#DEFINITION	Reference Metabolome for Schisandra chinensis
#IDENTTFIER	RefMeta-Schisandra chinensis.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Schisandra chinensis
#CREATION	07-JUN-2023
#PUBLICATION	RefMetaPlant: a reference metabolome database for plants across five major phyla
#JOURNAL	Nucleic Acids Research
#AUTHORS	Shi H, Wu X, Zhu Y, Chen P, Xu X, and Li X.
#COMMENT	Reference metabolome for Schisandra chinensis was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50326	18.0
70.01612	3.2
72.24310	2.9
81.07082	4.8
85.02915	3.2
153.03932	3.5
163.14798	4.6
221.19031	5.6
221.61290	3.1
238.06157	3.4
253.08646	3.7
256.07590	3.3
267.06561	4.0
280.10782	3.7
285.07571	5.0
291.10156	3.4
295.13321	6.2
299.09216	5.0
303.08582	6.3
304.09433	5.2
308.10382	4.2
309.11063	6.9
313.10699	5.1
317.10281	6.5
318.11014	7.0
323.12805	10.5
327.15826	4.4
331.11771	4.4
345.13229	3.8
355.15384	27.0
356.16010	7.4
387.18015	100.0
388.18344	4.4
420.52475	3.0
439.71820	3.6
469.52667	3.0
549.23242	62.2
550.24054	4.7
566.23853	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.5986
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04999	9.7
72.93139	4.1
73.02934	4.9
79.05496	78.6
81.03416	11.5
81.07056	86.1
83.04982	10.2
83.08618	16.4
83.74014	4.2
85.02901	24.3
85.06557	5.9
86.09702	9.5
89.20223	4.0
91.03981	5.7
91.05482	92.7
92.05806	6.3
93.07044	100.0
95.04971	13.3
95.08614	59.7
97.02911	16.6
97.06542	12.7
97.10177	8.1
99.08092	6.6
105.07030	89.4
107.04940	10.5
107.08603	39.4
109.02902	6.3
109.10145	21.0
111.08069	7.1
115.05456	8.0
116.06213	4.8
117.07041	35.5
119.08582	65.8
121.06516	5.3
121.10137	26.8
123.08064	8.3
125.00031	4.7
125.09621	6.2
127.03898	9.2
128.06238	8.6
129.07016	27.0
131.08582	49.1
133.10123	43.4
134.10503	5.3
135.08070	8.1
135.11705	18.6
141.06998	10.2
142.07713	7.1
143.08536	24.6
145.04979	5.2
145.10114	46.4
147.08025	4.9
147.11679	30.3
149.09567	5.8
149.13283	14.5
151.11148	4.9
155.08556	17.2
157.10123	21.9
159.11726	32.7
161.09628	5.3
161.13300	15.7
163.11215	5.8
167.08553	5.3
169.10141	17.0
171.11707	19.5
173.13283	17.1
175.11227	5.1
175.14824	9.4
177.12770	5.5
179.08507	4.8
181.10153	15.8
183.11739	12.9
184.07368	25.8
185.13257	15.2
187.14832	11.1
187.27850	4.6
189.16360	4.3
195.11690	12.1
197.13219	12.4
199.14836	9.9
209.13292	11.2
211.14975	6.7
213.16354	6.4
223.14792	6.8
237.16524	4.3
241.19638	6.2
257.19196	5.1
259.20541	18.3
261.22049	5.4
269.17352	6.1
273.18530	6.8
275.20111	6.9
291.19421	8.8
293.21136	5.5
294.98148	4.3
313.21451	4.4
333.24295	25.7
335.25751	14.2
350.19086	4.3
376.86670	4.2
490.93359	4.9
513.35803	10.1
527.37177	14.5
535.41638	6.5
551.01721	4.2
607.43298	7.1
609.45178	43.0
625.44183	11.6
821.90796	5.1
897.15308	5.3
1002.55505	6.7
1003.55304	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05499	6.0
81.07059	5.8
83.04968	2.1
83.67716	1.6
91.05463	13.3
93.07037	5.2
95.04942	2.8
95.08613	3.8
105.07035	7.8
107.04964	2.3
107.08586	5.2
109.06500	2.8
111.04444	2.1
115.05440	2.1
117.07034	5.8
119.08571	12.1
121.06530	3.2
123.08040	3.5
128.06181	3.8
129.06987	10.1
130.07732	1.8
131.08559	9.6
133.06490	3.4
133.10130	7.3
135.08041	6.9
141.06985	4.3
142.07796	6.0
143.08578	11.6
145.06488	3.4
145.10114	11.4
147.08040	24.2
147.11670	3.3
152.06137	1.9
153.07019	3.1
154.07782	2.5
155.08524	12.1
156.09314	4.0
157.06487	6.2
157.10107	9.5
158.07268	2.1
159.08017	8.4
159.11656	3.1
161.09624	7.6
165.06976	4.0
165.09158	5.2
166.07814	2.5
167.08582	8.7
168.09404	2.5
169.10120	12.7
171.08081	4.9
171.11674	5.8
173.09631	7.0
173.13254	3.9
175.07578	9.4
177.09146	4.1
179.08578	7.2
181.10077	7.7
183.08005	5.3
183.11687	4.2
185.09555	3.9
185.13231	3.7
187.07513	2.3
189.09126	4.1
192.09250	2.3
193.10147	6.0
194.10985	2.9
195.08015	5.8
195.11713	6.0
196.08809	1.8
196.12468	1.7
197.09618	8.5
197.13295	3.2
199.11208	7.5
199.14905	2.5
201.09134	6.8
203.08629	1.9
205.10286	2.0
207.08119	2.1
207.11694	4.4
208.08658	2.1
208.12492	1.9
209.09566	7.6
209.13261	6.0
210.10480	2.0
211.11208	5.6
211.14870	5.4
213.09062	2.1
219.10144	4.9
221.09566	4.2
221.13303	4.5
222.10439	1.9
222.14133	2.5
223.11191	5.4
223.14775	2.0
225.12723	2.4
231.11554	2.1
233.09808	1.8
235.11168	3.0
235.14832	2.3
237.12769	6.6
238.13478	2.0
239.10608	5.8
239.14291	9.1
245.13477	2.2
246.10472	2.1
247.11229	3.5
248.11934	1.9
249.12691	3.8
251.14348	4.0
253.15755	2.2
257.15433	4.0
259.11111	2.2
261.12585	2.8
263.14316	2.4
265.15860	6.3
273.12650	2.9
275.14383	3.3
277.15878	3.5
279.13885	2.1
281.15582	2.2
283.17001	1.8
290.16519	1.7
307.35504	1.5
313.15900	3.4
341.19080	1.8
373.21805	4.0
383.23633	2.1
391.22430	12.6
393.22070	2.5
397.17804	2.3
407.22021	2.3
409.23523	8.7
411.18173	3.7
411.23300	7.9
415.18484	3.1
415.23187	2.5
421.21643	4.6
429.24399	14.5
431.25916	2.6
432.22705	3.3
439.22690	18.1
440.23099	3.1
442.21732	2.1
447.25278	27.9
448.26239	1.7
449.22531	2.1
457.17212	2.1
457.23688	43.3
458.23999	3.7
460.22537	3.5
475.24799	100.0
476.25488	7.5
493.18741	1.9
493.25919	25.2
691.90137	1.8
969.54889	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04935	0.5
74.90033	0.3
77.03813	0.5
79.05401	2.8
81.06963	4.0
83.04889	9.5
83.08559	0.4
91.05483	4.4
93.07041	6.8
95.02746	0.3
95.04963	2.0
95.08612	7.2
95.09145	0.5
97.06436	1.0
99.04377	0.3
101.52837	0.3
103.05397	0.6
105.07027	5.7
107.04869	0.4
107.08595	2.9
109.06526	1.7
109.10047	1.0
111.04447	6.6
111.08089	2.9
113.05942	0.4
115.05338	1.2
116.06158	0.4
117.07041	2.1
119.08582	7.5
121.06473	2.4
121.10041	1.3
123.07956	1.5
125.04141	0.4
128.06201	2.1
129.06999	3.5
130.07767	0.4
131.04878	0.4
131.08569	5.0
133.06430	0.9
133.10129	4.7
135.08051	3.3
135.11627	0.7
137.05975	3.0
139.07445	1.5
141.06999	2.4
142.07780	2.2
143.08569	4.9
144.09204	1.1
145.06367	1.6
145.10132	4.1
147.08022	1.7
147.11681	2.1
152.06151	0.6
153.07011	1.9
154.07767	3.1
155.08546	9.2
156.09326	2.6
157.06395	1.1
157.10135	4.6
158.07228	0.7
159.08044	2.2
159.11716	2.8
161.09486	0.9
161.13216	0.6
163.07538	0.4
165.06998	2.5
166.07681	1.2
167.08565	3.4
168.09236	1.4
169.06441	0.5
169.10141	10.6
170.10744	1.0
171.08136	2.1
171.11671	4.6
172.08807	0.7
173.09610	3.1
173.13168	0.8
175.11090	1.2
178.07785	1.7
179.08556	5.4
180.09167	1.3
181.06403	0.7
181.10115	3.5
182.07158	0.7
182.10788	1.2
183.08127	0.9
183.11681	3.8
184.12367	0.5
185.09653	1.6
185.13307	1.7
186.10251	0.5
187.11200	2.9
189.09064	0.6
189.12579	0.6
190.07674	0.6
191.08435	1.5
192.09326	3.8
193.10130	5.3
194.10855	2.0
195.08020	2.6
195.09607	0.4
195.09962	0.4
195.11679	5.1
196.08745	0.5
196.12308	1.0
197.09616	8.2
197.13278	2.3
198.10074	0.6
198.13498	0.3
199.11050	1.1
199.14728	0.6
201.08849	0.5
201.12610	0.4
202.07710	0.7
203.08372	1.4
204.09209	1.5
205.10117	3.5
206.10905	3.5
207.07986	0.4
207.11702	8.6
208.08755	0.6
208.12308	1.4
209.09685	2.0
209.11685	0.3
209.13243	4.1
210.10313	0.8
210.13771	0.6
211.07538	0.4
211.11102	1.6
211.14708	1.2
213.09001	0.8
213.12680	0.8
215.08502	1.5
215.10590	5.2
216.09196	1.3
217.10089	2.6
218.10883	2.2
219.08041	0.8
219.11682	5.5
220.08824	0.7
220.12451	2.5
221.09859	1.7
221.13277	5.3
222.10233	0.8
222.13892	0.6
223.11185	2.7
223.14680	1.1
224.11722	0.4
225.08995	0.7
225.12595	1.5
227.10672	0.4
227.14230	1.0
228.09251	0.6
229.10037	3.1
229.12198	0.7
230.10931	3.2
231.08040	0.8
231.11716	4.8
232.08801	0.8
232.12450	2.7
233.09473	1.2
233.13301	4.9
234.10179	1.1
234.13876	1.2
235.11104	2.2
235.14825	2.8
236.11790	0.6
237.12691	2.7
237.16315	0.6
239.08421	0.4
239.14250	0.6
241.09976	0.7
241.12111	0.5
242.10805	1.5
243.11684	4.1
243.13916	0.6
244.08772	0.4
244.12437	4.7
245.09644	1.3
245.13124	5.7
245.15425	1.2
246.10376	1.0
246.13895	1.8
247.11211	3.0
247.14821	3.1
248.11758	1.0
248.15440	0.8
249.12772	3.8
249.16278	1.6
251.10542	0.7
251.14185	0.7
253.09917	0.5
253.12180	1.2
254.10710	0.4
255.11530	1.2
255.13806	2.1
256.12335	1.7
257.09476	0.5
257.13162	3.7
257.15512	0.5
258.10364	0.9
258.13977	3.7
259.11148	1.7
259.14807	7.7
260.11908	0.6
260.15546	2.5
261.12766	2.8
261.16318	3.0
262.13400	1.5
263.10583	0.8
263.14215	1.7
263.17752	0.7
265.12234	1.9
265.19559	0.5
267.13803	1.8
268.12442	0.9
269.13266	2.4
270.14017	2.1
271.11157	1.5
271.14700	3.6
272.11914	1.3
272.15503	2.0
273.12708	1.8
273.16287	5.4
274.13297	0.6
274.17047	1.3
275.11111	0.4
275.14670	2.5
275.17737	2.8
276.15146	0.5
276.18533	1.0
277.12195	1.3
277.15799	2.9
277.19113	0.6
278.16513	0.4
279.13812	0.8
280.12317	0.4
281.12949	0.6
283.11340	0.7
283.14728	1.6
284.11893	0.9
284.15475	1.7
285.12677	1.8
285.16302	3.4
286.13443	1.7
286.16931	1.1
287.14224	3.4
287.17789	1.8
288.14883	0.5
289.12372	0.6
289.15765	1.3
289.19458	1.6
291.14053	0.9
291.17395	3.8
292.17877	0.6
293.15533	0.4
293.18945	0.9
297.12778	0.8
297.16046	0.7
298.13403	0.9
298.16913	0.8
299.14191	1.9
299.17816	3.0
300.15012	1.4
300.18591	2.4
301.15793	3.9
301.19443	2.2
302.13251	0.4
302.16525	1.9
303.13757	1.1
303.17331	2.6
303.20975	1.1
304.14456	0.7
305.15472	2.0
305.18631	0.5
309.12823	0.7
309.18674	0.8
310.16983	0.5
311.14328	0.6
311.17917	0.7
312.15063	0.9
313.15707	1.6
313.19458	1.3
314.16672	0.6
314.20303	1.3
315.17410	1.5
315.20984	0.9
316.18213	0.7
316.21826	0.9
317.15366	0.8
317.18854	0.7
318.15555	0.4
319.16983	4.3
320.17517	1.2
321.18396	1.3
323.20270	0.8
325.15796	0.5
325.19287	0.5
327.17349	4.9
328.17883	0.6
329.15570	0.7
329.18961	1.9
331.16867	1.0
331.20502	1.9
334.19339	0.4
337.17963	1.4
340.18240	0.4
341.18912	1.3
342.19775	2.9
343.20596	0.7
345.18451	3.3
346.18680	0.4
347.20157	0.7
349.21600	1.7
359.19989	1.0
360.20654	1.9
375.23276	0.7
383.19983	0.5
385.17715	0.6
395.23645	0.7
397.21671	1.1
398.22690	0.4
399.23254	6.4
401.21179	1.5
405.21930	0.5
413.19827	0.6
413.24826	8.0
414.25247	0.9
415.26514	14.4
416.26569	1.2
417.24313	9.8
418.24539	1.0
419.22241	0.8
423.23175	4.4
431.25815	6.4
432.25760	0.6
433.27423	12.6
434.27600	0.9
441.24243	47.2
442.24597	4.2
459.25299	100.0
460.25626	9.4
477.26370	40.8
478.26746	3.0
495.27390	2.4
707.86163	0.4
906.66180	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
70.09702	2.9
72.72054	0.8
75.33382	0.8
78.63366	0.8
79.47548	0.8
82.99826	4.0
83.01512	2.8
84.01190	1.9
96.35735	0.8
101.00878	41.6
101.02538	6.2
102.00973	2.7
102.02216	4.1
118.03519	1.1
118.97149	0.9
119.01917	100.0
119.03666	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.0
55.36731	0.4
55.91537	0.5
56.50012	0.4
56.96535	0.5
58.96175	0.8
58.99877	0.6
60.00637	0.4
60.04522	0.4
69.60368	0.8
69.60771	1.6
70.78983	0.4
82.99840	4.3
83.01517	0.6
83.04983	0.7
85.02904	2.3
85.86491	0.5
98.23385	0.5
100.02499	0.7
100.97179	0.4
101.00882	38.1
101.02539	1.5
102.00951	2.0
102.02226	0.7
106.04771	0.4
119.01920	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0602
Annotation	2-Ethylacrylic acid
Peak:m/z	Relative Intensity
53.03942	2.8
55.01880	0.8
55.05513	100.0
56.05846	2.4
57.03439	33.2
57.07073	1.7
58.03753	0.8
58.96169	1.1
59.05001	23.6
60.04515	0.9
69.03421	2.0
71.02699	0.8
73.02912	1.0
73.06556	50.9
74.06065	1.6
74.06898	0.8
79.59167	0.5
83.04986	12.0
94.57587	0.5
101.06017	50.6
101.07891	1.2
101.11597	1.9
102.05550	0.6
102.06315	0.7
102.09164	2.2
114.02377	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1010.5984
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30670	2.1
79.05508	2.7
81.07054	5.9
83.04985	4.4
91.05493	4.3
93.07035	6.7
95.08609	9.6
95.52963	1.4
97.48138	1.5
101.27238	1.6
105.07047	5.6
107.08600	5.7
107.26128	1.3
109.06536	2.9
109.10171	1.9
111.04456	4.0
111.08105	3.3
117.07023	2.6
119.02856	1.4
119.08566	8.3
121.06491	1.6
121.10174	1.8
123.08136	1.9
129.07037	1.7
131.08586	5.4
133.10114	7.5
135.07982	2.6
137.05988	4.5
139.07558	2.4
142.07838	3.9
143.08574	6.8
145.06532	1.8
145.10162	7.4
147.11717	3.0
149.09581	1.6
155.08565	10.4
156.09335	2.4
157.10115	7.5
159.08054	2.7
159.11728	3.9
161.09605	3.5
166.07753	2.3
169.10107	7.5
171.11694	6.4
173.09651	3.0
175.11185	1.4
179.08621	3.7
181.06453	1.4
181.10120	7.1
183.11716	5.2
185.09581	3.6
185.13350	1.6
187.11206	4.0
193.10228	3.5
194.10976	2.3
195.11707	5.4
197.09695	5.2
197.13286	3.4
205.10149	2.0
206.10826	2.4
207.11691	9.9
208.12396	1.7
209.13254	5.3
215.10663	9.3
219.11765	4.2
221.13234	10.7
223.11302	3.0
223.14809	3.5
233.13261	4.5
234.13858	1.9
235.11189	2.9
235.14839	4.9
236.76826	1.6
237.12692	1.6
239.14381	2.5
244.12558	2.3
245.13165	5.2
245.15440	3.2
247.14749	3.5
249.12718	3.1
249.16463	2.2
251.14394	2.8
255.13817	1.6
258.49573	1.6
259.14786	3.1
260.15335	1.4
261.12738	1.9
261.16483	2.6
263.14230	3.6
263.17987	3.5
267.13809	3.8
269.15488	3.6
273.16278	3.0
275.17786	1.8
277.15948	2.7
281.15268	2.1
287.14316	3.3
287.17776	2.8
295.16803	1.8
301.15900	3.7
301.19513	1.8
302.16785	1.7
303.17413	2.3
305.15579	2.1
305.18997	4.0
323.20047	5.8
327.17297	2.2
331.20532	2.4
342.19846	3.1
345.18222	2.1
360.21069	2.0
399.23279	2.4
403.26373	4.9
413.24872	4.9
415.26413	2.2
417.27832	2.7
419.29474	3.5
423.23383	2.7
427.26645	3.6
431.25751	4.6
441.24222	29.6
442.24591	2.1
445.27451	16.9
446.27301	2.2
459.25314	83.2
460.25693	6.1
463.28418	100.0
464.28650	8.3
477.26389	23.1
481.29431	6.7
517.25677	14.1
966.27576	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1010.5991
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05486	1.8
81.07068	2.9
82.21651	0.7
83.04990	5.8
85.06538	1.0
91.05478	3.7
93.07041	5.5
95.04975	2.7
95.08607	7.4
101.69606	0.7
105.07037	3.4
107.04933	0.8
107.08593	3.4
109.06472	1.0
109.10195	1.7
111.04469	3.5
111.08070	4.2
113.05997	0.8
117.06989	1.0
119.08581	6.3
121.06521	0.9
121.10136	1.7
123.08089	0.9
128.06224	1.0
129.07001	3.8
131.08568	3.4
133.10175	5.0
135.11693	1.3
139.03929	1.1
139.07555	2.3
141.07004	1.8
142.07759	3.8
143.08543	3.6
145.10121	2.8
147.08086	1.1
147.11719	1.4
155.08540	5.0
156.09335	3.0
157.10130	12.9
158.10719	0.8
159.07993	1.3
159.11714	2.9
161.09651	1.1
165.06998	1.1
167.08629	1.8
169.10072	5.4
170.10870	1.1
171.08063	0.8
171.11726	7.4
173.09634	1.2
173.13258	1.6
175.11201	1.2
179.08597	2.4
180.09322	0.9
181.10127	3.6
183.11729	2.6
185.13359	1.0
187.11284	1.1
189.12860	1.1
192.09335	1.3
193.10149	2.7
194.10849	1.8
195.11708	5.0
196.12572	1.1
197.09677	1.4
197.13289	3.7
198.13820	0.7
199.11143	5.9
204.09302	0.8
205.10185	1.7
206.10901	2.1
207.11667	4.7
208.12433	1.4
209.13295	7.0
211.11166	0.7
211.14856	2.4
217.10307	1.7
217.12236	11.4
218.10883	1.1
219.11719	4.3
220.12509	1.1
221.13275	3.9
223.11351	1.3
223.14830	3.3
225.12729	1.3
227.10585	0.8
230.10910	0.7
231.11696	2.6
232.12463	2.1
233.13278	4.2
234.13887	1.3
235.14894	2.6
237.12758	1.7
237.16487	1.1
239.14383	0.8
245.13261	3.6
245.15453	2.2
246.14066	3.0
247.14854	5.4
248.15494	0.7
249.12976	1.2
249.16356	1.9
251.14340	1.1
255.13863	1.1
257.13287	1.5
258.13962	1.1
259.14914	4.0
260.15692	1.5
261.16357	5.4
262.17175	1.2
263.17926	1.5
267.13849	2.0
269.15482	0.9
272.15662	1.0
273.16479	2.0
274.17172	0.9
275.14709	0.8
275.18021	1.9
276.18698	0.9
285.16370	0.9
287.17996	4.4
289.16092	1.1
289.19595	1.5
291.13870	1.0
291.21146	1.0
293.15375	1.0
295.17169	1.1
301.16217	0.9
301.19617	1.6
302.20169	1.3
303.17661	1.1
303.21033	1.7
305.15295	0.8
307.16830	1.4
319.17053	1.3
321.18607	2.6
323.20218	1.0
329.18961	1.1
345.18353	0.9
347.20175	2.2
349.21713	1.0
361.21606	1.8
362.22266	1.3
375.19312	0.9
387.19745	1.2
397.25772	0.8
401.24777	76.2
402.25092	5.4
405.20557	4.6
407.43655	0.8
415.26279	4.0
417.27811	9.4
419.26224	1.3
425.24716	2.5
435.25632	1.3
443.25827	25.1
444.26135	1.9
461.26883	100.0
462.27432	5.3
479.27969	17.8
497.29221	1.1
685.34161	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1010.598
Annotation	Unknow
Peak:m/z	Relative Intensity
75.18412	1.5
79.05502	2.9
81.07048	3.1
83.04988	3.6
91.05453	3.4
93.07041	3.4
95.08589	8.0
105.07017	4.0
107.08620	4.1
109.06508	2.8
111.08068	2.0
119.08560	3.9
121.10168	1.9
123.08099	2.4
128.06276	1.7
129.07010	2.6
131.08536	2.8
133.10172	3.2
134.25586	1.6
137.05995	3.4
140.04749	1.8
143.08615	3.7
145.10155	3.1
147.11734	2.0
153.07066	1.9
155.08554	6.7
157.10092	5.0
159.11749	3.1
161.09532	2.2
169.10153	6.0
171.11749	3.9
179.08569	3.5
181.10152	3.9
185.09639	2.8
193.10184	4.9
194.10977	2.5
195.11713	3.0
197.09621	2.9
197.13242	2.7
203.08495	1.7
205.10030	1.9
206.10867	3.4
207.11719	7.6
209.13330	5.5
218.10883	3.0
219.11800	3.9
220.12415	2.1
221.09531	1.8
221.13326	6.6
223.11166	2.8
223.70938	1.9
231.11786	1.7
232.12408	3.4
233.13274	4.2
235.14749	2.4
237.12750	3.5
237.16409	2.1
245.13159	3.2
247.11043	1.9
247.14803	3.2
248.11903	2.5
248.15083	1.6
249.12791	5.0
249.16261	2.3
251.14317	1.8
257.13193	1.9
259.15054	1.7
260.15555	1.9
261.16534	5.0
263.14340	4.0
267.13748	3.5
273.12924	2.8
273.16016	2.9
275.14365	2.3
275.17966	2.8
277.19449	2.2
279.17480	1.8
289.16159	1.9
303.17416	7.3
307.17056	1.8
321.18594	5.2
329.18839	3.1
374.36316	1.8
401.24823	16.5
415.26443	9.1
417.27957	17.5
428.29312	1.6
443.25775	52.1
444.25803	4.6
461.26868	100.0
462.27249	10.0
470.62338	2.0
479.27930	23.3
767.08148	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05474	0.3
81.07050	0.3
88.90905	0.2
89.64938	0.3
102.33958	0.3
105.07049	0.4
120.75880	0.3
121.08383	0.3
139.03900	0.7
142.31166	0.3
163.03961	0.4
250.94023	0.3
323.66882	0.2
385.16559	0.3
415.22385	0.3
423.03677	0.3
455.25430	1.5
473.26816	0.4
481.23807	0.4
499.24542	10.8
500.24890	1.2
517.25586	100.0
518.25922	9.4
597.30194	0.3
638.20947	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.5225
Annotation	Unknow
Peak:m/z	Relative Intensity
73.81778	0.1
78.98299	0.1
92.88658	0.1
94.57759	0.1
95.07954	0.1
95.21754	0.1
101.04311	0.2
133.02623	0.5
147.84615	0.1
147.95360	0.2
267.13651	0.3
333.18152	0.3
347.16156	0.3
363.19305	0.2
365.17294	3.0
374.01746	0.2
397.21292	0.7
421.21478	0.3
437.24524	2.5
453.24127	0.5
455.25623	3.1
456.25977	0.2
471.25244	0.4
473.26651	0.7
481.23456	3.5
482.23599	0.2
499.24554	9.3
500.24512	0.8
517.25604	100.0
518.25940	9.7
553.19196	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1012.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30428	0.6
79.05497	8.7
80.48517	0.4
81.03368	0.7
81.07058	31.5
83.04983	14.8
84.62783	0.4
85.02914	0.8
91.05482	16.2
93.03410	0.7
93.07042	2.0
95.04966	7.2
95.08609	3.7
97.02898	1.5
97.06525	1.5
99.04467	0.7
103.05472	1.8
105.04540	0.8
105.07034	10.1
107.04975	2.5
107.08591	1.8
109.02857	2.4
109.06520	12.7
109.10175	0.4
110.06861	0.5
111.04443	3.3
111.08089	0.6
115.05474	1.7
117.07012	1.8
119.04948	22.5
119.08546	2.3
121.02895	0.9
121.06506	1.5
123.04437	2.4
123.08068	4.4
125.05978	0.8
125.09658	0.5
128.06203	1.9
129.05470	1.0
129.07002	2.4
131.04968	1.1
131.08577	2.6
133.06483	11.0
133.10077	0.7
135.04427	0.7
135.08018	1.4
137.05978	39.5
138.06308	0.5
139.03902	2.5
139.07509	1.1
141.06982	1.9
142.07765	0.8
143.04881	0.7
143.08566	2.0
144.05681	1.0
145.06470	4.5
145.10112	0.9
147.04408	100.0
147.08015	3.9
148.04736	2.7
149.05975	1.1
149.09589	0.6
151.07541	1.9
152.06163	0.7
153.05522	0.4
153.07001	1.2
154.07793	0.7
155.07246	0.6
155.08557	2.0
157.04974	1.5
157.06494	2.4
157.10179	1.3
158.07330	0.4
159.04410	0.5
159.08034	3.7
159.11664	0.5
161.05975	17.0
161.09575	1.4
163.03934	0.7
163.07556	1.0
165.05492	2.0
165.07037	1.9
166.07832	1.1
167.07213	0.9
167.08586	1.6
169.06497	2.0
169.10153	1.4
170.07265	0.5
171.08061	5.3
173.06013	1.4
173.09610	2.3
175.06056	0.8
175.07555	1.6
177.09047	1.0
178.07790	1.8
179.07124	0.8
179.08524	2.6
180.09334	0.6
181.06483	2.1
181.10094	1.8
182.07303	0.9
183.08090	3.6
183.11700	0.7
184.07341	0.8
184.08870	0.6
185.06023	0.9
185.09605	2.2
185.47574	0.4
187.07510	2.5
189.09088	1.0
191.06992	0.8
191.08569	2.0
192.09314	2.0
193.08615	0.9
193.10152	3.4
194.07283	1.2
194.10887	0.5
195.08087	3.3
195.11708	1.4
196.08803	0.8
197.05983	0.8
197.09662	2.6
199.07472	1.8
199.11223	1.2
201.09154	1.5
202.07852	1.0
203.08577	1.9
204.09328	1.3
205.06668	0.8
205.10127	2.8
206.10938	0.7
207.08084	1.8
207.11665	3.3
208.08792	0.9
209.09605	4.2
209.13174	0.9
210.10228	0.5
211.07556	1.9
211.11212	2.3
213.09087	1.1
215.08646	1.0
216.09398	1.0
217.10164	2.3
218.10899	2.2
219.08018	1.9
219.11736	2.4
220.08788	2.4
220.12283	0.6
221.09636	5.0
221.13161	1.2
222.10274	0.8
223.07556	1.3
223.11246	2.3
225.09111	2.0
225.12688	1.0
227.07039	0.6
227.10674	1.4
229.10298	1.1
230.10930	1.1
231.08073	1.0
231.11702	1.8
232.08815	1.5
232.12407	0.5
233.09656	3.4
233.13232	1.0
234.10403	1.7
235.07552	0.8
235.11162	6.9
236.11909	2.0
237.09142	2.5
237.12752	3.1
238.09700	1.0
239.10681	1.5
239.14325	0.7
242.10851	1.2
243.11732	1.0
245.09688	3.6
245.13310	1.1
246.10402	3.8
247.11194	2.9
247.14841	2.2
248.08302	1.0
248.11861	1.0
249.09093	2.7
249.12756	2.3
250.09962	0.9
250.13411	0.7
251.06865	0.5
251.10658	3.2
251.14211	1.0
253.12273	2.8
255.10078	2.0
256.12500	0.7
257.06769	0.6
257.10001	1.3
257.13364	2.3
258.10370	0.8
258.13873	0.7
259.11197	2.4
259.14786	0.6
260.11905	1.3
261.09171	1.0
261.12726	3.8
262.09811	0.7
263.10684	6.1
263.14230	2.9
264.11337	3.0
265.08698	0.8
265.12231	2.1
265.15802	2.4
267.10065	0.9
267.13858	0.6
270.10358	0.9
271.11093	0.6
271.14883	0.8
273.12741	3.5
274.13437	0.8
275.10709	1.3
275.14297	6.3
276.11646	0.8
277.12228	2.3
277.15408	0.6
278.13104	0.7
279.13828	3.1
281.11746	3.8
281.15186	1.0
282.12469	0.6
283.13477	0.8
285.13004	2.1
287.10876	0.8
287.14337	1.5
288.11423	0.7
289.12354	0.7
289.15738	1.6
291.10379	0.9
291.13788	3.7
291.17212	1.0
293.11740	1.5
293.15411	3.7
297.09625	1.4
301.11685	0.7
302.13065	0.6
303.13766	2.6
305.11707	1.9
305.15213	0.8
307.13458	1.0
307.16647	0.9
309.14932	1.8
309.18478	0.7
311.10196	0.5
311.16415	0.9
313.15668	0.7
315.13803	1.2
317.11972	0.8
317.15326	2.4
319.13364	0.8
321.09598	1.8
321.14804	1.1
323.12723	9.6
324.13336	0.5
325.14597	0.7
325.17963	0.6
326.12915	0.5
327.13611	0.8
331.13394	0.5
331.16895	0.9
333.14850	1.7
335.16397	3.4
340.14508	0.7
341.14603	1.5
343.13049	0.9
345.14685	1.5
347.16431	0.6
351.15970	2.6
353.17590	4.2
355.16779	1.9
357.14905	1.5
359.16586	2.3
361.14297	1.2
369.15186	0.6
369.16733	0.6
371.12469	0.6
373.17996	4.1
375.15936	2.2
377.17532	1.1
383.16312	3.8
384.17001	0.7
387.15842	1.6
391.18900	2.7
397.17914	0.5
399.19431	1.3
401.17520	10.4
402.17438	0.5
403.15125	2.1
405.16830	0.9
409.20425	0.6
415.18680	1.2
417.20605	1.8
419.18509	10.6
425.17334	1.6
429.17087	0.8
433.20169	0.7
435.12747	1.4
435.22052	0.9
437.19650	2.4
443.18530	5.5
447.17789	1.3
461.19519	7.4
465.18509	0.6
475.15857	2.0
479.20706	2.4
497.21625	0.6
519.21387	0.9
537.22546	1.2
547.21100	2.0
555.23615	1.1
561.22656	0.8
565.22162	6.7
566.22186	0.7
579.24518	0.6
581.25073	0.7
583.23181	6.5
584.23328	0.9
589.21411	0.6
599.26599	0.7
601.23822	1.7
607.23206	2.4
625.24054	2.4
643.25128	1.9
663.25854	0.5
693.27307	0.7
711.28210	3.5
713.27423	0.8
721.26221	2.0
722.26947	0.5
729.28735	3.3
739.27466	18.0
740.28271	2.8
747.29950	0.9
753.28308	1.0
755.30188	2.6
757.28503	26.9
758.28723	3.6
759.25684	0.6
763.27441	1.3
771.30383	3.7
773.31555	4.9
774.30579	0.6
775.29639	6.7
776.29358	0.8
781.28662	5.3
782.28143	0.5
789.29767	0.6
791.31897	0.6
799.29535	10.2
800.30090	0.7
813.30457	0.8
817.30713	10.8
818.30194	1.3
821.31555	1.1
835.32324	2.5
839.32831	3.1
855.33960	0.6
857.33759	4.6
858.34753	0.7
899.33966	1.3
917.36151	2.7
918.35724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1012.6132
Annotation	Unknow
Peak:m/z	Relative Intensity
73.47027	1.7
79.05501	3.3
81.07056	9.3
83.04991	12.0
91.05483	6.3
92.18623	1.7
93.07031	11.4
95.04993	4.0
95.08609	16.8
98.22639	4.0
105.07027	10.8
107.08600	8.4
109.06540	5.0
111.04474	5.7
111.08086	5.7
117.06984	3.3
119.08580	12.5
121.10170	3.5
123.08096	2.6
129.07002	3.7
131.08566	4.0
133.10161	6.9
135.08101	2.9
139.07574	3.1
141.07057	2.9
142.07793	4.9
143.08585	7.2
145.06471	2.1
145.10126	7.7
147.08083	2.8
154.07707	2.1
155.08510	11.3
156.09312	3.2
157.10121	17.8
158.10478	2.2
159.08069	4.3
159.11726	2.9
161.09657	3.2
165.07048	3.2
167.08553	4.9
168.09271	3.0
169.10129	7.6
171.11710	7.9
173.09589	2.9
173.13213	2.5
175.11153	3.2
179.08543	5.3
180.09242	2.6
181.10089	8.3
183.08014	1.7
183.11729	8.0
185.13225	4.5
187.11218	3.9
193.10172	8.5
194.10945	5.0
195.11662	7.7
196.12404	3.9
197.09615	2.7
197.13266	6.4
199.11211	7.4
203.08664	2.8
205.10185	3.9
206.10861	7.2
207.11725	11.5
207.13486	1.9
208.12325	3.6
209.09697	2.1
209.13257	14.9
210.13846	4.4
211.14864	2.6
217.10368	2.2
217.12193	8.4
218.10611	2.9
218.12601	2.1
219.11674	9.4
221.13289	12.8
222.13770	4.2
223.14851	6.3
224.15456	2.7
231.11736	6.3
232.12483	4.1
233.13132	9.4
234.13824	2.4
235.11171	2.3
235.14848	5.5
237.12791	3.5
237.16296	3.0
238.13475	1.9
239.14311	3.8
245.13268	4.7
245.15491	3.6
246.13974	4.0
247.14787	9.4
248.15512	2.8
249.12672	3.7
249.16347	5.1
251.14326	3.4
251.17848	2.7
255.13814	2.4
255.36650	1.8
258.13852	2.3
259.14780	5.1
260.15652	2.7
261.16357	9.0
262.17053	4.1
263.14313	3.4
263.17957	6.4
265.15961	1.8
267.13919	3.9
269.15448	2.4
270.37347	2.1
273.16394	3.7
274.16983	2.9
275.17825	5.5
277.15616	2.0
277.19385	1.7
279.17371	1.8
287.17987	6.4
289.19583	3.9
290.16269	2.2
291.20914	1.9
293.15164	2.1
295.16815	3.2
303.17551	3.5
303.21060	4.9
305.19016	5.0
306.16150	2.4
321.18393	4.0
323.20224	2.5
347.20126	2.2
349.21548	2.5
361.21609	2.8
401.24762	100.0
402.25082	24.5
403.25919	8.5
415.26212	2.9
416.26505	2.0
417.27985	10.1
418.28345	2.2
419.25690	26.5
420.26208	7.4
421.26251	2.3
425.24594	3.1
427.26254	3.2
443.25867	22.3
444.26163	6.2
445.27200	16.0
461.26843	81.0
462.27338	23.7
463.28381	99.3
464.28897	11.7
479.27911	24.3
480.28439	4.2
481.29132	7.7
497.28903	6.0
513.96918	2.0
517.25586	7.6
519.27014	10.6
657.78796	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1014.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01344	0.3
71.04424	0.2
71.04993	0.3
71.30581	0.4
77.86023	0.2
79.01858	0.2
79.05061	0.4
79.05489	4.2
81.03416	0.3
81.07056	5.1
83.04984	1.2
83.08616	0.7
85.02911	0.3
85.06542	0.2
91.05483	2.4
93.03413	1.0
93.07043	4.6
95.04966	1.1
95.08046	0.3
95.08611	4.0
97.02899	0.9
97.06534	0.4
97.10168	0.7
100.92449	0.2
103.05445	0.4
105.04513	0.2
105.07037	2.1
106.26950	0.2
107.04943	0.5
107.08573	1.9
109.06532	0.5
109.10149	1.8
111.04441	6.2
115.05454	0.7
117.07016	0.8
119.04915	0.3
119.08585	1.3
121.02882	0.7
121.06488	0.2
121.10144	2.0
123.04423	2.6
123.08105	0.3
123.11727	0.4
125.09649	0.4
127.03901	1.0
129.07036	0.6
131.04941	0.4
131.08591	1.1
133.06447	0.2
133.10109	1.2
135.04404	0.8
135.11737	1.3
137.05966	0.3
137.09564	0.2
139.03899	100.0
140.04243	2.2
141.05476	0.7
141.07002	0.5
143.04831	0.2
143.08565	0.5
145.06505	0.4
145.10153	0.7
147.04419	0.4
147.11673	0.8
149.05997	1.4
149.13239	0.7
151.03902	3.3
153.05492	0.7
153.06995	0.7
155.08513	0.5
157.06540	0.4
157.09999	0.2
159.04402	0.4
159.07961	0.3
159.11678	0.7
161.05983	3.2
161.13231	0.5
163.03905	21.1
163.07535	0.5
163.11264	0.2
164.04211	0.6
165.04268	0.2
165.05489	1.0
165.06898	0.3
167.08534	0.3
169.06508	0.3
171.07988	0.3
173.05991	5.5
173.13168	0.4
174.06454	0.3
175.03937	0.5
175.07568	0.8
175.11232	0.3
175.14798	0.3
177.05490	2.2
179.03368	1.6
179.07069	0.5
179.08560	0.4
181.04955	2.4
181.06471	0.8
183.08096	0.5
185.05965	0.7
187.03955	0.6
187.07539	3.9
188.07787	0.2
189.05495	1.1
191.03380	0.2
191.07034	0.4
193.04878	0.3
195.08084	0.7
197.06012	0.8
197.09497	0.2
198.06673	0.2
199.07567	2.8
201.05533	1.2
201.09058	1.2
203.07135	0.2
205.04953	5.0
210.06703	0.3
211.07535	1.9
213.05467	0.8
213.09077	1.6
215.07024	1.3
215.10704	0.2
217.04956	0.7
219.08180	0.2
223.07584	1.1
223.13153	0.2
224.48445	0.2
225.05255	0.2
225.09135	0.8
226.06250	0.2
227.07051	0.9
227.10667	0.5
229.04927	0.9
235.05963	0.8
237.09088	0.6
239.10596	0.2
241.08585	0.3
243.21117	0.4
247.05916	1.1
249.08984	0.3
249.12659	0.2
251.07069	0.3
251.10678	0.3
251.14299	0.5
259.20587	0.6
261.22162	1.3
265.07043	1.0
265.12064	0.3
269.15323	0.4
273.18491	0.3
279.06540	0.3
279.13745	0.4
281.15359	0.2
283.08313	2.4
285.07559	0.3
285.14825	0.5
287.16486	0.6
291.13846	0.2
291.19550	2.1
293.15280	0.3
295.06015	1.5
297.07629	0.3
297.14783	0.8
299.16431	0.4
301.05780	0.3
301.09167	4.9
303.06604	0.3
308.06567	0.6
309.07529	0.8
309.14886	0.7
311.09155	0.3
311.16360	0.5
313.07031	1.8
313.14383	0.3
315.15906	3.4
316.16333	0.3
321.07538	0.7
321.14816	0.3
323.09171	0.4
323.16263	0.4
325.14404	0.8
327.15930	2.4
328.16217	0.3
333.24304	0.6
335.09277	0.5
335.25797	14.0
336.26089	0.8
339.15875	2.4
341.17731	0.3
345.16888	0.3
351.19611	0.2
359.18542	0.6
365.23212	0.8
383.18375	0.3
389.19470	1.6
399.25232	0.3
401.19699	0.9
413.19556	0.7
421.16434	1.7
429.17172	0.4
437.19681	0.3
447.17999	3.8
448.18060	0.3
465.19034	2.4
489.18799	0.2
495.20023	0.3
503.20383	0.5
513.19525	0.2
521.21570	1.0
539.22760	2.3
557.23657	0.4
557.35480	0.3
575.36597	0.2
581.36475	0.3
599.37091	0.3
611.20551	0.2
617.37726	0.4
631.40082	0.2
635.39392	0.3
647.39471	0.5
649.40936	2.3
655.41815	1.0
661.40979	1.8
662.41101	0.4
673.41174	0.9
677.39996	0.8
678.41461	0.2
679.42346	1.4
691.41656	0.9
755.41467	0.3
773.42236	1.7
774.41571	0.3
781.42957	0.3
799.44098	3.5
800.43939	0.5
802.49664	0.2
817.45361	2.7
818.44611	0.6
1015.50153	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1014.6299
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05496	1.2
81.07060	2.7
83.04983	1.9
85.06541	1.4
91.05483	3.0
93.07056	4.0
95.04950	0.6
95.08608	6.7
105.07023	4.2
107.08590	4.0
109.06523	1.6
109.10152	1.6
111.04441	1.8
111.08100	1.8
113.06004	0.6
117.07017	1.1
119.08558	5.9
121.10144	1.4
123.08073	2.4
128.06238	0.8
129.07039	2.0
131.08540	3.4
133.06535	0.7
133.10143	2.9
135.08087	2.4
135.11681	1.1
137.05934	0.7
139.07550	1.1
141.06955	1.1
142.07785	1.6
143.08609	4.1
145.10129	4.1
147.08029	1.2
147.11670	1.3
155.08620	3.7
157.10110	7.9
158.10646	0.8
159.08116	1.3
159.11722	5.1
161.09634	2.6
161.13341	0.9
163.11096	0.7
167.08536	1.4
169.10126	3.3
171.11703	5.0
173.09625	0.9
173.13293	1.9
175.11235	0.8
178.07794	1.1
179.08583	1.9
179.10751	0.9
180.09290	1.0
181.10118	4.0
182.11021	0.8
183.11674	4.5
185.09714	1.0
185.13312	2.1
187.11127	1.0
187.14856	0.8
189.12749	0.8
192.09438	0.9
193.10101	3.4
194.10875	1.1
195.11671	4.5
196.12370	1.1
197.09673	1.3
197.13264	3.9
198.13889	0.7
199.11205	1.6
206.10953	1.6
207.11703	10.2
208.12424	2.3
209.13222	6.8
210.13921	1.1
211.11411	0.7
211.14877	2.1
217.12311	1.1
219.11713	1.2
220.12518	1.0
221.13246	6.5
223.11177	0.9
223.14754	5.0
225.12720	1.3
225.16399	0.8
227.10719	1.6
228.80003	0.9
231.11844	0.9
233.13293	2.0
235.11203	1.2
235.14801	4.0
237.12788	1.2
237.16438	1.8
239.14352	1.3
241.12238	1.0
243.14003	0.9
245.13394	1.0
247.14899	1.7
248.15540	0.9
249.12848	2.1
249.16383	3.1
251.14360	2.4
253.12257	1.3
257.15356	1.2
261.16452	1.1
263.14404	1.3
263.17987	5.3
265.15921	1.3
265.19598	1.1
267.13776	6.5
269.15417	4.2
275.17960	1.2
277.15997	1.2
277.19470	1.1
281.15384	1.6
283.16919	2.2
293.15588	1.1
295.16989	1.5
297.18457	2.1
305.19043	2.8
309.18521	1.1
323.20099	9.3
324.20758	1.0
325.21552	1.9
349.21545	1.5
361.21780	1.0
363.23163	1.0
364.23999	0.8
371.20105	0.7
389.21121	1.8
399.27112	0.9
403.26349	19.1
407.22217	1.7
417.28067	2.7
419.29410	2.9
423.25174	1.0
427.26202	1.9
445.27377	13.1
446.27753	1.2
463.28436	100.0
464.28860	8.2
481.29523	42.2
481.34872	0.8
482.29852	3.0
499.30661	3.9
533.48633	0.7
658.45868	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.554
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05508	3.2
81.07057	3.7
83.04972	2.6
91.05482	4.1
93.07014	6.3
95.08593	8.6
105.07033	6.5
107.08626	3.7
109.10171	1.7
111.08080	2.4
119.08591	5.9
121.10107	2.2
123.08077	3.0
128.06252	2.0
129.07022	1.6
131.08530	2.7
133.10153	5.4
135.08049	2.6
135.11713	1.9
141.07008	1.5
142.07765	2.3
143.08531	4.4
145.10138	5.0
147.11737	1.7
155.08551	7.1
157.10120	7.8
158.10527	2.6
159.11758	4.3
161.09613	3.1
162.16496	1.5
163.32803	1.4
167.08502	1.9
168.09140	1.7
169.10136	6.5
170.10567	1.9
171.11685	3.9
173.09671	2.1
175.11172	1.8
179.08580	2.0
181.10141	5.8
183.11711	4.3
189.12788	1.7
192.09404	1.6
193.10165	5.1
194.10701	1.9
195.11752	8.2
196.12175	2.3
197.13315	4.5
198.13708	1.7
199.11150	3.0
205.10069	2.2
206.10922	2.3
207.11674	8.0
208.12222	4.9
209.09596	1.8
209.13170	6.4
210.13823	2.3
217.12238	1.7
219.11757	3.5
220.12340	1.8
221.13248	12.4
222.13672	4.9
223.14909	5.5
224.15166	2.8
233.13164	2.6
235.14816	4.7
237.12634	1.4
237.16467	1.9
239.14345	2.4
247.14693	2.2
248.15247	2.0
249.12816	3.7
249.16498	2.8
250.13252	2.2
250.16861	2.7
251.14339	4.6
257.15570	1.4
261.16510	1.6
263.14355	4.3
263.17981	4.6
264.14868	1.9
264.18262	2.1
265.15961	2.3
267.13739	3.2
268.14182	1.7
269.15427	4.4
270.15750	2.3
273.16684	1.5
276.14777	1.8
277.15863	2.0
277.19220	1.5
279.69751	1.5
281.15323	2.3
283.16998	1.6
289.15692	1.5
291.17474	2.1
295.16910	2.6
305.18942	5.1
306.19559	2.1
309.18573	1.6
321.18448	1.8
322.18854	1.7
323.19958	8.7
324.20404	2.9
365.17313	2.3
403.26361	4.3
404.26477	4.2
412.00360	1.5
417.27747	2.1
418.28354	2.4
419.29376	3.3
420.29807	2.4
427.26443	2.6
437.24374	1.6
441.27588	2.4
445.27451	18.5
446.27625	14.0
455.25195	2.0
463.28433	100.0
464.28793	96.9
465.28909	5.5
481.23495	2.0
481.29413	8.2
482.29922	5.8
485.26733	2.7
499.24573	5.3
503.27292	3.9
517.25604	63.3
518.25806	4.5
521.28674	38.5
522.28564	2.9
764.67999	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.554
Annotation	Unknow
Peak:m/z	Relative Intensity
89.29977	0.1
92.20391	0.1
133.02646	0.4
239.94977	0.1
249.17799	0.1
316.80426	0.1
335.19885	0.2
336.20361	0.2
349.17813	0.5
362.38324	0.1
365.20786	0.3
367.18817	4.9
368.19324	0.5
399.22961	0.5
401.24597	0.3
423.22897	0.3
439.26038	1.7
440.26538	0.3
455.25345	0.3
457.27136	2.8
458.27567	0.4
468.07599	0.1
473.26785	0.3
475.28265	0.7
483.25024	3.0
484.25665	0.2
501.26096	9.9
502.26480	0.9
519.27148	100.0
520.27466	9.3
569.04510	0.1
622.23267	0.1
755.67407	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83723	0.3
71.30933	0.5
76.06314	0.3
133.02628	0.3
133.81252	0.3
176.98164	0.3
184.07410	0.3
294.87082	0.3
325.23053	0.3
349.17865	0.9
367.18793	4.9
388.75540	0.3
399.22955	0.5
439.26035	1.9
457.27164	3.1
473.26349	0.5
475.28290	0.7
483.25256	2.2
501.26141	9.5
502.26682	1.0
517.25629	0.6
518.25647	0.4
519.27191	100.0
520.27502	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.5682
Annotation	Unknow
Peak:m/z	Relative Intensity
74.78149	0.2
96.02970	0.3
100.17133	0.2
108.52139	0.2
141.16283	0.2
153.88969	0.2
159.92776	0.3
165.04497	0.2
273.53378	0.2
367.18982	0.5
379.18912	0.5
441.27652	1.5
457.27136	4.7
458.27469	1.6
459.28375	1.1
464.29578	0.3
475.28134	1.3
476.28479	0.5
477.29465	1.0
485.26486	1.2
501.26154	5.1
502.26517	1.3
503.27588	4.1
504.27917	0.3
519.27173	100.0
520.27515	32.0
521.28516	43.5
522.28986	4.1
535.24554	0.6
744.33185	0.3
826.27350	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.5699
Annotation	Unknow
Peak:m/z	Relative Intensity
76.38407	0.5
76.50313	0.6
81.07068	0.7
86.09713	1.2
88.95097	0.6
91.70731	0.5
93.07055	0.7
105.07054	0.9
107.08598	0.8
109.06512	0.6
119.08627	0.6
125.00006	1.0
129.23041	0.6
145.22388	0.5
149.09532	0.5
183.74692	0.5
184.07372	3.0
191.34607	0.6
196.81133	0.5
223.98125	0.5
255.65668	0.6
365.17456	0.7
406.72913	0.6
441.27615	0.7
445.23407	0.8
446.20160	0.7
457.27057	2.9
475.28326	1.5
501.26447	1.0
503.27570	2.1
519.27185	100.0
520.27478	23.1
521.28436	22.1
522.28674	1.7
606.87469	0.6
747.18420	0.7
844.06183	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
71.32624	4.0
95.11450	2.6
98.47031	4.0
160.88416	2.9
184.07349	6.6
207.08028	3.0
222.06740	4.2
224.08260	4.0
235.07645	5.0
237.08946	6.2
239.10715	3.1
250.06256	8.2
251.07256	3.3
252.07884	5.1
263.07123	4.3
264.07788	4.1
265.05630	4.1
265.08487	15.9
266.09079	3.7
267.10208	13.8
268.07361	5.4
279.06540	4.0
280.07266	3.9
281.08023	2.8
283.05884	2.8
291.06503	3.6
292.07349	2.8
293.08051	26.2
294.08841	4.1
295.09616	25.1
297.07608	3.9
299.12735	4.0
309.07623	5.7
313.07019	6.1
315.08554	7.2
323.09006	8.8
325.10666	22.5
326.11240	3.7
327.08646	7.0
327.12308	4.8
329.10236	10.5
340.09296	3.8
342.11023	22.0
343.11142	3.2
355.11774	100.0
356.12106	7.7
357.13364	55.9
367.11731	4.6
381.13382	4.4
399.14255	32.1
403.21136	8.8
695.40393	3.1
737.47034	3.6
825.26520	3.6
832.17395	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05508	2.4
79.68802	1.1
81.07072	1.4
83.04984	100.0
87.46785	1.2
91.05504	2.4
93.07042	1.8
94.57676	1.2
99.40530	1.1
126.92848	1.3
149.05768	1.2
152.38036	1.2
198.66980	1.4
219.10150	2.9
267.06439	1.7
271.09796	1.4
279.10126	1.6
282.08743	1.5
287.08911	1.3
295.13297	3.4
296.10562	1.6
299.09039	2.0
301.06226	1.2
303.08691	1.2
307.09607	2.4
313.10544	2.9
317.10101	2.8
318.10931	2.9
322.12006	1.4
323.12741	6.4
325.10931	1.2
327.12283	3.3
328.13010	1.5
332.12491	4.5
337.14301	5.8
338.15045	3.7
339.12259	1.5
341.17621	1.9
345.13516	2.5
351.97559	1.1
355.15436	5.8
359.14905	2.3
369.16928	6.6
370.17816	7.4
386.17154	1.9
399.18228	2.2
401.19574	36.0
402.20111	1.8
420.71222	1.3
483.23767	88.6
484.24136	8.5
521.28589	3.6
685.96564	1.6
764.09961	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.594
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01342	2.3
71.04987	3.7
73.02918	4.5
79.05492	63.5
81.03423	12.9
81.07054	77.6
83.04967	10.1
83.08622	13.9
85.02904	29.7
85.06561	3.8
87.04469	5.0
91.03953	7.1
91.04959	3.3
91.05482	38.9
91.06014	3.1
93.07040	57.3
94.82169	1.8
95.04968	8.1
95.08608	51.9
97.02881	12.6
97.06543	6.6
97.10167	13.2
98.23157	8.6
103.05492	1.9
105.04547	1.9
105.07028	21.1
107.04961	5.4
107.08583	34.8
109.06561	2.3
109.10157	77.1
111.04443	1.7
111.08094	5.3
117.07046	8.2
119.08562	22.4
121.10141	23.1
123.08066	2.8
123.11707	5.8
125.09635	13.8
127.03912	2.4
129.05440	1.9
129.07010	4.7
131.08597	14.4
133.10121	12.9
135.08025	2.6
135.11673	19.3
137.09613	5.2
139.11186	3.3
143.08551	2.8
143.10748	1.9
145.04971	2.5
145.10098	14.4
147.08023	2.4
147.11690	6.5
149.13277	7.9
153.12729	3.8
155.08585	1.7
155.10645	5.0
157.10063	2.9
159.11702	5.7
161.13263	5.0
163.06006	4.7
163.11198	6.2
163.14893	1.7
165.12856	2.0
171.11649	2.9
173.11746	19.8
173.13263	5.8
175.11165	1.8
181.12263	4.1
187.14890	3.3
189.97095	1.8
191.10558	2.5
193.12242	3.6
199.13272	6.0
199.14859	2.2
209.11760	4.0
211.13179	1.8
217.08447	1.6
227.12738	7.6
229.14326	52.9
243.21135	5.7
257.13855	4.7
257.19257	1.6
259.20422	1.8
261.22086	22.3
262.22467	1.9
267.15887	4.9
301.16440	15.0
303.50238	1.7
317.24643	4.0
335.25793	100.0
336.25983	7.9
399.23776	14.0
459.34439	2.3
477.35611	5.9
489.35782	27.5
490.35883	2.8
543.36401	3.5
561.38019	9.6
579.38751	5.8
659.45203	33.5
660.44537	2.5
852.91382	2.0
1018.57019	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5945
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02940	5.8
78.14453	3.7
79.05498	85.2
79.05959	4.5
81.03423	14.9
81.07057	94.9
83.04989	12.8
83.08626	23.4
85.02905	26.5
87.04437	4.9
91.03961	11.5
91.05479	47.4
93.07041	62.0
95.04961	9.8
95.08612	65.0
97.02911	20.2
97.06570	4.6
97.10165	19.0
98.23289	5.0
105.07029	28.8
107.08588	35.0
109.10155	86.9
109.10899	4.7
111.08143	4.8
117.07005	10.2
119.08601	23.8
121.10162	26.4
123.08067	5.3
123.11707	7.4
125.09607	21.5
127.03942	5.9
129.07005	5.5
131.08577	17.9
133.10158	11.1
135.11714	13.5
137.09680	4.6
143.10715	4.5
145.04973	6.6
145.10136	17.7
147.11679	6.8
149.13303	10.0
155.10651	5.5
159.11766	9.2
161.13313	6.3
163.06113	5.4
163.11212	12.9
163.14856	5.0
173.11798	20.8
173.13234	8.9
187.14935	3.7
193.12163	4.7
199.13269	7.4
221.45090	4.1
227.12740	5.7
229.14352	50.3
243.21132	7.1
261.22226	26.1
267.15775	5.9
301.16528	18.8
335.25790	100.0
369.12225	4.1
384.58206	4.2
395.57993	4.2
399.23724	12.8
457.48270	4.3
477.35550	10.0
489.35718	35.3
561.38049	8.1
572.19788	4.9
659.45325	29.4
866.12842	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.5853
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30065	0.3
83.28145	0.2
92.68797	0.2
93.07056	0.3
105.07075	0.2
121.13461	0.2
122.71462	0.2
307.20145	0.2
323.61414	0.2
365.21298	0.2
367.18802	8.5
368.19220	0.6
441.27805	0.6
444.58685	0.2
459.28799	1.5
477.29733	1.5
485.26859	0.3
503.27692	6.7
504.28006	0.5
521.28735	100.0
522.29089	10.4
528.55182	0.3
537.26190	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05511	3.9
81.07058	2.3
91.05473	11.5
93.07066	4.1
95.04978	3.1
95.08617	2.4
105.07030	10.0
107.04941	2.3
107.08588	4.1
109.06477	1.8
111.04471	1.7
115.05469	1.6
117.06994	4.3
119.08604	8.9
121.06542	2.3
128.06216	4.3
129.07022	4.4
131.08572	7.0
133.06520	3.6
133.10181	4.3
135.08043	4.5
137.06010	1.7
141.06998	2.5
142.07805	3.6
143.08582	6.2
145.06503	3.6
145.10141	4.2
147.08037	25.1
153.07027	3.0
155.08549	9.7
156.09303	3.1
157.06534	2.2
157.10107	7.8
159.08080	6.5
159.11678	3.5
161.09618	4.0
165.09128	5.9
167.08588	6.1
169.10143	9.3
171.08078	3.7
171.11716	5.1
172.12508	1.6
173.09666	5.9
175.07565	5.4
175.11220	2.7
177.09155	2.0
178.07707	2.8
179.08542	3.8
180.09323	2.9
181.10162	6.5
182.07304	2.3
183.07999	1.9
183.11688	4.5
185.09644	3.7
187.07513	1.9
192.09407	2.2
193.10173	7.2
194.10875	3.3
195.08078	3.3
195.11681	6.5
197.09650	4.2
197.13342	2.3
199.11229	6.4
201.09149	4.7
206.10864	1.8
207.11707	5.4
208.12509	2.0
209.09560	3.8
209.13316	5.7
210.14108	1.7
211.11188	5.9
211.14853	6.7
213.12682	2.3
219.10071	2.2
221.09721	1.9
221.13271	4.3
223.11229	3.1
223.14787	2.7
225.12767	2.8
233.09645	2.1
233.13281	2.0
235.11263	3.1
235.14766	2.2
237.12767	4.0
237.16425	2.8
239.10681	7.2
239.14325	6.8
247.14873	2.0
249.12666	2.1
251.14368	3.9
255.13893	2.7
257.15488	1.8
261.12762	1.8
263.14279	1.7
265.15955	4.5
267.13809	1.9
273.12939	2.1
275.14481	1.7
277.15607	1.9
283.86832	1.6
291.10574	1.7
331.16995	1.9
380.80472	1.6
385.19846	2.3
391.22580	2.3
404.23285	2.6
409.23456	2.8
411.23062	6.6
413.25229	1.8
415.23108	3.2
421.21872	2.3
427.19254	2.8
429.24380	13.7
431.26123	2.0
432.22885	8.5
439.22739	11.1
442.21945	2.7
445.19928	2.0
447.25281	50.6
448.25766	5.1
449.27295	2.0
457.17862	3.0
457.23749	29.4
458.23770	3.9
460.22379	5.0
475.24774	100.0
476.25122	7.2
493.25732	20.9
511.26254	1.8
898.68195	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1022.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07066	1.8
216.02773	1.8
219.08070	2.7
233.09537	3.0
235.07568	3.8
247.07581	3.8
249.09077	4.6
250.09885	7.2
261.09128	5.4
263.06964	3.9
263.10815	2.6
265.12231	7.7
266.09119	1.9
277.08624	7.6
278.09326	11.6
291.06754	3.6
291.10172	7.6
292.10864	4.8
293.08441	4.2
293.11755	17.0
305.08148	6.7
306.08878	3.0
308.10464	5.4
319.09680	6.2
320.10309	14.5
321.11026	13.5
323.12704	6.0
336.09833	3.9
336.54770	2.2
350.11334	10.8
351.12234	74.1
352.12671	4.8
381.13333	100.0
382.13675	10.2
481.53662	2.0
667.13300	2.6
743.91339	2.1
1022.56158	2.6
1023.56226	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1026.39
Annotation	Unknow
Peak:m/z	Relative Intensity
91.85178	0.8
92.99200	0.7
97.11233	0.6
104.97841	0.8
133.33263	0.7
157.93008	0.8
158.96104	0.7
159.88907	0.8
165.05557	0.8
180.31873	0.8
197.05956	1.2
197.09679	0.8
198.06769	1.6
210.06798	1.7
211.07419	1.7
220.08905	1.6
225.05397	1.2
225.09103	2.5
226.06277	1.4
235.11180	1.8
237.09319	0.8
239.07127	2.1
241.04916	2.3
241.08736	0.9
248.08282	1.7
253.05151	0.8
253.08627	2.2
254.05771	1.4
254.09351	0.8
255.06522	3.7
256.07242	5.1
262.10046	0.9
263.07382	1.7
263.10654	3.5
265.08557	1.5
268.07474	1.0
269.04407	1.8
269.08017	1.9
277.08524	1.0
278.09277	1.5
279.09955	0.8
280.10944	0.9
283.06006	5.5
283.09161	1.1
284.06668	2.7
291.06888	1.1
291.10150	2.7
292.10620	1.0
293.08389	1.1
293.11591	3.5
294.12473	2.2
295.10092	1.0
295.13184	3.4
296.06833	1.5
297.07535	3.6
300.06314	1.8
307.09573	2.7
308.10297	0.8
310.08487	1.7
310.11731	0.8
311.09186	3.8
312.06299	0.9
312.09549	1.1
313.06982	2.4
314.07803	29.5
315.08356	2.3
321.11221	10.3
322.12024	2.7
323.09064	1.7
323.12836	3.2
325.14313	3.7
327.08630	3.1
338.11456	2.1
339.92834	0.8
340.52179	0.8
341.10287	2.9
352.13010	1.7
353.13843	22.8
354.14160	2.1
383.14874	100.0
384.15207	6.7
510.20505	0.9
519.33685	0.8
534.70276	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1026.5954
Annotation	Unknow
Peak:m/z	Relative Intensity
71.29741	2.2
79.05490	7.2
81.07057	9.3
83.04977	12.4
85.06554	1.2
91.05476	11.3
92.05785	1.5
93.03382	1.0
93.07038	12.9
93.69048	1.2
95.04961	3.2
95.08601	15.4
95.09161	1.5
97.06554	2.3
105.07033	15.6
106.07333	1.5
107.08591	9.2
108.08978	1.4
108.97774	1.0
109.06524	5.6
109.10148	3.0
111.04448	7.1
111.08087	6.0
112.73344	0.9
113.06020	1.1
115.05466	3.8
117.07013	4.4
118.07436	1.0
119.08572	19.8
120.08906	1.1
121.06520	3.8
121.10133	4.3
123.08070	4.0
128.06252	3.9
129.07040	6.1
130.07735	1.5
131.08562	8.4
132.09012	0.9
133.06505	3.4
133.10133	8.1
134.10530	1.3
135.08057	3.3
137.05991	4.8
138.06311	1.4
139.07552	3.4
141.06999	3.4
142.07788	5.5
143.08591	8.4
145.06508	2.0
145.10097	10.2
146.10614	1.0
147.08047	4.0
147.11719	4.3
149.09605	1.3
152.06403	1.5
153.07036	2.6
154.07799	1.4
155.08539	13.2
156.09325	2.9
157.06511	1.8
157.10126	17.8
158.07260	1.5
158.10553	1.8
159.08014	2.7
159.11658	7.5
160.12425	2.1
161.05917	1.3
161.09639	5.2
161.13199	1.5
165.07057	4.3
166.07814	1.8
167.08577	4.1
168.09254	2.0
169.10139	10.5
170.10696	1.8
171.08064	2.3
171.11664	10.3
172.12074	1.3
173.09624	4.3
173.13252	2.0
173.37807	1.0
174.10188	1.2
175.11172	3.0
177.09207	1.4
178.07675	1.3
179.08566	7.5
180.09325	3.5
181.10110	7.3
182.10825	1.4
182.72351	1.1
183.08127	1.6
183.11736	5.1
184.08586	1.1
184.12157	1.4
185.09625	3.6
185.13292	4.5
187.11191	3.2
189.12927	1.4
191.08524	2.3
192.09378	4.1
193.10123	6.7
194.10815	3.9
195.08093	1.4
195.11711	6.6
196.12347	1.6
197.09624	4.3
197.13289	6.3
198.10118	1.0
199.07663	1.2
199.11160	4.8
199.14841	2.4
200.11639	1.8
201.09183	1.3
201.12709	2.5
204.09323	2.2
205.10130	4.1
206.10828	5.7
207.11726	9.6
208.12164	2.9
209.09663	2.4
209.13223	10.0
211.11218	3.2
211.14868	3.5
213.09204	1.3
213.12805	1.3
213.16452	2.0
215.10684	2.0
215.14359	1.6
216.09218	1.5
217.10098	2.9
217.12268	7.7
218.10831	3.4
219.11627	6.4
219.13672	1.4
220.12277	3.5
221.09709	1.9
221.13229	10.1
222.10277	1.5
222.13985	2.6
223.11118	2.7
223.14847	4.2
225.12793	1.5
225.16374	1.4
227.10738	1.5
229.12253	1.3
230.10837	1.9
231.11646	5.8
232.12465	4.5
233.09543	1.4
233.13290	6.5
233.15262	1.3
234.10173	1.1
234.13832	2.2
235.11156	1.8
235.14929	5.0
236.11656	1.9
236.15492	1.2
237.12727	3.1
237.16452	1.7
239.10614	1.2
239.14369	1.6
241.12260	1.6
241.15816	1.5
242.39928	1.1
243.11647	1.6
244.12311	2.0
245.13202	5.1
245.15485	2.2
246.13995	4.0
247.11066	1.3
247.14854	8.2
248.15553	1.1
249.12756	3.8
249.16307	2.4
251.10768	1.6
251.14452	2.3
251.17928	2.5
253.12167	1.3
253.16164	1.7
255.13889	1.5
258.13925	2.0
259.11371	1.1
259.14423	4.7
259.16989	4.4
260.15530	3.5
261.12823	2.1
261.16391	9.8
262.13306	1.4
262.16885	3.2
263.10699	1.3
263.14328	1.6
263.17847	1.9
265.12253	1.3
265.15805	2.3
267.13834	3.1
269.15402	1.9
271.14941	1.3
272.15564	1.7
273.12796	1.6
273.16284	2.8
275.14502	1.8
275.17969	6.9
277.15732	2.5
277.19321	1.1
279.17529	2.3
279.20627	1.4
281.15469	1.9
285.16257	2.4
286.16867	1.4
287.14349	1.3
287.17902	5.2
288.15045	2.3
288.18246	1.7
289.15933	2.0
289.19458	2.4
291.13901	1.4
291.17389	1.3
293.15414	1.3
295.16840	1.8
299.14197	1.2
301.15829	1.7
301.19168	1.3
302.16641	1.6
302.20285	2.2
303.17477	4.8
303.20880	1.8
304.18182	2.7
305.15375	3.0
305.22449	1.2
306.16064	1.4
306.41174	1.0
307.16821	1.7
312.14969	1.5
315.17438	1.2
317.18924	1.2
319.16949	2.5
321.18515	2.7
323.20175	2.1
329.18900	2.8
339.19556	1.2
343.20309	1.4
347.20114	1.8
361.21658	2.4
362.22232	2.7
383.23727	1.7
401.24747	93.1
402.25098	10.0
405.20618	3.5
415.26334	7.2
416.26666	3.5
417.27869	9.9
419.25824	24.3
420.26233	1.2
425.24652	4.6
431.25778	2.1
432.26071	1.2
433.27069	2.3
443.25858	41.9
444.26126	13.5
459.25403	5.0
460.25491	3.4
461.26886	100.0
462.27206	22.8
463.28268	1.6
477.26224	4.4
478.26834	1.9
479.27927	21.6
480.28174	1.6
495.26801	1.4
497.29266	6.5
511.04993	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1026.5944
Annotation	Unknow
Peak:m/z	Relative Intensity
77.76587	1.1
78.68424	1.3
79.05504	4.8
81.03452	1.1
81.07071	4.9
83.05003	3.4
83.08634	1.0
91.05472	5.4
93.07047	7.3
93.07544	1.1
95.04958	2.6
95.08608	11.3
97.06527	1.3
98.02911	1.0
98.22677	2.2
105.07008	6.9
107.08588	6.2
109.06519	2.0
109.10148	3.4
111.04431	1.7
111.08133	2.5
111.22447	1.0
117.07011	1.8
119.08567	6.8
121.06536	2.8
121.10169	2.0
123.08092	4.8
125.06052	1.2
128.06235	2.1
129.07025	1.7
131.08585	4.9
133.10126	4.0
135.08073	2.1
135.72217	1.1
141.06963	1.8
142.07805	2.3
143.08568	5.5
145.10147	4.7
147.08083	1.6
147.11647	1.4
155.08501	5.5
156.09277	1.2
157.06543	1.7
157.10178	6.5
159.08153	1.4
159.11642	2.8
161.09622	3.5
161.13283	1.2
165.07007	2.7
167.08527	2.8
169.06512	1.8
169.10153	6.0
171.08067	2.0
171.11723	5.0
173.09630	2.6
175.07579	2.5
175.11276	1.5
178.07767	1.9
179.08548	3.0
180.09352	2.3
181.10152	6.6
182.10886	1.8
183.08093	2.3
183.11732	4.0
185.09622	3.4
185.13235	2.2
187.11227	2.1
189.12837	1.6
191.08510	1.5
192.09357	2.4
193.10117	7.5
194.10905	1.9
195.07971	2.0
195.11713	8.2
196.12286	1.7
197.13258	2.5
199.07582	1.5
199.11113	2.5
201.12845	1.5
203.08621	1.7
204.09331	1.5
205.10152	2.9
206.10901	3.2
207.11703	8.1
208.12506	2.5
209.09694	1.9
209.13287	4.6
210.10146	1.3
211.11165	2.3
215.10692	1.5
217.10205	2.0
218.10785	2.0
219.11652	8.3
220.12402	2.7
221.09708	2.0
221.13324	6.1
223.11197	3.5
223.14716	1.9
224.11815	1.1
225.09120	1.6
225.12735	2.5
227.10829	1.7
230.10832	1.4
231.11671	2.4
232.12370	2.0
233.09631	1.3
233.13289	5.9
234.13933	1.9
235.11188	2.4
235.14807	4.6
236.15355	1.1
237.12773	3.4
237.16458	1.7
239.10793	1.4
241.12335	1.5
244.12468	1.6
245.13257	2.6
247.11182	1.7
247.14896	4.4
248.11984	1.7
249.12720	4.4
249.16516	2.8
253.12402	1.5
255.13768	2.3
259.14825	2.8
260.15659	2.1
261.12753	3.2
261.16373	5.6
262.17001	1.7
263.14194	3.3
263.18054	2.7
265.12363	3.3
267.13788	3.7
275.14325	1.5
275.17889	2.9
276.15158	1.3
276.18414	2.0
277.15915	2.0
277.19641	1.7
279.13904	2.5
281.15378	2.0
289.16025	1.4
303.17429	4.6
311.20700	1.3
319.17026	1.6
321.18536	5.9
322.19296	1.2
323.19885	1.3
339.19708	2.3
347.20099	1.6
375.23239	10.7
376.23557	1.5
392.21964	1.3
397.25330	1.5
401.24664	4.8
403.22675	1.6
413.24985	2.4
415.26239	4.5
417.28467	6.0
421.23743	2.9
423.21805	2.2
431.25839	5.1
432.25955	1.5
433.27271	2.3
435.24887	2.7
441.24149	2.4
443.25842	18.5
444.26086	2.7
449.27118	1.7
459.25357	7.6
460.25677	2.8
461.26877	100.0
462.27185	9.5
477.26306	11.4
478.26581	2.1
479.27905	32.6
480.28119	4.1
495.26999	1.9
496.27521	1.4
780.39185	1.3
1026.56921	8.0
1027.54761	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
86.89375	0.2
98.23350	0.5
119.06757	0.2
465.40768	0.2
515.21613	0.8
517.25024	0.2
533.22980	100.0
534.23309	10.8
640.41669	0.3
772.41302	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1028.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
75.85744	1.9
77.03955	2.2
77.84146	1.8
79.05498	27.7
81.03425	39.1
81.07047	23.7
83.04981	11.6
83.08615	9.8
85.02895	10.1
89.03918	3.0
91.05482	35.9
91.06013	3.4
93.07059	17.2
95.04974	17.8
95.08617	13.4
97.02848	2.3
97.06544	4.2
97.10167	3.8
97.22196	2.0
103.05443	3.4
105.07019	20.8
107.04963	9.0
107.08601	5.8
109.10153	7.1
111.04407	3.2
111.08079	5.7
115.05444	6.3
117.03390	3.1
117.07038	4.0
119.08604	14.6
121.10164	6.4
123.04430	4.3
123.08117	3.7
128.06213	4.1
129.07008	13.4
131.04965	3.0
131.08595	9.9
133.06473	4.9
133.10126	6.6
135.04416	5.5
137.05972	2.5
139.05540	2.1
141.06969	5.6
143.08589	2.5
145.06462	3.4
145.10094	2.4
147.04407	5.7
147.11697	8.5
149.09604	5.1
152.06230	2.4
153.07039	4.7
155.08618	2.4
157.06493	9.8
157.10132	10.2
161.05975	11.2
163.03900	22.4
163.11201	4.2
165.05525	4.7
165.06982	4.5
165.12762	2.7
167.08624	2.7
169.06519	6.5
171.04399	8.0
171.08054	4.1
173.05994	73.8
173.07489	3.8
173.09651	3.9
174.06401	2.7
175.03841	2.8
175.07529	3.0
175.11234	10.3
177.05484	5.7
179.08548	2.8
181.06480	11.5
183.08063	4.3
184.05103	2.6
185.05952	14.1
187.03929	7.7
187.07541	14.1
188.07874	2.2
189.05424	10.4
191.10678	4.2
193.06529	4.4
193.12259	28.2
195.08119	5.7
197.05930	15.7
199.03897	11.2
199.07553	20.9
200.04681	5.4
201.05482	39.4
209.05916	3.9
211.04008	2.3
211.07568	13.9
211.13275	36.3
211.15141	2.6
212.04683	4.1
212.13684	2.3
213.05475	100.0
213.09045	10.7
213.10909	2.3
214.05891	5.5
215.07062	8.1
217.04964	85.8
218.05359	3.0
219.13802	2.6
221.06026	3.5
223.07600	5.2
225.05446	10.2
225.09129	5.2
226.06194	8.2
227.03389	9.1
227.06989	16.1
229.04968	11.2
235.07509	5.4
237.09116	3.4
238.06320	3.2
239.07039	10.2
241.05040	4.6
241.08609	2.6
243.06541	3.6
249.12749	3.1
251.07132	3.1
253.08606	6.1
265.12222	2.7
267.16141	10.4
273.12674	3.0
283.13235	3.2
285.17136	16.2
291.13724	3.7
295.13318	7.4
309.14804	11.7
311.12900	17.7
313.14325	10.1
319.13123	3.5
327.15878	9.9
329.13855	62.6
330.14252	4.6
337.14307	57.9
338.14688	4.7
355.15460	34.5
373.16562	7.9
385.16443	82.1
386.16821	7.3
403.17389	7.3
411.18015	79.6
412.18225	6.7
419.18448	4.2
429.19083	43.9
437.19617	4.0
447.20111	3.8
577.27582	2.3
595.28943	20.2
603.29913	14.0
604.29944	2.6
613.30054	15.0
621.22113	2.9
621.30811	45.4
622.30621	6.8
639.31659	29.8
640.31921	5.2
657.32422	11.7
795.35229	3.7
813.36212	6.8
831.36987	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1028.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01332	0.8
73.20393	0.7
74.86913	0.7
77.03934	1.0
79.05486	16.9
80.55129	0.8
81.03419	27.7
81.07052	14.9
83.04985	6.8
83.08625	9.2
85.02899	7.5
85.06533	1.0
89.03933	1.3
91.05480	22.8
93.07045	9.6
95.04968	12.6
95.08610	6.8
97.02898	1.6
97.06532	2.3
97.10165	2.6
99.08069	1.2
103.05463	1.8
105.04509	1.0
105.07034	12.9
107.04944	7.1
107.08610	4.3
109.06508	3.0
109.10178	1.7
111.04440	1.7
111.08084	3.3
115.05426	3.7
117.07027	2.9
119.08576	10.7
119.09348	1.2
121.06456	1.1
121.10153	4.2
123.04446	2.2
123.08047	0.7
125.09625	1.0
128.06245	1.3
129.07014	8.5
131.04904	1.3
131.08589	6.8
133.06512	3.8
133.10115	5.8
135.04440	1.6
135.08029	1.0
135.11632	1.3
137.05928	0.8
137.09595	1.0
139.05396	1.7
141.06998	2.7
142.07808	1.7
143.08566	0.8
145.06508	1.8
145.10110	3.3
147.04388	0.9
147.08060	2.1
147.11685	6.5
149.05983	1.0
149.09572	3.4
153.07022	3.6
155.04865	1.8
155.08534	1.5
157.06464	2.9
157.10097	5.8
161.05975	9.5
163.03886	9.1
163.11185	3.0
165.05569	1.3
165.06950	1.1
165.12799	1.1
167.04951	1.0
167.08557	1.9
169.06491	2.2
171.08051	1.9
173.05980	64.5
173.09630	2.9
174.06357	2.1
175.03905	1.6
175.07524	2.7
175.11174	5.7
177.05510	2.1
181.06502	5.7
183.08029	1.8
185.05940	5.9
187.03893	2.1
187.07532	12.7
189.05467	4.7
189.09091	1.5
191.03343	1.6
191.10684	2.7
193.06516	1.5
193.12241	19.6
195.08087	2.8
197.05977	5.5
198.06749	1.0
199.03935	1.2
199.07538	17.5
201.05444	22.7
201.09128	1.0
202.05867	1.1
203.07007	1.0
209.06128	1.0
210.06734	1.5
211.07549	9.3
211.13289	32.4
213.05460	8.2
213.09055	7.6
215.03625	0.8
215.06999	5.8
217.04958	84.6
218.05281	2.2
219.13733	3.5
221.09682	0.9
221.13332	0.9
223.07559	2.7
225.05499	4.7
225.09015	4.4
227.07007	8.2
227.10654	1.3
228.07614	1.0
229.04951	11.1
229.08549	1.4
235.07564	1.5
237.09125	1.7
237.12766	0.8
239.07063	2.2
239.10622	0.9
241.05000	2.2
241.08659	1.9
243.06537	2.2
243.08688	2.2
247.11360	0.9
249.09038	1.2
249.12662	1.4
251.10780	1.5
253.08449	1.2
255.13797	1.3
257.15552	0.7
265.12048	3.6
267.13242	3.7
267.16153	6.8
275.10849	1.1
281.15295	1.8
283.13278	3.7
285.14365	1.3
285.17267	6.1
291.13782	1.4
293.11673	1.2
299.16550	1.1
309.14838	2.3
311.12750	19.3
312.13132	1.1
313.14432	9.5
317.17569	1.1
327.15826	5.6
329.13828	62.1
330.14182	2.7
337.14288	6.3
347.15042	1.6
355.15375	16.7
359.18616	0.8
373.16489	7.3
385.16431	100.0
386.16797	5.1
387.17740	1.2
393.17279	0.8
401.19449	1.8
403.17496	9.3
411.18076	2.5
429.19070	46.7
430.19260	2.4
437.14417	1.2
447.20044	3.6
485.17587	1.1
503.24414	0.9
529.20020	1.0
547.27118	1.7
577.27753	4.0
595.28925	24.8
596.28943	2.0
603.30225	1.4
611.31860	0.9
613.29987	16.4
614.30035	0.9
621.30896	12.3
639.31641	16.2
640.31586	2.0
657.32733	18.2
769.33990	1.3
813.36261	3.7
830.91919	1.0
831.37976	4.9
854.69330	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1028.6093
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30167	1.2
74.20786	0.9
79.05496	4.3
80.79314	0.8
81.07058	7.2
83.04982	100.0
84.05321	1.8
84.20377	0.9
85.06538	2.2
91.05486	4.7
93.07046	7.0
95.04959	2.1
95.08602	13.2
98.23077	1.0
105.03393	1.1
105.07021	7.9
107.08604	7.1
109.06532	3.1
109.10159	3.1
111.04451	2.1
111.08083	3.9
115.05464	1.2
116.98272	0.9
117.07017	2.2
119.08598	7.2
121.06543	1.3
121.10156	3.1
123.08076	3.6
123.11756	1.1
127.07539	1.4
129.07036	3.4
131.08606	4.7
133.10139	5.0
135.08110	1.3
135.11613	1.1
137.09612	1.6
139.07556	1.7
141.07030	2.4
141.09138	1.2
142.07832	2.4
143.08572	8.6
145.10110	6.6
146.07430	0.9
147.08040	2.1
147.11661	3.2
155.08548	6.2
155.09685	0.9
156.09338	1.4
157.10133	11.1
159.08032	1.7
159.11711	7.8
160.08762	1.3
161.09624	5.9
161.13206	1.7
163.11278	1.2
163.29700	1.0
165.07013	1.5
167.08577	2.6
168.09294	1.7
169.10136	6.7
170.10889	1.9
171.08047	1.4
171.11661	4.5
173.09721	1.7
173.13292	2.4
175.11214	2.2
178.07658	1.1
179.08539	2.2
181.10088	4.9
182.10863	1.4
183.08037	1.1
183.11700	9.0
184.12451	1.0
185.09695	1.2
185.13243	7.0
187.11128	1.8
187.14757	1.6
189.12723	3.1
192.09293	1.9
193.10156	4.0
194.10953	1.4
195.08076	1.0
195.11700	6.2
195.80774	0.9
196.12518	1.2
197.09616	1.7
197.13297	5.6
199.11189	2.8
199.14804	1.9
201.12781	2.9
205.24434	0.9
206.10858	2.1
207.11702	8.3
208.12346	2.0
209.09744	1.8
209.13255	8.4
210.14021	0.9
211.11195	2.3
211.14842	4.9
213.12729	2.7
215.10905	1.1
215.14258	1.2
217.12070	0.9
219.11719	2.2
220.12592	1.1
221.09615	2.1
221.13306	7.3
222.10146	0.9
222.13992	1.3
223.11198	1.9
223.14922	5.1
224.15533	1.7
225.12778	3.2
225.16403	2.2
227.14281	1.6
233.13260	3.0
235.14879	2.8
237.12744	1.7
237.16420	2.5
239.14299	3.3
239.18048	1.6
245.13258	1.4
247.11317	1.3
247.14850	3.1
248.15523	1.3
249.12782	2.3
249.16426	3.3
250.13670	1.2
251.14281	3.3
261.16412	2.5
263.14380	2.9
263.17911	6.7
265.16003	2.5
267.13831	2.6
267.17477	5.1
269.15353	2.8
277.15921	2.1
277.19485	1.2
281.15475	1.4
281.18848	1.1
283.16916	1.9
287.18106	1.4
289.15762	1.5
291.17453	1.9
293.15622	1.0
293.19110	1.2
295.16733	1.2
303.17459	1.7
305.19083	4.2
307.17126	1.0
323.19989	8.1
325.21609	6.8
330.08453	0.9
351.19449	2.8
363.23187	2.5
365.24493	1.9
367.22644	3.6
369.20633	6.0
379.26364	12.1
380.26483	1.5
381.24185	1.7
385.25513	1.8
389.24750	2.9
403.26251	20.9
407.25824	78.5
408.26227	6.9
409.24960	1.1
417.27783	1.4
419.29239	2.0
425.26862	30.9
426.26904	2.5
427.26318	2.4
443.26611	1.4
445.27295	14.4
463.28421	34.8
464.28568	2.6
481.29468	3.1
507.30991	2.4
515.27765	1.7
533.28851	5.1
551.30042	53.8
552.30463	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.266
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03940	2.2
79.05500	1.6
81.03423	7.0
85.02911	4.6
89.03930	3.8
91.05484	2.5
93.03414	1.8
95.04977	4.3
97.02887	3.7
100.73049	1.1
103.05463	2.4
105.03380	1.2
107.04967	11.0
108.12949	1.0
109.02898	4.7
111.00787	7.2
111.04437	16.7
115.05461	3.0
117.03364	2.5
117.07030	1.1
119.04959	2.8
121.02879	3.0
123.04432	70.1
124.04790	1.4
125.77270	1.1
127.03915	100.0
128.04231	2.0
131.04951	4.4
135.04411	68.3
137.02376	7.7
137.05983	1.2
139.03899	81.3
140.04271	1.1
141.06995	1.8
141.99977	1.0
143.04933	2.2
145.02843	3.8
145.06519	1.5
147.04402	11.2
149.02330	8.4
149.05998	2.8
150.03078	1.3
151.03903	28.1
153.01889	1.3
155.03488	1.4
155.04907	2.7
155.94431	1.2
156.24091	1.2
157.06525	1.9
159.04413	5.5
161.02338	1.9
161.05971	7.2
163.03903	71.3
164.04260	2.3
165.05473	4.5
167.03441	6.0
169.05069	2.5
169.06497	2.8
173.05956	7.9
175.03908	5.0
175.07587	1.3
177.05457	8.7
179.03398	11.9
181.04987	1.7
181.06528	1.8
183.04437	3.5
185.06010	5.2
187.03871	12.7
187.05139	1.2
187.07555	2.7
189.01833	1.2
189.05447	5.2
191.03377	13.2
191.07063	1.6
193.04974	4.5
197.05943	8.1
199.07555	1.2
201.05499	12.9
203.03386	17.6
203.06990	2.8
205.05019	4.4
207.02910	1.9
211.03973	2.4
213.05435	6.7
215.03436	4.5
215.07072	4.4
217.05002	4.4
219.06436	1.4
225.05476	3.9
227.07030	1.6
229.04955	20.0
230.05611	1.8
231.02913	1.7
231.06505	4.1
233.04381	6.6
237.05571	5.2
241.05028	6.3
243.06537	6.4
245.04448	37.7
246.04794	1.1
247.06009	61.6
248.06499	2.2
251.05386	2.0
253.04807	5.2
255.06509	6.4
257.04431	32.9
258.05078	3.5
259.06018	25.2
259.08624	1.9
260.06497	1.4
261.07669	7.9
263.05292	1.6
265.04987	4.0
269.04483	7.3
270.05273	1.6
271.05984	40.2
272.06586	1.8
273.04630	1.6
273.07599	8.4
274.04712	1.3
275.05460	15.6
279.06497	1.5
281.04489	5.6
283.05975	20.9
285.04105	2.1
285.07574	3.1
287.05484	24.2
289.07043	54.3
290.07394	2.1
291.08719	8.3
293.04572	1.2
295.06042	4.2
297.03934	3.8
297.07526	1.8
299.05502	13.4
301.07037	21.1
303.08636	3.1
307.06149	2.1
309.03952	3.6
311.05533	4.7
313.07117	2.4
321.07599	1.7
323.05542	6.3
325.07111	1.8
337.06860	1.2
349.07477	1.2
351.04932	4.9
351.08652	1.4
353.06421	1.9
361.07086	1.4
363.08679	2.8
365.06384	5.8
367.08215	3.3
377.06485	5.2
379.08054	4.6
383.07626	8.9
389.06506	2.3
391.07776	8.2
393.05829	7.8
395.07544	4.4
397.09116	3.3
401.06592	1.9
405.05679	5.2
407.07620	15.4
408.08041	1.5
409.09128	36.6
410.09158	2.6
411.10712	4.7
419.07529	6.6
421.09351	5.8
425.08688	14.6
427.10236	19.2
433.09610	3.3
435.10941	1.5
437.08505	6.2
449.08859	2.2
451.10571	4.7
453.11774	3.3
463.12216	1.6
469.11526	2.0
509.08932	1.4
517.11292	7.9
527.09344	2.9
535.12250	4.3
543.13031	1.4
545.10791	12.0
547.12018	2.1
553.11554	1.7
559.11908	3.3
569.12317	1.5
571.12781	6.1
577.13684	2.0
579.14764	4.0
589.13434	2.2
679.13849	4.4
697.15161	5.0
715.16724	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03951	1.5
77.36362	1.4
79.05482	1.8
81.03416	4.1
83.01311	2.0
83.04951	1.4
85.02905	3.6
89.03925	3.8
91.05472	3.3
91.47685	1.3
93.03397	2.6
95.04975	3.9
97.02850	2.1
99.04469	1.3
103.05433	2.6
105.03383	3.1
107.04958	7.5
109.02875	3.5
111.00799	7.5
111.04429	14.7
115.05441	3.3
117.03397	2.4
119.04941	5.5
121.02867	4.5
123.04424	89.9
124.04781	2.2
125.02316	4.1
127.03908	47.6
129.07063	1.9
131.04904	6.1
133.06491	1.7
135.04416	55.2
137.02336	9.6
137.05969	3.4
139.03896	100.0
140.04205	3.0
141.07001	4.5
143.04965	2.1
145.02876	1.5
145.06494	2.0
147.04398	17.7
149.02289	6.9
149.05952	4.2
151.03905	24.9
153.01852	2.0
153.05443	3.6
153.06871	1.8
155.03484	2.8
155.04900	4.9
157.06465	5.5
159.04405	5.4
159.07947	1.6
161.05943	11.9
163.03897	57.0
163.07509	2.1
165.01872	1.5
165.05461	7.2
167.03435	11.3
167.04745	2.3
169.06482	3.6
173.06010	9.4
175.03934	7.8
175.07538	2.3
177.05484	9.7
179.03381	16.3
181.04942	2.4
181.06445	1.9
183.04396	3.3
185.05954	10.2
187.03868	14.0
187.07559	2.8
189.05481	10.9
191.03371	21.0
191.07068	2.4
193.04962	4.3
197.05978	9.7
199.07434	2.1
201.05452	19.8
203.03391	23.8
203.07059	5.0
205.04912	8.2
211.03857	1.8
211.07477	2.3
212.04593	1.6
213.05467	15.9
215.03468	6.8
215.06984	15.1
217.04964	7.6
221.04283	2.4
225.05383	11.3
227.03497	1.9
227.07016	3.9
229.04953	33.4
230.05624	5.7
231.06396	8.9
233.04422	11.7
237.05492	3.8
239.06961	2.4
240.54144	1.7
241.04887	11.4
242.05624	2.5
243.06497	19.5
245.04451	30.7
247.05998	42.4
247.34178	1.4
248.06384	2.3
251.05237	2.0
253.04970	14.1
255.06445	10.3
257.04431	94.0
258.05106	11.4
259.06006	73.4
260.06360	2.8
261.07571	8.3
265.04907	4.2
266.05765	2.4
267.06522	4.7
269.04416	15.1
270.05151	2.2
271.05969	52.7
272.06348	1.8
273.07538	4.9
275.05429	28.6
277.04736	3.0
279.06479	3.6
281.04523	10.7
281.07419	2.3
282.05139	4.8
283.05939	18.0
284.06476	1.8
285.04050	2.0
287.05438	34.4
288.05984	2.3
289.07013	32.0
291.05923	1.7
291.08771	16.0
293.04434	2.2
295.06006	10.8
297.04129	2.6
297.07629	4.0
299.05475	55.9
301.07007	21.6
303.08618	5.3
305.07867	3.0
307.05960	5.0
309.03848	3.9
309.07300	2.6
311.05289	8.3
317.07870	2.9
319.05942	4.1
321.07538	2.9
323.05533	7.5
325.06891	1.7
331.06018	3.4
332.06537	1.9
333.07468	4.1
335.05411	3.4
337.06870	3.3
341.06439	1.8
343.06140	1.5
345.07489	2.7
347.05173	1.8
349.07208	2.6
351.04980	3.0
351.08633	2.9
361.06909	4.2
363.08652	1.9
365.06418	4.2
373.07120	1.6
377.06638	4.1
379.08121	9.7
381.09982	1.9
383.07675	20.2
387.08765	2.1
389.06369	5.6
391.08167	18.2
393.05579	3.2
395.07538	6.3
397.09210	3.3
401.06693	3.8
403.08011	3.0
405.05615	3.4
407.07544	26.1
408.07864	2.1
409.09161	64.7
410.09473	3.9
411.10434	2.3
413.07437	1.9
415.08075	2.6
419.07483	16.1
420.07715	1.8
421.08972	8.1
423.10919	2.4
425.08661	71.3
426.08826	4.4
427.10248	30.8
431.07828	3.4
433.09216	8.9
437.08618	27.1
437.78452	1.5
438.09039	2.3
439.09793	2.5
449.08710	8.2
451.10150	7.5
491.10501	1.8
517.11127	5.8
527.09991	4.5
529.10907	3.0
535.11566	3.1
541.11267	5.7
543.12921	2.5
545.10663	30.1
546.11145	2.7
547.12231	7.1
553.11389	6.1
554.11707	1.6
557.10425	5.3
559.12201	12.8
563.11237	2.4
569.11121	2.3
571.12396	23.8
577.13403	3.1
579.15009	3.5
587.12329	3.1
589.13177	8.2
590.13904	1.8
679.14197	14.6
680.13763	2.1
697.15070	9.4
703.14966	1.7
715.15637	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
72.10184	1.0
77.03947	1.2
79.05487	2.5
81.03423	6.1
85.02914	2.2
89.03947	5.1
91.05489	3.4
93.03408	3.9
95.04974	4.0
98.22636	1.4
99.04426	1.1
103.05485	2.0
104.74797	1.1
105.03409	1.6
107.04975	7.9
109.02880	4.6
111.00804	7.0
111.04445	22.1
115.05489	2.1
117.03391	4.0
117.06997	1.1
121.02876	3.3
123.04427	85.0
124.04794	2.2
127.03915	85.8
128.04274	1.7
131.04921	4.6
135.04419	95.4
136.04762	2.0
137.02345	5.5
139.03900	100.0
139.69882	1.1
140.04250	2.2
143.04913	2.2
145.02844	2.5
145.06444	2.6
147.04404	9.5
149.02345	9.7
149.05980	3.0
150.03148	1.0
151.03905	32.8
153.01826	1.8
153.07016	1.4
155.04910	2.6
157.06471	2.7
159.04430	6.4
161.05984	6.4
163.03905	74.6
164.04324	2.7
165.01953	1.3
165.05568	5.5
165.06772	1.0
167.03406	6.3
167.04660	1.2
169.05064	2.2
169.06505	3.7
173.05983	7.8
175.03905	5.8
177.05424	8.2
179.03401	14.7
181.04982	2.7
181.06487	2.0
183.04428	2.9
185.06009	3.0
187.03899	10.7
187.07619	1.5
189.01845	0.9
189.05502	4.9
191.03369	11.4
193.04933	4.7
197.06015	5.9
199.03766	1.0
199.07419	1.2
199.11203	1.0
200.04779	1.1
201.05466	13.2
203.03369	15.1
203.07002	2.8
205.05002	4.9
207.06508	1.9
213.05428	5.7
215.03412	4.1
215.07100	4.8
217.05035	3.7
223.02487	2.0
225.05486	4.3
227.03481	2.3
227.07127	1.3
229.04924	18.0
230.05464	1.6
231.02898	1.7
231.06522	5.8
233.04495	6.8
237.05482	3.0
239.07014	1.0
241.04898	5.7
243.02843	1.5
243.06546	8.0
245.04451	51.4
246.04846	2.1
247.06018	62.3
248.06360	2.8
251.05412	1.3
253.04970	4.1
255.06496	6.1
257.04449	21.1
258.05063	3.4
259.06024	19.3
260.06796	1.2
261.07529	7.4
263.05530	3.4
265.04999	2.7
267.06381	1.2
269.04431	6.5
271.05991	38.0
273.07571	4.4
274.04672	1.3
275.05450	15.8
279.06653	2.3
281.04510	2.9
283.05966	22.9
283.08810	1.7
284.06439	1.5
285.07550	1.8
287.05469	30.5
289.07056	66.8
290.07373	1.3
291.08621	21.7
295.05969	5.3
297.03973	3.6
297.07318	1.6
299.05521	9.7
301.06885	20.1
302.07220	1.3
303.08621	2.5
307.05936	1.7
309.03918	3.0
309.07376	1.3
311.05356	3.0
313.06998	4.0
319.05994	2.0
321.03906	1.3
323.05524	4.5
325.07083	1.6
331.08246	2.3
337.06894	1.5
339.08511	1.1
347.05493	1.1
351.05072	3.4
361.07004	2.2
363.08685	1.5
365.06595	2.3
367.08017	1.5
375.04910	1.1
377.06607	2.5
379.07983	4.9
383.07617	4.3
389.06522	2.4
391.08167	5.2
393.06006	6.7
395.07443	2.5
397.09354	4.9
405.05957	5.4
407.07654	20.6
408.07797	1.4
409.09131	36.2
410.09390	3.2
411.10718	2.7
415.10172	1.2
417.05518	1.2
417.47485	1.1
419.07602	5.1
421.09256	5.3
425.08658	13.5
427.10233	16.2
433.09274	4.0
435.11304	1.3
437.08624	6.7
439.09943	2.1
449.08575	2.9
451.10214	7.3
453.12805	1.5
517.11359	4.4
527.09760	4.3
535.12146	2.3
541.11322	1.7
545.10889	7.0
553.11285	1.2
557.10553	1.3
559.12146	3.9
571.12836	3.4
577.12952	4.1
579.14948	4.8
589.14215	1.5
679.14209	3.7
697.15521	4.8
707.15186	1.4
715.15851	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	5.0
53.03947	31.8
55.01876	1.5
61.39726	0.7
65.61878	0.7
68.89484	0.7
69.45242	4.8
69.45568	1.3
77.03942	7.5
81.03416	3.3
95.04968	34.4
95.64987	0.7
96.05279	1.6
102.04688	6.7
103.05468	100.0
104.05769	4.2
105.04511	14.5
109.70634	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	1.2
51.02382	3.3
53.03949	25.6
54.04273	0.6
55.01865	1.5
58.06600	5.4
59.07377	1.9
60.08165	50.0
60.95858	3.9
62.92992	3.7
63.99973	0.4
69.03432	1.1
70.17255	0.4
72.86661	0.4
75.94541	0.8
77.03929	6.7
81.03429	2.5
86.06082	0.5
87.04474	2.0
95.04971	31.2
96.05291	1.2
96.75859	0.4
97.03162	0.4
102.04691	4.8
102.96870	1.4
103.00700	0.5
103.04049	0.6
103.05471	95.8
104.05806	5.1
104.10744	100.0
105.04514	14.8
120.97900	1.0
121.01682	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	1.2
51.02378	3.5
53.03951	33.1
53.46520	0.5
54.04272	0.7
55.01872	1.8
55.80009	0.5
59.77510	0.6
68.04668	0.6
69.60518	2.9
77.03941	8.1
81.03425	3.2
95.04969	34.5
96.05294	1.1
96.79272	0.5
98.22710	1.1
102.04689	6.2
103.05472	100.0
104.05798	3.7
105.04518	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.8
51.02378	3.3
53.03948	23.4
54.04274	0.6
55.01881	1.1
69.43937	1.5
77.03926	7.1
78.04262	0.3
79.99496	0.3
81.03413	2.4
95.04968	26.4
96.05314	0.6
98.23319	0.4
102.04694	4.2
102.41645	0.2
103.05469	100.0
104.05807	4.8
104.10764	0.5
105.04516	11.7
106.04845	0.3
109.06397	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
82.21050	13.6
93.06467	15.5
94.04179	13.9
137.05956	44.3
138.89337	17.2
151.07556	49.1
192.58711	16.0
255.10255	19.2
287.12894	36.5
331.15396	100.0
351.24265	31.9
351.74561	21.8
751.38116	19.4
798.46777	26.1
883.44470	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
77.49367	0.2
82.92210	0.2
88.60590	0.2
90.96202	0.2
102.84853	0.2
104.74832	0.2
133.06575	0.2
153.06978	0.3
155.04964	0.2
165.05440	1.0
165.06969	0.6
167.04942	0.2
167.08549	0.4
168.05635	0.2
169.06461	0.4
173.09586	0.2
179.08495	0.6
181.06473	0.6
182.07187	0.2
183.04366	0.6
183.07977	0.8
184.05212	0.3
185.06000	0.3
189.06953	0.2
192.09303	0.3
193.06418	0.7
194.07240	0.3
195.07996	0.6
196.05168	0.2
197.05986	1.2
197.09598	1.2
198.06737	1.8
199.07414	0.3
202.07780	0.2
203.08469	0.3
204.09167	0.2
204.32506	0.2
205.06689	0.2
205.10011	0.3
207.08009	0.7
207.11743	0.3
209.06012	0.3
209.09644	0.4
210.06763	1.7
211.03807	0.4
211.07535	1.7
212.04674	0.4
212.08194	0.3
213.05428	0.9
217.10300	0.2
219.08086	0.3
220.08817	1.4
221.06042	0.2
221.09497	0.6
222.10316	0.4
223.07515	0.6
224.04710	0.5
224.08290	0.4
225.05550	1.4
225.09113	2.1
226.06210	1.5
227.06956	0.6
230.01740	0.2
231.07973	0.4
232.08806	0.4
233.09601	0.6
235.07503	0.6
235.11182	2.2
236.04727	0.3
236.08257	0.3
236.11884	0.2
237.05373	0.4
237.08998	1.1
237.12776	0.4
238.06184	0.9
239.06998	1.7
239.10634	0.3
240.04092	0.5
240.07664	0.9
241.04964	2.7
241.08546	0.6
242.05656	0.6
245.09543	0.4
247.07532	0.7
248.08292	2.4
249.09137	1.5
250.06215	0.2
250.09834	0.7
251.03365	0.8
251.07057	0.7
251.10684	0.6
252.04114	0.3
252.07761	0.8
252.11348	0.7
253.04892	0.7
253.08588	2.1
254.05768	1.2
254.09320	0.4
255.06493	4.6
255.10089	0.7
256.07303	7.0
257.07846	0.6
261.09045	0.2
262.09805	0.9
263.07022	1.1
263.10635	4.6
264.07785	0.7
264.11307	0.8
265.04846	0.4
265.08569	2.1
265.12225	0.6
266.05792	0.5
266.09210	0.6
267.06503	0.8
267.10092	0.7
267.13742	0.8
268.03976	0.4
268.07257	1.5
269.04413	2.9
269.08035	2.4
270.05164	0.6
270.08511	0.4
271.06146	0.4
275.06854	0.4
276.07785	0.7
277.08505	1.4
277.11755	0.3
278.09378	1.6
279.06500	0.4
279.10101	1.5
280.08118	0.2
280.10953	1.9
281.04410	0.7
281.08051	0.9
281.11087	0.2
282.05203	0.6
282.08850	0.3
282.12292	0.3
283.05988	7.8
283.09570	2.2
284.06790	2.7
285.07565	1.1
289.08655	0.2
290.09348	0.5
291.06531	0.8
291.10110	3.4
292.07312	0.5
292.10889	0.9
293.08069	1.6
293.11679	4.7
294.08875	0.4
294.12366	1.4
295.06000	1.3
295.09637	1.1
295.13162	3.5
296.06842	2.2
296.10074	0.4
297.07553	4.0
298.04758	0.4
298.08191	0.5
299.05499	0.7
299.08957	0.2
300.06277	3.0
305.08066	0.5
306.08978	1.5
307.09683	3.1
307.13040	0.4
308.10309	1.2
309.07596	0.6
310.08267	2.8
310.11993	1.1
311.05609	0.4
311.09100	5.5
311.12704	0.3
312.06250	0.4
312.09433	0.4
313.07059	3.1
314.07822	33.8
315.08340	2.7
321.11194	14.0
321.15128	0.3
322.08148	0.2
322.11874	3.8
323.09100	2.3
323.12732	5.4
324.09775	0.6
324.13187	0.3
325.10629	0.3
325.14322	5.6
326.07794	0.9
326.14615	0.3
327.08621	3.5
328.09317	0.8
335.12958	0.3
336.13513	0.5
337.10818	0.4
338.11438	2.7
339.08502	0.4
340.09476	0.6
341.10184	4.9
342.10547	0.5
352.13092	1.8
353.13831	28.1
354.10455	0.3
354.14420	1.9
355.15399	0.4
368.12350	0.6
383.14874	100.0
384.15201	7.0
405.13083	5.2
406.13348	0.3
527.16760	7.1
528.17206	0.6
715.47125	0.2
726.72736	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.5499
Annotation	Unknow
Peak:m/z	Relative Intensity
103.50312	0.3
111.28819	0.3
133.02652	0.6
161.05682	0.2
184.07384	0.7
199.88895	0.2
269.15009	0.5
321.18207	0.3
337.17792	0.3
365.17108	0.4
379.18835	0.3
407.31366	0.3
415.22528	0.5
431.25766	0.3
445.27304	0.3
457.27136	4.3
458.27496	0.8
459.25461	0.4
473.26669	0.9
474.27689	0.4
475.28564	1.3
490.27081	0.6
501.26160	4.5
502.26886	0.5
517.25653	1.9
518.26221	3.6
519.27191	100.0
520.27521	10.0
520.35339	0.5
521.28113	1.5
527.28436	0.3
533.24133	0.6
534.24231	0.3
535.25665	14.7
536.26312	1.6
537.27612	1.0
590.24615	0.3
1031.51660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
75.70262	0.8
81.07034	1.0
93.07027	0.9
121.94726	0.8
127.86778	0.7
145.61440	0.7
155.08554	0.7
221.09698	0.8
225.09059	1.2
235.11200	1.2
237.05255	0.8
237.09111	1.3
239.07138	1.3
239.92790	0.7
240.07803	0.8
241.05029	0.8
244.51811	0.6
248.08511	0.8
249.09064	1.9
250.09856	0.7
251.07104	1.0
251.10680	1.2
253.08562	1.1
253.12073	0.9
256.07303	1.3
257.07996	1.9
259.05957	0.9
263.10626	2.2
264.11499	1.1
265.08563	2.5
265.12253	1.4
266.05862	1.5
266.09363	1.4
267.06540	2.5
267.13791	1.0
269.04456	0.8
269.11758	1.1
271.09879	0.9
273.07306	0.8
277.08615	1.4
278.09399	0.8
279.10229	2.9
280.07318	1.1
280.10870	2.4
281.08032	2.4
281.11694	5.3
281.25089	0.6
283.09714	1.2
284.06851	4.4
285.07559	8.6
285.10565	1.1
291.10242	2.0
293.08548	1.1
293.11649	3.4
294.08954	1.5
294.12338	1.3
295.09952	1.6
295.13266	4.3
296.14099	0.9
297.11200	2.1
299.09024	4.9
300.09860	2.5
306.12622	1.7
307.09641	2.1
308.10294	4.3
309.11182	8.3
310.11838	1.4
311.09262	1.4
311.12576	0.9
312.13477	1.5
313.14188	1.2
314.11469	5.2
317.09988	0.9
322.11917	2.6
323.12659	5.8
324.13486	2.9
325.10666	3.8
325.14355	4.3
325.55261	0.8
326.11545	1.5
327.15781	1.6
337.14105	1.1
340.13181	6.0
341.13809	15.0
341.17651	1.0
342.14120	1.2
355.11493	0.5
355.15369	26.2
356.16138	43.9
357.16620	3.4
359.18436	1.5
387.18005	100.0
388.18488	7.7
509.21613	1.5
926.62506	0.7
1035.48486	3.0
1066.60083	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
84.54321	0.8
102.17697	0.8
121.30428	0.7
128.00832	0.7
139.07559	0.9
157.70302	0.7
209.05911	0.8
210.06783	0.9
211.07545	2.7
213.05505	0.8
225.09093	1.4
227.06892	1.2
238.06265	1.4
239.07037	3.1
241.05014	1.1
243.06596	1.2
248.08293	1.0
249.09149	1.2
251.10672	0.8
252.07732	0.9
253.04958	0.9
253.08589	2.4
255.06682	1.7
256.07272	1.6
257.08145	0.9
263.10678	2.9
264.11401	1.1
265.08603	2.8
267.06537	3.7
267.10345	0.9
267.13800	0.9
268.07489	1.1
270.08719	1.6
271.06052	1.7
271.09518	1.7
279.10098	1.3
280.07770	1.0
280.11002	2.3
281.08157	1.9
281.11508	1.7
282.09030	0.8
283.06256	1.0
283.09729	1.3
284.06870	2.2
285.07529	2.8
285.10953	1.3
287.09067	1.5
291.10049	2.5
292.10834	0.9
293.08041	2.3
293.11874	0.9
295.10065	1.4
295.13312	5.5
296.13919	0.9
297.07764	0.9
297.11182	2.3
298.08224	2.3
299.09106	6.6
300.09827	1.2
301.07004	1.2
302.08087	1.0
303.08646	2.3
304.09360	5.6
308.10565	2.5
309.11243	3.7
309.14386	1.0
310.11685	1.0
312.13406	1.3
313.10672	7.5
313.13895	1.3
314.11292	0.9
316.09399	1.1
317.10187	1.8
318.10934	5.3
323.12753	10.2
324.13498	3.5
325.10736	2.4
327.15906	2.3
331.11942	3.9
332.12567	0.8
340.13126	1.1
341.13892	3.5
344.12573	0.9
345.13452	2.9
347.42987	0.8
355.11011	1.0
355.15369	21.2
356.16098	6.3
357.13461	1.8
372.15723	2.1
387.18002	100.0
388.18417	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1038.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05488	2.9
81.07043	5.5
82.09281	0.6
83.04986	1.3
88.72728	0.7
91.05492	3.5
93.07024	3.5
95.04962	1.6
95.08606	2.5
97.02905	5.2
98.22454	1.5
99.04474	1.2
101.27158	0.7
105.07047	4.2
107.08596	1.7
109.02894	1.8
109.06512	4.2
111.04474	0.9
111.08069	0.9
113.02386	0.8
115.03925	1.0
115.05519	1.0
117.07027	2.8
119.08588	4.1
121.06507	1.6
128.06258	1.7
129.06985	2.6
131.08533	3.5
133.06483	1.3
133.10109	6.8
135.08064	2.1
137.05983	9.7
141.06987	2.3
142.07787	2.1
143.08560	4.3
145.06470	0.9
145.10149	4.4
147.07954	1.0
147.11705	2.6
152.06160	0.7
153.07014	1.5
154.07718	2.2
155.08569	9.1
156.09311	2.5
157.06511	0.8
157.10103	4.3
159.08072	1.1
159.11703	2.9
161.09622	1.4
165.07048	2.3
166.07692	0.7
167.08580	3.0
167.09888	0.7
168.09363	1.6
169.10107	7.6
171.08121	0.9
171.11658	4.4
172.08788	0.7
173.09686	1.7
177.40930	0.7
178.07809	0.9
179.08582	3.9
181.10187	3.1
181.11696	0.7
182.07219	0.8
182.10863	1.3
183.11757	2.5
185.09666	1.2
185.13289	2.0
187.11227	2.4
189.09154	0.9
191.08574	1.3
192.09322	1.8
193.10092	3.6
194.10901	1.2
195.08142	1.5
195.11737	2.6
197.09601	6.3
197.13277	1.9
198.10088	0.9
199.11287	1.1
203.10670	0.6
204.09328	0.9
205.10100	1.7
206.10864	2.0
207.11757	4.6
208.12393	1.8
209.09554	1.6
209.13173	4.3
210.10580	0.8
211.11124	1.8
211.14850	1.0
213.12782	1.3
215.08705	1.0
215.10649	7.9
216.11139	0.7
217.10059	1.5
218.10910	1.2
219.11682	4.9
220.12546	0.9
221.13380	3.7
222.13847	1.0
223.11215	1.9
225.09193	0.8
225.12762	1.4
227.14349	1.2
229.10193	0.9
230.10901	1.5
231.11653	2.7
232.12596	1.4
233.09612	0.9
233.11453	1.1
233.13419	1.8
234.13881	1.1
235.11275	1.3
235.14867	1.9
237.12787	0.9
237.16435	0.8
243.11687	2.0
243.13889	1.1
244.12425	2.3
244.27489	0.8
245.09853	1.0
245.13197	4.1
247.11212	1.2
247.14880	2.2
248.15681	1.1
249.12794	1.0
249.16380	1.3
253.12335	1.4
255.11571	0.9
255.13895	2.8
257.13324	2.0
258.14136	2.0
259.11163	2.1
259.14804	3.8
260.15549	1.3
261.12680	1.2
261.16315	1.0
262.13626	0.9
267.13846	1.7
269.13339	0.9
271.14871	1.4
272.11932	1.0
272.15536	0.9
273.12570	0.7
273.16406	2.5
275.14389	1.0
275.17899	1.3
277.15979	1.0
281.15710	0.8
284.15692	2.0
285.16348	1.7
286.13422	1.0
286.17111	0.9
287.14304	3.5
287.17853	2.0
288.14786	0.7
289.15997	0.7
291.13910	0.8
296.15723	0.9
299.14407	1.6
300.15118	1.0
301.15863	1.6
301.19489	2.6
302.16644	1.2
303.17526	1.6
303.20966	1.1
305.15402	1.4
307.17191	1.0
313.19144	0.9
315.17426	1.0
317.15427	0.9
319.16821	1.7
321.18637	1.6
327.17505	1.1
329.18890	2.5
331.20676	1.7
339.19675	1.4
343.20462	1.2
345.18265	1.4
347.20053	6.9
348.20520	0.9
349.21719	2.0
357.20776	0.9
365.21252	4.6
367.22928	0.9
381.18497	0.7
411.22943	1.5
415.22534	2.0
429.24329	3.1
431.25909	2.5
439.22537	4.7
447.25388	2.5
457.23694	31.1
458.24152	3.3
475.24792	100.0
476.25058	10.7
493.25858	23.4
494.26114	2.0
511.27115	1.6
529.22101	0.8
628.80389	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01044	0.2
52.00810	0.1
54.83557	0.1
58.06599	5.6
59.07383	2.0
60.08165	55.6
60.86582	0.1
61.08498	0.7
69.49760	1.0
69.50048	0.3
75.44807	0.2
86.09719	0.3
104.10743	100.0
105.10416	0.2
105.11063	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68582	0.2
57.15984	0.2
58.06600	6.4
59.07383	1.8
60.08165	56.0
61.08497	0.7
67.96174	0.3
69.87153	0.8
87.04456	0.2
89.96574	0.2
103.53415	0.2
104.10744	100.0
105.10416	0.2
105.11069	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.9927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	13.0
59.23717	7.6
60.03110	6.6
62.92982	10.2
64.92810	28.1
79.05507	24.6
79.63539	7.5
88.07626	8.3
96.04501	18.6
103.05451	6.8
105.04540	10.9
105.07021	29.1
105.11095	10.2
106.06564	100.0
118.00076	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1040.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
86.42099	1.6
100.41807	1.9
106.89114	1.9
134.15381	1.7
145.78700	1.7
218.18752	1.8
257.08249	2.0
261.08911	2.1
263.10611	3.6
264.08261	2.1
264.11319	1.9
277.08664	2.9
278.09375	2.8
279.10339	2.5
280.10916	2.2
285.07596	2.2
292.10919	4.3
293.08453	1.9
293.11682	4.8
299.09122	5.1
306.12329	2.1
308.10400	2.8
312.09879	4.6
315.08603	5.0
316.09402	5.2
320.10416	2.6
321.11285	5.6
323.12842	6.1
326.11450	6.8
329.10089	2.7
330.10910	18.4
337.14441	9.0
338.15012	5.4
343.11874	2.7
350.11395	4.2
351.12277	24.5
352.12787	2.6
353.13736	4.5
354.14633	2.8
357.13248	4.4
368.16156	22.0
369.17062	14.7
381.13354	42.7
384.15427	3.5
399.18039	100.0
400.18231	6.6
533.38098	2.1
741.84839	2.4
988.42072	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1040.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
76.83677	1.8
98.22595	3.3
103.89697	1.9
105.03400	2.0
115.26339	1.9
142.97838	2.4
143.48610	2.2
157.95573	2.5
181.06502	2.0
189.73460	2.3
194.07401	2.3
205.06615	2.7
224.08411	2.7
237.05455	2.8
237.09109	5.1
245.80782	2.2
250.06108	4.5
252.07805	6.8
263.06995	2.8
264.07797	3.4
265.08578	14.7
267.06635	2.6
267.10175	9.1
268.07300	2.6
279.06656	3.4
280.46506	2.4
281.08035	2.2
282.08783	2.8
291.06470	2.2
293.08051	14.2
295.06436	4.1
295.09619	23.9
297.07703	2.3
297.11050	4.4
300.06180	3.0
309.07547	3.8
310.08438	2.4
311.09079	2.9
313.07251	2.7
315.08563	7.5
323.09125	6.0
325.10733	18.6
326.11551	2.3
327.08585	6.9
327.12238	5.6
328.09576	2.9
329.10175	7.5
339.12646	2.6
340.09375	3.5
341.10156	4.7
342.11047	15.7
355.11749	100.0
356.12112	6.4
357.13324	49.8
359.11111	3.4
367.11743	2.9
381.13562	4.7
399.14374	32.1
403.21045	5.5
531.19464	2.5
544.49554	2.2
637.20068	2.5
766.89423	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1042.5888
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05497	4.9
81.03407	2.0
81.07054	6.9
83.04984	5.2
83.08620	0.7
84.58880	0.5
91.04901	0.7
91.05471	10.9
93.07038	12.1
93.44365	0.5
95.04969	4.3
95.08605	18.1
96.61884	0.5
97.06524	2.0
103.05487	1.3
105.07035	12.9
106.07398	0.5
107.04966	1.2
107.08589	9.6
109.05879	0.5
109.06501	3.2
109.10137	4.9
111.04457	2.3
111.08079	3.5
113.06017	0.7
115.05449	1.8
117.07009	3.4
119.04953	0.8
119.08578	15.8
121.06503	5.5
121.10150	4.3
123.08065	8.3
123.11694	0.8
125.09615	1.1
128.06221	4.1
129.07022	4.6
130.07796	1.0
131.04938	0.7
131.08560	8.0
133.06496	4.0
133.10139	8.9
135.08041	4.8
135.11711	2.7
137.05962	0.8
137.06905	0.5
137.09650	1.0
139.07545	2.1
141.06998	2.5
141.09087	1.1
142.07809	4.1
143.08560	9.6
144.09300	0.6
145.06497	2.9
145.10124	9.3
146.07230	0.9
147.04410	1.8
147.08040	7.4
147.11720	4.8
149.05983	1.4
149.09631	2.8
149.13271	0.6
151.07579	1.0
152.06201	0.8
153.07008	1.4
154.07780	1.9
155.08537	5.4
156.09348	2.3
157.06512	3.0
157.10120	10.8
158.07298	1.0
158.10571	0.5
159.08047	5.6
159.11684	6.8
160.08910	0.8
161.05994	1.3
161.09607	6.4
161.13258	2.4
163.07541	0.6
163.11211	2.4
165.06993	3.4
166.07764	0.9
167.08540	3.3
168.09323	1.5
169.06566	0.7
169.10149	5.1
170.07176	0.7
170.10855	1.1
171.08054	6.8
171.11682	6.9
172.08788	1.0
173.06004	1.4
173.09604	5.5
173.13274	2.7
174.10229	0.7
175.07552	11.1
175.11200	5.8
175.14844	0.7
177.12732	0.8
178.07834	2.0
179.08534	3.7
180.09340	1.8
181.06525	1.7
181.10117	4.5
182.07224	0.8
182.10858	1.0
183.08168	2.4
183.11668	4.4
184.08742	1.0
185.06055	0.7
185.09618	7.5
185.13245	3.6
187.07527	5.5
187.11168	5.4
187.14806	1.0
189.09065	2.8
189.12753	4.1
191.08603	1.3
191.10680	0.7
192.09395	2.8
193.08591	0.9
193.10123	4.9
194.10800	2.9
195.08049	4.2
195.11708	7.1
196.08768	1.5
196.12465	1.4
197.05977	1.2
197.09621	5.5
197.13220	3.7
198.06703	0.8
198.10361	1.1
199.07487	3.2
199.11153	3.7
199.14818	2.0
201.09097	2.3
201.12700	2.4
202.07828	0.6
203.08598	1.5
203.10573	1.0
204.09332	1.4
205.10155	2.6
205.12146	0.8
206.10922	1.7
207.08084	1.5
207.11728	7.3
207.13689	1.0
208.08766	1.6
208.12410	1.5
209.05978	0.6
209.09642	4.6
209.13228	8.3
210.10403	1.5
211.07629	4.0
211.11171	9.5
211.14694	2.6
212.08115	0.7
212.11717	1.0
213.09145	4.9
213.12717	4.2
213.16325	0.8
215.08830	0.8
215.10606	2.4
215.14328	1.3
216.09396	0.6
217.08539	1.5
217.10146	2.1
217.11972	0.8
218.10860	1.7
219.08119	1.1
219.11693	4.1
220.08867	1.4
220.12509	1.7
221.09624	4.3
221.13213	4.8
222.10440	5.0
222.14049	0.9
223.07550	1.9
223.11169	10.5
223.14626	2.8
224.11800	1.6
224.15347	0.6
225.09129	2.3
225.12747	5.2
225.16338	1.2
226.09621	0.7
227.10741	4.1
227.14334	2.2
229.10181	1.1
229.12228	1.3
229.15900	0.9
229.82205	0.8
230.10947	0.8
231.11713	2.9
231.13864	1.7
232.08878	0.7
232.12436	2.0
233.09662	1.6
233.13347	4.1
234.10489	1.2
234.14061	1.0
235.07549	0.8
235.11191	7.1
235.14713	3.8
236.11867	1.5
236.15366	0.5
237.08998	1.4
237.12726	18.2
237.16542	1.3
238.13242	1.2
239.10736	2.9
239.14403	2.6
241.10167	0.7
241.12294	1.7
241.15852	1.1
243.11665	1.5
243.13852	0.7
244.12529	1.2
245.09592	1.2
245.13292	2.8
246.10445	1.2
246.14110	1.0
247.11172	5.6
247.14799	2.9
248.11931	2.2
249.09132	1.5
249.12759	5.1
249.16342	2.6
250.09958	1.0
250.13409	0.9
251.10645	2.4
251.14294	2.7
251.17941	0.8
253.12234	5.7
253.15851	1.3
255.13792	2.3
257.13483	0.9
258.14014	1.3
259.11182	2.2
259.14774	2.2
260.12015	1.4
260.15536	0.9
261.12769	3.7
261.16391	2.1
262.13501	1.5
263.10834	3.1
263.14331	7.9
263.17905	2.5
264.14752	1.0
265.12268	11.5
265.15790	1.7
267.10324	0.6
267.13712	2.4
267.17557	0.6
269.15524	1.2
271.13049	0.9
273.12851	1.7
273.16370	3.2
274.13446	1.4
274.16812	0.8
275.10773	1.7
275.14349	3.8
275.17972	2.3
276.15042	2.7
277.12317	2.9
277.15909	6.0
277.18997	0.7
278.12964	0.7
278.16525	0.8
279.13834	2.5
279.17331	1.3
281.11798	3.8
281.15326	1.0
281.19095	0.9
283.13184	5.4
285.16101	0.6
286.13431	0.7
287.11008	0.7
287.14319	1.6
287.18054	0.6
288.14969	0.8
289.12274	1.4
289.15842	2.7
289.18817	0.6
290.13126	0.6
291.13895	3.4
291.17453	9.2
292.14526	0.6
293.15396	2.4
293.19006	2.2
295.13788	0.7
295.17120	0.8
297.15082	0.8
297.18414	1.3
299.17822	0.8
300.15115	0.8
301.15881	3.6
301.19141	1.0
303.13846	1.2
303.17468	1.9
305.15164	2.4
307.13474	0.8
307.16931	2.2
309.14944	1.6
309.18570	3.3
313.19296	0.7
315.13953	1.1
315.19812	1.6
317.15408	2.1
317.19037	2.5
319.16940	6.1
319.20602	1.3
321.14902	0.6
321.18640	1.0
323.16577	1.0
327.19733	4.2
329.18936	0.7
331.16995	1.0
331.20544	0.8
333.18604	0.9
335.16495	0.8
335.19977	2.2
337.17984	4.6
339.19553	11.3
343.17047	0.6
343.20822	0.6
345.18347	2.4
345.20621	5.0
346.21051	0.6
349.21884	0.7
357.21329	1.4
361.17807	1.0
363.19519	4.3
364.19699	0.6
367.23871	0.7
371.20013	0.7
371.24069	0.8
373.21671	1.2
385.25226	1.8
389.20712	1.0
389.25195	0.8
391.22873	0.7
395.23547	1.7
399.23306	0.9
401.21384	0.7
403.26401	1.9
413.24792	10.0
414.25104	0.9
415.26541	2.5
417.24493	4.9
423.23138	2.0
431.25812	33.6
432.26251	3.9
433.27795	2.5
435.25497	0.7
441.24261	14.9
442.24847	1.2
449.26868	17.3
450.27353	1.8
459.25293	44.6
460.25723	4.6
467.28085	0.6
477.26361	100.0
478.26688	10.8
485.29111	2.7
495.27414	14.6
496.27512	1.1
505.41208	0.5
513.28412	1.9
1042.53113	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.5129
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07043	0.2
138.06120	0.1
138.58308	0.1
149.02124	0.5
222.13966	0.2
283.13129	0.4
363.15637	0.2
379.18597	0.3
381.16754	2.4
413.20874	0.6
415.22546	0.2
435.57877	0.1
437.20749	0.2
453.24030	2.3
457.23077	0.2
459.24991	0.2
460.25803	0.3
469.23782	0.3
471.25015	2.6
472.25424	0.3
476.25339	0.2
477.26270	0.4
478.26392	0.3
487.24667	0.3
489.26114	0.6
491.08466	0.2
497.23041	3.7
498.23459	0.5
515.24054	8.2
516.24280	1.1
533.25085	100.0
534.25421	10.6
760.95587	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
78.37968	1.7
79.52371	1.7
90.20422	1.8
129.45535	1.8
241.08594	2.1
260.40079	1.7
267.10364	2.6
278.09378	1.9
280.07401	1.9
282.08932	2.6
282.12213	2.1
283.09601	2.4
284.06836	3.1
294.08624	2.6
295.06360	2.5
295.09668	7.6
297.07602	3.2
297.11023	2.3
298.08353	2.2
299.09045	5.2
309.11246	4.6
310.11954	8.4
311.09085	3.8
311.12744	2.1
312.10037	5.2
313.10596	3.7
315.08829	3.0
315.12305	2.3
321.11145	2.0
325.10703	7.3
326.11514	6.3
327.08597	6.4
328.09503	2.5
329.10132	2.4
329.34598	1.9
340.12976	18.5
341.10107	7.9
341.13776	12.7
342.10916	9.6
343.11774	5.1
351.12332	3.7
356.12552	17.9
357.13162	2.2
358.10468	4.1
366.14499	6.9
371.15045	13.4
373.12686	9.0
373.98953	1.9
383.15002	3.0
415.17517	100.0
416.17682	8.0
782.51355	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
115.08480	0.8
138.90019	0.8
165.05519	0.8
168.95691	0.8
197.06058	1.6
210.06795	1.3
211.07503	2.6
220.08733	1.1
223.07443	1.0
225.09111	2.7
226.06268	0.9
235.07660	0.9
235.11139	2.2
239.06956	2.2
240.07829	1.0
241.04890	3.2
241.08609	1.0
248.08301	2.0
249.09074	1.5
253.08621	1.8
255.06647	5.0
256.07309	5.0
263.10825	4.9
264.11368	1.2
265.05139	1.1
265.08493	2.0
267.13620	0.8
268.07300	1.5
269.04639	2.2
269.08032	3.1
277.08768	1.0
278.09348	1.6
279.10193	1.3
280.10934	1.1
281.04495	0.9
283.06052	7.8
283.09604	3.1
284.06699	3.0
291.10156	3.4
292.11044	0.9
293.08655	1.3
293.11572	5.7
295.10010	1.4
295.13309	4.4
296.06833	1.7
297.07581	3.7
300.06219	3.7
306.08896	1.4
307.09540	2.9
307.12930	1.0
308.10513	0.9
310.08344	2.6
310.11777	0.9
311.09042	5.9
313.06931	3.5
314.07813	36.0
315.08502	3.9
321.11209	16.0
322.11951	5.1
323.09039	2.9
323.12759	5.3
325.14273	5.4
326.07660	1.2
327.08658	2.8
328.09387	1.3
338.11459	2.8
341.10175	5.7
352.13052	2.2
353.13809	27.9
354.14160	2.2
383.14874	100.0
384.15106	6.4
421.10315	2.8
543.14160	25.7
544.14478	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
133.02667	0.4
145.10121	0.1
161.05832	0.1
182.83220	0.1
247.68649	0.1
260.11743	0.1
260.15317	0.1
285.14471	0.1
319.17105	0.1
322.65277	0.1
351.19400	0.1
365.17252	0.2
377.17157	0.3
379.18814	0.3
381.20712	0.1
383.13354	0.2
383.18280	5.0
384.18509	0.3
386.09909	0.1
395.18152	0.1
415.22354	0.3
417.24493	0.1
419.18301	0.2
434.27737	0.1
455.25635	1.2
456.26294	0.1
460.25635	0.1
471.25696	0.1
473.26630	2.1
474.27362	0.1
489.26205	0.2
491.27820	1.2
499.24469	1.7
500.23978	0.1
517.25623	7.1
518.25946	0.6
533.25397	0.1
534.25494	0.2
535.26630	100.0
536.27020	8.1
694.79346	0.1
791.18256	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.544
Annotation	Unknow
Peak:m/z	Relative Intensity
102.22339	0.2
105.07040	0.2
139.03899	0.5
161.05844	0.3
176.72510	0.2
225.22256	0.2
283.65359	0.2
337.17761	0.4
351.19336	0.2
353.17209	0.2
367.18787	9.7
368.19128	0.6
397.19754	1.8
398.19858	0.2
405.24042	0.4
455.25659	1.5
473.26590	3.6
474.26883	0.2
489.26129	0.7
491.27579	4.6
492.28091	0.3
499.24640	0.3
517.25647	3.5
518.26202	0.2
533.24933	0.4
534.25385	0.5
535.26617	100.0
536.26941	8.2
551.24292	0.3
1047.52246	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03742	6.4
53.03952	65.9
53.20408	5.5
62.87183	5.5
68.82040	6.2
69.15261	49.4
69.15630	8.4
77.03925	13.1
79.05492	67.2
79.13641	5.8
81.03430	12.4
82.37873	5.8
95.04966	64.4
98.22589	11.0
98.23180	22.7
103.05470	31.8
105.03390	24.0
105.04507	30.6
105.07030	100.0
111.16965	8.0
114.14711	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	8.5
53.03952	66.0
54.68756	4.9
64.92802	7.1
65.03960	5.0
67.44376	4.8
69.80967	20.8
74.00638	5.0
77.03918	13.5
79.05501	56.4
95.04966	61.2
103.05458	30.0
105.03391	29.7
105.04525	30.0
105.07034	100.0
106.06597	26.5
106.07220	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	15.4
53.03951	93.1
53.04196	4.7
55.01860	4.3
59.85502	3.0
64.16302	3.5
69.05643	30.9
77.03944	19.3
79.05500	21.1
81.03408	9.1
95.04976	100.0
96.05286	5.0
99.70026	2.9
103.05469	12.9
103.42075	3.2
105.03400	60.2
105.04516	45.8
105.07026	33.5
106.06542	7.8
118.13436	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	3.9
51.02381	13.9
53.00306	1.6
53.03948	87.9
54.04275	1.7
55.01869	4.3
59.28614	0.8
64.92813	1.2
65.32587	0.7
75.52613	0.9
77.03924	18.6
79.05489	13.5
81.03416	10.2
95.04969	100.0
96.05293	3.4
98.22630	1.9
103.05469	9.5
105.03387	56.6
105.04510	49.6
105.07024	24.1
106.03716	2.4
106.04841	1.8
106.06552	2.3
118.06564	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	8.4
53.03715	5.5
53.03947	70.9
53.15165	4.5
59.30465	4.7
64.92819	7.3
69.80267	16.6
77.03909	11.4
79.05493	62.9
81.03432	4.7
91.66087	5.7
93.30159	5.0
94.04121	4.4
95.04978	56.7
103.05475	39.9
105.03410	28.7
105.04493	29.3
105.07030	100.0
106.06575	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	12.6
53.03950	78.5
68.82290	7.0
71.06303	6.4
71.31969	7.1
77.03931	21.6
79.05494	57.0
81.03421	9.3
85.69579	6.6
95.04971	70.9
98.78855	7.0
103.05482	38.4
105.03374	37.5
105.04529	33.1
105.07030	100.0
106.06564	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	17.3
53.03949	89.5
55.22623	4.9
55.95091	5.4
56.34742	4.9
64.92810	5.6
69.15506	14.1
69.15915	29.8
77.03939	23.1
79.05492	64.9
81.03447	9.5
95.04967	91.2
103.05450	33.8
105.03396	42.8
105.04498	41.7
105.07036	100.0
106.03719	6.1
109.44403	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	15.6
53.03942	92.3
53.40813	14.2
57.90273	14.3
69.08185	65.1
69.08611	66.4
72.93073	15.1
77.03936	20.5
94.45039	14.3
95.04961	100.0
105.03403	48.0
105.04502	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	3.0
51.02385	14.3
53.03949	98.4
54.04284	1.9
55.01862	3.2
56.78612	1.2
64.92809	3.3
71.31465	2.3
77.03935	15.7
79.05501	19.2
81.03419	9.8
81.55104	1.1
86.64822	1.3
93.70451	1.1
95.04969	100.0
96.05318	2.7
97.71989	1.3
103.05463	10.6
105.03403	61.0
105.04502	45.7
105.07029	33.5
106.03722	3.6
106.04856	1.8
106.06565	4.7
106.07254	1.3
118.06536	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	12.3
53.03945	100.0
56.43217	3.2
69.10352	27.1
73.22060	2.9
77.03922	20.3
79.05478	5.2
81.03419	8.9
95.04364	5.2
95.04967	98.2
103.05470	3.6
105.03394	65.8
105.04494	41.9
105.07029	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.7
53.03951	16.5
55.01865	0.9
62.21435	0.5
65.03933	1.2
69.18935	2.2
69.19352	1.7
77.03929	3.1
79.05496	57.5
80.05824	1.6
81.03421	1.1
92.97701	0.6
95.04969	17.9
96.05329	0.6
98.23315	0.8
103.05473	34.1
104.05812	1.5
105.04533	7.9
105.07033	100.0
106.06567	2.3
106.07371	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.8
51.02378	2.6
53.03948	15.8
54.00277	0.2
54.04271	0.5
54.86055	0.2
55.01872	1.0
55.68391	0.3
59.42494	0.2
60.13713	0.2
60.36987	0.3
69.65053	0.2
71.09863	0.3
77.03932	5.9
77.04382	0.3
79.05493	63.0
80.05829	2.0
81.03423	2.0
95.04967	19.0
96.05267	0.4
103.05468	44.3
104.05779	1.6
105.04532	7.9
105.07030	100.0
106.07364	4.0
115.60485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.7
50.26351	0.2
51.02376	2.5
53.03945	13.3
53.56165	0.2
54.04286	0.4
55.01868	0.7
57.09430	0.2
62.01584	0.2
65.03959	0.2
69.49090	1.0
71.67391	0.2
75.01125	0.2
77.03925	5.1
77.04337	0.4
79.05489	58.4
80.05822	2.1
81.03429	1.7
85.89673	0.2
95.04967	18.2
96.05299	0.4
103.05464	44.3
104.05767	1.5
105.04527	8.3
105.07025	100.0
106.04882	0.3
106.07357	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01602	0.7
51.02383	2.0
53.03949	14.0
53.04208	0.8
54.04284	0.9
55.01873	1.0
55.24450	0.3
65.03943	1.1
69.09480	3.5
70.00413	0.4
77.03925	4.0
78.04667	0.5
79.05495	56.2
80.05830	1.6
81.03407	1.4
91.32037	0.4
95.04356	0.8
95.04967	16.0
96.05299	0.6
103.05470	30.5
104.05799	1.5
105.04544	7.0
105.07032	100.0
106.06634	0.8
106.07370	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02373	2.4
51.11668	0.4
53.03947	17.5
55.01867	0.8
63.31469	0.5
65.03956	1.4
70.03749	1.2
70.04131	1.1
76.63787	0.5
77.03930	4.7
79.05494	57.2
80.05839	1.5
81.03423	1.6
85.96021	0.5
95.04971	16.0
96.68546	0.5
98.22588	0.5
103.05469	35.0
104.05773	1.3
105.04530	7.8
105.07030	100.0
106.06635	1.0
106.07343	5.1
120.63389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01599	0.6
51.02377	2.4
51.46777	0.2
53.03946	14.1
54.04288	0.4
55.01868	0.8
71.10062	0.5
77.03927	5.5
79.05490	58.9
80.05820	1.9
81.03413	1.7
88.40697	0.2
90.24474	0.3
95.04967	18.0
96.05293	0.6
103.05464	44.1
104.05767	1.8
105.04527	7.5
105.07025	100.0
106.07370	4.0
108.83423	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.7
51.02379	2.6
53.03947	13.4
54.04265	0.4
55.01881	1.1
60.04507	0.3
60.08142	0.2
61.08476	0.3
61.68018	0.2
64.92805	1.3
69.86447	1.2
77.03928	3.7
78.04684	0.3
79.05491	59.5
80.05819	1.8
81.03410	1.8
92.22527	0.3
95.04967	18.4
96.04490	0.6
96.05313	0.7
103.05466	41.9
104.05762	2.1
104.90824	0.5
105.04528	9.8
105.07025	100.0
105.11050	1.5
106.04901	0.3
106.06549	10.8
106.07351	4.3
117.17976	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02393	2.5
53.03948	16.4
55.01861	0.8
60.61884	0.5
65.03935	1.6
71.15836	0.5
77.03915	3.3
79.05494	54.6
80.05837	1.6
81.03420	1.6
95.04970	16.3
96.04534	0.7
96.05283	0.6
103.05467	35.8
104.05761	1.2
105.04541	7.2
105.07030	100.0
106.06556	2.1
106.07355	4.6
119.60853	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01604	0.7
51.02381	1.8
53.03948	19.7
53.16225	0.6
57.31973	0.6
65.03941	1.0
69.53432	3.8
77.03915	3.7
79.05494	55.4
80.05837	1.4
81.03419	1.7
94.20689	0.6
95.04965	15.7
96.44519	0.5
98.23318	1.1
103.05467	41.1
104.05779	1.3
105.04520	8.2
105.07029	100.0
106.06558	5.0
106.07355	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01578	1.2
51.02383	1.5
53.03715	1.1
53.03946	18.0
54.04271	1.4
55.01864	1.1
62.64468	0.8
64.92800	3.6
65.03929	3.7
71.31357	1.3
77.03928	4.3
77.04340	0.8
78.91558	1.0
79.05492	59.6
80.05819	1.2
81.03416	1.5
91.05461	4.0
95.04966	18.7
98.83645	0.8
103.05463	34.1
104.05810	1.1
105.03383	1.1
105.04532	9.1
105.07027	100.0
105.11083	1.4
106.06547	7.0
106.07351	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02379	2.5
52.76277	0.9
53.03947	14.6
64.92796	2.9
65.03929	3.6
69.90455	2.0
69.90840	3.5
75.59281	0.9
77.03924	3.6
77.44588	0.9
79.05492	56.9
80.05827	2.7
81.03432	1.4
81.05717	1.0
90.42843	0.9
90.95676	1.0
91.05479	3.1
95.04972	17.5
96.04487	1.6
103.05467	38.9
104.05766	1.1
104.70401	0.9
105.03505	0.9
105.04526	10.0
105.07029	100.0
106.06551	9.6
106.07362	4.4
116.87850	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.575
Annotation	Unknow
Peak:m/z	Relative Intensity
111.44037	0.1
125.35268	0.1
184.07558	0.1
284.27649	0.1
449.26480	0.6
450.26328	0.2
451.28162	0.6
457.27054	0.2
475.28177	2.4
476.28714	0.3
477.26199	0.5
488.20547	0.1
493.29239	9.4
494.29593	0.8
519.26965	0.5
537.28204	100.0
538.28540	9.6
553.25653	1.0
1051.47974	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1052.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
98.22576	10.5
113.06025	8.4
129.87334	3.7
158.72356	2.8
178.14345	3.0
218.49583	3.2
229.90427	4.5
267.10092	10.1
271.09595	3.8
279.06491	3.8
284.06857	5.8
294.08813	3.9
295.09610	10.2
297.07925	6.5
297.11209	9.7
299.05859	3.6
299.09039	16.4
300.09546	4.4
309.11194	4.1
310.08356	5.1
311.09076	4.0
311.12604	4.2
312.10052	6.1
313.10815	3.9
319.72266	3.4
325.10803	18.8
326.07880	7.0
327.08575	13.0
329.10172	3.9
339.11819	4.4
340.13055	38.4
341.13812	8.0
342.07333	4.5
342.10864	19.5
343.11740	3.9
351.12070	6.5
355.11642	11.8
356.12402	8.6
366.14670	4.6
367.15604	5.0
371.14862	24.7
373.12646	5.1
391.66821	3.8
399.14307	39.7
415.17520	100.0
416.17798	4.9
537.30615	3.5
538.30365	4.3
641.51965	3.3
654.18762	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1058.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
86.36144	0.4
91.19284	0.4
98.23377	0.6
99.60320	0.3
100.85118	0.4
105.03400	2.6
125.61183	0.4
165.07030	0.7
172.37610	0.3
173.06950	0.4
179.08527	1.2
181.06485	1.1
182.07179	0.4
183.08014	1.0
189.07050	0.4
194.07304	0.5
195.08052	0.5
196.08932	0.5
197.05931	1.0
198.06732	0.8
199.07526	0.8
205.06541	0.7
206.07385	0.5
207.08075	1.6
208.08809	0.4
209.06015	0.9
209.09732	0.6
210.06804	1.2
211.07541	2.0
211.11203	0.5
213.09167	0.5
219.08076	0.6
221.09729	0.5
222.06770	0.4
223.07552	0.6
224.08289	1.9
225.05495	1.0
225.09114	1.0
226.06306	0.7
227.07036	1.3
234.06709	0.4
235.07555	3.0
236.08165	0.8
237.05476	1.0
237.09126	2.2
238.06242	0.6
238.09952	0.5
239.07091	2.1
239.10750	2.4
240.07787	1.1
241.04955	0.8
241.08574	2.0
242.05722	0.8
247.07533	0.5
249.09244	0.8
250.06238	0.7
250.09956	0.8
251.07054	0.9
251.10648	0.3
252.07852	2.6
253.05013	1.3
253.08496	1.6
254.05704	1.0
254.09418	0.7
255.06544	2.5
256.07327	1.2
257.08167	0.7
261.09106	0.9
263.06985	2.0
264.07822	0.8
265.05502	0.6
265.08618	4.1
265.12247	1.1
266.09366	1.7
267.06635	1.5
267.10178	7.5
268.07355	3.0
269.04807	0.5
269.08102	2.3
269.11676	0.8
270.05417	0.8
270.08527	0.8
271.06213	0.6
271.09576	0.5
277.08591	0.8
278.06119	0.4
278.09366	1.4
279.06390	1.2
279.09833	0.7
280.07324	1.6
281.04413	1.5
281.08002	1.0
281.11597	0.4
282.05646	0.5
282.08743	2.5
283.06094	2.4
283.09641	1.3
284.06763	2.7
285.07489	4.0
291.06644	0.4
291.10156	0.5
292.10861	0.5
293.08075	2.7
293.11639	1.5
294.08783	1.6
295.06024	1.4
295.09583	8.1
296.06808	1.7
296.10364	1.5
297.04251	0.5
297.07584	4.7
297.11218	6.3
298.04843	0.9
298.08319	1.2
298.11630	0.6
299.05545	2.1
299.09155	7.2
299.12296	0.7
300.09668	0.6
305.08127	0.6
307.09720	0.5
308.10562	0.7
309.07718	0.6
309.11057	0.7
310.08221	2.1
311.05499	3.2
311.09235	1.3
312.06168	1.0
312.09973	1.3
313.07056	4.2
314.07751	0.8
315.08438	0.4
319.09573	1.0
321.07431	1.3
321.11197	1.3
322.08459	0.5
323.12729	1.1
324.09882	2.1
325.07138	0.8
325.10651	16.3
326.07843	11.8
326.11197	1.1
327.04901	1.6
327.08588	6.7
327.12296	2.1
335.09113	0.7
336.09750	0.8
337.10574	1.1
339.12326	0.9
340.09262	1.7
341.10129	1.1
342.07263	4.7
342.11035	0.4
350.11475	0.6
351.12314	4.7
355.11743	20.1
356.12039	1.4
357.09683	10.3
358.10062	0.8
369.13330	5.0
371.15112	0.7
381.13208	2.4
399.14380	100.0
400.14691	7.7
452.18390	0.4
503.16919	0.5
537.20972	1.2
538.21454	1.1
567.87341	0.4
928.84277	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1058.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
75.49237	0.6
85.14342	0.7
102.23497	0.7
202.64043	0.6
211.07497	0.9
242.05586	0.7
249.09213	0.9
251.07076	0.7
253.08707	0.7
254.09232	0.9
255.06570	2.0
256.07413	1.5
257.08118	1.1
263.10678	0.9
264.11404	1.0
267.06595	0.7
269.08240	1.0
272.06808	0.9
279.10254	0.9
279.13678	1.0
280.10959	0.8
281.07953	0.9
283.09586	1.3
284.06729	1.9
285.07495	2.4
285.10654	0.8
291.10175	2.0
293.11807	1.2
295.13333	2.8
296.10526	0.7
297.07660	1.5
299.09097	8.0
300.06238	2.8
306.12424	1.5
307.09695	1.6
307.13171	1.1
308.10391	1.0
309.11249	1.0
309.14685	1.6
310.15698	1.4
311.09137	1.9
312.09882	4.6
313.07269	0.9
313.10681	1.9
314.07919	0.7
315.08691	5.3
316.09494	3.0
322.12018	2.2
323.12659	4.0
325.10602	1.1
326.11459	7.0
327.12210	1.5
328.09384	0.9
329.10165	2.5
330.10968	14.8
331.11661	1.6
337.14352	7.8
338.15097	3.4
339.12238	1.3
341.17511	1.8
342.11029	1.1
343.11963	3.2
353.13834	7.4
354.14429	1.5
357.13281	2.8
368.16180	18.6
369.16901	8.8
372.29501	0.6
384.15576	2.3
399.18008	100.0
400.18350	7.4
566.55780	0.7
757.48926	0.7
875.78076	0.7
885.46741	0.7
1046.99451	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1060.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05495	13.6
81.03416	42.3
81.07053	12.8
83.04979	5.5
83.08624	8.2
85.02913	1.1
85.06614	0.9
91.04897	1.1
91.05476	17.4
93.07034	7.6
95.04969	17.5
95.05553	1.6
95.08611	6.2
97.02889	1.9
97.06538	2.8
97.10173	2.5
98.23338	1.8
103.05475	1.6
105.07018	11.9
107.04959	9.2
107.08622	4.8
109.02892	1.0
109.06509	7.0
109.10132	1.5
111.04466	3.0
111.08095	2.5
115.05405	3.8
116.58297	0.6
117.07031	4.1
119.08594	8.1
119.83261	0.6
121.06513	4.1
121.10151	4.7
123.04439	4.0
123.08060	1.7
125.09644	2.5
128.00275	0.9
128.06195	1.2
129.06990	8.3
131.04956	1.9
131.08557	6.6
133.06516	3.0
133.10121	2.8
135.04486	1.5
135.08066	3.5
135.11656	1.4
137.09627	1.8
139.05466	1.2
141.06993	3.4
142.07774	1.4
143.04926	1.6
143.08594	1.9
145.06503	2.1
145.10097	3.8
147.04436	3.1
147.08020	2.0
147.11699	3.5
149.05984	2.1
149.09631	3.9
151.03920	1.1
153.07018	3.5
155.04910	1.8
155.06055	0.9
155.08549	1.2
157.06499	3.4
157.10141	5.7
159.08101	1.4
161.05956	12.5
163.03915	8.3
163.11177	4.9
165.05530	2.7
165.06996	1.8
167.08575	2.8
169.06497	3.1
171.04463	1.3
171.08109	2.1
173.05980	82.8
173.09415	3.8
174.06339	1.9
175.03873	2.1
175.07506	4.1
175.11182	3.6
177.05458	0.8
179.08580	1.7
181.06493	6.5
182.06752	0.9
183.08044	1.8
185.05989	6.9
187.03967	2.6
187.07542	17.0
189.05479	6.8
189.09085	1.3
191.03429	1.9
191.10692	2.7
191.14351	3.5
193.06499	1.0
193.12256	11.5
195.08107	3.1
197.05971	6.6
198.06699	0.9
199.03870	1.6
199.07544	19.7
199.09282	1.3
200.07938	0.9
201.05457	28.3
201.09053	1.8
202.05794	1.5
202.07555	0.8
203.07024	1.7
207.08029	1.5
209.06003	1.6
209.09732	1.1
209.11748	0.9
210.06691	1.6
211.04111	0.9
211.07527	10.3
211.13214	0.8
212.08173	1.0
213.05481	13.6
213.09050	9.6
214.06024	1.0
215.03548	1.0
215.07001	5.7
217.04951	100.0
218.05373	3.2
219.11690	1.4
219.13794	20.8
219.15833	1.4
221.09758	1.5
223.07530	4.5
225.05472	4.7
225.09100	4.2
226.06149	1.4
227.07031	10.0
227.10605	1.8
227.12794	1.4
228.07722	1.2
229.04935	12.0
229.08463	1.9
230.05618	0.8
231.06432	1.3
235.07625	1.8
236.08397	0.8
237.09152	2.7
238.12390	0.9
239.07063	3.2
239.10686	1.4
241.04919	1.9
241.08667	3.3
241.12234	1.6
243.06577	3.6
249.09177	1.4
249.12666	1.3
249.14929	1.7
250.09840	1.0
251.07111	1.5
251.10709	1.3
253.08618	1.5
253.12233	1.1
255.06580	1.0
255.13846	2.4
257.15292	1.5
263.12860	1.4
265.09442	0.7
265.12140	3.7
267.13699	2.8
267.16016	22.3
275.10703	1.7
275.16470	1.0
277.08539	0.9
281.15424	2.4
283.13242	5.4
285.14822	3.2
291.13797	2.2
293.11673	2.2
295.13171	1.1
299.16434	1.6
309.14832	3.4
311.12759	25.6
312.13174	1.3
313.14310	9.1
317.17346	1.2
319.15897	1.5
327.15930	5.0
329.13818	69.0
330.14270	3.3
337.14026	6.3
347.14914	1.9
355.15356	17.2
355.19586	1.2
373.16489	6.3
377.17307	0.9
385.16437	94.7
386.16708	4.3
387.18033	1.1
391.17276	1.0
395.18439	0.9
403.17538	12.0
411.18097	4.9
429.19025	25.9
430.19424	1.4
447.20087	3.4
475.24936	1.2
485.17990	3.0
501.25879	0.9
503.24387	1.1
521.25201	1.3
529.25824	3.4
547.27332	4.5
559.21552	1.3
565.27582	2.3
575.29468	0.9
577.28650	4.8
586.77502	1.0
593.30542	2.2
595.28955	24.5
596.29114	2.0
603.29773	14.9
604.29614	1.5
621.31055	38.8
622.30420	3.1
639.31598	28.1
640.31714	3.2
663.55383	1.0
769.33710	2.4
795.35120	3.2
813.36969	17.9
814.36859	2.6
831.37848	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1060.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05495	13.6
81.03416	42.3
81.07053	12.8
83.04979	5.5
83.08624	8.2
85.02913	1.1
85.06614	0.9
91.04897	1.1
91.05476	17.4
93.07034	7.6
95.04969	17.5
95.05553	1.6
95.08611	6.2
97.02889	1.9
97.06538	2.8
97.10173	2.5
98.23338	1.8
103.05475	1.6
105.07018	11.9
107.04959	9.2
107.08622	4.8
109.02892	1.0
109.06509	7.0
109.10132	1.5
111.04466	3.0
111.08095	2.5
115.05405	3.8
116.58297	0.6
117.07031	4.1
119.08594	8.1
119.83261	0.6
121.06513	4.1
121.10151	4.7
123.04439	4.0
123.08060	1.7
125.09644	2.5
128.00275	0.9
128.06195	1.2
129.06990	8.3
131.04956	1.9
131.08557	6.6
133.06516	3.0
133.10121	2.8
135.04486	1.5
135.08066	3.5
135.11656	1.4
137.09627	1.8
139.05466	1.2
141.06993	3.4
142.07774	1.4
143.04926	1.6
143.08594	1.9
145.06503	2.1
145.10097	3.8
147.04436	3.1
147.08020	2.0
147.11699	3.5
149.05984	2.1
149.09631	3.9
151.03920	1.1
153.07018	3.5
155.04910	1.8
155.06055	0.9
155.08549	1.2
157.06499	3.4
157.10141	5.7
159.08101	1.4
161.05956	12.5
163.03915	8.3
163.11177	4.9
165.05530	2.7
165.06996	1.8
167.08575	2.8
169.06497	3.1
171.04463	1.3
171.08109	2.1
173.05980	82.8
173.09415	3.8
174.06339	1.9
175.03873	2.1
175.07506	4.1
175.11182	3.6
177.05458	0.8
179.08580	1.7
181.06493	6.5
182.06752	0.9
183.08044	1.8
185.05989	6.9
187.03967	2.6
187.07542	17.0
189.05479	6.8
189.09085	1.3
191.03429	1.9
191.10692	2.7
191.14351	3.5
193.06499	1.0
193.12256	11.5
195.08107	3.1
197.05971	6.6
198.06699	0.9
199.03870	1.6
199.07544	19.7
199.09282	1.3
200.07938	0.9
201.05457	28.3
201.09053	1.8
202.05794	1.5
202.07555	0.8
203.07024	1.7
207.08029	1.5
209.06003	1.6
209.09732	1.1
209.11748	0.9
210.06691	1.6
211.04111	0.9
211.07527	10.3
211.13214	0.8
212.08173	1.0
213.05481	13.6
213.09050	9.6
214.06024	1.0
215.03548	1.0
215.07001	5.7
217.04951	100.0
218.05373	3.2
219.11690	1.4
219.13794	20.8
219.15833	1.4
221.09758	1.5
223.07530	4.5
225.05472	4.7
225.09100	4.2
226.06149	1.4
227.07031	10.0
227.10605	1.8
227.12794	1.4
228.07722	1.2
229.04935	12.0
229.08463	1.9
230.05618	0.8
231.06432	1.3
235.07625	1.8
236.08397	0.8
237.09152	2.7
238.12390	0.9
239.07063	3.2
239.10686	1.4
241.04919	1.9
241.08667	3.3
241.12234	1.6
243.06577	3.6
249.09177	1.4
249.12666	1.3
249.14929	1.7
250.09840	1.0
251.07111	1.5
251.10709	1.3
253.08618	1.5
253.12233	1.1
255.06580	1.0
255.13846	2.4
257.15292	1.5
263.12860	1.4
265.09442	0.7
265.12140	3.7
267.13699	2.8
267.16016	22.3
275.10703	1.7
275.16470	1.0
277.08539	0.9
281.15424	2.4
283.13242	5.4
285.14822	3.2
291.13797	2.2
293.11673	2.2
295.13171	1.1
299.16434	1.6
309.14832	3.4
311.12759	25.6
312.13174	1.3
313.14310	9.1
317.17346	1.2
319.15897	1.5
327.15930	5.0
329.13818	69.0
330.14270	3.3
337.14026	6.3
347.14914	1.9
355.15356	17.2
355.19586	1.2
373.16489	6.3
377.17307	0.9
385.16437	94.7
386.16708	4.3
387.18033	1.1
391.17276	1.0
395.18439	0.9
403.17538	12.0
411.18097	4.9
429.19025	25.9
430.19424	1.4
447.20087	3.4
475.24936	1.2
485.17990	3.0
501.25879	0.9
503.24387	1.1
521.25201	1.3
529.25824	3.4
547.27332	4.5
559.21552	1.3
565.27582	2.3
575.29468	0.9
577.28650	4.8
586.77502	1.0
593.30542	2.2
595.28955	24.5
596.29114	2.0
603.29773	14.9
604.29614	1.5
621.31055	38.8
622.30420	3.1
639.31598	28.1
640.31714	3.2
663.55383	1.0
769.33710	2.4
795.35120	3.2
813.36969	17.9
814.36859	2.6
831.37848	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1060.5988
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05505	3.8
81.07056	8.1
83.04986	4.3
91.05489	6.6
93.07049	11.2
95.04964	4.5
95.08607	18.6
98.22648	3.8
105.07011	8.5
107.08598	6.4
109.10200	4.7
111.04443	2.4
111.08081	2.4
117.07036	2.9
119.08582	11.1
121.10153	5.7
123.08060	4.4
128.06233	2.3
129.07005	4.2
131.08569	7.5
133.10127	6.8
135.08014	2.1
135.11697	2.0
139.07545	3.2
141.99588	1.9
142.07802	3.0
143.08568	10.6
145.06442	2.6
145.10121	14.9
147.11693	5.2
155.08578	6.2
156.09303	4.0
157.06627	2.0
157.10115	15.0
159.08060	2.6
159.11658	10.9
161.09639	6.3
161.13322	3.5
163.11180	2.5
165.07034	3.0
166.07857	2.1
167.08585	3.5
168.09367	2.4
169.10152	7.0
170.10905	3.7
171.08000	1.8
171.11693	10.2
173.09689	3.6
173.13345	5.2
175.11189	4.8
179.08464	2.0
180.09367	2.4
181.10158	7.3
182.10982	2.1
183.11731	7.0
185.09627	2.2
185.13301	7.9
187.11249	2.9
187.14751	2.1
189.12733	3.8
189.16367	1.8
192.09464	2.1
193.10220	7.0
194.10844	4.3
195.11763	8.6
195.37173	2.1
197.09602	3.5
197.13297	7.2
199.07645	2.6
199.11171	3.4
199.14824	4.1
201.12750	2.4
207.11745	7.4
208.12422	2.5
209.13205	10.9
211.11182	4.1
211.14861	5.6
213.12643	2.7
213.16425	2.6
215.14345	2.6
221.13242	3.6
222.13878	3.0
223.11200	3.5
223.14804	3.9
225.12737	2.9
227.14464	2.7
227.17807	3.3
229.12451	2.6
233.13203	2.5
235.11296	4.1
235.14763	5.0
237.12746	4.0
239.10725	3.0
239.14316	3.7
241.12309	2.5
244.12450	2.2
247.14873	3.8
249.12813	2.8
249.16469	8.5
251.14305	4.6
251.17996	2.6
255.13705	2.5
261.16858	2.2
263.14450	2.0
265.15884	4.1
267.17184	2.6
269.15448	4.0
269.18918	1.9
277.15942	5.1
281.15463	2.7
293.15274	2.3
293.18774	2.3
295.16827	9.9
303.17450	2.8
313.18085	2.1
321.18518	4.8
339.19522	2.9
349.21552	2.7
367.26358	7.2
369.24283	4.6
373.21469	2.8
377.21008	3.8
389.24634	4.8
391.22580	7.5
391.26465	5.9
395.22269	2.5
399.23068	5.7
407.25797	6.0
409.22784	2.4
409.27640	22.4
410.27222	2.5
417.24231	25.2
418.24142	2.6
435.25278	59.5
436.25531	3.9
453.26346	100.0
454.26498	10.7
475.24353	2.2
529.20605	2.2
529.28021	25.8
530.27545	2.0
532.33002	4.9
551.26007	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
105.03411	1.1
165.05545	0.5
165.06963	0.7
179.08560	0.6
195.07973	0.5
196.08887	0.4
197.05965	0.9
198.06610	0.6
199.07491	0.6
200.42926	0.3
204.07829	0.4
207.08006	0.4
209.05913	0.7
209.09535	0.4
210.06741	0.9
211.07588	1.2
213.05666	0.4
213.09052	0.4
218.07481	0.7
219.08087	0.6
221.05914	0.5
221.09567	0.5
222.06689	0.9
223.07602	0.8
224.08298	1.9
225.05452	0.5
225.09113	1.3
226.06192	0.6
227.06979	2.4
229.08669	0.4
233.09616	0.9
235.07541	2.8
235.11111	0.5
236.08417	0.9
237.05446	2.0
237.09184	1.9
238.06204	0.7
239.07033	1.0
239.10686	1.4
240.04068	0.4
240.07896	1.1
241.04987	0.4
241.08591	1.4
247.07486	1.2
249.05528	0.4
249.09099	1.1
250.06273	1.2
250.09956	1.4
251.07010	1.5
251.10521	0.5
252.07750	2.1
253.04950	1.0
253.08560	1.8
254.05806	0.9
254.09143	0.8
255.06506	7.3
255.10201	0.9
256.07208	0.8
257.04306	0.5
260.08414	0.7
261.09164	1.4
262.09903	0.6
263.07077	2.7
263.10782	0.6
264.07962	0.8
265.05078	1.2
265.08603	3.0
265.12149	0.7
266.05756	0.8
266.09241	0.5
267.06546	1.1
267.10181	5.0
268.07281	1.6
269.08148	2.3
269.11362	0.8
270.05093	0.6
270.08752	0.8
271.06052	1.2
275.07019	0.8
276.07803	0.5
277.08582	3.7
278.09363	4.2
279.06772	0.9
279.10205	1.5
280.07245	2.4
281.08105	3.3
282.08792	1.9
283.06024	5.7
283.09622	1.3
284.06656	1.5
285.07639	2.6
286.08490	0.5
289.08600	1.6
290.09271	0.6
291.06686	0.5
291.10168	1.4
292.07559	0.5
292.10983	1.3
293.08096	2.9
293.11713	5.7
294.08731	0.9
294.12115	0.6
295.06003	1.5
295.09647	5.6
296.06937	0.9
296.10358	1.4
297.07559	2.7
297.11218	4.3
298.08340	27.0
299.09045	5.5
299.12445	0.5
300.06232	0.6
300.09464	0.5
301.07098	1.0
301.10611	0.9
305.08017	3.2
306.08789	3.1
307.09616	2.2
308.06940	0.8
308.10425	1.2
309.07513	3.0
309.11020	0.7
310.08191	1.1
310.11752	0.7
311.05490	1.7
311.09140	2.6
312.06598	0.7
312.09967	2.5
313.07211	1.9
313.10660	19.4
314.07739	0.9
314.11060	0.9
315.08633	1.8
319.09607	1.3
320.10352	2.3
321.07553	2.6
321.11200	12.8
322.08453	0.8
322.11850	1.8
323.09103	2.9
323.12814	1.6
324.13400	0.5
325.07068	0.7
325.10794	6.7
325.14392	1.3
326.07861	9.4
326.11374	1.6
327.08487	3.6
327.12311	5.6
328.09369	2.1
329.10242	1.5
336.09937	5.8
337.10666	5.0
338.07837	0.7
338.11401	4.1
339.08530	0.7
339.12241	2.0
340.12964	0.7
341.10196	44.8
342.10806	5.8
343.11761	3.6
344.08945	1.2
351.08301	0.7
351.12262	8.2
352.12842	3.4
353.10068	1.6
353.13852	7.7
354.14215	0.6
355.15378	1.2
357.13339	4.3
359.11215	3.0
368.12460	1.8
369.13318	1.2
383.14899	30.0
384.15082	1.3
401.15927	100.0
402.16367	6.2
897.23273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.5682
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05477	1.2
81.07048	4.9
85.02905	6.7
87.04444	0.5
91.05470	2.5
93.07031	2.7
95.08604	7.5
97.02893	4.0
99.08095	2.2
104.91759	0.4
105.07029	7.7
107.08597	5.0
109.02881	0.6
109.10162	1.3
110.59667	0.4
113.09639	0.7
115.03904	2.4
117.07018	0.7
119.08574	26.3
120.08857	0.7
121.10122	0.6
123.11697	1.1
127.03895	1.7
131.08498	0.5
133.04967	2.5
133.10126	32.6
135.11682	6.8
137.09630	0.5
141.32646	0.4
145.04924	1.8
147.11668	1.8
155.85587	0.4
163.06032	1.0
173.13297	0.7
175.14815	100.0
176.15135	2.7
193.15872	18.8
194.16200	0.6
211.16911	33.5
212.17230	1.3
241.07097	0.4
259.08194	1.1
271.77078	0.5
295.10175	1.3
343.20779	0.5
373.22284	2.2
405.45483	0.4
505.26434	17.0
506.26782	0.7
556.36218	0.5
752.74701	0.5
972.13971	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
103.14395	0.1
115.05440	0.1
139.05370	0.2
145.06485	0.2
152.06111	0.2
153.06973	0.2
158.61697	0.2
165.05536	0.2
165.06886	0.7
166.07761	0.2
167.08478	0.2
169.06390	0.5
171.08063	0.2
175.07518	0.1
178.07777	0.3
178.89680	0.1
179.08514	0.7
180.05518	0.1
180.19917	0.1
181.06454	0.8
181.09993	0.2
182.07208	0.3
183.08104	0.7
184.05080	0.2
188.57251	0.1
189.06956	0.2
190.07657	0.2
191.08356	0.3
192.05670	0.2
193.06447	0.5
193.09999	0.2
194.07191	0.5
195.08037	0.8
196.05045	0.2
196.08791	0.5
197.05917	0.8
197.09567	0.2
198.06689	0.5
199.07468	0.8
202.07788	0.2
205.06456	0.3
206.07167	0.4
207.08051	1.4
208.05356	0.2
208.08743	0.3
209.05968	0.7
209.09586	0.9
210.06752	1.3
211.07527	1.9
211.11049	0.4
212.04611	0.2
212.08176	0.4
213.05420	0.3
213.09045	0.6
214.05943	0.2
218.07281	0.3
219.08003	0.5
220.05136	0.2
220.08783	0.2
221.05931	0.6
221.09529	0.5
222.06770	0.8
222.10312	0.2
223.03806	0.2
223.07495	0.8
224.04698	0.2
224.08310	2.2
225.05518	0.8
225.09045	1.0
226.06268	1.2
226.09785	0.2
227.03487	0.2
227.06999	2.2
228.07590	0.2
232.08844	0.2
233.05864	0.4
233.09590	0.4
234.06693	0.4
235.07536	2.7
236.04674	0.2
236.08255	1.5
237.05457	0.9
237.09071	2.0
238.06197	1.0
238.09843	0.4
239.06995	2.4
239.10623	3.0
240.03972	0.3
240.07733	1.1
240.11044	0.2
241.04987	0.9
241.08603	2.2
242.05663	0.6
246.06746	0.2
247.07469	0.6
248.08282	0.3
249.09035	0.7
250.06200	0.6
250.09831	0.9
251.06987	1.1
251.10663	0.4
252.07808	3.3
253.04985	1.3
253.08542	1.6
254.05756	1.4
254.09322	0.8
255.06540	2.5
255.10048	0.4
256.07236	1.3
257.08099	1.0
260.08340	0.2
261.09024	0.7
263.07022	1.9
263.10315	0.2
264.07874	1.0
265.05264	0.2
265.08542	3.8
265.12125	0.9
266.05716	0.5
266.09265	1.8
267.06546	1.9
267.10110	8.4
268.07254	3.1
268.10495	0.7
269.04532	0.5
269.08002	3.4
269.11633	1.6
270.05206	1.1
270.08710	0.4
271.05945	0.4
271.09586	0.4
276.07761	0.3
277.08649	1.1
278.05634	0.5
278.09311	1.1
279.06812	1.1
279.09671	1.0
280.04138	0.2
280.07230	1.8
280.10754	0.4
281.04422	1.0
281.08017	1.5
281.11606	0.4
282.05139	0.5
282.08807	3.4
283.05942	2.0
283.09534	1.4
284.03564	0.3
284.06757	3.3
284.09869	0.2
285.07562	4.6
286.08124	0.3
289.08444	0.2
290.09164	0.2
291.06476	0.4
291.10107	0.9
292.07364	0.2
292.10959	0.4
293.08011	3.2
293.11655	1.6
294.05643	0.2
294.08810	2.2
294.12125	0.1
295.06036	1.8
295.09579	11.8
296.06726	2.0
296.10162	1.4
297.04114	0.4
297.07526	5.1
297.11166	7.1
297.14038	0.1
298.04666	0.8
298.08218	1.7
298.11456	0.3
299.05478	2.2
299.09082	8.1
300.06003	0.3
300.09467	0.5
304.07089	0.3
305.08041	1.2
306.08755	0.6
307.09573	0.7
308.07062	0.2
308.10373	0.7
309.07474	1.3
309.11148	1.0
310.08334	2.7
310.11664	0.2
311.05453	3.4
311.09091	1.8
311.12405	0.3
312.06158	1.1
312.09845	1.5
313.07062	3.9
313.10471	0.3
314.07706	1.2
315.08521	0.8
318.08783	0.3
319.09637	1.2
320.10339	0.5
321.07520	1.2
321.11169	1.1
322.08301	0.3
323.09061	0.4
323.12753	1.4
324.09879	2.5
325.07361	0.9
325.10657	18.7
326.07849	12.9
326.11298	1.8
327.04886	1.6
327.08551	9.0
327.12234	2.2
328.09085	0.6
329.10120	0.4
335.09094	0.6
336.09909	1.5
337.10568	0.8
338.11285	0.3
339.08594	0.3
339.12195	1.1
340.09357	1.9
341.10043	0.6
341.13840	0.7
342.07318	4.7
342.10812	0.2
343.07816	0.3
349.10483	0.2
350.11420	1.3
351.09070	0.2
351.12259	4.7
352.12677	0.4
354.10901	0.5
355.11728	16.3
356.12088	1.3
357.09656	10.8
358.10007	0.6
366.10919	0.9
368.12552	0.4
369.13293	5.3
370.13480	0.2
371.14856	0.2
381.13278	1.7
399.14365	30.3
400.14685	2.1
401.15424	0.2
421.12555	37.3
422.12918	2.4
462.15097	0.6
543.16211	100.0
544.16553	8.6
584.18573	0.3
752.71100	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.407
Annotation	Unknow
Peak:m/z	Relative Intensity
79.08104	0.5
94.89952	0.5
110.17957	0.5
197.06099	0.6
211.07704	0.6
225.05573	0.9
227.07002	0.6
229.08722	0.8
235.11223	0.7
241.04979	0.6
253.08543	0.9
254.09395	1.1
255.06479	2.6
255.10539	0.7
256.07309	1.7
257.08072	1.1
263.10666	1.0
264.11508	1.6
265.08563	0.9
265.12112	0.7
267.06451	1.0
267.10083	0.7
267.13812	1.0
268.07471	1.0
268.10873	1.4
269.08096	1.4
270.05197	0.9
270.08807	0.7
272.06808	1.4
275.10693	0.7
279.10187	1.9
279.13480	1.2
280.10861	1.1
281.08066	1.3
283.09689	1.5
284.06781	2.6
285.07608	3.5
285.10388	0.7
287.09192	0.8
291.10123	1.5
292.10999	1.0
293.11905	1.1
295.09970	1.0
295.13297	3.0
296.06821	0.8
297.07605	1.1
298.08426	1.2
299.09137	8.3
300.06219	2.2
300.09698	1.8
301.06961	1.0
306.12363	2.7
307.09619	2.0
307.13300	2.6
308.10294	0.7
308.13879	0.7
309.11194	1.6
309.14771	1.1
310.12137	0.7
310.15344	1.3
311.09116	1.9
312.09943	6.7
313.07339	0.7
313.10550	3.1
315.08566	6.3
316.09332	5.2
322.12018	2.7
323.12766	6.5
324.13306	0.6
325.10898	1.4
325.14304	0.9
326.11444	10.2
326.14890	0.6
327.08743	1.0
327.12332	2.1
328.09399	2.0
329.10172	2.6
330.10977	19.3
331.11520	1.3
337.10516	1.0
337.14291	12.2
338.11407	0.8
338.15021	5.4
339.12210	2.2
339.15808	1.0
341.17487	1.8
342.10959	1.9
343.11761	2.6
344.12009	0.6
353.13849	11.1
354.14499	1.7
356.12326	0.9
357.13394	4.0
367.19003	1.1
368.16159	23.0
369.12985	0.7
369.16907	13.5
370.17471	0.9
384.15671	3.4
399.18015	100.0
400.18402	8.2
421.16199	22.0
422.16629	1.3
543.19928	4.2
561.61786	0.7
726.25073	0.6
777.67346	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1064.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03474	1.1
83.04987	1.0
91.05486	1.3
95.04974	1.2
111.00784	2.4
111.04455	2.1
119.04987	3.3
123.03644	1.0
123.04429	48.8
127.03921	27.7
139.03902	100.0
140.04271	3.9
143.04929	1.8
147.04410	16.5
151.03900	10.2
152.04442	1.0
161.05978	4.8
163.03944	3.6
165.05479	15.7
169.05008	1.3
175.03928	2.1
177.05531	1.3
179.03398	8.8
179.07030	1.9
181.04970	2.2
189.05550	2.0
191.03410	4.0
193.05014	1.4
199.04041	1.0
203.03348	6.1
205.04880	1.3
207.06599	3.9
213.05533	1.6
217.04935	1.8
229.05032	2.2
233.04445	2.7
241.04990	1.1
245.04333	5.2
257.04440	5.2
263.05563	3.7
269.04636	1.6
271.06003	1.6
273.07666	2.6
275.05502	8.1
287.05524	16.0
291.08624	96.2
292.08994	5.3
299.05573	5.1
305.06555	9.6
317.06506	5.3
344.66968	1.1
362.35025	1.1
409.09119	2.6
425.08557	5.6
427.10287	2.2
443.09598	10.2
453.14105	3.3
595.14404	9.3
596.14313	1.0
603.21954	1.1
790.13971	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
73.96402	0.5
75.88834	0.5
84.26123	0.5
85.42492	0.6
98.23287	0.7
119.58924	0.6
124.98482	0.5
157.86476	0.5
195.07977	0.5
197.06007	0.6
209.05836	0.5
209.09492	0.5
211.07535	1.2
219.07777	0.6
225.09116	0.6
227.07021	1.7
233.09528	1.0
233.78514	0.6
235.07513	2.0
237.05342	1.3
237.09113	1.8
239.06993	0.9
239.10722	0.6
240.07788	0.8
241.08572	1.4
247.07730	0.6
249.08868	0.6
250.06212	0.6
250.09737	0.7
251.07010	1.1
251.10512	0.9
252.07730	1.1
253.08517	1.0
254.05586	0.5
254.09496	0.7
255.06517	4.6
256.07141	0.7
261.09103	1.0
263.06995	1.7
263.10608	0.6
264.07742	0.5
265.08432	2.6
266.09393	1.0
267.06674	0.9
267.10089	2.8
268.07263	1.0
269.07990	1.9
269.11169	0.5
271.05966	0.8
276.08057	0.6
277.08606	1.6
278.09280	3.0
279.06290	1.0
279.10132	0.8
280.07220	2.0
281.07935	2.3
282.08878	1.2
283.05978	3.9
283.09442	1.1
284.06772	0.9
285.07553	2.0
291.10275	0.9
292.11023	0.9
293.08023	1.4
293.11652	4.0
295.06357	0.8
295.09570	3.6
296.06760	1.2
296.10104	1.1
297.07513	2.0
297.11099	2.3
298.08331	16.1
299.08884	3.5
301.07144	0.6
305.04303	0.9
305.08047	1.5
306.04892	0.6
306.08667	1.7
307.09576	2.1
308.06577	1.4
308.09946	0.8
309.07492	1.7
310.08447	0.7
311.05524	0.9
311.08975	1.1
312.06497	0.7
312.09857	2.1
313.07092	1.4
313.10623	11.1
314.07767	1.0
315.08667	1.3
319.09570	0.8
320.06531	1.4
320.10269	1.1
321.07324	6.1
321.11221	7.6
322.08200	1.1
322.11774	1.2
323.05179	2.3
323.09024	1.5
323.12469	0.9
325.10580	2.7
325.14136	0.7
326.07806	5.7
326.11212	1.0
327.08536	2.2
327.12204	2.9
328.09259	1.1
329.10178	1.1
336.06210	1.1
336.09897	2.8
337.06824	0.9
337.10361	2.7
338.07562	4.0
338.11459	2.0
339.12149	1.0
341.10172	21.4
342.10815	2.7
343.11731	1.0
351.08328	10.7
351.12265	4.5
352.13107	1.9
353.10056	1.2
353.13840	3.3
355.15552	0.7
357.13208	2.3
359.11316	1.0
368.12418	0.7
369.13147	1.2
377.09772	1.5
383.14948	7.9
391.11551	0.9
392.12186	1.8
393.13364	0.9
401.15897	15.2
402.16418	1.1
408.11642	1.7
423.14117	100.0
424.14386	8.3
464.16754	0.9
545.17792	88.5
546.18079	10.3
697.00006	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1068.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
85.44492	1.4
104.06692	1.5
105.03212	1.5
108.25530	1.3
141.06955	1.5
182.62486	1.4
239.10641	2.0
241.08577	2.0
254.09344	1.8
255.10109	2.0
265.08603	1.7
267.06534	1.4
267.10086	2.9
268.07367	1.5
269.08145	2.4
279.10199	1.6
280.07388	1.4
281.11789	1.7
282.08994	2.8
282.12402	2.2
283.06198	1.3
283.09573	4.0
285.07602	2.9
295.09677	6.6
297.11014	3.3
298.08441	2.3
299.09027	8.7
300.09891	2.3
307.09598	1.5
309.11093	4.5
310.11914	8.6
311.09256	2.9
311.12674	3.1
312.09848	5.1
313.10651	3.6
313.14133	2.8
315.08682	2.6
321.11169	3.6
325.10648	9.8
326.11365	8.0
327.08563	4.8
327.12082	2.0
329.10159	3.5
336.09549	1.6
337.10498	1.5
339.12085	1.7
340.13034	21.0
341.10117	8.1
341.13782	10.8
342.10953	13.0
343.11755	4.0
351.12186	4.8
356.12473	16.6
358.10385	4.5
366.14612	4.9
367.15414	2.2
371.14886	15.1
373.12833	8.8
383.14810	2.6
384.15759	3.4
397.16357	1.9
415.17502	100.0
416.17972	7.0
553.18085	5.1
554.18677	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02372	1.1
53.03948	6.8
54.04284	0.3
55.01865	0.5
56.67050	0.2
65.03943	0.3
67.05473	0.2
69.51363	0.7
69.51778	0.5
77.03937	2.2
78.04240	0.2
79.05492	100.0
80.05824	2.9
81.03416	0.9
91.05499	1.5
95.04968	7.6
96.05309	0.4
98.22547	0.2
105.04514	3.2
105.07055	0.4
107.04954	13.5
107.08549	0.5
107.22666	0.2
108.05346	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.4
53.03947	10.9
55.01875	2.3
65.03954	0.4
67.01837	0.3
69.37303	1.2
69.37708	0.5
77.03928	3.1
79.05492	13.0
81.03413	1.2
82.97367	0.3
90.86767	0.3
91.05486	3.1
93.49699	0.3
95.04965	10.5
105.04504	5.2
105.06983	0.8
107.04951	100.0
107.08568	0.8
108.05282	3.9
109.06535	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01591	0.5
51.02383	1.2
53.03946	9.7
53.16920	0.2
54.04282	0.4
55.01875	2.1
55.41970	0.2
58.92485	0.2
59.74629	0.2
64.05556	0.2
65.03940	4.7
66.45219	0.2
67.05499	1.1
70.68050	0.2
70.68361	0.4
73.33430	0.2
73.80179	0.3
77.03923	2.6
79.01836	0.2
79.05492	23.3
80.05019	0.6
80.05822	1.0
80.76203	0.2
81.03413	1.4
91.05478	32.0
92.05770	1.0
92.06283	0.9
95.04966	12.0
96.05313	0.5
103.05436	0.2
105.04515	5.6
105.07030	9.0
106.06554	0.3
106.07311	0.4
107.04951	100.0
107.08584	8.5
108.04489	0.9
108.05290	4.2
108.08108	1.5
108.08939	0.7
109.06518	3.2
119.06071	2.4
124.05242	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02369	0.5
53.03945	3.3
55.05513	0.9
65.03941	17.0
66.04280	0.4
67.05505	7.5
68.05848	0.4
71.30856	0.4
75.84743	0.3
77.03905	0.8
79.05492	58.0
80.05032	1.9
80.05814	1.8
81.03396	0.4
91.05480	100.0
92.05800	2.9
92.06277	3.9
93.05783	1.3
95.04971	4.0
96.04509	0.7
103.05454	1.1
105.04518	1.8
105.07030	25.1
106.04178	0.4
106.07351	0.7
107.04971	2.6
107.06123	0.4
107.08593	24.6
108.04490	1.4
108.08120	4.5
108.08922	1.0
108.96799	0.3
109.06529	8.3
119.06065	6.4
124.05222	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.2
53.03945	0.7
55.01864	0.7
56.28944	0.2
65.03940	14.8
66.04286	0.3
67.05504	2.4
69.71764	0.9
77.03916	0.3
77.75688	0.2
79.05494	10.6
80.05800	0.3
87.01826	0.2
89.50076	0.2
91.05479	100.0
92.05800	3.3
92.06275	2.3
95.04939	1.1
99.41582	0.2
103.05439	0.7
105.07030	29.6
106.04153	0.9
106.07384	1.3
107.04964	2.0
107.08591	28.2
108.08919	1.3
109.06516	10.6
110.06806	0.4
119.05203	0.5
119.06062	8.9
124.05199	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02380	0.2
53.03945	0.7
55.01864	0.7
56.28944	0.2
65.03940	14.8
66.04286	0.3
67.05504	2.4
69.71764	0.9
77.03916	0.3
77.75688	0.2
79.05494	10.6
80.05800	0.3
87.01826	0.2
89.50076	0.2
91.05479	100.0
92.05800	3.3
92.06275	2.3
95.04939	1.1
99.41582	0.2
103.05439	0.7
105.07030	29.6
106.04153	0.9
106.07384	1.3
107.04964	2.0
107.08591	28.2
108.08919	1.3
109.06516	10.6
110.06806	0.4
119.05203	0.5
119.06062	8.9
124.05199	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.01578	0.2
51.02374	0.4
52.15126	0.2
53.03949	1.1
53.15562	0.2
55.01878	0.5
65.03942	15.1
66.04269	0.4
67.05508	2.4
69.18082	1.0
69.18484	0.5
77.03951	0.3
78.04713	0.2
79.05497	11.7
80.05800	0.2
91.05483	100.0
92.05807	3.0
92.06282	2.3
95.04977	1.5
103.05481	0.7
105.07035	28.2
106.04177	1.0
106.07372	1.5
107.04967	2.1
107.08598	28.5
108.08951	1.4
109.06522	10.9
110.06841	0.3
119.06065	8.9
120.06458	0.2
124.05254	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01873	0.6
60.92615	0.2
63.02382	0.3
65.03941	14.6
66.04279	0.4
67.05506	2.4
68.85535	0.2
70.25956	0.5
70.26358	0.5
77.03936	0.6
78.04763	0.2
79.05494	12.4
80.05004	0.4
80.05834	0.4
91.05481	100.0
92.05805	3.5
92.06277	2.5
95.04986	1.3
101.86102	0.3
103.05458	0.7
105.04539	0.5
105.07030	27.5
106.04176	0.8
106.07371	1.3
107.04956	2.3
107.08591	28.1
108.04501	0.3
108.08105	0.7
108.08937	1.3
109.06520	10.5
110.06828	0.4
119.06065	9.0
119.57933	0.2
120.06425	0.3
124.05224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.4
52.90636	0.3
53.03947	1.2
55.01875	0.7
65.03941	15.1
67.05499	1.8
68.68022	0.3
69.52016	0.8
69.52431	0.8
79.05493	11.1
80.05021	0.9
87.99215	0.3
91.05481	100.0
92.05777	3.7
92.06317	2.1
93.05785	0.4
95.04958	1.4
98.23406	0.5
103.05478	0.5
105.07032	28.9
106.04172	1.1
106.07372	1.3
107.04961	2.5
107.08595	29.7
108.04495	0.6
108.08109	1.1
108.08929	1.4
109.06517	11.9
119.06068	9.7
120.06400	0.5
124.05193	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02377	0.7
53.03946	3.8
53.45936	0.2
53.52679	0.2
55.01861	1.2
63.02362	0.2
65.03938	15.0
66.04278	0.4
67.05497	2.4
69.24419	0.9
69.24839	0.6
77.03920	0.9
79.05489	16.9
80.05005	1.1
80.05793	0.3
81.03416	0.5
91.05477	100.0
92.05798	3.4
92.06273	2.4
93.05750	0.2
95.04353	0.3
95.04961	5.4
96.04501	0.4
103.05470	0.9
105.04530	1.9
105.07026	29.9
106.04160	0.6
106.06601	0.4
106.07364	1.3
107.04951	27.9
107.08588	28.8
108.04475	1.2
108.05283	0.9
108.08108	1.0
108.08925	1.5
109.06516	11.3
110.06866	0.4
119.06062	8.7
120.06363	0.2
124.05206	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.85975	0.3
53.03946	2.2
55.01862	0.7
65.03941	13.9
66.04284	0.3
67.05518	2.4
69.01912	2.7
69.02309	0.6
79.05497	13.9
80.05051	0.6
80.05827	0.6
81.03407	0.4
91.05484	100.0
92.05777	3.9
92.06310	2.4
95.04979	2.9
98.23359	0.7
103.05466	0.5
105.04517	0.8
105.07035	28.5
106.04179	0.9
106.07375	1.2
106.62168	0.3
107.04957	9.5
107.08597	26.5
108.08132	0.8
108.08921	1.2
109.05769	0.6
109.06522	11.0
110.06851	0.4
119.06072	8.2
124.05229	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
86.12627	1.0
98.23151	1.9
144.17790	0.9
389.17523	3.8
390.18445	1.3
402.18454	1.4
403.19293	5.0
404.19986	2.1
405.20612	4.4
416.15863	1.1
417.16235	6.2
417.21432	2.2
418.17181	2.1
418.22049	1.5
419.22433	6.3
430.17493	1.4
431.18402	10.2
432.19141	4.8
433.20093	4.6
445.20087	5.9
446.21106	9.3
447.21667	8.9
459.21985	2.2
461.19684	1.7
474.20334	4.3
475.21225	3.2
477.22647	1.4
487.21585	1.8
491.20517	1.8
519.24103	21.9
520.23737	2.6
547.23438	20.3
548.23651	1.9
561.24841	1.1
579.26056	13.5
607.25482	100.0
608.25787	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1074.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
77.92691	2.0
79.05496	7.4
81.07055	35.2
83.04967	2.9
91.05450	5.6
95.08617	4.1
109.06537	14.5
111.04472	2.4
117.07050	3.3
119.08541	5.3
123.04446	3.4
123.08095	3.4
123.84534	2.2
128.06268	2.4
129.73892	2.7
131.08591	3.0
133.10139	4.2
135.08070	4.1
137.04971	3.9
137.05977	56.2
141.06932	2.9
143.08537	5.0
145.06535	3.1
155.08530	5.0
157.10117	5.5
159.08061	3.3
161.09509	3.0
162.71124	2.2
163.07541	2.6
167.08559	2.4
169.10057	4.4
171.08057	3.4
187.11163	6.4
189.09100	3.4
195.11745	4.7
197.01280	2.9
197.09651	3.2
199.11240	2.6
207.11670	3.4
209.13274	3.6
211.14847	2.5
213.12787	3.0
215.10718	3.3
223.02428	2.2
223.11128	3.6
237.12799	4.0
241.12216	3.7
246.03986	2.8
249.12756	3.1
251.10541	3.0
255.13884	3.2
270.95132	2.3
286.69568	2.5
316.40378	2.4
415.26468	3.4
423.22623	2.6
433.27133	3.2
439.21075	10.4
441.24203	8.3
449.19724	5.1
459.25208	17.5
460.25754	4.0
465.23080	2.7
467.20831	18.0
477.26242	16.0
481.21890	4.2
483.23486	4.8
485.21655	100.0
486.22067	5.2
491.20654	3.3
495.27359	5.3
509.21777	12.2
527.22827	22.4
530.20526	2.7
545.24023	26.1
562.26514	37.9
563.27008	3.5
967.55164	2.6
1074.40076	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1074.7232
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07072	3.4
83.08618	5.8
85.53473	3.3
93.07079	3.7
95.08611	7.2
96.67713	2.9
97.10163	2.9
109.10204	3.0
151.07506	7.5
162.78317	3.8
165.05515	4.4
165.09085	3.4
167.07036	35.0
191.07092	3.6
203.10632	3.2
205.08554	4.5
207.10107	5.8
218.04373	3.1
243.86992	3.2
245.90199	3.0
267.06647	3.6
281.11841	3.9
293.11664	3.6
295.13315	6.0
309.11392	5.5
314.11713	5.0
323.12894	7.8
325.10840	3.5
325.14340	3.9
340.13129	7.6
341.13773	17.9
355.15344	28.3
356.16147	49.1
370.67374	3.1
387.18033	100.0
388.17984	4.7
429.33606	68.6
447.34634	11.5
522.64203	3.6
760.00854	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1078.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
77.40574	2.6
79.05477	5.2
81.07061	17.4
84.92261	3.5
85.36350	3.1
103.40977	3.2
105.07018	4.1
109.06503	9.9
111.08054	7.1
119.08581	4.2
123.08055	3.8
135.08063	4.1
137.05957	23.9
139.07532	100.0
141.07022	4.5
143.08568	4.0
155.08592	3.7
157.10114	3.6
159.08018	8.9
173.09607	3.6
187.07532	6.8
187.11157	5.1
197.09631	4.1
211.11235	4.0
231.10072	5.5
235.11179	3.4
237.96786	3.6
251.10866	3.6
253.12247	4.3
261.12680	9.1
263.10657	3.5
279.13770	13.6
279.98926	3.3
281.11832	5.3
281.15222	5.4
292.49991	3.4
297.14893	8.0
299.12955	3.6
307.13168	10.5
325.14258	20.5
367.15326	4.0
373.17932	9.5
377.17191	4.3
385.16525	23.9
391.18997	14.3
395.18683	4.4
401.17273	6.3
403.17545	57.4
404.17850	3.4
419.18512	22.1
433.20059	5.3
437.19598	64.3
438.19879	5.7
451.20987	15.3
455.20630	36.5
461.19330	6.7
469.22095	4.3
473.21368	16.4
479.20612	30.2
493.22330	4.1
497.21716	44.7
515.22687	26.3
529.24219	10.4
533.23810	26.7
550.26324	8.0
551.22467	84.7
702.67749	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
98.23395	2.1
208.42641	0.6
210.18980	0.5
229.78767	1.1
265.08640	0.8
267.10336	1.0
280.07422	0.6
282.08978	0.7
295.09674	2.0
297.11313	1.0
299.09222	1.2
325.10706	2.0
326.07803	1.5
327.08615	1.1
339.12491	0.6
351.12241	0.9
355.11810	1.6
357.09735	1.0
369.13525	0.9
399.14404	2.2
437.09955	2.9
549.46393	0.6
559.13611	100.0
560.13837	9.4
705.66852	0.7
951.13025	0.7
1109.65063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
86.27393	0.5
105.07050	0.5
159.63857	0.5
226.06102	0.5
255.06656	1.0
267.10010	0.7
279.09970	0.6
283.06046	1.0
293.11880	0.7
298.08423	2.9
299.09116	0.6
313.10678	1.6
321.11166	1.4
326.07922	0.9
328.09518	0.6
336.09711	0.5
337.11060	0.6
341.10132	3.3
342.10709	0.5
353.13873	0.6
359.10944	0.6
383.14975	1.6
401.16080	1.7
439.11520	21.1
440.11673	2.3
454.33572	0.5
471.55875	0.6
561.15204	100.0
562.15503	11.4
630.65723	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.565
Annotation	Unknow
Peak:m/z	Relative Intensity
90.60070	0.1
113.64654	0.1
133.02585	0.4
149.69119	0.1
162.06465	0.2
192.86560	0.1
229.90759	0.2
351.19247	0.3
355.18826	0.3
365.17203	0.1
369.20367	1.0
370.20801	0.2
383.18295	2.6
384.18646	0.3
397.20090	0.2
399.19162	0.1
412.64792	0.1
473.26785	1.0
491.27655	10.4
492.28156	0.9
493.25616	0.5
509.28723	16.9
510.29105	1.6
535.26947	0.3
553.27673	100.0
554.28046	10.8
1083.45581	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
76.12177	0.4
83.47544	0.4
95.08620	0.5
96.23343	0.6
108.35590	0.4
109.06546	0.5
111.08080	0.7
121.20303	0.5
121.94521	0.4
123.08105	0.5
139.07547	5.0
140.07849	0.8
171.08063	0.6
179.06877	0.7
189.08897	0.9
236.67085	0.4
265.12204	0.4
279.14264	0.5
316.04272	0.5
325.14404	0.7
355.15176	0.8
373.16190	2.4
383.14679	2.5
399.14365	1.2
400.14685	0.7
401.15692	19.9
402.16110	1.8
403.18594	1.0
421.20120	1.9
422.20276	1.8
437.19696	1.0
438.19772	1.0
439.21216	2.1
440.21570	1.1
455.20892	0.5
457.22052	0.6
464.21771	0.5
476.23813	0.5
479.20819	0.9
480.21210	0.5
481.22006	2.2
482.22525	2.0
497.21725	0.9
498.22287	0.6
499.23090	2.0
500.23679	1.2
515.23517	0.6
517.24371	1.1
518.24445	0.9
533.21460	2.0
534.22760	0.6
535.25116	0.6
536.25751	1.0
551.22510	41.6
552.22766	5.8
553.23676	2.6
555.22229	3.1
556.22180	2.8
557.23560	100.0
558.23969	9.9
575.24438	0.6
707.07214	0.5
846.89661	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0289
Annotation	p-Benzoquinone
Peak:m/z	Relative Intensity
51.02383	0.8
53.03951	11.8
54.04285	0.3
54.78927	0.2
55.01873	1.1
65.03942	0.5
67.04237	0.2
67.05508	2.5
67.26669	0.2
68.05035	0.3
70.03210	0.6
74.73557	0.2
79.05493	1.3
79.63020	0.2
81.03422	100.0
81.07056	1.6
82.03744	3.0
82.06578	0.8
83.06112	0.2
91.05498	0.5
93.21848	0.2
94.04169	0.4
99.04451	0.6
109.02886	23.8
109.06499	0.9
109.07653	1.1
109.08348	0.3
109.10159	0.9
110.03208	1.1
110.06058	2.2
110.07161	0.3
112.28745	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.4
51.61802	0.3
53.00315	0.4
53.03945	4.6
55.01873	1.4
55.05511	11.6
65.03939	6.7
66.04290	0.3
66.04720	0.5
67.05504	100.0
68.05042	0.4
68.05835	3.3
69.07069	6.4
79.05491	16.0
80.05839	0.8
80.06275	1.4
81.02981	0.5
81.03422	5.3
81.07056	38.3
82.03774	0.4
82.06591	1.0
82.07394	1.1
91.04946	0.7
91.05479	5.3
93.06139	0.4
94.04185	6.2
94.06151	0.5
94.07820	1.7
95.04973	0.4
104.06512	0.3
107.04966	2.5
107.08611	3.3
108.08882	0.4
109.02857	1.9
109.06522	15.3
109.07662	1.5
109.10153	40.4
110.06062	2.1
110.06734	0.5
110.10497	2.2
111.04390	0.5
111.09359	0.4
119.06120	0.4
129.20988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03944	1.9
55.05511	10.3
56.05849	0.4
60.36243	0.4
65.03935	5.0
66.49136	0.3
66.95948	0.4
67.05505	100.0
67.42957	0.4
68.05846	3.2
69.07070	7.0
69.15627	2.2
69.16028	1.1
74.39797	0.4
74.67933	0.5
76.48862	0.4
79.05490	11.4
79.31654	0.4
80.05855	0.4
80.06276	1.3
81.03403	0.4
81.07058	31.9
82.06615	0.4
82.07382	1.2
91.05479	2.1
94.04217	0.5
94.07825	1.1
105.07011	0.4
105.66965	0.4
107.04931	0.5
107.08603	4.0
109.06527	4.0
109.07648	1.2
109.10155	39.4
110.06027	2.6
110.10494	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03943	2.6
55.01876	0.7
55.05511	11.1
56.05871	0.3
61.89775	0.3
65.03941	9.8
66.04721	0.7
67.05502	100.0
68.05837	3.4
69.00629	3.3
69.07064	7.6
69.79913	0.3
79.05488	16.1
80.05846	0.7
80.06275	1.1
81.03426	2.5
81.07053	44.2
82.06574	0.4
82.07388	1.4
91.05478	14.9
92.05796	0.5
94.04184	20.9
94.07838	2.2
95.04478	0.6
107.04955	8.5
107.08588	4.2
109.02892	1.1
109.06516	33.9
109.07693	1.1
109.10150	47.5
110.03635	0.4
110.06038	0.9
110.06866	1.3
110.10493	2.8
111.04427	1.2
119.06080	1.7
121.03979	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.0
53.87325	0.3
55.01875	1.3
55.05510	11.1
65.03934	6.3
65.49947	0.4
66.04719	0.6
67.05504	100.0
68.05846	3.6
69.07065	6.2
70.07383	0.5
70.59834	1.0
79.05490	18.7
80.05844	0.6
80.06267	1.4
81.03426	2.9
81.07054	36.8
82.07364	1.0
89.76337	0.3
91.05468	4.4
94.04188	2.3
94.07832	1.3
95.04982	0.5
105.07027	0.6
107.04964	0.7
107.08585	3.8
109.02867	1.5
109.06519	21.9
109.10151	39.8
110.06843	0.7
110.10481	2.2
119.06078	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03955	1.9
55.01873	0.4
55.05513	10.7
56.67051	0.2
62.05046	0.2
62.96896	0.3
65.03942	4.8
66.04259	0.3
67.05505	100.0
68.05833	2.6
69.07072	6.9
71.29871	0.4
72.64058	0.2
79.05491	10.7
80.05841	0.5
80.06279	1.3
81.03425	1.3
81.07058	31.7
82.07397	0.9
91.05492	1.8
94.04190	1.0
94.07811	1.5
102.88793	0.3
105.07038	0.8
106.23470	0.3
107.08594	3.4
108.08871	0.3
109.02890	0.5
109.06517	3.4
109.10155	34.4
110.06032	0.4
110.10498	2.1
115.31172	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
54.10557	0.3
55.01859	0.6
55.05512	11.9
57.21328	0.3
65.03943	4.7
65.49889	0.3
67.05505	100.0
68.05833	2.7
69.07072	6.7
69.07386	0.2
71.02293	0.3
71.02644	0.3
79.05492	11.3
80.05838	0.5
80.06275	1.2
81.03413	2.2
81.07056	31.8
82.07386	0.9
91.05490	1.8
94.04185	1.3
94.07828	1.7
105.07030	0.7
107.04926	0.4
107.08591	3.5
109.02901	1.2
109.06510	4.2
109.10157	40.5
110.10485	2.2
119.06030	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03946	2.6
55.01872	0.9
55.05513	10.8
56.05832	0.4
65.03938	6.2
66.02112	0.4
67.05504	100.0
67.83878	0.4
68.05832	3.6
69.07069	7.1
69.08542	2.8
79.05494	12.8
80.05862	0.4
80.06269	1.8
81.03427	3.5
81.07056	34.3
82.07391	1.5
82.72556	0.4
91.05484	2.3
94.04190	1.5
94.07844	2.0
107.04974	0.6
107.08593	3.7
109.02882	1.3
109.06518	8.4
109.10155	36.6
110.06072	0.6
110.10497	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03944	2.3
53.57255	0.3
55.01871	0.6
55.05510	9.5
55.05764	0.8
56.05835	0.4
63.59769	0.4
65.03942	4.9
67.05504	100.0
67.95463	0.3
68.05836	2.9
69.07066	6.8
70.67666	1.0
79.05492	13.2
80.06268	1.1
81.03410	1.7
81.07056	30.9
82.07391	1.2
83.21378	0.4
91.05476	2.8
94.04198	2.1
94.07832	1.1
98.22710	0.4
105.07037	0.4
107.04973	0.7
107.08577	3.8
109.02868	0.9
109.06516	8.8
109.07657	0.8
109.10155	36.3
110.06046	1.3
110.06812	0.8
110.10511	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01870	0.4
55.05515	11.7
57.48843	0.3
65.03944	4.5
67.05505	100.0
68.05838	3.6
69.01903	3.3
69.07068	6.6
69.07415	0.6
70.07414	0.6
79.05495	10.4
80.05849	0.6
80.06282	1.4
81.03415	1.9
81.07057	31.9
82.06574	0.6
82.07390	1.7
91.05493	1.3
94.04200	1.0
94.07821	1.0
105.07046	0.7
107.08597	3.9
109.02877	0.6
109.06532	2.1
109.07676	1.8
109.10156	40.6
110.06059	2.0
110.06664	0.3
110.10498	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.3
54.85063	0.5
55.05511	12.0
56.05853	0.5
65.03944	5.2
67.05504	100.0
68.05833	1.7
69.07069	6.2
69.33302	1.8
69.33721	2.0
79.05491	11.1
80.06287	1.8
80.26182	0.5
81.03429	0.8
81.07056	34.5
82.06581	1.9
82.07402	1.0
91.05486	1.7
92.05028	0.7
94.04196	1.5
94.07860	0.9
97.33530	0.6
105.07081	0.7
107.08604	4.1
109.06524	2.9
109.07655	6.1
109.08472	1.5
109.10156	37.5
110.06039	9.0
110.10493	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03950	1.4
55.05509	11.1
56.05843	0.7
64.83444	0.4
65.03935	4.9
66.04271	0.6
67.05502	100.0
68.05843	3.2
69.07066	8.1
71.21098	0.8
71.51675	0.4
79.05491	10.6
80.06271	1.7
81.07053	31.7
82.06579	0.8
82.07369	0.9
91.05469	1.4
94.04189	0.8
94.07827	1.8
107.08603	4.0
109.06512	3.0
109.07677	2.8
109.10149	39.3
110.06044	3.9
110.10458	2.5
118.36611	0.5
122.99508	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.91602	0.6
53.03948	1.8
54.56139	0.5
55.05515	10.3
56.95198	0.6
65.03947	5.8
67.05508	100.0
68.05032	0.6
68.05840	4.1
69.07073	7.2
69.12137	3.0
69.12559	2.1
79.05497	12.2
80.06300	1.3
81.07063	32.8
82.06583	1.8
82.07423	0.6
91.05489	1.6
94.04198	2.0
94.07838	1.2
98.23394	1.4
107.04977	0.6
107.08578	3.6
109.06530	3.7
109.07661	5.0
109.08499	1.7
109.10160	36.9
110.06055	7.6
110.10515	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1090.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
77.46708	0.5
82.68570	0.5
97.65198	0.5
98.22664	1.1
105.03374	1.2
105.07101	0.5
130.21278	0.5
187.07686	0.6
195.08058	0.6
199.07196	0.5
209.09607	1.0
211.07521	0.7
223.07550	0.7
224.08249	0.9
226.06328	0.7
227.06967	0.7
227.27567	0.4
227.63591	0.5
227.68813	0.5
235.07664	0.7
237.05452	0.5
237.09090	0.9
238.06348	0.5
239.06961	0.9
241.08665	1.8
242.09340	0.6
251.07031	0.9
251.10649	0.6
252.07867	0.8
253.08499	1.2
254.09470	0.8
255.06561	0.9
255.10310	1.1
264.07620	0.6
265.08533	1.2
266.09396	0.7
267.06512	0.7
267.10220	3.0
268.07324	0.9
268.11127	0.9
269.08133	2.6
269.11673	0.9
270.08917	1.2
271.09726	0.9
273.11206	0.5
277.08566	0.6
278.09448	1.4
279.06561	0.5
279.10229	1.5
280.07291	1.4
280.10849	0.6
281.08109	1.4
281.11563	1.1
282.08994	1.6
282.12506	1.3
283.06125	0.8
283.09668	2.4
283.13092	1.1
284.06821	2.7
284.10181	0.9
285.07550	2.3
285.10831	0.7
293.08380	1.0
293.11801	0.9
294.08823	1.1
295.09628	5.3
296.06778	1.3
296.10376	1.1
297.07657	3.2
297.11249	2.0
298.08273	1.7
298.11661	1.0
299.05777	0.8
299.09143	5.9
300.06479	0.7
300.09860	2.8
301.10474	1.0
307.09720	0.6
308.10489	0.6
309.07529	1.5
309.11292	2.7
310.08612	0.7
310.11984	7.4
311.09171	2.8
311.12811	2.3
312.06378	1.1
312.09946	4.4
312.13150	0.7
313.07083	1.4
313.10675	3.3
313.14304	1.6
314.07849	0.8
315.08664	1.2
315.12317	1.5
316.09250	0.7
319.09607	0.6
320.10358	1.0
321.11234	2.6
324.06091	0.5
325.10660	7.7
326.07843	1.4
326.11395	6.9
327.08658	5.0
327.12088	0.7
328.09467	1.6
329.10254	1.8
335.12823	0.6
336.09851	0.8
337.10895	0.7
339.12402	1.2
340.08887	0.9
340.13049	18.4
341.10159	5.8
341.13840	8.6
342.10941	12.0
342.14661	1.0
343.07916	1.5
343.11731	3.3
348.80301	0.6
351.12326	5.4
352.12781	1.0
356.12527	11.6
356.16895	0.9
357.13272	2.0
358.10617	3.1
366.14606	5.5
367.15219	1.0
369.13190	0.6
371.14890	14.7
372.15295	0.7
373.12817	8.4
383.14899	4.3
384.15546	3.9
397.16452	2.3
400.15378	0.7
415.17505	100.0
416.17795	8.0
479.14670	0.6
516.53754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1092.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04987	59.0
84.84579	3.9
99.04440	20.7
114.61521	4.9
121.88876	3.7
127.03910	11.8
132.05751	8.4
141.39185	4.1
147.08073	4.3
188.66106	5.2
198.16693	3.5
203.69455	4.0
207.10103	19.5
251.03391	10.4
252.04216	5.2
261.16428	4.3
263.07031	5.5
264.07892	5.3
265.08560	7.7
266.05725	8.3
267.07022	4.6
267.10309	4.6
279.06512	10.3
279.10614	4.5
280.07187	6.1
281.08099	6.3
282.04990	4.7
291.06686	4.3
293.04599	8.2
293.08075	7.2
294.05292	6.7
294.08783	4.4
295.06116	6.4
295.09543	9.6
297.07578	65.4
305.08011	5.0
307.06030	5.6
308.06906	7.9
311.05392	12.3
322.08194	7.1
323.09103	61.0
324.09946	11.9
325.10669	7.9
326.07968	17.6
337.10651	8.8
338.11380	4.9
340.09351	7.8
341.09747	5.3
341.14923	4.1
348.09915	5.6
353.10172	24.3
355.11850	39.8
357.09946	8.0
365.10172	11.1
366.10529	4.9
367.11777	14.4
369.13379	26.9
379.11792	15.5
397.12854	100.0
398.13129	6.9
443.25870	9.2
455.16702	13.8
461.26712	12.5
497.18170	6.3
841.08435	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
98.22594	0.5
130.74716	0.2
153.06929	0.2
181.06384	0.3
183.08055	0.3
195.08031	0.3
197.06020	0.4
198.06683	0.4
199.07443	0.4
207.07980	0.3
208.08810	0.2
209.09630	0.3
210.06677	0.6
211.07474	1.0
212.08118	0.4
223.07483	0.8
224.08307	0.7
225.09044	0.7
226.06264	0.4
227.06960	1.0
227.10452	0.4
228.07590	0.4
233.09607	0.4
235.07530	1.0
236.08344	0.5
237.05367	0.4
237.09116	0.9
238.06119	0.4
238.09790	0.6
239.06943	1.0
239.10573	1.3
240.07739	0.8
241.08600	1.6
242.09430	1.1
243.06403	0.4
247.07652	0.4
249.09091	0.9
250.09863	0.4
251.06938	0.9
251.10602	0.7
252.07668	0.8
252.11282	0.3
253.08485	1.2
253.12213	0.4
254.05688	0.8
254.09241	0.9
255.06569	1.2
255.10149	1.4
256.07220	0.8
256.10831	0.3
257.08005	1.0
262.09900	0.5
263.06961	0.6
264.07797	0.7
265.05713	0.3
265.08569	1.7
265.12131	0.4
266.05975	0.2
266.09369	0.9
267.06491	1.1
267.10114	3.9
268.07254	1.9
268.10828	0.8
269.04962	0.3
269.08023	3.0
269.11545	0.7
270.08673	1.0
271.06015	0.9
271.09592	0.9
273.11118	0.4
277.08548	0.8
278.09329	1.2
279.06699	0.5
279.10129	1.7
280.07220	1.3
280.10873	1.1
281.08026	1.9
281.11612	1.0
282.05566	0.4
282.09207	1.8
282.12411	1.7
283.05957	1.1
283.09576	3.3
283.13220	0.9
284.06757	3.1
284.10223	1.0
285.07544	2.7
285.10690	0.3
286.08258	0.6
291.10010	0.7
293.08118	1.0
293.11658	1.5
294.08746	1.0
295.06342	0.5
295.09610	6.1
296.06729	1.2
296.10327	1.8
297.07516	2.9
297.11157	3.2
298.08282	2.3
298.11862	1.1
299.05612	0.8
299.09097	6.9
299.12277	0.3
300.06256	1.2
300.09839	2.7
301.07227	0.3
301.10422	1.3
305.08255	0.5
305.11423	0.3
307.09476	0.6
308.10291	0.7
308.13849	0.3
309.07581	1.1
309.11136	3.4
310.08347	1.3
310.11896	7.4
311.09064	4.7
311.12683	2.9
312.06107	0.8
312.09860	4.5
312.13309	0.5
313.06967	1.3
313.10623	4.8
313.14343	1.8
314.07721	1.1
314.11359	0.7
315.08566	2.8
315.12238	1.7
316.09259	0.5
319.09369	0.5
320.10428	1.3
321.07907	0.3
321.11224	2.3
322.12027	0.4
323.12619	0.9
324.09888	0.6
324.13498	0.5
325.10687	9.2
325.14502	0.5
326.07739	1.1
326.11389	7.2
327.08578	5.1
327.12115	1.7
328.09351	2.2
328.12717	0.3
329.10086	3.1
330.10889	1.0
331.11578	0.4
334.11716	0.4
335.12839	0.7
336.09769	0.6
336.13495	0.6
337.10583	0.7
338.11627	0.3
339.12125	1.6
340.13037	16.4
341.10089	6.7
341.13779	10.0
342.10934	11.8
342.14267	0.6
343.08008	1.7
343.11670	3.5
343.15540	0.3
344.08408	0.3
344.12250	0.4
351.12234	4.0
352.12936	0.7
353.10095	0.3
353.13876	0.6
354.14673	0.4
355.11459	0.3
355.15326	0.3
356.12527	10.3
356.16895	0.6
357.13159	2.6
357.17117	0.3
358.10291	2.8
358.13644	0.3
359.10889	0.3
366.14615	5.0
367.15228	0.9
368.12436	0.6
369.13431	1.1
370.13995	0.3
371.14874	11.2
372.15118	1.0
373.12778	6.1
374.12903	0.4
382.14130	0.9
383.14923	3.3
384.15579	4.5
385.16296	0.7
391.11691	0.4
397.16449	1.0
400.15140	0.9
415.17487	41.7
416.17786	4.2
437.15692	40.8
438.16104	4.4
544.37067	0.3
559.19348	100.0
560.19696	12.9
642.78210	0.3
700.88562	0.3
997.32892	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0366
Annotation	p-Benzosemiquinone
Peak:m/z	Relative Intensity
53.03939	1.9
54.04731	2.5
55.01860	2.8
55.05513	8.1
56.05031	1.3
56.96548	0.8
58.18533	0.6
63.02378	6.2
64.03156	5.9
65.03933	6.1
67.04256	4.1
67.05493	2.3
68.05025	2.3
68.05830	1.5
68.96348	0.8
68.99792	1.0
69.03427	1.8
69.07067	1.7
71.28960	1.1
76.08814	0.7
77.63802	0.7
80.05001	1.2
80.27267	0.7
80.87169	0.7
81.03426	4.1
81.05794	0.7
81.66710	0.7
82.03771	0.9
82.04211	9.2
82.05338	1.6
82.06586	9.9
82.07387	1.1
83.04975	4.9
83.06106	3.0
86.97349	0.6
91.05495	1.1
91.87666	0.7
92.02629	10.8
92.05015	1.9
93.03410	0.9
93.04537	0.9
93.07057	1.7
101.60462	0.7
101.89995	0.7
110.03668	100.0
110.06047	29.4
110.07169	1.7
110.09660	0.6
110.10451	0.8
111.04491	16.0
111.05569	3.0
111.06338	1.1
111.08089	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1102.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03955	0.8
93.10970	0.8
95.04961	2.6
97.19669	0.7
105.02703	1.7
105.03391	28.6
105.04475	1.7
109.50106	0.9
165.06981	3.5
179.08540	1.5
181.06432	1.5
182.07240	3.8
188.08261	0.9
195.08104	1.1
197.06004	1.0
197.09599	3.6
199.07422	1.0
203.10722	1.3
207.08099	1.9
209.09592	0.9
210.06734	8.0
211.07503	1.9
213.09167	1.2
216.36734	0.9
222.06689	1.3
223.07443	2.0
224.08272	1.6
225.05563	1.7
225.09081	20.1
226.06094	2.0
227.07147	1.8
235.07532	2.4
237.05516	0.9
237.09053	2.0
238.06149	5.7
239.07019	1.8
239.10701	1.6
240.07758	3.2
240.99345	0.9
241.08757	1.3
242.09428	1.7
249.09113	1.1
250.09857	0.9
251.07007	2.6
252.07764	4.0
253.04816	1.7
253.08603	18.5
254.05762	2.2
254.09258	1.3
255.06561	2.0
255.10150	2.1
256.07462	1.1
261.09085	1.8
263.07053	1.9
265.08612	3.1
266.05750	2.6
267.06570	2.7
267.10168	6.8
268.07285	4.5
269.07986	2.2
270.08810	2.0
278.09341	2.7
279.10196	1.1
280.07394	1.9
281.08081	41.7
282.08618	4.4
283.06079	2.6
283.09647	3.5
284.06763	3.0
285.04166	1.7
285.07556	2.9
285.11179	2.5
291.10034	0.9
293.08331	1.6
293.11676	3.5
294.08850	1.3
295.06207	1.3
295.09625	7.1
296.06778	3.0
297.07529	5.9
297.11200	4.8
298.08328	2.9
299.05600	2.0
299.09091	5.7
299.90518	0.8
300.06082	2.1
301.07132	0.9
308.10550	1.1
309.07544	1.6
310.08292	2.0
311.05548	1.9
311.09097	25.7
312.09756	4.6
313.07013	3.7
313.10635	6.2
315.08655	4.0
316.05920	0.9
317.06665	1.0
319.09543	1.3
320.10510	1.0
321.07629	1.9
321.11255	2.2
323.09079	1.0
323.12628	1.9
325.07080	1.5
325.10660	11.2
326.07932	7.8
326.11313	1.0
327.04950	1.6
327.08496	5.2
327.11963	1.2
328.09323	2.7
336.09894	2.1
337.10690	1.9
340.09393	1.5
342.07245	2.6
343.11758	100.0
344.12006	6.6
351.12228	8.0
352.13071	1.6
353.13766	2.0
355.11743	12.7
356.12015	0.8
357.09641	6.8
368.12170	0.9
369.13303	3.9
381.13718	1.1
383.14929	20.5
384.15292	1.3
392.33350	0.9
399.14377	58.3
400.14481	3.8
422.09909	1.1
447.14441	5.7
470.92322	0.9
505.18231	1.9
537.30432	0.9
1102.50769	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1104.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04976	8.7
87.87876	0.8
89.99193	1.0
132.62669	0.8
146.01198	0.8
187.44661	0.7
211.07516	1.3
219.08105	0.9
225.09093	1.2
231.08144	0.8
232.08922	1.6
233.09885	0.9
237.09196	1.0
239.06993	2.4
247.07639	1.0
248.08328	3.7
248.82394	0.7
249.09123	2.7
250.09828	0.8
253.08537	1.7
255.06311	1.1
260.08469	1.3
261.09106	1.4
262.09827	1.2
263.07050	1.4
263.10648	5.1
264.07819	1.1
265.08621	3.3
267.06400	1.4
267.13635	1.0
268.07217	1.3
270.05014	0.9
271.05917	1.1
275.07120	2.4
276.07822	2.6
277.08600	4.1
278.09464	1.7
279.10220	2.5
280.11075	1.3
281.08047	2.3
283.06186	0.8
285.07635	1.7
289.08527	1.9
290.09415	1.6
291.06503	2.5
291.10156	6.0
292.07285	1.8
292.10754	1.8
293.08078	3.3
293.11435	1.6
295.13327	3.7
297.07681	2.3
298.08359	1.1
299.09039	0.9
301.07098	1.0
302.07846	4.6
304.07355	1.7
305.08035	3.8
306.08896	2.6
307.09592	3.7
308.10239	1.8
309.10959	0.9
311.09027	4.2
315.08731	2.0
316.09790	5.0
318.08817	1.6
319.05954	2.0
319.09683	4.8
320.06808	2.6
320.10315	1.3
321.07529	2.7
321.11203	4.9
323.09552	1.0
323.12689	4.8
324.13324	1.3
325.10861	1.3
325.14410	1.5
327.15887	1.4
329.10199	1.2
331.09610	1.0
334.04916	0.9
334.08258	4.9
335.09088	17.8
336.09610	2.4
343.11755	1.3
348.09717	1.1
349.10715	9.3
350.11469	21.0
351.08588	1.3
351.12231	6.0
353.13840	4.9
354.14639	2.8
355.15356	10.3
366.10931	2.4
381.13309	100.0
382.13632	6.7
385.16428	50.6
386.16766	3.0
446.33112	1.0
481.18384	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1106.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05495	13.3
81.03437	0.3
81.07058	75.2
82.07394	1.1
82.54508	0.3
91.05479	4.5
93.07065	2.2
95.04971	4.7
95.08596	1.1
97.06501	0.4
98.23385	1.4
103.05477	0.4
104.50505	0.3
105.07018	4.3
107.04986	0.8
107.08582	2.2
109.06519	25.6
109.40182	0.3
111.04488	0.5
115.05435	2.1
117.06998	3.1
119.04955	1.1
119.08564	2.6
121.06498	2.7
121.10130	0.9
123.04431	1.0
123.08093	1.0
125.06035	0.6
128.06247	1.1
129.07019	3.3
131.04962	0.6
131.08574	3.3
132.05727	0.9
133.06502	3.9
133.10135	0.7
135.04405	0.4
135.08058	4.5
137.05977	100.0
138.06335	2.1
141.06984	1.5
142.07782	0.9
143.08560	5.5
145.06477	5.6
145.10098	2.8
146.07301	0.7
147.08052	4.1
147.11636	0.4
149.05949	0.9
149.09637	0.9
151.07578	0.8
153.05484	1.0
153.06981	0.7
154.07785	0.8
155.08580	3.3
157.06509	0.9
157.10130	3.5
158.07291	0.9
159.08054	11.5
159.11713	1.0
160.08766	1.0
161.06018	1.0
161.09634	3.7
162.27466	0.3
163.07558	4.5
165.05623	0.5
165.07019	1.0
166.07744	0.7
167.07146	0.6
167.08594	1.1
168.09387	0.5
169.10109	3.5
171.08026	2.8
171.11703	2.0
172.08786	1.3
173.06020	1.0
173.09622	8.4
174.10081	0.4
175.07608	2.3
175.11200	3.1
177.05473	0.3
177.09129	1.2
178.07735	0.4
179.06999	1.5
179.08575	1.3
180.09303	0.8
181.06569	0.4
181.08604	0.6
181.10072	3.2
182.07111	0.4
183.08067	1.5
183.11716	2.1
184.08734	0.3
185.09622	4.1
185.13229	0.9
186.10283	0.6
187.07491	1.4
187.11163	2.0
188.08302	0.5
189.09117	2.5
189.12733	0.4
191.07057	2.9
191.10683	0.7
192.09358	0.5
193.10095	1.7
194.10774	0.7
195.08037	1.3
195.11755	2.3
196.08867	0.6
197.09608	1.8
197.13263	1.3
198.10303	0.6
199.07550	0.9
199.11172	3.5
199.14940	0.4
201.09117	1.5
201.12708	1.2
203.06981	0.8
203.10654	5.5
205.08461	0.6
205.10208	0.4
206.10948	0.7
207.11652	1.7
209.09607	1.3
209.13242	1.0
210.10457	0.9
211.07745	0.5
211.11186	6.2
211.14665	0.7
212.11725	0.6
213.09190	2.0
213.12718	5.1
214.13181	0.5
215.10721	1.1
215.14206	0.5
217.08501	1.9
217.12164	0.7
218.09277	0.8
219.10129	2.0
219.11931	0.8
221.09604	0.7
221.13239	1.1
223.11176	2.5
223.14786	0.5
225.09090	0.7
225.12727	2.9
226.09923	0.5
226.13531	0.7
227.07083	0.4
227.10637	1.4
227.14279	2.4
229.12265	1.0
231.10077	5.2
231.13680	0.6
233.11522	0.8
234.10252	0.4
235.11101	1.2
237.09152	0.5
237.12756	2.7
239.10701	2.0
239.14232	2.6
241.12302	3.0
243.13919	1.0
245.11739	1.2
247.11275	0.5
249.09088	0.4
249.12709	1.0
251.10689	0.7
251.14250	0.5
253.12271	2.3
253.15930	0.6
254.13051	6.8
255.13803	3.5
257.11682	0.9
257.15399	0.8
259.13336	0.7
263.12762	1.3
263.14731	0.6
265.12308	1.8
265.15088	0.4
267.13754	1.8
269.11749	0.7
269.15091	0.5
271.13290	1.1
273.14972	1.3
277.12015	0.4
279.13788	0.5
281.11646	0.7
281.15344	0.9
282.12497	1.1
283.13309	3.3
285.14819	2.1
287.16534	0.5
291.13754	0.7
293.15152	0.5
295.13287	1.2
297.14880	0.7
299.12677	0.4
299.16599	0.4
300.13663	0.6
301.14349	8.7
302.14670	0.7
303.16275	0.5
307.17001	0.7
309.14893	1.1
313.14386	3.6
315.16064	0.4
319.13379	0.4
327.16196	0.4
331.15372	7.3
337.14777	0.5
343.15649	0.4
345.17789	1.1
347.78659	0.3
349.17999	0.4
354.15146	0.3
355.15591	2.0
363.19458	1.2
371.18402	1.2
373.16446	9.3
374.16959	0.7
387.19470	0.5
391.18207	38.6
392.19003	2.2
401.17349	0.9
403.18951	3.2
405.20300	1.1
407.22015	1.2
409.19785	0.7
415.18857	0.6
419.18362	6.6
421.20102	6.9
422.20444	0.6
423.21576	0.5
427.18790	0.5
431.18423	0.9
433.20236	2.2
435.21548	1.0
437.19470	18.9
438.19650	1.3
445.20139	0.6
449.19632	6.1
451.21143	6.0
452.21384	0.4
461.19644	2.2
463.15152	0.6
463.21136	8.8
464.21353	0.6
467.20663	28.1
468.20959	2.0
473.19312	0.6
479.20743	7.7
480.20441	0.5
481.22223	20.8
482.22498	1.7
485.21692	6.7
486.21945	0.6
491.20593	3.3
497.21738	16.9
498.21750	1.2
499.23227	3.7
509.21710	29.7
510.22021	2.6
527.22772	22.6
528.23126	1.8
545.23737	2.1
562.26367	2.4
563.26648	0.5
1032.64783	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1106.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05507	1.8
81.07064	2.3
87.04494	0.9
91.05506	2.7
93.07040	2.2
95.04976	7.8
95.08595	1.6
97.06508	0.9
103.05451	0.8
105.07047	3.6
106.22874	0.9
107.04976	0.9
107.08614	1.2
109.06532	10.1
111.08080	12.6
113.41954	0.8
119.08585	1.8
121.06519	3.5
121.10111	0.9
123.08105	2.5
129.07021	1.0
131.08548	1.5
133.06529	3.7
133.10123	1.2
135.08058	3.8
137.05998	1.2
139.03856	1.0
139.07526	8.6
141.06961	1.0
142.07750	0.9
143.08554	1.9
145.06537	1.7
145.10083	2.0
147.08072	3.8
149.06004	1.0
149.09634	2.0
153.05476	4.6
155.08609	0.9
157.10226	1.6
159.08043	4.6
159.11734	1.4
161.05981	12.8
161.09624	3.2
163.07544	1.2
163.11162	1.2
167.08572	1.2
169.10121	1.0
171.08116	1.3
171.11652	0.8
173.09644	5.7
173.10907	1.0
175.07599	1.6
175.11130	1.4
181.10126	2.5
183.08122	1.2
183.11737	2.5
185.09622	2.8
187.07570	1.0
187.11200	2.4
189.09131	1.8
193.10234	1.0
195.11774	1.2
197.09695	2.0
199.11206	2.6
201.09135	2.0
201.12828	2.3
203.10739	1.2
207.11703	2.4
209.13298	1.3
211.11238	2.8
213.09097	2.5
213.12733	1.6
215.10724	2.0
221.09708	1.3
221.13329	1.3
223.11212	1.8
223.14885	1.3
225.12778	4.9
227.10716	2.6
229.12265	1.6
233.13341	1.8
235.11191	3.4
235.14809	1.2
237.12712	2.4
239.10657	1.4
239.14371	2.4
241.12276	1.7
243.10164	1.1
243.13808	1.4
247.11150	1.1
247.14996	0.9
249.12807	1.9
251.14531	1.0
252.11432	1.2
253.12276	13.1
255.13808	1.0
257.11801	1.2
259.11035	0.9
261.12781	1.2
263.14313	1.7
265.12238	3.3
265.15790	1.6
267.13882	2.0
271.13400	1.3
275.12961	1.3
277.12320	1.1
277.15881	2.0
279.13760	1.4
281.11798	2.3
289.16010	1.0
293.15396	2.3
293.19467	0.9
297.14911	1.4
303.13748	1.1
303.17413	2.4
305.15353	1.3
307.16760	2.6
307.20093	1.0
317.15460	1.4
317.18945	2.5
321.14792	1.2
321.18320	1.4
323.16525	1.0
331.16818	2.0
335.16315	1.5
335.20001	3.7
337.17325	0.8
345.14804	1.4
345.18454	5.3
347.19995	1.4
349.18060	3.8
363.19571	26.9
364.19897	1.3
373.17947	5.7
375.19440	1.8
376.20343	1.0
377.21320	1.2
381.20743	5.0
391.18997	67.1
392.19376	4.2
393.20706	1.8
401.17422	1.9
403.19162	6.6
405.20767	3.0
407.22205	2.3
409.20081	100.0
410.20493	7.7
419.18423	20.6
420.18555	1.7
421.20111	23.0
422.20364	2.4
423.21616	2.5
433.20026	2.0
435.21896	1.2
437.19507	93.8
438.19907	8.1
439.21207	17.1
440.21457	1.4
445.20157	1.7
446.35837	0.9
449.19461	4.5
451.21170	9.3
455.20630	52.3
456.20972	5.1
463.21097	14.4
464.21414	1.3
465.22653	1.6
467.20648	63.9
468.21039	4.7
469.22299	2.9
470.22354	1.1
479.20502	1.4
481.22177	32.2
482.22437	3.3
483.23557	1.4
485.21701	98.6
486.22098	8.4
491.20612	2.4
497.21832	1.2
499.23267	90.3
500.23599	8.1
509.21762	12.3
510.22162	1.3
515.23047	1.0
527.22748	72.9
528.22919	4.1
545.23785	62.7
546.24139	5.1
562.26013	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1106.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05495	13.9
81.07059	72.1
91.05497	6.9
109.06517	24.4
135.08072	5.5
137.05989	100.0
138.06374	4.8
141.07011	4.8
145.06471	5.5
147.08037	5.3
148.59555	4.7
175.07500	5.9
191.06993	4.6
277.22089	5.4
336.52847	4.6
419.18604	10.2
437.19647	14.0
449.19650	7.0
465.22961	5.1
479.20639	10.7
491.20370	19.1
509.21869	43.8
527.22760	35.0
528.21973	5.6
555.75970	5.9
562.26691	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1106.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05490	0.5
81.07069	0.5
88.18463	0.3
91.05504	1.1
93.07054	1.3
95.04968	1.9
103.05450	0.3
105.07062	0.9
107.04962	0.5
107.08612	0.9
109.06517	3.4
111.08084	4.8
117.07043	0.6
119.05023	0.3
119.08593	0.8
121.06519	1.2
121.10109	0.3
123.08080	0.5
126.19303	0.2
128.06227	0.3
129.07005	0.3
131.08595	0.6
133.06479	0.7
135.08054	1.0
137.06036	0.4
139.07539	1.5
141.25606	0.2
142.07906	0.3
143.08591	0.8
145.06494	0.6
145.10150	0.6
147.08049	1.3
147.11702	0.5
148.21677	0.2
149.05992	0.3
149.09598	0.3
153.05470	1.4
155.08603	0.9
156.09387	0.3
157.06488	0.3
157.10127	0.4
159.08063	1.6
159.11728	0.4
161.05971	3.3
161.09642	0.8
163.11136	0.2
165.07002	0.3
167.08618	0.3
169.10179	0.5
171.08023	0.6
171.11670	0.3
173.09648	1.0
175.07632	0.4
181.10188	0.5
183.08107	0.5
183.11697	0.6
185.09706	0.7
187.07518	0.3
187.11218	0.6
189.09055	0.4
193.10156	0.5
195.11725	0.6
197.09639	0.9
197.13342	0.5
199.07565	0.3
199.11145	0.5
203.10727	0.4
207.11705	0.8
209.09668	0.7
209.13293	0.6
211.11217	0.8
213.09120	0.8
213.12814	0.6
217.12238	0.4
221.09816	0.3
221.15926	0.2
222.10442	0.3
223.11179	0.6
223.14816	0.3
225.09312	0.3
225.12651	1.6
227.10710	0.6
229.08469	0.4
229.12303	0.4
233.13327	0.4
235.11227	0.8
235.14925	0.3
236.11922	0.3
237.09084	0.4
237.12801	1.3
239.10678	0.6
241.12326	0.3
247.11272	0.6
249.09354	0.3
249.12781	0.7
250.13448	0.3
251.10895	0.6
251.14345	0.4
253.12256	4.6
254.13094	0.4
255.13818	0.4
259.14844	0.3
261.12955	0.4
263.10477	0.3
263.14374	0.5
265.12180	1.2
265.16043	0.3
267.10266	0.8
267.13794	0.6
271.13275	0.4
275.12592	0.5
277.12527	0.4
277.16068	0.7
279.13812	0.6
279.17398	0.3
281.11591	0.3
281.15552	0.3
283.13211	0.3
287.14392	0.4
289.12372	0.3
291.17734	0.3
293.15485	0.4
295.13504	0.3
295.17026	0.2
297.15088	0.3
299.12802	0.3
301.16046	0.3
303.14133	0.3
303.17413	0.5
305.15280	0.5
307.13232	0.7
307.16959	0.7
307.20471	0.3
317.15323	0.5
317.18958	0.6
319.17059	0.4
321.14972	0.5
325.14368	0.3
331.13284	0.3
335.16425	0.3
335.19919	0.6
343.16986	0.3
345.18481	1.7
347.16281	0.4
347.20078	0.4
349.18021	0.7
361.17932	0.4
363.19656	1.9
365.17368	0.3
373.18039	2.1
375.19571	1.1
377.21231	0.5
381.20621	0.9
385.18134	0.3
389.21613	0.3
391.19019	30.8
392.19345	2.1
393.20706	0.4
399.19363	0.3
403.19003	4.5
405.20746	0.9
407.22360	0.3
409.20084	30.1
410.20322	1.6
417.20541	1.0
419.17920	1.9
421.20084	12.0
422.20413	1.1
423.21591	0.9
433.19971	0.6
435.21951	0.5
436.21713	0.3
437.18896	5.5
437.24619	0.5
438.19632	0.6
439.21136	9.3
440.21481	0.6
445.20013	1.1
449.19690	0.5
450.20163	0.3
451.21100	4.6
455.20590	0.7
463.21204	5.3
464.21378	0.7
467.20685	9.6
468.21069	0.6
469.22241	1.8
481.22195	21.5
482.22443	1.6
485.21411	1.3
497.21521	0.3
499.23260	100.0
500.23560	7.1
509.21716	2.3
527.22809	5.7
528.23352	0.5
545.23834	23.8
546.24347	1.4
568.23077	0.4
582.29907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
89.06322	0.3
96.39894	0.3
128.34520	0.3
256.58725	0.3
326.18695	0.4
394.10132	0.3
396.11902	0.5
397.12909	0.9
398.13345	0.5
409.13211	0.6
410.13486	1.4
411.14603	4.1
412.15231	2.7
413.15976	1.6
423.14804	0.6
424.11307	1.7
424.15338	1.5
425.16272	7.1
426.16812	6.0
427.17401	1.7
428.18466	0.9
436.15857	0.4
437.11908	0.5
438.12167	1.7
438.17792	0.5
439.13550	9.4
439.19220	0.5
440.13748	1.1
440.19366	3.2
441.19260	26.1
442.13290	0.5
442.19376	3.1
451.18036	0.7
452.14215	2.4
453.15192	10.2
454.16052	3.1
455.16721	0.5
457.14893	0.4
458.15411	0.6
463.14056	0.9
465.15598	0.9
466.11935	0.6
467.17233	22.7
468.17816	10.2
469.18808	12.1
470.18951	0.9
471.16882	0.4
472.16989	0.5
481.14853	16.4
482.15442	5.1
485.18365	0.6
486.18240	0.4
494.15158	0.4
495.16013	4.3
496.17242	11.2
497.17999	4.0
498.17624	0.6
499.15570	0.8
508.19205	0.4
509.18307	1.8
510.19412	0.4
512.21155	0.6
514.22491	1.4
522.18298	0.4
523.19568	1.3
524.20300	0.4
527.23468	1.7
539.18616	0.4
540.20172	0.5
542.21442	0.6
551.19525	0.4
555.22400	19.5
556.22687	2.5
568.19769	0.4
573.23773	0.4
583.21857	100.0
584.22113	13.2
586.20221	0.5
587.25092	1.1
611.20972	2.3
612.21185	0.4
614.23694	0.4
615.24536	6.4
616.23962	0.7
642.23010	3.2
643.23932	56.6
644.24139	6.5
830.44275	0.3
949.40448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1111.372
Annotation	Unknow
Peak:m/z	Relative Intensity
86.89967	1.4
101.07874	1.3
110.36637	1.3
145.97543	1.4
149.84926	1.3
186.59415	1.4
227.53560	1.3
299.09229	2.0
312.09842	1.6
325.10709	2.1
340.13065	5.3
341.10117	2.0
341.13928	2.1
342.11072	1.7
356.12891	2.0
373.12781	2.1
384.15622	2.1
415.17404	6.6
453.13144	5.4
529.58356	1.3
575.16748	100.0
576.17126	9.0
634.49518	1.4
643.97833	1.4
810.69043	1.4
959.71832	1.5
1100.23315	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1111.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07060	0.3
83.98019	0.2
98.23403	0.7
108.50353	0.1
111.24329	0.2
137.05898	0.4
145.90834	0.2
163.07367	0.2
169.56981	0.2
177.23827	0.2
203.06812	0.3
205.08380	0.3
211.10866	0.2
220.06973	0.2
221.07889	0.7
231.09990	0.5
233.07890	0.2
245.07721	0.2
259.09488	0.6
261.07495	0.2
261.11270	0.3
262.07996	0.2
271.09454	0.2
272.10239	0.6
273.10901	0.7
274.11786	0.5
275.09055	0.4
289.10428	0.6
290.11221	1.7
297.14398	0.4
306.10583	0.2
309.14438	0.2
315.15652	0.5
323.12479	0.4
325.14139	0.6
327.15710	0.3
339.15778	0.2
341.13663	0.3
343.15152	1.0
353.13708	0.8
357.16760	0.5
369.12573	0.2
371.14713	0.3
381.13019	0.5
383.14594	0.6
385.16153	0.5
399.14114	0.2
401.15567	0.8
431.18298	0.4
447.21295	1.0
449.19208	0.9
465.22684	0.3
475.21295	0.2
477.22757	1.1
493.21408	0.2
495.23636	1.2
496.23944	0.2
505.21841	1.6
521.21436	3.0
522.21436	0.3
523.23047	2.2
524.23260	0.5
531.20117	0.4
539.22491	8.5
540.22681	0.5
549.20959	6.8
549.29602	0.2
550.21112	0.6
567.21967	100.0
568.22314	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72524	0.1
56.97754	0.1
67.01886	0.2
67.02988	0.2
67.05499	0.2
67.13306	0.1
68.01396	0.6
68.05032	1.2
69.03429	1.6
69.04551	1.5
70.02958	18.4
70.06593	100.0
70.98060	0.2
71.06309	0.2
71.06924	2.5
71.07266	0.1
71.07595	0.2
71.07954	0.2
71.94099	1.5
72.45230	0.2
78.35527	0.1
84.08151	0.6
85.07669	0.3
88.99083	0.2
94.04042	0.8
95.02457	6.5
95.06085	2.0
96.00855	13.9
96.04516	0.5
112.03963	0.3
112.05094	14.2
112.07604	2.8
112.08728	1.9
113.02380	3.1
113.03492	24.8
113.07112	0.3
121.51009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1120.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
78.55978	5.3
81.23214	6.2
83.04981	100.0
89.05703	5.0
99.88967	6.3
100.51624	4.6
102.30000	5.0
134.15538	5.1
163.76909	4.9
171.08621	5.3
195.06451	8.0
200.96100	5.5
262.59833	5.2
265.08600	7.5
269.04507	10.4
280.59818	6.8
297.03961	9.6
297.54959	5.1
305.08160	7.9
307.09680	11.4
312.06183	10.4
313.07047	11.1
321.07770	10.9
334.08536	6.9
335.09158	12.3
336.09833	7.9
338.97980	6.0
341.10080	7.0
363.08377	8.5
365.10229	11.9
367.11807	29.4
377.10095	19.1
381.09674	6.6
387.17902	31.5
395.11221	77.9
413.12198	15.0
467.16586	6.5
495.16425	15.6
506.01703	5.9
590.25659	6.2
954.91968	6.3
1043.88428	7.1
1143.40869	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1122.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05483	3.5
81.07058	12.7
81.16815	0.6
91.05500	1.8
93.07052	2.0
95.04990	2.4
105.07040	1.9
107.08595	1.2
109.06521	8.2
111.08099	3.8
119.08578	1.0
121.06468	1.1
123.04398	1.1
123.08112	1.2
129.07063	1.1
131.08545	1.4
133.06520	1.3
135.04410	1.4
135.08034	1.3
136.06436	0.7
136.98965	0.7
137.05975	18.1
139.07573	1.8
141.07062	1.1
143.08578	2.2
145.06483	1.5
145.10124	1.3
147.08090	2.0
147.11678	0.9
149.05994	1.3
149.76239	0.8
151.07465	0.9
153.05478	1.8
155.08553	1.8
157.10191	1.0
159.08052	2.9
160.08910	0.9
161.05989	4.0
161.09595	1.6
164.32474	0.7
167.06937	1.0
167.08485	0.8
169.10162	1.1
171.08104	1.3
171.11639	0.8
173.09628	4.3
175.07578	1.2
181.10138	1.2
185.09624	1.6
187.07530	1.0
187.11237	3.1
189.09175	1.5
189.12825	1.4
193.10141	1.0
195.08107	1.0
195.11751	0.8
197.09618	1.1
199.11238	1.8
201.09096	1.8
209.09760	1.1
211.07498	1.1
211.11296	1.7
213.09135	1.3
213.12715	0.7
221.13310	0.9
223.11217	1.3
225.12787	1.6
227.10672	1.0
229.08592	1.2
233.11679	1.1
237.12743	1.6
239.10646	0.9
239.14511	1.0
247.11279	0.9
249.12782	0.8
249.44777	0.9
253.12251	4.6
255.10120	0.9
263.10971	1.0
263.14288	1.0
265.12296	1.1
265.15878	0.8
271.13300	1.2
274.94894	0.7
279.13821	0.9
281.15283	0.9
293.15399	1.2
307.13254	1.2
313.14246	1.3
345.18637	1.0
363.19617	2.3
373.17746	1.6
385.17896	1.0
389.16953	1.2
391.19046	28.0
392.19370	2.0
403.19061	4.6
407.17935	3.2
409.20068	27.1
409.25583	1.3
410.20459	2.2
419.18579	2.2
421.20145	15.0
422.20752	1.0
431.18588	1.8
435.17975	2.3
437.18765	5.1
439.21231	7.4
445.20218	1.1
449.19788	2.3
451.21173	5.8
453.19153	3.4
455.20773	1.2
463.21283	4.9
467.20605	10.2
469.22455	2.0
471.20178	3.2
477.19147	1.4
479.20676	1.4
481.22144	18.8
482.22183	1.0
485.21637	2.1
485.72137	0.8
491.20642	0.9
497.21536	2.0
499.23267	100.0
500.23633	10.9
507.20248	1.0
509.21649	2.8
515.22583	1.2
525.21112	5.9
527.22534	4.9
528.23340	1.0
531.21790	0.8
543.22327	7.1
545.23846	16.8
546.24579	1.2
561.23206	8.1
562.23975	1.2
567.21906	2.0
577.20343	1.8
578.26379	16.8
579.26166	1.6
583.20685	1.3
916.52240	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.5276
Annotation	Unknow
Peak:m/z	Relative Intensity
86.14725	0.4
94.73479	0.3
99.15963	0.5
103.34718	0.4
119.67728	0.4
153.00688	0.4
153.02304	0.4
153.03430	0.6
187.31288	0.4
320.33664	0.4
396.12314	0.6
397.12781	1.3
410.13724	2.3
411.14465	4.1
412.15201	3.3
413.15817	1.6
423.14722	1.0
424.11206	1.4
424.16287	2.0
425.16257	7.6
426.16956	6.2
427.17395	2.5
428.18738	2.0
437.11679	0.7
437.16733	0.7
438.13022	2.1
438.17557	0.7
439.13422	11.3
440.13922	1.6
440.19205	3.7
441.19278	28.6
442.19714	4.3
451.13425	0.6
452.14209	3.5
453.15280	13.4
454.15726	4.3
455.16290	0.9
456.17813	0.5
457.14673	0.7
463.13809	0.9
465.15283	0.6
466.12268	0.7
466.17004	0.4
467.17163	24.1
468.17792	13.0
469.18854	11.4
470.19296	1.8
471.16498	1.0
472.16751	0.6
477.15610	0.5
478.15726	0.4
479.17136	0.5
480.13647	0.6
481.14896	16.2
482.15433	4.5
483.16229	0.9
485.18533	0.7
486.18964	0.7
494.16147	0.5
495.16443	10.7
496.17157	14.0
497.17694	4.8
499.17209	0.5
509.18497	2.7
510.18961	0.5
512.20563	1.3
514.22729	2.3
522.17535	0.5
523.19781	1.6
524.20099	0.6
525.17340	0.6
527.23468	2.4
528.23499	0.8
539.19714	0.5
540.19946	1.0
542.21454	0.9
555.22412	23.6
556.22693	4.1
557.21997	0.6
568.19855	0.7
583.21857	100.0
584.22144	18.1
585.21997	1.1
586.21283	0.6
587.24780	1.4
611.21448	1.9
614.24567	0.5
615.24408	6.9
616.24762	1.1
642.23230	9.3
643.23938	88.0
644.24207	15.1
645.24109	0.7
1036.21301	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1124.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
149.81163	0.6
178.07739	0.9
179.08510	0.8
185.05988	0.6
192.09575	0.6
205.06424	1.0
209.05965	0.7
220.08876	1.1
222.06883	1.5
224.08247	0.9
225.09172	1.0
227.06956	0.9
233.06021	0.9
235.07628	1.2
235.11234	1.1
236.08386	0.9
237.09106	2.4
238.06274	1.0
239.07050	1.5
239.10828	1.3
247.07671	1.3
248.08258	0.8
249.09149	2.0
250.06226	1.5
250.09724	1.1
251.07042	1.6
251.10660	1.7
252.07825	1.6
252.11368	0.9
253.08578	2.3
253.12401	1.1
255.06528	1.4
256.07263	1.8
257.08124	1.6
261.09109	0.7
262.09924	0.8
263.07715	0.5
263.10602	4.0
264.07886	1.3
264.11249	1.3
265.08624	6.0
265.12177	1.7
266.05673	1.1
266.09360	1.3
267.06512	2.7
267.10181	3.9
268.07150	1.1
269.04471	1.0
271.06122	0.6
271.09586	1.3
272.06628	0.7
277.08582	2.2
279.06717	0.9
279.10229	2.1
280.07288	2.3
280.10962	2.3
281.08139	3.2
281.11725	5.4
282.05212	0.8
282.08667	0.9
283.06027	0.9
283.09723	1.0
284.06699	4.4
285.07574	7.9
291.06787	1.2
291.10150	1.9
292.07236	1.1
292.10873	1.0
293.08121	6.3
293.11697	3.5
294.08688	2.2
294.12173	0.8
295.09647	5.2
295.13284	5.1
296.10284	1.0
296.13629	1.1
297.07697	1.0
297.11234	3.0
297.14410	1.0
298.08453	1.3
298.11829	1.1
299.09149	4.9
300.06570	0.7
300.09879	3.6
301.07022	0.7
302.07651	0.8
306.12415	1.5
307.09631	2.1
308.07117	1.0
308.10214	3.5
309.07825	0.8
309.11188	9.7
310.08289	1.2
310.11752	1.9
311.09143	0.8
311.12509	1.0
312.13464	2.5
313.07129	1.0
313.10654	1.0
313.14130	1.3
314.07928	1.0
314.11420	5.9
315.08594	2.1
317.10229	1.0
322.11996	3.4
323.09198	1.8
323.12766	7.2
324.13559	3.2
325.07022	1.1
325.10684	6.9
325.14304	5.1
326.11356	2.6
327.08649	1.5
327.15863	1.7
328.09296	1.3
329.10089	1.0
340.09412	1.3
340.13037	7.9
341.10220	0.7
341.13834	16.8
342.10925	2.5
342.14462	1.0
355.11633	12.2
355.15421	26.1
356.12534	2.0
356.16150	55.3
357.12888	4.8
357.16727	2.8
359.18420	1.6
381.13348	1.2
387.17996	100.0
388.18326	5.5
399.14377	4.2
413.15897	0.8
421.12354	0.7
485.27081	0.7
501.25742	1.1
502.26346	1.6
503.27063	2.8
504.27667	1.7
509.21564	1.3
521.17828	1.4
582.20410	1.1
643.21075	1.2
645.83344	0.7
1146.19055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1124.5578
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07046	4.0
83.79041	3.6
93.06989	4.4
95.08617	4.4
105.07052	4.7
117.07054	5.3
119.08591	7.0
133.10144	5.7
137.06038	5.3
141.06995	3.7
155.08537	6.8
169.10153	7.1
173.82220	4.2
177.05443	4.2
197.09569	5.8
207.11653	9.3
212.93390	4.6
215.10687	5.7
323.19888	4.4
399.22891	5.2
413.25009	4.6
431.25641	7.4
441.24280	38.4
459.25308	100.0
460.25528	13.1
477.26437	22.8
576.78723	4.7
1125.36157	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
83.08427	0.2
98.23393	0.2
99.18692	0.2
104.19403	0.2
110.54519	0.2
124.54734	0.2
127.22732	0.2
140.67229	0.1
184.76617	0.1
192.28546	0.2
192.59619	0.2
219.95447	0.2
398.05374	0.2
445.12073	0.4
567.22046	1.8
583.19415	100.0
584.19720	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
80.56738	0.3
87.71500	0.2
107.96326	0.2
137.05997	0.8
168.85074	0.2
229.11929	0.2
236.28064	0.2
237.07385	0.5
269.15158	2.0
272.10022	0.3
273.10974	11.2
274.11392	0.6
285.14557	0.2
290.11322	1.0
297.14328	0.3
299.12924	0.3
301.10562	1.5
313.14072	2.4
315.15613	0.3
319.11597	0.3
322.10233	0.5
327.15872	0.5
328.16534	1.1
331.15112	0.4
332.12463	0.3
341.13641	0.6
345.16666	0.6
359.14700	1.1
363.10455	0.8
373.16293	0.4
390.16544	0.7
417.15091	1.4
418.16034	0.5
459.17868	0.3
475.21017	0.4
477.18723	0.3
478.80798	0.2
493.21780	0.5
505.21973	0.6
521.21228	0.4
523.22723	0.5
529.25842	0.3
537.20630	0.5
539.22394	0.7
549.20923	9.4
550.21613	0.6
555.21936	0.4
565.20239	1.6
567.21967	100.0
568.22351	9.1
583.21448	72.2
583.40192	0.4
584.21820	7.3
599.18762	0.4
736.40442	0.3
1092.69897	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1129.5748
Annotation	Unknow
Peak:m/z	Relative Intensity
79.71984	1.2
85.23188	1.3
124.33145	1.3
152.76480	1.4
215.34621	1.5
217.66234	1.3
357.70401	1.5
398.13098	1.5
410.13455	2.6
411.14505	5.9
412.15228	5.2
413.16260	2.4
423.15338	1.5
424.11200	2.0
425.16330	13.0
426.17075	8.1
427.17297	3.6
428.18164	1.5
438.13046	3.9
439.13559	17.2
440.18347	5.8
441.19254	45.8
442.19376	5.8
452.14752	3.0
453.15366	24.8
454.16074	7.3
467.17261	30.4
468.17880	19.3
469.18842	14.8
481.14709	14.7
482.15088	3.2
495.16351	6.7
496.17307	14.8
497.17880	3.9
498.18637	1.8
499.20007	1.5
499.64468	1.5
509.17661	2.3
510.18491	1.5
514.22070	3.4
523.20215	2.2
527.22571	4.1
553.73370	1.4
555.22388	46.5
556.22937	8.9
583.21881	96.4
584.22015	16.5
585.21594	1.6
587.24884	3.8
611.21356	2.4
615.24573	16.4
616.24469	1.8
642.22882	6.2
643.23975	100.0
644.24023	18.6
769.63055	1.3
811.56415	1.5
1071.65784	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.451
Annotation	Unknow
Peak:m/z	Relative Intensity
81.93411	0.5
90.76689	0.5
91.79501	0.5
146.03389	0.5
158.38094	0.4
159.04182	0.7
204.07574	4.3
227.06937	1.1
245.07939	1.0
277.10452	10.5
279.06439	0.6
294.08560	5.8
295.09354	0.5
325.10449	38.4
326.10867	2.0
366.12997	0.6
561.20746	0.7
579.21991	100.0
580.22412	8.9
735.20502	0.6
1007.77930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1138.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
78.67078	0.9
79.05517	1.2
81.07037	2.1
91.05489	1.8
105.07064	2.5
109.06533	3.2
111.08155	1.2
115.05452	1.1
121.06495	1.6
121.10168	1.2
123.08023	2.8
129.07034	1.0
131.04916	1.8
131.08566	1.1
135.08035	2.0
137.05957	2.2
139.07492	1.2
145.10181	1.7
147.08035	2.1
149.05975	1.5
149.09607	1.3
153.05475	1.6
159.08058	3.0
161.09651	3.1
167.07092	3.2
173.09593	2.3
181.09956	1.0
185.09657	1.6
187.11165	4.4
191.10620	1.1
201.09158	1.4
205.08617	1.3
210.13666	1.2
213.09056	1.8
215.10506	1.4
219.06609	2.2
231.10164	1.4
233.11746	2.2
257.11819	1.3
259.13202	1.8
283.13379	1.1
287.14319	1.1
303.12482	1.3
331.16919	1.2
347.16473	1.4
351.15866	1.7
377.21204	1.9
393.16730	2.5
393.21204	1.4
395.22327	6.0
403.19003	1.3
411.18054	1.1
421.20282	10.5
423.22095	6.5
431.18402	2.3
435.21814	1.7
439.21500	1.8
449.19482	11.6
451.21002	2.9
467.20630	21.6
468.20908	2.6
469.22458	1.5
477.18970	3.1
495.20135	19.3
496.19724	1.5
507.19962	4.9
513.21173	100.0
514.21588	8.5
517.24219	8.3
525.21155	13.0
543.22058	8.2
561.23303	10.6
578.25970	15.0
579.25708	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1138.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07053	3.7
91.05463	4.5
93.07049	3.4
95.04962	2.7
95.08570	3.3
105.07021	4.8
107.08600	3.9
109.06522	6.7
109.37352	1.2
111.08101	2.6
117.06995	3.3
119.08582	5.1
121.06486	3.1
121.10146	2.2
123.04409	2.8
123.08079	5.8
125.65127	1.4
128.06212	1.8
129.06987	3.9
131.08572	3.9
133.10153	2.5
135.08008	3.8
137.05962	4.5
139.07562	2.1
141.06989	1.4
142.07756	1.5
143.08592	4.9
143.74203	1.5
145.06509	4.4
145.10098	4.2
147.08044	5.3
149.06020	2.1
149.09511	2.5
151.07527	2.7
153.01880	1.9
153.05473	2.7
155.08565	1.4
157.06444	2.0
157.10124	4.0
159.08058	6.9
161.09644	7.8
163.11172	4.0
165.09050	2.2
167.07101	1.8
167.08459	1.6
169.10062	1.8
171.08000	3.7
171.11726	2.2
173.09645	5.5
175.07516	2.8
175.11171	4.1
177.09122	1.5
183.08026	1.6
185.09656	5.5
187.07484	2.5
187.11182	10.1
189.09122	5.5
189.12717	2.5
191.07031	2.0
191.10678	2.3
195.11754	1.9
195.48122	1.5
197.09631	4.4
199.11197	4.2
201.09113	3.5
209.09558	1.8
211.07411	2.0
211.11172	2.6
213.09111	3.1
213.12732	2.6
215.07085	1.9
215.10709	2.0
217.08594	2.6
219.06500	3.8
219.10146	4.0
223.11255	1.3
225.09088	2.6
225.12804	2.3
227.10701	2.2
231.10211	2.2
233.11652	3.3
237.12807	2.2
241.08545	4.0
243.10043	3.2
247.09662	4.0
251.10651	1.9
251.14378	2.0
255.13812	2.0
259.09424	3.7
265.12280	3.3
271.09521	2.4
275.14221	1.7
277.12561	1.5
277.15790	2.4
287.09183	5.2
291.13864	1.6
291.17068	2.2
295.17148	1.8
305.15332	2.5
307.16821	2.3
309.18616	1.9
319.16956	3.0
323.16141	1.8
333.14676	1.9
337.17892	3.6
347.16141	4.7
349.17865	2.2
351.15424	1.7
355.19098	1.7
361.17816	1.9
363.16086	1.8
365.17444	10.2
375.15936	5.3
377.17441	4.2
377.21570	1.8
379.19131	2.2
387.19562	2.5
393.16800	15.7
393.21024	2.2
395.17688	2.7
395.22498	9.7
403.18912	5.4
405.20496	4.6
411.18100	9.3
419.18463	1.5
421.16125	5.7
421.20178	7.4
423.21906	10.4
424.21786	2.6
431.18558	3.8
433.20154	3.5
439.17117	18.3
440.17703	1.6
441.23584	2.0
449.19681	15.1
451.21317	5.3
459.19833	2.4
467.20593	16.2
468.20895	2.0
469.18466	5.9
477.18692	3.8
479.21179	1.8
487.19604	77.1
488.19803	7.0
495.20282	19.8
496.20078	1.7
497.21280	2.6
507.20044	4.7
513.21185	100.0
514.21729	10.9
515.22687	4.3
517.24347	67.2
518.24628	5.8
525.21106	23.1
543.22229	35.2
544.22186	5.3
561.23273	51.1
562.23114	4.3
578.25989	40.0
579.26324	2.8
1114.37000	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1138.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05498	3.0
80.69755	0.4
81.07056	15.0
91.05479	2.4
93.07053	1.7
95.04977	2.4
95.08634	0.5
97.02914	1.0
97.06513	0.8
103.05507	0.6
105.07040	1.6
107.05001	0.4
107.08606	0.5
108.13828	0.4
109.06520	7.2
111.04448	0.8
111.08066	0.7
115.05397	0.7
116.14832	0.3
117.07020	1.9
119.08586	1.0
121.06537	1.1
123.04430	0.4
123.08118	0.6
123.37763	0.4
128.06227	1.9
129.07010	3.7
131.04976	0.6
131.08594	2.6
131.75824	0.4
132.05701	1.0
133.06494	3.3
133.10117	0.7
135.04410	0.4
135.08070	1.0
137.05975	24.9
138.06305	0.7
139.07561	1.2
141.07002	1.3
142.07776	0.8
143.08551	3.9
145.06482	3.7
145.10107	3.5
146.07288	1.0
147.08049	2.7
147.11801	0.5
149.06006	1.3
149.09589	0.5
153.05513	0.8
153.06998	0.8
154.07756	0.5
155.08527	2.3
156.09317	0.4
157.06523	0.6
157.10114	1.9
158.07266	0.9
159.08110	3.9
159.11694	1.2
160.08734	0.6
161.06096	0.5
161.09587	2.9
163.07530	0.7
165.05463	0.4
165.07014	1.0
167.07114	0.4
167.08551	0.8
168.09319	0.5
169.06602	0.4
169.10162	1.7
171.08017	2.0
171.11748	1.1
172.08795	0.8
173.09621	14.1
174.10297	0.5
175.07607	0.9
175.11198	1.2
179.07085	0.5
179.08569	0.5
181.10193	1.7
183.08095	0.7
183.11755	0.9
185.09625	4.4
187.07602	1.3
187.11176	15.3
188.11646	0.4
189.09096	2.4
189.12769	2.1
191.06955	0.7
191.10745	0.6
192.09413	0.4
193.08609	0.6
193.10190	0.6
195.08176	0.5
195.11781	0.6
196.08803	0.4
197.09711	1.2
199.07620	1.2
199.11160	3.0
201.09175	1.2
201.12755	1.1
203.08919	0.4
203.10764	1.3
205.08623	1.1
207.11707	0.5
209.09673	1.1
209.13193	0.4
211.11230	1.0
211.34346	0.4
213.09151	0.6
213.12834	0.5
215.10706	1.7
217.08607	1.1
217.12228	0.8
219.11899	0.7
220.08850	0.5
221.09685	0.9
221.13185	0.4
223.11096	1.9
224.11987	0.4
225.09137	0.9
225.12810	1.7
227.10625	3.3
227.14291	0.6
233.09660	0.5
233.11684	10.5
235.11275	1.4
237.09163	1.1
237.12698	1.8
238.13522	0.4
239.10767	1.1
239.14316	1.4
241.12308	1.1
242.13055	0.6
243.10164	1.0
243.13913	0.4
245.08116	0.6
245.11610	1.7
248.12225	0.4
249.09282	0.6
249.12865	1.1
250.09962	0.9
250.13394	0.5
251.10680	3.2
251.14256	0.8
252.11505	0.9
253.08630	0.5
253.12318	1.5
254.13060	0.5
255.13829	1.7
256.14529	0.6
263.10660	1.4
264.11630	0.6
265.12207	1.6
266.13156	0.9
267.10605	0.5
267.13889	1.9
268.14542	0.8
269.11765	1.2
269.15170	0.4
271.09900	0.6
277.12457	0.6
279.10291	0.9
279.13562	0.7
280.10992	0.4
281.11719	0.6
282.12686	0.5
283.13315	1.3
284.14087	1.2
289.12500	0.6
293.11813	0.7
294.12677	0.8
295.13290	0.6
297.11575	0.4
299.12866	0.4
305.11798	0.5
307.13425	0.9
309.15039	0.5
311.12888	1.3
313.14536	0.5
315.13901	0.4
325.14563	0.4
329.13959	0.5
347.16479	0.5
375.19778	0.5
389.17410	1.6
391.19324	0.4
399.15750	0.9
403.19238	1.8
407.18509	12.9
407.23898	0.8
408.18958	1.1
413.17603	0.8
415.19061	0.5
417.16876	5.2
417.21201	0.5
418.17291	0.5
419.18637	3.2
421.20105	13.2
422.20612	1.2
423.21637	0.8
429.16974	0.5
431.18558	5.8
432.18527	0.5
433.20313	2.0
435.17780	14.4
436.18442	1.4
437.19705	1.7
443.18533	1.1
447.18033	2.0
449.19571	5.1
450.19974	0.5
451.21350	0.7
453.19061	18.5
454.19510	1.1
459.18045	1.2
461.19641	2.1
463.21411	1.4
465.19116	3.4
467.20660	11.1
468.21280	0.6
471.20068	5.2
477.19067	5.8
479.20804	4.0
480.21912	0.7
481.22247	1.0
483.20169	1.4
489.19284	2.4
495.20135	6.7
497.21582	2.2
507.20093	6.9
508.20288	0.6
513.21216	4.2
525.21210	41.3
526.21448	4.5
543.22253	17.6
544.22778	1.2
561.23291	20.4
562.23511	2.1
578.25964	100.0
579.26270	10.1
608.89703	0.5
735.80463	0.4
954.16943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1138.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05492	5.6
81.07059	23.9
81.07525	1.5
83.89191	0.7
91.05487	6.0
93.07059	2.4
93.32049	0.7
95.04980	1.3
95.08606	1.6
95.99136	0.7
97.02908	1.4
97.06538	4.2
103.05570	0.9
105.07011	3.5
107.04940	1.4
109.06514	12.3
111.04461	1.9
111.08018	0.7
115.05439	1.7
117.07038	2.6
119.08593	1.7
121.06490	1.3
123.08092	1.0
128.06209	3.7
129.06981	3.9
130.07805	1.5
131.04927	1.8
131.08562	6.4
133.06526	2.2
133.10182	1.6
135.04332	0.8
135.08061	1.2
137.05980	37.9
138.06297	1.0
139.07603	0.9
141.06989	4.2
142.07779	1.7
143.08560	12.6
145.06505	2.0
145.10168	2.7
147.08076	1.9
149.05995	1.9
149.09613	1.0
151.07550	1.1
153.05435	1.6
153.07040	1.5
154.07785	2.3
155.08557	4.1
156.09377	1.3
157.06496	1.7
157.10091	3.8
159.08051	8.0
159.11714	2.4
160.08798	0.8
161.06013	1.0
161.09631	4.7
163.07552	1.3
165.05470	0.9
165.06996	1.1
166.07826	1.4
167.07115	1.0
167.08574	1.7
168.09334	2.0
169.06531	1.0
169.10204	4.0
171.08098	2.3
171.11711	3.6
173.09660	3.1
175.07591	1.0
175.11186	0.7
178.81937	0.7
179.08553	1.6
181.08812	0.8
181.10054	3.8
183.08060	1.2
183.11734	1.6
184.08882	1.4
185.09604	3.8
186.10471	0.8
187.07626	2.2
187.11176	7.1
188.11955	1.3
189.09169	2.9
189.12761	2.3
193.10121	1.4
195.08064	1.4
195.11620	1.6
197.09657	2.7
197.13275	0.9
199.07547	1.9
199.11165	3.5
201.09157	1.2
201.12755	3.8
201.14426	0.7
203.10712	1.3
205.08623	1.9
207.11765	1.1
209.09666	2.9
209.13335	1.2
211.11195	1.6
213.09073	1.4
217.08554	1.6
221.13287	1.6
223.11203	1.8
225.12692	1.4
227.10652	6.0
232.08873	0.8
233.13434	1.8
235.11295	2.2
236.11894	0.8
237.09134	1.5
237.12820	2.2
239.10716	1.3
239.14340	1.6
241.12242	0.9
245.11758	4.0
247.11223	2.4
249.12839	2.5
251.14371	1.8
252.11496	0.9
253.12367	1.5
255.10434	0.8
255.13817	1.5
259.11166	0.9
261.12805	2.7
263.10724	1.2
265.12271	3.0
267.13843	2.4
268.14377	0.8
269.15363	1.4
277.12299	1.6
278.13004	1.1
279.13873	2.2
280.14548	0.9
283.13489	0.8
295.13315	1.7
297.14978	1.7
305.11841	1.1
307.13608	1.1
313.14459	1.0
325.14499	1.2
341.14545	1.1
359.15076	2.4
377.21283	0.9
387.19815	1.1
401.17523	0.9
403.19037	1.8
405.20874	2.4
415.19022	4.1
417.20847	1.0
421.20056	7.4
422.20328	0.9
423.16882	0.9
423.21857	2.9
431.18890	2.0
433.20197	8.3
435.21786	2.1
443.18521	2.4
445.19495	1.3
449.19547	5.4
451.21112	12.2
452.21472	1.9
461.19528	8.2
463.21347	2.0
467.20621	6.0
469.22192	13.7
471.18039	3.1
479.20490	4.9
481.21838	3.3
489.19159	5.3
497.21759	12.4
498.21973	1.3
499.23355	2.5
500.67322	0.8
507.19934	6.0
525.21210	34.3
526.21533	3.1
543.22266	12.5
544.22961	1.0
561.23285	24.1
562.23547	3.4
578.25952	100.0
579.26306	9.6
896.27087	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1143.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
79.59493	0.1
80.97899	0.1
96.99023	0.3
97.99813	0.4
98.23399	0.2
123.04264	0.1
141.88557	0.1
160.05017	0.4
177.12808	0.1
191.06886	0.2
197.09534	0.2
199.11008	0.3
201.08774	0.2
204.07599	0.3
215.10432	0.2
227.10521	0.4
229.08452	0.3
229.15871	0.2
231.10001	0.2
237.07394	0.2
243.09979	0.3
253.15643	4.3
254.16347	0.4
255.09846	0.1
257.11545	0.1
257.15210	0.1
269.11563	0.2
271.09567	0.2
273.10974	3.5
281.15271	0.2
282.16040	0.1
290.11276	0.5
291.12030	0.1
297.14511	0.6
298.15411	0.5
299.16373	0.2
301.10489	0.7
301.13626	0.1
302.11276	0.1
311.12421	0.1
313.14093	1.1
315.15552	0.5
317.09958	0.2
319.11563	0.2
325.14099	0.6
326.14932	0.2
328.16425	0.6
329.13571	0.2
343.15121	2.3
344.15677	0.2
345.09470	0.4
345.16684	0.2
355.15271	0.3
363.10538	0.7
371.14813	0.4
390.16489	0.2
403.13672	0.3
417.15247	2.4
418.15967	0.5
419.16809	0.3
450.14795	0.4
463.20914	0.4
481.21716	0.5
491.20267	1.3
493.18536	0.4
509.21457	9.2
510.22040	0.8
511.23785	0.1
521.21533	1.0
522.22272	0.2
537.20929	3.1
538.21289	0.4
539.22650	0.4
555.21942	1.6
556.22607	0.1
565.20306	0.3
583.21454	100.0
584.21808	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1143.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07059	0.4
91.05478	0.2
97.02670	0.2
137.05988	0.5
147.08022	0.1
161.09608	0.2
167.07019	0.2
173.09677	0.4
187.11157	0.2
227.10493	0.2
229.12093	0.2
231.09987	0.1
237.07382	0.3
245.07881	0.2
259.09460	0.4
263.08948	0.2
265.25287	0.1
269.15088	1.5
271.13245	0.1
272.10126	0.1
273.10974	12.9
274.11508	0.5
275.08954	0.6
283.13181	0.2
285.37369	0.2
286.11829	0.2
290.11194	1.6
291.12051	0.4
297.14746	0.3
299.12592	0.2
301.10425	2.5
301.13916	0.2
303.08356	0.2
313.14090	3.9
314.14474	0.2
315.15714	0.2
317.10062	0.2
319.08054	0.2
319.11609	0.4
322.10196	1.2
327.15686	0.4
328.16394	0.9
329.13605	0.2
331.15253	0.6
332.12247	0.6
341.13766	0.3
345.16794	1.0
347.10947	0.2
359.14505	1.1
360.15186	0.2
361.12640	0.3
363.10529	1.8
372.15903	0.2
373.16180	0.6
390.16409	0.6
401.15677	0.2
403.13641	0.2
407.18713	0.2
408.18799	0.2
417.15207	3.4
418.15710	0.9
419.16690	0.5
450.15039	0.4
453.23590	0.2
463.20895	0.2
525.21405	0.3
526.21613	0.2
537.20789	0.2
547.25073	0.3
548.26483	0.2
555.22009	1.3
561.22986	0.2
564.23260	0.2
565.20459	0.3
578.26135	0.8
579.26086	0.7
582.29291	0.2
583.21448	100.0
584.21759	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1146.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05765	1.1
95.04973	1.9
95.71882	1.2
97.94146	1.1
105.03387	23.0
129.90784	1.2
140.24561	1.2
179.08562	1.3
182.07257	3.7
188.08421	1.6
197.09590	2.8
203.10561	1.8
209.06139	1.2
210.06787	4.9
222.06699	1.2
224.08270	1.2
225.09132	17.3
235.07605	1.6
238.06335	6.5
239.06747	1.2
240.04109	1.2
240.07788	2.4
251.06995	1.5
252.07765	3.5
253.08603	21.6
254.05794	1.6
254.09103	1.2
255.06570	1.6
255.10011	1.7
263.07056	1.1
266.05756	1.8
268.07291	1.5
270.08804	2.0
277.08340	1.2
278.09335	2.2
280.07169	1.5
281.08096	43.2
282.08441	3.6
283.09586	4.0
285.11179	3.5
293.11563	2.7
296.06833	2.4
298.08350	2.2
311.09100	29.2
312.09796	3.4
313.10620	8.6
315.08609	4.7
321.11298	2.4
323.12964	1.5
328.09277	2.8
336.10028	1.6
338.11374	1.6
343.11771	100.0
344.12280	7.9
351.12204	5.9
352.13126	1.6
383.14868	20.7
447.14023	4.6
505.17981	2.1
644.95947	1.5
804.98444	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1146.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
85.09709	0.6
93.32572	0.6
103.40589	0.6
120.56484	0.6
132.42027	0.5
151.22917	0.6
152.06218	0.7
181.06534	1.1
197.99542	0.7
205.06392	0.7
205.10103	0.7
207.08136	0.8
209.05788	0.7
210.06854	0.9
211.07419	1.0
219.07993	1.0
220.08894	0.8
221.09660	1.4
222.06781	1.6
223.07635	1.0
224.08261	0.9
225.05399	0.9
225.09161	0.9
227.07120	0.9
234.06911	0.7
235.07558	0.8
235.11169	1.3
236.04732	0.6
236.08362	1.0
237.05473	1.9
237.09122	2.2
238.06236	1.0
239.06947	1.2
239.10716	1.0
241.04848	0.7
241.08603	1.2
242.05748	1.0
247.07596	0.9
248.08377	1.0
249.09253	1.4
250.06306	2.5
250.09975	1.4
251.07019	1.5
251.10698	1.3
252.07735	2.3
252.11505	0.9
253.08540	1.7
253.12347	1.3
254.05783	0.9
254.09291	0.7
255.06522	0.8
256.07349	1.2
257.04150	0.8
257.08011	1.1
262.09760	0.7
263.07169	0.9
263.10681	2.4
264.11313	1.0
265.08627	6.7
265.11975	1.2
266.05914	1.2
266.09357	1.8
266.13080	1.0
267.06546	3.3
267.10107	2.8
267.13474	0.9
268.07440	1.0
269.04291	1.0
269.11792	1.3
271.09619	1.4
277.08606	2.2
277.12234	0.7
279.06537	1.1
279.10199	2.8
280.07343	1.7
280.10910	1.8
281.08060	2.6
281.11667	5.6
282.08743	1.3
283.09497	0.8
284.06787	6.1
285.07565	10.3
287.08994	0.9
291.06818	1.0
291.10214	2.0
292.10852	1.1
293.08063	7.9
293.11804	2.4
294.08780	2.5
294.12341	1.7
295.09665	6.1
295.13251	4.2
296.06815	0.9
296.10248	0.8
296.13837	1.8
297.07751	1.3
297.11212	4.4
298.08472	0.9
298.11703	1.1
299.09195	5.8
300.09909	3.8
306.08752	1.0
306.12292	1.1
307.09552	1.9
308.10391	3.0
309.07663	1.2
309.11075	8.1
309.14462	0.9
310.08234	1.7
310.11832	2.6
311.09116	1.5
312.09833	1.1
312.13556	1.8
313.10745	1.6
314.11484	6.4
315.08646	1.9
317.10229	1.3
318.10898	0.7
322.11966	2.6
323.09143	1.3
323.12680	8.0
324.13528	3.3
325.10654	8.6
325.14365	4.1
326.11276	3.0
327.08661	1.8
327.12262	1.8
327.15677	3.3
328.09467	1.0
329.10242	1.4
340.13086	9.1
341.10068	1.1
341.13782	17.2
342.10867	4.6
342.14236	0.8
355.11630	17.1
355.15451	27.7
356.16150	60.6
357.13028	9.8
357.16690	2.7
359.11264	0.9
359.18484	2.4
381.13174	1.4
387.17996	100.0
388.18369	7.4
399.14349	5.7
509.21509	1.4
926.89929	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0393
Annotation	CHEBI:87123
Peak:m/z	Relative Intensity
53.03937	0.6
55.01874	3.5
55.05509	1.5
55.93510	0.7
56.05027	1.3
57.03431	1.9
57.07095	0.8
57.93561	1.4
59.04998	100.0
60.04531	0.6
60.05336	2.1
65.03961	0.6
69.03428	20.8
69.07065	5.9
69.12042	2.1
69.12466	2.5
70.02919	0.5
70.06588	12.4
70.07400	0.9
70.99583	0.7
71.01343	1.3
71.04978	1.6
72.93793	2.1
73.02898	1.2
73.06539	0.8
73.93822	1.6
74.02444	0.5
74.93826	9.8
80.05840	0.8
84.04530	0.5
84.17541	0.5
85.02901	1.5
87.04465	84.9
88.04785	2.2
88.07642	1.3
90.86926	0.5
90.94820	0.7
91.94888	0.6
92.94865	4.3
93.88920	0.5
97.02880	3.5
97.06531	2.4
98.00642	1.0
98.06049	0.8
98.22627	0.9
100.99324	0.6
115.03924	24.9
115.05455	14.6
115.07600	0.6
115.09492	2.6
115.96413	1.3
116.01678	9.0
116.05809	0.9
116.07085	2.1
116.10727	0.8
121.01633	0.6
121.03458	0.5
121.13988	0.5
133.03505	0.7
133.97466	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0756
Annotation	2-Hydroxycyclohexan-1-one
Peak:m/z	Relative Intensity
55.01880	0.3
55.05514	8.2
59.01389	0.3
59.05001	100.0
60.05342	2.0
69.03434	0.9
69.07068	1.1
70.06587	1.5
70.42640	0.3
71.10674	0.4
73.06555	5.0
74.93828	0.6
83.04965	0.8
87.08112	1.0
89.03940	0.3
97.02873	0.3
97.06528	0.3
115.05448	3.3
115.07563	13.4
115.09472	0.4
116.07128	0.3
116.07913	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1150.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02921	2.4
97.02891	0.8
139.07626	1.1
167.07115	1.3
178.11237	1.0
187.07472	1.0
210.06863	1.2
211.07608	3.9
225.09079	2.6
227.07072	1.6
228.07846	1.6
229.05014	1.7
238.06305	1.3
239.07074	3.0
240.07591	1.0
241.04895	1.0
243.06461	1.2
248.08154	1.0
249.09132	1.8
252.77837	1.0
253.08557	4.4
255.06511	2.5
256.07346	2.7
257.08121	1.5
262.09866	1.8
263.10675	3.3
265.08624	3.9
267.06589	6.0
269.04428	1.0
269.11816	1.2
270.08701	1.7
271.06226	1.8
271.09653	2.8
277.08560	1.6
279.10120	1.9
280.10983	2.7
281.08102	4.6
281.11447	1.9
282.08768	1.1
283.06094	1.1
284.06836	3.1
285.07532	4.4
285.10883	1.9
287.09293	1.8
289.07159	1.8
291.10199	1.3
292.10886	2.0
293.08063	2.4
293.11200	1.1
293.74109	1.0
295.10117	1.2
295.13217	7.9
296.13745	1.9
297.11111	2.3
298.08401	2.9
299.09146	8.8
299.12323	1.2
302.07700	1.7
303.08524	4.3
304.09387	7.4
308.10443	2.9
309.11182	6.4
311.09186	1.2
312.13544	2.7
313.10797	8.2
314.11356	1.6
315.08710	1.2
316.09497	2.4
317.10229	4.5
318.10910	6.6
319.11700	2.3
323.12799	16.0
324.13480	4.6
325.10767	2.9
327.12338	1.7
327.15979	3.6
331.11703	6.4
332.12280	1.5
339.12311	1.3
340.13043	3.0
341.13779	3.2
345.13315	5.4
355.15390	27.3
356.16135	11.1
357.13406	1.9
372.15747	4.1
387.18011	100.0
388.18289	6.8
397.30234	1.0
531.87964	1.2
549.23267	51.6
550.23798	4.7
583.21576	1.4
584.21948	2.4
635.40411	1.0
686.71948	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03424	4.5
83.04955	1.5
85.02895	1.6
89.03908	11.4
91.05484	2.5
93.03401	4.0
95.04955	3.2
103.05446	2.8
105.03423	2.4
107.04971	9.3
109.02868	3.5
111.00789	11.6
111.04442	20.2
115.05448	3.9
117.03371	4.2
119.04948	3.0
121.02856	4.1
123.04420	96.9
124.04770	2.5
127.03911	60.8
129.07004	1.9
129.82100	1.1
131.04922	6.6
133.28906	1.3
135.04410	100.0
136.04706	2.0
137.02335	8.0
139.03891	57.7
140.04202	2.0
141.06987	2.4
143.04903	2.6
145.02808	1.6
145.06511	3.4
147.04408	12.5
149.02333	10.7
149.05986	2.3
150.03151	1.9
151.03893	21.9
153.05475	1.9
153.07028	1.6
155.04910	4.9
157.06464	2.0
159.04428	5.9
161.02345	2.2
161.05969	6.2
163.03894	86.4
164.04279	3.6
164.65996	1.2
165.01796	1.3
165.05501	3.9
167.03432	4.4
169.05060	2.5
169.06482	3.4
171.04399	1.6
173.02425	1.4
173.05978	9.2
175.03886	5.5
177.05435	10.0
179.03394	15.9
181.04922	2.7
181.06335	2.2
183.04446	3.7
185.05930	1.7
187.03844	10.2
189.01749	2.8
189.05423	5.8
191.03362	13.6
193.04956	3.1
197.06036	5.9
201.05469	16.3
203.03386	19.7
203.07106	1.5
204.03751	1.2
205.04938	4.1
207.02907	2.8
209.06026	1.5
211.03879	1.2
213.05434	6.7
215.03374	5.4
215.07036	4.6
217.04936	3.9
219.06508	2.4
221.04398	1.5
223.02359	6.5
225.05472	4.0
227.03288	1.9
227.06969	2.6
229.04938	18.2
231.02916	1.3
231.06500	6.3
233.04414	3.6
239.07039	1.3
241.04871	6.5
243.06508	5.3
245.04448	84.5
246.04793	2.5
247.06001	75.4
248.06358	2.5
253.04942	7.1
255.03035	1.3
255.06396	5.9
257.04446	25.5
258.05203	4.5
259.06027	13.3
261.07657	7.4
263.05447	2.2
265.04913	1.8
267.06412	2.7
269.04422	12.1
269.07272	1.6
269.07825	1.3
270.05066	1.6
271.05988	40.6
271.08948	2.2
273.04001	1.3
273.07596	2.2
274.04675	3.1
275.05469	19.9
277.04880	1.4
281.04468	3.6
282.05197	1.4
283.05969	14.9
285.04013	3.7
285.07507	1.5
287.05450	28.2
288.05618	1.5
289.07037	43.7
291.08612	7.8
293.04510	2.1
293.07831	1.5
295.05991	7.7
297.04041	7.1
299.05447	9.6
301.07104	13.3
303.08542	1.8
307.05865	1.4
309.03983	2.4
309.07471	1.7
311.05508	4.4
313.07129	4.5
317.07986	2.1
321.03854	1.8
321.07510	1.8
323.05475	4.9
327.05304	1.8
331.08063	4.8
333.07526	2.3
335.05429	2.2
337.03323	1.6
337.07056	2.8
345.07602	1.6
351.04861	3.7
361.07211	3.5
363.04929	3.5
363.08823	2.8
365.06522	4.1
373.07083	1.7
377.06418	4.0
379.08041	9.8
381.05847	2.2
381.10040	1.6
383.07394	3.8
389.06543	5.1
391.08118	6.4
393.05887	9.5
395.07629	3.0
397.09167	7.6
401.06729	2.5
403.08075	1.8
405.05884	3.7
405.10367	1.9
407.07620	34.5
409.09158	32.9
410.09494	1.6
411.10806	4.3
417.06015	2.0
419.07617	7.3
420.08194	1.3
421.09106	6.0
423.10916	2.2
425.08685	17.7
427.10196	10.2
431.07553	3.4
433.09369	6.8
437.08618	12.6
439.10086	2.2
449.08728	7.4
451.10300	10.0
467.09879	2.4
485.10046	1.4
515.09772	2.3
517.11096	4.9
527.09601	4.2
531.12415	1.5
535.11877	4.3
541.11005	3.5
543.09015	5.0
545.10706	2.8
555.08954	1.7
557.10931	1.7
559.12323	6.2
569.10193	4.8
570.10138	1.4
571.11993	2.2
577.13885	6.8
579.15112	7.1
677.13135	7.3
679.14612	1.7
695.13989	7.9
697.15576	6.8
715.16016	1.8
723.91821	1.3
811.14917	1.2
815.15143	1.7
833.15857	2.0
859.17847	1.6
889.55963	1.4
985.21466	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03407	4.6
83.04980	1.2
89.03899	5.5
91.05488	2.2
93.03416	2.1
95.04968	4.0
98.22694	1.2
103.05492	2.2
105.03389	1.8
107.04959	6.9
109.02888	5.3
111.00809	10.0
111.04441	10.2
115.05438	2.4
117.03367	3.3
119.04924	1.6
121.02901	3.4
123.04434	77.0
124.04808	1.5
127.03924	79.3
128.04297	1.5
131.04939	4.9
135.04420	75.4
136.04749	1.4
137.02348	4.7
137.05977	2.5
139.03908	44.5
141.06943	1.8
143.04955	1.5
145.02824	1.3
145.06467	2.2
147.04420	9.4
149.02354	8.4
149.05951	2.3
151.03905	15.8
153.01836	1.0
155.04926	3.6
159.04417	5.5
161.02287	1.9
161.06020	5.4
163.03908	65.4
164.04401	1.1
165.01830	2.0
165.05496	5.2
167.03392	4.0
167.04703	1.0
169.04997	1.8
169.06503	2.7
171.04402	1.2
173.05994	6.8
175.03978	5.4
176.04631	1.3
177.05487	10.5
179.03416	13.4
181.06456	1.4
183.04436	2.7
185.05959	2.1
187.03871	10.0
189.05501	4.6
191.03372	14.6
193.04929	2.5
197.06006	5.5
201.05484	12.3
203.01630	1.6
203.03401	20.8
203.07094	2.3
205.05026	3.5
207.06526	2.2
213.05479	4.3
215.03490	5.4
215.07034	4.1
217.04959	4.2
219.06529	1.5
223.02257	2.0
225.05478	3.9
227.03389	1.9
227.06989	1.4
229.04985	19.0
230.05453	2.0
231.06570	2.6
233.04428	6.1
237.05495	1.7
241.04997	5.0
243.06502	5.8
245.04457	100.0
246.04797	5.1
247.06018	63.8
248.06409	2.1
253.04938	3.9
255.06573	3.6
257.04449	18.9
258.05286	4.6
259.06030	12.5
261.07574	3.7
263.05408	2.6
265.04944	1.5
269.04440	6.2
271.06021	36.0
273.04034	1.1
274.04675	5.5
275.05496	27.5
279.06723	1.1
281.04480	4.3
283.06033	10.0
285.04062	2.9
286.04773	1.5
287.05502	34.6
289.07068	35.8
291.08670	13.4
295.06021	3.8
297.03885	5.5
297.07034	1.3
299.05429	7.6
301.07074	12.5
301.49600	1.0
303.05222	1.7
303.08597	1.6
309.04172	2.2
311.05515	3.2
313.07068	2.7
316.11160	1.1
321.07556	2.3
323.05521	4.5
337.07010	1.8
351.04852	2.3
361.07181	4.8
363.08673	2.5
365.06433	3.0
367.08173	1.6
373.07285	2.2
377.06534	2.3
379.08328	7.3
383.07797	2.7
389.06656	6.4
391.08099	4.9
393.06174	3.0
395.07571	2.8
397.09128	10.6
401.06448	2.1
405.05807	1.9
407.07626	32.8
408.07672	1.1
409.09164	36.8
410.09250	2.5
411.10764	3.3
419.07712	8.2
420.85812	1.1
421.08923	3.3
425.08707	14.3
427.10217	12.7
431.07538	2.4
433.09286	2.5
435.10782	1.3
437.08713	11.0
439.10010	2.4
449.08377	6.1
451.10208	7.1
517.11078	3.7
527.09729	1.7
535.12201	4.6
541.11102	4.2
543.09253	1.1
545.10577	3.8
559.12103	3.6
571.12274	1.8
577.13116	4.6
579.15192	8.9
595.30298	1.2
679.14038	2.4
695.13440	2.4
697.15027	3.5
715.17096	1.2
818.62927	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
107.66323	0.2
137.29675	0.2
185.04224	0.4
203.06009	0.2
300.12607	0.2
313.13943	0.2
380.12415	0.2
381.13181	0.4
395.15244	0.2
397.12759	0.2
409.16473	0.5
411.14108	3.4
412.15012	1.0
413.16348	0.3
426.16721	0.7
427.17291	4.8
525.16559	0.3
543.18396	3.3
557.19910	0.4
571.21136	0.7
574.20038	0.5
589.22522	100.0
590.22882	8.0
826.58728	0.2
1067.21777	0.2
1154.83240	1.2
1155.82434	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1156.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
87.72430	10.1
99.04456	24.7
105.03377	100.0
176.86072	9.8
207.10188	21.9
251.03410	14.1
266.05643	12.6
280.07159	13.8
292.07278	11.1
293.08112	18.4
294.05258	10.4
297.07660	45.8
298.07593	10.3
305.08359	9.2
307.06110	13.4
308.07233	10.2
309.11191	11.9
311.05508	16.0
322.08167	19.3
323.09286	65.7
324.09781	16.8
325.10742	17.1
326.07968	15.8
339.08618	16.3
353.10242	48.0
355.11743	48.2
369.13263	21.0
379.11572	13.1
397.12872	72.4
398.12967	16.7
477.15402	11.8
527.39838	11.3
760.24310	9.8
906.52283	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1157.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
96.99010	0.3
97.99749	0.3
112.05328	0.3
128.95663	0.2
207.53572	0.3
221.07890	0.4
227.10536	0.5
235.15048	0.3
241.03116	0.3
253.15656	4.9
254.16020	0.4
273.10922	2.1
289.10480	0.5
290.11172	0.6
297.14645	0.6
298.15375	0.4
301.10419	0.8
313.14243	0.6
315.15768	0.8
317.09729	0.3
325.14191	0.9
326.14676	0.5
328.16455	0.4
343.15115	3.2
344.15732	0.4
345.09506	0.6
345.16592	0.4
359.14450	0.4
363.10474	0.4
373.16312	0.5
401.15833	0.5
417.15149	1.8
418.15689	0.5
481.21997	0.5
491.20370	1.3
493.18323	0.4
509.21335	4.6
510.21490	0.5
521.21320	0.9
537.20819	2.8
539.22394	1.1
555.21948	0.8
565.20569	1.1
583.21448	100.0
584.21814	9.3
597.23260	5.7
598.23431	0.5
742.26117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1157.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
96.99010	0.3
97.99749	0.3
112.05328	0.3
128.95663	0.2
207.53572	0.3
221.07890	0.4
227.10536	0.5
235.15048	0.3
241.03116	0.3
253.15656	4.9
254.16020	0.4
273.10922	2.1
289.10480	0.5
290.11172	0.6
297.14645	0.6
298.15375	0.4
301.10419	0.8
313.14243	0.6
315.15768	0.8
317.09729	0.3
325.14191	0.9
326.14676	0.5
328.16455	0.4
343.15115	3.2
344.15732	0.4
345.09506	0.6
345.16592	0.4
359.14450	0.4
363.10474	0.4
373.16312	0.5
401.15833	0.5
417.15149	1.8
418.15689	0.5
481.21997	0.5
491.20370	1.3
493.18323	0.4
509.21335	4.6
510.21490	0.5
521.21320	0.9
537.20819	2.8
539.22394	1.1
555.21948	0.8
565.20569	1.1
583.21448	100.0
584.21814	9.3
597.23260	5.7
598.23431	0.5
742.26117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1159.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
111.11098	0.3
119.73885	0.3
122.70040	0.3
157.60872	0.3
210.86670	0.4
213.08002	0.4
289.08380	0.5
329.11490	0.4
426.96085	0.4
433.12860	0.5
461.16675	0.4
466.12524	0.4
501.96753	0.4
525.18677	1.3
526.19055	0.4
530.31079	0.4
571.19940	0.4
581.16541	0.4
583.21490	1.0
584.22540	0.5
599.18848	100.0
600.19165	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1159.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
89.67470	0.2
214.25658	0.2
289.08365	1.4
317.07742	0.4
329.11578	1.4
344.13943	0.3
379.08112	0.4
433.12570	0.7
466.12625	0.3
533.39154	0.2
571.18921	0.4
599.18848	100.0
600.19189	10.6
858.92950	0.3
1058.45532	0.2
1173.85596	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1174.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03402	3.6
92.10063	1.9
105.03378	3.0
107.04950	4.6
111.04421	5.3
119.04942	2.5
121.02842	2.7
123.04414	54.9
127.03909	100.0
128.04233	3.7
135.04416	28.7
137.02361	4.5
139.03897	63.2
140.04256	2.8
147.04431	10.9
149.02335	4.4
149.06018	2.9
151.03932	14.3
159.04417	4.5
161.05992	4.4
163.03894	43.1
164.04254	2.8
165.05490	6.6
167.03377	7.1
173.05997	3.0
175.03926	3.4
177.05438	3.5
179.03362	4.8
187.04010	4.8
191.03357	13.1
193.04953	3.3
197.05962	3.8
201.05461	6.8
203.03352	9.8
205.04964	3.5
215.07155	2.7
221.77197	2.1
229.04892	15.8
231.06660	3.1
233.04453	9.2
243.06482	5.6
245.04347	10.9
247.06004	28.6
251.05367	3.7
257.04419	20.0
259.05997	11.9
269.04446	3.5
271.05920	24.4
275.05551	14.8
283.06036	9.0
287.05469	28.9
289.07050	38.1
291.08618	40.4
299.05402	6.6
301.07037	15.4
303.08594	3.1
382.25143	2.2
409.09070	35.8
410.09238	3.3
411.10675	3.7
413.02060	2.0
427.10226	40.4
428.10498	3.6
439.10104	5.5
453.11636	5.0
579.14917	29.9
580.14514	3.6
751.55780	2.5
1201.55688	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1178.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04993	6.5
98.22792	2.4
98.23473	0.9
175.24803	0.4
182.12817	0.4
189.07039	0.6
209.09636	0.5
231.08032	0.8
232.08865	0.6
233.05879	0.5
233.09697	0.5
235.07544	0.5
244.46800	0.5
247.07585	1.1
248.08293	2.8
249.09081	1.3
253.54283	0.5
260.08331	1.1
261.05402	0.6
261.09033	1.2
263.07056	1.6
263.10635	2.6
264.07678	0.8
265.08621	1.1
275.07031	1.8
275.10229	0.5
276.07855	2.0
277.08624	3.2
278.09235	1.1
279.10162	2.5
287.42953	0.7
288.07935	0.6
289.05438	0.4
289.08597	1.7
290.09308	1.9
291.06522	1.9
291.10135	4.4
292.07544	1.1
292.10889	1.5
293.08044	1.9
293.81268	0.5
303.10101	0.9
304.07364	1.8
305.07922	3.0
306.08801	3.2
307.09616	1.8
308.10376	1.6
316.07361	1.0
317.08035	0.8
318.08862	1.9
319.05966	1.9
319.09634	3.6
320.06665	2.2
320.10446	1.6
321.07553	1.3
321.11206	2.8
323.12656	0.9
331.09558	1.2
334.08316	7.4
335.09125	18.8
336.09695	2.1
349.10712	9.4
350.11465	20.2
351.08493	1.1
351.12146	4.8
352.12488	0.6
366.10989	1.9
381.13312	100.0
382.13629	6.8
481.18402	1.5
1178.54272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	3.7
51.02378	10.6
51.75761	0.8
53.03947	83.3
54.04275	2.6
55.01874	5.2
65.03934	5.8
70.32211	3.0
73.37186	0.8
77.03520	1.4
77.03933	16.9
79.05503	5.7
81.03413	7.7
91.05479	77.7
93.07047	4.1
95.04967	90.4
96.05300	1.9
103.05469	9.1
104.06243	9.1
105.04516	45.0
106.04848	1.8
109.06512	0.8
115.05448	4.6
116.05794	2.8
117.07016	20.5
118.06541	100.0
119.04955	1.9
119.06858	4.9
119.08575	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	3.7
51.02381	11.6
53.03949	90.0
54.04276	3.5
55.01868	6.0
64.18017	0.9
69.06504	7.0
69.06918	1.9
74.74006	1.1
77.03925	15.3
81.03418	9.9
91.05484	7.0
95.04968	96.6
96.05296	3.2
98.23454	1.8
105.04517	43.0
106.04820	1.9
117.07032	2.2
118.06544	100.0
119.06875	6.3
119.08564	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01590	2.7
51.02384	8.0
53.03948	86.6
55.01855	3.9
56.87714	1.3
59.07375	1.2
63.63967	1.6
69.01649	12.0
77.03925	18.9
77.50335	1.1
81.03425	8.5
89.17603	1.2
91.05478	16.5
92.18940	1.3
95.04968	84.6
96.05288	2.4
98.23339	3.2
104.06236	1.7
105.04514	37.8
115.14137	1.5
117.07001	2.3
118.06538	100.0
119.06885	4.0
119.08585	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02383	10.6
53.03949	88.1
54.04261	2.5
55.01864	5.2
58.06608	1.8
58.17518	1.4
62.06792	1.6
65.03926	5.4
69.05112	4.0
69.05519	12.6
77.03927	14.6
79.05475	2.9
81.03429	7.5
90.04710	2.7
91.05479	59.0
93.07031	1.9
95.04970	97.4
96.05311	4.2
98.22618	2.4
103.05461	3.7
104.06252	5.4
105.04516	46.0
115.05459	3.7
115.33997	1.7
117.07027	14.3
118.06545	100.0
119.04961	4.3
119.06112	3.0
119.06884	7.0
119.08574	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	3H-Indole
Peak:m/z	Relative Intensity
50.01603	2.2
51.02379	8.9
53.03948	71.2
54.04277	1.8
55.01871	3.9
65.03939	8.0
77.03932	12.8
78.04724	1.5
79.05502	3.9
81.03415	6.1
87.40604	0.9
91.05482	100.0
92.05788	1.1
93.07037	3.4
95.04971	74.8
96.05310	2.3
103.05447	6.4
104.06248	6.6
105.04516	36.1
106.04874	1.1
115.05450	3.2
116.05747	1.4
117.07032	16.7
118.06548	73.5
118.07250	2.8
119.04941	12.2
119.06842	5.1
119.08580	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	3.2
51.02383	13.3
53.03948	87.8
53.08375	1.7
53.99669	1.4
54.04275	2.7
55.01867	5.2
58.06598	3.3
59.07382	3.5
59.46521	1.4
65.03947	1.6
67.01424	1.3
69.17808	5.0
69.18235	6.7
72.75662	1.3
77.03926	16.3
79.05479	3.4
79.19326	1.5
81.03407	9.5
91.05480	56.1
93.07024	4.1
95.04969	100.0
96.05297	3.5
99.41492	1.3
103.05475	8.9
104.06248	7.3
105.04521	50.8
106.04852	1.9
115.05454	2.7
117.07023	14.1
118.06542	99.8
118.08627	10.9
119.06099	4.0
119.06884	5.3
119.08578	57.6
137.68735	1.3
138.09103	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
50.01591	3.0
51.02390	10.7
53.03953	87.1
53.62539	1.6
54.04268	1.8
55.01872	4.5
55.07241	1.7
58.06591	5.2
59.07374	1.8
64.62859	1.6
65.03926	2.7
69.09252	11.8
69.09656	5.1
73.22002	1.9
75.62727	1.9
76.92877	1.7
77.03928	13.0
81.03408	8.4
91.05489	42.3
93.07025	3.3
95.04974	100.0
96.05305	3.6
103.05473	3.9
104.06241	3.6
105.04528	48.7
115.05444	2.3
117.07027	12.9
118.06552	96.9
118.08675	8.2
119.06910	6.6
119.08594	32.9
122.15102	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02381	13.4
52.69052	2.6
53.03947	90.6
55.01866	5.7
58.06589	7.3
58.51847	2.5
58.64601	2.3
65.03945	3.1
69.37774	11.2
77.03914	12.5
79.05516	6.3
81.03417	9.2
91.05479	64.9
93.07046	3.4
95.04964	91.2
96.05289	3.3
98.23331	3.2
102.74942	2.2
103.05466	8.5
104.06248	11.0
105.04511	46.2
115.05458	3.5
117.07024	22.4
118.06541	100.0
118.07217	3.5
118.08641	11.8
119.06089	3.5
119.06878	6.2
119.08572	57.3
123.26323	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01593	5.0
50.47956	2.6
51.02373	10.4
53.03949	96.1
55.01864	3.1
58.06598	18.0
59.07368	11.4
64.73071	3.8
69.16860	8.4
69.17273	14.3
72.08166	4.1
77.03920	12.8
79.05487	5.6
81.03410	9.3
91.05482	78.6
93.07063	5.4
95.04361	4.8
95.04967	100.0
96.05293	4.8
103.05462	9.8
104.06258	6.9
104.80952	3.0
105.04527	46.2
115.05460	3.5
117.07018	24.4
118.06553	92.7
118.08652	25.6
119.06079	7.0
119.06844	4.8
119.08572	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01596	3.5
51.02383	11.8
52.16947	1.1
53.03947	83.9
54.04270	3.4
55.01871	5.0
57.31305	1.0
60.41706	1.0
62.24096	1.0
65.03924	2.0
68.99763	1.5
69.02248	2.3
69.02650	8.1
76.93349	1.4
77.03934	16.4
78.04244	1.0
79.05490	2.5
81.03417	7.9
81.60793	1.2
91.05481	44.7
93.07025	1.7
95.04967	92.5
96.05282	2.9
98.23309	2.1
103.05459	3.6
104.06258	4.0
105.04516	43.2
106.04849	2.6
115.05448	2.2
116.05804	1.7
117.07031	12.6
118.06541	100.0
118.08662	2.9
119.04935	1.2
119.06129	2.2
119.06855	5.1
119.08582	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01594	2.9
51.02194	1.0
51.02382	11.6
53.03946	91.9
54.04270	3.9
55.01862	4.1
57.26701	1.0
58.06593	2.9
59.07364	1.2
66.48282	1.0
69.13142	9.0
72.83232	1.0
77.03927	15.9
81.03413	8.6
84.87190	1.0
91.05473	8.0
95.04967	94.3
96.05296	3.8
98.22534	1.6
102.79728	1.1
104.06227	1.1
105.04512	47.8
106.04849	1.6
108.78559	1.0
110.36175	0.9
115.05461	1.1
117.07025	2.7
118.06540	100.0
118.08658	2.9
119.06141	2.3
119.06877	5.4
119.08588	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	2.2
51.02381	9.8
51.91043	1.5
53.03949	90.2
54.04271	3.1
55.01863	4.6
58.06603	3.8
59.07388	5.2
70.25350	5.2
76.92841	2.4
77.03930	15.8
81.03403	10.4
83.97592	1.5
86.46120	1.5
86.76489	1.5
88.30210	1.5
91.05481	19.1
93.07065	1.8
95.04972	97.1
96.05322	3.4
103.05495	1.8
104.06272	1.9
105.04518	47.4
106.04791	1.4
115.05463	1.5
117.07029	5.1
118.06548	100.0
118.08608	7.2
119.06071	3.0
119.06860	3.9
119.08588	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0866
Annotation	Betaine
Peak:m/z	Relative Intensity
53.03948	0.2
55.05503	0.7
58.06601	42.2
59.07383	39.3
60.07708	0.8
69.26425	1.6
69.53504	0.2
72.08163	3.6
91.05475	0.8
95.04951	0.4
105.04532	0.3
110.46861	0.2
111.39955	0.2
111.92252	0.2
118.08654	100.0
119.01929	0.2
119.08282	0.4
119.09009	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1182.527
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04980	10.4
98.22701	0.5
102.65524	0.4
145.06488	0.4
152.06213	0.6
153.06895	0.4
159.07990	0.8
162.38676	0.4
165.07010	2.3
167.08612	0.6
173.85289	0.4
178.07977	0.5
179.08507	0.7
181.06468	0.7
182.07272	3.5
188.08357	1.5
194.07213	0.5
195.08051	0.8
196.08936	0.6
197.09590	4.2
203.10672	4.0
207.07951	0.7
210.06776	7.1
211.07506	0.5
222.06723	1.2
223.07521	1.0
223.32411	0.4
224.08298	0.8
225.05722	0.8
225.09102	17.8
226.06329	0.9
226.09518	0.9
227.07057	1.3
231.10161	0.9
235.07455	1.4
237.05667	0.6
238.06201	4.8
239.06895	0.7
240.07756	2.2
241.08572	0.5
242.05862	0.6
242.09387	1.8
249.09105	0.6
250.09804	0.6
251.07103	1.3
252.07793	2.2
253.05048	0.8
253.05595	0.7
253.08588	19.2
254.05714	1.4
254.08997	1.4
255.06300	1.0
255.10207	1.2
257.04211	0.6
257.11325	0.4
263.07129	0.4
263.10840	0.4
265.05042	0.6
265.12036	0.7
266.05731	2.4
267.06540	1.0
267.10071	0.8
268.07263	2.8
269.07922	0.4
270.08847	2.4
277.08664	0.8
278.09375	1.9
279.10135	1.1
280.07327	1.3
281.08069	41.3
282.08484	2.9
283.06479	0.9
283.09653	2.8
285.03912	1.3
285.08139	0.4
285.11020	2.5
291.09988	0.8
293.08380	0.8
293.11746	3.2
296.06836	1.1
297.07568	1.7
298.08307	2.4
299.05557	0.6
300.06363	2.0
300.47177	0.5
301.07144	1.0
307.09647	0.8
308.10361	1.2
311.09125	19.4
312.09659	3.4
313.07117	1.6
313.10666	7.8
315.08588	7.5
317.06580	1.6
319.09695	1.1
321.07599	0.9
321.11099	1.6
323.12906	1.0
325.14413	0.7
328.09369	2.8
336.09937	1.2
337.10703	1.0
343.11752	100.0
344.12070	5.2
351.12283	4.5
352.12949	1.7
353.13861	1.2
365.44971	0.4
373.13525	0.4
383.14868	21.9
384.15201	1.8
400.11493	1.2
425.15872	7.7
463.41183	0.4
483.20334	3.3
523.28210	0.4
629.48352	0.5
685.33936	0.4
778.74988	0.4
882.43256	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1184.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04974	38.9
99.04435	22.1
115.29885	8.8
127.03883	15.6
131.04962	9.2
207.10175	20.4
224.04767	8.3
251.03461	15.0
279.06503	11.0
293.08051	15.0
294.05286	17.3
294.08743	9.6
297.07520	62.2
311.05548	9.9
322.08453	14.8
323.09137	89.8
323.12744	13.9
324.09601	14.5
326.07861	10.7
337.10617	12.9
348.09940	9.3
353.10080	33.5
355.11673	53.8
356.22818	9.1
357.09366	12.9
367.11731	14.1
369.13324	28.9
397.12811	100.0
401.19504	28.9
455.16980	11.6
531.22980	9.7
560.46552	10.2
656.49744	11.3
701.82013	8.3
709.99341	9.7
1113.88098	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
61.21499	3.8
67.05505	3.5
69.73185	6.4
80.17023	3.6
82.99801	4.0
91.05485	32.0
96.22634	3.6
101.00880	27.7
119.01122	7.2
119.01927	100.0
120.02017	8.5
120.05593	6.0
120.08081	3.7
126.51898	3.4
137.02957	42.8
138.03172	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40639	4.3
54.61258	4.1
56.96730	4.2
62.05139	3.9
67.05496	10.8
70.25346	18.5
85.01416	5.8
91.05486	7.0
93.07069	4.4
95.65358	4.5
99.40279	4.5
101.00876	33.0
103.02435	11.1
107.05257	9.2
116.05768	6.1
119.01920	100.0
119.52008	4.3
120.02036	8.1
121.03471	7.1
137.02971	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63631	4.6
56.05043	5.2
65.03935	15.9
67.02994	5.0
69.59571	26.2
74.06075	8.9
87.00810	6.2
91.05483	93.4
92.02486	13.4
93.16434	4.7
101.00882	43.5
119.01112	9.6
119.01918	100.0
119.03543	53.8
119.04946	18.5
120.08099	4.9
124.92680	5.2
137.02946	31.6
138.03035	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.7
53.03940	1.9
65.03938	14.0
66.04272	0.4
70.32995	1.1
77.80628	0.4
78.04705	0.7
79.05493	3.6
83.14521	0.4
91.05479	100.0
92.05808	3.9
93.07041	3.0
95.04975	1.8
96.05320	1.7
102.43427	0.4
103.05462	6.5
104.05627	0.4
104.06265	5.7
105.04517	1.2
106.04854	0.5
109.06477	0.7
109.29476	0.4
111.04346	0.4
115.05462	2.0
117.07011	13.7
118.04181	0.4
118.07370	0.4
119.04948	16.9
119.05925	0.8
119.06126	0.9
119.06826	1.3
119.08578	37.6
120.04473	0.6
120.05505	0.8
120.08103	1.1
120.08935	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50169	0.3
51.02380	0.6
53.00307	0.3
53.03948	1.1
53.65895	0.3
55.01928	0.3
65.03942	19.1
66.04257	0.5
71.30299	0.4
77.03948	0.3
78.04705	0.3
79.05492	2.0
82.10740	0.3
84.76620	0.3
86.17094	0.3
91.05482	100.0
92.05814	3.9
93.07045	2.0
95.04969	1.3
96.05307	0.5
103.05460	3.9
104.06251	3.6
105.04517	0.7
115.05449	2.1
117.06201	0.6
117.07023	10.0
118.07320	0.7
119.04944	22.6
119.08581	22.0
120.05268	1.4
120.08151	0.4
120.08925	1.7
123.63130	0.3
129.04482	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.30036	0.3
53.03941	1.6
54.04275	0.4
65.03941	16.5
66.04269	0.5
66.59962	0.3
71.28978	0.5
75.02361	0.3
77.03947	0.3
78.04707	0.7
79.05492	2.2
83.14621	0.2
91.05480	100.0
92.05811	4.3
93.07040	2.6
95.04970	1.6
96.05293	0.6
103.05466	4.9
104.06255	4.4
105.04501	0.7
106.04844	0.3
109.06520	0.7
111.04420	0.3
115.05472	2.4
117.07015	10.2
118.07330	0.5
119.04945	21.7
119.06821	0.9
119.08578	29.8
120.05344	1.1
120.08900	1.8
121.06602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
65.03938	20.9
69.31049	2.4
69.31473	1.7
75.02388	0.6
91.05479	100.0
92.05797	4.5
116.40772	0.7
119.04942	31.4
119.08589	1.1
119.79905	0.5
120.05298	2.3
121.03991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03947	1.1
55.05513	0.6
63.71296	0.4
65.03944	19.6
66.04285	0.8
67.85720	0.4
69.25799	3.0
79.05493	1.8
91.05483	100.0
92.04990	0.9
92.05252	0.6
92.05818	5.1
93.07046	1.5
95.04975	1.2
98.22630	0.8
103.05474	3.4
104.06261	2.8
107.57681	0.4
115.05415	1.0
117.07030	6.0
118.07311	0.6
119.04950	25.3
119.06857	1.2
119.08579	16.4
120.04507	0.8
120.05344	1.5
120.08101	2.2
120.08930	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26715	0.6
65.03942	22.5
65.04290	1.1
66.90660	0.5
70.28532	1.0
72.85741	0.6
78.43573	0.7
91.05484	100.0
92.04996	1.8
92.05823	4.1
95.04972	1.0
99.62475	0.6
119.04943	29.0
119.08569	1.5
120.04459	1.6
120.05296	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
50.01585	0.3
51.02383	0.9
53.03948	1.9
54.04287	0.5
59.42891	0.3
65.03945	16.1
66.04286	0.2
66.13116	0.3
71.29980	0.4
77.03936	0.4
78.04714	0.8
79.05492	3.5
91.05486	100.0
92.04995	0.3
92.05191	0.3
92.05820	4.5
92.06363	0.5
93.07047	2.6
95.04984	2.1
96.05300	0.6
103.05470	5.9
104.06259	6.2
105.04533	1.0
106.04861	0.3
109.06508	0.3
115.05464	2.7
117.07028	11.6
118.07356	0.6
119.04951	17.7
119.06828	1.2
119.08584	36.3
120.04496	0.3
120.05312	1.1
120.08139	0.9
120.08917	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03946	4.0
54.93737	0.9
63.92886	0.6
65.03938	5.1
67.02310	0.5
69.01266	7.0
78.04710	1.8
79.05494	8.0
79.35467	0.7
81.27803	0.7
85.10293	0.6
91.05482	93.3
92.05816	4.7
93.07043	5.6
95.04968	3.8
96.05363	0.7
97.35443	0.6
98.22762	2.6
102.09207	0.7
103.05470	11.0
104.06255	15.4
105.04513	1.7
105.06581	0.7
114.28182	0.7
115.05464	6.2
117.07016	23.7
118.07322	0.7
119.06094	1.8
119.08579	100.0
120.08141	1.3
120.08919	5.6
131.06038	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.22430	0.8
53.03943	3.5
65.03947	4.8
70.89677	0.7
70.90016	0.8
72.84657	0.6
77.03917	0.8
78.04719	1.6
79.05495	9.3
91.05479	100.0
92.05815	5.1
93.07051	7.4
95.04951	4.4
96.05290	0.8
102.09180	2.6
103.05463	14.7
104.06257	14.2
104.33184	0.8
105.04530	2.0
105.06531	0.8
107.24228	0.7
115.05457	5.9
116.72865	0.8
117.07014	31.1
118.07323	2.0
119.06080	2.9
119.08577	79.9
120.05589	1.3
120.08087	1.2
120.08894	6.9
120.10268	0.9
131.06085	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.2
65.03943	7.6
67.05516	0.7
69.26363	3.5
69.26693	0.9
74.00616	0.4
77.03928	0.9
78.04716	1.2
79.05496	6.2
80.05872	0.7
91.05483	100.0
92.05812	5.6
93.07051	5.8
95.04964	2.7
96.05280	0.6
101.79051	0.5
103.05472	12.8
104.05629	0.7
104.06264	10.3
105.04500	1.3
109.06530	0.7
115.05462	4.9
117.07024	29.6
118.07348	1.8
119.04960	5.2
119.08582	61.1
120.08170	0.7
120.08922	4.4
121.06494	0.6
131.06024	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
54.04274	1.0
65.03937	4.0
66.26299	0.7
71.30142	0.9
73.20164	0.5
74.19017	0.5
75.20959	0.7
77.03943	0.8
78.04707	1.7
79.05496	8.8
85.30283	0.7
86.27710	0.6
91.05480	100.0
91.62408	0.6
92.05814	5.2
93.07044	5.7
95.04975	4.1
96.05344	0.8
103.05461	12.0
104.06255	13.3
105.04513	1.4
109.06570	0.8
115.05459	6.3
117.07014	24.8
117.07844	1.3
118.07353	1.3
119.06075	1.7
119.08579	82.7
120.04385	1.0
120.05627	3.1
120.08092	1.6
120.08919	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02374	1.0
53.03950	3.4
54.04282	0.8
65.03946	3.7
67.05490	0.7
69.09174	3.2
69.09578	1.4
71.26392	0.5
78.04714	1.2
79.05495	8.5
80.05861	0.5
91.05482	100.0
92.05814	5.1
93.07042	5.3
95.04954	3.8
96.05320	1.1
102.04686	0.9
103.05471	12.2
104.06261	14.5
105.04537	1.6
105.06582	1.0
109.06499	0.9
115.05463	6.2
117.07026	24.4
118.07359	1.7
119.06084	2.2
119.08583	92.3
120.05611	1.6
120.08090	1.7
120.08924	6.4
125.03927	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
53.03563	0.3
53.03947	3.0
55.01879	0.4
58.07359	0.3
65.03938	10.1
66.04259	0.5
68.59441	0.3
68.63344	0.4
70.33775	0.5
70.34101	0.6
78.04707	1.2
79.05485	6.8
80.05783	0.4
82.49347	0.3
91.05476	100.0
92.05013	2.1
92.05812	4.2
93.07044	5.2
95.04967	3.1
96.05279	0.6
102.04651	0.5
103.05460	11.3
104.06254	10.6
105.04501	1.4
105.06548	0.6
109.06532	0.9
115.05447	4.9
116.47662	0.4
117.07011	20.9
118.07368	1.1
119.04948	7.0
119.08574	68.8
120.04436	1.2
120.05345	0.5
120.08082	1.3
120.08920	5.3
121.06506	0.5
125.37830	0.4
138.02684	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.01603	0.5
51.02376	0.6
53.03948	3.3
63.02361	0.4
65.03939	4.4
69.40360	1.6
69.40768	0.8
70.43971	0.4
77.03915	0.7
78.04710	1.6
79.05495	8.4
91.05480	100.0
92.05814	5.2
93.07042	6.8
95.04967	3.7
102.04671	0.6
103.05467	15.1
104.06266	13.5
104.06967	0.6
105.04523	1.6
105.06532	0.6
109.06517	1.1
115.05463	9.2
115.40281	0.4
115.46289	0.4
117.07018	39.9
118.07360	2.4
119.06093	1.3
119.08580	78.4
120.08903	5.3
121.06522	0.9
131.06068	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02381	0.8
51.07236	0.4
53.03953	5.0
54.04279	1.4
57.55986	0.4
59.50351	0.4
65.03941	5.6
72.99361	0.5
77.03931	1.3
78.04707	1.4
79.05495	8.5
83.60510	0.5
88.90006	0.4
90.09545	0.4
91.05483	100.0
92.05813	5.3
93.07050	6.1
95.04975	3.5
96.05309	1.6
102.04704	1.0
103.05470	13.1
104.05611	0.8
104.06259	14.8
105.04535	2.5
105.07024	1.6
106.04853	0.8
109.06527	1.0
115.05461	7.6
117.07024	24.6
118.07320	2.1
119.06870	2.5
119.08582	92.5
120.08121	0.9
120.08920	6.4
121.06570	0.6
131.05995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02378	0.9
51.52456	0.5
53.03951	3.4
54.04289	0.7
60.40139	0.5
65.03941	5.9
65.99221	0.5
69.33538	1.0
69.33953	3.1
77.03944	0.6
78.04705	1.6
79.05493	7.7
91.05479	100.0
92.04989	1.0
92.05818	4.2
93.07039	6.0
95.04962	4.0
96.05289	0.6
103.05466	13.9
103.89304	0.5
104.06249	11.5
105.04497	1.3
106.04858	0.6
109.06491	0.6
115.05447	6.0
117.07015	24.5
118.07332	1.1
119.03593	0.5
119.04961	3.0
119.08578	78.3
120.04485	1.0
120.05593	0.6
120.08092	2.5
120.08919	5.1
121.06565	0.7
127.46552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02372	0.7
53.03948	2.9
53.29179	0.3
54.04290	0.4
60.15668	0.3
65.03942	8.4
67.05501	0.3
69.86220	1.3
77.03922	0.7
78.04708	1.3
79.05494	6.2
80.05775	0.4
91.05482	100.0
92.05815	5.2
93.07044	5.2
95.04966	2.5
96.05313	0.5
102.04699	0.6
103.05468	13.0
104.05614	0.7
104.06255	11.7
105.04536	1.1
105.07077	0.4
105.90945	0.4
109.06518	1.0
115.05447	6.4
117.07021	33.6
118.07333	2.2
119.04951	6.1
119.08580	65.0
120.05339	0.5
120.08907	4.4
121.06514	0.5
131.06015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0447
Annotation	4-Hydroxybenzonitrile
Peak:m/z	Relative Intensity
51.02370	0.3
52.01906	0.2
53.03940	1.2
55.01870	0.3
55.05518	0.5
64.98617	0.2
65.03941	48.3
66.03480	0.3
66.04271	1.9
67.05495	0.2
69.44498	1.4
74.06081	0.3
77.03940	0.4
79.05492	2.9
80.05820	0.2
81.79136	0.2
91.05483	4.6
91.06010	0.4
92.05004	100.0
93.04744	0.2
93.05326	4.1
93.07042	5.0
95.04965	1.9
98.23412	0.3
103.05475	3.1
105.04508	0.7
105.07026	4.2
106.07795	0.4
110.06044	3.7
118.07339	0.3
118.13322	0.2
119.08548	0.5
120.04467	45.4
120.08100	1.6
120.08930	0.6
121.02871	0.9
121.03982	0.5
121.04803	2.6
121.06514	2.7
121.10143	2.3
123.08080	0.4
133.07631	0.4
138.35983	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.6
53.03947	5.9
57.31364	0.4
70.60961	0.4
70.61295	0.9
77.03931	1.8
79.05495	1.2
80.05014	0.9
81.03418	0.6
91.05482	16.2
92.04983	0.5
92.05814	1.0
92.97074	0.4
93.05802	0.6
93.07044	18.7
94.06559	0.5
94.07355	0.9
95.04974	6.1
102.04683	1.0
103.05466	100.0
104.05803	5.2
105.04517	2.1
118.06551	2.1
119.07318	1.2
120.08103	92.7
121.06515	4.3
121.08437	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.4
55.01865	3.5
55.05504	2.2
65.03941	86.1
66.04275	3.0
67.05482	1.5
68.58085	0.9
77.03915	1.2
79.05495	18.5
80.05805	1.1
91.05483	16.0
93.03407	11.5
93.07040	20.8
94.06581	1.2
95.04974	7.8
98.03671	2.6
103.05484	9.4
104.05803	1.8
105.04519	3.4
105.07030	35.3
106.06580	1.4
106.07274	1.0
106.07886	1.3
107.06603	1.3
107.07336	24.1
111.04447	9.5
119.08580	2.8
121.02871	100.0
121.03979	25.7
121.06486	8.7
121.10129	12.3
122.03225	5.3
122.06033	3.8
122.09666	28.6
123.08083	2.0
133.07626	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01592	0.9
51.02380	2.9
53.03950	24.4
54.04286	0.9
55.01878	3.0
65.03934	3.0
68.04964	0.4
69.25418	2.3
69.25818	0.7
71.62986	0.4
76.55904	0.4
77.03927	6.1
79.05512	2.2
81.03431	2.6
91.05484	56.2
92.05816	2.9
93.07047	44.0
94.04179	0.5
94.07383	1.8
95.04971	31.0
96.05316	1.1
98.23444	0.5
99.84321	0.4
99.88438	0.5
102.04700	1.5
103.05471	100.0
104.05804	6.3
105.04512	14.5
105.07030	1.9
106.04831	0.5
107.07342	1.6
121.02891	1.7
121.06509	59.3
121.10164	1.2
122.06078	0.7
122.06842	3.3
122.09658	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	p-Tolualdehyde
Peak:m/z	Relative Intensity
50.01594	1.1
51.02375	3.1
53.03946	29.3
54.04293	1.1
55.01871	2.8
65.03938	3.0
67.05517	0.7
69.26396	3.2
77.03516	0.8
77.03929	7.6
78.04723	2.1
79.05483	2.6
81.03436	3.0
91.05479	76.6
92.05810	3.7
93.07040	36.3
94.07375	1.9
95.04967	33.2
95.05446	0.5
96.05305	1.3
96.37883	0.5
97.83116	0.5
98.22670	0.6
103.05468	8.8
105.04515	15.5
105.06983	2.4
106.04216	0.5
106.04883	0.5
107.07343	0.8
111.53841	0.5
121.06501	100.0
122.06034	0.8
122.06831	5.5
122.09650	1.4
131.94760	0.4
134.25580	0.4
135.13513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02375	2.9
53.03946	32.2
54.04256	0.8
55.01878	4.0
65.03943	4.1
70.47633	1.9
75.28436	0.8
77.03915	6.8
78.04719	0.9
79.05495	2.5
80.22165	0.7
81.03410	3.6
91.05477	74.7
92.05827	2.6
93.07042	60.6
94.07378	3.0
95.04965	32.0
96.05311	1.2
102.04680	2.2
103.05467	100.0
104.05800	5.1
105.04516	14.1
105.06996	2.5
107.07340	3.6
111.83408	0.8
121.02853	2.5
121.06506	86.1
121.99743	0.8
122.06051	1.3
122.06851	5.3
122.09670	3.8
131.19771	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0652
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01598	1.1
50.34986	0.4
51.02385	3.1
53.03953	28.8
54.04295	1.0
55.01873	2.9
65.03947	1.4
67.32511	0.5
68.99808	0.5
71.17425	0.6
77.03931	7.8
78.04712	0.7
79.05517	1.0
81.03403	3.3
83.77721	0.4
91.05490	75.0
92.05833	3.4
93.07053	57.4
94.04200	0.4
94.07377	2.6
95.04977	33.3
96.05321	1.2
96.28315	0.4
102.04700	2.7
103.05477	100.0
104.05814	5.2
105.04526	15.3
105.05215	0.8
106.94846	0.4
111.24778	0.4
119.04959	0.6
121.06517	88.0
122.06853	5.1
132.74556	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02350	0.7
52.55281	0.7
53.03948	9.5
55.05509	3.3
65.03947	1.1
67.05502	1.7
69.23221	3.5
69.23650	2.3
75.53445	0.8
77.03958	1.8
79.05495	46.3
80.05825	1.7
81.03436	1.2
81.04549	0.9
81.07054	2.2
84.87124	0.7
91.05482	25.4
91.41878	0.7
92.05803	1.6
93.07043	41.9
94.07367	2.9
95.04966	9.8
103.05470	20.8
104.05794	1.7
105.04539	5.9
105.07032	100.0
106.07305	3.4
106.07825	6.2
107.07365	1.4
119.08581	14.4
121.06544	1.6
121.10146	45.2
122.09681	4.8
122.10506	2.9
123.08070	7.9
124.08415	1.0
133.07623	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02385	1.1
53.03947	15.7
55.01855	1.0
55.05511	14.0
63.27759	0.7
65.03934	2.7
67.05509	3.6
69.41153	2.6
69.41572	2.7
73.40826	0.7
77.03931	3.6
79.05492	67.0
80.05830	2.0
80.06270	1.8
81.03415	1.4
81.07050	4.2
82.02571	0.7
91.05481	42.2
92.05805	2.1
93.07041	77.4
94.07365	4.1
95.04964	15.9
103.05466	22.5
104.05788	2.3
105.04517	7.4
105.07029	100.0
106.06749	0.8
106.07237	1.7
106.07909	7.1
107.04963	1.9
107.07346	11.3
107.08053	1.6
119.08577	11.3
121.02889	2.3
121.04032	1.1
121.06525	8.8
121.10141	44.0
122.09664	10.9
122.10463	2.1
123.08077	7.6
133.07610	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02378	1.1
53.03949	11.3
55.05510	3.8
65.03933	1.6
67.05505	1.6
69.13768	2.1
69.14191	4.2
77.03929	3.1
79.05495	42.2
80.05839	2.3
80.16924	0.7
81.03432	1.5
81.07049	3.5
91.05481	28.6
92.05797	0.8
93.07044	45.7
94.07390	2.5
95.04967	10.3
96.05308	0.7
103.05467	22.1
104.05744	0.9
105.04545	5.9
105.07030	100.0
106.07287	2.9
106.07816	6.4
107.07347	2.4
107.08062	0.9
119.08582	16.0
120.05722	0.8
121.06547	4.6
121.10144	48.4
122.09658	2.5
122.10494	3.3
123.08076	7.4
133.07608	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01587	1.1
51.02372	2.7
53.03951	25.1
53.98239	0.7
54.04281	1.6
55.01874	2.4
55.05522	4.5
65.03933	10.1
67.05523	3.6
71.29710	0.9
77.03934	5.2
78.04707	0.9
79.05497	61.1
80.05003	0.9
80.05827	1.6
81.03425	2.6
81.07050	2.8
83.05476	0.8
91.05486	66.1
92.05805	2.9
93.03383	1.1
93.07048	81.5
94.04205	1.8
94.06637	0.7
94.07372	5.1
95.04360	1.4
95.04972	29.2
96.05320	1.7
102.04729	1.4
103.05474	67.1
104.05795	3.3
105.04530	14.6
105.07033	100.0
106.06689	1.4
106.07328	3.7
106.07839	4.8
107.04933	0.9
107.07344	17.4
107.08028	0.6
111.04469	1.2
119.08582	12.9
120.08968	0.8
121.02879	6.7
121.04000	2.0
121.06513	55.9
121.10146	47.5
122.06022	1.8
122.06876	3.4
122.09682	19.4
122.10500	3.4
123.08078	8.3
124.08431	0.8
128.31209	0.7
133.07611	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02382	1.3
53.03950	16.2
55.05511	7.9
65.03934	1.3
67.05511	2.3
67.82116	0.9
69.12158	3.8
69.12581	3.5
77.03934	1.6
79.05493	36.4
80.05817	1.4
80.06263	1.4
81.03410	1.3
81.07054	5.3
91.05479	48.8
92.05804	1.9
93.07043	100.0
94.07383	6.5
95.04964	15.3
98.22628	1.8
103.05476	9.2
105.04529	8.1
105.07028	36.3
106.07831	4.1
107.07361	2.0
119.08566	6.9
121.06499	6.5
121.10143	21.1
122.05988	1.5
122.09679	3.8
122.10488	1.8
123.08108	2.6
133.07620	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.9
53.03946	15.6
55.01867	1.0
55.05513	5.0
65.03935	2.8
69.04427	7.6
75.47056	0.8
77.03919	2.0
79.05494	51.2
80.05823	1.9
80.06279	1.4
81.07040	1.5
91.05481	34.4
92.05812	1.6
93.07043	56.2
94.07390	3.0
95.04972	15.0
103.05464	21.3
105.04516	7.5
105.07031	100.0
106.06689	1.3
106.07301	2.7
106.07942	5.2
107.07350	7.6
107.08057	1.4
107.38478	0.7
119.08585	15.3
121.02884	1.8
121.06492	5.7
121.10143	41.6
122.05995	1.3
122.09657	7.0
122.10515	3.2
123.08080	7.8
133.07611	8.0
134.07968	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02386	1.1
53.03712	1.1
53.03945	13.2
55.05509	8.2
65.03937	0.8
67.05503	1.8
69.50351	2.8
69.50757	1.2
77.03917	3.0
79.05489	35.7
80.05817	1.4
80.06262	1.4
81.07063	4.9
85.27240	0.6
91.05479	45.2
92.05816	1.7
93.07041	100.0
94.07379	3.9
95.04964	12.5
96.05309	0.7
103.05454	6.8
105.04510	6.4
105.07024	28.9
106.07233	1.1
106.07938	3.1
119.08584	4.8
121.06511	1.6
121.09286	1.4
121.10144	20.0
122.09674	0.8
123.08073	2.3
133.07605	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02382	0.9
53.03945	11.8
55.05511	8.1
65.03940	1.4
67.05497	1.7
69.05691	4.4
70.24431	0.5
77.03934	2.1
79.05492	31.5
80.05025	0.8
80.05839	1.2
80.06264	1.1
81.03418	1.3
81.07059	5.4
88.04202	0.5
91.05480	44.1
92.05804	2.9
93.07042	100.0
94.07375	5.5
94.29893	0.6
95.04971	12.9
96.05318	0.5
103.05470	7.8
105.04517	5.3
105.07027	30.4
106.07925	2.8
107.07333	1.2
118.06593	0.5
119.08578	4.9
120.08896	0.6
121.02859	0.6
121.06474	1.2
121.10141	20.8
122.06030	1.2
122.09634	2.9
122.10501	1.4
123.08042	1.8
133.07605	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.4
53.03950	12.3
54.04276	0.7
55.01875	1.0
55.05512	7.4
65.03938	1.3
67.05502	1.6
70.18879	0.8
70.19234	1.7
70.61561	0.6
75.66537	0.7
77.03938	2.6
79.05493	36.1
80.05838	1.3
80.06262	1.0
81.02883	0.6
81.03416	1.8
81.07059	5.9
91.05483	44.1
92.05819	2.3
92.09480	0.6
92.12177	0.6
93.07044	100.0
94.07372	4.7
95.04971	14.6
103.05472	8.9
104.05789	0.6
105.04531	6.9
105.07031	33.3
106.07906	3.2
107.07320	1.5
117.99930	0.6
119.08587	5.5
121.02849	0.9
121.06506	2.5
121.10139	21.7
122.06017	1.8
122.09669	3.9
122.10460	1.3
123.08049	1.9
133.07622	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02375	2.1
51.93097	1.0
53.03946	15.7
55.01858	1.5
55.05510	4.8
65.03951	6.7
66.04711	1.5
67.05487	3.7
71.33389	1.2
71.45371	0.8
72.15164	0.9
77.03917	3.0
78.04694	1.2
79.05492	55.8
80.05836	1.3
81.03386	1.1
81.07043	2.5
91.05477	39.2
92.05819	1.3
93.03397	1.5
93.07037	60.8
94.04194	1.8
94.07392	1.6
95.04971	14.7
96.05256	1.2
101.78266	1.0
103.05465	20.3
104.05834	1.2
105.04534	7.3
105.07027	100.0
106.06690	1.8
106.07308	4.3
106.07822	5.3
107.04959	1.0
107.07336	11.8
112.06950	1.2
119.08576	14.1
121.02868	4.7
121.03951	1.9
121.06514	15.9
121.10136	51.0
122.09672	12.6
122.10456	1.7
123.08063	6.9
133.07611	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01596	1.3
51.02381	5.5
53.03716	0.5
53.03950	7.9
55.01867	1.3
61.92274	0.4
65.03937	1.2
67.05505	8.7
69.74263	1.7
75.73663	0.4
77.03933	14.1
78.41396	0.4
79.05482	0.9
80.05011	1.1
81.03419	1.4
81.07060	2.0
95.04973	11.3
96.04458	0.7
98.22679	0.8
101.00870	2.2
105.03394	15.9
105.04470	3.6
106.03703	1.1
106.07354	0.7
119.01931	7.8
123.04431	100.0
124.03938	1.7
124.04784	5.4
137.02953	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01595	1.2
51.02379	6.7
53.03947	9.9
55.01867	1.9
57.07053	0.5
60.49542	0.4
65.03932	1.3
67.05500	11.1
68.05828	0.6
69.49540	2.3
70.43540	0.4
77.03928	17.2
78.04241	0.5
79.05490	1.7
80.05003	0.6
81.03404	1.4
81.07059	8.8
89.62540	0.4
95.04964	12.1
95.08599	2.2
95.94944	0.4
96.04449	0.5
96.05315	0.4
96.08002	0.4
101.00895	1.4
105.03392	15.7
105.04479	4.9
106.03715	1.0
106.07369	0.6
108.05729	0.7
112.03992	0.6
119.01919	5.4
123.04424	100.0
123.08046	1.9
123.11676	2.1
124.03951	1.0
124.04751	4.8
137.02946	2.3
143.56583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.01585	1.3
51.02156	0.4
51.02380	5.7
53.03947	7.2
55.01866	1.2
58.08855	0.2
62.84578	0.3
65.03927	0.8
67.05504	8.3
70.60474	0.6
70.60817	0.4
70.84011	0.2
77.03928	14.2
78.04242	0.7
79.05516	0.7
81.03403	0.8
81.06583	0.4
81.07053	5.6
95.04354	0.6
95.04965	10.8
95.08601	1.0
96.05313	0.4
100.64906	0.3
105.03395	14.4
105.04468	4.1
105.26179	0.3
106.03722	0.6
119.01941	0.4
123.04426	100.0
123.11707	1.2
124.04765	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0556
Annotation	Picolinamide
Peak:m/z	Relative Intensity
53.03939	0.9
53.18588	0.2
57.03435	0.7
57.27317	0.2
58.99873	0.7
60.00630	0.2
68.05029	0.6
69.03416	0.3
70.22659	0.7
70.99852	0.9
77.00907	0.4
78.03459	11.8
78.52969	0.3
79.03797	0.4
80.05019	37.6
81.03429	0.5
81.05353	1.0
82.01450	2.7
82.99839	2.8
83.01546	0.3
89.00872	0.4
95.04965	1.2
95.06102	0.4
96.04498	10.5
97.02839	0.3
100.02489	8.1
101.00886	33.8
105.04533	0.4
106.02918	16.6
107.03267	0.6
118.01142	0.8
118.03527	4.5
119.01924	100.0
121.02327	0.4
123.05555	79.5
124.02486	0.6
124.03956	9.3
124.05920	2.8
129.28049	0.3
131.01927	0.7
136.04532	1.1
137.02963	25.9
142.03510	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	2,4-Dimethylphenol
Peak:m/z	Relative Intensity
51.02367	0.8
53.03950	5.2
53.38774	0.8
55.01862	1.2
55.05515	14.4
57.03423	0.7
57.07079	5.7
57.70630	0.7
65.03951	3.3
67.05507	54.0
68.05849	1.9
69.03438	0.7
69.07077	3.3
71.29106	0.8
77.03940	1.3
78.38766	0.6
79.05495	25.0
79.61006	0.6
80.05025	2.4
80.05850	1.1
80.06279	1.2
81.03422	2.1
81.07058	100.0
82.07384	4.4
91.05478	2.2
93.07052	10.9
95.04968	8.2
95.08609	48.4
96.04491	1.5
96.08949	2.7
101.00896	2.5
103.05434	1.3
105.03380	0.8
105.04498	1.2
105.07035	4.5
107.04935	0.9
108.05722	5.9
108.07696	1.0
119.01919	8.4
121.06467	0.8
121.10161	1.3
123.04449	6.0
123.05410	3.2
123.08070	25.9
123.09967	1.8
123.11708	19.4
124.03952	3.3
124.08449	2.1
124.12070	0.9
137.02977	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.8
53.03950	5.2
53.38774	0.8
55.01862	1.2
55.05515	14.4
57.03423	0.7
57.07079	5.7
57.70630	0.7
65.03951	3.3
67.05507	54.0
68.05849	1.9
69.03438	0.7
69.07077	3.3
71.29106	0.8
77.03940	1.3
78.38766	0.6
79.05495	25.0
79.61006	0.6
80.05025	2.4
80.05850	1.1
80.06279	1.2
81.03422	2.1
81.07058	100.0
82.07384	4.4
91.05478	2.2
93.07052	10.9
95.04968	8.2
95.08609	48.4
96.04491	1.5
96.08949	2.7
101.00896	2.5
103.05434	1.3
105.03380	0.8
105.04498	1.2
105.07035	4.5
107.04935	0.9
108.05722	5.9
108.07696	1.0
119.01919	8.4
121.06467	0.8
121.10161	1.3
123.04449	6.0
123.05410	3.2
123.08070	25.9
123.09967	1.8
123.11708	19.4
124.03952	3.3
124.08449	2.1
124.12070	0.9
137.02977	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02384	1.1
53.03941	5.3
55.01848	1.2
55.05511	23.7
57.03429	1.6
57.07065	1.3
65.03948	4.7
67.05505	99.4
68.05829	3.1
69.07058	1.1
69.33775	5.2
79.05492	15.4
80.05014	3.5
80.05827	1.1
80.06284	2.4
80.12614	1.2
81.03417	8.2
81.07056	51.9
82.07380	2.3
83.05001	1.1
91.05467	6.1
91.63057	0.7
93.07043	19.9
95.04972	49.3
95.08607	64.2
96.04500	1.8
96.05283	2.3
96.08946	3.5
98.22549	1.0
101.00888	3.0
103.05530	0.8
105.04533	1.2
105.07030	4.8
106.07312	0.9
107.04946	2.3
108.05756	6.4
112.03968	0.8
119.01911	9.5
123.04423	2.4
123.05554	2.6
123.08067	100.0
123.11687	8.4
124.03935	4.8
124.08408	5.8
124.23484	0.8
126.61625	0.8
137.02954	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	2,4-Dimethylphenol
Peak:m/z	Relative Intensity
53.03944	5.9
55.01861	1.3
55.05511	23.7
56.05837	1.0
57.07073	5.9
62.98183	0.6
63.41366	0.7
65.03936	5.3
67.05503	86.1
68.05829	3.7
69.07059	2.4
71.10490	1.3
79.05490	22.9
80.05012	1.2
80.06281	2.4
81.03419	6.2
81.07054	100.0
82.07377	4.5
83.04981	0.7
86.82993	0.6
91.05475	4.5
93.07045	16.1
94.07333	0.9
94.07849	1.5
95.04965	35.0
95.08603	57.9
96.04471	1.1
96.05309	1.4
96.08936	3.1
101.00858	1.4
103.05481	0.8
105.07025	4.4
107.04962	2.2
108.05769	5.5
112.03950	1.1
119.01913	3.0
123.04468	1.3
123.05608	1.8
123.08066	82.2
123.11697	17.7
124.03954	2.2
124.08409	5.2
124.12022	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02383	0.9
51.64742	0.7
53.03942	5.4
55.01859	1.1
55.05511	27.1
57.07071	1.0
57.56480	0.8
65.03928	5.2
67.05507	100.0
68.05831	2.8
69.07085	1.3
69.12505	2.3
69.12920	4.6
77.03907	1.2
79.05494	12.8
80.05022	2.6
80.05830	1.4
80.06272	2.2
81.03419	8.2
81.07059	39.2
82.07404	2.0
91.05488	6.5
92.05815	1.0
93.07053	20.4
94.07356	1.4
95.04971	53.6
95.08607	64.0
96.04495	1.5
96.05270	1.5
96.08932	3.3
98.22498	1.5
101.00887	3.3
103.05450	1.5
105.04517	0.9
105.07037	3.7
105.87181	0.8
107.04939	2.4
108.05745	6.6
112.04020	0.9
119.01924	18.1
123.04452	2.7
123.05595	3.9
123.08070	97.9
123.11666	5.3
124.03947	3.5
124.08403	6.9
137.02943	3.3
140.03505	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65661	0.5
53.03946	2.6
55.05517	4.5
57.07072	4.6
59.33236	0.5
59.63219	0.4
65.03935	1.2
67.05506	16.0
68.05829	0.7
69.07071	4.2
79.05496	19.9
80.05008	3.9
80.05806	0.9
81.07058	100.0
82.07395	4.5
91.05447	0.7
93.07039	3.3
94.07820	1.2
95.04973	0.9
95.06081	0.6
95.08611	18.8
96.04515	2.7
96.05092	0.4
96.08907	0.6
97.02902	0.4
100.02499	0.5
101.00874	5.4
105.07017	0.7
108.05724	1.0
108.07609	0.5
108.09379	0.8
110.11047	0.4
112.00835	0.5
112.03966	1.7
112.40771	0.5
119.01923	27.7
121.10126	1.6
123.04623	0.7
123.05551	4.8
123.08053	4.0
123.09186	0.9
123.10054	0.8
123.11705	22.9
124.03956	6.3
124.12016	1.5
137.02953	12.1
142.03482	2.1
143.19579	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
51.53299	0.4
53.03945	2.4
53.89445	0.4
55.05516	5.2
57.07081	4.9
65.03943	1.3
67.05506	12.7
68.05817	0.5
69.07073	2.7
70.47956	0.7
70.48284	0.6
72.99123	0.4
75.59324	0.4
79.05493	17.3
80.05009	0.9
80.05810	0.4
81.07056	100.0
82.07390	4.3
93.07077	2.7
94.07846	0.8
95.04987	0.8
95.08605	13.6
96.04488	0.4
96.08924	0.6
101.00864	1.6
105.04515	0.6
105.07032	0.6
108.05704	0.9
108.09386	1.0
117.96432	0.4
119.01904	4.2
121.10149	1.6
123.04421	0.8
123.05545	1.3
123.08076	1.9
123.11709	22.3
124.03951	1.5
124.12038	1.8
137.02924	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
53.03941	2.4
55.05515	4.3
57.07077	5.0
63.20275	0.4
65.03924	0.7
65.84621	0.4
67.05505	13.2
69.07067	2.9
79.05490	17.9
80.05024	1.8
81.07053	100.0
82.07372	3.6
89.31891	0.4
93.07066	2.6
93.07562	0.5
94.07832	1.1
95.04944	0.7
95.08607	13.7
96.04478	0.6
96.08929	1.0
101.00883	1.3
105.07050	0.8
108.05762	0.6
108.09369	0.8
112.04028	0.6
119.01917	8.5
121.10123	1.2
123.04407	0.8
123.05548	1.9
123.08081	1.2
123.11707	21.0
124.03951	1.9
124.12022	1.0
134.73872	0.5
137.02980	2.2
142.03421	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11500	0.3
53.03943	2.1
55.05513	6.0
57.07073	5.7
58.46025	0.3
65.03944	1.1
67.05503	15.0
68.05035	0.4
68.05802	0.7
69.07066	3.2
70.71693	0.4
71.28809	0.4
79.05492	15.9
80.05014	2.8
80.05817	0.6
81.07055	100.0
82.07381	4.5
88.44104	0.4
91.05505	0.6
91.45452	0.4
93.07041	3.3
94.07807	0.7
95.04967	1.4
95.08603	16.3
96.04492	2.4
96.08940	1.0
100.02449	0.4
101.00871	4.3
105.04504	0.4
105.07018	1.2
107.05011	0.4
108.05737	1.8
108.09381	1.2
112.03992	0.9
119.01920	21.3
121.10123	1.4
123.04526	0.7
123.05541	4.2
123.08076	5.2
123.09142	0.8
123.11706	20.2
124.03967	5.4
124.07555	0.7
124.12064	1.3
137.02953	10.9
140.03442	0.8
142.03490	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
53.03946	2.1
54.79219	0.5
55.05513	5.0
56.05823	0.5
57.07075	4.5
60.55781	0.5
62.70118	0.6
65.03954	1.0
67.05507	12.1
69.07063	2.9
79.05491	16.4
80.05019	2.1
81.07056	100.0
82.07391	4.5
87.26331	0.5
93.07054	2.5
94.07839	1.0
95.04972	0.8
95.08611	14.3
95.16045	0.4
96.04511	1.2
96.08907	0.5
101.00866	2.7
105.07061	0.8
108.09435	0.5
112.03986	0.9
119.01920	15.6
119.46184	0.5
121.10162	1.3
123.05561	2.2
123.08054	1.9
123.09222	0.6
123.10162	0.7
123.11709	19.7
124.03949	3.5
124.12022	1.8
128.34828	0.5
137.02965	6.2
139.46255	0.5
140.03493	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
50.26098	0.4
51.02388	0.5
53.03952	2.9
55.05512	6.3
56.05844	0.4
57.07081	4.7
65.03938	1.2
65.95134	0.3
67.05510	19.8
69.07073	3.1
70.55443	0.3
70.66605	1.0
77.03934	1.7
79.05498	17.8
80.05021	0.9
80.05830	0.8
80.06276	0.5
81.07061	100.0
82.07396	4.1
85.37277	0.4
91.05489	1.0
93.07043	3.4
94.07839	1.2
94.19330	0.3
95.04977	3.0
95.08614	18.7
96.04489	0.5
96.08937	1.0
101.00896	0.9
105.03390	1.2
105.04523	0.8
105.07045	2.1
107.04959	1.5
108.05750	6.3
108.09387	1.0
109.02915	0.6
119.01945	3.9
120.03437	0.3
121.06522	1.0
121.10138	1.6
123.04432	9.2
123.05513	1.6
123.07169	0.8
123.08070	13.2
123.11713	21.2
124.03962	0.9
124.08456	0.6
124.12022	1.3
137.02975	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11411	0.3
51.02375	0.4
53.03941	2.6
53.96523	0.3
54.40537	0.3
55.01863	0.7
55.05511	6.3
57.07072	5.1
61.02023	0.3
65.03934	1.5
66.04710	0.4
67.05502	22.0
68.05824	0.5
69.07057	2.8
69.41953	0.3
71.30003	0.6
79.05490	19.8
80.05012	0.8
80.05827	1.1
80.06248	0.4
81.03448	0.3
81.07053	100.0
82.07375	4.1
89.04036	0.3
91.05481	1.5
93.07039	4.4
94.07833	1.1
95.04958	3.0
95.08604	24.6
96.04491	0.6
96.08945	1.1
101.00876	0.9
103.05494	0.8
105.03422	0.5
105.04522	0.6
105.07028	4.0
106.07375	0.3
107.04943	2.0
108.05733	15.2
108.09367	1.0
109.06059	0.7
119.01930	4.6
121.06498	2.3
121.10123	1.7
123.04512	1.8
123.05521	1.8
123.08064	22.9
123.11700	18.8
124.03950	1.8
124.07599	0.4
124.08395	1.3
124.12039	1.5
137.02963	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.8
51.02378	2.5
53.03946	5.5
55.01869	1.4
55.05512	5.3
57.07070	5.5
57.75723	0.5
65.03949	1.7
67.05504	18.7
68.05827	0.7
69.07064	2.2
70.75558	0.6
71.30580	0.8
77.03928	6.1
79.05491	19.6
80.05018	2.5
80.05808	0.9
81.07053	100.0
82.07383	5.3
86.03526	0.5
91.05538	0.5
93.07036	2.5
94.07824	1.4
95.04977	7.6
95.08606	15.3
96.04501	2.8
96.05267	0.5
100.02495	0.6
101.00877	4.8
105.03402	6.6
105.04506	2.1
105.07042	1.4
106.07336	0.6
108.05739	2.1
108.07680	1.4
108.09379	1.5
109.06039	0.6
111.58987	0.5
112.03968	1.7
119.01913	23.3
121.10143	1.2
123.04430	44.9
123.05508	3.7
123.08071	5.0
123.09017	0.8
123.10033	1.7
123.11707	21.4
124.03939	5.1
124.04778	2.0
124.07601	1.1
124.08458	0.6
124.12020	0.9
137.02946	8.7
140.03482	0.5
142.03531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
51.02391	0.7
53.03950	2.8
55.01872	1.3
55.05508	6.0
57.07076	5.6
61.14824	0.4
65.03938	1.7
65.86838	0.4
66.04704	0.5
67.05506	21.3
68.05833	0.9
69.07170	1.7
78.17937	0.4
79.05495	18.1
80.05021	2.0
80.05817	1.0
81.03429	0.6
81.07056	100.0
82.07384	4.3
91.05489	0.6
93.07050	3.8
94.07841	1.0
95.04975	4.2
95.08605	20.4
96.04478	1.9
96.08952	0.9
100.02506	0.6
101.00881	1.9
105.03361	0.6
105.04554	0.6
105.07011	2.2
106.07392	0.5
107.04968	0.5
108.05761	3.8
108.07703	0.9
108.09359	1.1
110.02688	0.4
112.03951	1.0
119.01918	9.9
121.06517	0.6
121.10166	1.1
123.04442	1.9
123.05560	2.8
123.08073	16.5
123.09997	0.8
123.11700	20.6
124.03951	3.3
124.07578	0.9
124.08420	1.1
124.12050	1.0
137.02934	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
53.03947	2.0
55.05516	5.4
57.07075	5.9
65.03942	1.4
67.05508	14.9
68.05843	0.5
69.07063	3.6
69.15793	3.9
75.61883	0.4
75.99310	0.4
76.34933	0.4
79.05494	20.1
80.05014	1.5
80.05824	0.8
81.07059	100.0
82.07388	4.1
91.05496	0.8
93.07050	3.1
94.07842	1.1
95.04965	1.6
95.08612	15.1
96.04491	1.6
96.08956	0.6
101.00878	3.5
103.54005	0.5
105.03396	0.4
105.07026	1.6
108.05743	1.5
108.09365	1.2
112.03964	1.0
119.01922	15.0
121.10139	1.0
123.04431	1.9
123.05543	1.9
123.08096	2.9
123.11707	20.5
124.03957	3.0
124.12045	1.2
125.00793	0.5
137.02953	5.1
142.03487	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
51.83596	0.4
53.03939	1.2
55.05511	4.2
55.14230	0.4
57.07077	6.0
60.43626	0.3
65.03925	0.8
67.05506	11.8
68.05817	0.4
69.07072	3.2
79.05493	16.0
80.05014	1.7
80.05819	0.5
81.07057	100.0
81.14203	0.5
82.06549	0.5
82.07388	3.8
91.05449	0.4
93.07030	2.0
94.07818	1.1
95.04974	0.8
95.08608	13.8
96.04491	1.3
96.08887	0.5
101.00892	1.5
105.08466	0.4
108.05780	0.4
108.09360	0.9
112.00363	0.4
112.03947	0.7
119.01923	9.4
121.10118	1.2
123.05537	2.5
123.08050	1.6
123.09166	0.8
123.11710	19.0
124.03950	2.5
124.07622	0.8
124.08652	0.8
124.12010	1.0
137.02963	4.4
142.03531	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
53.03945	2.2
55.05515	5.9
57.07079	5.2
65.03946	1.1
67.05507	15.7
68.05834	0.9
69.07067	3.4
70.47393	1.4
75.09041	0.4
79.05495	16.4
80.05026	2.2
80.05807	0.8
81.03410	0.7
81.07057	100.0
82.07385	4.3
83.84141	0.5
93.07050	2.8
94.07808	0.9
95.04981	2.5
95.08606	15.6
96.04502	0.8
96.08936	1.0
101.00890	1.7
105.07024	1.9
108.05734	2.4
108.09378	1.0
109.02868	0.6
110.11697	0.5
112.03959	0.8
119.01927	6.0
121.10121	1.3
123.04434	2.3
123.05566	3.0
123.08081	7.9
123.11711	21.5
124.03945	2.6
124.12052	1.3
137.02960	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53312	0.2
60.00621	0.2
61.98787	0.1
62.05592	0.2
69.93792	0.2
70.87733	0.3
70.88056	0.2
79.59323	0.2
82.01435	0.4
82.99840	3.7
100.02523	0.8
101.00882	37.9
102.00942	3.0
102.02198	0.3
118.03552	0.2
119.01920	100.0
120.01996	7.5
120.03256	0.4
121.02366	0.3
124.02445	0.7
135.48425	0.2
137.02956	22.6
138.03040	1.5
139.03313	0.2
142.03500	3.7
143.03700	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25823	0.2
66.59332	0.1
70.51269	0.2
70.51585	0.3
82.01437	0.3
82.99843	4.0
83.01542	0.2
83.99915	0.2
100.02480	0.5
101.00882	35.6
102.00950	2.7
118.03529	0.3
119.01922	100.0
120.02006	8.4
121.02345	0.4
124.02438	0.3
124.03873	0.2
137.02956	24.1
138.03064	2.1
142.02394	0.2
142.03500	4.0
143.03613	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91645	0.1
58.99860	0.3
63.62103	0.1
70.90797	0.2
70.99849	0.4
74.08301	0.1
77.00922	0.2
80.05016	0.4
82.01437	0.3
82.99835	3.3
83.01518	0.3
84.01168	0.2
89.00874	0.3
96.04491	0.3
97.02880	0.2
100.02483	1.0
101.00877	34.9
101.02570	0.7
102.00944	2.3
102.02227	0.5
110.04755	0.2
111.00417	0.3
112.10971	0.1
118.03516	0.3
119.01917	100.0
120.01993	7.4
120.03325	0.3
121.02335	0.3
124.02454	0.4
124.03948	1.7
124.05914	0.4
137.02951	25.5
138.03052	2.1
139.03351	0.1
142.03497	4.3
143.03693	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0963
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
53.03940	6.9
54.03459	2.5
55.01864	9.0
55.02122	2.5
55.05270	3.9
55.05515	44.9
56.05035	2.9
57.03424	4.5
62.90380	3.2
65.03941	3.6
66.73594	2.5
67.05505	4.9
68.99739	2.6
69.03439	24.5
69.07048	7.9
70.90575	3.5
70.90921	4.7
71.01363	4.9
79.05493	34.3
80.05007	7.5
81.03423	7.1
81.07060	23.1
83.04983	68.3
83.08643	3.9
84.05331	3.3
84.96033	4.1
89.78893	2.6
91.05473	29.1
95.04980	3.1
97.02884	9.3
97.06543	20.9
97.14703	2.6
98.06081	4.8
102.00974	3.7
103.00617	4.1
105.07024	11.1
107.08596	55.3
108.04473	15.3
108.08937	3.0
109.06494	7.5
119.01897	5.8
119.06055	4.7
120.02000	22.5
121.01685	19.0
125.02307	2.9
125.04311	2.8
125.05996	17.7
125.07095	7.6
125.09639	60.9
126.05523	100.0
138.03070	8.7
139.02713	4.1
141.31207	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0963
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
51.02379	4.9
51.50427	3.4
53.03947	7.2
54.09542	3.2
55.01873	34.5
55.05513	43.1
57.03448	4.6
62.62220	3.2
65.03941	16.0
67.05502	11.5
68.99772	3.9
69.03430	35.7
69.07064	14.7
70.06583	4.6
71.29028	4.1
79.05494	78.7
80.05028	9.6
80.05788	4.0
81.03439	4.7
81.07062	41.4
82.07398	5.1
83.04980	79.5
83.08622	11.1
84.96073	3.7
87.47001	3.4
91.05480	55.5
92.05790	3.7
95.01338	14.4
95.04963	7.1
95.08632	4.7
97.02886	19.9
97.06537	19.1
97.10146	5.7
98.06058	7.3
101.00862	4.0
102.00983	8.0
105.07044	21.4
107.04943	12.3
107.08595	100.0
107.09284	6.7
107.88020	3.4
108.04504	18.8
108.08934	8.3
109.06531	9.3
109.25323	3.7
110.03672	14.4
111.04468	8.2
119.01897	5.7
119.06081	7.4
120.02006	34.9
121.01682	23.8
125.02364	4.4
125.05997	34.2
125.09632	79.0
126.05526	22.8
126.09980	4.5
138.03098	16.7
139.02722	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0964
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
50.00510	1.8
53.03939	5.3
55.01877	21.7
55.05513	33.6
57.03434	3.3
57.07044	2.1
59.05006	4.7
63.21540	1.9
65.03931	6.5
67.05495	8.6
68.99796	1.8
69.03436	57.5
69.03819	2.9
69.07075	19.7
69.45097	10.7
70.06608	2.5
71.01344	2.0
79.05498	53.5
80.05033	3.8
80.05863	2.6
81.07053	27.6
83.04987	48.5
83.08614	4.8
84.04492	2.1
84.08153	3.1
90.49899	1.7
91.05486	34.3
92.05786	2.0
95.04967	6.8
95.08611	9.3
96.05762	2.4
97.02903	8.4
97.06514	13.3
97.10207	2.2
98.23307	3.6
99.90635	2.2
100.27365	1.8
102.00998	3.7
103.00662	2.6
105.07040	15.9
107.04987	8.5
107.08599	58.0
108.04485	9.4
108.08939	4.3
109.06525	7.5
110.03672	3.6
110.07312	6.0
110.14677	1.6
117.94133	1.9
119.06063	4.8
120.02010	14.9
121.01667	8.9
125.02391	2.7
125.06003	15.1
125.07051	2.7
125.09634	100.0
126.05508	12.3
126.09196	1.9
126.10003	8.2
138.03087	5.9
139.02692	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0392
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
53.03945	3.2
53.94006	0.3
54.04285	0.3
55.01878	2.2
55.05502	1.0
67.01849	0.4
68.99789	0.4
69.03432	3.9
70.61401	0.6
71.04989	0.8
78.51920	0.3
79.05499	0.4
81.03421	4.4
81.04531	0.4
81.07070	1.2
82.06587	2.5
83.01341	0.5
85.02905	0.5
85.06533	0.3
86.06063	0.3
97.02889	0.7
99.04435	0.7
100.07613	0.8
109.02888	7.5
109.06519	0.6
110.03156	0.4
110.06029	0.4
119.01893	0.3
122.02019	0.3
127.03918	100.0
128.03433	0.5
128.04260	4.6
128.07072	0.9
129.95294	0.3
137.02985	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0391
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
53.03949	71.9
54.04256	2.4
57.03440	5.8
64.96551	1.9
67.01851	2.9
68.64894	2.1
69.03434	34.9
69.23600	16.4
71.04990	37.0
81.03419	100.0
82.03748	3.7
85.02903	4.8
97.02882	11.7
99.04457	88.6
99.05101	5.0
100.04792	4.2
109.02892	29.3
110.03172	2.5
125.25800	2.1
127.03916	26.5
128.06238	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0389
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
53.03949	2.9
55.01878	1.1
57.03424	0.3
67.01853	0.4
67.05492	0.2
68.99782	0.3
69.03433	0.4
71.01366	0.3
71.04987	0.4
71.30192	0.3
73.02856	0.2
76.61741	0.2
81.03420	1.6
81.07053	0.3
82.06588	0.3
85.02918	0.2
97.02882	0.6
109.02882	5.0
109.10150	0.2
110.03190	0.2
115.43609	0.2
127.03915	100.0
128.03325	0.3
128.04237	4.3
128.05199	0.3
128.06221	1.1
134.05869	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.2
53.03946	3.1
55.01871	1.4
57.03426	0.4
67.01870	0.4
67.05489	0.4
68.99800	0.2
69.03416	0.9
69.07071	0.3
71.01360	0.3
71.04990	0.7
71.28950	0.3
81.03418	2.1
81.07063	0.6
82.06570	0.5
83.01321	0.2
83.05008	0.3
97.02896	1.0
103.39977	0.2
109.02877	5.7
109.10163	0.3
113.70261	0.2
122.39066	0.2
125.02383	0.2
126.42317	0.2
127.03915	100.0
128.03331	0.3
128.04262	4.4
128.06223	2.8
128.07060	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.039
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
51.43380	0.2
51.56598	0.2
53.03947	3.3
55.01872	1.3
63.62451	0.2
67.01855	0.5
70.90759	0.3
70.91068	0.4
71.01342	0.2
71.05004	0.3
75.23928	0.2
81.03429	1.1
82.06599	0.3
85.76726	0.2
97.02865	0.2
100.16731	0.2
109.02876	5.4
109.03582	0.4
125.02339	0.2
127.03918	100.0
128.03331	0.3
128.04253	4.6
128.06242	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03757	0.2
53.03950	2.6
55.01876	1.5
55.05495	0.2
57.03441	0.2
60.95869	0.2
67.01870	0.3
67.75330	0.2
68.99769	0.2
69.03419	0.7
69.11065	0.2
70.40739	0.3
70.41051	0.4
71.04972	0.4
81.03415	1.8
82.06577	0.4
88.53896	0.2
89.95238	0.2
97.02888	0.5
98.23274	0.2
109.02882	4.3
124.63193	0.2
127.03916	100.0
128.03331	0.3
128.04256	4.4
128.06194	0.7
128.07076	0.4
136.72461	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0391
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
53.03951	3.1
55.01881	1.7
55.05503	0.2
57.03447	0.2
67.01855	0.6
68.99794	0.2
69.03418	0.8
69.79346	0.7
69.79759	0.3
71.04988	0.4
81.03411	1.9
81.07060	0.3
82.06573	0.5
85.06546	0.2
95.96870	0.2
109.02877	5.4
110.03280	0.2
127.03918	100.0
128.04256	4.2
129.14450	0.2
146.81358	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0392
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
53.03954	4.5
55.01874	2.7
55.05508	0.9
56.71657	0.2
57.03444	0.6
57.07067	0.3
64.12702	0.2
67.01845	0.5
67.05508	0.4
68.99809	0.2
69.03439	3.3
70.55907	0.5
71.01355	0.3
71.05013	1.7
79.05505	1.8
81.03429	4.0
81.03867	0.4
81.07071	4.7
82.06602	1.4
82.07363	0.2
83.01356	0.3
84.08176	0.3
85.02889	0.4
85.06561	0.4
86.06093	0.2
97.02898	0.9
99.04470	0.5
99.08117	0.4
100.07623	0.6
109.02893	7.4
109.06541	1.9
110.06046	0.3
115.58553	0.2
119.01955	0.2
127.03927	100.0
127.07542	1.0
127.11240	0.3
128.03430	0.4
128.04257	4.5
128.06244	0.3
128.07111	0.9
133.34724	0.2
134.31758	0.2
138.02382	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1119
Annotation	Sulcatone
Peak:m/z	Relative Intensity
53.03942	19.3
55.01870	10.8
55.05506	10.8
57.03436	27.2
57.07037	4.7
59.19277	4.8
61.97264	4.6
63.40999	4.5
65.60275	5.0
67.05505	12.9
69.03431	27.4
70.57219	13.2
71.04996	100.0
79.05493	20.7
81.03426	38.2
81.07048	32.4
81.76537	5.4
82.06581	14.7
83.08617	5.0
85.06554	24.7
97.02911	10.7
99.04487	6.9
100.07612	5.2
109.02870	22.3
109.06472	7.0
109.10159	9.1
120.11077	4.4
120.95902	4.3
122.14310	4.4
127.03931	83.2
127.07397	5.7
127.11184	29.2
128.03421	4.4
128.06219	12.7
128.07100	10.3
128.10756	5.5
132.46632	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.3
58.58030	0.2
60.00658	0.3
60.04526	0.2
66.67213	0.2
67.99895	6.4
68.13241	0.2
68.98308	0.3
68.99979	0.5
69.41062	1.0
77.00968	0.2
82.01489	0.2
82.06573	0.6
82.99839	1.9
86.00936	20.1
86.99332	0.5
87.00999	1.4
98.23367	0.2
100.02489	1.4
100.07594	0.2
101.00882	20.1
102.00933	1.6
103.02448	0.6
104.01974	39.0
105.00367	0.6
105.01062	2.0
105.02051	3.2
106.02412	0.2
109.02528	0.2
111.04451	0.5
113.51666	0.3
118.03532	3.9
118.52408	0.5
119.01923	100.0
120.02007	8.7
121.01647	0.4
121.02400	0.3
121.03491	0.3
122.03008	22.7
123.01213	0.5
123.02103	8.7
123.03086	1.8
124.02438	0.2
127.03551	0.8
128.01945	1.2
128.07094	0.4
136.04582	3.0
137.02959	39.9
138.03044	3.8
139.03464	0.2
140.03030	0.5
141.03105	3.6
141.04103	0.3
142.03523	1.9
145.04587	0.5
146.02969	8.2
147.03104	0.8
147.05006	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01867	1.4
55.05512	26.6
55.93529	4.0
56.05024	1.7
56.05841	1.0
57.07077	1.6
58.06592	1.9
58.61703	0.5
59.05000	100.0
59.41755	0.5
60.05349	2.1
61.91036	0.5
67.05521	1.1
68.99791	1.4
69.03429	61.1
69.07069	2.5
70.03758	1.3
71.37473	0.9
72.08153	0.9
74.09713	1.3
82.06584	0.8
82.97495	0.6
83.04977	14.5
83.06089	5.4
83.06880	0.7
84.04503	14.3
84.05268	0.6
84.08141	16.4
84.08615	1.0
85.02915	0.7
86.09686	0.8
87.04466	1.3
91.26324	0.5
101.06030	3.1
103.05482	2.3
108.77005	0.5
111.04436	6.5
112.06821	1.0
112.07607	19.8
112.11236	7.1
128.06192	3.0
128.95078	1.2
129.04482	1.1
129.05501	3.7
129.07019	2.5
129.13882	1.0
130.06523	26.8
130.08617	4.5
130.15956	2.1
146.96156	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
53.91729	1.4
53.91994	1.4
55.01864	5.9
55.05503	4.3
55.93521	2.3
56.05039	2.8
56.10157	1.2
57.07085	8.1
58.59956	1.4
59.05022	2.8
60.05638	1.5
69.03432	10.1
69.07075	6.6
69.21810	7.0
69.22235	5.0
70.06582	4.0
71.05000	42.9
72.05306	3.0
73.78551	1.5
74.09708	4.6
77.35459	1.6
83.08622	2.6
84.04516	5.6
84.08150	39.2
86.09721	3.9
98.23349	3.6
103.05466	5.6
104.83592	1.5
112.07616	20.7
115.05436	1.6
128.06219	8.6
129.07082	9.7
129.10240	3.1
130.06537	100.0
130.08638	6.8
130.15952	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0976
Annotation	4-Guanidinobutanal
Peak:m/z	Relative Intensity
55.05514	0.4
56.05041	3.8
60.05649	11.1
67.05494	0.7
68.05035	0.5
69.03420	0.7
69.56458	1.5
70.06593	94.4
71.04994	27.6
71.06926	3.6
72.05349	0.8
80.00558	0.3
84.04507	2.4
84.08145	100.0
85.06549	0.5
85.08472	3.9
86.52311	0.3
88.07642	1.5
98.23295	0.7
103.61321	0.3
112.07601	1.3
112.08732	6.2
113.09097	0.4
121.01710	0.4
130.08633	9.1
130.09747	7.1
130.12299	1.0
131.09038	0.3
135.05032	0.4
143.01866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1592
Annotation	Octylamine
Peak:m/z	Relative Intensity
53.46526	1.5
56.05021	1.4
57.07078	94.1
58.07403	3.9
59.34069	1.5
69.00084	11.0
69.00497	5.4
71.04987	1.4
72.08160	1.8
74.09718	55.9
75.10036	2.4
84.04507	11.4
84.08153	10.0
91.05489	6.7
103.05465	13.9
112.07607	2.3
115.05389	1.9
116.06222	1.8
130.06505	10.3
130.15919	100.0
131.04939	3.6
131.08588	2.2
131.16249	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
70.57260	11.8
95.04959	7.7
102.04641	4.0
103.05467	100.0
104.05792	5.9
111.81335	3.9
112.22081	4.0
131.04915	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
53.03710	0.4
53.03949	5.7
54.92337	0.2
55.01861	0.2
57.07054	0.3
58.07893	0.2
69.16982	1.6
69.17389	0.6
77.03927	1.1
80.11540	0.2
81.03415	0.7
85.08427	0.2
85.55325	0.3
90.45271	0.3
90.90378	0.3
91.05479	4.3
95.04961	6.7
98.22591	0.6
102.04691	1.6
103.05466	100.0
104.05801	6.2
105.04501	3.2
107.13937	0.3
110.15008	0.2
115.05484	0.3
115.18764	0.3
116.06244	1.1
117.05693	0.2
129.06993	0.4
131.04933	11.9
131.06892	0.9
131.08539	2.6
131.16298	0.3
132.05278	0.8
132.08086	0.5
144.08040	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.1
53.28460	3.9
63.23034	3.4
68.36494	3.3
68.59374	3.4
69.61658	12.7
69.62068	8.3
95.04945	3.9
103.05469	100.0
103.06127	5.6
104.05786	5.1
109.30621	3.4
109.83640	4.1
115.54254	4.5
131.04935	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.3
51.02370	0.7
52.75529	0.1
53.03946	3.4
55.01871	0.2
69.52322	0.6
77.03922	1.2
81.03416	0.5
87.68377	0.1
91.05477	1.4
92.86623	0.1
95.04965	4.8
96.05277	0.2
98.23337	0.1
102.04670	1.3
103.05466	100.0
104.05795	6.0
104.90669	0.1
105.04508	2.1
115.05499	0.1
116.06267	0.4
122.39190	0.1
129.07018	0.3
131.04924	8.9
131.08572	1.0
132.05194	0.5
144.08046	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.4
51.02385	0.6
53.03949	5.9
55.01886	0.3
58.98254	0.2
69.58720	1.1
69.72821	0.2
74.05175	0.2
77.03911	1.2
81.03413	0.8
90.03879	0.2
91.05482	2.9
95.04972	7.4
96.05307	0.3
98.23352	0.3
102.04675	1.7
103.05470	100.0
104.05805	6.1
105.04520	3.1
115.05478	0.3
116.06240	0.6
117.05771	0.3
118.06498	0.2
129.07011	0.5
131.04933	11.1
131.06920	0.6
131.08539	1.8
132.04402	0.2
132.05267	0.9
132.08072	0.3
132.08978	0.2
144.08107	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.3
51.02387	0.6
53.03950	6.3
55.01883	0.4
59.50492	0.2
61.80865	0.2
69.59869	1.2
69.60226	0.5
76.02943	0.2
77.03928	1.7
81.03400	0.6
90.34752	0.3
90.77920	0.2
91.05482	1.1
95.04369	0.3
95.04965	5.4
95.10327	0.2
96.05290	0.2
102.04707	1.4
103.05470	100.0
104.05804	6.2
105.04519	3.0
105.53321	0.3
116.06229	0.5
131.04926	13.3
131.08572	0.8
132.05246	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.3
51.02383	0.6
53.03949	3.8
55.01868	0.3
58.07404	0.4
60.65023	0.2
69.28799	1.0
69.29211	0.4
72.93806	0.3
77.03932	1.0
77.94181	0.2
81.03409	0.6
85.04875	0.2
85.08473	0.5
90.90385	0.2
91.05485	3.9
95.04968	4.3
102.04681	1.5
103.05470	100.0
104.05798	6.4
105.04518	2.0
115.05442	0.5
116.06252	0.9
117.05754	0.8
120.05438	0.2
129.06990	0.6
130.06555	0.3
131.04927	10.4
131.06900	0.7
131.08516	1.8
131.16251	0.3
132.05219	0.4
132.08098	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.3
51.02370	0.7
52.75529	0.1
53.03946	3.4
55.01871	0.2
69.52322	0.6
77.03922	1.2
81.03416	0.5
87.68377	0.1
91.05477	1.4
92.86623	0.1
95.04965	4.8
96.05277	0.2
98.23337	0.1
102.04670	1.3
103.05466	100.0
104.05795	6.0
104.90669	0.1
105.04508	2.1
115.05499	0.1
116.06267	0.4
122.39190	0.1
129.07018	0.3
131.04924	8.9
131.08572	1.0
132.05194	0.5
144.08046	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.2
51.02393	0.6
53.03950	4.4
55.01861	0.3
59.46870	0.2
69.96797	0.3
69.97196	0.6
77.03928	0.7
79.87650	0.2
81.03422	0.3
85.04858	0.2
85.08504	0.3
86.68333	0.2
91.05484	11.1
92.05819	0.3
94.75220	0.2
95.04971	5.1
102.04692	1.3
103.05470	100.0
104.05093	0.4
104.05799	6.3
105.04518	2.2
115.05451	1.4
116.06249	3.1
117.05775	0.5
129.06982	1.4
131.04930	14.5
131.07033	1.1
131.08560	7.6
132.05301	0.4
132.08058	0.5
132.08929	0.7
133.06583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1022
Annotation	Isoleucine
Peak:m/z	Relative Intensity
53.03954	1.0
69.07076	9.0
70.22825	2.3
72.93788	1.3
73.02920	1.0
86.09715	100.0
87.10048	4.1
97.02911	1.1
105.07085	1.6
119.01916	1.4
132.08116	1.4
132.10269	0.9
133.03444	1.2
133.06561	1.0
135.03311	0.8
136.05185	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.9
53.03949	3.5
54.45456	0.4
55.01874	6.2
55.05500	0.4
58.43857	0.3
65.03922	0.7
69.48835	2.1
77.03931	1.5
79.05493	27.9
80.05824	1.2
81.03413	0.4
91.05479	6.3
93.07041	1.2
95.04971	4.3
97.40253	0.3
103.05471	18.9
104.05794	1.3
105.04601	2.0
105.07028	100.0
106.06641	0.8
106.07356	6.2
107.04944	0.8
111.04436	0.4
115.05451	5.2
117.07022	1.4
118.07797	1.0
131.04875	0.7
131.08607	2.1
133.06491	39.9
133.10127	8.3
134.06013	0.4
134.06857	2.7
134.10489	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02379	0.9
53.03939	4.7
55.01871	5.7
55.05504	1.7
65.03933	1.2
70.29801	0.8
70.30178	1.0
71.75860	0.5
77.03931	1.6
79.05490	26.6
80.05827	0.8
81.03431	0.5
82.59257	0.4
88.99564	0.4
91.05473	9.2
92.05807	0.7
93.07057	1.2
95.04965	4.6
103.05463	19.0
104.05790	0.7
105.04568	2.1
105.07024	100.0
106.06631	0.7
106.07355	6.6
107.04921	0.5
107.08558	0.5
115.05439	4.5
117.07017	2.8
117.31867	0.5
118.07800	2.9
122.39283	0.5
131.04971	0.9
131.08562	1.9
133.06485	34.6
133.10120	17.8
134.06821	2.3
134.10510	1.1
137.05925	0.5
140.83842	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.3
51.02382	1.0
53.03949	3.2
55.01874	5.0
55.05515	2.3
56.12150	0.2
57.03427	0.5
59.05009	1.7
65.03935	0.8
67.05509	0.5
69.03410	0.5
71.28963	0.4
73.06538	0.4
77.03910	1.1
78.04694	1.6
79.05492	21.7
79.27322	0.4
80.05827	0.9
82.24372	0.3
87.04477	0.4
90.04652	0.5
91.05482	11.9
92.05799	0.6
93.07053	2.4
95.04961	4.0
101.06004	0.5
103.05469	15.2
104.04962	0.4
105.03382	1.2
105.04590	1.7
105.07029	100.0
106.04204	0.4
106.06625	0.5
106.07357	5.7
107.04980	0.7
115.05450	4.3
115.07578	0.8
116.06321	0.5
117.07007	2.4
118.04168	1.2
118.07801	2.7
131.04944	0.7
131.08568	3.3
133.02867	0.7
133.06491	33.5
133.10124	19.2
134.03616	2.1
134.05968	1.2
134.06874	2.0
134.10449	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.086
Annotation	5-Hydroxyhexanoic acid
Peak:m/z	Relative Intensity
51.02366	0.8
53.03939	2.4
55.01865	1.1
55.05511	25.8
56.05842	0.8
57.03432	4.5
59.05000	100.0
60.05336	2.2
61.02917	0.9
63.57506	0.6
65.03941	0.8
69.07068	5.9
71.29234	0.7
71.58549	0.6
71.86938	0.6
73.02896	1.0
73.06556	11.2
75.38805	0.6
77.03929	1.1
79.05489	9.4
80.34664	0.6
83.04984	2.7
85.91427	0.6
87.08079	1.8
91.04903	0.7
91.05479	23.0
93.07030	2.8
95.04958	2.4
101.06015	33.8
102.06348	1.3
103.05483	4.5
105.03395	1.2
105.07028	66.1
106.06553	5.0
106.07368	3.9
109.06494	0.9
115.05467	3.8
115.07565	59.7
116.07912	2.6
117.07011	3.8
118.07807	3.1
131.08575	3.3
133.02826	1.7
133.06503	10.3
133.07489	0.7
133.10127	23.7
134.06013	6.2
134.06958	1.4
134.10492	1.4
143.22821	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03938	1.5
55.05518	5.3
67.05504	2.3
69.29454	6.1
70.89121	0.9
79.05499	7.7
91.05482	40.9
92.05797	2.6
93.07060	4.7
95.04967	1.0
103.05466	5.1
104.63852	1.0
105.07031	100.0
106.07364	6.6
107.08596	1.6
115.05453	10.0
116.06240	1.2
117.07043	9.1
118.07807	11.6
129.07062	0.9
131.08569	18.0
131.09502	1.3
133.06502	2.3
133.07533	1.7
133.10127	59.8
134.10443	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.05516	4.7
56.82134	0.6
65.01620	0.6
65.03953	1.1
67.05509	1.0
71.18400	0.9
71.18771	0.7
75.61496	0.6
79.05496	11.1
83.25871	0.6
91.05484	39.5
92.05798	1.6
93.07052	6.3
95.04940	0.9
103.05471	5.9
105.07034	100.0
106.07359	6.1
107.08607	1.4
112.60664	0.6
115.05463	7.0
116.06296	1.4
117.07019	11.6
118.07819	9.8
119.08096	0.6
125.04594	0.6
128.07323	0.7
131.08571	10.6
132.08864	0.9
132.90538	0.7
133.06528	1.8
133.10133	70.2
134.06018	0.7
134.10463	5.3
149.86467	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03936	1.4
55.05516	4.8
65.03937	1.1
67.05499	1.0
71.04623	0.6
71.30103	1.1
72.74863	0.7
77.12809	0.6
79.05488	10.1
80.05788	0.7
91.05480	34.1
92.05815	2.3
93.07043	6.9
95.04981	1.1
103.05440	5.8
105.07028	100.0
106.07376	5.9
107.08617	0.9
115.05447	6.2
116.06240	1.0
117.07032	8.7
118.07844	8.0
131.08565	12.6
133.06470	1.6
133.10126	54.0
134.10461	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03953	1.6
55.05516	6.3
62.36766	0.5
65.03935	1.2
66.15281	0.5
67.05502	1.3
69.12701	4.0
79.05052	1.0
79.05491	9.2
79.28084	0.5
82.35715	0.6
90.16713	0.6
91.05485	36.7
92.05815	1.8
93.07057	5.9
95.04948	1.1
103.05479	4.6
105.07033	100.0
106.07362	6.3
107.08556	1.6
107.73296	0.6
115.05433	5.5
116.06312	0.7
117.01225	0.6
117.07023	9.4
118.07811	9.8
131.08585	9.2
133.10130	69.0
134.10469	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.5
53.03940	2.8
55.01863	1.5
55.05507	2.8
65.03947	0.7
67.05497	1.1
71.29488	0.7
75.66838	0.5
77.03930	0.7
79.05492	15.5
87.01895	0.4
91.05481	28.1
92.05796	1.1
93.07043	5.9
95.04971	2.1
97.02892	0.4
103.05471	7.8
105.04557	1.2
105.07029	100.0
106.07353	4.3
107.08599	1.8
115.05444	8.5
116.06255	1.5
117.07013	8.5
118.07809	8.9
119.08136	0.5
129.07005	0.8
131.08562	9.0
132.08916	0.9
133.06500	9.6
133.10127	67.1
134.06038	0.8
134.10460	5.1
144.89601	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03937	2.4
55.05510	3.1
56.52943	0.7
65.03924	0.8
67.05505	1.5
77.03938	0.9
79.05492	11.9
91.05479	33.1
92.05792	1.5
93.07037	6.8
95.04950	2.2
98.23465	1.1
103.05463	6.5
105.07026	93.0
106.07346	6.5
107.08591	2.4
115.05439	9.2
116.06206	2.2
117.07014	11.3
118.07811	11.8
129.06982	1.0
131.08569	11.2
132.08899	0.7
133.10126	100.0
134.10466	6.4
145.23906	0.6
148.19994	0.7
150.55441	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03949	3.1
55.01864	1.1
55.05523	2.5
65.03938	1.0
67.01829	0.4
67.05495	0.7
71.29929	0.4
71.30330	0.6
74.02435	0.4
77.03931	1.2
78.04703	0.6
78.80773	0.4
79.05491	13.7
81.03414	0.5
85.02906	0.5
90.04690	0.5
91.05479	23.8
92.05810	1.7
93.07048	5.5
95.04956	2.4
103.05466	8.8
103.63770	0.5
104.05774	0.5
105.03406	0.9
105.04516	1.4
105.07029	100.0
106.06609	0.8
106.07354	6.1
107.08600	1.1
115.05453	6.7
117.07019	7.5
118.04153	1.5
118.07816	8.3
131.04855	0.5
131.08565	7.7
133.06502	19.7
133.07532	1.2
133.10126	41.5
134.03618	1.6
134.05984	1.9
134.06879	1.3
134.09590	0.7
134.10458	3.2
142.37238	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02388	0.6
53.03957	2.3
55.01866	1.6
55.05513	3.4
61.81973	0.4
65.03937	1.6
67.05503	1.2
70.44836	1.0
77.03931	1.3
79.05495	12.1
79.30548	0.5
80.05815	0.5
82.84711	0.4
91.05483	30.9
92.05811	1.1
93.02759	0.6
93.07055	6.4
95.04966	2.5
103.05471	7.3
104.05779	0.5
105.03393	0.8
105.07033	100.0
106.07359	5.5
107.04918	0.5
107.08595	0.9
115.05450	5.7
116.06242	0.6
117.07011	6.1
118.04128	0.6
118.07818	4.8
131.08568	5.7
133.02846	0.8
133.06499	13.5
133.07487	0.6
133.10129	37.2
134.05989	1.3
134.06920	0.6
134.09644	0.4
134.10457	2.3
151.25066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.2
53.03942	3.0
55.05515	5.8
65.03928	0.9
67.05517	1.2
69.21538	0.7
69.61621	3.4
70.65208	0.7
77.03925	1.1
79.05493	11.5
91.05480	35.7
92.05792	1.0
93.07046	8.4
95.04962	1.9
98.23303	0.9
102.21937	0.8
103.05465	8.3
105.07028	97.4
106.07369	6.8
107.08610	2.7
115.05454	11.4
116.06284	1.3
117.07013	12.8
118.07808	11.9
119.08071	0.9
129.07021	1.3
131.08566	11.8
132.08923	1.1
133.06505	4.9
133.10127	100.0
134.10460	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.05510	4.2
62.68122	1.0
65.03942	1.2
67.05479	1.3
69.85191	4.2
77.03929	1.1
79.05070	0.9
79.05502	12.3
91.05482	33.6
92.05783	1.5
93.07048	6.6
95.04987	1.6
96.22546	0.9
99.09057	0.9
103.05471	6.4
105.07032	94.1
106.07353	6.3
115.05446	8.5
116.06297	2.2
117.07020	11.4
118.07817	12.4
131.08575	10.5
132.08879	1.1
133.06531	2.4
133.10132	100.0
134.10474	5.1
145.56137	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.05521	3.2
57.03414	1.0
62.39473	0.6
65.03934	1.5
67.05515	1.0
69.03442	1.7
70.45867	0.9
70.46220	1.2
77.03938	0.7
79.05492	9.4
80.05816	0.9
85.02879	1.6
91.05482	30.8
91.91068	0.6
92.05800	1.4
92.38725	0.6
93.07041	6.9
95.04972	2.2
95.87881	0.7
103.05473	5.5
105.07031	100.0
106.07370	6.6
107.08563	1.4
115.05457	6.5
115.20128	0.5
116.06277	1.2
117.07014	7.1
118.07806	7.0
122.28561	0.6
131.08565	9.3
133.06482	2.9
133.07559	1.5
133.10132	49.8
134.06010	1.5
134.09589	1.3
134.10483	4.0
135.81650	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03946	1.5
55.01863	0.6
55.05510	3.2
57.31977	0.5
65.03964	0.6
69.06374	4.7
70.75034	0.5
77.03925	1.0
79.05495	10.3
79.69090	0.5
80.05823	0.6
83.25614	0.5
89.25642	0.5
91.05481	34.7
92.05807	1.8
93.07039	6.8
95.04966	1.8
103.05470	5.4
105.07029	100.0
106.07358	6.2
107.08584	3.7
115.05457	16.0
116.06289	4.2
117.07019	17.7
118.07819	15.3
123.08131	1.0
124.17306	0.5
129.07021	2.2
131.08566	38.3
132.08940	2.1
133.06502	2.1
133.10127	76.1
134.10464	5.8
144.24849	0.6
145.07629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03938	2.2
55.05515	2.9
61.86992	0.4
65.03943	0.9
65.44538	0.5
67.05499	0.8
69.26621	2.8
69.27024	0.8
77.03923	0.8
77.79865	0.5
79.05492	10.6
91.05477	28.4
92.05801	1.6
93.07040	7.4
95.04972	1.9
98.23335	1.1
99.44504	0.5
103.05465	6.0
104.05766	0.7
105.07026	71.1
106.07355	5.5
107.08595	2.5
115.05456	9.2
116.06219	2.0
117.07011	13.0
118.07805	11.5
129.06921	1.0
131.08575	8.2
133.10124	100.0
134.10457	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
53.03942	5.5
59.37147	0.8
63.02377	6.5
69.14835	3.2
69.15255	3.4
74.20893	0.8
77.03907	1.2
77.20171	0.9
79.05489	14.9
81.03394	0.8
84.70165	0.8
89.03915	100.0
90.04285	4.6
91.05469	1.3
93.07039	1.1
95.04984	5.0
100.39460	0.9
104.72856	0.9
105.04512	2.3
107.04959	16.1
107.08603	2.1
108.05262	1.2
109.01080	1.7
109.10761	0.9
117.03374	33.3
118.03691	1.9
119.03550	1.8
135.04416	51.5
135.08018	1.2
136.01184	1.7
136.02159	19.5
136.04776	2.4
136.06186	13.2
136.07222	1.4
136.07599	1.1
145.03955	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
50.01596	1.5
51.02386	6.4
53.03951	14.0
54.04277	0.5
55.01869	0.8
55.05517	0.3
63.09938	0.3
65.03937	0.9
67.05497	1.8
69.04075	2.9
71.83720	0.2
77.03934	14.3
78.04267	0.3
78.05881	0.3
79.05499	26.3
80.05820	0.8
81.03421	1.6
91.05470	1.3
91.05939	0.3
93.07025	0.8
95.04974	14.8
96.05291	0.6
105.03404	19.0
105.04492	7.9
105.07008	0.3
106.03731	1.0
107.04956	0.9
107.08590	0.9
109.01117	0.8
135.04422	100.0
136.02165	10.2
136.04761	5.7
136.06174	1.6
136.07564	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
50.35325	1.1
50.96442	1.1
51.66866	1.2
52.23494	1.0
53.03955	9.7
55.01875	1.7
55.05509	3.2
63.02377	6.3
65.03957	2.2
67.05492	2.5
69.00675	1.5
69.01084	7.8
69.07062	1.6
77.03931	2.0
79.05500	28.5
81.07062	2.2
89.03923	100.0
90.04243	5.5
91.05479	18.2
93.07051	22.2
94.07380	1.3
95.04967	7.0
95.14123	1.2
105.04541	2.4
105.07014	6.1
107.04957	14.7
107.08599	28.5
108.08866	1.3
109.06516	3.0
115.05418	1.2
117.03387	33.4
117.07045	1.2
118.03719	1.6
119.03577	1.0
119.08597	4.2
120.09359	1.3
135.04427	50.7
135.08022	6.5
135.11700	7.9
136.02168	9.1
136.04770	2.2
136.06213	4.7
136.07573	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	o-Methylacetophenone
Peak:m/z	Relative Intensity
51.02373	1.1
51.35348	1.0
53.03937	4.7
55.01863	3.7
55.05500	2.1
65.03651	1.2
65.03945	11.7
67.05508	6.1
69.03412	1.8
69.07077	1.2
71.30473	2.1
77.03921	1.8
79.05493	45.5
79.05960	2.2
80.05818	1.3
91.05481	96.0
92.05809	4.7
92.06292	2.5
93.07041	13.3
95.04961	6.9
105.04530	1.6
105.07030	29.9
106.04175	1.3
106.07368	2.0
107.04955	4.3
107.08590	51.0
108.08163	1.1
108.08917	3.5
109.01105	10.0
109.06529	10.7
115.05449	22.0
117.07027	12.3
119.03569	2.6
119.06078	5.5
119.08567	3.3
120.05735	1.6
121.06499	1.3
135.04463	5.3
135.08052	100.0
135.11694	5.1
136.02161	80.5
136.03221	2.7
136.06187	14.0
136.07405	2.0
136.08382	7.6
136.11230	1.4
137.04626	1.1
144.35591	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.02361	1.1
52.43974	0.8
53.03935	3.3
55.01865	1.7
55.05504	3.2
65.03938	9.7
67.05515	4.0
69.07040	0.8
69.25992	6.7
79.05495	27.0
79.05963	1.3
80.05833	1.1
81.07071	0.9
89.03915	1.5
91.05479	100.0
92.05799	5.0
92.06284	2.1
93.07050	12.6
94.07375	1.2
95.04970	4.3
103.05476	0.9
105.04473	1.1
105.07024	29.4
106.07378	1.4
107.04950	3.4
107.08591	59.5
108.08936	3.2
109.01102	1.7
109.06517	9.5
111.97028	0.8
115.05453	62.1
116.05704	2.1
116.06329	1.6
117.07019	29.1
118.07348	1.9
119.03525	0.9
119.06074	9.0
119.08575	4.7
120.05718	3.7
120.09331	1.5
133.06505	1.2
135.08051	68.4
135.11649	7.4
136.02158	19.6
136.06172	5.3
136.08376	4.0
137.04613	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Isochavicol
Peak:m/z	Relative Intensity
51.02376	1.2
53.03946	4.8
55.01870	3.0
55.05506	10.2
57.07069	0.8
63.74458	0.6
65.03936	5.5
67.05504	6.9
69.07050	3.0
69.31526	3.9
69.31930	1.2
77.03889	1.4
79.05493	38.8
80.05823	1.2
81.03413	1.0
81.07053	5.0
82.14458	0.8
89.03922	1.9
91.05478	69.9
92.05810	3.0
92.06307	1.2
93.07042	44.1
94.07356	1.7
94.07852	0.9
95.04972	7.5
103.05470	1.0
105.04507	2.4
105.07025	21.4
106.04132	0.7
106.07324	1.2
107.04964	6.1
107.08591	67.0
108.08917	4.2
109.01083	1.6
109.06528	7.2
115.05453	13.6
116.06277	0.9
117.07018	7.4
119.03510	1.1
119.06069	5.8
119.08572	9.0
120.05708	0.8
120.09425	3.3
135.04396	2.3
135.08049	100.0
135.11684	19.3
136.02156	24.7
136.06178	10.2
136.07465	1.4
136.08392	7.5
136.12032	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03958	4.9
55.01875	16.2
55.05510	3.1
57.26138	0.8
65.03947	9.0
67.05500	7.4
69.03432	18.6
71.29963	1.5
77.03914	1.2
79.05496	55.7
80.05822	2.5
81.07063	1.8
91.05484	100.0
92.05817	3.6
92.06309	1.6
93.07046	21.8
94.18994	0.9
95.04972	9.5
105.04510	2.1
105.07036	30.1
105.07749	1.7
106.07378	1.5
107.04982	4.4
107.08599	53.3
108.08212	1.0
108.08915	4.2
109.01114	4.2
109.06525	9.9
110.06806	0.9
115.05460	26.8
116.05735	1.6
117.07024	20.8
118.07365	2.1
119.06056	9.4
119.08562	2.7
120.05730	1.9
135.08058	34.9
135.09097	2.3
135.11691	6.0
136.02168	42.2
136.06194	12.8
136.07513	1.8
136.08476	2.9
136.11179	2.1
137.04601	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02359	1.3
53.03953	7.2
55.05509	10.0
59.12897	1.2
65.03941	4.5
67.05499	4.5
69.07068	3.8
71.30829	2.0
77.03934	1.7
79.05495	23.1
79.80211	1.2
81.07066	4.4
85.87496	1.1
90.04848	1.3
91.05482	73.0
92.05795	2.4
92.06313	1.4
93.07045	55.6
94.07395	3.9
95.04974	10.1
95.08624	1.8
105.04519	3.0
105.06356	1.2
105.07028	32.6
107.04945	1.8
107.08596	100.0
108.08904	7.4
109.01135	6.0
109.06512	8.7
115.05502	1.4
117.07011	3.4
119.03561	1.6
119.06087	6.2
119.08575	18.9
120.09416	7.1
133.10126	2.1
135.08075	2.8
135.11690	27.6
136.02162	59.4
136.06186	13.8
136.07573	3.3
136.11211	2.0
136.12103	1.6
137.09697	1.4
144.39134	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03942	6.3
55.05510	10.6
57.07084	1.2
64.04241	0.9
65.03947	2.9
67.05499	4.1
69.07067	3.6
69.47371	7.2
73.28844	0.9
77.03894	1.1
79.05492	21.2
81.07063	3.0
91.05479	46.6
92.05782	1.4
93.07040	46.7
94.07348	2.2
95.04984	5.7
105.04543	2.7
105.07034	23.5
107.08591	100.0
108.08936	5.9
109.06507	6.9
115.05416	1.3
117.07016	2.0
119.06073	5.5
119.08587	9.3
120.09347	3.1
124.93726	1.0
125.66791	1.0
135.08061	1.9
135.11674	16.7
136.02176	6.8
136.06206	1.7
136.12041	1.2
153.64217	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03941	9.2
55.05513	11.1
65.03936	6.1
67.05511	4.7
69.07061	5.2
70.18384	4.9
79.05492	24.3
81.07053	5.0
89.61420	1.4
91.05483	63.3
92.05788	3.5
93.07045	63.4
94.07371	2.7
95.04976	8.7
97.66158	1.8
103.59208	1.6
105.04502	3.2
105.07030	28.9
107.08598	100.0
108.08255	1.4
108.08916	8.1
109.01107	10.7
109.06503	8.1
115.05449	1.8
117.07034	2.7
119.06059	6.3
119.08575	16.6
120.09352	5.5
133.10086	1.8
135.08046	6.6
135.11700	27.8
136.02167	88.8
136.06177	21.9
136.07265	2.8
136.07541	2.6
136.12056	3.2
137.04588	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03960	6.7
54.55222	2.9
55.05524	18.1
57.07114	3.4
62.64498	3.4
65.03928	4.2
67.05495	3.9
69.07174	34.7
79.05505	28.0
84.03277	3.9
87.91725	3.2
91.05482	70.9
91.06013	5.6
93.04525	22.3
93.07041	65.2
94.05334	10.4
94.07405	4.6
95.04966	8.3
95.06079	5.0
96.06865	4.4
98.22974	16.4
105.07031	26.4
107.07861	5.5
107.08600	100.0
108.08916	7.6
109.01136	3.9
109.06523	6.4
118.03814	3.1
118.06586	3.6
119.06093	6.9
119.08611	18.4
120.09380	7.9
134.07164	10.5
135.11688	32.8
136.02164	45.1
136.06187	12.9
136.08682	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02386	1.2
53.03946	6.7
53.53153	0.6
55.01873	1.1
55.05513	9.4
57.07073	1.3
65.03941	7.3
67.05497	3.9
69.07059	3.4
70.41709	1.9
77.03925	1.1
79.05494	28.6
80.05813	1.8
81.03445	1.0
81.07053	2.9
91.05480	83.0
92.05807	2.5
93.07043	49.0
94.06850	0.7
94.07384	2.5
95.04968	8.4
95.08627	0.8
103.05488	2.5
104.06271	1.4
105.04521	2.8
105.07033	35.5
106.07302	1.2
107.04961	1.9
107.08594	100.0
108.08913	4.6
109.01093	0.7
109.06520	9.3
115.05463	8.4
117.07015	6.5
119.06085	7.2
119.08578	21.4
120.05746	1.1
120.09407	6.8
133.10149	1.9
135.08052	27.1
135.11688	25.8
136.02144	4.8
136.06192	2.0
136.08408	2.3
136.12035	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03949	11.0
55.01889	1.7
55.05512	14.0
61.29005	1.2
65.03941	6.0
67.05504	4.9
69.07076	4.3
69.07672	8.2
69.08078	3.5
70.92046	1.2
77.03926	2.6
79.05494	46.1
80.05828	2.1
81.07061	4.8
86.37729	1.2
89.03935	4.2
91.05480	90.5
92.05824	3.8
93.07043	75.8
94.04049	1.9
94.07388	3.7
95.04973	10.1
103.05496	1.5
105.03387	1.3
105.04549	6.0
105.07035	29.1
107.04952	3.3
107.08595	100.0
108.08221	1.4
108.08883	5.7
108.20628	1.2
109.01127	2.5
109.06509	9.7
115.05464	21.8
117.07011	15.3
118.07347	1.5
119.03583	2.1
119.06046	6.1
119.08596	10.4
120.05692	1.4
120.09341	3.0
130.36737	1.3
135.04443	3.0
135.08049	28.4
135.11679	22.4
136.02158	31.7
136.06212	11.4
136.08423	2.7
136.12025	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.4
52.14997	0.7
53.03946	9.9
55.01869	1.1
55.05510	12.4
57.07065	2.0
65.03938	2.9
67.05511	4.8
69.07079	5.2
69.51929	3.5
72.48204	0.8
76.99087	0.7
77.03921	1.9
79.05495	44.3
80.05022	0.7
80.05820	2.4
81.07063	5.4
91.05480	60.3
92.05811	1.6
93.07043	99.1
94.07349	4.3
95.04966	10.6
103.05515	1.6
105.04559	3.4
105.07034	23.5
106.07316	1.2
106.07915	1.0
106.27809	0.7
107.04952	1.3
107.08595	100.0
108.08932	6.3
109.06521	6.9
115.05454	2.2
117.07030	2.4
119.06059	5.4
119.08582	9.5
120.09431	3.3
133.10133	1.5
135.08072	1.8
135.10675	1.4
135.11697	28.0
136.02187	3.4
136.12018	1.8
146.03967	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03948	5.4
55.01860	1.1
55.05515	7.5
65.03944	2.0
67.05511	4.6
69.07060	3.3
70.42023	3.1
77.03913	1.3
79.05067	1.2
79.05499	19.4
81.07051	4.7
91.05482	34.9
92.05811	1.4
93.07045	52.2
94.04080	1.0
94.07362	2.4
95.04959	5.5
105.04530	2.1
105.07037	12.1
106.07315	1.0
107.04974	1.1
107.08595	100.0
108.08936	7.0
109.01083	2.8
109.06572	4.2
109.07193	0.9
117.07059	1.1
119.06064	3.3
119.08586	3.9
120.09367	1.2
135.04454	1.1
135.08102	2.1
135.11691	16.9
136.02162	24.5
136.06200	3.0
136.12045	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03943	10.3
55.01887	1.0
55.05513	19.3
57.07090	1.6
58.45610	1.1
59.69333	1.0
65.03941	4.5
67.05505	4.1
69.02599	11.3
69.02926	1.0
69.07068	7.6
77.03932	2.9
79.05492	38.3
81.03446	1.3
81.07055	7.4
89.03928	2.1
91.05480	72.1
92.05814	2.8
93.07044	73.5
94.07372	3.9
94.07884	1.7
95.04971	9.4
95.08620	1.3
102.61478	1.1
103.05470	2.3
104.06282	1.1
105.04530	4.7
105.07034	30.6
106.04135	1.2
107.04962	2.4
107.08592	100.0
108.08906	6.3
109.06517	7.3
115.05421	2.5
117.03439	1.6
117.07038	3.6
119.06074	6.3
119.08588	18.7
120.09412	7.1
123.50523	1.2
133.10129	2.3
135.08052	8.6
135.11693	25.0
135.12697	2.1
136.02156	12.9
136.06175	7.0
136.12048	1.7
137.09602	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.38241	0.8
53.03949	5.6
53.43594	0.7
55.05513	10.3
65.03938	3.1
67.05501	4.5
69.07072	3.4
71.13597	1.6
75.07732	0.9
77.03931	1.0
77.71139	0.8
79.05491	21.4
80.05832	1.0
81.07053	4.7
91.05479	48.5
92.05810	2.1
93.07040	60.4
94.07376	2.4
94.07877	1.8
95.04994	6.1
95.08623	1.3
103.05489	1.1
105.04536	3.6
105.07021	17.6
105.07663	1.2
107.04981	1.5
107.08593	100.0
108.08936	4.8
109.06493	6.4
114.47162	0.8
117.06981	1.2
119.06075	5.3
119.08564	8.9
120.09387	2.2
133.10153	1.1
135.08060	3.4
135.11691	20.1
136.02141	5.5
136.06166	1.9
136.12073	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03704	1.5
53.03945	11.5
55.01868	2.6
55.05515	12.0
57.07082	1.5
58.55365	0.8
65.03932	4.2
67.05508	6.3
69.07064	5.0
70.89407	1.1
72.29442	0.9
77.03925	2.7
79.05492	40.8
80.05819	1.3
81.07060	7.8
84.02769	0.9
85.67915	1.0
89.03922	4.8
91.05482	60.2
92.05815	3.4
93.07043	78.9
94.07378	2.9
94.07887	1.7
95.04961	8.5
101.29289	0.9
105.04524	3.8
105.07029	24.4
107.04933	2.0
107.08592	100.0
108.08911	5.8
109.01096	4.1
109.06531	7.2
115.05437	10.4
117.03410	2.0
117.06994	6.9
119.03529	1.2
119.06120	4.8
119.08574	12.8
120.09393	2.2
135.04404	3.3
135.08044	14.4
135.11684	22.7
136.02159	28.9
136.06200	9.3
136.07256	1.3
136.08423	1.2
136.12042	2.0
137.04532	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02363	1.7
53.03949	9.7
54.03690	0.6
55.01878	1.9
55.05512	21.4
57.07076	0.8
58.40945	0.6
65.03936	4.8
66.12631	0.6
67.05505	5.6
69.07078	7.5
69.49216	1.6
69.49625	2.5
70.72446	0.7
77.03918	2.3
79.05495	42.4
80.05828	1.2
81.03423	0.9
81.07048	6.1
88.19554	0.7
89.03925	0.9
91.05483	77.1
92.05795	3.7
92.06302	1.0
93.07044	78.8
94.07339	3.7
94.07900	0.9
95.04977	10.8
95.08580	0.8
95.55070	0.7
103.05473	1.2
104.06313	0.9
105.04514	5.4
105.07033	34.1
106.04181	1.2
107.04977	2.0
107.08595	100.0
108.08920	5.8
109.01083	1.1
109.06510	8.1
115.05437	3.4
117.06985	4.1
119.06055	6.2
119.08582	15.8
120.09382	6.3
133.10059	1.4
135.04425	1.4
135.08060	9.6
135.10661	1.2
135.11694	24.3
136.02167	12.0
136.06219	3.8
136.12053	1.9
137.09587	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03951	8.7
55.01863	1.1
55.05512	10.9
57.07074	1.9
57.29138	0.9
65.03940	4.4
66.30135	1.4
67.05493	5.9
69.07064	3.9
69.09042	8.2
69.09444	2.9
71.89906	1.0
77.03945	1.4
79.05495	29.1
80.05851	1.1
81.07055	4.7
84.16737	1.4
91.05482	66.7
92.05811	4.0
93.07045	63.5
94.07381	3.7
95.04967	7.7
98.23413	2.0
103.05469	3.4
104.06253	1.5
105.04504	5.5
105.07029	33.2
106.07322	1.9
107.04967	2.2
107.08597	100.0
108.08920	7.9
108.61160	1.0
108.61926	1.1
109.01102	6.5
109.06531	7.3
115.05475	3.2
117.07013	3.5
119.03535	2.3
119.06111	6.6
119.08585	22.3
119.85778	1.1
120.09384	7.1
132.34077	1.1
133.10104	2.1
135.05554	1.1
135.08066	8.1
135.09056	1.9
135.11703	28.7
136.02167	65.1
136.06181	11.9
136.07596	2.5
136.11186	3.0
136.12071	2.1
138.02654	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03949	10.4
53.63086	1.5
55.05515	17.7
61.66525	1.6
65.03934	2.6
67.05510	19.0
69.07055	5.4
71.31197	1.6
73.26796	1.7
73.27692	1.5
77.03960	1.7
79.05495	54.3
80.05830	2.0
81.07067	24.8
91.05486	37.9
92.05804	2.0
93.07047	86.7
94.04076	2.0
94.07365	4.6
95.04982	7.8
105.04495	3.4
105.07040	12.1
107.08598	72.1
108.08918	4.9
109.01117	11.8
109.06510	4.0
117.07030	2.3
119.03532	3.4
119.06094	3.2
119.08589	7.4
121.08868	1.5
133.10188	1.9
134.07986	1.9
135.05565	3.5
135.08080	4.0
135.09184	1.6
135.11694	41.0
136.02170	100.0
136.06189	41.7
136.07562	4.4
136.11206	5.0
136.12080	4.1
137.04558	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03942	9.0
55.05508	15.9
65.03936	4.2
67.05177	1.8
67.05506	21.8
69.07057	6.9
71.12533	1.9
73.03571	1.2
77.03905	1.9
79.05490	60.2
80.05806	3.0
81.07052	21.7
91.05480	41.3
92.05772	1.8
93.07039	100.0
94.06532	1.3
94.07342	6.1
95.04961	9.9
103.05486	1.5
105.04494	5.5
105.07027	14.5
107.08595	80.5
108.08912	4.2
109.01114	7.6
109.06496	4.1
110.08675	1.2
115.05466	3.9
117.07000	3.5
119.03556	1.8
119.06059	3.4
119.08592	4.6
120.09390	1.7
128.49423	1.0
130.23538	1.1
130.41611	1.3
135.04507	1.6
135.05519	2.3
135.06636	1.0
135.08081	5.1
135.11687	42.6
136.02159	69.5
136.06169	18.1
136.07533	2.3
136.11197	2.9
136.12112	2.2
137.04532	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.8
53.03949	9.3
55.05516	13.7
57.07065	1.2
65.03938	4.6
66.40604	0.9
67.05177	1.3
67.05507	16.1
68.29176	0.9
69.07071	7.4
71.30339	0.8
71.30707	1.3
77.03918	2.8
79.05495	53.5
80.05826	2.3
81.03423	1.2
81.07059	17.6
91.05484	48.8
92.05805	2.9
93.07044	80.7
94.07362	3.1
94.07874	1.4
95.04977	8.8
103.05470	3.0
105.04517	4.0
105.07033	21.5
106.07892	0.9
107.04982	4.4
107.08595	100.0
108.08921	5.4
109.01115	3.0
109.06503	5.9
114.93990	0.8
115.05474	1.9
117.07037	2.7
119.06055	4.7
119.08586	9.4
120.09367	2.7
133.10127	1.3
134.52721	0.9
135.04407	3.9
135.08044	6.9
135.11693	39.1
136.02167	30.6
136.06186	7.0
136.07469	1.0
136.11157	1.0
136.12062	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02390	1.4
52.68089	0.8
53.03942	7.0
55.01861	0.9
55.05508	10.6
57.07069	1.4
63.52648	0.7
63.99538	0.6
65.03926	3.0
67.05512	4.1
69.07066	3.4
69.63252	4.4
73.31200	0.8
77.03928	1.2
79.05492	25.0
81.03427	1.1
81.07059	5.0
89.03911	1.0
91.05477	45.8
92.05801	2.4
93.07043	49.0
94.07328	1.6
94.07845	1.1
95.04977	6.1
95.08606	1.0
105.04500	3.7
105.07023	22.2
106.04134	0.8
106.07296	1.1
107.04942	1.8
107.08592	100.0
108.08899	6.0
109.01112	4.5
109.06505	7.2
117.07000	3.0
118.85129	0.7
119.03559	1.7
119.06054	4.6
119.08572	8.6
120.09363	3.2
120.64288	0.8
135.04460	1.4
135.08057	3.2
135.11694	17.5
136.02156	45.9
136.06171	9.7
136.07257	1.2
136.07452	1.0
136.11157	1.1
136.12077	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02366	1.3
53.03946	8.8
55.05512	8.4
57.07076	1.5
65.03942	4.3
67.05493	2.0
69.07066	3.4
69.19805	1.9
69.20213	5.5
73.96339	0.8
78.04723	1.0
79.05494	22.5
80.05003	0.9
81.07059	3.6
91.05483	64.8
92.02532	0.8
92.05814	3.5
93.07043	52.3
94.07375	3.5
94.13339	0.9
95.04967	7.9
95.08659	0.9
103.05427	1.2
104.06266	1.3
104.14726	1.0
105.04527	3.0
105.07032	29.9
106.04134	1.0
106.07336	1.6
107.04958	1.2
107.08595	100.0
108.08911	5.8
109.01112	10.0
109.06514	8.9
115.05460	2.1
117.07009	4.7
119.03546	3.0
119.04420	0.7
119.06104	5.9
119.08582	23.2
119.09441	1.2
120.09414	6.3
127.49718	0.8
133.10199	1.3
135.05603	1.2
135.06564	1.0
135.08064	3.5
135.09087	1.3
135.11699	25.0
136.02162	90.9
136.06194	19.8
136.07576	3.5
136.08493	1.0
136.11229	2.9
136.12056	2.7
137.04575	1.5
137.09544	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.4
53.63086	1.5
55.05515	17.7
61.66525	1.6
65.03934	2.6
67.05510	19.0
69.07055	5.4
71.31197	1.6
73.26796	1.7
73.27692	1.5
77.03960	1.7
79.05495	54.3
80.05830	2.0
81.07067	24.8
91.05486	37.9
92.05804	2.0
93.07047	86.7
94.04076	2.0
94.07365	4.6
95.04982	7.8
105.04495	3.4
105.07040	12.1
107.08598	72.1
108.08918	4.9
109.01117	11.8
109.06510	4.0
117.07030	2.3
119.03532	3.4
119.06094	3.2
119.08589	7.4
121.08868	1.5
133.10188	1.9
134.07986	1.9
135.05565	3.5
135.08080	4.0
135.09184	1.6
135.11694	41.0
136.02170	100.0
136.06189	41.7
136.07562	4.4
136.11206	5.0
136.12080	4.1
137.04558	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.8
53.03948	14.7
55.05507	16.7
57.07075	2.5
65.03935	2.7
67.05500	8.0
68.11091	1.3
69.07068	8.2
69.55027	1.1
77.03948	4.2
78.04754	1.6
79.05496	52.2
79.05965	2.5
81.07049	9.2
91.05482	68.4
92.05820	3.5
93.07044	100.0
94.07381	4.9
95.04966	11.5
98.22531	2.5
103.05457	1.9
105.04509	3.6
105.07031	21.8
105.07738	1.4
107.04963	1.5
107.08593	96.5
108.08933	5.1
109.01115	4.4
109.06546	6.7
117.07048	2.3
119.06087	4.1
119.08586	10.9
120.09363	4.2
133.10114	1.9
135.04422	6.5
135.08055	2.6
135.11690	26.2
136.02161	30.0
136.06201	5.1
136.12047	2.6
137.19391	1.5
144.59036	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Adenine
Peak:m/z	Relative Intensity
52.19084	0.1
55.03003	0.1
67.02979	0.6
69.63968	0.3
69.64381	0.2
81.68893	0.1
82.04079	0.2
91.05491	2.1
92.02510	0.7
94.04061	4.3
95.04382	0.1
109.05128	0.8
112.05092	0.3
119.03561	14.1
119.04954	0.4
120.03905	0.4
128.00798	0.1
131.01892	0.4
136.06195	100.0
137.04610	6.7
137.06650	3.0
138.05013	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.01597	0.3
51.02386	0.7
52.24004	0.3
53.03944	1.5
55.01867	0.7
65.03938	2.3
66.04385	0.5
66.04726	8.0
66.05080	0.5
67.05067	0.3
67.05503	0.5
69.03425	0.4
69.05967	2.4
74.75030	0.2
77.03928	1.0
79.05494	5.3
80.05801	0.3
81.03385	0.3
81.07063	2.5
91.05479	3.8
93.03429	0.4
94.04188	57.9
95.04457	1.7
95.05064	1.2
98.23385	0.5
105.03377	0.7
105.04520	0.5
107.04961	2.0
107.45367	0.3
109.06519	1.2
122.03647	73.6
123.03983	3.6
129.40045	0.2
135.04419	1.0
137.05975	100.0
138.06308	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.8
52.47137	0.2
53.03952	1.3
55.01867	0.6
65.03938	2.6
66.04724	9.6
67.05076	0.3
67.05499	0.9
69.03423	0.3
69.39810	1.5
77.03945	1.4
79.05057	0.4
79.05499	5.0
81.03424	0.4
81.07064	2.2
91.05482	4.9
93.03400	0.2
94.04189	65.2
95.04473	3.0
95.04991	1.0
105.03402	0.9
105.04501	0.8
107.04956	2.1
109.06514	0.9
111.10480	0.3
118.95199	0.2
122.03651	79.7
123.03986	4.3
135.04427	0.9
137.05978	100.0
138.05327	0.4
138.06326	6.7
140.55624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02369	0.7
53.03943	2.1
55.01870	0.9
55.05519	2.2
65.03931	3.5
66.04724	8.9
67.05132	0.9
67.05502	14.9
69.03448	0.5
69.07067	1.1
70.78738	0.9
77.03912	1.5
79.03854	0.4
79.05487	8.7
81.03426	0.9
81.07055	9.1
82.07341	0.5
82.83421	0.4
91.05483	8.6
93.07064	1.2
94.04183	60.5
95.04488	1.8
95.05007	4.4
95.08599	5.5
96.52993	0.4
105.03415	1.0
105.04517	0.5
107.04952	2.5
107.08600	0.5
109.06524	2.3
109.10151	6.1
119.08578	1.1
122.03644	79.5
122.07255	2.3
123.03970	3.4
123.81120	0.5
135.04422	0.6
135.34441	0.5
137.02464	1.4
137.05972	100.0
137.09558	5.9
138.01729	0.7
138.06337	5.9
138.09056	0.6
138.09970	0.6
146.05428	0.5
149.34496	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.61448	0.4
51.02381	0.5
53.03948	1.5
55.01874	1.0
55.05511	1.3
65.03949	2.0
66.04724	8.1
67.05510	6.8
77.03942	1.2
79.05492	5.5
81.03411	0.5
81.07066	4.8
85.85678	0.4
91.05481	5.2
93.07031	1.2
94.04188	46.8
95.04512	1.5
95.05033	2.6
95.08627	2.0
105.03370	0.6
105.04484	0.8
107.04962	1.6
107.08615	0.5
109.06516	2.1
109.10148	3.0
119.04967	0.6
122.03648	67.5
123.03980	2.9
135.04419	0.5
137.05975	100.0
137.09532	2.7
138.06337	5.3
138.46603	0.4
151.86952	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.32751	0.4
53.03952	1.5
55.01868	1.8
55.05502	1.2
57.07062	0.5
65.03940	1.6
66.04721	8.6
67.05506	4.6
69.03436	0.5
70.59325	0.8
70.75724	0.6
77.03930	0.8
79.05492	5.2
81.07059	6.5
91.05492	4.1
93.03374	0.5
94.04187	55.8
95.04498	1.3
95.05009	1.2
95.08606	5.3
98.22761	0.6
105.03362	1.0
107.04971	2.1
109.06525	1.6
109.10168	2.0
110.40344	0.4
122.03646	66.8
123.03975	3.7
135.04433	1.0
137.05975	100.0
137.09598	1.4
138.06323	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02375	0.6
53.03948	1.2
54.48225	0.2
55.01870	1.0
65.03931	2.2
66.04721	10.3
66.05078	0.6
67.05095	0.4
67.05499	1.8
67.77128	0.2
69.03426	0.6
69.46285	1.0
77.03926	1.2
79.05491	6.0
81.03395	0.4
81.07048	3.1
91.05477	4.8
91.06007	0.4
93.03408	0.4
93.07054	0.5
94.04184	59.5
94.78268	0.3
94.87150	0.2
95.04459	2.1
95.05054	1.3
95.08603	2.0
105.03401	1.2
105.04498	0.4
106.23545	0.2
107.04943	1.9
109.06516	1.2
109.10138	0.5
122.03644	78.0
123.03972	4.3
129.93384	0.3
135.04433	0.7
137.05972	100.0
138.01686	0.4
138.05338	0.4
138.06319	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02380	0.5
53.03954	1.8
55.01876	0.9
57.89267	0.4
65.03938	2.5
66.04724	10.3
67.05495	1.0
67.68980	0.3
69.05338	3.4
77.03934	1.3
79.05496	5.1
80.05843	0.4
80.99859	0.4
81.07071	2.0
91.05491	4.5
94.04189	60.3
95.04472	2.1
95.04991	1.0
95.08618	1.1
105.03400	1.2
105.04493	0.7
107.04948	1.9
109.06496	1.0
116.67812	0.4
122.03648	78.8
123.03976	4.3
135.04350	0.4
137.05975	100.0
138.01811	0.4
138.06308	5.9
153.77718	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03942	1.7
55.01862	0.6
57.58219	0.6
65.03927	2.0
66.04723	7.8
67.05485	0.9
69.30605	3.8
71.24452	0.6
79.05490	6.0
81.07038	2.4
91.05473	4.8
94.04185	59.9
95.04474	1.2
95.04995	1.3
105.03402	1.0
105.04540	0.9
107.04934	1.6
109.06520	1.3
121.82608	0.6
122.03647	75.2
123.03953	3.4
133.89980	0.7
135.04405	0.9
137.05974	100.0
138.06310	6.5
141.82298	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.01577	0.2
51.02381	1.0
53.03949	1.8
55.01867	1.1
59.16337	0.3
65.03931	2.6
66.04717	9.5
67.05102	0.4
67.05505	3.8
69.03430	0.5
69.07063	0.4
70.32094	0.6
70.32465	0.5
72.32642	0.3
77.03934	1.2
79.05058	0.6
79.05487	5.9
81.03409	0.7
81.07053	4.9
91.05481	5.7
93.03366	0.3
93.07040	0.9
94.04183	63.9
95.04436	2.1
95.04971	1.6
95.08595	2.8
105.03394	0.8
105.04514	0.9
107.04939	3.0
109.06519	1.4
109.10171	1.4
119.04922	0.3
119.08585	1.0
121.06483	0.5
122.03644	75.5
122.07259	2.3
123.03967	3.8
135.04393	0.7
137.05969	100.0
137.09532	3.0
137.13220	0.4
138.06305	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02384	0.6
53.03941	1.5
55.01876	1.2
60.82716	0.5
65.03942	2.4
66.04718	9.3
66.05072	0.5
67.05125	0.4
67.05500	1.9
69.03435	0.8
71.18805	0.5
77.03944	0.5
79.05485	5.6
81.07059	3.4
86.56198	0.6
91.05486	5.5
94.04182	55.3
95.04510	1.7
95.04985	1.7
95.08583	1.0
105.03416	0.9
105.04506	0.7
106.25646	0.5
107.04963	2.1
107.20467	0.5
109.02853	0.5
109.06495	1.4
119.04933	0.5
122.03642	76.5
123.03977	3.9
137.05968	100.0
138.05515	0.7
138.06329	5.8
151.60248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	Toluate
Peak:m/z	Relative Intensity
51.02379	0.4
51.90016	0.3
53.03941	0.5
54.96283	0.3
55.01869	0.4
55.05503	0.5
58.02950	0.8
65.03937	8.4
65.04276	0.5
66.04286	0.3
66.04729	0.9
67.05492	2.2
69.73191	1.3
79.05496	2.8
81.07060	3.5
83.68131	0.3
91.05478	100.0
92.05804	5.2
94.04192	5.6
95.04976	0.5
95.08597	2.9
96.04508	0.5
98.23302	0.3
99.19685	0.4
107.04923	0.6
109.06514	2.9
109.10135	0.8
119.04941	29.6
120.05260	1.7
120.07674	1.0
122.03645	6.2
122.07302	0.7
123.03973	0.5
137.02466	1.0
137.05969	31.7
137.09593	1.2
138.01733	0.5
138.05446	0.3
138.06331	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03936	2.3
55.01860	1.7
55.05510	5.1
65.03936	2.9
66.04720	8.9
66.34823	0.5
67.05502	15.5
69.03432	5.1
69.07067	0.6
70.62941	1.5
77.03904	1.1
79.05496	7.6
81.07056	7.2
91.05484	7.8
91.38321	0.6
93.07016	2.3
94.04182	57.6
94.98970	0.6
95.04486	1.7
95.04970	2.4
95.08601	5.3
105.04481	0.7
107.04952	2.0
107.08601	0.7
109.06509	2.9
109.10137	4.4
111.08067	1.8
119.08563	1.2
122.03645	73.2
123.03973	3.7
123.50517	0.6
137.05971	100.0
137.09590	9.1
138.06300	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.6
53.03944	2.7
55.01864	1.4
55.05516	2.8
59.43065	0.4
60.06946	0.5
65.03931	3.2
66.04716	5.2
67.05503	32.3
68.05834	0.9
69.03416	1.6
69.07056	1.7
71.29636	0.4
71.30018	0.5
77.03908	1.8
78.30742	0.5
79.05487	8.5
79.68394	0.5
80.05836	0.5
81.03410	1.0
81.07056	13.7
83.05017	0.6
87.01604	0.4
91.05475	18.5
92.05810	1.0
93.07040	5.3
94.04180	35.9
94.07809	1.6
95.04449	1.0
95.04639	0.6
95.04967	3.8
95.08600	8.5
103.05465	1.9
104.06223	1.4
105.04533	1.2
107.04950	28.1
107.08602	1.2
109.06505	1.9
109.10152	33.9
110.10497	1.8
117.07010	2.1
119.08575	18.2
119.09446	0.6
120.08897	1.0
121.06504	8.4
122.03646	49.0
122.07280	100.0
123.03986	2.5
123.07618	5.0
135.08032	4.2
136.08368	0.7
137.02466	0.6
137.05975	65.8
137.09607	83.6
138.01735	0.5
138.06319	4.1
138.09937	5.3
138.14983	0.4
142.28712	0.4
149.06978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03945	3.0
55.01867	1.3
55.05519	4.0
57.07076	2.3
58.42532	0.8
65.03945	2.4
66.04721	3.0
67.05506	38.6
68.05842	1.0
69.03423	2.5
69.07058	2.3
71.02876	0.7
71.10419	1.1
77.03924	1.1
79.05488	10.2
81.02570	0.7
81.07053	21.9
91.05483	21.7
92.05822	1.2
93.07045	5.9
94.04188	26.8
94.07833	1.7
95.04987	4.4
95.08610	24.2
96.04472	0.9
103.05458	2.1
104.06272	1.5
105.04502	1.8
107.04952	28.0
107.08592	2.7
108.05261	1.0
109.06520	3.3
109.10162	34.7
110.10515	2.0
117.07010	2.0
119.04948	1.0
119.07780	1.3
119.08582	17.0
119.09435	0.9
120.08891	1.0
121.06487	9.8
122.03653	30.9
122.07287	100.0
123.03958	1.4
123.07623	5.6
135.08046	4.6
137.02499	1.7
137.05977	43.5
137.09613	85.6
137.13211	1.5
138.01697	0.9
138.06326	2.9
138.09969	4.9
157.84579	0.7
158.68829	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03938	3.7
55.01867	4.7
55.05510	20.9
55.73950	1.5
56.41082	1.4
57.03420	1.8
57.07067	2.7
59.39585	1.8
65.03944	5.7
66.04727	2.1
67.05504	100.0
68.05846	2.4
69.03434	22.6
69.07068	5.9
69.29250	12.8
69.29586	3.0
79.05495	16.7
81.07054	36.4
91.05479	18.2
93.07037	13.3
94.04183	18.1
95.04984	14.6
95.08605	47.0
96.08941	2.2
107.08594	4.0
109.06509	7.1
109.10150	28.5
111.08074	9.0
116.93570	1.4
117.07088	1.6
119.08588	3.4
122.03647	24.5
122.07281	3.7
137.02530	3.3
137.05980	29.6
137.09605	40.6
137.13237	2.2
138.05452	1.8
138.06387	1.6
138.10010	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03938	3.6
55.01871	6.5
55.05512	14.3
57.03436	1.3
57.04379	1.2
57.07069	1.9
59.30468	1.1
65.03925	5.3
66.04722	4.3
67.05505	100.0
68.05824	3.1
69.03419	4.4
69.07082	7.4
70.76188	2.1
79.05485	19.5
81.03438	1.9
81.07057	51.5
82.07396	2.6
83.04990	1.3
91.05482	21.1
92.05769	1.6
93.07035	8.7
94.04189	22.4
94.07828	1.6
95.04976	12.8
95.08601	23.8
96.08904	1.2
103.05452	1.4
105.04523	1.4
107.04939	10.1
107.08572	6.5
109.06509	8.4
109.10152	47.4
110.10499	1.9
117.07008	1.7
119.08566	12.4
121.06495	5.4
122.03641	26.8
122.04452	2.0
122.07285	39.5
123.07599	2.5
130.16388	1.2
132.47826	0.9
135.08026	1.5
136.35258	1.1
137.02498	2.5
137.05972	36.4
137.09616	47.6
138.05437	1.2
138.06381	1.7
138.09970	3.7
141.16983	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
53.03938	1.8
55.01867	0.6
55.05506	8.7
56.41053	0.5
57.07076	12.7
58.07414	0.6
59.24850	0.5
65.03938	2.7
66.04722	4.2
67.05502	39.1
68.05829	1.7
69.03423	0.7
69.07063	7.3
71.29133	0.9
79.05493	11.4
80.05833	1.0
81.07056	60.9
82.07383	2.8
90.85302	0.5
91.05478	9.0
93.07040	9.1
94.04186	20.6
95.04456	0.7
95.05015	2.9
95.08604	100.0
96.08945	4.6
100.12483	0.6
105.07024	0.7
107.04944	2.9
107.08584	2.1
108.09364	0.9
108.49256	0.5
109.06532	1.3
109.10154	12.9
110.10518	1.2
119.04953	1.0
119.08590	1.5
121.06484	1.3
122.03646	29.8
122.07281	7.2
123.03983	1.3
137.02470	1.5
137.05972	40.7
137.09612	10.5
137.13248	10.6
138.01720	0.7
138.06319	2.4
138.13559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	alpha-Terpinene
Peak:m/z	Relative Intensity
51.02354	0.9
53.03948	1.2
54.97880	1.0
55.05506	5.0
57.07076	13.4
59.93122	1.0
65.03939	1.1
67.05507	29.6
69.07065	7.9
69.79357	4.4
79.05486	12.1
81.07058	76.8
82.07374	2.5
93.07042	7.3
94.04180	4.1
95.08609	100.0
96.08958	5.5
98.22681	1.4
107.08626	2.0
107.14336	1.0
109.10154	9.8
120.60403	0.9
120.88564	1.0
120.92853	0.9
122.03662	6.1
137.05995	5.9
137.13258	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.05506	6.8
57.07078	14.0
65.03927	2.4
66.04716	3.9
67.05506	32.4
69.07067	7.7
77.03874	1.0
79.05489	14.8
81.07057	91.7
82.07385	3.7
91.05472	5.2
93.07040	9.4
94.04192	27.0
95.04451	1.6
95.04966	3.5
95.08609	100.0
96.08955	5.9
107.04934	1.2
107.08601	1.8
108.09372	1.2
109.06538	1.3
109.10142	8.0
121.06537	1.2
122.03651	35.1
122.07301	1.5
122.10901	1.2
123.03986	2.4
137.02525	6.0
137.05974	42.8
137.09618	3.5
137.13278	7.9
138.01717	2.0
138.06332	3.4
142.46278	0.9
147.50725	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03934	3.4
55.05506	6.8
57.07078	14.0
65.03927	2.4
66.04716	3.9
67.05506	32.4
69.07067	7.7
77.03874	1.0
79.05489	14.8
81.07057	91.7
82.07385	3.7
91.05472	5.2
93.07040	9.4
94.04192	27.0
95.04451	1.6
95.04966	3.5
95.08609	100.0
96.08955	5.9
107.04934	1.2
107.08601	1.8
108.09372	1.2
109.06538	1.3
109.10142	8.0
121.06537	1.2
122.03651	35.1
122.07301	1.5
122.10901	1.2
123.03986	2.4
137.02525	6.0
137.05974	42.8
137.09618	3.5
137.13278	7.9
138.01717	2.0
138.06332	3.4
142.46278	0.9
147.50725	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
50.37317	0.2
51.05288	0.2
53.03936	0.8
60.26744	0.2
65.03941	1.4
67.05496	1.2
69.74326	0.9
78.03430	0.9
79.04226	0.3
92.05006	9.2
93.05773	1.1
94.06568	21.9
95.06898	0.8
96.04494	3.2
98.22655	0.2
102.30748	0.2
110.06043	13.9
111.06407	0.5
120.03580	0.2
120.04482	0.3
121.06464	0.3
133.03445	0.3
136.03952	0.4
138.05499	100.0
139.05841	4.9
154.05013	0.7
156.36533	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03936	0.9
65.03934	1.5
65.98266	0.2
67.05524	1.2
69.57379	1.3
78.03456	0.8
79.04234	0.4
80.04957	0.2
92.05006	9.0
93.05813	1.3
94.06570	23.5
95.04836	0.2
95.06879	1.0
96.04493	3.7
98.23257	0.3
103.47462	0.2
110.06045	14.8
111.06401	0.7
116.48589	0.2
121.06508	0.2
121.30296	0.2
125.64484	0.2
129.27876	0.2
133.23766	0.2
136.03883	0.5
138.05504	100.0
139.05852	5.2
154.04988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08055	0.5
53.03954	3.5
55.01872	9.1
55.05517	3.4
56.96576	3.4
57.37161	0.5
59.05001	0.7
65.03944	20.7
66.04287	1.2
67.01860	7.4
67.05508	9.0
68.99790	18.3
69.03439	3.5
69.15965	4.3
71.01360	2.6
71.95258	0.9
79.05489	1.0
81.03408	0.6
81.07047	0.5
83.04981	9.9
89.64957	0.5
92.63517	0.5
93.02810	0.8
93.03407	16.0
93.07057	1.2
94.03712	0.8
95.04974	3.5
97.02888	3.9
97.06561	0.7
98.97588	15.9
99.00804	1.3
105.04518	0.6
111.04445	29.2
112.04765	1.3
116.98619	9.2
121.02870	2.5
121.03978	1.1
134.99686	2.9
139.03902	100.0
139.11201	0.8
140.04236	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
53.42492	0.2
55.01875	6.6
55.05512	3.9
56.96304	0.4
56.96569	7.1
56.97275	0.2
57.02445	0.3
59.04975	0.5
65.03942	10.8
67.01863	2.8
67.05517	2.6
68.99789	10.1
69.03432	3.6
70.00124	0.3
71.01354	1.4
71.01677	0.3
71.30462	0.4
71.95256	1.6
83.01364	0.3
83.04984	8.7
84.05341	0.6
93.03410	6.0
93.07067	0.6
95.04968	0.6
95.08609	0.5
97.02905	2.8
97.06534	0.4
98.97585	20.4
99.00823	0.3
111.04443	31.5
112.04106	0.3
112.04755	1.3
116.98624	16.2
121.02871	0.6
121.03984	0.6
121.10119	0.3
125.79352	0.2
132.23572	0.3
134.99664	7.6
139.03900	100.0
139.11205	0.4
140.00189	0.6
140.04248	6.1
153.00729	1.0
158.01286	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Sesamol
Peak:m/z	Relative Intensity
51.02364	0.7
51.54046	0.5
53.03941	2.5
55.01872	7.8
55.05515	3.9
56.96565	0.9
65.03609	1.0
65.03941	16.5
66.04289	0.7
67.01865	5.1
67.05505	6.5
68.99438	1.1
68.99792	15.1
69.03421	2.0
71.01337	2.4
71.13482	1.4
83.04980	9.2
85.50991	0.6
93.03399	13.0
93.03963	0.9
95.04966	1.7
96.38316	0.5
97.02920	3.2
98.97575	3.9
99.00839	0.9
111.04440	28.8
112.04778	2.1
116.98611	2.4
121.02867	1.8
130.22702	0.6
139.03900	100.0
140.04234	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
53.00309	1.0
53.03942	4.9
55.01872	10.2
55.05512	4.5
56.94820	0.7
56.96550	1.9
59.04982	1.0
65.03941	22.9
67.01863	7.7
67.05498	10.3
68.99788	19.4
69.03416	2.5
70.82111	1.3
70.82449	0.9
71.01348	3.2
77.03946	0.7
79.01852	0.9
83.04980	9.9
93.03409	15.4
94.58899	0.6
95.04965	3.1
96.04384	0.8
97.02897	4.3
98.97582	8.5
99.00812	1.2
110.27156	0.6
111.04437	30.2
112.04758	1.6
115.03951	0.7
116.98607	5.4
121.02855	2.1
134.99629	1.2
139.03896	100.0
140.04230	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
53.03938	1.4
55.01875	6.0
55.05513	4.4
56.96562	3.8
57.03431	0.4
59.04987	0.5
65.03941	10.8
67.01871	2.5
67.05503	2.2
68.99789	10.5
69.03429	5.7
69.07065	0.8
69.81347	1.0
69.81743	0.6
71.01340	1.9
71.95281	1.8
79.05481	1.3
81.07043	0.8
83.04981	9.6
93.03404	6.2
93.07042	1.5
95.04940	0.7
95.08595	1.2
97.02895	3.3
97.06517	1.3
98.97586	19.8
105.07030	0.7
107.14378	0.4
111.04440	30.7
111.08089	0.5
112.04763	0.9
116.98626	12.7
121.02863	0.9
121.03994	0.8
121.10164	1.9
134.99646	4.5
139.03899	100.0
139.11174	2.7
140.04225	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03940	1.2
55.01874	6.6
55.05515	3.5
56.96562	3.3
65.03941	11.1
65.04288	0.7
67.01867	2.2
67.05508	2.3
68.99790	10.7
69.03430	3.1
69.45834	2.5
71.01352	1.4
71.95251	1.0
80.66151	0.3
83.04979	7.2
85.87740	0.3
93.03403	6.3
95.04958	0.8
95.08594	0.4
97.02903	3.3
97.06520	0.4
98.97584	13.2
111.04440	30.8
112.04781	1.3
112.35879	0.3
116.98617	7.9
121.02917	0.7
121.04015	0.8
134.99651	3.7
139.03900	100.0
140.04242	6.2
145.51817	0.4
153.00754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01870	6.2
55.05511	4.7
56.96571	8.0
65.03616	0.6
65.03947	10.2
67.01873	2.3
67.05495	2.1
67.38563	0.4
68.99796	9.2
69.03437	3.4
69.07053	0.8
71.01351	1.2
71.30669	0.7
71.95261	2.3
74.38131	0.5
83.04982	8.4
93.03415	5.4
93.07025	0.7
96.04509	0.5
97.02881	3.3
98.97591	29.6
111.04449	32.9
112.04798	1.9
116.98630	17.6
121.02818	0.5
121.04002	0.7
134.99658	7.3
139.03906	100.0
139.11197	0.8
140.03264	0.6
140.04239	5.9
148.78682	0.5
153.00763	0.7
158.01288	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.00312	10.5
53.03942	2.8
55.01882	6.3
55.05524	4.4
56.96572	6.9
58.85455	0.7
60.17519	0.6
65.03941	32.7
66.04263	1.3
67.01860	2.8
67.05502	4.4
68.99792	11.8
69.03429	2.8
69.85867	1.1
69.86262	1.3
71.01357	1.7
71.95267	2.6
81.03417	2.8
83.04987	8.2
83.70866	0.7
93.03407	10.7
95.04961	2.2
96.02089	1.0
97.02893	3.8
97.54929	0.6
98.97587	28.6
111.04449	33.8
112.04761	1.4
113.10944	0.8
116.98626	16.0
121.02870	9.4
121.03997	2.3
125.02354	2.8
134.99667	5.7
139.03905	100.0
140.04222	4.7
145.17111	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88291	0.6
53.03937	2.2
55.01878	8.6
55.05516	3.2
56.96563	4.2
65.03609	1.0
65.03942	15.4
66.04286	0.9
67.01871	4.6
67.05496	4.0
68.99795	12.8
69.03448	2.9
69.37353	3.2
71.01353	2.3
71.95260	1.2
83.04985	9.0
93.03409	10.3
93.07076	0.8
94.03738	0.6
95.04963	1.8
97.02915	3.3
98.23320	0.9
98.97588	15.5
111.04443	30.8
112.04772	1.3
116.98634	8.7
121.02874	1.8
121.04012	0.7
121.06514	0.6
125.02364	0.6
134.99670	3.3
137.11470	0.5
139.03906	100.0
139.12337	1.0
140.04242	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
54.76406	1.0
55.01870	4.0
55.05513	7.3
56.96566	24.1
57.03433	2.7
57.07070	4.5
59.04991	4.3
65.03937	5.7
67.05502	4.5
68.99788	3.9
69.03429	84.2
69.07056	6.4
69.61161	6.0
70.03766	1.8
71.95272	10.3
77.65133	1.1
79.05486	8.6
81.07059	4.2
83.04977	16.3
91.05491	4.5
93.03402	2.3
93.07047	15.0
95.04983	2.4
95.08596	11.4
97.02934	1.4
97.06531	16.0
98.97582	100.0
103.05488	1.4
105.07024	8.3
111.04467	9.1
111.08095	3.7
116.98622	61.1
121.06522	1.3
121.10142	16.7
123.08065	1.2
134.98619	1.5
134.99657	25.8
139.03903	22.6
139.06308	1.5
139.11177	33.6
140.04230	2.0
140.11507	3.2
153.00720	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1118
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03944	2.6
54.76406	1.0
55.01870	4.0
55.05513	7.3
56.96566	24.1
57.03433	2.7
57.07070	4.5
59.04991	4.3
65.03937	5.7
67.05502	4.5
68.99788	3.9
69.03429	84.2
69.07056	6.4
69.61161	6.0
70.03766	1.8
71.95272	10.3
77.65133	1.1
79.05486	8.6
81.07059	4.2
83.04977	16.3
91.05491	4.5
93.03402	2.3
93.07047	15.0
95.04983	2.4
95.08596	11.4
97.02934	1.4
97.06531	16.0
98.97582	100.0
103.05488	1.4
105.07024	8.3
111.04467	9.1
111.08095	3.7
116.98622	61.1
121.06522	1.3
121.10142	16.7
123.08065	1.2
134.98619	1.5
134.99657	25.8
139.03903	22.6
139.06308	1.5
139.11177	33.6
140.04230	2.0
140.11507	3.2
153.00720	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1118
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03938	3.9
55.01859	3.4
55.05509	17.0
56.96566	14.6
57.03434	2.6
57.07058	5.3
57.07321	1.7
58.51454	1.5
59.05005	8.2
60.78668	1.4
65.03943	5.1
67.05508	10.2
69.03427	100.0
69.07066	17.5
70.51924	3.5
71.95245	3.2
79.05502	16.6
81.07067	11.1
83.04983	35.3
91.05454	8.6
93.07040	29.7
94.07401	1.9
95.04948	6.3
95.08619	18.7
97.06529	23.6
98.97580	52.4
103.05447	2.0
105.04543	2.3
105.07028	19.1
109.10167	2.7
111.04433	5.8
111.08080	6.9
116.98613	37.9
119.08607	2.8
121.06461	2.2
121.10143	37.3
122.10460	3.2
123.08083	3.0
124.05193	1.8
127.13199	1.7
133.07574	1.7
134.99661	13.3
139.03925	8.2
139.07541	3.9
139.11179	54.2
140.11528	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.1274
Annotation	2,3,4-Trimethyl-hex-3-enal
Peak:m/z	Relative Intensity
55.05513	41.4
56.05827	1.6
57.03440	7.6
57.07064	3.4
59.05001	12.0
59.60463	1.3
59.72349	1.2
65.03951	1.5
67.05505	16.1
69.07069	4.1
69.47688	4.0
69.48119	5.3
71.04990	19.8
79.05475	7.9
81.07057	100.0
82.07388	3.8
83.08617	35.1
85.02909	2.7
85.06542	4.2
95.08602	9.6
98.97620	1.9
115.05440	6.5
123.11711	25.6
123.35782	1.5
127.76104	1.4
141.06972	18.6
142.04944	1.8
142.07780	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81649	0.5
58.99865	1.1
60.53346	0.5
68.05029	1.4
69.03452	0.5
70.49332	1.4
70.99865	3.0
72.54576	0.5
76.08550	0.4
77.00900	1.5
81.04539	0.9
82.01441	0.5
82.99840	3.0
89.00886	1.2
95.06090	0.5
96.08139	0.9
97.02889	0.5
97.07661	5.9
100.02483	4.0
101.00881	36.1
102.00982	1.4
111.55952	0.5
115.05428	0.8
118.03528	9.7
119.01922	100.0
120.02024	3.3
124.02438	1.7
125.07150	1.0
136.04556	6.4
137.02956	22.5
138.03018	0.5
142.03505	11.9
142.06502	0.8
142.08603	0.5
143.01935	1.2
143.03549	2.0
143.08185	2.0
160.04558	6.3
161.02959	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
71.15216	1.7
79.99541	1.6
82.99836	4.6
96.02748	1.5
100.02496	7.4
101.00261	2.9
101.00889	37.6
118.03526	15.3
119.01926	100.0
120.02062	5.1
128.49521	2.6
136.04578	8.8
137.02956	23.6
137.50005	5.0
142.03503	19.8
160.04536	9.7
160.99631	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49327	1.1
60.53746	1.0
66.72952	0.9
70.44009	3.0
75.28651	0.9
82.99853	3.4
90.37446	0.9
100.02503	5.8
100.71542	1.0
101.00879	42.3
102.01003	1.8
118.03524	15.5
118.04310	1.8
119.01920	100.0
120.02010	5.7
124.02467	2.5
136.04581	8.2
137.02945	23.8
142.03502	20.6
143.03633	1.9
146.29723	1.1
160.04588	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
62.92984	1.6
71.29153	2.2
82.99853	4.8
100.02481	5.7
101.00890	40.9
107.19931	1.4
115.27140	1.3
118.03548	11.0
118.05996	1.5
119.01932	100.0
120.02032	5.8
124.02431	2.2
136.04533	5.3
137.02969	22.1
142.03514	16.1
143.03627	1.7
160.04535	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58230	7.0
70.64751	1.4
71.31287	1.3
82.99834	2.7
97.02921	2.0
100.02470	6.3
101.00882	38.3
113.63222	1.3
118.03516	11.8
119.01920	100.0
120.02007	3.4
136.04547	6.2
137.02963	22.0
142.03482	17.2
142.66144	1.5
143.03537	1.2
160.04536	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01867	1.8
55.05514	19.7
55.23667	1.7
57.07085	13.7
59.05012	2.7
65.03931	2.4
65.27647	1.6
67.05507	8.3
69.03422	6.0
69.07071	4.3
69.20058	13.6
71.04994	100.0
72.05337	2.2
73.06557	10.9
74.66926	1.7
78.82466	1.9
79.05492	5.0
81.07068	4.7
83.04983	8.3
83.08619	11.3
85.06541	37.0
91.05479	3.9
94.87199	1.8
95.99145	1.6
97.10148	11.2
98.06069	2.1
98.23289	3.7
102.96891	3.2
107.08592	37.1
108.08892	1.9
109.06520	2.2
115.05444	5.5
122.44833	1.6
125.09637	22.5
126.05592	1.8
128.06229	37.9
129.06960	2.9
139.01837	2.2
143.03352	4.1
143.08556	8.3
143.10670	5.8
144.08073	4.9
154.00745	1.7
155.06061	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1067
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
55.01865	3.5
55.05510	16.6
55.53522	1.7
57.07076	21.4
59.05012	3.7
65.03919	3.4
67.05512	8.7
69.03430	5.3
69.07066	3.5
69.35538	3.5
69.35942	7.5
71.04993	100.0
72.05334	2.3
73.06557	11.1
74.99520	1.7
79.05492	4.8
81.07059	5.0
83.04980	10.2
83.08614	8.2
85.06541	40.2
86.06853	2.4
91.05479	4.2
97.10168	12.1
98.23425	2.0
105.07039	3.0
107.08593	27.7
125.09641	17.7
127.57977	1.8
128.06221	5.8
131.96933	1.5
143.03433	3.0
143.08530	4.7
143.10712	2.2
144.08113	4.0
162.34038	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42508	1.5
54.14860	1.5
55.01872	1.9
55.05517	18.3
57.07082	17.9
57.36520	1.9
57.38427	1.6
59.04999	2.6
67.05526	9.3
69.03430	8.4
69.07073	3.1
70.57601	4.5
71.04996	100.0
73.06560	10.5
79.05491	3.7
81.07067	4.8
83.04980	11.2
83.08624	11.5
85.06545	44.0
91.05463	3.4
97.10176	11.0
98.06084	2.6
98.80222	1.5
101.66809	1.6
102.96893	2.0
105.07060	1.5
107.08601	34.0
108.08845	1.7
115.05455	2.2
125.09630	22.7
127.71632	1.5
128.06215	19.9
132.08711	1.4
139.01845	2.5
143.03410	19.5
143.07275	2.1
143.08545	5.2
143.10707	4.4
144.08063	9.5
145.88715	1.5
155.06046	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
55.01874	3.2
55.05269	2.0
55.05513	21.8
57.07080	18.6
57.52067	1.3
58.83538	1.3
59.05000	4.0
60.95868	1.6
65.03938	2.5
67.05508	10.0
69.01419	8.8
69.01842	4.5
69.03451	7.0
69.07078	4.2
71.04995	100.0
72.05320	2.5
73.06554	11.2
79.05498	5.6
81.07043	3.7
83.04977	10.6
83.08611	8.4
85.06547	47.3
88.61411	1.4
91.05497	4.8
96.11345	1.4
97.02910	1.5
97.10166	10.6
98.06059	2.0
102.96877	4.7
107.08596	35.8
112.14706	1.5
115.05446	3.3
120.97937	3.6
125.09629	17.4
128.06224	39.5
129.06558	2.1
136.68784	1.4
139.01814	2.0
143.03448	5.0
143.08559	12.8
143.10651	3.6
144.08063	8.7
145.06502	1.8
155.06046	1.9
161.06821	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	Cleroindicin A
Peak:m/z	Relative Intensity
55.01871	3.9
55.05516	20.2
57.03428	4.3
57.07081	22.1
58.06585	2.5
59.05004	4.6
67.05498	12.3
69.03437	11.8
69.07069	11.8
69.27185	9.9
69.27601	4.6
71.04999	100.0
72.05331	2.7
73.06558	11.8
79.05498	7.2
81.07066	4.5
83.04971	15.3
83.05380	2.1
83.08617	8.1
84.08141	3.2
85.06547	38.1
97.02905	3.0
97.06529	4.1
97.10178	9.4
98.06066	6.9
100.17566	2.1
107.08597	31.8
115.05453	4.0
116.92574	2.4
119.01924	13.2
121.00780	3.7
125.02355	2.7
125.05950	3.2
125.09621	12.2
128.06239	14.4
137.02956	2.8
139.01810	8.7
143.03395	20.7
143.08565	5.2
143.10674	3.8
144.04774	3.7
144.06528	3.0
144.08072	9.2
144.10187	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07111	1.0
55.01867	0.9
57.03435	1.2
58.06594	2.8
58.62621	0.9
60.95852	1.9
60.98724	2.2
62.92978	3.9
69.03423	1.7
70.06593	2.3
71.05000	1.8
71.17253	1.0
71.58158	0.9
78.99790	4.9
80.05027	1.2
81.03414	1.3
84.04508	2.6
84.08128	1.9
84.96042	2.2
84.99580	1.3
85.02907	4.5
96.04503	1.4
97.00819	6.9
97.02880	2.1
98.06072	5.8
98.62911	0.9
98.97581	2.4
99.04472	2.8
101.00890	1.4
102.00951	8.6
102.02247	4.1
102.96885	4.4
103.00639	16.1
116.98624	1.0
117.38787	0.9
119.01938	14.5
120.02026	55.0
120.03281	13.9
120.97898	5.0
121.00839	6.8
121.01667	100.0
121.25938	0.9
121.96647	8.0
126.05552	1.0
127.22065	0.9
134.99582	1.5
137.02962	6.4
138.03064	26.4
138.04300	12.8
138.98918	4.1
139.01796	20.1
139.02724	43.3
143.03629	1.4
144.03233	18.9
144.06560	2.9
144.08087	7.6
144.08977	1.0
144.09157	1.1
144.10179	6.7
157.00073	1.8
162.04279	11.3
163.04521	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0808
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
53.03938	0.5
62.23475	0.3
69.52913	1.9
91.05473	4.1
100.91386	0.3
103.05466	4.0
104.05016	0.4
112.51443	0.3
115.05448	9.1
116.05005	0.5
116.06268	0.7
117.05804	3.2
117.07019	22.8
118.06577	0.5
118.07333	1.3
118.44794	0.3
127.05434	1.0
128.04953	1.7
128.06194	0.9
129.05745	0.6
139.13141	0.3
142.06464	0.8
143.06155	0.7
143.07306	18.2
144.08083	100.0
145.06544	3.2
145.08426	5.9
146.06009	1.1
155.06038	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1019
Annotation	1-Aminocyclohexanecarboxylic acid
Peak:m/z	Relative Intensity
54.87060	0.3
55.05507	1.0
55.12132	0.2
56.05025	0.4
57.03439	0.3
58.06600	19.2
59.06925	0.3
60.08161	0.5
67.05478	0.5
67.79944	0.3
70.06596	1.4
71.04973	0.6
71.28653	0.3
72.08147	1.2
83.04994	0.5
84.08141	19.2
85.02886	0.6
85.06534	0.7
85.08481	0.8
86.06057	0.5
92.77515	0.3
98.09689	13.1
99.04456	1.0
99.10004	0.3
101.06005	0.3
102.00972	0.9
102.05537	3.4
103.00632	1.2
119.01876	0.4
120.01958	1.6
120.20336	0.3
121.01662	2.1
139.02690	0.4
144.10191	100.0
145.10542	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0495
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
50.61708	0.8
53.03722	0.7
53.03948	9.2
55.01871	12.5
55.05502	0.9
57.03436	16.3
59.08062	0.7
61.02926	15.3
62.92982	1.0
64.22707	0.7
69.03429	46.4
69.31175	0.7
70.03767	1.2
71.04977	3.2
71.29966	1.0
72.08135	1.3
73.02908	2.2
79.05469	1.6
81.03412	13.9
82.06567	1.4
83.01344	4.1
85.02903	100.0
86.03211	1.6
86.96746	0.8
87.04491	0.9
89.03909	1.4
91.05477	7.9
91.74918	0.8
97.02889	33.6
99.04453	3.3
103.05448	1.4
105.07032	26.9
109.02885	6.8
115.05453	4.8
117.07019	11.9
118.06532	1.6
121.96661	1.4
127.03900	4.5
128.04970	0.9
128.06203	3.0
129.07008	4.0
130.07779	14.8
143.08554	4.0
145.06453	1.7
145.08368	2.3
145.10121	29.8
146.05998	3.0
146.10471	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0496
Annotation	2-Methyleneglutarate
Peak:m/z	Relative Intensity
53.03936	14.1
55.01871	11.4
55.54091	4.3
57.03423	8.5
57.97833	4.8
61.02937	6.4
62.92982	13.0
63.32441	4.2
69.03432	62.2
71.04977	17.2
81.03413	40.0
82.06553	4.9
83.01350	7.6
85.02905	100.0
91.05504	21.2
97.02882	28.7
98.23392	9.2
99.04458	81.5
103.03957	54.8
105.07033	59.6
109.02876	8.9
115.05444	20.0
117.07042	37.8
121.96661	23.1
127.03915	34.2
128.06235	7.6
129.07014	10.9
130.07777	44.4
143.08507	9.3
145.06485	7.1
145.10126	90.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
62.92981	1.3
65.03918	1.2
67.05500	4.2
69.76987	1.4
69.77393	2.3
79.05492	2.1
82.06583	1.3
82.18157	0.7
91.05480	71.3
92.05817	2.4
98.54559	0.7
100.07613	0.9
103.05457	6.9
105.07027	60.8
106.00847	0.7
106.07364	2.5
115.05454	17.7
116.06264	10.0
117.07019	99.1
118.07372	6.8
121.96626	1.5
128.06233	7.8
129.07022	11.8
130.07790	39.6
131.08109	1.4
143.08557	15.4
144.08936	0.8
145.06458	1.9
145.10121	100.0
146.10454	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33537	1.0
55.05496	1.3
55.14110	1.0
57.03461	1.3
62.67950	1.0
62.92987	9.3
66.01086	1.2
69.03424	1.7
71.39410	1.0
79.05482	1.5
81.03420	1.5
82.06583	5.4
86.06059	1.9
87.04443	1.0
91.05482	13.1
98.23438	2.3
100.07613	2.3
103.05461	3.1
105.07030	72.7
106.07346	3.0
115.05454	8.2
116.06225	1.4
117.07021	23.0
118.06586	1.5
118.07362	1.7
121.96635	14.0
125.07398	1.0
125.47662	1.1
128.06210	6.0
128.07065	2.3
128.88760	1.2
129.07008	11.4
130.07797	43.2
131.08107	3.2
143.08572	10.3
145.10123	100.0
146.06013	4.2
146.08092	2.2
146.10474	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.6
53.03939	1.4
57.76924	0.6
62.92951	0.8
67.05498	2.0
70.84744	1.3
72.08148	0.7
79.05480	2.7
81.03397	0.7
82.06580	1.2
85.02908	1.7
89.03912	3.1
91.05484	23.9
92.05814	1.7
97.02884	1.1
98.23388	0.6
103.05453	4.6
105.07031	80.1
106.07383	4.8
115.05452	14.7
116.06323	3.6
117.03355	0.8
117.07020	40.3
118.07372	3.3
128.06221	7.3
129.07019	15.0
130.07791	51.5
131.08113	3.5
143.08540	11.5
144.08931	1.2
144.81055	0.6
145.06490	2.0
145.10124	100.0
146.10449	8.0
155.06044	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.06
Annotation	Isocarbostyril
Peak:m/z	Relative Intensity
55.05507	2.3
58.06601	1.3
60.05928	0.5
64.92805	1.2
65.03941	8.4
69.03438	0.6
70.89014	0.7
70.89367	0.7
72.08155	9.2
72.54437	0.4
81.03421	1.0
82.06575	7.5
84.04512	2.6
84.08143	1.7
86.06057	1.1
91.05477	100.0
92.05827	1.6
97.57167	0.5
100.07607	2.3
112.11250	1.8
117.05740	6.2
118.06538	85.5
119.04936	66.8
119.05856	0.8
119.06796	5.6
119.17687	0.6
123.96449	1.7
128.04953	5.8
128.07063	1.4
146.06003	18.1
146.08115	2.2
147.04408	36.1
147.06322	1.3
154.47035	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0601
Annotation	Indole-3-carboxaldehyde
Peak:m/z	Relative Intensity
51.02388	0.6
53.03944	1.0
55.05511	6.0
56.05025	1.3
56.51983	0.4
58.06594	1.0
64.92815	1.3
65.03938	8.0
65.96128	0.5
67.05533	0.4
69.03418	0.5
69.57026	2.0
70.06591	0.5
72.08159	11.9
81.03435	0.7
82.06582	15.9
83.06885	0.6
84.04034	0.7
84.04504	8.9
84.08147	2.8
85.02924	0.6
86.03241	0.7
86.06076	1.3
91.05481	75.2
92.05807	0.8
95.04977	1.4
100.07618	5.7
101.03881	0.5
101.07928	0.6
102.05522	0.5
103.05473	2.6
104.90820	0.9
105.04537	0.5
105.07023	0.9
110.06074	0.6
110.23427	0.4
111.38249	0.4
112.11246	2.8
117.05754	4.9
118.06544	16.3
118.08636	0.4
119.04942	55.2
119.06767	1.1
119.08516	0.9
121.08837	0.4
123.96475	1.9
128.04965	61.2
128.06985	3.6
129.04463	2.0
129.05307	3.7
130.05005	1.8
146.06009	100.0
146.08046	3.3
146.91795	0.4
147.04417	21.3
147.06303	6.2
147.08110	0.6
147.09091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0812
Annotation	trans-5-Hydroxypipecolic acid
Peak:m/z	Relative Intensity
53.03936	0.7
55.05511	31.1
56.05034	2.1
56.05842	1.3
60.05650	1.4
60.08157	1.9
65.03959	0.3
68.77428	0.3
69.03429	0.9
69.07054	0.5
69.86999	1.6
69.87308	0.4
70.06583	0.5
72.08146	0.5
74.02433	1.4
80.05036	0.8
82.06578	100.0
83.06916	3.4
84.04502	39.5
84.08139	2.7
85.02941	0.7
86.06065	7.1
87.04465	12.4
88.04781	0.3
91.05486	1.4
91.85497	0.4
99.04453	0.6
100.07616	36.9
101.01727	1.0
101.07163	1.0
101.07958	1.1
102.05560	1.3
104.07130	1.0
111.05562	1.4
118.06647	0.3
119.04961	1.0
122.59271	0.4
128.07076	15.1
129.07414	0.7
130.04999	10.8
130.05910	0.6
146.06169	1.9
146.08134	16.6
146.09248	3.0
146.11829	0.5
147.04420	0.7
147.08475	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0812
Annotation	trans-5-Hydroxypipecolic acid
Peak:m/z	Relative Intensity
53.03937	0.9
55.05512	31.8
56.05038	3.7
56.05848	0.9
57.03442	0.6
57.51066	0.5
60.05654	1.7
60.06155	0.5
60.31211	0.5
65.03938	1.9
67.04234	0.6
69.03419	1.4
71.22588	0.5
74.02421	0.8
78.88850	0.6
80.05022	1.0
82.06581	100.0
83.06899	4.0
84.04504	38.4
84.08135	4.5
85.02919	1.1
86.03240	0.5
86.06066	6.4
87.04469	7.1
91.05482	13.0
100.07619	35.6
101.01743	1.0
101.07985	1.4
102.05549	1.4
104.07117	0.7
111.05543	0.7
119.04948	10.5
124.99577	0.5
128.05006	0.7
128.07077	16.3
128.08044	1.0
129.07402	0.8
130.05013	11.0
130.08698	0.5
131.71512	0.5
146.05988	1.7
146.08131	15.9
146.09225	2.2
147.04430	3.8
147.08531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
65.03944	11.8
66.04277	0.4
68.99165	3.2
68.99592	1.5
82.48346	0.4
84.04498	0.6
86.23758	0.4
91.05481	100.0
91.65695	0.4
92.05812	4.2
98.23375	0.9
117.29929	0.5
119.04942	90.0
120.05276	3.8
147.04411	31.2
148.04784	2.0
148.07521	0.5
167.59943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
65.03938	11.9
69.33456	2.7
91.05479	100.0
92.05811	3.8
98.22665	0.7
103.05416	0.4
105.07027	2.6
111.69761	0.3
117.07023	0.3
119.04941	93.5
119.08572	3.3
120.05269	5.3
121.12109	0.4
147.04404	67.2
147.11656	0.8
148.04735	4.3
148.07509	0.5
152.61356	0.4
154.82724	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37378	0.4
65.03942	10.6
69.87418	0.3
91.05481	100.0
92.05814	3.7
95.05000	0.5
98.23270	1.0
105.07059	2.0
117.06982	0.5
119.04943	84.4
119.08576	1.5
120.05285	3.8
147.04410	30.6
147.11708	0.7
148.04756	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
59.04995	0.4
65.03938	14.2
65.04287	0.7
66.04269	0.5
68.95125	0.4
69.79436	0.7
69.79787	1.4
81.09470	0.3
81.92633	0.4
87.54323	0.3
91.05478	100.0
92.05797	4.1
95.04932	0.4
119.04938	88.7
120.05270	4.1
147.04401	26.6
148.04749	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
63.82292	0.4
65.03942	12.4
69.79729	2.2
72.79880	0.5
88.11078	0.4
91.05482	100.0
92.05814	3.5
105.07033	2.7
119.04944	93.4
119.08570	2.5
120.05288	5.1
147.04411	28.1
147.11668	1.6
148.04733	2.0
153.83717	0.4
159.79897	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76064	0.4
64.92815	0.5
65.03606	0.9
65.03938	12.0
70.65298	1.2
84.04492	2.7
86.85146	0.4
89.03913	0.6
91.05479	100.0
92.05813	4.3
105.07008	1.1
111.96691	0.4
117.07030	1.0
118.04101	0.4
118.59332	0.5
119.04940	87.8
119.08589	3.3
120.05261	4.4
145.75984	0.4
147.04408	32.1
147.08057	2.5
147.09094	0.8
148.04750	1.8
148.07518	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0764
Annotation	L-Glutamine
Peak:m/z	Relative Intensity
55.05507	1.5
56.05039	4.6
56.05840	1.5
60.05647	1.7
60.78304	0.5
65.37736	0.6
70.06590	5.5
71.04990	2.5
71.29050	0.7
75.82513	0.5
80.40477	0.5
82.06573	2.1
83.06918	6.7
84.04504	100.0
84.08134	5.4
85.02910	1.9
85.04855	3.1
88.04781	0.8
91.05482	3.3
93.01964	0.5
100.07626	0.6
101.01730	0.9
101.07160	2.0
101.07951	2.1
102.05542	5.2
119.04945	2.6
130.05003	19.9
130.09747	3.5
131.05370	0.9
147.04436	1.4
147.08516	1.2
148.07538	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03944	1.6
55.01877	1.2
55.05510	4.9
65.03943	9.2
67.05506	1.4
69.07074	2.2
69.45843	2.7
69.46272	2.0
71.05004	1.8
77.20061	0.8
79.05499	3.5
84.04500	4.0
85.02896	2.2
91.05482	100.0
92.05818	4.7
93.07066	2.0
95.04982	1.3
95.94141	0.7
102.04683	12.3
103.05498	2.7
104.06255	1.8
105.04538	1.1
105.07032	29.4
106.07386	1.9
107.04928	4.1
107.08597	3.3
115.05493	1.0
116.13906	0.7
117.07016	9.4
119.04947	60.9
119.08580	45.9
120.04504	1.4
120.05232	4.9
120.08141	1.0
120.08897	3.7
123.96484	1.2
129.07007	1.4
129.58676	0.7
130.04124	7.3
130.04948	0.9
130.06514	1.7
131.08546	1.4
132.05728	2.5
132.09349	3.5
145.10120	4.1
147.04420	30.1
147.05423	1.4
147.08064	9.8
147.09183	2.1
147.11691	19.5
148.05060	3.3
148.07545	7.2
148.08440	0.7
148.11996	1.4
149.88045	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Viridiene
Peak:m/z	Relative Intensity
51.13784	0.9
53.03957	1.9
54.02700	1.1
55.05513	10.0
64.83616	0.9
65.03929	3.8
67.05486	3.2
67.29437	0.8
69.07064	3.0
69.33809	4.6
69.34217	1.7
79.05499	8.4
81.07040	3.0
90.37502	0.8
91.05477	64.7
92.05814	2.8
93.07033	4.7
98.23347	1.8
102.27549	0.8
103.05456	6.7
104.06248	2.0
105.07028	84.5
106.07359	3.5
107.04908	0.9
107.08596	4.4
115.05435	1.6
116.06234	2.5
117.07023	20.4
118.07302	1.0
119.04949	17.0
119.08575	100.0
120.08915	6.1
121.10095	1.0
128.06230	1.2
129.06967	2.3
130.07770	2.8
131.08557	4.3
132.05666	1.3
132.09349	7.6
145.10141	11.7
146.10435	1.3
147.04420	9.3
147.08070	6.7
147.11682	51.5
148.07558	2.6
148.12041	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03942	2.2
55.05510	12.9
64.92800	2.0
67.05491	4.0
69.07056	3.1
71.30155	1.5
79.05492	9.6
81.07054	2.5
91.05479	37.5
92.05801	1.7
93.07028	5.1
103.05451	5.4
105.07027	100.0
106.07359	5.2
107.08582	2.2
117.07037	10.6
119.04891	2.1
119.08574	87.2
119.97473	1.0
120.08147	1.9
120.08920	5.5
120.15453	1.1
120.49734	1.1
123.96459	4.3
129.07037	2.6
132.09341	3.0
133.05229	1.4
145.10115	8.0
146.91737	1.6
147.04437	2.6
147.05521	1.4
147.08035	4.1
147.11676	47.4
148.07567	12.9
148.12039	4.5
169.21550	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03953	1.4
55.05510	6.9
65.03940	7.3
67.05499	2.4
69.04608	1.0
69.07074	3.7
69.99303	0.9
70.59553	2.1
72.15278	0.9
75.53754	1.0
79.05508	5.1
81.07066	1.9
84.04517	1.9
91.05480	100.0
92.05814	6.8
93.07042	3.2
95.04996	1.5
103.05485	3.9
104.06252	2.1
105.07028	46.7
106.07372	4.3
107.04936	1.3
107.08596	4.4
115.05454	1.3
116.06281	2.4
117.07018	13.4
117.33087	1.1
118.07339	1.1
119.04235	0.8
119.04942	56.2
119.08579	67.3
120.05296	2.1
120.08150	1.2
120.08888	5.0
123.96507	1.3
128.06233	1.2
129.07018	2.1
131.08577	2.5
132.05713	1.9
132.09369	5.3
145.10144	7.3
147.04413	22.1
147.05490	1.9
147.08054	7.6
147.11687	29.5
148.04854	1.8
148.07549	3.7
148.12001	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.05507	11.5
64.92797	1.7
65.03941	1.6
67.05509	5.3
69.07066	2.3
79.05493	11.9
79.77599	0.9
81.07056	3.4
91.05478	40.6
92.05814	2.1
93.07034	5.0
95.04964	1.5
98.23376	1.8
103.05462	4.3
104.06297	0.8
105.07028	100.0
106.07353	6.8
107.08591	4.0
115.05453	1.4
116.06272	0.9
117.07025	10.4
119.08575	69.7
120.08152	1.0
120.08946	4.4
123.96448	2.5
131.08539	2.1
132.09387	2.7
133.05206	1.4
140.19409	0.8
143.08531	0.9
145.10097	5.4
147.04483	0.8
147.05554	1.1
147.08018	1.9
147.09164	1.8
147.11679	42.5
148.07556	8.2
148.12038	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
50.80417	0.4
53.03941	1.8
55.05510	12.9
59.37897	0.5
65.03929	0.8
67.05503	5.4
69.07001	5.3
79.05486	9.3
81.07054	2.8
91.05481	32.8
92.05806	1.9
93.07044	4.5
95.04961	1.2
103.05464	3.4
105.07029	100.0
106.07322	6.1
107.08604	2.6
115.05464	0.5
116.06259	0.7
117.07029	8.5
118.07815	0.7
119.08578	67.7
120.08908	4.5
128.06245	0.5
130.07765	0.9
131.08540	1.3
132.09354	3.0
145.10106	4.6
147.11684	46.0
148.07584	1.3
148.12022	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03946	1.7
55.01864	1.1
55.05509	12.7
64.92805	2.4
65.03928	1.2
67.05498	1.9
69.07063	3.0
69.08063	6.8
79.05485	8.7
80.05034	0.7
81.07056	2.6
91.05475	26.8
92.05825	1.9
93.07047	2.3
95.04980	1.2
103.05467	3.8
104.06234	0.9
105.07027	100.0
106.07350	5.5
107.08586	1.8
109.37132	0.6
116.06259	1.0
117.07002	8.5
119.04929	1.0
119.08573	64.1
120.08131	1.4
120.08927	3.8
123.96444	2.9
130.06541	0.7
131.08565	2.0
132.09319	2.1
133.05211	1.2
145.10132	5.2
146.01421	0.6
147.04430	1.0
147.05472	1.0
147.08035	6.9
147.09140	1.2
147.11679	48.5
148.07549	8.6
148.12035	4.7
148.46353	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.4
55.05510	6.9
65.03940	7.3
67.05499	2.4
69.04608	1.0
69.07074	3.7
69.99303	0.9
70.59553	2.1
72.15278	0.9
75.53754	1.0
79.05508	5.1
81.07066	1.9
84.04517	1.9
91.05480	100.0
92.05814	6.8
93.07042	3.2
95.04996	1.5
103.05485	3.9
104.06252	2.1
105.07028	46.7
106.07372	4.3
107.04936	1.3
107.08596	4.4
115.05454	1.3
116.06281	2.4
117.07018	13.4
117.33087	1.1
118.07339	1.1
119.04235	0.8
119.04942	56.2
119.08579	67.3
120.05296	2.1
120.08150	1.2
120.08888	5.0
123.96507	1.3
128.06233	1.2
129.07018	2.1
131.08577	2.5
132.05713	1.9
132.09369	5.3
145.10144	7.3
147.04413	22.1
147.05490	1.9
147.08054	7.6
147.11687	29.5
148.04854	1.8
148.07549	3.7
148.12001	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.7
52.11988	0.7
53.03960	1.8
55.01863	3.0
55.05519	1.4
65.03942	55.2
66.04269	1.7
67.05504	0.9
68.99784	1.1
69.03437	1.4
69.07056	1.4
69.61186	3.5
77.03905	0.7
79.05496	8.9
81.07054	3.0
91.05482	17.3
92.05778	0.9
93.03412	12.0
93.07046	20.2
95.04958	2.5
95.08600	0.8
98.03681	2.7
103.05478	2.6
105.07029	9.5
107.04951	1.2
107.08598	6.7
111.04436	8.4
115.05456	0.9
116.06213	1.4
119.08556	3.0
120.29939	0.7
121.02864	57.2
121.03976	20.1
121.06474	4.6
121.09306	0.9
121.10149	12.9
122.03176	2.6
123.08096	1.1
131.04947	0.6
131.08568	4.3
133.07616	0.7
139.30925	0.6
149.02341	100.0
149.05954	2.2
149.09622	18.1
149.13242	2.1
150.02705	4.6
150.10010	1.2
154.95644	0.7
167.03337	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	trans-Cinnamate
Peak:m/z	Relative Intensity
53.03933	4.1
56.56430	0.9
65.03941	3.9
68.48571	1.1
69.01470	11.1
77.03945	2.1
79.05492	70.4
80.05827	3.7
85.86970	1.0
91.05469	2.5
95.04967	2.9
98.48189	1.1
103.05469	99.8
104.05799	6.1
105.04523	1.1
105.07019	2.0
107.04953	60.9
108.05289	3.5
119.87872	1.2
121.02824	4.9
121.06503	2.8
124.92993	1.1
125.80124	1.0
131.04926	100.0
132.05273	6.9
149.02353	7.8
151.12680	1.2
154.12204	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
52.25447	0.8
53.03943	5.3
55.01872	1.9
55.05501	2.7
57.00241	0.8
65.03937	6.3
67.05495	1.8
69.03423	2.3
69.48125	3.1
72.10480	0.8
77.03915	2.3
79.05492	25.6
80.05798	1.2
81.03396	0.8
81.07058	2.9
91.05480	36.8
92.05798	1.9
93.07040	46.2
94.07374	2.2
95.04974	5.8
103.05463	7.5
105.04530	1.9
105.07027	42.1
106.07890	4.5
107.04932	2.9
107.08583	3.4
109.06494	3.7
115.05442	3.1
116.06250	10.5
119.08578	6.8
121.02888	5.0
121.03964	2.0
121.06513	14.4
121.10142	29.4
121.11019	1.5
122.10463	1.8
123.08017	3.7
129.07024	3.8
131.08549	8.5
133.07603	2.1
134.07275	2.1
147.08031	1.0
149.02333	9.1
149.09615	100.0
150.09961	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03955	4.3
55.01866	1.1
55.05500	1.9
58.28317	0.8
63.99282	0.7
64.77760	0.8
65.03948	7.0
65.12991	1.0
67.05492	1.9
67.89495	0.9
69.00830	6.4
69.03424	0.9
77.03938	1.3
79.05062	1.6
79.05496	22.3
80.05828	1.5
81.03361	0.9
81.07042	3.0
87.78922	0.7
91.05480	24.7
92.05778	0.8
93.03416	1.7
93.07046	42.0
94.07384	1.5
95.04992	5.4
103.05475	7.6
105.04520	1.7
105.07031	33.3
106.04227	1.3
106.07858	4.5
107.08593	2.8
108.08753	0.8
109.06522	3.2
115.05464	1.2
116.06215	2.6
119.08577	6.2
121.02860	8.0
121.03979	2.5
121.06511	8.6
121.10143	24.0
122.10429	1.1
123.08059	2.2
123.18641	0.8
131.08595	1.8
133.07634	2.1
134.07326	1.4
149.02353	14.2
149.09621	100.0
150.09950	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
52.80044	1.0
53.03962	6.7
55.01869	3.0
55.05502	3.1
55.76252	1.1
65.03944	14.2
67.05495	2.2
67.75534	1.0
69.03442	1.3
69.07039	1.7
69.59782	5.5
77.03920	2.4
79.05496	27.4
80.05794	1.3
81.07042	4.1
91.05479	34.2
92.05805	1.3
93.03416	3.6
93.07047	64.1
94.07375	3.6
95.04975	7.3
103.05473	9.0
105.04502	3.1
105.07034	36.3
106.07819	4.5
107.08605	9.5
111.04476	2.3
115.05448	2.2
116.06220	3.5
119.08573	5.5
121.02855	13.2
121.03981	4.3
121.06532	5.8
121.10137	28.7
123.08079	3.4
131.08575	3.6
132.62025	1.1
133.07588	1.5
134.07245	1.8
149.01134	1.2
149.02341	26.1
149.03456	2.0
149.09621	100.0
150.09996	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	5,6,7,8-Tetrahydro-2-naphthol
Peak:m/z	Relative Intensity
51.02372	1.2
53.03949	7.5
55.01869	10.1
55.05502	4.5
55.96841	1.0
56.32618	1.1
65.03939	60.1
66.04266	2.4
67.05499	1.6
69.03426	5.6
70.68153	2.0
70.68481	1.7
74.00014	1.1
77.03938	1.3
78.04691	1.3
79.05490	22.7
91.05479	52.3
92.05800	2.3
93.03400	12.4
93.07037	32.9
94.07378	1.3
95.04964	6.3
98.03623	1.7
103.05473	10.7
105.04516	3.8
105.07025	24.8
106.07858	1.2
107.04955	23.4
107.08583	8.9
109.06522	7.6
110.27177	1.1
111.04417	7.2
115.05414	3.5
116.06226	13.5
118.88276	1.1
119.08572	3.5
121.02860	60.3
121.03973	22.8
121.06502	71.9
121.10130	16.1
122.03210	3.8
122.06838	3.3
123.08059	2.2
123.12933	1.1
129.07008	3.9
131.04947	4.0
131.08559	14.8
134.07283	3.2
137.89265	1.2
149.02338	100.0
149.05957	3.1
149.09616	48.3
150.02657	4.9
150.09988	3.4
166.67349	1.2
167.03352	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.02382	0.8
53.03949	5.5
53.17693	0.7
55.01864	3.4
55.05510	2.1
65.03944	47.4
66.04256	1.0
67.05499	1.8
69.03438	1.9
69.07056	1.2
70.64000	0.9
70.64339	1.6
72.50052	0.8
79.05498	24.3
81.07053	3.5
91.05482	29.2
92.05798	1.1
93.03405	9.7
93.06467	2.0
93.07048	39.0
94.07354	1.6
95.04972	5.9
95.90002	0.9
95.96754	0.9
96.04590	0.8
98.03680	2.1
103.05462	8.0
105.04515	1.6
105.07031	34.1
106.07859	5.6
107.04947	1.8
107.08616	7.1
108.05743	1.8
109.06518	3.3
111.04447	8.1
115.05438	2.4
116.06236	3.2
119.08587	5.2
121.02867	50.7
121.03975	16.9
121.06508	7.3
121.09293	1.4
121.10139	20.8
122.03207	2.8
122.10433	1.1
123.08041	2.3
129.07018	1.2
131.08554	1.5
133.07617	2.8
134.07236	1.0
135.08051	15.6
145.22363	0.9
149.02344	83.5
149.05977	3.9
149.09621	100.0
150.02722	4.5
150.03786	1.2
150.09984	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03945	9.4
55.05512	17.0
55.97823	3.0
57.07071	8.1
65.03942	65.4
67.05494	10.1
69.07066	25.1
79.05498	36.2
81.07047	30.0
91.05484	42.4
93.03413	13.5
93.07046	100.0
94.07363	7.2
95.04964	6.9
98.23400	6.3
105.03410	3.2
105.07027	41.0
105.46616	3.0
107.08594	91.0
108.08862	3.9
109.06519	6.2
111.04393	7.1
119.08571	7.9
121.02869	70.7
121.03991	24.6
121.10137	63.9
122.03235	6.3
122.10483	3.0
140.25185	3.8
146.10661	3.6
146.11804	3.4
149.02344	97.4
149.09616	4.6
149.13264	27.1
150.02664	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03933	4.6
55.01857	3.1
55.05514	12.3
57.07073	2.2
57.76630	1.2
65.03938	40.9
66.04285	1.8
67.05495	7.1
69.07067	18.1
71.29625	1.7
77.03925	1.8
79.05493	27.0
81.07047	17.2
83.08620	1.7
91.05479	33.1
93.03393	8.5
93.07041	79.5
94.07370	2.9
95.04952	5.0
95.08611	5.3
98.03628	1.9
103.05443	4.1
105.04480	2.1
105.07021	24.5
107.08588	100.0
108.08899	6.8
109.06493	4.4
111.04417	5.0
119.06071	3.2
119.08566	4.9
121.02855	45.4
121.03958	12.3
121.06524	7.8
121.10137	65.3
122.03130	2.1
122.10447	5.0
123.08025	3.5
125.23048	1.2
131.08575	1.6
149.02333	69.3
149.05959	3.7
149.09602	10.1
149.13252	24.5
150.02689	6.2
150.13609	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0384
Annotation	Piperonal
Peak:m/z	Relative Intensity
51.02378	1.5
53.03935	5.9
55.01870	8.0
55.05499	1.0
56.93836	1.1
61.72987	1.0
65.03941	22.9
67.05506	24.0
68.99793	1.4
69.03429	1.3
69.25650	3.9
69.26069	3.8
71.04985	1.2
77.03929	2.7
78.58997	0.9
79.05472	5.3
80.02643	2.3
80.45260	1.2
81.03441	1.3
81.07059	10.7
83.57294	1.2
91.05482	26.4
92.66815	0.9
93.07034	4.1
95.04971	13.7
95.08604	7.0
102.72617	1.0
105.04495	3.0
105.07028	5.4
107.08594	7.6
108.02097	25.1
108.02799	2.0
108.05732	4.6
109.06546	6.4
109.10164	7.2
111.03638	1.0
111.04438	2.2
112.01575	2.2
118.02991	0.9
119.04929	10.4
121.03979	1.5
123.04367	5.0
123.08059	6.1
123.11719	2.8
127.03876	1.4
133.10138	3.9
136.01556	1.8
136.05196	6.8
141.05469	10.2
151.03914	100.0
151.05051	45.2
151.07521	22.5
151.11160	8.0
152.04272	4.7
152.05402	1.2
161.30083	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.039
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.02350	0.5
53.03951	2.2
55.01875	2.2
55.05492	1.8
57.03411	0.5
59.05006	0.6
65.03943	4.5
67.05505	14.5
68.99798	3.6
69.07053	0.8
69.45444	2.2
71.05002	0.5
77.03935	0.6
78.19439	0.4
79.05498	3.8
80.57213	0.5
81.03444	0.9
81.04785	0.5
81.07053	6.1
83.04974	1.9
85.05057	0.5
91.05479	29.8
92.05808	1.3
93.07053	5.4
95.04969	18.3
95.08597	3.3
96.05273	0.7
98.22594	0.8
105.03375	0.6
105.04520	0.6
105.07018	6.5
107.04972	0.9
107.08583	4.7
107.66034	0.5
108.02094	2.4
108.05746	1.1
109.06521	4.1
109.10151	4.5
119.04946	13.6
120.05284	1.0
121.10126	0.5
123.04427	100.0
123.08031	5.1
123.11690	2.6
124.04762	4.7
133.02859	1.0
133.06512	1.0
133.10132	2.6
136.05186	3.4
137.05956	0.9
139.29915	0.5
141.05476	0.9
147.50607	0.5
151.03914	36.6
151.04994	3.3
151.07524	11.6
151.11165	5.2
152.04256	1.7
152.05516	0.6
152.07056	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0388
Annotation	Piperonal
Peak:m/z	Relative Intensity
52.38430	0.3
52.67635	0.2
53.00051	0.4
53.00307	6.5
53.03939	0.4
53.10966	0.3
55.01872	5.0
55.05515	0.3
58.23122	0.2
65.03940	10.4
66.04282	0.3
67.05502	9.1
68.99789	5.2
69.03417	0.4
71.31779	0.4
79.05465	0.4
81.03434	0.3
81.07047	1.2
91.05470	0.9
93.03407	16.5
93.07046	0.4
93.66592	0.3
94.03720	0.7
95.04958	1.6
95.08607	1.9
105.07023	0.8
108.05785	0.3
109.06502	0.5
109.10130	0.7
111.04446	1.4
119.04951	0.5
121.02865	14.7
121.16618	0.2
122.03181	0.6
122.35751	0.2
123.04430	7.1
123.08066	1.0
151.03902	100.0
151.07521	2.0
151.11195	0.7
152.04237	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.039
Annotation	Piperonal
Peak:m/z	Relative Intensity
51.02377	1.3
53.03941	8.0
55.01872	9.4
55.05512	22.6
57.03441	1.2
57.07074	1.7
59.04991	1.2
65.03611	1.4
65.03944	19.6
66.04277	1.1
67.05504	28.9
69.03441	2.3
69.07060	2.7
69.08630	1.6
69.09022	7.0
71.01367	1.0
71.04994	1.3
77.03928	2.5
79.05487	8.7
80.02639	2.9
81.03419	2.4
81.07054	21.2
85.02915	2.1
85.61946	0.9
85.88426	0.8
90.44607	0.8
91.05478	33.3
93.03416	1.0
93.07040	10.0
95.04973	16.7
95.08611	6.9
97.06521	3.0
105.04534	1.9
105.07027	12.8
107.08593	13.1
108.02100	23.2
108.05789	0.9
109.02890	1.3
109.06523	9.8
109.10155	9.4
111.04437	3.8
112.01603	2.1
119.04940	13.3
120.05282	1.0
121.03958	2.8
121.10104	1.5
123.04424	10.0
123.08071	9.0
123.11723	6.8
124.04725	0.9
133.10124	5.8
136.01566	2.6
136.05209	2.0
136.08904	1.3
141.05453	11.8
151.03912	100.0
151.05049	42.2
151.07530	12.3
151.11185	17.6
152.04242	5.4
152.05382	2.0
152.07039	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0388
Annotation	Piperonal
Peak:m/z	Relative Intensity
50.22479	0.5
52.41556	0.4
53.00305	5.9
53.03938	1.5
55.01874	5.9
55.05516	3.2
57.03435	0.5
57.07058	0.5
65.03614	0.7
65.03942	11.8
67.05505	21.2
68.05823	0.4
68.99784	5.1
69.03427	4.2
69.07063	0.8
70.27254	1.4
71.04980	0.7
79.05490	4.2
81.03410	1.0
81.07056	11.5
82.06575	0.5
82.07362	0.6
83.04964	1.2
91.05480	7.2
93.03406	14.6
93.07043	7.4
94.03695	0.7
94.07367	0.5
95.04971	6.8
95.08606	15.5
96.08929	0.9
103.05438	1.1
105.03392	0.6
105.07034	11.0
107.04992	0.5
107.08598	3.3
108.05766	3.0
109.06532	6.4
109.10152	4.9
111.04427	2.2
117.34489	0.4
119.04957	1.0
121.02870	11.9
121.03700	0.9
122.03195	0.5
122.07277	0.4
123.04430	12.4
123.08066	15.3
123.11718	3.1
124.04779	0.7
124.07567	0.6
124.08413	0.8
127.07590	0.8
133.06491	0.5
133.10149	2.6
136.05203	0.7
151.03908	100.0
151.07529	29.8
151.08557	1.0
151.11186	8.6
152.04280	4.7
152.07953	1.0
152.11497	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
51.02386	0.9
53.03947	2.6
55.01874	2.2
55.05510	15.0
56.05842	0.8
56.96571	0.7
57.03439	1.8
57.07075	1.1
59.05000	1.6
65.03938	7.2
67.05502	14.8
67.25986	0.5
69.03432	3.7
69.07067	2.5
69.57364	2.9
71.05002	0.9
79.05491	8.8
80.06268	1.3
81.03413	1.7
81.07055	22.7
81.07526	1.3
82.07381	0.6
82.20656	0.5
83.04949	1.1
83.69864	0.7
91.05479	100.0
92.05804	3.2
93.07040	8.5
95.04968	13.8
95.08607	9.3
96.08163	0.9
97.06534	2.2
98.22592	1.0
103.05486	0.9
105.04511	1.1
105.07029	13.4
106.07355	0.9
107.04938	1.3
107.08587	12.0
108.02104	2.2
108.05713	1.8
109.06518	10.7
109.10150	11.1
119.04943	46.9
120.05269	1.7
121.10180	0.7
123.04436	8.0
123.08068	7.6
123.11694	7.0
124.07628	1.1
124.12024	0.7
127.07533	0.6
133.02834	1.4
133.06503	1.6
133.07556	0.6
133.10146	5.5
134.06006	0.9
136.05206	7.0
136.08771	0.9
137.05975	4.5
141.05498	0.8
151.02826	1.0
151.03906	10.8
151.05028	3.3
151.07539	44.7
151.11169	15.1
151.12117	0.6
152.06853	2.7
152.08063	1.3
152.11554	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	(S)-(+)-2-Phenylpropionic acid
Peak:m/z	Relative Intensity
53.03946	4.2
55.01875	11.4
55.05512	49.3
56.05830	2.0
57.03432	3.7
57.07065	2.6
59.04991	2.7
65.03937	7.9
67.05508	52.6
69.03426	26.9
69.07080	10.3
69.21579	8.1
69.21982	4.2
70.73286	1.6
71.05000	3.1
79.05489	34.2
80.05816	2.1
81.03409	5.4
81.07057	73.8
82.07384	2.0
83.04984	45.8
83.08647	1.7
85.02901	3.4
91.05473	34.7
92.05812	2.8
93.06157	2.4
93.07043	28.9
94.07360	5.0
95.04966	18.4
95.08605	62.3
96.08922	3.5
103.05466	4.9
105.07028	58.6
106.07327	2.3
107.04956	2.4
107.08585	31.4
108.05733	5.5
109.06514	71.0
109.09394	1.8
109.10146	32.1
110.06884	3.3
110.10475	2.7
111.04459	11.4
119.04956	1.9
121.10103	3.3
123.04413	15.3
123.08069	45.0
123.11700	16.0
127.07517	5.3
133.06480	41.3
133.07420	3.3
133.10115	17.6
141.05496	2.2
151.03903	11.0
151.04984	3.2
151.07542	100.0
151.10252	2.5
151.11180	64.0
151.14798	4.1
152.07915	3.6
169.08658	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
55.01875	11.4
55.05512	49.3
56.05830	2.0
57.03432	3.7
57.07065	2.6
59.04991	2.7
65.03937	7.9
67.05508	52.6
69.03426	26.9
69.07080	10.3
69.21579	8.1
69.21982	4.2
70.73286	1.6
71.05000	3.1
79.05489	34.2
80.05816	2.1
81.03409	5.4
81.07057	73.8
82.07384	2.0
83.04984	45.8
83.08647	1.7
85.02901	3.4
91.05473	34.7
92.05812	2.8
93.06157	2.4
93.07043	28.9
94.07360	5.0
95.04966	18.4
95.08605	62.3
96.08922	3.5
103.05466	4.9
105.07028	58.6
106.07327	2.3
107.04956	2.4
107.08585	31.4
108.05733	5.5
109.06514	71.0
109.09394	1.8
109.10146	32.1
110.06884	3.3
110.10475	2.7
111.04459	11.4
119.04956	1.9
121.10103	3.3
123.04413	15.3
123.08069	45.0
123.11700	16.0
127.07517	5.3
133.06480	41.3
133.07420	3.3
133.10115	17.6
141.05496	2.2
151.03903	11.0
151.04984	3.2
151.07542	100.0
151.10252	2.5
151.11180	64.0
151.14798	4.1
152.07915	3.6
169.08658	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
51.81656	0.5
52.03169	0.8
53.03944	4.2
55.01876	4.3
55.05507	3.3
55.54073	0.5
57.03427	1.0
57.07076	1.1
59.04998	1.0
59.85410	0.5
65.03939	9.2
66.04287	0.6
67.05506	19.5
68.05827	0.7
69.03440	2.8
69.07066	3.2
69.41702	1.3
69.42109	2.3
77.03939	0.6
78.04713	0.5
79.05497	11.1
79.15651	0.6
80.06278	2.1
81.03415	2.3
81.07057	27.3
82.07360	0.6
83.04976	1.2
85.02872	0.7
91.05482	100.0
92.05811	4.0
93.07045	9.4
95.04969	14.5
95.08607	15.9
103.05460	1.3
105.04539	1.3
105.07031	17.7
106.07372	0.8
107.04954	2.9
107.08592	15.4
108.02097	2.1
108.05743	8.4
109.02890	1.5
109.06525	20.4
109.09448	0.9
109.10156	11.1
119.04943	45.5
120.05272	1.5
121.06454	0.9
121.10165	0.8
123.04453	4.4
123.08075	21.5
123.11710	9.8
131.08586	0.8
133.06505	2.7
133.10132	6.8
136.05196	17.2
137.05994	3.3
141.05478	0.9
141.09111	1.0
151.02850	1.1
151.03899	10.7
151.05009	3.5
151.07542	51.3
151.11176	19.3
152.07887	2.1
152.11563	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
53.03939	1.2
57.35797	0.5
65.03941	7.3
67.05507	3.2
69.03434	1.1
69.26146	3.4
71.44734	0.5
79.05499	2.6
80.06272	1.3
81.07066	2.7
91.05479	100.0
92.05790	3.3
93.07046	2.6
95.04969	7.4
95.08611	2.8
98.22665	1.1
105.04627	0.6
105.07028	3.8
107.04965	1.0
107.08595	1.4
108.02099	1.1
108.05759	3.6
109.06509	2.0
109.10143	1.7
118.04182	0.6
119.04942	48.0
120.05292	1.8
121.04028	0.8
123.04440	1.4
123.08041	3.8
133.10056	0.7
136.04185	1.0
136.05197	11.0
137.05992	4.7
137.40494	0.6
137.87476	0.5
141.05527	0.9
151.02827	0.9
151.03900	7.4
151.05025	2.8
151.07542	43.7
151.11194	1.4
152.07945	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
53.03943	1.2
55.01867	0.7
65.03940	6.9
67.05504	2.7
69.07059	0.6
71.31396	0.7
79.05498	3.1
79.77725	0.5
80.06279	1.7
81.07071	1.5
83.78155	0.6
91.05482	100.0
92.05819	4.4
93.07034	1.6
95.04969	8.5
95.08609	2.3
103.05483	1.0
105.07032	1.8
106.36860	0.7
107.04938	1.1
108.05733	5.5
109.06517	1.3
109.10159	0.8
119.04945	48.0
120.05280	2.2
123.04438	2.5
123.08085	2.7
136.05203	13.2
137.06039	3.5
151.02896	0.7
151.03943	3.8
151.07544	49.1
151.11139	1.4
152.07907	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03938	3.6
55.01863	1.5
55.05513	11.9
57.03439	2.9
57.07067	4.3
57.45288	0.9
59.04992	2.1
65.03934	4.1
67.05508	30.0
68.05824	1.1
69.03419	4.0
69.07072	6.1
69.37644	6.4
71.04993	2.5
73.68221	1.0
77.03911	1.3
79.05491	24.7
81.03428	1.9
81.07055	100.0
82.07385	3.0
83.04979	1.2
91.05479	43.4
92.05820	2.1
93.07046	45.3
94.07361	2.1
95.04972	14.6
95.08601	23.5
96.08907	1.1
98.23334	1.1
103.05438	1.5
105.04579	1.3
105.07030	75.4
106.07360	3.7
107.07854	1.5
107.08593	31.3
107.56445	0.9
108.08926	1.6
109.06517	39.1
109.10155	31.4
110.10601	1.0
111.19521	0.8
115.05428	3.0
117.06994	2.4
118.07829	1.6
119.04984	1.3
119.06075	1.4
121.06513	1.3
121.10147	5.1
123.04440	3.1
123.08073	17.6
123.11709	18.3
124.12044	1.3
127.07510	0.9
131.08574	9.9
133.10127	55.7
134.10472	3.5
136.08820	2.5
151.03911	2.4
151.07614	2.3
151.11180	98.8
152.11514	5.4
160.99118	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	Car-3-en-5-one
Peak:m/z	Relative Intensity
53.03939	2.0
55.01862	1.8
55.05504	7.0
57.07064	4.9
59.04995	5.9
64.09155	1.4
65.03938	1.7
67.05511	22.1
69.03419	5.5
69.07071	100.0
69.15102	7.9
69.15520	4.8
70.07401	2.6
71.04970	1.7
77.14812	1.6
79.05486	9.5
81.03419	1.9
81.07058	75.9
82.07397	2.8
87.84542	1.7
91.05479	8.4
93.07037	8.0
95.04962	13.5
95.08607	15.8
96.98875	1.9
105.07017	9.5
107.08595	11.7
108.05736	1.9
109.06532	27.3
109.10152	17.2
121.10168	2.3
123.04429	1.5
123.08114	9.1
123.10809	2.1
123.11710	38.2
133.10109	5.6
151.03917	3.1
151.07549	5.7
151.11188	37.4
152.11494	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	(+)-Sabinone
Peak:m/z	Relative Intensity
53.03933	3.8
55.01872	2.2
55.05509	11.4
57.03426	4.0
57.07070	7.3
59.04993	3.0
65.03932	3.5
67.05502	38.6
69.03419	7.5
69.07066	18.5
71.04976	2.1
71.08606	1.2
71.29970	1.5
77.51050	1.2
79.05492	27.0
80.06286	2.0
81.03423	2.3
81.07054	100.0
82.07393	3.0
83.04992	1.6
91.05481	33.8
92.05788	1.2
93.07049	24.8
94.06601	1.1
95.04971	13.5
95.07983	1.2
95.08600	30.4
105.07027	37.4
106.07330	1.5
107.04954	15.8
107.08596	50.9
108.05766	8.5
108.08920	1.5
109.06516	60.9
109.10149	41.9
110.06789	1.3
110.10522	3.2
117.07084	1.8
119.04961	3.2
121.06494	1.2
121.10120	3.4
123.04417	3.0
123.08076	21.6
123.11704	35.4
124.12049	1.8
127.07539	3.0
131.08557	1.6
133.06477	6.0
133.10126	25.8
135.04398	4.0
136.05168	4.1
151.03940	2.8
151.07542	44.7
151.11186	59.8
152.07979	1.6
152.11545	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0568
Annotation	guanine
Peak:m/z	Relative Intensity
55.03003	0.4
55.44096	0.3
57.03436	1.7
58.99856	0.3
59.62479	0.2
61.07401	0.3
65.03946	1.3
67.05497	0.6
69.03435	0.6
69.66145	0.6
69.66554	1.0
70.99861	0.6
71.04970	0.3
78.53002	0.3
79.05500	0.5
81.03430	0.5
82.04066	0.4
85.01393	0.6
85.02904	0.7
87.01904	0.3
88.02684	0.3
89.00898	0.3
91.02468	1.1
92.05002	6.3
93.05753	1.3
94.06614	0.5
97.01401	0.6
97.02914	1.2
99.52860	0.3
100.02493	0.7
101.00893	1.1
102.04217	0.3
103.02453	1.1
106.06552	0.9
107.03634	0.3
107.04990	1.0
107.07349	0.3
108.08177	0.4
109.05128	1.5
110.02254	0.4
110.03523	9.7
110.06038	7.8
115.02454	1.7
116.02474	0.3
117.04009	0.6
118.03492	0.3
119.01920	2.3
122.06018	2.9
123.06834	0.7
124.03964	0.5
124.07595	0.6
125.04758	1.2
128.04556	3.1
128.05429	0.3
129.03973	0.9
131.01984	0.5
132.05063	0.3
133.02573	0.4
133.03458	1.7
134.03705	0.5
134.04665	0.8
134.06029	2.6
135.03023	16.0
135.05144	0.6
136.01422	0.4
136.03368	0.4
136.26027	0.3
138.05551	0.8
140.04970	0.3
142.03526	0.3
145.03438	0.6
147.01408	1.0
147.05017	1.9
149.03740	0.4
152.05702	65.0
152.07074	100.0
153.04073	20.7
153.06053	1.2
153.07420	4.3
154.02481	0.5
161.03047	0.3
161.06644	0.8
163.73859	0.3
165.06238	0.3
165.07890	0.3
170.03027	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	(+)-trans-p-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03939	2.1
55.05512	15.0
57.03432	3.4
57.07064	1.3
59.05009	9.4
65.03906	3.1
67.01849	3.9
67.05504	30.9
68.05827	1.7
68.99789	3.2
69.03438	9.1
69.07068	35.5
69.20184	10.8
70.07395	1.7
71.04987	18.2
73.06544	2.9
75.66795	1.3
79.05489	16.0
81.07055	26.9
81.34592	1.3
83.04974	8.7
83.08611	6.2
86.49390	1.4
91.05464	9.4
92.89815	1.4
93.03394	1.7
93.07043	48.6
94.07363	1.6
95.04980	4.3
95.08607	36.3
97.06528	28.7
100.34808	1.3
105.07030	4.2
107.08590	75.0
108.08899	4.6
109.06509	13.2
109.10151	100.0
110.10529	3.4
111.04430	4.8
111.08070	10.5
119.06072	1.7
119.08587	3.0
121.02901	9.8
125.05930	2.2
125.09610	2.2
135.08083	2.4
135.11693	42.7
136.12007	2.5
139.03920	1.7
148.97395	3.4
153.01825	51.3
153.05472	2.4
153.06940	1.4
153.09077	4.5
153.12740	64.5
154.02184	2.5
154.13098	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.42781	1.4
53.03929	4.1
55.05513	16.4
55.78967	1.7
59.04997	9.0
60.79378	1.5
65.03940	2.0
67.01858	2.4
67.05491	9.3
68.99801	2.2
69.01761	15.6
69.03429	4.0
69.07070	13.9
71.04996	35.5
73.06554	23.1
79.05500	27.6
80.05817	2.0
81.07058	100.0
82.07400	3.0
83.04986	3.2
83.08618	2.5
85.03516	1.5
91.05476	11.7
93.07039	42.2
95.04976	6.2
95.08607	8.1
97.06545	6.9
98.22548	3.2
100.30438	1.9
105.07030	3.5
107.08592	37.1
109.10166	7.8
111.04479	3.4
111.08080	5.8
125.05987	2.3
135.11682	19.2
153.01822	29.1
153.05455	3.5
153.09059	2.0
153.12769	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03941	3.6
55.01878	1.8
55.05320	1.4
55.05511	15.9
55.82762	1.5
57.03420	4.5
57.07066	7.0
59.04999	22.8
65.03943	2.8
67.05502	24.3
69.03419	5.9
69.07069	41.9
69.28926	12.5
71.04993	40.2
73.06541	10.7
79.05493	19.6
81.07056	100.0
82.07392	2.1
83.04984	8.2
83.08620	9.2
88.02426	1.5
91.05484	13.3
93.07041	66.9
94.07357	3.0
95.04988	2.9
95.08604	66.7
96.08930	3.6
97.06528	65.5
98.06882	2.3
103.18034	1.7
105.04475	2.5
105.07056	3.2
107.08590	87.3
108.08920	3.6
109.06517	3.4
109.10155	71.8
109.10905	3.7
110.10480	2.0
111.08081	13.9
119.08616	3.1
125.13251	1.5
135.11688	48.6
144.33907	1.8
153.01836	2.2
153.05415	3.0
153.12747	66.0
154.07835	2.0
154.13071	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	p-Mentha-1,8-dien-4-ol
Peak:m/z	Relative Intensity
52.24400	0.9
52.56449	1.0
53.03937	2.3
55.01864	1.8
55.05510	10.6
57.03431	4.3
57.07074	2.4
59.09732	1.0
63.30820	0.9
64.08858	0.9
65.03941	1.6
67.05505	30.2
68.05816	1.1
68.96305	1.1
68.99258	1.0
69.03407	2.9
69.07068	51.7
69.37359	4.3
69.37780	2.4
69.99518	0.9
70.07393	1.2
70.95860	1.1
71.04995	1.8
71.95270	11.6
73.06561	1.0
79.05490	27.8
80.58735	0.9
81.06580	2.4
81.07056	39.7
82.05015	1.0
82.07389	1.5
83.04981	6.6
83.08618	6.8
85.06538	2.1
91.05473	5.8
93.07040	49.9
94.07360	1.5
95.04954	2.3
95.08609	19.0
97.06532	20.0
97.08618	1.0
100.14915	1.0
105.93819	1.0
107.08591	49.9
108.08913	2.1
109.10154	36.9
111.08076	7.1
111.11716	1.3
125.06008	1.1
135.11691	100.0
136.12051	5.6
148.97292	1.5
153.05412	2.9
153.07405	2.2
153.09219	2.0
153.12743	83.7
154.05032	1.5
154.13063	3.9
154.15877	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03949	3.0
55.05511	13.7
57.03429	2.3
57.07072	1.5
59.05006	10.5
60.45136	1.4
65.03931	1.9
67.05510	6.4
69.03445	1.7
69.07069	14.5
70.50351	3.1
71.04997	34.8
73.06556	25.2
79.05495	29.2
81.07058	100.0
82.07404	3.1
83.04979	1.8
91.05490	9.3
93.07048	44.9
93.07632	3.2
95.04987	3.1
95.08597	10.3
97.06523	10.3
105.07054	3.3
107.08599	40.2
108.08949	1.9
109.10180	7.6
111.08085	8.3
125.05928	1.5
135.11691	22.9
153.12721	11.9
163.09563	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03946	3.6
55.05522	28.9
59.05001	8.6
65.03941	6.7
67.05512	9.3
69.03421	3.1
69.07065	48.7
71.04991	36.1
71.14661	5.5
73.06555	24.1
74.47035	2.6
79.05495	32.2
81.07059	100.0
81.07526	6.1
82.07391	2.9
82.67837	2.5
83.04973	4.9
91.05489	10.9
93.03415	4.0
93.07057	45.5
95.04964	17.0
95.08614	11.7
97.06532	10.9
105.07027	7.9
107.08597	42.1
108.08928	3.4
109.06534	3.4
109.10177	11.2
111.04456	5.8
111.08091	11.1
125.05999	4.4
125.09667	3.9
135.04451	13.1
135.11674	23.6
153.05487	5.9
153.06889	3.6
153.09142	3.2
153.12772	17.1
154.08635	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00306	1.9
53.03951	3.2
55.05511	13.7
57.07059	1.9
59.04992	6.7
67.01852	2.4
67.05494	6.6
68.99791	3.4
69.03426	3.0
69.07059	10.6
69.58877	9.7
71.04995	30.9
73.06551	20.2
76.11585	1.6
79.05495	29.8
81.07058	100.0
82.07388	3.8
83.04916	1.7
91.05501	8.5
92.90472	1.7
93.07047	37.4
95.04993	1.9
95.08618	9.0
97.06517	6.3
99.41973	1.6
107.08596	33.2
108.08949	2.1
109.10159	4.5
111.08079	5.9
119.08566	2.8
124.62764	1.5
135.11697	20.6
153.00545	1.9
153.01830	40.3
153.12778	7.4
154.02113	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.64504	0.8
53.03943	2.1
55.01869	1.3
55.05517	7.7
57.03426	4.0
57.07068	2.7
59.04990	3.1
65.03933	2.5
67.05504	14.2
68.96322	1.1
69.03420	2.6
69.07069	15.3
69.45071	6.1
70.07417	0.9
70.94250	1.1
71.05003	5.0
73.06544	1.6
79.05492	14.5
81.07053	22.7
82.07382	1.1
83.04980	13.0
83.08614	3.7
85.06574	0.9
91.05474	11.0
92.06229	0.8
93.03408	1.6
93.07043	69.6
93.85266	0.8
94.07361	2.1
95.04951	3.6
95.08607	56.1
96.08932	1.5
97.06530	20.4
98.22585	1.7
105.07055	5.0
105.07658	1.1
107.08593	100.0
108.08925	3.8
109.10157	27.9
110.03694	0.9
110.10509	1.5
111.04442	1.8
111.08081	5.3
119.06024	1.5
119.08570	1.4
125.06049	0.9
130.96320	1.6
134.81601	0.8
135.11699	40.6
136.11990	2.3
148.97408	1.3
153.01828	7.0
153.05469	4.6
153.07002	0.9
153.09122	1.6
153.12730	24.7
163.79485	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00290	2.2
53.03940	5.8
55.01870	4.8
55.05268	2.5
55.05511	25.6
57.03428	4.6
57.07064	4.2
59.05000	8.0
65.03936	7.7
67.05504	24.4
68.96313	1.7
69.03432	7.3
69.07068	33.6
69.95263	1.4
70.82327	2.2
70.94250	1.9
71.04993	29.2
73.06551	17.7
77.03924	1.5
77.25433	1.4
79.05495	45.1
80.05826	2.2
81.03406	1.4
81.07055	100.0
82.07384	3.2
83.04989	9.5
83.08615	4.8
85.06533	2.5
90.32896	1.3
91.05478	23.8
93.03413	3.2
93.07040	62.8
94.07365	1.6
95.04971	21.8
95.08606	18.1
97.02901	2.1
97.06519	20.1
105.07031	9.5
107.04947	4.4
107.08591	80.2
108.08929	3.7
109.06518	6.9
109.10154	31.0
110.03646	6.5
111.04446	7.4
111.08085	20.9
117.06989	1.8
119.06097	1.6
119.08587	4.8
121.02879	3.9
125.05996	4.8
125.09634	9.9
130.96339	2.5
134.05968	1.2
135.08052	8.0
135.11688	28.4
136.07605	4.3
138.03133	4.8
148.97385	2.1
153.01862	5.8
153.05446	17.8
153.06729	1.6
153.07254	1.4
153.09109	11.5
153.12732	19.2
154.08612	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	(+)-cis-p-Mentha-1(7),8-dien-2-ol
Peak:m/z	Relative Intensity
53.03947	3.3
55.05241	2.1
55.05512	34.4
56.81531	1.5
57.03421	4.2
57.07076	3.5
59.05001	15.2
59.93548	1.4
65.03932	4.4
67.05504	24.4
68.96326	2.3
69.03429	8.4
69.07070	100.0
70.07374	2.7
70.94235	2.4
70.95863	1.6
71.04989	8.1
79.01856	1.3
79.05492	28.2
81.07062	34.3
83.04969	8.6
83.08616	9.2
85.06535	4.3
87.29917	1.3
91.05475	11.8
93.03412	3.0
93.07040	43.1
95.04963	6.2
95.08055	2.8
95.08612	41.1
97.06532	23.9
98.06895	1.9
105.04504	1.6
105.07008	5.5
105.37186	1.7
107.04954	45.4
107.08595	51.4
108.05268	2.6
109.06515	2.3
109.10156	58.8
111.04458	6.1
111.08104	7.7
111.11720	2.0
119.08572	2.7
123.11705	2.2
125.05968	2.5
130.96317	3.5
135.04419	20.0
135.11687	26.5
144.96362	1.7
148.97360	5.5
153.01830	3.9
153.04382	1.7
153.05466	7.1
153.09146	3.0
153.12743	47.2
164.45291	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Junionone
Peak:m/z	Relative Intensity
53.03925	3.8
55.05509	14.8
57.03435	14.4
57.07070	3.3
59.04998	5.4
65.03935	5.6
67.05500	34.2
68.99812	2.0
69.03431	5.8
69.06725	2.3
69.07068	32.6
70.17646	3.0
70.18039	2.7
70.94247	1.5
70.95867	2.2
71.04982	6.9
71.95264	4.3
77.44258	1.3
79.05489	18.5
81.06577	3.1
81.07057	49.9
82.07406	1.6
83.04967	9.1
83.08608	5.4
84.86873	1.4
85.06526	1.6
91.05480	14.6
92.90625	1.3
93.03396	4.0
93.07045	50.0
93.07631	3.0
94.07375	1.6
95.04984	5.5
95.08604	45.5
96.08949	1.8
97.06531	16.1
98.06116	1.5
105.04466	1.7
105.07027	4.4
107.08597	54.2
107.19415	1.5
108.08941	2.2
109.06517	1.8
109.10155	100.0
110.03713	1.5
110.10502	3.9
111.04430	5.9
111.08073	5.5
111.11712	3.4
120.36219	1.4
123.11644	1.9
125.05995	3.3
126.72684	1.6
130.96297	2.0
135.11700	27.4
148.97362	3.8
153.05453	4.3
153.06696	1.7
153.09113	3.8
153.12732	24.1
154.04977	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
55.01863	1.8
55.05506	3.4
65.03943	45.3
67.05512	6.5
68.02647	1.3
68.96345	0.8
69.07069	1.2
69.80677	3.5
71.01363	1.5
71.04986	1.0
72.93796	1.7
79.01850	1.3
79.05518	1.5
81.03404	4.6
81.07051	2.4
83.04977	3.6
90.94833	0.9
91.05479	0.9
93.03407	39.2
95.04961	2.5
96.02119	5.1
97.06540	0.9
98.98454	0.9
99.04474	0.9
107.01312	2.4
108.08885	1.0
109.02882	7.9
109.06502	0.9
109.10152	5.6
111.04443	41.4
112.04793	1.2
113.96386	1.0
121.03983	1.9
121.94400	0.8
122.03160	1.1
124.05231	4.9
125.06027	1.0
131.96135	0.9
136.07573	2.8
137.02306	1.0
137.09625	1.0
137.15175	0.7
139.03903	100.0
140.04233	3.4
153.06885	1.2
154.06245	68.0
155.06711	3.2
155.08528	1.5
155.10599	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0703
Annotation	2,6-Dimethoxyphenol
Peak:m/z	Relative Intensity
53.03950	0.7
55.01865	2.3
55.05514	1.0
55.93532	0.4
65.03952	3.4
67.05508	3.0
69.03426	0.7
69.22900	1.8
69.23323	1.4
69.96165	0.4
70.95863	5.9
72.93794	5.9
80.02625	2.3
81.03426	1.2
81.07036	0.9
83.04975	1.2
88.96905	1.0
91.05476	0.5
94.04203	2.1
95.04973	52.4
96.05309	1.2
97.02892	2.2
97.06540	0.6
98.03667	0.8
98.16529	0.4
98.98471	0.6
99.04454	1.2
99.48573	0.4
108.02081	1.9
109.02221	0.5
109.02899	7.8
110.03662	0.9
111.04430	3.1
111.98488	1.9
112.05242	2.4
113.06018	0.6
113.96441	0.8
123.04436	100.0
124.05244	41.8
125.02357	1.9
125.05516	0.7
125.05992	1.2
127.03901	0.7
127.07563	1.0
129.99522	0.8
131.96143	1.4
132.95834	8.8
138.05542	0.5
140.04706	6.0
141.05507	2.8
149.97166	1.2
150.96902	10.7
155.07034	35.6
156.07382	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1066
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03938	2.2
55.01862	2.1
55.05513	23.5
57.03426	5.4
57.07063	4.4
59.04991	6.2
62.83216	1.2
65.03933	3.4
67.05505	88.9
68.05853	1.7
69.03425	6.5
69.07073	7.3
69.17905	9.9
69.96161	2.0
70.95864	14.3
71.01337	2.4
71.04993	80.5
72.05311	1.7
72.93784	15.3
73.02904	1.5
78.50366	1.3
79.05493	5.8
81.07058	52.9
83.04977	5.2
85.06538	4.3
88.96903	2.3
90.94801	2.6
91.05485	4.7
93.07046	14.1
95.04965	16.8
95.08607	78.9
96.08947	2.3
97.06521	6.1
98.98453	1.7
99.04453	64.8
99.08087	3.1
100.04778	1.7
107.08581	4.9
109.06484	2.7
109.10152	100.0
109.28003	1.4
110.10488	3.4
111.04420	3.6
111.08078	5.5
111.98465	4.6
113.05989	8.9
113.09630	1.3
113.96399	2.6
119.08618	2.6
123.04462	3.7
127.07513	1.5
129.99487	1.4
131.96185	1.7
132.95831	14.9
137.09633	9.9
137.13268	1.9
150.96890	19.3
155.07013	7.3
155.08400	3.3
155.10622	6.5
163.76877	1.4
173.98535	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1066
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03939	3.4
55.01872	2.1
55.05511	13.9
57.03438	7.9
57.07077	2.6
65.03930	2.9
67.05506	92.5
68.05830	2.3
69.03426	14.7
69.07057	7.9
69.71866	3.4
69.72276	2.1
70.95867	7.5
71.04993	20.5
72.93802	7.6
79.05489	11.3
81.07057	57.0
82.07384	1.3
83.04979	4.8
83.08611	1.2
85.06538	6.8
88.75188	1.2
90.94816	1.6
91.05470	2.6
93.07042	4.2
95.04971	11.9
95.08608	21.3
97.06529	9.8
98.22640	1.1
98.98445	1.3
99.04462	15.4
99.08101	6.4
102.42927	1.0
103.71655	1.3
107.08604	4.1
109.06550	3.8
109.10159	100.0
110.10516	4.5
111.04424	1.1
111.98480	2.2
113.06017	3.7
113.96388	1.7
119.08590	3.0
123.04446	1.9
125.64858	1.3
132.95824	8.6
137.09633	9.8
141.07005	2.9
150.96886	9.2
153.07028	1.7
155.07051	2.8
155.08591	4.8
155.10663	4.0
156.02972	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1067
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03942	9.1
55.01868	4.7
55.05513	36.2
55.93530	2.2
56.05843	2.4
57.03449	8.6
57.07072	5.9
59.05001	6.2
59.34224	1.9
60.24601	1.7
65.03939	12.2
67.05505	100.0
68.05827	3.2
69.03420	6.5
69.07072	18.5
69.96192	4.0
70.95866	52.7
71.01362	19.2
71.04993	83.6
71.29244	2.3
72.93787	56.2
75.25737	1.9
79.05481	9.2
81.03427	5.2
81.07056	64.9
82.07378	4.6
83.04982	15.9
83.08633	3.2
85.06564	6.7
88.96905	12.6
90.94833	14.0
91.05482	4.3
93.03383	3.1
93.07028	11.8
95.04971	54.3
95.08606	76.7
96.05283	3.1
97.06531	5.5
98.98458	3.1
99.04456	51.8
99.08099	5.9
105.04498	3.6
107.08609	4.4
109.06503	13.1
109.10152	94.0
110.10520	9.1
111.04433	11.3
111.08073	8.7
111.98464	18.9
112.08362	2.6
113.06007	12.2
113.09614	2.5
113.96424	8.2
114.94714	2.0
119.08579	4.4
123.04433	17.9
125.02364	6.9
127.07583	5.2
129.99536	5.6
131.96165	7.1
131.97437	6.1
132.95830	60.2
132.96786	3.6
137.09602	11.4
137.13268	3.4
140.04677	17.7
149.97189	15.0
150.96892	88.8
155.03435	2.4
155.05917	3.2
155.07037	21.0
155.08424	2.8
155.10651	9.9
155.97421	4.5
156.08197	2.9
168.97997	1.9
173.98537	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1066
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
51.46605	0.7
53.03947	2.6
55.01860	0.9
55.05508	14.4
55.64750	0.8
57.03439	5.2
57.07072	3.9
59.05008	0.8
63.79438	0.8
65.03929	2.7
67.05504	91.4
68.05820	2.4
69.03083	1.3
69.03429	18.1
69.07072	9.0
70.95871	3.9
71.04996	18.4
71.29221	1.1
72.93784	3.8
79.05486	8.5
81.07056	58.5
82.07380	1.1
83.04973	2.6
83.08598	1.0
85.06533	6.3
85.61755	0.9
90.94787	0.9
91.05477	1.6
93.07021	4.4
95.04961	9.1
95.08605	20.1
97.06527	12.9
99.04450	14.1
99.08094	8.5
102.36875	0.8
107.08587	4.6
109.06514	2.0
109.10152	100.0
110.10482	4.4
111.04452	1.6
111.98481	1.0
113.05998	2.8
113.96434	1.0
115.05458	0.9
119.08573	2.5
123.04430	2.0
124.46108	0.9
131.97452	1.2
132.95833	5.1
137.09613	6.5
140.04655	0.8
140.68411	1.0
141.06979	1.4
150.96890	5.5
155.07036	3.4
155.08549	4.6
155.10686	2.4
156.09381	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0422
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
54.84979	1.4
69.20718	1.5
70.29368	4.6
74.09717	20.0
92.68951	1.4
93.47095	1.4
96.96922	5.7
110.07185	1.8
112.05262	10.6
130.06308	25.1
132.02013	4.8
133.01669	4.1
133.03477	3.8
145.81406	1.9
156.04225	100.0
157.04593	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.2
55.52583	0.3
57.03442	0.5
58.99881	0.5
67.05526	0.7
69.37392	1.8
70.95868	0.7
72.93805	0.8
74.09722	2.5
82.01439	0.4
82.99839	3.7
83.06123	1.0
85.01392	0.4
88.96871	0.4
93.04559	0.4
96.96903	0.5
98.22575	0.5
100.02487	1.5
101.00886	41.5
102.00950	2.4
103.00722	0.4
103.02424	0.6
106.76012	0.3
110.07172	6.3
112.05283	1.0
114.01006	0.4
114.04011	0.4
115.00645	0.8
115.02457	1.2
119.01925	100.0
120.02005	6.3
121.03512	0.4
124.02451	4.0
125.02446	0.4
128.76851	0.4
130.06316	3.0
131.01892	0.5
132.02060	1.8
132.05077	2.0
132.95831	1.3
133.01645	1.3
133.03481	5.8
137.02962	21.3
138.03070	1.3
142.03508	41.2
143.03644	2.7
145.65135	0.3
147.03827	0.7
147.92566	0.4
150.06065	0.5
150.96918	1.6
151.04559	1.3
156.03006	0.7
156.04196	12.3
157.04524	0.6
160.04558	10.3
165.05058	0.8
174.06104	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93531	2.8
62.13662	0.7
65.03944	13.9
67.05504	100.0
68.05840	3.0
69.07051	1.0
69.33549	4.8
70.95864	51.5
72.93787	37.4
73.93822	0.7
76.01463	0.7
82.06592	2.6
83.04994	1.6
86.09679	1.4
88.25969	0.7
88.96903	9.3
90.94826	7.6
92.05047	4.0
93.07063	1.0
95.04974	30.6
96.05316	2.9
97.06558	1.0
98.23323	1.1
106.97964	0.8
110.06048	5.2
110.07189	1.2
111.05568	0.9
111.98474	15.9
113.96426	1.6
114.94814	1.4
115.96467	0.9
120.04482	3.3
124.04801	1.3
126.02695	1.9
129.07037	1.0
129.99512	6.1
132.95834	54.6
133.96040	1.3
138.05499	79.8
139.05843	2.7
141.05019	8.0
142.07794	1.6
150.96886	84.1
151.97122	1.8
155.97418	4.3
156.06512	0.8
156.10248	0.9
157.10158	0.8
168.97963	1.7
173.98447	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0813
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
51.81551	0.6
53.03952	0.9
55.01878	5.4
55.05503	1.3
56.41487	0.6
56.96300	1.1
56.96570	14.3
57.03434	1.6
57.07067	1.7
57.93567	8.7
59.20893	0.7
65.03941	0.7
67.05507	3.2
68.05016	1.1
69.03425	1.8
69.07070	8.1
69.28699	3.5
70.06597	58.9
70.60605	0.6
71.04996	2.1
71.06922	1.3
71.95273	4.9
72.08157	1.1
75.28345	0.7
75.84308	0.6
75.94614	3.3
77.06059	0.7
81.03416	1.4
81.05801	2.3
81.07040	0.7
83.04976	1.1
84.04517	7.0
85.02921	0.7
86.06088	0.9
89.03926	1.0
90.85219	0.6
93.95655	2.1
94.06574	24.5
95.04972	2.1
95.06895	0.7
95.07365	6.5
95.08611	2.5
96.04494	24.6
96.08141	8.7
97.02916	1.7
97.06554	0.8
97.99182	0.9
98.06060	28.5
98.77155	0.7
98.97589	86.1
99.04464	1.0
99.97947	0.6
102.09182	4.5
103.05482	2.0
112.02213	0.9
112.06823	0.8
112.07611	18.2
112.11244	3.7
113.06019	2.0
114.05534	25.2
116.00260	0.8
116.07089	9.3
116.97269	29.7
116.98620	63.5
117.98955	1.3
122.06039	7.9
126.02760	0.7
130.06535	2.8
131.04979	2.3
131.08594	1.5
131.99504	2.0
134.95912	2.0
134.99666	30.9
138.05508	2.4
139.98813	0.7
140.07069	100.0
141.05550	0.9
141.07431	5.0
142.06575	0.8
148.96217	2.7
149.06615	0.7
152.96916	11.9
153.00726	3.5
158.01352	1.3
158.06090	1.7
158.08167	25.3
158.09648	4.6
158.11842	2.4
158.15422	7.0
159.11746	1.6
170.98026	1.5
173.38297	0.7
175.98578	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05019	1.0
68.78966	0.8
69.93060	2.1
70.06593	100.0
71.04999	3.9
71.06936	3.8
76.65201	0.7
85.07662	2.7
95.06101	2.9
97.07681	1.1
98.06033	1.5
98.22711	0.9
99.01915	1.2
99.04497	1.6
104.37968	0.7
112.08729	77.7
113.07151	4.9
113.09090	1.5
115.08637	1.9
116.07089	20.8
119.01929	1.0
141.06593	6.1
142.06738	0.8
158.09251	96.3
159.07706	1.2
159.09555	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22700	0.7
60.30206	0.8
68.05011	1.5
69.72361	2.9
69.72774	1.5
70.06596	100.0
71.04990	3.3
71.06924	4.0
75.87804	0.8
77.86878	0.8
83.06059	0.7
85.07659	2.4
95.06078	4.9
98.06046	1.5
99.01926	0.9
99.04471	1.2
112.08734	83.9
113.07113	5.1
113.08394	1.0
113.09096	1.3
115.08671	2.8
116.07102	20.8
125.97106	0.8
140.08192	0.8
141.06581	5.2
157.72887	0.8
158.09259	96.9
159.07686	1.6
159.09595	2.5
169.29277	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0806
Annotation	1-Methoxynaphthalene
Peak:m/z	Relative Intensity
53.03960	0.9
56.96563	4.7
58.64198	0.6
59.93118	1.3
65.03957	0.6
69.14229	5.2
70.06581	1.0
71.05006	0.9
71.95258	1.1
79.05494	0.7
81.07061	1.0
81.30911	0.6
90.67329	0.6
91.05485	64.4
92.05828	2.3
97.06547	0.7
98.97588	16.9
99.97956	1.2
103.05490	3.8
105.07024	3.9
112.05128	0.7
115.05460	13.7
116.06248	24.4
116.98631	12.8
117.05735	2.0
117.07082	1.3
117.98947	1.6
118.96784	4.6
119.01926	0.9
128.06250	1.4
128.76247	0.7
129.07001	17.9
130.07780	0.9
131.04944	4.2
131.08571	100.0
132.08064	3.8
132.08939	4.9
133.06468	1.5
134.99664	7.3
135.99988	0.9
141.07010	6.6
142.03563	0.9
143.06027	0.8
143.07384	0.9
144.05710	12.9
144.09338	1.5
150.95705	0.8
153.00671	1.0
154.96449	1.4
157.06516	1.1
159.04440	1.4
159.06880	2.6
159.08052	56.0
159.11633	5.0
159.15660	1.0
160.07500	18.9
169.07646	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0917
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
53.03955	0.4
54.17842	0.3
55.05515	0.5
56.96551	0.6
59.93104	0.4
67.05489	0.7
71.09663	0.6
79.05470	0.4
81.04560	0.5
81.07058	1.3
91.05480	2.8
92.05013	0.4
93.05807	0.5
95.08616	0.8
98.97578	3.7
99.97884	0.5
103.05484	0.9
105.07025	4.3
115.05454	13.7
116.04951	1.0
116.05702	0.5
116.98624	2.5
117.05759	16.7
117.06994	2.7
118.06599	3.4
118.96796	0.8
119.08582	1.3
129.07005	2.2
130.06529	26.1
131.04955	1.2
131.06931	1.4
131.08562	6.4
132.08086	100.0
133.08446	4.1
134.99677	0.6
140.04959	0.8
141.06999	0.4
141.09113	0.4
142.06522	19.5
143.07216	1.4
144.05753	0.6
144.06752	0.4
144.09341	3.4
150.95549	0.4
157.10115	0.5
158.08366	2.0
159.08138	3.0
159.09172	78.4
159.11623	9.3
160.05174	1.8
160.07576	14.9
160.09563	3.5
160.12010	0.5
171.19006	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0917
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
53.03970	0.4
54.73978	0.4
55.01873	1.4
55.05526	0.3
56.96564	8.5
57.07078	0.5
57.93554	0.5
58.07412	0.4
59.93108	3.0
61.02917	2.2
61.13049	0.3
67.05494	1.2
69.07073	0.7
69.74509	1.9
70.06587	6.2
71.01344	4.8
71.04991	4.6
71.06325	0.8
71.06924	6.5
71.95266	2.2
72.04503	0.4
72.08160	1.0
73.95675	0.5
75.04486	3.3
76.93359	0.4
77.94175	0.7
79.05499	0.4
85.02906	1.0
86.09725	0.5
87.04473	1.9
88.07610	0.4
91.05479	2.5
93.05795	0.9
95.04959	1.7
95.95202	0.6
97.70507	0.4
98.97580	25.1
99.04475	1.4
99.97894	1.8
101.00877	1.6
103.03927	1.8
103.05447	1.2
105.07033	3.0
112.07607	0.6
113.02365	0.9
113.06002	2.7
113.07935	3.1
113.11552	1.4
114.05524	0.8
114.09165	1.1
115.05450	17.1
115.45113	0.3
116.04961	1.3
116.07066	0.6
116.97236	1.3
116.98619	27.6
117.05759	19.4
117.06989	1.2
117.07565	0.6
117.97597	0.5
117.98973	1.7
118.03509	0.9
118.06601	2.7
118.96764	8.3
119.01905	5.4
119.08583	1.1
119.25143	0.3
129.06996	1.2
130.06522	31.5
131.04941	1.4
131.06029	1.0
131.07042	1.2
131.08559	4.0
132.04457	2.5
132.08084	100.0
133.06396	0.5
133.08437	4.0
133.99086	0.8
134.99649	20.5
135.96976	0.4
135.99994	1.6
136.04544	1.0
136.95432	0.5
137.00092	0.4
137.02946	1.8
140.00175	0.4
140.04932	1.4
141.01863	0.7
141.05458	1.4
141.07298	0.5
142.03487	4.6
142.06511	19.4
143.07236	1.3
144.04433	3.0
144.09314	1.7
150.95715	1.1
152.97043	0.4
153.00687	3.7
153.96698	0.8
154.96426	3.1
158.08391	1.6
159.06850	2.6
159.09164	77.8
159.11565	6.4
159.15712	1.1
160.04602	5.1
160.07568	31.8
160.09517	3.6
161.07944	0.6
172.97516	0.6
177.97929	0.4
178.05623	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.5
55.01870	3.4
55.05517	9.7
56.96568	16.5
57.03413	1.6
57.93565	1.7
59.05001	2.5
59.93102	6.7
63.33157	1.1
65.03916	1.7
67.05179	1.5
67.05510	17.6
69.03426	1.9
69.07065	4.3
71.04993	16.4
71.30053	1.7
71.95264	5.6
72.08160	1.4
72.87064	1.3
73.06538	1.6
76.93363	2.4
79.05500	5.7
81.07060	22.3
83.04999	11.3
83.08623	2.8
85.02892	1.5
85.06532	4.0
86.06110	2.0
91.05479	21.7
93.07031	6.6
95.04951	4.5
95.08611	57.5
97.06532	10.1
98.81020	1.3
98.97588	56.4
99.04456	5.3
99.08099	12.9
99.97927	3.6
101.06003	4.5
103.05463	4.4
105.07031	25.0
105.22839	1.3
106.07375	1.6
111.08097	3.7
113.06021	1.8
113.09647	4.8
114.09142	1.7
115.05457	9.1
116.06248	5.5
116.97332	2.1
116.98628	47.2
117.05772	2.8
117.07029	25.1
117.95957	1.7
117.98953	3.7
118.06482	1.6
118.96764	19.4
119.01902	2.6
119.08580	10.6
123.08076	25.2
124.08361	1.4
128.06175	2.3
129.07011	19.8
130.06493	3.0
130.07848	6.6
131.04932	6.7
131.06934	3.9
131.08575	53.3
131.33791	1.4
132.08089	3.6
132.08949	3.7
133.99088	1.5
134.99663	35.2
136.00000	2.9
137.02977	1.9
141.07031	2.3
141.09140	8.9
142.03505	2.1
142.07738	3.1
143.08522	3.1
144.05728	4.7
144.09358	30.9
150.95711	2.7
152.81294	1.2
153.00764	3.8
154.62167	1.2
154.96471	7.0
157.10152	5.4
159.04391	1.6
159.06764	2.4
159.08090	14.4
159.11702	100.0
160.04524	3.8
160.07542	7.9
160.12064	4.2
169.07564	1.6
177.98132	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	Unknow
Peak:m/z	Relative Intensity
62.34391	0.4
62.94747	0.4
65.03965	0.6
65.76666	0.5
67.05508	2.1
67.39470	0.5
79.05502	0.9
91.05492	13.0
98.97589	1.4
103.05484	1.2
105.07037	16.7
106.07388	0.6
114.09273	0.4
115.05466	3.8
116.06260	3.8
116.98634	1.4
117.05793	0.5
117.07040	11.9
118.96784	1.3
119.08588	13.0
120.08829	0.6
128.06238	2.3
129.07022	19.8
130.07837	4.1
131.04926	0.8
131.08578	31.2
132.08919	2.1
134.99641	0.6
141.07007	2.4
142.07739	1.8
143.08543	2.3
144.05707	3.8
144.09364	34.3
145.06496	1.2
145.09700	1.9
157.10141	3.7
158.07280	0.5
158.10536	0.5
159.08083	20.2
159.11707	100.0
160.05190	0.7
160.07590	2.0
160.08693	1.5
160.12047	6.9
161.09665	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
50.35284	0.2
53.43294	0.3
65.03950	0.3
67.05510	2.5
78.69539	0.3
79.05488	0.9
81.07050	0.6
85.48528	0.3
91.05480	7.3
91.06009	0.5
98.97597	0.6
100.08937	0.3
103.05467	1.1
105.07032	24.3
106.07368	1.0
115.05458	3.2
116.06239	1.6
116.98597	0.4
117.07018	16.1
118.07355	1.1
119.08581	8.5
120.08914	0.4
128.06216	1.3
129.07001	11.6
130.07809	6.9
131.08568	36.9
132.08911	2.3
134.99648	0.3
141.07033	0.4
141.34227	0.3
142.07791	2.5
143.08517	1.2
144.09341	24.5
145.09665	1.4
157.10136	5.9
158.10397	0.6
159.08189	2.3
159.11688	100.0
160.10780	0.5
160.12027	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
58.26583	0.6
61.22345	0.5
67.05515	3.2
76.92858	0.7
79.05475	0.7
86.45590	0.5
90.36379	0.5
91.05486	7.0
98.23460	1.1
98.97585	0.7
103.05492	0.9
103.86545	0.6
105.07034	28.5
106.07376	1.6
115.05459	2.5
116.06229	1.5
117.07021	15.5
118.07339	0.5
118.96750	0.9
119.08582	7.7
119.23451	0.5
126.30811	0.5
128.06204	0.7
129.07005	12.7
129.07890	1.0
129.92902	0.5
130.07828	6.9
131.08575	40.8
132.08905	1.8
142.07770	2.5
142.70610	0.6
143.08572	1.4
144.09346	24.2
145.09679	1.8
157.10133	5.7
158.10484	0.8
159.08109	3.7
159.11697	100.0
160.07611	1.8
160.12004	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
56.96571	0.3
65.03934	0.4
67.05506	2.5
71.30771	0.4
77.58440	0.3
79.05496	1.1
81.07082	0.4
90.28505	0.3
91.05474	7.2
92.05833	0.3
93.07037	0.4
98.97582	0.8
103.05479	0.9
105.07028	26.4
106.07372	1.0
115.05433	3.5
116.06274	2.0
116.98636	1.0
117.07017	23.6
117.99001	0.4
118.06622	0.3
118.07301	1.3
118.96755	1.2
119.08576	9.3
120.08816	0.4
128.06186	1.4
129.07005	14.1
130.07806	6.8
131.08565	41.8
132.08917	2.0
134.99583	0.3
138.39214	0.3
141.06972	1.1
142.07762	2.5
143.08559	1.6
144.05704	0.7
144.09338	24.8
145.09703	1.6
154.96439	0.4
157.10129	6.0
158.10437	0.3
159.08144	4.2
159.11684	100.0
160.07549	0.6
160.12033	7.1
171.19453	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
70.51388	0.6
77.23080	0.2
80.14892	0.2
82.01446	0.6
82.99834	4.6
83.99925	0.2
89.65526	0.2
100.02491	3.8
101.00884	41.4
102.00915	1.3
111.00429	0.3
118.03529	6.5
119.01921	100.0
120.01993	2.3
124.02450	3.8
125.02636	0.4
136.04558	3.3
137.02957	21.3
138.03038	0.7
142.03502	33.7
143.03638	2.5
160.04559	34.3
161.03001	2.2
161.04652	2.4
165.05070	0.3
177.20758	0.2
178.05615	9.1
179.03998	2.8
179.05701	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
56.74022	0.2
57.03433	0.4
59.93093	0.3
69.03461	0.4
70.03359	0.9
81.03429	0.2
82.01447	0.6
82.99837	3.5
83.07352	0.2
85.02910	0.2
87.04443	0.5
97.02901	0.8
98.97607	0.3
100.02485	3.5
101.00883	38.5
101.05986	0.4
102.00965	1.2
105.07058	0.4
115.05450	1.3
117.05757	0.6
118.03525	6.6
118.11710	0.2
118.71334	0.2
118.96759	0.8
119.01924	100.0
120.02010	2.4
121.01598	0.3
121.02377	0.5
124.02444	3.5
125.02650	0.3
132.08133	1.2
133.03487	0.3
133.05219	0.3
136.04570	3.3
137.02962	25.9
138.03012	0.6
142.03503	32.2
143.01889	0.4
143.03610	2.6
145.01591	0.4
159.06792	0.3
160.04565	34.0
160.07530	6.5
161.02962	2.4
161.04684	3.2
161.07922	0.4
162.65253	0.2
163.02696	0.5
163.08189	0.3
165.05139	0.5
178.04036	0.5
178.05617	9.3
179.04013	3.1
179.05748	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0758
Annotation	2721-59-7
Peak:m/z	Relative Intensity
54.03467	0.2
55.01875	0.2
55.05503	0.9
60.08143	0.5
67.04253	1.5
69.07063	0.5
70.06587	1.5
70.12228	0.7
77.52799	0.2
79.05474	0.6
84.08157	0.9
84.78966	0.2
88.07624	0.2
91.05487	0.9
94.04190	0.4
95.28539	0.2
96.08133	1.6
97.65723	0.2
101.00875	0.5
101.06015	0.4
103.05431	0.3
105.06374	0.4
105.07037	5.0
106.07378	0.2
107.04929	0.5
114.09171	1.7
115.05458	18.1
116.04868	0.6
116.05798	0.8
117.05764	9.7
117.07056	0.6
118.06546	0.6
119.01927	1.2
130.06531	1.1
131.04904	1.1
131.07335	1.0
131.50467	0.2
132.08093	20.6
133.05246	1.2
133.06487	4.2
133.08487	0.9
135.26584	0.2
137.02975	0.3
141.05746	0.3
142.03485	0.4
142.06520	4.1
142.08649	0.7
143.07300	3.0
144.04428	0.3
145.05214	0.4
146.06032	0.6
159.06784	3.5
160.07578	100.0
161.07935	5.0
171.05511	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0757
Annotation	2721-59-7
Peak:m/z	Relative Intensity
50.79927	0.2
53.03960	0.3
56.75650	0.4
61.89122	0.3
62.67668	0.3
67.04256	1.5
70.65561	0.6
74.64448	0.3
79.05485	0.8
88.31785	0.3
91.05469	1.0
91.06004	0.3
94.04155	0.5
95.04955	0.3
105.07027	4.9
115.05456	16.2
116.05800	0.6
117.05764	9.7
117.07014	0.6
118.06645	0.3
119.01923	0.3
130.06528	1.2
131.04915	1.1
131.07314	0.9
132.08092	20.0
133.05243	1.3
133.06487	3.7
133.08438	0.4
134.05946	0.3
142.06517	4.2
143.07281	2.5
145.05200	0.4
146.06009	0.6
155.98207	0.3
159.06781	3.6
160.07576	100.0
161.07928	4.9
164.38121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03468	0.2
55.01879	0.4
67.04253	2.0
70.70533	0.6
79.05502	0.5
79.14924	0.2
91.05473	0.9
91.69060	0.3
94.04198	0.5
101.00823	0.3
103.05448	0.6
105.07030	4.7
106.07300	0.3
107.04953	0.5
115.05457	17.9
116.05010	0.4
116.05782	0.6
117.05766	9.4
117.07050	0.6
118.06543	0.8
119.01922	0.5
120.04473	0.3
130.06488	1.2
131.04929	1.0
131.07300	1.3
132.08095	19.4
133.05266	1.0
133.06485	4.0
133.08434	0.8
137.02937	0.3
140.04999	0.3
142.06529	4.6
143.07288	2.4
144.04474	0.4
145.05208	0.4
149.65617	0.2
159.06810	3.9
160.07579	100.0
161.07922	5.0
166.51782	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04520	0.2
61.02909	0.1
69.03425	0.3
69.83676	0.6
69.84021	0.3
70.06593	5.0
70.34076	0.1
71.05013	0.3
72.08170	0.2
82.99832	2.5
83.60649	0.1
83.99912	0.2
84.08147	1.9
85.02901	0.3
85.06552	0.5
87.04465	0.2
88.07636	0.2
97.02890	0.5
101.00881	30.8
101.02394	0.6
102.00941	3.7
103.00645	0.6
103.01269	0.2
103.02483	0.2
106.06559	0.3
111.00446	0.2
112.08736	0.5
113.00889	0.2
115.02457	0.5
117.03963	0.3
118.03600	0.3
119.01920	100.0
120.02001	9.2
120.03245	0.2
121.01646	1.5
121.02354	0.2
125.02562	0.3
126.09177	0.2
129.01833	0.2
130.08636	0.3
131.07965	0.2
133.03467	0.8
134.03575	0.2
134.06003	1.5
137.02954	27.0
138.03053	2.6
142.03487	1.2
143.01883	0.5
143.03619	3.0
144.03232	1.4
144.04280	0.3
144.11386	0.4
147.05064	0.4
156.97519	0.6
158.32458	0.2
159.05061	0.5
161.02977	4.2
161.04698	3.7
161.07953	0.9
162.03143	0.3
162.04303	1.5
162.05522	3.7
174.98595	0.4
177.06075	0.2
179.04024	4.7
179.05728	1.0
180.04074	0.4
180.05467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03934	1.3
55.01878	1.4
55.05503	0.7
59.70019	0.3
64.63882	0.3
66.04729	0.5
67.05510	0.5
69.03416	0.5
69.34180	1.6
79.05490	5.4
81.03399	0.3
81.07047	1.3
89.03934	0.6
90.04173	0.3
90.04683	1.8
91.05479	4.8
93.07033	1.1
95.04948	1.2
97.02884	0.5
103.05469	4.2
104.06241	1.0
105.04536	0.6
105.07029	18.7
106.07355	0.8
107.04961	0.9
107.08580	0.3
111.93948	0.3
114.95694	0.3
115.05447	3.0
115.57000	0.3
116.06259	0.4
117.07011	0.8
117.69499	0.3
118.04155	19.8
119.04381	0.4
119.05003	0.4
119.08579	7.8
121.06494	1.2
128.06212	1.0
129.07008	0.9
130.04070	0.5
131.04929	7.5
131.08557	1.5
132.05653	0.6
133.06497	3.4
133.10129	3.1
134.06010	1.0
143.06021	0.6
143.08591	0.5
145.06416	0.4
146.03624	10.7
146.07285	2.5
147.04323	0.4
159.11702	0.3
161.05974	100.0
161.09592	12.9
161.13245	4.3
162.06483	4.0
162.09949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03939	1.5
55.01867	1.9
55.05500	1.2
65.03938	0.4
66.04728	1.0
69.03433	0.5
69.28890	1.4
69.29314	1.4
72.66150	0.4
77.03919	0.5
79.05492	8.6
81.07049	1.0
84.04488	0.4
89.03905	1.3
90.04701	2.5
91.05070	0.3
91.05492	4.1
93.07058	1.0
95.04966	2.0
97.02868	0.5
103.05473	8.3
104.06293	1.0
105.04539	0.7
105.07031	29.1
106.06540	1.5
106.07285	0.8
115.05459	7.2
116.04920	0.4
116.05740	0.7
117.07015	1.3
118.04161	28.9
119.01942	0.6
119.04440	0.7
119.05021	0.4
119.08579	7.4
121.06525	0.5
128.06242	0.9
130.04065	0.5
131.04933	6.1
131.08551	0.7
132.05695	1.6
133.06488	9.9
133.10127	3.7
134.06000	4.3
134.06924	0.5
143.06010	0.7
143.08540	0.9
144.08095	9.3
145.06398	0.5
146.03632	8.9
146.07275	1.1
147.04153	0.8
161.05977	100.0
161.09607	5.4
161.13292	3.4
162.05495	6.5
162.06493	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.47155	0.3
51.02380	0.4
53.01578	0.3
53.03931	1.4
53.04154	0.3
53.16557	0.3
53.36336	0.3
55.01860	1.2
55.05506	0.5
61.43293	0.3
63.02375	0.4
65.03907	0.3
65.29488	0.3
66.04714	0.4
69.07073	0.5
69.30291	0.7
69.30695	2.0
77.03919	0.8
79.05492	7.6
81.07049	1.0
81.29700	0.3
81.30651	0.3
89.03902	1.0
90.04697	1.8
91.05480	5.2
93.07050	0.7
95.04950	2.0
102.04704	0.6
103.05473	7.8
104.06258	0.6
105.04491	0.9
105.07029	28.6
106.06631	0.3
106.07349	1.2
106.79351	0.4
107.04952	0.9
114.24225	0.3
115.05455	6.3
116.04990	2.8
117.05519	0.4
117.06995	0.7
117.80294	0.3
118.04156	23.4
119.04332	0.4
119.05016	0.6
119.08582	4.0
121.06503	1.1
128.06192	1.2
129.06976	0.6
131.04927	9.2
131.08565	1.1
132.05643	1.0
133.06496	6.7
133.10120	3.6
134.05988	1.0
143.06061	1.1
143.08505	0.6
144.04453	1.1
145.06479	0.7
146.03629	10.9
146.07275	2.8
147.04340	0.7
161.05974	100.0
161.09599	13.4
161.13263	2.5
162.06540	4.5
162.09993	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03941	1.6
55.01881	2.0
55.05505	1.1
60.04530	0.4
65.03952	0.4
66.04713	1.3
69.03391	0.4
69.07050	0.7
71.30669	0.5
73.61744	0.4
75.63599	0.4
79.05491	11.0
81.07069	0.8
84.04461	0.5
85.99481	0.4
89.03916	1.3
90.04700	3.1
91.05479	5.2
93.07045	1.0
95.04998	2.4
97.02914	0.5
97.10146	0.5
98.06084	0.5
102.03302	0.4
102.04647	0.9
103.05463	10.2
104.06316	0.6
105.04507	0.8
105.07028	37.9
106.06574	0.7
106.07361	1.3
107.04940	0.6
109.21291	0.4
115.05453	10.2
117.06992	1.3
118.04156	27.4
119.04510	0.7
119.08580	7.3
121.06477	0.5
128.06207	0.9
130.04073	0.5
131.04919	6.1
131.08528	1.2
132.05637	1.2
133.06482	13.9
133.10109	5.3
134.05983	4.1
134.06836	0.8
143.04990	0.6
143.06039	1.3
143.08569	0.8
144.04521	0.8
144.08078	11.3
146.03633	10.2
146.07271	1.1
147.04259	0.7
161.05972	100.0
161.09561	6.3
161.13234	4.1
162.05302	7.8
162.06566	2.0
175.41611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02382	0.3
53.03939	1.1
55.01865	0.9
55.05493	0.4
57.45078	0.2
62.89375	0.3
65.03951	0.3
66.04713	0.4
68.99798	2.7
69.03419	0.3
70.71384	0.3
77.03928	0.4
79.05061	0.4
79.05494	5.3
81.03365	0.3
81.07054	0.5
83.08603	0.3
89.03865	0.4
90.04709	1.9
91.05485	4.2
93.07044	0.3
95.04961	1.4
102.04707	0.5
103.05466	5.0
104.06254	0.8
105.04515	0.7
105.07030	17.2
106.07360	0.7
107.04948	0.8
115.05464	3.7
116.06293	0.3
117.07011	0.3
118.04160	22.4
119.04369	0.6
119.05077	0.6
119.08585	1.8
121.06510	1.0
128.06192	1.1
129.06982	1.0
131.04922	9.6
131.08554	1.0
132.05663	0.8
133.06511	3.9
133.10112	1.3
134.06009	0.7
143.06105	0.6
143.08595	0.3
145.06511	0.5
146.03633	12.1
146.07275	2.8
147.04381	0.6
161.05977	100.0
161.09590	12.6
161.13235	1.5
162.06438	4.5
162.09891	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.01611	0.3
51.02375	0.6
53.03944	2.8
55.01871	4.9
63.02393	0.3
65.03941	0.5
66.04735	1.6
67.05530	0.3
69.35739	1.8
77.03937	1.2
79.05494	19.5
80.05818	0.6
81.07046	0.9
89.03931	1.2
90.04698	4.3
90.56621	0.2
91.04958	0.5
91.05482	5.5
92.02621	1.0
93.07053	0.4
94.04169	0.4
95.04974	3.2
95.64198	0.2
98.22643	0.3
102.04671	0.8
103.05471	27.2
104.05779	0.9
105.04524	1.2
105.07031	100.0
106.07378	3.8
107.04944	1.2
109.89401	0.2
113.59295	0.3
115.05455	29.5
116.05789	1.5
117.07021	0.4
118.04162	22.4
119.04507	0.8
119.08594	2.6
131.04932	4.2
132.05716	1.1
133.06493	45.4
133.10081	1.6
134.06847	2.1
143.04984	0.5
143.06038	5.8
143.08507	0.4
144.08102	1.9
146.03604	0.6
151.21892	0.3
154.34958	0.3
161.05975	9.8
161.09584	1.4
161.13246	2.5
177.76773	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02378	0.7
53.03946	2.8
53.06411	0.3
55.01875	4.5
55.05505	1.0
61.95131	0.3
63.02400	0.4
64.49612	0.3
65.00481	0.3
65.03938	0.7
66.04726	2.3
67.05505	0.9
69.03428	0.5
69.07067	0.9
69.36533	1.4
77.03935	0.9
79.05497	21.7
80.05834	0.7
81.07063	1.5
89.03916	1.5
90.04712	4.0
91.05486	6.9
92.02641	0.8
93.07056	1.1
95.04968	4.0
96.04462	0.4
97.02888	0.9
102.04709	0.6
103.05472	25.8
104.05795	0.9
105.04614	1.6
105.07033	100.0
106.07362	4.4
107.04945	1.6
107.08598	0.6
115.05457	28.5
116.05791	1.2
117.07004	2.3
118.04164	19.5
119.01933	0.6
119.04505	0.6
119.08588	9.3
121.06512	1.0
128.06226	0.8
131.04926	4.9
131.08554	0.9
132.05719	1.2
133.06493	43.5
133.10117	5.8
134.05960	0.7
134.06847	1.3
143.04903	1.0
143.06055	4.9
143.08534	0.9
144.08087	17.0
145.08380	0.5
146.03621	1.0
146.07271	1.0
161.05989	12.3
161.09622	5.3
161.10860	0.4
161.13261	5.8
161.37700	0.3
162.05412	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.01872	1.5
55.05511	4.5
65.03927	1.5
67.05512	3.7
69.01675	1.6
69.02095	2.9
69.03428	1.7
69.07063	2.1
74.06020	0.5
77.03934	0.9
79.05495	6.6
80.97516	0.5
81.07063	9.8
84.04472	0.7
90.04668	1.3
91.05482	100.0
92.05798	3.9
93.07053	6.3
95.04984	1.1
95.08626	1.6
97.02863	0.6
103.05466	7.3
104.06281	0.7
105.03411	0.6
105.07033	59.8
106.07381	2.4
107.08584	1.8
115.05450	15.5
116.06242	42.6
117.07003	3.8
118.04159	5.1
118.06564	0.9
118.07798	0.6
119.08580	37.7
120.08888	1.3
121.06527	3.1
121.10115	0.8
128.06223	7.0
129.07008	13.2
130.07716	0.8
131.04953	2.9
131.08568	70.9
132.08900	4.1
133.06529	4.7
133.10129	28.2
133.11156	0.8
134.05968	0.8
134.10498	1.7
143.06078	0.6
143.08572	3.3
144.08049	0.8
145.06433	1.2
145.10181	0.7
146.03664	1.9
146.07275	7.7
147.04341	0.6
147.07611	0.8
149.09627	11.7
155.06036	0.6
159.09181	11.7
159.11737	1.4
161.05994	19.6
161.09622	38.6
161.13258	28.5
162.05492	1.8
162.09978	1.6
162.13608	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.4
52.04081	0.4
55.05500	0.6
55.43870	0.4
67.05499	0.6
69.03426	1.2
69.07085	0.4
75.68051	0.3
79.05482	1.1
79.06457	0.4
81.07063	0.8
91.05479	5.6
92.33244	0.4
93.07041	3.0
98.22847	2.2
103.05476	0.6
105.07032	36.0
106.07370	1.5
107.04962	1.6
107.08613	0.4
115.05440	0.6
116.06206	0.7
117.07011	0.9
118.07831	0.6
119.04934	0.4
119.08588	8.2
121.06502	14.5
128.06239	3.8
131.04893	2.2
131.08556	1.5
132.05716	1.3
133.06531	1.8
133.10135	23.9
134.10483	1.4
143.08577	3.3
145.06520	2.9
146.07266	24.4
147.07610	1.5
159.08043	0.7
159.11671	0.4
161.09619	100.0
161.13234	5.8
162.09973	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83295	0.4
51.02373	0.4
53.03948	1.5
53.86955	0.4
55.01876	2.8
55.05509	3.3
65.03935	0.8
67.05499	4.3
69.03429	13.4
69.07064	2.7
70.42864	0.3
77.03921	0.4
79.05489	6.5
79.36121	0.4
81.03424	0.7
81.07062	6.9
85.92770	0.4
91.05481	20.9
92.05803	0.9
93.07039	7.4
94.07364	0.4
95.04959	1.5
95.08602	2.8
103.05464	3.0
105.07028	69.3
106.07353	2.8
107.04920	2.2
107.08583	1.9
115.05438	3.3
117.07027	4.7
118.04163	1.1
118.07770	1.1
119.04934	2.9
119.08580	30.3
120.08921	1.4
121.06505	6.3
124.88315	0.4
128.06223	11.4
129.06567	0.6
131.04967	2.6
131.05879	0.5
131.08556	4.3
132.05739	2.0
132.09326	0.4
133.06517	5.3
133.10126	31.1
134.10449	1.8
137.05983	0.6
141.07005	0.9
143.04907	1.2
143.06021	0.6
143.08553	14.7
144.08900	1.0
145.06483	5.6
146.03748	0.5
146.07272	14.3
147.07660	0.8
159.08061	1.7
159.11639	0.7
161.06038	5.3
161.09613	100.0
161.13242	20.4
162.09970	5.9
162.13568	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01871	2.1
55.05511	13.1
56.05828	0.5
57.03395	0.3
57.07091	0.6
59.05005	2.6
60.04515	0.5
66.04715	0.9
67.05482	0.7
67.28178	0.3
69.03134	0.3
69.03440	3.4
69.07053	2.1
69.47813	2.0
79.05491	7.4
81.07062	4.2
83.04973	1.0
83.08617	36.8
84.04492	0.6
84.08943	1.5
84.66447	0.4
86.73260	0.3
89.03890	0.8
90.04704	1.7
91.04960	0.6
91.05476	6.6
91.87039	0.3
92.05811	0.3
92.18217	0.3
93.07017	1.5
95.04973	2.0
95.08609	0.4
97.02866	0.4
97.10170	9.1
98.06041	0.4
99.08097	2.7
101.06038	1.6
101.09679	0.8
102.04656	0.6
103.05473	6.4
104.06297	0.6
105.04501	0.6
105.07030	27.1
106.06564	0.8
106.07349	1.2
107.04916	1.0
107.08586	0.9
115.05469	4.5
116.07133	0.3
117.07036	0.9
118.04159	24.8
119.04520	1.3
119.08584	5.6
120.97932	0.3
121.06499	1.8
122.91204	0.3
125.09651	0.8
128.06236	1.9
129.07016	0.9
130.04129	0.4
131.04916	9.9
131.08574	1.4
132.05670	1.2
133.06502	5.1
133.10130	5.4
134.06018	3.4
134.10533	0.4
143.06055	0.7
143.08563	1.5
143.10655	4.9
144.08101	1.7
145.06444	1.0
146.03629	10.4
146.07283	4.2
147.04388	0.6
161.05974	100.0
161.09601	19.0
161.13214	4.6
162.05444	5.4
162.06418	4.0
162.09946	1.1
165.17715	0.3
180.76024	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03941	0.7
55.05512	6.8
65.03359	0.3
65.03943	0.4
67.05493	1.1
69.07070	3.6
71.30000	0.3
71.91849	0.3
77.03912	0.3
79.05505	2.7
81.07064	2.3
82.18439	0.3
91.05482	11.3
93.07053	2.5
95.04964	0.4
95.08620	0.6
103.05448	1.6
104.06251	0.7
105.07030	26.9
106.07372	1.0
107.08585	2.0
107.76318	0.3
115.05432	1.7
117.07023	3.7
118.04176	2.2
119.08578	100.0
120.08884	4.3
121.06512	0.4
121.10140	5.0
128.06210	1.2
131.04907	0.7
131.08562	4.1
132.09383	0.5
133.06535	1.4
133.10127	26.3
134.10452	1.3
141.50684	0.3
143.08528	1.1
145.10139	0.6
146.03632	0.9
146.07234	1.4
146.10919	1.8
159.11688	1.3
161.05986	9.2
161.09624	6.6
161.13257	29.9
161.75720	0.3
162.06494	0.4
162.13637	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03943	1.2
55.05510	11.0
57.07079	0.6
60.04505	0.5
64.88998	0.4
65.03951	0.8
67.05501	2.2
69.03413	0.7
69.07066	16.3
69.18869	3.2
72.04512	0.8
77.03891	0.5
79.05492	6.1
81.03367	0.4
81.07056	6.8
83.08633	0.5
84.04500	0.6
85.02896	0.5
91.05481	18.8
93.07048	6.8
95.04967	0.8
95.08608	1.0
96.04575	0.4
97.02880	0.9
103.05460	2.7
104.06280	0.9
105.07027	65.3
106.07325	1.9
107.08601	3.3
115.05443	1.3
117.07019	6.9
118.07817	0.4
119.08576	100.0
120.08870	3.7
121.10148	3.2
128.06197	0.5
129.07024	0.5
130.07758	0.7
131.08560	10.3
132.09325	1.1
133.10123	40.4
134.05981	1.4
134.08141	0.4
134.10471	1.6
143.08539	0.8
144.06590	0.6
144.09259	0.5
145.10126	1.6
146.03606	0.4
146.07202	0.6
146.10909	4.6
146.55930	0.4
156.91869	0.4
159.11687	3.9
161.05951	0.6
161.09644	4.2
161.13255	63.1
162.05464	2.9
162.07648	0.9
162.09105	0.6
162.13602	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03942	0.6
55.05501	2.1
65.03935	0.4
67.05510	1.8
69.07072	2.4
70.48140	0.3
71.30221	0.3
79.05498	3.6
81.07063	4.0
86.64071	0.3
91.05484	12.9
92.05824	0.6
93.07042	3.4
95.04967	0.4
95.08598	0.4
103.05466	1.7
104.06252	0.8
105.07033	45.7
106.07375	1.3
107.08588	1.1
115.05481	0.5
117.07021	3.7
118.04219	0.4
119.08580	100.0
120.08868	3.3
121.10205	0.6
131.08569	2.4
132.09348	0.7
133.06471	0.5
133.10130	15.9
134.10489	0.7
145.10126	0.6
146.07291	0.5
146.10860	0.8
159.11679	1.1
161.09645	2.2
161.13266	23.0
162.13585	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03934	1.3
54.35776	0.3
55.01867	0.8
55.05507	4.8
63.10826	0.4
65.03943	0.9
67.05501	17.3
69.03427	1.9
69.05973	3.4
69.07069	5.4
76.91487	0.4
77.03939	1.0
79.05491	13.4
81.07052	45.0
82.07393	1.0
83.08600	1.0
91.05476	29.3
92.05827	1.0
93.07037	17.7
94.07345	0.7
95.04953	1.7
95.08604	12.1
95.09229	0.8
96.08947	0.6
98.22630	0.9
100.12831	0.4
103.05474	2.6
104.06265	0.5
105.07025	100.0
106.07349	3.6
107.04970	0.6
107.08577	3.6
115.05464	2.0
117.07006	4.8
118.04146	1.6
118.07780	1.2
119.08575	56.8
120.08857	2.0
121.06504	2.8
128.06218	1.7
129.06972	0.4
131.04904	0.9
131.08571	4.2
132.05688	0.4
132.09326	1.1
133.02831	0.5
133.06494	3.3
133.10121	39.5
134.10437	2.2
135.42406	0.4
143.05994	0.6
143.08549	2.6
145.06506	1.0
146.03636	0.7
146.07260	4.6
146.10902	1.0
159.11819	0.8
161.02417	0.5
161.05984	3.8
161.09619	25.8
161.13248	56.9
162.09964	1.7
162.13614	3.5
179.57370	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03947	1.3
55.01868	1.1
55.05518	6.6
65.03922	1.0
67.05492	5.4
69.03430	1.5
69.07065	10.8
71.88210	0.6
72.04543	0.7
74.06094	0.9
77.39750	0.7
79.05495	10.0
79.90456	0.7
81.07056	14.1
83.08614	0.7
91.05479	24.5
93.07047	10.2
95.04996	1.2
95.08606	1.8
96.04469	1.1
97.02888	1.1
98.22459	1.2
103.05457	3.6
105.07029	90.2
106.06651	0.6
106.07315	3.4
107.08587	3.4
115.05483	2.6
116.06173	0.6
117.07021	8.3
118.04153	1.3
118.07800	1.5
119.08581	100.0
120.08894	3.9
120.96513	0.8
121.06490	1.3
121.10120	3.8
124.07176	0.6
125.62886	0.7
126.61755	0.7
126.78220	0.7
128.06248	2.1
131.04926	0.9
131.08559	8.7
133.06488	3.2
133.10127	47.2
134.06017	1.1
134.10457	2.0
134.63704	0.7
143.08571	3.1
144.06575	0.9
145.10147	1.1
146.07289	3.2
146.10956	5.1
155.06169	0.7
159.11742	2.5
161.05991	2.1
161.07237	1.1
161.09630	15.4
161.13263	68.5
162.05505	1.8
162.07793	0.9
162.13606	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.05520	7.1
56.05016	1.5
60.04520	2.6
67.05494	3.9
69.03422	3.8
69.07076	8.3
69.07396	1.8
72.04503	4.4
74.06074	2.0
79.05495	9.7
81.07059	22.6
82.35925	1.5
84.04502	4.1
85.02907	2.8
91.05476	30.2
93.07047	11.6
95.04974	1.5
95.08618	1.9
96.04475	2.3
97.02882	4.8
98.06049	4.1
101.95011	3.1
102.96877	3.2
103.05450	4.8
104.06210	1.7
105.04502	1.5
105.07032	90.1
106.06577	2.6
106.07369	4.8
107.08569	2.6
114.05529	2.9
115.03956	1.3
115.05449	2.7
116.07121	1.7
117.07040	7.9
118.04160	2.5
119.08583	100.0
119.96049	2.2
120.08895	2.8
121.10104	2.0
126.05544	2.0
128.06232	2.6
131.08617	7.4
133.06471	5.9
133.10129	40.7
134.06027	8.5
134.08142	1.6
134.10487	2.7
138.98929	1.8
143.08504	2.0
144.06554	4.1
146.03661	3.4
146.07277	1.7
146.10890	2.6
159.11656	3.2
161.05991	5.7
161.07088	2.5
161.09628	10.9
161.13261	77.3
162.05487	18.1
162.07620	3.4
162.09111	2.4
162.13643	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03937	0.6
55.05512	7.9
60.04520	0.4
65.03928	0.8
67.05505	2.5
69.07072	8.6
70.86154	1.4
79.05486	5.1
81.07059	13.9
83.08631	0.6
91.05479	12.2
93.07052	7.4
95.08601	1.3
103.05476	1.5
104.06268	0.8
105.07030	70.1
106.07328	2.8
107.08591	3.1
116.93189	0.5
117.07012	4.6
119.08580	86.9
120.08858	3.6
121.10141	1.7
128.06177	0.5
131.08565	4.7
132.09346	1.0
133.10127	33.4
134.08023	0.5
134.10497	0.7
138.54695	0.6
143.08594	0.8
144.06543	0.7
145.10106	1.4
146.07301	0.9
146.10938	2.8
146.86078	0.5
159.11687	3.4
161.09645	4.6
161.13257	100.0
162.13579	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01883	0.5
55.05510	6.7
55.05759	0.6
65.03938	0.7
67.05502	4.3
68.86185	0.4
69.03418	1.1
69.07065	6.1
69.18841	3.5
74.06080	0.5
77.03930	0.9
79.05489	7.5
81.07056	24.2
82.07389	1.0
91.05481	19.6
92.05806	0.6
93.07040	11.3
95.04977	0.8
95.08596	3.0
103.05491	3.4
104.69761	0.4
105.03390	0.8
105.07029	100.0
106.06696	0.8
106.07325	3.1
107.04978	0.4
107.08585	3.6
115.05452	1.7
116.05003	2.0
117.07015	5.7
118.04183	2.3
118.06539	6.9
118.07808	0.6
119.08578	77.1
120.08866	2.9
121.06467	0.5
121.10147	1.1
128.06187	1.5
131.04929	1.6
131.06264	0.4
131.07663	0.7
131.08560	4.8
132.09343	1.3
133.06482	0.7
133.10126	33.7
134.06033	2.0
134.10461	1.2
143.08527	2.5
144.04457	1.6
144.08018	1.0
145.10143	0.8
146.03610	1.3
146.07240	2.4
146.10898	1.6
159.11707	2.8
161.05980	11.4
161.09636	8.7
161.13254	59.9
162.05411	3.6
162.13605	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.02391	0.2
51.47719	0.2
52.83915	0.2
53.54910	0.2
55.05510	1.2
67.05493	0.5
69.07063	1.3
79.05497	1.6
81.07059	2.1
83.85563	0.3
91.04898	0.3
91.05474	6.7
93.07027	1.7
94.72341	0.2
95.04982	0.3
103.05462	0.8
104.06263	0.6
105.07029	19.5
105.16460	0.3
106.07378	0.8
107.08632	0.4
115.05453	0.7
117.07021	2.4
117.71231	0.2
119.08576	100.0
120.08894	3.8
121.10107	0.4
131.08545	1.5
133.10124	8.7
134.10477	0.4
139.75314	0.2
143.08525	0.4
146.10941	0.6
159.11707	0.5
161.05937	0.9
161.09590	1.2
161.13252	13.8
162.13554	0.6
166.29808	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20742	0.1
53.03949	0.4
55.01857	0.2
55.05510	2.5
56.96559	0.2
57.03432	0.5
59.04990	0.2
60.04523	0.1
60.05648	0.9
60.08165	0.3
61.02924	0.4
67.05531	0.1
68.05024	0.3
69.03429	0.9
70.06592	100.0
70.61826	0.3
70.62141	0.1
71.04993	2.7
71.06313	0.2
71.06922	2.1
73.02925	0.4
74.06079	0.3
74.07214	0.3
79.05501	0.7
81.03411	0.4
83.08600	0.3
83.99947	0.3
84.04515	0.3
84.08135	0.3
84.99603	0.6
85.02905	1.3
85.06541	9.1
86.06869	0.3
88.07629	0.6
89.03909	0.8
89.50007	0.1
95.04977	0.3
96.04519	0.2
97.02892	1.5
99.04482	0.3
100.02502	0.2
101.00880	1.2
102.00951	4.6
102.02247	0.4
102.05536	0.1
102.09222	0.2
103.00634	5.2
103.01247	0.3
103.03895	0.2
103.65139	0.2
106.06574	0.9
107.04963	0.3
112.02937	0.1
112.08727	8.7
113.09070	0.2
115.02459	0.3
115.93176	0.1
116.04947	0.3
117.02193	0.3
117.03400	0.4
119.00594	0.2
119.01914	3.7
120.02005	16.0
120.06603	0.3
121.01663	14.5
123.42196	0.1
126.02240	0.2
126.05547	0.2
127.03911	0.3
129.48201	0.1
130.09766	3.9
133.02748	0.2
134.03561	0.4
134.06012	2.7
135.03282	0.5
135.04436	1.2
137.02956	0.9
137.09238	0.1
138.03056	4.6
138.04245	0.2
138.96437	0.2
139.02690	4.2
142.03477	0.2
143.03720	0.3
144.03273	3.0
144.04404	0.9
144.06490	0.2
144.10272	0.1
144.11317	3.1
144.13786	0.8
145.04987	0.2
148.05089	0.3
149.04738	0.2
156.97514	0.7
157.03444	0.7
160.05264	0.2
161.04784	0.3
162.03148	0.6
162.04317	2.9
162.05534	7.3
162.11234	0.3
162.12440	0.5
162.14865	0.8
163.02679	0.4
163.03946	2.0
163.05898	0.4
163.12343	0.2
170.56178	0.1
174.98529	0.6
178.06255	0.2
179.05830	0.2
179.99120	0.2
180.03908	0.7
180.05516	0.9
181.03780	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76357	0.4
53.03942	2.7
55.01865	1.2
55.05498	0.5
56.27535	0.5
57.03442	0.6
61.02910	0.4
63.02379	1.7
65.03939	0.8
67.05500	0.6
68.99791	2.4
69.03441	1.3
69.07085	1.0
69.33727	0.7
69.34134	1.8
75.83623	0.4
77.03933	0.9
79.05494	15.0
80.05850	0.4
81.03424	0.5
81.07061	1.7
85.02909	1.2
89.03918	77.4
90.04259	2.9
91.05476	5.2
93.07049	2.7
95.04974	4.0
95.08577	0.8
98.23342	0.5
103.05468	5.3
105.04509	1.2
105.07014	3.9
107.04951	15.9
107.08591	7.2
108.05307	0.6
109.06504	1.1
115.05463	1.5
116.81605	0.4
117.03378	64.4
117.07027	2.7
118.03682	2.4
119.06079	0.7
119.08614	1.1
121.02855	0.8
121.06470	1.0
121.10150	2.5
123.54951	0.4
130.06583	0.9
130.07751	0.5
130.85805	0.4
131.04933	5.6
132.08095	0.5
133.02846	1.3
135.04414	100.0
135.08015	5.8
135.11636	1.1
136.04790	3.7
136.07597	0.6
145.02853	41.9
145.03842	1.5
145.06514	1.0
145.10101	2.2
146.03189	1.6
161.36275	0.5
163.03903	77.2
163.07541	4.4
163.11180	4.7
163.14870	0.8
164.04276	3.4
168.86429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
50.04256	0.5
53.03942	1.6
59.36534	0.5
62.01614	0.7
63.02394	2.1
77.03943	1.1
79.05499	12.9
87.92772	0.7
89.03927	86.8
90.04256	3.8
95.04977	2.9
105.04523	1.4
107.04967	15.4
108.05285	0.7
117.03391	71.4
118.03722	2.8
131.80394	0.6
132.02037	0.9
135.04428	100.0
136.04735	3.8
145.02867	44.1
145.03889	1.6
146.03203	2.1
163.03918	76.0
164.04254	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	Umbelliferone
Peak:m/z	Relative Intensity
50.09967	0.4
53.03953	2.6
54.35098	0.4
55.05524	0.5
63.02385	1.9
65.03929	0.6
69.03428	1.0
70.23293	0.5
70.69402	0.5
70.69740	0.9
77.03921	0.7
79.05494	10.7
85.02902	2.0
89.03919	74.8
90.04258	2.5
91.05479	1.8
93.07068	0.7
95.04953	2.6
96.26730	0.5
103.05480	1.2
105.04488	0.7
105.07024	1.3
107.04961	14.0
107.08625	2.4
107.25889	0.5
115.05475	0.8
117.03381	61.2
118.03690	2.2
121.10197	0.7
121.45473	0.5
122.03674	1.0
131.04970	1.1
132.02075	2.9
135.04417	88.8
135.08066	1.7
135.11674	0.6
136.04756	3.6
145.02856	41.9
145.03902	1.8
146.03217	2.4
162.55617	0.4
163.03906	100.0
163.07541	1.7
163.11177	2.6
164.04282	4.5
170.81718	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03947	2.2
60.32320	0.6
63.02374	1.7
66.76365	0.5
69.94199	2.4
77.03954	0.9
79.05496	10.4
79.85700	0.5
89.03919	80.0
90.04253	3.2
95.04955	3.3
97.82776	0.5
103.05459	1.2
105.04503	1.2
107.04958	13.4
117.03383	65.2
118.03740	3.0
130.03194	0.7
135.04417	100.0
136.04736	4.2
136.07495	0.8
145.02855	40.8
145.03897	1.7
146.03181	2.3
163.03908	71.7
164.04262	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.06
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.7
55.01862	2.8
55.05511	7.3
57.07082	3.1
57.56489	2.6
61.02937	6.7
67.05506	8.1
67.52325	1.9
69.03426	15.7
69.07060	21.9
70.13299	8.9
79.05486	37.9
81.03417	2.6
81.07051	33.5
83.08604	6.3
83.33692	2.1
85.02902	38.2
89.03925	5.5
91.05471	18.0
93.07038	40.0
95.04984	5.1
95.08595	21.7
97.02898	7.8
103.05489	13.4
105.07024	15.9
107.04949	14.1
107.08591	100.0
109.02902	3.0
115.05446	6.1
117.07008	6.0
119.08621	4.1
121.06531	4.9
121.09283	4.4
121.10133	32.1
122.09644	2.8
131.04932	15.5
135.04456	8.0
135.08063	14.6
135.08932	2.7
135.11691	12.6
145.10139	7.4
154.67079	2.1
163.03899	19.5
163.07533	14.2
163.11174	13.4
163.12466	2.7
163.14827	46.8
173.39580	2.8
177.78133	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.01869	3.3
55.05498	1.0
57.03433	2.7
61.02933	2.9
61.81701	0.6
62.01589	0.7
63.02388	2.0
65.03957	1.1
67.05517	1.1
69.03431	8.0
69.07081	2.6
69.47382	0.6
69.57905	1.6
69.58321	1.8
71.05003	0.7
72.08169	0.7
73.02929	1.4
75.33342	0.6
79.05494	19.6
80.05824	1.0
81.03436	3.1
81.07071	2.5
84.08149	0.8
85.02911	17.0
89.03918	70.4
90.04262	2.6
91.03961	0.6
91.05481	9.7
92.02612	1.1
93.07041	5.7
94.70788	0.6
95.04967	5.8
95.08613	1.4
97.02875	4.0
98.23318	1.1
99.04468	1.3
101.02374	0.8
103.05470	33.1
104.05791	1.1
105.03403	1.5
105.04509	2.3
105.07021	7.2
107.04955	18.0
107.08601	14.4
108.05241	0.7
109.02871	1.2
109.06532	1.2
115.05460	2.8
117.03379	58.8
117.07029	5.6
118.03738	1.9
119.04929	1.1
119.06105	0.7
119.08589	2.4
120.04469	0.7
120.05691	1.0
120.08175	0.6
121.06488	2.3
121.10147	4.3
127.03903	1.3
130.06543	2.0
130.07806	0.6
131.04926	32.8
132.05251	1.2
132.08086	2.3
133.02873	4.7
135.04417	100.0
135.08035	12.0
135.11684	2.3
136.04756	3.6
136.07564	2.9
142.10364	0.7
145.02850	33.6
145.03899	1.9
145.06512	2.6
145.10120	4.7
146.03160	1.2
147.04381	1.0
163.03903	89.4
163.07545	13.0
163.11171	6.5
163.12344	1.1
163.14780	1.8
164.01701	1.0
164.04265	4.8
164.08286	0.8
181.02898	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0599
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
51.02356	1.2
53.03947	8.4
55.01876	6.8
55.05515	7.7
57.03439	3.7
61.02928	2.6
62.92971	1.2
65.03927	4.1
67.05491	6.2
69.03426	12.8
69.07069	12.8
70.86372	3.6
71.04971	1.7
73.02925	1.8
77.03923	2.3
78.95264	1.3
79.05492	83.4
80.05817	2.2
81.03407	4.4
81.06583	1.8
81.07050	16.7
83.08593	3.9
85.02911	19.2
89.03918	17.3
91.05480	42.7
92.05820	2.3
93.06474	2.7
93.07045	42.8
94.07336	1.5
95.04961	13.6
95.08607	13.2
97.02879	2.6
99.04378	1.4
100.22739	1.3
103.05467	94.1
104.05786	3.4
105.03384	4.5
105.04520	5.2
105.07030	30.0
105.08108	1.7
106.06557	3.7
106.07298	1.7
107.04958	29.3
107.08597	76.6
108.08877	1.5
109.06496	4.2
109.10146	1.8
115.05434	9.0
116.06206	1.5
117.03391	10.4
117.05788	2.2
117.07024	19.6
119.06049	3.8
119.08578	9.4
120.05709	2.5
121.06531	8.3
121.10147	28.9
130.06505	4.7
130.07787	5.7
131.04926	100.0
132.05263	4.1
132.08098	4.0
133.02831	7.7
135.04410	33.3
135.08044	32.4
135.11693	11.7
136.07524	4.3
145.02869	7.9
145.06499	3.6
145.10127	19.6
148.05211	2.3
163.02518	1.6
163.03909	58.5
163.07536	63.9
163.11179	33.0
163.12444	3.4
163.14813	21.5
164.04228	2.1
164.07999	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	14.7
53.15260	6.3
55.85565	6.1
60.71073	7.5
69.03420	8.2
69.07066	10.7
71.30066	8.6
74.18642	6.6
79.05488	32.0
81.03416	29.6
81.07059	13.8
81.52789	6.3
85.02895	51.8
91.05488	39.6
93.07057	29.2
95.05007	10.8
95.08607	11.9
99.04453	100.0
103.03948	94.2
105.07031	23.3
106.06561	8.4
107.08603	54.1
109.02866	11.3
115.05455	11.1
117.07023	33.3
119.08581	12.1
121.06532	14.1
121.10156	23.2
127.03916	57.7
130.06505	11.6
132.08090	13.6
133.02875	8.7
135.08052	12.9
135.11734	16.8
145.06470	7.1
145.10194	9.5
163.03918	43.8
163.07494	13.7
163.11176	45.1
163.12320	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0602
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
51.02380	1.0
53.03942	5.1
55.01871	5.0
55.05515	1.8
56.05852	1.6
56.15879	0.5
57.03436	6.7
59.05011	0.9
60.45502	0.5
60.99607	0.5
61.02925	12.6
63.02365	0.5
63.92945	1.1
65.03949	0.6
69.03432	15.4
70.06596	33.2
71.01357	0.7
71.04999	2.2
71.06357	4.2
71.06925	41.7
72.05320	1.1
72.08163	1.4
73.02921	7.7
74.06084	0.5
77.03934	0.8
78.95287	2.7
79.05495	7.1
80.05009	0.6
81.03415	4.0
82.81979	0.4
83.01353	0.6
83.04986	0.7
84.08138	1.3
84.99613	1.2
85.02907	35.2
85.06567	2.8
85.07014	0.5
86.03275	1.0
86.06872	4.4
87.04473	1.1
89.03918	20.2
90.04249	0.7
91.03948	2.5
91.05495	1.8
92.02627	2.4
93.07064	0.5
95.04967	6.4
97.02888	8.1
98.03181	0.6
99.04443	2.6
100.02490	1.2
101.00896	1.4
101.02404	1.7
103.00636	18.1
103.01305	1.3
103.03919	0.7
103.05482	1.4
105.03427	3.9
105.04521	3.0
105.07017	1.4
106.06537	0.9
107.04955	5.6
107.06865	0.5
107.08575	1.2
109.02882	1.3
112.08691	1.0
113.08401	0.7
113.09072	5.1
117.03377	16.3
117.05698	1.2
117.07017	0.9
118.03564	2.0
119.01923	8.1
119.97866	1.1
120.02055	3.3
120.08131	0.8
121.01665	100.0
122.02018	2.4
122.94175	0.7
123.02138	0.7
123.08009	0.6
127.03926	3.7
130.06549	3.1
131.01921	1.4
131.04932	1.3
131.10101	1.5
132.08101	2.7
133.02846	13.7
134.03119	0.5
135.04417	45.2
135.06320	2.1
135.07997	1.1
135.11652	0.6
136.04694	1.7
137.02928	2.8
138.03046	1.7
139.02689	43.1
140.03012	0.6
140.95222	0.7
144.03185	1.4
145.02773	9.5
145.04802	1.2
145.06512	0.8
145.11678	2.7
145.14153	0.7
146.03116	0.8
146.06023	0.8
153.04184	0.5
157.97607	0.8
158.96281	1.4
159.05008	0.5
163.02780	3.7
163.03888	64.4
163.05911	5.5
163.07536	2.1
163.11176	0.9
163.12355	1.4
163.15179	0.6
164.04289	3.9
164.07076	1.4
164.10556	0.5
171.02505	1.2
175.98563	1.2
181.03766	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69947	1.5
51.96680	1.3
53.03937	3.2
54.03483	2.6
55.01860	5.6
62.17213	1.4
65.03917	1.4
69.03424	2.0
69.07062	4.1
70.90455	2.8
71.04990	2.9
78.04721	1.3
79.05502	10.3
79.05882	2.0
81.03417	5.3
81.07064	2.8
85.02913	10.9
91.05480	37.5
92.05822	1.6
93.07046	15.8
95.04969	2.9
95.08582	1.9
98.22707	1.6
99.04452	20.3
103.03949	21.2
103.05473	8.9
104.06235	4.6
105.03426	2.4
105.04517	2.3
105.07053	6.7
107.04929	2.9
107.08598	12.6
109.02882	2.8
115.05457	57.7
117.07018	100.0
118.07365	4.9
119.04941	2.3
121.06502	35.1
121.10125	6.1
122.07167	1.4
127.03939	13.7
130.06503	2.5
132.08072	5.2
133.06496	2.7
135.08086	1.9
135.11638	2.1
145.06488	64.4
145.10092	3.7
146.06816	2.5
163.03885	5.3
163.07544	61.5
163.09764	3.1
163.11177	9.8
163.12337	3.1
163.14807	3.4
164.07965	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02368	0.9
53.03941	2.0
55.01866	0.8
55.05531	0.4
57.03426	1.1
62.36233	0.5
65.03929	1.0
65.20640	0.5
65.31076	0.4
68.99809	0.5
69.03426	1.9
69.07065	0.7
69.32154	3.1
71.04990	0.8
71.51621	0.5
74.74721	0.4
75.38126	0.5
77.03915	1.1
78.95222	0.5
79.05488	9.7
81.03402	0.5
81.07049	1.2
85.02882	2.7
89.02582	0.4
89.03912	8.1
91.05479	40.5
92.05811	1.0
93.07033	2.9
95.04969	3.6
95.08597	0.9
100.74940	0.5
102.04696	1.6
103.05467	100.0
104.05782	3.5
105.03387	1.8
105.04530	1.3
105.07019	4.9
106.06566	1.0
107.04955	17.2
107.08598	5.9
108.05228	0.6
110.86929	0.5
115.05460	5.0
117.03384	5.7
117.07008	4.4
118.06492	0.6
119.08591	3.2
120.05719	1.3
120.08105	0.6
121.02818	0.9
121.06506	1.4
121.10162	2.8
123.04449	0.5
130.04135	1.6
130.06529	1.5
130.07733	0.6
131.04927	93.8
132.05235	4.3
132.08049	1.3
133.02844	2.4
135.04413	34.9
135.08047	8.4
135.11690	0.6
136.04791	1.5
136.07561	0.8
145.02905	3.6
145.06477	5.6
145.07571	0.8
145.10080	0.8
148.05177	4.3
163.03911	20.6
163.07541	32.8
163.11169	3.9
163.12335	1.0
163.14810	1.6
164.04335	0.7
164.07986	1.2
172.62444	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02381	0.5
53.00319	0.6
53.03950	2.4
55.01879	2.2
55.05515	2.4
56.49530	0.4
57.03438	0.4
57.07089	0.5
61.02922	0.9
63.02102	0.5
65.03939	0.9
67.05505	2.0
68.99787	0.6
69.03432	3.4
69.07066	4.9
69.38599	2.0
71.04992	0.8
73.02898	0.4
75.91933	0.4
77.03916	1.0
79.05061	0.9
79.05495	12.4
81.03415	0.8
81.07065	6.1
83.08607	1.6
85.02892	5.3
89.03910	2.4
91.05479	9.7
93.03412	0.6
93.06467	0.8
93.07047	14.7
95.04980	3.8
95.08608	4.7
97.02917	0.9
100.54919	0.5
102.04656	0.7
103.05470	86.4
104.05764	2.9
104.59435	0.4
105.03424	1.0
105.04534	1.5
105.07035	8.8
107.04958	19.4
107.08595	26.4
109.02843	0.6
109.06513	1.2
109.10144	0.6
115.05466	3.4
117.03380	1.9
117.06995	4.5
119.08578	4.1
120.05723	1.9
121.06506	3.1
121.09290	0.9
121.10146	12.8
130.04141	0.7
130.07756	1.4
130.08633	0.4
131.04930	100.0
132.05244	4.4
133.02844	1.3
133.06491	0.5
133.10045	0.5
135.04427	5.0
135.08054	7.5
135.11676	6.0
135.89571	0.4
145.02872	1.1
145.06471	1.5
145.07631	0.6
145.10126	6.5
147.09041	0.4
148.05194	3.0
148.08839	1.0
163.03920	7.2
163.07549	49.0
163.11183	13.6
163.12483	1.0
163.14821	8.6
164.07982	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	beta-Dolabrin
Peak:m/z	Relative Intensity
53.03959	4.1
53.85021	0.6
55.01886	4.1
55.05519	0.8
57.12114	0.7
65.03929	4.8
67.05510	5.9
68.15043	0.7
68.99789	7.4
69.03432	6.6
69.07085	1.6
69.08002	3.0
69.08422	3.8
69.54491	0.7
70.26817	0.6
77.03923	1.0
77.41222	0.8
78.61053	0.8
79.05497	30.5
81.07055	4.1
84.08163	1.4
85.02940	1.1
89.03924	0.8
91.05487	54.8
92.05801	1.2
92.06297	2.0
93.03431	1.5
93.07047	16.2
94.04193	0.7
95.04971	6.7
95.08587	4.5
102.66677	0.7
103.05469	17.0
105.03413	2.3
105.04503	1.7
105.07036	23.1
106.04176	0.8
106.06564	2.1
106.07376	1.2
107.04960	7.2
107.08599	67.7
108.08929	1.5
109.06538	5.8
115.05469	11.0
117.05737	0.8
117.07023	20.8
118.07383	0.7
119.04960	2.8
119.06087	4.2
119.08588	8.2
120.05727	6.0
120.08089	1.0
121.06512	20.2
121.07353	1.3
121.10123	3.7
122.06876	0.8
122.09668	2.1
123.08044	0.6
124.05218	0.7
130.06557	3.3
130.07756	0.6
131.04941	17.0
132.08107	4.7
133.02847	2.4
133.06470	1.2
135.04437	4.8
135.08060	100.0
135.11685	2.4
136.08430	4.8
145.06517	7.2
145.10126	2.1
148.05220	5.5
163.03917	14.4
163.07544	43.0
163.11171	9.4
163.12328	2.4
163.14771	3.1
164.07875	2.0
164.10696	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.61792	0.5
51.97474	0.6
53.03939	2.5
55.01871	1.6
56.56207	0.6
65.03937	1.4
68.87448	0.7
69.01555	4.2
69.01965	1.6
69.03417	0.7
77.03919	1.0
79.05057	1.2
79.05491	14.5
81.03420	0.7
85.02907	1.2
89.03918	6.3
91.05477	100.0
92.05814	4.3
93.07059	1.6
95.04958	2.5
95.09695	0.6
98.22512	1.2
103.05463	63.1
104.05767	3.0
105.03394	1.4
105.04563	0.6
105.07018	2.3
107.04952	22.9
107.08588	3.7
108.05257	1.0
115.05452	4.8
117.03362	4.2
117.07015	7.1
119.08569	6.2
121.02845	0.9
121.06542	0.9
121.10141	1.4
123.04414	1.9
131.04922	57.4
132.05243	1.9
133.02844	1.4
135.04410	59.6
135.08028	6.4
136.04750	2.4
145.02846	3.4
145.06494	10.5
145.07558	1.0
145.10136	1.3
147.04424	0.7
148.05177	1.7
163.03905	14.2
163.06067	1.3
163.07529	30.2
163.11182	3.1
164.04276	1.1
164.07954	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02369	0.5
53.03935	1.1
54.12555	0.3
55.05510	0.5
58.20177	0.3
67.05518	0.6
69.03419	0.6
69.07059	1.0
69.54007	1.1
71.05011	0.3
77.03934	0.7
79.05494	3.0
81.07056	1.7
83.08598	0.4
85.02885	0.7
89.03917	1.2
91.05474	2.4
93.07048	3.4
95.04964	1.1
95.08602	0.8
102.04723	0.2
103.05465	82.4
104.05793	2.7
105.03407	0.3
105.04514	0.5
105.07027	2.3
107.04939	2.8
107.08588	5.4
115.05458	0.5
117.03372	1.2
117.07000	0.7
119.08561	0.6
120.05778	0.4
121.06486	1.1
121.10139	2.5
130.06500	0.5
131.04922	100.0
132.05235	4.1
133.02884	0.3
135.04407	2.3
135.08055	1.7
135.11688	1.1
145.02808	0.7
145.06476	0.4
145.10129	1.7
160.17868	0.3
163.03908	5.1
163.07533	39.5
163.11163	3.3
163.14798	2.2
164.07896	2.0
182.19507	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02377	0.5
53.03945	1.0
55.55570	0.4
56.64868	0.4
57.03444	0.7
60.04527	0.6
62.50999	0.4
66.13508	0.4
67.05482	0.3
71.04994	2.8
73.02897	0.4
77.03896	0.5
79.05499	1.7
83.04985	0.4
83.50668	0.4
85.02910	4.0
90.32497	0.4
91.05487	1.5
92.06222	0.4
93.07050	1.4
95.04971	0.7
99.04448	0.9
102.04665	0.7
103.05466	88.0
104.05798	3.0
105.03389	0.6
105.04495	0.5
105.07038	1.8
107.04946	3.3
107.08603	1.5
115.05481	0.5
117.07001	0.8
120.05724	0.5
121.06545	0.5
121.10137	1.5
131.04926	100.0
132.05232	3.7
132.08041	0.6
135.04379	1.0
135.08075	3.8
145.06575	0.4
145.10121	0.5
148.05220	0.8
155.81206	0.4
163.03867	2.7
163.07539	43.8
163.11169	2.1
164.07896	1.4
175.65176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.01596	0.2
51.02388	0.2
52.03712	0.2
53.03951	0.7
55.01878	0.2
63.02354	0.2
65.03944	0.1
67.05505	0.2
69.03435	0.2
69.54178	1.0
69.54546	0.1
71.29465	0.1
77.03941	0.5
77.36971	0.2
79.05496	1.0
81.03407	0.2
81.07034	0.4
91.05489	1.0
93.07053	1.2
95.04942	0.9
98.23321	0.3
99.91943	0.1
102.04691	0.3
103.05467	83.4
104.05798	3.1
105.03369	0.2
105.04528	0.4
105.07036	0.8
106.78151	0.2
107.04948	3.2
107.08607	0.8
115.05445	0.4
117.07027	0.4
119.08575	0.3
120.05734	0.3
121.06480	0.4
121.10149	0.4
130.06523	0.3
130.07777	0.1
131.04926	100.0
132.05238	4.0
133.02893	0.2
135.04410	0.6
135.08029	0.8
135.11673	0.3
145.10106	0.7
148.05177	0.3
163.03952	1.1
163.07536	39.7
163.11177	1.6
164.07904	1.8
166.40417	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02377	1.4
53.03947	5.9
53.69427	0.7
55.01860	2.5
55.05510	3.7
63.02366	2.4
65.03912	0.9
67.05482	2.3
69.03080	1.3
69.03429	16.9
69.07053	3.0
69.39762	5.1
69.40073	1.0
71.04968	2.1
73.16765	0.9
77.03924	2.3
79.05491	26.3
81.03423	1.1
81.07058	6.2
83.08609	1.5
85.02911	1.7
89.03915	77.6
90.04246	3.4
91.05481	19.6
92.05769	0.8
93.07044	69.9
94.07366	2.5
95.04963	6.5
95.08604	2.3
103.05469	17.1
105.04494	2.0
105.07023	16.6
106.07347	1.7
107.04948	26.4
107.08589	36.4
108.05300	0.9
108.08895	0.9
109.06496	1.5
115.05460	2.9
117.03378	62.4
117.07011	8.3
118.03699	3.2
119.08586	9.1
120.05740	1.0
121.06516	5.7
121.10133	10.1
129.06970	0.8
130.06607	0.9
130.07777	4.6
131.04927	13.5
132.08072	1.0
133.02895	1.0
133.06448	1.0
135.04414	99.2
135.08047	7.6
135.11700	14.4
136.04745	5.0
139.59929	0.8
143.08516	1.0
145.02852	36.5
145.06470	1.0
145.10114	34.3
146.03156	2.6
146.10487	1.9
148.08826	1.7
163.03903	97.5
163.07555	10.2
163.11179	100.0
163.14815	5.2
164.04222	6.7
164.11565	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.9
53.03950	6.2
54.45449	0.7
55.01870	2.7
55.05510	6.8
55.63752	0.7
57.03422	1.3
65.03933	1.0
67.05507	5.2
69.03433	28.2
69.07064	4.5
70.03759	0.8
71.04986	2.9
71.29218	1.0
72.59007	0.7
77.03917	1.8
79.05495	28.4
81.03445	1.1
81.07064	10.6
83.04992	0.9
85.02894	1.9
87.39664	0.6
87.89333	0.8
89.03909	2.3
91.05482	31.8
91.54417	0.8
92.05819	1.3
93.07045	96.0
94.07371	3.2
95.04974	9.8
95.08606	5.4
96.05296	0.9
103.05469	11.3
105.03381	1.3
105.04523	2.3
105.07037	42.6
106.07378	2.4
107.04972	6.9
107.08595	96.0
108.08936	3.0
109.06525	3.1
115.05443	2.4
117.07027	10.8
119.06082	2.0
119.08592	12.5
121.02850	1.6
121.06515	11.1
121.10135	15.0
124.77225	0.8
128.06259	0.8
129.07016	1.2
130.06734	1.3
130.07784	8.6
131.04930	11.2
132.08096	2.4
133.02863	1.4
133.06544	0.9
135.04445	4.8
135.08072	7.3
135.11693	34.2
136.12067	1.1
143.08568	2.8
145.06480	1.4
145.10123	48.1
146.10469	2.4
147.08084	1.0
148.08815	2.3
163.02545	1.0
163.03900	14.8
163.07550	6.2
163.11186	100.0
163.14836	5.0
164.11514	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03949	3.4
55.01876	0.7
55.05512	4.1
55.81997	0.5
57.02727	0.5
57.03451	0.7
61.02911	0.5
67.05495	2.0
69.03432	17.8
69.07075	2.3
69.13199	1.1
69.13596	3.4
70.03715	0.6
71.04990	1.7
71.30445	0.5
77.03939	1.2
79.05490	9.7
81.03400	0.5
81.07054	8.0
83.08600	0.8
85.02898	1.9
86.08752	0.5
89.03907	2.0
91.05479	17.7
92.05824	0.8
93.07043	78.0
94.07388	2.8
95.04972	3.8
95.08606	4.6
103.05470	6.8
105.04536	1.3
105.07030	14.2
105.07737	0.8
106.06507	0.6
106.07328	0.8
107.04956	2.7
107.08592	33.6
108.08933	1.1
109.06487	0.5
115.05444	0.9
117.03387	1.6
117.07028	5.4
119.08565	5.5
121.06516	5.0
121.10144	5.5
122.09682	2.8
128.06244	0.5
129.07050	0.5
130.07780	4.9
131.04924	7.3
133.02873	0.9
134.74033	0.5
135.04399	2.9
135.08076	2.3
135.11688	12.8
143.08557	1.6
145.02803	1.1
145.10120	38.0
146.10457	1.7
147.07991	0.6
148.08815	0.8
163.03934	5.8
163.07565	3.8
163.11179	100.0
163.14810	4.8
164.11612	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.0
53.03941	6.5
55.01870	6.2
55.05508	6.2
57.03424	1.3
57.07061	0.9
61.16004	0.8
63.02364	1.7
65.03934	2.2
67.05493	4.9
69.03429	20.4
69.07066	11.3
69.14854	5.9
71.04979	2.0
73.29195	0.7
77.03918	2.4
79.05487	34.3
81.03385	1.5
81.07055	15.9
83.01368	0.8
83.04961	1.0
83.08617	2.5
85.02903	6.9
89.03914	46.1
90.04247	1.4
91.05475	27.1
93.07039	73.0
94.07368	2.9
95.04971	8.8
95.08609	8.3
97.02886	0.9
98.23373	1.3
99.04443	0.8
103.04778	1.6
103.05463	32.7
104.05761	1.1
105.03383	1.6
105.04500	2.9
105.07023	29.5
106.06560	0.9
106.07260	0.9
107.04272	1.5
107.04951	19.3
107.08587	71.9
108.05293	0.9
108.08147	0.8
108.08891	2.4
109.06502	2.8
115.05438	5.9
117.03372	39.2
117.07014	14.3
118.03714	1.8
118.07369	2.3
119.06034	2.1
119.07784	1.0
119.08584	14.5
120.05695	0.9
121.02881	1.9
121.06499	13.0
121.10133	25.6
122.10489	1.2
123.08057	1.0
127.03884	0.8
129.07005	1.1
130.06561	2.2
130.07773	8.0
131.04922	34.6
132.05247	2.3
132.08066	2.6
133.02876	2.5
133.06491	1.3
135.04408	65.4
135.08037	20.3
135.09085	0.9
135.11681	20.2
136.04736	3.0
136.07518	1.4
136.12074	0.9
139.74991	0.8
143.08574	2.4
145.02846	27.5
145.03848	1.0
145.06555	4.9
145.08400	13.0
145.10114	35.8
146.03163	1.7
146.10461	2.4
148.08792	2.4
163.03902	71.3
163.07533	22.8
163.11172	100.0
163.14807	13.9
164.04243	4.0
164.05530	0.8
164.06943	1.0
164.11534	5.1
164.15346	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.1
53.03949	4.4
55.01876	6.5
55.05515	8.3
57.03438	1.8
65.03943	0.9
67.05503	4.4
69.03427	10.5
69.07076	4.0
71.04985	4.7
71.31429	1.2
77.03900	1.4
79.05494	21.2
81.03411	1.3
81.07056	16.7
83.04967	1.3
85.02899	2.2
89.03923	1.0
91.05483	23.1
91.83899	0.7
92.02620	1.2
92.05827	1.1
93.07045	45.7
94.06580	1.0
94.07372	2.2
95.04972	8.7
95.08609	3.5
97.02908	1.1
103.05470	89.3
104.05763	3.9
105.03374	3.7
105.04536	2.5
105.07030	37.8
106.06567	2.2
106.07309	0.9
107.04957	10.7
107.07433	8.2
107.08594	47.0
108.08912	1.9
109.06513	3.1
115.05459	3.4
117.03362	1.0
117.05730	1.3
117.07002	9.4
119.04903	1.4
119.06119	0.9
119.08588	13.8
120.05740	1.5
120.08105	1.3
121.06516	11.0
121.10137	14.0
122.09666	27.5
130.06548	3.6
130.07784	6.2
131.04929	100.0
132.05260	4.2
132.08083	5.6
133.02892	5.1
133.06480	1.9
133.10101	1.3
135.04408	8.1
135.08057	9.3
135.11697	10.8
135.58513	0.8
143.08536	1.4
145.06456	0.9
145.10124	31.6
146.10489	1.5
148.05205	2.6
148.08839	3.2
152.74864	0.8
163.03911	20.4
163.07538	37.9
163.08716	2.0
163.11177	71.7
163.12241	2.6
163.14824	5.1
164.04317	1.2
164.07968	1.8
164.10562	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03946	4.1
54.51235	0.7
55.01875	2.1
55.05511	14.1
57.07072	1.2
65.03946	1.5
67.05506	15.4
69.03425	1.7
69.07069	22.6
77.03923	1.7
79.05492	45.1
80.05812	1.5
80.83167	0.7
81.03403	1.4
81.07056	60.9
82.07386	2.0
83.04971	0.7
83.08626	15.2
85.02901	0.8
86.71935	0.8
89.03933	2.3
91.05482	16.9
93.07043	58.4
94.07384	2.1
95.04964	4.6
95.08605	59.2
96.08958	2.2
97.10162	1.4
103.05465	5.4
105.03392	2.4
105.04535	1.9
105.07036	11.5
106.06589	1.2
107.04965	3.1
107.08593	100.0
108.08920	5.1
109.06527	2.0
109.10170	2.9
115.05444	1.1
117.03343	1.7
117.05735	1.7
117.07045	3.1
119.06084	1.4
119.08591	2.9
121.06483	2.4
121.10142	35.6
122.09672	1.4
122.10522	1.8
130.06534	3.0
130.07817	1.0
131.04924	5.7
132.08076	4.2
133.02847	3.8
133.10118	1.4
134.72708	0.7
135.04427	6.8
135.08072	2.1
135.11696	12.2
145.02840	1.1
145.06464	1.4
145.10132	3.3
163.03900	18.0
163.05141	1.7
163.07458	3.4
163.08762	1.0
163.11172	12.8
163.12415	2.8
163.14818	69.0
164.04257	1.4
164.07057	1.6
164.11624	1.1
164.15179	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03943	1.8
55.01869	0.5
55.05510	9.0
57.07074	1.6
65.03946	1.2
67.05515	5.6
69.07069	27.6
70.07401	0.6
71.30252	0.4
77.03901	0.7
79.05494	19.2
80.05037	0.4
80.05844	1.0
81.07057	25.1
82.07397	0.9
83.08620	7.6
91.05482	12.4
93.07044	39.6
94.07375	0.9
95.04977	1.4
95.08609	27.6
96.08920	1.0
103.05451	0.7
105.03411	0.8
105.04543	0.9
105.07034	8.5
106.06556	1.1
107.08595	100.0
108.08893	3.7
109.06501	1.3
109.10143	2.1
115.05445	0.6
117.07015	1.7
119.06068	1.1
119.08591	3.5
121.06522	1.1
121.10146	35.9
122.09698	0.4
122.10512	1.9
122.13515	0.4
130.06516	2.7
132.08064	2.7
133.02773	0.5
133.10144	0.6
135.04416	1.0
135.10660	0.8
135.11694	15.4
136.12024	0.9
145.06493	1.0
145.10124	1.3
161.13271	0.8
163.03897	3.2
163.07574	1.0
163.11182	5.2
163.12450	1.2
163.14825	53.7
164.07013	0.5
164.15225	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03938	2.3
54.42899	0.7
55.01874	1.4
55.05516	6.6
57.07072	1.8
63.14803	0.8
64.56908	0.7
65.03938	1.2
67.05502	5.6
69.03445	0.8
69.07071	29.4
69.89398	1.4
69.89740	3.5
70.54175	0.9
79.05493	22.5
80.05804	1.0
81.04560	0.8
81.07056	24.1
83.08620	6.4
91.05477	14.0
93.07047	42.8
94.07381	1.8
95.04955	2.6
95.08610	24.7
96.08954	0.9
98.23010	2.1
105.03377	1.9
105.04487	0.9
105.07035	11.8
106.06579	1.5
106.07306	1.0
107.04957	1.5
107.08596	100.0
107.77328	0.8
108.08922	3.3
109.06510	2.1
109.10155	2.4
115.05467	0.9
117.05733	1.9
117.06999	2.7
119.08595	14.2
120.08077	1.3
120.08829	0.9
121.06506	2.9
121.10146	44.0
122.10444	1.2
130.06528	4.3
130.07770	1.1
132.08096	5.1
133.02849	1.3
133.10043	0.8
135.04417	1.6
135.08058	0.9
135.11699	18.0
136.12013	1.3
145.10095	5.9
156.97691	0.7
163.03929	4.5
163.07553	1.1
163.09790	1.7
163.11169	17.6
163.12370	2.5
163.14824	52.7
164.07050	1.0
164.15182	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.16129	0.4
53.03946	2.1
55.05512	11.7
57.07065	0.9
64.79060	0.4
65.03929	1.0
67.05507	12.3
67.77137	0.5
68.68616	0.4
69.07069	20.3
70.07407	0.6
70.90578	1.0
77.03912	0.6
79.05493	33.0
80.05824	1.1
81.07057	53.8
82.07391	1.5
83.08620	14.6
84.08936	0.6
91.05478	10.3
92.05798	0.6
93.07043	50.9
94.07359	1.9
95.04974	2.0
95.08607	54.9
96.08939	2.0
97.10159	1.1
103.05459	1.4
105.04508	1.0
105.07028	6.2
106.06626	0.6
107.04976	0.8
107.08592	100.0
108.08923	4.1
109.06508	1.3
109.10156	2.8
117.05781	0.5
117.07003	0.7
119.06049	1.3
119.08590	1.7
121.10140	34.8
122.10477	1.2
130.06532	0.9
131.04900	1.1
132.08095	1.2
133.02841	0.7
133.10153	0.8
135.04350	1.0
135.08044	0.7
135.11687	11.8
145.10126	0.5
163.03928	3.5
163.07541	0.6
163.14816	70.4
164.15182	4.7
184.53824	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03941	1.7
53.68316	0.4
55.01870	1.1
55.05507	7.1
57.03444	0.5
57.07070	1.0
63.02389	0.5
65.03939	1.4
67.05503	4.8
69.03431	1.0
69.07069	20.7
70.07395	0.7
70.89234	0.9
71.08649	0.4
77.03899	1.0
79.05492	24.5
80.05832	0.8
81.03402	0.4
81.07056	28.1
81.34530	0.4
82.07384	0.8
83.04980	0.6
83.08616	6.3
85.02899	1.2
89.03916	6.9
91.05481	18.6
92.05794	0.7
93.07042	38.4
94.07360	0.9
95.04974	2.6
95.08606	22.0
96.08978	0.4
97.10120	0.4
103.05470	6.8
105.03391	0.6
105.04493	1.3
105.07027	9.0
107.04971	3.5
107.08592	100.0
108.08896	4.0
109.06507	1.8
109.10157	1.7
115.05429	1.9
116.04966	0.8
117.02576	0.6
117.03378	6.2
117.05766	0.6
117.07034	3.5
118.06518	1.4
119.06065	1.6
119.08591	3.8
120.05720	0.5
121.06490	1.6
121.10140	28.7
122.10450	1.1
123.08121	0.5
129.43579	0.4
130.06494	0.5
130.07735	1.0
131.04921	7.0
132.05295	0.6
132.08093	1.2
133.02849	1.5
133.10146	0.5
135.04417	10.6
135.08052	6.1
135.11690	12.5
136.07581	1.3
136.12041	0.7
143.08557	0.5
145.02846	2.9
145.06511	0.8
145.10139	4.1
161.13185	0.4
163.02518	0.5
163.03903	11.9
163.07524	7.0
163.11186	9.1
163.14818	43.3
164.04259	0.6
164.07042	1.6
164.11597	0.6
164.15189	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03943	2.0
55.05514	11.9
55.49779	0.6
62.72295	0.7
65.03930	1.4
67.05161	0.5
67.05502	13.0
69.07068	21.3
71.30919	1.0
73.47865	0.6
79.05493	37.0
80.05811	1.0
81.03385	0.7
81.07059	55.8
82.07393	2.0
83.08619	14.7
84.08920	0.8
91.05478	12.2
93.07042	54.7
94.07382	2.2
95.04980	2.2
95.08607	54.8
96.08931	1.1
103.05478	0.9
105.04527	1.2
105.07030	7.0
106.06605	0.6
107.08594	100.0
108.08913	4.4
109.06492	1.6
109.10174	2.7
117.07030	0.8
119.06055	1.4
119.08578	2.4
121.10141	34.5
122.10452	1.2
125.81551	0.6
130.06535	1.4
132.08104	1.7
133.02849	0.7
135.08069	0.7
135.11693	12.2
145.10127	2.2
150.01579	0.6
160.47122	0.6
161.13332	1.0
163.03893	3.9
163.11182	6.6
163.14819	70.6
164.15227	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03945	2.9
55.05508	8.2
56.67179	0.5
57.07076	0.6
58.86846	0.4
61.89129	0.4
64.98370	0.5
65.03944	1.2
67.05503	13.9
69.03426	1.3
69.07068	14.4
70.07399	0.6
77.03943	1.1
79.05492	30.2
80.05816	1.1
81.03407	0.5
81.07056	100.0
81.78848	0.5
82.07388	3.8
83.08611	7.1
85.02890	0.8
89.03916	1.8
91.05481	12.0
92.05831	0.6
93.07043	46.2
94.07354	2.5
95.04987	3.1
95.08605	32.1
96.08978	1.2
97.10204	0.7
98.22554	1.2
103.05476	2.1
103.57371	0.5
105.04529	1.2
105.07031	5.3
107.04977	2.9
107.08592	66.3
108.08900	3.1
109.06504	1.3
109.10175	1.6
117.03392	1.1
117.07041	1.2
119.06081	0.9
119.08568	1.4
121.06492	1.2
121.10144	21.1
122.09670	0.6
122.10478	0.9
130.06462	0.5
131.04913	3.1
132.08041	0.5
133.02850	0.8
133.10075	0.8
135.04424	3.0
135.08080	1.6
135.11696	8.8
145.02841	1.2
145.10120	1.8
163.03894	4.5
163.07533	2.0
163.11211	5.2
163.14818	42.3
164.04298	0.6
164.15265	2.3
174.12531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03953	2.9
55.05510	5.0
56.05838	0.6
56.80878	0.5
57.07047	0.6
62.40697	0.5
65.03936	1.0
67.05502	5.2
69.07069	12.3
70.07457	0.5
71.50173	0.6
73.71899	0.5
79.05495	32.6
80.05031	0.6
80.05836	1.3
81.07058	64.9
82.01728	0.6
82.07389	2.3
83.08620	5.5
91.05482	8.7
93.07045	22.9
94.07398	1.0
95.04977	2.0
95.08611	20.9
96.08944	1.3
103.05461	2.8
105.03383	1.3
105.04531	0.9
105.07042	5.9
106.06535	1.0
107.04948	1.1
107.08595	100.0
108.08930	4.9
108.68173	0.5
109.06538	0.9
109.10133	1.0
117.05764	2.0
117.07027	0.7
119.06074	0.9
119.08582	1.6
121.10145	16.5
122.09678	1.0
122.10514	0.6
130.06538	3.2
131.04944	2.6
132.08087	3.4
133.02856	2.6
133.07610	0.5
135.04413	2.6
135.08063	1.4
135.11699	6.3
145.10091	0.9
146.05980	0.7
163.03903	9.4
163.05142	0.9
163.07561	1.6
163.11156	1.6
163.12383	2.2
163.14819	29.7
164.07106	0.9
164.10695	0.7
164.15199	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24931	0.4
54.63328	0.4
57.00980	0.3
62.03454	0.4
65.09376	0.4
65.32140	0.4
69.08344	0.4
70.73464	0.7
70.73795	0.6
82.01419	0.5
82.99841	5.3
83.99935	0.4
98.72361	0.4
100.02473	1.5
101.00878	50.7
102.00944	3.4
111.00386	0.5
116.44460	0.4
119.01914	100.0
120.02003	7.1
124.02436	6.4
137.02946	16.9
137.03999	0.9
138.03064	1.1
142.03494	63.5
143.03630	4.7
160.04558	13.2
161.04630	0.8
165.05141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
57.93658	0.3
69.03426	0.6
71.29053	0.5
74.02451	0.5
74.67790	0.3
82.99831	4.8
83.00291	0.5
83.99917	0.3
86.67060	0.2
88.89310	0.3
91.05492	1.8
94.64915	0.3
95.04980	5.1
100.02487	1.1
101.00883	41.0
102.00949	2.6
103.05423	0.4
111.00430	0.5
115.02485	0.3
118.03531	0.5
119.01925	100.0
119.04900	3.8
120.02002	5.4
121.06597	0.4
123.04438	6.4
124.02463	5.6
125.02641	0.3
125.99175	0.3
133.02753	0.4
137.02962	22.8
138.03065	1.4
142.03503	58.1
143.03610	4.2
147.04427	2.2
160.04558	15.2
161.02951	0.3
161.04680	0.6
165.05281	1.0
165.10268	0.3
167.69199	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.3
53.03955	0.5
55.05521	0.7
65.03935	1.8
65.44432	0.3
65.94980	0.3
66.70527	0.3
67.05506	2.4
69.03436	0.6
69.26624	2.6
79.05500	1.2
81.07065	2.1
82.99853	0.4
91.05483	29.7
92.05817	0.9
93.07037	1.6
95.04963	3.2
95.08603	2.3
101.00876	4.0
103.05441	0.5
105.07038	2.9
107.08619	1.9
109.06530	1.5
109.10152	1.8
110.38255	0.3
119.01936	13.0
119.04945	55.1
119.08574	1.9
120.02045	0.6
120.05256	2.3
121.10152	0.6
122.07250	0.4
123.04443	1.8
123.08093	0.7
123.11723	0.5
124.02470	0.5
133.06496	0.6
137.02985	3.3
137.05972	1.8
137.09618	2.0
142.03494	8.0
143.03627	0.7
147.04410	100.0
147.11702	1.2
148.04750	4.7
160.04494	2.0
165.01784	0.4
165.05562	1.7
165.06711	0.4
165.09145	3.3
165.12805	2.4
180.11177	0.3
184.83565	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59238	0.2
51.02367	0.2
55.01867	0.2
65.03931	1.7
66.43325	0.2
67.05505	0.3
67.23228	0.2
67.39912	0.2
69.37010	1.4
74.42949	0.2
77.03922	0.2
81.07085	0.3
89.81163	0.2
91.05479	28.8
92.05843	1.0
93.07066	0.3
95.04974	2.1
101.00864	0.4
103.05473	0.3
105.07027	0.3
107.08609	0.2
119.02036	1.2
119.04941	58.0
119.08588	0.5
120.05261	2.1
123.04430	1.3
123.08156	0.2
142.03497	0.6
147.04405	100.0
148.04745	5.0
165.05473	0.7
165.09056	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03949	0.3
57.26738	0.2
58.99747	0.2
65.03930	1.6
70.14526	0.2
70.33527	0.6
76.34591	0.2
88.90105	0.2
91.05485	28.7
92.05807	1.2
93.07028	0.2
95.04975	1.4
99.48995	0.2
101.00917	0.2
106.42488	0.2
119.01927	0.6
119.04945	58.0
120.05270	2.3
123.04421	1.5
137.09650	0.3
147.04411	100.0
148.04755	4.4
163.82219	0.2
165.05450	1.0
165.09148	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02378	0.4
53.03938	0.8
54.18187	0.3
55.01868	1.1
55.05511	0.5
59.86044	0.3
65.03938	2.7
67.05507	2.7
69.43777	0.7
69.44185	1.1
77.03927	0.4
79.05492	5.0
81.07057	1.4
87.43788	0.3
91.05478	33.2
92.05817	1.0
93.03373	0.5
93.07034	1.1
94.04221	0.4
95.04965	3.9
95.08601	1.2
101.00880	0.7
103.05469	3.5
103.09093	0.3
105.04494	0.6
105.07028	23.4
106.07334	0.5
107.08572	0.6
109.06555	1.3
109.10168	1.6
111.04472	0.7
117.07043	0.5
119.01957	2.1
119.04937	58.3
119.08586	2.2
120.05269	2.1
121.10130	0.3
122.03653	1.2
122.07269	0.3
123.04420	2.9
123.08122	0.4
124.05231	0.6
133.06487	15.6
134.06798	0.7
135.04333	0.3
137.02997	0.7
137.05971	19.6
137.09575	2.7
138.06331	0.7
142.03542	1.4
147.04402	100.0
147.08020	1.6
148.04752	4.2
160.04617	0.6
165.05446	1.3
165.09099	5.3
165.12752	0.4
165.61487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03946	0.7
55.01870	1.1
55.05511	0.7
65.03925	3.1
67.05503	4.6
69.03417	1.5
69.07048	1.1
71.30350	1.0
79.05505	2.8
81.07057	5.1
83.04976	1.2
84.34384	0.5
85.02927	0.5
91.05482	32.2
92.05821	0.9
93.07040	2.9
95.04969	4.8
95.08603	6.7
97.02834	0.5
101.00887	0.7
105.07032	4.1
107.08600	4.3
109.06499	2.3
109.10154	5.0
119.01997	2.9
119.04942	58.3
119.08558	3.3
120.05278	2.4
121.10136	1.1
123.04440	2.3
123.08049	1.8
123.11707	0.8
133.06534	0.6
137.02975	0.6
137.05962	1.5
137.09615	2.3
137.13266	1.4
142.03479	1.5
147.04408	100.0
147.11684	3.0
148.04741	4.1
161.51305	0.5
165.05453	2.1
165.09108	3.4
165.12761	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.3
53.03955	0.5
55.05521	0.7
65.03935	1.8
65.44432	0.3
65.94980	0.3
66.70527	0.3
67.05506	2.4
69.03436	0.6
69.26624	2.6
79.05500	1.2
81.07065	2.1
82.99853	0.4
91.05483	29.7
92.05817	0.9
93.07037	1.6
95.04963	3.2
95.08603	2.3
101.00876	4.0
103.05441	0.5
105.07038	2.9
107.08619	1.9
109.06530	1.5
109.10152	1.8
110.38255	0.3
119.01936	13.0
119.04945	55.1
119.08574	1.9
120.02045	0.6
120.05256	2.3
121.10152	0.6
122.07250	0.4
123.04443	1.8
123.08093	0.7
123.11723	0.5
124.02470	0.5
133.06496	0.6
137.02985	3.3
137.05972	1.8
137.09618	2.0
142.03494	8.0
143.03627	0.7
147.04410	100.0
147.11702	1.2
148.04750	4.7
160.04494	2.0
165.01784	0.4
165.05562	1.7
165.06711	0.4
165.09145	3.3
165.12805	2.4
180.11177	0.3
184.83565	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
55.01863	0.6
56.96584	0.4
65.03924	1.7
67.05506	1.1
69.03395	0.5
69.05260	3.8
79.05489	1.4
81.07053	1.0
91.05479	25.5
92.05814	0.8
94.04185	0.5
95.04969	1.3
95.08575	0.5
98.22632	0.7
101.00861	2.8
103.05458	0.5
105.03409	0.4
105.07039	1.5
107.04953	0.9
109.06525	0.9
109.10156	0.6
119.01932	7.8
119.04941	58.2
119.08569	1.3
120.02012	0.5
120.05254	2.3
120.08089	2.2
122.03679	0.6
123.04434	3.6
123.08096	0.7
124.02440	0.5
133.02840	1.6
133.06441	0.5
137.03015	2.1
137.04961	0.7
137.05972	8.0
137.09637	0.6
142.03503	4.5
146.82433	0.4
147.04407	100.0
148.04749	4.8
150.03139	0.6
160.04527	1.3
165.05478	19.8
165.09074	0.7
166.05872	1.4
182.99680	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.4
53.03959	0.3
54.83685	0.3
55.01871	1.1
65.03927	1.8
67.05498	1.2
69.03411	0.6
70.18953	0.3
70.34898	1.0
77.00648	0.5
77.45474	0.3
79.05482	3.1
81.07047	1.0
91.05480	27.5
92.05797	0.8
93.07027	0.8
95.04971	1.7
95.08595	0.9
99.04950	0.3
101.00874	2.1
103.05461	1.3
105.07030	8.6
106.07416	0.3
107.04938	0.9
109.06529	1.3
109.10134	0.8
110.16752	0.3
117.07006	0.4
119.01936	4.4
119.04940	60.0
119.08582	3.0
120.05263	2.5
120.08114	0.7
122.03664	0.8
123.04419	5.2
123.08068	0.7
124.02455	0.4
125.33669	0.3
133.06494	6.2
137.02930	0.8
137.05977	13.6
137.09579	0.5
142.03519	2.4
147.04404	100.0
147.08014	1.5
148.04747	3.6
152.09024	0.3
160.04565	0.9
165.05476	18.4
165.09102	3.8
166.05847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01870	1.1
55.05511	0.7
65.03925	3.1
67.05503	4.6
69.03417	1.5
69.07048	1.1
71.30350	1.0
79.05505	2.8
81.07057	5.1
83.04976	1.2
84.34384	0.5
85.02927	0.5
91.05482	32.2
92.05821	0.9
93.07040	2.9
95.04969	4.8
95.08603	6.7
97.02834	0.5
101.00887	0.7
105.07032	4.1
107.08600	4.3
109.06499	2.3
109.10154	5.0
119.01997	2.9
119.04942	58.3
119.08558	3.3
120.05278	2.4
121.10136	1.1
123.04440	2.3
123.08049	1.8
123.11707	0.8
133.06534	0.6
137.02975	0.6
137.05962	1.5
137.09615	2.3
137.13266	1.4
142.03479	1.5
147.04408	100.0
147.11684	3.0
148.04741	4.1
161.51305	0.5
165.05453	2.1
165.09108	3.4
165.12761	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	hinokitiol
Peak:m/z	Relative Intensity
55.05508	3.2
56.44871	0.4
63.50840	0.5
65.03925	0.5
67.05505	21.6
68.05836	0.7
69.07285	3.4
79.05503	2.1
80.64776	0.4
81.03397	0.5
81.07053	7.4
83.04990	4.0
91.04971	0.5
91.05479	5.8
93.07018	1.2
95.04948	1.7
95.08598	1.9
101.00867	1.2
105.07053	0.8
107.04935	3.3
107.08601	1.2
109.06515	1.6
109.10153	21.7
110.10490	0.9
116.20649	0.4
117.07018	1.2
119.01906	2.8
119.08578	17.4
120.08894	0.6
121.06477	1.5
122.06413	0.9
122.07285	14.8
125.08208	0.6
135.08153	0.4
137.02939	0.5
137.09613	51.6
138.09943	2.6
142.03484	2.0
147.07974	0.7
155.80627	0.5
160.04573	0.6
165.09111	100.0
166.09427	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	hinokitiol
Peak:m/z	Relative Intensity
53.03930	0.9
55.05508	3.2
65.03946	0.8
66.55101	0.5
67.05505	22.6
68.05837	0.7
69.03397	0.6
69.07075	1.1
69.10594	3.2
69.11009	1.3
70.85839	0.5
79.05501	2.6
81.07060	7.7
83.04979	4.1
91.05479	5.8
93.07042	1.5
93.08448	0.6
95.04977	4.6
95.08600	2.8
98.23023	2.4
101.00881	2.9
103.05468	0.8
104.06268	0.6
104.98640	0.6
105.07043	0.9
107.04958	4.0
107.08597	2.3
109.06519	2.6
109.10156	21.9
116.51208	0.6
117.07000	0.7
119.01922	15.5
119.08575	16.7
120.02002	0.6
120.08918	0.6
121.06509	1.1
121.94775	0.5
122.07294	16.8
124.02482	0.7
127.30632	0.5
135.08076	0.6
137.02986	4.8
137.05984	1.8
137.09615	48.5
138.09961	2.4
142.03513	10.0
143.03673	0.8
147.08087	0.6
160.04556	3.4
165.09117	100.0
165.12761	2.4
166.09492	5.6
176.42667	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	hinokitiol
Peak:m/z	Relative Intensity
50.78392	1.0
53.03939	7.8
55.01871	6.7
55.05517	14.0
59.04948	1.0
61.73130	1.1
65.03933	7.7
67.01861	4.1
67.05506	100.0
68.05843	2.1
69.03426	5.9
69.07066	5.4
70.11590	1.0
70.44184	2.4
70.44543	2.3
71.05023	1.4
77.03907	2.6
79.05492	23.0
81.03403	3.3
81.07060	25.9
83.04979	4.5
91.05483	55.7
92.05827	2.6
93.07047	35.2
95.04971	53.7
95.08609	26.8
96.08941	1.6
97.02901	1.5
101.00887	9.1
103.05468	4.5
105.04539	1.9
105.07033	12.1
107.04964	5.7
107.08608	7.9
109.02875	4.9
109.06518	14.8
109.10155	80.9
110.10526	3.4
111.04433	26.1
117.07040	9.8
119.01930	20.9
119.04946	15.7
119.08578	50.8
120.08112	2.5
120.08903	2.5
121.06477	1.3
121.10154	9.6
123.04439	21.4
123.08058	9.0
123.11677	1.6
128.06281	1.2
129.07014	5.2
133.06468	3.6
137.02971	2.9
137.06035	7.0
137.09616	83.6
138.09952	3.0
142.03522	10.7
147.04413	22.7
147.08041	29.6
147.11589	1.8
148.04808	2.1
148.08359	2.2
160.04594	2.9
165.09102	21.9
165.12743	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	2-Hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
50.01577	0.2
50.83764	0.3
51.02363	0.5
53.03938	1.1
55.01865	0.9
55.05511	2.5
55.56813	0.2
63.94402	0.2
65.03938	0.4
67.05501	3.5
69.03439	0.4
69.07072	0.3
69.21532	1.2
69.21940	0.6
77.03929	1.3
79.05491	3.0
81.03414	0.4
81.07053	2.0
82.99850	0.3
88.56821	0.2
91.05481	7.2
92.53213	0.2
93.07043	2.6
95.04958	2.7
95.08609	2.6
101.00891	2.2
102.00983	0.2
103.05475	1.7
105.03394	1.9
105.04510	0.3
105.07034	8.8
107.04958	6.3
107.05693	0.3
107.08595	0.6
109.06518	1.7
109.10147	1.6
111.04393	0.3
115.05449	0.4
117.07034	0.7
119.01928	5.8
119.04930	4.2
119.08585	7.1
120.02065	0.3
120.08101	0.6
120.08892	0.4
121.06501	0.6
121.10133	0.8
122.03663	0.6
123.04429	100.0
123.08043	6.0
123.11707	0.5
124.02419	0.3
124.04746	3.3
132.05667	0.4
133.02846	0.3
133.06494	5.0
133.07430	0.5
137.02989	1.2
137.05978	6.9
137.09599	1.5
138.06349	0.3
142.03510	3.9
143.03638	0.3
147.04401	4.8
147.08064	3.4
147.11737	0.5
150.06841	0.3
158.60406	0.2
160.04582	0.6
165.05510	1.4
165.09125	4.1
165.12727	0.6
175.65601	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
53.03940	2.0
55.01875	3.9
58.98434	0.5
65.03937	1.3
69.21404	2.3
69.21826	1.8
77.03984	0.6
79.05492	16.7
81.07053	1.8
87.05814	0.6
91.05470	4.2
93.03431	1.4
94.04198	1.7
95.04957	2.1
101.00880	2.0
102.58685	0.5
103.05466	10.0
105.07030	100.0
106.07372	3.5
109.06545	4.2
112.73709	0.5
115.05470	1.0
118.85707	0.5
119.01948	3.7
119.04943	1.4
119.08582	2.2
120.08100	0.6
122.03642	5.8
123.04445	1.3
123.08054	0.5
124.05222	3.5
128.08899	0.5
133.06490	77.9
134.06805	4.1
135.04436	0.7
137.05977	78.9
137.09521	1.2
138.06299	3.2
142.03500	2.8
147.04422	2.3
148.85530	0.6
150.06763	1.7
151.07527	0.5
160.04575	0.6
165.09120	18.3
166.09470	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	hinokitiol
Peak:m/z	Relative Intensity
51.02383	1.2
52.88478	1.0
53.03943	3.7
54.41553	0.8
55.01869	4.6
55.05506	6.7
56.66731	0.8
57.03440	1.4
65.03935	3.7
67.05506	63.6
68.05823	1.0
69.03432	2.9
69.07062	3.4
71.30002	1.1
79.05492	23.8
80.05854	0.8
81.03416	1.5
81.07057	26.5
81.83495	0.9
82.99837	2.0
83.04977	2.9
91.04958	1.6
91.05481	20.0
92.05788	0.9
93.03438	1.2
93.07052	13.7
94.04173	2.5
95.04972	21.4
95.08043	1.6
95.08609	21.5
101.00255	1.7
101.00889	22.2
102.00990	1.2
103.05447	7.7
105.07030	58.5
106.07351	2.1
107.04961	3.0
107.08578	9.8
109.02892	1.5
109.06519	14.4
109.10158	63.6
110.10490	2.2
111.04462	2.4
117.07008	4.0
119.01923	70.6
119.04945	3.4
119.08581	22.0
120.02020	6.5
120.08099	4.7
120.08885	1.6
121.10155	5.1
122.03645	3.6
122.07332	1.5
123.04446	2.5
123.08089	5.0
124.02477	2.3
124.05209	2.3
126.89046	1.0
133.02881	5.9
133.05605	1.9
133.06490	34.4
134.06828	1.6
135.04480	1.1
135.08064	1.2
137.02969	21.5
137.05978	45.0
137.09613	100.0
138.03099	1.5
138.06311	2.1
138.09990	4.6
142.02385	2.0
142.03499	41.0
142.96736	1.3
143.03625	3.3
147.04378	2.9
147.08017	7.7
147.11690	4.3
150.06816	2.2
160.04535	14.2
161.04724	1.0
165.05322	2.8
165.06880	1.6
165.09117	22.8
165.10464	1.6
165.12759	8.5
166.04955	1.3
166.09676	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.00303	1.6
53.03936	4.4
55.01861	2.0
55.05509	20.5
57.03423	2.8
57.07055	4.0
59.04989	1.6
65.03933	3.8
66.83506	1.3
67.05505	51.5
68.05820	1.8
69.03429	67.6
69.07069	65.0
70.03745	1.9
71.04984	13.4
71.28893	1.8
71.29224	1.6
79.05495	38.9
81.07057	78.8
82.07375	1.9
82.99841	3.1
83.04985	16.8
83.08621	2.3
85.06535	2.4
91.05479	29.1
92.05773	1.9
93.07042	24.6
95.04982	15.0
95.08605	60.2
97.06530	7.8
101.00882	24.5
102.00977	1.9
103.05438	2.5
105.07027	44.0
107.04982	7.0
107.08595	72.2
108.05746	2.0
108.08932	2.9
109.06516	32.4
109.10159	30.4
110.07345	6.8
112.88783	1.4
117.07018	5.2
119.01919	76.2
119.08579	47.2
119.09431	2.3
120.02010	6.0
121.06464	1.8
121.10143	24.1
122.07301	16.8
123.08071	36.6
123.11705	12.8
124.02456	4.3
124.08817	4.9
127.07536	2.5
137.02953	20.8
137.06017	3.5
137.09613	57.8
137.13187	3.3
138.10002	1.5
142.03506	46.7
143.03636	2.9
147.08026	4.7
147.11684	32.5
148.12071	2.0
160.04605	12.5
165.05356	2.8
165.09114	100.0
165.12758	63.8
166.09462	3.8
166.13091	3.8
179.76190	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88733	0.3
53.03943	1.3
55.01869	0.9
55.05512	4.6
57.07068	1.7
59.04990	0.5
61.07297	0.3
64.09294	0.3
65.03933	3.7
67.05506	27.1
68.05841	0.8
69.03437	1.4
69.07063	3.4
69.52953	1.4
71.04996	3.7
71.08624	0.7
77.03923	0.7
79.05491	15.8
81.03413	0.6
81.07055	16.3
82.07407	0.4
83.04984	1.6
83.08615	1.4
85.06519	0.5
85.10196	0.6
89.58066	0.3
91.05479	42.0
92.05799	1.6
93.07043	9.8
94.04202	0.3
95.04361	0.6
95.04968	9.1
95.08606	18.2
96.08927	0.3
97.06525	0.3
101.00880	0.9
103.05447	1.1
105.04514	0.4
105.07037	6.4
106.07352	0.3
107.04974	1.4
107.08589	6.3
108.08882	0.4
109.02859	0.5
109.06531	3.7
109.10154	37.7
110.10513	1.6
111.04452	0.7
117.07039	1.4
119.01962	2.1
119.04941	61.6
119.08576	11.7
120.05258	2.7
120.08102	0.5
120.08840	0.6
121.10154	3.4
122.03682	0.3
122.07274	0.4
123.04424	2.8
123.08073	3.5
123.11701	7.5
124.11990	0.4
129.06917	0.4
133.02786	0.5
133.06412	0.6
136.08887	0.5
137.02985	0.5
137.06012	1.4
137.09612	27.1
137.13214	0.8
138.09950	1.4
142.03471	1.1
147.04405	100.0
147.08029	2.7
147.11684	3.8
148.04727	5.1
158.19984	0.3
165.05510	1.7
165.06793	0.3
165.09094	5.6
165.12750	6.5
165.16402	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03943	3.3
55.01866	1.3
55.05505	10.5
57.03444	5.4
57.07080	7.5
59.04983	3.4
60.68870	1.1
65.03925	4.5
67.05503	43.6
68.05814	1.5
69.03421	10.4
69.07066	14.1
69.71880	4.1
71.04982	3.5
79.05489	27.0
80.05829	1.2
81.03414	3.4
81.07054	43.1
82.07431	1.3
83.04966	4.7
83.08610	2.5
91.05478	40.6
92.05801	1.3
93.07037	18.8
94.07362	1.5
95.04968	57.5
95.08603	44.3
96.05301	2.3
96.08932	1.9
101.00883	1.8
103.05459	3.6
104.06220	1.3
105.04498	1.0
105.07023	34.9
106.07352	1.2
107.04961	9.7
107.08591	44.5
108.05740	2.3
108.08929	1.6
109.06515	31.4
109.10149	19.1
110.07290	3.5
115.05421	2.1
117.07000	7.5
119.01907	3.3
119.08578	62.6
120.08924	3.4
121.06480	2.0
121.10132	13.3
122.07277	1.5
123.04453	5.7
123.08064	51.5
123.10814	1.8
123.11703	33.4
124.08395	2.8
129.07022	3.4
132.05699	4.3
133.06569	5.4
133.07399	1.1
136.08820	1.9
137.05983	6.7
137.09607	26.0
137.13251	7.3
138.10033	1.1
140.29492	1.0
142.03490	2.1
147.04355	2.0
147.08046	29.4
147.11688	13.3
148.08420	2.4
150.10388	1.1
159.37700	1.1
165.09128	18.9
165.12749	100.0
166.13107	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03936	1.3
55.01867	2.0
55.05507	4.8
57.03435	2.7
57.07075	3.1
59.04992	0.6
65.03934	1.0
66.09044	0.4
67.05502	12.9
69.03431	2.4
69.07059	5.8
70.85559	0.7
71.04978	0.7
71.08620	1.1
77.03925	0.8
79.05490	11.4
81.03414	1.0
81.07055	22.9
83.04969	3.4
83.08606	2.7
85.06514	0.5
91.05474	10.7
93.07041	13.5
94.04188	1.1
95.04971	6.6
95.08601	16.4
97.06550	1.2
101.00874	1.6
103.05471	3.1
103.87995	0.4
104.06284	0.4
105.04503	0.7
105.07027	26.5
106.07281	0.6
106.07883	0.7
107.04929	2.2
107.08585	12.3
108.05783	0.5
109.02893	2.9
109.06511	23.5
109.10149	18.2
110.07340	0.8
110.10523	0.6
117.07036	1.9
119.01916	4.8
119.04957	0.8
119.08575	21.1
121.06502	1.5
121.10140	26.7
122.03638	1.0
122.07273	9.2
122.10440	0.8
123.08078	11.3
123.11690	7.2
124.05208	9.3
133.06488	8.1
135.08049	2.9
136.08873	0.5
137.03004	1.2
137.05983	14.3
137.09608	100.0
137.13252	2.0
138.09967	3.9
142.03517	3.1
147.04382	2.3
147.08051	1.1
147.11681	8.1
150.10399	7.4
160.04596	0.5
165.05475	0.9
165.07056	0.5
165.09126	7.3
165.12750	41.8
166.13100	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0863
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
51.28992	0.1
53.03936	0.3
54.05122	0.1
68.37466	0.1
69.60764	0.7
77.03909	0.2
79.05490	2.3
89.72762	0.1
91.05463	1.0
93.07038	2.7
95.04971	0.3
98.22575	0.2
102.00974	0.2
103.00639	0.2
103.05465	12.6
104.05808	0.4
107.04955	3.3
108.05303	0.2
109.37492	0.1
110.98436	0.1
119.01914	0.4
120.02005	0.6
120.08101	100.0
121.01653	0.4
121.06508	0.5
121.08443	4.1
131.04922	2.2
135.04408	0.4
138.03101	0.2
142.03534	0.2
143.03613	0.4
144.03247	0.3
149.06030	0.8
166.08583	1.0
167.07018	0.3
176.22269	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.4
53.03951	1.9
53.82545	0.2
54.54364	0.2
55.01871	4.7
55.05513	1.7
55.09158	0.2
57.03425	0.7
57.07067	0.4
59.04996	0.6
63.47823	0.2
65.03940	5.0
66.04723	0.7
67.01862	1.3
67.05508	8.3
68.05848	0.3
68.99795	3.2
69.03428	1.5
69.07066	1.1
71.01358	1.2
71.04997	0.8
71.31030	0.4
72.37656	0.2
73.99765	0.2
77.03928	0.5
78.04263	0.5
78.04713	7.6
79.01881	0.3
79.05496	9.9
80.05869	0.3
81.03414	1.0
81.07066	3.5
82.04185	0.2
83.04987	3.2
83.08621	0.5
85.02904	0.2
85.06532	0.4
87.04482	0.2
91.05477	3.2
91.06014	0.4
93.03406	6.6
93.07048	8.0
94.04192	0.7
95.04974	5.3
95.08601	1.6
96.02131	0.3
96.05760	0.6
97.02881	1.1
97.06536	1.3
97.10155	0.3
103.00628	0.5
103.05489	0.4
105.03397	0.5
105.04523	0.7
105.07031	4.7
106.04172	3.3
107.01304	0.6
107.04969	3.7
107.08595	9.2
108.08927	0.4
109.02895	1.4
109.06561	1.7
109.10126	0.3
111.03672	0.5
111.04449	6.4
111.08113	1.1
115.03928	0.3
119.08569	0.5
121.01652	2.4
121.02915	1.8
121.06521	1.7
121.07298	0.3
121.10146	13.2
122.03644	0.6
122.10448	0.5
123.04436	14.7
123.08060	1.2
123.11707	0.8
124.05221	4.7
125.06047	1.2
125.09630	1.6
131.08559	1.0
134.03625	0.9
135.04436	1.0
137.02330	0.2
137.05959	0.9
137.09625	0.3
138.03104	0.4
139.03902	100.0
139.11179	1.3
140.04263	3.3
144.03247	1.2
149.02342	1.4
149.06000	0.6
149.09642	2.4
149.13313	0.3
151.03911	2.6
152.04707	3.1
152.06007	0.3
157.04939	1.7
162.04311	0.4
165.07088	0.4
167.03394	5.3
167.07043	49.4
167.08354	1.9
167.10703	2.6
168.04082	0.3
168.07402	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0699
Annotation	MTHPA
Peak:m/z	Relative Intensity
50.01588	0.4
51.02382	0.4
51.86050	0.3
53.00320	0.5
53.03949	4.2
55.01870	0.8
55.05509	1.3
61.24073	0.3
65.03900	0.3
67.01865	28.9
67.05495	1.0
68.02229	0.7
77.03928	1.3
78.04723	0.3
79.05512	0.4
81.03416	1.1
83.01375	0.7
83.04992	0.8
85.02903	4.6
85.82951	0.3
91.05479	14.5
92.05833	0.4
93.07043	61.6
94.07360	2.3
95.01328	1.6
95.04971	5.8
97.06522	0.4
103.00661	0.4
103.05441	0.5
105.04539	2.5
111.08078	4.5
121.01675	0.9
121.06508	16.5
122.06833	0.6
124.05225	1.7
125.08236	0.7
139.07539	21.1
140.07895	1.1
144.03145	0.4
149.05978	28.9
150.06265	1.5
154.60750	0.3
167.07036	100.0
168.07385	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0695
Annotation	MTHPA
Peak:m/z	Relative Intensity
53.03948	4.5
55.05494	0.8
57.71378	0.7
57.86929	0.8
63.19804	0.8
67.01867	26.6
67.05506	1.5
68.02195	0.9
68.50293	0.7
71.29951	0.9
76.49255	0.7
77.03897	0.7
78.04697	0.9
79.05463	1.4
81.03429	1.1
83.04989	1.6
85.02921	4.4
91.04958	1.3
91.05480	14.0
93.07045	57.0
94.07377	1.9
95.01308	2.3
95.04961	5.6
97.06525	0.7
103.00652	1.0
103.05523	1.0
103.49268	0.8
105.04501	2.2
107.08588	1.0
111.08065	4.4
115.96848	0.8
121.01665	4.3
121.06511	16.0
124.05172	2.2
125.08250	5.4
139.02670	1.1
139.07549	19.4
140.07883	1.1
144.03227	1.7
146.00786	0.8
149.05986	28.9
150.06357	1.1
167.07042	100.0
167.74725	0.8
168.07431	3.8
181.52344	0.9
182.45488	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0697
Annotation	MTHPA
Peak:m/z	Relative Intensity
53.03943	4.5
55.01872	1.4
55.05511	1.4
58.50988	0.7
64.22851	0.8
67.01865	26.5
67.05481	1.6
68.02215	0.8
77.03923	1.3
79.05467	1.3
83.01323	1.1
83.04973	1.1
85.02905	6.2
87.84956	0.8
91.05487	13.2
93.07043	62.1
94.07367	1.9
95.01295	1.9
95.04977	4.5
98.22988	7.3
105.04497	1.7
111.08086	4.9
121.01660	2.4
121.06514	15.5
124.05210	2.2
125.08248	10.9
139.02695	1.2
139.07532	22.6
140.07910	1.1
144.03220	2.3
149.05983	27.6
150.06326	1.6
167.07039	100.0
168.07376	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02363	0.5
51.83273	0.4
53.03951	2.0
55.01865	0.6
55.05519	2.1
59.04990	0.7
64.03191	0.4
65.03925	1.6
66.04710	1.4
67.05509	2.6
68.99788	0.5
69.03429	1.4
69.07062	2.1
69.25058	1.3
69.25468	1.2
71.05006	0.7
77.03928	0.9
78.04713	19.1
79.05083	0.7
79.05492	9.8
81.03406	1.1
81.07050	3.8
82.03360	0.4
83.04973	1.8
85.02901	0.9
91.05479	4.3
93.07049	7.8
94.04179	1.1
95.04981	4.3
95.08591	1.6
96.05759	0.7
97.06519	1.5
98.22681	0.6
103.05479	0.6
105.03381	1.4
105.04527	1.0
105.07043	3.2
106.04169	7.8
107.04988	2.7
107.08588	12.8
109.02855	1.8
109.06516	3.0
109.10136	1.0
111.04430	0.9
111.08076	1.8
119.06076	0.5
119.08540	0.6
120.02107	0.6
121.01660	0.6
121.02882	0.7
121.06515	2.4
121.10139	10.3
122.03642	2.4
123.04430	31.2
123.08080	1.4
124.05257	7.6
125.05979	1.0
125.09641	3.6
131.08568	0.8
134.03610	1.3
135.04358	1.1
137.02324	1.1
137.05975	1.3
139.03864	1.1
139.07532	0.6
139.11189	1.0
149.02341	0.7
149.05000	0.6
149.09616	3.3
149.13289	0.6
151.03894	6.0
152.04677	6.4
167.07036	100.0
167.10677	3.6
168.07349	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	MTHPA
Peak:m/z	Relative Intensity
54.31062	3.7
55.01856	5.3
55.05496	14.4
65.03934	3.9
67.05489	12.6
69.03419	8.0
69.07064	13.0
69.44138	22.3
78.04689	6.7
79.05492	59.7
81.07067	21.1
83.04952	14.9
91.05487	28.6
93.07051	56.9
95.04972	10.5
95.08612	45.1
97.06521	11.0
97.10147	6.1
100.17675	3.7
103.05479	4.9
105.07023	34.3
107.04948	50.4
107.08594	100.0
109.06503	20.8
111.08085	5.6
119.08573	5.8
121.01697	9.8
121.06499	21.6
121.10147	95.1
123.04415	15.8
123.08076	34.6
123.11718	5.7
124.05200	5.3
125.09637	33.8
131.08577	7.2
139.11200	11.5
149.02313	6.4
149.09651	26.3
167.07051	51.8
167.08368	6.2
167.10652	30.1
185.94894	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	MTHPA
Peak:m/z	Relative Intensity
51.02386	0.4
53.03947	3.1
55.01877	2.2
55.05508	0.3
56.86593	0.2
60.87664	0.2
65.03927	0.8
67.05496	0.9
68.99775	0.7
69.03414	0.5
70.47762	0.6
73.02912	0.8
77.03929	0.9
78.04695	1.2
79.05494	15.9
80.05835	0.6
81.03418	0.3
81.07062	4.0
91.05482	15.5
92.05810	0.5
93.07046	20.8
94.07376	0.9
95.01313	0.4
95.04971	4.4
95.08601	0.5
97.06514	0.9
103.05459	1.7
105.04536	1.7
105.07025	0.3
106.04195	0.5
107.01313	0.5
107.04961	2.1
107.08592	0.6
111.04446	0.6
121.02870	10.4
121.03851	0.4
121.06506	15.1
121.10125	0.5
122.03188	0.7
122.06789	0.5
123.04434	2.6
123.08083	0.4
124.05164	0.4
125.05976	0.3
139.03867	0.5
139.07538	0.7
145.60606	0.3
149.02354	0.7
149.05971	9.4
149.09698	0.3
151.03905	0.5
152.04684	0.3
162.96315	0.2
167.07039	100.0
168.07385	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	Apocynin
Peak:m/z	Relative Intensity
50.87081	0.3
51.02370	0.4
52.03157	0.4
53.03952	1.8
53.04163	0.4
55.01860	0.6
55.05505	0.9
56.08214	0.3
65.03931	0.9
66.04710	0.8
66.92743	0.3
67.05508	1.0
69.03432	0.8
69.07073	0.5
70.34637	0.7
77.03931	0.7
78.04720	17.4
79.05064	0.5
79.05494	4.7
80.84547	0.3
81.03410	0.8
81.07056	1.2
82.59811	0.3
83.04993	1.4
84.03734	0.3
91.05479	1.4
92.02634	0.3
93.03415	0.9
93.07040	1.9
94.04197	1.0
95.04980	3.5
95.08619	0.5
96.05769	1.6
97.06527	0.4
103.00642	0.5
105.03426	1.6
105.04502	0.8
105.07032	0.7
106.04185	6.9
107.04985	3.1
107.08603	2.1
109.02907	2.0
109.06512	0.8
111.04463	0.5
111.08068	0.6
120.02051	0.5
121.01668	1.9
121.02877	0.4
121.06517	1.8
121.08443	0.5
121.10131	1.6
122.03677	1.7
123.04443	29.9
123.08076	0.4
124.05259	8.3
125.05968	0.3
125.09624	0.6
126.06687	0.3
129.21942	0.3
131.08673	0.3
134.03625	1.5
135.04445	1.8
137.02318	0.6
137.05983	1.3
138.03116	0.4
139.02766	0.4
139.03923	0.4
139.07556	0.6
144.03270	1.1
149.02374	0.7
149.05989	0.7
149.09602	0.5
150.03149	0.5
151.03923	6.5
152.04713	5.9
162.46507	0.4
165.05508	0.4
167.07051	100.0
168.04150	0.6
168.07396	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	MTHPA
Peak:m/z	Relative Intensity
51.02375	0.4
53.03947	3.1
53.07145	0.2
55.01873	2.1
55.05521	0.4
57.03439	0.3
65.03926	0.6
67.05506	1.1
68.99785	0.7
69.03421	1.1
69.07061	0.3
70.65462	0.4
73.02892	0.2
75.33279	0.1
77.03917	1.1
78.04710	0.5
79.05493	16.9
80.05801	0.4
81.03414	0.6
81.07056	4.1
83.04977	0.6
91.05481	16.1
92.05803	0.6
93.07043	21.4
94.07405	0.8
95.01344	0.3
95.04356	0.3
95.04967	4.6
95.08589	0.5
96.24237	0.2
97.02886	0.2
97.06525	1.0
103.00581	0.2
103.05469	1.6
105.04510	2.3
105.07028	0.8
106.04152	0.2
107.01314	0.4
107.04951	2.1
107.08595	2.4
109.06536	0.6
111.04451	0.4
111.08092	0.2
117.99062	0.2
121.01582	0.4
121.02884	2.4
121.06505	15.9
121.10145	2.0
122.06848	0.5
123.04446	1.9
123.08073	1.2
125.06023	0.3
125.09618	0.7
127.19706	0.2
139.03897	0.4
139.07516	1.0
139.09520	0.2
139.11166	0.4
140.82094	0.2
144.03246	0.3
149.05977	7.9
149.09612	0.5
150.06360	0.2
167.07036	100.0
168.07384	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
50.01592	0.3
51.02375	0.5
52.03161	0.5
53.03947	1.6
55.01871	0.8
55.05503	1.0
57.03450	0.3
57.07072	0.3
65.03938	1.1
66.04719	1.3
67.05496	2.0
67.32991	0.3
68.99799	0.5
69.03434	0.7
69.07053	0.9
71.04989	0.4
71.15054	0.4
71.15411	0.3
72.11930	0.3
77.03947	0.7
78.04715	19.0
79.05074	0.7
79.05495	8.3
81.03410	1.0
81.07067	2.2
82.04164	0.5
83.04967	1.1
85.02901	0.5
91.05475	2.3
93.03388	1.0
93.07046	6.7
94.04162	1.0
95.04972	3.1
95.08601	1.7
96.05746	1.3
97.06548	0.8
103.00631	0.6
105.03391	1.7
105.04515	1.1
105.07036	1.2
106.04182	7.1
107.04985	3.9
107.08606	3.9
109.02876	1.7
109.06516	1.3
109.10146	0.5
111.04448	1.2
111.08068	1.1
120.02098	0.4
121.01672	2.6
121.02499	0.3
121.02915	0.5
121.06493	1.3
121.10142	7.5
122.03652	1.9
122.10458	0.4
123.04431	32.0
123.08042	0.6
123.49415	0.3
124.05241	8.8
125.05975	0.9
131.08565	0.9
132.73582	0.3
134.03642	1.6
135.04402	2.0
137.02367	0.3
137.05984	1.2
138.03079	0.7
139.02789	0.4
139.03883	3.5
139.07553	0.6
139.11194	0.6
144.03264	1.5
149.02333	0.6
149.05962	0.7
149.07109	0.3
149.09641	2.3
150.03065	0.7
151.03912	6.4
152.04698	5.5
153.05037	0.4
157.04915	0.5
167.07037	100.0
168.04237	0.7
168.07390	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02369	0.4
52.03160	0.3
53.03942	1.2
55.01877	0.3
65.03934	0.7
66.04715	1.0
67.05499	0.8
68.02632	0.4
69.07060	0.3
77.03951	0.5
78.04711	17.6
79.05042	0.6
79.05489	3.9
79.70133	0.3
81.03415	1.2
81.07074	1.2
82.04195	0.3
83.04954	0.4
85.02888	0.3
88.59954	0.2
91.05454	0.6
92.02621	0.2
93.03397	0.8
93.07052	1.1
94.04186	1.1
95.04980	2.6
96.05737	1.1
103.00639	0.4
105.03381	1.4
105.04529	0.5
106.03444	0.4
106.04169	7.7
107.04996	2.0
107.08601	1.0
109.02892	1.7
109.06551	0.5
109.10165	0.4
110.03648	0.3
111.04453	0.3
111.08077	0.5
120.02090	0.4
121.01679	0.9
121.02859	0.6
121.06516	0.8
121.10129	1.2
122.03654	1.7
123.04426	30.0
124.05255	7.8
134.03630	1.8
135.04393	1.0
137.02335	0.4
137.05981	1.3
138.03111	0.4
144.03226	0.6
149.02382	0.4
149.09560	0.3
150.03120	0.5
151.03897	6.4
152.04683	5.9
167.07034	100.0
168.04166	0.5
168.07385	4.2
170.41341	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03940	3.0
54.94252	0.8
55.01862	3.8
55.05510	3.7
57.03431	1.2
59.04994	3.9
65.03936	1.4
67.05508	5.7
69.00691	1.6
69.01097	6.7
69.03439	5.3
69.07059	3.8
70.98019	0.9
71.04980	2.9
72.34229	0.9
73.02914	1.2
75.56373	1.0
78.04707	7.8
79.05497	22.9
80.05811	1.6
81.07066	8.8
83.04993	5.9
85.02881	2.2
91.05478	14.5
93.03397	0.9
93.07050	23.7
94.07372	0.9
95.04976	3.8
95.08626	4.1
97.06538	8.9
103.05468	2.9
105.07030	24.1
106.04157	3.6
106.07829	1.5
107.04957	3.1
107.08599	66.1
108.08897	1.9
109.02863	0.9
109.06491	6.1
111.04449	2.1
113.06013	1.4
119.04900	1.0
119.06052	1.3
119.08566	4.0
121.02885	13.4
121.06567	4.1
121.10148	100.0
122.10492	2.9
123.04443	11.8
123.08078	9.9
123.11724	1.9
124.05212	2.5
124.08420	1.0
125.06010	3.7
125.09632	65.9
126.09977	2.7
131.08643	1.5
133.07626	2.5
139.09517	1.0
139.11188	6.0
149.05989	3.2
149.09621	10.2
151.03889	2.8
152.04718	2.2
167.07045	48.1
167.10675	17.0
168.07378	1.4
169.34076	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(S)-(-)-Perillic acid
Peak:m/z	Relative Intensity
53.03945	6.2
55.01872	5.0
55.05515	14.0
57.03426	3.4
57.07065	3.9
59.04993	4.2
65.03950	7.3
66.04720	1.7
67.05508	38.0
69.03420	5.7
69.07067	18.5
69.47716	4.2
69.48122	1.9
71.04980	4.0
77.03925	1.8
78.04710	12.9
79.05495	64.2
80.05864	1.6
81.03416	3.4
81.07059	36.7
83.04984	18.8
83.08605	2.5
85.02916	1.3
87.04474	2.4
91.05475	20.1
92.05807	1.6
93.03416	6.1
93.07044	93.0
94.07381	3.2
95.04969	7.8
95.08611	21.3
97.06538	12.6
103.00651	1.2
103.05483	2.2
105.04519	2.8
105.07033	25.9
106.04165	3.8
106.07831	1.6
107.04949	13.5
107.08598	41.6
109.02892	1.6
109.06519	12.5
109.10153	3.6
111.04442	26.8
111.08105	6.4
111.10833	1.3
111.11695	1.2
119.08550	5.4
121.01685	1.9
121.06536	8.1
121.10141	100.0
122.10487	5.6
123.04433	20.4
123.08051	9.6
123.11689	3.5
124.05254	6.5
125.06002	16.5
125.08814	1.1
125.09592	5.8
131.08566	5.5
133.07622	2.9
134.07304	1.4
135.04424	1.5
137.05986	1.7
137.09622	1.7
139.07526	1.3
139.11165	8.2
144.03322	2.2
149.05981	3.9
149.09622	34.9
149.13277	1.3
150.09050	6.2
151.03934	2.7
152.04692	4.1
152.05931	1.1
152.08340	4.4
153.05466	1.4
167.07048	59.1
167.08360	2.9
167.10684	54.4
167.14291	2.1
168.07492	1.4
168.11107	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03938	3.3
55.01868	2.2
55.05515	14.6
57.03431	1.9
57.07073	9.2
59.05000	3.9
64.71684	1.0
65.03939	10.0
67.05506	65.2
68.05830	1.2
69.03426	3.1
69.07063	15.7
69.09473	9.3
71.04994	11.5
72.97115	1.1
73.06556	5.9
75.13787	1.0
78.04707	4.3
79.05494	70.0
80.05850	1.4
80.46455	1.0
81.07054	50.2
83.04982	19.7
83.08612	2.4
84.05357	1.4
85.06555	1.2
91.05482	16.5
93.03410	10.3
93.07043	98.8
93.17526	1.1
94.07377	3.2
95.04973	6.3
95.08605	47.6
97.06548	14.1
103.05482	1.7
105.04479	1.4
105.07034	19.7
106.04240	1.4
107.04947	8.9
107.08595	35.2
109.06556	2.4
109.10175	7.2
111.04445	47.9
111.08057	3.4
119.08611	3.5
121.01637	1.5
121.06467	1.1
121.10143	100.0
122.10452	3.0
123.04447	8.5
123.08105	2.6
123.11702	4.4
124.05208	4.3
125.05989	18.8
125.09655	2.2
131.08542	3.4
133.07640	2.0
134.07260	1.3
138.05516	1.4
139.11188	5.4
149.09615	41.2
149.13232	8.1
152.04709	2.0
152.08353	3.0
167.07047	23.0
167.10681	85.7
167.14349	4.3
168.11050	3.6
173.93327	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.91432	0.9
53.03941	5.5
55.01861	3.0
55.05514	5.9
57.03423	2.5
57.07072	9.2
59.05005	2.3
65.03938	8.6
67.05505	50.8
69.03413	1.1
69.07063	7.0
69.22120	3.5
69.22523	3.1
71.05000	1.0
73.02923	1.7
73.14987	0.9
78.04701	3.7
79.05492	64.1
80.05809	1.6
81.03429	1.6
81.06581	1.9
81.07056	34.0
83.04552	1.4
83.04988	18.2
91.05483	18.0
93.03406	11.8
93.07042	88.8
94.07352	3.2
95.04949	2.8
95.08607	9.2
97.06535	10.1
103.05408	1.3
105.04575	1.0
105.07030	19.9
106.04167	1.3
106.07759	1.2
107.04967	7.9
107.08593	61.9
108.08906	1.8
109.06474	1.7
111.04438	38.2
111.05203	2.0
111.08103	2.6
112.04790	1.3
119.08595	2.7
121.01675	2.2
121.06528	1.3
121.10140	100.0
122.10473	4.3
123.04443	8.2
123.08080	3.4
123.11671	1.3
124.05187	3.6
125.05994	22.8
125.09604	1.3
131.08580	2.8
133.07613	2.5
135.74867	1.0
139.11157	4.2
142.66469	1.0
149.09618	48.3
150.10002	1.6
151.03868	1.2
152.08293	2.8
167.07042	21.2
167.10675	87.5
168.11037	3.3
187.57155	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02375	0.7
53.03946	4.4
55.01860	1.6
55.05510	9.1
57.03429	3.0
57.07077	3.8
59.05000	2.9
65.03940	4.4
66.04712	0.7
67.05505	29.8
68.05839	1.0
69.03422	2.1
69.07067	6.2
71.04983	2.0
71.30058	1.0
73.02895	1.2
75.04472	2.3
77.03915	1.2
78.04713	8.7
79.05493	39.4
80.05845	1.2
81.03433	1.3
81.07054	25.6
82.07366	1.1
83.04986	10.7
83.08606	3.0
85.06542	1.4
87.04458	1.8
91.05477	15.1
93.03407	5.4
93.07040	100.0
94.07364	2.4
95.04972	6.5
95.08047	1.0
95.08605	11.7
97.06525	9.4
103.00639	0.7
103.05464	2.2
104.98029	0.5
105.03411	1.4
105.04499	1.7
105.07026	17.4
106.04169	4.3
106.07840	1.1
107.04961	7.7
107.08592	21.1
109.02847	1.2
109.06499	3.2
109.10142	1.6
111.04440	22.6
111.08078	18.1
112.04758	0.7
114.41466	0.6
119.08580	4.1
121.01673	2.3
121.06502	2.6
121.10139	98.8
122.03624	1.0
122.10490	4.8
123.04431	18.3
123.08092	3.2
123.11730	3.9
124.05249	4.7
125.06004	11.6
125.09629	1.7
131.08559	2.4
133.07597	2.1
135.04384	0.7
139.02690	0.6
139.07550	1.0
139.11185	7.8
144.03210	1.2
149.09619	20.2
149.13298	1.0
150.09929	1.0
151.03911	3.1
152.04692	3.8
152.06013	0.7
152.08316	0.8
155.05978	0.9
162.04370	0.6
167.07045	52.6
167.08337	2.0
167.10672	32.6
167.14265	1.0
168.04312	0.6
168.05760	0.6
168.07384	2.0
168.11055	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03948	3.4
55.01862	1.1
55.05523	3.6
57.03450	2.6
57.07087	1.0
59.05000	1.5
65.03938	1.5
67.05501	6.0
69.03425	1.4
69.07070	1.9
71.04994	0.8
71.44952	0.6
73.02950	0.6
75.04478	3.8
77.03928	1.5
78.04713	1.6
79.05492	19.5
80.05827	0.8
81.03415	0.7
81.07053	15.3
83.04974	1.8
83.08595	0.9
87.04471	1.5
91.05477	15.7
92.05814	0.5
93.03417	0.8
93.07041	100.0
94.07346	3.0
95.04958	4.1
95.08596	8.5
97.02911	0.5
97.06531	4.1
103.05476	1.3
105.04514	1.3
105.07030	18.4
106.04141	0.7
106.07870	0.9
107.04964	2.0
107.08590	13.7
107.49867	0.5
109.06518	1.6
109.10130	1.0
111.04427	3.2
111.08080	22.4
119.08576	3.4
121.01685	0.5
121.10138	99.6
122.10455	4.0
123.04410	2.6
123.08059	4.0
123.11696	2.1
124.05195	0.6
125.05995	3.4
125.09608	0.9
131.08562	1.4
133.07642	3.0
139.11189	6.0
149.08482	1.0
149.09615	9.7
149.13266	0.9
167.03262	0.5
167.07060	9.7
167.08505	0.8
167.10663	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03939	4.6
55.01860	2.3
55.05515	10.1
57.03432	1.5
57.07064	3.5
59.04993	2.0
60.28434	1.2
65.03941	6.2
67.05502	34.2
68.05827	1.3
69.03418	2.8
69.07060	7.9
71.05008	1.8
71.30134	1.8
77.03932	1.3
78.04697	2.3
78.46863	0.9
79.05492	47.3
80.05792	1.0
81.03391	0.9
81.07057	33.0
82.07392	1.3
83.04976	12.9
83.08609	3.4
91.05479	18.6
93.03399	6.0
93.07042	100.0
94.07379	2.7
95.04977	4.9
95.08606	14.5
97.06531	9.5
103.05474	1.1
105.04534	1.4
105.07029	16.0
106.07843	1.3
107.04965	6.3
107.08591	27.5
109.06496	4.7
109.10213	1.5
111.04440	24.1
111.08086	6.4
112.04829	1.0
119.08568	2.5
121.06513	1.9
121.10139	99.7
122.10463	4.6
123.04465	4.5
123.08091	5.7
123.11724	4.5
124.05243	1.3
124.12073	1.4
125.05993	16.5
125.09657	1.8
131.08546	3.8
133.07616	1.6
139.11166	7.2
149.09613	26.3
150.09917	1.1
152.04742	0.9
152.06190	1.1
152.08354	1.6
167.07062	10.6
167.10677	43.0
168.11017	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(S)-(-)-Perillic acid
Peak:m/z	Relative Intensity
50.36872	1.0
50.95113	1.1
53.03941	5.2
55.01876	1.3
55.05504	5.8
57.03415	1.4
57.07069	5.0
59.05000	2.6
65.03941	7.3
67.05504	42.5
68.05850	1.6
69.03426	1.9
69.07066	16.4
69.35317	6.5
73.02941	1.4
78.04709	2.4
79.05490	59.7
80.05814	1.3
81.07055	36.7
83.04970	12.0
87.04478	1.3
91.05481	17.1
93.03416	7.9
93.07040	89.9
94.07397	2.3
95.04962	3.6
95.08603	17.1
97.06519	11.8
98.22693	2.4
103.05449	1.4
105.04496	1.9
105.07026	18.8
106.04153	1.5
107.04967	7.1
107.08588	21.8
109.06521	3.7
111.04438	31.1
111.08085	1.6
111.11727	1.9
119.08581	3.8
121.06498	3.6
121.10140	100.0
122.10489	3.1
123.04449	6.3
123.08036	4.2
123.11720	1.8
124.05217	1.7
125.05992	17.5
125.09560	2.3
131.08557	3.1
133.07605	3.3
134.07211	1.5
139.03880	1.5
139.11197	5.7
149.09612	34.3
150.09949	2.1
152.08321	2.7
167.03418	1.3
167.07022	14.5
167.10672	61.4
168.07234	1.6
168.11020	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03949	4.1
55.05512	24.3
57.07078	3.6
59.04996	7.1
60.19902	1.8
65.03961	2.1
67.05504	44.5
69.03448	5.1
69.07071	28.7
70.19318	7.3
71.04998	43.0
73.06567	17.2
78.04703	6.1
79.05492	22.5
81.07057	47.1
83.04998	5.1
83.08595	11.1
85.06551	6.5
91.05478	10.7
93.07043	49.9
94.07342	3.3
95.04971	4.9
95.08609	100.0
96.08919	5.2
97.06528	7.6
97.10207	2.3
97.79212	1.9
97.79971	2.5
105.07031	10.1
107.04959	4.4
107.08604	60.0
109.06523	4.3
109.10161	29.7
111.08088	9.7
121.01670	13.0
121.06584	2.7
121.10143	36.5
123.04465	7.6
123.08054	2.6
123.11718	8.6
124.05238	2.1
125.05941	2.2
125.09591	3.5
139.03827	2.3
144.03256	8.9
149.09660	2.4
149.13280	25.1
151.03929	3.3
167.07042	33.8
167.08380	3.8
167.10770	4.6
167.14311	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
50.00296	0.9
53.00292	1.1
53.03935	4.1
55.01871	16.1
55.04917	0.9
55.05510	24.9
57.03429	1.9
57.07077	6.5
59.05003	6.9
65.03921	1.1
66.04729	1.8
67.05502	19.1
69.03435	9.4
69.07068	50.8
69.12972	4.6
69.13395	3.6
70.06590	1.9
70.07413	1.0
71.04989	8.8
77.03894	1.6
78.04710	8.5
79.05492	28.2
81.07056	54.4
82.07388	1.6
83.04982	8.0
83.08626	16.9
84.08174	1.3
84.96030	1.2
85.06531	1.8
86.09710	6.5
91.05476	13.9
91.50166	1.0
93.07040	63.2
94.07338	2.4
95.04967	4.9
95.08607	18.5
96.05759	1.2
97.06532	46.4
97.10160	12.3
98.06836	1.6
99.08099	1.1
100.07631	2.5
103.00623	2.0
105.04540	1.0
105.07028	8.6
106.04176	3.1
107.04973	3.3
107.08592	100.0
108.08894	5.7
109.06516	22.6
109.10155	22.5
111.04528	2.0
111.08080	63.6
112.07562	3.3
112.08358	2.1
113.80890	1.0
119.08614	1.3
121.01666	8.8
121.06490	1.7
121.07639	0.9
121.10138	36.9
122.10484	1.1
123.04422	14.6
123.08062	3.3
123.11706	34.9
124.05259	5.0
124.12000	1.3
125.09628	7.4
127.07533	4.7
131.08543	4.2
139.02696	2.9
139.07509	2.3
144.03230	5.9
149.02385	1.3
149.09621	36.7
149.13274	16.3
149.14447	1.5
150.09921	2.7
151.03922	2.6
152.04662	2.7
162.04280	1.5
167.07045	51.3
167.08354	2.6
167.10704	18.9
167.14311	56.3
168.07423	2.0
168.13678	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
50.74306	1.2
53.00302	1.6
53.03938	3.7
55.05512	21.4
57.03437	3.1
57.07069	5.6
59.04995	4.4
65.03933	1.8
67.01865	1.7
67.05509	34.8
69.03423	4.5
69.07072	27.7
69.09707	5.8
69.10126	5.3
71.04993	35.2
71.08595	1.4
73.06554	14.1
76.30249	1.1
78.04705	2.0
79.05064	1.8
79.05491	22.4
81.07059	51.3
83.04977	4.4
83.08175	2.2
83.08610	12.2
84.96018	2.4
85.06540	4.2
87.08097	2.1
91.05476	12.0
93.06471	2.6
93.07046	45.8
94.07342	2.0
94.95546	1.5
95.04971	3.3
95.08607	100.0
96.08939	5.9
97.06535	7.3
97.10155	1.6
100.02692	1.2
103.00644	4.6
105.07024	7.4
107.04974	2.7
107.08591	53.1
108.08925	2.7
109.06504	3.5
109.09452	2.0
109.10156	27.2
109.10809	0.9
110.72021	1.2
111.08073	8.2
112.18963	1.2
121.01676	13.3
121.06515	3.5
121.10139	25.7
121.75276	1.3
122.10452	2.7
123.04441	4.5
123.11731	8.4
125.09617	4.7
126.02159	1.6
137.38184	1.2
139.02670	3.3
139.07590	1.6
144.03258	7.4
149.02386	1.5
149.09573	2.9
149.13263	30.1
150.13579	1.5
162.04298	3.0
167.07063	22.6
167.08510	4.0
167.10783	3.2
167.14314	10.4
167.20702	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.2
53.03939	3.5
55.01864	2.1
55.05513	22.8
56.05819	1.1
57.03428	3.4
57.07079	6.2
59.05004	6.0
65.03928	1.7
67.05505	35.6
69.03424	3.5
69.06731	1.6
69.07072	24.6
69.19802	2.7
69.20202	8.5
71.04993	38.6
73.06550	18.7
78.04704	5.5
79.05498	25.1
80.05829	1.6
80.48484	1.3
81.03393	1.4
81.07059	45.9
83.04983	3.7
83.08617	10.3
84.96027	1.4
85.06544	3.9
87.08105	1.8
91.05483	9.7
93.07043	51.3
95.04944	4.4
95.08605	100.0
96.08929	2.7
97.06534	9.6
97.10162	2.1
103.00633	2.6
105.07027	9.0
105.08897	1.1
106.04184	2.3
107.04951	2.5
107.08594	61.4
108.08905	2.4
109.06498	4.1
109.10151	26.9
110.10455	1.9
111.08095	6.6
121.01664	5.6
121.06526	2.4
121.09298	2.2
121.10141	34.0
122.10483	2.3
123.04456	10.8
123.11701	10.3
124.05190	3.5
125.06016	1.9
125.09626	5.5
131.08592	3.2
139.02739	2.1
139.07484	1.8
144.03268	3.4
149.09625	5.8
149.13252	26.0
150.13594	1.5
151.03880	1.8
152.04672	2.7
160.90216	1.2
167.07039	37.0
167.08313	2.2
167.10699	6.1
167.14323	13.9
168.14615	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0656
Annotation	Myrothenone A
Peak:m/z	Relative Intensity
52.91520	0.3
53.03936	0.4
55.01879	0.7
55.05509	0.7
65.03939	6.5
67.05502	3.8
67.92528	0.4
69.03424	0.5
69.07066	100.0
70.06590	14.1
70.07388	2.4
70.53983	0.8
71.04995	0.4
72.93804	0.3
79.05492	1.1
81.03423	0.7
81.07073	0.6
82.94815	0.4
84.04539	0.3
85.94639	0.4
93.03397	2.8
94.06570	0.7
95.04962	7.7
95.08615	0.6
97.06525	5.4
98.06030	0.5
108.04459	0.3
109.02889	0.8
109.10170	0.4
110.03654	1.2
111.04445	7.7
111.57053	0.3
112.07602	17.3
113.07928	0.5
121.01563	0.3
122.06036	1.6
123.04427	3.7
123.08023	0.4
124.04756	0.4
125.05978	2.6
125.70483	0.3
126.05522	0.4
126.06631	0.6
140.07057	39.3
141.05476	2.2
141.07391	1.4
149.96098	0.4
149.97917	0.3
150.05508	0.7
151.03897	1.7
162.95801	0.5
163.97739	0.6
168.06445	6.4
168.11322	0.3
169.04979	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
51.92709	0.4
53.03955	0.5
55.01883	0.7
59.28836	0.5
65.03941	98.2
66.04286	2.6
67.05502	2.7
67.25876	0.4
69.23034	3.7
79.05480	1.0
81.03419	1.7
81.07067	0.5
81.22299	0.4
83.04980	1.0
85.02916	0.9
85.94621	0.6
93.03406	75.6
94.03730	1.7
95.04973	2.9
97.06522	1.1
99.72163	0.5
105.03357	0.8
107.04962	0.8
108.02114	1.1
109.02872	1.7
110.02892	0.8
110.03014	0.4
110.03659	17.8
111.04442	100.0
112.04803	2.9
123.04408	3.1
125.05991	35.3
126.06400	1.1
133.02869	3.7
134.06032	1.3
141.05472	1.2
151.03912	24.0
151.05002	2.3
152.04207	1.1
152.07051	0.9
153.72517	0.5
154.02632	0.6
163.97693	0.5
169.04961	8.7
170.08211	0.5
170.09685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
51.02379	0.7
51.10622	0.6
53.03947	1.1
55.01870	1.6
55.05508	2.1
55.87149	0.5
56.96563	0.6
58.40606	0.6
65.03941	84.4
66.04276	2.2
67.05506	6.0
68.99820	1.0
69.31558	3.3
77.03928	2.6
79.05495	1.0
81.03407	2.7
81.07059	2.1
83.04973	2.6
85.02912	2.1
85.94629	0.9
93.03407	53.8
94.03716	1.3
95.04970	13.7
97.06539	0.8
105.03396	6.4
105.04491	0.8
107.04974	0.9
108.02084	1.4
109.02897	2.7
109.06513	0.9
109.10124	0.9
110.03660	15.5
111.04444	100.0
112.04782	3.3
123.04430	23.2
123.08025	0.9
124.05150	0.5
124.07603	1.2
125.05995	28.3
126.03111	0.8
126.06354	0.8
133.02852	46.1
134.03171	2.7
134.05978	1.7
141.05461	2.2
141.06885	0.5
151.03915	27.9
151.05019	1.9
151.07446	0.6
152.04283	1.3
152.07036	1.5
163.97668	1.2
169.04956	10.0
169.07526	1.2
169.09731	0.7
170.08151	0.9
170.09636	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.086
Annotation	1,3,5-Trimethoxybenzene
Peak:m/z	Relative Intensity
53.03938	0.7
55.01860	0.6
63.67509	0.5
65.03946	2.0
67.05486	1.3
68.02663	0.6
71.31371	0.9
78.04708	2.0
79.05483	2.0
81.03416	0.7
81.07063	1.2
83.04971	2.7
93.03398	3.8
94.04189	1.5
95.04967	9.3
96.05768	4.2
96.45592	0.6
97.06525	1.3
99.51517	0.6
105.03420	0.7
107.01327	0.6
107.04978	0.9
107.32536	0.5
108.05749	2.2
109.02874	1.0
109.06519	8.0
111.04442	16.6
122.03656	2.7
123.04439	27.0
124.05228	7.5
125.05995	8.1
126.06793	5.9
137.05951	1.3
138.06761	100.0
139.03906	23.1
139.07597	10.2
140.04181	0.9
140.07832	0.9
154.06253	69.3
155.06660	2.5
169.08609	65.1
170.08955	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	Geranic acid
Peak:m/z	Relative Intensity
53.03944	1.5
55.05512	5.9
57.03442	20.1
57.07074	3.9
59.05000	1.8
65.03960	1.2
67.05178	1.2
67.05512	21.8
68.05846	0.7
69.03432	1.9
69.06721	1.4
69.07070	12.8
69.44379	4.4
71.04999	7.2
78.39097	0.9
79.05499	5.2
81.03411	1.2
81.07061	48.5
82.07385	1.1
83.04991	2.2
83.08604	1.2
85.06548	2.1
91.05515	3.7
93.07053	6.0
95.04966	3.4
95.08614	10.4
97.06534	9.1
99.04435	1.0
105.07027	5.9
107.08600	26.2
109.02879	2.5
109.06541	9.2
109.10161	100.0
110.10509	3.9
111.00795	1.4
111.08092	3.2
112.01568	0.8
113.06037	1.8
121.10129	1.1
123.08079	3.2
123.11713	58.3
124.12051	2.2
125.09624	4.6
126.03102	1.7
127.03926	4.1
127.07567	0.9
133.10123	5.8
139.11166	0.8
141.05487	4.1
151.07536	1.0
151.10068	1.5
151.11195	16.4
152.11617	0.8
155.03410	6.0
161.34964	0.7
169.04985	1.8
169.07545	1.0
169.10085	1.5
169.12273	7.9
170.05788	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	Geranic acid
Peak:m/z	Relative Intensity
55.01865	2.4
55.05512	6.8
57.03431	5.9
57.07077	4.1
58.31637	1.0
59.05002	8.4
59.70572	1.1
62.69220	1.0
65.03947	2.7
67.05503	22.4
67.05872	1.1
69.03440	2.8
69.07069	17.7
71.04990	16.8
71.10487	1.5
73.06547	7.0
78.49953	0.9
79.03727	1.0
79.05121	1.2
79.05489	6.3
81.07059	36.4
82.57830	1.1
83.05003	1.9
83.08627	3.8
85.02905	56.7
85.06561	1.6
91.05477	1.9
93.07054	7.1
95.04974	7.2
95.08616	7.2
97.06532	8.0
99.04476	3.8
105.07061	3.4
107.08601	12.5
109.06532	9.5
109.10155	100.0
110.10522	3.1
111.04474	1.5
111.08081	16.2
113.06035	5.5
121.10180	1.4
123.08087	6.9
123.11714	26.6
125.09602	5.9
133.10143	3.6
141.05478	1.5
141.06979	1.2
151.03928	1.3
151.11186	11.0
169.05026	1.8
169.06384	1.4
169.07640	1.7
169.10132	2.1
169.10846	1.3
169.12238	12.6
170.08026	1.5
170.09712	1.6
189.31261	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	Geranic acid
Peak:m/z	Relative Intensity
53.03931	0.4
55.00964	0.3
55.05512	1.5
57.07067	1.4
65.03939	1.6
67.05503	16.7
68.05849	0.5
69.03415	0.4
69.07067	23.4
69.13238	0.3
70.07399	0.5
71.04993	6.5
79.05483	1.3
81.07056	18.1
83.04978	0.3
85.06526	1.3
86.56753	0.3
87.04429	0.4
91.05464	0.7
93.03401	0.7
93.07051	1.1
95.04984	0.9
95.08601	3.8
101.06030	0.3
105.07027	1.6
107.08593	10.2
108.08936	0.7
109.02859	0.4
109.06503	0.9
109.10152	100.0
110.10484	4.3
111.04454	1.2
111.08060	0.4
113.06001	1.2
123.11702	30.9
124.12041	1.5
125.05992	0.4
127.11207	0.4
133.10127	3.4
141.07007	0.5
151.11176	4.2
152.07051	0.4
154.07779	0.4
169.04996	0.4
169.07655	0.5
169.10144	0.6
169.10861	0.4
169.12241	4.2
170.09607	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03943	4.1
55.01874	8.2
55.05505	9.7
57.03433	5.9
57.07075	14.4
59.05000	6.9
59.90162	1.3
65.03938	11.7
67.05506	48.4
69.03429	30.7
69.07068	23.3
70.06596	1.6
71.01359	1.2
71.04994	31.9
71.29430	2.0
79.05493	16.7
81.03420	4.1
81.07058	100.0
82.07379	3.0
83.04984	16.7
83.08614	6.2
85.02912	9.8
85.06544	57.5
86.78629	1.4
91.05465	12.7
93.03417	4.6
93.07038	16.8
95.04962	19.8
95.08043	2.5
95.08608	32.8
97.02939	1.6
97.06538	9.0
99.04471	6.7
99.08090	5.0
105.07038	16.5
107.08596	47.3
108.08871	1.9
109.02900	2.7
109.05771	2.4
109.06520	47.5
109.10158	92.7
110.03635	1.5
110.06846	2.3
110.10483	4.5
111.00809	1.5
111.04443	9.5
111.08086	10.7
113.06003	13.3
121.10127	12.5
122.10488	1.4
123.04424	5.1
123.08059	19.8
123.11708	63.4
124.12026	2.6
125.06007	4.6
125.09641	12.5
133.10130	10.3
137.02307	6.4
139.11177	9.5
141.05460	4.9
141.07021	4.9
151.03946	3.2
151.07524	1.7
151.11176	33.0
151.38139	1.4
154.07726	2.6
155.07321	2.4
168.12877	1.5
169.05034	6.6
169.06369	2.8
169.07608	3.6
169.09991	3.3
169.12238	46.2
170.09550	6.5
170.12646	3.3
188.98125	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
51.40909	1.4
53.03944	3.6
55.01866	2.6
55.05511	15.9
57.03426	6.9
57.07075	28.8
59.05000	8.8
65.03924	4.4
67.05504	53.8
69.03429	46.2
69.07064	24.4
70.31593	4.5
71.04993	40.2
73.06535	2.2
79.05495	18.2
81.03417	3.9
81.07054	99.9
82.07384	4.4
83.04982	20.9
83.08610	4.6
85.02903	6.2
85.06542	100.0
86.06863	3.6
91.05467	7.0
93.05782	1.5
93.07037	17.0
95.04951	19.0
95.08599	27.8
97.06536	10.7
99.04449	6.7
99.08080	4.1
99.69479	1.6
105.07027	13.4
107.08590	22.3
109.06519	31.9
109.10154	81.0
110.06783	1.7
110.10484	3.7
111.04488	1.9
111.08064	18.1
113.06013	14.8
120.13946	1.6
121.09314	1.7
121.10141	25.3
122.10457	1.6
123.08067	16.7
123.11704	99.0
124.12021	3.0
125.09653	4.0
126.03107	2.2
127.07545	1.9
127.11181	2.8
133.07610	1.7
133.10123	9.5
136.08908	2.4
136.80505	1.6
137.02292	3.5
138.98482	4.2
139.11177	19.9
141.05495	2.6
141.06993	4.7
151.07571	4.3
151.11185	32.5
154.06244	3.6
154.07654	2.2
169.05017	1.9
169.06367	2.4
169.07632	13.3
169.10059	4.8
169.12239	65.5
170.08157	2.0
170.09570	2.2
170.12550	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
50.53566	1.2
53.03938	5.0
55.01863	2.3
55.05513	100.0
56.05845	4.1
57.07067	2.6
59.04993	2.9
60.95041	1.3
65.03943	7.3
67.05507	10.7
69.03416	4.8
69.07065	2.9
70.85247	2.2
71.04990	21.6
72.99966	1.4
74.79110	1.4
79.05489	8.5
81.03410	6.1
81.07056	37.9
83.04986	23.2
85.02908	1.8
85.06541	3.2
85.94608	1.7
86.49030	1.3
91.05456	3.0
93.03414	3.5
93.07038	5.1
95.04978	7.5
95.08606	7.6
97.06522	10.1
98.22672	1.6
99.04456	3.3
105.07039	3.6
107.08598	11.4
109.02875	11.6
109.06505	11.0
109.10156	10.5
110.03684	1.8
110.06044	1.6
111.04432	7.9
111.08084	9.7
113.05946	1.9
123.04386	1.9
123.08075	5.9
123.11703	8.9
125.05983	3.2
126.03147	6.3
133.10138	2.7
141.05542	6.4
141.07045	2.3
151.03915	2.5
151.11160	4.9
152.07072	1.9
169.04950	4.2
169.06308	1.9
169.07597	3.0
169.10088	2.1
169.12245	4.4
170.09636	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	Geranic acid
Peak:m/z	Relative Intensity
55.01863	1.0
55.05505	1.6
57.03429	1.7
57.07069	1.3
59.04996	3.2
65.03928	0.8
67.05504	15.0
69.03436	1.2
69.07066	5.5
70.56911	1.4
71.04996	5.6
73.06563	3.0
79.05488	1.9
81.07059	13.9
82.07361	0.5
83.04970	0.9
83.08620	1.4
84.92337	0.5
85.02903	18.1
85.06540	1.2
91.05485	1.0
93.07052	2.6
95.04959	3.4
95.08602	2.9
97.06517	2.3
99.04450	1.1
105.07013	1.9
107.08599	8.0
109.06515	3.9
109.10156	100.0
110.10496	4.9
111.08080	4.6
113.06023	1.4
116.68066	0.5
121.10163	0.7
123.08067	2.5
123.11705	10.9
125.09621	1.5
133.10132	1.6
141.07057	0.7
151.11186	4.6
169.06364	0.5
169.10126	1.2
169.12221	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
55.05496	0.4
56.96568	0.1
57.07073	2.1
60.04510	0.2
69.06845	0.5
69.07266	0.7
72.04517	1.4
82.72630	0.1
83.08618	0.3
86.06076	1.1
86.09706	100.0
87.10029	2.4
89.07142	0.5
92.04970	0.2
93.05798	0.2
98.23296	0.3
115.05474	0.2
116.10697	0.9
124.07614	0.2
128.06230	0.8
128.10716	19.7
129.06989	0.4
129.11086	0.8
141.06998	0.6
142.07753	0.2
142.12259	0.4
143.08540	1.3
155.08546	0.6
156.09387	1.8
157.75328	0.1
158.24129	0.1
170.08278	0.2
170.09486	0.2
170.10677	0.3
170.11812	2.9
170.37355	0.1
171.08044	0.5
171.11716	1.5
171.14885	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0653
Annotation	AC1OCV3S
Peak:m/z	Relative Intensity
51.02370	0.5
53.03927	1.0
55.01850	1.1
55.05513	2.5
63.06055	0.3
65.03622	0.6
65.03943	8.9
67.05495	0.5
68.02647	3.8
68.99792	2.3
69.03444	1.4
69.07050	0.6
69.22260	1.9
70.94241	1.1
71.04984	0.4
72.04521	2.2
79.01863	4.6
79.05492	4.3
81.03406	1.0
81.07050	0.3
83.04982	11.5
83.08618	0.6
88.95274	1.1
89.07139	1.3
93.03404	3.0
95.01344	0.3
95.04960	0.3
96.02105	1.1
97.02903	0.9
97.06525	1.1
98.97581	0.4
107.04958	2.3
107.67099	0.3
109.06510	0.2
110.03663	1.1
111.04444	100.0
112.04785	2.8
113.02367	0.7
121.03159	0.3
121.03997	2.4
125.02371	0.3
125.06011	3.0
126.03162	0.3
128.04747	0.3
130.96324	0.5
135.04417	5.4
135.05379	0.4
139.03902	24.1
140.04492	0.5
141.01945	0.4
143.07065	0.7
147.96553	0.4
153.05478	2.9
153.09143	0.3
156.04185	0.5
157.04993	0.7
165.97656	0.4
171.06584	11.0
171.15016	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0653
Annotation	AC1OCV3S
Peak:m/z	Relative Intensity
50.73715	0.4
53.03939	1.3
55.01876	3.4
55.05511	5.3
56.96581	0.4
57.03440	0.4
65.03940	33.2
66.04275	0.5
67.05502	1.8
68.02634	0.7
68.99783	10.7
69.03435	2.2
69.07063	0.4
69.97617	1.6
70.94269	2.1
71.01359	1.0
71.04982	0.5
72.04510	3.9
79.01860	1.3
79.05486	3.2
81.03419	5.8
81.07043	0.5
81.69280	0.4
83.01321	0.7
83.04982	12.9
83.08616	1.2
88.95296	1.3
89.07140	1.6
93.03400	11.9
93.07040	0.5
94.03735	0.6
95.04982	0.6
96.02097	1.6
97.02892	1.9
98.97560	1.0
107.04945	1.8
108.76556	0.4
109.02852	0.5
110.03654	0.5
111.04438	98.3
112.04774	2.7
116.98612	0.9
121.02900	1.4
121.03978	10.5
125.05985	0.6
125.07130	0.7
127.03863	0.6
135.04407	1.4
139.03896	100.0
140.04245	4.4
150.03326	0.5
153.01830	1.0
153.05457	0.6
156.09312	0.7
171.02928	1.0
171.06555	5.0
171.07790	1.0
171.14938	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0766
Annotation	N-Nitrosoguvacoline
Peak:m/z	Relative Intensity
54.03477	0.4
55.01879	2.7
55.05515	0.7
56.05053	0.3
57.03427	0.4
59.04996	1.2
65.03952	1.4
67.05504	0.6
68.05029	1.2
68.99794	0.8
69.03441	0.7
69.61516	1.5
70.06582	0.9
72.04519	2.0
81.03413	0.7
81.04549	1.1
81.07041	0.5
82.01446	0.5
83.01340	0.4
83.04977	1.0
83.08635	0.5
84.04502	0.4
84.08154	0.5
85.02887	0.4
85.07672	3.0
87.04475	3.6
89.07144	0.9
93.03378	0.4
95.06094	8.7
95.49741	0.3
96.06877	73.7
96.35458	0.3
97.02878	1.1
97.07681	10.3
98.07196	0.3
99.04437	0.4
100.02473	1.4
100.03928	0.4
101.00899	1.6
107.08595	0.4
111.00797	0.5
111.04445	4.5
111.05585	0.4
111.12326	0.3
115.02454	0.3
115.03943	1.8
118.03543	0.5
119.01918	3.2
120.02013	0.4
121.01678	0.6
121.03973	0.4
125.07121	70.7
125.37423	0.3
126.05483	0.3
126.07478	2.1
126.09149	0.3
131.01939	0.6
135.06409	0.4
137.02959	0.7
139.00298	0.5
139.03918	4.0
144.05048	0.5
145.03456	0.5
148.06165	0.3
153.06491	1.9
154.08629	0.5
157.03484	0.4
161.02898	0.3
171.07658	100.0
171.11176	4.8
172.08029	3.0
172.09544	0.5
174.98610	0.4
190.05684	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1167
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
50.92995	0.5
53.03956	0.5
55.05512	1.7
57.02987	0.4
69.71080	1.3
69.71485	1.2
72.04520	1.6
72.33286	0.4
79.05499	1.5
82.04973	0.4
82.37820	0.5
89.07181	1.0
91.05470	3.1
93.07078	0.6
101.35052	0.5
105.07048	2.4
115.05456	4.4
117.07038	1.7
128.06224	31.7
129.07016	27.0
130.07346	1.2
130.07762	1.4
131.08557	1.6
137.29939	0.4
141.06989	27.1
142.07796	15.4
143.08560	55.9
144.08864	2.9
145.06447	1.2
152.06274	0.6
153.06950	1.1
155.06001	2.1
155.08557	6.9
156.09341	100.0
157.09665	6.5
168.01361	0.4
169.10147	1.1
171.06616	1.0
171.08044	8.5
171.11685	89.2
172.08780	1.3
172.12029	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1168
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
53.03947	0.5
55.05514	2.9
58.10668	0.5
59.11786	0.5
65.92632	0.5
69.16129	1.9
69.16549	2.5
72.04519	2.6
79.05495	1.6
83.08600	0.6
89.07146	2.3
91.05465	4.0
93.07070	0.9
103.05481	1.1
103.77238	0.4
105.07036	1.9
115.05445	5.6
117.07000	2.6
123.94263	0.5
125.16663	0.5
128.06221	35.6
129.07014	29.1
129.07994	0.5
130.07741	1.9
131.08556	1.8
134.57332	0.5
141.06984	28.1
142.07788	19.6
142.08905	0.8
143.08557	69.1
144.08853	4.2
145.06493	0.9
153.06975	1.4
154.07755	0.6
155.06013	2.1
155.08565	7.2
156.09344	100.0
157.09685	5.7
169.10100	1.1
171.08141	4.8
171.11685	86.6
171.14847	1.8
172.12050	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1168
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
53.03957	0.7
55.05513	4.5
69.50697	0.3
71.30167	0.7
72.04516	17.4
79.05510	1.3
83.08620	4.4
88.29269	0.4
89.07155	12.0
91.05480	3.0
93.07043	0.7
103.05470	0.9
105.07037	2.3
115.05452	2.8
117.07018	1.6
127.05451	0.5
128.06219	19.3
129.07021	15.5
130.07739	1.4
131.08577	0.9
139.03957	0.5
141.06113	0.4
141.06985	24.9
142.07794	8.9
143.08565	33.5
144.08923	1.5
145.06502	0.6
153.06985	1.5
155.06049	1.1
155.08551	6.2
156.09348	100.0
157.09660	5.8
169.10129	0.6
171.11691	54.9
171.14888	9.5
172.12083	3.9
172.15216	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.138
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
55.05511	19.0
57.03429	3.4
57.07078	6.6
59.05002	4.3
65.21436	1.9
66.83456	1.6
67.05502	14.6
68.02030	2.2
69.03439	6.2
69.07068	62.3
69.51928	12.0
69.52325	3.2
71.04988	3.1
72.04536	4.2
79.05505	8.9
81.07056	14.3
83.04965	3.8
83.08626	15.9
89.07153	2.4
91.05487	8.6
93.07041	58.8
94.07398	3.4
95.08600	41.4
96.08975	2.4
97.06528	76.1
97.10176	4.6
98.06860	2.4
105.07004	3.3
107.08591	100.0
108.08942	3.0
109.06541	2.4
109.10150	41.7
110.04478	2.0
111.08105	6.5
111.11724	8.3
115.05437	3.7
121.57138	2.3
128.05397	2.8
128.06171	10.8
129.07051	11.0
135.10657	3.5
135.11693	70.3
141.06979	11.7
142.07838	3.1
143.08548	17.2
144.88629	1.9
153.11499	2.2
153.12741	44.1
155.08556	4.6
156.09344	73.7
157.06485	9.2
157.09697	3.0
171.08051	9.8
171.11691	44.8
172.08795	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1379
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
52.38960	5.4
53.58519	4.9
55.05522	26.0
57.03431	5.6
57.07076	6.7
59.04998	7.7
62.35552	5.5
65.55591	5.3
67.05519	31.6
69.03409	7.2
69.07060	53.1
71.04985	18.1
71.30549	8.1
72.04513	52.3
72.54495	4.8
73.09958	5.2
73.67239	4.7
76.89030	4.9
79.05493	11.9
81.07049	23.0
83.04979	5.8
83.08633	29.5
89.07161	33.1
91.05484	13.2
93.07036	62.1
95.08606	54.4
97.06539	85.3
105.07048	5.7
105.85338	5.2
107.08590	100.0
109.10162	53.4
111.08041	15.3
111.11730	6.0
115.05473	13.5
121.73313	5.4
128.06219	40.2
129.06996	10.9
135.11696	63.8
141.07013	9.5
143.08559	24.4
144.08025	6.6
153.12737	45.7
156.09364	42.9
171.05635	11.5
171.08034	35.3
171.11656	33.6
171.14922	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.138
Annotation	6-Hydroxy-2,6-dimethyl-7-octen-4-one
Peak:m/z	Relative Intensity
52.13075	0.9
52.63403	0.8
53.03939	2.3
54.17971	0.7
55.01874	1.2
55.05511	9.4
57.03433	3.4
57.07076	82.2
57.15661	0.8
58.07410	1.6
59.05003	8.1
60.31258	0.7
63.86208	0.7
65.97415	0.9
66.67273	0.8
67.05503	13.5
69.03452	1.3
69.07066	30.1
69.47244	4.1
70.92252	1.1
71.04992	100.0
72.04523	3.1
72.05319	1.3
73.06548	2.8
79.05496	2.1
79.06646	0.8
81.07047	7.2
81.07408	0.7
83.04965	2.0
83.08620	9.8
85.06541	48.7
86.06861	1.2
86.09715	1.5
87.10049	1.9
89.07159	2.3
91.05486	1.3
93.07049	9.6
95.04987	3.1
95.08590	7.0
97.06522	14.3
98.22603	1.8
101.09649	11.6
103.05489	1.0
105.06965	0.9
107.08591	7.9
109.10149	11.8
111.08076	7.2
111.11729	3.3
115.05451	1.3
115.07606	1.5
127.11188	43.0
128.06207	7.5
128.11569	1.0
129.06963	3.0
135.11679	2.8
139.33588	0.8
141.06990	3.3
142.07736	1.6
143.08569	10.1
153.12735	14.1
155.06021	1.1
155.08606	1.8
156.09343	18.1
157.09718	1.0
171.08032	5.3
171.11684	13.2
171.13771	12.1
171.14952	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.138
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
50.54799	4.8
51.57653	4.5
55.05505	18.3
55.50671	5.6
57.07065	4.8
64.87578	4.8
65.24093	4.2
65.76157	6.0
67.05500	11.6
69.06779	23.8
69.07104	100.0
71.04999	14.1
72.04494	26.3
72.91420	4.9
79.05506	9.9
81.07062	37.9
82.14477	5.0
83.04989	10.6
83.08607	24.1
89.07152	24.9
91.05476	8.4
93.07044	37.5
95.08610	22.3
97.06532	13.0
107.08588	42.2
109.10147	23.0
115.05468	10.5
128.06233	62.8
129.07001	6.4
135.11711	32.5
143.08551	60.8
144.08046	21.6
153.12718	7.3
155.06046	6.6
156.09344	23.2
161.64948	5.2
166.82898	5.5
171.05559	8.0
171.08060	31.8
171.11699	15.2
171.14960	14.3
172.07520	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.138
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
52.10882	2.9
53.00296	3.6
55.05508	26.0
55.29092	3.2
57.07075	5.7
59.04993	8.0
61.02924	4.7
65.03968	3.4
65.04385	2.7
67.05502	25.1
68.97565	3.0
68.99791	3.8
69.07069	34.5
70.83420	5.0
70.83780	3.1
70.94221	3.0
71.04991	59.4
72.04514	41.2
73.06551	18.3
75.04496	4.7
79.05499	23.5
81.07059	100.0
83.04952	6.4
83.08620	13.4
85.02890	3.1
85.06544	12.0
88.95334	3.0
89.07156	29.0
91.05482	10.1
93.07046	58.0
95.08609	21.0
97.06525	18.0
98.97562	6.7
99.04440	4.6
105.07029	6.9
107.08595	57.4
109.10151	66.4
111.04369	3.0
115.05384	3.3
118.97845	3.4
123.11694	24.1
125.09615	5.9
128.06227	15.6
135.11690	62.5
136.12036	4.9
137.88658	3.5
141.06992	14.8
141.12753	38.8
143.08549	17.7
144.05571	3.9
150.88773	2.9
153.12740	45.2
155.08646	3.1
156.09349	50.7
157.06410	3.0
157.09644	3.5
171.02948	5.1
171.05571	16.4
171.08008	10.4
171.11647	39.0
171.14957	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.138
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
53.03946	3.2
55.05506	27.7
57.03431	4.5
57.07070	5.0
57.64325	3.0
59.05000	7.8
61.02920	5.2
67.05505	26.4
69.07075	35.1
70.94267	3.4
71.04995	71.7
71.29386	3.1
72.04517	26.2
73.06556	20.1
75.04498	4.4
79.05489	28.5
81.07056	100.0
82.07407	3.3
83.04977	6.3
83.08641	10.0
85.06536	14.2
88.95261	2.6
89.07139	20.9
91.05463	11.3
93.07043	64.5
93.54299	2.1
95.04979	2.8
95.08610	23.2
97.06525	15.4
98.97549	2.2
99.04435	2.8
99.08102	2.7
101.06030	2.0
105.07024	3.4
107.08592	67.9
109.10155	87.6
110.10512	2.9
111.04429	3.6
111.08092	6.0
111.11736	2.6
115.05469	5.2
123.11696	25.8
125.09599	4.3
128.06219	11.6
129.07008	5.8
135.11699	67.8
139.03835	2.2
141.06982	6.3
141.12735	39.6
142.07776	2.7
143.06015	2.9
143.08569	15.4
153.08974	2.2
153.12744	40.1
153.13911	3.6
155.08600	2.7
156.09349	45.3
171.05571	13.6
171.08000	7.1
171.10222	3.8
171.11664	25.7
171.14973	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1381
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
51.07879	1.3
55.05512	10.7
57.03444	2.0
57.07061	1.9
57.98845	1.2
59.05004	2.9
59.32592	1.2
60.56527	1.4
61.02930	8.9
62.96511	1.3
66.91063	1.2
67.05510	19.0
69.07069	27.4
71.30618	1.4
72.04523	17.0
79.05502	9.4
81.07066	11.0
83.04993	2.4
83.08635	8.2
83.09045	1.3
89.07166	13.4
89.07720	1.6
91.05443	6.2
93.07047	26.1
95.08607	16.3
97.06558	2.7
105.07072	3.3
107.08588	33.6
108.08953	1.6
109.10158	100.0
110.10500	4.8
111.11717	2.4
125.94172	1.3
126.05560	1.4
128.06210	7.8
129.07013	3.3
135.11697	27.0
139.95358	1.5
141.06972	2.9
143.08571	8.6
156.09341	12.3
171.05583	2.1
171.08095	4.6
171.11618	10.5
171.14964	6.2
192.03868	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0961
Annotation	Palutropone
Peak:m/z	Relative Intensity
53.03938	0.4
55.05509	4.1
55.63924	0.3
59.04986	0.6
67.05504	0.5
70.50958	0.6
72.93784	1.3
73.92390	0.2
83.04983	4.0
84.04526	0.3
85.23646	0.2
86.94536	0.2
87.04453	0.2
89.02368	0.3
90.94806	0.8
91.05485	2.4
92.24455	0.3
97.02884	0.3
101.06023	3.1
103.05441	0.5
105.07021	5.6
111.04447	4.3
113.06023	0.4
115.05423	2.3
116.06260	0.5
117.07016	3.3
119.08562	0.8
127.07565	0.5
128.06184	1.3
129.05453	1.0
129.07010	3.7
130.07806	5.6
131.04930	0.6
131.08580	4.0
132.08904	0.3
143.08595	2.1
144.09317	0.5
145.06506	2.3
145.10124	12.4
146.10449	0.5
149.96143	0.6
150.96881	0.4
153.06972	1.7
154.07761	0.3
155.06013	0.5
155.07045	2.3
155.08545	5.0
156.08865	0.3
157.06461	1.4
158.07272	14.7
158.10918	1.9
159.07848	0.9
172.08720	0.8
173.09607	100.0
173.13152	5.8
174.06754	1.9
174.09970	5.7
183.09155	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	24.8
55.93521	1.3
57.03432	0.6
59.04997	4.5
59.06122	1.2
67.05499	1.4
69.03418	1.5
69.07065	10.1
69.58016	3.8
69.73349	0.6
70.95858	4.4
71.06113	4.6
72.56563	0.6
72.93788	42.8
73.02920	2.3
73.06557	4.6
81.03432	0.9
81.07068	1.4
83.04980	24.7
85.02914	2.0
85.06551	1.1
85.07673	1.7
86.09704	100.0
87.04456	1.7
87.10038	1.3
88.49952	0.6
88.96955	0.6
89.02383	2.3
89.94049	2.3
90.94827	34.5
91.05514	1.4
97.06520	6.9
99.04475	1.7
101.06021	17.3
103.03280	0.6
105.06996	1.6
107.95087	1.4
108.95863	7.3
111.04443	30.1
111.98473	2.3
112.04772	1.0
113.02361	1.6
113.06017	3.5
113.96401	3.9
114.05502	0.6
115.07513	3.4
117.07023	0.9
118.06533	6.7
127.07566	3.4
127.12314	27.2
128.07062	0.9
128.10732	0.8
129.05475	7.8
129.06924	0.8
129.99529	1.6
131.08527	1.9
131.96227	0.9
131.97429	5.3
132.10210	5.9
132.95833	10.1
137.05959	0.9
143.08546	0.6
145.06479	0.8
145.07602	0.7
145.10107	2.8
146.06003	12.0
148.97827	0.7
149.96101	12.4
149.97179	0.9
149.98480	1.4
150.96890	12.7
155.05978	5.0
155.07022	15.5
155.11783	2.3
155.97414	2.3
156.06789	2.7
156.10211	2.8
158.10948	1.3
167.95822	1.0
167.97157	11.6
168.97832	0.8
172.06314	5.6
173.07066	27.1
173.08153	14.2
173.12854	41.1
173.98468	2.6
174.05492	3.5
174.07315	1.4
174.13086	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.01850	0.6
55.05515	14.4
56.05843	0.7
57.03445	0.6
58.70107	0.6
59.04988	2.3
61.59380	0.6
65.03937	1.1
67.05502	4.2
69.03414	1.1
69.07053	1.0
69.43150	2.7
70.95853	0.8
71.05021	0.5
72.93792	4.7
79.05497	3.6
81.07060	4.4
83.04984	15.5
85.02907	0.6
85.06518	0.6
87.04453	1.1
90.94833	3.4
91.05482	14.9
93.07043	1.1
95.08603	1.3
95.79704	0.6
97.06561	0.6
99.04461	1.5
101.06019	9.6
102.06339	0.6
103.05444	1.5
105.07035	13.4
106.07382	0.7
107.08592	0.6
108.95855	0.7
109.10138	0.8
111.04438	16.1
112.04736	0.7
113.05968	1.2
113.96395	0.6
115.05437	3.7
116.06281	3.8
117.07024	8.9
118.06541	0.9
119.08582	18.0
120.08951	0.8
127.07536	2.1
128.06219	3.6
129.05530	4.6
129.06998	14.2
130.07843	5.0
131.08571	61.3
131.97433	0.9
132.08925	2.6
132.95813	1.8
133.06459	0.7
133.10101	4.7
137.09680	0.7
142.07785	1.1
143.08566	39.6
144.09364	8.3
145.06458	2.0
145.10132	32.2
146.06004	2.0
146.10466	2.0
149.96078	1.5
149.97192	0.9
150.96883	1.8
155.05905	1.0
155.07040	9.1
155.08400	1.0
156.09402	2.5
157.10104	2.2
158.07358	3.4
158.10912	46.3
159.11232	2.9
167.97125	0.9
171.11723	2.8
173.05849	0.9
173.08119	12.4
173.09619	4.6
173.10805	3.8
173.13261	100.0
174.05447	1.0
174.13615	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.6
55.05515	14.4
56.05843	0.7
57.03445	0.6
58.70107	0.6
59.04988	2.3
61.59380	0.6
65.03937	1.1
67.05502	4.2
69.03414	1.1
69.07053	1.0
69.43150	2.7
70.95853	0.8
71.05021	0.5
72.93792	4.7
79.05497	3.6
81.07060	4.4
83.04984	15.5
85.02907	0.6
85.06518	0.6
87.04453	1.1
90.94833	3.4
91.05482	14.9
93.07043	1.1
95.08603	1.3
95.79704	0.6
97.06561	0.6
99.04461	1.5
101.06019	9.6
102.06339	0.6
103.05444	1.5
105.07035	13.4
106.07382	0.7
107.08592	0.6
108.95855	0.7
109.10138	0.8
111.04438	16.1
112.04736	0.7
113.05968	1.2
113.96395	0.6
115.05437	3.7
116.06281	3.8
117.07024	8.9
118.06541	0.9
119.08582	18.0
120.08951	0.8
127.07536	2.1
128.06219	3.6
129.05530	4.6
129.06998	14.2
130.07843	5.0
131.08571	61.3
131.97433	0.9
132.08925	2.6
132.95813	1.8
133.06459	0.7
133.10101	4.7
137.09680	0.7
142.07785	1.1
143.08566	39.6
144.09364	8.3
145.06458	2.0
145.10132	32.2
146.06004	2.0
146.10466	2.0
149.96078	1.5
149.97192	0.9
150.96883	1.8
155.05905	1.0
155.07040	9.1
155.08400	1.0
156.09402	2.5
157.10104	2.2
158.07358	3.4
158.10912	46.3
159.11232	2.9
167.97125	0.9
171.11723	2.8
173.05849	0.9
173.08119	12.4
173.09619	4.6
173.10805	3.8
173.13261	100.0
174.05447	1.0
174.13615	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03939	0.7
55.05517	7.6
59.05001	1.4
65.03947	0.8
67.05501	2.9
69.55443	3.7
69.76534	0.5
72.93788	2.2
79.05473	1.7
81.07059	4.1
83.04991	5.0
84.04501	0.9
90.94852	1.1
91.05477	9.8
93.07024	1.2
101.06008	3.9
105.07025	9.8
109.10149	0.6
111.04441	8.6
113.06001	0.8
115.05460	1.4
116.06240	2.2
117.07008	3.9
119.07745	0.4
119.08568	11.7
119.09344	1.0
127.07555	0.9
128.06213	1.0
129.05481	1.4
129.06992	8.1
130.07767	1.7
131.08563	87.9
132.08904	3.8
132.95808	0.6
133.10135	2.1
142.07779	1.1
143.08562	18.9
144.09344	8.4
145.06493	1.1
145.10124	23.8
146.10506	1.0
148.76108	0.5
153.39270	0.5
155.07034	4.5
155.08299	0.8
155.97423	0.8
156.09343	1.9
157.10120	1.0
158.07326	1.2
158.10896	33.6
159.11298	1.3
171.11682	2.5
173.08266	5.8
173.13257	100.0
174.13628	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.05739	0.4
53.03921	0.6
55.05510	4.6
59.04995	0.7
62.03072	0.5
67.05495	2.1
67.15919	0.5
69.73368	1.0
69.73762	1.4
72.93789	1.2
74.59042	0.4
79.05479	0.5
81.07043	0.9
83.04985	3.8
90.94817	0.9
91.05479	7.7
92.05894	0.5
97.02908	0.6
98.22616	0.5
101.06023	2.9
103.05453	0.7
105.07034	8.5
105.07703	0.3
111.04456	4.3
113.06004	0.7
115.05436	3.7
116.06282	1.1
117.07021	5.9
119.08579	14.7
125.62485	0.5
128.06221	2.1
129.05531	1.0
129.07007	7.2
130.07796	3.4
131.08571	35.9
132.08871	1.2
133.10112	3.6
142.07784	0.8
143.08562	26.4
144.09369	7.0
145.06493	3.2
145.10132	26.9
146.10434	0.9
155.07043	3.2
155.08560	1.9
156.09312	0.9
157.10150	1.2
158.07309	4.3
158.10912	40.2
159.11235	2.5
171.11726	2.3
173.02325	0.6
173.08194	3.5
173.09627	45.2
173.13257	100.0
174.09944	2.7
174.13591	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03980	0.6
55.05512	6.2
55.53023	0.6
57.65370	0.5
59.04998	1.3
67.05515	3.0
71.29825	0.6
72.93788	0.9
79.05504	1.9
81.07063	5.5
82.27018	0.5
83.04984	6.2
84.04506	0.7
85.06558	0.7
91.05477	11.2
91.06017	0.9
93.07042	1.0
95.08602	1.1
97.02922	0.7
99.08080	0.9
101.06007	3.9
103.05460	1.2
105.07037	10.9
107.08582	0.6
111.04455	7.5
115.05476	2.2
116.06220	2.8
117.07027	7.2
119.08582	14.0
127.07604	0.6
128.06180	3.3
129.05472	1.5
129.07013	10.8
130.07855	3.4
131.08568	73.2
132.08896	3.6
132.93645	0.5
133.10117	2.9
142.07753	0.7
143.08556	22.5
144.09372	9.5
145.06483	1.9
145.10124	34.0
146.10481	1.3
155.04915	0.9
155.06065	0.7
155.07028	4.0
155.08476	1.3
156.09329	1.7
157.06433	0.6
157.10123	1.0
158.07272	2.1
158.10904	32.1
159.11243	1.6
170.44327	0.5
171.11661	2.1
173.05981	6.0
173.08124	5.9
173.09671	5.3
173.13260	100.0
174.06757	2.9
174.13599	5.2
179.77759	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.055
Annotation	1-Nitronaphthalene
Peak:m/z	Relative Intensity
55.01869	0.5
55.05498	1.5
56.05025	0.6
56.05832	0.9
56.81565	0.4
56.96550	0.4
60.05637	2.8
60.27439	0.3
65.03941	2.9
68.05026	0.5
69.03438	0.7
70.06593	7.9
70.95866	6.8
71.28043	0.6
72.08160	0.9
72.93403	0.6
72.93792	10.2
73.06537	0.4
73.93825	1.1
80.04539	0.3
80.05012	0.7
81.07069	0.5
83.04968	1.1
84.05309	1.3
84.08118	0.6
85.02897	0.6
86.06021	0.4
88.96902	1.5
90.94826	5.7
91.05482	16.0
91.94871	1.3
92.05791	0.6
93.92609	0.3
97.02879	0.6
98.98472	4.3
101.00887	1.3
101.06020	0.7
102.02251	0.6
102.06389	0.8
103.02478	1.8
104.04983	0.6
108.95856	1.1
110.06031	0.4
111.04458	0.8
111.98466	4.1
112.04790	1.1
112.08683	0.3
113.96388	1.0
115.02398	0.5
116.04955	0.5
116.07076	2.0
117.05767	7.6
118.06545	22.2
119.01914	4.8
119.05005	0.6
119.06860	2.1
119.08578	0.4
120.02060	0.6
121.03498	0.5
125.04488	0.8
128.03444	1.7
128.04971	1.4
128.07048	0.8
128.07895	0.6
129.98680	0.4
129.99503	2.2
130.05769	0.8
130.06616	0.6
130.09760	1.0
131.01949	0.4
131.04854	0.4
131.97458	4.2
132.04425	2.6
132.05154	1.6
132.08112	0.7
132.95837	13.3
133.03464	3.6
136.07578	1.0
136.64447	0.3
137.02959	1.6
145.03456	1.2
145.07587	0.5
145.08789	0.3
146.06007	100.0
147.04530	0.5
147.06367	5.5
148.07585	0.6
149.96111	1.0
149.98489	2.9
150.06120	1.3
150.96895	20.5
151.04529	1.3
151.97043	0.6
155.97426	2.9
156.04468	0.5
156.05170	0.5
156.06281	2.1
156.07333	0.8
156.97501	0.4
157.05319	0.4
157.07196	1.0
158.06035	0.5
160.03983	2.3
160.05127	0.5
167.97206	1.0
168.97276	0.5
173.04712	0.9
173.06717	1.8
173.98511	4.3
174.05536	47.5
174.07455	11.1
174.12680	1.9
174.14873	0.5
175.04520	4.7
175.05901	2.1
175.07315	0.6
175.08740	2.7
175.11888	1.2
192.07237	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
55.05505	0.8
56.05844	0.4
57.03432	0.3
57.07078	4.8
60.04515	0.3
60.05646	0.7
61.02929	2.8
64.39120	0.2
67.05510	0.3
69.07069	0.5
70.06598	2.3
70.95864	0.5
72.08162	0.3
72.93776	0.4
73.02909	0.9
79.05486	0.4
81.07051	1.1
83.04987	0.6
84.04520	0.3
84.05314	0.6
86.09705	100.0
87.09502	0.4
87.10023	2.7
89.06036	3.2
91.05486	1.8
93.07028	0.6
95.08598	0.5
96.30807	0.2
97.02900	1.0
98.98466	5.2
101.06033	0.4
102.06360	0.4
105.07035	4.7
106.07388	0.2
111.04427	0.3
111.98457	0.3
112.04779	0.8
113.28925	0.3
114.05493	0.4
115.05470	0.6
116.04631	0.2
116.99551	0.3
117.07030	0.7
118.06547	0.3
119.08575	4.0
128.07094	0.3
129.07022	0.6
131.04909	0.3
131.08554	1.0
131.97464	0.4
132.05704	0.5
132.08029	0.4
132.08893	0.4
132.95839	0.9
133.10126	3.9
142.07813	1.4
144.05751	0.3
145.06433	0.4
145.10075	0.5
146.05975	0.9
146.07027	0.3
146.10497	0.6
146.11775	0.6
147.08035	0.7
147.11732	0.5
150.96890	1.4
156.07422	0.6
157.10129	2.2
159.08040	0.5
160.05154	1.2
160.08821	0.8
173.98436	0.4
174.05475	0.8
174.07524	0.6
174.10274	0.4
174.12755	0.7
174.13629	0.5
174.14903	13.4
175.07494	2.9
175.08681	0.3
175.11121	3.3
175.14850	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	0.6
57.03427	0.6
57.93553	0.7
58.99853	2.3
69.77557	1.9
73.04082	0.4
73.06550	1.5
75.95110	0.5
77.00915	0.6
82.99854	1.6
85.01404	6.9
91.05484	0.8
97.01411	0.6
98.97588	1.3
98.98460	10.7
100.02478	0.5
101.00880	15.9
102.00973	1.3
103.00614	1.6
103.02447	29.7
104.02473	1.1
113.00875	1.4
115.02430	7.7
115.04079	0.6
116.03799	0.5
116.97232	3.2
116.98629	0.9
119.01920	63.1
119.08562	1.3
120.02005	6.5
121.01667	5.0
121.03484	12.0
122.03572	1.1
127.02409	0.9
130.38080	0.4
131.01907	3.4
131.99516	0.7
133.03470	67.7
133.05150	4.9
134.03566	3.8
134.04825	2.2
137.02956	22.7
138.03044	1.6
139.02692	1.5
142.03510	1.3
145.03458	17.9
146.03542	1.6
148.03891	0.8
149.02946	1.0
151.04523	30.6
151.06169	2.5
151.98517	0.7
152.04604	1.4
152.05862	1.1
152.96909	1.6
156.05040	1.4
157.03499	3.4
157.05225	2.3
158.04826	0.7
163.04527	9.7
171.01363	1.0
174.06076	0.7
175.04541	100.0
175.06224	13.4
175.14795	0.7
175.98524	0.6
176.04671	6.5
176.05939	2.6
193.05577	4.5
193.07390	4.4
194.06958	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0756
Annotation	1,8-Dihydroxy-3-methylnaphthalene
Peak:m/z	Relative Intensity
53.03939	0.6
55.01868	1.2
55.05502	1.3
57.93565	0.4
60.05649	0.9
63.67861	0.4
65.03916	0.8
65.32145	0.4
67.05503	0.9
68.96172	0.4
69.03442	0.9
69.07053	0.9
70.06599	3.2
79.05499	3.5
81.07065	0.8
83.04980	0.5
89.03921	0.6
91.05485	33.9
92.05820	1.2
93.07035	1.0
95.04971	0.9
95.08590	1.3
98.98473	7.8
103.05478	2.5
104.06260	0.8
105.03422	0.5
105.07037	11.0
106.06557	1.1
106.07328	0.4
107.04957	29.3
107.08604	0.8
108.05295	1.3
113.06001	0.9
115.05456	1.8
116.06303	0.5
116.07093	0.7
116.97202	0.9
116.98576	0.5
117.05685	0.5
117.07027	4.3
118.06551	0.5
119.04961	3.8
119.08583	28.3
120.08114	5.3
120.08893	1.0
121.06473	0.6
128.06223	2.8
129.07004	5.3
130.06532	39.3
131.04945	2.8
131.08569	2.4
132.04463	7.6
132.05711	13.2
133.06499	12.1
133.10132	4.0
142.07793	1.9
145.06485	4.1
145.10097	0.7
146.06038	0.5
146.07225	0.7
147.04453	2.7
147.08051	100.0
147.11670	3.4
148.07413	5.9
148.08450	3.2
150.96902	0.5
155.05997	1.0
157.06496	4.7
157.07611	0.5
157.10103	2.6
158.06009	9.3
160.05170	5.1
160.08856	1.4
175.03922	0.9
175.07530	16.2
175.08742	6.1
175.11137	8.9
175.14812	4.1
176.06903	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
50.01275	0.5
51.35287	0.6
53.03932	0.6
54.05137	0.6
55.01888	1.3
55.05503	2.6
57.03441	17.4
65.03936	1.2
67.05176	0.9
67.05506	11.2
69.03426	1.3
69.07055	2.2
69.78596	2.6
70.28751	0.6
73.52149	0.5
79.05500	6.4
81.03423	1.3
81.07063	6.5
91.05483	20.0
93.07053	4.8
95.04968	11.4
95.08607	3.5
98.23254	0.9
98.98474	4.3
103.05473	2.1
104.06232	0.9
105.07036	31.5
106.07394	0.9
107.04982	7.8
107.08586	2.2
112.50263	0.6
115.05448	2.2
116.06277	0.9
117.07030	6.6
119.04935	1.3
119.08586	51.7
120.08911	1.7
121.06518	5.5
128.06216	2.4
129.07019	6.8
131.04945	4.4
131.08556	4.7
132.05740	2.9
132.09370	0.8
133.06497	25.5
133.09207	1.1
133.10136	14.6
135.08064	2.9
141.06966	1.0
142.07782	11.4
143.05981	0.6
145.06494	9.3
145.10139	1.9
146.07275	32.9
147.08060	63.2
147.11684	15.4
148.08385	2.1
148.12036	0.8
157.07625	2.4
157.10120	11.8
159.08083	0.7
160.08847	9.5
163.45573	0.6
173.09651	1.0
175.07584	2.2
175.11188	100.0
175.14751	12.2
176.11497	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.119
Annotation	D-Arginine
Peak:m/z	Relative Intensity
60.05651	32.3
62.33622	0.3
69.42101	1.4
69.42503	0.5
70.06594	100.0
71.05006	1.9
71.06937	1.8
72.08158	3.8
81.05868	0.3
84.08170	0.5
88.07644	0.7
97.07644	0.7
98.06049	0.9
111.10666	0.2
112.07608	1.5
112.08735	4.3
113.07148	0.5
114.10322	0.6
115.08706	0.9
116.07096	26.9
117.07432	0.8
130.09770	10.9
138.26537	0.3
157.10840	0.7
158.09259	6.5
161.74121	0.3
175.11913	18.0
176.12177	0.5
179.79950	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37029	0.3
55.47133	0.3
56.39148	0.3
60.05650	34.4
61.86860	0.3
63.60471	0.3
70.06593	100.0
70.50340	0.8
71.04986	1.6
71.06921	1.8
72.08162	3.4
81.57248	0.3
87.41430	0.3
88.07619	0.5
88.15128	0.3
97.07651	1.0
98.06081	0.6
112.08741	3.8
113.07140	0.6
114.10299	0.6
115.08721	0.8
116.07095	25.0
130.08794	0.7
130.09769	12.2
141.06541	0.5
157.10884	1.2
158.09244	5.9
175.04446	0.3
175.11914	19.6
176.12193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04840	0.2
60.05649	34.1
68.05042	0.2
70.06592	100.0
70.89268	0.3
71.04995	1.7
71.06919	1.3
72.08157	4.1
73.06445	0.2
74.02425	0.2
88.07655	0.4
97.07655	0.8
98.06055	0.5
112.08729	3.9
112.09458	0.3
113.07129	0.5
114.10297	0.7
115.08702	0.8
116.07091	25.5
117.07426	0.7
119.01948	0.3
130.09763	11.6
131.10100	0.2
133.03448	0.3
141.06610	0.5
150.00696	0.3
157.10847	1.1
158.09259	6.6
159.09560	0.3
167.47430	0.2
175.04518	0.6
175.11906	18.4
176.12270	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.05512	9.8
57.50286	0.8
65.03928	2.0
67.05486	2.3
69.07066	23.7
69.79352	1.2
69.79741	1.9
79.05484	4.1
81.07052	9.6
83.08626	4.2
89.03938	1.1
91.05478	24.2
93.07028	5.7
94.47556	0.9
95.04971	0.9
95.08598	7.9
98.97600	0.7
98.98460	5.2
103.05465	1.3
105.07024	30.9
106.07331	1.1
107.04972	0.7
107.08611	5.3
115.05456	2.8
117.07043	4.1
119.04926	5.0
119.08573	95.8
120.08207	0.7
120.08822	4.0
121.06527	0.9
121.10123	3.3
129.06972	2.7
130.06512	2.4
131.08525	6.3
132.04420	0.7
132.05707	0.8
133.10121	81.3
134.10469	3.2
142.07755	2.1
145.06517	0.8
145.10112	8.2
146.10796	1.1
147.04416	2.4
147.08095	3.7
147.11670	13.2
148.12094	0.8
157.10117	2.0
158.06052	1.5
159.11720	1.7
160.05182	2.6
160.08849	1.2
160.12463	5.7
173.13278	3.4
175.03899	1.9
175.07486	7.8
175.11282	7.5
175.14815	100.0
176.15187	6.2
176.41322	0.7
179.31815	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
51.02380	0.5
53.03943	1.5
54.11052	0.4
55.05513	8.9
57.07065	1.1
65.03949	1.0
65.36298	0.6
65.47290	0.5
67.05510	3.0
69.07069	17.1
69.33936	2.8
72.70168	0.5
77.03957	0.5
79.05489	4.5
81.06656	0.5
81.07056	18.3
83.08621	4.0
91.05480	19.2
93.07042	6.6
95.08605	11.8
98.98443	0.7
103.05482	1.6
105.07033	34.8
106.07375	1.4
107.08604	8.0
115.05487	1.2
117.07043	4.8
118.07887	0.6
119.04946	2.1
119.08580	88.8
120.08826	2.9
121.10165	2.4
129.06999	1.3
130.06552	0.8
131.08560	7.0
132.09317	0.7
133.10130	100.0
134.10432	4.8
135.11653	0.6
142.07799	1.0
145.06447	0.8
145.10127	7.5
146.10892	1.8
147.04434	1.0
147.11691	13.7
157.04071	0.6
159.11711	0.7
160.05183	1.2
160.12498	3.3
173.13269	2.1
175.03931	0.6
175.07521	2.3
175.11436	3.9
175.14827	83.9
176.15150	5.6
188.74533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03940	1.1
55.05508	9.1
57.07062	0.7
57.75417	0.6
59.63344	0.5
60.05651	4.2
65.03928	1.1
66.57674	0.6
67.05501	5.2
69.07066	14.0
70.06586	13.7
71.31210	1.0
74.78711	0.6
79.05484	7.0
81.07054	33.8
83.08615	2.7
91.05477	21.3
92.05803	0.8
93.07034	10.5
95.04973	1.4
95.08603	24.3
96.08949	0.7
98.98458	5.2
99.64153	0.6
101.81481	0.7
103.05457	1.3
104.06292	0.7
105.07028	50.8
106.07355	2.3
107.04939	0.9
107.08582	13.9
107.09270	0.8
109.10152	0.9
112.08778	0.7
115.05461	8.7
116.06315	0.7
116.07095	3.2
117.07015	7.8
119.08575	97.5
120.08863	4.3
120.50760	0.6
121.10139	2.1
129.07025	2.7
130.09801	1.0
131.04929	1.0
131.07677	1.2
131.08566	10.4
132.05669	2.5
132.09326	1.4
133.10124	100.0
134.10416	4.6
142.07779	2.0
143.04913	1.8
144.05705	2.1
145.06421	0.8
145.10109	6.1
146.05975	0.7
146.10887	2.7
147.08031	3.6
147.11679	16.1
148.12036	1.1
157.10135	2.0
159.11742	0.8
160.05211	11.6
160.08847	2.1
160.12494	3.6
161.05624	0.6
173.13271	1.8
175.03983	0.7
175.07535	24.7
175.11055	7.2
175.14815	96.2
176.07849	0.7
176.15179	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.05512	8.2
57.07070	1.6
64.70106	0.6
65.03937	0.6
67.05514	4.5
69.07070	11.7
69.16160	3.6
77.03888	0.8
79.05482	5.9
81.07057	32.5
82.07390	1.3
83.08620	2.7
91.05479	18.1
92.05809	1.0
93.07048	8.9
95.04956	0.8
95.08608	22.4
96.08937	0.7
103.05481	1.2
104.06279	0.7
105.07031	47.0
106.07391	2.2
107.08603	12.0
109.10122	0.9
110.33350	0.6
115.05450	1.4
116.06234	0.8
117.06989	4.0
119.08581	87.0
120.08848	3.4
121.10143	2.3
129.07039	0.7
131.08563	8.8
132.09317	0.7
133.10129	100.0
134.10425	3.9
145.10123	5.3
146.10912	2.3
147.11690	13.2
148.12045	0.9
160.05292	1.0
160.12457	3.2
161.05983	1.8
173.13286	2.3
175.07564	1.8
175.11397	4.5
175.14824	80.7
176.08211	0.9
176.15158	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
51.04874	0.3
52.14385	0.3
53.03951	0.5
54.12678	0.3
55.05510	5.3
57.07062	0.8
61.91529	0.3
63.82124	0.3
65.03935	0.6
67.05504	2.7
69.07064	9.1
70.67378	0.7
77.03924	0.4
79.05488	3.5
81.07053	17.5
82.07364	0.8
83.08627	1.2
91.05476	11.3
92.05829	0.3
93.07041	7.2
95.04972	0.3
95.08604	13.2
98.98462	2.7
103.05474	0.9
105.07026	29.0
106.07346	0.8
107.04969	0.3
107.06727	0.4
107.07858	0.4
107.08591	7.2
115.04752	0.3
115.05426	1.7
116.98608	0.4
117.07003	3.7
118.07781	0.7
119.08576	57.2
120.08863	2.2
121.10155	1.4
123.56628	0.3
129.07010	0.9
131.04988	0.4
131.08551	5.4
132.05679	1.1
132.09364	0.5
133.10123	100.0
134.10452	4.9
142.07765	0.5
143.04895	0.3
143.08563	0.3
144.05637	0.5
145.06493	0.5
145.10124	4.5
146.10948	1.9
147.08032	1.1
147.11678	10.7
148.12112	0.3
151.95110	0.3
157.06436	0.5
157.10150	0.9
159.11700	0.5
160.05162	2.4
160.08807	0.5
160.12459	2.8
167.33194	0.3
173.13223	1.3
175.07521	5.0
175.11444	2.6
175.14815	57.7
176.15170	3.6
180.77394	0.3
181.99907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28467	0.4
53.03946	0.9
55.01900	0.4
55.05512	8.5
56.85208	0.4
57.07088	1.1
60.05651	12.8
61.20090	0.4
65.03947	1.0
67.05503	2.5
68.82508	0.4
69.07066	21.3
70.06592	40.0
70.39180	0.8
71.04988	0.8
71.06944	0.6
72.08160	1.8
74.21317	0.3
77.03934	0.5
79.05492	4.4
81.07055	7.4
83.08625	4.8
84.14182	0.4
89.03923	0.5
91.05478	28.4
92.05806	0.9
93.07036	4.2
95.04973	0.6
95.08596	4.8
96.08178	0.5
98.97598	1.7
98.98463	11.6
103.05475	2.5
104.06235	1.9
105.03410	0.7
105.07030	28.2
106.07365	1.7
107.04960	14.5
107.05695	0.7
107.08595	6.2
108.05274	0.8
108.08149	0.6
109.06506	0.4
112.07616	0.8
112.08722	1.3
113.84710	0.4
115.05463	5.1
116.06284	0.6
116.07083	9.7
116.97233	1.5
116.98625	1.3
117.07012	7.7
118.07825	0.6
119.04965	2.0
119.08578	100.0
120.04427	0.4
120.08092	0.9
120.08862	4.6
121.10155	2.1
128.06218	2.8
129.07031	4.4
130.06531	3.8
130.09761	4.1
131.04924	2.1
131.08571	6.0
132.04651	0.7
132.05714	8.7
132.08038	0.6
132.09338	1.0
133.06528	6.2
133.10127	71.1
134.09587	0.7
134.10483	3.2
134.95865	0.4
134.99648	1.0
135.11688	1.3
142.07780	1.6
143.04886	0.7
144.09314	0.9
145.06517	3.2
145.10115	7.6
146.05986	1.0
146.07149	0.6
146.10847	1.3
147.04503	1.9
147.08047	51.6
147.11681	12.3
148.08472	2.4
152.96948	0.9
157.06477	2.8
157.07593	0.7
157.10089	1.2
158.06027	1.1
158.09247	2.7
158.10532	0.6
159.11717	3.3
160.05208	6.7
160.08865	0.6
160.12473	4.3
161.05594	0.5
173.13255	2.4
175.07524	21.1
175.08670	1.3
175.11835	6.5
175.14816	88.7
175.98557	0.7
176.06889	0.5
176.08029	0.9
176.14313	5.8
176.15320	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.05508	10.3
56.10048	0.7
57.07070	0.7
60.05635	0.9
67.05210	0.7
67.05510	6.6
69.07072	13.5
69.49875	0.5
69.50179	4.6
69.77903	0.6
70.06570	2.2
77.03891	0.7
79.00333	0.7
79.05493	12.4
81.07058	81.7
82.07374	2.0
83.08623	3.3
91.05486	25.3
92.05798	1.1
93.06483	1.0
93.07048	17.2
94.07375	0.8
95.04992	0.9
95.08610	32.9
96.08949	1.3
97.25622	0.6
98.98467	4.2
103.05456	1.6
104.20186	0.7
105.07034	73.8
106.07354	3.2
107.08598	25.9
107.32655	0.6
108.08927	1.0
109.06512	0.6
109.10152	1.9
115.05465	3.1
117.07023	8.1
119.08583	84.4
120.08852	3.7
121.10139	2.0
129.07013	1.9
131.08566	12.2
132.09360	5.3
133.10133	78.9
134.10416	4.1
142.07773	1.2
145.06421	0.8
145.10127	6.3
146.10895	2.7
147.08040	1.6
147.11673	14.3
148.12051	1.0
157.10063	1.4
160.05208	1.7
160.08861	1.3
160.12473	4.3
165.46237	0.9
173.13278	2.8
175.07547	4.3
175.11311	6.3
175.14825	100.0
176.15190	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03940	1.0
55.01867	1.0
55.05512	8.9
57.07069	1.6
57.80259	0.7
62.25101	0.7
65.03927	1.0
67.05501	6.7
69.03058	6.8
69.03394	1.5
69.07066	13.1
70.06593	0.7
75.18351	0.6
76.75389	0.6
79.05495	9.6
81.07059	57.9
82.07387	1.4
83.08624	2.9
91.05480	27.9
92.05795	1.2
93.07050	14.1
95.04964	2.3
95.08606	25.0
96.08920	1.0
98.98451	9.7
101.98972	0.8
103.05478	1.9
105.07030	74.0
106.07351	2.5
107.04935	0.9
107.08595	17.1
109.10162	0.8
115.05481	1.9
117.07013	8.2
117.76982	0.7
117.80502	0.7
117.81364	0.9
119.08579	100.0
120.08835	3.4
121.06528	1.1
121.10159	1.5
129.07022	3.1
131.08575	10.3
132.09352	4.2
133.06461	2.8
133.10129	71.7
134.10349	3.5
142.07751	6.1
145.06503	1.3
145.10107	4.9
146.10953	3.3
147.08028	4.5
147.11688	17.4
148.12042	1.1
157.10127	7.2
160.05168	1.5
160.08841	3.2
160.12448	3.0
173.13324	2.1
175.07520	8.9
175.11224	24.5
175.14819	91.6
176.11526	1.3
176.15149	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
55.01850	0.6
55.05505	7.4
57.07063	1.1
59.04996	14.0
60.05660	3.1
65.03934	0.8
67.05492	5.6
69.06385	6.0
69.07063	12.0
70.06585	9.6
72.08121	0.7
79.05498	7.3
81.07054	22.4
83.08635	1.9
88.44336	0.5
91.05476	59.2
92.05804	1.9
93.07036	14.7
95.08603	23.0
96.08946	0.7
98.23380	1.5
98.98464	14.3
103.05484	0.9
105.07024	68.0
106.07352	2.2
107.04975	0.7
107.08588	11.0
109.10152	0.9
115.05432	5.4
116.07091	2.2
116.97237	1.2
116.98650	0.9
117.07009	29.6
118.07272	0.8
119.04892	0.9
119.08575	84.0
120.08812	3.2
121.10160	1.7
128.06229	1.8
128.74500	0.6
129.06995	17.4
130.07326	0.7
130.09764	1.2
131.07578	0.9
131.08560	23.9
132.09381	8.8
133.06500	4.6
133.10123	79.2
134.10423	3.8
141.06969	4.0
142.07771	50.3
143.08145	3.5
145.06503	0.6
145.10110	5.6
146.10887	2.8
147.08000	0.9
147.11674	18.8
148.12001	1.1
151.93916	1.0
157.10118	82.8
158.10437	5.6
160.05280	1.2
160.08832	1.9
160.12456	1.8
173.13203	1.4
175.07468	3.1
175.11174	53.0
175.14809	100.0
176.07083	0.8
176.11588	3.0
176.15149	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03931	0.7
53.36161	0.5
54.83105	0.5
55.05515	3.8
57.07049	0.6
64.59477	0.7
65.03899	0.8
67.05487	2.4
69.07064	13.0
69.14402	4.0
70.06581	2.1
79.05486	3.3
81.07062	7.5
82.24680	0.5
83.08624	3.1
91.05474	11.5
93.07041	3.9
95.08607	4.3
98.22619	1.2
98.98464	3.0
102.78429	0.5
103.05461	0.8
105.07027	28.2
106.07356	1.0
107.08595	5.4
117.06985	3.8
119.08572	65.0
120.08932	1.7
121.06462	0.6
121.10127	1.6
129.06985	1.6
131.08557	6.0
132.09352	0.9
133.10123	66.2
134.10374	3.1
142.07721	2.8
144.09328	2.0
145.10120	13.8
146.10851	1.0
147.08070	0.9
147.11682	28.4
148.12036	1.0
157.04256	1.7
157.10114	2.8
159.11661	5.1
160.08813	1.6
160.12482	8.1
161.13249	2.7
173.13271	1.5
175.07480	1.0
175.11261	9.0
175.14816	100.0
176.15163	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.011
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05663	0.5
60.24152	0.5
69.03441	1.0
69.46320	2.5
71.04974	0.5
71.06920	1.0
72.08144	0.6
97.02916	0.6
101.00876	1.0
115.21011	0.5
116.07087	0.7
119.01958	1.3
125.81464	0.5
131.01889	2.1
132.02118	100.0
133.02473	3.3
150.03162	0.9
154.03494	0.6
171.05020	1.3
176.01097	20.4
177.01381	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.05511	0.5
56.05038	0.8
65.03944	0.2
67.05510	0.5
69.03416	0.3
69.07068	1.0
69.35170	1.4
72.04525	0.7
77.03918	0.4
78.04705	0.5
79.05491	6.0
80.05861	0.2
80.42579	0.2
81.07056	1.2
83.08613	0.4
84.04515	0.3
89.03919	2.1
91.05476	11.2
92.05814	0.8
93.07044	2.1
95.04966	0.8
95.08601	1.3
98.22677	0.4
98.98461	0.4
103.05466	4.6
105.07027	100.0
106.04166	1.1
106.07365	4.4
107.04993	0.3
107.08593	1.9
109.10150	0.6
115.05401	0.3
116.06219	0.5
117.03378	4.3
117.07014	1.3
118.07310	0.3
119.04939	0.2
119.08564	1.3
120.08907	2.0
121.06523	1.4
121.10134	2.1
129.06961	0.6
131.08563	2.3
132.08867	0.4
133.10095	0.8
134.03607	0.6
134.10458	1.5
135.04410	0.4
135.08073	0.5
135.11674	0.8
143.08147	0.3
145.02835	4.5
145.06520	0.3
148.11981	0.4
149.05971	1.9
149.09560	0.6
158.09578	2.8
159.08041	0.9
159.11670	1.1
162.06769	1.3
176.10678	13.3
176.15114	2.5
177.05531	1.4
177.09113	9.8
177.10835	0.6
177.12619	1.9
177.16374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26480	1.0
53.03941	2.6
55.01866	1.4
55.05515	9.0
63.02371	1.6
65.03943	1.1
67.05503	9.8
69.03423	1.2
69.07072	6.8
71.31298	0.8
77.03923	1.4
78.04707	4.0
79.05486	19.8
80.05852	1.3
81.07057	32.0
83.08608	5.3
89.03917	50.6
90.04237	1.5
91.05473	17.4
91.24250	0.8
93.07039	30.2
95.04958	3.8
95.08605	30.6
96.08878	0.8
97.10151	2.5
98.98447	3.7
103.05457	5.1
105.04482	1.0
105.07011	8.6
105.43053	1.0
106.04194	6.2
107.04965	2.2
107.08595	29.9
109.06485	1.2
109.10167	8.2
115.05484	4.6
116.06269	4.5
117.03380	86.7
117.07011	13.9
118.03729	1.5
119.04935	1.9
119.08580	2.0
121.06525	8.9
121.10136	35.0
124.05230	1.3
129.06966	1.0
131.04955	2.2
131.08574	7.3
133.06506	3.8
133.10109	1.6
134.03636	10.0
134.07242	4.1
135.04408	6.3
135.08035	3.8
135.11697	13.3
144.05672	1.2
145.02847	100.0
145.06474	4.1
146.03189	3.8
147.04398	1.2
149.02293	1.6
149.05981	30.7
149.09636	3.7
149.13264	4.3
150.06352	1.1
159.08035	1.3
159.11748	4.3
161.05959	1.6
162.03145	2.6
162.06761	11.7
162.90665	0.9
163.03926	2.8
175.11220	0.8
177.05487	31.9
177.09106	86.8
177.12610	7.1
177.16382	22.1
178.05740	0.9
178.09468	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.61104	0.4
53.02127	0.5
53.03950	0.8
59.28910	0.4
61.18911	0.4
63.02383	1.7
65.29404	0.5
70.60118	1.3
78.04716	3.9
79.05497	0.6
79.23962	0.5
81.07089	0.6
89.03913	48.8
90.04248	1.2
91.05470	4.9
93.07037	0.7
99.21860	0.5
103.05466	1.7
105.07034	0.8
106.04177	4.3
115.05452	1.3
115.07039	0.6
116.06235	1.6
117.03374	84.4
117.07018	4.7
118.03690	2.8
119.04961	1.2
121.06461	1.3
124.05180	0.7
126.84180	0.5
131.06882	1.3
131.08580	0.8
133.06505	1.2
134.03632	9.7
134.07283	1.8
135.04436	4.0
135.08014	1.4
144.05730	1.1
145.02840	100.0
146.03143	3.0
149.05975	22.7
150.06277	1.0
151.96883	0.5
153.00465	0.6
162.03102	1.9
162.06734	5.9
163.03883	1.9
177.05478	25.0
177.09096	41.1
178.05782	0.7
178.09439	1.4
186.05406	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15494	0.4
53.03948	0.5
55.01889	0.3
59.14276	0.4
62.01580	0.4
63.02369	1.7
69.03969	2.7
69.04383	1.1
73.17544	0.3
76.44914	0.3
77.03900	0.4
78.04715	3.7
79.05499	0.7
88.50567	0.3
89.03915	50.2
90.04243	1.3
91.05473	3.4
93.07051	0.9
95.04997	0.9
98.98496	0.4
103.05450	2.0
104.73032	0.3
105.07049	0.4
106.04176	3.6
117.03375	83.4
118.03693	3.0
119.04924	0.5
121.06492	0.5
123.09196	0.3
124.05202	0.9
129.04460	0.5
131.06857	0.3
132.04446	0.7
132.08116	0.6
134.03630	10.0
134.04605	0.7
135.04430	4.2
142.06441	0.4
145.02840	100.0
146.03163	3.5
149.05974	26.3
150.06302	0.9
158.06082	0.4
160.07574	4.7
162.03105	1.5
163.03873	1.7
173.40605	0.4
177.05463	22.1
177.08981	3.0
179.15070	0.4
186.05495	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03947	1.1
55.05507	1.3
58.60466	0.4
63.02375	1.7
65.51025	0.4
67.05496	0.8
69.07071	1.4
70.66747	0.9
78.04710	3.2
79.05495	3.1
79.11723	0.4
81.07057	1.9
83.08630	0.9
84.54819	0.4
89.03915	45.9
90.04244	1.1
91.05479	5.7
93.07037	5.5
95.04975	0.9
95.08598	4.3
98.98441	0.6
103.05470	2.0
105.03385	0.7
105.04539	0.4
105.07008	1.0
106.04173	4.9
106.89806	0.4
107.04996	0.8
107.08584	5.5
107.45407	0.5
109.10139	0.9
117.03376	81.7
117.07018	0.9
118.03698	2.0
119.04929	0.8
119.08557	0.7
121.06506	1.6
121.09304	0.6
121.10152	6.8
122.10497	0.4
124.05244	0.5
131.08574	1.8
133.10149	1.0
134.03630	8.9
135.04419	4.7
135.07941	0.4
135.11693	2.0
145.02841	100.0
146.03171	4.1
149.05980	25.2
149.09566	0.5
149.13203	0.6
150.81364	0.5
159.08060	0.5
159.11725	1.3
162.03084	1.1
163.03908	2.0
177.05464	21.2
177.09056	3.0
177.12749	1.6
177.16379	2.9
178.05807	0.9
186.05476	0.9
190.93259	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03938	1.3
53.77960	0.5
55.01857	0.6
55.05509	1.7
63.02382	2.0
67.05494	0.9
69.07058	2.1
69.11251	1.4
69.11661	2.9
77.03928	0.6
78.04701	3.9
79.05499	4.5
80.05823	0.5
81.07041	3.9
82.82040	0.5
82.82536	0.5
83.08609	1.9
83.45311	0.5
89.03916	48.9
90.04256	1.2
91.05481	9.9
92.05811	1.0
93.07046	6.6
94.49915	0.4
95.04992	1.2
95.08603	6.2
97.10158	0.8
98.98465	1.3
102.52126	0.5
103.05483	2.9
105.03380	0.7
105.04497	0.5
105.07021	11.5
106.04182	6.6
106.07358	16.8
107.08591	9.2
109.06478	0.7
109.10142	2.5
115.05469	1.2
116.06246	1.2
117.03376	81.2
117.07027	4.8
118.03706	3.0
119.04950	1.4
119.08573	1.4
121.06517	3.2
121.10133	11.8
122.10471	0.5
124.05206	0.9
129.06982	1.2
131.04930	0.5
131.08556	7.2
133.10132	1.8
134.03630	9.9
134.07237	0.9
135.04416	6.6
135.08015	1.1
135.11693	2.9
137.55469	0.5
144.09326	0.7
145.02841	100.0
145.06509	2.1
146.03160	3.7
149.05975	27.5
149.09633	1.9
149.13254	0.9
150.06377	0.9
158.06027	0.7
159.08063	3.6
159.11702	3.3
162.03079	1.0
162.06776	1.6
163.03902	1.4
177.05473	23.7
177.09113	15.0
177.11011	3.8
177.12543	6.1
177.16370	5.0
178.05904	0.9
178.09360	0.6
186.05527	1.5
193.95267	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.98249	0.6
53.03946	1.6
55.01867	1.1
55.05508	1.1
62.17460	0.6
63.02380	1.5
66.61081	0.5
67.05489	0.8
68.99804	0.6
69.03423	0.6
71.29314	0.6
78.04726	4.9
79.05483	2.6
80.05054	0.6
81.07061	1.7
88.02241	0.6
89.03918	61.3
90.04244	1.7
91.05481	8.8
93.07049	3.7
95.04968	1.9
95.08585	0.7
98.97645	0.6
98.97882	0.6
98.98468	4.7
103.05468	4.7
105.03364	1.2
105.04525	0.8
105.07050	3.4
106.04180	4.4
107.04960	3.2
107.08591	2.0
109.06537	1.0
115.05506	3.3
116.06231	1.5
116.98650	1.3
117.03381	84.5
117.07014	7.2
118.03712	2.3
118.06519	1.7
119.04980	1.5
119.08633	0.6
121.02850	0.6
121.06490	5.4
121.10135	2.0
123.40363	0.5
124.05240	0.9
129.04497	0.8
129.07045	0.7
130.06573	0.7
131.04922	1.6
131.06868	1.4
131.08580	4.4
132.04453	3.9
132.08083	6.1
133.06502	1.5
133.10106	0.7
134.03632	13.9
134.07310	0.9
135.04428	9.7
135.08072	0.9
142.06543	1.7
145.02849	100.0
145.06467	3.4
146.03152	2.9
147.04454	0.9
149.02373	2.4
149.05983	37.8
149.09631	1.8
150.06317	1.3
158.06062	0.8
159.08072	2.0
159.11673	1.7
160.07581	25.5
161.07935	0.8
162.03151	3.5
162.06706	3.7
163.03896	7.3
177.05475	37.2
177.09053	22.7
177.12741	3.7
178.09415	1.0
186.05521	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.091
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
52.15158	0.1
53.03938	0.2
53.83706	0.1
54.99424	0.1
55.01860	0.2
59.36543	0.1
63.02338	0.2
70.65462	0.3
78.04702	0.5
79.05480	0.5
79.40318	0.2
81.07054	0.3
84.18053	0.2
89.03915	6.4
90.04263	0.3
91.05479	4.0
93.07043	0.6
95.04978	0.4
98.98432	0.3
103.05452	1.1
105.07013	1.0
106.04170	0.6
106.07782	0.5
107.04937	0.4
107.08517	0.2
115.05453	3.9
116.06252	3.5
117.03376	10.8
117.07018	12.5
118.03727	0.4
118.07347	0.5
119.04949	1.7
119.08579	0.2
120.05717	0.2
121.06514	1.1
122.14809	0.2
131.04919	0.5
131.06839	0.4
131.08531	0.4
132.08076	0.4
133.06490	3.4
134.03664	1.1
134.07286	4.3
135.04373	0.7
135.08060	2.0
136.08424	0.2
144.05695	2.3
145.02841	12.5
145.06480	2.3
146.03259	0.6
146.07201	0.3
147.04370	0.9
147.08026	0.3
149.04784	0.1
149.05971	4.0
149.09595	0.6
159.08023	0.3
159.11607	0.2
160.07565	1.4
161.05981	1.5
162.06760	13.7
163.03819	0.3
163.07094	0.6
175.07538	0.5
177.05791	3.6
177.09102	100.0
178.05963	0.2
178.09454	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.091
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene
Peak:m/z	Relative Intensity
52.12813	0.2
52.27909	0.2
53.03947	0.2
55.01853	0.3
55.05499	0.3
55.31310	0.2
61.45126	0.2
69.01422	0.9
69.01833	1.6
69.07061	0.5
78.04687	0.3
79.05497	0.7
81.07047	0.4
89.03918	0.7
91.05479	4.9
93.07035	1.4
95.08602	0.9
98.98467	0.5
103.05446	1.0
105.07020	1.4
106.04150	0.7
106.07829	0.6
107.08592	1.7
109.10117	0.3
115.05458	4.1
116.06247	4.0
117.03388	1.0
117.07024	12.8
118.07375	0.5
119.04909	1.6
119.08553	0.5
120.05717	0.2
121.06513	1.6
121.10139	1.6
129.07011	0.3
131.04958	0.2
131.08543	0.9
133.06487	3.3
134.03630	0.2
134.07265	4.3
135.08086	1.7
135.11661	0.4
144.05693	2.1
145.02866	0.9
145.06500	2.0
147.04393	0.7
147.08052	0.7
149.05983	1.9
149.09615	1.0
159.08031	0.5
159.11754	0.3
161.05943	1.6
162.06758	13.5
163.07126	0.6
175.07565	0.5
177.09102	100.0
177.16356	0.9
178.09447	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.2
55.01854	0.2
55.05506	0.6
65.03945	0.2
66.00561	0.1
67.05492	0.6
69.07056	0.8
69.43044	0.9
73.03854	0.1
76.48932	0.2
77.78491	0.1
78.04694	0.3
79.05496	1.6
80.08564	0.1
81.07047	1.1
83.08608	0.4
90.89161	0.1
91.05479	5.4
92.05795	0.3
93.07043	2.6
95.04959	0.3
95.08609	1.5
97.06518	0.1
98.98473	0.2
103.05465	0.7
105.03373	0.2
105.07020	1.7
106.04171	0.4
106.07802	0.7
107.04932	0.4
107.08588	2.7
109.06536	0.3
109.10145	0.5
115.05454	4.0
116.06243	3.6
117.07019	12.9
118.07330	0.4
119.04941	1.9
119.08576	0.6
120.05699	0.3
121.06512	2.3
121.10143	3.5
122.10501	0.2
127.45350	0.2
129.07019	0.3
131.04924	0.2
131.08533	0.9
133.06491	3.7
133.10150	0.2
134.07283	4.5
135.08090	1.6
135.11708	1.2
144.05692	2.4
145.02884	0.3
145.06502	2.5
146.07213	0.5
147.04402	0.8
147.08028	0.6
148.08763	0.2
149.05971	0.7
149.09621	1.3
149.13287	0.4
159.08044	0.6
159.11693	0.4
161.05948	1.7
162.06763	15.0
163.07112	0.6
174.93553	0.2
175.07578	0.9
177.09103	100.0
177.16348	1.9
178.07886	0.2
178.09453	4.7
199.93288	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0911
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene
Peak:m/z	Relative Intensity
51.02386	0.2
53.03942	0.5
55.01884	0.3
55.05513	2.2
57.07072	0.4
65.03928	0.4
67.05503	1.5
69.07073	3.6
71.29971	0.3
77.03882	0.3
78.04707	0.7
79.05491	4.0
81.07053	4.3
83.08627	1.9
89.03401	0.4
89.03914	4.7
91.05476	7.7
92.05792	0.3
93.06465	0.4
93.07042	7.9
95.04970	0.8
95.08604	6.3
95.73097	0.2
97.06532	0.2
97.10151	0.7
98.98487	0.4
103.05450	1.1
105.03363	0.3
105.07027	4.1
106.04159	0.9
106.07778	0.6
107.04950	0.7
107.08595	9.7
108.08910	0.3
109.06516	0.8
109.10159	2.1
115.05450	4.8
116.06252	3.9
117.03383	8.2
117.07016	14.3
118.07386	0.6
119.04926	1.9
119.08609	1.4
120.05818	0.3
121.06515	2.9
121.10139	11.4
123.08066	0.3
129.07022	0.6
131.04909	0.3
131.08577	2.4
133.06479	4.5
133.10126	1.2
134.03618	1.2
134.07277	4.2
135.04416	0.7
135.08060	2.4
135.11699	3.3
141.21043	0.3
144.04636	0.4
144.05672	2.9
144.06602	0.3
144.09328	0.5
145.02837	9.7
145.06517	2.4
146.03189	0.5
146.07271	0.4
147.04414	1.0
147.08017	0.4
149.06000	2.9
149.09651	1.4
149.13286	1.6
159.08064	0.7
159.11739	1.9
161.05936	2.0
162.06761	16.2
163.03893	0.4
163.07114	0.9
175.07556	0.7
177.05528	3.7
177.09105	100.0
177.16379	7.6
178.09450	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0911
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
51.02383	0.3
53.03941	0.7
55.01853	0.9
55.05514	1.4
63.02370	0.2
65.03934	0.8
65.40758	0.2
67.05499	1.0
69.03424	0.6
69.07063	1.5
69.33008	1.6
77.03933	0.3
78.04704	1.3
79.05483	2.7
81.03417	0.3
81.07057	2.2
83.05006	0.3
83.08611	0.8
88.02212	0.4
89.03916	8.3
90.04252	0.2
91.05477	10.3
93.07040	5.1
95.04951	1.1
95.08608	3.5
97.10146	0.2
98.97575	0.2
98.98484	1.6
103.05457	2.7
105.03342	0.3
105.04541	0.4
105.07032	3.4
106.04163	2.1
106.07845	0.4
107.04955	4.2
107.08597	5.0
109.06520	0.7
109.10152	0.7
115.05454	5.2
116.06255	3.3
117.03381	14.1
117.07020	18.9
118.03703	0.3
118.06558	0.5
118.07347	0.8
119.04954	2.3
119.08569	2.7
120.08891	0.2
121.06511	8.0
121.10137	4.9
122.06788	0.5
124.05115	0.3
128.06190	0.2
129.06992	0.9
131.04938	1.5
131.08559	3.4
132.04431	0.5
132.08075	0.4
133.06494	3.8
133.10114	0.8
133.21266	0.2
134.03627	3.2
134.07281	4.3
134.99638	0.2
135.04443	1.7
135.08060	2.1
135.11678	2.0
144.05692	2.5
144.09351	0.5
145.02849	14.8
145.06500	5.5
146.03201	0.7
146.07172	0.2
147.04417	1.2
147.08105	1.0
149.02341	0.8
149.05980	17.2
149.09613	3.8
149.13292	1.0
150.06331	0.5
150.09944	0.3
159.04416	0.5
159.08058	0.9
159.11700	2.0
160.07562	2.4
161.05960	1.4
162.03139	4.8
162.06760	14.9
163.03857	0.8
163.07130	0.8
175.07561	0.3
176.08394	0.3
177.05554	15.2
177.09108	100.0
177.16357	2.9
178.06049	1.1
178.09448	5.5
186.05351	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
52.43239	1.2
53.03952	6.6
55.01864	4.9
55.05513	27.1
55.92180	1.6
57.03440	7.0
57.07064	3.0
64.85872	1.3
65.03939	2.8
67.05505	18.8
69.03417	8.6
69.07069	31.0
70.45638	3.9
71.05000	7.4
77.03938	2.2
79.05492	58.1
79.64430	1.3
81.03392	1.5
81.07057	43.6
82.07402	1.6
83.04978	8.5
83.08620	9.5
91.05478	56.8
93.07040	100.0
94.07365	3.0
95.04959	9.8
95.08611	18.2
96.08958	1.3
97.06513	6.6
98.98466	3.6
103.05443	4.7
105.04499	2.4
105.07034	49.2
106.04176	3.9
107.04951	14.8
107.08591	66.5
108.08950	1.4
109.06519	13.2
109.10131	3.8
115.05456	6.3
116.06224	1.4
117.03384	2.9
117.07019	34.5
119.08575	21.1
121.06509	25.8
121.10138	24.6
122.07284	1.8
123.08024	2.7
129.07007	8.5
130.07823	6.5
131.07570	2.0
131.08569	43.1
133.06499	12.6
133.10121	12.6
135.08051	24.4
135.11690	11.0
144.09361	12.2
145.02872	1.8
146.07292	1.5
147.08005	3.3
148.08781	1.9
149.05998	3.2
149.09608	5.4
149.13240	19.7
151.07541	3.1
157.10124	2.3
159.11700	41.5
160.11966	1.9
163.07504	2.0
177.05437	2.3
177.09206	10.3
177.12744	81.7
177.16359	5.9
178.09883	2.6
178.12047	8.8
188.41069	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58034	0.8
53.03936	2.1
55.01877	6.0
55.05505	4.2
57.03436	1.5
65.11610	0.7
66.20415	0.8
66.33431	0.7
67.05502	18.7
68.12468	0.8
68.98296	0.7
69.03421	1.6
69.07070	8.3
71.05016	1.2
71.30671	1.2
73.64597	1.0
75.39501	0.8
77.03944	0.8
79.05492	33.4
79.76576	0.6
80.92032	0.8
81.03422	4.9
81.07056	33.9
82.07370	1.1
83.04976	3.5
83.08605	3.1
85.06523	1.4
89.03913	1.4
91.05482	34.5
93.07043	48.3
94.07384	0.9
95.04969	10.4
95.08613	8.0
97.06525	8.9
98.98474	2.6
103.05469	1.2
105.04505	1.1
105.07030	31.4
107.04950	3.6
107.08592	23.1
109.06517	6.2
109.10152	1.3
111.08076	3.2
115.05440	1.6
116.06210	1.4
117.03369	1.4
117.07018	23.4
118.07340	0.9
119.08577	8.5
121.06506	5.6
121.09300	1.2
121.10140	14.3
122.10480	0.7
123.08021	0.9
129.06995	3.2
130.07822	1.2
131.08563	25.3
132.08913	1.5
133.06491	3.4
133.10129	28.7
134.07286	1.2
134.10469	1.0
135.08054	12.1
135.11697	11.1
144.09343	2.1
145.02853	2.2
149.02286	1.2
149.05943	1.2
149.09621	5.9
149.13260	15.3
151.07538	1.0
159.08075	1.6
159.11691	43.0
160.11989	2.5
177.05420	1.9
177.09105	3.1
177.12747	100.0
178.12024	1.7
178.13307	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	7-Methoxy-1-methyltetralin
Peak:m/z	Relative Intensity
53.03950	0.8
55.01867	0.1
56.96565	0.1
59.11553	0.1
67.89934	0.1
69.07061	0.6
70.87958	0.2
77.03909	0.2
78.04752	0.2
79.05491	0.2
81.07056	0.1
89.03917	0.3
90.11600	0.1
91.05479	2.9
92.05820	0.1
93.07041	2.6
94.07410	0.1
95.04974	0.8
95.08632	0.2
98.98495	0.2
103.05475	0.5
105.04523	0.4
105.07031	0.2
107.05022	0.1
107.08592	0.4
117.03384	0.4
117.06966	0.2
119.08587	0.1
121.06508	100.0
122.06838	4.0
123.55524	0.1
135.08037	0.6
135.11659	0.1
135.92470	0.1
145.02859	0.4
147.07904	0.1
149.02383	0.1
149.05963	0.3
159.11784	0.1
177.05434	0.2
177.06752	0.1
177.12749	5.2
178.13052	0.3
183.52946	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.0
53.92654	0.8
55.05511	12.0
57.07069	1.0
65.03933	1.0
67.05505	5.8
69.07066	25.5
70.60960	2.1
71.17896	0.7
79.05489	13.2
81.06650	1.2
81.07062	14.6
83.08618	12.5
89.03918	6.0
91.05480	11.1
93.07041	33.2
93.51568	0.9
94.07362	1.2
95.04976	1.7
95.08601	38.1
97.10164	3.1
98.98430	0.9
103.05450	0.9
105.07022	10.2
107.04930	1.0
107.08593	61.2
108.08924	1.7
109.06490	0.9
109.10151	12.1
117.03374	7.6
117.07002	2.9
119.08563	3.6
121.06480	1.9
121.10140	100.0
122.10493	2.5
131.08649	2.0
133.10106	2.4
134.03635	1.2
135.04362	1.1
135.11691	13.6
136.11983	0.9
145.02838	9.8
145.06464	2.0
149.05962	8.0
149.13245	4.9
159.11642	1.8
162.03110	1.2
177.05463	5.8
177.09120	6.9
177.12753	3.7
177.16377	49.5
178.16698	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.05508	10.6
57.07059	1.1
58.72750	0.8
63.86500	0.7
64.31061	0.7
67.05501	6.2
68.73192	0.8
69.06690	1.3
69.07068	25.2
69.37814	5.1
69.38222	1.6
69.86152	0.6
78.04704	1.0
79.05064	1.2
79.05492	14.3
80.05812	0.9
81.07054	15.1
83.08613	15.2
84.08904	1.1
89.03911	15.8
90.04288	1.0
91.05482	11.0
93.07044	35.3
94.07404	0.9
95.04925	1.5
95.08604	39.3
97.10178	3.2
103.05486	1.1
105.07034	10.1
106.04160	2.6
107.08591	67.7
108.08913	1.8
109.06535	1.1
109.10151	12.2
115.05448	0.9
117.03372	30.0
117.07000	1.5
118.03715	1.2
119.08636	2.0
121.10139	100.0
122.10428	3.7
123.08050	1.0
131.08574	2.8
132.08058	1.4
133.10129	1.7
134.03621	3.2
135.04391	1.7
135.11679	18.6
136.12050	0.8
145.02844	32.6
146.03181	1.6
149.05968	8.9
149.09641	0.9
149.13271	4.7
159.08028	0.9
159.11665	1.2
160.07562	4.2
177.05495	8.4
177.09116	3.0
177.12808	2.5
177.16385	53.0
178.16705	3.7
191.78012	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03944	1.5
55.05509	13.9
57.07071	1.9
62.23026	0.6
65.03946	0.9
67.05501	7.8
69.07066	29.5
69.33069	3.6
70.07352	0.7
71.08629	0.7
75.21955	0.6
77.03963	0.8
79.05062	1.1
79.05492	16.1
81.07055	24.3
83.08610	14.0
87.43717	0.7
88.02204	1.0
89.03924	2.0
91.05475	12.6
93.07040	41.7
94.07359	1.6
95.04977	1.6
95.08604	38.2
97.10165	3.2
98.98461	1.7
104.05019	0.7
105.07025	9.3
106.04152	0.7
106.07829	0.7
107.04922	0.7
107.08591	68.6
108.08916	2.1
109.10155	14.7
117.03379	3.7
117.07013	2.8
119.06094	1.0
119.08577	3.8
121.06495	1.5
121.10137	100.0
122.10493	2.8
122.16000	0.6
131.08577	2.6
133.10133	2.6
135.08078	1.3
135.11690	17.7
144.09309	0.9
145.02853	3.4
149.06021	1.1
149.13257	5.2
159.11670	2.1
177.05360	1.3
177.09062	1.1
177.12805	4.7
177.16386	42.5
178.04848	0.9
178.16685	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03949	1.6
53.59993	0.8
55.05511	14.0
56.75639	0.7
57.07077	1.8
63.79523	0.6
65.03938	1.1
67.05506	6.7
69.07068	26.6
70.66569	1.9
79.05492	16.5
81.07061	15.9
83.08622	17.7
89.03925	1.4
91.05473	14.0
93.07044	42.0
94.07367	0.9
95.04968	1.1
95.08605	37.7
96.08966	1.7
97.10167	3.5
103.05477	1.4
105.07027	11.9
106.04180	1.5
107.08595	79.2
108.08926	2.4
109.06504	1.5
109.10155	14.7
117.03346	2.3
117.07003	2.2
119.08598	3.0
121.06538	1.6
121.10143	100.0
122.10425	5.0
129.96030	0.9
131.08589	2.2
133.07631	1.1
133.10138	2.1
135.08012	1.3
135.11691	22.2
136.12039	1.6
145.02858	2.6
145.06497	0.9
149.06007	7.8
149.09575	0.9
149.13286	5.7
159.11684	1.7
160.07568	1.4
177.05417	3.7
177.09171	4.4
177.12932	4.6
177.16386	56.7
178.16687	2.7
188.81868	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
50.91253	0.5
51.02383	0.6
52.83329	0.4
53.03942	1.6
55.05513	11.8
55.98498	0.5
57.07074	1.9
64.46297	0.4
67.05508	7.0
69.03403	0.5
69.07069	28.2
70.08035	1.0
71.08611	0.5
79.05493	14.5
81.07060	15.9
83.08622	14.6
89.03923	0.6
91.05476	11.4
93.07045	35.5
94.07381	1.2
95.04970	1.5
95.08608	40.3
96.08943	1.1
97.10145	2.1
98.22760	0.7
103.05472	1.4
105.07024	11.5
106.04166	1.2
107.08595	71.8
108.08913	1.8
109.06569	0.7
109.10156	13.7
115.05469	0.6
116.06268	0.7
117.07026	1.4
119.06058	1.1
119.08562	2.7
121.06555	2.6
121.10142	100.0
122.10429	3.9
123.08066	0.9
131.08549	4.9
132.08878	0.5
133.07668	0.8
133.10100	2.0
134.03635	1.2
135.08057	0.7
135.11696	17.6
136.12024	1.2
145.02805	1.0
149.05972	1.4
149.09608	0.7
149.13254	6.5
159.08011	0.8
159.11699	1.4
175.14836	0.6
177.05469	2.1
177.09154	3.7
177.12845	5.0
177.16386	50.7
178.16692	1.9
199.34492	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03943	3.0
55.01872	0.8
55.05511	14.1
57.07074	1.7
62.25361	0.8
62.52729	0.6
65.03940	1.9
67.05505	9.2
68.99811	0.6
69.03418	1.9
69.07066	22.4
71.29996	0.9
78.04705	1.4
79.05488	18.8
81.07056	18.7
83.08132	1.4
83.08611	18.4
89.03906	1.1
91.05475	56.8
92.05816	2.0
93.07038	39.8
95.04974	3.5
95.08601	36.2
95.09222	1.0
96.08961	0.7
97.06541	1.5
97.10155	2.6
98.98444	1.3
103.05480	4.6
105.07027	37.8
106.04160	3.7
106.07334	1.6
107.04948	3.2
107.08588	65.9
108.08942	1.3
109.06507	2.4
109.10146	12.6
110.10489	0.7
115.05447	6.2
116.06227	6.2
117.03364	2.6
117.07025	12.2
118.07368	0.7
119.04970	0.8
119.06064	1.1
119.08575	5.7
120.05774	0.8
121.06509	6.9
121.10135	100.0
122.10415	4.0
123.08049	1.9
128.06271	0.8
129.07013	5.8
131.08559	71.6
132.08847	4.5
133.06505	1.7
133.10112	12.5
133.11052	1.0
134.03662	1.8
134.07274	2.8
135.04407	12.0
135.08031	3.2
135.11694	27.9
136.04744	1.0
136.12032	1.3
144.05679	1.8
144.09355	1.1
145.02826	1.6
145.06482	5.2
147.08078	1.1
149.05994	5.2
149.09610	5.8
149.13239	15.7
159.08026	8.6
159.11697	5.1
162.03177	1.4
162.06735	7.2
162.10355	2.5
177.05591	6.8
177.09102	73.4
177.12718	21.0
177.16379	51.8
178.09476	3.5
178.13173	0.7
178.16708	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
50.24987	0.6
51.70982	0.5
53.03943	1.3
55.01871	1.1
55.05512	16.4
57.07082	3.4
65.03942	1.2
67.05177	0.9
67.05511	12.5
69.03436	1.3
69.07069	26.9
71.05003	0.9
71.28936	0.9
78.04688	0.7
79.05492	20.3
80.11549	0.5
81.03429	0.7
81.07058	25.6
82.07368	0.7
83.04970	0.6
83.08620	16.5
85.06541	10.5
86.37684	0.5
89.03921	1.5
91.05477	18.0
92.05849	0.7
93.07047	48.5
94.07390	1.4
95.04960	2.2
95.08609	46.9
96.08939	1.6
97.06520	1.0
97.10183	3.9
98.98483	2.2
103.05468	2.5
105.07035	21.3
106.04188	2.0
106.07355	0.7
107.04958	1.9
107.08596	71.3
108.08929	1.4
109.06534	1.8
109.10159	16.6
116.06271	1.0
117.03397	2.4
117.07025	6.5
119.06068	1.5
119.07767	1.2
119.08583	15.6
121.06543	5.4
121.10146	100.0
122.10442	3.2
123.08065	0.9
129.06999	2.7
130.07784	1.0
131.04977	0.6
131.08568	11.8
132.08905	0.8
133.06569	0.9
133.07602	0.7
133.10141	4.2
135.04398	0.7
135.08055	2.6
135.11696	23.9
136.11966	0.7
141.48885	0.5
144.09323	5.5
145.02859	1.8
148.12628	0.6
149.05962	2.2
149.09624	1.8
149.13271	7.5
157.10118	0.9
159.08133	1.4
159.11687	34.0
160.12022	1.7
162.10332	0.8
163.02214	0.6
177.05484	2.6
177.09137	6.4
177.12782	18.2
177.16383	52.9
178.04852	0.6
178.13004	0.8
178.16766	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.40217	1.0
53.03943	1.9
55.05511	20.0
57.07053	1.2
65.03922	1.2
67.05188	1.0
67.05508	14.0
69.07068	25.6
69.29650	6.3
72.33711	1.1
77.56747	1.0
79.05077	1.7
79.05500	24.1
80.05830	1.0
81.07059	46.9
83.08623	14.6
91.05491	11.0
93.07048	59.4
94.07356	1.2
95.04948	1.4
95.08609	81.8
96.08916	2.4
96.73949	0.9
97.10168	10.2
98.22591	1.9
105.07034	8.5
107.08596	71.2
108.08913	2.8
109.06506	1.0
109.10159	20.2
112.38686	0.9
119.08558	3.6
121.06472	1.2
121.10145	100.0
122.10480	4.3
131.08553	1.2
135.11696	19.1
136.12025	1.2
142.13329	1.1
149.13271	5.7
168.06299	1.0
177.12837	3.1
177.16389	76.6
178.16766	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.02369	0.8
53.03941	2.1
55.01862	0.7
55.05507	12.0
57.07067	2.6
60.70040	0.5
63.15554	0.6
64.97890	0.5
65.03937	1.4
65.22716	0.6
67.05503	8.5
69.03413	0.8
69.07067	25.8
69.08235	4.8
71.08627	0.8
77.03892	0.7
78.04725	1.1
79.05489	18.3
81.07052	16.4
83.04958	0.5
83.08616	12.9
86.14496	0.5
89.03895	1.4
91.05478	16.1
93.07039	41.3
94.07368	1.1
95.04971	2.0
95.08604	41.5
96.08926	0.9
97.10168	2.3
98.98476	1.3
103.05464	1.7
105.04554	0.8
105.07022	13.7
105.07673	1.2
106.04163	2.8
107.05013	0.7
107.08590	67.0
108.08920	2.6
109.06532	1.4
109.10149	15.1
115.05446	1.0
116.06191	0.7
117.03373	2.3
117.07013	2.4
119.08556	3.5
121.06509	4.4
121.10136	100.0
122.10446	3.6
122.25713	0.5
123.08054	1.1
131.04932	0.8
131.08557	7.0
133.10101	2.1
134.03636	0.8
135.04411	1.2
135.08051	1.8
135.10655	1.1
135.11682	20.2
136.12029	0.7
145.02914	1.0
145.06468	0.8
149.06003	2.8
149.09634	1.2
149.13249	6.9
159.08008	0.9
159.11673	3.8
162.03293	0.6
162.10414	1.3
175.14748	0.6
177.05467	2.8
177.09111	7.1
177.12791	12.5
177.16377	52.4
178.09441	0.6
178.16728	2.5
198.18251	0.6
199.67691	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.05509	7.5
57.07081	1.0
65.03929	0.9
67.05504	11.6
67.85812	0.4
68.01725	0.4
69.07069	7.9
79.05489	19.4
81.07056	14.2
82.07402	0.6
83.08620	6.0
88.02206	1.0
89.03918	2.2
91.05481	5.2
93.07044	21.6
94.07396	1.1
95.04958	0.8
95.08607	100.0
96.08939	2.8
97.10159	1.4
98.23425	0.9
98.98447	0.8
105.04530	0.5
105.07034	4.6
107.08595	57.6
108.08930	1.8
109.06518	0.7
109.10155	8.6
117.03376	2.5
117.06983	0.8
119.06013	0.7
119.08563	2.2
121.06491	2.2
121.10145	30.4
122.10505	1.0
123.08166	0.5
123.11689	0.6
131.08583	0.9
133.10158	0.7
135.08081	0.8
135.11690	8.2
145.02856	3.7
149.05992	0.7
149.13239	2.0
159.11691	2.0
177.05379	0.9
177.06703	0.7
177.12764	6.9
177.16376	19.2
178.05086	0.7
178.06992	0.6
178.08546	0.7
178.16798	0.6
186.16263	0.6
198.48315	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03937	2.3
55.05508	21.0
57.07076	2.3
65.03943	1.9
67.05504	13.8
69.04983	1.6
69.05375	9.5
69.06738	1.4
69.07074	25.2
73.22122	0.9
79.05495	27.7
79.05959	1.4
80.33612	1.0
81.07056	48.2
83.08616	16.2
89.03912	1.7
91.05466	13.1
93.07045	54.0
94.07374	1.2
95.04971	3.0
95.08606	82.1
96.08940	2.4
97.10176	7.6
98.23354	2.4
98.98481	1.7
99.02700	0.9
105.07021	10.4
106.04108	1.2
107.04909	1.0
107.08595	89.0
108.08941	2.9
109.06499	2.9
109.10160	18.6
117.03388	3.3
117.07027	2.4
119.06059	1.0
119.08562	2.8
121.06485	4.0
121.10143	100.0
122.10460	3.6
131.08565	3.7
133.10114	1.4
134.03639	1.0
135.08029	3.2
135.11702	20.4
144.09369	1.3
145.02853	3.1
149.13255	6.7
159.11696	2.6
162.10416	1.3
162.24417	1.0
177.09079	2.4
177.12782	16.0
177.16389	59.1
178.13179	1.4
178.16736	3.9
194.21384	1.1
194.32497	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.11779	0.5
53.03934	1.0
55.05510	9.5
57.07049	1.0
58.52934	0.5
61.94820	0.6
63.69436	0.5
65.03927	1.1
67.05506	11.0
69.06723	1.0
69.07066	12.5
69.27215	2.4
69.27623	0.9
79.05491	22.3
81.07055	18.7
83.05011	1.0
83.08613	6.9
87.45701	0.6
88.02212	1.6
91.05473	8.5
93.07044	23.7
94.07381	0.5
95.04969	1.6
95.08604	100.0
96.08947	3.0
97.06561	0.7
97.10167	1.8
98.98501	0.8
105.07033	6.3
107.04953	2.7
107.08592	64.9
108.08923	1.6
109.06532	2.0
109.10146	6.7
117.06989	1.3
119.06038	0.8
119.08610	3.0
121.06510	8.0
121.10142	35.5
122.10493	1.6
131.08568	2.9
133.10123	1.8
135.08057	2.1
135.11702	9.5
144.09338	0.7
145.02808	1.2
149.09705	0.8
149.13283	2.6
159.11679	3.7
163.11198	1.3
177.05318	0.6
177.09111	1.2
177.12764	12.7
177.16371	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20709	0.5
69.05080	4.3
73.69321	0.5
77.77662	0.5
82.99849	1.5
89.31444	0.6
89.80590	0.5
95.04964	0.6
98.23396	1.1
100.02470	2.9
101.00880	22.7
102.00940	1.1
105.07041	0.9
115.02437	0.8
118.03520	1.1
119.01921	100.0
120.02007	6.0
133.03462	7.9
133.10135	0.7
137.02956	32.3
138.03058	1.5
142.03517	1.1
143.01860	0.7
143.03661	0.8
151.04524	2.9
156.05031	3.4
156.97478	0.5
160.04591	0.8
161.02963	18.4
161.04645	1.9
161.05923	0.6
161.09758	0.5
162.03123	1.2
174.06119	1.3
174.98405	0.7
179.00807	2.9
179.04025	27.0
179.05492	1.0
179.10561	0.5
180.04137	1.2
184.04536	0.7
197.06497	0.6
197.99059	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.04
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37365	0.6
58.99870	2.4
69.62569	1.7
69.62963	1.6
71.87112	0.6
75.87801	0.6
81.51578	0.7
82.01447	33.3
82.99850	2.6
96.36446	0.5
97.06548	0.8
97.39983	0.5
98.23291	0.8
100.02484	88.4
101.00879	28.5
102.00952	1.6
109.06506	1.1
115.02415	1.1
118.03519	37.7
119.01923	100.0
120.02018	4.8
123.04051	0.8
133.03465	7.2
136.04538	1.7
137.02953	30.3
138.03029	2.0
142.03488	1.1
143.01918	1.3
143.03712	1.1
148.64725	0.6
151.04506	2.7
156.05064	3.6
156.96483	2.9
161.01639	1.3
161.02968	18.4
161.04588	2.5
162.03114	1.1
174.06126	1.5
174.97571	4.2
179.00752	3.4
179.02402	1.4
179.04018	27.3
179.98083	16.4
179.99487	1.0
180.04169	2.3
197.99173	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.02368	0.3
51.56166	0.3
55.01868	1.3
55.05503	0.3
58.03823	0.3
61.02920	0.4
65.03946	2.4
67.05516	0.5
68.99783	0.6
69.03430	0.9
69.12924	0.6
69.13315	2.1
70.26598	0.3
73.02914	0.6
77.03973	0.3
79.05490	0.6
81.03413	0.5
81.07064	0.4
82.01427	0.5
82.99792	0.3
85.02910	3.0
91.05486	40.8
92.05826	1.0
93.07064	0.3
95.04966	1.2
97.02897	1.1
97.06546	0.6
100.02522	2.2
101.00890	1.8
103.05485	0.5
105.03415	0.5
105.07035	1.0
107.04976	0.6
108.05756	0.7
108.29266	0.3
109.06522	0.8
113.00881	0.3
118.03496	0.7
118.04226	0.4
119.01938	8.4
119.04948	86.2
119.99213	0.3
120.02011	0.7
120.05275	2.9
121.05114	0.6
122.03628	0.5
123.04436	0.9
123.08071	0.4
124.07515	0.4
127.03901	0.4
130.06567	0.4
131.01915	1.2
132.08102	1.0
133.02754	2.0
133.06497	1.0
133.10146	0.4
134.06020	0.6
135.03447	0.4
135.04408	0.6
136.05211	1.3
137.03036	2.1
137.05983	10.1
138.03020	0.3
138.96426	0.6
146.03578	0.4
147.04414	100.0
148.04744	4.2
151.07542	3.4
152.07050	0.4
156.97491	4.1
161.02890	1.2
161.05989	1.3
162.05528	0.6
164.04723	2.8
165.05473	0.3
174.98567	2.8
179.03651	2.6
179.07028	21.4
179.14171	0.4
179.99135	2.5
180.07314	1.0
197.02960	0.4
198.00107	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	4-Hydroxy-3-methoxycinnamaldehyde
Peak:m/z	Relative Intensity
50.03308	0.2
55.01872	1.0
61.86203	0.2
65.03939	1.1
67.05472	0.3
69.03065	2.3
69.07101	0.2
79.05495	0.4
91.05483	23.3
92.05820	0.8
95.04967	0.6
105.07042	1.4
107.08631	0.3
108.05762	0.3
109.06499	0.3
115.05448	0.3
118.04160	0.4
119.04945	71.8
120.05270	2.9
121.10144	0.2
123.04419	1.4
123.08089	0.5
133.06516	1.2
133.10124	0.3
136.05199	0.6
137.05962	1.0
146.03593	0.5
147.04410	100.0
148.04724	4.3
151.03903	0.2
151.07562	1.3
153.66888	0.2
161.05975	1.7
161.09479	0.3
164.04749	0.5
165.05492	0.2
179.07036	7.0
188.07112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
55.01866	1.2
65.03941	3.4
67.05502	1.1
69.03423	0.7
69.14347	3.4
76.91428	0.4
79.05514	1.1
80.05013	0.3
81.07078	0.5
84.08156	0.4
85.02900	2.0
86.04288	0.3
89.03905	0.6
91.05483	53.5
92.05821	1.5
93.07044	0.5
94.04206	0.5
95.01373	0.4
95.04958	1.8
95.08607	0.5
97.02876	0.6
97.06515	0.6
100.02482	0.7
101.00880	0.8
103.05483	0.6
105.03391	1.2
105.07030	1.7
107.04960	1.1
108.05735	0.6
109.06507	0.6
113.64113	0.4
117.03431	0.4
117.07025	0.4
119.02028	2.1
119.04945	96.9
120.04455	0.6
120.05257	3.9
122.03659	1.0
123.04459	2.4
123.08091	0.7
127.03912	0.7
130.06589	0.5
132.08099	0.6
133.02835	3.4
133.06471	1.9
135.04451	1.0
136.05196	1.6
137.02991	0.5
137.05983	13.5
138.06313	0.5
146.03621	0.9
147.04411	100.0
148.04741	3.5
150.06693	0.4
151.03886	0.9
151.07553	4.4
156.97469	1.3
161.02632	0.5
161.05952	2.1
162.05443	0.5
162.08191	0.5
164.04713	4.1
174.98518	0.9
179.03442	4.6
179.07033	26.6
179.10434	0.7
179.14290	0.4
179.99153	0.8
180.07420	0.8
180.08830	0.5
198.00131	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1068
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
51.02390	0.6
53.03949	1.8
55.01879	3.6
55.05515	5.6
56.08725	0.4
56.75728	0.5
57.03442	1.6
57.07082	0.7
59.05004	0.6
65.03941	1.9
67.05506	7.4
69.03432	4.2
69.07066	1.8
69.59502	1.3
69.59903	1.3
71.04997	1.5
73.02919	0.5
77.03915	0.7
79.05498	12.9
79.05962	0.7
81.03419	1.0
81.07059	20.0
83.01374	0.5
83.04975	1.2
85.02909	0.6
85.06549	0.9
91.05483	41.7
92.05801	1.3
93.07050	20.0
94.07352	0.8
95.04972	6.5
95.08614	12.2
97.02870	1.0
97.06535	1.8
98.22609	0.6
99.04449	0.8
103.05473	2.3
105.03424	0.6
105.04506	1.4
105.07032	68.7
106.07375	1.7
107.04958	3.6
107.08592	15.6
109.06524	7.1
109.10159	5.8
115.05453	1.6
115.98567	0.5
116.02245	0.5
117.07032	2.2
118.07806	1.7
119.04946	68.5
119.08578	18.6
120.05292	2.2
120.09010	0.6
121.06551	2.8
121.10134	3.9
123.04414	5.0
123.08079	11.4
123.11703	3.5
125.06010	1.1
127.07576	1.3
128.06235	1.2
131.08572	4.0
133.06499	2.3
133.10130	84.5
134.10399	2.6
135.08080	1.6
135.11703	3.8
135.48389	0.5
136.05266	0.6
137.05980	15.0
137.09616	6.4
137.13252	0.7
143.08594	2.0
146.07275	1.7
147.04411	100.0
148.04730	4.0
151.03929	1.1
151.07556	3.2
151.11180	6.2
161.05975	1.2
161.09619	13.9
161.13278	3.7
162.05528	1.1
162.10002	0.7
164.04678	0.8
175.20851	0.5
179.03391	4.5
179.07076	8.2
179.08487	0.9
179.10709	11.7
179.14331	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1067
Annotation	4-(1,1-Dimethyl-2-propenyl)-1,3-benzenediol
Peak:m/z	Relative Intensity
53.03935	1.1
55.01862	3.1
55.05502	1.5
57.03415	0.8
58.31306	0.6
64.83504	0.5
65.03925	1.2
67.05500	7.4
69.03428	43.4
69.07063	0.9
69.71634	2.4
70.03772	0.7
71.05000	4.5
77.03919	0.8
79.05489	2.8
81.07052	9.3
83.04980	1.1
85.06516	1.2
91.05477	11.9
92.05808	0.6
93.07040	7.5
95.04965	22.8
95.08594	3.7
97.06522	1.8
103.05473	1.1
105.07032	20.6
106.07375	0.6
107.04961	1.6
107.08590	12.5
109.06519	12.8
109.10151	6.3
115.05428	2.0
117.07014	3.8
119.04938	5.7
119.08577	25.8
120.08881	1.2
121.06502	5.9
121.10125	1.1
123.04460	2.8
123.08057	3.4
123.11673	3.2
128.06250	3.0
131.08554	0.7
131.65300	0.6
133.06479	2.5
133.10130	18.0
135.08051	27.2
137.05949	1.5
137.09618	7.1
143.08585	5.9
146.07263	3.9
147.04398	6.3
148.04784	0.7
151.07492	1.4
151.11194	9.0
152.11520	0.6
160.36458	0.6
161.05960	1.3
161.09624	17.4
161.13255	1.1
163.07547	1.4
164.08403	0.8
165.09102	0.5
177.09120	1.8
179.10664	100.0
179.14120	2.1
180.10985	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1066
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03949	1.4
55.01870	13.1
55.02124	1.0
55.05508	4.9
55.37025	0.6
57.03421	1.0
59.04983	0.6
65.03943	1.6
67.05502	4.5
69.03428	5.1
69.07063	1.0
70.32170	1.5
77.63574	0.5
79.05497	11.4
81.03414	0.7
81.07056	40.4
81.58865	0.5
82.07370	0.8
83.04964	1.9
89.03905	0.6
91.05481	13.9
92.05785	0.7
93.07039	8.7
95.04963	5.5
95.08615	2.7
97.06573	0.7
100.50184	0.5
103.05462	1.4
105.03381	3.9
105.07030	27.4
107.04897	0.6
107.08604	7.8
109.05771	1.1
109.06515	17.5
109.10161	9.4
110.06847	0.6
111.04437	2.2
115.05449	1.1
117.06993	1.7
118.07809	1.0
119.04916	3.4
119.08581	8.3
121.06493	3.6
121.10143	1.8
123.04431	4.3
123.08092	2.3
123.11701	2.2
125.05989	2.0
128.06213	2.0
129.06984	0.6
131.08588	2.9
133.02878	1.0
133.06519	1.8
133.10126	28.7
135.08055	2.5
135.11737	0.9
136.05142	0.6
137.05974	100.0
137.09602	12.3
138.06291	2.5
143.08543	3.9
146.07256	2.0
147.04399	3.4
151.03925	1.0
151.07539	2.4
151.11209	2.0
161.05940	1.0
161.09622	18.4
161.13260	2.0
162.09967	0.7
179.03377	2.2
179.07126	3.3
179.10669	21.0
179.14281	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1067
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03940	3.1
55.01874	3.1
55.05515	5.0
57.03430	2.0
57.07120	0.5
57.64032	0.5
59.04979	0.9
59.65292	0.5
65.03949	1.3
66.80512	0.5
67.05500	6.6
69.03435	5.3
69.07059	1.5
69.45782	2.1
69.46189	1.0
71.01367	0.6
71.04993	1.4
73.02907	1.8
77.03905	1.0
79.05491	11.3
80.05799	0.5
81.03423	1.4
81.07056	17.2
83.04982	0.7
85.02881	1.1
91.05481	26.9
91.13205	0.5
92.05807	1.0
93.07044	25.6
94.07323	0.7
95.04972	8.0
95.08604	14.2
97.02880	2.5
97.06526	1.3
99.04442	1.0
99.94477	0.5
101.04678	0.6
103.05481	1.9
105.07030	85.1
106.07333	2.9
107.04972	0.8
107.08594	15.2
108.08907	0.5
109.06522	6.1
109.10165	4.3
115.03945	0.5
115.05479	1.5
117.07000	2.7
118.07792	1.5
119.04945	5.1
119.08582	12.7
121.06509	3.2
121.10148	2.2
123.04484	2.8
123.08069	13.2
123.08943	1.0
123.11686	5.7
125.02348	0.8
127.07548	0.9
128.06236	1.4
131.08565	5.9
132.05710	0.6
133.06488	2.0
133.10129	100.0
134.10405	3.0
135.08029	1.4
135.11745	2.9
137.05966	6.2
137.09627	4.2
143.08525	2.1
145.06615	0.6
146.07262	1.5
147.04399	4.8
151.03854	1.3
151.07545	1.8
151.11185	6.4
161.09621	15.8
161.13280	2.5
162.09955	0.9
179.03384	1.0
179.07182	2.9
179.10683	14.6
179.14320	3.3
180.10997	0.7
186.45985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1067
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03940	1.8
55.01873	1.8
55.05512	6.4
61.16407	0.5
65.03931	1.4
67.05508	6.4
69.03431	4.7
69.07061	1.6
69.15608	3.6
69.16016	1.2
71.04992	1.3
71.51390	0.6
73.02939	0.8
79.05495	11.3
81.03403	0.8
81.07061	18.2
91.05479	29.4
92.05812	0.7
93.07045	23.3
95.04970	4.6
95.08608	14.1
97.02874	1.9
97.06503	1.4
99.04454	0.9
103.05463	3.0
105.07030	86.9
106.07353	2.3
107.04939	1.6
107.08593	14.4
107.96105	0.5
109.06536	6.7
109.10155	3.1
112.22236	0.5
115.05441	1.7
117.06998	1.8
118.07818	1.5
119.04942	4.6
119.07775	0.9
119.08578	11.4
121.06497	2.5
121.10121	1.5
123.04411	2.3
123.08073	11.6
123.11716	3.6
125.05965	0.6
127.07505	1.4
128.06229	1.4
131.08577	5.3
133.06493	1.5
133.10129	100.0
134.10432	4.1
135.08063	1.0
135.11667	3.4
137.05959	6.4
137.09618	2.5
138.82124	0.6
143.08568	2.1
146.07246	2.3
147.04401	2.3
151.07526	1.4
151.11179	5.2
161.09616	12.6
161.13229	2.6
179.03423	1.2
179.06993	2.4
179.08429	0.7
179.08864	0.7
179.10674	11.8
179.14258	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1067
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03945	1.8
55.01880	1.4
55.05509	2.9
56.22376	0.3
57.03444	0.5
57.07069	0.4
65.03954	0.7
67.05509	4.7
69.02054	1.3
69.02460	2.3
69.03436	1.2
69.07086	0.6
71.04984	0.4
77.03934	0.5
79.05495	6.7
81.07062	8.3
91.05484	17.1
92.05792	0.4
93.07043	10.5
95.04969	2.8
95.08611	14.8
96.08977	0.4
98.22589	0.6
103.05453	2.9
105.07032	100.0
106.07307	2.9
107.05001	0.6
107.08595	6.8
109.06519	2.7
109.10152	1.9
115.05482	1.4
117.07005	2.4
118.07794	2.8
119.04947	1.4
119.08585	7.4
121.06503	1.4
121.10145	1.0
123.04441	1.0
123.07171	0.9
123.08077	18.2
123.11706	5.1
124.08372	0.4
128.06244	0.9
131.08582	5.4
133.10132	70.8
134.10536	2.1
135.08119	0.5
135.11713	1.6
136.31030	0.5
137.05995	2.8
137.09628	1.0
142.35020	0.4
143.08548	0.6
146.07265	0.6
147.04436	1.9
151.03844	0.5
151.07574	0.7
151.11197	3.4
161.09624	5.7
161.13289	0.9
179.03397	1.3
179.05243	0.5
179.07059	0.9
179.08444	0.5
179.10706	5.9
179.14302	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1067
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
51.02361	1.1
51.71723	1.0
53.03932	4.2
53.53054	0.8
54.35553	0.9
55.01875	7.9
55.05508	6.1
57.03427	1.7
59.04995	7.6
65.03925	2.4
65.39948	1.2
67.05496	7.8
69.03438	6.7
69.07053	3.2
70.88176	1.2
71.04997	1.5
71.29671	1.1
79.05492	13.8
81.07053	22.1
83.04974	1.7
85.02889	3.3
91.05478	70.4
92.05820	1.8
93.07042	27.4
95.04958	8.8
95.08604	12.6
97.02888	0.9
97.06522	1.9
103.05491	5.7
105.03390	4.3
105.07028	64.7
106.07344	2.6
107.04947	3.7
107.08594	37.8
108.05768	1.0
108.08944	1.2
109.06516	17.6
109.10149	8.5
115.05466	8.0
115.19141	1.1
115.44535	1.1
116.06236	15.5
117.07035	2.8
118.07741	1.9
119.04941	10.3
119.05805	1.4
119.08584	24.8
121.06499	25.0
121.10123	8.5
122.07318	1.1
122.10513	1.6
123.04417	8.2
123.08056	9.6
123.11699	3.4
125.05952	1.2
128.06192	3.5
129.07007	5.3
131.04878	1.6
131.08563	54.6
132.08902	1.3
133.02834	2.2
133.06508	11.7
133.10127	86.3
134.10469	2.4
135.08032	4.5
135.11659	3.9
137.05974	28.6
137.07021	1.5
137.09599	10.0
143.08569	3.5
146.07260	4.0
147.04387	8.3
147.08096	1.8
149.05936	3.2
149.08511	2.0
149.09622	27.2
151.03876	3.4
151.07536	4.3
151.11223	6.8
161.05986	13.3
161.09621	29.3
161.13242	5.6
164.08308	10.2
179.03401	4.6
179.05556	1.8
179.07117	13.5
179.10667	100.0
179.16974	1.7
180.11012	3.2
190.97743	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03938	2.4
55.01880	5.4
55.05244	1.6
55.05512	17.2
57.03439	5.9
57.07075	7.9
59.05004	2.5
65.03929	2.5
67.05506	24.4
68.26324	0.9
69.03430	9.4
69.07069	18.9
70.51298	2.5
71.05001	6.6
71.08617	1.3
73.02920	1.4
74.20508	1.2
77.03912	1.2
78.22923	1.0
79.05494	11.1
81.03450	1.4
81.07056	27.2
83.04988	23.2
83.08629	7.3
85.02923	5.2
85.06554	5.3
89.03876	2.6
89.08220	1.2
91.05491	20.0
93.07041	24.1
95.04979	12.1
95.08609	65.5
96.08925	1.6
97.02925	2.0
97.06547	5.1
97.10165	6.0
97.42428	1.1
99.08067	1.2
103.05477	1.6
105.03380	3.3
105.07031	29.3
106.06620	1.0
106.07342	1.4
107.04983	7.0
107.08595	24.3
108.05721	1.4
109.02858	1.5
109.06524	25.2
109.09444	2.1
109.10159	29.0
110.10488	1.5
111.08121	2.8
117.03362	1.9
117.07047	1.7
119.04941	9.4
119.08585	40.5
121.06508	3.2
121.10148	83.4
122.10470	4.1
123.04420	10.0
123.08076	52.2
123.11678	6.8
124.08907	10.5
125.09653	2.0
127.03923	1.5
131.08548	2.0
133.01935	1.4
133.02866	13.7
133.06479	4.0
133.07494	1.4
133.10123	17.2
134.10474	1.2
135.04407	3.3
135.08034	2.2
135.11685	15.9
135.78339	1.1
137.05972	4.7
137.09616	26.2
137.12247	2.0
137.13240	18.7
147.03387	2.1
147.04410	11.3
151.03938	5.7
151.07599	2.8
151.11230	5.3
151.14848	7.1
161.02361	2.7
161.05959	2.4
161.09637	4.1
161.13271	33.3
162.05458	3.5
179.03398	28.5
179.06979	6.5
179.10875	6.0
179.14311	100.0
180.03705	1.7
180.06532	2.6
180.14665	5.1
197.22826	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03936	1.5
55.01871	2.3
55.05508	19.3
57.03438	5.8
57.07079	9.1
59.04996	3.0
65.03944	1.2
67.05505	31.9
68.05804	0.9
69.03432	6.9
69.07069	20.2
70.82696	1.4
71.04993	2.2
71.08628	5.7
73.06551	0.9
79.05493	8.4
81.03460	0.7
81.07058	24.9
83.04479	1.7
83.04982	34.1
83.08601	5.4
85.06548	4.6
90.95905	0.7
91.05475	14.6
93.07043	17.2
94.07397	1.1
95.04972	10.1
95.08606	100.0
96.08935	2.7
97.06528	1.8
97.10175	3.2
99.08083	0.9
103.05430	1.1
105.03369	2.1
105.07033	20.7
106.07356	1.3
107.04964	1.5
107.07866	1.1
107.08597	22.0
108.05742	1.5
108.08926	1.6
109.05773	1.3
109.06522	23.2
109.10156	43.7
110.10476	1.4
111.08099	1.8
117.07006	1.5
119.04965	3.6
119.06037	1.3
119.08579	23.6
121.06504	2.1
121.09290	1.6
121.10143	24.9
122.07258	0.9
123.04414	2.6
123.08067	40.9
123.11699	6.1
125.07703	0.8
125.09634	0.8
131.08549	2.0
133.06493	1.7
133.10123	16.1
135.08060	2.0
135.11699	13.6
136.08858	1.5
137.05968	8.7
137.09612	21.7
137.13226	6.3
147.04416	4.1
151.03896	1.3
151.07532	1.0
151.11182	2.8
151.14812	33.8
152.15135	1.9
161.05948	1.1
161.09650	5.0
161.13249	19.0
161.14565	1.2
164.08263	0.8
179.03433	1.6
179.07022	3.1
179.10815	6.1
179.14308	75.8
180.14622	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.69682	0.8
52.22694	1.0
53.03949	2.7
55.01870	5.0
55.05507	5.8
57.03414	1.3
59.04986	1.3
65.03960	1.5
67.02937	0.7
67.05505	23.0
68.54002	0.8
69.03410	2.9
69.07064	7.3
69.43397	2.6
69.43810	3.0
71.05004	5.3
79.05493	17.3
81.07056	41.9
82.07397	1.8
83.04967	1.3
85.02924	1.1
85.09330	0.8
91.05481	22.1
93.07045	46.4
94.07374	2.1
95.04967	7.4
95.08605	40.8
96.08953	1.4
97.02924	1.0
97.06526	2.0
98.23338	1.6
103.05473	2.1
104.49312	0.8
105.03405	1.4
105.07028	85.9
106.07349	3.0
106.93754	1.0
107.04961	1.6
107.08587	11.1
108.08892	0.8
109.06519	8.3
109.10146	10.4
115.05444	1.1
117.07004	2.8
119.04952	3.9
119.08582	74.0
120.08887	2.0
121.06508	2.1
121.10141	82.6
122.10450	4.2
123.04430	2.3
123.08067	60.8
123.11647	1.4
124.08399	2.7
125.05956	1.4
131.08542	2.9
133.02849	1.4
133.06505	1.9
133.10130	24.8
134.10458	1.1
135.08040	1.5
135.11702	5.6
137.05981	34.0
137.07050	1.7
137.09613	11.7
138.06425	1.3
141.09096	4.1
143.08536	1.9
146.10904	1.1
147.04395	3.7
151.07539	1.9
151.11198	2.3
151.14824	1.7
161.05971	1.7
161.09660	6.8
161.13255	100.0
162.13622	4.4
179.03867	1.0
179.05356	6.4
179.07010	2.4
179.10829	7.2
179.14305	83.8
180.14647	3.7
187.16075	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	(4aS-trans)-4,4a,5,6,7,8-hexahydro-4a,8-dimethyl-2(3H)-Naphthalenone
Peak:m/z	Relative Intensity
51.48315	0.5
53.03936	0.8
53.26607	0.5
55.01873	3.0
55.05512	11.9
57.03435	1.0
57.07082	3.4
59.04999	2.9
65.03941	1.6
67.05505	22.6
68.86116	0.5
69.03431	4.7
69.07067	25.9
69.21156	3.9
71.04985	3.8
71.08637	1.4
79.05492	7.7
81.03462	0.5
81.07057	37.4
82.07394	0.8
83.04980	19.7
83.08616	3.7
85.06536	3.4
91.05477	8.9
93.07040	16.2
95.04967	5.7
95.08606	64.5
95.91027	0.6
96.08948	1.9
97.06512	4.1
97.10175	0.7
99.80737	0.6
105.07026	23.3
107.08589	13.3
108.05731	1.3
109.06519	20.7
109.10153	20.8
111.08093	2.0
117.07017	1.3
119.08580	25.5
120.08882	0.9
121.06545	1.5
121.10142	12.3
121.11001	0.7
123.04453	0.9
123.08067	39.5
123.11700	11.2
124.08350	0.8
131.08543	1.7
133.10133	15.6
134.10498	0.9
135.11711	5.8
136.08858	1.8
137.09615	7.6
137.13228	3.4
147.04471	0.8
151.11180	100.0
151.14684	3.2
152.11526	3.6
161.09662	0.8
161.13254	17.3
162.13515	0.8
179.10841	1.5
179.14307	45.1
180.14626	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.68557	1.3
53.03932	6.3
55.01873	7.1
55.05511	30.9
57.03431	2.6
61.24317	1.4
65.03913	2.4
67.05505	100.0
68.05845	2.0
69.07070	17.5
69.39777	1.6
70.34431	2.2
70.34765	2.6
71.05001	2.2
79.05492	69.5
81.03419	22.2
81.07055	92.2
82.07378	2.2
83.04979	38.7
83.08613	18.5
85.06532	2.7
91.05479	50.0
92.05746	2.0
93.07043	46.2
95.04967	12.2
95.08606	72.6
97.06535	37.3
97.10175	4.9
99.08096	1.7
105.04533	1.8
105.07040	26.5
107.08607	11.1
109.06529	8.9
109.07155	1.6
109.10163	13.8
111.08087	10.8
113.09666	7.4
117.07009	1.5
119.08568	33.7
121.10124	6.0
121.12094	1.7
123.08077	5.7
131.08624	2.1
131.69173	1.5
133.10144	21.9
134.80588	1.5
135.11696	7.3
137.09604	3.0
159.11705	1.8
161.13268	16.4
179.06438	3.6
179.08553	1.8
179.10785	1.9
179.14308	66.7
180.14679	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.9813
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99868	0.9
60.04511	0.4
65.20475	0.2
69.55588	0.2
70.54482	0.6
70.78416	0.2
82.01447	16.7
83.01534	0.7
100.02486	35.2
101.00878	0.8
101.02544	1.8
102.94356	0.9
118.00388	0.3
118.03529	11.7
119.01926	1.6
119.03631	0.6
120.02060	0.6
120.56483	0.2
120.95369	3.7
120.96241	0.3
121.95469	0.4
123.04061	0.3
136.04581	0.6
137.03020	0.2
138.96413	21.9
139.96516	0.9
147.96957	0.8
148.07925	0.2
148.95976	0.8
156.97487	100.0
157.97537	3.2
157.98637	0.3
158.97920	0.6
159.47772	0.2
161.98015	5.2
162.98155	0.2
168.48308	0.9
174.98550	63.6
175.98651	2.1
176.98950	0.4
179.99150	55.8
180.99223	3.2
198.00145	29.2
198.98727	0.9
199.00487	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.9907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90173	0.3
54.00556	0.2
54.49384	0.2
58.99826	0.3
70.95689	0.2
71.28740	0.3
82.01444	1.4
87.72017	0.2
100.02483	4.2
101.00872	0.6
102.94350	0.7
109.02834	0.3
118.03525	2.0
119.01907	1.8
120.95351	2.6
137.02971	0.4
138.96408	18.3
139.96504	0.7
143.16965	0.2
148.95992	0.6
156.97476	100.0
157.97565	4.0
158.97905	0.6
161.98009	3.9
168.48248	0.4
174.98534	82.1
175.98615	2.5
176.99030	0.5
177.48805	0.3
179.99077	50.3
180.97507	0.3
180.99161	2.7
198.00156	38.1
198.98538	1.4
199.00255	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	5,7-dihydroxy-4-methylphthalide
Peak:m/z	Relative Intensity
51.02382	0.5
53.00297	0.6
53.03946	2.4
55.01859	1.4
55.05488	0.6
57.03424	0.6
57.07074	0.5
59.65124	0.4
63.02367	1.0
63.34962	0.4
64.03148	1.7
65.03939	22.4
66.04266	0.7
67.05501	5.5
68.02633	0.8
68.99772	1.1
69.03424	1.9
69.07061	0.9
70.60102	0.9
71.04967	0.8
77.03935	0.8
79.05492	5.4
81.03407	1.6
81.07057	2.7
82.00562	0.6
82.04200	6.2
83.04988	1.1
83.08604	0.9
85.02905	5.8
86.03248	0.4
91.05485	4.8
91.06023	0.6
92.02621	18.9
93.02912	0.6
93.03408	6.0
93.07051	5.1
94.04185	2.4
95.01326	1.2
95.04964	4.5
95.08583	1.2
97.02869	1.4
97.06526	4.3
98.97584	5.2
99.04378	0.4
103.05453	2.5
105.03413	0.6
105.04510	0.9
105.07043	2.0
107.01299	1.2
107.04947	4.2
107.08591	4.4
108.02081	4.2
109.02874	0.7
109.06506	1.0
110.03656	6.3
111.04438	6.5
111.08088	1.0
116.98634	2.1
117.06972	0.4
117.52200	0.4
119.01343	0.6
119.04944	0.7
119.08582	1.2
120.02081	31.6
121.02911	5.7
121.03895	0.7
121.06499	3.5
121.10135	4.6
123.00780	3.1
123.04441	0.7
123.08033	2.1
125.06003	5.8
131.04922	0.7
134.99678	0.6
135.04401	1.9
135.08044	2.3
135.11632	2.0
136.01544	0.9
137.02336	12.1
137.03395	0.8
137.05963	1.8
137.09518	0.4
138.03122	10.8
139.03613	0.6
139.07443	0.6
139.11179	0.5
142.02609	3.2
145.10069	1.0
148.01549	8.0
149.02345	1.5
149.05986	3.9
149.86952	0.4
151.03908	0.6
153.01866	0.9
153.05429	2.3
163.07552	1.0
163.11186	2.2
163.14815	0.7
166.02612	30.4
167.02957	1.2
171.06531	4.1
181.04948	100.0
181.12187	1.7
182.05292	4.2
184.03665	10.7
185.04092	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
52.56004	0.3
53.03941	0.7
55.01874	0.6
57.03421	0.4
62.86637	0.3
63.02386	0.5
65.28680	0.3
70.46713	0.7
73.29125	0.3
77.03967	0.3
79.05492	3.9
89.03915	20.4
90.04252	0.6
91.05462	2.4
93.03371	0.6
93.07044	1.3
95.04986	1.0
98.97591	0.8
103.05477	3.3
105.04538	0.4
105.07034	0.6
107.04951	16.3
107.08609	0.5
108.05307	0.5
111.04443	1.3
116.02821	0.3
116.98606	0.5
117.03375	23.5
118.03690	1.0
119.04925	0.3
120.79780	0.3
121.06487	2.8
131.04915	1.5
132.15074	0.3
135.04413	40.0
135.08055	2.4
135.57507	0.3
136.04744	1.5
136.07567	1.4
139.03929	0.6
145.02847	25.0
145.03894	1.0
146.03169	0.8
148.05206	1.7
149.05954	1.3
163.03897	100.0
163.07471	2.6
164.04240	4.2
164.07057	0.4
181.04866	0.9
181.08585	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
53.03951	2.2
55.01871	0.9
55.05508	0.6
59.26969	0.3
60.44790	0.3
61.24955	0.3
61.42625	0.3
63.02384	0.7
65.03940	1.9
67.05497	0.4
68.04404	0.3
69.03440	0.4
69.55819	1.2
69.56227	0.5
71.05019	0.3
71.05714	0.3
77.03937	0.9
79.05499	6.0
81.03433	0.4
81.07050	0.7
83.04984	0.5
85.81448	0.3
89.03921	23.1
90.04247	0.9
91.05485	13.6
93.03406	1.4
93.07047	8.0
95.04979	3.6
95.08605	0.4
97.06537	0.6
98.22611	0.4
98.97569	1.0
103.05482	5.9
105.04516	1.3
105.07030	1.1
107.04957	10.0
107.07957	0.3
107.08569	1.5
109.06535	0.5
110.03666	0.5
111.04465	2.8
116.28044	0.3
116.98605	0.7
117.03387	26.0
117.07036	0.5
118.03734	1.0
119.04926	2.2
120.05730	2.2
121.02898	0.6
121.06509	10.8
121.10160	0.9
123.04442	1.1
125.05994	0.6
129.07066	0.4
131.04945	0.7
131.06004	0.4
133.02850	1.3
135.04422	44.2
135.08020	1.8
135.11665	0.5
136.04823	1.1
136.07579	5.1
137.05989	1.5
137.09642	0.3
138.03160	0.3
138.06743	0.6
139.03882	2.4
139.07582	0.5
145.02856	27.5
145.10092	0.6
146.03183	1.5
147.04434	1.1
148.05190	1.5
149.05981	3.1
151.03920	1.1
151.07491	0.5
153.09058	0.3
163.03908	100.0
163.11188	1.1
164.04250	4.7
164.07080	2.3
164.08260	0.5
166.06256	4.4
173.88969	0.3
181.05006	1.3
181.08603	16.9
181.12148	0.7
182.09000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.086
Annotation	Coniferyl alcohol
Peak:m/z	Relative Intensity
53.03941	2.7
55.01862	2.9
55.05508	1.2
55.47923	0.8
56.96560	0.7
57.03442	5.2
59.05013	0.6
65.03933	1.5
67.05504	1.2
69.03420	0.8
69.38600	4.3
73.07918	0.7
79.05496	8.1
81.07034	1.0
83.04982	1.9
85.02909	0.9
89.03915	5.4
89.76714	0.7
91.05478	10.9
93.03418	1.1
93.07048	10.5
95.04983	5.5
95.08610	0.8
97.02893	2.6
98.97587	4.5
103.05473	34.8
104.05761	0.8
105.04552	1.1
105.07034	8.7
107.04961	100.0
107.08607	1.8
108.05313	2.3
108.36765	0.7
109.02906	1.0
109.06527	0.7
111.08086	1.3
115.05472	1.0
116.98633	2.3
117.03371	5.6
117.07037	1.8
120.05748	2.0
121.06516	33.8
121.10175	1.9
122.06924	1.2
123.04434	2.2
124.05206	2.3
125.09620	1.0
131.04935	12.6
135.04422	11.0
135.08063	20.7
135.09106	1.1
136.08444	1.3
137.05963	3.5
139.07545	1.5
145.02864	6.9
145.10051	0.9
147.04442	1.1
148.05193	17.8
149.05995	13.6
163.03909	26.9
163.07549	25.6
163.08925	1.2
163.11198	0.9
164.04295	1.1
164.07959	0.8
166.06247	1.6
179.20105	0.7
181.04996	2.3
181.08609	10.6
181.12172	0.8
182.04993	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0859
Annotation	80638-48-8
Peak:m/z	Relative Intensity
51.02375	0.8
53.03949	5.9
55.01864	2.3
55.05516	1.0
57.03444	0.6
63.02366	1.1
65.03938	5.0
66.26099	0.5
67.05504	1.6
69.03430	0.8
69.07058	0.9
69.43470	3.1
71.05016	0.6
77.03931	1.8
78.04698	0.7
79.05495	8.1
81.03423	1.7
81.07047	1.8
83.04986	1.7
85.02918	0.6
89.03919	21.5
91.05482	47.1
92.05786	1.3
92.06268	1.4
92.51193	0.6
93.03405	3.4
93.07044	27.9
94.07366	0.8
95.04973	10.1
95.08622	0.9
96.57555	0.6
97.06555	1.3
98.97619	3.4
103.05471	21.1
104.05819	0.9
105.03390	1.5
105.04517	4.2
105.07015	2.6
106.04188	1.3
107.04956	11.3
107.08590	3.5
109.06548	1.2
109.10153	0.6
110.03664	1.4
111.04450	6.5
111.08067	1.1
116.98627	2.2
117.03381	23.5
117.07001	0.7
118.03677	0.7
119.04939	6.2
119.08553	0.6
120.05728	5.5
121.02877	1.2
121.06512	37.4
121.10119	2.5
122.06847	1.1
123.04435	3.5
123.08051	1.5
124.05247	1.0
125.06004	2.0
131.04933	2.2
131.05942	1.0
133.02869	4.7
134.03618	0.8
134.99683	0.9
135.04416	49.3
135.08037	3.3
135.11696	2.2
136.04814	1.7
136.07585	2.7
137.05978	5.4
137.09650	0.8
138.06769	3.1
139.03905	6.2
139.07533	1.2
142.50322	0.5
145.02852	26.8
145.10081	0.6
146.03224	1.1
147.04433	3.4
148.05194	4.3
149.05981	12.9
151.03885	6.1
151.07504	0.9
153.05447	1.7
163.03906	100.0
163.07573	1.5
163.11130	2.5
163.14867	0.5
164.01695	1.0
164.04247	4.9
164.07050	1.2
164.08359	2.6
166.06252	19.8
167.06635	0.7
181.05193	3.4
181.08598	63.0
181.12108	2.1
182.09076	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0859
Annotation	80638-48-8
Peak:m/z	Relative Intensity
53.03941	0.6
55.01873	0.6
55.05503	0.3
56.96558	0.8
59.34026	0.3
65.03938	1.3
66.04699	0.5
70.48100	0.8
79.05491	2.1
81.07059	0.7
83.04980	0.3
90.56297	0.3
91.05484	24.1
92.05810	0.5
93.03448	0.4
93.07067	2.2
94.04185	2.8
95.04981	1.5
95.08560	0.3
97.46768	0.4
98.97585	4.7
103.05464	5.6
105.07052	0.5
107.04949	1.5
107.08617	0.7
111.04441	0.6
116.98619	2.4
119.04948	29.4
120.05257	0.8
121.06495	1.8
121.10181	0.4
122.03648	10.3
131.04933	7.6
134.99637	1.1
135.04443	0.7
135.08057	1.7
136.05200	4.2
137.05978	100.0
138.06299	3.2
148.05182	0.5
149.05995	0.8
150.06744	0.4
151.07541	17.0
151.16084	0.4
152.07860	0.6
158.01176	0.4
163.04033	0.6
163.07535	1.5
166.06267	0.4
181.05016	1.6
181.08559	2.5
181.12199	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.086
Annotation	Coniferyl alcohol
Peak:m/z	Relative Intensity
53.03959	2.9
55.01881	2.6
56.96563	0.6
57.03439	4.5
57.52402	0.5
65.03941	1.5
67.05502	0.9
69.03409	0.5
71.33419	0.7
77.03922	0.9
79.05497	6.0
81.03407	0.7
81.07071	1.0
89.03938	1.2
91.05495	9.1
93.07047	11.0
95.04982	3.5
96.77824	0.7
98.97577	2.7
101.18750	0.5
103.05476	35.7
104.05813	1.4
105.03414	1.3
105.04535	1.4
105.07038	8.6
107.04961	100.0
107.08610	1.6
108.05273	2.7
109.02886	1.0
111.04435	1.4
116.98634	1.7
117.03384	1.8
117.07045	1.4
120.05737	1.6
121.06515	31.8
121.10177	0.6
122.06844	1.2
123.04443	2.2
124.05238	3.1
125.05957	0.6
131.04935	12.6
135.04440	3.0
135.08060	22.6
135.09106	1.1
135.11703	0.7
136.07513	1.0
136.08466	1.2
137.05972	1.3
139.07520	1.3
141.53036	0.5
145.02908	0.8
147.04422	1.5
148.05203	19.2
149.05994	12.5
163.03891	6.4
163.07550	21.5
164.07906	0.8
166.06248	0.9
181.04994	1.9
181.08583	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0859
Annotation	80638-48-8
Peak:m/z	Relative Intensity
53.03951	1.4
55.01872	2.3
55.05510	2.5
56.96557	0.7
57.03440	0.8
57.07079	0.6
58.52306	0.2
59.05001	0.4
60.85076	0.3
64.03159	0.3
65.03936	2.5
66.04706	0.6
67.05505	3.5
68.99785	0.4
69.03422	1.4
69.07072	2.4
69.25051	1.6
71.04993	1.8
77.03905	0.4
78.04713	2.1
79.05070	0.4
79.05496	6.2
80.06265	0.4
81.03403	1.2
81.07056	6.6
82.04190	0.4
83.04973	2.3
83.08614	1.7
85.02899	0.7
85.06549	0.7
89.03896	1.5
90.04704	1.4
91.05479	10.3
92.02601	0.3
92.05760	0.5
92.06269	1.2
93.03394	1.2
93.07050	7.4
94.04198	0.8
94.07368	0.3
95.04971	4.7
95.08607	3.9
97.02871	0.8
97.06532	2.5
97.10164	0.5
98.97578	4.8
99.04440	1.3
99.08093	0.6
103.05470	1.1
105.03381	1.2
105.04525	0.8
105.07038	1.5
106.04176	1.6
107.04958	6.3
107.08591	9.9
108.05782	1.5
108.08933	0.5
109.06526	4.1
109.10150	1.2
111.04437	0.5
111.08088	1.5
115.05424	0.4
116.98621	2.6
117.07049	0.6
118.04156	0.8
119.04947	0.7
119.06007	0.3
119.08578	1.2
120.02077	1.0
120.05731	1.6
121.02928	0.6
121.05721	0.5
121.06512	3.6
121.10142	9.7
122.03664	0.8
123.04451	4.8
123.08074	2.0
123.11687	2.3
125.05981	1.2
125.09638	1.5
131.12376	0.3
134.99663	0.9
135.04431	1.7
135.08031	3.3
135.11707	2.6
136.05215	2.2
137.05977	15.2
137.09592	0.9
138.03133	0.7
138.06769	6.5
139.07542	0.8
139.11169	1.9
145.10152	1.5
148.05186	47.0
149.05814	2.2
150.03085	0.3
151.03905	6.2
151.07565	0.4
153.05457	0.4
153.09062	0.9
163.03909	0.6
163.07509	0.9
163.11205	2.8
163.14825	6.2
165.05499	1.8
166.06218	2.0
167.03491	0.7
181.05302	2.6
181.08594	100.0
181.15862	3.0
182.08940	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03942	1.0
55.01871	2.4
55.05507	2.1
55.86850	0.4
56.86829	0.5
56.96550	0.6
57.07069	1.9
57.86678	0.4
62.28633	0.5
67.05495	1.4
69.02192	2.2
69.02617	1.6
69.07062	1.1
71.04990	0.7
73.02919	0.4
77.03925	0.4
79.05062	0.7
79.05495	9.6
80.05769	0.4
81.03422	0.4
81.07052	3.9
83.04984	4.8
91.05481	6.1
93.07042	42.2
94.07372	1.2
95.04977	2.4
95.08611	2.3
97.06547	2.6
98.22861	1.9
98.97581	2.8
101.05985	0.5
103.05415	0.5
105.04502	0.4
105.07027	6.8
106.07875	0.4
107.04935	0.5
107.08595	12.3
108.08897	0.4
109.10158	0.7
116.98643	2.3
117.07018	1.1
119.08575	11.3
120.08930	0.7
121.06524	1.5
121.10139	100.0
122.10474	4.4
123.08093	1.1
125.05996	4.8
127.26523	0.4
130.07773	0.7
133.07657	0.7
134.99640	1.4
135.08022	0.5
135.11687	8.3
135.12689	0.6
136.70374	0.4
145.10107	4.0
153.05455	0.7
163.11182	22.2
164.11488	1.1
165.06990	0.7
166.07811	0.8
181.06168	0.8
181.10124	0.9
181.12215	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03950	3.8
55.01871	5.3
55.05511	31.8
56.96566	2.4
57.03436	2.7
57.07077	4.9
59.04997	3.3
59.61148	0.6
60.09112	0.6
65.03932	4.6
65.52821	0.6
67.05504	19.7
68.99789	0.8
69.03079	1.3
69.03432	17.5
69.07068	13.3
71.04989	8.5
71.95273	1.0
73.31396	0.6
77.03929	1.1
79.05493	53.4
80.05817	1.8
81.03396	1.3
81.07056	23.5
82.04146	0.8
82.07423	0.6
83.04983	21.3
83.08617	18.1
84.05302	0.7
84.79109	0.7
85.02927	1.6
85.06542	6.1
91.05478	29.9
92.05788	0.7
93.03413	1.1
93.07043	53.2
94.07354	1.2
95.04967	10.0
95.08603	24.9
96.08881	0.8
97.02888	10.3
97.06527	41.7
97.10144	1.2
98.97585	18.3
99.04477	2.9
99.08089	2.7
103.05453	2.6
105.04477	1.5
105.07030	25.7
106.04203	1.0
106.07335	1.1
107.04961	10.9
107.08591	92.6
108.08913	1.9
109.06517	11.2
109.10140	6.7
111.04441	48.7
111.08083	8.8
112.04791	1.2
113.06007	4.9
114.15160	0.7
115.05429	4.9
116.06217	0.9
116.98623	14.9
117.07014	8.3
119.04949	1.3
119.06058	2.7
119.08578	10.4
121.06523	10.2
121.10141	100.0
122.07321	3.8
122.10474	5.4
123.04496	0.8
123.08066	47.3
123.11615	1.2
124.05201	0.7
124.08395	1.8
125.05985	12.3
125.09612	1.9
127.07550	2.4
128.06194	0.9
129.07082	1.2
130.07793	4.8
133.06529	0.9
133.07602	1.0
133.10136	0.8
134.99664	7.9
135.04462	1.2
135.08052	44.5
135.11685	40.4
136.07481	0.9
136.08395	2.1
136.12022	1.5
137.02370	0.7
137.05989	4.8
137.09615	9.9
138.09984	0.8
139.07495	3.0
139.11195	1.9
141.07010	1.0
143.08586	1.2
145.10117	26.9
146.10480	1.7
148.05156	0.7
149.05981	1.9
153.00676	0.8
153.05539	0.7
153.07045	1.3
153.09109	1.8
153.12726	4.6
160.83287	0.8
161.83690	0.6
163.03912	1.0
163.07509	3.2
163.11182	30.6
164.07057	0.9
164.11551	1.6
165.07057	4.3
166.07744	5.9
179.08604	1.3
181.04941	5.8
181.06482	1.7
181.08545	4.3
181.10126	4.8
181.12225	24.2
181.15836	1.8
182.12643	1.1
182.15385	2.0
200.72325	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
52.43897	0.7
53.03968	0.8
55.01903	1.0
55.05508	3.6
56.96575	1.5
57.03446	0.7
57.07079	19.2
59.05016	2.5
67.05512	1.5
69.03442	1.4
69.07073	3.5
71.68856	0.7
76.42792	0.7
79.05494	9.8
79.05911	0.9
81.03418	6.0
81.07050	3.3
81.27709	0.7
83.04984	41.3
84.05328	1.3
85.06550	0.8
91.05472	4.4
93.07056	8.3
95.04970	14.1
95.08585	1.3
97.05914	1.5
97.06531	23.5
97.07131	1.5
98.97588	10.7
101.09126	0.7
102.24566	0.8
105.07017	5.5
107.04977	2.4
107.08598	10.6
107.09282	0.8
116.98620	11.4
117.07024	1.9
119.08598	3.0
121.06521	3.1
121.10145	14.1
121.11009	0.8
123.08131	0.7
125.05990	56.9
126.06328	1.3
130.07814	2.8
134.99648	5.9
135.08098	0.8
135.11687	6.6
145.10129	10.5
146.10434	1.2
147.01625	0.6
148.08812	0.8
153.00731	1.1
158.01276	1.5
163.11185	100.0
164.11516	5.5
165.07014	0.7
166.07777	1.2
177.68748	0.8
181.06114	7.0
181.08632	1.6
181.10147	2.2
181.12228	30.0
182.06412	0.7
182.12527	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.98503	0.5
53.03949	1.6
55.01871	1.2
55.05502	2.2
56.96572	1.3
57.03436	1.1
57.07078	1.4
59.05003	0.7
65.03935	2.1
67.05172	0.5
67.05507	3.0
69.03431	1.8
69.07062	1.4
69.93867	1.2
69.94256	1.2
75.04462	1.1
79.05493	10.0
81.07061	6.5
83.04976	1.5
91.05482	14.6
93.07044	18.0
95.04964	2.4
95.08610	6.4
97.06538	1.3
98.23332	0.7
98.97589	11.0
103.05450	2.7
105.07038	8.3
107.04965	2.0
107.08595	100.0
108.08895	3.5
109.06516	3.7
109.10175	2.2
111.04489	0.6
111.08080	2.2
116.98628	5.6
117.07008	0.6
119.06072	1.8
119.08552	2.6
120.09361	0.7
121.06501	4.8
121.10135	8.8
123.08079	1.2
125.02382	1.5
125.05990	2.1
125.09632	3.9
130.07741	0.9
132.43852	0.7
134.99648	1.4
135.08054	2.7
135.11694	35.8
136.12039	1.5
137.13220	0.9
139.07532	2.3
140.04674	4.6
145.10130	5.9
149.05974	1.4
153.05499	1.7
153.12708	1.2
157.23935	0.6
163.03966	0.8
163.07498	0.6
163.11182	10.1
165.07021	0.7
166.06264	0.5
166.07710	0.8
174.69826	0.5
181.04984	1.4
181.06570	0.8
181.08592	2.1
181.10146	1.7
181.12233	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03941	3.7
55.01874	2.6
55.05510	9.7
56.96581	1.5
57.03441	2.7
57.07082	2.5
59.04990	3.2
65.03939	2.1
66.24281	1.0
67.05511	8.6
69.03431	13.9
69.07074	8.9
70.58588	3.4
71.04990	4.5
77.03909	1.2
78.98460	1.0
79.05062	1.8
79.05493	24.3
81.03416	1.3
81.07059	22.8
83.04965	5.5
83.08621	4.8
85.06537	2.8
91.05479	18.1
93.07051	36.1
95.04987	6.7
95.08602	10.7
97.02906	3.2
97.06530	20.7
98.97588	24.6
103.05482	2.9
105.07024	22.2
107.01359	1.4
107.04974	3.6
107.08597	100.0
108.08938	3.7
109.06528	20.5
109.10166	3.6
110.72092	1.4
111.04455	3.5
111.08087	3.1
116.98627	12.9
117.07028	4.0
119.04964	1.9
119.08555	5.8
121.06519	3.5
121.10149	38.9
122.10458	2.8
123.08070	44.4
124.08461	1.8
125.05941	2.8
127.78524	1.2
130.07816	3.6
134.99658	4.9
135.08084	4.6
135.10667	1.9
135.11694	36.7
136.12059	2.5
137.05931	4.2
137.09647	5.4
139.11179	5.3
145.10126	23.2
148.05106	1.1
149.06012	1.7
153.12669	1.6
163.11189	40.9
164.11502	2.3
165.06989	1.7
177.94725	1.2
181.01202	1.0
181.05067	2.6
181.08659	1.6
181.10049	1.5
181.10577	1.8
181.12233	22.0
182.12584	1.6
189.56659	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1541
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
55.01857	0.9
55.05512	8.4
57.03439	1.4
57.07070	3.5
58.02669	1.5
58.02963	38.4
67.05507	21.6
69.04992	8.0
69.07072	69.0
70.06584	3.3
70.07387	1.2
74.06075	1.0
79.05490	6.8
81.07056	21.3
83.04988	1.9
83.08623	9.3
84.08141	8.8
86.06070	2.3
91.05484	5.9
93.07046	11.1
95.04952	2.5
95.08614	6.1
97.06496	3.9
98.06033	2.3
98.09695	1.8
98.23363	2.0
98.97592	2.2
99.97926	1.0
100.07632	8.2
105.07047	15.6
107.08595	17.0
108.08899	1.3
109.06491	3.2
109.10160	51.6
110.10489	1.3
112.07610	2.2
114.09169	14.4
116.98615	1.3
119.08563	1.8
121.10133	1.3
123.11691	7.4
126.09164	12.4
126.12788	1.7
133.10132	30.0
135.11702	20.1
136.11996	0.9
137.13203	0.9
138.12775	24.4
139.13159	1.0
140.10716	1.2
147.11679	4.8
151.11171	11.8
153.12758	12.6
153.83594	0.9
154.15883	1.5
155.08569	1.2
160.04582	1.7
164.14346	3.3
165.12733	2.6
168.09444	1.4
182.15416	100.0
183.11719	2.2
183.15758	3.7
196.37489	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1016
Annotation	2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate
Peak:m/z	Relative Intensity
53.03947	3.4
55.01874	23.4
55.05510	6.3
57.03436	2.6
64.06048	1.1
65.03934	2.1
67.05505	54.0
69.03427	8.7
69.07060	5.7
69.25322	2.6
69.25726	5.4
71.04993	10.3
79.05490	27.3
81.07054	52.9
83.04993	2.5
83.08638	1.6
83.83958	1.1
85.06551	4.9
91.05485	3.2
93.07032	9.3
95.04979	12.0
95.08607	21.9
97.06538	16.6
98.98495	1.4
99.04465	8.0
99.08108	3.3
105.07041	3.8
107.04946	2.5
107.08602	5.0
109.06506	7.7
109.10154	100.0
110.10512	4.0
111.04440	1.7
111.08059	1.8
113.06002	9.0
119.08591	7.9
121.10114	6.7
123.04438	1.8
123.08076	9.7
123.11745	2.6
125.05992	65.1
126.06349	3.0
128.84012	1.1
137.09615	36.2
138.09927	2.0
139.07475	1.3
143.07008	7.2
147.08078	4.0
153.09111	4.2
155.10661	3.6
160.04546	1.2
162.54222	1.0
165.09117	35.4
165.12764	2.6
166.09453	1.7
183.10191	25.5
183.11688	1.8
183.13722	1.3
184.10689	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1017
Annotation	2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate
Peak:m/z	Relative Intensity
53.03938	3.4
55.01869	10.3
55.05513	9.1
57.03431	3.5
59.04981	1.6
59.07803	0.9
65.03931	3.0
66.57741	0.8
67.05504	52.5
68.05827	1.0
69.03419	5.4
69.07072	7.0
70.23959	1.9
71.01349	14.0
71.04994	8.1
79.05491	19.7
81.03405	2.0
81.07055	58.9
82.07372	1.2
83.04986	4.4
85.02904	32.5
85.06541	3.4
90.27195	1.0
91.05492	6.7
93.07049	10.4
95.01334	4.7
95.04966	14.3
95.08605	20.6
95.09139	0.8
95.25921	0.9
97.06522	8.8
98.98473	3.3
99.04430	9.8
99.08081	3.9
101.02375	0.8
101.05954	0.9
105.07028	6.2
107.04922	1.5
107.08579	3.0
109.06514	17.0
109.10152	100.0
110.06030	1.6
110.10471	3.4
111.04439	6.5
111.08056	1.3
112.44653	0.8
113.02362	25.3
113.05999	5.8
115.62666	0.8
119.08580	13.0
121.06503	1.4
121.10136	5.4
123.04440	5.3
123.08058	14.0
124.07600	1.2
125.05991	30.2
126.06323	1.1
127.01574	1.0
127.03908	2.6
127.07523	2.8
133.06479	1.6
137.06017	8.5
137.09608	34.9
138.10005	1.8
139.07500	1.7
140.04672	1.0
143.07074	2.9
147.08057	6.8
153.09117	2.2
155.08556	2.3
155.10667	2.5
160.04556	1.0
165.09120	23.9
168.09323	2.9
168.16481	0.9
183.08240	1.7
183.10168	18.1
183.11685	3.4
203.08369	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1017
Annotation	Dihydroconiferyl alcohol
Peak:m/z	Relative Intensity
53.03955	0.8
55.01875	1.8
55.05509	0.6
55.07157	0.2
56.41211	0.2
57.03437	0.5
62.06286	0.3
65.03963	0.4
66.04711	0.4
67.05511	2.1
69.03436	0.4
69.07082	0.3
69.35719	1.7
71.04990	1.0
79.05499	6.7
81.03413	0.4
81.07059	2.5
85.02899	0.3
87.78945	0.2
91.05490	2.3
91.77971	0.2
93.03425	0.4
93.07054	1.3
94.04182	3.3
95.04981	3.2
95.08615	2.4
97.02941	0.3
97.06583	0.3
98.98457	0.6
99.04457	1.6
99.08111	0.3
103.05476	3.5
105.07038	35.7
106.07391	1.7
107.04961	0.6
107.08579	0.6
109.02884	0.5
109.06501	1.8
109.10171	1.6
115.05430	0.7
119.01966	0.3
119.08569	1.5
122.03654	10.1
123.04484	1.3
123.08093	1.2
123.11723	0.5
124.05201	1.0
125.05995	0.3
133.06499	27.7
134.06789	1.1
137.05983	100.0
137.09512	1.9
138.06332	3.7
140.04697	0.4
147.08087	0.4
150.06767	0.3
151.03915	0.3
155.06918	0.3
155.08595	0.4
165.07692	0.5
165.09126	4.9
165.12749	0.3
183.08533	0.3
183.10178	0.6
183.11649	0.5
184.15588	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22825	3.0
69.23237	0.8
70.75153	0.4
73.26103	0.4
82.99842	3.4
101.00883	42.1
102.00942	3.1
119.01921	100.0
120.02008	7.8
121.01698	0.6
124.02447	2.0
137.02953	21.9
138.03110	1.3
142.03496	20.4
143.03629	3.4
144.03232	0.9
160.04552	5.6
161.02968	8.6
161.04678	5.1
162.04341	1.1
178.01143	0.5
179.04045	9.4
179.05598	0.7
180.04184	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.03436	1.8
58.42000	0.3
60.08162	3.0
61.02925	1.0
69.03416	1.7
69.59975	2.1
71.07376	1.0
73.02924	4.6
74.03249	0.8
77.00908	0.7
78.83939	0.4
81.03397	1.2
82.99812	2.4
84.04501	0.6
85.02911	3.1
86.03232	0.5
86.09706	10.8
89.00897	0.5
97.01406	0.5
97.02359	0.4
97.02888	2.3
98.23363	0.6
98.98456	1.9
99.04456	0.8
101.00878	34.8
102.00936	3.1
102.02336	0.5
102.52502	0.5
103.00630	1.7
103.02403	0.4
104.10744	17.1
111.53028	0.6
113.00877	1.1
115.00590	0.5
115.02448	2.0
118.03480	0.7
119.01917	100.0
120.01985	8.8
120.08076	0.6
121.01660	2.3
124.02462	1.4
124.99992	7.5
127.03903	1.2
131.01892	2.8
132.01990	0.6
133.01662	1.6
133.03450	1.4
137.02954	30.0
138.03055	2.6
138.53473	0.5
139.02548	0.8
139.03630	0.4
142.03497	17.6
143.01912	6.0
143.03606	3.8
144.01999	1.3
145.01685	1.2
145.03456	1.0
146.03551	0.4
147.01387	0.8
149.03003	0.5
151.02657	0.4
152.19131	0.4
155.01932	1.0
156.02074	0.9
157.01709	0.9
157.03441	3.0
158.03534	0.9
160.04550	8.4
161.02960	15.6
161.04683	4.6
162.03062	1.7
162.04362	1.3
163.02733	0.8
164.04561	0.4
165.05098	0.6
166.04979	0.7
168.02083	0.6
169.01622	0.7
173.02957	1.5
174.03168	1.4
175.02731	1.1
175.04509	1.0
179.04018	9.0
179.05696	2.0
180.04068	0.8
184.04590	2.2
184.06094	2.2
184.07629	6.8
184.09598	0.5
185.03008	2.0
186.03120	1.5
187.02750	1.1
197.31259	0.4
202.05615	1.3
203.04036	0.8
204.04263	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87082	0.5
51.70963	0.5
59.99082	0.5
69.94100	2.5
70.06594	1.0
82.99832	3.4
86.09693	1.6
92.39877	0.5
93.33746	0.5
100.05348	0.4
101.00877	37.4
102.00923	2.8
103.00606	1.0
119.01918	100.0
120.01991	7.5
121.01664	0.9
124.02438	2.5
124.99993	1.4
131.01820	0.7
133.01656	1.1
137.02957	25.8
138.03053	1.9
142.02394	1.1
142.03503	19.4
143.01889	1.1
143.03583	3.8
144.03220	0.8
156.03224	0.9
157.03532	1.0
160.04564	5.5
161.02968	9.1
161.04680	4.4
162.04362	1.4
179.04031	10.5
179.05696	1.6
184.04567	0.8
184.07378	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03978	1.1
53.03966	1.7
55.05497	2.2
67.05502	3.0
67.16412	1.0
69.03426	1.5
69.07054	1.6
71.04990	5.3
71.29715	1.7
79.05493	22.1
80.44775	1.0
81.07060	5.3
83.04980	1.1
91.05465	1.7
93.07047	3.6
95.04963	1.5
95.08609	2.4
96.05288	3.2
97.06528	3.0
98.97579	8.3
103.05459	4.8
105.07053	4.0
105.98669	1.2
107.04953	100.0
107.08591	3.9
108.05286	3.5
109.06532	1.3
116.98607	1.5
118.86974	1.1
120.08895	2.5
121.10134	7.0
123.11708	1.7
124.04793	1.6
124.07573	4.2
124.08455	1.5
125.00012	1.4
125.06009	4.2
128.06218	2.3
129.06996	4.9
131.04939	5.1
139.11215	2.8
141.06993	1.6
142.07811	3.1
143.08530	1.5
149.06012	5.6
149.09682	1.7
153.05470	3.7
154.06284	2.2
155.08525	1.4
156.08971	2.2
157.06461	2.8
157.10126	2.9
167.10701	2.9
170.07254	1.1
175.20461	1.2
185.05983	2.7
185.08192	1.3
185.09535	5.6
185.13341	3.9
196.49342	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.097
Annotation	Levonordefrin
Peak:m/z	Relative Intensity
53.03940	1.1
55.01879	3.9
55.05507	4.1
57.03440	1.8
58.02956	0.6
59.05018	0.9
59.73763	0.5
60.04525	4.7
67.05513	7.7
68.05010	0.7
68.05843	0.9
69.03431	0.9
69.07071	31.5
69.71991	1.3
69.72385	1.2
70.07420	0.9
71.04987	4.4
71.08640	0.8
79.05494	5.1
80.05851	0.6
81.03423	0.8
81.07061	5.3
81.33561	0.5
82.06602	0.9
82.07397	0.7
83.04984	2.1
83.08601	0.6
85.02902	1.1
85.06544	1.3
85.24834	0.5
86.02423	3.8
86.09665	0.8
87.04471	2.0
91.05460	5.0
92.05816	1.1
93.07050	15.1
94.06564	1.8
95.04980	3.1
95.07355	4.2
95.08608	24.0
96.04492	1.4
96.05296	1.4
96.08133	3.9
96.08907	1.6
97.06533	6.5
97.10142	0.9
105.07021	2.7
106.07336	1.7
107.04993	0.5
107.08602	8.1
108.08117	2.1
108.08885	0.5
109.06521	1.5
109.10141	0.8
110.06060	5.2
110.09688	21.5
110.10458	1.3
111.04383	0.9
111.06814	0.9
111.08092	1.2
112.07621	1.0
113.06007	5.6
115.03896	0.7
119.01930	3.1
120.02088	0.7
120.07323	1.0
120.08116	11.0
120.08897	1.0
121.06520	9.4
121.07395	1.0
121.10139	8.2
123.06779	1.3
123.08083	6.4
123.11681	1.4
124.04737	1.1
124.07598	30.3
124.08381	2.1
125.05988	3.1
125.07953	1.2
125.09656	5.1
128.06232	1.2
129.06993	1.6
131.08463	0.9
134.06793	1.0
137.06015	1.2
138.06363	3.1
138.09140	100.0
139.03868	0.9
139.07542	1.8
139.09537	3.3
139.11156	6.4
141.06941	0.9
142.07808	0.9
143.08553	1.9
148.07539	3.4
149.05974	2.4
149.09653	1.6
153.05478	0.9
156.09052	0.7
156.10222	1.4
157.06557	1.0
157.10132	2.1
166.08635	92.6
167.07043	2.2
167.08934	3.9
167.10538	4.2
168.20129	0.7
169.09972	0.7
184.07381	1.4
184.09691	21.2
184.12038	1.0
184.16904	0.8
185.05966	1.0
185.08109	0.9
185.09746	2.4
185.11676	1.9
185.13243	1.8
191.08572	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85632	11.4
55.55306	11.9
56.45469	10.6
56.56366	16.2
69.21203	13.0
69.93565	54.1
93.89040	11.4
95.91379	12.7
101.00890	50.4
102.00920	28.4
103.00605	25.7
104.10700	13.3
105.11078	34.2
113.00880	37.8
119.01942	100.0
120.02026	94.5
121.01662	47.2
131.01906	93.7
137.03000	21.7
138.03078	20.7
143.03613	25.3
144.03235	21.1
145.03433	16.4
155.01880	46.0
157.03513	31.8
161.03000	23.9
161.04842	13.0
162.03075	20.7
162.04323	23.2
173.02933	39.2
185.12849	22.4
186.09235	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0809
Annotation	UNII-Z02B4Y02FV
Peak:m/z	Relative Intensity
51.02380	0.5
53.00299	0.4
55.01880	0.6
65.03937	1.4
67.05509	1.7
68.99797	1.7
71.07858	0.7
74.27076	0.4
75.04481	1.8
79.01848	1.5
79.05527	0.6
82.04195	2.7
83.04984	1.1
85.02912	0.5
93.03404	1.8
93.07024	0.6
95.01331	8.0
95.04975	1.7
97.06545	0.6
99.04445	0.5
106.18021	0.4
107.01344	1.0
107.08587	0.5
109.02873	1.0
110.03661	28.9
111.04482	6.4
111.68229	0.4
121.03976	0.4
121.10160	0.5
123.00787	0.8
123.04417	1.8
123.08173	0.4
124.05269	0.7
125.05991	76.7
126.06261	3.0
127.03922	5.4
132.04539	0.4
135.04398	0.5
138.03130	1.3
139.03903	20.4
140.04607	0.7
141.05435	0.6
142.06232	0.9
153.05464	100.0
154.06253	40.8
155.03413	3.1
155.06993	2.1
156.04149	0.5
169.04971	0.5
170.05737	6.9
185.08087	24.1
185.13358	0.4
186.08388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1173
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
51.44335	1.3
53.00307	2.2
53.03939	1.5
55.01880	2.9
55.05499	5.3
57.03432	1.3
57.07070	3.1
59.05001	8.5
59.81516	1.4
65.03952	2.4
67.05512	6.9
69.03423	3.6
69.07063	12.2
69.22958	12.1
71.04992	63.7
79.05486	15.6
80.05814	1.9
81.07052	48.5
82.02370	1.3
83.04955	3.3
83.08609	2.2
84.07077	1.6
85.02896	2.2
85.06546	4.3
89.03915	2.4
91.05504	7.5
93.07044	24.5
93.40522	1.6
94.81107	1.3
95.01363	1.4
95.04966	5.6
95.08598	15.1
97.06525	12.4
97.10125	2.3
98.22597	3.3
99.04446	1.7
102.96845	1.5
103.05435	1.8
105.07014	10.4
107.04966	6.1
107.06077	2.8
107.08589	23.5
108.05281	4.0
109.06510	2.9
109.07938	1.4
110.03643	8.3
111.04465	2.2
111.08071	21.2
115.05476	2.6
117.03371	2.9
120.97919	1.6
121.06499	1.8
121.07644	3.9
121.10135	100.0
122.06019	3.0
122.10483	4.1
123.08080	3.1
123.11699	22.1
124.12044	2.0
125.05984	46.7
125.09620	5.9
126.06424	2.1
128.06181	8.3
129.07018	17.3
129.09164	1.7
130.06427	1.8
138.99010	1.5
139.01770	2.2
139.03906	5.5
139.11172	40.3
140.11508	1.6
141.06947	3.0
142.07796	13.8
143.08539	7.2
144.05722	2.5
145.02814	1.7
149.07051	3.2
149.09579	8.0
153.05461	30.8
154.06279	9.7
156.09315	1.7
157.06459	8.9
157.10112	15.3
163.01761	3.3
167.08363	3.3
167.10672	17.8
169.06476	4.2
170.05856	2.9
170.07260	9.5
170.10973	3.1
181.02904	3.1
185.04507	1.8
185.05978	5.6
185.08093	5.0
185.09613	35.2
185.11674	9.1
185.13264	7.9
186.05530	3.0
186.09911	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1173
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.03950	1.8
54.05813	1.3
55.01879	2.4
55.05505	5.0
57.07067	2.3
59.05006	8.1
62.60673	1.3
65.03954	1.7
67.05505	6.5
69.07068	12.2
71.04993	59.0
71.30172	1.7
73.02888	1.9
73.43317	1.3
79.05489	17.2
81.07056	49.5
81.07523	3.0
83.04978	4.6
83.08613	3.4
85.02878	1.8
85.06587	1.5
87.03599	1.5
91.05469	5.7
93.07037	23.8
93.07613	1.9
95.01329	2.0
95.04996	2.8
95.08608	16.2
97.06538	10.5
97.10157	2.0
98.06062	1.4
101.02384	1.7
104.42485	1.7
105.07021	8.5
107.04958	5.5
107.08570	16.9
108.05303	4.5
109.02885	1.7
109.06510	4.7
110.03658	8.8
111.04431	2.4
111.08083	15.4
114.51476	1.3
115.05426	2.2
119.01936	1.5
119.06075	1.5
121.00819	1.9
121.06546	1.6
121.07644	3.2
121.10141	100.0
122.10493	4.2
123.08057	4.1
123.11710	26.2
125.05991	39.5
125.09620	8.2
128.06239	5.4
129.07007	15.9
131.08514	1.4
139.03877	6.9
139.11186	40.9
141.07025	4.0
142.07793	12.0
143.08565	6.9
144.05737	3.9
149.07135	3.6
149.09653	8.4
153.05453	32.6
154.06282	11.3
155.03436	2.4
155.08575	1.7
157.06483	9.6
157.10120	15.5
163.01875	2.3
167.08301	2.6
167.10649	16.0
169.06470	4.0
170.05878	2.0
170.07225	9.4
170.10928	2.8
181.02896	4.4
185.04468	1.9
185.06009	3.6
185.08115	5.7
185.09627	37.3
185.11696	9.7
185.13295	9.1
186.07581	2.0
186.10007	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1173
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
52.47577	0.6
53.03942	1.1
54.34870	0.6
55.01854	0.6
55.05503	1.2
59.04998	3.8
63.76268	0.6
65.03938	1.5
67.05493	3.3
68.99768	1.9
69.03426	0.8
69.07053	2.1
70.33945	1.8
71.04993	18.2
75.04473	1.4
79.01840	1.3
79.05499	8.2
80.02603	0.6
80.14751	0.5
81.07062	15.9
82.04191	2.8
83.04972	2.7
91.05515	2.9
93.03405	1.9
93.07049	7.9
95.01328	9.3
95.04985	2.9
95.08617	5.0
97.06533	5.4
97.10170	0.6
97.86399	0.6
99.04422	1.0
101.06037	0.6
105.07044	3.4
107.01320	1.7
107.04918	1.0
107.08596	11.9
109.02872	1.7
109.06510	1.5
110.03664	31.1
111.04473	8.6
113.22861	0.6
114.31949	0.8
119.08554	0.8
121.06492	1.0
121.07665	0.9
121.10143	37.7
122.10485	1.5
123.00829	0.9
123.04440	1.8
123.08069	1.4
123.11717	7.4
124.05198	1.1
125.05992	90.7
125.09618	2.1
126.06355	2.5
127.03931	5.3
129.06992	0.8
138.03160	1.0
139.03902	22.2
139.09459	2.1
139.11180	13.1
140.04649	0.6
142.06281	0.7
149.07133	0.7
149.09612	6.2
153.05469	100.0
154.06259	40.6
155.03389	4.0
155.06799	2.3
162.34163	0.6
167.08998	2.0
167.10696	4.9
170.05702	4.8
181.03114	0.7
185.08109	23.8
185.11729	2.4
185.13248	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1173
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.03952	1.6
55.01878	0.9
55.05522	4.4
56.52521	0.7
57.03437	2.4
57.07060	1.4
59.04988	1.7
61.31999	0.6
65.03927	1.3
67.05509	12.5
69.03429	3.6
69.07072	10.0
69.33752	1.6
69.34159	3.3
71.04993	1.9
79.05496	35.1
81.07060	21.9
83.04977	4.3
83.08643	0.8
85.69466	0.6
87.04491	0.8
91.05479	5.9
93.03367	1.1
93.07049	57.4
94.07388	1.3
95.04988	0.9
95.08613	14.0
96.08931	0.7
97.06535	5.4
97.10187	1.2
105.07030	12.2
107.04962	1.8
107.08600	30.2
108.08958	0.8
109.06555	1.1
109.10150	3.4
111.04453	11.0
111.08080	0.9
111.11724	5.5
119.08585	2.1
121.10146	95.0
122.10489	2.8
123.08083	1.6
123.11696	3.6
125.05153	1.0
125.05994	11.6
125.09660	1.0
126.03138	1.1
128.06172	1.6
129.07031	3.3
131.08562	4.5
133.07678	1.6
139.11183	31.1
140.11536	1.1
142.07799	2.6
143.08560	3.0
149.09621	19.3
149.13272	0.9
155.08644	0.8
157.10126	4.5
162.28967	0.7
167.10681	100.0
168.11021	3.6
170.10815	1.2
185.09544	1.5
185.11736	17.6
185.13287	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0762
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
50.14582	0.7
55.01875	1.5
55.05495	1.4
56.96587	0.8
67.05518	2.7
69.03434	1.4
69.07072	100.0
69.20282	3.4
69.20707	1.9
70.06593	9.0
70.07411	2.7
72.93797	0.7
74.44649	0.7
79.05499	1.0
81.07059	1.7
83.08662	0.9
85.02940	1.0
88.02215	1.2
89.03928	2.2
95.04979	5.4
97.06529	6.7
98.06076	1.3
107.08600	1.0
109.06557	0.8
112.07604	13.2
117.03386	1.8
121.00796	2.8
121.01709	4.9
122.06030	1.7
123.04453	3.2
124.07671	0.9
126.01111	0.8
126.05505	1.7
127.01446	2.1
128.00768	4.2
130.06615	1.0
138.05495	1.0
139.01831	2.3
139.02769	1.3
140.07068	98.9
141.05499	2.1
141.07384	3.2
145.02878	1.5
155.45650	0.7
163.01826	4.3
168.06572	56.9
169.06940	2.7
181.02867	5.9
186.05684	1.1
186.07631	1.3
186.09225	0.9
186.11241	1.4
187.05653	1.1
187.07365	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0914
Annotation	PIRFENIDONE
Peak:m/z	Relative Intensity
51.76031	0.3
55.05489	0.4
56.96559	0.8
65.03938	0.4
67.05495	0.7
69.03419	0.5
69.07054	1.3
69.17944	1.3
69.18385	1.4
70.06581	0.7
71.05000	0.5
72.93781	0.8
73.74426	0.4
81.03408	0.7
81.07039	0.5
84.04497	0.7
85.02920	0.7
86.09694	0.5
88.02182	0.5
89.03906	0.8
90.94803	0.4
91.05497	1.8
93.05798	0.4
97.02881	0.5
97.06528	1.2
98.06053	0.5
98.97602	0.4
103.00626	1.2
103.05471	1.5
105.06993	0.4
108.44693	0.4
112.02151	0.6
112.07605	0.9
115.05452	4.0
116.06223	1.0
116.98609	0.4
117.03378	1.0
117.05798	0.5
117.07018	2.0
118.06549	0.5
119.01894	1.0
120.02012	0.6
120.04429	0.4
121.00777	1.3
121.01654	7.2
121.02528	0.5
122.06040	2.3
126.05501	1.1
128.06207	0.7
129.06990	2.3
130.06526	3.4
131.04913	1.3
131.07468	0.6
131.08569	5.6
131.97392	0.6
133.05209	0.6
137.02980	0.6
138.05496	1.1
139.01779	1.5
139.02724	2.7
140.07065	1.8
141.06978	7.7
142.06519	1.1
143.07277	4.2
144.03276	1.0
144.04549	1.0
144.05673	7.6
144.06696	0.8
144.08130	0.4
145.06491	2.9
146.05995	4.8
150.05528	0.7
154.06509	7.2
155.05997	1.0
156.08099	3.8
157.08870	7.2
158.05992	4.2
158.07274	2.7
158.09645	7.2
159.06856	1.1
159.08051	8.4
163.01674	2.0
163.97755	0.5
166.06590	0.6
167.07362	2.1
168.06592	1.1
168.08092	6.4
169.06410	3.3
169.07632	1.7
169.08774	2.5
170.06009	12.5
171.06796	31.6
172.07198	1.0
181.02782	3.7
183.06818	0.7
184.07576	15.1
185.08325	2.7
186.09142	100.0
186.18504	0.9
187.05083	0.9
187.07469	0.9
187.09381	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.9954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46243	0.6
69.51077	0.7
70.02725	2.4
77.29237	0.6
82.60866	0.6
90.58630	0.8
98.22594	0.8
104.99272	100.0
127.57348	0.7
184.74284	0.7
186.22157	1.0
190.28648	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0753
Annotation	o-Hibiscanone
Peak:m/z	Relative Intensity
54.35637	1.0
55.01876	11.7
71.01348	18.9
71.33808	1.2
81.03407	1.6
83.01328	2.4
91.05479	60.4
92.05784	1.2
103.05444	3.7
105.07020	1.8
107.04926	1.2
115.05441	32.5
116.06256	19.1
117.07021	23.3
118.06564	1.6
118.07334	1.4
123.08111	1.1
124.88833	0.9
126.77032	0.9
128.06212	6.7
129.07004	25.7
130.07784	0.9
131.04918	16.7
131.08563	80.6
132.08914	4.4
133.06425	1.4
134.05258	1.0
139.05342	1.0
141.06982	79.3
142.07320	3.3
144.05692	26.9
145.06511	7.5
146.05951	1.0
150.47185	1.0
155.05981	2.2
157.06490	12.4
158.07263	17.5
159.08049	75.9
160.08371	3.7
166.99582	1.0
168.05623	1.3
169.06464	17.5
169.07655	3.6
187.07523	100.0
188.07874	4.6
198.59000	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82716	0.3
53.03941	0.6
55.01870	9.0
55.05511	6.6
56.05027	1.0
56.96556	0.4
57.03440	0.4
62.91158	0.3
64.61488	0.3
67.05505	2.4
69.03403	0.5
69.07067	0.5
70.06575	1.2
71.01342	1.8
71.04984	1.2
71.30591	0.5
72.08157	4.4
79.05492	2.4
81.03405	1.0
81.07057	28.2
82.06597	0.5
82.07400	0.7
83.04967	0.5
83.08617	16.2
84.04514	2.3
84.08144	2.3
85.02908	0.7
85.06541	5.0
88.02218	2.6
91.05486	8.4
92.05789	0.4
95.04958	0.4
95.08633	0.4
96.08135	0.7
98.09689	24.5
98.97581	0.5
99.04414	0.5
99.08074	0.5
99.10015	0.6
100.07627	0.4
103.03332	0.4
103.05460	1.2
104.04031	0.5
105.07013	0.8
107.08535	0.5
108.08109	4.9
109.06515	5.0
110.06028	0.9
110.06802	0.4
115.05450	4.1
115.23012	0.4
116.06255	1.9
117.07014	2.9
118.06540	3.8
123.09200	0.9
124.07594	0.9
125.07139	0.7
126.09152	41.6
127.03877	0.5
127.07564	0.8
127.09512	0.8
128.06207	1.1
129.07016	3.8
131.04919	4.0
131.08571	9.4
138.58644	0.4
141.06989	9.9
141.10258	0.5
142.06429	0.5
142.07430	0.6
143.07312	0.7
144.05698	4.2
144.08083	1.2
145.06477	0.9
145.10138	1.3
146.06010	4.0
151.08675	8.5
152.07062	0.5
157.06503	1.4
158.07280	1.9
159.04417	0.6
159.06987	0.9
159.08064	10.0
159.11731	0.7
160.07494	0.8
163.97746	0.6
169.06723	2.6
169.09721	100.0
170.06026	1.6
170.10132	2.8
170.11392	0.4
172.05128	0.5
187.03806	2.4
187.07498	11.0
187.08734	7.6
187.10832	8.1
187.14830	1.2
188.06882	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01683	0.4
55.01878	4.5
55.05507	1.2
59.04992	0.5
59.47426	0.4
65.03956	0.5
67.05504	3.1
68.61835	0.4
69.03448	0.6
69.07079	0.7
70.49081	0.4
71.30887	0.5
79.05502	3.8
81.03399	1.1
81.07057	1.1
91.05480	14.0
91.57054	0.4
92.05804	0.6
93.07055	2.5
95.04965	1.8
103.05483	2.8
103.06093	0.6
105.07027	15.2
107.04957	3.0
109.06534	0.5
114.98000	0.4
115.05447	7.6
116.06229	1.6
117.07018	34.5
118.07356	1.5
119.04961	0.6
119.08578	8.5
121.06506	2.1
122.07295	1.4
127.05409	0.5
128.05331	0.2
128.06215	8.6
129.07010	21.0
130.07817	6.3
131.04924	3.4
131.08568	27.7
132.05710	1.6
132.08946	0.7
133.06494	0.8
141.06987	6.0
142.07802	4.4
143.08565	26.8
144.05676	3.5
144.09344	19.5
144.10507	0.8
145.05359	0.9
145.06480	14.7
145.10130	22.7
146.07297	2.6
146.10432	0.5
147.07977	0.5
153.07004	1.9
154.07773	8.7
155.06039	1.8
157.06490	8.2
157.10138	5.6
158.07288	8.2
158.10921	11.3
159.08061	18.3
159.11694	38.2
160.08371	0.7
160.12024	1.5
167.08554	0.5
169.06374	0.5
169.07729	1.0
169.10121	10.6
170.10492	0.7
171.07999	2.6
172.08829	42.9
173.09250	2.0
187.11177	100.0
188.11494	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.2
55.05499	0.3
56.53277	0.2
65.03941	0.2
67.01868	0.2
67.05508	1.1
69.03423	0.6
70.61932	0.5
73.89432	0.2
76.62524	0.2
77.19610	0.2
79.05494	0.6
81.07076	0.7
83.08637	0.2
86.09706	0.5
91.05474	3.0
93.07045	0.7
95.04944	0.2
95.08636	0.3
103.05475	0.3
105.07030	6.8
107.08598	0.5
109.10205	0.2
111.08102	0.3
115.05458	1.0
116.06277	0.6
117.07008	4.7
119.08575	11.7
120.08921	0.4
125.09620	0.7
127.42125	0.2
128.06210	2.0
128.10728	0.3
129.07001	12.3
130.07849	1.6
131.08571	9.5
132.08961	0.3
133.10153	0.3
141.06995	0.6
142.07785	1.0
143.08551	2.4
144.05676	0.6
144.09340	19.5
145.06529	1.1
145.10155	4.8
146.10570	0.2
147.08006	0.8
154.07755	1.4
157.06525	1.3
157.10123	2.3
158.07251	0.4
158.10854	0.4
159.08105	1.6
159.11691	30.8
160.12024	1.5
169.10127	1.9
171.08057	0.6
172.08829	10.0
173.09332	0.4
185.09613	0.3
186.10320	0.6
187.11174	100.0
188.11522	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
57.41724	0.2
65.03930	0.3
67.05511	1.1
69.03455	0.6
71.30647	0.3
75.75905	0.2
77.03936	0.3
79.05496	1.2
79.44190	0.2
81.07053	0.4
91.05478	6.0
93.07027	0.4
95.04977	0.5
103.05468	0.5
105.07033	8.7
106.07367	0.3
109.06484	0.3
115.05449	2.1
116.06231	1.1
117.07017	5.8
119.08581	18.6
120.08970	0.4
121.06544	0.6
128.06201	1.9
129.07004	13.7
130.07817	2.6
131.04942	0.3
131.08568	13.6
132.08908	0.5
141.06999	2.9
141.89230	0.2
142.07793	1.3
143.08571	2.6
144.05673	1.5
144.09346	14.0
145.06488	2.7
145.10126	2.7
146.07254	0.9
146.10374	0.3
147.08054	1.9
148.75381	0.3
153.06982	0.8
154.07767	3.1
155.08472	0.3
157.06491	4.8
157.10098	1.3
158.07266	8.1
158.10889	0.2
159.08061	13.2
159.11690	22.4
160.08412	0.6
160.12024	1.0
167.08557	0.4
169.07751	0.3
169.10126	4.3
171.08049	2.9
172.05304	0.4
172.08830	33.3
173.09132	1.9
187.07724	3.1
187.11180	100.0
188.08505	0.3
188.11514	5.7
200.82303	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76464	0.2
53.03960	0.3
55.05507	0.4
57.07084	0.2
59.75229	0.2
65.03938	0.2
66.85235	0.2
67.05502	1.3
69.07091	0.2
69.54079	0.9
69.54448	0.4
79.05500	1.2
81.07046	1.5
83.77133	0.2
84.04507	0.6
87.98792	0.2
91.05474	3.7
93.07043	1.0
95.04932	0.3
95.08607	0.9
103.05487	0.6
105.07035	8.2
106.07402	0.2
107.08593	0.7
115.05448	1.5
116.06234	0.8
117.07027	5.0
118.07402	0.2
119.08580	12.9
120.08965	0.3
128.06215	2.5
129.07004	11.7
130.07867	2.0
131.04865	0.3
131.08569	13.0
132.08923	0.6
141.06958	0.9
142.07762	0.6
143.08568	3.6
144.05736	0.6
144.09346	20.0
145.06491	0.9
145.10141	8.5
146.10422	0.3
146.90607	0.2
147.08028	0.7
154.07776	1.0
157.06531	1.4
157.10127	2.2
158.07242	0.6
158.10852	0.9
159.08099	1.8
159.11694	30.7
160.12047	1.2
169.10141	1.8
171.08005	0.6
172.08829	11.1
172.12462	0.7
173.09216	0.5
174.07683	0.2
185.09579	0.3
186.10452	0.6
187.07793	2.1
187.11182	100.0
187.14726	8.4
188.11528	4.4
188.15190	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.6
56.07418	0.3
59.07927	0.3
60.17716	0.3
60.29751	0.3
60.39973	0.3
63.34357	0.3
67.05513	0.8
69.98838	0.9
69.99212	0.7
77.03907	0.4
79.05489	0.7
81.07057	0.6
83.08604	0.7
85.59591	0.3
88.02226	4.0
90.96235	0.3
91.05463	1.9
93.07028	0.6
95.08635	0.4
98.22848	0.7
103.05464	0.5
105.07024	5.6
105.07674	0.6
115.05476	0.8
116.06246	0.5
117.07021	4.0
119.08591	6.7
120.08910	0.4
120.41824	0.3
128.06198	2.1
129.07010	9.1
130.07858	1.6
131.08578	9.9
141.06984	3.5
142.07753	0.7
143.08588	3.5
144.09348	11.6
145.10127	10.7
146.10495	0.4
152.06219	0.4
153.06999	1.5
154.07785	9.3
155.08372	0.5
157.06493	9.8
157.10132	2.9
158.07173	0.7
158.10902	0.8
159.08095	1.6
159.11693	60.7
160.11993	2.9
167.08588	1.6
169.10135	25.3
170.10500	1.0
171.08072	3.0
172.08832	100.0
173.09186	4.5
187.11183	85.0
187.14748	9.1
188.11533	4.5
188.15147	0.4
197.10762	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1329
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
51.81294	2.3
53.52639	2.2
55.05504	9.5
56.83295	2.4
57.07082	2.7
57.27229	2.3
62.04115	2.0
67.05496	18.0
69.07063	19.7
69.36323	16.4
71.04993	30.8
79.05490	5.0
81.07055	39.2
83.08623	3.4
85.06536	14.7
90.86449	2.5
91.05486	14.0
93.07056	4.4
95.04944	2.5
95.08615	5.7
97.06534	4.8
100.75249	2.1
103.05466	9.8
105.07024	6.8
107.08568	12.9
109.06519	11.5
109.10158	100.0
110.10474	2.7
113.06007	10.9
115.05428	7.1
115.07558	5.9
116.06209	8.9
117.07001	3.9
118.06532	11.7
119.08530	3.8
119.92644	2.4
120.08107	24.0
123.11703	48.9
124.12081	3.5
127.07556	10.4
127.11198	68.8
128.06233	8.8
129.06978	9.5
131.08556	14.7
133.10043	3.5
138.84242	2.2
140.72333	2.6
141.06961	3.9
143.08575	3.6
144.05693	26.4
144.08182	3.0
145.06473	4.9
145.10117	8.1
146.06017	9.2
151.11176	8.5
156.05615	4.7
158.07193	2.6
159.06873	2.4
159.08069	32.4
159.11716	5.7
169.12221	2.9
170.06055	3.7
172.05186	11.7
172.08810	5.2
187.07483	63.8
187.11215	8.9
187.14836	9.2
188.07951	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27396	1.6
53.03947	2.3
55.05510	2.5
57.07066	2.0
59.05018	1.5
61.83864	1.7
67.05503	12.4
69.07069	40.9
70.88975	2.8
71.04974	6.9
79.05470	8.0
81.07053	14.8
84.04498	2.4
85.06554	2.0
86.09704	2.5
90.53615	1.9
91.05484	22.6
93.07035	7.7
95.04973	1.7
95.08605	4.7
103.05427	4.9
105.07039	23.4
107.08597	12.5
109.10152	72.6
110.10520	2.8
113.06014	3.7
115.05428	5.5
116.06242	4.0
117.07021	18.3
119.08584	11.9
123.10910	1.4
123.11711	9.5
127.11203	9.3
128.06175	3.8
129.07024	9.6
130.07779	9.7
131.04930	10.7
131.07578	3.1
131.08565	60.9
132.08932	2.3
133.10149	3.2
141.06972	5.9
143.08553	7.8
144.05692	6.0
144.09341	6.0
145.06419	2.4
145.10120	100.0
146.10466	3.2
151.11150	4.2
157.10124	4.3
158.10892	2.7
159.08072	11.2
159.11688	24.4
169.10052	2.4
172.05229	3.5
172.08820	6.7
172.12508	4.3
187.07549	17.6
187.11208	19.1
187.14810	60.2
188.15210	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1329
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
55.05507	0.9
57.07083	0.5
59.04996	0.7
67.05506	10.5
68.05803	0.6
68.20772	0.4
69.07068	59.2
70.07388	1.2
71.04990	8.5
71.30394	0.7
74.60023	0.5
79.05473	1.1
81.07052	7.2
85.06528	0.8
87.76891	0.5
88.02200	0.9
91.05478	2.6
93.07058	1.8
95.04959	1.3
95.08594	2.1
96.37946	0.5
105.07028	2.7
107.08588	9.1
109.10154	100.0
110.10470	3.6
113.06007	3.8
116.06197	0.7
117.07005	2.9
119.08558	1.1
123.11702	11.7
123.12566	1.0
127.11182	8.9
128.06296	0.7
129.07039	0.9
131.08557	7.4
133.10103	2.3
143.08553	0.7
144.05675	1.2
144.09399	0.5
145.10124	6.8
146.64674	0.6
151.11185	4.5
159.06982	0.8
159.08125	0.8
159.11705	3.4
161.72385	0.5
169.12244	2.9
172.08768	0.7
187.07503	3.3
187.11183	0.6
187.14827	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1483
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03951	1.2
55.05505	3.3
57.07074	4.0
59.90216	0.5
67.05508	6.5
69.07073	3.4
69.23855	4.3
71.08624	0.5
78.95516	0.5
79.05490	8.9
81.07056	15.1
83.08612	1.0
88.02209	1.4
89.62077	0.6
91.05477	21.8
92.05807	1.1
93.07047	15.0
95.04986	1.3
95.08602	9.8
98.23334	1.2
103.05449	2.0
104.21487	0.6
104.95390	0.6
105.07030	23.0
106.07365	0.6
107.08592	12.4
109.06506	0.6
109.10173	1.3
115.05448	2.4
116.06248	2.3
117.07018	24.2
118.07319	0.8
119.07777	1.1
119.08579	16.2
121.10159	1.9
121.95654	0.6
128.06223	2.3
129.07002	8.0
130.07803	5.1
131.04907	1.0
131.08568	65.7
132.08943	2.2
133.10121	8.9
138.48131	0.5
141.06984	1.3
141.67609	0.5
143.08553	7.7
144.05711	1.9
144.09370	4.0
145.06471	3.1
145.10121	93.6
146.10413	3.8
157.06496	1.5
157.10130	5.6
158.10901	3.2
159.06978	1.1
159.08098	3.9
159.11693	31.4
160.12048	1.7
169.10152	0.6
172.05229	1.0
172.08862	1.6
172.12453	6.5
173.05969	4.9
180.69359	0.5
185.13281	1.3
187.03922	0.9
187.07501	7.3
187.11255	8.7
187.14819	100.0
188.08295	2.5
188.15189	6.9
206.45210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0705
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
70.47440	0.9
84.12663	0.3
91.05473	4.9
91.82388	0.3
95.78218	0.4
103.05464	0.7
106.00011	0.3
115.05437	5.8
116.06233	0.5
117.05738	1.3
117.07009	5.4
118.06535	76.8
119.06882	2.3
132.08102	0.7
142.06511	6.4
143.07298	12.5
144.04437	0.8
144.08076	25.9
145.06456	0.5
145.08411	0.9
146.05997	100.0
147.06332	3.5
155.06042	1.2
160.07573	0.8
170.06009	9.2
171.06451	0.4
188.07056	20.3
189.07443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
55.05513	0.4
55.55857	0.3
57.07074	1.7
66.34454	0.2
66.96384	0.2
67.05486	0.3
70.52135	0.3
70.67798	0.6
72.04514	0.3
75.09086	0.2
79.05505	0.4
81.07066	0.3
84.04504	1.6
86.06071	1.0
86.09706	100.0
87.10031	2.0
91.05489	3.3
103.05483	0.8
105.07037	2.8
107.04961	0.9
115.05468	1.0
116.06224	0.5
116.10722	1.1
117.06996	0.9
118.04222	0.3
118.07798	0.4
119.04959	0.7
119.08576	0.8
121.06506	1.4
128.05360	0.5
128.06239	5.2
128.07095	0.6
128.10718	32.9
129.07004	14.7
129.11078	1.2
130.07782	0.8
131.04935	4.0
131.08572	3.2
133.06523	1.0
133.10146	0.9
141.06953	0.4
142.12279	0.3
143.08562	0.9
144.05676	0.6
145.06500	2.9
146.03616	0.4
146.07269	5.1
146.11757	16.6
147.08115	0.8
147.11925	0.3
148.05225	1.6
155.06090	0.6
157.06482	5.1
158.07259	2.8
159.04402	1.1
159.08063	0.7
160.08675	0.3
161.05980	11.3
161.09621	12.5
169.07552	0.4
170.11760	15.0
171.05606	0.4
171.08080	0.6
171.12033	0.5
173.05956	1.3
174.06766	18.2
187.07718	0.3
188.07967	1.8
188.12903	0.6
189.09106	36.8
189.12724	1.1
189.16306	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0394
Annotation	(E)-3-(Methoxycarbonyl)pent-2-enedioate
Peak:m/z	Relative Intensity
53.00334	1.8
55.01875	53.7
57.03436	58.1
59.05006	8.3
60.08169	9.2
61.02925	1.9
62.64248	1.6
66.18243	1.4
69.50563	6.9
70.06586	5.2
71.01357	33.6
71.04994	5.9
72.08139	2.4
73.02917	22.5
74.07215	3.1
75.04494	3.9
83.01350	10.5
84.08143	27.0
84.99268	2.6
85.02905	4.5
87.00804	2.0
87.04469	48.5
89.02405	6.7
95.01327	12.2
99.00839	1.9
101.02380	100.0
103.03954	9.1
111.00806	12.3
113.02370	8.9
115.03931	81.6
119.01930	5.1
121.01646	2.7
122.02138	1.8
126.09162	1.8
127.03933	4.3
129.01833	30.4
130.05002	4.7
130.08644	7.3
131.03392	1.6
139.00255	2.5
143.03398	7.9
144.13826	3.7
157.01332	81.1
158.01665	1.8
163.15088	1.5
164.94038	1.5
175.02373	3.7
189.04015	4.2
189.05988	2.2
189.16008	2.8
190.14426	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
51.02394	0.6
53.17016	0.6
55.01870	0.8
55.05495	2.0
67.05498	2.3
69.03415	3.1
69.07067	1.2
69.21480	5.1
69.21883	0.9
69.27837	0.7
77.03900	0.7
79.05495	3.6
81.07063	3.3
91.05481	25.5
93.07038	2.1
95.04945	0.9
95.08608	2.8
103.05461	4.3
104.06261	0.9
105.07030	23.9
107.04955	5.3
107.08585	3.0
109.06505	1.5
109.10179	1.4
115.05479	4.6
116.06240	2.7
117.07053	4.0
118.04165	2.3
118.07798	1.0
119.04942	7.1
119.07772	1.3
119.08577	16.3
121.06498	10.1
121.10146	0.8
128.06235	13.8
129.07008	28.1
130.07820	3.8
131.04927	17.1
131.05913	0.8
131.08577	14.0
132.05646	1.7
133.02837	1.3
133.06509	5.7
133.10130	12.1
135.08026	1.1
141.06967	1.6
143.08569	4.6
144.05693	3.5
145.06490	6.3
145.10136	6.2
146.03624	1.3
146.07268	22.2
146.10860	1.0
147.04399	1.7
147.08067	5.5
147.11673	9.4
148.05191	12.6
149.09630	2.0
155.05997	2.0
156.09343	9.7
157.06496	7.5
158.07315	1.2
159.04433	2.2
159.08069	4.3
159.09227	1.0
159.11665	1.9
160.05196	2.1
160.08865	2.8
161.05984	73.0
161.09618	84.2
161.13208	5.2
162.06316	2.0
162.09940	3.2
171.08020	2.0
171.11681	12.2
173.05981	1.7
174.06764	16.6
174.10358	4.4
189.09103	100.0
189.12727	28.5
189.16359	9.1
190.09431	3.9
190.13037	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.05501	0.7
67.05499	0.5
70.83535	0.8
79.05478	0.6
81.07053	1.1
91.05477	10.0
91.77314	0.5
93.07023	1.0
95.08595	0.7
103.05466	2.0
104.06275	0.5
105.07018	5.9
107.04942	1.9
110.56351	0.5
115.05436	1.7
116.06231	1.4
117.07008	1.2
118.04184	0.4
118.07865	0.5
119.04926	1.8
119.08588	2.6
121.06508	2.6
128.06223	15.4
129.07010	41.7
130.07727	1.6
131.04926	8.3
131.08562	8.4
131.09485	0.6
132.05699	1.0
133.06517	0.8
133.10135	2.8
141.06978	0.8
143.08528	1.6
144.05649	1.4
145.06483	4.3
145.10158	0.7
146.03609	0.6
146.07266	11.1
147.04381	0.7
147.08035	1.5
147.11655	1.3
148.05194	4.0
155.06056	2.5
157.06491	17.0
158.07280	8.8
159.04439	3.9
159.07939	1.6
160.08751	0.9
161.05978	21.4
161.09615	27.1
161.13214	0.8
162.06322	0.7
162.09892	1.1
171.08061	1.3
173.06004	1.0
174.06767	57.4
175.07060	3.2
189.09105	100.0
189.16405	1.3
190.09435	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.05501	7.4
59.04996	2.4
65.03922	2.6
67.05521	7.9
69.03419	4.8
69.07069	16.5
71.29890	1.3
71.30335	2.1
79.05501	8.4
81.07059	9.4
83.04997	2.1
91.05489	21.0
93.07048	15.3
95.04961	4.3
95.08612	7.8
98.23203	1.6
102.80109	1.2
103.05465	3.3
105.04520	1.9
105.07034	57.1
107.04967	1.6
107.08586	13.6
109.06530	1.7
109.10194	1.6
115.05422	2.6
117.07031	9.9
119.04941	4.0
119.08585	63.3
120.03721	1.2
121.06509	4.6
121.10128	4.1
128.06224	20.4
129.07022	20.2
130.07774	3.4
131.08580	10.9
133.06476	7.4
133.09195	2.6
133.10130	26.5
141.06990	13.2
142.07799	8.4
143.08563	49.5
144.08984	2.2
145.06494	2.8
145.10130	22.7
146.10857	2.2
147.08047	29.4
147.11676	21.7
149.02287	1.5
155.06068	1.5
155.08575	2.3
156.09348	51.0
157.07605	1.5
157.09683	2.4
159.08054	5.7
159.11679	7.5
160.08832	3.9
161.09622	5.6
161.13261	28.9
171.11688	39.7
172.11995	3.9
174.10417	10.0
189.09216	3.3
189.12746	100.0
189.16348	15.8
190.13104	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.05501	7.4
59.04996	2.4
65.03922	2.6
67.05521	7.9
69.03419	4.8
69.07069	16.5
71.29890	1.3
71.30335	2.1
79.05501	8.4
81.07059	9.4
83.04997	2.1
91.05489	21.0
93.07048	15.3
95.04961	4.3
95.08612	7.8
98.23203	1.6
102.80109	1.2
103.05465	3.3
105.04520	1.9
105.07034	57.1
107.04967	1.6
107.08586	13.6
109.06530	1.7
109.10194	1.6
115.05422	2.6
117.07031	9.9
119.04941	4.0
119.08585	63.3
120.03721	1.2
121.06509	4.6
121.10128	4.1
128.06224	20.4
129.07022	20.2
130.07774	3.4
131.08580	10.9
133.06476	7.4
133.09195	2.6
133.10130	26.5
141.06990	13.2
142.07799	8.4
143.08563	49.5
144.08984	2.2
145.06494	2.8
145.10130	22.7
146.10857	2.2
147.08047	29.4
147.11676	21.7
149.02287	1.5
155.06068	1.5
155.08575	2.3
156.09348	51.0
157.07605	1.5
157.09683	2.4
159.08054	5.7
159.11679	7.5
160.08832	3.9
161.09622	5.6
161.13261	28.9
171.11688	39.7
172.11995	3.9
174.10417	10.0
189.09216	3.3
189.12746	100.0
189.16348	15.8
190.13104	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.9
69.03426	5.9
71.09231	2.5
79.05501	1.7
81.07035	1.9
83.04961	1.1
85.84753	1.1
91.05479	8.9
93.07043	2.4
103.05462	0.9
104.52053	0.9
105.07034	15.7
107.08588	3.3
109.06541	1.5
115.05421	2.0
117.07005	4.4
119.08571	27.6
121.06511	1.9
121.10110	2.1
128.06190	4.0
129.06999	4.4
130.07764	4.6
131.08562	8.5
133.06479	2.5
133.10100	9.6
135.08040	1.6
141.06982	9.5
142.07753	1.2
143.08516	6.6
144.09300	1.9
145.06509	1.4
145.10110	17.8
146.10858	1.3
147.08017	9.5
147.11678	24.6
148.12004	1.6
155.08521	2.6
156.09341	56.5
157.09709	3.5
159.08058	10.5
159.11661	12.1
160.08810	2.9
161.05948	1.9
161.09607	5.4
161.13234	5.3
171.11678	59.9
172.12029	3.0
173.09595	1.3
173.31108	1.0
174.06671	1.1
174.10410	19.9
175.10825	1.3
189.09128	3.4
189.12740	100.0
190.13055	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.9
60.34852	1.3
69.03426	6.0
71.09957	2.2
77.27235	1.3
79.05505	1.8
83.69646	1.2
83.90971	1.3
91.05460	7.8
93.07028	1.6
95.08607	2.5
101.48224	1.4
105.07020	21.3
107.08569	3.6
115.05435	2.6
117.07023	5.2
119.08578	30.7
120.08982	1.6
121.06493	1.5
121.10132	1.8
128.06212	5.3
129.07016	5.5
130.07774	6.8
131.08559	9.7
133.06471	2.1
133.10132	10.0
141.06969	11.3
142.07732	1.6
143.08551	8.2
144.09283	2.5
145.06528	2.1
145.10132	22.8
146.57442	1.4
147.08052	8.6
147.10605	2.7
147.11687	32.5
148.12001	1.8
155.08549	3.9
156.08046	2.6
156.09346	55.3
157.09694	2.5
159.08037	10.4
159.11716	9.2
160.08807	2.1
161.09717	3.1
161.13275	4.0
171.11688	56.8
172.12033	2.9
174.06778	2.4
174.10353	14.5
175.37625	1.4
189.09117	4.2
189.12744	100.0
190.13115	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.7
65.03953	0.9
67.05486	1.6
69.03428	1.9
69.07067	1.0
69.46681	1.4
69.47081	3.3
79.05479	1.8
81.07061	2.5
91.05481	16.6
93.07053	2.4
95.08604	2.0
103.05444	2.5
105.07026	16.8
107.04978	1.9
107.08590	2.2
109.10182	1.0
115.05424	4.1
116.06239	1.9
117.07006	5.3
119.04938	3.5
119.08591	15.7
120.04456	0.9
121.06472	4.5
121.10095	1.2
128.06227	21.2
129.07008	44.9
130.07851	4.5
131.04919	12.1
131.08580	12.7
132.05746	0.9
133.06493	3.3
133.10146	8.3
141.06992	3.7
143.08595	7.1
144.05687	1.8
144.09276	1.1
145.06497	5.9
145.10121	9.9
146.03572	0.9
146.07280	14.8
147.08116	4.0
147.11688	14.0
148.05211	4.9
149.09587	1.1
155.06070	2.2
156.05792	0.9
156.09340	19.2
157.06491	19.6
157.09634	0.8
158.07246	7.1
159.04424	3.3
159.08076	5.7
159.11731	4.4
161.05981	29.1
161.09616	39.2
161.13223	2.8
162.06383	1.0
162.09984	2.4
171.08023	3.0
171.11700	22.2
172.12047	1.1
174.06767	56.5
174.10406	3.5
175.07114	3.2
189.09105	100.0
189.12720	36.7
189.16386	4.2
190.04994	0.9
190.09436	5.2
190.13091	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01872	1.5
55.05494	3.0
65.03914	0.9
67.05492	3.0
69.03419	6.3
69.07066	3.9
71.29662	0.9
79.05492	4.8
81.07051	6.0
83.04974	1.1
83.91323	0.8
91.05480	16.0
93.07039	4.4
95.04940	2.7
95.08598	5.2
103.05440	2.4
103.11628	0.8
105.07024	28.8
106.93355	0.8
107.04993	1.2
107.08595	6.4
109.06535	1.0
109.10163	1.2
110.04509	0.8
115.05444	3.2
116.06264	1.2
117.07021	6.6
119.04948	1.8
119.08573	36.4
120.04480	0.9
120.08904	1.0
121.06484	2.1
121.10118	2.8
128.06226	11.6
129.07005	16.2
130.07776	4.9
130.83395	0.7
131.04898	3.0
131.08568	13.1
133.06499	3.8
133.10126	18.5
133.66151	0.8
135.08066	1.5
138.04456	0.9
141.06990	10.0
142.07741	2.4
143.08557	10.4
145.06477	4.4
145.10110	18.9
146.07254	3.4
146.10843	2.8
147.08055	13.3
147.11681	29.5
148.12029	1.6
152.03152	0.8
155.08534	2.4
156.09344	39.3
157.06477	5.9
157.09677	2.7
158.07262	1.8
159.08061	10.8
159.11700	7.7
160.05151	3.7
160.08841	4.3
161.05980	11.3
161.07230	1.4
161.09612	12.7
161.13240	10.1
162.05473	2.0
171.08093	1.8
171.11682	46.5
172.12054	2.0
173.09569	1.1
174.06772	12.5
174.10396	13.2
175.10765	1.0
187.11327	0.9
189.05379	1.7
189.09113	31.5
189.12727	100.0
189.16293	11.1
190.09515	2.0
190.13100	4.8
190.59238	0.8
191.60710	0.9
196.65686	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
51.31654	0.9
55.05508	10.4
55.07783	1.0
56.77681	1.2
57.07085	2.1
65.03920	1.4
67.05502	14.4
67.86242	1.2
69.07074	14.4
71.30336	1.7
77.87512	1.2
79.05488	11.0
81.07057	33.1
82.07380	1.2
83.08619	4.4
90.10294	1.1
91.05478	30.6
93.07042	19.0
95.04971	1.1
95.08608	46.1
97.10162	1.2
103.05447	1.3
105.07030	66.1
106.07366	1.8
107.08595	24.5
109.10153	12.1
117.06998	4.0
119.08581	65.6
120.08862	1.2
121.10152	11.1
123.11694	2.2
128.06267	1.6
128.53955	1.2
129.07005	2.4
130.29869	1.0
131.08540	8.6
133.06509	1.3
133.10129	85.1
134.10493	2.4
135.11681	1.6
143.08574	2.8
145.10127	9.3
146.07249	2.6
146.10876	3.5
147.08075	2.3
147.11681	43.6
159.11685	3.9
160.12460	2.0
161.09615	3.1
161.13254	16.0
165.03233	1.2
171.11725	1.7
174.06700	1.5
174.14049	1.7
189.09093	6.0
189.12764	9.3
189.16382	100.0
190.16728	4.5
206.26367	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03943	0.8
55.05510	7.3
57.07074	0.9
67.05505	10.0
69.07075	5.9
77.03917	0.7
78.78671	0.6
79.05492	7.4
81.07057	30.1
83.08627	2.9
84.33351	0.7
91.05484	16.2
91.06079	0.9
93.07050	13.7
94.07401	0.6
95.08608	50.2
96.08932	1.3
105.07031	50.4
106.07342	1.3
107.08591	17.4
109.06548	0.9
109.10163	12.7
115.05416	0.9
117.07007	2.3
119.08579	100.0
120.08892	2.3
121.10130	6.1
128.06224	1.9
129.06999	1.1
131.08565	6.3
133.10132	54.2
134.10512	2.2
143.08571	1.6
145.10133	4.9
146.10878	3.0
147.08018	1.1
147.11688	33.4
147.17532	0.7
148.12048	1.0
159.11668	2.0
160.08907	0.7
160.12527	1.4
161.06000	1.1
161.09595	2.2
161.13261	34.8
162.13557	1.8
171.11690	1.3
174.06688	0.8
174.14034	1.1
189.09132	4.6
189.12808	6.0
189.16386	72.5
190.16711	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1639
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
51.02381	0.8
53.03931	1.6
55.05512	7.9
57.07071	2.0
57.23986	0.7
65.03929	1.0
67.05505	14.6
69.03445	0.7
69.07068	8.7
73.19556	0.7
79.05492	9.4
81.06579	1.7
81.07059	35.6
83.08626	3.4
91.05480	22.1
92.05816	0.8
93.07043	19.2
94.08325	0.7
95.05020	1.1
95.08608	54.0
96.08966	0.9
97.10139	1.1
97.79855	0.7
103.05444	1.1
105.07032	71.0
106.07371	1.1
107.04922	1.0
107.08596	25.3
109.10161	23.7
115.05478	1.8
117.07008	4.1
119.08582	100.0
120.08916	3.2
121.10147	12.4
123.11701	1.1
128.06198	2.9
129.06987	3.0
130.07828	0.9
131.08568	9.8
133.10130	76.1
134.10512	2.7
143.08582	3.8
145.10138	6.3
146.07225	0.8
146.10901	2.8
147.04453	1.0
147.07997	2.3
147.11690	42.0
148.12001	1.2
156.09392	1.4
159.11662	1.3
160.12445	1.5
161.05992	2.1
161.09621	4.0
161.13261	28.6
162.13565	1.0
171.08044	0.8
171.11728	2.2
174.06819	2.9
174.14099	1.1
189.05287	1.0
189.09087	7.8
189.12814	6.4
189.16389	90.3
190.16733	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0499
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
61.88397	0.2
70.54919	0.3
85.34839	0.2
89.03908	1.0
116.04191	0.2
116.04981	3.7
117.05324	0.1
132.33502	0.1
133.10136	0.2
134.06023	0.5
144.04419	1.8
146.05998	0.4
162.05496	100.0
163.05847	4.1
168.18919	0.1
173.07074	0.4
174.05643	0.2
190.04987	31.7
191.05345	1.2
191.08150	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.126
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99084	0.9
53.00822	0.3
55.05513	0.6
57.07078	25.4
59.99114	5.4
62.99080	0.5
67.05522	0.3
67.29739	0.3
69.25871	2.2
78.00156	40.5
79.05505	0.4
81.07066	0.4
84.08146	0.8
86.09708	10.0
86.10242	0.6
88.02190	0.4
91.05505	0.5
92.01698	0.9
93.07048	0.4
95.08590	0.9
103.05466	0.6
105.07037	1.0
106.07372	0.4
107.08601	0.7
109.10174	0.4
115.57629	0.3
116.05325	0.9
118.94302	0.3
119.08553	0.4
120.08983	0.3
131.04930	0.6
131.89136	0.3
134.06352	47.9
135.06674	0.9
135.11713	0.8
146.06052	0.7
148.05168	0.4
148.07880	3.1
148.85504	0.3
149.02318	0.4
149.09509	0.4
162.05489	2.6
163.07565	0.8
173.07121	0.7
177.89539	0.3
190.12605	100.0
191.10715	0.6
191.12912	3.2
191.14372	0.5
191.17958	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0702
Annotation	Oospolactone
Peak:m/z	Relative Intensity
53.03935	0.8
55.01862	1.1
55.05508	1.4
56.96548	0.3
65.03928	0.6
67.05510	1.6
68.99769	0.5
69.03423	2.3
69.07055	1.0
69.72518	0.9
76.64336	0.3
77.03886	0.3
79.05493	4.1
81.07059	1.5
83.01335	0.4
83.04977	3.8
83.08608	0.6
91.05475	17.2
92.05804	0.3
93.07027	4.1
95.04961	1.2
95.08604	2.1
96.24788	0.3
97.06535	0.4
98.23279	0.3
103.05456	2.7
104.06215	0.9
105.03417	0.3
105.04538	0.3
105.07023	4.6
107.04960	2.7
107.08589	8.7
108.08939	0.3
109.06503	1.3
109.10139	1.2
115.05453	6.6
116.06225	0.5
117.07010	14.7
118.04164	0.6
118.06555	0.4
118.07334	0.4
119.06048	0.4
119.08575	11.9
119.26366	0.3
120.05701	0.4
121.06499	3.9
121.10116	2.3
123.08074	0.6
128.06203	1.0
129.07059	1.6
130.07733	0.7
131.04910	2.6
131.08562	3.5
132.05710	11.0
133.06474	0.3
133.10107	1.9
134.05995	1.3
135.08043	13.1
135.11682	2.2
136.08369	0.5
143.08527	0.5
145.06471	6.2
145.10112	2.8
146.05988	2.0
146.06999	0.4
147.08043	4.4
147.11650	0.9
148.05179	1.2
149.01265	0.4
149.05984	3.5
149.09583	1.9
149.13228	1.0
155.06012	0.9
158.10898	1.2
159.08102	0.4
162.04291	0.3
162.05489	6.3
163.06076	0.4
163.07524	8.2
163.08908	0.5
163.11208	0.9
163.14793	0.6
164.07901	0.4
173.05907	1.2
173.07126	1.3
173.09630	1.0
173.13258	2.3
174.05499	1.5
176.04683	0.7
176.11957	0.4
191.07013	100.0
191.10585	3.1
191.14273	9.0
191.17949	1.1
192.07358	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0817
Annotation	10476-41-2
Peak:m/z	Relative Intensity
50.88498	0.3
54.94556	0.3
55.01823	0.3
56.03799	0.3
56.96513	0.5
57.17912	0.3
58.06547	0.3
59.31144	0.3
65.03893	0.5
66.11451	0.2
67.05461	0.3
68.50293	0.2
69.07025	0.3
69.67357	1.1
69.67722	0.5
72.08103	0.3
72.93718	0.9
79.05449	0.6
81.03387	0.3
84.08102	0.5
86.06849	0.5
89.03841	0.4
90.94754	1.0
91.05490	2.0
91.48186	0.3
93.07032	0.3
95.08569	0.4
101.00823	0.3
103.00616	0.2
103.05426	0.6
105.06984	0.7
106.06570	3.3
107.08540	0.4
117.05740	0.6
117.06985	0.4
118.05826	0.4
118.06551	5.4
119.01868	0.9
119.04880	0.4
119.08506	0.5
121.06470	0.3
121.10090	0.8
122.06025	0.3
128.04892	0.5
131.00179	0.3
131.01823	0.4
131.04927	1.0
131.08562	0.4
131.97391	0.6
132.04410	0.4
132.95828	1.2
133.10097	0.9
134.06021	16.6
135.06346	0.5
135.11673	0.4
137.05920	0.4
144.04427	0.4
145.03973	0.3
145.06512	0.3
145.07607	0.9
145.10199	0.5
145.14171	0.8
146.06018	22.0
147.04388	0.3
147.06410	0.7
148.03937	0.3
149.01178	0.6
149.96089	0.8
150.96883	1.5
155.06053	2.5
156.06801	1.0
156.85013	0.3
160.03889	0.6
162.05508	100.0
163.05849	2.7
163.07417	0.5
163.08731	0.5
167.02214	0.3
167.97156	0.7
172.06340	2.2
173.07124	19.7
173.13243	0.5
174.05518	20.8
175.05882	0.7
176.04683	0.3
191.08217	12.4
191.10706	0.5
191.14470	1.2
192.06706	0.3
192.08521	0.8
194.47366	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0815
Annotation	(-)-Chrysogine
Peak:m/z	Relative Intensity
65.03927	0.3
67.65786	0.3
69.64097	1.4
79.05466	0.4
91.05459	1.9
91.24014	0.3
106.06546	2.8
116.04985	0.3
117.05756	0.8
118.06545	4.7
128.04964	0.5
132.04395	0.5
132.95828	0.4
134.06010	16.2
135.06351	0.4
144.04483	0.4
145.07678	0.4
146.06001	22.1
147.06375	0.3
155.06018	2.8
156.04396	0.4
156.06796	1.0
162.05496	100.0
163.05855	3.0
172.06326	2.2
173.07106	21.7
174.05508	20.5
174.07355	1.0
175.05855	1.0
178.16588	0.3
180.45393	0.3
191.08151	11.6
192.08482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1066
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03942	0.6
55.05502	1.8
61.34600	0.3
67.05499	1.5
69.03421	0.9
69.07066	1.4
70.51077	0.6
79.05490	2.6
81.07052	2.5
83.00977	0.3
83.01348	3.4
83.04967	1.2
83.08603	0.7
83.24079	0.3
85.02881	0.4
85.06526	0.6
85.80543	0.3
91.05476	3.9
91.94120	0.3
92.28005	0.3
93.07043	4.5
95.04968	0.7
95.08608	3.4
97.06522	0.3
97.10183	0.5
101.36831	0.3
103.05483	0.4
105.04467	0.3
105.07027	7.3
106.07375	0.5
107.04917	0.9
107.08588	5.5
109.06522	1.1
109.10146	3.0
111.04436	9.3
111.05202	0.5
115.05434	0.7
117.07025	2.8
119.08578	2.9
121.06497	3.4
121.10138	3.3
122.07247	0.6
123.08069	4.2
123.11738	0.5
129.06982	1.1
130.07794	2.7
131.00154	0.3
131.04875	0.4
131.08574	3.2
133.06488	1.0
133.07544	0.4
133.10143	1.7
135.04453	0.6
135.08046	19.4
135.11668	5.1
136.08363	0.8
137.05908	0.4
143.08580	0.7
145.10114	12.5
146.10335	0.4
147.04369	0.4
147.08009	0.9
147.11690	1.2
148.07547	0.3
148.08736	0.6
149.05971	0.6
149.09602	1.6
149.13269	0.9
151.07507	1.3
155.08521	1.5
158.07260	3.5
159.08006	0.6
161.05969	6.7
162.05495	0.5
163.07539	1.2
163.11179	18.6
164.11574	0.4
173.09612	14.2
173.13182	1.4
175.07532	1.2
176.08321	23.1
177.08650	0.8
191.10660	100.0
191.17915	2.2
192.10985	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1067
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03944	3.7
54.08961	1.1
55.01861	3.6
55.05515	11.6
56.96543	1.3
57.03418	2.2
57.07061	1.5
58.57612	0.9
65.03938	1.7
67.05515	10.4
69.03423	7.6
69.07072	6.8
70.24911	3.3
71.04980	6.7
72.93797	1.3
77.03914	2.4
79.05063	1.5
79.05498	21.4
81.07058	22.7
83.04993	7.6
83.08627	3.7
91.05481	41.6
92.05768	1.3
92.97367	1.1
93.07047	43.5
95.04969	16.2
95.08613	13.8
96.05759	1.5
97.06512	3.3
97.10165	1.6
98.22641	1.2
102.04693	1.5
103.05470	35.7
104.05785	1.3
104.63686	1.1
105.03384	3.4
105.07034	64.6
106.06577	2.0
107.04939	7.0
107.08594	36.3
109.06514	20.3
109.10157	7.5
111.02012	1.1
111.04431	2.7
115.05444	6.4
115.53465	0.9
116.06283	2.7
117.07021	25.9
118.04157	10.1
118.06541	3.7
119.04939	4.2
119.06055	1.0
119.08587	18.9
120.05741	1.5
121.06512	33.0
121.10143	26.2
123.04448	1.3
123.08041	2.2
127.07595	1.3
128.06218	3.2
129.07007	6.5
130.04146	3.0
130.07774	14.4
131.04927	21.0
131.08566	49.6
132.05458	1.8
133.02823	5.9
133.06454	3.6
133.10144	4.0
134.06021	8.8
135.04433	6.5
135.08055	21.1
135.11687	21.8
143.08582	7.4
144.05693	2.8
145.06464	4.3
145.10124	96.4
146.03621	1.3
146.06020	10.3
146.10527	2.2
147.04416	2.2
147.08041	3.5
147.11682	7.5
148.05193	16.3
149.01195	2.5
149.05969	11.2
149.09622	10.0
149.13249	4.5
155.06027	3.2
155.08566	6.3
158.07262	5.9
158.10849	2.0
159.08041	11.2
161.05994	2.7
161.09608	2.3
162.05504	52.9
163.06050	2.3
163.07547	23.8
163.11185	46.1
163.14854	1.4
172.06255	1.2
173.07254	11.2
173.09615	40.4
173.13176	5.6
174.05545	10.7
174.10025	1.4
176.04752	6.9
176.08347	3.1
191.03346	2.5
191.06924	29.1
191.10672	100.0
191.14268	15.8
191.17935	9.7
192.10962	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01863	1.5
55.05510	5.1
56.17299	0.5
57.03418	0.8
57.07059	1.2
59.05003	0.6
65.03934	0.5
67.05507	3.5
68.75164	0.5
69.03428	15.5
69.06731	0.6
69.07066	8.2
70.03723	0.8
70.04122	1.5
71.04977	1.0
79.05489	6.4
81.07064	5.6
83.04980	11.8
83.08624	2.5
85.06524	0.7
91.05484	8.6
93.07043	9.7
95.04964	1.8
95.08594	7.1
97.06510	2.2
101.74953	0.6
103.05470	2.3
104.85183	0.5
105.07024	11.7
107.04961	1.3
107.08591	33.3
108.08905	1.1
109.06513	4.0
109.10146	3.2
111.08075	0.8
115.05399	1.3
116.06235	0.9
117.06991	2.8
119.08579	10.4
121.06488	7.0
121.10139	16.9
123.08056	2.0
125.12824	0.5
129.07008	2.0
130.07800	1.1
131.04929	3.1
131.07576	0.8
131.08559	15.1
132.30666	0.5
133.06500	0.9
133.10126	15.3
135.08044	16.0
135.11682	5.1
136.08794	1.1
137.09631	0.9
143.08548	4.6
144.09381	0.8
145.10109	9.8
146.05986	0.7
147.08078	1.3
147.11685	7.1
148.08797	1.4
149.05974	0.9
149.09615	6.1
149.13260	6.7
156.09364	0.8
158.07281	0.6
158.10912	8.1
160.05103	0.7
161.09645	6.1
161.13281	0.6
162.05455	2.9
163.07542	1.8
163.11189	1.3
163.14787	2.3
171.11710	0.8
173.07100	1.2
173.09563	1.2
173.13260	18.7
174.05466	0.9
174.13583	0.6
176.04707	1.8
176.12003	2.7
191.06934	3.9
191.10805	3.1
191.14302	100.0
191.17961	2.0
192.14619	3.8
196.21283	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.29534	0.4
52.42544	0.5
53.03944	1.1
55.01870	0.6
55.05509	4.5
57.03425	1.0
57.07079	1.2
57.36203	0.4
59.04966	0.5
65.03942	0.9
66.07132	0.4
67.05510	3.0
69.03426	13.5
69.07065	7.5
70.03781	0.5
70.45708	1.2
71.04982	1.8
71.79462	0.5
78.19379	0.4
79.05494	7.4
81.07060	4.9
83.04980	10.5
83.08615	2.3
85.06545	0.7
88.37474	0.4
91.05481	9.0
93.07043	7.3
95.04964	2.3
95.08604	4.9
97.06535	2.8
98.23469	0.4
103.05460	1.5
105.07029	11.3
106.06564	1.2
107.04929	2.3
107.08591	33.3
108.08928	0.7
109.06530	3.8
109.10135	2.4
111.08096	0.8
115.05463	1.0
117.07001	2.7
118.06534	1.9
119.06041	0.7
119.08581	8.6
121.06491	7.5
121.10139	15.2
123.08070	2.2
129.07001	1.6
130.07780	0.8
131.04921	2.0
131.08568	15.4
132.05280	0.8
132.08894	0.6
133.06555	0.6
133.10127	14.1
134.06010	4.0
135.04427	0.7
135.08049	15.8
135.11650	3.0
136.08830	0.7
137.09593	1.0
143.08574	3.9
144.09344	1.5
145.06516	0.5
145.07622	0.6
145.10115	10.0
146.06001	9.8
147.08014	1.8
147.11681	6.3
148.08841	1.0
149.05942	0.5
149.09625	5.3
149.13258	7.0
155.06026	0.6
156.09344	0.5
158.10896	8.3
159.08055	1.8
160.05060	1.0
161.09598	4.0
162.05499	27.1
162.10316	0.7
163.05922	0.8
163.07533	1.7
163.11205	1.3
163.14781	2.6
172.06313	1.0
173.07137	6.8
173.09489	1.0
173.13268	18.1
174.05492	7.4
174.13605	0.9
176.04695	0.7
176.11990	1.5
191.03415	0.7
191.06960	2.0
191.08220	2.7
191.10745	4.0
191.14302	100.0
192.14688	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
55.05507	6.7
57.03437	0.8
57.07078	1.4
59.05000	0.6
65.03921	0.7
65.79200	0.5
67.05498	4.6
69.03428	18.0
69.07069	10.8
70.51868	1.9
71.04984	1.3
79.05486	8.3
81.07059	7.6
83.04981	10.8
83.08611	3.7
85.06522	2.1
88.10661	0.6
91.05478	11.5
93.07050	13.4
93.16172	0.6
95.04973	3.7
95.08608	10.7
97.06548	3.8
103.05455	2.4
103.58939	0.6
105.07030	15.8
107.04952	2.7
107.08591	31.1
109.06524	6.0
109.10156	6.6
111.08096	1.0
115.05461	1.9
116.06216	0.8
117.06953	3.0
119.08578	10.4
121.06496	8.3
121.10143	21.2
122.10504	0.6
123.08093	3.5
123.11661	0.9
128.06259	0.6
129.06995	1.5
130.07758	0.9
131.04933	1.7
131.08568	15.9
133.10130	25.2
134.10545	0.6
135.08052	16.6
135.11679	8.5
136.08833	1.5
137.09569	2.1
143.08559	6.6
144.09358	1.0
145.10132	10.8
146.06010	0.9
146.74667	0.7
147.08020	0.9
147.11682	11.3
148.08771	1.0
148.12154	0.7
149.09616	16.3
149.12149	1.1
149.13258	10.1
150.10384	1.1
158.10910	9.3
159.08147	0.8
161.09659	4.5
162.05510	1.8
163.07594	1.2
163.11192	2.8
163.14824	4.7
173.09634	1.7
173.13263	26.0
174.13593	1.2
176.12007	4.0
183.89755	0.6
191.03445	0.8
191.07002	2.7
191.10750	4.9
191.14307	100.0
192.00830	0.6
192.14731	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.01874	7.3
55.05265	1.5
55.05506	15.8
57.03425	1.6
57.07076	5.0
59.05000	2.0
61.76411	1.0
64.96142	0.8
65.03920	1.8
67.05165	1.5
67.05499	15.3
69.03440	4.9
69.07066	27.7
70.50909	1.0
71.04993	2.5
71.30428	1.2
71.60162	0.8
74.61060	1.0
77.03911	1.4
79.05487	25.5
81.03449	0.9
81.07055	32.1
83.04983	6.7
83.08615	8.8
85.06550	2.2
88.32002	1.1
91.05476	28.1
93.07042	67.2
94.07364	1.2
95.04991	4.8
95.08603	32.8
97.06520	6.0
97.10158	3.7
103.05466	6.5
105.04492	1.2
105.07028	35.8
107.04965	2.9
107.08591	85.2
108.08905	1.5
109.06509	8.8
109.10157	21.3
111.04479	1.5
111.08070	2.5
115.05471	1.9
117.07021	9.9
119.06068	1.7
119.08572	19.9
121.06503	12.8
121.10140	52.5
122.10464	1.5
123.08067	25.0
123.11705	2.8
127.07500	1.3
129.07001	3.9
130.07782	4.1
131.04918	3.8
131.08565	40.1
133.06476	1.6
133.10129	30.9
134.10536	1.1
135.04411	3.7
135.08055	30.1
135.10657	1.7
135.11687	35.5
137.09610	5.6
143.08568	4.3
144.09224	1.7
145.06430	1.1
145.10118	36.1
147.04399	1.1
147.08008	2.1
147.10588	1.9
147.11681	19.3
148.05156	3.5
148.08853	1.6
149.05986	3.8
149.09622	14.1
149.13252	31.5
150.13586	1.2
158.10884	7.3
159.08083	1.4
161.09644	4.8
162.05508	4.0
163.07553	3.9
163.11172	11.5
163.14801	17.4
173.09634	6.6
173.13257	52.7
174.05435	1.7
174.13588	3.0
176.04718	2.1
176.08313	3.0
176.11964	4.7
191.03474	4.6
191.07033	7.4
191.10683	27.4
191.14302	100.0
191.17929	16.0
192.10970	1.1
192.14619	4.4
206.91951	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01863	2.0
55.05509	6.8
57.03414	1.2
57.07062	2.5
63.64773	0.9
65.03923	1.8
67.05507	11.9
69.03429	9.9
69.07069	15.3
69.14654	1.2
69.14980	7.7
69.46130	0.8
70.59642	0.8
71.04990	2.5
75.28516	0.8
77.03951	1.1
78.37302	0.8
79.05060	1.2
79.05495	12.8
81.03416	1.1
81.07063	17.5
83.04998	5.9
83.08620	6.0
85.06530	1.6
91.05482	17.4
93.07047	23.2
94.07376	1.0
95.04975	11.6
95.08608	18.6
97.06544	6.3
97.10162	1.9
103.05450	7.0
105.07027	21.8
106.07375	1.6
107.04948	2.7
107.08598	37.3
109.06529	9.7
109.10162	18.9
110.10507	1.1
111.04435	1.1
111.08063	2.1
115.05447	2.6
117.07008	5.1
118.04208	0.9
119.06093	1.1
119.08581	11.0
121.06517	17.6
121.10150	32.9
122.10456	1.6
123.04459	1.2
123.08047	6.2
128.06213	1.1
128.72984	1.0
129.06999	3.8
130.07794	2.7
131.04926	7.0
131.08569	24.2
133.06477	2.1
133.10132	22.6
133.11012	0.5
135.04387	1.1
135.08054	29.0
135.10802	1.3
135.11707	14.0
143.08557	5.1
144.09296	2.3
145.06461	1.6
145.10139	15.9
147.08070	4.7
147.11693	18.9
148.05159	1.1
148.08817	4.9
149.05966	8.2
149.09616	13.4
149.13254	11.8
150.10208	0.9
158.07291	1.5
158.10907	7.4
159.08051	1.9
161.09625	5.4
162.05547	4.0
162.06699	1.0
163.07564	2.1
163.11157	4.5
163.14838	5.4
173.07106	1.1
173.09668	4.7
173.13268	30.0
174.05537	0.9
174.13553	1.0
176.08340	1.6
176.12045	1.7
191.06996	3.6
191.10698	18.7
191.14313	100.0
191.17906	7.5
192.14696	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03942	7.0
54.46160	1.7
55.01871	3.9
55.05512	15.3
57.03401	1.8
57.07059	7.4
64.41095	1.6
65.03938	6.6
65.04264	1.8
67.05504	17.1
69.01624	14.3
69.03430	12.4
69.07073	13.5
71.05000	2.2
77.03926	1.8
79.05066	3.3
79.05495	43.3
81.07052	20.7
83.04968	9.7
83.08617	5.7
85.06547	3.6
89.56971	2.3
91.05482	93.3
93.07043	34.9
95.04993	9.4
95.08611	10.2
97.06512	4.1
98.22613	3.1
103.05473	13.6
104.71921	1.6
105.07032	100.0
106.07327	3.7
107.04925	2.9
107.08595	82.0
109.06528	10.8
109.10153	3.8
115.05466	11.4
116.06246	8.3
117.07014	36.0
118.06539	1.8
119.06086	2.7
119.08582	77.2
119.09449	3.6
120.08926	1.7
121.06508	11.6
121.10143	71.6
123.08067	6.3
123.11720	1.8
128.06241	8.9
129.07010	41.6
130.07800	16.3
131.04915	10.8
131.08568	90.2
133.06476	2.5
133.10133	24.6
134.05998	5.5
135.04420	5.9
135.08052	27.5
135.11679	5.2
138.42290	1.5
142.07768	3.4
143.08559	66.5
144.09360	18.5
145.06511	2.8
145.10124	64.0
146.06003	4.9
146.10515	3.1
147.08035	2.7
147.11679	26.6
148.12053	2.0
149.09589	13.4
149.13266	22.5
151.34795	1.9
155.06087	2.3
156.09311	3.6
157.10158	2.7
158.10915	51.7
159.04416	2.0
159.08057	3.1
161.09644	2.9
162.05502	33.1
163.03928	2.8
163.07539	6.1
163.11166	5.3
163.14821	2.2
171.11586	2.5
173.07132	6.3
173.09608	6.3
173.13261	43.4
174.05527	7.9
176.04701	10.7
176.11920	3.6
191.03386	4.6
191.06808	15.8
191.10686	15.6
191.14316	86.2
192.06532	1.8
192.14600	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03938	2.4
55.01883	1.7
55.05501	5.4
57.03431	3.8
57.07073	2.4
67.05507	10.7
69.03424	5.4
69.07075	9.4
70.66747	2.6
71.04996	4.1
79.05497	13.9
81.07065	11.5
83.04979	3.9
83.08620	7.0
90.41009	1.6
91.05484	20.1
93.07050	19.9
95.04968	5.9
95.08607	12.5
97.06524	6.4
103.05475	3.6
105.07040	45.4
106.06573	11.9
106.07203	2.5
107.04938	3.4
107.08595	40.3
109.06520	10.5
109.10176	15.7
115.05456	2.0
117.07043	8.8
118.06614	2.2
119.08589	27.8
121.06506	7.0
121.09301	2.0
121.10150	29.1
123.08070	4.7
123.11715	2.9
128.06279	1.8
129.07037	4.9
130.07780	3.6
131.04926	3.8
131.08574	43.5
132.95805	2.5
133.10136	100.0
134.06029	12.6
134.10481	2.5
135.08054	19.3
135.11646	7.8
143.08588	9.8
144.09352	4.3
145.06461	2.9
145.10127	31.6
146.05995	18.7
147.11713	13.7
148.08817	1.8
149.01201	1.6
149.09642	9.1
149.13269	27.4
149.96082	1.9
150.14957	1.8
150.96918	2.8
155.06085	2.1
158.10927	17.2
162.05511	64.4
163.05827	6.2
163.07457	2.3
163.11179	6.0
163.14850	4.6
173.07147	14.4
173.09660	3.0
173.13271	53.3
174.05519	19.8
174.13675	1.8
191.06741	2.3
191.08209	6.4
191.10637	8.3
191.14323	58.7
192.06541	3.4
192.14761	3.0
200.49477	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13392	0.6
53.03946	1.5
53.39892	0.6
55.01886	0.9
55.05510	8.7
57.03425	1.1
57.07056	2.2
59.05008	1.0
64.42175	0.7
65.03920	1.6
67.05505	10.1
69.03426	11.5
69.07068	13.0
69.42152	0.7
70.24528	2.3
71.04984	2.3
79.05485	11.0
81.07056	16.0
83.04978	9.2
83.08612	4.1
91.04903	0.7
91.05475	15.1
93.07042	20.4
95.04972	11.1
95.08607	18.9
95.38496	0.7
97.06523	9.1
103.05469	1.7
105.07027	20.6
106.06548	1.8
107.04949	4.1
107.08590	43.2
109.06509	7.9
109.10143	4.4
111.08068	2.8
115.05441	2.0
116.06271	1.0
117.06998	5.7
118.07710	0.8
119.08582	13.7
120.08904	0.8
121.06504	16.9
121.10136	35.6
122.10490	1.4
123.08070	7.0
129.07027	3.2
130.07755	2.1
131.04909	1.4
131.08559	21.1
132.08775	0.8
133.06459	2.3
133.10127	23.9
135.08041	19.6
135.11673	9.6
137.09599	1.8
143.06914	0.7
143.08557	4.3
144.09364	2.1
145.06456	0.9
145.10124	12.9
146.05981	1.3
147.08022	2.2
147.11676	18.5
148.08827	6.4
149.09612	64.1
149.13249	11.9
150.09937	2.5
158.10915	8.8
159.08041	1.6
160.05057	9.6
161.09624	2.0
162.05487	4.8
163.07556	1.0
163.11122	1.8
163.13557	0.8
163.14833	9.5
171.11661	0.7
172.66917	0.8
173.09517	0.9
173.13257	31.5
174.13483	1.6
176.04668	1.8
176.11943	1.7
191.06995	13.3
191.10774	5.4
191.14299	100.0
192.07632	1.4
192.14639	3.1
211.42627	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03937	2.8
55.01874	7.3
55.05265	1.5
55.05506	15.8
57.03425	1.6
57.07076	5.0
59.05000	2.0
61.76411	1.0
64.96142	0.8
65.03920	1.8
67.05165	1.5
67.05499	15.3
69.03440	4.9
69.07066	27.7
70.50909	1.0
71.04993	2.5
71.30428	1.2
71.60162	0.8
74.61060	1.0
77.03911	1.4
79.05487	25.5
81.03449	0.9
81.07055	32.1
83.04983	6.7
83.08615	8.8
85.06550	2.2
88.32002	1.1
91.05476	28.1
93.07042	67.2
94.07364	1.2
95.04991	4.8
95.08603	32.8
97.06520	6.0
97.10158	3.7
103.05466	6.5
105.04492	1.2
105.07028	35.8
107.04965	2.9
107.08591	85.2
108.08905	1.5
109.06509	8.8
109.10157	21.3
111.04479	1.5
111.08070	2.5
115.05471	1.9
117.07021	9.9
119.06068	1.7
119.08572	19.9
121.06503	12.8
121.10140	52.5
122.10464	1.5
123.08067	25.0
123.11705	2.8
127.07500	1.3
129.07001	3.9
130.07782	4.1
131.04918	3.8
131.08565	40.1
133.06476	1.6
133.10129	30.9
134.10536	1.1
135.04411	3.7
135.08055	30.1
135.10657	1.7
135.11687	35.5
137.09610	5.6
143.08568	4.3
144.09224	1.7
145.06430	1.1
145.10118	36.1
147.04399	1.1
147.08008	2.1
147.10588	1.9
147.11681	19.3
148.05156	3.5
148.08853	1.6
149.05986	3.8
149.09622	14.1
149.13252	31.5
150.13586	1.2
158.10884	7.3
159.08083	1.4
161.09644	4.8
162.05508	4.0
163.07553	3.9
163.11172	11.5
163.14801	17.4
173.09634	6.6
173.13257	52.7
174.05435	1.7
174.13588	3.0
176.04718	2.1
176.08313	3.0
176.11964	4.7
191.03474	4.6
191.07033	7.4
191.10683	27.4
191.14302	100.0
191.17929	16.0
192.10970	1.1
192.14619	4.4
206.91951	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
50.59973	2.2
53.03942	4.0
53.93874	2.3
55.05512	36.2
57.07072	5.3
65.03963	3.0
66.32143	2.3
67.05501	22.5
67.44602	2.6
69.07069	45.7
70.22112	2.0
73.18598	2.5
76.00312	2.6
79.05492	22.8
81.07058	41.5
83.08607	31.9
91.05492	14.7
93.07042	64.3
94.07419	3.6
95.08604	59.8
96.55962	2.5
97.10185	19.0
97.10737	4.0
105.07039	13.4
107.08594	83.8
108.08933	3.0
109.06519	3.3
109.10154	54.7
109.32700	2.5
117.06998	2.9
119.08581	6.6
121.10139	100.0
122.10512	3.3
123.08179	2.7
123.11717	10.7
131.08537	5.2
133.10152	4.3
134.06017	4.1
135.08153	3.3
135.10660	5.3
135.11694	98.0
136.12041	2.6
145.10181	3.9
146.06024	12.5
147.11737	2.9
149.09631	3.8
149.13278	19.1
162.05513	35.1
163.06241	4.7
163.14890	2.9
173.07175	5.3
174.05513	7.0
176.12045	2.7
187.20187	3.0
191.08276	2.4
191.10672	3.5
191.14297	24.2
191.17941	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03941	4.5
55.05512	34.4
57.07060	4.8
61.94498	1.2
62.02545	1.3
63.22660	1.1
67.05505	33.1
68.28256	1.1
69.03416	5.4
69.07064	25.3
70.40812	1.2
70.64252	2.4
70.64616	1.9
71.04971	1.3
71.08617	1.2
72.57447	1.2
77.03867	1.3
79.05492	37.3
81.07059	61.8
83.04981	2.6
83.08624	17.7
91.05474	15.4
93.07043	75.0
94.07394	2.1
95.04970	3.7
95.08607	100.0
95.35885	1.1
96.08946	3.1
97.06509	6.8
97.10154	10.7
97.58960	1.1
101.34689	1.0
103.05478	8.9
105.07018	15.3
107.08596	79.7
108.08929	3.7
109.06519	9.4
109.10158	61.2
111.11693	2.8
117.07034	3.4
118.94116	1.5
119.08572	7.8
121.06529	8.3
121.10141	71.3
122.10463	2.1
123.04462	1.7
123.08065	3.6
123.11705	9.9
129.06984	1.7
130.07747	1.8
131.04938	13.9
131.08577	10.8
133.10126	7.8
135.08072	16.7
135.11693	88.0
136.12057	2.6
143.08508	2.9
145.06485	2.0
145.10117	11.1
147.11681	4.3
148.05202	2.6
149.05971	13.4
149.09622	7.8
149.13255	20.9
156.78238	1.3
158.10881	4.0
161.09610	1.4
162.05499	4.0
163.04034	1.1
163.07545	2.4
163.11157	3.6
163.14854	6.3
171.84741	1.2
173.09714	5.5
173.11842	2.4
173.13254	17.5
174.13651	1.6
176.04645	3.7
176.08276	1.8
191.07043	7.7
191.10672	18.9
191.14296	38.1
191.17947	57.9
192.14615	1.7
192.18361	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03951	2.3
55.01853	0.8
55.05512	30.4
57.07080	8.4
65.03956	1.8
67.05504	29.7
68.05840	0.9
69.03404	1.5
69.07068	48.1
70.89205	1.8
71.05000	1.5
71.08641	1.5
77.03943	0.9
79.05494	31.6
79.66452	0.8
81.07057	47.2
82.07384	1.6
83.04990	1.4
83.08620	23.5
89.17598	0.9
91.05473	21.6
92.05811	1.0
93.07043	79.4
94.07373	3.4
95.04961	2.9
95.08605	67.6
96.08971	1.7
97.06545	1.7
97.10165	14.5
103.05462	2.9
104.58479	0.9
105.07027	20.3
105.07674	1.7
107.04944	2.0
107.08595	100.0
108.08924	2.3
109.06528	4.3
109.10153	76.3
110.10477	2.2
111.11714	2.1
115.05447	1.0
117.07031	3.7
119.08566	7.9
121.06509	4.4
121.10139	86.1
122.10481	2.5
123.08046	1.4
123.11700	11.1
129.06918	1.4
130.07765	1.1
131.04930	1.8
131.08553	10.7
133.06544	1.1
133.07559	1.4
133.10123	10.2
134.01900	1.1
134.06029	1.3
135.08080	7.9
135.11693	98.4
136.12057	3.5
137.09549	1.1
143.08604	1.4
145.10112	10.3
146.05995	1.4
147.08066	2.1
147.11697	4.9
149.05945	2.1
149.09622	7.7
149.12141	1.9
149.13260	22.2
150.64066	0.9
161.05927	1.5
161.09671	1.2
162.05476	4.9
163.07599	2.9
163.11197	4.9
163.14828	4.0
163.75468	1.0
173.07190	1.1
173.09599	6.3
173.13258	6.3
174.05582	1.3
176.08350	1.9
191.03450	1.3
191.07054	3.6
191.10660	23.1
191.14330	19.9
191.17963	69.0
192.11000	1.1
192.18269	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0768
Annotation	Carbendazim
Peak:m/z	Relative Intensity
54.87570	0.1
65.03943	0.2
67.05489	0.2
67.66722	0.1
69.00919	0.1
70.57069	0.1
71.29630	0.1
79.05495	0.4
81.07056	0.4
85.02905	0.2
91.05478	0.4
92.05035	0.5
93.07028	0.3
95.08607	0.2
99.08083	0.2
103.05465	0.1
105.04520	0.3
105.07040	1.2
106.07378	0.2
107.08622	0.2
108.08156	0.1
109.10159	0.4
110.41914	0.1
111.04444	0.1
115.05456	0.2
119.08591	0.4
120.04466	0.2
121.10179	0.2
122.10493	0.3
128.04980	0.5
132.04555	0.2
132.05573	2.6
132.08899	0.2
133.06499	0.7
133.10146	0.5
134.10475	0.2
135.05568	0.5
137.05984	0.1
137.09583	0.2
146.06021	9.8
147.06340	0.4
147.11749	0.3
149.09679	0.1
150.10019	0.1
160.05072	100.0
161.05417	2.6
165.08417	0.1
174.05533	0.5
174.13567	0.2
175.14838	0.3
192.07695	17.6
192.14651	0.4
193.05016	0.3
193.07953	0.6
193.12230	0.1
193.15819	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1383
Annotation	DEET
Peak:m/z	Relative Intensity
53.03954	0.3
54.71913	0.2
55.01873	0.7
55.05516	0.8
57.03445	0.9
64.22350	0.2
65.03941	1.9
67.05506	2.4
69.03439	0.3
70.89626	0.2
71.05013	0.4
72.04519	5.7
72.08163	0.4
79.05490	2.3
81.03423	4.9
81.06635	0.2
81.07069	1.0
83.04983	0.4
83.08621	0.8
91.05479	9.9
93.07044	1.5
94.07383	0.3
95.04974	2.2
95.08607	0.7
97.06543	0.4
100.07618	5.3
103.05437	0.5
105.07038	4.1
107.04978	0.7
107.08575	0.8
109.06527	6.5
109.10147	0.5
110.06797	0.3
115.05447	0.4
118.04159	0.5
119.04945	100.0
119.05961	3.8
119.08549	1.4
120.05251	2.6
121.06508	0.6
121.10127	0.4
129.06970	0.4
131.08577	0.4
133.06474	1.8
133.10153	1.3
134.10460	0.4
135.04480	0.3
135.08055	0.4
136.11990	0.4
137.06001	0.5
137.09616	0.9
146.10567	0.4
147.08017	0.5
147.11636	0.8
149.09602	0.4
150.06749	0.3
151.07484	0.3
157.10150	0.4
161.06035	0.5
165.09134	1.0
175.07472	0.2
175.11163	1.0
175.14803	0.4
191.08588	0.3
192.06561	0.5
192.13824	37.8
193.05000	0.3
193.08530	0.8
193.10127	0.8
193.12238	1.4
193.14174	1.4
193.15782	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	Coumaryl acetate
Peak:m/z	Relative Intensity
51.02380	0.8
53.03947	4.2
55.01877	5.1
57.03439	2.1
59.04990	0.8
64.62608	0.6
65.03944	2.4
66.04725	2.6
67.05511	2.3
71.04980	0.6
77.03937	1.1
78.04714	1.9
79.05496	38.6
81.03394	1.4
81.07067	2.3
88.07626	1.3
90.04714	2.5
91.05484	23.9
92.05783	0.7
92.06276	4.1
93.03417	1.0
93.07040	2.5
94.04216	2.4
95.04984	6.6
95.08552	0.7
97.06555	0.9
99.72694	0.7
99.96869	0.7
103.05475	26.4
104.06270	5.6
105.03440	1.2
105.04552	2.0
105.07031	100.0
106.07365	2.5
107.04957	31.4
107.08603	2.4
108.05787	1.4
109.02895	0.8
109.06542	4.4
111.04424	1.5
115.05469	7.7
117.07072	3.2
118.04164	23.7
119.04963	5.4
119.05711	0.8
119.08570	1.7
120.05740	8.4
121.06522	13.4
122.03642	2.7
122.07294	9.6
123.04428	1.1
123.08085	1.3
124.05209	3.3
125.05993	1.0
131.04962	3.9
132.05727	4.4
133.06496	73.8
133.10146	1.6
134.07317	4.9
135.04411	13.1
135.08058	12.4
135.11775	0.7
137.05977	29.8
137.09596	1.9
148.05199	6.9
149.05945	2.5
150.06764	33.1
151.07452	1.1
161.05991	1.6
165.06902	2.2
165.09123	54.2
166.09427	1.7
175.07532	1.1
177.05370	0.8
178.06248	5.6
178.07751	1.5
193.06763	1.6
193.08591	41.4
193.09885	1.8
193.12157	3.8
193.15805	1.3
194.07320	0.7
194.08980	1.8
194.11768	2.8
194.15488	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0975
Annotation	3-Hydroxy-11-norcytisine
Peak:m/z	Relative Intensity
53.03963	0.4
55.01875	0.3
57.03429	0.4
63.29472	0.3
65.03961	0.6
67.05509	0.7
69.00677	0.4
69.01015	2.6
69.03452	1.3
70.06600	0.5
73.02937	0.6
79.05518	0.7
80.05001	0.4
81.03407	0.6
81.07076	0.4
83.04980	0.9
85.02907	0.7
91.05492	0.9
93.03397	0.3
93.07059	0.4
95.04980	1.1
95.08606	0.5
95.16372	0.3
97.02901	1.7
100.02537	0.3
101.00902	0.9
103.00565	0.4
103.05469	3.3
105.07023	1.0
106.06590	0.5
107.04979	0.4
108.04562	0.4
109.10217	0.3
111.04458	0.8
118.03479	0.4
118.06586	0.4
119.01942	2.1
119.04974	0.3
119.08560	0.5
120.04453	0.3
120.08124	1.8
121.01696	0.5
122.06068	0.5
126.04603	0.5
128.04985	1.0
129.05437	0.5
130.06544	6.5
131.01920	0.8
131.04950	1.9
133.05273	2.0
133.06383	1.3
134.06024	5.1
135.11746	0.4
136.07628	0.3
137.02982	0.5
139.03955	0.4
140.07077	1.4
142.03516	0.4
142.39528	0.3
145.03473	0.7
146.06026	30.5
147.01361	0.4
147.03201	0.4
147.05049	0.7
147.06413	1.1
148.03952	17.0
148.07591	16.0
149.04323	0.5
149.06161	0.6
149.07997	0.3
157.03485	0.7
158.06024	8.5
159.04442	0.4
159.06505	0.3
161.03030	0.3
161.04752	1.2
161.05959	0.5
165.04213	0.4
166.08644	0.3
169.03488	0.7
170.02856	0.3
170.06721	0.4
171.01427	1.4
171.05005	0.3
175.08687	0.8
176.07088	100.0
177.07414	3.8
178.02512	0.3
185.03052	0.3
188.04881	0.3
189.02412	0.7
193.04985	0.8
193.09747	12.9
193.12318	0.6
194.03030	0.6
194.08141	1.1
194.09846	0.6
194.15437	0.4
199.04655	0.3
211.04462	0.4
211.06314	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03939	4.0
53.09621	1.0
55.01874	7.9
55.05513	38.7
57.03447	1.6
57.07085	2.1
59.04985	1.4
65.03948	2.2
66.04706	1.3
67.05503	20.6
69.03429	3.9
69.07066	19.6
70.88565	1.6
71.05008	5.0
79.05493	32.9
81.03417	1.5
81.07055	66.1
82.07386	1.2
83.04981	100.0
83.08609	4.3
84.05308	1.5
85.06545	4.3
90.04687	1.5
91.05475	12.8
92.52390	1.1
93.06480	1.1
93.07043	16.8
95.04973	8.0
95.08604	23.9
97.06538	4.1
103.05465	13.4
104.06261	1.1
105.07030	88.8
106.07344	3.2
107.04935	2.1
107.06880	2.0
107.08590	19.2
109.06525	23.6
109.10158	25.7
110.06792	1.1
111.08070	6.2
111.11719	2.5
115.05453	19.0
117.07016	2.2
118.04173	8.4
118.06503	1.2
119.08583	25.7
121.10133	9.7
123.08081	10.6
123.11697	7.4
125.09618	1.5
127.07550	21.1
130.06516	2.4
131.04910	5.3
131.08591	2.0
132.05687	2.4
133.06491	64.8
133.09215	2.0
133.10130	27.0
135.08032	3.6
135.11684	18.1
136.07587	3.8
137.05995	12.9
137.09610	20.2
143.05046	1.6
143.06039	6.6
145.10126	1.8
146.03587	5.7
146.06007	15.2
147.04408	4.7
147.08067	3.0
147.11667	8.5
148.07533	1.5
149.05975	2.1
149.13275	4.3
151.11177	2.9
151.14801	1.2
157.10133	1.1
158.05939	1.8
159.14734	1.0
161.05975	60.9
162.06404	3.0
165.09055	1.1
175.03902	1.3
175.11230	2.7
175.14828	27.4
176.07162	1.0
176.15283	1.5
178.06219	6.7
193.04901	2.0
193.08549	11.7
193.12253	7.4
193.15881	23.8
194.15546	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.67252	1.9
53.03944	3.1
53.62986	1.8
53.68267	2.1
55.05512	20.4
57.03425	3.4
57.07066	6.3
59.04986	3.1
61.97054	2.2
62.72873	2.2
67.05505	26.3
69.03419	4.3
69.05005	17.8
69.07065	36.4
71.04985	9.0
77.03953	1.8
79.05495	19.8
81.03406	4.4
81.07054	54.0
82.07385	1.9
83.04977	5.4
83.08628	12.7
85.06536	8.1
91.05472	19.5
93.07041	42.2
95.04963	16.2
95.08599	59.3
97.02888	2.7
97.06529	24.5
97.10155	2.3
99.08087	5.5
103.05462	3.2
105.07027	44.1
107.04922	4.0
107.08586	53.9
109.06526	40.3
109.10155	37.8
111.08088	6.6
111.11690	5.0
113.09618	3.7
115.05455	2.4
117.07003	2.5
119.08578	69.0
120.08902	2.5
121.10120	17.1
123.08047	37.1
123.11716	11.6
129.06964	2.1
131.08556	5.2
133.06488	7.8
133.10126	97.9
134.10382	2.5
135.10652	4.7
135.11684	86.6
137.09604	30.5
147.08037	2.5
147.11665	13.8
149.02359	3.0
149.13239	9.3
151.11188	6.0
152.07071	2.3
175.11234	5.2
175.14822	79.0
176.15244	3.5
193.04904	2.1
193.08641	3.1
193.12247	7.1
193.15877	100.0
194.16243	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03941	3.2
54.96067	1.8
55.05511	38.3
57.03429	2.9
57.07065	4.9
59.04996	1.5
63.11568	1.6
67.05501	27.8
68.70974	1.4
69.03423	6.1
69.07066	32.0
69.21239	3.9
69.21660	7.0
71.04999	8.7
71.65157	1.5
73.73843	1.7
75.52450	1.9
79.05491	19.4
81.07054	54.3
83.04980	80.2
83.08618	9.7
85.06525	5.4
91.05474	18.4
93.07052	32.0
94.07395	1.5
95.04958	9.3
95.08607	49.6
97.02904	2.6
97.06512	5.2
97.10198	2.8
99.08105	3.9
103.05447	3.1
105.07030	33.4
107.08591	47.8
109.06524	19.1
109.09451	3.0
109.10153	46.2
110.10478	1.9
111.08079	6.5
111.11674	2.0
113.09728	1.8
113.16470	1.6
115.05392	2.5
117.06999	2.5
119.08577	73.4
121.10135	24.4
123.08066	20.2
123.11701	15.3
125.04776	1.7
125.09637	2.1
131.08511	4.2
133.06491	4.5
133.10126	93.2
134.10445	2.7
135.08110	2.2
135.11691	65.1
136.12006	1.6
137.05957	2.6
137.09615	30.1
145.10092	2.9
146.05975	7.1
147.07988	2.0
147.11684	15.9
149.09619	2.3
149.13293	10.1
151.11148	5.2
151.14755	2.7
157.64279	1.6
157.65613	1.6
161.05959	4.9
165.16386	2.0
175.14815	100.0
176.15173	3.3
193.04941	4.4
193.08481	1.5
193.12201	4.8
193.15880	81.9
194.16258	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03927	2.1
54.32359	1.2
55.05516	19.9
57.03432	2.3
57.07065	5.9
59.04987	3.3
60.30729	1.2
60.47160	1.3
61.22943	1.2
65.84834	1.2
67.05502	31.5
69.03413	3.8
69.07065	13.5
70.24395	2.8
71.04974	3.2
74.85879	1.2
79.05486	12.5
81.03402	3.3
81.07057	36.1
83.04975	10.3
83.08635	6.9
85.06548	15.3
88.58222	1.4
91.05476	11.7
93.07040	26.4
95.04971	6.7
95.08607	38.4
97.02879	5.2
97.06532	2.9
99.07478	2.8
99.08092	41.9
105.07031	27.7
107.04995	1.5
107.08590	31.3
109.06516	9.6
109.10151	54.8
110.10480	1.6
111.08080	4.7
115.05387	1.6
117.07011	1.9
119.08577	38.2
121.10131	12.1
123.08051	9.3
123.11713	13.6
123.12577	1.8
125.09645	7.3
128.58685	1.3
131.08571	3.1
133.06485	7.6
133.10124	36.9
135.08041	2.0
135.11696	28.0
137.09616	24.0
147.04364	3.9
147.11681	8.9
149.13239	6.6
151.11186	22.7
151.14803	4.6
161.05945	4.6
165.12793	1.9
165.16333	3.3
175.11211	1.4
175.14818	23.5
193.04939	22.5
193.08632	3.2
193.12213	5.0
193.15880	100.0
194.16229	2.2
195.23199	1.4
210.20157	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03937	2.9
55.05508	10.9
57.03430	1.8
57.07063	3.7
59.04991	1.9
65.03922	2.1
67.05505	18.8
69.03422	6.1
69.07070	21.6
69.33669	8.7
71.04990	9.5
76.62450	1.2
79.05489	15.2
81.03411	3.4
81.06583	2.0
81.07061	38.7
83.04975	3.2
83.08616	8.0
85.06530	4.5
91.05482	20.2
93.07042	39.6
95.04972	9.4
95.08607	51.6
97.02887	3.0
97.06527	6.6
97.10156	2.9
99.08119	6.0
103.05428	3.0
105.07032	47.2
107.08599	48.4
108.08951	1.4
109.06512	8.4
109.09451	2.2
109.10162	28.5
111.08073	3.8
113.09616	2.3
115.05441	2.4
117.07045	3.2
119.08578	74.6
120.08923	2.2
121.10146	23.2
123.08089	12.6
123.11708	14.2
125.09632	1.6
130.06488	1.2
131.08548	4.0
133.06538	9.4
133.10130	100.0
134.10493	2.7
135.08118	1.2
135.11700	76.2
136.07582	1.4
136.12091	1.4
137.05899	1.5
137.09604	22.8
145.10164	2.5
147.11696	13.9
149.06009	1.4
149.13261	3.5
151.11148	5.4
151.14838	2.9
157.10110	1.4
161.05956	7.9
165.05501	2.5
175.14827	90.3
176.15213	3.4
193.04987	1.8
193.08614	5.0
193.12259	4.2
193.15889	73.5
194.15985	1.4
204.84074	1.2
207.20746	1.1
209.32565	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03949	3.7
54.68177	0.8
55.01874	2.6
55.05513	35.5
57.07070	2.1
59.04996	1.8
65.03953	0.9
66.16370	0.9
67.05171	1.4
67.05505	16.1
69.03422	2.2
69.07066	16.8
70.89212	1.8
71.04997	2.8
71.08603	0.8
79.05495	14.7
81.07057	43.1
83.04982	100.0
83.08616	4.2
84.05303	1.0
85.06551	3.1
89.82645	0.8
91.05481	5.9
93.07050	13.8
95.04992	4.1
95.08610	17.4
97.06542	3.5
101.59500	0.8
102.02600	0.8
105.07037	8.4
107.04962	0.8
107.07887	0.7
107.08594	13.3
109.06522	13.0
109.10155	22.4
111.08089	6.3
111.11713	2.9
119.08585	15.2
119.50173	1.0
121.10157	6.2
123.08067	8.7
123.11710	4.0
125.09676	1.4
131.08566	1.9
133.06479	1.5
133.10133	13.8
135.11684	11.9
137.09613	18.0
137.10677	1.2
145.10068	1.4
146.06026	2.1
146.39122	0.7
147.04408	4.2
147.11671	2.3
149.13254	2.0
151.05830	0.9
151.11194	2.2
151.14839	0.9
160.12512	1.0
161.05968	1.4
165.07277	0.7
165.90654	0.7
175.14809	12.8
175.16225	1.1
193.12238	1.0
193.15887	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03938	0.9
55.05512	11.6
56.84622	1.0
57.03431	1.9
57.07058	3.8
59.04993	1.6
67.05499	15.8
69.03415	2.7
69.07066	11.6
69.46636	4.8
71.04992	1.7
79.05498	5.6
81.07056	21.5
83.04971	5.8
83.08621	3.8
85.06539	9.9
91.05470	7.7
93.07043	13.1
95.04952	4.1
95.08607	21.3
97.06537	1.8
97.10205	1.2
99.08089	28.0
105.07025	10.7
107.04852	1.0
107.08596	16.0
109.06521	5.8
109.10157	36.1
111.08068	2.8
119.08578	13.1
121.06506	0.9
121.10125	7.4
123.08065	11.0
123.11703	10.6
125.09620	1.1
133.06477	1.7
133.09198	1.5
133.10124	16.6
135.11685	15.1
137.09613	17.6
137.10660	0.9
138.10370	1.6
147.11667	3.7
149.13254	3.5
151.11183	20.7
151.14751	5.0
161.05951	1.2
165.16426	2.5
167.43681	0.9
171.59544	0.9
175.11160	1.3
175.14828	11.0
193.12267	2.1
193.15884	100.0
194.16214	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.05512	11.6
56.84622	1.0
57.03431	1.9
57.07058	3.8
59.04993	1.6
67.05499	15.8
69.03415	2.7
69.07066	11.6
69.46636	4.8
71.04992	1.7
79.05498	5.6
81.07056	21.5
83.04971	5.8
83.08621	3.8
85.06539	9.9
91.05470	7.7
93.07043	13.1
95.04952	4.1
95.08607	21.3
97.06537	1.8
97.10205	1.2
99.08089	28.0
105.07025	10.7
107.04852	1.0
107.08596	16.0
109.06521	5.8
109.10157	36.1
111.08068	2.8
119.08578	13.1
121.06506	0.9
121.10125	7.4
123.08065	11.0
123.11703	10.6
125.09620	1.1
133.06477	1.7
133.09198	1.5
133.10124	16.6
135.11685	15.1
137.09613	17.6
137.10660	0.9
138.10370	1.6
147.11667	3.7
149.13254	3.5
151.11183	20.7
151.14751	5.0
161.05951	1.2
165.16426	2.5
167.43681	0.9
171.59544	0.9
175.11160	1.3
175.14828	11.0
193.12267	2.1
193.15884	100.0
194.16214	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.88623	0.8
53.03939	1.4
55.05512	14.3
57.03436	0.9
57.07082	5.3
59.04748	0.7
59.05004	4.9
65.03920	1.2
67.05505	32.4
69.03434	0.7
69.07066	10.7
69.31547	3.6
71.04994	2.2
71.08606	0.9
79.05492	9.2
81.07058	16.5
83.04978	4.0
83.08620	4.1
83.66248	0.7
85.06540	23.5
90.14826	0.7
91.05499	5.5
91.05979	1.1
93.07045	22.5
93.84869	0.8
95.04971	5.1
95.08611	18.0
97.06533	1.1
99.08092	100.0
100.08420	2.0
105.07036	7.8
107.08600	21.5
108.08920	0.8
109.06530	5.7
109.10155	64.1
110.10470	1.2
111.08073	2.8
119.08587	11.4
121.10134	6.5
123.08068	8.6
123.11705	6.6
133.09204	1.3
133.10129	16.1
135.11693	23.5
137.09613	20.9
138.10403	2.0
142.92162	0.8
144.47202	0.7
147.11688	2.0
149.13217	1.8
151.11174	10.4
151.14836	1.6
165.16393	2.4
175.14793	6.7
193.15886	62.0
194.16226	2.5
204.57979	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.9
55.01862	4.4
55.05268	2.0
55.05513	26.9
57.03423	2.7
57.07068	6.9
59.04998	6.6
59.35460	1.4
61.98087	1.3
65.03933	2.8
67.05505	54.8
69.03413	9.2
69.07070	18.8
69.38564	8.7
71.04993	8.0
75.26141	1.3
77.03928	1.7
77.22282	1.4
77.99749	1.3
79.05062	2.1
79.05493	30.3
80.66580	1.3
81.03417	11.2
81.07058	39.9
83.04974	9.0
83.08622	6.8
85.06541	41.8
91.05478	45.1
93.07044	43.6
95.04971	14.1
95.08604	38.4
97.02890	1.8
97.06527	3.5
99.04469	1.3
99.08095	86.1
102.61062	1.4
103.05465	4.7
105.03391	1.9
105.07031	76.3
107.04951	5.0
107.08590	43.1
109.06518	14.1
109.10154	80.4
110.10475	2.1
111.04465	3.7
111.08069	4.5
115.05475	4.6
117.07022	5.0
118.04162	4.9
119.04945	2.5
119.08578	57.4
120.05724	1.9
120.08898	1.9
121.06487	3.6
121.10156	22.0
122.10488	1.4
123.04441	2.0
123.08076	18.2
123.11692	10.6
125.09637	2.9
129.06979	3.3
131.04922	2.3
131.08563	5.0
133.06487	20.9
133.10127	44.9
135.04340	1.4
135.08057	4.4
135.10654	2.5
135.11693	44.3
137.05971	5.7
137.09615	31.0
137.13272	2.0
138.10355	4.5
142.07834	2.7
143.68657	1.4
145.10045	2.3
147.04459	1.9
147.08057	11.4
147.11684	47.7
148.11980	1.5
149.02292	1.5
149.05994	3.4
149.09599	4.3
149.13252	6.1
150.06755	4.2
151.10109	2.2
151.11176	15.5
151.14833	3.1
157.10156	4.1
161.06001	7.0
163.36212	1.5
165.09065	6.8
165.12772	3.6
165.16394	4.5
171.59966	1.4
175.07555	3.1
175.11201	11.7
175.14830	19.9
176.39948	1.5
178.06258	1.8
178.07784	2.2
193.04936	4.8
193.06834	2.1
193.08617	13.3
193.10258	1.9
193.12238	36.6
193.15889	100.0
194.16237	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03946	3.7
55.01866	2.8
55.05511	19.2
57.03425	3.9
57.07062	4.8
59.04990	3.0
67.05502	23.7
69.03420	2.3
69.07068	26.6
71.04987	10.2
71.30030	1.7
79.05489	23.6
81.03417	9.4
81.07055	43.9
83.04966	6.3
83.08616	12.9
85.06529	5.6
91.05480	24.8
93.07041	36.9
95.04973	11.4
95.08608	53.5
96.08943	1.8
97.06534	14.9
97.10161	2.2
99.08091	8.0
103.05464	5.1
105.04539	1.6
105.07027	56.7
107.04925	3.2
107.08589	44.2
109.06524	27.6
109.10161	37.1
111.08083	8.1
115.05460	2.1
117.07012	4.0
119.08578	63.2
121.06521	2.1
121.10142	21.6
123.08070	27.9
123.11709	16.1
125.09672	2.6
129.07040	2.6
131.08560	5.2
133.06488	15.9
133.10130	99.7
134.10442	2.9
135.11696	64.8
137.05989	4.1
137.09613	32.5
138.10361	1.9
145.10088	3.2
147.08067	4.0
147.11684	18.3
149.13243	6.3
151.11183	10.2
151.14816	4.1
157.10178	1.9
161.06033	8.1
162.06721	1.7
165.12791	2.5
165.16391	2.6
175.11337	7.9
175.14821	64.3
176.15125	2.5
189.81918	1.5
193.05000	2.4
193.08723	8.5
193.10229	1.8
193.12225	8.6
193.15880	100.0
194.16270	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03933	3.9
55.01867	3.4
55.05509	29.4
57.03425	2.5
57.07061	7.6
59.05012	3.7
63.04952	1.6
65.03928	4.1
67.05170	3.1
67.05504	38.9
69.03436	15.5
69.07066	22.8
69.52856	11.6
71.04978	8.1
79.05479	20.8
81.03418	17.1
81.07053	42.9
83.04985	36.0
83.08611	18.1
85.06538	9.9
91.05468	27.3
93.07047	28.5
95.04958	17.9
95.08604	72.5
95.25019	1.7
97.06507	5.8
97.10139	5.6
98.22588	3.5
99.23068	2.0
103.05479	11.3
104.06233	3.7
105.07027	74.1
106.07323	3.9
107.04958	5.2
107.07864	2.6
107.08588	56.6
109.06509	24.6
109.10152	88.6
110.10487	3.3
111.08086	9.6
115.05451	10.0
117.26976	1.9
118.04134	4.9
119.08580	74.9
120.08812	2.0
121.10145	42.5
122.07272	3.3
123.08064	54.3
123.11708	12.1
125.09575	3.9
126.11111	2.1
131.04840	1.9
131.08531	5.7
132.05705	2.4
133.05534	3.5
133.06483	32.1
133.10126	63.1
135.11691	89.9
136.12024	3.6
137.05939	4.2
137.09616	41.4
138.10374	4.7
142.07874	2.7
143.06023	3.0
147.08043	2.8
147.11687	26.0
149.13231	22.3
150.06776	2.6
151.11160	16.4
151.14810	12.1
157.10147	3.2
160.05205	1.9
161.06000	16.4
165.06946	2.7
165.09117	5.7
165.12737	3.8
165.16391	4.3
167.36201	2.1
175.07591	2.9
175.11176	9.2
175.13419	3.8
175.14828	46.3
176.15186	2.6
193.04936	2.5
193.08577	36.8
193.12228	11.0
193.15872	100.0
194.15526	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03929	2.0
55.05270	1.9
55.05511	22.9
55.39428	1.4
57.07069	7.5
59.04993	5.7
60.65846	1.4
65.03927	2.5
67.05504	48.7
69.03427	6.0
69.07068	15.2
70.45901	1.5
71.04984	3.9
79.05496	19.8
81.03413	15.4
81.07054	32.0
83.04959	4.6
83.08643	7.7
83.09065	1.5
85.06541	35.5
91.05484	19.4
93.07043	31.7
95.04979	10.4
95.08607	27.0
97.06541	1.8
99.08089	100.0
101.84715	1.6
103.05449	2.9
105.07029	36.5
107.04929	3.7
107.08589	28.0
109.06508	12.2
109.10155	75.8
109.10918	3.6
111.08118	2.3
115.05459	1.6
118.04171	2.3
119.08572	21.6
121.10136	10.0
123.08045	12.2
123.11711	12.3
129.06963	1.9
131.04860	1.6
131.08559	3.2
133.06470	16.7
133.10126	36.8
134.10442	2.0
135.10660	2.2
135.11687	32.5
137.05975	5.1
137.09605	28.9
138.10313	2.4
147.11696	17.2
149.13205	2.7
150.06734	2.1
151.07532	2.1
151.11176	10.7
161.05986	8.0
165.09094	4.2
165.16376	3.0
175.11217	4.2
175.14804	16.1
193.08612	9.1
193.10233	2.3
193.12192	8.2
193.15877	78.7
194.16182	2.6
213.93172	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0813
Annotation	2-(2-Hydroxyethyl)-4-hydroxyisoindolin-1-one
Peak:m/z	Relative Intensity
51.02396	0.7
55.01875	4.1
57.03444	0.8
65.03950	6.3
67.05503	0.8
71.30093	0.6
76.74170	0.5
77.03947	0.9
79.05509	1.9
81.07060	0.6
83.01358	2.4
89.03911	1.6
91.05495	1.8
92.05015	6.2
93.03405	0.8
93.05807	1.1
93.07072	1.4
94.06579	1.2
95.04977	1.5
95.08621	0.8
96.05282	0.6
103.05480	3.2
104.04996	0.9
105.07047	1.6
106.02930	3.0
106.06572	26.5
106.07323	2.0
107.04962	2.2
107.08585	0.8
110.06033	0.7
111.04462	1.2
115.05489	0.8
117.03419	2.9
117.05774	0.6
118.06577	1.9
120.04510	3.8
120.08134	5.5
121.06540	1.6
124.07661	0.7
125.06010	1.6
128.04999	1.2
130.06543	100.0
131.04918	0.8
131.06865	3.4
131.08517	0.9
132.04463	46.6
132.08101	11.4
132.09093	0.8
133.02879	1.4
133.04778	1.3
134.02357	0.6
134.03587	0.6
134.06018	4.5
134.06848	1.1
135.04439	1.5
135.11700	1.1
136.07672	0.6
138.05508	1.1
145.02875	7.0
146.06021	13.6
148.03931	2.6
148.07582	64.3
149.05954	3.4
149.07932	1.6
150.03119	0.6
150.05502	1.9
153.05473	2.3
158.06036	21.3
158.44113	0.6
159.11642	0.9
162.06407	1.0
163.03947	1.2
165.05420	1.5
166.05005	17.0
166.08655	1.0
167.05466	1.1
176.03459	31.1
176.07080	51.3
177.03896	0.9
177.05478	6.5
177.07437	1.2
177.12689	0.6
185.22906	0.6
188.92467	1.3
194.04509	46.7
194.08118	3.1
194.11826	1.8
194.15404	7.4
195.02928	0.7
195.04843	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01863	1.3
55.05512	1.8
58.06603	62.4
58.87087	1.4
65.03937	2.3
66.07823	1.4
67.05505	20.3
68.99783	2.2
69.07047	2.1
71.04945	1.4
71.29089	1.3
79.05487	9.4
81.07030	7.0
82.07388	1.7
84.08142	100.0
85.06541	20.5
85.08456	1.5
89.03931	9.0
91.05470	12.7
93.03413	1.6
93.07040	18.2
95.04950	5.2
95.08601	4.5
98.97605	1.8
100.07639	1.7
103.05472	1.5
105.03390	1.3
105.07012	4.5
106.06569	1.5
106.07371	1.5
107.04936	11.8
107.08598	13.8
108.08096	2.1
109.06511	2.4
109.10153	57.9
110.06054	1.4
110.09678	27.5
110.10391	1.6
111.04434	2.7
117.03383	13.0
117.06992	2.4
119.04950	1.6
119.08586	11.3
120.08901	1.7
121.06516	6.5
121.10129	2.6
123.04399	1.9
124.07587	2.5
131.08499	2.5
133.02869	4.0
133.06462	1.6
133.10092	3.1
134.06834	3.9
134.10437	2.5
135.04416	11.7
135.08047	8.0
135.11700	14.2
136.11200	18.3
137.06004	1.6
137.09616	46.5
139.76384	1.2
145.02840	29.5
147.06337	3.3
148.08427	1.8
148.97408	1.5
149.05957	11.9
149.13254	1.9
151.03813	2.3
151.07466	2.7
151.58371	1.4
152.14349	1.5
153.05466	2.2
159.11702	5.5
162.05566	2.1
163.03908	8.1
163.07529	5.8
165.06967	1.9
167.06976	4.1
167.08347	1.8
176.14180	7.0
177.05460	22.8
177.08987	1.9
177.12733	9.8
179.03418	11.3
180.09267	2.1
194.05678	4.0
194.08908	2.2
194.15398	80.2
195.02843	4.2
195.04630	1.3
195.06482	5.4
195.08354	1.4
195.10147	3.9
195.11665	4.2
195.15790	2.9
213.16641	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	ferulic acid
Peak:m/z	Relative Intensity
63.02406	0.8
65.03952	0.8
69.03450	0.6
69.37556	1.3
69.37972	3.0
73.14658	0.7
73.97078	0.6
77.62324	0.6
78.04727	1.4
79.05479	2.2
89.03913	30.4
91.05477	4.5
93.03421	1.3
93.07042	1.7
95.04954	0.9
100.65738	0.7
103.05534	0.7
105.07030	1.2
106.04173	2.3
107.04958	1.5
107.08633	1.1
111.04453	0.8
117.03375	60.4
118.03703	1.5
121.06509	1.9
121.10081	0.8
125.05994	1.7
131.08549	0.7
134.03615	10.1
135.04382	7.9
135.08109	0.8
142.35660	0.7
145.02840	96.1
146.03180	4.0
147.04370	0.8
149.05974	27.5
151.07608	0.8
153.05449	9.6
154.06067	2.5
162.03148	3.2
163.03902	10.2
177.05458	100.0
178.05745	2.5
179.05666	0.8
186.05499	0.7
195.03056	0.7
195.06485	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	ferulic acid
Peak:m/z	Relative Intensity
53.03942	1.2
55.01886	0.8
55.05500	1.5
57.03439	0.7
63.02392	1.2
65.03941	1.6
67.05508	1.3
67.73948	0.4
69.03419	0.9
69.07096	0.4
71.04996	0.9
71.29237	0.6
78.04719	1.4
79.05495	3.9
81.03383	0.5
81.07047	1.6
83.04963	0.9
89.03918	29.2
90.04227	1.0
91.05478	6.4
93.03404	1.7
93.07041	3.5
95.04970	2.4
95.08595	1.1
97.02916	0.6
97.06487	0.7
103.05449	2.3
105.04539	0.4
105.07017	3.6
106.04176	2.6
107.04960	3.1
107.08571	2.3
109.06490	1.3
109.10152	0.6
111.04466	1.9
115.05470	0.7
117.03376	55.1
117.07046	1.0
118.03723	1.3
119.04945	1.3
119.08564	0.8
119.50598	0.4
121.06498	5.8
121.10139	1.5
123.04446	0.7
123.08073	0.6
124.05238	0.6
125.05983	1.9
131.04906	0.8
131.08563	1.1
133.06465	0.5
134.03632	8.3
135.04427	7.0
135.08052	7.2
135.11676	1.4
137.05975	1.6
137.09642	1.0
138.06723	1.3
138.23642	0.4
139.03929	0.5
145.02844	93.7
146.03171	2.2
146.07249	0.7
147.04449	0.8
149.05975	24.9
149.09560	2.2
149.13196	0.5
150.06363	0.5
151.07526	2.2
153.05473	3.6
153.09103	0.8
154.06136	2.7
159.11736	1.1
162.03116	2.1
162.06723	0.9
163.03891	9.7
163.07532	3.6
164.04256	0.6
167.07040	0.8
167.08406	0.4
177.05464	100.0
178.05846	3.0
179.05684	1.3
180.07819	0.8
186.05499	0.9
192.01750	0.4
195.06467	1.1
195.08235	0.7
195.10143	3.0
195.13928	0.8
198.19171	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	5-Hydroxyconiferaldehyde
Peak:m/z	Relative Intensity
51.02368	0.9
53.00311	0.7
53.03952	4.1
55.01869	1.1
56.62082	0.7
56.96564	1.3
65.03945	6.2
66.04720	1.0
67.05499	1.9
68.96323	0.8
68.99798	1.0
69.24579	3.6
69.24990	1.0
70.94256	0.5
71.04969	0.7
77.03939	3.2
78.04705	1.3
79.05494	36.1
81.03407	1.4
81.07058	1.8
81.48916	0.7
84.08149	3.6
85.51163	0.5
89.03923	6.1
91.05479	10.9
93.03410	6.8
93.07049	1.9
94.04192	5.4
95.04981	6.7
98.22639	1.3
103.05455	1.6
105.03403	9.2
105.04507	2.2
106.04190	1.7
106.36816	0.7
106.64342	0.7
107.04957	41.5
107.08562	0.7
108.02107	1.7
108.05264	0.8
109.06512	2.0
110.03675	1.1
110.94215	0.7
111.04446	10.7
117.03380	6.9
119.04958	2.8
121.02855	1.3
121.06515	13.6
122.03651	25.9
123.04510	0.8
124.05223	1.2
125.05993	11.1
133.02855	68.5
134.03688	3.4
135.04419	35.5
136.04820	0.8
137.05974	18.6
138.06355	0.6
139.03946	0.6
140.04688	1.1
145.02855	5.5
149.02318	1.5
149.05980	24.1
149.97174	0.8
150.03127	41.9
151.03929	14.9
151.05017	2.2
153.05467	18.2
154.02594	0.7
154.94174	0.7
162.03134	6.5
163.03914	18.7
164.04626	2.5
165.05481	100.0
166.05836	2.8
167.06990	5.4
167.08218	0.7
171.98912	0.8
177.05473	26.6
178.05849	1.3
195.02902	1.8
195.06485	12.1
195.11281	1.4
210.33096	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	3,4-Dimethoxypropiophenone
Peak:m/z	Relative Intensity
52.76348	0.4
53.03934	0.5
53.25759	0.4
55.01870	0.6
55.05512	2.3
57.07077	0.7
59.68100	0.4
60.23795	0.4
65.03947	0.7
66.04688	0.7
67.05504	2.1
69.03425	1.2
69.07066	4.3
69.72765	2.1
71.04971	0.8
77.06793	0.4
79.05496	3.1
81.07054	5.2
83.04964	1.3
83.08608	1.7
84.89629	0.4
85.06532	1.6
91.05460	2.2
93.07046	4.0
94.04189	5.6
95.04980	0.6
95.08617	5.5
97.06539	0.8
97.10176	0.7
99.08089	3.2
102.19392	0.4
105.07020	1.5
107.04939	2.8
107.08589	5.4
109.06526	0.9
109.10155	1.5
111.08083	1.4
119.08580	0.9
121.06454	0.9
121.10135	5.7
122.03642	11.6
123.04024	0.5
123.08068	1.3
123.11702	0.9
125.09612	3.1
135.08043	1.8
135.11705	3.3
137.05972	100.0
137.13266	1.3
138.06320	3.3
139.03845	0.5
139.11197	0.6
149.05989	0.7
149.09631	0.8
149.13283	1.0
153.05499	0.6
154.06128	0.9
159.11670	0.7
163.07518	0.9
165.07016	0.6
167.03421	0.5
167.07030	1.1
176.80568	0.5
177.12761	2.3
177.16397	4.5
180.09300	0.8
195.02893	1.3
195.10143	1.5
195.11769	1.0
195.13864	1.4
195.17584	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.02394	0.5
53.00308	0.6
53.03946	2.5
54.14305	0.4
55.01869	2.4
55.05507	4.3
56.96560	0.5
57.03434	1.2
59.05009	0.4
63.02362	0.6
65.03934	2.7
67.05510	2.1
69.03439	2.3
69.07074	1.3
71.01356	0.4
71.04991	1.3
71.29303	0.6
77.03921	0.8
77.72192	0.5
78.04696	2.3
78.98547	0.5
79.05491	18.4
81.03404	1.4
81.07053	3.9
83.04993	3.8
83.08644	0.4
84.08192	0.5
85.02889	1.0
85.06545	0.8
85.19615	0.4
86.06052	0.8
89.03915	14.0
91.05478	15.7
92.01700	2.8
93.03415	2.6
93.07043	7.5
94.04144	0.5
95.04961	8.6
95.08607	3.0
97.02888	1.5
97.06525	1.4
99.04440	0.6
100.07626	1.7
101.06009	0.7
103.05460	13.8
105.03403	1.0
105.04513	2.2
105.07027	16.6
106.04163	1.7
106.07346	0.7
107.04951	100.0
107.08587	11.6
107.09280	0.8
108.05294	2.5
108.05923	0.4
109.02842	0.5
109.06516	2.0
109.10143	1.0
110.03664	1.0
111.04430	4.3
111.08098	0.9
115.05467	8.6
116.06237	1.1
116.09473	0.7
117.03376	26.5
117.07015	4.2
119.04939	1.7
119.06057	0.6
119.08580	9.1
120.05724	3.1
121.02878	2.6
121.06515	5.6
121.10140	4.1
122.03670	0.8
123.04406	3.2
123.08083	2.0
124.04275	3.9
124.05208	2.4
125.05994	3.9
125.09656	0.7
129.06956	0.5
131.04915	2.0
131.08574	4.3
132.04408	0.5
133.02846	1.2
133.06483	1.3
133.10126	1.4
134.02692	2.0
134.03622	4.1
135.04424	7.0
135.08051	26.5
135.11678	4.5
136.08437	0.9
137.05968	4.0
137.09619	2.8
139.03894	8.4
139.07498	1.1
141.05470	0.6
145.02844	46.7
145.07591	1.5
146.03186	1.5
147.04404	2.8
147.08064	1.8
148.05168	1.2
148.97366	1.3
149.02362	3.1
149.05974	14.4
149.09625	5.4
149.13290	1.0
151.03903	1.8
151.07547	1.1
152.04666	1.3
152.06195	0.5
153.05449	4.9
154.06203	8.8
159.07985	0.9
159.11713	1.1
162.03053	0.9
162.06706	0.5
163.02666	0.7
163.03922	7.3
163.07544	30.7
164.07933	2.0
165.05443	2.0
165.06882	0.9
165.09114	1.6
167.03352	0.9
167.07033	37.1
167.10686	1.5
167.61572	0.4
168.07362	0.8
177.05464	52.0
177.12747	1.3
178.04832	1.3
178.05882	1.6
179.05626	1.8
180.07809	7.6
180.09323	0.9
186.05473	0.4
195.02893	7.0
195.06444	1.8
195.08208	1.7
195.10150	35.7
195.11533	1.4
195.13803	2.5
195.17281	0.5
196.06027	0.5
196.08231	0.8
196.10452	1.6
196.16833	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	3,4-Dimethoxypropiophenone
Peak:m/z	Relative Intensity
55.01876	0.8
55.05503	0.8
65.03934	1.3
66.04719	1.2
67.05516	1.1
69.03400	0.9
69.04865	3.6
69.07079	0.6
79.05501	2.9
81.07046	1.7
83.04970	1.1
89.03900	0.6
91.05486	2.3
93.03404	0.5
93.07025	2.4
94.04175	5.0
95.04974	0.7
95.08613	1.2
100.10972	0.5
103.05470	0.5
105.07027	1.3
107.04948	3.9
107.08557	2.1
109.06497	0.9
109.10153	0.5
109.49733	0.4
111.04440	1.0
111.08087	1.1
121.02891	1.2
121.06474	1.0
121.10129	1.3
122.03649	12.3
123.11726	0.7
125.05939	0.7
125.09644	0.5
131.08604	0.5
135.04428	0.6
135.08058	2.0
135.11700	1.9
137.05975	100.0
138.06319	3.2
139.03909	1.1
145.02835	0.9
149.02324	1.1
149.05965	1.0
149.09634	0.8
149.13376	0.6
153.01808	0.5
153.05450	0.6
154.06137	3.4
159.11649	0.6
163.07585	1.3
165.07034	0.6
167.03340	1.6
167.07051	1.0
177.05521	2.1
177.12764	1.4
177.16434	0.6
179.05634	1.5
183.81821	0.5
195.02881	9.2
195.10158	2.3
195.11867	0.6
195.13834	0.7
196.03262	0.6
196.08240	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1017
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.03939	1.5
55.01863	1.5
55.05511	4.0
57.07082	1.0
62.34060	0.7
64.71980	0.6
65.03941	4.5
67.05505	3.6
68.99803	3.8
69.03422	1.3
69.07076	3.4
70.43764	0.8
70.44108	1.4
71.04997	1.5
74.16547	0.7
79.05495	9.9
81.03415	0.9
81.07053	7.0
83.04960	1.6
83.08607	0.8
91.05488	8.1
93.03407	7.3
93.07048	6.8
95.04955	3.3
95.08615	3.8
97.06522	2.2
97.10207	0.9
103.05469	24.0
105.04572	0.8
105.06378	0.8
105.07037	11.0
107.04955	32.7
107.08598	6.2
108.19451	0.6
109.02880	1.1
109.06526	2.2
109.10152	1.9
111.04458	6.2
112.99055	0.6
114.57652	0.6
115.05451	3.7
117.07015	2.1
119.04938	1.4
119.08613	1.2
120.05710	2.5
121.06519	4.4
121.10123	5.7
123.08065	1.2
123.11707	0.8
124.05203	2.6
125.06007	1.1
125.09634	2.4
125.63235	0.7
130.96381	0.7
131.04907	4.8
131.08571	1.7
133.06479	1.0
133.10208	0.8
135.04497	1.1
135.08058	21.5
135.09096	1.3
135.11684	5.6
137.05997	1.5
137.09601	0.9
139.03897	27.8
139.11232	0.8
145.06590	1.2
145.07608	1.2
148.05180	1.0
149.06020	0.8
149.09653	4.5
149.13258	1.7
151.07515	5.8
152.06172	1.2
153.05426	0.9
153.09128	5.3
154.06244	100.0
155.06590	3.1
159.08087	0.8
159.11763	1.4
163.03883	0.8
163.07544	27.1
164.07907	0.9
165.06996	2.6
167.07042	5.5
167.08424	1.1
177.09138	1.6
177.12785	2.6
177.16475	1.2
180.07814	1.4
180.09286	1.7
195.02899	2.4
195.06470	0.8
195.08066	2.5
195.10155	10.0
195.11734	3.2
195.13803	2.1
195.17444	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.01576	0.6
53.03941	2.6
55.01869	2.6
55.05238	0.6
55.05508	12.0
57.03426	2.7
57.07081	1.4
65.03935	2.7
67.05505	53.7
68.05826	0.9
69.03416	1.1
69.07069	12.7
71.01347	1.8
71.04998	4.8
71.30889	0.7
73.02872	0.6
73.06589	0.6
79.05493	35.8
81.03416	6.1
81.07057	100.0
82.07391	1.2
83.04980	6.6
83.08625	7.1
85.06534	3.9
87.04472	1.1
91.05479	21.0
93.07044	57.5
94.07378	1.0
95.04977	4.8
95.08607	42.1
96.08955	0.6
97.06517	7.5
99.04445	0.6
99.08083	1.3
105.04549	1.1
105.07027	8.8
107.05000	1.5
107.08593	23.8
109.06517	2.5
109.10155	2.9
111.08075	3.4
113.06031	0.7
117.07011	7.8
119.08591	2.7
121.06498	4.7
121.10136	6.5
123.08051	0.8
123.11707	1.4
124.05184	0.7
125.09594	0.7
131.08563	10.1
133.10130	12.8
135.08055	3.8
135.11693	38.8
137.02339	1.3
144.09340	0.7
149.09634	1.1
149.13260	17.4
149.97281	0.7
151.11136	1.3
153.09119	0.9
159.11685	13.9
160.11859	0.7
165.07063	1.4
177.12755	12.9
180.09381	1.5
195.06500	1.1
195.08104	2.0
195.11752	3.5
195.13837	14.3
195.15591	0.8
203.86662	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.20821	0.4
51.02385	0.5
53.03941	0.6
55.01875	2.8
55.05263	0.7
55.05515	6.1
57.07087	2.3
59.04991	1.1
60.11724	0.4
65.03939	0.6
67.05505	3.8
69.07068	4.7
70.81336	0.8
71.04991	0.8
79.05494	6.7
81.07059	7.1
81.65726	0.4
83.04991	2.2
83.08610	0.5
87.04446	0.8
88.21437	0.4
89.06041	3.7
91.05484	6.3
93.07045	31.6
94.07365	1.0
95.04980	1.0
95.08608	14.6
97.06539	1.6
98.22655	0.5
98.23205	0.6
98.54282	0.5
101.06028	3.3
105.07028	4.4
107.08594	43.6
108.08916	0.9
109.06493	0.9
109.10181	2.5
117.07067	0.9
119.06129	0.7
119.08575	4.8
120.09364	0.8
121.06511	2.4
121.10143	10.3
123.07993	0.6
123.11712	1.1
130.06938	0.4
131.08549	1.4
133.08623	0.5
133.10132	13.5
135.08072	4.5
135.11693	100.0
136.12030	3.1
137.09666	0.5
139.07504	1.0
144.09378	0.6
149.09612	0.9
149.13255	6.4
153.09076	1.3
159.11699	7.5
163.07425	0.5
165.07018	1.9
167.08524	0.5
177.12750	20.5
180.09370	1.9
195.07962	0.6
195.11731	4.2
195.13818	12.1
195.15604	0.8
201.08736	0.5
201.72443	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03946	4.3
55.01888	3.8
55.05511	21.5
57.03439	5.1
57.07066	2.6
65.03950	2.4
67.05505	64.9
68.05863	1.4
69.03437	2.4
69.07067	18.2
70.40057	0.9
70.40394	1.9
71.01360	2.7
71.04986	6.6
73.02921	1.4
77.03954	0.8
79.05493	47.6
80.05858	0.9
81.03423	15.9
81.07056	100.0
82.07385	1.3
83.04984	14.8
83.08621	10.3
85.02915	1.4
85.06549	3.4
91.05479	43.8
92.05830	1.2
93.07045	60.4
94.07367	1.1
95.04969	7.8
95.08607	35.1
97.06531	13.0
97.10152	1.0
99.08122	1.7
105.04546	1.9
105.07037	12.8
107.04959	3.8
107.08595	27.3
109.06518	3.2
109.10151	3.9
111.08064	5.9
115.05495	1.5
117.07014	15.6
119.08583	3.4
121.06506	8.7
121.10126	7.7
123.08102	1.5
123.11706	3.4
129.07002	1.2
131.08578	13.8
133.10135	26.0
135.08083	4.6
135.10657	1.5
135.11690	28.9
144.09253	1.0
149.09630	1.8
149.13257	16.9
149.97292	1.1
150.13547	1.1
151.11172	4.2
159.11693	16.6
165.06969	0.9
177.12762	10.3
180.09375	1.1
195.10126	2.3
195.11958	1.2
195.13806	16.6
195.15651	1.5
196.14165	1.0
196.16986	0.9
214.86035	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03947	5.6
55.01865	5.1
55.05510	23.3
57.03433	8.1
57.07074	1.7
65.03939	3.2
65.83914	1.1
67.05504	71.7
69.07069	16.2
69.34855	3.8
69.35266	3.7
71.04995	8.3
75.58385	1.0
76.44237	1.0
79.05492	59.7
81.03420	16.2
81.07056	100.0
83.04981	39.3
83.08630	10.1
85.06553	4.9
86.02770	1.4
89.06030	1.7
91.05480	37.0
92.05833	1.2
93.07040	84.2
94.07372	2.1
95.04973	14.4
95.08607	52.7
97.06537	22.0
99.08092	1.3
105.04511	2.8
105.07027	18.0
107.04958	5.9
107.08593	33.7
109.06541	7.8
109.10165	5.1
111.08064	7.3
115.05452	1.6
117.07018	20.1
118.07875	1.4
119.08574	3.3
121.06490	8.6
121.10145	11.7
123.08083	2.5
128.13628	1.2
131.08568	20.2
133.10124	17.0
135.08049	6.2
135.11693	34.1
139.05496	1.3
144.09424	1.6
147.11703	2.8
149.09662	2.7
149.13274	15.3
149.97203	2.8
151.11194	2.7
159.11694	22.5
160.12134	1.2
165.06995	3.0
173.88347	1.1
176.06284	1.1
177.12737	13.2
180.09303	1.7
195.08156	2.3
195.11850	2.8
195.13824	27.7
195.15622	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	1alpha-Hydroxyisoondetianone
Peak:m/z	Relative Intensity
53.03935	4.7
53.57287	1.2
55.01878	8.9
55.05511	32.1
57.03429	4.7
57.07080	6.7
59.62353	1.2
63.87984	1.2
65.03954	1.8
67.05507	44.3
69.03433	13.0
69.07070	51.2
69.19411	1.1
70.39164	1.2
70.86488	2.3
71.04991	12.4
71.08627	1.7
77.03912	1.5
79.05494	43.1
81.03408	3.1
81.07059	94.5
82.07403	1.9
83.04477	2.7
83.04982	57.9
83.08617	22.9
85.06562	9.2
91.05481	33.2
93.07044	91.6
94.07362	1.3
95.04965	12.7
95.08607	68.6
96.08920	2.4
97.06532	74.7
97.10176	12.0
98.06869	2.0
99.04450	1.4
99.07473	2.4
99.08095	32.0
103.05472	3.0
105.04518	1.5
105.07035	40.7
107.04959	18.7
107.08598	90.6
109.06521	41.5
109.10169	17.3
111.04411	1.5
111.08074	20.5
111.11691	6.3
113.09659	2.5
115.05490	2.5
117.07025	17.8
119.06072	1.4
119.08574	28.4
121.06506	16.2
121.10141	63.2
122.10435	2.1
123.08060	8.5
123.11695	12.1
125.05990	6.5
125.09634	23.2
129.06935	1.7
131.08585	19.6
133.10132	60.3
134.10501	2.3
135.04453	1.7
135.08063	15.3
135.11697	77.9
137.09621	4.8
137.13255	20.6
139.07562	1.7
139.11200	7.5
144.09305	3.8
147.11682	20.7
149.09587	9.4
149.13261	48.0
149.14474	2.4
151.11156	3.7
153.12726	1.4
159.11690	48.3
163.07578	3.1
165.06990	3.5
165.12764	26.8
165.16449	1.6
167.07080	3.1
177.12769	37.1
177.16383	42.0
178.13124	1.5
178.16678	1.7
180.09245	1.9
195.02844	2.4
195.10109	4.0
195.11940	3.6
195.13806	100.0
195.17451	19.6
196.14146	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.7
53.57287	1.2
55.01878	8.9
55.05511	32.1
57.03429	4.7
57.07080	6.7
59.62353	1.2
63.87984	1.2
65.03954	1.8
67.05507	44.3
69.03433	13.0
69.07070	51.2
69.19411	1.1
70.39164	1.2
70.86488	2.3
71.04991	12.4
71.08627	1.7
77.03912	1.5
79.05494	43.1
81.03408	3.1
81.07059	94.5
82.07403	1.9
83.04477	2.7
83.04982	57.9
83.08617	22.9
85.06562	9.2
91.05481	33.2
93.07044	91.6
94.07362	1.3
95.04965	12.7
95.08607	68.6
96.08920	2.4
97.06532	74.7
97.10176	12.0
98.06869	2.0
99.04450	1.4
99.07473	2.4
99.08095	32.0
103.05472	3.0
105.04518	1.5
105.07035	40.7
107.04959	18.7
107.08598	90.6
109.06521	41.5
109.10169	17.3
111.04411	1.5
111.08074	20.5
111.11691	6.3
113.09659	2.5
115.05490	2.5
117.07025	17.8
119.06072	1.4
119.08574	28.4
121.06506	16.2
121.10141	63.2
122.10435	2.1
123.08060	8.5
123.11695	12.1
125.05990	6.5
125.09634	23.2
129.06935	1.7
131.08585	19.6
133.10132	60.3
134.10501	2.3
135.04453	1.7
135.08063	15.3
135.11697	77.9
137.09621	4.8
137.13255	20.6
139.07562	1.7
139.11200	7.5
144.09305	3.8
147.11682	20.7
149.09587	9.4
149.13261	48.0
149.14474	2.4
151.11156	3.7
153.12726	1.4
159.11690	48.3
163.07578	3.1
165.06990	3.5
165.12764	26.8
165.16449	1.6
167.07080	3.1
177.12769	37.1
177.16383	42.0
178.13124	1.5
178.16678	1.7
180.09245	1.9
195.02844	2.4
195.10109	4.0
195.11940	3.6
195.13806	100.0
195.17451	19.6
196.14146	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03928	2.2
55.01875	11.2
55.05242	1.9
55.05508	32.3
57.03434	1.6
57.07073	8.4
59.04996	3.3
67.05500	14.0
69.02761	16.4
69.03432	17.0
69.07068	66.8
69.68947	1.8
71.04988	7.8
71.08639	2.6
79.05496	13.8
81.07058	48.0
82.60076	1.6
83.04984	1.7
83.08619	25.0
85.06548	13.2
91.05485	4.4
93.07048	29.4
95.08606	72.8
96.08933	2.2
97.06516	4.7
97.10181	16.6
98.22617	3.1
99.08092	82.5
99.08744	4.2
100.08438	2.2
105.07037	5.5
107.04951	3.1
107.08601	54.5
109.10149	18.4
111.08066	31.8
111.11727	6.8
113.09629	6.6
119.08583	3.0
121.06506	2.8
121.10141	88.5
122.10461	1.9
123.11678	8.7
125.05997	2.5
125.09630	47.9
133.10170	2.2
135.08025	2.8
135.11707	24.4
137.13252	32.1
139.11168	9.5
149.13220	5.7
151.14850	2.0
152.06183	2.0
154.06168	2.8
164.01645	1.9
167.08525	2.9
177.05528	2.6
177.16383	100.0
178.16664	3.7
179.05681	2.3
195.08113	4.0
195.17435	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.7
54.29245	1.7
55.01871	12.3
55.05511	40.7
57.03442	4.9
57.07066	11.6
59.05011	2.4
61.49308	1.8
63.46312	1.7
65.03950	11.0
67.05502	17.1
68.99795	5.0
69.03422	19.4
69.07068	78.8
70.41684	1.7
71.01346	4.2
71.04995	12.0
71.30154	2.3
79.05486	20.6
81.03406	3.1
81.07053	67.4
83.04983	6.2
83.08614	32.2
83.19476	1.7
83.30566	1.6
85.02909	5.7
85.06554	11.1
91.05475	9.7
93.07045	38.8
95.04979	2.5
95.08605	89.7
96.08965	3.2
97.02871	2.0
97.06516	3.1
97.10167	19.8
99.08089	80.7
100.08407	2.2
105.07037	7.2
107.04965	5.8
107.07864	3.5
107.08592	68.8
109.06510	3.4
109.10147	24.0
110.51833	1.8
111.04457	12.6
111.08075	40.4
111.11707	7.5
113.08937	2.3
113.09652	9.9
119.08536	3.8
121.02874	10.9
121.06483	2.7
121.10142	93.1
121.65238	2.0
122.10508	3.0
123.11716	11.6
125.05950	2.2
125.09631	51.6
127.11159	2.7
135.04346	2.8
135.08087	3.3
135.11691	28.7
137.06050	2.0
137.13239	35.8
139.03859	10.8
139.11169	8.2
149.02332	10.9
149.13254	8.5
151.07544	2.2
152.06221	3.0
153.01851	8.0
153.05428	3.1
154.06137	10.7
159.11766	2.2
163.07506	2.1
165.06999	2.9
167.03400	21.7
167.07140	2.5
167.08463	3.5
177.05522	2.5
177.09056	3.7
177.12825	3.2
177.16385	100.0
178.16751	4.1
179.05667	4.9
195.02884	58.2
195.08080	12.7
195.09882	2.7
195.13853	3.7
195.15701	1.8
195.17426	34.4
196.03203	2.4
196.08374	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58302	1.2
53.03933	2.5
55.01865	14.1
55.05509	44.6
57.03443	2.1
57.07072	11.4
57.91816	1.4
59.04996	3.0
59.45710	1.3
60.95639	1.2
64.60261	1.4
65.03938	3.4
67.05506	20.5
69.03428	23.2
69.07066	90.5
69.33030	8.9
71.04990	14.3
71.08641	3.0
75.15829	1.2
79.05485	18.9
81.07051	68.1
83.04973	6.6
83.08614	29.5
84.22906	1.3
85.06541	14.2
87.10529	1.3
90.60860	1.4
91.05487	10.2
93.07043	40.1
95.04961	3.5
95.08602	93.2
96.08951	2.2
97.06532	5.4
97.10162	21.6
99.08089	97.6
100.08445	2.1
105.07011	9.5
107.04967	7.0
107.08589	68.5
108.08900	2.3
109.06520	3.4
109.10147	33.1
111.04417	2.0
111.08072	44.2
111.11688	10.1
113.09643	7.8
119.08583	4.4
121.02869	1.9
121.06517	3.4
121.10139	100.0
122.10447	2.4
123.08054	3.0
123.11710	14.8
125.05994	18.7
125.09625	55.7
127.11151	1.8
131.08514	2.4
133.10147	2.5
135.04544	1.8
135.08058	6.3
135.11693	29.4
136.11926	1.9
137.06026	1.8
137.13243	31.2
139.07539	1.4
139.11168	9.9
149.09621	4.9
149.13263	11.0
151.07518	3.5
151.14792	1.9
154.06123	3.4
159.11699	3.3
165.07042	2.1
167.03378	2.1
167.08464	1.8
167.14281	3.5
177.09116	1.5
177.12798	4.1
177.16386	94.0
178.16696	3.9
179.05806	1.8
195.02882	5.3
195.08154	1.9
195.10078	2.5
195.11700	2.9
195.13831	3.4
195.17447	40.4
195.19257	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03942	4.3
53.52145	2.0
55.01872	8.9
55.05512	33.2
57.03431	4.5
57.07070	9.0
58.32144	2.2
65.03944	12.4
67.05505	19.5
68.99788	4.7
69.03431	26.9
69.07068	71.3
69.59607	12.1
71.05009	11.9
77.03918	2.9
79.05485	20.6
81.07059	64.4
82.54599	2.0
83.04993	8.1
83.08620	27.5
85.02927	7.1
85.06528	11.8
89.03925	2.6
91.05478	20.7
93.03405	2.6
93.07046	43.8
94.07356	2.6
95.04983	4.6
95.08606	85.0
96.08959	2.7
97.02869	4.2
97.06543	6.0
97.10172	19.4
99.08095	81.7
105.07025	7.2
107.04974	10.2
107.08598	75.4
109.06515	3.6
109.10164	25.1
109.10848	3.8
111.04435	22.9
111.08075	22.7
111.11726	7.4
113.09633	8.5
117.03384	8.1
117.07049	4.4
119.08590	9.5
121.02901	14.3
121.03757	2.2
121.03912	2.2
121.06511	7.6
121.10137	100.0
123.08071	4.1
123.11693	28.0
125.02330	3.6
125.06010	3.1
125.09622	53.8
126.09946	2.7
131.08591	3.8
135.04384	2.6
135.08032	8.2
135.11688	33.2
137.09630	10.1
137.13257	28.9
139.03880	15.9
139.07603	2.9
139.11179	5.3
145.02864	9.2
149.02345	10.8
149.06017	6.0
149.09633	11.3
149.13234	11.6
151.07590	6.5
152.06207	2.4
153.01833	12.6
153.09190	2.7
153.12741	2.8
154.02646	2.7
154.06114	24.7
159.11662	5.8
163.03912	6.5
165.07060	5.2
167.03398	32.9
167.07115	2.9
167.08597	4.0
177.05486	11.8
177.06868	2.9
177.09135	5.8
177.12883	6.2
177.16386	93.2
178.16774	5.0
179.05656	15.5
195.02893	63.2
195.08070	7.6
195.10191	8.3
195.11890	2.5
195.13795	8.7
195.15727	3.7
195.17450	37.1
196.03249	3.6
196.08383	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
55.01867	1.5
55.05511	20.7
57.03432	3.4
57.07076	20.3
59.04993	2.7
65.03934	2.1
67.05506	17.7
69.03410	3.2
69.07067	25.4
71.04991	5.9
71.08633	3.6
71.28939	0.8
71.29295	0.9
77.03917	1.1
79.05492	14.2
81.07057	34.8
82.07399	1.0
83.04988	6.3
83.08615	14.2
85.02881	0.9
85.06542	14.8
85.10176	2.1
86.75520	0.9
88.10838	0.8
91.05479	14.3
93.07040	41.0
95.04975	4.0
95.08605	45.2
95.91210	0.7
96.08945	1.0
97.06550	4.5
97.10155	5.2
99.04452	1.6
99.08105	3.1
101.09676	1.0
103.05484	1.2
105.04485	0.8
105.07029	17.1
107.04968	3.5
107.08591	60.4
108.08906	1.2
109.06524	4.4
109.10154	40.9
111.04473	1.3
111.08088	5.9
111.11707	4.1
113.09602	0.7
117.06995	1.8
119.08578	15.6
121.06505	2.5
121.10142	100.0
122.10455	2.5
123.08088	3.7
123.11703	16.6
125.09622	6.9
128.96507	0.8
131.08560	3.0
133.07594	1.9
133.10144	3.0
135.04346	1.1
135.08047	3.9
135.11691	43.2
137.09608	13.8
137.13251	7.4
139.07549	1.2
139.11195	7.1
144.09337	0.8
145.02864	1.6
147.09113	0.9
149.05983	2.0
149.09653	3.6
149.13303	5.5
151.07535	2.3
151.14825	5.7
152.06242	1.1
153.05469	1.0
153.12721	1.6
154.06075	4.3
159.11711	5.8
165.07013	1.6
165.16388	14.7
167.07149	0.9
167.08560	1.1
177.05457	1.3
177.09132	2.3
177.12802	6.3
177.16382	31.0
178.16771	1.2
179.05705	3.7
180.09328	1.6
195.02870	2.0
195.08046	2.3
195.10179	2.9
195.11725	2.7
195.13806	3.0
195.17439	23.3
196.08334	1.0
196.17825	1.2
204.08069	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.7
55.05513	17.4
57.03431	2.7
57.07077	19.4
59.04996	3.3
65.03943	1.2
67.05502	12.0
69.03415	1.8
69.07069	26.0
69.25717	3.6
69.26131	2.4
71.05001	3.8
71.08638	3.8
78.56201	0.8
79.05499	12.1
81.07059	21.5
83.04977	4.9
83.08614	11.8
85.06543	7.0
85.10210	2.2
91.05472	9.3
93.07044	31.6
95.04968	1.3
95.08611	34.7
96.08969	1.0
97.06528	4.6
97.10162	6.4
98.22623	2.1
99.08118	2.6
103.05459	1.4
105.07030	14.9
107.04951	5.3
107.08596	57.8
107.16776	0.8
108.08933	1.3
109.06539	3.3
109.10159	39.2
111.08062	6.1
111.11732	3.9
111.12419	0.9
112.08472	0.8
119.08561	5.9
121.10143	100.0
122.10501	3.3
123.08115	2.6
123.11703	16.2
123.12544	1.2
125.09660	6.4
126.80959	0.8
133.02835	1.0
133.07687	1.1
133.10158	2.3
135.08040	1.8
135.11691	41.7
137.06030	1.0
137.13245	8.7
139.11197	8.0
149.06033	1.8
149.13266	3.3
151.14790	7.4
153.12764	1.9
165.05504	1.6
165.07007	1.0
165.16397	16.3
168.07539	1.0
177.09091	0.9
177.12805	1.6
177.16393	29.7
178.16713	1.3
180.07832	3.0
195.08420	1.5
195.10156	8.2
195.17445	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
53.75175	2.0
55.01867	8.8
55.05510	34.4
57.03423	4.6
57.07066	9.1
59.04998	3.4
67.05503	18.6
69.03428	19.9
69.07065	57.5
69.29655	11.5
69.30060	4.9
71.04989	12.4
72.28104	2.6
79.05493	19.2
81.07056	52.6
83.04964	6.5
83.08616	25.9
85.06546	13.8
89.03902	9.0
91.05449	10.3
93.07040	36.0
95.04964	7.0
95.08613	71.3
97.06544	5.8
97.10172	17.3
99.08095	77.6
105.07021	8.3
107.04964	9.0
107.08594	65.4
109.06539	4.3
109.10159	20.2
111.04453	2.5
111.08083	21.7
111.11726	6.6
113.09637	7.7
116.25301	2.0
117.03382	14.6
119.04821	2.2
119.08565	4.4
121.06532	10.7
121.10135	87.2
123.08076	2.7
123.11708	28.3
125.05901	2.4
125.09626	54.7
135.04431	4.3
135.08078	3.2
135.11693	25.8
135.69006	2.5
137.06032	3.7
137.09665	2.2
137.13239	26.4
139.11201	6.3
145.02829	27.7
146.03238	2.1
146.89468	2.3
149.05977	16.1
149.09615	2.5
149.13229	6.8
151.14801	3.3
153.05438	3.4
154.06122	18.4
159.11746	2.8
177.05484	31.7
177.12807	4.9
177.16383	100.0
178.04990	3.9
178.16766	4.5
179.05634	10.7
180.09267	2.9
195.02950	3.0
195.06454	3.1
195.10141	4.4
195.13687	3.7
195.15736	3.6
195.17451	32.2
196.08124	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.05515	2.5
65.03938	1.5
66.04689	0.7
67.05483	0.7
69.07069	1.5
69.10439	4.9
78.04707	1.9
79.05495	2.7
81.07059	1.3
83.04989	1.4
83.08627	1.9
91.05476	1.0
93.03407	3.1
94.04198	1.8
95.04967	7.6
95.08608	0.8
96.05740	2.9
97.06499	1.3
97.10192	0.8
105.03373	0.8
106.04163	1.3
107.01332	0.6
107.04954	1.5
108.05728	2.4
109.06518	8.7
111.04440	13.7
111.98448	0.8
118.04147	0.6
122.03670	3.0
123.04430	24.0
124.05251	7.4
125.05985	6.1
126.06763	3.9
129.07054	0.6
131.14389	0.6
132.95854	1.0
134.03616	1.1
135.04402	2.5
135.05382	0.6
137.05951	1.3
138.06760	98.7
139.03894	19.2
139.07597	9.4
141.07002	1.1
150.96881	2.0
151.03838	0.8
152.04700	2.4
153.05417	1.3
154.06248	72.7
155.06618	1.9
155.08583	2.8
155.97476	0.9
165.06949	0.9
167.03404	0.9
167.07033	7.3
167.08562	2.3
169.08604	100.0
170.08908	2.9
179.08534	3.3
182.05746	2.4
182.10939	2.6
197.06271	0.9
197.08081	11.7
197.09650	4.0
197.13287	6.4
198.18526	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0808
Annotation	Atraric acid
Peak:m/z	Relative Intensity
53.03936	1.4
54.78522	0.7
55.01877	2.8
55.05510	5.6
55.93524	1.3
56.96566	0.9
57.07073	3.3
57.17149	0.9
60.08169	2.8
61.87768	0.9
65.03933	1.4
67.05517	3.7
68.05053	1.2
69.07073	3.2
70.06585	4.8
70.95864	7.2
71.04995	1.9
71.08630	1.5
71.29768	1.0
72.08152	1.1
72.93796	5.1
79.05505	3.4
80.05019	1.5
81.07067	4.6
83.05008	1.0
83.08632	4.4
83.27911	0.9
86.06080	1.3
88.96876	1.3
90.94861	1.7
91.05482	20.4
93.07042	1.2
94.04198	4.0
95.04978	3.2
95.06091	15.6
95.08601	1.8
97.02901	1.9
97.07664	9.4
97.10186	2.2
100.02484	1.0
100.07610	2.0
101.00943	1.4
105.03390	4.8
105.04523	0.8
105.07037	1.0
107.04969	2.4
107.08600	3.0
109.06543	4.0
111.08118	1.0
111.98459	6.4
113.96380	0.9
118.03484	1.2
119.01912	6.2
119.04948	34.4
121.06483	1.8
121.10154	1.4
122.03633	9.4
123.04470	4.0
125.05904	0.9
129.99518	4.4
131.01884	1.7
132.05026	1.1
132.95842	11.7
133.02837	12.0
133.10150	0.9
135.04459	2.0
135.11703	0.9
137.05975	100.0
138.05391	1.4
138.06320	3.4
145.03494	0.9
147.04411	36.6
148.04704	1.4
150.06091	1.0
150.96890	20.3
151.03923	4.2
151.06421	0.9
151.07564	2.8
152.07060	1.0
153.05396	1.8
154.13411	3.1
154.90770	1.0
155.06665	1.9
155.97420	7.1
156.97574	1.4
158.06602	1.2
165.05510	3.2
170.06628	0.8
170.08150	0.9
171.06151	1.3
171.10904	1.8
172.95291	2.4
173.07732	4.9
173.98494	12.6
174.06122	4.8
174.98640	1.5
176.33990	0.8
179.06960	5.3
179.08992	2.7
179.10582	1.4
179.99132	1.0
180.07487	1.2
189.11977	1.8
190.96350	1.3
192.07275	1.0
196.91846	1.4
197.06094	1.5
197.07700	15.4
197.09395	1.2
198.00142	2.6
198.06078	1.0
198.07848	1.1
198.18530	69.7
211.74112	0.8
215.08757	19.7
216.01263	2.2
216.08931	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	Methyl everninate
Peak:m/z	Relative Intensity
51.02375	1.4
53.03952	3.0
55.01870	3.5
55.05507	3.6
57.07082	3.0
59.68244	0.6
65.03934	2.7
66.04722	1.1
67.05508	1.8
69.07073	2.8
70.06587	0.8
70.95873	4.0
71.08626	1.1
72.08147	0.9
72.93786	2.6
77.03923	5.7
79.05497	12.1
81.03417	0.8
81.07061	8.1
82.06554	1.1
83.04964	1.0
83.08620	2.6
84.04492	1.3
86.09685	0.7
91.05486	44.9
93.07023	1.4
94.04188	7.1
95.04501	0.8
95.04983	6.3
95.06096	1.6
95.08607	0.7
97.02884	0.6
97.06529	0.6
97.10183	1.2
100.07626	1.5
105.03395	27.9
105.04510	1.5
105.06995	0.8
107.04957	6.2
107.08626	1.6
109.05773	1.5
109.06522	30.1
109.10133	0.8
110.06849	1.3
111.04460	1.3
111.98489	4.1
113.02258	0.7
117.47586	0.6
119.04951	12.5
121.06454	1.0
122.03658	12.1
123.04431	5.7
125.06013	0.8
127.08675	0.8
129.99530	2.3
132.95840	6.4
133.02859	100.0
134.03207	3.4
135.04427	5.6
135.11719	0.7
136.46413	0.6
136.93130	1.4
137.05981	73.9
138.06331	1.7
147.04430	4.9
147.05418	1.0
150.96893	11.4
151.03931	2.0
151.07539	2.1
153.05495	3.5
154.94151	1.2
155.97427	4.1
164.04733	1.0
165.05482	34.4
167.07086	2.7
168.97963	0.7
169.06561	0.9
170.08192	0.9
172.95238	1.5
173.98506	7.6
179.10719	0.8
182.05730	0.9
190.96306	1.0
192.52309	0.7
196.91829	1.1
197.04315	1.1
197.07928	3.0
197.11562	0.9
198.18536	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03955	3.5
53.67192	1.6
55.01868	4.6
55.05513	13.1
57.07071	5.2
67.05508	8.0
69.03430	5.0
69.07066	8.8
69.35383	14.1
70.95868	7.5
71.04989	1.9
72.93800	4.5
73.02931	3.8
79.05498	5.4
81.07047	17.1
83.04985	6.3
83.08622	6.1
85.02924	2.6
85.06577	2.2
86.06078	2.4
91.05479	17.1
93.07047	21.1
95.04976	17.0
95.08611	4.4
97.06518	5.9
97.10207	3.7
99.04485	3.1
105.07041	26.1
107.07881	2.4
107.08600	39.5
109.06515	14.2
109.10162	9.7
110.03654	3.3
111.98458	3.9
117.07032	1.9
118.01654	1.9
118.07853	2.0
119.04989	3.5
119.08600	8.6
121.06518	5.7
123.04437	14.7
123.08081	4.2
123.11653	3.0
125.02358	6.4
125.05959	10.4
127.03951	3.6
129.99474	2.4
131.08522	3.3
132.95848	10.7
133.06470	2.2
133.10124	42.4
135.08031	2.1
135.11691	28.3
137.05975	28.5
137.09616	10.0
140.04683	100.0
141.05334	1.8
141.07036	3.7
142.63138	2.2
150.96893	12.4
151.03922	20.5
151.05005	2.0
151.07535	3.5
151.11191	6.5
155.07050	65.5
155.08394	4.3
155.97450	5.1
161.09621	21.9
161.13223	2.1
165.05582	2.1
167.08559	3.6
169.10156	6.1
173.08109	4.9
173.98528	9.9
179.05598	1.9
179.07123	4.7
179.10666	56.3
180.06134	2.4
182.10951	3.9
197.06136	4.8
197.08119	15.9
197.09764	4.0
197.11749	31.9
197.13275	8.1
198.02214	3.6
198.18524	88.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0808
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.00312	0.3
53.03940	0.7
54.01883	0.2
55.01874	2.5
55.05500	0.7
65.03929	2.3
67.05506	2.7
69.07074	0.4
69.76052	1.0
70.95853	1.1
71.01352	0.3
72.93819	0.5
73.02915	20.1
74.03256	0.4
77.03931	0.4
79.05507	0.4
80.02654	0.3
81.07066	0.5
85.02912	0.4
89.03920	0.3
91.05479	3.0
93.03387	1.4
93.07026	0.3
95.04987	1.4
97.10146	0.3
98.23286	0.3
105.04520	0.3
108.02082	2.6
109.02846	0.3
110.03659	2.7
111.04453	1.5
111.98466	1.0
117.03397	0.6
119.04948	2.2
121.03997	0.3
123.04395	0.3
125.05988	13.8
127.03873	0.3
129.99527	0.7
132.95830	1.6
136.01530	0.4
136.05168	0.3
137.05975	2.2
141.05446	2.5
141.07025	0.4
147.04433	0.3
149.05980	3.1
150.96907	2.0
151.03908	100.0
151.04997	9.6
151.07436	4.0
152.04228	3.1
155.97424	0.9
169.06436	0.3
173.98483	1.5
179.07022	17.3
180.07388	0.6
197.06023	1.2
197.08107	4.6
198.18532	6.9
202.12433	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
50.33964	0.2
53.03952	0.5
55.01874	2.4
57.03419	0.3
65.03932	2.1
67.05511	1.9
68.99805	0.2
69.44727	0.6
69.45141	0.9
70.95856	0.3
73.02917	21.2
80.02642	0.3
81.07058	0.2
85.02915	0.3
91.05477	2.6
93.03384	1.1
95.04967	1.2
98.22627	0.3
105.04468	0.3
108.02081	2.5
109.02910	0.3
110.03657	2.7
111.04476	1.5
112.01550	0.4
117.03346	0.4
119.04946	1.9
120.28822	0.2
121.04031	0.3
123.04436	0.3
125.05991	15.4
127.50261	0.2
132.95844	0.4
136.01543	0.4
137.05940	1.4
141.05470	2.9
149.05994	2.7
151.03909	100.0
151.04997	9.7
151.07451	3.7
152.04245	2.6
152.05344	0.4
179.07034	17.2
180.07355	0.6
197.08078	4.9
198.18500	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29459	0.3
52.64472	0.3
55.01871	2.6
55.05507	1.6
57.03444	2.5
57.07079	1.1
62.27856	0.3
65.03936	1.7
67.05493	2.0
69.03417	0.5
69.07062	1.3
69.34007	0.7
69.34419	1.6
70.95859	1.5
71.05013	0.4
71.08627	0.6
72.93775	0.9
73.02918	21.3
79.05492	1.0
81.03448	0.3
81.07064	0.5
83.08627	0.9
85.02928	0.4
89.03939	0.4
91.05497	2.9
93.03396	1.2
93.07041	0.9
95.04951	2.0
95.08614	0.6
97.06471	0.4
97.10177	0.4
105.03384	0.3
105.07047	0.7
107.08614	0.7
108.02089	2.1
109.06549	0.7
110.03666	2.5
111.04462	1.7
111.98468	0.9
113.23093	0.4
115.05429	0.8
119.04957	1.4
121.10180	0.4
125.05994	14.6
128.06233	0.4
129.99559	0.7
132.95859	2.3
133.10088	0.4
136.01561	0.5
137.05968	4.5
140.04691	1.3
141.05447	2.0
141.06989	9.3
149.05989	2.8
150.96921	2.8
151.03912	100.0
151.05002	8.9
151.07425	4.2
152.04237	2.9
152.07732	0.3
153.07033	0.4
154.07777	1.5
155.04916	0.8
155.07042	0.9
155.08398	0.4
155.97441	1.4
156.05746	0.7
167.08580	0.8
168.05696	4.3
169.06470	3.5
169.10146	4.5
173.98477	1.9
179.07040	17.9
179.99100	0.4
180.07344	0.7
180.55379	0.4
182.05714	0.5
182.07246	0.7
197.06013	6.0
197.08095	4.7
197.09673	5.1
197.13361	1.1
198.18527	19.3
206.41298	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	1135-23-5
Peak:m/z	Relative Intensity
55.05513	2.6
57.03439	100.0
58.91679	0.8
67.05514	1.1
69.59338	3.2
69.59737	2.1
70.95897	2.3
74.70983	0.9
81.07024	1.3
91.05484	1.3
93.07054	1.0
95.08597	1.1
95.95125	0.9
98.22695	1.1
107.08641	1.7
111.98484	3.4
129.99498	0.8
132.95866	3.7
133.10112	1.0
141.06987	3.0
144.77498	1.1
150.96941	4.6
151.03928	1.4
155.08447	0.9
155.97456	1.9
161.38911	0.9
168.05753	1.8
169.06514	2.6
169.10199	3.2
173.98560	4.0
179.10550	1.4
182.07182	0.9
182.10999	1.1
197.06161	1.1
197.08099	5.0
197.09692	2.7
197.11533	0.9
197.13254	1.8
198.18536	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
55.01871	1.3
55.05509	2.0
56.42424	0.5
57.07064	0.9
58.74868	0.5
59.04993	0.8
60.90371	0.6
61.02927	1.9
65.03941	0.9
67.05504	3.9
69.03429	2.0
69.07065	1.6
70.49599	1.4
70.95859	0.6
71.05004	0.6
73.02914	1.7
75.73113	0.5
79.05487	7.2
81.07059	7.0
83.04993	0.8
83.08620	0.7
85.06515	0.7
91.05480	15.1
93.07041	19.6
95.04961	2.5
95.08613	5.6
97.06514	1.7
105.07029	29.1
106.07299	1.1
107.08591	100.0
108.08920	2.0
109.06503	3.9
109.10154	5.5
115.05428	1.0
117.07059	1.0
119.04953	1.1
119.06059	1.2
119.08578	14.7
121.06517	3.0
121.10141	16.8
122.10494	1.2
123.04453	0.6
123.08067	2.5
123.10923	0.6
123.11703	3.3
124.56426	0.7
125.05959	1.5
125.09616	1.3
127.03884	0.6
128.06207	1.5
131.08548	2.8
132.95837	1.5
133.06558	1.3
133.10127	54.8
134.10464	1.5
135.08035	0.9
135.11682	1.3
137.05969	5.6
137.09613	3.5
139.07520	4.0
141.07018	1.2
143.08574	2.7
146.07227	1.0
149.09627	10.0
151.03920	0.6
151.07573	3.1
151.11179	16.6
155.08546	2.1
156.09288	0.7
161.09618	16.0
162.09904	0.9
167.08556	0.9
167.10675	25.5
168.10959	0.6
169.10133	2.0
179.10667	35.7
180.10977	1.3
182.10860	1.2
196.07559	0.6
197.05910	1.1
197.11719	46.3
197.13229	3.1
198.12035	1.7
198.18512	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03943	1.6
55.01871	6.2
55.05511	12.3
57.03435	1.2
57.07071	1.6
59.04992	2.0
67.05502	7.1
69.03425	2.5
69.07056	1.6
69.34908	7.1
69.35248	0.9
71.04974	1.1
79.05505	8.0
81.07058	19.6
81.15200	1.1
83.04974	1.9
91.05477	18.6
93.07044	26.3
95.04973	8.8
95.08603	3.7
97.06503	3.9
98.23315	2.3
99.04464	5.3
99.23735	1.0
105.03419	1.3
105.07024	32.3
107.04879	1.1
107.08591	63.0
108.08902	2.8
109.06521	12.1
109.10145	12.1
111.04474	2.5
117.06992	1.4
118.07865	1.3
119.04946	2.2
119.06100	1.3
119.08589	11.1
121.06507	7.7
121.10192	1.3
123.04424	4.2
123.11690	3.9
125.05989	43.9
127.03905	14.6
128.06192	2.0
131.08534	3.6
133.10126	69.6
134.10501	2.8
135.08098	1.5
135.10654	2.3
135.11696	47.0
137.05972	55.5
137.09607	15.3
138.06310	1.4
143.08565	3.7
146.07278	2.1
151.11229	6.3
161.09616	36.8
169.10175	1.2
179.10670	100.0
180.10982	3.4
197.11732	54.2
198.12036	1.3
198.18556	3.8
218.12325	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79307	0.7
53.03922	1.7
54.21897	0.7
55.01847	1.6
55.05507	6.8
56.04806	0.9
57.03439	0.8
57.07059	2.3
57.31594	0.7
59.04982	3.4
65.03942	2.0
67.05499	7.0
67.94867	0.8
68.94276	0.8
69.03403	1.8
69.07059	4.2
70.45937	2.2
70.95851	3.6
71.04986	1.2
72.93763	2.3
73.02898	2.5
74.00571	0.7
77.20353	0.9
79.05498	7.9
79.17125	0.7
81.03433	0.9
81.07049	8.5
83.04970	1.3
83.08599	2.0
85.06553	1.2
86.06032	1.2
91.05479	20.7
93.07037	21.2
95.04955	9.3
95.08595	4.4
97.06536	1.9
97.10130	1.2
105.03377	4.2
105.07021	29.9
106.07314	0.9
106.38924	0.7
107.04889	1.1
107.08586	66.8
108.08918	0.9
109.06515	7.6
109.10139	6.3
111.04424	2.4
111.08087	1.1
111.98457	2.4
113.06031	1.1
115.05462	1.4
117.06960	1.2
118.07829	0.9
119.04945	3.2
119.06012	2.1
119.08582	8.7
121.06476	5.8
121.10114	1.5
123.04422	4.2
123.08054	2.6
123.11691	4.0
125.05957	3.5
127.03905	1.3
129.99495	1.6
131.08548	2.8
132.95821	4.7
133.06488	1.3
133.10124	68.8
134.10426	2.0
135.07988	1.2
135.11684	50.3
136.11995	1.9
137.05972	14.9
137.09612	4.8
139.06523	1.3
141.05402	0.9
143.08591	1.8
145.94829	0.8
146.07289	1.4
150.96890	8.5
151.03902	10.9
151.07533	1.1
151.11165	7.1
153.09044	1.0
155.08511	1.7
155.97420	3.1
161.09608	31.8
162.09941	1.2
167.07033	1.7
169.10132	0.9
173.98463	4.5
179.07129	3.0
179.10658	100.0
180.05875	0.9
180.10968	2.3
182.10892	1.6
197.06102	1.2
197.11716	60.1
197.13086	2.5
198.12018	2.4
198.18513	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03936	1.8
55.01868	0.9
55.05505	4.2
57.07062	2.6
59.05009	3.0
65.03944	1.5
67.05502	7.1
69.03415	1.4
69.07063	2.8
71.04962	1.2
71.29751	0.7
77.03891	0.7
79.05490	5.9
81.07057	8.1
83.04976	1.1
83.08633	1.3
85.06543	1.8
91.05482	22.8
93.07047	26.6
95.04984	7.4
95.08616	5.2
97.06516	0.7
97.10166	0.9
105.07030	32.9
106.07320	0.8
107.04943	1.4
107.08595	66.5
108.08925	1.7
108.30323	0.7
109.06528	6.8
109.10154	8.7
111.08086	1.0
117.07007	1.5
118.07829	0.9
119.04924	2.2
119.06106	1.1
119.08574	8.6
121.06500	6.5
121.10160	2.3
123.04440	3.6
123.08041	1.3
123.11714	3.4
128.06255	0.6
131.08560	2.3
133.10130	72.0
134.10422	2.5
135.08060	1.7
135.11690	55.4
136.12030	1.7
137.05974	4.9
137.09615	6.0
137.13246	1.0
139.07582	0.8
141.06923	1.2
143.08554	1.8
146.07274	2.0
151.11195	6.0
155.08549	3.2
156.09415	0.8
161.09628	34.0
162.09978	1.0
165.05515	0.7
167.08583	3.5
167.10666	0.8
169.10112	2.5
170.15294	0.8
179.10670	100.0
180.11009	2.8
181.10088	1.0
182.10896	4.0
197.11726	69.4
197.13278	6.4
198.12088	2.2
198.18526	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09953	0.4
53.03943	0.5
55.01874	1.4
55.05513	5.6
57.03448	0.4
57.07082	3.9
58.06595	0.5
60.08165	14.9
62.22832	0.3
67.05502	1.6
68.05032	5.6
68.99797	0.6
69.03419	1.0
69.06720	0.6
69.07067	6.7
70.06604	2.2
70.96198	0.8
71.05013	0.7
71.08620	1.5
72.04503	0.5
72.08152	1.6
74.09723	0.6
75.89153	0.4
79.05499	1.5
81.03403	0.8
81.07053	1.6
82.01456	0.5
82.06586	0.7
83.04980	0.9
83.08618	6.1
84.04485	0.4
84.08130	1.2
85.02908	1.6
85.10181	0.6
86.06072	1.8
86.09723	0.5
91.05458	0.4
93.07056	1.2
94.66253	0.4
95.06092	60.5
95.08589	1.5
95.95027	0.4
96.04502	0.5
96.06417	0.8
96.08138	0.8
97.02887	1.1
97.06527	1.1
97.10178	2.7
100.02480	0.8
100.07623	1.2
101.00873	1.1
107.04945	0.9
107.08606	0.8
109.02910	0.4
109.10126	0.4
110.09672	0.9
111.04463	1.4
111.05551	0.7
111.08054	0.7
114.09159	0.8
118.03531	1.2
119.01923	3.4
120.02041	1.8
121.01659	0.8
121.10101	0.7
123.04458	0.7
124.07597	0.9
128.52881	0.3
131.01974	0.5
134.06029	0.6
135.04405	1.6
136.04591	0.7
137.02986	0.9
137.10709	0.5
138.03032	0.4
138.09177	0.7
138.96431	0.7
139.02869	0.4
139.03899	2.5
140.04684	1.0
151.03894	1.2
152.07074	4.9
154.13391	12.2
156.97490	6.9
161.02933	0.4
174.98537	8.0
179.99045	1.2
180.06557	0.8
181.04968	2.5
193.02051	0.4
198.00081	1.5
198.07689	1.0
198.12596	2.8
198.18532	100.0
198.98528	1.2
199.06029	0.4
199.18921	2.7
199.25322	0.4
206.99535	0.4
216.01256	1.0
216.07059	0.5
216.08954	0.6
216.99583	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.9854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.2
60.08154	0.6
62.19008	0.2
65.34399	0.1
68.05032	0.3
69.03445	0.2
69.07098	0.1
69.42955	0.1
70.79973	0.2
70.80270	0.2
73.06463	0.1
81.03425	0.2
82.99827	0.2
86.03684	0.2
95.06096	3.0
96.06420	1.0
101.00877	1.3
102.94374	0.3
113.05083	0.2
119.01914	2.9
120.95317	1.1
124.32890	0.2
137.02962	0.4
138.96402	9.7
139.96477	0.6
148.96045	0.2
154.09779	0.2
154.13403	0.6
155.13689	0.3
156.97478	87.3
157.97548	3.7
158.52142	0.2
158.97984	0.2
174.98535	100.0
175.98633	4.4
176.98946	0.5
179.99052	1.1
180.97466	0.9
180.99181	0.8
187.52328	0.2
196.53012	0.5
198.00124	0.9
198.18497	1.4
198.86269	0.2
198.87694	0.5
198.98540	14.6
199.00244	1.7
199.18892	0.6
199.98636	0.6
216.99583	38.5
217.99620	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0601
Annotation	Methyl-4-O-methylgallate
Peak:m/z	Relative Intensity
51.02370	0.6
52.69462	0.3
53.03709	0.4
53.03946	5.3
55.01872	1.3
57.07936	0.2
58.56584	0.2
65.03940	3.5
67.05183	0.3
67.05505	2.8
68.99767	0.3
70.47080	0.5
74.09707	0.3
77.03918	1.0
79.05510	0.2
81.03410	0.9
82.04199	0.3
84.54823	0.3
92.02629	0.3
93.03391	0.9
95.04968	26.5
96.05306	0.6
97.02905	2.1
105.04521	2.6
107.01263	0.3
107.04976	0.3
108.02100	0.5
109.02906	0.4
110.03651	1.9
111.04446	1.9
116.97174	0.4
120.02084	0.7
121.02856	2.4
121.04010	0.4
123.04427	12.5
124.04765	0.5
125.02351	16.3
137.02322	0.7
138.03110	0.2
139.03918	0.6
140.04678	100.0
141.05013	2.1
149.02347	0.5
153.05511	0.4
154.06331	0.3
155.07024	12.4
166.02643	0.6
167.03391	1.2
172.56458	0.3
173.08110	1.1
181.04974	4.4
189.96469	0.3
199.05997	1.1
199.14815	0.3
199.18851	1.3
210.82375	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0601
Annotation	Methyl-4-O-methylgallate
Peak:m/z	Relative Intensity
51.02388	1.0
53.03947	1.8
55.01870	2.3
55.05517	3.7
56.12787	0.4
57.07072	0.5
65.03947	3.8
66.04730	0.4
67.05500	4.9
68.02658	0.6
69.05966	3.1
69.07063	1.2
74.09718	0.6
79.01861	1.2
79.05490	3.0
81.03439	0.8
81.07060	1.9
83.01339	0.9
83.04990	2.6
91.05482	1.3
93.03416	1.1
93.07051	0.8
94.04189	1.0
95.04972	9.6
96.02114	1.3
97.02901	1.8
101.06014	1.6
105.04518	0.6
105.07027	2.2
107.01316	38.5
107.04958	1.1
107.08598	1.1
108.01623	1.0
109.06512	2.9
110.03679	1.3
111.04437	4.8
115.05446	0.5
119.08560	0.8
123.04427	18.6
124.01569	1.2
125.02357	13.4
125.09663	0.8
126.02657	0.4
128.06262	1.2
129.05534	0.6
129.07034	0.9
135.00784	10.3
135.08054	0.8
135.11728	0.6
137.05939	1.3
139.03905	16.1
139.72722	0.5
140.04683	58.9
141.05229	1.4
142.07773	1.8
143.08585	3.0
152.01039	6.2
153.01828	6.9
153.12721	0.5
155.07047	1.6
156.09319	1.5
157.04965	4.4
157.10120	4.8
167.03398	100.0
168.03740	3.3
170.02100	1.5
170.10909	0.5
171.11716	1.4
181.12247	0.5
184.08827	0.6
185.04465	6.1
199.03963	0.9
199.05974	4.2
199.11116	2.6
199.14839	4.9
199.18793	2.4
219.79651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0754
Annotation	3,4-Dihydroxyfluorene
Peak:m/z	Relative Intensity
52.01310	0.2
55.05506	0.9
56.96567	0.2
57.93573	0.2
69.07052	0.6
69.53127	1.3
74.09721	1.5
78.04700	0.2
78.74269	0.2
79.05471	0.5
81.07057	0.6
81.41051	0.2
81.96024	0.2
83.08604	0.5
84.08958	0.3
91.05481	2.4
92.05806	1.4
93.07034	0.4
98.22640	0.2
98.97572	0.9
100.07605	0.4
102.04689	0.3
103.05428	0.2
105.07039	1.1
107.08582	0.3
111.04428	0.7
115.04655	0.4
115.05453	6.1
116.97218	1.5
116.98596	0.6
117.06999	0.3
119.08579	0.4
121.10153	0.3
127.05464	0.3
128.06221	22.2
129.07001	0.5
131.04803	0.2
131.99527	0.4
134.99669	0.4
135.08051	0.2
141.06985	5.8
142.07813	1.3
143.08575	2.4
152.06210	0.3
152.96947	0.4
153.06999	0.3
155.04919	0.5
155.06030	0.7
156.05695	25.3
156.09312	0.9
157.06059	0.9
157.10106	2.5
160.05228	0.3
168.05711	1.0
169.06433	0.7
169.10143	0.3
170.10898	0.3
171.08023	2.9
171.11667	0.9
175.98491	0.6
181.10066	0.3
184.05194	62.4
185.05511	2.6
199.07541	100.0
199.14786	3.4
199.18896	6.8
200.07904	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0965
Annotation	7-Deoxyloganetate
Peak:m/z	Relative Intensity
53.03956	1.5
53.14623	1.3
55.01873	10.6
55.05512	7.7
57.03427	1.3
57.07069	1.8
61.12029	1.2
65.03945	2.4
67.05508	14.7
69.03435	11.6
69.07075	13.7
69.13603	10.0
70.07397	2.2
71.04996	3.2
72.04525	1.3
72.84721	1.3
74.09721	8.5
79.05495	27.1
81.07052	10.0
83.01356	6.3
83.04983	11.8
83.08614	2.2
85.02910	1.3
86.09722	2.4
91.05487	26.0
93.07042	7.6
95.04981	4.3
95.08595	2.7
97.02897	9.3
97.06538	18.7
98.97600	3.1
99.04459	2.1
100.07637	1.6
105.07038	17.1
107.04967	3.3
107.08598	96.8
108.08918	2.6
109.06522	8.5
109.10162	29.6
110.10511	1.3
111.04452	15.1
111.08111	2.1
115.05476	10.9
116.97214	4.1
116.98597	1.2
117.07032	16.6
118.96096	1.2
119.06100	5.6
119.08593	2.1
121.06510	1.7
123.04431	3.4
125.05992	13.1
125.09647	9.0
128.06189	1.4
129.06960	2.5
135.08061	100.0
135.76581	1.3
136.08418	3.4
137.06027	1.3
137.09631	5.1
141.06970	1.3
142.07820	2.8
143.08556	4.7
145.06497	1.3
153.09113	26.2
154.09418	1.4
155.07080	1.6
157.10126	6.4
163.07542	57.0
163.08908	2.9
164.07962	2.0
171.08072	1.3
171.11688	2.5
175.98593	2.9
181.06509	1.8
181.07074	1.7
181.08611	10.9
181.09969	1.6
182.08218	1.3
199.11201	3.8
199.14886	7.7
199.18913	36.9
203.71416	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.5
53.14623	1.3
55.01873	10.6
55.05512	7.7
57.03427	1.3
57.07069	1.8
61.12029	1.2
65.03945	2.4
67.05508	14.7
69.03435	11.6
69.07075	13.7
69.13603	10.0
70.07397	2.2
71.04996	3.2
72.04525	1.3
72.84721	1.3
74.09721	8.5
79.05495	27.1
81.07052	10.0
83.01356	6.3
83.04983	11.8
83.08614	2.2
85.02910	1.3
86.09722	2.4
91.05487	26.0
93.07042	7.6
95.04981	4.3
95.08595	2.7
97.02897	9.3
97.06538	18.7
98.97600	3.1
99.04459	2.1
100.07637	1.6
105.07038	17.1
107.04967	3.3
107.08598	96.8
108.08918	2.6
109.06522	8.5
109.10162	29.6
110.10511	1.3
111.04452	15.1
111.08111	2.1
115.05476	10.9
116.97214	4.1
116.98597	1.2
117.07032	16.6
118.96096	1.2
119.06100	5.6
119.08593	2.1
121.06510	1.7
123.04431	3.4
125.05992	13.1
125.09647	9.0
128.06189	1.4
129.06960	2.5
135.08061	100.0
135.76581	1.3
136.08418	3.4
137.06027	1.3
137.09631	5.1
141.06970	1.3
142.07820	2.8
143.08556	4.7
145.06497	1.3
153.09113	26.2
154.09418	1.4
155.07080	1.6
157.10126	6.4
163.07542	57.0
163.08908	2.9
164.07962	2.0
171.08072	1.3
171.11688	2.5
175.98593	2.9
181.06509	1.8
181.07074	1.7
181.08611	10.9
181.09969	1.6
182.08218	1.3
199.11201	3.8
199.14886	7.7
199.18913	36.9
203.71416	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
53.03939	2.5
55.01876	5.7
55.05513	5.4
56.05847	0.9
57.03408	0.8
57.07067	1.6
57.27157	0.5
65.03931	1.1
67.05511	3.6
69.03436	6.3
69.07069	5.1
70.07384	1.2
70.17516	1.6
71.04977	1.3
72.04498	1.4
73.08532	0.5
74.09715	5.5
77.03933	1.1
79.05499	8.2
81.03380	0.6
81.06643	0.5
81.07049	3.4
83.04984	2.6
83.08607	2.0
86.09692	1.3
91.04953	1.0
91.05482	10.2
93.07051	13.2
95.04968	6.4
95.08605	2.1
97.02895	0.7
97.06561	2.9
98.97582	1.3
100.07629	1.4
103.05469	9.2
105.04514	1.1
105.07031	13.9
107.04959	4.8
107.08605	6.4
108.08923	0.7
109.06495	1.6
109.10158	0.9
110.03671	4.5
111.04465	5.0
111.08070	1.3
111.11702	0.8
115.05424	1.8
116.97207	3.3
116.98616	1.1
117.07003	2.0
119.08577	5.6
121.06506	25.6
121.10135	1.4
123.04449	1.7
123.08102	1.0
125.02351	0.7
125.05933	1.4
125.09607	1.6
128.06227	9.0
129.07004	7.4
131.04932	0.8
131.08546	1.6
131.99521	0.8
133.10187	0.7
134.99664	0.7
135.08057	7.4
135.11719	1.0
138.03125	10.4
139.07558	3.0
140.04677	5.2
141.06985	11.2
142.07794	9.7
143.08562	20.4
144.09415	1.0
145.06500	0.9
145.10112	1.8
149.05983	26.8
152.06979	0.6
152.96941	1.4
153.05466	100.0
153.09100	1.8
153.12613	0.7
154.05814	2.0
154.07680	0.7
155.07190	0.8
155.08557	4.9
156.09354	30.3
157.06573	0.8
157.10127	25.3
158.07304	1.2
158.10794	1.0
159.08141	1.0
163.07477	2.7
163.11205	1.1
164.06932	0.8
165.06970	1.5
166.06425	1.1
166.07761	3.1
167.07036	8.1
169.06500	1.9
169.10132	2.6
170.10898	1.7
171.04382	0.7
171.08080	1.9
171.11685	17.9
172.11995	0.9
175.98547	2.0
181.08591	10.3
181.10127	3.8
181.12157	1.3
182.08133	1.6
183.08040	1.0
184.08853	7.3
184.12434	2.1
197.13304	0.6
199.03836	0.7
199.05966	0.6
199.07510	1.8
199.11188	24.7
199.14836	30.6
199.18864	26.4
200.11546	0.8
200.15179	1.5
200.19276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1118
Annotation	3-Hydroxybibenzyl
Peak:m/z	Relative Intensity
54.17779	0.7
55.01866	3.8
55.05497	2.5
57.07046	1.0
57.93552	1.0
69.03400	1.2
69.07056	2.1
69.22496	4.5
69.22908	1.9
74.09718	8.0
77.50729	0.7
79.05476	3.2
91.05466	3.6
93.07035	1.3
95.04942	1.2
98.97579	2.0
100.07638	2.1
103.05490	1.2
105.07048	4.9
107.04942	1.2
111.04413	1.2
115.05458	5.6
116.97224	4.3
116.98589	1.9
117.07017	1.8
119.04939	1.1
122.33282	0.8
128.05258	1.0
128.06215	23.1
129.07014	24.4
130.07758	2.8
131.04901	1.2
131.08559	2.9
131.99535	1.1
134.99620	1.5
140.06197	0.8
141.05939	1.7
141.06989	24.7
142.07782	38.0
143.04901	1.2
143.08572	36.2
144.05684	1.1
144.08852	1.2
145.06509	2.1
153.06975	2.7
155.06049	1.8
155.08566	10.0
156.09352	45.6
157.06508	18.2
157.10124	35.3
158.07271	9.7
159.08046	2.9
165.06976	7.0
166.07794	10.8
169.06474	8.6
169.07684	1.2
169.10130	2.7
170.07246	1.8
170.10919	2.3
170.72487	0.9
171.08078	12.0
171.11685	38.5
172.12086	1.5
175.98526	2.9
181.10127	11.0
183.08090	3.3
184.08839	27.7
184.12448	2.5
185.09146	1.6
199.11182	100.0
199.14857	13.8
199.18901	23.4
200.11534	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.05519	6.8
56.63573	1.5
57.03451	2.7
59.04986	2.5
62.91507	1.5
67.05519	5.6
69.03439	13.5
69.07071	38.8
70.46400	1.8
70.46742	3.5
71.04996	3.7
74.09743	2.3
79.05492	23.1
81.07061	66.8
82.07393	1.6
83.05009	3.0
85.02884	3.1
85.06555	2.6
91.05474	13.1
93.07047	36.6
95.04984	2.0
95.08614	9.5
97.06529	7.5
105.03400	4.3
105.07040	26.0
107.08598	100.0
108.08939	2.9
109.06522	34.3
109.10154	3.1
111.04447	3.1
111.08131	1.8
111.11728	7.3
117.07034	2.9
119.08581	4.6
121.10155	20.4
123.08089	7.6
128.06244	3.4
128.99570	1.5
129.07005	4.2
129.41191	1.8
135.11697	48.5
136.12027	1.9
137.09647	5.8
139.11171	31.0
142.07797	8.5
143.08578	11.9
145.10129	24.6
153.12770	5.8
155.08585	3.2
156.09346	2.9
157.10126	18.0
163.00253	1.7
163.11185	65.1
164.11530	2.1
171.11699	5.8
174.26080	1.5
181.12228	34.3
199.11197	2.5
199.14819	24.6
199.18832	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36273	0.3
55.01853	0.9
56.05048	0.3
56.96561	0.4
67.02373	0.3
71.35871	0.4
72.08165	0.5
73.02935	0.4
73.03396	0.4
81.07053	0.3
82.99825	2.5
84.08136	1.3
88.53067	0.3
97.02900	0.3
99.04458	0.6
100.02508	0.6
101.00888	28.5
102.00993	0.7
102.09235	0.4
113.00860	4.6
114.01024	0.6
116.46832	0.3
117.99855	0.4
118.03538	1.0
119.01932	100.0
120.01996	3.2
120.03290	0.4
121.01662	1.1
121.02438	0.4
124.02486	0.6
129.03865	0.3
131.01921	25.8
132.02003	2.3
133.01691	0.6
133.03476	1.5
136.04579	0.7
137.02971	32.1
138.03099	1.0
140.96024	0.3
142.03523	5.8
143.01904	0.4
145.03464	3.3
145.10138	0.3
149.02975	10.9
150.03011	0.8
151.04605	0.7
155.01962	0.7
155.03673	2.1
156.03255	0.6
158.97226	2.2
158.99884	0.7
159.01382	0.6
160.04579	8.4
161.02979	1.1
163.04576	1.9
173.03004	11.3
173.04730	2.6
174.03075	0.5
174.04399	0.7
176.98346	2.8
177.00984	4.8
177.02492	1.3
178.01215	0.6
178.02600	1.2
178.05634	3.7
179.02428	0.3
179.04037	0.6
183.00006	0.4
183.01439	1.3
183.03180	0.5
189.06221	0.4
191.04051	10.4
191.05779	0.9
195.03481	0.6
197.02997	0.5
201.02470	33.0
201.04077	2.0
201.16278	0.6
202.02673	1.2
202.14612	0.3
202.18153	0.5
219.02184	4.0
219.03618	42.4
220.03781	2.4
224.04024	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1122
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
55.01869	6.7
55.05508	7.5
57.03442	2.6
57.07076	4.7
67.05176	2.7
67.05508	41.0
69.03416	2.9
69.07049	7.3
71.30609	3.2
79.05497	10.5
81.07060	36.7
83.04912	1.7
91.05476	16.6
93.07058	20.7
95.04958	4.8
95.08611	24.8
97.06543	3.4
99.04459	4.8
103.05470	2.0
105.07037	29.2
106.07324	2.1
107.08595	20.0
109.06541	2.4
109.10158	100.0
110.10503	4.2
115.05413	9.9
117.07034	21.5
118.96740	5.6
119.08569	25.0
121.06512	3.6
121.10196	10.3
123.11697	2.1
125.05979	11.7
128.06180	9.2
129.06979	11.5
130.07780	9.2
131.08571	52.9
133.10112	15.0
137.09616	81.6
138.09949	2.4
141.07001	35.4
142.07733	5.7
143.08572	18.1
144.05760	2.2
144.09299	10.0
145.06454	6.4
145.10124	94.9
146.10524	3.9
152.44783	1.8
153.06973	2.9
155.08536	5.5
155.10652	19.3
156.09244	2.1
157.06419	3.0
157.10168	10.0
158.07297	29.2
158.10899	12.1
159.08075	9.5
159.11699	67.4
160.12108	3.8
165.09128	20.8
169.06476	17.3
169.07791	2.6
170.07254	10.8
171.08046	4.1
171.11673	2.7
172.08830	5.5
172.12392	2.8
173.09615	17.8
173.11864	3.6
173.13264	39.9
174.13527	2.2
177.98048	2.6
183.10143	4.2
183.11632	5.2
185.05954	2.5
186.06790	36.9
186.10344	15.5
187.07077	2.5
201.05411	6.4
201.09093	94.3
201.12746	34.2
201.16379	91.2
202.09518	3.8
202.13028	3.2
202.16714	3.1
217.65601	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1122
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
53.03944	1.2
54.24762	0.9
55.01870	3.6
55.05510	4.2
57.03458	1.1
57.07078	0.9
66.48895	1.0
67.05505	37.6
69.07061	3.0
70.55389	1.9
71.04997	1.9
79.05494	6.5
81.07061	34.5
91.05473	6.8
93.07027	6.7
95.04969	7.4
95.08606	13.7
95.15337	0.9
97.06541	1.5
99.04458	2.3
99.08082	2.1
105.07026	5.6
107.04964	1.2
107.08602	3.9
109.06535	1.7
109.10159	100.0
110.10511	3.0
111.04446	5.3
115.05491	1.9
116.06202	0.9
117.07037	4.7
118.96783	1.2
119.08591	8.9
121.10154	4.1
123.04452	2.4
125.05965	5.2
129.06982	1.4
130.04190	1.5
130.07794	1.5
131.08569	7.5
137.09621	57.2
138.09985	1.5
141.07013	3.3
141.57286	1.0
143.07430	0.8
143.08585	1.9
144.09364	1.2
145.06541	1.7
145.10133	16.8
147.08060	7.4
155.08617	1.4
155.10667	12.6
157.10115	1.7
158.03667	1.6
158.07272	2.5
159.08136	1.4
159.11694	10.6
160.07579	7.5
165.09113	18.5
173.06015	2.7
173.13264	4.6
177.98111	1.1
183.10153	2.3
186.06731	2.7
186.10368	1.4
201.05397	4.7
201.09099	6.7
201.12766	4.1
201.16397	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1274
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
55.05503	0.9
57.07059	0.9
57.76197	0.4
59.05000	0.4
66.04337	0.4
67.05496	1.1
69.07059	0.8
69.27650	2.7
77.25956	0.4
79.05472	1.1
81.07058	1.6
91.05480	5.6
93.07025	1.4
95.08600	1.4
98.22794	1.5
105.07033	6.2
107.08592	1.7
115.05450	1.4
116.06233	1.0
117.07018	6.5
119.08578	3.2
121.10139	0.9
128.06219	1.2
129.07024	4.1
130.07755	2.4
130.16655	0.4
131.08572	24.2
132.08871	0.5
133.10100	1.4
141.07027	2.0
142.07791	3.3
143.08566	3.8
144.05774	0.6
144.09337	2.7
145.06485	1.8
145.10121	15.9
146.10498	0.5
153.07043	1.0
155.08531	4.9
157.06514	3.0
157.10129	6.5
158.07283	6.8
158.10873	1.6
159.08058	8.5
159.11700	16.1
160.12032	1.0
161.09550	0.5
168.09369	3.6
171.11757	0.6
172.08815	0.9
173.09688	2.0
173.13266	5.3
183.11710	7.1
185.09619	2.6
186.10414	4.7
201.12744	100.0
201.16377	7.8
202.13063	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1273
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
53.03934	1.3
55.05494	2.5
57.07062	1.7
65.03933	1.0
67.05499	11.6
69.03415	1.8
69.07062	5.2
71.29249	0.9
79.05128	0.6
79.05497	6.5
81.07053	12.8
83.04993	0.7
83.08619	0.8
84.33485	0.6
91.05470	14.7
93.07042	12.5
93.07607	0.8
95.04956	2.3
95.08607	10.4
103.05449	0.9
105.07023	24.1
107.04900	0.6
107.08585	8.6
109.06499	1.5
109.09447	1.0
109.10150	12.2
109.10849	0.4
109.24027	0.6
111.04417	1.1
115.05434	2.8
116.06219	2.2
117.07014	14.4
119.08574	24.5
121.06482	2.2
121.10120	4.9
121.84429	0.6
123.04465	0.7
123.11670	0.9
125.05959	0.7
125.08443	0.7
128.06178	4.9
129.07005	11.0
130.07819	5.8
131.08565	47.2
132.08878	2.0
133.10121	38.0
134.10431	1.3
137.09602	6.7
141.06960	3.3
142.07782	3.3
143.08556	33.1
144.09366	9.2
145.06479	3.5
145.10115	69.0
146.07233	1.1
146.10518	2.1
147.08049	2.6
147.11684	1.5
153.06950	2.1
154.07736	0.9
155.08545	3.0
155.10704	1.0
156.09337	1.7
157.06493	1.5
157.10120	8.5
158.07291	4.3
158.10902	36.0
158.55225	0.7
159.08066	9.2
159.11685	35.2
160.08762	0.9
160.12195	0.9
165.09103	4.6
168.09302	2.3
170.07288	1.0
171.08017	10.1
171.11670	4.6
172.07578	0.8
172.08830	9.7
172.12387	1.2
173.09659	13.0
173.13251	100.0
174.13554	3.6
183.11653	4.8
184.32262	0.7
185.09608	1.9
186.06818	1.8
186.10385	35.4
186.13936	1.7
187.10687	2.0
201.05409	0.9
201.09138	6.0
201.12735	69.6
201.16371	44.0
202.13135	2.9
202.16789	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1274
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
53.03946	1.4
55.05249	0.5
55.05500	1.9
57.07072	1.2
65.03937	0.9
67.05512	5.6
67.41345	0.4
69.03413	1.8
69.07069	2.6
70.69411	1.0
70.69754	0.6
77.03872	0.7
79.05497	5.5
81.07059	7.6
83.08601	0.9
88.70489	0.5
91.01351	0.4
91.05479	13.7
93.07043	10.3
95.04964	1.8
95.08608	5.9
103.05470	1.4
105.07031	18.8
107.08597	7.9
108.74484	0.4
109.06521	1.5
109.10159	2.2
115.05453	2.2
116.06221	1.5
117.07022	9.9
118.62199	0.5
119.08580	23.1
120.08908	0.6
121.06519	3.0
121.10164	3.5
127.13184	0.4
128.06221	5.4
129.07010	10.0
130.07790	6.0
131.08569	41.9
132.08929	0.7
133.10130	43.9
134.10475	1.3
141.06972	2.3
142.07791	3.5
143.08556	33.2
144.05748	1.0
144.09349	9.8
145.06505	3.7
145.10121	54.1
146.07260	0.9
146.10529	1.8
147.08025	1.2
147.11739	0.7
153.07007	1.9
155.08554	3.4
156.09302	1.9
157.06531	1.1
157.10118	6.6
158.07324	3.6
158.10905	40.5
159.08067	10.8
159.11687	23.8
160.08757	1.3
160.12079	0.7
161.09660	0.9
168.09360	2.7
171.08052	10.8
171.11731	3.0
172.08821	12.4
172.12408	1.1
173.09668	12.9
173.13255	100.0
174.09996	0.8
174.13618	4.3
183.11691	4.5
185.09645	1.6
186.10393	39.8
186.13870	1.3
187.10727	1.8
201.12741	73.4
201.16380	32.0
202.13091	3.2
202.16724	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
51.04848	0.2
52.70487	0.3
52.71106	0.2
55.05509	0.6
57.07078	0.8
59.93100	0.3
67.05501	1.8
69.07053	1.1
69.10558	2.5
71.08622	0.4
75.97607	0.2
79.05487	1.2
81.07056	2.2
87.64345	0.3
91.05485	3.1
93.07052	1.5
95.08595	1.9
100.62149	0.3
105.07029	9.8
107.08601	2.2
109.10120	0.5
115.05450	0.8
117.07021	6.5
118.96749	0.9
119.08572	5.7
120.18806	0.3
121.10168	0.8
128.06224	0.6
129.07005	2.7
130.07791	2.2
131.08566	21.4
132.08871	0.7
133.10156	1.9
133.99055	0.4
142.07777	1.3
143.08540	3.0
144.09329	7.2
145.10124	14.5
146.10501	0.4
147.11687	0.4
154.96449	0.5
157.10130	4.8
158.10918	1.9
159.11687	100.0
160.12033	3.6
171.11702	1.2
172.12445	0.4
173.09760	0.4
173.13254	5.2
177.98093	0.9
186.13980	1.1
201.09158	0.5
201.12674	1.0
201.16380	40.5
201.24210	0.5
202.16710	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03940	1.4
55.05507	2.7
57.07071	2.1
58.25487	0.5
61.25031	0.4
65.03935	0.8
67.05501	7.4
69.07068	5.6
69.93781	1.1
69.94136	1.2
71.08636	0.8
71.36668	0.4
79.05490	9.3
81.07055	16.1
83.08610	1.2
91.05479	12.5
93.07043	16.8
95.04951	0.7
95.08605	16.7
99.64928	0.5
103.05477	0.7
105.04489	0.8
105.07030	29.9
106.07398	0.6
107.08596	23.0
109.06500	0.5
109.10155	5.6
114.79162	0.5
115.05440	1.6
116.06224	1.0
117.07020	15.0
118.07372	0.5
119.08579	21.3
121.10146	9.2
128.06223	1.0
129.07013	4.4
130.07797	6.3
131.08566	37.6
132.08929	1.1
133.10127	9.8
135.11671	0.5
141.06990	0.7
142.07803	1.8
143.08568	6.2
144.09373	5.4
145.10120	69.7
146.10800	2.7
147.11655	1.4
153.07016	0.9
155.08559	1.1
157.10120	4.9
158.07309	0.6
158.10921	3.2
159.08035	2.1
159.11691	53.7
160.12146	1.8
168.09401	1.0
171.11624	2.5
172.08752	0.6
172.12456	1.1
173.05956	0.9
173.09657	1.0
173.13266	15.7
183.11621	1.3
186.06709	0.6
186.10364	1.0
186.14029	1.6
199.14903	1.1
201.05415	0.9
201.09146	4.6
201.12793	6.7
201.16382	100.0
202.16751	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
52.51070	0.5
53.03955	1.3
55.05509	4.6
55.73700	0.5
57.07076	1.7
58.42303	0.4
65.03933	0.7
67.05508	9.3
69.07071	9.1
69.15009	3.4
77.03911	0.6
79.05495	9.0
81.07059	24.9
83.08630	1.4
86.57495	0.4
91.04905	0.7
91.05477	14.7
93.07047	10.8
95.08608	17.5
103.05476	1.1
105.07035	27.0
105.56036	0.5
106.07381	0.5
106.57593	0.5
107.08596	12.0
108.08948	0.6
109.10146	3.4
115.05446	2.1
116.06243	1.1
117.07023	14.9
118.96767	0.6
119.08583	23.4
121.00420	0.5
121.10151	5.9
128.06236	1.6
129.06995	5.3
130.07790	9.2
131.08569	42.4
131.81967	0.5
132.08960	0.7
133.10136	22.1
135.11795	0.5
137.79059	0.5
141.07091	0.7
142.07770	1.8
143.08574	7.3
144.09338	6.8
145.10126	100.0
146.10635	4.1
147.11700	3.1
156.09319	0.8
157.10129	7.8
158.10884	2.9
159.11697	58.2
160.12138	2.2
161.13248	1.1
171.11664	4.2
172.12437	3.2
173.09644	1.9
173.13263	23.4
174.13641	1.4
177.98096	0.5
183.11694	0.6
186.14015	2.9
199.14810	1.3
201.09140	1.3
201.16386	95.6
202.16751	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	ar-Tenuifolene
Peak:m/z	Relative Intensity
52.08404	0.7
53.03943	1.4
54.99698	0.6
55.04567	0.5
55.05511	3.0
57.07064	2.6
59.39239	0.6
63.27758	0.6
65.03942	1.3
67.05506	21.6
67.37350	0.5
69.07064	8.0
69.32262	1.7
69.32668	2.1
71.08634	1.6
79.05495	8.9
81.07061	14.3
83.08617	2.0
85.55751	0.6
91.05479	17.6
93.07047	21.7
95.04951	1.1
95.08606	18.3
96.08970	0.7
103.05446	1.0
105.07033	32.3
106.07419	0.7
107.08596	21.1
108.08926	0.9
109.10155	56.1
110.10505	1.5
115.05444	1.7
116.06276	1.2
117.07020	25.5
118.96770	1.6
119.08584	23.3
121.10135	8.7
123.05537	0.9
123.11717	2.1
128.06239	1.8
129.07016	4.2
130.07808	5.9
131.08571	36.1
132.08884	0.8
133.10138	8.5
135.11652	0.9
142.07738	1.2
143.08574	7.4
144.09352	4.3
145.10124	81.8
146.10657	2.2
147.11652	1.8
157.10123	4.5
158.10910	4.1
159.11696	47.0
160.12160	1.4
168.09390	0.6
171.11679	2.5
172.12512	1.6
173.09645	0.6
173.13257	10.8
177.98126	1.0
186.14053	2.8
201.09158	1.9
201.12712	3.4
201.16386	100.0
202.16673	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	alpha-Calacorene
Peak:m/z	Relative Intensity
53.03947	0.7
55.05514	0.8
55.26355	0.5
57.07079	4.3
67.05501	3.3
69.07055	1.9
70.55436	0.5
70.55795	1.5
71.08630	5.0
79.05488	3.0
79.73681	0.5
81.07062	5.6
88.04869	0.5
91.05474	7.1
92.55988	0.5
93.07056	5.5
94.36533	0.5
95.08608	6.2
103.04155	0.7
103.05459	0.6
105.07027	18.4
107.02158	0.5
107.08599	6.5
109.10147	1.7
115.05441	1.6
116.06251	0.6
117.07015	11.8
118.07380	0.5
118.96753	1.5
119.08584	7.7
121.10146	1.8
128.06184	1.5
129.07013	3.4
130.07794	7.3
131.08568	23.3
133.10106	4.5
142.07803	1.5
143.08559	6.0
144.09346	4.4
145.06471	1.5
145.10120	100.0
146.10425	3.1
147.11702	0.5
155.08537	1.2
157.10143	3.3
158.10898	2.5
159.08075	1.4
159.11693	39.5
160.12048	1.3
171.11676	1.2
172.08772	0.6
172.12553	0.8
173.09573	1.6
173.13278	7.7
177.98055	0.8
186.10406	1.0
186.14006	1.1
199.14865	0.9
201.05836	0.5
201.09245	1.1
201.12778	6.6
201.16382	41.8
202.16742	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03942	1.2
55.05511	3.2
57.07077	3.6
57.17095	0.4
58.04329	0.4
65.03927	0.8
65.07306	0.6
67.05502	9.5
69.07063	8.0
69.85833	1.0
69.86241	1.5
71.08612	1.4
79.05486	8.8
81.07054	17.9
83.08618	1.5
91.04900	0.6
91.05476	12.6
93.07041	15.1
94.07378	0.6
95.04978	0.9
95.08604	17.3
98.23271	0.5
103.05482	0.6
105.07030	23.9
106.07336	0.6
107.08588	18.6
109.10145	5.2
115.05449	2.1
116.06223	1.5
117.07013	15.9
118.96749	0.9
119.08575	18.2
121.10139	9.0
123.08090	0.5
123.11736	0.6
128.06221	1.6
129.07011	5.8
130.07774	6.3
131.08565	33.4
133.10129	11.0
142.07745	1.5
143.08566	8.2
144.09344	7.7
145.10115	72.9
146.10892	3.5
147.11691	1.4
156.09319	1.0
157.10132	7.9
158.10928	3.9
159.11684	57.8
160.12131	2.1
170.49425	0.4
171.11673	3.5
172.12474	2.4
173.09642	1.0
173.13252	14.0
174.13524	0.6
177.98009	0.8
186.14009	3.7
199.14799	0.6
201.09064	1.2
201.12671	2.8
201.16377	100.0
202.16718	4.0
202.21638	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	ar-Tenuifolene
Peak:m/z	Relative Intensity
51.53084	0.5
51.64755	0.5
51.90026	0.5
53.03938	0.8
53.72974	0.5
55.05497	2.2
57.07059	1.0
61.71434	0.5
65.03949	0.6
67.05513	6.1
69.04204	2.0
69.04624	3.7
69.07070	4.4
74.32628	0.5
79.05495	6.5
81.06579	1.0
81.07058	18.1
83.08613	1.4
91.05485	9.1
93.06468	1.0
93.07049	18.3
95.08613	20.9
98.22543	1.1
105.07035	19.8
107.08599	31.3
108.08942	0.8
109.06564	0.7
109.10156	4.7
114.40099	0.5
115.05463	0.9
115.67645	0.6
116.06245	0.8
117.07014	6.4
118.96732	1.0
119.06055	0.5
119.08584	16.9
121.10156	7.0
128.06178	0.9
129.06996	2.4
130.07817	4.6
131.08577	22.2
133.10129	8.3
143.08583	3.1
144.09348	3.3
145.10127	69.0
146.10739	2.8
147.11684	1.1
154.96516	0.6
157.10130	1.6
158.10889	1.7
159.11699	36.7
160.12347	0.8
171.11699	1.3
172.12430	0.9
173.09666	0.8
173.13272	11.4
177.97993	0.7
186.14044	1.1
199.14824	1.2
201.16394	100.0
202.16718	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
52.68533	0.5
53.03946	0.7
55.05510	3.0
57.07081	2.4
65.03958	0.5
67.05502	9.2
69.07072	6.0
69.25009	4.4
79.05490	8.1
81.07061	18.7
83.08633	2.1
86.53969	0.5
91.05482	12.3
93.07047	19.3
93.07629	1.1
95.04947	1.1
95.08609	30.0
99.07951	0.6
99.32962	0.5
103.05453	0.7
105.07032	23.8
106.07398	0.6
107.08596	38.9
108.08893	1.5
109.10164	6.1
115.05457	1.2
116.06233	0.6
117.07014	12.1
118.96762	1.5
119.06129	0.5
119.08578	22.4
121.10162	8.5
128.06258	1.0
129.06984	3.4
129.70392	0.6
130.07806	7.5
131.08572	27.2
133.10132	10.4
135.11679	0.5
138.64728	0.6
142.07755	1.1
143.08578	6.1
144.09383	4.8
145.10124	86.6
146.10602	3.1
147.11674	1.5
157.10149	4.2
158.10849	3.1
159.11700	45.6
160.12248	1.6
163.68188	0.5
171.11679	2.1
172.12448	1.2
173.13274	14.5
173.14810	0.7
174.18550	1.6
177.98062	1.3
186.14078	2.0
201.09074	1.5
201.12894	2.7
201.16391	100.0
202.16690	4.1
221.24709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03935	0.8
55.05507	3.2
57.07074	3.7
57.22310	0.7
67.05495	8.0
69.07066	7.2
69.65269	2.6
71.08638	1.3
75.53985	0.8
76.21284	0.6
77.48776	0.6
79.05494	5.6
81.07053	22.1
81.07520	1.2
83.08640	1.8
91.05481	12.1
93.07037	14.3
95.08611	17.6
105.07030	25.8
107.08596	21.1
109.10142	6.8
114.61843	0.7
115.05453	1.1
117.07016	26.3
118.96758	4.5
119.08577	16.1
120.08946	0.7
121.10143	9.5
128.06232	1.9
129.06990	4.6
130.07777	6.9
131.08563	39.8
132.08963	0.8
133.10132	9.5
133.99101	0.8
141.06915	0.7
142.07799	1.2
143.08563	6.5
144.09343	8.2
145.10120	85.1
146.10918	5.0
147.11673	1.0
154.96457	0.9
157.10121	6.6
158.10919	4.0
159.11690	95.3
160.12123	3.1
171.11711	3.8
172.08850	0.7
172.12428	1.6
173.09625	1.0
173.13252	24.0
174.13560	0.9
177.98070	2.5
186.13991	3.9
201.12758	4.5
201.16379	100.0
201.23969	1.8
202.07802	1.3
202.16666	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
50.34956	0.9
55.05500	3.9
57.07075	6.4
63.02816	0.9
67.05173	1.1
67.05502	7.9
69.07067	5.7
69.17460	5.7
71.08649	1.1
79.05491	6.3
81.07059	15.0
83.08616	4.1
91.05474	12.1
93.07038	18.2
95.08041	1.5
95.08604	15.9
98.22615	1.8
103.05470	1.8
105.07024	30.9
107.08588	18.7
109.10136	3.6
115.05456	2.6
115.19306	0.8
116.06234	1.2
117.07020	21.6
119.08590	17.8
121.10139	8.7
126.62304	1.0
128.06206	2.5
129.07002	7.0
130.07800	8.7
131.08566	35.5
133.10121	10.4
141.07008	1.4
143.08572	7.9
144.09344	8.0
145.10120	96.7
146.10759	3.3
147.11618	1.5
155.06087	0.9
155.08580	2.3
157.10100	6.1
158.07285	1.6
158.10941	5.1
159.11685	72.9
160.12111	2.8
171.11691	3.5
172.12456	2.2
173.06010	1.4
173.13260	16.4
186.06743	3.5
186.14032	3.2
201.05463	1.4
201.09126	14.5
201.16388	100.0
202.16751	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71334	0.9
63.70784	0.9
69.07276	8.0
69.07697	1.7
70.06583	3.8
72.30955	1.1
73.02933	1.2
75.55447	0.9
88.08753	1.2
101.00888	6.2
116.07060	1.3
119.01904	8.9
131.01881	1.9
143.01904	6.8
161.02960	13.0
173.03047	1.3
203.05260	100.0
204.05585	1.2
221.05154	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.6
53.03949	13.9
55.01860	1.2
55.05513	2.0
58.39304	0.4
65.03930	0.7
67.05494	3.1
69.03428	5.2
69.07066	1.1
69.20970	3.6
77.03937	0.5
79.05487	4.0
81.07059	3.1
83.04971	0.6
88.97724	0.4
91.05479	12.2
93.07041	16.7
94.07391	0.5
95.04968	2.8
95.08609	2.7
97.02896	2.7
98.23344	1.0
103.05473	1.5
105.04497	0.9
105.07027	18.8
107.04948	1.0
107.08582	2.0
109.02877	51.3
109.06499	1.0
109.10144	1.6
110.03186	0.9
111.04431	2.4
112.64125	0.4
115.05461	3.7
116.06242	0.9
117.07011	5.8
119.04923	1.5
119.08575	16.5
120.08888	0.7
120.87975	0.5
121.06506	14.7
121.10137	1.3
123.04343	0.6
128.06209	6.4
129.06998	13.3
130.07816	0.9
131.04932	1.0
131.08549	7.5
132.05743	0.9
132.09293	0.6
133.06487	2.5
133.09200	0.8
133.10132	9.4
135.08057	1.6
137.05977	1.3
141.06979	8.7
142.07776	35.1
143.04881	1.1
143.08592	7.2
144.09343	6.5
145.06479	7.7
145.10100	2.6
146.07262	1.9
147.04437	0.7
147.08051	4.7
147.11682	8.0
152.73326	0.4
155.06038	0.7
155.08548	1.3
156.09398	0.7
157.06514	0.8
157.10121	33.3
158.07265	0.7
158.10643	1.4
159.08046	1.6
159.11693	7.0
160.05170	2.3
160.08846	6.7
160.12305	0.5
161.05969	2.5
161.09602	6.0
161.13255	1.8
162.06763	1.1
167.08577	1.8
170.07280	3.4
171.08043	2.4
173.05995	1.5
173.09618	1.3
174.06767	4.6
175.07555	7.3
175.11183	13.7
175.14807	1.1
176.11536	0.8
185.06073	0.7
185.09616	22.5
185.13177	1.0
186.10014	0.8
187.07552	0.8
188.04721	0.7
188.08325	15.5
189.08656	0.5
203.06987	3.6
203.10666	100.0
203.14359	3.5
203.17955	3.9
204.11028	3.9
204.19591	1.2
207.89705	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1066
Annotation	Ligujapone
Peak:m/z	Relative Intensity
51.02398	0.8
53.03709	0.9
53.03947	13.1
55.01869	1.3
55.05510	2.7
65.03934	0.9
67.05507	4.4
67.29697	0.5
69.03442	5.6
69.07058	1.7
70.36089	0.5
70.86494	1.2
71.48166	0.5
77.03880	0.7
79.05495	4.8
81.03365	0.6
81.07068	4.5
83.04958	1.0
83.08624	0.7
91.05485	14.2
93.07048	15.1
95.04955	3.2
95.08602	5.6
97.02905	2.8
103.05458	1.0
105.04494	0.6
105.07033	24.8
106.07381	0.8
107.04940	1.3
107.08582	4.5
109.02882	52.0
109.06509	1.4
109.10161	2.2
110.03188	1.6
111.04420	2.7
112.11280	0.5
115.05455	4.5
116.06286	1.0
117.07026	6.3
119.04960	1.5
119.08582	19.0
121.06516	15.3
121.10178	1.5
123.04463	0.7
128.06236	6.2
129.07007	13.6
130.06468	0.6
130.07756	1.7
131.04903	1.2
131.08578	8.3
133.06493	2.3
133.10144	12.8
135.08040	2.0
135.11725	0.6
137.05936	1.3
141.06995	9.2
142.07782	34.5
143.04904	1.1
143.08601	7.0
144.09340	6.1
145.06490	7.2
145.10149	4.6
146.07262	1.8
147.04399	1.9
147.08073	6.0
147.11700	12.1
148.33194	0.6
152.06306	0.6
155.04868	0.7
155.06007	1.3
155.08559	1.3
157.06487	1.1
157.10132	35.5
158.07242	1.0
158.09477	1.0
158.10640	1.7
159.08044	2.8
159.11694	7.2
160.05232	2.5
160.08841	6.5
161.06006	5.8
161.09631	6.9
161.13269	3.3
162.06764	1.1
165.07010	0.7
167.08589	1.6
170.07289	3.2
171.08076	1.8
173.05981	1.6
173.09605	1.2
174.06761	4.3
175.07564	8.9
175.11182	13.6
175.14816	1.9
176.11433	0.8
185.09624	25.9
185.13206	1.6
188.08321	15.7
203.06993	5.0
203.10672	100.0
203.14375	5.3
203.17969	7.6
204.07242	0.9
204.11031	4.1
204.19627	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.6
53.03949	13.9
55.01860	1.2
55.05513	2.0
58.39304	0.4
65.03930	0.7
67.05494	3.1
69.03428	5.2
69.07066	1.1
69.20970	3.6
77.03937	0.5
79.05487	4.0
81.07059	3.1
83.04971	0.6
88.97724	0.4
91.05479	12.2
93.07041	16.7
94.07391	0.5
95.04968	2.8
95.08609	2.7
97.02896	2.7
98.23344	1.0
103.05473	1.5
105.04497	0.9
105.07027	18.8
107.04948	1.0
107.08582	2.0
109.02877	51.3
109.06499	1.0
109.10144	1.6
110.03186	0.9
111.04431	2.4
112.64125	0.4
115.05461	3.7
116.06242	0.9
117.07011	5.8
119.04923	1.5
119.08575	16.5
120.08888	0.7
120.87975	0.5
121.06506	14.7
121.10137	1.3
123.04343	0.6
128.06209	6.4
129.06998	13.3
130.07816	0.9
131.04932	1.0
131.08549	7.5
132.05743	0.9
132.09293	0.6
133.06487	2.5
133.09200	0.8
133.10132	9.4
135.08057	1.6
137.05977	1.3
141.06979	8.7
142.07776	35.1
143.04881	1.1
143.08592	7.2
144.09343	6.5
145.06479	7.7
145.10100	2.6
146.07262	1.9
147.04437	0.7
147.08051	4.7
147.11682	8.0
152.73326	0.4
155.06038	0.7
155.08548	1.3
156.09398	0.7
157.06514	0.8
157.10121	33.3
158.07265	0.7
158.10643	1.4
159.08046	1.6
159.11693	7.0
160.05170	2.3
160.08846	6.7
160.12305	0.5
161.05969	2.5
161.09602	6.0
161.13255	1.8
162.06763	1.1
167.08577	1.8
170.07280	3.4
171.08043	2.4
173.05995	1.5
173.09618	1.3
174.06767	4.6
175.07555	7.3
175.11183	13.7
175.14807	1.1
176.11536	0.8
185.06073	0.7
185.09616	22.5
185.13177	1.0
186.10014	0.8
187.07552	0.8
188.04721	0.7
188.08325	15.5
189.08656	0.5
203.06987	3.6
203.10666	100.0
203.14359	3.5
203.17955	3.9
204.11028	3.9
204.19591	1.2
207.89705	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.2
55.01872	29.4
55.05511	38.5
57.03426	7.0
59.05000	6.5
65.03962	4.3
67.05511	35.0
69.03426	38.8
69.07073	46.9
69.19627	28.2
71.05000	35.2
72.08162	10.5
79.05495	52.0
81.06700	3.4
81.07061	33.4
83.05000	23.4
83.08657	4.5
85.02913	8.0
85.06540	9.1
87.04474	25.7
91.05495	31.2
93.07042	60.6
95.04983	16.7
95.08604	38.0
97.06525	55.9
99.04465	9.7
105.06374	7.7
105.07034	94.5
107.04955	4.3
107.08597	97.9
109.06534	7.1
109.10165	20.2
111.04468	18.1
113.06012	100.0
115.03944	8.2
115.05490	7.1
117.07020	9.4
119.04904	6.2
119.08592	50.3
121.06530	18.5
121.10162	75.3
123.08067	15.7
123.11729	6.0
125.06000	36.2
125.09641	79.0
128.06247	10.0
129.06996	12.7
131.08546	28.6
133.06487	7.4
133.10139	21.1
135.08026	6.9
137.09644	11.1
139.11183	53.3
142.07800	15.9
143.08591	15.5
145.06511	8.2
145.10088	18.4
146.07281	4.1
147.04428	8.4
147.08069	14.7
147.11714	26.6
149.09610	30.0
157.07648	5.9
157.10106	22.3
158.07222	5.3
159.08116	7.3
159.11691	5.9
160.05222	9.0
160.08888	4.6
161.06018	9.5
161.09598	21.9
161.13290	11.5
167.10706	52.9
171.08084	5.3
174.06952	4.7
175.07556	10.6
175.11168	19.9
175.14861	5.7
185.09795	6.0
185.11728	18.9
185.13196	8.4
188.08324	6.7
203.03436	15.1
203.06833	21.8
203.10637	36.7
203.12384	4.5
203.12691	4.6
203.14313	24.6
203.18069	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
50.46510	0.7
55.05522	5.2
57.07072	1.3
57.52158	0.6
63.73727	0.6
65.03944	0.7
67.05503	9.2
69.07073	5.6
69.10831	4.5
69.11232	1.4
71.08630	1.1
76.16497	0.6
79.05502	4.1
81.07054	14.0
83.08617	2.3
91.05477	11.3
91.30205	0.6
93.07046	8.9
95.08607	35.2
96.08944	0.8
103.05472	0.7
105.07030	48.8
106.07349	1.0
107.08592	12.7
109.10155	19.2
115.05500	1.0
117.07024	1.7
119.08579	33.2
120.08940	0.7
121.10146	9.9
123.11727	3.6
128.06207	1.8
129.06964	0.7
131.08565	4.7
131.77992	0.6
133.10127	34.9
134.10480	1.4
135.11726	1.6
143.08548	1.3
145.10129	5.8
146.10823	0.8
147.11684	91.8
148.12041	2.8
159.11674	2.4
160.12483	3.4
161.05971	4.2
161.09604	0.8
161.13243	12.6
171.08093	1.4
173.13194	0.7
175.07532	2.2
175.14851	3.8
185.13239	0.7
203.06990	2.3
203.10603	1.9
203.17953	100.0
204.18283	3.7
204.83481	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05511	8.0
57.07081	1.0
62.89009	0.8
65.03931	1.3
67.05180	1.6
67.05508	19.1
69.07068	9.0
79.05504	8.8
80.33665	1.0
81.07060	44.1
83.08607	3.1
85.96599	0.9
91.05488	12.6
93.07048	20.2
95.08612	63.3
96.08945	1.6
98.22621	2.3
103.47549	0.8
105.07037	43.6
107.08600	37.7
108.08936	0.9
109.10162	45.6
110.10499	0.8
115.68238	0.8
117.07037	1.7
119.08582	39.8
120.08846	1.2
121.10151	17.4
123.11720	7.0
128.06171	1.0
129.07024	0.9
131.08572	2.5
133.10143	28.3
135.11671	3.6
143.08516	1.0
145.10126	4.1
147.11691	56.5
148.12048	1.3
157.10178	1.3
159.11676	3.6
160.12338	0.9
161.09630	1.0
161.13280	17.2
175.14836	11.5
203.10643	1.5
203.14195	3.1
203.17961	100.0
204.18353	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
52.90763	0.7
53.03932	1.0
55.05515	9.6
57.07063	0.9
57.77630	0.7
60.38863	0.7
65.03927	1.6
67.05506	19.6
69.06740	0.7
69.07072	9.2
71.20056	0.7
79.05489	9.0
81.07059	47.3
82.07384	1.1
83.08614	2.6
91.05479	14.3
93.07050	21.2
94.49503	0.9
95.04963	1.4
95.08608	70.2
96.08919	1.6
105.07032	50.9
107.08595	41.0
109.06531	1.8
109.10158	40.4
117.07011	3.1
119.08584	41.8
119.44664	0.7
119.59097	0.8
120.08909	2.0
121.10148	16.5
123.11732	9.7
131.08565	3.0
133.10133	34.4
134.10457	1.1
135.11694	5.6
143.08591	1.5
145.10127	6.8
146.10851	0.9
147.11688	60.6
148.12088	1.5
157.10162	1.9
159.11708	5.0
160.12439	1.2
161.09680	2.0
161.13275	19.0
162.13652	1.0
175.14832	8.6
185.13242	1.6
203.08684	0.8
203.10689	2.0
203.14265	5.2
203.17957	100.0
204.18272	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	(+)-alpha-Curcumene
Peak:m/z	Relative Intensity
50.46221	0.5
50.98172	0.7
53.03953	0.7
53.47337	0.4
53.63551	0.5
55.05510	4.1
57.07078	1.6
58.26535	0.4
59.92577	0.5
67.05505	6.3
69.07066	4.8
69.40132	3.0
71.08629	1.0
79.05489	3.0
81.07060	12.0
83.08609	2.0
87.66701	0.5
87.93746	0.6
91.05479	8.8
93.07041	7.5
95.08607	30.9
97.10181	0.8
103.05446	0.5
105.07030	45.0
106.07343	0.9
107.08595	10.9
109.10155	14.6
117.06989	0.7
119.08579	28.1
121.10135	5.6
123.11707	2.5
131.08562	5.1
132.09447	0.5
133.10127	32.2
134.10446	1.1
135.11703	1.5
145.10121	4.6
146.10945	1.1
147.11687	85.6
148.12062	2.3
159.11676	2.4
159.68393	0.5
160.12436	3.2
161.13249	10.5
172.65869	0.5
175.14822	2.7
178.26207	0.7
203.17952	100.0
204.18275	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Curcumene
Peak:m/z	Relative Intensity
50.67188	0.3
53.03945	0.8
55.05508	6.9
57.07075	2.0
65.03931	0.6
67.05506	10.2
69.03409	0.4
69.07066	8.0
69.08405	0.9
69.08810	2.8
71.08622	1.2
79.05482	4.7
81.07054	16.7
83.08612	2.9
90.94813	0.4
91.05478	13.6
93.07041	9.6
93.50275	0.4
95.04952	0.8
95.08607	37.8
96.08938	0.9
97.10163	0.8
100.02507	0.6
103.05479	0.6
105.07027	55.6
106.07346	1.5
107.07850	0.8
107.08588	17.4
109.10153	22.0
109.27045	0.4
109.27929	0.4
115.05413	0.8
117.07040	1.9
118.07848	0.4
119.08578	43.0
120.08933	1.3
120.96554	0.5
121.10141	9.5
123.11687	4.3
128.06210	0.4
129.07008	0.7
131.08565	6.0
132.09361	0.5
133.10127	40.5
134.10463	1.1
135.11668	3.2
142.07785	0.5
143.08551	1.6
145.10106	6.8
146.10873	1.2
147.04393	0.4
147.11682	88.6
148.11986	3.5
157.10123	0.8
159.11687	3.2
160.12469	3.9
161.09656	1.0
161.13255	14.5
162.13571	0.4
171.07970	0.4
175.11255	0.7
175.14813	4.9
180.65706	0.4
185.13243	0.8
188.08325	1.2
197.56157	0.4
202.07581	0.4
203.05353	0.5
203.07024	1.3
203.08673	0.9
203.10614	2.5
203.14322	2.2
203.17946	100.0
204.14088	0.4
204.18272	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.10533	0.5
51.66663	0.5
55.05514	7.0
56.32710	0.6
57.07084	1.2
65.03925	0.9
67.05505	15.6
68.09180	0.6
69.07068	8.8
71.18691	0.7
79.05488	9.0
81.07058	26.7
83.08598	3.2
91.05478	14.7
93.07041	15.5
95.04943	0.7
95.08607	48.5
96.08935	1.1
97.10139	1.0
103.25147	0.7
105.07027	52.7
106.07348	1.5
107.08591	25.8
109.10153	31.7
110.10497	0.8
117.07016	1.7
119.08581	41.1
121.10143	12.8
123.11694	8.5
124.11958	0.8
129.51256	0.5
131.08568	4.4
133.10130	33.9
134.10536	0.7
135.11649	3.2
145.10130	6.7
146.10893	0.8
147.11682	76.3
148.12050	2.5
159.11697	2.4
160.12460	3.0
161.13261	17.1
175.14798	5.7
203.17950	100.0
204.18306	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05515	9.1
57.03426	1.3
57.07067	3.0
59.05013	1.2
65.03925	1.3
67.05506	14.5
69.03423	1.2
69.07071	10.4
70.79121	1.0
70.79446	1.3
71.04996	1.4
71.08617	1.2
72.08150	1.9
75.05595	0.8
79.05501	10.0
81.07059	19.2
83.04985	2.4
83.08620	3.7
85.02907	1.4
91.05480	17.7
93.07048	14.0
95.04973	2.3
95.08612	37.3
97.02916	1.5
97.06537	1.5
97.10143	1.0
98.33537	0.8
103.05453	1.1
105.07034	63.2
106.07348	1.5
107.04963	1.3
107.08598	21.5
107.23278	1.0
108.08916	0.9
109.06518	1.2
109.10159	22.8
111.04451	2.1
111.08056	1.1
112.11231	1.0
115.05459	3.2
117.07018	5.8
119.04955	0.9
119.08585	49.5
120.04487	1.7
120.08903	1.3
121.06506	1.5
121.10149	12.5
123.08067	1.1
123.11713	6.4
125.05965	1.6
125.09618	1.1
127.10476	0.8
128.06242	1.8
129.07010	2.5
130.06525	2.4
130.07887	1.1
131.04970	0.8
131.08589	10.7
133.10136	37.4
133.78169	0.8
134.10452	1.5
135.11707	3.0
139.11238	1.7
142.07791	2.5
143.06995	1.1
143.08571	4.7
144.09363	1.1
145.10129	13.1
147.04417	3.8
147.08046	2.8
147.11691	100.0
148.11974	4.2
149.09671	1.3
153.09111	1.8
156.09431	0.8
157.06441	0.8
157.10135	4.2
159.08124	0.9
159.11656	4.8
160.05182	2.3
160.12531	4.5
161.02991	0.8
161.06000	5.7
161.09641	3.4
161.13275	16.7
162.13445	1.0
167.10661	2.4
175.03874	1.2
175.07547	3.4
175.11148	2.4
175.14841	4.8
176.80238	0.9
185.06023	0.9
185.09662	1.0
185.11775	1.5
185.13307	3.5
203.03333	2.1
203.06892	5.7
203.10646	5.9
203.14415	8.0
203.17964	80.5
204.07678	4.8
204.18295	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03943	1.2
55.05510	10.0
55.44363	0.6
57.07080	2.9
63.83193	0.7
65.03908	0.7
67.05502	21.4
68.05828	0.9
69.03435	0.9
69.07066	13.1
70.63892	1.8
71.08630	0.8
78.83184	0.8
79.05488	9.3
81.07055	32.8
82.07373	0.6
83.04985	1.0
83.08607	4.1
84.44576	0.7
91.05478	18.7
92.05795	0.7
93.07040	16.2
93.07623	1.1
95.04953	1.3
95.08604	58.6
96.08939	1.9
97.10150	1.7
105.07027	70.7
106.07335	1.5
107.08591	25.3
109.06551	0.8
109.10150	43.0
115.05439	1.0
117.06985	4.0
118.07804	0.9
119.08575	62.2
120.08902	1.9
121.09292	1.5
121.10135	21.8
122.81303	0.6
123.11700	19.1
124.12046	1.0
128.06215	2.3
129.06996	2.3
131.08565	6.6
132.05829	0.7
133.10121	39.9
134.10448	1.4
135.11650	4.6
142.07755	1.2
143.07397	0.9
143.08519	3.7
145.10146	10.1
146.10902	0.9
147.04385	0.8
147.11679	90.3
148.12054	2.6
157.10161	2.0
158.09601	1.6
159.11713	5.4
160.12434	4.7
161.05995	1.2
161.09602	1.9
161.13258	20.8
162.13577	1.0
171.08128	1.0
173.13306	1.3
174.14069	1.4
175.07559	1.5
175.11212	1.6
175.14825	6.1
179.33580	0.8
185.13226	2.9
186.09108	1.0
188.08316	1.1
188.15654	1.4
203.07028	3.0
203.10677	4.4
203.14488	8.0
203.17946	100.0
204.18347	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
51.02383	0.9
52.67060	0.8
53.03950	0.8
55.01847	0.8
55.05508	7.8
57.07064	1.8
65.03925	1.2
66.92739	0.6
67.05180	1.0
67.05506	15.7
69.07063	9.6
69.09176	2.2
69.09586	4.3
70.47346	0.6
71.08627	1.0
79.05141	0.8
79.05501	9.1
81.07057	28.4
83.08608	2.8
91.05486	14.8
93.07043	15.4
95.04987	1.2
95.08607	69.9
96.08946	1.2
97.10169	1.6
102.04704	0.8
103.05466	1.1
105.07033	53.2
106.07373	1.1
107.07861	1.1
107.08597	23.7
109.06504	1.1
109.10156	29.1
110.10503	0.8
115.05445	3.5
117.06287	0.7
117.07014	3.3
118.74198	0.7
118.95702	0.7
119.08582	44.0
120.08917	0.9
121.06539	0.9
121.10143	18.2
123.11717	9.1
128.06224	16.2
129.06995	2.2
130.04106	1.0
131.04924	0.9
131.08574	5.6
132.05556	0.7
133.10133	33.5
134.10497	0.9
135.11676	3.1
137.05962	1.1
138.02200	0.7
141.06961	1.3
142.07732	1.1
143.04910	2.4
143.08553	16.3
144.08904	0.9
145.06494	2.2
145.10132	10.4
146.10541	1.2
147.04395	2.7
147.08038	1.5
147.11687	71.4
148.12030	1.5
153.06990	0.8
155.06062	1.4
157.10156	2.0
159.04424	1.8
159.11722	3.5
160.05170	4.1
160.08839	1.3
160.12437	4.2
161.05945	3.0
161.09587	2.1
161.13281	17.2
162.06735	5.7
171.08055	20.9
172.08572	1.4
173.05956	1.4
173.13261	1.4
174.06770	7.8
174.14061	1.6
175.07561	14.9
175.11142	1.4
175.14816	6.1
176.07849	0.8
185.13261	1.3
188.08348	7.7
188.15573	1.6
203.07040	2.6
203.10667	33.4
203.14296	5.2
203.17955	100.0
204.11028	1.7
204.18233	4.9
209.07358	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	(+)-alpha-Curcumene
Peak:m/z	Relative Intensity
51.71336	0.5
52.82951	0.6
53.03954	1.0
55.05509	5.3
57.07072	0.8
63.01056	0.6
65.03953	0.7
67.05505	10.0
69.03411	0.7
69.07071	5.7
69.18600	1.7
69.18999	3.1
69.19454	0.6
71.08629	1.0
79.05492	5.0
79.80924	0.6
81.07059	15.8
83.08603	2.2
88.49587	0.6
91.05483	11.8
92.62794	0.6
93.07042	9.3
95.04949	0.6
95.08607	38.9
96.08920	1.5
98.23322	1.3
105.07029	46.6
106.07350	0.9
107.08597	16.5
109.06530	0.6
109.10154	20.1
115.05503	0.9
117.07024	3.0
117.13065	0.6
118.86266	0.6
119.08580	36.2
120.08930	1.1
121.10142	9.6
123.11710	3.5
128.06219	0.8
129.07011	1.1
131.08600	5.1
133.10130	33.0
134.10454	1.3
135.11694	2.4
142.07758	0.7
143.08551	2.5
145.10123	5.3
147.11684	78.4
148.11975	3.5
157.10143	1.3
159.11691	2.9
160.12445	2.9
161.09628	1.6
161.13268	15.0
175.07582	1.8
175.11224	1.6
175.14832	5.8
185.13277	2.0
203.07120	1.2
203.10645	3.5
203.14288	5.4
203.17958	100.0
204.18280	4.7
210.72908	0.6
217.11336	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03934	1.2
55.05512	9.0
56.06219	0.6
57.07064	2.6
65.03958	0.9
67.05505	20.6
69.07073	15.2
69.17207	4.6
71.08611	0.8
79.05487	6.7
81.07058	31.6
82.07366	0.9
83.08614	3.3
89.46956	0.7
91.04900	0.6
91.05477	16.4
93.07046	19.2
95.04958	1.1
95.08606	35.9
96.08905	0.9
97.10175	1.2
98.66815	0.6
100.02493	1.3
103.05460	1.2
105.07030	67.0
106.07329	1.7
107.08592	23.0
108.08955	0.6
108.14137	0.7
109.06516	0.6
109.10157	57.6
110.10458	1.5
115.05439	1.2
117.07021	5.6
119.04907	1.0
119.08579	71.7
120.08920	2.2
120.96507	0.6
121.06441	1.2
121.10143	15.4
123.11707	58.5
124.12029	2.1
128.06210	1.9
129.07037	0.8
129.26712	0.6
131.08548	4.6
133.10130	35.4
134.10489	1.1
135.11696	3.5
143.08511	2.7
145.06496	2.7
145.10103	4.9
146.07269	5.2
146.10954	0.7
147.08005	1.4
147.11685	61.5
148.12064	2.4
159.08041	1.1
159.11722	1.8
160.08824	1.4
160.12473	2.6
161.09642	6.0
161.13257	16.3
162.06770	2.3
170.10883	0.8
171.08000	1.3
173.05902	0.9
173.13219	0.9
174.14117	1.1
175.07553	7.4
175.11214	2.5
175.14828	3.5
188.08350	2.4
188.15588	0.8
203.08499	1.9
203.10619	11.9
203.14148	2.1
203.17955	100.0
204.18300	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03936	1.3
55.05512	9.8
55.26015	0.7
55.39942	0.7
57.07070	2.8
64.84694	0.7
67.05135	0.8
67.05501	16.8
69.01451	7.0
69.07066	14.0
79.05486	7.5
81.07056	22.5
83.08605	4.7
91.05479	17.1
93.07040	13.5
95.08606	44.4
97.10168	1.7
103.05423	1.1
104.40401	0.8
105.07030	68.6
106.07346	1.8
107.08594	19.4
109.06516	1.1
109.10157	37.2
110.10467	1.6
115.05434	2.0
117.07017	4.0
119.08580	64.9
120.08929	1.5
121.10142	14.5
123.11711	9.8
125.50477	0.8
128.06241	1.2
129.07014	1.2
131.08562	11.3
133.10127	47.0
134.10463	1.2
135.11691	5.0
143.08571	1.8
145.06462	0.9
145.10118	10.1
146.07169	1.0
147.11682	77.4
147.65154	1.1
148.12029	1.9
157.10156	1.1
159.11711	7.1
160.05278	1.4
160.12480	5.6
161.05986	4.7
161.09601	1.6
161.13261	20.6
173.13162	1.0
174.14027	2.7
175.07600	5.0
175.11203	2.3
175.14784	5.3
185.13147	0.9
188.15572	1.1
203.06979	5.2
203.10651	6.9
203.14285	3.2
203.17946	100.0
204.18312	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.82544	0.6
52.76274	0.6
53.03948	1.6
55.05511	11.1
57.07054	1.6
60.14456	0.7
65.03943	1.5
67.05505	22.3
69.07070	15.3
69.15137	5.3
79.05487	8.1
81.07058	33.3
83.08622	4.4
91.05478	17.2
93.07044	19.6
95.04932	1.1
95.08608	67.4
96.08929	1.8
97.10181	1.7
98.23366	1.4
103.05470	0.9
104.06284	1.0
105.07030	56.1
106.07367	2.1
107.08596	18.6
109.10155	41.7
110.10538	0.8
115.05441	2.0
116.04947	0.8
117.07006	3.7
119.08580	63.4
120.08913	1.4
120.37362	0.7
121.09295	1.4
121.10143	24.9
122.10516	0.7
123.11713	22.3
124.11991	1.0
128.06206	2.0
129.07021	1.5
131.08572	5.2
132.05685	0.6
133.10130	33.2
134.10553	1.1
135.11726	3.1
142.07764	0.9
143.04903	1.4
143.08575	3.4
144.04433	1.6
145.06357	0.8
145.10124	9.5
147.08034	2.9
147.11687	76.8
148.12070	3.0
157.10110	1.6
159.11705	3.3
160.05185	2.8
160.08925	0.9
160.12477	5.4
161.05957	3.6
161.09624	3.1
161.13277	19.6
162.06717	1.2
171.04437	1.5
171.08006	1.5
172.03952	3.2
173.13237	1.7
174.14024	0.7
175.07550	4.6
175.11145	1.9
175.14815	4.1
185.05923	1.8
185.09531	1.1
185.13239	1.4
188.04643	1.1
188.08359	0.8
188.15584	1.5
203.07060	6.8
203.10678	6.6
203.14282	4.5
203.17953	100.0
204.06544	1.5
204.18300	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03940	1.5
55.05515	9.3
57.07069	1.7
65.03947	2.1
67.05503	20.7
68.11948	0.8
69.01048	8.4
69.07071	12.4
79.05496	9.3
81.07058	30.8
83.08610	3.8
91.04961	1.6
91.05485	16.0
93.07043	20.8
95.05008	1.1
95.08607	61.2
96.08944	2.1
97.10170	1.5
97.26849	1.0
105.07030	61.6
106.07328	1.4
107.08598	28.3
109.10156	40.9
115.05448	1.2
117.06996	2.8
119.08582	56.5
120.08892	1.9
121.10140	18.7
123.11719	12.5
128.06190	1.8
129.06998	1.0
131.08562	6.9
133.10127	38.1
135.11673	4.3
143.08566	1.7
145.10129	7.2
147.11690	74.1
148.12021	1.8
157.10141	1.1
159.11684	3.9
160.12482	4.6
161.13274	21.3
173.13313	1.4
174.13974	1.4
175.07539	1.2
175.14824	7.3
188.08310	1.0
203.10643	3.9
203.17955	100.0
204.18285	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05515	12.4
57.07064	6.1
62.06079	2.0
63.04667	1.4
67.05506	19.8
69.02267	3.0
69.02670	10.0
69.07064	16.1
71.08633	1.6
79.05502	12.3
81.07059	55.4
83.08614	5.9
89.54024	1.3
91.05480	17.7
93.07050	24.3
94.05152	1.3
95.08607	60.8
96.08942	2.0
97.10164	2.2
98.23364	2.6
105.07031	87.8
106.07368	2.4
107.08603	30.0
109.06490	1.9
109.10159	36.9
109.50507	1.3
117.07003	5.2
119.08579	60.8
121.10130	21.4
123.11692	9.8
129.06953	1.6
130.13141	1.5
131.08556	5.7
133.10135	68.2
135.11685	6.2
145.10114	15.8
147.11688	84.3
159.11717	4.7
160.12473	11.9
161.13248	23.1
171.31212	1.4
174.13986	1.7
175.14842	7.4
185.20966	3.6
203.10690	2.6
203.17958	100.0
203.21954	21.5
204.18304	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Curcumene
Peak:m/z	Relative Intensity
55.05510	9.7
57.07077	2.4
58.53163	0.8
67.05506	13.3
69.07066	12.4
69.73166	3.5
71.08615	0.8
77.57586	0.8
79.05481	6.8
81.07051	15.7
83.08608	3.4
83.17845	0.8
89.52091	0.8
91.05479	14.9
93.07038	13.8
95.08606	40.5
97.10185	1.6
105.07032	66.1
106.07379	1.2
107.08599	20.8
109.10156	24.4
117.06998	3.2
119.08581	55.5
120.08888	1.1
121.10132	13.0
121.40782	0.9
123.11695	6.5
131.08578	8.1
132.09302	0.9
133.10124	40.9
134.10503	1.0
135.11699	2.4
145.10120	6.4
147.11685	100.0
148.12009	2.9
159.11687	2.7
160.12492	5.0
161.13254	22.5
174.14012	1.3
175.14804	4.3
203.17953	94.5
204.18283	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03930	1.2
55.05511	11.8
56.40457	1.2
57.07070	3.9
59.97502	1.0
65.03960	1.2
67.05508	27.7
69.07073	16.4
70.34258	3.4
70.34615	1.3
71.91991	1.2
79.05482	10.0
81.06581	2.0
81.07059	38.7
83.08617	4.2
91.05478	16.2
93.07040	21.6
95.08611	37.0
97.10176	2.4
98.23229	1.8
105.07034	66.6
106.07382	1.4
106.22814	1.1
107.08601	25.6
109.10160	68.4
110.10446	2.0
117.06982	3.3
119.08587	83.4
120.08888	2.0
121.10158	15.5
123.11713	78.8
124.12025	1.9
130.73564	1.1
131.08568	4.1
133.09204	2.2
133.10132	27.1
133.10963	0.9
134.10461	1.3
135.11693	4.6
139.57758	1.1
145.10114	6.3
147.11691	58.5
148.12062	1.9
159.11697	3.0
160.12454	1.7
161.13268	14.5
175.14801	2.0
203.03476	1.1
203.17955	100.0
204.18265	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.92932	0.9
55.05506	9.9
57.07063	3.5
65.75616	0.9
67.05506	22.5
69.07069	18.1
69.15666	5.7
69.16077	3.0
79.05496	6.0
81.07059	36.5
83.08617	4.8
91.05478	12.5
93.07044	24.2
95.08608	34.2
96.08923	1.3
97.10162	2.4
105.07032	63.1
107.08595	23.1
109.10157	60.6
110.10468	1.1
116.91069	0.9
117.07003	3.4
119.08582	78.9
120.08915	2.5
121.10146	14.8
123.11708	64.5
124.12016	3.1
131.08565	3.7
133.10130	34.0
135.11700	5.2
143.08549	1.8
145.10097	7.7
147.11684	60.5
148.12053	1.5
157.10158	1.4
159.11693	2.6
160.12450	2.6
161.13258	15.6
173.13336	1.3
175.14856	3.2
203.08510	5.0
203.10568	2.2
203.17953	100.0
204.18277	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.95569	0.6
54.25992	0.6
55.01885	0.7
55.05511	9.1
55.87364	0.6
57.07071	2.0
65.03924	1.0
67.05506	24.3
69.06725	1.0
69.07072	13.8
69.25774	1.8
69.26196	3.6
71.78468	0.7
79.05136	0.7
79.05503	7.9
81.07058	46.1
82.07376	1.0
83.08617	3.5
88.73022	0.7
91.05479	14.8
93.07043	18.5
94.07361	1.0
95.08607	73.8
96.08942	1.5
97.10153	1.3
98.23410	1.4
105.07032	55.8
106.07347	1.0
107.08595	27.3
109.10157	51.7
110.10517	1.5
117.06999	2.4
119.08580	48.7
120.08888	2.0
121.10142	17.6
123.11715	9.4
129.07025	1.1
131.08583	4.0
132.09377	1.0
133.06500	0.8
133.10133	35.9
134.10498	1.3
135.11703	5.1
142.07770	1.2
143.08551	3.2
145.06522	1.2
145.10127	7.4
147.07980	1.9
147.11687	75.3
148.12064	2.5
155.18083	0.6
157.10121	1.9
159.11697	3.7
159.55368	0.6
160.08759	0.7
160.12471	2.7
161.09639	5.9
161.13255	20.5
162.13632	0.7
173.13263	1.1
174.14008	0.9
175.07559	1.0
175.11124	1.5
175.14813	6.8
183.08492	0.6
185.13315	0.9
189.12799	1.4
194.91896	0.7
202.07800	1.4
203.06805	1.0
203.08479	3.8
203.10675	3.6
203.14268	5.2
203.17953	100.0
204.15033	0.7
204.18314	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03939	0.8
55.05511	8.3
57.07064	2.7
65.03913	1.0
67.05180	1.5
67.05506	18.3
67.16057	0.8
69.03379	1.6
69.03786	7.5
69.07071	11.6
79.05481	8.7
81.07054	30.9
83.08639	3.9
91.05474	17.4
93.07043	14.6
95.08605	51.7
97.10171	1.1
103.05467	1.2
105.07029	70.9
106.07341	2.3
107.08589	27.6
109.10152	32.8
110.10455	1.3
111.49289	0.9
117.07037	2.8
119.08577	49.6
120.08929	1.2
121.10146	15.0
122.10461	0.8
123.11687	8.5
131.08554	5.5
133.10127	40.9
134.10439	1.0
135.11693	4.4
137.12201	0.9
143.08557	2.1
145.10094	7.6
147.11685	85.3
148.12019	3.5
159.11696	3.1
160.12459	3.8
161.09596	1.9
161.13261	21.0
166.16176	0.9
173.13312	1.0
175.14844	6.8
185.09509	0.8
185.13280	1.2
188.08322	0.8
199.61362	0.9
203.10620	2.0
203.14253	3.2
203.17949	100.0
204.18274	5.1
223.63008	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
50.66540	0.9
53.03952	1.0
55.05511	9.4
57.07061	3.0
65.03931	0.8
67.05505	19.4
69.07071	17.6
69.91170	3.1
79.05491	9.1
81.07059	35.6
83.08620	4.8
91.05482	18.1
93.06466	1.3
93.07046	15.7
95.08610	49.2
97.10143	1.1
98.22781	1.7
102.62032	0.7
103.05474	0.9
105.07030	68.1
106.07335	2.1
107.07845	1.5
107.08595	23.1
109.10155	34.0
109.10911	1.8
117.07041	3.2
119.08582	62.1
120.08897	1.6
121.10146	16.6
123.11700	9.5
128.06218	2.3
129.06946	0.7
131.08577	9.0
132.09335	1.1
133.10130	46.0
134.10400	1.3
135.11696	3.9
143.08533	4.7
145.10144	10.1
147.11691	80.9
148.12132	2.5
157.10133	1.3
159.11723	4.7
160.12488	5.3
161.13269	23.1
162.13651	1.7
173.13280	1.4
174.14058	0.9
175.14864	5.0
184.62910	0.8
188.08342	1.6
188.15660	1.2
201.16373	0.9
203.08867	0.9
203.10632	4.0
203.17958	100.0
204.18329	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
54.54679	0.8
55.05519	7.7
57.07064	3.1
58.31395	0.7
63.23029	0.7
63.70432	0.7
65.03945	0.7
67.05508	12.2
69.07072	14.4
79.05492	5.6
81.07063	19.3
83.08604	3.7
91.05486	14.2
93.07040	9.0
95.08609	34.8
96.08950	1.0
97.10161	1.6
98.22591	1.5
105.07034	54.0
107.08600	14.4
109.10159	35.0
110.10529	0.8
117.07007	3.1
118.07851	0.7
119.08585	46.9
120.08881	1.5
121.10148	14.3
123.11701	10.0
131.08571	7.4
132.09441	0.8
132.31248	0.8
133.10136	34.9
135.11670	3.6
145.10129	8.4
147.11688	56.0
148.12077	1.2
159.11723	3.6
160.12469	4.6
161.13257	20.6
173.13275	1.8
175.14896	3.8
203.17960	100.0
204.18283	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03940	1.7
55.05509	11.4
57.07065	2.9
65.03938	1.2
67.05503	19.6
67.05844	2.0
69.07066	15.1
69.41717	4.3
69.42126	1.8
73.77872	0.9
79.05496	10.2
81.07058	38.4
83.08622	3.3
91.05480	18.4
93.07050	19.6
95.08608	55.9
97.10185	1.6
98.23321	1.8
99.69183	0.9
101.95424	0.9
105.07034	69.4
106.07375	2.2
107.08593	32.4
109.10160	40.6
117.07012	2.9
117.93659	1.1
119.08583	55.4
120.08907	2.1
121.10144	19.0
123.11713	8.7
123.58657	1.0
131.08530	6.2
131.09380	0.9
133.10135	44.1
135.11696	5.8
143.08553	1.1
145.10106	10.2
146.10921	1.0
147.11687	89.1
148.12096	3.6
157.10167	1.3
159.11670	4.3
160.12462	4.6
161.13277	21.5
175.14828	5.6
190.95781	0.9
203.10698	2.8
203.17958	100.0
204.18311	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03951	0.8
55.05269	0.9
55.05513	9.8
57.07067	2.6
67.05510	20.2
67.05876	1.0
69.06720	1.3
69.07068	15.1
70.49889	1.6
79.05494	7.9
81.07060	25.8
83.08624	4.6
91.04950	0.6
91.05479	14.7
93.07055	14.2
93.07639	1.6
95.04984	0.9
95.08610	49.9
97.10174	1.1
103.05449	0.9
105.07034	76.7
106.07336	1.6
107.08598	19.0
109.10160	37.8
110.10471	0.8
117.07024	2.7
119.08582	60.3
120.08910	1.9
121.10139	18.8
123.11723	9.9
131.08560	7.9
133.10135	44.9
134.10457	1.4
135.11693	4.3
143.08594	1.1
145.10143	9.2
146.10843	0.8
147.11691	74.7
148.12019	2.1
159.11752	4.0
160.12509	4.5
161.13272	24.8
173.13239	1.5
174.14136	0.8
175.14848	5.2
185.19846	0.7
188.15604	0.8
198.28600	0.7
203.17961	100.0
204.18289	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03934	0.7
55.05510	4.8
56.88586	0.5
57.07058	1.2
67.05138	0.6
67.05498	10.2
69.07063	5.6
70.17826	1.0
70.18224	0.9
79.05488	3.7
80.58400	0.4
81.07053	15.9
83.08615	2.0
85.84641	0.5
91.05474	6.7
93.07039	6.8
95.08604	51.1
96.08911	0.8
96.60639	0.5
105.07026	45.2
105.62626	0.5
106.07372	0.8
107.08598	6.5
109.10141	10.3
110.10545	0.6
117.06986	1.8
119.08576	26.6
120.08945	0.7
121.10141	15.6
123.08160	0.5
123.11703	2.8
124.61441	0.5
131.08586	3.2
132.09357	1.0
133.10121	27.4
134.10454	0.7
135.11676	2.2
145.10117	5.1
147.11678	48.1
148.12181	1.5
159.11697	3.6
160.12463	2.6
161.13249	23.9
162.13551	1.2
173.13278	0.7
174.13963	1.0
175.14803	3.3
188.15596	0.9
190.39156	0.6
203.17943	100.0
204.18289	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03946	1.6
55.05264	1.1
55.05511	9.6
57.07069	3.5
65.03930	1.1
67.05503	17.7
69.07072	14.5
69.27179	6.4
79.05489	8.1
81.07057	23.7
83.08634	5.0
86.06134	1.0
91.05482	17.2
93.07041	15.1
95.04954	0.9
95.08604	49.4
96.08945	1.0
97.10141	2.0
100.02502	1.5
103.05422	1.1
105.07029	71.6
106.07332	1.4
107.08598	20.7
109.10157	44.9
110.95998	0.9
117.07027	5.0
119.08580	62.3
120.08932	1.8
121.10139	21.4
123.11707	10.5
128.06250	1.4
129.07071	1.5
130.07820	1.6
131.04993	1.4
131.08568	9.7
133.10129	43.4
135.11649	5.5
136.21313	1.0
143.08557	4.5
145.06508	4.6
145.10120	16.3
147.11682	72.8
148.12025	2.2
157.10152	3.3
158.07254	1.7
159.07957	1.3
159.11697	5.2
160.05162	0.9
160.12509	5.5
161.06024	1.4
161.11926	1.6
161.13261	26.6
173.09589	7.6
173.13232	2.5
174.06787	1.7
174.14015	1.0
175.07491	1.2
175.14806	6.6
185.09517	1.1
188.08356	2.1
197.99223	1.1
202.07861	1.0
203.08519	2.6
203.10632	13.8
203.14354	2.6
203.17953	100.0
204.18297	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
52.88477	0.6
53.03944	0.9
54.47770	0.5
55.05512	9.8
57.07060	2.6
67.05507	11.6
69.07073	10.0
69.17297	4.3
71.08641	1.4
79.05495	5.8
81.07059	15.5
83.08609	3.0
91.05476	11.1
93.06490	0.7
93.07048	10.8
95.08607	32.1
96.08928	1.1
97.10151	1.6
98.22595	1.0
103.05476	0.9
105.07031	62.0
106.07320	1.2
107.08598	17.4
109.10159	15.4
117.07024	1.6
119.08581	44.8
120.08881	1.6
121.09296	1.3
121.10146	21.7
123.11687	2.4
131.08545	4.6
132.09392	0.8
133.10130	37.2
134.10458	1.1
135.11679	6.9
145.10117	8.6
147.11687	67.9
148.12059	1.8
149.47282	0.6
159.11696	4.9
160.12514	4.9
161.13258	29.0
162.13855	0.8
173.13263	1.6
174.14122	3.5
175.14815	5.6
183.99019	0.6
188.15569	1.2
189.15822	0.7
203.17953	100.0
204.18307	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
50.70499	0.7
51.66198	0.8
53.03932	1.9
55.05510	9.6
57.07087	1.4
65.03931	1.3
67.05506	16.9
67.88834	0.8
69.07070	11.9
70.48424	0.8
79.05495	8.0
80.51411	0.8
81.07059	32.4
83.08627	3.5
85.21462	0.9
91.05483	16.0
93.07043	13.6
94.07713	0.9
95.08614	47.1
96.08971	0.9
97.10179	1.0
103.05396	1.0
105.07034	57.3
107.08601	23.4
109.10161	36.5
112.25401	0.9
117.07006	2.6
119.08586	45.7
121.10147	14.9
123.11700	10.6
131.08557	6.3
132.35403	0.8
133.10135	34.9
135.11681	3.5
145.10130	8.3
147.11691	78.4
148.12025	2.1
159.11739	3.7
160.12524	4.4
161.13278	19.3
173.13284	1.5
174.13945	1.3
175.14818	5.6
180.20958	0.9
203.17966	100.0
204.18381	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.5
57.03440	2.5
57.75869	0.2
58.03794	0.3
58.06609	0.5
59.07401	0.3
60.08169	11.3
61.02933	0.5
61.58958	0.2
67.34110	0.2
68.17704	0.3
69.03445	1.1
70.06593	0.3
71.04993	1.2
71.06129	0.8
71.29812	0.4
72.08165	0.3
73.02912	2.0
81.03423	0.9
84.04516	0.5
84.08143	0.6
85.02911	100.0
86.03243	1.2
86.03716	0.5
97.02894	2.4
99.04446	0.3
101.00885	1.8
102.00958	2.1
103.00626	1.0
103.01267	0.3
109.02919	0.3
111.02916	0.4
112.33041	0.2
113.00880	0.3
115.02461	0.3
116.74903	0.3
119.01933	3.0
120.02018	3.8
121.01672	2.2
127.03892	0.4
131.01901	0.6
132.01950	0.3
132.03380	0.4
133.03448	0.5
134.08125	0.6
137.51785	0.3
138.03180	0.3
138.05630	0.3
139.02551	0.4
139.04144	0.2
140.07031	0.3
143.01886	1.1
144.02043	2.0
144.06583	0.3
144.10204	2.3
145.01630	0.6
145.03365	0.5
145.04977	7.6
147.04041	0.3
155.01862	0.4
157.03424	0.8
158.08130	1.7
158.12891	1.4
161.02998	1.6
162.03079	6.1
163.02670	2.0
173.02869	0.6
183.04956	0.7
185.02928	0.6
189.27956	0.2
192.05511	0.7
199.02785	0.3
201.05965	0.4
203.03915	0.8
204.05605	0.6
204.08723	1.6
204.12218	15.0
205.05515	0.5
205.12518	0.4
221.04980	1.0
222.05191	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.086
Annotation	Anofinic acid
Peak:m/z	Relative Intensity
50.26474	0.7
52.08285	0.6
52.63257	0.8
55.01873	6.8
56.47324	0.6
57.07068	3.0
61.86575	0.7
65.03949	2.8
67.05505	1.0
68.99796	1.3
69.03423	1.0
71.01357	10.5
75.79388	0.8
79.05493	2.2
81.03402	0.9
81.07063	2.0
83.01316	0.7
91.05481	29.0
93.03419	1.3
93.07045	2.4
95.04977	1.2
95.08611	0.9
98.23386	1.3
99.38787	0.9
103.05463	3.2
104.18691	0.6
105.07035	2.6
107.04986	1.9
107.08608	2.0
109.10148	1.0
115.05457	17.7
116.06254	7.3
116.66153	0.7
117.07026	13.2
118.06567	1.8
119.08572	0.9
121.02865	3.4
121.03979	1.3
121.06471	2.3
121.10125	3.7
127.03933	1.0
128.06230	6.1
129.07016	12.6
131.04927	10.0
131.08566	40.1
132.04443	0.9
132.08945	1.1
133.06517	1.4
135.04411	1.0
141.06990	42.1
142.07433	1.1
144.05711	23.7
145.06470	7.3
145.07631	2.7
145.10100	1.8
146.06006	2.6
147.08025	0.7
149.02339	29.9
149.05984	3.1
149.09677	1.8
150.02600	1.0
157.06480	5.5
158.07278	8.5
159.04434	2.0
159.08054	57.0
160.03946	1.0
160.08385	2.5
161.05975	1.5
163.03943	1.5
163.07599	0.8
168.05661	1.0
169.06413	10.0
169.07738	5.2
169.09868	0.7
171.05576	1.4
173.07089	6.9
177.05450	4.9
177.09094	4.8
177.12874	0.8
178.04947	1.2
187.07542	100.0
188.08095	3.5
205.04886	5.2
205.08504	26.3
205.15842	3.7
206.04790	0.8
206.08765	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.086
Annotation	Anofinic acid
Peak:m/z	Relative Intensity
51.02423	0.5
52.93468	0.6
55.01927	7.7
57.07128	1.6
58.62790	0.6
65.03998	1.4
67.05574	0.8
68.99831	0.9
71.01353	11.3
71.32670	1.0
79.05534	1.4
81.07125	0.6
83.01376	0.7
91.04949	1.0
91.05483	27.7
92.05855	0.7
93.03452	0.7
93.07092	1.7
95.05054	0.6
103.04907	0.6
103.05434	2.9
105.07111	1.6
107.05040	1.7
115.05454	19.6
116.06266	7.2
117.07026	12.3
117.35349	0.7
119.08614	0.7
121.02917	1.6
121.06524	1.5
121.10202	2.4
128.06216	6.0
129.07014	12.6
131.04921	9.4
131.08571	42.6
132.08942	1.1
133.06467	0.7
135.04477	1.0
141.06990	45.7
142.07388	2.0
144.05710	25.1
145.06534	6.6
145.07632	1.0
145.10088	0.7
146.05994	0.7
147.08052	0.9
147.80919	0.7
148.53244	0.7
149.02345	7.5
149.03256	0.6
149.05978	3.5
149.09674	2.5
155.06085	1.2
157.06502	7.2
158.07272	11.1
159.04503	1.6
159.08057	54.8
160.08411	2.1
161.05980	1.1
168.05696	0.6
169.06503	12.0
169.07686	5.1
170.07007	0.7
171.05666	0.6
173.07109	1.5
175.07582	0.8
177.05440	6.6
177.09113	3.1
187.07545	100.0
187.98744	0.6
188.07941	4.3
205.04935	4.0
205.08582	29.3
205.15883	1.1
206.08910	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.2
53.03948	2.2
55.01857	0.2
55.05513	1.2
57.07064	0.4
59.04990	0.3
65.03929	0.4
67.05505	1.6
69.03436	0.4
69.07064	0.7
71.05014	0.2
71.30592	0.2
77.03899	0.8
77.06820	0.2
78.04707	0.2
78.31604	0.1
79.05483	0.9
81.03425	0.2
81.07046	1.3
83.04992	0.3
83.08665	0.2
91.05480	13.1
92.05810	0.3
93.07043	51.3
94.07368	1.1
95.04971	3.4
95.08604	3.6
96.08921	0.2
97.06560	0.3
103.05523	0.2
105.04536	1.1
105.07024	2.7
106.07374	0.3
107.08591	2.2
108.08913	0.2
109.06506	0.7
109.10107	0.8
111.04436	0.2
111.08102	0.3
115.05499	0.2
116.06236	0.2
117.07017	0.9
119.08585	2.1
121.06505	100.0
121.10075	1.8
122.06835	2.6
123.08071	0.6
123.11709	0.3
128.06248	0.2
129.07019	1.3
130.07771	0.5
131.07660	0.3
131.08569	2.1
133.10141	1.0
135.04459	0.3
135.08063	1.4
135.11690	1.1
137.09641	0.1
143.08592	0.4
144.09360	2.4
145.06491	0.4
145.10121	2.6
147.08081	0.2
147.11700	1.1
149.02350	1.6
149.05974	0.3
149.09660	0.7
149.13281	0.5
157.10193	0.4
159.08063	0.9
159.11687	6.4
160.12015	0.3
161.05966	0.3
161.09624	0.5
161.13258	0.5
163.07539	0.3
163.11176	1.7
163.14908	0.2
172.08812	0.5
175.07605	0.3
175.11174	0.2
177.09109	0.5
177.12773	0.9
177.16360	0.5
187.11183	3.2
187.14818	1.1
190.09901	0.5
205.08740	0.6
205.12241	19.7
205.15825	2.7
206.12621	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
53.03939	0.5
54.04902	0.5
55.05506	0.5
63.79376	0.4
67.05505	1.1
71.11128	0.6
79.05493	1.5
81.07046	3.0
91.05473	4.5
93.07039	1.5
95.08606	1.3
103.05455	8.5
105.07029	13.7
106.07396	0.6
107.04975	0.7
107.08577	1.9
109.10178	0.9
111.24406	0.5
115.05418	2.9
116.06253	1.7
117.07021	15.7
119.08566	1.3
121.10120	0.8
123.11700	1.6
128.06204	2.0
129.07033	2.6
130.04120	1.2
130.07780	11.9
131.04924	19.9
131.08568	1.4
133.06476	1.1
133.10075	0.6
135.08029	0.9
135.11691	1.6
137.05980	3.6
143.08603	3.0
144.05688	8.2
144.09386	0.4
145.06479	28.8
145.10115	59.2
146.10422	2.3
147.04396	1.5
147.08037	0.7
147.11713	1.6
148.05173	4.6
149.02332	1.2
149.06039	0.5
149.09590	0.9
149.13268	0.6
151.07608	0.5
153.06961	0.6
154.07785	0.6
155.06030	1.6
155.08539	3.8
157.06514	0.8
158.07265	14.5
159.08020	1.4
159.11681	1.6
161.05957	4.8
162.06737	2.2
163.07533	11.3
173.09615	81.3
174.09956	3.4
175.07532	2.9
176.08302	7.7
177.09090	1.5
183.09151	1.1
187.14822	1.1
190.09885	2.3
203.10654	0.6
205.12233	100.0
205.15700	2.4
206.12521	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02387	0.3
53.03948	2.2
55.05506	0.7
55.68934	0.2
57.07088	0.4
61.01963	0.2
65.03951	0.3
67.05492	0.3
69.03432	0.3
69.73045	0.3
69.73464	0.8
77.03918	0.9
78.04683	0.2
79.05491	0.5
80.78323	0.3
81.03436	0.4
81.07055	0.4
83.04971	0.3
91.05481	10.7
93.07043	49.9
94.07354	1.0
95.04966	3.0
95.08586	0.5
99.61659	0.2
105.04500	1.2
105.07023	2.7
107.08597	0.9
109.06530	0.4
115.67863	0.2
117.07019	0.8
119.08591	2.1
121.06504	100.0
122.06828	2.0
123.08043	0.2
129.06979	1.0
130.07790	0.3
131.08585	1.8
133.10129	0.5
135.08058	4.1
135.11671	0.5
137.09514	0.2
138.29485	0.2
143.08484	0.3
144.09320	1.8
145.06512	0.5
145.10124	1.6
147.08018	0.4
147.11697	1.7
149.02348	1.4
149.09621	0.7
156.58788	0.2
157.10136	0.5
159.08066	0.9
159.11691	5.7
159.12988	0.4
161.05933	0.3
161.09624	0.3
161.13309	0.5
163.11172	1.2
172.08844	0.6
176.32033	0.2
177.09143	0.2
177.12756	0.9
187.07591	0.3
187.11180	3.6
187.14738	0.2
199.21088	0.2
205.08730	0.6
205.12242	20.1
205.15904	1.1
206.12633	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
54.04902	0.5
55.05506	0.5
63.79376	0.4
67.05505	1.1
71.11128	0.6
79.05493	1.5
81.07046	3.0
91.05473	4.5
93.07039	1.5
95.08606	1.3
103.05455	8.5
105.07029	13.7
106.07396	0.6
107.04975	0.7
107.08577	1.9
109.10178	0.9
111.24406	0.5
115.05418	2.9
116.06253	1.7
117.07021	15.7
119.08566	1.3
121.10120	0.8
123.11700	1.6
128.06204	2.0
129.07033	2.6
130.04120	1.2
130.07780	11.9
131.04924	19.9
131.08568	1.4
133.06476	1.1
133.10075	0.6
135.08029	0.9
135.11691	1.6
137.05980	3.6
143.08603	3.0
144.05688	8.2
144.09386	0.4
145.06479	28.8
145.10115	59.2
146.10422	2.3
147.04396	1.5
147.08037	0.7
147.11713	1.6
148.05173	4.6
149.02332	1.2
149.06039	0.5
149.09590	0.9
149.13268	0.6
151.07608	0.5
153.06961	0.6
154.07785	0.6
155.06030	1.6
155.08539	3.8
157.06514	0.8
158.07265	14.5
159.08020	1.4
159.11681	1.6
161.05957	4.8
162.06737	2.2
163.07533	11.3
173.09615	81.3
174.09956	3.4
175.07532	2.9
176.08302	7.7
177.09090	1.5
183.09151	1.1
187.14822	1.1
190.09885	2.3
203.10654	0.6
205.12233	100.0
205.15700	2.4
206.12521	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1588
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
53.03936	3.4
55.01871	3.4
55.05511	12.0
57.03432	2.5
57.07065	5.5
62.70167	1.4
63.69290	1.3
65.03935	5.1
67.05501	19.7
69.03412	6.4
69.07065	14.5
69.07375	2.3
69.07663	6.4
69.08082	6.6
71.04990	24.1
77.03924	2.3
79.05496	27.6
81.03419	1.8
81.07059	41.3
83.01316	1.5
83.04960	4.3
83.08612	5.2
85.02924	1.6
85.06545	2.6
91.05481	67.5
92.05779	2.7
93.07047	44.3
95.04970	9.4
95.08605	31.6
96.08959	1.4
97.02890	1.6
97.06537	5.4
98.23392	2.3
103.05458	15.7
105.04468	2.2
105.07030	64.2
106.07330	3.0
107.04963	9.0
107.08596	36.2
109.02896	2.1
109.06509	8.2
109.10151	10.1
111.08069	3.4
115.05422	9.4
116.06227	4.5
117.07022	25.0
119.08581	59.2
120.08928	2.3
121.02853	4.5
121.06501	18.9
121.10151	31.1
123.08092	6.8
123.11699	3.7
125.09642	4.7
127.11131	2.0
128.06180	2.0
129.06996	11.8
130.07744	5.9
131.04004	2.1
131.04930	31.8
131.08571	74.8
132.08904	1.7
133.06546	1.5
133.10141	18.8
134.03607	1.7
135.04433	3.6
135.08052	10.6
135.10936	1.5
135.11717	14.7
137.09622	3.5
141.06972	5.0
143.08556	4.1
144.05725	7.4
144.09344	5.5
145.06497	12.6
145.10124	51.8
146.10486	2.8
147.04391	3.4
147.08029	5.8
147.11690	29.4
148.05154	1.6
148.11986	2.5
149.02341	24.2
149.05937	6.9
149.09622	9.1
149.13303	7.2
155.06013	2.1
159.08061	40.7
159.11703	35.3
160.08401	1.5
160.12035	2.8
161.05997	4.6
161.09645	3.5
161.13235	12.9
163.03897	6.8
163.07487	3.5
163.11205	15.2
163.14828	5.5
172.08855	2.8
173.06003	2.8
175.07527	2.4
177.05461	3.3
177.09175	6.9
177.12785	5.0
177.16379	7.3
187.07553	18.4
187.11150	7.4
187.13275	2.8
187.14827	35.6
190.06206	4.1
205.04897	2.6
205.06693	2.8
205.08572	20.6
205.12303	22.3
205.15872	100.0
206.16260	4.4
229.91649	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.05504	12.6
57.03431	1.9
57.07064	5.2
57.55008	1.3
57.66257	1.3
59.04973	1.4
65.03956	2.0
66.87869	1.1
67.05178	1.9
67.05505	25.3
69.03413	4.4
69.07071	13.2
69.31506	6.9
71.04993	1.7
73.48500	1.3
77.03941	1.5
79.05489	19.7
81.07056	38.9
83.04968	3.9
83.08607	5.6
85.02917	2.1
91.05476	39.6
93.07040	50.2
95.04963	8.0
95.08047	2.1
95.08607	32.9
96.09042	1.5
97.06533	7.2
97.10154	3.4
98.23316	2.2
103.05435	4.3
105.07027	67.4
106.07367	2.2
107.04933	3.2
107.08585	40.3
108.08900	1.8
109.06518	11.2
109.10149	16.4
111.08083	9.1
115.05450	9.7
116.06176	2.3
117.07011	25.6
119.08578	33.3
120.08849	1.5
121.02853	2.2
121.06487	7.7
121.09296	2.1
121.10139	31.0
123.08063	7.4
123.11707	8.3
125.09607	1.5
128.06210	1.5
129.06958	3.4
130.04175	1.5
130.07758	3.1
131.04926	2.4
131.08566	43.8
132.08884	1.3
133.06525	2.3
133.10130	13.9
135.08067	7.9
135.11687	18.2
137.09605	4.0
141.75793	1.2
143.08540	3.8
144.05682	1.9
144.09402	1.5
145.06496	12.0
145.10115	63.8
146.10490	2.5
147.08049	1.5
147.11681	69.4
148.12056	2.4
149.02338	12.6
149.06038	2.3
149.09622	10.4
149.13278	15.5
151.11128	1.5
155.06030	2.4
157.10095	2.2
159.08067	3.8
159.11681	29.1
160.05193	3.8
160.12036	1.3
161.05957	5.9
161.09665	1.4
161.13263	10.1
162.10420	1.4
163.03860	1.3
163.07516	2.6
163.11200	6.4
163.14816	5.1
173.05969	8.5
173.09624	5.1
175.03914	1.1
175.07574	2.6
177.05449	1.6
177.09131	2.2
177.12755	7.9
177.16388	9.4
184.51883	1.2
187.07527	3.8
187.11198	3.4
187.14822	44.8
188.15083	1.3
190.06229	6.4
196.51341	1.2
205.04929	2.6
205.06726	2.1
205.08609	23.1
205.12230	18.9
205.15872	100.0
205.19431	9.8
206.16183	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1588
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
51.02372	0.8
52.90470	0.6
53.03944	2.1
55.01866	1.1
55.05509	9.1
56.81829	0.6
57.03439	1.6
57.07079	3.7
65.03940	2.1
67.05502	29.8
68.05822	0.6
69.03437	3.6
69.03758	0.7
69.07069	9.2
71.04991	2.3
71.08636	1.2
76.90004	0.5
77.03903	0.9
79.05492	21.1
80.05826	0.6
81.07054	39.7
82.07381	1.3
83.04986	3.6
83.08618	4.7
85.06528	1.5
91.05479	43.6
92.05814	1.3
93.07043	38.5
94.07349	1.0
95.04987	5.5
95.08605	26.6
97.06534	5.6
97.10179	1.5
99.08112	0.6
103.05434	2.7
105.07029	71.5
106.07384	1.6
107.04943	1.8
107.08593	32.8
108.08973	0.7
109.06525	6.3
109.10140	10.4
111.08086	7.6
115.05454	3.5
116.06228	2.1
117.07016	26.0
118.07330	1.0
119.08579	37.1
120.08880	0.8
121.02879	1.0
121.06512	4.5
121.09284	1.2
121.10143	19.2
123.08067	4.6
123.11695	4.3
125.09647	1.9
127.53671	0.5
128.06207	1.4
128.76808	0.5
129.07019	4.2
130.07782	4.5
131.04929	1.5
131.08568	47.3
132.08780	0.9
133.06517	0.8
133.10132	14.2
135.08038	5.3
135.11684	12.0
137.09612	2.5
139.11206	1.2
143.08546	4.6
144.09341	2.9
145.06465	3.9
145.10121	63.7
146.10425	2.6
147.11684	91.1
148.12021	3.3
149.02348	6.2
149.05971	1.5
149.09622	6.9
149.13263	9.4
151.11176	1.3
157.10127	1.5
158.10925	1.3
159.08075	1.3
159.11693	21.4
160.12093	0.7
161.06012	2.7
161.09688	0.7
161.13249	9.0
162.10382	0.8
163.07568	1.5
163.11197	6.0
163.14790	3.7
172.12463	0.9
173.05920	1.2
173.09618	2.3
174.14069	0.7
175.14850	1.6
177.09169	0.8
177.12747	2.1
177.16371	8.4
178.76135	0.6
187.11195	1.7
187.14815	33.4
188.15092	1.6
190.06154	0.8
205.05000	1.0
205.08562	6.0
205.12384	10.4
205.15875	100.0
206.12689	0.7
206.16228	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.8
52.90470	0.6
53.03944	2.1
55.01866	1.1
55.05509	9.1
56.81829	0.6
57.03439	1.6
57.07079	3.7
65.03940	2.1
67.05502	29.8
68.05822	0.6
69.03437	3.6
69.03758	0.7
69.07069	9.2
71.04991	2.3
71.08636	1.2
76.90004	0.5
77.03903	0.9
79.05492	21.1
80.05826	0.6
81.07054	39.7
82.07381	1.3
83.04986	3.6
83.08618	4.7
85.06528	1.5
91.05479	43.6
92.05814	1.3
93.07043	38.5
94.07349	1.0
95.04987	5.5
95.08605	26.6
97.06534	5.6
97.10179	1.5
99.08112	0.6
103.05434	2.7
105.07029	71.5
106.07384	1.6
107.04943	1.8
107.08593	32.8
108.08973	0.7
109.06525	6.3
109.10140	10.4
111.08086	7.6
115.05454	3.5
116.06228	2.1
117.07016	26.0
118.07330	1.0
119.08579	37.1
120.08880	0.8
121.02879	1.0
121.06512	4.5
121.09284	1.2
121.10143	19.2
123.08067	4.6
123.11695	4.3
125.09647	1.9
127.53671	0.5
128.06207	1.4
128.76808	0.5
129.07019	4.2
130.07782	4.5
131.04929	1.5
131.08568	47.3
132.08780	0.9
133.06517	0.8
133.10132	14.2
135.08038	5.3
135.11684	12.0
137.09612	2.5
139.11206	1.2
143.08546	4.6
144.09341	2.9
145.06465	3.9
145.10121	63.7
146.10425	2.6
147.11684	91.1
148.12021	3.3
149.02348	6.2
149.05971	1.5
149.09622	6.9
149.13263	9.4
151.11176	1.3
157.10127	1.5
158.10925	1.3
159.08075	1.3
159.11693	21.4
160.12093	0.7
161.06012	2.7
161.09688	0.7
161.13249	9.0
162.10382	0.8
163.07568	1.5
163.11197	6.0
163.14790	3.7
172.12463	0.9
173.05920	1.2
173.09618	2.3
174.14069	0.7
175.14850	1.6
177.09169	0.8
177.12747	2.1
177.16371	8.4
178.76135	0.6
187.11195	1.7
187.14815	33.4
188.15092	1.6
190.06154	0.8
205.05000	1.0
205.08562	6.0
205.12384	10.4
205.15875	100.0
206.12689	0.7
206.16228	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1587
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
53.03933	3.0
55.05504	12.6
57.03431	1.9
57.07064	5.2
57.55008	1.3
57.66257	1.3
59.04973	1.4
65.03956	2.0
66.87869	1.1
67.05178	1.9
67.05505	25.3
69.03413	4.4
69.07071	13.2
69.31506	6.9
71.04993	1.7
73.48500	1.3
77.03941	1.5
79.05489	19.7
81.07056	38.9
83.04968	3.9
83.08607	5.6
85.02917	2.1
91.05476	39.6
93.07040	50.2
95.04963	8.0
95.08047	2.1
95.08607	32.9
96.09042	1.5
97.06533	7.2
97.10154	3.4
98.23316	2.2
103.05435	4.3
105.07027	67.4
106.07367	2.2
107.04933	3.2
107.08585	40.3
108.08900	1.8
109.06518	11.2
109.10149	16.4
111.08083	9.1
115.05450	9.7
116.06176	2.3
117.07011	25.6
119.08578	33.3
120.08849	1.5
121.02853	2.2
121.06487	7.7
121.09296	2.1
121.10139	31.0
123.08063	7.4
123.11707	8.3
125.09607	1.5
128.06210	1.5
129.06958	3.4
130.04175	1.5
130.07758	3.1
131.04926	2.4
131.08566	43.8
132.08884	1.3
133.06525	2.3
133.10130	13.9
135.08067	7.9
135.11687	18.2
137.09605	4.0
141.75793	1.2
143.08540	3.8
144.05682	1.9
144.09402	1.5
145.06496	12.0
145.10115	63.8
146.10490	2.5
147.08049	1.5
147.11681	69.4
148.12056	2.4
149.02338	12.6
149.06038	2.3
149.09622	10.4
149.13278	15.5
151.11128	1.5
155.06030	2.4
157.10095	2.2
159.08067	3.8
159.11681	29.1
160.05193	3.8
160.12036	1.3
161.05957	5.9
161.09665	1.4
161.13263	10.1
162.10420	1.4
163.03860	1.3
163.07516	2.6
163.11200	6.4
163.14816	5.1
173.05969	8.5
173.09624	5.1
175.03914	1.1
175.07574	2.6
177.05449	1.6
177.09131	2.2
177.12755	7.9
177.16388	9.4
184.51883	1.2
187.07527	3.8
187.11198	3.4
187.14822	44.8
188.15083	1.3
190.06229	6.4
196.51341	1.2
205.04929	2.6
205.06726	2.1
205.08609	23.1
205.12230	18.9
205.15872	100.0
205.19431	9.8
206.16183	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1588
Annotation	Gibbilimbol C
Peak:m/z	Relative Intensity
52.51675	0.4
53.03956	1.0
55.01869	2.1
55.05512	2.5
57.07073	2.0
65.03943	1.4
67.05502	2.4
69.03420	0.9
69.07066	1.8
69.59326	1.6
71.05017	0.6
71.08662	0.4
79.05495	16.1
79.69602	0.4
81.07057	6.1
83.08632	0.8
91.05480	6.8
93.07045	18.9
95.05004	0.8
95.08609	5.3
97.06557	0.6
97.10141	0.5
103.05461	0.6
105.07031	35.4
106.07371	1.0
107.04991	1.0
107.08595	50.6
108.08936	0.9
109.06519	2.8
109.10137	2.4
115.05445	1.1
117.07053	2.2
119.08585	5.5
121.02870	2.0
121.06517	2.6
121.10146	14.5
122.10502	0.6
123.08074	1.1
131.08572	7.2
133.06540	0.6
133.10133	0.9
135.08035	3.1
135.11716	2.5
143.08501	0.5
145.06494	2.6
145.10135	5.8
147.08002	0.8
147.11707	4.0
148.08885	0.5
149.02353	14.3
149.09618	100.0
149.13188	2.2
150.02681	0.4
150.09949	3.1
159.11671	1.4
161.06050	0.8
161.13277	1.6
163.11183	11.8
163.14827	0.9
167.10681	10.0
173.06015	1.2
175.07597	0.7
177.12798	0.9
177.16418	3.0
187.11163	0.9
187.14789	3.4
205.04948	0.6
205.08548	1.1
205.12283	3.0
205.15877	37.1
206.16313	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.05504	12.6
57.03431	1.9
57.07064	5.2
57.55008	1.3
57.66257	1.3
59.04973	1.4
65.03956	2.0
66.87869	1.1
67.05178	1.9
67.05505	25.3
69.03413	4.4
69.07071	13.2
69.31506	6.9
71.04993	1.7
73.48500	1.3
77.03941	1.5
79.05489	19.7
81.07056	38.9
83.04968	3.9
83.08607	5.6
85.02917	2.1
91.05476	39.6
93.07040	50.2
95.04963	8.0
95.08047	2.1
95.08607	32.9
96.09042	1.5
97.06533	7.2
97.10154	3.4
98.23316	2.2
103.05435	4.3
105.07027	67.4
106.07367	2.2
107.04933	3.2
107.08585	40.3
108.08900	1.8
109.06518	11.2
109.10149	16.4
111.08083	9.1
115.05450	9.7
116.06176	2.3
117.07011	25.6
119.08578	33.3
120.08849	1.5
121.02853	2.2
121.06487	7.7
121.09296	2.1
121.10139	31.0
123.08063	7.4
123.11707	8.3
125.09607	1.5
128.06210	1.5
129.06958	3.4
130.04175	1.5
130.07758	3.1
131.04926	2.4
131.08566	43.8
132.08884	1.3
133.06525	2.3
133.10130	13.9
135.08067	7.9
135.11687	18.2
137.09605	4.0
141.75793	1.2
143.08540	3.8
144.05682	1.9
144.09402	1.5
145.06496	12.0
145.10115	63.8
146.10490	2.5
147.08049	1.5
147.11681	69.4
148.12056	2.4
149.02338	12.6
149.06038	2.3
149.09622	10.4
149.13278	15.5
151.11128	1.5
155.06030	2.4
157.10095	2.2
159.08067	3.8
159.11681	29.1
160.05193	3.8
160.12036	1.3
161.05957	5.9
161.09665	1.4
161.13263	10.1
162.10420	1.4
163.03860	1.3
163.07516	2.6
163.11200	6.4
163.14816	5.1
173.05969	8.5
173.09624	5.1
175.03914	1.1
175.07574	2.6
177.05449	1.6
177.09131	2.2
177.12755	7.9
177.16388	9.4
184.51883	1.2
187.07527	3.8
187.11198	3.4
187.14822	44.8
188.15083	1.3
190.06229	6.4
196.51341	1.2
205.04929	2.6
205.06726	2.1
205.08609	23.1
205.12230	18.9
205.15872	100.0
205.19431	9.8
206.16183	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1587
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03934	0.8
55.05501	2.7
57.07063	1.7
65.03928	1.1
67.05504	3.9
69.03424	0.8
69.07070	3.4
69.84552	0.5
71.04994	19.2
71.29122	0.8
71.30733	0.5
73.78104	0.5
79.05491	4.9
81.07056	13.3
82.30479	0.5
83.05000	0.7
83.08601	1.1
85.06544	1.0
91.05489	8.0
93.07047	14.3
95.04976	2.9
95.08606	15.1
97.06522	2.1
99.08075	1.4
105.07027	33.1
106.07314	0.6
107.07871	0.8
107.08596	12.7
109.06506	3.2
109.10146	3.6
111.08104	2.9
113.09638	10.1
114.09958	0.5
115.05392	0.8
117.07010	4.0
119.08581	17.3
121.02843	1.2
121.06493	2.0
121.09300	0.8
121.10140	12.5
123.08078	1.3
123.11717	4.6
129.06996	1.0
130.07765	1.4
131.08566	15.1
132.08974	0.6
133.10138	2.6
135.08043	1.5
135.11693	5.3
143.08591	1.1
145.06514	1.4
145.10127	28.3
146.10448	0.9
147.08083	0.7
147.11684	34.4
148.12051	1.6
149.02347	10.9
149.09669	3.7
149.13300	2.5
150.02701	0.5
150.06758	1.3
159.08049	1.0
159.11714	7.3
161.09589	0.6
161.13274	6.9
163.11188	2.4
163.14819	3.5
172.84723	0.5
173.09654	1.8
175.07474	0.5
177.12683	1.2
177.16380	0.8
187.11186	1.4
187.14818	36.5
188.15181	2.0
190.09941	0.6
205.10159	1.8
205.12259	6.4
205.15877	100.0
206.10898	0.6
206.12837	1.4
206.16191	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1587
Annotation	Khusimone
Peak:m/z	Relative Intensity
50.19532	0.6
53.03925	0.7
55.05510	4.3
55.21755	0.6
57.03431	0.7
57.07059	2.0
57.21312	0.6
65.03915	0.8
65.27146	0.6
67.05497	6.6
69.07069	5.0
69.10912	1.2
69.11308	5.6
71.04979	0.9
79.05491	5.3
81.07058	42.7
83.08617	1.5
85.06527	1.5
91.05473	4.0
93.07043	12.8
95.04969	2.4
95.08608	40.7
96.08918	0.9
97.06520	6.0
97.10157	1.2
98.22628	1.4
105.07037	9.8
107.08593	17.3
109.06502	2.2
109.10155	9.5
111.08071	1.1
117.06987	2.0
119.08597	7.4
120.08937	0.8
121.06481	2.6
121.10143	18.7
123.08071	17.8
123.10939	0.4
123.11710	11.4
124.12075	0.6
125.09630	4.7
131.08553	4.7
133.10155	3.8
135.08046	2.8
135.11674	5.6
137.09613	44.6
138.09943	1.2
145.10129	12.3
147.11694	6.1
149.02299	1.4
149.09610	2.0
149.13260	5.6
159.11690	5.0
160.12083	0.6
161.13235	5.0
163.11163	1.2
163.14832	2.4
177.12756	1.8
177.16371	8.1
187.14815	18.6
188.15172	0.7
205.15875	100.0
206.16229	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
52.29087	0.4
53.03947	1.3
55.05511	10.7
57.07071	4.2
65.03938	0.5
67.05501	11.5
69.07069	11.8
70.83903	1.0
71.04994	0.5
71.08615	0.8
79.05045	0.4
79.05488	12.0
81.07054	40.0
82.07358	0.6
83.08621	3.9
91.05467	6.3
93.07040	34.5
95.04961	1.1
95.08603	23.9
97.10170	3.2
104.18400	0.5
105.04596	0.4
105.07019	6.5
107.08592	37.6
108.08875	0.8
109.06509	1.1
109.10149	21.9
110.10524	0.5
111.11699	1.0
119.06072	0.6
119.08549	2.3
121.06522	1.0
121.10136	14.5
123.11703	100.0
124.12055	1.9
131.08607	1.0
133.10136	1.0
135.11688	60.3
136.12015	1.6
137.13278	0.7
145.10139	2.0
147.11713	1.9
147.47896	0.4
149.02362	4.5
149.09616	4.2
149.13254	37.2
150.13506	1.0
159.11726	1.3
161.13332	0.6
163.11185	0.7
163.14859	4.1
177.16408	0.8
205.08502	0.7
205.10193	1.3
205.12357	1.3
205.15982	3.3
205.19524	16.5
206.19788	0.8
213.01118	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
51.02385	0.8
53.03940	1.9
54.27157	0.7
55.05510	8.1
57.07079	5.0
65.00121	0.7
65.03953	1.0
67.05509	11.5
69.07069	8.4
70.36877	0.7
71.30948	1.3
79.05496	9.4
81.03443	1.0
81.07058	31.6
81.31406	0.8
82.30252	0.8
83.08628	3.2
87.61470	0.7
91.05479	6.8
93.07044	26.4
94.07372	1.2
95.04973	1.9
95.08047	1.4
95.08611	18.2
96.08941	0.8
97.10181	2.9
97.13068	0.8
98.05577	0.7
103.05504	1.1
103.30232	0.8
105.07029	5.6
107.04955	1.4
107.08598	26.2
109.06540	1.2
109.10154	17.8
109.10909	0.9
111.08064	0.9
117.07012	2.5
119.06055	0.8
119.08592	2.2
121.02878	1.9
121.06507	2.5
121.10144	10.4
123.11710	100.0
124.12027	2.9
131.04967	0.7
131.08562	2.5
134.08890	0.8
135.08061	2.1
135.11694	58.3
136.12073	2.1
145.06503	2.1
145.10126	5.4
147.11693	3.0
149.02345	10.5
149.06020	1.3
149.09587	0.9
149.13263	18.2
159.11635	1.4
161.05907	0.9
163.03900	2.8
163.07478	1.1
163.11163	1.1
163.14828	2.1
173.05888	0.9
173.09578	1.5
177.05551	0.7
177.09125	1.1
187.11192	1.0
187.14885	1.5
190.10011	0.8
205.08556	4.3
205.12241	5.6
205.15926	3.7
205.19585	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
51.02370	0.4
52.67265	0.3
53.03940	1.6
55.05513	9.7
57.07075	4.5
65.03936	1.0
67.05505	9.8
69.03455	0.3
69.07068	19.2
70.07403	0.5
71.08627	1.3
72.70996	0.4
77.03915	0.3
79.05492	14.4
81.03450	0.4
81.07055	55.3
82.07378	1.1
83.08614	5.3
91.05480	7.0
91.80303	0.3
93.07043	55.7
94.07387	0.8
95.04969	1.2
95.08604	27.0
96.08937	0.6
97.10173	5.3
102.71180	0.4
103.05442	0.6
105.07030	6.6
107.08594	34.8
108.08933	0.7
109.10155	22.0
110.10490	0.6
111.11701	1.9
117.07011	0.6
119.08562	2.2
121.02842	1.1
121.04016	0.5
121.10140	100.0
122.10480	2.5
123.08063	0.4
123.11707	10.6
130.07788	0.3
131.04944	0.5
131.08582	0.9
133.07620	0.5
133.10117	0.5
135.11688	19.2
137.13281	1.2
145.06477	0.4
145.10118	2.1
147.11707	0.8
149.02339	7.2
149.13255	39.8
150.13599	1.5
158.07332	0.4
159.11668	1.2
160.03606	0.3
161.05937	0.4
163.14821	3.9
173.09596	1.0
177.06927	0.5
177.12659	0.7
177.16478	0.4
187.11086	0.4
187.14842	0.7
190.07767	1.2
191.08516	0.6
205.06361	1.3
205.08469	0.4
205.10109	2.9
205.12239	2.4
205.16014	3.0
205.19516	21.0
206.10789	0.6
225.52200	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
50.64524	0.5
53.03938	1.6
54.53007	0.6
55.05511	8.7
56.62811	0.5
57.07073	3.0
59.83793	0.5
65.03934	0.6
67.05507	8.1
67.73811	0.5
69.07069	18.0
71.08632	1.3
71.09614	1.2
77.03954	0.7
79.05495	11.8
81.07057	50.5
82.07378	0.7
83.08618	3.9
91.05473	6.5
91.62132	0.5
93.07046	48.5
95.04965	1.0
95.08608	23.8
97.10163	4.9
105.04489	0.8
105.07033	4.2
107.08596	27.4
108.08906	0.9
109.06483	0.7
109.10155	19.7
110.10568	0.6
111.11732	1.2
119.08561	0.5
121.10142	100.0
122.10503	2.1
123.11705	9.0
135.11693	14.4
137.13274	1.0
149.13260	41.9
150.13602	0.6
163.14842	3.8
205.19527	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.4
53.03943	1.4
55.05513	9.3
56.24168	0.5
57.07077	3.5
65.03940	0.9
67.05502	10.0
69.07069	19.2
69.13720	3.5
71.08624	0.7
74.30863	0.5
79.05492	12.5
81.07057	52.7
82.07391	0.9
83.08621	6.0
91.05477	6.2
93.07045	51.1
94.07371	1.1
95.04967	1.0
95.08606	27.0
97.10174	4.8
98.22621	1.0
105.07030	5.6
107.08592	33.4
108.08943	0.8
109.10153	21.0
110.10516	0.8
111.11720	1.9
117.06983	0.5
119.08588	1.3
121.10143	100.0
122.10484	2.7
123.08105	0.7
123.11703	10.8
125.13287	0.6
131.08586	0.5
133.07689	0.6
135.11690	19.5
137.09644	1.0
137.13245	1.8
145.06490	0.4
145.10124	1.1
147.11691	1.3
149.02365	2.5
149.13254	43.0
149.32324	0.4
150.13602	1.5
161.13194	0.5
163.14867	4.1
168.08763	0.4
173.09612	0.5
187.14777	0.5
205.12234	0.8
205.15936	3.0
205.19530	19.4
206.19910	0.5
220.27997	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03941	1.0
55.05507	8.0
55.90275	0.4
57.07072	2.7
57.54719	0.4
63.29668	0.4
65.03939	0.7
67.05505	7.2
69.07069	17.8
69.15018	2.8
69.15428	0.9
71.08633	0.9
79.05065	0.7
79.05494	11.5
81.07056	50.4
82.07368	0.8
83.08616	4.9
91.05478	6.1
93.07044	46.0
94.07404	1.1
95.04961	0.8
95.08603	24.4
96.08951	0.7
97.10157	4.0
105.04463	0.5
105.07025	4.7
106.27709	0.5
107.08593	26.9
108.08901	0.7
109.10155	18.2
111.11704	1.4
119.08569	1.4
121.10140	100.0
121.72067	0.5
122.10458	2.7
123.11708	8.4
133.33990	0.5
135.11690	15.4
137.13245	1.0
145.06471	0.7
145.10123	0.5
147.11685	0.7
149.02367	1.3
149.13257	34.6
150.13622	1.3
163.14838	2.6
173.05981	0.7
190.06337	0.7
205.08524	1.0
205.12119	0.5
205.19516	15.6
206.19626	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
55.05508	9.6
57.07062	4.0
61.18821	1.0
67.05508	7.0
69.07065	18.6
70.87856	2.3
71.08649	1.4
72.23296	1.1
76.52133	1.1
79.05487	8.8
79.86214	1.1
81.07056	56.0
83.08627	6.7
84.83191	1.0
91.05477	4.2
91.21210	1.0
93.06467	2.3
93.07046	43.0
94.07335	1.4
95.08046	2.0
95.08604	25.2
97.10166	6.7
99.30856	1.0
105.07005	3.3
107.08596	33.7
109.10157	25.1
111.11712	3.0
119.06069	1.2
119.08572	1.6
121.10142	100.0
122.10489	1.8
123.11702	10.7
135.11693	21.1
137.13223	2.2
139.86407	1.0
149.02330	1.7
149.13251	46.0
163.14833	3.5
170.15446	1.1
205.19528	27.6
205.21378	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.8
53.03940	1.9
54.27157	0.7
55.05510	8.1
57.07079	5.0
65.00121	0.7
65.03953	1.0
67.05509	11.5
69.07069	8.4
70.36877	0.7
71.30948	1.3
79.05496	9.4
81.03443	1.0
81.07058	31.6
81.31406	0.8
82.30252	0.8
83.08628	3.2
87.61470	0.7
91.05479	6.8
93.07044	26.4
94.07372	1.2
95.04973	1.9
95.08047	1.4
95.08611	18.2
96.08941	0.8
97.10181	2.9
97.13068	0.8
98.05577	0.7
103.05504	1.1
103.30232	0.8
105.07029	5.6
107.04955	1.4
107.08598	26.2
109.06540	1.2
109.10154	17.8
109.10909	0.9
111.08064	0.9
117.07012	2.5
119.06055	0.8
119.08592	2.2
121.02878	1.9
121.06507	2.5
121.10144	10.4
123.11710	100.0
124.12027	2.9
131.04967	0.7
131.08562	2.5
134.08890	0.8
135.08061	2.1
135.11694	58.3
136.12073	2.1
145.06503	2.1
145.10126	5.4
147.11693	3.0
149.02345	10.5
149.06020	1.3
149.09587	0.9
149.13263	18.2
159.11635	1.4
161.05907	0.9
163.03900	2.8
163.07478	1.1
163.11163	1.1
163.14828	2.1
173.05888	0.9
173.09578	1.5
177.05551	0.7
177.09125	1.1
187.11192	1.0
187.14885	1.5
190.10011	0.8
205.08556	4.3
205.12241	5.6
205.15926	3.7
205.19585	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.05510	13.7
57.07069	6.5
65.03925	1.3
67.05504	12.3
69.07066	22.8
71.08620	3.1
77.26653	1.1
79.05492	14.8
81.07054	60.2
82.07352	1.2
83.08617	7.7
91.05475	9.9
93.07043	52.6
95.04958	1.1
95.08607	35.7
97.10169	7.5
98.23352	3.1
105.07023	8.1
107.08595	42.8
108.08949	1.7
109.10149	32.6
111.11724	4.2
115.06878	1.0
119.08582	3.4
121.10142	100.0
122.10467	2.4
123.11695	18.8
135.11691	31.2
145.06477	2.0
145.10100	5.6
147.11693	2.1
149.02335	19.5
149.13254	59.9
150.13574	1.6
159.11758	1.7
161.33206	1.2
163.14803	7.9
173.09622	4.5
177.06812	1.4
177.16641	1.1
205.06467	3.2
205.10246	2.3
205.12225	6.6
205.15916	4.1
205.19530	37.4
205.21373	2.3
206.19859	1.2
228.83369	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.03944	2.5
55.05513	11.0
57.07076	3.7
67.05502	9.9
69.07072	20.9
69.42817	5.2
71.08630	1.3
78.38351	0.8
79.05488	12.7
79.43782	0.8
81.07059	56.9
83.08617	6.2
91.05483	8.3
93.07047	52.0
95.08608	28.0
95.09226	1.0
97.10187	5.8
97.79097	0.9
97.97310	1.0
105.07027	5.8
107.08596	37.0
109.10154	21.4
111.11723	2.2
119.08588	1.6
121.10144	100.0
122.10484	2.5
123.11728	9.3
135.11688	19.1
137.13268	1.5
147.11667	1.7
149.02399	1.2
149.13258	47.2
163.14841	3.3
175.40504	0.9
187.43420	1.1
201.73825	0.9
205.12231	1.2
205.15784	1.2
205.19534	22.2
206.19897	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
55.05507	13.0
56.96534	1.5
57.07077	13.2
65.03945	3.7
65.26048	1.3
67.05498	18.2
69.07067	20.9
69.41341	3.1
69.41732	4.4
71.08638	2.5
79.05486	17.0
80.05003	1.5
81.07053	49.7
83.08615	7.4
91.05489	14.9
93.07037	43.2
95.04956	2.9
95.08606	42.2
97.10155	6.0
98.86642	1.4
103.05472	1.8
105.07011	11.2
107.08591	45.4
108.08928	1.6
109.06520	2.6
109.10151	34.3
109.10912	2.0
111.11706	2.4
117.07036	3.3
119.08584	6.1
121.02869	7.2
121.03928	2.9
121.06480	2.7
121.10136	25.7
123.11700	100.0
124.12042	2.3
131.08607	2.8
133.10104	3.7
135.08076	1.7
135.10658	3.4
135.11687	65.1
136.12010	1.5
138.98035	1.4
143.08626	2.0
143.19656	1.7
144.09271	1.5
145.06471	2.0
145.10135	11.6
147.11700	5.5
149.02335	59.3
149.09669	1.6
149.12149	3.1
149.13257	45.3
150.02681	2.2
150.13631	1.8
159.11641	2.8
161.13292	1.5
162.10399	1.8
163.11293	1.9
163.14812	7.0
177.12686	2.1
184.00386	1.4
187.11127	2.4
187.14786	6.1
190.74197	1.7
205.06448	1.8
205.10336	1.7
205.12128	8.5
205.15816	12.4
205.19536	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
55.05511	5.6
57.07073	4.4
60.66827	0.5
61.33678	0.6
65.03927	1.0
67.05509	6.9
69.07061	6.0
69.56993	1.8
69.57405	1.1
71.86255	0.5
75.31043	0.5
79.05502	7.6
81.07058	28.4
83.08614	2.6
91.05486	4.2
93.07046	21.6
95.04972	0.7
95.08616	10.6
97.10162	0.9
98.22615	0.7
98.38814	0.5
105.07027	3.7
107.08597	25.4
109.10160	13.7
115.05560	0.7
117.07030	2.0
119.08575	1.5
121.02943	0.8
121.10148	7.7
123.11710	100.0
124.12019	2.9
129.07008	1.0
130.07832	0.8
131.08592	1.6
133.10222	0.7
135.11696	53.6
136.12016	1.3
137.13272	0.8
144.09326	1.1
145.06439	0.7
145.10127	7.0
149.02371	5.2
149.13260	8.9
154.35222	0.5
159.11664	3.6
163.14799	1.7
169.06587	0.6
176.06247	1.7
177.05560	0.6
177.07005	2.2
187.11311	0.7
189.06952	1.3
190.07791	2.6
191.08583	0.7
203.08517	0.8
204.09143	0.8
205.06505	8.4
205.10112	9.3
205.12247	5.4
205.15935	1.1
205.19553	7.2
206.07057	1.1
206.10765	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0652
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-8-carboxynaphthalene
Peak:m/z	Relative Intensity
51.02404	0.9
53.03960	0.9
53.35873	0.5
55.01873	10.0
55.05539	0.7
56.54942	0.4
56.96577	0.4
57.03455	0.5
57.07098	0.5
63.02371	0.6
65.03934	5.9
67.05527	2.4
68.17825	0.5
68.99827	1.8
69.03448	1.4
69.07076	1.0
71.05005	0.7
71.30301	0.8
77.03924	2.2
78.04707	0.6
79.05484	4.5
80.63521	0.5
81.03423	1.1
81.07087	1.5
83.04964	0.5
83.08619	0.5
89.03912	2.6
90.04727	0.8
91.05479	59.5
92.05801	1.1
93.03424	1.2
93.07032	2.4
93.20779	0.4
94.06584	0.8
95.04967	3.2
95.08633	1.6
97.06551	0.5
99.04465	0.8
103.05467	4.5
104.02638	1.0
105.03391	3.0
105.07024	12.1
106.06548	2.5
107.04946	4.1
107.08585	2.3
108.04470	1.0
108.05739	0.9
109.06535	1.6
111.04434	0.8
115.05453	16.3
117.03357	0.7
117.07037	2.1
118.04160	5.7
119.04942	50.3
119.08585	5.3
120.04476	8.4
120.05308	1.2
121.02873	1.3
121.06514	2.0
121.10157	1.5
122.03697	0.7
123.04427	100.0
123.08072	1.8
124.04766	2.3
128.06252	1.5
129.03294	1.3
129.06999	3.4
131.04932	6.8
131.08595	1.1
132.02057	4.8
132.05658	0.6
133.02861	3.3
133.06505	9.8
133.07486	0.7
133.10143	2.1
134.06013	6.0
135.04417	4.9
135.08070	1.3
135.11726	0.7
136.05209	2.0
137.02347	5.3
137.03397	0.8
137.05974	4.0
137.09621	1.3
139.03893	0.9
143.04916	19.4
143.08582	1.7
144.04314	0.7
145.02815	1.5
145.06509	1.7
145.10101	0.8
145.61769	0.5
146.03632	2.6
147.04405	59.3
147.08044	5.8
147.11661	1.5
148.03828	0.9
148.04855	1.3
149.02344	7.8
149.05983	4.0
149.09592	1.6
150.02988	0.5
151.03899	4.3
151.07521	3.6
153.05295	0.5
157.03975	4.4
157.06465	1.9
158.07274	0.7
159.04420	2.7
160.01575	0.6
160.22691	0.5
161.05974	66.0
161.09586	5.4
161.13258	1.9
162.03157	0.8
162.05438	13.3
163.03905	5.1
163.07535	1.2
164.04677	4.2
165.05489	6.9
165.09103	2.7
171.04372	1.3
171.11681	0.6
172.03915	0.9
174.03181	0.8
174.06755	1.9
175.03903	36.1
176.04335	1.3
177.01788	1.6
177.05449	8.0
179.03368	1.4
179.06998	15.9
179.10532	0.8
180.06499	5.9
189.05421	9.6
189.09067	4.3
189.12727	1.0
190.04984	21.0
191.05345	0.8
192.04172	14.8
197.01196	0.6
207.06441	39.9
207.10098	4.7
207.13805	3.7
207.17496	0.6
208.06021	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1014
Annotation	Aristelegone C
Peak:m/z	Relative Intensity
50.06261	1.0
54.52973	0.9
55.05502	2.9
59.32854	0.8
66.98496	0.8
67.05497	3.8
69.03406	2.1
69.30408	1.8
69.30814	4.9
74.48124	0.8
79.05486	3.9
80.56001	0.8
81.07059	6.2
83.01340	1.5
83.04982	1.9
91.05482	6.2
93.07022	4.2
95.04974	1.8
95.08607	6.2
98.22618	1.8
99.99232	1.0
105.03376	2.6
105.07030	12.9
107.04927	2.6
107.08598	2.4
109.06501	4.5
109.10150	3.0
111.04400	1.3
115.05433	2.1
117.07035	3.2
118.07796	1.1
119.08566	4.7
121.06515	2.2
122.07261	1.4
123.08073	9.9
123.11707	1.8
128.06218	7.0
131.04889	1.8
131.08578	2.1
133.06473	2.0
133.10138	11.6
135.08051	5.4
137.04973	1.6
137.05978	22.2
137.09604	5.1
138.06760	7.9
143.08539	7.7
145.06491	2.8
146.07278	8.1
147.08003	5.7
147.11736	1.5
149.09587	1.1
151.07542	60.3
151.11108	1.6
152.07901	1.3
161.05942	1.1
161.08257	1.2
161.09619	22.3
163.07512	5.8
164.08246	2.0
165.05472	12.4
165.09119	39.6
166.09537	1.0
167.06995	1.0
170.70314	0.9
171.08121	4.4
174.06763	8.7
177.05440	2.6
178.06192	1.6
179.10667	32.3
189.09105	66.9
190.09457	2.1
192.07774	9.0
192.09341	1.3
207.10162	100.0
208.10498	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1017
Annotation	Narchinol A
Peak:m/z	Relative Intensity
53.03938	2.5
54.79836	0.9
55.01864	5.3
55.05502	5.4
57.03428	4.3
57.07073	1.2
57.81530	1.1
64.07294	1.0
65.03930	2.4
67.05508	12.9
68.99783	1.5
69.03432	7.7
69.07052	3.7
71.04979	7.0
79.05492	14.9
81.03413	2.4
81.07059	25.1
83.01347	1.2
83.04976	3.0
83.08597	1.3
85.02911	1.3
85.38345	1.3
88.71506	1.1
91.05485	48.0
92.22815	1.0
93.07048	18.5
94.07372	1.2
95.04967	9.1
95.08611	12.8
97.02885	2.1
97.06542	2.7
99.04431	5.6
103.05454	3.8
105.07031	56.5
106.07365	1.5
107.04954	6.3
107.08589	9.9
109.06522	46.4
109.10162	12.6
111.04443	8.1
111.08062	2.4
115.05418	2.4
117.07034	9.5
118.07774	1.7
119.04943	6.1
119.08582	100.0
120.08891	2.9
121.06508	6.5
121.10182	5.1
123.04419	8.8
123.08057	9.9
123.11681	3.4
125.05988	1.5
128.06213	7.6
129.07018	6.8
130.07785	1.4
131.08572	5.2
133.06522	5.4
133.10124	35.6
135.08052	5.3
135.11749	1.4
136.05164	1.3
137.05980	18.6
137.09615	43.5
143.08539	11.7
145.06525	1.7
145.10139	5.2
146.07254	4.1
147.04393	4.6
147.08057	26.2
147.11696	7.0
149.02336	3.2
149.05954	3.5
149.09596	4.1
149.13239	2.0
151.07571	4.7
151.11177	10.0
153.09074	1.3
157.06508	2.3
161.05939	4.1
161.09625	61.5
161.13252	4.0
162.09964	2.1
163.03793	1.0
163.07556	3.0
163.11147	2.8
163.14781	1.2
164.04677	3.6
165.09113	24.2
171.08054	2.8
174.06747	3.3
175.07524	2.2
178.07709	2.1
179.07030	2.8
179.10675	29.6
180.11104	1.2
184.39330	1.0
189.09111	24.8
189.12721	3.9
189.16377	5.7
190.04988	3.9
190.09619	1.3
192.04210	1.9
192.09325	4.1
207.06516	12.4
207.10146	72.8
207.11646	3.3
207.13783	9.2
207.17387	7.3
208.10551	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
53.03939	0.7
55.01862	0.6
55.05506	1.1
57.03426	0.4
57.07058	0.3
57.24439	0.3
59.05003	0.3
67.05495	1.3
69.03416	1.1
69.07050	1.0
69.08145	1.8
69.08576	1.3
71.04985	0.8
79.05501	2.5
81.07066	1.9
83.04963	0.5
85.02908	1.7
85.06520	0.4
87.90850	0.3
90.04653	0.4
91.05482	11.4
93.07045	5.5
95.04958	0.7
95.08588	1.6
98.22650	0.7
103.05486	1.9
105.07026	8.6
106.07347	0.9
107.04977	2.1
107.08587	3.1
109.06488	1.3
109.10156	1.4
111.08074	0.6
115.05442	1.4
116.06235	1.0
117.07058	1.7
118.04151	3.1
118.07780	0.4
119.04992	2.3
119.08577	6.0
121.05563	0.4
121.06500	3.8
121.10141	11.5
122.10458	0.4
123.08072	2.3
123.09971	0.4
123.11673	1.1
128.06232	2.9
129.07001	6.9
130.07764	1.0
131.03987	0.5
131.04933	6.9
131.08585	3.7
132.05670	0.7
133.02879	0.5
133.06546	1.7
133.10107	2.9
135.08044	0.6
135.11664	0.5
137.05974	0.5
137.09537	0.7
143.04929	0.9
143.08546	1.2
144.05716	1.0
145.06479	3.1
145.10091	1.2
146.03621	2.0
146.07272	5.6
147.04391	0.5
147.08037	2.2
147.11685	5.1
148.05174	5.3
149.05966	0.5
149.09618	5.0
151.07542	1.3
155.06000	0.7
156.09326	1.0
157.06491	2.0
158.07242	0.6
159.04405	0.7
159.07991	0.7
159.11710	0.4
161.05975	100.0
161.09602	22.7
161.13150	1.6
162.06340	3.2
162.09998	0.7
163.07538	1.2
163.11148	0.8
165.09177	0.6
165.12752	0.5
171.11684	0.9
174.06749	3.8
174.10455	0.4
177.12839	0.3
179.07008	0.6
179.10699	0.5
189.09103	20.8
189.12724	3.5
189.16313	1.7
190.04875	0.4
190.09518	0.9
207.06529	0.5
207.10184	5.1
207.13812	6.7
207.17451	1.1
208.14107	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1015
Annotation	Aristelegone C
Peak:m/z	Relative Intensity
53.03945	2.3
55.01868	1.5
55.05507	3.9
57.03436	1.2
57.07081	1.3
64.78538	1.0
65.03939	2.4
66.17482	1.0
67.01866	3.5
67.05502	6.3
69.03427	5.4
69.07065	3.8
71.04993	2.7
71.29966	1.1
72.84186	1.0
74.62423	1.1
77.03920	1.2
79.05493	10.6
79.62624	1.0
81.07060	8.8
83.04994	5.5
85.02907	7.1
85.06552	1.6
85.23204	1.1
91.05481	47.1
93.07034	10.1
95.04960	3.3
95.08596	7.6
97.02879	6.1
97.06543	7.8
103.05463	5.1
104.06226	2.2
105.07027	35.2
107.04974	1.8
107.08591	8.0
109.06509	9.2
109.10145	6.5
111.04443	17.3
111.08105	1.6
115.05457	2.7
117.07033	14.5
118.04185	1.1
118.07773	1.2
119.04945	7.3
119.08577	40.9
121.06519	3.5
121.10151	5.5
123.04408	2.8
123.08044	3.6
123.11700	6.6
125.06028	1.5
128.06268	6.3
129.06996	6.5
130.07794	2.4
131.04971	1.6
131.08595	4.0
132.05725	1.2
133.06512	3.4
133.10126	68.1
134.10439	1.9
135.08072	1.8
135.11752	1.7
136.05186	2.4
137.05975	4.0
137.09595	5.7
138.63506	1.1
143.08553	8.2
145.06447	2.7
145.10141	5.1
146.07278	8.3
147.04396	5.4
147.08046	100.0
147.11679	7.0
148.08391	3.3
149.02338	4.8
149.09637	3.2
149.13310	2.3
151.07545	4.4
161.05977	5.5
161.09618	83.6
161.13284	4.7
162.09911	2.3
163.11162	1.8
164.04651	6.3
165.09119	7.6
165.12738	1.6
171.08047	2.2
171.11774	1.3
174.06781	2.0
175.03906	1.7
179.05441	1.3
179.07079	3.7
189.09119	21.7
189.12810	4.0
189.16406	4.6
191.03412	1.3
192.04175	2.2
192.09329	3.4
207.06480	10.4
207.08261	1.9
207.10054	12.0
207.11778	3.9
207.13591	10.0
207.17468	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1017
Annotation	Aristelegone C
Peak:m/z	Relative Intensity
53.03946	3.8
54.36576	0.7
54.55830	0.8
55.01857	1.9
55.05510	5.3
56.09039	0.7
57.03425	1.8
65.03936	1.5
67.05502	6.9
68.99778	1.0
69.03119	0.9
69.03429	7.6
69.07052	2.3
71.04969	2.2
71.30789	1.3
72.24579	0.8
77.03889	1.1
79.05495	8.8
81.03407	1.3
81.07058	9.1
83.04937	1.1
85.02889	2.0
85.06529	0.9
85.79204	0.7
91.05481	32.3
93.07045	34.5
95.04980	5.6
95.08617	6.5
97.06500	2.3
103.05453	3.7
103.90208	0.8
105.07031	54.8
106.07318	1.5
107.04987	4.6
107.08591	13.6
109.02878	1.3
109.06493	3.5
109.10151	7.3
111.08051	1.4
115.05440	1.8
116.06242	1.6
117.06986	3.6
118.04153	4.4
118.07787	1.6
119.04948	13.7
119.08580	10.0
120.04475	1.0
121.06505	8.0
121.10146	4.1
123.04399	3.0
123.08120	3.9
123.08852	0.8
123.11657	1.5
125.05965	1.0
128.06223	6.8
129.06990	8.4
130.07770	1.8
130.21252	0.8
131.04922	5.7
131.08575	5.4
133.06499	5.6
133.10130	41.5
134.10435	1.4
135.08087	1.0
135.11667	3.9
136.05151	2.0
137.05991	9.3
137.09618	12.2
141.06960	0.9
143.08543	9.6
145.06422	2.8
145.10117	8.2
146.03596	3.1
146.07260	9.3
147.04407	4.7
147.08069	4.3
147.11673	4.6
148.05249	4.5
149.02303	3.2
149.06017	1.6
149.09583	2.8
149.13214	2.7
151.07523	6.2
151.11107	1.6
157.06442	3.1
159.07982	1.1
161.05983	100.0
161.09618	49.9
161.13202	3.1
162.06291	2.4
162.09908	1.4
163.03882	1.3
163.07549	0.9
163.11189	24.2
164.04686	4.9
165.05486	1.8
165.09131	4.9
171.07985	1.5
174.06766	4.8
179.07130	4.8
179.10687	5.3
181.75256	0.8
189.09105	39.7
189.12656	1.3
189.16342	2.8
190.04947	1.3
190.09363	1.0
192.04097	2.1
192.09270	3.5
207.06509	9.6
207.08177	1.3
207.10114	26.5
207.11728	2.0
207.13733	3.9
207.17366	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
50.06768	0.4
53.03937	0.5
55.05505	0.6
59.38295	0.4
65.03957	0.3
67.05502	1.1
69.03425	0.9
69.07076	0.4
69.09225	1.6
69.09653	1.5
71.04987	0.5
72.40578	0.3
76.04805	0.3
79.05488	1.8
81.07050	1.0
83.04977	1.2
91.05489	9.9
93.07036	1.6
95.04977	1.0
95.08612	0.6
102.23110	0.3
103.05440	1.4
105.07035	7.2
107.04954	2.0
107.08591	2.6
109.06509	2.2
109.10159	0.5
115.05441	1.2
116.06226	0.8
117.07013	1.5
118.04150	3.6
119.04948	2.5
119.08575	3.0
120.64814	0.3
121.06503	4.1
121.10119	1.2
122.97072	0.4
123.08060	3.2
123.11732	0.5
128.06226	3.9
129.07007	8.8
130.07791	0.8
131.04922	6.2
131.08583	2.5
132.05692	0.6
133.06517	1.5
133.10139	2.0
137.05972	0.7
137.09566	1.0
143.08615	0.6
144.05702	0.6
145.06470	2.5
145.10120	0.9
146.03638	2.4
146.07288	6.1
147.04401	1.0
147.08058	1.0
147.11653	1.9
148.05202	4.6
149.06018	0.3
149.09607	6.1
151.07530	1.4
155.06049	0.6
157.06487	4.9
158.07227	0.6
159.04417	0.8
159.08009	0.6
160.08791	0.8
161.05975	100.0
161.09605	21.8
161.13197	1.0
162.06345	2.6
162.10004	0.4
163.11157	4.0
165.12781	0.6
168.16678	0.4
171.11711	1.0
173.06075	0.4
174.06766	4.9
175.03831	0.4
179.06920	0.4
189.09099	28.1
189.12683	2.9
189.16200	0.4
190.04991	1.4
190.09377	0.5
203.72801	0.4
207.06435	0.9
207.08299	0.6
207.10191	3.3
207.13777	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
53.03936	0.4
55.05492	0.5
67.05502	0.3
69.07051	0.4
69.48326	0.6
69.48743	1.3
71.11806	0.2
79.05472	1.1
81.07024	0.4
82.60638	0.3
91.05476	7.3
92.14437	0.3
93.07039	0.7
95.04990	0.6
95.08614	0.4
102.12225	0.3
102.17943	0.3
103.05450	1.0
105.07020	5.4
107.04971	1.9
107.08553	0.7
109.06525	0.6
115.05425	0.8
116.06201	0.6
117.06998	1.0
118.04152	3.5
118.07820	0.6
119.04939	2.0
119.08568	1.3
121.06512	2.6
121.10162	0.4
123.08034	0.4
128.06200	2.1
129.06999	5.1
130.07793	0.8
131.04924	5.6
131.08546	1.9
132.05675	0.6
133.06490	1.4
133.10115	1.0
143.08522	0.3
144.05731	0.9
145.06445	1.6
145.10106	0.3
146.03630	1.7
146.07260	6.1
147.04417	0.7
147.08009	1.0
147.11684	0.7
148.05180	4.2
149.05963	0.4
149.09604	1.0
151.07578	0.8
157.06485	1.8
159.04402	0.4
159.08032	0.6
159.09230	0.6
160.08807	0.5
161.05972	100.0
161.09602	23.3
162.06351	3.0
162.09976	1.0
163.07533	3.9
165.09050	0.4
165.12865	0.4
169.79750	0.3
171.08022	0.4
173.05814	0.3
174.06767	2.5
189.09102	23.9
190.09445	0.7
207.06415	0.4
207.10205	2.3
207.13789	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
53.03941	1.0
53.74013	0.4
55.01862	0.9
55.05524	2.1
55.05731	0.4
64.44341	0.5
67.05492	1.8
69.03421	2.2
69.07067	2.1
71.04982	1.3
75.89761	0.4
76.88591	0.4
78.82443	0.4
79.05485	3.1
79.80717	0.4
81.07054	3.9
83.04975	1.7
83.08576	0.4
85.02902	2.3
85.06532	1.0
91.05485	12.5
93.07049	7.7
95.04971	3.5
95.08597	3.1
97.06508	1.9
99.04487	0.5
103.05475	1.8
104.03185	0.4
104.06261	0.5
105.07034	16.7
107.04958	2.4
107.08591	7.2
109.06513	7.2
109.10138	2.2
111.08083	2.9
115.05452	1.6
116.06231	1.2
117.07014	2.2
118.04167	2.6
119.04943	4.2
119.08583	8.2
121.06520	4.9
121.10136	4.7
123.04431	0.6
123.08072	4.1
123.11678	2.1
125.06000	0.8
128.06212	3.8
129.06125	0.6
129.07014	7.9
130.07803	0.7
131.04921	5.9
131.08566	3.3
132.05733	0.9
133.02811	0.4
133.05591	0.4
133.06465	2.3
133.10129	8.8
135.08063	1.2
135.11629	0.8
137.06032	2.1
137.09605	2.6
137.13266	0.8
141.06903	0.5
143.08568	2.5
144.05711	0.9
145.06522	2.2
145.09169	0.4
145.10150	3.1
146.03622	2.2
146.07286	6.9
147.04428	1.1
147.08057	3.2
147.11673	5.7
148.05188	4.6
149.09633	5.5
151.07547	6.0
156.09361	1.0
157.06483	3.2
159.04385	0.8
159.08054	1.5
160.08900	0.6
161.05978	100.0
161.09610	28.6
161.13231	3.8
162.06363	2.9
162.09953	0.7
163.07538	1.0
163.11169	4.8
164.04688	0.6
164.08363	0.6
165.09125	0.6
165.12746	5.2
171.11612	2.0
174.06767	4.7
174.10439	2.8
175.07539	0.5
177.09143	0.5
179.07031	1.1
179.10672	1.3
189.09106	27.5
189.12692	5.9
189.16342	0.9
190.05029	0.6
190.09491	1.0
192.09216	0.5
207.06563	1.4
207.10127	6.8
207.11673	0.7
207.13800	12.4
207.17474	1.4
208.14021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.01105	1.1
51.02386	1.3
53.03938	1.9
55.01874	3.1
55.05516	12.3
57.03431	2.1
57.07075	6.0
58.04622	1.2
59.04997	3.7
65.03938	4.7
67.05506	15.9
67.84058	1.3
69.03432	7.9
69.07067	12.5
69.23441	8.6
71.04990	8.8
77.03927	1.9
79.05495	12.1
79.60455	1.1
81.07063	22.3
83.04988	7.9
83.08619	5.9
85.06552	7.4
88.21194	1.1
91.05483	46.3
93.06468	2.1
93.07046	18.7
95.04980	18.6
95.08612	32.2
96.71496	1.2
97.06540	9.5
98.22609	2.9
99.04462	6.9
103.05462	2.6
105.07033	43.8
107.04979	2.0
107.08595	26.7
109.06522	33.5
109.10175	11.4
111.04431	3.7
111.08082	6.9
113.06023	2.0
115.05428	1.6
116.06290	1.1
117.07034	3.7
118.04180	2.5
119.04946	23.5
119.08587	65.2
120.05247	1.6
120.09367	4.2
121.06508	5.9
121.10151	26.6
123.04400	1.7
123.08073	28.7
123.11714	9.8
124.08842	1.9
125.06016	1.9
125.09669	2.2
129.07034	2.5
130.07819	1.7
131.04900	1.4
131.08615	8.3
132.01987	1.5
133.06479	4.4
133.10141	21.2
134.05984	1.7
135.08055	15.5
135.11719	12.0
137.06006	8.6
137.09624	15.5
137.13237	8.2
139.07547	3.7
143.08514	1.9
145.10114	8.1
146.10889	2.5
147.04417	12.9
147.08046	9.8
147.11691	44.7
149.02324	2.9
149.09622	31.0
151.07564	19.5
151.11182	14.0
156.09344	9.6
157.03960	2.1
159.08066	3.6
159.11684	3.8
160.08894	1.5
161.06001	3.3
161.09624	5.4
161.13268	31.0
162.05498	3.9
162.13666	1.4
163.11209	6.2
165.09132	5.5
165.12762	21.7
171.11691	9.5
171.32463	1.3
174.10400	4.7
175.03915	16.4
179.06996	3.0
179.14323	11.3
180.06551	1.4
183.48082	1.2
185.23212	1.2
189.09119	2.2
189.12743	30.6
189.16391	1.3
190.05002	2.7
192.04172	5.6
207.06377	8.7
207.13809	100.0
208.06067	3.9
208.14117	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.85671	0.9
53.03936	2.4
53.24162	0.9
55.01862	2.0
55.05270	1.4
55.05512	17.0
57.03426	1.6
59.04985	1.1
60.19510	0.8
60.70706	0.9
63.83560	1.0
65.03936	2.3
67.05503	12.6
69.03426	5.2
69.07063	6.0
69.17551	7.3
69.17946	1.9
71.04981	6.7
78.16703	0.9
79.05492	8.7
80.99033	0.9
81.07055	10.7
83.04969	6.6
83.08613	3.1
85.02900	9.4
85.06535	9.0
91.05473	17.2
93.07037	13.2
94.07345	1.1
94.31133	0.9
95.04963	9.0
95.08607	12.3
97.02888	0.9
97.06535	13.6
99.04444	2.7
99.55772	1.0
103.05460	2.0
105.07029	27.9
107.04877	1.2
107.08601	23.3
109.06515	61.0
109.10155	9.9
111.08074	40.3
115.05479	1.9
116.06213	1.6
117.07001	4.3
118.04157	2.1
119.04947	2.6
119.08577	38.2
121.06503	6.6
121.10137	22.3
122.07320	2.4
123.04424	1.8
123.07168	1.9
123.08060	22.4
123.11674	8.0
125.06018	2.0
125.09662	1.1
128.06200	2.6
129.06960	2.1
130.07784	1.1
131.04927	1.2
131.08571	5.3
133.06503	7.1
133.10126	30.5
135.08037	9.6
135.11655	4.5
137.05986	2.9
137.09605	20.8
137.13240	4.3
143.08569	5.4
145.06459	3.0
145.10115	9.2
146.07234	3.2
146.10857	1.7
147.04337	3.0
147.08046	12.2
147.11682	29.3
148.05196	1.3
149.02277	1.1
149.05939	1.7
149.09608	42.1
150.10010	1.0
151.07538	27.5
151.08768	1.3
151.11156	1.8
152.08290	3.4
153.09073	5.1
156.09329	10.5
159.08057	6.5
159.11673	1.3
160.08826	2.5
161.05978	26.8
161.09619	14.4
161.13229	14.9
163.07506	1.5
163.11172	19.3
164.04750	1.3
164.08304	4.9
164.11746	1.0
165.09113	77.2
165.12741	15.9
166.09425	1.9
169.08595	1.3
171.11702	12.3
172.12032	1.0
174.06891	1.0
174.10397	14.8
175.03964	1.3
175.07494	1.3
176.08339	26.7
177.05518	2.2
177.08885	2.2
179.06938	2.4
179.10623	2.7
179.14319	2.4
189.09096	4.0
189.12743	36.3
189.16396	1.7
190.13057	2.0
192.07785	2.5
192.11407	3.7
207.06519	3.7
207.10262	16.7
207.13797	100.0
207.17256	3.0
208.14157	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03936	1.0
55.02219	0.7
55.05501	1.1
57.07061	1.7
65.03941	1.5
66.99706	0.7
67.05507	6.3
69.03416	1.5
69.07051	2.6
69.46584	2.6
69.46996	2.2
79.05479	3.4
81.07053	18.0
83.05013	1.0
85.02905	100.0
86.03221	2.1
91.05483	15.3
93.07052	5.4
95.04975	1.5
95.08628	7.5
98.35567	0.7
101.38001	0.7
103.05442	1.1
105.07041	7.1
107.08587	7.2
109.06499	2.1
109.10149	14.8
111.04427	1.7
118.04221	0.8
119.04946	9.5
119.08564	7.3
121.06475	1.7
121.10138	11.3
123.08061	4.4
123.11707	62.5
124.12066	2.2
125.05988	11.0
129.06908	0.9
131.08542	3.7
132.02045	1.1
133.10130	0.9
141.05482	0.9
142.27225	0.9
145.10129	3.7
146.10852	0.9
147.04436	7.0
147.07988	3.9
147.11681	9.4
149.02271	1.1
149.09608	18.4
151.07538	3.6
156.09401	1.6
157.03944	1.2
161.13249	2.4
165.12746	2.5
169.08440	0.7
171.11563	1.0
174.10390	1.3
175.03857	6.5
189.12759	9.1
192.04247	3.8
207.06538	4.6
207.13800	39.5
208.14102	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03944	3.0
55.01866	2.2
55.05511	8.6
57.03414	2.1
57.07058	2.5
59.04995	2.5
59.98448	1.2
61.58484	1.4
67.05508	9.0
69.03429	12.0
69.07068	4.7
69.15742	10.0
71.04976	3.7
79.05496	17.8
81.03423	1.5
81.07053	18.4
83.04976	7.6
83.08625	1.9
84.21573	1.3
85.02901	5.9
85.06551	7.0
91.05480	37.6
93.07047	21.9
95.04946	6.9
95.08612	11.4
97.06524	2.4
103.05471	4.3
105.07030	67.2
105.29466	1.4
107.04961	11.9
107.08591	23.3
109.06521	24.6
109.10155	4.5
115.05459	2.3
116.06273	2.9
117.07021	8.9
118.04143	2.7
119.04927	5.9
119.08584	73.4
120.08794	2.1
121.06492	6.0
121.09292	2.7
121.10139	37.2
123.04456	1.6
123.08064	23.2
123.11673	6.9
125.09736	1.4
128.06226	10.3
129.07021	12.1
130.07802	7.9
131.04889	5.2
131.08577	27.4
132.09288	1.7
133.06522	6.7
133.10132	15.7
135.08038	3.5
135.11681	2.2
137.05850	1.3
137.09608	8.3
137.13219	1.8
141.06990	5.4
142.07771	2.1
143.08575	13.4
145.06497	6.1
145.10120	24.0
146.03648	1.7
146.07307	6.4
146.10913	7.4
147.04422	1.9
147.08063	20.3
147.11690	81.8
148.05202	4.6
148.08904	1.5
148.11995	2.6
149.09618	36.6
151.07526	12.7
155.08519	2.2
156.09331	26.7
157.06393	2.1
159.08052	8.8
159.11679	3.2
160.08815	5.5
161.05980	94.8
161.09605	32.5
161.13229	15.6
162.06371	2.7
163.11176	19.4
165.12761	7.4
171.11699	12.2
173.09584	2.2
174.06821	3.2
174.10399	16.4
175.04001	1.8
179.14427	1.2
187.11203	2.2
189.09111	24.2
189.12744	74.3
190.13144	2.5
207.06462	2.4
207.10178	6.3
207.13797	100.0
208.14203	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03944	1.1
55.01891	0.8
55.05505	6.3
56.03604	0.7
57.02765	0.7
57.03453	1.0
57.07082	3.6
59.05012	1.6
65.03952	1.8
67.05505	34.2
69.01852	0.8
69.03439	4.5
69.07056	2.9
70.67406	1.4
71.04978	2.4
73.59385	0.6
74.59718	0.8
79.05480	5.5
81.07059	7.2
81.53619	0.7
83.04976	3.8
83.08626	1.2
85.02903	3.5
85.06541	8.7
91.05478	9.9
93.07038	16.6
95.04980	4.1
95.08606	100.0
96.08938	2.1
97.06528	2.0
103.05437	0.8
105.07031	18.2
107.04970	1.2
107.08597	18.7
109.06496	4.9
109.10169	4.4
111.08079	1.2
113.06028	3.6
116.83978	0.7
117.06995	2.7
119.08578	28.4
120.09379	1.0
121.05756	0.7
121.06487	4.1
121.10141	15.5
123.08070	60.4
123.11704	9.2
124.08399	1.9
125.09595	1.2
131.08583	4.1
133.06523	1.7
133.10127	6.3
135.08055	2.8
135.11673	3.4
137.09573	4.2
137.13269	1.8
139.07558	2.1
143.08569	2.1
145.10098	1.9
146.10974	0.8
147.08072	6.2
147.11691	13.9
149.09616	31.6
150.09938	1.3
151.07536	2.1
151.14874	4.8
153.09169	1.0
156.09355	2.8
159.08014	2.4
159.11676	0.9
160.08858	1.1
161.05956	1.7
161.09601	1.9
161.13260	17.1
162.13614	0.8
163.11160	2.3
165.09111	1.2
165.12784	10.9
171.11684	3.9
174.10390	3.5
179.14291	2.3
189.12741	16.4
207.13792	28.5
208.14091	1.8
210.42061	0.7
216.81190	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03940	1.0
54.37568	0.6
55.01872	0.8
55.05505	5.0
55.80624	0.6
57.03426	1.0
57.07067	1.0
59.05001	2.4
65.03943	2.3
67.05508	6.9
69.03432	4.9
69.07063	2.5
70.49380	1.0
70.49736	1.5
71.04996	4.2
77.03939	1.0
79.05491	5.9
81.07063	7.0
81.10250	0.6
83.04980	3.7
83.08636	0.9
85.02907	7.9
85.06546	1.3
91.05479	16.6
93.07051	10.7
95.04988	2.6
95.08611	17.0
95.09232	0.9
97.06530	2.2
103.05443	1.3
105.07028	16.0
107.04919	1.3
107.08599	15.8
109.06519	8.5
109.10159	3.1
111.08102	1.5
115.05441	1.0
117.07063	1.5
118.04153	1.2
119.04932	8.5
119.08594	14.8
120.08916	0.7
120.56328	0.8
121.06514	4.6
121.08398	0.8
121.10144	13.9
122.10477	0.8
123.04430	1.3
123.08068	20.0
123.08933	1.2
123.11694	6.4
125.05970	1.6
128.06197	1.5
129.07010	2.2
131.04913	0.8
131.08537	3.7
133.06474	3.9
133.10147	5.1
135.08057	2.6
137.05934	1.0
137.09610	4.5
137.13234	1.6
139.07574	1.1
141.06934	1.0
143.08566	3.0
145.10136	4.1
146.07251	1.5
147.04431	6.5
147.08064	5.7
147.11694	11.7
149.02353	1.4
149.09619	100.0
150.09972	2.4
151.06516	0.8
151.07550	4.7
156.09366	4.8
157.04037	0.9
159.08069	1.6
161.05991	12.8
161.09586	6.1
161.13255	14.1
163.07465	0.9
163.11211	4.5
165.09109	0.9
165.12729	7.2
171.11664	7.3
174.10406	3.4
175.03912	5.3
179.07051	1.2
179.14319	1.9
189.09180	4.4
189.12762	23.3
190.13112	1.8
192.04158	2.9
200.84262	0.8
207.06512	5.9
207.10220	2.8
207.13805	61.3
208.14116	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02385	0.7
53.03938	3.2
55.01871	0.9
55.05512	13.2
57.07077	1.2
59.05007	1.8
62.66823	0.6
65.03908	0.6
67.05511	2.4
68.99775	0.6
69.03432	30.5
69.07092	0.7
69.50999	2.1
69.51405	1.1
71.04993	1.3
73.48685	0.5
77.03935	0.7
79.01885	1.3
79.05494	6.3
81.07063	3.2
83.04993	2.0
91.05485	15.4
92.05789	0.6
93.03425	1.2
93.07037	7.1
95.04981	2.7
95.08596	5.4
97.06527	0.6
103.05466	4.3
105.04540	1.1
105.07030	16.8
107.04964	5.6
107.08591	6.0
108.05751	1.7
109.06522	6.7
109.10201	0.7
115.05482	2.5
116.06208	1.0
117.07031	2.5
118.04185	1.8
119.04999	2.8
119.08578	11.6
120.04493	1.6
120.09368	0.9
121.06506	72.2
121.10114	4.4
122.06791	1.3
123.04500	0.7
123.08064	16.6
123.32716	0.6
128.06256	1.9
128.74960	0.5
129.07010	5.2
130.07793	2.6
131.04918	3.5
131.08554	2.4
133.06499	31.4
133.07492	1.3
133.10132	4.0
134.06877	1.2
135.08046	7.7
135.11694	2.2
137.09616	2.1
138.53387	0.5
145.06482	1.5
145.10114	3.3
146.03604	1.7
146.07262	4.1
147.04419	1.6
147.08052	2.9
147.11667	2.8
148.05193	2.6
148.08847	1.3
149.09612	4.8
151.07549	3.9
156.09380	1.0
157.06522	1.6
159.08081	0.8
161.05983	63.2
161.09612	14.9
161.13257	2.6
162.06328	1.8
162.10068	0.6
163.11183	100.0
164.04723	0.6
164.11528	3.3
165.09167	0.9
165.12770	2.0
171.11684	0.9
174.06712	2.2
174.10420	1.3
179.07008	0.7
179.10735	0.6
180.77745	0.6
189.09126	15.9
189.12726	8.3
189.16379	0.8
190.04929	4.2
190.09561	1.0
207.06500	2.6
207.10172	3.3
207.13795	27.0
208.14165	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	2.1
53.03945	5.4
55.01865	4.1
55.05514	16.2
57.03436	4.8
57.07072	10.8
57.83658	2.1
59.04973	2.9
65.03943	4.0
65.53570	1.7
67.05175	3.0
67.05504	39.9
69.03419	3.1
69.07071	48.2
71.04987	3.2
71.08631	2.4
79.05498	30.7
81.03407	2.1
81.07056	74.4
83.04966	6.1
83.08614	27.2
85.02870	2.1
85.06509	3.7
91.05480	63.3
93.03414	2.2
93.07040	55.7
95.04956	11.3
95.08605	87.1
97.06525	14.6
97.10144	8.1
99.08111	2.0
99.20367	1.8
103.05451	3.8
105.04502	1.7
105.07028	73.1
107.04928	5.1
107.08598	42.1
108.05709	3.0
109.02871	4.6
109.06497	7.5
109.10154	68.0
111.08078	5.3
111.11657	2.6
117.06998	4.0
118.04144	2.5
119.04942	22.6
119.08575	57.9
121.06467	4.1
121.10150	26.2
123.04398	5.3
123.08082	10.5
123.11706	24.9
125.09650	3.0
127.11209	2.4
129.06950	3.1
131.08545	4.4
133.06480	3.9
133.10129	83.5
134.03601	2.3
135.11690	15.5
136.05161	10.0
137.05948	3.2
137.09607	6.2
137.13223	4.9
138.00812	1.8
139.11191	5.2
142.14885	1.7
145.10121	5.0
146.03621	5.4
147.04431	17.0
147.07997	2.8
147.11696	59.1
149.02341	14.9
149.09576	4.5
149.13269	19.1
151.07526	10.3
151.11169	14.0
161.05989	4.5
161.09616	6.6
161.13272	18.7
161.66338	1.8
162.13542	2.1
163.03906	3.8
163.14839	6.2
164.04669	21.4
165.09134	2.0
165.12776	4.0
171.11693	5.0
174.03113	5.1
175.03931	4.8
177.05505	2.5
179.07080	17.9
179.08485	4.1
189.05479	1.8
189.09079	4.0
189.12779	3.3
189.16389	98.3
190.05031	1.9
190.16714	5.6
191.03461	2.2
192.04121	7.3
192.09274	5.8
207.04698	3.5
207.06512	36.1
207.10020	6.7
207.11722	5.9
207.13840	9.5
207.17435	100.0
208.17842	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
51.02361	2.1
53.03945	5.4
55.01865	4.1
55.05514	16.2
57.03436	4.8
57.07072	10.8
57.83658	2.1
59.04973	2.9
65.03943	4.0
65.53570	1.7
67.05175	3.0
67.05504	39.9
69.03419	3.1
69.07071	48.2
71.04987	3.2
71.08631	2.4
79.05498	30.7
81.03407	2.1
81.07056	74.4
83.04966	6.1
83.08614	27.2
85.02870	2.1
85.06509	3.7
91.05480	63.3
93.03414	2.2
93.07040	55.7
95.04956	11.3
95.08605	87.1
97.06525	14.6
97.10144	8.1
99.08111	2.0
99.20367	1.8
103.05451	3.8
105.04502	1.7
105.07028	73.1
107.04928	5.1
107.08598	42.1
108.05709	3.0
109.02871	4.6
109.06497	7.5
109.10154	68.0
111.08078	5.3
111.11657	2.6
117.06998	4.0
118.04144	2.5
119.04942	22.6
119.08575	57.9
121.06467	4.1
121.10150	26.2
123.04398	5.3
123.08082	10.5
123.11706	24.9
125.09650	3.0
127.11209	2.4
129.06950	3.1
131.08545	4.4
133.06480	3.9
133.10129	83.5
134.03601	2.3
135.11690	15.5
136.05161	10.0
137.05948	3.2
137.09607	6.2
137.13223	4.9
138.00812	1.8
139.11191	5.2
142.14885	1.7
145.10121	5.0
146.03621	5.4
147.04431	17.0
147.07997	2.8
147.11696	59.1
149.02341	14.9
149.09576	4.5
149.13269	19.1
151.07526	10.3
151.11169	14.0
161.05989	4.5
161.09616	6.6
161.13272	18.7
161.66338	1.8
162.13542	2.1
163.03906	3.8
163.14839	6.2
164.04669	21.4
165.09134	2.0
165.12776	4.0
171.11693	5.0
174.03113	5.1
175.03931	4.8
177.05505	2.5
179.07080	17.9
179.08485	4.1
189.05479	1.8
189.09079	4.0
189.12779	3.3
189.16389	98.3
190.05031	1.9
190.16714	5.6
191.03461	2.2
192.04121	7.3
192.09274	5.8
207.04698	3.5
207.06512	36.1
207.10020	6.7
207.11722	5.9
207.13840	9.5
207.17435	100.0
208.17842	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03943	4.6
53.73771	1.7
55.01849	4.2
55.05509	16.6
57.03423	7.3
57.07071	8.9
65.03942	4.5
67.05507	27.2
69.03434	2.1
69.07066	25.0
70.50372	5.1
71.04984	4.1
71.08623	2.4
79.05495	21.6
81.07059	58.8
83.04981	4.7
83.08618	13.6
85.06561	4.3
91.05481	50.2
93.07048	36.8
95.04967	7.8
95.08605	79.3
97.06512	12.2
97.10172	5.4
103.05460	5.1
104.88008	1.9
105.03424	2.1
105.07033	65.9
107.08590	41.3
108.05802	3.2
109.06517	6.1
109.10155	75.6
110.10523	2.8
111.08076	7.6
117.07079	2.8
118.04149	2.5
119.04945	24.1
119.08587	60.7
120.08883	2.7
121.06511	3.6
121.10145	18.6
123.04415	4.3
123.08068	12.7
123.11708	21.8
125.09626	5.0
131.08568	5.4
133.06454	4.8
133.10129	77.6
134.10506	3.6
135.11722	23.9
136.05165	10.3
137.09618	6.9
137.13249	10.4
145.10130	5.2
146.03604	8.9
146.10892	2.2
147.04387	16.3
147.08049	4.5
147.11688	53.1
149.02338	20.2
149.05940	2.4
149.09702	2.8
149.13269	12.4
151.07506	11.2
151.11195	7.2
161.05983	4.9
161.09616	5.4
161.13263	27.6
163.03893	8.2
163.14813	2.4
164.04681	27.1
165.12773	3.9
174.03149	7.4
175.03885	3.2
177.05452	2.1
179.07019	23.0
179.08478	3.4
189.09079	2.5
189.16379	100.0
191.03355	2.1
192.04178	10.9
192.05716	2.1
192.09344	7.7
207.06514	51.7
207.07928	2.9
207.09894	3.4
207.10567	2.2
207.11713	9.9
207.13838	5.2
207.17451	80.7
208.06828	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0968
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
53.03949	2.2
53.47523	0.8
54.44807	0.9
55.01868	2.5
55.05512	3.0
57.03429	1.1
60.04525	57.0
65.03948	1.5
67.05493	1.5
68.54769	0.9
69.03428	1.1
69.04674	8.9
69.05085	1.3
69.07063	2.2
71.04980	2.5
79.05490	33.0
81.07069	2.5
83.04995	2.1
90.14262	0.9
91.05479	7.6
92.05818	8.7
93.07040	8.4
95.04965	9.5
95.08607	1.5
97.06484	1.9
98.22604	1.3
99.04465	1.9
103.05476	11.1
105.07017	4.9
106.04206	1.2
106.06554	50.3
107.04951	100.0
107.08595	7.6
108.05313	2.4
109.06519	4.7
109.10155	1.8
111.08092	1.6
119.04945	3.3
119.08586	3.7
120.05271	7.9
121.06491	4.4
121.10152	18.5
125.06023	1.1
131.04926	36.3
131.05908	1.8
131.08554	4.4
133.10139	2.1
134.06036	1.5
135.08107	1.9
135.11725	1.1
137.34221	0.9
139.03915	1.0
145.10156	1.7
147.04378	1.0
148.04724	5.3
148.07558	22.1
148.08656	1.5
148.12051	1.4
149.05962	8.8
149.09563	4.6
151.11253	2.1
153.01840	6.9
153.05452	2.4
153.09117	4.1
162.05399	1.9
162.13589	1.0
163.03914	2.3
163.11189	1.2
163.14853	2.5
167.07022	9.7
174.40681	1.2
175.04047	1.0
176.04254	8.9
177.05534	2.2
181.04976	5.5
190.08575	2.2
190.13153	1.1
191.05241	1.0
191.10651	1.7
191.14310	4.4
193.04562	3.3
208.02913	2.4
208.06926	5.2
208.14020	1.7
209.04463	6.3
209.11786	2.6
209.15422	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0968
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
53.03945	1.3
54.85059	1.3
55.01853	1.3
55.05509	1.5
60.04524	61.5
69.20107	8.9
69.20515	2.0
71.04993	2.6
75.84735	1.4
78.55172	1.2
79.05492	31.6
81.07057	3.7
83.04981	2.1
86.58405	1.2
91.05508	3.5
93.07034	4.7
95.04967	1.6
103.05473	10.8
105.07032	5.1
105.85410	1.3
106.06555	50.4
106.07253	1.7
106.36848	1.2
107.04951	100.0
107.08591	8.8
108.05292	2.9
109.06520	1.8
109.10155	2.8
119.04445	1.3
119.08673	1.4
120.08942	1.2
121.06493	3.5
121.10133	6.4
123.08016	1.3
130.07332	2.5
131.04927	44.1
131.08578	3.9
132.05270	3.6
134.06010	1.6
135.08052	2.1
135.11717	1.3
145.10114	3.1
147.07564	2.8
148.07550	28.0
148.08646	1.8
148.11971	1.6
149.06013	6.1
149.09619	7.4
149.13254	2.0
150.09949	3.7
161.05978	7.9
162.06354	35.9
162.09961	11.8
163.11197	3.1
173.13240	2.3
175.08588	1.3
180.60362	1.2
190.09557	10.2
190.13036	1.6
191.05273	1.7
191.06931	1.6
191.10728	2.1
191.14351	2.8
204.41684	1.2
208.10712	1.4
208.14154	4.6
209.11719	2.2
209.15375	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02366	0.7
53.03940	3.2
55.01876	3.7
55.05494	2.2
59.84486	0.6
63.03809	0.6
63.50675	0.6
67.05484	1.1
67.23963	0.5
69.03468	0.8
69.07065	0.8
69.75728	1.1
70.06586	1.3
77.03931	1.3
78.04666	1.2
79.05508	4.1
81.07062	0.6
83.04964	1.6
83.08626	0.7
89.03930	9.1
89.99124	0.6
91.05485	18.1
91.76696	0.6
93.07048	8.7
95.04977	4.6
97.06535	1.0
97.10122	0.7
103.05474	25.6
105.03390	1.7
105.04482	1.5
105.07039	1.4
106.04188	3.7
107.04964	12.3
107.08575	1.7
109.06506	1.1
117.03381	10.2
117.07073	0.8
118.04155	2.4
119.04956	10.6
120.05683	2.7
121.06509	29.2
121.10165	1.5
122.06058	0.9
123.04455	0.8
131.04935	37.7
133.02837	0.9
134.03639	12.9
135.04451	4.7
137.05957	0.9
145.02856	6.2
146.03702	0.7
147.04422	7.1
148.05194	17.3
149.05988	48.6
150.05435	0.8
150.06476	0.7
151.03903	1.3
151.11179	1.3
159.03160	1.2
159.04416	18.4
160.04662	0.8
162.03123	2.7
163.03903	5.2
163.07570	4.6
164.10701	1.4
165.05493	1.4
166.06247	2.1
167.06998	1.7
167.14365	1.6
176.04678	10.2
177.05475	100.0
178.05887	4.2
179.03360	1.0
181.08533	1.1
191.07018	8.7
191.14320	1.0
192.06650	0.7
194.05769	9.3
209.08105	46.0
209.15373	2.7
210.08363	0.9
215.47389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0922
Annotation	Formyl-5-hydroxykynurenamine
Peak:m/z	Relative Intensity
55.01673	0.7
55.01878	7.0
55.05512	1.0
57.07070	0.8
58.35859	0.7
64.57538	0.6
65.03941	1.0
70.06579	1.0
79.05469	2.2
80.67696	0.7
81.07033	0.8
83.04971	1.0
84.08156	0.9
89.03906	1.1
91.05486	4.2
93.07041	1.5
95.05010	0.7
95.08612	1.2
103.05479	3.8
106.06564	2.2
107.04958	2.8
107.08598	1.2
108.08115	1.4
109.02832	0.6
109.06542	0.8
110.06047	69.8
111.04477	0.8
111.06367	1.2
111.08044	1.0
111.57112	0.6
118.06544	2.6
119.01936	0.8
119.04935	0.9
121.06484	2.6
121.10162	0.7
122.06037	54.4
123.06456	0.9
131.04942	5.2
134.03667	1.0
134.06029	13.9
135.04442	1.4
136.07571	3.9
137.05905	0.9
138.05449	0.7
144.05554	1.1
145.02843	1.0
146.06013	30.3
147.04462	0.9
148.05215	2.0
149.05981	4.9
150.05501	2.2
152.07076	100.0
153.07382	2.0
153.08978	0.8
159.04414	1.1
162.05489	9.3
163.03934	1.9
163.07561	2.1
163.08717	1.7
164.07076	66.7
165.07446	1.4
173.07167	1.2
174.05507	2.4
177.05464	8.1
180.06555	9.0
185.02878	1.0
186.06105	1.1
187.04514	1.0
191.08275	0.8
192.06551	19.6
193.06895	1.3
202.81555	0.7
204.07295	0.7
209.04663	0.9
209.07840	2.0
209.09270	4.6
209.13457	1.1
209.15382	4.3
209.19025	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	CHEBI:69696
Peak:m/z	Relative Intensity
51.02383	1.3
51.26941	0.7
53.03937	2.5
55.01870	5.6
55.05510	8.9
57.03434	1.1
57.07066	1.9
61.74241	0.6
64.47456	0.6
65.03938	3.7
67.05504	4.9
68.99789	0.7
69.03419	3.1
69.07081	3.8
70.92256	0.8
70.92616	0.9
71.05001	3.9
77.03912	1.5
78.04716	7.9
79.05491	21.7
81.03426	1.4
81.07053	4.7
83.04978	9.6
83.08621	4.4
85.02887	1.1
85.06568	1.0
91.05481	35.0
92.06260	0.7
92.78141	0.8
93.03403	1.4
93.07037	11.5
95.04967	13.4
95.08612	2.4
96.30520	0.6
97.06516	3.0
97.10164	1.2
99.04449	1.5
103.05474	8.7
104.06263	7.6
105.03383	4.3
105.04499	1.6
105.07030	45.7
106.04181	8.9
106.07349	0.9
107.04955	53.5
107.08594	11.4
109.06508	8.7
109.10166	3.4
109.44525	0.7
110.03638	1.3
111.04430	1.5
111.08089	1.6
115.05459	11.7
116.06271	3.3
117.07027	8.9
119.04930	5.0
119.08607	3.3
120.05717	2.3
121.02934	1.4
121.06509	14.6
121.10143	10.3
122.03650	1.6
122.07333	3.6
123.04435	7.4
123.08078	2.6
123.11707	1.5
124.05199	2.1
125.06017	1.5
125.09635	2.8
128.06206	1.9
129.07013	2.0
131.04930	11.7
131.08565	14.5
132.05757	6.2
133.02905	1.7
133.06491	34.3
133.10127	6.3
134.03653	1.4
134.05997	2.2
135.04414	100.0
135.08044	17.8
135.11696	2.3
136.05199	66.2
137.06004	11.3
137.09598	0.9
139.07542	1.7
141.06970	0.8
143.08572	1.4
145.06485	2.1
145.10182	3.8
146.06044	0.8
146.07204	1.4
147.04373	1.1
147.08060	8.4
147.11678	1.4
148.05174	2.0
148.08827	22.5
149.05977	14.2
149.09633	7.7
149.13226	2.0
150.05632	1.2
150.06763	11.8
151.03929	2.4
151.07559	7.0
151.11160	5.1
153.01813	2.4
153.05479	1.4
153.09048	4.0
158.07278	5.2
159.08052	2.7
161.06023	3.7
161.09604	4.1
161.13226	0.8
162.05489	3.6
162.06766	7.8
163.03897	5.8
163.07541	61.5
163.11147	4.2
163.14825	1.7
164.07886	2.2
165.05487	0.9
165.09123	3.0
166.02550	0.7
166.06264	7.9
167.07043	17.4
167.14319	5.4
173.09610	3.3
173.13338	1.7
177.05498	2.6
178.06265	13.9
179.03455	4.2
179.07013	12.4
179.08467	1.1
180.07817	40.5
181.04973	13.8
181.06473	1.0
181.08589	5.2
191.10678	15.3
191.14299	3.7
192.11267	0.9
194.02153	3.7
194.05777	10.9
194.09354	10.7
195.06082	0.8
209.04465	7.2
209.08015	11.3
209.11705	17.4
209.15291	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	3,8-Dihydroxy-1,2,4-trimethoxyxanthone
Peak:m/z	Relative Intensity
55.01836	1.6
55.05487	2.2
57.03437	1.2
65.03915	1.2
67.05481	4.2
69.07053	2.6
78.04692	1.0
79.05478	6.2
80.05044	0.9
81.07018	4.1
83.04967	1.1
83.08559	1.0
91.04966	1.3
91.05481	16.0
93.03384	3.0
93.07043	8.0
95.04939	3.6
95.08599	6.1
98.23360	2.2
101.66185	1.0
103.05466	6.4
105.03388	1.3
105.07026	7.1
106.04098	1.6
107.04282	1.3
107.04948	17.9
107.08595	7.6
108.05698	1.6
109.02753	1.0
109.06480	3.6
109.10136	1.6
111.04399	2.5
111.08061	1.7
115.05440	3.2
117.07012	5.6
119.04960	12.3
119.08537	3.1
121.02853	1.5
121.06499	18.2
121.10102	2.2
123.04411	4.8
123.08028	3.8
123.11686	1.4
125.05946	4.1
131.04915	5.2
132.05618	1.4
133.02805	6.1
133.06514	6.1
134.07202	2.9
135.04387	2.9
135.08055	18.7
136.05190	8.5
137.05969	5.2
138.06711	4.1
139.07526	2.0
145.06425	2.4
146.07265	5.5
147.04405	19.2
147.08025	13.9
148.05191	9.6
149.05977	10.1
149.09552	4.3
149.13217	3.9
151.03856	2.7
151.07530	26.9
152.08180	1.3
153.05457	18.5
153.06721	2.0
153.09065	3.4
154.06168	3.0
161.05956	5.9
162.06752	16.0
163.06256	1.9
163.07542	29.6
164.08269	2.8
165.05437	14.9
165.06926	3.3
165.09059	2.4
166.06277	21.4
166.07721	3.4
167.08528	2.3
168.07820	31.8
169.08501	1.3
177.09113	15.1
178.09889	63.8
179.07054	32.9
179.08513	5.7
179.10497	4.6
180.07327	1.1
180.31013	1.1
181.08597	86.1
181.10040	3.9
182.08910	2.4
190.07814	1.1
191.10727	1.1
191.14214	1.4
194.07401	2.9
194.09369	69.2
194.10887	4.5
209.09593	10.9
209.11662	100.0
209.13269	7.5
209.15201	4.3
210.11943	2.8
227.88000	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	3,8-Dihydroxy-1,2,4-trimethoxyxanthone
Peak:m/z	Relative Intensity
51.50767	1.3
54.21141	1.1
55.01860	2.1
55.05489	1.4
57.07056	2.5
59.86478	1.1
62.31028	1.3
67.05479	2.1
69.07055	2.8
69.19066	10.5
70.06588	1.4
71.04976	1.2
75.93169	1.2
76.69015	1.2
79.05495	5.1
81.07037	2.5
83.04982	1.2
91.05479	12.1
93.07019	4.9
95.04977	1.6
95.08614	2.5
97.06516	2.4
103.05445	5.0
105.07010	5.0
107.04960	12.8
107.08598	3.8
109.06506	2.8
109.10172	1.3
110.03656	1.4
111.04444	1.4
115.05434	5.2
117.06975	4.7
119.04937	11.2
119.08564	3.0
121.06510	16.5
121.10141	1.7
123.04400	3.4
123.08047	4.6
125.06028	2.8
131.04935	5.9
133.02856	6.6
133.06523	5.8
134.07269	3.1
135.04372	1.4
135.08052	16.0
136.05190	7.6
137.05943	4.5
138.06721	2.0
139.07465	1.7
145.06471	3.1
146.07224	5.7
147.04404	17.6
147.08047	12.3
148.05219	8.2
149.06017	8.9
149.09579	4.9
151.03844	2.8
151.07539	23.3
152.08310	1.3
153.05466	15.8
153.06693	1.9
153.09108	1.9
154.06226	3.2
161.05930	4.9
162.06778	13.2
163.06248	1.6
163.07545	26.7
163.11179	1.3
163.14900	1.5
164.08398	1.8
165.05438	14.1
165.06836	3.8
165.09058	1.4
166.06268	23.2
166.07657	2.9
167.08530	1.7
168.07820	32.7
169.08588	2.4
176.08270	1.2
177.09113	15.3
178.09892	52.1
179.06995	29.5
179.08545	5.5
179.10483	4.2
180.09222	1.6
181.08597	74.6
181.10025	2.9
191.10614	2.2
191.14262	1.2
193.99001	1.3
194.09372	59.8
194.10924	3.9
209.09686	6.8
209.11685	100.0
209.13229	7.0
209.15314	14.1
210.11949	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	Morinin G
Peak:m/z	Relative Intensity
53.03939	3.2
55.01869	2.6
55.05494	3.7
57.03442	1.6
65.03931	3.1
65.04250	1.0
67.05515	5.4
69.03410	1.3
69.07053	1.6
71.04972	2.2
71.30089	1.0
71.30483	1.1
75.04458	2.9
77.03895	1.0
78.04723	1.1
79.05492	7.1
81.03413	1.7
81.07060	5.1
83.04955	3.3
91.05482	28.6
93.03391	1.6
93.07050	8.8
95.04980	6.5
95.08617	5.8
97.02872	2.3
97.06502	2.2
99.04440	1.3
103.05473	12.1
104.06244	1.4
105.03389	1.5
105.07029	9.9
106.04150	3.9
107.04283	2.0
107.04958	26.1
107.08575	4.5
108.05765	1.6
109.06494	4.8
109.10142	2.0
111.04449	2.5
111.08112	1.2
115.05471	6.8
116.06219	1.6
117.07013	11.0
119.04962	18.0
119.08566	4.4
120.05717	1.1
121.06509	45.3
121.10119	3.4
123.04411	7.2
123.08068	7.4
124.05209	17.8
125.05935	2.2
125.09594	1.3
129.06956	1.2
131.04918	7.4
131.08589	2.4
132.05681	1.7
133.02832	6.4
133.06509	9.6
133.10123	1.5
134.07289	5.3
135.04381	3.1
135.08046	33.4
135.11671	2.8
135.37640	1.1
136.05191	11.1
136.08765	1.8
137.06017	6.1
138.06718	4.3
139.03914	1.1
139.07541	13.4
144.05696	1.4
145.06572	5.1
145.07550	1.9
145.10066	1.4
146.07262	11.0
147.04404	25.7
147.08046	21.6
148.05148	3.3
148.08818	2.5
149.05971	19.8
149.09619	14.4
149.13295	1.7
151.03920	2.4
151.07545	47.8
151.11171	1.5
152.08266	4.4
153.05495	5.0
153.09052	2.9
154.06186	1.5
155.05905	1.3
161.06013	6.4
161.25291	1.0
162.06755	32.3
163.07541	40.4
163.11189	1.9
164.08282	3.3
165.05496	15.5
165.06851	2.2
165.08995	1.3
165.51265	1.1
166.06279	21.7
166.07639	1.8
166.09854	1.8
167.08594	1.6
167.10634	1.5
168.07831	8.3
169.08475	1.3
176.08354	2.2
177.05521	2.6
177.09113	31.1
178.09892	99.0
179.07040	45.6
179.08513	3.8
179.10408	5.2
180.07372	1.5
180.09135	1.1
181.08603	63.0
181.10008	2.2
182.08862	1.7
191.07155	1.2
191.10674	1.2
191.14352	2.4
194.09384	100.0
195.09727	4.0
209.09714	4.7
209.11693	93.4
209.13257	6.2
209.15227	5.8
210.12161	2.9
224.82916	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
53.03934	6.6
55.01872	10.9
55.05513	15.0
57.03436	2.7
57.07058	2.9
59.05000	1.5
65.03936	9.3
66.96439	1.6
67.05504	40.4
69.03438	12.2
69.07074	8.3
69.65947	1.6
70.25323	5.4
70.25665	2.3
71.04997	12.7
75.04478	3.1
78.04704	5.1
79.05061	2.9
79.05495	43.4
81.03395	4.7
81.07059	30.8
83.04987	11.0
83.08607	2.2
85.02917	8.2
85.06538	10.9
91.05480	37.7
93.03429	9.5
93.07046	82.1
95.04974	47.6
95.08611	6.8
97.06552	10.3
99.04453	27.3
101.05994	1.6
103.05448	8.5
105.04520	2.3
105.07032	100.0
106.04179	25.2
106.07368	2.2
107.04934	5.6
107.08594	83.6
108.08887	1.7
109.06522	24.3
109.10118	3.7
111.08078	3.9
117.03375	2.5
117.07009	11.2
119.08583	47.4
121.05623	3.6
121.06507	55.1
121.10143	82.0
122.10477	2.1
123.04452	2.3
123.08059	6.1
125.06029	8.6
125.09641	2.8
127.07571	3.6
130.07782	6.7
131.04921	4.8
131.08569	10.0
133.06503	2.3
133.10138	3.2
134.03619	4.7
135.04459	2.2
135.08052	23.0
135.11694	25.9
137.05968	4.8
137.09650	2.1
139.07564	4.3
143.08551	3.4
145.02844	1.6
145.10136	62.1
146.10423	3.1
147.07977	2.2
147.11685	5.8
148.05145	2.8
149.05977	35.4
149.09599	17.6
149.13223	2.5
151.07538	5.0
151.11185	2.1
152.05940	1.5
153.05481	3.0
153.09085	5.9
155.08606	1.9
159.04419	2.9
163.11189	99.1
163.14857	3.2
164.11569	3.3
166.06302	3.3
166.10672	1.7
167.08514	1.8
167.14273	2.0
173.09615	9.2
177.05489	20.2
179.08369	2.0
181.06598	1.9
181.08553	7.8
181.12221	5.5
191.07001	2.7
191.10680	31.3
191.14297	3.0
194.05792	1.7
209.06209	3.0
209.08076	9.8
209.09799	2.7
209.11659	18.0
209.15375	11.4
209.20927	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03964	2.5
55.01877	3.5
55.05511	68.2
57.03427	3.6
57.07083	3.4
59.04996	4.7
61.22943	1.6
65.03970	2.0
66.80660	1.5
67.05502	12.2
69.03438	6.1
69.07066	10.9
69.61021	6.1
71.05000	6.6
78.34611	1.5
79.05478	13.4
80.24638	1.6
81.03416	2.2
81.07063	24.6
83.04981	100.0
83.08618	33.8
85.06541	5.0
91.05485	12.2
93.07045	32.5
93.96581	1.8
95.04967	42.4
95.08618	15.2
97.06538	7.4
97.10174	6.8
99.04466	5.6
99.08044	2.4
105.07064	9.1
107.08589	38.6
109.06522	27.8
109.10152	20.2
111.08076	14.3
119.08589	5.0
121.06505	2.2
121.10142	81.4
122.10474	2.7
123.08082	6.4
123.11697	8.4
125.09623	23.9
131.08563	3.0
133.10089	8.9
135.08067	3.8
135.11716	4.9
137.05986	2.9
139.07587	2.6
145.10124	1.7
145.38010	1.7
149.09613	2.7
149.13280	14.8
151.11183	28.9
153.09125	13.8
163.14815	18.0
167.14310	51.7
173.13269	4.5
181.15808	1.6
191.14278	11.8
209.15355	37.0
209.17262	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.04193	0.9
51.69486	1.2
52.84859	1.1
53.03949	2.2
55.01859	2.5
55.05513	35.1
57.03426	4.8
57.07077	7.6
59.04980	3.7
65.03931	2.0
67.05502	17.0
68.09661	1.1
68.99782	3.2
69.03427	28.0
69.06676	1.3
69.07069	24.2
69.38708	6.2
71.04991	7.7
79.05493	12.5
81.07059	21.8
83.04983	28.8
83.08621	12.9
85.02889	3.3
85.06544	11.5
86.60554	1.0
91.05480	10.3
93.07042	24.8
95.04970	29.7
95.08610	22.1
97.02879	1.3
97.06525	9.4
97.10174	23.2
99.04441	6.5
99.08084	15.1
101.06005	1.1
103.05451	1.7
105.07024	13.7
107.04935	1.3
107.07865	2.6
107.08591	50.7
108.08875	1.9
109.06517	18.9
109.10155	17.8
111.04412	1.9
111.08085	13.5
113.06004	10.9
119.06051	1.5
119.08601	5.9
121.06502	5.9
121.10142	42.5
123.08065	6.7
123.11697	8.5
125.05988	6.3
125.09628	100.0
125.13285	1.5
126.09966	2.7
127.07507	1.9
131.08557	8.6
133.10133	18.6
135.08049	15.4
135.11690	6.5
137.09599	7.9
139.07527	7.2
139.11177	5.6
143.08548	2.1
145.10124	3.3
147.08130	1.5
147.11684	4.6
149.09618	64.7
149.13235	19.0
150.09929	2.2
151.11176	44.0
152.11470	1.5
153.09106	34.2
154.09824	3.2
158.10895	3.3
163.11205	1.7
163.14816	16.3
165.12735	3.9
167.10674	4.4
167.14293	4.1
173.13229	12.7
174.13615	1.1
181.15825	1.8
191.12587	2.0
191.14313	38.7
209.15369	74.3
210.15709	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03943	4.5
55.01875	2.6
55.05510	100.0
57.02398	2.0
57.03428	6.4
57.07065	4.3
59.04992	3.9
65.72337	2.3
67.05505	11.9
67.60795	1.8
69.03436	12.3
69.06734	2.8
69.07069	34.3
69.12609	15.1
69.13018	4.1
71.04987	6.6
72.13956	2.1
79.05492	11.7
81.07050	20.5
83.04981	82.8
83.08613	26.2
85.06535	5.0
91.05485	12.4
93.07039	31.3
95.04967	30.0
95.08604	13.5
97.06523	33.7
97.10162	8.2
99.04445	8.2
99.08100	2.2
99.64371	1.9
100.93771	1.9
103.05503	3.5
105.07026	8.3
107.08587	45.9
109.06528	18.6
109.10162	21.5
111.08073	11.9
119.04921	3.0
119.08566	5.1
121.06490	2.9
121.09296	4.3
121.10143	74.3
123.08057	5.0
123.11719	11.7
125.09618	13.5
127.11197	12.5
131.04886	2.3
131.08548	6.1
133.10136	8.0
135.08049	6.5
135.11707	10.6
135.73401	2.1
136.07794	2.1
136.08868	3.0
139.07423	2.2
149.05998	4.0
149.09627	5.9
149.13216	11.9
149.89264	1.9
151.11180	29.4
153.01831	4.5
153.09109	11.5
163.11108	2.7
163.14825	18.5
167.14301	40.3
173.13281	5.7
177.05482	4.0
191.14290	30.7
209.04413	5.4
209.15363	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03950	6.3
55.01877	13.4
55.05512	74.7
57.03438	6.0
57.07079	6.5
59.04993	5.0
60.30365	1.9
65.03943	7.9
67.05502	16.2
69.03428	30.7
69.07069	11.8
71.05001	8.2
71.30544	2.6
75.04483	2.8
77.03906	2.3
78.04737	4.8
79.05499	25.9
80.05816	2.2
81.07063	24.3
83.04980	100.0
83.08620	47.6
85.02911	5.2
85.06557	7.3
85.76102	1.9
89.03927	3.7
91.05481	38.9
93.03410	9.0
93.07051	45.2
95.04970	74.2
95.08600	16.1
97.06531	20.5
97.10172	7.3
99.04462	14.1
99.08099	3.2
102.04716	2.5
103.05476	19.8
105.04537	2.6
105.07034	22.4
106.04190	24.9
107.04955	11.7
107.08592	51.3
107.09273	3.3
109.06520	49.5
109.10160	30.3
111.04475	2.4
111.08065	14.3
113.06011	2.5
117.03423	4.8
117.07005	3.5
118.28777	1.8
119.04956	4.6
119.08599	10.5
121.02867	4.0
121.06505	38.3
121.10145	93.2
123.08087	7.8
123.11674	13.0
125.06000	8.2
125.09636	21.1
127.07613	3.4
131.04936	20.1
131.08566	14.0
133.06509	3.1
133.10126	14.2
134.03670	11.2
134.06006	3.8
135.04459	6.1
135.08049	11.5
135.11745	10.6
137.05988	7.3
138.06798	2.5
139.07509	2.3
145.02892	3.8
145.10124	10.9
146.06061	2.3
148.05168	6.3
149.05994	47.6
149.09628	14.4
149.13258	11.5
150.06464	2.4
151.07573	3.8
151.11183	30.3
153.01845	4.2
153.05499	4.7
153.09093	23.7
159.04437	9.3
162.05524	9.0
163.03908	6.4
163.07581	7.7
163.11189	7.4
163.14842	15.8
164.07957	2.4
165.09035	2.5
166.06268	3.4
167.03453	2.1
167.07027	4.8
167.14320	65.1
173.13315	7.9
177.05478	52.7
179.08296	2.4
181.04962	7.6
181.06427	4.7
181.08620	8.0
191.07047	6.5
191.09055	2.8
191.10699	7.2
191.14290	20.4
192.07440	15.3
209.04474	8.2
209.06125	4.6
209.08011	25.4
209.09953	5.7
209.11765	9.1
209.15361	59.2
209.17268	3.8
219.00436	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.05509	27.8
57.07078	9.5
59.04995	5.2
67.05510	16.1
68.99784	4.8
69.03423	29.1
69.07065	17.9
71.02961	3.6
71.04975	4.5
75.53622	2.0
79.05490	16.2
81.07059	23.6
83.04975	24.9
83.08614	9.9
85.06542	8.4
91.05476	17.8
93.03370	2.2
93.07048	35.8
95.04967	8.4
95.08612	21.5
97.06513	6.8
97.10155	14.3
98.10456	1.7
99.08099	10.2
103.05422	2.5
105.07025	16.7
106.04151	4.0
107.04951	9.0
107.08596	68.0
109.06538	15.1
109.10172	18.4
111.04399	2.7
111.08065	12.3
113.05968	8.3
117.07005	5.2
119.08579	7.1
121.06514	8.8
121.10142	60.8
123.08065	7.1
123.11691	11.8
125.05968	6.6
125.09630	91.9
126.10007	1.9
127.07529	2.5
129.07034	2.1
131.08551	7.1
133.10123	18.8
135.08055	17.2
135.11685	8.2
137.09567	5.8
139.07561	11.7
139.11127	4.1
143.08548	2.2
145.10080	3.9
147.11652	6.3
148.05138	3.1
149.05952	3.5
149.09613	100.0
149.13266	22.9
151.11179	59.7
153.09102	27.5
154.09871	5.8
158.85469	1.8
163.14807	24.5
165.12778	9.3
167.07030	19.8
167.10661	4.9
173.13310	13.6
177.05507	2.4
177.09114	6.0
191.10722	2.2
191.14310	41.4
209.08121	6.1
209.13370	4.3
209.15358	82.0
210.15800	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01864	3.5
55.05509	29.1
57.03424	7.0
57.07063	4.8
59.04991	8.9
65.03902	2.0
67.05497	18.8
69.03433	19.2
69.07071	25.4
69.26472	4.8
69.26880	7.7
70.50433	2.3
71.04993	16.1
79.05496	16.0
81.07058	27.8
83.01343	16.1
83.04985	24.2
83.08627	11.7
85.02898	3.8
85.06528	8.3
91.05480	20.5
93.07046	41.4
95.04966	12.4
95.08604	39.4
95.48521	1.8
97.06528	22.3
97.10148	3.9
99.04458	9.9
99.08090	15.1
101.06020	5.0
105.07027	24.1
107.07851	3.9
107.08595	81.1
109.06520	18.4
109.10162	31.7
111.08074	19.8
111.43370	1.8
111.74254	1.9
113.06017	2.4
117.07040	3.2
119.08582	14.4
121.06508	8.2
121.10146	55.1
123.08070	14.2
123.11725	10.9
125.09629	24.4
126.01082	4.6
127.07539	3.2
131.08586	17.6
133.10139	39.7
135.08060	22.4
135.11690	27.9
137.09605	11.4
139.07549	17.0
139.11185	13.1
145.10136	9.5
147.11713	15.8
149.09612	23.3
149.12151	3.2
149.13268	45.6
151.11183	81.2
153.09090	15.6
158.10939	5.8
161.13260	6.2
163.11226	3.5
163.14828	28.1
165.12802	3.7
167.10680	3.4
167.14328	3.9
173.13275	39.9
179.14296	2.8
181.15855	6.1
191.10704	2.6
191.12570	4.6
191.14311	85.3
192.14542	3.3
209.15364	100.0
210.15712	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.68547	0.8
53.03941	1.5
55.01872	2.4
55.05504	5.6
57.03439	0.9
57.07080	11.6
57.29287	0.8
59.04996	1.6
65.03931	1.4
67.05503	9.6
69.03085	1.5
69.03431	19.3
69.07069	4.2
70.65154	2.0
71.04970	0.9
79.05492	5.0
81.07056	13.3
83.04983	13.1
83.08601	2.3
84.31986	0.9
85.06543	7.9
87.77885	0.8
91.05477	7.3
93.03382	1.4
93.06502	1.2
93.07034	8.6
95.04964	2.6
95.08603	9.1
97.06544	4.2
97.10097	1.1
103.05441	1.7
105.07021	6.7
106.04178	3.8
107.04927	1.3
107.08596	28.5
109.06516	10.0
109.10145	5.1
111.04410	1.4
111.08094	8.0
117.06979	1.7
119.04893	0.9
119.06017	1.0
119.08581	5.5
121.06513	5.7
121.10144	12.3
123.08073	5.9
123.11708	5.4
125.06066	1.3
125.09628	63.1
126.09957	2.1
127.07497	0.8
129.06932	0.8
131.08574	7.0
133.10127	7.8
135.08051	13.9
135.11707	5.7
137.09573	2.0
143.08545	2.5
145.10115	3.7
147.11642	5.9
149.05971	5.7
149.09628	8.5
149.13243	8.1
150.10339	1.4
151.11221	6.5
153.09102	12.3
158.10907	4.1
161.09566	1.1
163.11237	5.2
163.14856	4.4
165.12743	15.3
166.07744	0.9
167.07083	1.7
173.13248	17.8
176.11938	1.4
177.05467	5.4
181.08525	1.2
187.46004	1.0
191.14308	85.3
192.14597	3.6
193.25320	0.9
209.08069	2.1
209.15367	100.0
210.15625	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	2.1
55.01867	1.3
55.05261	0.6
55.05502	4.0
57.03434	5.6
57.07066	4.1
59.04988	2.6
65.83846	0.7
67.05499	6.8
69.03430	16.6
69.07068	7.9
69.16284	5.5
71.04999	3.3
77.03887	0.6
79.05485	6.6
80.09714	0.6
81.03413	10.6
81.07052	11.1
83.04974	5.7
83.08620	3.2
85.06538	1.8
91.05481	6.1
93.07043	9.3
95.04964	8.6
95.08603	14.8
97.06529	2.7
99.04453	0.7
99.08115	1.3
103.05443	2.2
105.07023	9.2
106.04170	1.3
107.04948	0.9
107.08595	23.4
109.06519	14.2
109.10150	8.5
111.04454	0.8
111.08049	2.1
116.86589	0.8
117.07007	1.2
119.08569	8.9
121.06504	4.8
121.10138	25.9
122.07264	1.6
122.10508	1.1
123.08072	13.7
123.11694	9.8
124.15953	0.7
125.05981	0.9
125.09642	4.6
131.08578	3.1
133.10139	4.0
135.08029	4.5
135.11691	3.6
137.09616	11.0
137.13248	2.5
143.08562	0.8
145.10139	3.4
147.11673	5.0
149.05945	2.7
149.09612	12.6
149.13251	15.2
151.03000	0.7
151.11180	10.5
153.09053	1.6
158.10963	1.8
163.11198	2.2
163.14822	7.7
165.12749	100.0
166.13074	4.1
167.14305	0.8
173.13272	8.5
177.05492	2.7
186.68114	0.7
191.14313	20.2
192.14772	0.8
209.07967	1.0
209.12054	1.2
209.15367	48.0
210.15703	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03941	0.9
53.47461	0.5
55.01874	1.6
55.05510	7.2
57.03441	2.4
57.07069	1.2
58.61011	0.4
59.05000	1.2
60.31980	0.4
65.03941	1.8
67.05508	4.0
69.03437	3.2
69.07057	2.4
70.57088	0.9
71.04992	6.6
76.53477	0.5
79.05481	3.7
81.03436	0.5
81.07049	5.9
83.04976	9.0
83.08624	3.4
85.06554	1.5
91.05487	4.8
93.03423	0.6
93.07044	5.9
95.04966	100.0
95.08593	3.4
96.05314	1.9
97.06537	5.0
97.10175	1.3
99.04455	17.4
99.08114	1.4
103.05466	1.1
105.07024	4.5
106.04137	2.4
107.04964	0.7
107.08584	7.4
109.06517	17.5
109.10163	5.2
111.08076	4.2
114.34091	0.6
117.07056	0.5
119.08588	1.4
121.05759	0.5
121.06503	3.3
121.10154	5.6
123.08047	2.6
123.11701	1.7
125.05957	1.4
125.09632	4.6
128.44598	0.4
130.27905	0.5
131.04919	1.2
131.08554	3.2
133.06479	0.7
133.10130	7.8
134.06030	0.6
135.04413	0.9
135.08058	4.0
135.11687	1.7
139.07553	1.0
139.11186	1.3
145.10115	2.1
147.11719	0.7
149.05975	2.8
149.09628	5.0
149.13263	2.4
151.07623	0.6
151.11186	4.2
153.09102	31.3
154.09496	1.0
155.41508	0.6
158.10851	0.9
162.05516	0.9
163.07570	2.5
163.11241	1.0
163.14865	1.9
165.09132	0.8
165.12782	1.1
167.14301	4.7
173.13222	4.4
177.05473	1.6
181.04930	3.6
181.08522	0.5
191.10693	2.2
191.14284	11.6
209.06319	0.9
209.08128	2.3
209.11742	1.6
209.15370	19.8
210.15686	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03946	5.4
55.01878	4.1
55.05510	33.1
57.07074	4.7
59.04994	6.9
63.97639	1.8
65.03936	2.8
66.19296	2.0
67.05502	23.2
69.03421	16.5
69.07063	30.6
69.55567	2.7
69.55977	7.2
71.04986	8.8
79.05499	20.2
81.07058	26.2
83.04982	66.5
83.08611	11.9
85.02893	4.3
85.06554	8.5
91.05486	19.0
93.07040	48.4
95.04955	11.6
95.08607	48.8
97.06516	17.9
97.10195	4.2
98.22602	3.7
99.04478	4.0
99.08086	4.0
103.05457	3.4
105.07028	20.6
106.04165	8.9
107.04958	5.5
107.08593	100.0
108.08941	2.3
109.06518	25.1
109.10162	30.8
111.08073	22.6
113.06007	10.1
117.07026	3.8
119.06096	2.7
119.08573	14.9
121.06511	19.6
121.10143	57.3
122.10459	2.2
123.08065	14.9
123.11713	9.9
125.06001	4.1
125.09634	25.5
127.07541	2.6
131.04919	1.9
131.08597	12.8
133.10133	40.9
135.08072	16.5
135.11690	85.8
136.08762	2.1
136.12064	3.3
137.09605	3.1
139.07559	4.1
139.11218	6.4
143.08522	2.1
145.10129	9.6
147.11690	10.1
149.05983	7.7
149.09624	16.3
149.13249	37.8
150.13655	2.0
151.11179	91.9
152.11475	4.1
153.09087	36.4
153.79166	2.0
158.10986	4.4
163.06439	2.3
163.11235	6.3
163.14822	25.5
165.12787	2.5
167.10649	4.6
173.13271	22.4
177.05481	5.3
181.08612	2.9
191.14316	58.2
192.14725	3.3
209.08144	5.0
209.12064	3.7
209.15363	48.7
210.15749	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03937	2.9
55.01859	5.4
55.05239	1.4
55.05512	27.0
57.03434	4.2
57.07066	4.3
59.04984	1.5
60.21719	1.3
65.03940	4.1
67.05506	13.9
68.99808	2.3
69.03431	25.7
69.03805	1.0
69.07065	13.2
69.17483	9.2
71.04977	5.4
77.03898	1.2
79.05492	13.6
81.03413	3.6
81.07056	22.1
83.04981	100.0
83.08608	4.2
85.02900	3.7
85.06544	7.7
89.03925	9.6
89.11635	1.4
91.05482	26.2
93.03378	3.0
93.07042	30.0
94.07305	1.4
95.04967	16.8
95.08610	16.6
97.02909	2.7
97.06525	7.9
97.10168	5.4
99.04462	5.6
99.08076	5.4
103.05476	21.3
105.07026	12.3
106.04163	6.1
107.04942	11.3
107.08592	42.8
109.06509	12.4
109.10154	17.5
111.08095	11.4
117.03375	6.4
117.06996	3.5
119.04931	6.1
119.06113	2.0
119.08552	7.0
121.06503	30.8
121.10146	23.2
123.08070	4.5
123.11705	7.7
125.05964	4.3
125.09624	35.4
129.06979	1.5
131.04927	33.6
131.05914	1.8
131.08534	8.3
133.10130	27.0
134.03622	10.1
135.04407	3.1
135.08055	15.7
135.11697	9.1
137.09618	17.7
139.07521	1.8
145.02837	4.6
145.10117	6.8
147.04398	5.3
147.11687	5.6
148.05171	3.6
149.05980	37.4
149.09618	23.6
149.13249	27.6
151.03937	1.6
151.07532	1.7
151.11192	12.6
153.05412	1.6
153.09105	33.4
156.30173	1.5
158.10954	3.3
159.04419	18.6
163.03909	3.3
163.07553	6.1
163.11195	5.6
163.14871	8.3
165.09122	1.4
165.12741	5.0
166.06265	1.4
167.14342	3.1
168.07828	2.8
173.13249	12.9
177.05466	99.2
177.08913	2.8
178.05838	4.0
178.09882	4.6
179.06937	1.7
181.08588	8.1
191.10641	3.0
191.14293	37.1
194.09398	5.7
209.08090	7.9
209.09850	2.6
209.11737	12.2
209.15366	60.6
213.65010	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.02393	1.0
53.03950	6.5
55.01881	11.9
55.05512	5.9
55.41385	0.8
57.03429	2.9
57.07065	1.0
59.04991	1.0
65.03947	5.2
66.04733	1.3
67.05512	10.5
69.03428	2.0
69.07070	7.6
71.05018	4.3
71.29888	1.2
77.03906	1.2
78.04721	2.7
79.05500	19.5
80.06297	1.2
81.03427	1.4
81.07044	10.2
83.04955	3.5
83.08626	4.2
84.05640	5.4
85.02911	3.0
85.06564	1.9
85.07017	0.9
90.03448	3.0
90.04713	1.0
91.05485	100.0
92.05800	1.0
93.07050	13.1
94.04185	1.7
95.04978	15.7
95.08610	9.3
97.06542	2.5
97.10193	1.5
99.04448	3.9
99.08116	3.2
103.05468	11.1
105.03397	13.2
105.04531	3.7
105.07032	24.0
106.04220	1.0
107.04955	41.0
107.08596	4.7
108.05769	5.4
109.05775	1.7
109.06521	28.0
109.10167	13.1
111.08084	1.8
115.05455	2.0
118.04185	4.4
119.04947	97.8
119.08596	6.2
120.05289	2.8
121.06507	27.6
121.07351	1.6
121.10101	4.7
122.03699	1.7
122.07325	1.6
123.04455	6.1
123.08073	16.3
123.11745	3.4
124.05230	2.9
125.06025	1.5
125.09593	1.6
126.01076	39.5
127.11180	1.3
128.00783	9.2
129.06938	0.9
131.08543	1.0
133.06511	14.7
133.07478	1.4
133.10141	6.9
134.03648	15.1
135.04442	1.8
135.08066	4.0
135.11726	4.9
136.05240	2.0
137.05978	19.5
137.09599	7.2
139.11259	1.4
147.04411	14.6
147.08104	2.6
147.11684	2.3
149.05988	30.4
149.13249	1.6
151.03932	2.8
151.07539	53.0
151.11180	5.3
151.14853	1.7
152.04605	1.0
152.07967	1.1
153.05527	2.2
155.08484	1.6
155.10680	2.1
161.05997	8.6
163.03908	2.0
165.05508	2.4
165.06967	1.7
165.09145	2.7
165.16505	1.3
166.06288	1.9
167.07047	36.2
175.09821	4.1
175.11172	1.7
175.14856	3.4
179.07036	14.4
181.04997	1.7
181.08575	6.7
183.08054	1.5
193.08665	2.3
193.12262	1.1
193.15903	11.0
196.07257	7.0
196.08823	1.4
205.98807	1.0
211.05640	3.7
211.07484	39.5
211.09662	20.6
211.13023	2.0
211.17003	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.02084	0.8
53.03944	4.6
54.77707	0.8
55.01681	0.8
55.01872	9.3
55.05503	2.3
57.03428	1.1
61.39425	0.8
64.70889	0.8
65.03938	5.5
66.04703	1.1
67.05505	3.6
69.03429	1.0
69.07082	1.3
69.34771	6.6
71.04971	1.9
77.03927	1.6
77.74007	1.0
78.04700	2.5
79.05489	15.8
80.06251	1.2
81.03412	1.4
81.07059	5.3
81.07468	0.8
83.04978	1.8
85.02904	1.4
90.04676	0.9
91.05478	86.1
92.05817	2.1
93.07037	8.6
95.04958	8.9
95.08593	2.1
103.05469	10.3
105.03391	14.3
105.04500	2.7
105.07026	20.2
106.04196	1.5
107.04952	34.9
107.08580	1.7
108.05737	3.8
109.06515	22.1
109.10157	1.8
110.03652	1.4
111.04461	0.9
111.08063	1.6
115.05439	1.1
118.04194	4.8
119.04939	100.0
119.08578	2.9
121.06502	26.7
122.07310	2.3
123.04446	8.2
123.08066	11.3
124.05243	2.1
125.06026	1.7
125.09615	0.9
131.04929	2.3
133.06493	12.4
133.10118	3.6
134.03636	15.7
135.04422	2.1
135.08014	2.2
135.11693	1.4
136.05174	2.6
137.05948	7.3
137.09596	1.4
137.73434	1.2
138.03117	2.6
140.04691	1.9
141.50055	0.9
141.81894	1.3
146.03549	1.0
147.04395	17.2
147.11743	1.0
149.05975	32.9
151.03925	2.4
151.07539	46.4
152.04660	2.0
153.05457	37.9
155.08530	1.0
161.05994	8.6
165.05435	1.6
165.09085	1.9
166.06236	1.6
167.07039	39.0
168.07837	12.8
175.14830	2.6
177.24980	0.8
179.07043	13.7
181.08603	6.6
193.08612	2.8
196.07243	4.7
211.09590	17.6
211.11298	1.4
211.12955	1.4
211.16876	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03934	2.7
55.01873	4.2
55.05510	4.8
57.03421	2.4
57.07064	1.0
59.04975	1.1
65.03922	2.6
65.44275	0.7
66.04708	0.9
67.05501	7.7
69.03434	4.8
69.07045	2.7
70.92466	1.8
71.04984	3.0
75.04469	1.1
77.03947	1.0
78.04700	1.0
79.05492	16.3
81.03407	3.1
81.07057	6.0
83.04966	3.9
83.08617	1.8
85.02943	1.2
85.06532	4.9
90.04685	1.6
91.05479	22.3
92.06260	2.0
93.03394	1.0
93.07039	7.5
94.04169	1.2
95.04971	12.3
95.08611	6.1
97.02884	1.4
97.06543	1.8
97.10175	1.4
97.11599	0.9
99.04446	3.0
99.08090	1.5
101.06041	1.6
103.05463	10.7
104.06248	1.1
105.03422	1.3
105.04503	1.6
105.07029	34.6
106.04164	0.8
107.04956	6.7
107.08597	4.3
108.05730	2.9
109.02856	1.0
109.06531	5.8
109.10141	6.0
110.03653	2.2
111.04453	2.2
111.08080	1.6
113.05987	1.8
115.05429	2.9
117.06935	1.1
118.04157	12.9
118.16120	0.9
119.04945	11.8
119.08560	9.2
120.05709	2.6
121.02842	1.3
121.06516	6.3
121.10143	3.0
122.03625	1.5
122.07298	5.0
123.04428	49.2
123.08087	6.9
123.11664	2.2
124.05171	2.8
125.05968	1.6
125.09624	4.7
131.04938	1.5
131.08554	1.4
133.06487	27.5
133.10124	5.6
134.07050	1.6
135.04402	5.7
135.08046	4.9
135.11705	4.9
136.05197	2.0
137.05981	13.8
137.09570	2.8
139.07526	1.1
146.03609	2.5
147.04417	6.5
147.08028	1.8
147.11667	1.5
148.05214	1.5
149.05951	6.6
150.06763	14.4
151.03880	4.4
151.07536	32.6
151.11159	1.6
152.07915	1.2
153.05504	1.0
157.10132	1.4
161.05977	3.8
161.07127	2.0
162.06689	1.3
163.14787	3.1
165.05473	1.2
165.06960	1.0
165.09103	18.9
165.12753	1.3
167.07045	12.9
169.10112	1.0
174.73718	0.8
175.11212	1.0
175.14830	3.4
178.06206	2.2
179.07024	100.0
180.07477	3.3
181.08624	1.7
193.08598	39.3
193.12242	1.5
193.15868	2.3
194.08942	1.2
209.47800	0.7
211.07506	3.4
211.09549	14.9
211.11351	0.9
211.13098	2.0
211.16962	1.8
220.20570	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03927	1.6
55.01858	3.4
55.05508	4.4
57.03426	2.6
57.07061	3.5
59.04985	2.4
64.70551	0.7
65.03943	2.3
66.04712	1.3
67.05502	9.3
69.03429	60.0
69.07068	19.5
69.74252	3.5
71.04986	3.8
78.52602	0.7
79.05493	13.4
81.03404	3.5
81.07059	5.9
83.04971	5.5
83.08623	6.9
85.06524	0.8
87.04467	100.0
91.04961	1.4
91.05484	16.2
92.06275	1.6
93.03373	1.3
93.07057	4.9
94.04175	0.8
95.04972	9.7
95.08594	5.6
97.06518	1.6
103.05470	6.7
105.03405	1.0
105.04530	1.3
105.07036	27.4
105.07752	1.6
107.04964	4.0
107.08579	2.6
108.05737	1.7
109.02865	1.1
109.06515	3.5
109.10138	5.9
110.03656	1.6
111.04483	1.1
111.08077	17.5
115.05441	2.5
117.07000	1.0
118.04155	8.0
119.04954	12.5
119.08589	6.5
120.05676	1.5
121.02851	1.1
121.05758	0.9
121.06465	4.8
121.10139	1.9
122.03581	0.8
122.07285	2.3
123.04429	45.6
123.08083	5.0
123.11692	1.3
124.05186	1.6
125.09644	7.9
125.13269	6.9
129.09109	1.7
131.04878	1.6
131.08508	0.9
133.06500	16.9
133.07454	0.7
133.10118	5.6
134.07161	1.2
135.04411	3.5
135.08066	2.8
135.11685	2.1
136.05188	1.0
137.05974	7.7
137.09596	1.8
146.03651	2.2
147.04436	6.5
147.11690	1.9
148.05122	1.0
149.06006	5.0
150.06757	10.6
151.03979	4.5
151.07541	30.9
151.11156	2.4
161.05943	2.7
161.07132	1.7
165.05467	1.2
165.09122	11.8
167.07051	9.8
167.08398	1.3
175.14769	1.1
178.06303	1.1
179.07030	88.7
180.07394	3.5
193.08603	25.0
193.10413	0.8
193.12257	2.8
193.15897	2.7
194.08829	1.0
211.07718	1.5
211.09634	14.4
211.11400	1.4
211.12967	1.0
211.16927	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01863	0.4
57.03437	0.6
57.78246	0.3
57.96449	0.3
60.66420	0.2
63.02397	0.2
65.03946	0.7
69.03413	0.4
69.42279	0.4
69.42684	1.1
71.04977	0.4
71.07350	0.3
79.05522	1.8
81.03439	0.3
81.07044	1.0
83.04908	0.4
84.05634	4.5
90.03448	2.2
91.05488	5.3
93.07030	0.7
94.04200	1.9
95.04971	1.1
95.08606	0.4
99.00005	0.5
103.05470	0.7
104.93507	0.3
105.07037	3.3
107.04953	3.1
107.08601	0.3
109.06524	2.8
115.05488	0.6
119.04948	5.2
119.08582	0.4
121.06528	1.5
122.02827	0.5
122.03652	5.5
123.04451	0.3
123.08071	0.7
125.06061	0.4
126.01079	30.7
127.01431	0.6
128.00780	5.2
133.02882	0.3
133.06497	3.1
133.07616	1.6
137.05984	100.0
138.06326	2.1
139.03903	0.4
144.02113	0.4
147.04417	7.8
147.08043	0.8
147.11769	0.3
149.05994	0.5
151.03911	0.4
151.07545	4.7
153.05504	2.6
154.06277	1.4
155.08592	0.2
161.05974	0.8
163.03951	1.1
165.05539	0.6
165.09033	0.3
165.12762	0.4
167.07042	0.7
169.05247	0.3
173.08241	0.5
175.09802	2.6
175.11157	0.6
178.06259	1.2
179.07040	5.9
181.08629	0.5
192.92741	0.3
193.08664	0.8
194.04758	0.7
211.05690	3.3
211.07478	34.2
211.09631	6.5
212.07782	0.6
212.09872	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01875	4.0
55.05515	6.4
56.16942	0.8
57.03429	2.8
59.05014	1.1
65.03938	2.6
67.05508	7.4
67.90961	0.9
69.03402	1.2
69.07060	3.2
69.12218	0.8
70.45036	2.2
71.04988	1.8
79.05492	15.6
81.03425	5.1
81.07060	9.0
83.04998	4.3
83.08613	2.7
91.05480	19.2
92.06310	1.2
93.03408	1.7
93.07034	7.2
94.04199	1.4
95.04966	12.1
95.08604	8.4
96.38334	0.8
97.06516	1.9
99.08103	1.4
103.05476	8.9
105.03431	1.3
105.04466	1.2
105.07034	30.1
105.70295	0.9
107.04942	7.8
107.08588	5.9
108.05697	2.1
109.02893	1.1
109.06524	3.7
109.10164	4.4
110.03656	1.9
111.08059	2.0
115.05450	2.4
117.07043	1.2
118.04160	10.5
119.04955	10.7
119.08571	6.6
120.05711	1.7
121.02881	1.5
121.06506	5.9
121.10145	1.7
122.03642	1.1
122.07311	2.4
123.04430	53.2
123.08064	7.7
123.11707	7.8
125.09621	1.4
133.06496	22.5
133.10115	7.5
134.07263	1.2
135.04402	5.1
135.08046	4.3
135.11642	5.8
136.05244	1.8
137.05962	7.7
137.09592	2.5
146.03625	1.9
147.04411	6.4
147.11693	2.3
148.05234	1.0
149.05992	10.9
150.06763	12.6
151.03915	3.8
151.07541	33.1
151.11188	1.5
152.04726	1.0
152.07938	1.2
157.10246	1.1
161.05951	4.1
161.07159	2.3
163.14711	1.0
165.05499	0.9
165.09085	12.3
165.12703	1.9
167.07043	14.6
168.05765	1.0
168.09355	1.1
175.11276	1.1
175.14804	5.1
178.06291	5.2
179.07030	100.0
180.07495	3.1
181.08536	1.2
183.11710	1.3
193.08606	50.0
193.12231	1.7
193.15843	2.3
194.08922	1.3
211.07645	1.9
211.09564	14.8
211.11301	2.0
211.13203	1.9
211.16895	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03775	0.5
53.03994	1.2
55.01934	1.6
55.05577	1.7
57.03478	0.9
57.07114	0.9
59.05035	0.5
65.04006	1.8
67.05573	5.6
68.99863	1.4
69.03509	1.4
69.07140	1.6
69.07574	4.2
71.05064	1.3
77.04021	0.4
79.05492	8.8
81.03462	0.8
81.07053	3.8
82.37425	0.4
83.05052	1.4
83.08685	0.5
85.02941	0.5
85.06583	1.0
90.04763	0.5
91.05479	11.5
93.03436	0.6
93.07029	2.9
93.56018	0.4
94.04237	0.8
95.04963	8.6
95.08608	5.0
97.06553	0.5
99.08150	0.8
103.05469	6.0
105.03435	1.0
105.04570	0.7
105.07027	18.1
107.04987	3.4
107.08585	2.9
108.05809	1.4
109.02953	1.0
109.06521	2.7
109.10149	6.9
110.03656	2.3
111.04500	1.5
111.08137	0.7
115.05528	1.4
117.07074	0.5
118.04170	5.6
119.04939	7.7
119.08589	2.1
120.05775	1.1
121.02939	1.5
121.06533	3.0
121.10209	0.9
122.03678	0.5
122.07336	1.4
123.04427	55.1
123.08066	5.1
123.11750	1.2
124.04742	0.5
124.05285	0.7
125.09653	0.6
127.03963	1.1
127.07643	0.5
132.05748	0.5
133.06491	12.3
133.10135	2.2
134.07265	0.9
135.04420	2.5
135.08087	2.0
135.11702	4.1
136.05235	1.6
137.05963	6.3
137.06886	0.5
137.09647	1.4
139.03893	3.0
146.03584	1.0
147.04390	5.4
147.11679	0.7
148.05112	0.7
149.05983	4.0
150.06760	8.2
150.07849	0.7
151.03909	9.2
151.07533	29.6
151.11153	1.0
151.14864	1.0
152.07895	1.1
153.01917	0.6
155.03381	13.6
161.06096	2.2
161.07095	2.5
163.07520	0.5
165.05573	0.7
165.06987	0.8
165.09108	7.1
165.12788	0.6
167.05602	0.7
167.07031	9.9
168.05806	0.5
168.07434	0.6
169.04947	1.0
175.14827	1.9
178.06203	0.6
178.71230	0.5
179.07028	100.0
180.07433	2.9
181.08572	0.8
183.15756	1.0
188.29880	0.4
193.08606	20.3
193.15804	0.9
196.05182	0.7
198.25714	0.4
211.07495	3.1
211.09592	22.2
212.10014	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
53.03945	4.6
55.01872	5.4
55.05514	41.1
57.03444	6.5
57.07082	1.7
59.04996	1.9
65.03941	1.7
67.05505	30.1
69.03434	9.7
69.07069	11.0
69.83595	0.8
71.04980	7.4
71.30847	1.3
79.05495	33.1
79.08395	0.8
81.03420	100.0
81.07059	40.8
83.04983	45.7
83.08620	30.1
85.02892	1.7
85.06552	2.8
91.05481	31.4
93.07047	16.0
95.04971	34.4
95.08605	15.3
96.05330	1.1
97.02875	5.1
97.06544	5.2
97.10178	7.7
99.04482	1.1
99.08090	2.3
105.04551	0.9
105.07030	24.2
107.04960	5.7
107.08595	9.1
109.06516	5.6
109.10164	4.0
111.04453	2.9
111.08078	10.2
113.06008	1.0
115.05450	1.9
117.07059	1.4
119.08577	20.2
121.06522	2.1
121.10146	8.2
123.08078	4.1
123.11716	5.8
125.09637	2.2
129.07014	12.6
131.08577	10.6
133.06490	3.5
133.10120	12.4
137.05997	3.5
137.09654	3.7
139.07469	1.0
141.06940	1.2
142.07793	3.5
145.10124	2.3
147.08058	4.1
147.11687	12.7
149.09605	6.9
151.11218	1.9
155.08546	3.2
157.10138	14.2
163.11235	1.0
165.12801	2.9
167.08568	1.1
168.09375	1.1
169.10150	3.8
175.11191	15.6
178.07796	0.8
179.07063	1.0
179.10728	2.4
181.06462	1.2
181.10152	1.8
183.11624	1.8
193.12239	32.3
193.14026	1.6
194.12581	1.4
196.08900	1.3
196.12569	1.0
211.11169	4.2
211.13274	13.3
211.14908	5.4
217.64984	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03947	3.7
55.01872	5.4
55.05515	41.1
57.03439	8.1
59.04994	1.3
61.80038	1.0
65.03941	2.0
67.05508	33.7
67.59643	1.0
69.03433	11.5
69.07069	10.0
71.04998	4.8
71.29019	2.0
73.54366	1.0
77.03962	1.0
79.05496	35.5
81.03421	100.0
81.07060	39.6
81.10123	1.2
82.03741	1.5
83.04984	54.0
83.08625	32.8
85.06553	2.7
86.17832	1.1
91.05482	33.0
93.07040	20.1
95.04974	38.0
95.08602	14.8
97.02905	3.3
97.06541	7.3
97.10169	8.7
99.04468	1.5
99.08083	2.1
105.07034	25.8
107.04985	8.1
107.08589	9.6
109.06513	6.5
109.10185	5.0
111.04434	4.1
111.08069	12.0
113.05990	1.7
117.07066	2.0
119.04949	1.6
119.08585	21.8
121.06506	2.2
121.10148	6.9
123.08095	4.7
125.09658	2.3
129.07002	11.8
131.08565	12.9
133.06508	4.2
133.10126	13.1
137.06056	5.3
137.09642	3.4
142.07834	3.4
143.08600	1.7
145.10159	1.6
147.08070	3.8
147.11694	15.1
149.09637	7.4
153.07002	2.0
155.08563	4.0
157.10127	15.4
165.12733	3.1
168.09338	1.6
169.10129	4.5
175.11195	17.5
177.16200	1.1
181.10133	3.1
193.12259	37.5
194.12561	1.6
196.08841	2.0
196.12411	2.3
211.11211	7.7
211.13298	14.6
211.14935	3.4
212.25874	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.02369	1.1
53.03952	6.5
55.01871	7.4
55.05515	48.4
57.03443	10.0
57.07066	2.2
59.05002	2.0
65.03938	2.1
67.05505	34.9
69.03430	11.8
69.07073	13.0
69.21931	7.0
71.01333	1.2
71.04999	6.7
73.06527	1.3
79.05492	40.0
80.82262	0.9
81.03419	100.0
81.07054	44.3
81.60468	1.0
82.03753	1.6
82.07376	1.0
83.04983	51.0
83.08620	31.9
84.05291	1.1
85.02909	2.2
85.06565	4.7
91.05482	37.1
92.05820	1.3
93.07043	20.1
94.07369	0.9
95.04970	36.6
95.08604	19.3
96.05260	1.1
97.02895	5.0
97.06555	6.6
97.10188	7.6
99.04456	1.0
99.08092	2.7
103.05508	1.7
105.04526	1.3
105.07030	34.6
107.04964	7.2
107.08596	10.8
109.06525	9.0
109.10146	7.6
111.04462	3.4
111.08081	13.8
113.06009	1.7
115.05433	2.1
117.07083	1.9
118.04156	1.7
119.04954	2.3
119.08582	23.9
121.06489	4.6
121.10143	8.2
123.04455	6.5
123.08090	5.5
123.11703	3.3
125.09603	4.9
129.07014	12.1
131.08560	13.3
133.06479	5.9
133.10133	14.3
135.11693	3.6
137.05963	6.9
137.09613	3.4
142.07779	3.4
145.10146	2.0
147.04399	1.6
147.08051	3.9
147.11685	20.3
149.05917	1.7
149.09608	7.5
149.13326	1.4
150.06796	3.0
151.07584	5.3
151.11070	1.4
152.86807	1.0
153.07079	1.1
155.08537	2.1
155.10654	1.2
157.10115	18.0
165.09151	1.9
165.12759	4.3
167.07047	10.6
167.08409	1.4
168.09259	1.6
175.11191	16.6
175.14734	2.2
179.07001	9.9
181.08641	1.3
183.11696	2.2
193.08684	4.9
193.10341	1.5
193.12228	31.7
193.15955	2.5
196.08746	1.2
210.89932	0.9
211.07545	2.7
211.09598	2.4
211.11194	3.2
211.13298	13.5
211.14845	1.1
211.16867	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03947	4.1
55.01875	4.9
55.05512	44.4
57.03439	8.3
57.05929	0.6
57.07061	0.8
59.04994	1.4
62.23593	0.7
65.03938	1.8
66.93268	0.6
67.05505	30.5
69.01089	7.6
69.03437	10.1
69.07072	10.0
71.04987	5.5
73.02892	0.8
79.05493	33.7
81.03417	100.0
81.07059	36.4
81.07434	0.5
83.04984	49.6
83.08619	32.5
83.09119	1.5
85.02873	0.9
85.06552	3.0
91.05479	36.3
93.07043	15.4
94.69052	0.7
95.04971	35.4
95.08601	11.7
97.02901	3.6
97.06522	4.7
97.10172	7.0
99.04449	1.5
99.08103	1.6
101.09660	0.9
105.07030	22.9
107.04947	7.1
107.08598	7.9
109.06525	7.3
109.10175	2.1
111.04462	2.9
111.08075	10.9
115.05502	1.7
117.07035	1.6
119.04942	1.2
119.06114	0.8
119.08578	19.9
121.06515	2.3
121.10143	7.6
123.08077	2.9
123.11748	1.2
125.09642	2.8
129.06999	12.5
131.08577	12.2
133.06508	3.0
133.10124	11.4
135.11705	1.2
137.06017	1.0
137.09619	1.9
141.06987	1.0
142.07785	4.4
145.10144	1.9
147.08041	2.7
147.11681	14.3
149.09616	6.8
153.07047	0.7
155.08612	1.5
157.10126	15.1
163.11201	0.7
165.12772	2.8
168.09395	0.7
169.10136	1.4
175.11185	14.3
176.11615	0.7
183.11705	1.3
187.65579	0.8
188.03902	0.6
193.12238	28.5
196.12492	0.8
211.11217	2.6
211.13326	14.3
211.14914	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03947	6.7
55.01876	8.1
55.05513	45.4
57.03437	8.1
59.04998	1.3
65.03941	2.9
65.47086	1.1
67.05503	33.9
69.03435	12.1
69.06213	9.3
69.06626	2.1
69.06761	1.5
69.07069	14.3
71.04993	9.0
79.05498	36.5
81.03420	100.0
81.07057	36.0
82.03785	1.7
83.04984	54.0
83.08623	36.1
85.02912	1.6
85.06557	5.4
86.33659	1.1
87.97983	1.2
91.05484	36.4
93.07046	18.6
95.04971	34.4
95.08607	14.0
97.02902	4.0
97.06524	5.8
97.10175	8.8
99.04470	1.1
99.08115	1.7
103.05455	1.1
105.07031	26.6
107.04950	8.0
107.08612	10.5
109.06529	7.2
109.10169	2.4
111.04471	3.6
111.08080	12.6
115.05467	2.0
117.07032	1.9
119.04948	2.2
119.06136	1.3
119.08595	18.5
121.06498	2.9
121.10129	8.2
123.04448	2.7
123.08091	3.7
123.11691	2.0
125.06014	1.3
125.09639	3.9
125.58932	1.3
127.11209	10.2
129.07008	12.7
131.08557	9.7
133.06514	4.0
133.10147	12.1
135.08101	1.1
137.05992	3.6
137.09622	3.2
142.07797	3.7
145.10263	1.3
147.08081	2.4
147.11696	16.2
149.06003	1.6
149.09589	7.3
151.07573	1.7
155.10704	1.8
157.10117	13.2
165.06999	1.6
165.12794	2.9
167.07086	4.2
175.11192	19.1
179.07060	6.9
183.08086	1.6
193.08675	1.8
193.12245	34.0
194.12646	1.5
196.08923	2.2
199.06502	1.5
211.07660	2.0
211.11249	2.7
211.13185	13.2
211.14789	1.8
211.16812	1.6
214.09528	1.2
217.07512	1.1
229.07443	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.05513	9.9
55.05727	1.5
55.42954	1.5
57.03432	2.7
57.07071	4.1
59.05006	2.0
67.05511	11.2
69.03429	3.6
69.07072	13.2
70.61767	4.6
71.04987	11.5
79.05502	7.3
81.07053	24.3
83.04979	4.2
83.08620	6.3
85.02886	1.9
85.06567	3.0
91.05480	15.2
93.07037	18.6
95.04961	5.8
95.08608	41.9
97.06533	5.5
99.04462	7.9
99.08070	8.2
102.62122	2.2
105.07026	23.4
107.08600	24.4
109.06548	6.4
109.10158	18.1
111.08078	4.0
113.03499	1.9
113.09653	5.6
115.07559	2.3
117.06971	2.2
119.04961	2.0
119.08577	68.4
121.06524	3.2
121.10139	6.8
122.03651	2.6
123.08091	4.3
123.11710	6.5
125.09627	5.7
131.08536	2.3
133.06454	2.4
133.10129	100.0
134.10500	2.6
135.11685	42.3
137.05974	63.4
137.09610	7.5
141.09099	3.1
145.10193	1.9
147.04414	4.5
147.08038	2.2
147.11696	5.0
151.03960	3.7
151.07616	4.4
151.11182	2.4
153.05507	2.5
153.12735	2.0
155.08566	2.6
163.83243	1.8
165.09189	2.9
165.16301	1.8
175.14825	81.3
179.07059	3.0
183.11719	1.9
193.08464	1.8
193.15894	10.3
211.07599	2.7
211.11111	3.7
211.15024	2.8
211.16943	9.3
220.23904	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
53.56589	2.6
55.01850	2.8
55.05509	24.3
57.07061	8.2
59.04975	2.6
67.05183	3.0
67.05509	38.2
69.03425	4.9
69.04130	3.2
69.04758	22.9
69.05061	3.3
69.07082	17.1
70.19388	2.5
71.04988	14.3
79.05488	23.0
81.07059	63.3
83.04990	19.4
83.08611	6.8
85.06543	47.8
91.05473	20.6
93.07044	58.5
95.04946	9.5
95.08603	100.0
97.06516	6.5
98.23330	6.3
99.04471	18.0
99.08082	17.0
101.06007	4.8
105.07023	44.6
107.08587	76.1
109.06478	4.9
109.10155	58.6
111.08090	11.3
113.09648	3.5
119.08580	90.7
121.10155	17.6
123.08057	4.7
123.11722	13.8
125.09651	13.9
131.08536	3.6
133.10132	56.4
133.11079	5.4
135.11693	76.7
137.05959	19.0
137.09596	22.2
147.04395	2.9
147.11671	14.1
149.13257	7.9
151.11182	4.1
155.10669	91.4
156.11092	2.8
163.14830	21.7
175.14832	66.1
178.92175	2.6
193.12233	3.2
193.15881	36.1
198.00360	2.6
211.11201	2.8
211.16948	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.0
55.01882	1.7
55.05510	22.7
55.30365	1.2
57.03447	9.4
57.07074	5.6
59.04993	2.5
65.03914	1.9
67.05506	37.1
69.03438	6.3
69.03777	1.2
69.06127	2.6
69.06538	9.1
69.07067	21.9
71.04998	9.9
71.08640	2.1
79.05502	10.0
81.03410	4.8
81.07059	35.6
83.04970	10.6
83.08624	11.6
85.06542	9.1
91.05482	10.7
93.07049	26.5
95.04972	7.3
95.08611	59.7
96.08935	2.1
97.02908	1.6
97.06540	11.5
97.10168	5.1
99.04416	1.4
99.08102	5.7
105.07030	15.6
107.08599	33.4
109.06531	12.8
109.10159	98.8
110.10501	3.1
111.08086	46.3
113.09621	2.2
116.22810	1.2
119.08585	45.6
121.10149	28.7
123.04470	2.0
123.08073	49.8
123.11714	20.7
125.09629	6.4
127.07582	2.4
127.11199	3.0
133.10138	41.7
135.11700	51.1
137.09618	100.0
137.13277	4.5
138.10446	10.0
139.11159	4.5
147.11697	7.8
149.13251	15.3
149.14368	1.9
151.11156	6.4
151.14824	9.8
153.12689	1.9
163.11180	3.6
163.14748	1.6
164.11998	1.5
165.12769	10.5
165.16402	4.3
167.07059	2.7
167.58926	1.3
169.10164	2.4
175.14833	55.7
178.13504	2.1
193.15894	29.9
211.07643	1.8
211.11292	2.5
211.14990	2.9
211.16930	25.2
230.21228	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03943	3.0
54.28420	1.3
55.01868	4.3
55.05513	30.7
57.03437	12.1
57.07078	6.9
59.05000	1.6
65.03924	2.6
67.05506	44.0
69.03437	10.0
69.07072	21.2
69.45715	7.5
69.72336	1.3
71.04996	12.6
71.07035	1.4
71.08617	1.9
77.81495	1.4
79.05496	17.7
81.03423	22.9
81.07055	52.9
83.04986	25.7
83.08624	18.6
85.02888	1.7
85.06546	11.1
91.05486	22.8
93.07044	27.1
95.04973	16.2
95.08610	63.0
97.02873	2.6
97.06528	13.0
97.10168	6.3
99.04478	2.0
99.08096	4.8
105.07040	22.7
107.04929	2.3
107.08591	36.3
109.06525	18.3
109.10159	100.0
110.10493	2.4
111.08083	45.1
113.06038	2.4
117.07003	1.8
118.14805	1.4
119.08581	44.9
121.06504	2.1
121.10148	25.3
122.07271	2.6
122.90114	1.6
123.04443	4.1
123.08073	51.4
123.11711	18.5
125.09628	8.3
127.11203	3.9
129.07022	3.7
131.08565	3.5
133.10138	44.0
135.08076	1.7
135.11697	53.1
137.05992	5.3
137.09621	99.6
137.13272	6.9
138.10420	8.4
139.11185	4.9
145.10080	1.7
147.11659	10.7
149.09651	1.7
149.13257	15.7
151.07607	2.4
151.11125	7.3
151.14838	10.0
153.12762	1.8
155.08537	2.9
157.10110	3.6
163.11156	2.0
163.14760	2.3
165.12769	10.1
165.16368	2.2
168.04291	2.1
168.09378	1.7
169.10213	3.1
175.11185	3.0
175.14824	53.5
176.15201	2.6
179.07036	4.8
183.11676	1.9
193.12233	7.7
193.15901	30.6
196.05113	1.6
211.07584	3.3
211.11250	3.7
211.14825	3.7
211.16870	19.9
222.15819	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
51.50036	0.5
53.03951	0.8
53.90539	0.5
54.60980	0.4
55.01870	1.3
55.05511	7.7
57.03438	2.5
57.07080	2.5
59.04999	0.9
67.05505	7.9
69.03430	5.2
69.07059	3.9
69.22310	3.0
69.39204	0.5
71.04993	100.0
71.08640	0.6
72.05323	1.3
75.93600	0.5
79.05489	6.6
81.03415	6.0
81.07057	29.0
83.04984	5.2
83.08616	4.9
85.02908	0.6
85.06567	2.4
91.05477	3.8
93.07047	3.7
95.04977	2.6
95.08607	10.5
97.06518	1.7
97.10177	4.1
98.23452	0.5
99.04465	1.2
99.08091	1.0
103.05470	0.8
105.07028	3.1
107.04963	0.5
107.08604	6.1
109.06526	1.7
109.10148	8.2
111.08080	1.7
113.05995	1.2
113.09635	1.1
119.04939	0.6
119.08573	3.5
121.06519	1.6
121.10126	3.6
122.03591	0.5
123.04442	1.5
123.08075	1.7
123.11709	25.7
124.12066	0.5
125.09634	22.2
127.11201	12.4
128.11491	0.6
129.06993	1.3
131.08580	0.8
133.06511	0.8
133.10172	2.7
135.11696	3.8
137.05992	6.5
137.09634	2.3
139.11166	4.6
141.12775	0.8
147.04398	0.6
147.11671	1.1
149.06000	1.4
149.09607	0.8
149.13301	1.5
150.06799	0.5
151.07549	0.8
151.11159	1.2
151.14838	1.3
153.12755	0.6
155.03398	1.1
155.08589	1.4
155.10663	12.0
157.10118	1.0
165.16417	1.2
167.07059	4.2
167.08287	0.7
167.14346	1.2
168.09242	0.7
169.10121	1.4
169.15872	1.7
175.11160	1.6
175.14790	2.1
179.07072	3.0
181.06528	0.9
181.08614	1.2
183.11674	1.1
193.08614	0.7
193.10291	0.9
193.12224	2.0
193.15877	3.8
196.08885	0.8
211.07536	0.9
211.09448	1.2
211.11176	2.5
211.15103	1.6
211.16920	41.6
212.17233	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60523	2.4
53.03942	5.8
55.01872	8.2
55.05512	38.7
57.03431	9.4
57.07079	8.2
59.05001	10.6
65.03944	3.2
67.05502	47.1
68.90727	3.1
69.03431	17.2
69.07067	33.7
69.26977	8.9
69.27398	11.2
71.04987	22.8
77.19497	2.6
79.05499	23.4
81.07059	60.5
83.04984	31.7
83.08614	14.7
85.02881	7.1
85.06538	13.9
91.05480	44.6
93.07045	52.3
95.04973	21.4
95.08607	92.6
97.02897	7.1
97.06508	14.7
97.10161	4.5
99.04436	15.6
99.08089	18.4
103.05481	5.7
105.03389	3.7
105.07036	29.1
107.04956	10.6
107.07880	3.2
107.08591	52.0
108.05721	2.9
109.06512	17.2
109.10155	85.4
111.08072	15.6
113.06023	5.6
113.09636	6.8
119.04939	27.4
119.08573	72.5
121.06520	9.7
121.10142	18.3
123.04475	5.1
123.08048	8.1
123.11695	25.4
125.09605	15.9
131.08656	2.8
133.06485	3.2
133.10124	100.0
134.03622	2.8
134.10478	4.5
135.11682	64.9
137.06012	8.7
137.09630	37.9
145.10123	4.5
147.04410	4.4
147.11711	13.5
149.06001	10.5
149.13234	8.1
151.07512	14.8
151.11183	7.4
151.14818	3.3
153.05511	4.7
153.12746	6.5
155.10706	26.7
163.14842	6.4
165.09137	3.5
165.12613	3.4
165.16396	8.5
167.07051	9.6
168.07825	6.8
169.10107	4.3
175.14832	77.2
176.15137	3.7
179.07040	5.1
181.08612	2.7
183.11707	4.5
193.12202	3.8
193.15907	25.3
211.09433	3.5
211.13147	5.9
211.16913	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
52.42563	1.9
53.03932	2.8
55.01860	5.7
55.05507	31.3
57.03426	8.1
57.07072	9.4
59.04994	4.4
65.03961	2.8
67.05502	46.0
69.03428	12.5
69.07071	41.8
69.26044	12.9
71.04993	38.6
79.05492	22.2
81.03403	2.0
81.07054	83.8
83.04980	22.0
83.08614	16.4
85.06544	29.3
91.05471	24.2
93.07041	71.1
95.04969	21.5
95.08604	91.7
96.08898	2.0
97.06509	12.9
97.10143	5.1
99.04446	12.2
99.07475	3.2
99.08088	46.6
101.06013	5.8
105.07028	34.2
106.99361	2.1
107.08591	78.9
108.35039	1.8
109.06544	9.5
109.10154	75.0
111.08068	20.0
111.11746	2.5
113.06009	6.4
113.09652	5.7
115.07577	12.2
117.07031	2.3
119.04994	2.5
119.08572	60.7
121.06498	5.0
121.10146	42.6
123.04461	2.2
123.08051	4.6
123.11702	70.0
125.09608	13.6
127.07545	2.5
131.08539	2.0
133.10118	60.1
135.11684	100.0
136.11983	3.1
137.05965	13.1
137.09615	18.3
137.13226	3.4
141.09119	5.3
141.12737	1.8
147.11691	13.1
149.05968	5.9
149.13228	12.1
151.11191	8.5
151.14847	2.1
153.11613	2.1
153.12737	9.7
155.10614	11.3
163.14815	84.3
164.15106	3.5
165.16406	4.5
167.07025	18.6
175.11147	4.3
175.14825	58.8
176.15117	2.1
181.08604	3.7
181.15891	6.5
193.12276	4.5
193.15862	33.4
211.11346	2.5
211.13132	3.2
211.16943	61.0
215.66165	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03944	3.5
55.01868	5.0
55.05511	23.4
57.03424	9.4
57.07068	5.7
59.17924	2.1
65.25024	2.1
67.05508	31.9
69.03428	10.4
69.07071	27.6
69.60472	11.2
71.04986	17.6
72.39751	2.3
79.05488	21.2
81.03391	5.5
81.07055	51.4
83.04973	13.7
83.08625	10.7
83.09071	2.1
83.70004	2.1
85.02896	6.5
85.06544	9.8
87.04466	9.0
91.05486	35.8
93.07047	34.2
95.04975	14.2
95.08608	61.3
97.06559	10.7
97.10152	6.1
99.04446	4.0
99.08083	13.6
103.05451	7.7
105.07032	43.3
106.07381	2.4
107.04955	7.8
107.08601	40.7
109.06531	13.1
109.09443	4.2
109.10156	52.8
109.10902	3.0
111.08090	12.4
113.09615	5.5
118.04111	2.7
118.07831	2.2
119.04960	18.9
119.08588	76.5
119.09446	3.8
121.06484	7.7
121.10147	23.4
122.03640	3.1
123.04418	10.2
123.08097	14.1
123.11711	31.5
125.09639	7.8
127.07595	4.0
131.08565	4.4
133.06435	7.4
133.10132	100.0
135.08054	4.1
135.11708	59.1
137.05971	54.9
137.09628	32.1
137.13326	3.1
139.11156	3.0
147.04356	6.3
147.11691	9.7
149.05974	8.9
149.13278	7.0
150.06755	3.3
151.03891	2.7
151.07545	19.0
151.11198	10.8
151.14833	3.8
153.05428	4.6
153.06973	2.1
153.12773	3.2
155.08640	3.0
155.10637	2.5
157.10185	2.9
161.06119	2.5
163.14827	4.7
165.09097	5.0
165.16444	5.2
166.12257	5.5
167.07071	17.4
167.08292	3.2
167.14348	5.8
175.14838	79.0
176.15115	3.6
177.87891	2.6
179.07051	23.7
181.08585	4.2
183.08098	2.7
183.11708	4.3
193.08632	11.9
193.10257	3.5
193.12238	6.2
193.15881	34.3
194.09100	2.5
196.08849	2.9
211.07533	9.3
211.09645	10.0
211.11240	6.1
211.13318	8.0
211.16913	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
52.18439	1.7
53.03934	1.5
53.30241	1.4
55.01869	2.7
55.05515	8.0
57.03436	1.7
57.07065	5.7
57.89593	1.7
59.05005	3.1
61.94075	1.5
64.04482	1.4
67.05505	13.6
69.03133	1.7
69.03432	17.5
69.07065	18.5
69.34019	10.4
71.04995	4.2
76.53709	1.7
79.05500	10.6
81.03413	4.4
81.07058	32.6
83.04979	11.8
83.08614	9.7
85.06531	4.5
87.04472	100.0
91.05486	8.8
93.07058	15.3
95.04946	6.2
95.08613	15.3
97.06529	20.4
97.10174	1.7
99.08099	1.8
103.05479	2.4
105.05546	1.6
105.07029	14.2
107.04958	3.4
107.08595	36.9
109.06513	2.6
109.10160	43.0
111.08079	24.2
118.04159	4.5
119.04904	3.3
119.08560	4.5
121.06481	4.3
121.09315	1.8
121.10154	23.4
123.04362	2.7
123.08086	1.9
123.11711	86.1
125.09626	1.8
125.13269	12.6
129.09096	5.4
130.72961	1.8
133.06494	7.0
133.10115	6.2
135.04446	2.0
135.08034	2.1
135.11652	3.4
137.05962	5.0
147.11668	3.6
149.12160	1.9
149.13272	28.9
150.06740	3.9
151.07512	3.9
151.11211	7.5
163.80762	1.6
165.05502	1.6
165.09132	6.1
165.12776	1.6
167.07018	6.3
167.08466	1.4
167.14319	64.1
175.14836	3.1
179.07018	5.7
193.08618	17.2
193.12285	4.2
193.15854	5.5
194.08904	1.7
194.68155	1.6
211.07512	2.8
211.11345	2.1
211.13138	3.5
211.16927	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11940	1.5
52.81440	1.6
53.03945	3.9
55.01875	2.5
55.05508	15.9
57.03439	3.6
57.07079	2.1
59.05014	2.4
66.01010	1.4
67.05505	14.9
69.03433	4.6
69.07085	11.9
71.04993	15.5
79.05499	14.7
81.03425	16.9
81.07061	30.4
83.04974	13.4
83.08617	9.3
85.06554	5.5
91.05489	15.9
93.07046	23.5
95.04955	9.7
95.08611	43.9
97.06548	7.8
97.10211	2.3
99.04450	4.0
99.08118	9.8
103.05490	1.8
105.07033	23.5
107.08604	30.6
109.06539	3.7
109.10176	14.7
111.08082	4.1
113.09659	5.4
114.08373	2.0
115.07603	1.9
117.06981	2.3
119.08582	69.3
121.10137	9.1
123.04426	3.8
123.08070	5.3
123.11696	17.1
125.07268	1.5
125.09659	3.3
129.07033	2.3
131.08580	3.9
131.96503	1.7
133.06557	2.0
133.10132	100.0
135.10666	2.7
135.11696	47.3
137.06010	5.2
137.09645	8.6
141.06905	1.7
142.07776	1.8
145.10141	2.2
147.11707	9.9
148.66446	1.6
149.13318	3.7
151.11279	2.6
153.06981	3.2
153.12738	2.0
155.08572	2.2
155.10686	2.2
157.10103	5.1
167.07193	2.3
167.08559	3.7
168.09380	3.8
169.10182	2.0
175.11250	4.5
175.14821	79.4
178.07875	1.7
179.07082	5.8
181.06555	4.3
183.11749	5.6
184.10371	1.5
189.70998	1.8
193.10188	2.9
193.12244	8.3
193.15872	11.3
196.08858	8.6
196.24481	1.6
211.07724	2.3
211.11209	17.5
211.13141	2.7
211.15109	3.1
211.16876	9.8
213.34795	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
52.56628	2.3
55.01870	4.8
55.05266	3.8
55.05511	40.2
57.03433	6.7
57.07074	7.3
59.05001	2.4
65.03938	4.9
67.05502	47.0
67.34943	2.2
68.66188	2.1
69.03432	19.8
69.07073	30.1
69.68642	6.6
69.69029	3.8
71.04982	11.9
79.05486	26.2
81.03413	38.7
81.07056	59.1
83.04982	38.6
83.08625	25.2
85.06538	9.0
91.05483	24.9
93.07043	28.1
95.04967	19.5
95.08606	59.6
97.06533	5.1
97.10184	5.9
99.04472	3.8
99.08104	5.4
103.05441	2.6
105.07034	33.7
107.04961	3.9
107.08594	45.0
109.06503	20.9
109.10159	100.0
110.10495	2.8
111.04429	2.7
111.08095	7.3
113.09656	3.6
117.06998	2.3
119.04964	4.2
119.08582	65.6
121.10139	19.2
123.04457	15.4
123.08076	18.1
123.11702	17.2
125.09625	9.0
129.06992	5.8
131.08568	6.1
133.06490	4.9
133.10129	72.4
135.10657	4.4
135.11691	88.0
137.06001	6.0
137.09590	22.4
139.11166	6.0
147.11665	11.7
149.09630	5.2
149.13264	8.9
151.07555	8.4
151.11179	13.2
151.14792	10.4
153.12820	2.6
155.08580	5.4
157.10088	4.4
157.12450	2.1
167.07076	5.3
175.11194	4.2
175.14830	48.0
179.07036	23.3
193.08617	6.2
193.10583	2.9
193.12158	15.5
193.15923	14.0
210.77681	2.5
211.07628	3.9
211.09509	5.0
211.11334	3.7
211.13133	5.3
211.14859	11.2
211.16882	5.3
224.16870	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03942	3.2
55.01875	3.5
55.05509	40.3
57.03441	3.8
57.07084	6.7
58.08118	2.6
67.05503	42.7
68.99495	2.6
69.00887	30.4
69.03445	6.7
69.07069	18.8
71.05000	19.0
79.05496	22.5
81.07056	71.7
82.07361	2.8
83.04987	14.2
83.08607	5.7
85.06543	50.1
91.05480	21.8
93.07046	58.9
95.04971	14.3
95.08607	100.0
97.06544	5.4
97.10196	3.8
99.04454	16.3
99.08109	14.1
101.06020	4.1
105.07030	57.5
107.08598	76.1
109.06517	8.9
109.10149	53.9
111.08092	7.6
113.09671	3.2
117.07040	3.4
119.08573	87.6
121.10146	20.5
123.08025	6.1
123.11703	16.7
125.09641	14.6
133.10135	63.6
135.11690	62.7
137.05959	29.0
137.09616	21.6
147.11685	11.4
149.13359	6.1
151.07602	3.5
151.11252	4.2
151.14726	4.3
155.10669	93.8
163.14806	24.0
175.14828	69.6
192.24767	3.0
193.04956	4.8
193.15862	34.2
211.13147	3.6
211.16891	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40716	0.5
59.01170	0.5
67.05490	0.6
68.05016	0.7
69.03081	0.9
69.03429	11.1
69.07061	2.0
70.78959	0.9
70.79294	1.0
77.00861	0.6
80.04997	0.8
82.06584	0.6
84.08138	6.6
84.12003	0.5
91.05466	2.3
97.02865	1.4
98.06047	5.3
101.00888	2.0
106.06568	0.7
109.56001	0.6
112.07600	84.8
113.07917	1.6
119.01942	3.5
119.04943	2.0
122.03691	0.8
122.04560	1.5
125.07085	1.0
137.02933	0.7
137.05991	3.1
140.05542	10.9
141.05727	0.6
143.01917	2.2
145.03445	0.7
147.04427	3.3
151.03816	0.6
152.05565	1.1
158.06624	75.7
159.06767	2.9
161.02983	2.4
162.06097	1.0
166.08559	1.1
170.06622	14.8
171.06712	0.6
173.05331	1.0
176.07683	42.5
177.07800	1.4
179.07040	0.9
185.05312	1.6
186.06129	0.9
188.07675	43.3
189.07822	2.3
194.06609	2.7
194.08185	1.6
195.04988	1.0
195.07632	1.1
200.07632	5.5
203.06320	0.7
212.07660	100.0
213.05986	0.5
213.07787	4.3
230.08728	79.5
231.08945	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31255	9.7
69.71220	38.4
88.00256	10.0
94.93026	17.2
115.48553	9.0
168.30946	8.8
169.34676	9.1
196.04945	10.2
212.85229	100.0
213.06293	10.8
221.55667	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0758
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.02934	0.6
53.03939	2.6
55.01860	1.1
61.02927	7.5
62.83123	0.6
64.75776	0.6
65.03937	7.7
67.05499	1.9
69.60810	3.2
79.05495	17.3
79.05960	1.0
89.03902	1.4
91.05480	4.4
93.03406	10.7
95.04983	2.7
105.03394	2.6
105.04530	1.6
107.04954	27.5
108.01382	0.7
108.02059	3.4
109.06536	0.8
110.03655	26.8
111.04447	7.7
117.03352	1.7
119.04932	0.9
121.06501	9.8
122.03644	6.6
123.04451	0.9
125.05991	58.5
126.06319	1.0
127.89540	0.7
132.34976	0.7
133.02849	12.6
135.04413	25.9
136.01653	0.9
137.05942	4.5
141.05481	2.7
149.05980	22.8
150.03116	11.2
150.06332	1.2
151.03914	100.0
151.05020	11.8
152.04314	1.7
153.05464	14.4
162.03148	2.1
163.03900	6.9
165.05481	34.8
166.05815	1.3
167.05910	0.5
167.07048	15.9
177.05472	17.9
178.05762	0.8
195.06508	13.6
213.07584	4.9
215.39874	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.076
Annotation	Ethyl 3,5-dihydroxy-4-methoxybenzoate
Peak:m/z	Relative Intensity
51.38210	0.4
53.03939	0.6
54.20718	0.4
55.01877	2.1
55.05506	1.4
56.05041	0.5
61.56754	0.5
63.02393	0.4
65.03941	3.5
67.05502	0.8
69.03452	1.1
70.06594	2.1
70.79681	0.6
73.02923	17.6
73.49529	0.4
79.05508	2.2
81.03406	1.5
81.07075	0.8
83.04990	1.7
84.05636	12.8
85.06496	0.8
90.03454	4.9
91.04231	0.6
91.05489	2.3
93.03429	0.8
93.07040	1.2
95.04971	1.4
96.02126	1.3
97.02883	0.8
100.99725	1.4
105.07011	2.3
105.57195	0.4
107.04968	3.2
107.08598	3.3
109.02884	6.0
109.06527	0.7
111.04430	1.5
119.04939	0.7
119.08582	3.5
121.06458	0.6
121.10134	1.4
123.04426	0.6
125.02383	1.2
125.06000	1.2
126.03127	2.5
127.01428	0.8
128.00781	88.4
129.01132	1.0
131.08556	2.0
133.07622	3.6
135.04413	2.1
137.05988	0.7
139.03925	2.7
140.04643	0.5
140.10750	0.5
141.05469	16.9
143.08517	0.9
146.01790	0.8
147.08055	2.1
149.09605	1.7
151.03951	0.9
152.04691	0.5
153.05473	2.0
155.08606	0.9
157.04985	11.2
159.08054	0.7
163.03906	1.6
165.05461	2.7
165.06769	0.5
165.09106	1.1
167.03404	83.5
167.04442	4.0
167.07045	4.3
167.10677	0.8
168.03801	1.8
171.04927	1.2
175.09802	7.8
177.05560	0.5
177.09106	1.3
181.04948	1.5
185.13301	0.7
195.06546	18.0
195.08359	0.9
195.10185	1.7
195.11726	1.1
196.04466	1.2
213.07185	100.0
213.12675	2.3
214.07217	0.9
214.08812	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0757
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
52.46099	0.8
53.03941	3.2
55.01860	1.1
56.56706	0.7
57.53236	1.0
61.02924	9.7
61.67669	0.8
65.03932	8.1
67.05502	3.7
68.39658	0.7
70.57243	1.5
70.73681	0.7
73.02908	2.3
77.03911	1.7
79.05495	20.0
89.03906	1.6
91.05491	4.4
93.03401	10.6
95.04964	4.4
105.03387	2.7
105.04516	1.1
107.04951	29.5
108.02102	3.0
109.02902	1.5
110.03656	26.3
111.04449	9.0
111.29220	0.8
117.03374	1.6
121.06492	9.5
122.03648	6.0
125.05991	64.4
126.06350	1.0
128.66599	0.8
133.02850	14.2
135.04417	31.1
137.05977	6.1
141.05437	5.5
149.05092	0.6
149.05972	23.2
150.03128	10.3
151.03912	100.0
151.05016	12.6
152.04292	2.2
153.05455	14.2
157.04997	1.0
162.03104	1.8
163.03888	6.7
165.05476	44.3
167.03386	9.3
167.07030	17.2
177.05478	19.1
181.05043	1.5
195.06535	12.8
213.07639	6.3
224.23347	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0757
Annotation	Danielone
Peak:m/z	Relative Intensity
53.00300	0.6
53.03943	2.4
55.01857	3.1
55.05510	1.7
57.03437	0.8
60.56087	0.6
65.03930	3.1
66.13174	0.6
67.05492	2.2
69.03409	2.0
69.07050	0.7
69.10492	5.1
70.06590	1.6
71.04981	0.8
73.02922	6.4
74.29111	0.7
77.03950	1.4
78.04698	2.4
79.05493	12.2
81.03398	0.7
81.07043	2.7
83.04976	2.4
83.42468	0.7
85.02886	0.9
89.03889	1.4
91.05466	9.3
93.07043	7.7
95.04972	9.6
97.02871	2.2
101.67679	0.6
103.05473	0.9
105.03413	0.9
105.04504	1.2
105.07030	12.5
106.04167	1.0
107.04951	69.0
107.07848	1.0
107.08594	18.3
108.05302	1.3
109.02868	2.3
109.06519	2.1
110.03658	1.9
111.04441	2.3
111.08076	0.7
113.06018	0.7
115.05460	1.0
117.07030	1.6
119.04938	0.8
119.08570	23.5
120.02100	1.0
121.06491	1.2
121.10144	8.5
123.04418	15.3
123.08070	1.6
124.05196	1.1
125.02354	9.2
125.05946	1.3
125.09621	0.9
126.03120	1.0
128.06213	0.8
129.06981	2.0
131.07678	1.1
131.08565	10.5
133.02840	1.0
133.06496	0.9
133.10127	1.5
133.41829	0.7
135.04411	21.5
135.08006	2.2
137.05971	2.8
139.03931	3.8
139.05438	0.8
140.04677	100.0
141.05521	5.5
141.06461	0.7
141.07047	1.5
142.07793	0.7
143.08507	0.9
145.03973	5.1
147.08051	9.8
149.05983	1.1
149.09607	12.6
151.03882	2.4
151.05017	0.7
151.11130	0.7
152.01115	0.7
152.04662	1.9
152.06113	0.6
153.05450	2.8
153.06911	0.6
154.06119	2.4
155.07024	56.7
156.07320	0.8
157.04938	2.4
157.06178	0.7
157.10086	0.9
159.08070	2.2
163.03897	52.0
164.04289	1.0
165.05431	1.2
165.06950	1.1
165.09103	10.3
167.03391	27.0
167.04485	1.3
167.07060	25.7
167.08566	3.1
167.10643	3.5
168.03763	0.8
171.07962	0.7
172.07166	2.8
173.08112	4.6
177.09091	10.1
179.05630	1.5
181.04938	2.3
185.05891	1.4
185.09557	0.7
185.13164	1.0
195.06516	11.5
195.08153	1.4
195.10175	9.5
195.11710	1.6
197.06729	2.1
213.05461	2.7
213.07564	8.5
213.09187	1.3
213.10931	7.2
213.12848	2.2
214.09290	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03969	2.2
55.01894	1.6
55.05532	2.5
57.03439	1.2
61.02927	1.4
65.03939	3.1
67.05506	3.5
68.99794	0.7
69.03448	2.4
69.07093	1.5
69.41283	2.6
69.41695	1.2
71.04996	1.0
73.02917	4.9
77.03928	1.0
77.64818	0.7
78.04720	0.9
79.05494	17.3
81.03413	1.3
81.07060	5.2
83.04996	2.5
85.02917	1.7
89.03935	1.1
91.05479	27.3
93.03402	0.7
93.07043	27.6
94.07356	0.6
95.04963	6.8
95.08612	2.0
97.02893	0.8
97.06544	1.9
99.04451	1.0
103.05483	2.3
105.04552	1.1
105.07029	43.5
106.04180	0.7
107.04956	32.1
107.08591	65.7
108.05282	1.2
108.08927	1.3
109.02897	1.5
109.06520	3.4
109.10182	1.5
109.88707	0.5
110.03674	1.1
111.04423	2.1
111.08119	1.3
113.05985	0.9
115.05461	1.8
116.06205	3.9
117.07011	4.1
119.08578	100.0
120.08917	2.2
121.02884	1.0
121.06487	2.9
121.10143	27.8
122.03603	0.6
122.09444	0.7
122.10457	1.1
123.04404	7.0
123.08060	4.0
123.11701	1.3
124.05233	0.6
125.02354	5.1
125.06001	2.1
125.09637	2.1
126.06348	0.6
128.06201	1.1
129.07008	4.2
131.08563	36.5
132.08881	1.0
133.02838	0.7
133.06490	4.1
133.07416	0.9
133.10107	5.2
135.04417	10.5
135.08063	6.1
137.05972	2.9
139.03917	3.5
139.07509	0.9
140.04681	42.6
141.05499	5.0
141.06990	1.4
143.08543	1.4
145.03932	1.6
147.08044	39.2
148.08319	1.0
149.05997	1.9
149.09616	32.5
150.03065	0.6
150.09966	1.1
151.03865	2.1
151.07549	0.8
151.11122	1.9
152.04678	0.8
152.06177	1.0
153.05493	5.7
153.09045	1.1
154.06113	1.7
155.07031	21.0
155.08348	1.1
157.04951	2.2
157.06342	0.8
159.06955	0.9
159.08064	9.4
163.03896	20.4
165.05476	1.4
165.09108	33.8
166.09427	1.1
167.03386	22.9
167.04605	1.1
167.07063	15.3
167.08519	2.8
167.10680	8.9
168.03824	0.6
171.08012	0.7
172.07159	2.2
173.08055	2.2
177.09106	30.3
179.05595	1.2
181.04918	1.5
185.05927	0.7
185.09604	0.6
185.13274	0.7
195.06525	7.8
195.08156	2.0
195.10149	27.6
196.10381	1.1
197.06657	0.9
213.05438	2.1
213.07472	3.8
213.09178	2.6
213.11111	20.4
213.12766	1.9
214.09232	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87832	0.4
53.03935	1.4
55.01868	1.0
55.05512	0.7
56.09356	0.4
57.03439	0.5
62.50297	0.3
65.03922	0.5
67.05498	0.9
69.03441	0.3
70.40998	0.9
72.08150	0.3
77.03921	0.6
78.04711	2.5
79.05489	9.0
81.03404	0.5
81.07037	1.3
83.08620	0.4
88.07642	0.5
91.05481	5.4
92.06315	0.4
93.07060	0.9
94.04198	0.6
95.04982	3.2
103.04780	0.6
103.05470	9.4
103.06136	0.7
105.03398	0.7
105.04515	0.6
105.07032	7.2
106.04191	1.7
107.04953	63.7
107.08601	1.6
107.62373	0.3
108.05295	1.0
109.06487	0.6
111.08105	0.3
115.05452	4.3
117.07008	1.7
119.04945	0.9
120.05761	2.4
121.06532	0.9
121.10172	0.5
122.03658	0.6
123.04428	6.7
123.08040	0.3
124.05215	4.3
125.05982	0.8
127.39089	0.3
128.06195	0.5
129.55766	0.3
131.04898	2.1
133.06522	1.0
134.03616	0.5
135.08049	15.5
136.08401	0.4
137.05980	1.6
139.03908	0.9
139.07547	0.5
141.07063	0.4
142.07777	0.4
143.08423	0.3
145.07581	2.0
147.04439	1.4
148.05206	0.5
149.05965	0.9
151.03842	2.0
151.07600	0.4
152.04721	2.4
153.05470	0.6
154.06219	2.5
157.06479	0.5
163.07539	26.2
164.07964	0.6
165.05493	0.9
165.06894	0.6
167.07037	100.0
168.07362	3.1
171.08054	0.4
171.11790	0.4
180.07819	3.1
181.08519	0.6
185.09645	0.5
195.06424	0.5
195.08293	0.8
195.10159	15.1
196.10513	0.6
213.05499	0.7
213.09103	0.3
213.11108	1.6
213.12794	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1122
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
51.02357	0.2
51.77298	0.2
53.03946	1.3
55.01873	1.1
57.03436	0.3
63.00061	0.3
64.32317	0.3
65.03949	0.6
69.18146	1.7
77.03938	0.6
78.04713	3.0
79.05492	8.9
81.03445	0.3
81.07048	0.7
91.05479	4.1
92.06278	0.2
92.37292	0.2
93.03405	0.4
93.07042	0.6
94.04185	0.4
95.04972	2.9
96.05733	0.3
98.22582	0.4
100.60205	0.3
103.05466	9.1
105.00563	0.3
105.03413	0.3
105.04507	0.8
105.07027	6.0
106.04182	1.8
107.04952	59.8
107.08585	0.9
108.05266	1.2
109.02876	0.3
109.06493	0.5
110.03637	0.4
111.04363	0.2
115.05456	3.9
117.07018	1.5
119.04947	0.5
120.05728	2.2
121.06527	0.6
122.03621	0.6
123.04436	6.6
124.05231	3.1
125.06033	1.1
127.24636	0.2
131.04922	2.5
133.02791	0.4
133.06474	0.7
134.03635	0.6
135.08054	14.4
136.08392	0.4
137.05986	1.4
139.03882	0.8
141.56169	0.2
144.11664	0.2
145.06563	0.5
145.07596	1.7
147.04385	1.4
148.05167	0.3
149.05978	0.9
151.03918	1.8
152.04678	2.4
154.06238	2.5
163.07538	26.8
164.07933	0.9
165.05470	0.8
167.07034	100.0
168.07372	2.3
180.07840	3.3
181.08533	0.4
195.10168	15.2
196.10350	0.5
213.09341	0.5
213.11211	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03948	1.0
55.01868	0.9
55.05523	0.4
58.06596	1.4
60.04532	0.5
65.03962	0.5
67.05513	0.9
69.03419	0.6
69.14292	0.4
70.06598	0.7
71.05011	0.5
78.04704	3.0
79.05494	9.0
81.03408	0.4
81.07063	1.1
88.07595	0.4
89.99761	0.4
91.05475	4.5
93.07035	1.2
95.04969	3.1
100.07674	0.4
100.83347	0.5
103.05463	9.0
105.03401	0.6
105.04489	0.7
105.07028	6.7
106.04176	1.7
107.04953	56.5
107.08607	1.5
108.05295	1.2
108.08894	0.6
109.06528	0.7
110.03671	0.5
115.05447	4.1
117.07031	1.3
119.04928	0.9
119.08601	0.6
120.05687	2.3
121.06477	1.1
122.03674	0.6
123.04431	6.2
124.05228	3.3
125.05982	1.5
128.10732	0.5
129.06999	0.7
131.04932	1.9
133.02863	0.6
133.06511	1.0
135.04419	0.6
135.08047	15.2
135.11658	1.0
136.12015	3.4
137.05975	1.4
139.03918	1.1
139.07562	0.5
143.08638	0.8
145.06577	0.5
145.07619	1.8
147.04419	0.9
149.05917	1.2
149.09650	0.4
151.03917	1.8
152.04695	2.7
154.06242	2.2
154.52872	0.4
155.08548	0.5
156.10165	0.5
163.07533	26.0
164.07904	0.5
165.05539	1.0
167.07036	100.0
168.07382	2.6
171.08099	0.5
177.09106	0.5
180.07864	2.6
180.09261	0.6
195.06509	0.6
195.10161	15.2
213.11194	1.8
213.12798	1.1
213.16797	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1122
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03938	2.0
54.04272	0.6
55.01867	2.3
55.05510	1.6
57.03442	0.8
65.03955	1.1
67.05503	2.2
69.03432	1.1
69.07066	0.8
70.06583	1.8
71.04985	0.6
71.11486	1.2
78.04699	3.0
79.05064	1.0
79.05498	13.7
80.78931	0.5
81.03409	0.8
81.07049	3.0
84.05598	0.9
85.02943	0.6
90.03439	0.6
91.05483	11.0
93.03389	0.8
93.07046	6.0
94.04172	0.7
94.09733	0.5
95.04972	4.8
95.08595	1.7
97.06506	0.6
98.97607	1.1
99.04494	0.8
103.05480	8.6
105.04529	1.1
105.07030	11.1
106.04170	1.2
107.04958	60.8
107.08602	9.1
108.05238	1.0
109.02889	0.7
109.06516	2.4
109.10215	0.6
111.04420	1.2
111.08079	1.1
115.05441	4.9
116.98618	0.6
117.07035	3.8
119.04945	2.2
119.08581	8.0
120.05726	2.0
121.06510	2.8
121.10142	4.3
123.04441	5.6
123.08043	1.1
124.05256	2.8
125.05992	1.3
125.09612	1.0
128.00774	7.4
128.06259	1.8
129.06992	1.7
131.04907	2.6
131.08586	3.4
133.06479	1.9
133.07501	0.9
133.10146	1.7
135.04457	1.4
135.07076	1.2
135.08061	16.4
135.11716	2.4
137.05986	1.8
137.09633	0.6
139.03902	1.0
139.07555	1.3
141.06996	1.3
142.07776	1.8
143.08588	3.8
145.06508	1.2
145.07610	1.8
147.04430	0.8
147.08119	2.9
149.06012	1.0
149.09596	5.2
151.03931	2.1
151.07549	0.9
152.04697	2.6
152.05946	0.6
153.05513	0.7
153.09019	1.0
154.06247	3.6
154.07693	0.5
155.08537	1.1
157.06496	1.3
157.10133	2.4
159.08105	1.7
163.07542	27.3
164.07918	1.0
165.05502	0.7
165.06984	0.9
165.09070	3.6
167.07047	100.0
168.07411	3.0
169.06479	0.8
169.10097	0.8
171.08060	3.0
171.11565	1.0
175.09740	0.9
177.09109	6.7
180.07915	3.4
180.09250	1.0
183.08055	1.0
185.09660	1.5
185.13271	2.7
195.08289	1.0
195.10168	15.8
195.11699	1.5
198.10445	1.7
213.05476	1.3
213.07173	7.4
213.09079	1.4
213.11169	6.7
213.12788	7.9
214.08824	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1274
Annotation	11,12-Dihydrolactaroviolin
Peak:m/z	Relative Intensity
51.33496	0.4
65.47945	0.3
71.32558	0.5
88.07629	0.6
91.05558	0.4
93.07020	0.4
93.08778	0.4
103.05444	0.5
105.07006	0.5
115.05441	1.3
119.08558	0.5
127.05461	0.4
128.06224	24.0
129.07024	3.2
131.08592	0.6
136.25012	0.4
141.06955	2.6
142.07784	4.5
143.08566	30.9
144.08917	1.3
145.06451	0.6
153.07001	0.7
154.07730	0.5
155.06067	1.2
155.08553	4.4
156.09369	0.9
157.06505	0.8
157.10139	2.3
158.07265	0.5
165.07028	1.4
167.08563	0.7
169.06517	1.6
169.10112	2.9
170.07353	0.8
170.10878	1.2
171.08063	15.2
171.11626	2.1
172.08598	0.5
173.19366	0.4
180.09314	1.1
183.08072	2.6
184.12459	0.5
185.06023	0.5
185.09674	0.8
185.13261	4.2
195.11659	0.7
197.09619	1.1
198.06747	0.9
198.10431	5.1
213.05499	1.5
213.12752	100.0
213.16290	3.9
214.13084	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
50.78692	1.9
53.03934	2.9
55.05510	18.5
55.45065	1.7
55.87161	2.0
56.42655	1.8
57.03424	10.9
57.07074	2.3
58.57108	2.0
62.42369	2.0
67.05504	66.5
69.03428	4.3
69.07068	20.3
71.04982	5.0
79.05499	37.2
81.07059	100.0
83.04987	7.2
83.08626	19.0
85.06549	4.3
88.07631	15.7
91.05476	26.1
93.07050	59.0
95.04987	5.6
95.08604	23.2
97.06525	11.1
97.10223	2.2
99.08095	2.5
99.60139	2.2
105.07027	10.9
107.08600	26.8
109.10163	3.7
111.08120	7.8
116.02509	2.0
117.07040	9.6
121.10158	14.6
123.11706	4.0
128.24083	2.0
129.07018	4.9
131.08594	10.0
131.16064	1.9
133.10164	12.3
135.11699	12.6
142.07751	3.9
143.08545	4.9
149.13246	29.2
151.11211	2.5
153.06911	3.1
155.08517	3.3
156.09492	2.3
157.10133	7.5
159.11690	12.3
165.07033	4.8
167.08435	2.2
171.08052	4.1
171.11665	3.6
177.12796	2.4
180.09349	6.6
184.37885	2.2
185.13216	4.5
195.11772	3.1
195.13805	6.9
198.10327	4.1
213.09073	5.9
213.12802	18.5
213.16306	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03941	2.6
55.01871	17.1
55.05512	79.5
57.03425	1.7
57.07055	2.1
59.04988	2.7
67.05186	1.8
67.05507	27.9
69.03429	11.1
69.07073	15.2
69.88637	1.3
71.04993	71.9
71.31593	1.6
71.74434	1.0
77.40106	1.3
79.05067	1.4
79.05492	20.7
81.03404	1.9
81.07056	32.4
83.04979	6.2
83.08619	47.3
85.06539	7.9
87.04472	10.5
88.07569	1.3
91.05492	8.1
93.07039	18.0
95.04939	1.7
95.08606	11.2
97.06533	100.0
97.10171	69.3
97.10842	1.4
98.06883	1.5
98.10477	1.5
101.06005	1.8
101.09654	2.7
105.07013	4.8
107.04958	1.6
107.08592	22.3
109.06496	2.1
109.10155	16.1
111.08052	4.8
113.09644	2.6
117.07010	5.1
121.06483	2.1
121.10125	3.6
123.08128	1.3
125.08736	2.4
125.09628	40.0
126.09906	1.2
131.08524	6.1
133.10101	4.2
135.08058	7.4
135.11726	5.7
142.07771	2.0
143.08577	2.6
143.10577	1.5
149.13229	4.5
151.03935	2.7
153.06941	1.2
153.09071	2.7
153.12685	1.3
155.08502	2.3
157.10103	3.1
159.11674	4.6
159.15866	1.3
165.06953	2.5
167.14284	1.2
170.10954	2.1
171.08008	1.7
171.11678	2.2
172.08871	1.5
177.12773	5.9
185.09695	1.8
185.13185	1.5
189.11223	7.1
195.11884	2.7
195.13789	41.5
198.06747	1.9
198.10426	1.7
203.95233	1.2
213.09354	6.3
213.12761	13.1
213.14822	99.2
214.15175	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1848
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
55.01865	3.6
55.05510	10.9
57.07060	2.4
63.03825	0.9
64.46658	0.9
67.05492	3.4
69.03423	2.3
69.06729	1.5
69.07069	19.2
69.47033	3.5
69.47444	2.2
71.04987	3.6
71.36217	0.8
79.05493	7.5
81.07056	18.4
83.08619	10.8
85.06548	4.1
91.05471	2.9
93.07046	16.0
95.08606	41.9
97.06545	0.9
97.10147	7.7
99.08090	34.6
105.07025	4.5
107.04904	0.9
107.08591	39.1
109.10162	10.1
111.08076	16.6
113.09657	4.3
119.08565	1.7
121.10136	65.8
122.05465	0.9
122.10465	1.1
123.11665	1.5
125.09613	6.2
125.13235	0.9
133.07608	0.8
135.11694	12.7
137.13243	10.3
139.11180	2.7
147.79195	0.8
149.13264	4.4
157.10100	1.1
157.76508	0.8
158.34129	0.8
167.07053	1.0
177.16382	100.0
178.16670	3.2
179.27344	0.8
195.17453	13.9
197.23773	0.8
209.08119	0.8
213.05461	1.2
213.09180	1.7
213.12700	1.9
213.16562	1.9
213.18451	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.6
55.01863	5.1
55.05507	12.9
57.07072	3.7
59.20189	1.1
67.05498	8.2
69.03416	4.0
69.07069	20.1
71.04996	7.4
71.08643	1.4
71.29733	1.2
75.39797	1.1
79.05489	10.0
81.07056	24.3
83.04974	1.4
83.08625	12.5
85.06549	5.0
91.05472	4.7
93.07048	19.2
95.04969	1.6
95.08605	39.0
97.06505	1.5
97.10159	9.2
99.08089	35.8
105.07021	6.6
107.08589	39.1
109.06551	2.3
109.10150	18.8
111.08071	21.3
113.09615	4.2
119.08581	2.1
121.10141	68.8
122.10519	1.8
123.11707	2.9
125.06000	2.0
125.09603	6.2
127.11195	1.5
128.06232	2.9
129.06992	2.3
135.07986	1.2
135.11676	14.8
137.09541	1.2
137.13255	10.0
139.11157	2.7
142.07776	4.1
143.08530	4.6
145.06445	1.6
149.09581	1.6
149.13257	4.6
153.06984	1.5
153.12730	2.2
154.06116	1.3
155.08542	3.7
156.09328	2.9
157.06516	1.6
157.10144	6.0
165.07013	3.8
167.07138	1.8
167.08542	2.4
169.53253	1.3
170.10843	1.4
171.08040	3.9
171.11765	2.2
172.08804	7.0
177.16382	100.0
178.16705	4.7
179.48358	1.0
180.09406	2.8
181.04993	2.0
183.08083	4.3
185.09641	7.5
185.13237	4.9
195.11668	3.2
195.13744	1.4
195.17438	17.9
198.10393	6.8
213.05537	3.1
213.09146	8.1
213.12761	27.3
213.16515	1.7
213.18460	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	0.8
60.92436	0.5
69.03425	0.9
69.07066	7.5
69.70876	2.6
70.06595	1.6
72.08160	0.9
73.06557	1.7
77.00906	0.6
82.99838	2.9
84.08134	1.4
86.09704	100.0
87.10059	1.4
97.06533	10.2
100.02469	1.9
101.00880	32.5
102.01012	1.0
105.55235	0.7
106.54545	0.5
108.12727	0.6
112.02457	1.1
112.07604	1.5
113.00926	1.0
115.02439	0.6
118.03524	9.5
118.04304	1.0
119.01917	93.4
120.01984	3.6
120.62994	0.6
121.01615	1.1
125.04547	0.7
126.07722	0.7
130.03479	2.9
131.01906	7.0
132.05052	1.7
133.03491	1.1
134.03134	0.7
136.04561	1.9
137.02954	27.1
138.03021	0.6
142.03508	1.1
144.05026	3.3
144.08713	1.9
145.03528	1.3
149.02946	2.4
150.06133	0.9
150.96980	0.8
154.03482	2.1
155.05557	1.9
160.06393	1.3
161.02928	1.2
162.06210	0.8
162.09747	2.4
168.08688	3.3
172.04535	4.4
173.02957	1.8
173.04521	0.6
173.06567	3.0
174.06056	0.7
186.09753	66.4
187.04480	1.2
187.09918	3.7
190.05556	1.7
190.07233	0.6
191.04041	3.0
191.07625	2.4
196.08145	1.8
197.02953	0.6
197.06570	4.2
204.10803	29.9
205.11052	2.0
208.96019	0.8
209.11418	1.1
214.05847	1.2
214.09235	29.4
215.03970	0.9
215.07632	5.9
215.09508	1.4
232.10289	68.2
233.05179	1.0
233.08640	2.6
233.10645	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0703
Annotation	4,4'-Dihydroxybenzophenone
Peak:m/z	Relative Intensity
53.03945	0.2
55.01873	0.9
55.05499	0.2
65.03934	0.9
67.05508	0.2
68.99791	5.7
69.03423	0.2
69.68179	0.2
69.68584	0.5
71.01347	0.3
79.05482	0.3
81.03403	0.4
81.07043	0.3
88.13519	0.1
91.05489	1.8
92.96741	0.1
93.07037	0.3
94.04160	0.3
94.82664	0.1
95.01332	0.3
95.04971	0.3
95.08589	0.2
103.05463	0.6
105.04510	0.2
105.07029	0.5
107.04954	10.0
108.05284	0.2
111.04429	0.3
113.32287	0.1
115.05451	2.4
116.06267	0.2
117.07025	1.7
119.04951	1.1
119.08572	1.2
121.02854	0.8
121.06513	0.2
128.06209	0.5
129.07013	0.7
130.07756	0.2
131.04935	2.7
131.08560	2.0
133.10112	0.2
139.05424	0.2
141.06987	10.4
142.07372	0.2
143.08534	0.3
144.05708	1.7
145.06490	2.7
145.10159	1.0
147.04405	4.5
147.08040	2.9
152.06213	0.2
153.06979	0.2
154.07805	0.2
155.04893	0.3
155.06010	0.5
155.08559	0.3
157.06471	0.5
157.10123	0.4
159.08040	2.2
159.11676	0.3
161.02414	0.4
168.05721	0.6
169.06482	10.5
169.10115	0.3
170.07011	0.2
172.05167	0.1
172.08804	0.1
173.02356	0.6
173.05992	2.1
173.09619	1.0
173.13228	0.2
182.10912	0.2
185.05986	1.1
186.03117	0.2
186.06633	0.2
187.03928	0.3
187.07553	3.0
187.11198	0.2
187.14824	0.4
195.05571	0.2
197.05974	12.7
197.13243	0.6
198.06477	0.6
200.04752	0.7
200.08310	0.3
213.05435	1.3
214.06229	0.2
215.07027	100.0
215.14102	2.3
216.07378	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1067
Annotation	Tetradehydrochromoarnottione
Peak:m/z	Relative Intensity
51.02383	1.9
53.03931	3.5
55.01875	11.3
55.05503	2.4
65.03943	2.4
67.05499	3.0
69.28069	9.9
70.69515	1.2
79.05500	7.1
81.03406	2.7
81.07040	3.0
83.04969	2.1
85.02882	3.8
91.05476	21.1
93.07044	7.7
95.04945	5.8
103.05452	11.7
105.04496	1.6
105.06381	1.9
105.07035	23.7
107.04942	8.6
115.05452	19.1
116.06199	3.5
117.07015	45.3
119.04934	1.5
119.08614	7.8
121.06508	2.2
123.04390	1.4
127.05428	2.4
128.06223	80.1
129.07014	40.9
130.07829	9.2
131.04910	14.0
131.08574	27.9
132.07292	1.3
133.06480	2.5
141.06989	31.6
142.07791	8.9
143.08559	72.7
144.05638	5.0
144.09366	14.1
145.06471	25.9
145.10129	24.2
146.07188	2.4
147.08006	1.6
152.06255	2.8
153.06989	14.2
154.07765	36.3
155.04906	1.6
155.06050	9.6
155.08553	27.9
156.09348	16.9
157.06490	7.4
157.10028	5.7
158.07280	13.9
158.10895	9.8
159.04387	4.5
159.08058	15.2
159.10425	1.9
159.11697	38.2
160.05147	4.3
161.09586	1.6
165.07008	2.2
167.08528	5.6
169.10127	65.7
170.07280	1.6
170.10634	4.1
171.08057	59.5
171.11682	9.9
172.08813	22.4
173.05930	6.1
173.09636	13.5
179.08597	7.9
181.06418	3.8
182.07246	11.6
185.09648	2.5
186.10405	17.3
187.07523	2.1
187.11177	61.9
188.11554	2.1
197.09616	22.1
200.08295	3.4
215.08543	19.6
215.10626	100.0
215.13921	3.4
216.09111	3.5
216.11041	3.8
226.21301	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44119	0.7
55.05500	3.8
57.07062	2.6
67.05508	7.3
69.07068	6.5
71.30702	1.0
72.41914	0.8
74.09702	2.6
77.03906	0.8
79.05482	6.8
81.06651	1.2
81.07060	14.9
83.08620	1.8
91.04955	1.2
91.05475	9.2
93.07039	11.0
95.04944	1.1
95.08609	13.9
97.10155	1.2
103.05503	1.2
105.07028	22.7
106.91677	0.8
107.08596	18.1
109.10148	7.3
115.05437	2.0
116.06243	1.4
117.07020	10.5
119.08576	24.0
121.10137	14.9
123.11697	2.2
128.06216	1.5
129.07019	4.1
130.07803	2.0
131.08566	29.1
133.10121	14.3
135.11667	4.7
137.07092	1.2
141.06993	2.9
142.07787	2.3
143.08569	3.9
144.09351	5.6
145.06490	2.2
145.10121	46.4
147.11726	4.9
153.06964	1.7
154.07741	1.5
155.08557	7.8
156.09363	1.3
157.10146	6.0
158.10898	3.1
159.08066	2.4
159.11693	58.3
160.12196	2.9
167.08582	0.8
169.10135	3.6
171.08003	1.0
171.11635	4.8
172.08842	1.3
172.12524	1.9
173.09639	3.2
173.13263	36.4
174.13672	1.1
179.08281	0.9
182.10863	1.6
185.13278	1.6
186.10457	1.5
187.11203	7.3
187.14839	10.9
197.09496	0.8
197.13226	1.6
200.11919	1.2
215.08551	6.3
215.10677	5.9
215.14536	20.9
215.17944	100.0
216.18214	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1594
Annotation	Ethyl 3-(N-butylacetamido)propionate
Peak:m/z	Relative Intensity
55.01873	0.9
55.05509	2.8
55.94458	0.3
57.07065	1.5
67.05508	0.6
69.03428	0.6
69.30578	1.9
69.30991	0.6
73.02905	0.9
79.05504	0.4
81.07077	0.6
83.04984	4.7
85.06584	0.3
86.06071	1.2
86.09707	100.0
87.10036	1.2
89.06068	0.6
91.05476	0.8
92.05788	0.3
93.07037	0.6
95.04987	0.5
95.08633	0.7
99.04440	0.5
101.06009	2.1
102.46869	0.3
105.07024	2.2
107.08606	0.6
111.04443	6.0
113.06034	0.7
116.10745	1.1
119.08599	0.9
121.10130	0.8
127.07570	0.8
128.06204	0.9
128.10719	49.7
129.05534	0.7
129.07072	0.8
129.11038	0.7
131.08592	0.7
132.08876	0.4
133.10130	1.0
142.07393	0.4
143.08508	0.7
144.08954	0.5
145.10075	0.7
146.06836	0.4
153.06645	0.4
155.07025	7.3
155.08128	0.6
156.08911	0.8
157.10027	1.0
159.11685	1.5
161.09608	0.6
161.13181	0.5
170.11765	45.9
171.11986	1.2
172.08447	0.5
173.08096	3.1
173.13280	0.4
174.09953	0.5
174.14890	7.0
187.10735	0.5
188.11546	0.9
194.05286	0.3
198.09943	0.8
199.14803	0.9
202.07753	1.7
215.08514	2.0
216.09181	4.2
216.11063	1.9
216.15952	0.9
217.10548	3.8
217.15913	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1588
Annotation	(+)-Anhydro-beta-rotunol
Peak:m/z	Relative Intensity
53.03922	0.8
55.01875	0.9
55.05510	16.8
57.07074	9.5
59.04997	1.2
67.05503	13.2
69.03419	1.7
69.07063	4.4
69.18045	3.6
69.18451	1.2
70.06593	15.5
71.08629	6.1
73.02887	0.8
74.06062	0.6
79.05499	2.0
81.07051	8.8
83.04981	21.9
83.08624	2.2
84.05288	0.7
85.06530	1.9
87.04477	1.9
88.07629	20.5
89.02365	1.4
89.06025	3.3
91.05486	6.4
93.07044	6.5
95.04927	1.3
95.08603	6.7
97.06509	0.6
98.23335	1.6
99.04465	1.3
101.06013	8.3
102.09177	5.9
103.05480	0.7
105.07030	16.6
106.07386	0.7
106.08669	10.1
107.04963	2.0
107.08591	7.1
109.06531	3.3
109.10155	24.1
111.04443	28.2
111.08105	1.5
113.06016	3.4
117.06994	2.4
119.08575	8.9
121.06503	22.7
121.10146	3.6
121.84794	0.6
123.08074	2.1
127.07576	3.9
128.06224	2.1
128.57060	0.6
129.05481	5.0
129.07002	3.7
131.08562	10.1
131.99237	0.6
133.06499	3.0
133.10130	9.6
135.08044	6.2
135.11684	1.4
137.06070	0.9
141.06943	1.3
142.07791	3.6
143.08568	8.1
144.09367	0.8
145.06491	0.9
145.10103	5.1
146.07292	3.7
147.08041	7.7
147.11713	4.8
155.07024	37.7
156.05719	1.1
156.07298	1.4
157.06468	0.7
157.10129	10.4
159.08087	1.5
159.11697	8.5
160.08847	1.7
161.09616	41.1
161.13263	1.8
162.09959	0.8
169.10165	1.0
171.11678	3.0
172.07346	0.6
173.08089	20.0
173.09584	1.4
173.13297	4.0
174.06767	0.8
174.08519	0.7
174.09970	0.9
174.18478	1.6
175.07593	1.8
175.11189	10.2
175.14819	1.9
189.12749	0.9
189.16339	3.6
199.09584	1.2
199.14818	10.2
200.20107	9.2
204.26727	0.6
217.08606	4.5
217.10698	17.0
217.12590	1.4
217.15871	36.8
218.21147	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1588
Annotation	(S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone
Peak:m/z	Relative Intensity
53.03928	0.9
55.01868	1.8
55.05513	14.6
57.07062	1.8
59.05005	13.6
67.05518	4.8
69.03426	2.0
69.04003	10.3
69.07082	9.1
69.77592	0.9
71.05003	8.2
73.02842	0.8
73.06560	5.5
74.28020	1.3
75.04106	0.9
79.05494	5.1
81.07057	14.4
83.04983	10.8
83.08616	3.0
85.06503	1.1
87.04485	1.3
89.02409	1.1
89.06031	1.5
91.05478	12.4
93.07058	5.9
95.04951	1.7
95.08597	7.7
97.06510	1.2
98.23361	2.0
99.04527	1.1
101.06026	2.5
105.07031	54.7
106.07331	1.1
107.08617	7.8
109.06512	9.1
109.10141	4.4
111.04437	12.4
111.08025	1.2
113.05959	1.9
115.05450	3.1
117.07008	10.9
119.04931	1.5
119.08585	26.0
121.06512	2.0
121.10179	5.7
123.08063	4.0
127.07534	1.7
128.06213	6.1
129.05505	1.8
129.07039	8.0
130.07780	6.5
131.08571	32.0
132.08894	1.2
133.06490	2.4
133.10136	19.5
135.08043	3.2
136.08836	1.2
141.06992	2.7
142.07777	21.8
143.08566	19.2
144.09348	5.5
145.10124	100.0
146.10541	3.7
147.08052	88.9
147.11679	11.4
148.08408	2.1
149.09654	1.2
155.05890	1.5
155.07042	19.8
155.08400	2.1
156.09322	5.8
157.10126	48.6
157.11433	2.3
158.10654	2.1
159.08066	3.8
159.11699	47.4
160.12067	1.7
161.05948	2.1
161.09636	11.5
161.13217	2.7
169.10135	1.3
170.10873	2.3
171.08081	2.1
171.11703	13.5
173.08147	8.5
173.09503	2.0
173.13271	6.9
174.10454	5.0
175.11191	17.3
175.14859	3.4
176.11696	1.1
184.12543	3.1
187.11075	1.3
189.12715	1.1
189.16373	17.7
199.09593	1.6
199.11192	1.7
199.14830	25.7
202.07852	6.6
203.08389	1.8
216.08984	1.1
217.10426	13.0
217.12311	7.9
217.15869	69.6
218.10565	1.1
218.16292	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1588
Annotation	Orobanone
Peak:m/z	Relative Intensity
53.03938	0.7
55.05272	0.5
55.05512	6.2
57.07081	2.4
57.30945	0.5
59.04985	1.1
59.49035	0.4
67.05511	2.1
69.03432	2.1
69.04424	1.8
69.04855	2.2
69.07076	2.7
73.02885	0.6
77.32764	0.4
79.05499	1.4
81.07045	2.0
83.04986	7.0
85.42536	0.4
86.73624	0.4
87.04469	0.8
89.02396	0.7
89.06019	0.8
91.05476	3.1
93.07029	1.9
95.04969	0.9
95.08580	1.8
97.06516	1.0
99.04485	0.6
101.06041	2.4
105.07030	12.3
107.08587	2.6
109.06525	1.4
111.04453	8.5
111.08099	0.6
113.06017	1.2
115.05452	0.4
117.06995	1.1
119.04914	0.7
119.08578	6.1
121.06506	1.4
121.10139	2.2
123.08046	1.0
127.07547	1.3
128.06215	4.0
129.05470	1.9
129.06999	3.4
130.07816	0.5
131.08575	5.7
133.06461	1.5
133.10143	5.4
135.08035	1.7
137.05965	0.6
141.07027	1.1
142.07780	9.5
143.08566	12.1
145.06477	1.3
145.10130	3.9
146.07283	1.8
147.08064	3.8
147.11653	2.9
148.08836	4.9
149.09558	0.8
155.07039	12.1
156.09306	1.4
157.10126	21.7
157.11427	1.1
158.07167	0.4
158.10493	1.2
159.08054	6.8
159.11714	3.1
160.08830	2.4
161.09619	24.6
162.10175	0.7
169.09969	0.6
171.11639	2.1
173.08089	5.8
173.09622	2.1
173.13287	1.1
174.10399	7.8
175.11192	16.7
175.14822	1.3
184.12413	0.8
187.11226	1.2
189.12743	4.4
189.16434	1.4
199.14821	1.5
199.45776	0.5
202.13542	2.0
217.10849	4.4
217.15877	100.0
218.16216	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1587
Annotation	(+)-Anhydro-beta-rotunol
Peak:m/z	Relative Intensity
53.03946	2.8
55.01863	3.2
55.05510	20.4
57.03441	1.2
58.92119	1.0
59.04995	1.6
63.36163	0.9
65.03929	6.3
65.15100	0.9
67.05505	11.6
69.03413	2.0
69.07063	7.3
69.11754	5.3
69.12180	4.2
79.05492	20.9
81.07053	46.4
83.04478	2.4
83.04980	44.9
83.08603	2.4
84.49509	0.9
85.06546	2.8
87.04461	2.2
88.79720	1.1
89.06023	1.8
90.72770	1.1
91.05480	24.8
93.03397	10.8
93.07043	33.1
93.07627	2.1
95.04961	4.1
95.08607	16.3
97.06516	3.7
101.06023	3.9
103.05471	1.2
105.07024	29.8
106.07352	1.2
107.04970	1.7
107.08594	43.5
109.06501	12.7
109.10169	5.9
111.03696	1.6
111.04449	20.1
111.08076	9.6
113.05943	1.9
115.05428	2.1
116.06212	1.2
117.07003	6.3
119.04974	1.2
119.06061	2.3
119.08582	33.4
121.06480	3.4
121.10143	19.1
123.08067	3.2
127.07574	1.8
128.06204	3.3
129.05452	4.2
129.06996	8.8
130.07745	1.3
131.08574	17.7
133.06471	4.0
133.10136	17.2
135.08052	57.4
135.11679	1.7
137.09621	1.4
141.89708	1.2
142.07809	5.7
143.08543	13.4
144.09348	2.1
145.10126	8.2
146.07164	1.2
147.08054	6.9
147.11697	10.0
149.09581	6.6
155.07021	23.2
155.08348	1.6
156.07410	1.2
156.09338	2.5
157.10106	19.1
158.10774	2.0
159.11682	23.6
161.09608	14.5
161.13278	1.9
162.10281	1.1
169.10127	1.9
170.10832	2.2
171.11687	6.9
171.49925	1.2
173.08134	11.5
173.09512	1.7
173.13258	10.1
174.10379	1.7
175.11168	10.7
175.14806	7.7
188.11948	1.7
189.12596	1.6
189.16408	4.3
199.14792	19.4
217.08762	2.2
217.10655	11.3
217.15875	100.0
218.16222	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1587
Annotation	(+)-Anhydro-beta-rotunol
Peak:m/z	Relative Intensity
53.03941	3.6
55.01874	3.6
55.05512	43.0
57.07080	1.3
59.04990	5.0
65.03935	6.1
67.05503	12.2
69.03424	7.2
69.07073	7.7
69.43937	7.2
73.02908	3.0
79.05487	18.7
81.07056	40.5
82.07919	1.4
83.04978	76.3
83.08616	4.4
84.05288	1.9
85.06550	5.1
87.04446	4.8
89.02400	6.7
89.06024	7.9
91.04959	2.3
91.05480	25.7
93.03400	10.9
93.07038	20.5
95.04961	5.0
95.08610	14.0
97.06512	2.3
99.04444	5.2
101.06015	21.1
105.07032	41.9
107.04940	2.2
107.08594	39.0
109.06520	9.9
109.10149	6.2
111.04436	68.7
111.08079	6.1
113.05994	8.5
117.07016	8.6
119.04953	2.5
119.06053	1.5
119.07772	2.3
119.08582	30.8
121.06502	3.3
121.10152	14.9
123.08057	2.9
127.07560	10.3
128.06215	5.6
129.05489	12.1
129.06982	8.4
131.08571	20.0
133.06487	5.0
133.10132	20.8
135.08055	44.4
137.05956	2.8
137.09604	2.4
142.07774	9.5
143.08548	15.1
144.09346	3.2
145.06442	1.9
145.10112	12.0
146.07234	1.9
147.08057	7.9
147.11700	8.9
149.09653	6.0
155.07027	93.1
156.07298	2.1
156.09346	5.0
157.10120	22.9
158.10847	1.7
159.08104	2.3
159.11691	20.4
161.09622	14.1
161.13269	3.4
162.10408	1.8
169.10098	2.1
170.10988	2.3
171.11707	7.8
173.08112	46.4
173.09593	3.0
173.13234	8.9
174.08334	1.3
174.10417	2.9
175.07536	1.5
175.11223	9.8
175.14822	8.1
184.12573	2.2
188.11880	1.7
189.08992	1.3
189.12782	3.0
189.16347	7.6
195.09821	1.7
199.09648	4.9
199.14830	18.4
217.04936	2.6
217.08755	2.1
217.10675	41.1
217.12308	5.8
217.15871	100.0
218.10999	1.6
218.16165	2.6
218.21176	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1588
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
51.05977	0.6
53.03943	1.7
55.01880	1.2
55.05514	14.5
57.03445	0.9
57.07081	0.8
59.04993	1.6
67.05502	6.4
69.03411	2.4
69.07069	4.3
71.04996	1.0
79.05497	5.5
81.07058	10.2
83.04984	17.7
83.08611	2.2
85.06544	1.8
87.04458	2.0
89.02380	1.4
89.06027	2.5
91.05489	9.2
93.07050	12.5
95.04969	2.1
95.08612	10.8
97.06524	2.8
98.23357	1.3
99.04430	0.7
99.82800	0.6
101.06023	5.2
105.07030	23.5
106.24208	0.7
107.08602	32.5
108.08942	0.8
109.06525	11.2
109.10155	6.1
111.04449	23.4
111.08083	6.6
113.05990	2.6
115.05353	1.0
117.07016	4.0
119.04868	0.9
119.06184	0.7
119.08587	22.2
119.61733	0.7
120.08900	0.7
121.06508	6.9
121.10148	6.9
123.08083	5.4
125.09606	0.8
127.07588	2.9
128.06204	3.9
129.05486	3.4
129.07004	5.6
130.07768	1.0
131.08574	10.1
133.06448	1.1
133.10138	16.6
134.10480	0.8
135.08052	5.8
135.11661	1.4
137.09590	1.6
141.06998	1.3
142.07774	6.2
143.08568	12.4
144.09367	3.5
145.06429	1.0
145.10133	14.5
146.07259	1.9
147.08064	8.9
147.11684	6.8
149.09633	1.8
155.07042	28.9
155.08318	1.0
156.07385	0.9
156.09348	2.4
157.10133	19.8
157.11433	1.1
158.10785	1.0
159.08026	1.4
159.11702	23.5
160.08913	0.9
160.12086	0.6
161.09622	26.0
161.13249	5.1
162.10414	3.8
163.11086	0.7
166.41605	0.6
169.10123	1.7
170.10910	2.0
171.11685	5.7
173.06680	1.3
173.08113	15.4
173.09543	0.8
173.13264	5.1
174.10454	1.1
175.07533	2.6
175.11179	12.2
175.14798	4.6
183.89735	0.6
184.12500	1.6
187.14789	0.8
188.11882	0.7
189.12769	1.1
189.16380	5.6
199.09671	1.6
199.14821	20.3
200.15114	0.9
217.08667	1.7
217.10703	13.7
217.15878	100.0
218.16211	3.7
218.21104	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1587
Annotation	(+)-beta-Cuparenone
Peak:m/z	Relative Intensity
51.52799	0.8
55.01869	1.3
55.05511	15.2
57.07063	3.7
58.84308	0.9
59.05008	4.6
67.05497	5.3
69.03412	1.5
69.07069	22.8
69.89088	1.2
69.89424	4.2
73.06564	0.9
79.05492	2.7
81.07057	7.3
83.04984	16.8
83.08606	2.9
85.06546	4.0
87.04465	2.0
89.02380	1.0
89.06013	2.7
91.05475	8.2
93.07042	5.3
94.96873	0.8
95.04924	1.1
95.08611	5.2
97.06533	2.2
99.04457	1.0
101.06020	6.4
105.07029	30.7
107.08595	7.6
109.06512	2.5
109.10143	1.9
111.04441	25.9
111.08058	1.8
113.06027	2.7
114.15337	1.0
115.05409	1.4
117.07018	6.0
119.04954	2.0
119.08581	25.1
121.06498	1.6
121.10146	3.2
123.08060	1.9
127.07552	3.7
128.06230	4.7
129.05505	4.2
129.06996	8.0
130.07738	1.2
131.08568	25.0
133.06531	1.2
133.10129	11.3
135.08075	1.7
135.11691	3.3
137.09628	2.1
141.07010	3.3
142.07770	26.6
143.08578	16.1
144.09357	6.1
145.10110	8.1
146.07283	1.1
147.08040	6.9
147.11673	6.8
148.08771	1.8
149.09628	4.0
155.07051	33.9
155.08508	5.0
156.09334	14.9
157.10126	100.0
158.10501	2.8
159.08041	2.0
159.11696	44.1
160.12247	1.3
161.09615	11.1
161.13261	2.1
169.10126	3.4
170.10922	11.7
171.11691	37.0
173.08089	17.8
173.13240	12.2
174.08421	1.4
175.11244	12.1
175.14844	10.1
184.12463	4.4
189.16393	8.9
199.07779	1.2
199.09576	2.3
199.14816	30.5
217.08684	1.4
217.10703	14.8
217.15878	75.7
218.16222	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60416	28.0
60.76827	28.3
64.91448	26.3
71.29485	39.5
101.15557	31.3
106.17463	27.8
119.01999	39.1
127.46830	30.6
147.50082	25.6
149.33882	26.8
177.02489	34.3
219.02609	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.05
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87983	1.3
55.01864	5.3
55.05499	2.3
59.04990	3.7
60.99543	1.4
61.02929	7.5
68.99801	7.2
69.03423	3.7
69.07044	1.7
69.73211	1.2
69.73547	7.0
71.01356	100.0
71.05832	1.4
73.02902	4.1
75.04484	19.9
81.07054	1.7
83.04951	1.5
84.08133	2.8
85.02901	4.5
86.09698	3.7
87.04454	1.5
93.07008	2.0
97.02900	3.3
98.03615	1.3
98.97569	2.1
99.00802	4.0
101.00870	9.5
101.02372	9.1
103.00622	2.5
103.03940	27.0
111.00790	10.3
113.00845	1.8
113.02360	6.7
116.98588	1.6
117.01842	9.2
119.01923	26.8
119.08577	3.4
120.01978	2.2
121.01689	7.6
121.10154	3.1
127.00273	11.2
129.01862	4.3
131.01993	7.5
131.03404	67.2
131.08568	1.6
133.04941	4.2
133.10095	3.4
137.02966	6.3
139.02699	1.3
141.01810	5.8
142.02579	3.7
143.03380	2.0
145.01340	8.9
145.04955	5.8
145.10132	2.6
147.03209	5.8
149.02992	2.1
150.21793	1.5
157.04959	13.1
157.07593	1.7
159.02895	61.8
161.02913	2.1
161.09502	2.1
161.13293	1.9
171.17604	1.2
173.02930	3.6
173.04352	1.8
175.14795	2.3
177.00977	7.2
177.02444	3.1
177.04288	3.5
191.03931	1.9
191.05602	1.4
193.03783	3.0
195.01662	1.3
195.03673	1.7
195.05353	6.0
196.05005	1.4
201.00795	1.4
201.02446	13.3
203.14288	17.6
205.15895	2.2
213.06206	1.4
215.03830	2.1
219.01712	21.2
219.03545	11.4
219.05399	2.1
219.17422	59.7
220.02014	3.3
237.06483	2.5
238.05879	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16634	0.7
55.01871	5.7
55.05491	1.5
59.04989	0.9
60.64440	0.6
61.02608	1.0
61.02926	20.9
68.33865	0.7
69.22126	3.4
69.22532	1.7
71.01354	42.0
75.04479	59.2
83.04984	0.8
85.02880	0.8
87.04468	18.8
89.02393	9.3
90.05552	1.4
93.07036	1.1
95.08614	0.8
97.12786	0.6
101.05981	1.0
103.03940	73.2
105.07044	1.3
107.08616	1.2
119.08604	1.7
121.10173	0.8
131.03394	13.7
133.10135	1.6
135.08049	2.4
145.10109	1.2
159.02887	100.0
159.11722	0.7
160.03239	1.3
161.04483	1.4
161.09550	0.9
167.01622	0.7
187.02354	7.5
203.14359	2.4
219.04994	8.3
219.13918	1.3
219.17390	7.0
220.02014	0.7
231.74783	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05502	3.5
57.03412	1.5
60.87218	1.1
63.30947	1.2
67.05498	5.7
69.06190	11.6
69.07064	2.4
70.73634	1.1
71.04999	1.5
74.02429	1.2
79.05491	4.0
81.07056	7.2
83.04975	1.1
83.08630	1.0
87.68385	1.0
91.05480	15.5
93.07054	6.8
94.95830	1.4
95.04965	2.5
95.08614	5.6
98.23353	2.5
103.05465	4.6
105.07028	11.5
107.08595	7.5
109.10155	5.0
109.68648	1.3
115.05451	13.8
116.06257	5.9
117.07005	4.4
119.08567	7.7
121.06512	2.5
121.10120	6.3
124.43790	1.2
128.06229	12.3
129.07005	49.3
130.07782	2.7
131.04918	11.8
131.08565	46.7
133.10150	5.6
135.08012	2.0
135.11693	3.6
137.05980	5.2
141.06985	38.5
142.07431	1.5
143.04924	1.6
143.08571	2.2
144.05736	6.1
144.09413	1.1
145.06512	7.7
145.10110	11.2
146.07271	6.3
147.11674	4.5
148.05174	2.4
149.09627	2.4
155.06015	1.7
157.06488	25.9
157.07713	2.5
158.07268	26.6
159.04416	4.7
159.08052	31.7
159.11693	10.6
160.05231	5.9
161.05901	1.2
161.09605	4.8
161.13252	5.3
162.06718	1.7
163.07492	2.9
163.11205	2.8
168.05737	1.4
169.06468	17.2
169.07719	2.2
170.07259	6.5
173.05971	5.0
173.09630	2.2
173.13240	4.0
174.06763	91.4
175.07541	15.1
175.14738	1.3
177.09108	1.8
177.12793	1.7
185.05978	1.7
186.06738	20.0
187.07445	2.3
188.08275	3.6
189.09105	100.0
190.09496	4.5
191.07005	1.6
191.10716	8.7
201.09109	38.6
201.12758	2.1
201.16417	8.4
202.09416	1.7
203.14276	3.2
219.10156	96.5
219.13730	3.6
219.17426	30.8
220.10403	2.8
236.73828	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
54.20051	1.0
69.40617	6.5
72.80986	0.9
73.42051	0.9
81.83405	0.9
91.05473	12.6
98.22576	1.0
103.05448	3.4
103.71865	0.9
104.06262	1.7
105.07034	2.1
115.05440	10.8
116.06229	2.4
117.07034	4.4
119.08607	1.7
128.06221	9.4
129.07002	32.4
130.07794	2.6
131.04915	8.9
131.08563	30.1
132.05698	2.9
132.08894	1.0
137.05969	3.4
140.06190	0.9
141.06993	27.6
143.04930	2.2
143.08522	2.0
144.05699	4.0
145.06496	6.9
146.07275	5.2
147.04332	1.0
147.08060	2.2
148.05174	1.6
153.06949	1.5
157.06497	17.9
157.07712	1.9
158.07281	18.2
159.04402	3.2
159.08047	19.6
160.05220	6.6
161.09636	2.5
162.06697	1.1
163.07573	2.1
169.06458	11.7
169.07693	1.6
170.07169	5.1
171.08069	1.6
173.05966	4.5
174.06769	67.4
175.07550	22.6
186.06761	13.4
187.07455	2.2
188.08356	3.9
189.09102	73.4
190.09372	2.9
191.07095	1.2
191.10640	5.4
201.09099	32.2
219.10164	100.0
219.17380	3.1
220.10498	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03424	0.8
71.91434	0.8
73.03955	0.8
85.24620	0.7
91.05474	10.8
95.08582	0.9
103.05465	2.6
105.07010	2.4
106.78693	0.7
115.05447	11.2
116.06223	2.8
117.07021	3.5
128.06213	10.3
129.07001	40.3
130.07735	3.1
131.04919	8.2
131.08562	34.2
133.06459	1.0
133.10114	0.9
134.82076	0.7
137.05957	3.9
140.06206	0.8
141.06985	35.1
142.07428	0.8
143.04919	2.6
143.08543	1.9
144.05733	5.5
145.06505	7.7
145.10095	1.3
146.07268	6.3
147.04399	1.0
148.05141	1.6
155.04889	1.4
155.06079	1.8
156.05754	0.8
157.05183	1.0
157.06488	24.3
158.07268	25.1
159.04430	3.8
159.08055	25.0
160.05208	6.3
160.08305	0.8
161.05896	0.9
161.09589	3.7
163.07532	3.0
168.05582	0.9
169.06458	14.9
169.07619	1.5
170.07266	6.9
171.08029	1.6
173.06006	5.7
173.09590	1.4
174.06757	75.5
175.07529	13.6
176.08247	0.9
185.05885	1.1
186.06754	18.7
187.07556	2.2
188.08327	4.2
189.09097	100.0
190.09450	2.9
191.07036	1.2
191.10677	7.0
201.07188	1.4
201.09109	41.7
219.10155	97.4
220.10422	2.7
228.75926	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.03937	1.2
53.75035	0.7
55.01867	1.1
55.05506	1.9
57.03418	0.9
67.05488	3.4
69.07050	3.3
70.58154	1.9
71.04967	1.4
73.89545	0.7
79.05478	2.7
81.07056	6.3
85.06540	1.4
91.05478	17.5
93.07037	6.3
95.04970	1.2
95.08612	7.3
97.06527	1.8
103.05507	4.6
105.07037	12.4
107.08591	8.5
109.06502	1.5
109.10165	4.0
111.08092	0.8
115.05447	12.0
116.06222	3.0
117.07027	6.8
118.07709	0.7
119.08571	9.9
121.06476	1.3
121.10158	5.5
123.08013	1.0
125.09656	1.7
128.06221	13.2
129.07005	44.2
130.07729	2.6
131.04918	9.5
131.08565	47.2
132.05687	0.8
132.08835	1.1
133.06546	0.9
133.10129	7.0
135.08023	3.1
135.11688	2.9
137.05962	4.7
141.06984	40.8
142.07683	0.9
143.04950	2.0
143.08577	3.8
144.05719	7.2
145.06494	10.7
145.10121	11.0
146.07234	5.3
147.07971	0.9
147.11639	2.4
148.05190	1.8
149.09583	1.9
149.13231	2.0
153.07004	1.6
155.06065	1.6
156.05580	1.2
157.06490	24.3
158.07275	24.0
159.04442	5.2
159.08058	28.5
159.11693	10.2
159.77518	0.9
160.05219	5.7
161.05980	1.5
161.09593	4.1
161.13264	7.1
162.06703	1.3
163.07539	3.3
163.11186	2.3
164.98065	0.8
168.05733	2.2
169.06448	15.9
169.07553	1.2
170.07268	7.8
171.04468	1.0
171.07999	1.6
173.05984	5.6
173.09598	1.9
173.13213	5.3
174.06758	80.2
175.07536	14.6
175.14825	3.5
176.08177	1.4
177.09189	1.1
177.12755	1.4
177.16385	2.2
178.14401	0.8
185.06035	1.0
186.06766	20.3
187.07442	2.0
188.08296	4.0
189.09103	100.0
190.09431	3.6
191.07036	1.2
191.10643	6.8
191.14331	1.2
191.17921	1.0
201.09099	41.3
201.16394	11.0
202.09496	1.5
203.14284	1.7
219.10155	98.2
219.13721	2.5
219.17413	26.4
220.10460	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
69.73367	5.0
69.73772	2.0
91.05480	8.7
103.05466	3.2
104.27565	1.1
105.07029	1.7
106.76147	1.2
115.05442	10.6
116.06226	1.9
117.06961	2.1
128.06198	9.9
129.07008	39.8
131.04939	6.8
131.08566	39.0
137.05980	4.6
141.05934	2.0
141.06985	32.9
143.04913	2.6
143.08534	2.8
144.05713	4.9
145.06494	6.7
146.07237	4.2
148.05162	1.3
155.06050	1.9
157.06493	22.1
158.07274	20.5
159.04434	2.6
159.06750	2.4
159.08051	26.3
160.05177	4.4
161.09521	2.5
163.07523	3.2
168.05663	2.0
169.06483	13.4
169.07739	1.4
170.07257	6.6
172.66304	1.2
173.05968	3.4
174.06766	74.0
175.07539	10.6
186.06750	17.4
188.08347	2.8
189.09105	100.0
190.09534	1.6
191.10687	6.6
201.09094	43.4
219.10161	93.7
220.10487	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	Bitalin A
Peak:m/z	Relative Intensity
50.81660	0.8
55.01861	0.7
55.05496	2.3
56.16581	0.5
57.03434	2.0
57.07056	0.6
63.06560	0.5
65.21751	0.5
66.07623	0.5
67.05508	4.5
69.03436	0.9
69.07059	2.6
70.42636	1.8
71.04986	1.3
79.05491	3.9
81.07053	7.9
83.04932	0.8
83.08588	0.6
85.06516	0.5
91.05481	17.0
93.07038	6.9
95.04992	1.0
95.08614	6.8
96.37246	0.6
97.06528	1.4
102.89402	0.5
103.05482	3.4
105.07021	12.5
107.04946	0.8
107.08601	6.2
109.06496	0.8
109.10152	5.2
111.08057	1.2
115.05453	11.7
116.06216	2.7
117.07031	6.2
119.08568	8.8
121.06483	1.8
121.10133	5.6
123.08082	1.6
125.09614	1.4
127.05354	0.6
128.06210	11.5
129.07002	43.5
130.07806	3.1
131.04919	9.1
131.08566	44.0
132.05685	0.6
132.08887	0.6
133.06424	0.6
133.10139	8.3
135.08067	1.7
135.11687	3.3
137.05986	3.8
141.06982	34.4
142.07718	0.9
143.04935	2.7
143.08611	3.7
144.05681	6.0
145.06488	8.6
145.10136	11.4
146.07288	5.7
147.08025	0.8
147.11626	3.7
148.05197	1.2
149.05902	1.0
149.09671	0.8
149.13214	1.0
151.03912	0.8
151.07584	0.9
153.06938	0.9
155.06000	1.2
156.05623	0.7
157.06491	23.9
157.10110	1.0
158.07268	23.5
158.10822	0.8
159.04416	3.6
159.08052	26.8
159.11681	9.4
160.05159	6.1
161.05957	1.4
161.09605	4.6
161.13235	6.5
162.06766	1.0
163.07547	3.2
163.11169	2.3
163.14862	0.7
168.05635	1.2
169.06467	14.5
169.07645	1.3
170.07248	8.1
171.07965	1.1
173.05946	5.8
173.09618	2.0
173.13243	3.7
174.06760	78.9
175.07529	13.9
175.14780	1.6
176.04747	0.8
176.08192	0.6
177.09052	0.6
177.12715	1.0
177.16412	0.6
183.08093	1.0
185.06012	1.3
186.06763	20.4
187.07419	2.3
188.08362	3.4
189.09100	100.0
190.09483	3.2
191.07053	1.5
191.10675	5.8
191.14339	0.8
191.17896	1.4
201.09108	40.5
201.16385	9.8
202.09460	1.4
204.91399	0.7
219.10162	88.9
219.13766	2.9
219.17419	25.3
220.10519	2.8
220.17189	0.9
229.50125	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.03955	1.1
55.01867	1.0
55.05502	2.7
56.06741	0.8
57.03429	1.5
57.07069	0.8
67.05497	10.5
69.03419	1.4
69.07058	2.3
71.04984	1.9
71.29089	1.3
77.95443	0.8
79.05479	3.7
81.07053	11.5
83.04958	1.0
85.06562	1.0
91.04957	1.3
91.05485	14.2
93.07043	7.9
95.04950	2.2
95.08608	7.2
97.06554	2.0
103.05457	2.5
105.07021	8.7
107.04958	1.2
107.08569	5.9
109.06540	2.0
109.10149	29.0
110.50787	0.9
111.04457	2.2
115.05450	11.7
116.06284	4.6
117.07030	8.5
119.04945	1.2
119.08572	9.7
121.06480	1.2
121.10130	5.9
123.08000	1.5
125.05996	2.7
125.09559	1.1
128.06215	11.9
129.07002	43.8
130.07751	3.9
131.04929	9.1
131.08559	47.4
133.10101	7.0
135.08031	1.7
135.11659	2.1
137.05974	3.4
137.09599	16.7
141.06985	36.9
142.07367	1.3
143.04929	2.0
143.08551	3.5
144.05704	6.3
145.06485	8.5
145.10126	10.5
146.07306	6.0
147.08006	4.1
147.11685	2.0
149.09616	1.3
155.04884	1.4
155.08583	1.5
155.10663	9.0
157.06477	24.6
158.07265	25.6
159.04411	3.7
159.08052	29.5
159.11700	9.0
160.05203	7.8
160.08514	0.8
161.05936	1.0
161.09590	3.5
161.13213	5.7
162.06705	1.7
163.07570	2.7
163.11174	2.4
165.09103	12.4
167.13098	0.8
168.05661	1.4
169.06459	16.1
170.07275	8.2
173.05992	5.6
173.09630	2.0
173.13246	3.4
174.06758	81.5
175.07532	15.3
175.14902	2.0
177.12776	1.9
183.10153	3.1
185.06004	1.1
186.06758	19.6
187.07454	2.4
188.08313	4.5
189.09094	95.6
190.09438	3.1
191.10664	8.1
201.09114	44.9
201.11067	2.5
201.12822	1.6
201.16348	8.5
202.09537	1.1
203.14317	2.3
219.10153	100.0
219.13750	4.2
219.17410	22.3
220.10518	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.03929	0.7
55.05515	3.5
57.03416	2.3
57.07064	0.9
63.24296	0.8
65.03938	1.2
65.28346	0.7
66.04737	0.7
67.05515	6.3
69.03413	1.3
69.07068	3.6
71.04976	2.2
71.29958	1.6
75.08353	0.7
78.04722	0.7
78.68557	0.7
79.05500	6.1
81.07055	12.9
83.04951	1.1
83.08637	1.1
91.05473	18.9
93.07037	10.4
95.04942	1.6
95.08607	14.1
97.06524	1.8
103.05452	4.5
105.07024	17.7
107.04927	1.2
107.08598	11.9
109.06519	2.2
109.10155	5.4
111.08078	1.6
115.05436	12.2
116.06215	3.3
117.07027	7.8
119.08575	14.5
121.06485	1.5
121.10136	8.1
123.08043	3.1
123.11715	2.1
125.09643	1.2
128.06218	10.0
129.07002	48.7
130.04137	0.7
130.07852	3.8
131.04941	9.0
131.08559	50.7
132.08884	1.6
133.06450	1.3
133.10126	7.5
135.08032	2.4
135.11711	3.5
136.12029	1.0
137.06007	4.7
137.09569	1.6
140.06059	1.0
141.06987	40.0
142.07605	1.1
143.04916	3.1
143.08574	3.6
144.05695	7.1
144.09311	1.1
145.06487	8.3
145.10123	17.5
146.07251	7.2
147.04404	1.3
147.08070	1.1
147.11673	3.3
148.05206	1.8
149.09587	1.7
149.13254	1.2
151.07558	1.0
153.06938	0.8
155.06033	1.5
156.05637	1.0
157.06487	24.9
157.10092	1.4
158.07271	24.7
159.04411	5.1
159.08046	30.2
159.11676	15.3
160.05154	5.5
161.05992	1.8
161.09662	5.8
161.13258	12.0
162.06697	1.1
163.07492	2.6
163.11160	2.5
163.14687	0.8
169.06461	16.5
169.07674	2.0
170.07265	7.5
171.08061	1.4
173.06004	7.0
173.09610	2.3
173.13274	7.0
174.06760	78.2
175.07529	14.4
175.14769	3.0
176.08028	1.2
177.05531	1.0
177.12750	2.2
183.08035	0.8
185.05954	1.4
186.06760	19.8
187.07466	2.9
188.08345	4.2
189.09099	100.0
190.09479	2.9
191.07043	2.6
191.10654	8.5
191.17912	1.4
201.09099	42.7
201.12717	2.1
201.16382	16.6
202.09422	1.2
203.14288	3.4
219.06587	3.1
219.10158	96.8
219.13789	4.7
219.17415	38.2
220.10483	2.6
220.17810	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05469	0.7
57.03435	1.6
58.47388	0.7
67.05488	1.9
69.07070	0.9
71.02423	1.1
71.04975	1.3
78.37962	0.7
79.05480	1.1
81.07029	3.0
89.22713	0.8
91.05474	13.7
93.07025	2.0
95.08583	2.9
103.05450	2.9
105.07024	5.7
107.08582	2.5
109.10162	0.9
115.05444	10.9
116.06220	3.4
117.07022	5.0
119.04906	0.7
119.08573	2.9
121.06557	0.9
121.10099	2.3
128.06223	11.3
129.06999	40.8
130.07745	2.8
131.04935	9.0
131.08565	38.0
132.08871	0.9
133.10149	5.0
135.08125	1.2
135.11719	1.4
137.05923	3.8
141.06978	34.2
142.07401	1.2
143.04892	2.2
143.08537	2.4
144.05704	6.5
145.06473	7.6
145.10094	3.7
146.07271	5.9
147.11691	1.0
148.05077	0.8
155.05989	1.8
156.05635	1.0
157.06488	24.0
158.07268	24.0
158.08612	1.2
159.04410	3.3
159.08046	30.9
159.11665	3.5
160.05182	5.2
160.08400	0.9
161.05925	1.7
161.09560	4.0
161.13254	2.6
162.06744	0.7
163.07504	2.1
168.05682	1.7
169.06458	14.8
169.07709	1.8
170.07245	7.8
171.08026	2.1
173.06001	5.8
173.09624	1.2
173.13223	1.6
174.06758	76.7
175.07518	11.9
175.14775	0.9
176.08255	1.1
185.05986	1.4
186.06760	20.0
187.07498	1.9
188.08308	5.1
189.09097	98.4
190.09422	2.8
191.07010	1.0
191.10649	7.6
201.09102	44.4
201.16362	4.3
202.09444	1.0
219.10156	100.0
219.17351	7.2
220.10487	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94420	1.4
55.01873	2.3
55.05518	4.3
55.94851	1.3
61.64958	1.5
65.03941	1.7
67.05506	37.2
69.07077	4.8
69.56089	8.3
79.05490	6.8
81.07054	35.3
83.05012	2.2
91.05484	6.0
93.07040	10.5
95.04980	4.2
95.08603	13.0
97.06536	2.1
99.04457	2.7
99.08125	2.4
103.05447	1.4
105.07043	6.6
107.04935	1.8
107.08601	6.3
109.06496	1.9
109.10156	100.0
111.04448	6.4
113.05973	2.5
115.05469	2.7
117.07054	3.3
119.08567	10.0
120.63403	1.6
121.10140	8.5
123.04455	1.6
125.06016	6.8
125.09689	1.8
129.07025	6.5
131.08592	7.2
133.10150	5.7
134.63828	1.4
135.08066	2.5
135.11661	2.9
137.09610	76.3
138.09912	2.0
141.06985	3.0
141.23120	1.5
145.10147	6.6
147.08026	8.4
147.11728	3.4
155.10667	35.2
159.08031	4.3
159.11736	6.1
160.54674	1.6
161.13211	2.3
163.07574	1.6
165.09113	58.3
174.06779	4.5
174.75427	1.6
175.07558	3.5
176.08603	1.9
176.43449	2.0
183.10158	16.3
189.09138	8.0
201.09160	5.0
201.11253	8.4
201.16441	5.2
203.14410	2.3
219.10075	12.1
219.13844	3.0
219.17462	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82504	1.4
53.03937	1.9
55.01867	4.7
55.05506	9.0
57.03438	4.0
63.02363	1.7
65.03930	2.1
67.05177	2.5
67.05506	35.3
69.03423	1.7
69.07056	7.1
71.04962	4.5
72.84023	1.8
79.05488	11.9
81.06586	2.3
81.07057	42.8
83.04994	2.9
88.29240	1.6
91.05479	20.1
93.07040	16.2
95.04966	8.1
95.08599	23.3
97.06515	4.5
99.04473	1.8
99.08115	2.8
103.05501	2.2
104.81075	1.4
105.07028	24.6
107.04927	2.4
107.08600	18.6
109.06502	6.7
109.10158	100.0
111.04446	9.6
111.08096	2.6
115.05465	7.6
116.06236	3.8
117.07010	13.4
119.08569	22.5
121.06507	6.0
121.10137	17.3
121.15836	1.4
123.04443	2.0
123.08055	2.9
125.05959	9.0
125.09654	2.2
127.07565	1.8
128.06198	6.0
129.07022	23.3
130.07761	3.4
131.04895	6.0
131.08565	36.3
131.13420	1.8
133.10107	14.4
135.04364	1.7
135.08025	4.8
135.11685	7.1
137.09618	71.2
138.09950	2.3
141.06979	22.8
143.04865	1.8
143.08542	5.0
144.05701	4.7
145.06505	8.4
145.10130	25.7
146.07317	2.2
146.10608	1.6
147.08041	13.8
147.11659	5.9
149.09595	3.5
155.08687	3.0
155.10678	33.2
157.06477	12.2
157.10123	1.6
158.07281	15.6
159.08061	20.0
159.11705	21.7
160.05159	3.4
161.09612	5.6
161.13235	9.5
163.07524	2.8
163.11171	5.4
165.07735	2.9
165.09122	53.0
169.06461	8.2
170.07283	3.3
173.05989	5.6
173.09615	2.6
173.13258	10.2
174.06766	40.5
175.07509	15.7
175.11237	2.0
175.14758	3.2
176.72896	1.8
177.09132	1.7
177.12776	4.0
183.10194	13.2
186.06769	12.6
187.07587	1.8
188.08224	2.7
189.09122	51.2
190.09509	1.9
191.07053	1.8
191.10683	4.7
191.14273	2.4
201.05389	2.5
201.09085	17.6
201.11183	7.7
201.12711	3.5
201.16408	16.3
203.14290	4.8
216.96419	1.7
219.06642	3.6
219.10165	52.4
219.13762	13.4
219.17441	44.6
220.10356	1.8
220.17807	2.6
220.98564	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01576	1.0
51.02375	0.8
53.03923	3.5
55.01873	1.4
55.05508	17.7
56.96777	0.7
57.03444	1.1
57.07073	5.9
63.62787	0.7
65.03936	4.3
67.05502	43.9
69.03411	2.1
69.07064	11.3
69.08417	6.0
69.08810	1.4
71.04986	8.3
74.75024	0.7
77.14310	0.7
79.05490	33.8
79.05955	1.6
81.03415	1.5
81.07053	35.7
83.04978	7.9
83.08624	4.9
84.05249	0.8
85.06547	6.6
91.05476	70.4
92.05796	0.9
93.03392	3.2
93.07040	44.3
95.04977	6.8
95.08601	39.5
97.06529	6.0
97.10139	2.1
98.23361	1.8
99.04455	0.9
102.39978	0.7
103.05461	5.1
105.03432	0.9
105.07024	85.0
106.07329	1.5
107.04950	7.7
107.08589	28.0
109.06501	5.6
109.10146	35.7
111.04424	11.9
111.08073	2.9
113.05979	1.0
113.09657	1.9
115.05431	5.7
116.06211	2.0
117.07007	44.4
118.07323	1.1
119.08575	41.0
120.08865	1.1
121.06512	4.9
121.10141	30.3
123.04424	3.3
123.08065	3.5
123.11658	1.6
125.06004	6.6
125.09612	1.9
128.06201	2.6
129.07002	7.3
130.07770	3.2
131.04907	4.2
131.08562	98.3
132.08910	2.6
133.06500	1.4
133.10121	36.9
134.10481	0.9
135.04405	27.0
135.08057	6.7
135.11676	6.2
137.05966	3.3
137.09569	2.2
139.07535	2.4
141.06911	1.4
142.07765	1.2
143.08560	6.7
144.09326	6.7
145.06462	6.9
145.10118	68.3
146.10437	2.2
147.08101	1.1
147.11674	22.6
149.05965	16.6
149.07071	1.4
149.09573	4.5
149.13260	7.1
151.03915	1.5
151.07516	2.2
151.11157	0.9
157.10135	2.7
158.07306	0.9
158.10899	4.4
159.08061	8.3
159.11690	19.1
161.09618	4.4
161.13251	8.2
163.07527	25.2
163.11174	6.1
163.14822	1.8
168.09317	1.3
171.11696	1.3
172.08789	1.3
173.13249	100.0
174.06754	1.1
174.13567	4.4
175.07535	1.8
175.11143	1.1
175.14833	7.2
177.09099	36.3
177.12669	4.2
177.16386	1.1
178.09479	1.2
183.11696	2.4
189.09024	1.6
191.10638	3.6
191.14323	7.8
191.17940	1.6
201.09142	1.0
201.12720	19.5
201.16371	14.4
204.07703	1.5
219.10559	7.2
219.13799	84.5
219.17303	30.2
220.14127	2.8
220.17584	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.138
Annotation	Chromoarnottione
Peak:m/z	Relative Intensity
50.01576	1.0
51.02375	0.8
53.03923	3.5
55.01873	1.4
55.05508	17.7
56.96777	0.7
57.03444	1.1
57.07073	5.9
63.62787	0.7
65.03936	4.3
67.05502	43.9
69.03411	2.1
69.07064	11.3
69.08417	6.0
69.08810	1.4
71.04986	8.3
74.75024	0.7
77.14310	0.7
79.05490	33.8
79.05955	1.6
81.03415	1.5
81.07053	35.7
83.04978	7.9
83.08624	4.9
84.05249	0.8
85.06547	6.6
91.05476	70.4
92.05796	0.9
93.03392	3.2
93.07040	44.3
95.04977	6.8
95.08601	39.5
97.06529	6.0
97.10139	2.1
98.23361	1.8
99.04455	0.9
102.39978	0.7
103.05461	5.1
105.03432	0.9
105.07024	85.0
106.07329	1.5
107.04950	7.7
107.08589	28.0
109.06501	5.6
109.10146	35.7
111.04424	11.9
111.08073	2.9
113.05979	1.0
113.09657	1.9
115.05431	5.7
116.06211	2.0
117.07007	44.4
118.07323	1.1
119.08575	41.0
120.08865	1.1
121.06512	4.9
121.10141	30.3
123.04424	3.3
123.08065	3.5
123.11658	1.6
125.06004	6.6
125.09612	1.9
128.06201	2.6
129.07002	7.3
130.07770	3.2
131.04907	4.2
131.08562	98.3
132.08910	2.6
133.06500	1.4
133.10121	36.9
134.10481	0.9
135.04405	27.0
135.08057	6.7
135.11676	6.2
137.05966	3.3
137.09569	2.2
139.07535	2.4
141.06911	1.4
142.07765	1.2
143.08560	6.7
144.09326	6.7
145.06462	6.9
145.10118	68.3
146.10437	2.2
147.08101	1.1
147.11674	22.6
149.05965	16.6
149.07071	1.4
149.09573	4.5
149.13260	7.1
151.03915	1.5
151.07516	2.2
151.11157	0.9
157.10135	2.7
158.07306	0.9
158.10899	4.4
159.08061	8.3
159.11690	19.1
161.09618	4.4
161.13251	8.2
163.07527	25.2
163.11174	6.1
163.14822	1.8
168.09317	1.3
171.11696	1.3
172.08789	1.3
173.13249	100.0
174.06754	1.1
174.13567	4.4
175.07535	1.8
175.11143	1.1
175.14833	7.2
177.09099	36.3
177.12669	4.2
177.16386	1.1
178.09479	1.2
183.11696	2.4
189.09024	1.6
191.10638	3.6
191.14323	7.8
191.17940	1.6
201.09142	1.0
201.12720	19.5
201.16371	14.4
204.07703	1.5
219.10559	7.2
219.13799	84.5
219.17303	30.2
220.14127	2.8
220.17584	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1378
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
53.03946	0.8
55.01876	0.7
55.05512	4.6
56.96569	0.7
57.07071	1.4
57.12044	0.5
59.04986	1.2
60.70609	0.6
62.78488	0.6
63.67012	0.7
65.03945	0.6
66.72550	0.6
67.05506	5.5
69.03400	0.6
69.07068	7.2
69.37105	3.7
71.04997	3.8
79.05486	4.2
81.07053	8.0
83.04976	1.3
83.08643	1.3
85.06554	3.8
91.05479	15.3
93.07042	8.8
95.04967	1.4
95.08606	6.9
96.88141	0.6
97.06529	1.9
103.05453	2.0
105.07029	28.3
107.04919	0.8
107.08595	10.4
109.06525	1.9
109.10152	4.5
111.08051	1.3
115.05454	3.1
116.06248	1.3
117.07016	27.4
118.07405	0.7
119.08575	24.0
120.08912	0.7
121.06500	3.8
121.10136	6.9
123.08083	1.4
123.11706	1.4
125.09602	0.9
128.06219	1.1
129.07010	7.2
130.07809	3.4
131.08563	37.6
132.08795	0.9
133.06497	1.1
133.10126	9.6
135.08040	1.7
135.11707	4.2
137.09599	1.3
142.07771	2.3
143.08569	3.7
144.09340	9.5
145.06476	2.7
145.10114	18.7
146.10658	0.8
147.08044	2.4
147.11693	3.1
149.09647	2.4
149.13284	1.2
151.11180	0.9
155.08553	2.2
157.10114	11.4
158.10907	2.4
159.08116	6.4
159.11685	100.0
160.12018	3.3
161.09634	1.2
161.13255	11.9
163.07544	6.6
163.11180	4.7
168.09314	1.1
171.11612	0.8
173.09552	1.0
173.13258	12.7
175.14832	3.2
177.09106	5.0
177.12700	2.9
177.16408	2.4
183.11700	5.2
189.07027	1.1
190.07652	1.0
191.08492	1.8
191.10611	1.4
191.14291	0.9
191.17967	1.2
201.12752	7.4
201.16374	9.2
203.08522	1.4
203.14258	1.4
204.09369	2.0
204.82916	0.7
205.15785	0.8
219.08127	5.5
219.11731	5.4
219.13794	53.7
219.17348	29.7
220.08684	0.8
220.14140	2.3
220.17873	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1378
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
52.67048	0.6
55.01860	1.2
55.05510	4.3
57.40952	0.6
67.05503	4.5
69.07062	4.0
69.19621	1.3
69.20026	3.9
71.04977	2.4
73.37592	0.7
74.95519	0.7
79.05499	3.8
81.07049	8.4
83.04984	1.4
83.08619	0.7
85.06554	1.4
91.05481	12.0
93.07040	7.2
95.04971	1.0
95.08578	3.7
97.06498	1.1
99.45809	0.6
103.05475	1.3
105.07028	21.5
107.04965	1.0
107.08583	6.5
109.06493	3.1
109.10162	4.5
115.05485	3.4
116.06223	1.5
117.07015	27.9
119.07768	1.3
119.08574	16.1
120.08919	0.8
121.06499	6.1
121.10121	3.4
123.08059	1.8
123.11691	2.1
128.06235	0.9
129.06981	7.0
130.07780	3.1
131.08563	37.6
132.08955	0.9
133.06458	1.8
133.10144	5.4
135.08044	3.9
135.11685	2.4
135.96698	0.7
136.57300	0.6
137.09612	10.3
138.92761	0.6
141.06982	1.3
142.07748	3.7
143.08528	4.2
144.09348	10.0
145.06450	2.9
145.10130	13.5
146.10512	0.9
147.08044	1.9
147.11711	1.4
149.09612	5.1
149.13216	0.9
153.06934	0.7
155.08566	1.6
157.10141	9.1
158.07240	0.8
158.10902	1.4
159.08101	6.9
159.11684	100.0
160.12018	3.7
161.09560	1.3
161.13257	2.6
163.07536	8.9
163.11180	7.2
168.09303	1.6
173.09546	1.0
173.13248	11.5
174.94968	0.7
175.14862	1.1
177.09113	6.3
177.12778	2.2
183.11673	4.1
186.13931	0.8
187.07524	1.4
189.06953	1.7
189.12730	1.0
190.07678	1.5
191.08484	2.0
191.10599	1.6
201.09081	0.9
201.12784	7.0
201.14539	1.0
201.16339	5.2
203.08548	0.9
203.14323	1.5
204.09323	2.3
219.08209	6.3
219.11728	6.2
219.13806	53.8
219.17380	42.8
220.08824	1.3
220.14240	2.5
220.17841	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.138
Annotation	7-Oxo-14-nor-4-isocedren-15-al
Peak:m/z	Relative Intensity
52.11306	0.3
53.03927	0.8
55.01868	0.8
55.05508	5.2
57.03446	0.6
57.07074	2.1
59.04984	0.8
60.33839	0.3
65.03933	1.0
67.05498	5.7
69.03423	3.5
69.07061	4.6
69.47532	1.5
69.47946	0.6
70.06612	0.4
71.04984	1.3
77.03941	0.4
79.05489	8.1
81.03416	0.4
81.06579	0.5
81.07057	8.6
83.04478	0.6
83.04977	11.5
83.08623	1.3
85.06544	2.1
91.04888	0.4
91.05476	12.3
93.07037	13.6
95.04955	1.7
95.08606	8.3
95.09225	0.4
97.06533	2.7
97.10151	0.8
103.05456	1.6
104.06218	0.5
105.07024	16.2
106.08611	0.3
107.04945	0.8
107.08588	43.4
108.08920	0.7
109.06513	4.2
109.10155	5.5
111.04431	1.1
111.08064	1.7
113.06009	0.4
115.05451	2.6
116.06223	0.8
117.07008	6.1
119.06068	1.2
119.08572	10.3
121.06500	1.6
121.10138	7.0
123.04447	0.4
123.08060	2.6
123.11707	1.2
125.09602	0.6
127.07563	1.3
128.06276	0.7
129.07002	2.1
130.07770	0.9
131.04907	1.8
131.08562	9.1
132.09329	1.0
133.06546	0.8
133.10132	7.2
135.08044	100.0
135.11647	5.6
136.08411	2.2
137.09618	0.8
141.06985	0.5
143.08531	3.1
144.09332	1.3
145.06480	1.0
145.10115	9.9
147.08052	0.8
147.11693	2.3
149.05960	1.9
149.09622	3.0
149.13234	1.5
151.11185	0.7
157.10103	0.7
158.07233	0.4
158.10934	3.8
159.04437	1.3
159.08067	2.7
159.11679	11.4
160.12164	0.5
161.09628	2.0
161.13272	4.1
163.07533	4.9
163.11186	2.6
171.08063	1.1
171.11722	0.5
172.08824	1.3
173.09613	0.9
173.13260	12.0
174.06734	1.4
174.13757	0.5
175.07523	2.7
175.11156	0.8
175.14828	2.0
177.09138	1.1
177.12759	2.8
177.16353	0.5
183.11693	0.5
186.10365	2.8
187.03883	0.6
189.09123	0.8
189.12756	0.4
191.14316	3.6
191.17943	1.3
201.09055	0.5
201.12711	5.0
201.16360	8.8
203.14323	0.6
204.09445	0.3
219.10411	7.2
219.13805	40.3
219.17320	19.0
219.21149	2.1
220.14107	1.6
220.17665	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.138
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
53.03948	0.8
55.01868	0.8
55.05517	3.3
57.07078	0.6
67.05507	2.7
69.07062	3.2
70.39456	0.5
71.04988	2.2
79.05482	3.2
81.07069	3.9
83.05000	0.6
83.08591	0.7
85.06544	1.2
91.05484	11.9
93.07050	5.4
95.04903	0.6
95.08593	1.9
103.05492	0.9
104.64533	0.6
105.07030	17.5
107.08578	6.2
109.06519	0.6
109.10163	1.5
113.06075	0.6
115.05466	3.9
116.06160	0.8
117.07018	25.4
118.07341	0.7
119.07771	1.0
119.08578	13.3
120.08952	0.5
121.06510	2.9
121.10152	3.2
123.08086	0.6
128.06206	1.1
129.07007	6.7
130.07790	2.3
131.08568	35.5
132.08896	1.0
133.06487	0.8
133.10147	3.4
135.08051	2.0
135.11702	1.4
137.09657	1.0
141.07048	0.9
142.07770	2.2
143.08569	3.7
144.09348	11.8
145.06483	2.1
145.10144	11.5
146.10899	0.7
147.08037	1.4
147.11690	1.2
149.09575	0.6
155.08540	2.1
157.10133	10.0
158.10860	2.1
159.08109	7.3
159.11691	100.0
160.12001	4.1
161.09628	0.8
161.13280	1.9
163.07553	7.8
163.11227	3.4
168.09364	0.9
173.09560	1.2
173.13269	10.6
174.13535	0.6
175.14932	0.5
177.09096	4.6
177.12793	1.9
177.16449	0.8
183.11690	3.5
186.10426	0.6
189.06990	2.0
189.12752	1.0
190.07663	1.0
191.08502	1.5
191.10622	1.5
191.14267	0.6
201.08931	0.6
201.12753	7.5
201.16397	2.2
202.07736	0.9
202.66730	0.6
203.08498	4.0
203.14290	1.2
204.09360	6.7
205.10144	1.7
219.08247	4.7
219.11685	16.9
219.13809	53.1
219.17291	16.9
220.08894	1.0
220.12294	2.2
220.14203	2.0
220.17772	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
55.01860	0.8
55.05510	5.8
57.03419	0.8
57.07077	1.0
67.05502	12.0
69.03076	1.0
69.03426	9.3
69.07070	7.8
69.45740	4.5
70.47456	0.7
71.04977	2.7
75.00896	0.7
79.05501	9.5
81.06580	1.5
81.07059	27.8
83.04975	2.3
83.08620	1.9
85.06543	1.4
91.05481	11.3
93.07047	24.3
95.04961	2.4
95.08608	32.1
97.06535	8.4
97.10166	1.7
98.22642	0.8
103.05469	0.8
105.07028	30.2
107.08594	28.8
109.06520	5.7
109.10155	24.2
110.10519	0.9
111.08091	7.0
114.30463	0.8
117.07015	4.3
119.08581	21.9
120.08943	0.9
121.06501	2.3
121.10148	14.3
123.08082	6.8
123.11694	3.2
125.09623	5.0
127.11170	0.7
129.07010	1.7
130.07785	2.1
131.08572	14.2
133.10123	9.4
135.08086	5.1
135.11693	23.7
137.09595	2.1
143.08585	2.0
144.09335	2.1
145.10123	41.2
146.10526	0.8
147.11676	10.6
149.09613	4.6
149.13306	5.1
150.10422	1.3
151.11180	1.7
157.10118	1.8
159.08101	1.2
159.11700	27.7
160.12288	0.9
161.09610	0.9
161.13263	18.1
163.11186	7.0
163.14845	0.9
166.57292	0.8
171.11700	1.0
173.13266	9.6
175.14833	5.9
177.12720	1.5
177.16385	2.1
186.14153	0.9
189.07014	3.9
190.07751	2.1
191.08539	2.7
191.14355	2.3
191.17950	4.2
201.16379	52.7
202.07724	1.0
202.16750	2.6
203.08562	6.2
203.14337	2.1
204.09361	11.6
205.06554	0.9
205.10101	2.8
219.08321	6.7
219.11737	25.2
219.13879	4.0
219.17439	100.0
220.08859	1.0
220.12230	2.3
220.17734	3.9
221.55119	0.9
221.93570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	Solavetivone
Peak:m/z	Relative Intensity
53.03939	1.9
55.01867	1.2
55.05516	5.2
57.07064	2.0
59.04993	5.0
65.03928	1.8
67.05504	74.5
69.03430	1.5
69.07063	10.4
71.04992	2.8
79.05497	13.4
81.03408	2.8
81.07056	57.6
83.04970	2.3
83.08607	3.1
91.05480	14.5
93.07039	23.4
95.04977	10.4
95.08606	19.7
97.06499	3.9
98.23419	2.3
105.07027	18.9
107.08593	21.6
109.06516	11.7
109.10155	100.0
111.08091	7.6
117.07025	8.5
119.07783	1.7
119.08577	21.0
121.06490	3.0
121.10138	10.3
123.08060	4.5
123.11685	6.4
125.09607	12.0
130.07747	1.3
131.08569	9.9
133.10147	7.3
135.08096	2.5
135.11694	5.7
137.09610	72.1
145.10124	14.5
147.08067	1.7
147.11665	2.1
149.09599	3.1
149.13260	12.2
151.11177	10.3
157.10179	1.4
159.11688	17.1
160.12105	1.3
161.13234	8.9
163.11172	3.8
163.14792	1.3
173.13275	4.4
175.14798	3.3
176.12019	1.3
177.12724	1.8
177.16391	1.6
190.80002	1.0
191.17873	1.8
201.12766	1.2
201.16344	13.4
203.08444	2.0
203.14340	1.4
204.09361	1.7
219.08163	1.3
219.11870	5.5
219.13855	3.4
219.17433	59.1
220.17838	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
55.05509	6.1
57.07066	3.4
59.04995	1.4
63.49532	0.8
65.03947	1.1
66.12380	0.8
67.05508	7.6
67.05812	1.3
69.07063	8.7
69.24405	4.8
69.24812	1.9
71.04987	3.2
71.88507	0.9
73.66635	0.8
77.02807	0.8
79.05492	6.7
81.07062	15.5
83.04984	2.6
83.08614	2.8
85.06526	1.8
91.05473	11.2
93.07041	18.3
95.04974	13.2
95.08608	18.6
97.06525	3.5
97.10178	1.6
105.06375	1.5
105.07027	19.3
107.04946	4.0
107.08601	22.3
109.06521	31.3
109.10159	15.4
111.08058	3.8
117.07042	5.8
119.08583	18.5
120.25174	0.8
121.06499	4.7
121.09293	1.6
121.10145	25.9
123.08078	9.0
123.11671	2.5
125.09640	1.8
129.06982	1.3
130.07765	0.9
131.08588	8.7
133.10132	10.3
135.08038	4.3
135.11705	12.1
137.09613	26.5
137.13298	0.9
143.08531	1.2
144.09341	1.9
145.10129	23.7
146.10774	1.0
147.11736	8.1
149.09619	24.4
149.13243	3.0
151.11211	1.1
157.10104	2.1
159.11700	22.8
161.09647	1.7
161.13264	18.8
161.14584	1.9
162.06924	1.0
163.11192	19.4
172.94276	1.2
173.10817	1.1
173.13292	4.0
175.14832	6.6
177.09186	1.4
177.12779	6.2
177.16373	10.9
190.95331	1.4
191.14227	1.2
191.17892	2.9
201.16396	24.8
202.16728	1.1
203.14320	3.4
205.15817	6.7
219.13911	3.8
219.17445	100.0
220.18024	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1742
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03943	2.6
55.05511	13.7
57.03437	1.5
57.07064	3.6
59.04990	4.1
62.49225	1.3
63.51152	1.3
65.03929	2.1
67.05503	31.7
69.03442	2.8
69.06347	9.0
69.07066	25.5
71.04997	11.0
79.05483	15.5
81.06582	2.2
81.07056	43.5
83.04978	7.0
83.08627	5.5
85.06547	9.0
91.05479	25.8
93.07041	36.7
93.46266	1.2
95.04962	4.9
95.08606	31.9
97.06521	4.7
97.10168	1.7
105.07027	69.7
107.04952	1.8
107.08591	32.1
109.06536	8.5
109.07140	1.3
109.10155	37.6
111.08056	6.1
113.09598	1.8
117.07018	15.4
119.08577	91.6
120.08895	1.5
121.06490	3.4
121.10149	34.6
123.08057	4.3
123.11713	4.1
125.09622	4.8
129.06984	3.8
130.07765	3.6
131.08566	21.8
132.19148	1.6
133.10129	37.0
134.10483	1.7
135.08040	5.4
135.11676	13.1
137.09624	18.5
143.08540	2.0
144.09338	4.4
145.09015	2.0
145.10129	31.1
147.11679	10.5
149.09596	6.7
149.13252	8.5
151.11172	5.8
157.10207	2.0
159.11694	48.8
161.13257	100.0
162.13586	2.5
163.11194	14.7
171.11717	2.1
173.13260	8.5
175.14859	8.9
177.12799	4.7
177.16350	7.5
186.14069	2.7
189.06941	3.8
190.07668	2.2
191.08568	3.3
191.14268	2.8
191.17957	2.5
201.14493	2.4
201.16359	43.2
202.07896	1.4
202.16670	2.3
203.08542	8.4
203.14201	1.2
204.09340	12.8
205.10072	3.0
219.08377	6.5
219.11707	36.7
219.13826	4.4
219.17433	71.3
220.12396	4.1
220.17708	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
55.05515	6.5
57.07068	6.3
59.04994	1.5
67.05503	9.7
69.03416	1.2
69.07073	10.1
69.26521	4.5
69.26942	3.1
71.04984	3.0
71.08624	1.1
79.05490	7.8
81.07056	16.6
83.04960	4.9
83.08604	3.8
84.76611	1.0
85.06539	2.6
91.05479	13.3
93.07049	16.4
95.04975	1.4
95.08602	16.0
97.06504	3.4
98.22742	3.2
103.05480	1.2
105.07030	29.9
107.08596	17.3
109.06516	14.5
109.10153	14.5
111.08070	5.0
115.05444	2.9
117.07019	22.3
119.07766	1.9
119.08573	21.4
121.06541	5.7
121.10138	16.9
123.08067	5.7
123.11704	8.2
125.09625	2.8
129.07031	5.9
130.07814	5.9
131.08568	33.0
133.10126	12.6
135.08034	7.5
135.11688	8.5
137.09604	6.6
137.13269	1.9
142.07776	1.6
143.08548	4.4
144.09355	8.4
145.06471	2.7
145.10120	60.4
146.10480	1.2
147.07973	1.2
147.11670	5.0
149.09599	3.2
149.13213	1.4
157.10127	9.9
158.10883	3.5
158.98558	1.2
159.08081	6.2
159.11690	100.0
159.55557	1.1
160.12064	3.2
161.13255	12.7
163.07587	5.4
163.11156	9.8
168.09264	1.2
173.09578	2.2
173.13249	14.0
175.14803	4.9
177.09093	2.7
177.12727	4.3
177.16356	6.4
183.11671	3.3
189.06963	1.9
191.10648	1.2
191.14325	1.2
191.17947	2.6
195.80510	1.0
201.09065	2.6
201.12738	5.0
201.16374	45.7
202.16708	1.6
203.08566	3.3
203.14304	2.7
204.09393	5.6
204.10927	1.1
205.09962	1.9
219.08267	1.6
219.10107	2.7
219.11678	14.9
219.13788	34.5
219.17413	61.5
220.12276	2.6
220.17802	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03942	3.2
54.28748	1.2
55.05509	12.1
57.07074	5.8
58.07426	1.5
62.60889	1.2
65.03940	1.8
67.05495	13.9
69.03426	2.8
69.07067	10.6
70.06593	3.0
71.04993	16.9
71.06908	2.8
71.41358	1.2
73.81361	1.0
77.03940	1.6
79.05477	17.3
81.06573	2.5
81.07053	38.8
83.04965	5.1
83.08609	4.6
85.06517	1.5
88.07639	5.8
89.07961	3.7
91.05474	35.4
93.07033	35.1
95.04980	2.2
95.08598	25.4
97.06535	7.3
97.10139	2.4
98.22627	2.4
102.09118	1.9
103.05432	2.4
105.07026	80.7
106.07327	1.8
106.08649	2.9
107.08575	30.6
109.06499	5.9
109.10142	15.6
111.08067	3.7
115.05434	4.6
116.06212	2.5
117.06986	11.8
118.07858	1.6
119.08578	28.8
121.06499	4.3
121.10130	21.9
123.08091	5.9
123.11705	6.9
125.09621	18.9
127.11156	1.3
128.06230	4.0
129.06999	16.2
130.07761	2.9
131.04921	2.8
131.08560	33.2
133.10124	100.0
134.10442	3.0
135.08055	4.0
135.11674	9.4
137.09653	2.8
139.11154	1.8
141.06958	12.7
143.08585	4.7
144.05711	1.6
144.09328	2.8
145.06459	3.6
145.10114	29.4
146.07193	1.9
147.08092	1.5
147.11679	17.2
149.09624	4.4
149.13254	3.5
151.03894	1.3
157.06477	6.9
157.10030	1.4
157.17813	2.1
158.07224	8.2
158.10893	2.6
159.08018	8.3
159.11691	31.4
160.05151	1.8
161.05946	1.6
161.09631	3.1
161.13229	16.4
163.11165	12.1
169.06470	4.6
170.07205	2.5
173.05981	1.7
173.13281	10.5
174.06758	24.4
175.07480	5.2
175.14803	4.9
177.12714	4.0
177.16383	4.0
186.06734	5.9
187.07521	2.1
189.09096	29.1
191.10582	2.9
191.17955	2.8
201.09125	10.7
201.16382	29.5
201.20367	3.0
212.03711	1.2
219.08015	1.7
219.10167	32.4
219.13969	2.8
219.17432	84.5
219.21461	55.5
220.10320	1.5
220.17789	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	Zerumbone
Peak:m/z	Relative Intensity
54.12678	0.3
55.05512	0.7
55.18375	0.3
57.03430	0.4
60.63601	0.3
67.05496	2.2
69.03451	0.3
69.07053	0.8
69.11235	2.6
71.05001	0.3
79.05495	0.7
81.07061	1.3
83.04967	0.3
91.05483	0.8
93.07040	2.0
95.08601	1.3
97.06533	7.3
105.07029	3.2
107.08602	1.7
109.06499	0.3
109.10152	3.4
111.08079	23.3
117.06998	0.4
119.08582	2.7
121.06478	0.5
121.10125	2.6
123.08065	1.2
123.11691	1.1
131.08603	0.8
133.10118	0.9
135.08052	5.1
135.11699	1.6
137.09618	0.9
145.10150	1.8
145.24594	0.3
147.11696	5.7
149.09624	0.7
159.11696	2.5
161.09639	1.9
161.13283	0.7
163.11182	4.9
164.11943	0.7
173.13248	0.3
176.11960	1.1
177.12680	0.5
189.12741	19.2
190.13197	0.7
201.16417	0.8
203.14188	0.4
204.15096	21.1
205.15453	0.8
219.17436	100.0
220.17793	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
54.44000	0.5
55.05512	2.9
56.96561	0.6
57.07074	2.1
59.04990	0.8
59.51359	0.6
61.23630	0.6
65.65070	0.8
65.92877	0.6
67.05502	5.1
69.07070	9.1
69.14677	1.9
69.15091	2.8
71.04990	1.2
79.05493	4.3
81.07056	20.1
83.04980	1.7
83.08617	3.6
85.06528	1.7
91.05474	6.8
93.07046	12.2
95.04952	2.1
95.08607	16.9
97.06542	4.2
97.10170	1.4
97.70108	0.6
98.23399	1.4
100.10844	0.5
105.07029	13.8
107.08598	12.8
109.06524	2.6
109.10153	11.0
111.08072	8.5
115.05473	1.2
116.06255	0.9
117.07006	3.1
119.08586	14.5
121.06528	4.7
121.10149	10.9
122.31506	0.6
123.08069	3.0
123.11698	1.7
125.09650	1.8
129.07019	1.2
130.07794	1.0
131.08582	8.0
133.06512	0.8
133.10139	9.1
135.08054	2.0
135.11697	9.5
137.09615	7.2
137.13258	2.4
139.11208	1.7
143.08572	1.2
144.05743	1.3
144.09361	1.0
145.06482	0.8
145.10124	24.5
147.11702	3.8
149.09630	4.7
149.13232	3.9
151.11183	2.2
154.46703	0.6
157.10162	1.2
158.07350	1.0
159.08089	3.2
159.11708	12.7
161.05963	2.5
161.13268	20.5
163.11189	22.1
163.14806	1.1
172.94164	0.8
173.13254	6.8
175.07541	1.0
175.14833	2.4
176.08318	2.2
177.12776	2.1
177.16422	2.0
187.07594	1.2
189.05446	1.4
191.08568	1.4
191.10658	1.6
191.14340	0.9
191.17981	4.1
201.16388	24.6
203.14439	1.5
204.07780	1.7
219.08020	5.6
219.10158	6.1
219.17444	100.0
220.17752	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03946	3.0
55.01849	1.2
55.05514	10.4
57.03424	0.9
57.07062	2.6
59.04996	1.4
65.03926	1.6
67.05505	28.2
69.03418	4.1
69.07067	14.5
69.21423	6.2
71.04985	3.0
71.08617	1.1
77.03967	1.0
79.05492	22.1
80.81213	0.9
81.07059	52.7
83.04990	2.9
83.08639	3.9
85.06531	2.1
91.05476	15.6
93.07043	53.5
94.07349	1.5
95.04965	3.0
95.08606	48.4
96.08950	0.8
97.06527	14.9
97.10168	2.7
98.22597	1.6
103.05515	1.0
103.93000	0.9
105.07032	39.8
107.04973	0.9
107.08595	41.9
109.06503	4.3
109.10153	24.7
109.10911	1.1
111.08075	3.8
111.11718	1.3
115.05451	1.5
117.07006	8.2
119.08583	26.1
121.06494	2.5
121.10139	23.7
123.08069	10.8
123.11688	3.5
125.09653	4.8
129.07011	1.4
130.07761	2.2
131.08569	20.8
133.10127	15.7
135.08073	2.0
135.11688	24.6
137.09615	2.6
139.20650	0.8
143.08530	1.2
144.09320	2.0
145.10123	34.9
147.11679	9.4
149.09671	4.2
149.13289	4.2
151.11235	1.9
157.10106	1.4
159.11697	27.4
160.12099	1.0
161.13252	28.2
162.13651	1.0
163.11194	6.5
163.14882	1.3
173.13245	9.4
175.14833	4.1
177.12737	1.8
177.16345	2.2
191.14334	1.2
191.17958	5.2
201.16380	55.5
202.16669	1.9
219.17438	100.0
220.17778	3.4
236.97360	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03931	1.1
55.01858	0.9
55.05509	11.6
57.03434	1.4
57.07067	3.0
59.05009	2.6
59.87218	1.0
66.50013	0.9
67.05170	1.5
67.05502	15.4
69.03435	2.0
69.07065	15.7
71.04996	8.5
79.05490	16.0
81.06580	2.2
81.07056	34.0
83.04970	4.1
83.08621	3.7
85.06525	4.8
90.22477	1.0
91.05472	20.6
93.07043	27.7
95.04958	4.1
95.08607	27.3
97.06519	6.1
97.10164	2.6
98.74077	1.1
103.05479	2.6
105.04546	1.7
105.07031	55.6
107.04926	1.2
107.08598	31.9
109.06497	7.7
109.10155	18.3
111.04451	1.3
111.08112	6.7
115.05435	1.8
117.07025	11.8
119.08577	53.1
120.08876	1.3
121.06499	3.4
121.10143	23.9
123.08086	9.0
123.11715	4.6
125.09621	4.3
127.11189	1.0
128.06183	1.3
129.06982	4.3
130.07826	2.1
131.08563	20.1
133.06429	1.2
133.10129	30.7
134.10425	1.3
135.08047	7.2
135.11678	9.1
137.09608	8.1
137.13174	1.1
143.08615	1.6
144.05632	2.4
144.09326	2.9
145.06442	1.4
145.10124	33.7
147.08084	1.6
147.11682	9.8
149.09618	8.2
149.13231	5.5
151.11189	4.5
157.10164	3.2
158.07283	1.7
158.10828	1.5
159.08043	4.0
159.11694	39.5
160.12070	1.4
161.05881	1.1
161.09624	2.0
161.13258	62.2
162.13725	1.3
163.11176	12.2
173.13272	11.8
175.07478	1.3
175.14818	10.9
177.09235	1.2
177.12738	4.5
177.16333	4.9
186.13957	1.5
187.07565	2.0
189.06978	5.1
189.09180	1.3
189.12810	1.4
190.07796	2.2
191.07065	1.3
191.08597	3.6
191.10591	1.7
191.14299	2.5
191.17970	3.0
201.09149	1.8
201.12708	2.3
201.16386	38.0
202.07774	2.0
202.16696	1.8
203.08533	8.4
203.14323	9.7
204.09346	13.5
205.10078	3.1
205.15848	3.4
217.10208	1.2
218.10983	1.1
219.06410	1.1
219.08054	10.0
219.11812	35.5
219.13858	6.4
219.17438	100.0
220.08662	1.3
220.12245	4.4
220.17851	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
50.43320	0.8
53.03946	2.1
55.05511	6.9
56.96573	1.2
57.07066	2.4
59.04998	1.9
65.03941	1.3
67.05507	10.9
69.07069	11.5
71.04726	0.7
71.04996	7.0
71.30430	1.0
79.05498	10.7
80.78014	0.9
81.07057	30.4
83.04976	3.5
83.08604	5.0
85.06544	2.5
87.08112	1.6
89.92980	0.9
91.05478	34.2
93.07048	23.0
95.04974	2.3
95.08602	23.2
97.06526	7.4
97.10174	1.1
99.08102	1.8
105.07030	39.7
107.04927	2.4
107.08595	24.4
109.06524	5.4
109.10158	15.0
111.08077	3.3
115.05450	2.5
116.06257	1.0
117.07024	12.8
119.08582	43.9
121.06498	5.2
121.10143	19.0
123.08061	4.8
123.11710	37.7
125.09626	12.5
129.07033	4.4
130.07762	2.8
131.08562	17.6
132.05637	1.0
133.06470	2.2
133.10130	43.9
134.10443	1.4
135.08076	3.1
135.11711	7.4
137.09598	4.6
139.07520	0.9
143.08557	3.7
144.09335	3.4
145.06456	3.3
145.10129	29.4
146.07347	4.3
146.10847	1.3
147.04431	1.7
147.08061	4.9
147.11673	9.4
149.09613	3.2
149.13266	5.4
151.07579	4.6
157.10115	3.5
158.07256	2.0
158.10808	1.5
159.08049	6.3
159.11700	34.8
160.08847	2.5
161.05988	3.1
161.09605	4.8
161.13261	43.9
162.06754	5.4
162.13637	1.6
163.07451	1.4
163.11179	8.8
171.11693	1.7
172.08809	2.5
172.94316	0.9
173.09628	21.8
173.13266	10.7
175.07542	12.9
175.11223	1.9
175.14833	23.5
176.08359	5.5
177.09111	19.8
177.12770	3.4
177.16365	18.2
186.13889	0.9
187.11182	1.9
188.11961	22.9
189.09117	6.2
189.12457	1.0
190.09871	16.6
190.95358	1.5
191.10646	4.1
191.14294	2.8
191.18056	2.4
201.12698	2.7
201.16383	33.3
202.16772	1.3
203.08603	2.9
203.14342	4.3
204.09351	5.0
204.11450	9.3
205.10031	0.9
205.15904	1.6
217.12297	1.4
219.11719	11.7
219.13808	100.0
219.17374	72.8
220.12305	1.5
220.14211	3.2
220.17729	2.1
229.71402	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
55.05511	3.9
57.07064	1.5
59.04987	1.0
65.97728	0.7
67.05503	9.8
69.03414	0.8
69.07072	7.1
69.72485	3.7
71.04977	1.6
77.03971	0.8
79.05490	5.6
81.07060	12.8
83.04984	2.2
83.08603	1.7
85.06522	1.7
91.05483	6.5
93.07043	14.2
95.04962	2.2
95.08608	10.6
97.06538	1.9
97.10156	0.9
105.07030	22.8
107.08595	16.3
107.32760	0.8
109.06509	3.1
109.10157	12.3
111.08097	2.8
117.07009	5.3
119.08576	16.3
121.06532	1.4
121.10146	13.8
123.08078	1.9
123.11703	1.2
125.09604	1.6
129.06995	1.5
130.07828	1.4
131.08572	11.0
133.10123	10.6
135.08032	1.2
135.11684	5.7
137.09634	5.1
143.08572	1.3
144.09334	1.5
145.10123	22.4
147.11685	13.2
149.09604	2.7
149.13275	6.2
151.11198	1.8
154.31088	0.8
157.10042	1.6
159.08092	1.2
159.11693	38.6
161.13242	19.7
163.11185	8.9
163.14757	0.8
173.13271	7.7
175.14842	2.4
177.12718	6.4
177.16400	1.0
182.51746	0.7
190.96689	0.8
191.08632	1.0
191.14207	0.9
191.17987	1.4
201.09055	1.0
201.16389	37.7
202.16687	1.6
203.08490	1.2
203.14288	1.2
204.09340	3.1
219.11919	5.5
219.13910	2.4
219.17442	100.0
220.17775	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
50.24629	1.5
53.03948	4.1
55.01874	1.9
55.05515	12.1
57.03432	3.6
57.07061	3.3
59.85120	1.6
65.03931	1.9
67.05170	2.2
67.05499	22.3
69.03419	2.2
69.07065	11.9
69.16106	12.3
71.04980	7.3
79.05504	19.7
81.03406	2.9
81.07053	41.9
82.59157	1.6
83.04979	3.6
83.08609	5.1
85.06554	2.5
91.05485	26.3
93.07045	33.6
95.04973	4.8
95.08606	42.4
97.06521	7.2
97.10143	2.7
102.58703	1.7
103.05438	4.9
105.07024	55.2
107.04960	5.0
107.08591	33.0
109.06522	5.5
109.10149	23.9
111.08073	5.5
115.05447	8.5
116.06168	1.8
117.07001	14.8
119.08575	37.6
121.06489	5.7
121.10143	25.0
123.04530	1.6
123.08073	9.6
123.11697	7.4
125.09634	5.7
128.06224	6.6
129.06998	27.7
130.07811	4.1
131.04938	7.9
131.08553	51.8
133.10124	30.5
135.04356	2.6
135.08015	5.9
135.11700	14.8
137.06039	2.2
137.09631	6.1
139.11270	1.7
141.06970	24.4
143.08554	4.7
144.05678	5.3
144.09311	3.0
145.06465	5.7
145.10120	47.0
146.10822	1.9
147.08087	1.9
147.11678	15.8
149.09595	4.7
149.13251	6.8
157.06444	11.8
157.10019	3.7
158.07265	17.0
159.04362	5.5
159.08054	26.4
159.11679	51.6
160.05217	5.5
161.06001	2.7
161.09595	5.0
161.13242	34.4
163.03897	5.1
163.07526	4.0
163.11159	10.2
163.14822	2.9
169.06447	9.8
170.07239	3.5
173.05920	4.0
173.09621	3.3
173.13245	22.2
174.06758	51.2
175.07564	14.7
175.14813	9.0
177.09145	4.2
177.12769	4.3
177.16367	2.1
182.39746	1.9
186.06754	11.8
187.07475	3.5
188.08327	3.4
189.09099	62.2
190.09413	3.8
191.03365	8.3
191.10686	5.2
191.14273	4.1
191.17937	4.7
201.09102	27.4
201.12773	4.0
201.16376	52.1
203.14357	3.3
219.02859	7.7
219.08008	3.1
219.10153	65.5
219.13802	10.0
219.17422	100.0
220.10559	2.3
220.17238	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03950	1.6
53.34429	1.0
55.05514	9.5
57.03439	1.2
57.07069	3.9
59.04993	1.2
63.20175	1.0
67.05502	14.0
69.03416	2.5
69.07072	12.0
71.04997	4.9
71.31503	1.5
71.31855	1.2
79.05497	12.5
81.03411	2.2
81.07056	30.4
83.04965	4.2
83.08602	4.5
85.06537	4.5
91.05481	26.6
93.07052	25.0
95.04952	3.5
95.08045	2.0
95.08608	27.9
97.06548	6.6
97.10152	1.5
99.08070	1.4
103.05464	4.3
104.06257	2.1
105.07031	49.1
105.07751	2.4
107.04953	2.5
107.08601	30.8
109.06519	6.1
109.10159	19.4
111.08067	4.1
115.05457	10.4
116.06229	4.2
117.07014	17.7
119.04897	1.1
119.08579	38.0
120.09392	1.7
121.06498	6.3
121.10149	21.2
123.08080	5.2
123.11702	4.5
125.09600	3.5
128.06207	7.6
129.07010	21.8
130.07820	5.4
131.04910	8.1
131.08566	38.3
132.05698	3.8
133.06502	1.7
133.10129	24.0
135.04414	1.2
135.08034	5.6
135.11691	14.4
137.05954	2.1
137.09592	2.8
139.11212	1.2
141.06979	18.0
142.07634	1.1
143.04996	1.6
143.08530	4.1
144.05711	4.0
144.09348	2.5
145.06482	7.2
145.10126	51.2
146.07254	2.7
146.10622	1.5
147.08034	4.3
147.11661	10.6
149.06039	1.3
149.09625	5.4
149.13289	2.9
151.03842	1.9
151.07529	1.3
151.11160	1.7
156.05754	1.2
157.06490	9.7
157.07600	1.8
157.10109	3.3
158.07275	10.2
159.04407	1.5
159.08057	17.5
159.11700	41.4
160.05228	7.1
160.08507	1.5
161.05988	1.6
161.09595	4.0
161.13260	33.6
162.06691	1.5
162.13602	1.2
163.07527	2.6
163.11191	7.2
163.14847	2.9
167.65091	1.1
169.06483	5.6
170.07224	2.1
172.97305	1.1
173.05945	1.6
173.09592	3.2
173.13274	17.1
174.06758	35.6
175.07530	30.7
175.11081	1.7
175.14851	11.9
177.05493	12.3
177.09093	5.2
177.12724	6.1
177.16396	5.8
183.11546	1.2
186.06761	8.6
188.08319	2.6
189.09106	41.4
190.09375	1.3
191.06979	1.2
191.10689	3.8
191.14362	2.9
191.17882	3.4
197.13153	1.2
201.09117	15.8
201.12685	4.9
201.16377	40.8
202.16812	1.2
203.14354	7.9
205.15858	4.4
219.06578	18.0
219.10144	67.5
219.13959	14.8
219.17435	100.0
220.10568	3.8
220.17807	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
54.28748	1.2
55.05509	12.1
57.07074	5.8
58.07426	1.5
62.60889	1.2
65.03940	1.8
67.05495	13.9
69.03426	2.8
69.07067	10.6
70.06593	3.0
71.04993	16.9
71.06908	2.8
71.41358	1.2
73.81361	1.0
77.03940	1.6
79.05477	17.3
81.06573	2.5
81.07053	38.8
83.04965	5.1
83.08609	4.6
85.06517	1.5
88.07639	5.8
89.07961	3.7
91.05474	35.4
93.07033	35.1
95.04980	2.2
95.08598	25.4
97.06535	7.3
97.10139	2.4
98.22627	2.4
102.09118	1.9
103.05432	2.4
105.07026	80.7
106.07327	1.8
106.08649	2.9
107.08575	30.6
109.06499	5.9
109.10142	15.6
111.08067	3.7
115.05434	4.6
116.06212	2.5
117.06986	11.8
118.07858	1.6
119.08578	28.8
121.06499	4.3
121.10130	21.9
123.08091	5.9
123.11705	6.9
125.09621	18.9
127.11156	1.3
128.06230	4.0
129.06999	16.2
130.07761	2.9
131.04921	2.8
131.08560	33.2
133.10124	100.0
134.10442	3.0
135.08055	4.0
135.11674	9.4
137.09653	2.8
139.11154	1.8
141.06958	12.7
143.08585	4.7
144.05711	1.6
144.09328	2.8
145.06459	3.6
145.10114	29.4
146.07193	1.9
147.08092	1.5
147.11679	17.2
149.09624	4.4
149.13254	3.5
151.03894	1.3
157.06477	6.9
157.10030	1.4
157.17813	2.1
158.07224	8.2
158.10893	2.6
159.08018	8.3
159.11691	31.4
160.05151	1.8
161.05946	1.6
161.09631	3.1
161.13229	16.4
163.11165	12.1
169.06470	4.6
170.07205	2.5
173.05981	1.7
173.13281	10.5
174.06758	24.4
175.07480	5.2
175.14803	4.9
177.12714	4.0
177.16383	4.0
186.06734	5.9
187.07521	2.1
189.09096	29.1
191.10582	2.9
191.17955	2.8
201.09125	10.7
201.16382	29.5
201.20367	3.0
212.03711	1.2
219.08015	1.7
219.10167	32.4
219.13969	2.8
219.17432	84.5
219.21461	55.5
220.10320	1.5
220.17789	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03937	3.9
55.01867	2.2
55.05510	14.7
55.81042	1.3
56.28626	1.3
57.07066	4.3
59.04998	3.0
67.05504	42.0
68.97871	1.3
69.03387	1.2
69.07063	14.3
69.24535	10.4
71.04984	17.3
71.06898	1.6
78.71181	1.3
79.05493	22.7
81.07057	61.0
83.04978	9.3
83.08627	3.6
85.06545	4.0
88.07599	2.2
91.04900	1.6
91.05475	34.0
93.07036	42.6
93.81826	1.2
95.04973	8.9
95.08604	33.6
97.06535	12.5
97.10146	2.5
99.08116	2.2
103.05475	3.2
105.04523	2.1
105.07031	85.5
106.66357	1.3
107.04992	1.6
107.08591	35.5
109.06506	11.6
109.10150	45.5
111.08084	11.3
113.64703	1.5
115.05431	2.3
117.07013	15.4
119.08574	33.3
121.06496	4.9
121.10146	26.3
123.04482	2.2
123.08054	7.2
123.11693	6.0
125.09621	23.4
129.06998	5.0
130.07762	2.4
131.08568	27.4
133.10127	100.0
134.10417	1.8
135.08043	6.1
135.11707	12.8
137.09608	20.7
143.08597	2.5
144.09308	2.6
145.10110	39.0
145.11234	1.9
147.11703	19.9
149.09612	7.2
149.13272	5.7
151.11188	6.3
157.06409	2.0
158.10876	2.6
159.08090	2.2
159.11681	33.0
161.13264	18.1
163.11176	12.3
173.13268	9.3
174.06734	3.9
175.14815	7.6
177.12704	3.9
189.09082	4.8
189.12750	2.6
191.17943	2.3
201.09138	2.0
201.16382	36.8
201.20435	1.9
203.14284	1.5
204.15044	3.0
214.40454	1.3
219.10132	6.2
219.17439	95.1
219.21458	19.2
220.17693	3.9
231.15683	1.5
231.92354	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03932	2.5
55.01867	1.7
55.05514	12.3
57.07066	4.0
59.04983	2.2
61.43043	1.2
65.03918	2.0
67.05505	23.0
69.03421	5.4
69.07074	15.4
70.45906	2.6
71.04987	4.5
77.03921	1.6
79.05495	19.4
81.03378	1.4
81.07053	51.5
83.04955	4.4
83.08614	6.4
85.06528	2.2
91.05473	18.7
93.07042	36.9
93.07626	2.6
95.04957	5.6
95.08605	46.3
97.06528	11.2
97.10165	4.5
103.05457	2.1
105.07027	43.0
107.08593	36.7
109.06518	10.4
109.10152	30.0
111.08080	9.2
115.05441	2.3
117.07032	7.5
119.08581	31.7
121.06483	4.5
121.10144	26.0
123.04428	5.3
123.08038	10.5
123.11700	7.2
125.09615	5.2
128.06218	2.0
129.07031	6.5
130.07814	3.7
131.04921	2.7
131.08566	25.4
133.10123	23.7
135.08078	6.4
135.11691	19.3
137.05933	1.6
137.09613	7.1
141.06964	4.0
143.08557	2.8
144.09337	1.7
145.10120	45.7
147.11688	12.5
149.09622	7.2
149.13263	4.8
151.03905	4.2
151.11160	3.0
157.06435	1.6
157.10107	2.3
158.07283	3.7
159.08037	3.9
159.11687	35.0
161.09637	2.5
161.13246	30.6
163.11203	13.5
163.14861	2.6
173.13235	11.0
174.06779	10.0
175.07442	2.1
175.14796	12.5
177.12775	6.8
177.16263	3.2
189.09140	10.2
191.14258	2.2
191.17909	4.3
201.09099	2.8
201.16382	46.1
202.16542	1.8
203.14343	3.0
212.58530	1.3
219.10081	12.8
219.13927	2.6
219.17427	100.0
220.17740	3.9
233.71887	1.2
239.61548	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	Occidol
Peak:m/z	Relative Intensity
53.03927	0.8
55.05500	2.1
57.03426	1.7
57.07063	1.5
58.81715	0.6
67.05498	3.9
69.07062	2.6
69.53096	0.6
70.53474	1.3
71.04990	2.2
75.70429	0.6
77.03940	0.9
79.05495	3.4
81.07056	7.1
83.04974	2.1
83.08599	1.0
85.06516	1.3
91.05480	17.4
93.07041	7.1
95.04955	1.3
95.08603	7.8
97.06504	2.0
103.05455	2.9
105.07024	14.6
107.04980	0.6
107.08585	8.1
109.06478	1.4
109.10162	4.6
111.08054	2.0
115.05450	10.6
116.06268	4.5
117.07011	6.9
119.08579	10.6
121.06464	1.2
121.10133	6.4
123.08051	1.3
123.11682	1.4
125.09643	1.2
128.06210	11.4
129.07004	42.2
130.07735	2.8
131.04926	9.4
131.08568	45.9
132.08926	1.1
133.10144	6.4
135.08058	2.5
135.11670	2.9
137.05983	4.9
137.09622	1.2
140.06241	0.9
141.06987	39.2
142.07596	0.8
143.04887	2.0
143.08594	3.1
144.05722	6.2
145.06453	8.2
145.10138	12.9
146.07291	5.6
147.04353	0.8
147.07988	1.0
147.11670	1.4
148.05205	1.7
149.09615	1.0
149.13271	1.4
151.07539	1.0
151.11198	0.9
155.06036	1.8
156.05655	0.8
157.06487	24.2
157.10059	1.3
158.07281	22.6
159.04457	3.3
159.08057	27.6
159.11674	11.6
160.05205	6.2
161.05920	1.3
161.09628	3.2
161.13246	6.9
162.06804	1.5
163.07535	2.4
163.11166	3.0
168.05707	1.2
169.06473	16.0
169.07561	1.1
170.07248	7.2
171.04361	0.8
171.08054	1.5
172.05138	0.9
172.94237	0.9
173.06024	4.9
173.09668	0.9
173.13245	5.0
174.06761	82.8
175.07532	14.4
175.14836	3.6
177.09079	0.7
177.12712	1.3
177.16393	2.4
185.06041	1.6
186.06764	20.8
187.07378	2.1
188.08339	3.9
189.09103	96.9
190.09442	3.3
191.07063	1.5
191.10635	8.6
191.14326	1.3
201.09097	40.6
201.16406	9.4
202.09477	2.0
203.14392	1.2
205.15926	0.8
219.10158	100.0
219.13702	3.4
219.17430	25.6
220.10509	4.6
220.17798	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
55.05511	3.1
55.36994	0.5
56.32040	0.5
56.96551	0.6
57.07068	1.6
65.03937	0.5
65.10317	0.4
67.05510	5.4
69.03425	2.2
69.07079	5.8
70.99371	0.9
71.04987	1.6
79.05489	4.5
79.19884	0.5
81.07058	11.9
83.04993	2.9
83.08614	1.6
84.18655	0.5
85.06525	1.7
91.05475	6.7
93.07052	8.5
95.05021	1.0
95.08604	10.2
97.06527	3.1
97.10172	0.6
105.07034	16.5
107.04974	0.5
107.08591	9.0
109.06528	4.8
109.10161	10.1
111.08076	2.3
115.05443	1.0
117.07038	3.6
119.08578	12.9
121.06505	3.9
121.10154	7.5
121.84382	0.5
123.08083	4.6
123.11709	9.1
125.09625	1.0
128.06215	0.6
129.06970	1.5
130.07767	1.4
131.08571	8.0
133.10139	8.0
135.08038	5.6
135.11690	4.9
137.09601	1.1
141.06935	1.0
143.08580	1.7
144.09344	1.1
145.06497	0.7
145.10127	13.6
147.08084	0.9
147.11681	3.4
149.09602	3.4
149.13268	0.9
151.11203	0.9
154.93132	0.6
155.08498	1.2
157.10170	1.2
158.07300	0.6
159.08067	2.2
159.11681	12.0
161.09659	1.5
161.13255	15.6
163.07498	0.6
163.11188	10.6
173.13289	9.2
174.06750	0.9
174.13565	0.6
175.07518	1.1
175.11263	0.8
175.14787	1.7
176.11955	1.8
177.12717	2.2
177.16379	1.2
183.11809	1.2
189.09129	1.7
191.10820	0.6
191.14343	0.8
191.17946	1.0
201.08990	0.9
201.12727	2.7
201.16399	10.2
203.14290	1.8
204.15126	0.5
219.10255	2.8
219.13858	4.2
219.17441	100.0
220.17799	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85437	0.6
55.01879	1.3
55.05516	1.1
56.45662	0.6
57.07079	8.1
59.05004	5.3
61.02929	0.7
67.05511	6.4
68.73422	0.6
69.07072	4.8
69.29364	4.9
70.02953	9.2
71.01345	0.6
72.04523	17.0
73.02916	4.3
74.02454	1.8
75.04457	1.2
76.20847	0.6
81.07075	0.7
83.04987	0.8
85.06547	12.4
86.09705	1.6
87.08103	2.3
90.05558	100.0
91.05881	0.7
95.04967	7.9
96.08141	2.7
98.02415	17.7
100.03983	3.0
103.07585	7.6
113.06017	3.6
115.48669	0.6
116.03461	12.7
124.07594	18.6
131.07054	1.4
132.10257	0.7
142.08633	7.8
149.41559	0.7
156.10207	1.4
160.03262	1.6
160.09720	3.2
166.08667	2.8
174.11302	1.7
177.12659	0.7
178.66348	0.6
184.09698	21.4
202.10754	29.1
205.15889	8.1
220.11816	24.7
220.17844	3.4
221.12099	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01878	1.0
55.05514	0.7
56.01389	1.0
56.46972	0.5
57.07079	6.2
59.05006	4.4
61.32458	0.6
67.05511	5.6
68.05054	0.7
69.07064	4.9
69.50651	1.3
69.51054	2.1
70.02963	6.5
71.01381	0.6
72.01706	0.5
72.04517	17.2
73.02940	3.4
74.02438	1.2
75.31978	0.6
83.04982	0.7
85.06549	10.3
86.09704	1.9
87.08099	2.4
90.05557	100.0
95.04966	6.3
96.08128	1.5
98.02423	15.7
99.08123	0.5
100.03962	2.4
103.07578	7.8
104.04266	0.6
112.07597	0.9
113.06017	3.1
116.03465	14.3
124.07596	18.0
131.07045	0.7
142.08649	8.8
160.03316	0.7
160.09666	2.2
166.08641	2.7
174.11264	1.8
184.09706	18.9
202.10748	28.2
202.12643	1.4
205.15976	3.0
220.11809	26.3
220.17827	1.3
221.12190	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26152	1.0
69.41978	5.5
79.05485	1.4
81.07058	1.4
91.05437	4.7
91.37198	1.0
93.07063	1.3
94.59535	1.0
98.23383	1.1
103.05442	1.5
105.07012	3.6
107.04977	1.4
107.08585	1.5
109.06542	1.1
110.12478	0.9
115.05431	2.7
116.06202	1.3
117.07014	7.6
119.08604	2.5
120.08145	1.3
121.06519	2.0
128.06186	2.9
129.06979	2.0
129.11662	0.9
130.06528	11.5
131.17781	0.9
132.04442	3.0
133.06444	1.5
134.07265	1.8
137.05978	1.2
143.04924	1.2
143.08577	1.8
144.05716	1.9
144.08113	6.7
145.06520	1.6
145.84674	0.9
147.04419	2.4
147.08057	1.9
147.11626	1.1
148.07568	3.2
150.06856	1.0
151.07494	2.5
152.06572	1.3
158.06032	5.3
160.05090	1.3
161.04727	1.8
161.05977	20.3
161.09647	1.6
162.06760	8.6
163.03845	1.6
163.07556	1.3
164.07013	1.3
165.09071	1.0
168.23053	1.0
171.08011	2.0
173.09749	1.1
175.03896	1.7
175.07520	9.0
175.08794	1.2
175.11127	1.6
176.07060	10.3
177.09109	100.0
178.09444	2.0
179.07051	1.2
189.05283	9.5
192.06525	2.3
193.08707	1.1
203.08276	1.3
203.10730	1.4
203.14316	1.5
204.06587	1.5
206.05719	1.4
206.16216	3.5
221.07848	96.0
221.15253	2.5
222.08147	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.1
55.01860	0.2
59.04999	0.1
67.05484	0.2
71.15664	0.1
71.15990	0.1
77.03941	0.1
79.05494	0.7
81.07036	0.2
89.03909	0.1
90.04704	0.1
91.05477	1.8
93.07020	0.2
95.05004	0.1
95.08594	0.3
103.05484	0.5
104.06233	0.1
105.07021	1.4
107.04942	0.5
107.08597	0.2
115.05461	0.7
117.07016	0.7
118.04153	2.5
119.04951	0.2
119.08571	0.5
121.06531	0.3
121.10079	0.1
123.08064	0.2
123.98566	0.1
128.06210	0.1
131.04927	1.6
131.08603	0.1
132.05751	0.6
133.06454	0.2
133.10143	0.4
135.08092	0.1
137.06078	0.1
143.08569	0.2
144.08093	0.1
145.06517	0.2
145.10118	0.2
146.03621	1.8
146.07329	0.1
147.04228	0.1
147.08051	1.4
147.11731	0.2
149.05942	0.7
151.07535	0.2
159.04512	0.1
160.05222	1.0
161.05974	100.0
162.06317	2.8
163.07559	0.1
175.07549	7.2
175.14810	0.2
176.07878	0.1
177.05469	0.2
177.09132	1.4
178.06252	0.2
179.07028	1.9
193.08575	0.1
203.03346	0.2
203.07022	3.5
203.10733	0.1
203.14265	0.1
205.16048	0.1
206.16219	0.3
218.22334	0.1
221.08047	1.5
221.11697	0.2
221.15427	0.2
221.18793	0.1
235.45215	0.1
237.26192	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0808
Annotation	(+)-Cyclosordariolone
Peak:m/z	Relative Intensity
53.03940	0.1
55.01860	0.2
59.04999	0.1
67.05484	0.2
71.15664	0.1
71.15990	0.1
77.03941	0.1
79.05494	0.7
81.07036	0.2
89.03909	0.1
90.04704	0.1
91.05477	1.8
93.07020	0.2
95.05004	0.1
95.08594	0.3
103.05484	0.5
104.06233	0.1
105.07021	1.4
107.04942	0.5
107.08597	0.2
115.05461	0.7
117.07016	0.7
118.04153	2.5
119.04951	0.2
119.08571	0.5
121.06531	0.3
121.10079	0.1
123.08064	0.2
123.98566	0.1
128.06210	0.1
131.04927	1.6
131.08603	0.1
132.05751	0.6
133.06454	0.2
133.10143	0.4
135.08092	0.1
137.06078	0.1
143.08569	0.2
144.08093	0.1
145.06517	0.2
145.10118	0.2
146.03621	1.8
146.07329	0.1
147.04228	0.1
147.08051	1.4
147.11731	0.2
149.05942	0.7
151.07535	0.2
159.04512	0.1
160.05222	1.0
161.05974	100.0
162.06317	2.8
163.07559	0.1
175.07549	7.2
175.14810	0.2
176.07878	0.1
177.05469	0.2
177.09132	1.4
178.06252	0.2
179.07028	1.9
193.08575	0.1
203.03346	0.2
203.07022	3.5
203.10733	0.1
203.14265	0.1
205.16048	0.1
206.16219	0.3
218.22334	0.1
221.08047	1.5
221.11697	0.2
221.15427	0.2
221.18793	0.1
235.45215	0.1
237.26192	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.01855	0.6
55.05499	0.5
57.07059	0.6
71.01369	0.5
71.29137	0.7
73.04747	0.5
77.03912	0.5
79.05489	0.5
79.60874	0.4
81.07031	0.5
82.02933	2.0
87.80881	0.4
91.05471	1.3
93.07018	0.5
94.06561	4.2
95.04985	0.5
103.05467	0.9
104.05005	0.8
105.07005	1.0
107.08573	0.7
111.08015	0.5
115.05450	1.2
119.08587	0.8
120.08080	1.2
121.06462	0.5
128.06258	1.2
129.07005	3.3
130.06531	56.7
131.04884	0.6
131.06866	1.1
132.04454	40.1
133.04765	0.9
133.06482	0.7
134.26682	0.4
144.04497	0.5
146.06070	0.7
147.04485	0.5
147.08047	0.8
147.09146	0.8
147.11708	0.5
148.07608	1.3
156.06810	0.6
157.06488	1.9
157.07619	24.0
158.06012	74.5
159.06331	1.5
161.05969	4.4
161.07173	0.5
164.07062	0.7
175.08679	100.0
176.07101	2.9
176.09001	3.0
177.09085	3.3
185.05939	1.0
186.05547	1.4
188.05806	0.4
192.06593	2.0
193.08578	0.6
198.96962	0.8
203.07034	3.2
203.08371	2.1
204.06531	5.6
206.16199	3.2
216.97879	0.8
217.48874	0.4
221.05731	0.9
221.09264	20.2
221.15350	0.9
221.18518	1.4
222.09456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.2
55.01870	0.5
55.05509	1.0
57.03429	0.8
57.07074	0.4
59.76287	0.2
65.03947	0.2
67.05506	2.0
69.03413	0.3
69.07067	1.2
69.14809	1.2
69.15211	0.4
71.04991	0.5
73.02901	0.2
79.05491	2.0
81.07058	4.1
83.04969	0.3
83.08621	0.6
85.06487	0.2
91.05458	4.1
93.07050	3.1
95.04971	0.4
95.08041	0.3
95.08614	4.2
97.06530	0.5
99.04436	0.3
103.05470	0.4
104.06260	0.2
105.07030	6.0
107.04962	0.3
107.08598	2.9
109.06512	1.3
109.10159	1.5
111.08080	0.7
115.05432	1.9
116.06255	0.5
117.07024	5.6
119.04937	0.6
119.08583	5.7
121.06516	1.1
121.10122	1.2
123.08072	5.8
123.11692	0.4
125.09607	0.3
128.06216	1.3
129.06979	0.6
131.04913	0.5
131.08578	1.0
132.05737	0.4
132.21245	0.2
133.06509	1.4
133.10127	4.2
134.07274	0.7
135.04373	0.2
135.08083	1.1
135.11726	1.1
137.05997	0.6
137.09573	0.3
139.07553	0.2
142.07881	0.2
143.04887	0.3
143.08571	1.9
144.05693	0.7
145.06447	1.1
145.10104	1.2
146.07228	0.3
146.10527	0.2
147.04414	0.7
147.08075	1.2
147.11685	4.9
147.89082	0.2
149.09634	0.7
149.13289	1.3
151.02589	0.2
151.03902	0.5
151.07497	0.3
151.11156	0.2
157.10139	0.6
159.11662	0.6
160.05176	0.9
161.05972	3.0
161.09692	0.9
161.13266	2.1
162.06769	6.3
163.11172	0.7
163.14862	0.3
165.05640	0.4
165.06989	1.9
165.09122	0.3
165.12749	0.3
171.08054	0.7
173.05960	0.2
173.13374	0.3
175.07536	5.9
175.08922	0.4
175.11249	1.1
175.14827	6.5
176.15147	0.2
177.09111	100.0
178.07799	0.6
178.09450	3.3
179.07050	0.3
179.10681	0.5
179.14198	0.2
185.13292	1.1
186.55222	0.2
188.08340	0.3
189.05492	0.6
189.09134	0.2
193.06511	0.8
193.08537	0.4
193.15892	0.5
203.07048	0.4
203.10674	1.7
203.14304	3.8
203.17909	0.4
206.16174	0.9
212.31264	0.2
221.06204	2.3
221.08025	1.1
221.09674	1.5
221.11749	1.1
221.15347	5.8
221.18907	0.7
222.06583	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
67.49064	0.2
70.82389	0.5
79.05470	0.4
90.44032	0.3
91.05460	1.3
95.04960	0.3
103.05497	0.3
105.07034	0.3
114.76711	0.2
115.05457	1.6
116.06244	0.5
117.07024	5.5
119.04950	0.5
119.08576	0.5
120.08114	0.6
121.06504	0.6
128.06218	1.0
130.06535	5.0
131.04945	0.3
131.90756	0.2
132.04431	0.9
133.06491	0.9
134.07277	1.2
135.08052	1.1
143.04823	0.3
143.08548	1.1
144.05705	0.6
144.08080	0.5
145.06450	1.3
147.04433	0.5
147.08031	0.5
148.07605	1.3
149.09608	0.3
151.07523	0.4
153.06883	0.3
158.06015	1.9
160.05240	0.4
161.05991	3.9
161.07222	0.4
162.06778	5.9
163.03920	0.4
164.25908	0.2
165.09109	0.4
166.40170	0.3
171.08049	0.8
175.07553	3.3
175.11122	0.3
176.07069	4.4
177.09114	100.0
178.09492	3.5
179.07111	0.3
203.06952	0.3
203.10689	0.7
206.16237	0.4
221.08099	0.6
221.11729	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1171
Annotation	Flossonol
Peak:m/z	Relative Intensity
53.03920	0.5
55.01861	1.5
55.05505	1.2
57.03424	0.5
59.04997	0.8
65.03931	0.8
66.88074	0.4
67.05499	2.1
69.03416	1.0
69.07065	1.0
70.64047	0.9
71.05006	0.7
79.03976	0.5
79.05486	3.0
81.07044	2.2
82.14425	0.4
83.04990	1.0
87.30536	0.4
91.05476	15.5
93.07025	2.5
95.04968	1.0
95.08598	1.5
97.02876	0.8
97.06512	1.2
98.23302	0.6
103.05486	2.7
103.06044	0.5
104.06245	2.6
105.03411	0.5
105.06375	0.9
105.07027	10.7
107.04977	2.7
107.08589	2.8
109.06496	1.7
109.10137	1.4
115.05446	9.6
116.06232	1.4
117.07018	18.1
119.04961	2.8
119.08577	5.3
120.08074	1.8
121.06494	5.6
121.10135	1.4
123.04401	0.6
123.08031	1.1
123.11642	0.6
128.06216	15.3
129.07010	3.1
130.06525	19.4
130.07652	0.9
131.04910	4.5
131.08556	1.7
132.04443	4.2
132.05696	5.8
133.06474	3.7
133.10078	2.8
134.07263	1.2
135.08054	3.0
135.11742	0.7
137.05943	3.3
141.06972	1.2
142.07808	1.2
143.04906	1.3
143.08546	9.9
144.05679	1.5
145.06477	11.3
145.10115	4.1
146.07268	7.5
147.04378	2.2
147.08047	8.9
147.11665	1.8
148.07565	5.2
149.05994	2.0
149.09572	2.4
151.07533	1.9
153.06978	1.1
155.06029	1.5
156.05630	0.6
157.06479	0.9
157.10109	1.0
158.06013	4.5
158.07220	0.6
159.04420	2.6
159.06955	0.5
159.08044	3.2
160.05183	5.7
160.08807	5.3
161.05972	11.6
161.09628	9.0
161.13222	1.6
162.06761	12.0
163.07574	2.6
163.11160	0.8
164.08379	0.7
165.07045	0.6
165.09082	2.1
170.07222	1.2
171.08034	4.0
172.08824	1.4
173.05991	1.8
173.09575	0.8
174.06776	2.8
175.07539	100.0
175.11113	14.7
176.06970	13.6
177.09100	26.5
178.09413	0.6
179.07054	5.0
179.10699	0.8
180.07521	0.5
185.09575	0.8
185.13177	0.6
187.07567	1.3
188.08325	5.0
193.08568	1.6
193.12247	1.1
200.67137	0.5
203.07025	1.1
203.10657	28.7
203.14204	1.1
204.06465	0.6
204.10999	0.7
206.16107	0.9
221.08118	4.1
221.11717	50.3
221.15324	2.8
222.07562	0.8
222.12041	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1171
Annotation	Flossonol
Peak:m/z	Relative Intensity
53.32760	0.5
55.01889	1.4
55.05519	0.9
57.03425	0.8
65.42525	0.6
67.05495	2.5
67.82738	0.6
70.57294	0.8
70.57621	0.9
71.04981	1.0
73.89113	0.6
78.04730	0.6
79.05505	3.2
80.21359	0.5
81.07059	3.2
85.28577	0.6
91.05470	11.8
93.07047	3.4
95.04967	1.2
95.08605	2.6
97.06525	0.9
103.05471	2.7
104.06239	2.0
105.07027	11.9
107.04942	2.7
107.08646	3.0
109.06535	1.4
109.10160	1.2
115.05455	9.8
116.63997	0.6
117.07018	16.2
119.04932	2.5
119.08584	7.6
121.06506	4.3
121.10117	1.3
123.08090	0.7
123.11746	0.7
128.05260	0.7
128.06218	12.8
129.07031	3.0
130.04097	0.6
130.07730	0.8
131.04944	3.2
131.08524	3.0
132.05687	5.0
133.06500	4.1
133.10149	3.9
134.07234	0.7
135.08025	3.0
135.11664	0.8
137.06003	3.7
141.06990	0.9
142.07822	1.3
143.04913	1.1
143.08569	9.3
144.05699	2.0
144.08034	0.9
145.06488	10.3
145.10139	3.5
146.07277	7.6
147.04417	3.0
147.08051	9.9
147.11644	3.1
148.05226	1.3
149.05931	1.7
149.09625	2.0
149.13277	0.8
151.07500	1.0
153.06995	0.9
155.06097	1.3
157.10112	1.5
158.07166	1.1
159.04442	2.8
159.08072	3.0
159.11682	0.9
160.05190	5.1
160.08829	5.0
161.05986	34.0
161.09616	8.9
161.13261	2.3
162.06761	9.5
163.07501	1.3
164.07001	0.7
165.07011	1.2
165.09103	2.0
170.07262	1.0
171.08060	4.2
172.08763	1.2
173.06021	1.5
173.09714	0.6
174.06702	2.0
175.07545	100.0
175.11108	14.3
175.14793	1.7
176.07870	2.5
177.05470	1.4
177.09111	29.5
178.09396	1.0
179.07114	1.1
179.10684	1.1
185.09624	1.4
185.13271	1.1
188.08330	3.9
191.06985	1.3
192.06575	0.8
193.08514	1.0
203.06845	3.2
203.10677	29.4
203.14319	2.1
203.17967	1.0
204.11012	1.3
205.22250	0.8
206.16260	2.6
221.06061	1.2
221.08058	2.6
221.09877	1.6
221.11723	43.3
221.15303	3.2
221.18777	2.4
222.12025	2.0
227.95782	0.6
239.09464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14135	0.1
55.01866	0.2
55.05500	0.5
57.03431	0.3
57.07072	0.2
67.05505	1.0
69.03429	0.2
69.07069	0.7
71.04975	0.3
71.11132	0.3
79.05482	1.0
81.07058	2.4
83.04982	0.2
83.08569	0.2
85.06493	0.2
91.05475	1.5
93.07050	2.0
95.04978	0.4
95.08604	1.8
96.08974	0.2
97.06532	0.4
99.08085	0.2
103.05450	0.3
105.07028	2.8
107.04969	0.2
107.08583	1.5
109.06522	0.4
109.10149	1.2
111.04382	0.2
111.08089	0.4
115.05455	1.5
116.06249	0.8
117.07012	5.9
119.04935	0.4
119.08576	2.4
119.86952	0.2
121.06478	0.6
121.10144	1.3
121.72720	0.2
123.08074	1.3
123.11703	0.4
128.06218	1.4
129.07018	0.3
131.04901	0.3
131.08551	0.4
132.05719	0.4
133.06505	1.0
133.10121	1.5
134.07266	1.1
135.08060	0.9
135.11671	0.5
137.05984	1.1
142.07747	0.2
143.08572	1.7
144.05672	0.8
145.06474	1.1
145.10176	0.8
146.07195	0.2
147.04420	0.4
147.08012	0.7
147.11676	2.4
149.09583	0.5
149.13243	0.2
151.07582	0.2
155.06013	0.2
157.10115	0.4
159.11592	0.2
160.05235	0.4
161.06029	0.8
161.09612	0.5
161.13289	1.1
162.06754	6.8
163.07135	0.2
163.11179	0.4
163.14874	0.4
165.06949	0.3
171.08051	0.6
175.07553	3.7
175.11209	0.5
175.14839	1.1
176.07881	0.2
177.09103	100.0
178.09450	3.5
185.13292	0.7
188.08325	0.4
189.52180	0.2
189.53923	0.2
190.06157	0.2
203.10677	1.3
203.12379	0.2
203.12701	0.2
203.14354	1.1
203.17970	0.6
221.05943	0.4
221.07990	0.3
221.09825	0.4
221.11752	1.5
221.15341	1.9
221.19077	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62326	0.1
55.01883	0.1
55.05501	0.3
57.03145	0.1
67.05498	0.2
69.03419	0.1
69.07072	0.3
69.37065	0.7
71.05008	0.1
79.05499	0.5
81.07059	0.7
83.08620	0.1
85.06541	0.1
91.05466	1.3
93.07047	0.7
93.66599	0.1
95.04981	0.1
95.08606	0.7
97.06492	0.1
98.22672	0.2
103.05441	0.1
105.07031	1.3
107.08599	0.6
109.06518	0.1
109.10146	0.4
111.08111	0.1
115.05452	1.7
116.06259	0.7
117.07022	5.3
118.07339	0.1
119.04936	0.3
119.08579	0.8
121.06498	0.4
121.10150	0.3
123.11702	0.2
128.06224	1.3
129.07025	0.2
131.04906	0.2
131.08563	0.2
132.05704	0.1
133.06502	0.9
133.10138	0.6
134.07271	1.3
135.08061	0.9
137.06044	0.2
143.08572	1.4
144.05705	0.8
145.06491	1.1
145.10112	0.3
146.07187	0.2
147.04433	0.3
147.08026	0.4
147.11699	0.7
149.02330	0.3
149.05925	0.2
149.09633	0.2
149.13271	0.1
151.03888	0.2
155.06041	0.2
159.08034	0.1
160.05203	0.4
161.05978	0.5
161.09607	0.1
161.13257	0.3
162.06764	5.9
163.07158	0.3
163.14915	0.2
165.07037	0.2
165.12695	0.1
171.08035	0.7
175.07547	3.2
175.11127	0.3
175.14838	0.4
177.09106	100.0
178.07880	0.3
178.09450	3.5
188.08299	0.1
203.10667	0.8
203.14323	0.3
203.17920	0.3
221.05997	0.1
221.09636	0.2
221.11720	0.3
221.15483	0.5
221.19043	0.6
222.11395	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
55.05510	1.0
57.07064	0.3
61.97816	0.2
61.98142	0.2
67.05516	1.8
68.76972	0.2
69.03426	0.4
69.07072	1.0
71.05003	0.4
71.30672	0.3
79.05503	1.8
81.07063	3.9
83.04956	0.5
83.08611	0.4
88.45745	0.2
91.05482	2.3
93.07042	2.6
95.04971	0.3
95.08616	2.4
97.06510	0.5
99.08089	0.3
100.83427	0.2
103.05466	0.5
105.07033	7.5
107.08591	3.2
108.69272	0.2
109.06536	0.5
109.10158	1.8
111.08115	0.3
113.09614	0.3
115.05469	1.6
116.06229	0.8
117.07024	5.2
119.04929	0.4
119.08591	4.0
120.08839	0.2
121.06530	0.5
121.10185	1.6
123.08073	0.3
123.11727	0.8
123.49612	0.2
125.09628	0.2
128.06226	1.7
129.06975	0.3
131.04953	0.4
131.08553	0.4
132.05667	0.3
133.06479	1.1
133.10146	3.1
134.07294	0.9
135.08060	0.6
135.11699	1.6
137.05986	0.3
137.09615	0.3
141.07066	0.3
143.08566	1.5
144.05685	0.6
145.06493	0.9
145.10149	1.6
147.04442	0.3
147.08047	0.8
147.11690	8.6
149.09637	0.5
151.03944	0.4
151.11160	0.4
151.37000	0.2
158.10786	0.3
159.11716	0.4
160.05237	0.5
161.05988	2.1
161.09619	0.7
161.13298	1.5
161.24704	0.2
162.06766	5.6
163.11179	0.5
163.14822	0.6
165.07027	0.8
165.09151	0.3
165.12791	0.4
171.08055	0.8
173.06017	0.2
175.07552	3.4
175.11217	0.4
175.14828	3.3
176.07576	0.3
176.15170	0.3
177.09116	100.0
178.09439	3.4
185.13379	0.4
189.09084	0.4
191.09715	0.6
193.06487	0.3
193.15781	0.3
203.10637	0.7
203.14264	1.6
203.17969	1.4
206.07346	0.2
206.16162	1.2
221.06215	1.1
221.09575	0.3
221.11790	0.4
221.15395	2.3
221.19043	1.7
221.22041	1.2
222.11298	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1538
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03936	5.7
55.01866	5.5
55.05516	17.3
57.07072	4.0
59.05001	8.4
63.49158	2.5
67.05506	25.9
69.07072	31.2
70.34087	5.1
71.04994	7.3
75.11364	2.3
79.05499	24.6
80.37064	2.9
81.03398	3.2
81.07056	51.8
81.86954	2.5
83.04986	15.1
83.08617	8.0
85.06536	7.0
91.05469	36.1
93.07053	70.6
95.04974	45.1
95.08616	49.0
97.06505	8.9
98.23270	2.7
105.07030	88.0
107.04969	3.9
107.08599	60.5
109.02866	6.2
109.06526	24.2
109.10169	23.0
111.08065	5.5
115.05505	3.8
117.07021	8.2
119.08586	90.1
120.08974	3.3
121.06532	3.4
121.10165	27.5
123.04440	3.0
123.08064	36.6
123.11739	6.4
125.05986	6.0
125.09653	6.8
127.07564	11.0
128.06206	3.3
129.06969	7.8
131.08557	5.6
133.06549	3.0
133.10136	46.1
135.08110	4.6
135.11699	11.5
137.05960	5.3
137.09625	9.0
137.13275	3.8
139.07549	5.9
140.30284	2.6
142.07785	3.2
143.08560	19.5
145.10126	19.5
147.08070	13.7
147.11700	31.5
149.13309	5.9
151.07552	6.1
157.10095	16.1
159.11711	17.1
160.08810	3.5
161.09621	28.7
161.13274	100.0
162.13626	3.5
163.14864	5.9
165.09157	22.3
170.10997	3.3
175.11243	6.0
175.14809	30.2
177.16393	9.5
178.07825	2.9
179.14389	4.9
185.13263	65.8
192.94775	2.5
203.14326	75.5
203.17953	33.3
206.16211	7.9
221.09621	5.0
221.11736	9.6
221.13309	5.4
221.15381	83.7
221.18916	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05513	10.7
57.07064	5.2
59.04999	3.3
64.30308	1.4
66.92332	1.5
67.05508	18.5
69.07076	12.5
69.43892	8.5
71.04990	2.7
73.11949	1.7
74.84341	1.4
79.05492	11.1
81.03439	2.0
81.07059	31.4
83.05015	1.9
83.08607	4.4
85.06541	1.8
91.05472	18.1
93.07046	20.8
95.04947	2.4
95.08609	50.0
97.10159	2.3
105.07030	66.3
107.08593	39.6
109.06458	2.2
109.10162	30.1
111.08084	4.2
117.06995	2.0
119.08585	48.8
119.09445	2.9
121.10150	23.3
123.11709	10.1
125.09628	2.7
129.07028	2.5
131.08553	4.3
133.10123	32.4
135.11679	10.9
137.09633	1.9
143.08505	1.9
145.10106	5.5
147.11687	100.0
148.11980	2.9
149.13304	3.9
152.75017	1.5
161.09593	3.3
161.13268	20.5
163.14815	19.5
165.12735	2.4
166.28642	1.6
171.71439	1.5
175.14841	6.7
177.16377	4.5
189.09109	2.3
193.10075	2.1
203.10600	1.5
203.17960	82.3
204.18332	4.7
206.10942	5.5
221.09663	3.7
221.11563	4.3
221.13237	6.1
221.15276	2.8
221.18987	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	(E,E)-3,7,11,-Trimethyl-1,4,6,10-tetraen-3-ol
Peak:m/z	Relative Intensity
52.03807	0.7
53.03942	1.6
55.05512	11.2
57.07075	1.9
63.79609	0.7
67.05503	6.7
69.07069	100.0
69.88349	1.2
69.88747	1.8
70.07401	0.8
71.04971	1.0
71.90430	0.6
73.23414	0.7
79.05491	10.6
81.07056	53.0
83.08620	2.5
89.65153	0.6
91.05481	5.9
91.69041	0.6
93.07047	21.7
95.04964	0.7
95.08605	12.8
97.06531	0.9
97.10176	1.6
105.07025	5.7
107.08601	7.0
109.10152	15.7
111.08092	4.4
111.11717	91.0
112.12038	1.9
119.08572	3.6
121.10131	5.0
123.11707	6.0
127.11172	1.9
133.10129	4.8
135.11702	1.9
139.11192	4.4
143.08598	1.0
147.11697	5.8
155.08748	0.6
161.13287	2.6
175.14841	2.0
178.07724	0.8
191.08563	1.6
192.09312	1.8
193.10101	1.0
203.17915	9.3
205.10121	1.2
206.10890	4.9
221.09676	1.1
221.13326	8.0
221.18997	36.8
222.19353	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03939	2.9
55.05513	31.8
57.03424	2.4
57.07074	7.5
59.04994	5.3
63.17153	1.6
67.04292	1.5
67.05507	49.6
68.90814	1.4
69.03405	1.7
69.07069	44.7
71.04994	9.7
71.08638	1.9
75.93909	1.4
79.05496	23.3
81.07060	88.9
83.04982	55.1
83.08625	17.1
84.49818	1.5
85.06529	4.9
85.10194	2.6
91.05463	14.0
93.07049	39.7
95.08610	85.7
96.08917	2.1
97.06514	5.4
97.10160	12.8
98.23408	2.6
99.08089	6.0
105.07033	60.1
106.07340	2.3
107.07853	3.3
107.08593	57.3
109.06498	9.7
109.10160	100.0
111.08099	7.7
111.11732	11.1
117.06957	1.8
119.08582	46.3
120.10851	1.6
120.55320	1.7
121.10149	33.0
123.08068	3.7
123.11712	24.9
125.09624	10.6
131.08556	2.4
133.07655	1.6
133.09100	2.0
133.10129	38.1
135.11710	14.4
137.09624	5.9
137.13240	5.8
139.11163	6.7
143.08600	2.7
145.10088	4.0
147.11696	55.5
147.12871	2.7
149.13263	7.2
151.11182	6.2
151.14883	2.2
153.12680	3.0
159.11716	2.7
160.12378	1.7
161.09625	3.1
161.13275	31.0
162.13704	2.4
163.14824	19.7
165.12766	9.1
175.14824	11.9
177.16386	7.2
178.07776	2.9
179.08578	2.2
186.89793	1.6
191.08559	7.2
192.09262	2.6
193.10136	2.4
203.10686	2.0
203.17961	97.3
204.18292	4.1
205.10152	3.1
206.10953	13.6
221.09645	5.9
221.13255	24.3
221.15451	5.1
221.19009	95.9
222.13695	2.7
222.19359	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	(E,E)-3,7,11,-Trimethyl-1,4,6,10-tetraen-3-ol
Peak:m/z	Relative Intensity
53.03943	2.1
55.01882	0.6
55.05508	11.3
57.07077	1.9
65.03913	0.6
67.05507	6.8
69.07067	100.0
69.33605	1.3
69.34029	2.2
70.07393	1.7
78.83144	0.6
79.05493	11.7
81.07056	52.8
82.07397	0.6
83.08627	2.2
91.05475	4.8
93.07043	20.5
95.04971	1.0
95.08604	11.6
97.09045	0.5
97.10184	1.3
105.07012	6.0
107.08587	6.9
109.10154	15.5
111.08084	5.2
111.11716	85.5
112.12069	1.4
119.08582	3.7
121.10127	4.2
123.11710	7.5
125.09600	0.6
127.11212	2.7
133.10132	3.1
135.11697	1.8
137.54620	0.5
139.11163	4.2
147.11688	4.3
161.13266	1.9
165.07022	1.4
175.14848	0.9
178.07744	4.6
179.08473	2.3
191.08563	6.8
192.09332	3.2
193.10150	3.5
203.17935	8.5
205.10077	3.1
206.07274	2.0
206.10887	16.6
207.11493	3.3
221.06116	0.6
221.09727	8.9
221.13234	26.4
221.18994	37.1
222.10271	1.8
222.13745	2.5
222.19382	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.31659	1.6
53.03933	2.5
55.05516	9.6
57.07078	10.8
59.05002	1.8
61.39611	1.5
66.79682	1.5
67.05512	11.7
69.07069	14.6
69.51540	9.1
71.04987	5.4
72.42327	1.8
79.05489	11.9
81.07052	33.2
83.08627	3.8
85.06525	5.4
86.61483	1.5
91.05476	14.1
93.07043	27.6
95.08604	49.0
99.08060	4.4
101.12686	1.6
105.07027	62.2
106.07362	1.9
107.08590	47.7
108.08869	1.6
109.06503	2.2
109.09457	2.0
109.10152	25.7
111.08067	9.0
112.16460	1.8
113.09653	1.7
119.08575	49.4
120.74219	1.6
121.10128	19.8
123.08051	7.5
123.11705	22.1
125.09595	4.7
127.11237	1.9
131.08548	1.8
133.10118	31.9
135.11697	56.2
145.10085	2.8
147.11685	74.1
148.11957	2.7
149.13248	9.3
149.55222	1.8
149.65103	1.6
151.11227	3.3
159.11690	3.0
161.13254	31.0
163.14784	15.2
165.12752	6.7
175.14806	4.4
177.16389	6.8
203.17946	100.0
204.18271	3.6
221.15652	3.0
221.18997	80.6
222.19351	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03920	1.9
53.59336	1.7
54.29558	2.0
55.05519	9.8
57.07078	12.4
60.21981	1.8
61.50332	2.3
67.05502	18.7
69.07059	13.9
69.14751	6.7
69.15176	9.0
71.04997	4.7
71.99728	2.3
79.05477	11.7
81.07053	37.3
83.08612	6.2
85.06551	5.8
85.18647	1.8
91.05486	11.7
93.07040	23.5
95.08602	54.4
97.10176	2.7
98.22591	4.1
105.07023	55.6
106.07321	2.5
107.08591	47.9
109.06498	2.3
109.10155	37.3
111.08074	8.4
113.09657	2.3
119.08570	38.5
120.08791	2.2
121.10138	25.5
123.08063	8.7
123.11700	23.2
125.09657	5.0
133.10110	31.0
135.11691	35.2
137.13251	4.3
143.08562	2.0
145.10127	5.1
147.11679	81.3
149.13246	7.2
151.11229	3.3
156.93933	1.9
161.13252	30.2
163.14816	15.5
165.12729	6.1
175.14813	7.1
177.16399	7.3
189.09019	2.3
203.17955	100.0
204.18449	2.5
221.11681	4.7
221.18996	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03958	3.7
54.95331	3.0
55.05514	22.8
57.07064	6.9
59.04980	2.9
65.03959	3.7
67.05508	23.6
69.07072	22.4
69.15609	6.6
69.16026	13.9
71.04999	27.6
71.08628	2.5
71.37028	2.6
79.05493	28.9
81.06580	5.2
81.07059	98.9
83.04979	4.2
83.08617	8.6
85.06564	5.7
89.29575	2.3
89.46744	2.6
91.05476	24.3
93.07043	57.8
95.04981	5.6
95.08605	59.7
97.06523	9.1
97.10148	4.9
99.08070	5.9
105.07034	64.3
107.07861	4.7
107.08590	90.3
109.06514	6.7
109.10159	49.6
111.08084	9.5
115.05475	4.8
117.07018	9.1
119.08581	76.9
120.09005	3.3
121.02856	5.7
121.06531	4.2
121.10162	25.8
123.08072	10.5
123.11714	25.9
125.09653	4.9
127.11184	6.6
129.06966	4.6
131.04953	2.7
131.08589	4.2
133.06485	4.8
133.10126	45.2
135.08076	5.0
135.11696	100.0
137.09637	5.9
137.13251	3.9
143.08574	4.3
145.06483	2.7
145.10139	9.8
147.11688	54.3
149.02350	52.3
149.13242	19.6
151.03928	6.9
159.11702	5.9
161.05940	5.7
161.09711	4.0
161.13277	23.5
162.06805	5.3
163.11223	4.7
163.14874	16.8
165.12732	4.0
175.07549	23.3
175.11234	7.1
175.14775	20.7
177.09125	74.8
177.16360	4.8
185.13213	4.3
189.09146	6.3
203.10716	5.9
203.14284	7.9
203.17969	55.2
206.11003	5.1
221.07985	4.3
221.11705	7.3
221.15518	22.7
221.19014	87.6
221.21967	24.9
222.19467	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.84867	1.2
51.47118	1.2
53.03932	1.1
53.47815	1.1
55.05508	12.3
57.07063	4.3
57.27682	1.0
59.04991	1.9
59.78446	1.0
62.44025	1.1
63.90408	1.1
67.05499	17.3
69.07069	11.5
69.58768	1.2
71.04993	19.2
79.05496	17.2
81.07060	48.4
83.04954	2.5
83.08610	7.0
85.06542	1.6
91.05456	13.3
91.38329	1.0
93.07047	42.1
95.04951	4.6
95.08605	31.8
96.08889	1.3
97.06522	3.2
97.10191	2.3
99.08076	3.6
105.07032	29.4
107.08595	64.9
108.08891	1.3
109.06506	4.9
109.10161	23.1
111.04450	1.5
111.08083	3.9
117.07012	2.5
119.06006	1.1
119.08580	40.9
121.10117	11.6
123.08027	3.5
123.11713	16.2
125.09590	1.5
127.11170	2.1
128.06259	1.7
131.08536	2.3
133.06496	1.9
133.10123	26.4
135.11693	100.0
136.12025	2.3
137.09592	5.1
137.13257	3.4
143.08542	1.3
145.10091	3.8
147.07967	1.8
147.11691	24.2
147.42943	1.1
149.13246	7.7
151.11160	8.5
153.09094	4.0
159.11749	2.8
160.12527	1.5
161.05966	1.9
161.09644	2.9
161.13242	14.1
163.11186	29.1
163.14830	7.3
165.06985	1.6
165.12769	4.1
175.07529	1.8
175.11183	1.1
175.14851	8.5
177.09137	8.9
177.16354	2.8
179.10637	1.5
179.14334	3.4
203.10632	3.3
203.14357	5.3
203.17953	36.0
204.18227	1.8
206.16295	1.7
221.05911	1.7
221.11371	1.3
221.13309	1.9
221.15535	14.1
221.18987	55.4
222.11261	1.7
222.19246	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	beta-Chamigrene-10-ol
Peak:m/z	Relative Intensity
53.03955	0.9
55.01862	1.2
55.05512	11.1
57.07055	2.8
57.42267	1.0
59.04713	1.9
59.05000	35.6
67.05505	9.5
69.07069	12.9
73.91470	0.8
79.05489	7.5
81.07053	50.7
83.08610	12.8
85.06535	2.3
85.10175	1.0
91.05486	6.1
93.07044	17.7
95.04963	1.7
95.08604	62.6
97.06520	1.7
97.10159	4.1
99.08094	1.7
105.07027	26.3
107.08595	25.9
109.06498	2.4
109.10151	33.8
111.08067	2.4
117.07017	1.0
119.08577	63.0
120.08854	1.0
121.10139	35.0
123.08067	1.4
123.11703	13.5
125.09622	16.1
133.10132	35.8
135.11670	4.1
135.16748	0.9
137.13255	2.0
139.11176	25.1
143.08528	1.8
147.04401	1.3
147.11678	37.0
148.11981	1.3
149.13260	5.1
151.11186	17.0
161.13251	36.8
162.13647	1.4
163.14819	28.5
165.07019	1.6
165.12723	2.3
171.08122	1.2
175.14822	40.1
176.15181	1.3
177.16391	8.3
178.07681	1.4
179.17905	2.2
189.09077	2.0
191.08530	1.7
193.10172	1.1
193.15668	1.0
196.01025	1.1
203.17944	98.5
204.18274	4.3
206.10886	3.2
209.03308	0.9
221.06143	1.3
221.09628	2.0
221.11647	2.6
221.13594	6.2
221.15414	2.8
221.18997	100.0
222.19354	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	beta-Chamigrene-10-ol
Peak:m/z	Relative Intensity
51.70711	1.1
55.05515	9.9
57.07067	3.0
58.61786	1.3
59.04712	2.0
59.05003	35.5
67.05501	9.7
69.07077	13.5
71.05019	1.4
74.59187	1.1
79.05486	5.9
81.07059	47.1
81.88283	1.4
83.08613	10.1
91.05468	6.6
93.07048	19.4
95.08607	63.9
96.08921	1.5
97.06498	1.7
97.10175	8.0
97.10678	1.4
100.15691	1.2
105.07034	26.3
107.08598	26.1
109.06490	1.7
109.10157	30.3
111.11726	3.1
115.05521	1.7
119.08579	55.9
121.10141	31.3
123.08109	1.5
123.11719	9.1
125.09615	13.3
133.10132	31.1
135.11662	3.6
137.09677	1.9
139.11185	20.9
143.08542	2.9
147.11687	35.1
149.13234	6.1
151.11200	13.7
161.09596	1.3
161.13251	31.3
163.14827	25.8
164.15160	1.5
165.09120	2.3
165.12761	1.5
171.08109	2.4
175.14830	38.0
177.16376	7.8
179.17923	3.0
180.25005	1.2
189.09157	2.5
203.10748	1.5
203.17952	100.0
204.18221	3.7
206.10974	3.5
221.11565	3.0
221.13286	3.8
221.15421	3.1
221.18999	99.1
222.19269	3.5
225.70103	1.2
228.81203	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03955	1.0
55.05512	6.7
57.07075	4.4
59.04989	4.2
59.82595	1.0
67.05511	11.1
69.07072	10.8
69.10992	7.4
70.35307	1.0
71.04993	14.6
71.06734	0.9
79.05491	11.7
81.07055	28.2
82.07397	1.3
83.08621	5.2
85.06551	5.0
85.69764	1.0
91.05466	7.5
93.07047	19.4
93.87414	1.0
94.07397	1.1
95.08609	47.8
96.08912	1.4
97.06531	1.7
97.10165	3.3
105.07034	36.3
107.08596	54.1
109.10158	25.4
109.10905	1.2
110.10500	1.0
111.08100	1.1
119.08581	24.2
121.10144	24.6
123.08106	1.2
123.11698	10.0
125.09663	2.5
131.08562	1.7
133.09212	1.8
133.10143	24.4
135.11717	9.6
137.09650	2.1
137.13251	4.0
139.71169	1.0
145.10071	1.2
147.11688	51.5
148.12009	1.8
149.13272	2.8
151.11209	2.0
151.14774	1.6
159.11679	1.7
161.13260	31.1
163.14824	35.5
164.15167	1.6
165.07086	1.3
165.12784	3.6
175.14812	8.6
177.16405	9.9
179.14342	1.1
203.17958	100.0
204.18317	3.1
206.10901	2.3
221.13263	3.0
221.15506	2.0
221.19014	55.1
222.19325	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05499	7.8
59.05000	18.3
67.05511	11.5
69.07072	10.6
69.32344	10.3
79.05501	7.8
81.07057	30.6
82.07385	1.5
83.08609	7.5
91.05468	12.8
93.07042	17.4
95.08612	49.8
97.10171	3.5
98.22618	2.9
105.07034	55.8
107.08588	22.6
109.10152	24.6
119.08580	60.6
121.10143	25.0
123.08065	1.8
123.11698	6.6
125.09633	6.3
131.08623	3.1
133.10129	36.3
135.11684	5.9
136.74217	1.9
139.11174	10.6
145.10094	1.7
147.11682	94.8
148.12010	2.9
149.13120	2.2
151.11136	9.0
159.11708	2.7
160.12633	2.1
161.13257	26.7
163.14833	13.6
175.14815	16.6
177.16371	4.3
203.17953	100.0
204.18269	3.7
221.18994	47.5
221.94823	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.00302	1.6
53.03928	2.1
55.01873	2.3
55.05513	12.0
61.88070	1.4
65.04001	1.6
67.05514	13.0
69.07066	19.1
69.19059	11.7
71.04993	41.9
73.06535	2.0
76.76347	1.5
79.05496	16.9
81.03391	4.0
81.07058	77.4
83.08607	5.7
85.06535	3.1
91.05489	18.4
93.07045	40.1
95.04940	2.0
95.08051	2.7
95.08607	38.6
97.06508	6.0
97.10119	2.2
98.15735	1.5
98.22683	2.2
99.08076	5.8
105.07030	43.7
107.04871	1.7
107.07854	2.6
107.08594	51.5
109.06487	4.3
109.10152	29.1
111.08037	3.5
111.11693	2.7
113.09654	2.1
117.07024	3.7
119.08579	59.9
120.08912	1.6
121.06493	11.2
121.10138	18.0
123.08058	3.0
123.11697	13.5
125.09570	2.6
127.11176	4.4
128.06177	2.0
129.07014	2.4
131.08580	2.8
133.10112	23.3
135.07994	2.7
135.11693	69.2
137.09584	2.7
137.13231	2.5
143.08527	5.0
145.10129	6.6
147.08034	3.6
147.11691	31.1
149.02379	3.3
149.13266	18.5
151.11234	2.4
157.10092	2.3
159.11719	1.9
161.05995	6.4
161.09676	2.3
161.13287	17.4
163.11191	4.6
163.14821	11.1
165.12729	3.2
175.11211	2.9
175.14761	12.2
177.09122	6.4
177.16426	2.2
185.13191	2.3
190.06058	3.2
191.09691	2.1
203.10751	2.4
203.14441	7.8
203.17955	49.4
221.11729	2.3
221.15681	14.8
221.19006	100.0
222.08742	2.2
222.19295	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	1.6
53.03928	2.1
55.01873	2.3
55.05513	12.0
61.88070	1.4
65.04001	1.6
67.05514	13.0
69.07066	19.1
69.19059	11.7
71.04993	41.9
73.06535	2.0
76.76347	1.5
79.05496	16.9
81.03391	4.0
81.07058	77.4
83.08607	5.7
85.06535	3.1
91.05489	18.4
93.07045	40.1
95.04940	2.0
95.08051	2.7
95.08607	38.6
97.06508	6.0
97.10119	2.2
98.15735	1.5
98.22683	2.2
99.08076	5.8
105.07030	43.7
107.04871	1.7
107.07854	2.6
107.08594	51.5
109.06487	4.3
109.10152	29.1
111.08037	3.5
111.11693	2.7
113.09654	2.1
117.07024	3.7
119.08579	59.9
120.08912	1.6
121.06493	11.2
121.10138	18.0
123.08058	3.0
123.11697	13.5
125.09570	2.6
127.11176	4.4
128.06177	2.0
129.07014	2.4
131.08580	2.8
133.10112	23.3
135.07994	2.7
135.11693	69.2
137.09584	2.7
137.13231	2.5
143.08527	5.0
145.10129	6.6
147.08034	3.6
147.11691	31.1
149.02379	3.3
149.13266	18.5
151.11234	2.4
157.10092	2.3
159.11719	1.9
161.05995	6.4
161.09676	2.3
161.13287	17.4
163.11191	4.6
163.14821	11.1
165.12729	3.2
175.11211	2.9
175.14761	12.2
177.09122	6.4
177.16426	2.2
185.13191	2.3
190.06058	3.2
191.09691	2.1
203.10751	2.4
203.14441	7.8
203.17955	49.4
221.11729	2.3
221.15681	14.8
221.19006	100.0
222.08742	2.2
222.19295	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.02391	1.2
53.03939	4.1
54.51590	1.1
55.01861	1.3
55.05511	14.1
57.03452	1.6
57.07074	4.4
59.05021	1.5
59.12319	1.2
65.03933	1.3
67.05163	2.3
67.05501	20.8
69.03426	1.9
69.07069	16.5
71.04999	16.6
71.08642	1.3
71.98635	1.0
73.81290	1.1
79.05494	21.6
81.07061	85.7
83.04971	2.6
83.08627	9.3
85.06555	3.2
91.05461	17.6
93.05808	1.4
93.06458	2.7
93.07047	47.0
95.04967	2.8
95.08611	46.4
97.06532	10.6
97.10171	5.3
99.08105	4.6
103.05476	2.6
105.07031	41.3
106.07346	1.4
107.08598	70.0
109.06507	3.4
109.09436	2.6
109.10159	34.0
110.10512	1.1
111.08074	4.9
111.11726	2.7
115.05392	2.0
117.07008	6.3
119.08582	46.8
120.08923	1.2
121.06479	2.0
121.10146	16.1
123.08070	4.6
123.11713	20.4
125.09612	3.3
127.11197	3.6
128.06216	2.1
129.07005	2.0
131.04956	3.0
131.08580	2.2
133.06477	2.9
133.09377	1.3
133.10135	33.6
134.10483	1.6
135.11694	100.0
136.12006	1.7
137.05965	1.8
137.09630	3.9
137.13272	5.1
139.11191	4.5
143.08594	2.0
145.06429	1.8
145.10133	3.0
147.08067	3.7
147.11694	35.2
149.13255	11.3
151.03871	1.5
151.11214	6.2
159.11674	2.6
160.12521	1.3
161.06020	1.9
161.09624	3.4
161.13261	17.4
162.06828	1.7
163.11195	2.3
163.14812	14.6
165.07018	5.1
165.09245	1.7
165.12761	3.9
175.07578	16.6
175.11200	3.9
175.14815	11.4
177.09123	19.3
177.16339	2.3
178.07811	2.2
178.09358	1.6
193.10109	2.1
203.10605	6.7
203.14374	3.7
203.17961	49.4
204.18317	2.4
206.16248	2.6
221.05994	5.0
221.09575	4.3
221.11656	3.7
221.15710	9.0
221.19012	67.9
222.06749	1.6
222.11276	7.0
222.19110	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.4
62.50492	0.3
67.05494	0.9
70.15463	0.9
77.03928	0.4
79.05502	0.4
91.05487	0.9
93.07044	0.9
93.92084	0.3
95.08627	0.5
98.22660	0.4
103.05466	0.9
104.04961	0.4
105.07024	0.9
106.06576	0.4
107.08604	0.7
109.06578	0.3
115.05471	0.5
117.07000	0.7
117.08474	0.3
118.06535	0.9
118.07327	0.5
119.08582	0.7
120.08107	12.8
121.06500	0.8
121.10128	0.4
123.08080	0.4
124.74685	0.3
126.03191	0.3
130.06525	100.0
131.06860	2.6
132.04448	18.1
137.09584	0.6
139.03940	0.4
146.05969	0.6
147.11690	0.5
148.07567	30.9
148.12047	0.9
149.07927	0.8
151.03903	1.6
158.06007	30.4
159.06311	0.8
162.05334	0.5
162.06493	0.5
163.03906	0.7
163.07051	0.5
176.07062	76.3
177.07404	2.3
177.09103	2.1
178.09436	9.2
204.06615	1.5
204.18192	0.5
222.07616	4.5
222.11278	0.5
222.14883	2.0
223.07756	0.4
223.09540	1.5
223.13091	0.4
225.04218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0761
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
55.01868	0.4
55.67052	0.3
69.34942	1.3
69.35345	0.5
71.67619	0.3
81.55172	0.3
84.99402	0.3
91.05460	0.3
93.07072	0.4
103.05487	0.7
104.04984	0.6
105.07055	0.4
107.08591	0.6
115.05445	0.5
118.06600	0.6
118.07346	0.5
119.07240	0.3
120.08105	12.2
121.08472	0.4
130.06525	100.0
131.06860	2.7
132.03423	0.5
132.04451	17.1
148.07568	28.9
149.02399	0.4
149.07909	0.7
158.06009	30.6
159.06317	0.9
161.82578	0.4
162.06358	0.4
163.07147	0.6
176.07063	78.3
177.07414	2.1
177.09109	1.8
178.09451	10.0
204.06555	1.7
222.07629	4.4
222.14851	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97002	0.3
55.05517	4.3
64.24258	0.3
67.05506	0.5
69.03409	0.3
71.29806	0.4
79.05522	0.5
81.07040	0.5
83.04959	0.4
83.08620	7.2
85.02890	0.5
87.31151	0.3
91.05497	1.4
91.65056	0.3
93.07041	0.5
101.09648	0.9
103.05486	1.1
105.00132	0.4
105.07034	0.9
106.06564	0.4
106.07344	0.4
107.04987	0.4
111.22032	0.4
115.05534	0.7
118.06565	0.8
119.08597	0.5
120.08115	12.7
121.06480	0.9
123.08010	0.5
130.06535	100.0
131.06914	2.1
132.04457	16.8
133.74100	0.4
135.08064	0.5
146.05969	0.5
148.07578	29.0
149.07881	0.7
158.06021	31.6
159.06404	1.1
159.11786	0.4
162.06403	0.7
176.07076	89.0
177.07433	2.5
178.09465	1.8
204.06564	1.0
205.08916	1.0
205.12340	0.4
222.04156	0.4
222.07651	5.0
222.11348	1.2
222.14995	0.9
223.13277	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.9881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50386	3.4
58.87744	3.4
70.09694	4.2
71.26885	6.8
94.93043	5.3
101.02085	4.2
102.22808	3.6
104.10757	15.7
105.11105	11.4
108.71376	3.7
202.68059	4.1
204.97606	5.2
222.98819	100.0
223.02263	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69439	0.2
51.79393	0.2
57.07062	0.2
67.05472	0.2
69.03432	0.2
69.07087	0.2
71.30417	0.2
79.02198	0.2
79.05518	0.3
81.03421	0.2
81.07033	0.3
85.02884	0.3
89.03934	0.2
93.07037	0.2
95.04973	0.2
100.63961	0.2
106.06541	0.7
107.04957	0.3
116.04981	0.7
118.06491	0.2
121.40531	0.1
122.06030	0.2
134.06017	2.1
144.04454	4.1
144.05571	0.3
146.05978	1.0
148.03902	0.5
149.02315	1.1
150.33742	0.2
156.97429	0.3
157.97610	0.4
158.97202	0.3
160.03957	0.2
162.05499	100.0
163.05861	2.4
174.05528	1.0
175.98630	0.5
176.03348	0.2
177.06633	0.3
178.05008	0.5
178.08713	0.2
191.08127	1.2
206.08141	0.6
217.99638	0.5
223.10847	2.5
223.16925	0.2
225.04286	1.4
227.02252	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	Dehydrovomifoliol
Peak:m/z	Relative Intensity
51.85299	1.5
53.03938	3.7
53.09322	1.6
55.01867	5.6
55.05512	24.2
57.03437	3.7
57.07073	2.6
59.05010	1.6
65.03931	2.0
67.05505	19.1
69.03434	14.9
69.07068	9.4
70.71842	4.6
71.04990	15.4
79.05496	17.7
81.03415	3.7
81.07056	20.8
81.62428	1.8
83.04982	56.6
84.04499	13.5
85.02913	11.0
91.05477	18.9
93.07045	29.5
94.06564	11.2
95.04976	14.8
95.08605	36.0
97.02870	4.4
97.06528	28.6
99.04443	5.6
99.08099	9.3
101.02360	2.1
103.05465	3.3
105.07029	26.7
106.90838	1.6
107.04955	5.4
107.08595	34.3
109.02847	3.0
109.06519	18.6
109.10141	11.3
111.04423	3.1
111.08056	4.0
113.06018	2.1
114.87733	2.2
115.05479	2.9
117.07023	13.9
119.08574	34.5
121.02905	2.2
121.06503	19.4
121.10141	37.0
122.07268	3.8
122.41367	1.7
123.04355	2.7
123.08054	37.5
125.05995	11.0
125.06795	2.0
125.09645	5.8
129.05453	4.6
129.07025	4.0
130.04997	2.9
130.07771	3.6
131.04819	2.1
131.06860	5.8
131.08575	12.4
133.06470	3.2
133.10156	9.6
135.04422	2.5
135.08046	44.7
135.11688	15.6
136.03931	2.0
137.05994	4.3
137.09584	10.0
139.07550	3.1
143.07036	5.5
144.09335	7.0
145.06480	2.7
145.10114	21.3
146.02324	2.7
147.08025	6.0
148.08836	2.5
149.02365	13.6
149.06001	2.7
149.09636	7.0
149.13248	8.6
153.09120	3.7
159.06377	4.4
159.08017	2.6
159.11691	43.9
161.09645	5.2
163.07584	4.5
163.11191	36.8
165.09142	17.3
167.07005	2.8
175.11198	8.2
177.07451	6.9
177.09178	4.7
177.12744	35.4
178.04951	2.5
179.10686	6.8
181.08575	6.2
181.12230	9.4
187.11183	5.6
193.12256	2.5
205.12190	23.3
206.04478	2.1
206.08147	2.2
223.05908	4.0
223.09674	4.6
223.13284	100.0
224.13498	2.9
225.04306	13.2
227.02217	3.6
229.36581	2.5
239.31618	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	Annuionone B
Peak:m/z	Relative Intensity
51.67679	0.9
53.01410	1.0
55.01859	1.2
55.05492	2.6
57.03424	4.3
61.36681	0.9
66.64790	0.8
67.05490	3.0
69.03419	1.8
69.07037	1.6
71.04997	6.6
79.05509	6.4
81.07058	18.3
83.04948	1.7
83.36253	1.1
91.04996	1.1
91.05476	8.3
93.07044	22.0
95.04953	2.8
95.08612	22.9
97.06501	2.9
98.23390	1.8
99.04459	11.7
101.05977	1.2
105.07029	20.8
107.04923	1.3
107.08593	24.7
109.06522	4.7
109.10159	2.9
110.72444	0.9
111.08075	3.1
117.07030	6.1
119.08585	18.4
120.08109	2.1
121.06501	3.5
121.10149	47.5
123.08070	100.0
123.11706	1.3
124.08369	1.9
125.05973	1.8
125.09615	4.9
129.07001	2.2
130.07809	5.6
131.08545	3.1
133.07600	1.6
133.10118	7.8
135.08051	3.7
135.11702	25.6
137.09575	5.0
139.11221	3.0
143.08531	2.7
144.09300	2.5
145.10123	39.8
147.08067	4.6
147.11674	2.1
149.09560	1.4
149.13268	1.3
151.11153	1.1
153.09117	6.8
159.11691	14.9
161.09615	3.1
161.13190	1.5
162.10397	1.1
163.11182	36.8
165.08131	0.8
165.09131	8.9
175.11200	3.6
177.12744	6.7
181.12230	17.2
187.11165	3.9
193.12238	2.3
205.12230	14.2
223.13284	65.2
224.13638	2.8
225.04236	1.7
229.09337	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11963	0.1
52.50346	0.1
53.03963	0.1
55.01865	0.1
55.05513	0.9
57.07062	0.2
63.59657	0.1
64.02360	0.1
65.03941	0.1
67.05512	0.6
69.06721	0.2
69.07070	1.8
69.86546	0.5
71.10534	0.1
79.05504	0.8
81.07056	1.8
82.06860	0.1
91.05478	0.9
91.61233	0.1
93.07026	0.3
95.04931	0.1
95.08600	0.3
103.05464	0.1
105.07021	0.6
109.06547	0.1
115.05441	1.0
117.07020	4.1
119.08582	0.6
121.83012	0.1
128.06194	0.7
129.06989	1.2
131.08563	1.1
141.06992	2.3
142.07790	0.1
143.08565	1.0
144.05731	0.1
144.09367	0.2
145.10132	0.2
152.06198	1.8
153.06985	3.6
154.07784	0.7
155.08557	5.4
156.08961	0.2
157.10110	0.3
165.06999	11.7
166.07788	7.6
167.08563	13.9
168.09343	1.8
169.10135	2.4
176.06252	0.2
177.06946	0.3
178.07750	3.3
179.08556	16.1
180.09338	7.6
181.06880	1.0
181.10117	48.6
182.10730	2.4
183.11584	0.4
189.06955	0.4
190.07745	1.1
191.08563	0.5
192.09335	0.8
193.10127	30.3
194.07329	1.1
194.10899	10.0
195.08073	1.2
195.11690	13.7
196.12021	0.7
203.08597	0.2
205.10132	1.2
206.10863	0.8
207.08167	0.5
207.11707	2.4
208.08960	4.7
208.12468	23.2
209.09557	0.6
209.13115	1.8
221.13239	0.6
222.13747	0.3
223.11488	14.7
223.14803	100.0
224.11861	0.8
224.15198	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1692
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03938	1.6
55.01863	4.0
55.05273	1.0
55.05510	13.0
55.72939	0.8
57.07069	10.6
58.69504	0.8
59.04982	1.8
65.03917	1.5
67.05501	18.0
68.77461	0.8
69.07066	46.1
69.29958	5.8
71.04977	1.2
71.08626	6.1
73.06554	5.2
79.05486	13.6
81.07056	22.5
83.04965	3.9
83.08618	9.6
85.06541	3.3
91.05480	10.0
93.07040	43.8
95.04974	0.9
95.08604	39.6
97.06528	17.5
97.10152	1.9
101.06025	5.5
105.07028	20.5
107.08593	100.0
107.98949	0.8
108.08909	2.2
109.06520	2.2
109.10156	43.4
110.10433	0.9
111.08068	2.2
111.54654	0.8
115.07563	11.1
117.07021	1.9
119.08578	22.6
121.06510	2.5
121.10139	64.9
123.08061	4.4
123.11703	11.3
125.09677	1.1
127.07528	1.6
129.09096	1.5
131.08559	6.5
133.07613	1.2
133.10133	8.1
135.08057	12.9
135.11684	13.9
136.12135	0.9
137.09596	2.6
137.13254	2.4
141.09091	1.2
145.10101	9.6
147.11678	5.7
149.02351	1.8
149.09616	23.6
149.13251	1.9
153.09093	9.5
159.11732	4.4
161.13258	39.5
162.13564	1.3
163.11180	12.9
163.14815	35.4
167.10686	27.1
177.12709	3.0
177.16362	6.8
179.14166	1.3
181.12221	7.1
181.15913	2.7
187.14847	10.8
205.15874	40.7
206.16135	1.0
223.15071	1.4
223.16916	39.2
223.19122	1.9
226.01944	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1692
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03945	4.1
55.01869	3.5
55.05515	12.6
57.07080	2.0
58.37188	1.9
59.04998	2.0
65.03933	1.9
67.05489	17.8
69.03446	1.8
69.07078	11.6
71.04992	16.4
79.05495	21.0
81.07056	87.7
82.07409	2.1
83.04980	2.8
83.08619	7.6
85.06548	19.8
91.05471	13.6
93.07054	22.3
95.04966	6.9
95.08610	100.0
97.06533	3.9
99.08088	2.7
105.07032	40.0
106.71571	1.9
107.08598	26.0
109.06540	9.6
109.10164	8.5
111.08085	11.4
113.06039	2.4
113.09644	60.0
119.08581	28.2
121.06523	2.3
121.10153	9.9
123.08060	4.6
123.11735	2.6
125.09647	4.5
127.07555	2.4
129.09137	3.0
131.08536	13.1
133.10115	3.4
135.08110	2.9
135.11708	5.8
137.09612	6.4
141.09097	4.6
143.08492	2.2
145.10123	25.6
147.11703	39.5
147.12878	2.1
148.11989	2.7
149.02396	4.4
149.09660	2.7
149.13292	2.6
153.05476	2.7
153.12714	2.0
159.10309	3.5
159.11734	4.7
161.13246	5.4
163.11211	4.9
163.14856	7.5
165.12744	10.3
177.12782	2.5
177.16443	2.3
179.08551	1.9
181.10150	3.4
187.14838	11.5
193.10149	3.4
194.54843	1.9
195.11844	2.4
205.15898	8.9
208.08797	2.2
208.12376	2.2
214.11668	1.9
223.07634	3.4
223.11287	10.0
223.13100	4.2
223.14870	4.6
223.16676	10.1
228.89359	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01882	2.6
55.05505	6.3
56.25506	1.2
56.62571	1.2
57.07083	1.7
59.05033	1.3
67.05513	9.5
69.07075	4.5
69.27849	5.0
69.28275	4.9
71.05002	7.3
79.05490	10.7
81.07055	48.3
81.07525	2.6
83.08636	3.7
84.04406	1.2
85.06532	10.4
91.05482	6.5
93.07040	12.8
95.04985	5.1
95.08603	58.5
97.06517	1.6
99.20855	1.2
100.85438	1.3
105.07032	19.8
107.08591	13.5
109.06532	4.5
109.10192	4.2
111.08087	5.8
113.09645	37.6
117.07028	2.6
119.08578	15.3
121.06532	2.3
121.10176	5.6
123.08098	2.0
123.11754	1.9
125.09654	3.1
129.07001	2.0
131.08578	8.3
133.10100	1.6
135.08066	1.7
135.11710	3.6
137.09607	3.5
141.06992	2.6
141.09128	3.9
145.10118	10.3
147.11693	21.8
148.12045	1.4
149.02385	3.8
152.06227	2.6
153.07025	5.5
155.08571	5.5
159.11760	3.7
161.13222	3.3
163.11281	1.6
163.14853	4.7
165.05659	1.3
165.06995	39.6
165.12686	6.7
166.07794	10.7
167.08534	12.2
169.10106	3.2
177.06998	1.5
178.07755	6.4
179.08565	22.2
180.09337	33.2
181.06477	6.1
181.10117	27.4
182.07178	1.5
182.10713	2.4
187.14871	4.7
189.07054	1.6
190.07790	3.2
192.09436	1.3
193.10130	34.7
194.07272	4.2
194.10864	11.5
195.08063	6.3
195.11694	24.0
196.12183	1.6
203.42140	1.3
205.10190	5.4
205.15967	3.3
207.08104	3.5
207.11729	4.2
208.08815	26.7
208.12437	28.4
209.09520	4.5
209.13051	3.0
222.10072	1.5
223.07608	5.0
223.11214	100.0
223.14853	89.4
223.16808	4.5
224.08337	4.0
224.11693	10.8
224.15311	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2056
Annotation	(2Z,6E)-Farnesol
Peak:m/z	Relative Intensity
53.03932	2.9
55.05513	38.6
57.03437	1.9
57.07076	18.4
65.03919	1.8
67.05502	40.7
69.03424	2.6
69.07065	49.9
70.07363	1.5
71.04980	7.2
71.08635	7.6
71.30436	3.5
71.30791	1.8
79.05491	22.5
81.07056	91.3
82.89117	1.6
83.04942	1.8
83.08152	1.8
83.08620	29.2
85.06530	10.0
85.10176	6.3
91.05471	11.5
93.06467	3.3
93.07040	54.8
95.04955	4.7
95.08604	100.0
96.08913	2.3
97.06528	21.9
97.10153	18.0
99.08070	12.1
105.07017	6.4
107.08586	66.4
108.08987	1.5
109.06465	2.8
109.10152	87.9
110.10535	1.9
111.08080	6.5
111.11711	5.6
113.09621	8.6
119.08578	3.6
121.10139	44.1
123.11703	53.3
125.09630	21.9
127.11190	3.8
131.08530	2.7
135.08041	2.1
135.11693	32.8
137.09683	1.7
137.13254	12.3
139.11195	9.0
141.12752	2.3
145.10118	2.6
147.11739	3.1
149.02296	2.1
149.09612	3.0
149.12144	2.6
149.13254	34.3
151.14856	4.4
153.12714	7.3
163.11192	2.2
163.14801	15.6
165.07011	1.8
165.16383	2.7
167.10596	2.0
167.14330	4.4
176.64240	1.6
177.16382	6.0
179.08549	2.0
179.17940	24.0
180.09283	1.8
181.10136	1.9
193.10031	1.7
205.15927	3.7
205.19510	23.7
223.11229	3.6
223.14838	5.2
223.16914	6.4
223.20554	60.0
224.20993	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	21.4
57.03443	27.9
70.11362	52.7
70.11755	44.7
77.66341	18.7
81.83660	19.8
95.14802	21.0
101.02342	35.4
115.03957	62.4
120.20422	21.9
129.01851	100.0
132.22427	20.8
143.03435	44.4
157.01285	38.8
161.04385	41.9
171.82330	19.9
177.00970	25.5
189.03928	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0757
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
50.89345	0.9
53.03945	1.2
55.01867	1.3
55.05511	2.1
59.62830	0.9
65.03945	4.7
67.05502	2.9
67.12398	1.0
69.03406	2.3
69.07053	0.9
69.38757	6.1
71.04993	3.4
77.03943	2.6
79.05503	2.3
81.07064	4.4
81.43356	0.9
83.04984	4.1
85.02944	1.4
89.03907	2.7
90.06324	1.1
91.05482	72.6
93.07047	2.7
95.04965	11.1
95.08617	2.9
97.06529	2.3
99.04442	5.2
103.05458	5.6
105.03410	1.8
105.04529	1.2
105.07047	2.9
107.05002	2.3
107.08588	5.0
108.05699	1.3
109.06502	3.4
118.04156	7.6
119.04945	69.7
119.08582	3.7
120.05283	1.2
121.06519	3.2
121.10147	4.0
123.04441	5.0
123.08073	5.3
123.11679	1.1
125.05944	1.2
125.09637	2.6
129.03374	1.4
131.04942	1.8
132.02068	5.9
133.02859	2.7
134.06020	1.9
135.04419	3.0
135.08069	2.8
136.05203	3.6
137.05962	1.8
137.09691	1.5
144.69087	1.1
145.02817	1.2
146.03632	2.8
147.04407	53.3
147.08008	2.3
149.02307	9.9
149.06013	1.2
149.09631	3.3
151.07568	1.5
153.05547	1.0
157.03960	4.9
161.13216	1.2
162.05457	6.2
163.03880	2.5
163.11209	2.1
164.04736	7.6
164.07149	1.7
165.05318	1.0
167.10707	2.7
174.03113	2.7
175.03905	82.7
176.04314	2.1
177.01869	4.8
179.06992	6.5
179.14362	1.3
180.04179	1.5
180.06500	1.3
183.06528	2.5
183.13811	2.2
189.12808	1.7
190.05125	1.5
192.04170	28.8
193.04959	5.3
204.94740	1.1
207.06499	100.0
207.13858	3.8
208.05843	4.6
225.05594	1.1
225.07526	2.4
225.14758	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0759
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
51.02390	1.6
53.03943	2.9
54.14505	1.5
54.29773	1.2
55.01860	2.4
55.05510	1.7
65.03938	5.8
67.05498	2.9
69.03394	1.8
69.34653	8.8
71.04991	2.4
77.03942	2.3
79.05480	3.8
81.07054	3.3
83.18411	1.3
89.03925	2.7
89.14632	1.3
91.05480	83.4
95.04956	10.3
95.08585	2.2
98.23412	2.1
99.04482	7.6
99.05009	1.4
103.05478	8.1
104.80663	1.4
105.03382	3.4
105.07016	3.2
106.06593	2.7
107.04965	4.5
107.08583	3.1
109.06522	2.9
111.00597	1.6
115.05461	1.3
117.03410	1.3
118.04176	7.8
119.04941	76.8
119.08594	1.6
121.02872	4.0
121.06497	3.7
121.10124	2.4
122.03629	1.6
123.04415	10.7
123.08101	2.3
129.03360	2.3
131.04884	2.9
132.02057	4.6
133.02838	1.9
133.10123	2.3
134.06023	8.9
135.04405	3.8
136.05205	1.7
137.05998	3.5
141.06960	2.3
145.02818	2.7
147.04411	62.9
147.07944	2.1
148.03856	3.1
149.02293	12.1
149.09631	1.7
150.03075	1.8
151.07605	2.7
157.03943	7.1
162.05502	27.8
163.03893	4.8
164.04692	6.8
164.07059	9.8
165.05435	2.1
167.10640	1.3
169.06412	1.7
174.03084	2.8
175.03902	100.0
176.04295	2.6
177.01854	5.2
179.06883	7.3
180.04138	3.3
180.06519	10.1
183.06514	3.2
190.05022	14.6
192.04161	34.0
193.04941	10.1
195.06557	2.6
197.05997	10.1
207.06354	100.0
208.06003	34.4
224.11414	1.5
225.05399	4.2
225.07306	18.8
225.09039	1.8
225.14857	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1121
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
53.03939	6.2
55.01874	6.6
55.05280	3.2
55.05505	22.2
56.99670	3.2
57.03436	7.0
67.05502	35.6
69.03429	28.3
69.07064	9.2
70.84813	7.1
71.04991	41.8
79.05496	26.5
81.03418	9.0
81.07059	93.8
83.04980	31.2
83.08619	5.1
85.02907	12.7
85.06571	2.9
91.05478	58.7
91.06012	4.8
93.07045	37.1
95.04970	22.8
95.08614	25.7
97.02889	7.4
97.06546	5.2
99.04456	96.2
99.08133	5.5
103.05470	3.5
105.07034	61.7
107.04968	18.0
107.08593	51.0
109.06511	96.6
109.10149	25.3
111.04471	24.2
111.08068	5.6
113.02360	5.4
113.06044	4.5
113.09646	5.2
115.05452	5.2
117.07003	7.8
119.04932	7.0
119.08581	100.0
121.06511	13.3
121.10152	15.8
123.04483	3.7
123.08062	50.6
123.11703	15.0
125.05981	5.9
125.09644	7.4
129.07036	4.3
131.08595	7.3
133.06522	7.4
133.10129	46.2
135.08041	9.8
135.11751	4.0
136.05208	4.2
137.05994	17.3
137.09622	43.4
139.11160	3.6
141.06992	3.3
143.08582	9.7
145.10101	7.7
146.07240	5.4
147.08078	18.1
147.11719	7.6
149.09604	15.1
151.07573	17.0
151.11188	19.0
153.09044	3.3
161.09631	51.3
161.13313	4.3
163.07597	5.8
163.11185	11.6
165.05547	4.2
165.09132	32.3
165.12756	16.8
167.07072	4.9
167.10675	18.9
169.10225	4.4
171.05888	3.6
179.10684	54.7
179.14214	3.2
183.11633	4.1
183.13823	22.9
189.09087	17.2
189.12700	5.1
193.05042	10.8
197.06010	4.7
197.13245	4.0
207.10185	39.7
207.13782	16.1
210.10544	3.2
225.05301	2.9
225.09181	8.4
225.12810	7.3
225.14870	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1119
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
55.05518	17.0
57.03425	9.6
59.05000	49.3
59.50490	3.0
67.05505	17.7
69.03425	43.2
69.07072	12.9
70.82312	3.6
70.82643	5.9
71.04646	3.6
71.05002	21.8
72.08157	10.1
76.41849	3.1
78.38486	2.8
79.05489	18.7
79.05919	3.1
81.03409	4.4
81.07057	45.4
83.04984	28.6
83.06706	4.1
83.08628	5.2
85.02890	10.4
85.06565	7.3
85.65887	2.8
91.05486	33.5
93.07047	43.3
95.04977	13.4
95.08600	32.5
97.02904	10.9
97.06532	13.0
99.04466	20.9
105.07030	69.7
105.07673	5.7
107.04935	5.9
107.08606	36.2
109.06503	18.3
109.10160	17.6
111.04476	6.2
111.08095	6.5
113.06068	3.9
119.04945	6.7
119.08578	18.2
121.06544	6.0
121.10139	71.0
123.04339	3.7
123.08093	31.1
123.11742	10.9
125.05950	5.7
125.09647	9.5
127.07540	10.6
128.06213	4.9
131.08598	5.0
133.06525	8.5
133.10136	57.8
135.11743	5.8
137.05991	13.1
137.09647	13.0
139.11182	100.0
140.11382	3.0
142.07751	4.2
143.08569	7.3
145.10104	3.6
147.08054	6.1
147.11694	11.2
149.09598	16.3
151.07545	12.4
151.11221	10.8
155.08582	4.3
161.09637	41.4
161.13297	11.2
163.11201	10.3
165.06929	3.4
165.09117	7.0
165.12787	11.8
167.07066	7.9
167.10666	25.4
169.08641	40.1
169.10110	6.4
176.91251	3.7
179.10645	9.7
179.14296	7.3
183.08028	7.0
189.09135	8.6
189.12720	16.6
207.06549	6.4
207.13806	35.8
225.09235	6.6
225.11072	4.8
225.12886	4.7
225.14781	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1121
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
53.03947	7.2
55.01870	7.0
55.05513	18.2
57.03431	10.3
65.03924	5.1
65.75472	2.3
67.05503	21.1
69.03428	37.0
69.07069	8.2
69.77785	7.5
69.78191	4.5
69.94971	2.2
71.04998	21.9
72.97762	2.1
74.52155	2.2
77.03923	2.8
79.05486	27.3
81.03418	20.2
81.07053	51.1
82.05852	2.8
83.04974	27.0
85.02903	43.4
85.03377	4.2
85.06557	5.4
91.05477	45.1
92.61909	2.4
93.07043	42.1
93.33912	2.7
95.04962	15.3
95.08622	22.0
97.02895	25.7
97.06540	6.5
97.10209	3.1
99.04445	23.7
105.07027	100.0
105.35272	2.9
107.04962	9.4
107.08588	45.6
109.06502	21.4
109.10155	14.3
111.04453	8.0
111.08096	6.6
113.02363	3.2
113.06014	4.4
117.06969	2.8
119.04935	7.9
119.08572	21.7
121.06539	6.9
121.09391	2.7
121.10108	14.1
123.04472	4.1
123.08060	20.7
123.11685	6.0
125.05973	3.1
125.09638	11.8
126.36926	3.0
128.06215	9.9
130.07779	2.8
131.08591	3.5
133.06514	11.9
133.10127	90.5
135.08061	3.7
135.11696	5.2
137.05969	16.9
137.09625	14.1
139.03908	2.9
141.09126	7.6
143.08586	15.4
145.10139	8.6
146.07243	6.7
147.08000	4.9
147.11684	6.5
149.09634	6.2
151.07564	10.0
151.11176	13.6
157.04938	2.8
161.09619	66.2
161.13274	9.0
163.11198	22.0
165.12784	6.0
167.10641	4.0
169.06548	2.5
169.08624	2.7
171.11699	4.3
179.07043	5.6
179.10686	18.3
179.14301	4.7
189.09131	11.3
189.12776	5.1
207.13811	22.6
225.07515	7.7
225.09369	3.5
225.12825	4.9
225.14853	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15216	1.9
50.75370	1.8
53.03941	3.2
55.01868	2.2
55.05509	8.4
57.03443	2.0
59.34907	2.0
67.05513	13.7
68.99785	5.3
69.03419	7.8
69.07069	4.0
70.15715	1.8
70.67503	5.6
71.04984	8.3
79.05495	15.4
81.07061	29.3
83.04975	4.0
83.66666	1.8
83.74123	2.5
90.99368	2.0
91.05478	28.3
93.07051	41.9
95.04969	9.7
95.08620	13.1
97.06549	3.8
99.04453	10.0
100.40830	2.2
103.05486	3.3
105.07035	100.0
106.07348	2.2
107.08595	25.1
109.06522	8.5
109.10168	17.5
111.04422	2.9
117.06995	3.3
119.04960	5.4
119.08590	8.9
120.69202	2.1
121.06522	11.6
121.10168	2.0
123.08103	9.3
123.11699	4.7
125.05981	4.5
128.06256	2.4
131.08560	5.0
133.06497	7.1
133.10135	78.1
135.11697	4.8
137.06004	15.1
137.09639	29.4
141.06989	2.8
143.08586	6.1
145.10141	10.7
146.07256	2.4
147.08034	2.6
147.11716	3.0
151.07541	8.6
151.11191	10.4
151.12283	2.3
161.09622	47.8
163.11200	62.6
165.09137	17.3
167.07039	8.2
171.00613	2.1
179.10684	70.7
180.11090	3.8
189.09145	12.1
197.13391	2.6
207.10214	8.4
225.05630	2.0
225.09085	12.0
225.11107	4.6
225.12961	3.6
225.14583	2.5
225.16527	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.3
55.01871	3.4
55.05506	10.4
57.07056	4.3
61.72627	2.9
62.49017	3.0
65.03950	4.0
67.05495	10.8
69.03426	12.6
69.07074	7.3
71.04989	24.9
71.14345	4.0
79.05503	18.8
81.07066	58.1
83.08629	5.1
85.02905	5.3
85.06557	4.9
91.05475	32.5
93.07047	43.9
95.04960	6.8
95.08611	16.2
97.02889	20.3
97.06528	5.2
99.04458	57.9
105.04585	3.8
105.07028	76.5
107.05013	3.5
107.08605	40.3
109.06532	18.4
109.10190	5.9
111.08093	18.4
115.05416	4.2
119.04945	7.1
119.08580	22.5
121.06522	9.4
121.10148	9.7
123.08102	16.0
123.11687	11.8
125.05990	6.9
125.09610	4.3
128.06241	4.9
131.08609	6.4
133.06479	10.0
133.10138	100.0
135.11697	7.0
137.05962	15.9
141.06969	5.8
143.08556	9.2
145.10152	5.5
146.07278	8.3
147.08072	6.8
147.11671	6.9
149.09621	5.5
151.07576	15.4
151.11192	8.0
161.09631	75.5
161.10893	6.1
161.13304	3.1
163.11186	8.1
165.12785	6.6
167.07014	8.1
167.10710	11.0
169.06529	3.9
179.08461	4.4
179.09090	2.9
179.10677	29.1
181.12105	3.4
183.13806	8.6
189.09093	26.5
197.05988	4.9
207.13715	6.9
210.06813	3.4
213.71820	3.3
225.05446	5.1
225.09120	9.6
225.11096	6.6
225.14680	6.1
225.16637	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1121
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
50.42848	5.8
53.03946	8.4
55.05513	30.0
57.03441	9.2
57.07059	6.8
65.03951	6.7
67.05508	55.1
69.02519	51.5
69.02935	9.4
69.03418	18.2
69.07063	21.8
71.05001	19.4
78.89989	5.9
79.05489	40.2
81.03393	5.8
81.07058	100.0
83.04980	13.2
83.08615	17.2
85.02902	8.6
85.06535	12.3
91.05477	68.2
93.07048	62.5
95.04954	26.1
95.08604	42.6
97.06545	11.0
98.21777	5.6
99.04439	14.8
101.05994	6.9
105.07044	82.4
107.04958	17.5
107.08584	29.2
109.06520	93.1
109.10141	52.6
111.04469	25.7
111.08099	6.0
111.14378	7.1
117.07006	12.6
119.08569	99.4
121.06541	13.1
121.10125	17.3
123.04407	8.9
123.08073	21.8
123.11766	9.7
123.79330	5.5
127.09006	5.9
129.07045	10.4
131.08578	10.8
133.06499	17.4
133.10129	60.4
137.05998	22.0
137.09613	74.7
139.11188	11.2
141.07005	9.4
143.08626	14.1
145.10060	9.1
147.08055	20.1
147.11690	13.8
151.07515	17.7
151.11235	29.4
153.05409	7.4
155.08589	18.1
161.09608	68.6
161.13107	8.6
163.11185	8.8
165.07080	7.7
165.09131	44.5
166.95764	6.2
167.07140	7.8
167.08485	8.5
169.10130	22.7
176.64964	6.0
179.08586	6.9
179.09140	10.3
179.10669	83.1
183.11671	16.8
189.09084	26.7
189.12956	6.4
192.09383	8.4
193.12265	7.2
197.09708	6.1
197.13362	8.4
207.10114	70.3
207.11601	7.4
207.13664	9.1
210.10336	14.2
225.09111	27.7
225.11110	14.9
225.12947	38.7
225.14612	9.1
225.16489	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1274
Annotation	Navenone B
Peak:m/z	Relative Intensity
58.77769	0.5
66.17735	0.5
69.03432	15.6
70.86499	0.5
70.96713	0.9
104.28268	0.5
105.07022	1.0
119.08598	0.6
128.06157	0.5
129.06937	0.6
141.06970	1.5
142.07698	0.6
143.08508	1.0
153.06946	1.8
154.07755	2.0
154.62704	0.5
155.08539	3.5
156.09348	3.5
165.06956	4.0
166.07759	3.1
167.08562	4.4
168.09283	1.6
169.08691	1.0
169.10127	20.7
179.08528	2.0
180.27034	0.5
181.06453	1.0
181.10110	12.9
182.10904	4.9
183.08066	1.3
183.11632	1.8
191.08539	3.7
192.09334	29.0
193.09853	1.8
195.08058	27.2
195.11693	2.5
196.08698	2.6
197.09624	2.7
197.13254	8.8
206.10948	1.6
207.11690	100.0
208.12029	4.6
209.09630	3.2
210.10405	20.6
225.09071	2.1
225.12743	54.3
225.16386	2.6
226.13103	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.6
55.05503	16.8
57.03426	6.2
57.07073	5.7
59.04998	25.8
67.05501	16.6
69.03426	22.4
69.07059	8.2
70.44049	7.6
70.44374	3.4
71.04983	14.0
77.03897	2.9
79.05492	24.2
81.03414	4.3
81.07053	39.8
82.06620	3.2
83.04977	47.5
83.08608	7.1
85.02903	5.9
85.06531	6.1
91.05468	24.7
93.00986	2.8
93.07030	37.7
95.04964	12.6
95.08620	27.7
97.02912	6.2
97.06521	15.3
99.04449	7.7
99.08070	11.4
100.11249	15.0
105.07030	46.8
107.04971	5.8
107.07943	5.3
107.08595	50.3
109.06514	38.8
109.10155	18.6
111.04414	17.4
111.08054	7.8
117.07050	3.1
117.82453	3.1
119.04922	2.5
119.08593	30.9
121.06478	16.2
121.10139	62.7
123.04465	3.5
123.08065	100.0
123.11691	10.7
125.05991	14.7
125.09612	14.0
127.07506	4.4
131.08565	12.5
133.06467	4.4
133.10130	14.2
135.08047	5.8
135.11719	6.6
137.05957	6.1
137.09598	37.5
139.07578	3.8
139.11169	43.3
141.06973	4.1
141.09067	4.4
145.10103	10.5
146.07265	3.1
147.08028	11.2
147.11665	20.8
149.09613	52.8
149.13368	4.6
151.07541	13.7
151.11217	14.3
155.08534	3.6
156.09329	6.3
159.11667	3.2
161.09596	12.1
161.13255	18.5
163.11186	26.2
165.09108	7.4
165.12724	13.1
167.10658	37.8
169.08594	12.6
171.11659	9.3
177.12762	8.3
179.06990	4.6
179.10641	5.2
179.14326	7.0
181.12280	10.2
183.08012	2.9
189.12744	41.4
198.60960	3.1
203.64067	3.1
207.13776	39.0
225.09247	3.9
225.14720	24.1
226.19118	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.24235	1.8
54.69998	1.7
55.05507	8.9
57.07079	4.2
59.05000	8.8
67.05502	23.3
69.03427	3.6
69.07063	3.8
70.88950	2.8
71.04987	4.2
79.05486	3.8
81.07052	19.1
83.04986	6.7
83.74571	1.9
85.02909	42.0
85.06548	7.7
91.05484	9.1
93.07037	12.6
95.04963	4.1
95.08606	100.0
97.06536	2.9
97.10173	2.2
99.04459	3.3
101.06015	2.5
105.07030	10.5
107.04951	2.4
107.08612	13.5
109.06510	12.5
109.10152	7.4
111.08112	2.0
113.06037	5.3
119.08587	13.0
121.06516	2.3
121.10129	10.1
123.08064	33.0
123.11704	30.4
125.05978	4.2
133.10121	3.4
134.92764	1.9
135.11723	12.5
137.09645	6.9
141.09111	7.6
145.10069	2.7
147.08060	3.3
147.11693	7.3
149.09602	19.5
151.07501	9.6
151.14777	3.5
159.11543	2.1
161.09666	3.0
161.13258	9.1
163.11275	3.1
165.09140	16.5
165.12775	4.2
169.08601	2.3
175.03955	2.7
179.14337	5.8
189.12747	7.7
207.13789	24.1
225.07326	2.7
225.14857	15.2
233.70509	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.01872	3.1
55.05510	15.1
57.03431	5.7
57.07081	2.4
58.94392	1.3
59.04994	4.4
62.43399	1.4
67.05502	13.2
69.03433	3.2
69.07064	11.8
70.67348	2.6
70.67680	1.8
71.05004	8.4
71.08620	1.2
75.21622	1.2
77.49352	1.3
79.05494	9.7
81.07059	50.0
83.04972	7.8
83.08605	1.8
83.67770	1.2
85.02903	5.2
85.06547	5.4
91.05488	5.7
93.07035	10.0
95.04941	6.3
95.06124	1.4
95.08051	2.1
95.08611	21.4
95.58422	1.3
97.02888	6.2
97.06535	5.8
97.10172	3.0
99.04459	100.0
99.08089	10.1
101.05978	1.6
105.07019	8.7
107.08589	16.0
109.06516	16.6
109.10164	14.7
111.04430	7.7
111.08079	4.2
113.06036	2.0
115.03928	4.8
119.05026	1.4
119.08588	12.2
121.06504	1.6
121.10162	15.0
123.08072	22.9
123.11710	9.3
125.09646	3.7
127.07578	8.0
127.11227	8.0
133.10129	3.1
135.08080	3.2
135.11719	2.3
137.05977	1.5
137.09637	9.3
137.13252	9.2
139.07561	3.3
141.09099	7.8
143.10692	1.4
145.10136	2.2
147.04378	2.3
147.11693	12.0
149.09618	14.0
151.07553	6.4
151.11218	10.6
161.13283	5.1
163.11128	4.2
165.12737	11.6
167.10722	1.6
169.08562	1.7
171.11798	1.3
175.03915	4.3
179.14285	3.9
183.13779	2.2
189.12756	8.0
207.06479	4.6
207.13824	14.3
225.14868	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68053	0.8
55.05509	1.7
57.07058	2.8
59.70291	0.8
62.82409	0.9
65.03922	1.6
67.05505	5.0
67.74974	0.9
67.93984	0.8
69.03452	0.8
69.07076	1.0
70.46581	1.1
70.46915	1.7
71.04996	1.0
79.05476	3.8
81.07063	19.4
83.04958	1.3
83.08607	1.2
85.02905	100.0
85.06567	1.0
91.05481	13.6
93.07028	3.5
95.04961	0.8
95.08620	6.4
97.06439	0.9
103.05415	1.1
105.07027	4.4
107.04988	1.3
107.08562	3.8
109.06526	2.1
109.10162	10.7
115.84916	1.1
118.04191	0.9
119.04932	12.1
119.08568	4.3
121.06470	1.1
121.10136	9.3
123.04418	1.2
123.08077	1.1
123.11710	69.3
124.11988	1.0
125.05987	8.7
125.09649	1.9
133.10199	1.0
137.05998	2.1
137.09579	1.2
139.07471	1.0
139.11150	1.1
140.81927	0.8
145.10127	1.4
147.04391	8.5
147.08049	3.0
147.11681	4.1
149.02319	1.7
149.09622	6.6
151.07570	3.0
157.03963	1.0
161.06081	1.1
161.13252	1.5
165.12813	1.3
167.10735	1.2
171.11670	1.1
175.03920	16.4
179.07068	1.6
189.12766	3.6
192.04196	5.5
193.04807	1.1
207.06497	20.0
207.13829	13.5
225.07358	2.7
225.14850	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Grasshopper ketone
Peak:m/z	Relative Intensity
53.15573	0.7
55.05503	2.0
57.07072	1.1
59.05008	3.4
59.07835	0.6
65.03941	0.9
67.05498	3.8
68.49559	0.6
69.03430	46.2
69.07056	1.6
69.81432	2.9
79.05494	2.2
81.07063	4.2
83.04978	7.3
87.04466	32.4
91.05466	2.5
93.07038	5.0
95.04961	0.9
95.08603	6.8
97.06503	3.3
99.13704	0.7
105.07021	3.5
107.08600	2.1
109.02885	0.9
109.06506	2.2
109.10152	12.9
111.08043	0.9
118.47759	0.7
119.04948	0.8
119.08588	3.1
121.06478	0.8
121.10145	23.7
123.08064	5.0
125.05983	2.5
125.59087	0.8
132.73003	0.7
133.10088	0.9
136.05185	0.8
137.05995	1.3
137.09627	4.1
139.11176	100.0
140.11545	1.5
145.10135	0.9
147.11676	1.2
149.09583	1.1
151.07544	3.9
151.11163	1.3
161.09631	0.8
163.11179	0.7
165.09145	2.9
165.12721	1.7
167.10686	1.4
169.08588	3.6
179.07031	4.2
189.12738	0.8
207.10313	0.8
207.13815	4.6
225.07423	1.2
225.11102	0.9
225.14830	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.01864	3.6
55.05503	16.8
57.03426	6.2
57.07073	5.7
59.04998	25.8
67.05501	16.6
69.03426	22.4
69.07059	8.2
70.44049	7.6
70.44374	3.4
71.04983	14.0
77.03897	2.9
79.05492	24.2
81.03414	4.3
81.07053	39.8
82.06620	3.2
83.04977	47.5
83.08608	7.1
85.02903	5.9
85.06531	6.1
91.05468	24.7
93.00986	2.8
93.07030	37.7
95.04964	12.6
95.08620	27.7
97.02912	6.2
97.06521	15.3
99.04449	7.7
99.08070	11.4
100.11249	15.0
105.07030	46.8
107.04971	5.8
107.07943	5.3
107.08595	50.3
109.06514	38.8
109.10155	18.6
111.04414	17.4
111.08054	7.8
117.07050	3.1
117.82453	3.1
119.04922	2.5
119.08593	30.9
121.06478	16.2
121.10139	62.7
123.04465	3.5
123.08065	100.0
123.11691	10.7
125.05991	14.7
125.09612	14.0
127.07506	4.4
131.08565	12.5
133.06467	4.4
133.10130	14.2
135.08047	5.8
135.11719	6.6
137.05957	6.1
137.09598	37.5
139.07578	3.8
139.11169	43.3
141.06973	4.1
141.09067	4.4
145.10103	10.5
146.07265	3.1
147.08028	11.2
147.11665	20.8
149.09613	52.8
149.13368	4.6
151.07541	13.7
151.11217	14.3
155.08534	3.6
156.09329	6.3
159.11667	3.2
161.09596	12.1
161.13255	18.5
163.11186	26.2
165.09108	7.4
165.12724	13.1
167.10658	37.8
169.08594	12.6
171.11659	9.3
177.12762	8.3
179.06990	4.6
179.10641	5.2
179.14326	7.0
181.12280	10.2
183.08012	2.9
189.12744	41.4
198.60960	3.1
203.64067	3.1
207.13776	39.0
225.09247	3.9
225.14720	24.1
226.19118	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	(6R)-vomifoliol
Peak:m/z	Relative Intensity
52.67162	0.7
55.01854	0.8
55.05507	4.1
57.03418	1.6
57.07064	2.0
59.05003	1.6
67.05507	7.3
69.03418	3.0
69.07060	1.5
71.04987	3.3
71.31441	1.2
79.05500	4.2
81.03404	1.0
81.07066	6.4
83.04977	20.5
85.02882	1.2
85.06542	1.1
85.35577	0.8
91.05470	3.8
93.03415	1.0
93.07060	6.0
95.04973	4.0
95.08613	11.7
97.06509	3.0
99.08083	9.3
101.06037	0.8
105.07037	6.2
107.08593	9.5
109.06514	26.6
109.10131	5.2
111.04441	12.9
111.08069	1.0
119.08581	7.1
121.06483	5.9
121.10132	8.6
123.08065	100.0
123.11644	2.2
123.15141	0.9
124.08394	1.6
125.06093	1.2
125.09619	6.3
127.07616	1.8
133.10138	2.9
135.11638	2.3
137.09631	6.2
139.11185	1.4
141.09123	1.8
147.08014	1.1
147.11694	4.4
149.09601	8.4
149.79143	0.8
151.03928	1.8
151.07513	2.9
151.11168	4.0
154.07686	1.0
155.10669	1.0
161.09702	1.4
161.13261	1.8
163.11189	2.9
165.06909	1.8
165.09067	1.4
165.12724	3.8
167.10704	5.9
179.07187	1.0
179.10641	2.7
182.07217	2.8
189.12749	3.9
193.08568	1.5
207.10118	3.4
207.13831	7.6
209.06581	0.9
210.06747	1.8
225.09138	9.1
225.12683	1.5
225.14806	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23570	2.3
58.04330	2.4
69.29144	17.4
82.06568	6.4
94.92994	3.1
98.22589	3.4
101.00864	5.8
119.01876	3.7
120.94537	6.7
124.01609	7.1
131.01933	4.3
143.01808	3.7
161.02948	3.6
168.00586	76.6
169.03413	3.8
185.02934	4.3
196.85629	3.2
208.96074	3.0
210.06270	5.6
222.05222	2.7
226.86723	7.3
227.07884	100.0
228.07179	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03945	2.0
55.01866	5.5
55.05515	3.2
57.03428	2.6
58.41446	1.1
65.03938	12.6
67.05503	4.3
69.03438	1.3
69.05442	11.1
69.07076	2.9
71.04973	1.6
73.02511	2.0
73.02922	39.4
79.05491	4.1
81.03359	1.3
81.07060	4.5
82.04195	2.8
83.04998	1.6
85.02902	4.3
91.05479	4.3
92.87010	1.1
93.03412	8.6
93.07046	6.1
95.04970	19.7
95.08595	2.2
97.06544	5.5
99.04456	2.0
100.11260	11.1
105.07039	1.9
107.04922	2.3
107.08608	2.6
108.02095	1.1
109.06489	2.4
109.10144	1.9
110.03685	5.8
111.04459	11.2
121.06491	2.8
121.10143	5.2
123.04452	11.9
123.11730	5.9
125.02357	2.0
125.05994	10.5
125.09583	2.0
127.07548	1.3
128.68275	1.2
129.07031	1.2
131.33182	1.0
133.10168	1.7
138.03137	2.7
139.03909	3.3
139.11159	1.6
140.04683	51.1
142.02628	2.8
147.11754	1.0
149.06108	2.1
149.09590	3.0
151.03902	4.3
151.11214	1.7
153.05472	4.1
153.09119	2.7
154.02647	3.0
155.07031	54.6
162.09653	1.1
163.11176	1.2
167.07054	4.1
167.10611	7.0
169.04950	7.3
171.06526	4.6
173.08080	2.2
173.13409	1.2
177.05467	1.4
179.07069	3.5
181.04961	100.0
181.08551	3.1
183.06534	1.6
190.99605	1.2
191.14215	1.4
195.06537	6.6
195.08066	1.6
209.06320	1.5
209.08078	27.0
215.46436	1.2
227.07018	2.0
227.09003	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03936	1.4
55.01870	6.5
55.05503	1.5
59.05011	0.5
65.03934	7.7
66.63566	0.5
67.05503	3.6
68.99819	0.6
69.03422	1.9
69.07057	1.0
69.35709	3.0
71.04999	0.7
73.02917	34.5
79.05501	1.6
81.07063	1.7
82.04195	2.8
83.04953	0.7
85.02897	4.0
91.03952	0.6
91.05490	2.5
93.03399	2.1
93.07056	2.4
95.04971	9.1
95.08629	1.0
97.02895	1.1
97.06540	2.7
98.23377	0.6
99.04457	0.7
99.08076	1.3
100.11271	4.0
103.05455	1.4
105.04525	0.9
105.07027	0.8
107.04960	0.9
107.08601	1.2
108.02092	1.9
109.06501	1.1
109.10162	0.5
110.03655	3.8
111.04416	1.3
121.06503	2.7
121.10121	0.7
123.00785	0.8
123.04425	8.5
125.02350	3.7
125.05971	2.0
125.09564	0.7
127.03914	0.7
133.10138	1.6
137.05992	0.6
138.03128	1.7
139.11200	0.6
140.04681	51.3
141.05009	0.6
142.02618	3.5
143.03363	0.4
145.77618	0.6
148.05231	0.5
149.05968	1.2
149.09547	0.5
153.05481	3.7
153.09091	1.4
155.07030	51.0
156.07411	0.9
166.06264	0.9
167.03409	0.5
167.07037	13.2
167.08380	1.0
168.07378	0.7
171.06520	4.6
173.08099	3.5
177.05490	1.6
179.07022	1.8
181.04956	100.0
182.05302	1.9
191.14209	0.5
195.42867	0.5
199.11191	0.5
199.97519	0.5
204.99905	0.5
209.04601	0.8
209.08083	20.7
209.16728	0.5
213.27397	0.5
227.07133	0.9
227.09097	12.2
227.11128	0.8
227.16359	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0914
Annotation	Ficusol
Peak:m/z	Relative Intensity
50.08530	0.7
53.03929	2.2
55.01868	1.7
65.03947	1.2
65.10754	0.6
69.30409	0.7
70.06602	6.2
71.29711	1.0
72.93826	0.7
73.02927	0.7
74.24349	0.6
77.03914	0.8
78.04718	3.7
79.05483	2.9
81.03406	0.9
84.04494	3.7
84.08140	3.1
89.03905	1.7
89.59406	0.8
91.05473	10.5
93.07059	5.7
94.36150	0.8
95.04958	2.4
98.97543	0.7
103.05467	9.5
105.03409	1.1
105.04513	1.3
106.04163	2.6
107.04977	5.0
109.06518	1.3
116.07108	2.5
117.03385	1.9
119.04942	2.5
120.05756	0.9
121.06512	15.5
122.03608	1.2
123.04422	8.6
124.05190	2.5
131.04938	10.8
133.02832	1.6
134.03633	3.8
135.04463	2.0
137.05971	8.6
140.04674	3.3
140.77179	0.9
145.02829	2.7
147.04402	2.7
148.05194	4.2
149.05984	20.0
151.03899	2.3
152.04669	2.1
155.07074	1.2
159.04445	5.6
159.05615	1.0
163.03908	1.8
163.07550	1.8
165.05460	1.8
167.07043	100.0
168.07437	1.9
176.04770	1.5
177.05473	33.5
177.07016	1.8
178.06027	1.0
180.07837	1.1
181.04892	0.8
181.08430	1.1
181.09819	1.3
191.07001	1.1
194.05722	2.2
209.08011	6.7
213.58902	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1066
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
53.03949	0.6
55.01868	5.6
55.05510	6.1
57.03446	0.8
57.07064	1.7
61.52492	0.5
65.03941	0.7
67.01862	1.1
67.05499	2.7
69.03428	21.9
69.06744	0.6
69.07059	5.0
70.55791	1.5
71.04715	0.4
71.04996	4.7
79.05505	3.0
81.07054	2.9
83.04980	16.7
83.08608	3.1
85.06544	2.6
87.04455	2.3
91.05485	3.3
91.95512	0.6
93.07047	6.0
95.04949	2.5
95.08601	5.3
97.06541	3.1
97.10163	0.7
99.04437	1.9
100.11250	9.0
101.11584	1.0
103.05446	0.6
105.07031	5.4
107.04972	0.9
107.08597	10.7
109.06516	2.3
109.10137	1.8
111.08080	72.7
112.08420	0.7
113.06062	1.0
115.05441	2.0
117.06976	1.3
119.08574	2.2
121.06500	2.2
121.10148	14.6
123.08066	2.1
123.11719	1.5
123.62734	0.6
125.09630	66.6
126.09949	1.3
128.06216	11.4
128.07098	1.0
129.06995	4.9
130.07794	0.8
131.08551	2.4
133.10127	2.1
135.11678	3.1
137.09563	1.0
137.13223	1.6
139.11136	1.2
141.06984	10.7
142.07782	9.4
143.08565	13.6
143.10649	3.1
145.06491	2.2
145.10088	2.0
147.11691	1.6
149.09619	1.6
149.13234	1.3
150.81033	0.6
151.07561	1.3
151.11183	2.7
152.06194	1.5
153.07047	4.7
153.09097	0.8
154.07796	1.4
155.06013	0.8
155.08539	6.2
156.09351	17.0
157.06493	1.8
157.10072	3.7
158.07272	3.2
159.08044	3.7
163.11217	3.3
163.14825	5.1
165.07018	7.7
166.07784	10.5
167.07135	1.0
167.08517	3.0
167.10745	1.2
168.09372	4.1
169.06468	11.1
169.08615	12.2
170.07288	3.3
171.08054	7.6
171.10229	0.7
171.11688	11.5
181.10132	8.9
181.15891	3.0
183.08087	5.0
183.11679	3.1
184.08841	24.7
185.06013	0.6
185.09599	8.0
191.14301	2.9
191.33611	0.6
194.07324	2.6
195.08005	1.9
197.05983	5.2
197.09680	1.3
198.06738	0.7
199.07646	2.8
199.11179	53.3
200.11542	1.7
209.09642	13.4
209.11609	0.5
209.15324	12.1
211.07529	2.9
212.08313	35.6
213.08694	1.4
227.10660	100.0
227.16246	8.6
228.10963	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.9
55.05494	9.2
67.05505	16.1
67.67671	2.6
68.38431	2.4
69.03431	5.3
71.04994	14.3
73.02908	2.8
79.05488	18.7
81.07052	15.7
83.04941	3.3
85.02897	3.8
85.06544	5.4
86.09692	9.3
91.05469	12.2
93.07040	49.1
95.04963	8.4
95.08621	6.2
97.06552	4.4
99.04452	23.7
100.11260	15.9
101.40405	2.4
105.07039	46.7
107.08590	84.4
109.06527	6.0
109.10206	4.8
111.08088	3.2
113.05974	3.7
117.07000	7.3
119.08566	18.4
121.02872	2.8
121.06493	13.3
121.10141	59.8
123.08070	4.9
125.09635	2.9
127.07536	3.5
128.06226	6.4
131.08594	4.6
135.08066	6.5
135.11688	21.2
139.05403	11.8
143.08594	2.9
145.10117	31.1
149.09598	7.1
155.04903	5.2
155.08531	4.1
156.05682	9.4
163.11169	95.5
163.32678	2.7
167.03421	4.6
167.04865	6.7
167.07024	10.2
167.08362	4.1
171.08058	5.0
173.09598	9.1
181.06526	4.6
181.12207	28.8
184.05215	13.3
185.09630	3.8
191.10678	41.2
197.05936	3.4
199.07526	9.3
199.11166	3.7
209.08075	4.2
209.11696	11.9
212.04745	24.0
212.08252	3.6
227.07010	100.0
227.10457	18.8
227.14372	3.8
227.17909	4.0
228.02010	2.7
228.07376	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03938	5.9
54.75380	2.5
55.01872	14.9
55.05513	23.2
57.03427	12.2
57.07062	4.2
59.04990	5.1
61.02912	5.8
65.03937	3.4
67.05505	39.9
68.99782	6.0
69.03436	13.9
69.07069	21.5
71.04992	32.7
71.30087	3.2
73.02922	3.7
79.05497	27.8
81.03415	11.4
81.07056	40.6
83.04985	14.0
83.08618	10.4
85.02882	10.9
85.06547	14.7
86.78712	2.6
91.05479	38.1
93.06478	3.8
93.07040	57.6
93.20094	2.4
95.04955	29.6
95.08608	63.7
97.02863	5.6
97.06534	12.2
97.10156	6.9
99.04456	63.6
99.08083	4.7
100.11237	17.0
101.21341	2.7
103.05485	3.6
103.84901	2.6
105.07032	33.8
107.04945	11.0
107.08594	66.4
108.99947	2.7
109.06514	21.8
109.10155	68.1
111.04435	7.1
111.08064	9.2
113.09634	7.6
114.79402	2.6
115.05461	7.9
117.07008	17.7
119.04902	3.0
119.08583	43.0
121.06499	10.2
121.09302	3.5
121.10152	51.2
123.04415	8.9
123.08096	16.0
123.11694	9.9
125.05969	3.5
125.09626	29.6
127.07503	3.5
128.06151	2.6
129.07010	6.5
130.06541	5.4
131.08557	24.7
132.08090	26.7
133.06433	3.7
133.10135	23.2
135.08026	18.4
135.11650	6.3
137.09605	54.6
139.11179	12.5
143.08545	6.9
145.10115	27.1
147.08052	7.1
147.11629	4.8
149.05971	5.7
149.09616	28.6
149.13235	10.3
151.11171	23.8
153.09103	6.6
154.06494	5.2
154.33640	2.7
156.08087	5.4
157.07588	3.4
158.07278	3.3
159.09158	20.4
160.07573	5.4
161.09616	11.5
163.11172	18.9
163.14784	6.3
165.06911	4.0
165.09122	5.8
165.12788	3.3
167.05696	2.8
167.07019	13.6
167.10699	14.2
169.12239	8.1
170.05992	6.9
173.09618	8.5
173.13266	10.5
177.05560	3.0
179.10646	7.8
181.07661	3.8
181.12169	3.9
183.13788	8.6
184.07555	11.1
185.07053	10.2
185.19592	3.0
191.10652	27.2
191.14299	13.1
193.82233	2.5
199.11188	9.6
200.07076	7.8
209.11681	28.9
209.15337	10.3
227.03419	3.3
227.08430	18.7
227.10713	8.7
227.12758	100.0
227.16415	11.8
228.13762	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03942	2.2
53.50573	0.7
55.01873	35.6
55.05516	6.5
56.02198	0.9
57.03450	3.9
57.07077	4.4
59.05005	1.4
65.03961	1.1
67.05177	1.4
67.05506	18.7
69.03416	5.9
69.04486	0.7
69.07068	30.5
69.44686	3.1
71.04996	23.5
75.04465	1.0
78.41006	0.7
79.05499	13.9
81.07054	15.0
83.04997	3.8
83.08631	4.1
85.06541	20.4
87.04456	2.3
91.05479	8.3
93.07046	21.6
95.04971	10.9
95.08609	30.9
97.06532	26.0
97.10184	1.0
99.04457	48.2
99.08075	1.7
100.11259	2.2
103.05485	1.1
105.07030	22.4
107.04930	1.6
107.08597	50.4
108.08925	1.4
109.06527	11.4
109.10165	9.5
111.04417	1.6
111.08087	8.8
111.11735	1.0
113.05994	6.4
113.09651	6.1
115.07551	5.2
117.06998	1.6
119.06091	1.0
119.08578	7.1
121.06503	7.1
121.10143	40.7
122.10519	0.8
123.08073	23.1
123.11714	9.7
125.05991	2.0
125.09605	6.8
127.07542	1.7
128.06233	1.6
129.07016	1.8
131.08517	5.0
133.06552	1.8
133.10129	9.2
135.08067	3.0
135.11705	10.2
137.09598	4.1
139.07506	1.0
139.11186	6.6
141.06984	1.8
141.12758	1.1
142.07730	1.4
142.88768	0.8
143.08604	4.0
145.10107	10.8
147.11682	5.2
149.05980	1.1
149.09589	9.1
149.13251	5.7
151.07545	12.6
151.11174	4.7
152.06216	1.1
153.06973	1.0
153.09070	4.1
153.12767	1.9
156.09375	2.8
157.10068	1.2
158.10938	0.9
163.11180	17.8
163.14804	6.4
165.07024	1.5
165.12778	1.4
166.07712	1.8
167.07043	3.1
167.08557	2.6
167.10672	7.1
169.08603	100.0
169.12233	2.3
170.08978	2.4
171.07982	1.3
171.11710	2.1
173.09596	1.7
173.13271	6.8
178.12115	0.8
179.08493	0.9
181.12236	7.9
181.15805	1.2
183.13800	6.2
184.08784	2.4
185.09601	1.1
187.35861	0.7
191.10663	5.4
191.14285	8.8
195.08047	1.9
197.05988	1.6
199.11200	5.4
209.09674	2.1
209.11752	5.4
209.15318	7.2
211.07457	0.9
212.08310	4.6
227.07039	1.3
227.10716	16.0
227.12770	3.5
227.16373	9.9
228.07616	0.9
228.10884	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01869	4.9
55.05494	9.2
67.05505	16.1
67.67671	2.6
68.38431	2.4
69.03431	5.3
71.04994	14.3
73.02908	2.8
79.05488	18.7
81.07052	15.7
83.04941	3.3
85.02897	3.8
85.06544	5.4
86.09692	9.3
91.05469	12.2
93.07040	49.1
95.04963	8.4
95.08621	6.2
97.06552	4.4
99.04452	23.7
100.11260	15.9
101.40405	2.4
105.07039	46.7
107.08590	84.4
109.06527	6.0
109.10206	4.8
111.08088	3.2
113.05974	3.7
117.07000	7.3
119.08566	18.4
121.02872	2.8
121.06493	13.3
121.10141	59.8
123.08070	4.9
125.09635	2.9
127.07536	3.5
128.06226	6.4
131.08594	4.6
135.08066	6.5
135.11688	21.2
139.05403	11.8
143.08594	2.9
145.10117	31.1
149.09598	7.1
155.04903	5.2
155.08531	4.1
156.05682	9.4
163.11169	95.5
163.32678	2.7
167.03421	4.6
167.04865	6.7
167.07024	10.2
167.08362	4.1
171.08058	5.0
173.09598	9.1
181.06526	4.6
181.12207	28.8
184.05215	13.3
185.09630	3.8
191.10678	41.2
197.05936	3.4
199.07526	9.3
199.11166	3.7
209.08075	4.2
209.11696	11.9
212.04745	24.0
212.08252	3.6
227.07010	100.0
227.10457	18.8
227.14372	3.8
227.17909	4.0
228.02010	2.7
228.07376	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Chloriolide
Peak:m/z	Relative Intensity
53.03926	5.7
55.01870	12.5
55.05509	28.6
58.46502	5.8
58.51558	5.0
67.05502	28.0
69.07068	11.9
69.23672	41.3
71.05001	8.3
71.53046	4.8
79.05492	44.9
81.03425	6.9
81.07056	40.1
83.04984	6.8
83.08630	15.8
83.69165	5.1
89.86339	4.9
91.05457	12.9
93.07049	46.8
95.04961	6.5
95.08598	57.5
97.06513	6.9
97.10165	7.0
99.04443	6.9
100.11266	12.2
105.07042	15.2
107.04961	13.0
107.08590	40.7
109.10215	9.7
111.04474	6.1
117.07050	15.7
119.08596	21.0
121.06500	13.2
121.10165	17.3
125.09649	9.0
128.06268	5.8
131.08600	8.9
133.10107	7.7
135.11690	77.6
143.08549	9.4
145.10117	42.2
156.09326	7.8
157.10161	19.3
163.11163	97.9
167.07076	7.5
171.07999	8.3
171.11711	17.8
181.12253	15.1
185.13315	11.8
189.11224	7.6
227.10680	7.3
227.12659	100.0
227.17938	34.6
228.13254	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01888	0.7
55.05502	3.6
57.07065	2.4
60.08160	6.9
61.56671	0.8
61.97719	0.7
62.98074	0.7
67.05503	1.9
69.03427	10.5
69.07063	1.4
71.04980	0.9
71.30570	1.3
73.44511	0.7
79.05493	2.6
81.07037	0.8
91.05480	9.6
93.07043	10.9
95.04984	2.1
95.08588	0.8
97.10175	1.1
98.19920	0.8
105.07026	4.9
107.08588	1.5
109.10166	0.8
115.05460	1.9
116.06219	1.0
117.07005	1.9
119.08578	23.0
121.06502	5.8
125.09610	1.3
128.06227	3.5
129.07045	3.8
131.08575	8.4
133.06500	7.5
133.10123	11.2
135.08006	1.3
141.06950	3.7
142.07774	12.6
143.08583	9.5
145.10143	3.2
152.06282	1.0
152.12207	0.8
153.06998	2.3
154.07750	1.7
155.08551	7.1
156.09358	14.0
157.06477	1.5
157.10132	29.1
159.08049	0.8
159.11690	1.1
165.06969	4.4
166.07776	2.9
167.08537	8.9
168.09340	1.9
169.06493	0.9
169.10132	13.8
170.10918	14.0
171.08057	4.3
171.11681	25.8
172.08794	2.1
172.11998	0.9
173.09653	1.4
179.08557	32.5
180.09218	1.8
181.10144	7.3
183.08104	1.1
183.11714	4.7
184.05136	1.1
184.08841	1.6
184.12503	7.1
185.09645	8.5
185.13237	10.5
186.10406	12.3
187.11166	1.2
193.10153	2.8
194.10925	32.9
195.11328	1.4
197.09612	10.5
197.13303	1.1
198.10222	1.3
199.07558	1.8
199.11121	4.3
199.14806	20.4
209.13252	53.1
210.13554	2.3
212.11946	15.9
213.12453	0.9
226.07803	6.1
227.08687	25.5
227.10669	8.4
227.14308	100.0
228.09297	12.7
228.14600	4.3
228.26857	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03945	1.5
55.01876	6.5
55.05508	3.7
57.03446	4.2
57.07080	2.8
59.04998	2.9
61.60151	0.9
67.05500	7.1
69.03424	4.8
69.07070	7.6
70.85624	1.9
71.04993	11.2
72.30080	0.9
79.05482	7.2
81.07062	10.1
83.04981	4.5
83.08610	2.9
85.06538	6.2
90.09464	0.9
91.05479	5.2
93.07040	13.1
95.04971	4.2
95.08609	13.8
97.06519	5.9
97.08159	0.9
99.04462	13.3
101.06011	0.9
105.07026	20.8
107.08591	28.2
107.09285	1.7
109.06524	4.8
109.10150	12.8
110.45527	0.9
111.08090	3.8
113.06007	1.7
119.08581	11.0
121.06538	2.8
121.10139	100.0
121.85543	0.9
122.07259	1.3
122.10478	2.9
123.08071	7.3
123.11695	7.4
125.09655	3.5
127.07542	1.7
131.08548	4.2
133.07629	2.0
133.10135	9.7
135.08012	5.2
135.11650	6.5
137.09618	8.8
139.11195	6.6
143.08607	0.9
145.10101	4.1
147.11665	8.7
148.13474	0.9
149.09607	4.4
149.13240	8.1
151.07562	2.9
151.11192	11.1
153.09140	2.1
153.12827	1.2
158.10941	2.6
163.11197	4.6
163.14790	6.7
165.12798	1.3
167.10693	2.0
167.14113	0.8
169.08597	15.1
169.12274	3.2
171.11708	1.2
173.13251	13.2
173.14621	1.2
181.12265	1.8
183.13792	1.4
191.10583	1.0
191.14297	21.8
195.08107	1.2
209.11763	1.2
209.15309	4.5
227.10733	1.3
227.16426	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.8
53.03944	2.2
53.50370	0.7
55.05512	8.3
56.02643	1.6
56.30621	0.7
64.56626	0.7
65.03936	1.3
67.05505	28.1
68.13239	0.6
69.07069	4.9
71.04993	100.0
71.30330	0.8
71.48573	0.6
72.05318	0.8
73.19445	0.7
79.05488	10.8
81.03421	0.8
81.07056	38.7
83.04964	1.6
83.08601	4.7
85.06554	3.3
91.05482	6.2
93.07046	16.3
95.04989	1.6
95.08607	19.6
97.06534	3.2
97.10164	3.1
99.04421	0.9
99.08102	1.7
100.11257	1.8
102.27728	0.7
105.07023	3.7
107.08601	7.9
109.06546	1.3
109.10150	4.7
111.08080	2.9
113.05965	1.2
117.07008	4.3
119.08588	2.1
121.06479	1.0
121.10178	2.5
123.08058	0.8
125.09644	3.2
129.07007	1.3
131.08517	3.4
133.10136	5.8
135.08029	1.5
135.11687	11.2
142.07742	1.0
143.08539	1.1
145.05200	0.7
149.13232	4.7
157.10161	1.6
159.11685	8.6
171.08092	0.9
171.11722	1.8
175.14851	2.1
177.12776	3.0
185.09712	0.9
185.13284	2.0
189.11163	1.1
194.11014	1.0
195.13811	1.8
199.11165	0.9
199.14781	0.9
209.13396	1.2
209.15407	1.1
212.11925	1.0
227.06830	1.1
227.10637	1.9
227.12706	2.2
227.14633	4.8
227.17996	2.4
228.23326	1.1
244.11327	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03963	2.4
55.05507	11.4
57.03438	19.4
57.07079	6.4
59.04991	13.1
67.05500	25.9
69.03424	25.0
69.07063	21.9
69.25718	12.4
69.26147	8.4
71.04997	13.0
75.04465	3.3
79.05492	13.3
81.07066	29.6
83.04977	17.2
83.08620	11.2
85.06548	7.8
90.41029	2.3
91.05466	15.1
93.07055	26.5
95.04966	8.9
95.08614	29.1
97.06557	9.2
97.18418	2.4
99.04426	3.4
99.08117	2.6
100.11259	3.9
105.07040	24.1
107.08591	100.0
109.06519	19.9
109.10155	74.4
111.08080	10.9
119.08569	13.5
121.06491	7.5
121.10146	90.9
122.07263	5.5
123.08070	10.0
123.11703	14.0
125.09645	19.4
129.09142	3.8
131.08598	14.3
133.10129	21.4
135.08037	18.6
135.11693	15.4
137.09619	35.5
139.07553	3.2
139.11157	14.6
145.10126	8.4
147.11710	11.6
149.09644	12.2
149.13242	50.3
151.11179	92.7
153.09064	7.3
153.12709	4.2
154.19633	2.9
158.10968	4.0
161.13289	3.4
163.14838	25.4
165.12753	3.3
167.07098	3.7
167.14395	3.5
169.12247	9.1
173.13254	44.9
179.14371	4.1
191.14317	67.0
192.62755	2.6
197.15276	2.5
209.15349	15.2
214.72070	2.3
217.03447	2.6
227.16402	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
52.62292	2.5
53.03944	2.7
55.01872	2.5
55.05513	14.4
57.03436	25.3
57.07065	4.7
59.05000	8.8
67.05506	22.0
69.03430	19.9
69.07062	22.1
70.48763	2.1
71.05000	12.4
72.74512	2.1
75.04482	6.9
75.71184	2.1
79.05489	14.9
81.07050	25.2
83.04978	21.4
83.08622	15.5
85.06558	6.5
91.05479	12.7
93.07047	26.9
94.02853	2.4
95.04966	5.3
95.08617	28.7
97.06541	10.4
97.10170	3.9
98.22530	5.0
99.04440	3.7
99.08116	3.6
100.02893	2.5
100.11262	5.4
105.07039	17.5
107.08591	92.4
109.06522	15.8
109.10154	79.1
111.08069	9.6
115.05453	2.4
117.07060	2.8
119.08599	9.3
121.06528	7.5
121.10146	69.5
122.07276	3.2
123.08099	8.9
123.11713	11.1
124.93050	2.3
125.09616	18.0
131.08592	11.3
133.10110	14.8
135.08057	11.4
135.11705	15.3
136.08817	2.3
137.09616	34.8
137.13321	2.1
139.11162	6.8
143.08580	2.9
143.10655	2.4
145.10127	7.3
147.11710	9.0
149.09644	8.9
149.13260	33.8
151.11180	100.0
153.09123	7.4
153.12752	4.6
158.10982	3.1
163.11215	5.4
163.14825	36.0
165.12772	7.0
167.06960	2.2
167.14218	2.4
169.08662	6.4
169.12251	23.2
173.13268	41.9
191.14310	79.1
191.15996	4.2
209.15291	13.8
227.06880	3.3
227.10750	7.7
227.16216	4.9
228.17514	2.6
230.02142	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01863	0.7
55.05510	3.4
56.02651	1.6
57.03430	0.6
65.03949	0.7
66.27298	0.3
67.05504	23.9
69.03423	0.4
69.07074	3.1
69.29134	2.4
71.04991	100.0
72.05321	1.1
79.05491	10.8
80.41567	0.3
81.03440	0.3
81.07053	31.0
82.07360	0.4
83.04987	1.4
83.08598	2.0
85.06538	2.6
85.86208	0.3
91.05482	5.3
91.06008	0.5
93.07043	16.0
95.04969	1.7
95.08604	14.6
97.06536	3.5
97.10193	0.6
98.22638	0.4
99.08101	1.2
105.07005	2.9
107.08593	6.8
109.06495	1.5
109.10149	1.5
111.08070	1.8
113.06003	0.9
115.05479	0.3
115.73317	0.3
117.07012	3.5
119.08617	1.1
121.06476	0.6
121.10122	1.6
123.08099	0.5
125.09623	0.7
127.07503	0.7
128.06152	0.3
129.06929	0.4
131.08569	3.8
133.10141	3.7
135.08051	0.9
135.11693	9.4
149.09601	0.5
149.13249	5.2
151.11194	0.4
157.10110	0.4
159.11688	6.9
171.11661	0.4
177.12762	2.3
181.10129	0.4
185.09586	0.3
185.13225	0.4
195.13841	1.4
197.09610	0.4
199.14894	0.4
209.13637	0.4
209.15419	1.3
227.10663	0.7
227.14577	1.5
233.32619	0.3
235.30232	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.7
57.03420	1.7
57.07067	5.4
59.04992	6.2
67.05513	4.4
69.03419	3.2
69.07058	5.1
69.54804	7.4
69.76750	1.4
71.04996	70.2
71.73456	1.6
76.96385	1.8
79.05496	5.3
81.07059	21.9
83.04977	7.1
83.08604	2.4
85.02895	3.2
85.06541	8.9
93.07057	4.7
95.08615	7.2
97.06576	2.0
97.10155	2.3
100.11239	4.6
102.50998	1.4
105.07042	3.2
107.08624	9.3
108.81385	1.6
109.10163	3.3
113.05996	3.8
113.09647	24.1
119.08617	2.0
121.10154	11.6
123.08075	4.8
123.11712	21.9
125.09639	74.1
127.11216	1.8
139.11192	17.8
152.48022	1.7
153.09128	12.3
155.08611	2.2
163.14778	3.5
181.15857	3.7
186.58041	1.6
209.15375	100.0
210.15652	2.8
221.24692	1.6
227.06763	2.2
227.14394	2.9
227.16293	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Blumenol B
Peak:m/z	Relative Intensity
55.05507	4.7
57.03420	1.7
57.07067	5.4
59.04992	6.2
67.05513	4.4
69.03419	3.2
69.07058	5.1
69.54804	7.4
69.76750	1.4
71.04996	70.2
71.73456	1.6
76.96385	1.8
79.05496	5.3
81.07059	21.9
83.04977	7.1
83.08604	2.4
85.02895	3.2
85.06541	8.9
93.07057	4.7
95.08615	7.2
97.06576	2.0
97.10155	2.3
100.11239	4.6
102.50998	1.4
105.07042	3.2
107.08624	9.3
108.81385	1.6
109.10163	3.3
113.05996	3.8
113.09647	24.1
119.08617	2.0
121.10154	11.6
123.08075	4.8
123.11712	21.9
125.09639	74.1
127.11216	1.8
139.11192	17.8
152.48022	1.7
153.09128	12.3
155.08611	2.2
163.14778	3.5
181.15857	3.7
186.58041	1.6
209.15375	100.0
210.15652	2.8
221.24692	1.6
227.06763	2.2
227.14394	2.9
227.16293	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Blumenol B
Peak:m/z	Relative Intensity
55.01865	2.7
55.05510	25.6
56.25963	2.1
57.03437	5.8
57.07076	5.4
59.05006	12.2
65.03951	7.4
67.05505	13.5
69.03430	37.4
69.05826	16.4
69.07058	16.0
71.04989	11.7
72.93748	1.6
73.02907	11.7
79.05494	12.1
80.69350	2.1
81.07046	17.8
83.04984	35.5
83.08632	9.5
85.02912	3.7
85.06548	7.0
87.04474	2.9
91.05489	7.1
93.03404	5.7
93.07040	23.9
95.04967	40.5
95.08602	18.1
97.06526	14.6
97.10159	13.6
99.04472	7.0
99.08094	19.9
100.11257	4.3
100.49516	1.8
101.06025	3.3
105.07023	13.5
107.04974	2.6
107.08591	36.3
109.06491	11.8
109.10158	14.2
111.04449	7.2
111.08077	9.8
111.11755	2.4
113.06030	6.9
113.09682	2.4
115.05492	2.4
115.07594	3.8
119.08576	6.3
121.06512	4.3
121.10128	25.6
123.04443	2.3
123.08070	6.0
123.11696	11.3
125.06011	7.0
125.09629	100.0
126.09966	2.5
127.07566	3.6
127.11221	4.6
131.08543	6.4
133.10112	13.3
135.04372	1.9
135.08066	7.9
135.11716	4.9
137.09625	7.8
139.07571	2.9
139.11182	5.6
140.04668	11.4
141.09145	3.1
143.08588	2.6
143.10635	2.5
145.10095	2.2
147.11705	4.2
149.05978	2.3
149.09610	30.8
149.10709	2.7
149.13242	13.9
151.11195	19.7
153.07065	2.4
153.09105	36.7
153.10287	2.5
153.12732	2.4
154.09642	2.3
155.06995	16.3
155.10608	2.7
156.09094	2.0
158.07243	2.9
163.14795	11.4
165.09076	1.9
165.12631	2.3
167.07024	8.6
167.10683	8.6
167.14317	3.8
169.05031	3.4
169.06557	3.6
171.08070	2.1
171.10196	5.0
171.11600	2.8
173.13300	7.9
181.04961	28.8
181.06464	3.6
181.08577	3.4
181.15944	2.8
184.08783	2.0
191.14319	15.3
191.26299	2.0
199.11237	5.5
209.08072	5.4
209.09825	2.4
209.12134	2.5
209.15369	62.0
209.17265	4.0
212.08386	3.0
213.64635	2.1
213.74287	1.9
227.10706	8.4
227.16339	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03931	2.7
55.01870	3.9
55.05511	16.8
57.03430	6.8
57.07083	3.5
59.04997	8.2
66.05547	1.8
66.26643	2.1
67.05505	16.3
69.03431	10.3
69.07070	13.8
71.04994	32.0
71.30046	2.4
72.91391	1.9
73.06570	3.0
79.05486	15.7
81.07056	30.5
83.01338	2.8
83.04984	11.5
83.08610	8.9
85.06545	9.5
88.98127	1.7
91.05473	12.1
93.07040	33.8
93.07611	2.7
95.04969	100.0
95.08611	26.2
97.06536	27.6
97.10194	4.0
98.97586	2.3
99.04453	26.3
99.08096	42.5
100.11261	12.1
101.06054	2.1
103.05465	3.1
105.07029	22.6
106.36549	1.9
107.04982	5.3
107.08595	54.4
109.06515	19.5
109.10146	26.2
111.04424	2.9
111.08090	7.2
113.05981	2.5
113.09658	4.8
115.07557	9.2
117.06970	4.2
119.08582	12.2
121.06503	6.2
121.10137	39.3
123.08054	7.9
123.11703	10.9
125.05962	5.3
125.09633	19.5
127.03951	3.0
127.07541	18.4
127.11205	2.3
129.06979	3.4
131.08598	10.8
132.08052	2.2
133.10126	51.2
135.08067	12.3
135.11696	10.5
137.09610	14.6
139.07582	3.3
139.11143	19.1
141.05527	2.3
142.07820	1.9
143.08533	5.5
143.10707	3.5
144.08052	2.3
145.10155	4.4
147.11662	9.3
148.05194	3.7
149.05919	2.2
149.09642	11.7
149.13243	18.8
151.11189	22.0
152.06200	4.1
153.07051	2.4
153.09100	28.5
155.07127	2.3
156.09354	5.3
157.10112	2.8
158.10915	4.4
158.34369	2.1
160.07558	3.6
161.13213	2.2
163.11142	2.9
163.14784	12.0
165.06987	4.0
165.12720	1.9
166.07761	3.8
167.07037	8.6
167.08548	7.5
169.05072	2.6
169.12274	4.5
171.08090	2.0
171.10202	9.8
171.11528	2.9
173.13271	19.7
177.05524	3.8
181.10138	2.8
185.08350	2.2
186.09131	2.6
186.47609	1.9
191.10699	3.0
191.14285	22.7
194.05728	2.7
195.06476	3.5
195.08038	6.0
198.09160	3.0
199.07410	2.0
199.11197	5.9
209.08038	10.2
209.09891	2.7
209.11723	4.3
209.15291	25.0
212.08376	4.7
227.06970	4.4
227.10654	21.5
227.16351	36.6
228.13843	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03931	1.6
55.01865	3.1
55.05511	33.2
57.03438	10.4
57.07075	11.5
59.04998	7.2
67.05180	1.3
67.05509	15.7
67.50482	0.9
69.03430	50.9
69.07069	37.8
70.10638	0.8
70.19063	1.2
70.19391	2.4
71.04991	9.4
73.02927	1.0
79.05494	20.8
81.07056	18.2
82.36929	0.9
83.01324	4.2
83.04979	27.2
83.08617	10.8
83.24373	0.8
85.02881	2.6
85.06064	1.7
85.06545	20.6
87.04459	1.3
91.05481	9.1
93.06544	1.4
93.07043	14.2
95.04951	3.6
95.08041	1.5
95.08605	18.0
97.02894	18.5
97.06532	32.8
97.10162	14.5
99.04429	2.8
99.08093	66.3
101.05997	1.3
105.07040	7.4
107.08592	41.3
109.06519	10.6
109.10159	18.4
111.04459	6.9
111.08077	9.5
113.05957	5.5
113.09634	13.5
115.05410	1.2
115.07569	50.1
117.06999	2.3
119.08584	3.1
120.47350	1.0
121.06480	1.0
121.10146	20.1
122.42686	0.9
123.08052	3.8
123.11713	8.8
124.51122	1.2
125.06005	2.0
125.09631	100.0
126.09922	1.2
127.07544	3.3
127.11203	6.0
129.06998	1.6
129.66776	0.9
131.08546	4.4
133.10139	9.0
135.08055	15.4
135.11670	7.6
137.09647	4.7
137.13184	2.6
139.07530	5.5
139.11151	4.1
141.07002	1.1
143.08549	1.4
145.10143	1.6
147.11716	1.5
149.09627	36.2
149.13245	5.7
150.09798	0.9
151.11177	11.5
153.09103	47.7
153.12738	18.5
154.09392	1.3
155.10670	3.0
156.09372	1.5
158.10936	0.9
161.09636	1.8
161.13264	1.2
163.14815	14.0
165.12721	1.4
167.07028	2.1
167.10684	3.3
167.14314	1.1
169.01561	0.9
169.12213	2.0
171.10159	5.1
171.11545	1.8
173.13268	8.0
176.11951	1.9
179.14229	1.0
181.15854	3.6
183.13826	2.4
189.11212	3.5
191.14311	29.2
209.15375	57.2
210.15651	2.1
227.06960	1.3
227.10677	1.9
227.12868	14.0
227.16385	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.01863	2.1
55.05517	8.9
56.96537	1.8
57.03431	6.0
57.07072	5.9
59.04984	6.2
65.03930	1.7
67.05511	10.3
69.03435	5.8
69.07061	14.7
69.42494	8.4
71.04996	28.2
73.02905	5.5
73.06540	4.6
79.05485	10.1
81.07055	20.4
81.66068	1.3
83.04982	6.2
83.08610	6.1
85.06547	12.5
91.05489	9.8
93.07048	25.7
95.04970	100.0
95.08127	1.6
95.08620	15.8
96.05320	1.6
97.06540	21.5
97.10162	4.7
99.04441	12.1
99.08097	32.1
105.07014	13.1
107.08601	29.4
109.06528	17.4
109.10153	13.5
111.08097	8.4
113.05987	2.9
113.09607	1.7
115.05453	2.0
115.07581	8.1
116.86501	1.4
117.07047	2.4
119.08596	10.2
121.06544	2.2
121.10150	26.8
123.04501	1.7
123.08071	4.1
123.11710	7.6
125.05983	1.9
125.09628	14.7
126.01092	2.2
127.07539	13.6
128.00768	2.1
131.08562	7.8
133.10135	36.9
135.08051	8.1
135.11714	8.4
137.09610	6.5
139.11174	14.0
140.04672	6.6
141.02245	2.3
143.10631	9.7
145.10110	2.9
147.11633	9.1
149.09618	3.8
149.13280	10.7
151.11183	5.2
152.54849	1.4
153.07123	2.1
153.09120	29.1
155.07014	6.7
159.03302	2.5
163.14824	4.8
164.07101	1.6
165.12663	1.9
167.07019	5.2
167.10661	1.9
167.14377	2.2
171.10188	19.5
173.13234	15.7
181.05000	15.9
181.06462	2.9
191.14357	11.2
209.08075	4.4
209.15424	14.6
210.07651	1.7
227.03804	2.3
227.07028	4.2
227.08989	2.4
227.16417	61.6
228.16632	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Annuionone G
Peak:m/z	Relative Intensity
52.71577	2.8
55.01867	5.9
55.05507	27.1
57.03431	10.8
57.07073	15.7
59.05006	5.4
67.05495	28.9
69.03423	12.5
69.07065	44.8
69.18697	21.0
69.19101	5.1
71.01352	7.0
71.04976	20.1
79.05496	22.9
81.07056	58.9
83.04986	11.2
83.08626	16.1
85.06545	8.8
87.04479	4.3
91.05463	21.2
93.07044	65.3
95.04962	18.0
95.08596	54.5
96.08926	5.4
97.06521	22.7
97.10175	10.0
99.04461	7.4
99.08110	7.2
100.11270	8.2
101.05969	4.2
103.05471	4.0
105.07024	35.0
107.04930	4.2
107.08591	73.7
109.06528	13.1
109.10156	51.9
111.04426	6.5
111.08089	12.4
113.09671	4.1
117.07051	7.6
119.08584	15.8
121.06490	9.9
121.10141	100.0
123.08065	22.7
123.11697	45.1
125.05951	3.6
125.09629	31.5
127.11196	37.6
129.06998	5.0
131.08549	16.0
133.10123	47.7
135.08032	29.0
135.11693	21.0
137.06029	8.1
137.09610	26.3
137.13243	28.6
139.07532	7.0
139.11154	12.2
143.08546	7.6
145.10074	7.2
147.11681	13.3
149.09622	97.8
149.13232	37.9
151.11165	36.3
153.09122	12.2
156.09352	4.1
158.10976	8.1
163.07568	4.9
163.11273	5.4
163.14822	27.2
165.08994	3.9
165.12743	21.0
167.07045	23.1
167.10680	53.9
167.14322	3.4
169.06519	3.5
173.13289	33.5
179.14444	3.3
181.15881	6.3
189.39099	3.1
191.10721	4.2
191.14307	54.5
199.11284	6.0
201.21741	3.4
202.80542	4.1
209.11838	5.7
209.15344	71.5
227.10655	10.1
227.16344	27.0
232.78008	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Blumenol B
Peak:m/z	Relative Intensity
51.92087	1.1
53.03946	1.9
55.05513	100.0
57.07076	6.5
58.08182	0.9
59.04991	3.4
59.70732	1.0
62.20776	0.9
67.05499	2.1
69.03430	50.3
69.03815	2.4
69.06203	8.8
69.07071	94.4
71.04985	1.5
79.05489	4.4
81.07060	8.2
83.04983	84.4
83.08617	7.0
85.06541	11.7
87.04462	2.1
91.05468	2.4
93.07027	3.7
95.04989	2.9
95.08600	3.3
97.06549	5.2
97.10192	5.4
98.23331	2.7
99.08083	21.3
100.11250	2.5
105.07035	2.2
107.08607	9.5
109.06530	5.1
109.10141	1.4
111.08097	5.0
111.11720	3.4
113.06001	4.8
121.10093	5.5
123.08028	3.1
123.11726	8.7
125.09634	87.0
126.09992	2.0
127.07559	22.4
137.13245	1.6
139.11182	74.8
143.10678	8.5
149.09631	1.4
151.07770	1.1
151.11073	1.3
152.06172	1.9
153.09076	9.7
165.12764	10.2
166.07808	2.1
167.07101	1.8
167.08493	5.0
167.10686	19.5
169.10114	1.1
173.76376	1.0
183.13811	53.6
191.14307	1.4
195.08070	6.6
197.05934	1.5
209.15372	31.4
212.08298	1.7
226.02679	0.9
227.10689	10.9
227.16406	57.1
228.16701	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91407	0.5
58.77294	0.2
64.60641	0.2
65.98546	0.3
69.21834	0.5
69.22240	1.7
75.02345	0.3
75.22121	0.2
98.97700	0.3
101.00889	3.1
103.00644	1.7
116.98837	0.6
119.01926	8.5
120.02067	0.5
121.01667	4.0
121.02425	0.4
122.97807	0.6
131.01912	0.6
134.99898	2.4
137.02968	2.7
138.99438	0.3
139.02724	1.0
140.98782	1.6
142.03502	0.4
153.00946	1.1
158.99875	7.3
160.00017	0.5
161.01460	0.7
162.99371	0.5
169.77168	0.2
177.00951	70.7
178.01070	5.4
179.00896	0.7
179.02620	0.5
180.00891	0.5
181.00433	7.3
181.03204	0.3
185.01457	0.8
188.07803	0.3
191.03998	0.6
195.02023	1.0
199.01538	0.3
199.04433	0.3
200.02560	0.7
201.00946	0.6
201.06053	0.3
203.02518	33.3
204.02664	2.2
205.00436	1.5
206.00650	0.5
210.99323	2.1
219.02007	13.3
219.07109	0.4
220.02110	1.1
221.01793	0.6
221.03711	1.2
222.01686	0.4
223.01474	6.6
226.04036	0.6
228.23254	0.3
229.00412	9.1
229.12646	0.3
229.15450	0.4
230.00713	0.4
247.01500	100.0
248.01625	7.9
249.01738	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0707
Annotation	Nortetillapyrone
Peak:m/z	Relative Intensity
53.03947	2.0
55.01880	5.3
55.05501	3.7
57.03432	1.9
58.06589	2.1
59.07368	0.9
60.08152	1.7
61.02922	7.8
65.03941	7.1
67.05508	8.8
68.99783	1.6
69.03414	2.7
69.18738	4.8
69.19144	2.5
70.06593	19.4
71.01339	1.6
71.04990	0.9
76.09843	0.9
77.03922	2.0
79.05480	3.9
81.03416	8.3
81.07045	1.8
83.04990	2.5
84.08189	0.9
85.02891	1.9
86.09695	1.9
91.05471	5.4
93.03391	2.4
93.07008	1.3
95.04970	36.3
96.02087	2.1
105.03396	6.9
106.75935	0.8
107.04942	5.4
109.02879	32.9
109.06552	5.5
111.04435	3.5
114.05542	1.1
115.05460	2.7
116.01097	1.0
116.07079	3.5
119.01948	1.2
120.08090	3.6
121.02868	2.7
121.06522	1.4
122.03649	1.3
123.04431	28.2
124.07619	1.4
125.02307	1.8
125.05928	1.4
126.03135	40.6
127.03963	1.0
129.07002	2.0
133.02849	34.6
135.04373	3.1
137.05980	11.5
138.03119	10.1
139.03886	2.2
141.05455	64.6
141.06989	10.7
141.09993	0.9
142.08604	6.3
148.01616	1.1
149.02339	12.1
150.03119	1.6
151.03912	16.7
153.05466	4.2
157.04962	15.9
157.06320	1.7
158.07236	2.4
159.08090	1.3
163.03902	3.0
165.05489	19.6
166.02625	9.5
167.03392	100.0
167.04453	5.5
168.03767	2.1
168.05717	1.8
169.04950	8.3
169.06491	13.2
177.17285	1.0
178.02631	6.2
179.03410	11.9
181.03360	1.1
181.04968	22.6
181.98843	1.0
183.06512	25.5
183.07890	1.4
184.07495	1.2
185.05977	1.6
186.06755	3.0
187.07498	1.2
193.04965	48.9
194.05342	1.6
197.05974	10.3
201.05429	1.8
201.09129	4.4
205.98726	3.2
211.06004	22.5
211.07864	2.3
214.06229	1.7
229.04922	2.6
229.06897	4.4
229.08749	12.3
229.12082	1.4
229.13136	1.6
229.15457	22.8
230.08769	1.7
242.08682	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36330	1.6
53.03943	18.3
55.01867	8.6
55.05509	45.8
57.03437	49.6
57.07059	2.5
58.55283	1.6
61.02915	4.9
65.03924	2.9
67.05500	15.5
68.99764	2.1
69.03427	100.0
69.07077	12.7
69.57167	8.4
70.06588	9.5
71.01374	7.8
71.04993	36.3
73.02918	18.7
79.05511	9.1
81.03417	36.6
81.07059	9.0
83.04984	24.4
85.02905	51.8
85.03422	2.9
85.06544	36.6
87.04452	5.6
88.06465	1.5
91.05486	17.4
93.03405	1.7
93.07049	14.7
95.04938	9.8
95.08595	4.1
96.18260	1.6
97.02885	25.5
97.06532	9.7
99.04447	18.2
101.00859	4.1
105.07030	4.6
107.08615	3.5
109.02874	10.8
109.06532	7.7
109.10120	2.5
111.04449	14.5
111.08089	3.7
115.03906	4.1
117.07009	6.1
119.01910	9.5
119.08577	4.0
121.06454	8.7
123.08037	6.1
125.06028	1.9
127.03914	43.9
129.05469	17.1
133.06471	2.5
135.08063	4.0
137.02988	1.7
137.05957	2.0
137.09634	2.2
139.07550	3.2
142.08641	7.3
143.19632	1.6
144.99838	2.1
145.04953	10.6
147.08022	5.4
151.07507	2.9
158.99922	1.7
163.07523	2.4
163.97636	1.8
177.00963	4.6
183.14940	2.6
187.04657	3.0
193.08510	2.2
203.02580	2.3
212.07845	1.9
229.10721	8.0
229.15459	22.2
247.01486	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1223
Annotation	Bisphenol A
Peak:m/z	Relative Intensity
51.25235	0.5
53.03952	4.7
53.47238	0.6
55.01843	0.7
55.05499	1.5
65.03938	0.6
67.05484	1.9
67.62714	0.5
69.03429	25.4
69.50700	1.7
69.51109	1.5
70.19598	0.5
79.05476	2.2
81.07037	0.8
83.04980	3.1
91.05465	7.0
93.03384	1.6
93.07037	8.6
95.04972	2.8
98.23334	0.7
105.07042	6.8
107.04951	1.4
107.08609	0.9
109.02879	17.7
109.06510	1.3
109.10138	0.8
115.05433	2.0
117.06997	2.5
119.04910	0.7
119.08583	8.6
119.20800	0.6
121.06511	10.4
121.10155	0.6
122.07290	0.7
128.06233	3.0
129.06999	5.6
130.07799	1.4
131.08572	13.2
133.06467	0.7
133.09213	0.8
133.10136	10.3
135.08022	1.3
141.06984	2.3
142.07779	3.5
143.08562	14.0
144.09341	5.9
145.06479	4.7
145.10124	12.1
147.07976	0.9
153.06998	2.9
154.07733	1.1
155.08553	5.8
156.09311	1.5
157.06485	1.4
157.10074	3.2
158.07297	2.6
158.10922	14.5
159.08041	9.8
159.11691	11.1
160.07523	0.9
160.08803	0.6
161.09641	1.1
167.08546	1.5
168.09355	4.9
169.10133	2.2
170.10931	8.0
171.08046	8.7
171.11671	1.1
172.08829	9.7
173.06003	1.2
173.09627	47.9
173.13252	41.9
174.13585	1.1
175.07535	2.2
178.07779	0.8
181.06520	3.4
181.10048	0.8
183.11710	10.0
185.09612	2.6
185.13216	2.5
186.10397	28.8
187.07639	4.1
187.11176	74.8
188.08229	0.7
188.11371	2.7
189.09085	1.1
193.10155	1.9
195.08083	0.9
196.08830	6.8
199.07559	3.2
201.12741	59.0
202.13066	1.7
211.11179	13.2
213.09108	0.8
214.09908	5.8
229.04938	2.1
229.12238	100.0
230.12624	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1224
Annotation	Bisphenol A
Peak:m/z	Relative Intensity
51.02372	0.5
53.03712	0.4
53.03950	5.4
55.01871	0.8
55.05502	2.1
55.81566	0.4
57.03433	0.4
65.03938	0.9
67.05503	4.6
69.03432	26.5
69.07072	0.8
71.30167	0.5
77.03918	0.6
79.05486	2.3
81.03397	0.4
81.07056	2.3
83.04968	3.2
83.46455	0.3
91.05481	8.3
93.03432	1.7
93.07051	7.9
95.04944	2.3
95.08648	0.9
97.02879	0.5
103.05451	0.9
105.04487	0.4
105.07036	6.9
107.04949	0.9
107.07923	0.3
107.08595	1.6
109.02882	17.4
109.06477	1.0
109.10155	2.9
115.05454	1.5
116.06242	1.0
117.07027	2.6
119.08592	9.4
121.05634	0.5
121.06505	9.5
121.10144	1.4
123.08085	0.4
125.01540	0.5
128.06215	3.2
129.07014	5.9
130.07764	1.6
131.08571	17.0
133.06485	0.9
133.10139	9.9
133.11067	0.2
135.08047	1.5
141.06998	2.7
142.07790	3.7
143.08563	15.1
144.05684	0.9
144.09351	5.7
145.06503	3.8
145.10124	10.6
146.07150	0.4
147.08020	0.9
150.08272	0.4
153.06985	3.6
154.07750	0.9
155.06058	0.4
155.08560	7.7
156.09348	1.4
157.06479	1.5
157.10141	3.5
158.07281	2.6
158.10912	16.4
159.08069	10.2
159.11697	11.6
160.08736	0.5
160.12062	0.4
161.06027	0.4
161.09602	1.3
165.07028	0.7
166.07768	0.5
167.08565	1.3
168.09337	5.4
169.10143	2.1
170.10909	8.1
171.08046	8.7
171.11646	1.3
172.08847	10.0
173.09630	44.4
173.13254	44.3
174.09982	1.3
174.13588	1.6
175.07547	2.1
178.07747	0.9
181.06477	2.8
181.10155	0.7
183.08154	0.5
183.11714	10.2
184.11989	0.4
185.09596	2.0
185.13232	1.8
186.10413	27.5
187.07663	4.0
187.11183	75.7
188.08249	0.4
188.11554	2.5
189.09142	0.9
193.10156	1.9
195.08023	1.3
196.08829	7.6
197.09267	0.4
199.07564	2.7
201.12744	60.3
202.13107	1.6
211.11195	13.8
213.09225	0.4
214.09903	6.1
229.12241	100.0
230.12624	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
52.83432	4.9
55.01865	10.1
55.05502	15.5
57.03425	18.4
57.07051	5.1
67.05507	100.0
69.03402	5.9
69.07056	17.4
69.32700	4.4
71.04992	9.1
79.05493	22.6
81.03359	5.1
81.07063	65.2
83.08613	6.5
85.06519	8.5
88.02224	4.3
91.05476	41.7
93.07056	23.3
95.04942	7.5
95.08591	27.5
96.29189	4.2
97.06532	14.0
105.07031	41.6
107.08579	15.7
109.06521	8.9
109.10156	75.6
111.08096	6.8
117.07024	8.0
119.08580	50.7
121.10126	19.9
123.11703	25.7
128.06194	5.2
129.07002	14.2
131.07622	4.5
131.08542	24.9
133.10085	14.9
141.07033	6.0
142.07787	8.5
143.08600	9.3
145.10100	25.5
147.11676	88.0
155.08528	12.6
155.10632	5.5
156.26079	5.6
157.10132	20.3
158.10875	6.3
159.11676	16.5
165.12740	31.1
169.10081	14.5
173.09625	9.4
173.11687	23.4
173.13272	17.6
175.11192	21.4
187.11214	11.6
187.14877	5.4
201.09128	6.5
201.12769	13.1
211.11256	6.4
229.10208	10.1
229.12181	36.7
229.14346	81.4
229.19495	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83432	4.9
55.01865	10.1
55.05502	15.5
57.03425	18.4
57.07051	5.1
67.05507	100.0
69.03402	5.9
69.07056	17.4
69.32700	4.4
71.04992	9.1
79.05493	22.6
81.03359	5.1
81.07063	65.2
83.08613	6.5
85.06519	8.5
88.02224	4.3
91.05476	41.7
93.07056	23.3
95.04942	7.5
95.08591	27.5
96.29189	4.2
97.06532	14.0
105.07031	41.6
107.08579	15.7
109.06521	8.9
109.10156	75.6
111.08096	6.8
117.07024	8.0
119.08580	50.7
121.10126	19.9
123.11703	25.7
128.06194	5.2
129.07002	14.2
131.07622	4.5
131.08542	24.9
133.10085	14.9
141.07033	6.0
142.07787	8.5
143.08600	9.3
145.10100	25.5
147.11676	88.0
155.08528	12.6
155.10632	5.5
156.26079	5.6
157.10132	20.3
158.10875	6.3
159.11676	16.5
165.12740	31.1
169.10081	14.5
173.09625	9.4
173.11687	23.4
173.13272	17.6
175.11192	21.4
187.11214	11.6
187.14877	5.4
201.09128	6.5
201.12769	13.1
211.11256	6.4
229.10208	10.1
229.12181	36.7
229.14346	81.4
229.19495	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1548
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01884	0.7
57.03437	0.2
57.22709	0.2
58.06312	0.3
58.06605	6.2
59.07383	1.6
60.08170	8.6
68.05034	1.5
69.63776	0.3
69.64169	0.4
70.06596	43.4
71.06928	0.5
72.08189	0.5
76.27911	0.2
90.69278	0.2
95.06120	0.2
96.08128	1.9
98.06059	0.7
98.23238	0.2
101.00890	1.7
114.05534	4.8
114.09174	2.3
116.07085	1.3
119.01931	3.3
119.02774	0.2
124.07593	3.9
126.09179	0.8
131.01898	0.4
133.03448	0.2
137.02977	0.4
142.08640	36.4
143.09003	0.4
144.99904	0.3
145.03430	0.4
168.99847	0.3
170.08110	1.6
183.07745	0.3
187.00912	0.6
187.04501	0.2
205.01846	0.3
214.29591	0.2
215.00369	0.6
229.15477	100.0
230.15846	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.4
56.96568	0.7
58.06315	0.3
58.06605	5.8
58.99852	0.3
59.07383	1.3
60.08171	8.0
67.05544	0.2
68.05025	1.1
69.28244	0.2
70.06599	36.9
70.99874	0.4
71.06907	0.3
71.29928	0.4
72.08182	0.5
82.99863	0.5
84.08143	0.3
94.06519	0.2
96.08127	1.8
98.06077	0.8
98.97593	1.0
101.00895	6.7
103.00668	0.3
112.70152	0.2
113.00890	0.3
114.05542	3.4
114.09177	2.3
116.07091	1.1
116.98637	0.7
119.01933	14.7
120.02036	0.9
121.01685	0.4
124.07603	3.4
126.09171	0.8
126.98799	0.8
131.01917	1.0
132.10159	0.2
133.03490	0.7
134.99780	0.2
137.02969	2.1
142.08650	33.9
143.01863	0.4
143.09036	0.4
144.99831	1.5
145.03433	0.4
149.03018	0.3
151.04430	0.2
158.99890	0.3
161.02980	0.7
163.02762	0.2
168.99879	1.1
170.08159	2.0
172.99345	0.2
173.03058	0.3
175.04440	0.2
177.00972	2.1
177.02373	0.3
178.01074	0.2
181.03517	0.2
185.06398	0.2
187.00925	3.6
187.04495	0.4
191.04048	0.3
196.99307	0.5
201.02444	0.2
203.02510	1.0
205.02019	1.3
215.00369	2.4
219.02010	0.5
221.05089	0.3
229.15491	100.0
230.15826	2.7
247.01483	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.8
55.05504	15.6
57.03424	3.8
57.07067	9.9
58.72440	4.0
67.05505	31.4
69.00938	30.9
69.03432	5.8
69.07053	17.3
71.04984	11.6
79.05489	17.1
81.07052	64.0
83.04987	6.3
83.08606	9.0
85.02919	4.1
85.06544	46.2
89.28780	3.3
91.05478	21.2
93.07050	55.0
95.04955	7.1
95.08605	99.1
97.06544	6.6
99.04462	12.6
99.08058	6.8
105.07022	41.3
107.08596	100.0
109.06537	3.6
109.10152	31.7
111.08095	5.8
111.11675	3.1
119.08580	66.3
120.08920	3.4
121.10144	31.0
123.11705	13.7
125.09637	14.2
131.08632	4.4
133.10124	49.6
135.11699	52.0
137.09616	17.8
141.07033	3.4
145.06453	4.4
147.11688	10.3
149.13242	5.4
151.11229	4.2
155.04961	4.6
155.08632	6.6
155.10661	91.7
159.08105	4.8
163.14822	89.3
173.05977	24.2
175.14850	60.8
181.15855	8.3
183.08031	12.9
186.06834	4.4
193.15895	29.5
199.16948	6.2
200.04681	47.7
201.05492	21.7
201.09064	8.2
211.07584	10.3
211.16966	13.0
229.04945	3.8
229.08553	45.2
229.12262	9.2
229.15712	4.4
237.92575	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1797
Annotation	Sarmentol D
Peak:m/z	Relative Intensity
50.83830	2.0
55.01888	1.8
55.05511	9.5
57.03432	5.0
57.07063	5.9
67.05503	10.6
69.03424	3.9
69.07076	9.9
70.06569	2.1
70.16653	3.7
70.17055	3.9
71.04995	13.4
75.04460	2.8
79.05492	7.3
81.07057	36.0
83.04974	2.5
83.08607	2.9
85.06533	7.7
91.05496	9.3
93.07039	20.9
94.15699	1.6
95.04986	2.4
95.08606	34.7
97.02898	3.0
97.06527	4.7
99.04444	3.0
99.08097	3.5
105.07032	24.4
107.08597	25.1
109.06531	2.9
109.10154	20.3
111.08069	3.0
113.09663	3.2
115.07578	4.4
117.06976	2.8
119.07777	2.8
119.08582	30.8
121.06498	1.9
121.10146	62.9
123.08095	4.3
123.11706	100.0
125.09644	3.2
128.06157	2.1
131.08592	3.2
133.10143	26.0
135.11696	26.5
137.09631	3.3
137.13257	12.4
141.06995	3.0
143.08546	3.8
145.06418	2.6
145.10118	6.3
147.11690	8.0
149.13261	6.1
153.06970	2.3
155.08597	6.1
155.10663	7.5
159.08041	4.7
163.14816	16.7
169.10083	2.0
173.05992	8.5
173.09602	3.6
175.13422	3.1
175.14833	40.1
181.06551	2.5
183.07957	2.8
189.12764	7.3
193.15884	22.0
200.04694	21.2
201.05492	10.0
201.09093	3.9
201.12733	4.5
211.07605	3.9
211.11305	3.0
211.16914	24.9
229.08582	21.4
229.12181	16.7
229.15782	4.1
229.17993	13.5
230.15439	7.9
231.49503	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82076	4.1
55.05516	19.7
57.03458	4.1
57.07080	10.2
59.05011	4.5
65.03933	4.4
67.05506	43.7
69.03440	8.7
69.07074	30.0
70.06580	7.5
70.86488	7.9
71.05007	8.7
79.05505	15.9
79.32438	4.4
81.03437	5.3
81.07057	39.7
83.04978	7.4
83.08646	9.9
85.02931	10.4
85.06558	17.6
91.05472	23.6
93.07057	21.0
95.08613	53.8
97.02879	6.0
97.06528	8.3
99.08096	70.1
105.07040	22.3
107.04972	7.4
107.08587	43.4
109.06541	13.5
109.10161	100.0
109.10918	6.2
111.08105	12.3
115.05458	9.2
117.07020	7.6
118.52211	3.8
119.04958	7.6
119.08587	38.1
121.10157	36.2
123.08096	12.7
123.11713	34.0
128.06242	14.0
129.07018	13.6
131.08615	12.7
133.10139	49.6
135.11702	48.7
137.09598	26.9
137.13286	5.8
139.11208	5.1
141.07004	27.1
142.07802	6.2
143.08559	15.2
145.06511	8.0
145.10159	7.3
147.11682	7.1
149.13248	8.7
151.11160	11.2
151.14870	7.4
153.07022	9.8
153.12805	4.3
154.07793	4.0
155.08530	26.6
157.06522	5.8
157.10124	4.1
159.08069	11.2
165.07018	12.4
165.16377	35.2
168.05728	4.5
168.09399	6.8
169.06497	17.6
169.10118	7.1
171.08060	11.6
173.06047	17.0
173.09592	4.9
175.14801	49.1
181.06476	5.7
183.07990	10.9
183.09338	38.5
183.11646	18.4
185.09595	11.7
186.10240	4.1
187.07550	22.6
187.11230	9.2
193.10216	3.9
193.15900	83.5
196.08917	6.5
197.04486	4.8
200.04716	37.1
200.08330	3.9
201.05496	12.8
201.09174	10.8
201.12723	7.4
211.07521	9.1
211.11195	13.5
211.16936	15.3
229.04982	5.7
229.08676	35.7
229.09828	15.4
229.11952	46.3
229.15807	4.5
229.17966	10.0
230.09268	50.0
235.27887	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.8
55.05504	15.6
57.03424	3.8
57.07067	9.9
58.72440	4.0
67.05505	31.4
69.00938	30.9
69.03432	5.8
69.07053	17.3
71.04984	11.6
79.05489	17.1
81.07052	64.0
83.04987	6.3
83.08606	9.0
85.02919	4.1
85.06544	46.2
89.28780	3.3
91.05478	21.2
93.07050	55.0
95.04955	7.1
95.08605	99.1
97.06544	6.6
99.04462	12.6
99.08058	6.8
105.07022	41.3
107.08596	100.0
109.06537	3.6
109.10152	31.7
111.08095	5.8
111.11675	3.1
119.08580	66.3
120.08920	3.4
121.10144	31.0
123.11705	13.7
125.09637	14.2
131.08632	4.4
133.10124	49.6
135.11699	52.0
137.09616	17.8
141.07033	3.4
145.06453	4.4
147.11688	10.3
149.13242	5.4
151.11229	4.2
155.04961	4.6
155.08632	6.6
155.10661	91.7
159.08105	4.8
163.14822	89.3
173.05977	24.2
175.14850	60.8
181.15855	8.3
183.08031	12.9
186.06834	4.4
193.15895	29.5
199.16948	6.2
200.04681	47.7
201.05492	21.7
201.09064	8.2
211.07584	10.3
211.16966	13.0
229.04945	3.8
229.08553	45.2
229.12262	9.2
229.15712	4.4
237.92575	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9902
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98875	6.5
60.49871	7.3
61.40248	7.2
69.61282	34.1
70.06587	36.6
71.06932	18.7
79.26020	8.2
84.04497	9.5
84.08146	34.3
84.85641	6.2
94.75413	6.2
101.00883	26.0
103.00648	49.6
119.01911	40.9
121.01656	100.0
135.03238	14.1
142.08676	25.7
143.01846	9.8
143.09007	15.5
144.95332	7.5
146.99590	12.0
161.03050	16.2
170.99599	12.8
172.09682	30.1
189.00710	28.3
207.01788	13.3
217.00261	13.5
230.15785	61.8
231.16029	39.4
232.11858	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9902
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98875	6.5
60.49871	7.3
61.40248	7.2
69.61282	34.1
70.06587	36.6
71.06932	18.7
79.26020	8.2
84.04497	9.5
84.08146	34.3
84.85641	6.2
94.75413	6.2
101.00883	26.0
103.00648	49.6
119.01911	40.9
121.01656	100.0
135.03238	14.1
142.08676	25.7
143.01846	9.8
143.09007	15.5
144.95332	7.5
146.99590	12.0
161.03050	16.2
170.99599	12.8
172.09682	30.1
189.00710	28.3
207.01788	13.3
217.00261	13.5
230.15785	61.8
231.16029	39.4
232.11858	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1702
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
55.05510	10.9
57.05811	1.3
67.22007	0.4
69.03412	0.5
70.06590	0.7
71.30386	0.4
72.08152	100.0
73.08486	0.6
75.37980	0.4
79.05520	0.3
81.07076	0.5
83.18182	0.3
86.09704	5.5
91.05482	0.8
93.07082	0.5
98.97562	0.8
111.04444	0.4
116.98586	0.6
119.04945	0.4
121.06516	0.4
129.06989	0.7
130.06500	0.9
131.08554	0.5
132.10194	3.8
133.10188	0.4
134.06082	0.6
143.08557	0.8
146.06024	0.6
147.04500	0.3
152.46751	0.4
157.06485	0.9
157.07668	1.3
158.05991	0.5
160.07585	1.1
170.06070	1.1
175.07628	0.5
185.05840	0.5
185.07143	6.7
185.13235	0.7
185.16437	0.9
186.05510	0.7
187.08711	1.7
189.05524	0.4
189.12762	0.5
203.06969	0.6
213.06795	0.5
214.04935	0.6
231.07826	11.2
231.11465	0.4
231.13846	1.5
231.17113	2.6
232.08017	0.6
250.14247	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.9
55.01880	2.7
55.05508	22.1
57.07074	7.1
67.05508	24.4
69.03121	2.5
69.03430	13.0
69.07058	17.4
69.60247	2.5
70.40629	8.4
79.05507	15.8
79.22078	2.2
81.03436	5.2
81.07059	61.7
81.07521	3.2
83.08621	21.0
85.02902	3.7
85.06550	34.1
91.05482	20.7
93.07042	43.2
95.08607	89.9
95.46558	2.3
97.02923	3.0
97.06552	3.6
97.10191	10.2
99.08108	8.6
105.03394	5.9
105.07038	18.7
107.08600	51.9
109.10159	51.2
111.08100	3.4
111.11780	3.2
117.07060	9.7
119.08624	9.8
121.10152	71.8
121.82743	2.3
123.04491	3.4
123.11713	21.1
125.09692	6.7
125.75983	2.3
128.06262	6.9
129.07050	8.8
131.07716	2.5
131.08519	12.4
133.06535	4.2
133.10158	6.3
135.08057	2.9
135.11688	19.7
137.06009	3.9
137.13286	5.7
139.11159	3.1
141.06996	4.6
143.08583	18.2
145.06535	9.4
145.10146	13.1
147.08087	4.7
149.13336	8.8
153.01837	17.6
155.08551	2.6
156.09373	4.3
157.10194	10.7
159.11736	4.8
161.09657	5.7
165.16391	16.8
171.08121	5.7
171.11691	6.1
173.09685	6.9
175.07617	7.6
175.14732	3.0
177.16383	100.0
178.16704	2.7
183.17494	5.7
185.13251	18.2
189.09146	7.5
189.12799	5.0
195.17439	29.6
203.10677	4.6
203.14388	7.1
213.05399	2.8
213.12813	11.7
231.06561	10.6
231.10016	13.1
231.13805	45.9
231.19565	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
55.05505	8.6
58.81239	1.9
67.05504	19.9
69.07073	15.7
70.32299	6.6
79.05508	12.3
79.15788	1.8
81.07060	50.7
83.08609	5.9
88.31210	2.4
91.05492	10.5
93.07053	30.8
95.08611	49.7
97.10204	4.5
105.07037	27.2
107.08585	34.2
109.10156	38.5
114.13807	1.9
119.08565	21.5
121.10142	40.4
123.11717	32.2
133.10132	13.8
135.11687	25.6
137.13301	9.3
145.10060	2.1
147.11667	12.3
149.13266	15.4
153.36650	1.8
161.13246	33.5
163.14821	2.7
171.11736	2.3
173.13458	2.7
173.14880	1.8
175.14818	34.5
189.16365	4.5
231.13809	3.0
231.21082	100.0
232.21507	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.05506	7.5
57.07059	2.9
58.92038	1.0
59.19750	1.1
65.94855	1.0
67.05507	18.8
69.07071	16.2
69.19817	9.0
79.05492	9.9
81.07058	35.2
83.08626	8.1
90.41632	1.1
91.05486	9.4
93.07045	29.3
95.04979	1.2
95.08609	45.4
97.10179	2.3
98.22621	1.8
98.23280	2.5
105.07037	21.1
107.08599	36.0
109.10157	34.4
119.07758	1.8
119.08575	20.0
121.10145	39.9
122.10446	1.3
123.11708	28.3
131.08495	1.2
133.10130	17.4
135.11696	26.2
137.13243	7.0
143.08588	1.4
145.10107	2.8
147.11694	14.7
147.41364	1.1
149.13260	22.8
155.85078	1.0
157.10115	1.5
161.09526	1.1
161.13266	27.7
163.14816	2.6
171.11720	1.6
173.13280	1.2
175.14827	32.7
176.15422	0.9
185.13129	1.1
187.14880	2.0
189.16371	7.8
202.22054	1.1
203.17918	2.5
213.16388	1.2
225.49608	0.9
231.17412	4.5
231.21074	100.0
232.21422	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70742	1.1
53.78626	1.0
56.96557	1.9
66.54223	1.1
67.05450	1.1
69.07061	2.1
70.06606	6.0
71.06889	1.2
71.36099	1.1
71.36600	2.0
72.08167	1.5
81.07078	1.1
82.99821	1.1
84.08121	3.5
85.02905	11.4
86.09707	51.6
97.06528	4.1
97.07713	1.3
98.06030	1.2
98.97531	1.3
101.00879	14.7
110.50401	1.2
115.02477	1.4
118.03508	3.5
119.01924	44.9
120.02020	3.8
121.01641	1.4
130.03488	1.2
131.01845	2.8
133.03484	2.2
137.02963	13.7
138.03011	1.3
158.62442	1.3
161.03020	6.2
162.03058	1.3
171.10936	1.3
172.04482	2.0
173.03011	3.2
173.08025	2.5
186.04417	1.4
186.09767	36.2
186.11426	2.1
187.10068	1.9
190.02585	1.5
190.94902	1.6
191.04182	6.6
196.08012	1.6
200.08562	2.8
204.10835	14.1
208.95918	4.0
214.09244	36.4
215.07750	3.0
215.09708	2.5
225.07466	1.4
232.10286	100.0
232.16579	3.6
232.79028	1.2
233.08441	1.5
233.10529	5.5
250.01442	1.5
250.96930	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1542
Annotation	Butyryl-L-carnitine
Peak:m/z	Relative Intensity
56.83111	0.2
56.92057	0.2
57.03435	1.7
58.06608	0.7
59.07379	0.2
59.60508	0.2
60.08162	8.0
67.05495	0.3
70.44469	0.4
71.04992	1.8
72.08149	0.3
79.05480	0.3
84.08160	0.6
85.02902	100.0
86.03230	0.7
89.06028	0.2
91.05490	0.2
105.07024	0.3
113.05955	0.2
116.07077	0.2
119.08562	0.3
121.05513	0.2
131.08551	0.3
131.97389	0.2
144.10182	2.1
145.10100	0.4
153.44841	0.2
159.11676	0.3
169.10060	0.2
172.07550	0.3
173.08089	8.3
173.13194	0.2
174.12607	0.2
186.09065	0.2
187.07408	0.3
187.14758	0.3
232.13560	0.7
232.15395	17.6
233.15524	0.8
248.66104	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20289	10.0
59.21292	10.0
61.16870	9.6
65.69092	8.9
69.85760	23.8
69.86176	32.0
70.06605	49.3
72.08144	10.1
72.32021	10.3
84.08155	25.5
98.22676	17.2
101.00867	58.3
112.07604	27.9
116.96538	10.8
119.01928	70.5
133.03426	17.6
143.01917	34.8
145.03487	27.3
157.03473	15.5
160.36311	10.2
161.02942	100.0
173.03043	26.9
175.04417	11.2
191.02434	10.6
191.04042	45.8
193.80453	9.5
233.06548	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0808
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
51.02393	0.5
53.03950	0.5
54.29694	0.3
55.01872	2.3
55.05510	2.2
57.03426	0.6
59.04993	0.4
61.02924	0.5
63.02361	0.4
65.03931	0.3
67.05503	0.6
68.99784	0.3
69.03427	0.6
69.07072	0.5
69.21873	0.7
69.22282	1.3
71.01355	5.6
71.04995	0.4
79.05495	1.6
81.03445	0.3
81.07070	1.5
83.01392	0.3
83.04985	0.3
85.02920	0.4
85.62114	0.3
89.20127	0.2
91.05482	7.2
93.07040	1.2
95.04963	0.7
95.08615	1.0
97.06535	0.6
103.05476	4.2
105.03378	0.4
105.07042	4.0
107.04960	0.8
107.08587	1.6
109.06552	0.4
109.10123	0.4
115.05452	13.6
116.06232	1.0
117.07018	25.3
118.07365	0.5
119.04942	1.8
119.08578	2.7
121.06500	1.0
121.10149	0.9
122.46287	0.3
123.08066	0.5
127.05449	1.0
128.06201	3.7
129.07013	6.6
130.07771	0.3
131.04930	4.4
131.08563	4.0
132.05687	0.3
133.06473	1.9
133.10110	1.3
135.08047	6.7
136.06189	3.7
137.05972	1.2
137.09578	0.3
141.06992	8.8
142.07721	0.3
142.18390	0.2
143.04941	2.5
143.08577	1.8
144.05702	33.2
145.06483	80.3
145.10127	2.9
146.06818	1.7
147.04379	0.4
147.08057	3.2
147.11708	0.6
149.05977	0.4
149.09625	0.7
151.03860	0.3
152.06215	0.6
153.06999	3.8
154.07765	1.0
155.04893	1.3
155.06036	8.3
155.08603	0.6
156.09366	0.6
157.06491	6.4
157.10164	1.4
158.07243	0.6
159.04424	0.7
159.08057	2.7
159.11682	2.4
160.05203	1.6
160.08893	0.3
161.06015	2.0
161.09583	1.0
163.07559	0.9
163.11186	0.5
165.05505	0.3
167.08540	0.6
168.05704	1.2
169.06483	6.5
169.10110	2.4
171.04385	1.9
171.05637	0.4
171.08066	1.0
172.05176	0.5
172.08865	0.5
173.05980	100.0
173.09601	2.6
173.13231	1.5
174.06342	2.4
174.10350	0.3
175.07581	1.5
175.11201	1.8
177.09134	0.8
179.08522	1.3
182.07324	0.4
183.04410	0.5
185.05965	2.4
185.09627	0.7
186.06448	0.3
187.07550	3.1
187.11133	2.6
187.14795	1.7
189.05496	0.4
189.09142	0.4
189.12714	0.4
190.13516	0.4
191.07014	1.0
191.10664	0.5
191.14279	0.7
197.05989	1.3
197.09637	3.7
197.13293	0.8
201.05362	0.5
203.07027	12.0
203.08936	0.6
205.08528	0.3
205.12286	0.3
205.15942	0.4
215.07092	3.0
215.10674	6.0
215.14200	2.2
233.08095	21.9
233.11589	7.3
233.15291	6.6
234.08330	0.7
234.13509	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1172
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03930	0.5
53.57621	0.2
55.01865	0.6
55.05508	0.6
57.03446	0.2
65.03929	0.5
67.05499	1.6
68.99776	0.3
69.03428	3.9
69.07057	0.8
70.63629	0.3
70.63949	0.2
71.04988	0.2
77.03933	0.3
79.05493	3.5
81.07053	2.1
81.08095	0.2
83.04959	1.0
91.05475	6.5
93.07055	2.6
95.04974	1.2
95.08606	1.4
97.06523	3.2
103.05476	0.4
103.87978	0.2
105.04435	0.2
105.07027	5.9
107.04960	0.5
107.08614	2.1
108.05725	0.3
109.05872	0.2
109.06509	1.4
109.10183	0.5
111.04418	0.9
111.08068	0.3
115.05428	2.0
116.06213	0.4
117.07015	3.8
119.04934	0.3
119.06097	0.3
119.08582	10.4
120.08926	0.2
121.06490	2.8
121.10139	0.8
123.04449	0.3
123.08061	2.5
124.05241	0.2
128.06203	2.1
129.07002	4.3
130.07780	1.8
131.04918	0.3
131.08565	6.5
132.08905	0.2
133.06473	0.8
133.10130	1.5
135.08051	100.0
136.08394	2.7
137.05978	2.0
138.06689	0.3
139.07539	1.2
141.06985	3.3
142.07724	0.7
143.08542	2.4
144.05652	0.6
144.09358	4.4
145.06468	3.0
145.10121	6.9
146.07228	0.8
147.08043	2.9
147.11684	1.0
149.06030	0.5
149.09616	0.5
151.07550	3.1
152.06247	0.2
153.06973	0.7
154.07787	2.1
155.06046	0.3
155.08527	2.8
156.09348	8.5
157.06494	3.2
157.10179	1.3
158.07269	6.6
159.08060	7.0
159.11690	19.2
160.05219	0.9
160.08751	0.8
160.12018	0.7
161.05978	1.3
161.09615	2.7
161.13196	0.5
163.07539	0.7
163.11150	0.4
167.08585	0.5
169.07733	0.3
169.10127	4.7
170.10869	1.6
171.08044	1.1
171.11684	2.9
172.08827	19.8
173.09615	34.0
173.13242	0.9
174.06702	0.4
174.10255	1.5
175.07562	1.5
175.11122	1.3
177.09103	1.0
182.07309	0.7
182.10957	0.2
186.10439	0.3
187.11179	39.5
188.11502	1.6
189.09076	0.8
189.12744	3.3
191.10663	2.8
191.14276	0.3
197.09581	2.1
197.13277	0.6
200.08311	0.8
205.12228	1.2
205.15865	0.2
212.13303	0.2
215.07117	0.8
215.10674	18.5
215.14264	1.8
216.11079	0.6
233.08009	0.6
233.11737	15.3
233.15282	4.3
234.12091	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1171
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03956	2.9
54.51820	1.8
55.01881	10.6
55.05505	5.7
59.05005	4.9
62.75623	1.8
67.05484	5.3
70.10523	4.1
70.10923	4.6
77.03840	2.2
79.05495	8.8
81.07058	3.2
83.04967	5.5
91.05476	29.3
93.07034	11.8
95.04970	7.0
95.08615	3.6
103.05460	5.4
105.07026	47.8
107.04956	5.2
107.08590	5.0
115.05430	12.1
116.06276	2.7
117.07009	45.4
119.08582	18.2
121.06491	6.1
121.10117	3.9
123.08035	2.3
128.06224	37.5
129.07008	58.1
129.97502	2.0
130.07799	17.2
131.04930	7.7
131.08562	37.8
133.06502	9.4
133.10156	7.9
135.04454	3.8
135.08025	3.4
141.06969	23.3
142.07782	8.9
143.08554	77.6
144.09348	10.3
145.06488	14.4
145.10126	88.3
146.10562	2.8
147.08026	11.0
149.05888	2.8
150.17648	2.2
151.07558	2.5
153.07033	6.9
154.07770	23.5
155.04950	2.4
155.06116	5.2
155.08556	18.7
156.09357	21.0
157.06517	3.0
157.10124	4.9
158.07249	4.9
158.10930	2.6
159.08073	8.9
159.11687	45.9
161.05840	2.3
161.09631	7.7
161.13202	2.5
167.08563	3.2
169.10118	40.0
170.11006	2.2
171.08055	15.2
171.11679	23.5
172.08849	3.5
173.06055	5.2
173.09612	23.5
177.05463	3.6
177.09038	3.3
179.08640	6.2
182.07237	2.2
187.11176	65.6
188.92393	2.2
189.09099	30.5
189.12755	23.9
190.07774	9.0
191.07027	2.2
191.08601	5.0
191.10710	8.4
197.09625	21.0
202.07822	7.4
203.08560	39.8
204.09216	6.8
205.10147	12.8
205.12276	7.6
215.08708	5.3
215.10664	100.0
217.10039	14.6
218.07510	10.5
218.10861	52.2
219.07961	3.1
219.11490	5.8
232.12215	3.1
233.09552	34.0
233.11473	23.1
233.13544	90.1
234.10306	4.0
234.13751	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1172
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
51.02373	0.5
51.36022	0.4
51.58359	0.4
53.03942	0.6
53.85728	0.4
55.01864	1.3
55.05512	2.4
55.44634	0.4
57.03427	1.4
57.07079	0.7
59.04989	0.6
63.53305	0.4
65.02246	0.4
65.03951	0.6
66.11573	0.5
67.05509	3.8
69.03434	5.4
69.07057	3.2
70.80087	0.8
71.04980	1.7
79.05492	6.9
81.07054	5.3
83.04984	2.3
85.06506	0.6
91.05475	10.2
93.07044	6.1
95.04971	3.4
95.08613	4.3
96.08097	0.7
97.06528	6.7
103.05455	1.8
105.07029	12.1
105.17896	0.4
107.04942	2.4
107.08580	5.3
108.08148	0.6
109.06503	3.8
109.10127	1.6
111.04465	1.6
115.05463	2.7
116.06271	0.9
117.07029	6.1
119.04974	1.3
119.08579	15.0
121.06503	5.3
121.10152	1.6
123.04454	1.4
123.08057	3.9
128.06213	2.4
129.06998	6.5
130.07787	2.0
131.04930	1.6
131.08559	12.3
133.06482	2.0
133.10143	3.7
135.08047	100.0
136.06178	13.0
136.08359	2.3
137.05962	5.0
137.09593	1.4
139.07515	2.0
141.06985	4.8
142.07777	2.0
143.08545	4.9
144.05763	0.9
144.09354	4.8
145.06491	3.7
145.10118	11.8
146.07227	1.4
147.04416	1.0
147.08043	5.0
147.11667	3.6
149.05974	3.5
149.09668	2.2
151.07547	3.5
153.06978	1.0
154.07732	2.6
155.08505	2.9
156.08171	0.8
156.09335	9.1
157.06494	3.3
157.10120	4.3
158.07237	5.7
158.10857	0.6
159.04428	1.2
159.08063	9.1
159.11676	22.7
160.05226	0.8
160.08752	1.3
160.11119	0.5
161.05966	2.2
161.09641	4.1
161.13214	0.9
163.07541	2.0
163.11159	1.5
164.07079	2.7
167.07170	0.6
167.08510	0.5
169.10136	5.2
170.10835	1.3
171.08061	1.5
171.11696	3.3
172.08832	18.3
173.05957	1.4
173.09612	25.3
173.13226	5.0
174.06758	1.3
174.10249	1.4
175.07533	4.7
175.11186	6.8
177.05565	0.9
177.09094	2.8
177.12668	0.7
178.12280	1.1
182.07309	0.6
182.10883	0.7
187.03918	0.6
187.07570	1.9
187.11169	39.8
187.14772	5.5
188.11526	1.4
189.05534	0.6
189.09117	3.8
189.12695	3.4
191.07045	0.9
191.10663	2.0
191.14297	1.0
197.09593	2.1
197.13254	1.6
199.11296	0.7
200.08267	0.7
203.07048	1.3
205.08577	0.9
205.12178	2.1
205.15933	1.5
215.07074	1.3
215.10670	20.3
215.14169	6.9
216.10999	0.8
217.12282	2.4
233.04370	0.6
233.08093	2.9
233.11728	19.9
233.15376	20.9
233.18910	0.8
234.13326	6.3
234.15556	0.7
234.18466	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1172
Annotation	Drupanin
Peak:m/z	Relative Intensity
51.19687	1.1
53.03942	1.3
55.05510	2.8
57.68009	1.1
59.04987	1.7
65.03925	1.8
67.05498	3.7
69.03121	1.4
69.03432	11.4
69.07072	2.8
69.48415	3.8
69.48822	1.7
70.62810	0.9
71.04999	2.0
73.02921	1.8
79.05496	8.1
81.07047	4.7
83.04968	3.0
87.04472	9.0
91.05478	13.4
93.07051	5.9
95.04960	2.5
95.08605	3.8
97.06535	5.4
103.05424	1.5
105.07030	20.0
107.04973	3.2
107.08601	8.1
109.06501	2.2
109.10157	1.5
111.04417	3.7
115.05473	2.5
117.07039	7.2
119.08595	14.7
121.06489	7.8
121.10174	2.5
123.08053	14.8
128.06195	2.8
129.07008	10.7
130.07771	3.4
131.08560	14.2
133.06483	1.7
133.10135	6.1
135.04405	1.4
135.08049	82.8
136.06168	8.1
136.08337	1.5
137.05974	2.9
137.09656	1.4
141.07007	5.0
141.59766	1.0
142.07785	2.1
143.08548	5.1
144.05679	2.5
144.09349	7.0
145.06482	6.4
145.10117	15.2
146.07269	1.8
147.08063	16.9
147.11685	4.0
149.05980	3.5
149.09621	3.7
151.07535	16.0
153.06958	2.6
154.07774	3.1
155.08551	4.3
156.09319	4.6
157.06523	3.8
157.10152	3.5
158.07245	9.9
159.04364	1.4
159.08054	16.5
159.11678	23.9
160.08797	1.1
161.05989	2.0
161.09653	6.2
161.13297	1.6
163.07536	1.3
163.11133	1.9
169.10138	6.6
171.11714	2.3
172.08823	30.8
173.09612	100.0
173.13077	6.5
174.06741	3.3
174.10248	5.0
175.07515	2.6
175.11171	3.5
177.09120	4.3
182.10875	1.5
187.07503	1.8
187.11183	29.5
187.14696	5.4
189.12721	5.7
191.07030	2.4
191.10675	3.0
191.14258	1.4
197.09598	3.7
197.13249	3.5
200.08357	1.3
203.06989	7.4
205.08661	1.2
215.10690	21.6
215.14156	7.1
233.08167	8.1
233.11725	14.8
233.15324	20.6
234.13509	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1172
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
50.05685	2.8
50.65782	2.4
51.54176	2.7
53.03956	4.3
55.01872	6.5
55.05507	10.7
57.03418	3.0
57.07052	3.1
59.04999	3.0
61.41394	2.3
65.44985	2.5
67.05496	11.7
69.03421	5.2
69.07078	5.4
69.78287	2.7
70.16660	10.8
71.04984	2.9
79.05495	21.9
81.07062	16.1
83.04987	23.1
91.05480	43.9
93.07030	25.2
95.01284	2.6
95.04965	8.7
95.08608	10.0
103.05470	10.4
105.07034	72.5
107.04948	5.9
107.08605	18.3
109.06516	11.5
109.10165	5.0
115.05421	10.6
117.07021	48.5
119.04935	3.7
119.08569	29.9
121.06510	9.3
121.10158	6.6
123.08048	6.5
128.06229	39.3
129.07010	49.8
130.07813	21.1
131.04921	7.3
131.08580	47.7
133.06447	13.0
133.10132	18.4
135.04433	3.7
135.08029	5.4
141.06995	20.0
142.07790	10.3
143.08566	71.5
144.09354	19.2
145.06485	21.9
145.10120	98.2
146.07315	3.5
147.08086	14.3
147.11655	10.9
149.05974	6.4
149.09625	7.3
153.06984	3.2
154.07774	19.4
155.06039	3.7
155.08546	15.9
156.09319	13.8
157.06508	4.7
157.10150	13.4
158.07257	7.0
159.08130	13.4
159.11703	57.8
161.09598	9.9
161.13237	5.5
163.07549	4.1
163.11198	3.4
169.10143	40.4
171.08058	16.3
171.11711	17.0
172.08861	5.3
173.05928	4.1
173.09630	43.3
173.13274	11.5
175.11194	12.4
177.09120	4.5
179.08551	6.1
182.07150	5.6
187.11185	66.9
187.14798	7.3
189.07187	4.9
189.09096	34.0
189.10756	3.9
189.12724	25.5
190.07813	6.6
191.08623	4.7
191.10677	12.2
191.14322	10.8
192.09309	3.5
197.09633	18.7
197.13257	7.1
202.07785	6.6
203.08545	51.1
204.09247	10.2
205.10091	13.0
205.12233	9.3
215.08630	5.1
215.10669	81.4
215.14104	16.7
216.11046	3.8
217.10101	15.4
218.07312	11.0
218.10895	53.0
219.07913	4.6
219.11626	4.2
233.09538	37.9
233.11432	21.0
233.13219	100.0
233.15399	75.0
233.19022	7.2
234.13821	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03936	2.0
55.01871	0.9
55.05500	2.5
56.62561	0.6
57.07072	0.8
58.54588	0.7
58.79179	0.7
67.01861	3.0
67.05238	0.7
67.05509	9.0
69.03432	4.7
69.07069	9.5
69.30672	1.7
69.31077	3.4
74.36876	0.7
79.05493	9.8
81.07057	14.9
85.06581	0.7
91.05485	10.2
93.07046	9.9
95.04972	2.8
95.08607	24.3
97.06554	2.9
103.05509	1.3
105.06361	0.6
105.07027	15.2
106.96071	0.7
107.04948	1.4
107.08598	15.0
108.09370	1.7
109.06520	8.6
109.10153	1.9
115.05495	1.8
117.07025	7.3
119.08566	10.6
121.06467	4.8
121.10133	2.2
123.08086	2.0
125.05972	1.6
127.07568	1.5
128.06218	1.4
129.07022	2.8
130.07800	2.1
131.08563	13.0
133.10107	4.0
135.08060	4.0
141.06987	2.5
142.07768	2.4
143.08575	6.3
144.09267	1.1
145.06456	2.0
145.09006	1.3
145.10121	21.1
147.08005	1.2
147.11678	2.1
149.09714	0.8
151.07523	1.6
153.06923	1.0
155.08568	7.4
156.09335	2.7
157.10138	4.9
158.10922	1.4
159.08063	4.5
159.11678	5.9
161.13263	1.3
163.07590	0.9
167.08545	3.5
168.09340	1.4
169.10104	5.4
171.11681	11.3
172.12471	1.3
173.09586	4.5
173.13197	4.4
175.11182	1.2
177.05455	1.2
177.09007	1.1
182.10941	6.8
185.09608	1.2
187.11156	1.7
187.14812	17.6
191.10689	1.6
191.14337	1.1
197.13252	19.0
205.06531	0.9
215.14311	15.8
233.06058	1.5
233.09695	1.7
233.11592	2.5
233.15358	100.0
234.06622	1.0
234.15726	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
51.06932	2.0
53.03943	4.5
53.19565	1.8
55.05504	9.4
57.07065	3.9
59.04984	3.1
63.10431	2.1
65.03930	2.4
67.05240	1.6
67.05506	17.4
69.03416	2.5
69.07050	8.9
71.04972	3.4
71.32962	3.7
79.05481	12.8
81.07065	22.6
83.04977	12.3
91.04970	2.2
91.05473	27.8
93.07051	36.4
95.04935	7.8
95.08605	61.3
97.06520	2.4
99.04448	4.2
105.06386	2.5
105.07030	43.8
107.07939	2.8
107.08595	32.7
109.06495	6.3
109.10121	2.6
111.04424	8.4
111.08065	12.2
116.06228	3.6
117.07007	17.7
119.08584	66.3
121.06468	5.8
121.10133	26.4
123.08069	4.5
123.11695	3.8
125.05928	4.1
129.06960	6.8
130.07758	4.0
131.08572	44.9
133.09224	3.4
133.10133	37.2
134.10933	25.6
135.08008	4.3
135.10799	2.5
135.11705	36.4
136.46744	2.1
137.05962	2.6
139.07487	6.6
141.06931	2.4
143.08574	10.3
143.66721	2.2
144.09326	10.4
145.06429	3.6
145.09033	3.5
145.10129	58.3
147.08076	5.4
147.11682	14.6
149.05954	2.9
149.09604	3.8
149.13139	2.3
155.08511	3.1
157.10147	11.3
158.07198	4.4
158.10864	8.5
159.08080	11.5
159.11684	100.0
160.12154	3.8
161.09550	3.2
161.13269	4.9
163.07494	4.3
171.11636	5.7
172.08754	2.8
172.12428	6.0
173.09631	15.2
173.13269	26.7
175.11099	5.2
177.05394	4.6
177.09045	8.4
178.06213	5.5
182.11046	3.3
186.10361	6.6
187.11247	10.0
187.14818	63.0
189.12830	3.6
191.10591	8.2
191.14258	4.6
197.13269	9.8
200.11911	3.3
201.16307	2.5
203.08537	10.2
204.09338	3.4
205.06401	2.0
205.10103	2.8
215.14323	32.4
217.10239	4.3
218.10965	11.5
233.09401	6.5
233.13173	30.8
233.15312	95.0
233.18970	5.8
234.13612	2.5
234.15802	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	alantolactone
Peak:m/z	Relative Intensity
53.03941	1.2
55.01873	0.7
55.05511	5.7
57.03443	3.5
57.07071	1.0
65.03926	0.8
67.05508	8.3
68.91644	0.6
69.03429	5.7
69.07064	6.3
70.59288	1.2
71.04985	0.9
77.06821	0.6
79.05492	8.4
81.07053	11.4
83.04974	2.8
83.08616	2.0
85.02909	3.1
85.06555	0.8
91.05484	11.1
93.06466	0.9
93.07048	16.6
95.04974	2.3
95.08604	15.8
96.53336	0.5
97.06549	2.6
97.10176	2.5
99.08076	2.1
103.05441	0.9
105.07030	15.2
107.05003	1.0
107.08595	18.5
109.06534	3.8
109.10155	4.9
111.08088	2.1
113.05985	0.6
115.05425	1.3
117.07042	4.2
119.04881	0.6
119.08578	9.6
121.06502	4.3
121.09299	0.8
121.10138	10.9
123.08090	5.0
123.11666	0.9
125.05978	5.5
125.09608	1.0
128.06137	0.8
129.06992	2.4
130.07750	0.9
131.08565	7.6
133.06500	0.8
133.10123	4.2
135.08055	12.3
135.11714	3.3
137.05940	0.9
137.09605	1.4
139.07558	1.3
141.06992	0.8
142.07733	0.9
143.08591	1.6
144.09326	1.1
145.06444	1.1
145.10115	16.4
147.08081	1.0
147.11691	6.5
148.05096	0.6
149.06017	0.9
149.09642	6.0
149.13280	1.5
151.07544	2.7
151.11151	0.6
155.08568	1.6
156.09364	0.7
157.10175	1.9
158.07304	0.6
158.10898	0.8
159.08041	2.8
159.11694	5.7
161.05966	3.1
161.09644	1.9
161.13255	0.7
162.06746	0.8
163.07564	6.9
163.11205	3.5
163.14819	1.3
167.08655	0.7
169.10136	0.7
171.11598	0.6
172.12491	0.6
173.09628	2.9
173.13275	2.9
175.07465	0.7
175.11235	3.3
176.08295	2.3
177.09114	5.0
177.12737	1.4
177.16383	3.1
185.09544	0.6
187.14821	7.5
189.09167	2.0
189.12698	0.6
190.09749	0.6
191.10669	18.3
191.14267	2.4
197.13174	1.4
203.08646	0.6
203.10806	0.6
204.11417	1.4
205.06451	0.7
205.15872	7.2
205.17700	0.9
215.14342	3.3
233.05971	1.3
233.15358	100.0
234.15689	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
50.74239	1.1
53.03942	2.6
55.01876	2.3
55.05513	5.5
56.98184	1.0
57.03442	1.0
57.07075	5.0
59.04993	2.6
63.22869	1.1
65.03925	1.8
67.05503	11.6
69.03426	7.5
69.07069	8.1
70.44762	2.4
71.04977	3.0
72.88563	0.9
79.05488	14.5
81.07056	13.8
83.04978	6.9
83.08601	1.0
85.06548	7.4
91.05478	25.8
91.93642	1.1
93.07037	24.1
95.04968	10.0
95.08610	10.6
97.02886	1.2
97.06534	6.7
105.07030	33.6
107.04942	3.5
107.08598	27.1
109.06536	5.1
109.10154	8.1
111.04466	1.0
111.08083	7.6
113.06007	4.1
115.05431	2.9
116.06238	1.4
117.07027	9.9
119.04954	1.6
119.06010	1.1
119.08580	22.4
119.09438	1.5
121.06507	8.3
121.10140	25.3
121.11011	1.3
122.07284	4.3
123.04417	1.1
123.08068	6.0
123.11674	2.2
125.05972	1.1
125.09615	1.9
127.07539	3.2
128.06207	1.3
129.07005	5.5
130.07777	3.6
131.04976	1.2
131.08569	39.5
133.06483	3.5
133.10132	17.0
134.10880	3.5
135.08043	11.4
135.11688	4.2
136.08839	1.1
137.05968	4.7
137.09621	23.6
139.07536	2.5
141.07016	2.2
142.07776	1.6
143.08582	5.5
144.05682	1.3
144.09271	1.8
145.06450	3.0
145.10118	57.9
146.10872	4.3
147.08031	6.0
147.11688	7.2
148.54314	1.1
149.06039	2.1
149.09613	44.4
149.13243	1.3
151.11163	3.4
153.09109	5.8
155.08559	2.5
156.09364	2.0
157.10121	6.2
158.07306	1.0
158.10902	3.5
159.08101	7.9
159.11703	16.1
160.08778	2.2
161.05951	3.2
161.09590	4.1
163.07536	3.9
163.11180	6.3
163.14807	1.3
171.11685	3.6
172.12469	2.4
173.09648	7.4
173.13271	17.0
175.11189	10.8
177.09132	7.9
177.12715	1.1
182.10988	1.2
187.11163	2.6
187.14812	19.6
189.09103	1.6
189.12715	4.4
191.07018	1.2
191.10660	2.3
191.14349	5.4
197.13289	3.7
200.11914	1.8
203.06981	2.5
205.12256	2.2
205.15811	5.2
215.10831	1.3
215.14305	17.4
233.08061	2.9
233.11609	3.1
233.15355	100.0
234.15706	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03935	4.3
55.01856	1.7
55.05509	9.2
57.03429	3.2
57.07079	2.6
59.04990	1.6
62.93446	1.6
65.03937	2.2
67.05503	16.8
69.03417	4.9
69.07073	13.8
69.61513	5.5
71.04987	11.0
77.03941	2.2
79.05482	23.1
81.03371	1.8
81.07052	41.1
83.04990	3.3
83.08617	3.3
85.06545	3.0
91.05479	47.1
92.06292	1.7
93.06467	2.7
93.07045	46.6
94.29672	1.6
95.04956	10.9
95.08606	30.7
96.85543	1.6
97.06522	14.6
99.04458	2.7
103.05481	2.7
105.07029	70.9
107.04942	5.8
107.08597	31.7
109.06511	7.5
109.10134	8.4
111.08055	3.5
113.06023	2.1
115.05447	4.7
116.06293	2.0
117.07015	20.0
119.04909	4.5
119.08580	100.0
121.06527	8.7
121.10143	31.4
123.04446	1.7
123.08050	5.9
123.11765	2.0
125.06007	3.0
127.07505	2.6
128.06248	3.6
129.06982	8.5
130.07751	5.6
131.04955	3.0
131.08571	50.3
133.06487	3.0
133.10132	45.7
134.10909	33.7
135.08055	7.9
135.11688	8.1
137.05974	29.4
137.09613	5.3
139.07558	5.5
141.06979	2.7
142.07744	2.4
143.08536	7.6
144.09355	4.2
145.06444	6.1
145.10117	59.9
145.11264	3.4
147.08057	7.6
147.11665	10.5
149.02330	2.1
149.05965	4.0
149.09639	5.5
149.13191	2.3
155.08557	3.8
156.09380	1.9
157.10112	8.5
158.07184	2.0
158.10960	3.9
159.08109	8.1
159.11684	56.9
161.09698	2.9
161.13168	2.9
163.03870	2.0
163.07515	3.2
163.11230	3.2
165.09171	3.4
167.03389	3.8
171.11699	8.1
172.12442	2.1
173.09644	13.6
173.13249	43.0
174.06805	1.8
175.11171	5.5
176.04799	1.9
177.05476	2.6
177.09126	6.7
177.16397	2.5
182.10933	2.8
187.11169	6.7
187.14830	51.9
188.15096	2.2
189.09187	3.6
189.12729	1.6
191.03352	4.5
191.10696	4.1
191.14377	3.8
197.13345	8.0
205.08611	2.7
205.15872	7.5
215.03244	2.2
215.10881	7.7
215.14291	34.2
215.17807	2.1
223.73259	1.8
233.04459	2.5
233.08022	6.2
233.11664	6.9
233.15356	98.8
234.15768	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03934	4.2
55.05519	9.3
57.07059	3.3
59.40045	1.3
65.03912	2.0
67.05507	14.0
69.03415	3.5
69.07069	9.4
69.45969	7.0
71.04996	3.6
72.98421	1.4
77.03913	1.2
79.05489	22.4
81.03416	4.7
81.07055	28.5
83.04973	3.9
83.08613	2.3
84.27924	1.4
91.05476	36.5
93.06462	2.1
93.07047	32.9
95.04962	5.0
95.08609	27.1
97.06507	4.7
97.96724	1.2
98.22713	2.1
103.05480	2.2
105.07032	50.1
107.04931	3.7
107.08592	22.0
107.66818	1.2
108.08896	1.6
109.06507	9.1
109.10154	15.2
111.04429	2.4
111.08072	8.1
115.05434	3.7
116.06244	2.1
117.07003	18.5
119.08582	33.5
121.06498	8.4
121.10136	14.7
123.08078	8.0
123.11694	4.1
125.05980	3.0
125.09620	1.3
129.07013	4.5
130.07771	3.3
131.04951	2.2
131.08568	56.0
133.06497	2.7
133.10106	17.4
134.10921	1.9
135.04402	4.5
135.08025	10.9
135.11652	9.9
137.05972	2.1
137.09625	1.6
139.07565	2.4
142.07793	4.8
143.08566	7.7
144.09268	1.5
145.06454	6.0
145.10124	54.2
147.08067	10.2
147.11682	30.8
149.05984	2.7
149.09590	12.2
149.13297	3.5
151.11137	1.5
155.08574	3.7
156.09323	1.5
157.10083	11.5
158.07251	2.1
158.10864	3.0
159.08069	7.8
159.11685	28.8
160.08989	1.5
161.09615	4.9
161.13245	3.7
163.07532	5.3
163.11189	4.1
169.10101	3.5
171.11705	4.1
172.08826	1.3
172.12479	2.5
173.05969	1.5
173.09656	14.0
173.13277	10.8
175.11188	12.8
175.14836	2.0
177.09102	10.0
177.12750	1.8
177.16441	2.7
182.10924	2.5
185.13335	2.0
187.11217	4.1
187.14824	54.5
188.15201	1.9
189.12866	2.0
189.16370	1.6
191.10669	5.3
191.14296	3.3
197.13239	8.1
203.07011	2.3
203.14275	2.1
205.08543	2.1
205.15886	16.2
215.10841	1.7
215.14294	42.4
233.07878	6.5
233.15355	100.0
234.15672	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03928	1.8
55.05504	6.1
57.07078	2.5
59.04996	2.0
65.03957	1.6
67.05511	12.5
69.03418	3.3
69.07071	10.0
71.04981	2.9
79.05485	15.9
81.06592	1.4
81.07060	25.2
83.04990	3.5
83.08611	3.0
85.06552	3.0
89.39991	1.4
91.05486	25.3
93.07053	24.1
95.04971	4.5
95.08609	21.7
97.06513	3.4
97.10184	1.7
102.86251	1.3
103.05416	1.5
105.07034	44.6
107.04942	3.3
107.08602	25.3
109.06537	4.0
109.10159	12.4
111.04423	2.3
111.08099	4.5
117.07018	15.1
119.08593	32.7
121.06509	8.8
121.10178	11.8
123.08062	5.2
123.11721	3.2
125.05972	2.2
128.06256	2.2
129.06975	5.0
130.07776	3.3
131.08575	43.2
133.06505	1.7
133.08429	1.5
133.10139	19.1
134.10858	2.5
135.04408	5.2
135.08087	8.6
135.11649	4.4
137.06010	2.5
137.09592	2.8
139.07561	2.2
142.07758	2.8
143.08534	6.1
144.09235	2.0
145.06464	3.0
145.09001	2.5
145.10136	45.3
146.09279	1.7
147.08067	6.1
147.11696	15.3
149.05977	2.4
149.09624	8.6
149.13185	1.6
151.07556	4.3
151.11148	2.1
155.08623	3.5
157.10094	6.2
158.10793	1.6
159.08058	8.9
159.11714	24.4
161.09657	2.4
161.13210	5.1
163.07532	6.3
163.11188	5.1
163.14755	1.6
165.09042	2.1
169.10126	2.8
171.11662	4.1
173.09648	9.1
173.13251	15.5
174.12762	5.4
175.11180	12.5
175.13129	25.1
177.09116	20.9
182.10989	2.3
187.11290	2.2
187.14830	64.3
188.14943	2.1
189.12741	1.9
191.09003	1.5
191.10687	6.8
191.14319	6.1
197.13275	9.0
205.08583	1.9
205.12482	1.4
205.15900	9.5
215.14333	35.9
233.05927	2.4
233.07907	1.9
233.11629	2.9
233.15353	100.0
234.15733	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	Hypacrone
Peak:m/z	Relative Intensity
52.64590	0.5
53.03946	3.1
55.01860	0.6
55.05510	5.0
59.04991	0.9
65.23493	0.6
67.05505	3.9
68.29959	0.5
69.03423	5.8
69.07055	2.6
71.04980	2.5
77.03928	0.7
79.05491	53.8
81.03415	0.7
81.07060	7.4
83.04978	2.3
83.08619	6.2
85.06553	1.2
87.04440	0.5
91.05483	6.8
93.07046	7.4
95.04971	4.5
95.08601	3.3
97.06535	1.8
98.22565	1.3
99.04459	2.2
100.80541	0.5
105.04517	1.8
105.07034	12.2
107.04953	55.1
107.08595	11.7
109.06517	3.9
109.10151	3.5
111.04421	0.8
111.08089	5.7
115.05472	0.6
116.06236	1.1
117.07011	3.5
119.08585	11.8
121.06524	3.0
121.10151	7.3
123.08087	3.8
123.11691	1.0
125.06038	0.8
125.09600	2.5
128.06194	0.7
129.06995	2.1
130.07767	1.0
131.08559	9.8
133.06461	0.7
133.10132	9.7
134.10793	0.6
135.08073	3.1
135.11678	1.2
137.09561	0.6
139.07579	0.6
142.07787	1.6
143.08571	3.2
145.06462	0.9
145.10112	10.7
147.08038	2.6
147.11684	10.5
149.09619	7.5
149.13261	3.6
150.10405	0.7
151.11153	1.9
154.07782	0.7
155.08531	0.9
156.09279	1.0
157.10117	5.6
158.10860	2.1
159.08061	2.2
159.11703	3.8
160.08818	1.8
161.09618	1.6
163.07582	1.1
163.11136	1.6
163.14890	0.6
169.10103	1.6
171.11673	2.7
172.12570	0.8
173.09627	2.9
173.11890	0.9
173.13258	12.1
175.11188	14.4
177.09097	2.1
182.10893	1.3
187.11194	1.7
187.14816	2.7
189.09041	0.7
189.12717	2.0
191.14304	63.7
192.14606	1.4
197.13263	2.0
203.08525	1.9
205.10179	0.7
205.15811	1.0
215.10745	0.9
215.14310	5.9
217.10110	1.0
218.07385	0.8
218.10802	2.5
229.02510	0.8
233.09483	1.8
233.13335	5.7
233.15346	100.0
234.15727	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
52.26558	0.4
53.03949	1.4
53.19933	0.3
54.91931	0.3
55.01870	0.5
55.05509	2.8
57.03434	0.5
57.07082	0.6
59.04987	0.6
65.03945	0.7
67.05506	4.9
69.03416	2.5
69.07069	3.3
69.12749	2.4
69.13151	0.7
71.04989	1.5
77.03894	0.7
79.05494	9.1
81.07059	14.5
83.04985	1.3
83.08620	0.5
85.06552	0.9
87.04465	0.7
91.05479	18.6
92.06264	2.4
93.07043	19.7
95.04971	3.6
95.08604	10.1
97.06531	3.9
98.23347	0.6
99.04481	1.0
103.05468	0.7
105.07030	22.6
106.07858	2.2
107.04937	0.7
107.08591	12.1
109.06496	3.0
109.10166	1.8
111.08075	2.1
113.06033	0.7
115.05477	1.2
116.06235	0.9
117.07017	5.8
119.04940	1.2
119.08578	100.0
120.08916	1.3
121.06506	3.0
121.10143	17.5
123.08073	3.5
123.11704	0.6
125.06013	0.7
125.09614	0.6
128.06210	0.5
129.06999	2.3
130.07796	1.2
131.04857	0.5
131.08565	12.2
133.06506	0.8
133.10126	23.4
134.10910	29.7
135.04367	0.4
135.08055	4.3
135.11736	3.1
137.05984	3.5
137.09637	1.4
139.07521	1.4
141.06943	0.5
142.07808	1.0
143.08566	2.1
144.09361	1.2
145.06468	1.5
145.10123	14.7
146.10571	0.4
147.08038	1.6
147.11682	3.1
149.09595	2.0
149.13373	0.5
151.07477	0.5
155.08560	1.5
156.09253	0.9
157.10121	3.6
158.07278	1.0
158.10872	1.0
159.08105	3.3
159.11694	17.9
160.12364	0.7
161.09622	1.0
161.13264	1.3
163.07527	0.9
163.11156	1.6
165.09006	0.4
167.08594	0.7
169.10097	1.1
171.11679	1.0
172.08871	0.6
173.09633	6.1
173.13263	4.4
174.10054	0.4
175.11125	2.3
177.09100	2.7
177.12724	0.8
177.16472	0.5
182.10901	1.8
185.09599	0.4
187.11305	1.8
187.14819	14.9
188.11687	0.4
188.15210	0.6
189.09174	0.4
189.12717	1.1
189.16461	0.6
191.10732	0.9
191.14322	1.0
197.13252	4.2
205.15871	2.7
215.10780	0.8
215.14311	12.5
216.14600	0.5
233.08046	1.1
233.11607	1.8
233.15352	42.3
234.15727	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
55.01868	1.3
55.05511	4.2
56.05028	1.0
57.07064	2.1
59.04996	5.4
65.11075	0.8
67.05508	7.3
69.03432	16.5
69.07070	11.5
71.04980	3.6
79.05480	9.9
79.73097	1.0
81.07047	18.8
83.04964	1.3
83.08611	1.9
87.04453	3.6
87.41057	0.8
88.07623	2.7
91.05473	15.2
93.03331	0.9
93.07039	22.6
95.04958	6.4
95.08616	14.0
97.06534	8.4
105.07029	24.4
105.86333	0.9
107.08590	21.8
107.09727	0.8
109.06505	4.2
109.10156	6.2
111.08076	3.4
112.59452	0.8
115.05424	1.9
117.07043	5.4
119.08582	44.6
120.08880	1.2
121.06503	12.8
121.10143	20.3
122.08203	1.0
123.04427	2.6
123.08076	5.4
123.11694	1.9
125.09593	1.4
128.06213	1.1
129.06981	2.2
130.07771	2.5
131.08563	16.7
133.06517	1.2
133.10136	12.7
134.10910	7.6
135.08067	6.1
135.11714	6.3
137.05946	3.1
137.09637	2.0
142.07698	1.1
143.08569	3.2
144.09286	1.1
145.06471	2.7
145.10127	24.1
147.08061	3.0
147.11685	6.7
149.09631	5.9
149.13235	2.1
155.08556	5.7
157.10153	3.9
158.07288	2.2
158.10947	1.6
159.08098	7.1
159.11687	15.2
160.08812	1.2
161.09619	1.3
161.13255	2.7
163.07526	0.9
163.11162	8.0
163.14807	1.2
167.08633	1.2
169.10091	2.7
171.11740	2.3
173.06027	1.7
173.09570	11.6
173.10716	0.9
173.13222	6.8
175.11192	3.1
177.09140	2.0
177.12735	1.5
177.16360	8.5
182.10939	1.8
186.18532	6.5
187.11234	1.5
187.14815	18.9
187.16380	1.7
189.12735	2.9
189.16449	1.1
191.07021	5.0
191.10661	2.3
197.13260	12.4
205.15913	9.6
215.10699	1.1
215.14313	23.4
215.17667	1.5
218.23611	0.8
233.11978	6.4
233.15361	100.0
233.18703	4.9
234.15717	3.1
234.20697	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03935	1.2
55.05513	5.2
57.07069	1.5
58.75504	0.6
65.03912	0.8
65.90460	0.5
67.05505	3.5
69.03423	1.3
69.04655	4.6
69.05070	1.5
69.07068	5.4
71.04990	3.2
79.02378	0.6
79.05488	5.3
81.07065	6.3
83.04982	39.6
85.06525	0.8
91.05485	11.8
93.07042	7.7
95.04957	1.9
95.08602	5.6
97.06530	1.4
98.58828	0.6
99.04449	1.3
103.05471	1.3
105.07034	21.1
107.04931	1.7
107.08592	6.5
109.06531	7.6
109.10161	4.1
111.04417	0.8
111.08087	0.8
111.11716	1.1
116.06248	1.0
117.07021	4.8
119.08572	16.9
121.06500	3.9
121.10145	4.7
123.04510	0.6
123.08074	2.0
123.11680	1.2
125.05976	1.9
128.06221	0.7
129.07025	2.4
130.07790	2.6
131.04936	0.6
131.08578	13.5
133.06487	4.6
133.09210	0.8
133.10146	8.3
135.04398	3.7
135.08086	3.2
135.11688	2.4
137.06000	0.7
137.09637	1.4
141.37848	0.7
142.07788	1.7
143.08574	3.2
144.09297	0.9
145.06461	1.8
145.10121	27.0
147.08031	2.5
147.10608	1.3
147.11685	13.9
148.12411	1.2
149.05984	3.6
149.09607	3.7
151.07616	0.6
151.11221	1.0
155.08548	1.5
156.09296	0.9
157.10168	3.7
157.11241	0.7
158.10802	0.7
159.08015	3.2
159.11703	4.3
160.08786	0.9
161.09564	1.3
161.13286	1.5
163.07526	3.5
163.11218	3.8
163.14821	0.8
165.09102	1.5
171.11736	2.0
172.12396	1.3
173.09637	6.9
173.13275	7.1
175.11191	9.4
177.09135	6.2
182.10881	1.2
187.14841	8.7
189.12749	4.4
189.16411	1.0
191.10687	4.8
191.14275	5.1
197.13255	2.3
205.12259	0.8
205.15804	1.0
215.14301	9.8
233.15356	100.0
234.15764	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
52.16886	0.4
53.03949	0.6
55.05508	1.3
56.05030	0.8
57.07080	0.5
65.03931	0.6
67.05511	2.9
69.03411	0.5
69.07072	1.4
69.13002	3.2
69.62359	0.4
71.04993	0.8
78.04681	0.5
79.05490	6.0
81.03414	0.4
81.07058	13.2
83.04965	0.8
83.08614	0.6
88.07627	0.9
91.05479	14.7
92.05775	0.4
92.06255	2.1
93.07045	17.4
94.62928	0.4
95.04973	1.4
95.08601	7.9
97.06525	1.0
98.23341	0.8
99.04451	0.5
103.05463	0.6
105.07028	15.2
106.07814	2.5
107.08591	8.7
107.80900	0.4
109.06535	1.3
109.10167	1.1
111.04452	0.5
111.08089	2.0
113.35154	0.4
115.05445	0.6
116.06264	0.6
117.07018	4.0
119.08578	100.0
120.08913	1.8
121.06514	1.2
121.10141	14.9
123.08083	0.9
125.09594	0.7
128.06232	0.6
129.06993	0.8
130.07764	0.8
131.08571	8.8
133.06473	0.5
133.10126	17.7
134.10910	30.3
135.08072	1.7
135.11647	1.7
137.06000	0.4
137.09642	0.7
139.07520	0.9
142.07779	0.5
143.08578	1.6
145.06496	0.8
145.10123	9.2
147.08087	0.9
147.11678	2.5
149.05923	0.5
153.09140	0.8
155.08595	0.9
157.10124	1.5
158.07161	0.4
159.08054	1.5
159.11688	13.5
161.09598	0.9
163.07492	0.7
169.10179	0.5
171.11734	0.7
172.12474	0.5
173.09586	2.9
173.13232	2.5
175.11186	2.0
177.09161	2.0
182.10957	1.0
186.18521	1.5
187.11218	0.8
187.14807	11.0
188.30261	0.4
191.03386	0.5
191.10634	1.1
197.13242	2.1
205.15915	1.0
215.14313	5.4
215.17688	0.5
218.10822	0.4
233.13412	1.1
233.15355	30.9
233.19104	1.5
234.15744	0.7
234.20628	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.9979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77305	4.5
70.85547	4.4
71.27828	8.8
84.08134	9.9
85.02882	6.3
88.07642	8.5
94.92999	4.9
101.00897	37.3
103.00678	7.6
104.10725	4.7
115.37138	5.0
118.08718	5.4
119.01917	62.1
119.92599	6.7
121.01678	17.3
133.03447	9.2
137.03003	7.8
143.01852	7.0
145.01666	11.3
145.03506	26.2
154.04747	9.5
157.03447	24.5
161.03020	18.2
163.02641	24.5
175.04541	13.8
187.04550	8.0
202.02083	5.5
211.06725	7.9
234.17978	7.1
234.99782	48.6
235.06586	100.0
235.12764	6.4
236.14926	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1328
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
53.03947	5.1
55.01872	2.6
55.05515	7.2
55.70294	1.1
57.07085	6.2
59.04989	1.4
60.51608	0.9
60.82673	1.2
64.30025	1.1
66.21716	1.0
67.05511	10.7
69.03431	19.8
69.07072	7.2
69.34940	0.9
71.04996	13.4
71.29508	1.6
79.05495	15.9
81.03410	1.6
81.07063	20.3
83.04996	5.6
83.08612	2.1
85.06570	2.2
91.05479	34.7
93.07044	19.2
95.04968	9.1
95.08604	16.7
97.06545	5.3
98.97624	1.3
99.04449	8.8
99.08102	2.0
103.05492	3.4
104.06302	1.4
105.07030	44.0
107.04935	1.9
107.08601	21.8
108.81732	1.1
109.02876	19.1
109.06518	6.5
109.10165	6.2
110.07211	1.1
111.04446	9.1
111.08062	5.4
115.05446	5.7
116.06211	5.4
117.07023	11.4
119.04955	2.7
119.08579	51.1
119.85268	1.1
121.06500	8.8
121.08372	1.3
121.10126	8.2
123.08067	13.6
123.11743	1.4
125.05943	1.2
125.09657	2.4
127.07608	1.3
128.06261	8.0
129.07011	23.2
130.07806	1.7
131.04927	2.7
131.08568	100.0
132.05818	1.4
132.08871	1.6
133.06491	4.9
133.10133	21.5
135.08052	14.9
135.11716	4.2
136.08832	6.2
137.05994	2.6
137.09619	10.7
137.10446	1.2
139.07549	1.3
141.06981	6.1
141.09113	1.4
142.07785	7.5
143.08571	23.8
144.05701	2.6
144.09348	5.1
145.06499	6.8
145.10123	23.9
146.07234	1.2
147.04424	4.1
147.08044	42.2
147.09178	2.4
147.11681	25.1
149.06064	1.1
149.09615	5.9
149.13286	2.4
150.44072	1.1
151.07561	1.9
151.11186	2.5
153.09108	1.1
155.08525	1.8
156.09341	22.1
157.06462	7.3
157.10121	18.3
158.10939	10.2
159.08055	11.8
159.11696	17.0
160.05197	2.4
160.08788	3.7
161.05992	12.2
161.09621	9.4
161.13246	26.8
161.14554	1.7
162.06801	1.6
163.07581	3.3
163.11153	1.9
165.09122	2.2
165.12758	1.8
169.06569	1.5
171.08124	3.2
171.11688	27.7
171.13075	2.0
172.05324	1.6
172.12239	1.1
173.06026	2.8
173.09647	5.3
173.13257	20.8
174.06810	3.4
174.10463	5.9
175.07567	19.1
175.11169	21.3
175.14828	8.0
177.09096	8.2
177.12798	4.8
179.10663	5.1
184.08824	2.1
184.12492	1.3
185.05891	1.8
187.07530	14.9
189.05548	1.3
189.09178	5.1
189.11015	2.0
189.12744	39.1
189.16307	6.1
190.06276	2.8
190.13069	1.6
191.07060	4.4
193.12210	1.6
193.15932	2.9
199.07607	3.8
199.11115	10.8
199.14815	18.1
202.09891	3.1
203.07040	1.6
205.08630	3.3
207.10211	2.1
217.08720	6.7
217.12236	22.3
217.15845	20.0
235.07527	1.8
235.09662	17.5
235.13329	30.0
235.16962	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1329
Annotation	Dehydrooreadone
Peak:m/z	Relative Intensity
50.00528	0.3
50.38875	0.3
51.02366	0.3
51.72772	0.3
53.03952	0.4
53.31644	0.3
55.01862	0.5
55.05514	1.8
55.31073	0.3
57.07074	0.9
59.04974	0.5
63.32527	0.3
65.03928	0.4
66.76832	0.3
67.05499	3.1
68.12698	0.3
69.03408	1.4
69.07066	2.7
71.04992	2.2
71.30167	0.5
79.05497	3.3
81.07056	6.3
83.04976	1.1
83.08589	0.7
85.06535	1.1
91.05472	4.3
93.07056	5.2
95.04960	1.2
95.08604	4.6
95.58349	0.3
97.02910	0.3
97.06500	1.1
99.04441	0.7
99.07994	0.4
103.05466	1.1
105.07030	8.4
107.04953	0.9
107.08596	6.5
109.06524	4.4
109.10133	2.4
111.08067	0.9
113.05968	0.7
115.05457	2.1
117.07030	3.8
118.04163	0.8
119.08586	7.5
121.06493	2.0
121.10146	3.4
123.04402	0.8
123.08069	2.6
123.11653	0.8
125.09626	1.0
127.07523	0.4
128.06224	8.8
129.07034	2.2
130.07797	0.7
131.04921	2.1
131.08592	2.8
132.09331	0.7
133.06496	9.8
133.10132	5.6
135.08025	1.3
135.11678	2.0
137.05959	0.7
137.09610	1.4
139.07527	0.4
141.06966	0.7
142.07788	2.0
143.04861	0.5
143.08559	25.9
144.05714	0.5
144.09171	1.3
145.06491	6.4
145.10112	7.5
146.03604	0.7
146.07224	1.5
147.04427	0.5
147.08046	3.0
147.11687	3.6
149.05977	0.4
149.09648	1.9
149.13214	0.7
151.07539	0.5
151.11168	0.7
152.04686	0.4
153.09079	0.3
155.06027	0.5
155.08603	0.4
157.06500	0.9
157.10150	3.0
158.07274	0.7
159.04419	4.2
159.08109	2.3
159.11673	5.1
160.05174	1.5
160.08842	9.9
161.05983	6.4
161.09630	1.9
161.13254	0.9
162.06725	0.5
163.03870	0.6
163.07512	0.8
163.11232	0.6
165.09142	0.6
165.12686	0.5
167.07016	2.3
171.08047	8.3
171.11708	0.7
172.08823	1.9
173.06000	4.8
173.09586	0.8
173.13284	1.2
174.06767	6.3
174.10388	0.8
175.07584	6.9
175.11182	32.0
175.14700	2.9
176.11502	0.8
177.05481	2.9
177.09081	0.7
177.12698	2.5
178.06226	3.6
178.07756	0.8
179.06975	0.6
179.08470	0.6
179.10664	1.3
187.07526	1.7
188.08328	18.0
189.09105	4.1
189.12738	0.4
189.16350	1.5
191.07010	8.0
191.08688	0.7
191.14217	0.5
192.07785	2.7
192.09334	0.6
193.08606	7.8
193.10057	0.4
193.12297	0.3
193.15834	0.9
199.14809	3.5
201.09125	0.6
202.09839	0.6
203.10675	28.3
204.11349	3.4
205.08588	3.9
205.10193	0.6
206.09366	3.1
207.10155	0.9
217.15858	5.2
220.08852	0.7
220.10727	3.3
220.12807	0.5
235.13264	100.0
235.16687	10.9
236.13602	3.4
236.17313	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1328
Annotation	Strigolactone ABC-rings
Peak:m/z	Relative Intensity
50.89344	0.6
53.03930	0.9
55.01858	0.6
55.05499	2.0
57.07085	1.4
59.04973	0.7
67.05509	3.1
69.03418	0.7
69.07056	1.7
69.27846	1.4
69.28258	2.8
71.04978	2.2
79.05498	3.9
81.07056	7.5
83.04967	1.3
83.08618	1.0
85.06527	1.5
91.05475	3.6
93.07039	6.1
95.04989	1.0
95.08613	5.2
97.06512	1.9
99.04490	0.7
103.05495	0.9
105.07023	9.0
107.04985	0.7
107.08588	7.4
109.06524	5.1
109.10131	2.6
111.08065	1.0
113.05997	0.8
115.05410	2.6
117.07022	3.3
118.04144	0.9
119.08580	9.3
121.06504	3.0
121.10129	4.3
123.08064	2.7
123.11681	1.7
125.09625	1.6
128.06212	9.5
129.06989	3.0
130.07794	1.2
131.04903	1.3
131.08553	2.7
133.06493	10.8
133.10138	5.9
135.08064	1.6
135.11652	2.6
137.06030	0.7
137.09607	0.7
141.06915	0.8
142.07768	1.9
143.08563	23.5
144.09264	1.2
145.06473	6.2
145.10124	7.3
146.03647	0.9
146.07262	1.9
146.52077	0.6
147.04295	0.7
147.08049	2.5
147.11684	3.8
149.05925	0.7
149.09619	2.3
149.13287	2.3
157.06514	1.2
157.10138	2.9
158.07239	0.8
159.04381	4.0
159.08047	2.2
159.11725	5.6
160.05223	0.7
160.08827	8.5
161.05992	5.7
161.09566	2.3
161.13275	1.2
163.07568	0.7
165.12718	1.0
167.06956	1.2
171.08054	9.6
172.08818	1.9
173.05948	4.8
173.13222	1.7
174.06747	6.2
175.07559	4.4
175.11172	22.8
175.14752	4.8
176.11493	0.9
177.05453	2.4
177.09157	0.9
177.12694	3.5
178.06216	2.1
179.10641	1.0
187.07562	1.2
188.08316	12.9
189.09154	3.7
189.16354	2.5
191.07033	7.5
191.14201	0.8
192.07768	2.3
193.08615	6.4
193.10211	1.0
199.14833	3.8
203.10672	27.5
204.11316	1.9
205.08592	3.3
205.10297	1.1
206.09236	3.2
207.10133	1.0
217.15875	5.8
220.10709	3.1
235.13272	100.0
235.16704	12.2
236.13541	2.3
236.15613	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1329
Annotation	Dehydrooreadone
Peak:m/z	Relative Intensity
50.76117	0.3
55.01860	0.3
55.05500	1.0
57.03424	0.3
57.07069	0.8
57.87201	0.3
67.05483	1.0
68.00406	0.2
69.03425	0.5
69.07054	1.3
71.04977	1.1
77.03917	0.3
79.05499	2.2
81.07066	3.3
83.04954	0.4
83.08618	0.6
85.06540	0.4
91.05477	2.1
93.07044	1.9
95.04935	0.3
95.08607	3.3
97.06503	0.3
97.10199	0.4
99.04437	0.6
103.05457	1.0
105.07036	5.5
107.04956	0.6
107.08598	3.7
109.06492	0.9
109.10125	1.5
111.08060	0.8
115.05420	1.6
117.07018	2.8
118.04157	0.4
119.08572	3.8
121.06501	1.2
121.10131	1.7
123.08057	2.5
123.11655	0.4
125.09636	0.5
126.95728	0.3
128.06215	7.8
129.07043	1.9
130.07782	0.8
131.04929	1.5
131.08568	2.4
132.09361	0.4
133.06491	8.8
133.10092	2.5
135.08072	0.6
135.11700	0.8
137.05922	0.4
137.09612	1.4
139.07547	0.4
141.06894	0.6
142.07765	1.2
143.08563	23.1
144.05682	0.7
144.09256	0.5
145.06477	5.4
145.10130	4.9
146.03590	0.5
146.07295	1.5
147.04388	0.4
147.08061	2.2
147.11684	2.0
149.05974	0.6
149.09578	0.6
149.13289	0.6
151.07573	0.5
151.11143	0.4
155.06036	0.3
155.08478	0.4
157.06474	0.8
157.10130	2.2
158.07297	0.6
159.04408	3.1
159.08063	1.7
159.11710	3.1
160.05225	1.7
160.08839	7.5
161.05980	5.7
161.09592	2.3
161.13248	0.8
162.06801	0.6
162.82144	0.3
163.07594	0.5
163.11191	0.5
165.09061	0.7
165.12746	0.5
167.07115	1.6
170.07259	0.3
171.08047	8.0
172.08833	2.1
173.05994	4.1
173.09572	0.6
173.13274	0.6
174.06769	5.9
174.10359	0.6
175.07574	6.4
175.11185	29.4
175.14676	2.1
176.11531	1.0
177.05510	2.1
177.09145	0.5
177.12767	1.2
178.06310	2.5
178.07803	0.4
179.10667	0.8
187.07533	1.1
188.06612	0.7
188.08325	12.5
189.09077	3.7
189.16412	1.6
191.07036	6.3
191.08713	0.5
192.07802	1.9
193.08600	5.8
193.15970	0.5
199.14809	4.2
201.09074	0.4
202.09889	0.9
203.10669	27.6
204.11301	2.5
205.08589	3.6
206.09396	2.6
207.10133	0.7
207.17345	0.4
217.15862	3.7
220.10847	3.5
220.12709	0.3
235.13283	100.0
235.16678	7.3
236.13617	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1329
Annotation	Dehydrooreadone
Peak:m/z	Relative Intensity
51.06723	0.5
55.05516	0.9
57.07061	0.5
62.16701	0.4
65.65816	0.4
67.05484	0.6
69.03410	1.0
69.07060	0.8
69.13101	2.4
69.13535	1.7
71.04975	0.6
72.20396	0.5
79.05479	1.9
81.07054	2.4
81.49570	0.5
91.05463	2.3
93.07010	1.4
95.04956	0.8
95.08592	1.3
103.05492	0.9
105.07027	4.3
107.04915	0.6
107.08560	1.6
109.06506	0.9
115.05451	1.7
117.07004	2.6
118.04144	0.6
119.08592	3.2
120.76743	0.4
121.06467	0.5
121.10120	1.3
123.55141	0.6
128.06226	6.4
128.80420	0.4
129.06993	1.6
130.07722	0.6
131.04901	0.9
131.08566	1.0
133.06474	7.6
133.10109	1.5
135.08086	0.6
135.11659	0.8
137.05956	0.8
141.07004	0.5
142.07767	1.7
143.08562	20.9
144.05673	0.5
144.09280	0.8
145.06473	4.9
145.10120	4.3
146.03619	0.8
146.07228	2.2
147.04282	0.5
147.08005	1.8
147.11697	0.9
149.05846	0.5
156.13145	0.4
157.06473	0.7
157.10065	1.1
158.07140	0.5
159.04407	2.5
159.08017	1.1
159.11681	1.0
160.05171	1.4
160.08859	7.6
161.05981	6.1
161.09555	0.9
163.07510	0.7
167.07001	2.1
171.08046	8.5
172.08781	2.1
173.05971	4.4
173.09552	0.6
173.13199	0.5
174.06734	5.8
175.07576	5.3
175.11183	27.8
175.14767	2.6
176.11516	1.6
177.05489	2.7
177.09001	0.7
177.12651	0.8
178.06268	2.7
179.08588	0.6
187.07518	1.0
188.08333	15.0
189.09082	3.7
189.16292	0.7
191.07028	6.6
191.08560	0.9
192.07770	2.1
193.08577	6.0
193.10179	0.8
199.14880	1.0
201.09125	0.6
202.10017	0.5
203.10667	28.2
204.11440	3.2
205.08546	3.2
205.10185	1.0
206.09299	2.5
206.11023	0.8
207.11823	0.6
217.15857	1.4
220.10674	3.0
220.12704	1.0
223.07840	0.4
235.13254	100.0
235.17032	3.3
236.13629	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1328
Annotation	Dehydrooreadone
Peak:m/z	Relative Intensity
53.03931	0.9
55.01864	0.8
55.05515	3.7
57.07074	1.3
59.04995	0.7
61.38507	0.5
67.05499	4.0
69.03416	0.9
69.07067	3.6
71.04981	1.4
71.31110	0.9
79.05488	3.6
81.07057	6.4
83.04957	1.7
83.08598	1.1
85.06532	1.1
91.05474	5.2
93.07036	5.5
93.27956	0.6
95.04952	1.4
95.08603	9.4
97.06524	1.2
99.04450	1.1
100.68225	0.6
103.05463	1.7
103.95011	0.6
104.07068	0.6
105.07028	10.9
107.04934	1.0
107.08591	7.9
109.06482	2.5
109.10144	4.2
111.08069	1.3
115.05421	1.8
117.07013	3.2
119.08584	10.2
121.06503	1.3
121.10136	5.5
123.04392	0.7
123.08060	1.8
123.11726	2.7
125.09596	0.9
128.05374	0.7
128.06232	8.8
129.06999	1.7
131.04897	1.2
131.08554	2.2
132.05731	0.7
133.06487	9.0
133.10124	7.5
135.08028	1.7
135.11687	3.9
137.05972	0.8
137.09642	1.4
141.07007	1.1
142.07745	1.6
143.08560	27.8
144.08981	0.9
145.06474	7.2
145.10129	5.4
146.07231	1.8
147.08005	3.6
147.11665	4.0
149.09631	1.7
149.13240	1.0
151.07600	1.2
151.11134	0.7
153.09093	1.2
157.06487	1.0
157.10092	2.1
159.04402	5.1
159.08028	2.1
159.11720	3.3
160.05113	1.5
160.08850	8.6
161.05968	6.9
161.09546	1.9
161.13260	10.8
165.09099	1.2
167.07039	2.3
170.07314	0.6
170.40839	0.7
171.08057	8.4
172.08728	2.3
173.05991	4.3
173.09573	0.8
173.13257	1.2
174.06770	7.1
174.30875	0.6
175.07590	7.2
175.11188	31.1
175.14774	4.8
176.11479	1.3
177.05415	2.1
177.06857	0.6
177.09116	0.7
177.12680	1.2
178.06203	3.8
178.07782	2.4
179.08597	1.0
179.10634	2.3
187.07521	1.1
188.06631	0.9
188.08319	17.1
189.07289	0.7
189.09088	4.4
189.16389	3.0
191.07028	7.7
191.08624	1.3
191.14284	1.1
192.07695	2.8
192.09328	1.6
193.08569	7.6
193.10146	1.0
193.12169	1.1
199.14798	2.0
200.95778	0.6
201.09015	0.6
203.10666	29.7
204.11382	3.2
205.06798	1.1
205.08562	3.8
205.10138	1.3
206.09393	2.4
207.08073	1.3
207.11697	1.0
217.15854	5.3
219.07932	0.7
220.08774	4.0
220.10898	3.2
220.12694	0.9
232.24854	0.5
235.07697	6.9
235.11189	7.8
235.13254	100.0
235.16753	17.8
236.08186	1.3
236.11519	0.7
236.13631	2.6
241.71068	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1328
Annotation	Encecalinol
Peak:m/z	Relative Intensity
59.04997	6.2
67.05513	0.7
69.05130	5.8
69.05527	1.2
69.07078	1.2
79.05481	0.9
91.05482	3.0
98.23289	1.6
105.07068	1.0
107.04961	3.7
108.05727	2.1
116.89985	0.6
119.08532	0.8
121.06510	2.2
121.10120	0.9
128.06265	1.0
129.07014	1.1
131.08598	0.9
135.04385	1.7
136.05190	5.5
142.07729	0.9
143.08600	1.6
144.05721	1.7
145.06543	1.6
146.07298	1.5
149.05939	1.0
150.06764	1.7
151.07544	100.0
152.07860	2.0
156.09447	0.8
157.10136	1.3
159.08041	3.9
160.08813	8.5
161.05998	3.9
161.09703	0.7
162.06770	4.7
165.05458	4.9
165.09108	6.8
171.08080	3.1
173.06013	0.8
173.09634	1.2
174.06754	1.2
174.10414	1.0
175.07530	0.9
175.10947	0.8
176.08333	18.7
177.09085	3.4
179.07016	2.7
179.10759	1.0
186.10410	9.1
187.07556	8.6
188.08311	3.1
189.09071	2.3
191.10674	25.1
192.05807	0.7
193.08563	1.3
202.09880	26.0
203.10326	0.9
204.11395	1.6
205.12239	1.6
207.08118	0.8
207.13757	0.9
217.12239	41.2
218.12511	1.8
235.07614	2.4
235.13289	83.4
236.08374	0.8
236.13628	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1691
Annotation	alpha-bergamotenoic acid
Peak:m/z	Relative Intensity
53.03923	2.5
55.05517	9.6
55.05746	2.2
57.03423	1.5
57.07061	3.7
67.05504	31.4
69.03395	1.7
69.07067	18.1
69.39627	5.6
69.40039	2.5
71.04969	1.7
79.05501	12.4
81.07056	37.6
83.04951	2.2
83.08626	6.7
84.39340	1.5
85.06509	2.4
87.04498	1.3
91.05470	14.8
93.07042	24.1
95.04987	6.6
95.05479	1.4
95.08605	95.6
97.06513	5.0
99.04478	3.5
105.07026	39.9
106.07413	1.8
107.08591	37.1
109.06516	6.6
109.10155	36.6
111.08063	4.3
113.06013	7.0
117.06985	1.9
119.08579	58.5
121.06487	3.3
121.10142	42.5
123.08083	10.0
123.11703	38.7
125.05968	1.7
125.09589	4.2
127.07596	1.9
128.06239	3.1
131.08553	5.6
133.06491	7.4
133.10124	40.9
134.58966	1.3
135.08051	3.8
135.11684	28.3
137.09587	4.0
137.13226	3.0
139.07486	2.7
139.11125	3.5
141.09122	2.6
142.07713	2.4
143.08568	9.4
144.09256	1.6
145.10109	5.2
147.07991	6.0
147.11703	15.2
149.09587	3.2
153.09084	4.1
157.10094	5.0
159.11703	13.3
160.08832	2.1
161.05917	2.4
161.09676	13.5
161.13252	100.0
162.13557	4.1
163.11108	1.6
165.09074	5.6
171.07991	3.1
173.06033	1.5
173.13211	5.0
175.07722	1.6
175.11240	19.4
175.14809	25.8
177.05522	1.4
177.12677	1.8
179.10651	10.6
188.08282	4.7
189.08955	1.5
189.12698	4.3
189.16370	23.3
193.08618	1.8
193.12155	2.4
199.14813	6.8
203.10657	10.9
213.74736	1.4
217.15880	22.8
220.12453	4.4
235.10898	1.6
235.11360	1.2
235.13148	28.9
235.16891	60.7
236.17192	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	(+)-12-Hydroxy-alpha-cyperone
Peak:m/z	Relative Intensity
53.03939	2.4
55.01870	2.8
55.05514	11.5
57.07070	3.9
60.26289	1.5
65.03930	1.9
67.05515	18.1
69.03424	4.0
69.07071	10.7
70.70844	1.5
71.05000	13.5
71.31835	2.1
79.05483	16.7
81.07060	37.8
81.14191	1.5
83.04984	4.2
83.08615	6.6
85.06527	3.9
91.05489	19.0
93.07054	28.1
95.04986	4.2
95.08606	39.3
97.06530	5.1
97.10178	2.7
99.04439	10.7
99.08087	2.5
101.87421	1.8
103.05466	2.0
105.07028	39.4
105.07669	3.0
107.08599	35.7
109.06528	13.8
109.10157	14.5
110.08822	1.9
111.08112	8.1
113.06027	1.9
115.05471	3.9
117.07035	7.4
119.08587	40.2
121.06508	5.7
121.10149	19.7
123.08076	33.4
123.11684	4.0
125.09641	5.0
127.07564	6.2
128.06229	12.5
129.07002	6.6
130.07808	2.6
131.08578	15.7
133.06485	13.7
133.09203	3.1
133.10144	33.5
135.08083	7.3
135.11707	11.8
137.05988	1.9
137.09637	12.4
139.07489	1.8
141.06996	1.9
142.07742	8.6
143.08572	35.8
144.09377	4.3
145.06503	6.7
145.10143	18.7
146.07228	2.3
147.08057	4.9
147.11696	23.5
149.09627	5.3
149.13274	7.5
151.07622	2.3
151.11162	4.7
153.09097	2.6
155.08502	2.2
156.09331	3.4
157.10147	19.9
159.04395	3.8
159.08093	2.2
159.11708	32.0
160.05177	2.6
160.08853	11.8
161.05949	8.2
161.09618	12.3
161.13260	7.8
165.07101	1.9
165.09166	3.9
165.12747	10.7
167.07071	3.5
171.08052	10.1
171.11697	4.3
173.05984	5.0
173.09679	1.9
173.13316	9.1
174.06749	5.9
175.07542	6.9
175.11191	51.7
175.14839	24.7
177.12717	17.2
178.06274	3.9
178.07771	4.3
179.08501	2.2
179.10699	8.9
184.12585	2.9
187.07442	2.4
188.08301	16.7
189.09145	5.8
189.12755	3.1
189.16394	19.3
191.07028	8.4
193.08585	7.4
193.12178	2.2
193.15910	6.0
199.14832	58.7
201.16528	1.6
203.07330	1.8
203.10657	30.1
204.11450	6.3
205.08658	6.6
206.09325	2.5
207.17421	1.8
217.15901	49.7
218.16225	2.0
220.10802	4.2
235.07622	9.2
235.11191	7.6
235.13301	100.0
235.16942	78.7
236.17169	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	Chenopodienolone
Peak:m/z	Relative Intensity
55.05514	11.6
57.03445	2.3
57.07077	9.5
59.04996	3.2
65.75762	1.8
67.05505	13.8
69.03439	7.2
69.07074	15.4
69.31755	11.5
71.05004	11.1
74.48922	1.7
79.05481	10.4
81.07060	38.0
83.04987	11.6
83.08631	7.3
85.02910	3.2
85.06523	11.6
91.05479	18.5
93.07050	43.3
95.04988	8.9
95.08611	28.9
97.06533	7.4
99.04458	2.7
105.07030	44.7
107.04976	5.4
107.08592	48.2
109.06532	27.1
109.10159	16.1
111.04468	5.7
111.08088	4.9
113.06021	3.1
115.05377	4.0
117.07034	7.7
119.08586	39.6
121.06516	13.2
121.10146	22.9
123.04449	3.3
123.08087	13.4
123.11690	8.9
125.09630	3.1
127.07611	2.4
128.06235	12.8
129.06952	4.5
130.07758	1.7
131.04996	2.6
131.08574	20.1
133.06511	19.4
133.10123	47.9
135.08051	7.5
135.11699	17.7
137.05949	17.8
137.09615	11.0
137.13228	4.0
138.63770	1.8
141.06917	2.0
142.07796	7.3
143.08556	38.8
144.09312	4.0
145.06508	6.6
145.10135	7.6
146.07234	3.8
147.04433	2.3
147.08080	6.5
147.11694	28.6
149.09641	13.9
149.13261	22.5
151.07550	5.4
151.11226	6.7
152.06245	2.0
153.09209	2.4
153.12773	3.6
155.06020	2.0
157.10095	15.8
159.11681	28.8
160.08870	5.1
161.05969	5.0
161.09644	10.3
161.13292	4.1
163.11212	2.2
165.09140	3.2
165.12790	5.0
171.08067	22.0
171.11658	4.6
173.13278	14.4
174.06787	1.9
174.10558	2.4
175.07573	2.5
175.11237	21.1
175.14816	32.6
176.06097	2.2
177.12737	25.3
178.06403	2.6
178.07835	8.3
179.08545	6.0
179.10721	5.5
189.06915	2.3
189.08917	1.9
189.16373	43.8
191.06984	3.2
191.14346	9.4
192.05806	4.6
192.07768	2.9
192.09409	3.2
193.08617	5.0
193.12209	17.2
193.15915	12.1
199.14836	8.6
203.10695	35.7
204.11218	3.5
204.30542	1.8
206.09354	3.1
207.08015	5.9
217.15895	32.7
218.16266	1.9
220.05191	2.5
220.10796	3.3
221.06053	2.3
235.07561	30.6
235.11179	5.7
235.13304	76.5
235.16956	100.0
236.08089	4.9
236.13631	3.4
236.17371	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	alpha-bergamotenoic acid
Peak:m/z	Relative Intensity
55.01887	2.5
55.05518	12.7
57.03428	3.2
57.07061	6.6
59.04993	2.7
60.49295	2.2
65.78997	2.2
67.05502	32.2
69.03428	2.7
69.07069	23.1
69.57646	4.3
69.57996	11.6
71.04984	10.9
74.16728	2.6
79.05482	18.4
81.07059	45.6
83.04979	5.5
83.08615	7.5
85.06541	11.0
91.05476	21.9
93.07044	32.1
95.04987	11.2
95.08608	100.0
97.06530	5.8
97.10160	3.3
98.95502	2.3
99.04408	7.2
105.06380	3.6
105.07030	53.8
107.04984	3.7
107.08588	43.1
109.06491	13.2
109.10156	35.6
111.08092	5.5
113.06008	8.7
117.07021	7.0
119.07775	4.6
119.08572	65.6
121.06510	6.0
121.10145	40.0
123.08064	12.2
123.11701	32.6
125.09658	4.7
126.56051	2.2
128.06201	4.7
129.07016	3.6
131.08592	12.0
133.06461	3.4
133.10130	45.3
135.08101	4.6
135.11685	30.7
137.09605	7.6
139.07516	3.2
139.11163	3.4
142.07777	3.1
143.08569	15.6
145.10095	10.7
147.08058	6.6
147.11679	26.4
149.09639	6.7
149.13235	6.3
149.63513	2.2
151.11122	5.4
153.09105	4.3
157.10159	14.3
159.11682	25.8
160.08878	3.2
161.09621	11.5
161.13258	82.6
165.09070	6.9
165.12611	3.2
171.08112	4.2
171.11693	5.7
173.05916	3.0
173.13268	8.7
175.11197	23.1
175.14818	28.9
177.12761	9.2
179.10648	12.2
188.08316	7.2
189.09143	3.2
189.12621	3.5
189.16394	27.7
191.07008	3.9
191.14352	3.5
193.12274	3.7
193.15865	7.6
199.14836	8.2
203.10681	10.1
205.08638	4.1
217.15875	31.2
235.11169	4.3
235.13312	38.3
235.16914	83.6
236.17374	2.9
250.09917	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	(+)-Isopetasol
Peak:m/z	Relative Intensity
53.03940	1.0
55.01874	2.1
55.05507	9.7
57.03426	1.6
57.07068	3.5
58.42591	0.8
58.64302	0.9
59.04987	1.9
59.09785	0.8
59.30466	1.0
61.36549	0.8
65.03921	1.8
65.91357	0.9
67.05501	9.4
69.03416	3.4
69.07069	9.1
69.90776	1.5
69.91123	2.9
71.04975	3.6
79.05488	11.2
81.07054	21.2
83.04977	3.5
83.08612	2.4
85.06536	3.5
89.03564	1.0
91.05470	14.2
93.07042	20.7
95.04966	6.4
95.08609	18.6
97.06523	12.6
99.04433	1.5
99.08105	1.0
105.07031	29.9
107.04951	43.1
107.08592	19.8
109.06502	5.1
109.10139	11.1
111.08079	18.3
117.07014	5.0
119.08578	30.5
121.06510	3.3
121.10142	11.4
123.04459	2.2
123.08069	6.4
123.11703	2.4
125.05980	2.2
125.09624	2.4
128.06181	2.0
129.07036	3.5
130.07779	1.2
131.04950	1.0
131.08591	7.4
133.06432	2.1
133.10127	24.5
135.08067	6.8
135.11684	9.6
137.06009	1.6
137.09622	4.3
139.11142	1.3
142.07750	2.5
143.08589	5.3
145.10123	9.9
147.08058	5.4
147.11687	13.5
147.42262	0.9
149.09621	21.7
149.13260	3.4
151.11162	2.8
153.09030	2.0
156.09357	1.7
157.10124	7.6
159.11693	11.1
161.09624	8.1
161.13248	9.7
162.10399	3.8
163.11159	3.5
165.09177	2.5
165.93686	0.9
171.11664	3.2
173.09726	1.1
173.13300	4.7
175.07558	2.1
175.11232	7.3
175.14825	13.2
177.12743	61.1
178.13045	2.7
179.10655	8.4
187.14914	1.5
189.12772	9.4
189.16389	20.6
191.14290	1.4
193.12283	0.9
199.14825	8.2
205.15889	2.5
207.17494	1.2
217.12318	2.0
217.15875	20.9
218.16148	1.2
220.14597	1.6
235.09665	1.9
235.13138	2.8
235.16927	100.0
236.17276	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	Chenopodienolone
Peak:m/z	Relative Intensity
53.03942	3.2
55.01865	2.7
55.05502	11.2
57.07066	6.9
59.05006	1.5
64.86071	1.4
66.65253	1.4
67.05508	14.3
69.03432	3.5
69.07068	20.6
69.17463	1.6
71.04999	11.1
79.05507	17.1
81.07061	39.8
83.04993	4.3
83.08610	5.3
85.06548	17.8
91.05478	28.1
93.07045	40.3
94.60649	1.4
95.04947	5.8
95.08614	37.9
97.06515	5.6
97.10162	2.6
99.04474	2.5
105.07030	56.7
107.05010	2.2
107.08594	45.1
109.06511	13.5
109.10152	15.4
111.08080	8.2
113.06013	2.5
115.05466	3.5
117.07014	10.9
117.76548	1.5
119.08586	63.6
120.08896	1.9
121.06512	13.3
121.10146	22.0
123.08073	13.7
123.11706	7.1
125.06001	2.6
125.09650	2.8
127.07539	1.6
128.06204	3.0
129.07001	8.0
131.08559	20.4
133.06480	4.5
133.10129	55.1
135.08061	12.3
135.11720	8.2
137.05963	3.9
137.09596	6.2
142.07785	7.2
143.08554	10.7
144.09329	2.3
145.06531	2.4
145.10107	12.1
146.10944	1.7
147.08061	23.3
147.11679	26.1
149.09613	6.9
149.13249	18.4
151.07545	4.4
151.11159	6.7
153.09122	2.0
153.63840	1.4
156.09404	2.2
157.10136	17.7
159.08011	2.3
159.11693	25.8
160.08850	3.4
161.09622	31.5
161.13235	19.5
163.11220	5.1
165.06898	1.8
165.09109	1.7
165.12770	4.2
167.10683	3.1
171.11693	6.3
173.13283	9.7
175.07558	38.1
175.11192	33.3
175.14816	32.3
177.12726	8.9
179.10725	9.0
184.12563	1.9
185.40697	1.6
187.14787	4.2
189.09102	2.5
189.12764	5.6
189.16399	28.2
191.14313	4.6
193.12262	5.5
193.15871	7.5
199.14813	23.6
205.15791	1.8
207.17441	1.8
217.08568	2.7
217.12410	3.8
217.15898	46.1
228.92201	2.1
235.07532	3.8
235.11195	7.3
235.16930	100.0
236.11975	1.8
236.17270	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
53.03930	3.5
55.01859	3.5
55.05515	19.7
57.03441	3.4
57.07063	6.6
59.04998	2.0
65.03915	3.5
67.05502	23.6
67.56855	2.2
69.03426	37.4
69.07070	16.9
69.15831	20.3
71.04980	9.2
74.77607	1.9
75.52911	1.9
79.05494	27.0
80.15687	2.1
81.07054	80.7
82.09637	2.0
83.04969	6.0
83.08612	9.2
85.06531	5.1
91.05473	27.0
93.06474	2.8
93.07042	50.4
95.04955	14.3
95.08604	55.3
97.06525	25.7
97.10168	5.6
98.23341	4.6
99.04449	3.8
105.07027	70.9
107.04919	2.6
107.08591	86.3
109.06524	23.0
109.10143	27.7
111.04434	3.4
111.08067	8.1
115.05437	2.2
117.07017	5.3
119.08572	68.5
121.06491	10.9
121.10117	26.4
123.08031	14.4
123.11704	27.7
124.89864	2.2
125.05967	2.6
125.09632	25.0
129.07019	2.8
131.08568	16.1
133.10121	69.6
135.08060	6.6
135.11690	24.8
136.12389	2.7
137.09593	6.9
139.07567	2.7
141.09138	3.2
142.07790	4.1
143.08546	9.0
145.10141	8.8
147.08023	4.6
147.11673	23.4
149.09592	8.1
149.13283	5.2
151.11176	31.0
153.09090	8.5
157.10124	16.3
159.11685	18.8
159.72839	2.3
161.09644	10.5
161.13249	48.3
165.09120	3.7
165.12782	2.3
171.11674	3.5
173.13263	7.5
175.11150	10.9
175.14793	20.1
177.12727	9.6
179.10661	7.2
189.12762	5.4
189.16379	70.8
193.15906	6.7
199.14827	20.1
217.15872	45.9
235.11189	4.4
235.14600	5.5
235.16907	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	Rishitinol
Peak:m/z	Relative Intensity
55.01881	1.0
55.05501	2.2
59.04982	1.3
63.37030	1.0
65.03932	1.0
67.05506	10.1
69.07050	2.1
71.04996	21.2
71.21147	1.2
79.05499	9.4
81.07058	26.0
85.06541	1.4
91.05489	8.2
93.07046	13.1
95.04942	1.6
95.08612	24.7
97.06530	2.2
105.07031	12.2
107.08598	22.8
109.06519	11.3
109.10159	5.5
111.08080	6.5
117.07038	4.6
119.08588	12.2
121.10140	3.1
123.08071	37.3
127.07582	4.8
128.06262	1.1
129.06976	2.4
131.08559	9.0
133.06526	1.0
133.10141	11.5
135.08026	2.9
135.11670	3.0
137.09616	13.2
142.07776	5.6
143.08557	8.7
144.09319	2.7
145.10098	4.0
147.11703	8.0
151.11140	1.4
156.09268	1.3
157.10121	24.2
158.10489	1.1
159.11696	39.9
161.09630	2.4
165.11366	1.1
165.12758	19.0
166.13033	0.9
169.10117	1.0
171.11685	3.6
173.13245	3.8
175.11224	10.4
175.14825	20.1
177.12785	9.4
179.10605	1.7
184.12468	2.6
193.15909	7.0
199.14816	100.0
200.15117	2.7
202.06065	1.1
217.15881	47.7
218.16299	1.2
235.14565	1.9
235.16919	31.8
247.86058	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
53.03922	1.2
55.05511	5.7
56.05017	1.8
57.07069	4.0
59.04987	3.0
65.03926	1.3
65.34148	1.0
67.05500	12.1
69.03424	11.1
69.07070	9.5
69.72604	4.3
70.25907	1.0
75.04466	1.2
79.05487	4.7
81.07052	16.0
83.04979	3.7
83.08614	8.0
85.06516	2.3
88.07635	2.8
91.05482	11.4
93.07045	13.3
95.04984	5.8
95.08603	11.1
97.06520	9.6
105.07035	26.0
107.04956	5.6
107.08585	26.4
109.06517	11.9
109.10151	18.7
111.08082	4.9
115.05406	1.6
117.07008	4.3
119.08572	41.8
120.81808	1.1
121.06489	9.1
121.10133	11.0
122.08134	1.3
122.10328	1.1
123.08035	10.1
123.11669	6.5
125.09629	14.0
127.11161	2.3
129.06996	1.4
131.08545	3.9
133.06471	2.1
133.10126	37.8
135.08058	28.5
135.11685	73.9
136.12061	2.2
137.09593	8.0
142.07759	2.7
143.08548	3.9
145.10095	2.6
147.08061	9.8
147.11665	6.8
149.09651	4.9
151.11183	37.7
157.10123	4.8
159.11739	5.9
161.09618	19.9
161.13251	2.2
163.11172	1.9
165.09064	1.2
166.02562	1.2
173.13249	2.0
175.11203	9.6
175.14778	6.9
177.12715	7.6
179.10666	100.0
180.11050	2.2
182.09483	1.1
187.18826	7.3
189.16388	8.6
193.12228	1.7
199.14803	4.8
217.12300	1.7
217.15860	20.9
235.16931	58.0
235.20734	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	Rishitinol
Peak:m/z	Relative Intensity
50.38807	3.0
53.03956	5.3
55.01874	4.4
55.05509	16.4
55.47231	3.5
57.07073	9.2
59.04989	3.9
61.02904	3.5
67.05503	25.0
67.10313	3.3
69.03428	5.1
69.07069	22.1
69.13692	27.9
71.04993	25.3
77.70603	3.3
79.05487	26.7
81.07058	65.3
83.08643	5.8
85.06535	9.2
90.27161	3.5
91.05479	33.0
93.07038	41.8
95.04975	8.0
95.08600	56.7
97.06546	9.2
99.04442	7.2
101.27255	3.7
101.74256	3.5
105.07021	81.0
105.07664	5.8
107.04964	4.5
107.08598	66.1
109.06509	28.2
109.10139	26.7
111.08085	9.6
117.07018	13.6
119.08573	88.5
121.06512	12.5
121.10142	33.6
123.08070	21.5
123.11717	5.2
125.09660	7.4
127.07552	6.7
128.06207	7.2
129.06979	9.9
131.08565	34.4
133.10124	69.0
135.08060	10.3
135.11678	18.4
137.09607	21.1
142.07777	9.5
143.08565	24.4
144.09309	8.4
145.10126	15.5
147.08052	14.9
147.11684	32.3
149.09636	6.6
151.11188	4.7
156.09349	7.4
157.10120	55.4
159.08125	5.4
159.11679	64.8
160.12001	4.3
161.09639	47.0
161.13271	14.7
162.10277	4.2
165.12766	14.5
168.70975	3.0
170.10831	4.2
171.11638	21.1
173.13284	23.3
175.07585	6.0
175.11253	23.2
175.14813	83.6
177.12737	16.3
179.10690	5.8
189.16408	29.1
191.14285	6.8
193.15929	6.4
199.14813	92.4
200.15198	4.3
208.72812	3.6
217.12489	4.2
217.15869	100.0
218.16240	4.0
235.07521	7.8
235.11165	8.4
235.13266	6.3
235.16933	83.7
236.17313	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1691
Annotation	Capsenone
Peak:m/z	Relative Intensity
50.82196	0.7
51.81617	0.7
53.03938	1.2
55.01858	1.4
55.05514	4.5
55.05719	0.8
57.03421	1.4
57.07060	3.4
59.05001	11.0
59.32164	0.8
60.69778	0.7
66.66338	0.7
67.05505	6.0
69.03414	2.0
69.07071	6.5
71.04981	3.0
71.30328	0.7
74.96046	0.9
79.05486	6.1
81.07058	13.5
83.04966	2.5
83.08605	3.1
85.06547	10.8
91.05470	8.6
93.07043	14.5
95.04963	3.6
95.08601	12.6
97.06534	4.8
99.04468	1.6
99.08096	1.5
105.07026	16.0
106.07365	0.9
107.04931	2.9
107.05618	0.8
107.08592	14.0
108.05701	1.3
109.06529	5.3
109.10152	8.4
111.08079	20.9
113.06016	7.2
117.07056	1.7
119.08582	29.8
121.06541	4.3
121.07243	1.0
121.10136	30.5
123.04430	1.4
123.08075	10.8
123.11700	3.0
125.09592	1.6
127.07552	1.4
127.11185	2.4
129.07013	1.8
131.08586	6.5
133.06488	1.6
133.10127	15.4
135.04391	1.2
135.08040	5.0
135.11707	5.8
136.05159	2.0
137.05975	1.2
137.09642	5.5
142.07780	3.6
143.08537	2.8
144.09262	0.9
145.10103	8.3
147.08022	3.2
147.11681	5.9
149.09685	4.6
149.13153	1.3
151.07538	58.3
151.11122	4.2
152.07855	2.1
153.09094	1.1
155.07112	1.0
156.09317	1.3
157.10120	9.0
159.08046	2.5
159.11693	10.6
160.08829	4.6
161.06006	2.6
161.09615	7.9
161.13286	5.0
162.06697	1.4
162.10342	0.9
163.11130	3.9
165.05521	8.5
165.09129	6.1
165.12703	1.5
171.08112	1.2
171.11702	5.0
173.13235	3.8
174.10472	1.5
175.07635	1.4
175.11224	15.3
175.14803	20.4
176.08350	10.0
177.09071	1.4
177.12747	7.7
179.06989	2.4
179.08461	1.2
179.10664	1.9
186.10419	4.4
187.07564	3.3
187.11122	1.3
188.08368	1.2
189.09154	1.1
189.12759	17.4
189.16415	5.0
191.08813	1.2
191.10651	13.4
191.14270	1.3
192.09244	2.3
193.10271	1.0
193.12241	1.7
193.15918	6.2
199.14868	4.1
202.07977	1.1
202.09842	12.5
204.11418	1.0
205.10158	1.9
205.12234	3.3
206.10907	1.2
217.10213	0.8
217.12285	19.3
217.15846	27.9
217.19220	1.1
218.16148	1.1
220.08865	1.1
220.12445	1.1
220.14453	1.7
221.09480	0.9
230.53926	0.9
235.11188	4.7
235.13243	51.0
235.16907	100.0
236.13669	2.5
236.17290	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	Rishitinol
Peak:m/z	Relative Intensity
53.03945	1.2
55.05510	4.0
57.03418	1.0
57.07053	1.2
59.05011	1.0
65.03950	0.7
66.04738	0.7
67.05504	9.7
67.05842	1.1
67.83474	0.8
69.03389	1.4
69.07059	2.6
69.12976	6.1
71.04601	1.1
71.04993	21.7
74.38143	0.8
79.05049	1.2
79.05488	11.8
81.07053	29.1
85.06523	0.8
91.05474	9.8
93.07043	18.1
95.04974	2.6
95.08604	28.4
96.08939	0.8
97.06519	1.7
99.08068	1.1
105.07030	15.3
107.04965	1.1
107.08592	25.1
109.06510	12.0
109.10165	5.3
111.08074	6.0
113.09655	1.2
115.05441	2.0
117.07023	5.3
119.08580	16.5
121.10134	4.9
123.08067	38.8
127.07562	6.8
128.06213	6.4
129.06987	3.9
130.07794	1.3
131.04915	1.5
131.08572	10.8
133.06522	5.0
133.10129	11.4
135.08051	4.5
135.11697	5.0
137.09613	13.2
138.09935	0.7
139.07558	0.8
141.06956	1.3
142.07770	6.3
143.08562	24.5
144.09348	5.0
145.06477	3.7
145.10141	7.1
146.07225	1.2
147.08031	1.8
147.11694	8.8
149.09608	2.2
151.11156	2.1
155.08530	1.3
156.09319	1.0
157.10114	27.8
157.11421	1.3
159.04436	2.6
159.08064	1.8
159.11687	38.7
160.05237	1.7
160.08806	5.8
160.12088	1.2
161.05980	3.1
161.09590	3.2
161.13214	1.0
163.11172	1.1
165.12758	16.4
167.07042	1.6
169.10129	2.4
170.10910	1.0
171.08052	4.5
171.11688	2.9
173.05975	3.0
173.13251	3.2
174.06801	4.0
175.07578	3.8
175.11174	30.7
175.14809	21.0
177.12715	8.4
178.06281	2.2
179.08562	1.2
179.10643	2.1
184.12485	3.0
187.07512	1.1
188.08318	8.6
189.09074	2.7
189.16353	1.9
191.07039	3.4
191.08565	1.8
192.07690	1.3
192.09344	2.7
193.08580	3.8
193.10054	1.5
193.15858	6.9
199.14815	100.0
200.15149	3.5
203.10670	16.5
204.11266	1.3
205.08487	2.2
205.10187	2.8
206.07483	0.9
206.09264	1.7
206.10999	1.2
207.11664	1.7
217.15878	42.7
218.16335	1.2
220.08841	1.7
220.10606	0.9
220.12447	2.3
235.11121	8.1
235.13174	51.2
235.16820	30.2
236.13637	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	Chenopodienolone
Peak:m/z	Relative Intensity
53.03944	3.6
55.01860	2.5
55.05511	14.3
57.07078	8.3
59.05005	3.3
65.03935	3.3
67.05502	23.8
69.03418	7.1
69.07069	22.9
69.78536	3.7
69.78937	3.0
71.04997	19.4
73.06571	1.3
79.05495	30.7
81.03400	2.2
81.07058	52.6
83.04975	19.3
83.08612	10.1
85.02918	3.9
85.06538	16.0
91.05478	37.8
93.07041	77.4
93.33916	1.5
95.04966	9.9
95.08603	31.7
97.06528	7.1
97.10162	4.1
98.44989	1.4
99.04446	5.1
99.08106	3.7
101.06035	2.0
105.04531	2.1
105.07032	44.0
107.04982	3.5
107.08597	56.7
109.06516	32.4
109.10153	17.3
111.04430	8.1
111.08054	8.0
113.05981	6.9
115.05481	1.7
117.07000	7.7
119.08583	46.4
119.09445	2.4
121.06516	14.3
121.10145	33.6
123.04438	9.3
123.08037	10.8
123.11707	15.3
125.09621	3.1
127.07568	3.0
128.06200	1.9
129.07010	4.8
131.08559	18.4
133.06487	3.1
133.10135	48.0
134.10895	1.9
135.08055	11.5
135.11697	20.1
137.05971	36.7
137.09621	11.6
137.13261	2.6
142.07799	2.8
143.08540	8.6
144.09343	4.7
145.10100	7.0
147.08028	2.6
147.11679	29.2
149.09639	6.1
149.13261	26.5
151.07556	5.8
151.11168	28.0
153.09125	1.6
153.12772	3.3
157.10120	12.4
159.11690	29.5
161.09618	9.2
161.13219	3.6
165.06966	2.7
165.09154	3.0
165.12746	7.0
171.11716	3.3
173.13251	7.0
175.11206	17.4
175.14809	22.7
177.12764	32.0
178.07787	7.9
179.08534	8.1
179.10710	10.7
189.09151	2.8
189.12704	2.6
189.16388	35.4
191.08507	6.0
191.14317	5.2
192.09312	10.4
193.10130	16.9
193.15874	19.2
199.14796	9.1
203.08516	2.2
203.10593	1.7
204.11470	3.1
205.10115	20.9
206.10959	11.1
207.08034	2.3
207.11792	7.8
217.15886	29.9
219.11699	3.7
220.08853	4.2
220.12439	26.3
221.12875	2.3
235.07487	5.6
235.11406	17.4
235.14775	55.7
235.16957	100.0
236.11815	3.2
236.15259	3.2
236.17377	3.2
242.80197	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	alpha-Santalene-12-oic acid
Peak:m/z	Relative Intensity
53.03947	2.8
55.05508	9.4
57.03427	3.7
57.07061	5.4
67.05500	12.2
69.03421	3.2
69.07069	17.3
69.26428	11.8
71.05003	9.4
79.05488	16.3
79.65392	1.5
81.07056	38.8
82.62963	1.6
83.04978	3.0
83.08615	5.5
84.71791	1.4
85.06540	4.6
88.90881	1.3
89.81326	1.5
91.05479	27.0
93.07043	29.4
95.04974	4.5
95.08602	28.1
97.06529	11.2
101.56107	1.5
103.05452	2.9
105.07027	100.0
107.04963	2.9
107.08595	37.2
109.06505	11.6
109.10138	15.7
111.08058	3.0
115.05453	2.9
117.07022	13.5
119.08576	87.9
120.08893	2.1
121.06529	8.1
121.10144	16.2
123.08075	4.4
123.11706	6.3
126.66744	1.6
128.06216	3.1
129.07002	9.1
130.07742	2.8
131.08571	24.7
132.09334	4.6
133.06482	2.2
133.10127	52.8
134.10509	2.1
135.08040	6.0
135.11707	9.5
137.06064	1.7
137.09612	3.5
137.13258	2.0
139.07565	2.1
142.07784	8.8
143.08563	17.8
144.09294	6.9
145.10121	23.5
145.70149	1.5
147.08041	18.2
147.11696	24.4
149.09612	7.8
149.13245	4.9
151.11172	2.6
155.08569	2.2
156.09285	2.7
157.10120	38.3
158.10652	2.4
159.08058	1.8
159.11691	49.7
161.09631	19.3
161.13254	18.1
162.10179	1.8
163.11182	5.4
165.09045	3.3
169.10164	2.2
171.11665	6.3
173.13275	11.6
175.07529	18.9
175.11209	15.7
175.14807	44.9
177.12672	8.9
179.10645	9.2
187.14816	14.9
189.12782	4.9
189.16399	19.6
191.08598	1.8
193.15923	1.9
199.14792	22.2
205.15852	1.6
217.08681	2.1
217.15872	36.4
218.16400	1.9
235.16940	81.4
236.17218	3.4
243.76537	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	Rishitinol
Peak:m/z	Relative Intensity
52.84985	1.9
53.03960	2.5
55.01874	2.2
55.05519	14.5
57.07053	3.2
59.04982	3.1
65.21558	1.7
67.05507	17.6
69.03425	4.3
69.07063	10.8
69.33849	10.8
69.34244	2.4
71.04993	25.9
79.05482	20.3
81.07053	51.2
83.04983	3.7
83.08580	3.1
85.06528	5.1
85.75977	1.7
87.40044	2.0
91.05482	25.2
93.07039	33.4
95.04967	7.6
95.08606	41.2
95.13934	1.7
97.06527	7.6
99.04401	2.6
103.05440	1.8
105.06374	3.3
105.07029	43.1
107.07858	2.5
107.08592	47.7
109.06522	17.6
109.10159	16.6
111.08106	11.0
115.05438	2.4
117.07017	7.0
119.08578	38.4
120.08911	2.7
121.06508	5.3
121.10138	18.8
123.08064	41.4
123.11690	6.2
125.09615	3.6
127.07560	6.1
128.06241	2.7
129.06992	5.6
131.08543	15.0
133.10135	32.7
135.08061	10.7
135.11655	8.9
137.09613	17.1
139.07579	2.9
142.03302	1.7
142.07777	6.7
143.08575	13.2
144.09372	4.3
145.10103	8.2
147.08041	6.0
147.11684	21.1
149.09589	5.4
149.13242	4.2
151.11160	6.1
153.09103	1.9
157.10121	29.0
159.11696	53.4
160.12012	2.7
161.09625	11.8
161.13264	21.9
163.11124	3.2
165.09131	2.1
165.12761	17.7
171.11653	6.4
173.13245	8.9
175.07553	2.9
175.11215	14.8
175.14827	38.0
176.15155	2.1
177.12733	15.0
179.10675	7.1
184.12509	3.1
189.12732	3.0
189.16428	13.8
191.14323	2.3
193.15817	6.8
199.14812	100.0
200.15152	4.5
217.15886	71.2
235.13326	3.1
235.16930	72.7
236.17343	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	Chenopodienolone
Peak:m/z	Relative Intensity
50.03662	2.5
53.03952	4.6
55.05513	12.5
57.07065	3.7
59.05001	3.6
67.05511	11.6
69.03428	6.2
69.07082	14.2
69.23376	21.4
71.05000	26.7
79.05496	19.2
81.07064	42.8
83.04993	10.0
83.08640	8.4
85.06546	9.9
86.62933	2.8
88.96234	2.6
91.05482	20.5
93.07043	50.6
95.04990	10.0
95.08602	29.0
97.02908	3.2
98.23385	6.2
99.04484	3.5
105.07032	51.4
107.04932	5.4
107.08596	38.4
109.06526	26.3
109.10170	20.0
111.04424	5.2
111.08099	3.8
113.06016	5.5
117.06991	6.0
119.08583	47.8
121.06519	12.5
121.10143	52.6
123.04415	5.4
123.08086	10.3
123.11717	11.6
125.06018	5.9
126.44565	3.7
129.07048	5.2
131.08563	21.7
133.06479	3.6
133.10144	34.3
135.08075	6.4
135.11728	11.3
137.05977	40.9
137.09645	13.1
142.07796	3.6
143.08612	6.2
144.09312	5.8
145.10114	23.5
147.08070	10.3
147.11699	32.8
149.09662	11.0
149.13249	24.1
151.07487	3.5
151.11227	10.2
157.10141	17.6
159.11725	26.4
161.09636	11.8
161.13362	3.8
165.07059	6.7
165.09219	4.9
165.12787	6.5
173.13313	9.6
175.11214	10.0
175.14822	26.8
177.12732	39.3
177.14166	3.4
178.07829	10.0
179.08559	10.9
179.10646	3.1
189.16405	28.8
191.08525	16.4
191.14282	6.2
192.09358	34.7
193.10133	14.7
193.15953	12.0
199.14874	7.8
202.07880	3.3
205.06642	8.7
205.10094	22.2
206.10858	7.4
207.08086	5.2
207.11702	17.7
217.15930	26.3
219.08090	7.9
219.11653	3.7
220.08830	19.0
220.12413	27.8
221.12926	3.8
235.05566	3.1
235.07545	12.3
235.11226	100.0
235.14822	54.0
235.17017	79.8
236.11841	11.0
236.15401	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	Chenopodienolone
Peak:m/z	Relative Intensity
50.39618	3.2
54.25878	3.0
55.05513	8.5
56.82048	2.8
57.07072	12.5
67.05505	11.5
69.03432	6.9
69.07081	21.9
71.04993	17.8
79.05482	18.3
81.07059	57.4
83.04965	17.2
83.08624	11.7
85.02924	5.0
85.06535	15.5
91.05478	25.1
93.07051	49.8
95.04976	12.2
95.08611	39.2
97.06519	7.3
97.10141	3.7
99.04446	4.3
105.07033	58.4
107.04929	5.7
107.08604	66.4
109.06517	46.4
109.10171	28.2
111.04416	8.8
111.08092	9.4
113.06001	6.1
117.07036	5.7
119.08582	49.6
121.06492	16.1
121.10156	37.1
123.04440	15.5
123.08085	13.4
123.11735	15.6
125.09636	6.8
127.07537	4.6
129.07034	7.6
129.88901	3.3
130.84341	2.8
131.08557	22.2
133.06499	4.5
133.10141	58.9
135.08061	11.6
135.11696	27.0
137.05984	64.6
137.09621	11.2
137.13249	4.3
139.07512	2.9
141.07097	4.0
142.07771	6.6
143.08525	8.7
144.09349	6.9
145.10123	11.2
146.07242	3.7
147.08051	6.2
147.11676	33.0
149.09621	10.9
149.13271	30.6
151.07555	7.6
151.11223	13.4
153.12730	4.7
157.10092	15.3
159.11696	36.3
161.09633	15.6
161.13252	12.9
163.11203	3.3
165.09142	10.6
165.12764	9.1
171.11725	4.3
173.13261	7.9
173.35143	3.2
175.11209	25.0
175.14833	39.0
177.12730	41.1
178.07854	5.4
179.07080	3.4
179.08556	7.8
179.10725	9.4
189.16403	42.2
191.08495	6.2
191.14291	4.3
192.09329	9.4
193.10162	10.0
193.12413	3.3
193.15855	15.0
199.14828	9.4
205.10121	16.4
206.10968	8.3
207.11719	8.8
207.17413	4.6
217.15898	36.9
220.08852	6.0
220.12395	20.4
221.09744	3.7
235.07587	4.8
235.11336	25.7
235.14803	43.9
235.16978	100.0
236.15358	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	Chenopodienolone
Peak:m/z	Relative Intensity
54.71214	3.2
55.05507	11.0
57.07080	4.8
59.05006	6.6
67.05512	15.6
69.03423	6.0
69.07058	20.5
71.05001	20.0
79.05496	16.4
81.07052	39.1
83.04982	6.6
83.08617	6.8
85.06532	11.9
91.05475	24.5
93.07047	41.8
95.04967	9.5
95.08595	35.8
95.70211	3.5
97.06533	8.5
99.04441	5.5
99.08081	3.5
99.81376	3.3
104.07089	3.7
105.07040	56.9
107.08598	52.4
109.06495	21.7
109.10157	15.9
111.08078	7.5
115.05423	6.1
117.07016	12.1
119.08582	63.2
121.06510	10.0
121.10138	30.2
123.08067	17.2
123.11671	6.2
125.09622	5.7
128.06226	11.6
129.06995	5.4
131.08571	28.9
132.81915	3.4
133.06506	11.3
133.10136	43.7
135.08054	5.1
135.11710	16.3
137.09584	12.5
139.07565	6.5
142.07771	9.2
143.08548	33.7
145.06474	10.5
145.10118	20.9
146.10884	4.1
147.08070	4.5
147.11696	32.4
148.12013	4.6
149.09616	8.5
149.13251	11.5
151.11201	6.8
157.10123	21.5
159.04234	3.5
159.11699	40.5
160.08842	10.0
161.05977	7.2
161.09604	11.4
161.13231	10.9
163.11189	7.8
165.12764	5.3
171.08038	6.4
173.13287	10.3
175.07573	6.1
175.11201	48.4
175.14856	30.4
177.12787	18.0
179.10590	8.2
188.08318	8.0
189.09117	5.0
189.12718	6.2
189.16377	36.8
191.07027	4.5
191.14328	5.3
192.07680	3.9
193.08459	4.3
193.12158	4.1
193.15912	8.8
199.14833	15.0
199.23155	3.7
202.13519	3.8
203.10669	25.6
207.17493	4.4
217.15863	34.6
235.11365	3.0
235.13284	73.4
235.16914	100.0
236.16823	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.4
67.05508	7.1
69.07069	8.9
71.03209	8.3
71.04982	8.3
71.27745	4.0
79.05502	9.9
81.07048	15.4
83.04980	4.5
91.05468	9.9
93.07046	14.1
95.08617	13.3
103.05459	4.0
104.20592	3.7
105.07048	10.8
107.08596	17.4
109.06525	3.9
109.10159	14.8
115.05463	6.1
117.07018	5.1
119.08591	8.5
121.10135	13.3
123.11702	4.3
128.06235	7.4
129.07005	26.3
131.04875	5.2
131.08568	23.0
133.10118	10.9
135.11748	6.9
136.71704	3.4
141.06943	18.9
145.06519	7.3
145.10150	10.0
149.13361	4.2
151.11177	24.6
157.06445	24.5
158.07253	14.5
159.08049	11.7
159.11632	7.1
168.93448	3.9
169.06459	10.4
173.13303	5.8
174.06789	37.5
175.07512	11.6
186.06776	6.3
189.09122	57.3
191.07076	7.5
191.10706	4.4
201.09096	17.1
219.10162	100.0
219.13689	4.0
219.17488	12.4
220.10632	4.9
237.14865	10.8
237.18488	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01861	2.1
55.05513	1.2
56.24322	0.8
57.03438	6.8
62.46458	0.8
67.05513	1.8
69.52932	4.9
71.04985	1.1
75.04482	2.2
79.05489	3.9
81.07066	2.1
83.05000	1.9
83.08614	1.0
83.29490	0.8
85.02923	1.1
85.30619	0.8
86.09268	0.8
91.05479	14.1
93.07033	2.8
95.04975	1.6
95.08594	2.3
97.06535	1.2
102.04685	6.7
103.05470	52.5
105.03406	2.0
105.04505	1.0
105.07034	9.5
107.04931	3.0
107.08593	2.1
109.02923	1.1
109.06524	1.9
115.05467	3.7
115.37791	0.9
117.07023	3.5
118.04128	1.0
119.04941	9.3
119.08590	2.4
121.06541	1.9
121.10152	1.5
121.80418	0.9
123.08103	1.6
124.05199	4.2
129.07001	2.0
130.04152	17.9
130.05080	1.4
131.04929	100.0
131.08595	1.4
132.05258	2.2
133.06473	7.4
135.04465	2.6
135.08044	2.1
135.11717	1.1
137.05978	6.2
145.06520	3.5
145.10175	1.3
147.04378	4.4
147.07999	1.1
148.05190	97.3
149.05879	1.5
151.03914	1.2
151.07532	5.3
151.11186	3.3
152.08333	2.0
158.07275	1.1
159.08070	1.8
159.11702	1.5
160.05206	3.9
161.05980	15.7
161.13214	0.9
162.06784	8.8
163.07549	49.8
163.11198	1.1
164.07899	1.3
175.07602	4.9
177.05513	1.3
178.06250	1.2
179.07056	2.4
180.07872	2.6
181.80948	1.0
189.09160	1.0
191.03410	1.2
201.09122	2.4
201.16301	1.1
204.08020	1.0
219.06465	1.1
219.10185	2.3
219.17523	0.9
222.08862	1.7
237.07401	1.1
237.11128	3.1
237.14835	3.3
242.60992	1.0
250.86421	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.112
Annotation	Carboxyibuprofen
Peak:m/z	Relative Intensity
55.05515	6.4
67.05508	7.1
69.07069	8.9
71.03209	8.3
71.04982	8.3
71.27745	4.0
79.05502	9.9
81.07048	15.4
83.04980	4.5
91.05468	9.9
93.07046	14.1
95.08617	13.3
103.05459	4.0
104.20592	3.7
105.07048	10.8
107.08596	17.4
109.06525	3.9
109.10159	14.8
115.05463	6.1
117.07018	5.1
119.08591	8.5
121.10135	13.3
123.11702	4.3
128.06235	7.4
129.07005	26.3
131.04875	5.2
131.08568	23.0
133.10118	10.9
135.11748	6.9
136.71704	3.4
141.06943	18.9
145.06519	7.3
145.10150	10.0
149.13361	4.2
151.11177	24.6
157.06445	24.5
158.07253	14.5
159.08049	11.7
159.11632	7.1
168.93448	3.9
169.06459	10.4
173.13303	5.8
174.06789	37.5
175.07512	11.6
186.06776	6.3
189.09122	57.3
191.07076	7.5
191.10706	4.4
201.09096	17.1
219.10162	100.0
219.13689	4.0
219.17488	12.4
220.10632	4.9
237.14865	10.8
237.18488	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1121
Annotation	Carboxyibuprofen
Peak:m/z	Relative Intensity
50.91837	3.7
53.03938	3.7
55.01876	13.8
55.05509	9.7
57.07080	5.3
59.05000	3.9
67.05499	20.0
69.03432	18.1
69.07069	10.5
71.05003	7.4
79.05495	20.4
81.07056	27.2
83.04973	7.0
83.08640	4.0
85.02912	8.4
87.04511	5.8
91.05477	30.9
91.59146	4.2
93.07030	36.2
95.04999	10.2
95.08607	73.2
95.09171	6.2
97.06541	5.8
97.99148	3.8
103.05469	4.2
105.07034	68.1
106.06608	3.9
107.04961	7.0
107.06898	6.8
107.08594	44.7
109.06536	11.4
109.10186	17.1
111.04461	11.3
113.05968	3.6
117.07005	19.3
118.06557	5.6
118.07858	3.7
119.08585	44.2
121.06516	10.1
121.10133	52.1
123.08076	65.3
123.11733	5.8
124.08880	5.3
129.07037	7.4
130.07796	12.8
131.08559	20.4
133.06564	3.8
133.10135	70.4
135.04466	5.3
135.08069	26.1
135.11710	10.3
137.13206	4.4
139.11168	6.5
142.07748	7.2
143.08522	4.7
145.06497	9.0
145.10127	100.0
146.06035	11.7
146.10538	3.8
147.11691	58.4
149.06039	5.7
149.09624	50.9
149.13277	4.9
151.11203	22.0
157.10130	8.6
158.07269	5.1
159.08014	8.5
159.11731	8.0
160.08867	17.6
161.13286	3.8
163.09662	7.6
163.11198	27.8
167.10704	4.1
173.09621	71.1
175.11186	59.7
177.05475	17.3
177.09128	12.8
185.10744	4.0
191.07347	4.3
191.08975	16.0
191.10701	73.7
191.12244	5.9
191.17995	4.2
193.12317	9.8
201.09138	15.5
201.16391	4.3
207.44879	3.5
219.06235	15.0
219.10191	52.5
219.13950	3.9
219.17450	7.5
237.07256	6.7
237.09271	10.4
237.11333	17.4
237.14745	19.9
237.18530	13.3
237.22084	5.0
239.88406	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78157	1.2
53.03940	2.0
55.01864	2.7
57.03431	6.3
57.07063	1.9
61.02925	9.5
62.91254	1.1
69.03434	18.4
69.07047	1.1
69.76244	1.8
69.76637	2.9
71.01363	1.3
71.04999	2.8
73.02913	5.0
81.03416	7.7
81.07083	1.7
85.02903	100.0
86.26721	1.1
87.04467	3.3
91.03946	6.0
91.05493	1.9
93.07071	1.5
94.37044	1.1
95.08582	1.8
97.02890	18.2
99.04459	3.9
107.08598	2.3
108.08112	2.7
109.02901	5.2
119.08579	1.5
121.10166	2.2
127.03913	20.2
127.04784	1.9
133.10120	1.6
135.15266	1.1
145.04948	17.5
145.10191	1.7
147.11647	1.4
151.11189	2.6
159.11664	1.8
161.13202	1.3
163.05992	2.2
180.03879	1.2
191.10623	1.5
196.03346	1.3
219.17508	3.7
237.05518	1.5
237.14789	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01875	4.9
55.05512	4.2
56.58012	1.0
57.03440	7.3
57.07068	2.6
59.04998	1.9
61.02923	13.4
67.05506	6.3
69.03429	23.8
69.07059	5.3
71.04993	13.2
71.29088	1.2
71.29458	0.9
73.02908	5.6
73.17316	0.9
79.05487	8.4
80.50401	1.0
81.03413	7.8
81.07057	11.5
83.04974	2.4
83.08603	1.5
85.02905	100.0
85.06552	2.0
87.04471	3.4
91.03947	5.2
91.05462	7.5
93.07047	18.9
95.04972	3.8
95.08604	12.0
97.02892	22.1
97.06530	2.7
97.10156	1.5
99.04460	5.4
99.08096	3.0
102.81582	0.9
103.05480	1.5
105.07029	18.7
106.07408	1.2
107.04951	2.0
107.08591	24.1
109.02874	7.6
109.06527	3.8
109.10146	13.3
111.63865	1.0
117.07005	3.6
119.08590	13.2
120.08115	3.7
121.06512	2.0
121.10133	9.9
123.08080	3.7
123.11702	4.1
125.09610	2.5
127.03922	20.0
127.07541	1.3
127.11205	2.8
131.04895	1.4
131.08603	4.6
133.06453	1.0
133.09213	0.8
133.10124	18.4
133.11058	1.7
135.08055	6.4
135.11702	4.7
137.09641	2.5
139.03894	1.0
139.11197	4.5
143.10628	1.7
145.04951	18.8
145.10120	9.7
146.06056	1.0
147.08076	1.6
147.11703	4.2
149.05980	1.9
149.09607	1.9
149.13261	4.2
151.11180	66.3
152.11513	1.0
153.09059	1.1
159.11729	9.2
161.09663	1.6
161.13272	4.3
163.02164	1.0
163.06075	1.5
163.07524	2.3
163.11180	3.3
163.14871	2.2
165.12706	1.0
171.11594	1.4
173.09708	0.9
173.13298	3.8
174.12834	1.5
175.14911	1.7
177.05470	2.9
177.12785	2.6
177.16330	1.3
179.14331	1.0
181.06549	1.2
189.07301	1.0
189.10957	0.8
189.12729	1.4
191.06966	1.3
191.14275	2.5
191.17943	2.8
193.08530	1.7
201.12848	1.1
201.16371	7.3
219.07942	1.7
219.10294	1.7
219.13820	3.7
219.17412	19.3
237.14857	9.1
237.18483	10.6
237.22043	1.2
238.14386	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1484
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03939	5.7
55.01854	2.3
55.05509	18.1
56.96210	1.6
57.07060	7.9
59.04996	2.3
63.04380	1.8
65.03947	3.2
67.05502	50.1
69.03424	3.8
69.07072	22.9
69.12906	11.8
69.13306	4.0
71.04992	82.6
71.53935	2.1
79.05058	3.3
79.05492	43.7
81.03414	2.4
81.07053	60.1
83.04957	10.2
83.08622	12.2
85.06541	11.3
91.05477	64.8
93.03406	3.8
93.07040	71.2
95.04965	9.2
95.08601	74.5
97.06529	11.2
97.10153	6.8
99.04442	3.8
99.08067	5.1
100.65015	2.3
103.05493	3.5
105.07024	100.0
106.07324	2.7
107.04945	6.0
107.08588	51.0
109.06515	8.8
109.09444	3.4
109.10155	47.5
109.10905	2.8
111.04446	23.8
111.08069	28.5
113.09614	9.6
115.05447	3.4
117.07017	26.9
119.04913	2.4
119.08567	37.4
121.06498	7.0
121.10137	55.6
122.10500	1.9
123.04439	4.1
123.08045	12.2
123.11701	13.4
125.05991	10.3
125.09636	5.0
127.07507	2.5
127.11184	4.2
129.07005	4.6
130.07745	2.4
131.08560	74.3
131.75533	1.9
132.08902	2.4
133.06470	3.0
133.10120	43.0
135.04427	15.2
135.08011	5.6
135.11687	19.3
137.05994	16.5
137.09608	6.5
139.07457	2.5
139.11206	2.4
142.07816	1.9
143.08533	5.4
144.09253	4.7
145.06616	4.2
145.10117	45.4
146.32509	2.1
147.08073	2.9
147.11678	67.6
148.11957	2.6
149.05978	14.8
149.09612	13.0
149.13260	11.5
151.07510	4.3
151.11176	23.0
155.08566	3.9
157.10143	6.3
158.10898	2.2
159.08060	6.8
159.11691	17.1
161.09610	3.0
161.13234	8.5
163.07553	18.5
163.11153	15.0
163.14786	7.7
165.06982	2.4
165.12772	4.8
167.08533	2.4
167.10704	9.3
167.41252	2.0
173.13252	77.8
175.11185	20.8
175.14798	5.9
177.09120	20.7
177.12750	9.7
177.16402	7.1
179.08588	2.5
181.08540	2.1
181.10036	3.9
181.12180	5.2
183.11717	2.9
189.16321	2.4
191.14285	21.1
191.17950	4.5
192.67572	2.0
193.12228	12.9
195.11801	2.2
201.12801	18.9
201.16446	11.0
209.09637	2.4
209.13332	2.4
210.00778	1.9
219.13811	58.1
219.17342	23.4
220.14020	2.3
237.09094	3.8
237.12674	9.9
237.14778	4.9
237.16553	5.5
237.18488	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1484
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03938	2.7
54.02079	1.1
55.01861	5.3
55.05510	37.2
55.57161	1.4
57.03419	2.1
57.07058	4.1
59.04995	2.9
62.40426	1.1
65.03938	2.5
66.36920	1.2
67.05499	20.0
68.05782	1.2
69.03425	13.6
69.07063	15.6
71.04988	11.6
71.29417	1.3
71.29782	1.7
79.05492	21.1
81.07048	28.0
83.04984	15.4
83.08625	3.2
85.02879	1.8
85.06536	13.5
91.05474	28.6
93.07041	53.4
95.04958	24.3
95.08604	26.4
97.06528	10.2
99.08049	2.8
103.05437	3.4
105.07027	42.5
107.04945	3.8
107.08590	50.7
108.08902	1.5
109.06516	20.6
109.10149	21.3
111.04406	2.4
111.08070	7.6
113.09646	28.7
115.05444	2.7
117.07017	7.9
119.08575	41.9
121.06496	37.7
121.09294	2.1
121.10144	31.7
123.08066	18.0
123.11676	6.3
125.05975	4.0
125.09611	1.9
127.11207	3.3
129.06975	4.0
131.04877	1.9
131.08569	17.0
133.06479	3.0
133.10127	38.7
135.08047	43.9
135.11687	12.3
137.05954	3.1
137.09608	16.8
137.13194	1.7
139.07552	1.8
139.11169	2.5
142.07832	1.2
143.08551	6.8
144.09277	2.3
145.10114	7.8
146.07240	1.8
147.08049	4.8
147.11671	16.8
149.09616	36.9
149.13274	9.2
151.07529	7.1
151.11194	14.7
153.09091	22.9
159.08047	5.6
159.11694	18.3
161.09613	32.8
161.13239	10.6
162.10126	2.0
163.07550	6.2
163.11153	4.2
165.09120	4.2
165.12715	3.9
172.08820	2.7
173.09587	3.6
173.13266	11.2
175.07611	1.6
175.11203	2.6
177.09027	3.8
177.12738	23.5
179.10667	15.9
179.14302	2.5
180.11441	2.4
181.08562	2.0
181.12181	2.1
186.10411	4.9
189.12727	5.7
191.06993	2.8
191.14319	5.4
195.13794	7.7
201.12708	2.6
201.16406	2.6
207.13747	9.1
209.15370	6.0
219.06410	1.4
219.10196	2.0
219.13853	12.3
219.17392	5.7
237.11058	2.9
237.14845	100.0
237.18352	7.0
238.15277	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.05511	6.1
57.07061	1.5
58.11332	0.8
59.05010	2.4
67.05505	12.2
69.07071	9.1
69.41026	5.1
71.04992	2.9
79.05487	6.7
79.36610	0.8
81.07061	52.9
83.05022	1.3
83.08643	5.7
91.05479	3.3
93.07049	7.3
93.24424	0.9
95.04970	1.6
95.08611	20.7
97.06534	8.2
97.10167	6.9
99.08102	1.9
105.07035	4.9
107.08607	8.3
109.06502	5.7
109.10156	17.8
111.08096	3.6
117.07038	2.5
119.08570	6.8
121.06499	1.0
121.10145	9.5
123.08076	1.9
123.11710	4.2
125.09653	1.2
126.04619	1.6
127.11198	2.0
128.06198	1.1
131.08563	2.7
133.10144	3.0
135.08041	1.0
135.11694	7.7
137.09604	9.4
139.05458	2.3
139.11156	3.5
143.08466	0.9
145.06532	1.2
145.10141	9.7
145.18895	0.8
147.11676	1.8
149.09650	2.1
149.13243	5.5
151.05493	1.1
151.11169	1.4
152.06207	22.7
153.07007	16.9
153.12691	1.8
155.04953	0.9
157.10110	1.0
159.11684	8.2
161.13255	2.6
163.05412	1.8
163.11194	2.9
165.07011	15.7
166.04178	2.8
166.07771	13.9
167.04935	1.3
167.08578	2.1
169.06500	4.6
173.13229	1.7
175.14821	1.3
177.07021	2.6
178.07773	4.8
179.04916	3.4
179.06273	1.2
179.08539	6.0
179.14333	1.4
180.05768	2.9
181.02812	0.9
181.06467	25.4
181.10100	4.0
182.07170	1.9
186.14070	1.2
189.07066	1.6
190.07819	2.4
191.08580	3.1
191.17967	7.4
193.06480	1.4
194.03664	4.6
194.07280	22.6
195.04367	2.0
195.08037	6.3
201.16376	16.7
205.06461	1.6
206.07220	2.1
207.04404	3.1
207.08041	3.9
208.05045	1.5
208.08553	2.4
209.05974	27.4
209.09608	19.1
209.11580	1.9
209.18982	4.1
210.06696	4.2
210.10179	1.7
212.04814	1.0
213.05428	0.9
219.08015	1.3
219.17455	16.0
221.05972	3.0
222.03198	3.1
222.06709	18.0
223.03978	4.3
223.07468	4.4
227.06972	1.4
236.07919	2.0
237.05467	100.0
237.09085	91.8
237.12872	2.3
237.14815	2.5
237.18471	9.6
238.06186	19.1
238.09724	9.3
240.04190	1.5
255.02896	0.9
255.03633	1.1
255.06480	11.2
256.07104	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	Sirenin
Peak:m/z	Relative Intensity
52.50058	2.2
55.01858	2.6
55.05271	2.0
55.05505	14.3
55.95525	2.0
57.03444	4.1
57.07070	3.4
67.05507	16.0
69.03432	33.7
69.05903	10.4
69.06326	9.4
69.07079	14.1
71.04596	3.8
71.04992	68.3
79.05500	14.5
81.07059	64.4
83.04952	3.2
83.08617	8.6
85.06535	4.4
91.05482	12.2
93.07047	27.3
95.04964	8.8
95.08607	20.8
97.06534	9.0
97.10168	4.3
99.08092	20.2
102.24768	2.3
105.07031	35.7
107.08599	32.7
109.06529	30.0
109.10156	28.1
111.08099	5.3
119.08583	13.8
121.10132	18.4
123.08067	6.5
123.11713	20.7
125.09608	17.4
127.07552	8.1
127.11193	76.4
131.08571	5.7
133.09209	3.7
133.10133	45.0
135.08047	2.5
135.09726	2.4
135.11690	8.8
137.09624	2.6
139.11183	9.5
143.10706	13.9
145.10123	29.2
147.11673	8.3
149.09567	2.4
149.13292	2.5
151.07593	15.5
151.11183	100.0
155.10661	24.0
156.40521	2.3
159.11691	6.5
161.13231	8.0
161.14560	2.3
163.11188	4.1
171.99258	2.1
173.13194	4.0
177.12744	2.7
177.16428	2.1
191.17921	3.9
201.16385	10.0
215.41731	2.0
219.17441	17.8
237.12671	5.0
237.14821	3.7
237.18475	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1847
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.12841	1.9
55.05508	10.4
57.03424	3.8
57.07064	2.3
61.54694	2.0
63.80429	2.4
67.05501	10.9
69.03431	28.1
69.07059	7.6
69.37527	2.1
69.91977	1.9
70.62849	6.2
71.04990	68.4
71.52704	2.0
72.94580	2.0
79.05490	10.5
81.07053	44.8
83.05019	1.9
83.08606	2.9
85.06538	2.6
91.05478	13.6
93.07050	18.1
93.34668	2.1
95.04963	7.2
95.08597	12.1
97.06521	5.2
97.10165	4.2
99.08102	16.2
101.02950	2.1
105.07030	28.1
107.08592	22.8
109.06519	27.6
109.10152	24.5
111.08063	4.1
117.07067	2.3
119.08594	13.8
121.06508	2.1
121.10167	11.6
123.08043	6.2
123.11692	16.5
125.09607	11.5
127.07575	5.4
127.11191	63.2
131.08554	4.8
133.09204	3.6
133.10129	39.8
135.11745	5.2
139.11156	8.1
143.10690	10.9
145.10130	23.6
147.11679	7.2
151.11179	100.0
152.11526	3.3
153.07011	2.8
155.10655	22.8
159.11682	7.4
161.13268	3.1
165.07027	2.8
167.08646	3.5
179.08553	3.8
179.14276	3.4
181.10065	3.6
190.70218	2.3
193.10114	4.6
195.11642	5.1
201.16402	8.9
207.11601	4.6
208.12431	2.8
209.13264	2.4
209.99934	2.0
219.17516	7.4
222.13937	4.2
237.05501	5.0
237.12959	15.1
237.16304	18.4
237.18492	13.7
238.06386	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	Atlantolone
Peak:m/z	Relative Intensity
53.03947	2.9
55.05513	12.0
55.18530	1.4
55.49110	1.3
57.07062	5.2
59.72998	1.3
67.05505	14.9
69.03434	2.7
69.06163	12.9
69.07064	17.0
71.04984	4.0
79.01949	1.4
79.05505	20.4
81.07054	30.5
83.04965	4.8
83.08602	7.3
85.06536	1.8
91.05486	5.6
93.07050	32.7
95.04990	1.6
95.08601	40.8
97.10168	3.4
99.04438	3.1
105.07038	13.3
107.08596	100.0
108.08928	2.1
109.06512	3.4
109.10156	37.5
111.08064	2.8
111.11740	1.6
115.07556	1.5
119.08566	7.5
121.10149	27.5
123.08092	2.7
123.11736	11.6
125.05973	3.0
125.09670	2.3
131.08504	2.6
133.10123	4.7
135.08061	2.5
135.11681	16.1
139.11099	2.1
145.10115	6.0
147.11739	1.5
149.09631	5.0
149.13226	4.2
151.11188	4.1
152.59296	1.3
153.06989	2.2
159.11702	9.5
161.13268	6.3
163.11183	31.5
163.14815	24.1
165.07004	3.2
166.07729	2.7
167.08549	2.7
167.10735	1.9
177.12723	4.9
179.08513	5.0
179.14282	2.4
180.09306	3.4
181.08524	1.6
181.10155	3.7
181.12222	16.2
191.14244	1.9
191.17960	3.3
193.10130	4.1
194.10979	3.8
195.11691	4.4
195.13632	1.4
201.06906	1.4
201.16434	6.5
207.08018	1.4
207.11716	1.6
209.09746	2.3
209.11630	3.0
209.13358	2.3
219.17445	17.5
221.09814	1.6
222.10432	8.2
222.13963	2.2
223.61720	1.6
237.05403	3.9
237.08968	4.2
237.12801	23.0
237.16344	13.9
237.18513	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	Sirenin
Peak:m/z	Relative Intensity
55.01875	0.6
55.05508	2.4
57.03436	0.5
57.07067	0.8
59.04994	0.4
63.84320	0.3
67.05505	3.6
69.03417	1.5
69.07072	2.3
69.42018	2.6
71.04985	5.1
74.61298	0.4
77.96142	0.4
79.05494	4.9
81.07055	9.3
83.04982	0.7
83.08626	1.0
85.06535	0.5
91.05483	5.5
93.07045	15.5
95.04952	1.1
95.08609	7.5
97.06533	2.3
97.10191	0.6
99.08094	3.0
105.07030	13.3
107.04973	0.5
107.08593	27.4
108.08906	0.7
109.06537	2.7
109.10152	9.4
110.10483	0.5
111.08070	1.7
113.09675	0.6
117.07012	1.7
119.08582	5.0
121.06544	2.0
121.10143	4.5
123.08080	2.2
123.11707	3.8
125.09638	1.5
127.07552	0.4
127.11198	1.1
129.07005	0.9
131.08580	2.5
133.10126	11.6
135.08066	3.9
135.11700	2.5
137.09590	0.4
139.11168	4.2
141.07057	0.4
144.05705	0.5
145.10124	5.0
147.11703	3.9
149.00816	0.5
149.09616	1.5
149.13255	1.8
151.11179	100.0
152.11516	2.5
159.08101	0.9
159.11696	6.0
161.13243	2.3
163.11241	2.9
163.14778	2.9
165.12761	0.8
165.79298	0.4
173.13264	1.5
175.14841	0.7
177.12718	2.0
177.16362	0.8
179.10616	0.8
181.12300	0.4
189.16467	0.5
191.06978	0.5
191.14314	1.2
191.17923	1.2
201.16376	4.3
201.40413	0.4
212.29546	0.4
217.17346	0.4
219.10196	1.3
219.13898	0.9
219.17445	13.0
220.17850	0.6
234.01614	0.4
237.14876	0.9
237.18481	6.8
238.18625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03938	3.2
55.01873	4.8
55.05512	31.6
57.03440	3.1
57.07080	11.7
59.05012	12.3
67.05504	35.1
67.05778	2.7
69.03439	7.6
69.07065	39.6
70.01607	10.1
71.04996	44.0
73.06577	3.1
73.89311	2.5
79.05485	33.7
79.05899	2.6
81.07059	89.6
81.07522	5.9
83.05006	15.4
83.05457	2.5
83.08641	7.9
85.06556	7.4
89.06030	4.1
91.05486	32.0
93.07045	68.7
93.07623	3.8
93.47379	2.4
95.04967	100.0
95.05547	5.4
95.08605	66.3
97.06535	25.8
97.10191	8.8
99.04512	4.0
99.08126	11.5
101.06030	3.8
103.90439	2.8
105.07029	65.3
107.08591	82.5
107.09271	4.6
109.06566	17.2
109.10155	59.6
111.08092	8.2
113.06020	3.4
113.09589	3.1
115.05448	3.5
117.07062	7.9
119.08579	34.4
121.06532	7.8
121.10155	59.2
123.08091	11.3
123.11713	28.0
123.12457	3.0
125.09632	13.7
127.07600	5.4
127.11234	10.0
129.07103	2.7
130.07834	2.8
131.08601	18.3
133.10132	97.2
135.08060	13.6
135.11694	35.6
137.09663	11.1
137.13315	3.9
139.11215	9.1
141.09157	3.8
143.10741	4.6
145.10130	30.0
147.11697	20.0
149.09671	11.0
149.13263	39.4
151.11182	72.6
151.12302	4.9
153.12813	8.3
155.10643	2.7
159.11703	31.6
159.48428	3.4
161.13231	17.8
163.07570	3.1
163.11212	14.1
163.14841	3.5
165.12753	4.8
173.13258	9.0
175.14902	10.9
177.12782	7.4
177.16365	6.7
179.14365	3.3
181.12227	2.7
189.16434	10.1
191.07011	14.1
191.14420	3.5
191.17961	18.1
193.15973	4.0
197.52870	2.6
200.72252	2.6
201.16359	26.1
207.17577	5.5
219.10164	4.9
219.13985	3.1
219.17436	54.7
232.16400	2.6
237.14848	11.2
237.18495	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03942	6.5
53.45397	3.6
55.01875	6.7
55.05513	26.1
57.03440	3.9
57.07078	7.4
59.05011	8.2
65.03939	4.5
65.77763	3.5
67.05507	42.3
69.03439	14.2
69.07069	44.3
70.00899	12.9
71.04636	6.5
71.04993	49.7
71.55458	3.0
79.05500	31.6
81.07063	100.0
82.66785	3.9
83.04994	16.6
83.08632	13.2
85.02860	3.7
85.06556	11.5
89.06032	4.7
91.05468	33.8
92.72051	3.3
93.07052	84.0
95.04975	82.7
95.08614	72.0
97.06547	28.9
97.10191	6.8
98.22766	4.1
99.04447	5.0
99.08072	15.8
103.05505	5.4
105.07038	86.1
106.07356	3.5
107.08601	99.1
107.94296	3.3
109.06534	23.3
109.10157	54.4
111.08109	13.1
113.06008	4.7
115.05482	3.4
117.07037	14.0
119.08594	41.7
121.06521	10.7
121.10154	71.0
122.39442	3.9
123.08083	12.6
123.11710	28.8
125.08826	3.0
125.09599	15.3
125.81503	3.4
127.11190	16.7
129.07008	7.3
130.07764	3.5
131.04852	3.5
131.08594	19.4
133.06541	5.1
133.10141	88.3
135.08034	20.5
135.11713	42.6
137.09622	9.6
137.13269	6.2
139.11238	11.8
143.08583	3.6
143.10757	5.0
145.10133	37.3
147.08037	6.2
147.11713	23.5
149.02367	6.2
149.09645	10.9
149.13258	34.7
151.11186	74.9
151.12302	5.0
153.12752	6.2
155.10686	4.7
159.08095	7.4
159.11726	33.8
161.06030	4.1
161.09659	4.8
161.13303	19.2
163.07625	6.8
163.11200	20.1
163.14827	8.9
165.12851	4.9
173.09618	5.5
173.13275	14.3
175.14847	11.5
177.09203	4.2
177.12778	9.9
177.16405	8.8
179.37881	3.0
181.12274	5.1
189.09077	4.9
189.16467	10.1
191.07031	28.6
191.10707	4.6
191.14363	8.6
191.17995	11.5
193.08670	3.6
201.16364	30.1
207.17549	5.0
219.10202	11.0
219.13887	9.8
219.17471	49.7
237.11406	6.1
237.14806	16.8
237.18500	79.4
238.18869	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	(+)-Curcudiol
Peak:m/z	Relative Intensity
53.03931	0.5
55.01863	0.5
55.05515	3.2
57.03431	0.4
57.07074	1.0
59.05004	0.4
67.05504	5.3
69.03436	2.0
69.07068	3.8
69.17712	3.0
71.04988	1.6
79.05495	2.3
81.07059	8.9
83.04993	2.3
83.08615	1.2
85.06551	1.0
91.05466	1.8
93.07042	5.8
95.04973	0.6
95.08611	5.7
97.06542	2.6
97.10208	0.4
99.04438	1.0
99.08131	0.5
105.07036	3.3
107.08598	4.9
109.06522	3.9
109.09438	0.7
109.10156	9.2
111.04462	0.5
111.08069	2.0
117.07004	1.2
119.08592	4.2
121.06506	2.6
121.10146	4.5
123.08080	4.5
123.11706	9.5
125.09648	0.5
130.07831	0.6
131.08575	1.9
133.10109	1.8
135.08063	5.6
135.11707	4.2
136.08797	0.4
137.09589	1.6
143.08586	0.4
145.10106	3.6
147.08017	0.4
147.11676	1.4
149.09616	2.9
149.13275	0.9
150.10323	0.4
151.11169	1.5
157.10167	0.5
159.11688	4.0
161.09645	1.6
161.13277	2.0
163.11177	8.0
167.14330	0.8
173.13280	0.6
175.11183	0.7
175.14841	1.0
176.10048	0.4
176.11949	1.5
177.12767	1.8
177.16362	0.6
179.14304	3.1
189.12784	0.5
191.14330	0.4
194.07181	0.4
195.08250	0.4
201.12778	0.9
201.16422	1.8
204.15146	0.7
219.17444	100.0
220.17763	3.3
237.09175	0.8
237.12712	1.5
237.14796	1.0
237.18498	8.9
238.14166	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	Carissone
Peak:m/z	Relative Intensity
55.01878	1.1
55.05508	6.9
56.71463	0.8
57.07061	2.3
59.05019	0.8
63.96085	0.8
67.05502	6.8
68.35688	0.8
69.03425	1.4
69.07069	11.2
71.04993	32.4
79.05492	3.4
81.07057	19.9
83.04981	6.2
83.08620	6.4
85.06547	7.2
88.90287	0.7
91.05481	2.8
93.07044	12.9
95.04969	2.3
95.08605	28.2
97.06521	3.3
97.10163	1.7
99.04452	26.2
99.08073	1.4
101.06007	3.5
105.07022	13.3
105.45705	0.9
107.08591	16.5
109.06529	5.3
109.10156	13.2
109.10839	1.6
111.08064	5.2
117.06987	2.1
119.07773	1.4
119.08581	16.1
121.05650	1.0
121.06522	1.6
121.10150	14.0
123.08064	10.2
123.11701	8.6
125.09622	1.4
127.07542	0.8
131.07645	0.8
131.08560	3.1
133.10152	6.8
135.07965	0.9
135.11719	6.3
137.09628	2.2
137.12306	0.8
137.13206	4.0
140.83348	0.9
145.10120	6.9
147.11665	0.9
149.09575	3.5
149.13286	2.5
149.64417	0.8
149.71654	0.8
151.11179	34.6
151.14781	3.2
159.11685	10.9
161.13252	22.3
163.11217	5.0
163.14819	0.9
167.10684	4.0
167.14322	17.5
175.14796	1.9
177.12735	2.0
177.16400	2.8
179.14308	100.0
180.14615	2.8
181.12230	2.9
191.17909	1.4
201.16389	8.3
219.17444	9.3
237.18478	39.0
249.52209	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Carissone
Peak:m/z	Relative Intensity
51.99990	1.1
53.03934	1.2
55.01864	2.0
55.05506	10.0
57.07071	2.6
59.04986	3.3
67.05509	12.3
69.03423	3.6
69.07076	14.9
69.07424	2.1
69.21497	9.5
71.04995	34.6
71.08607	1.4
72.43873	1.4
73.64445	1.3
77.83566	1.0
79.05495	8.0
80.85358	1.2
81.07059	35.7
81.26640	1.4
83.04964	7.3
83.08638	6.8
85.06546	7.6
91.05471	5.6
93.07042	26.0
95.04949	2.0
95.08607	39.5
97.06514	5.3
97.10146	3.6
98.23373	2.3
99.04462	20.0
99.08084	2.9
101.05994	3.7
105.07038	18.5
107.07948	2.0
107.08603	24.8
109.06522	9.7
109.10155	22.1
111.08070	5.7
113.06008	1.2
117.07011	2.2
119.08582	21.6
121.06505	2.2
121.10138	24.1
123.08063	11.5
123.11710	15.4
125.09627	1.4
127.07567	1.9
127.11185	3.4
131.08549	5.7
133.10123	11.4
135.08003	2.5
135.11679	9.3
137.09598	4.4
137.13243	5.0
139.11150	2.9
145.10085	9.4
147.11665	3.5
149.09625	3.2
149.13237	5.7
151.11189	40.2
151.14784	1.8
153.05450	1.9
159.11700	13.9
161.13263	20.9
163.11214	6.8
163.14810	2.1
167.10654	5.3
167.14301	15.4
173.13258	2.7
175.14825	2.8
177.12715	1.9
177.16408	4.2
179.14310	100.0
180.14694	3.1
181.08643	1.4
181.12274	3.4
191.17937	4.5
194.07256	2.4
195.01836	1.4
201.16382	11.7
219.17410	19.6
222.06773	2.7
222.10291	1.7
237.09113	6.8
237.12866	2.2
237.14796	4.0
237.18480	52.3
238.18732	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.10293	2.9
55.01863	3.8
55.05510	17.7
57.07075	6.7
59.04991	5.2
61.37739	3.4
63.21304	2.6
67.05508	27.1
69.03416	16.3
69.07081	24.5
69.14832	22.3
71.04999	31.3
78.69898	2.8
79.05496	29.6
81.07059	100.0
83.04976	4.3
83.08607	7.3
85.06536	7.5
91.05477	23.7
93.07050	45.1
95.04978	9.5
95.08616	46.9
97.06507	13.4
97.10160	7.4
99.08107	35.2
105.07031	42.8
107.08592	56.7
109.06509	13.5
109.10162	45.5
111.08079	10.4
111.11697	4.2
116.05003	2.7
117.07021	4.4
119.08583	29.2
121.06473	7.2
121.10157	39.1
123.08072	8.3
123.11720	13.9
125.09635	10.5
127.07555	18.6
127.11177	22.4
131.08571	11.0
133.10123	48.1
135.08031	7.4
135.11693	24.8
137.09586	5.7
139.11220	5.5
143.10603	5.1
145.10120	23.5
147.11647	16.4
149.09653	6.9
149.13252	17.0
151.11189	49.9
152.06178	5.3
153.06993	4.2
155.10667	4.9
156.13814	4.6
159.11693	21.3
161.13254	17.2
163.11194	12.4
163.14810	4.6
165.07016	8.6
165.12787	5.8
166.07834	3.8
169.12238	3.9
173.13272	4.8
175.14815	6.5
177.12769	6.8
177.16417	6.8
181.06592	4.3
181.10117	3.5
191.07065	4.4
191.14325	4.9
191.17960	9.2
193.03165	3.5
194.07262	5.6
201.16412	22.4
209.06091	6.6
209.09521	15.3
219.13985	3.4
219.17473	62.7
222.06844	6.1
223.03691	3.0
237.05417	16.2
237.09169	43.2
237.12675	7.5
237.14842	11.6
237.18495	47.5
238.06194	7.2
238.09732	5.4
249.85895	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Atlantolone
Peak:m/z	Relative Intensity
55.05510	6.8
59.05003	100.0
67.05501	7.1
67.36636	2.3
69.07066	6.6
69.36294	14.0
71.04990	21.2
72.22195	1.9
77.77318	1.8
79.05495	16.0
81.07057	24.8
83.04984	5.0
83.08649	3.8
85.06557	6.1
89.20617	1.9
91.05477	11.0
93.07041	40.4
95.05011	2.0
95.08600	17.5
97.06538	4.4
98.23320	4.0
99.04472	14.0
105.07030	64.0
107.08591	13.0
109.06545	3.1
109.10160	16.9
111.08080	3.3
117.07040	2.0
119.08582	25.7
121.10148	52.0
123.08074	6.8
123.11740	5.2
131.08647	1.9
133.10124	11.4
135.11684	8.0
137.09624	2.7
137.13289	2.6
145.10091	5.6
149.09631	5.2
151.11127	17.3
151.14760	2.5
155.16087	2.1
159.11694	13.0
161.13263	47.9
163.11145	4.0
164.22105	2.1
165.07001	5.2
167.14302	12.6
179.08548	5.8
179.14331	59.6
179.15970	2.8
180.09520	2.8
181.10020	2.1
194.10963	4.0
195.11707	7.1
201.16411	4.2
201.84995	1.9
207.08107	2.2
209.13254	1.9
219.17387	15.8
222.10248	3.9
222.14171	2.5
235.57620	1.8
237.12782	16.1
237.16376	9.4
237.18484	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	Sirenin
Peak:m/z	Relative Intensity
51.88977	1.7
55.01874	3.7
55.05509	5.0
59.05015	2.0
61.02925	2.8
67.05516	5.2
67.55082	1.7
69.07068	8.6
69.26815	5.1
69.27246	6.9
71.04057	1.8
71.05000	15.5
79.05499	4.2
81.07068	6.4
83.08611	3.2
85.06546	78.7
89.35513	1.8
91.05485	7.6
93.07028	11.7
95.08619	15.8
98.22600	2.8
105.07034	24.3
107.08595	12.6
109.10172	5.3
111.08125	4.0
117.07017	5.4
119.08584	29.4
121.10143	14.4
125.09618	10.0
131.08566	8.9
133.10124	12.2
135.11705	11.9
137.13319	1.6
144.09349	3.3
145.06479	1.7
145.10091	10.4
149.02356	5.2
149.13254	5.0
159.11693	100.0
160.11975	4.5
161.13266	29.2
163.07495	2.7
163.11194	2.4
165.07013	5.2
166.07845	3.3
167.07037	3.6
167.08527	3.5
173.13306	2.7
175.14828	11.9
177.12767	10.1
177.16356	14.6
179.08604	3.2
179.14291	4.3
181.10098	5.1
182.07292	3.1
191.08549	3.0
191.14288	4.3
193.05092	2.2
194.07277	3.8
194.10922	2.3
195.08014	3.9
195.11729	2.6
201.16382	60.4
201.18164	3.5
205.12209	8.4
209.09645	8.1
209.13240	3.9
219.11790	3.3
219.17432	27.5
222.10399	6.1
237.09309	14.9
237.12770	23.7
237.14842	4.3
237.18581	6.0
238.09651	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Sirenin
Peak:m/z	Relative Intensity
55.05513	5.0
57.07067	4.3
64.90405	1.6
67.05509	7.2
69.03432	1.9
69.07063	7.9
70.62308	2.1
71.04993	100.0
71.31126	2.7
73.88103	1.5
79.05511	4.2
81.07056	18.1
83.04985	3.3
83.08617	1.9
85.06571	1.6
88.38576	1.5
89.06036	27.3
91.05489	5.3
93.07041	29.2
95.08601	6.4
97.06541	2.6
105.07021	13.7
107.08589	13.9
109.06532	1.9
109.10143	11.5
111.04435	3.8
111.08118	3.2
118.70356	1.8
119.08559	13.3
120.95300	2.0
121.10146	11.6
123.11734	3.5
127.11194	22.1
131.08598	3.0
133.10155	6.3
135.11667	1.7
145.10109	14.2
147.11688	41.0
148.12041	2.4
149.09622	3.4
149.13254	63.0
151.11189	5.8
153.05447	3.1
159.11700	5.8
161.13249	3.2
165.07036	2.0
167.14355	1.9
177.09126	3.2
179.08530	2.2
179.14334	7.7
181.12221	2.3
191.10739	2.6
193.10103	3.6
195.11691	4.2
198.82420	2.0
201.16420	4.9
209.09973	2.1
209.11659	11.9
209.13351	1.8
219.17422	40.1
222.10445	1.8
237.09212	3.9
237.12880	8.7
237.16396	10.8
237.18533	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03937	1.4
55.01863	1.3
55.05510	14.6
57.07072	3.3
59.04995	5.9
65.03928	1.4
67.05507	23.4
69.06729	1.4
69.07072	20.1
71.04990	5.3
71.08643	2.7
71.32471	0.9
79.05495	16.8
79.64764	0.9
81.07059	100.0
82.07416	1.1
83.04982	2.3
83.08630	11.1
85.06545	3.9
91.05482	5.7
93.07053	17.8
95.04985	5.1
95.08610	43.1
97.06533	13.3
97.10167	12.3
99.08092	6.0
105.07025	10.5
107.04969	1.4
107.08601	16.7
109.06524	10.3
109.10161	42.7
111.08088	6.2
111.11755	1.5
111.38465	0.9
117.07008	4.6
119.08573	13.6
121.06519	2.6
121.10153	18.8
123.08073	3.8
123.11707	6.3
125.09673	2.6
127.07602	2.3
127.11181	2.7
130.07790	2.1
131.08604	6.3
133.10124	5.6
134.32942	1.1
135.08133	1.7
135.11681	16.2
136.08868	0.9
137.09621	22.4
139.05495	1.3
139.11185	11.1
143.08531	1.2
145.10129	19.8
147.11723	3.0
149.09648	2.8
149.13248	12.1
151.11195	3.3
151.14815	2.1
152.06238	3.9
153.06976	3.8
153.12772	3.5
155.10648	1.9
157.10133	1.9
159.11693	19.3
161.13237	6.6
163.11182	4.3
165.06967	1.3
166.07748	1.7
167.14346	1.4
173.13274	2.8
175.14857	1.6
177.12781	3.2
177.16394	1.2
179.14304	1.8
181.06520	4.2
181.10100	1.3
186.14063	1.7
191.17946	21.2
192.15144	1.2
192.18335	1.5
194.07265	3.5
195.08012	1.5
195.17422	1.1
201.16391	37.8
209.05923	5.4
209.09753	1.5
209.11757	2.8
209.18977	9.1
219.17451	33.8
220.14459	1.3
222.06697	2.6
237.05484	19.1
237.09131	12.5
237.12770	1.5
237.14819	1.9
237.18492	21.9
238.06168	4.1
255.06593	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	10-Sesquigeranic acid
Peak:m/z	Relative Intensity
52.86995	2.5
55.01862	4.7
55.05505	8.4
57.07079	13.5
59.05020	3.3
67.05508	12.5
69.07066	17.0
71.01350	2.3
71.04998	12.3
79.05493	11.4
81.07056	21.6
83.04990	6.3
83.08613	8.2
84.11047	2.3
85.06534	13.4
91.05495	7.0
93.07046	20.2
95.04944	4.6
95.08604	100.0
97.06529	6.1
99.04467	5.4
105.07004	22.5
107.08593	45.3
109.06519	4.8
109.10138	17.2
111.04458	12.1
111.08066	8.4
113.09659	5.9
118.06560	2.8
119.08566	19.9
121.10140	16.3
123.08075	4.6
123.11709	4.3
131.08516	2.6
132.98705	3.6
133.10139	12.3
134.51955	2.6
135.11694	11.4
137.09636	4.3
139.05412	6.1
139.11182	3.6
145.10097	9.9
149.09625	3.5
149.13280	5.4
151.11244	2.8
152.06270	3.1
153.05472	2.4
153.06998	6.7
159.11688	19.8
161.13290	20.3
163.11174	5.4
163.14874	2.9
165.06973	4.3
166.07765	2.8
167.04895	2.9
167.86478	2.6
175.14842	4.0
177.12782	4.1
177.16371	27.3
177.33940	2.7
179.08546	3.0
179.14322	9.0
181.04971	3.8
181.06471	6.9
182.10976	3.1
191.10692	5.6
191.17970	4.0
195.11732	4.0
199.03946	2.8
201.16399	16.4
207.08090	2.5
207.11615	6.0
209.05930	5.0
209.09911	2.7
209.11719	14.6
210.06754	6.3
219.10118	3.3
219.17426	20.9
222.13852	3.6
223.03746	3.4
237.05414	20.4
237.09085	6.1
237.12885	3.7
237.14449	3.1
237.16393	13.0
237.18527	22.1
238.06194	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Carissone
Peak:m/z	Relative Intensity
55.01865	1.1
55.05509	6.6
57.03428	0.8
57.07062	3.1
59.04989	1.4
59.87479	0.7
61.31398	0.6
62.76392	0.8
67.05505	6.5
69.03414	1.5
69.07069	10.3
69.18828	5.3
71.04998	26.9
79.05482	3.8
81.07059	15.4
83.04986	6.7
83.08624	5.6
85.06550	6.4
91.05475	3.8
93.07049	14.4
95.04940	1.1
95.08611	24.6
96.45346	0.8
97.06532	4.1
97.10148	1.7
99.04459	18.2
101.06037	3.3
105.07040	9.6
107.08603	14.8
109.06538	6.2
109.09442	1.0
109.10164	12.7
109.10904	1.1
111.08098	4.3
111.08738	0.9
117.07002	1.4
118.29395	0.7
119.08584	17.3
121.10156	12.7
123.08071	8.3
123.11697	7.3
125.09634	1.1
131.08556	2.5
133.10130	5.8
134.95935	0.8
135.11699	7.2
137.09631	2.0
137.13237	4.5
145.10115	4.0
147.11711	1.5
149.09636	3.8
149.13255	3.0
151.11191	30.7
151.14841	2.4
159.11696	10.9
161.13271	19.5
163.11194	4.9
167.10698	3.9
167.14328	17.5
175.14832	2.0
177.12729	1.4
177.16409	2.4
179.14316	100.0
180.14622	3.5
181.12233	2.7
191.17902	1.5
191.71596	0.7
201.16389	7.8
209.11717	1.9
219.17451	11.7
219.19504	1.2
237.09169	1.4
237.18504	41.2
238.18800	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	Carissone
Peak:m/z	Relative Intensity
53.03950	1.4
55.01881	1.7
55.05510	7.6
57.07077	2.4
57.40467	1.0
59.05008	1.7
61.18896	1.1
67.05516	9.6
69.03432	2.2
69.07074	12.8
71.04600	2.0
71.04996	35.9
71.30634	1.5
72.49163	1.2
79.05503	6.0
81.03400	1.1
81.07064	24.9
83.04991	9.8
83.08617	7.6
84.61833	0.9
85.06545	6.8
91.05498	5.7
93.07053	17.4
95.04979	2.6
95.08611	29.2
96.66830	1.0
97.06546	5.2
97.10173	1.3
99.04453	17.2
101.06014	4.2
105.07036	16.0
107.08601	19.3
109.06533	5.4
109.10159	17.2
110.64944	1.0
111.08062	5.3
113.05960	1.2
117.07023	1.2
119.08575	17.9
121.10146	15.8
122.78762	1.1
123.08070	12.3
123.11709	10.2
127.07527	1.1
131.08595	3.2
133.10133	6.9
135.11700	7.0
137.09631	3.2
137.13293	5.2
145.10152	5.5
148.32146	1.0
149.09616	3.9
149.13277	4.7
151.11194	35.8
151.14828	2.0
151.50591	1.1
159.11693	10.6
161.13271	22.8
163.11174	5.8
165.06993	2.2
166.07825	1.5
167.08562	1.2
167.10670	4.8
167.14317	15.8
175.14816	2.3
177.16422	3.2
178.07655	1.3
179.08586	2.4
179.14314	100.0
180.09302	1.8
180.14709	2.0
181.10147	3.1
181.12314	2.5
191.18018	2.0
193.10103	3.7
194.10912	3.4
195.11691	8.4
196.12120	1.1
198.82419	1.2
201.16359	7.5
207.11682	3.7
208.12386	2.6
209.09724	1.9
209.13248	2.9
219.17416	11.1
222.10378	3.0
222.14073	3.0
237.05450	3.5
237.09012	4.2
237.12918	10.2
237.16367	17.5
237.18535	39.1
238.18933	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Godotol A
Peak:m/z	Relative Intensity
55.01864	5.5
55.05514	11.7
55.11110	2.2
57.03436	2.9
57.07066	9.9
59.04989	2.6
67.05502	11.4
67.52583	2.5
69.03417	2.5
69.07059	14.4
70.88495	3.9
71.01338	2.5
71.04997	9.1
79.05493	15.9
81.07061	23.1
83.04985	4.7
83.08635	4.1
85.06544	6.3
91.05490	9.2
93.07037	24.1
95.08605	100.0
97.06538	5.2
99.04448	3.8
105.07008	13.9
107.04945	5.5
107.08591	51.9
108.15604	2.2
109.06563	3.8
109.10154	20.3
111.04448	8.6
111.08071	7.6
113.09659	6.3
119.08608	8.7
121.10121	25.8
123.08072	6.9
123.11705	7.6
125.09637	4.4
130.99088	2.7
131.08597	4.7
133.10135	7.1
135.04410	3.3
135.11688	12.1
137.09590	4.5
139.11287	2.5
145.10130	10.0
147.11731	5.3
149.09647	2.9
149.13274	9.2
151.11162	5.1
152.06210	2.6
159.11731	10.4
161.13237	7.5
163.11194	4.4
166.07903	2.0
174.77411	2.1
177.09286	2.6
177.12854	4.2
177.16376	27.9
178.07573	2.1
179.08601	4.5
179.14258	3.6
180.60060	2.5
181.04987	5.8
181.06563	2.5
181.12225	2.8
191.10608	3.6
191.14307	3.4
191.18037	3.7
192.06575	2.9
195.11751	2.7
195.13588	2.8
201.16364	10.9
209.09946	3.0
209.11658	14.2
219.17401	21.3
220.80486	2.5
222.14032	2.4
237.05457	3.9
237.09171	4.7
237.12755	4.7
237.14786	7.7
237.16641	5.2
237.18481	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24096	1.6
53.03943	3.6
54.90134	1.5
55.01871	7.6
55.05529	2.5
57.03437	6.1
58.80421	1.3
65.03921	1.7
67.05505	3.5
69.07069	3.4
71.30272	2.5
78.04723	2.2
79.05501	13.8
81.07078	2.4
83.70724	1.4
85.02896	4.0
85.06569	1.6
91.05473	29.6
93.07056	4.5
95.04961	5.6
95.08587	1.8
103.05472	29.9
104.06245	5.9
105.03421	1.5
105.06371	2.8
105.07035	42.3
106.04176	5.1
107.04957	82.7
107.08576	2.0
108.08123	1.8
109.06510	4.5
109.08485	3.3
111.04418	2.2
115.05438	19.3
116.06226	4.0
117.07011	22.6
119.04938	6.0
119.08598	6.6
120.05733	3.6
121.06503	20.7
122.03649	5.5
122.07274	1.8
123.04442	9.7
123.08102	3.4
124.05199	4.9
128.06198	8.4
129.07022	3.1
131.04909	15.6
131.05629	1.4
131.08554	2.7
132.05765	7.4
133.06493	32.2
133.10152	1.8
135.04424	22.7
135.08055	16.8
136.05197	19.2
137.05975	90.3
137.09573	2.0
138.06766	18.7
141.06984	3.6
143.08568	5.0
144.05713	2.0
145.06508	8.8
145.10156	2.1
146.07262	5.6
147.08043	15.8
148.08801	8.3
149.05984	12.9
149.09627	3.3
150.06729	4.6
151.07552	6.2
155.08589	3.1
159.04425	4.7
159.08046	4.3
160.05223	4.4
160.08836	4.3
161.06007	6.0
161.09650	12.1
162.06757	7.9
163.07536	100.0
164.08162	6.9
165.07016	2.0
165.09123	27.7
166.09697	2.1
169.06482	3.2
171.08044	2.7
172.08893	3.7
174.06795	1.8
175.07553	77.8
175.11137	17.3
176.07965	2.6
177.09146	6.0
178.07750	3.4
179.07027	14.6
179.10524	1.5
180.07800	16.5
181.06526	2.9
181.08591	13.5
182.07219	1.4
182.07828	2.3
182.09399	27.0
183.10147	2.8
188.08383	3.4
189.09111	2.1
191.10687	6.0
193.06854	2.3
193.08606	15.8
193.10211	3.4
193.12204	1.8
194.09302	3.2
195.08046	3.2
197.05960	3.7
203.10674	26.1
209.11737	13.2
211.11214	5.3
221.09654	5.1
221.11742	9.0
224.10443	13.1
239.06801	3.0
239.08716	12.8
239.10753	5.5
239.12834	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60873	1.0
53.03951	2.7
54.17838	1.3
55.01871	6.0
55.05508	1.2
57.03436	5.2
62.13718	1.0
65.03944	1.8
67.05496	3.4
69.46846	6.6
77.03941	1.9
78.04701	4.1
79.05488	19.0
81.07056	4.7
84.55768	1.0
89.06008	1.7
89.17722	1.2
91.05480	25.8
93.07056	5.4
94.04209	1.7
95.04947	4.9
95.08607	2.7
97.06484	1.2
103.05465	28.2
104.06252	3.9
105.03436	1.5
105.06500	1.0
105.07026	47.9
106.04173	5.4
107.04954	76.2
107.08587	3.1
108.05249	1.1
109.06516	3.7
115.05451	18.8
116.06271	2.4
117.07015	21.9
119.04929	4.8
119.05824	1.2
119.08548	5.8
120.05725	2.1
121.06508	20.4
122.03658	3.7
123.04426	13.6
123.08088	2.5
124.05193	4.6
125.06004	1.6
128.06226	7.1
129.07016	2.8
130.07770	1.9
131.04924	16.3
131.08597	4.0
132.05722	8.1
133.06487	29.9
133.10127	3.5
135.04416	26.8
135.08044	21.8
136.05215	18.0
137.05974	83.9
137.09607	1.3
138.06776	20.1
143.08566	5.5
144.05649	2.3
145.06488	10.2
145.07530	2.1
145.10109	3.2
146.07274	6.4
147.04425	1.9
147.08052	13.7
148.08812	7.7
149.05974	13.7
149.09604	3.8
150.06754	4.9
151.07555	5.9
159.04395	2.6
159.08060	2.1
160.05223	4.4
160.08829	4.6
161.05983	6.8
161.09605	8.5
162.06778	8.5
163.07538	100.0
164.08252	6.2
165.09125	31.7
167.06981	1.2
171.08063	3.6
172.08868	1.9
173.05960	1.7
174.06775	1.8
175.07550	79.8
175.11140	13.0
176.07852	2.8
177.09108	5.0
179.07011	9.3
179.10628	2.1
180.07822	18.8
181.08588	16.7
182.09392	26.9
185.09537	1.5
188.08366	3.4
189.09070	2.6
191.10632	6.5
193.08595	21.0
193.10237	2.2
193.12236	2.5
194.09329	4.0
195.10233	1.3
203.10669	23.8
209.11705	12.4
221.11726	9.7
221.15361	1.4
224.10414	16.0
239.06866	1.3
239.08879	19.6
239.12537	6.4
239.16528	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.164
Annotation	Geranyl acetoacetate
Peak:m/z	Relative Intensity
53.03939	2.0
55.01868	5.1
55.05515	18.6
57.03434	3.1
57.07074	27.7
59.05004	11.2
65.03931	2.3
67.05505	49.6
68.99776	4.8
69.03445	8.2
69.07064	21.1
71.04994	11.6
71.08610	2.2
79.05492	15.1
81.03362	2.2
81.07061	41.8
83.04980	22.6
83.08616	18.1
85.02882	4.9
85.06541	100.0
87.04453	3.2
91.05474	14.8
93.07040	27.2
95.04971	17.4
95.08607	65.2
96.08984	1.5
97.06525	25.5
97.10165	5.9
99.04417	3.7
99.08096	7.4
101.67381	1.4
105.07025	22.7
106.07349	9.3
107.04916	1.7
107.08591	32.0
109.06516	12.5
109.10157	67.5
109.10905	3.6
111.04391	3.0
111.08076	33.4
111.11682	1.5
113.05984	4.6
113.09639	8.0
115.03926	2.0
117.07013	2.5
119.07796	2.6
119.08583	39.7
121.06493	5.5
121.10143	13.0
122.07282	1.7
123.04420	4.0
123.08063	22.6
123.11697	5.6
124.08412	2.1
125.05981	19.8
125.09642	17.7
127.07517	5.1
127.11200	3.7
129.06999	1.8
131.08507	2.8
133.10132	15.2
135.08029	8.1
135.11700	12.8
137.05968	5.3
137.09608	42.7
137.13243	29.4
139.07576	10.4
139.11131	2.4
143.08565	3.2
145.10065	4.6
147.07990	8.0
147.11682	6.1
149.09575	10.5
149.13188	2.8
151.03896	2.1
151.11188	8.8
151.14818	1.5
153.09100	59.9
153.12778	4.0
153.73189	1.6
155.10661	27.0
155.14310	2.5
157.10144	1.9
161.09573	3.7
161.13239	6.0
163.11168	8.7
163.14760	1.9
165.06996	2.0
165.09099	23.0
175.11072	2.4
175.14778	8.7
177.14726	11.0
179.10675	3.4
179.14278	4.5
181.12221	5.7
183.10155	21.2
184.07631	2.1
191.14304	3.3
193.08612	1.8
193.15891	4.4
196.07561	2.0
197.08316	2.6
198.09073	2.4
203.14320	8.3
203.17990	2.8
209.15369	19.5
221.11714	4.1
221.15344	42.7
221.18845	2.4
239.10806	2.1
239.16389	66.8
240.13763	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1641
Annotation	Canusesnol H
Peak:m/z	Relative Intensity
53.03936	2.4
55.01636	1.8
55.01874	20.7
55.05506	11.3
57.03434	4.1
57.07078	7.2
58.32455	1.2
59.04990	1.6
65.03933	3.7
67.05503	30.1
69.03432	6.6
69.07069	13.7
71.04996	8.6
71.29064	1.9
75.28568	1.1
79.05490	21.6
81.07059	41.2
82.07399	1.4
83.04967	5.5
83.08621	2.0
85.02900	2.6
85.06544	28.0
89.06047	2.0
91.05480	20.1
93.07037	36.8
94.07356	1.7
95.04964	37.8
95.08602	23.9
97.02879	1.4
97.06521	5.4
97.10221	1.3
99.04448	3.3
99.08095	2.9
103.05514	2.1
105.03355	1.7
105.07028	41.8
107.04919	1.3
107.08594	39.4
109.06519	100.0
109.10154	18.7
110.06042	1.5
110.06812	2.6
111.04433	2.0
111.08056	3.7
113.05222	1.7
113.06005	33.5
113.09605	1.5
113.16792	1.3
114.06283	1.2
115.05431	2.1
117.07007	5.8
119.04930	1.6
119.08576	33.9
120.08898	1.3
121.06519	9.7
121.10140	30.4
123.04498	2.1
123.08053	14.6
123.11746	3.3
125.09627	4.2
128.06273	1.5
129.07004	2.1
130.07779	2.5
131.06923	1.9
131.08569	9.9
133.06511	3.8
133.10124	28.0
135.08052	27.5
135.11700	12.0
137.05980	2.4
137.09605	11.9
139.11180	2.8
143.08545	4.3
145.10104	8.0
147.08038	4.5
147.11691	7.6
149.09596	11.4
149.13261	4.9
151.07599	2.6
151.11176	5.1
153.09128	2.0
157.04742	1.3
157.10121	4.7
159.11690	3.6
161.09628	8.2
161.13217	11.4
163.11171	9.4
163.14792	2.4
165.05608	2.5
165.06989	12.3
165.09076	4.0
165.81465	1.4
167.10687	45.9
167.50696	1.3
173.13257	9.3
175.07481	2.3
175.11177	3.0
175.14838	3.0
179.07007	2.4
179.10680	2.1
179.14311	2.2
181.12268	7.9
185.13243	2.9
191.14307	11.4
193.06488	4.8
193.08601	1.9
197.06033	3.0
203.10709	1.5
203.14316	8.0
209.15390	9.6
210.06789	1.3
211.07576	3.5
213.35164	1.5
221.05960	1.8
221.07938	1.3
221.15294	9.2
239.06996	17.8
239.08963	9.9
239.12616	3.1
239.16406	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1641
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03942	1.5
55.01870	20.5
55.05510	11.3
57.03428	3.5
57.07080	6.8
58.69750	0.9
59.05007	1.1
60.56227	1.2
65.03940	3.1
67.05506	33.5
68.88800	0.9
69.03436	6.6
69.07065	12.3
70.65851	2.0
71.04984	8.4
79.05495	24.7
81.03403	1.7
81.07056	45.5
83.04984	6.9
83.08611	2.9
85.02905	1.3
85.06542	30.1
86.09673	1.4
91.05483	22.2
93.07046	41.5
95.04971	37.0
95.08607	25.5
97.06522	5.6
99.04443	2.1
99.08094	3.2
101.06039	1.1
103.05453	3.2
105.07028	39.7
107.04958	3.9
107.08595	39.3
108.08894	1.1
109.06518	100.0
109.09454	1.7
109.10164	25.5
110.06855	1.3
111.08054	5.6
111.45709	1.0
113.06005	35.8
113.09608	1.2
115.05420	1.3
117.07036	4.8
119.04913	1.0
119.08582	38.6
119.09447	1.9
121.06509	14.0
121.10136	35.9
122.07265	1.3
123.04422	2.1
123.08073	18.9
123.11697	3.5
125.09622	2.3
128.06226	1.4
129.07011	1.7
130.07816	1.8
131.04913	2.1
131.08566	13.0
133.06476	2.8
133.10127	33.4
135.08051	27.2
135.11668	13.5
137.06003	2.6
137.09622	13.0
139.11287	1.1
143.08545	4.3
145.10110	11.6
147.08052	4.9
147.11700	7.2
149.06096	1.0
149.09647	12.1
149.13272	5.6
151.07552	3.4
151.11179	5.5
153.09154	3.3
155.54503	1.0
157.10104	3.9
159.11710	2.9
161.09637	9.2
161.13239	12.1
162.06772	1.0
163.07523	2.7
163.11206	7.9
163.14836	5.3
165.06999	2.4
165.09082	5.2
165.12756	2.0
167.06952	1.4
167.10678	45.2
170.10939	1.7
171.08031	1.0
173.13260	7.1
175.07607	2.2
175.11220	2.6
175.14856	7.0
177.09108	9.4
179.10745	2.0
179.14349	2.6
181.08536	1.1
181.12245	7.7
185.13252	2.3
191.14319	13.2
193.08600	3.0
193.12224	2.1
193.15845	1.5
195.10100	1.1
197.05981	1.6
203.10678	1.7
203.14299	8.5
204.29196	1.0
205.09724	1.0
209.15375	11.2
211.07396	1.5
221.08064	1.9
221.11772	2.3
221.15320	10.0
239.08961	7.5
239.12640	2.1
239.16418	82.3
240.16795	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1641
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03921	1.6
55.01862	4.2
55.05508	11.2
57.03424	2.5
57.07079	42.7
63.80070	1.2
67.05507	36.8
69.03432	6.5
69.07069	14.1
69.43755	7.5
71.04987	6.6
71.08606	2.2
73.02891	1.6
79.05487	16.0
81.07057	48.3
83.05004	6.5
83.08617	8.8
85.06545	32.8
85.07013	0.7
87.04469	11.1
91.05479	20.9
93.07043	36.6
94.07879	1.3
95.04964	5.4
95.08606	70.3
97.06530	3.3
97.10159	3.2
98.23383	2.5
99.07478	1.7
99.08102	20.6
101.05999	10.5
105.07031	27.1
107.04980	1.3
107.07857	2.2
107.08594	56.9
109.06494	4.0
109.10156	78.8
110.10445	1.8
111.08064	2.4
111.11704	1.5
113.06004	2.1
115.03911	7.3
117.07011	1.6
119.08579	35.5
121.06517	1.8
121.10145	35.5
122.10934	1.8
123.08080	4.0
123.11707	27.3
125.09595	1.4
129.05481	10.4
131.08578	2.3
133.06520	2.8
133.10129	37.1
135.08101	1.5
135.11697	10.5
137.05949	2.1
137.09619	9.8
137.13228	6.8
139.07491	1.3
141.05421	1.8
143.08513	1.3
145.10121	1.8
147.08052	10.6
147.11703	9.8
149.13257	21.6
151.07550	9.2
151.11194	6.3
151.14815	10.4
155.07022	4.6
159.11703	1.6
161.09599	12.7
161.13260	7.9
163.14821	7.5
163.36554	1.7
165.05446	3.4
165.09117	21.0
169.08615	2.7
175.14828	22.6
179.10655	13.1
183.10185	14.8
185.13356	1.4
187.98222	1.2
193.15904	4.2
197.11743	18.8
203.14333	8.0
221.15411	15.3
239.16412	100.0
240.16771	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.164
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03946	2.1
55.01889	3.5
55.05267	1.9
55.05512	17.9
57.03434	3.6
57.06794	2.6
57.07074	45.4
58.51537	1.3
60.76806	1.3
61.06689	1.7
65.09472	1.2
67.05504	46.5
67.24158	1.2
69.03413	6.1
69.07070	21.6
70.82272	1.7
70.82613	2.8
71.05006	7.0
71.08620	3.2
73.02927	2.1
79.05491	20.1
81.07056	63.1
83.04971	5.2
83.08621	12.3
85.06542	37.7
87.04468	12.4
91.05482	21.5
93.07043	46.8
94.07404	1.9
95.04951	5.5
95.08605	84.0
96.08944	1.8
97.06505	5.6
97.10167	5.4
98.22710	1.5
99.04421	2.9
99.08088	25.4
101.06037	8.7
103.05435	2.2
105.07030	35.9
107.04933	1.8
107.08592	67.5
109.06495	5.9
109.10152	91.4
111.08071	5.0
111.11715	5.4
113.06007	3.1
115.03938	7.1
115.07535	2.2
117.07016	2.3
119.08575	43.7
121.09286	3.2
121.10142	44.0
122.10909	2.1
123.08068	13.0
123.11711	32.0
125.09633	3.7
127.07513	2.3
129.05469	10.5
130.36647	1.4
130.76196	1.7
131.08601	3.6
133.06522	3.6
133.10127	40.7
134.10468	1.7
135.10826	1.5
135.11720	18.0
136.12477	2.3
137.05994	1.8
137.09599	14.4
137.13229	7.5
139.07521	1.5
139.11003	1.7
141.05399	2.9
145.04340	1.4
145.10095	2.0
147.08038	11.7
147.11681	15.6
149.13263	23.6
151.07585	8.8
151.11174	10.2
151.14799	14.0
155.07027	4.9
155.08493	1.4
161.09657	13.1
161.13283	12.5
163.14830	9.7
165.09117	22.9
165.12669	2.6
169.08582	4.2
169.10059	1.5
175.14801	24.6
177.16348	2.9
179.10648	13.6
179.14276	1.9
183.10170	16.8
193.15883	6.2
197.11710	18.3
203.14314	9.0
203.17920	7.6
211.07460	2.5
214.56192	1.5
221.15393	15.0
221.18950	4.6
239.08788	2.3
239.10916	3.1
239.16405	100.0
239.19936	7.6
240.16783	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1641
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03932	3.6
55.01853	4.7
55.05511	14.5
57.03423	4.0
57.07075	46.7
57.11996	1.6
59.04984	1.5
65.03941	1.9
67.05504	42.0
69.03442	6.8
69.06730	1.8
69.07069	21.9
69.93550	2.2
69.93899	3.8
71.05000	8.0
71.08610	3.8
73.02864	2.1
79.05489	19.4
81.07056	70.5
83.04958	5.5
83.08615	12.7
85.06541	38.6
87.04463	9.2
91.05477	18.9
93.06474	2.1
93.07046	44.0
95.04955	7.7
95.08604	86.7
96.08948	1.9
97.06526	5.0
97.10156	6.1
98.22639	1.8
99.04443	2.9
99.08089	26.4
101.02396	1.6
101.05464	1.3
101.06026	11.9
105.07024	34.8
107.04934	2.4
107.08593	71.7
109.06496	6.3
109.10152	100.0
111.08046	3.8
111.11703	2.5
113.05995	3.2
115.03902	5.4
117.06969	2.8
119.04877	1.4
119.08578	46.2
120.08900	1.6
121.09304	2.5
121.10143	43.3
123.08067	7.5
123.11705	35.4
125.09571	3.1
127.07609	1.9
129.05475	15.7
131.08528	3.9
133.06458	4.7
133.10129	44.5
135.11688	16.5
137.05988	2.7
137.09615	10.7
137.13234	7.0
139.07504	2.4
139.11166	2.1
141.02765	1.4
143.08508	2.0
145.10092	2.3
147.08031	10.0
147.11696	11.8
149.13240	27.9
151.07584	7.1
151.11200	9.3
151.14839	13.1
155.06985	3.6
161.09624	13.8
161.13219	8.3
163.14815	13.0
165.09116	24.6
165.12762	3.2
169.08597	3.0
175.14821	28.3
177.16385	2.1
179.10680	15.4
183.10162	15.2
183.11606	2.3
185.13194	1.7
193.15927	7.1
197.11691	17.4
197.13336	2.6
203.14380	7.7
203.17969	4.7
211.13245	1.7
221.15340	14.5
221.18941	5.7
239.06793	2.1
239.08899	3.2
239.16368	97.2
239.20125	5.7
240.16756	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03938	2.4
54.44994	1.9
55.05513	33.0
55.76126	2.0
57.03425	6.2
57.07080	19.3
59.04994	3.5
67.05502	38.5
69.03439	3.5
69.07066	70.1
71.04992	14.9
71.08649	4.1
71.30760	2.6
79.05504	21.2
81.07057	60.8
83.04978	29.4
83.08614	22.9
85.02903	22.7
85.06544	60.5
87.04475	3.0
91.05492	26.2
93.07041	43.9
95.04967	6.7
95.08607	75.4
97.06538	6.0
97.10157	11.7
99.08109	6.5
105.07034	67.8
107.08601	73.7
109.06535	8.9
109.10162	57.5
111.08103	5.0
113.09666	4.2
115.07593	2.4
119.08589	44.8
121.10140	26.5
123.08063	7.5
123.11710	23.2
125.09676	4.5
125.13290	12.4
131.08572	3.4
133.10133	32.7
135.11710	8.9
137.09637	12.0
137.13254	12.7
139.11174	10.2
145.10211	3.4
147.08109	2.7
147.11682	73.7
148.12117	3.9
149.13191	4.9
151.11203	13.5
151.14801	2.7
153.12758	8.9
161.13251	39.7
163.14806	42.1
165.09117	7.3
165.12764	13.5
167.14337	3.8
169.12268	3.2
175.14864	8.4
177.16391	3.0
179.14407	4.5
183.08035	3.0
183.11740	3.6
196.05370	3.2
197.13249	3.1
203.14374	4.1
203.17947	88.5
204.18407	2.3
211.07570	3.8
221.15402	7.2
221.19000	100.0
222.19298	3.6
239.08893	13.6
239.16154	4.2
239.18033	5.7
239.20058	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2005
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05508	32.7
57.07078	22.7
59.04996	30.4
67.05518	22.3
69.07076	36.3
69.99766	18.0
71.05005	4.7
71.62624	4.0
74.13747	4.3
76.86240	3.8
79.05506	15.7
81.07055	89.5
83.04980	8.0
83.08603	23.0
85.06561	11.4
91.05500	11.3
93.07021	25.8
95.08606	100.0
97.06520	8.2
97.10180	16.4
97.13243	3.7
99.08099	7.7
105.07053	15.5
107.08596	43.5
109.06538	5.6
109.10159	48.4
111.08095	9.9
111.11727	10.8
119.08576	32.9
121.10139	31.1
123.08084	8.3
123.11723	34.8
125.09653	8.1
133.10120	34.7
135.11703	32.7
137.09599	5.5
137.13255	74.9
137.14217	6.6
139.11191	25.7
143.08638	5.0
143.10690	6.2
147.11693	37.1
149.13283	21.6
151.11186	14.5
161.13261	11.7
163.14861	26.3
169.10173	5.4
175.14775	31.3
177.16454	11.9
184.13965	3.9
197.13390	4.1
200.76060	5.0
203.14305	8.9
203.17975	50.1
221.15448	24.7
221.18961	44.5
234.08890	3.9
236.05318	4.0
239.08823	11.3
239.10928	4.3
239.14270	7.0
239.18120	10.3
239.20033	26.6
240.19263	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2005
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05510	24.7
57.03436	4.9
57.07076	29.1
59.05000	25.9
61.75167	2.0
67.05499	21.9
69.00331	21.5
69.00726	4.6
69.03428	3.9
69.07067	34.1
71.05000	9.4
71.08629	5.8
79.05490	13.4
81.06579	5.2
81.07057	94.0
83.04981	3.4
83.08620	17.5
85.06535	12.3
87.04489	4.4
90.35739	2.2
91.05495	8.1
93.07044	29.1
95.08605	100.0
97.06547	12.4
97.10178	16.7
98.22530	5.0
99.08102	6.3
105.07034	16.7
107.08596	45.0
109.06483	3.1
109.10154	54.6
109.10899	3.6
111.08103	11.6
111.11723	12.5
113.09615	3.3
115.07580	3.1
119.08584	28.4
121.10136	38.8
123.08084	5.0
123.11709	34.6
125.09593	11.0
133.10123	29.5
134.59238	2.1
135.11684	28.2
137.09618	5.4
137.13258	84.4
139.11162	20.9
143.10732	6.8
147.11679	27.7
149.13283	17.2
151.11179	10.3
151.14859	4.7
153.12764	4.8
157.12204	2.9
161.13234	14.2
163.14824	30.2
165.12715	5.9
169.10181	3.8
175.14862	9.3
177.16444	10.5
193.19470	4.6
197.13477	2.7
200.31706	2.5
203.14285	2.6
203.17950	53.0
221.15607	3.5
221.19017	49.6
222.19403	3.0
239.10880	2.6
239.14275	4.9
239.16406	7.6
239.20036	31.5
257.73868	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68147	0.6
62.39538	0.5
68.76340	0.5
69.03406	0.7
69.45705	1.7
69.46116	1.7
79.05498	6.2
81.07050	4.4
87.51467	0.7
91.05475	4.1
92.06282	0.6
93.07036	2.7
103.05482	0.6
105.06998	3.0
107.04913	0.7
107.08601	5.4
115.05443	1.0
117.06963	1.4
129.06999	1.4
131.04909	2.4
133.05240	3.5
134.06001	1.9
142.06488	0.8
143.07347	1.0
143.08469	0.8
144.05617	1.1
145.05392	0.6
145.06432	2.7
146.05998	17.3
147.06798	1.2
148.07608	0.7
153.07025	0.8
154.06479	2.6
155.06030	1.0
155.07268	2.0
156.08102	3.7
159.06769	2.2
160.07570	7.1
161.08327	2.9
162.09126	1.0
165.06914	0.6
167.08517	0.7
168.08083	2.0
170.06006	8.5
170.09659	3.5
171.06790	17.7
171.08086	0.8
172.07578	12.4
173.08315	1.0
174.09148	1.3
180.08096	1.6
181.08789	0.6
182.09621	1.4
183.06783	27.4
183.08395	1.6
184.07579	39.5
185.08353	40.5
186.08971	2.3
194.06944	0.8
194.09688	2.3
196.07574	34.7
197.08344	39.4
198.09131	35.0
199.09703	2.3
210.09128	29.3
211.09903	20.6
211.13362	1.0
212.10706	5.0
223.09721	1.0
224.10696	5.1
225.11475	7.6
238.12276	2.7
240.13820	100.0
241.14171	3.6
258.06616	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1434
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.05505	4.1
56.96566	4.6
57.03439	2.7
58.06595	2.7
67.05514	2.9
69.03427	10.3
69.07067	10.9
70.06588	3.0
70.79916	4.6
71.04993	18.3
79.05497	6.4
81.07049	13.1
83.04997	6.1
83.06086	3.2
84.08152	25.9
91.05474	6.0
93.07050	16.8
95.04962	6.0
95.08599	21.4
97.02894	5.0
97.06541	19.5
98.83379	2.4
98.97582	28.0
99.04458	9.9
104.89352	2.7
105.07004	14.5
107.04985	2.7
107.08596	24.7
109.06539	3.6
109.10180	4.8
111.08087	4.3
112.07569	2.6
116.98611	16.9
117.06993	3.8
119.08600	8.8
121.06511	4.6
121.10141	34.1
123.08066	78.0
125.09674	3.7
127.07653	2.4
130.07782	2.9
133.10146	6.0
134.99693	5.6
135.08047	13.6
135.11694	21.3
137.09641	4.1
145.10100	31.1
147.07996	3.7
147.11720	3.6
153.09114	10.9
158.99660	4.1
159.11697	6.3
163.11174	34.7
165.09097	13.0
171.10144	2.8
175.11130	14.1
177.12782	6.7
181.12239	32.7
193.12350	3.8
195.11345	10.6
196.05753	2.6
205.12311	13.7
208.35475	3.0
223.13284	100.0
224.08875	3.5
231.42268	2.7
241.04857	3.9
241.08675	3.2
241.11996	19.2
241.15541	20.6
242.09947	17.0
258.99878	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.3
58.06602	17.3
63.29662	0.2
64.19923	0.2
70.06586	2.6
70.18210	0.4
70.18573	0.4
72.08152	0.4
81.03416	0.5
84.08142	11.0
98.06059	0.3
98.09705	1.6
98.97555	0.2
100.11242	0.5
114.05531	0.5
116.07159	0.3
116.10707	0.2
121.01663	0.4
121.02814	0.2
124.11135	0.2
126.05540	0.4
128.10716	3.6
131.01915	0.3
144.10170	1.2
157.01317	0.3
158.08131	0.3
168.10199	1.1
189.04012	0.5
196.07886	0.2
196.09703	4.9
213.15913	0.5
223.02803	0.3
241.15465	100.0
242.15765	2.5
260.16168	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1548
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
55.05509	0.2
58.06603	19.5
70.06599	3.1
71.07313	0.2
72.08160	0.3
81.03401	0.4
83.04945	0.2
83.48010	0.2
84.08146	9.9
85.02883	0.3
85.06546	0.3
86.02311	0.1
93.30717	0.2
97.02888	0.4
98.06051	0.5
98.09691	1.5
100.11272	0.3
101.30135	0.2
103.00588	0.3
104.10720	0.6
106.82619	0.2
114.05511	0.5
114.09153	0.2
116.07119	0.4
119.01929	0.3
121.01644	0.6
121.02861	0.6
126.05476	0.4
126.09144	0.4
128.10727	4.3
131.01901	0.2
133.03476	0.2
139.02672	0.2
144.10185	1.7
149.00914	0.2
150.76619	0.2
152.10760	0.3
156.97476	0.4
168.10190	1.1
169.05309	0.4
169.31613	0.2
170.06093	0.2
177.51593	0.2
180.18309	0.2
196.09709	6.0
198.98590	0.5
213.16000	0.4
241.15468	100.0
242.15785	2.8
254.09529	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30342	0.1
56.96557	0.6
58.06601	17.8
69.01615	1.9
70.06249	0.3
70.06594	2.7
71.04973	0.2
71.95276	0.3
72.08161	0.4
81.03433	0.3
84.07635	0.5
84.08141	9.5
85.08463	0.3
91.54301	0.2
97.07648	0.4
98.06063	0.5
98.09697	1.5
98.97588	4.9
100.11264	0.4
102.55934	0.2
114.05513	0.5
114.35285	0.2
115.91952	0.2
116.07111	0.3
116.10770	0.2
116.98624	2.3
124.07587	0.2
126.05494	0.4
126.09116	0.2
128.10725	4.0
134.99634	0.8
144.10178	1.2
168.10197	1.1
196.09692	5.3
197.09995	0.2
199.07500	1.1
213.15976	0.5
217.08519	1.6
219.02032	0.5
241.15465	100.0
242.15796	2.5
258.99652	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1797
Annotation	Chokol F
Peak:m/z	Relative Intensity
51.26184	2.8
52.84470	3.4
55.01883	5.8
55.05514	14.8
57.07076	6.7
67.05509	21.1
69.03432	7.8
69.07066	40.0
69.60134	15.9
70.46275	3.6
71.05008	5.2
71.08625	3.2
73.20527	2.9
79.05491	19.0
81.07052	27.2
83.08623	9.9
85.06549	9.7
91.05490	11.1
93.07047	49.9
95.04982	5.1
95.08607	51.8
95.09165	5.1
97.06545	26.7
99.04481	4.3
99.08073	4.4
102.62635	3.2
102.96269	3.8
105.07026	23.3
107.08591	87.1
107.09284	5.8
109.06532	5.1
109.10148	38.9
113.57328	3.3
115.07585	19.1
119.08562	31.7
121.10148	52.6
123.11713	13.8
131.08560	9.9
133.10130	9.4
135.08067	21.4
135.11679	21.8
137.09555	4.3
143.08565	3.7
145.10144	17.3
147.11670	11.6
149.09651	18.3
153.09105	21.3
159.11732	7.7
161.13242	58.3
163.11166	7.7
163.14799	29.4
167.10651	33.1
172.74702	4.0
177.12782	6.1
177.16397	12.8
179.14314	16.2
181.12248	7.1
181.15884	18.6
187.14888	15.0
205.15855	71.9
206.16209	5.7
223.11107	4.5
223.16899	100.0
224.17293	4.7
241.08658	7.6
241.12184	9.5
241.15875	12.3
241.18082	11.4
256.22748	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2162
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
53.03953	4.0
55.05514	59.0
57.03432	4.0
57.07078	16.1
66.11195	2.4
67.05502	38.2
69.03432	8.7
69.04353	23.0
69.07070	57.3
71.04988	7.6
71.08640	4.4
79.05483	21.8
81.03386	3.6
81.07056	78.3
83.04988	6.0
83.08617	42.9
85.06542	20.0
89.03956	3.4
91.05499	7.0
93.07049	36.1
95.04990	3.8
95.08608	100.0
97.02864	3.4
97.06539	8.8
97.10170	47.8
98.82253	2.9
99.08094	26.8
105.07027	9.2
107.08598	47.1
107.78489	2.6
109.06529	2.9
109.10156	91.7
110.10512	2.6
111.08041	4.4
111.11744	7.5
113.09647	45.5
115.11239	6.7
117.03283	2.9
119.08592	4.9
121.10147	32.9
123.10822	3.3
123.11702	59.9
124.12112	3.1
125.09647	21.5
127.11159	6.7
129.07059	3.5
134.03630	3.1
135.04443	5.8
135.11702	30.4
137.13278	10.6
139.11191	9.5
141.12726	2.5
143.08621	5.2
145.02808	4.6
145.10110	2.9
147.11772	2.6
149.13257	52.5
151.14749	3.4
152.06242	3.7
153.12756	5.5
157.06482	2.9
163.03906	9.4
163.14880	8.6
165.16383	4.9
167.08556	4.8
167.14334	6.1
177.16403	3.9
178.09158	2.5
179.17905	12.9
193.19490	5.0
205.19505	51.9
223.20595	26.0
241.08403	13.1
241.12314	6.8
241.15836	7.8
241.19502	6.5
241.21667	22.5
263.43167	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2161
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
50.25615	3.0
53.03948	4.9
55.05510	64.0
57.07074	15.5
59.05003	5.0
67.05505	48.3
69.03423	7.9
69.07068	55.0
69.63478	9.9
69.63892	6.2
71.04990	13.7
71.08627	6.2
73.33544	3.3
79.05506	16.4
81.07059	87.7
83.08619	42.8
85.06531	17.6
91.05452	7.3
93.07042	45.0
95.08602	95.1
96.13327	3.3
97.06544	12.1
97.10160	42.7
99.08092	24.9
105.07038	8.0
107.08597	49.4
109.10156	100.0
109.10907	5.0
111.08099	3.5
111.11681	7.0
113.09637	56.9
115.11204	5.3
119.08586	4.0
121.10136	45.5
123.11716	63.9
125.09654	24.1
127.11188	9.5
135.11700	37.5
137.13257	15.2
139.11189	9.8
142.14941	3.6
149.13243	46.7
153.12778	6.6
157.10103	3.9
163.14821	10.3
165.16483	4.3
167.14273	9.5
171.11671	3.9
177.16461	6.8
179.17879	16.6
195.11687	4.2
205.19482	60.9
223.20523	27.9
234.13713	3.3
241.12250	6.5
241.15865	6.9
241.19470	7.2
241.21649	28.4
253.62209	3.6
253.94403	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.3
55.01862	1.5
56.49104	1.0
56.96567	1.2
57.03431	4.0
58.06604	4.5
59.06933	1.4
61.02924	3.6
69.03439	7.1
69.70856	3.6
71.01360	1.3
71.04996	2.7
73.02917	6.8
75.04479	2.0
80.05025	1.7
81.03429	3.5
83.04983	1.8
84.08162	2.2
85.02918	11.7
85.08454	1.2
87.04501	1.9
96.08136	1.1
97.02897	12.3
98.97592	3.2
99.04459	2.6
101.00895	10.4
101.02416	1.4
102.00986	1.1
109.02884	2.0
110.97540	0.9
114.09172	1.0
115.02447	3.1
115.03947	1.0
117.03915	1.0
119.01939	21.0
121.01711	1.0
122.04052	1.1
127.03934	4.0
129.01865	1.8
129.04001	3.1
131.01910	2.5
133.01755	1.0
133.03500	7.3
137.02956	3.1
140.98886	1.3
141.02098	1.0
143.01955	2.0
145.03461	2.7
145.05002	1.8
146.05003	2.6
147.05043	6.4
148.03911	0.9
149.02982	1.0
155.01952	1.5
155.05537	1.6
157.01448	1.5
157.03439	2.0
158.99933	4.0
159.05022	4.0
160.53682	1.0
160.54903	1.3
161.02960	2.9
161.05539	25.9
161.06804	1.8
161.55635	3.4
165.06120	1.1
169.05362	1.3
170.06105	13.9
170.56245	1.9
171.05020	2.2
172.08192	1.0
173.03017	1.5
177.00980	27.0
177.02547	1.5
177.06090	3.0
178.05988	1.4
184.02646	1.0
187.04506	1.2
189.04027	4.6
189.06081	1.6
195.07143	2.2
196.09744	3.0
197.09981	1.1
201.00929	2.7
201.02599	1.7
201.06123	1.3
217.04115	3.9
219.02025	33.9
219.07173	2.6
221.05060	2.7
225.01028	2.7
225.12469	1.5
231.07278	1.8
242.10287	4.0
242.15843	32.1
243.01913	7.9
255.19662	1.0
260.00049	1.3
261.03085	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26462	0.7
61.03447	0.9
69.44343	2.8
69.44747	1.6
74.19762	0.7
79.44836	0.7
82.82668	0.8
98.97607	0.9
112.03738	8.7
119.44072	0.7
123.04400	1.3
153.05232	8.3
171.06290	1.7
188.22098	0.8
196.09711	2.0
224.08975	7.7
242.10001	100.0
243.10291	1.9
247.64880	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1539
Annotation	Acutine
Peak:m/z	Relative Intensity
51.49678	0.2
55.05510	1.3
56.25334	0.2
57.68261	0.2
65.03934	0.5
65.72716	0.2
67.05504	2.9
69.74139	0.9
71.09929	0.2
74.06080	0.5
74.07627	0.2
78.36394	0.2
79.05475	0.5
81.07063	1.8
83.08639	0.2
91.05482	26.2
92.05802	0.4
93.07051	0.4
95.08607	2.8
103.05474	0.4
105.07005	0.4
109.10159	0.4
115.05462	0.5
117.05724	0.3
117.07014	1.2
118.06509	0.2
122.06002	0.4
129.07004	0.5
129.41896	0.2
130.06516	0.4
131.08559	0.7
132.08064	0.3
133.05203	0.6
134.09683	0.4
141.06982	1.1
143.07323	0.6
144.05667	1.3
144.08122	1.2
145.06494	3.2
146.06009	8.4
147.06718	0.4
148.07613	0.5
148.49887	0.2
149.02341	0.7
150.09125	1.3
153.06946	0.4
154.06488	1.4
155.06047	0.5
155.07266	0.5
155.08546	0.3
156.08066	2.3
157.06438	0.3
157.08821	0.6
158.06035	0.5
158.07259	0.8
158.09657	0.9
159.06781	3.6
159.08046	1.4
160.07581	6.8
165.06956	0.6
166.06473	0.3
167.07428	0.3
168.08109	2.1
169.06474	0.8
169.08795	0.2
170.06017	6.3
170.09665	0.3
171.06793	4.9
171.10394	0.9
172.07578	12.4
173.08353	2.5
174.09149	2.0
180.07962	0.2
181.10098	1.7
182.09692	2.1
183.06784	1.6
183.08128	0.3
184.07581	40.1
185.08354	28.3
186.09135	19.1
187.09682	0.9
196.11133	0.2
197.08318	0.4
198.09140	11.3
199.09915	8.0
200.10686	8.9
212.10704	2.5
213.11467	2.6
213.15134	0.8
214.12270	0.8
214.15837	0.3
215.06993	0.6
215.34825	0.2
227.12979	1.0
240.13765	0.5
242.15392	100.0
243.06439	0.2
243.15710	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0651
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
55.01872	1.1
65.03938	3.6
68.99788	4.6
69.07059	0.3
70.91975	0.5
71.01360	0.5
72.00735	0.2
74.20107	0.2
79.05479	0.3
81.03391	0.3
81.07052	0.3
84.52994	0.2
91.05473	1.7
92.05816	0.5
93.03377	0.3
95.01328	0.4
103.05479	0.6
105.03377	0.3
107.04958	6.8
111.04460	0.3
115.05440	1.3
117.06969	1.1
119.04937	0.8
119.08603	0.7
121.02866	21.4
122.03230	0.3
123.04396	0.3
128.06270	0.5
129.06989	0.7
131.04930	2.0
131.08556	1.0
133.02853	1.1
139.05400	0.3
141.06984	9.1
143.08568	0.3
144.05710	1.0
145.06488	2.4
147.04408	3.2
147.08075	1.9
149.02338	100.0
150.02657	1.9
153.07135	0.3
155.04948	0.3
155.06068	0.5
155.08543	0.6
157.06496	0.6
158.07173	0.2
159.08055	1.4
163.07605	0.2
167.03448	1.4
168.05763	0.3
168.09326	0.3
169.06476	10.6
169.10135	0.6
170.06935	0.3
171.04478	0.3
173.06030	2.4
173.09686	0.5
175.07474	0.3
181.72061	0.2
183.08118	0.3
185.05974	0.8
186.06613	0.3
187.07549	3.1
196.08800	0.3
197.05981	12.3
197.13275	0.6
198.06593	0.5
199.07486	0.4
200.04762	0.5
201.09105	1.7
213.05435	0.7
215.07022	93.0
216.07364	2.2
218.79633	0.2
225.05472	0.7
225.12706	1.3
243.06517	39.6
243.13643	2.9
244.06868	1.5
244.09007	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0651
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
51.02381	0.2
54.49038	0.2
55.01875	1.0
55.10537	0.2
57.16854	0.2
63.88478	0.2
65.03935	3.8
68.99786	5.0
70.26913	0.7
75.94856	0.2
79.05485	0.7
81.03415	0.4
81.07030	0.4
91.05479	7.6
92.05811	4.9
93.03416	0.4
103.05470	0.4
105.03385	0.4
107.04952	7.9
111.00777	0.3
111.04400	0.4
115.05476	1.9
117.07053	1.2
119.04924	0.9
119.08567	0.7
121.02863	21.4
128.06223	0.5
129.06972	0.7
131.04904	1.4
131.08553	1.4
133.02829	0.4
136.32045	0.2
141.06985	7.5
141.08081	0.4
142.07681	0.3
144.05714	0.7
145.06482	1.7
147.04407	3.6
147.08038	2.4
149.02336	100.0
150.02640	1.8
150.09142	0.3
155.06032	0.3
157.06465	0.5
159.08052	1.4
160.90892	0.3
162.61292	0.2
167.03404	1.4
168.05646	0.5
169.06476	9.5
171.04376	0.2
173.05984	2.1
182.10460	0.7
182.25592	0.2
185.05946	0.8
185.07741	0.2
185.09489	0.2
187.07549	2.5
188.56789	0.2
197.05969	11.3
197.13165	0.2
198.06589	0.8
200.04745	0.4
201.05534	0.3
213.05408	1.1
213.08965	0.4
215.07021	91.9
216.07358	3.0
219.31503	0.2
225.05502	0.8
243.06519	40.7
243.15747	3.0
244.06885	1.3
261.58005	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0653
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
55.01868	1.0
55.05523	0.3
55.07200	0.2
56.39324	0.2
65.03944	3.0
68.99432	0.4
68.99789	4.5
69.44842	1.3
69.45252	0.4
71.09135	0.2
73.78516	0.2
79.05485	0.3
80.07899	0.2
81.03429	0.3
81.07047	0.3
91.05494	1.2
93.03426	0.4
93.07040	0.3
95.04980	0.3
103.05500	0.4
107.04957	6.6
111.04441	0.8
115.05448	1.2
117.07019	1.1
119.04946	0.5
119.08570	0.7
121.02866	20.9
121.10116	0.4
122.03163	0.6
129.06958	0.5
131.04947	1.6
131.08595	1.4
133.12827	0.2
141.06990	7.7
143.08534	0.3
144.05696	1.2
145.06480	2.1
147.04401	2.9
147.08049	2.9
149.02339	100.0
150.02638	2.3
155.06068	0.3
155.08450	0.2
157.06454	0.6
159.08035	1.6
160.89590	0.2
167.03410	1.6
168.05734	0.6
169.06477	9.8
172.08675	0.3
173.05951	2.0
174.70818	0.2
179.10786	0.2
185.06027	0.6
187.07541	2.7
195.05400	0.3
197.05980	12.3
198.06476	0.7
200.04579	0.7
207.13687	0.3
213.05435	1.0
215.07028	98.9
216.07368	3.3
243.06522	51.3
244.06888	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0862
Annotation	(+)-Butalactin
Peak:m/z	Relative Intensity
50.70579	1.8
53.03938	5.4
55.01872	13.2
55.05511	26.2
57.03440	18.9
61.02919	3.5
63.01814	1.7
65.03941	7.7
67.01880	3.4
67.05506	23.6
68.99786	5.9
69.03432	100.0
69.07082	5.1
71.01364	15.8
71.04998	15.4
71.29260	3.0
71.63223	1.8
72.08140	1.9
73.02911	5.4
79.05488	18.0
81.03424	24.2
81.07056	13.1
83.04984	84.3
85.02905	55.3
85.03424	2.0
85.06552	4.1
87.04482	12.9
91.05486	22.0
92.05809	13.0
93.07028	3.7
95.04968	38.2
95.08603	3.4
97.02892	76.9
97.06531	12.9
99.04464	18.8
100.11293	4.1
101.02374	1.9
101.06000	4.0
105.07046	8.5
107.04955	15.6
107.08608	3.5
109.02884	5.1
109.06509	12.8
110.03693	2.1
111.04446	99.3
113.02386	3.9
113.06021	10.1
115.03957	11.3
115.05458	1.8
116.25181	1.8
117.07026	3.1
119.04961	2.3
119.08620	2.8
121.02860	12.7
121.06509	4.5
121.10088	2.2
123.04439	18.5
125.06014	12.6
127.03925	7.3
129.05476	8.3
129.07042	2.4
131.08574	5.2
133.04984	1.8
133.06482	6.1
135.04428	3.0
137.05991	6.7
139.03897	53.4
141.05460	2.9
141.07001	5.2
143.03413	2.8
145.10123	3.4
147.04370	3.2
147.08063	3.2
149.02339	62.0
149.05986	4.1
150.02711	2.5
151.03912	6.2
151.07553	4.4
153.05486	12.0
155.07175	1.9
155.08598	3.6
157.04980	3.7
157.10133	2.1
159.11705	4.1
159.14957	2.9
161.05959	4.0
165.05507	7.7
167.03395	5.5
169.04970	10.5
169.06505	5.3
169.10121	3.4
179.07074	3.5
180.36746	1.8
183.06534	8.2
183.11856	2.2
187.07620	1.9
195.06560	3.6
197.05978	7.7
197.07976	2.3
197.13229	2.0
207.06569	5.2
213.07387	1.9
215.07031	58.0
215.09016	3.9
216.07452	2.7
217.34869	1.8
225.07524	7.2
225.16583	2.0
234.37975	1.8
243.06480	26.3
243.08675	15.9
243.13823	4.3
243.17526	8.3
243.21117	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0863
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03936	3.5
55.01860	1.9
57.03432	2.6
60.07955	0.7
61.02924	9.0
61.09754	0.9
65.03943	10.1
67.05505	4.3
68.99780	1.4
69.03422	1.9
69.07067	1.2
69.42664	3.5
72.00967	1.0
75.04458	1.6
76.12206	0.8
79.05491	5.6
81.03425	1.2
81.07050	3.7
82.04188	2.4
84.08121	1.4
85.02903	4.0
91.05479	18.9
93.03400	6.2
93.07066	0.9
94.04191	1.5
95.04967	13.5
97.02931	1.2
97.06517	1.5
101.14213	0.8
105.03375	3.1
105.04505	1.4
107.04947	9.1
108.02086	2.0
109.02811	1.0
109.06525	12.2
110.03669	4.9
111.04440	5.8
119.04933	7.3
121.06475	1.2
122.03659	1.8
123.04425	13.5
125.02370	5.6
125.05996	7.0
131.04906	1.0
133.02861	10.4
135.04347	4.3
137.02345	1.4
137.05977	21.2
137.07027	1.0
138.03102	1.2
139.88728	0.9
140.04681	100.0
141.05035	1.4
142.02606	1.7
147.04417	5.8
148.01524	0.9
149.02318	1.5
149.05940	1.1
151.03915	3.1
151.05009	1.1
152.04646	2.4
153.05493	3.7
154.02621	2.0
154.06293	1.2
155.07024	73.2
163.03882	3.7
165.01765	1.2
165.05460	15.7
169.04974	7.6
171.06534	3.8
173.08109	4.9
174.03127	1.0
179.07024	10.6
180.04201	14.5
181.04948	69.4
182.05295	1.1
183.06552	3.6
192.04056	1.3
193.03232	1.3
193.04967	22.5
195.06557	10.4
196.07253	0.8
197.06009	2.9
197.08102	8.9
207.06526	24.9
215.06995	2.1
218.31049	1.0
225.07550	13.6
243.06439	2.7
243.08681	7.5
243.10840	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0864
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
51.69507	0.8
51.71837	0.8
53.03942	3.3
55.01864	1.1
56.96549	1.1
57.03423	1.0
61.02930	10.3
65.03934	7.9
67.05497	3.8
69.03433	2.1
69.07057	0.9
69.45998	2.7
69.46402	2.2
78.04706	1.1
79.05493	6.3
81.07060	4.2
82.04196	2.2
85.02892	5.5
91.05486	19.9
93.03397	1.9
94.04193	1.1
95.04967	13.8
97.02914	0.9
97.06539	2.2
98.53599	0.9
103.05480	1.1
105.03400	3.6
105.04530	1.5
107.04944	8.5
108.02075	2.0
109.06523	15.1
110.03688	4.6
111.04429	2.5
116.98593	1.2
118.04060	1.0
119.04950	6.1
122.03687	1.8
123.00813	0.8
123.04421	13.5
125.02341	6.7
125.06004	3.9
128.58136	1.0
133.02852	12.2
135.04379	4.1
137.05968	22.6
138.03108	1.8
140.04681	100.0
141.05093	1.5
142.02621	2.4
147.04420	6.4
148.01532	0.9
151.03912	2.0
152.04677	2.6
153.05476	3.7
155.07027	81.6
156.07327	1.1
163.03949	2.9
165.01936	1.4
165.05482	18.4
166.23573	1.1
167.07048	1.3
169.04980	1.6
171.05032	0.9
171.06557	3.0
173.08093	5.4
179.07019	9.3
180.04153	15.4
181.04948	69.3
182.05391	1.5
183.06541	3.1
184.03687	1.3
192.04259	1.1
193.04961	21.9
195.06526	12.2
196.07120	1.2
197.06026	3.3
197.08102	8.8
200.84729	1.1
207.06519	25.3
210.38849	0.9
215.06979	1.1
225.07536	14.6
243.06465	6.2
243.08682	10.3
243.12151	1.3
248.37361	1.1
258.87747	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1592
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
50.96723	4.2
53.91996	4.3
55.01879	10.7
55.05504	28.8
55.60400	4.7
57.03430	11.3
57.07079	10.5
59.04992	8.1
65.04299	4.5
67.05503	33.3
69.03436	17.8
69.07064	34.9
69.29189	33.4
71.04990	21.6
73.66199	5.2
79.05491	34.7
81.07066	89.1
83.04984	30.5
83.08650	5.5
85.02913	20.4
85.06548	14.5
86.09721	5.4
91.05482	26.2
93.07024	26.0
95.04974	40.9
95.08603	77.1
97.06531	46.4
97.10176	8.9
99.04475	23.3
99.08134	7.3
102.09180	5.9
105.07040	51.5
107.08595	68.5
109.06497	46.1
109.10149	36.3
111.04432	78.4
111.08096	19.9
113.06030	6.3
114.09155	5.1
117.07043	9.5
119.04935	7.3
119.08575	80.5
121.06548	10.7
121.10141	57.5
123.04482	7.5
123.08075	80.8
123.11709	41.4
125.05969	8.6
125.09663	13.5
127.07578	14.2
128.06297	5.7
129.06989	6.9
131.08650	11.6
133.10133	18.6
135.08032	23.8
135.11723	13.7
137.06039	13.3
137.09630	20.0
137.13275	19.9
139.07520	7.7
139.11171	9.1
141.06978	11.3
141.09135	11.0
141.12724	9.5
145.06624	5.3
145.10159	7.3
147.08118	7.0
147.11681	67.7
149.02299	5.2
149.09619	28.4
151.07547	35.2
151.11226	17.9
153.09140	7.9
156.09335	10.1
161.09726	5.5
161.13251	29.1
163.11198	17.0
165.12781	39.5
167.10686	10.1
168.23219	5.2
169.06447	6.8
169.08669	11.1
169.10178	8.0
169.12250	14.3
171.11752	15.2
173.06013	9.5
174.10559	6.4
177.12555	6.4
179.14342	20.5
189.12752	59.6
197.05940	23.4
197.13190	5.7
207.13799	100.0
210.00961	5.4
214.08720	12.3
215.07054	12.9
225.14867	50.5
226.14507	9.8
243.06436	38.0
243.11375	10.8
243.13611	17.3
243.15968	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	9.4
55.05510	26.3
57.03440	11.7
57.07064	11.5
59.04980	6.3
59.74482	6.0
59.78483	5.3
67.05505	33.7
69.03424	18.4
69.07068	40.3
70.26543	11.6
71.04999	17.2
73.51501	6.2
79.05493	35.5
81.07060	100.0
83.04982	25.5
83.08628	11.9
85.02905	15.4
85.06541	16.6
91.05489	23.8
93.07033	28.4
95.04974	16.5
95.08614	91.1
97.06525	52.5
97.10186	7.9
99.04452	20.7
99.08078	13.2
105.07036	52.2
107.08601	75.3
109.06525	49.5
109.10149	35.2
109.67461	5.8
111.04443	95.5
111.08086	20.3
113.05970	5.9
117.06998	9.7
119.08579	66.7
121.10163	56.1
123.08077	80.2
123.11704	51.9
125.05984	6.1
125.09626	13.5
127.01948	5.1
127.07561	21.6
131.08563	10.5
133.10127	20.4
135.08032	33.5
135.11691	9.5
135.88432	6.1
137.05965	19.2
137.09618	20.3
137.13252	36.3
139.07571	7.0
139.11171	9.6
141.06990	7.8
141.09103	8.0
141.12752	8.8
143.08549	6.7
145.10118	13.2
147.08057	10.0
147.11687	78.9
149.09648	41.8
151.07550	32.4
151.11176	29.5
155.10542	6.4
156.09369	11.5
159.11636	7.0
161.13283	28.8
162.96289	6.0
163.11194	16.7
165.12744	61.2
167.10690	9.9
169.08598	14.4
169.12216	10.6
171.11708	14.8
173.35263	6.6
174.10393	6.8
179.14314	24.8
181.12210	7.2
183.13808	6.4
189.12750	83.2
197.05959	9.1
197.13033	6.6
207.13799	91.1
225.14870	58.4
225.63258	6.0
232.26221	5.2
243.06595	12.0
243.15929	58.5
246.69345	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0444
Annotation	1,3,5-Trihydroxyxanthone
Peak:m/z	Relative Intensity
55.01886	0.3
55.05507	0.2
56.53959	0.1
63.97532	0.1
68.99786	2.1
69.03432	0.3
70.56213	0.4
71.58207	0.1
79.05466	0.3
83.04986	0.2
85.02883	0.5
86.09702	1.8
91.05466	0.6
95.04954	0.2
97.06522	0.2
103.05456	0.5
105.07004	0.7
107.04986	0.3
115.05444	2.8
117.07011	0.3
119.04942	0.8
121.02914	0.2
121.06496	0.2
123.04398	0.4
126.03699	0.1
130.06535	0.2
131.04913	0.4
133.06509	0.5
134.98164	0.1
135.04416	0.1
139.03873	0.4
142.07831	0.1
143.04936	1.1
143.08536	0.2
145.06517	0.2
145.10152	0.2
147.04378	2.0
149.05942	0.3
149.70897	0.2
149.91357	0.2
155.01585	0.3
155.04927	1.2
157.07605	0.5
161.05998	1.5
163.03798	0.2
171.04402	5.9
172.04755	0.2
175.03888	1.5
176.04745	0.2
177.05530	0.4
183.04430	0.3
185.07144	0.7
189.05492	2.0
196.46654	0.1
199.03896	6.8
199.07640	0.2
199.12367	0.2
200.04489	0.4
203.03369	1.2
203.06998	0.3
213.06558	0.3
216.04150	0.4
217.04968	3.9
227.03406	1.0
227.06949	0.2
227.11952	0.1
244.03729	0.5
245.04437	100.0
246.04767	3.1
246.83974	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84119	0.2
55.05513	0.4
56.05048	0.3
56.96563	0.6
57.03442	0.4
58.06601	0.5
58.99861	0.7
60.16225	0.2
66.26214	0.2
69.07082	0.3
70.06595	0.6
71.30505	0.4
72.08161	0.6
77.00906	0.5
81.03417	0.3
82.99886	0.8
84.04501	0.3
84.08147	1.2
85.02905	2.4
86.06105	0.3
86.09705	0.7
86.99345	0.3
97.02893	0.3
98.97601	1.0
100.07617	1.1
100.11265	0.3
101.00876	8.3
102.00942	0.3
102.96873	0.5
103.00631	1.9
103.02451	0.4
105.03288	0.2
113.00832	0.6
115.02431	1.1
116.98636	0.9
117.04021	1.3
117.10304	0.4
119.01921	33.0
120.01994	1.8
120.97901	0.7
121.01659	6.3
124.97594	0.3
125.07101	0.2
127.02462	0.2
128.03424	0.5
131.01900	2.2
132.06531	0.8
133.03468	1.3
134.99689	0.6
135.05034	1.0
136.99655	0.7
137.02960	10.8
138.03055	0.8
138.98927	0.5
139.02655	1.9
139.03699	0.3
141.03954	0.6
142.03506	0.6
142.98552	0.5
143.01895	3.4
145.03424	1.4
155.00706	0.5
155.01886	1.6
157.03476	7.4
159.05046	3.6
160.99637	1.6
161.02960	12.3
162.03181	0.3
163.04535	0.3
167.01898	0.4
169.03474	0.3
173.02942	2.5
174.04031	0.5
175.04536	3.4
177.00940	1.2
177.02744	0.6
177.06084	2.1
178.01172	1.1
179.00693	23.8
179.03963	3.6
180.00845	1.0
183.05017	1.8
184.04608	0.4
184.99655	0.7
185.01276	0.5
185.02956	8.9
186.03006	0.6
187.04530	0.9
191.04044	0.3
195.03789	0.4
197.03076	0.5
199.04294	0.5
201.06078	4.6
203.00734	2.0
203.04004	19.3
204.04179	0.7
215.04062	0.7
217.05505	0.6
217.09175	0.3
219.01915	0.6
219.03857	3.8
219.07140	2.8
220.02161	0.5
221.01773	25.1
221.05176	0.8
222.02014	1.5
226.05629	0.5
227.00656	1.9
227.04022	1.4
227.13936	0.3
233.05089	0.6
244.03471	0.4
244.98067	0.7
245.01830	9.1
245.04915	14.7
245.12169	0.5
245.14995	0.7
245.18790	0.3
246.04938	0.3
246.13362	0.4
246.18198	1.1
261.03046	0.9
263.02863	100.0
264.03030	4.5
265.03275	0.4
268.03543	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29510	1.2
55.01869	2.3
55.05509	2.7
56.96583	2.0
57.03427	1.8
58.06594	5.5
64.10574	1.3
67.05545	1.6
67.93353	1.5
68.05012	1.7
68.99793	2.3
69.03422	1.8
70.06589	3.9
71.30011	2.3
72.05618	2.0
72.08156	3.2
79.05504	1.7
80.05003	2.1
81.03416	1.9
81.07051	1.3
83.04993	2.6
83.06114	2.3
84.04517	14.0
84.08140	3.5
85.02909	3.8
86.06044	2.2
97.02901	2.8
97.06541	3.2
98.97580	2.8
100.05103	4.1
100.07629	14.2
100.11258	10.9
101.00877	8.9
104.61745	1.4
105.07018	1.6
107.04965	1.8
110.05974	1.6
110.09713	3.1
111.04440	1.7
113.00888	2.6
114.03780	2.2
114.05521	5.0
116.98575	1.5
117.10258	6.8
119.01923	18.7
121.01633	2.3
128.00774	31.3
129.07057	3.6
130.05008	11.4
131.01909	5.9
132.08134	1.3
132.74182	1.5
133.07645	1.8
137.02992	3.2
138.09123	1.7
138.47707	1.5
139.03896	2.5
142.03224	3.9
142.05003	6.3
143.01929	4.9
145.03485	4.6
147.04468	1.7
147.78320	1.3
155.01857	6.7
156.10228	3.3
157.03465	4.1
157.06494	2.8
161.02989	12.0
161.07094	10.8
168.06580	2.8
170.02834	4.8
171.06581	2.3
173.03001	7.6
174.04062	3.7
175.04469	1.9
175.07552	1.8
177.05545	2.7
179.00685	7.7
184.09723	11.0
185.02965	8.9
185.06003	3.3
197.02975	4.7
199.04092	2.5
199.07481	2.4
201.12331	9.7
202.10747	7.9
203.03947	3.8
213.05568	1.7
217.08641	2.5
221.01770	9.3
221.05023	4.4
222.01573	1.7
227.05112	1.9
245.01820	2.6
245.04793	26.6
245.09984	100.0
246.04807	1.7
246.10197	1.9
246.18170	11.4
262.99680	2.6
263.02924	40.8
263.06161	7.6
264.03104	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1172
Annotation	5-Hydroxybisphenol A
Peak:m/z	Relative Intensity
53.03938	4.9
55.01871	9.4
55.05497	3.0
57.03417	1.0
59.73487	0.8
65.03929	2.7
67.01855	1.1
67.05501	10.2
68.99781	1.5
69.03430	24.1
69.07063	1.9
70.36342	1.8
77.01933	0.9
77.03897	1.3
79.05056	1.6
79.05492	17.6
81.07054	17.6
83.01368	0.8
83.04965	3.1
83.08624	0.8
87.04472	7.0
91.05476	21.4
93.07044	14.0
95.04972	9.2
95.08614	2.3
97.02895	6.5
97.06528	41.2
99.67031	0.8
103.05471	2.6
105.07031	20.9
107.04938	4.3
107.08591	33.5
109.02875	14.4
109.06525	7.6
111.04449	14.4
111.08052	3.1
113.02367	0.9
115.05437	8.8
116.06267	1.3
117.07021	8.6
119.04939	2.2
119.06042	1.3
119.08573	16.1
121.06517	11.0
121.10175	1.5
123.04423	24.6
123.08021	1.1
126.26949	0.9
128.06218	17.3
129.07018	14.3
130.07782	2.5
131.04872	2.3
131.08565	14.0
132.05743	1.5
133.06450	5.1
133.10129	7.6
135.04399	2.7
135.08044	56.7
136.08368	0.8
137.02330	1.2
137.05968	6.0
137.17139	0.8
139.03883	4.0
141.06976	14.4
142.07774	22.5
143.08571	26.2
144.05704	1.2
144.09380	5.5
145.06494	8.0
145.10081	4.7
145.15472	0.9
146.07274	3.5
147.04427	1.0
147.08041	12.1
147.11685	3.4
149.05963	4.7
149.09599	2.9
151.03836	1.1
152.06163	1.2
153.06970	5.3
154.07765	1.9
155.06029	1.6
155.08560	5.3
156.09344	28.6
157.06508	3.1
157.10138	21.2
158.07249	5.8
158.10818	1.4
159.08051	10.4
159.11681	12.7
160.08830	5.3
161.05978	2.3
161.09625	10.3
161.13248	2.1
163.07545	6.5
165.06984	7.1
166.07808	8.5
167.08574	1.8
168.09360	3.0
169.06447	8.6
169.07637	1.1
169.10120	2.7
170.07236	4.8
171.08054	11.0
171.11673	23.2
172.08784	3.4
173.09590	5.6
173.13210	1.1
174.06718	4.2
174.10399	2.0
175.07516	7.1
175.11168	7.7
181.10120	14.1
183.08061	3.7
183.11638	1.6
184.08835	17.1
184.10339	0.7
185.09607	17.8
186.10347	1.5
187.07542	3.1
187.11176	8.7
188.08333	11.3
189.05487	1.1
189.09091	10.6
189.10789	1.3
189.12723	5.1
194.07237	1.0
197.06033	2.0
197.09633	2.5
199.07541	11.8
199.11177	57.3
200.11565	2.5
201.08975	2.2
202.09888	5.4
203.10661	100.0
204.10980	3.3
209.09587	6.5
211.07503	1.6
212.08325	11.2
215.10677	6.5
216.07864	1.3
217.08630	6.2
217.12225	54.4
218.12514	2.0
227.10660	53.8
228.11031	2.0
230.09410	1.4
245.11725	70.8
246.12109	2.6
246.14771	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.05495	0.9
57.03429	1.5
59.98489	0.7
61.16346	0.7
62.94705	0.7
67.05504	3.5
69.03441	0.9
69.65214	2.8
79.05485	1.1
91.05475	7.9
93.07047	8.9
95.08598	7.4
97.06528	1.6
103.05431	0.8
104.06364	0.8
105.07003	4.6
110.53139	0.7
111.08073	6.9
115.05509	1.1
117.07030	1.7
119.08584	100.0
120.08930	1.8
121.06489	1.1
131.08560	3.4
133.10127	26.9
139.07561	4.9
142.07771	1.5
143.08553	1.5
145.10109	1.4
146.10851	0.9
147.11687	11.8
155.08524	1.1
156.09366	4.5
157.10115	5.7
159.11681	2.0
169.10149	1.9
170.10916	3.0
171.11700	12.9
173.09669	0.9
175.11212	3.0
179.08606	1.4
184.12430	1.1
199.14839	13.7
201.16370	0.8
202.07773	9.0
203.08574	4.7
203.10291	0.8
209.13170	1.9
215.08560	21.6
216.09258	5.2
217.10115	5.4
217.15889	3.4
226.07899	1.0
227.08545	1.0
227.14331	4.6
229.10112	8.6
230.10844	32.9
231.07988	2.0
231.11594	3.7
243.11661	1.1
244.08739	1.3
244.12151	1.5
245.09613	21.5
245.13231	63.4
245.15421	5.6
245.26831	1.1
246.10406	4.5
246.13768	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56165	1.3
53.03944	1.6
55.05512	2.8
55.27871	1.2
57.90554	1.1
61.40395	1.2
67.05498	2.7
69.07065	1.9
69.26310	9.2
81.07042	2.3
82.58289	1.2
83.08601	2.0
84.88461	1.3
91.05477	6.6
93.07042	13.4
95.08603	8.7
97.06526	1.8
105.07005	7.4
107.08598	3.4
111.08059	7.6
117.07043	1.6
119.08581	100.0
120.08926	1.9
121.10119	1.9
131.08549	3.1
133.09203	2.5
133.10127	27.2
139.07552	3.0
141.82364	1.6
142.07784	2.0
143.08563	4.0
145.10130	2.4
146.86742	1.4
147.11690	12.8
156.09358	4.9
157.10115	7.0
159.11726	2.5
169.10144	2.2
170.10899	3.6
171.11687	14.8
175.11166	2.3
185.09656	1.9
185.13217	2.9
199.14857	12.3
202.07959	1.7
209.13263	2.4
215.08609	5.2
216.09296	2.6
217.15909	2.5
227.14354	5.6
229.10104	2.5
230.10849	8.7
245.09587	2.5
245.13234	20.6
245.15456	6.1
245.22591	4.0
246.13774	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1748
Annotation	Sarmentoic acid
Peak:m/z	Relative Intensity
53.03940	5.3
55.01862	3.2
55.05513	24.6
56.24446	3.1
57.03450	4.5
57.07040	5.5
59.04970	4.9
64.90999	3.4
67.05498	9.4
69.03434	21.9
69.07072	27.5
69.13516	3.0
70.62102	9.3
71.04980	6.4
73.16170	3.0
79.05493	10.6
81.07053	20.9
83.04984	29.0
83.08607	9.3
85.02885	4.0
85.06531	12.8
91.05479	59.8
93.07031	15.9
95.08607	20.9
97.02881	7.9
97.06532	15.1
97.10173	9.5
99.08089	57.5
105.07035	9.6
107.08582	33.9
109.06531	4.6
109.10146	18.5
111.08095	9.5
113.06032	4.3
113.09644	9.7
115.07558	36.1
117.07029	3.7
119.08575	7.2
121.10143	33.6
123.08154	3.5
123.11689	9.7
125.09628	48.9
127.07494	5.3
127.11214	8.9
130.07809	3.3
131.08586	9.1
133.10162	16.1
135.08060	7.9
135.11694	6.0
139.07562	6.9
139.11099	3.9
143.08620	6.0
145.10109	3.9
149.09596	19.9
149.13283	5.7
151.11180	9.1
153.09114	32.2
153.12779	13.0
157.10158	4.4
163.14845	21.4
165.12862	3.4
171.11716	4.2
173.13281	6.4
181.15883	9.2
189.09277	3.4
191.14261	19.0
199.11122	4.1
209.15352	73.8
218.61263	3.5
227.14264	7.3
227.16418	100.0
245.04486	16.0
245.11818	11.4
245.15355	6.1
258.23892	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1859
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
55.01873	0.5
55.05498	0.4
63.69209	0.3
69.03425	0.7
69.07059	0.8
69.56114	0.7
69.56528	1.2
70.10240	0.3
71.04995	0.4
71.57762	0.4
78.62703	0.3
79.05477	0.7
81.07038	0.6
86.09702	100.0
86.94979	0.3
87.10045	1.0
91.05497	1.0
93.07041	0.6
97.02887	0.6
97.06544	0.7
104.28259	0.3
105.07021	0.9
107.08591	0.6
115.05428	0.6
117.07056	0.5
119.08597	0.5
123.04330	0.4
128.06236	1.0
129.06998	1.0
129.81360	0.3
131.04903	0.5
131.08543	0.7
132.10199	3.4
133.06467	0.5
135.08054	1.1
141.06967	1.0
142.07825	0.4
143.08536	0.8
143.54628	0.4
145.06468	0.6
147.04362	0.5
153.06920	0.6
156.09320	0.8
157.06467	0.9
157.10115	0.7
161.05974	0.8
171.04364	0.4
171.08015	0.9
171.11713	1.0
181.06439	0.4
185.05836	0.7
185.07228	0.6
185.09605	0.8
189.05522	0.4
189.12683	0.4
199.03922	1.0
199.07523	0.7
199.11192	1.6
199.18024	1.3
203.03433	0.7
203.06889	0.4
203.10651	1.4
209.89120	0.4
212.08441	0.4
215.10881	0.4
217.04933	0.9
217.12221	1.6
227.10648	1.5
245.01997	0.8
245.04448	13.3
245.08200	0.6
245.09297	1.1
245.11407	2.4
245.18571	4.3
246.04912	0.4
246.18507	0.4
246.36574	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.004
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06310	0.4
69.59464	1.8
77.45365	0.4
87.73771	0.3
98.23229	0.7
104.99273	100.0
117.43911	0.4
158.50630	0.4
164.92018	1.7
181.39810	0.3
247.00388	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.015
Annotation	Unknow
Peak:m/z	Relative Intensity
63.44770	0.3
63.94551	0.7
69.07706	3.8
81.37009	0.4
82.05718	0.4
84.99706	0.5
88.29052	0.3
92.51252	0.4
96.46481	0.4
98.97664	0.4
101.00993	1.4
103.00006	0.8
103.00639	5.8
104.10609	0.4
116.55893	0.3
119.01936	3.4
120.02128	0.7
121.01671	12.8
137.03040	0.6
138.99490	0.6
139.02699	2.4
140.98917	0.7
144.98431	0.7
158.99892	3.4
162.99350	3.2
163.12506	0.4
177.00949	25.4
178.01001	1.8
179.00682	3.7
180.00804	2.2
181.00417	22.2
185.01514	0.8
186.99525	0.9
195.01921	0.5
201.00974	0.5
203.00609	0.8
203.02510	15.0
204.02621	0.7
205.00331	2.5
210.99371	0.9
219.02003	5.8
219.03894	0.6
220.02327	0.4
221.01982	2.4
221.03471	2.7
222.01984	1.6
223.01530	25.6
224.01640	0.5
229.00381	6.5
247.01498	73.5
248.01608	4.9
263.02863	3.0
265.02652	100.0
266.03116	2.2
267.03271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	1.8
60.08173	1.4
69.71571	5.3
72.08165	1.4
84.08167	1.8
85.63495	1.1
100.07610	3.8
101.00868	4.9
104.10741	13.8
115.02462	1.2
117.10245	5.0
118.08660	2.6
119.01893	6.4
133.03455	1.5
143.01862	1.2
147.03273	1.3
150.72787	1.0
157.03537	1.6
159.05049	2.1
161.02982	3.0
167.03185	1.4
175.04553	4.0
201.15994	3.6
215.00357	1.3
229.03203	34.6
246.18047	1.6
247.04274	100.0
247.06520	3.5
247.16501	7.1
247.18440	2.1
248.04660	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88934	0.8
58.06604	1.7
69.73545	4.8
75.41781	0.8
77.00098	1.0
86.85725	1.0
91.38161	1.0
100.07619	4.7
101.00882	5.1
116.70674	1.0
117.10235	2.5
119.01937	7.1
122.14667	1.1
131.01913	1.1
133.03520	1.3
143.01830	1.2
144.99831	1.1
147.43985	1.0
167.03212	1.9
187.02197	1.7
215.00371	2.7
229.03210	30.7
246.18140	4.4
247.04260	100.0
247.18713	1.3
248.04602	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0964
Annotation	Fraxinellonone
Peak:m/z	Relative Intensity
53.03948	3.6
55.01870	15.8
57.03419	1.3
58.23756	1.0
61.02929	5.0
67.05511	6.4
68.99788	6.0
69.03430	5.3
69.23286	2.3
69.23694	6.3
71.01352	1.3
73.02922	2.3
77.03934	1.1
79.05482	5.8
81.03418	52.2
81.07049	6.9
81.59918	1.0
85.02905	7.4
87.73166	0.9
91.05474	18.2
93.07063	5.4
95.04980	6.2
95.08609	13.1
97.02912	3.3
103.05483	5.3
105.07034	24.1
107.04955	7.4
109.02891	1.5
109.06500	6.6
111.00809	3.3
111.55553	1.1
115.05447	15.2
116.06223	3.7
117.07012	13.0
119.08589	2.2
120.05725	1.9
121.02851	7.4
121.06503	25.7
121.07346	1.6
123.04423	5.9
123.08070	2.2
128.06224	35.4
129.07013	26.0
130.07756	1.9
131.04913	9.5
131.08568	15.1
133.06487	24.0
133.07419	2.0
135.04402	2.9
137.02347	3.0
141.06978	16.8
141.15758	0.9
142.07460	1.4
143.08577	8.7
144.05705	11.9
145.06493	20.9
145.10112	3.8
147.04453	2.8
147.08086	5.2
151.03926	3.4
151.07539	100.0
152.06203	1.8
152.07889	2.1
153.01833	14.2
153.06981	9.2
154.07805	4.8
155.04901	3.6
155.06062	3.4
155.08553	17.6
156.05663	1.3
157.06488	62.8
158.07280	19.1
159.04451	2.9
159.08060	35.6
159.11716	1.2
161.05992	3.9
161.09654	2.1
163.03905	5.0
165.05447	3.1
165.07007	8.4
168.05702	4.5
169.06488	8.6
170.07216	1.4
171.08049	43.4
172.08807	2.5
173.05992	6.0
173.09656	7.5
175.07555	18.3
177.05513	2.0
177.09039	2.4
179.07025	46.6
181.06500	1.7
183.04472	1.8
183.08044	22.0
184.62271	1.3
185.05986	15.9
186.06746	1.9
187.03937	1.4
187.07547	18.5
189.09097	17.8
191.07085	2.3
193.06374	2.0
199.07523	4.1
201.05479	7.5
201.09113	36.4
201.12894	1.5
203.07030	8.1
205.05026	2.4
211.07545	12.5
217.08565	11.7
227.64050	1.2
229.05243	6.0
229.08577	50.1
229.12042	2.0
229.86362	1.0
247.06035	54.8
247.09689	36.8
247.13354	3.0
248.06226	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0965
Annotation	Fraxinellonone
Peak:m/z	Relative Intensity
53.03934	3.9
55.01628	1.5
55.01873	15.1
55.05509	1.7
57.03431	1.6
61.02921	3.1
63.92195	0.8
65.03945	1.5
67.01860	1.4
67.05508	6.2
68.99788	10.2
69.03433	6.2
70.76497	2.0
71.01354	1.5
73.02922	1.8
79.05496	7.2
81.03417	38.3
81.07053	6.7
83.04971	1.1
83.90833	0.9
85.02914	6.5
91.05477	17.1
93.07034	6.0
95.04958	5.2
95.08618	10.4
97.02890	2.3
97.06504	1.1
99.45631	1.0
103.05480	6.5
105.07032	24.7
107.04951	10.6
107.08619	1.6
109.02875	3.7
109.06487	4.5
109.30330	0.9
111.00784	7.6
111.04431	1.9
112.15572	0.9
115.05446	16.8
116.06252	3.6
117.07011	15.0
118.06526	1.3
119.04935	1.8
119.08573	3.8
120.05747	2.1
121.02871	14.5
121.06507	20.8
121.10166	1.2
123.04430	4.9
123.05465	2.2
123.08045	2.6
127.05492	1.5
128.06224	28.6
129.07005	28.7
130.07811	2.3
131.04927	9.2
131.08574	14.4
132.05711	2.2
133.06493	19.0
135.04431	3.8
135.08098	1.6
137.02325	10.5
137.05981	1.9
138.40852	0.9
139.03865	1.2
141.06972	18.8
143.04921	2.1
143.08551	9.1
144.05719	8.1
145.02834	2.7
145.06491	17.9
145.10130	3.3
147.04414	2.7
147.08028	6.5
149.06012	4.2
151.03976	2.0
151.07541	83.1
152.06210	2.6
152.07942	2.4
153.01823	25.3
153.06975	7.6
154.07722	2.6
155.04913	6.9
155.06049	4.7
155.08542	12.8
157.00467	1.1
157.06482	53.6
157.10077	1.7
158.07281	17.5
159.04414	2.9
159.08058	32.6
159.11678	1.0
160.05254	1.4
161.05946	6.1
161.09621	1.9
163.03914	13.9
163.07544	1.9
165.05620	1.6
165.06976	9.2
168.05699	4.2
169.06462	12.7
169.07712	1.6
170.07327	1.1
171.04410	2.1
171.08041	36.2
172.08780	2.6
173.05943	10.0
173.09601	7.2
173.13307	1.8
174.06764	1.3
175.07533	19.5
177.05437	3.1
177.09126	2.1
179.07027	36.2
183.04449	4.4
183.08061	19.8
184.05179	1.5
185.05994	17.1
186.06735	1.4
187.03918	3.3
187.07535	18.7
187.11191	1.6
189.09091	15.0
191.06998	4.3
193.06316	1.2
197.05905	1.7
198.06758	1.3
199.07510	2.7
200.08324	1.3
201.05469	15.0
201.09093	32.4
201.12715	1.9
203.07008	11.1
205.04898	1.5
205.08574	1.1
211.07582	10.1
217.08583	12.8
219.06546	2.4
219.10088	1.7
229.05042	17.2
229.08516	39.0
229.12282	1.9
232.03799	1.1
247.06021	100.0
247.09697	33.5
247.13330	5.5
248.06319	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03942	3.2
53.56148	1.2
55.01869	2.0
55.05497	5.4
57.07068	1.3
65.03935	4.6
67.05499	5.3
69.03076	1.9
69.03429	22.0
69.06036	11.4
69.07069	1.4
73.99102	1.3
77.03890	1.2
79.05498	8.0
81.07053	7.6
83.04987	20.2
91.05477	17.9
93.03397	3.4
93.07056	12.1
95.04959	4.9
97.02885	7.2
97.06516	1.3
103.05445	1.4
105.07042	12.9
107.04949	1.9
107.08594	12.6
109.02891	10.9
109.06519	11.8
109.10159	1.2
111.04438	5.6
111.07982	1.1
115.05451	4.3
117.07039	9.4
119.08577	16.9
121.02884	3.2
121.05724	2.1
121.06512	16.5
121.10147	5.2
123.08073	3.9
125.05959	1.5
128.06209	3.4
129.07019	7.0
130.07771	1.3
131.08583	17.1
132.05710	2.9
133.06470	1.6
133.10144	10.7
135.08057	28.5
136.82423	1.2
137.05949	4.3
137.09598	3.0
139.03867	1.8
141.06975	2.0
142.07779	3.8
143.08560	10.8
144.09361	7.5
145.06473	11.1
145.10110	13.5
147.08047	5.0
149.09625	25.7
150.10364	4.2
151.11201	4.4
153.06996	1.9
153.09035	2.1
155.08546	6.0
157.10124	3.2
158.07304	2.7
158.10895	13.3
159.08073	13.3
159.11705	30.9
160.08829	4.2
160.11992	1.5
161.05899	1.4
161.09615	5.0
163.07561	19.8
163.11194	2.1
165.09125	1.6
167.08514	1.5
168.09354	6.4
169.10132	4.6
170.10942	5.9
171.08047	6.7
172.08856	18.5
173.06096	1.3
173.09637	30.5
173.11871	2.4
173.13260	31.4
174.13583	1.4
175.07574	2.2
177.09132	1.5
181.06464	2.4
183.11726	10.8
185.09613	2.3
185.13181	2.9
186.10414	23.0
187.11185	100.0
188.11600	4.0
189.09134	4.1
191.07027	40.4
191.08736	2.5
193.10065	2.3
196.08789	6.3
199.07545	1.9
201.12753	55.5
205.12225	6.0
211.11194	10.5
214.09888	3.5
215.85002	1.3
219.13783	5.6
225.53952	1.1
229.12234	62.6
230.12457	1.7
235.91264	1.2
247.13307	92.7
248.13672	3.1
258.81836	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	Pleurotellol
Peak:m/z	Relative Intensity
55.01890	0.5
55.05526	0.7
57.03459	0.4
59.46748	0.5
67.05506	1.9
69.03460	0.4
70.72613	0.5
70.72940	0.5
79.05494	2.6
81.07053	3.4
81.07454	0.3
83.04990	0.6
85.02939	0.5
88.70887	0.3
91.05479	6.0
92.01709	0.3
93.02975	0.3
93.07040	2.8
95.04990	0.4
95.08614	2.3
97.06541	0.3
100.00704	0.3
104.99292	0.4
105.07032	6.0
107.04958	0.7
107.08591	2.1
109.06542	0.5
109.10199	0.5
110.28829	0.3
111.04475	0.5
115.05475	0.6
116.06255	0.5
117.07025	4.1
119.08595	2.9
121.06483	2.2
121.10161	0.4
123.04505	0.4
123.08053	0.3
128.06190	0.5
129.07036	1.2
131.08562	9.1
131.09496	0.6
133.06500	0.4
133.10135	3.2
135.04442	0.8
135.08063	1.1
141.06978	1.3
142.42426	0.4
143.08595	1.2
144.05717	0.7
145.06476	2.4
145.10121	4.8
147.08089	0.4
147.11688	1.3
149.05978	0.7
149.09560	0.4
155.08571	1.5
157.10153	0.6
159.08096	2.2
159.11679	1.6
161.09644	0.6
163.07538	2.0
163.11169	1.8
169.06464	1.8
171.08078	1.4
171.11664	0.4
172.08829	1.0
173.09656	0.9
173.13246	13.1
174.13608	0.4
177.09160	1.5
183.11664	2.6
186.10440	1.0
187.07553	5.8
187.11176	8.8
189.09161	0.6
191.06987	0.9
195.08072	0.8
196.08839	5.7
201.12743	5.8
203.06989	0.7
205.12239	2.9
211.11160	10.4
212.11475	0.4
213.09099	6.0
214.09854	9.8
215.10345	0.5
218.05737	0.6
219.13718	2.0
229.12231	70.2
230.12573	1.9
232.08784	0.9
246.22202	0.6
247.13281	100.0
247.22502	4.1
248.13551	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	1-epimenverin B
Peak:m/z	Relative Intensity
50.64944	0.7
50.84822	0.6
65.77438	0.5
67.05542	0.9
67.48176	0.5
69.03478	2.4
69.07089	1.0
69.14340	0.5
69.14635	4.9
69.15371	0.5
79.05497	1.4
81.07107	1.6
91.05463	2.7
93.07087	1.6
95.05081	0.6
95.08654	1.9
98.22494	1.2
105.07024	3.8
107.08586	4.1
109.06582	1.1
115.05487	1.2
117.07062	1.3
119.08634	2.3
121.06555	1.6
121.10171	2.1
123.08081	0.9
128.06218	5.6
129.06998	3.0
131.08606	2.0
133.06531	2.0
133.10197	1.6
135.08034	1.1
141.06982	4.7
142.07834	1.7
143.08546	5.6
145.06461	0.8
145.10117	5.7
147.11737	0.7
149.09613	0.8
152.06252	0.8
153.06982	3.1
154.07764	8.8
155.08556	6.8
157.10167	1.6
159.08054	8.6
159.11671	2.8
161.06021	1.6
161.09636	0.7
167.08575	2.6
168.09360	12.0
169.10127	93.0
170.10609	2.5
171.08051	52.0
172.08577	1.1
173.09637	1.6
173.13266	1.4
177.09183	0.7
178.07727	2.2
179.07014	5.4
179.08397	0.8
181.06436	5.8
181.10098	1.2
183.11691	32.9
184.12097	1.0
184.37128	0.5
185.09720	0.7
185.13281	0.8
187.07530	0.8
187.11166	16.1
187.14793	1.0
189.09091	4.2
193.08493	1.1
193.10123	10.4
195.08049	1.9
196.08835	10.1
201.09302	0.6
201.12714	1.2
201.16379	1.0
202.77563	0.6
203.08557	2.2
204.09317	1.7
205.10043	1.4
211.11180	100.0
212.11516	3.1
212.13324	0.7
217.10132	3.9
218.11020	0.6
229.12225	30.0
229.15811	1.4
231.11530	0.9
232.08678	1.7
232.12434	4.0
246.24266	1.0
247.11267	5.2
247.13196	82.5
247.24533	1.8
248.13554	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	antrocamphin A
Peak:m/z	Relative Intensity
57.71046	0.6
58.23954	0.5
65.71261	0.4
66.62469	0.4
69.00835	3.9
69.07076	0.5
79.05525	0.5
79.95570	0.4
81.07073	0.4
85.83358	0.4
91.05500	0.8
95.08629	0.9
98.22569	0.8
105.07053	1.2
107.08646	0.6
119.08630	0.5
128.06247	0.8
129.06989	1.0
130.07782	0.6
131.08604	1.0
133.10127	0.6
143.08571	1.9
144.09346	0.5
145.10104	3.8
155.08545	0.9
157.06511	1.0
157.10117	1.0
158.07240	3.4
159.08023	1.0
161.09636	0.7
169.06558	0.6
171.08069	3.7
172.08823	2.4
173.09619	32.9
174.06793	1.6
174.09901	0.7
185.05959	2.3
185.09616	0.7
186.10419	1.5
187.07600	1.5
187.11185	5.0
189.09093	8.0
200.08353	1.4
201.09103	35.9
202.09871	3.9
203.07036	0.9
214.82155	0.4
215.10632	0.8
216.11450	100.0
217.08607	14.7
217.11996	6.7
232.10934	25.1
232.13283	0.6
233.11224	0.9
247.13278	51.4
248.13660	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03941	5.0
55.01857	1.7
55.05514	6.8
56.41125	0.8
57.07058	2.0
64.04837	0.9
65.03941	5.5
67.05499	5.9
67.53567	0.9
68.99802	1.1
69.03430	20.4
69.07056	2.8
71.04971	1.1
71.29651	0.8
71.30049	1.1
74.34563	0.8
77.03922	1.1
79.05495	13.3
81.03410	1.2
81.07047	12.0
83.04980	20.7
85.02862	1.3
88.78180	0.8
91.05475	20.5
93.03403	5.6
93.07040	18.1
93.14548	0.9
95.04966	7.0
95.08629	5.2
97.02876	7.1
97.06503	2.5
98.33784	0.9
103.05475	1.2
105.04465	1.5
105.07028	21.2
107.04967	4.5
107.08595	14.2
109.02877	12.6
109.06512	11.9
109.10142	4.0
111.04436	6.3
111.08060	2.3
115.05446	5.1
116.06210	1.5
117.07002	14.0
119.08581	20.6
121.02888	5.2
121.06503	17.3
121.10144	7.6
122.07272	0.9
123.08089	4.2
125.05978	2.0
125.09668	1.1
128.06221	5.9
129.06235	1.0
129.07004	10.0
130.07761	2.1
131.04945	1.4
131.08568	25.3
132.05687	3.6
133.06479	2.7
133.10135	12.6
135.08044	29.9
135.11627	1.9
137.05963	4.0
137.09596	3.4
139.03911	2.1
141.06970	3.4
142.07741	4.4
143.08562	15.8
144.05710	1.5
144.09346	10.9
145.06487	15.9
145.10129	16.8
146.07277	1.4
147.08031	6.7
147.11600	1.4
149.05963	2.6
149.09619	19.7
150.10353	3.1
151.07521	2.1
151.11177	3.5
153.06949	3.5
153.09100	2.1
154.07759	1.9
155.08583	7.0
156.09387	1.5
157.06500	1.5
157.10114	5.2
158.07259	3.9
158.10928	10.8
159.08063	15.7
159.11699	30.6
160.08803	5.5
161.09630	6.1
163.06259	1.3
163.07550	22.1
163.11168	4.3
165.09178	1.4
167.08466	1.0
168.09354	6.5
169.10162	4.2
170.10951	5.1
171.08057	9.1
171.11734	1.8
172.08832	20.5
173.05983	3.9
173.09613	30.9
173.13257	36.8
174.13548	1.1
175.07497	1.8
175.11194	1.6
177.12778	1.4
178.07829	1.1
181.06433	2.0
183.11679	13.7
185.09627	3.9
185.13248	3.3
186.10405	23.3
187.07713	4.2
187.11179	100.0
187.14742	2.8
188.11548	3.2
189.09093	3.4
191.07030	42.1
193.10149	2.4
196.08780	6.8
199.07552	1.6
199.11118	1.5
201.12735	57.0
202.13130	2.3
203.14363	1.4
205.12239	7.9
211.11150	11.8
214.09839	3.5
219.07991	1.4
219.13770	6.6
229.12234	60.0
230.12497	1.6
247.05959	2.6
247.13283	88.9
247.16849	4.6
248.13641	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	CHEBI:67421
Peak:m/z	Relative Intensity
53.03956	2.3
55.05514	81.1
60.01107	1.2
60.37041	1.0
61.13555	0.9
61.61992	1.1
69.34972	3.2
69.35392	4.6
69.46954	1.0
83.04984	100.0
91.05468	6.4
93.07027	1.4
101.06006	1.3
117.07027	1.8
119.08581	16.9
119.09352	1.8
129.07050	1.9
132.05722	4.1
139.33549	1.1
147.08058	43.6
147.09195	2.5
163.05450	3.1
168.84511	1.2
182.62054	1.2
189.07028	5.2
190.07791	2.6
191.04974	1.1
191.08569	4.3
205.06607	1.3
218.07281	1.7
219.08093	7.5
247.04031	2.8
247.07530	29.0
247.11252	1.7
247.13261	2.1
248.08200	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60559	1.0
53.03931	1.0
55.05508	4.9
67.05492	5.7
69.07063	12.3
69.29146	2.7
69.29554	3.7
71.05000	2.4
75.04470	0.8
79.05486	5.6
81.07058	10.8
83.04941	1.6
83.08612	1.3
85.06549	1.4
91.05478	12.2
93.07048	12.8
95.04934	1.2
95.08607	14.4
95.15261	0.9
97.06504	1.1
98.22636	1.7
98.23290	2.1
98.98456	3.4
105.07031	22.9
107.08585	15.7
109.06535	1.6
109.10137	4.9
115.05414	1.6
115.57125	0.9
117.07008	9.4
119.07788	1.5
119.08589	22.3
121.06485	2.8
121.10148	6.4
123.08090	1.5
128.06241	1.6
129.06992	4.3
130.07788	2.6
131.08575	37.3
133.10124	19.7
135.08052	2.6
135.11688	1.8
141.06996	1.1
141.09183	1.1
142.07849	1.0
143.08533	13.5
144.09338	2.7
145.02499	0.9
145.06534	1.8
145.10124	51.6
146.10626	2.0
147.08064	2.1
147.11691	9.4
148.12500	1.6
149.09659	1.1
149.13271	3.3
153.09161	1.9
154.28687	0.9
155.08525	1.5
157.10147	3.7
158.10896	3.6
159.08095	2.6
159.11699	24.1
160.12245	1.0
161.09628	2.6
161.13225	1.6
169.10123	11.3
171.11700	2.7
172.12430	1.9
173.09648	7.6
173.13286	10.1
174.14076	5.5
177.09102	7.0
179.10619	1.3
183.11662	2.3
185.13281	7.4
187.11191	21.6
187.14825	45.9
188.15234	1.3
191.08890	1.4
191.10686	7.2
196.12413	1.7
201.12749	2.5
201.16440	6.8
202.07716	2.2
203.08549	3.1
204.09291	2.1
204.11484	1.2
205.10149	2.9
205.12282	4.6
211.14832	8.9
217.10107	9.3
218.10893	2.6
219.11815	2.4
229.15829	10.0
231.11688	1.7
232.12404	10.1
233.13057	2.3
247.11591	4.9
247.14740	25.8
247.16953	100.0
248.15198	2.1
248.17468	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1692
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
51.60559	1.0
53.03931	1.0
55.05508	4.9
67.05492	5.7
69.07063	12.3
69.29146	2.7
69.29554	3.7
71.05000	2.4
75.04470	0.8
79.05486	5.6
81.07058	10.8
83.04941	1.6
83.08612	1.3
85.06549	1.4
91.05478	12.2
93.07048	12.8
95.04934	1.2
95.08607	14.4
95.15261	0.9
97.06504	1.1
98.22636	1.7
98.23290	2.1
98.98456	3.4
105.07031	22.9
107.08585	15.7
109.06535	1.6
109.10137	4.9
115.05414	1.6
115.57125	0.9
117.07008	9.4
119.07788	1.5
119.08589	22.3
121.06485	2.8
121.10148	6.4
123.08090	1.5
128.06241	1.6
129.06992	4.3
130.07788	2.6
131.08575	37.3
133.10124	19.7
135.08052	2.6
135.11688	1.8
141.06996	1.1
141.09183	1.1
142.07849	1.0
143.08533	13.5
144.09338	2.7
145.02499	0.9
145.06534	1.8
145.10124	51.6
146.10626	2.0
147.08064	2.1
147.11691	9.4
148.12500	1.6
149.09659	1.1
149.13271	3.3
153.09161	1.9
154.28687	0.9
155.08525	1.5
157.10147	3.7
158.10896	3.6
159.08095	2.6
159.11699	24.1
160.12245	1.0
161.09628	2.6
161.13225	1.6
169.10123	11.3
171.11700	2.7
172.12430	1.9
173.09648	7.6
173.13286	10.1
174.14076	5.5
177.09102	7.0
179.10619	1.3
183.11662	2.3
185.13281	7.4
187.11191	21.6
187.14825	45.9
188.15234	1.3
191.08890	1.4
191.10686	7.2
196.12413	1.7
201.12749	2.5
201.16440	6.8
202.07716	2.2
203.08549	3.1
204.09291	2.1
204.11484	1.2
205.10149	2.9
205.12282	4.6
211.14832	8.9
217.10107	9.3
218.10893	2.6
219.11815	2.4
229.15829	10.0
231.11688	1.7
232.12404	10.1
233.13057	2.3
247.11591	4.9
247.14740	25.8
247.16953	100.0
248.15198	2.1
248.17468	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1693
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
51.24170	0.7
53.03955	1.4
55.05513	5.7
57.07070	1.8
65.03940	2.3
67.05505	9.7
69.03437	1.7
69.07072	6.9
71.04990	2.4
72.44776	0.7
77.38390	0.7
79.05489	10.6
81.07066	10.2
83.05006	1.1
83.08609	2.3
87.28151	0.8
91.05481	22.0
91.16510	0.8
93.07043	16.1
95.04978	1.9
95.08607	26.0
96.08954	0.7
97.06552	1.4
98.23344	2.3
98.98450	0.9
99.04435	4.7
99.31456	0.7
103.05482	0.9
103.24525	0.7
105.07028	25.3
106.07806	1.2
107.08593	100.0
108.08952	1.8
109.06510	8.1
109.10155	9.4
111.08077	3.1
112.94278	0.7
115.05473	1.0
116.06270	0.9
117.06997	4.5
119.06067	3.4
119.08578	13.1
120.09389	1.3
121.06501	5.6
121.10141	28.7
121.11017	1.4
122.10455	0.9
123.08081	8.0
123.11686	1.0
125.05975	1.0
125.09606	1.1
128.06261	0.9
129.06982	2.3
130.07735	1.1
131.08565	9.3
132.17891	0.9
133.10133	14.3
133.11067	1.4
135.08046	6.4
135.11711	5.1
137.05951	1.7
137.09642	1.0
139.07538	2.2
141.06952	1.1
141.09132	3.0
143.08577	2.7
144.09338	4.2
145.06480	1.6
145.10115	14.8
147.08090	1.7
147.11682	14.4
148.12469	8.5
149.06038	0.9
149.09673	1.6
149.13258	9.4
154.07756	1.5
155.08617	2.1
155.11716	0.7
156.09254	1.1
157.10126	3.1
158.07254	3.6
158.10889	1.7
159.08044	5.3
159.11699	26.6
161.09644	2.5
161.13277	2.7
163.11200	1.9
167.08560	0.8
169.10136	5.6
171.07979	1.0
171.11711	3.4
172.08827	12.8
173.09624	20.1
173.13263	13.7
174.10468	1.0
175.11208	0.9
177.09103	2.3
183.11792	1.4
186.10435	4.5
187.11183	32.8
187.14810	2.7
188.11511	0.9
191.08463	0.7
191.10687	4.5
196.12444	2.3
200.11909	1.0
201.12746	6.3
201.16394	11.4
205.12253	1.1
211.14793	5.0
217.10101	2.1
229.15865	24.7
230.16196	0.8
232.12416	1.5
246.54741	0.8
247.14743	3.4
247.16946	23.0
247.20663	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12107	13.6
55.01922	13.4
69.03436	19.4
70.58923	32.4
70.59277	14.3
71.75772	12.9
81.12504	13.8
85.02905	40.0
86.21758	15.4
94.93018	13.5
97.02895	14.0
101.00885	76.1
103.00664	20.3
104.10781	23.2
113.00863	14.9
115.02462	18.1
119.01916	100.0
121.01646	16.7
129.00412	13.3
131.01926	37.9
133.03508	20.0
143.01959	34.6
145.03464	21.0
146.08109	28.9
147.01430	31.1
155.01875	24.0
157.03444	20.0
161.03003	54.1
163.02745	17.5
169.05356	33.5
171.05009	23.2
172.51993	13.6
173.03017	40.4
185.03001	18.9
221.05077	14.6
249.03825	98.7
249.08298	35.6
249.14394	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1121
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
51.03975	0.3
55.01863	0.5
55.05478	0.4
57.03418	0.5
65.03970	0.3
67.05493	1.5
69.03431	1.7
69.07076	0.5
79.05489	1.0
81.07047	1.3
91.05478	8.7
93.07049	1.6
95.04958	0.9
95.08614	0.5
97.02874	0.9
97.06511	0.8
98.11283	0.3
103.05460	1.4
104.06277	0.4
105.07024	5.0
106.51604	0.3
107.04955	2.1
107.08571	0.7
109.06516	0.6
111.04452	0.4
115.05443	5.8
116.06236	4.9
117.07006	3.6
119.04952	0.8
119.08575	1.6
121.06503	1.2
121.10122	0.4
123.04452	0.4
127.05446	0.6
128.06218	10.2
129.06999	22.8
130.07867	0.6
131.04922	2.4
131.08562	19.7
132.05664	1.6
133.06491	3.3
133.10136	2.4
135.08060	0.7
137.06000	0.6
139.05420	0.7
141.06979	10.3
142.07790	5.1
143.04883	1.0
143.05937	0.4
143.08577	4.1
144.05693	9.9
145.06482	6.9
145.10135	1.3
146.03598	0.5
146.07280	4.1
147.04388	1.3
147.08046	1.7
147.11682	0.7
149.09659	0.6
151.54199	0.3
152.06140	1.1
153.06995	2.5
155.04906	0.5
155.06033	1.7
156.05714	2.2
157.06485	9.6
157.10109	0.6
158.07269	2.7
159.08043	28.5
160.05156	1.8
160.08646	0.8
161.05962	4.2
161.09608	8.4
161.13211	0.6
163.07501	0.4
167.07031	1.1
169.06270	1.7
169.07690	3.3
170.07256	8.8
171.04410	1.9
171.08043	6.7
172.05190	3.7
173.05981	4.7
173.09621	0.6
174.06754	3.2
175.07541	3.7
175.11139	0.4
175.14815	0.4
177.05516	0.3
178.06219	1.1
181.65298	0.4
184.05203	0.9
185.05939	1.1
185.13217	0.9
186.06717	0.9
187.07533	17.8
188.04727	0.5
188.08247	1.5
189.05458	4.1
189.09076	9.2
189.12701	0.7
190.06213	1.3
191.07022	1.4
191.10689	0.5
193.08586	1.2
198.06758	1.8
199.07539	2.5
200.08267	0.5
201.05475	1.8
203.07025	7.2
203.10765	0.6
203.14223	0.6
204.07797	14.1
205.08582	2.1
206.09402	1.7
213.12811	0.5
216.07819	4.2
217.08601	0.8
218.09422	1.6
219.06555	0.4
219.10123	2.3
221.08061	1.0
221.11699	3.9
231.10138	7.4
231.13428	1.8
234.08867	1.1
249.11205	100.0
250.11607	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.112
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.01573	0.4
55.01863	0.7
55.05517	0.8
57.03418	0.8
57.60823	0.5
67.05486	2.1
69.03426	0.8
69.07056	0.9
71.30843	0.5
73.01257	0.5
76.77848	0.5
76.85253	0.5
79.05499	2.5
81.03384	0.8
81.07045	2.0
83.04972	1.4
91.05477	9.1
93.07040	2.7
95.04967	1.7
95.08611	1.0
96.06198	0.4
97.02894	1.1
97.06530	1.4
103.05502	2.4
105.07027	6.8
107.04950	2.7
107.08590	2.2
109.06512	1.1
110.93484	0.4
111.04466	0.8
115.05430	4.8
116.06242	3.6
117.07015	4.4
119.08572	3.1
121.06497	1.9
121.10116	1.0
123.04457	0.8
123.07998	0.7
128.06215	10.2
129.07007	19.9
130.07729	1.4
131.04921	3.4
131.08563	17.2
132.05714	1.4
132.08888	0.6
133.06511	3.1
133.10115	3.2
135.08043	0.9
141.06985	9.2
142.07785	3.2
143.04926	1.1
143.08571	5.0
144.05693	9.2
145.06491	5.9
145.10132	3.1
146.07259	3.5
147.04396	1.3
147.08064	2.4
147.11676	0.8
149.06004	1.0
149.09637	0.8
151.03902	2.8
151.04967	0.7
152.06163	0.9
153.05551	0.5
153.06964	2.3
154.30371	0.5
155.06017	1.9
156.05708	1.8
157.06480	9.3
157.10007	1.1
158.07262	3.1
159.04416	0.8
159.08054	28.4
159.11621	0.8
160.05185	1.4
160.08493	0.9
161.06003	4.2
161.09621	8.4
161.13237	0.9
163.07506	1.3
167.07060	1.1
169.06419	1.5
169.07619	4.4
170.07243	8.9
171.04384	1.6
171.08047	6.1
171.11674	0.5
172.05186	4.1
173.05972	4.5
173.09663	0.9
173.13177	0.5
174.06805	3.0
175.07538	3.3
175.11049	0.9
175.14783	0.8
176.04695	1.2
177.05470	0.7
177.09023	0.5
178.06300	1.0
185.06006	1.0
185.09592	0.5
185.13231	1.6
186.06767	0.7
187.07533	18.1
188.08220	1.4
189.05453	3.6
189.09090	10.0
189.12694	1.4
190.06262	1.4
191.07054	5.2
191.10567	1.1
192.07588	0.5
193.08548	1.0
198.06757	1.5
199.07454	2.7
201.05461	1.6
203.07024	5.4
203.14307	3.6
204.05980	1.0
204.07819	13.0
205.08601	2.2
206.09331	1.6
207.10098	0.6
207.13794	0.7
213.12761	1.3
216.07787	4.1
217.08565	1.2
218.09352	1.7
219.06534	0.8
219.10199	2.2
219.13649	0.6
221.08034	1.1
221.09988	0.5
221.11758	3.2
231.10159	7.3
231.13731	4.1
234.08891	1.1
249.07596	4.7
249.11211	100.0
249.14767	6.3
250.11606	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1121
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03942	0.8
55.01861	1.5
55.05504	1.9
55.47255	0.4
57.03424	1.4
57.96366	0.4
59.04996	1.5
64.13319	0.5
65.03928	0.9
67.05505	3.7
69.03423	3.5
69.07063	2.0
71.04990	1.1
71.29927	0.7
75.65551	0.4
77.03944	0.4
79.05496	4.1
79.05934	0.7
81.03416	0.7
81.07056	3.8
83.04967	0.8
83.08636	0.6
85.02886	1.0
91.05480	13.4
93.07041	4.6
95.04964	1.8
95.08601	2.1
97.02894	8.9
97.06503	3.2
97.77253	0.5
99.04450	0.5
103.05479	2.2
105.03410	0.6
105.07031	16.5
107.04967	3.2
107.08594	3.6
107.61390	0.4
109.02886	1.4
109.06518	1.4
109.10139	1.3
111.04438	1.2
111.08057	1.0
113.98517	0.5
115.05444	7.9
116.06261	3.9
117.07017	9.6
118.07787	0.6
119.04954	1.4
119.08582	6.4
121.06489	2.4
121.10137	2.0
123.04414	0.9
123.08065	1.9
125.05963	0.7
127.03924	0.8
128.06229	12.5
129.07008	25.6
130.07748	1.9
131.04912	3.1
131.08565	23.3
132.05693	1.5
133.06482	7.5
133.10126	4.6
135.08055	2.2
135.11751	0.6
137.05963	2.4
137.09618	0.6
139.05394	0.7
141.06989	12.4
142.07802	5.7
143.04904	0.8
143.08571	9.5
144.05693	9.9
144.09282	0.6
145.06473	8.1
145.10133	7.8
146.07288	4.2
147.04384	1.8
147.08044	2.9
147.11693	2.1
149.05911	1.1
149.09549	0.8
151.07576	0.9
151.11150	0.7
152.06207	1.3
153.05603	0.7
153.06993	3.3
155.04897	0.7
155.06015	2.5
155.08571	1.3
156.05707	2.3
156.09334	0.8
157.05179	0.6
157.06487	12.3
157.07709	0.9
157.10115	3.0
157.11244	0.5
158.07277	3.0
159.08051	33.7
159.11687	1.3
160.05162	1.8
160.08640	0.7
161.05989	5.5
161.09616	10.7
161.13235	1.9
163.07533	1.5
163.11179	0.8
165.09123	0.6
167.04948	0.7
167.07133	1.0
167.08582	0.9
169.06439	1.7
169.07672	3.8
170.07269	9.4
170.10870	0.7
171.04396	1.5
171.08038	9.0
171.11674	1.6
172.05188	3.4
173.05977	4.4
173.09627	2.1
173.13293	1.7
174.06779	3.4
175.07567	5.2
175.11209	1.5
175.14850	1.7
177.05423	1.0
177.09088	0.9
178.06288	1.1
184.05142	1.3
185.05927	1.2
185.09583	1.2
185.13246	2.9
186.06747	1.1
187.07541	20.6
188.08255	2.4
188.11987	0.5
189.05498	4.2
189.09122	11.8
189.12694	2.7
190.06244	1.5
191.06982	1.9
191.10646	3.4
192.07773	0.8
193.08577	1.0
198.06804	1.8
199.07593	2.8
201.05458	1.7
201.12869	0.6
202.06166	0.5
203.07024	6.0
203.10635	0.8
203.14330	6.0
204.07817	16.7
205.08562	2.3
206.09401	1.4
207.06450	0.5
213.12674	1.6
216.07825	3.5
216.11299	0.6
217.08598	1.3
218.09357	1.8
219.10168	1.9
219.13744	1.6
221.07967	1.0
221.11684	2.9
221.15285	0.9
231.10194	9.1
231.13765	8.0
233.11743	1.9
234.09001	1.2
249.11211	100.0
249.14868	16.1
250.11502	2.9
250.15248	0.6
262.03842	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.05513	0.6
57.03424	0.9
62.10471	0.3
67.05484	1.1
67.67768	0.3
69.03414	1.2
69.07079	0.5
69.51740	0.3
71.04990	0.4
71.09060	0.4
72.73281	0.4
79.05492	1.2
81.03391	0.4
81.07034	1.1
85.02873	0.4
87.34697	0.3
91.05485	8.7
93.07044	1.5
95.04971	0.9
95.08593	0.9
97.02878	1.5
98.23370	0.8
103.05464	2.2
105.07032	5.0
107.04963	2.2
107.08591	1.2
109.10169	0.4
111.08020	0.6
112.44035	0.4
115.05435	6.3
116.06251	4.0
117.07050	3.8
119.04948	0.5
119.08564	2.2
121.06510	1.3
121.10137	0.4
123.04446	0.4
128.06230	8.9
128.07111	0.8
129.07008	20.9
130.07803	0.7
131.04915	2.4
131.08568	18.6
132.05722	1.1
133.06519	3.9
133.10129	2.2
135.08008	0.5
141.05920	0.7
141.06998	10.4
142.07791	4.7
143.04880	0.5
143.08568	4.9
144.05711	9.4
144.86928	0.4
145.06499	5.4
145.10100	1.7
146.07292	3.2
147.04399	1.5
147.08020	1.6
147.11647	0.5
149.09552	0.5
152.06178	1.0
153.07019	2.1
155.06078	2.3
156.05667	1.9
157.06483	9.4
157.10132	1.1
158.07285	2.6
159.04427	0.8
159.08055	27.6
159.11649	1.0
160.05168	1.6
160.08466	0.7
161.05992	3.9
161.09630	7.3
161.13301	0.7
163.07545	0.4
167.04927	0.4
167.07005	1.1
169.06442	1.2
169.07663	2.9
170.07257	8.0
171.04445	2.1
171.08041	6.9
172.05193	3.9
173.05991	5.0
173.09625	0.7
174.06744	2.5
175.07516	4.1
175.11154	0.7
177.09126	0.5
178.06252	1.1
184.05183	0.5
185.05937	0.8
185.13254	1.6
186.06741	0.7
187.07542	18.3
188.08218	1.6
189.05492	3.5
189.09105	9.1
189.12744	1.0
190.06229	1.3
191.07036	1.6
191.10718	0.5
192.07820	0.5
193.08583	1.1
198.06763	1.8
199.07536	2.1
200.08253	0.6
201.05453	2.2
203.07042	6.2
203.14319	1.4
204.07814	13.6
205.08574	2.5
206.09404	1.2
213.12749	0.7
216.07831	3.7
217.08556	1.1
218.09373	1.2
219.10072	2.0
221.08174	0.6
221.11729	3.0
228.86394	0.4
231.10185	6.2
231.13643	2.4
234.08783	0.9
249.11217	100.0
249.14868	5.8
250.11537	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03933	1.1
55.01855	0.8
55.05497	1.1
57.03428	0.8
57.53749	0.5
59.01918	0.5
60.87960	0.5
67.05493	2.1
69.03414	2.5
69.07043	0.9
71.04993	0.7
71.30186	0.9
79.05488	3.8
81.03418	1.6
81.07056	3.0
83.04966	1.2
83.08647	0.6
85.02897	0.9
91.05486	10.9
93.07040	5.3
95.04966	2.3
95.08593	2.1
95.44065	0.7
97.02885	1.0
97.06504	1.4
97.10145	1.0
99.34052	0.5
103.05441	1.3
105.03387	1.8
105.07034	7.5
107.04946	3.3
107.08588	9.9
109.06516	2.1
109.10149	1.6
111.08070	1.6
115.05437	5.6
116.06265	4.5
117.07032	3.8
119.04964	1.0
119.08582	4.8
121.06496	2.2
121.10123	0.9
123.08091	0.9
125.06095	0.6
125.09612	1.0
127.05449	0.6
128.06226	11.1
129.07007	22.7
130.07805	1.1
131.04913	2.4
131.08566	18.7
132.05707	1.2
133.06514	3.8
133.10083	4.1
135.08051	2.4
137.05980	1.0
139.05321	0.6
139.07549	0.7
141.06984	9.6
142.07773	5.1
143.04883	0.7
143.08533	5.8
144.05695	8.9
145.06497	7.2
145.10121	2.6
146.07285	3.4
147.04411	2.5
147.08022	1.8
147.11725	2.7
149.09631	1.4
151.11185	3.4
152.06184	1.7
153.06975	2.1
153.09099	1.1
155.06076	1.2
156.05699	2.5
157.05330	1.0
157.06497	11.4
157.10114	1.7
158.07256	2.5
159.04468	0.9
159.08051	28.5
159.11732	1.1
160.05177	1.4
160.08565	0.6
161.05972	3.9
161.09610	10.0
161.13225	1.8
163.07556	2.0
165.05455	0.9
167.07030	1.7
169.06512	1.1
169.07639	3.7
170.07265	8.4
171.04391	1.9
171.08047	8.5
171.11700	1.1
172.05164	3.9
173.06003	4.4
173.09622	0.8
174.06787	3.2
175.07526	4.0
175.11253	0.6
175.14827	1.3
178.06282	0.7
178.07747	1.0
181.06377	0.9
184.05197	1.0
185.05946	1.0
185.13264	2.3
186.06694	0.8
187.07550	17.6
188.08258	2.2
189.05447	3.4
189.09105	9.0
189.12762	1.5
190.06230	1.6
191.07022	1.2
191.10689	0.9
193.08571	0.8
198.06750	1.8
199.07457	4.2
201.05473	2.2
203.06990	6.2
203.08618	1.0
203.10413	0.7
203.14326	3.1
204.07819	14.9
205.08540	2.2
206.09520	1.1
213.12856	0.9
216.07756	4.4
217.08601	1.2
218.09351	1.7
219.10136	1.9
221.07916	0.8
221.09785	1.3
221.11757	2.4
231.10197	8.4
231.13786	4.1
234.06775	0.8
249.09268	4.6
249.11226	100.0
249.14819	10.3
250.11571	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1121
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
52.57161	0.3
53.03949	0.7
55.01876	0.6
55.05505	0.5
57.03416	0.5
67.05495	1.0
69.03415	1.3
69.07058	0.7
69.56598	0.6
69.56887	2.4
71.04993	0.5
79.05475	1.8
81.03398	0.8
81.07035	1.3
83.04979	0.8
91.05475	9.0
93.07039	1.4
95.04970	0.6
95.08591	1.2
103.05473	2.1
105.03386	0.5
105.07024	5.8
107.04962	2.7
107.08582	1.2
109.06541	0.7
109.10102	0.8
111.04503	0.5
115.05446	6.8
116.06236	4.6
117.07018	3.6
119.04940	0.8
119.08601	2.9
121.06499	1.5
121.10101	0.5
128.06213	10.0
129.06999	22.0
130.07796	1.1
131.04912	2.4
131.08557	18.6
132.05705	1.4
133.06497	3.5
133.10098	2.6
135.08025	1.1
137.05925	0.7
139.05421	0.6
141.06982	11.4
142.07780	4.8
143.04918	0.8
143.06015	0.6
143.08548	5.0
144.05695	10.6
145.06496	6.1
145.10106	1.7
146.07231	3.7
147.04391	1.7
147.08047	1.7
147.11737	0.9
152.06209	0.9
153.06969	2.3
155.04904	0.6
155.06017	2.1
156.05716	2.7
157.06479	10.3
157.07706	0.7
157.10115	1.2
158.07246	2.2
159.04465	0.7
159.08046	28.9
160.05202	1.4
160.08403	0.6
161.05989	3.9
161.09612	8.8
161.13298	0.9
163.07593	0.6
167.07016	0.8
169.06425	1.4
169.07613	3.8
170.07265	8.7
171.04381	1.6
171.08034	7.2
171.11734	0.6
172.05228	3.2
173.05965	4.5
174.06764	2.8
175.07520	3.5
175.11157	0.5
175.14868	0.9
177.05428	0.6
178.06274	1.0
184.05165	0.8
185.05951	1.5
185.09615	0.5
185.13272	1.4
186.06705	0.6
187.07532	19.0
188.08232	1.5
189.05466	4.0
189.09097	10.1
189.10854	0.5
189.12712	0.9
190.06213	1.7
191.07039	1.6
191.10635	0.8
192.07803	0.5
193.08459	0.6
198.06775	1.8
199.07503	2.8
201.05511	1.7
203.07005	6.1
203.10693	0.5
203.14287	2.6
204.07805	12.6
204.76279	0.4
205.08559	2.4
206.09364	1.1
213.12750	0.9
215.46449	0.5
216.07828	3.2
217.08606	1.0
218.09320	1.6
219.10086	1.9
221.05992	0.4
221.08144	1.1
221.11697	3.4
231.10155	6.6
231.13676	2.7
233.97606	0.4
234.08884	0.7
249.11209	100.0
249.14801	4.3
250.11595	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01869	0.4
57.03422	0.5
66.81351	0.3
67.05495	1.2
69.03421	0.9
69.66349	1.0
79.05468	0.9
81.07057	0.5
81.22933	0.3
91.05477	8.9
93.07059	1.0
95.04984	0.5
95.08621	0.4
97.02882	0.8
103.05450	1.6
105.07033	4.5
107.04967	1.9
107.08569	0.7
114.33686	0.3
115.05444	6.4
116.06234	4.1
117.07014	3.4
119.04939	0.4
119.08581	1.3
121.06475	1.0
121.10217	0.4
125.76101	0.3
127.05486	0.3
128.06218	12.1
129.07002	21.8
129.15828	0.3
130.07724	1.0
131.04922	2.4
131.08563	19.5
132.05701	1.4
133.06502	3.1
133.10141	1.8
135.08017	0.6
139.05420	0.6
141.06985	11.8
142.07803	5.2
143.04936	1.0
143.08549	3.9
144.05698	10.3
145.06479	6.8
145.10143	0.9
146.03659	0.6
146.07271	3.2
147.04439	1.6
147.08006	1.3
147.11736	0.5
152.06197	1.3
153.06999	2.6
155.04950	0.7
155.06036	2.3
156.05687	2.6
157.06485	10.7
157.10081	0.6
158.07253	2.0
159.04439	0.8
159.08047	28.7
160.05165	1.5
160.08464	0.8
161.05981	4.7
161.09621	7.8
165.05423	0.4
167.04861	0.5
167.07033	1.3
169.06447	1.7
169.07631	3.7
170.07268	9.0
171.04408	2.2
171.08028	7.5
171.09386	0.3
172.05176	3.9
173.05968	5.4
174.06775	3.6
175.03841	0.4
175.07562	3.0
175.11148	0.8
177.05524	0.7
178.06233	1.1
181.06381	0.8
184.05229	0.9
185.05954	1.1
185.13321	0.7
186.06763	0.9
187.07539	20.0
188.04666	0.3
188.08154	1.2
189.05490	3.1
189.09096	8.9
189.12830	0.4
190.06229	1.6
191.07019	1.5
193.08691	0.7
198.06740	2.2
199.07545	2.9
200.08258	0.7
201.05423	1.6
203.07011	5.8
203.10651	0.5
203.14320	0.7
204.07809	14.0
205.08601	2.2
206.09390	1.0
207.09898	0.4
216.07837	4.5
217.08582	0.9
218.09390	1.0
219.10179	2.2
221.08096	1.0
221.11717	3.2
221.15233	0.4
231.07877	0.7
231.10141	7.3
231.13730	1.6
234.06686	0.5
234.08838	1.1
249.11212	100.0
250.11499	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1121
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03934	0.4
53.76973	0.3
55.01866	0.4
60.93179	0.4
62.54555	0.3
65.03917	0.4
67.05497	1.2
69.03416	1.0
69.07056	0.5
70.01791	0.9
79.05482	1.1
81.07053	0.7
90.87662	0.3
91.05473	9.2
93.07062	0.7
94.91529	0.3
95.04959	0.6
95.08624	0.4
97.02886	0.6
97.06567	0.4
103.05467	1.4
105.07026	4.2
107.04963	2.2
107.08594	0.8
109.56904	0.3
115.05444	6.2
116.06255	3.6
117.07030	3.9
118.07759	0.6
119.04939	0.6
119.08588	1.1
121.06503	1.2
123.04400	0.4
127.05373	0.4
128.06221	10.1
129.07005	22.3
130.07742	0.8
131.04921	2.5
131.08562	17.8
132.05679	1.0
133.06506	3.2
133.10109	1.9
135.08037	0.7
137.05930	0.5
141.06985	10.5
142.07788	3.5
143.04933	0.6
143.08565	3.7
144.05690	10.1
145.06485	6.2
145.10123	1.5
146.07260	3.6
147.04376	1.6
147.08070	1.2
152.06210	1.4
153.06981	2.5
155.04892	0.5
155.06015	2.0
156.05658	1.9
157.06485	11.0
157.10095	0.6
158.07263	2.3
159.04446	0.7
159.08052	27.3
160.05167	1.4
160.08694	0.7
161.05983	4.3
161.08246	0.5
161.09605	7.9
161.10887	0.7
167.07021	1.0
169.06451	1.6
169.07713	2.9
170.07278	8.6
171.04405	1.3
171.08025	6.9
172.05168	3.3
173.05983	4.4
173.09579	0.8
174.06786	2.5
175.07544	2.9
175.11252	0.5
175.14842	0.5
176.04715	0.4
177.05450	0.6
177.09113	0.4
178.06209	1.0
184.05196	0.9
185.05965	0.8
185.13240	0.7
186.06795	0.9
187.07532	17.5
188.08249	1.8
189.05498	3.9
189.09084	10.2
189.12744	0.4
190.06223	1.2
191.07018	1.2
191.10658	0.7
192.07767	0.6
193.08588	0.7
198.06650	1.8
199.07523	3.0
200.08482	0.4
201.05539	2.1
202.06059	0.4
203.07048	6.1
203.14288	1.1
204.07806	13.8
205.08614	1.9
206.09354	1.0
213.12825	0.7
216.07774	3.7
217.08669	1.1
218.09386	1.3
219.10226	1.8
221.08011	0.7
221.11670	3.4
231.10146	6.6
231.13681	2.3
234.08794	0.9
249.11209	100.0
250.11519	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1486
Annotation	Quadrone
Peak:m/z	Relative Intensity
53.03939	4.8
55.01871	2.4
55.05521	10.8
55.13523	1.8
55.67608	1.8
57.07051	1.8
65.03929	2.4
67.05502	25.2
69.03407	2.0
69.07067	12.5
71.04993	2.0
76.21590	1.8
77.03922	2.0
79.05490	23.4
81.07053	37.3
83.04969	6.9
83.08600	4.9
83.97169	1.8
85.06545	2.3
91.05476	53.2
93.06483	1.9
93.07043	38.3
95.04970	11.2
95.05474	1.9
95.08614	24.0
97.06525	3.5
99.04430	2.6
103.05447	5.2
105.07025	66.3
105.19882	1.9
106.82127	1.6
107.04939	7.4
107.08587	22.8
109.06512	5.8
109.10146	13.8
111.04432	4.7
111.08069	2.1
115.05436	7.2
116.06238	2.8
117.07015	37.8
119.04990	2.3
119.08580	29.8
121.06476	5.3
121.10148	17.3
123.04403	2.4
123.08063	4.4
125.05975	5.3
125.09625	2.8
128.06213	17.7
129.06134	2.7
129.07002	29.3
130.07797	10.3
131.04924	2.7
131.08563	47.9
133.06497	3.8
133.10133	24.3
135.04405	16.6
135.08049	3.9
135.11690	5.2
137.06000	4.7
141.06973	4.7
142.07800	13.9
143.08557	50.4
144.09306	2.8
145.06445	3.7
145.10115	100.0
146.07259	3.2
146.10504	3.0
147.08046	5.8
147.11682	11.6
149.06004	11.3
149.09605	2.8
149.13214	2.1
151.07507	2.9
151.11180	2.3
154.03076	2.0
155.06023	1.7
155.08562	6.3
156.09328	6.4
157.06464	3.0
157.10124	30.3
158.07301	2.1
158.10947	2.5
159.08047	5.5
159.11652	11.5
161.05894	4.6
161.09631	18.2
161.13210	4.9
163.07521	5.0
163.11169	4.5
170.10869	6.6
171.08057	9.4
171.11679	6.4
173.09662	11.2
173.13251	25.5
174.06744	4.9
175.07520	11.0
175.11215	4.0
175.14804	9.8
177.09106	6.9
180.09290	3.3
185.09619	2.7
185.13239	29.9
187.07362	2.3
189.09087	29.8
189.12753	4.0
189.16331	3.3
191.10681	25.7
201.12727	5.2
202.07761	1.8
203.10707	4.6
203.14310	19.0
213.12697	8.3
217.08434	2.9
217.12112	2.3
219.13818	20.5
221.11688	25.4
231.11565	3.4
231.13794	64.3
231.17346	3.0
232.13986	2.2
234.10341	2.2
249.10933	16.8
249.14847	99.5
249.18582	6.8
250.15144	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1487
Annotation	Lyratol D
Peak:m/z	Relative Intensity
53.03934	1.1
55.01868	2.5
55.05505	3.1
57.03445	0.8
59.12046	0.7
61.02902	0.8
65.03947	2.4
67.05509	10.9
69.03447	4.1
69.07068	2.8
70.28419	2.3
71.04998	2.0
74.55296	1.1
79.05495	16.4
81.07058	13.3
82.07461	0.8
83.05004	1.2
83.69572	0.7
85.06541	1.2
89.81496	0.7
91.05482	20.4
91.06011	1.5
93.07038	9.0
95.04955	4.0
95.08618	4.4
97.06534	12.3
97.10165	0.8
98.12202	0.8
98.22760	1.0
99.04482	1.0
105.07037	15.6
107.04949	1.3
107.08598	100.0
108.08918	1.9
109.06532	6.9
109.10162	6.1
111.04435	1.6
111.08098	2.6
115.05462	3.6
116.06220	1.9
117.07045	5.8
119.06070	2.3
119.08575	10.6
121.06521	3.2
121.10152	3.1
122.07255	0.8
123.08080	2.2
125.05989	2.1
125.09649	7.2
128.06238	3.9
129.07010	6.4
130.07753	0.8
131.04980	0.9
131.08560	7.4
133.06487	2.0
133.10155	4.3
135.07082	1.4
135.08063	26.0
135.11667	1.0
137.05937	1.1
137.09630	2.7
141.06987	2.4
142.07788	2.6
143.08626	4.2
144.05719	2.9
145.06441	1.4
145.10129	2.8
146.07292	1.7
147.04478	1.2
147.08043	5.5
147.11687	3.1
149.09637	3.5
151.11139	1.1
153.07133	0.9
153.09125	12.7
157.06439	1.9
157.10118	2.4
158.07204	0.9
159.08069	6.3
159.11728	2.0
161.06003	1.5
161.09659	5.6
161.13268	3.5
163.07564	19.3
163.11191	1.9
165.05542	1.0
170.07304	1.6
171.08080	2.6
171.11685	1.6
173.06029	1.0
173.09602	1.3
175.07547	3.3
175.11134	1.5
175.14761	1.6
177.09142	0.8
181.08653	0.9
185.13281	2.4
187.07547	4.4
189.09056	3.7
189.12755	3.4
191.10571	1.8
203.07039	2.4
203.10658	0.8
203.14281	6.8
204.07870	3.6
207.13812	1.1
213.12788	1.6
214.71205	0.9
221.15460	0.8
231.10181	1.8
231.13817	5.4
231.17307	1.0
249.09106	1.2
249.11226	21.1
249.14890	14.0
249.18600	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.185
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
55.05516	31.3
55.14503	5.3
57.07086	7.3
66.05088	4.3
67.05501	24.6
69.07071	37.3
71.31817	8.2
71.94865	5.0
76.93069	4.6
79.05483	19.2
81.07070	38.3
83.08614	17.6
85.06559	9.1
91.05492	19.8
93.07056	38.6
95.08604	78.9
97.06492	6.2
97.10145	7.4
99.04478	5.5
105.07014	42.6
107.08588	59.3
109.06557	6.1
109.10137	37.1
114.36230	4.9
119.08599	60.2
121.10146	65.3
123.08069	12.0
123.11726	6.8
131.08589	5.9
133.10135	60.5
135.11722	36.1
137.13269	17.0
141.09097	5.5
142.22292	4.7
143.93156	4.9
145.10112	11.5
147.08069	12.4
147.11696	34.8
149.09613	6.6
149.13231	17.6
161.09619	10.6
161.13303	10.6
163.07590	9.0
175.11200	15.5
175.14830	31.0
176.08240	7.3
179.10684	20.3
189.09073	8.5
189.12698	6.6
189.16342	28.7
193.12270	20.2
202.10031	6.4
203.10652	34.7
203.14453	12.4
203.17953	9.7
218.13120	29.8
219.10260	6.4
220.11009	7.9
231.17445	17.3
249.12297	5.2
249.14883	100.0
249.18538	86.9
250.15297	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1849
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03945	2.7
53.83720	1.7
53.94799	2.4
55.05512	26.7
57.07065	6.5
57.10098	1.7
66.24747	2.0
67.05504	23.3
67.35951	2.1
69.07070	31.4
71.04971	3.5
79.05499	19.6
81.07061	37.9
83.08621	18.8
85.06532	7.1
90.62784	2.0
91.05480	25.5
91.99754	2.3
93.07048	57.2
94.07408	2.1
95.04976	5.1
95.08607	78.1
97.06514	5.8
97.10172	6.7
98.23151	15.7
99.04439	2.6
101.06010	2.0
105.07031	55.5
107.08595	66.9
109.06496	5.9
109.10158	35.9
111.08105	2.1
111.23547	1.8
117.07031	4.2
119.08577	73.3
120.08908	2.5
121.06525	5.5
121.10146	49.5
123.08088	7.4
123.11707	8.0
125.09645	2.2
131.08568	8.5
133.06499	4.5
133.10121	77.3
134.10530	2.0
135.08067	9.0
135.11690	29.2
137.09636	4.5
137.13266	6.6
137.60831	2.3
141.09132	4.5
142.07805	2.0
143.08607	3.8
145.10120	9.6
147.08037	7.8
147.11673	42.2
149.09628	7.7
149.13268	10.1
153.09096	9.2
157.10101	7.1
159.11726	3.0
161.09618	12.3
161.13264	9.1
165.09183	4.5
167.10670	11.0
171.11681	7.2
173.13173	2.4
175.11151	17.5
175.14839	13.9
179.10706	12.7
181.12277	2.4
187.14830	7.0
189.12772	11.9
189.16379	48.6
193.12216	26.4
203.14394	2.4
203.17999	7.0
207.11780	2.0
207.13773	5.8
213.16370	9.5
229.55661	2.6
231.17438	24.9
232.17758	2.0
234.06824	2.4
234.10216	2.7
234.13976	2.4
249.09203	5.6
249.12851	3.3
249.16327	6.8
249.18515	100.0
250.18846	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03396	0.2
69.47842	1.4
70.06567	0.3
79.05455	0.3
81.03384	0.3
84.08143	1.7
85.02909	1.4
88.07629	7.2
91.05452	0.6
98.98469	11.7
105.07018	0.6
107.04934	0.4
115.05425	0.3
117.07009	0.4
123.04420	0.7
128.06184	0.9
131.04898	0.8
131.05823	0.2
131.08543	1.0
133.06465	0.8
136.06157	0.7
137.01033	0.2
137.05960	0.5
143.08539	2.7
145.06435	0.6
146.05956	0.4
147.04387	0.3
148.05124	0.6
149.05977	0.7
159.08043	1.4
160.05215	1.6
160.11195	1.3
161.05988	3.5
161.09454	0.3
161.33965	0.3
162.05464	1.9
163.06268	0.5
164.07066	4.1
165.61502	0.2
171.08049	2.0
173.05893	0.3
174.06696	0.7
174.99146	0.4
176.07016	1.3
177.07845	29.7
178.08282	0.8
179.10640	0.3
188.10701	2.6
189.09085	2.0
190.08528	0.3
204.10190	0.6
206.11758	100.0
207.12111	3.0
207.37227	0.2
240.38123	0.3
249.96770	0.3
250.14398	27.7
251.14789	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.9719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40017	2.0
70.28769	5.8
90.31911	2.1
94.93044	2.8
96.92815	3.2
98.98449	3.8
121.09398	1.9
138.05368	2.4
176.93549	3.2
187.31015	2.0
225.24547	2.0
250.97200	100.0
251.03157	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47173	1.1
53.03942	2.5
55.01879	3.6
55.05503	2.9
57.03436	9.3
58.14524	1.2
58.96270	1.2
61.02921	10.6
67.05505	5.0
69.03431	18.9
69.07064	2.5
71.01369	1.3
71.04990	4.6
71.29815	1.8
73.02901	4.3
79.05487	7.6
81.03423	8.4
81.07063	6.9
83.04990	1.4
85.02905	100.0
85.06553	1.6
86.03227	1.4
87.04483	3.7
91.03936	6.6
91.05495	5.4
93.07045	5.5
95.04982	3.3
95.08624	5.7
97.02888	20.7
97.06546	5.0
98.06840	1.9
98.98465	68.7
99.04452	4.3
103.05486	2.4
104.03467	3.1
105.07021	8.3
107.04960	9.0
107.08584	6.6
109.02886	7.5
109.06521	4.6
109.10172	3.6
111.04457	1.9
111.08117	1.9
113.05954	1.6
115.03929	2.3
117.07056	2.0
119.08589	5.0
120.08105	5.5
121.06488	2.4
121.10151	4.0
123.08048	3.6
127.03919	21.8
129.07008	1.8
131.08585	4.5
133.10165	5.4
135.08070	3.4
135.11716	1.6
136.06180	14.3
137.05948	2.1
137.09641	3.7
143.08615	1.4
145.04955	22.7
145.06213	1.8
145.10118	5.9
146.05978	1.7
147.11658	2.9
149.09633	4.0
151.03914	1.5
151.11078	1.3
157.10109	1.5
159.11685	2.2
161.09639	2.1
163.06061	1.8
163.11241	1.8
170.48795	1.2
173.09599	1.7
173.13274	2.1
174.99303	1.6
175.11165	2.9
177.09093	1.6
180.92427	1.2
187.14816	3.0
191.07069	1.4
191.14282	2.2
206.08142	2.9
213.73578	1.3
215.14354	4.1
221.15337	1.3
233.15387	6.4
234.11653	1.7
234.13754	1.8
251.12901	3.3
251.16406	11.7
252.14670	6.0
267.33472	1.4
272.68503	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	Gemfibrozil
Peak:m/z	Relative Intensity
53.03931	0.8
55.05506	4.5
57.03440	3.6
57.07072	0.6
62.97453	0.5
64.08627	0.6
65.03944	0.9
66.98671	0.7
67.05507	15.5
69.03426	1.0
69.07061	2.5
69.16661	3.4
69.17067	1.2
69.20544	0.6
71.04993	0.7
79.05495	6.7
81.07057	37.2
83.04985	1.6
83.08617	1.4
91.05476	6.2
93.07042	7.3
95.04945	2.1
95.08607	25.8
97.06539	4.3
98.98473	27.1
99.04448	0.7
100.31547	0.6
105.06374	1.0
105.07035	11.3
107.04933	1.2
107.08595	20.0
109.06525	6.3
109.10160	22.2
111.04459	1.1
111.08092	3.8
115.05377	0.7
117.07004	2.2
119.08569	7.5
121.06484	0.8
121.10176	3.2
122.10944	6.2
123.08064	3.2
123.11714	0.7
125.05997	3.7
125.09629	3.7
129.06993	1.0
130.07797	0.8
131.08580	6.9
133.10114	5.8
135.08055	5.4
135.11720	1.4
137.05959	1.4
137.09619	3.0
139.07549	6.3
142.07780	0.7
143.08510	1.3
145.06416	1.2
145.10135	12.5
146.10359	0.8
147.11639	4.2
149.06006	1.3
149.09584	2.4
151.07535	2.1
153.07874	0.9
153.09105	17.3
157.10100	1.1
159.08061	2.1
159.11710	3.9
161.13225	1.0
163.07558	2.1
163.11197	1.2
165.07066	1.0
165.09087	1.3
167.10635	1.2
169.10158	0.8
173.09625	3.1
173.13304	1.5
174.99269	1.0
175.11221	2.2
177.09111	5.6
179.08600	1.2
181.10124	0.8
187.14824	7.3
189.16455	1.0
191.10658	7.3
191.14288	2.2
193.10080	1.6
194.10907	0.9
195.11838	0.6
197.13255	1.3
205.15903	2.4
207.11665	0.7
208.08862	0.7
208.12421	0.9
209.09592	0.6
209.13199	0.9
215.14311	14.2
221.09515	0.7
223.14879	0.9
233.15369	100.0
234.15738	3.1
236.11850	1.6
251.08240	0.7
251.10681	1.6
251.14198	7.0
251.16460	27.9
252.09367	4.3
252.16699	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.164
Annotation	Gemfibrozil
Peak:m/z	Relative Intensity
55.05504	2.3
65.18555	0.8
67.05494	2.0
68.04456	0.7
69.03419	1.4
69.07051	2.3
69.11211	5.4
69.11615	1.4
71.04979	2.6
79.05479	2.7
79.54531	0.7
81.07044	4.1
83.04987	1.6
83.70139	0.8
85.79970	0.8
91.05477	6.0
93.07031	4.5
95.04951	1.9
95.08588	3.3
97.06550	0.8
98.93340	0.8
98.97851	1.4
98.98463	21.6
105.07024	34.4
107.08614	6.7
109.06507	1.3
109.10160	0.9
117.06993	2.2
119.04903	1.3
119.08569	22.6
121.06479	1.3
121.10124	3.0
123.08074	0.9
123.11654	1.1
125.33701	0.8
129.07008	2.3
130.07803	0.9
131.08546	7.0
133.06500	1.8
133.10126	11.1
135.07997	1.7
135.11674	1.0
140.00365	0.8
142.07745	5.5
143.08604	1.6
145.09006	1.5
145.10118	27.1
147.11679	100.0
148.11986	1.7
149.09651	4.5
149.13197	1.8
155.08536	2.3
156.09283	1.0
157.08897	1.4
157.10110	17.5
158.10677	1.1
159.11728	2.2
159.85622	0.8
161.13228	1.9
163.11197	10.1
165.06989	1.2
167.07013	5.5
167.08434	1.5
169.10088	0.9
171.11646	1.2
172.12358	1.1
173.09653	4.2
173.13271	6.8
175.11176	35.8
179.08617	1.1
182.10876	2.2
187.14804	13.2
189.12663	1.0
189.16382	7.5
191.14307	5.4
197.13315	6.0
201.09100	1.8
205.15868	41.7
206.16071	1.6
209.13214	1.5
215.14348	12.7
221.13138	1.0
223.11031	1.0
233.15358	68.9
234.15750	1.8
251.06992	3.3
251.10649	1.6
251.14343	3.2
251.16394	44.7
274.74570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1641
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
51.08264	2.0
53.03963	4.2
55.01868	3.2
55.05517	16.8
57.03415	3.4
57.07077	3.2
58.54266	2.1
59.05007	7.3
65.03938	3.4
67.05508	42.6
69.03432	6.9
69.07067	14.6
70.51144	5.7
71.04995	11.5
73.06558	3.1
79.05491	33.2
81.07059	67.2
83.04983	11.9
83.08636	4.4
85.06555	8.0
91.05483	26.3
93.07045	60.3
95.04971	28.5
95.08609	100.0
97.06533	15.7
97.10173	3.6
98.22780	2.5
98.98467	58.9
99.04432	4.1
99.08141	2.2
99.38744	2.1
105.07034	48.2
107.04971	3.2
107.08600	72.7
109.06520	44.3
109.10159	33.8
111.08082	13.8
113.06029	4.9
117.07045	8.3
119.08582	35.3
121.06506	10.6
121.10161	29.4
123.08070	31.2
123.11729	5.6
125.05943	4.8
125.09608	3.8
127.07585	4.9
129.07002	5.3
130.07861	2.4
131.08588	18.5
133.10121	31.4
135.08055	12.8
135.11702	36.1
137.05972	3.7
137.09610	22.4
138.06436	3.2
139.07613	3.9
141.09108	3.1
142.07713	2.4
143.08626	4.0
144.09354	2.0
145.10138	32.6
147.08035	4.9
147.11682	31.2
149.09637	12.2
149.13190	10.0
151.07564	2.5
151.11206	4.8
155.08559	2.3
155.10651	2.7
157.10127	7.6
158.10776	2.3
159.08078	7.0
159.11679	27.4
161.09662	4.0
161.13274	6.1
163.11183	9.2
163.14839	6.4
165.09138	3.2
169.10136	3.3
171.11752	4.2
173.09616	13.8
173.13165	10.5
174.99265	2.5
175.11191	15.7
175.14749	4.8
177.09137	6.0
177.12755	12.3
177.16441	6.0
179.14281	2.8
182.10828	3.7
187.14806	33.1
189.12721	3.6
191.10701	3.9
191.14265	15.7
193.12234	5.3
197.13295	7.2
203.14378	7.2
205.15881	23.1
205.63864	2.3
215.14330	31.2
221.15431	7.7
223.16910	4.8
232.69196	2.0
233.07945	2.2
233.15372	55.8
251.12378	2.8
251.16414	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
53.00304	2.1
53.03933	7.4
55.01866	5.4
55.05514	14.8
57.03421	2.6
57.07065	2.3
58.25518	2.1
58.31569	2.3
59.04991	8.0
65.03927	3.2
67.05231	2.1
67.05508	23.8
69.03436	18.8
69.07063	16.4
70.07398	2.5
71.04994	25.2
71.29774	2.9
71.30156	2.7
73.06549	3.4
79.05491	34.2
79.89773	2.0
81.07059	40.1
83.04977	12.8
83.08590	6.0
85.02894	5.0
85.06496	3.5
91.05481	57.3
92.05789	2.7
93.07045	60.6
95.04962	9.7
95.08604	32.9
97.06537	17.1
98.06840	2.5
98.98468	100.0
99.04431	3.8
99.08044	3.0
103.05445	2.3
105.07035	78.2
106.07386	2.5
107.04963	6.1
107.08595	52.5
109.06525	14.0
109.10137	20.2
111.04441	6.1
111.08085	8.3
113.09661	3.6
115.05393	4.5
117.07018	18.0
119.04924	2.4
119.08582	77.0
119.09442	4.4
121.06523	15.3
121.09311	2.7
121.10145	40.0
122.10513	2.5
123.04451	12.3
123.08090	12.6
123.11685	6.0
125.05959	3.9
125.09599	7.5
127.07547	4.8
127.11182	6.0
129.07014	9.0
130.07796	3.3
131.04915	2.4
131.07562	2.7
131.08563	51.3
133.06506	2.8
133.10133	29.6
135.04416	4.1
135.08047	18.3
135.11670	22.9
137.06000	5.5
137.09589	9.5
139.07539	2.7
141.06964	3.5
141.09151	2.8
142.07770	4.0
143.08536	8.4
144.09341	2.7
145.06432	7.3
145.09007	4.3
145.10120	73.6
147.08044	21.3
147.10818	2.4
147.11700	26.9
147.23979	2.2
149.05956	5.1
149.09630	38.5
149.13219	5.2
151.07547	3.4
151.11166	2.8
153.09091	6.1
155.08536	4.5
156.09361	3.5
157.10135	8.3
158.07274	3.2
158.10861	3.3
159.08044	12.4
159.11682	18.3
160.08636	2.5
161.09621	14.0
161.13252	8.4
163.07567	2.6
163.11195	11.6
163.14838	5.9
165.09129	11.0
167.08565	3.0
171.11661	5.2
172.08868	3.2
172.12291	2.9
173.05992	2.6
173.09666	21.2
173.13287	20.3
174.99200	3.7
175.11214	22.4
175.14729	2.9
177.09073	13.2
177.12729	3.9
177.16457	4.0
179.10654	4.5
182.10886	2.2
187.11180	6.9
187.14821	39.6
189.09192	2.0
189.12747	4.1
191.07054	4.0
191.10696	6.8
191.14281	9.2
193.12201	4.3
197.13286	6.2
203.14326	4.2
205.12263	3.6
205.15884	42.5
206.16257	2.2
215.14311	29.4
221.15318	3.1
233.11691	3.0
233.13109	4.3
233.15352	72.2
234.12047	4.4
251.12535	6.2
251.16417	78.4
252.16701	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1641
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
50.26016	3.5
53.03948	10.1
54.40142	4.0
55.01875	6.3
55.05511	22.5
57.07081	7.5
59.04985	5.7
60.24563	4.3
67.05508	51.0
69.03433	9.8
69.07082	25.7
69.07401	4.5
69.69724	15.8
71.04998	9.5
75.26521	3.9
75.37807	3.6
79.05490	74.2
81.07051	81.2
83.04984	15.4
83.08614	13.0
85.06545	11.2
91.05474	85.5
91.06002	5.7
93.07041	99.8
95.04979	20.1
95.08604	79.4
97.06522	26.1
98.98464	74.0
99.04481	7.3
100.86204	4.0
103.05549	5.1
105.07030	100.0
107.04963	8.5
107.08597	79.5
109.05892	5.0
109.06506	23.6
109.10160	43.7
111.04450	13.8
111.08073	14.1
113.09676	4.6
115.10989	4.6
117.07035	29.2
119.08585	51.9
121.06551	8.5
121.10143	80.8
123.08064	13.8
123.11719	17.1
125.05997	12.3
125.09595	7.3
127.05886	3.9
129.07056	4.6
131.08577	66.2
133.06512	9.7
133.10139	25.5
133.35425	3.8
134.09465	4.3
135.04445	10.5
135.08075	10.8
135.11682	22.1
137.05998	10.3
137.09636	6.2
139.07542	9.1
143.08574	7.2
144.09337	4.9
145.10118	71.9
147.08057	6.6
147.11690	82.0
149.05974	15.1
149.09634	13.7
149.13292	6.7
151.07524	19.1
152.95299	4.5
157.10164	6.3
159.08002	8.5
159.11699	31.5
161.09651	5.7
161.13263	14.9
163.07510	20.7
163.11206	9.9
163.14848	7.5
165.09105	12.2
167.07106	4.9
173.09636	12.8
173.13295	6.4
175.11195	18.5
175.14902	6.8
177.09128	37.5
177.16402	12.2
187.14816	64.7
191.10683	18.1
191.14362	5.3
193.12236	6.3
196.19061	4.4
197.13335	6.2
203.54411	4.5
205.15900	31.4
215.14339	23.6
233.15366	52.9
251.07048	6.0
251.16411	76.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
52.60644	2.7
53.03958	6.7
53.07268	2.7
55.01884	2.8
55.05512	17.1
57.07066	5.0
57.14325	2.8
59.05008	3.9
65.03934	4.1
67.05508	52.2
69.03434	4.5
69.07065	24.0
69.27190	20.7
71.04997	8.5
73.34078	2.5
79.05495	57.6
81.07057	61.3
83.04986	10.8
83.08640	7.4
85.06543	5.8
91.05479	75.4
91.06007	5.4
93.03442	5.0
93.06133	3.1
93.07043	75.4
95.04977	17.1
95.08601	74.5
97.06544	14.3
97.10147	4.1
98.98463	71.4
103.05422	3.4
105.07027	100.0
106.07430	3.4
107.04961	12.9
107.08596	51.7
109.06516	13.8
109.10156	35.5
111.04470	12.6
111.08105	10.3
116.06259	3.2
117.07014	21.1
119.08581	47.6
121.06511	19.4
121.10133	37.7
123.04448	4.8
123.08063	10.4
123.11713	9.1
125.05998	7.9
129.07005	7.0
130.07782	3.6
131.08568	61.3
131.09480	4.7
133.06500	5.9
133.10115	16.7
135.04414	11.5
135.08078	10.2
135.11720	13.6
137.05974	9.7
137.09634	7.8
139.07541	63.9
143.08533	5.4
145.06534	3.2
145.10110	62.0
147.08089	6.0
147.11688	74.2
149.06007	11.8
149.09607	9.2
149.13246	4.8
151.07559	14.2
151.11142	5.3
153.09117	3.2
157.10143	10.7
158.10931	3.0
159.08054	9.4
159.11691	21.2
161.13292	7.6
163.07584	7.2
163.11153	7.0
165.09129	5.1
167.07040	39.9
167.08440	3.8
173.09633	8.1
173.13261	7.8
175.11240	13.8
175.14862	12.1
177.09122	26.2
177.16420	9.2
187.11221	4.5
187.14821	44.3
191.10738	11.1
191.14381	3.7
193.12296	8.5
195.06511	4.3
195.10280	2.8
197.13353	4.5
205.15883	41.9
213.07576	3.2
215.14337	18.5
219.10309	4.2
221.15532	4.3
233.15366	50.4
251.07066	9.3
251.12721	5.3
251.13899	4.1
251.16360	49.4
251.20291	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	Cheimonophyllon D
Peak:m/z	Relative Intensity
52.26688	0.9
53.03946	1.8
55.01864	1.9
55.05505	10.3
59.04993	2.2
67.05504	22.8
69.03424	2.6
69.07068	4.3
71.04989	4.2
71.31937	1.6
79.05492	3.9
81.03419	1.3
81.07058	7.5
83.04971	2.4
83.08609	1.2
85.06535	5.1
88.39827	0.8
91.05476	7.6
93.07043	14.8
95.04963	7.2
95.08604	63.5
97.06530	8.4
98.98466	100.0
99.04422	5.1
99.08128	1.1
105.07048	6.3
107.04991	1.1
107.08568	4.8
109.06515	3.5
109.10153	13.7
111.04474	1.1
111.08080	21.8
116.99490	3.0
117.07022	2.6
119.08569	13.3
121.06501	1.9
121.10125	2.9
123.08067	5.9
131.08568	2.9
133.10139	3.4
135.08046	3.9
135.11746	1.3
137.05960	1.7
137.09625	12.9
139.07562	1.6
140.01207	1.0
145.06467	1.0
145.10109	5.8
147.08046	5.7
147.11693	1.9
149.09648	3.0
151.11182	1.5
153.09128	1.0
155.10701	4.4
157.10120	1.8
159.08131	1.4
159.11714	3.2
161.09630	1.3
161.13339	1.3
163.11168	2.0
165.09114	94.6
165.60452	1.0
166.09482	1.5
169.10170	1.2
173.09673	2.0
173.13255	2.3
174.99225	2.1
175.11179	2.1
175.14838	1.0
183.10185	5.3
187.14833	4.2
191.14273	2.9
205.15889	2.3
215.14301	3.0
233.15305	5.1
238.05028	1.0
251.07051	1.3
251.10576	2.1
251.14088	2.0
251.16411	23.3
251.20126	1.1
252.16884	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.7
55.01864	3.7
55.05508	10.0
57.03447	3.1
66.54794	2.0
67.05502	14.7
69.03419	5.3
69.07074	12.0
69.45210	13.7
71.05006	4.0
79.05492	25.8
81.07060	63.6
83.04975	2.2
83.08609	4.5
84.12356	2.1
91.05471	18.2
93.07046	25.6
95.04967	11.2
95.08611	21.1
97.06531	4.7
98.98471	100.0
99.04428	2.4
105.07038	36.8
106.07817	3.7
107.08597	25.6
109.06525	12.2
109.10166	6.7
111.08038	3.6
116.99432	2.0
117.07014	7.0
119.08582	27.4
120.09362	6.9
121.06510	5.9
121.10139	15.8
123.08076	12.9
123.11668	2.1
124.08831	4.2
125.06019	2.5
125.09592	4.0
128.06242	2.7
129.07027	5.7
130.07701	2.9
131.08562	13.2
133.10129	27.0
134.10905	3.8
135.08099	7.4
135.11674	7.1
137.09619	3.7
138.10356	2.8
139.07498	3.5
143.08546	7.5
145.10130	13.6
147.08057	2.5
147.11708	16.9
149.09596	4.0
153.07019	2.6
153.09103	4.9
155.08577	2.4
156.09441	2.6
157.10129	7.2
159.11708	10.7
161.09639	2.6
161.13243	19.4
162.14041	5.7
163.11191	3.5
163.32574	2.4
164.08215	2.8
165.07034	7.3
166.07787	3.3
166.09883	3.9
167.08531	5.9
169.10118	3.3
171.11659	3.7
173.13237	7.0
174.99199	2.5
175.11156	3.1
175.14796	7.9
177.12787	5.2
178.09879	2.3
179.08572	5.7
180.09322	4.2
181.10152	7.6
183.10165	4.8
183.11720	5.1
191.14357	4.3
192.09253	4.2
193.06406	2.9
193.10110	9.2
194.10939	3.2
195.11736	12.5
199.14874	3.1
205.12157	3.3
205.15924	3.4
207.11674	8.3
208.12503	4.7
209.09563	2.3
209.13297	13.8
215.14270	4.7
216.15099	2.3
219.13843	2.7
221.05949	3.6
221.09596	4.1
221.13254	7.3
222.13846	3.1
223.07545	4.4
223.14815	7.3
233.15334	4.6
234.16051	6.4
236.04639	2.2
236.11894	5.0
236.15546	5.0
237.15823	1.9
251.03322	2.2
251.07066	18.9
251.10622	8.0
251.14206	19.4
251.16252	15.1
251.17990	29.9
270.46078	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2006
Annotation	Methyl farnesoate
Peak:m/z	Relative Intensity
55.01875	2.2
55.05514	6.7
57.07074	3.9
59.05004	2.1
67.05511	17.6
69.07065	15.8
71.04999	10.4
71.08576	1.5
71.08924	2.1
71.37675	1.4
74.45999	1.2
79.05499	8.9
81.07059	20.7
83.05000	1.8
83.08620	5.0
85.06539	11.6
85.77392	1.3
91.05478	9.8
93.07048	32.0
95.04973	2.3
95.08607	16.1
97.06529	2.8
97.10165	2.5
98.22551	1.4
98.98468	100.0
99.04475	1.8
99.08130	1.7
105.07037	33.4
107.08598	18.4
109.06555	2.0
109.10149	31.6
111.04449	1.6
111.08022	3.0
116.99535	3.0
117.07005	3.9
119.08584	27.4
121.10128	14.8
123.08084	3.5
123.11717	4.1
125.09644	15.0
129.06961	1.4
130.07785	3.0
131.08557	11.0
133.10138	14.6
133.62370	1.6
135.08072	4.6
135.11688	5.9
135.98932	1.3
137.09602	2.0
143.08554	1.7
144.09337	2.8
145.10129	21.2
147.11685	11.0
149.09642	4.4
149.13268	3.9
157.10086	1.8
159.10411	2.6
159.11696	34.7
161.13264	58.9
162.13574	2.0
163.11194	4.1
165.07018	2.6
166.07697	1.5
167.08499	2.0
173.13239	7.7
174.99287	2.6
175.14876	5.1
177.12801	5.7
177.16394	3.7
179.08563	1.8
181.09935	1.9
181.12347	1.8
187.14751	1.5
191.14305	3.0
193.12299	2.2
194.10922	1.4
195.08086	1.8
201.16411	16.9
209.13263	1.7
212.27957	1.4
219.17422	11.3
233.15460	4.7
233.19049	2.1
237.05342	1.6
251.06995	16.1
251.10599	2.7
251.14244	5.0
251.16267	2.6
251.18155	4.1
251.20113	6.2
252.04083	1.8
252.07848	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91396	0.3
71.27338	0.3
71.27757	0.3
73.66476	0.2
98.97855	0.4
98.98470	5.0
101.00881	2.2
101.90469	0.2
116.98831	0.4
119.01923	4.5
119.02706	0.5
122.97874	0.5
134.99881	1.7
137.02933	0.8
140.98810	2.2
153.00923	0.5
158.99876	7.7
160.00050	0.6
161.01468	0.5
162.99428	0.3
169.00308	0.2
177.00951	58.8
178.01051	3.2
179.01274	0.4
185.01385	1.4
195.02025	0.7
200.02553	0.6
201.00960	1.0
203.02515	29.7
204.02605	1.5
205.00429	1.3
210.99405	1.8
219.02010	12.7
220.02089	0.6
226.04106	0.4
229.00407	8.0
229.02602	0.4
230.00650	0.8
247.01498	100.0
248.01619	6.4
249.02028	0.5
270.03094	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17828	3.6
71.44715	0.5
79.05493	0.8
81.07037	0.7
84.74759	0.5
87.00803	2.4
91.05482	1.8
93.07056	2.6
98.98465	11.2
103.05463	8.6
105.07034	0.9
107.04945	0.9
118.06546	10.7
120.08105	100.0
121.06540	0.6
121.08441	1.8
128.04945	1.0
129.07112	0.5
131.04938	0.7
136.06212	1.1
137.05972	1.2
146.06009	19.4
147.06371	0.8
160.07442	0.5
166.08638	2.3
175.11220	0.6
175.53432	0.4
179.07040	1.0
188.07060	19.0
188.08733	1.0
192.06555	1.0
206.08125	54.1
207.08482	1.0
234.07576	0.8
252.16876	0.9
252.19630	1.5
255.56735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17828	3.6
71.44715	0.5
79.05493	0.8
81.07037	0.7
84.74759	0.5
87.00803	2.4
91.05482	1.8
93.07056	2.6
98.98465	11.2
103.05463	8.6
105.07034	0.9
107.04945	0.9
118.06546	10.7
120.08105	100.0
121.06540	0.6
121.08441	1.8
128.04945	1.0
129.07112	0.5
131.04938	0.7
136.06212	1.1
137.05972	1.2
146.06009	19.4
147.06371	0.8
160.07442	0.5
166.08638	2.3
175.11220	0.6
175.53432	0.4
179.07040	1.0
188.07060	19.0
188.08733	1.0
192.06555	1.0
206.08125	54.1
207.08482	1.0
234.07576	0.8
252.16876	0.9
252.19630	1.5
255.56735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1092
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
53.03950	0.3
55.01863	0.2
57.03426	0.3
67.13196	0.1
69.03426	1.0
69.40649	0.9
71.04996	1.2
73.02922	1.6
75.66051	0.2
78.23990	0.1
79.05459	0.2
81.03416	0.8
81.07038	0.2
84.08132	0.2
85.02892	0.2
94.04039	0.5
95.06080	0.2
98.98468	11.1
99.04456	2.2
100.73968	0.2
102.65887	0.1
110.07164	0.2
116.99518	0.2
117.05492	4.3
119.01977	0.2
119.03546	1.2
121.06484	0.2
122.06073	0.2
122.99409	0.2
136.06187	100.0
137.04655	0.9
137.06664	1.1
142.76045	0.2
152.36960	0.2
156.97496	0.2
160.30882	0.2
175.06329	0.2
176.98911	0.2
177.00967	1.0
203.02515	0.4
204.06702	0.2
207.12071	0.1
229.00450	0.2
234.07529	0.2
245.61353	0.1
247.01512	1.5
248.01599	0.3
252.08572	0.3
252.10725	2.5
253.11108	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1231
Annotation	dimethachlor OXA
Peak:m/z	Relative Intensity
55.05509	0.4
57.03436	2.8
57.25274	0.3
64.95977	0.4
67.05513	0.4
69.03410	0.3
69.29816	0.8
69.30241	1.2
71.04996	0.4
74.40331	0.2
78.04768	0.3
79.05497	2.3
81.07063	1.0
82.07378	0.4
85.02908	29.3
91.05489	0.6
93.07048	0.7
95.04993	0.5
97.06513	0.5
98.98470	3.5
103.05457	1.4
105.07033	100.0
106.07364	1.5
107.08569	0.6
108.19529	0.3
109.10148	0.4
119.08517	0.6
120.08108	0.7
121.10193	0.5
122.09671	54.8
123.10013	1.1
125.09636	0.3
131.03374	0.9
131.08530	0.3
133.10100	0.6
135.08112	0.3
136.06227	1.3
137.09615	0.4
147.11610	0.3
159.11749	0.3
161.09550	0.3
163.11191	0.3
175.14722	0.3
188.10712	3.5
206.11771	41.5
207.12068	1.1
217.15939	0.4
220.07211	1.2
234.11234	1.2
234.13509	0.4
234.15665	0.6
235.16994	0.6
252.09863	0.5
252.12299	10.0
252.16507	0.5
253.12323	0.5
253.18109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01871	0.8
55.05508	0.8
57.03427	1.4
59.04995	0.7
65.03939	4.0
67.05495	1.5
69.03443	2.2
69.07062	0.9
71.05001	0.5
71.29104	0.6
73.02902	0.3
79.05505	2.0
81.03417	0.4
81.07045	2.2
83.04964	1.0
85.02894	1.8
85.06519	0.5
91.05476	100.0
92.05811	1.2
93.07024	1.7
95.04970	1.1
95.08601	1.5
97.02882	7.1
97.06525	0.8
98.98466	10.7
103.05441	0.5
103.07458	0.3
105.07026	6.9
107.04936	0.6
107.08572	1.7
109.06511	0.9
109.10146	1.0
113.05978	0.4
115.05460	1.3
117.07005	2.5
119.04943	1.4
119.08577	2.1
121.06509	0.8
121.10149	1.0
125.09652	0.5
128.06198	1.8
129.07022	3.4
131.08557	1.1
133.06482	6.5
133.10191	1.1
136.05257	0.4
136.06160	1.8
137.04590	0.6
137.05984	2.5
137.09592	0.5
141.07036	0.4
143.08566	1.2
143.52478	0.3
145.06436	2.0
145.10126	0.5
147.08040	1.0
147.11691	0.7
149.09636	0.9
149.13292	0.4
153.06992	0.7
157.06473	1.4
157.10214	0.4
159.08051	0.6
159.11728	1.0
161.59132	0.4
164.04707	0.9
165.12866	0.4
169.06514	0.4
171.07986	0.9
175.07594	0.8
175.11186	0.9
179.07028	5.7
179.10719	0.4
189.09122	0.4
189.16351	0.6
193.08638	0.4
193.12276	0.4
199.07565	0.5
217.15895	1.0
221.05977	0.5
235.09822	0.4
235.13567	0.5
235.16943	1.6
248.13232	0.3
253.10802	0.7
253.14665	1.5
253.18036	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.0
57.03439	1.4
61.02925	1.9
67.05527	1.5
69.03429	5.8
70.06593	1.8
71.28833	2.3
72.57484	1.2
73.06535	8.0
81.03421	2.6
85.02904	23.6
88.55241	1.3
95.04971	1.5
95.83545	1.4
97.02879	6.9
98.98466	100.0
99.04446	1.6
108.29485	1.3
109.02917	2.9
110.07213	1.6
116.99508	1.8
119.01862	2.5
119.04967	1.5
120.08088	1.8
127.03939	5.0
131.03419	1.8
137.05998	2.3
145.04955	3.8
159.02902	3.8
160.00029	1.6
161.24715	1.4
177.00981	3.9
178.01053	10.5
179.00780	3.4
194.09294	4.0
195.11252	3.8
197.11789	1.8
202.09213	2.0
204.02669	6.1
205.02336	2.8
217.57448	1.6
219.05031	1.6
220.02197	2.4
221.01689	1.6
229.00468	6.5
230.00600	3.5
234.99449	1.7
247.01512	3.0
248.01622	27.8
248.10016	1.7
249.01244	6.8
253.00378	11.0
254.16122	1.8
257.21948	1.6
271.01736	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1798
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
55.01851	2.1
55.05509	10.2
57.07066	3.9
67.05496	9.0
69.03442	2.4
69.07083	12.0
71.04992	4.1
71.31059	3.8
79.05502	11.1
81.07062	30.5
83.04990	2.9
83.08613	6.9
85.06558	5.8
90.61168	2.7
91.05498	10.9
93.00406	2.1
93.07036	28.0
95.04977	2.7
95.08605	50.9
97.06542	6.7
97.10159	6.4
98.98466	100.0
99.08086	4.3
105.07046	22.2
107.08591	25.0
109.06535	9.4
109.10143	14.2
111.08088	4.4
113.09658	4.9
116.99570	2.5
119.08573	35.8
121.06531	4.2
121.10149	35.1
123.08074	9.9
123.11732	4.6
125.09638	4.4
127.07572	5.1
129.06947	2.3
131.08580	6.2
133.10129	31.7
135.08064	4.7
135.11693	13.5
137.06024	2.2
137.09612	4.8
139.07567	6.9
139.11205	5.1
140.42569	2.0
145.10112	2.9
147.08084	2.7
147.11670	5.5
149.09637	4.8
149.13243	10.6
151.07602	2.2
153.09113	4.3
153.46832	2.2
159.11725	9.0
161.09590	5.2
161.13266	2.5
165.07085	3.0
165.09122	11.4
167.10645	2.2
169.10199	3.1
171.11668	2.5
173.13252	8.3
175.14830	59.9
176.98972	2.9
177.12775	5.4
179.08449	3.0
179.10674	4.4
189.16344	14.0
192.09303	5.4
193.10112	7.0
193.15977	3.4
195.11740	2.6
195.13869	2.2
197.13348	3.3
199.14893	6.6
207.11673	6.0
207.17525	4.8
211.11020	2.8
217.15858	17.2
235.14790	2.0
235.16937	36.5
252.09286	5.1
253.10046	19.1
253.12251	9.4
253.15811	6.3
253.18108	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1799
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
55.01876	1.9
55.05522	7.9
57.07074	3.2
59.05006	2.5
67.05511	12.4
68.76709	1.6
69.03442	1.8
69.07068	11.6
71.04993	5.0
71.08625	1.8
79.05489	8.7
81.07063	32.9
83.04984	3.2
83.08620	3.9
85.06064	2.6
85.06544	22.0
91.05470	9.1
93.07046	20.7
95.04973	3.8
95.08606	20.4
97.06526	6.1
97.10149	2.1
98.23350	4.9
98.98470	100.0
99.04449	8.3
99.08109	1.8
101.06010	3.6
105.07038	13.2
107.08603	19.0
109.06522	11.5
109.10162	20.1
111.08051	3.5
116.99490	4.0
119.08593	26.6
121.10148	38.4
123.08064	5.6
123.11710	2.6
125.09637	3.0
127.07564	19.1
127.11172	2.3
133.10143	11.5
135.08072	2.5
135.11684	10.5
137.09634	6.9
139.11206	5.1
141.07072	2.5
141.09106	2.2
143.08594	3.9
145.10156	2.5
147.08102	2.0
147.11676	4.3
149.13219	2.0
149.26480	2.0
151.11220	2.3
151.70479	1.6
153.09042	2.2
154.07698	2.4
155.08521	2.5
157.06468	2.3
157.10109	4.6
159.11703	14.5
161.09711	3.6
165.07024	7.5
171.11755	2.9
173.13191	2.3
174.99182	1.8
175.11168	6.4
175.14792	14.0
177.12778	7.9
179.10699	4.2
181.06470	3.5
182.07272	3.6
183.11627	2.6
189.12814	2.6
189.16425	4.3
193.06697	2.4
193.10173	4.0
193.12222	2.0
193.15886	3.8
195.07953	1.5
195.81787	1.7
197.13257	2.8
199.14838	7.8
207.11539	2.1
207.17564	2.0
210.06804	4.9
211.11169	2.9
217.15881	12.7
221.06000	3.0
225.09102	6.2
225.12856	2.3
235.16946	20.5
238.06274	4.0
253.04829	2.9
253.05898	2.5
253.08508	25.2
253.12236	6.9
253.15802	8.8
253.17802	12.7
254.09276	3.3
254.24796	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1799
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
55.01874	2.4
55.05515	2.8
57.07082	1.5
59.05031	1.1
67.05523	2.2
69.07063	2.0
71.04990	3.7
71.31750	1.2
79.05484	2.6
81.07056	4.9
83.08631	2.4
83.61695	1.2
85.06548	90.9
91.05492	4.5
93.07055	4.1
95.05005	2.0
95.08623	3.7
95.65678	1.1
98.98475	100.0
99.04478	1.0
100.98888	1.0
105.07037	7.2
107.08604	17.5
107.09287	1.8
109.06503	2.1
109.10178	2.4
111.08073	2.4
111.22839	1.1
113.06017	43.6
116.99501	2.1
117.07027	1.5
119.08590	10.8
121.10159	1.9
123.08047	1.0
123.11713	5.1
125.09634	2.4
131.08495	1.2
133.10127	7.8
135.08066	1.2
135.11717	8.3
145.10214	1.5
147.11667	3.4
153.06992	1.3
157.10115	1.8
159.11682	5.2
165.07030	4.9
173.13258	1.8
175.11168	1.1
175.14845	15.3
177.12766	4.1
179.10637	1.1
182.07281	2.5
193.06543	3.8
193.15907	2.0
195.13858	1.3
199.14917	1.5
210.06770	2.8
216.41270	0.9
217.15883	5.5
221.06030	3.0
225.09116	2.9
235.16988	5.9
238.06238	1.2
253.08641	11.2
253.12134	2.0
253.17938	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1798
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03944	1.6
53.32354	1.5
55.01879	3.5
55.05521	8.1
57.03423	3.2
57.07066	2.5
58.56506	1.2
59.04996	4.3
67.05507	8.5
69.03436	8.3
69.07074	9.5
69.17045	7.3
69.17449	3.9
71.04993	19.1
79.05492	8.6
81.03395	1.8
81.07059	22.3
83.04975	4.5
83.08616	6.0
85.02920	2.8
85.06546	31.2
91.05479	13.6
92.07383	1.4
93.07054	16.6
95.04968	8.6
95.08610	18.6
97.02898	2.1
97.06538	9.7
97.10167	3.0
98.98466	100.0
99.04457	34.0
99.08092	2.9
100.98964	1.7
101.05996	2.5
105.07025	19.2
107.08603	21.9
109.06519	7.2
109.10158	15.1
111.08062	7.9
113.06004	14.8
115.07565	2.2
116.99531	2.7
117.07015	2.9
119.08569	23.0
121.06533	2.7
121.10136	10.8
123.08093	4.0
123.11713	6.9
125.05987	1.9
125.09635	8.5
127.11224	1.6
129.07074	1.9
131.08586	4.2
133.10124	15.6
135.08044	2.7
135.11700	14.1
137.09637	4.7
137.13290	2.6
139.07521	1.7
139.11194	3.7
141.05557	1.4
141.09055	2.7
142.07869	1.7
143.08580	3.1
145.10161	4.2
147.08090	1.6
147.11670	6.8
149.09628	4.5
149.13292	4.6
151.11203	10.0
155.08569	3.3
157.10202	2.0
159.11674	11.2
161.09601	4.1
161.13252	2.0
165.06993	1.9
165.09138	1.8
165.12654	1.9
167.08543	2.0
169.10143	2.5
174.99208	2.1
175.11215	3.5
175.14827	9.7
176.98967	2.9
177.12752	6.0
179.08461	1.9
179.10683	2.3
183.11690	2.2
189.16339	5.0
193.10162	3.1
193.15897	2.9
194.10927	2.4
195.08051	2.6
197.11646	1.6
197.13335	3.2
199.14835	3.4
207.11751	4.4
210.06720	1.9
211.14859	1.8
217.15863	8.7
225.12907	1.8
230.56883	1.4
235.11325	2.0
235.16957	12.1
238.09993	1.5
252.09373	3.0
253.10008	7.5
253.12251	13.6
253.15816	4.2
253.17586	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1798
Annotation	Elongatol E
Peak:m/z	Relative Intensity
50.76795	0.8
55.05505	2.1
57.03447	0.6
57.07077	0.7
58.57750	0.5
62.65219	0.4
67.05495	3.6
69.03432	2.3
69.07066	3.5
69.34039	3.1
71.05003	0.7
74.19939	0.4
79.05482	3.2
81.07053	6.5
83.04987	0.7
85.06525	0.9
91.05470	3.1
93.07048	7.4
95.04980	1.1
95.08599	4.8
97.06530	7.7
98.98467	3.4
99.08069	0.8
105.07021	9.1
107.08595	8.1
107.99374	0.6
109.06504	2.2
109.10175	2.7
111.08080	26.6
117.07030	1.6
119.08578	9.5
121.06512	1.7
121.10139	3.7
123.08043	3.4
125.09638	0.7
127.11102	0.5
128.06247	0.7
129.07043	1.5
131.08540	2.4
133.09099	0.6
133.10132	10.6
135.08054	4.2
135.11658	3.8
137.09564	2.3
142.07814	0.8
143.08574	2.4
145.10135	6.1
147.08034	1.5
147.11682	3.9
148.87691	0.5
149.09575	2.1
149.13269	1.3
151.11186	0.8
157.10164	3.2
158.10872	0.5
159.11668	5.2
161.09631	4.5
161.13249	1.8
162.10381	2.1
163.11206	3.7
165.12766	0.6
170.10875	0.5
171.11685	1.0
173.09613	0.9
173.13297	1.3
174.10384	1.0
175.11209	4.7
175.14816	4.7
176.11870	0.6
177.12741	51.9
178.13083	1.7
187.11119	0.8
187.14813	1.4
188.11916	1.2
189.12750	12.5
189.16353	1.8
193.06490	0.5
199.14825	2.1
202.13553	0.9
204.15100	6.5
205.15875	5.8
217.15852	6.6
220.14555	3.1
221.09721	0.5
226.53247	0.5
235.16922	100.0
236.17267	3.4
238.06166	0.5
253.05220	0.4
253.08528	1.1
253.12242	1.1
253.17986	28.3
254.18314	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1799
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03949	3.0
55.01873	4.2
55.05513	17.3
57.03445	3.3
57.07064	9.2
59.04999	7.2
65.03929	4.0
67.05501	36.9
69.03425	10.4
69.07071	34.0
69.52881	4.7
69.53268	6.3
71.05001	12.5
79.05490	22.6
81.07059	66.3
83.04974	11.7
83.08622	6.0
85.06548	15.5
91.05483	15.6
93.07042	30.5
95.04988	12.0
95.08610	30.3
97.06519	19.8
97.10174	4.8
98.98466	100.0
99.04423	3.4
99.08089	11.7
105.07027	28.6
107.08588	34.6
109.06523	13.3
109.10157	63.3
111.08083	11.1
111.11713	3.1
113.06012	6.5
113.09647	3.4
115.05439	2.2
115.07553	2.1
116.99474	2.6
117.07006	4.1
119.08585	21.4
121.06520	4.4
121.10156	22.3
123.08062	9.5
123.11736	7.7
125.06020	4.2
125.08858	2.1
125.09613	13.0
127.07552	7.3
127.11190	2.3
129.07036	3.9
131.08556	10.5
133.10107	20.1
135.08060	4.6
135.11699	10.1
137.09595	12.6
139.07541	3.6
139.11182	3.0
141.09061	2.3
142.07831	2.5
143.08534	3.1
145.10124	9.7
147.08089	5.3
147.11691	18.8
149.09613	8.7
149.13260	5.7
151.11130	5.2
154.07785	2.8
155.08565	3.0
157.10101	10.2
159.11636	10.4
161.09627	9.1
161.13231	4.9
165.06996	5.1
167.08577	3.8
167.10733	4.2
169.10143	5.3
171.11722	2.9
173.13275	6.0
174.99173	2.2
175.11154	6.0
175.14867	9.4
177.12752	7.6
179.08549	2.6
181.10097	2.8
183.11685	4.5
189.12758	3.9
189.16362	9.5
192.09357	5.4
192.45076	2.2
193.09996	2.3
193.12250	2.8
193.15910	4.5
197.13258	4.7
199.14819	6.4
199.56044	2.1
205.15961	3.4
207.11723	11.7
207.13545	2.9
207.17438	4.9
209.13252	2.8
211.07527	2.7
217.15884	19.5
221.06183	2.7
235.13234	5.1
235.16875	28.8
252.09720	2.4
253.08255	2.9
253.10008	7.0
253.12181	20.0
253.17743	21.0
253.54987	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1798
Annotation	2,10-Dihydroxy-2,6,10-trimethyl-3,6,11-dodecatrien-5-one
Peak:m/z	Relative Intensity
50.71974	2.0
51.68625	1.9
53.03945	5.5
55.01863	6.1
55.05516	23.4
57.03436	2.2
57.07087	14.1
59.04992	3.3
65.03927	2.6
67.05507	23.8
69.03431	17.1
69.07066	32.2
71.04983	9.2
71.29867	3.4
71.76761	2.5
79.05487	18.4
81.07057	57.0
83.04963	8.6
83.08614	4.5
85.02898	2.8
85.06549	23.4
91.05476	18.4
93.07044	35.6
95.04960	7.9
95.08607	29.7
97.06525	29.1
97.10157	8.5
98.97846	3.7
98.98468	49.3
99.04470	3.9
99.08078	5.9
101.06020	2.1
105.07033	39.3
107.04932	13.1
107.08595	39.2
109.06521	20.5
109.10162	54.4
111.08081	21.1
113.05989	4.4
113.09698	2.8
117.07005	5.2
119.08585	36.7
121.06501	10.3
121.10136	23.7
123.08044	13.8
123.11684	5.2
125.03882	2.1
125.05993	39.7
125.09637	15.7
126.55642	1.9
127.07517	3.3
127.11177	2.7
129.07022	2.5
131.08560	7.1
133.06488	2.9
133.10133	38.1
135.08023	8.1
135.11710	12.5
137.09613	15.5
139.07607	3.0
139.11128	5.1
142.07788	3.2
143.08583	5.3
145.10178	11.2
147.08040	7.4
147.11678	25.0
149.09628	7.2
149.13274	8.2
151.11191	20.5
153.09123	2.7
155.10623	2.7
157.10123	11.4
159.11693	12.9
161.09612	15.1
161.13248	6.3
163.11179	9.5
165.06982	5.3
165.09113	12.5
165.12749	12.0
167.10661	27.2
171.11662	3.9
173.13272	3.2
174.25371	2.1
175.11252	14.8
175.14818	17.5
177.12750	63.4
177.16298	2.1
179.10716	10.5
187.14780	2.2
189.12720	6.4
189.16400	14.1
192.09409	2.8
193.06566	3.5
193.10210	2.5
193.12230	5.4
193.15892	3.5
199.14790	6.8
204.15088	4.6
205.15843	10.7
207.17470	8.1
210.06834	3.4
217.15904	24.3
221.06071	3.2
221.09695	4.3
223.17081	3.1
235.16919	100.0
236.17227	5.1
238.06226	3.5
253.08658	14.6
253.12274	7.9
253.17999	88.5
254.18085	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.087
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	8.8
70.45908	9.0
71.01353	10.8
75.04476	11.5
87.04493	3.7
87.31860	2.8
92.55836	2.5
103.03941	27.1
126.26905	2.5
131.03375	5.5
159.02884	51.5
159.04073	4.9
187.02426	6.6
219.05003	100.0
261.73230	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99817	4.4
55.01872	6.1
56.96558	12.0
57.03445	5.0
57.07077	4.4
69.03417	5.1
70.06586	12.5
70.10015	7.2
71.01355	29.2
85.02892	6.5
86.09723	6.6
88.66551	4.1
95.52837	4.8
97.02866	4.7
98.23312	4.9
98.97569	8.1
98.98467	59.8
101.00895	3.9
103.03947	15.6
106.02937	4.6
106.72485	5.2
110.07151	6.2
119.01929	14.5
121.06496	5.1
123.05559	86.0
131.01886	7.7
131.03389	27.8
133.04959	7.6
145.04968	8.5
156.97433	8.3
157.04987	13.0
159.02887	62.3
160.99641	8.5
169.03503	5.2
173.07733	7.2
173.85707	4.0
177.00975	40.3
178.01108	7.9
179.00711	63.4
187.04550	5.9
191.05505	7.1
195.11296	9.9
196.04704	3.9
198.07994	5.1
201.00343	6.3
203.07425	4.5
205.02287	25.1
208.09869	4.4
212.04158	19.8
213.05634	4.7
216.08960	7.4
219.01976	9.3
219.05008	36.1
221.01848	14.2
230.04965	8.2
231.00186	7.6
237.06082	4.3
244.06143	4.3
249.01268	100.0
254.05054	16.4
272.05820	6.9
273.02927	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.7
56.96568	1.1
60.08165	88.3
62.07500	0.6
65.03941	6.2
69.12655	2.9
69.13096	2.9
70.06584	1.5
79.05485	0.8
91.05486	8.8
93.03407	23.2
95.04970	1.1
96.40130	0.6
98.98457	10.5
103.05460	1.5
107.05004	1.3
110.03661	2.5
111.04444	23.4
112.99140	0.6
114.33699	0.7
117.03393	1.6
119.04939	5.6
121.06514	3.7
123.04411	0.7
125.05994	43.4
126.06316	0.9
134.03624	1.7
136.06201	1.5
149.05983	87.6
150.06354	1.3
151.07565	1.7
153.05464	100.0
154.05782	2.0
167.11880	0.9
177.01051	0.7
177.05452	6.7
195.06532	66.6
195.11253	4.7
196.06920	1.4
254.13849	40.7
254.15987	2.6
255.14191	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	1.3
58.42729	0.8
60.96057	0.8
61.62886	0.8
67.05493	1.4
69.07053	0.8
71.29271	1.0
79.05498	1.1
81.07024	1.0
82.22472	0.9
88.98914	0.9
91.05498	0.9
93.31608	0.8
95.08600	1.2
98.98469	23.8
100.98869	1.0
103.03902	1.0
103.05468	1.2
110.07136	1.0
123.05540	1.0
128.51633	0.8
131.04890	1.4
137.06021	1.0
151.07523	1.0
153.06972	1.1
160.07635	0.9
191.03529	2.0
220.05261	1.4
227.07065	1.7
242.69492	1.0
255.08429	100.0
256.08731	3.1
271.56897	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	5.5
57.03443	14.4
64.51204	1.5
69.03460	2.6
69.31346	11.3
75.04469	7.8
79.05465	3.0
79.89843	1.7
81.07070	3.0
83.04972	5.0
91.05480	20.4
93.07050	7.7
95.04968	3.0
95.08603	2.8
97.02969	2.0
97.06500	2.1
98.98461	18.6
99.04427	2.2
103.05471	48.1
104.05760	2.4
105.03372	1.9
105.07030	3.9
107.08631	3.6
109.06532	2.9
110.03664	12.7
110.06073	2.3
111.04406	2.8
113.09656	2.5
119.04934	18.9
120.17180	1.7
120.35453	1.9
121.06515	10.2
121.10163	2.8
122.03611	2.7
123.04424	40.9
123.08012	1.9
124.05247	9.1
124.97019	2.0
129.06924	1.6
131.04930	100.0
131.08578	2.0
132.05251	1.9
133.06482	2.4
135.04402	2.1
135.08067	5.2
137.05972	38.2
138.06767	23.8
147.04492	2.9
148.05185	3.9
149.05988	3.2
151.07538	12.6
163.07533	27.3
166.06258	32.4
179.07085	4.3
180.07768	3.3
181.08591	24.5
195.08101	3.6
197.06003	4.2
200.66034	1.8
201.16324	2.1
215.80052	2.0
219.10170	2.8
219.13765	1.7
219.17490	1.8
227.07028	2.0
235.35663	1.7
237.14801	4.9
255.06369	4.3
255.10149	3.2
277.65387	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49574	1.1
53.03925	1.6
55.01864	3.6
55.05513	1.5
57.03439	16.4
65.03938	1.5
67.05463	1.4
69.03435	1.8
69.22693	6.7
75.04483	6.2
79.05479	2.6
81.03425	1.6
81.07031	1.6
83.04984	7.9
85.02902	1.6
85.67794	1.1
91.05468	17.4
92.06266	1.4
93.07031	4.6
94.04218	1.2
95.04953	3.4
95.08607	1.3
97.02886	2.2
98.22643	1.9
98.98463	12.1
103.05459	49.8
105.03376	6.1
105.04521	1.0
105.07021	3.3
107.04961	3.0
107.08577	1.7
109.06523	4.8
110.03664	15.7
111.04430	3.5
115.05475	1.7
117.06995	2.1
119.04944	19.6
120.05730	2.9
121.02895	1.8
121.06500	10.0
122.03625	3.5
123.04418	40.4
124.05236	9.0
131.04919	100.0
132.05231	1.3
135.04407	1.5
135.08031	4.0
136.05202	1.8
137.05969	40.0
138.06758	30.5
147.04436	2.4
148.05170	3.4
149.06050	2.7
150.09113	1.4
151.07538	11.6
161.05933	1.9
163.07533	28.3
166.06253	31.8
175.07538	2.6
177.01833	5.1
179.07072	2.8
180.07863	1.6
181.08592	24.5
191.03386	2.0
192.10132	1.2
219.10327	1.3
220.09634	1.6
237.11269	1.3
237.18530	1.1
238.10674	2.5
255.06442	4.8
255.12195	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
53.03937	6.0
55.01864	3.7
55.05270	2.2
55.05511	27.5
57.03436	61.5
57.07070	3.9
57.81670	1.1
63.26028	1.4
65.03932	2.9
67.05506	83.7
69.03442	1.9
69.07069	22.0
71.01339	7.9
71.04995	9.5
72.78657	1.3
75.27187	1.2
79.05493	75.1
81.03428	9.3
81.07053	41.2
83.04978	18.4
83.08610	6.5
85.02870	1.7
85.06533	5.2
91.05480	25.0
93.07047	79.3
94.07388	1.3
95.04952	6.9
95.08606	10.6
97.06532	23.5
97.10162	18.6
98.22601	2.6
98.98447	7.0
99.04460	2.4
99.08090	3.3
105.04515	2.8
105.07059	4.4
107.04961	3.2
107.07851	2.6
107.08588	50.6
108.08887	1.3
109.06504	1.5
109.10156	10.8
111.08096	3.4
115.33614	1.3
117.07000	10.4
119.08574	12.3
121.06505	2.2
121.10136	12.1
121.58720	1.4
125.09599	2.8
130.07837	2.4
133.10127	7.5
135.08063	2.1
135.11690	100.0
136.11996	1.6
137.09660	3.3
143.08559	1.7
145.10097	16.8
153.12749	5.7
163.11142	12.3
167.08423	1.8
180.83160	1.3
181.12239	18.4
195.65959	1.4
200.49634	1.4
237.16647	1.9
239.08728	1.5
255.13803	1.7
255.15846	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1954
Annotation	Helepuberic acid
Peak:m/z	Relative Intensity
55.05508	43.8
57.07076	10.8
63.75476	5.3
67.05485	28.6
69.07071	59.8
69.29523	5.1
70.26137	4.6
70.62329	13.4
71.04988	11.0
73.31817	5.0
75.02991	4.8
79.05508	19.7
81.07056	100.0
83.04974	8.6
83.08619	23.7
85.06561	23.5
91.05483	12.6
93.07040	49.1
95.08608	58.4
97.06504	9.5
97.10165	10.7
98.98477	18.6
99.04482	7.4
105.07046	19.2
107.08605	61.7
109.06537	13.7
109.10156	54.8
111.08085	9.2
111.11731	14.0
112.32386	6.2
113.09649	12.3
119.08582	21.6
121.10159	60.7
123.08048	5.6
123.11697	61.7
127.07546	11.0
135.11653	31.4
135.74768	5.3
139.07552	6.7
139.11183	6.4
145.10088	10.2
151.11145	6.7
153.12753	6.7
157.10147	9.0
159.11668	8.8
161.13289	10.8
177.16385	49.0
179.14253	6.9
181.12201	6.7
191.17996	22.7
197.76767	6.3
201.16409	16.0
219.17462	21.0
237.18451	43.1
255.10179	18.1
255.13834	13.5
255.17348	7.0
255.19534	17.0
255.21542	6.8
271.43893	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1954
Annotation	Yingzhaosu B
Peak:m/z	Relative Intensity
50.36614	2.0
55.01871	1.9
55.05512	36.5
57.03441	5.0
57.07083	9.0
59.04994	4.9
65.03940	2.3
66.63136	1.6
67.05505	39.5
67.05842	3.6
69.03410	2.0
69.07072	45.7
71.04992	14.4
71.08643	3.3
71.30361	1.7
71.53168	1.7
79.05492	22.2
81.07056	100.0
83.04981	5.3
83.08620	28.3
83.09066	3.3
85.06528	16.5
85.10229	1.7
91.05481	18.1
93.07039	52.5
95.04980	3.7
95.08607	90.8
97.06539	11.6
97.10162	15.9
98.98466	14.8
99.04453	42.8
99.08093	9.5
101.06010	4.6
105.07037	25.2
107.08592	51.5
109.06519	6.7
109.10155	78.7
110.10511	2.7
111.08089	8.5
111.11722	2.8
117.05595	1.8
117.07039	3.6
119.08582	37.6
119.09418	2.0
121.06565	3.0
121.10147	76.3
123.08080	6.4
123.11708	87.8
125.09624	9.9
127.07545	10.4
127.11171	2.2
129.07039	2.6
131.08571	6.7
133.10120	16.5
135.07965	4.3
135.11696	26.6
137.09608	6.7
137.13263	7.4
139.07579	4.9
139.11200	4.1
143.08591	3.9
145.10123	13.0
147.11687	5.3
149.09627	4.1
149.13304	5.8
152.06264	2.1
152.37370	1.9
153.09058	4.2
153.12749	6.7
155.08560	2.0
155.10638	1.9
157.08687	2.3
157.10126	5.7
159.11697	24.3
161.13252	28.6
163.11157	12.5
167.08511	3.1
167.10690	5.4
171.11694	3.5
173.13287	4.8
175.14851	10.5
177.12796	5.4
177.16376	45.3
179.14365	11.7
181.12207	18.7
185.13297	3.3
191.14467	2.2
191.17976	9.7
199.14833	2.3
201.16385	29.2
201.18166	2.8
209.13348	1.9
219.17442	32.2
227.14413	2.7
231.17120	1.9
236.23796	2.2
237.18488	57.0
255.10208	4.7
255.13750	7.7
255.17313	4.6
255.19272	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1955
Annotation	9-Hydroxy-10,12-pentadecadienoic acid
Peak:m/z	Relative Intensity
50.12187	3.2
51.02355	2.8
55.05510	37.5
57.07077	14.1
60.81456	3.6
67.05502	34.2
69.07069	35.4
69.08819	19.4
69.09218	6.6
70.81113	3.7
71.05000	7.4
78.42107	3.1
79.05490	25.9
81.07057	100.0
83.08615	29.2
85.06538	20.8
91.05478	12.4
93.07050	63.9
95.08610	76.2
97.06533	16.0
97.10181	13.4
98.23515	3.7
98.98483	13.0
99.04459	8.7
99.08083	5.7
105.07001	19.7
107.08590	58.6
108.09116	3.6
109.06532	12.0
109.10158	47.1
111.08083	6.3
111.11735	5.6
113.09631	15.6
119.08575	20.6
121.06500	3.2
121.10137	58.9
123.11711	66.2
125.09650	4.7
127.07533	6.1
129.07088	4.8
131.08604	7.1
133.10123	10.8
135.08058	4.0
135.11710	29.1
137.13310	5.1
139.07516	5.4
139.11226	3.8
143.08572	10.8
145.10086	7.6
149.09674	3.2
149.13284	10.9
151.14764	4.5
153.09077	8.9
153.12730	7.3
155.08585	8.5
157.10187	9.8
159.11731	12.2
161.13272	10.8
163.11177	4.6
167.08578	4.0
167.10701	10.3
169.10130	9.6
171.11787	3.8
175.14833	7.8
177.12872	3.5
177.16386	53.9
179.14413	4.6
181.12213	8.8
182.10985	5.4
191.17915	23.0
195.11728	7.3
198.45027	3.2
199.11128	5.0
201.16432	12.5
209.13239	5.5
209.19019	4.2
211.14758	5.2
212.15599	3.7
213.16495	4.7
219.17488	26.3
237.16409	3.8
237.18495	35.3
239.08528	3.4
255.11574	13.1
255.13907	7.8
255.17421	23.2
255.19687	10.3
256.12473	5.2
259.97516	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1955
Annotation	Yingzhaosu B
Peak:m/z	Relative Intensity
53.03947	5.5
55.01865	5.5
55.05511	32.9
57.03437	4.9
57.07076	9.4
59.05008	12.7
67.05511	30.2
69.03414	8.6
69.07069	100.0
70.07372	2.0
71.04985	19.6
71.08630	2.7
71.28977	2.1
73.06550	3.3
75.04465	3.7
75.51237	1.9
79.05499	29.4
81.07057	86.1
83.04987	11.7
83.08613	11.6
85.06532	11.5
86.09695	3.6
91.05489	28.6
93.07044	62.0
95.04967	9.7
95.08607	58.7
95.09235	2.4
97.06538	26.0
97.10162	6.0
97.74769	2.4
98.98460	10.3
99.04433	2.7
99.08105	8.3
101.01137	2.0
101.06022	10.8
105.07033	46.1
105.85028	2.0
106.07374	2.0
107.04961	3.3
107.08600	57.2
109.06513	10.4
109.10154	49.2
111.08090	9.1
111.11716	36.5
113.06027	2.5
113.09568	2.1
115.05447	1.9
115.07568	4.6
117.07039	8.4
119.08582	25.8
121.06503	2.9
121.10145	63.7
123.08070	9.6
123.11707	17.6
125.06009	2.6
125.09626	6.6
127.07546	3.4
128.06242	3.4
129.07021	5.7
131.08568	13.1
133.07610	2.0
133.10123	76.4
134.10397	3.5
135.10687	2.1
135.11702	35.3
136.12001	2.1
137.09615	4.7
137.13271	11.6
139.11195	17.3
141.07051	3.8
143.08588	3.8
145.10112	24.5
147.11665	16.6
148.11971	1.9
149.05992	2.8
149.09601	3.1
149.13269	33.0
151.11192	25.0
151.14886	3.1
153.06924	4.6
155.08565	9.6
157.10129	7.9
159.11682	31.8
161.13268	15.1
163.11238	7.4
163.14848	4.4
165.07021	4.9
165.12767	2.8
167.08589	8.7
167.14333	5.6
169.10147	6.9
171.11603	10.8
173.13289	6.9
175.14838	7.2
177.16405	8.6
179.08522	3.5
179.14447	2.1
180.09355	3.4
181.10132	5.2
182.10933	2.0
183.11679	4.6
185.13341	2.8
189.16394	14.4
191.18069	5.0
194.10915	3.9
195.08109	7.6
195.11696	9.3
196.12497	2.1
199.11221	3.4
201.16393	18.8
207.17447	6.6
208.12560	4.3
209.13341	8.6
211.14836	7.9
219.13817	4.2
219.17471	20.9
223.07617	2.5
225.18500	3.5
227.10707	4.4
237.16508	16.2
237.18335	14.3
255.06393	3.0
255.10320	7.5
255.13818	6.6
255.17433	25.4
255.19635	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1956
Annotation	Yingzhaosu B
Peak:m/z	Relative Intensity
51.66869	2.9
53.03954	4.1
55.05510	45.4
57.03445	3.3
57.07079	17.2
59.05005	4.3
60.11234	3.4
66.41654	3.3
67.05504	44.3
69.03437	5.5
69.07075	42.6
71.04978	12.0
71.08621	4.4
71.30493	4.8
79.05482	29.8
81.07057	82.0
83.04976	15.6
83.08628	34.0
85.06535	20.9
91.05476	12.7
93.07051	75.0
95.04942	5.9
95.08604	69.7
97.06523	14.2
97.10169	26.5
98.98476	21.1
99.08095	9.2
105.07034	26.5
107.01769	3.2
107.08595	94.7
109.06526	12.0
109.10166	51.5
111.08083	11.0
111.11706	4.8
113.09676	7.7
115.07576	3.3
117.07038	6.2
119.08592	26.4
121.10146	100.0
121.11017	5.3
123.08105	6.2
123.11712	51.0
125.09634	4.7
127.07518	8.6
131.08562	9.5
133.10129	12.5
135.08061	5.1
135.11702	45.8
137.09586	6.6
137.13254	6.7
139.07527	17.1
139.11174	4.2
145.10091	18.6
146.46191	3.2
147.11728	9.6
149.09618	8.9
149.13245	12.8
151.11200	3.8
151.14882	4.1
153.09088	19.7
155.08546	8.1
155.10669	3.9
157.10106	6.7
159.11713	15.5
161.13264	18.5
163.11168	11.2
167.08551	5.0
167.10710	12.1
169.09988	5.0
171.11647	3.7
173.13255	6.7
175.14838	15.8
177.12868	5.2
177.16402	86.0
181.12224	22.9
185.09653	5.6
191.17970	19.3
197.13228	3.7
199.14832	5.4
201.16432	22.8
209.13206	4.6
219.17471	36.2
227.14339	4.7
237.18509	50.4
255.10043	7.4
255.13770	26.3
255.17368	8.1
255.19595	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.5
55.05511	4.1
57.03434	5.3
57.09541	1.5
59.05001	1.6
61.02911	1.9
63.68045	1.3
65.03948	8.0
67.05502	4.9
69.03423	3.2
69.62108	5.4
69.62520	3.1
72.30654	1.5
73.02915	3.3
76.56165	1.5
81.03419	4.4
82.99854	5.1
83.04995	7.6
85.02904	8.2
85.05822	1.6
87.04449	2.8
89.02391	2.1
93.03396	14.4
93.56432	1.6
94.06586	3.0
95.04983	12.1
97.01389	1.7
97.02894	3.7
100.02509	5.1
101.00890	49.1
101.02377	5.9
107.03432	1.9
108.27376	1.7
111.04436	5.9
113.00863	1.6
115.02440	8.2
115.03915	7.5
118.03532	2.0
119.01922	100.0
121.02876	39.0
121.03845	2.6
123.05583	3.1
124.05908	3.3
125.04510	1.9
129.01816	8.0
131.01898	4.9
133.03458	2.4
133.04996	1.6
137.02988	23.3
139.03934	4.4
141.03996	3.5
143.01935	1.5
143.03386	3.6
145.03430	2.0
151.02415	3.0
153.03958	9.2
153.05785	5.6
157.01338	5.3
159.05031	1.9
161.03127	3.2
161.04477	5.3
162.06334	2.0
167.01830	2.1
169.03485	11.0
171.01427	1.8
171.02824	2.5
171.05048	11.2
179.01939	4.8
183.05070	2.7
184.04553	1.9
187.04459	1.8
189.02480	2.8
189.03955	15.2
189.05647	2.3
193.03534	4.6
195.05045	10.5
197.02963	34.0
203.01930	6.6
203.05531	6.4
207.03354	1.8
211.04454	9.7
212.04005	2.1
213.06128	5.4
215.04030	12.5
218.74428	1.6
220.04634	3.3
221.02979	35.8
222.47557	1.6
229.05696	3.1
233.01491	5.9
233.05049	3.0
238.05609	4.1
239.03976	15.1
251.02512	11.0
256.03012	5.2
256.06763	4.7
257.05087	40.8
261.03110	4.3
274.03915	1.9
274.07764	2.1
275.06082	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.7
55.05503	8.0
57.03436	13.4
59.04981	3.5
61.02926	5.5
65.03940	7.9
66.32415	2.1
67.05517	5.3
69.03418	8.0
71.04996	3.4
71.34800	3.4
73.02914	10.2
78.18046	2.2
81.03404	6.7
82.99846	5.2
83.04984	7.8
84.13592	2.3
85.02905	18.5
87.04454	5.1
89.02363	3.9
91.38837	2.0
93.03398	14.3
94.06575	22.0
95.04967	16.0
97.01405	4.7
97.02879	11.4
101.00880	49.1
101.02383	13.5
107.03468	2.9
109.02894	2.8
111.02905	2.9
111.04456	6.8
115.02422	12.7
115.03941	9.9
117.03980	2.5
118.03535	5.4
119.01919	100.0
121.02867	39.9
123.05508	5.6
124.03920	4.9
124.05936	2.9
125.04511	4.1
127.03913	5.3
129.01846	13.7
131.01923	7.0
133.03459	6.2
133.04916	3.6
137.02951	21.8
139.02408	2.5
139.03894	4.7
143.01930	5.6
143.03387	9.0
145.03429	7.1
145.04974	4.8
149.06651	4.4
151.02461	5.2
151.78804	2.0
153.03976	8.7
153.05775	20.6
153.55838	3.7
155.01933	3.4
157.01353	10.9
157.03439	4.9
161.02950	7.5
161.04480	7.6
161.06578	4.1
162.06313	6.9
169.03470	12.2
171.01387	4.5
171.02802	3.4
171.05061	12.3
173.03015	3.8
177.01054	3.0
179.01924	5.5
183.05029	3.4
187.04575	4.3
189.02419	5.2
189.03969	21.9
192.04836	2.2
193.03571	3.2
195.05016	7.9
197.02951	28.6
201.06027	2.4
203.01955	7.7
203.05484	8.4
207.03555	2.2
211.04559	13.0
212.04015	3.4
213.06033	5.1
215.04004	16.6
219.01990	2.7
220.01935	2.7
220.04553	4.0
221.02965	33.7
233.01430	13.3
238.05583	8.4
239.03993	14.8
251.02563	19.4
256.03094	10.1
256.06714	6.3
257.05087	42.5
261.03098	6.9
274.04025	8.8
275.06253	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08581	0.3
51.18224	0.4
52.40087	0.3
53.03951	1.1
55.01878	0.5
55.05513	4.8
58.99865	0.7
60.18621	0.3
65.03939	10.3
66.05019	0.4
67.05506	3.4
68.98297	0.5
69.03435	0.6
70.06748	1.1
70.99889	0.4
81.03384	0.4
82.99827	3.8
83.04980	8.4
86.99322	0.8
91.27812	0.3
91.89733	0.4
93.03406	14.6
94.06578	0.4
95.04968	12.8
101.00878	42.1
102.00977	0.8
105.00362	0.7
107.03468	1.1
109.01398	0.7
111.04440	5.4
113.00880	1.5
119.01918	100.0
120.01997	3.0
121.02867	45.0
122.03201	0.6
123.05544	0.4
125.04451	1.4
125.07174	0.6
127.02420	0.8
131.01889	1.9
135.02893	0.5
137.02950	19.7
138.03041	0.5
139.02370	0.7
139.03894	5.4
141.04007	2.1
142.03543	0.7
145.03462	0.6
147.01396	0.5
147.05109	0.4
151.02400	2.7
153.03978	4.1
155.01892	1.2
157.03490	1.0
159.05014	0.7
161.00864	0.6
161.02943	0.6
165.03941	0.4
169.03500	6.7
171.05035	6.7
173.02985	0.9
175.02350	0.7
177.03984	0.7
179.01866	4.7
183.05009	2.7
185.02945	0.6
187.04524	1.2
189.06104	0.5
191.86629	0.4
193.03412	4.1
195.01431	0.8
195.05029	10.2
197.02953	19.2
198.03111	1.5
201.06134	0.6
202.86807	0.4
203.01888	9.1
204.02264	0.4
209.02983	1.4
211.04517	11.5
211.06448	0.7
212.04745	0.7
213.06088	4.3
215.03990	12.3
215.06042	0.8
216.04184	0.6
221.02946	35.1
222.03232	0.9
229.05595	2.6
233.05066	1.6
239.03993	16.7
240.04218	0.9
244.04485	0.5
257.05054	41.6
258.05258	1.6
275.06091	22.8
276.06241	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01866	0.5
55.05511	4.8
58.99863	0.7
65.03606	0.7
65.03942	11.2
67.05508	3.5
68.98282	0.3
69.03428	0.9
70.06586	1.4
71.30470	0.6
78.46206	0.3
82.99806	1.8
83.04981	8.5
86.09702	0.6
86.99303	0.7
93.03408	13.7
95.04971	11.6
101.00881	25.6
102.00982	0.5
104.10754	2.6
104.51229	0.3
105.00368	1.3
105.04498	0.5
107.03456	1.4
109.07604	0.4
110.07160	0.8
111.04444	5.7
113.00860	0.7
119.01921	100.0
120.01974	3.4
121.02872	43.9
121.03877	1.5
122.03211	0.6
123.01375	0.4
124.03941	1.0
125.00031	0.4
125.04420	2.9
127.02433	0.7
131.01889	1.2
137.02956	30.2
138.03017	0.8
139.02362	0.9
139.03925	4.6
141.03967	1.4
142.03513	1.4
145.03490	0.9
146.06671	0.4
147.01413	0.4
151.02426	1.5
153.03954	3.3
154.04146	0.4
155.01862	0.7
157.03516	0.9
159.05031	1.0
160.04625	0.4
165.02441	0.8
169.03482	7.3
169.09331	0.5
171.01331	0.4
171.05026	6.8
171.10898	0.7
172.05185	0.6
173.02997	0.8
175.02295	0.5
179.01900	2.1
183.05078	1.9
187.04503	1.3
193.03415	2.0
195.01337	1.2
195.05045	6.9
197.02957	19.9
197.07706	1.9
198.03137	1.1
201.06004	0.7
203.01892	5.8
209.01067	0.4
209.02946	0.9
211.04527	11.5
212.13898	0.6
213.06107	4.3
215.04012	12.7
215.06035	0.8
215.08434	2.4
216.04344	0.6
221.02957	33.9
222.03180	1.4
229.05553	3.6
233.05017	1.3
233.09932	0.4
234.06123	0.4
239.03989	12.9
239.09877	1.1
240.04128	0.8
244.04457	0.6
257.05060	39.3
257.18704	0.3
258.05273	1.7
258.14493	0.9
275.06116	23.5
276.06512	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.7
56.96564	1.5
58.99883	0.9
59.12202	1.1
59.12500	1.0
60.05656	7.3
63.28745	1.1
65.03931	6.1
67.05503	2.8
70.06591	55.0
70.12350	3.9
82.99878	2.9
83.00959	6.1
83.04988	5.0
93.03406	9.2
95.04972	8.5
97.07655	14.5
98.06062	1.2
98.84526	1.1
98.97570	6.0
101.00880	25.7
101.02009	4.1
102.00951	1.7
105.00364	1.2
111.04431	2.9
112.03574	8.1
116.05616	1.4
116.98650	4.5
117.34095	1.0
118.04660	3.6
119.01923	70.9
120.02039	2.4
121.02866	27.6
121.03854	1.7
125.04554	1.4
126.03986	0.9
127.07201	1.1
128.05550	2.2
130.04642	4.4
131.01950	1.9
132.06221	2.2
137.02962	18.5
138.05157	1.0
139.03934	2.5
140.06721	3.2
141.03955	1.3
142.08278	5.6
144.05051	1.8
145.03398	1.0
151.02376	1.7
152.06702	4.3
153.04039	2.4
153.05110	2.0
153.09879	1.3
154.08246	3.1
155.06660	7.7
156.05038	3.1
157.10857	2.5
158.07855	1.1
159.73141	1.0
160.09334	4.0
162.06166	1.1
168.06180	2.1
169.03465	4.1
169.09370	14.5
170.06647	7.6
170.07861	1.7
171.05040	3.2
171.06271	1.5
171.10913	25.3
172.09360	7.7
172.10652	1.2
173.07693	11.0
174.07820	1.2
177.00931	3.4
179.01906	1.7
179.06595	2.4
179.07993	1.5
180.05014	2.5
183.04990	1.4
186.07332	1.7
187.05673	2.2
187.10464	7.2
188.07683	1.8
189.11975	20.8
195.04996	5.3
197.02959	9.7
197.07686	100.0
198.06149	7.1
198.07877	3.7
203.01833	4.8
211.04556	8.1
213.06038	2.1
215.04269	7.7
215.08568	95.9
216.07188	5.1
216.08798	3.2
219.01907	2.0
221.02950	19.8
221.08765	1.5
222.03256	1.1
222.07347	1.1
229.05402	1.8
233.01282	1.6
233.10962	12.4
238.10477	1.9
239.04068	10.3
239.09880	45.5
250.97412	1.1
251.02365	1.5
257.05048	26.9
257.10928	28.4
257.13562	1.9
258.05316	1.1
258.11224	1.6
261.03058	4.8
274.97360	5.0
275.06177	11.2
275.11411	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
57.03445	5.5
67.05511	0.8
71.29556	0.9
75.04478	2.3
77.03921	0.8
79.05493	5.0
79.15611	0.6
81.07043	1.3
82.11347	0.7
88.14528	0.7
90.67262	0.6
91.05472	2.1
94.04195	1.2
95.04955	0.7
95.08614	0.8
98.97585	1.4
103.05429	3.2
105.07030	33.3
107.04950	2.1
109.06500	1.1
110.01959	0.6
115.05476	0.8
116.98591	1.5
117.07007	1.0
119.08588	0.8
122.02882	1.0
122.03635	4.7
124.05191	0.7
124.90836	0.7
126.93957	0.6
133.06491	46.5
134.06804	1.2
134.99648	0.7
135.04347	0.9
137.05980	100.0
138.06343	2.2
143.08560	1.0
150.06775	1.1
163.07541	2.9
165.07027	1.1
165.09109	22.4
166.09418	0.9
166.62813	0.7
172.63377	0.7
175.07513	3.2
175.11194	0.7
177.09108	0.8
180.07919	0.8
181.08611	1.9
183.08470	0.7
183.10123	3.2
194.91077	0.7
203.10692	0.7
221.11758	1.9
229.04977	0.7
229.08530	0.7
239.06944	1.2
257.04526	2.9
257.08118	2.5
258.05130	0.8
274.97546	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.3
56.76131	0.6
57.03438	7.1
61.62804	0.6
65.41450	0.6
69.06604	3.1
75.04484	2.3
79.05503	4.9
91.05480	1.6
94.04179	1.2
97.33888	0.6
103.05473	3.2
105.07037	32.2
106.07346	0.6
107.04941	2.3
109.06493	1.3
115.05457	1.2
117.07025	1.0
122.03667	5.8
127.30229	0.5
133.06497	47.0
133.87851	0.6
134.06812	0.7
135.08018	0.7
137.05984	100.0
138.06349	2.5
150.06728	0.7
151.07530	0.9
163.07555	3.5
165.09132	22.1
175.07516	3.2
175.11246	0.6
177.09151	1.0
181.08595	1.4
182.09344	0.7
183.10184	3.1
203.10719	1.5
209.11771	1.3
221.11707	2.1
235.35399	0.6
268.46033	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1535
Annotation	3,3-Bis(4-hydroxyphenyl)pentane
Peak:m/z	Relative Intensity
55.05498	1.0
61.33444	0.4
67.05498	1.1
69.07074	1.0
71.04970	0.6
79.04905	0.4
79.05477	1.4
79.81843	0.4
81.07038	1.5
83.04964	2.0
91.05479	3.2
93.07027	1.9
95.04974	0.5
95.08591	0.9
98.97575	1.0
103.11227	0.4
105.07030	3.4
107.08597	1.1
114.58771	0.4
115.05460	1.4
117.07030	1.0
119.08593	4.1
128.06203	6.3
129.07010	20.7
130.07642	0.4
131.08582	2.7
133.10143	1.0
141.06979	4.6
142.07782	29.3
143.08575	8.3
144.09354	4.6
145.06499	0.8
145.10092	1.4
151.07614	0.5
153.07045	0.6
154.07784	1.6
155.08549	6.6
156.09308	1.3
157.10124	100.0
157.97562	0.4
158.10431	3.0
159.08092	0.9
159.11638	0.8
163.07542	1.9
165.07089	0.9
167.08574	3.3
168.09291	0.9
169.07811	0.6
169.10126	15.3
170.10730	0.6
171.11693	1.5
173.13257	1.1
179.08565	1.6
181.06448	0.6
181.10114	4.9
182.10934	4.9
183.08090	0.6
183.11734	2.8
187.11185	1.4
187.86748	0.5
189.17747	0.5
196.12474	6.8
197.09615	3.5
197.13261	4.6
198.13702	0.5
201.09013	0.6
209.13306	0.5
211.14813	42.7
212.15276	2.2
213.16359	1.9
215.10678	1.7
227.08553	0.9
228.09364	0.8
229.10103	0.8
229.15839	1.4
229.39751	0.5
239.14307	2.7
241.10072	1.1
242.10878	2.3
242.12993	0.8
243.11705	0.7
257.10025	2.1
257.13211	6.0
257.15393	75.6
258.15979	2.5
274.97501	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1536
Annotation	3,3-Bis(4-hydroxyphenyl)pentane
Peak:m/z	Relative Intensity
51.67673	0.7
53.03972	1.0
55.01869	2.6
55.05501	3.0
56.96555	0.9
57.07059	0.9
59.05016	0.8
63.27627	0.7
63.87132	0.7
67.05500	3.0
69.02321	1.9
69.02722	6.8
69.03448	1.3
69.07055	3.2
75.87631	0.7
79.05490	6.0
81.03423	0.9
81.07063	10.7
83.04983	0.8
88.90955	0.7
91.05476	7.9
93.07044	6.3
95.04980	1.5
95.08596	4.0
97.06548	1.0
98.97575	6.1
102.76360	0.7
103.05461	2.4
105.07034	13.9
107.08600	6.4
109.06519	4.2
109.10158	2.3
111.08085	0.9
115.05474	2.3
116.98606	4.0
117.07021	5.6
119.08588	11.5
121.10117	2.2
127.07585	1.5
128.06227	5.8
129.06993	11.9
130.07745	1.1
131.04951	1.9
131.08572	34.6
133.06534	1.5
133.10138	4.1
134.99669	2.2
135.08057	1.0
141.06981	8.8
142.07785	8.7
143.08563	14.8
144.09366	2.7
145.06520	3.8
145.10117	7.3
147.08003	1.0
147.11667	1.5
149.05992	1.4
150.36586	0.9
150.92250	0.7
152.06261	0.9
153.01831	2.7
153.06998	4.4
154.07790	5.8
155.08549	21.1
156.09363	3.2
157.10127	31.8
158.10791	2.0
159.08057	1.9
159.11693	12.1
161.09579	1.0
161.13290	1.1
163.07579	6.3
165.07007	7.8
167.08562	6.0
168.09358	5.9
169.06480	2.2
169.10126	29.2
169.11522	1.7
170.10808	2.6
171.08084	1.9
171.11690	11.5
172.12416	1.9
173.09644	2.2
173.13261	35.6
174.13696	1.6
178.07867	1.0
179.08589	10.8
181.06482	6.3
181.10089	5.3
182.07318	2.7
182.10878	4.7
183.08070	17.6
183.11679	14.5
185.13232	3.0
187.07477	1.8
187.11160	2.4
189.09070	1.3
193.10115	5.6
195.08047	2.7
195.11700	1.0
196.08849	6.5
196.12486	5.8
197.09607	15.8
197.13264	9.0
199.14804	1.8
201.09088	6.1
201.12729	1.2
209.09630	0.8
211.11237	26.3
211.14792	32.5
212.11601	0.9
212.15298	1.4
213.16386	5.0
215.10648	6.9
221.13214	2.4
224.12000	1.4
229.12271	1.9
239.14287	10.6
239.18001	3.2
242.10829	2.0
257.04465	2.3
257.15372	100.0
257.18903	6.5
258.15701	2.9
274.97534	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05513	4.6
56.59220	1.5
56.96566	3.2
57.03408	2.2
57.07070	2.0
65.03916	2.8
67.05502	33.9
69.07068	10.5
70.13112	5.5
71.04985	6.5
79.05485	11.8
81.07053	32.6
85.06544	3.7
91.05476	16.2
93.07040	6.5
95.04961	3.2
95.08618	6.3
97.06496	3.0
98.97578	14.3
105.07034	13.2
107.08566	4.0
108.13770	1.5
109.10168	5.9
115.05449	7.1
116.06232	1.9
116.98628	8.0
117.07018	61.0
118.07374	1.7
119.08585	11.6
121.10159	3.0
128.06187	9.8
129.07005	51.3
130.07768	1.6
131.08563	65.8
132.08951	2.5
133.10132	16.9
134.99637	3.5
135.11716	2.2
135.27788	1.5
141.06972	27.9
142.07765	9.3
143.08556	23.3
144.09250	2.4
145.10118	20.0
147.07982	2.3
147.11700	5.1
153.00775	2.0
153.07043	2.4
154.07741	7.9
155.08556	35.6
156.09285	3.1
157.10106	23.2
157.66484	1.7
159.08070	3.5
159.11690	79.5
160.12022	1.9
161.13239	2.5
167.08577	6.5
168.09373	7.0
169.10129	31.9
171.11688	52.6
171.13094	3.5
173.09724	2.9
173.13260	57.3
175.11156	3.4
181.10114	4.5
182.10916	2.6
183.11687	70.2
184.12035	2.7
185.13216	11.0
187.11136	6.5
187.14842	2.2
195.11717	4.6
196.12473	4.6
197.13257	46.2
198.13869	2.6
199.14787	5.5
201.05347	2.3
201.12813	2.1
201.16359	1.8
210.14098	3.0
211.11223	1.7
211.14806	17.7
213.16357	5.4
215.17970	2.3
227.08472	2.3
239.10593	1.9
239.17931	100.0
240.18301	4.0
241.10045	2.9
242.10974	10.4
257.04391	4.2
257.07712	2.3
257.09540	2.4
257.13425	13.1
257.15515	6.7
257.18991	73.0
257.22498	4.4
258.13773	2.7
258.19315	2.9
274.97488	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
53.03936	1.0
55.05520	3.4
57.07069	3.0
59.05005	0.7
67.05501	5.0
69.07074	4.8
69.08090	1.8
69.08504	4.4
70.06596	1.7
71.04989	3.7
71.08625	1.8
72.08157	7.2
79.05502	5.0
81.07064	5.3
83.04978	3.1
83.08605	2.1
83.53857	0.7
83.82879	0.7
85.06532	4.4
88.07634	2.3
90.09184	4.8
91.05478	6.5
93.07041	8.3
95.04963	2.5
95.08609	9.7
97.06532	2.3
98.23382	1.6
98.39928	0.7
98.97560	1.4
99.08081	1.4
103.05471	1.0
105.07032	14.4
107.08604	11.0
109.06516	5.0
109.10155	8.0
111.08076	1.9
116.98595	1.1
117.07058	3.9
119.08596	16.6
121.06490	1.0
121.10152	34.7
122.10450	0.7
123.08107	1.7
123.11682	1.5
128.06218	3.4
129.07010	4.3
130.07796	1.3
131.08572	12.4
133.07617	0.8
133.10136	10.5
135.08052	8.6
135.11679	2.2
137.09596	5.4
141.06979	1.4
142.07794	5.4
143.08572	14.7
144.09332	3.1
145.10126	17.7
147.08078	1.6
147.11638	3.9
149.09581	3.6
151.11206	1.5
153.07008	1.1
155.08553	5.5
156.09341	4.7
157.10136	25.3
158.10928	6.8
159.08060	1.9
159.11696	29.0
160.12350	0.9
161.09602	2.8
161.13289	2.2
163.11125	3.7
167.08478	1.4
168.09312	3.2
169.10124	11.1
170.10905	2.1
171.11688	13.2
172.08929	1.5
172.12517	1.0
173.09637	2.7
173.13271	27.6
174.14001	4.4
175.11221	3.0
175.14865	3.4
177.12704	1.0
181.10156	0.9
182.10951	2.5
183.11713	13.1
184.12463	3.7
185.13211	3.5
187.11197	8.5
187.14828	6.0
188.11888	1.3
189.12688	2.7
195.11746	1.9
196.12404	1.5
197.09648	1.3
197.13269	10.5
198.13898	0.9
199.11090	0.9
199.14827	27.3
200.15340	1.0
201.12726	10.4
209.13257	2.2
210.13972	1.2
211.14821	2.6
213.16380	12.1
214.17073	4.1
215.14424	4.0
215.17970	10.1
224.15620	1.4
227.08533	1.0
229.09985	0.9
229.15924	1.3
239.17941	14.2
241.10118	1.0
242.10985	3.4
257.13364	7.1
257.19006	100.0
257.26620	10.3
258.13956	0.9
258.19409	2.8
258.27936	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96297	0.9
56.96566	12.4
70.50946	0.5
70.51284	1.0
71.95258	3.5
98.97585	100.0
99.97952	0.6
116.98623	73.0
119.01910	2.2
134.99658	36.6
136.32297	0.7
140.00183	1.3
153.00706	5.1
158.01291	1.2
177.00902	1.0
179.00645	1.6
192.94859	0.8
205.02289	1.8
210.95918	1.9
219.02029	2.5
221.01805	0.8
234.95877	1.1
234.99805	1.1
235.03435	0.6
236.98607	2.8
240.98607	3.9
252.96927	1.2
258.99762	47.0
260.00024	2.2
260.04617	0.6
261.03055	0.6
277.00809	59.5
278.00912	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99795	1.3
69.19091	11.4
82.07012	1.3
82.98451	1.6
84.08122	1.7
89.14406	1.3
98.97591	7.8
104.10828	1.6
112.31853	1.4
114.09137	1.7
116.98638	3.7
121.02832	1.8
121.28891	1.3
134.46512	1.4
149.02333	8.6
150.03104	1.7
157.06435	2.3
185.05997	2.1
213.05414	5.8
231.06512	7.9
241.04947	2.6
245.15424	1.4
258.99677	3.3
259.04150	100.0
260.04559	2.8
277.00717	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01870	3.1
55.05504	0.9
57.03435	4.2
59.04969	0.4
61.02931	1.9
61.22275	0.4
64.72588	0.4
65.03954	0.5
67.05493	0.7
69.03427	65.2
70.03765	0.8
71.01340	1.2
71.04996	2.2
73.02917	4.7
79.05496	1.4
81.03413	9.6
83.04972	1.6
85.02901	12.1
87.04465	0.6
88.84333	0.5
91.05453	0.9
93.07004	0.5
95.01320	0.9
95.04957	1.3
95.08619	0.4
97.02889	100.0
98.03220	1.1
98.23376	0.9
99.04438	4.4
101.02377	1.0
103.03942	0.5
103.05492	0.8
105.07035	0.6
107.04934	1.2
109.02185	0.6
109.02872	5.1
111.04420	1.5
113.02368	0.8
114.09137	0.6
115.03908	3.6
119.04923	0.7
120.04503	0.7
121.02844	1.4
121.06477	0.7
123.04459	2.1
125.02345	1.5
125.05956	0.5
126.88780	0.4
127.03910	13.3
129.06987	0.8
132.04367	0.4
133.04932	0.9
135.04388	1.6
137.02316	0.8
137.05901	0.5
139.03876	1.3
139.05429	0.6
141.06758	0.6
145.04936	2.8
149.02351	4.9
149.05919	0.8
150.03168	0.4
151.03914	1.1
153.05368	0.4
157.06422	1.0
161.05949	0.6
163.03879	2.3
169.04956	0.6
169.06381	0.4
181.04881	1.0
185.05946	1.3
193.04900	1.6
199.05952	0.8
211.06062	1.0
213.05415	2.3
213.08977	0.5
223.05890	1.2
228.97473	0.4
231.06447	4.6
241.04825	1.2
241.07045	2.2
259.05896	5.6
259.08170	1.2
259.11673	0.5
278.11349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40326	1.9
53.03937	4.6
55.01870	9.3
55.05497	6.4
57.03438	20.8
58.64460	2.0
59.04986	3.7
61.37740	1.9
64.73162	2.0
67.05503	8.6
69.03433	100.0
69.07066	17.4
71.01344	2.8
71.04983	4.4
71.30564	2.0
71.30971	3.1
79.05504	17.8
81.03421	17.5
81.07061	10.7
83.04987	3.5
85.02909	35.6
85.06551	3.4
87.04473	33.1
89.03930	4.5
89.20162	2.0
90.97292	1.9
91.05486	11.2
93.07043	9.7
95.04963	6.3
95.08604	10.9
97.02895	90.3
97.06537	67.0
97.10175	2.7
99.04465	17.7
101.02380	3.0
105.07027	13.9
107.04943	5.0
107.08593	7.4
107.25935	2.2
107.88864	2.3
109.02901	4.8
109.10162	4.6
111.04440	5.6
113.02339	3.1
115.03920	28.5
115.05432	2.4
115.14231	2.3
117.03378	6.7
117.06980	4.9
119.08569	14.0
121.10130	4.8
123.04446	10.0
123.11698	2.9
125.02380	3.1
127.03909	9.1
129.07033	3.2
131.08557	8.4
133.02882	2.5
133.04973	17.0
133.10121	18.3
135.04391	6.8
135.11681	2.6
137.05957	3.0
139.03940	4.6
139.05490	2.7
139.11105	2.1
143.08574	3.9
145.02841	5.7
145.04932	5.2
145.10115	6.9
147.11682	4.8
149.02330	6.4
151.03906	5.2
157.06493	4.2
157.10146	9.3
159.04398	3.7
159.11740	5.0
161.02365	8.5
161.04468	3.7
161.05943	2.3
161.13274	2.8
163.03896	40.4
163.05157	3.1
165.05441	2.2
169.04951	4.1
171.11702	5.2
173.02338	31.1
173.13350	2.3
175.04063	2.6
175.14830	47.1
178.09470	2.8
185.09604	3.7
185.13268	4.6
199.11177	4.3
200.20171	2.9
201.16339	4.4
203.10696	6.6
209.14819	2.3
213.05537	2.7
213.16458	6.0
215.07025	25.5
216.09242	3.5
217.05037	4.1
227.07004	9.5
229.10124	7.3
231.06485	3.3
241.15880	3.4
241.19395	3.0
244.12431	7.4
259.05542	2.9
259.09854	13.0
259.14780	8.1
259.16980	9.6
259.20584	8.0
259.24234	6.5
260.19934	3.9
260.22391	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	2.1
69.30805	4.9
70.06572	2.3
71.95251	0.9
82.99847	1.3
97.02898	0.8
97.07624	1.0
98.23430	0.8
98.97585	20.4
100.02199	4.7
101.00258	1.2
101.00880	14.5
105.07010	1.5
112.02463	3.5
115.05445	6.4
116.98628	10.6
117.05733	2.3
119.01926	28.0
120.01983	1.3
121.01678	2.5
121.02865	1.6
130.03508	21.1
130.06522	2.0
132.08115	6.0
133.06435	1.4
134.05989	1.8
134.30704	0.8
134.99686	3.5
137.02957	4.7
140.24896	0.7
142.06512	2.0
143.07246	0.9
144.94562	0.7
146.02740	5.5
146.06012	10.4
148.04536	3.4
148.07629	1.1
149.02310	1.0
157.07649	1.8
158.05995	2.9
159.06787	2.7
160.07584	51.3
161.07899	2.1
174.08846	0.8
175.08678	1.6
182.04390	0.9
188.05568	1.0
199.07368	3.8
200.05553	4.5
202.03511	3.1
204.05049	1.6
206.06667	6.6
213.07013	1.4
214.03600	0.8
215.04276	1.6
217.08337	4.8
217.63194	0.8
218.06618	36.6
219.06911	2.0
220.04538	13.5
221.05289	1.4
222.06047	1.0
224.07695	3.3
230.06599	2.1
231.06612	1.2
232.04543	3.0
233.05379	13.1
233.07629	1.5
234.05861	1.5
235.09277	2.6
236.07675	11.2
238.05647	1.0
242.06619	15.8
248.07687	10.2
251.06357	1.6
258.99783	8.0
259.09274	100.0
260.07599	47.5
261.07919	2.8
266.08829	3.2
277.00806	11.3
277.10352	61.2
278.08585	2.8
278.10989	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0964
Annotation	Rhapontigenin
Peak:m/z	Relative Intensity
53.03710	1.1
53.03946	14.9
55.01867	4.5
55.05501	1.0
57.03439	1.5
59.87363	0.7
63.99816	0.7
65.84511	0.6
66.03747	0.7
66.18659	0.8
67.05507	5.0
68.99773	1.0
69.03428	9.9
69.07066	1.6
70.82144	1.9
71.01353	17.7
79.05492	3.1
81.03401	2.8
83.04992	1.8
85.02888	2.1
91.05479	8.6
93.07051	5.8
95.04969	8.4
97.02892	11.1
97.06532	5.5
103.05464	1.6
104.06291	0.7
105.03409	1.2
105.07014	3.6
109.02876	32.9
115.04052	1.0
115.05450	8.7
117.06997	3.1
119.04937	0.8
119.08604	1.2
121.06491	5.7
123.04430	5.7
127.03882	2.2
128.06213	3.2
129.07013	4.0
131.04926	2.0
131.08551	2.6
132.05722	1.0
133.06502	5.0
135.04366	1.0
137.05942	5.5
141.06966	6.9
142.07753	1.4
143.04935	2.6
143.08597	4.8
145.06438	1.6
147.04446	4.2
149.02415	1.7
149.05992	6.6
150.06693	1.3
152.06160	4.0
153.06981	1.2
157.06491	3.6
157.10109	2.1
159.04414	1.3
159.08109	1.8
160.05194	32.9
161.05974	66.0
161.09654	1.4
162.06329	1.6
163.03897	3.4
163.07487	1.3
165.06990	1.2
166.07718	1.0
167.08548	7.0
169.06494	3.2
170.07179	0.9
171.08005	1.3
173.02333	2.6
173.05919	3.9
174.06775	2.5
175.03886	3.6
175.07530	2.0
177.06836	0.9
184.05183	3.2
185.05991	3.6
185.09624	3.8
187.07603	4.1
189.01859	1.6
189.05460	2.9
189.09094	55.5
195.08040	10.7
197.05988	1.7
198.06734	2.5
199.04013	0.8
199.07465	1.6
200.04659	1.2
201.05434	1.3
202.06224	1.0
203.03723	0.8
203.06973	1.9
203.10588	1.2
212.04698	1.4
213.05466	3.0
213.09111	11.8
215.07014	21.7
215.10550	1.7
217.05028	1.8
217.08598	15.5
217.10547	1.3
223.07506	1.4
226.06239	1.0
229.04935	2.0
230.05722	3.1
231.06409	1.5
231.10063	3.6
233.07993	2.2
241.08704	5.1
259.09653	100.0
260.09918	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0965
Annotation	Okicenone
Peak:m/z	Relative Intensity
53.03938	3.4
55.01873	15.0
55.02104	2.6
55.05508	2.6
57.03434	3.9
57.97683	1.5
65.03928	3.6
67.05495	6.7
68.99797	3.4
69.03430	9.5
69.07064	2.3
70.82065	3.4
70.82401	1.8
71.01355	9.3
74.09398	1.6
79.05498	3.3
81.03410	1.9
83.04987	4.6
85.02940	1.8
91.05499	5.1
93.07057	2.2
95.04977	11.5
97.02880	7.1
97.06545	10.9
99.04469	1.7
103.05433	2.1
103.09151	1.9
105.03364	2.1
105.07006	5.2
107.04937	1.9
109.02851	8.0
115.05438	12.8
117.07045	3.9
119.08561	2.2
121.02880	5.2
121.06483	2.4
123.04440	7.3
128.06184	8.4
129.07001	20.5
131.04915	2.7
131.08592	2.4
133.06516	2.3
135.04428	3.4
139.05455	4.8
141.06985	9.6
142.07803	11.3
143.04950	1.7
143.08571	8.8
144.05695	4.1
145.06476	4.0
147.04422	7.1
147.08046	2.5
149.02327	37.4
149.05963	3.5
152.06197	16.3
153.07007	2.6
155.04919	3.3
155.08624	2.6
156.05702	4.2
157.06479	18.7
157.10127	19.2
159.04369	3.9
159.08066	2.2
160.05217	15.2
161.02339	6.1
161.05977	41.7
163.03874	11.1
165.07007	10.0
166.07779	3.3
167.08565	29.7
168.05670	2.2
169.06505	7.0
169.10167	2.4
170.07231	8.3
171.04355	2.6
171.08098	6.1
173.02368	5.0
173.05959	12.5
174.06776	10.3
175.03912	12.4
175.07564	16.2
176.04663	3.4
177.05458	4.9
181.06494	4.5
183.04434	2.6
183.08092	3.8
184.05196	33.1
185.05971	31.8
185.07773	1.6
185.08083	2.7
185.09592	30.0
186.06786	2.3
187.03912	3.8
187.07532	10.2
189.01877	4.9
189.05501	9.5
189.09093	33.5
190.06284	3.4
195.08032	42.7
195.09688	2.8
197.06018	8.0
198.06807	10.6
199.07532	6.4
200.04675	7.6
201.05461	19.9
201.09038	13.6
202.06203	3.0
203.06969	8.1
203.10677	4.7
211.07573	5.1
212.04649	5.6
213.05624	13.6
213.09087	71.9
214.09421	3.4
215.06982	22.0
215.10466	2.4
217.05028	2.2
217.08620	12.6
223.07506	8.4
226.06175	11.3
229.05099	2.0
229.08597	11.7
230.05783	2.3
230.09445	2.5
231.06514	22.1
231.10100	21.7
232.06836	2.3
241.08606	42.4
259.06036	18.5
259.09671	100.0
260.09940	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27605	0.9
53.38591	0.9
55.01846	1.4
56.96560	1.2
59.24465	1.0
68.99787	1.3
71.30055	1.4
71.30424	1.3
84.08152	1.5
86.40497	0.9
98.97596	5.2
116.08943	1.0
116.98644	3.1
121.02876	2.1
123.04456	1.2
134.99579	1.1
141.06606	2.3
149.02325	14.6
150.03136	1.8
157.06555	2.4
160.07549	1.1
163.03993	1.3
175.05943	0.8
175.07549	2.0
185.05983	4.1
213.05412	6.1
217.07426	1.5
227.37349	0.9
231.06494	11.3
241.04959	3.5
241.09749	2.5
258.99771	1.6
259.06030	16.6
259.11530	100.0
260.06583	0.9
277.00732	1.6
278.11313	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1668
Annotation	O-1821
Peak:m/z	Relative Intensity
57.07071	0.8
72.08143	1.5
72.59719	0.4
73.08478	0.4
77.37936	0.4
82.76495	0.4
87.12857	0.5
90.06965	0.4
90.09190	1.6
93.07043	0.6
95.60275	0.4
105.07019	0.9
114.37028	0.6
119.08561	0.7
216.09315	0.6
226.85007	0.5
229.10075	1.3
243.11632	0.7
244.12398	1.0
258.27975	1.8
259.11288	2.5
259.16702	100.0
259.28244	6.3
260.17117	3.0
260.19278	0.5
273.02756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.3
67.05491	1.2
70.13129	1.1
79.05458	0.3
80.32108	0.3
81.07046	1.1
95.08594	1.4
112.61343	0.3
113.76187	0.3
115.05437	1.6
117.05715	0.4
117.07010	0.8
122.05985	0.7
130.06526	0.4
131.08571	0.4
132.08060	1.6
133.05237	0.4
142.06526	0.5
143.07349	0.7
144.05676	0.6
144.08086	0.5
145.06422	1.6
146.06001	7.3
147.06752	0.6
148.07570	1.1
149.02490	0.4
149.09576	0.3
149.69795	0.3
156.08067	0.7
158.06032	0.5
158.07256	0.8
159.06792	3.2
159.08067	0.9
160.07573	49.4
161.08003	1.2
168.08061	0.8
169.06491	0.4
170.06044	3.4
171.06760	2.6
172.07565	8.8
173.08344	2.4
174.09114	2.3
182.09663	1.2
183.10384	0.3
184.07576	17.6
185.08356	16.7
186.09131	12.7
187.09883	1.0
198.09152	5.3
199.09917	4.7
200.10677	4.7
212.10753	0.9
213.11496	1.1
213.15192	0.5
216.13902	0.6
227.13101	0.7
230.15392	16.3
240.13861	0.4
242.15388	100.0
243.15703	3.1
259.05963	0.6
259.09988	0.4
259.18045	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.1
57.07058	3.4
66.24470	2.2
67.05510	15.2
68.99768	2.4
69.07073	31.0
69.11588	22.4
71.04998	16.4
71.74910	2.2
79.05490	10.0
80.92690	2.3
81.07057	20.5
83.04989	4.3
83.08633	6.1
85.06543	19.4
91.05465	13.9
93.07060	12.6
95.04958	3.1
95.08611	19.8
97.06497	5.3
98.17345	2.2
101.40108	2.1
105.07033	29.6
107.08600	19.0
109.06534	8.2
109.10176	16.0
111.08080	7.3
115.05428	2.5
117.07014	7.8
119.08580	47.1
121.10130	12.5
123.08069	3.2
123.11717	21.7
128.06232	4.9
129.01848	9.9
129.06982	3.7
130.15671	2.4
131.08580	16.2
133.10147	34.5
135.08044	8.6
135.11688	8.2
137.09671	3.0
142.07820	3.7
143.08542	10.0
144.09300	4.5
145.10112	34.3
147.11703	20.5
156.09363	3.5
157.10106	13.6
158.10841	2.8
159.11687	29.6
160.12451	3.7
161.09604	2.4
161.13257	27.1
163.14874	2.3
164.49278	2.5
171.11626	12.6
173.13278	12.3
175.11234	3.0
175.14819	68.7
176.15472	3.9
177.12737	5.0
177.16370	3.3
185.13301	17.6
189.12692	4.8
189.16396	6.3
190.13562	2.9
199.14850	8.4
201.16373	29.8
202.07715	2.7
203.14345	10.1
215.08575	3.5
217.10165	3.2
217.19681	2.4
218.11026	2.4
229.10126	15.0
230.10791	4.1
231.11664	2.8
241.19487	19.4
243.11649	3.9
244.12408	13.6
245.13252	2.2
259.11206	6.7
259.14767	35.5
259.17282	5.7
259.20584	100.0
260.15283	4.2
260.20844	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05513	9.6
57.07078	1.7
57.38976	1.2
59.04988	1.3
66.81552	1.0
67.05502	7.9
69.03444	1.1
69.07072	25.6
71.04998	17.9
71.05380	2.0
79.05492	4.6
81.07064	16.2
83.04983	3.0
83.08633	7.2
85.06545	15.9
91.05478	9.2
93.07047	11.0
94.45724	1.0
95.04962	2.7
95.08607	17.3
97.06533	3.3
97.10176	2.4
98.22971	6.7
99.08099	1.5
105.07036	19.8
107.08600	15.8
109.06519	5.1
109.10162	12.3
111.08080	6.0
115.05426	1.3
117.07013	5.0
119.08588	43.7
121.10139	10.9
123.08086	2.0
123.11710	19.3
129.07011	2.3
130.07802	2.3
131.08575	12.3
133.10138	29.6
135.08078	7.8
135.11707	4.8
137.09625	3.0
142.07787	1.3
143.08569	7.6
144.09389	1.2
145.10121	28.4
147.08066	1.6
147.11684	16.0
149.09596	2.6
151.11215	2.2
156.09335	3.0
157.10135	11.3
159.11700	28.3
160.12413	3.8
161.09642	1.4
161.13258	28.8
163.11195	2.2
163.14886	1.4
170.10916	1.9
171.11703	12.4
173.13278	9.2
175.11272	3.0
175.14828	70.9
176.15556	4.6
177.12743	5.6
177.16380	3.3
185.13257	12.1
187.14868	1.8
189.12769	3.9
189.16380	5.7
190.13559	1.7
191.14294	1.5
196.12163	1.2
199.14856	3.2
201.16391	23.8
203.14322	8.9
215.18037	5.3
217.19495	4.1
241.19484	16.3
259.20578	100.0
260.20923	4.1
266.12418	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0307
Annotation	Cyclophosphamide
Peak:m/z	Relative Intensity
53.03935	0.5
53.23880	0.4
56.96563	0.6
58.26331	0.4
62.10374	0.4
65.99953	0.5
70.09901	1.0
70.10294	1.1
71.04971	0.5
72.08128	0.5
83.04975	0.4
84.08140	0.7
85.02899	1.8
85.41304	0.4
91.12341	0.4
98.97591	3.5
99.04453	0.7
100.97189	0.5
101.00891	5.1
102.01765	0.6
102.76357	0.4
106.30748	0.5
116.98627	2.2
119.01920	7.1
120.68464	0.4
121.01678	0.6
130.08589	0.5
134.99789	0.6
135.03220	0.5
136.05521	0.4
137.02945	0.9
146.76672	0.5
148.02255	0.7
158.99844	2.4
159.04977	0.5
161.02878	0.6
175.03090	0.5
175.28596	0.4
177.00949	13.1
178.01010	0.9
198.51350	0.4
201.00919	2.9
217.04034	2.7
219.02003	20.1
219.04147	1.0
220.02191	1.3
225.00986	1.7
229.03191	1.2
238.98256	0.5
243.01978	9.8
244.02118	0.7
256.06619	0.6
261.03064	100.0
262.03192	7.6
279.00613	1.9
284.04648	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52946	0.4
55.07254	0.4
58.45494	0.4
59.87384	0.4
71.28008	0.5
73.93781	0.5
79.05565	0.5
82.99870	0.5
84.08157	0.8
86.09705	1.2
87.06203	0.4
90.84540	0.4
98.97585	3.2
99.80810	0.4
101.00880	6.0
101.55834	0.4
103.00657	0.5
113.00878	0.5
115.02441	0.9
116.98646	1.6
119.01933	6.9
121.01686	1.5
130.97165	0.4
131.01913	1.2
133.03481	0.9
134.99716	0.6
135.03181	0.8
136.88721	0.4
137.02922	0.6
140.98851	1.0
145.03622	0.6
149.02919	0.4
153.04173	0.5
155.01930	0.9
155.36186	0.4
157.03473	0.6
158.99890	3.2
161.02946	1.0
163.02779	0.5
169.01105	1.0
171.05042	0.5
173.03040	0.6
177.00946	12.9
178.01041	1.0
182.99945	0.9
189.02495	0.5
189.06160	0.7
197.02992	0.7
200.02722	0.5
201.00890	2.9
203.04076	0.8
217.04002	2.3
219.01988	20.7
220.02180	1.4
221.05011	2.5
225.01001	1.7
229.03223	5.0
237.02849	1.0
238.05649	0.6
243.02029	10.6
243.04715	1.1
244.02226	0.4
261.03101	100.0
261.05829	24.1
261.09320	7.1
262.03232	6.8
279.00836	1.4
284.04752	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.9
55.05523	6.0
56.05019	2.0
57.07076	2.3
59.04996	1.9
63.06661	0.8
65.03936	2.1
66.93037	1.1
67.05504	19.6
69.07075	7.3
69.87433	3.8
70.71360	0.9
71.04973	5.2
73.06535	1.7
74.06062	1.7
77.03935	1.2
77.08144	1.0
79.05492	10.8
81.03401	6.0
81.07065	6.9
85.06546	5.8
88.07635	6.0
91.05483	40.4
93.07046	7.9
95.04978	3.3
95.08608	74.2
98.23394	1.0
99.08103	6.4
103.05463	2.2
105.03371	1.0
105.07030	46.9
106.07339	0.9
107.04951	7.2
107.08601	3.5
113.06005	8.1
115.05458	3.0
116.06271	1.0
117.02780	1.0
117.07020	32.2
119.08569	5.7
120.09393	1.1
121.05615	1.3
121.06502	13.1
121.80753	1.0
123.08093	5.4
128.06224	3.3
129.07054	2.1
130.07765	2.5
131.08571	21.1
133.10115	1.2
141.07047	2.0
143.08566	16.6
145.10123	100.0
146.10471	3.4
147.08026	3.0
155.08557	2.4
155.10652	1.7
159.08092	1.7
159.11624	1.0
163.07458	1.5
163.31648	1.0
168.09329	1.3
173.09552	1.1
173.13287	6.4
183.11746	5.3
185.28987	1.0
201.12842	5.1
214.21655	7.0
223.63278	1.1
261.12640	1.1
262.23773	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.03955	0.8
51.02375	1.1
53.03947	4.7
55.01869	1.3
55.05515	16.3
57.03418	1.2
57.07080	4.7
59.07874	1.0
65.03957	1.2
67.05508	46.5
69.07066	14.0
69.26835	2.9
69.27260	3.4
71.04990	2.2
71.08627	1.0
77.03915	1.5
79.05497	64.7
80.05813	1.2
81.07059	49.4
83.04974	1.0
83.08619	7.5
85.02790	0.9
85.06551	2.6
91.05482	30.2
93.07049	82.5
95.04961	4.0
95.08616	38.5
97.06532	3.7
97.10165	2.0
99.08091	2.9
105.04504	1.5
105.07040	21.5
107.08598	55.6
109.06505	2.8
109.10155	13.8
111.08091	2.5
117.07016	7.9
119.08594	17.8
121.10149	45.1
123.08014	1.3
123.11739	4.3
130.45305	1.1
131.08569	14.5
133.09215	1.3
133.10146	14.7
135.08087	1.3
135.11697	39.6
136.11998	1.4
137.09599	2.2
137.13249	2.2
144.26100	0.9
145.10132	13.1
147.11696	11.0
149.09555	1.1
149.13264	28.2
151.14886	1.1
157.10097	3.4
159.11694	12.7
161.13290	11.7
163.14828	18.8
165.12761	1.0
172.63106	1.0
173.13261	9.8
175.14804	4.6
177.16403	3.7
183.11693	1.0
187.14845	8.0
189.16068	1.0
201.16394	2.2
203.08600	1.5
204.09195	1.0
205.15912	1.5
215.17984	1.2
217.10152	1.2
218.07300	1.4
219.11797	1.8
231.11737	2.6
243.21089	28.7
246.10458	1.6
246.14063	2.4
261.09091	2.8
261.12665	2.9
261.16559	8.2
261.22147	100.0
262.22504	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02374	0.9
53.03952	3.7
55.01870	1.0
55.05509	14.1
57.03423	1.3
57.07077	4.0
59.08324	0.8
59.49428	0.8
63.72668	0.7
64.73477	0.7
65.03936	1.9
67.05504	41.8
69.06600	5.8
69.07056	12.6
71.04979	2.4
71.08633	1.2
77.03912	1.3
79.05492	56.0
80.05882	0.7
81.07054	46.2
83.04979	0.9
83.08616	7.7
85.06554	3.3
91.05477	31.5
92.05798	0.7
93.07042	78.3
94.07348	0.9
95.04969	3.8
95.08604	35.7
97.06532	2.5
97.10166	2.9
99.08091	2.7
105.04507	1.4
105.07028	19.9
107.08590	49.0
109.06502	2.2
109.10159	14.4
111.08052	2.4
113.09654	1.0
117.07014	7.9
119.08572	15.6
121.10140	38.6
123.08028	0.9
123.11712	5.6
125.09602	0.8
131.08565	14.9
133.10126	12.2
135.11685	32.4
136.11971	1.0
137.09630	1.3
137.13252	1.8
139.11176	0.8
143.08650	0.8
145.10124	15.8
147.11684	10.5
149.09630	0.7
149.13249	28.0
150.13562	0.8
151.11142	1.1
152.06433	0.7
153.12744	1.2
159.11685	9.5
161.13266	11.2
163.14816	18.9
165.12753	1.1
173.13248	9.5
175.14812	3.5
176.06248	1.1
177.07002	1.1
177.16385	5.2
179.14322	1.5
179.95905	0.8
185.13232	0.8
187.14793	6.6
189.06992	2.1
189.16357	1.4
190.07672	0.7
191.14334	0.6
201.16309	3.4
205.06506	1.8
205.15924	0.8
215.08469	0.6
215.17999	2.1
218.07257	2.9
233.06056	1.9
233.09592	2.7
243.21059	28.8
244.21515	0.8
246.06786	1.2
261.05432	3.1
261.09128	9.6
261.22125	100.0
262.06207	4.3
262.09732	2.1
262.22516	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
53.03949	2.7
55.01868	1.1
55.05510	13.7
57.03435	1.4
57.07071	4.6
65.03940	1.6
67.05505	43.3
69.07072	12.7
71.04995	2.2
71.08612	1.7
71.31303	1.0
77.03919	1.0
79.05492	60.2
80.05830	0.9
81.07056	49.6
82.07397	0.6
83.04987	1.2
83.08617	7.9
85.06551	3.4
86.33175	0.4
88.71372	0.4
91.05477	30.9
93.07043	80.9
93.75160	0.5
93.75803	0.5
94.07368	1.0
95.04966	3.8
95.08606	33.0
96.08968	0.8
97.06551	2.8
97.10149	2.8
99.08072	2.8
105.04529	2.5
105.07028	20.4
107.04916	0.6
107.08595	55.2
108.08876	0.8
109.06492	2.3
109.10151	15.3
111.08078	2.0
113.09660	1.3
117.07025	6.8
119.08585	15.1
121.10141	41.3
123.08070	2.2
123.11710	4.7
125.09602	1.4
131.08569	14.5
133.10135	12.1
135.08041	0.6
135.11693	35.0
136.12007	0.5
137.09584	1.3
145.10120	13.6
146.20012	0.5
147.11694	11.2
149.09714	1.2
149.13258	26.5
150.13635	0.9
151.11234	1.3
151.14815	1.1
157.10045	0.6
159.11687	10.1
161.13260	11.5
163.11203	0.8
163.14821	15.9
165.12773	1.0
173.13255	10.1
175.14833	4.9
177.12723	1.0
177.16385	4.5
179.14297	1.6
187.14789	6.3
189.16298	0.6
190.07898	0.6
191.14377	0.8
193.15913	0.5
201.16382	2.9
203.17931	0.7
205.15913	1.2
215.08405	0.7
215.18008	1.7
217.19714	0.7
218.07419	0.9
219.17508	1.0
233.09508	1.0
233.22658	1.5
241.96428	0.6
243.21080	27.9
244.21393	1.4
261.09241	4.7
261.22134	100.0
262.05896	0.6
262.09860	1.1
262.22415	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.7
51.33855	0.4
53.03944	3.0
53.89741	0.3
54.52808	0.3
55.01879	1.0
55.05508	14.7
57.03436	1.2
57.07071	3.7
59.05013	0.4
62.34159	0.3
65.03939	2.0
67.05502	44.8
69.07066	11.0
69.07354	0.3
71.04993	2.7
71.08637	1.3
71.31552	0.7
71.58957	0.3
77.03934	1.1
79.05489	64.8
80.05817	0.7
81.03415	0.5
81.07052	51.0
82.07385	0.7
83.04990	0.9
83.08612	7.6
85.06537	3.3
85.10190	0.7
91.05474	29.9
92.05798	0.4
93.07039	78.8
94.07372	1.1
95.04967	4.7
95.08601	37.1
96.08932	0.5
97.06523	3.2
97.10166	2.2
99.08102	3.5
103.05486	0.8
105.04515	1.4
105.07022	18.9
107.08587	50.9
108.08931	0.7
109.06532	1.8
109.10151	14.9
111.08081	3.1
111.11775	0.4
112.58131	0.4
113.09660	1.4
117.07017	7.3
119.06097	0.7
119.08574	15.4
121.10138	42.1
122.10445	0.7
123.08051	1.7
123.11687	4.7
125.09618	1.1
130.07758	0.5
131.08562	15.6
133.10124	12.7
135.11684	36.4
136.12036	0.8
137.09622	1.8
137.13231	1.4
139.11215	0.7
143.08618	0.5
145.10114	15.4
147.11685	11.4
149.09625	0.9
149.13249	27.7
150.13577	0.6
150.75441	0.4
151.11189	2.1
151.14818	0.9
153.12767	1.0
159.11682	10.3
160.12022	0.4
161.13251	12.7
163.11183	1.0
163.14810	17.7
165.12772	1.3
171.11662	0.4
173.13258	10.6
175.14803	4.2
177.16359	4.2
179.14336	2.0
187.14812	6.7
189.16328	0.6
191.14345	1.0
193.16034	0.5
201.16347	3.1
205.15865	0.9
211.38608	0.4
215.18015	1.5
219.17445	0.8
230.89110	0.4
231.11676	0.7
233.05923	0.4
233.22610	1.8
243.21059	28.5
244.21486	1.3
246.10159	0.6
246.14038	0.4
261.05521	1.1
261.12958	2.6
261.22122	100.0
262.22430	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
53.03949	2.7
55.01868	1.1
55.05510	13.7
57.03435	1.4
57.07071	4.6
65.03940	1.6
67.05505	43.3
69.07072	12.7
71.04995	2.2
71.08612	1.7
71.31303	1.0
77.03919	1.0
79.05492	60.2
80.05830	0.9
81.07056	49.6
82.07397	0.6
83.04987	1.2
83.08617	7.9
85.06551	3.4
86.33175	0.4
88.71372	0.4
91.05477	30.9
93.07043	80.9
93.75160	0.5
93.75803	0.5
94.07368	1.0
95.04966	3.8
95.08606	33.0
96.08968	0.8
97.06551	2.8
97.10149	2.8
99.08072	2.8
105.04529	2.5
105.07028	20.4
107.04916	0.6
107.08595	55.2
108.08876	0.8
109.06492	2.3
109.10151	15.3
111.08078	2.0
113.09660	1.3
117.07025	6.8
119.08585	15.1
121.10141	41.3
123.08070	2.2
123.11710	4.7
125.09602	1.4
131.08569	14.5
133.10135	12.1
135.08041	0.6
135.11693	35.0
136.12007	0.5
137.09584	1.3
145.10120	13.6
146.20012	0.5
147.11694	11.2
149.09714	1.2
149.13258	26.5
150.13635	0.9
151.11234	1.3
151.14815	1.1
157.10045	0.6
159.11687	10.1
161.13260	11.5
163.11203	0.8
163.14821	15.9
165.12773	1.0
173.13255	10.1
175.14833	4.9
177.12723	1.0
177.16385	4.5
179.14297	1.6
187.14789	6.3
189.16298	0.6
190.07898	0.6
191.14377	0.8
193.15913	0.5
201.16382	2.9
203.17931	0.7
205.15913	1.2
215.08405	0.7
215.18008	1.7
217.19714	0.7
218.07419	0.9
219.17508	1.0
233.09508	1.0
233.22658	1.5
241.96428	0.6
243.21080	27.9
244.21393	1.4
261.09241	4.7
261.22134	100.0
262.05896	0.6
262.09860	1.1
262.22415	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1187
Annotation	7360-09-0
Peak:m/z	Relative Intensity
55.05532	0.5
71.30392	0.8
75.05598	1.2
85.04028	16.2
88.03995	0.7
95.66037	0.5
114.45377	0.6
115.05465	1.9
117.05743	1.3
117.07025	1.1
118.06547	15.7
120.17806	0.5
123.08025	1.0
130.06531	25.3
132.08087	41.5
133.08444	0.5
135.08037	1.3
136.06290	0.5
142.06497	3.0
143.07289	1.8
144.08093	15.2
145.06058	0.7
145.57011	0.5
146.06009	60.8
147.06337	1.8
152.04198	0.5
154.06499	1.6
155.06117	0.7
158.08411	2.3
159.07924	1.3
159.09177	15.6
160.07678	1.4
165.09128	1.0
169.07640	2.6
170.06007	13.3
171.09167	5.8
174.17763	0.5
181.07631	2.3
187.08684	6.9
188.07068	100.0
189.07414	3.2
198.10225	2.5
199.08698	2.5
205.09729	29.0
216.11324	19.7
217.11665	0.7
244.10815	7.5
245.08810	0.5
262.11893	8.8
263.12851	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1186
Annotation	Glycyltryptophan
Peak:m/z	Relative Intensity
52.74205	0.5
54.16793	0.5
58.17439	0.5
67.05502	0.5
69.03450	0.5
69.82343	1.6
75.05585	1.4
78.04121	0.4
79.05528	0.6
85.02914	0.6
85.04025	16.5
88.03985	0.7
91.05485	1.0
92.54750	0.5
94.01241	0.4
97.06549	0.5
98.70252	0.5
105.07045	0.7
115.05440	1.8
117.05752	1.4
117.07042	1.1
118.06541	15.0
121.06477	0.5
123.04444	0.7
123.05531	0.8
123.08052	3.2
130.06523	24.9
132.08087	38.6
133.08403	1.1
135.08041	0.8
142.06528	3.7
143.07286	2.3
144.08090	13.5
145.06145	1.0
146.06001	56.9
147.06328	1.5
147.15683	0.5
152.04214	1.1
154.06493	1.4
158.08423	1.6
159.07932	1.0
159.09174	13.7
160.07570	0.7
165.09094	3.2
169.07660	1.5
170.06023	11.4
171.09178	5.2
181.07594	2.2
187.07233	0.7
187.08702	6.4
188.07060	100.0
189.07436	3.4
198.10248	2.1
199.08633	2.2
199.11256	0.5
205.09732	30.8
206.10048	0.7
216.11319	19.6
217.11790	0.8
227.08101	0.6
244.10840	9.1
262.07709	0.7
262.11917	10.8
263.12665	1.3
267.72122	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91148	0.9
53.03929	1.6
54.10588	1.0
55.05515	6.5
56.05023	2.5
57.01553	0.9
57.07077	2.5
58.02962	8.3
58.06601	5.6
60.04508	2.2
67.05502	14.1
68.05012	1.2
69.07057	10.4
70.06600	7.8
70.20421	1.8
70.20774	2.9
72.08142	1.7
74.06065	3.2
79.05491	13.9
81.03430	1.4
81.07056	21.8
82.06568	1.9
83.08607	4.4
84.03212	1.0
84.08138	3.3
86.06063	41.6
88.92866	1.0
91.05486	12.0
93.07046	22.0
94.06577	2.2
95.04980	2.7
95.08604	29.3
96.08118	3.8
97.10174	1.3
98.06036	2.2
99.20492	1.0
105.06380	1.4
105.07034	17.4
107.08595	18.7
108.08103	7.6
109.06532	1.9
109.08943	1.4
109.10159	16.0
110.06068	6.7
110.09650	2.0
112.07630	2.2
117.06987	3.4
119.08582	18.8
120.08149	1.3
121.10143	18.5
122.09659	3.6
123.08031	1.3
123.11697	4.9
124.07592	1.0
129.06976	2.1
130.07780	1.7
131.08582	5.9
133.10130	11.5
134.09634	2.2
135.08032	1.8
135.11679	8.9
136.11215	5.0
136.12172	1.1
137.13147	1.7
143.08563	6.2
145.10118	14.8
147.11681	12.8
148.11215	1.8
149.13321	5.0
156.09386	1.8
157.10138	3.1
159.11688	5.6
161.09532	1.7
161.13190	6.0
162.12756	1.4
163.14780	1.5
164.14406	1.4
171.11707	6.7
173.13316	2.5
175.14786	2.8
176.19832	1.0
177.16464	1.2
185.13237	3.4
187.14821	4.6
188.14247	1.4
189.12811	2.5
189.16425	2.2
201.16318	2.4
203.17946	6.6
204.17416	1.6
205.18141	1.2
206.15359	2.0
215.17845	1.2
220.20576	2.7
227.17928	4.2
232.20580	3.6
234.22148	4.3
244.20618	4.6
245.19125	2.8
262.21661	100.0
263.22034	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2165
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
52.85958	0.7
54.14142	0.8
55.05516	1.7
57.07077	1.0
58.06593	2.2
60.04513	2.7
61.58989	0.7
67.05508	4.2
69.07050	2.6
70.06577	2.2
71.05014	0.9
71.29882	0.8
71.30284	1.2
73.68263	0.6
79.05469	3.1
81.07043	5.9
81.77272	0.7
82.06583	1.2
83.08600	1.8
84.70666	0.7
91.05468	3.0
93.07025	6.1
94.06577	1.4
95.08598	7.6
96.08100	1.7
104.56514	0.7
105.07030	10.0
107.08594	7.7
108.08120	3.6
109.10144	3.1
110.06030	1.1
110.09666	3.4
117.07011	0.8
119.08599	8.1
120.08064	0.8
121.10146	5.4
122.09660	4.4
123.11726	2.0
131.08556	1.6
133.10124	7.1
134.09654	0.8
135.11681	2.4
136.11235	2.5
138.12756	1.4
143.08521	1.3
145.10101	4.1
147.11678	10.4
148.11243	0.7
150.12766	3.3
157.10136	1.7
159.11674	2.4
161.12088	0.9
161.13159	3.8
162.12843	0.8
164.14317	2.0
171.11629	1.5
175.14755	1.1
176.14320	0.9
185.13286	1.4
187.14792	2.5
202.16052	0.8
203.17952	13.7
227.17966	1.9
244.20598	3.0
262.21649	100.0
263.22070	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2166
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
51.04362	1.3
55.05510	3.1
57.07063	4.0
58.02965	23.8
58.06594	5.2
59.16468	1.5
60.04527	22.8
67.05503	3.3
69.07071	8.6
70.06607	2.0
70.18295	2.3
70.18653	3.6
79.05462	4.5
81.07065	16.8
84.70242	1.8
89.46572	1.3
91.05465	5.6
93.07040	12.0
95.04904	1.6
95.08594	13.5
97.06553	1.7
97.10170	1.6
105.07034	46.8
107.08605	9.8
109.06522	5.3
109.10161	15.0
113.04060	1.7
117.07023	2.7
119.08582	70.6
121.06482	4.6
121.10145	22.2
123.11696	6.4
123.63010	1.4
131.08560	5.3
133.10126	15.5
135.11707	5.9
143.08582	2.1
145.10114	3.1
147.11713	17.6
149.13255	6.8
157.10088	3.1
159.11775	3.2
161.09668	3.7
161.13269	5.5
171.11757	2.3
175.14848	2.2
187.14777	4.4
199.90511	1.6
203.17955	35.5
204.18224	2.1
205.19527	6.2
227.18004	2.9
244.20660	2.0
245.19002	7.4
262.18118	8.8
262.21664	100.0
263.21866	3.4
278.00198	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2167
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
52.05245	0.8
55.05500	2.4
57.07077	1.0
57.46962	0.7
58.02964	13.4
58.06606	1.6
60.04523	2.0
67.05500	2.7
69.07072	5.9
69.17151	1.9
69.17571	5.0
69.44164	0.7
70.06624	0.8
79.05492	4.0
81.07056	16.2
82.60141	0.8
83.08615	2.1
91.05483	2.9
93.07043	8.3
95.04987	1.8
95.08611	7.7
97.10179	1.0
105.07034	10.9
107.08604	8.2
108.08125	2.2
108.24574	0.7
109.10162	5.8
117.07037	0.8
119.08591	9.5
119.84399	0.6
120.08081	0.7
121.06466	1.1
121.10123	8.5
123.11707	2.1
129.07063	0.8
129.84081	0.9
131.08545	2.7
133.10123	7.2
135.11693	5.9
142.07817	0.8
143.08537	1.5
145.10112	1.8
147.11697	12.4
149.13251	10.9
152.14359	1.5
157.10178	1.3
159.11693	2.1
160.12471	1.7
161.13278	9.1
163.14795	0.9
171.11664	1.5
177.11038	1.0
203.17960	44.7
204.18466	1.4
205.19543	10.7
217.19496	1.3
219.15804	0.9
227.17902	2.2
244.20657	2.7
245.18990	3.1
247.18886	2.3
262.21667	100.0
263.21994	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
60.82396	1.2
69.87280	5.1
82.99876	4.0
85.02910	2.1
101.00889	34.0
103.61321	1.5
113.00871	12.0
119.01926	35.2
121.18325	1.3
131.01909	24.8
137.02969	2.7
139.02411	1.8
143.01894	52.5
145.03461	3.3
149.02962	2.6
155.01903	12.7
157.03477	4.5
161.02963	100.0
162.03192	1.5
173.02971	35.5
174.03119	1.9
179.04056	2.3
184.04680	3.1
185.02960	5.5
191.04013	25.3
203.03993	18.7
215.04065	1.8
221.05037	6.5
226.33319	1.3
233.05302	1.9
239.06094	3.1
249.82893	1.5
260.55188	1.6
263.01660	5.2
263.06122	34.3
264.06216	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
70.36530	1.1
70.99837	0.6
73.02904	0.9
77.00887	0.6
81.03381	0.6
82.99818	3.3
83.41827	0.5
85.02887	0.7
86.99304	0.6
87.69544	0.5
89.00880	0.5
91.05482	1.0
94.99869	0.8
97.02882	1.0
101.00880	35.8
102.00953	0.9
102.96882	0.6
109.02857	0.5
113.00164	0.9
113.00867	7.2
115.02419	0.5
119.01920	43.0
120.02006	1.6
121.01650	1.1
127.02399	0.9
131.01904	20.8
133.03490	0.5
137.02954	4.8
139.02400	1.4
143.01894	44.3
144.02032	1.7
145.03442	3.2
149.02979	2.0
155.00742	1.0
155.01888	9.9
157.03490	5.9
159.01375	1.1
161.02956	100.0
162.03096	4.3
163.04568	0.7
167.01877	1.5
173.02962	30.0
174.03099	1.2
175.04543	1.6
179.00668	3.1
179.04005	2.7
184.04610	1.2
185.02965	9.0
187.04488	0.6
188.71263	0.5
191.04008	17.1
197.02899	1.6
203.00934	0.7
203.04007	17.0
215.04019	0.8
221.01839	5.2
221.04861	4.9
221.06885	1.2
227.00601	0.6
227.04170	0.5
233.05029	1.2
237.06129	0.7
239.05797	2.5
245.01877	3.0
245.04974	1.0
247.04485	0.7
256.97528	1.1
263.02914	26.9
263.06128	44.9
264.03024	1.6
264.06598	2.7
265.05637	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49714	0.2
56.79237	0.2
57.03456	0.4
58.99888	0.8
61.02945	0.7
61.88069	0.3
66.98974	0.2
69.03426	1.3
70.99884	0.9
71.29530	0.4
73.02914	1.9
77.00925	0.8
81.03439	0.6
82.99809	3.1
84.00645	0.4
85.02891	2.4
86.06770	0.2
86.99342	0.6
89.00899	0.7
91.03948	0.4
94.99847	0.5
97.01418	0.4
97.02884	2.5
101.00880	30.6
102.01003	0.8
105.00372	0.6
109.02833	0.4
111.02953	0.4
113.00868	10.1
115.02463	1.2
117.02939	0.2
119.01920	35.5
120.02010	1.2
127.02438	1.0
127.03929	0.9
129.02975	0.3
129.03979	0.3
131.01907	26.6
132.01965	0.7
133.03471	0.9
137.02948	3.3
137.81366	0.2
138.03427	0.4
139.02388	1.1
143.01894	49.5
144.02016	1.4
145.03435	2.9
147.01376	0.3
149.02942	3.0
153.03923	0.8
155.01888	19.1
156.02049	0.6
157.03473	4.6
161.02953	100.0
162.03102	4.2
162.04457	0.3
167.01950	1.4
171.04811	0.3
173.02960	39.4
174.03081	1.7
174.04471	0.5
175.04543	1.2
179.03976	2.1
183.05063	1.6
184.04530	1.6
185.02959	6.6
187.04417	0.3
191.04004	22.5
191.89986	0.3
192.03998	0.6
196.71016	0.2
197.02986	2.2
203.04004	16.2
204.04134	0.5
209.04970	0.3
209.97516	0.3
214.05577	0.6
215.04008	1.9
221.02995	0.4
221.05060	7.1
222.05182	0.3
233.05101	2.2
239.03722	0.2
239.06082	4.6
245.05086	2.8
257.97925	0.3
263.01437	1.0
263.05991	35.2
264.06265	1.8
281.07053	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1276
Annotation	Trixol
Peak:m/z	Relative Intensity
52.67920	1.1
53.03950	1.7
53.95415	0.9
55.01867	4.1
55.05510	1.4
63.53754	0.8
65.03929	1.2
67.05498	3.9
69.03430	9.5
69.05915	6.9
69.06326	2.6
71.01353	1.1
71.95448	1.0
73.86889	0.8
77.03931	1.4
79.05493	7.5
79.68657	1.0
79.94359	1.0
81.07068	6.2
83.04960	2.5
85.02900	3.7
87.04477	1.6
91.05470	11.9
93.07047	6.8
95.04945	5.1
95.08591	1.5
97.02895	3.5
97.06528	14.3
98.23347	2.1
105.07023	13.1
107.04929	1.4
107.08591	14.7
109.02859	4.9
109.06519	5.4
109.10155	1.5
111.04449	7.7
111.08089	1.1
113.02363	4.3
115.05466	3.7
117.07023	4.7
119.04959	1.2
119.08560	9.8
121.06506	5.7
121.10167	1.1
123.04391	7.1
123.08048	3.3
128.06224	4.4
129.07021	5.2
131.08560	7.1
133.06473	3.8
133.10129	3.0
133.46236	1.0
135.04364	1.7
135.08052	100.0
136.08389	1.7
137.05968	4.2
139.03864	1.7
139.07486	1.3
141.06996	3.3
142.07784	5.7
143.08572	8.8
144.09337	3.1
145.06480	3.5
145.10101	3.4
147.04399	1.6
147.08057	7.5
147.11755	1.2
148.08708	1.0
149.06000	1.3
149.09608	2.5
151.07542	2.4
153.06946	1.1
155.08565	2.5
156.09407	7.1
157.10123	8.0
158.07251	2.7
159.08034	9.1
159.11688	9.5
160.08815	3.0
161.05954	3.6
161.09586	6.2
163.07590	2.9
165.09125	2.5
166.07858	2.9
169.06516	2.2
169.10173	2.3
170.07289	1.1
171.08075	3.8
171.11711	7.5
172.08871	4.5
173.09642	9.0
174.06761	1.8
175.07549	2.6
175.11221	3.7
179.07036	1.3
181.10133	4.0
184.08824	5.6
185.09618	4.6
186.43077	1.0
187.07550	4.1
187.11179	27.9
188.08348	4.4
189.05522	1.8
189.09106	2.3
189.12766	3.7
191.07004	1.9
197.09618	2.3
199.07571	3.7
199.11192	18.8
202.09857	1.8
203.10666	33.1
204.10953	1.3
205.08635	1.4
209.09663	2.8
212.08318	5.0
215.10672	19.0
216.10959	1.5
217.08704	1.4
217.12218	17.6
221.11717	1.2
227.10638	16.0
233.11682	14.8
245.11723	46.6
246.12035	2.6
263.12845	13.0
263.15726	1.6
264.15958	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1279
Annotation	Carmenin
Peak:m/z	Relative Intensity
51.41821	1.3
53.03947	1.5
55.01869	3.5
55.05499	3.7
57.51521	1.2
67.05493	5.8
68.99783	2.0
69.03440	10.0
69.03750	1.8
70.67559	2.6
70.67897	2.4
79.05480	5.9
81.07049	7.9
81.34182	1.2
83.04975	20.1
85.02914	13.2
91.05484	11.8
93.07033	8.1
95.04965	5.2
95.08562	1.9
97.02887	2.9
103.05429	2.9
104.99332	1.3
105.07024	17.5
107.04987	1.6
107.08601	14.7
109.02887	2.8
109.06525	7.2
109.10133	3.7
111.04430	3.4
113.02361	38.2
115.05459	2.8
117.07029	7.4
119.04923	1.8
119.08598	9.4
121.06499	5.4
121.10138	1.6
123.04414	4.8
123.08075	5.0
123.11700	5.3
125.05975	1.7
128.06221	4.7
129.06995	5.1
131.05002	1.4
131.08577	6.8
133.06467	13.6
133.10141	6.5
135.08055	30.6
137.05977	3.2
141.07002	3.8
142.07771	7.2
143.08554	9.8
144.09268	2.1
145.06482	3.7
145.10124	3.3
147.08055	8.3
147.11673	3.0
147.92439	1.4
149.09631	8.7
151.07501	2.2
151.11163	20.0
155.08557	2.3
156.09354	18.2
157.10139	6.3
158.07265	2.5
159.08023	7.1
159.11682	5.0
160.08827	4.6
161.05966	20.1
161.09612	6.7
163.07570	9.0
165.07101	2.2
166.07774	2.1
169.06473	3.2
171.07977	3.3
171.11697	11.5
172.08774	1.7
173.09628	4.3
174.06932	1.5
174.10410	2.9
175.07535	14.2
175.11174	19.8
176.08173	1.5
177.09245	2.7
177.12756	2.3
179.07036	7.5
181.10126	4.9
183.08080	1.5
184.08803	7.5
185.09607	4.9
186.10448	1.4
187.07536	4.4
187.11153	7.2
188.08333	3.2
189.05432	9.2
189.09081	3.6
189.12758	11.3
193.08620	5.4
199.11163	27.6
201.12741	1.7
202.09906	9.2
203.07091	2.4
203.10674	25.2
205.08543	2.4
207.06523	6.4
209.09587	4.2
212.08316	8.9
215.06911	1.4
217.12233	33.7
218.09486	1.6
218.12614	1.9
219.13712	1.3
227.10664	30.8
230.09438	1.6
233.11685	1.9
235.13275	3.1
245.11731	76.8
246.12112	2.9
262.19910	1.3
263.12793	100.0
264.13150	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1279
Annotation	Trixol
Peak:m/z	Relative Intensity
53.03950	7.1
53.61760	3.3
55.01883	4.4
55.05512	12.1
65.03931	4.2
67.05495	17.9
69.03436	21.4
69.07071	4.6
71.29640	3.6
72.08151	15.0
79.05496	18.4
81.07050	15.8
83.04992	22.7
83.72535	2.9
85.02903	9.9
89.32250	3.5
91.05492	35.4
92.01436	3.6
93.07058	18.5
95.04972	20.2
95.08595	9.8
97.02890	8.3
97.06532	14.8
102.85743	3.0
103.05459	5.9
105.07038	51.9
107.04964	7.7
107.08582	27.8
109.02885	14.0
109.06513	18.7
109.10176	6.3
111.04459	25.1
113.02369	19.5
115.05486	10.9
116.06238	5.0
117.07035	19.0
119.04949	5.4
119.08581	38.5
121.02847	5.6
121.06549	19.0
123.04416	15.8
123.08073	13.0
123.11671	3.6
125.06027	3.7
128.06247	12.1
129.07011	37.2
130.07796	5.1
131.08588	44.4
133.06438	16.2
133.10176	17.3
135.04420	4.7
135.08049	98.5
136.36238	3.9
137.05936	6.7
137.09583	8.3
139.03888	4.7
141.06940	16.0
142.07771	30.1
143.08568	30.0
144.05684	6.0
144.09343	13.5
145.06468	15.7
145.10144	13.3
147.08043	27.7
147.11711	12.4
149.09619	7.0
151.07544	11.8
151.11166	12.6
151.44626	3.5
153.06903	3.5
153.09064	3.4
155.08598	4.7
156.09349	38.1
157.06554	5.6
157.10141	38.2
157.54689	3.1
158.07306	6.4
159.08052	37.6
159.11688	32.2
160.08871	14.0
161.05994	16.6
161.09589	20.1
163.07532	12.1
165.06987	8.6
165.09096	16.9
166.07800	6.0
168.09494	4.5
169.06459	7.6
171.08060	5.6
171.11691	39.7
172.08830	6.3
173.09621	20.4
173.13312	12.1
174.06900	4.9
174.10381	7.7
175.07559	17.1
175.11189	52.3
179.07018	7.0
181.10120	9.3
184.08890	12.5
185.05934	4.8
185.09666	19.2
186.10376	4.1
187.07532	13.4
187.11169	27.6
188.08223	20.8
189.05437	8.5
189.09128	13.8
189.12706	28.2
191.07021	7.2
197.09706	3.8
199.11191	70.2
202.09875	20.2
203.06995	6.5
203.10680	70.0
205.08618	3.9
209.09654	4.6
212.08347	9.4
215.10745	18.8
217.08740	5.0
217.12245	74.7
221.11807	6.2
227.10681	59.9
233.11784	13.2
235.13351	7.6
245.11740	100.0
245.15437	4.6
246.11891	4.4
263.09860	4.5
263.12790	98.3
263.16428	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1277
Annotation	Carmenin
Peak:m/z	Relative Intensity
52.47609	1.7
53.03942	4.2
55.01859	4.6
55.05503	10.1
65.03934	1.8
66.11857	1.5
67.05496	9.4
68.99778	2.3
69.03432	17.1
71.01360	18.6
71.04984	7.0
71.30422	3.4
76.67353	1.6
79.05499	13.9
81.03403	5.7
81.07047	12.3
83.04981	24.0
85.02902	23.5
91.05484	19.1
93.07051	9.6
95.04959	8.8
95.08613	4.1
97.02879	5.6
97.06515	5.9
103.05439	2.7
103.46043	1.6
105.07031	30.4
107.04945	4.9
107.08598	17.9
109.02876	4.3
109.06518	8.0
109.10158	3.2
111.04426	4.7
111.08038	2.4
113.02364	35.3
115.05438	10.7
115.48914	1.9
117.07018	12.3
119.04939	4.7
119.08586	14.1
121.06512	9.1
121.10122	3.1
123.04428	3.6
123.08066	7.6
123.11707	4.4
128.06204	6.6
129.07008	11.2
131.04926	5.4
131.08574	9.7
133.06502	17.2
133.10121	10.9
135.04456	3.0
135.07074	2.9
135.08057	43.9
137.05974	6.7
139.07516	2.0
141.06989	4.3
142.07790	6.5
143.04950	2.5
143.08554	12.0
144.05656	3.5
145.05261	1.5
145.06464	11.4
145.10106	6.5
146.07295	2.1
147.04443	4.0
147.08096	10.4
147.11696	6.1
149.06052	4.1
149.09592	8.4
151.07544	7.4
151.11174	14.9
155.08626	3.5
156.09352	17.1
157.06496	6.2
157.10115	8.7
158.07251	4.1
159.08064	11.0
159.11673	7.7
160.05182	6.6
160.08836	4.7
161.05984	22.2
161.09647	8.4
163.07515	12.7
165.06953	3.0
165.09122	3.5
166.07727	3.5
169.06462	4.0
169.10114	2.1
171.04369	2.6
171.08057	3.5
171.11693	19.3
172.08867	2.8
173.09599	5.1
173.13203	2.1
174.06773	5.6
174.10408	2.4
175.07567	33.5
175.11156	24.5
177.05513	3.5
178.06195	2.4
179.07022	6.6
181.10165	5.9
184.05164	2.9
184.08815	9.7
185.05965	7.3
185.09625	9.3
186.10271	2.2
187.07582	10.1
187.11183	10.6
188.08316	6.2
189.05498	12.3
189.09088	5.1
189.12749	12.8
191.07050	4.0
193.08621	12.5
199.07484	2.5
199.11180	34.8
200.04634	2.3
202.09900	4.9
203.07033	8.6
203.08669	4.0
203.10620	33.1
204.11270	2.0
205.08548	4.5
207.06535	4.7
209.09654	4.7
212.08296	8.6
215.07048	5.2
215.10730	5.4
217.08658	5.2
217.12224	40.6
221.11853	3.4
227.07121	4.1
227.10667	36.1
230.09422	2.6
231.08081	3.0
233.11786	5.8
235.13353	3.6
245.08029	3.9
245.11726	89.8
246.12105	4.1
263.09363	8.0
263.12808	100.0
264.12979	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1279
Annotation	Trixol
Peak:m/z	Relative Intensity
53.03937	2.1
55.01871	6.0
55.05508	7.2
67.05512	8.7
69.03442	13.0
69.07058	4.2
71.05006	2.5
71.30196	1.8
71.30629	2.2
79.05488	10.6
81.07050	13.9
83.04989	8.7
85.02920	6.9
91.05495	18.2
93.07039	12.1
95.04967	10.9
95.08633	6.2
97.02894	5.8
97.06544	14.0
99.04437	3.0
103.05473	2.5
104.75927	2.2
105.07034	24.2
107.04973	3.7
107.08604	20.2
109.02859	5.8
109.06500	9.8
109.10155	4.3
111.04468	10.2
113.02369	17.1
115.05467	5.5
117.07034	8.7
119.05017	2.3
119.08588	16.6
121.06504	8.2
121.10156	5.0
123.04414	4.9
123.08076	7.2
123.11712	5.1
128.06227	3.7
129.07004	9.2
131.08595	10.1
133.06525	8.7
133.10153	7.7
135.04422	4.4
135.08057	100.0
137.05954	5.1
137.09615	3.4
141.07025	7.5
142.07764	10.4
143.08591	11.5
145.06477	4.3
145.10120	4.8
146.07253	1.8
147.04520	2.9
147.08083	10.1
147.11716	6.0
149.09636	8.2
151.11235	6.6
152.95126	2.0
156.09360	14.3
157.10115	10.4
158.07266	4.5
159.08052	12.0
159.11696	15.4
160.08824	4.9
161.05978	11.0
161.09602	10.8
163.07576	7.0
165.09225	3.5
166.07790	3.9
169.06494	4.9
171.08040	4.5
171.11743	13.1
172.08856	6.2
173.09641	12.4
173.13330	3.5
174.06804	2.6
175.07597	8.6
175.11165	12.9
177.09151	2.8
179.07069	3.6
181.10127	5.9
184.08867	7.1
185.09720	9.5
187.07549	6.1
187.11195	28.5
188.08353	4.4
189.05518	3.1
189.09125	5.2
189.12778	8.5
193.08508	3.2
199.07564	3.0
199.11191	30.1
201.12750	2.4
203.10678	41.9
209.09682	3.6
212.08441	5.5
215.10712	17.4
217.12257	35.6
227.10674	27.4
233.11673	17.9
245.11740	83.3
245.15524	4.2
263.06955	4.5
263.12823	55.9
263.16409	8.7
264.16068	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1278
Annotation	(+)-Clavicoronic acid
Peak:m/z	Relative Intensity
53.03944	1.9
55.01870	3.1
55.05505	3.9
59.04997	2.8
65.03934	1.7
67.05494	3.8
68.19050	1.2
69.03407	3.2
69.07053	1.5
69.34386	8.5
70.06584	13.1
71.52939	1.4
79.05490	22.3
81.07081	2.6
83.04977	15.7
91.05475	26.2
93.07029	11.5
95.04960	5.7
95.08611	13.8
97.02878	2.2
97.06498	2.8
103.05475	7.6
105.07031	81.6
107.04937	2.7
107.08595	55.6
109.06492	7.7
111.04425	1.5
115.05449	5.7
116.06316	2.5
116.07093	25.2
117.07007	1.5
119.04933	4.0
119.06074	2.5
119.08586	5.8
120.08104	30.9
121.06503	3.3
123.08061	4.8
125.05987	1.9
129.07034	3.3
131.08563	4.6
133.06490	70.1
133.10139	5.5
134.06812	1.4
135.08064	35.6
136.08499	1.4
137.05962	3.5
141.07007	1.5
142.07800	3.9
143.08521	5.6
145.10109	3.1
147.04387	3.6
147.08076	3.6
147.11690	2.5
148.04755	1.8
151.07556	15.6
156.09323	10.3
156.78937	1.8
157.10132	4.9
159.08025	3.6
159.11665	2.3
161.05978	60.9
161.09587	2.5
161.13243	3.9
171.11723	9.0
173.09625	2.2
173.13297	5.1
174.10474	1.4
175.07550	7.6
175.11130	9.6
179.07031	100.0
180.07384	1.9
184.08833	1.8
185.09622	2.0
186.10344	1.7
188.08409	2.2
189.12738	7.9
199.11119	8.2
201.12788	2.1
203.07135	7.4
203.10660	9.4
217.08859	2.4
217.12225	54.1
218.12503	2.1
219.13754	10.1
227.10612	5.3
235.13232	2.1
245.11743	36.7
263.12747	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1278
Annotation	(+)-Clavicoronic acid
Peak:m/z	Relative Intensity
51.64183	1.3
53.03956	3.9
55.05524	3.0
57.02424	1.3
59.04993	1.5
67.01378	1.5
67.05515	6.8
68.99783	2.3
69.03442	4.5
70.06598	14.7
70.25391	4.6
77.25990	1.4
79.05492	21.2
81.03419	2.9
81.07056	4.3
83.04984	18.9
91.05482	29.1
91.06016	2.7
93.07047	13.3
95.04974	5.1
95.08604	12.9
97.02898	5.0
97.06566	1.7
103.05482	9.3
105.04511	1.7
105.07030	83.4
106.07379	1.7
107.04977	1.9
107.08595	57.3
109.02863	1.5
109.06524	6.0
111.04445	1.6
115.05452	3.2
116.07088	28.3
117.07007	2.1
119.04952	4.9
119.06064	2.6
119.08583	8.0
120.08112	37.9
121.06512	3.2
121.10159	2.5
123.08081	5.7
125.05983	1.8
128.06155	2.2
129.06996	2.6
130.07761	1.6
130.41316	1.2
131.08568	7.3
133.06493	78.3
133.10072	7.0
135.08044	37.1
137.05994	3.9
141.06998	2.4
142.07797	3.4
143.08592	6.4
145.06473	1.9
147.08046	3.4
147.11687	2.6
151.07549	19.7
153.09129	1.5
156.08165	1.8
156.09282	6.7
157.07611	1.9
157.10156	5.7
158.10881	2.0
159.08037	2.6
161.05984	65.0
161.09662	2.1
161.13272	3.7
171.04431	2.3
171.11676	10.7
173.13255	3.9
175.07509	7.2
175.11168	8.0
179.07039	100.0
180.07265	3.4
184.08850	2.6
185.09587	2.3
189.07413	3.9
189.12766	8.3
199.11191	9.1
201.12750	2.2
203.07019	7.4
203.10643	9.8
205.05061	1.9
217.08694	2.0
217.12228	56.2
218.12485	1.8
219.13800	11.5
227.10672	4.7
235.13260	1.8
245.04575	2.1
245.11754	44.4
263.05490	1.8
263.09741	1.9
263.12704	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1278
Annotation	Arglanin
Peak:m/z	Relative Intensity
55.01868	1.9
55.05505	3.7
56.20294	1.2
59.14606	1.3
63.22296	1.7
65.03950	1.6
67.05504	3.0
67.64069	1.2
69.03420	4.9
69.61687	6.2
71.04991	2.8
76.51902	1.3
79.05480	5.2
81.07023	3.9
85.02888	1.7
91.05482	9.2
93.07034	5.6
95.04947	8.8
95.08621	14.9
97.02892	1.4
97.06531	11.5
98.10528	1.4
99.04438	4.1
105.07040	10.8
107.04922	1.6
107.08598	4.1
109.06528	3.5
111.04430	3.5
114.77352	1.5
117.06992	3.9
119.08553	6.2
120.78837	1.3
121.06501	6.9
123.04485	3.0
123.08070	100.0
124.08403	1.9
129.06995	4.0
130.37492	1.3
131.08562	6.9
133.06453	3.0
133.10126	4.1
135.08043	12.2
137.05966	4.2
137.09569	1.6
139.07547	4.0
141.07025	1.8
142.07790	6.1
143.08536	4.7
144.09343	2.4
145.06459	3.9
145.10132	3.3
147.08037	6.9
147.11708	2.8
149.05954	3.5
155.08475	2.0
156.09335	4.4
157.10155	8.0
159.08087	8.9
159.11696	6.1
160.08847	3.7
161.05910	3.2
161.09618	7.4
163.07535	3.9
165.09116	80.8
166.09451	3.4
167.07001	3.3
171.11659	4.1
173.09633	3.5
173.13222	2.3
175.07516	2.8
175.11206	7.7
177.09068	2.5
179.06999	1.6
181.10139	2.1
183.08023	1.4
184.08859	3.8
185.09612	5.4
186.10338	1.6
187.07591	3.7
187.11189	5.0
188.08295	2.0
189.05482	2.6
189.12772	2.1
199.11177	12.3
201.12677	2.0
203.10648	10.7
205.08606	9.2
215.10681	5.4
217.12277	8.0
227.10655	6.7
233.11769	4.8
235.13211	3.2
245.11661	7.4
263.12802	18.1
272.68936	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1278
Annotation	Trixol
Peak:m/z	Relative Intensity
51.26842	0.9
53.03942	2.6
55.01868	3.7
55.05502	3.8
56.83505	1.1
57.03424	1.3
61.02929	1.6
65.03942	1.6
67.05502	7.1
69.03422	14.6
69.04723	8.2
69.05133	1.9
69.07045	1.6
70.06577	2.1
71.05003	1.6
79.05489	8.4
79.74234	1.1
81.03417	2.6
81.07061	8.7
83.04961	4.0
83.08611	1.3
83.17039	0.9
85.02902	20.6
85.76007	1.1
87.04462	2.8
91.05476	16.0
93.07050	8.8
95.04968	9.1
95.08596	3.6
97.02885	7.7
97.06525	13.5
99.04443	2.2
103.05437	1.6
105.07027	16.1
107.04933	3.1
107.08588	15.5
109.02879	6.9
109.06504	7.7
109.10129	1.7
111.04446	10.3
113.02383	5.0
115.05418	5.5
116.06259	1.6
116.07084	3.1
117.07017	7.4
119.04929	2.5
119.08572	15.1
120.08100	3.0
121.06506	6.6
121.10126	1.9
123.04426	9.7
123.08066	9.9
125.05969	1.9
127.03928	3.8
128.06206	5.1
129.07027	8.1
130.07814	2.0
131.04968	1.8
131.08560	10.3
133.06519	5.2
133.07413	1.0
133.10124	6.4
135.04428	1.8
135.08051	100.0
136.08350	1.3
137.05945	2.5
137.09575	1.9
139.03906	2.1
139.07549	1.5
141.06982	2.5
142.07787	9.0
143.08548	11.2
144.09331	2.8
145.04967	3.4
145.06483	5.7
145.10130	4.4
146.07248	2.0
147.04404	1.2
147.08060	11.6
147.11714	3.8
148.05115	1.0
149.05971	3.4
149.09618	3.6
151.07518	2.4
153.06984	1.5
155.08498	2.9
156.09338	10.6
157.06441	3.0
157.10129	10.1
158.07269	2.7
159.08029	11.6
159.11674	9.8
160.08804	3.9
161.05994	6.2
161.09647	9.7
163.07530	5.2
165.06964	1.9
165.09103	3.4
166.07733	3.5
168.09323	1.1
169.06454	2.2
169.10141	1.3
170.07201	1.3
171.08061	5.3
171.11693	7.7
172.08823	7.1
173.09642	12.3
173.13237	1.5
174.06786	1.8
175.07547	6.3
175.11198	7.7
177.09167	1.6
179.07045	3.4
181.10129	4.2
183.08060	1.6
184.08842	4.5
185.09621	8.3
187.07510	2.9
187.11174	28.6
188.08307	4.5
189.05458	1.7
189.09055	5.0
189.12723	4.1
189.93257	1.2
197.09689	1.7
199.07513	3.8
199.11157	24.0
201.12730	2.0
203.06964	2.7
203.08896	1.5
203.10658	39.0
204.11079	1.3
205.08589	4.0
209.09552	2.3
212.08321	4.4
215.10666	19.5
217.08685	3.1
217.12225	24.9
219.13704	1.6
221.11713	2.0
227.10651	18.1
233.11707	17.1
245.11728	48.8
246.11940	1.5
251.12166	1.1
263.10080	2.0
263.12762	23.0
263.16647	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03941	1.1
55.01873	0.9
55.05514	15.2
57.03429	1.0
57.07077	11.3
62.97080	0.6
65.03928	2.0
65.94705	0.7
67.05506	94.2
68.05828	1.0
69.07066	15.8
69.11073	6.7
71.04990	1.9
71.08630	8.2
79.05493	23.7
81.07057	100.0
82.07393	1.7
83.04969	1.7
83.08616	12.8
85.06548	3.2
85.10192	2.1
91.05476	16.7
93.07045	24.3
95.04963	2.2
95.08606	84.2
97.06535	6.8
97.10163	6.2
99.08103	5.5
104.99273	2.2
105.06374	1.1
105.07035	12.4
107.07871	0.7
107.08591	14.7
109.06525	1.2
109.10156	45.0
110.10519	0.8
111.08062	4.4
111.11699	0.9
113.09643	2.8
119.08588	11.8
121.10145	17.3
123.08083	2.1
123.11703	17.8
125.09631	0.8
126.57942	0.6
127.11222	1.9
133.10135	13.4
135.11681	9.4
137.09612	2.7
137.13263	6.5
141.12776	1.3
147.11678	10.1
149.13229	6.1
151.11241	1.6
151.14798	8.7
155.14308	1.2
157.09993	0.8
158.57558	0.7
161.13246	8.5
163.14842	7.6
165.16411	7.7
167.14330	1.4
171.33754	0.7
175.14833	5.8
177.16385	1.5
179.08620	1.2
179.18002	3.6
181.15872	1.4
189.16429	3.9
203.17935	1.8
205.06458	1.7
217.19489	1.6
219.21153	0.8
220.08824	1.8
235.07550	2.5
236.08205	0.9
245.22636	30.0
246.22896	2.0
248.08270	1.8
263.06973	7.7
263.10703	6.5
263.23703	73.9
264.07681	2.1
264.11127	1.1
264.23810	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.78394	0.9
52.78886	1.0
53.03940	2.2
55.01867	1.4
55.05269	1.2
55.05510	14.8
55.45844	0.8
57.03436	2.4
57.07082	10.8
60.04531	4.8
61.43983	0.9
65.03916	2.5
67.05507	84.4
69.03454	1.2
69.06723	1.4
69.07071	18.0
69.09082	1.0
70.12192	2.8
71.04972	1.7
71.08636	6.3
79.05492	23.6
81.07060	100.0
82.07394	1.1
83.04978	2.0
83.08622	13.6
85.06537	3.0
85.10175	2.0
91.04952	1.6
91.05481	16.5
93.07049	25.7
95.04961	1.3
95.08610	81.1
95.50274	0.9
97.06541	6.0
97.10175	6.2
99.08096	4.6
105.07031	11.6
107.08594	14.8
109.10161	41.9
110.10518	0.9
111.08065	4.4
113.09634	3.5
119.08591	10.3
121.10149	22.0
123.08067	1.6
123.11707	17.0
127.11206	1.3
133.10143	14.2
135.11722	9.8
137.09630	2.2
137.13258	5.2
147.11678	9.7
148.12018	1.1
149.13252	10.4
151.14824	6.7
161.13261	7.9
163.14774	7.5
165.16371	7.3
175.14833	6.9
177.16350	1.3
179.17862	2.3
181.15889	1.6
189.16324	2.8
203.17929	1.4
205.19534	4.1
217.19450	1.5
245.22656	25.6
245.75934	0.8
246.23059	1.6
263.06912	2.4
263.10434	0.9
263.23709	58.3
264.23718	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.05515	17.6
57.03426	2.8
57.07080	13.7
58.79137	1.1
60.04531	9.9
65.03933	2.4
67.05507	85.3
69.07076	17.5
69.20609	9.4
71.04996	2.2
71.08640	8.0
77.03917	1.2
79.05495	23.4
81.03458	1.1
81.07058	100.0
83.04980	2.1
83.08626	16.4
85.06544	4.4
85.10177	3.1
90.58837	1.0
91.05483	21.9
93.07048	33.2
95.04970	2.4
95.08611	83.1
97.06543	7.7
97.10169	6.7
99.08102	4.4
104.99267	3.1
105.07027	12.6
107.08593	16.3
109.06525	2.3
109.10156	47.6
109.10914	2.3
111.08101	5.4
113.09635	3.1
119.08580	12.8
121.10140	28.7
123.08074	4.5
123.11697	17.2
127.11243	2.2
133.10138	15.5
135.11703	10.9
137.09616	3.2
137.13264	7.4
147.11667	11.0
149.13260	13.1
151.11232	2.4
151.14801	8.9
161.13268	9.3
163.14784	6.0
165.16397	7.9
175.14778	7.1
177.16399	1.4
178.07782	1.5
179.18005	4.2
189.16420	4.0
193.10069	2.4
205.10086	2.0
205.19603	7.4
206.10968	1.9
219.20872	1.2
220.12569	1.4
221.13348	1.8
233.09674	1.2
245.22656	29.4
246.23354	1.3
263.07013	4.7
263.10590	3.5
263.14340	2.3
263.18054	5.9
263.23721	75.9
264.18381	1.1
264.23248	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.3
57.07069	2.4
60.04526	98.0
67.05504	7.3
67.64293	0.8
69.07076	8.5
71.08589	1.0
71.30695	1.0
79.05496	11.5
80.55332	1.0
80.55864	0.9
81.07061	45.8
83.08629	2.6
91.05495	3.5
93.07044	37.2
95.08611	23.1
97.10179	1.9
105.07036	3.3
107.08604	17.4
109.10160	19.8
121.10144	100.0
122.10538	1.5
123.11703	12.8
135.11697	14.5
140.74846	0.9
149.13257	36.5
150.13663	1.1
154.43192	0.9
163.14838	2.7
165.06984	1.2
184.85672	0.9
193.06442	1.0
193.09914	0.9
194.07228	1.2
205.19524	56.3
206.19876	1.6
221.05960	0.9
221.13155	1.2
222.06705	1.3
235.07573	1.8
236.08238	1.1
237.09097	1.0
247.79942	0.8
249.05487	1.5
249.08954	1.7
249.16447	1.1
250.06250	1.4
264.04529	1.7
264.07669	4.8
264.11334	3.7
264.14722	1.2
264.18661	2.1
264.23218	15.5
265.04791	0.9
265.08578	8.0
265.11581	1.5
265.15881	3.9
265.19461	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55301	2.4
55.05524	2.4
57.07087	2.3
60.04529	94.2
63.96310	2.3
67.02317	2.0
67.05501	5.6
69.07066	7.7
70.87183	1.9
79.05496	5.1
81.07059	34.9
81.07754	2.0
83.08645	3.3
88.71195	2.6
93.07047	29.0
95.08598	13.9
107.08595	11.8
109.10160	12.0
121.10143	100.0
122.10443	3.1
123.11680	4.4
125.39926	1.9
135.11682	8.6
149.13272	25.1
149.76572	1.9
163.14723	2.1
195.41809	2.2
205.19537	34.3
264.23260	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1071
Annotation	Scytalol D
Peak:m/z	Relative Intensity
54.42670	1.2
55.01870	10.4
55.05488	1.6
55.65133	1.2
55.75647	1.2
61.02922	3.7
64.52197	1.3
65.03942	2.1
67.05497	5.3
68.99774	1.4
69.03423	8.7
70.33450	2.5
70.33853	2.9
71.01339	3.2
72.08156	6.9
73.02924	2.7
77.41660	1.2
79.05519	6.2
81.07064	5.3
85.02917	2.8
91.05485	23.8
91.06007	2.0
93.07059	8.9
93.48087	1.2
95.04975	5.5
95.08605	8.2
95.61353	1.0
97.02893	51.9
97.03513	2.6
97.06503	1.2
103.03952	2.2
103.05457	6.1
105.07038	20.4
107.04955	6.5
109.06544	3.3
111.04420	2.4
115.05460	14.2
116.06266	4.1
117.07026	15.2
119.04908	1.2
119.08585	8.2
120.05725	1.5
120.08109	26.0
120.08920	2.2
121.06511	20.1
122.07174	4.0
123.04414	1.5
123.08105	3.1
128.06235	30.6
129.07008	26.4
131.04047	1.7
131.04919	8.7
131.08578	18.3
132.05742	1.8
133.06488	39.0
133.10092	1.9
135.08070	5.3
139.03888	1.7
141.06981	15.9
143.08578	12.0
144.05721	18.3
145.06503	20.2
145.10161	3.5
146.07246	1.6
147.04416	4.5
147.08066	15.2
149.06023	2.2
151.03966	3.6
151.07549	96.5
152.06241	3.3
153.07024	10.6
154.07784	3.9
155.06065	4.7
155.08574	16.1
157.06500	35.5
157.10147	1.5
158.07251	13.5
159.08063	49.7
159.11658	1.8
161.05969	1.9
161.09618	6.1
163.07547	1.8
165.05490	6.6
165.06860	2.7
165.09125	2.1
168.05786	2.1
169.06480	8.8
169.07687	1.6
171.04475	4.7
171.06590	1.9
171.08066	39.6
172.08742	2.4
173.05977	2.0
173.09677	4.0
174.06813	1.6
175.07558	72.9
177.09135	1.5
181.06512	4.1
183.08058	14.5
185.05986	17.6
186.06769	9.0
187.07544	40.6
187.11174	2.1
188.08047	1.4
189.09117	5.1
191.07117	2.1
199.07542	31.8
199.09274	2.1
199.70473	1.3
201.09126	11.7
201.12854	1.8
203.07037	9.2
203.10587	1.9
205.08629	9.6
211.07547	6.4
211.11171	1.3
217.08607	100.0
218.09012	2.7
219.15033	1.4
229.08627	41.5
229.12199	2.1
235.09669	73.2
236.10030	2.7
247.09660	52.5
247.13358	2.0
265.06860	2.6
265.10742	21.1
265.13589	1.5
265.14993	3.5
286.92609	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
Annotation	gamma-CEHC
Peak:m/z	Relative Intensity
55.01870	4.3
55.05517	19.3
59.05006	4.0
65.03912	4.4
67.05511	20.0
67.33093	3.0
69.03430	28.6
69.07059	10.3
69.17892	22.9
71.04997	8.3
79.05486	23.0
81.03486	3.6
81.07060	19.3
83.04980	47.6
83.08615	10.1
85.02894	8.5
91.05474	38.3
93.07042	38.2
95.04964	20.0
95.08601	18.8
97.06542	9.2
103.03933	20.2
103.05451	6.3
105.07021	43.9
107.04960	10.2
107.08595	50.6
109.06510	57.8
109.10126	5.8
111.04423	6.0
111.08072	12.0
115.05435	7.8
117.07029	37.9
119.08566	41.8
121.06510	31.6
121.10139	40.9
122.07178	9.7
123.08047	8.5
125.06028	6.0
125.09634	40.3
128.06206	4.8
129.06989	10.2
130.07742	5.7
131.08562	30.7
133.10147	24.5
135.04486	3.6
135.08051	70.6
135.11681	37.3
137.05978	6.3
137.09618	10.2
139.07504	4.4
143.08571	17.6
144.04736	4.4
144.09305	12.0
145.06444	27.2
145.10118	43.7
147.08041	18.1
147.11652	7.7
149.05988	32.1
149.09621	70.8
151.03926	8.5
151.07571	7.5
153.05484	4.0
155.07001	14.1
157.10114	4.1
158.10945	12.4
159.08064	10.7
159.11679	45.7
160.08855	3.6
161.06056	3.5
161.09587	16.1
161.13280	10.5
163.07617	16.3
163.09828	4.0
163.11186	79.0
167.07072	15.4
169.10114	3.6
172.08879	7.8
173.05963	16.5
173.09586	9.4
173.13269	44.5
177.12691	16.7
181.08603	37.3
183.11667	10.6
186.10396	5.8
187.11185	100.0
189.09045	12.5
190.06262	8.0
191.07082	9.0
191.10686	7.3
201.12752	93.0
203.14366	4.2
205.08565	7.2
205.12244	72.6
207.10167	7.4
217.08693	7.7
219.13820	18.1
221.15442	12.6
229.12233	66.8
235.13280	10.0
247.13312	66.2
251.06912	3.5
265.08459	9.9
265.14282	78.2
265.17270	5.1
265.18152	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1436
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03949	5.8
55.05507	19.7
55.24591	3.3
65.03951	10.0
67.05502	22.9
69.03432	37.9
69.07053	4.4
69.40591	19.7
71.04992	8.6
72.08157	46.5
74.41323	2.8
74.91732	3.1
76.00819	2.6
79.05506	26.9
81.04567	5.4
81.07056	14.7
83.04986	9.4
87.04473	3.3
91.05482	55.2
93.03416	11.3
93.07040	37.8
95.04977	48.9
95.08601	17.7
97.02863	4.5
97.06546	9.0
99.04462	6.8
103.05463	7.1
105.07034	70.8
107.04967	4.7
107.08584	17.6
109.02874	4.1
109.06531	34.8
109.10155	7.7
111.04437	34.8
111.08100	10.1
113.05993	14.0
115.05470	8.7
116.06271	4.2
117.07013	22.6
119.08582	100.0
120.08098	9.5
121.02881	10.5
121.06499	44.0
121.10130	14.0
122.07169	25.7
123.08077	22.2
125.06085	3.5
128.06247	8.2
129.07005	23.8
130.07787	4.5
131.08575	39.8
131.23607	2.8
133.06514	12.8
133.10147	16.5
135.08052	80.6
137.09642	10.8
139.03914	12.8
139.07549	9.1
141.06996	10.0
142.07829	13.2
143.08569	20.4
144.04753	5.4
144.05742	3.7
144.09351	9.0
145.06509	13.3
145.10136	31.8
146.07268	6.1
147.08049	41.1
147.11739	15.7
149.05991	5.0
149.09627	10.9
151.07581	8.1
153.07056	3.9
153.26680	3.1
155.08540	11.7
156.09380	10.5
157.06488	6.0
157.10147	17.3
158.07249	31.4
158.10910	3.3
159.08063	42.5
159.11688	37.1
160.08847	7.5
161.05911	4.7
161.09621	31.4
163.07480	4.2
165.09111	29.2
168.09354	9.4
169.10109	5.0
171.08060	8.8
171.11752	11.5
172.08841	18.4
173.09587	17.9
173.13222	18.5
175.07550	70.0
175.08951	5.3
175.11171	36.6
181.06570	3.7
183.11720	10.3
185.09662	10.1
186.10425	4.8
187.11185	42.6
189.09065	10.7
189.12749	13.1
191.06999	5.2
191.10823	2.9
193.08603	18.7
193.10121	3.9
196.08858	6.3
199.11226	16.2
201.12735	34.9
203.10657	43.3
205.12256	9.7
211.11133	19.9
217.12219	21.9
219.13844	12.5
229.12231	28.0
235.13335	8.4
247.13326	45.1
262.15930	3.3
265.10791	8.3
265.14511	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
Annotation	Orthochromene A
Peak:m/z	Relative Intensity
53.03938	0.4
54.28445	0.3
59.05001	6.0
64.68180	0.2
65.03942	0.5
67.05529	0.3
69.07066	2.1
69.16560	1.9
79.05492	0.9
81.07069	0.3
91.05479	2.5
93.07040	0.5
95.04975	0.9
97.06532	0.2
103.05471	0.4
105.07010	0.5
107.04968	1.2
108.05717	0.7
109.06525	1.0
115.05447	0.5
117.06976	0.3
121.06503	1.1
122.07193	0.4
123.04415	1.1
123.08075	0.8
124.05179	0.4
128.06212	0.3
129.06992	0.4
131.04935	0.9
132.05698	1.3
133.06493	0.7
135.04411	0.8
135.08017	0.4
135.59331	0.3
136.05206	4.5
137.05989	3.7
138.06749	1.9
139.07593	0.4
143.08517	0.6
145.06474	1.1
145.10117	0.8
146.07253	0.7
147.08060	1.3
148.05183	10.6
149.05978	0.9
151.03896	2.2
151.07532	1.4
152.04686	0.6
152.06200	0.4
153.05447	0.3
153.06967	0.4
153.09100	0.3
154.06239	3.0
155.08574	0.3
158.07301	1.0
159.04424	0.5
159.08087	0.8
160.05168	0.9
161.05930	0.7
161.09587	0.5
162.06833	0.3
163.07568	0.7
164.08273	0.5
165.05447	2.0
165.06967	0.7
166.06261	21.0
166.07616	0.8
167.06631	0.4
169.06526	0.3
169.08629	3.2
171.08057	0.9
172.08824	0.6
173.05920	0.3
173.09618	8.8
174.06773	1.0
175.07568	3.5
176.04749	0.6
176.08319	2.8
177.05460	1.6
177.06786	0.3
177.09085	0.5
179.08560	0.5
180.07779	2.0
181.08591	100.0
182.08916	2.1
185.05882	0.5
185.09560	0.3
186.10371	0.4
187.07538	0.4
187.11160	1.9
188.08360	0.3
189.09105	2.7
190.09886	6.4
191.07016	2.6
191.10661	3.1
192.07793	7.6
193.04927	0.3
193.08527	0.3
194.07242	0.8
195.06543	3.0
195.08250	0.5
195.10158	6.8
200.08249	0.4
201.09111	9.9
202.09818	1.1
203.07048	1.0
203.10512	0.4
204.11386	0.4
205.06544	0.3
205.08527	0.6
206.07401	0.5
206.09370	8.1
206.12726	0.3
207.10141	4.1
208.10753	0.3
209.05971	0.7
209.08107	0.8
209.09851	0.4
209.11671	0.4
216.11456	32.0
217.08601	5.0
217.11989	2.6
218.09184	0.5
219.08157	0.3
219.10185	1.0
220.11003	0.8
221.05997	0.5
221.08163	0.6
221.11710	6.7
221.13765	0.5
222.06752	2.2
222.12129	0.5
223.07536	0.3
223.09508	0.5
232.10960	8.1
233.11441	0.5
234.12466	0.7
235.03879	0.3
235.07545	0.5
235.09666	1.4
235.13274	0.6
237.05461	1.3
237.09009	1.4
237.14857	2.9
238.06259	0.4
247.13287	20.7
248.13605	0.9
250.06189	2.0
250.09842	0.3
250.11945	1.5
265.04984	4.6
265.08575	10.2
265.14355	32.2
266.05646	0.9
266.09198	1.0
266.14709	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
Annotation	Orthochromene A
Peak:m/z	Relative Intensity
55.21109	0.5
59.05000	7.8
63.29277	0.5
65.03943	0.9
67.05527	0.4
69.07069	2.1
69.23187	0.8
69.23583	2.4
71.98602	0.4
77.03503	0.4
91.05483	2.3
95.05003	0.5
106.04191	0.9
107.04920	0.7
108.05736	0.6
109.06532	1.2
115.05475	0.6
121.02843	0.8
121.06506	1.3
123.04446	1.3
123.08075	0.9
128.06187	0.6
131.04919	1.8
132.05721	1.2
133.06462	0.6
135.04398	0.8
136.05186	4.6
137.05977	3.7
138.06770	1.8
143.08554	0.9
145.06523	1.4
145.10168	0.7
147.08026	1.5
148.05185	11.8
149.05997	1.1
151.03903	1.9
151.07521	1.4
152.04538	0.5
153.05464	0.6
153.06976	0.8
154.06300	3.3
158.07303	1.0
159.08101	0.5
160.05228	1.4
161.05986	1.3
161.09579	0.6
164.08382	0.7
165.05490	2.0
165.06969	1.1
166.06259	24.1
169.08650	2.5
171.08076	1.4
172.08862	0.5
173.09612	10.4
174.06819	1.2
175.07552	4.4
175.11169	0.5
176.04759	0.6
176.08347	2.7
177.05487	1.7
177.09164	0.7
180.07823	2.0
181.08592	100.0
181.58586	0.5
182.09018	2.1
187.11191	2.0
188.08318	0.6
189.09090	2.3
190.09869	7.6
191.07060	4.1
191.08626	0.7
191.10622	3.1
192.07814	7.1
193.08456	0.8
194.07292	0.8
195.06502	1.7
195.10165	5.3
195.24763	0.6
201.09091	13.6
202.09787	1.5
203.07092	0.9
203.10678	0.8
205.08595	0.7
206.09366	8.2
206.11110	0.6
207.08307	0.8
207.10133	4.6
209.08066	1.5
216.11458	40.4
217.08611	6.9
217.12035	3.1
219.10164	0.8
221.11716	9.8
222.06778	1.2
222.12112	0.5
223.09608	0.7
232.10931	8.2
233.74504	0.5
235.09581	1.2
235.13287	1.2
237.05339	1.0
237.09082	1.2
237.14859	2.4
247.13298	28.4
248.13599	0.5
249.05420	0.5
250.06197	1.5
250.11966	1.4
250.37093	0.5
251.03455	1.2
265.04944	7.6
265.08548	8.0
265.14334	36.3
266.05627	1.5
266.09183	1.0
266.14685	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03946	6.5
55.01863	5.4
55.05514	14.0
56.74176	2.8
65.03937	9.4
67.05508	25.1
69.03429	33.1
69.07042	3.2
69.55498	17.0
71.04992	10.5
72.08157	4.9
78.73224	2.4
79.05491	20.1
79.52312	2.5
81.07055	15.3
83.04980	9.6
91.05479	62.1
93.03394	5.3
93.07053	41.1
95.04964	51.1
95.08601	25.3
97.02877	2.9
97.06518	8.0
99.04441	5.8
100.49132	3.1
101.48450	2.5
103.05490	7.8
105.07029	80.3
107.04961	6.0
107.08601	21.5
109.02893	3.4
109.06513	31.6
109.10168	6.7
111.04451	30.2
111.08097	9.3
113.02372	2.9
113.05999	19.6
115.05457	8.6
116.06252	6.3
117.07017	21.7
119.08575	100.0
120.08067	3.5
121.02866	14.1
121.06494	49.5
121.10166	15.3
122.07249	3.8
123.04398	3.5
123.08066	22.5
125.05957	3.1
128.06216	9.4
129.06992	21.0
130.07759	6.5
131.04982	2.5
131.08569	47.5
133.06506	11.6
133.10127	16.9
135.08060	81.5
137.06018	2.9
137.09593	17.6
139.03903	10.7
139.07571	6.8
141.07008	8.3
142.07805	10.6
143.08556	19.8
144.05745	3.7
144.09357	9.3
145.06490	17.6
145.10106	31.8
146.07295	5.9
147.08047	47.9
147.11679	17.9
149.05959	3.9
149.09605	11.2
151.07585	2.7
153.06944	6.9
154.07777	4.3
155.08580	9.2
156.09348	5.9
157.10126	23.0
158.07286	24.0
158.10904	4.8
159.08049	43.9
159.11676	44.9
160.08820	5.6
161.05977	6.6
161.09624	40.8
161.13228	5.0
165.06862	3.3
165.09114	39.7
167.08600	3.0
168.09331	10.2
169.10153	7.3
171.08063	8.7
171.11694	12.0
172.08870	25.6
173.09647	23.7
173.13280	23.6
174.06775	4.5
175.07547	80.0
175.08957	5.6
175.11168	42.6
177.09167	4.3
181.06494	5.9
183.11711	12.2
184.08888	5.5
184.61433	2.8
185.09595	9.8
185.13191	4.4
186.10425	8.7
187.11186	43.2
189.09119	12.4
189.12781	14.9
193.08601	21.3
193.10150	5.7
196.08897	7.4
199.11104	16.0
201.12730	33.9
203.10678	50.2
205.12247	7.0
211.11192	22.5
217.12227	24.8
219.13802	8.9
229.12233	28.6
235.13264	6.8
247.13255	42.6
265.14462	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
50.18581	3.9
53.03937	4.9
55.05500	12.6
65.03928	16.2
67.05504	32.2
69.03429	35.9
69.70469	18.4
71.04973	12.5
71.58344	3.9
79.05491	21.7
81.07047	20.6
83.04967	10.4
91.05478	61.8
93.03401	11.9
93.07040	47.7
95.04976	47.7
95.08613	22.8
97.06550	7.7
99.04437	4.7
105.06376	6.2
105.07030	77.3
107.04982	3.9
107.08603	26.7
109.06519	23.1
109.10172	8.6
111.04439	30.7
111.08070	13.8
113.06019	17.3
116.06218	5.5
117.06998	21.5
119.08584	100.0
119.09446	5.6
121.02888	15.9
121.06519	41.0
121.10143	15.0
122.07120	5.9
123.08059	26.2
128.06223	9.2
129.06984	26.0
130.07748	5.3
131.08563	52.0
132.05644	4.4
133.06476	12.3
133.10127	26.1
135.08051	95.5
135.11780	4.6
137.09605	14.0
139.03917	15.6
139.07538	13.5
141.06982	12.4
142.07764	14.0
143.08577	23.9
144.09360	8.7
145.06470	12.8
145.10109	28.7
146.07182	4.8
147.08041	41.2
147.11697	15.8
149.05962	5.2
149.09612	10.5
151.07503	6.1
153.06970	6.5
155.08522	7.2
156.09352	8.3
157.06482	5.2
157.10109	22.7
158.07228	21.4
159.08066	41.3
159.11691	50.2
160.08789	7.5
161.09607	44.1
161.13277	5.3
163.07573	4.1
165.09109	41.8
168.09332	10.6
169.10162	6.6
171.08055	6.2
171.11670	10.0
172.08838	24.7
173.09554	18.7
173.13251	27.8
174.06792	5.2
175.07558	76.0
175.11151	35.0
181.10075	5.8
183.11734	9.3
185.09627	6.9
186.10393	7.9
187.11177	51.2
189.09102	9.0
189.12708	13.1
193.08563	27.8
196.08830	6.6
199.11154	16.3
201.12738	33.9
203.10677	48.0
205.12219	4.4
207.10107	6.4
211.11194	20.3
217.12177	20.0
219.13853	11.7
219.31195	3.7
228.62973	4.0
229.12311	20.9
229.14246	3.7
235.13309	6.8
247.13232	44.5
265.14334	56.8
266.14664	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1435
Annotation	(-)-Abscisic acid
Peak:m/z	Relative Intensity
53.03963	6.7
55.01867	4.3
55.05515	18.9
57.07084	8.1
59.04995	8.0
60.50871	4.3
67.05498	19.0
68.99793	8.1
69.03431	20.8
69.07065	12.5
69.64191	9.5
69.64576	7.6
79.05489	27.0
81.07072	23.4
83.04985	69.9
85.06551	5.0
91.05474	23.4
93.07056	29.0
95.04971	14.5
95.08607	22.4
97.06528	6.8
100.69613	4.0
105.07037	34.0
107.04972	5.1
107.08616	39.1
109.02901	6.8
109.06532	16.2
109.10165	10.7
111.04437	44.3
111.08081	11.3
113.06006	25.9
115.05501	6.0
117.07011	15.1
119.08627	26.4
121.06512	35.4
121.10142	11.9
122.07143	15.1
123.08096	21.1
125.09682	5.5
131.08575	17.1
133.10179	10.9
135.08052	76.6
135.11678	5.3
137.09644	10.3
141.53252	3.7
142.07813	4.7
143.08525	7.2
144.09286	4.1
145.06485	11.9
145.10170	16.8
147.08038	13.5
149.06056	9.4
149.09627	21.6
151.07515	5.5
153.09138	15.8
155.10730	4.2
157.10118	5.9
158.10930	5.8
159.08035	11.2
159.11670	23.5
160.08838	4.3
161.09651	9.1
163.07564	56.8
163.11194	13.8
165.09177	6.6
167.07166	3.9
168.09355	4.5
172.08823	11.1
173.06013	4.6
173.09648	7.2
173.13316	20.3
177.12808	6.5
181.08614	5.5
183.11719	6.6
186.10448	9.7
187.11189	41.0
191.07101	18.4
201.12743	35.6
203.14297	4.6
205.12296	12.3
209.06042	6.7
209.08076	10.0
210.78072	4.7
211.11176	6.6
213.97354	3.8
219.13855	24.4
229.12254	34.1
229.15866	4.9
247.13316	100.0
265.08640	7.5
265.12085	12.0
265.14474	27.2
265.18332	4.8
286.12656	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
Annotation	gamma-CEHC
Peak:m/z	Relative Intensity
51.89010	1.1
52.08821	1.3
53.03929	1.9
55.01861	1.5
55.05507	2.8
57.03414	2.1
57.07083	7.5
59.04994	3.4
65.03931	3.1
67.05502	6.7
68.99782	5.7
69.03438	8.7
70.24874	4.7
71.01347	1.4
71.05005	1.5
79.05491	10.4
81.07052	7.1
83.04992	11.4
83.08617	4.7
85.02879	3.4
87.04410	1.4
91.05479	14.1
93.03422	3.0
93.07056	13.4
95.04949	5.1
95.08583	6.9
97.02885	4.5
97.06536	7.3
101.05981	1.5
104.74464	1.3
105.07029	10.4
105.27750	1.3
107.04986	2.1
107.08600	22.4
109.02925	1.5
109.06521	19.6
109.10161	9.6
111.00777	1.3
111.04435	4.9
111.08073	7.7
113.06018	1.7
115.03973	2.2
115.05436	3.5
117.07031	13.4
119.04945	1.6
119.08577	20.0
121.02862	4.9
121.06509	23.2
121.10139	7.8
122.07142	3.1
123.04396	1.3
123.08063	4.5
123.11708	3.8
125.09641	5.3
129.07007	2.5
131.08574	7.3
133.06526	4.4
133.10155	4.0
135.08058	38.5
135.11699	7.7
136.08411	1.8
137.05943	2.6
137.09613	2.1
139.03905	4.3
139.07608	2.4
144.95546	1.2
145.06482	11.3
145.10109	5.2
147.08031	7.6
149.05948	6.7
149.09636	3.5
151.07526	14.6
153.09140	7.5
155.08539	1.8
157.10048	2.0
159.08080	2.9
159.11717	8.5
161.09624	4.2
163.07545	36.3
163.11194	5.3
165.09113	2.3
167.06950	1.2
172.08801	3.2
173.06068	1.6
173.09592	2.7
173.13252	8.6
177.12761	7.9
181.04991	4.6
181.08601	23.9
183.11649	1.8
186.10431	1.9
187.11198	10.7
191.06993	6.5
191.14250	1.4
201.12769	7.4
205.12238	14.7
207.10124	2.0
209.08080	32.7
211.11243	1.7
219.13744	7.2
229.12241	7.7
237.08966	1.4
247.13329	13.2
263.91577	1.3
265.14365	100.0
266.14703	3.4
266.61478	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1435
Annotation	ABSCISIC ACID
Peak:m/z	Relative Intensity
50.76874	2.8
52.65782	2.8
53.03960	3.7
55.01892	4.2
55.05507	11.2
56.67216	2.9
57.03455	4.0
57.07063	2.9
59.32851	3.3
60.69389	3.1
67.05505	21.0
69.03447	23.0
69.07063	10.2
69.76646	2.8
71.04996	6.5
71.29755	4.4
76.75515	3.3
79.00278	3.1
79.05502	28.2
81.03403	3.2
81.07056	25.0
83.04986	46.9
83.08616	4.4
85.02933	5.6
85.06549	5.6
88.93512	3.0
91.05480	30.2
93.07068	29.1
95.04968	18.5
95.08607	18.5
97.02879	3.2
97.06539	10.4
103.03937	17.8
103.05488	4.2
105.07039	38.3
107.04960	8.8
107.08597	45.1
109.06509	40.6
109.10152	11.2
111.04438	7.3
111.08081	9.4
115.05503	4.7
117.07012	23.8
119.08601	33.7
121.06495	31.1
121.10136	40.1
122.07184	13.0
123.08086	11.2
125.05968	5.6
125.09614	35.5
127.04021	3.4
128.06207	5.4
129.06978	12.6
130.07806	4.9
131.08562	31.4
133.06485	7.6
133.10152	17.7
135.04463	4.2
135.08054	65.2
135.11705	33.8
137.05989	6.8
137.09639	9.7
141.06998	4.8
142.07852	3.8
143.08575	9.8
144.09346	8.6
145.06497	12.9
145.10115	38.5
147.08069	12.1
147.11705	7.5
149.05997	31.0
149.09628	61.1
149.13216	4.5
151.07532	3.6
155.07057	15.7
157.10121	9.4
158.10919	13.0
159.08095	15.0
159.11700	39.5
161.09625	12.7
161.13245	5.3
163.07561	19.1
163.11183	91.4
167.07059	13.2
169.10164	4.7
172.08838	8.1
173.09657	10.0
173.13252	43.5
175.11266	4.9
177.12799	18.5
181.05002	5.1
181.06891	4.6
181.08600	39.7
183.11789	7.1
186.10413	8.7
187.11182	100.0
187.14825	4.9
191.07066	5.5
191.10649	8.0
201.12744	95.1
202.13144	4.7
203.14330	6.9
205.08493	4.2
205.12245	81.6
207.10147	4.2
219.13838	22.7
221.15416	13.3
223.13280	4.9
229.12219	73.8
235.13306	8.1
247.13307	71.9
247.17166	3.6
265.14349	58.7
265.17255	4.4
265.18011	3.2
265.23630	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1436
Annotation	ABSCISIC ACID
Peak:m/z	Relative Intensity
55.01870	5.0
55.05509	14.0
57.07084	19.5
59.05010	3.8
60.58893	3.5
65.03944	5.0
67.05498	18.2
69.00032	10.0
69.00438	29.6
69.03440	19.0
69.07066	6.2
70.06590	17.8
71.05006	5.6
71.06920	12.5
71.08646	4.5
74.68221	4.0
77.50741	3.6
79.05490	18.9
79.94102	3.5
81.07060	16.4
81.57867	3.9
83.04988	51.1
88.07615	28.7
89.07970	13.6
91.05479	22.7
93.07056	29.0
95.04961	13.9
95.08601	16.9
97.02888	7.3
97.06538	7.7
98.22620	8.0
99.04451	3.8
102.09169	11.0
103.09531	6.4
104.09647	4.9
105.07036	40.1
107.08598	47.3
109.02879	18.2
109.06522	15.4
109.10192	11.6
110.93317	4.4
111.04420	32.1
111.08080	8.3
113.06035	12.5
115.05456	7.0
117.07011	14.9
119.08572	31.6
121.06508	50.5
121.10150	17.1
122.07150	9.1
123.08136	21.6
128.06203	4.8
129.07002	4.9
131.08571	22.3
132.63464	4.4
133.10133	14.4
135.08055	100.0
135.11656	7.2
137.06021	7.1
137.09616	9.9
141.07010	4.8
143.08589	12.2
144.09346	9.0
145.06522	15.7
145.10173	18.9
146.07248	5.2
147.08058	6.6
149.06030	8.2
149.09637	24.4
151.07623	6.5
151.11261	5.2
153.09128	9.1
155.08569	6.0
158.10905	10.4
159.08040	12.8
159.11688	33.1
161.09637	10.9
163.07558	60.4
163.11208	11.4
165.09166	12.7
171.08037	4.0
172.08858	13.4
173.09589	19.2
173.13269	50.3
177.12846	6.1
183.11684	9.4
185.13321	4.8
186.10413	22.3
187.11182	87.0
191.07056	30.8
196.08859	4.1
200.20067	11.7
201.12756	78.5
201.20390	28.9
202.20726	30.1
203.21048	13.7
205.06564	5.5
205.12204	26.5
209.08055	7.0
211.11214	12.3
219.13774	28.0
221.11668	4.1
222.06659	4.5
223.40680	3.9
229.12241	68.6
237.09146	5.6
247.13303	86.6
264.24374	98.1
265.08545	22.1
265.14175	24.7
265.24600	84.9
275.62976	3.8
276.75290	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
Annotation	gamma-CEHC
Peak:m/z	Relative Intensity
53.03924	4.8
55.90048	2.7
57.07082	4.1
60.68656	2.7
67.05506	9.6
69.03432	7.8
69.58775	14.6
73.69820	2.6
75.36007	2.8
79.05489	15.4
81.07056	10.7
81.86256	2.7
83.04984	23.3
85.02899	4.6
91.05479	15.7
93.07028	14.3
95.04965	7.9
95.08607	8.8
97.02876	4.3
97.06540	4.8
98.44717	2.6
105.07026	17.3
107.05011	4.8
107.08590	19.3
109.02893	7.6
109.06510	9.0
109.10175	3.7
111.04437	19.4
111.08077	4.6
112.35958	3.0
113.06007	6.5
117.07014	10.5
119.08572	14.3
121.06503	25.4
121.10159	6.4
122.07172	6.1
123.08084	12.2
125.09632	2.9
127.98573	2.9
131.08571	16.7
133.10133	5.3
135.08055	46.6
135.11642	3.4
137.05994	4.3
137.09613	7.0
142.18271	2.8
143.08606	4.2
144.09348	3.1
145.06508	9.2
145.10144	10.8
145.34892	3.0
147.08083	3.3
149.05991	3.7
149.09627	36.1
153.09108	5.0
158.10910	4.3
159.08083	5.5
159.11720	10.4
161.06085	3.2
161.09618	7.9
163.07506	30.3
163.11223	8.1
165.09152	4.5
172.08907	4.2
173.05927	4.0
173.09599	7.4
173.13263	16.8
183.11626	4.4
186.10419	6.8
187.11179	26.8
191.07069	9.3
201.12746	33.3
205.12248	8.6
209.08081	4.7
211.11272	4.1
219.13748	16.7
229.12224	24.4
247.13300	100.0
248.13649	5.7
265.14316	22.4
287.05569	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
Annotation	gamma-CEHC
Peak:m/z	Relative Intensity
53.03900	1.6
55.01839	0.7
55.05462	2.3
57.03393	1.5
65.03925	0.7
67.05505	5.3
69.03432	4.1
69.07020	1.7
70.07900	0.6
70.40562	1.1
70.40951	1.2
70.48183	0.5
79.05492	9.6
81.03387	0.5
81.07054	10.9
83.04916	2.0
85.02850	2.1
91.05479	10.4
93.07047	10.2
95.04964	3.5
95.08612	7.8
97.06451	1.6
103.05441	0.8
105.03349	1.2
105.06403	0.8
105.07018	10.6
107.04958	4.3
107.08589	4.4
109.06503	5.1
109.10081	1.7
111.04396	1.2
111.08054	0.9
115.05391	1.3
117.07017	6.0
119.04886	1.2
119.08561	5.2
121.06503	10.2
121.09309	0.6
121.10133	7.0
122.07147	3.1
123.04398	0.6
123.08061	8.3
125.05997	3.7
125.09590	1.1
128.06180	2.1
129.07004	4.4
131.08565	12.3
133.06451	1.4
133.10133	2.9
134.94695	0.6
135.04353	1.8
135.07993	2.1
135.11638	0.9
137.05901	1.3
137.09561	2.2
139.07550	4.1
141.06963	1.7
142.07680	1.4
143.08586	5.9
145.06496	4.1
145.10106	3.7
147.07979	1.6
149.05891	1.8
149.09610	57.6
150.09901	1.2
151.07510	1.0
151.11127	1.1
155.08517	1.8
155.27669	0.6
156.09277	0.8
157.10091	2.4
158.10890	0.6
159.08035	6.1
159.11673	4.5
161.09534	2.0
163.07491	1.5
163.11095	2.2
165.06926	1.8
165.09105	0.8
166.07721	0.9
168.09312	1.9
169.10106	0.9
171.07993	1.0
172.08722	0.8
173.05994	1.7
173.09531	1.8
173.13264	8.9
175.07570	1.0
175.11153	0.8
177.09126	3.3
183.11736	3.5
185.09592	1.0
185.13145	0.6
186.10364	1.0
187.07481	1.5
187.11137	2.5
189.09084	2.9
191.06972	2.1
191.08542	0.6
193.06461	0.6
194.07198	1.9
201.12729	17.7
205.06685	1.0
205.08556	2.0
205.12181	1.2
211.11108	0.6
217.12135	0.9
219.10201	0.9
219.13759	4.7
222.06714	1.7
229.12236	6.2
237.09047	1.8
247.13289	100.0
248.13594	3.5
265.08499	5.3
265.14340	41.0
266.14456	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29831	0.3
65.33047	0.2
71.06569	0.2
71.29044	0.5
75.87517	0.2
78.57138	0.2
82.99847	0.6
85.02383	0.3
98.83110	0.3
101.00883	5.9
102.00961	0.3
103.00636	0.9
104.10750	0.3
107.04910	0.3
109.97005	0.3
116.98866	0.4
119.01922	9.4
119.04879	0.3
120.02045	0.6
121.01659	2.4
134.99886	0.7
137.02957	1.2
139.02684	0.5
140.98840	1.0
145.08626	0.2
158.99889	3.9
159.99872	0.3
163.02632	0.3
165.99706	0.3
177.00949	20.1
178.01048	1.2
181.05257	0.3
182.99991	0.8
199.02924	0.4
201.00946	3.4
202.01006	0.3
217.04077	2.6
218.04225	0.3
219.02003	25.4
220.02165	2.1
223.06287	0.4
225.00841	2.5
234.00618	0.5
239.05737	0.3
241.07457	0.4
242.03528	0.3
243.01964	9.8
244.02101	0.8
261.03052	100.0
262.03183	8.1
263.03461	0.5
266.07059	0.3
267.05478	0.5
267.11102	0.4
269.50171	0.2
284.04639	1.3
284.07556	0.3
285.06488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.4
57.03433	0.3
59.05007	0.8
61.02926	1.3
67.05509	0.2
69.03413	0.2
69.39362	1.2
70.94447	0.2
71.04996	1.8
79.05486	0.9
81.03411	0.7
81.07053	3.5
83.04984	0.2
85.02919	0.2
91.05482	0.4
93.07019	0.2
94.04065	1.6
95.04965	0.2
95.08600	0.2
97.02927	0.3
99.08082	0.2
105.07039	0.3
109.05110	0.2
113.09624	0.2
119.03549	3.0
119.08579	0.4
120.04483	0.2
120.08968	0.3
124.86993	0.2
124.94722	0.2
129.06981	0.3
134.05977	0.3
135.82863	0.2
136.06184	100.0
137.04605	1.4
137.06657	1.1
138.05499	0.3
150.05458	0.3
150.07764	0.4
158.05981	0.3
168.06540	0.6
175.63596	0.2
197.11108	0.2
202.13231	0.2
234.13490	17.2
235.13792	0.5
248.12851	0.2
266.16122	42.6
267.16312	1.6
269.07892	0.2
289.59601	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.0
55.05500	8.5
57.03429	15.9
65.03959	4.8
67.05505	28.9
67.76757	4.6
69.03432	5.8
69.07064	13.9
70.60041	4.6
71.29803	10.1
73.02897	7.6
79.05498	30.8
81.03427	63.9
81.07053	37.5
83.04979	11.7
83.08614	12.0
85.02915	7.9
91.05473	43.8
93.07043	26.0
95.04971	17.2
95.08620	23.1
96.70322	5.0
97.06539	9.3
105.03368	10.2
105.07026	57.9
107.04987	9.6
107.08611	23.9
109.06490	13.2
109.10148	11.5
111.08051	8.4
115.05443	8.2
117.07037	21.2
119.08578	41.7
120.04436	6.2
121.06493	6.7
121.10167	12.5
123.08049	12.0
128.06213	13.8
129.06998	35.4
131.08577	34.0
133.06471	9.7
133.10117	31.2
135.08070	13.1
135.11700	13.8
135.86719	5.5
136.06189	14.3
137.05965	7.0
137.09605	7.9
141.07002	9.8
142.07779	7.3
143.08514	12.9
144.05707	8.3
145.10115	11.2
147.08058	11.1
147.11697	26.7
149.09610	10.0
157.06554	7.8
157.10132	17.9
159.08051	26.0
159.11722	7.8
161.05862	7.8
161.09639	17.1
161.13327	6.3
165.12782	6.5
170.07349	5.3
171.08005	12.4
173.05956	5.0
175.07582	8.4
175.11211	11.7
175.14839	19.2
185.13263	8.6
187.07507	19.1
189.09074	9.1
189.12653	5.6
193.12231	12.2
203.14365	9.6
204.07851	11.4
207.10196	12.1
219.10286	6.0
221.11778	6.7
221.15291	8.7
231.13824	15.6
249.11243	100.0
249.14935	31.6
267.12958	7.0
267.15878	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1377
Annotation	Juncutol
Peak:m/z	Relative Intensity
53.03919	0.4
55.01841	0.8
55.05476	1.5
58.56669	0.6
67.05477	0.9
69.06721	4.0
69.07079	0.9
72.53683	0.4
79.05444	1.5
81.03384	1.3
81.07041	2.1
83.05029	0.4
91.05450	2.0
93.07021	0.9
95.04948	0.5
95.08561	0.8
105.07006	1.8
107.08612	0.6
115.05428	1.1
117.07032	1.2
119.08526	1.2
128.06186	1.0
129.07008	2.2
131.08546	0.6
136.06180	4.3
137.06169	0.5
141.06984	7.7
142.07755	0.6
143.08530	1.5
145.10109	0.7
152.06160	1.1
153.06995	2.1
154.07718	1.2
155.08560	14.0
156.09290	0.8
157.06502	0.8
157.10117	1.4
161.05904	0.8
165.06981	4.9
166.07776	1.5
167.08577	10.8
168.09285	1.2
169.06512	0.8
169.10143	5.3
171.08151	0.5
178.07771	7.0
179.08563	13.3
180.09326	2.3
181.06587	0.6
181.10118	4.5
182.10886	1.9
183.08041	1.5
183.11673	1.7
185.09550	0.5
191.08549	7.2
192.09334	20.5
193.10126	22.5
194.10811	3.0
195.08006	1.2
195.11743	2.3
196.08757	0.9
196.12434	1.0
197.09584	1.5
197.13280	6.0
199.07567	0.6
205.10194	2.5
206.10913	16.6
207.11690	57.8
208.12402	11.1
209.09644	1.7
209.13260	3.7
210.10431	0.9
210.13492	0.7
211.07544	1.9
211.11176	1.3
211.14783	1.4
213.09209	0.5
219.08138	0.8
220.12531	0.7
221.13263	26.7
222.13855	3.7
223.11113	1.3
223.14801	2.9
224.11815	0.8
224.15460	0.9
225.09283	6.0
225.12744	20.3
226.13120	0.8
231.11575	0.6
234.10321	0.9
237.09142	1.9
237.12807	0.7
238.09944	0.7
239.10683	0.6
239.14268	3.3
249.12700	4.4
249.16441	0.7
252.09259	1.4
252.11465	2.6
252.14413	0.6
253.12279	1.2
267.13837	100.0
267.17245	8.9
267.21030	2.8
268.14297	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69655	1.9
55.05505	2.7
57.03431	1.9
67.05513	4.6
69.03436	5.7
69.07062	6.3
71.05002	2.6
71.30004	2.7
74.06084	2.6
79.05486	2.6
81.07059	3.7
84.04522	2.0
84.08139	2.6
85.02909	13.1
87.08113	11.6
91.05507	3.6
93.07063	3.8
95.08614	4.3
97.06510	1.8
105.07030	7.4
106.26609	2.0
107.08646	3.5
108.04549	1.9
109.06497	1.9
117.07050	2.3
119.08540	2.2
120.08112	1.9
121.02881	3.7
121.06515	2.2
122.07175	4.6
124.07618	1.9
127.03924	2.9
131.08510	2.1
133.10120	3.2
134.76166	2.0
135.08046	2.8
136.06192	19.8
136.07249	2.1
136.07634	2.3
137.06044	2.1
143.08540	3.2
145.04970	2.3
145.10150	2.8
151.03891	1.9
159.08075	3.1
161.06049	4.0
161.09523	2.3
162.05484	2.5
164.07089	4.7
165.06966	2.3
175.11121	2.1
177.07848	22.1
177.09258	2.4
177.11072	3.4
178.09474	2.2
189.09146	2.3
189.12880	2.3
205.10573	5.0
206.11778	100.0
221.06119	2.4
239.06947	2.2
240.82655	1.6
249.12862	2.4
250.14343	15.5
267.06406	2.5
267.09894	4.5
267.13364	7.0
268.15433	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1589
Annotation	Alliacolide
Peak:m/z	Relative Intensity
51.02379	0.6
53.03947	5.4
54.99963	0.4
55.01869	2.2
55.05265	0.8
55.05511	6.4
57.03434	20.6
65.03942	0.9
67.05502	10.7
69.03004	4.3
69.03430	2.7
69.07071	4.0
71.04987	1.5
79.05059	0.9
79.05492	12.2
81.03415	100.0
81.07047	11.1
82.03745	1.6
83.04971	4.6
83.08138	0.9
83.08618	11.9
85.02946	0.7
91.05477	16.5
93.07043	6.6
95.04965	19.3
95.08617	4.9
97.02898	2.5
97.06529	1.3
97.10168	1.8
99.08101	0.5
105.04465	0.6
105.07024	12.7
107.04955	3.4
107.08593	2.6
109.06501	2.8
109.10155	1.1
111.04451	1.5
111.08083	5.6
115.05434	1.0
115.37730	0.4
117.07033	1.3
119.04911	0.5
119.08581	13.7
121.06521	2.5
121.10127	4.7
123.08084	1.2
123.11707	0.6
128.06256	0.9
129.06985	7.7
131.08565	7.1
133.06482	2.3
133.10149	3.9
135.08047	0.6
137.09608	1.6
142.07787	1.5
145.10107	1.2
147.08025	2.5
147.11673	7.5
149.09598	3.5
149.11273	0.5
157.08868	0.9
157.10112	8.2
163.11090	0.6
164.83981	0.4
165.12776	1.3
175.11160	8.6
193.12236	15.7
194.12529	0.5
205.12241	0.6
211.13318	2.2
249.14865	0.8
267.15894	37.1
268.16220	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.159
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03949	4.3
55.05518	5.9
57.03442	16.9
60.73225	1.5
61.65353	1.5
67.05507	13.4
67.33045	1.5
67.91490	1.5
69.03446	3.4
69.07064	2.2
71.05011	2.1
71.24242	3.4
74.91483	1.6
79.05499	13.3
81.03422	100.0
81.07058	12.6
83.04981	5.2
83.08630	8.9
91.05482	15.8
93.07056	7.3
95.04982	19.2
95.08638	4.0
97.06550	2.0
105.07030	14.8
107.04958	4.3
111.08096	5.1
119.08590	10.5
121.06498	2.9
121.10136	5.3
128.06244	1.8
129.07036	6.8
131.08578	5.1
133.10152	3.1
140.38646	1.6
142.07774	2.6
147.08069	1.9
147.11714	5.5
149.09631	3.8
151.88005	1.6
157.10164	10.2
164.99799	1.6
165.12733	2.3
175.11234	6.1
190.91029	1.6
193.12260	14.8
211.13307	2.0
247.03801	1.9
267.06476	2.5
267.15912	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.159
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
51.02153	0.4
51.02383	0.5
53.03946	4.0
55.01870	2.5
55.05511	7.5
57.03438	18.2
65.03935	0.6
67.05508	12.2
69.03432	2.0
69.07071	3.0
69.13604	3.8
71.04996	1.1
79.05491	11.1
81.03416	100.0
81.07053	12.1
82.03754	1.6
83.04974	5.1
83.08617	13.2
85.06550	0.6
91.05484	18.1
93.07056	5.7
95.04968	22.0
95.08600	4.2
97.02906	1.8
97.06542	1.2
97.10174	1.6
99.08106	0.5
103.05429	0.6
105.07032	12.5
107.04943	4.5
107.08590	3.6
109.06515	2.9
109.10159	1.8
111.04452	1.4
111.08073	5.9
115.05439	1.5
117.06984	1.5
119.08578	10.7
121.06503	2.2
121.10149	4.2
123.08075	1.5
123.11656	0.6
125.09614	0.6
128.06207	1.1
129.06999	7.1
131.08557	8.1
133.06519	3.1
133.10143	4.3
134.52151	0.4
136.06187	1.4
137.09634	1.3
142.07770	2.5
145.10117	1.6
147.08046	2.2
147.11676	6.5
149.09627	4.1
155.08553	0.5
157.10118	9.4
163.11157	1.0
163.73410	0.4
165.12761	1.5
167.08473	0.5
169.10165	1.1
175.11182	8.9
181.10109	0.5
193.12230	15.6
194.12680	0.6
195.11638	0.5
197.13205	0.5
205.12177	0.9
207.11787	2.4
211.13232	1.8
225.12679	1.1
237.15051	0.6
249.14847	1.4
267.06503	1.0
267.15848	32.2
267.20914	1.7
268.16232	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42596	0.6
53.03952	3.6
55.01868	2.2
55.05510	8.7
57.03439	22.3
58.71539	0.6
65.03934	1.4
67.05177	1.0
67.05505	13.8
69.03416	3.3
69.06724	0.5
69.07053	3.5
69.50568	3.7
71.01366	0.8
71.04984	2.6
74.91711	0.6
79.05061	1.2
79.05492	15.7
81.03416	100.0
81.07055	16.2
82.03757	1.4
83.04962	6.3
83.08622	13.4
85.02908	0.9
85.06545	1.5
91.05478	19.7
93.07046	9.3
95.04968	23.6
95.08605	6.9
96.05330	0.8
97.02905	2.1
97.06528	3.3
97.10156	1.7
99.08080	0.9
105.03390	1.4
105.07031	16.8
106.07401	0.7
107.04963	4.9
107.08578	5.8
109.06525	5.4
109.10147	2.7
111.04437	1.5
111.08090	5.4
113.05976	0.6
115.05466	1.2
117.07020	1.5
119.08581	15.5
121.06496	1.7
121.10162	6.0
123.08068	2.2
123.11705	1.2
125.05978	1.0
125.09647	0.8
127.07542	0.6
128.06285	0.7
129.07019	8.2
131.08560	8.8
133.06525	3.3
133.10135	5.3
135.08096	1.3
136.06157	1.2
137.09645	1.4
142.07797	2.1
143.08516	1.3
145.10114	2.6
147.08078	2.9
147.11691	9.2
149.09576	4.2
151.07552	0.7
153.05449	2.1
157.10115	8.0
158.10527	0.7
159.08052	0.6
159.11769	0.7
161.09628	1.2
163.11188	1.5
165.12738	2.8
175.11172	8.8
176.87973	0.7
185.13356	1.0
193.12251	15.6
194.12639	0.8
197.04465	1.1
205.12306	1.1
211.13261	2.7
224.08505	0.7
224.29842	0.7
231.13828	1.3
249.14836	3.9
267.10059	1.4
267.15894	44.4
268.16235	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
52.42596	0.6
53.03952	3.6
55.01868	2.2
55.05510	8.7
57.03439	22.3
58.71539	0.6
65.03934	1.4
67.05177	1.0
67.05505	13.8
69.03416	3.3
69.06724	0.5
69.07053	3.5
69.50568	3.7
71.01366	0.8
71.04984	2.6
74.91711	0.6
79.05061	1.2
79.05492	15.7
81.03416	100.0
81.07055	16.2
82.03757	1.4
83.04962	6.3
83.08622	13.4
85.02908	0.9
85.06545	1.5
91.05478	19.7
93.07046	9.3
95.04968	23.6
95.08605	6.9
96.05330	0.8
97.02905	2.1
97.06528	3.3
97.10156	1.7
99.08080	0.9
105.03390	1.4
105.07031	16.8
106.07401	0.7
107.04963	4.9
107.08578	5.8
109.06525	5.4
109.10147	2.7
111.04437	1.5
111.08090	5.4
113.05976	0.6
115.05466	1.2
117.07020	1.5
119.08581	15.5
121.06496	1.7
121.10162	6.0
123.08068	2.2
123.11705	1.2
125.05978	1.0
125.09647	0.8
127.07542	0.6
128.06285	0.7
129.07019	8.2
131.08560	8.8
133.06525	3.3
133.10135	5.3
135.08096	1.3
136.06157	1.2
137.09645	1.4
142.07797	2.1
143.08516	1.3
145.10114	2.6
147.08078	2.9
147.11691	9.2
149.09576	4.2
151.07552	0.7
153.05449	2.1
157.10115	8.0
158.10527	0.7
159.08052	0.6
159.11769	0.7
161.09628	1.2
163.11188	1.5
165.12738	2.8
175.11172	8.8
176.87973	0.7
185.13356	1.0
193.12251	15.6
194.12639	0.8
197.04465	1.1
205.12306	1.1
211.13261	2.7
224.08505	0.7
224.29842	0.7
231.13828	1.3
249.14836	3.9
267.10059	1.4
267.15894	44.4
268.16235	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1039
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01863	0.4
56.36706	0.1
57.03436	0.7
67.49250	0.2
69.03432	0.2
70.75166	0.4
71.01350	0.2
73.02915	0.3
83.82254	0.2
85.02907	0.4
93.82177	0.1
94.04041	0.5
104.79271	0.1
111.03989	0.1
115.03900	0.3
119.03542	0.8
133.04945	0.2
133.86234	0.1
136.06180	100.0
136.22714	0.2
137.04567	0.5
137.06645	1.3
195.11607	0.1
206.11804	0.2
222.41849	0.2
263.02814	0.4
268.10397	5.6
269.10587	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1545
Annotation	(+)-Codonopsine
Peak:m/z	Relative Intensity
55.01870	0.3
58.06600	0.5
69.80448	0.9
84.08150	2.4
84.30379	0.2
85.02888	0.3
91.05502	0.6
107.04961	0.4
121.06514	0.4
123.04398	0.4
128.06200	0.7
131.08553	0.7
136.06194	18.9
137.05980	0.4
143.08575	2.1
145.06439	0.3
147.04456	0.4
147.05817	0.3
149.04860	0.3
149.06001	0.8
159.08104	1.4
160.05214	1.2
160.11237	1.1
161.06000	2.5
162.05531	1.1
164.07074	3.5
171.08049	2.2
174.06720	0.4
176.07089	0.5
177.07858	24.9
177.08969	1.0
178.08389	0.8
188.10735	2.3
189.09138	2.1
190.08562	0.3
204.10184	0.4
206.11775	100.0
207.12111	3.3
222.11188	0.3
250.14406	17.9
251.14816	0.6
263.02792	0.6
268.10590	0.9
268.15451	23.2
269.15781	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37934	1.1
55.93530	1.7
57.03439	1.4
58.89023	1.0
69.03459	1.8
71.30480	1.2
83.06101	1.3
85.02900	1.2
94.93057	1.9
103.03946	1.6
110.07179	4.8
113.00919	1.4
121.02868	2.4
126.48214	1.2
131.01926	7.9
134.96106	7.3
136.06190	100.0
137.05605	2.0
137.06616	21.4
138.05489	2.2
139.05873	1.8
149.02948	2.3
155.06633	1.7
164.93515	9.0
173.07761	1.7
178.95155	3.7
188.93576	2.8
197.08823	2.4
213.00031	1.5
215.09933	1.9
233.03021	2.6
250.93463	1.9
251.04073	1.3
268.10455	4.2
268.94669	14.8
268.97891	8.8
269.04755	1.6
269.10806	5.6
287.58191	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9823
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13511	1.8
66.94232	1.8
68.44239	1.8
69.75874	7.8
126.55267	1.7
136.93993	9.2
162.95590	4.5
227.53984	2.1
268.98227	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20705	0.4
65.73706	0.4
69.19960	0.3
70.69225	0.6
70.69553	0.6
86.60647	0.4
96.37241	0.4
104.99273	100.0
105.07104	0.4
105.14811	0.4
105.99574	0.5
186.99553	17.0
239.97087	0.4
248.07603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1536
Annotation	4,4'-(2-Ethyl-1-butenylidene)diphenol
Peak:m/z	Relative Intensity
53.03951	0.2
55.01849	0.2
55.05492	0.7
57.07072	0.2
60.64312	0.2
61.64040	0.1
64.06852	0.2
67.05486	0.7
69.07069	0.9
69.40091	1.0
71.04964	0.2
79.05501	0.9
81.07058	1.6
83.08591	0.3
85.06523	0.6
89.53318	0.2
91.05474	1.4
93.07020	0.7
95.04955	0.2
95.08604	0.9
98.23335	0.3
103.05517	0.2
105.07016	1.7
107.08613	0.9
109.06488	0.2
109.10084	0.4
115.05457	0.3
116.95248	0.2
117.07009	0.7
119.08583	0.9
121.06496	0.3
121.10112	0.3
123.11653	0.2
124.35886	0.2
128.06187	1.2
129.07021	1.3
131.08578	1.0
133.10098	0.4
141.06979	2.3
142.07788	1.3
143.08562	4.0
145.06448	0.2
145.10110	0.6
147.11682	0.4
149.05928	0.2
152.06180	0.9
153.05870	0.2
153.07002	2.1
154.07774	2.7
155.08562	3.2
156.09218	0.7
157.09071	0.2
157.10136	2.7
159.08011	0.2
159.11629	0.3
161.13197	0.3
163.07567	0.3
165.06981	4.1
166.07794	2.4
167.08557	5.9
168.09312	1.4
169.10126	27.6
170.10684	1.3
171.08046	2.0
171.11662	0.9
172.08377	0.2
173.13251	0.3
178.07735	1.0
179.08546	8.9
180.09332	4.2
181.10124	11.9
182.10843	1.2
183.08057	0.4
183.11702	1.2
184.08789	0.3
184.12445	0.4
185.09616	1.5
185.13341	0.4
192.09261	0.4
193.10129	6.2
194.10902	8.1
195.11688	37.2
196.08911	0.2
196.12276	3.1
197.09637	0.6
197.13197	0.7
198.10385	0.4
199.07500	0.3
199.11191	0.5
199.14838	0.7
200.08206	0.2
201.09084	0.4
203.08424	0.2
206.10738	0.2
207.11691	1.7
208.12456	3.7
209.09671	1.0
209.13254	25.2
210.14023	17.1
211.07448	0.2
211.11108	0.3
211.14510	0.6
213.09084	3.4
213.16325	0.4
214.09915	1.5
218.10973	0.3
221.09676	0.2
223.14821	10.2
224.15234	1.0
225.09148	0.2
225.12859	0.4
225.16258	0.3
226.09833	0.6
227.10728	2.4
227.14302	1.8
227.17874	0.3
233.13226	0.3
235.59348	0.2
236.11888	0.5
239.08510	1.1
239.10684	0.8
240.09242	0.7
241.10124	0.2
241.12302	0.3
241.15858	0.6
251.14355	1.3
253.09959	0.9
254.10783	1.5
254.13025	2.8
255.11501	0.4
269.15369	100.0
269.22696	2.2
270.10068	0.3
270.15878	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82466	1.5
52.98375	1.4
53.03935	4.9
55.01871	3.1
55.05513	25.0
57.03437	34.5
57.07071	3.1
65.03926	2.3
67.05503	73.7
69.07065	26.6
71.04994	6.8
71.08627	1.4
71.30833	2.5
79.05492	47.7
81.03398	2.6
81.07056	100.0
82.07367	1.7
83.04980	11.6
83.08618	19.9
85.06538	5.9
91.05474	28.8
93.07043	69.9
95.04950	7.0
95.08606	27.6
97.06530	15.8
97.10194	2.3
99.08075	2.6
105.04539	1.6
105.07025	14.6
105.18533	1.2
107.04935	1.7
107.08592	38.2
109.06512	3.1
109.10161	8.4
111.08084	8.7
113.06010	1.8
117.07030	13.6
119.08574	5.6
121.06499	1.8
121.10146	22.3
123.11690	4.2
129.07004	2.1
131.08563	13.5
133.10101	16.1
135.08046	3.3
135.11722	11.9
143.08554	4.3
145.10118	5.5
147.11606	3.6
149.09636	2.0
149.13257	40.5
155.08482	1.7
157.10112	5.0
159.11691	24.8
161.13280	3.2
165.07039	1.4
167.08649	1.6
167.14207	1.8
169.10161	1.7
171.04433	1.4
171.11684	4.2
173.13258	3.3
175.14853	1.6
177.12761	9.7
181.10104	1.9
185.13280	2.3
187.14821	2.4
195.11978	2.2
195.13799	12.5
198.03526	1.4
199.14827	3.5
209.13229	2.5
213.16434	2.7
222.99039	1.6
226.07817	2.0
227.18048	2.0
239.08551	3.6
240.09128	1.6
241.12306	2.0
253.10164	4.7
254.10857	6.2
255.11617	2.4
268.12106	1.9
269.04431	1.8
269.09518	2.8
269.13132	15.9
269.17508	48.9
269.22516	22.1
270.13892	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.8
55.01856	2.5
55.05515	21.7
57.03440	27.4
57.07059	3.3
65.03930	2.9
67.05505	74.6
69.07063	25.2
69.13227	1.7
70.53825	3.2
71.04992	5.5
75.20219	1.5
79.05062	3.3
79.05495	42.5
79.05955	2.6
81.03407	3.5
81.07057	100.0
82.46067	1.4
83.04979	12.7
83.08615	17.2
85.06566	7.4
88.10522	1.6
91.05483	30.7
93.07046	62.5
95.04967	7.2
95.08604	21.5
97.06538	15.4
97.10171	2.2
98.23361	1.9
98.28345	1.3
99.08105	4.4
100.41496	1.3
105.07055	10.1
107.08591	30.1
107.24227	1.9
109.06504	5.9
109.10161	5.6
110.02047	1.6
111.08085	9.8
115.05474	2.9
117.07021	9.8
119.08598	4.7
121.06468	2.8
121.10133	20.4
123.11702	3.6
128.06219	4.1
129.06984	2.5
131.08574	13.7
133.10132	14.3
135.08018	3.4
135.11673	13.2
136.06177	4.7
141.06985	2.3
143.08603	4.3
147.11784	1.9
149.09601	4.0
149.13252	34.5
151.11197	3.0
157.06502	1.9
159.08098	2.2
159.11705	24.0
165.06995	3.0
166.07732	1.9
167.14354	1.7
169.10185	2.3
170.07272	2.7
171.08076	13.8
177.12784	12.6
179.08537	1.7
181.10164	2.4
183.07990	2.4
195.08044	2.2
195.13818	14.4
208.08694	2.4
209.09605	3.8
209.11560	1.7
209.13373	2.9
210.10287	1.6
213.14798	1.8
223.11176	4.3
227.06940	2.1
239.08534	6.5
240.09085	1.6
248.22635	1.8
251.10640	5.9
251.19588	1.7
253.10069	4.3
254.10887	6.2
255.08083	1.8
269.09573	26.7
269.12970	8.8
269.17557	47.1
269.22589	4.7
270.10312	5.3
270.13367	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03949	4.6
55.05511	48.7
57.03445	23.7
57.07074	6.7
57.67344	2.4
59.05008	14.7
61.68086	2.5
67.05507	63.6
69.03428	6.8
69.07069	31.5
71.05001	6.0
71.29073	4.5
79.05491	34.1
81.07057	100.0
83.04995	19.4
83.08628	15.4
85.06541	7.2
87.30441	2.8
91.05470	34.4
93.07038	68.1
95.04951	7.7
95.08607	44.1
97.06517	12.5
97.10168	4.2
99.08090	7.2
100.45342	2.5
101.06025	38.6
105.07038	32.3
107.08596	60.3
109.06529	6.4
109.10173	17.2
111.08089	9.8
117.06998	15.0
119.08578	26.0
121.06470	8.6
121.10146	21.8
123.10815	3.5
123.11708	49.1
125.05987	3.3
125.09615	4.1
127.07540	7.9
129.05489	12.0
129.06989	3.4
131.08562	29.0
133.10129	27.9
135.08101	4.5
135.11697	16.0
137.09662	3.5
139.07513	3.4
143.08554	10.3
145.10124	18.7
147.06656	2.7
147.11688	11.2
149.09714	3.8
149.13263	35.7
151.11214	3.7
153.09125	2.9
155.08498	3.5
156.09229	3.2
157.10098	11.6
159.11679	30.8
161.13271	12.0
163.14899	4.9
165.09029	3.1
169.10083	3.2
171.11650	16.9
173.13269	27.9
175.14729	3.0
177.09125	5.1
177.12767	10.0
177.16403	3.5
183.07950	3.6
183.11613	2.8
185.13231	9.3
187.14830	12.2
191.14240	14.5
195.11649	6.7
195.13860	7.1
199.14790	8.2
205.16017	4.6
209.13213	3.7
213.16365	14.4
213.18335	2.9
215.14281	5.5
223.11261	3.5
227.17894	8.1
233.15398	15.5
239.08501	5.4
251.16365	7.0
254.10818	6.8
269.09387	8.7
269.13391	16.8
269.17447	34.2
269.22586	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.3
55.01864	4.0
55.05511	19.0
56.05853	1.2
57.03439	38.2
57.07061	5.2
65.03931	2.0
67.05505	81.4
69.01260	10.5
69.07069	33.6
69.24674	1.0
71.01335	1.2
71.04998	7.2
71.08627	1.7
79.05494	53.0
81.03419	1.7
81.07058	100.0
82.07398	1.3
83.04990	11.9
83.08618	20.2
83.79024	1.2
85.06535	4.5
91.05480	25.1
93.07044	75.1
94.07389	1.7
95.04975	7.9
95.08041	2.0
95.08609	25.1
97.06535	15.6
97.10160	3.2
98.22609	1.8
99.04472	1.5
99.08083	4.2
105.07025	7.4
107.08598	37.5
109.06538	3.1
109.10162	5.4
111.08082	9.4
113.09629	2.2
117.07005	10.7
119.08551	4.3
121.06512	1.7
121.10141	23.4
123.11681	1.4
125.05949	1.5
129.06973	1.7
131.08565	11.2
133.10129	8.7
135.08000	2.3
135.11700	11.1
136.06168	2.7
137.06602	1.5
139.11185	2.6
147.11743	2.7
149.09605	1.5
149.13258	50.9
150.13499	1.6
151.11154	1.9
158.56247	1.2
159.11691	21.4
167.14366	1.5
174.21844	1.1
177.12753	11.8
195.13797	16.3
211.10905	1.1
213.09195	1.2
269.08139	2.3
269.11435	2.2
269.12738	1.7
269.17487	39.9
269.22507	2.3
270.08844	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03944	4.3
55.01862	3.3
55.05513	19.8
57.03156	1.7
57.03439	40.3
57.07066	3.9
67.05505	75.3
69.07068	32.0
69.08244	8.5
71.04986	6.1
71.08618	1.0
79.05495	50.2
81.03418	3.0
81.07057	100.0
83.04993	11.4
83.08620	19.4
85.06529	6.2
91.05481	25.2
93.07045	69.7
94.07356	1.1
95.04974	6.8
95.08611	25.1
97.06525	14.1
97.10146	2.5
99.04492	1.4
99.08092	2.9
105.04543	1.3
105.07031	9.6
107.08597	37.3
109.06509	3.8
109.10156	4.3
111.08080	11.3
111.11685	1.5
113.06033	1.8
117.07010	7.6
119.08567	2.9
120.93633	1.0
121.06522	1.8
121.09293	1.5
121.10143	23.1
123.08105	1.2
123.11692	2.9
125.09608	1.0
131.08583	9.7
133.10135	10.1
135.08076	2.5
135.10980	0.9
135.11699	10.6
136.06177	1.2
139.11182	2.5
147.11693	2.4
149.13261	54.2
151.11224	1.2
153.09064	1.1
159.11693	20.1
167.14281	2.4
177.12735	9.2
195.07965	1.8
195.13853	11.7
213.09198	1.8
269.07864	1.7
269.11514	1.4
269.14798	2.3
269.17493	41.3
269.22867	3.4
270.17950	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.81423	1.1
52.37986	1.1
53.03938	2.6
55.01854	3.9
55.05512	24.0
57.03436	41.8
57.07061	4.7
61.68944	1.0
61.90967	1.0
65.03931	2.8
65.83104	1.0
67.05504	84.8
68.05807	1.6
69.07068	35.3
71.01362	1.0
71.04995	6.4
71.30322	1.5
73.02959	1.3
74.82423	1.1
79.05490	51.9
81.03425	2.9
81.07056	100.0
82.07378	1.3
83.04982	10.3
83.08614	17.5
85.06532	4.9
91.05482	25.5
93.07042	72.3
95.04959	7.7
95.08603	28.3
97.06528	16.5
97.10173	1.7
99.08091	4.4
105.04533	1.1
105.07038	10.1
107.08590	37.2
109.06494	4.3
109.10172	4.9
111.08076	12.4
111.11690	1.9
113.05978	1.5
113.09647	1.9
117.07016	8.8
119.08570	2.5
121.06516	5.4
121.10143	26.9
123.11709	2.1
125.09673	1.2
127.07566	1.4
129.06973	1.2
131.08566	11.0
133.10118	9.0
135.08034	3.4
135.11673	15.0
137.05934	1.5
139.11143	3.5
143.08459	1.2
145.10168	1.2
147.11676	3.1
148.05153	4.1
149.09665	1.2
149.13255	53.0
149.51396	1.0
150.13551	1.8
157.10158	1.7
159.11702	19.2
161.13297	1.7
166.06227	4.1
167.14371	2.4
167.15744	1.0
173.09630	1.4
177.12750	9.2
181.08609	22.9
187.11163	1.2
195.13811	11.2
209.11470	1.2
251.16513	2.8
269.07770	1.3
269.11362	1.4
269.17444	39.6
269.22314	1.9
269.26752	1.5
270.17734	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03938	4.6
54.67810	1.0
55.01859	3.6
55.05515	22.9
57.03439	32.0
57.07068	4.8
64.36348	1.1
65.03931	2.6
65.81974	1.3
67.05505	82.3
69.03030	2.8
69.03428	12.7
69.07066	25.9
71.04996	6.9
79.05492	56.6
81.03415	3.9
81.07056	100.0
82.07386	2.8
83.04986	9.1
83.08620	21.4
85.06544	5.9
90.01379	1.0
91.05480	30.5
93.07043	71.9
94.21229	1.1
95.04978	5.9
95.08607	30.7
97.06536	17.5
97.10160	1.9
99.08096	3.6
105.04501	2.0
105.07029	13.1
107.04993	1.5
107.08593	37.2
109.06516	3.9
109.10138	5.4
111.08093	6.7
113.06030	1.3
117.07038	12.2
119.08578	4.9
121.06448	1.8
121.10147	16.5
123.11712	4.3
125.09627	1.2
129.06967	1.8
131.08577	11.9
133.10129	14.2
135.08022	2.5
135.11687	13.5
143.08598	1.2
147.11722	2.7
149.13258	40.6
151.11188	3.0
153.09042	1.0
157.10132	1.6
159.05600	1.1
159.11688	20.1
162.95100	1.1
167.14384	1.7
167.30583	1.1
167.32205	1.0
177.12758	10.3
179.14270	1.5
195.13800	12.9
209.13153	1.4
213.14743	1.8
239.08586	3.1
253.09985	2.3
254.10832	2.8
269.09723	2.3
269.13336	6.8
269.17493	49.3
269.22522	3.0
270.17740	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Plucheinol
Peak:m/z	Relative Intensity
53.03952	1.1
54.94327	0.6
55.01866	1.0
55.05528	3.2
57.03430	1.3
65.03943	0.6
66.16976	0.6
67.05502	4.0
69.03425	1.8
69.07063	3.4
69.33463	4.1
70.55785	0.6
71.01348	0.6
71.04984	1.9
71.83529	0.7
72.34675	0.6
79.05508	4.6
79.05893	0.7
81.07059	21.3
83.04971	4.7
83.08588	1.0
85.06510	1.2
90.63476	0.6
91.05474	9.2
93.07050	12.3
95.04957	2.7
95.08607	5.2
97.06551	1.8
98.92329	0.6
99.04456	0.9
105.07031	21.2
107.04935	1.1
107.08600	7.0
108.69012	0.6
109.06507	5.3
109.10152	2.7
111.04459	1.4
111.08055	1.9
113.05979	1.0
115.05471	1.2
117.07006	4.0
119.07775	1.1
119.08578	14.2
121.06528	5.3
121.10147	13.5
123.08070	3.0
125.06030	1.3
125.09615	1.5
127.07574	4.6
128.06184	1.1
129.07022	3.3
130.07800	0.8
131.08578	9.3
133.06416	1.6
133.10130	12.3
135.08022	3.6
135.11707	1.9
137.06001	1.7
137.09602	1.5
139.07547	1.4
139.11124	3.7
141.06964	1.2
142.07791	3.6
143.08566	3.6
145.06479	1.5
145.09004	1.1
145.10124	16.0
147.08051	2.9
147.11690	16.7
149.02336	1.5
149.05931	0.8
149.09630	5.3
149.13257	1.7
149.91206	0.7
151.07501	1.0
151.11172	1.8
153.09148	0.9
155.08549	2.3
156.09352	3.8
157.10150	7.9
158.07387	0.8
158.10808	1.0
159.08092	4.0
159.11705	5.4
160.08856	1.5
161.09625	6.7
161.13275	4.5
163.03979	0.8
163.11177	1.5
163.14847	1.5
167.03384	1.6
167.08524	1.5
169.10139	2.5
171.11694	2.4
173.09639	7.6
173.13268	4.2
174.10378	1.4
175.11192	18.3
175.14825	2.5
177.05460	1.5
177.12724	2.1
177.16353	0.9
179.10683	5.7
182.10954	1.4
185.09618	0.8
187.11179	3.6
187.14813	7.1
189.12738	2.8
191.10651	1.4
191.14337	1.4
193.12242	24.8
197.13258	2.8
200.11954	1.0
203.14314	10.2
205.15907	2.7
207.13797	3.9
214.86903	0.7
215.14325	13.2
220.14661	1.1
221.15428	1.5
233.15421	9.8
251.16432	100.0
252.16776	3.4
269.08026	2.6
269.12949	0.7
269.17465	9.4
289.04730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2262
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
53.03938	1.1
55.05510	6.0
57.03420	1.2
57.07065	2.3
59.02588	0.5
64.86417	0.6
67.05177	1.1
67.05501	12.0
67.39759	0.5
69.07069	9.3
79.05491	8.2
81.07056	26.4
83.08604	3.6
85.06584	0.6
91.05467	8.6
93.07043	13.5
94.07397	0.7
95.04971	1.0
95.08604	18.2
97.10172	0.9
105.07027	21.2
107.08591	16.0
109.10159	12.7
111.11731	0.8
115.05454	0.6
117.07010	4.3
119.08580	21.7
121.10139	11.8
123.11724	5.6
128.06204	1.7
129.07010	6.6
130.07751	1.6
131.08566	14.9
133.10129	12.3
135.11696	5.8
136.06154	0.6
137.13226	2.0
141.07008	2.0
142.07790	3.8
143.08557	13.1
144.09267	2.2
145.10115	19.4
147.11681	11.1
149.13234	4.3
155.08539	1.8
156.09311	3.0
157.10127	15.6
158.10852	1.8
159.11691	23.1
160.12148	0.6
161.13254	10.9
163.14812	1.4
165.07013	1.2
167.08589	1.4
169.10098	6.8
170.10826	1.8
171.11688	16.9
172.12350	0.8
173.13261	12.4
175.14807	6.7
177.16406	0.9
179.08557	1.4
180.09323	0.9
181.10103	3.0
183.11662	1.9
184.12558	1.2
185.09654	0.8
185.13255	12.6
186.13786	0.8
187.14806	6.6
189.16409	2.1
193.10172	1.3
194.10855	1.4
195.11668	5.4
196.12471	0.8
197.13261	2.0
198.14020	1.3
199.14822	14.5
200.15506	1.5
201.16406	3.1
208.12376	0.8
209.13251	4.7
210.14017	2.5
211.14757	2.4
213.16385	16.6
214.16878	1.5
223.14787	1.9
225.16351	1.0
226.17180	2.2
227.17920	9.9
228.18153	0.7
229.64711	0.7
239.17986	0.6
241.19499	4.5
269.04599	1.1
269.08057	0.8
269.15375	18.2
269.22626	100.0
270.15814	0.8
270.22861	5.0
288.61221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2263
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
50.50240	0.5
53.03937	1.0
55.05505	5.7
57.03430	1.4
57.07071	1.6
57.94956	0.4
67.05505	9.6
69.07063	6.9
71.30198	0.6
79.05491	8.2
81.07056	26.1
82.03719	0.6
83.04973	0.5
83.08610	2.8
91.05481	7.2
93.06468	0.8
93.07041	11.6
95.04949	0.8
95.08599	16.4
97.10145	1.6
99.08104	0.5
103.05451	0.5
105.07028	18.3
107.08593	12.8
109.10152	6.9
115.05387	0.9
117.07028	3.3
119.08578	14.2
121.10133	8.6
122.40166	0.5
123.11716	3.9
128.06198	1.5
129.07013	4.2
130.07776	0.9
131.08563	9.0
133.10143	9.8
135.11673	5.6
137.13255	1.9
141.07001	0.7
142.07771	2.6
143.08551	10.0
144.09322	1.5
145.10109	14.5
147.11699	7.4
148.11978	0.5
149.13280	3.3
155.08546	1.2
156.09328	1.6
157.10118	12.5
158.10884	1.0
159.08063	0.7
159.11685	14.1
161.13255	8.0
163.14754	0.8
169.10124	1.3
170.10890	1.0
171.08069	0.9
171.11679	10.2
173.13255	10.8
175.14854	5.8
181.06468	0.5
183.11716	1.4
184.12457	1.3
185.13255	10.9
187.14809	7.0
189.16403	2.8
195.11566	0.5
197.13220	1.2
198.13988	1.0
199.14821	20.6
200.15486	2.2
201.16386	12.4
209.13245	1.1
211.14774	1.6
212.15550	0.8
213.12788	1.5
213.16370	16.1
214.17004	1.4
225.16437	0.5
226.17175	2.0
227.17937	6.6
237.92844	0.5
239.17876	0.6
240.18573	0.7
241.19463	1.8
268.09027	0.5
269.04462	1.0
269.08047	1.8
269.22629	100.0
270.22986	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2264
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
53.03941	0.9
53.52687	0.5
54.27214	0.6
55.05515	7.0
57.03427	1.0
57.07068	2.5
57.68811	0.5
65.03959	0.6
67.05504	13.6
69.04334	5.8
69.07069	12.9
71.04996	1.3
71.08631	0.8
79.05490	9.0
81.07056	21.5
82.98920	0.6
83.04987	0.9
83.08616	5.3
83.78210	0.5
85.96436	0.7
86.83511	0.6
90.14031	0.6
91.05463	8.3
93.07039	17.5
95.04969	1.4
95.08607	20.8
96.08921	0.8
97.06528	0.9
97.10163	2.0
100.10955	0.6
101.65776	0.8
103.05529	0.7
105.07029	20.5
107.08594	19.1
109.06526	0.7
109.10155	14.5
111.02644	0.9
111.08096	0.7
111.11752	0.7
115.05448	1.2
117.06992	3.3
119.08583	21.3
121.10135	13.6
123.08101	1.0
123.11701	5.4
128.06233	1.3
129.07005	4.8
130.07835	1.3
131.08557	11.0
133.10136	14.0
135.11694	6.8
137.13281	1.4
141.06934	1.6
142.04247	0.6
142.07780	4.3
143.08560	13.6
144.09291	1.3
145.10121	16.4
147.11681	12.2
149.13258	4.5
155.08554	1.9
156.09335	4.0
157.10120	25.1
158.10852	2.6
159.11693	19.1
161.13252	12.6
163.14838	1.8
169.10139	3.5
170.10867	2.1
171.11687	19.5
173.13246	10.5
175.14807	6.8
183.10172	1.2
183.11739	1.7
184.12485	1.4
185.13266	17.0
187.14792	5.7
189.16360	1.9
197.13234	1.8
198.14082	1.1
199.14825	17.2
200.15508	2.7
201.16406	4.2
211.14821	2.6
212.15404	0.8
213.16367	24.0
214.16861	2.0
226.17191	2.2
227.17946	9.5
233.15353	0.8
239.08681	0.8
241.19516	2.5
253.10002	0.8
254.10873	1.3
254.20276	0.7
269.11407	2.0
269.22635	100.0
270.22943	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2264
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
51.70536	0.6
54.21569	0.7
55.05518	6.5
57.03442	1.5
57.07063	3.0
62.52557	0.8
67.05511	10.1
68.95450	0.6
69.07067	11.1
71.29280	1.5
79.05495	7.3
81.07059	21.6
83.04979	0.7
83.08628	3.7
85.10178	0.8
91.05482	6.8
93.07050	14.8
95.04966	0.8
95.08616	16.1
97.06534	1.1
97.10172	1.8
105.07034	20.1
107.08601	15.8
109.10157	10.4
115.05473	1.1
116.06262	0.8
117.07032	4.4
119.08584	20.6
121.10148	14.2
123.11750	4.3
128.06194	1.7
129.07001	4.5
130.07751	1.5
131.08578	10.7
133.10126	12.8
135.11720	4.1
137.13304	1.3
142.07788	3.5
143.08563	14.2
144.09317	2.9
145.10123	25.1
146.10539	0.9
147.11694	11.3
147.12785	1.3
147.83096	0.7
149.13289	4.2
152.06210	0.9
155.08546	2.3
156.09361	4.0
157.10135	22.2
158.10843	1.6
159.11705	23.3
161.13239	8.8
163.14859	1.0
167.08627	1.0
169.10146	2.6
170.10909	1.9
171.11700	17.4
173.13277	10.8
175.14825	6.5
181.10202	1.5
183.11705	1.9
185.13255	14.8
186.13753	1.0
187.14861	7.7
189.16356	2.0
193.10083	0.8
195.11800	0.9
197.13297	1.9
199.14835	15.4
200.15517	2.0
201.16393	7.5
209.13245	2.3
211.07607	0.8
211.14766	1.3
213.16376	20.7
214.16905	0.9
223.14778	1.0
226.17320	0.9
227.17952	8.9
239.08607	1.9
241.19545	2.1
253.10022	1.5
254.10786	3.4
255.11610	1.4
269.07547	1.7
269.09882	1.4
269.12997	6.7
269.15433	4.4
269.22644	100.0
270.13977	2.1
270.22946	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51306	0.7
50.81963	0.7
55.05513	5.8
57.07072	3.3
65.03939	0.8
65.77882	0.6
67.05504	9.3
69.07069	7.7
70.20944	0.6
70.49319	0.6
71.08574	0.8
79.05487	6.3
81.03420	1.0
81.07053	20.8
83.08610	2.0
91.05472	5.6
93.07041	13.3
95.08038	1.2
95.08605	14.3
97.10158	1.8
98.22652	2.2
105.07032	19.4
107.08584	11.4
107.47415	0.6
109.06486	0.8
109.10159	10.8
111.08096	0.7
114.38725	0.6
115.05410	0.8
117.07024	3.7
119.08571	15.4
121.10139	9.5
123.11706	4.7
128.06200	1.8
129.07007	4.5
131.08572	12.2
133.10127	9.4
135.11711	4.5
136.06137	0.7
137.06538	0.8
141.06967	1.1
141.30415	0.6
142.07764	3.7
143.08548	11.6
144.09325	1.1
145.10117	15.3
146.10410	0.7
147.11691	10.9
149.13266	3.7
155.08577	1.0
156.09320	2.0
157.10135	15.1
157.25113	0.6
158.10905	1.1
159.11684	19.2
161.13258	8.1
163.14702	0.8
169.10110	2.2
170.10956	1.2
171.11688	12.7
173.13268	12.5
175.14836	5.2
176.28735	0.7
183.11623	1.4
184.12451	1.1
185.13258	12.4
187.14821	7.7
188.15245	0.7
189.16364	1.4
195.11700	0.9
197.13261	1.6
198.13855	0.8
199.14809	15.7
200.15530	1.4
201.16412	1.8
211.14835	2.0
213.12920	0.9
213.16376	17.8
214.16891	1.1
226.17143	2.0
227.14580	0.7
227.17972	8.6
241.19534	4.4
269.04443	2.7
269.08072	1.8
269.22626	100.0
270.22910	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.5
63.33777	1.7
67.05493	4.3
68.50500	1.9
69.07069	8.0
79.05498	6.6
81.07058	11.6
81.84490	1.9
83.08611	5.3
91.05496	6.1
93.07043	18.2
95.08621	21.9
97.06527	4.4
105.07029	27.1
107.08584	8.6
109.10091	4.7
119.08595	25.1
121.06519	3.9
121.10129	13.8
131.08575	2.3
133.06531	2.1
133.10147	12.2
135.08066	2.4
137.09709	2.3
139.07520	9.9
143.08572	2.2
147.08054	2.1
147.11711	3.4
149.09657	2.0
151.07483	2.8
153.09123	3.1
157.10149	2.6
161.09633	2.8
165.09143	8.7
173.13266	4.4
175.14830	57.4
179.10677	10.4
189.16338	3.8
199.14764	5.1
217.15834	12.9
235.16931	100.0
236.17155	6.7
239.08493	2.5
240.09322	5.7
241.10110	5.1
253.18005	4.4
254.10530	2.2
255.08110	3.1
255.11607	13.7
256.12280	5.8
269.13171	2.6
270.10422	6.3
270.13947	27.0
270.27942	3.6
271.05917	9.6
271.11282	5.4
271.14777	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.06
Annotation	5,7,3'-Trihydroxyisoflavone
Peak:m/z	Relative Intensity
55.01869	1.8
62.34439	0.6
65.03941	3.1
68.99790	8.9
69.08723	4.0
69.09136	1.0
81.07039	1.0
91.05472	9.8
95.04966	0.7
97.02830	0.7
103.05470	0.8
107.04958	5.4
111.00810	1.0
115.05453	2.0
117.07014	1.0
119.04933	4.7
119.08630	0.6
121.02867	15.2
122.83184	0.6
128.06172	1.1
129.07001	1.3
131.04901	3.0
131.08513	1.5
133.02898	0.6
134.03592	0.6
137.05991	5.7
141.06979	7.0
143.08450	0.7
144.05659	1.0
145.02838	2.6
145.06482	2.6
145.77145	0.6
147.04396	3.0
147.08020	3.7
149.02335	88.9
150.02742	1.8
152.06229	1.3
153.01817	18.0
153.07005	2.5
155.04886	0.9
155.06036	0.9
157.06485	2.1
159.04419	3.9
159.08046	1.8
165.01857	1.2
167.03346	0.8
168.05705	0.8
169.06477	11.5
169.07759	1.0
173.05977	3.3
175.07727	0.7
181.06468	2.6
183.04521	1.1
183.08064	0.9
185.05948	1.6
187.03889	3.0
187.07515	3.3
197.05972	14.2
199.07489	2.2
200.04631	0.8
201.05504	1.3
203.07047	1.3
213.05446	1.5
214.06204	0.6
215.07022	100.0
216.07384	3.0
225.05484	3.5
227.07021	1.4
229.04991	2.2
243.06519	76.0
244.06810	2.7
253.04936	3.7
271.06003	76.4
272.06357	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0599
Annotation	Thunberginol A
Peak:m/z	Relative Intensity
53.03933	0.8
53.68247	0.5
53.80882	0.6
55.01863	2.0
57.55008	0.5
61.66024	0.5
65.03928	3.0
66.92989	0.5
67.01871	1.0
67.96021	0.6
68.99783	10.9
69.03416	0.9
71.30608	0.8
78.25628	0.6
79.05492	0.6
81.03398	0.8
81.07052	0.8
83.04993	0.7
86.54153	0.5
89.34099	0.6
91.05474	11.5
92.36967	0.5
92.43772	0.6
93.03389	0.6
93.07035	0.6
95.01344	0.8
95.17712	0.5
100.49541	0.6
103.05458	0.8
105.06995	0.7
107.04948	6.9
109.02872	0.7
111.00784	1.9
115.05416	2.7
117.07041	1.2
119.04946	4.7
119.08546	0.9
121.01978	0.9
121.02859	17.0
128.06241	1.7
129.07007	1.3
131.04941	3.5
131.08562	1.4
132.04486	0.7
133.02831	1.3
133.06435	0.6
134.03682	0.6
135.04417	1.4
141.06975	10.2
144.05702	1.9
145.02818	3.1
145.06473	2.9
145.10266	0.6
147.04385	4.3
147.08075	3.0
149.02333	87.7
150.02696	1.2
152.06230	2.9
153.01830	19.2
153.05878	0.7
153.06967	3.2
155.04892	1.8
155.08595	0.6
157.06470	2.9
159.04390	5.6
159.08041	2.1
161.06007	1.2
165.01863	1.3
165.06999	3.1
167.03397	0.7
168.05719	0.9
169.06476	14.3
170.06885	0.9
173.05974	5.8
181.06482	3.2
182.07085	0.7
183.04454	2.7
183.08067	1.8
185.05959	3.3
187.03891	5.5
187.07529	3.8
193.06622	0.7
197.05963	16.9
198.06633	1.6
199.07527	1.4
200.04626	0.7
201.05438	4.9
203.06998	1.6
211.03935	0.8
211.07507	2.2
213.05431	1.5
215.07016	100.0
216.07385	3.3
220.70816	0.6
221.05905	1.3
225.05452	5.1
225.09111	0.8
227.06778	0.7
228.07755	0.7
229.04898	4.8
239.07028	1.4
240.07967	0.6
243.06511	71.8
244.06873	2.4
253.04932	7.0
253.08734	0.7
256.07123	1.1
271.05994	80.2
271.09415	5.0
272.06290	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81739	1.4
53.03712	1.8
53.03947	18.2
55.05509	4.1
57.03429	4.0
66.27162	1.3
67.05504	4.4
69.03429	78.3
69.07067	4.8
71.05000	11.3
71.30270	2.4
73.02917	19.2
73.78999	1.3
78.12313	1.3
78.53165	1.6
79.05500	3.6
81.03421	51.2
81.07043	9.0
83.04969	1.9
85.02911	37.6
87.04465	3.3
91.05473	4.0
93.07060	4.1
95.08607	10.4
97.02897	30.0
99.04456	73.4
101.02377	2.3
103.03949	4.2
105.07035	7.0
107.08618	4.1
109.02881	86.7
109.10162	6.2
113.71435	1.5
117.06984	2.0
119.08585	7.4
121.10168	4.9
123.11708	2.2
127.03916	100.0
131.08543	2.9
133.10106	7.3
135.11621	1.5
143.08600	2.4
144.09201	1.5
145.04971	6.1
145.10138	5.1
147.11690	3.9
149.13284	3.0
157.10144	3.4
159.11702	6.2
161.13286	5.6
163.14818	1.7
166.71034	1.5
169.04904	1.7
169.10133	4.1
171.11662	4.3
172.12521	1.7
173.13243	4.0
175.14822	2.8
177.58481	1.9
181.85385	1.5
183.11719	2.4
187.14706	1.7
189.16408	1.6
201.16451	2.6
211.14853	2.8
215.17973	2.2
226.98045	1.4
227.08719	1.6
229.19397	1.4
241.10120	5.4
242.10934	1.8
243.11845	2.2
253.07086	5.1
255.11816	2.7
256.12503	11.1
256.97620	1.6
271.05844	4.3
271.08347	16.5
271.11258	2.8
271.14435	19.0
271.17035	8.6
271.20679	4.3
271.24170	18.0
283.31531	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	21.0
54.13577	1.2
55.01870	1.5
57.03439	3.5
67.05518	1.4
68.78619	1.2
69.03432	69.4
69.29111	10.0
71.04993	9.8
71.24863	1.3
73.02547	2.1
73.02917	20.2
77.91331	1.2
81.03418	55.8
81.07052	2.6
85.02908	41.0
85.03431	2.0
87.04449	5.3
97.02890	28.0
99.04456	75.1
103.03931	5.2
109.02880	97.8
110.03680	2.5
111.08121	1.3
127.03914	100.0
145.04942	3.4
153.01796	1.6
165.95105	1.3
169.04955	2.2
200.04698	1.6
235.06122	1.7
253.07092	3.7
256.03665	4.1
256.12433	2.0
271.05603	11.2
271.08398	13.2
271.14609	2.6
271.17395	2.0
271.20416	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1174
Annotation	Benzyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.42478	0.5
55.05513	0.6
57.03434	2.6
61.02922	1.6
65.03941	2.9
67.05500	1.0
68.99789	1.8
69.03419	4.3
69.33143	1.0
69.33561	2.0
71.04990	1.2
73.02917	1.0
75.04465	0.9
78.24934	0.5
78.31593	0.5
79.05477	1.1
81.03416	1.1
81.07051	1.1
83.04958	0.7
85.02903	13.4
85.46064	0.5
88.20126	0.5
91.05478	100.0
92.05830	1.6
93.07036	1.7
95.04964	0.9
95.08614	1.2
97.02898	9.6
99.04443	0.6
105.07008	2.0
107.08627	0.6
109.02869	1.1
109.10168	1.2
117.07026	1.2
119.04974	0.8
119.08546	0.8
122.03601	0.5
127.03932	3.2
129.07025	0.8
133.06427	0.8
133.10092	0.8
135.72214	0.5
137.05965	26.1
141.07001	0.9
145.04967	2.9
145.06522	0.5
145.10178	0.5
147.11716	0.7
149.09660	0.7
153.06981	0.8
157.06476	0.9
157.10161	0.5
163.06113	0.7
165.06995	1.7
169.06476	0.8
171.08058	0.5
173.06021	1.3
175.07535	1.5
179.06953	2.9
181.06451	0.7
183.04407	0.6
183.08061	0.9
197.06003	0.7
201.05402	1.0
203.07072	0.5
211.07590	1.2
215.06892	0.5
225.05457	0.9
229.04973	2.0
243.06537	0.6
253.04903	0.5
253.10822	0.6
271.06015	8.6
271.09805	2.7
272.06403	0.7
277.97382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.1
57.03434	2.7
61.02918	1.7
65.03945	3.2
67.05511	1.2
68.99791	3.4
69.03434	4.3
70.49093	1.4
71.04976	1.1
73.02901	0.8
75.04463	0.8
77.71093	0.5
79.05489	0.8
81.03419	2.3
81.07058	1.1
85.02903	12.2
87.04501	0.5
91.05479	100.0
92.05821	1.8
93.07063	1.3
95.04993	0.5
97.02892	10.5
97.06551	1.0
98.93077	0.5
99.04441	0.7
99.08068	0.7
105.07075	1.0
107.05008	0.5
107.08588	0.7
109.02869	1.1
109.06551	0.6
111.00732	0.6
115.03931	0.7
115.05492	0.6
117.07015	0.9
119.04910	0.7
119.08597	0.5
121.06508	0.9
121.10123	0.5
125.09623	1.2
127.03900	2.8
127.11130	0.6
129.07019	1.1
131.08598	0.6
133.06485	0.7
133.10124	0.6
137.05972	23.3
137.09668	0.7
138.06276	0.7
141.06982	1.3
143.08627	0.6
145.04944	3.3
145.06485	0.8
147.04378	0.8
149.02370	1.2
153.01845	0.7
155.04889	0.8
155.06024	0.5
155.10701	0.6
157.06525	1.6
159.11707	0.6
165.07011	0.6
167.10638	0.5
168.05597	0.6
169.06540	1.2
171.08051	0.5
173.06017	2.1
175.07549	1.4
179.06975	3.2
181.06526	0.7
183.04410	1.1
183.08031	1.1
185.06027	0.7
187.03821	1.1
187.07587	0.8
197.05952	2.2
201.05501	2.0
203.07108	1.3
211.07487	0.9
215.07014	1.6
225.05501	1.2
228.07709	0.5
229.04921	2.2
235.16837	0.6
243.06569	1.9
253.05045	1.3
253.10300	0.5
253.17937	0.6
271.06000	15.4
271.09637	2.0
271.14502	0.6
272.06384	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.4
53.59999	0.3
55.01865	0.3
55.05498	0.6
57.03442	3.7
57.51046	0.4
65.03938	0.5
67.05487	0.5
68.99783	1.5
69.35612	1.6
69.36027	0.6
71.04990	0.8
75.04465	1.3
79.05495	0.7
80.13390	0.3
81.07054	1.0
91.05482	4.3
93.07040	1.0
94.04218	0.6
95.04990	0.7
95.46843	0.3
97.02895	0.4
97.06508	0.3
99.86698	0.3
105.07030	0.7
107.04969	0.6
107.08601	0.6
109.10162	0.9
117.07047	0.5
119.04935	0.7
119.08584	0.9
121.06544	0.8
121.10181	0.8
122.03635	2.4
123.04464	0.7
130.05281	0.3
131.08533	0.4
135.04430	0.9
137.05980	100.0
138.06308	2.2
141.06976	0.7
145.06418	0.3
145.10071	0.5
147.08025	0.4
147.11707	0.5
149.06038	1.5
149.09633	0.5
151.07535	1.0
151.11113	0.3
153.06966	0.6
155.04948	0.3
155.08594	0.5
157.06451	0.6
160.05170	0.3
163.07562	0.6
164.04831	0.4
165.06989	1.8
167.10622	0.4
169.06441	0.7
173.05986	0.6
175.07573	4.0
177.57248	0.3
179.07043	11.7
181.06421	0.6
182.07239	0.4
183.04437	0.6
183.08029	0.8
185.06017	0.3
195.06558	0.7
197.05998	0.7
197.07964	0.5
201.05542	1.0
203.06956	0.6
211.07448	0.8
223.09645	0.4
225.05547	0.5
228.07671	0.4
229.05029	0.6
235.09648	0.7
235.16971	0.5
253.05032	0.4
253.10713	1.6
271.06024	5.9
271.09656	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06047	0.4
55.01871	3.4
55.67080	0.4
57.03442	3.3
58.63437	0.5
65.03940	2.4
67.05495	1.3
67.44818	0.5
68.76423	0.5
68.99780	0.6
70.79395	1.0
73.02921	32.5
75.04482	2.6
75.62628	0.4
79.05491	0.6
80.93156	0.4
91.03951	1.0
91.05494	2.9
93.03408	3.8
93.07043	0.6
95.04979	1.7
103.05464	0.4
105.07018	0.5
107.04967	0.8
108.02100	1.4
109.02856	0.5
110.03673	5.4
111.04442	3.4
119.04948	1.6
121.06552	0.6
122.03628	1.0
123.04448	1.0
125.06000	38.7
126.06368	0.5
135.08043	0.5
137.05962	2.2
141.05467	1.3
147.06531	3.7
149.06012	2.7
151.03917	100.0
151.05002	8.1
151.07483	5.3
152.04269	1.7
163.07571	2.7
167.07021	0.5
169.06407	0.5
179.07048	21.5
180.07394	0.5
181.08586	0.7
183.04498	0.7
197.08102	19.6
199.09634	1.0
201.05510	0.7
225.07578	4.5
229.05043	0.8
253.10696	3.5
271.06052	3.2
271.08826	0.9
271.11795	17.9
271.18741	0.6
272.12311	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1693
Annotation	Oropheic acid
Peak:m/z	Relative Intensity
53.03946	0.7
55.05511	1.1
57.03424	0.7
61.73536	0.6
63.65674	0.6
67.05497	3.4
69.03413	0.7
69.07075	2.1
69.34816	4.0
71.04961	0.7
74.18422	0.5
79.05506	1.1
81.07074	3.8
83.04904	0.6
83.08617	0.7
85.02911	0.8
85.06528	0.9
91.05479	4.0
93.07062	1.7
95.04989	1.9
95.08595	2.8
97.06530	0.8
98.23015	1.9
103.05500	0.8
105.07029	9.0
107.08598	2.3
109.06550	1.3
109.10194	1.2
112.25564	0.6
113.05987	1.4
115.05480	1.0
116.58382	0.6
117.07022	1.8
119.08600	4.0
121.06501	0.6
121.10168	0.8
128.06212	1.7
129.07022	3.9
130.07796	1.3
131.08568	25.8
133.10112	2.9
141.06966	4.4
142.07761	4.8
143.08566	8.7
144.09335	1.3
145.10118	12.2
151.11160	0.6
153.07037	2.4
154.07761	4.0
155.08546	16.0
156.09366	4.6
157.10133	10.0
159.11708	11.2
167.08557	3.1
168.09331	3.6
169.10130	42.4
170.10860	4.6
171.11693	9.8
171.13071	0.8
172.12357	1.0
173.13329	1.7
180.09386	0.6
181.10194	5.0
182.10918	3.3
182.94139	0.6
183.11700	25.6
184.12413	2.4
185.09850	0.6
185.13272	1.0
193.10147	1.0
195.11725	3.2
196.12442	3.0
197.09581	1.6
197.13269	14.0
198.14014	3.1
209.13274	2.3
210.13931	1.0
211.11322	6.2
211.14838	25.7
212.15305	1.9
215.10626	3.3
225.12791	1.6
225.16313	7.1
226.17130	1.4
227.10718	1.0
228.11360	2.7
229.12267	7.0
229.15799	7.1
235.14804	2.3
241.10181	2.1
242.10954	0.7
253.15974	4.2
256.12360	2.2
257.13202	0.7
271.06033	2.0
271.16968	100.0
271.24387	1.7
272.17474	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1688
Annotation	Oropheic acid
Peak:m/z	Relative Intensity
50.54584	0.2
55.05511	1.5
55.78031	0.3
57.07074	0.7
58.81070	0.3
62.20872	0.3
67.05520	1.5
69.03414	0.4
69.07068	2.5
71.04987	0.5
71.30463	0.5
72.46542	0.2
79.05488	2.5
81.07056	2.5
83.08617	0.6
85.06540	0.9
88.07642	2.5
89.07976	0.8
91.05474	4.6
93.07039	2.8
95.04940	0.6
95.08620	2.2
99.04478	0.3
105.06371	0.5
105.07037	6.6
107.08593	4.9
108.17498	0.3
109.06489	0.6
109.10168	0.9
115.05449	0.3
117.07025	1.7
119.08580	9.5
120.14922	0.3
121.06538	0.4
121.10170	2.2
123.08071	0.8
128.06227	1.0
129.07034	2.5
130.07808	0.5
131.08583	3.0
133.10143	3.0
135.11673	0.6
137.13191	0.3
141.07001	2.6
142.07825	2.0
143.08556	5.5
144.09383	0.6
145.10158	2.6
147.08067	0.3
147.11684	1.0
149.13210	0.4
151.07500	0.3
153.06995	0.9
154.07764	1.8
155.08543	9.7
156.09346	2.2
157.10130	7.6
157.11411	0.4
158.10896	0.7
159.08102	0.6
159.11693	1.9
161.09567	0.3
161.13248	0.7
163.07466	0.7
165.09138	0.7
167.08575	1.9
168.09344	2.5
169.10127	15.0
170.10892	2.5
171.08072	0.4
171.11685	3.2
171.78261	0.3
172.12509	0.6
173.09631	1.4
173.13277	1.1
175.14835	0.4
177.09122	0.6
179.08580	0.4
181.10109	3.2
182.10890	2.3
183.11693	25.6
184.12218	1.1
185.09608	0.3
185.13295	1.1
186.10448	0.3
187.11151	0.5
187.14832	0.5
193.10187	0.3
194.10966	0.4
195.11707	1.1
196.12486	4.3
197.09631	1.1
197.13271	4.1
198.14015	1.5
199.14864	0.3
201.09070	1.2
201.12752	0.5
201.16429	0.8
202.09920	0.3
209.13261	0.8
210.14018	1.0
211.11337	1.1
211.14818	20.6
212.15358	1.2
215.10660	4.0
215.17953	0.7
225.12830	2.1
225.16316	2.0
226.17155	6.8
227.17686	0.3
228.11441	1.2
229.12537	2.8
229.15872	31.6
230.16228	1.2
235.14853	0.4
237.69534	0.3
241.10085	0.4
242.13039	0.4
243.13774	1.0
243.17445	0.4
243.25137	1.4
253.15895	1.1
256.12427	0.7
271.06061	1.4
271.16931	100.0
271.24414	4.4
272.17340	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.05511	7.5
57.07063	3.1
63.23162	0.9
63.31721	0.7
67.05505	14.0
69.07069	18.8
79.05496	5.6
81.07056	26.0
82.28696	0.8
83.08619	8.9
89.72852	0.7
91.05489	6.9
93.07039	13.6
94.63439	0.7
95.08606	27.3
97.02918	0.8
97.10159	3.3
99.04432	1.3
105.07034	17.3
107.08592	21.4
109.09443	1.5
109.10158	21.8
111.11696	1.2
115.94448	0.8
117.06993	2.9
119.08575	24.5
121.10136	18.0
123.11702	11.9
129.07008	1.4
131.08580	9.7
133.10132	18.6
134.10481	0.9
135.11691	11.2
137.13261	3.6
143.08546	1.6
144.09317	0.9
145.10112	21.6
147.11696	16.8
149.13252	10.9
157.10132	2.5
158.10966	1.0
159.11687	23.3
160.12241	1.0
161.13254	17.7
163.14796	8.7
171.11726	2.0
172.12392	1.1
173.13264	15.5
174.13768	0.8
175.14821	12.4
177.16399	2.5
183.11777	1.1
185.13289	1.6
187.14824	10.6
189.16368	7.7
199.14711	0.8
201.16379	17.0
202.16914	1.3
203.17981	2.6
213.16364	1.4
215.17950	19.9
216.18410	0.8
229.19455	6.1
241.09956	1.3
256.12451	1.5
271.06009	5.0
271.14789	2.5
271.24194	100.0
272.24478	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.242
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.03968	0.9
55.05508	9.0
57.07080	4.0
62.49682	0.7
67.05502	15.0
69.06725	1.4
69.07070	18.6
69.18541	6.8
71.08625	2.5
79.05490	4.8
79.84821	0.7
81.07056	25.9
83.08620	7.9
91.05468	6.8
93.07051	17.8
95.08608	29.2
97.10161	3.2
105.07034	19.0
106.07314	0.8
107.07856	1.1
107.08598	24.8
109.10156	25.7
110.61411	1.0
111.11737	1.4
117.07009	3.7
119.08580	25.3
121.10144	19.9
121.11025	1.6
123.11713	11.8
124.36559	0.8
131.08554	8.7
133.10123	14.8
135.11694	11.7
137.13271	3.0
144.09351	1.7
144.26523	0.9
145.10123	13.8
147.11697	16.8
149.13246	12.8
157.10118	1.1
158.10898	0.8
159.11688	17.7
161.13258	18.7
163.14835	9.7
171.11662	1.2
172.12444	0.9
173.13261	11.5
174.13666	0.9
175.14825	13.8
177.16417	2.9
187.14809	13.3
189.16406	8.3
199.14806	1.0
201.16396	15.5
203.17923	2.2
215.17955	18.3
216.18388	1.1
228.18839	1.5
229.19543	4.2
243.21098	1.5
271.06052	1.1
271.24200	100.0
272.24500	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59270	0.9
53.03937	1.1
55.05513	6.7
57.07073	5.2
63.35493	0.8
65.03944	1.1
66.27397	0.8
67.05504	13.4
69.07071	18.0
71.08612	2.6
79.05496	9.0
81.07059	35.5
83.08627	6.5
87.74371	0.9
91.05482	6.7
93.07054	20.8
95.08611	33.4
96.08952	1.2
97.10155	2.8
98.23442	1.9
105.07034	24.8
107.08593	26.2
109.10155	26.3
117.07023	2.7
119.08578	28.4
121.10154	22.1
123.11710	12.7
129.07030	1.5
131.08586	7.6
133.10138	15.6
135.11700	11.8
137.13315	2.7
143.08536	1.4
144.09296	1.0
145.10118	16.7
147.11685	17.8
149.13255	12.5
157.10103	2.0
158.10950	1.5
159.11725	17.7
160.12378	1.7
161.13271	19.0
163.14832	9.7
171.11551	1.2
173.13263	14.1
175.14839	13.5
177.16415	4.9
187.14851	8.4
189.16350	6.0
201.16403	14.5
202.17073	1.2
203.17940	1.3
213.16348	1.0
215.17976	14.5
229.19508	4.5
271.24203	100.0
272.24533	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2419
Annotation	Axerophthene
Peak:m/z	Relative Intensity
52.95725	0.7
53.03945	1.4
55.05508	7.4
57.03423	0.9
57.07072	3.5
67.05508	10.7
69.03435	3.5
69.07066	21.5
69.30467	4.7
71.04980	1.3
71.08636	1.5
75.73814	0.6
76.96149	0.6
79.05486	5.3
81.03421	4.1
81.07056	33.2
83.08624	5.6
85.02912	1.6
91.05486	6.7
93.07048	12.7
95.08610	32.1
97.02791	0.8
97.10157	2.1
98.22823	2.3
99.04448	5.4
105.07030	18.2
107.08596	20.0
109.02892	2.5
109.10156	19.8
111.11739	1.3
112.95282	0.7
117.07023	2.7
119.08582	24.2
121.09303	1.1
121.10145	18.4
123.11705	8.8
127.03910	7.5
128.04308	0.8
131.08560	8.5
133.10124	15.7
134.10364	0.7
135.11684	8.7
136.75459	0.7
137.13245	2.6
143.08604	1.8
144.09383	1.3
145.10129	14.8
147.11688	15.0
149.13254	8.9
155.08557	1.9
157.10146	2.4
158.10886	1.0
159.08090	0.7
159.11703	18.1
160.12347	2.5
161.13261	19.8
161.14569	1.2
163.14809	7.5
169.10149	3.1
171.11688	2.4
172.12512	1.2
173.13246	10.2
175.14810	11.4
177.16344	3.5
181.10126	0.9
183.11722	2.6
187.14830	13.5
189.16382	5.5
197.13222	1.3
201.16380	15.1
203.17984	1.6
211.14845	2.6
213.16415	1.2
215.17947	15.2
228.18697	1.0
229.12112	1.0
229.19545	4.0
243.21077	1.5
271.06039	1.9
271.17148	8.4
271.24194	100.0
272.17258	1.1
272.24469	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	11.5
58.54650	7.1
61.52751	9.0
62.42134	7.9
70.53033	18.7
71.04974	10.2
72.96806	7.5
81.07037	24.3
82.08093	8.1
83.08619	11.3
87.36966	7.9
95.08611	18.0
105.07042	19.1
107.08611	22.2
121.10118	11.6
122.77796	7.4
125.09583	10.3
131.08577	18.3
133.10097	36.9
139.24559	8.2
143.10684	15.1
153.14452	8.8
167.14307	15.3
214.82858	9.2
219.17336	10.6
228.09215	8.8
229.10004	28.2
230.10843	12.2
242.10858	17.8
243.11739	8.7
244.12318	10.5
257.09576	25.4
257.13129	32.6
258.10300	14.2
272.06448	10.1
272.11874	100.0
272.15152	23.3
273.12735	54.3
273.15326	12.6
276.08157	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	13.2
57.07085	7.4
58.03494	3.1
59.79589	3.2
64.71744	3.2
67.05505	12.0
69.03445	3.2
69.07074	22.0
70.06607	5.1
71.05018	4.2
71.30987	4.7
79.05499	13.2
81.07061	38.0
82.16059	3.1
83.08627	10.5
85.06561	4.2
86.00038	3.2
88.07625	7.7
91.05457	16.0
91.25687	3.3
93.07048	36.4
95.08611	48.4
97.06542	4.3
97.10178	7.9
98.97592	4.1
99.08090	3.6
105.07033	21.1
106.08681	22.6
107.08596	44.7
109.06559	5.7
109.10165	59.6
111.11697	4.1
116.98602	5.0
117.07060	4.9
119.08572	23.6
121.06528	4.7
121.10155	43.3
123.04464	8.6
123.11719	10.8
129.06973	3.6
131.08597	8.4
133.10139	12.8
135.11714	56.1
145.10124	24.0
147.11685	7.0
149.13286	12.1
151.14760	3.8
153.06857	5.0
154.07359	4.8
155.08540	3.5
156.08965	6.0
159.11679	32.7
161.13278	26.7
163.11211	10.3
165.07014	6.0
166.07372	27.7
166.12143	3.9
169.06183	5.2
171.02281	3.2
173.13292	5.1
175.14825	35.2
177.16444	4.6
181.06393	7.4
182.06863	8.2
183.07974	4.7
184.08389	13.9
191.17963	100.0
192.18234	3.7
193.15915	11.7
194.06773	6.0
197.05585	3.9
201.16429	51.6
209.05960	5.1
209.19055	6.7
211.07431	5.1
212.07893	25.5
213.09128	4.6
219.17462	90.9
220.17802	4.3
221.63318	4.0
222.06383	7.7
235.38103	3.1
237.18489	37.9
240.07420	5.6
243.10034	3.4
272.06369	14.6
272.10086	45.4
272.22284	7.8
272.25858	14.8
273.14731	7.4
273.18500	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0756
Annotation	Hydramacrophyllol B
Peak:m/z	Relative Intensity
50.01587	0.2
51.02378	0.4
53.00317	0.2
53.03938	0.7
55.01881	0.3
59.96041	0.2
60.85675	0.2
65.03926	0.2
67.05505	1.0
68.99793	1.4
69.14676	0.3
69.15081	1.2
77.03917	1.3
79.14889	0.2
81.03413	0.5
91.05485	0.5
93.03425	0.2
95.04971	1.6
95.96665	0.2
102.04722	0.2
105.03403	2.2
105.04524	0.3
107.04945	1.8
109.18605	0.2
111.00813	1.8
111.04461	0.4
115.05446	0.4
118.35764	0.2
119.04962	0.4
122.84369	0.2
123.04430	100.0
124.04769	1.9
127.03920	0.2
129.07011	0.3
133.06541	0.2
135.04433	2.2
136.05257	0.2
137.02321	0.4
139.03888	1.8
143.04927	0.4
145.06474	0.3
147.04402	5.3
148.05162	0.2
151.03902	1.8
153.07005	0.5
157.06471	0.3
159.09167	0.2
161.05978	0.7
163.03903	2.7
163.07509	1.1
171.04333	0.2
171.08057	0.3
175.07565	0.3
181.06558	0.9
185.05919	0.3
187.07523	0.3
189.05457	1.7
199.07491	0.8
200.81754	0.2
203.07053	0.4
204.12561	0.2
209.06030	0.3
213.05539	0.3
217.10706	0.2
227.07042	0.6
229.99655	0.2
231.06490	0.4
237.05711	0.2
255.06522	1.1
258.34155	0.2
271.06061	0.3
273.07571	20.0
274.07935	1.0
282.88358	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0756
Annotation	HYDRAMACROPHYLLOL A
Peak:m/z	Relative Intensity
50.01574	0.2
51.02363	0.6
53.03948	0.6
54.64595	0.1
55.01863	0.4
58.55877	0.1
62.31083	0.1
65.03943	0.2
67.05505	0.9
68.99789	2.1
69.39964	0.7
69.40371	0.3
77.03931	1.2
79.05469	0.2
81.03416	0.2
89.03934	0.1
91.05495	0.5
91.72374	0.1
94.50571	0.1
94.89943	0.1
95.04971	2.1
98.22606	0.1
98.97583	0.5
102.00818	0.1
105.03397	2.4
105.04510	0.4
105.06985	0.1
107.04946	1.1
111.00806	2.0
111.04475	0.2
115.05451	0.4
116.98619	0.4
117.07024	0.1
117.54895	0.1
119.04964	0.4
121.06512	0.2
123.04430	100.0
124.04767	1.7
127.03890	0.3
133.06514	0.2
135.04420	1.6
137.02336	0.2
139.03900	1.2
143.04929	0.4
145.06512	0.4
147.04405	5.2
148.05258	0.2
149.02304	0.2
149.05957	0.2
151.03888	1.9
152.06163	0.2
153.06992	0.7
157.06490	0.4
161.05994	1.1
163.03922	2.5
163.07544	1.6
171.04387	0.1
175.07489	0.2
181.06473	0.9
185.06078	0.3
187.07498	0.2
189.05470	1.8
198.06590	0.1
199.07660	0.7
203.07057	0.4
209.05888	0.3
213.05460	0.3
213.09122	0.3
227.06960	0.7
231.06491	0.2
237.05389	0.1
241.08568	0.3
245.08183	0.3
255.06537	1.0
258.05310	0.2
273.07574	16.1
274.07919	0.4
276.58145	0.1
290.94745	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1847
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03954	1.7
53.79889	1.3
55.05507	6.4
55.58800	1.4
57.07071	2.5
65.03947	2.0
67.05502	11.3
69.03428	2.9
69.07062	9.3
69.64625	1.3
71.04997	3.8
71.29066	2.3
79.05492	12.6
81.07059	16.2
83.05010	4.3
83.08629	2.5
85.06558	3.2
89.13107	1.3
91.05481	14.8
93.07048	18.6
95.04971	4.8
95.08601	12.3
97.06552	3.3
99.04429	2.2
105.07027	26.8
107.04987	2.9
107.08588	15.8
109.06510	18.3
109.10159	7.4
111.08101	2.1
112.02079	1.3
115.05521	2.5
117.07022	7.9
119.04965	2.7
119.08575	21.6
121.10175	11.6
123.04428	2.1
123.08095	3.1
123.11723	1.9
128.06256	4.4
129.07004	10.3
130.07817	3.9
131.08563	17.5
133.06462	9.0
133.10136	13.5
135.08049	8.7
135.11713	3.3
137.09657	2.4
141.07030	4.7
142.07768	8.6
143.08569	17.1
144.09312	2.2
145.06519	2.2
145.10120	23.0
147.04407	2.7
147.08072	6.4
147.11673	11.1
149.09662	5.1
151.03893	2.1
151.07564	1.8
153.01828	8.4
153.06992	2.2
155.08549	11.3
156.09343	12.1
157.10107	26.2
159.08101	5.1
159.11688	12.7
161.09627	8.1
161.13248	3.4
163.11201	2.8
165.07013	2.2
167.08621	4.7
169.10127	13.6
170.10916	3.5
171.08119	1.9
171.11679	21.5
171.13081	2.0
172.12413	2.4
173.09604	17.2
173.13243	9.2
174.10468	2.3
175.11205	9.8
179.08569	3.1
180.09331	2.4
181.10088	8.4
182.10878	8.8
183.11710	6.6
184.08835	1.6
185.09631	4.7
185.13213	8.1
187.11116	3.2
187.14856	3.5
189.12737	11.6
191.10666	2.1
193.10281	1.7
194.10983	2.1
195.11670	9.3
196.12450	3.6
197.09645	2.2
197.13249	30.1
197.14938	2.2
198.14047	3.9
199.11186	19.7
199.14850	3.3
200.12004	1.6
203.10600	2.0
207.11745	3.6
208.12567	1.8
209.13385	4.4
211.14777	15.1
212.15558	9.1
213.12920	7.5
213.16373	21.0
214.13560	1.8
215.08585	1.6
215.14326	12.8
216.09311	3.6
217.12312	4.8
222.14117	4.0
225.12851	3.7
227.14272	11.7
227.17848	3.0
229.10326	2.6
229.15924	6.2
231.17505	5.0
237.16438	6.3
240.15117	4.2
243.11792	3.4
244.12549	2.5
245.13338	2.5
255.13907	2.6
255.17435	45.6
258.10394	5.8
258.13901	3.4
273.04114	3.0
273.07574	7.9
273.12280	11.0
273.15430	7.4
273.18585	100.0
273.22107	4.6
273.25732	3.9
274.13486	2.7
274.18961	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03944	2.4
54.46671	0.9
55.01879	2.1
55.05517	7.6
57.03441	1.4
57.07051	1.0
61.83123	0.8
65.03934	1.0
65.41255	0.8
66.49589	0.8
67.05508	13.9
69.07067	6.3
69.21444	3.6
69.21882	3.1
71.04998	8.4
77.03905	1.4
79.05492	25.4
81.07057	19.1
83.04990	2.0
83.08630	1.6
85.06544	2.0
87.04479	1.5
91.05479	28.1
93.07046	27.6
95.04971	3.6
95.08614	11.2
97.06531	8.2
97.10181	1.1
98.22613	1.8
103.05452	2.1
104.06171	0.9
105.04475	1.1
105.07024	28.3
107.08585	10.6
109.06533	2.2
109.10151	3.4
111.08084	2.1
115.05460	5.5
116.06248	1.9
117.07015	43.0
119.08584	29.8
119.09449	1.4
121.06469	2.3
121.10137	8.6
123.11715	1.2
128.06227	3.1
129.07002	14.6
130.07796	5.6
131.04901	1.2
131.08572	51.2
132.08827	1.3
133.02850	3.2
133.10141	10.4
135.08070	7.5
135.11703	2.3
137.09694	1.0
141.06995	3.2
141.74843	0.9
142.07799	3.1
143.08563	16.5
144.09366	3.9
145.10123	44.3
146.10519	1.4
147.04417	2.0
147.08046	2.2
147.11688	7.1
149.13306	1.1
151.07520	1.2
152.06227	1.4
153.06999	2.3
153.09120	3.2
154.07729	1.3
155.08554	4.3
156.09283	1.0
157.10126	18.1
158.10753	0.9
159.04324	1.1
159.08072	1.7
159.11690	56.5
160.12219	2.7
161.09691	2.1
161.13234	1.6
161.25336	0.9
162.03084	3.7
163.03883	2.0
163.07581	0.8
165.07047	2.3
167.08533	4.3
169.10175	4.5
169.56561	0.9
170.10837	0.8
170.24318	0.9
171.11707	17.1
172.12334	1.7
173.02336	13.4
173.09644	1.8
173.13261	4.6
175.03922	1.0
175.11197	2.2
177.05467	4.8
177.09128	1.3
177.81033	0.9
179.10841	0.9
180.09238	0.9
181.06494	1.4
181.10129	7.2
181.12175	0.9
183.11690	3.4
184.12549	1.3
185.05954	1.5
185.09669	4.6
185.13240	7.0
186.14021	2.6
187.03917	1.7
187.11223	1.1
187.14883	1.7
189.12691	1.4
191.10692	1.1
195.08064	1.3
195.11720	5.6
199.03790	1.7
199.11217	5.8
199.14795	2.5
205.12280	1.1
207.13863	1.2
208.12535	1.1
209.13307	4.0
211.14790	4.6
213.09109	1.9
213.12653	4.9
213.16357	14.3
215.06963	5.8
217.12292	1.7
222.14093	1.1
227.14333	6.9
227.18015	2.5
231.13763	2.2
237.16396	15.3
241.08597	8.6
245.15157	1.1
255.17429	14.0
255.20114	1.3
255.21132	1.0
273.03781	1.5
273.11261	6.4
273.18500	100.0
274.18845	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2213
Annotation	3-Oxo-delta4-steroid
Peak:m/z	Relative Intensity
53.03939	1.4
55.01881	1.4
55.05509	11.7
57.07071	4.0
59.05013	1.0
67.05502	8.7
69.07064	13.9
70.42236	0.7
71.08626	1.1
71.30050	1.0
72.80768	0.7
79.05486	7.3
80.05824	0.9
81.07056	17.5
83.04984	12.2
83.08616	6.2
85.06527	1.7
91.05469	9.6
93.07047	20.7
95.04952	1.5
95.08611	23.0
97.06548	2.3
97.10158	3.1
103.81082	0.8
105.07028	24.6
107.08593	21.5
108.08899	1.0
109.06507	3.2
109.10152	16.3
111.08068	1.8
117.07005	3.4
119.08580	32.1
121.06489	2.0
121.10151	15.3
123.08073	4.6
123.11687	7.1
125.09644	4.9
129.01845	1.2
129.06990	3.3
131.08569	10.2
133.06523	2.5
133.10133	21.3
135.08046	3.7
135.11696	15.3
137.09612	3.8
137.13254	2.6
142.07799	1.5
142.11702	0.8
143.08586	7.6
144.09390	1.1
145.10129	13.7
147.08061	3.8
147.11696	13.4
149.09602	3.3
149.13248	7.1
151.11163	2.4
152.86909	1.0
156.09357	2.1
157.10147	12.1
158.10896	0.9
159.11684	13.2
161.09627	5.3
161.13243	9.8
163.11198	8.5
163.14825	4.5
165.12686	1.1
171.11687	11.4
172.12416	1.1
173.13249	10.7
174.14023	1.4
175.11159	5.5
175.14786	10.0
177.12787	6.5
177.16304	1.1
179.14365	0.9
185.13281	8.6
187.14813	10.9
189.12735	7.5
189.16347	7.6
191.14290	9.3
197.13248	1.3
199.14819	9.8
199.16551	1.3
201.16397	3.5
203.14325	4.4
203.18068	1.2
205.15900	1.9
213.12849	4.8
213.16374	7.7
215.17932	6.0
217.12282	1.4
217.15868	15.5
227.17937	1.9
229.19490	2.8
231.13794	1.0
231.17455	5.0
231.21088	2.2
243.11632	1.5
245.18913	1.2
245.22554	2.9
255.21071	24.1
256.21536	1.2
258.13998	1.1
273.16043	2.2
273.18634	9.3
273.22113	100.0
274.22491	4.5
274.27344	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2576
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03954	1.7
55.05510	9.4
57.07066	6.9
65.03948	2.0
67.05236	1.4
67.05511	15.9
69.07069	24.5
69.69614	5.7
69.70025	2.6
71.08633	1.8
75.75125	1.6
79.05477	8.5
81.06575	3.1
81.07054	42.7
83.08609	11.6
91.05473	9.7
93.07042	22.7
95.08606	47.0
97.10149	6.9
98.23071	4.4
105.07023	16.5
105.68676	1.8
107.08600	34.7
108.40930	1.5
109.09452	2.9
109.10156	39.0
111.04395	1.9
111.11732	2.2
117.07059	1.8
119.08566	15.4
121.10147	32.8
123.11706	27.5
125.13209	1.8
133.10135	11.4
135.11699	23.8
137.13258	10.0
147.11693	13.6
149.12369	1.5
149.13261	39.6
151.14798	5.7
157.10118	2.2
160.71851	1.7
161.13264	14.6
163.14804	25.8
164.50861	1.5
175.14842	10.3
177.16393	17.2
189.16403	21.3
191.17885	9.4
203.17938	15.8
212.37318	1.5
217.19507	23.4
218.19894	1.6
221.86595	1.6
231.21107	4.8
273.12634	2.2
273.16147	2.9
273.18918	2.9
273.22546	4.7
273.25751	100.0
274.26230	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35592	1.3
55.05508	1.8
58.99876	1.7
61.50811	1.3
65.03947	3.1
67.05495	2.7
69.03450	1.7
75.60992	1.4
82.99841	5.8
83.04982	3.0
85.02896	3.2
93.03389	4.9
95.04967	5.3
95.06080	4.8
97.02864	2.7
101.00877	48.8
102.01007	1.8
111.04462	2.3
113.00869	7.8
113.07104	10.7
115.02438	3.2
119.01920	93.0
120.01968	2.5
121.02856	19.5
125.04492	2.2
127.02401	13.5
129.03975	3.1
131.01880	12.8
133.03496	2.3
137.02974	15.8
139.02377	1.9
139.03920	2.8
141.01244	2.0
141.03986	1.7
142.03523	1.5
143.01910	9.6
144.10173	1.5
145.02377	2.9
145.03464	50.1
145.10561	2.0
146.03482	1.9
151.02397	3.1
153.03952	3.2
155.01877	16.9
157.03462	8.3
159.05049	9.6
161.02927	9.2
163.04504	4.0
167.01953	3.9
167.03296	1.6
169.03461	56.4
171.01382	3.3
171.05022	17.4
173.02968	26.0
175.04547	3.0
177.06047	2.0
179.01923	1.6
183.05157	1.5
185.02948	24.7
185.06512	2.3
187.04517	60.0
189.02480	7.9
189.06038	1.9
193.03471	2.4
195.01454	1.9
195.04997	5.4
197.02983	22.9
200.08511	5.6
203.02022	2.7
203.03970	9.7
205.05597	6.4
207.03572	2.0
211.04572	7.6
213.02425	5.6
213.06097	1.8
215.04008	25.3
221.02939	11.5
221.05052	3.5
229.05583	22.2
231.03508	5.7
233.04741	1.9
239.03987	8.1
239.06154	2.8
245.04802	1.8
247.06604	11.6
257.05057	23.4
258.05466	1.5
275.06104	100.0
275.11026	4.7
276.06277	4.7
293.03967	2.6
293.07025	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.1
56.06493	1.4
58.73658	1.6
59.87216	1.4
65.03947	8.0
66.46775	1.5
67.05496	3.7
69.69119	6.3
82.53806	1.6
82.99850	3.3
83.04974	9.5
91.31467	1.5
93.03409	12.2
95.04967	12.6
101.00881	47.9
102.00964	2.1
102.18706	1.4
107.03406	1.5
111.04428	7.5
117.92539	1.4
119.01924	88.5
120.02028	3.0
121.02869	45.5
137.02968	14.9
137.93913	1.5
139.03900	6.1
151.02386	2.4
153.03975	1.9
169.03493	7.0
171.05040	4.7
179.01868	2.9
183.05038	2.1
185.02844	1.6
187.04559	2.2
193.03476	4.8
195.05084	9.1
197.02951	20.9
198.02972	1.6
200.50516	1.5
203.01958	7.2
211.04520	12.7
213.06049	5.1
215.04031	14.2
221.02959	37.9
222.03168	2.6
229.05563	4.8
239.04025	13.7
251.02571	1.7
257.05081	60.4
258.05231	3.1
275.06100	100.0
276.06314	6.1
278.72180	1.8
293.03574	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41549	3.1
57.36700	2.6
65.03926	5.7
67.05502	4.0
69.71072	7.8
69.71459	5.7
83.04962	3.0
89.33727	2.5
93.03404	4.7
95.04961	8.7
98.23318	5.3
101.00879	42.3
111.04409	3.2
119.01923	68.2
121.02863	21.9
124.08241	3.0
125.14401	2.8
127.02451	8.9
137.02953	10.3
143.01849	4.0
145.03427	28.0
153.03943	3.7
155.01938	3.3
157.03448	5.9
161.18816	3.1
168.79698	2.8
169.03458	36.3
171.05061	9.5
173.02998	2.8
179.01851	5.3
185.02963	13.5
187.04515	42.6
195.05057	7.4
197.02937	16.4
203.02014	3.7
203.03975	3.4
205.05582	3.1
211.04532	8.5
215.04001	15.1
221.03128	15.9
229.05565	29.0
239.03983	10.4
247.06554	17.0
257.05048	24.0
275.06119	100.0
276.06299	5.3
293.07166	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0913
Annotation	Phloretin
Peak:m/z	Relative Intensity
51.12294	0.1
53.03935	0.4
67.01865	0.5
70.65218	0.4
77.03928	0.2
79.05476	1.2
85.02899	0.4
95.04961	0.5
98.97640	0.2
105.04510	0.5
107.04952	100.0
107.12986	0.2
108.05284	2.0
121.06493	0.3
123.04417	0.5
127.03896	1.3
139.03902	0.6
149.05978	0.7
151.03896	1.6
169.04962	10.6
170.05331	0.3
181.04962	0.3
214.68552	0.2
242.61499	0.2
267.09439	0.2
275.09119	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0913
Annotation	5-Acetoxyisogoniothalamin oxide
Peak:m/z	Relative Intensity
51.02380	0.5
53.03949	1.7
55.01863	0.6
55.05503	1.0
57.39132	0.2
61.02908	0.4
69.03431	8.7
69.18817	2.3
77.03912	0.6
79.05486	1.4
81.03421	7.5
85.02907	0.5
91.05468	1.2
95.01321	0.6
95.04962	1.2
97.02900	3.4
98.23369	0.5
99.04440	0.7
102.04674	0.4
103.05469	30.2
104.05787	0.5
105.04536	0.3
105.07021	0.9
107.04948	3.5
109.02876	2.7
115.05450	3.4
117.07035	2.0
119.04953	0.9
127.03933	3.0
128.06227	0.9
129.07007	2.6
131.04929	100.0
132.05249	2.6
133.06487	0.5
133.10123	0.4
141.06990	5.7
143.04939	1.1
143.08546	0.7
144.05707	4.6
145.06488	4.7
145.10133	0.5
149.05981	11.7
152.06218	0.3
153.06992	1.0
155.04907	0.4
155.06026	0.5
155.08577	2.9
157.06477	3.4
157.10136	0.6
159.08060	0.8
161.05948	0.5
161.09618	3.9
165.07008	0.9
167.08601	1.4
168.05721	0.5
169.06485	4.3
169.10095	0.5
170.03369	0.4
170.07208	0.8
171.04408	1.2
171.08063	0.9
173.05969	4.3
173.09648	0.3
179.08786	0.3
181.06480	0.9
183.04526	0.4
183.08035	1.9
184.05240	0.3
185.06004	1.8
185.09624	6.5
187.07527	1.8
187.11189	0.4
189.05440	2.0
193.06511	0.4
195.08206	0.4
197.05966	5.0
197.09599	0.9
198.06346	0.3
199.07536	0.6
201.09103	0.4
203.07005	1.7
209.06114	0.3
211.07552	0.9
211.11198	0.8
213.09149	0.8
215.07037	17.2
215.10643	1.1
216.07393	0.8
217.12146	0.3
217.34360	0.3
221.09819	0.3
227.07002	0.3
233.08055	4.0
239.10721	0.6
257.08041	1.7
257.11874	0.9
275.05560	0.5
275.09167	5.5
275.12878	1.1
276.78732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0913
Annotation	Fomajorin S
Peak:m/z	Relative Intensity
55.01871	7.6
55.05564	0.9
55.51578	0.8
65.03925	1.2
66.03244	0.9
67.05501	1.2
68.99796	2.5
69.93866	0.9
69.94189	3.4
78.96740	0.9
79.05494	1.5
85.02899	2.3
87.80067	1.0
91.05476	6.6
95.04929	1.4
95.08611	1.1
98.22715	1.0
98.97587	4.4
100.67223	0.8
103.05508	4.9
104.06213	1.5
105.03386	1.3
105.07006	2.3
107.04939	1.4
115.05444	24.7
116.06258	4.3
116.98590	2.0
117.07024	5.9
118.04145	3.7
119.04895	1.8
123.04411	1.7
127.05437	1.3
128.06258	6.1
129.03348	4.2
129.06987	10.3
130.04068	1.1
130.07785	3.0
131.04933	8.6
131.08549	4.5
132.05716	7.9
133.06496	2.3
134.99637	1.0
135.04414	1.2
137.05948	1.3
139.05472	1.9
140.06186	3.0
141.06989	53.6
142.07349	1.2
143.04921	9.6
144.05688	11.8
145.06503	11.2
146.03632	9.5
147.04343	2.6
147.08057	1.6
152.06178	2.2
153.06956	3.8
155.04895	6.7
155.06059	3.7
155.08565	3.4
156.05647	1.1
157.02826	11.2
157.06487	15.2
158.03516	0.9
158.07285	12.7
159.00789	1.5
159.04433	5.3
159.08060	10.1
160.05197	10.7
161.04617	0.6
161.05968	17.2
162.03183	1.9
162.06586	1.1
163.03860	1.9
164.07014	1.9
165.05524	1.0
165.06989	4.2
167.03471	2.1
167.04832	1.7
168.05714	13.2
169.06483	44.8
169.07909	2.4
170.03577	1.4
170.07089	2.9
171.04396	19.4
171.07921	1.6
172.05186	8.0
173.05981	15.9
173.09610	2.0
174.03098	3.1
175.03838	2.5
175.07533	10.3
176.04684	4.1
177.05441	8.5
179.07143	1.7
181.06525	1.1
183.04303	2.0
183.08017	5.9
184.05132	1.4
185.05983	8.9
186.06757	22.4
187.03903	3.7
187.07518	18.7
188.04697	5.5
189.05460	28.7
190.06145	5.1
191.03362	3.6
191.07025	15.8
192.04152	1.5
196.05168	6.3
197.05972	40.5
198.06628	4.4
199.03902	11.0
199.07565	1.9
200.04666	13.0
201.05463	8.6
201.09090	13.5
202.06239	2.0
203.03319	2.0
203.07030	16.2
204.07797	8.1
205.08546	5.4
207.04410	1.2
211.07547	10.4
213.05460	6.2
214.06213	15.1
215.07019	41.4
216.04163	2.2
216.07542	1.8
217.04976	6.7
217.08557	2.1
218.05574	1.1
219.10110	2.1
224.04794	1.1
225.05479	5.5
226.06206	4.9
227.06984	1.5
228.04156	2.0
229.05124	6.2
229.08589	28.6
230.05710	3.7
231.06514	21.5
232.07289	8.7
233.04495	2.8
233.08069	2.3
239.06985	3.3
242.05727	12.3
243.06525	29.1
244.07172	2.8
245.04445	15.3
245.08224	1.4
247.09660	30.5
257.04565	1.9
257.08066	26.9
258.08530	2.7
259.05948	1.3
260.06796	45.8
261.07169	1.7
274.97403	2.0
275.09116	100.0
275.14008	2.9
276.09454	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28846	0.5
55.05503	1.4
65.03939	2.6
67.05491	1.4
70.32446	1.3
70.32815	1.1
70.95878	1.1
82.99857	1.4
83.04978	2.6
91.86000	0.6
93.03416	3.4
95.04958	3.4
101.00880	14.9
102.00948	0.8
111.04424	1.1
113.00835	0.9
119.01920	33.8
120.02024	1.8
121.02859	11.8
127.02385	1.9
131.01880	1.0
137.02980	7.4
139.03909	1.2
143.01878	1.8
145.03476	4.0
153.03969	1.0
155.01901	1.4
157.03467	1.4
159.05055	1.0
161.02979	1.8
169.03436	3.8
171.05034	2.2
173.02977	0.9
177.06100	0.9
179.00636	1.5
183.04947	0.6
185.02985	1.7
185.06628	1.4
187.04556	3.6
190.94836	0.9
195.05051	2.4
197.02972	5.8
203.02003	1.8
203.04022	1.2
211.04477	2.9
213.06122	1.1
215.04082	3.2
221.02873	5.6
221.05054	1.2
229.00320	0.6
229.05547	3.2
232.95888	1.1
233.01491	0.9
239.04027	3.5
248.53584	0.7
251.02541	1.1
257.05078	14.2
274.97174	3.3
275.06348	26.2
275.11002	100.0
276.06406	2.2
276.11441	2.8
292.97861	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61787	0.5
51.02378	0.8
53.03938	1.3
55.01875	2.0
55.05512	5.4
57.03436	0.9
57.78074	0.5
61.02922	1.6
67.83945	0.4
69.03428	11.4
71.29684	0.7
73.02911	0.5
77.03906	0.6
79.05495	1.8
81.03413	9.2
85.02906	1.5
90.10847	0.5
91.05493	6.8
93.07018	0.7
93.35129	0.5
95.04978	1.7
97.02890	4.8
99.04441	1.0
103.03981	1.2
103.05470	31.8
104.05750	0.6
105.04579	0.8
105.07034	4.1
107.04951	4.6
108.21141	0.5
109.02877	4.7
115.05427	7.5
115.06147	0.7
116.06327	0.5
117.07029	5.9
119.04932	3.1
121.06491	1.3
127.03945	3.1
128.06224	4.8
129.07013	7.9
129.07910	0.9
131.04927	100.0
131.08519	2.7
132.05295	1.9
133.06505	2.5
133.10130	2.5
134.98810	0.5
137.05991	1.7
139.05380	0.6
141.06982	13.4
142.07826	2.7
143.04913	2.7
143.08521	2.9
144.05704	35.8
145.06488	26.4
145.10146	1.2
146.07210	1.4
147.04402	1.3
147.08052	2.2
149.05984	11.9
149.07202	0.6
151.03941	0.7
152.06137	0.9
153.06984	2.9
154.07716	1.1
155.04907	1.6
155.06038	1.0
155.08551	4.9
157.06487	19.1
157.10092	3.1
158.07111	1.0
159.08076	4.9
160.05202	1.2
161.05966	2.2
161.09616	23.7
162.09929	1.1
165.06998	1.9
167.08495	2.6
168.05656	2.3
169.06487	13.7
169.07919	0.7
169.10130	3.1
170.07272	3.9
171.04369	3.7
171.08063	4.2
172.05142	1.1
173.05986	20.7
173.09648	1.5
174.06500	0.7
175.07529	1.3
178.07701	0.9
181.06496	2.1
182.07297	1.0
183.08076	6.8
184.05211	0.8
185.06070	5.4
185.09621	40.3
186.09914	1.0
187.03888	0.7
187.07529	10.3
187.11086	2.3
189.05479	1.9
189.09131	2.1
193.06444	0.6
193.10156	1.3
195.08127	2.0
197.05957	7.4
197.09630	7.2
199.07524	1.7
199.11159	1.4
201.05521	0.8
201.09167	0.8
203.07028	9.3
209.09668	0.7
211.07730	0.8
211.11159	6.2
213.09152	5.5
215.07034	62.8
215.10648	6.8
216.07384	1.9
217.08633	0.7
217.12248	2.3
221.09665	3.0
227.06920	0.6
227.10652	1.2
229.12173	1.1
233.08092	25.0
239.06987	0.7
239.10651	3.9
245.11714	0.9
257.08078	1.5
257.11700	7.5
258.87323	0.5
275.05972	0.9
275.09177	4.3
275.12793	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71289	0.8
57.07059	2.5
66.18543	0.7
67.05505	1.2
68.89516	0.8
70.06591	4.2
71.08638	0.9
71.31847	0.9
79.05479	1.6
80.68298	0.7
81.07063	2.3
86.10884	0.7
87.04451	1.2
88.07618	5.9
91.05451	1.8
93.07050	2.0
95.04925	1.0
95.08603	1.6
98.97581	1.7
102.09158	2.8
105.07020	4.6
107.08571	1.7
117.06951	1.3
119.08566	2.1
131.08591	1.2
133.10107	2.4
135.15846	0.7
143.08583	0.8
145.10141	1.1
147.11649	1.5
151.03909	3.1
153.05363	1.2
159.11728	1.3
173.09712	0.8
214.21640	9.5
232.08746	1.1
247.07608	0.8
257.15317	0.9
274.87518	0.8
275.16177	100.0
275.19888	3.7
276.16754	3.7
276.25317	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.4
67.05505	1.1
69.07056	0.5
71.30558	0.7
79.05483	1.1
81.07033	1.1
90.61092	0.4
91.05485	3.8
93.07024	0.9
95.04949	0.9
95.08597	0.6
98.97589	1.2
103.87885	0.5
105.07030	1.3
107.04929	1.4
107.08588	0.8
107.76334	0.4
109.03934	0.4
109.06495	0.5
116.98634	1.0
117.07000	0.5
119.04937	2.3
119.08559	1.1
121.10145	0.8
128.06236	0.6
131.08569	1.0
131.15382	0.4
133.10106	0.5
144.95921	0.4
145.10132	0.7
151.07544	6.1
159.11697	0.5
171.07964	0.5
251.76753	0.4
274.97418	0.5
275.16174	100.0
276.16516	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22456	0.5
68.33389	0.5
69.27577	0.5
69.27908	4.4
81.07057	1.8
83.75410	0.6
87.57278	0.5
91.05479	0.9
93.07043	1.2
95.08598	1.0
105.06999	0.7
107.08588	1.3
107.38383	0.5
107.85303	0.7
109.10116	0.7
119.08591	1.5
133.10150	1.3
142.47255	0.5
145.10081	0.9
147.11694	0.6
151.03900	0.5
159.11632	0.6
160.17676	0.5
181.53493	0.5
222.88301	0.7
257.15158	2.5
275.16183	100.0
276.16574	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.25617	1.0
52.06900	1.1
52.39716	1.1
53.03934	4.6
55.01882	7.2
55.05267	1.5
55.05512	16.9
57.03436	1.4
57.07067	3.7
67.05509	29.2
69.03417	2.7
69.07084	10.0
69.40388	5.2
69.40803	2.4
71.04987	4.0
71.08640	1.4
77.35141	1.2
79.05491	29.7
81.03423	7.4
81.07059	27.9
83.04974	4.1
83.08629	8.0
85.06545	3.1
88.07605	1.5
91.05483	33.4
93.07044	31.3
95.04973	9.3
95.08613	25.6
97.06541	2.7
97.10137	1.6
98.23361	1.4
99.08099	1.4
105.07030	38.5
107.04958	24.1
107.08591	21.0
109.06499	4.9
109.10168	9.6
111.08096	2.2
115.05489	1.4
117.07030	11.6
119.08582	25.0
121.06512	14.5
121.10136	15.8
123.04433	4.3
123.08076	12.7
123.11712	2.1
125.09665	1.7
129.06993	3.9
130.07886	1.1
131.08553	14.7
133.06447	2.5
133.10135	23.3
135.08072	6.3
135.11717	8.1
137.09624	6.9
141.07042	1.1
143.08588	3.2
145.06538	1.7
145.10107	13.1
147.08081	3.6
147.11693	12.9
149.09605	11.8
149.13268	2.7
151.11156	2.7
155.08592	2.2
157.10138	4.4
159.08066	2.2
159.11684	10.7
161.09615	2.7
161.13258	8.8
163.11166	7.4
163.14804	1.9
165.09103	4.5
165.12740	2.0
169.10144	1.8
171.11757	3.7
173.09615	1.3
173.13269	6.0
175.11212	2.3
175.14832	2.5
177.12714	5.6
179.10677	1.9
183.11699	2.0
185.13245	1.6
187.11142	3.4
187.14816	2.1
189.12718	2.2
191.14394	2.6
193.12224	1.9
194.36760	1.4
197.13269	2.3
201.12808	2.3
201.16420	1.8
205.12219	2.1
215.14334	2.4
215.17989	1.8
217.15909	1.5
219.13846	2.5
229.19524	5.1
233.15424	1.8
239.18015	2.6
247.20622	3.9
257.19022	13.1
275.07083	1.8
275.20081	100.0
275.27805	6.2
276.20349	3.7
292.37128	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.02392	1.3
53.03943	1.4
55.01879	6.6
55.05513	32.0
57.03432	2.4
57.07064	1.8
59.05016	1.5
60.62468	1.0
62.26715	1.1
65.03944	1.2
67.05503	38.3
69.07064	10.8
69.98787	1.0
71.04992	4.7
71.32609	1.0
79.05495	49.4
80.05816	1.6
81.07056	24.8
83.04973	2.6
83.08626	8.2
91.05482	44.6
91.44045	0.9
93.07044	27.5
95.04977	4.4
95.08609	12.3
97.06547	3.0
97.10184	5.8
103.05446	1.5
105.07030	55.0
107.04953	29.1
107.08594	35.5
107.37616	0.9
109.06511	3.8
109.10162	17.0
111.08093	2.2
115.05421	1.1
116.12202	0.9
117.07015	13.1
119.08582	37.3
120.08952	0.9
121.06508	3.0
121.10158	10.8
122.42025	1.0
123.11710	4.4
125.09644	6.7
129.06992	1.8
129.43073	1.2
131.08571	17.2
133.06471	1.2
133.10132	35.7
135.08047	6.4
135.11717	3.5
137.09647	1.0
141.06970	1.1
143.08528	2.6
145.10127	14.7
147.11699	19.9
149.09619	54.6
150.09966	1.8
151.11243	1.1
153.09125	1.9
155.08606	2.4
155.10667	1.4
157.10141	1.9
159.11688	11.5
161.09647	2.0
161.13264	8.2
163.11156	2.8
169.10152	2.8
169.12283	1.6
171.11716	2.4
173.11717	4.2
173.13301	6.8
175.11206	1.9
177.12837	1.1
179.10716	1.6
183.11723	2.2
184.00999	1.0
187.11237	2.9
187.13342	1.8
187.14874	2.1
193.12294	0.9
197.13292	2.8
201.12634	1.1
204.97716	1.0
205.12253	1.4
215.14484	1.2
215.17998	2.9
217.10181	1.9
229.19511	10.7
230.10773	1.1
231.07919	1.2
231.11700	1.6
232.12584	1.8
233.15421	2.2
239.17935	3.5
244.08040	0.9
245.09787	1.5
246.14000	1.6
247.20667	2.2
257.19016	20.2
260.12320	1.0
260.15588	2.9
275.06955	5.0
275.14114	4.3
275.20120	100.0
276.07565	1.1
276.20471	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
50.81411	0.6
51.02377	0.9
53.03948	1.5
55.01871	7.0
55.05513	17.5
57.03426	0.8
57.19678	0.8
57.45407	0.7
65.03931	1.1
67.05506	16.8
67.05882	1.1
69.03416	1.1
69.07069	11.2
71.04997	1.5
77.03905	0.8
79.05494	19.3
79.05959	1.1
81.03414	1.6
81.07056	35.2
83.04978	2.3
83.08623	4.9
84.70033	0.8
85.06550	1.4
91.05479	57.7
93.07040	19.8
95.01329	1.3
95.04969	3.7
95.08596	11.9
96.66051	1.0
97.06525	8.9
97.10163	2.8
97.63900	0.7
103.05464	2.4
104.06185	0.7
105.07029	100.0
106.07372	1.7
107.04962	3.7
107.08597	11.2
109.06545	1.6
109.10161	3.4
111.08099	1.2
115.05495	0.7
117.07017	11.4
119.08580	38.5
121.06503	1.7
121.10155	4.8
123.08037	1.3
123.11728	1.1
125.09713	0.9
129.07022	1.8
131.07565	1.1
131.08565	20.3
133.10126	53.6
134.10469	1.5
135.08037	2.2
135.11644	3.8
137.09602	1.9
143.08609	2.6
145.10117	12.9
147.11690	20.4
149.09601	2.6
149.13260	1.2
151.11223	1.5
155.08502	1.2
157.10124	2.0
158.10928	0.8
159.11690	5.7
161.09726	0.8
161.13229	2.7
163.11226	1.8
165.09076	1.8
169.10147	1.1
171.11725	2.6
173.13248	2.6
174.82010	0.7
177.12720	1.1
183.11726	2.0
189.06833	0.8
190.07823	1.3
191.08589	0.9
197.13246	2.0
201.12732	0.9
219.08067	1.1
219.17545	0.8
220.34605	0.7
229.19470	1.0
239.18018	1.9
247.07527	1.8
247.20724	2.2
257.19028	6.0
275.06989	5.8
275.20059	69.2
276.07782	2.2
276.20447	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03943	2.3
55.01870	3.4
55.05512	15.1
57.03434	3.5
57.07077	3.7
67.05507	20.1
69.03465	1.6
69.07067	9.5
69.78649	3.0
69.79046	1.8
70.06596	4.1
71.04996	4.0
74.47636	1.0
79.05499	25.2
81.07058	23.8
83.04971	4.6
83.08626	4.8
85.06538	3.2
88.07635	6.1
89.07927	1.3
91.05481	38.4
93.07040	25.0
95.04972	4.1
95.08604	14.5
97.06530	2.3
97.10185	1.8
103.05492	1.8
105.07035	48.6
106.08669	3.6
107.04962	6.1
107.08585	16.1
109.06514	9.0
109.10176	7.3
111.08074	2.2
115.05468	1.8
117.07017	11.7
118.57924	1.1
119.08589	36.8
121.06528	4.0
121.10160	10.9
123.08067	4.3
123.11720	2.5
129.07030	4.6
131.08563	17.5
133.10126	33.9
135.08064	11.1
135.11665	5.0
137.09628	5.2
142.07793	1.2
143.08578	4.7
145.10121	15.6
146.27374	1.1
147.08095	1.4
147.11697	19.4
147.12761	1.8
149.09604	6.4
149.13252	2.6
151.11209	2.5
155.08543	2.5
157.10124	6.2
158.10947	1.1
159.11690	17.0
161.09647	2.5
161.13274	6.0
163.11197	4.8
165.09210	1.3
169.10139	3.6
171.11739	3.2
173.13251	14.6
174.13811	1.2
175.11209	4.5
175.14790	2.1
177.12743	2.7
183.11729	4.6
185.13318	2.0
187.11215	2.0
191.14192	2.6
197.13239	2.8
199.14854	3.7
201.12749	2.6
203.14285	2.0
211.14861	1.2
215.18008	2.3
217.10191	1.3
229.15993	1.2
229.19537	1.8
231.25040	1.1
233.19102	1.9
239.17943	4.8
247.20645	5.0
257.19006	12.7
257.26700	2.5
275.20096	100.0
275.27756	46.2
276.20438	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03942	1.8
55.01869	5.1
55.05510	12.4
57.03422	1.5
57.07066	1.1
58.96104	0.3
59.05021	0.4
65.03937	1.5
67.05504	17.7
69.03442	1.7
69.07069	10.2
71.04985	2.3
71.11458	0.3
71.31044	0.4
71.89940	0.3
73.06568	0.4
77.03925	0.5
79.05493	18.0
81.03406	0.7
81.07054	22.7
83.04983	9.1
83.08611	3.9
85.06536	1.2
91.05478	27.1
93.07042	24.2
95.04969	5.6
95.08601	12.6
97.06531	4.1
97.10154	1.5
99.08085	0.4
103.05463	0.8
105.04576	0.6
105.07027	35.7
106.07398	0.5
107.04946	4.3
107.08592	15.5
109.06520	7.5
109.10162	5.1
111.04401	0.4
111.08080	2.0
113.06024	0.5
115.05453	1.3
115.96227	0.3
116.06235	0.6
117.07019	8.0
118.07815	0.4
119.08577	19.9
121.06500	9.4
121.07362	0.7
121.10143	7.9
123.08076	6.3
123.11720	1.8
125.05963	0.4
125.09608	1.0
127.07605	0.4
128.06227	0.7
129.06967	3.0
130.07799	0.7
131.07564	0.7
131.08563	15.4
133.06487	2.2
133.10129	19.1
134.07382	0.3
135.08044	5.2
135.10718	0.5
135.11668	3.7
137.05994	0.4
137.09615	1.9
139.11113	0.3
140.86383	0.3
141.06969	0.9
142.07762	0.8
143.08572	3.0
145.06467	1.5
145.10117	11.1
146.10701	0.4
147.08058	3.8
147.11684	14.8
149.09618	6.9
149.13290	2.2
151.11142	1.8
155.08554	1.3
157.10135	3.1
159.08069	1.7
159.11678	8.0
161.09642	3.1
161.13275	3.7
163.11183	4.9
163.14806	0.5
163.21680	0.3
165.09171	0.6
165.12784	0.7
167.08481	0.4
169.10124	1.4
171.11679	2.3
173.09604	1.8
173.13271	4.7
175.11172	2.4
175.14809	0.8
177.12759	1.8
179.14284	0.6
183.11732	2.6
185.13258	1.0
187.11162	1.7
187.14790	1.1
189.09103	1.6
189.12755	1.0
191.14284	2.0
193.12204	0.7
197.13275	1.8
199.14862	0.8
201.12784	2.9
201.16393	0.3
202.13274	0.3
205.12254	1.0
205.19492	0.4
207.13762	1.4
211.14708	0.4
213.16446	0.6
215.08585	0.4
215.10760	0.5
215.14339	1.9
215.17908	2.1
217.10153	1.0
217.15836	0.5
219.11784	0.7
219.13741	2.9
219.17358	0.6
229.15918	0.4
229.19626	2.0
230.15068	0.4
231.11774	0.7
232.12370	0.5
233.13261	0.4
233.15364	1.0
233.19037	1.3
239.17862	3.6
245.09666	0.5
245.13243	0.8
247.20561	2.9
257.16132	0.5
257.18988	10.7
260.11969	0.8
260.15359	0.7
275.20062	100.0
276.09048	0.3
276.20428	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03947	1.8
55.01855	1.2
55.05512	8.1
57.07066	1.1
65.03928	1.3
67.05189	1.5
67.05510	22.0
68.00878	0.7
68.99861	0.7
69.07072	7.1
71.04996	1.8
79.05489	19.3
81.07058	27.7
83.04962	1.3
83.08627	2.4
85.06535	2.4
91.05482	30.8
93.07043	27.7
93.64935	0.8
95.04945	1.6
95.08603	26.0
97.06528	1.5
97.10154	1.4
98.86459	0.7
101.77682	0.8
105.07033	35.1
106.08627	0.8
107.08595	18.6
109.06499	1.4
109.10154	13.2
111.45918	0.8
115.05437	0.9
115.70458	0.8
117.07001	5.5
119.08578	32.0
121.06563	1.0
121.10142	19.6
123.04211	3.6
123.08087	2.0
123.11684	3.8
129.07025	2.7
131.08565	11.5
133.10130	31.2
135.08067	3.8
135.11699	7.5
137.09604	1.3
141.06989	2.5
143.08539	2.3
145.10117	12.1
147.08028	2.2
147.11691	35.5
149.09602	3.5
149.13225	4.6
153.09082	4.0
155.08551	1.9
157.10133	3.7
159.08063	1.3
159.11681	7.7
161.09625	4.4
161.11923	1.5
161.13261	25.7
163.11194	2.2
165.09120	2.6
167.10675	3.1
169.10107	3.8
171.11702	2.7
172.61507	1.0
173.09711	1.7
173.13274	7.6
175.11169	3.7
175.14838	2.2
179.10721	5.0
181.12267	2.9
183.11655	3.8
185.13284	1.8
187.11131	3.5
187.14839	2.3
193.12210	4.6
197.13249	1.9
201.12766	5.5
201.16354	1.0
202.19682	0.9
205.12259	3.0
211.14839	2.0
213.16338	2.6
215.14389	2.2
215.17886	8.0
219.13803	3.7
229.15845	6.5
229.19432	1.5
233.15350	1.5
239.17935	7.9
257.18982	10.1
275.16367	9.2
275.20068	100.0
275.27841	2.8
276.20383	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.12899	0.5
52.21503	0.5
53.03943	1.7
55.01876	3.3
55.05510	13.0
57.03443	1.4
57.07062	2.3
60.95911	0.5
63.22313	0.5
63.84023	0.6
65.03927	1.5
67.05506	20.5
69.03421	1.0
69.06725	0.9
69.07070	12.5
71.04986	2.1
71.08624	1.4
73.01112	0.6
73.06571	0.6
77.03960	0.5
79.05495	20.6
81.07058	31.4
82.07352	0.7
83.04971	1.6
83.08628	5.9
85.06532	1.8
91.05480	34.4
93.07047	26.0
95.04962	2.6
95.08603	24.5
96.39678	0.5
97.06515	2.8
97.10171	3.3
98.23430	1.3
103.05467	1.1
105.07030	46.7
106.07356	0.5
107.04962	2.5
107.08593	22.9
109.06544	3.3
109.10155	12.7
111.08051	0.9
111.11745	0.6
111.31124	0.5
115.05447	0.6
115.07526	0.6
117.07026	9.2
119.08580	33.0
121.06498	3.3
121.10143	14.6
123.08092	2.8
123.11716	4.8
125.09638	0.8
127.07566	0.7
129.07030	2.9
130.07736	0.6
131.08566	15.1
133.06493	1.9
133.10126	29.4
134.10396	0.7
135.08075	4.8
135.11687	7.9
137.09596	1.6
137.13231	1.1
141.06956	1.8
143.08600	3.0
145.10118	15.9
146.10797	0.7
147.08054	1.7
147.11678	24.1
149.09618	6.7
149.13281	7.6
151.07530	0.6
151.11150	1.3
151.14838	0.8
153.09122	1.1
155.08577	2.1
157.10141	3.6
159.08047	1.1
159.11691	9.5
161.09648	2.1
161.12065	1.0
161.13275	8.8
162.02490	0.6
163.11192	3.3
163.14870	3.8
165.09091	1.4
165.12727	0.9
165.16428	0.8
167.10736	1.4
167.83418	0.5
169.10123	2.8
171.11682	2.3
173.09592	0.8
173.13225	6.6
175.11179	2.2
175.14819	2.7
177.12785	1.3
177.16412	1.6
179.10686	1.4
183.11713	3.1
185.13275	1.9
187.11119	1.8
187.14757	2.1
189.16281	0.6
191.14375	1.0
193.12296	2.0
197.13268	2.8
199.14882	0.6
201.12741	2.5
201.16508	0.9
203.17911	0.7
205.12265	0.6
205.19499	0.6
211.14807	1.8
213.16309	1.0
215.14314	1.4
215.17975	5.2
219.13824	1.7
219.21161	0.9
229.15849	2.7
229.19501	2.8
229.32097	0.6
233.15332	1.1
233.19012	0.6
239.17978	5.2
247.20576	1.8
257.18991	10.6
260.11896	0.8
275.20065	100.0
275.26978	6.6
276.20419	4.6
286.53519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03934	2.1
55.01867	2.1
55.05513	12.9
56.48932	0.8
57.03442	2.8
57.07064	3.8
65.03948	1.0
67.05180	1.5
67.05507	19.6
69.07072	10.5
69.22298	7.9
70.06591	5.6
71.04980	4.1
71.06907	1.5
77.03925	1.2
79.05492	19.4
81.07056	24.8
83.04972	3.5
83.08617	2.5
85.06545	3.2
88.07625	5.3
89.07978	1.3
91.05481	38.1
93.07048	20.2
95.04971	3.9
95.08611	16.2
97.06535	2.8
97.10146	1.3
98.23361	1.9
99.95945	0.9
103.05473	1.6
105.07029	48.6
106.07381	1.4
106.08688	3.3
107.04959	6.2
107.08590	13.7
109.06513	6.5
109.10151	5.1
111.08067	2.6
117.07017	10.0
119.08580	32.8
121.06492	4.6
121.10138	8.0
123.08069	4.5
123.11713	1.7
125.09603	1.7
128.06195	1.3
129.07011	3.2
130.07794	1.0
131.08563	15.7
133.06551	1.1
133.10130	35.9
135.08057	5.4
135.11696	6.2
137.09627	2.2
138.72908	0.9
141.06981	1.1
142.07816	1.3
143.08549	4.0
143.31215	1.1
145.06485	1.8
145.10129	12.6
147.08105	1.2
147.11684	17.9
147.12756	1.6
149.09616	6.9
149.13300	0.9
151.11208	1.7
155.08559	2.4
157.10114	6.1
158.10785	1.3
159.11685	12.7
161.09622	1.8
161.13248	5.5
163.11169	4.1
169.10114	3.3
171.11693	4.5
173.13269	9.8
175.11205	2.0
175.14880	2.6
177.12816	3.2
183.11629	4.7
185.13287	2.1
187.11234	2.2
187.14766	1.9
191.14317	3.0
197.13252	3.4
199.14847	2.6
201.12755	2.3
201.16438	1.8
203.14375	1.6
213.16446	1.7
215.18008	1.6
219.13762	1.8
229.15901	1.1
229.19589	2.9
233.19110	1.0
239.18019	4.7
245.09529	1.0
247.20621	3.2
257.18912	10.7
257.20929	0.9
257.26642	1.7
274.27335	1.6
275.14059	2.8
275.20087	100.0
275.27737	41.6
276.20413	2.6
276.27820	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Apo-13-zeaxanthinone
Peak:m/z	Relative Intensity
55.01839	1.0
55.05451	2.6
57.07039	0.8
65.03897	0.7
67.05441	2.6
69.03365	0.7
69.07005	9.7
71.04958	1.2
71.30561	1.0
79.05425	2.2
81.07055	4.1
83.04922	1.7
83.08591	1.2
83.71529	0.6
85.06476	0.9
91.05476	3.8
93.07032	7.4
95.04913	1.6
95.08611	7.7
97.06470	1.0
105.07031	5.2
105.61699	0.5
107.04898	1.0
107.08602	5.4
109.06456	1.7
109.10168	3.0
111.04387	1.3
111.08073	20.8
111.11655	0.9
113.09654	1.0
117.07014	1.3
119.08578	6.6
121.06519	2.7
121.10152	5.6
122.07299	4.3
123.08067	14.4
123.11626	1.3
129.06950	1.0
130.07726	0.7
131.08560	4.3
133.10132	4.0
134.96230	0.6
135.07111	0.9
135.08055	16.6
135.11731	3.1
135.12625	0.9
137.09604	1.2
143.08511	1.6
145.10146	3.4
147.11665	3.8
148.08818	1.0
149.09570	2.5
149.13297	1.3
157.10114	1.7
159.11671	3.8
161.09583	1.8
161.13200	1.0
163.11169	2.9
163.14874	0.6
165.12733	3.1
169.10027	0.8
171.11705	5.1
173.13196	2.2
175.11226	0.9
175.14845	1.5
176.11961	4.6
181.12241	16.0
182.12595	0.8
183.11806	0.6
187.11240	0.7
187.14803	0.6
189.07021	2.8
189.12790	1.4
190.07780	1.7
191.14305	100.0
192.14642	2.4
199.14761	2.1
203.08516	0.9
205.12259	0.6
205.15933	0.7
215.14343	0.6
215.17996	1.9
217.06503	1.1
217.10037	0.9
217.15941	2.8
218.07298	0.8
218.10876	0.8
219.08070	1.4
231.11743	0.7
232.12491	1.1
233.13326	1.0
239.17911	0.8
245.09541	0.7
245.13258	1.1
247.07631	2.1
257.18976	4.1
260.11758	0.6
260.15524	0.7
275.07019	11.1
275.14236	3.1
275.18024	2.2
275.20166	31.5
275.27844	1.4
276.07733	3.5
276.20441	1.8
278.59479	0.6
285.66266	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90817	5.1
70.61272	13.7
82.99852	8.1
93.36930	5.2
98.70538	5.1
101.00883	77.5
113.00831	8.9
115.02412	7.6
119.01913	60.2
121.01653	6.4
131.01892	18.9
133.03447	29.7
137.02942	7.1
143.01894	43.8
145.03470	16.6
155.01923	19.3
157.03429	16.7
161.02959	88.4
162.03217	7.5
171.04982	5.8
173.02937	33.3
175.04494	29.9
179.04111	6.3
185.02948	20.0
187.04538	11.1
191.04005	25.5
203.04088	9.3
217.05650	6.5
245.05011	15.0
250.22124	6.5
263.06253	11.5
277.03168	18.1
277.07669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59415	12.2
55.22823	13.7
55.47263	11.4
69.86282	23.4
69.86671	35.0
75.90953	11.6
97.27235	10.8
98.23236	16.3
121.01646	19.3
150.08389	12.3
166.03418	12.8
212.56181	12.3
277.03210	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06963	5.6
70.00271	15.9
72.73354	4.2
82.99860	7.8
101.00889	53.0
107.59920	4.5
113.00880	13.3
115.02414	10.1
119.01917	58.6
121.01606	4.2
121.97052	4.6
124.78503	4.3
131.01892	22.7
133.03484	18.0
137.03033	6.1
143.01880	36.1
145.03499	11.3
149.03020	6.1
151.26613	4.1
155.01898	20.9
157.03450	14.3
161.02953	100.0
169.84818	4.4
173.02917	30.7
175.04538	14.2
185.02887	11.2
187.04636	6.5
191.04083	13.7
203.03989	10.0
205.05615	5.0
245.05109	21.4
277.03217	18.8
277.07712	93.5
278.07886	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.107
Annotation	Illudalic acid
Peak:m/z	Relative Intensity
53.03949	0.8
55.01852	1.4
55.05508	1.5
57.03429	1.4
58.14241	0.6
62.85474	0.7
65.03944	3.3
67.05506	42.1
68.49648	0.6
69.03424	5.7
69.07062	2.4
69.18059	5.7
71.04985	1.1
79.05505	1.9
81.03419	1.0
85.02905	1.7
88.95506	0.6
89.03943	1.5
91.05473	1.2
95.04969	100.0
95.08593	0.8
96.05294	1.3
97.02861	1.6
97.06532	5.9
99.04446	0.7
100.11230	1.0
105.07050	1.2
115.03943	0.6
115.05468	1.6
117.03381	1.1
117.06991	0.8
121.10162	1.0
123.04404	4.3
126.12343	0.6
128.06163	1.3
129.06979	1.0
133.06552	0.8
135.04416	4.5
141.06979	0.8
142.02513	0.6
143.04950	0.8
143.08583	2.1
147.04427	1.9
151.03917	0.8
153.07065	0.8
157.06470	0.8
157.10115	1.5
159.04413	1.1
160.05208	2.8
161.02356	3.0
161.05968	9.0
163.03920	13.1
164.04701	1.5
165.05493	13.0
167.08620	4.4
169.06430	0.8
171.08017	2.3
173.02377	3.4
173.05983	3.3
174.06784	1.5
175.03906	1.3
175.07535	4.2
176.04689	2.0
177.05446	1.0
181.06520	2.1
185.05901	1.0
185.09616	1.6
187.07564	1.6
189.05492	1.4
189.09102	11.1
195.08060	7.2
198.06909	0.9
199.07553	3.2
201.09120	1.4
203.10698	2.5
206.07428	0.9
209.04459	10.4
210.45932	0.7
213.09116	11.3
215.07047	9.6
215.10648	0.6
217.08601	9.1
223.07619	0.9
226.06148	0.6
231.10139	6.8
233.08189	1.4
234.06812	1.3
241.08630	3.7
249.09042	1.0
259.09656	54.8
260.09991	2.4
277.08676	1.4
277.10858	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01862	0.4
55.05516	3.7
57.03429	0.3
57.07074	1.6
63.66757	0.3
67.05503	2.7
69.03422	0.8
69.07066	6.8
69.11402	1.5
69.11832	1.5
71.04993	0.6
71.08641	0.7
79.05503	2.1
81.07060	6.2
83.08619	2.6
85.06551	0.7
85.10155	0.5
91.05473	1.5
93.07043	4.6
95.04947	0.8
95.08615	6.5
96.08965	0.3
97.06528	0.8
97.10190	1.8
100.60418	0.3
105.07041	3.0
107.08597	3.7
109.06525	0.8
109.10148	3.5
111.08114	0.6
111.11713	1.1
113.09673	0.5
117.07037	0.4
119.08581	2.2
121.10145	2.7
123.08092	1.1
123.11699	1.7
125.09664	0.7
131.08545	0.4
133.10130	2.1
134.38824	0.3
135.11688	1.9
137.09627	1.0
143.08617	0.4
145.10118	0.6
147.11679	1.7
149.09711	0.4
149.13248	2.9
151.11209	1.1
159.11673	0.4
161.13297	1.2
162.78148	0.4
163.14777	0.7
165.12724	0.4
175.14853	0.5
189.16422	0.5
197.32582	0.3
207.11787	0.4
207.13455	1.6
241.19479	0.4
246.06674	0.3
259.16833	0.6
259.20587	0.5
259.24304	1.9
277.17770	100.0
277.25018	6.3
278.18137	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01878	3.6
55.05515	8.2
55.33113	0.4
55.80324	0.5
57.03431	0.8
57.07079	1.9
62.55506	0.4
65.03961	0.6
67.05505	16.4
68.24604	0.4
69.07070	6.7
71.04983	1.1
71.08633	5.8
79.05495	18.4
79.05969	0.9
81.03429	2.0
81.07054	16.2
81.07527	0.9
81.38545	0.6
83.04993	2.0
83.08603	3.6
85.06561	0.8
89.90840	0.5
91.05488	10.2
91.06015	0.9
93.07042	23.7
95.04980	4.4
95.08604	9.7
95.09164	0.8
97.06519	2.6
97.10173	1.6
99.08086	4.5
105.04533	0.6
105.07033	8.3
107.04954	1.2
107.08594	14.1
107.71056	0.4
109.06501	2.4
109.10147	4.6
111.08083	3.3
113.09594	0.5
117.07023	2.4
119.08583	6.2
121.06529	1.3
121.10139	9.3
123.08083	1.5
123.11724	1.7
125.09658	0.7
128.06213	0.5
129.07039	1.7
131.08575	1.8
133.10127	4.4
135.08061	1.0
135.11687	7.8
137.09592	0.8
139.03986	0.5
139.07544	0.5
139.11201	0.9
141.12735	1.3
143.08582	1.9
143.93819	0.5
145.10132	2.6
147.08124	0.7
147.11679	5.0
148.60135	0.5
149.09627	1.2
149.13269	6.0
151.11205	3.8
153.12674	0.5
153.27612	0.5
157.10214	1.3
159.11725	1.7
161.09607	1.1
161.13261	3.2
163.11205	4.7
163.14810	2.5
165.12781	2.0
167.14171	0.5
171.11720	2.0
173.13304	1.1
175.11072	0.9
175.14833	1.6
177.08978	0.7
177.12766	0.8
177.16423	0.6
179.14339	2.0
185.13318	1.0
189.12764	0.8
199.14809	1.0
205.36212	0.5
207.13718	1.1
217.19504	1.1
218.80267	0.4
221.15398	0.9
228.78368	0.4
231.21167	1.2
235.16982	0.7
241.19350	2.2
249.21957	0.8
250.83047	0.5
259.20578	4.8
277.17780	100.0
277.21625	33.3
278.18091	3.7
278.21918	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.8
57.07071	0.6
63.48384	0.3
63.85387	0.4
67.05489	1.3
69.07048	1.1
79.05482	1.9
81.07047	1.6
91.05468	1.0
93.07072	1.7
95.08594	1.5
105.07037	1.0
107.08605	1.3
108.90452	0.4
109.06531	0.4
109.10171	0.4
119.08552	1.1
121.10152	1.2
123.11700	0.6
131.08575	0.6
133.10136	0.9
135.08040	0.6
135.11674	1.1
142.73402	0.3
149.02382	2.1
149.13258	0.7
159.11708	0.6
173.13319	1.0
177.08942	0.7
179.10675	0.5
185.72008	0.4
186.64305	0.3
259.16837	0.5
276.09290	0.4
277.17761	100.0
278.18054	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
57.03421	0.4
66.17879	0.4
67.05489	1.2
69.03425	2.3
69.16346	1.4
69.16766	1.9
71.08649	0.5
81.07030	0.9
93.07037	1.5
95.08610	1.0
105.07042	0.7
107.08577	0.6
109.10152	0.5
119.08595	0.5
121.10101	0.6
121.37856	0.4
133.10080	0.4
135.11739	0.5
206.07323	0.5
234.06837	0.7
249.09109	0.7
266.54349	0.4
277.08871	1.8
277.17746	100.0
278.18085	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.9
55.01868	9.7
55.05505	6.1
57.07084	5.1
58.07397	2.8
66.37529	0.7
67.05511	8.7
69.03400	1.6
69.07071	4.8
70.06591	5.6
71.06927	3.8
71.08632	2.5
72.08968	2.1
79.05495	10.3
80.05837	0.8
81.07060	41.3
82.07407	1.3
83.04992	1.7
83.08640	2.2
88.07629	4.8
89.07961	3.0
90.08057	2.1
91.05490	5.8
93.07043	11.4
95.01257	0.9
95.08624	7.6
97.06530	1.9
102.09229	1.1
105.07024	5.1
106.07347	0.9
106.08662	2.2
107.08540	4.8
108.09100	2.1
109.06528	12.8
109.10150	3.5
111.04438	11.8
111.08099	1.6
116.98650	1.0
119.08578	7.0
121.06469	0.9
121.10149	5.6
123.08067	1.8
123.11694	2.5
125.05984	3.2
131.08575	2.6
133.10144	5.1
135.08069	2.4
135.11705	6.1
137.05980	100.0
137.09558	1.8
137.13222	1.3
138.06316	1.8
143.08559	1.7
145.10139	1.6
147.08063	1.4
147.11671	6.3
149.09636	3.7
149.13260	1.9
151.07553	2.9
151.11179	1.7
157.10088	2.3
158.48158	0.9
161.09608	4.1
161.13245	2.9
163.11153	2.7
165.09134	1.5
175.11229	5.0
177.94978	0.8
179.10632	2.0
203.18008	5.4
213.16391	2.3
221.18985	1.3
223.14798	1.2
230.96754	1.0
231.17384	6.4
241.15872	1.9
249.18491	3.2
258.27045	1.7
259.27350	3.5
263.93433	0.8
276.28070	26.6
277.08554	3.1
277.12189	1.0
277.15085	1.2
277.17834	12.8
277.21368	8.6
277.28290	57.2
278.09290	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03934	4.8
53.16108	1.6
55.01867	3.7
55.05511	19.8
57.07069	2.5
58.95121	1.4
59.68103	1.6
65.67374	1.6
67.05183	2.4
67.05505	32.7
69.07067	15.1
69.30499	7.2
71.04990	1.8
77.03941	2.4
79.05493	72.1
81.07055	36.6
83.04978	2.2
83.08613	7.6
83.48295	1.7
85.06548	3.4
86.74434	1.9
90.94069	1.6
91.05476	25.3
93.07041	100.0
95.04974	4.2
95.08609	28.3
97.06499	2.7
97.10171	3.3
98.23376	3.3
105.04488	2.4
105.07025	18.7
107.08589	53.1
109.06500	2.2
109.10143	13.7
109.21114	1.7
111.08014	1.8
117.06989	4.6
119.08583	13.4
121.10135	62.3
123.08052	2.7
123.11678	4.7
129.06978	1.8
131.08592	4.7
133.10141	13.3
135.11690	62.0
143.08525	2.8
145.10097	4.2
147.11755	10.0
149.13248	26.6
159.11707	4.6
161.09680	1.9
161.13275	9.5
163.11169	3.3
163.14854	7.9
165.07085	2.3
171.11729	3.6
173.13277	5.2
175.14862	2.9
177.12727	3.5
178.07835	2.6
185.13297	3.6
193.12212	1.9
195.13799	3.7
205.06412	2.4
206.07159	2.7
207.07965	2.1
207.13884	2.3
213.16411	2.1
216.58995	1.8
219.08098	2.1
221.09668	3.7
221.15295	3.8
234.06796	5.8
235.07526	3.1
235.16978	4.5
241.19501	2.7
249.05353	2.6
249.09050	5.7
259.20490	4.8
262.06125	2.3
262.09863	3.5
263.07318	1.9
267.41412	2.0
277.04944	6.1
277.08606	27.2
277.12146	7.7
277.21625	87.7
278.05688	3.0
278.09351	5.4
278.12863	1.5
278.21844	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
50.66062	0.8
53.03944	6.0
53.22240	0.8
55.01873	4.5
55.05513	16.2
57.03420	1.4
57.07080	5.4
65.03936	2.3
67.05505	46.0
69.03428	1.2
69.06731	1.1
69.07070	16.0
69.77535	2.1
69.77945	2.4
70.06564	1.7
71.04996	4.5
71.08633	18.5
72.18601	0.7
77.03917	1.3
79.05495	52.7
81.03407	5.5
81.07058	43.1
83.04976	3.7
83.08626	8.1
85.06550	2.9
85.10171	1.1
88.07635	1.9
91.05478	30.3
93.07047	73.7
95.04981	10.4
95.08607	25.6
97.06554	5.6
97.10170	5.5
98.23341	1.2
99.08092	14.7
105.04539	1.5
105.07033	22.4
107.04967	5.3
107.08592	37.4
108.08968	1.5
109.06517	4.9
109.10155	12.2
111.08070	2.3
115.05368	1.0
117.07008	5.4
119.07753	1.5
119.08576	14.8
121.06491	3.3
121.10144	23.5
123.08067	2.8
123.11700	3.4
125.09583	2.0
127.07613	1.0
129.06989	2.9
131.08560	5.7
133.06361	0.9
133.10120	10.8
135.08061	2.3
135.11691	26.1
136.12019	1.1
137.09625	1.6
137.13235	1.1
139.11179	0.9
141.12738	3.7
142.07750	1.0
143.08554	4.0
145.10118	8.5
147.08029	2.2
147.11687	12.2
149.09595	1.5
149.13271	14.7
151.11159	8.7
153.09081	1.4
157.10129	3.0
159.11693	4.0
161.09601	3.7
161.13248	9.4
163.11186	12.4
163.14806	7.1
165.12770	3.9
167.10641	0.9
167.14383	1.3
168.29909	1.0
169.12202	1.4
171.11609	5.4
173.13255	1.9
175.11203	1.8
175.14787	4.7
177.12746	1.9
179.14301	3.3
181.12239	1.8
185.13264	4.4
189.12759	2.2
189.16344	0.9
193.12178	1.9
193.16020	1.0
195.13832	2.1
199.14830	2.3
203.14168	1.3
207.13882	4.2
217.19579	2.4
221.13431	0.9
221.15323	4.2
228.35349	0.9
231.17404	1.0
231.21117	2.7
235.16959	2.7
241.19498	4.8
249.22218	0.9
259.20596	13.7
259.27213	1.4
262.13382	1.0
277.21637	100.0
277.28229	24.7
278.21979	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
53.16108	1.6
55.01867	3.7
55.05511	19.8
57.07069	2.5
58.95121	1.4
59.68103	1.6
65.67374	1.6
67.05183	2.4
67.05505	32.7
69.07067	15.1
69.30499	7.2
71.04990	1.8
77.03941	2.4
79.05493	72.1
81.07055	36.6
83.04978	2.2
83.08613	7.6
83.48295	1.7
85.06548	3.4
86.74434	1.9
90.94069	1.6
91.05476	25.3
93.07041	100.0
95.04974	4.2
95.08609	28.3
97.06499	2.7
97.10171	3.3
98.23376	3.3
105.04488	2.4
105.07025	18.7
107.08589	53.1
109.06500	2.2
109.10143	13.7
109.21114	1.7
111.08014	1.8
117.06989	4.6
119.08583	13.4
121.10135	62.3
123.08052	2.7
123.11678	4.7
129.06978	1.8
131.08592	4.7
133.10141	13.3
135.11690	62.0
143.08525	2.8
145.10097	4.2
147.11755	10.0
149.13248	26.6
159.11707	4.6
161.09680	1.9
161.13275	9.5
163.11169	3.3
163.14854	7.9
165.07085	2.3
171.11729	3.6
173.13277	5.2
175.14862	2.9
177.12727	3.5
178.07835	2.6
185.13297	3.6
193.12212	1.9
195.13799	3.7
205.06412	2.4
206.07159	2.7
207.07965	2.1
207.13884	2.3
213.16411	2.1
216.58995	1.8
219.08098	2.1
221.09668	3.7
221.15295	3.8
234.06796	5.8
235.07526	3.1
235.16978	4.5
241.19501	2.7
249.05353	2.6
249.09050	5.7
259.20490	4.8
262.06125	2.3
262.09863	3.5
263.07318	1.9
267.41412	2.0
277.04944	6.1
277.08606	27.2
277.12146	7.7
277.21625	87.7
278.05688	3.0
278.09351	5.4
278.12863	1.5
278.21844	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03954	3.1
55.01874	5.2
55.05509	11.6
55.73010	0.6
57.03432	1.3
57.07059	2.3
65.03935	1.1
67.05505	25.1
69.03408	1.0
69.07070	9.3
70.46074	0.7
70.46409	1.1
71.04980	2.3
71.08628	8.1
72.89837	0.5
73.05666	0.5
77.03938	0.7
78.45190	0.5
79.05492	27.7
79.24828	0.4
81.03430	2.7
81.07054	24.1
82.07411	0.6
83.04998	2.9
83.08615	6.7
85.06544	1.9
85.10163	0.6
91.05479	15.3
93.07042	41.7
94.07393	0.5
95.04961	6.2
95.08606	18.7
97.06540	4.2
97.10148	2.5
99.04476	0.6
99.08086	6.1
103.05469	0.7
105.04546	1.2
105.07037	13.5
107.04964	2.4
107.07855	1.0
107.08591	21.0
109.06545	2.9
109.10151	7.4
111.08090	5.1
113.09634	0.7
115.05457	0.5
117.07019	3.2
119.08574	8.7
121.06505	2.2
121.10146	11.6
121.21678	0.5
122.82283	0.5
123.08077	2.4
123.11707	2.4
125.09618	1.5
127.11160	0.5
129.07007	2.7
131.08557	3.7
133.10124	8.0
135.08063	1.7
135.11691	11.3
137.09575	1.2
137.13254	0.9
141.12746	2.0
143.08585	2.4
145.10167	4.7
147.08070	1.0
147.11678	7.0
149.09592	1.4
149.13258	8.6
151.11162	5.0
153.12750	1.3
157.10202	2.4
159.11684	1.8
161.09605	1.8
161.13254	5.1
163.11191	6.0
163.14841	2.8
165.12752	2.9
169.12148	0.8
171.11687	2.9
173.13260	1.4
175.11148	0.9
175.14757	2.8
177.12709	1.2
177.16283	0.7
179.14279	2.2
181.12279	1.1
185.13223	2.0
189.12737	1.1
193.15913	0.5
196.88258	0.5
199.14825	0.7
203.14310	1.5
203.17828	0.5
207.11430	0.5
207.13728	1.4
217.19481	1.1
221.15347	1.9
231.21074	1.4
235.16916	1.7
241.19453	1.4
249.22063	0.9
259.20554	6.2
277.17740	100.0
277.21576	45.9
278.18054	4.3
278.21860	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.3
54.09943	0.2
55.01865	0.9
55.05522	1.2
57.07056	0.3
63.63030	0.2
67.05505	2.1
68.99782	0.6
69.07063	1.0
69.18660	0.7
69.19073	1.2
71.04981	0.2
71.08636	0.4
73.85615	0.2
79.05495	3.4
81.07063	2.9
83.06627	0.2
83.08624	0.6
85.06582	0.3
91.05490	2.3
93.07043	5.6
95.04976	0.5
95.08593	2.0
97.06509	0.3
97.10146	0.3
99.18220	0.2
105.07039	1.1
107.08593	2.9
108.08977	0.2
109.06498	0.3
109.10186	0.6
114.42767	0.2
115.05427	0.5
117.07020	0.3
119.08595	1.1
121.10146	1.9
123.08086	0.3
129.06999	0.4
131.08551	0.4
132.10416	0.2
133.10114	0.5
135.11739	1.6
137.13216	0.3
137.69937	0.2
139.66072	0.3
143.08540	0.3
145.10106	0.5
147.11684	0.9
149.13249	1.0
151.11197	0.3
152.06207	1.1
153.06912	0.4
161.13188	0.4
163.11069	0.3
163.14803	0.3
165.06999	5.6
165.12729	0.3
166.07664	0.7
168.05710	0.4
175.14857	0.3
176.06221	1.0
177.06970	1.2
178.07770	12.5
179.04980	0.5
179.08530	3.3
181.06493	0.6
182.07254	0.4
185.13376	0.4
189.06995	2.8
190.07732	2.2
191.08565	3.4
192.05664	0.8
192.08974	1.2
193.06491	2.4
193.10133	3.7
194.07362	1.2
194.10532	0.3
195.08113	0.5
202.07790	5.0
203.08537	4.9
204.05740	0.5
204.09169	1.0
205.06483	5.7
205.09842	0.4
206.07248	11.8
206.10822	1.3
207.08017	4.4
208.08708	0.3
209.05907	0.3
209.09673	0.3
210.06699	0.4
210.84152	0.3
215.08569	1.2
216.09276	1.0
217.06557	0.7
217.10181	1.4
217.11990	0.4
218.07236	2.1
218.10762	0.4
219.04643	0.6
219.08020	8.1
219.11537	0.5
220.05290	1.3
220.08685	2.8
221.06052	4.9
221.09589	9.1
221.15349	0.3
222.06757	1.3
222.10199	0.8
230.07294	0.3
231.08087	4.7
232.05360	0.3
232.08821	2.3
233.06015	2.2
233.09595	3.5
234.06750	24.0
234.10260	5.1
235.07500	10.4
235.11029	2.1
236.08292	0.6
245.06000	1.0
245.09627	1.6
246.06638	1.2
246.10376	1.5
247.07547	7.7
247.11147	0.9
248.08260	4.8
248.10759	0.4
248.11937	0.3
249.05521	3.8
249.09103	24.3
249.12740	3.9
250.06407	2.2
250.09669	3.3
250.13052	0.4
259.07590	0.8
259.11255	0.6
259.20712	0.5
260.08243	0.6
261.05554	0.9
261.09048	2.2
262.06244	8.9
262.09805	11.4
263.07025	8.6
263.10632	9.7
267.06442	0.5
275.07114	0.4
276.07578	0.8
276.10724	0.3
277.05081	9.4
277.08563	100.0
277.12112	33.2
277.21616	6.5
278.05728	5.4
278.09232	22.0
278.12854	8.8
293.08258	0.5
295.06018	1.4
295.09616	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00592	0.9
53.03947	7.6
55.01868	3.3
55.05508	15.1
57.03437	1.7
57.07071	4.0
61.41810	0.8
65.03936	1.6
67.05502	31.5
69.03411	0.8
69.07062	18.5
69.79073	1.7
69.79490	2.3
71.04996	2.2
71.08616	6.0
79.05489	25.6
80.05795	0.8
81.03414	25.4
81.07050	27.9
83.04973	8.2
83.08624	5.5
85.06557	1.5
85.10194	1.1
89.31818	0.7
89.49369	0.8
91.05475	19.5
93.07036	32.8
94.38007	0.9
95.04967	18.7
95.08604	13.4
97.06544	2.1
97.10166	3.1
99.08080	4.1
105.07027	18.6
107.04952	1.6
107.08584	16.3
109.06522	5.1
109.10149	10.1
110.36665	1.0
111.08083	1.6
113.09628	1.5
115.05443	1.1
117.07016	3.0
119.08579	12.4
121.06517	1.8
121.10149	8.1
123.08094	1.7
123.11695	2.0
125.09645	2.3
128.06198	1.8
129.07016	4.4
130.07742	0.8
131.08578	3.7
133.10124	10.3
135.08066	2.3
135.11679	5.8
137.09631	1.6
137.13226	1.6
141.06979	1.8
142.07785	2.4
143.08531	4.6
145.10146	2.5
147.08092	1.2
147.11676	8.8
149.09630	1.6
149.13239	4.7
151.11172	18.2
153.09074	1.6
154.07770	1.5
155.08591	2.5
156.09331	1.3
157.10097	5.4
159.11690	2.0
161.09650	1.6
161.13251	5.8
163.11194	1.2
163.14809	3.2
165.06923	3.8
165.12749	6.9
166.07771	1.6
167.08612	2.0
169.10114	2.9
171.11674	5.9
175.11203	1.4
175.14806	3.4
177.12804	1.0
178.07751	5.2
179.08528	7.4
179.10762	1.2
179.14282	4.1
180.09290	1.9
181.10129	3.2
183.11749	3.0
185.13223	2.0
189.06992	0.9
189.12741	1.8
191.08511	6.4
192.09329	9.1
193.10126	15.7
193.12007	1.7
194.10887	3.2
195.08011	1.4
195.11687	5.6
199.14836	1.0
202.07838	3.7
203.08546	3.6
204.09306	4.1
205.06523	1.1
205.10089	8.5
206.07153	1.0
206.10851	9.4
207.08122	4.0
207.11723	13.5
207.13766	2.4
208.12263	1.6
209.13313	2.2
215.08609	1.0
216.09377	1.8
217.10069	4.6
217.19456	2.3
218.10880	4.5
219.08171	4.5
219.11664	18.2
220.08842	4.7
220.12393	9.6
221.09793	5.1
221.13283	19.2
221.15326	1.5
222.10321	1.9
222.13992	3.0
229.10080	2.3
231.11748	3.2
231.17415	1.2
231.21075	3.8
232.08612	1.0
232.12285	1.9
233.09711	4.7
233.13219	11.5
234.10434	4.8
234.13927	10.1
235.11215	12.0
235.14790	17.9
236.15265	1.1
241.19478	2.8
244.12419	2.3
245.13248	1.5
247.11201	9.5
247.14781	12.1
248.11900	3.0
248.15562	4.6
249.12657	1.6
249.16357	7.1
249.22107	2.1
259.14838	2.7
259.20624	6.1
261.12769	2.0
262.13501	9.7
262.17065	7.0
263.14120	0.9
263.17926	0.8
268.69568	0.9
277.12381	10.7
277.15869	100.0
277.19461	78.7
277.21799	28.6
278.13077	2.1
278.16254	7.4
278.19901	5.3
278.22601	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.02358	0.9
53.03948	6.4
55.01878	2.4
55.05270	1.7
55.05511	19.6
56.08803	0.9
57.07069	3.3
58.59591	1.0
64.15438	0.8
65.03931	2.1
67.05503	39.8
69.03435	1.3
69.07065	16.3
71.04991	3.2
71.08630	25.6
79.05493	67.1
81.03416	5.1
81.07057	55.5
83.04968	6.3
83.08615	7.2
85.06546	2.9
91.05480	31.2
93.07043	100.0
94.07380	2.3
95.04969	11.4
95.08607	37.9
96.08955	0.9
97.06524	5.1
97.10162	4.1
99.08089	17.0
100.17903	1.0
105.04502	2.7
105.07031	22.0
107.04951	3.3
107.08593	56.5
109.06499	3.6
109.10151	10.6
111.08090	1.5
112.25652	1.0
113.06063	1.5
113.09676	1.1
117.07040	2.5
119.08582	12.9
121.06533	1.4
121.10142	43.4
123.08085	2.5
123.11692	2.8
129.07039	1.7
131.08574	5.8
133.10126	9.8
135.08066	1.1
135.11693	57.8
136.12086	1.4
137.09645	3.3
141.09114	2.7
143.08582	2.3
145.10176	4.5
147.11674	7.3
149.13254	19.0
151.11180	9.7
157.10124	2.4
159.11713	4.2
161.13260	8.5
163.11275	4.5
163.14821	3.5
167.10698	2.1
171.11690	3.4
173.13231	1.3
175.14870	2.1
177.12723	3.0
179.14314	26.1
185.13266	1.6
189.12738	1.5
193.12292	1.1
195.13814	2.1
207.13849	1.3
209.15337	1.1
213.16481	1.4
217.19467	1.1
220.12596	1.0
221.13359	2.0
221.15366	4.1
231.17476	1.3
234.06757	2.5
235.14922	1.7
235.16982	3.6
241.19531	1.7
249.09038	2.1
259.20627	5.1
277.08493	6.1
277.15778	4.2
277.21649	79.4
278.22061	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2526
Annotation	5-(1-hydroxybutan-2-yl)isolongifol-5-ene
Peak:m/z	Relative Intensity
53.03944	2.2
55.05513	53.3
57.03436	1.6
57.06831	1.9
57.07079	23.9
59.04974	1.4
61.94215	1.1
67.05175	2.1
67.05508	32.0
69.03432	4.5
69.07069	100.0
70.07419	2.1
71.05005	6.2
71.08636	9.4
71.28894	1.4
71.29257	1.7
77.03922	1.6
79.05493	18.2
80.73861	1.1
81.07056	79.9
83.04972	3.9
83.08620	37.4
85.06537	3.2
85.10194	5.1
91.05484	12.9
93.07044	38.2
94.07378	1.2
95.04951	3.0
95.08606	74.1
97.06524	5.5
97.09536	2.1
97.10171	34.8
99.04480	1.6
99.08084	1.9
101.09682	1.4
105.06367	2.2
105.07033	24.6
107.08595	35.1
109.06527	8.4
109.10157	45.8
111.08090	7.4
111.11723	21.2
113.09611	1.9
115.11176	3.2
117.06992	2.1
119.08588	23.8
121.10146	32.6
123.08089	9.5
123.11700	22.4
125.09617	4.8
125.13242	2.5
129.06966	1.8
129.12718	5.9
131.08559	2.5
133.10136	14.2
135.10770	2.1
135.11699	20.0
137.09665	7.9
137.13243	8.4
139.11171	3.4
143.08557	2.0
144.08078	1.7
145.10130	4.1
147.11682	22.3
149.02332	2.5
149.09676	1.4
149.13260	21.5
151.11206	8.2
151.14844	4.7
153.12747	2.2
155.06920	1.3
159.11697	2.4
161.13243	19.0
163.03944	1.6
163.14783	10.4
165.12726	11.4
165.16412	4.5
167.17935	4.8
171.11693	1.6
173.13249	1.5
175.14822	7.4
177.16379	5.7
179.14322	10.0
185.13275	1.8
189.16383	6.3
191.17844	1.6
193.15938	1.7
203.17961	7.6
207.17456	1.8
217.19516	2.6
219.17410	1.3
221.75395	1.5
233.22559	3.2
241.19456	1.6
259.24234	31.1
260.24472	2.3
277.09317	1.6
277.17853	28.5
277.21753	8.2
277.25232	94.9
278.25555	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	6.9
58.99877	5.8
61.02921	3.6
65.03922	5.9
68.98299	6.1
69.36967	3.8
70.87267	6.7
81.03409	8.1
82.01434	9.3
85.02897	5.7
86.99298	4.9
93.03401	13.3
97.02853	3.7
98.97610	5.1
100.02508	18.4
101.00897	5.0
103.00636	12.5
105.00311	3.4
107.03429	5.4
118.03522	7.0
119.01913	8.6
121.01651	16.2
121.02873	7.7
131.01920	6.8
131.82562	3.4
133.01607	8.9
133.69420	3.5
135.02946	10.8
137.13904	3.2
139.02457	13.7
145.01689	8.8
149.02327	39.4
151.02419	14.2
153.03961	48.7
155.01915	7.2
157.01718	4.4
157.03484	11.0
159.05049	4.9
161.02951	4.5
163.02646	28.6
167.01904	9.3
169.03484	37.3
171.05037	59.0
175.02676	18.6
176.05687	7.7
177.00653	6.7
179.01921	11.3
183.05161	3.6
187.02879	6.6
187.04556	11.9
189.04138	4.8
192.05110	10.7
194.06564	19.1
195.01460	5.4
197.02957	100.0
207.05365	4.7
215.03998	65.8
220.04527	53.4
233.05052	5.5
238.05602	64.8
247.05040	6.3
256.06668	87.1
257.06781	4.5
274.07764	29.9
279.01041	39.5
279.07590	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
64.08791	7.0
65.91979	6.3
71.28566	11.1
73.02934	11.8
81.03390	10.5
85.42749	7.4
87.77222	8.4
98.97569	32.9
101.00877	11.4
103.00617	19.7
110.97574	16.7
116.98620	18.6
119.01865	16.9
121.01666	33.3
128.98605	9.7
131.01878	7.8
133.01630	19.1
136.94022	21.8
145.01616	10.7
151.02428	11.3
153.04021	35.1
155.01855	11.4
157.01628	21.0
158.99660	23.1
161.02936	13.1
163.02721	32.9
169.03459	32.9
171.05035	31.5
175.02744	33.2
176.05936	11.8
177.00681	18.7
179.01857	10.9
189.00702	10.6
192.05132	9.2
195.01541	10.5
197.02994	85.1
215.03975	46.7
220.04575	39.1
237.02713	7.8
238.05501	42.1
256.06680	60.0
274.07748	20.0
279.04819	100.0
279.07541	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07087	3.8
58.99857	4.3
68.98292	7.6
69.03422	2.0
69.29659	5.5
69.30089	7.0
70.39059	1.5
77.00906	4.2
81.03419	5.9
82.01466	7.4
84.08138	2.4
85.02903	2.7
86.99334	3.3
91.05527	1.8
93.03397	15.2
94.64875	1.9
97.02907	1.7
98.22633	1.7
98.97595	5.8
100.02485	18.5
101.00896	4.9
103.00658	7.7
104.10793	1.9
105.00373	2.7
107.03477	3.2
110.97591	1.9
113.00898	2.1
115.02389	2.9
118.03548	7.5
119.01923	6.4
121.01671	16.8
121.02905	4.3
125.04542	6.1
127.02428	3.2
128.98598	2.2
129.03967	2.8
131.01942	5.3
133.01573	6.5
135.02995	4.0
139.02417	13.8
141.04033	4.4
143.01944	2.6
145.01694	5.4
145.03453	3.6
147.03218	3.7
147.05084	2.7
149.02325	30.8
149.03450	2.3
151.02437	12.6
153.03975	38.2
155.01949	4.0
157.01654	5.7
157.03421	8.7
158.99661	1.8
159.03378	1.9
159.05061	6.4
161.02989	3.8
162.03064	2.7
163.02682	22.7
167.01952	8.7
169.03474	42.4
170.03691	2.1
171.01422	3.7
171.05022	52.3
172.05267	2.4
173.02980	5.4
175.02707	11.0
175.04172	2.2
176.05577	10.2
177.00668	3.6
179.01924	12.4
182.06636	2.4
185.02991	2.9
187.02939	2.6
187.04480	11.1
189.02637	2.9
189.04356	2.5
192.05067	8.8
194.06642	17.9
195.01443	4.2
197.02960	100.0
198.03239	4.3
199.03043	2.3
202.03519	2.5
207.05344	3.1
212.04002	1.9
213.02333	2.2
215.04005	51.3
216.04144	2.7
220.04544	59.3
233.05132	6.0
238.05585	73.8
239.05952	3.8
247.04907	4.8
256.06662	78.2
257.06940	4.3
271.84244	2.0
274.07715	25.7
279.00900	14.7
279.04675	4.9
279.07419	21.3
285.42453	1.8
297.08408	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
57.03444	15.1
59.04998	2.7
60.36370	2.0
61.02933	6.1
62.46994	2.3
62.55214	2.2
63.75764	2.3
64.45589	2.5
65.92197	2.3
67.05495	2.4
69.03432	19.0
71.05000	17.3
73.02919	10.8
75.04480	9.3
79.05500	2.8
80.02411	3.0
81.07032	3.9
83.04987	9.1
85.02904	100.0
87.04449	3.4
91.05488	4.3
93.07054	5.1
95.04951	3.9
97.02892	21.8
99.04429	3.7
105.07027	4.7
107.08615	4.9
109.02899	3.0
109.06561	2.8
111.04462	6.7
115.03931	16.6
127.03954	3.5
129.05464	14.3
133.10172	2.3
139.03966	6.4
145.04959	6.3
147.06512	8.5
149.02374	6.2
157.05063	2.8
157.10187	2.8
171.06650	3.0
243.08479	2.4
261.14838	3.2
279.10229	4.8
279.15979	9.3
280.45737	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.4
57.03433	13.9
57.07082	3.9
61.02924	2.8
61.25127	2.9
69.03425	16.4
71.01333	4.5
71.04987	22.3
73.02912	13.8
75.04469	12.4
79.05476	5.8
79.34592	2.4
81.07033	4.6
83.04973	8.6
85.02902	100.0
92.58281	2.4
95.04947	2.7
95.08602	6.2
97.02899	18.0
105.07052	6.9
109.10173	2.7
111.04428	6.7
115.03948	15.0
121.02875	3.5
124.67696	3.0
127.03920	6.1
129.05467	17.3
140.41965	3.1
147.06496	11.7
149.02332	43.9
153.01860	5.3
157.04933	3.0
165.01854	3.2
171.06512	3.4
177.01884	3.6
191.03401	8.6
207.02902	3.5
219.02959	9.2
219.08095	5.0
247.07574	5.1
251.10661	3.5
279.05212	3.7
279.10120	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42193	3.9
54.11129	3.2
54.58954	3.3
55.01880	6.5
57.03437	7.4
57.07079	10.9
61.02929	11.8
65.03936	4.8
67.05500	6.7
69.03445	19.8
70.79443	9.6
71.05000	4.1
79.05508	4.6
81.03439	11.4
81.07062	10.6
83.04991	5.7
85.02910	91.1
91.03957	10.1
91.05489	12.5
93.07052	12.6
95.04966	7.0
95.08620	8.5
97.02898	23.6
98.97592	7.3
99.04479	8.5
105.07050	14.4
107.04962	7.3
107.08585	10.2
109.02901	4.8
115.05451	4.7
117.07034	10.2
119.04984	7.8
119.08608	11.3
121.02866	6.8
121.06477	4.2
123.04388	7.2
127.03940	23.8
128.49817	3.4
129.07025	3.8
131.04941	6.9
131.08582	10.3
133.06520	4.1
133.10144	9.9
135.08052	4.8
135.11717	5.5
139.03876	4.4
141.06975	6.7
143.08566	5.7
145.04980	47.4
145.06467	11.6
145.10139	10.0
147.04401	19.1
147.11719	8.0
149.02347	100.0
155.08502	4.8
159.11751	6.2
161.05986	10.7
161.09552	6.2
163.05978	17.8
167.03519	4.5
173.06042	10.9
187.07631	6.9
189.05457	5.6
189.12927	8.8
197.06013	4.5
205.06503	15.2
205.08572	3.9
215.07101	9.9
219.06561	4.3
231.13899	6.1
233.06044	7.1
233.08119	9.1
243.13651	4.8
261.14908	12.3
279.06479	15.5
279.09140	6.4
279.15955	29.9
287.19949	4.3
300.67044	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1703
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
57.07080	3.7
67.05521	0.7
69.07072	1.2
71.30921	1.1
79.05500	0.8
86.09705	100.0
87.10049	1.8
91.05475	1.4
93.07030	1.7
95.04896	0.7
98.97591	1.7
103.05473	2.1
105.07001	1.0
107.04968	1.1
119.08630	0.8
120.08103	47.2
121.02882	1.3
121.06515	1.2
121.08459	1.4
125.52042	0.9
131.08586	1.0
133.10065	0.7
149.02336	25.7
149.06055	0.8
165.07111	1.0
166.08655	11.2
189.67085	0.7
195.08092	1.4
205.06522	1.0
211.70001	0.7
219.08083	1.9
223.07552	1.2
229.13429	0.9
231.10139	0.9
233.16646	0.9
247.07596	1.0
251.07069	2.2
254.47112	0.8
261.11343	1.1
279.06488	5.8
279.09482	1.4
279.12433	1.6
279.17142	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01861	3.9
55.05504	2.4
57.03436	7.1
57.07076	9.0
59.04987	1.0
61.02927	9.1
62.80621	0.9
67.05502	2.7
69.03432	18.7
69.07059	1.8
69.32985	1.7
69.33391	4.4
71.01324	0.9
71.04996	6.5
73.02916	4.8
75.04489	1.9
79.05484	2.1
81.03426	6.9
81.07045	2.9
83.04995	2.1
85.02905	100.0
86.03239	1.5
87.04465	2.7
91.03958	5.0
91.05477	2.5
93.07034	3.0
95.04949	2.5
95.08607	2.3
97.02896	19.8
97.06512	1.3
99.04463	3.3
105.03445	0.9
105.07028	3.1
107.08583	2.4
109.02878	7.1
109.06544	1.1
109.10155	1.8
111.04423	1.5
115.03916	4.1
119.04924	1.0
119.08585	2.4
121.02869	1.7
121.06482	1.4
121.10119	2.3
123.04375	0.9
123.08104	1.1
127.03928	16.5
129.05428	2.0
131.08543	1.9
133.06580	0.9
133.10138	1.7
135.08066	0.9
135.11705	1.1
143.85829	0.8
145.04955	19.3
145.10173	1.2
147.04408	1.6
147.06471	2.0
147.07970	1.4
147.11732	1.1
149.02350	28.7
149.09532	0.8
150.02557	1.1
151.11189	1.2
152.02698	0.9
153.01802	2.5
159.11731	1.8
161.13272	1.2
161.20058	0.8
163.03885	2.4
163.06001	3.3
163.07239	0.8
163.23227	0.8
165.01874	2.6
167.03455	1.1
167.73267	0.8
171.11688	0.9
175.11191	1.0
177.01883	1.1
177.09161	0.9
177.12665	1.2
179.21486	0.8
183.02930	1.0
189.12766	1.0
191.03392	2.8
205.04935	1.2
215.14291	1.1
217.07570	0.9
219.02812	6.4
219.07976	0.9
243.08389	1.0
261.03958	3.4
261.14859	1.8
279.04929	2.0
279.09726	2.6
279.15988	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.9
57.07062	1.0
57.16067	0.4
58.91085	0.3
63.44786	0.3
67.05492	0.8
68.72015	0.3
69.07067	1.1
69.17321	1.1
69.17740	1.9
79.05481	0.4
81.07043	1.3
83.08604	0.9
93.07017	0.7
95.08611	0.9
97.10147	0.6
105.07004	0.5
107.08611	0.7
109.10151	0.7
119.08551	0.6
121.10127	0.5
149.02345	5.7
150.59250	0.4
167.60706	0.4
199.16304	0.4
260.99484	0.3
279.19302	100.0
280.19608	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	Hedaol B
Peak:m/z	Relative Intensity
53.03944	2.7
55.01870	1.9
55.05509	14.0
57.03430	2.7
57.07077	4.3
59.04979	0.9
61.00552	0.7
65.03932	3.1
65.20884	0.7
67.05503	86.0
68.05830	0.6
69.03400	1.0
69.07063	19.5
69.08447	4.0
69.08852	1.6
70.35030	1.0
71.04994	3.8
77.86778	0.9
77.87212	0.6
79.05492	21.4
80.84029	0.8
81.07053	100.0
82.07380	1.3
83.04984	4.0
83.05402	0.7
83.08620	9.4
85.06532	3.7
91.05474	9.9
93.07036	23.2
95.04955	1.6
95.08604	77.5
96.08901	1.1
97.06530	5.1
97.10164	3.7
98.22623	1.3
99.04454	2.1
99.08083	1.7
105.07032	10.7
107.08598	17.2
109.06512	6.3
109.10153	35.0
111.08082	3.2
111.11722	1.0
113.09614	1.3
117.07011	3.2
118.86931	0.7
119.08582	8.5
121.06457	0.8
121.10140	13.7
123.08067	2.8
123.11708	16.7
125.09605	1.4
125.25978	0.7
129.07086	0.7
131.08585	5.1
133.10138	6.7
135.08034	1.5
135.11690	10.3
137.09613	1.7
137.13243	8.4
139.11172	1.6
141.09100	0.9
141.23393	0.7
143.63760	0.7
145.10141	4.4
147.08078	0.8
147.11678	7.2
149.02345	11.8
149.09633	2.9
149.13231	5.2
151.11145	3.5
151.14818	1.7
153.12706	1.5
157.10048	1.1
159.11716	5.0
161.13271	5.3
163.11188	2.3
163.14804	3.1
165.06964	0.9
165.12752	1.8
167.10855	0.7
173.11812	1.1
173.13196	5.3
175.14803	1.5
177.12679	1.0
177.16353	0.9
179.10594	1.0
181.12181	1.4
187.14839	2.6
191.14326	1.5
195.13753	1.6
201.16371	2.5
205.15874	1.6
209.15372	3.1
215.18040	1.7
218.10855	0.9
223.16977	2.6
225.16379	1.1
233.22710	0.7
243.17462	1.5
243.21143	4.6
251.10649	1.0
261.18521	3.4
261.22098	13.4
279.06461	0.8
279.10022	2.0
279.13608	2.4
279.19751	2.0
279.23169	39.1
280.23529	1.7
292.98209	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.3
53.03944	1.3
56.01282	0.1
63.75422	0.2
67.05519	0.2
69.01522	1.7
71.40835	0.2
79.05494	8.9
91.05466	0.2
95.04993	1.1
95.08580	0.3
103.05465	5.7
105.07031	100.0
106.07368	2.3
107.08611	0.2
113.39691	0.2
118.06564	1.2
132.08122	0.4
146.09586	0.3
149.02493	0.2
167.10835	0.2
176.14348	5.9
177.14680	0.3
193.98692	0.2
236.14363	0.4
250.15840	0.3
280.20590	78.0
281.17670	0.3
281.20871	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2272
Annotation	Micropine
Peak:m/z	Relative Intensity
55.05494	1.1
58.79520	0.5
60.04521	3.2
65.40911	0.5
67.05508	1.7
69.07072	1.1
71.04998	3.2
73.92019	0.6
79.05485	1.4
81.07061	3.1
91.05476	1.9
93.07043	2.7
94.06573	0.7
95.08615	4.8
96.08089	0.7
105.07046	5.6
107.08599	4.7
108.08125	5.5
109.10150	2.0
117.07017	1.1
119.08588	7.2
121.10167	1.7
122.09696	2.1
123.11707	0.8
125.09610	0.8
127.11151	0.7
131.08575	1.8
133.10114	3.7
135.11711	1.7
136.11201	1.1
144.09343	0.7
145.10139	4.4
147.11694	6.6
150.12828	0.7
157.10106	0.9
159.10410	1.0
159.11699	12.4
161.12021	1.4
161.13260	1.8
162.12801	1.0
163.14839	1.2
164.14391	1.0
171.11644	0.6
173.13239	3.1
176.14371	2.3
177.16418	2.2
187.14888	1.0
203.17958	15.0
205.15923	1.4
211.70610	0.6
221.18985	1.8
227.17973	1.3
237.09026	1.1
244.20702	2.7
262.21658	17.1
263.21976	1.0
265.08661	1.7
280.10455	3.1
280.18353	9.0
280.22717	100.0
281.08212	1.3
281.11664	1.4
281.23056	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66302	1.7
55.05506	4.7
57.07073	2.9
58.06600	2.0
60.04531	22.3
67.05515	9.6
69.07067	7.6
70.06588	6.1
70.39623	1.9
71.04987	2.0
71.31303	1.8
78.61314	1.6
79.05488	5.7
81.07055	18.2
85.67442	1.7
91.05478	8.0
93.07050	11.0
95.08613	28.7
105.07024	29.3
107.08595	12.9
109.10162	18.6
112.07645	3.3
119.08585	34.6
120.08872	2.1
121.10194	9.6
123.11690	4.7
131.08597	2.8
133.10146	19.7
135.11711	3.9
145.10117	6.1
147.11693	38.1
149.02315	3.3
159.11687	4.3
161.13268	7.2
163.14868	3.8
173.13199	2.1
173.76648	1.7
175.14807	3.6
203.17957	70.8
204.18338	3.2
208.86906	1.8
220.20638	4.7
221.18976	2.5
262.21643	20.9
269.92804	2.0
280.09842	4.9
280.18246	4.5
280.22723	100.0
281.23038	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0807
Annotation	Neodunol
Peak:m/z	Relative Intensity
55.05497	0.1
60.42649	0.1
65.29784	0.1
67.05500	0.2
68.99748	0.1
79.05475	0.3
81.07050	0.2
88.83896	0.2
91.05458	0.3
93.58250	0.1
98.23000	1.1
104.06260	0.2
107.35983	0.1
107.53281	0.1
115.05431	1.3
116.06280	0.1
117.07045	0.2
128.06239	1.0
129.07039	1.5
130.07788	0.4
131.04926	0.2
139.05408	2.7
140.06201	0.4
141.06975	1.3
142.07755	0.3
143.04924	2.9
145.06473	0.2
146.07288	0.2
147.04346	0.2
152.04955	0.2
152.06198	5.4
153.06995	6.1
154.07777	5.5
155.04904	0.5
155.08609	0.7
156.05699	0.7
157.06453	0.5
158.07256	1.3
163.05435	0.4
164.06239	0.6
165.06996	16.8
166.07794	4.4
167.04926	2.5
167.08582	3.0
167.28128	0.2
168.05713	0.9
169.06479	1.6
169.10107	0.5
170.07230	0.2
171.04427	3.8
171.08035	0.3
174.06647	0.1
176.06186	0.3
177.06984	0.5
178.07785	1.6
179.04893	0.2
179.08543	2.6
180.05696	1.6
181.06487	8.0
182.07271	48.4
182.20735	0.1
183.07628	1.9
183.11638	0.2
184.05185	1.3
185.05962	1.3
185.09630	0.3
186.06779	0.9
189.05476	0.5
192.05705	3.4
193.06380	1.8
194.07298	1.5
195.04387	2.1
195.08066	3.8
195.11707	0.3
196.05048	0.3
196.08839	1.9
197.05908	0.6
197.09618	12.7
198.06703	0.5
198.09966	0.4
199.03906	6.5
199.07521	0.5
200.02371	0.1
200.04269	0.3
205.06491	0.5
206.07156	0.2
207.08070	0.9
208.05197	3.6
209.05974	4.1
209.09380	0.3
210.06752	35.3
211.07152	1.6
212.04681	0.4
213.05411	0.5
213.09052	0.2
214.06239	2.5
215.03389	0.3
217.04901	0.3
220.03241	0.3
220.05197	2.8
221.05956	1.9
222.06789	3.3
223.03906	5.6
223.07420	2.5
224.04675	0.7
224.08286	0.8
225.09094	51.4
226.06236	0.6
226.09439	2.1
227.07176	0.2
235.07547	4.2
236.04677	1.2
236.08005	0.2
237.05467	4.8
238.06239	29.7
239.06763	2.0
241.04837	0.3
242.05719	0.2
243.10129	0.2
250.06250	0.4
251.03304	0.4
251.07022	4.4
252.04198	0.5
252.07771	3.9
253.08586	42.8
254.08922	1.7
256.07275	1.2
263.07907	0.3
265.04977	0.7
266.05710	10.4
267.06458	2.9
269.08054	1.0
279.06451	0.2
280.07202	0.5
281.08066	100.0
282.05298	0.2
282.08392	4.8
284.06772	0.3
299.05643	0.2
299.09079	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62762	0.4
53.13528	0.3
55.01882	0.5
55.05509	0.4
56.05035	1.3
57.03424	0.4
57.07081	0.5
58.54462	0.4
69.03422	0.6
69.07087	0.6
69.38047	2.2
73.02912	0.3
74.06086	2.6
81.04536	0.8
81.07067	0.5
82.05322	0.7
84.04478	0.3
85.02899	0.6
88.03966	0.6
91.05439	0.9
94.04033	0.5
97.02889	2.0
98.97608	0.7
102.05545	1.1
103.05459	0.6
105.07003	1.3
107.04962	0.6
107.60651	0.3
115.05455	0.3
116.98624	0.4
117.06992	0.8
119.03543	5.7
119.08611	0.5
120.06579	6.4
120.08064	3.5
121.06484	0.6
122.07126	0.9
123.04420	1.1
123.07938	5.8
128.06218	0.9
129.06984	1.1
131.04990	0.7
131.08539	0.5
133.06566	0.4
136.06181	100.0
137.04576	3.0
137.05962	1.8
143.08556	0.8
145.06479	0.9
147.04376	0.9
149.05948	0.9
150.07742	8.5
157.06485	0.8
161.05939	1.3
162.04106	59.2
163.04350	0.8
163.07433	0.3
165.05478	1.1
165.09105	0.4
166.08699	0.9
167.07059	0.7
171.07983	0.8
173.05988	0.7
173.10789	0.4
175.07521	1.3
175.08807	0.4
177.07834	2.7
181.06425	0.6
184.09935	0.3
187.07582	0.4
189.05437	0.8
189.09135	0.5
191.07047	1.2
199.07495	0.7
200.06970	0.4
203.06967	0.8
206.11766	12.0
207.06552	0.5
217.08606	0.5
221.08104	0.4
227.06949	0.8
227.11763	1.0
233.08017	0.8
233.33278	0.4
235.10791	0.6
245.08060	2.1
245.12918	1.6
251.09123	0.5
263.09000	1.6
263.13882	0.6
266.99939	0.8
281.10175	9.0
281.14749	2.0
282.12000	0.8
283.03110	0.5
299.06186	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48299	0.2
54.03464	1.9
55.04251	2.6
55.05505	0.6
57.03430	0.3
58.79910	0.2
59.05006	0.7
61.37648	0.2
62.30575	0.2
65.54729	0.2
67.05489	0.3
69.03446	0.5
70.02949	0.6
71.28401	0.3
73.04752	0.2
73.06548	0.6
80.05038	0.2
80.40301	0.2
81.04537	12.8
81.07069	0.3
82.05321	7.9
82.05807	0.4
85.02904	1.6
95.08654	0.2
95.46070	0.2
97.02894	0.5
98.97591	0.5
101.06006	1.2
108.05607	0.9
109.06524	0.5
110.07162	0.5
117.44580	0.2
118.06601	0.2
119.04872	0.2
119.06985	0.3
121.07662	0.2
122.07148	20.6
123.07930	100.0
124.07522	0.3
124.08287	1.7
127.03922	0.6
132.06828	0.2
135.08072	0.3
136.06175	7.6
145.04964	0.3
147.08049	0.3
151.08424	1.7
157.53035	0.2
158.36403	0.2
160.04272	1.5
162.04132	1.5
165.07722	6.7
170.75456	0.3
189.09145	0.4
206.11778	0.3
206.14581	0.2
207.10158	0.7
232.12036	0.4
235.10507	2.7
251.09656	0.5
263.10025	0.5
263.13779	0.6
276.13513	0.3
276.84973	0.3
281.10693	74.5
282.10989	2.8
283.03082	0.4
299.06244	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1383
Annotation	(-)-Mniopetal F
Peak:m/z	Relative Intensity
53.03969	2.9
55.05503	3.8
61.59085	2.4
64.53276	2.8
66.46049	2.4
67.05516	3.7
69.03423	8.9
69.08465	21.0
77.60236	2.6
79.05480	5.1
79.42096	2.2
81.07050	2.9
83.04979	6.6
91.05489	8.6
93.03334	2.7
93.07044	6.4
95.04976	4.5
95.08617	2.9
97.06525	11.4
99.04455	2.4
105.07034	12.9
107.08596	11.6
109.06534	7.7
111.04474	17.5
111.08064	3.1
117.07047	6.7
119.08585	12.9
121.06523	11.1
123.08061	7.7
129.07056	6.1
131.08569	10.0
133.06494	4.9
133.10139	3.1
135.08047	100.0
136.08405	5.6
137.06004	5.4
139.07515	4.0
141.07033	3.2
142.07788	4.1
142.15575	2.5
143.08554	4.0
143.39775	2.4
144.09358	5.8
145.06520	8.9
145.10115	8.3
147.08064	8.1
147.11729	3.3
149.05997	4.1
149.09688	2.3
151.07558	6.0
156.09366	8.4
157.10132	5.3
158.07274	3.9
159.08058	12.6
159.11722	18.1
161.09645	8.6
163.07561	4.4
165.09149	3.6
167.66977	2.6
169.10294	3.3
171.08032	3.9
171.11707	7.5
172.08875	14.9
173.09636	51.3
175.07599	4.5
175.11217	3.2
185.09679	3.2
187.11205	45.7
189.12694	6.1
197.09659	3.8
199.11162	16.2
203.10690	13.3
212.08287	3.4
215.10684	42.1
217.12236	10.0
227.10641	8.8
233.11719	26.2
245.11678	20.3
247.95648	2.6
249.09207	3.5
263.12851	13.8
281.11557	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1382
Annotation	(-)-Mniopetal F
Peak:m/z	Relative Intensity
50.28203	3.0
55.05502	10.2
65.03935	11.9
67.05492	13.2
68.59929	2.8
68.99780	8.7
69.03433	20.2
70.30901	2.8
71.04997	3.4
71.29765	3.1
71.93909	2.9
79.05491	13.9
79.56079	2.6
81.07047	11.1
83.04981	12.7
85.02911	4.5
85.97733	2.8
87.04465	11.6
91.05469	23.4
93.03407	10.5
93.07041	19.1
95.04964	20.6
95.08603	9.6
97.02895	2.9
97.06536	11.2
99.04459	3.5
105.07026	25.7
107.04947	4.7
107.08590	16.1
109.06523	10.3
111.04403	14.2
115.05472	5.9
117.07023	8.8
118.98012	2.8
119.04967	3.9
119.08592	22.8
121.02878	11.6
121.06497	30.0
121.10085	4.6
123.08066	20.4
125.05880	3.2
128.06192	5.6
129.06984	6.4
130.07756	3.2
131.08609	14.2
133.06488	8.0
133.10129	9.1
135.04330	3.4
135.08047	85.3
137.05922	4.1
139.03905	18.6
139.07545	19.9
142.07817	5.5
143.08543	10.8
144.09335	7.3
145.06491	10.8
145.10141	10.4
147.08058	23.7
147.11703	4.9
149.05963	6.0
149.09636	4.0
151.07535	14.6
153.06976	4.0
154.07799	4.1
155.08556	6.9
156.09312	16.2
157.10097	4.2
158.07285	11.6
159.08028	22.2
159.11661	24.4
160.08794	5.1
161.05984	8.1
161.09589	21.1
163.07549	13.6
163.11205	3.6
167.07040	6.2
169.10178	4.0
171.11697	12.2
172.08783	29.7
173.09622	100.0
174.10216	4.9
175.07509	7.7
175.11142	8.7
179.07144	3.0
181.08583	7.2
182.07272	3.0
183.32178	3.0
185.09659	6.3
187.11163	41.2
189.08981	4.4
189.12749	10.8
191.10564	4.9
197.09644	5.3
199.11180	15.3
203.10687	10.5
205.08583	4.9
209.08055	6.5
214.70561	2.9
215.10674	45.3
217.12207	9.4
221.11763	4.1
226.16740	3.4
227.10715	6.4
233.11707	99.1
234.12010	5.6
235.13338	4.4
237.05368	4.3
245.11774	16.7
253.12233	4.7
263.12750	34.2
264.13092	3.2
281.04398	4.1
281.13855	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1383
Annotation	Epilaccishellolic acid
Peak:m/z	Relative Intensity
55.01861	9.3
55.05511	36.5
57.03431	10.9
57.07084	7.1
59.04995	20.7
61.02917	5.9
67.05503	17.1
69.03429	30.1
70.64088	10.8
70.64404	7.3
71.04992	9.9
77.03961	5.3
79.05482	36.5
79.31035	5.6
81.03420	10.6
81.04548	7.4
81.07052	12.7
83.04989	67.8
83.08614	25.4
85.02911	43.7
85.06547	9.1
91.05466	43.4
93.07034	28.2
95.04966	19.1
95.08611	32.3
97.02876	14.3
97.06553	7.5
99.04431	7.2
100.88863	6.5
101.09648	45.6
103.05437	9.2
105.07037	85.2
107.08592	58.0
109.02877	9.3
109.06506	25.7
109.07198	7.0
109.10165	13.3
111.04470	8.2
115.05431	11.7
117.07052	8.1
118.06569	8.6
119.04971	8.7
119.07327	15.7
119.08552	44.4
120.05271	12.1
120.08082	13.1
121.06488	13.8
121.10167	10.0
122.07282	7.6
123.08037	37.4
125.09631	10.1
127.03893	23.8
127.07550	10.7
129.06973	11.5
131.08560	17.8
133.05696	7.3
133.06502	72.0
133.10124	35.2
135.08020	31.6
137.09596	8.3
137.99840	7.6
143.08551	15.1
145.05025	9.9
145.06458	9.5
145.10127	9.6
147.04390	24.6
147.08034	18.9
147.09172	47.7
148.04771	31.3
149.09593	50.7
150.07700	13.1
151.07457	50.5
151.11142	6.7
153.09143	7.6
155.07123	8.8
156.09300	12.0
157.10219	7.4
158.10884	6.4
159.08037	9.9
161.05963	81.2
161.09595	19.9
161.13268	12.1
171.11700	22.7
173.13260	26.1
175.07610	12.3
175.11151	17.6
179.07040	70.6
179.08463	9.2
184.08795	8.4
186.10422	11.8
187.11227	10.6
189.12701	21.1
191.14371	9.0
197.06004	10.7
199.11165	20.0
201.12810	10.6
203.10684	19.1
206.13094	14.4
207.06453	7.8
207.13802	12.9
217.12231	59.7
219.13837	10.3
227.10710	21.1
235.07523	10.5
235.13359	21.1
245.11710	100.0
249.15427	7.3
263.12833	38.6
281.04642	32.5
281.10107	21.3
281.14374	49.8
281.17892	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.4
53.03947	9.3
55.01861	4.8
55.05511	31.7
55.28774	1.1
57.03437	25.0
65.03941	5.0
67.05505	85.9
68.05829	1.5
69.03421	2.1
69.07069	17.4
71.04996	3.9
72.27165	1.2
73.06554	1.7
79.05494	100.0
81.03416	15.2
81.07057	65.6
82.42306	1.2
83.04980	33.3
83.08620	9.1
85.06548	2.9
91.05481	61.9
92.05798	2.0
93.07043	69.0
95.04968	26.6
95.08607	41.1
97.02899	2.6
97.06525	6.5
97.10178	5.6
98.23428	2.8
103.05470	2.8
105.04503	2.6
105.07030	50.3
106.07385	1.4
107.04975	10.2
107.08596	22.9
109.06525	7.3
109.10137	7.6
111.08096	2.2
115.32612	1.6
117.07005	10.9
119.08578	33.8
121.06535	4.9
121.10140	4.9
123.08063	9.1
127.07542	2.2
128.06226	3.1
129.07019	18.9
131.08566	3.8
133.10121	15.2
135.08092	1.5
135.11655	2.6
139.05644	1.3
141.06932	1.6
143.08580	9.5
145.10120	11.4
147.08051	3.3
147.11681	38.0
148.04559	1.2
148.11948	1.3
152.06250	2.3
157.10126	1.6
159.11694	2.9
161.06029	1.4
161.09601	3.6
161.13255	14.7
165.07071	1.9
167.04874	1.3
167.08633	3.4
169.10164	1.8
170.01976	1.3
171.11678	30.3
171.66788	1.5
178.07784	1.6
179.08636	1.9
182.07355	4.0
185.09630	1.4
189.12741	9.7
193.10150	3.4
207.11900	2.3
207.13815	9.4
210.06706	3.1
221.09358	1.8
221.13162	1.6
225.09100	3.7
238.06183	2.9
238.09790	2.3
251.07088	2.1
253.08601	2.7
265.10135	4.3
266.05930	3.3
266.10873	4.7
267.11435	1.5
281.07935	18.3
281.13162	10.4
281.17606	26.5
281.22684	5.0
282.08533	2.8
282.13565	2.6
282.18005	3.2
299.06244	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02387	1.2
53.03944	7.0
53.20333	1.0
53.75746	1.0
55.01867	5.0
55.05513	32.0
57.03439	25.1
57.03714	2.4
57.07071	2.6
60.88108	1.2
63.40049	1.2
65.03931	3.1
67.05503	80.9
69.03405	1.3
69.07063	16.8
69.39220	2.3
69.39621	4.5
71.04988	3.4
73.06548	2.9
77.03902	1.2
79.05492	100.0
80.05821	1.4
81.03416	14.6
81.07057	62.9
83.04980	34.5
83.05462	2.2
83.08626	8.8
85.06548	3.7
87.13093	1.1
91.05480	67.9
93.07043	68.8
95.04362	1.6
95.04968	26.6
95.08601	38.0
97.06529	7.1
97.10174	5.2
103.05482	1.5
105.04540	2.9
105.07036	43.5
105.07750	2.2
106.07393	1.4
107.04975	8.5
107.08591	24.5
109.06521	6.7
109.10172	5.7
111.08110	1.1
113.09626	1.3
115.05489	1.5
117.07005	9.5
119.08575	29.1
121.06505	3.3
121.10150	5.0
123.08060	9.2
123.11712	2.2
127.07548	2.3
128.06235	2.7
129.06998	15.5
131.08571	4.3
133.06535	2.0
133.10136	14.9
135.11737	2.5
137.09814	1.1
143.08562	10.6
145.10117	8.9
147.08064	4.5
147.11685	36.2
148.12083	1.2
161.09651	3.8
161.13254	14.3
171.11685	26.5
171.13084	2.2
179.14345	1.5
189.12749	11.6
207.13826	11.3
246.95576	1.3
266.80765	1.1
281.14047	2.1
281.17441	31.5
281.22244	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
50.95824	1.6
53.03953	8.8
55.01873	4.6
55.05271	2.8
55.05515	34.2
57.03442	29.0
58.23452	1.6
63.55150	1.5
63.86254	1.6
65.03940	4.6
67.05508	87.7
69.03405	1.5
69.07072	17.2
71.05008	4.9
73.06528	2.9
77.03914	2.0
79.05494	100.0
80.05862	2.7
81.03426	13.5
81.07059	64.5
83.04979	36.8
83.08619	9.6
85.06570	3.4
85.15276	1.4
91.05480	70.5
91.63989	1.7
93.07042	70.4
94.63470	1.8
95.04971	24.1
95.08611	44.2
97.06538	6.9
97.10169	5.7
103.05499	3.0
105.04526	2.2
105.07033	51.8
107.04955	5.1
107.08597	23.0
109.06526	7.1
109.10150	9.8
111.08125	1.9
115.05486	1.9
117.07031	6.8
119.08587	27.2
121.06508	2.7
121.10164	6.5
123.08096	8.7
127.07550	2.3
128.06227	3.9
129.07010	16.4
131.08577	2.5
133.10109	12.8
135.08092	1.8
135.11710	3.0
139.24815	1.5
143.08568	9.8
145.10110	10.5
147.08066	3.1
147.11685	35.7
156.09401	3.6
159.11700	1.8
161.09613	4.8
161.13246	14.1
171.11696	24.7
189.12701	9.8
193.10046	2.7
207.13770	12.5
221.13309	3.2
277.01443	1.6
281.08157	4.6
281.12219	2.5
281.15350	2.6
281.17554	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.1
53.03951	9.5
55.01881	5.3
55.05513	33.7
57.03159	1.7
57.03438	27.4
57.07067	2.7
65.03934	4.0
67.05506	85.1
69.07072	15.2
71.04992	4.2
71.08636	1.6
71.31023	1.8
73.06547	2.6
79.05493	100.0
80.05828	2.3
81.03426	15.4
81.07058	67.1
82.07391	1.2
83.04487	2.1
83.04981	36.3
83.08631	10.3
85.02908	1.7
85.06527	3.4
91.05482	72.8
92.05829	2.2
93.07046	73.1
94.07387	1.2
95.04971	27.3
95.08605	40.1
97.02894	1.7
97.06502	6.1
97.10154	5.4
99.08076	1.4
103.05457	1.4
105.04510	3.9
105.07031	55.5
107.04966	10.0
107.08598	21.8
108.08922	1.3
109.06518	9.1
109.10167	10.0
111.08112	1.8
113.09621	1.2
115.05507	1.6
117.07005	9.0
119.08584	31.9
121.06531	3.2
121.10148	5.9
123.08067	9.8
123.11696	2.5
127.07511	2.2
128.06210	2.5
128.57962	1.1
129.07019	19.2
131.08554	3.3
133.06476	1.5
133.10130	13.3
135.11673	4.1
141.06993	1.4
143.08568	12.2
145.10130	10.9
147.08060	4.4
147.11684	39.3
155.08574	1.7
155.88156	1.1
156.09354	2.1
157.10147	1.8
159.11711	2.2
161.09634	5.2
161.13289	14.6
163.11130	1.1
169.10191	2.1
171.11682	26.9
182.07266	1.3
189.12724	11.5
193.10123	1.7
207.11868	2.1
207.13776	11.0
221.13293	1.3
238.06219	1.4
281.07898	5.7
281.17413	31.1
281.21957	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2475
Annotation	Stearolic acid
Peak:m/z	Relative Intensity
53.03938	3.0
55.01882	4.9
55.05511	31.2
57.03430	3.6
57.07070	8.0
58.12469	1.1
59.05000	20.1
59.78172	0.9
67.05505	40.2
69.03424	4.8
69.07066	40.0
69.07458	1.3
69.24912	6.7
69.25320	1.8
70.92987	1.2
71.04991	7.5
71.08626	1.6
79.05492	19.5
80.05832	1.0
81.07056	100.0
82.07389	2.0
83.04987	4.2
83.08616	16.1
85.06544	24.5
87.04476	10.4
91.05475	8.5
93.07042	31.3
95.04983	2.8
95.08604	91.6
96.08949	2.1
97.06516	8.1
97.10167	16.9
97.15440	1.0
98.23333	1.4
99.08091	7.0
105.07024	15.0
107.08589	25.7
108.08917	1.2
109.06510	3.7
109.10156	47.2
109.10907	2.3
110.10557	1.2
111.04471	1.2
111.08086	4.1
111.11742	3.9
113.09657	3.1
115.07590	9.3
116.92750	1.0
117.07008	1.3
117.53894	1.0
119.08575	10.9
121.06562	1.4
121.10148	26.2
123.08086	1.6
123.11705	33.8
124.12001	1.3
125.05999	1.2
125.09615	6.4
125.13277	1.3
127.07569	1.5
131.08595	2.9
133.10150	8.0
135.08046	1.6
135.11687	18.7
137.09625	2.4
137.13242	11.8
139.11182	4.4
142.07835	1.7
143.08556	2.4
143.10699	2.0
145.10126	2.7
147.11668	10.9
149.09662	1.3
149.13257	15.4
151.11156	2.3
151.14784	1.1
153.12715	3.7
155.08542	2.3
157.10106	2.6
159.11682	1.0
161.09659	1.4
161.13271	3.9
163.14824	8.5
165.16368	2.2
175.14818	4.3
177.09113	1.7
177.16425	2.9
179.17906	2.5
182.07341	1.3
185.13245	1.2
189.16431	5.5
197.13167	1.4
200.02357	1.0
202.68106	1.0
203.17960	2.8
205.19617	4.5
207.11772	1.2
207.17496	1.6
209.13365	1.4
221.13217	1.5
223.14745	1.6
225.09132	2.2
225.16331	1.6
238.06190	2.9
245.15503	1.2
245.22667	6.6
253.08600	2.3
263.16306	2.3
263.23666	10.6
266.05862	1.5
281.07889	7.4
281.17413	2.3
281.22607	3.0
281.24902	25.6
282.25153	2.1
299.39676	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	11.7
59.38925	1.4
59.79316	1.4
62.92998	1.8
71.29631	1.7
71.95268	4.0
81.07036	1.7
98.97588	100.0
108.28291	1.5
116.97800	3.5
116.98631	72.2
134.99672	44.3
136.70198	1.5
153.00739	5.7
158.01299	1.7
177.01004	4.6
179.00839	1.6
205.00410	2.8
219.02046	9.1
220.02173	4.3
235.00026	3.0
236.98656	3.3
240.96558	2.2
240.98849	6.9
253.01161	3.8
258.99786	57.3
259.99835	3.8
265.12619	1.7
277.00830	93.4
278.01035	3.5
282.01163	1.9
282.22247	3.9
282.99905	12.1
299.97916	2.1
300.06314	2.0
301.01111	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11925	2.3
53.25715	2.3
55.01859	3.6
57.03420	6.3
61.02927	10.4
63.11188	2.2
65.03293	2.3
68.98956	9.7
68.99373	15.4
69.03429	21.8
70.86446	2.4
71.04985	2.7
73.02908	2.9
75.59187	2.5
78.90919	2.6
81.03431	4.9
85.02907	100.0
85.06537	18.4
91.03951	7.7
97.02888	23.0
98.97551	5.0
99.04453	2.9
99.23660	2.4
109.02866	7.1
116.98579	3.6
127.03914	21.8
145.04962	54.2
150.07799	3.4
163.06007	16.4
206.11682	5.5
210.11751	2.6
229.10797	3.8
252.12495	2.7
258.99902	3.8
277.01074	2.8
280.05695	2.6
282.13388	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1328
Annotation	Obovatol
Peak:m/z	Relative Intensity
51.02377	2.9
53.03947	6.8
55.01866	19.0
60.90548	1.9
65.03951	1.9
65.23128	2.2
67.05493	2.8
69.07062	2.6
75.97934	1.9
79.05498	11.3
81.07058	4.6
87.08312	2.6
89.06041	2.8
91.05478	34.6
93.07050	27.2
95.04971	9.5
95.08636	4.4
103.05469	68.2
104.06255	9.4
104.28729	2.2
105.04526	2.5
105.07042	15.4
105.15652	2.2
107.04956	28.1
115.05424	10.7
117.07025	44.5
118.07832	5.1
119.04941	7.6
119.08592	2.6
121.06506	100.0
122.03618	4.3
123.04401	3.9
131.04913	22.2
132.05727	9.5
133.06508	13.1
134.07245	3.6
135.04419	8.7
135.08067	3.3
137.05989	11.6
139.03920	2.1
145.06525	2.5
145.10129	3.3
147.04393	5.2
147.08061	5.3
149.05986	65.8
150.06754	31.7
151.85887	2.2
160.45036	2.3
167.08638	3.4
177.09087	3.9
181.06564	2.6
208.08963	2.8
213.05472	44.7
215.06871	2.4
223.07349	2.8
224.08337	4.0
227.07045	2.3
235.07637	3.0
236.08327	5.1
237.09166	4.6
237.12769	2.8
241.08600	8.6
242.09378	18.0
255.10208	5.8
265.19653	2.2
282.27847	4.1
283.10306	3.9
283.13257	26.8
283.20728	4.9
283.23795	4.2
283.26395	3.9
284.13593	2.8
284.29541	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.4
55.05517	4.1
57.03426	2.2
59.04964	0.5
67.05507	4.0
69.03418	0.8
69.07072	3.3
69.81683	2.2
71.04992	1.2
79.05496	5.0
81.03405	1.6
81.07062	6.1
83.01322	1.0
83.04964	2.4
83.08611	2.3
85.06548	1.3
91.05489	3.1
93.07050	6.4
94.85278	0.5
95.04987	1.1
95.08611	5.7
97.02894	0.9
97.06532	1.1
97.10148	0.6
105.07049	3.3
107.04963	1.6
107.08588	5.3
109.06510	0.8
109.10155	2.0
111.04449	1.2
117.07005	1.3
119.08547	2.2
121.10151	2.1
123.08027	1.1
123.11698	1.0
126.75613	0.6
130.18634	0.6
131.04857	0.8
131.08585	1.7
133.10127	1.2
135.08058	0.7
135.11681	5.0
145.10114	3.5
147.08009	0.7
147.11670	0.9
153.12743	1.5
157.10143	0.5
159.11719	0.9
163.11176	6.8
167.08578	0.6
169.10172	1.0
171.11803	0.6
173.09711	0.7
179.08653	0.6
181.10112	0.6
181.12231	1.2
191.10550	1.3
195.08099	1.3
197.13199	0.6
209.11722	1.5
223.07625	1.2
223.11247	0.5
226.22607	0.5
227.12714	5.3
233.11464	4.9
251.06972	0.7
265.14185	1.5
269.12332	0.9
283.09839	3.6
283.15176	100.0
283.20416	3.8
284.15430	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.3
54.80477	1.9
55.01874	57.4
55.05512	85.7
57.03439	77.4
57.07079	4.3
59.05001	13.0
65.03928	4.3
67.05508	47.0
69.03411	6.5
69.07066	15.3
71.01357	3.8
71.04998	14.6
74.09982	2.0
74.26714	1.9
79.05493	77.5
81.02982	2.8
81.03424	36.4
81.07059	66.7
82.07398	3.1
82.22687	2.1
83.00893	3.5
83.01347	47.7
83.04491	3.0
83.04984	54.6
83.08614	43.0
85.02908	17.1
85.06532	3.7
91.05483	52.1
93.07043	100.0
95.04972	29.1
95.08608	28.6
97.02904	10.8
97.06542	21.3
97.10153	5.0
99.04451	11.0
100.39882	2.0
103.97438	2.1
105.06367	4.0
105.07029	44.7
107.04958	34.1
107.08591	47.8
109.06519	23.7
109.10123	10.3
111.04442	16.0
111.08076	10.3
113.70426	1.9
115.05476	2.4
117.07025	26.7
119.08582	26.6
121.06490	15.9
121.10145	25.2
123.04450	3.4
123.08071	31.3
125.05993	9.3
125.09612	5.2
129.07010	6.3
130.07797	5.9
131.04874	2.9
131.08582	14.4
133.10138	5.1
135.08014	8.0
135.11691	47.9
137.09578	2.8
139.07539	2.9
143.08528	5.3
145.06450	2.9
145.10126	58.3
147.08031	10.2
147.11670	4.7
149.09544	2.7
153.12729	15.4
155.08543	7.7
163.11192	93.4
164.11526	3.9
170.04506	2.2
173.09639	12.8
181.12245	19.3
190.16890	2.2
191.10681	13.9
209.11702	29.2
209.13483	2.8
210.12048	2.0
223.14861	3.8
227.12740	15.6
247.92525	2.3
283.10123	3.7
283.15381	95.0
283.24139	8.9
284.15695	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Merrillianone
Peak:m/z	Relative Intensity
55.01878	4.3
55.05512	1.9
56.05059	0.4
57.03439	1.9
57.07073	2.2
59.04995	1.5
65.03934	0.5
67.05501	6.5
68.05830	0.4
69.03431	20.4
69.07068	100.0
69.58504	0.9
69.58918	1.2
70.07401	1.3
71.01353	2.6
71.04996	0.6
75.77872	0.3
78.05254	0.4
79.05482	2.3
81.07058	24.6
82.07398	0.6
83.04983	2.9
83.08611	1.0
85.02905	7.3
85.06539	0.6
87.04465	1.2
91.05467	2.0
93.07029	2.3
94.11715	0.3
95.04966	1.5
95.08601	5.9
97.02894	15.4
97.03511	0.9
105.07039	1.7
107.08601	2.4
109.06519	3.0
109.10162	5.2
111.04488	0.6
111.08083	0.4
115.03941	7.9
117.07063	0.8
119.08591	1.1
121.10127	1.9
123.08091	1.0
123.11711	32.5
124.12047	0.6
128.06320	0.3
129.07050	0.6
131.08601	1.0
133.10095	2.0
135.11731	1.0
135.17647	0.3
142.07866	0.4
143.08612	0.6
145.10176	1.6
147.08086	0.6
149.09679	0.7
151.11183	48.4
152.11548	1.0
155.08577	0.7
157.10197	1.0
159.08093	0.9
159.11700	0.9
161.09622	0.4
163.11212	1.1
168.86526	0.4
169.10098	0.6
171.11765	0.7
173.09622	0.6
181.10072	0.8
181.12256	0.5
183.11649	0.5
185.13220	0.4
191.10701	0.6
195.11774	0.8
209.11771	1.0
213.12923	0.4
216.28000	0.4
228.07327	0.3
265.14209	0.8
265.19571	1.1
276.31656	0.4
283.06082	0.7
283.10614	0.4
283.15369	4.8
283.20389	3.8
295.05978	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03983	2.5
55.01867	5.0
55.05511	14.0
57.03440	13.3
57.07092	1.7
65.03957	1.5
66.28613	0.6
67.05502	22.3
69.03477	1.8
69.07066	9.6
71.05038	2.6
71.30299	0.8
71.35296	0.6
73.02953	1.3
79.05494	35.0
81.03417	3.6
81.07056	27.6
83.04975	6.2
83.08618	8.7
89.06075	1.3
91.05480	11.8
93.07043	46.1
94.07389	1.2
95.04971	9.6
95.08607	48.5
97.02893	5.6
97.06538	4.9
97.10201	1.5
98.22605	0.6
98.23280	0.6
99.04459	4.5
103.05468	0.9
105.07030	10.6
107.04958	13.9
107.08595	34.6
108.08967	0.9
109.06561	2.6
109.09499	1.2
109.10118	5.0
111.04497	2.8
111.08143	2.2
113.05998	0.8
115.05540	0.8
117.07014	10.3
119.08582	13.3
121.06516	7.2
121.10146	16.9
121.11008	0.9
123.08120	0.9
123.11727	1.4
125.06000	3.4
129.07045	2.6
130.07779	3.6
131.08618	2.8
131.36609	0.6
133.10139	4.6
134.07271	0.6
135.08104	2.6
135.11694	57.1
136.12065	1.4
139.07588	2.3
139.11253	0.7
142.07767	1.0
143.08607	2.7
145.06572	1.1
145.10118	31.7
146.10457	1.4
147.11752	1.6
151.79543	0.7
153.12773	1.6
155.08548	1.3
157.10176	2.2
159.11736	2.7
161.13271	1.3
163.11179	74.3
164.11594	1.9
171.11720	1.9
173.09682	2.1
173.13275	1.9
175.14862	0.9
181.12228	16.2
185.13219	1.8
187.14824	1.0
191.10626	1.6
199.14806	1.7
201.16345	0.9
209.11720	2.7
213.16286	1.5
216.40179	0.7
227.12773	100.0
227.17828	2.6
228.13104	4.6
241.19516	0.9
255.15984	1.3
283.05957	1.6
283.10077	1.0
283.15335	22.1
283.20483	3.6
283.24121	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36055	1.7
53.03933	9.0
55.01873	39.9
55.05513	75.2
56.16152	2.1
57.03439	64.4
57.07063	7.5
59.04994	13.9
65.03939	1.9
67.05503	45.3
69.03414	6.0
69.07056	16.1
71.01347	4.6
71.05008	14.7
74.43739	1.8
75.17619	2.1
77.72508	1.8
79.05495	69.1
81.03421	33.3
81.07060	66.1
83.01341	40.1
83.04986	41.4
83.08619	43.6
85.02905	12.9
85.06531	2.8
89.06027	6.3
91.05476	49.2
93.07040	92.7
94.07364	2.7
95.04973	24.5
95.08604	32.6
97.02885	8.7
97.06536	16.8
97.10168	5.7
99.04448	9.5
105.07025	34.2
107.04959	27.5
107.08593	51.1
107.29774	2.4
109.06522	22.2
109.10153	7.4
111.04428	8.9
111.08080	7.1
111.79726	1.9
117.07017	25.3
119.08580	32.3
121.06496	12.2
121.10137	27.1
123.08073	33.2
123.11761	3.0
125.05966	5.7
125.09655	4.8
128.06168	2.7
129.07011	5.6
130.07745	3.8
131.08578	12.7
133.08585	3.7
133.10114	10.4
135.08063	9.1
135.11691	47.8
137.09587	4.2
139.07532	4.1
143.08522	6.5
145.10126	61.2
145.62453	2.1
147.08061	8.8
147.11673	2.8
149.09615	4.4
149.13190	2.2
151.11172	2.7
151.23289	1.8
153.12747	11.3
155.08525	7.5
159.11766	3.5
161.13309	4.0
163.11180	100.0
164.11519	3.3
165.09038	2.3
170.17067	2.1
171.11755	3.3
173.09579	14.5
173.13234	3.7
180.02098	2.0
181.12248	15.7
185.13208	2.3
187.14833	4.0
191.10667	12.8
199.14973	2.8
209.11725	32.4
209.13518	3.8
227.12759	24.2
227.17844	2.7
283.06006	4.6
283.09134	3.5
283.15347	94.6
283.20517	9.2
283.23911	17.2
283.26996	2.3
284.15591	6.8
284.33170	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1687
Annotation	Vedaprofen
Peak:m/z	Relative Intensity
50.61617	0.3
55.05492	0.8
58.36544	0.3
60.08170	0.5
60.48894	0.4
67.05489	0.7
69.07066	0.5
69.12134	2.9
77.03938	0.4
79.05495	0.9
81.07069	1.7
81.70283	0.3
83.03550	0.3
83.05020	0.7
85.06557	0.4
91.05482	0.9
93.07037	0.9
95.08606	1.4
105.07030	1.0
107.08627	0.4
111.04427	0.8
115.05443	0.5
117.07023	0.7
119.08569	1.0
121.10159	0.3
128.06169	0.8
129.06998	2.7
131.08542	1.1
133.10127	0.5
135.08115	0.4
141.06978	2.0
142.07826	1.9
143.08559	3.4
144.09344	0.5
145.10123	1.8
153.07007	2.0
153.12859	0.3
154.07794	2.6
155.08553	7.0
156.09302	1.1
157.10139	3.3
165.06993	2.9
166.07785	1.3
167.08554	4.1
168.09358	2.8
169.10136	3.7
170.10934	0.4
171.11638	2.6
178.07797	0.7
179.08563	4.6
180.09348	2.1
181.10118	9.5
182.10815	1.0
183.11694	27.3
184.12328	2.4
185.09618	4.7
185.13206	0.7
186.09996	0.4
193.10120	7.5
193.11725	0.5
194.10905	5.3
195.11681	9.1
196.12218	0.5
197.13217	0.6
199.11230	0.8
207.11708	2.6
208.12468	7.8
209.13246	35.0
210.13696	2.1
212.19991	0.4
215.10556	0.3
221.13203	1.0
222.14052	1.3
223.11313	0.9
223.14816	25.7
224.15561	15.5
225.12746	0.4
225.16078	1.1
227.10631	3.2
227.12614	0.5
228.11392	1.2
237.16364	8.1
238.16800	0.5
240.11545	0.5
241.12309	0.7
241.15892	0.9
247.14752	0.5
253.10066	1.1
253.12306	1.4
265.15912	1.2
267.11606	0.5
268.09030	0.3
268.12347	1.1
268.14886	1.9
269.13022	0.7
283.16946	100.0
284.17395	5.6
284.33051	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03120	3.9
69.03523	1.0
98.23364	0.9
98.97566	0.9
101.00901	3.1
101.01460	0.5
105.05499	0.6
116.98672	0.6
119.01914	6.5
135.03079	0.6
137.02937	1.3
137.06013	0.5
141.78638	0.5
152.05663	5.5
153.04140	0.6
158.99881	2.1
177.00952	13.2
178.01085	1.1
201.00940	2.2
217.04063	2.1
219.02007	19.9
220.02132	1.2
225.00929	1.8
243.01981	7.7
243.04193	0.8
260.04544	0.7
261.03061	100.0
262.03217	8.9
279.00867	0.7
284.00095	1.4
284.04523	1.2
302.01239	2.7
303.00903	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.3
63.03968	1.2
67.05490	2.0
69.03434	2.9
70.58923	4.1
81.07069	2.2
83.04991	1.7
85.02903	2.0
87.04514	1.6
91.05487	2.7
93.07041	2.6
95.04975	1.9
97.02938	1.7
97.06547	1.9
98.98486	1.2
105.07024	2.1
107.04965	2.2
108.46426	1.6
109.10194	1.3
111.08053	1.5
114.09189	2.7
119.08554	1.6
121.06441	1.5
123.04192	19.5
135.04414	2.0
137.05995	2.5
141.06987	1.8
148.06326	1.9
161.06009	7.6
163.03934	1.6
165.01822	2.0
165.07030	2.3
183.08072	2.1
185.04207	87.6
191.03354	7.3
193.06557	4.0
196.09978	1.6
197.06013	3.1
201.25964	1.4
206.08330	3.6
210.06723	2.6
221.05994	3.5
225.09099	2.5
229.05070	1.7
230.09532	1.3
237.69853	1.5
239.06967	4.5
239.11823	6.8
243.06325	1.7
253.08517	7.7
257.04428	2.4
257.08160	1.7
267.11237	2.8
285.04037	5.7
285.09457	100.0
285.12302	12.3
286.09796	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
54.84737	1.4
55.01870	4.8
55.05515	2.9
57.03439	7.3
61.02927	12.8
67.05479	3.5
68.99767	1.5
69.03429	21.9
69.07053	2.5
70.03754	1.5
70.84405	1.4
71.04974	5.1
71.29275	1.6
73.02899	6.7
77.29095	1.3
79.05489	26.4
81.03409	10.9
81.07053	5.1
83.04988	2.2
83.08618	2.5
84.08162	1.5
85.02903	100.0
86.03250	2.4
87.04473	2.8
91.03956	5.1
91.05471	4.3
92.47627	1.5
93.07024	4.2
95.04970	5.1
95.08595	7.9
97.02894	26.9
97.06546	3.3
99.04446	6.5
100.11233	3.5
103.03956	1.4
105.03387	7.6
105.07004	6.0
107.08578	4.0
109.02883	8.1
109.06577	1.7
111.04391	2.2
113.06004	1.5
115.81112	1.5
117.06991	1.7
119.05042	2.1
119.08592	3.1
121.06531	3.4
121.10124	2.1
123.04426	39.3
123.08047	4.5
127.03922	21.1
127.07487	1.5
131.08528	2.9
133.10115	2.7
135.08046	1.7
139.11226	1.8
145.04945	31.4
147.08096	1.5
149.06059	2.1
151.11163	1.7
152.80907	1.3
153.05469	1.3
153.09142	1.4
153.99677	1.4
155.08400	1.2
161.05965	21.8
163.06021	3.2
165.06999	4.4
179.07076	3.7
182.07263	1.7
184.76920	1.5
191.03366	2.0
193.06483	3.8
193.28578	1.4
196.05502	1.9
203.07050	2.5
210.06693	3.8
221.05974	5.8
221.08006	2.3
225.09105	6.1
231.13904	2.0
253.08577	10.4
257.04233	1.5
267.11261	1.8
267.15894	2.8
285.03946	2.8
285.07684	3.5
285.11301	8.2
285.16861	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62336	0.4
55.01866	1.1
55.24370	0.4
57.03434	1.0
58.71539	0.4
65.03935	0.6
69.03349	0.4
70.82129	0.8
71.05016	0.5
76.26821	0.4
79.05495	1.3
91.05476	5.3
93.07034	0.9
95.04963	0.9
103.05446	0.9
105.03387	0.8
105.07019	3.7
106.04176	0.7
107.04974	3.6
115.05453	1.7
118.04147	1.3
119.04956	4.5
121.06518	7.1
123.04392	0.8
123.08063	0.7
125.06069	0.5
131.04930	1.3
133.06477	2.7
134.03651	0.6
135.04410	2.3
135.08086	0.9
136.05170	0.9
136.70535	0.5
137.05977	3.3
140.04654	1.6
146.03586	1.1
147.04390	0.8
147.08047	1.2
147.91476	0.5
149.05966	8.9
151.07529	2.9
153.05463	17.1
153.06715	1.1
161.05977	100.0
162.06313	3.8
163.07539	0.6
165.06995	1.3
167.07030	2.0
167.08365	0.5
168.07814	14.1
175.07561	6.5
177.05486	0.7
179.07033	21.1
180.07512	0.7
181.04984	3.4
181.06358	0.8
182.07208	0.5
193.06697	1.0
193.08623	5.7
195.06538	1.4
195.58380	0.5
196.07312	11.4
203.07033	16.2
203.08937	1.0
204.07272	0.9
209.08066	0.8
210.06786	1.1
211.09660	9.7
221.06001	1.2
221.08063	14.4
225.09157	1.0
252.07722	0.6
253.08604	2.0
267.08670	1.1
285.04245	0.7
285.07578	1.3
285.11234	3.1
306.21930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.112
Annotation	Isobatatasin I
Peak:m/z	Relative Intensity
53.04511	0.4
59.61732	0.5
67.05486	0.6
70.46764	0.8
70.47099	0.5
79.05464	1.0
81.07013	0.7
91.05444	0.6
95.04939	1.0
103.05444	0.9
105.07037	3.2
115.05424	1.7
118.04131	0.6
131.04884	1.2
133.06465	2.1
137.05965	2.7
146.03627	4.0
153.06961	2.8
154.07747	2.7
156.07043	0.5
161.05983	15.7
165.06998	26.4
166.07549	0.6
168.05705	0.5
177.07050	0.5
179.08501	1.0
181.06490	4.9
182.07291	10.1
183.08008	1.2
185.13142	0.5
192.05653	1.3
193.06490	22.8
194.07288	3.0
194.08778	0.5
197.09604	1.0
199.07539	0.8
209.05923	1.6
210.06749	20.6
211.07468	2.9
221.05971	29.4
222.06522	2.4
223.07582	0.8
225.09097	37.3
226.09460	1.1
227.07022	2.0
237.05554	0.8
238.06241	10.8
239.07002	3.4
240.23215	0.7
253.08589	100.0
254.09102	6.9
255.06520	1.7
257.11774	0.5
258.59195	0.5
270.08868	4.0
285.07990	1.4
285.11200	39.9
286.11472	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13604	0.3
52.80799	0.4
53.03949	1.9
55.01871	2.8
55.05508	0.3
57.03438	5.5
57.09209	0.3
61.02929	9.9
67.05505	1.0
69.03431	20.0
69.21043	3.0
71.01355	0.3
71.04996	2.6
73.02917	5.2
79.05496	0.8
81.03419	7.8
81.07053	0.6
83.01353	0.8
85.02905	100.0
86.03244	1.3
87.04486	2.1
91.03951	5.9
91.05473	1.8
93.07037	0.6
95.04960	0.8
95.08589	0.4
97.02891	22.8
98.03240	0.4
98.22620	0.8
99.04451	3.4
101.02374	0.8
103.03947	1.0
103.05483	0.6
105.07032	8.5
107.08630	0.4
109.02876	7.0
109.06524	0.3
115.03925	0.8
115.05469	1.0
117.06996	2.9
119.08576	4.5
127.03918	17.0
128.06229	1.3
129.07007	2.8
131.08565	1.1
133.06491	1.5
137.05957	0.4
141.07024	0.9
143.08580	1.7
145.04958	23.6
145.10197	0.4
146.03630	0.8
147.08041	3.1
147.11652	0.4
149.06042	0.4
153.06973	1.4
154.07654	0.4
154.61781	0.3
155.08499	0.7
157.10150	0.4
159.08075	0.8
161.06026	1.1
163.06017	2.9
165.06989	2.7
167.08594	1.7
169.06508	0.4
171.07997	1.6
173.09596	0.8
175.07416	0.4
175.11234	0.4
181.06503	0.8
182.07295	1.0
183.07964	0.5
185.09473	0.6
189.09093	0.4
193.06526	1.2
193.12239	0.6
195.08051	0.9
197.09544	0.5
199.07541	0.6
201.09138	0.7
210.06779	1.3
213.09122	0.6
221.05975	2.7
224.08324	0.3
225.09076	2.4
227.06984	0.5
227.10680	0.4
231.10207	1.0
238.06354	0.4
253.08617	2.6
267.10165	2.0
270.08923	0.5
285.04156	0.4
285.07990	0.7
285.11179	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
55.01860	3.7
55.05513	3.5
57.03435	11.7
59.05010	0.5
61.02926	7.5
65.03947	0.6
67.05506	6.5
67.99554	0.5
69.03429	17.9
69.07055	1.5
70.43743	0.7
70.44065	0.9
71.04997	2.9
73.02914	4.0
79.05489	6.6
81.03415	18.4
81.07053	8.0
83.04976	2.4
83.08608	4.3
85.02900	100.0
86.03248	0.9
87.04483	2.5
91.03964	5.8
91.05479	8.2
93.07043	3.5
95.04967	5.5
95.08615	3.2
97.02888	20.4
97.06506	1.3
99.04444	3.7
103.03965	0.7
103.05463	1.0
105.07027	13.3
107.04953	1.5
107.08601	1.7
109.02874	7.2
109.06510	1.9
109.10131	0.8
111.04515	0.8
111.08080	3.1
113.06026	1.3
115.03882	0.7
115.05450	1.1
117.07019	2.9
119.08572	10.1
121.09399	0.5
121.10167	2.3
123.11781	0.5
127.03909	17.2
128.06236	1.7
129.06992	5.6
131.08534	2.8
133.06487	2.6
133.10158	2.5
141.06989	1.5
142.07742	0.8
143.08536	2.6
145.04948	20.5
145.10110	1.0
147.08017	3.1
147.11676	3.4
149.09595	0.8
153.06987	1.3
155.07080	0.7
155.08548	1.1
157.10114	2.9
158.65030	0.5
159.08049	0.9
161.05988	0.7
163.06020	3.0
163.07359	0.8
165.01839	1.7
165.07005	1.5
165.12738	0.7
167.08597	1.3
171.08057	1.4
173.09616	0.8
174.63216	0.5
175.11182	2.7
177.05554	0.7
181.04950	0.9
182.07262	0.7
183.02957	1.0
185.09644	1.0
187.07610	0.5
189.09018	0.8
190.62079	0.6
193.06531	0.6
193.12238	10.1
195.08102	1.3
196.65257	0.5
201.09123	0.7
210.06772	1.1
211.13263	7.1
213.09088	0.9
216.25606	0.6
221.06058	0.8
225.09123	2.3
231.10115	0.9
253.08646	2.4
253.13390	0.5
267.15811	0.7
282.28290	0.5
285.07925	0.6
285.11560	2.2
285.16879	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04586	0.5
53.03954	0.9
55.01863	2.5
57.03436	2.8
57.59126	0.5
65.03930	0.8
67.05493	0.5
69.73636	2.3
72.81509	0.5
79.05486	3.8
81.03425	0.7
91.05476	11.1
93.03408	0.9
93.07034	2.0
95.04968	2.3
100.11235	1.0
103.05466	2.8
105.03378	2.3
105.07027	10.6
106.04218	1.1
107.04945	7.3
108.05770	1.2
109.06506	2.7
111.04423	0.6
115.05443	2.1
118.04158	2.1
119.04939	10.7
119.08577	0.9
121.06503	9.2
123.04400	0.8
123.08076	1.5
125.06013	1.1
131.04948	1.3
133.06500	7.1
134.03641	2.0
135.04420	4.3
135.08038	1.4
136.05171	2.0
137.05978	4.3
140.04663	4.7
143.06093	1.0
146.03650	1.3
147.04381	3.0
147.08070	1.6
149.05972	13.3
150.06511	0.6
151.07536	7.8
152.07954	0.6
153.05461	49.0
154.06059	0.8
161.05975	100.0
162.06297	3.5
164.04590	0.7
165.05450	1.6
165.06953	1.5
167.07022	8.6
168.07817	37.9
169.08167	1.0
175.07553	6.0
176.97115	0.6
177.05513	1.6
178.06226	0.6
179.07033	24.3
180.07512	1.2
181.04944	3.4
181.08621	2.2
193.06795	1.3
193.08585	12.4
195.06580	1.1
196.07307	33.5
197.06030	0.7
197.07809	0.9
203.07001	13.5
204.07349	0.6
209.08104	2.6
210.06741	1.2
211.09644	22.9
212.10175	0.8
221.05948	1.3
221.08047	11.8
222.08481	0.7
225.09079	1.3
249.14734	0.6
253.08601	2.2
285.07816	1.2
285.11200	3.5
285.24072	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
53.65396	1.4
55.01866	3.4
55.05512	23.8
57.03439	49.1
60.08158	1.7
65.03926	2.2
67.05507	35.3
69.03426	6.3
69.07070	9.7
71.04987	9.4
76.94495	1.5
77.03894	1.3
79.05494	31.2
81.03418	83.7
81.07058	48.0
83.04980	17.4
83.08141	2.0
83.08618	29.5
85.02904	79.8
85.06549	3.2
91.05479	45.4
93.07040	26.6
95.04973	35.4
95.08601	17.6
97.02892	4.6
97.06519	6.8
97.10161	4.6
98.22536	3.1
105.07033	31.3
107.04935	6.5
107.08607	12.8
109.06523	6.1
109.10151	7.7
111.04416	4.1
111.08083	21.7
111.24348	1.3
113.05995	6.5
115.05473	2.6
119.08576	32.1
121.06457	2.6
121.10142	15.6
123.08063	4.2
123.11703	3.6
125.09617	2.3
128.06200	2.4
129.06993	12.7
131.08583	16.7
132.19621	1.4
133.06490	3.7
133.10144	13.9
137.09595	3.0
142.07791	3.5
145.10149	2.7
147.11693	23.4
149.09605	11.1
157.10139	21.4
159.11685	2.8
165.07071	1.7
165.12749	5.8
171.07957	2.3
172.92992	1.8
175.11189	27.9
184.05058	1.8
193.12242	100.0
194.12473	3.5
195.08000	1.8
197.13240	2.2
199.03731	1.8
199.07535	17.8
209.06018	2.6
210.06744	3.0
211.13293	72.5
214.06317	1.7
223.07553	1.5
224.08246	3.0
225.09058	4.2
227.03461	2.4
227.07010	21.1
228.07455	1.6
229.08525	2.0
237.09081	2.5
239.03238	1.6
242.02094	1.7
242.05731	4.0
242.09412	13.8
252.07788	4.6
253.08569	5.6
255.06456	5.2
257.04309	2.2
257.11716	2.4
267.10187	14.7
267.21146	1.9
270.08871	12.1
284.32993	1.8
285.03900	5.2
285.07529	9.0
285.11145	32.9
285.16910	55.7
285.22021	6.3
286.11609	3.1
286.17191	2.4
296.13913	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
55.01871	4.8
55.05513	29.2
57.03438	52.9
62.25710	1.7
67.05505	41.3
69.03429	6.7
69.07061	12.1
70.07976	1.6
71.04997	10.4
79.05489	41.1
81.03416	82.3
81.07053	53.8
83.04982	20.1
83.08614	36.1
85.02905	86.9
85.06553	2.7
91.05477	50.9
93.07038	24.3
95.04969	47.1
95.08613	18.6
97.02919	4.0
97.06511	7.9
97.10157	3.7
98.22499	2.6
99.08102	2.9
105.07034	38.5
107.04957	7.0
107.08567	9.5
109.06528	7.4
109.10151	3.3
111.04465	4.2
111.08073	23.6
113.06000	6.5
114.83603	1.6
115.05479	1.6
119.08582	29.9
121.10124	15.5
123.08070	4.1
123.11731	5.4
129.07004	13.7
131.08557	17.6
133.06531	2.1
133.10127	14.0
137.09642	3.4
138.57030	1.9
142.07733	2.0
145.10149	3.7
147.08066	4.5
147.11684	28.7
149.09653	10.0
157.10112	26.4
158.10458	2.2
165.12756	7.8
167.89589	1.6
175.11195	24.9
193.12239	100.0
194.12582	4.6
211.13289	70.6
249.61876	1.7
267.04077	1.8
285.07687	3.2
285.16910	54.7
285.33392	2.2
286.17325	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.4
55.01871	4.5
55.05270	2.4
55.05515	25.8
57.03439	52.1
59.05007	1.4
67.05508	38.6
67.50124	1.4
69.03426	6.4
69.07079	13.1
70.56008	2.9
71.04979	9.9
79.05494	36.4
80.53050	1.3
81.03421	99.4
81.07061	47.2
83.04984	19.6
83.08621	35.2
85.02908	96.9
85.06552	3.9
91.05483	50.9
93.07046	29.0
95.04970	45.3
95.08604	23.4
97.02898	6.4
97.06534	7.4
97.10156	4.0
99.08107	1.8
105.07032	31.2
107.04951	7.8
107.08600	10.7
109.06511	8.5
109.10152	5.5
111.04450	4.8
111.08086	24.9
113.05994	6.8
117.07047	3.3
117.45827	1.6
119.08568	28.8
121.06524	2.0
121.10145	19.6
123.08092	2.9
123.11719	5.0
125.05919	1.5
125.09690	2.5
125.38412	1.7
129.07019	14.5
131.08574	14.0
133.06433	3.5
133.10147	13.5
137.09578	1.9
142.07834	3.5
145.10170	2.9
147.08075	4.4
147.11691	29.6
149.09650	10.9
157.10135	20.7
158.10532	1.7
165.12799	6.8
175.11198	27.9
193.12248	100.0
194.12581	4.3
211.13293	76.2
212.13675	3.3
225.09421	1.4
253.08580	2.5
256.12735	1.8
267.21112	2.1
285.16986	59.9
286.17114	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
55.01854	4.9
55.05507	33.7
55.69650	1.8
57.03440	58.6
59.05011	2.1
65.03930	3.3
67.05503	44.2
68.52232	1.7
69.03262	17.7
69.07087	12.7
71.04996	14.8
79.05493	41.7
81.03419	96.7
81.07056	48.7
83.04987	23.3
83.08619	29.9
83.56102	1.7
85.02906	84.3
85.06539	2.7
91.05480	55.5
93.07043	27.8
93.59447	1.8
95.04971	40.5
95.08602	24.0
97.02882	7.6
97.06504	7.7
97.10146	3.1
99.08069	3.4
103.05468	2.8
105.07023	43.8
105.07671	4.0
107.04955	8.4
107.08601	14.0
107.62124	1.8
109.06502	9.6
109.10142	8.4
109.10838	2.2
111.04464	4.9
111.08092	18.2
113.06001	7.0
115.05429	2.2
117.06998	3.2
119.08582	32.1
121.06525	1.9
121.10147	16.7
123.04458	1.8
123.08060	8.0
123.09850	1.6
123.11672	4.4
125.09645	3.0
129.07005	14.5
131.08557	17.2
133.06476	3.6
133.10112	16.4
135.08076	2.0
135.11678	2.1
137.05972	3.1
137.09598	3.3
141.06990	3.0
142.07774	4.7
145.10092	2.8
146.03604	6.2
147.08060	3.2
147.11685	29.8
149.09628	12.1
152.06194	2.1
153.06995	4.5
154.07742	2.8
157.10118	27.2
161.05994	19.7
165.06992	27.9
165.12712	7.0
167.08582	4.1
169.10118	2.2
175.11189	26.8
179.08620	2.1
181.06496	9.2
182.07333	14.0
193.06522	20.3
193.12241	81.4
194.07182	3.6
195.08035	3.3
196.08821	4.2
197.09592	3.8
199.07552	4.6
207.08086	2.0
209.05997	7.7
210.06772	23.6
211.07481	4.1
211.11255	2.8
211.13275	51.1
211.15164	3.3
217.57141	1.8
220.05252	2.4
221.05954	26.7
222.06592	2.7
224.08324	8.1
225.05620	2.0
225.09117	33.0
227.07091	8.9
229.04884	3.4
238.06284	8.8
239.06992	3.7
239.10651	2.4
242.09312	2.7
252.07802	6.0
253.08574	34.2
254.09055	2.9
255.06555	6.2
257.04108	2.5
267.10190	14.1
267.15814	5.4
270.08908	12.7
285.03937	7.3
285.08020	4.0
285.11212	100.0
285.16876	63.5
286.11536	6.0
286.17325	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Botryaloic acid
Peak:m/z	Relative Intensity
53.03933	3.9
53.99250	0.8
55.01869	5.0
55.05512	24.8
56.17333	0.8
56.58778	0.8
57.03439	55.4
57.07071	2.1
59.04996	1.4
65.03922	1.1
65.38544	0.8
67.05505	35.7
69.03426	7.1
69.07071	10.5
71.04991	9.2
79.05495	37.8
81.03419	92.5
81.07058	47.4
82.03767	1.9
83.04982	17.3
83.08619	40.2
83.09119	2.0
85.02906	89.5
85.06529	3.9
86.03247	1.9
90.09412	0.8
91.05483	40.5
92.05806	1.4
93.06464	1.8
93.07041	26.4
95.04974	37.1
95.08604	14.1
97.02883	4.7
97.06538	7.2
97.10158	4.5
98.22530	1.9
99.08084	2.2
101.06039	1.3
103.05471	1.1
105.07027	30.8
107.04965	7.4
107.08602	11.8
109.06529	7.4
109.10144	3.6
111.04436	3.7
111.08086	23.9
113.06016	5.9
115.05442	2.4
117.06992	2.5
119.08582	30.5
119.09454	1.7
121.06489	1.1
121.10139	16.0
123.08100	4.2
123.11689	4.0
124.76021	0.8
125.09612	1.1
127.07517	1.1
128.06239	1.2
129.07021	12.2
131.08569	14.0
133.06477	3.8
133.10110	12.0
137.09625	2.0
137.13240	1.1
142.07776	4.2
145.10115	2.8
147.08061	4.6
147.11685	26.6
148.12003	1.3
149.09596	9.4
151.11168	1.4
157.10124	19.5
163.11168	1.0
163.83073	0.9
165.12726	6.0
175.11186	26.1
176.11394	1.0
180.62355	1.0
193.12244	100.0
194.12537	3.3
197.13144	0.9
211.13295	75.0
212.13615	2.7
223.22087	1.0
227.84604	1.0
253.08527	1.6
267.16031	1.1
271.69821	0.9
285.16928	47.6
286.17236	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.1
53.03939	6.3
55.01871	7.2
55.05269	2.7
55.05513	30.5
57.03438	55.7
59.05009	3.4
64.70016	1.8
65.03947	2.3
67.05506	51.7
69.03423	7.3
69.05228	17.3
69.07071	16.8
71.05005	12.6
79.05498	46.5
79.05952	2.1
80.03253	1.9
81.03420	99.2
81.07059	60.8
83.04980	23.8
83.08617	41.4
85.02908	91.1
85.06540	4.9
87.82823	1.7
91.05480	53.4
93.07055	26.5
95.04972	48.1
95.08607	25.5
97.02898	6.5
97.06529	9.7
97.10146	3.1
105.07029	48.3
107.04974	9.3
107.08605	17.4
109.06521	12.8
109.10155	4.7
111.04421	5.4
111.08092	22.2
113.06004	5.5
115.05470	4.3
117.07049	4.1
119.08583	35.4
121.06512	3.3
121.10151	18.7
123.08082	9.9
123.11691	7.0
129.07002	18.3
131.08553	18.1
133.06483	5.6
133.10135	20.2
135.11670	2.7
137.05957	3.5
137.09633	2.4
142.07765	6.5
143.08582	2.0
143.61256	1.8
145.10107	2.4
146.03610	5.2
147.08081	4.9
147.11687	26.8
147.16988	1.7
148.12006	2.3
149.09593	12.1
151.11224	2.6
153.07019	4.5
154.07838	2.4
157.10107	28.4
158.10536	2.1
161.04811	2.7
161.05951	14.6
163.11154	2.5
165.06990	22.9
165.12793	10.0
175.11171	28.8
181.06505	6.1
182.07283	12.8
193.06508	15.9
193.12242	100.0
194.07150	2.4
194.12611	3.3
195.08049	2.1
196.08730	2.4
197.09683	2.5
199.07605	3.0
201.54771	1.9
209.05975	6.3
210.06700	15.6
211.07521	2.8
211.13290	55.0
211.15170	3.8
221.05983	24.0
222.06421	2.5
224.08337	3.9
225.09085	27.5
227.06984	5.7
229.04971	4.2
229.14351	2.3
235.07547	2.8
238.06329	4.0
239.06952	2.2
242.09268	2.0
252.07797	5.7
253.08604	37.5
254.09189	4.5
255.06595	5.7
267.10162	15.4
267.15976	5.2
270.08841	8.7
282.27960	2.1
285.04031	5.6
285.07935	3.3
285.11215	82.2
285.16925	71.4
285.19543	1.5
286.11511	5.1
286.17297	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Botryaloic acid
Peak:m/z	Relative Intensity
51.02388	1.9
53.03940	4.4
55.01863	4.7
55.05241	1.7
55.05513	36.3
57.03439	61.3
57.07064	1.7
59.03162	1.7
59.04998	2.9
59.76479	1.3
63.26046	1.4
65.03944	1.9
67.05506	47.1
69.03419	5.8
69.07073	17.1
69.92492	6.1
71.04993	12.3
73.80697	1.5
76.03978	2.6
79.05070	2.5
79.05497	41.3
81.03418	93.2
81.07056	67.5
82.03734	2.9
83.04978	23.6
83.08150	3.3
83.08620	42.2
85.02905	98.1
85.06535	6.0
91.05479	62.1
93.07043	31.7
95.04970	44.9
95.08042	2.5
95.08604	32.0
97.02885	4.3
97.06543	10.3
97.10164	5.2
98.23383	1.4
99.08083	2.9
105.07034	44.8
107.04942	8.6
107.08587	21.2
108.09010	1.5
109.06499	10.1
109.10160	9.8
111.04419	5.4
111.08090	23.6
113.06021	7.5
115.05431	3.8
117.07015	4.4
119.08576	39.3
120.08910	1.6
121.06467	2.4
121.10156	24.3
123.08056	6.9
123.11695	6.2
125.09603	2.0
129.07002	16.5
131.07697	1.8
131.08582	20.0
133.06458	4.2
133.10124	21.8
135.11682	4.0
137.09590	4.8
141.06972	1.8
142.07785	4.2
142.85649	1.4
143.08559	5.2
145.10141	10.8
147.08037	5.2
147.11681	33.3
148.12019	1.8
149.09605	14.5
151.11139	2.4
155.08542	2.3
157.10127	29.7
159.11696	5.7
161.13245	3.4
165.12787	8.1
169.10010	2.6
171.11662	5.0
173.13274	4.1
175.11191	30.3
183.11696	3.3
185.13242	2.3
187.14798	4.0
193.06487	1.9
193.12248	100.0
194.12605	3.2
197.13217	2.1
199.14766	2.8
203.14560	1.6
211.13272	69.3
211.14815	3.0
212.13602	1.7
213.29840	1.5
225.09119	3.1
225.16226	1.7
227.17982	1.8
229.15843	1.4
239.03459	2.5
239.17831	2.3
242.10753	1.7
253.08508	3.9
267.21121	9.0
270.05206	1.7
285.07501	4.9
285.11411	4.4
285.16919	59.8
285.21866	21.4
286.17264	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02421	1.3
52.45415	1.3
53.03934	3.9
55.01863	5.7
55.05508	31.5
57.03162	3.1
57.03436	61.8
57.07072	3.3
59.04987	2.6
64.73476	1.3
65.03928	2.7
65.73972	1.3
67.05502	47.6
69.03448	7.7
69.05419	1.2
69.07068	13.6
70.44205	1.2
71.04991	10.7
79.05013	1.5
79.05488	43.7
81.03414	85.3
81.06586	3.1
81.07056	57.4
82.07381	3.0
83.04979	20.9
83.08147	2.5
83.08617	40.4
85.02903	100.0
85.06522	6.2
91.05476	54.1
93.07043	36.4
94.07385	1.7
95.04964	38.7
95.08611	24.4
97.02882	3.4
97.06532	7.1
97.10145	4.9
99.08085	2.3
100.21587	1.4
105.07024	42.1
107.04960	9.9
107.08603	14.0
109.06541	8.1
109.10180	8.0
110.30046	1.5
111.04430	4.9
111.08073	22.1
113.05968	6.6
114.79374	1.3
115.05428	3.3
117.06969	2.2
119.04950	1.7
119.08578	35.2
120.08962	1.7
121.06482	4.1
121.10122	18.8
123.08044	3.2
123.11681	4.0
125.09606	2.0
128.06100	2.1
129.07018	13.3
131.08571	18.1
133.06487	2.4
133.10126	16.4
135.11613	3.7
137.09592	2.8
142.07761	3.9
143.08531	2.2
145.10103	6.4
147.07999	5.8
147.11681	29.6
149.09602	12.2
155.08586	1.3
155.91559	1.5
157.10120	24.6
159.07980	1.5
159.11699	2.0
161.13213	1.5
163.11154	2.2
165.12764	8.0
169.10117	1.5
171.11604	1.7
173.13219	1.9
175.11172	25.1
189.12689	1.9
193.12228	84.9
194.12558	3.1
197.13339	2.3
199.14792	2.9
201.12767	1.6
201.16322	1.4
211.13277	61.2
212.13600	2.7
227.17780	2.0
239.03221	2.7
255.11574	1.5
267.21057	1.5
270.05386	1.6
284.33121	4.0
285.07507	3.5
285.16901	53.2
285.22089	7.1
285.25287	2.6
285.33386	5.8
286.17331	2.7
303.55917	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13269	0.5
53.03947	2.8
55.01871	4.6
55.05239	0.6
55.05511	12.4
57.03436	28.5
59.05001	1.0
61.02935	5.5
62.40727	0.5
65.03937	0.9
65.86357	0.5
67.05502	20.4
69.03429	15.0
69.07066	6.0
71.01357	0.9
71.04993	6.6
73.02917	3.4
79.05492	22.2
81.03416	47.2
81.07054	24.2
82.03777	1.0
83.04977	9.4
83.08617	16.0
83.09114	0.8
85.02903	100.0
85.06537	1.8
86.03230	1.4
87.04465	1.6
88.77340	0.6
91.03973	3.4
91.05478	20.9
93.07040	14.2
95.04356	1.0
95.04967	18.8
95.08608	10.3
96.58461	0.5
97.02892	13.8
97.06541	2.9
97.10168	1.1
97.57584	0.5
99.04465	3.5
99.08076	0.9
103.03929	1.3
103.05431	0.8
105.04514	0.8
105.07027	25.5
106.07283	0.6
107.04935	3.8
107.08591	6.5
109.02889	4.0
109.06493	3.8
109.10133	2.8
111.04438	2.3
111.08075	9.8
113.06016	3.9
115.03959	0.5
115.05452	1.4
117.07034	2.9
119.08579	16.1
121.06512	1.0
121.10133	7.1
123.08073	3.0
123.11697	2.2
125.09648	1.1
127.03905	12.2
128.06212	2.2
129.06985	8.2
131.08559	8.0
133.06467	3.0
133.10115	7.5
135.08093	0.6
137.06012	0.5
137.09578	0.8
141.06955	1.0
142.07799	1.8
143.08540	0.9
145.04955	15.5
145.10109	1.5
147.08086	4.4
147.11685	11.8
148.12001	0.6
149.09612	4.2
150.09973	0.6
152.06175	0.8
153.05624	0.5
153.06990	1.0
155.05975	0.6
155.08533	0.6
157.10127	10.0
159.08032	0.8
161.06039	0.7
163.06027	2.3
165.01877	1.7
165.07024	1.7
165.12793	2.8
167.08528	1.2
169.03078	0.6
171.08047	1.7
175.11180	11.9
182.07312	0.8
183.02919	1.0
185.09607	0.8
193.06554	1.0
193.12233	39.1
194.12569	1.6
195.08109	0.7
201.09117	0.8
210.06772	0.7
211.13290	26.4
212.13623	1.4
213.09076	0.6
221.06078	1.2
224.08636	0.5
225.09018	1.4
229.05113	0.7
253.08612	2.3
267.10123	0.8
267.15851	2.3
285.04077	0.9
285.08130	0.6
285.11325	2.1
285.16956	27.6
286.17276	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.1
55.01878	5.5
55.05513	29.9
57.03440	55.5
57.07072	1.8
65.03941	3.0
67.05508	47.1
69.03431	6.0
69.07068	10.5
70.26988	4.1
71.01357	2.0
71.05002	10.1
79.05496	46.1
81.03421	100.0
81.07059	57.7
82.03783	1.8
83.04987	26.5
83.08619	35.9
85.02908	95.9
85.06558	5.3
91.05486	54.8
93.07047	32.3
95.04977	44.2
95.05555	2.9
95.08610	24.8
97.02881	3.7
97.06544	7.7
97.10173	3.3
101.98863	1.6
105.04509	1.8
105.07034	43.3
107.04962	8.5
107.08572	13.9
109.06540	10.5
109.10173	5.7
111.04459	4.6
111.08099	18.5
113.05328	1.9
113.06011	9.7
115.05441	4.6
117.07005	3.5
119.08585	37.2
121.06511	2.1
121.10159	18.3
123.08063	4.2
123.11732	2.8
125.05984	2.1
129.07013	15.8
131.08574	20.1
133.06491	6.3
133.10133	20.1
137.09651	2.7
142.07803	5.0
145.10133	4.1
147.08061	5.7
147.11700	31.3
149.09633	9.9
151.11166	1.9
157.10150	23.0
161.06035	2.7
163.11238	3.2
165.07037	5.1
165.12820	5.5
175.11189	24.4
182.07248	2.6
193.06538	4.5
193.12253	79.7
194.12720	2.7
199.07649	2.4
210.06749	6.0
211.13309	53.2
212.13658	2.8
221.06007	3.3
225.09088	13.6
227.06984	2.6
238.06236	3.4
251.26341	2.2
253.08600	16.2
267.15881	2.4
285.04114	4.2
285.11414	13.0
285.16928	47.1
285.22177	2.8
287.05457	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.6
54.42543	1.0
55.01859	5.4
55.05513	26.8
57.03439	49.7
57.07074	1.6
57.59291	1.1
58.35273	1.1
59.04986	1.7
65.03924	1.5
67.05508	40.3
69.03429	6.2
69.07066	12.4
70.50031	0.9
71.01351	1.4
71.04994	13.8
79.05494	35.8
81.03419	93.0
81.07057	50.3
82.03748	1.6
82.07385	1.3
83.04984	17.3
83.08619	37.5
85.02907	96.1
85.06535	3.2
91.05482	46.0
93.07051	26.7
95.04969	37.1
95.08607	17.0
97.02889	4.7
97.06528	7.5
97.10150	3.6
98.23435	2.4
99.08086	2.1
105.07032	36.0
107.04971	7.4
107.08604	11.6
109.06498	7.5
109.10146	7.6
111.04453	4.5
111.08090	21.2
113.05990	6.1
115.05478	1.6
117.07030	3.0
118.98808	1.0
119.04942	1.4
119.08585	36.1
120.08949	1.4
121.06513	3.1
121.10139	15.0
123.08080	3.7
123.11684	3.3
125.09644	2.5
128.06255	1.1
129.07013	15.1
131.08562	17.0
133.06511	3.2
133.10132	13.6
134.10449	1.3
137.09641	2.8
142.07748	3.6
143.08551	2.8
145.10149	5.7
147.08069	3.3
147.11690	28.8
149.09605	9.0
155.08600	1.5
157.10139	21.0
159.11713	2.6
163.11226	1.2
165.12779	6.6
169.10153	1.3
171.11656	2.1
173.13252	1.5
175.11198	27.6
175.14748	1.5
185.13210	1.4
187.14809	1.5
193.12242	100.0
194.12610	3.8
197.13177	1.5
199.14833	2.1
211.13292	72.8
212.13631	3.3
217.15781	1.2
218.11775	1.1
225.16348	1.6
227.17967	1.3
228.65929	1.1
267.21094	2.4
285.07794	1.1
285.12656	2.8
285.16949	53.1
285.21716	9.1
286.13043	1.0
286.17361	2.9
292.43753	1.1
294.40375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.7
54.99074	1.6
55.01878	4.4
55.05514	29.6
57.03438	55.8
57.07069	3.5
59.04997	3.1
60.17945	2.0
65.03919	2.5
67.05506	51.4
69.03437	6.2
69.07076	15.5
71.04993	13.5
79.05498	43.5
81.03419	80.3
81.07057	63.0
83.04988	20.5
83.08622	37.1
85.02906	100.0
85.06575	3.8
91.05485	57.0
93.07043	37.1
95.04974	35.0
95.08606	23.6
97.02872	2.0
97.06546	8.4
97.10181	5.7
98.23433	4.8
105.07030	48.2
105.77722	2.0
106.07362	1.8
107.04977	7.3
107.08588	16.4
109.06535	7.2
109.10185	10.0
111.04455	3.4
111.08089	18.7
113.06007	8.0
115.05490	3.0
117.07028	4.7
119.08580	42.5
121.10141	21.3
123.08103	6.1
123.11742	4.6
125.09694	2.2
128.06207	2.0
129.07019	12.6
131.08578	22.3
133.06531	4.4
133.10133	24.5
137.09633	4.7
137.13274	2.2
142.07777	4.8
143.08536	2.7
145.10107	9.5
147.08066	6.8
147.11681	31.8
149.09608	13.7
157.10129	27.2
159.11714	8.7
161.13312	2.3
165.12761	4.6
169.10136	4.9
171.11670	2.2
173.13229	2.7
175.11192	29.4
187.14754	2.3
193.12245	90.8
194.12605	3.5
199.14876	2.8
201.16426	3.1
211.13269	55.5
211.15132	2.9
227.17867	2.8
227.43475	1.8
228.92502	2.6
255.11787	3.2
267.21014	6.3
270.14117	3.4
284.33142	2.1
285.07617	5.2
285.16907	51.1
285.21814	18.8
285.33490	2.8
286.17328	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2212
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
53.53529	3.0
55.05514	26.2
57.03437	3.2
57.07076	7.6
67.05511	31.2
69.03426	6.8
69.07070	70.4
69.27928	23.1
71.04971	9.7
79.05495	23.8
81.07059	76.3
83.04983	8.5
83.08634	17.2
85.02902	3.8
85.06507	5.9
91.05488	40.4
93.07042	48.5
95.04962	17.7
95.08611	57.7
97.06550	19.7
97.10175	8.8
99.08041	3.4
102.46434	3.1
105.07034	100.0
107.08598	50.6
108.08982	3.5
109.06532	23.1
109.10155	44.8
111.08086	9.4
117.07018	11.6
119.08582	94.1
121.06502	11.8
121.10136	46.8
123.11711	33.1
125.09645	4.0
128.06232	6.2
129.07007	5.6
131.08574	23.8
133.10127	62.5
135.08054	14.2
135.11674	14.3
137.09641	5.6
142.07803	5.2
143.08617	16.3
144.09401	4.0
145.10129	39.7
146.07239	6.5
147.07988	5.1
147.11690	36.9
149.09633	14.2
149.13232	5.5
154.07758	4.2
155.08549	10.3
157.10143	27.1
159.08017	5.6
159.11679	23.7
161.09618	83.1
161.13226	16.2
163.11171	4.2
163.14751	5.4
167.08574	5.9
169.10121	18.3
170.10915	4.5
171.11661	14.6
173.13307	15.1
175.11220	9.2
175.13406	6.5
175.14822	67.7
177.16406	12.2
182.10896	5.4
183.11679	12.6
185.13281	16.3
187.11160	4.3
187.14859	6.0
189.12828	5.7
189.16389	8.6
193.15892	14.7
197.13286	16.1
199.14859	7.1
201.16379	7.8
203.14307	4.4
203.17979	4.9
211.13161	4.2
211.14908	17.8
215.17917	6.5
225.16350	4.7
227.17834	6.8
229.15860	6.6
267.21069	23.5
285.07443	5.2
285.16663	5.3
285.22119	80.4
285.25433	5.4
285.29553	4.7
285.33298	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
52.63374	1.2
53.03932	4.2
55.01860	3.8
55.05274	1.4
55.05510	20.8
57.03162	1.1
57.03436	20.0
57.07054	1.9
59.04998	1.5
65.03924	2.3
67.05503	31.9
69.03432	6.6
69.07065	16.8
71.05003	7.9
71.28902	1.3
75.89024	1.0
77.40579	1.0
79.05492	33.4
81.03418	31.6
81.07056	66.0
83.04977	12.5
83.08617	17.0
85.02437	1.9
85.02910	27.9
85.06524	2.7
91.05477	33.1
93.06469	2.0
93.07042	40.5
95.04964	17.9
95.08604	36.1
96.05251	1.4
97.02884	1.7
97.06530	8.0
97.09013	1.2
97.10147	4.5
99.08105	2.4
100.88828	1.1
101.06036	1.4
105.04558	1.3
105.07028	55.6
106.07359	1.8
107.04930	5.2
107.08585	35.4
109.06528	9.3
109.10156	19.0
111.04455	2.4
111.08088	11.3
111.98036	1.2
113.06014	2.2
113.09624	1.3
115.05425	2.4
117.07021	9.1
119.08578	46.7
119.09438	2.2
121.06483	4.8
121.10134	24.6
123.08064	4.6
123.11715	7.0
125.09597	4.2
128.06207	4.1
129.06989	10.4
130.07715	2.5
131.08563	25.1
133.06477	2.1
133.10124	31.8
135.08086	6.0
135.11720	10.4
137.09610	4.9
139.11124	1.7
141.06975	4.0
142.07773	5.7
143.08565	15.9
144.09181	1.7
145.06432	1.3
145.10117	32.0
146.10397	1.5
147.08035	4.6
147.11679	31.4
149.09622	13.1
149.13220	3.4
151.11153	2.2
153.06985	2.7
154.07732	2.3
155.08543	8.8
156.09309	3.1
157.08881	2.0
157.10121	25.3
158.10480	2.2
159.08064	2.8
159.11678	24.5
160.08899	1.3
161.05960	3.6
161.09605	3.6
161.13219	10.1
163.11185	2.5
163.14880	1.6
165.06993	6.4
165.12747	3.0
167.08534	2.5
168.09299	1.8
169.10120	13.1
170.10756	1.7
171.11705	14.5
173.09592	3.3
173.13257	13.8
174.13823	1.1
175.11182	12.8
175.14815	8.7
177.12758	2.7
177.16290	1.3
179.08568	1.5
181.06448	2.2
181.10110	2.6
182.07121	3.1
182.10872	1.8
183.11700	10.6
184.12360	1.2
185.13272	12.1
186.13962	1.3
187.11177	3.5
187.14809	12.8
189.12706	3.7
189.16397	2.3
191.14311	2.6
193.06387	2.9
193.10622	1.0
193.12234	29.7
195.11658	1.9
196.12526	2.8
197.09586	1.7
197.13278	11.0
199.07458	1.7
199.14824	11.9
201.12704	3.5
201.16319	6.8
203.14236	4.0
204.15039	2.2
209.13361	1.8
210.06770	3.3
211.13232	23.1
211.14874	11.0
212.15364	1.2
213.16393	3.8
215.14351	3.2
217.15909	2.2
221.05957	4.8
224.15620	1.2
225.09134	7.3
225.16455	7.6
226.13527	1.2
227.03363	2.1
227.06879	1.7
227.17899	9.9
229.12141	1.4
229.15923	7.9
239.03339	5.0
239.17937	4.2
240.04028	2.1
241.19456	4.6
243.17387	2.5
248.59998	1.4
252.07851	1.2
253.08553	8.5
254.05751	2.3
255.06192	1.5
257.19025	2.3
257.22589	3.6
267.10010	2.5
267.21063	31.5
268.21307	1.8
274.57001	1.4
285.04471	2.1
285.07541	10.1
285.11194	15.2
285.16663	10.2
285.18588	5.6
285.22064	100.0
286.17273	1.4
286.22363	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.4
55.05509	7.5
57.03433	1.9
57.07073	3.8
67.05499	17.0
69.06676	1.0
69.07066	21.0
69.86889	1.0
79.05489	9.7
81.03409	2.5
81.07056	43.1
82.03169	1.0
82.07395	1.1
83.08616	7.6
85.02905	2.2
90.57681	0.7
90.79191	0.8
91.05486	9.6
93.07041	17.3
95.04974	1.9
95.08605	43.8
97.10172	3.3
101.18374	0.8
105.07024	22.4
107.08590	25.2
109.10153	33.8
111.11698	1.2
117.06990	2.2
119.08574	26.0
121.10143	20.9
123.11708	26.8
131.08568	6.2
133.10130	18.2
135.11693	14.8
137.13234	9.4
140.64676	0.9
145.10117	11.7
147.11678	22.1
148.12102	0.9
149.13249	17.7
151.14871	1.5
157.10092	1.4
159.11688	13.4
161.13245	18.1
162.13637	0.9
163.14836	11.4
173.13263	8.7
175.14803	15.0
177.16370	4.1
187.14816	8.3
189.16396	11.9
191.17953	2.2
193.12247	2.8
201.16399	12.3
203.17975	11.9
204.34433	0.9
211.13286	1.3
215.17950	10.8
227.03326	1.7
229.19525	11.2
242.05638	1.2
243.21091	2.7
257.22717	1.5
285.07584	3.3
285.16708	2.8
285.25754	100.0
286.26132	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52391	1.3
53.03942	2.0
55.05513	10.8
57.07074	5.6
62.89410	1.1
67.05506	22.1
69.07064	22.0
69.40900	5.4
69.41311	2.4
79.05489	12.1
81.07056	49.5
83.08620	9.9
89.33562	1.1
91.05466	9.2
93.07047	24.4
95.04952	1.3
95.08603	57.9
97.06518	1.4
97.10143	2.8
98.22675	2.1
99.08150	1.4
105.06365	2.1
105.07028	26.2
107.08592	33.7
109.06532	1.8
109.10150	46.5
111.08113	1.1
111.11718	1.3
117.07008	4.7
119.07779	2.1
119.08578	30.7
121.10136	26.3
123.08102	1.5
123.11707	25.8
129.06963	2.0
131.08553	10.7
133.10129	23.5
135.11699	16.5
137.09608	2.5
137.13245	11.0
143.08536	3.2
144.09267	1.3
145.10144	14.0
147.11673	20.9
149.09700	1.0
149.13251	20.5
151.11182	4.2
157.10115	3.6
158.10724	1.2
159.11690	15.6
161.13251	22.9
162.72791	1.3
163.14815	12.4
169.10124	2.1
171.11697	2.7
172.12350	1.4
173.13246	11.5
175.11256	1.7
175.14836	14.9
177.12711	1.6
177.16371	5.0
183.11665	2.0
185.13229	3.2
187.14792	8.7
187.88936	1.1
189.12738	1.5
189.16382	14.5
189.67065	1.2
191.14389	1.6
191.17981	2.3
197.13275	1.8
199.14764	4.2
201.12852	1.6
201.16382	7.7
203.17912	13.1
211.14832	3.3
215.17929	11.4
225.16487	3.0
227.06870	1.3
227.17886	3.7
229.15919	1.8
229.19466	9.2
243.21074	3.6
253.08487	1.4
257.22556	1.4
266.27051	1.3
267.20999	10.0
285.22116	55.1
285.25729	100.0
285.33301	4.1
286.22473	3.1
286.26059	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Kaempferol
Peak:m/z	Relative Intensity
51.18266	0.1
53.00583	0.1
53.03936	0.3
55.01868	0.3
60.17239	0.1
65.03933	0.4
67.01865	0.4
68.99789	2.4
69.03415	0.2
71.01328	0.2
79.05495	0.6
81.03408	0.4
81.07047	0.2
85.02876	0.1
86.02748	0.1
91.05478	0.7
94.04197	0.2
95.04974	0.4
97.02901	0.1
103.05453	0.5
105.03388	1.0
105.04469	0.2
105.07028	0.4
107.04952	1.3
108.77215	0.1
109.02882	0.7
109.06514	0.4
111.00812	1.5
111.04454	0.3
115.05453	0.3
115.21992	0.1
117.03265	0.1
117.06976	0.2
119.04878	0.2
121.02866	7.2
121.03825	0.2
121.06477	0.8
127.03905	0.3
128.06209	0.2
129.06982	0.3
131.04930	0.4
133.02826	1.0
133.06505	0.2
134.03587	0.1
135.04384	0.4
135.08057	0.8
137.02341	2.2
137.05980	1.6
141.06978	0.4
143.04912	0.2
145.06479	0.7
147.04402	1.4
149.05988	1.2
151.03845	0.2
151.07518	1.0
152.06200	1.0
153.01828	10.5
153.06946	0.2
154.02209	0.2
157.06499	1.1
161.05986	0.4
163.03877	0.3
163.07562	1.4
165.01840	3.6
165.07028	0.4
165.09132	0.2
166.07756	0.7
167.07234	0.1
167.08551	3.1
169.06451	0.4
171.04431	0.6
175.03954	0.3
175.07521	0.2
177.05479	0.2
177.06964	0.2
181.06470	0.3
183.02892	1.5
184.05119	0.1
184.08878	0.2
185.05969	0.9
189.05450	0.3
194.07269	0.3
195.08060	3.7
196.08629	0.2
197.05984	0.9
199.03847	0.1
201.05531	0.2
203.06970	0.3
205.06360	0.1
209.09647	0.4
211.07501	0.2
212.08411	0.7
213.05460	3.4
214.05850	0.1
221.06079	0.1
222.06670	0.1
223.07545	1.3
224.08212	0.2
227.07277	0.2
227.10683	4.0
229.05000	0.5
230.05679	0.1
231.06526	1.5
237.09253	0.1
240.07813	0.3
240.10135	0.2
241.04927	1.6
242.05598	0.2
242.11725	0.3
243.06477	0.2
245.04298	0.1
251.07164	0.2
255.10179	3.2
257.04495	0.1
258.05249	2.6
258.11337	0.1
259.06055	0.9
269.04465	0.4
269.08163	0.1
287.05484	100.0
288.05823	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74119	0.1
53.03940	0.2
55.01867	0.2
55.53583	0.1
65.03934	0.6
67.01868	0.4
68.99788	3.2
69.03427	0.3
69.47829	0.1
70.27842	0.4
71.01354	0.2
79.05498	0.6
81.03407	0.5
91.05473	0.3
95.04973	0.4
97.02912	0.1
103.05447	0.6
105.03379	0.9
105.06992	0.2
107.04948	1.5
109.02892	1.0
111.00799	1.8
111.04421	0.4
115.05473	0.3
116.62200	0.1
117.07015	0.3
119.04955	0.3
121.02866	7.8
121.03910	0.4
121.06447	0.2
122.03288	0.2
127.03922	0.2
128.06227	0.3
129.07007	0.4
131.04953	0.2
133.02859	1.1
133.06439	0.1
135.04419	0.5
137.02327	2.7
137.05962	0.3
138.44449	0.1
139.05463	0.2
141.06975	0.4
145.06502	0.6
147.04404	1.9
149.02373	0.3
153.01823	12.1
154.02132	0.4
155.06094	0.1
157.06493	1.7
161.06001	0.4
163.07532	0.1
165.01831	4.6
166.02573	0.1
166.92143	0.1
167.08560	0.3
169.06506	0.3
171.04346	1.0
173.05949	0.1
175.03885	0.2
179.03230	0.1
183.02899	2.1
184.05087	0.2
185.05952	1.5
189.05486	0.3
195.07964	0.1
197.05978	0.5
199.03850	0.2
201.05420	0.2
203.03355	0.3
203.07025	0.3
212.04572	0.2
213.05450	3.6
214.05867	0.1
216.04198	0.3
227.10541	0.2
229.04915	0.5
231.06514	1.5
241.04944	1.8
242.05609	0.2
243.06473	0.2
245.04352	0.2
258.05246	2.5
259.06027	1.2
268.00281	0.1
269.04456	0.5
287.05478	100.0
288.05814	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03947	0.3
55.01866	0.3
55.98744	0.1
62.01039	0.2
65.03937	0.2
67.01866	0.5
68.99432	0.3
68.99786	2.5
69.03426	0.2
69.46465	0.1
69.64909	0.5
69.65321	0.4
72.63197	0.2
73.72938	0.1
75.62046	0.2
79.05485	0.6
81.03427	0.5
83.21709	0.1
95.04947	0.3
101.10461	0.2
103.05445	0.3
105.03394	0.9
107.04941	1.1
109.02871	0.8
109.74346	0.2
111.00806	1.6
111.04450	0.3
115.05456	0.2
121.02867	6.8
121.03809	0.4
127.03901	0.3
129.06995	0.3
133.02853	0.8
135.04419	0.3
137.02344	2.3
141.06949	0.4
145.06496	0.6
147.04407	1.7
153.01823	11.5
157.06454	1.4
161.05963	0.6
165.01846	3.8
171.04431	0.8
173.05981	0.3
175.07571	0.2
183.02890	1.8
185.05936	1.3
189.05536	0.5
197.05995	0.2
203.07091	0.3
213.05478	3.2
216.04192	0.2
229.04936	0.5
231.06482	1.1
241.04956	1.4
242.05724	0.2
255.20038	0.2
258.05234	2.0
259.06027	1.1
269.04398	0.4
286.04681	0.3
287.05481	100.0
288.05841	4.0
290.33875	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Kaempferol
Peak:m/z	Relative Intensity
53.03949	0.2
54.12155	0.1
57.11745	0.2
65.03941	0.5
67.01862	0.3
68.99789	3.0
69.03412	0.3
69.21011	0.6
69.21425	0.5
79.05483	0.6
81.03414	0.5
84.33979	0.1
85.02916	0.1
90.09798	0.1
91.05467	0.2
94.04169	0.2
95.04971	0.3
98.23357	0.3
103.05466	0.3
105.03415	1.0
107.04248	0.2
107.04950	1.4
109.02878	0.9
111.00803	1.7
111.04458	0.5
115.05428	0.2
117.07008	0.2
121.02873	6.8
121.03931	0.4
127.03958	0.3
128.06229	0.3
129.07004	0.5
133.02844	1.1
133.06511	0.2
135.04422	0.4
137.02333	2.5
141.06970	0.5
145.02910	0.2
145.06477	0.6
147.04395	1.2
152.80530	0.1
153.01828	11.6
154.02177	0.3
157.06488	1.5
161.05980	0.3
165.01831	3.8
169.06465	0.3
171.04448	0.8
173.05826	0.2
183.02885	1.5
184.05208	0.3
185.05994	1.1
189.05449	0.4
197.05966	0.4
199.03951	0.2
203.06960	0.3
213.05461	3.3
214.05853	0.2
216.04239	0.2
229.04912	0.4
231.06485	1.2
241.04924	1.4
242.05568	0.2
258.05252	2.7
259.06030	1.0
269.04367	0.5
287.05490	100.0
288.05835	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30321	0.2
51.61348	0.2
57.02848	0.2
57.56683	0.2
65.03931	0.3
67.01867	0.4
68.99792	2.9
69.70456	1.0
79.05483	0.8
81.03418	0.5
90.07472	0.2
95.04985	0.3
103.05462	0.2
104.27840	0.2
105.03358	1.0
107.04958	1.1
109.02874	0.8
110.74232	0.2
111.00817	1.7
111.04409	0.3
115.05427	0.3
119.67998	0.2
121.02872	7.0
121.03857	0.4
122.03194	0.3
127.03902	0.2
128.06194	0.2
129.06987	0.3
133.02840	0.8
133.06546	0.2
135.04460	0.4
137.02350	2.3
141.06973	0.2
143.04988	0.2
145.06502	0.6
147.04376	1.6
151.03859	0.2
153.01831	12.6
154.02196	0.2
157.06512	1.2
161.06010	0.6
165.01839	4.3
168.05522	0.2
171.04416	0.8
183.02910	2.1
185.05983	1.5
189.05473	0.3
197.06085	0.2
201.05553	0.2
203.07109	0.3
213.05470	3.5
229.05023	0.5
231.06540	1.5
241.04930	1.5
242.05701	0.2
243.06645	0.3
258.05270	2.6
259.06018	0.9
269.04449	0.5
279.99731	0.2
287.05487	100.0
288.05838	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57054	0.1
53.03943	0.2
55.01869	0.2
56.96566	0.2
61.54687	0.1
65.03933	0.4
67.01863	0.4
68.99785	2.7
69.03424	0.2
69.15535	1.1
71.01348	0.2
79.05481	0.6
79.16412	0.1
81.03419	0.4
91.05480	0.3
95.04962	0.3
97.02869	0.2
100.97762	0.1
103.05449	0.3
105.03412	0.9
107.04955	1.3
109.02901	0.7
111.00809	1.7
111.04467	0.2
115.05431	0.3
119.04864	0.2
121.02869	6.5
121.03918	0.4
122.03202	0.2
127.03923	0.2
129.06982	0.4
133.02841	0.9
135.04408	0.4
137.02344	2.1
141.06963	0.4
145.06499	0.6
147.04385	1.4
149.02353	0.3
151.03922	0.2
153.01823	10.8
154.02112	0.2
157.06453	1.2
161.02356	0.2
161.06036	0.4
163.03949	0.2
165.01831	3.6
167.08543	0.2
169.06479	0.2
171.04410	0.8
171.70172	0.2
175.03906	0.2
183.02905	1.5
185.05960	1.1
189.05420	0.3
194.02122	0.2
195.08105	0.2
197.05986	0.3
203.03316	0.3
203.07051	0.4
213.05450	3.2
216.04256	0.3
217.04980	0.2
227.10649	0.3
229.04913	0.4
231.06529	1.2
241.04950	1.4
243.06479	0.2
258.05246	2.2
259.06113	0.8
263.05414	0.1
269.04437	0.5
287.05484	100.0
288.05820	5.1
288.09033	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
53.75264	0.1
65.03941	0.4
67.01860	0.3
68.55862	0.1
68.99439	0.2
68.99789	2.4
69.03424	0.2
73.71990	0.1
79.05495	0.6
81.03403	0.4
83.01316	0.1
91.05447	0.1
95.04969	0.3
97.02908	0.1
98.22621	0.2
103.05458	0.3
105.03410	0.8
105.07088	0.1
107.04951	1.4
109.02879	0.8
111.00809	1.6
111.04440	0.4
115.05444	0.3
117.07005	0.1
119.04945	0.2
121.02869	6.8
121.03928	0.4
121.06478	0.2
122.03194	0.1
127.03905	0.2
128.06259	0.2
129.07031	0.5
131.05019	0.2
133.02849	1.1
133.23141	0.1
135.04408	0.4
135.08046	0.2
137.02341	2.3
137.05965	0.2
139.05447	0.2
141.06960	0.3
145.02753	0.1
145.06450	0.6
147.04407	1.4
149.02315	0.1
149.05952	0.1
151.07535	0.1
152.06273	0.1
152.35190	0.1
153.01823	11.0
154.02176	0.3
155.06009	0.2
157.06493	1.4
160.05203	0.1
161.05954	0.4
163.03899	0.1
163.07578	0.2
165.01834	3.5
165.07054	0.1
166.02405	0.1
167.08586	0.5
169.06410	0.2
171.04375	0.9
173.06000	0.1
175.03923	0.1
181.01465	0.1
181.06467	0.1
183.02907	1.7
184.05208	0.1
185.06013	1.2
189.05481	0.3
195.08046	0.4
197.06015	0.4
199.03896	0.1
201.05479	0.1
203.03456	0.2
203.07048	0.4
213.05458	3.2
214.05894	0.1
216.04234	0.2
217.04985	0.2
223.07518	0.1
227.10655	0.4
229.04947	0.4
231.06503	1.4
241.04953	1.6
242.05655	0.2
243.06361	0.2
245.04501	0.1
255.10168	0.4
258.05240	2.2
259.06027	0.9
269.04413	0.4
287.05481	100.0
288.05820	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Kaempferol
Peak:m/z	Relative Intensity
53.03930	0.3
55.01849	0.2
65.03924	0.4
67.01855	0.5
68.99447	0.2
68.99790	2.6
69.03416	0.3
69.54216	0.7
79.05480	0.8
81.03401	0.4
81.07053	0.1
91.05463	0.4
93.03420	0.2
95.04952	0.3
97.02867	0.1
98.22652	0.1
103.05454	0.5
105.03382	0.9
105.04475	0.2
105.06997	0.2
107.04277	0.2
107.04955	1.6
109.02879	0.7
109.06538	0.2
111.00805	1.6
111.04434	0.5
115.05436	0.2
117.07044	0.2
119.04915	0.4
121.02870	7.2
121.03922	0.4
121.06494	0.5
124.07859	0.1
127.03895	0.2
128.06221	0.2
129.07010	0.3
131.04906	0.3
133.02843	1.1
134.03639	0.1
135.04401	0.5
135.08038	0.5
137.02347	2.5
137.05988	1.0
141.06973	0.4
143.04910	0.2
145.06508	0.7
147.04416	1.7
149.05954	0.7
151.07547	0.5
152.06223	0.6
153.01828	12.0
154.02130	0.3
157.06473	1.7
161.02405	0.1
161.05966	0.3
163.03891	0.1
163.07544	1.1
165.01836	3.8
165.06995	0.4
166.07771	0.3
167.08568	1.7
169.06500	0.3
171.03032	0.1
171.04410	0.7
175.03909	0.3
175.07620	0.2
177.07021	0.2
177.08986	0.2
183.02866	1.5
184.08896	0.2
185.05980	1.1
189.05449	0.3
194.07259	0.2
195.08049	2.5
197.05959	0.6
199.03853	0.2
203.03377	0.2
203.07011	0.2
209.09612	0.3
211.07507	0.2
212.08362	0.3
213.05469	3.4
214.06000	0.2
214.08495	0.1
216.04257	0.2
223.07550	0.7
227.07144	0.1
227.10672	2.1
228.10925	0.1
229.04903	0.6
231.06548	1.2
241.04906	1.6
242.05519	0.2
243.06458	0.2
255.10213	1.6
258.05231	2.5
259.05981	0.9
269.04352	0.5
286.04312	0.1
286.49823	0.1
287.05484	100.0
288.05804	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.53720	0.1
53.03937	0.3
55.01865	0.2
65.03934	0.4
67.01862	0.4
68.99434	0.2
68.99787	2.3
69.03413	0.3
71.01339	0.2
71.34367	0.1
74.10128	0.1
79.05491	0.7
81.03419	0.3
81.07059	0.1
85.02894	0.2
86.02763	0.1
91.05473	0.2
94.14075	0.1
95.04978	0.2
95.08543	0.1
103.05463	0.4
105.03392	0.9
105.07037	0.1
107.04956	1.4
109.02872	0.9
111.00800	1.8
111.04451	0.3
115.05393	0.2
119.04923	0.2
121.02864	7.0
121.03897	0.3
121.06466	0.3
122.03188	0.2
123.00819	0.1
123.04350	0.1
127.03910	0.3
128.06180	0.1
129.06993	0.3
131.04927	0.2
133.02837	1.0
135.04413	0.4
135.08008	0.1
137.02338	2.2
137.05943	0.3
140.63753	0.1
141.06978	0.2
145.06488	0.5
147.04402	1.6
149.05954	0.1
151.03912	0.2
151.07466	0.1
152.06236	0.2
153.01823	11.3
154.02142	0.2
157.06483	1.4
160.05159	0.1
161.05934	0.5
163.03911	0.1
163.07549	0.3
165.01831	3.6
165.07118	0.1
166.07800	0.2
167.08551	0.3
169.06480	0.3
171.03061	0.2
171.04358	0.7
175.03909	0.2
175.07515	0.1
183.02895	1.6
184.05153	0.1
185.05983	1.3
189.05481	0.4
195.08035	0.5
197.05942	0.4
198.06665	0.1
199.03871	0.2
201.05403	0.2
203.03386	0.3
203.07123	0.3
212.08261	0.2
213.05460	3.1
214.05812	0.1
216.04169	0.1
217.05006	0.1
223.07599	0.3
227.10622	0.6
229.04979	0.4
231.06531	1.2
241.04907	1.4
241.12053	0.1
242.05266	0.1
243.06573	0.3
245.04491	0.2
255.10153	0.4
258.05222	2.3
259.05954	0.9
269.04434	0.4
287.05478	100.0
288.05829	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Kaempferol
Peak:m/z	Relative Intensity
53.03943	0.3
55.01862	0.3
56.02283	0.1
65.03941	0.4
67.00839	0.1
67.01859	0.6
68.99792	3.1
69.03420	0.4
69.22916	0.3
69.23324	0.7
72.56845	0.1
79.05498	0.9
81.03419	0.5
81.07072	0.2
82.15921	0.1
91.05481	0.4
93.03400	0.1
95.04953	0.5
103.05481	0.7
105.03399	1.3
105.07037	0.4
107.04948	1.6
109.02890	1.0
109.06516	0.2
111.00798	2.0
111.04448	0.5
115.05425	0.3
117.07005	0.2
119.04928	0.2
121.02871	8.5
121.03828	0.3
121.06494	0.5
127.03906	0.4
128.06206	0.3
129.07004	0.6
131.04929	0.4
133.02852	1.1
133.06439	0.1
134.03619	0.1
135.04404	0.6
135.08054	0.6
137.02345	2.7
137.05984	1.3
139.01479	0.2
141.06996	0.4
143.04892	0.3
145.06509	0.9
147.04410	1.9
149.02350	0.2
149.05948	0.8
151.07564	0.6
152.06203	0.5
153.01830	13.5
154.02217	0.3
155.06007	0.2
157.06482	1.8
161.06015	0.4
163.03958	0.2
163.07526	0.9
165.01830	4.1
165.07004	0.2
166.02544	0.2
166.07770	0.4
167.08565	1.9
169.06494	0.5
171.03032	0.2
171.04417	0.7
173.05891	0.2
175.04010	0.2
175.07552	0.3
177.06935	0.3
181.06511	0.2
183.02881	2.0
183.08009	0.2
184.05180	0.2
185.05968	1.3
189.05455	0.4
194.07259	0.2
195.08064	2.3
197.05991	0.7
203.03404	0.2
203.07065	0.5
209.09668	0.2
212.04729	0.2
212.08475	0.2
213.05467	3.9
214.05904	0.2
216.04060	0.2
217.04973	0.2
223.07524	0.5
227.10677	2.4
229.04984	0.5
231.06540	1.3
237.09135	0.2
240.07915	0.2
241.04951	1.9
242.05524	0.2
243.06409	0.3
255.10147	1.6
258.05264	2.6
259.06033	1.2
269.04477	0.4
287.05487	100.0
288.05826	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0913
Annotation	4,6-Dimethoxy,2,3,7-trihydroxyphenanthrene
Peak:m/z	Relative Intensity
55.05505	0.5
57.07068	0.9
67.05499	0.3
68.99779	0.7
69.03409	0.3
69.07047	0.5
70.06565	0.3
71.08612	0.5
71.10597	0.2
72.08150	2.5
75.04469	2.1
79.05502	0.4
81.07047	1.0
90.09204	2.2
91.05459	0.5
92.73542	0.3
93.07053	0.6
95.08593	0.8
101.44965	0.2
101.49607	0.2
105.07033	0.7
107.08595	0.7
109.10162	0.4
115.05482	0.7
117.06973	0.3
119.08562	0.6
121.02882	0.4
121.10138	0.7
128.06233	1.2
129.06978	0.8
131.08588	0.4
135.11632	0.3
139.05415	0.6
139.52730	0.2
141.06970	1.3
143.04893	0.8
143.08543	0.5
144.05721	0.4
145.06473	1.0
145.10164	0.5
147.11668	0.4
151.11076	0.3
153.01843	0.5
153.06992	0.4
154.04103	0.3
155.04893	2.1
155.06015	0.4
156.05724	1.0
157.06500	1.6
157.10172	0.4
158.07266	0.9
159.08057	1.2
159.11679	0.5
161.13152	0.4
167.05046	0.3
168.05692	1.1
169.06479	2.4
170.07179	0.5
171.04399	4.5
171.08092	1.5
171.09312	0.3
172.05130	0.6
173.04546	0.5
173.05969	5.4
173.09766	0.4
181.06447	0.3
182.03621	0.7
183.02885	0.3
183.04381	4.5
183.07959	0.5
184.05186	4.1
185.05954	8.4
186.06749	2.6
187.07518	0.5
188.08305	0.5
196.05208	0.3
197.06004	2.7
198.06764	2.1
199.03891	7.5
199.07533	6.8
200.04544	0.9
200.08301	5.7
201.05453	20.2
201.09061	1.9
202.05840	1.1
207.71797	0.2
210.03052	0.6
211.03893	2.0
212.04657	5.3
213.05447	26.4
214.06216	13.3
215.03549	0.6
215.06996	9.8
216.07671	1.7
225.05441	3.4
226.06201	3.5
227.03468	3.3
227.06979	6.4
228.04121	1.7
228.07672	1.0
229.04956	13.3
229.08522	8.5
230.05394	0.6
230.09288	1.8
231.10133	4.0
239.07047	0.3
240.04141	6.3
241.04930	40.1
242.05652	11.8
243.06441	3.4
244.07271	3.7
255.06516	19.1
256.07278	49.4
257.04434	8.8
257.08026	19.2
258.05295	0.5
258.08444	1.0
259.09641	1.1
269.22733	0.5
270.09045	0.3
271.05923	0.6
272.06766	12.2
273.07178	0.7
286.31030	9.3
287.05704	6.8
287.09100	100.0
287.23697	0.7
287.31326	4.6
288.09506	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13060	0.4
56.97972	0.4
57.49044	0.4
66.19554	0.4
69.75616	1.7
70.99863	0.6
96.48711	0.5
101.00887	4.6
116.85443	0.5
119.01934	4.6
121.54631	0.4
126.05508	1.3
127.78345	0.4
131.01921	1.1
143.01901	11.2
155.01834	0.6
161.02966	13.4
173.02921	0.6
197.02956	0.6
203.04018	1.7
221.04962	1.0
222.01910	0.6
254.92882	0.5
258.07693	2.1
263.03040	1.0
264.03104	3.0
265.02747	0.6
287.11020	100.0
288.11417	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.7
55.11507	0.6
63.00049	0.5
68.99790	4.5
70.06582	1.9
71.29018	0.6
72.08148	1.0
85.02913	0.6
85.04280	0.4
86.09705	0.7
88.87537	0.5
91.05489	0.9
95.04965	0.8
97.02901	0.5
98.67677	0.5
98.98473	0.6
105.07059	0.6
109.02860	0.7
111.00823	3.1
112.08733	0.5
115.05460	0.7
116.07109	0.5
119.04932	1.0
120.08077	0.5
121.02870	0.9
123.04418	0.8
125.07022	0.5
126.05508	0.9
128.06255	0.7
129.07034	0.6
131.04916	0.7
133.02841	0.6
135.04372	0.7
135.08064	0.6
137.02338	0.7
137.05975	0.7
145.06474	0.6
147.04446	4.0
149.02330	1.8
149.05910	0.5
150.03148	0.8
151.03864	1.2
157.06456	1.1
161.05960	1.2
163.02225	0.4
163.03912	1.5
167.03526	0.5
171.04446	2.0
173.05948	1.0
175.03912	7.1
177.05507	2.3
179.03333	0.5
185.05928	2.7
189.05424	1.8
191.07042	0.9
193.04993	3.1
197.05931	0.9
199.03947	3.2
201.05446	1.4
203.03401	7.0
212.04681	1.1
213.05458	4.2
214.05879	0.6
215.09583	0.6
217.04889	2.9
219.06546	1.1
231.06474	2.4
232.96483	0.6
241.04924	3.2
245.04419	6.8
246.04941	0.6
258.05182	0.6
259.06003	3.2
263.02472	0.6
264.02997	1.1
269.04437	2.6
270.04565	0.6
287.05704	36.3
287.10999	100.0
288.05881	1.3
288.11353	3.2
288.20209	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.112
Annotation	Isohomoarbutin
Peak:m/z	Relative Intensity
53.90184	0.8
55.01863	1.4
57.02619	0.8
57.03437	7.1
61.02933	5.4
65.03939	5.6
68.99792	1.5
69.03418	0.9
70.06596	1.0
75.04482	5.6
79.05503	12.0
85.02882	1.2
91.05482	2.9
93.03404	7.6
93.07059	1.6
95.04977	2.6
96.06906	1.1
98.98457	1.5
100.58902	0.8
103.05471	0.8
105.03397	1.2
107.04962	18.1
108.02118	1.7
109.02899	1.3
109.06477	0.9
110.03667	16.1
111.00787	0.8
111.04456	10.2
115.05433	1.0
117.03399	1.4
119.04927	1.4
121.02888	1.0
121.06525	9.2
122.03667	2.7
123.04427	3.4
125.06007	60.4
126.05474	0.8
133.02852	9.7
135.04424	18.8
137.05983	4.6
141.05481	0.9
147.04391	1.6
149.02348	2.6
149.05995	13.5
150.03120	6.5
151.03926	51.5
151.05019	4.7
152.04507	2.0
153.05505	6.8
162.03143	2.9
163.03905	7.4
163.07562	2.3
165.05496	17.1
167.07063	13.8
171.04480	0.9
171.07666	2.3
175.03998	1.4
177.05476	22.0
179.03322	0.8
179.06894	0.8
180.04213	5.1
181.08650	1.2
185.05894	1.4
193.05032	1.4
195.06511	11.2
199.03908	1.2
199.09656	3.5
203.03389	1.3
213.05528	1.9
213.07594	6.6
225.07646	6.7
228.83647	0.7
231.06528	2.0
239.09138	1.2
241.04822	1.4
245.04526	2.0
259.06042	3.4
269.04385	1.3
269.10178	2.8
269.14865	1.3
287.05521	11.8
287.11029	100.0
287.16199	3.0
288.11420	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1277
Annotation	3'-Hydroxy-3,4,5'-trimethoxystilbene
Peak:m/z	Relative Intensity
50.89594	0.4
53.03945	0.7
55.01862	1.3
55.05497	0.6
57.24104	0.5
64.46429	0.4
65.03955	0.8
67.05505	0.8
68.99779	3.4
69.03425	1.0
69.77124	0.4
71.05004	0.6
71.31071	0.5
76.36495	0.4
76.72056	0.4
79.05479	3.2
81.03409	1.0
81.07047	1.5
83.04975	1.0
91.05481	4.9
93.07060	0.9
94.04189	0.9
95.04964	2.5
95.08605	0.7
97.06504	0.4
103.05457	5.1
105.03397	1.1
105.07034	4.1
107.04941	4.9
107.08566	0.5
109.02882	1.1
109.06512	3.6
111.00795	1.8
111.04452	2.1
115.05444	1.7
117.07037	1.1
118.60108	0.5
119.04942	1.3
120.05706	0.5
121.02873	8.0
121.03838	0.7
121.06509	8.1
122.03674	1.5
123.04443	1.8
123.08057	0.6
124.05184	0.5
125.05997	0.7
128.06212	0.8
129.07005	1.2
131.04929	5.0
133.02859	1.3
133.06477	0.9
134.03622	0.6
134.07304	0.5
135.04398	2.2
135.08051	10.9
136.05197	1.0
137.02357	2.9
137.05978	18.8
139.07480	0.6
141.06989	1.2
143.04932	1.3
143.08528	0.8
145.06476	1.9
146.03532	0.4
147.04436	3.9
147.05502	0.6
148.05211	1.5
149.02344	7.3
149.05980	13.6
151.03867	0.5
151.07530	11.1
152.06198	9.3
153.01826	12.0
153.07053	0.5
157.06464	3.4
159.08055	0.4
161.05969	2.6
162.05489	0.7
162.06711	0.8
163.03909	1.9
163.07542	20.3
163.08907	1.1
164.08148	0.8
165.01837	3.2
165.07002	6.8
165.09061	2.3
166.07785	7.7
167.07054	3.1
167.08546	30.7
168.08926	1.8
169.06451	3.3
169.10150	0.6
171.04422	1.2
172.76817	0.5
174.06808	1.3
175.03941	1.1
175.07547	1.5
176.06177	0.6
177.05435	1.2
177.07024	3.1
177.09079	1.8
179.07030	0.6
179.08513	0.8
180.05753	0.4
181.06467	2.1
181.10123	1.6
183.02910	1.6
183.08055	1.7
184.08832	3.4
185.05960	2.8
187.07574	1.2
189.09126	1.0
193.04889	0.6
193.08627	0.8
194.07259	4.3
195.08054	44.6
196.08728	2.8
197.05977	9.2
199.03886	0.8
199.11215	1.5
201.09039	0.7
203.03389	1.1
203.07132	0.7
205.06500	0.7
209.09656	4.3
211.07542	2.9
212.08311	8.3
213.05505	5.0
213.09035	1.6
213.11064	0.9
217.04987	0.8
221.05978	0.6
222.06685	0.8
223.07555	15.1
224.08080	1.5
225.05510	2.0
225.09087	0.5
227.10667	44.7
228.11035	3.1
229.08574	0.7
231.06509	5.4
237.09105	2.3
240.07791	3.4
241.04993	1.9
241.08534	0.8
241.12245	1.2
245.04253	0.8
255.10152	35.0
256.10672	2.5
258.05289	2.2
259.05981	5.4
259.13327	1.1
260.06595	0.5
269.04391	1.0
269.11722	1.6
272.10355	1.2
287.05499	100.0
287.12665	24.9
288.05838	6.7
288.13184	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36872	0.7
52.93172	0.8
55.01874	1.1
57.03438	1.9
69.62505	0.8
69.71407	3.8
78.04707	1.2
79.05495	6.0
81.03395	1.1
90.83538	0.7
91.05476	3.3
95.04956	1.9
103.05465	6.3
105.07020	5.9
107.04956	50.4
108.05294	1.2
109.06535	0.8
115.05443	2.8
117.07005	1.4
118.04148	0.7
120.05714	2.4
121.06501	1.0
123.04435	4.0
124.05219	2.5
130.77989	0.7
131.04930	2.9
133.06535	1.5
135.04362	0.9
135.08052	15.1
137.05972	2.6
145.07622	1.4
147.04413	1.5
149.02364	3.7
149.06024	1.8
151.03915	1.9
152.04610	1.1
154.06227	1.5
163.07547	40.0
165.05484	1.2
165.09131	1.2
167.07047	100.0
168.07379	3.6
180.07817	3.3
181.08521	2.2
182.02142	0.7
193.08568	3.8
195.08263	1.2
195.10173	31.0
196.10500	1.9
211.09624	5.5
213.05484	1.3
213.09207	1.6
213.11223	24.7
214.11560	1.2
227.10686	1.9
231.06583	2.6
255.10181	1.3
259.06113	1.3
287.05533	4.8
287.12662	1.1
292.53876	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.237
Annotation	9-cis-Retinol
Peak:m/z	Relative Intensity
51.18944	1.6
53.03935	3.1
55.01870	3.3
55.05517	11.3
57.07063	4.3
64.83554	1.3
65.03919	2.7
67.05505	24.5
69.03410	1.7
69.07075	20.3
69.10830	13.5
79.05495	28.2
81.03402	2.0
81.07060	100.0
81.13058	1.5
82.07381	2.0
83.04975	5.2
83.08635	11.5
85.06528	1.7
86.87118	1.5
91.05476	15.6
93.07047	40.3
95.04985	7.1
95.08609	67.7
97.06519	3.4
97.10162	3.6
105.07036	29.9
107.08592	36.3
109.06532	11.4
109.10164	24.4
111.08062	6.7
117.07008	5.9
119.08572	21.7
121.02862	4.0
121.06525	3.3
121.10146	29.4
123.08061	10.8
123.11688	8.4
125.09595	1.9
129.06960	3.2
131.08562	15.7
133.10143	18.2
135.08044	4.4
135.11682	16.6
137.09595	8.2
137.13254	3.4
143.08517	5.6
145.10141	17.2
147.08054	1.6
147.11687	17.4
149.09599	4.2
149.13272	9.7
151.11182	2.1
153.01810	3.9
157.10115	6.5
159.11685	11.9
161.13264	11.5
163.11151	1.7
163.14801	4.6
165.01822	2.1
171.11691	7.3
173.13268	8.9
175.11229	3.3
175.14833	8.2
177.12740	4.3
177.16386	22.7
178.16806	1.7
179.14261	2.6
185.13298	5.9
187.14731	9.9
189.12697	2.5
189.16373	5.9
191.14276	2.0
199.14856	10.0
201.16376	7.9
203.14333	2.5
203.18001	2.1
205.15866	8.6
213.05508	1.8
213.16385	12.8
215.17868	2.1
217.15883	3.0
219.17361	2.1
227.17871	4.4
229.10173	2.1
229.19560	7.2
231.17500	4.2
241.19670	2.9
257.13016	2.3
269.22644	24.4
287.05505	56.4
287.14148	3.8
287.23682	86.2
288.05780	4.8
288.24054	4.9
288.28949	3.4
294.01630	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2369
Annotation	9-cis retinol
Peak:m/z	Relative Intensity
51.36670	2.4
53.03942	3.2
55.05511	22.7
57.03106	2.0
57.07075	6.5
57.40047	2.1
67.05507	31.3
69.03420	3.7
69.06487	16.7
69.07072	37.8
71.04980	5.4
79.05489	29.8
81.07057	66.3
83.04961	6.8
83.08616	12.9
91.05478	24.4
93.07044	52.0
95.04986	5.1
95.08608	65.4
97.06532	58.6
97.10166	5.6
103.05449	2.4
105.07027	56.7
106.98123	2.3
107.08598	65.2
109.06522	8.1
109.10161	38.6
111.08076	4.9
111.11724	4.6
116.29253	2.6
117.07004	7.3
119.08583	58.4
120.08804	2.6
121.06503	2.3
121.10142	46.5
123.08096	3.6
123.11696	21.8
125.09620	2.3
129.07019	4.3
131.08557	20.0
133.10121	32.4
135.08096	2.7
135.11690	48.8
137.09586	4.1
137.13211	9.0
142.07819	5.3
143.08580	12.6
145.10115	34.2
147.11691	32.7
149.13249	17.4
151.11224	3.0
157.10129	19.1
159.11702	33.0
161.09592	3.0
161.13275	22.7
163.11180	4.0
163.14799	5.5
165.12796	2.5
169.10136	3.6
169.76187	2.3
171.11711	18.2
173.13264	17.9
175.00696	2.3
175.14851	18.9
177.12746	3.6
177.16411	5.0
185.13254	13.2
187.14796	13.3
189.16328	13.4
191.14279	3.2
191.17947	29.7
199.14789	11.8
201.16350	18.6
203.14417	3.1
203.17934	18.3
205.15903	2.5
213.16377	14.7
217.15884	4.3
227.17924	11.7
227.76352	2.2
229.19524	3.9
231.17291	4.2
241.19440	3.9
243.21112	10.6
245.19098	2.9
259.24219	6.1
269.22641	61.4
287.05469	9.6
287.23685	100.0
288.23904	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2368
Annotation	9-cis-Retinol
Peak:m/z	Relative Intensity
53.03946	3.5
55.05511	16.5
57.07076	4.7
59.04990	2.3
60.56462	1.9
65.03931	3.7
66.20897	1.6
67.05506	41.5
68.21691	1.7
69.03420	2.3
69.05345	16.3
69.07063	30.7
71.04979	5.5
79.05496	29.8
81.03411	2.3
81.07059	79.1
83.04953	2.2
83.08607	7.8
85.07928	2.1
91.05481	17.9
93.07045	61.9
95.04948	6.1
95.08607	49.2
97.06525	27.4
97.10171	4.2
98.23064	7.9
105.07027	45.8
107.08595	64.1
109.06496	4.4
109.09454	3.4
109.10153	56.7
111.08049	2.4
111.11700	5.2
117.06987	7.6
119.08577	51.2
121.02908	2.3
121.06486	4.3
121.10136	38.0
123.08015	2.5
123.11698	12.4
125.09585	3.2
129.06961	4.5
130.07712	2.4
131.08571	15.1
133.10120	28.7
135.08040	3.8
135.11691	93.4
137.09599	14.8
137.13219	3.2
142.07774	3.1
143.08575	10.2
145.10124	29.6
147.08070	2.0
147.11700	23.5
149.13272	11.0
151.14803	1.9
156.09351	2.1
157.10138	12.9
159.11684	27.1
161.09666	3.3
161.13255	16.4
163.11162	2.7
163.14809	6.2
165.12735	2.4
169.10138	1.9
171.11705	12.3
173.13269	15.2
175.11110	3.0
175.14799	13.0
177.12717	3.1
177.16356	6.8
185.13185	11.3
187.14862	11.2
188.15390	2.0
189.16376	4.0
191.17894	8.3
193.15924	4.9
195.17422	2.3
199.14813	9.0
201.16365	10.2
203.17958	8.6
205.15866	2.4
213.16341	11.5
227.17868	7.9
229.10123	2.3
229.19438	4.4
231.17415	2.3
241.19537	2.0
242.10902	2.3
243.21053	4.2
244.12297	3.1
245.13281	3.6
257.13211	3.1
259.24146	2.7
269.22635	44.5
272.15671	3.8
287.05533	23.7
287.08743	4.0
287.14203	7.1
287.17810	12.7
287.20309	7.8
287.23642	100.0
288.05850	2.8
288.23920	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2368
Annotation	Helicallen-16-al
Peak:m/z	Relative Intensity
50.89349	1.0
51.40138	1.0
53.03940	3.2
55.05514	11.6
57.03418	1.3
57.07064	3.3
59.04970	1.3
64.14165	1.0
67.05177	1.6
67.05505	23.5
69.03425	11.5
69.07068	16.7
71.04988	3.8
71.08632	2.4
71.31508	1.5
79.05493	19.8
81.07056	57.0
83.04976	2.2
83.08618	9.5
85.06534	3.6
88.16634	1.2
90.38150	1.3
91.05477	13.6
93.06466	2.4
93.07043	41.1
93.07625	2.8
94.07331	1.3
95.04959	2.9
95.08607	54.2
96.08944	1.5
97.06525	11.4
97.10151	5.1
99.08086	2.3
103.05450	1.2
105.04557	1.3
105.07028	45.6
107.08595	48.3
108.08918	1.9
109.06524	7.3
109.10158	44.2
110.10469	1.4
111.08073	4.0
113.09634	1.1
117.06997	5.2
119.08582	50.3
119.91756	1.0
120.08857	2.1
121.06512	2.3
121.10140	40.8
122.10375	1.0
123.08064	6.8
123.11714	17.3
125.09632	10.6
127.11181	2.4
129.06999	1.7
131.08557	14.1
133.10133	33.1
135.08002	3.3
135.11676	18.6
137.09651	5.5
137.10553	1.3
137.13268	3.9
139.11169	2.6
142.07742	2.4
143.08578	8.0
144.09242	1.2
145.10129	21.4
147.11674	31.9
149.09608	3.2
149.13263	21.2
151.11186	4.8
153.06758	1.3
156.09323	2.8
157.10138	13.3
159.11691	29.2
160.12274	1.3
161.09633	2.5
161.13258	22.3
163.11205	3.6
163.14810	11.9
165.12756	6.8
170.10840	1.2
171.11667	11.2
173.13266	18.9
175.11131	2.9
175.14801	13.6
177.06654	1.6
177.12773	2.7
177.16400	7.3
179.14285	3.0
183.11681	1.7
185.13274	9.1
186.13837	1.4
187.14830	10.3
189.12703	2.1
189.16379	9.3
191.14337	2.8
191.17906	3.0
193.15814	1.9
199.14784	12.1
201.16370	14.5
203.14287	1.3
203.17961	27.0
205.15918	1.6
213.16399	17.3
215.17909	4.7
217.15901	3.3
217.19644	1.1
227.06992	2.3
227.17969	6.7
229.04860	1.8
229.19507	13.0
231.17352	3.4
241.19437	2.6
251.18036	1.2
259.24301	2.7
269.19708	2.4
269.22644	43.9
270.23001	2.8
287.05453	10.6
287.08499	1.9
287.20480	4.7
287.23666	100.0
288.24066	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2369
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
53.03933	4.7
55.05505	12.7
57.07076	7.5
67.05521	22.4
69.07071	26.8
69.11140	6.5
69.11545	21.1
79.05491	20.2
81.07058	73.2
83.05013	3.7
83.08620	10.8
89.58362	3.0
91.05482	19.1
93.07044	46.3
95.04932	5.3
95.08613	49.1
97.06524	19.7
103.05447	8.9
105.07023	36.0
107.04910	3.9
107.08604	46.1
109.06530	8.0
109.10159	27.9
111.08083	5.5
111.11697	5.0
117.07001	7.2
119.08583	39.0
121.10145	34.8
123.11696	17.6
128.70776	3.4
131.04944	4.9
131.08563	16.6
133.06505	4.7
133.10124	28.1
135.08031	6.2
135.11703	30.4
137.13245	3.7
143.08543	11.1
145.10106	20.6
147.08197	3.0
147.11707	23.3
149.09636	5.2
149.13275	11.6
151.11223	9.4
157.10123	10.2
159.11691	20.4
161.09503	3.4
161.13274	13.4
163.11101	3.1
163.14835	6.3
165.12889	3.1
166.78543	3.4
171.11722	8.6
173.13290	10.2
175.11217	3.8
175.14806	11.1
177.06734	4.8
177.16373	17.5
185.13264	9.5
187.14774	11.2
189.16469	5.8
191.14320	3.7
191.17984	6.4
193.15912	5.5
199.14835	9.8
201.16396	14.1
203.17920	7.7
205.15895	4.3
207.52606	4.0
213.16359	12.8
227.07028	6.5
227.17918	7.5
228.07645	3.6
229.19458	5.7
243.21043	4.4
255.06569	3.3
259.24146	4.3
269.22626	31.2
287.05560	12.3
287.09052	10.6
287.12766	4.0
287.20392	7.5
287.23685	100.0
287.31439	5.6
288.24124	8.8
288.28976	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2369
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
53.03946	3.5
54.13123	2.3
55.05507	18.5
56.16846	3.0
56.49900	2.4
57.07066	9.3
63.48798	2.5
67.05500	27.4
69.03411	3.0
69.07066	32.5
70.44388	5.5
71.04977	7.1
72.12029	2.6
72.41624	2.4
79.05503	24.2
81.06590	3.6
81.07059	65.6
83.04974	6.3
83.08617	13.0
85.06536	3.8
91.05466	23.7
93.07045	49.1
95.04953	7.9
95.08051	3.8
95.08607	52.9
97.06537	35.2
97.10166	5.9
103.05479	17.2
105.07040	52.7
107.08582	54.6
109.06512	5.7
109.10162	44.1
117.06973	5.1
119.08580	40.4
121.06522	2.9
121.10139	33.0
123.08089	5.1
123.11705	19.9
125.09646	4.4
129.07005	3.8
131.04918	10.1
131.08575	17.9
133.10135	29.8
135.08029	4.7
135.11688	38.9
137.05959	4.5
137.09593	4.7
137.13232	5.2
139.11224	3.6
142.48344	2.8
143.08549	9.2
145.10120	24.6
147.11699	25.1
148.05205	3.8
148.11960	2.7
149.13283	15.8
157.10132	18.4
158.10826	3.1
159.11705	22.6
161.13245	17.2
163.07492	6.0
163.11267	4.2
163.14798	6.0
171.11668	14.6
173.13260	13.1
174.99780	2.5
175.11200	3.1
175.14758	10.5
177.06786	3.3
177.12761	3.6
177.16345	8.5
185.13251	12.4
187.14798	11.8
189.16353	9.4
191.14136	3.3
191.17953	12.9
199.07484	4.1
199.14847	10.1
201.16376	12.4
203.17996	16.4
211.14754	3.8
213.16351	16.0
219.17410	3.0
227.17870	6.2
229.05014	2.8
229.19539	6.5
230.24832	21.2
231.17445	5.0
243.21091	6.4
245.19031	2.7
259.24216	6.6
269.22629	45.2
287.05533	11.6
287.09256	3.4
287.12820	11.0
287.20181	9.7
287.23663	100.0
287.31387	16.3
288.24030	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.237
Annotation	Retinol
Peak:m/z	Relative Intensity
53.03942	1.8
55.01887	1.3
55.05513	8.3
57.07075	2.4
59.04988	2.5
62.30755	1.0
67.05509	21.1
69.03410	1.2
69.07069	16.1
71.04994	1.4
71.32410	2.2
79.05487	13.2
81.07056	36.9
83.04961	2.1
83.08616	4.4
85.06548	3.2
91.05498	9.1
93.07034	26.6
95.04961	3.3
95.08607	26.0
97.06535	4.2
97.10159	1.5
98.66815	1.0
98.71859	1.2
99.08045	1.1
101.31781	1.0
103.05469	5.5
105.07026	22.1
106.15433	1.1
107.08593	29.2
109.06527	4.3
109.10156	31.2
111.08108	3.3
111.11735	1.9
113.05965	1.1
117.07025	4.9
119.08582	21.0
121.06503	1.5
121.10145	19.4
123.08081	12.7
123.11718	13.9
125.09602	2.3
129.06993	1.6
130.07806	1.1
131.04922	3.1
131.08575	8.8
131.31622	1.2
133.10135	14.1
135.08051	2.8
135.11697	18.1
137.05949	2.1
137.09634	7.1
137.13213	3.0
139.11169	4.5
143.08530	7.7
145.10135	12.0
147.08110	1.5
147.11679	15.5
148.05161	1.8
149.09656	2.4
149.13232	8.8
151.11124	2.7
157.10138	7.8
159.08089	1.8
159.11700	14.6
161.13284	12.7
163.07471	2.5
163.11195	3.4
163.14812	3.6
165.12766	15.3
171.11685	6.4
173.13261	9.3
173.60985	0.9
175.14819	4.8
177.12718	3.7
177.16368	2.5
179.14368	2.0
185.13225	4.9
187.14835	6.2
189.16379	4.4
191.14282	3.8
199.07565	1.6
199.14819	9.1
201.16339	3.5
205.15874	2.7
213.16389	7.9
215.17976	1.2
217.15945	2.4
227.17952	4.5
229.19585	7.1
231.17473	2.9
241.19421	2.7
245.18976	1.3
255.06317	1.4
269.22656	26.0
287.05545	6.4
287.09210	2.6
287.12778	4.8
287.20526	3.2
287.23685	100.0
288.23920	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2368
Annotation	Retinol
Peak:m/z	Relative Intensity
53.03944	1.4
55.01854	0.8
55.05513	13.5
57.03447	1.1
57.07073	1.8
59.05009	0.7
65.03940	1.7
67.05504	19.5
68.99794	2.1
69.03406	1.7
69.06726	1.1
69.07069	15.2
71.04987	2.6
71.06194	1.9
78.94190	0.8
79.05065	1.1
79.05495	15.8
81.03412	0.8
81.07056	51.7
82.07385	0.9
83.04972	2.4
83.08619	5.9
85.06544	1.1
90.03490	0.7
91.05478	17.6
91.06013	1.5
93.07045	40.4
94.07355	1.2
95.04971	3.5
95.08605	41.0
97.06516	4.4
97.10175	5.8
99.08073	1.5
103.05464	2.7
105.04518	0.8
105.07032	48.5
106.07369	1.2
107.04936	1.5
107.08592	43.7
108.08942	1.9
109.06523	3.6
109.10152	25.5
109.10902	1.4
109.82730	0.7
111.00792	1.1
111.08079	4.1
111.11700	1.5
117.07012	4.7
119.08585	37.9
119.09439	1.9
121.02875	7.9
121.06507	1.9
121.10142	23.0
123.08057	1.2
123.11700	10.7
125.09645	7.0
127.11164	0.8
128.06212	1.0
129.07011	2.2
131.08571	13.3
133.10127	30.1
135.08054	1.9
135.11690	18.4
137.02354	2.2
137.09573	2.9
137.13231	1.6
138.04002	0.9
139.11131	2.6
142.07770	0.9
143.08511	3.8
144.09364	2.1
145.10118	16.8
147.04390	1.0
147.11688	43.3
149.09662	2.0
149.13254	15.7
151.07527	0.9
151.11172	2.7
153.01826	9.9
157.06488	1.6
157.10143	6.5
158.10876	1.4
159.11697	21.8
161.13263	19.0
163.11179	3.1
163.14801	6.5
165.01814	3.9
165.12776	2.9
169.10136	1.0
170.22000	0.8
171.04256	0.8
171.11671	5.5
173.13287	12.1
175.11235	1.0
175.14850	7.5
177.12703	4.4
177.16374	4.0
183.02934	1.4
185.05963	1.5
185.13190	3.6
187.14836	7.4
189.16370	19.8
191.14265	2.9
193.15874	1.9
199.14833	6.4
201.16371	2.8
203.17905	2.4
205.15886	2.3
207.17453	0.8
213.05513	2.9
213.16409	10.3
215.18007	1.1
217.15880	1.1
227.17924	4.0
229.19498	5.3
231.06468	1.2
231.17477	1.6
241.04930	1.8
241.19391	1.1
243.21074	1.4
258.05240	1.8
259.06088	1.0
259.24179	0.9
269.19702	1.4
269.22635	25.1
270.22980	2.1
287.05487	100.0
287.20502	2.0
287.23672	62.5
288.05875	6.9
288.24060	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2368
Annotation	9-cis-Retinol
Peak:m/z	Relative Intensity
50.53870	1.4
50.82124	1.6
51.02375	2.2
53.03936	4.8
55.05510	19.1
57.07067	5.5
59.04987	6.5
59.90060	1.8
62.59498	1.7
65.03924	3.2
67.05499	22.1
69.03410	2.3
69.07066	100.0
71.04977	4.8
71.08624	1.8
72.08141	5.4
73.08487	1.9
79.05497	23.2
81.07053	64.0
82.07352	1.5
83.04967	5.3
83.08604	9.2
85.06506	4.0
85.64364	1.5
90.09204	4.2
91.05475	30.1
93.07042	44.3
95.04942	5.4
95.08602	38.2
97.06540	9.6
97.10159	4.8
99.08073	2.3
103.05483	3.4
105.07027	79.2
106.07363	2.3
107.08591	40.3
109.06525	8.3
109.10154	31.8
111.08054	2.8
111.11700	16.4
113.09631	1.9
113.69202	1.5
117.07008	7.8
119.08575	45.8
121.02872	2.1
121.06439	3.1
121.10149	31.8
123.08044	4.6
123.11684	17.5
125.09598	3.1
129.06996	4.8
130.04274	1.5
131.04893	1.8
131.08580	20.7
132.24254	1.6
132.57472	1.8
133.10124	98.2
134.09035	1.5
134.10451	3.0
135.08070	1.8
135.11688	23.1
135.38818	1.5
137.02330	2.1
137.09499	1.9
137.13231	3.7
139.11176	9.9
142.07748	3.9
143.08533	7.9
144.09302	2.6
145.06422	2.1
145.10118	23.1
147.11682	34.0
149.09579	3.5
149.13261	11.2
151.11160	2.5
153.01851	4.5
156.09276	2.8
157.06465	2.4
157.10126	15.3
158.10933	1.6
159.11674	22.6
161.09644	2.4
161.13229	12.4
163.11127	2.5
163.14836	3.7
169.10144	2.4
170.10814	1.7
171.11691	12.9
173.13242	13.2
175.11154	3.7
175.14810	10.8
177.12712	3.5
177.16457	2.1
177.73680	1.6
183.04387	1.8
184.05165	2.0
185.06093	1.8
185.13197	8.7
187.14836	9.9
189.12665	1.7
189.16364	7.1
193.15886	5.2
197.06007	2.5
199.14799	11.0
201.05429	2.7
201.16415	8.9
203.17987	2.3
205.16066	2.0
213.05444	6.2
213.16335	14.7
215.03761	1.9
215.17953	5.1
217.15775	3.7
219.17487	2.4
226.06229	2.9
227.07022	7.6
227.17908	6.3
229.04941	1.8
229.19505	6.9
241.04936	4.5
242.05580	1.9
243.11646	2.2
255.06403	2.9
256.07294	6.1
257.07916	2.0
257.13287	1.7
269.22617	28.9
272.03027	2.2
272.06961	2.2
287.05475	45.8
287.09106	16.1
287.14438	2.8
287.17328	3.9
287.20502	2.5
287.23672	61.2
287.31308	26.1
288.05817	3.9
288.24017	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87344	0.3
53.03950	0.4
55.09105	0.3
57.03431	0.6
58.99854	0.4
61.02918	0.9
68.98307	0.4
69.03423	1.1
69.17896	0.3
69.94082	0.3
70.06594	1.5
70.99835	0.3
71.05003	0.4
71.29710	0.4
72.08162	0.3
76.11203	0.3
81.03421	0.8
82.99844	0.8
85.02914	2.6
86.09703	0.5
88.06759	0.3
97.01393	0.9
97.02904	1.3
98.30776	0.3
98.97622	0.4
100.02508	1.1
101.00891	10.1
108.04497	0.6
109.02833	0.4
113.00885	1.0
115.02434	4.2
117.04000	0.7
118.03526	2.0
119.01933	17.8
121.01675	0.4
126.05527	100.0
127.03905	0.9
127.05053	0.3
127.05874	2.0
127.08683	0.7
128.11545	0.3
129.03978	1.3
131.01921	3.0
132.05002	0.6
133.03488	6.3
134.03647	0.3
135.05083	0.3
136.04581	1.4
137.02977	2.6
142.03461	0.3
143.01924	3.6
144.99838	0.9
145.03493	0.9
147.01398	0.7
147.04982	1.6
149.03006	0.5
149.06770	0.3
150.06165	1.0
151.04552	0.6
155.01920	0.6
156.05093	0.8
156.38850	0.3
157.03477	0.8
159.01483	0.6
159.05113	0.3
160.04576	1.3
161.02979	11.0
168.99858	1.8
171.01378	2.1
173.02963	1.9
174.06190	0.7
175.00938	0.8
175.04512	0.6
175.11942	0.4
177.02510	0.5
178.01192	0.4
178.05005	0.8
179.03999	0.4
185.02948	0.5
186.02490	0.4
187.00926	5.3
187.04524	1.5
189.02478	3.1
191.04021	2.0
196.99336	0.6
199.00876	2.6
199.04578	0.7
200.07825	0.4
201.02512	0.5
201.06073	0.3
203.00449	0.3
203.04080	0.7
205.01994	2.3
207.03572	0.7
211.04651	0.5
214.01900	0.4
215.00375	4.9
217.01952	4.9
217.05405	0.4
218.05231	0.6
219.03629	1.6
221.05113	0.7
222.05135	0.3
229.02037	0.9
229.05591	0.5
230.05145	0.3
231.03528	0.4
232.02997	0.5
233.01411	0.8
234.03882	0.5
235.03136	0.4
247.03085	5.0
253.30206	0.3
259.06598	0.7
261.08438	0.3
264.02609	0.3
265.02957	1.0
265.03894	1.0
277.04013	0.4
281.40231	0.3
288.10632	3.0
288.20447	0.7
289.04050	1.2
289.07788	1.6
306.11090	0.3
307.05173	1.4
307.08673	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.108
Annotation	Volkenin
Peak:m/z	Relative Intensity
53.03947	0.4
55.01873	0.2
55.05501	0.4
57.03437	0.2
57.11678	0.2
61.02913	0.2
65.03941	0.2
66.39387	0.2
67.05483	0.2
69.03440	0.5
70.06589	0.8
70.99870	0.1
73.02917	0.5
80.05014	0.4
81.03417	0.5
82.99863	0.4
83.04957	0.2
85.02913	1.0
86.66120	0.2
93.03422	0.3
95.04966	0.3
96.55487	0.2
97.01402	0.2
97.02905	0.9
99.04469	0.2
101.00880	3.7
102.72384	0.2
108.04485	0.4
109.02844	0.2
113.00850	0.2
115.02473	1.4
118.03555	0.9
119.01926	8.0
120.02053	0.2
121.02862	0.5
123.04433	0.3
124.01711	0.2
126.05518	100.0
126.98739	0.2
127.03914	1.9
127.04857	0.2
127.05012	0.2
127.05858	1.7
129.03984	0.4
131.01897	0.8
132.01987	0.2
132.05046	0.3
133.03461	1.8
135.04362	0.2
136.04565	0.4
136.36464	0.2
137.02953	1.3
139.03889	0.2
143.01918	1.6
144.99834	0.3
145.03470	0.4
145.04727	0.2
147.01474	0.2
147.05032	0.3
150.06154	0.2
151.04651	0.2
155.01935	0.2
156.05034	0.3
157.03539	0.3
160.04578	0.3
161.02957	3.4
168.99809	0.5
169.03526	0.3
169.05144	0.2
171.01410	0.6
172.05205	0.2
173.02946	0.9
174.06133	0.4
174.08754	0.2
175.00877	0.2
183.05051	0.4
185.02902	0.4
187.00885	1.4
189.02486	0.8
191.04036	0.7
192.05573	0.2
196.99341	0.2
197.02946	0.6
198.03145	0.7
198.05463	0.3
199.00887	0.5
199.02693	0.2
203.04060	0.3
205.01962	0.5
207.03528	0.2
215.00392	1.9
215.03964	0.3
216.04091	0.3
217.01991	1.0
219.03621	0.3
221.03008	0.2
229.02031	0.4
229.05560	0.2
233.01389	0.3
234.05078	0.4
238.05789	0.2
247.03014	1.4
257.05118	0.6
263.06226	0.3
265.03955	0.4
275.06039	0.9
276.06339	0.2
288.06470	0.2
288.10648	0.4
289.04092	0.2
289.07648	0.3
307.05066	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59371	1.9
51.64336	2.2
65.03944	7.0
67.05514	2.8
68.99797	4.5
69.03419	5.3
70.06605	2.8
71.29341	3.5
72.08150	4.4
73.92489	2.0
74.58578	2.3
74.99345	2.3
81.03436	4.7
81.04624	2.0
85.02916	16.8
85.82044	2.3
86.09718	2.7
89.03944	3.4
91.05486	72.1
93.03419	7.9
95.05009	5.3
97.02901	13.8
107.04990	5.7
111.00801	3.0
111.04454	19.0
117.03388	2.5
121.02860	2.8
123.04434	59.5
127.03915	33.7
129.10202	4.5
131.04927	6.4
135.03368	5.1
135.04414	100.0
139.03908	39.0
145.04977	4.9
147.77293	2.2
149.02313	13.1
149.06017	3.3
151.03896	19.3
159.04404	4.7
161.05994	3.8
163.03902	20.8
177.05510	2.2
185.05968	2.5
187.03938	3.5
197.05960	3.0
201.05463	3.1
215.07124	3.8
225.05580	2.4
231.06595	8.2
241.05019	2.6
243.06372	3.1
246.04778	3.0
259.05969	13.3
261.07654	5.8
271.06085	9.1
283.99432	2.3
288.05844	18.5
289.07062	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99977	1.9
55.05494	1.9
57.73045	1.8
59.21442	1.8
67.05494	3.7
69.07068	4.2
75.87648	1.9
79.05493	3.7
81.07067	6.2
83.08628	1.9
91.05470	2.2
93.03412	3.0
93.07046	5.0
95.04917	2.5
95.08597	5.3
98.23445	3.3
105.07027	3.7
107.04950	4.9
107.08591	5.2
109.10171	2.8
111.04469	3.7
117.07047	1.9
119.08557	4.2
121.02924	4.0
121.04032	1.8
121.10182	2.1
122.03207	2.2
123.04440	9.8
127.03934	6.2
131.04976	1.9
133.10135	3.7
135.04390	17.5
135.08055	2.1
139.03909	6.9
149.02365	2.5
149.13286	2.3
151.03889	5.2
153.01811	8.1
154.02180	5.1
157.10144	2.2
163.03909	2.7
214.05902	4.1
225.95955	2.2
228.18051	2.0
229.15631	2.3
242.05431	2.0
259.05753	4.0
271.06195	1.9
288.05835	100.0
288.13055	4.3
288.20395	4.8
288.24356	2.3
289.06253	5.3
289.14154	5.2
289.18286	2.5
289.21500	3.7
298.19205	1.9
301.18823	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.0
55.05507	14.4
59.05009	36.2
64.23003	3.5
67.05513	10.5
68.99776	4.2
69.03436	4.9
69.07050	9.3
71.04992	12.8
71.29154	4.1
74.34570	3.6
79.05493	14.5
81.07072	26.0
82.07384	4.1
85.06563	7.7
91.05490	16.5
93.07058	29.6
94.07399	3.9
95.04976	5.5
95.08619	13.4
96.08963	3.6
97.06552	5.4
97.10191	5.7
102.98895	4.0
105.07036	24.2
106.07403	4.5
107.08579	22.7
108.08923	5.0
109.06519	4.0
109.10171	11.1
111.04422	8.6
119.08588	17.5
120.08945	5.1
121.10143	7.4
122.10502	6.0
123.04424	8.9
123.11753	5.6
125.09648	12.7
127.03929	7.3
131.08603	5.1
133.10143	8.5
134.10458	4.9
135.04420	25.1
135.05350	4.0
135.11746	5.6
139.03888	6.6
143.08574	4.2
143.10707	6.4
145.10172	7.2
146.10498	5.1
147.11720	11.9
148.12050	7.1
149.13164	4.2
151.03964	6.0
153.01826	8.4
154.02153	6.3
157.10106	4.1
157.12091	4.2
159.11731	5.9
160.12088	5.8
161.13293	7.7
190.16675	4.0
230.43262	4.2
243.21092	4.1
270.23038	8.3
273.12674	4.5
277.52307	4.0
288.05823	100.0
288.10889	7.0
288.14835	6.7
288.24081	15.6
289.06021	4.3
289.18326	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99977	1.9
55.05494	1.9
57.73045	1.8
59.21442	1.8
67.05494	3.7
69.07068	4.2
75.87648	1.9
79.05493	3.7
81.07067	6.2
83.08628	1.9
91.05470	2.2
93.03412	3.0
93.07046	5.0
95.04917	2.5
95.08597	5.3
98.23445	3.3
105.07027	3.7
107.04950	4.9
107.08591	5.2
109.10171	2.8
111.04469	3.7
117.07047	1.9
119.08557	4.2
121.02924	4.0
121.04032	1.8
121.10182	2.1
122.03207	2.2
123.04440	9.8
127.03934	6.2
131.04976	1.9
133.10135	3.7
135.04390	17.5
135.08055	2.1
139.03909	6.9
149.02365	2.5
149.13286	2.3
151.03889	5.2
153.01811	8.1
154.02180	5.1
157.10144	2.2
163.03909	2.7
214.05902	4.1
225.95955	2.2
228.18051	2.0
229.15631	2.3
242.05431	2.0
259.05753	4.0
271.06195	1.9
288.05835	100.0
288.13055	4.3
288.20395	4.8
288.24356	2.3
289.06253	5.3
289.14154	5.2
289.18286	2.5
289.21500	3.7
298.19205	1.9
301.18823	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83140	1.1
58.99866	1.7
69.52251	6.6
70.99856	3.3
77.53243	1.1
78.39499	1.2
82.99826	7.9
85.02905	2.0
89.00909	1.5
97.01394	4.3
97.02866	2.6
101.00880	67.3
102.00945	2.4
103.02451	1.4
113.00869	6.2
115.02428	22.0
117.04062	3.1
119.01920	100.0
120.02045	3.6
126.05536	6.2
126.98766	2.1
127.02386	1.9
127.03898	4.8
127.05865	4.8
129.00381	1.3
129.03978	6.7
131.01910	16.7
133.03471	32.0
134.03586	1.8
135.05051	1.8
137.02917	12.1
143.01886	19.8
144.99838	4.6
145.03465	7.1
147.01376	2.1
147.05032	6.0
149.02968	3.9
151.04524	3.0
155.01917	3.4
157.03471	5.1
159.01341	2.7
161.02953	54.3
162.03172	2.1
163.04472	1.4
168.99794	10.3
169.03474	1.4
171.01355	9.7
173.02942	10.0
175.00906	3.5
175.04582	2.9
177.02419	2.3
179.00523	1.3
179.04045	2.8
184.62138	1.1
185.02943	4.3
186.20398	1.1
187.00894	28.8
187.02573	2.3
187.04483	6.8
188.01086	2.0
189.02437	16.1
191.03992	10.0
196.99370	4.9
199.00894	16.9
199.04570	4.4
201.02460	5.0
203.03979	2.6
203.68169	1.3
205.01906	11.4
205.05531	1.1
207.03474	2.7
211.04492	1.2
213.19972	1.2
215.00352	28.6
216.00572	2.1
217.01935	23.2
217.05460	2.5
218.02156	2.8
219.03513	9.1
221.05087	4.3
229.01913	8.6
229.05586	3.2
231.03397	1.4
233.01445	4.9
235.03191	3.2
247.03015	26.0
248.03302	1.2
259.03210	1.6
259.06357	2.0
265.04105	7.1
271.37390	1.2
277.04004	4.2
289.04022	5.6
289.07590	10.3
293.03616	1.6
307.01584	1.2
307.05042	6.0
307.08807	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30256	1.3
58.99854	2.3
64.61330	1.2
69.03426	2.6
70.99868	2.7
71.28736	1.3
73.61246	1.1
74.50941	1.2
82.99854	5.0
85.02892	3.3
86.99371	2.2
97.01407	3.7
97.02889	1.7
98.97606	2.0
101.00879	54.6
102.00949	2.1
103.00640	2.2
109.02879	1.6
113.00866	5.2
115.02435	17.3
117.03990	2.0
119.01918	100.0
120.02024	3.0
121.01685	1.4
123.04451	2.8
126.05537	2.6
126.98839	2.7
127.03907	25.0
127.05911	2.3
127.08651	1.4
129.00362	1.3
129.04002	4.9
131.01910	14.3
133.01770	1.1
133.03464	32.3
135.04341	7.4
137.02969	17.8
139.03880	2.3
143.01886	15.7
144.99847	4.2
145.03462	7.0
147.01382	5.3
147.05069	7.7
149.02959	3.8
151.04532	5.0
153.00342	1.3
155.01953	2.9
157.03488	4.0
159.01395	2.0
161.02950	49.1
162.03157	2.7
163.04124	1.2
165.99918	1.6
168.99812	9.5
169.03473	1.5
171.01410	11.0
173.02934	9.4
174.97763	1.3
175.00896	3.6
175.02774	1.5
175.04582	3.5
177.02438	2.3
179.02118	1.5
179.03995	2.3
185.02969	4.6
187.00877	25.6
187.04474	9.6
189.02451	14.6
191.03990	9.9
196.99344	4.4
199.00845	12.5
199.04567	4.0
201.02525	4.4
203.00703	1.2
203.03986	3.3
205.01956	10.6
207.03520	5.3
211.04556	1.7
215.00363	24.0
216.98744	1.8
217.01930	24.4
217.05540	2.0
219.03630	11.6
221.05040	2.4
229.02014	6.1
229.05576	3.2
231.03616	1.6
233.01462	4.6
234.99760	2.6
235.03101	2.6
237.04625	1.9
247.00719	1.6
247.03011	23.0
247.06647	1.9
248.03409	1.3
265.04355	7.8
266.02911	1.7
271.06540	1.4
277.03983	1.8
289.04001	11.2
289.07108	8.3
307.05127	11.3
307.08731	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0706
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
53.03932	1.3
55.01849	1.7
65.03938	3.5
67.01858	2.2
67.05498	1.2
68.99790	5.9
69.03432	1.2
70.58652	1.2
79.05490	1.5
81.03413	1.5
89.03913	0.7
91.05475	2.3
93.03392	2.6
94.53691	0.6
95.04958	2.5
97.02890	2.1
103.24832	0.6
105.03375	0.7
107.04951	73.2
108.05296	1.0
111.00828	0.7
111.04439	9.4
115.05473	1.0
117.03322	1.0
119.04926	3.3
121.02861	14.2
123.04424	10.6
127.03922	5.0
130.06541	1.0
131.04919	1.8
131.08572	1.6
133.02855	0.8
135.04414	22.0
137.02350	3.5
139.03909	10.8
141.06996	4.4
144.05730	1.0
145.06502	2.1
147.04413	1.6
147.08035	1.6
149.02339	77.0
150.02708	1.9
151.03888	3.6
153.01823	100.0
154.02214	1.5
157.07635	1.0
158.06033	1.1
159.04466	0.7
159.08008	1.1
163.03889	6.1
167.03395	7.5
169.06461	5.8
173.06030	1.4
185.05959	0.9
187.07512	2.6
195.02893	7.8
197.05978	6.8
201.05461	0.8
213.05447	1.9
215.07024	67.5
216.07410	2.7
225.05440	1.1
229.04948	0.8
231.06596	1.0
241.04874	0.7
242.05788	2.4
243.06517	48.4
244.06894	2.0
259.05948	2.1
261.07526	0.9
271.05997	14.1
289.07040	7.8
289.14072	0.9
293.69635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0705
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
53.03934	1.2
55.01874	1.4
56.96562	3.8
63.55677	0.8
65.03947	4.7
67.01870	3.3
67.05514	1.0
68.99790	7.1
69.03432	2.4
69.34450	3.3
69.34869	2.3
73.02921	0.8
79.05482	3.2
81.03429	2.0
81.07056	0.9
85.02927	1.9
89.03912	1.6
91.05491	3.6
93.03402	3.1
93.07055	0.9
95.04972	3.8
97.02900	2.6
107.04953	74.9
108.05281	1.4
109.02874	1.1
111.04445	12.0
115.05514	1.0
117.03373	1.6
119.04942	3.0
121.02866	13.1
123.04424	19.2
127.03914	14.4
131.04932	2.9
133.02849	1.1
134.99593	0.9
135.04416	41.2
135.48950	0.8
137.02330	2.2
139.03909	16.5
140.04263	1.1
141.07005	4.6
145.02872	0.9
145.06491	1.3
147.04437	2.8
147.08022	1.6
149.02341	73.3
150.02762	1.5
151.03900	9.8
153.01826	100.0
154.02209	2.0
157.06471	1.1
159.04361	1.1
159.08081	1.1
163.03912	9.3
167.03410	8.9
167.04712	1.1
169.06514	5.8
171.02884	4.1
173.05945	1.8
173.14430	0.9
179.03416	1.4
180.52956	1.6
185.05922	1.8
187.03874	1.8
187.07547	2.4
194.54477	1.3
195.02885	7.8
197.05983	9.6
201.05501	1.7
202.05760	1.9
205.04918	1.4
207.24719	0.8
213.05486	2.2
215.07024	68.9
216.07335	4.0
225.05435	2.3
229.04915	1.3
231.06506	4.1
237.02844	1.2
242.05792	2.7
243.06528	58.1
244.06879	2.6
253.04924	1.2
259.06100	3.6
261.07578	3.6
271.06006	15.9
274.07715	6.0
283.09769	1.1
289.03784	1.1
289.06973	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0707
Annotation	2',4',5,7-Tetrahydroxyisoflavanone
Peak:m/z	Relative Intensity
51.02393	0.3
53.03950	0.7
55.01882	1.0
65.03940	2.4
67.01873	2.6
67.05491	0.3
68.99786	4.7
69.03432	1.5
71.30496	0.2
71.30925	0.4
79.05509	1.8
81.03402	0.7
83.01350	0.4
84.06702	0.3
88.92798	0.2
91.05475	2.5
93.03401	0.4
95.04971	2.2
97.02911	1.0
105.03458	0.3
107.04958	76.2
108.05286	1.5
109.02853	0.3
111.00818	0.5
111.04449	3.0
115.05460	0.6
117.07024	0.5
119.04948	2.8
119.08602	0.3
121.02869	13.0
122.03210	0.8
123.04450	1.7
127.03927	2.2
128.06274	0.3
129.07027	0.4
131.04953	1.4
131.08551	0.9
133.02852	0.3
135.04424	7.0
139.02907	0.4
139.03915	4.4
141.06999	3.7
143.08574	0.3
144.05717	0.3
145.02867	0.4
145.06497	1.5
147.04419	2.4
147.08061	1.7
148.04749	0.2
149.02345	71.9
150.02660	1.9
151.03888	0.5
152.06197	0.4
153.01831	100.0
154.02155	2.4
155.02258	0.7
155.04901	0.6
155.08453	0.2
156.82710	0.2
157.06476	0.5
158.06837	0.3
159.04448	0.6
159.08105	1.2
163.03908	2.4
165.01845	0.4
166.02406	0.3
167.03415	8.5
167.04845	0.4
169.06490	6.2
171.02893	1.1
172.05177	0.2
173.06009	1.4
175.03938	0.4
175.07582	0.4
181.06534	0.5
185.05908	0.7
187.03941	0.5
187.07616	1.9
195.02901	8.8
197.05980	7.4
198.06512	0.7
200.04694	0.4
201.05443	0.8
203.10683	0.9
213.05367	0.8
214.05809	0.5
215.07037	63.5
216.07407	2.7
224.04161	0.3
225.05515	1.1
228.07259	0.3
233.04451	0.3
242.05737	2.9
243.06537	47.3
244.06824	2.1
257.04416	0.4
257.10764	0.3
265.61102	0.3
271.06009	14.1
272.06226	0.7
289.06232	16.3
289.10239	1.3
289.15326	0.5
290.06512	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0706
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
51.02377	0.8
53.03938	1.5
55.01863	2.9
58.33192	0.5
59.76423	0.4
65.03951	2.4
67.01876	0.5
67.05497	4.3
68.99790	4.9
71.06561	0.6
71.06898	0.6
75.77048	0.4
77.03918	0.9
79.05472	1.5
81.03414	0.6
83.01328	1.3
83.04988	0.9
85.02905	0.8
89.03912	3.4
91.05483	1.3
91.42719	0.4
93.03395	2.7
95.04967	7.3
97.02893	0.5
103.05475	1.9
104.60954	0.4
105.03365	2.7
105.04497	0.8
105.07021	0.9
107.04932	3.1
109.02860	0.6
111.00796	2.3
111.04444	3.8
115.05435	1.6
117.03391	4.1
119.04934	1.5
121.02859	0.9
121.06512	0.9
123.04424	100.0
124.04757	2.1
127.03914	3.6
129.01826	0.7
129.07025	1.0
131.04944	4.9
133.06458	1.0
135.04410	11.8
136.04738	0.6
137.02217	0.5
139.03896	41.0
140.04324	0.9
141.06973	1.3
142.93523	0.5
143.04982	0.5
145.02850	4.9
149.02333	1.7
149.05943	2.2
151.03897	8.8
153.01855	1.5
153.06987	0.6
155.04912	0.7
157.06490	1.3
159.04416	9.6
161.05954	1.5
163.03903	28.0
164.04225	1.1
169.06450	1.3
173.06000	1.7
175.07597	0.6
177.05479	3.5
179.03378	0.7
183.04457	0.9
185.06001	1.9
187.03865	5.6
197.05956	3.6
201.05464	1.2
203.06969	1.0
205.04938	3.3
211.03920	0.9
215.07040	1.6
217.05034	0.9
225.05481	2.0
229.04936	1.2
231.06451	0.5
243.06578	3.2
245.04425	2.6
253.04990	1.7
271.05975	3.2
289.07037	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.03938	1.5
55.01863	2.9
58.33192	0.5
59.76423	0.4
65.03951	2.4
67.01876	0.5
67.05497	4.3
68.99790	4.9
71.06561	0.6
71.06898	0.6
75.77048	0.4
77.03918	0.9
79.05472	1.5
81.03414	0.6
83.01328	1.3
83.04988	0.9
85.02905	0.8
89.03912	3.4
91.05483	1.3
91.42719	0.4
93.03395	2.7
95.04967	7.3
97.02893	0.5
103.05475	1.9
104.60954	0.4
105.03365	2.7
105.04497	0.8
105.07021	0.9
107.04932	3.1
109.02860	0.6
111.00796	2.3
111.04444	3.8
115.05435	1.6
117.03391	4.1
119.04934	1.5
121.02859	0.9
121.06512	0.9
123.04424	100.0
124.04757	2.1
127.03914	3.6
129.01826	0.7
129.07025	1.0
131.04944	4.9
133.06458	1.0
135.04410	11.8
136.04738	0.6
137.02217	0.5
139.03896	41.0
140.04324	0.9
141.06973	1.3
142.93523	0.5
143.04982	0.5
145.02850	4.9
149.02333	1.7
149.05943	2.2
151.03897	8.8
153.01855	1.5
153.06987	0.6
155.04912	0.7
157.06490	1.3
159.04416	9.6
161.05954	1.5
163.03903	28.0
164.04225	1.1
169.06450	1.3
173.06000	1.7
175.07597	0.6
177.05479	3.5
179.03378	0.7
183.04457	0.9
185.06001	1.9
187.03865	5.6
197.05956	3.6
201.05464	1.2
203.06969	1.0
205.04938	3.3
211.03920	0.9
215.07040	1.6
217.05034	0.9
225.05481	2.0
229.04936	1.2
231.06451	0.5
243.06578	3.2
245.04425	2.6
253.04990	1.7
271.05975	3.2
289.07037	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0918
Annotation	Dianthoside
Peak:m/z	Relative Intensity
51.21835	0.2
53.03930	0.4
55.01873	0.6
58.57959	0.3
61.02922	0.7
68.99783	0.5
69.03429	1.8
69.70466	0.3
69.70802	1.7
81.03426	1.0
85.02912	4.2
93.03387	0.4
94.49801	0.3
97.02887	1.5
98.97532	0.3
109.02877	0.9
111.04438	1.0
123.04425	4.9
127.03915	100.0
128.04271	1.7
135.04431	4.1
139.03899	5.8
145.04948	0.6
146.71545	0.3
149.02332	0.6
149.06073	0.4
151.03922	1.0
159.04431	0.4
159.56721	0.3
161.77644	0.3
163.03886	2.1
175.70940	0.3
187.03967	0.4
205.04971	0.6
271.06097	0.8
273.82498	0.4
289.07089	1.1
289.12555	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.216
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
50.29856	4.3
53.03936	4.4
55.05513	35.2
56.68556	4.4
57.07066	7.4
59.04996	66.6
67.05497	13.5
69.07059	16.4
71.29866	6.4
73.55681	3.8
79.05496	12.1
81.07037	20.8
81.41016	3.6
83.04976	3.8
83.08623	4.2
85.06542	95.8
88.93608	3.5
91.05460	19.6
93.07045	33.1
95.04935	6.4
95.08612	29.2
97.72498	4.1
98.22739	4.3
99.08083	21.2
105.07056	20.2
107.08589	19.0
109.10160	9.4
111.08035	7.6
119.08581	25.7
121.10133	6.2
123.11687	4.9
125.09617	22.1
125.63056	3.8
127.03909	4.5
129.06978	4.1
129.24864	4.1
131.08568	27.7
131.84593	3.8
133.10112	28.9
135.08052	5.0
135.11658	4.1
142.07771	10.2
143.08556	13.1
145.10127	19.8
147.11647	11.3
152.56972	4.2
155.08493	6.9
156.09251	4.5
157.10136	30.4
158.10915	8.1
159.11685	19.1
164.45483	3.9
168.09303	8.1
169.10117	12.0
170.10887	5.1
171.11649	18.0
173.13255	43.9
175.11250	4.3
177.12733	7.2
181.10231	4.3
182.10980	4.1
183.11717	36.8
184.29358	3.5
187.14890	4.9
191.14247	5.8
197.13264	19.7
199.14766	15.9
201.12749	13.9
209.13120	5.1
211.14886	4.4
213.16518	5.9
217.15950	5.1
224.15524	5.6
231.17438	5.3
233.52469	4.6
239.17940	17.4
245.86203	4.1
257.18973	15.2
259.17010	5.4
271.20624	14.6
289.08154	5.8
289.18576	5.2
289.21603	100.0
290.08417	8.2
290.21927	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2526
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03937	3.9
55.05516	20.6
57.03438	2.1
57.07072	7.3
60.21804	1.7
63.63381	1.8
67.05508	26.1
69.07069	35.9
71.04982	8.1
71.30198	2.6
79.05487	18.5
80.91246	1.8
81.06577	3.8
81.07056	73.4
82.07404	2.1
83.04972	1.6
83.08620	13.5
85.06535	3.5
91.05493	13.9
92.96291	2.0
93.06471	2.7
93.07050	55.7
95.08607	68.2
96.08944	2.3
97.06541	1.9
97.10162	7.7
99.08081	4.1
105.07022	34.5
107.08598	69.6
108.41261	1.8
109.09447	3.6
109.10159	59.2
110.10561	2.2
111.08073	3.0
111.11707	5.8
113.09664	2.0
114.45071	1.7
119.08578	35.9
121.10144	50.2
123.08084	3.8
123.11715	28.7
125.09649	4.0
127.03943	4.8
127.11191	10.2
131.08571	9.2
133.10126	29.6
135.11697	26.0
137.13232	11.3
139.11118	5.0
143.08496	2.3
145.10110	12.2
147.11679	32.6
147.12759	2.8
149.13258	58.2
150.13528	2.0
151.11188	3.2
151.14832	2.1
153.12747	3.4
159.11691	16.2
161.13242	28.4
163.14816	15.4
165.12709	4.2
173.13245	10.0
175.14813	14.1
177.16443	8.8
179.14340	8.1
187.14821	15.6
189.16368	7.3
191.17981	6.2
195.17433	2.5
201.16347	13.4
203.17937	28.1
205.15839	3.4
207.11806	2.0
215.17989	11.3
217.19496	4.8
229.19633	2.7
231.11702	2.5
233.18938	4.4
245.22717	2.2
247.14871	2.1
267.71948	1.9
271.24203	44.9
289.15857	2.4
289.19397	6.1
289.25241	100.0
290.25537	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2525
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03946	2.3
55.05514	18.1
57.07075	5.8
59.04984	2.4
67.05500	19.0
69.03421	1.9
69.07067	49.6
69.33374	1.3
70.34511	4.2
71.04986	5.3
71.08637	1.8
74.76675	1.1
79.05490	20.2
81.07055	80.0
82.07380	1.5
83.04975	1.4
83.08617	15.0
85.06520	2.2
91.05483	11.1
93.07042	40.3
95.04967	2.9
95.08603	56.8
96.08929	1.5
97.06535	5.1
97.10165	6.3
99.08093	2.2
105.06371	1.8
105.07027	20.2
107.08594	46.8
108.08897	1.4
109.06505	2.2
109.10154	35.8
111.08094	3.4
111.11710	8.3
117.06982	1.5
119.08575	22.4
121.10139	32.2
123.08111	1.9
123.10798	1.9
123.11700	36.4
124.12031	1.4
125.09608	2.3
127.11188	3.4
130.06546	1.5
131.06906	3.1
131.08543	6.6
133.10109	12.4
135.04399	2.1
135.11693	31.0
136.12054	1.4
137.09604	1.4
137.13239	9.9
139.11159	4.1
141.12730	1.4
145.10146	10.1
147.11674	16.0
149.09583	1.7
149.13257	33.3
151.11214	4.9
151.14827	1.5
159.11674	12.7
161.13252	10.9
163.14824	11.3
165.12761	4.5
167.14267	3.1
173.13312	7.7
175.14845	10.6
177.16330	6.5
179.14299	3.9
187.14803	7.7
188.96085	1.5
189.16391	9.9
191.17918	6.1
193.15887	1.5
201.16391	7.9
203.17970	5.5
205.19449	1.3
207.17401	3.0
213.16487	1.5
215.17892	9.9
219.17459	1.9
229.19473	2.2
231.20987	2.9
245.22563	2.7
261.25714	1.7
271.21289	1.1
271.24191	24.0
271.26996	1.0
289.25244	100.0
290.25717	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2525
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03930	2.2
54.42241	1.6
55.05511	22.3
57.07067	8.4
58.92821	2.3
64.81731	1.7
65.03915	2.3
67.05505	30.0
69.03419	4.1
69.07066	51.2
69.30322	3.8
69.30734	7.5
71.04984	2.7
71.08613	3.5
79.05498	23.4
81.07055	100.0
83.08611	14.6
84.20598	2.0
85.06544	4.3
86.24983	1.8
91.05486	15.4
93.07044	41.0
95.04956	3.6
95.08602	84.5
97.06544	5.1
97.10168	8.1
97.52371	1.8
98.22509	4.0
99.08092	2.6
105.07030	33.2
107.08595	44.5
108.51411	1.9
109.06499	7.7
109.10158	57.2
111.08089	6.4
111.11715	4.6
117.06998	4.2
119.08575	37.6
121.10137	31.9
123.08083	5.3
123.11705	26.7
125.09632	5.6
131.08553	13.0
133.10150	22.5
135.08110	1.9
135.11682	20.9
137.09631	4.7
137.13219	8.5
139.11119	2.9
143.08542	3.0
145.10127	17.6
147.11678	21.6
149.13246	15.6
151.11180	16.1
151.14822	3.2
157.10150	2.4
159.11710	20.1
161.13261	14.2
163.11234	3.4
163.14836	12.8
165.12769	4.8
165.16328	2.6
171.11673	2.6
173.13271	11.0
175.14784	9.8
177.16425	7.8
179.14301	4.6
187.14841	13.4
189.16406	7.9
191.17941	5.7
193.15797	2.3
201.16365	7.7
203.17908	6.6
215.18018	11.3
217.19450	2.4
224.01205	2.2
229.19542	3.9
231.21127	4.5
271.24210	40.2
272.24292	2.3
289.05164	2.7
289.08563	7.1
289.18292	3.2
289.21893	4.1
289.25238	83.1
290.25568	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2525
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
51.02359	1.1
53.03941	2.8
55.05512	20.8
57.02499	0.9
57.03428	1.3
57.07074	6.8
58.26786	1.0
58.82220	1.0
65.03915	1.4
67.05502	27.9
69.03417	1.2
69.07069	26.9
71.04974	3.1
71.08617	3.7
71.29082	2.0
79.05067	1.5
79.05490	19.6
81.07056	67.8
83.04977	1.2
83.08614	13.0
85.06533	3.0
91.05481	14.8
93.07038	48.8
93.07627	2.5
95.04967	1.8
95.08607	58.5
96.08904	1.4
97.06514	4.6
97.10175	9.5
99.08082	2.2
105.07028	24.4
107.08593	54.7
108.08949	1.5
109.06519	3.1
109.10155	45.1
110.10439	1.9
111.04430	1.4
111.08083	9.8
111.11708	3.1
113.09644	3.5
117.07024	4.5
119.08575	25.3
121.10140	40.2
123.04418	3.8
123.08060	3.5
123.11705	21.9
125.09597	8.6
127.03880	2.1
127.11206	2.4
129.07068	1.4
131.08560	10.4
133.10115	20.5
135.04404	8.1
135.08060	2.1
135.10660	1.7
135.11690	31.2
137.09605	4.1
137.13245	5.3
139.03891	3.5
139.11166	3.3
141.12808	1.3
143.08583	1.6
145.10110	14.9
145.11150	2.0
147.11678	18.8
149.09584	2.1
149.13252	37.3
150.13556	2.0
151.03899	1.2
151.11159	3.3
151.14784	2.7
153.12691	1.3
157.10117	1.9
159.11693	20.4
161.13260	20.6
163.03906	1.6
163.11189	2.3
163.14810	24.2
164.15160	1.8
165.12756	5.6
165.16386	1.9
173.13261	14.1
175.14818	13.4
177.12785	1.6
177.16356	12.6
179.14262	6.0
185.22879	1.2
187.14807	13.5
189.16440	7.0
191.14337	1.5
191.17937	13.1
193.15849	4.9
201.16382	13.7
203.17903	3.2
205.15784	1.7
207.17416	3.5
215.17924	14.5
217.19511	3.5
219.17488	2.0
219.21094	1.1
229.19470	6.0
231.21057	9.1
233.18967	3.2
243.20964	1.3
271.24185	52.9
272.24478	4.5
289.06018	1.8
289.25241	100.0
290.25662	8.6
301.66147	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2524
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03943	3.3
55.05510	17.4
57.07069	5.7
64.23927	1.8
67.05502	27.9
69.07069	75.2
71.04981	3.4
71.08614	1.8
73.62720	1.9
79.05495	25.9
81.07056	92.9
82.07355	2.3
83.08624	11.8
85.06558	3.2
91.05472	11.2
93.07046	40.8
94.10655	1.8
95.08609	60.3
97.06519	2.2
97.10162	5.3
105.07018	28.0
107.08590	51.6
109.06519	3.1
109.10162	42.9
111.08040	3.8
111.11723	46.1
113.09668	2.4
117.07053	2.3
119.08571	27.4
121.10143	36.9
123.11713	17.2
131.08568	6.2
133.10138	19.3
135.11696	49.9
137.09616	3.7
137.13243	6.4
139.11185	6.1
145.10124	10.0
147.11690	20.0
149.13258	25.7
151.11227	2.8
151.14832	2.7
159.11702	7.0
161.13232	15.5
163.14821	30.0
167.14362	1.9
173.13237	7.3
175.14798	14.1
177.16388	5.7
179.14313	3.2
187.14827	7.1
189.16397	8.7
191.17976	2.3
193.15895	2.2
201.16365	8.8
203.17989	3.4
215.17946	11.2
228.79861	2.1
229.19405	3.4
231.21086	4.3
245.22774	1.8
271.16339	1.9
271.24203	36.9
272.24475	2.5
289.25253	100.0
290.25580	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2525
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
50.39720	1.3
53.03939	2.7
55.05511	18.0
57.07064	5.4
67.05504	17.4
69.03421	3.1
69.07068	46.9
71.04994	1.9
79.05493	16.0
79.68743	1.2
81.07056	74.9
83.04974	1.8
83.08612	10.7
85.06530	2.9
88.97810	1.3
91.05471	10.1
93.07043	28.1
95.08607	64.2
96.08917	2.3
96.30702	1.2
97.10165	10.6
98.23362	2.9
99.08081	3.1
105.07027	23.7
107.08591	41.2
108.08952	1.7
109.06550	2.5
109.10152	26.3
111.08061	2.4
111.11714	19.5
117.07043	3.7
119.08578	34.8
120.08871	2.8
121.10140	27.4
122.10467	2.2
123.11701	17.3
125.09564	1.8
125.13264	1.6
127.03907	3.4
131.08545	6.6
133.10121	20.3
135.11700	29.0
137.13258	6.6
139.11188	3.1
144.09399	1.6
145.10141	11.2
147.11687	28.4
148.11977	1.6
149.13255	17.7
159.11687	12.8
160.12488	2.5
161.13271	25.9
163.14816	18.4
164.15274	1.5
173.13246	11.9
174.13680	1.7
175.14828	18.1
177.16380	7.5
179.14178	1.7
183.94980	1.8
187.14850	7.2
188.15393	1.7
189.16367	9.5
191.17995	2.5
193.15883	6.2
201.16406	9.4
203.17944	5.5
205.10065	1.7
205.15811	1.4
207.17343	2.6
215.17982	8.0
218.07405	1.6
219.17488	1.9
229.19521	3.6
231.11670	2.5
231.21126	2.5
233.19006	3.1
245.22670	2.2
247.20561	2.1
259.11319	2.1
271.24188	24.2
272.24542	2.5
274.13403	2.2
289.05093	2.2
289.08539	3.1
289.12881	1.7
289.15839	6.1
289.19376	5.6
289.25220	100.0
290.16150	1.5
290.25632	7.0
295.52621	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2526
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03938	3.2
55.05513	21.5
57.03450	2.7
57.07061	7.2
67.05514	34.7
69.03433	5.4
69.07069	41.7
70.49157	2.8
70.49492	4.8
70.96697	1.7
71.04982	4.3
71.08632	2.4
79.05491	21.1
81.07059	100.0
81.89339	1.8
82.07398	2.1
83.04990	2.8
83.08621	15.1
85.06526	3.1
91.05496	12.9
93.07053	46.3
95.08611	97.8
96.08918	3.0
97.06532	7.1
97.10164	11.0
99.08093	2.6
105.07027	27.4
107.08598	50.7
108.08940	2.9
109.06551	4.0
109.10160	61.4
111.08087	4.7
111.11735	5.8
112.18265	1.8
113.09621	2.4
117.07050	4.6
119.08577	34.4
121.10154	36.8
123.08084	4.1
123.11711	32.5
125.09622	5.4
127.11221	6.6
129.12793	2.2
131.08557	7.0
133.10144	24.4
135.11700	26.8
137.09636	5.2
137.13226	9.2
139.11163	2.6
145.10091	13.8
147.11684	20.9
149.13255	25.4
151.11188	3.1
151.14793	3.1
153.12843	2.7
154.49014	2.3
159.11736	12.1
161.13240	22.4
163.14890	19.1
165.12732	2.7
173.13193	10.1
175.14780	16.7
177.16397	8.3
179.14264	3.2
187.14809	9.9
189.16351	11.0
193.15947	4.5
201.16460	10.6
203.18031	10.9
205.15939	2.2
205.19565	3.8
207.17445	3.9
215.17914	10.1
231.21005	4.2
271.24213	28.1
289.25259	83.5
290.25632	4.0
305.59332	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2524
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03953	3.5
55.05510	12.4
57.07077	5.7
67.05502	18.9
69.07066	21.0
79.05497	22.3
81.07055	100.0
83.08612	13.3
86.78403	2.7
91.05473	7.8
93.07048	29.0
95.08609	48.8
97.10176	12.5
98.22988	17.1
98.90192	2.4
105.07008	9.5
107.08578	18.0
109.10146	31.8
111.08077	10.3
111.11698	3.6
119.08600	9.9
121.10134	9.9
123.11706	22.9
131.08575	4.8
133.10097	8.0
135.11690	8.8
137.09549	3.5
137.13295	2.7
145.10094	6.8
147.11691	6.7
149.13197	5.0
159.11670	5.3
161.13281	5.4
163.14857	3.7
173.13235	4.8
175.14914	5.8
177.16371	4.6
179.17952	4.3
184.68341	2.6
189.16371	6.7
201.16333	3.2
203.17960	5.4
207.17572	3.2
215.17880	3.0
271.24249	7.1
289.25204	33.9
310.16910	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2524
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03951	2.7
53.26755	1.4
55.05511	28.4
57.07081	7.5
65.03934	2.4
67.05505	42.1
69.03433	5.0
69.07067	36.7
69.07345	0.8
70.07804	1.3
71.04987	4.7
71.08638	3.0
71.32294	2.2
79.05492	29.4
81.07055	98.4
82.07391	1.7
83.04984	5.3
83.08611	16.5
85.06509	3.6
85.57515	1.5
91.05470	22.7
93.07041	65.5
95.04974	5.8
95.08605	100.0
97.06511	10.6
97.10155	8.2
99.08090	1.8
105.07027	42.2
107.08592	71.0
109.06535	5.2
109.10158	72.9
110.39825	1.3
111.04436	4.6
111.08095	4.8
111.11757	3.5
113.09666	1.7
117.07028	5.0
119.08576	38.9
121.10136	52.7
123.08083	5.4
123.11712	37.5
125.09650	5.9
127.11193	5.1
129.07033	2.0
131.08542	9.4
133.10133	31.0
135.08066	2.2
135.11693	38.7
137.09648	5.8
137.13240	9.1
139.11176	4.3
143.08543	2.3
145.10121	17.0
147.08078	1.7
147.11690	27.2
149.13254	35.7
151.11163	4.9
151.14842	4.7
153.12769	2.9
157.10127	2.4
159.11707	14.3
161.09625	2.2
161.13251	27.4
163.14832	28.2
165.12755	4.2
165.71774	1.5
173.09621	1.7
173.13286	11.4
175.14832	20.3
175.16203	1.9
177.12851	1.4
177.16412	10.3
179.14294	3.1
187.09096	1.5
187.11113	2.0
187.14810	9.2
189.16396	18.9
191.17961	5.5
193.12267	2.3
193.15883	3.4
201.16420	11.4
203.17958	10.4
205.19569	4.5
207.13841	2.1
207.17412	3.1
215.14394	1.9
215.17918	22.6
215.19818	2.1
216.18326	1.7
219.17479	2.0
229.19545	3.5
231.08154	1.6
231.11723	2.2
231.21059	3.4
243.21088	5.3
246.14061	1.9
247.11128	2.0
259.11111	2.0
271.20679	5.7
271.24228	33.1
272.24457	2.1
274.13434	4.3
283.88742	1.6
289.16092	12.1
289.21689	22.0
289.25275	81.7
290.16592	2.3
290.25711	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2525
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
55.05082	1.2
55.05510	20.2
57.07068	6.7
58.96675	1.0
67.05505	12.0
69.07067	39.5
79.05496	10.0
81.07062	55.3
83.08626	14.7
85.06542	2.7
91.05492	4.9
91.13994	1.2
93.07051	17.3
93.36298	1.3
95.04942	1.2
95.08608	56.3
96.08928	1.5
97.10175	14.0
98.22577	3.2
99.08109	3.6
102.27934	1.3
105.07034	23.2
107.08593	24.0
108.08894	1.1
109.10166	21.9
111.11700	2.2
112.57379	1.1
113.06983	1.4
117.07021	1.1
118.35499	1.1
119.08579	36.5
119.09438	1.8
121.10150	20.4
123.11709	13.1
125.13242	2.2
131.08578	6.1
133.10133	19.5
135.11684	10.6
137.13249	4.0
145.10132	11.5
147.11682	29.6
149.13243	9.2
151.14952	1.3
159.11739	12.2
160.12477	3.6
161.13266	31.0
162.13585	1.4
163.14816	13.6
173.13254	14.0
175.14827	21.0
177.16360	6.0
179.14363	1.6
181.15813	1.2
187.14824	8.4
188.15598	2.2
189.16411	11.5
191.17923	2.8
193.15901	9.0
197.46957	1.4
201.16374	6.7
203.17995	4.6
207.17458	2.7
215.17963	4.2
219.17381	1.5
229.19478	4.4
231.21004	2.4
233.19019	2.8
243.21104	1.4
245.22626	1.8
247.20578	2.8
271.24164	20.4
275.66940	1.4
289.25247	100.0
290.25632	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96579	12.0
60.45181	6.2
69.03429	8.5
69.17562	5.9
70.01057	6.9
72.62415	5.8
85.02901	7.4
95.04993	7.5
97.02889	8.1
98.97591	22.2
101.00881	17.6
103.00612	15.5
116.98625	13.1
119.01930	22.7
119.04918	8.4
120.02083	6.0
121.01646	50.1
123.04436	78.4
130.22444	6.2
131.01851	6.9
133.03445	14.2
133.94333	6.2
135.03217	15.0
139.02832	9.6
139.03880	100.0
143.00169	7.7
144.13870	11.1
145.03461	15.6
147.03307	6.9
147.04404	18.2
153.04218	6.4
157.03461	8.9
161.02983	23.8
163.02707	17.0
165.05542	15.7
168.03783	7.2
171.03148	8.7
171.04993	20.8
173.02968	8.8
175.04523	7.4
177.00897	17.5
189.02654	7.9
189.04192	13.1
195.57120	7.0
203.02148	9.3
217.00270	10.7
219.01834	43.4
220.02071	8.4
247.56207	7.3
249.02969	8.2
249.06587	7.5
291.00644	8.7
291.03870	14.6
291.08170	85.1
309.04770	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06045	3.2
62.54847	3.3
63.29373	3.5
69.22954	3.3
69.60221	18.2
103.00623	7.8
119.01927	4.6
121.01661	10.5
130.60449	3.4
135.03236	4.0
137.16132	4.2
161.02985	5.4
163.02725	6.1
174.96352	4.7
249.02899	4.1
269.63193	3.7
278.13663	4.0
291.10730	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0853
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02378	0.6
55.01865	2.0
55.05495	0.8
56.63935	0.5
56.96561	1.2
58.63000	0.6
60.38454	0.6
65.03933	1.4
67.05503	1.3
68.55025	0.5
68.99792	1.8
69.70077	2.7
70.06593	1.0
72.32302	0.5
77.03924	0.7
81.03394	0.7
82.85976	0.6
83.04981	1.7
91.05476	2.2
91.18481	0.6
93.03432	0.7
95.04981	2.9
97.02905	0.7
98.97582	1.8
107.04961	0.7
111.04439	3.3
115.05449	1.7
116.98635	0.8
119.01948	0.7
119.04948	7.3
121.02879	0.7
123.04436	69.8
124.04783	1.9
124.99123	0.8
127.03937	0.9
128.74602	0.5
129.07011	0.7
131.04878	0.9
133.06425	1.2
134.51561	0.6
137.02295	1.2
137.05980	1.1
139.03905	100.0
140.04239	2.3
143.00163	1.1
143.04970	2.7
147.04417	21.6
148.04771	0.6
151.03931	2.2
161.05981	7.8
163.02658	0.7
163.03946	1.2
165.05487	13.6
169.05000	1.7
177.05481	0.9
179.07074	2.8
181.04993	0.9
189.00806	0.6
189.05489	1.9
207.06544	7.2
219.01985	1.6
249.07593	1.1
273.07639	1.6
291.00552	0.6
291.03809	0.9
291.08499	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0862
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02397	0.5
52.19060	0.2
53.03954	0.3
55.01866	1.5
56.96580	0.4
58.06588	0.3
60.05654	0.3
65.03934	1.0
67.05504	1.3
67.43243	0.3
68.99789	1.8
69.03448	0.4
70.06601	2.2
71.01357	0.3
71.06822	0.4
71.07142	0.3
77.03946	0.3
77.71079	0.3
81.03408	0.3
83.04990	1.4
85.02915	0.5
91.05481	1.8
92.51453	0.3
93.03410	1.2
95.04970	2.8
97.02899	0.7
103.00581	0.3
105.03388	0.7
105.07037	0.3
107.04959	0.5
111.04453	2.6
114.05573	0.6
115.05490	1.4
116.07135	0.4
118.08665	3.0
119.04945	6.7
121.01691	0.3
121.02842	0.3
123.04431	63.0
124.04758	1.0
127.03911	1.1
128.07057	0.6
131.04895	0.5
133.06491	1.2
135.04451	0.8
137.02336	1.0
137.05954	0.7
139.03900	100.0
140.04219	1.9
143.04906	2.7
147.04407	20.0
148.04796	0.5
151.03928	2.5
151.07587	0.6
153.05489	0.8
159.04431	0.4
159.68404	0.3
161.05983	8.1
162.06398	0.3
163.03915	1.5
163.07500	0.4
165.05476	14.1
169.04901	1.4
175.11958	0.9
177.05499	0.8
179.07034	3.1
181.04840	0.7
186.91722	0.7
189.05486	2.3
205.08495	0.4
205.67236	0.3
207.06517	6.7
215.10252	0.3
249.07489	1.5
259.12778	0.4
273.07544	1.2
291.08414	4.5
291.13174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.4
53.03954	0.6
55.01870	1.7
61.09316	0.3
65.03941	1.2
67.01894	0.3
67.05493	1.0
68.99794	2.2
69.95126	0.6
69.95512	0.6
77.03934	0.5
83.04977	1.2
85.02881	0.6
91.05477	2.1
93.03397	1.4
95.04963	2.6
98.23317	0.6
105.03385	0.8
105.06977	0.5
107.04964	0.4
111.04433	3.5
115.05453	1.4
119.04945	5.5
123.04425	68.4
124.04784	1.3
127.03900	1.0
131.04915	0.5
133.06520	1.2
135.04408	0.8
137.02315	0.9
137.05954	0.9
139.03894	100.0
140.04240	1.3
143.04903	2.8
147.04407	23.8
148.04707	0.4
151.03917	2.2
153.05437	0.9
155.06061	0.3
159.04376	0.5
161.05978	9.1
163.03951	1.4
163.07552	0.4
165.04103	0.8
165.05476	13.8
169.04967	1.6
177.05446	1.1
179.07011	3.7
181.04993	0.9
185.05960	0.4
189.05469	2.1
205.08647	0.4
207.06528	7.6
229.76472	0.3
249.07567	1.4
273.07556	0.8
291.08615	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0861
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
50.74525	0.3
51.02398	0.4
53.03950	0.7
54.09994	0.3
55.01881	1.6
61.48923	0.3
65.03947	1.3
65.88663	0.3
67.05511	1.2
68.99789	1.8
69.03444	0.3
70.09972	0.3
70.83559	0.6
70.83879	0.4
77.03934	0.6
78.56969	0.3
83.04969	1.0
91.05476	2.4
93.03399	1.4
95.04990	2.9
97.02925	0.4
105.03371	0.3
105.07043	0.5
107.04977	0.5
111.04432	2.5
115.05437	1.3
119.04947	5.9
119.95469	0.3
123.04430	66.6
124.04727	1.7
127.03921	1.2
130.69589	0.3
133.06490	1.0
135.04451	0.6
137.02357	1.2
137.05991	1.0
139.03899	100.0
140.04272	2.0
143.04947	3.0
147.04411	20.5
148.04715	0.5
151.03917	2.6
151.07603	0.5
153.05408	0.8
161.04747	0.6
161.05981	8.4
163.03929	2.2
164.21828	0.4
165.05479	13.3
169.04947	1.5
177.05461	1.3
179.07007	2.7
181.04938	0.9
189.05484	1.8
204.31783	0.4
205.08600	0.7
207.04749	0.5
207.06543	6.6
231.06418	0.4
249.07545	1.4
253.52234	0.3
273.07693	1.5
291.08652	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0862
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
53.03927	0.3
53.61501	0.3
55.01875	1.4
65.03935	0.6
67.05517	1.5
68.71637	0.3
68.99782	1.8
69.48476	1.0
69.48881	0.5
72.41174	0.3
77.03925	0.5
83.04982	1.3
85.02904	0.4
91.05486	2.1
93.03392	1.5
95.04967	3.1
97.02877	0.8
99.04424	0.3
105.03391	0.9
105.07037	0.5
107.04947	0.4
111.04440	3.1
115.05470	1.1
119.04939	5.7
123.04427	69.5
124.04761	1.5
127.03944	1.4
131.04944	0.3
133.06477	1.2
135.04449	0.7
137.02351	0.9
137.05960	0.6
137.41705	0.3
139.03897	100.0
140.04205	2.1
143.04900	3.1
147.04407	21.8
147.05598	0.7
151.03908	2.6
151.07504	0.4
153.05460	0.5
154.18842	0.3
159.04468	0.4
161.05974	8.5
163.03899	1.9
165.05475	14.6
166.05846	0.3
169.04947	1.9
177.05505	1.0
179.07014	3.1
181.04889	1.1
189.05455	2.3
207.06506	6.8
214.03674	0.4
231.06622	0.4
249.07545	1.6
273.07593	1.2
291.08591	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0861
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02383	0.5
52.71954	0.3
55.01875	1.4
65.03943	1.2
65.74157	0.3
67.05500	1.2
68.99784	2.8
70.58557	0.6
72.92316	0.3
77.03903	0.7
83.04985	1.7
85.02920	0.4
91.05477	1.9
93.03404	1.1
95.04971	3.0
95.36044	0.4
97.02899	0.6
98.20135	0.3
105.03400	0.6
107.04977	0.6
111.00813	0.4
111.04430	2.8
115.05473	1.1
119.04952	6.6
121.02905	0.4
123.04427	69.7
124.04785	1.2
127.03899	1.1
131.04848	0.5
133.06482	0.9
133.29637	0.4
137.02333	1.2
137.05945	0.6
139.03897	100.0
140.04253	1.4
143.04893	3.2
147.04404	21.2
148.04765	0.6
151.03877	2.8
153.05414	0.4
161.05975	8.1
163.03912	2.2
163.07538	0.4
165.05479	14.4
169.04961	1.3
171.04405	0.4
177.05486	1.0
179.06999	2.5
181.04939	1.0
189.05426	2.1
203.07172	0.4
205.08601	0.4
207.06511	5.8
249.07533	1.3
273.07550	1.5
291.08649	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.3
51.66378	0.3
55.01876	1.8
55.05510	0.5
56.96565	0.5
65.03935	1.1
67.05502	1.8
68.99788	2.3
69.03419	0.5
69.47260	1.9
71.05018	0.4
77.03928	0.5
81.03407	0.5
81.07053	0.3
83.04534	0.4
83.04970	1.7
85.02908	0.6
90.75366	0.3
91.05476	2.7
93.03404	1.1
93.07069	0.4
95.04969	3.6
97.02859	0.8
98.22545	0.3
98.97578	1.8
99.04497	0.6
105.03383	0.8
105.07008	0.7
107.04981	0.7
111.00827	0.4
111.04439	3.5
115.05435	1.4
116.98640	0.6
119.04941	7.8
123.04421	69.5
124.04784	1.6
125.04909	0.4
127.03918	1.8
131.04929	0.7
133.06467	1.0
135.04398	0.9
137.02339	1.2
137.05936	0.7
139.03891	100.0
140.04221	2.4
143.04901	2.8
144.60036	0.3
145.06403	0.4
147.04399	22.1
148.04811	0.5
149.05952	0.5
151.03905	2.1
151.07541	0.6
153.05429	0.7
153.06847	0.4
154.34851	0.3
158.99637	0.4
160.07529	0.8
161.01285	0.5
161.05969	9.3
163.03862	2.1
165.05470	13.7
166.05821	0.6
169.04967	1.8
177.00659	0.6
177.05463	1.2
179.07011	2.8
181.04932	1.2
181.06430	0.4
189.05482	2.0
207.06514	6.8
227.11943	0.4
231.06430	0.5
249.07465	1.5
273.07523	1.3
273.12286	0.9
291.08661	3.9
291.13425	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0974
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
52.06289	0.9
62.11263	1.1
66.95232	0.9
71.04050	1.9
87.00809	1.7
88.03989	1.7
91.05479	1.2
92.88570	1.0
113.45672	1.0
115.05458	5.8
117.05752	2.2
118.06535	13.9
119.04943	1.2
123.04419	10.9
127.04002	1.0
129.07019	1.7
130.06519	100.0
131.06833	1.9
132.08087	38.5
133.08432	1.3
139.03893	20.1
140.05064	1.0
142.06519	12.9
143.07231	1.3
144.08093	16.1
146.04922	1.9
146.06003	22.4
147.04402	4.2
156.02908	1.6
156.08119	5.2
157.07603	6.3
158.06003	2.8
158.08371	5.3
159.09167	89.4
160.07593	7.8
160.09555	2.8
160.27316	1.0
165.05463	3.7
166.74223	1.1
167.06108	2.2
169.07634	3.3
170.06004	38.2
172.07520	1.8
181.07594	2.2
181.56215	1.0
182.06090	1.0
183.09145	3.5
184.07564	14.7
185.07091	41.1
186.07411	1.8
187.08673	3.2
188.07054	43.6
189.07324	1.1
199.08676	3.3
200.07033	9.8
201.10220	12.6
207.06497	1.8
209.07143	1.4
227.08136	44.0
227.38170	1.2
229.09727	2.8
231.07768	4.7
245.09201	70.3
246.09526	1.8
255.07610	4.2
273.08795	5.8
273.11349	0.9
291.09668	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1226
Annotation	Antibiotic LL-Z 1271gamma
Peak:m/z	Relative Intensity
50.79757	3.3
53.03948	4.1
55.01865	12.4
55.05505	8.7
57.03442	5.5
67.05494	9.6
69.03426	13.2
69.07065	11.1
71.01350	4.4
71.04977	6.9
75.07903	4.1
79.05499	13.8
81.03060	3.9
81.03422	48.7
81.07058	16.2
82.48203	4.8
83.04978	8.3
85.02908	47.8
85.03384	6.5
85.06594	4.0
91.05482	21.4
93.07028	13.6
94.07330	4.2
95.04971	7.2
95.08586	7.8
97.02883	16.9
97.06548	7.0
98.23438	6.6
98.97616	4.7
103.05463	11.5
105.07036	22.4
107.04949	8.7
107.08602	11.6
109.02891	8.9
111.04443	37.3
115.05451	17.4
117.07013	20.6
119.04970	4.7
119.08547	10.2
121.06522	8.5
121.10160	18.1
123.04418	24.4
125.09619	11.4
128.06210	12.8
128.46820	4.5
129.07002	22.9
131.04915	23.5
131.08577	14.6
133.06483	13.8
133.10153	21.9
135.08026	6.8
135.11726	6.7
137.05963	17.1
139.03899	27.5
141.06967	22.0
142.07860	5.8
143.04933	5.4
143.08589	10.6
143.10675	10.1
144.05667	7.1
145.06494	26.5
147.04420	12.1
147.08052	7.0
149.06009	23.9
151.07542	84.8
152.06178	9.9
155.08559	7.2
157.06480	17.8
157.10136	7.0
158.07280	8.2
159.08028	8.5
159.11668	5.4
160.05203	16.1
161.05954	20.3
162.06691	6.9
163.07544	11.9
165.05463	13.2
165.09070	4.9
167.08553	21.3
169.06480	24.3
170.07135	5.8
171.08051	22.5
173.06010	8.3
174.06696	12.0
175.07552	100.0
177.05553	18.8
177.09106	36.4
179.10658	7.3
183.08093	8.6
184.05452	4.4
185.05992	16.7
185.09560	8.9
186.06796	6.2
187.07481	18.5
188.08215	5.7
189.09050	28.5
189.16408	5.8
191.07002	13.3
191.10696	9.0
193.08611	30.0
195.08049	25.9
195.10149	10.6
197.05957	14.3
198.06728	8.6
199.07547	14.4
201.05489	7.3
201.09180	24.2
203.07018	9.7
203.10674	13.1
205.08595	9.9
211.07521	7.8
213.05499	10.7
213.09027	20.8
214.06200	5.4
215.06981	9.5
215.10643	7.0
217.08665	25.3
219.10199	4.9
223.07550	18.2
227.07021	8.9
227.10617	6.3
229.08560	33.7
231.10190	17.2
240.07956	4.7
241.08591	19.9
243.10178	5.2
245.08029	30.5
245.11787	9.2
247.09700	13.4
255.10164	12.8
259.09729	7.1
261.11096	7.9
273.11188	45.3
273.18674	6.9
291.09354	4.9
291.12354	92.6
291.19589	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.01870	4.7
55.05515	6.2
55.94067	0.8
57.03436	6.0
59.04996	1.5
61.02920	3.2
67.05508	9.8
69.03430	12.6
69.07066	37.0
70.03754	1.0
71.04988	4.9
73.04323	0.9
77.03938	1.2
79.05493	23.6
81.03413	10.8
81.07050	12.5
83.05002	1.2
83.08626	1.9
85.02914	4.5
85.06556	3.3
87.08126	2.9
87.10215	0.9
89.03905	6.9
91.05474	13.8
93.07050	11.0
95.04973	4.1
95.08611	10.0
97.06529	100.0
97.10159	1.2
98.06881	1.5
99.04463	1.7
99.08097	1.5
103.05495	1.3
105.03395	1.9
105.04536	1.0
105.07024	10.9
107.04932	5.0
107.08594	7.6
109.02891	2.9
109.06525	3.0
109.10152	4.6
111.04447	1.1
111.08064	5.1
115.05425	1.9
117.03378	9.2
117.07013	4.9
119.04939	11.2
119.08597	8.5
121.06526	1.3
121.10120	6.7
123.04410	4.7
123.11720	2.7
125.06015	1.0
125.61615	1.1
127.03908	5.1
128.06229	2.1
129.07021	4.5
129.09129	3.1
131.04861	1.1
131.08569	7.4
133.02827	7.2
133.06497	1.3
133.10117	5.0
135.04416	12.8
135.08063	2.4
135.11710	3.3
137.05965	1.5
137.09619	1.9
139.03909	6.3
141.06996	1.3
143.08566	2.9
145.02844	8.4
145.06538	1.5
145.10095	7.1
147.04402	46.5
147.11734	3.0
148.04713	1.2
149.02414	1.7
149.09657	3.1
149.13222	2.8
151.11221	1.3
153.01865	1.2
155.08604	1.5
157.06500	1.8
157.10118	3.0
159.04413	10.8
159.08058	1.5
159.11697	3.8
161.02339	36.4
161.09660	2.8
161.13295	3.5
162.02890	1.3
163.03896	59.5
163.11162	2.4
164.04289	1.5
165.05508	1.4
169.06483	1.3
169.10141	2.1
171.08040	1.3
171.11719	3.1
173.02338	69.5
173.13264	2.4
174.02693	2.4
175.11250	3.1
175.14815	2.0
177.12756	2.1
179.10548	1.2
181.10071	2.0
185.05978	3.3
185.13364	2.0
186.03127	2.5
187.07581	2.7
189.12767	1.5
191.03424	2.5
191.10648	1.3
195.11699	1.4
197.05965	1.9
197.13263	2.0
211.14966	1.5
213.09003	1.3
213.16440	2.0
215.07024	98.0
216.07455	3.5
228.10175	1.1
231.17444	1.7
233.08176	1.8
233.15442	3.0
237.16386	3.3
241.08595	7.6
245.07185	1.4
245.09489	1.3
255.17421	4.2
259.09613	8.0
273.18518	7.5
291.06476	5.1
291.08871	4.3
291.12253	5.9
291.15756	3.6
291.19601	8.7
291.23218	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.1
52.65749	1.3
53.03944	3.6
55.01872	4.2
55.05505	11.4
57.03440	5.5
57.07073	3.5
59.04985	1.9
61.02923	6.8
65.03940	1.4
66.55316	1.1
66.85846	1.3
67.05501	14.4
69.03433	3.0
69.07068	47.7
71.04984	3.0
71.30200	1.3
79.05496	26.3
79.05956	1.8
80.33437	1.2
81.03431	3.1
81.07058	33.7
83.04971	1.2
83.08611	5.4
85.02941	1.4
85.06541	4.1
86.85844	1.1
87.08112	2.1
89.03931	7.7
91.05494	10.0
93.07041	17.1
95.04975	4.5
95.08603	26.3
97.06530	100.0
97.10182	5.3
98.06888	1.5
103.05485	1.3
105.07027	7.3
107.04976	4.4
107.08597	16.1
109.06523	5.5
109.10151	12.0
111.08051	5.6
117.03408	9.5
117.06985	3.2
119.04941	1.8
119.08579	11.6
121.06519	1.5
121.10126	10.1
123.04439	5.0
123.08044	2.8
123.11717	6.7
125.09616	2.3
129.06989	1.8
129.09140	2.0
131.04887	1.5
131.08577	4.5
133.02840	7.5
133.10168	5.1
135.04413	14.9
135.08043	2.7
135.11697	7.9
137.06029	3.0
137.09631	1.9
137.13251	2.5
139.03905	8.0
143.08499	1.4
145.02858	9.7
145.10167	2.4
147.04402	4.0
147.08069	1.3
147.11661	6.1
149.09615	1.5
149.13245	5.6
151.11203	1.9
151.14832	1.3
157.06400	2.0
157.10178	2.0
159.04414	11.2
159.11713	1.8
161.02348	41.2
161.13272	4.8
163.03899	60.4
163.11148	2.6
163.14862	3.8
164.04297	2.1
171.11737	2.7
173.02341	82.1
173.13239	1.8
174.02785	1.5
175.14861	2.5
177.16408	1.8
185.05988	3.8
185.09535	1.2
186.03156	2.5
187.07587	1.6
189.16432	2.6
191.03488	2.4
195.13983	1.5
197.06026	1.5
215.07028	96.8
216.07397	3.5
217.15866	1.4
237.16133	1.2
241.08575	6.9
245.13004	1.2
259.09604	7.6
273.12411	2.4
273.18460	2.6
291.12515	5.3
291.19604	7.4
291.23206	8.7
291.26849	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01854	0.7
55.05499	1.9
57.07067	0.8
66.50319	0.6
67.05493	2.2
69.03423	1.0
69.07068	1.2
70.06594	1.0
70.52787	1.4
70.53123	1.0
79.05487	2.6
81.07063	3.5
83.04977	1.1
83.08612	0.9
91.05470	3.5
93.07016	4.2
95.04967	1.2
95.08591	3.6
97.06551	0.7
97.10172	0.7
105.07021	2.8
107.08596	2.4
109.06569	1.4
109.10144	0.9
111.04377	0.8
111.11630	0.6
117.07024	1.4
119.04916	1.0
119.08588	2.6
121.06490	0.8
121.10140	1.3
123.04414	4.6
123.08058	0.6
123.10557	0.7
123.11682	1.0
131.08565	1.0
133.06519	0.8
133.10155	1.6
135.08043	1.8
139.03900	6.1
145.10129	1.0
146.20967	0.7
147.04376	1.9
147.08104	0.9
149.09698	0.9
149.13211	0.7
150.11189	0.7
151.07535	1.1
157.10129	0.9
159.11722	1.4
161.13234	1.1
163.11183	1.0
165.05421	0.8
177.14731	1.3
217.10042	0.7
261.14728	1.6
273.18494	1.4
290.10660	0.7
290.26868	2.0
291.15671	100.0
291.27182	3.9
292.15991	3.9
292.19110	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.2
55.01879	17.8
55.05507	23.2
57.03441	32.0
57.07078	3.7
65.03921	4.8
67.05175	4.4
67.05499	51.7
69.03423	27.9
69.07056	15.1
71.04990	18.5
71.29039	3.0
79.05494	82.1
81.03417	10.1
81.06580	6.1
81.07052	84.2
83.04977	9.5
83.08607	5.2
85.06532	11.1
85.18336	3.1
87.04452	8.7
91.05479	80.0
93.07040	100.0
95.04987	17.4
95.08613	39.5
97.06534	25.2
99.08069	6.9
105.07030	68.7
107.04996	16.4
107.08592	58.3
109.06513	66.1
109.10153	14.9
111.04468	4.4
111.08090	7.7
115.05462	8.1
117.07019	44.3
119.07780	4.1
119.08576	55.6
121.06506	12.5
121.10144	43.7
123.04434	13.1
123.08049	21.6
123.11678	7.7
125.05956	5.3
125.09613	8.3
127.07561	5.5
128.06229	7.4
129.07016	20.4
131.08569	55.1
131.80101	2.9
133.06519	8.3
133.10118	40.1
135.08043	40.3
135.11681	46.3
137.05980	40.8
137.09624	17.4
139.03889	22.6
139.07533	11.8
141.06993	5.4
142.07793	5.4
143.08563	25.5
145.10097	43.6
147.04382	9.7
147.08047	14.3
147.11713	16.9
149.09604	27.1
151.02808	3.3
151.07510	5.3
151.11156	8.0
153.01707	3.1
153.09091	8.5
155.02361	4.9
155.08542	6.8
157.06538	3.9
157.08784	4.7
157.10129	19.6
159.08025	8.5
159.11681	39.4
161.09608	12.0
161.13254	32.7
163.11172	36.1
165.09123	9.2
167.08533	5.1
169.10081	15.1
171.11691	38.1
173.09569	4.2
173.13344	7.4
175.11174	17.3
175.14915	6.9
177.09052	3.9
177.12766	17.0
181.10114	7.9
183.11629	4.4
185.13235	14.9
187.11171	13.2
189.09142	4.6
189.12755	25.1
191.14270	2.9
194.10925	3.1
195.11710	6.5
199.11176	3.2
199.14786	19.6
201.12796	3.9
203.14377	5.6
205.12248	12.0
207.13705	3.8
209.13245	7.1
211.14859	7.8
213.16402	11.9
217.07565	3.3
217.15775	14.9
219.13803	7.5
221.15308	3.5
227.14223	3.9
227.17944	7.5
235.16911	7.3
237.16339	19.2
245.07257	6.0
255.17474	38.5
273.09702	3.1
273.18497	98.8
291.12695	4.3
291.15906	8.4
291.19519	98.9
291.22855	4.6
292.19778	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03933	5.2
55.01879	17.8
55.05507	23.2
57.03441	32.0
57.07078	3.7
65.03921	4.8
67.05175	4.4
67.05499	51.7
69.03423	27.9
69.07056	15.1
71.04990	18.5
71.29039	3.0
79.05494	82.1
81.03417	10.1
81.06580	6.1
81.07052	84.2
83.04977	9.5
83.08607	5.2
85.06532	11.1
85.18336	3.1
87.04452	8.7
91.05479	80.0
93.07040	100.0
95.04987	17.4
95.08613	39.5
97.06534	25.2
99.08069	6.9
105.07030	68.7
107.04996	16.4
107.08592	58.3
109.06513	66.1
109.10153	14.9
111.04468	4.4
111.08090	7.7
115.05462	8.1
117.07019	44.3
119.07780	4.1
119.08576	55.6
121.06506	12.5
121.10144	43.7
123.04434	13.1
123.08049	21.6
123.11678	7.7
125.05956	5.3
125.09613	8.3
127.07561	5.5
128.06229	7.4
129.07016	20.4
131.08569	55.1
131.80101	2.9
133.06519	8.3
133.10118	40.1
135.08043	40.3
135.11681	46.3
137.05980	40.8
137.09624	17.4
139.03889	22.6
139.07533	11.8
141.06993	5.4
142.07793	5.4
143.08563	25.5
145.10097	43.6
147.04382	9.7
147.08047	14.3
147.11713	16.9
149.09604	27.1
151.02808	3.3
151.07510	5.3
151.11156	8.0
153.01707	3.1
153.09091	8.5
155.02361	4.9
155.08542	6.8
157.06538	3.9
157.08784	4.7
157.10129	19.6
159.08025	8.5
159.11681	39.4
161.09608	12.0
161.13254	32.7
163.11172	36.1
165.09123	9.2
167.08533	5.1
169.10081	15.1
171.11691	38.1
173.09569	4.2
173.13344	7.4
175.11174	17.3
175.14915	6.9
177.09052	3.9
177.12766	17.0
181.10114	7.9
183.11629	4.4
185.13235	14.9
187.11171	13.2
189.09142	4.6
189.12755	25.1
191.14270	2.9
194.10925	3.1
195.11710	6.5
199.11176	3.2
199.14786	19.6
201.12796	3.9
203.14377	5.6
205.12248	12.0
207.13705	3.8
209.13245	7.1
211.14859	7.8
213.16402	11.9
217.07565	3.3
217.15775	14.9
219.13803	7.5
221.15308	3.5
227.14223	3.9
227.17944	7.5
235.16911	7.3
237.16339	19.2
245.07257	6.0
255.17474	38.5
273.09702	3.1
273.18497	98.8
291.12695	4.3
291.15906	8.4
291.19519	98.9
291.22855	4.6
292.19778	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.44786	1.0
53.03946	6.0
55.01643	1.0
55.01878	14.8
55.05513	32.2
57.03432	5.0
57.07077	2.1
58.40742	1.1
59.04997	1.5
65.03929	2.8
67.05505	36.9
69.03407	3.8
69.07070	19.2
70.06586	4.3
70.42742	0.9
71.04987	4.1
71.06936	1.2
71.08617	0.9
79.05492	60.8
80.05821	1.5
81.03419	9.1
81.07056	73.7
82.07382	1.3
83.04980	7.6
83.08606	10.9
85.02899	2.0
85.06535	1.6
88.07639	7.7
89.07967	2.0
91.05482	38.6
93.07043	35.2
95.04969	27.9
95.08611	21.0
97.06518	7.9
97.10168	11.8
99.04455	1.5
99.08119	2.1
102.09165	4.1
103.05474	2.2
103.09514	1.2
105.03393	1.6
105.04523	1.7
105.07027	29.1
107.04948	12.6
107.08591	21.5
109.06524	12.2
109.10157	10.7
111.04446	1.5
111.08078	4.4
113.06044	1.1
115.05451	3.2
116.06272	2.1
116.76105	1.0
117.07023	19.6
119.04942	3.9
119.08578	38.7
121.06499	18.7
121.10143	11.1
123.04436	2.3
123.08070	22.7
123.11704	1.8
125.05949	1.7
125.09639	12.2
128.06221	2.0
129.07014	8.3
130.07814	1.9
131.08560	16.5
133.06487	7.1
133.10141	9.6
135.08052	11.7
135.11665	5.4
137.09605	7.1
141.07030	1.2
143.08554	8.1
145.06491	1.9
145.10118	19.8
147.08043	23.1
147.11705	4.7
149.09624	10.7
151.07539	2.6
153.09142	4.8
155.08569	1.3
157.06422	1.7
157.10152	6.6
159.08061	4.2
159.11682	8.3
161.09634	9.5
161.13213	1.2
163.11162	15.0
165.09100	7.4
169.10065	2.0
171.10390	1.1
171.11678	5.4
173.09621	1.5
173.13286	1.3
175.11177	4.3
177.12756	2.3
179.10696	1.8
181.09950	1.1
185.09615	1.8
185.13242	2.9
189.09541	0.9
189.11221	5.2
189.12817	2.4
193.12190	6.0
195.11717	1.9
199.11269	1.2
203.14325	1.2
205.12187	1.2
207.13753	1.2
221.11729	1.3
223.13286	7.3
227.17911	3.0
228.23328	2.0
229.23543	13.5
231.13762	2.3
231.17584	1.6
237.16414	2.1
245.18996	4.3
249.14870	8.0
255.17500	7.1
273.18494	32.5
273.21442	1.7
274.18817	2.6
291.19553	100.0
291.27151	33.4
292.19888	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03958	1.6
54.60149	0.7
55.01881	1.2
55.05507	5.3
57.07088	4.1
59.04991	2.9
62.87040	0.7
67.05499	5.7
69.03403	2.0
69.07066	2.6
69.96921	1.7
69.97315	1.3
70.06595	1.4
71.04985	2.6
79.05490	7.3
81.07057	9.5
82.86142	0.8
83.04957	2.2
83.08610	3.5
85.06566	2.1
88.07619	2.0
91.05453	4.3
93.07043	10.1
95.04966	4.9
95.08598	15.1
97.06539	2.9
102.09193	1.1
105.07021	10.8
107.04943	4.7
107.08590	5.9
109.06516	5.7
109.10158	3.5
111.04416	0.8
111.08075	25.8
113.09624	0.9
115.05453	1.4
117.06991	2.4
119.08583	8.3
121.06532	1.9
121.10135	6.1
122.07289	1.4
123.08071	36.2
123.11714	1.3
129.07024	1.9
130.07845	1.1
131.08559	5.6
133.06528	2.1
133.10127	8.5
135.08049	5.5
135.11682	5.4
137.09601	3.8
139.07558	0.8
142.07823	2.0
143.08574	2.8
145.10118	9.8
147.08072	3.0
147.11653	5.4
149.09612	4.2
150.15585	0.9
151.07536	100.0
152.07870	3.4
155.10686	1.8
156.09332	1.4
157.10126	3.4
159.08055	2.2
159.11722	3.5
161.09637	3.2
161.13272	1.8
163.11162	3.9
167.10606	0.9
171.11746	2.6
173.09531	1.1
173.13214	3.8
174.10402	2.1
175.11189	3.6
175.14673	0.8
177.09065	2.6
177.12717	1.3
179.10655	5.9
183.11729	0.8
185.13274	1.3
187.11205	2.6
187.14841	1.2
189.12752	28.0
190.13190	1.5
191.10674	1.0
191.14240	3.8
192.11424	4.8
197.11713	20.3
197.13286	2.1
199.11142	1.1
203.14297	1.6
205.12294	1.1
207.13797	74.9
208.14201	3.3
213.16423	2.5
215.14383	3.1
217.12257	3.5
221.13385	1.3
228.23196	1.1
229.23537	5.3
231.17496	2.1
233.15344	13.4
235.13156	1.8
237.16429	1.0
255.17520	3.4
273.18558	6.9
285.71658	0.9
291.19583	50.2
291.27069	11.7
292.19968	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
54.46781	0.7
55.01873	1.5
55.05518	9.9
57.07067	2.1
59.04994	3.0
59.76080	0.9
67.05507	7.2
69.03423	3.0
69.07050	2.5
70.06590	4.0
71.04990	5.3
74.12183	0.8
76.28030	0.9
79.05495	14.4
81.07063	10.0
83.04980	3.2
83.08619	13.8
85.06544	2.7
91.05476	7.1
93.07050	13.9
95.04955	7.8
95.08046	1.6
95.08609	19.6
97.06512	5.3
98.22615	1.1
99.08041	0.9
105.04531	1.0
105.07034	10.3
107.04965	17.4
107.08601	12.0
108.05774	1.0
109.06527	9.5
109.10168	3.1
111.08080	43.7
113.09636	3.3
114.00086	1.1
117.07005	2.6
119.08578	11.0
121.06502	3.3
121.10126	6.6
122.07278	2.2
123.04389	1.8
123.08068	38.7
123.11720	1.0
124.08425	1.6
125.09607	3.2
127.50253	1.0
128.06232	0.9
129.06953	1.9
131.08568	8.4
133.06482	4.4
133.10127	9.4
135.08044	6.1
135.11670	2.9
137.09599	2.9
139.03915	2.5
141.05501	1.1
143.08542	3.4
145.10107	5.3
147.08023	3.2
147.11717	6.9
149.09618	10.2
151.07541	100.0
152.07840	1.8
155.10635	1.5
156.09334	1.8
157.10126	5.2
159.08073	2.0
159.11713	1.1
161.09621	4.0
163.11159	3.9
165.09102	1.4
165.45610	1.0
167.10637	1.4
171.11647	2.5
173.09641	1.6
173.13287	7.3
174.10355	1.6
175.11177	7.1
177.09094	2.4
179.10669	5.6
181.12263	2.2
187.14784	1.1
189.12756	28.3
189.16444	1.0
191.10670	2.2
191.14311	14.3
191.19557	0.9
192.11433	3.9
193.12247	2.0
197.11713	13.0
197.13289	3.1
199.10991	0.8
205.12201	1.3
207.13803	70.1
208.14069	2.5
211.13235	1.8
213.16327	1.6
215.14359	5.1
217.12245	4.1
231.17395	1.8
233.15356	40.8
234.15614	2.4
235.13364	1.7
249.18468	3.1
255.17464	2.1
269.10516	0.9
273.18521	6.9
291.10156	1.6
291.15750	9.9
291.19507	57.1
291.26859	2.3
292.19785	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.01878	1.3
55.05509	8.7
57.03442	5.0
57.06803	0.9
57.07078	18.7
60.48455	0.9
60.55991	0.8
67.05512	8.4
69.03413	1.5
69.07066	11.9
71.04980	2.3
71.08639	8.6
71.10838	0.8
79.05497	4.6
81.07060	20.7
83.01361	1.3
83.04971	3.4
83.08634	4.4
85.10168	1.6
91.05482	6.0
93.07048	9.0
95.08608	28.1
97.06536	0.9
97.10150	3.2
98.23383	3.2
99.08087	1.2
105.07043	6.0
107.04958	1.3
107.08604	1.4
109.06525	9.1
109.10159	4.1
111.04441	1.3
111.08079	1.1
114.79513	1.0
115.05453	1.0
119.08590	4.9
121.06499	4.1
121.10062	1.2
123.08070	8.1
128.06259	1.2
129.06956	1.4
131.08569	3.0
133.06499	3.4
133.10153	1.8
135.08041	3.9
135.11694	1.5
137.05978	25.5
137.09627	2.7
137.13216	1.4
138.06723	1.2
139.03900	3.0
139.07549	4.6
143.08521	2.2
145.06464	1.3
146.07315	1.1
147.08017	7.6
147.11752	1.0
149.05980	3.4
149.09654	1.5
149.13193	0.9
151.07542	69.7
151.14824	2.9
152.07887	2.3
153.12711	1.8
157.10178	1.7
159.08038	3.3
161.05983	9.4
161.09579	4.9
163.07565	0.9
165.05482	21.7
165.09106	17.0
167.07040	86.4
168.07391	2.5
171.11604	2.1
173.09538	1.3
174.06784	2.3
175.07555	9.4
175.11157	2.7
177.05449	1.0
177.09091	6.7
178.06244	2.3
179.07060	10.7
179.10631	5.7
181.08565	6.1
185.09563	1.1
188.08345	3.2
189.09117	16.4
189.12791	1.6
191.07007	5.4
191.10721	2.0
192.07764	3.8
193.08598	15.2
195.10208	1.7
202.10013	1.4
203.10658	9.3
203.14375	1.2
205.08603	1.8
205.12164	1.3
206.09444	1.6
207.10168	14.0
207.13803	1.0
213.12794	1.0
217.12207	7.1
220.11119	1.5
221.11746	5.8
231.13757	1.3
235.13263	5.1
245.19077	2.0
249.14987	2.3
255.17488	1.5
262.15735	1.1
263.16968	1.1
263.20078	3.7
273.18524	10.3
291.19543	100.0
292.19836	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03947	3.8
53.65993	1.5
55.01860	1.7
55.04216	1.7
55.05511	18.8
57.07068	3.4
57.75302	1.4
58.82388	1.3
65.03926	2.8
67.05502	37.9
67.59945	1.6
69.03420	1.7
69.07070	18.7
71.04976	1.8
75.98528	1.5
77.03896	1.4
79.05495	73.2
81.06580	3.0
81.07056	57.7
83.04963	1.9
83.08619	6.8
85.06544	3.4
90.74070	1.6
91.05486	32.6
93.07046	100.0
94.07372	1.6
95.04965	5.5
95.08606	32.9
96.08957	1.5
97.06474	1.9
97.10170	2.8
104.88432	1.7
105.04505	3.0
105.07032	18.5
107.08595	56.3
108.08895	3.0
109.06522	3.9
109.10149	13.0
117.07025	4.6
119.08575	18.4
121.10139	48.9
122.10445	2.1
123.08109	3.1
123.11700	5.7
129.07008	2.4
131.08585	6.6
133.10115	10.9
135.08044	3.2
135.11696	47.1
137.09668	2.9
145.10150	7.3
147.11691	9.0
149.09618	4.2
149.13251	31.8
157.10205	3.8
159.11722	5.0
161.13286	7.4
163.11223	3.5
163.14827	10.7
171.11694	2.5
172.57236	1.6
175.14844	6.7
177.12668	2.0
177.16333	1.8
185.13295	2.9
185.48970	1.7
189.12808	2.9
191.14270	1.6
196.92688	1.5
199.14914	1.6
203.14311	2.2
220.08939	1.9
225.18764	1.5
226.35460	1.6
231.17496	1.7
231.21153	1.6
235.16882	2.1
241.19490	4.6
248.08334	2.5
249.18599	2.2
259.20670	6.3
276.07770	2.1
291.06519	4.3
291.10159	8.3
291.20132	3.6
291.23215	55.7
291.26370	4.2
292.10934	4.1
292.23447	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06589	2.4
58.85597	2.2
69.38605	2.4
69.62936	13.2
73.12505	2.4
73.94373	2.6
98.23312	5.6
118.08670	23.8
119.01925	3.8
119.08955	5.2
123.96198	2.6
142.62901	2.4
143.01872	4.7
153.08173	2.8
155.01962	3.0
161.02898	4.8
161.99515	24.2
175.11807	5.9
231.93047	2.7
233.64519	2.8
239.56648	2.9
245.54462	3.1
293.06241	100.0
294.06754	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
57.03426	0.6
61.02934	0.3
69.00391	1.8
69.03429	3.9
71.05004	0.5
73.42059	0.2
77.03925	0.4
81.03415	2.4
81.03857	0.3
85.02915	2.3
88.71835	0.2
95.04969	0.6
97.02895	3.8
99.04459	0.6
102.03745	0.4
102.04700	0.3
103.05467	34.2
104.05822	0.6
105.04509	0.2
107.04967	0.6
109.02901	1.0
119.47656	0.2
127.03931	1.8
131.04926	100.0
132.05284	2.9
145.05037	0.2
145.06473	0.3
149.05977	2.3
149.07401	0.7
172.41447	0.2
173.06055	0.3
180.06566	0.2
181.06429	0.2
215.06963	0.3
275.09146	0.5
287.40662	0.2
293.09933	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02184	0.1
51.02385	0.3
53.03944	0.8
55.01855	0.2
57.03433	0.7
58.27308	0.1
61.02930	0.3
69.03429	4.4
70.91928	0.2
71.01353	0.2
71.04995	0.3
77.03931	0.5
79.05495	0.2
81.03417	2.1
85.02901	2.7
91.05492	0.4
95.04966	0.8
97.02897	3.7
99.04454	0.6
102.04678	0.2
103.05467	34.5
104.05805	1.0
105.04514	0.3
105.07021	0.2
107.04940	1.2
109.02882	1.0
109.04107	0.1
115.05424	0.3
117.07027	0.4
121.06545	0.2
127.03901	1.7
128.07144	0.3
129.06981	0.2
131.04924	100.0
132.05252	3.1
133.06494	0.3
141.06993	0.4
144.05716	0.5
145.04999	0.2
145.06477	1.4
147.08049	0.2
149.05981	2.2
157.06529	0.5
161.05975	0.2
161.09627	0.2
163.62486	0.1
169.06496	0.5
169.10129	0.2
171.07970	0.1
173.06001	1.9
185.05991	0.6
185.09621	0.3
187.07445	0.3
187.11157	0.2
197.06146	0.2
197.09561	0.2
203.07083	0.7
215.07071	1.1
215.10693	0.4
223.74811	0.1
233.08044	0.6
233.11748	0.2
257.11929	0.2
275.09146	0.6
293.10095	2.0
293.13437	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1171
Annotation	1-(4-Hydroxyphenyl)-7-phenyl-1,6-heptadiene-3,5-dione
Peak:m/z	Relative Intensity
51.02382	0.9
53.03942	1.1
54.58801	0.3
55.01865	1.8
55.05497	0.9
65.03921	0.6
67.05495	1.2
69.07044	0.7
69.10032	0.3
69.10379	2.5
75.46254	0.3
76.20826	0.3
77.03925	0.7
79.05497	4.2
81.03430	0.4
81.07053	4.4
83.08615	0.4
88.55991	0.3
90.64458	0.3
91.05477	5.2
93.07028	2.6
95.04964	1.6
95.08607	3.4
97.06549	0.4
97.10181	0.6
98.97571	0.7
102.04723	0.7
103.05468	34.9
103.46350	0.3
104.05768	0.6
105.04522	0.6
105.07028	25.3
106.07347	0.5
107.04951	7.9
107.08575	1.1
109.10143	1.3
115.05458	3.9
116.98620	0.5
117.07020	1.1
119.04936	1.0
121.06507	14.7
121.10134	0.7
122.06836	0.4
123.11694	0.8
125.09592	0.3
128.06207	1.3
128.31749	0.3
129.06995	0.9
130.04137	1.0
131.04926	69.2
132.05170	2.0
133.06487	100.0
134.06842	2.6
134.99670	0.4
135.04417	15.1
135.11650	0.3
136.04735	0.4
141.07031	0.8
143.04930	1.4
143.08531	0.5
144.05678	0.8
145.06474	6.8
149.05978	22.2
149.13248	0.6
150.06346	0.8
151.11182	0.3
153.06931	0.3
155.06068	0.5
156.05698	1.6
157.06496	3.2
159.04427	0.5
160.05151	2.4
161.05972	74.3
162.06303	2.0
165.06960	0.6
166.55910	0.3
167.08455	0.5
169.06549	0.4
171.08101	1.9
173.05974	6.4
174.06697	0.8
178.07851	0.4
179.08559	0.6
185.06013	5.1
186.06761	5.0
187.07478	0.9
189.06812	0.3
191.08577	0.7
192.09279	0.8
193.06488	0.3
194.05547	0.3
194.07327	0.8
195.08002	0.3
199.07544	1.0
202.07716	2.4
203.08490	0.8
205.06586	0.4
205.10052	0.4
206.07228	0.3
207.08066	2.2
207.11658	1.0
217.10123	1.8
219.07985	1.4
220.08861	4.2
221.09518	0.8
223.07535	0.7
227.08566	0.4
231.08046	0.5
233.09625	0.6
234.06726	0.3
235.07486	0.8
235.11162	7.4
235.13379	0.6
236.11707	0.5
236.64824	0.3
245.09534	3.0
246.10008	0.3
247.07576	0.8
248.08310	2.1
249.08939	0.4
251.06943	0.4
261.09174	0.4
263.10672	10.1
264.11298	0.3
275.10974	0.4
278.09436	1.3
293.11710	33.2
293.16739	5.2
293.24643	0.5
294.12061	2.0
308.36673	0.4
311.04456	0.3
311.27405	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1232
Annotation	Itoside L
Peak:m/z	Relative Intensity
55.01864	4.5
56.92501	3.3
57.03429	5.3
57.07079	13.4
61.02929	9.7
67.05505	27.5
69.03439	18.9
70.69706	3.2
70.70074	6.4
71.05004	14.0
73.02908	4.0
76.68633	2.9
81.03429	5.8
85.02910	86.0
85.06562	13.4
86.03248	3.1
87.04484	3.8
91.03966	4.5
91.05459	5.1
93.07084	4.3
95.04974	34.6
97.02898	18.4
103.05486	3.7
109.02888	5.8
113.06017	73.0
119.04949	3.3
123.04449	3.3
125.09650	3.0
127.03935	15.4
131.04950	13.1
131.07045	100.0
139.03946	4.3
145.04965	15.2
147.04424	9.8
152.07121	7.6
161.07109	34.4
211.11589	4.0
229.09822	5.5
257.09210	11.0
275.10394	4.0
275.13770	4.5
293.11209	17.9
293.14960	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1382
Annotation	40321-98-0
Peak:m/z	Relative Intensity
53.03934	0.8
55.01875	0.5
55.05512	21.1
56.56745	0.3
57.07083	0.3
59.05007	0.2
65.03934	1.9
67.05502	2.2
69.03422	0.6
69.07065	1.8
71.04984	0.8
71.28870	0.3
71.29224	0.3
73.06555	4.1
79.05499	2.0
79.42238	0.2
81.03442	0.3
81.07058	5.4
82.44788	0.3
83.04978	0.3
83.08604	0.7
84.03020	0.3
85.02914	0.3
85.06549	0.4
91.05470	3.1
91.25333	0.2
93.03410	0.7
93.07043	2.4
95.04973	0.6
95.08606	3.9
97.06514	0.8
97.10143	0.6
105.07016	1.5
107.08584	2.0
109.06488	0.7
109.10140	2.4
111.04424	0.3
111.08079	0.3
117.06993	0.3
119.04943	0.4
119.08592	1.5
121.02879	6.3
121.03938	1.0
121.06470	0.3
121.10119	1.5
123.08083	0.4
123.11695	1.1
125.05994	0.3
125.09645	0.6
128.06221	0.3
129.07010	1.7
131.08566	2.8
133.10101	0.9
135.11746	1.3
137.09605	0.6
137.13246	0.6
139.07486	0.3
143.04910	0.7
143.08617	0.4
145.10141	0.6
147.04379	0.9
147.08032	0.6
147.11659	0.8
148.04735	0.7
149.02341	100.0
149.09628	0.6
149.13304	0.7
150.02676	2.4
151.11230	0.5
155.08556	0.4
157.06453	0.5
157.10124	0.3
159.11700	0.7
161.05974	3.6
161.13284	0.8
163.11197	0.6
167.03403	1.3
169.10081	0.3
175.07549	12.1
185.05968	0.8
187.11221	0.3
189.16385	0.3
190.05031	0.4
203.07028	11.5
204.07408	0.5
221.06067	0.5
221.08081	4.7
233.09520	0.4
250.06367	0.4
275.12982	0.4
275.16568	0.4
275.20074	1.5
293.08334	0.6
293.13834	3.9
293.17273	4.1
293.21127	1.4
293.24692	0.7
294.13989	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.8
55.05516	4.7
56.96549	1.0
57.07074	1.3
59.04990	1.2
67.05501	5.9
69.03422	1.0
69.07068	6.3
69.10513	2.6
69.10938	3.6
74.41734	0.6
79.05493	3.4
81.07060	21.5
83.08624	3.3
85.06516	2.0
88.78196	0.7
91.05477	1.6
93.07040	3.8
95.04936	1.4
95.08604	15.5
97.10164	1.9
98.97581	1.9
105.07034	5.5
107.08575	3.2
109.06519	1.3
109.10162	7.9
111.08073	0.9
113.09632	1.1
116.98579	1.1
117.07065	1.0
119.08570	1.3
120.87443	0.6
121.10132	2.4
123.08060	0.7
123.11714	3.9
125.09638	1.2
131.08563	0.8
133.10121	1.9
137.13243	1.9
145.10127	0.8
149.09669	0.8
149.13248	1.3
151.14819	2.6
161.13312	0.8
163.14832	0.9
163.85692	0.7
170.77277	0.7
219.13799	1.6
275.16229	1.4
275.20078	1.9
293.17227	100.0
293.28098	3.2
294.17734	5.6
311.04370	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1957
Annotation	1-Octyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.44043	0.5
53.03946	2.0
55.01864	2.8
55.05514	0.8
57.03438	6.5
57.07067	0.7
58.12889	0.4
59.55978	0.4
61.02927	11.5
67.05521	1.0
67.60332	0.4
69.03431	19.4
69.07071	1.9
69.07681	3.5
71.04987	2.7
71.08630	1.3
71.78867	0.4
73.02924	4.7
73.22478	0.4
79.05492	0.5
81.03423	6.9
81.07058	3.4
85.02905	100.0
86.03239	1.4
87.04475	2.4
91.03947	6.2
91.05484	0.9
93.07051	1.7
95.08605	2.2
97.02894	21.2
97.06501	0.5
97.10165	0.5
98.23303	0.8
99.04447	3.5
101.59603	0.5
103.03951	0.7
105.07037	1.0
107.08602	1.2
109.02879	8.3
109.10154	1.2
115.03925	1.2
119.08544	0.6
121.10182	0.9
123.11700	0.5
127.03916	19.6
135.11699	1.0
138.94963	0.4
144.06570	0.5
145.04955	22.8
145.10197	0.6
149.02490	0.8
157.10165	0.4
159.11688	0.5
163.06007	2.3
163.14717	0.5
275.20084	1.0
293.15009	0.5
293.24820	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03949	4.6
54.41932	1.8
55.01870	9.3
55.05511	34.8
67.05505	28.0
69.03432	3.3
69.07058	8.5
79.05492	54.5
81.07050	21.6
83.04990	7.3
83.08618	15.9
91.05477	18.0
93.07036	24.0
95.04967	4.4
95.08619	8.5
97.06522	10.3
97.10166	19.5
105.07020	22.3
107.04961	30.8
107.05620	3.0
107.08592	41.6
109.06509	4.0
109.10151	12.2
111.08092	3.1
117.07034	7.0
119.08584	14.5
121.06504	3.0
121.10156	13.2
123.08064	2.5
123.11725	4.3
125.09625	24.0
131.08540	9.2
133.10130	14.3
135.08072	7.7
135.11731	3.2
145.10136	6.1
147.11708	12.9
149.09610	55.9
150.10013	3.8
152.06210	2.3
153.09109	3.5
159.11691	5.0
161.13269	5.3
163.11166	2.4
165.07008	4.9
166.07776	2.1
169.12234	3.5
171.10229	4.0
171.11618	2.0
173.11765	3.5
173.13345	3.4
176.06239	2.4
178.07750	4.3
179.04851	2.0
179.08609	3.7
181.06488	3.8
181.10133	2.0
183.11653	2.1
189.11224	22.3
193.10095	1.9
194.07283	7.0
205.06459	3.7
207.04344	2.2
207.08101	6.3
209.05833	2.1
219.08038	3.3
220.05228	2.8
221.06088	2.7
222.06804	15.1
223.03893	12.8
223.07416	4.8
229.19516	7.4
233.06003	3.3
233.13391	2.0
235.03943	3.4
235.07526	9.0
236.04730	2.6
237.05544	6.3
237.09192	4.3
247.14856	2.2
247.20566	3.4
249.05542	5.9
250.06244	24.4
251.03407	14.5
251.07048	6.0
257.19049	14.3
261.05450	4.2
262.06226	2.3
263.07040	5.8
264.07755	2.0
265.05283	9.8
265.08496	16.8
275.20047	72.2
276.20450	3.5
277.05121	2.2
278.05695	10.5
279.03134	3.5
279.06500	13.8
291.97971	1.9
293.04486	34.9
293.08087	100.0
293.11615	4.4
293.15353	6.7
293.18781	4.7
293.21277	6.0
294.05206	27.8
294.08740	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.24796	2.4
53.03935	4.9
55.01868	13.0
55.05510	34.6
55.88831	2.7
57.03425	11.5
57.07062	11.8
60.22744	2.5
65.08174	2.5
67.05504	48.0
69.06752	20.5
69.07092	19.2
71.04995	6.1
71.08635	5.1
71.28388	2.6
79.05494	46.6
81.03411	12.0
81.07057	79.2
83.05002	15.2
83.08633	16.3
85.06542	7.8
91.05485	36.4
93.07050	40.3
95.04967	23.5
95.08604	35.8
97.06516	13.2
97.10154	6.8
98.23333	6.4
99.04431	3.9
99.08089	3.2
105.07032	20.7
107.04952	11.9
107.08596	28.5
109.06493	22.2
109.10165	22.6
111.04441	24.4
111.08070	6.2
117.07011	12.8
119.08562	18.8
121.06497	8.8
121.10143	21.0
123.08083	10.3
123.11729	4.7
125.09608	6.2
129.07021	5.3
131.08563	17.5
133.10094	20.8
135.08081	3.9
135.11700	16.2
137.09622	31.7
143.08516	4.2
145.10109	12.7
147.08066	3.4
147.11703	10.7
149.09628	12.2
149.13239	4.8
151.11182	7.5
152.06165	3.1
153.09033	4.4
153.12741	5.9
157.10240	3.1
159.11700	8.1
161.13298	3.6
163.11208	8.6
165.06979	6.1
165.09099	6.3
165.12653	3.0
166.07785	5.5
173.13268	4.9
177.07021	2.9
177.12775	3.7
178.07771	7.8
179.08542	9.4
181.04973	4.3
185.13324	3.3
189.06946	3.4
191.10519	3.2
192.05701	5.2
193.06522	7.1
193.12245	3.4
194.07274	9.8
195.08040	4.5
205.06647	2.6
207.08083	11.6
209.09644	4.9
209.11646	4.3
219.07974	5.7
219.17462	39.9
220.05180	10.9
221.06013	6.8
222.06697	10.5
223.03886	5.5
223.07542	3.6
223.13300	4.0
233.09604	5.4
235.07516	29.0
237.09102	5.9
237.11258	9.2
247.07460	3.6
247.20578	15.7
249.05376	4.0
250.06281	22.0
250.09868	5.4
251.03416	8.5
251.06877	6.7
257.19043	9.2
261.09097	4.5
262.06268	3.3
262.09952	3.0
263.07065	26.3
264.07739	4.1
265.04965	4.1
265.08588	22.7
265.21521	7.2
275.20047	49.8
276.20511	3.7
278.05746	24.7
278.09412	16.8
279.06436	12.0
293.04486	14.6
293.08047	100.0
293.11627	37.2
293.21121	77.0
294.05139	12.6
294.08701	30.9
294.12027	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03935	6.9
55.01876	15.8
55.05513	92.3
57.03427	8.4
57.07079	9.5
59.04980	2.3
62.49252	1.9
65.03926	5.2
65.18734	1.9
67.05506	90.2
68.83518	1.9
69.03433	14.1
69.07066	45.3
71.04993	11.6
71.32024	3.1
79.05495	75.3
81.03427	19.7
81.07058	84.2
82.07381	2.1
83.04986	15.1
83.08619	40.4
85.02903	4.5
85.06525	5.7
91.04965	3.6
91.05484	49.0
93.06468	3.4
93.07045	70.0
95.04967	100.0
95.08607	55.6
95.09190	1.3
97.06536	14.3
97.10168	27.6
99.08092	4.2
101.05984	2.4
105.07031	44.9
107.04958	17.3
107.08595	63.2
109.06532	16.1
109.10160	37.2
111.04408	2.9
111.08069	9.3
117.07018	15.6
119.08577	38.2
121.06547	9.3
121.10141	35.4
123.08082	13.9
123.11704	9.7
125.09638	20.6
127.07572	2.6
129.06979	6.4
131.08571	18.8
133.06477	2.5
133.10130	27.5
135.08020	9.2
135.11697	13.1
137.05980	26.0
137.09613	49.6
139.11168	12.5
143.08528	4.8
145.10152	17.2
147.08049	4.7
147.11671	14.8
149.09616	31.7
149.13298	4.4
151.11197	11.8
153.09016	3.2
155.08554	2.9
155.10612	4.2
157.10135	5.8
159.08061	2.4
159.11700	10.8
161.09581	4.8
161.13211	5.5
163.11176	21.2
165.09145	3.6
165.12723	3.4
167.08537	2.6
169.10110	3.9
171.11725	3.6
173.11794	3.0
173.13242	6.6
175.11113	2.7
177.05554	2.2
177.12766	3.9
178.06274	3.0
181.05002	3.2
181.12164	2.6
183.11681	2.8
187.11166	3.9
189.11229	15.7
191.10701	4.6
193.10129	2.4
197.13254	3.0
201.12659	3.6
203.12813	5.5
204.09077	2.4
205.12247	6.3
209.11664	8.2
211.13197	3.7
215.17937	4.0
218.10796	2.4
219.11790	3.9
223.13274	27.5
229.19662	2.8
233.13181	5.4
233.15289	4.1
237.11150	12.8
237.14757	3.8
239.17894	6.9
247.20493	7.3
250.06427	3.2
257.18997	11.3
275.20062	87.8
276.20352	3.4
293.08176	3.9
293.11771	5.9
293.15274	18.1
293.21072	85.4
294.21405	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03946	2.5
55.01870	4.7
55.05507	9.1
57.03440	2.6
57.07073	6.4
67.05502	16.3
69.03394	1.6
69.06022	7.7
69.07076	7.7
69.41363	1.2
71.05000	1.4
71.08639	1.5
79.05495	13.6
81.03419	5.4
81.07051	25.2
83.04990	6.1
83.08629	3.8
85.06567	2.4
91.05477	11.0
93.07050	10.7
95.04967	7.0
95.08599	10.8
97.06555	2.4
98.92145	0.9
99.04469	1.2
105.07029	10.5
107.04973	2.5
107.08588	8.7
109.06524	8.8
109.10152	5.1
111.04454	7.9
111.08112	2.2
117.07029	2.9
119.08575	5.4
121.06512	2.8
121.10150	6.1
123.04409	1.3
123.08076	4.0
123.11714	1.3
125.09621	1.8
129.06999	1.4
131.08588	4.4
133.10133	6.1
135.08067	2.4
135.11682	4.7
137.05988	1.0
137.09622	11.4
140.06165	1.4
141.06990	1.0
145.10146	4.3
147.08086	1.2
147.11700	2.9
149.09612	5.3
149.13266	1.9
151.11185	4.4
152.06241	2.7
153.07007	1.3
153.12727	1.2
157.10146	1.0
159.11740	2.3
163.11201	2.3
165.06992	7.5
165.09241	1.4
165.12772	1.8
166.07817	4.2
167.08553	1.3
167.10669	1.7
168.05759	3.7
173.09685	1.1
173.13310	3.2
175.11255	1.3
176.06236	3.3
177.06996	3.2
177.12758	1.5
178.07770	7.8
179.08549	11.0
179.10170	1.3
180.09071	1.1
181.04974	2.4
181.06470	1.9
181.10103	2.1
181.12321	1.4
189.07072	4.9
190.07755	3.1
191.08574	1.8
191.10689	2.3
191.14305	1.1
192.05699	10.0
193.06467	3.5
194.07312	7.9
195.08047	2.8
196.05304	1.8
203.08646	1.5
205.06485	5.6
206.07129	3.4
207.04378	1.4
207.08054	19.9
208.05190	1.4
208.08624	3.0
209.05943	1.5
209.09721	2.0
209.11769	4.2
210.03990	1.1
217.06561	1.3
218.07254	3.0
219.08034	3.8
219.17479	4.8
220.05202	11.6
220.08736	2.1
221.05919	9.0
221.09566	2.1
222.06717	11.3
222.10313	2.5
223.07544	5.5
223.13374	1.7
224.08174	2.0
229.19525	1.8
231.07983	2.0
232.08823	3.1
233.06032	2.4
233.09671	2.9
234.06714	2.2
235.03963	2.1
235.07538	37.6
236.04713	1.5
236.08173	5.4
237.05534	2.2
237.09375	5.4
237.11021	5.7
238.06213	1.1
247.07625	4.9
247.11322	1.3
247.20686	4.7
248.04665	2.1
248.08141	2.0
249.05481	4.8
249.09158	2.9
250.06245	16.0
250.09904	7.3
251.06912	5.9
255.78622	1.2
257.19052	2.7
261.09116	2.5
262.06323	1.8
262.09827	2.4
263.07028	18.3
264.04489	1.0
264.07663	4.2
265.05475	1.6
265.08624	23.5
265.12247	5.0
265.21494	2.0
266.05872	1.4
266.09048	2.6
267.06473	1.8
275.20102	20.1
277.08646	1.7
278.02753	2.0
278.05762	17.7
278.09344	18.4
279.06491	12.8
279.09738	1.6
281.08105	1.3
293.04578	9.8
293.08084	100.0
293.11661	41.8
293.17960	2.0
293.21075	28.3
294.05264	8.0
294.08774	30.0
294.12109	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03945	8.0
55.01877	6.5
55.05511	26.6
57.03429	4.6
57.07071	4.0
58.43108	1.5
63.91850	1.6
65.03928	1.7
67.05505	46.7
69.03437	3.3
69.07069	34.4
69.20210	13.2
71.04996	5.7
72.25349	1.5
79.05086	1.2
79.05493	43.0
81.03412	10.1
81.07055	100.0
83.04976	6.5
83.08622	12.1
85.06536	4.9
91.05479	35.2
93.07038	28.2
95.04969	35.0
95.08610	35.7
95.09222	1.8
97.06540	7.1
97.10166	3.4
105.07027	35.6
107.04971	7.6
107.08591	18.1
109.06521	24.2
109.10148	13.9
111.08076	10.0
117.07034	7.4
119.08582	29.3
121.06513	4.3
121.10137	15.4
123.08076	23.9
123.11694	10.9
129.07019	2.5
131.08565	12.2
133.10124	17.6
135.08054	4.9
135.11731	7.0
137.05962	17.2
137.06715	1.5
137.09601	10.7
143.08575	2.7
144.09319	2.0
145.06516	2.3
145.10155	11.6
147.11682	22.3
149.09604	10.4
149.13293	3.8
151.11179	5.9
155.08524	2.9
157.10121	3.9
159.08058	2.4
159.11700	7.4
160.22444	1.6
161.13220	4.5
163.11150	7.7
165.12698	3.8
169.10175	1.7
171.11699	2.5
173.09639	2.1
173.13257	3.7
175.11180	3.2
177.12805	1.7
183.11728	3.3
185.13376	2.1
187.14941	1.6
197.13271	2.4
223.13235	2.4
229.19562	2.2
237.14888	3.1
239.18085	2.4
247.20638	4.6
250.06563	2.1
257.19022	5.9
263.07040	1.9
265.08578	3.1
275.20050	48.8
275.22995	2.9
276.20517	1.9
293.08090	6.0
293.11722	7.0
293.21063	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03935	6.3
55.01853	6.9
55.05268	2.3
55.05509	27.7
57.03437	3.7
57.07063	3.4
65.03934	1.9
67.05507	49.4
69.03418	3.2
69.07066	28.6
70.07456	1.3
70.57380	2.4
70.57703	1.6
71.04979	4.5
79.05492	45.6
81.03416	7.6
81.07056	100.0
83.04971	7.3
83.08620	13.8
84.26917	1.7
85.06530	3.0
91.05481	35.2
93.07043	30.0
95.04961	31.3
95.08047	2.9
95.08601	32.9
97.06520	4.3
97.10162	4.0
99.08051	2.3
103.05448	2.0
105.07035	34.9
107.04971	7.9
107.08594	24.7
109.06517	20.7
109.10161	20.7
111.08085	5.8
114.03540	1.6
117.07034	8.7
118.94122	1.3
119.07787	3.0
119.08592	38.9
119.09440	2.7
121.06499	6.2
121.10154	15.2
123.08089	15.8
123.11695	6.5
123.61175	1.5
125.09648	3.2
127.07542	2.1
128.06068	2.2
129.06996	2.2
131.08572	15.1
133.10133	29.6
133.11163	2.0
135.08060	6.8
135.11726	7.3
137.08594	1.5
137.09576	8.7
139.11108	2.1
141.06941	2.8
143.08594	2.4
145.06451	1.8
145.10120	12.5
147.08012	2.2
147.11696	17.8
149.09610	8.9
149.13251	5.8
151.11205	9.9
155.08531	2.0
157.10089	2.9
159.11708	9.6
161.09555	2.7
161.13232	4.4
163.11174	9.2
163.14787	2.1
165.12735	3.4
168.09241	1.6
170.91469	1.4
171.11667	3.2
173.13202	7.5
175.11235	2.0
177.12737	4.3
183.11646	1.8
191.14180	1.5
201.12711	2.6
205.12445	1.6
207.13770	1.6
213.86400	1.6
219.13719	1.8
229.19576	4.4
237.11172	2.2
237.14899	3.6
239.17900	3.3
247.20506	7.3
252.24648	1.6
257.18951	6.2
275.20053	60.3
276.20319	5.4
293.08057	3.4
293.11572	2.1
293.15814	2.8
293.21072	63.4
294.21521	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.87415	1.1
53.03944	2.5
55.01870	4.7
55.05511	15.5
56.35061	1.0
57.03432	2.2
57.07072	3.5
57.41771	1.0
67.05177	1.7
67.05507	24.7
69.03416	2.1
69.06727	1.9
69.07070	22.7
71.04987	4.0
73.33193	1.1
78.53720	1.0
79.05492	21.2
81.07053	32.2
83.04976	7.4
83.08611	4.9
91.05480	22.0
93.07033	23.3
95.04971	8.7
95.08601	19.4
97.06528	3.4
97.10151	2.9
105.07029	28.4
107.04943	7.7
107.08597	20.0
109.06514	9.9
109.10147	9.2
111.08088	2.3
115.05346	1.1
117.06986	7.6
119.08572	11.9
121.06516	10.1
121.10163	8.8
123.08064	4.9
123.11716	3.3
125.09631	1.4
129.07005	2.8
131.08568	14.2
133.06485	2.6
133.10123	17.2
134.88782	1.1
135.08025	5.2
135.11708	5.0
137.09616	4.5
141.06963	1.6
143.08543	2.5
145.10141	12.0
147.08025	2.7
147.11687	14.4
149.09598	5.3
149.13213	2.2
151.11168	6.1
152.06212	2.3
157.10115	3.4
159.08160	1.5
159.11710	5.8
161.09648	2.6
161.13248	3.0
163.11212	6.3
163.15045	1.4
165.07033	5.6
166.07805	2.5
171.11636	2.0
173.09628	3.2
173.13225	5.4
175.11224	2.0
177.07135	1.4
177.12726	3.3
178.07828	2.4
179.08572	3.3
181.06447	2.3
181.10123	1.9
183.11723	2.4
185.13249	1.5
187.14807	2.9
189.07068	1.6
190.07755	1.5
191.08534	2.2
191.14310	4.8
192.09300	1.8
193.06458	1.7
194.07324	5.9
195.08017	1.7
201.12778	3.8
202.07791	1.8
204.42188	1.2
205.06470	3.1
205.10143	1.4
205.16020	1.3
206.07143	1.7
207.08000	5.3
207.13805	3.4
209.05959	1.8
209.09642	2.8
215.14360	1.9
217.06317	1.5
218.07289	3.4
219.08020	7.6
219.13780	5.9
221.05975	4.3
221.09598	1.7
222.06700	7.5
222.10274	2.5
223.07495	2.9
229.19485	2.0
232.08887	2.3
233.05885	2.2
233.09663	3.2
233.15459	2.3
234.06720	2.8
234.10327	1.8
235.03879	1.5
235.07507	14.3
236.08174	4.5
237.05363	1.5
237.09105	4.8
239.17920	3.4
247.07590	7.1
247.11064	1.7
247.20525	3.7
248.08249	1.8
249.05391	2.2
249.09096	5.4
250.06184	10.2
250.09775	8.1
251.07031	3.5
251.10646	4.2
251.16397	10.5
257.18988	16.1
260.08319	1.3
261.09015	5.4
262.09775	5.6
263.04153	2.0
263.07047	9.6
264.07678	2.5
265.08365	14.3
265.12451	6.1
275.20050	100.0
276.20413	5.6
277.08627	2.3
278.05719	7.5
278.09268	19.9
279.06509	3.4
279.10135	11.0
292.08890	1.7
293.04501	4.0
293.08105	55.8
293.11676	56.5
293.18024	2.3
293.21066	26.7
294.05203	2.4
294.08316	7.7
294.12604	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03939	5.5
55.01871	8.8
55.05510	47.1
57.03435	8.6
57.07078	6.0
57.33444	1.0
59.04990	2.2
61.02921	5.1
65.03938	2.2
67.05504	37.1
68.55349	1.0
69.03429	17.3
69.07070	32.9
69.11200	6.6
69.11608	3.0
71.04999	11.0
71.08630	6.1
73.02905	1.9
77.13982	1.0
78.67739	1.2
79.05495	29.5
81.03418	8.2
81.07056	73.3
83.04989	8.6
83.08626	13.5
85.02904	49.1
85.03423	2.0
85.06534	4.5
87.04440	2.8
87.08044	1.2
91.03945	2.7
91.05468	21.1
93.07044	44.5
94.07356	1.4
95.04973	12.9
95.08604	64.4
95.32953	1.0
97.02873	10.9
97.03325	1.0
97.06527	8.6
97.10168	40.0
99.04467	3.3
99.08080	8.1
103.05444	2.1
105.06375	2.3
105.07036	28.5
107.04974	3.5
107.08592	41.4
108.08969	1.8
109.02881	4.0
109.06521	22.1
109.10155	33.9
111.04457	2.0
111.08095	7.8
111.11725	2.1
113.09650	3.1
115.07600	1.2
117.07011	9.4
119.08575	20.3
121.06512	9.9
121.10147	33.8
123.04439	5.5
123.08077	11.7
123.11702	16.2
125.06000	4.7
125.09632	12.0
127.03921	10.8
127.07507	1.7
129.07030	2.5
130.09750	1.1
131.04955	1.5
131.08577	17.8
133.10138	19.4
135.08055	9.6
135.11687	18.5
137.06035	1.2
137.09613	4.9
137.13257	5.6
139.07553	2.6
139.11203	5.4
142.48251	1.1
143.08534	2.0
143.10631	2.9
145.04987	9.6
145.06049	1.9
145.10106	21.1
147.11694	11.8
149.02367	1.8
149.05975	1.8
149.09615	23.3
149.13235	9.3
150.10078	1.2
151.07559	1.9
151.11205	9.5
153.09094	1.6
153.12753	3.1
155.08545	1.7
157.10120	2.9
159.08090	2.4
159.11678	15.9
161.09630	3.8
161.13254	6.3
163.06190	1.3
163.07582	3.3
163.11188	12.8
163.14867	2.5
165.09116	1.7
165.12804	5.0
167.10660	1.4
169.10114	2.3
171.11676	1.9
173.09628	2.8
173.13272	12.3
175.11075	1.3
175.14861	2.4
177.09122	5.3
177.12738	11.3
177.16412	1.6
179.10716	2.8
179.14265	2.1
181.10210	1.1
181.12202	2.4
183.11650	2.7
187.11192	2.1
187.14809	10.3
189.12810	1.4
189.16437	1.3
191.10577	1.2
191.14191	5.6
193.12285	2.9
195.13780	1.7
197.13280	2.8
201.12820	1.4
201.16402	2.2
205.12241	3.6
205.15871	2.5
215.14307	2.7
215.17953	2.4
217.16078	1.7
219.13864	2.9
219.17297	1.6
223.11354	1.7
223.13206	7.0
229.19499	5.8
233.15306	10.9
233.19017	2.7
235.16983	1.5
237.14864	13.4
239.18015	3.1
247.20612	6.4
257.19031	7.9
269.81464	1.3
275.20044	41.6
283.11179	1.2
293.08752	1.5
293.11902	2.9
293.21127	100.0
294.21384	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.02380	1.6
53.03934	4.3
53.20742	1.4
55.01876	12.9
55.05513	34.7
57.03438	3.7
57.07072	2.7
65.03944	3.6
67.05506	51.6
69.03431	2.7
69.06723	2.2
69.07071	25.9
69.07423	2.9
69.90083	6.5
71.04979	3.3
79.05495	47.9
81.03408	10.7
81.07059	70.5
83.04976	8.4
83.08622	18.0
85.06538	2.7
91.05481	37.1
93.07044	36.4
95.04961	19.5
95.08606	38.2
97.06524	13.9
97.10168	18.8
98.22726	1.9
99.08092	2.1
104.75749	1.7
105.07032	39.0
107.04955	14.6
107.08595	40.2
107.09288	3.1
109.06508	16.3
109.10160	18.8
111.08080	6.4
117.07018	8.3
119.08584	25.2
121.06483	7.6
121.10148	18.9
123.08040	11.6
123.11693	6.3
125.09634	15.9
129.06973	3.6
131.08577	16.9
133.06509	2.6
133.10130	26.2
134.10521	1.4
135.08032	8.2
135.11684	7.6
137.09621	9.9
137.13252	1.8
139.11154	2.1
143.08534	3.5
145.06444	1.7
145.10126	13.9
147.07993	3.4
147.11693	14.8
149.09607	18.3
149.13271	5.0
151.11200	9.8
157.10146	4.6
159.11662	11.8
161.13240	6.7
163.11176	9.1
163.14845	2.4
165.09081	7.6
165.12737	3.5
169.10138	3.1
171.10205	1.7
171.11600	2.9
173.09467	1.6
173.13193	7.3
175.11227	3.3
177.08882	3.5
177.12746	4.3
179.14243	2.3
187.11168	3.5
187.14783	2.4
189.11244	9.4
189.12692	1.7
191.14421	2.1
203.12747	2.2
205.12239	2.6
219.13759	1.7
229.19499	5.4
233.19246	1.8
234.99393	1.4
237.14694	2.0
239.17856	5.3
247.20667	9.5
255.50471	1.7
257.19022	16.5
275.20059	100.0
276.20447	5.7
293.11829	3.5
293.17215	27.9
293.21100	42.7
293.24426	2.9
294.21161	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
52.10461	1.4
53.03936	6.6
55.01880	19.5
55.05272	2.4
55.05514	32.6
57.03431	4.6
57.07081	15.3
59.05019	1.8
65.03939	3.8
67.05505	56.5
68.05838	1.8
68.99778	1.8
69.03416	3.4
69.07066	24.3
69.42517	9.6
71.05013	7.7
71.08622	2.7
73.98351	1.4
79.05065	3.0
79.05494	38.5
81.02974	2.3
81.03420	22.4
81.06579	3.4
81.07057	58.4
83.04976	13.7
83.08621	16.6
85.02890	1.7
85.06547	10.8
85.10161	2.6
91.04958	3.0
91.05484	33.6
93.07049	40.4
95.04971	26.5
95.08608	36.4
97.02888	4.3
97.06519	6.2
97.10179	4.5
98.22646	2.4
99.04407	1.9
105.06379	3.1
105.07034	34.5
106.07401	2.0
107.04935	14.7
107.08587	23.7
109.06532	11.9
109.10152	24.7
111.04437	12.1
111.08074	7.1
113.09622	2.9
115.05473	2.2
117.07024	8.8
119.08575	21.3
121.06525	7.8
121.10139	15.8
123.04419	4.7
123.08092	13.8
123.11697	5.5
125.09617	10.9
127.07597	2.7
129.07025	3.0
131.08575	13.9
133.06540	2.1
133.10129	26.9
135.08054	6.3
135.11697	9.2
137.09622	54.0
137.13289	1.4
139.11206	1.9
141.07047	2.5
143.08557	5.5
145.06436	2.7
145.10106	12.6
145.73177	1.5
147.11742	8.8
149.09660	9.1
149.13292	6.0
151.11186	21.9
152.06195	2.8
153.07083	2.7
153.12823	1.6
155.08598	3.8
157.10126	4.6
159.08078	2.7
159.11719	8.8
161.09613	3.9
161.13231	3.1
163.11197	11.8
163.14838	2.8
165.07014	10.1
165.09084	7.9
165.12796	3.0
166.07806	8.1
167.08464	1.6
167.10678	2.8
168.05717	2.2
169.10127	2.7
169.12230	2.6
171.11713	3.2
173.09653	3.0
173.13304	8.7
175.11229	1.6
176.06204	4.3
177.12723	4.9
177.16431	1.6
178.07784	5.9
179.04933	1.7
179.08469	4.4
179.10637	2.6
181.05006	2.5
181.06534	2.7
181.10130	3.3
181.12267	4.1
183.11719	4.2
187.11201	2.0
189.06952	2.2
191.08582	4.2
191.10394	2.4
191.14354	3.1
192.05678	2.2
193.06467	3.5
194.07286	15.8
194.10959	1.6
195.07959	4.8
195.11732	4.1
197.05949	2.1
204.05698	7.3
205.06468	13.2
206.07158	4.3
207.04437	3.1
207.08087	6.2
207.11699	2.6
207.13654	1.9
208.05122	2.7
208.12471	1.6
209.05945	2.4
209.09608	5.4
209.11601	3.3
209.13303	3.6
219.08098	8.7
219.13794	1.7
220.05199	3.7
221.05931	6.5
221.11554	2.6
222.06734	19.8
223.07581	2.3
223.11166	2.0
223.13167	2.9
229.19531	4.6
232.05217	2.5
233.05992	4.7
233.13402	2.8
234.06694	3.2
235.03902	3.2
235.07495	9.2
237.09105	11.5
237.11223	3.4
239.18040	2.9
247.07574	2.5
247.20563	12.4
249.05376	4.3
250.06244	20.5
251.06837	5.4
257.19089	7.6
261.05560	2.9
263.03738	1.7
263.06989	5.5
264.07721	3.2
265.05579	3.1
265.08551	21.5
265.21799	2.2
266.09070	3.7
275.17126	3.0
275.20074	52.0
276.20444	2.2
278.02972	2.5
278.05737	13.0
279.06409	8.6
293.04773	4.1
293.08047	100.0
293.15213	3.4
293.21127	58.2
294.05341	3.1
294.08551	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2474
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
52.36013	0.5
53.03949	1.5
55.01859	0.5
55.05510	12.5
57.03434	1.2
57.07060	2.4
59.04997	0.6
60.46713	0.5
65.03931	1.2
67.05503	28.1
67.49708	0.5
68.82059	0.5
69.03439	1.3
69.07069	15.8
69.08961	4.0
71.04992	2.0
71.08634	1.0
79.05488	12.8
81.07055	100.0
82.07379	1.6
83.04984	1.3
83.08617	7.2
85.06554	2.8
85.10209	0.6
91.05479	4.2
93.07041	16.0
95.04947	1.8
95.08604	70.7
96.08941	1.5
97.06532	3.6
97.10165	7.7
98.23384	0.8
98.97569	1.6
99.04460	0.6
99.08094	1.1
103.05444	1.7
105.07036	7.3
107.04971	1.0
107.08589	17.3
108.08911	0.7
109.06488	2.4
109.10154	39.6
109.82278	0.5
110.10509	0.5
111.08084	4.2
111.11717	4.1
113.06055	0.5
113.09666	0.6
116.98586	1.1
119.08582	4.6
121.06486	1.4
121.10143	10.1
123.08075	1.3
123.11702	17.5
125.09631	6.9
131.04944	2.8
131.08559	1.7
133.06467	3.6
133.10101	3.2
135.08046	0.7
135.11691	9.0
135.30746	0.6
137.09633	1.4
137.13255	8.3
139.11153	2.2
145.10118	1.7
147.11690	3.5
149.05954	1.4
149.09589	0.8
149.13266	7.4
151.11150	3.0
151.14812	1.5
153.12700	0.9
159.11670	1.7
161.05975	3.5
161.13242	2.8
163.11180	0.7
163.14848	3.7
165.12788	2.6
167.14339	1.5
169.12241	0.8
173.13319	0.5
175.14803	1.4
177.12679	0.5
177.16393	5.2
179.14301	1.4
187.14931	1.1
191.14194	0.7
193.15887	1.7
195.17467	0.7
200.45461	0.5
201.16354	1.0
209.15295	0.9
219.17395	0.6
219.21057	0.6
223.16875	1.1
227.70827	0.5
229.24342	0.5
237.18408	1.0
257.22650	2.2
258.23090	0.5
275.20352	0.9
275.23590	4.4
275.26608	0.8
287.72531	0.5
293.11642	2.0
293.17249	13.5
293.24731	10.4
293.28052	0.8
294.17902	0.8
294.24869	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
51.62261	0.5
53.03948	1.3
55.01868	0.8
55.05513	10.9
57.07081	2.1
59.05009	0.8
65.03939	2.2
65.30434	0.5
67.05505	94.2
68.05846	0.9
69.03435	0.8
69.07069	9.7
70.20406	0.6
71.04985	0.9
71.08627	1.0
71.31183	0.9
79.05059	1.0
79.05494	14.3
81.07058	100.0
82.07399	1.2
83.04978	1.7
83.08614	6.7
85.06556	3.1
91.05493	5.9
93.07045	14.2
94.07365	0.7
95.04955	2.2
95.08607	86.1
96.08943	1.6
97.06528	3.0
97.10164	3.6
99.08091	1.9
101.06040	0.5
105.07037	5.4
107.04961	0.7
107.08594	10.8
109.06500	1.5
109.10158	38.4
110.10516	0.9
111.04414	0.6
111.08085	1.8
111.11742	0.7
115.07565	0.8
117.07030	2.9
119.08581	5.0
121.10142	10.0
123.08067	3.0
123.11707	21.7
124.12048	0.7
124.13760	0.6
125.09642	1.3
129.09108	0.8
131.08554	6.8
133.10115	4.9
135.08055	1.4
135.11705	7.6
137.09618	3.0
137.12277	0.9
137.13257	11.7
139.11148	0.7
141.09143	1.0
145.10150	3.9
147.11684	3.9
149.09656	2.7
149.13255	4.5
151.11143	1.8
151.14813	5.6
159.11684	4.9
161.13306	3.3
163.11195	3.0
163.14796	2.6
165.12735	2.1
165.16312	1.5
169.12230	0.6
172.27055	0.5
173.13248	7.3
175.14804	0.7
177.12755	3.4
177.16374	2.9
179.14301	2.2
181.12199	0.7
187.14806	4.4
191.10789	0.6
191.14322	3.4
195.13760	0.7
201.16380	1.6
205.15897	0.9
209.11545	0.6
209.15289	1.3
214.76190	0.5
217.19763	0.7
219.17355	0.8
219.20987	1.3
223.16891	1.5
230.05560	0.5
233.22588	1.2
237.11191	1.3
237.18463	1.7
243.21092	5.7
261.22131	9.1
293.08057	0.6
293.21393	1.1
293.24722	17.1
294.24969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2837
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03942	1.4
55.01871	1.5
55.05511	20.0
57.03440	2.0
57.07072	7.8
59.05006	10.8
65.03933	0.8
67.05141	0.8
67.05506	28.5
69.03433	2.5
69.07069	30.9
71.04988	2.9
71.08630	3.4
71.30214	0.7
71.30634	0.8
79.05494	12.3
81.07058	100.0
82.07397	1.3
83.04972	1.7
83.08624	13.7
85.02921	1.3
85.06560	7.7
85.10171	1.4
87.04460	4.9
91.05496	3.8
93.07042	14.3
95.04972	2.1
95.08607	77.7
96.08945	2.0
97.06539	1.3
97.10179	9.8
98.97594	1.2
99.04494	0.8
99.08093	2.5
100.92764	0.8
105.07032	5.3
107.04963	1.1
107.08588	12.8
109.06501	2.1
109.10157	41.6
110.10542	1.3
111.08076	2.1
111.11681	3.4
113.09650	2.7
116.98645	1.1
119.08582	2.1
121.06522	1.2
121.10136	9.1
123.08104	1.1
123.11712	17.7
125.09659	4.1
125.13261	1.6
130.61670	0.7
131.08559	1.4
133.10114	2.2
135.08038	1.9
135.11702	5.0
137.13260	8.3
139.11176	0.8
145.10147	1.2
147.11674	1.4
149.02351	1.0
149.09576	1.4
149.13280	7.6
151.14821	10.6
159.11716	0.9
163.11185	0.9
163.14821	3.1
165.16391	1.7
173.11775	0.9
173.13222	1.5
177.16368	1.5
179.17902	1.0
191.14267	0.7
191.17885	1.3
193.12157	0.9
199.14949	1.0
205.17514	0.8
205.19444	1.0
219.13850	1.5
237.14856	1.3
257.18927	0.8
275.20068	3.3
275.27292	2.4
293.03308	0.8
293.08179	1.1
293.11700	2.0
293.17200	25.5
293.21133	3.0
293.24731	1.3
293.28314	13.9
294.17487	1.6
294.28748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16771	2.5
55.01867	5.6
55.05512	42.1
56.05830	3.3
56.61473	2.4
57.03426	7.9
57.07065	4.9
59.04998	100.0
65.76371	2.7
67.05502	30.1
68.05824	5.0
69.03412	6.4
69.07068	19.7
69.64240	6.6
69.64652	8.3
70.07408	3.0
71.04977	8.8
73.02913	3.8
79.05490	20.0
81.06583	3.6
81.07055	64.5
82.07376	17.7
82.07796	2.2
83.04957	4.9
83.08610	23.2
85.02895	10.0
85.06544	8.6
87.04459	34.8
91.05477	8.1
93.03411	3.0
93.07041	24.6
95.04931	3.1
95.08606	40.7
96.08916	14.9
97.02870	3.0
97.06530	11.0
97.10164	21.3
99.04425	4.4
105.07028	20.1
107.08602	25.6
108.08936	4.4
109.10168	21.3
110.10488	12.2
111.08120	3.0
119.08572	6.0
121.10157	9.4
123.08058	2.8
123.11689	8.5
124.12054	4.4
125.09615	15.4
131.08566	3.0
133.10135	3.8
135.11679	8.0
137.13197	4.3
138.13626	2.8
147.08147	4.0
147.11697	4.4
149.13251	30.8
161.13338	3.7
163.11180	3.0
163.14780	3.6
165.79086	2.7
173.11742	4.8
184.16968	8.9
203.88028	2.6
238.76936	3.0
266.21136	9.1
277.21664	7.9
294.08737	5.1
294.17719	12.4
294.20731	11.0
294.25223	3.8
294.28619	6.7
295.13260	3.5
295.20193	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	0.9
58.02951	0.3
65.03918	0.3
67.05499	1.0
69.07078	0.4
71.08617	0.5
71.30567	0.3
71.32048	0.4
71.67777	0.3
79.05481	0.6
81.07060	2.2
83.04960	0.5
91.05467	0.9
94.04197	2.8
97.10171	0.3
105.03431	0.3
107.04961	0.5
109.06528	0.7
122.03648	6.6
123.11707	1.9
127.73937	0.3
131.41032	0.3
137.05978	100.0
138.06326	1.9
158.15414	1.5
166.34782	0.3
170.15361	1.9
229.04626	0.3
238.11717	0.3
276.20386	0.5
279.11575	0.8
287.59134	0.3
294.08951	0.3
294.13712	0.9
294.20898	0.6
295.06158	0.4
295.09763	0.4
295.16992	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2064
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.01850	0.3
55.05505	0.6
57.07061	1.3
62.88495	0.3
67.05505	0.7
69.62216	1.0
69.62625	0.6
71.08614	1.2
72.99352	0.3
77.62063	0.2
79.05479	1.1
81.03371	0.4
81.07047	1.3
83.08617	0.4
91.05488	0.8
94.04179	2.4
97.10180	0.3
107.04944	0.6
109.06528	0.5
109.10144	0.4
122.03650	6.2
137.05974	100.0
138.06331	2.4
141.12755	2.6
151.11214	0.3
158.15417	1.6
170.15404	0.5
221.12933	0.3
235.10709	0.3
259.13495	0.3
265.05206	0.3
265.08487	0.3
277.21667	0.4
294.20746	0.5
295.09891	0.3
295.13181	0.4
318.63635	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01883	6.3
55.05505	6.9
57.03155	2.9
57.03436	53.0
59.04996	3.0
61.02923	17.3
64.67624	1.3
67.05488	9.2
68.87209	1.3
69.03426	62.5
69.07063	5.5
69.39506	8.2
70.03751	1.2
71.01351	9.8
71.04980	3.7
71.63136	1.3
73.02915	100.0
76.34353	1.1
78.91859	1.3
79.05482	5.9
81.03410	8.0
81.07052	15.3
82.74182	1.3
83.04945	1.7
83.08607	2.0
85.02902	83.1
85.06524	1.3
86.03242	2.4
87.04468	8.7
91.03968	1.7
91.05500	4.0
93.07043	8.1
95.04981	2.0
95.08601	11.7
96.08933	1.9
97.02890	65.9
97.06526	2.3
97.10178	3.5
98.03245	1.5
99.04445	6.2
103.03968	3.8
105.07008	6.5
107.08595	7.5
108.08898	1.5
109.02885	5.4
109.06497	3.5
109.10146	9.3
111.04426	1.3
115.03923	62.8
119.04914	1.8
119.08571	3.5
120.08926	1.1
121.06539	2.0
121.10139	5.3
123.04474	1.5
123.08080	1.6
123.11710	2.6
125.09602	2.4
125.26129	1.2
126.83938	1.2
127.03913	15.3
129.06946	1.4
131.08487	1.9
133.04962	25.5
133.10150	4.5
135.08066	1.6
135.11652	3.3
136.76076	1.2
137.09566	1.8
137.13222	1.4
139.11148	1.4
145.04948	13.9
145.10092	2.6
146.84882	1.3
147.04413	4.0
147.11685	2.4
149.09592	1.6
149.57544	1.4
159.11765	1.5
161.13252	1.7
163.06015	3.5
189.12727	2.0
207.08141	1.4
225.16357	2.0
241.07022	4.2
259.08234	2.0
277.21631	3.1
295.06326	1.9
295.09976	4.8
295.18289	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1025
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03947	1.4
55.01875	20.2
57.03441	34.9
59.05000	5.9
61.02935	15.8
64.16920	0.9
67.05495	1.2
69.03434	39.2
69.07069	1.6
71.01358	8.1
71.04998	2.2
71.29693	0.8
73.02922	46.8
79.05511	2.4
81.03429	6.1
81.07075	1.7
83.04992	1.8
84.04517	6.5
85.02911	100.0
86.03231	1.5
87.04473	8.3
87.08123	1.7
91.03966	5.0
91.05480	4.1
93.07032	2.8
94.04057	1.8
95.04990	1.5
95.08616	1.5
97.02900	40.5
99.04446	5.4
99.06446	0.9
101.02361	1.4
103.03953	7.5
103.05513	1.7
105.07043	3.4
107.04942	2.0
107.08624	1.6
109.02872	9.1
111.04411	1.1
115.03933	30.0
115.07547	1.1
117.06948	1.1
119.04958	1.5
119.08598	1.3
120.08113	17.6
121.06540	1.4
121.10183	1.0
123.04463	2.2
123.06723	2.2
127.03053	1.8
127.03925	22.2
130.04977	1.3
131.04904	2.4
131.08527	1.1
132.05219	1.1
133.04968	44.1
133.10146	2.1
134.05275	1.2
135.08034	2.3
135.11621	1.2
136.07596	2.0
143.08513	1.5
145.04967	21.5
147.04381	1.4
149.06042	1.5
149.09601	1.9
150.07762	63.3
151.03973	1.5
157.05104	1.0
161.05951	1.2
161.09668	1.5
163.03947	1.5
163.06023	4.6
163.07491	1.3
163.11197	1.1
165.06992	2.7
166.08629	7.4
169.36438	1.0
173.09634	1.1
177.09178	2.0
186.09138	1.9
199.06152	1.3
216.73642	0.9
221.05977	28.9
222.06328	1.4
223.06082	1.4
241.07062	2.1
249.05463	14.3
265.10764	1.2
267.06662	2.3
277.04932	3.7
277.11749	2.1
277.14606	1.3
278.10825	1.1
285.07547	1.9
295.05991	29.0
295.09167	1.5
295.12338	3.0
295.15717	2.7
296.06281	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01870	20.7
57.03437	40.7
59.04995	4.6
61.02927	17.0
63.26709	0.9
69.03426	41.3
70.65837	1.3
70.66167	0.8
71.01340	7.7
71.04976	1.1
73.02915	53.1
74.03230	0.9
77.02395	1.0
81.03419	5.2
85.02902	100.0
86.03224	1.4
87.04453	6.0
91.03946	4.0
93.07033	1.0
95.04950	1.1
97.02888	47.8
98.03250	0.8
99.04459	3.5
103.03941	7.0
109.02867	7.1
111.04437	0.8
115.03920	31.2
127.03912	20.4
133.04958	54.3
145.04948	25.8
157.05038	1.2
162.35358	0.8
163.06023	3.8
169.04939	1.1
175.11166	0.8
181.05058	1.0
193.04919	1.2
195.06706	0.8
199.06003	1.1
223.05960	1.5
241.07047	3.0
259.08304	1.0
278.75131	0.9
295.15958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03939	2.5
55.01883	6.3
55.05505	6.9
57.03155	2.9
57.03436	53.0
59.04996	3.0
61.02923	17.3
64.67624	1.3
67.05488	9.2
68.87209	1.3
69.03426	62.5
69.07063	5.5
69.39506	8.2
70.03751	1.2
71.01351	9.8
71.04980	3.7
71.63136	1.3
73.02915	100.0
76.34353	1.1
78.91859	1.3
79.05482	5.9
81.03410	8.0
81.07052	15.3
82.74182	1.3
83.04945	1.7
83.08607	2.0
85.02902	83.1
85.06524	1.3
86.03242	2.4
87.04468	8.7
91.03968	1.7
91.05500	4.0
93.07043	8.1
95.04981	2.0
95.08601	11.7
96.08933	1.9
97.02890	65.9
97.06526	2.3
97.10178	3.5
98.03245	1.5
99.04445	6.2
103.03968	3.8
105.07008	6.5
107.08595	7.5
108.08898	1.5
109.02885	5.4
109.06497	3.5
109.10146	9.3
111.04426	1.3
115.03923	62.8
119.04914	1.8
119.08571	3.5
120.08926	1.1
121.06539	2.0
121.10139	5.3
123.04474	1.5
123.08080	1.6
123.11710	2.6
125.09602	2.4
125.26129	1.2
126.83938	1.2
127.03913	15.3
129.06946	1.4
131.08487	1.9
133.04962	25.5
133.10150	4.5
135.08066	1.6
135.11652	3.3
136.76076	1.2
137.09566	1.8
137.13222	1.4
139.11148	1.4
145.04948	13.9
145.10092	2.6
146.84882	1.3
147.04413	4.0
147.11685	2.4
149.09592	1.6
149.57544	1.4
159.11765	1.5
161.13252	1.7
163.06015	3.5
189.12727	2.0
207.08141	1.4
225.16357	2.0
241.07022	4.2
259.08234	2.0
277.21631	3.1
295.06326	1.9
295.09976	4.8
295.18289	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1023
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03949	1.6
53.62310	1.3
55.01878	20.5
57.03158	2.0
57.03439	36.7
59.04999	5.3
61.02930	12.8
62.06685	1.6
69.03432	44.8
70.60517	4.0
71.01341	8.4
71.04989	1.8
73.02915	41.5
74.71104	1.2
81.03420	8.7
85.02904	100.0
87.04458	12.8
91.03980	2.7
97.02890	50.6
99.04451	6.2
103.03934	6.6
109.02882	8.9
115.03928	34.1
127.03917	18.1
133.04962	53.2
145.04958	25.8
147.90210	1.6
163.06024	4.9
223.05968	2.0
241.07056	2.5
259.08121	1.8
295.05966	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30992	0.5
53.03946	1.5
55.01875	18.5
57.03437	36.1
59.05005	5.3
61.02928	16.6
62.81139	0.5
67.05497	0.6
69.03431	42.0
69.07061	0.6
69.36852	0.6
69.79345	2.1
71.01352	7.9
71.04980	1.7
73.02917	49.4
79.05492	0.6
81.03418	5.5
81.07041	0.6
83.01339	0.9
85.02905	100.0
86.03249	1.1
87.04465	7.7
91.03977	4.2
97.02891	45.9
98.03246	0.8
99.04456	4.3
101.02373	1.2
103.03934	5.7
109.02880	7.4
111.04427	0.5
115.03929	30.1
116.04173	0.5
123.04406	0.8
124.07622	0.9
127.03920	21.2
128.04279	0.6
133.04962	54.9
134.05302	1.2
145.04956	23.2
151.03862	1.0
163.06018	4.6
169.04953	0.9
170.13373	0.5
193.05032	1.2
199.06006	1.7
211.06026	1.2
223.06013	1.1
225.87407	0.6
229.63628	0.5
241.07108	2.5
243.20056	0.6
259.08014	1.3
295.10327	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.0
53.76188	2.4
55.01864	10.6
57.03437	36.2
59.05014	2.7
61.02921	11.9
69.03434	72.3
69.41553	10.9
69.41965	4.4
71.01357	8.0
71.04977	3.8
73.02921	34.0
79.05510	6.1
81.03406	15.4
81.07069	3.2
85.02907	100.0
87.04477	23.7
91.03947	3.7
93.07050	5.2
95.04987	4.2
97.02888	55.9
99.04449	12.4
103.03943	8.6
109.02847	6.0
115.03936	44.5
115.18809	2.6
116.35190	3.3
119.08517	2.6
121.10231	3.2
124.07628	3.5
127.03915	16.2
133.04961	57.4
133.82155	2.7
135.04427	4.0
145.04915	17.2
163.06068	4.2
163.11258	3.4
169.04935	5.5
221.05963	7.9
241.07222	4.2
259.08008	3.9
276.77591	3.5
295.06006	8.9
295.15540	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80340	2.1
53.03931	3.3
55.01870	13.7
55.05500	2.4
57.03436	39.9
57.73640	2.2
59.04998	4.8
61.02929	11.5
67.05492	2.8
69.03429	58.8
69.07027	2.9
71.01348	7.9
71.04967	2.6
73.02912	47.6
81.03403	8.8
81.07059	2.9
83.04976	2.3
85.02904	100.0
87.04455	11.3
91.03944	4.4
91.05476	3.5
93.07032	4.0
95.04918	3.3
95.08601	3.2
97.02892	57.9
99.04449	8.7
103.03940	6.9
105.07024	5.6
107.08601	3.2
109.02855	7.5
111.04423	2.9
114.16574	2.0
115.03927	33.2
117.06903	2.0
119.08556	4.0
121.06465	2.3
121.10204	2.4
122.43597	2.1
124.07617	3.4
127.03902	22.5
133.04973	45.9
137.06004	2.1
145.04977	26.0
169.04922	3.1
181.05028	2.5
277.09036	2.8
295.06055	6.3
295.09677	4.1
295.15305	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1023
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01876	18.2
55.05511	6.0
57.03438	36.3
58.75323	3.8
59.04993	6.1
61.02934	19.4
61.03182	3.5
67.05492	6.0
69.03432	46.3
69.07056	8.2
71.01347	8.8
73.02917	46.2
79.05494	8.1
79.60804	3.3
81.03414	5.9
81.07051	10.2
85.02903	100.0
87.04468	9.2
91.03954	3.6
91.05475	9.3
93.07030	9.9
95.08604	12.4
97.02345	6.2
97.02888	48.4
99.04440	7.3
105.07018	7.8
107.08566	4.4
109.02852	5.9
109.06544	4.1
109.10103	6.2
115.03929	29.4
119.08559	6.9
121.10175	4.6
127.03883	17.2
131.04948	6.5
133.04950	52.4
135.08034	6.0
135.11674	4.4
137.06013	7.8
145.04973	20.2
145.10075	4.9
163.06184	4.2
163.07549	4.4
183.49184	3.6
211.92484	3.8
265.87234	3.5
295.06259	3.6
295.09720	13.7
295.13254	8.9
295.20419	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03947	3.6
55.01874	21.5
55.05506	7.0
57.03437	38.3
59.05014	4.1
59.48795	2.1
61.02923	15.3
67.05506	14.3
69.03430	43.4
69.03771	4.2
69.07063	6.5
70.25478	6.0
70.25878	4.9
71.01348	10.1
71.04994	4.5
71.13470	2.2
71.27811	2.2
73.02914	57.9
79.05511	5.8
81.03405	5.4
81.07051	20.6
85.02905	100.0
85.06526	2.5
87.04477	9.4
88.33282	2.6
91.03946	2.8
91.05488	7.0
93.07042	13.3
95.08608	13.0
97.02886	43.7
99.04475	5.2
103.03951	5.4
105.07030	9.5
107.08591	10.5
109.02856	7.7
109.06561	2.7
109.10161	8.1
115.03929	33.8
119.04948	9.7
119.07805	2.9
119.08595	6.6
120.35160	2.3
121.10147	8.8
123.04387	2.9
123.08031	2.4
123.11716	6.6
127.03930	19.4
128.06310	2.5
131.08553	3.2
133.04961	45.4
133.10150	6.0
135.11700	2.3
145.04951	22.0
145.10193	2.6
147.04408	33.9
149.13229	3.7
157.99414	2.2
163.05998	5.1
197.08089	3.2
218.08116	3.8
251.14851	2.6
295.06158	3.2
295.18805	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1023
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03939	5.0
53.39265	3.3
55.01874	17.9
55.05497	10.7
57.03444	38.3
61.02918	11.1
67.05498	6.8
69.03430	57.4
69.07076	27.2
71.01342	9.7
73.02921	51.5
79.05513	7.4
81.03407	15.4
81.07058	20.1
83.04985	6.0
85.02900	100.0
87.04455	10.4
91.05531	4.0
93.07038	10.8
95.04986	4.7
95.08619	20.2
97.02890	50.4
97.06540	4.8
97.10201	5.1
98.23375	6.9
99.04482	7.9
103.03944	6.9
105.07011	8.9
107.08556	9.6
109.02888	13.6
109.06489	8.6
109.10146	10.3
111.08092	3.5
115.03926	36.7
117.07025	3.5
119.08595	5.9
121.06537	4.5
121.10095	8.3
123.11715	5.5
127.03931	25.6
133.04987	45.9
133.10100	4.1
137.06026	4.0
143.08539	5.0
145.04976	25.0
151.11218	10.1
163.06052	4.9
178.31932	3.3
183.11606	4.9
213.12682	3.5
214.77991	4.2
295.14758	4.6
295.17380	7.4
295.20267	6.1
300.10114	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1023
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03935	1.2
55.01872	18.5
57.03437	36.5
57.21022	0.8
59.04996	4.9
61.02925	16.1
67.52541	0.8
69.03426	42.1
69.39973	3.1
69.40377	1.5
71.01363	9.0
71.05003	1.5
73.02916	47.9
78.89164	0.6
81.03414	7.1
83.04967	1.6
85.02903	100.0
86.03267	1.6
87.04466	7.3
91.03957	4.2
91.05479	1.1
95.04948	0.8
95.08585	1.0
97.02890	45.4
99.04462	4.2
103.03939	6.9
109.02869	7.3
115.03925	31.5
115.04744	1.5
115.37369	0.8
119.04935	1.0
124.44469	0.7
127.03922	21.3
129.44594	0.7
133.04959	50.3
136.93492	0.9
142.37900	0.7
145.04958	21.8
147.04413	1.1
151.03923	1.3
151.50798	0.7
163.06013	4.0
174.18593	0.8
199.06021	1.2
241.07045	1.8
295.09671	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.2
55.01868	6.8
55.05515	3.9
57.03438	29.2
61.02909	3.7
61.20404	2.2
61.41397	2.4
67.05517	7.4
69.03431	100.0
69.07065	3.3
69.17210	21.9
71.01357	2.6
71.04991	4.0
73.02916	11.9
75.04494	3.9
80.64996	2.2
81.03423	20.2
81.07066	6.6
83.04991	2.9
84.34254	3.2
85.02427	4.8
85.02908	63.0
87.04473	43.1
91.05490	3.8
93.07047	4.6
95.08582	4.4
97.02898	57.2
97.06514	3.1
99.04453	11.8
99.60468	3.0
103.03945	8.7
105.07082	2.9
107.05032	3.2
109.02871	3.8
111.04425	4.0
115.03934	49.0
121.06480	4.5
121.10116	2.8
123.04443	4.6
123.11707	2.9
127.03960	13.2
133.04971	55.4
141.68697	2.5
145.04951	19.5
152.64812	2.8
161.04460	3.5
163.07626	4.6
169.04907	6.5
176.14331	5.6
188.71339	2.6
211.05966	3.1
241.07028	4.5
254.95734	3.0
258.35046	3.1
277.09348	5.7
295.06061	3.0
295.10245	3.5
295.18646	4.8
296.19989	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.01867	0.6
57.03432	1.1
57.04551	1.1
61.02926	1.6
65.88077	0.2
69.03436	3.6
69.07059	1.5
69.53613	1.5
70.16427	0.2
71.01367	0.2
71.05014	0.4
73.02911	0.8
81.03389	1.3
84.04505	0.8
85.02909	15.0
87.04478	0.6
87.08107	2.3
87.23893	0.3
91.03952	0.6
91.05472	0.4
94.04056	3.1
96.05614	0.4
97.02901	3.6
98.02055	0.2
99.04450	0.8
109.02866	1.0
109.05168	0.4
112.05081	0.4
115.03928	0.8
120.08092	1.8
123.06702	2.9
127.03922	2.6
130.04939	0.3
133.05032	1.1
135.05470	0.6
136.07600	0.7
145.04962	2.9
148.06212	0.5
150.07756	100.0
151.06287	0.3
151.08224	1.7
166.08714	0.7
181.04924	0.6
247.06027	0.4
251.05629	0.3
277.08447	0.3
278.11383	0.6
295.06058	0.6
295.11563	2.5
319.17465	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01863	2.2
57.03435	6.4
57.04546	1.0
59.05002	0.9
59.65933	0.6
61.02929	5.5
69.03435	11.7
69.03799	0.6
69.07069	3.8
70.78664	1.8
71.01344	1.1
71.05000	1.0
73.02926	5.3
77.94843	0.6
79.44930	0.6
81.03429	3.8
83.04990	0.7
85.02907	51.5
85.96270	0.6
86.03233	0.6
86.94614	0.7
87.04465	1.5
87.08108	8.1
89.16924	0.6
91.03950	2.7
92.25858	0.6
94.04033	2.8
97.02895	15.3
99.04456	1.7
101.06023	0.8
103.03944	0.9
103.22711	0.7
105.07061	0.9
105.48365	0.6
109.02876	3.7
115.03940	2.6
115.07584	1.7
119.03590	0.8
119.04969	0.7
120.08100	1.7
123.06676	2.4
127.03937	8.7
132.08112	0.8
133.04985	3.9
135.05386	0.7
145.04971	9.1
147.04509	1.2
150.07755	100.0
151.08092	1.1
163.03801	0.8
163.06062	1.6
165.07001	0.7
166.08723	0.7
168.63893	0.7
177.14900	0.7
181.04974	2.0
193.05023	0.9
221.06075	1.7
247.06067	2.4
277.11981	0.9
278.11307	1.4
295.06030	2.1
295.11459	1.3
309.95206	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.0
55.01876	6.4
55.05490	0.8
57.03439	13.3
59.05001	1.8
61.02927	12.8
61.55000	0.8
69.03433	26.2
69.07073	9.9
71.01358	2.7
71.04994	2.3
71.29994	1.0
73.02921	12.9
79.05516	0.9
81.03419	6.1
85.02908	100.0
86.03259	1.6
87.04453	2.0
87.08113	10.1
91.03962	5.5
91.05489	1.8
94.04039	1.1
97.02903	27.0
98.03254	0.9
99.04462	5.4
101.02393	0.9
103.03970	2.2
105.07011	1.7
107.04917	1.2
109.02885	8.7
109.06486	1.0
115.03927	8.6
121.10139	1.0
123.11715	1.0
127.03914	18.8
129.06995	1.1
131.04930	1.2
133.04965	11.0
133.10150	2.5
145.04964	21.2
145.06190	1.4
150.07761	34.8
151.08142	0.9
163.06055	3.0
165.06990	1.9
190.03224	0.9
195.36894	0.8
207.72064	1.0
221.05974	5.4
249.05533	2.5
267.06717	1.3
277.05023	1.9
292.98016	0.9
295.05911	6.8
295.12466	1.4
295.15823	2.5
295.77667	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03943	9.7
55.01868	17.6
55.05510	43.8
57.03426	4.9
57.07071	9.0
67.05506	100.0
69.03416	6.0
69.07065	29.9
70.60152	4.8
70.60555	5.0
71.04981	3.6
71.08633	61.6
79.05495	50.8
81.03421	19.9
81.07059	62.7
83.04977	19.3
83.08627	23.2
85.06536	6.4
91.05479	37.3
93.07050	54.8
95.04968	18.4
95.08607	42.6
97.06538	20.2
97.10175	23.2
99.08091	47.5
103.69753	2.2
105.07040	24.4
107.04928	5.7
107.08590	43.9
109.06516	8.1
109.10151	32.2
111.08081	8.1
117.07017	8.1
119.08589	14.5
121.06501	3.3
121.10156	19.4
123.11729	5.6
125.09617	19.8
128.91956	2.7
129.06999	5.1
130.45303	2.7
131.08585	6.9
133.10135	13.9
135.08081	5.5
135.11687	23.9
143.08569	3.6
145.10118	8.7
147.11679	15.5
149.13258	17.6
151.11189	42.7
153.12817	3.0
157.10226	4.1
158.21245	2.7
159.11737	2.9
161.13240	22.5
163.11208	17.1
163.14807	8.0
165.12738	7.4
171.11656	7.9
173.13249	7.6
175.14806	3.9
179.14326	15.6
185.13228	5.7
189.11191	9.0
189.12752	5.1
193.16096	3.2
207.13788	4.3
210.91209	2.9
231.21048	5.5
241.19466	9.7
249.22202	3.9
259.20541	13.1
277.21667	76.0
295.06079	4.9
295.09592	5.6
295.17120	4.7
295.22888	12.6
296.25644	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03939	9.6
55.01876	50.8
55.05511	64.8
57.03429	6.6
57.07083	10.9
59.04987	2.8
65.03951	3.2
67.05506	96.9
69.03419	6.0
69.07069	40.2
69.53080	12.1
71.04987	7.4
71.08632	30.9
79.05489	62.2
81.03423	24.0
81.07055	84.8
83.04992	23.4
83.08619	37.1
85.02922	3.7
85.06538	8.2
85.10188	6.6
91.04966	3.7
91.05486	45.2
93.07042	64.3
94.07369	2.7
95.04977	24.0
95.08607	72.8
97.06532	24.6
97.10165	18.7
99.08096	28.9
105.07037	41.6
107.04987	5.3
107.08599	39.3
108.08973	2.6
109.06506	11.0
109.10152	31.7
111.08077	39.1
113.09645	9.0
117.07042	5.4
119.08598	26.3
121.06514	2.9
121.10141	24.7
123.08054	11.3
123.11667	12.3
125.09630	17.2
129.07021	5.4
131.08546	10.8
133.06473	3.6
133.10118	23.6
135.08084	8.8
135.11694	21.7
137.09612	17.3
137.13254	3.8
139.11176	11.6
143.08578	8.8
145.10127	16.6
147.11687	26.7
149.09622	6.4
149.13258	18.1
151.07571	3.1
151.11176	29.3
153.12756	3.9
157.10138	4.8
159.11707	4.9
161.13252	17.8
163.11182	10.6
163.14822	5.0
165.03696	3.3
165.12776	19.8
167.14304	3.4
171.11739	6.8
173.13283	4.4
175.11208	3.8
175.14847	6.9
177.12828	2.4
177.16451	2.4
179.14330	12.1
181.12251	4.7
185.13283	5.2
189.11188	7.7
189.12697	4.4
193.15910	2.8
195.13795	4.6
199.14787	3.6
201.12750	2.7
203.14265	2.4
207.13857	4.6
221.15381	6.2
231.21095	6.7
235.17120	2.5
241.19527	8.7
249.22195	13.6
259.20599	14.3
277.18597	4.9
277.21628	100.0
278.21982	5.7
295.09589	4.4
295.13370	3.0
295.17206	3.4
295.22696	60.4
296.23254	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9(S)-HOT
Peak:m/z	Relative Intensity
53.03935	7.8
55.01875	19.7
55.05512	66.4
57.03438	11.8
57.07074	13.0
58.14463	2.2
59.04986	2.7
65.03945	3.4
67.05507	80.3
69.03430	9.2
69.07069	50.1
69.29749	13.7
71.04987	7.2
71.08624	13.3
79.05492	68.5
81.03413	8.0
81.07054	100.0
82.07372	1.9
83.04979	29.8
83.08614	28.8
85.06545	6.4
85.10175	5.3
91.05478	51.5
93.07043	76.3
95.04970	29.9
95.08604	60.8
97.06541	22.8
97.10146	14.1
99.08107	9.8
105.07036	40.4
107.04960	2.5
107.08588	34.5
109.06516	11.0
109.10166	23.6
111.08077	12.9
111.11695	2.6
113.09668	2.5
117.07009	9.1
119.08567	22.2
121.06509	3.1
121.10143	29.3
123.08074	11.0
123.11703	7.9
125.09615	7.1
129.07002	8.9
131.08563	15.0
133.06499	3.3
133.10136	29.7
135.08002	2.6
135.11696	21.9
137.09618	5.7
137.13185	4.7
139.11166	21.7
143.08569	4.9
145.10144	5.4
147.08064	4.7
147.11687	18.6
149.09668	2.9
149.13255	13.9
151.11189	11.0
153.12740	5.8
157.10118	10.1
159.11710	8.3
161.13264	11.2
163.11200	4.4
163.14825	4.9
165.12794	10.9
171.11751	5.4
173.13295	4.0
175.11217	8.8
175.14810	6.0
177.12674	2.1
179.14249	3.2
185.13245	5.8
187.14798	2.3
189.16292	3.0
193.12239	7.2
207.13904	4.6
221.15384	7.6
224.08344	3.0
231.21071	4.6
237.05438	3.4
241.19566	6.1
249.22130	6.6
252.07848	5.9
259.20602	8.0
264.07983	2.3
267.10159	5.9
277.21606	81.3
277.24579	4.1
278.22031	6.4
280.07336	4.4
295.06247	4.2
295.09689	17.2
295.13080	4.2
295.22690	93.9
296.10114	2.2
296.23068	3.8
307.11377	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9(S)-HOT
Peak:m/z	Relative Intensity
53.03947	6.8
55.01867	10.9
55.05513	52.8
56.51940	4.1
57.03432	12.0
57.07083	16.5
65.03953	3.5
67.05508	88.7
69.03437	8.5
69.06734	3.7
69.07076	43.5
71.04988	10.3
71.08641	10.1
71.30780	5.1
73.06558	4.8
79.05499	63.7
81.03419	11.7
81.07060	100.0
83.04993	34.7
83.08619	25.1
85.06559	7.1
89.20425	3.2
91.05483	47.5
93.07047	69.5
94.07384	3.2
95.04967	38.9
95.08607	66.1
95.09139	2.8
97.06525	20.4
97.10165	14.3
99.08103	6.2
105.07027	36.4
107.04932	3.8
107.08605	33.7
109.06499	12.5
109.10179	25.9
111.08080	8.5
113.09660	4.4
117.07058	7.4
118.44382	3.8
119.08598	21.4
121.06484	4.3
121.10139	31.4
123.08046	8.9
123.11746	9.5
125.09671	7.1
129.07024	9.3
131.08562	14.2
133.10149	18.9
135.08072	6.2
135.11673	16.1
137.09628	9.2
139.11148	27.2
142.07849	4.8
143.08551	5.8
145.10138	12.0
147.11696	18.9
149.13283	15.6
151.11191	5.9
153.12781	5.1
156.09435	3.6
157.10182	14.1
159.11710	3.7
161.13210	16.9
163.11298	4.0
163.14908	3.6
165.12761	13.7
169.10150	3.9
171.11703	9.9
173.13249	5.1
175.14809	6.6
179.08578	4.6
179.14348	5.4
181.10185	3.9
183.11748	6.1
193.10124	4.9
197.13383	4.5
207.11736	6.7
207.13828	5.8
209.05833	3.7
209.09630	4.5
220.12483	4.5
221.06068	3.5
221.13239	6.7
221.15414	6.1
222.06802	3.7
231.21138	5.1
235.14877	5.9
237.09248	7.1
249.16451	7.2
249.21957	5.9
252.04100	3.5
252.07777	7.4
253.04941	3.5
259.20609	10.7
265.04919	9.0
265.08423	4.7
277.16278	5.0
277.19012	6.5
277.21667	69.8
279.06592	4.2
280.03967	4.1
280.07288	13.6
281.04318	5.0
295.06012	21.9
295.09650	45.3
295.16949	30.7
295.20026	3.6
295.22894	68.0
296.06699	4.2
296.10092	4.4
296.23184	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	Colneleate
Peak:m/z	Relative Intensity
53.03939	5.3
55.01869	10.6
55.05512	59.6
57.03437	10.9
57.07080	13.0
57.20578	1.1
59.04997	2.2
65.03936	3.6
67.05506	94.8
68.05846	1.4
69.03427	7.5
69.07069	51.9
70.01932	4.4
71.04995	10.1
71.08619	6.5
71.75690	1.1
73.06541	1.6
79.05495	60.4
79.05963	3.0
80.05820	1.5
81.03423	9.4
81.07058	100.0
83.04984	36.5
83.08624	25.4
85.06544	5.8
85.10188	3.8
91.05479	35.5
93.07045	72.0
94.07348	1.3
95.04972	25.9
95.08607	57.9
97.02867	1.2
97.06525	19.3
97.10170	17.6
99.04475	1.4
99.08086	5.1
101.06016	1.4
105.07030	29.9
107.04957	1.6
107.08595	31.7
109.06528	9.6
109.10153	26.5
111.04462	1.6
111.08059	8.3
111.11729	3.2
113.09649	3.2
117.07005	6.2
119.08578	25.7
121.06519	2.5
121.10143	24.1
123.08062	5.7
123.11704	10.7
125.09631	8.1
127.07461	1.3
129.07025	3.0
131.08551	6.7
133.06514	1.6
133.10107	16.5
135.08067	3.9
135.11699	14.0
137.09599	7.6
137.13257	2.3
139.11183	23.6
142.07811	2.0
143.08578	5.5
145.10104	5.2
147.08025	1.3
147.11685	16.4
149.09593	2.9
149.13277	7.3
151.11182	4.6
153.09119	2.6
153.12730	4.9
155.10660	4.8
157.10136	4.4
159.11688	4.4
161.09512	1.3
161.13261	11.2
163.11121	1.5
163.14827	4.4
165.12753	10.7
167.14366	3.4
171.11705	5.1
173.11807	2.3
173.13286	3.4
175.11134	2.9
175.14832	5.0
177.12708	2.4
177.16371	2.0
179.14299	7.1
185.13315	4.0
189.11229	1.6
189.12791	2.4
191.14346	1.9
193.10217	1.1
193.12233	3.8
193.15892	2.1
195.08131	1.7
195.13951	1.3
199.14709	1.3
207.13794	3.9
209.05856	2.3
211.13258	1.4
217.19533	1.6
221.15382	3.2
224.08331	2.3
225.14810	1.4
231.21083	3.9
235.07445	1.7
235.14857	1.5
237.05498	3.1
237.08994	1.6
239.10478	1.6
240.15817	1.3
241.19499	3.5
249.22159	4.8
251.07002	2.7
252.07787	5.7
259.20624	7.1
265.21466	1.8
267.10059	3.1
277.21622	57.4
278.21967	5.0
279.37643	1.2
280.07263	2.3
281.07886	2.0
295.05997	4.0
295.09622	15.2
295.13138	5.3
295.22665	67.9
296.10123	3.0
296.22961	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03937	3.4
53.90680	1.0
55.01847	1.1
55.05515	4.4
56.50184	0.8
57.07067	1.6
67.05505	8.4
69.07060	7.0
69.27516	6.7
71.08626	0.9
78.31528	0.8
79.05496	6.8
80.38195	1.0
81.03412	10.7
81.07053	7.5
83.04974	2.8
83.08595	2.1
85.06519	1.6
90.63341	0.9
91.05476	3.9
93.07039	7.2
95.04983	4.2
95.08592	3.6
105.07034	4.0
107.08628	4.3
109.06498	2.0
109.10150	2.7
119.08575	3.4
121.10165	1.4
125.09591	1.2
128.06189	0.9
129.06978	2.0
133.06471	1.3
133.10121	2.0
135.08037	2.8
135.11696	1.4
141.06998	2.2
142.07787	1.0
143.08553	1.0
145.10089	1.3
147.11678	2.0
151.11166	6.0
154.07730	1.9
155.08542	1.8
156.09314	0.9
157.10094	1.6
161.13239	1.5
165.03743	1.4
165.07021	3.6
165.12790	1.2
167.08606	2.1
169.10156	6.7
171.10217	1.0
171.11690	2.0
178.07805	2.4
179.08542	5.0
180.09341	2.7
181.10153	4.5
183.08061	1.1
183.11685	2.2
184.12555	0.9
185.13263	1.1
191.08585	1.5
192.09355	3.1
193.10132	16.8
194.10812	2.7
195.11678	27.1
196.12305	2.8
197.09618	6.1
197.13242	1.7
198.93010	1.0
205.10152	5.4
206.10835	5.7
207.11734	9.7
208.12268	1.1
209.13213	1.8
219.11574	4.6
220.12444	16.6
221.09828	1.0
221.13225	27.3
221.15326	1.8
222.13770	2.0
234.14029	4.9
235.14803	17.7
236.15506	7.3
237.15904	1.1
239.10657	2.8
240.11455	1.2
249.16322	6.7
253.12236	1.6
253.15942	3.1
259.20648	1.1
265.12366	5.9
276.17221	1.0
277.04523	1.0
277.16000	1.5
277.21640	8.1
277.74237	1.0
280.14636	6.8
295.16940	100.0
295.20346	6.2
296.17337	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	13(S)-HOT
Peak:m/z	Relative Intensity
53.03946	1.7
55.01869	1.8
55.05510	9.3
56.73079	0.7
57.07081	4.6
58.99592	1.3
59.04992	0.7
63.11705	0.6
65.03951	1.6
67.05508	15.8
69.03419	2.3
69.07069	14.6
69.16362	1.5
69.16759	5.0
71.04987	1.2
71.08630	11.0
77.03907	0.6
79.05496	19.5
81.03419	1.6
81.07059	15.1
83.04982	5.3
83.08627	4.0
85.06516	0.7
87.02695	1.8
91.05482	14.7
93.07043	18.1
95.04967	3.1
95.08617	12.2
97.01120	0.8
97.06532	2.8
97.10191	1.5
99.08086	7.3
103.05457	6.1
105.07031	43.1
106.07892	3.6
107.04990	1.4
107.08593	12.9
107.67653	0.6
109.06474	3.4
109.10155	5.2
111.08083	3.7
113.09673	0.6
117.07024	2.7
119.08577	10.7
121.06509	2.3
121.10126	7.9
123.08073	1.6
123.11720	1.0
125.09574	1.3
128.06238	2.8
129.07030	4.4
130.07785	1.1
131.08562	6.9
133.06488	18.0
133.10107	7.7
134.07301	9.4
135.08055	40.9
135.11697	8.0
136.08418	0.9
137.04207	2.0
137.09636	0.9
141.06947	3.1
142.07755	5.0
143.08594	7.2
144.09131	0.8
145.06522	1.1
145.10127	7.8
146.10695	0.8
147.08083	1.4
147.11702	3.2
149.13235	1.6
151.07555	6.5
151.11171	3.1
153.06981	2.1
154.07829	0.9
155.08537	7.4
156.09338	4.3
157.10120	14.5
158.10901	1.0
159.08069	1.3
159.11670	4.1
161.09628	3.2
161.13240	3.0
163.11214	1.6
165.03702	17.0
165.06958	3.7
166.04008	0.8
166.07787	2.2
167.05254	5.7
167.08583	5.4
168.09349	3.3
169.10129	11.8
170.10941	3.8
171.08002	1.0
171.11687	10.4
173.09622	2.3
173.13179	3.1
175.11214	1.7
175.14839	0.8
178.07703	1.0
179.05231	4.6
179.08571	4.9
179.14320	19.9
180.09323	2.4
181.10114	7.6
182.10883	5.6
183.08186	1.0
183.11714	13.7
184.08821	1.1
184.12430	5.5
185.09631	1.9
185.13248	7.9
186.13756	0.7
187.11209	2.3
187.14842	2.1
189.12770	1.5
191.08559	0.9
192.09358	1.4
193.10124	5.5
194.10934	3.2
195.08014	0.9
195.11696	10.7
196.12444	6.4
197.09579	1.8
197.13269	11.9
198.10416	0.7
198.14024	4.1
199.11185	2.2
199.14828	4.0
201.12718	1.2
205.10143	2.4
206.10699	1.4
207.11732	7.3
208.12440	1.9
209.09682	1.7
209.13258	11.8
209.15367	0.9
210.10448	1.3
210.14015	2.7
211.11273	4.4
211.14775	9.4
212.15198	1.1
213.12775	3.2
213.16528	0.9
219.11740	2.8
220.12511	2.1
221.09537	0.7
221.13332	4.7
222.13977	1.4
223.11217	1.4
223.14905	5.0
224.12003	1.4
224.15619	2.9
225.12796	4.9
225.16370	4.3
227.14331	1.3
233.13184	1.9
233.22649	0.9
234.14030	2.1
235.11157	1.2
235.14777	4.8
235.16832	0.8
236.15343	1.0
237.12779	3.8
237.16380	7.8
238.17140	2.0
239.14276	5.1
239.17957	1.8
240.15002	0.7
247.14859	1.9
249.16371	5.0
250.91360	0.6
251.14284	1.4
251.17982	2.4
252.07922	0.8
252.15108	1.6
252.18657	1.2
253.15898	4.0
253.19505	10.7
257.42575	0.7
259.20483	0.7
262.17264	1.3
265.15863	2.2
266.16586	1.7
267.17459	3.1
267.21078	9.5
277.16153	10.5
277.19336	2.5
277.21918	5.5
278.16455	0.9
280.18292	2.6
295.06131	1.3
295.09760	1.9
295.13565	2.4
295.17023	35.6
295.20569	100.0
296.17358	3.2
296.20953	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.70654	3.6
51.00418	3.6
53.03945	28.5
55.01866	11.7
55.05506	37.0
57.03429	4.8
57.07074	10.6
65.03937	5.4
67.05507	83.5
67.05868	3.0
69.03443	5.1
69.07067	64.2
69.86930	3.2
69.87287	15.5
71.08642	8.4
79.05490	50.4
81.03415	93.6
81.07054	76.0
83.04987	18.4
83.08624	17.6
85.06564	3.8
85.10206	5.2
91.05480	33.1
93.07044	55.6
95.04967	55.6
95.08591	32.0
97.06583	4.6
97.10191	10.9
99.08097	5.1
105.07027	52.8
107.08585	40.1
109.06506	12.4
109.10126	24.5
111.08074	5.6
117.07025	6.5
119.08576	19.6
121.06518	3.4
121.10150	12.3
123.08076	7.1
123.11693	10.3
125.09656	13.1
131.08574	5.3
133.06496	11.4
133.10144	23.3
134.07281	4.1
135.08038	22.4
135.11656	7.9
145.10114	3.9
147.11726	18.9
149.09616	4.1
149.13226	7.8
151.07602	3.6
151.11176	64.5
153.09103	8.6
157.10152	4.8
159.11690	4.6
161.13289	8.5
163.14890	3.5
165.03677	11.0
165.12758	15.0
171.11655	7.5
175.14874	8.4
177.12854	6.9
179.14262	10.2
187.09102	3.5
193.12181	4.2
207.13695	5.4
231.21074	17.2
235.14677	4.4
241.19446	5.7
249.22061	7.1
259.20584	9.8
261.60782	3.8
271.55661	4.2
277.16592	5.1
277.21625	100.0
278.21985	6.7
295.05969	10.5
295.09589	11.6
295.17056	10.6
295.23941	4.9
296.06793	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.066
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08172	4.6
64.80476	0.6
70.73673	1.2
70.74001	0.8
71.07369	3.7
74.44460	0.7
86.09707	22.6
104.10747	100.0
105.11093	1.8
115.82693	0.7
133.03816	0.6
153.52959	0.6
236.99257	33.9
296.06595	29.2
297.07065	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	10.6
57.03437	42.7
58.03769	6.8
58.24524	6.2
61.02934	16.2
61.71880	5.6
69.03429	35.9
69.32256	5.2
70.03764	12.3
71.05011	6.7
71.08625	8.9
73.02917	46.3
74.03243	15.7
81.03423	7.4
81.07072	6.0
83.66967	5.4
84.99516	7.0
85.02911	63.2
86.03235	20.1
87.04456	5.7
92.05829	6.6
93.07070	8.9
95.04970	8.0
95.08625	7.3
97.02870	47.5
97.54846	5.4
98.03233	21.5
99.08092	32.0
100.27976	5.7
105.07036	6.6
107.04971	8.2
107.08595	7.4
111.04421	6.0
115.03911	16.6
115.46168	5.8
116.04278	16.5
117.09132	100.0
119.08578	7.2
123.04453	7.9
123.08092	7.4
127.03961	10.2
128.04277	6.2
129.02225	5.7
131.08582	7.9
133.04958	13.9
134.05278	9.8
145.04877	10.2
145.10170	5.6
146.05258	7.7
151.07666	7.4
159.11745	6.7
162.11101	6.5
187.11115	7.7
205.06448	7.7
233.11661	8.6
241.05157	7.9
269.04337	9.0
278.10400	12.8
279.06537	7.7
279.12241	6.8
296.10242	9.9
297.03860	23.8
297.07294	12.3
297.11099	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	16.3
57.07077	13.3
59.36627	3.8
60.04524	39.6
62.83043	3.6
62.83411	3.8
65.72666	4.3
67.05508	17.0
69.03436	6.5
69.07060	30.2
70.93822	9.9
71.04984	8.3
71.08613	5.3
78.44676	3.9
79.05493	20.6
81.07061	43.3
83.08611	7.2
85.06570	10.8
91.05468	21.4
93.07043	52.3
95.08596	46.2
96.08141	5.4
105.07026	35.5
107.08593	74.5
109.10165	27.6
111.04362	4.4
114.09164	6.9
117.07052	8.1
119.08562	29.8
121.10146	40.3
123.08120	5.3
123.11720	20.0
127.11174	4.5
131.08572	17.6
133.10130	27.3
135.08127	4.8
135.11699	37.4
144.09196	4.5
145.10121	34.3
147.11719	18.1
149.13298	17.2
159.11702	66.2
161.13264	28.0
163.11192	13.5
163.14882	27.7
175.14755	9.0
177.16475	6.8
183.11731	4.3
191.18010	18.3
201.16409	39.3
209.06006	7.8
211.66501	5.2
218.18974	12.2
219.17459	51.9
223.07509	4.6
236.20079	100.0
237.18570	4.3
239.07159	5.6
253.08688	4.7
259.08859	5.5
260.20135	5.1
265.12170	29.1
267.06555	5.4
278.21262	20.3
279.23282	6.0
281.11572	5.2
296.10208	13.1
296.13794	8.5
296.22165	39.5
297.07755	8.3
297.11255	11.0
297.14905	17.2
297.18289	6.7
297.22406	6.9
311.53641	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0756
Annotation	Maximaisoflavone H
Peak:m/z	Relative Intensity
51.22181	0.4
55.05480	0.9
67.05446	0.5
68.14912	0.6
69.07015	1.6
69.07412	0.8
69.07820	3.0
79.05454	0.5
81.07005	1.0
83.08577	0.6
91.35992	0.4
93.86087	0.5
95.04910	0.6
95.08560	1.0
95.80980	0.4
107.08587	0.8
112.12860	0.4
121.10182	0.4
133.10089	0.5
153.06940	0.8
155.04810	0.5
155.08505	0.6
159.94460	0.4
163.07486	0.5
165.07001	0.6
166.04111	0.9
166.80841	0.4
167.04878	0.4
168.05630	1.3
169.06436	0.9
170.07222	0.6
178.80586	0.4
181.06496	1.1
183.08154	0.8
191.14328	1.7
196.05180	2.5
197.05934	1.2
198.06717	1.0
211.03894	12.2
211.07501	1.9
212.04503	1.3
215.14340	0.7
223.01831	0.8
223.03889	9.1
224.04622	2.8
224.08197	0.5
224.92780	0.4
225.05569	1.0
226.06274	1.4
233.15355	2.4
237.05396	2.7
238.06335	0.5
239.03389	49.6
239.07167	1.4
240.03720	2.3
241.05070	0.5
241.08476	0.5
245.32251	0.4
251.03386	76.1
252.04124	25.7
253.04819	5.8
253.08644	0.6
254.05759	3.4
256.03583	0.6
265.08694	0.6
266.05737	37.4
267.02887	16.4
267.06430	9.7
268.03168	0.9
268.07117	1.0
269.08060	1.3
269.11658	0.4
281.04367	1.1
282.05258	18.2
282.08743	2.5
283.05817	1.1
296.06613	0.5
297.07584	100.0
297.11011	7.5
298.07928	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0757
Annotation	Maximaisoflavone H
Peak:m/z	Relative Intensity
52.78022	0.2
55.24259	0.2
58.60806	0.2
67.80719	0.2
69.28544	0.7
69.28948	0.9
84.12877	0.3
89.36789	0.3
91.18613	0.2
98.23329	0.4
139.05463	0.3
140.06242	0.6
141.06972	0.3
152.06206	0.3
166.04144	0.4
167.04929	0.3
168.05748	1.2
169.06436	0.6
181.02754	0.4
183.04416	0.4
185.05995	0.3
194.03610	0.6
195.04390	0.4
196.05180	2.5
197.05920	0.8
198.06717	0.7
199.04036	0.3
206.93646	0.2
211.03905	11.5
211.07495	0.8
212.04425	0.9
223.03891	7.6
224.04675	3.0
225.05330	0.6
226.06169	1.3
236.04802	0.6
237.05478	2.1
239.03387	46.6
240.03763	2.0
241.05043	0.3
241.08766	0.3
251.03392	70.8
252.04128	22.6
253.04935	8.0
254.05708	3.1
256.03641	0.6
265.08679	0.5
266.05737	33.2
267.02887	15.5
267.06406	8.6
267.09064	0.3
268.03241	0.7
268.06946	0.5
269.08051	0.5
281.04514	1.2
282.05231	23.1
283.05676	1.5
297.07578	100.0
298.04868	0.2
298.07925	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0756
Annotation	Maximaisoflavone H
Peak:m/z	Relative Intensity
51.97113	0.4
60.20428	0.4
60.48435	0.4
63.74163	0.3
69.22903	0.7
69.23318	2.2
104.12333	0.4
137.03882	0.4
139.05391	0.6
140.06244	0.7
152.06207	0.5
167.04904	0.4
168.05688	1.3
169.06436	0.7
181.02795	0.5
183.04451	0.4
194.03688	0.5
195.04497	0.6
196.05161	2.9
197.05917	0.6
198.06779	0.7
199.03983	0.5
208.05016	0.4
211.03900	11.9
212.04527	0.6
223.03883	9.3
224.04678	2.8
225.05482	0.6
226.06200	1.7
229.06647	0.4
236.04561	0.5
237.05484	2.1
239.03380	52.0
240.03780	2.1
251.03384	73.4
252.04126	24.4
253.04942	8.4
254.05676	3.1
256.03683	0.6
266.05728	33.9
267.02878	15.2
267.06381	8.5
268.03323	0.7
281.04434	1.4
282.05203	23.6
283.05640	1.5
297.07562	100.0
298.07898	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0757
Annotation	Maximaisoflavone H
Peak:m/z	Relative Intensity
55.05507	2.0
57.03419	0.8
57.07082	2.3
67.05482	1.0
69.07069	2.6
71.08600	1.6
71.31674	0.5
79.05477	0.5
81.07024	1.3
83.08597	1.4
91.02553	0.3
93.07018	1.0
95.08585	0.6
97.10139	1.2
99.34356	0.4
107.08579	0.5
121.10113	0.6
135.11678	0.6
138.04684	0.4
139.05399	0.6
141.12721	1.9
152.06172	0.5
157.10124	0.4
159.79839	0.4
162.68285	0.4
168.05658	1.1
169.06532	0.4
181.02881	0.7
181.66510	0.4
194.03679	0.8
195.04434	0.9
196.05188	3.1
197.05835	0.7
211.03917	12.0
211.07364	1.0
212.04471	1.1
223.03894	9.4
224.04665	3.2
225.05518	0.8
226.06154	0.9
227.03323	0.4
237.05490	2.3
238.05927	0.5
239.03386	52.9
240.03737	2.9
241.04858	0.7
251.03387	78.3
252.04115	23.7
253.04950	6.8
254.05737	2.9
256.03601	0.7
266.05731	36.1
266.99982	0.8
267.02866	16.4
267.06378	8.4
268.03281	0.6
268.06921	0.5
279.23242	0.5
281.04459	0.7
282.05222	24.4
283.05527	1.1
297.07571	100.0
297.18497	1.4
297.24213	2.1
298.07938	5.5
298.11093	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0758
Annotation	Maximaisoflavone H
Peak:m/z	Relative Intensity
67.05489	0.5
71.30649	0.6
78.68247	0.4
81.07020	0.9
93.07013	0.6
95.08591	0.5
108.85682	0.4
111.37244	0.4
119.08588	0.5
123.45824	0.4
135.11697	0.5
145.10118	0.8
155.04713	0.5
155.08524	0.5
159.11667	0.8
165.07036	0.8
167.04826	0.6
168.05733	0.8
169.06374	1.0
169.10019	0.5
171.11710	0.5
181.06581	0.5
181.10234	0.4
183.04442	0.5
194.03653	0.8
195.04323	0.6
195.11688	0.7
196.05217	1.5
199.03934	0.9
199.07541	0.7
209.13286	0.8
211.03902	11.5
212.04539	1.1
223.03918	9.0
224.04588	2.2
225.05299	0.6
226.06248	0.9
233.87573	0.5
237.05391	2.4
239.03387	45.2
240.03799	2.7
251.03397	76.3
252.04132	21.8
253.04834	3.6
254.05740	1.6
256.03641	1.2
265.05154	0.5
266.05734	39.0
267.02893	15.1
267.06430	8.9
268.03134	0.8
281.04596	0.6
282.05237	16.5
282.08328	0.8
283.05420	0.9
296.25574	2.5
297.07584	100.0
297.18518	1.9
297.25958	1.7
298.07901	6.4
307.51801	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0758
Annotation	Maximaisoflavone H
Peak:m/z	Relative Intensity
51.58486	0.2
59.99936	0.2
64.61042	0.2
66.42207	0.3
66.42541	0.2
67.05486	0.2
68.14945	0.2
69.07032	0.3
81.07037	0.3
95.08597	0.4
101.31013	0.2
108.86539	0.2
118.70330	0.2
137.03922	0.3
137.30373	0.2
139.05394	0.5
140.06174	0.7
141.07037	0.2
145.10159	0.3
153.02364	0.3
153.06999	0.3
157.10146	0.4
159.11665	0.3
165.06967	0.3
166.04077	0.3
166.39977	0.3
167.04939	0.5
168.05710	1.0
169.06398	0.6
179.08522	0.3
181.06462	0.3
183.04362	0.4
193.82149	0.3
195.04352	0.4
195.08138	0.3
196.05194	2.5
197.05872	0.6
198.03201	1.3
198.06779	0.6
199.03865	0.5
208.05177	0.3
211.03899	11.5
211.07208	0.5
212.04413	0.8
213.09161	0.3
214.02577	0.4
223.03885	9.0
224.04680	3.6
225.05450	1.0
226.06293	1.6
227.03551	0.4
236.04683	0.3
237.05450	2.5
237.08966	0.2
238.06085	0.3
239.03386	47.0
240.03822	2.1
241.04797	0.3
241.08461	0.3
250.06339	0.3
251.03389	70.3
252.04137	22.9
253.04912	8.1
254.02107	1.0
254.05673	2.5
255.02777	0.3
255.06348	0.5
256.03629	0.8
260.27664	0.3
265.05133	0.5
266.05734	37.3
267.02869	16.3
267.06375	9.4
268.03314	0.7
268.07043	0.5
269.04419	1.9
269.07993	0.4
269.11615	0.3
279.20911	0.2
281.04401	0.9
282.01868	1.1
282.05222	22.3
282.08264	0.9
283.05579	1.4
297.07565	100.0
298.04764	0.4
298.07919	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0757
Annotation	Maximaisoflavone H
Peak:m/z	Relative Intensity
55.05466	0.2
58.76111	0.2
64.73750	0.2
69.37280	1.1
93.07054	0.2
108.56626	0.2
109.10197	0.2
135.51253	0.2
137.03842	0.2
139.05403	0.3
140.06213	0.2
146.14777	0.2
146.52560	0.2
166.04128	0.4
167.04904	0.3
168.05693	0.5
181.02818	0.4
181.06442	0.2
194.03604	0.5
195.04333	0.3
196.05208	1.5
199.04019	0.5
211.03897	12.5
212.04514	0.9
213.12704	0.3
214.02638	0.3
223.03883	10.6
224.04631	2.8
225.05559	0.4
226.06183	0.8
236.04787	0.3
237.05472	2.5
238.06137	0.2
239.03375	55.1
240.03737	2.8
250.81958	0.2
251.03377	85.7
252.04117	26.4
252.06937	0.3
253.04861	4.8
254.05646	1.7
256.03619	1.0
265.04901	0.3
266.05722	40.2
267.02856	16.8
267.06372	9.2
268.03214	0.8
268.06982	0.6
281.04449	0.6
282.05206	19.6
283.05637	0.9
291.89508	0.2
291.93369	0.2
297.07556	100.0
298.07886	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0757
Annotation	Maximaisoflavone H
Peak:m/z	Relative Intensity
55.05477	0.4
60.01265	0.3
65.69452	0.3
67.05492	0.5
68.14928	0.4
69.07033	0.7
71.31360	0.6
79.45380	0.4
80.94851	0.5
81.07034	0.7
83.04978	0.6
84.66644	0.3
87.99927	0.3
92.86465	0.3
95.08606	0.7
98.97590	0.8
107.08596	0.4
116.98598	0.4
133.06483	1.0
139.05461	0.4
153.06993	0.5
155.08534	0.5
165.06927	0.5
168.05692	0.8
169.06506	0.5
170.10999	0.4
177.69504	0.4
179.08681	0.4
195.08205	0.3
195.11681	1.4
196.05147	1.9
199.03896	0.4
200.07521	0.5
209.13249	0.7
211.03891	10.1
211.05859	0.6
212.04460	1.0
223.03876	8.1
224.04636	2.7
225.05511	0.6
226.06230	1.5
237.05423	1.8
237.16489	0.4
239.03387	49.4
240.03673	2.5
241.05232	0.4
251.03387	71.2
252.04131	22.8
253.04927	5.4
253.46115	0.4
254.05687	2.6
254.09039	0.5
256.03604	1.0
265.08704	0.5
266.05737	35.6
267.02893	14.7
267.06418	8.6
267.11499	0.6
268.03278	0.8
268.06995	0.6
274.97437	0.7
279.23337	0.5
281.04709	0.5
282.05228	19.5
282.08282	0.9
282.13980	0.6
283.05661	1.3
292.98679	0.5
297.07574	100.0
297.18762	3.6
298.07959	5.8
299.91837	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1332
Annotation	Anislactone B
Peak:m/z	Relative Intensity
51.98494	1.8
52.99269	2.0
53.03946	7.3
55.01886	6.7
55.05512	25.2
57.03437	3.7
65.03940	5.7
67.01884	2.0
67.05500	19.3
69.03439	21.8
69.07086	5.4
69.14446	20.3
71.04999	7.8
73.02923	30.8
79.05495	34.5
81.03413	5.2
81.07061	27.6
83.04980	64.7
84.09432	2.1
85.02910	16.5
85.06588	3.5
91.05479	42.0
93.03429	4.4
93.07047	41.0
95.04975	40.6
95.08620	21.8
97.02904	7.9
97.06542	33.7
98.23367	5.3
99.04455	7.7
101.06043	6.2
103.05491	5.3
105.07032	44.9
107.04959	13.8
107.08578	27.9
109.02893	9.7
109.06519	100.0
109.10135	12.4
110.06812	2.7
111.04462	10.7
111.08085	21.7
113.06009	9.5
115.05459	6.1
116.06267	4.8
117.07021	18.0
119.03460	2.5
119.04961	5.3
119.06124	2.8
119.08572	47.0
121.02854	3.5
121.06495	30.9
121.10137	16.4
121.21069	2.4
123.04416	12.8
123.08072	73.7
124.08408	3.1
125.06006	18.9
127.03923	41.7
127.07578	5.2
128.06248	5.6
129.06967	10.2
130.07823	4.3
131.08578	29.9
133.06509	14.8
133.07391	2.7
133.10143	17.8
135.04446	6.0
135.08067	36.0
135.11714	4.4
137.05962	19.0
137.09630	15.7
139.03937	7.4
139.07524	17.0
141.05521	2.7
141.06966	3.6
142.07820	5.4
142.71327	2.1
143.08551	10.3
144.09384	2.5
145.06499	7.4
145.10120	32.9
146.07281	2.9
147.08035	41.5
147.11720	6.9
148.08644	2.2
149.06027	6.9
149.09612	22.9
151.03876	3.1
151.07549	22.3
153.05528	3.4
153.09114	21.1
154.07837	2.9
154.66628	2.3
155.07057	10.2
155.08548	5.7
156.09297	5.2
157.10149	8.3
158.07304	9.0
159.08066	27.6
159.11656	13.0
160.08791	3.0
161.06032	8.1
161.09636	25.5
162.06772	2.5
162.10434	3.1
163.07603	8.1
163.11166	13.3
164.45079	2.2
165.09105	39.8
166.08435	7.6
167.07007	3.6
169.10121	8.0
171.07991	2.5
171.11739	4.3
172.08855	8.1
173.09639	37.6
175.07524	16.7
175.11176	12.4
176.08214	2.3
176.11913	3.9
177.09128	22.7
177.12801	3.6
178.03687	2.4
178.09697	2.5
179.07037	12.3
179.10597	12.3
181.08597	4.4
182.29274	2.4
183.02829	2.9
183.06664	2.7
187.11195	21.9
189.09129	3.8
189.12756	5.4
191.10670	19.1
193.08618	11.0
195.10194	7.9
197.09651	7.1
199.11147	3.9
201.09125	13.9
203.07031	7.1
203.10695	5.1
204.11493	4.8
205.12180	13.4
207.10260	4.9
215.10660	24.3
217.12251	5.8
219.10161	18.2
221.08105	38.4
221.11610	3.9
222.12791	2.6
225.09062	2.5
233.11705	31.7
235.13293	12.1
237.11259	8.8
239.09100	3.8
243.10223	8.1
249.11314	3.2
251.12857	6.8
253.99374	2.5
261.11221	22.0
274.97235	3.1
279.12250	28.1
297.03891	3.1
297.09549	7.6
297.13287	61.3
298.08987	9.3
298.13712	3.4
305.96875	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1486
Annotation	Acerogenin C
Peak:m/z	Relative Intensity
55.01870	3.3
55.05509	1.9
55.40955	0.9
67.05510	2.3
69.07063	4.7
69.33455	2.2
69.33858	4.9
74.94170	0.9
76.89299	0.9
79.05502	3.7
79.19985	1.0
81.07060	4.7
83.04993	1.7
91.05500	5.1
93.07048	3.2
95.04993	1.7
95.08597	9.0
98.22668	1.8
105.07040	2.6
107.04926	1.1
107.08591	4.1
109.06536	1.7
115.05451	2.3
117.07002	1.5
119.08599	3.8
123.08086	1.0
129.07008	1.5
131.04962	1.7
131.08551	2.3
137.05995	10.7
139.05420	1.7
141.06917	1.4
141.25186	1.4
142.07808	2.5
143.08598	1.6
145.10098	3.3
151.07565	3.5
152.06206	2.5
153.07019	5.2
155.08612	2.1
157.10156	5.9
159.11699	4.4
161.06029	3.5
163.07561	2.5
165.07056	3.0
166.07782	1.7
166.95532	1.0
167.04953	1.4
167.08563	6.2
168.05629	2.0
169.06404	2.0
169.10126	1.6
172.05144	1.5
173.09637	3.2
175.07518	5.2
177.07034	2.2
179.08580	3.0
180.09436	2.8
181.06499	13.7
181.10146	4.3
182.07220	2.0
183.08057	1.4
183.11732	2.7
183.30560	1.1
184.05273	2.1
185.06009	1.7
185.13249	1.6
187.07576	4.9
189.09132	2.8
191.14291	1.2
193.06483	2.3
193.10175	3.9
194.07338	1.4
194.10918	1.3
195.08055	14.2
195.11719	2.0
196.05244	1.5
196.08920	1.7
197.05997	3.6
197.09630	2.2
197.13368	1.5
198.06725	3.5
199.07564	5.4
200.08250	1.6
201.05481	1.0
201.09125	3.8
203.08659	2.0
204.09369	2.5
207.08080	2.0
207.11571	1.6
208.08806	3.5
209.06004	10.5
209.09619	7.8
209.13284	4.0
210.06744	2.0
211.07536	6.1
212.04727	5.8
212.08342	2.8
213.05663	1.8
213.09122	10.6
214.09842	1.9
215.10674	2.3
219.11682	5.3
221.09671	3.7
222.10419	3.7
223.07564	11.3
223.11122	2.3
223.14822	1.5
224.08315	2.6
225.09135	5.8
226.06256	3.3
226.09825	4.2
227.07059	20.9
227.10533	9.9
228.07771	2.5
232.08815	3.6
233.09595	1.7
235.07608	2.9
236.08310	3.5
237.05463	1.1
237.09216	2.0
237.12724	9.1
237.16435	2.0
238.09927	5.7
239.03461	2.0
239.07080	3.8
239.10611	4.9
240.07809	3.6
240.11426	3.8
241.08574	8.1
241.12230	4.8
242.09422	1.9
242.13110	1.9
247.11130	6.8
247.41150	1.0
248.11732	1.9
249.09169	3.5
249.93379	1.1
250.09883	3.2
251.03410	1.9
251.07141	1.1
251.10568	1.7
252.04227	1.4
252.07372	1.2
253.08487	1.8
253.09726	1.3
253.12242	11.7
254.05684	1.4
254.13033	2.5
255.10266	5.0
255.13828	1.5
264.11469	3.9
265.12247	22.0
266.05887	1.5
266.12793	1.2
267.06589	2.8
267.10007	1.6
268.10907	2.0
269.08014	1.6
269.15372	32.1
270.15753	2.2
279.13834	11.4
280.14374	1.2
297.04175	2.3
297.08060	12.2
297.11407	8.2
297.14886	100.0
297.18411	14.4
297.22061	4.5
298.08328	2.4
298.15131	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1485
Annotation	Acerogenin C
Peak:m/z	Relative Intensity
55.01870	2.2
55.05517	1.9
55.56085	0.6
57.03432	1.3
65.52810	0.7
67.05506	4.1
69.07066	4.2
69.43380	0.7
70.57516	1.8
71.04991	0.7
79.05511	3.4
80.01109	0.8
81.03426	0.7
81.07059	6.5
83.04988	1.4
91.05480	4.1
93.07025	4.0
95.04964	1.6
95.08598	8.8
103.05491	1.2
105.07051	3.6
107.05010	0.8
107.08598	4.9
109.06543	1.6
109.10124	1.0
111.08105	0.6
113.09679	1.1
117.07056	0.8
119.08570	3.9
121.06509	1.3
121.10125	0.9
123.08134	0.8
128.06245	0.7
129.07028	2.0
131.04941	1.6
131.08571	2.0
133.10141	1.8
135.08026	1.7
135.11707	1.7
137.05980	9.1
139.05447	2.2
141.07045	1.0
142.07787	2.0
143.08575	2.7
145.06465	1.6
145.10104	4.5
146.03604	0.9
147.11719	1.4
151.07584	1.6
152.06238	1.8
153.06961	5.3
155.08574	2.4
157.06517	1.7
157.10146	5.0
158.07286	1.7
159.11720	2.9
160.05222	1.1
161.05968	1.9
163.07542	2.2
165.06985	2.3
166.07823	3.2
167.04869	1.8
167.08582	5.4
168.05725	1.4
169.06573	0.9
169.10094	2.0
170.07259	0.8
171.08054	1.3
171.11734	2.0
173.09631	3.4
173.13275	1.2
175.07520	5.1
178.07655	0.8
179.08647	3.5
180.09346	2.3
181.06496	14.2
181.10098	4.8
182.07301	1.2
183.04248	0.7
183.07994	1.8
183.11743	2.7
184.05228	2.3
185.05978	2.0
185.13252	1.8
187.07518	6.0
187.11230	0.9
187.14819	1.1
189.07234	1.0
189.09155	3.7
191.08640	0.9
191.14334	0.8
193.10127	3.6
194.07281	2.5
194.10927	2.2
195.08073	14.5
195.11705	5.1
196.08670	0.8
197.06006	3.3
197.09708	1.7
197.13275	1.0
198.06873	2.9
199.07535	6.1
199.11218	1.0
199.14861	1.5
200.08353	2.3
201.05508	1.7
201.09090	3.4
201.12878	0.9
203.08687	1.2
203.10567	0.9
204.09328	2.8
207.08090	2.2
207.11754	1.6
208.08871	3.2
208.12460	0.8
209.06000	7.7
209.09602	7.6
209.13234	6.7
210.06737	3.0
210.10376	1.0
211.03912	1.3
211.07521	3.5
212.04674	6.2
212.08307	2.7
213.05434	1.9
213.09105	10.1
213.12761	1.6
213.16368	1.3
214.06151	0.9
214.09856	1.3
215.07027	0.8
215.10722	2.1
219.11688	5.3
220.12253	0.9
221.09692	4.5
222.10399	2.9
222.13959	0.7
223.04027	1.1
223.07558	13.4
223.11137	2.7
223.14751	1.3
224.08180	1.4
225.09081	7.7
226.06284	3.0
226.09866	2.3
227.07036	19.4
227.10583	10.1
228.07736	2.1
229.08440	1.2
231.08128	1.1
232.08821	2.5
235.07556	3.6
236.08279	1.6
236.12007	1.0
237.09119	2.3
237.12738	9.7
237.16347	3.6
238.09918	5.4
238.13092	1.0
239.03349	6.3
239.07001	1.7
239.10605	4.0
240.07790	1.5
240.11305	4.6
241.08617	7.6
241.12222	5.5
242.60510	0.8
247.11102	7.7
249.09142	5.1
250.09869	3.9
251.03363	9.3
251.10611	1.3
251.17874	1.1
252.04024	4.0
253.04874	0.9
253.08521	1.3
253.09750	1.0
253.12248	8.5
254.09349	1.1
254.13013	2.0
255.10075	5.2
255.13817	2.0
255.17332	0.9
263.10507	0.9
264.11447	5.8
265.12222	21.3
266.05698	4.4
266.12772	0.9
267.02899	1.9
267.06552	4.1
267.10162	1.0
268.11014	1.8
269.15363	34.8
270.15668	1.7
279.13785	13.5
282.05322	2.7
282.12686	1.4
297.07687	14.9
297.14880	100.0
297.18448	21.3
297.22101	9.0
298.15237	7.1
298.18741	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1697
Annotation	[4S-(4alpha,4aalpha,5alpha,8aalpha,9aalpha)]-4a,5,6,7,8,8a,9,9a-Octahydro-4,8a-dihydroxy-9a-methoxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one
Peak:m/z	Relative Intensity
53.03939	11.9
55.01865	13.9
55.05508	14.5
57.03447	22.0
61.02919	15.6
67.05506	36.9
69.03433	59.4
69.07046	16.5
69.68024	4.2
70.03789	4.3
70.67572	10.1
70.67901	6.1
71.04982	14.5
71.30102	4.1
73.02906	20.0
79.05500	35.1
81.03426	40.3
81.06591	6.3
81.07058	69.6
83.04966	14.5
83.08621	4.4
85.02911	75.6
86.00204	5.3
87.04477	7.9
91.05478	46.1
93.07049	100.0
95.04983	23.6
95.08601	37.2
97.02905	45.3
97.06525	13.7
99.04450	20.2
103.03940	12.8
105.07027	75.1
107.04955	7.7
107.08596	92.8
109.02870	11.9
109.06505	19.2
109.10154	41.0
111.04443	14.5
113.05967	4.7
115.03944	8.9
117.07022	18.0
119.04955	5.6
119.05966	5.0
119.08574	52.1
120.08839	4.1
121.06499	16.2
121.09306	5.4
121.10148	76.2
122.10519	4.8
123.04422	10.1
123.08044	9.2
123.11721	22.6
125.05968	8.5
127.03909	17.6
129.05496	6.4
129.07013	11.3
131.08592	26.4
133.04988	5.1
133.06488	11.2
133.10126	58.6
135.08066	8.0
135.11694	87.6
137.09627	18.1
139.07536	5.4
141.05455	4.5
142.07794	6.3
143.08554	14.3
144.09309	5.4
145.04988	16.7
145.06416	6.9
145.10106	33.1
147.08038	13.5
147.11700	44.4
149.09596	9.6
149.13246	12.6
151.11174	13.4
153.12762	25.1
155.08597	5.1
157.10156	8.5
159.08072	10.4
159.11690	43.5
161.09689	7.1
161.13268	15.9
163.11183	24.5
165.12727	14.3
171.11684	9.7
173.09621	10.4
173.13286	10.2
175.11176	17.5
177.12755	21.7
187.11162	6.2
189.12723	18.3
193.12242	5.3
197.13312	5.1
201.12764	15.5
205.12111	6.0
215.14336	10.2
219.02777	4.7
219.13739	13.2
231.13814	12.7
233.15408	7.5
237.09152	5.0
243.13792	19.8
249.14946	6.9
261.14844	36.9
262.15146	4.8
265.08554	7.4
279.15915	45.2
297.07742	9.3
297.11212	17.5
297.16907	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.6
55.01875	12.9
55.05502	14.5
57.03447	20.9
57.07085	4.2
57.70387	2.3
60.34014	2.9
61.02922	14.7
62.41244	3.0
62.41576	2.9
65.03936	6.9
67.05503	95.0
68.05820	3.0
69.03430	70.8
69.07053	17.5
70.86205	3.3
70.86540	4.3
71.01353	7.1
71.04997	7.2
73.02926	14.4
75.46742	2.7
75.52329	2.9
79.05496	44.8
81.03411	37.4
81.07058	86.5
83.01338	3.2
83.04980	32.7
83.08599	5.2
85.02905	100.0
85.06561	3.0
87.04476	4.9
91.03989	5.5
91.05476	42.3
93.07042	95.1
95.04973	19.2
95.08604	23.3
97.02876	35.4
97.06532	6.4
99.04464	12.6
100.82657	2.6
101.02388	4.2
103.03960	10.3
103.05511	3.3
105.07038	44.5
107.04966	13.4
107.08589	61.8
109.02879	9.8
109.06538	11.8
109.10175	15.9
111.04436	41.6
111.08099	4.3
115.03944	8.7
117.07030	21.1
119.08591	29.0
121.06517	8.7
121.10144	21.4
122.06805	3.1
123.04446	9.6
123.08108	4.4
123.11706	78.0
125.09635	3.0
127.03921	23.5
127.93111	3.1
129.05479	15.0
129.07027	11.6
131.04907	4.0
131.08580	20.4
133.04999	3.2
133.06519	8.3
133.10127	36.8
135.04420	3.2
135.08055	7.0
135.11694	72.3
135.12683	5.9
137.05971	5.6
137.13237	4.9
141.05527	3.8
142.07831	3.5
143.08569	9.2
144.05746	3.1
145.04984	11.4
145.06461	6.3
145.10130	15.1
147.08080	10.8
147.09189	8.1
147.11659	19.5
149.09636	7.4
149.13240	8.0
151.07584	2.7
151.11208	11.0
153.12776	5.9
155.08585	8.4
157.10150	4.3
159.08093	7.7
159.11711	12.2
161.09607	5.9
161.13246	8.1
163.07449	3.6
163.08667	10.2
163.11195	10.9
164.16820	2.9
165.12796	7.6
167.08585	3.9
169.10133	4.6
171.06563	2.6
171.11700	7.5
173.06023	2.7
173.09685	5.5
173.13295	8.1
175.08685	13.9
175.11241	10.0
177.09212	4.2
177.12738	16.6
182.40598	2.8
185.09663	3.0
187.07635	2.9
189.12799	8.2
191.10608	2.9
193.12279	3.1
194.07530	2.8
195.11716	3.5
197.13239	3.2
201.12764	10.4
203.14233	2.6
205.12384	3.3
207.07968	3.2
207.13831	6.8
209.09869	3.7
211.98036	2.7
213.12717	3.3
215.14404	5.2
219.13803	11.1
231.13760	7.3
235.07579	4.6
237.09128	3.7
243.13826	9.0
253.08467	2.9
261.14841	19.6
265.08603	4.2
279.13324	4.7
279.15982	21.4
297.08093	3.6
297.11230	10.8
297.14377	3.8
297.17020	49.9
306.23471	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1848
Annotation	MF-EA 705beta
Peak:m/z	Relative Intensity
50.55645	0.2
51.02318	0.2
51.64548	0.2
51.69967	0.2
53.03928	0.2
55.01866	0.6
55.05503	0.9
57.07073	0.2
67.05495	0.4
69.07067	1.4
73.06564	0.2
79.05499	1.1
81.07039	0.8
83.04962	0.3
83.08623	0.2
85.06538	0.6
91.05476	1.4
93.07045	4.7
95.04956	0.3
95.08599	0.7
97.06540	0.4
98.06200	0.2
98.88885	0.2
105.07032	0.7
107.08600	2.6
108.08934	0.3
109.06524	0.3
111.08088	0.2
117.07051	0.2
119.08588	0.3
127.58373	0.2
128.06221	0.2
129.06961	0.4
131.08560	0.3
135.08076	1.6
137.05965	0.4
141.06985	0.5
142.07770	1.6
143.08577	1.3
145.10129	0.8
152.06250	0.2
153.06987	0.7
153.09050	0.2
155.08539	1.2
156.09305	0.6
157.08888	0.4
157.10133	5.6
159.11606	0.3
165.07010	1.5
166.07748	0.3
167.08568	1.9
168.09279	0.7
169.10120	1.1
171.07954	0.3
171.11661	1.0
175.07613	0.4
178.07751	0.2
179.08559	1.7
180.09373	1.9
181.06482	0.8
181.10123	4.4
182.10916	1.4
183.11685	2.5
184.12141	0.3
187.07500	0.3
189.09129	0.3
193.10152	1.7
194.10878	2.5
195.07993	0.7
195.11688	24.4
196.12375	2.7
197.05896	0.2
197.09544	0.4
197.13281	2.4
199.07472	0.5
199.11148	0.7
201.09160	0.2
204.09247	0.2
205.10175	0.3
207.11674	5.2
208.12491	1.9
209.06100	0.2
209.09738	0.5
209.13246	12.9
210.13943	2.3
211.03877	0.4
211.07475	0.3
211.14711	1.2
212.04420	0.2
213.09076	0.6
213.12654	0.3
219.11691	0.4
220.12505	0.6
221.09595	0.4
221.13216	2.0
222.13989	2.2
223.03922	0.2
223.07556	0.5
223.11125	0.6
223.14806	4.0
224.04753	0.2
224.15521	1.2
225.09076	0.3
226.06157	0.2
227.07068	0.6
227.10606	0.9
235.14809	2.7
236.15494	1.7
237.12828	2.3
237.16368	10.7
238.09889	0.2
238.17059	2.3
239.03375	1.3
239.10675	0.2
239.17708	0.3
241.08525	0.3
241.12265	0.8
241.15971	0.3
246.14021	0.4
247.11156	0.3
249.08902	0.2
249.12738	0.6
251.03365	2.4
251.17928	1.4
252.04161	0.8
253.04836	0.2
253.12248	0.2
254.13058	1.3
255.13791	2.5
261.16382	0.8
264.11258	0.2
264.15048	0.4
265.12167	0.7
266.05695	1.3
267.02835	0.4
267.06372	0.4
267.13800	2.6
268.14447	0.3
269.15439	1.3
279.13794	0.8
279.17349	1.5
282.05231	0.6
282.16190	0.8
297.07648	3.2
297.18460	100.0
298.07925	0.3
298.15604	0.2
298.18808	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1847
Annotation	MF-EA 705beta
Peak:m/z	Relative Intensity
53.03934	0.3
53.06601	0.1
55.01863	0.5
55.05500	0.9
59.04990	0.2
67.05505	0.3
69.07064	1.3
69.17219	0.5
69.17638	0.8
73.06551	0.3
75.83558	0.1
79.05495	1.2
81.07067	0.7
83.04959	0.4
85.06523	0.2
91.05473	1.1
93.06468	0.3
93.07037	4.6
95.04945	0.2
95.08599	0.3
97.06519	0.4
102.03559	0.1
105.07021	0.5
107.08591	2.7
109.06470	0.2
111.08066	0.6
111.11277	0.2
115.05409	0.2
119.06071	0.2
119.08584	0.3
121.06466	0.2
126.53232	0.1
128.06192	0.3
129.07019	0.3
131.08537	0.2
135.08060	1.6
141.06934	0.3
142.07773	2.0
143.08568	0.7
144.09283	0.2
145.10112	0.8
153.06964	0.4
155.08524	0.8
156.09296	0.6
157.10130	6.0
158.10594	0.3
159.11757	0.4
165.06976	1.7
166.07777	0.6
167.08569	1.7
168.09334	0.6
169.10103	1.4
170.10616	0.1
171.08026	0.3
171.11659	0.8
178.07753	0.3
179.08539	2.0
180.09317	2.4
181.10112	4.6
182.10869	1.5
183.11687	2.7
185.13173	0.3
192.09361	0.1
193.10150	2.3
194.10883	2.3
195.11688	25.4
196.12363	2.6
197.13284	2.9
198.13931	0.3
199.11192	0.6
205.10115	0.2
206.10844	0.2
207.11688	5.4
207.13672	0.3
208.12479	2.4
209.13243	14.4
210.13977	2.7
211.03914	0.3
211.07579	0.2
211.11212	0.2
211.14787	1.0
219.11671	0.2
220.12495	0.4
221.13261	1.7
222.14006	1.9
223.11212	0.4
223.14825	4.4
224.15601	1.1
227.10577	0.3
231.11745	0.2
232.12296	0.2
235.14819	2.8
236.15591	2.0
237.05360	0.4
237.12808	2.5
237.16353	10.1
238.17099	2.7
239.03368	0.6
239.06973	0.3
241.12219	0.3
246.14035	0.4
249.12648	0.8
251.03343	1.2
251.14288	0.3
251.17958	1.4
252.04044	0.3
253.05060	0.2
254.13033	1.4
255.13799	2.3
261.16428	0.9
264.15039	0.3
265.04959	0.3
266.05713	0.6
267.02887	0.3
267.06500	0.6
267.11163	0.2
267.13815	2.5
268.14868	0.2
279.17459	1.4
282.05167	0.4
282.16290	1.0
297.07657	2.0
297.18478	100.0
298.07965	0.3
298.18842	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2424
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
53.03942	1.7
55.01873	3.3
55.05511	25.0
57.03432	2.7
57.07075	5.5
59.05001	2.0
62.02266	1.0
65.03941	1.8
67.05505	76.5
69.03415	2.7
69.07065	32.4
71.04996	8.4
71.30405	2.1
71.79020	1.1
79.05489	29.6
81.07058	100.0
82.07397	1.7
83.04987	4.5
83.08619	14.3
85.06545	6.8
89.52708	1.0
91.05468	11.3
93.06465	1.8
93.07043	29.8
93.62868	1.3
95.04967	2.2
95.08604	90.0
96.08931	1.4
97.06512	8.0
97.10166	11.6
99.08089	2.0
103.05453	1.1
105.07036	11.3
107.08588	23.4
109.06503	2.2
109.10155	44.4
111.08076	3.3
111.11713	3.8
117.07024	3.4
119.08565	9.4
121.06547	1.5
121.10137	19.4
122.65835	1.0
123.08069	1.5
123.11703	20.3
125.09608	2.9
127.07578	1.9
131.08583	7.9
133.10132	8.4
134.40915	1.0
135.07964	2.5
135.11690	15.8
135.96329	1.1
137.09630	2.4
137.13257	10.2
139.11166	4.0
143.08647	1.2
145.10149	6.7
147.11670	8.8
149.09644	1.5
149.13263	7.3
151.11177	2.6
151.14821	1.9
153.12709	1.4
155.08498	1.3
159.11682	4.7
161.13242	8.4
163.11201	1.3
163.14841	3.9
165.12666	1.6
167.10704	1.4
171.11682	1.7
172.03912	1.1
173.11891	1.5
173.13274	6.0
175.14857	2.5
177.12732	1.8
177.16475	1.8
179.14314	4.8
187.14778	4.4
191.14331	1.5
209.15311	3.5
218.10614	1.1
223.14809	1.6
223.16888	2.6
233.22662	1.5
237.18454	1.6
243.21066	9.5
261.22116	22.5
262.22498	1.9
265.08679	2.3
277.19736	1.2
279.23190	64.0
280.23569	3.4
296.18652	1.2
297.07593	2.1
297.11301	4.1
297.18521	2.0
297.21255	1.6
297.24503	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.1
57.86110	4.1
65.03917	8.5
67.05496	5.8
70.74734	7.7
70.75086	4.6
76.02453	3.5
83.04974	9.5
93.03396	13.8
95.04980	18.5
101.00881	47.9
101.06007	7.7
111.04469	5.1
119.01117	7.3
119.01929	98.5
120.02013	5.0
121.02871	45.4
135.24158	3.7
136.06157	6.4
136.88780	4.1
137.02939	18.7
139.03835	3.9
153.03992	5.9
161.02962	3.8
163.54208	4.5
169.03458	5.3
171.04997	6.1
179.01694	3.7
183.05133	5.5
193.10867	5.4
195.05077	6.4
196.17696	4.1
197.02982	23.3
211.04552	11.9
213.06099	5.6
215.04021	10.6
221.02974	37.7
233.01382	6.8
239.03979	19.2
251.02553	8.9
257.05106	48.7
275.06107	100.0
276.06268	7.8
293.03601	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0965
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
57.03444	0.2
61.01149	6.9
67.17847	0.1
69.03433	0.4
71.06331	0.2
71.06683	0.2
75.02705	2.7
82.45016	0.2
83.25470	0.2
92.59940	0.2
94.04051	0.6
97.02879	1.7
103.02154	0.3
119.03558	1.1
136.06178	100.0
137.04570	0.5
137.06613	1.2
145.03188	1.7
163.04263	1.4
165.51558	0.2
182.04883	0.2
241.06381	0.2
257.04868	0.2
267.68741	0.2
277.08466	0.2
298.04367	0.2
298.09714	3.1
299.09982	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	17.4
57.03429	9.9
59.05007	39.8
69.48483	26.7
69.54588	3.4
73.06558	10.4
83.04969	9.3
85.02902	11.9
98.23363	4.2
101.06013	100.0
117.29456	4.0
119.01925	6.8
119.07065	32.9
159.94812	3.6
179.00729	5.9
275.06186	5.1
298.98813	4.5
299.07333	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02619	1.7
53.03933	2.9
55.05506	9.1
57.07067	5.8
60.04525	19.5
67.05502	14.0
69.07071	17.0
71.08629	2.3
71.31409	1.9
79.05484	13.5
81.06645	2.8
81.07060	27.9
83.08624	6.9
91.05460	18.5
93.07037	33.3
95.08605	60.6
96.08974	3.1
97.10183	2.4
101.29788	2.2
101.64478	2.0
105.07033	43.3
107.08598	40.1
109.10156	38.9
110.10426	2.6
119.08573	31.4
121.10140	22.0
123.11704	7.5
133.10124	36.4
135.11647	5.3
145.10092	3.0
147.10614	3.1
147.11684	44.3
155.06239	2.4
161.13286	17.3
164.15515	2.3
169.07790	4.8
175.14845	10.5
183.09380	4.9
192.09618	2.1
197.74925	2.4
202.96904	2.2
203.17949	100.0
204.18292	4.4
239.15588	8.5
244.88835	2.3
262.21750	13.8
298.13956	5.1
298.19308	88.4
298.26111	5.4
298.31027	31.8
299.19803	6.0
299.27249	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65935	0.9
55.05508	1.7
62.09343	0.8
65.03935	3.9
66.03465	2.8
67.05505	2.1
69.03419	1.5
69.75981	2.9
78.03472	0.8
78.04719	1.1
78.57919	0.9
78.60706	0.7
79.05482	2.8
80.05044	1.7
81.05762	1.0
81.07053	3.3
82.06576	4.8
83.08629	1.1
85.02892	1.4
89.03911	2.0
91.05479	83.2
91.58134	0.9
92.05803	1.7
93.03387	4.1
93.05772	2.9
93.07049	3.7
94.06572	13.0
95.04974	1.7
95.08583	1.7
96.08133	8.9
100.11249	3.3
100.24097	0.9
103.05469	1.2
105.07014	1.9
106.06566	7.6
107.07331	2.3
107.08601	1.4
108.08120	17.1
108.08853	1.4
109.06516	1.3
110.06028	0.9
111.04414	1.6
116.04974	70.5
117.05771	17.4
117.06989	1.6
118.06550	19.7
119.08586	1.5
120.08099	13.6
121.06524	0.9
121.10136	1.6
123.11700	1.7
124.07591	21.2
126.06967	0.9
129.06969	1.0
130.03984	1.6
130.06520	1.2
132.08113	0.9
133.10197	1.0
134.05975	6.2
136.07585	3.8
137.05939	2.2
138.09158	2.3
141.11394	1.0
143.07355	1.2
143.08545	1.7
144.08061	6.0
145.10083	1.2
146.06001	54.9
147.06367	2.1
148.07567	9.2
152.07094	1.4
154.06569	1.0
164.07057	67.6
165.07277	2.3
166.08649	2.8
168.08105	2.3
169.07587	0.9
169.08875	1.6
170.09622	0.9
172.07616	6.7
175.07602	1.1
180.07990	0.9
181.08873	1.6
182.09706	1.8
182.15410	0.9
183.09122	2.0
183.10513	1.8
184.09940	2.4
184.11278	2.3
192.08052	1.8
193.08888	5.9
194.09729	1.0
195.09233	5.5
196.09904	3.7
197.10770	3.7
207.10403	1.4
208.11215	9.4
209.10706	15.6
210.09555	1.3
210.11507	33.6
210.14667	1.6
211.12009	3.7
212.10764	1.2
218.66248	3.4
220.09949	5.3
221.08362	3.7
221.10741	4.5
223.08760	1.2
223.12300	8.4
224.13022	9.0
225.10371	1.9
225.13855	42.1
226.14281	1.2
235.12271	8.8
236.10719	3.6
237.10168	4.0
238.10985	9.6
241.13379	3.5
243.14951	1.2
252.12627	1.2
253.13356	100.0
254.11436	1.2
254.13875	4.7
255.14914	1.6
263.11893	1.4
266.10562	1.4
271.14398	44.1
272.14856	2.5
281.12842	60.1
282.13232	3.5
299.05444	2.3
299.13889	82.6
300.14200	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
55.05516	0.4
67.05502	1.0
69.03442	0.2
69.07079	0.4
69.16122	1.0
69.16546	0.9
69.22652	0.3
73.31795	0.2
79.05493	2.8
81.07076	1.9
82.07394	0.2
91.05489	1.3
93.07063	1.1
95.04973	0.3
95.08601	2.0
98.22684	0.3
103.05486	1.2
104.06274	0.3
105.07031	54.2
106.07370	0.9
107.08591	0.9
108.08098	0.4
109.10126	0.4
110.09714	0.3
117.07022	0.4
119.08617	0.3
120.08099	1.2
122.09686	1.5
123.11706	0.4
131.70920	0.2
133.10168	0.2
134.09636	0.5
135.11702	0.7
136.11211	7.4
137.13252	0.8
140.31090	0.2
149.11934	0.3
150.12794	1.8
151.04028	0.3
151.13622	0.4
152.14293	1.2
164.14331	1.2
164.15572	0.2
165.15170	0.4
172.11275	0.4
184.11217	3.7
186.12779	0.8
188.14259	0.4
198.12695	0.3
199.13551	0.5
200.14381	0.4
202.12234	3.4
202.15941	2.5
212.14342	1.8
214.15916	0.8
226.15900	5.6
227.16594	0.7
228.17496	1.0
254.19023	1.2
256.20599	100.0
257.20926	5.5
258.22156	1.1
265.14380	0.4
300.23221	67.5
301.07040	0.3
301.23639	4.5
312.92816	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.017
Annotation	Unknow
Peak:m/z	Relative Intensity
64.00932	0.4
65.86263	0.5
68.09785	0.4
69.03400	0.4
69.72987	0.3
70.06589	0.6
71.30549	0.7
77.00959	0.5
81.04530	0.9
84.08107	0.5
85.02884	1.6
93.03386	0.9
97.02865	1.2
107.50196	0.4
113.00868	0.6
119.01905	1.6
120.95422	1.5
121.06472	0.8
122.07071	0.6
131.01877	2.1
135.04388	1.7
138.05559	0.7
138.96367	2.9
139.03917	5.1
139.05743	0.9
140.03381	0.4
140.08177	2.0
151.03854	3.1
155.01826	1.1
156.97484	17.1
163.03917	1.7
173.02942	2.0
174.98546	13.2
177.05441	0.8
180.97462	12.0
181.04936	2.0
181.97699	0.6
182.99072	1.3
192.97440	0.9
194.99066	1.2
198.98538	100.0
199.98662	5.1
201.00172	0.9
205.04933	1.4
210.98532	9.0
213.00113	1.5
216.99588	33.9
217.99699	1.4
221.05110	1.0
222.00107	1.8
222.98451	0.8
224.75327	0.5
228.99605	16.3
229.04807	0.6
229.99696	0.9
235.06015	1.5
239.06172	0.8
240.01192	0.7
240.99605	4.9
247.00742	2.9
247.03107	0.6
247.06042	1.1
252.99660	1.2
259.00620	2.6
265.07150	0.8
271.00674	1.6
277.01654	0.5
282.99725	0.5
301.01691	17.8
301.07129	0.9
301.11169	0.6
302.02344	1.6
302.13452	1.6
319.02606	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89840	0.8
56.96581	0.9
61.02920	1.3
63.10797	0.7
69.03443	1.1
69.65310	3.1
69.65726	1.4
70.34848	0.8
79.54798	0.8
81.04543	11.2
85.02939	2.8
89.40228	0.8
97.02881	1.1
98.23280	1.1
98.97637	3.0
101.00925	2.8
116.98621	2.3
119.01928	6.7
121.02871	1.0
121.06570	1.2
122.06341	1.2
122.07148	9.0
127.03905	1.0
131.01939	2.6
133.03494	1.3
137.03015	1.3
138.05539	3.3
139.03954	2.5
139.05885	2.0
140.03479	1.2
140.07166	1.3
140.08185	31.7
140.98907	1.1
143.02020	1.0
145.03494	2.0
156.97537	2.2
157.03497	1.2
158.99892	8.3
161.02985	2.4
163.04152	0.8
174.98573	1.1
175.01105	0.9
175.04518	1.4
177.00960	69.9
178.01044	6.5
179.00592	4.8
180.97540	1.4
181.06720	0.8
182.99994	1.2
185.02965	1.0
197.01558	1.0
198.98555	10.3
199.04524	0.9
199.98679	0.9
201.00974	4.9
203.03987	1.0
203.07703	1.3
204.09021	0.8
205.02359	3.7
213.05795	1.4
215.02435	5.5
216.99661	2.9
219.02008	100.0
220.02116	9.7
221.01759	9.9
222.01936	1.5
222.99507	1.6
228.99759	1.2
229.04068	1.3
231.01959	7.0
231.07172	1.6
232.02003	1.0
233.03557	58.4
234.03748	5.8
234.99927	1.1
236.43871	1.0
237.01042	1.0
241.00333	2.3
242.03735	3.1
243.02003	2.1
245.05028	1.5
247.03462	1.1
251.01166	1.5
255.02005	3.9
258.97379	3.3
259.01541	58.0
260.01736	4.9
260.04547	1.3
261.03067	24.7
264.03207	1.3
273.03043	38.7
274.03314	3.4
275.02930	1.0
275.06165	1.5
277.02579	66.1
278.02747	6.5
283.02002	1.8
293.03946	1.4
301.02625	73.2
301.08850	14.1
302.02762	7.4
302.05603	1.4
302.13498	21.7
318.98438	1.9
319.03622	39.1
320.03870	3.8
324.04266	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.4
55.01871	7.9
65.03957	2.4
68.99798	4.2
69.00988	3.7
69.01409	10.0
69.03423	2.0
75.33406	1.5
78.74294	1.5
79.05495	5.4
81.03414	1.7
83.04990	2.0
85.02908	18.0
91.05500	2.4
91.54308	1.4
93.03384	7.6
95.05002	4.2
97.02902	9.0
98.23372	2.5
103.03981	1.8
103.05478	2.7
105.07028	2.0
107.04955	6.4
109.02884	3.7
111.04433	6.7
111.50937	1.3
115.05443	1.4
117.06954	1.5
119.05008	1.7
121.02874	4.9
121.06506	3.8
122.94875	1.3
123.04430	13.0
131.04916	2.9
135.04410	29.5
139.03900	72.1
140.04274	1.4
145.06438	2.2
147.04378	3.1
149.05997	10.9
151.03906	100.0
152.04248	2.4
156.63400	1.2
159.04422	4.3
161.06023	1.5
163.03900	25.0
163.07568	1.4
165.05457	2.5
173.06039	2.9
175.03952	4.8
176.04704	1.5
177.05464	22.7
179.03372	3.3
181.04955	68.8
182.05316	2.4
189.05501	6.3
191.07092	4.6
193.05017	4.0
201.05455	9.0
205.04968	56.0
206.05379	1.7
217.05025	6.9
219.06508	3.1
229.04990	3.4
235.06004	33.3
236.06255	1.9
246.92815	1.3
247.06030	32.0
248.06114	1.5
265.07062	11.0
273.39563	1.3
283.08389	2.9
301.09155	6.0
301.12408	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0918
Annotation	glucosyl salicylate
Peak:m/z	Relative Intensity
51.81407	1.5
53.03937	2.7
53.76607	1.1
55.01872	12.4
55.05518	1.5
57.03440	5.1
59.47403	1.1
61.02924	7.0
65.03946	4.3
67.05508	2.0
68.99795	5.2
69.03428	9.1
71.01361	1.6
71.03952	2.7
71.04979	1.6
73.02920	3.3
79.05484	6.2
81.03417	5.0
81.07067	1.3
83.04979	3.3
85.02908	54.7
86.03218	1.1
87.04475	1.9
91.03970	2.8
91.05483	7.2
93.03403	7.6
93.07055	4.6
95.04984	6.1
97.02888	18.5
97.34086	1.2
99.04495	1.8
103.03956	3.1
103.05473	4.2
105.03403	2.5
105.06956	1.3
107.04960	6.7
109.02874	9.6
111.04469	8.3
113.05914	1.4
115.05460	4.7
117.07025	5.0
119.04905	1.2
121.02882	4.9
121.06509	35.3
121.07353	2.3
122.06853	1.5
123.04440	13.8
127.03921	7.9
128.06247	2.8
129.07001	3.0
131.04958	3.9
131.08569	5.2
133.06532	2.0
135.04428	31.9
135.08038	1.9
139.03899	79.8
140.04237	1.3
141.05473	1.3
141.06982	4.3
144.05673	2.2
145.04933	9.5
145.06454	7.4
147.04448	3.3
149.05960	10.1
151.03905	100.0
151.07530	2.9
155.08620	1.7
157.06493	5.2
159.04439	5.1
159.08047	9.3
161.05980	3.7
163.03912	29.8
163.06035	1.3
163.07587	4.5
165.05504	4.5
169.06491	1.8
171.08066	2.2
173.05954	3.4
175.03914	4.1
175.07541	8.6
176.04619	1.9
177.05493	22.0
179.03375	2.4
179.07011	2.8
180.90494	1.3
181.04961	70.6
182.05312	2.2
183.08008	2.1
185.05997	4.3
187.07553	22.7
189.05484	4.2
191.07083	4.8
193.04991	4.0
199.07610	1.7
201.05481	8.6
205.04974	47.5
205.08548	7.1
206.05377	1.7
217.04982	9.1
217.08670	3.8
219.06512	3.8
229.04993	4.6
229.08583	5.2
235.06018	27.5
235.09631	2.3
247.06015	29.4
247.09691	3.5
265.07043	11.6
271.15796	1.2
283.08139	3.2
301.09811	7.5
301.12607	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
58.65185	0.4
64.74799	0.3
65.03918	0.7
67.05486	0.7
68.99786	0.6
70.06594	0.8
71.29134	0.7
75.23588	0.4
79.05494	0.9
85.02890	0.6
85.47021	0.4
91.05473	0.5
95.04967	0.9
105.07028	0.7
107.04943	0.5
111.04462	0.5
121.06487	3.8
123.04407	1.1
129.07043	0.5
131.04907	0.4
135.04398	2.2
136.06187	0.5
137.05891	0.8
139.03902	9.0
146.22998	0.3
149.05960	1.9
151.03879	1.8
151.98106	0.4
153.07008	1.0
161.05972	0.7
163.03923	1.8
165.01804	1.1
165.06953	0.5
177.05479	2.7
181.05014	0.4
181.06526	1.6
183.02893	0.8
185.04214	0.7
191.03464	0.4
199.07556	0.5
201.05513	0.5
205.04921	0.4
209.05959	0.9
213.05498	1.3
227.07004	1.1
227.11861	0.4
227.94362	0.4
231.06503	0.3
232.40944	0.4
237.05472	0.7
245.08058	0.4
255.06563	2.0
255.08746	0.4
255.11414	0.5
269.08017	0.4
273.07611	1.0
283.05991	2.1
301.07013	6.1
301.12570	100.0
302.07498	0.4
302.12964	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88609	0.4
56.24057	0.4
65.54221	0.4
67.05507	0.5
69.45792	1.9
70.06605	0.5
79.05466	0.4
85.02908	1.1
97.02879	0.5
98.22683	0.8
121.06503	0.5
126.05293	0.4
139.03906	0.8
139.07329	0.4
139.08652	0.4
139.28053	0.4
153.21104	0.4
156.07730	0.5
165.07057	0.5
171.07748	0.6
181.06433	0.5
209.05832	0.4
213.05423	0.5
220.94481	0.3
255.06572	0.5
269.15118	0.6
283.06143	0.5
301.12585	100.0
302.12958	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.8
52.01530	1.2
52.88787	1.1
53.03955	3.4
54.26750	1.1
55.01875	11.1
57.03429	6.9
61.02934	8.7
65.03944	3.5
67.05516	4.5
68.99801	5.5
69.03432	15.5
69.21418	2.2
69.21753	11.0
71.01353	2.9
71.05010	1.6
73.02908	5.0
79.05505	6.2
81.03428	8.9
81.84239	1.2
83.01363	1.3
83.05029	1.3
85.02908	79.4
87.04470	2.2
88.58464	1.3
91.03973	4.4
91.05478	12.1
93.03403	8.4
93.07059	5.7
95.04969	8.5
95.36668	1.1
97.02894	22.5
97.94965	1.3
98.23398	2.6
99.04453	3.0
103.03948	4.9
103.05457	6.5
105.03444	1.6
105.04571	1.8
105.07030	3.0
107.04940	7.1
109.02883	9.6
111.04445	9.3
112.07563	1.2
115.05470	5.0
115.39443	1.1
117.07012	9.8
117.92381	1.2
121.02879	4.1
121.05631	2.7
121.06509	56.3
123.04418	16.2
127.03909	13.7
128.06184	1.7
129.07008	3.8
131.04942	4.6
131.06116	1.1
131.08569	7.6
133.06479	3.5
135.04413	38.5
135.08018	3.0
137.06015	1.8
139.03900	96.0
140.04271	2.7
140.26483	1.2
141.07027	8.1
143.08557	1.6
144.05722	5.9
145.04947	16.3
145.06502	9.2
147.04445	3.8
149.06004	11.6
151.03906	100.0
151.07574	4.6
152.04187	3.2
153.06996	2.6
155.08578	3.6
157.06509	7.7
158.07274	2.2
159.04411	4.9
159.08047	15.4
160.08330	1.8
161.05988	2.7
163.02399	1.5
163.03915	31.5
163.06061	2.9
163.07567	5.1
165.05482	3.2
169.06534	3.6
171.08038	3.3
173.06013	2.5
175.03973	4.0
175.07510	11.7
177.05469	24.6
179.03473	2.4
179.07082	4.3
181.04958	68.3
182.05382	1.5
183.08089	5.0
185.06027	3.8
187.07549	38.6
188.07898	1.9
189.05489	5.7
189.09123	1.9
191.07077	3.6
193.04961	3.0
199.07614	1.8
201.05490	7.9
201.09204	3.6
203.03287	1.6
203.07076	1.5
205.04958	50.8
205.08534	12.3
206.05312	2.2
211.07535	1.8
217.05006	7.7
217.08650	5.9
219.06526	4.9
229.05032	5.7
229.08597	5.9
231.28523	1.3
235.06012	25.4
235.09731	4.5
236.06169	2.5
237.05704	1.4
247.06021	28.2
247.09706	5.5
247.66125	1.5
265.07111	12.0
273.07712	1.9
283.05737	3.0
283.08258	3.7
291.15381	1.4
301.06964	5.8
301.09387	7.7
301.12646	13.3
301.18384	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
55.01869	11.9
55.05518	2.1
57.03426	7.3
59.41828	1.3
60.14475	1.6
61.02918	10.0
65.03936	4.3
67.05497	4.6
68.99783	6.5
69.03426	15.3
70.03805	1.3
70.06586	1.6
71.01373	2.7
71.03693	2.4
72.74461	1.2
73.02897	2.9
74.78252	1.3
79.05492	5.0
81.03420	10.8
83.04980	3.4
85.02904	81.8
87.04482	2.2
91.03969	3.9
91.05471	11.2
93.03401	7.2
93.07035	5.3
95.04964	6.1
97.02887	21.0
97.83894	1.5
99.04465	3.2
103.03941	4.8
103.05476	7.1
105.07043	4.1
107.04924	6.7
109.02885	9.6
111.03756	1.5
111.04414	7.6
115.05463	4.6
116.06192	1.8
117.06992	8.4
117.81194	1.5
119.04914	1.7
121.02863	3.9
121.06504	55.1
123.04430	14.8
127.03920	15.1
128.06235	2.1
129.07047	7.1
131.04955	6.6
131.08580	9.0
131.09476	1.1
133.06485	3.2
135.04407	35.5
135.08020	2.2
136.04759	1.4
137.05980	2.6
139.03900	100.0
140.04254	3.7
141.07007	8.8
144.05688	5.1
145.04950	16.3
145.06483	10.5
147.04414	3.7
147.08070	2.0
149.05984	9.7
151.03899	92.3
151.07494	5.3
152.04248	1.9
155.08542	2.7
157.05334	1.3
157.06442	8.3
158.07130	2.0
159.04408	6.0
159.08029	17.5
161.05966	5.6
163.02246	3.4
163.03899	32.7
163.06042	3.0
163.07536	5.2
165.05505	4.1
169.06514	4.1
171.08075	3.1
173.06012	4.8
175.03900	3.4
175.07558	15.0
177.05440	20.1
178.05826	1.6
179.03410	2.8
179.07054	4.5
181.04959	60.8
181.06334	2.2
182.05334	1.8
183.08116	4.7
185.05954	5.9
187.07529	36.8
189.05428	6.5
189.09081	3.0
191.07027	5.8
193.04916	2.1
199.07552	2.4
201.05479	8.0
201.09131	3.8
201.44536	1.6
203.03416	2.5
203.07138	1.7
204.21254	1.6
205.04967	47.9
205.08559	12.2
206.05402	1.8
211.07553	2.6
213.05515	2.1
217.04974	10.0
217.08582	4.3
219.06604	2.3
229.04906	5.3
229.08604	6.9
235.06021	32.4
235.09515	2.5
247.06013	26.7
247.09659	5.2
255.06525	3.3
265.07074	9.1
273.07648	2.0
282.92316	1.4
283.05984	5.9
301.06494	11.3
301.09525	6.0
301.12234	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
55.01871	2.8
55.05511	1.8
61.12477	1.4
67.05491	3.1
68.99792	1.3
69.03425	2.1
69.05110	3.8
69.05531	8.4
71.05005	1.7
73.33521	1.2
79.05492	5.1
79.46622	1.2
81.07054	5.0
91.05481	41.5
93.07029	4.3
94.04182	4.2
95.04974	6.1
95.08606	2.1
98.23351	3.7
103.05476	5.7
105.07034	10.2
105.90707	1.3
107.04952	10.5
109.06500	5.9
109.10155	2.0
115.05470	5.7
116.06242	6.0
117.07017	5.6
119.04944	13.7
119.08586	4.2
121.02874	1.4
121.06489	11.8
122.03656	7.8
123.04440	5.1
125.06003	2.6
129.07018	8.5
131.04930	100.0
131.08569	43.4
132.05264	2.1
133.06516	8.7
133.10095	2.0
134.03633	2.4
135.04413	6.0
135.08054	2.3
136.05162	1.9
137.05980	74.5
138.06386	2.0
139.03876	3.3
141.07004	8.4
144.05714	10.3
145.06488	6.4
145.10149	2.8
146.03609	1.6
147.08084	1.8
149.05977	11.6
150.06738	5.6
151.03918	6.5
151.07539	37.9
152.06223	8.9
153.07011	6.9
155.04912	1.6
157.06502	2.8
158.07167	2.0
159.08051	69.4
160.08405	2.5
161.05988	4.2
161.09578	1.3
163.03987	1.9
165.06995	10.7
166.07823	7.4
167.08560	11.5
169.06450	3.1
169.07697	3.2
169.10167	1.4
171.08110	2.2
175.07565	2.1
177.05470	4.2
177.07025	3.5
177.09091	20.8
178.07758	2.7
179.08607	4.8
180.09300	2.0
180.37642	1.3
181.06451	10.4
181.10181	2.6
182.07243	6.5
183.04404	1.5
183.07959	2.9
189.09059	1.7
190.07770	2.8
191.08575	3.2
194.07304	13.8
195.08031	27.6
197.05959	6.8
197.09608	5.4
198.06805	3.5
199.07523	4.3
205.06596	2.9
205.10091	3.8
206.07245	2.2
207.08070	4.0
209.06105	3.1
209.09647	9.2
210.06787	5.1
211.07526	5.4
212.08226	2.6
213.08961	2.1
217.04921	2.3
218.07275	1.6
219.07991	1.5
221.05907	1.9
222.06734	10.6
223.07535	18.3
223.11087	7.3
224.08148	2.4
225.05476	2.5
225.09073	8.6
226.06198	3.2
227.07072	2.9
227.10678	2.0
233.09529	2.6
237.09091	28.2
238.09361	1.8
239.07027	3.9
240.07814	7.3
241.08611	6.5
241.12239	5.3
242.09349	5.9
251.10652	7.3
254.09373	2.9
255.10165	70.4
256.10486	4.5
257.11850	6.7
265.12173	1.7
268.10919	2.1
269.08029	2.6
269.11710	3.7
272.10336	2.5
273.04007	1.9
283.13287	38.6
284.13577	3.2
301.03452	4.3
301.07126	3.2
301.10672	15.2
301.14337	15.0
301.21671	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.01873	38.6
55.05511	32.4
57.03440	52.3
57.07069	1.1
59.04985	1.4
60.02141	1.7
61.02925	2.0
65.03925	2.0
67.05508	27.6
68.99803	0.7
69.03423	6.9
69.07068	11.1
69.95014	2.0
70.04202	1.5
71.01348	1.0
71.04984	2.6
73.02920	15.9
79.05493	29.1
80.05829	0.9
80.06268	1.1
81.03413	6.4
81.07053	21.4
82.04208	7.1
83.01358	1.0
83.04979	19.2
83.08620	12.3
84.02141	1.2
84.05757	2.2
85.02898	1.9
85.06565	1.4
87.04462	2.3
91.05480	19.1
93.07047	16.9
94.04191	1.3
94.07826	1.5
95.04967	12.7
95.08618	5.6
97.02885	2.5
97.06524	9.8
97.10169	20.0
98.07311	10.9
98.10522	0.8
99.04482	1.1
99.08076	1.8
101.06023	4.2
105.03394	0.8
105.07024	10.0
106.07859	0.8
107.04987	4.5
107.08595	15.9
109.06499	2.9
109.10152	5.2
111.04474	1.3
111.08076	4.9
111.12933	0.8
115.05476	1.4
115.07578	1.3
116.04713	46.3
117.07012	4.1
119.04893	1.1
119.08587	8.2
121.06506	2.2
121.10129	3.7
123.08098	4.4
125.06027	1.0
125.09631	23.7
126.10435	1.2
128.06207	1.0
129.05481	100.0
129.07019	4.9
130.05800	1.5
131.04921	2.6
131.08559	6.5
132.09102	0.8
133.06464	1.1
133.10127	8.2
135.08058	3.7
135.11679	2.7
136.08888	1.8
137.05974	2.7
137.09592	2.2
143.07034	22.0
143.10641	2.1
145.10112	3.5
147.08069	2.4
147.11696	5.6
149.09648	2.7
151.03874	1.1
151.07541	1.1
153.06992	1.1
153.09120	2.7
157.08621	40.7
157.10083	5.3
158.09021	1.3
159.08044	2.3
159.11668	0.9
163.11195	2.7
164.12009	1.6
165.06989	0.9
165.12764	2.3
171.10179	16.9
175.11183	4.4
177.09129	1.6
181.06526	1.6
181.12131	1.2
185.11781	4.1
185.13200	0.9
189.11217	22.5
192.11537	1.4
193.12242	2.4
195.08060	1.5
199.13284	9.0
200.14063	9.3
213.11113	1.0
213.14778	1.3
217.05008	2.9
227.12759	14.8
237.09152	1.3
245.04523	1.6
253.02937	0.8
255.10193	1.8
255.15869	2.2
267.15750	0.9
273.03894	2.5
283.13132	1.1
301.03461	4.7
301.06552	0.9
301.10800	3.5
301.16455	32.8
301.21771	3.7
302.04276	1.7
302.16733	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01876	33.1
55.05240	1.6
55.05514	33.1
56.63737	1.0
57.03437	56.5
57.07087	1.3
60.02146	1.2
61.02927	3.6
65.03934	2.2
67.05508	27.2
68.99786	2.0
69.03438	6.9
69.07070	10.9
69.11407	2.3
69.11805	8.2
70.04227	1.5
71.01356	1.1
71.04992	4.7
73.02923	16.6
79.05499	30.4
81.03413	7.6
81.07064	22.9
82.04209	7.1
83.01279	1.0
83.04982	20.1
83.08624	10.7
84.05767	1.8
84.43098	1.0
85.02914	3.3
85.06554	2.2
87.04467	2.5
87.47711	1.0
91.04965	1.7
91.05487	21.8
93.06478	1.8
93.07044	17.4
93.22902	1.0
94.07848	1.2
95.04974	13.8
95.08601	9.2
95.86694	1.0
97.02893	3.9
97.06525	8.2
97.10168	19.8
98.07336	10.1
101.06003	3.0
103.05486	1.8
105.07033	16.3
107.04980	5.3
107.08599	14.8
109.06517	3.4
109.10151	5.0
111.04468	2.0
111.08080	4.4
115.05458	2.0
115.07565	1.1
116.04712	41.4
117.07011	5.3
119.04935	2.9
119.08571	8.8
121.06519	3.3
121.10167	6.0
123.08078	7.4
125.09636	20.7
126.10395	1.0
129.05484	100.0
129.07034	4.2
130.05792	2.7
130.07851	1.6
131.08606	6.7
133.06514	1.7
133.10117	10.6
135.08063	3.7
135.11658	5.2
137.06015	3.3
137.09654	1.9
139.03931	5.0
142.07785	1.2
143.07042	21.9
143.08647	2.5
145.06519	2.5
145.10129	5.6
147.11702	7.2
149.05974	2.1
149.09621	2.2
151.03966	1.4
151.07559	7.0
153.01826	1.7
153.06989	1.6
153.09100	1.6
157.08618	46.2
157.10100	6.4
158.09085	1.3
159.11714	1.7
163.11171	3.9
164.12007	1.4
165.01888	7.6
165.12729	1.9
167.07228	1.7
171.10187	15.9
173.09660	1.4
175.11212	3.6
177.09105	1.4
179.03410	2.0
181.06506	2.4
181.12245	1.8
183.02954	4.4
185.11743	4.3
187.14847	1.6
189.05554	1.1
189.11224	28.5
189.12854	2.1
193.12283	3.8
196.92624	1.2
197.05908	1.2
199.13300	9.4
199.14926	1.3
200.14111	9.4
209.06056	1.4
209.09642	1.2
213.14815	1.4
217.04950	3.7
219.44548	0.9
223.13213	1.4
227.12820	11.9
232.25890	1.1
241.12222	2.2
245.04459	4.0
255.06580	1.2
255.15994	1.3
259.10760	1.2
273.03992	4.1
283.15604	1.3
283.20316	1.3
301.03595	7.3
301.07077	3.4
301.10855	4.3
301.16516	36.2
301.21475	9.3
302.04230	2.1
302.17026	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
53.63391	0.7
53.67153	0.8
55.01872	34.9
55.05510	32.7
56.70202	0.8
57.03438	54.5
57.07058	1.9
58.03777	1.0
59.04994	2.5
60.02130	1.9
61.02906	3.2
62.35640	0.8
66.72690	0.7
67.05507	28.5
69.03432	7.8
69.07074	11.2
69.27729	1.7
69.28132	4.0
70.04217	1.3
71.01344	1.6
71.04988	3.0
73.02919	16.0
77.03940	0.9
79.05495	28.6
80.06269	0.9
81.03423	6.4
81.07059	21.4
82.04196	7.4
83.04985	18.3
83.08614	10.4
84.02122	0.9
84.05791	1.3
85.02900	2.3
85.06548	1.3
87.04466	2.1
91.05481	18.3
93.07043	18.7
94.04185	0.8
94.07841	1.2
95.04974	12.7
95.08607	8.0
97.02893	2.1
97.06530	8.8
97.10172	19.9
98.07313	11.7
99.08062	1.4
101.06005	3.8
105.07029	11.6
107.04949	3.5
107.08597	12.6
108.05775	0.9
109.06493	4.2
109.10169	5.3
111.04461	2.1
111.08068	5.1
113.06009	1.0
115.05434	1.0
115.07589	1.1
116.04709	44.5
117.07021	3.8
119.08574	9.0
119.59311	0.8
121.06503	2.0
121.10131	6.0
123.08078	5.3
125.09632	21.0
126.10459	1.6
129.05478	100.0
129.07033	3.3
130.05833	1.7
131.08562	5.5
133.10117	7.5
135.08052	3.5
135.11681	3.5
136.08807	1.1
137.09604	2.4
139.07542	0.9
143.07040	19.9
143.08287	1.5
143.08562	1.4
143.10664	1.6
145.10139	3.5
147.08037	1.7
147.11691	7.0
149.09644	2.3
151.11168	1.0
152.06348	1.1
153.09120	2.8
157.08618	41.9
157.10095	5.2
163.11224	4.3
164.11993	1.5
165.12804	2.7
167.10780	1.0
171.10182	13.0
173.13237	1.8
175.11163	3.9
181.12225	1.8
185.11765	3.6
189.11215	26.2
189.12859	1.6
190.11508	0.9
191.03314	0.9
191.10582	1.1
193.12248	2.6
199.13287	9.7
200.14104	9.8
210.12497	1.6
223.13266	1.1
227.12750	13.4
241.08670	1.7
255.15919	1.6
255.21140	0.9
301.03571	1.9
301.08820	3.1
301.10968	1.8
301.16476	35.6
301.21466	5.5
301.24658	1.2
302.16919	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.7
54.86683	0.4
61.02921	0.8
63.79472	0.4
64.50466	0.5
67.05524	0.5
69.03432	1.4
69.67979	2.2
70.06597	1.2
81.03461	0.6
81.04549	6.8
84.08138	1.2
85.02895	2.6
97.02904	1.1
97.06552	0.9
98.23247	0.5
98.97598	1.8
101.00884	2.9
102.09203	0.5
105.07044	0.7
112.77669	0.4
116.85922	0.5
116.98658	1.1
119.01933	7.8
122.06033	6.8
122.07146	5.2
124.07585	0.6
131.01930	1.0
133.06516	0.7
134.99831	0.8
137.02943	1.8
139.03967	0.6
140.03442	6.1
140.07071	5.1
140.08192	16.6
141.05255	1.6
152.07098	1.1
158.99959	0.9
159.04433	1.1
163.03941	1.8
166.53003	0.5
173.02950	0.6
176.99522	0.9
177.00975	13.3
178.01031	3.6
179.00719	1.0
182.99706	0.6
197.06686	0.7
199.98680	1.0
200.98257	0.5
201.00980	1.6
205.02167	0.6
206.02336	0.7
217.04060	1.9
218.03836	1.3
219.02026	23.2
220.02112	7.1
221.01776	2.4
221.04941	0.7
225.00729	2.5
226.00949	0.5
234.03700	2.8
235.03407	0.9
243.01956	8.3
244.02299	1.0
260.01688	1.8
260.04724	3.1
261.03079	100.0
262.03201	9.4
265.02448	0.5
274.03134	1.2
278.02701	1.9
278.96655	1.0
279.02298	1.0
284.00131	1.2
284.04526	3.4
290.48581	0.5
296.98041	0.7
301.01108	0.8
301.98407	0.6
302.02090	2.8
302.05740	12.1
302.09198	3.7
302.13297	11.4
303.00833	1.1
303.05493	1.1
303.10574	12.5
303.13559	1.1
312.07959	0.5
320.03687	1.6
321.03140	0.7
321.51419	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72017	3.1
53.03938	5.2
54.19443	3.2
55.05517	4.1
57.03438	6.7
61.02943	6.6
67.01880	3.3
67.05508	9.5
69.03434	13.1
69.07050	4.3
69.43666	15.8
70.06580	3.8
79.05498	4.4
81.03432	11.6
81.07049	8.7
82.06596	3.2
85.02904	92.8
95.04961	5.3
95.08597	6.2
97.02891	45.3
103.03984	5.9
108.08125	14.0
109.02892	9.3
119.72216	2.9
122.06059	13.5
122.09683	4.4
123.04436	8.4
124.11237	4.2
125.06020	8.9
126.05519	5.0
126.09209	4.7
127.03910	15.1
128.07071	6.8
136.07562	19.8
139.03917	5.7
140.07063	40.9
141.09128	3.5
144.13924	3.7
145.04939	16.1
149.06044	4.1
150.06357	6.3
150.09134	7.6
152.07047	21.4
153.01898	7.5
154.08649	6.5
158.11789	22.0
163.07607	3.1
164.07069	21.6
177.05524	8.8
178.05898	5.7
178.08653	20.9
182.06538	6.2
182.08134	100.0
192.25041	3.3
199.03923	4.4
206.08122	41.5
245.04462	7.0
248.09254	11.2
273.04007	4.9
285.12283	6.9
302.04294	3.7
302.11981	12.3
302.19644	23.5
303.04996	50.7
303.08569	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.07471	0.6
56.96571	0.6
57.03424	1.4
61.02921	2.2
65.03948	1.1
67.05501	28.7
69.03417	3.2
69.27721	4.2
70.06586	3.8
72.08159	0.9
73.02925	0.9
79.05500	3.7
81.03400	1.5
81.04530	4.6
81.07057	0.7
81.29299	0.7
81.97793	0.8
82.06553	1.2
84.04511	1.1
84.08154	1.7
85.02907	8.0
86.06051	1.3
87.04449	0.8
94.06565	31.2
95.04968	1.5
96.04460	0.8
97.02882	2.3
98.97550	0.7
99.04428	0.8
101.00883	1.2
105.03391	1.5
107.04934	0.8
109.02921	0.9
110.06052	4.2
112.07588	1.4
119.01910	2.3
121.06479	0.8
122.06023	100.0
122.07049	3.4
123.04432	1.9
123.06372	2.2
124.07548	1.5
127.03935	1.6
131.01917	2.3
136.07513	0.7
139.03931	0.7
140.03406	3.5
140.07059	19.1
140.08189	10.0
141.05226	7.2
145.04967	1.7
151.55399	0.7
152.07082	0.9
155.02031	0.8
157.95300	0.7
158.08182	1.0
173.03004	1.3
177.05923	0.7
178.05832	0.7
185.04219	3.2
201.06056	3.1
203.05339	1.2
213.06075	2.1
219.07216	0.8
221.05013	0.9
231.07156	1.2
243.07048	1.7
261.03000	2.0
302.07947	1.0
302.13486	8.5
303.04892	2.0
303.10590	24.1
321.10245	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
55.01876	2.7
55.05515	2.4
57.03438	4.5
61.02939	7.0
62.10141	1.0
65.03942	1.7
67.05505	8.7
68.69581	1.1
69.03431	13.6
69.07069	2.0
70.06597	4.0
71.05003	2.3
72.08158	2.3
73.02927	4.3
79.05489	6.7
81.03415	8.9
81.07047	10.7
83.07372	1.1
84.08153	1.8
85.02908	100.0
91.03963	1.0
91.05495	2.3
93.07073	1.3
94.06586	3.2
95.04967	6.4
96.04512	1.2
97.02895	47.1
97.03513	2.5
97.06540	2.8
99.04446	2.8
103.03957	6.1
105.04527	1.2
105.07025	1.7
107.05001	2.2
108.08122	16.5
108.69272	1.2
109.02898	15.7
109.06548	3.1
110.06033	2.5
112.07624	2.5
122.06034	9.9
123.04396	1.3
124.11263	2.1
125.05997	9.7
126.05501	8.7
126.06189	1.0
126.09171	6.8
127.03934	17.1
135.06725	1.2
136.07579	25.7
137.06007	1.1
138.05495	2.0
140.07062	52.6
141.07452	1.2
145.04959	11.2
149.02367	2.6
150.09131	7.8
151.03931	1.3
152.07080	23.6
153.01843	2.1
153.05544	1.3
154.08643	9.3
156.07454	1.2
158.11780	11.5
161.06029	2.3
163.06076	1.9
164.07076	29.0
167.07077	2.1
177.05466	2.1
178.08644	18.0
182.08138	98.4
183.08469	2.8
201.05499	1.1
206.08139	42.6
218.08221	4.5
219.30125	1.2
229.05077	1.8
236.09151	2.7
244.69394	1.3
248.09227	11.2
257.04385	1.3
267.11246	1.3
276.39377	1.2
285.04041	1.3
285.12662	1.4
302.14117	1.5
302.19669	13.5
303.05038	15.5
303.08521	2.1
303.14087	3.8
316.02655	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44136	0.3
50.44516	0.3
51.98152	0.3
54.03463	1.1
57.03427	1.0
60.33744	0.3
61.02921	1.8
64.81791	0.3
69.03425	3.6
69.97800	0.3
70.06586	0.3
70.47526	0.7
71.04982	0.8
73.02898	1.5
80.33485	0.3
81.03442	1.1
81.04538	42.9
82.04253	0.3
85.02904	4.6
87.04449	1.0
87.74151	0.3
94.06549	0.4
96.56664	0.3
97.02899	1.8
99.04478	0.4
100.91763	0.3
101.00922	0.8
102.09100	0.3
109.02869	0.8
119.01897	0.7
119.05577	0.3
121.02832	0.3
122.07147	30.2
123.05495	0.5
124.08701	0.9
127.03910	0.9
131.01926	0.6
133.52672	0.3
138.05504	1.0
140.08179	100.0
141.05215	0.4
141.08627	1.6
152.07069	0.3
157.97505	0.3
173.03029	0.4
181.97653	0.6
183.05058	0.4
186.06119	0.3
197.02779	0.4
198.98563	0.8
199.98639	3.1
200.98315	1.2
217.99632	0.6
302.13458	75.7
303.10321	1.3
303.13498	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01867	1.0
57.03441	1.8
61.02932	6.3
63.74449	0.7
65.03925	1.5
67.05531	0.8
68.54166	0.6
68.99789	2.4
69.03436	10.4
70.26358	0.9
70.26698	1.8
71.04994	0.9
73.02914	1.9
81.03421	4.6
85.02908	56.1
86.03235	1.3
87.04459	1.9
91.03954	3.6
93.03407	0.9
95.04995	1.0
97.02895	12.0
99.04449	2.2
101.02393	0.7
105.07040	4.4
109.02882	6.1
110.53822	0.7
111.00777	2.0
117.06982	1.1
121.02847	2.4
123.04372	1.0
127.03069	0.9
127.03931	11.1
134.32928	0.6
137.02344	9.2
139.03934	0.8
145.04962	21.3
145.06224	0.8
146.05205	0.8
151.03914	1.1
153.01820	12.1
155.04919	1.9
161.06070	1.0
163.03931	2.6
163.06036	6.1
165.01831	3.7
173.05988	1.3
183.02931	1.4
183.04405	0.9
187.03880	0.8
191.03459	0.8
201.05420	4.4
211.03818	0.7
215.03331	0.9
219.02711	0.8
229.04948	9.6
239.03406	1.1
247.05936	1.8
257.04492	5.1
274.04898	1.8
285.03989	2.5
303.04993	100.0
303.56421	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38264	0.6
54.41439	0.6
57.98903	0.7
65.38129	0.7
69.01991	2.7
69.02416	2.9
89.07520	0.6
89.28925	0.5
98.22620	1.2
101.00890	3.8
119.01931	7.7
120.02008	0.9
126.30976	0.6
133.73065	0.5
135.54205	0.6
137.02916	1.4
140.34538	0.6
141.57031	0.6
141.98938	0.7
158.99901	1.5
159.99971	1.4
177.00949	11.9
178.00996	6.3
179.00693	2.8
201.00961	2.8
202.00996	1.2
217.04073	2.5
218.04135	1.2
219.01993	22.0
220.02119	11.5
221.01755	4.5
225.00923	1.5
226.01181	1.1
228.87317	0.7
242.98486	0.7
242.99434	0.8
243.01968	9.1
244.02115	6.0
245.01855	1.5
257.49274	0.6
261.03043	100.0
262.03192	65.3
263.02841	19.5
266.98926	0.7
279.00790	0.8
283.00024	1.2
284.04507	1.5
284.99820	4.5
285.04807	1.8
291.04953	0.6
301.01016	1.5
303.00922	6.1
303.05969	9.6
304.00836	0.8
304.05499	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03958	0.2
55.01868	0.4
58.07101	0.1
65.03937	0.8
65.23364	0.2
67.01854	0.6
67.05484	0.3
68.32097	0.1
68.99789	2.3
69.02926	0.1
69.03049	0.2
69.03416	1.5
71.49403	0.2
74.67535	0.1
81.03432	0.8
91.05473	0.2
93.03402	0.6
94.66397	0.2
95.04986	1.0
98.23403	0.3
103.05494	0.2
105.03392	0.3
105.07006	0.2
107.01321	0.2
107.04971	0.2
109.02892	1.0
111.00806	2.4
115.05418	0.3
117.07031	0.3
119.04979	0.2
121.02873	2.8
123.04430	0.8
127.03888	0.4
128.06245	0.2
131.04933	0.3
133.06476	0.3
135.04416	0.5
137.02345	9.0
137.03380	0.5
138.02719	0.2
145.02812	0.3
145.06505	0.9
149.02390	0.7
151.03871	0.2
153.01830	11.2
154.02176	0.2
155.04900	1.2
155.06067	0.3
157.06509	0.2
159.04350	0.3
161.06000	1.0
163.03928	1.3
165.01834	4.4
166.02647	0.4
173.05963	1.6
177.01793	0.2
177.05487	0.3
179.03424	0.4
180.65385	0.1
183.02893	1.9
183.04419	0.8
187.03908	1.4
191.03433	0.4
191.07022	0.3
195.02930	0.5
201.05460	5.2
203.03340	0.2
205.05057	0.5
207.02884	0.3
211.03970	0.3
213.05510	0.3
217.04912	0.2
219.02901	0.3
219.06580	0.6
228.04160	0.6
229.04961	10.9
230.05342	0.3
232.03592	0.2
233.04393	0.2
239.03412	0.5
246.05348	0.2
247.06046	1.5
257.04453	5.4
258.04807	0.3
274.04718	1.5
275.05435	0.5
285.03949	2.8
303.04984	100.0
304.05328	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
54.80832	0.2
55.01866	0.4
56.86185	0.2
65.03915	0.6
67.01861	0.4
68.99789	2.8
69.03416	0.2
69.27272	1.4
69.27599	0.3
72.58845	0.2
81.03400	0.7
93.03395	0.7
95.04968	1.0
95.05473	0.2
103.05433	0.3
105.03403	0.4
107.04967	0.2
109.02863	1.0
111.00788	2.1
115.05479	0.3
116.05804	0.2
117.06993	0.3
121.02870	2.4
123.04448	0.9
127.03887	0.5
131.04980	0.4
133.02904	0.2
133.06453	0.2
135.04391	0.6
137.02339	8.0
137.03365	0.5
145.02808	0.2
145.06453	0.8
149.02312	0.7
151.03885	0.4
153.01820	10.9
155.04909	1.4
155.06012	0.3
159.04405	0.3
161.06004	0.7
163.03914	1.5
165.01828	3.9
166.02515	0.2
173.05962	1.9
177.01802	0.3
177.05443	0.4
179.03429	0.3
183.02884	1.7
183.04419	0.9
187.03888	1.0
191.03352	0.4
195.02904	0.5
200.04753	0.2
201.05449	4.3
205.04919	0.3
207.02866	0.3
211.03850	0.6
213.05479	0.3
215.03343	0.4
219.06465	0.6
228.04242	0.6
229.04947	10.2
230.05383	0.3
236.39510	0.2
239.03471	0.5
243.05678	0.2
245.04477	0.4
247.06000	1.0
257.04437	4.9
258.05191	0.2
274.04706	1.5
275.05469	0.2
285.03931	2.3
303.04971	100.0
304.05307	5.2
312.11707	0.2
318.70834	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.1
54.91261	0.1
55.01855	0.6
61.08472	0.1
65.03925	0.6
67.01848	0.3
67.05488	0.3
68.99437	0.3
68.99782	2.6
69.03419	0.3
70.61383	0.3
70.61740	0.2
81.03419	0.7
91.05469	0.2
93.03400	0.8
95.04969	1.1
97.02859	0.2
103.05463	0.2
105.03379	0.2
105.07000	0.3
107.04956	0.2
109.02869	1.1
111.00793	2.1
111.04456	0.2
115.05482	0.2
117.07010	0.4
121.02859	2.2
123.04440	0.6
127.03877	0.4
127.05423	0.2
129.06912	0.1
131.04936	0.3
131.58244	0.2
133.02809	0.1
133.06458	0.2
135.04398	0.3
137.02339	8.5
137.03358	0.5
137.05849	0.2
138.02649	0.2
143.04930	0.2
144.84639	0.1
145.02803	0.5
145.06442	0.7
149.02325	0.9
151.03905	0.1
152.13812	0.1
153.01817	11.2
154.02162	0.2
155.04900	1.4
155.06041	0.3
157.06511	0.2
159.04390	0.4
161.05991	0.7
163.03900	1.6
163.19797	0.1
165.01826	4.4
165.71254	0.1
166.02560	0.6
173.06000	1.4
177.01837	0.2
177.05519	0.3
179.03358	0.4
183.02866	1.4
183.04420	1.0
184.05215	0.2
185.05890	0.2
187.03891	1.2
191.03362	0.4
191.06972	0.3
195.02867	0.6
201.05460	4.5
201.07307	0.2
205.04941	0.4
207.02905	0.2
211.03920	0.5
213.05453	0.2
215.03262	0.3
217.04900	0.1
219.02881	0.2
219.06587	0.8
228.04190	0.9
229.04947	10.6
230.05385	0.3
232.03679	0.2
239.03416	0.5
245.04443	0.3
247.05994	1.5
257.04428	5.8
258.04803	0.4
274.04660	1.5
275.05182	0.4
285.03891	2.9
303.04962	100.0
304.05307	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
65.03943	0.8
67.01859	0.4
67.05502	0.4
68.99795	2.8
69.03410	0.2
69.54800	0.8
71.01344	0.2
79.05479	0.2
81.03411	1.2
85.02908	0.3
86.09689	0.4
91.05480	0.2
93.03420	0.9
95.04972	1.1
98.22654	0.2
103.05434	0.2
105.03350	0.4
105.06995	0.2
107.04947	0.3
109.01239	0.2
109.02885	1.3
111.00809	2.2
111.04422	0.2
115.05463	0.5
117.07001	0.5
119.04890	0.3
121.02861	2.7
123.04427	2.1
127.03916	0.7
127.05379	0.2
128.06219	0.2
129.06984	0.3
131.04927	0.7
133.02863	0.3
135.04413	0.7
135.08066	0.2
135.23793	0.2
137.02342	8.3
137.03375	0.5
137.05957	0.7
138.02705	0.2
139.03911	0.6
139.05357	0.1
143.04921	0.3
145.02859	0.3
145.06467	1.1
147.04417	0.9
149.02350	1.0
149.05919	0.4
151.03894	2.3
153.01814	11.6
155.04938	1.2
155.06050	0.2
157.06538	0.4
159.04395	0.5
161.06003	0.9
161.56758	0.2
163.03914	1.7
165.01831	4.0
165.05548	0.3
166.02527	0.6
167.03348	0.2
171.02824	0.3
172.07953	0.2
173.02415	0.3
173.05989	1.8
176.04698	0.2
177.01756	0.2
177.05458	0.3
179.03374	0.7
181.04930	0.3
183.02873	1.8
183.04434	1.3
185.06068	0.2
187.03883	1.0
187.07465	0.2
189.05496	0.2
191.03438	0.5
191.07094	0.2
193.05161	0.2
195.02924	1.4
201.05461	5.3
205.04918	0.5
211.03870	0.4
213.05443	0.4
215.03360	0.4
217.08643	0.3
219.02914	0.4
219.06548	0.7
228.04227	0.4
229.04945	10.4
230.05270	0.6
231.10164	0.2
232.03740	0.3
239.03413	0.6
241.04840	0.2
245.04454	0.5
245.08104	0.6
246.05408	0.3
247.06007	1.4
248.97678	0.2
257.04440	6.1
258.04999	0.3
271.09695	0.2
274.04688	1.5
275.05466	0.4
285.03952	3.0
285.12234	0.5
303.04971	100.0
304.05310	4.5
304.08795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
60.08710	0.1
65.03936	0.6
67.01868	0.3
67.05501	0.3
68.99787	3.1
69.03407	0.2
70.14754	0.1
70.15078	0.4
71.01340	0.3
80.50123	0.1
80.72955	0.1
81.03430	0.9
93.03406	0.6
95.04968	1.0
98.23255	0.2
103.05463	0.2
105.03374	0.2
107.04979	0.3
109.02866	1.3
111.00807	2.2
115.05455	0.2
117.07000	0.3
121.02871	2.1
123.04433	0.6
127.03922	0.4
131.04935	0.5
133.02907	0.2
133.06483	0.2
135.04410	0.5
136.10101	0.2
137.02341	8.7
137.03355	0.5
138.02644	0.3
145.02791	0.3
145.06458	0.7
149.02342	1.0
153.01819	11.9
154.02165	0.2
155.04881	1.0
155.06027	0.2
157.11102	0.2
159.04430	0.3
161.05997	0.6
163.03900	1.5
165.01833	4.3
166.02594	0.7
173.02298	0.2
173.05988	1.6
177.01801	0.3
177.05505	0.3
179.03435	0.6
183.02876	1.4
183.04433	1.2
185.06026	0.2
187.03949	0.7
191.03369	0.4
191.07024	0.1
201.05457	4.5
202.05939	0.2
205.04941	0.6
207.02898	0.3
211.03868	0.4
213.05383	0.2
215.03311	0.3
219.02965	0.3
219.06557	0.6
228.04204	0.7
229.04962	10.4
230.05373	0.5
235.18605	0.2
239.03441	0.5
245.04549	0.2
246.05240	0.2
247.06018	1.1
257.04453	5.5
258.04950	0.3
274.04703	1.4
275.05481	0.5
280.55600	0.2
285.03925	2.5
303.04974	100.0
304.05304	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01860	0.4
60.44165	0.1
65.03939	0.7
67.01851	0.4
67.05502	0.2
68.99435	0.2
68.99789	2.5
69.03423	0.3
71.03455	0.2
81.03416	0.8
91.05484	0.2
93.03419	0.8
95.04975	0.9
103.05460	0.1
105.03374	0.2
107.04901	0.3
109.02878	1.1
111.00808	2.1
115.05470	0.3
117.06978	0.3
121.02863	2.3
123.04436	0.8
127.03904	0.4
128.06181	0.2
131.04913	0.4
133.02806	0.2
135.01819	0.1
135.04407	0.5
137.02345	8.1
137.03397	0.6
138.02657	0.2
139.05316	0.1
145.02827	0.4
145.06439	0.8
149.02336	1.1
153.01828	10.7
154.02170	0.2
155.04901	0.9
155.06000	0.3
159.04413	0.3
161.05980	0.7
163.03925	1.4
165.01840	4.2
166.02673	0.8
173.02385	0.1
173.06007	1.2
177.01863	0.2
177.05499	0.2
179.03442	0.4
183.02887	1.6
183.04434	0.9
184.05162	0.2
187.03873	0.9
191.03546	0.3
195.02856	0.5
200.04744	0.1
201.05460	4.6
202.05814	0.3
205.04926	0.5
211.03865	0.3
213.05501	0.3
215.03416	0.2
217.05074	0.2
219.02940	0.1
219.06505	0.5
228.04179	0.7
229.04956	9.7
230.05275	0.4
233.04388	0.2
239.03310	0.4
245.04535	0.2
247.06010	1.3
248.16389	0.1
257.04449	5.6
258.04852	0.3
274.04688	1.5
275.05460	0.4
277.59622	0.1
285.03949	2.5
286.04453	0.2
303.04971	100.0
304.05313	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73717	0.2
55.01854	0.4
65.03930	0.7
67.01870	0.4
68.99786	2.6
69.69329	1.2
81.03394	0.7
85.72565	0.2
93.03398	0.7
95.04951	0.9
105.03381	0.3
109.02872	0.9
110.03657	0.3
111.00790	2.1
117.06983	0.4
119.04933	0.3
121.02862	2.1
123.04401	0.7
127.03896	0.3
131.04926	0.6
135.04408	0.6
137.01314	0.5
137.02347	7.7
137.03415	0.7
137.05911	0.3
138.02776	0.3
145.06458	0.4
149.02319	0.8
153.01828	10.0
155.04919	1.1
159.04504	0.2
161.05933	0.8
163.03928	1.2
165.01833	4.3
166.02498	0.3
173.02289	0.3
173.05994	1.7
177.05479	0.4
179.03374	0.6
183.02881	1.0
183.04144	1.1
187.03900	1.2
191.03421	0.4
195.02866	0.4
200.04739	0.3
201.05453	4.3
205.04958	0.4
211.03897	0.4
215.03386	0.3
219.06682	0.4
228.04230	0.5
229.04971	9.4
230.05275	0.7
232.03708	0.3
239.03455	0.5
246.05527	0.2
247.05971	1.0
257.04456	5.3
258.05182	0.3
274.04758	1.6
275.05356	0.4
285.03931	2.1
286.04761	0.2
303.04977	100.0
304.05319	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.2
59.74546	0.2
65.03936	0.7
67.01866	0.4
67.05499	0.2
68.99786	2.6
69.02475	2.1
69.03423	0.3
78.00090	0.2
79.50455	0.2
81.03415	0.9
85.02907	0.9
86.03219	0.2
89.47423	0.2
93.03391	0.7
95.04965	0.8
97.02907	0.3
101.68273	0.2
107.04908	0.2
109.02885	1.1
110.03654	0.2
111.00797	2.1
117.07021	0.6
121.02859	2.1
123.04427	0.5
123.07422	0.2
127.03919	0.6
131.04922	0.4
132.62102	0.2
133.06496	0.4
135.04410	0.5
137.02338	7.0
137.03368	0.5
139.04013	0.2
145.02858	0.3
145.04973	0.3
145.06516	0.6
149.02351	0.5
153.01822	9.2
154.02135	0.3
155.04948	1.1
155.06017	0.3
159.04480	0.2
161.06000	0.7
163.03935	1.5
165.01828	4.0
166.02563	0.5
173.02374	0.2
173.05998	1.7
177.01826	0.3
177.05515	0.4
179.03404	0.3
183.02892	1.4
183.04443	0.9
187.03894	0.6
191.03424	0.3
191.07106	0.2
195.02849	0.5
201.05469	4.0
205.04904	0.3
207.02844	0.3
211.03813	0.4
219.02890	0.2
219.06508	0.6
228.04221	0.8
229.04948	8.5
230.05345	0.6
239.03548	0.4
247.03717	0.2
247.05954	1.3
257.04459	4.7
258.04953	0.2
262.56235	0.2
274.04709	1.4
275.05353	0.7
285.03958	2.7
286.04416	0.3
303.04974	100.0
304.05310	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03949	0.2
55.01862	0.4
65.03938	0.6
67.01860	0.4
67.05505	0.2
68.99435	0.2
68.99789	2.5
69.03433	0.2
69.54754	0.2
69.55167	0.4
71.01342	0.2
81.03415	0.7
91.05462	0.2
91.87170	0.1
93.03400	0.8
95.04971	0.9
98.22624	0.2
103.05468	0.3
105.03405	0.3
105.07021	0.2
105.33347	0.1
107.01311	0.1
107.04948	0.2
109.02876	1.5
110.03664	0.2
111.00803	2.0
111.04416	0.2
115.05447	0.3
117.07020	0.3
119.04906	0.1
121.02876	2.3
121.06470	0.1
123.04446	0.9
127.03901	0.6
131.04924	0.6
133.02885	0.2
133.06519	0.2
133.10161	0.1
135.04411	0.6
137.02345	8.8
137.03442	0.6
138.02655	0.1
139.05519	0.1
143.04930	0.2
143.37289	0.1
145.02820	0.2
145.06506	0.8
147.04393	0.1
149.02344	0.9
149.05951	0.2
151.03900	0.4
153.01825	12.1
154.02139	0.3
155.01663	0.1
155.04919	1.2
155.06047	0.2
157.06468	0.2
159.04379	0.3
161.06000	0.9
163.03915	1.5
165.01831	4.6
165.07021	0.2
166.02620	0.7
167.03349	0.1
173.05988	2.1
177.01799	0.2
177.05453	0.2
179.03423	0.4
183.02879	1.7
183.04425	1.2
183.08025	0.1
185.06013	0.1
187.03908	1.1
189.05489	0.1
191.03426	0.3
191.07062	0.1
195.02919	0.5
200.04684	0.1
201.05470	5.0
202.05927	0.2
203.03360	0.2
205.04988	0.5
207.02896	0.2
211.03952	0.5
213.05478	0.3
215.03337	0.3
219.03014	0.3
219.06563	0.7
220.68880	0.1
220.93594	0.1
228.04205	0.7
229.04955	9.8
230.05316	0.5
232.03755	0.2
239.03349	0.4
245.04510	0.3
247.06012	1.5
257.04443	5.9
257.66043	0.1
258.04855	0.4
271.09583	0.1
274.04742	1.5
275.05402	0.4
285.03918	2.5
286.04593	0.2
302.04459	0.1
303.04977	100.0
304.05319	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58686	4.4
50.88549	4.6
52.25531	4.5
66.35216	4.4
70.73808	10.1
70.74134	4.0
97.35148	4.5
105.07004	4.7
106.04254	4.3
107.04955	6.0
119.01960	5.7
119.04952	4.5
121.02917	7.7
131.04971	8.7
133.06500	16.1
141.05222	100.0
145.06493	5.1
159.04401	17.3
161.21065	5.0
165.07028	5.3
169.88368	5.0
177.05577	5.4
185.04166	33.4
193.79695	4.7
201.05556	7.3
239.07115	5.5
256.97644	11.3
261.03033	11.2
262.03128	8.9
263.02887	5.9
303.10712	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42568	96.9
71.05013	24.9
85.02937	18.6
98.06087	32.9
99.04483	16.7
101.00904	17.1
103.34674	18.0
119.01945	18.7
141.05238	33.8
141.06499	19.6
173.37613	15.9
196.59648	16.7
226.12639	17.1
241.20641	16.5
296.52689	18.3
303.08078	100.0
303.15494	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79670	6.1
101.00889	1.6
107.05004	2.5
119.01949	3.8
124.07590	2.9
124.49768	1.1
131.01903	2.2
133.06525	2.0
141.05219	100.0
143.01924	1.5
155.01920	1.9
159.04420	2.8
161.02927	2.1
173.03047	1.2
175.04599	1.2
185.02693	2.6
185.04224	30.8
187.04509	1.9
196.31282	1.2
199.04413	1.6
201.05992	1.2
203.03806	1.3
245.05087	2.7
256.97757	1.4
259.06689	4.6
261.03171	2.2
277.07779	1.9
298.98450	1.4
303.05246	2.2
303.10559	65.5
304.10849	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39351	1.5
57.69051	1.4
60.18495	1.3
62.80464	1.5
69.51212	7.5
81.03447	1.2
82.36508	1.2
93.21366	1.2
98.97609	1.9
101.00876	1.9
107.04965	1.4
119.01884	2.8
124.07564	1.8
131.01909	3.1
133.06538	1.8
141.05217	100.0
141.49942	1.5
142.05630	2.0
155.02013	1.7
159.04422	1.7
161.02914	1.8
173.03044	2.2
177.05750	1.4
185.04219	32.5
203.03906	2.1
220.33041	1.3
221.05060	2.0
259.06766	5.8
303.10590	70.6
304.10947	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.7
59.52793	2.0
67.05495	3.5
69.03440	2.4
71.30816	3.0
76.04826	2.0
79.05501	4.5
81.07082	4.8
91.05481	8.2
93.07064	4.2
95.04965	4.3
95.08614	2.6
103.05467	3.2
103.42169	2.0
105.07038	4.6
105.56406	2.2
107.04983	2.8
107.08596	6.7
109.10192	2.5
111.00797	2.9
113.37758	2.5
119.04934	3.4
119.08569	4.6
121.06489	4.9
121.10150	2.6
122.03639	4.2
123.04413	12.0
127.03928	5.0
131.04916	5.0
133.10135	2.8
135.11731	2.5
137.02362	7.2
137.05989	55.3
139.03883	3.9
147.04443	8.1
149.05997	4.5
151.03886	18.5
151.07561	6.7
152.06290	2.5
153.01880	9.8
153.05469	4.3
153.07011	7.3
155.08533	5.4
159.11743	2.3
163.07550	2.3
165.01855	3.3
165.05623	2.4
165.07022	8.9
168.05750	5.4
173.06111	3.2
181.06526	4.1
182.07356	2.8
183.02769	2.2
183.08093	15.0
193.06490	2.3
196.05267	3.7
197.06006	3.8
200.80974	1.9
201.05492	3.8
207.04485	2.8
211.07544	16.0
213.05655	2.8
225.09032	3.5
228.07782	2.7
229.04900	12.3
230.05418	2.4
239.06978	3.2
243.10205	11.7
253.31200	2.0
257.04446	5.1
271.09567	13.6
288.09909	2.9
295.12125	2.1
303.05026	100.0
303.08636	8.1
303.12234	10.2
303.23193	8.9
304.05377	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2317
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
53.03938	6.2
55.01859	4.4
55.05510	17.4
67.05505	38.6
67.19510	2.3
69.03429	36.9
69.06731	2.6
69.07061	18.5
69.13032	2.4
71.04995	18.7
71.30217	5.1
72.10933	2.3
79.05489	33.8
81.07060	100.0
83.04973	7.2
83.08629	7.9
85.06544	5.7
89.85836	2.7
91.05476	26.9
93.07041	67.3
95.04980	13.2
95.08608	76.5
97.06534	46.1
97.10167	6.4
105.06365	5.3
105.07029	60.3
107.08595	81.4
108.08909	4.2
109.06514	23.3
109.10147	35.6
110.05038	2.7
111.08100	7.0
117.07001	7.2
117.34985	3.2
119.08576	52.6
121.06453	5.1
121.10154	39.7
123.08066	17.8
123.11722	19.5
125.09622	14.7
129.06961	3.6
131.08583	19.1
133.10146	39.1
135.08040	5.4
135.11699	37.9
137.09607	29.1
139.11206	4.3
143.08557	6.3
145.10141	34.5
147.11684	31.0
149.09592	4.7
149.13249	8.4
151.11189	29.0
157.10158	4.1
159.11714	27.3
161.13281	10.6
163.11198	8.0
165.12814	3.5
169.10216	4.3
171.11684	4.8
173.13275	13.6
175.14774	15.6
177.12773	4.1
177.16510	3.7
185.13300	6.5
186.03386	3.2
187.14900	4.3
189.16403	5.1
191.14285	6.7
193.15884	6.8
199.14804	11.9
201.16405	25.2
209.15364	3.1
215.18037	4.8
219.17375	7.9
241.17723	3.3
267.21085	3.9
285.22095	7.7
303.05017	11.5
303.23245	28.0
304.29791	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.9821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29235	0.1
67.38924	0.1
69.57005	0.1
71.27854	0.2
72.77648	0.1
82.99866	0.2
101.00871	1.2
102.00937	0.2
108.37635	0.1
119.01920	3.2
120.02032	0.3
121.01636	0.3
122.97791	0.3
123.98601	0.1
134.99876	0.3
136.68044	0.1
137.02954	0.6
139.57111	0.1
140.98795	0.8
142.03508	0.6
144.03174	0.1
158.99881	2.8
159.99986	0.4
160.04544	0.3
173.17920	0.1
177.00949	18.2
178.01060	2.0
179.00804	0.4
182.99846	1.8
183.99907	0.2
195.01959	0.2
200.02577	0.1
201.00925	7.2
202.01024	0.7
214.95921	0.1
218.03647	0.2
219.01997	100.0
220.02109	9.9
220.94562	0.3
221.02080	1.0
224.02625	0.1
237.00061	0.1
237.03036	0.4
238.95526	2.1
239.95680	0.5
240.95454	0.1
242.03596	2.4
243.03799	0.2
245.01840	0.3
256.96603	7.9
257.96707	1.9
258.96442	0.6
259.00027	0.1
260.00113	0.3
261.03107	0.4
262.03156	1.6
263.02850	3.2
264.03168	0.1
272.94388	0.2
274.97672	2.0
275.97754	0.3
276.97482	0.3
278.01016	0.3
279.00891	0.2
279.98242	1.0
280.96411	0.4
280.98438	0.4
282.99771	0.1
286.60382	0.1
289.45645	0.4
289.95480	0.4
290.45633	0.2
290.95435	0.2
292.61169	0.1
292.94836	0.1
293.27646	0.3
297.99207	0.3
298.46179	0.2
298.97659	15.1
299.28186	0.2
299.61337	0.2
299.94562	0.2
299.97699	1.6
300.95377	0.2
301.01093	0.2
301.46210	0.2
304.05508	0.4
309.96155	0.5
310.46240	0.5
310.96075	0.3
319.46606	0.2
319.96741	0.1
321.99289	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48417	11.4
58.49224	10.6
65.03921	10.2
69.03428	17.9
70.36458	31.8
72.08155	48.9
79.05526	11.8
81.03410	11.8
85.02917	71.2
89.58621	9.6
91.05505	10.2
97.02890	27.4
109.02853	10.5
111.04409	13.2
114.05498	13.9
121.02863	12.3
122.06055	12.6
123.04425	43.7
125.06001	56.4
127.03873	45.6
139.03839	10.4
145.04951	41.2
145.13905	11.0
149.02370	21.8
151.03896	21.9
153.01866	49.3
188.07045	33.8
195.03000	11.8
202.05878	8.9
205.09679	20.7
231.06529	25.9
258.05054	11.0
259.06076	20.4
286.60272	11.1
287.05289	15.5
287.13931	17.0
304.05280	100.0
304.08496	14.9
304.12582	12.0
305.14838	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.05507	2.3
57.03428	3.4
58.06577	3.0
60.04522	2.9
61.02918	3.0
63.76125	2.1
69.03421	12.2
69.07072	18.9
71.08633	11.9
71.29962	2.8
79.05475	5.7
81.03413	5.6
81.07045	2.2
84.04530	2.1
85.02905	40.5
86.02417	3.4
86.06063	2.6
93.38892	1.9
94.58987	2.1
95.04940	3.0
97.02899	23.1
97.06528	4.6
107.04955	100.0
109.02885	7.7
114.09155	7.1
123.04375	3.8
124.07590	1.9
125.09660	3.8
127.03919	11.8
130.06531	3.6
137.02347	2.4
138.02666	2.0
138.09167	3.7
139.03891	2.2
142.08647	54.1
145.04971	5.0
149.02338	3.0
151.03870	2.9
153.01826	3.8
154.02228	3.6
160.07428	2.1
168.36324	1.7
174.78871	2.1
184.09700	37.8
185.09210	3.8
207.21460	2.4
208.09669	6.8
231.06636	2.4
247.10640	1.8
250.10727	4.8
258.05063	2.8
259.05826	2.7
285.92566	2.5
286.12363	3.0
287.05664	2.8
287.10184	2.6
304.05310	32.6
304.08447	3.9
304.14026	2.9
305.05670	3.8
305.11157	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69882	1.8
57.03421	3.4
58.06600	2.3
60.04530	8.8
61.02930	4.2
64.07706	2.0
66.92794	1.6
67.05491	2.6
69.03433	17.1
69.07073	43.1
69.47341	5.1
69.47734	3.7
71.06931	1.9
71.08640	22.2
79.96529	1.8
81.03429	9.9
84.04527	2.8
85.02906	78.5
86.02442	7.0
96.08122	2.6
97.02895	49.5
97.06541	9.0
99.04469	4.5
103.03949	8.0
105.07003	1.8
107.08604	2.2
107.39217	1.8
109.02894	14.9
114.09165	16.1
114.22624	2.2
123.04423	3.8
124.07582	2.9
126.75391	1.9
127.03925	18.5
128.60625	1.8
137.05981	2.6
138.09171	4.6
142.08635	100.0
143.08961	3.6
145.04979	7.5
147.04381	2.4
149.02380	6.2
151.03885	2.5
151.36723	1.8
153.01831	3.4
156.10162	3.2
184.09705	92.0
185.10002	2.2
199.56046	1.9
208.09694	17.3
212.09512	1.8
220.09784	2.3
220.25827	1.8
231.06577	3.8
238.10802	3.5
250.10764	11.4
259.06012	5.2
283.40472	2.1
286.12714	3.5
287.05426	2.6
287.10135	2.3
287.13293	1.9
287.49307	2.0
304.05325	5.9
304.14139	4.8
305.15555	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.05521	0.5
56.05035	0.7
56.96554	0.4
57.03439	0.6
61.02906	0.9
68.05045	0.4
69.01495	2.9
69.03437	2.2
69.07074	0.5
70.06590	0.7
73.02896	0.4
74.20588	0.3
78.64359	0.3
79.05492	5.3
80.05013	1.3
81.03407	0.9
81.05803	3.4
81.07061	4.5
82.02964	0.4
82.06589	0.3
83.03735	0.3
84.08125	0.4
85.02910	4.3
85.07684	0.4
86.06057	1.4
86.09682	0.6
86.82751	0.4
87.04433	0.3
94.06566	1.2
96.04488	1.7
96.08132	9.1
97.02879	1.0
97.06540	0.6
98.97593	0.5
99.04450	0.4
101.00919	0.5
106.06561	1.1
109.02901	0.8
109.05264	0.8
112.07610	1.1
114.05522	1.0
119.01927	1.0
124.07595	100.0
125.02287	0.5
125.06052	0.3
125.07870	1.8
127.03918	1.5
131.01884	0.5
136.07516	0.3
137.02380	0.3
141.05232	1.9
142.05566	1.4
142.08644	15.1
143.01915	0.8
145.05008	0.4
160.07631	1.1
161.02946	1.6
173.02982	0.7
185.04369	0.3
185.09218	3.3
186.04456	0.4
187.08658	1.0
197.03023	0.4
202.06221	0.3
203.04129	0.4
215.08177	3.1
219.01711	0.4
245.09204	0.6
251.06195	0.4
259.06207	0.5
263.02701	0.4
268.11896	0.4
286.13885	1.1
287.10208	2.3
304.05450	0.4
304.11050	2.3
304.13943	0.5
305.11929	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97187	4.3
54.42550	4.2
55.05514	16.7
59.05001	100.0
67.05511	13.0
69.01213	22.2
69.01636	23.6
69.03444	4.4
69.07073	9.7
70.06594	5.5
71.04992	20.0
75.04483	36.1
78.11377	4.3
79.05502	20.5
81.07072	36.0
83.04980	18.2
85.06512	6.8
91.05489	20.9
93.07057	20.5
95.04958	11.7
95.08621	20.2
97.06544	7.7
97.15165	4.8
99.08100	5.6
101.06033	5.5
105.07046	17.2
107.08605	25.7
109.10197	9.8
117.07065	7.1
119.08591	12.6
120.08949	5.8
121.10110	10.2
123.08129	7.7
125.09618	11.7
142.09952	5.5
149.13266	6.0
162.07124	4.9
171.47595	4.4
195.76593	4.5
224.87433	5.1
240.30179	4.6
263.10345	5.3
304.05414	51.9
304.23648	8.5
304.28461	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0656
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
51.62140	0.4
51.72253	0.4
52.68742	0.5
53.03941	0.6
55.01871	0.9
64.83256	0.4
65.03938	2.9
66.86675	0.4
67.01853	1.7
67.05495	1.6
68.99775	4.8
69.03428	1.5
69.08128	4.1
69.08511	1.1
69.73698	0.4
77.03935	0.8
80.31232	0.4
89.03944	0.5
93.03411	1.3
95.04968	4.3
97.02871	0.6
105.03391	1.6
107.04955	1.1
109.02913	0.6
110.17319	0.4
111.00789	0.4
111.04443	5.0
115.05458	0.5
121.02874	11.4
123.04431	60.7
124.04768	1.7
127.03888	2.1
129.07004	2.0
133.02841	3.4
133.06450	0.7
135.04419	2.9
137.02338	2.1
139.03906	5.4
139.05447	1.2
145.06490	0.9
147.04350	1.1
147.08018	0.8
149.02341	68.3
150.02969	2.5
151.03883	3.7
153.01825	100.0
154.02190	3.4
155.03377	0.5
157.06496	4.1
161.02319	6.6
165.01785	0.5
167.03397	10.3
167.04849	0.8
171.02927	0.8
171.04312	0.7
175.03928	0.9
175.07497	1.0
179.03387	3.2
185.05960	8.9
195.02892	17.6
196.03203	0.9
197.06039	1.0
203.03404	2.5
203.07010	0.9
213.05470	13.4
214.05724	0.5
231.06529	49.6
232.06973	2.3
241.04941	5.6
242.05728	0.5
245.04466	0.5
258.05362	2.1
259.06024	59.0
260.06427	2.8
260.17108	0.5
269.04440	0.8
287.05481	17.0
288.05765	0.6
294.75351	0.5
305.06357	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0655
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
55.01870	1.2
62.73784	0.5
65.03933	3.9
67.01867	2.0
67.05494	2.1
68.99790	4.0
69.01319	5.6
69.01657	1.2
69.03433	1.6
77.03937	0.8
93.03391	1.0
95.04969	4.1
97.02912	0.7
98.23358	1.0
98.36317	0.6
105.03394	1.7
107.05005	0.9
111.00870	0.7
111.04454	5.6
112.04783	0.5
116.45528	0.5
121.02867	11.9
121.03820	0.7
123.04432	68.3
124.04765	1.7
127.03944	2.5
129.06984	1.4
133.02858	3.5
135.04427	3.0
137.02373	1.4
139.03920	5.5
139.05408	1.2
141.06943	0.7
143.04944	0.6
147.04407	1.3
149.02345	69.5
150.02863	3.2
151.03926	3.2
153.01830	100.0
154.02237	2.4
157.06462	5.0
161.02345	6.8
161.05977	0.7
167.03412	11.1
167.04750	0.4
171.02951	0.9
171.04405	0.8
175.07504	1.5
179.03403	3.6
185.05969	9.2
189.05370	0.8
195.02907	19.2
196.03085	0.6
197.05911	0.6
201.14502	0.7
203.03391	2.0
203.06990	1.2
213.05479	13.6
217.04909	1.1
217.41551	0.5
231.06529	51.6
232.06879	2.1
241.04930	6.8
245.04538	0.7
258.05338	2.6
259.06030	59.2
260.06348	3.1
263.11295	0.7
287.05496	16.7
288.05701	0.8
305.06564	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0655
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
55.01857	1.1
65.03939	2.2
67.01863	2.4
67.05494	1.3
68.99792	2.7
69.03429	1.7
77.03911	0.7
81.03432	0.7
83.01337	0.5
93.03423	0.8
95.04973	3.0
97.02909	1.1
98.22640	0.9
105.03410	1.0
107.04933	0.8
109.02908	0.6
111.00794	0.6
111.04445	3.9
117.03345	0.5
121.02868	8.6
123.04433	35.0
123.91494	0.5
124.04765	0.9
127.03930	1.9
129.06989	1.0
133.02881	2.6
135.04422	2.8
137.02347	1.0
137.05876	0.6
139.03896	5.1
145.06438	0.5
147.04414	0.9
149.02344	40.7
150.02956	1.6
151.03879	2.2
153.01826	100.0
154.02144	2.3
157.06496	3.2
158.05943	0.5
160.63136	0.4
161.02357	3.0
161.06003	0.5
163.03915	0.8
163.94037	0.4
167.03424	9.7
167.04836	0.9
168.05789	0.5
171.02934	1.0
175.03949	0.8
175.07497	0.9
178.56381	0.4
179.03381	1.8
179.71877	0.4
181.68526	0.4
185.05971	4.8
189.05602	0.5
195.02881	12.0
196.03270	0.7
203.03401	1.2
203.07057	0.5
213.05481	8.3
214.05847	0.5
220.77928	0.4
231.06543	28.6
232.06897	1.4
241.04868	4.4
242.98151	0.4
258.05243	1.5
259.06018	28.5
260.06381	1.8
287.05499	9.4
288.05853	0.7
305.06229	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0654
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
50.43147	0.4
51.02381	0.5
55.01871	0.7
58.74149	0.4
60.54102	0.4
65.03934	3.6
67.01857	1.9
67.05495	2.7
68.99786	4.7
69.01007	4.2
69.03419	1.1
77.03909	0.5
79.01865	0.5
81.03397	0.8
89.03917	0.6
91.05479	0.5
93.03396	0.6
95.04961	4.3
95.08614	0.5
97.02864	1.2
98.23400	0.6
100.22529	0.5
103.05393	0.6
105.03387	2.2
105.07033	0.8
107.04984	0.7
109.02917	0.7
111.00816	0.6
111.04450	5.2
115.05486	0.5
117.03352	0.5
117.06965	0.7
121.01981	0.6
121.02859	12.6
123.04424	69.7
124.04769	1.5
127.03889	2.2
128.06223	0.8
129.06979	1.5
131.04916	0.6
133.02838	3.7
135.04419	2.7
135.63176	0.4
137.02319	1.5
139.03879	5.1
139.05429	1.1
143.04861	0.6
145.06470	1.1
147.04378	1.6
147.08009	0.6
149.02333	67.0
150.03040	2.6
151.03859	3.1
152.30344	0.4
153.01819	100.0
154.02173	3.1
157.06490	4.4
160.05263	0.6
161.02330	6.4
161.05943	0.8
163.03955	0.9
167.03389	11.7
167.04839	0.7
171.02884	1.0
171.04381	0.6
175.03860	0.9
175.07542	1.5
179.03374	3.8
185.05971	8.6
186.06325	0.5
186.54507	0.5
189.05457	1.3
195.02875	18.0
196.03226	1.1
203.03386	2.0
203.06906	0.6
213.05466	12.8
214.05997	0.4
217.04887	0.8
231.06514	49.4
232.06807	1.8
241.04918	6.0
245.04349	0.7
258.05194	2.5
259.06006	56.7
260.06329	2.7
287.02411	0.8
287.05484	14.9
288.05762	0.8
305.06235	9.3
305.20935	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0655
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
55.01857	1.9
55.05479	0.7
55.47108	0.6
57.03436	0.7
58.06605	0.8
65.03931	2.1
67.01859	2.4
67.04238	0.6
67.05503	3.1
68.99785	4.8
69.03409	1.5
69.07054	0.9
70.85419	0.6
79.05479	1.4
81.03399	1.6
81.07037	1.3
83.05014	0.8
85.02888	0.8
89.03891	0.6
91.05475	0.7
93.07053	1.4
94.06509	0.6
95.04967	4.4
97.02875	1.0
104.12756	0.7
105.03380	2.3
105.07022	1.4
107.04960	1.0
107.08592	1.1
109.02879	1.5
111.00806	1.5
111.04446	5.4
115.05444	1.0
117.07002	0.7
119.05002	0.9
119.08586	1.0
121.02862	12.2
123.04432	64.0
124.04755	1.8
124.07616	0.8
126.09191	0.7
127.03913	4.2
128.06248	0.7
129.06992	1.9
131.08580	0.8
133.02837	3.7
133.06488	1.1
135.04391	2.9
135.07979	0.7
136.07510	0.8
137.02350	2.0
137.05942	1.4
138.09201	0.8
139.03908	8.5
139.04929	0.9
139.05411	0.6
140.06998	1.2
141.06960	1.0
143.04988	0.6
145.06525	1.0
146.08189	1.5
147.04417	2.4
149.02341	71.9
150.02921	2.4
151.03918	4.4
153.01825	100.0
154.02258	2.3
157.06453	5.2
161.02345	6.6
161.06042	0.9
163.03867	1.2
166.08632	1.4
167.02087	1.1
167.03421	11.8
167.04855	1.2
171.02892	2.6
171.04326	0.9
175.03954	1.3
175.07516	2.0
179.03415	3.8
185.05954	7.6
189.05408	0.9
191.14307	0.9
195.02904	16.7
201.09114	1.5
203.03339	2.4
213.05469	14.5
213.10268	0.7
228.36050	0.7
231.06522	45.6
232.06850	2.3
241.04962	5.9
245.12852	0.8
258.05307	2.1
259.06012	59.6
260.06403	3.3
260.13025	0.8
273.12222	0.8
287.05524	15.4
287.13937	0.8
288.12387	1.2
305.06509	8.3
305.10052	0.7
305.11252	0.7
305.14481	1.4
305.17569	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0656
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
51.02406	0.8
53.03960	0.9
55.01890	1.5
60.28232	0.6
63.32228	0.5
65.03667	0.6
65.03940	3.1
67.01849	3.1
67.05520	1.4
68.99788	5.1
69.03437	1.5
71.30541	0.7
77.03943	1.0
81.03450	1.1
84.39411	0.6
91.05504	0.8
93.03388	0.9
95.04974	4.7
97.02930	1.4
105.03387	1.7
107.04959	1.1
109.02915	0.9
111.00810	1.1
111.04433	5.8
115.05475	1.0
117.03406	0.8
117.06995	0.6
121.02869	14.7
123.04433	67.6
124.04772	1.7
124.07549	0.7
127.03937	4.0
129.07022	2.1
133.02855	4.1
133.06532	0.8
135.04404	3.3
137.02367	1.8
137.05910	0.6
139.03905	6.3
139.04959	0.6
139.05435	1.0
141.07024	0.7
142.63257	0.5
145.06534	0.8
147.04424	2.5
147.08063	0.9
149.02344	75.0
150.02826	2.7
151.03915	7.1
152.04445	0.6
153.01826	100.0
154.02194	2.8
157.06491	5.6
157.37683	0.5
158.05957	0.6
161.02347	6.5
161.05997	0.9
163.03886	1.3
167.03416	11.2
167.04829	1.0
171.02870	1.3
173.05873	0.8
175.07510	1.9
179.03455	3.7
181.04971	1.1
184.05132	0.5
185.05989	9.3
189.05457	1.0
195.02905	16.3
197.05978	0.7
203.03377	1.9
203.07066	1.2
213.05455	13.4
217.04967	1.0
231.06526	47.3
232.06834	2.8
241.02802	0.8
241.04979	6.9
258.05234	2.5
259.06021	55.2
260.06250	2.4
269.04254	0.7
287.05499	15.1
287.13754	1.6
288.05853	0.5
305.06485	8.8
305.14032	0.8
317.98544	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.0
55.01852	1.2
55.53060	0.8
56.96568	1.5
57.03448	1.9
61.02919	3.6
69.03430	5.5
70.31268	1.9
70.31602	1.2
70.98137	1.1
71.01360	1.4
71.04977	1.2
80.98820	0.9
81.03419	2.0
82.99858	0.9
84.70442	0.9
85.02908	15.0
85.03397	0.7
87.04474	1.0
97.02891	35.5
98.03262	1.2
98.97591	2.5
99.04462	1.3
101.00885	5.3
109.02925	1.4
119.01922	7.7
120.04472	1.1
125.02353	100.0
126.02709	2.0
127.03905	3.1
131.01880	4.2
131.05580	1.1
133.03502	1.8
143.02046	2.7
143.03392	73.3
144.03709	1.4
145.03470	2.0
145.05014	2.8
155.01898	5.0
161.02913	4.5
161.06654	3.0
162.05516	0.9
164.51534	0.8
173.02995	6.0
174.03905	1.4
178.01268	0.8
179.00687	2.1
181.00543	1.2
185.02972	1.9
185.06528	1.1
197.02902	1.1
197.06616	0.9
203.04019	3.9
203.07712	2.4
215.07729	2.1
215.96562	1.8
220.02148	1.1
221.01790	2.8
221.05081	1.9
223.01457	1.1
223.06638	1.1
245.05096	3.1
256.97839	1.3
257.97647	4.2
258.97391	2.5
263.02896	8.2
263.05670	1.1
264.02972	3.1
281.01758	1.6
299.98792	4.9
300.98294	2.4
305.06235	1.8
305.12003	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05843	0.5
61.82619	0.9
63.00967	0.6
69.03439	1.0
70.06608	0.8
70.65022	1.6
79.05499	0.7
81.03419	0.9
81.07056	0.6
82.99831	3.1
85.02911	1.7
86.99353	0.8
87.45370	0.7
97.02889	4.6
97.08462	0.8
98.70348	0.5
101.00880	29.5
102.00951	1.4
105.00358	0.8
105.36111	0.7
109.02872	1.1
113.00868	8.1
113.31458	0.6
119.01924	43.8
120.02074	1.2
123.04459	1.0
124.07603	8.0
125.07936	7.7
127.02425	0.9
127.03897	2.1
131.01909	23.1
132.01970	1.2
137.02939	5.0
142.08667	0.8
143.01901	35.8
143.09012	1.4
144.02032	1.8
145.03471	3.5
149.02953	1.5
151.03854	1.0
153.01804	1.9
155.01888	9.8
157.03514	4.1
158.06027	1.0
159.01326	0.8
160.07562	1.1
161.02965	100.0
162.03128	4.9
163.04564	0.9
167.01878	2.6
167.03209	0.8
169.03429	0.8
173.02959	23.4
173.06653	1.2
174.03120	1.0
175.04504	1.3
175.27679	0.6
178.76965	0.6
179.01883	1.0
179.04016	2.8
184.04588	1.3
184.07588	0.9
185.01479	1.0
185.02979	10.8
185.06396	1.0
186.03076	0.7
187.04552	2.8
191.03993	9.9
192.04160	0.8
197.03004	8.8
203.04019	23.7
203.05898	1.6
203.07629	1.2
204.04137	1.2
215.03979	6.4
215.07692	6.6
220.27307	0.7
221.05109	3.1
227.03958	2.0
230.08066	0.8
233.05110	1.2
233.08716	6.4
242.00964	0.6
245.05104	9.0
245.08904	1.0
252.13513	0.6
263.06067	2.7
276.08554	1.6
283.02548	0.7
287.10233	1.7
305.10818	53.4
306.10974	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.2
55.05526	9.8
57.03432	10.9
61.02937	8.5
67.05504	13.7
69.03434	23.5
69.07074	30.1
70.52428	13.1
71.04992	42.5
78.30746	7.2
79.05511	12.6
81.03430	16.5
81.07062	15.6
83.04988	10.3
85.02909	49.3
85.06566	21.7
91.05492	11.2
95.04977	79.9
97.02914	9.4
97.06541	12.3
97.10190	14.3
99.04463	8.0
103.03973	11.9
105.07047	8.9
105.70304	7.4
107.08614	56.9
107.26890	6.7
109.10152	7.1
115.07622	10.1
123.04440	25.5
125.06023	13.4
125.09639	100.0
127.03928	41.8
133.02788	6.3
135.48518	6.7
136.07562	36.8
137.09636	19.1
142.08693	8.1
143.07071	11.7
143.10674	79.3
146.11809	8.9
149.02368	17.2
149.09677	8.6
151.03879	17.7
153.01840	19.8
164.07114	10.1
167.10678	68.2
179.03394	14.2
179.10718	10.5
209.11926	10.6
215.08228	22.4
231.06537	9.5
240.83916	7.2
259.06030	14.9
269.12830	10.5
287.05563	12.7
287.10266	20.9
287.13733	16.3
305.11337	15.1
305.14761	20.9
319.08255	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1894
Annotation	Aikupikanyne E
Peak:m/z	Relative Intensity
50.45802	0.2
53.03939	0.5
55.01871	0.8
55.05516	1.9
56.97793	0.2
59.05006	0.3
61.01820	0.2
67.05511	1.9
69.03430	0.6
69.07064	2.5
69.19568	1.7
70.91319	0.2
79.05495	3.7
81.07056	15.6
83.04971	0.9
83.08624	0.6
84.57029	0.2
91.05489	2.2
93.07047	1.4
94.04210	0.2
95.04970	0.3
95.08600	1.7
97.06533	0.2
100.21395	0.2
105.07036	3.2
107.04944	0.4
107.08600	1.3
109.05768	0.4
109.06520	6.8
109.10159	0.4
111.08100	0.2
115.05435	0.5
117.07020	0.8
119.08585	3.3
121.06516	0.6
121.10161	0.2
128.06221	0.9
129.07018	2.1
130.07736	0.3
131.08554	1.1
132.07660	0.3
132.20784	0.2
133.10136	0.8
135.08044	1.1
141.06984	1.5
142.07790	1.3
143.08563	2.8
145.06503	0.3
145.10118	1.4
146.07246	0.2
147.08072	0.7
147.11719	0.4
149.09605	0.9
152.06166	0.3
153.07011	1.2
154.07761	1.0
155.04874	0.2
155.07330	0.4
155.08548	3.3
156.09338	0.9
157.06487	2.5
157.10123	4.0
159.08095	0.7
159.11743	0.6
161.09634	1.3
165.06975	2.1
166.07768	0.9
167.08540	2.4
168.09416	0.4
169.06514	0.3
169.10120	3.2
170.10892	0.2
171.08076	0.5
171.11743	1.5
173.09624	0.5
175.11266	0.6
176.06194	0.3
177.07048	0.3
178.07751	1.6
179.08559	3.9
180.09314	1.6
181.06511	0.8
181.10129	5.0
182.07230	0.3
182.10710	0.5
183.08075	0.9
183.11665	1.3
184.08794	0.4
185.09666	0.6
189.06979	0.4
191.08557	2.6
192.09322	3.1
193.06427	0.5
193.10121	5.4
194.07274	0.7
194.10852	1.3
194.66364	0.2
195.08051	1.8
195.11687	3.5
196.08696	0.3
196.12326	1.5
197.09659	0.8
197.13290	1.2
199.11163	5.2
200.11559	0.3
200.77728	0.2
202.07782	0.9
203.08560	1.5
204.09395	1.2
205.06660	0.2
205.10118	3.8
206.07315	0.7
206.10886	4.4
207.08049	5.5
207.11670	7.5
208.08844	1.6
208.12320	1.2
209.09700	1.2
209.13234	3.9
211.11143	0.3
213.12776	0.8
215.08562	1.5
216.09293	1.1
217.10161	2.9
218.07419	0.4
218.10847	1.4
219.08226	1.6
219.11687	5.5
220.08826	1.3
220.12415	2.4
221.09648	10.7
221.13202	10.4
222.10269	1.3
222.13721	1.2
223.11192	5.0
223.14818	1.1
224.11552	0.3
225.12717	0.8
228.09274	0.2
229.10100	2.6
230.10889	2.2
231.08090	0.4
231.11671	2.7
232.08803	2.1
232.12398	1.7
233.09633	4.3
233.13216	4.9
234.10374	3.0
234.13936	1.8
235.11192	4.4
235.14783	4.3
236.11827	0.7
236.15378	0.4
237.12730	4.7
237.16216	0.3
238.13332	0.2
239.14430	0.2
242.10902	0.3
243.11708	1.1
244.12471	0.9
245.09479	0.3
245.13293	3.5
246.10406	0.5
246.14003	1.2
246.22104	0.5
247.11192	11.9
247.14812	4.9
248.11923	4.1
248.15533	2.4
249.12758	10.8
249.16360	1.8
250.13319	1.7
251.14290	0.7
257.13312	1.2
258.14008	0.4
259.14832	0.8
260.11832	0.6
261.12747	2.6
261.16382	2.3
262.11206	0.1
262.13531	9.6
262.16986	1.3
263.14316	19.8
263.17911	6.6
264.14825	1.9
264.18036	0.4
271.14642	0.2
272.15573	0.9
273.16238	0.3
275.14246	4.0
276.15048	2.0
276.18439	0.6
277.15860	2.8
277.19485	3.0
278.16592	0.3
278.19745	0.3
287.17929	2.8
289.15805	0.4
290.16672	4.7
290.19992	0.6
291.17200	0.5
305.18994	100.0
305.22327	5.5
306.19360	7.9
306.22763	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1902
Annotation	Aikupikanyne E
Peak:m/z	Relative Intensity
53.03935	0.3
55.01876	2.1
55.05515	1.4
55.21880	0.2
57.07077	0.4
59.04997	0.3
63.02395	0.2
67.05509	1.6
67.34583	0.2
69.03416	0.4
69.07069	2.1
71.30644	0.3
77.03944	0.2
79.05486	2.1
81.07052	3.4
83.04976	0.5
83.08601	0.7
85.06513	0.2
91.05479	4.5
93.07037	1.8
95.05003	0.9
95.08605	3.5
97.06528	0.4
103.05471	0.6
105.04529	0.2
105.07028	8.7
106.07325	0.3
107.04958	1.3
107.08614	1.5
108.89167	0.2
109.06517	1.0
109.10139	0.5
115.05463	0.8
116.06248	0.3
117.07043	1.6
119.04933	0.5
119.08583	6.4
121.06499	0.8
121.10111	0.9
123.08063	0.5
125.09637	0.2
128.06210	1.8
129.07007	3.0
130.07788	0.4
131.04922	0.3
131.08551	3.1
133.06487	0.7
133.10126	3.1
135.08052	3.2
136.08368	0.2
141.06984	1.7
142.07773	4.3
143.04901	0.4
143.08565	5.1
145.06516	1.0
145.10120	3.6
146.07301	0.4
146.10503	0.2
147.08044	2.3
147.11656	0.5
148.08397	0.2
149.09633	2.7
152.06178	0.3
153.06953	1.2
154.07732	1.0
155.08560	6.3
156.09326	1.1
157.06525	1.9
157.10123	14.2
158.10516	0.5
159.08089	0.9
159.11703	1.0
160.08867	0.3
161.09612	3.9
163.11145	0.3
165.07007	1.9
166.07727	0.8
167.08554	1.9
168.09357	1.1
169.06439	0.3
169.10129	6.0
170.10698	0.4
171.08032	1.0
171.11693	1.5
173.09607	1.5
175.11171	2.7
178.07744	1.6
179.08542	3.2
180.09317	1.6
181.06474	0.7
181.10109	2.7
182.10852	0.4
183.08046	0.8
183.11684	2.3
184.08771	0.5
185.09602	1.4
185.13232	0.6
187.11179	1.3
189.06984	0.4
189.12680	0.2
190.07695	0.5
191.08546	2.1
192.09329	3.9
192.65083	0.2
193.10130	5.6
194.07355	0.5
194.10852	1.4
195.08083	1.7
195.11674	4.1
196.08604	0.3
196.12485	0.5
197.09608	0.9
197.13263	0.6
199.11160	3.2
199.14978	0.2
202.07784	1.2
203.08481	1.9
204.09344	1.7
205.10141	4.3
206.07384	0.5
206.10899	4.6
207.08096	3.8
207.11671	10.2
208.08830	1.2
208.12315	1.3
209.09628	1.3
209.13228	2.0
211.11163	0.8
211.14897	0.3
213.12744	0.8
215.08569	3.0
216.09329	1.7
217.10129	2.9
218.07330	0.3
218.10828	1.7
219.08168	2.0
219.11665	6.4
220.08910	1.4
220.12392	2.3
221.09657	8.3
221.13202	8.9
222.10336	1.7
222.13774	0.5
223.11192	2.3
223.14716	0.9
225.12703	1.0
228.09319	0.4
229.10085	3.5
230.10884	4.1
231.08081	0.3
231.11658	3.6
232.08832	1.6
232.12448	1.5
233.09622	4.6
233.13211	3.5
234.10400	3.6
234.13936	1.8
235.11177	6.1
235.14763	4.3
236.11789	0.8
236.15205	0.4
237.12730	2.7
237.16420	0.5
242.10915	0.5
243.11687	1.6
244.12447	2.0
245.09535	0.4
245.13249	5.9
246.10416	1.3
246.13937	1.5
247.07428	0.4
247.11186	10.6
247.14806	3.7
248.11926	4.7
248.15575	1.8
249.12733	8.8
249.16353	1.3
250.13380	1.3
250.17010	0.2
251.14230	0.4
257.13239	2.6
258.13922	1.0
259.14786	1.1
260.11893	0.7
261.12750	3.5
261.16357	1.9
262.06262	0.6
262.13531	8.6
262.16965	0.7
263.14301	20.5
263.17880	3.5
264.14688	1.3
271.14731	0.3
272.15591	2.2
273.16138	0.2
273.68195	0.2
274.13425	0.2
275.14304	4.9
275.17374	0.4
276.15045	2.3
277.08527	0.3
277.15848	2.5
277.19489	3.3
287.17917	5.3
288.18304	0.5
289.15863	0.7
290.05685	0.2
290.16632	5.4
290.19907	0.2
291.17242	0.6
301.51697	0.2
305.08118	2.2
305.18982	100.0
306.15826	0.4
306.19342	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1902
Annotation	Aikupikanyne E
Peak:m/z	Relative Intensity
53.03950	0.4
55.01870	0.7
55.05516	1.6
56.05027	0.3
57.07076	0.6
65.03932	0.2
66.68623	0.2
67.05505	1.3
67.05795	0.3
67.26609	0.3
69.03411	0.3
69.07066	2.8
70.07371	0.3
70.18116	0.6
70.18521	0.3
71.04987	0.5
79.05497	2.6
81.07055	4.9
83.04991	0.6
83.08604	0.4
87.17930	0.3
88.07628	0.5
91.05472	2.8
93.07056	1.4
95.04962	0.5
95.08601	3.0
97.06492	0.4
98.23276	0.3
105.07030	4.4
107.04955	0.4
107.08604	1.8
109.06529	2.7
109.10172	0.9
115.05416	0.5
117.07009	0.7
119.08585	3.9
121.06457	0.5
121.10125	1.0
123.08089	0.5
125.09618	0.4
128.06194	1.3
129.06982	1.7
131.08600	1.9
132.72285	0.3
133.05252	0.2
133.10126	2.9
135.08057	3.0
135.11656	0.4
137.06027	0.3
141.06985	1.4
142.07771	2.2
143.08549	2.9
145.06522	0.4
145.10138	2.0
147.08058	0.6
147.11731	0.7
149.09601	1.8
153.07014	0.9
154.07852	0.3
155.08543	2.8
156.09291	0.7
157.06520	0.6
157.10135	4.5
159.08044	0.7
159.11714	0.4
160.08771	0.3
161.09621	3.2
163.11308	0.3
165.07005	2.2
166.07779	0.8
167.08580	1.8
168.09344	1.0
169.10127	2.7
170.10905	0.4
171.08046	0.5
171.11638	1.9
173.09648	0.8
175.11171	1.3
178.07819	1.2
179.08563	4.3
180.09366	1.5
181.06425	0.3
181.10127	6.3
182.10794	0.4
183.08051	0.4
183.11732	2.6
184.12320	0.3
185.09616	1.5
187.11198	0.5
190.07884	0.4
191.08525	1.8
192.09348	3.2
193.10141	6.3
193.11922	0.3
194.10907	1.5
195.08028	0.7
195.11691	3.4
196.07030	0.2
196.08777	0.5
196.12479	2.2
197.09619	0.4
197.13196	1.1
199.11192	3.8
200.11690	0.3
202.07817	0.6
203.08543	0.6
204.09283	0.8
205.10120	4.0
206.10895	5.4
207.08093	0.9
207.11696	8.5
208.08919	0.5
208.12383	1.0
209.09651	0.7
209.13255	4.4
211.11182	0.6
211.14879	0.4
213.12712	1.1
215.08568	0.5
216.09369	1.2
217.10094	1.9
218.10905	1.3
219.08115	0.7
219.11684	5.4
219.13715	0.5
220.08974	0.5
220.12415	2.7
221.09882	2.6
221.13252	13.9
222.10297	0.7
222.13765	1.1
223.11201	2.5
223.14821	0.7
225.12758	0.7
229.10184	1.0
230.10878	1.5
231.08098	0.3
231.11719	2.3
232.08835	0.6
232.12415	1.6
233.09737	1.4
233.13229	5.9
234.10329	1.6
234.13940	2.2
235.11246	3.0
235.14809	9.0
236.11998	0.6
236.15245	0.5
237.12770	3.2
242.10759	0.4
243.11668	0.9
244.12460	1.1
245.09543	0.3
245.13284	2.9
246.10292	0.8
246.14067	1.2
247.11159	3.6
247.14833	5.4
248.11981	2.1
248.15549	2.9
249.12746	8.0
249.16341	2.1
250.13361	1.0
251.14189	0.5
251.69966	0.3
257.13208	1.5
257.26617	0.4
258.13983	0.5
259.14844	1.1
260.12070	0.9
260.15491	0.3
261.12799	2.5
261.16367	2.6
262.13519	3.9
262.17068	2.2
263.14316	13.9
263.17920	6.9
264.14734	1.3
264.18164	0.5
265.16003	0.3
272.15570	1.2
273.16299	0.3
275.14282	4.0
276.15054	2.9
277.15869	3.0
277.19510	4.7
278.19800	0.3
287.14648	0.4
287.17856	3.0
289.09888	0.3
289.15851	0.7
290.16617	6.1
291.16855	0.3
304.28421	0.5
305.18985	100.0
306.15958	0.6
306.19376	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.05269	0.6
55.05511	7.7
57.07066	0.9
65.03944	0.8
67.05506	8.6
69.07063	3.8
71.08513	0.4
72.04522	3.8
79.05487	4.6
81.06585	0.8
81.07054	11.7
83.08619	2.0
90.28987	0.4
91.05476	17.6
93.07038	8.5
95.04959	0.6
95.08604	13.0
97.10178	4.1
103.05468	1.1
105.04458	0.4
105.07030	16.1
106.07359	0.4
107.08597	5.3
109.10152	10.5
114.09153	0.4
115.05438	1.3
117.07018	6.9
119.08585	6.6
120.25557	0.4
121.10136	4.5
122.60777	0.4
123.11701	5.0
128.06229	1.8
129.07004	6.3
130.07333	0.4
131.08569	9.1
132.09302	0.5
133.10141	2.3
135.11694	3.2
136.29478	0.4
137.13228	0.5
141.06952	2.8
142.07751	1.4
143.08554	6.1
145.10123	9.0
147.11670	1.5
149.13255	1.8
153.06963	0.9
154.07748	0.7
155.08524	4.3
156.09312	1.5
157.10121	5.6
158.10895	1.0
159.11694	4.9
161.13261	1.5
165.06990	3.4
166.07758	2.4
166.42236	0.4
167.08562	4.1
168.09343	1.3
169.10104	2.1
171.11668	5.9
172.12251	0.4
173.13239	4.7
175.14830	0.5
178.07803	1.7
179.08525	5.7
180.09329	2.7
181.10120	8.6
182.10660	0.9
183.11688	4.5
185.13266	1.9
187.14836	4.5
192.09256	1.8
193.10138	7.2
194.10910	4.2
195.11688	9.8
196.12196	0.4
197.13203	3.1
199.14764	3.2
201.16371	1.1
205.10121	1.8
206.10907	1.6
207.11673	3.8
208.12354	2.3
209.13261	8.3
211.14804	0.7
213.16438	0.4
214.17126	1.4
219.11684	1.6
220.12384	0.9
221.13200	2.9
223.14798	16.4
224.15242	0.6
227.17908	1.8
233.13290	0.7
235.14799	10.5
235.17139	0.7
236.15425	0.7
237.16385	0.9
247.14835	0.9
248.15486	0.5
249.13989	0.7
249.16350	5.3
250.16895	0.5
261.16385	0.7
263.17880	1.0
275.17874	1.3
290.20303	0.7
305.22610	100.0
306.22919	6.6
306.28040	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2475
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
51.38489	1.3
53.03930	5.2
54.02350	1.5
55.01863	2.8
55.05510	34.4
56.84741	1.5
57.03448	1.7
57.07072	8.8
59.04989	3.7
65.03944	1.9
67.05502	35.0
69.03413	4.2
69.07066	39.9
70.06585	8.4
71.04990	7.5
71.08628	2.5
71.29069	2.5
75.01147	1.4
79.05489	37.7
81.03436	1.6
81.07055	100.0
81.17796	1.6
82.07372	3.0
83.04967	6.1
83.08618	13.7
85.02907	1.7
85.06531	4.5
88.07626	3.7
88.60139	1.4
91.05472	22.4
93.07040	81.2
95.01320	2.9
95.04971	8.4
95.08605	72.7
96.08924	1.9
97.02889	1.9
97.06526	8.3
97.10165	19.4
99.06932	1.7
99.08065	2.2
105.07027	38.1
105.84418	1.5
107.04944	2.3
107.08588	84.0
108.08935	2.4
109.06525	7.8
109.10152	42.0
111.08089	7.1
111.11715	5.3
113.09608	1.7
117.06995	3.6
119.08582	29.2
119.09428	2.1
121.10142	54.1
123.08056	4.4
123.11695	24.8
125.09628	11.4
127.03876	1.6
127.11198	1.8
127.71186	1.5
129.06985	2.1
131.08615	7.2
132.10197	3.1
133.10127	23.5
135.08034	3.2
135.11693	36.0
137.09595	5.7
137.13252	6.5
139.11165	6.2
140.83821	1.4
143.08546	2.3
145.10118	11.8
146.11789	3.4
146.93675	1.6
147.08031	1.5
147.10638	1.9
147.11699	20.6
149.09720	1.8
149.13255	84.4
151.11205	10.0
153.12720	3.2
153.22816	1.7
155.10658	2.0
157.10152	4.2
159.11678	8.2
161.09596	2.8
161.13252	15.2
163.11192	4.5
163.14798	15.9
165.05444	2.2
165.12769	3.8
171.11671	3.1
173.13280	4.4
175.14812	9.1
177.12727	5.2
177.16397	4.9
179.14320	2.1
181.12302	1.8
185.13252	2.1
187.14832	4.5
189.16313	9.4
191.14241	3.9
193.12201	2.0
193.15927	3.0
195.13795	2.7
200.20099	5.9
203.17992	2.3
204.43387	1.7
209.15298	3.3
213.16400	4.0
217.15981	2.0
219.13782	2.0
221.18967	2.0
227.17712	1.9
231.17392	2.4
235.16922	3.0
243.13602	1.9
244.22728	16.3
249.18567	3.5
269.22662	5.3
277.25146	2.7
287.16504	1.8
287.20593	2.1
287.23636	10.8
305.05292	3.3
305.08234	2.4
305.13461	9.6
305.21454	2.6
305.24692	69.4
306.26379	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2474
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
50.64999	0.9
53.03946	3.0
55.01868	1.2
55.05510	28.0
57.03426	1.4
57.07084	5.2
59.04990	1.3
64.11491	0.9
65.03937	1.3
67.05505	30.3
69.03418	1.3
69.07066	32.8
69.24263	8.7
71.04993	9.1
77.03908	1.5
79.05490	31.5
81.07056	100.0
82.02112	1.1
82.07387	1.7
83.04973	4.0
83.08611	13.1
85.06535	2.8
91.05480	22.0
93.07040	80.4
94.07363	1.4
95.04949	7.2
95.08605	71.0
96.08916	2.4
97.06536	11.6
97.10168	18.8
99.08080	2.7
105.07032	31.9
107.08594	77.5
108.08910	1.6
109.06522	6.3
109.10155	40.7
111.08086	7.5
111.11699	4.0
113.09647	1.9
117.06972	1.7
119.08580	29.3
121.10139	56.2
122.10446	1.6
123.08067	5.3
123.11710	21.3
125.09622	12.2
125.13238	1.1
127.07539	1.1
131.08604	5.3
131.09395	1.2
133.10138	22.6
135.08080	1.3
135.11690	36.4
136.11951	1.1
137.06017	1.7
137.09656	6.2
137.13225	3.9
139.11200	4.5
143.08522	2.1
143.10687	1.1
145.10110	9.0
147.11693	20.9
149.09604	2.4
149.13255	70.5
150.13589	2.6
151.11179	7.6
151.14885	1.4
153.12746	2.1
157.06480	1.7
157.10143	2.7
159.11649	7.1
161.13249	14.4
163.11198	3.6
163.14821	17.1
165.12737	5.3
171.11690	2.3
173.13278	4.6
175.14792	6.6
177.12770	3.4
177.16409	7.1
179.14288	2.3
185.13242	1.8
187.14804	3.0
189.16388	9.5
191.14314	3.5
191.18034	2.6
193.10059	1.1
193.15868	2.1
195.13771	1.5
195.17415	1.5
199.14749	1.7
201.16370	2.6
203.14307	1.4
203.18042	1.4
205.15848	2.2
207.17470	2.0
209.15387	3.6
213.16425	3.1
221.13147	1.1
223.17000	2.5
231.17302	1.6
235.16824	1.3
241.19594	1.3
243.20988	1.8
249.18391	1.8
249.35524	1.2
259.24197	2.9
269.22559	5.9
277.15625	1.2
277.25229	4.9
287.23611	8.1
305.05389	2.0
305.09497	1.6
305.15784	7.1
305.18857	3.4
305.24738	48.7
306.25119	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2475
Annotation	14,15-Dihydro-16-helicallenoic acid
Peak:m/z	Relative Intensity
53.03942	2.8
55.05511	35.3
57.07057	4.2
57.70555	1.3
65.03944	1.2
65.49653	1.0
67.05505	28.7
69.03428	1.7
69.07066	39.0
71.04979	4.3
71.30813	1.5
79.05061	2.2
79.05491	32.8
81.07056	91.4
83.04978	7.6
83.08205	1.4
83.08623	14.0
85.06551	2.9
91.05479	19.3
93.07043	90.1
94.07369	1.8
95.04937	5.9
95.08607	71.0
96.08958	1.2
97.06518	9.6
97.10164	19.4
99.08092	1.7
105.04490	2.2
105.06374	2.5
105.07032	33.3
107.08592	91.5
108.08863	2.1
109.06527	6.0
109.10155	39.6
111.08087	6.0
111.11697	6.2
112.20200	1.3
117.06991	3.4
118.38795	1.1
119.07761	2.3
119.08572	28.1
121.06573	1.5
121.10137	63.1
122.59134	1.2
123.08059	4.1
123.11694	21.8
124.12024	1.3
125.09633	6.9
129.07045	1.2
131.08578	3.9
133.10132	20.5
135.11688	41.8
136.12012	2.2
137.09601	3.3
137.13298	2.9
139.03806	1.4
139.11180	3.9
143.08548	2.1
145.06540	2.0
145.10077	7.7
147.11681	25.7
149.13255	100.0
150.13541	2.7
151.11150	7.5
153.12761	2.8
157.10106	1.9
159.11699	6.5
161.13237	14.0
163.11134	2.0
163.14833	17.2
165.12740	3.6
165.16347	1.3
171.11703	2.3
173.13301	2.7
175.14842	6.3
177.12698	2.0
177.16360	4.7
187.14665	1.6
189.16374	10.1
191.14304	3.2
193.15916	3.3
195.13805	1.8
205.15860	3.5
209.15390	3.0
213.16368	2.4
215.17888	1.7
223.16945	2.8
235.16933	2.9
246.22328	1.6
249.18536	3.2
259.24350	2.2
261.22052	1.4
269.22528	4.6
277.25229	3.1
287.23770	8.4
305.11719	4.3
305.18500	3.1
305.24719	56.0
306.25409	5.2
313.28653	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2474
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
52.10023	1.2
52.17884	1.2
53.03932	2.9
55.01862	4.8
55.05508	26.7
57.03444	6.2
57.07057	5.8
59.04976	2.5
65.03932	2.8
67.05505	39.8
67.28901	1.3
69.03436	8.2
69.03753	1.6
69.07069	35.8
71.04655	1.5
71.04995	18.6
71.29301	1.9
73.06541	2.5
79.05064	2.6
79.05491	36.3
81.07054	100.0
83.04976	5.0
83.08620	10.9
85.06527	5.9
91.04951	2.3
91.05479	23.6
93.07043	60.9
94.07359	1.5
95.04952	5.4
95.08606	77.5
97.06526	12.7
97.10136	7.4
99.04439	4.3
99.08103	6.9
103.47876	1.6
105.07023	48.9
107.08591	69.2
109.06532	11.1
109.10153	56.6
111.08082	12.5
113.05996	1.2
113.09634	4.8
115.05495	1.3
117.07037	5.5
118.99604	1.3
119.08577	51.7
120.08902	2.8
121.01674	1.8
121.06473	2.2
121.09291	2.6
121.10146	44.9
123.08059	12.8
123.11708	21.3
123.66618	1.3
124.12067	1.5
125.09624	13.7
127.10061	1.4
127.11179	4.8
129.06985	2.7
129.09123	2.8
130.07782	2.3
131.08569	12.1
133.10129	39.7
135.08058	4.2
135.11685	30.4
137.09622	13.6
137.13237	3.9
139.07423	1.7
139.11159	4.8
141.09122	3.3
143.08521	5.4
143.10646	5.0
145.10109	24.0
147.08076	3.5
147.11682	32.3
148.11980	2.0
149.09608	3.1
149.13248	21.3
151.11160	10.7
153.12726	4.8
157.10112	9.5
159.11708	27.2
161.09595	1.7
161.13261	19.8
163.11182	4.6
163.14807	6.5
165.12711	4.6
167.14278	2.0
171.11696	7.6
173.09505	3.2
173.13261	17.1
175.11064	1.7
175.14821	11.6
177.12740	2.7
177.16414	12.6
179.14253	1.7
183.11629	1.6
185.13239	5.0
187.14838	9.3
189.12686	1.5
189.16357	7.9
191.14328	4.0
193.10086	1.6
193.15880	1.8
195.17404	3.9
199.14787	8.1
201.16356	13.9
203.17982	4.2
205.15887	5.0
207.17352	1.7
213.16318	8.9
215.17909	2.9
219.17419	2.1
221.13266	1.6
223.16893	7.3
227.14226	1.4
227.17950	4.5
229.19446	4.1
241.16034	1.5
243.21007	1.4
269.15411	1.6
269.22653	21.6
287.16623	4.0
287.23639	15.3
305.15414	3.0
305.18857	4.6
305.21689	2.0
305.24695	43.6
306.24835	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2474
Annotation	14,15-Dihydro-16-helicallenoic acid
Peak:m/z	Relative Intensity
52.45203	1.5
53.03933	4.9
55.01867	1.8
55.05509	35.8
55.99740	1.3
57.03419	1.9
57.07059	5.6
57.27189	1.3
67.05179	2.0
67.05506	28.6
69.03411	2.2
69.07065	45.4
69.23232	11.0
70.06588	3.2
71.04981	6.4
79.05486	32.1
81.07054	84.5
82.07395	2.0
83.04980	6.3
83.08617	17.4
84.08130	1.3
85.06532	3.8
86.09647	1.4
88.07610	1.8
91.05473	23.2
93.07039	89.1
95.04938	7.7
95.08602	67.1
95.09046	1.2
95.09232	1.7
96.08932	2.0
97.06513	8.4
97.10168	21.9
105.04495	1.9
105.06495	0.8
105.07024	30.1
107.08589	88.8
108.08892	1.4
108.72016	1.3
109.06470	6.7
109.10148	43.0
111.08093	6.9
111.11700	5.9
117.06992	2.1
119.08578	29.3
121.10141	56.8
122.10458	1.3
123.08061	2.9
123.11707	22.3
125.09624	5.7
131.08546	3.1
132.10165	1.3
133.10136	18.5
135.08017	2.1
135.11690	37.5
136.45595	1.4
137.09605	3.5
137.13255	5.3
137.26707	1.2
139.11148	3.1
143.08530	2.0
145.10129	8.6
147.11674	22.1
149.13249	100.0
150.13554	1.9
151.11165	6.2
153.09013	1.5
153.12730	2.1
153.16939	1.3
153.30052	1.3
157.10097	1.4
159.11742	6.7
161.13271	12.8
163.11211	1.7
163.14801	22.5
165.12785	3.7
171.11690	2.0
173.13280	3.1
175.14810	7.3
177.12752	5.5
177.16374	5.5
179.14227	3.0
184.43639	1.3
185.13271	1.7
187.14810	2.8
187.98030	1.5
189.16437	8.2
191.14354	2.7
191.18027	2.4
193.15823	2.4
195.13831	3.2
199.14784	1.6
200.20105	5.0
205.15862	1.5
209.15433	3.6
213.16330	2.4
231.17455	2.9
235.16943	2.7
244.22708	8.9
245.11508	8.0
249.18480	3.9
259.24213	2.7
269.22687	5.2
277.25250	3.7
287.23743	6.9
305.13547	3.3
305.21484	2.4
305.24719	68.4
306.26471	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2475
Annotation	14,15-Dihydro-16-helicallenoic acid
Peak:m/z	Relative Intensity
53.03941	3.2
55.05515	36.5
57.03445	1.9
57.07072	8.2
65.03936	2.7
67.05505	32.0
69.03442	2.2
69.05845	13.2
69.07072	42.5
70.06612	2.0
71.04984	7.7
71.08649	2.3
77.62777	1.4
79.05492	38.0
80.03658	1.4
81.07061	100.0
82.07407	2.6
83.04990	6.4
83.08614	18.5
85.06554	4.0
87.04432	1.7
88.07635	3.1
91.05486	24.5
93.07048	97.4
94.07397	2.3
95.04979	6.7
95.08610	73.3
97.06531	6.4
97.10169	19.5
98.22635	3.2
99.35743	1.6
105.07036	38.9
107.08598	94.5
108.08936	2.1
108.92398	1.5
109.06529	6.4
109.10156	44.6
111.08096	9.1
111.11736	5.4
113.09637	2.3
117.06990	1.8
119.08589	32.3
121.06541	2.2
121.10144	62.6
122.10505	2.1
123.08081	4.2
123.11708	18.3
125.09629	10.9
129.06979	2.3
131.08580	4.2
133.01559	1.7
133.10132	23.6
133.88174	1.4
135.11699	42.3
136.12076	2.1
137.09607	5.2
137.13216	3.8
139.11203	5.4
143.08580	2.8
145.10139	5.6
147.11691	21.9
149.09610	2.5
149.13260	91.8
150.13629	2.4
151.11171	6.5
153.12793	2.2
156.09314	1.6
157.10150	3.1
159.08080	2.8
159.11688	8.1
161.09584	1.6
161.13254	15.9
163.11226	3.5
163.14806	16.8
165.12785	6.0
173.13254	4.4
175.14816	10.3
177.12840	4.4
177.16351	5.3
187.14839	2.8
189.16408	8.8
191.14296	2.6
191.17969	2.2
193.15871	2.7
195.13823	1.9
199.14865	3.1
201.16460	1.8
209.15428	3.8
213.16547	2.2
219.11742	2.0
223.16872	3.7
231.17569	1.8
231.21085	2.1
235.11003	1.6
235.16937	4.3
243.25159	3.3
247.11232	1.9
247.14731	1.7
249.18625	2.0
259.24231	3.6
261.22177	2.5
269.22672	4.4
277.25272	4.1
287.23694	6.4
297.64252	1.6
305.05420	3.7
305.15326	14.0
305.18964	8.8
305.24774	58.0
305.28720	11.6
306.25571	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2475
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03943	6.9
55.05505	15.5
57.07061	4.0
67.05507	26.9
69.07067	16.4
71.04997	55.5
73.06556	5.1
76.30869	3.8
79.05496	34.5
81.07057	100.0
91.05478	22.5
93.07049	54.5
95.04980	5.6
95.08604	68.8
95.09167	6.0
97.06542	32.8
98.23354	10.1
99.08060	7.9
105.07033	53.2
107.08601	77.2
109.06503	8.4
109.10158	40.0
115.05440	3.6
117.07028	4.0
119.08578	46.3
121.10141	38.7
123.08015	5.4
123.11713	18.3
125.09655	11.2
127.11234	11.3
131.08575	10.8
131.86008	4.0
133.10155	28.1
135.11700	55.0
137.05907	3.8
137.09619	4.2
141.12737	4.2
143.08543	5.1
145.10110	17.9
147.11710	34.3
149.13266	7.1
153.12714	24.4
157.10028	4.4
159.11694	13.7
161.13194	7.2
163.14742	4.0
165.12694	3.6
171.11731	4.3
173.13297	14.5
175.14864	21.6
187.14902	5.0
189.16422	7.4
191.17949	5.3
201.16434	34.2
203.17943	9.0
221.09694	4.8
221.13336	4.8
262.13156	4.4
263.14264	6.3
287.23587	4.6
305.07980	18.1
305.18958	41.1
305.24799	7.5
306.08618	5.2
306.19299	3.9
313.89413	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2475
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03934	3.4
54.05579	2.4
55.01930	2.6
55.05515	23.4
57.07077	4.5
59.05003	15.7
67.03973	2.4
67.05508	27.9
69.03416	3.4
69.07069	32.1
71.04993	26.4
71.30928	4.0
73.06572	3.1
73.71854	2.7
79.05499	25.2
81.07058	87.1
83.04995	5.2
83.08628	13.3
85.06531	5.7
89.54041	2.4
91.05489	26.1
93.07046	74.6
95.04972	6.8
95.08610	66.5
95.09167	5.4
97.06528	24.6
97.10181	6.0
99.08081	9.5
100.52662	2.5
105.07040	59.1
107.08596	100.0
108.08989	3.0
109.06514	7.3
109.10155	42.2
111.11716	3.8
117.07035	3.9
119.08581	57.2
120.08914	3.1
121.06512	3.9
121.10141	52.7
123.08091	4.2
123.11686	20.0
125.09630	18.7
127.11203	8.3
129.06990	6.1
131.08568	13.1
133.10136	30.0
135.11700	33.5
137.05969	8.9
137.09645	5.4
137.13229	3.3
139.11145	4.4
141.09077	3.1
142.07832	3.0
143.08571	6.2
143.10684	10.7
144.09341	3.1
145.10130	26.8
147.11674	37.9
149.13255	53.5
151.11205	6.8
153.12775	12.1
157.10167	11.0
159.11728	25.4
161.13261	17.9
163.14827	5.1
165.12790	6.4
171.11734	5.8
173.13293	12.5
175.14848	12.6
177.16429	3.7
179.14374	3.1
180.50705	2.9
185.13268	6.1
187.14825	3.5
189.16425	11.2
191.17883	5.9
199.14833	5.6
201.16399	34.2
203.17902	14.2
213.16379	6.0
215.17941	9.5
217.19510	4.5
227.17865	4.0
229.19453	4.2
235.14832	4.7
245.13235	3.0
263.14136	3.6
269.22665	12.0
287.23679	15.5
305.15329	11.1
305.18985	20.1
305.24796	33.4
305.31454	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2474
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03949	5.0
55.05514	22.4
57.03435	4.3
57.07066	8.1
59.04992	2.7
64.09342	2.4
64.39050	2.4
67.05177	2.9
67.05506	28.5
69.01969	13.7
69.02399	11.3
69.03432	15.5
69.07067	28.3
71.04993	45.9
71.08614	2.2
75.24402	2.4
79.05492	34.9
81.07059	100.0
83.04985	7.5
83.08611	7.7
85.06543	4.0
88.07627	2.4
91.05484	21.8
93.07047	67.8
95.04953	5.8
95.08611	64.3
97.06526	17.0
97.10184	7.0
99.08109	15.4
105.07032	39.3
107.04934	3.6
107.08597	82.7
108.08944	2.9
109.06525	9.4
109.10152	34.9
110.58977	2.2
111.08082	9.3
111.11738	4.5
113.09652	2.2
117.07053	5.0
119.08576	40.5
121.10164	36.4
123.08094	5.3
123.11695	34.9
125.09636	26.6
127.07560	8.2
127.11196	58.5
129.07030	3.2
131.08611	10.9
133.10133	29.0
135.11699	92.5
137.05957	8.4
137.09612	6.9
137.13235	12.1
139.11168	26.9
141.06961	3.7
141.09123	3.1
142.07782	5.3
145.10129	20.5
146.95665	2.1
147.11688	16.9
149.09579	3.1
149.13278	26.8
151.11139	12.4
155.08575	3.5
155.10666	28.2
157.10126	14.1
159.11685	18.2
161.09715	2.7
161.13269	14.7
163.11169	6.9
163.14821	8.4
165.12819	3.4
169.10167	4.0
171.11694	7.9
173.13229	12.8
175.14883	8.5
177.12766	3.1
177.16316	3.6
179.14342	4.3
181.10117	3.4
181.12221	2.7
183.11699	2.9
183.13795	7.1
185.13289	10.1
187.14806	7.8
189.16371	7.1
191.08534	3.5
192.09390	2.5
193.10098	4.2
194.11768	9.1
195.11858	3.1
199.14778	5.3
201.16403	31.9
203.17943	6.1
205.15991	3.2
206.10950	2.7
207.11726	7.0
209.15308	2.3
213.16432	8.2
215.17894	3.9
217.15904	3.0
219.11841	4.9
219.17444	16.6
220.12489	2.7
221.13257	5.9
227.17920	4.0
231.11708	5.2
233.09570	2.6
233.13297	2.8
245.13228	2.8
247.14713	2.7
249.12761	3.6
250.17946	5.4
261.12915	2.4
261.16260	4.0
262.13596	3.4
263.14337	2.1
263.17743	3.3
269.22656	15.6
277.19278	2.7
287.23639	28.7
291.50720	2.5
305.08185	5.5
305.15262	8.1
305.18903	52.3
305.24670	49.9
305.31207	3.7
306.25085	5.2
319.69016	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.0
55.05514	22.4
57.03435	4.3
57.07066	8.1
59.04992	2.7
64.09342	2.4
64.39050	2.4
67.05177	2.9
67.05506	28.5
69.01969	13.7
69.02399	11.3
69.03432	15.5
69.07067	28.3
71.04993	45.9
71.08614	2.2
75.24402	2.4
79.05492	34.9
81.07059	100.0
83.04985	7.5
83.08611	7.7
85.06543	4.0
88.07627	2.4
91.05484	21.8
93.07047	67.8
95.04953	5.8
95.08611	64.3
97.06526	17.0
97.10184	7.0
99.08109	15.4
105.07032	39.3
107.04934	3.6
107.08597	82.7
108.08944	2.9
109.06525	9.4
109.10152	34.9
110.58977	2.2
111.08082	9.3
111.11738	4.5
113.09652	2.2
117.07053	5.0
119.08576	40.5
121.10164	36.4
123.08094	5.3
123.11695	34.9
125.09636	26.6
127.07560	8.2
127.11196	58.5
129.07030	3.2
131.08611	10.9
133.10133	29.0
135.11699	92.5
137.05957	8.4
137.09612	6.9
137.13235	12.1
139.11168	26.9
141.06961	3.7
141.09123	3.1
142.07782	5.3
145.10129	20.5
146.95665	2.1
147.11688	16.9
149.09579	3.1
149.13278	26.8
151.11139	12.4
155.08575	3.5
155.10666	28.2
157.10126	14.1
159.11685	18.2
161.09715	2.7
161.13269	14.7
163.11169	6.9
163.14821	8.4
165.12819	3.4
169.10167	4.0
171.11694	7.9
173.13229	12.8
175.14883	8.5
177.12766	3.1
177.16316	3.6
179.14342	4.3
181.10117	3.4
181.12221	2.7
183.11699	2.9
183.13795	7.1
185.13289	10.1
187.14806	7.8
189.16371	7.1
191.08534	3.5
192.09390	2.5
193.10098	4.2
194.11768	9.1
195.11858	3.1
199.14778	5.3
201.16403	31.9
203.17943	6.1
205.15991	3.2
206.10950	2.7
207.11726	7.0
209.15308	2.3
213.16432	8.2
215.17894	3.9
217.15904	3.0
219.11841	4.9
219.17444	16.6
220.12489	2.7
221.13257	5.9
227.17920	4.0
231.11708	5.2
233.09570	2.6
233.13297	2.8
245.13228	2.8
247.14713	2.7
249.12761	3.6
250.17946	5.4
261.12915	2.4
261.16260	4.0
262.13596	3.4
263.14337	2.1
263.17743	3.3
269.22656	15.6
277.19278	2.7
287.23639	28.7
291.50720	2.5
305.08185	5.5
305.15262	8.1
305.18903	52.3
305.24670	49.9
305.31207	3.7
306.25085	5.2
319.69016	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2475
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
52.62963	2.5
55.01881	2.9
55.05509	31.0
57.03426	5.8
57.07071	22.1
66.26401	2.4
67.05499	34.0
69.03430	43.2
69.07070	47.5
71.04989	6.8
77.03972	3.2
77.23099	2.9
79.05495	24.2
81.07056	85.3
81.07524	6.1
83.04983	5.2
83.08620	21.7
85.06538	8.0
88.07642	3.0
91.05470	21.1
93.07039	64.3
95.04963	3.2
95.08602	100.0
97.06516	32.7
97.10168	11.0
99.08099	6.4
105.07028	41.6
107.04961	10.6
107.08589	77.8
107.09282	5.4
109.06496	13.4
109.10154	59.3
111.08094	9.7
111.11717	6.6
113.09650	4.3
117.07018	5.5
119.08581	36.7
121.10136	58.6
123.08093	8.7
123.11695	32.3
125.09621	43.2
127.11198	6.0
129.06999	3.4
131.08595	11.7
133.10133	36.9
135.08092	4.1
135.11707	37.9
137.05960	4.7
137.09619	5.5
137.13254	34.2
139.11154	43.2
141.09073	2.8
142.07849	2.6
143.08617	3.4
145.10130	16.1
147.08025	3.6
147.11702	22.6
149.09726	4.2
149.13252	29.1
151.11150	15.8
153.09117	4.8
153.12772	7.3
157.10150	11.1
159.11707	18.5
161.13234	21.1
163.11198	10.9
163.14859	11.3
165.12791	8.0
167.14272	3.7
171.11777	5.9
173.13274	11.7
175.14877	12.6
177.12775	5.0
177.16371	6.7
179.14340	6.0
180.19044	3.0
181.12239	7.2
185.13278	4.4
187.14836	9.7
189.16360	7.3
190.07750	3.0
191.08574	3.7
191.14374	4.2
193.10236	2.6
194.11781	33.0
199.14789	8.5
201.16431	7.8
203.17957	13.9
204.18414	2.8
205.10022	3.3
205.15958	5.3
206.10841	2.9
213.16373	10.7
215.17964	5.2
219.08028	5.6
219.17516	5.5
221.13226	6.5
221.19058	11.2
227.18013	4.2
229.19560	7.0
235.17052	3.9
238.06229	3.8
247.07491	5.1
249.16591	4.2
250.18028	38.8
262.06314	6.7
263.24008	2.6
269.22617	27.5
275.07126	2.8
276.07794	4.2
277.08566	7.8
287.23669	22.7
290.05771	5.3
305.08047	45.2
305.15402	6.1
305.19012	23.1
305.24771	75.1
305.30545	9.3
306.05533	3.1
306.08636	6.2
306.24661	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
55.01878	0.6
55.35762	0.3
56.58203	0.3
57.03430	1.4
61.02930	1.3
62.68365	0.3
64.39970	0.3
66.11297	0.3
69.03436	4.2
69.07072	0.4
69.77132	1.4
71.05003	0.6
72.98476	0.6
73.02907	0.9
78.03458	1.0
79.35203	0.4
81.03428	1.5
83.04970	0.4
84.08134	0.6
85.02910	18.4
85.06551	0.4
87.04464	0.8
90.03448	5.5
90.03962	0.5
91.05492	0.7
93.07056	0.8
97.02898	3.3
99.00011	2.9
99.04452	0.9
101.02360	0.5
102.49022	0.4
102.89983	0.4
103.03931	0.8
105.00124	0.4
107.04979	0.4
108.04478	0.7
109.02914	1.9
109.10153	0.4
121.06509	3.2
122.02729	1.6
123.04431	0.9
124.07571	0.4
126.01077	100.0
126.05505	4.3
127.01845	1.9
127.02695	0.5
127.02998	0.4
127.03909	3.9
127.07484	0.4
128.02644	1.5
128.04265	0.6
130.06569	0.6
136.66411	0.4
137.05972	0.5
139.03874	0.6
140.07077	0.6
144.02121	88.8
145.02460	1.5
145.04982	1.8
146.06006	1.2
149.05977	0.8
151.03931	0.4
157.07613	0.4
158.05945	0.6
179.03346	0.5
185.08197	0.4
186.03195	1.7
202.08661	0.4
205.09753	0.4
210.03226	0.7
219.11192	0.6
247.10796	0.9
264.11472	0.6
270.05136	0.4
270.07748	0.4
288.06049	1.9
289.11591	0.9
303.18726	0.4
306.07263	3.7
306.10025	0.6
306.13885	0.7
307.12991	2.1
307.15991	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01872	0.4
56.05044	0.4
57.03447	1.8
58.06584	0.5
58.99571	0.5
61.02930	2.4
65.03937	2.2
68.05040	1.9
68.05348	0.3
69.00896	0.3
69.03432	5.2
69.42307	1.9
71.04994	0.7
73.02917	1.4
80.71451	0.3
81.03401	1.2
82.06553	0.3
84.04517	3.9
84.08145	18.0
85.01140	2.3
85.02908	14.4
86.06064	1.2
86.09724	0.7
87.04465	1.4
88.04002	0.4
91.03952	0.5
97.02917	2.8
98.00639	2.5
98.28973	0.3
99.02062	0.4
99.02679	5.2
99.04449	0.9
101.02394	0.4
103.03941	0.7
107.04916	0.4
109.02884	1.6
113.02950	3.2
114.03741	0.3
120.53736	0.4
126.03743	28.6
126.09155	0.5
127.03893	2.6
127.04566	2.0
130.08652	0.4
141.13838	1.3
144.04785	100.0
145.05060	2.8
150.02739	0.4
166.31635	0.3
169.13341	1.8
171.82146	0.3
186.05870	2.8
198.11134	0.5
215.13908	6.2
218.08022	0.3
224.57980	0.3
243.17038	8.3
262.11035	0.9
271.10724	0.4
288.08957	0.4
306.10016	10.2
307.16919	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93521	3.5
56.56682	1.8
58.86712	1.7
63.86054	1.9
65.19342	1.6
67.05499	2.5
68.99805	2.2
69.03410	2.5
71.29188	3.0
71.93017	3.2
72.93796	3.4
79.51427	2.3
84.04507	2.4
85.02892	3.6
88.17081	1.9
90.94854	3.2
95.04970	4.4
97.02885	2.8
99.04388	2.1
101.00928	2.2
107.04996	1.7
109.36936	1.8
111.04431	3.2
119.01922	7.9
120.04406	11.8
121.01712	2.6
122.07140	4.1
123.04389	3.7
127.03899	7.9
127.90523	1.8
128.04254	3.6
130.06543	1.9
131.95013	2.3
132.95801	2.5
135.04446	3.7
137.05948	2.4
138.05481	8.2
139.03903	100.0
149.96133	4.2
151.03862	7.7
152.04256	4.5
153.05540	2.0
159.04405	4.2
159.06424	2.0
160.07602	5.9
161.02998	4.3
162.03055	5.5
162.05513	10.0
163.03934	10.7
164.08209	4.1
168.06583	2.2
174.03186	3.4
177.05502	3.6
179.03442	2.2
181.05020	5.1
226.50325	2.1
234.99020	4.5
241.95241	2.4
246.05247	4.0
248.97220	3.3
258.97311	10.2
261.03119	5.5
288.05460	2.1
300.98547	9.0
307.12866	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.1
54.67249	0.1
55.01899	0.1
55.05515	0.1
57.07060	0.1
58.02956	0.3
65.03946	0.2
66.04707	0.2
67.05503	0.4
69.07074	1.4
70.61526	0.1
70.61861	0.2
71.08627	0.2
75.91786	0.1
77.03932	0.1
79.05498	0.8
81.07063	1.0
83.08633	0.2
84.08173	0.1
87.42293	0.1
91.05483	0.6
91.31050	0.1
93.07037	0.6
94.04192	2.5
95.04980	0.1
95.08609	0.3
97.06544	0.5
100.07639	0.3
101.45348	0.1
103.42459	0.1
105.03313	0.1
105.07038	0.3
107.04968	0.3
107.08611	0.7
109.06508	0.6
109.10166	0.7
111.11726	0.2
112.07596	0.1
114.09234	0.5
119.08590	0.1
121.10199	0.1
122.03657	7.3
123.04003	0.2
123.11729	0.1
126.09171	0.5
133.10109	0.6
135.11720	1.2
137.05984	100.0
138.06322	2.8
138.12743	0.2
147.11722	0.2
151.11234	0.3
153.12758	1.3
165.12697	0.1
170.14026	0.2
170.15416	3.0
182.15422	2.6
183.15714	0.1
183.44983	0.1
306.20639	1.2
307.20856	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22187	0.8
58.99857	1.1
69.77989	2.9
69.78333	1.0
70.99890	1.2
82.99872	3.2
84.04507	1.1
97.01394	5.5
101.00891	49.3
102.00964	1.7
103.00630	1.1
107.83592	1.1
113.00853	5.9
115.02451	17.9
117.03995	2.3
119.01933	100.0
120.02040	4.4
120.37152	1.1
120.59373	1.1
121.01624	1.6
126.98724	1.5
129.03992	6.5
131.01921	15.3
133.03476	17.9
135.05067	1.7
136.20490	1.1
137.02977	14.7
139.03973	1.0
142.03500	1.4
143.01886	9.9
144.02112	1.1
144.99844	3.5
145.03519	5.2
147.01445	1.4
147.05051	5.6
149.03001	1.7
151.04538	2.3
155.01913	2.3
157.01653	2.2
157.03522	4.8
159.01384	4.8
161.02977	17.9
168.99843	11.1
170.00023	1.5
171.01433	1.6
172.99406	1.3
173.02946	5.2
175.02753	2.8
175.04543	1.6
176.04625	1.1
177.02463	13.6
178.32866	1.0
179.52902	1.1
185.02979	1.3
186.07584	1.6
187.00897	27.8
187.04562	1.3
188.01089	1.5
189.02432	2.3
191.04066	2.8
196.99326	6.8
199.00951	1.4
199.02728	1.6
201.02504	2.9
203.03989	1.4
205.01955	12.0
215.00386	39.9
216.00616	2.5
217.01917	2.4
219.03552	11.6
221.05153	3.0
229.01976	18.8
231.03644	1.1
233.01474	5.3
235.06735	2.4
243.07832	1.7
247.03008	69.3
247.06805	2.1
248.03238	7.1
253.07813	2.5
265.04111	12.0
265.07651	3.0
266.04193	1.4
289.03976	7.3
307.05182	5.4
307.07983	4.1
307.10046	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	2.2
67.56651	1.0
70.06571	1.0
81.04543	2.5
85.02887	2.1
85.17371	1.1
95.04962	1.6
97.02822	1.5
98.23424	2.6
101.00880	1.4
107.04942	1.8
109.02871	1.7
111.04455	3.9
119.01926	3.9
121.02856	1.7
122.07162	20.6
127.03933	2.3
131.04953	1.5
135.04413	4.3
139.03906	100.0
140.04251	2.8
144.04797	12.1
149.06017	1.4
151.03929	3.8
153.01915	2.0
159.04395	2.0
162.05588	1.4
163.02629	1.7
163.03889	9.3
164.08206	19.7
164.09535	1.6
165.08189	1.1
169.04979	2.0
172.97873	1.1
177.00943	4.4
177.05472	4.1
181.04985	4.2
183.01236	1.5
195.06462	2.9
205.05029	1.1
219.01958	5.3
220.02032	1.0
223.06104	1.2
243.01918	1.8
259.97443	1.6
261.03061	20.7
262.03226	1.9
307.04654	1.7
307.08435	1.4
307.12427	1.7
325.02658	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
55.01865	1.9
55.05487	1.4
55.90778	1.0
57.03419	2.2
67.05496	4.1
69.03413	3.9
69.07053	1.2
71.04984	1.9
71.68057	1.0
79.05479	2.9
81.03419	3.4
81.07032	2.7
83.04946	1.3
85.02899	4.1
87.04486	1.4
91.05478	4.0
93.07024	2.7
95.04964	2.5
95.08583	2.1
97.02912	2.3
105.03371	1.4
105.07044	3.4
106.91792	1.1
107.08587	4.3
109.02871	1.6
109.06554	2.0
109.10170	4.6
115.05463	3.4
117.06968	1.3
119.04906	1.6
119.08591	3.4
121.10124	1.9
127.03920	2.3
127.11185	1.5
131.08594	2.2
133.10150	3.0
135.08058	3.3
135.11682	2.6
137.06042	1.4
137.09633	1.5
143.08502	1.5
145.02596	15.1
145.06476	20.6
145.07600	1.9
147.04352	3.4
147.08008	2.0
147.11708	1.5
149.09637	1.4
157.10165	1.2
159.11655	2.3
163.03821	2.4
163.07605	1.5
173.13260	1.6
185.04210	100.0
186.04570	1.8
189.05373	1.4
221.78545	1.0
228.74980	1.2
275.13943	1.3
289.11807	1.5
289.18057	1.6
307.07877	89.2
307.12610	4.8
307.19156	3.4
308.08231	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.079
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92218	1.1
70.06585	1.9
71.28992	1.7
80.04545	1.2
94.13204	1.4
94.93019	15.4
119.01915	2.5
139.03979	1.4
154.14723	1.3
173.03058	1.6
175.02667	2.5
202.89111	100.0
214.44652	1.3
215.00357	2.0
216.90659	2.4
218.92308	3.1
244.90210	3.5
246.87968	3.0
247.03000	2.0
306.90204	3.5
307.07654	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60508	5.9
53.05285	5.7
62.13820	6.6
66.14053	5.3
69.65866	18.4
88.43620	5.4
101.00901	39.7
109.31512	5.4
113.00839	7.2
115.02460	11.8
119.01948	66.6
131.01935	14.2
133.03459	11.9
137.02953	7.4
143.01950	11.6
145.03497	8.1
157.03459	10.4
161.02995	16.7
168.99855	7.8
175.04472	6.7
177.02364	6.0
187.00919	20.5
203.03992	5.8
205.01985	7.4
215.00438	31.2
219.03697	7.5
229.01933	15.0
247.03006	50.7
253.07765	8.2
265.07663	9.1
301.02487	6.3
307.07590	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0811
Annotation	(-)-Gallocatechin
Peak:m/z	Relative Intensity
53.00297	0.8
53.03935	0.5
55.01855	0.9
56.05027	0.3
65.03931	1.3
67.05490	1.2
68.99788	1.1
69.03419	0.9
69.07069	0.9
70.06583	0.6
71.30244	0.4
73.85323	0.3
74.06085	0.6
79.05476	0.8
81.03423	0.6
81.07051	0.6
83.04972	0.9
85.02920	0.7
85.06538	0.9
87.00838	0.3
91.05458	0.4
93.03406	0.7
93.07101	0.4
95.04980	1.7
97.02877	0.5
97.06506	0.4
104.86454	0.3
105.07010	0.4
107.04957	1.5
109.06485	0.6
111.03793	0.3
111.04415	2.0
114.69003	0.3
115.07544	0.6
119.04962	0.6
121.02863	1.2
121.06555	0.6
123.04432	4.4
124.04759	0.8
127.03930	1.4
127.07576	0.6
130.06509	2.6
131.04947	1.2
132.04424	0.5
133.02835	1.5
135.04414	2.9
137.02341	0.5
138.02722	0.3
138.05505	2.5
139.03900	100.0
140.04240	2.8
145.02902	0.8
146.06010	2.1
147.04404	1.5
149.05997	1.1
151.03931	3.7
153.05463	1.3
155.03383	1.2
156.06514	1.2
157.07613	2.7
158.06001	3.3
159.04378	2.2
159.09187	0.4
160.07605	0.5
163.03905	10.4
165.05579	0.5
167.07069	0.4
168.06592	0.7
169.04988	1.8
175.08659	1.0
177.05466	3.0
179.03340	0.4
181.04942	4.4
187.72110	0.3
195.06535	2.3
203.08191	0.3
205.05057	1.0
223.05931	1.5
243.07834	0.4
247.05969	0.7
261.08807	0.5
289.07074	0.9
289.11789	0.7
290.07440	0.5
307.08221	1.6
307.12357	0.6
308.11307	2.3
308.17105	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0811
Annotation	(-)-Gallocatechin
Peak:m/z	Relative Intensity
51.06752	0.3
53.00300	0.7
55.01868	1.0
65.03933	1.0
67.05491	0.9
68.99787	1.4
69.35194	1.4
69.35599	0.6
71.01342	0.3
79.05486	0.7
83.04966	0.8
89.03893	0.3
93.03400	1.1
95.04962	1.6
97.02870	0.3
98.22559	0.3
107.04941	2.0
111.04434	1.8
117.03380	0.6
121.02887	1.5
121.06483	0.3
122.19210	0.3
123.04440	2.0
127.03912	1.5
131.04926	1.4
133.02812	1.4
135.04425	3.1
139.03899	100.0
140.04236	2.7
145.02873	0.7
147.04382	0.6
149.05962	1.0
151.03906	3.3
153.01805	0.6
153.05450	1.1
155.03403	0.8
159.04416	2.9
163.03900	11.2
164.04324	0.3
165.05515	0.4
167.07104	0.3
169.04935	1.5
177.05502	3.9
178.05937	0.4
181.04950	3.8
188.15401	0.3
195.06509	2.8
205.05017	1.0
223.06013	1.1
239.61522	0.3
247.06006	0.5
265.07193	0.3
274.32809	0.3
289.07019	0.4
307.08060	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26759	2.7
53.03938	7.4
55.01850	3.5
57.03434	4.7
61.02935	4.5
67.05496	4.8
69.03436	43.4
69.07076	4.0
69.26397	2.7
69.30028	21.9
71.04979	8.0
73.02929	4.4
79.05502	3.4
80.87309	3.2
81.03420	41.5
81.07053	6.4
82.17926	3.4
85.02906	86.2
93.07019	5.5
95.04984	4.0
95.08648	4.2
97.02904	45.7
99.04447	39.6
103.03951	67.0
105.07027	4.8
107.08586	6.5
109.02897	26.7
119.08610	3.6
122.22700	3.5
127.03924	100.0
137.05965	16.8
138.06297	10.5
139.03918	4.0
145.04929	15.6
157.10127	4.2
181.10155	4.0
185.95120	3.5
187.06041	22.4
192.09373	9.0
193.10060	3.9
195.11726	4.2
201.12880	3.4
205.07094	14.5
205.10057	5.5
207.11688	14.3
231.11665	4.3
233.13319	5.2
247.14798	12.2
261.16351	3.6
265.11981	3.6
271.08325	3.4
307.16928	52.8
307.20499	23.3
307.23926	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.3
53.35395	2.6
55.01857	8.5
55.05505	3.0
57.03440	7.7
59.99136	2.5
69.03430	50.8
69.07057	4.2
71.04984	7.4
73.02914	5.7
79.05502	3.8
81.03419	36.9
81.07039	4.6
85.02908	84.8
93.07056	4.4
95.08611	4.0
97.02890	40.4
97.06552	5.1
98.22651	8.9
99.04453	37.7
103.03939	70.3
105.07036	4.3
107.08559	2.5
109.02863	28.3
115.03954	2.6
123.71986	2.6
127.03914	100.0
129.56725	2.6
145.04980	17.3
187.06009	27.9
199.11038	3.4
203.12762	3.5
205.07077	9.8
205.10222	2.7
219.11740	5.0
221.13261	2.8
233.13503	2.9
246.14195	3.7
247.14760	6.3
253.07365	3.1
271.08179	5.0
275.19998	5.5
292.10709	2.7
307.16849	7.2
307.20483	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.2
55.01879	2.8
57.03434	7.5
59.56836	1.9
61.02913	3.9
62.05922	1.6
69.03428	59.1
69.27001	14.1
71.01327	2.2
71.04987	10.3
71.63371	1.7
73.02917	5.4
73.82677	1.7
81.03419	39.2
85.02905	100.0
97.02281	2.5
97.02898	43.7
99.04458	42.7
101.01717	2.0
101.02374	2.2
103.03941	73.6
109.02882	29.9
127.03910	98.8
145.04950	26.6
163.05957	2.2
187.06024	25.3
193.06480	3.1
205.07051	13.2
217.12155	1.8
219.07967	2.5
221.06052	3.7
236.08316	2.9
240.00249	2.1
247.07593	2.4
249.05539	3.1
249.09068	2.7
261.09030	2.2
264.07825	7.2
267.28088	2.2
271.08099	2.6
272.75403	1.9
277.08322	5.3
279.06653	2.1
279.10092	5.9
292.07275	5.5
292.10608	8.2
293.04254	2.5
293.07901	2.8
307.05994	12.0
307.09604	27.9
307.13168	21.5
308.06696	6.4
308.10233	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.5
55.01877	6.1
55.05523	5.3
57.03441	10.2
61.02950	4.2
67.05504	8.4
69.03432	57.2
69.07066	6.7
69.79314	7.8
71.04998	7.4
73.02929	6.7
74.11452	2.5
79.05505	3.6
79.09985	2.4
81.03421	38.8
81.07060	10.0
81.94305	3.9
83.08632	4.6
85.02905	85.2
86.03271	3.1
89.97494	3.0
91.05495	3.3
93.07060	6.1
95.04989	3.5
95.08612	9.7
97.02886	43.3
98.06052	9.4
99.04464	43.1
103.03947	72.0
105.07014	9.1
107.08582	4.5
109.02895	25.3
109.06523	12.8
109.10196	4.9
119.08581	5.0
127.03912	100.0
131.08588	3.6
135.08051	7.3
145.04965	17.3
145.10252	3.4
159.11679	4.3
160.57314	2.7
160.82581	3.0
161.09712	3.9
165.07016	9.5
165.12862	3.3
167.08644	3.9
169.10114	4.1
179.08601	4.4
187.06001	18.5
193.06480	5.8
193.10181	4.3
195.11818	3.6
205.07022	8.5
205.10194	3.4
207.11681	8.7
209.13197	4.6
211.14792	3.6
221.06013	8.6
221.13268	3.4
222.06834	4.0
223.14812	3.2
226.00769	2.8
232.12611	4.1
235.07544	4.0
237.05540	4.6
247.10922	2.9
247.14793	5.1
249.05534	9.7
251.06969	4.3
251.14307	4.2
263.06943	4.4
263.18127	4.5
264.05283	2.5
264.07785	15.8
265.04956	9.4
265.08344	3.6
265.16043	3.3
277.04987	3.4
277.08783	3.6
279.06577	8.8
279.09979	4.1
290.05850	2.7
292.07175	6.7
293.04462	12.3
293.07718	4.4
306.27954	26.6
307.05978	64.3
307.09610	42.0
307.16925	17.6
307.20541	30.9
307.23541	5.8
307.28339	11.6
308.06787	28.6
308.10013	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.5
55.01890	3.7
55.05500	7.1
57.03428	7.2
61.02926	5.5
67.05518	3.6
69.03430	56.6
69.07076	2.7
69.10536	12.1
69.10952	5.3
71.04999	6.8
73.02914	6.9
79.05517	3.7
81.03419	39.7
81.07034	6.3
83.08627	2.6
85.02905	86.8
93.07031	5.6
95.04940	3.2
95.08598	5.9
97.02895	44.2
99.04462	40.6
101.02361	3.6
103.03944	67.8
105.07046	3.4
107.08616	5.8
109.02873	27.8
109.10118	3.9
111.04431	5.8
119.08585	3.6
127.03913	100.0
129.87537	2.1
133.10135	3.3
145.04967	23.3
145.10123	2.5
149.13257	3.5
155.08513	3.2
157.10123	6.8
159.11751	3.8
181.10132	2.8
183.61873	2.2
187.06036	28.2
187.14925	2.9
193.10109	3.5
194.05511	2.8
195.11696	4.9
197.13179	2.6
205.07065	11.5
207.11690	3.1
209.09497	2.5
209.13220	2.7
219.17474	2.3
225.16577	2.3
232.12415	3.3
233.13425	4.7
247.14827	7.8
251.14442	3.3
254.89168	2.4
263.18045	3.0
265.15909	2.9
267.81061	2.5
271.08102	3.9
302.16217	2.4
307.09683	8.7
307.13531	2.5
307.16937	11.1
307.20554	35.5
307.23795	3.6
308.10126	2.7
308.29254	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.3
55.01884	3.4
55.05515	4.5
57.03437	11.5
61.02932	5.4
67.05495	4.3
69.03430	49.2
69.07072	4.1
69.86936	2.1
71.04994	5.6
73.02917	4.9
79.05501	3.0
81.03426	42.8
81.03871	4.9
81.07056	8.4
85.02904	86.1
91.05489	3.4
93.07076	3.8
95.08635	4.0
97.02897	45.6
98.23377	5.5
99.04459	45.0
103.03952	65.3
105.07050	7.3
107.08597	5.8
109.02879	25.7
109.06519	4.7
119.08566	4.3
127.03915	100.0
131.08556	3.9
133.10222	2.5
135.08057	4.6
135.14806	2.4
137.05965	3.3
142.07788	2.8
144.14203	2.4
145.04955	24.0
152.73720	2.9
161.09549	3.3
167.31781	2.6
179.08519	3.3
181.92561	2.6
187.05992	27.5
193.10156	3.9
195.11638	5.9
197.13301	3.4
205.07050	12.9
206.10866	2.8
207.11826	3.8
208.02734	2.9
209.09610	2.7
209.13261	3.5
219.11909	3.3
221.13316	4.1
237.12708	4.4
247.15025	3.4
251.14381	4.0
265.15933	4.3
271.08218	2.9
307.06177	3.6
307.09506	5.1
307.16852	7.0
307.20474	40.5
308.21045	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	4.4
55.05519	2.7
57.03435	4.0
61.02926	4.2
62.94434	1.7
63.78522	1.8
65.03915	1.8
67.05514	5.6
69.03436	30.0
69.07074	4.4
69.64813	10.2
71.05004	6.0
72.58078	2.0
73.02911	1.7
81.03434	16.0
81.07066	6.3
83.01369	1.8
85.02908	100.0
85.98755	1.7
86.03195	2.4
88.92718	1.7
91.03941	2.7
91.05486	2.6
93.07058	4.6
95.08662	3.3
97.02895	30.7
99.04460	39.2
103.03941	63.8
105.07027	3.7
107.08602	4.6
109.02910	15.3
109.10172	2.1
127.03918	76.8
128.04222	2.1
131.08617	2.6
143.08525	2.0
145.04967	24.3
145.10190	2.7
147.11775	2.0
157.10139	2.7
161.09666	2.1
163.06049	4.8
165.06932	2.2
165.14905	2.1
167.08600	2.4
171.11877	1.7
179.08609	3.3
187.06052	8.4
193.10117	4.0
195.11687	2.5
201.12733	1.9
205.07129	6.1
207.11732	1.9
209.13338	3.2
221.13264	2.1
249.12674	2.0
251.14348	1.9
265.15936	3.2
271.08051	2.4
307.10089	3.6
307.17032	2.4
307.20370	30.0
308.21100	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.115
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12778	1.1
69.13178	4.6
70.83613	0.5
73.39008	0.5
78.33176	0.5
81.07067	0.5
93.07029	0.6
98.22591	1.0
105.07044	1.1
108.11467	0.5
130.06528	4.5
132.04449	0.9
132.36559	0.5
146.06021	1.0
157.07623	2.3
158.05966	3.4
161.58037	0.5
174.05589	0.6
175.08691	1.7
243.07684	0.7
261.08664	1.1
307.11505	100.0
308.11838	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.115
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12778	1.1
69.13178	4.6
70.83613	0.5
73.39008	0.5
78.33176	0.5
81.07067	0.5
93.07029	0.6
98.22591	1.0
105.07044	1.1
108.11467	0.5
130.06528	4.5
132.04449	0.9
132.36559	0.5
146.06021	1.0
157.07623	2.3
158.05966	3.4
161.58037	0.5
174.05589	0.6
175.08691	1.7
243.07684	0.7
261.08664	1.1
307.11505	100.0
308.11838	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1288
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
50.41964	0.3
51.02384	0.4
54.10976	0.2
55.01874	1.5
67.05499	0.6
69.01033	2.3
71.04990	0.3
75.18112	0.2
79.05486	0.7
85.02899	0.3
91.05489	0.5
93.07075	0.5
94.06546	0.6
95.04956	0.4
95.08614	0.3
96.04517	0.4
97.02914	0.4
98.06058	0.8
98.23363	0.6
106.06547	0.4
107.08585	1.2
108.04461	0.9
110.06065	0.5
112.07556	0.3
120.04472	0.4
121.06465	0.3
122.06042	2.3
123.04434	0.6
124.07565	0.8
129.06973	0.6
132.08055	0.5
133.06523	0.4
134.09683	0.4
135.08035	1.8
135.08965	0.3
136.07590	1.3
138.05510	0.5
140.07043	2.0
143.09991	0.3
144.08069	0.5
146.05988	0.5
146.09671	0.5
150.05531	0.6
150.09161	0.8
156.08084	0.6
158.09666	0.5
159.09109	0.5
160.07584	2.1
162.09167	0.6
163.08644	1.3
168.06548	2.2
170.09639	0.5
172.07582	0.6
173.07074	0.6
173.10846	0.6
174.09143	3.2
176.07129	0.6
176.10666	0.4
177.06664	0.4
177.10216	1.5
178.08636	15.0
179.08942	0.5
180.08008	0.3
182.08150	1.1
184.07588	2.1
186.07643	0.5
187.08701	1.2
188.07056	4.4
188.08867	0.3
188.10738	0.5
189.10193	0.4
190.08685	0.6
191.08101	1.1
198.09154	1.6
200.07167	0.3
201.06619	0.9
201.10260	3.2
202.08626	6.1
204.10197	0.5
205.09756	3.4
206.08211	2.3
206.10011	0.6
211.08669	0.5
212.07051	1.1
214.07318	0.4
215.07991	0.4
215.11797	0.5
216.10226	2.9
217.09825	0.7
219.07724	1.1
219.11247	5.2
220.09718	2.0
225.10329	0.5
226.08675	2.0
229.09735	5.9
230.08119	4.0
230.10188	0.5
234.09923	0.3
243.11223	2.1
244.09685	3.5
247.10789	11.8
248.09132	0.7
248.11372	0.5
254.08141	0.8
256.92163	0.3
261.12369	1.5
262.10699	1.7
265.11838	12.7
266.12125	0.8
271.10910	1.7
272.09097	1.6
289.11804	16.5
290.12531	0.7
307.12860	100.0
307.94440	0.3
308.13156	6.2
309.03748	0.3
311.42252	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.175
Annotation	Creoside II
Peak:m/z	Relative Intensity
52.09134	0.5
53.03939	2.3
55.01870	3.2
55.05511	2.7
57.03436	5.8
57.07078	11.9
61.02928	13.1
67.05502	7.1
69.03429	24.6
69.07057	2.3
69.22234	3.1
69.22639	1.0
71.04992	2.3
73.02923	3.4
73.06554	0.6
79.05482	1.1
81.03416	8.8
81.07061	6.0
83.01335	0.8
83.08626	4.7
85.02904	100.0
85.10182	4.3
86.03236	1.5
87.04459	3.1
87.06811	0.5
91.03956	7.8
91.05496	0.6
91.17399	0.6
93.07053	1.7
95.08614	4.7
97.02271	1.2
97.02895	23.7
97.06511	0.9
97.10143	0.9
98.92516	0.5
99.04460	6.2
103.03940	0.8
103.07612	0.7
105.07043	0.9
107.08620	1.6
109.02887	8.4
109.06506	0.8
109.10155	25.8
111.08102	0.8
115.03901	0.8
119.08582	1.5
121.10165	1.1
123.08141	0.6
123.11715	1.7
127.03915	24.7
127.11187	16.2
128.04242	0.6
131.08661	0.5
132.99297	0.5
133.10152	1.1
135.43120	0.5
138.99464	0.5
143.08600	0.6
145.04958	30.1
145.10196	1.0
145.12228	11.4
149.13319	0.6
150.99965	0.6
163.06026	3.0
199.12822	0.6
217.07944	0.5
256.93796	0.6
271.15555	1.7
289.16412	2.6
307.09723	1.3
307.15436	0.9
307.19205	0.7
307.26566	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1903
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
51.01156	2.8
53.03942	4.2
55.01863	11.0
55.05508	19.8
56.49464	2.6
56.66611	2.9
57.03438	29.9
57.07064	7.6
59.04988	4.3
61.02915	11.5
65.03944	4.9
67.05505	35.4
68.88537	3.6
69.03430	49.2
69.07068	29.5
70.46639	5.5
71.01353	7.2
71.04984	8.2
73.02906	13.4
79.05495	33.4
81.03417	26.7
81.07056	46.2
83.04990	22.0
83.08606	10.5
85.02899	25.3
85.06554	9.3
87.04478	3.2
91.05482	37.7
93.07044	59.0
95.04971	45.6
95.08610	58.4
97.02901	23.5
97.06526	8.8
97.10130	3.9
99.04443	17.7
99.08139	3.4
105.07032	66.8
107.04963	11.3
107.08590	72.2
109.02880	5.0
109.06520	35.2
109.10150	43.4
110.10460	3.7
111.04412	5.2
111.08063	8.5
113.06011	7.1
115.03928	10.6
115.05415	3.9
117.07016	20.2
119.04946	4.4
119.08582	77.0
121.06509	21.4
121.10144	52.3
123.04388	3.2
123.08076	18.0
123.11682	12.3
125.05985	14.8
125.09630	4.7
126.06486	3.1
128.06223	5.2
129.07002	12.8
130.07817	4.5
131.08578	35.3
132.08893	3.2
133.06487	6.2
133.10129	70.8
134.10474	3.7
135.08047	34.4
135.11690	64.0
137.05978	11.7
137.09616	16.9
139.07513	8.5
139.11148	3.7
141.07034	5.8
142.07799	8.8
143.08536	19.4
144.09331	6.2
145.06502	9.0
145.10110	43.4
147.08067	18.2
147.11693	26.5
149.09634	12.9
149.13300	6.2
151.07526	9.3
151.11172	4.9
153.09122	7.6
155.07047	6.0
155.08554	5.8
156.09331	5.8
157.10097	23.6
158.10913	7.6
159.08052	11.2
159.11710	35.4
161.09645	19.4
161.13232	17.3
163.03876	7.3
163.07562	9.2
163.11156	8.1
163.14822	6.6
167.07053	5.0
169.10095	13.6
170.10893	7.1
171.11682	14.6
173.09650	10.6
173.13258	45.6
175.11203	12.4
175.14835	41.2
177.09074	5.7
177.12755	10.1
177.16354	7.2
179.10626	6.9
181.10104	7.2
183.11754	7.2
185.04234	12.3
185.09534	3.2
185.13292	17.8
187.11211	7.6
187.14835	20.6
189.09129	13.3
189.12791	4.8
189.16423	6.6
191.10663	8.0
191.14349	16.0
193.15891	13.0
195.11781	3.3
195.13814	6.0
197.13255	5.4
199.14847	8.0
201.12682	4.8
201.16383	7.1
203.14305	10.4
205.12227	4.1
205.15924	3.4
207.10181	6.9
209.11571	4.2
209.15280	5.2
211.14822	8.5
213.12878	3.9
215.10535	3.9
215.14301	9.4
217.15858	14.1
219.17365	3.3
225.16275	4.3
227.14322	5.0
229.15897	17.0
233.11626	5.7
243.17470	7.9
243.81584	3.3
245.15451	7.6
247.16895	9.5
251.12833	6.2
253.15858	4.8
261.18591	7.8
263.16391	7.0
271.16849	14.1
289.18027	39.9
300.34927	3.0
307.08047	7.6
307.12805	13.9
307.19028	100.0
308.19348	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60428	3.0
53.03937	13.4
54.84561	3.3
55.01635	4.9
55.01876	55.1
55.05508	33.6
57.03428	9.1
58.70602	2.8
67.05507	61.6
69.03423	17.0
69.06732	3.9
69.07070	51.0
69.15931	31.0
71.04988	7.3
79.05490	61.2
81.03425	39.5
81.07057	74.1
83.04964	14.6
83.08615	13.6
85.02925	25.4
85.06567	5.7
91.04961	4.8
91.05480	47.0
93.07048	52.2
95.01300	5.4
95.04950	20.4
95.08607	37.9
97.02887	12.3
97.06531	100.0
97.10162	11.7
97.20860	3.1
98.22916	15.3
99.04429	14.0
103.03947	25.0
105.07034	60.1
107.04968	27.6
107.08591	33.4
109.02883	8.2
109.06515	15.2
109.10152	13.4
111.08080	4.5
117.07023	16.2
119.08585	32.3
121.06508	7.7
121.10136	16.1
123.08065	10.3
123.11639	4.0
125.09590	21.0
127.03910	27.4
131.08583	24.6
133.10130	35.8
134.10480	4.0
135.08063	13.0
135.11684	15.8
137.09596	6.9
139.07567	3.8
145.04958	7.5
145.10144	21.1
147.11691	18.6
149.09621	26.7
149.13287	6.6
151.11150	6.7
153.09117	5.4
157.10002	5.7
157.90691	3.8
159.11691	16.7
161.13228	6.8
163.11150	9.9
165.09090	6.2
169.10063	7.3
171.11728	7.9
173.13249	8.0
177.12772	14.1
179.14349	12.7
183.11690	6.3
187.11186	7.6
193.10033	3.7
203.12726	11.9
205.12198	3.9
207.11610	5.0
209.09669	3.5
214.20039	3.5
219.17468	12.9
223.11200	6.2
229.19427	4.6
243.77502	4.6
247.14728	6.9
247.20630	5.9
257.18927	11.2
270.39679	3.9
275.20087	73.9
292.16687	3.8
303.98602	3.6
307.16873	10.2
307.20322	12.7
307.22867	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.263
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
52.94207	0.4
53.03942	1.1
55.05510	14.5
57.03445	0.7
57.07077	4.0
59.15088	0.3
61.19064	0.4
62.35987	0.4
62.55418	0.4
65.03956	0.9
65.81129	0.3
67.05505	25.8
67.10801	0.4
69.03426	1.0
69.07067	17.5
69.15900	3.2
71.04996	1.5
71.08636	1.3
73.06523	0.6
79.05488	9.8
81.07055	100.0
82.07384	1.8
83.08620	7.8
85.06548	1.6
85.10194	0.5
89.55485	0.4
91.05494	1.8
93.07039	9.8
95.04970	0.9
95.08604	82.8
96.08936	1.7
97.06534	1.8
97.10173	7.4
99.08082	1.2
105.07021	3.3
107.08590	9.7
109.10154	42.4
110.10447	1.1
111.08080	2.0
111.11720	2.8
113.09619	0.4
117.07038	0.6
119.08588	3.1
121.10137	8.8
123.08041	0.6
123.11705	18.0
124.12080	1.0
125.09609	1.2
125.13239	0.8
131.08560	0.9
133.10136	2.6
135.11702	4.8
137.09618	0.9
137.13248	10.0
138.33333	0.4
139.11208	1.9
141.09064	0.6
145.10158	1.1
147.11665	1.8
149.09650	0.7
149.13243	4.0
151.11171	2.2
151.14813	13.2
155.10736	0.6
157.12325	0.5
159.11681	1.0
161.13231	2.0
163.11177	0.8
163.14832	2.8
165.12781	1.3
165.16386	1.1
167.14301	0.9
169.12192	1.0
173.13239	0.7
175.14879	1.4
177.12724	1.1
177.16362	1.6
179.14316	1.3
187.14819	0.9
189.16451	0.6
191.14360	0.6
191.17932	1.0
193.15872	1.2
195.13814	0.8
195.17517	0.7
201.16379	0.7
205.15895	0.9
205.19427	0.4
207.17339	0.6
209.15395	1.0
215.17975	1.3
219.17485	1.0
223.16907	1.1
223.60675	0.4
237.18503	3.7
251.20055	1.2
261.25806	0.5
269.10294	0.5
271.24191	1.8
273.73523	0.5
279.26840	0.7
289.25183	3.4
307.26294	18.0
308.26694	1.1
318.71295	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2632
Annotation	Crinitol
Peak:m/z	Relative Intensity
53.03956	2.1
55.05516	16.5
57.03421	1.2
57.07073	5.2
67.05509	31.7
68.05843	0.9
69.03416	1.7
69.07071	23.0
69.20106	6.7
69.44224	0.9
71.05006	1.8
71.08636	1.7
75.40786	0.8
79.05492	11.2
81.07061	100.0
82.07404	2.4
83.04977	1.1
83.08621	9.7
85.02918	1.0
85.06532	2.4
85.10165	1.1
91.05458	4.0
93.07049	16.1
95.04979	1.6
95.08610	98.0
96.08960	2.4
97.06537	1.7
97.10170	8.7
99.08105	1.7
105.07028	5.6
107.08586	17.0
109.06549	1.1
109.10160	54.2
110.10551	2.0
111.08087	3.2
111.11752	4.1
119.08595	3.1
121.10155	10.9
122.10513	1.0
123.08103	1.0
123.11715	22.4
125.09673	1.6
131.08557	2.1
133.10156	3.2
135.11707	6.2
137.09581	1.8
137.13264	9.2
139.11198	4.3
141.09065	0.8
145.10164	3.0
147.11699	1.9
149.13275	8.9
151.11183	2.7
151.14830	14.9
159.11707	3.0
161.13251	2.6
163.11218	1.1
163.14870	3.6
165.12756	1.3
165.16423	2.1
167.10645	0.9
167.14410	1.0
173.13264	1.6
175.14828	1.8
177.16412	2.2
179.14349	1.2
191.18118	1.0
195.13873	1.4
201.16470	1.2
209.15372	2.1
215.18077	2.1
219.17497	1.5
223.16859	1.3
233.19116	1.0
237.18497	3.8
251.20076	1.0
271.24240	1.4
279.26642	1.1
289.22046	1.1
289.25229	3.5
290.52188	0.9
307.15213	2.6
307.22736	2.6
307.26251	19.4
308.26425	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
57.03427	0.5
57.92174	0.3
61.02908	0.4
61.73008	0.2
65.03952	0.7
69.03434	7.3
69.99893	0.2
71.04980	0.6
81.03001	0.2
81.03429	3.7
85.02908	2.9
91.05486	10.2
97.02888	0.9
99.04459	0.6
101.59231	0.3
107.04962	0.4
109.02872	1.4
119.04951	24.5
120.05292	0.7
127.03936	2.8
129.05481	0.3
132.44363	0.2
137.90993	0.2
147.04414	100.0
148.04765	3.0
164.04623	0.2
165.05469	1.6
249.09172	0.3
281.11862	0.3
291.08575	3.2
309.10895	0.4
309.16727	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.1
53.75667	0.1
56.57282	0.1
56.75356	0.1
57.03436	0.2
61.02938	0.4
65.03923	1.0
65.04230	0.1
67.05510	0.1
69.03428	8.6
69.20824	0.6
70.03763	0.1
81.03416	1.7
85.02902	0.7
91.05477	11.3
92.05800	0.3
95.08641	0.2
97.02882	1.0
98.23347	0.2
99.04466	0.4
105.07009	0.1
107.04964	0.2
108.18813	0.1
109.02876	1.3
119.04941	26.5
119.69644	0.1
120.05273	0.7
127.03912	4.1
128.04208	0.1
147.04404	100.0
148.04744	3.0
157.06512	0.2
165.05453	1.0
187.07530	0.1
213.05302	0.1
231.06519	0.2
235.07318	0.1
249.09172	0.1
277.08673	0.2
291.08569	1.8
309.10028	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01879	0.2
55.05492	0.2
57.03444	0.5
61.02930	0.2
65.03944	0.6
66.91076	0.1
69.03429	7.2
70.75297	0.3
71.04992	0.5
81.03415	6.7
85.02903	1.9
91.05478	9.4
92.05805	0.3
97.02895	0.9
99.04459	0.8
109.02879	2.6
119.04942	24.3
120.05290	0.6
127.03917	3.4
127.04787	0.3
147.04405	100.0
148.04739	2.7
157.06435	0.1
165.05505	2.5
291.08615	6.1
292.08862	0.3
297.21457	0.2
309.09607	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
54.94233	0.2
55.01859	0.4
56.25734	0.2
57.03423	0.7
61.02913	0.5
65.03938	0.7
69.03430	6.5
71.04978	0.8
71.30032	0.2
73.02911	0.3
75.04470	0.3
81.03416	9.6
83.04991	0.3
85.02422	0.4
85.02908	5.2
91.05480	9.7
92.05811	0.5
95.04951	0.4
97.02882	1.1
99.04446	0.9
99.58329	0.2
107.04926	0.4
109.02879	4.2
110.33532	0.2
119.04943	24.7
120.05268	0.7
122.51510	0.2
127.03919	2.2
128.09901	0.2
129.05487	0.2
136.77901	0.2
140.58498	0.2
145.04947	0.2
147.04405	100.0
148.04745	3.2
162.33414	0.2
163.59196	0.2
165.05499	3.0
234.06747	0.2
235.07663	0.3
277.08606	0.5
291.08627	7.4
291.11887	0.4
292.08972	0.3
309.10526	0.7
309.16861	0.7
319.32330	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1543
Annotation	NSC-224070
Peak:m/z	Relative Intensity
53.03934	2.4
55.01864	2.3
55.05510	6.7
56.93126	0.7
57.03437	4.5
59.04990	1.3
61.02930	5.6
65.03923	1.4
65.72646	0.6
67.05466	0.7
69.03432	18.6
69.07052	1.6
71.04994	3.5
71.29899	0.8
73.02911	2.7
75.04471	0.8
79.05479	0.8
81.03416	10.9
81.07078	0.9
83.04989	1.0
83.08616	15.0
85.02905	63.1
86.03223	1.0
87.04453	1.5
91.03956	2.7
91.05472	10.9
93.07036	1.1
95.04991	1.1
95.08594	1.0
97.02888	12.4
99.04455	3.0
101.09676	8.1
105.07025	1.4
109.02882	6.4
109.10191	0.8
115.03948	1.2
115.05466	0.7
119.04948	25.4
125.46613	0.6
127.03915	14.3
129.07076	0.9
135.08040	1.1
145.04948	9.9
145.06046	0.9
145.06583	0.8
146.61288	0.8
147.04407	100.0
148.04742	3.0
151.07516	1.0
159.07910	0.7
163.06000	1.4
163.07430	0.7
165.05495	2.1
165.09119	0.8
171.08052	0.7
173.06073	1.1
175.07538	1.5
191.06972	1.3
193.08662	0.8
204.44194	0.8
219.10147	0.7
229.08670	0.8
263.06943	1.1
291.08664	5.0
309.07611	1.2
309.10925	2.0
309.13763	1.4
309.16998	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56747	0.3
55.01868	0.4
55.05507	3.9
57.07076	0.4
67.05499	1.8
69.03423	0.4
69.07067	3.8
70.21626	0.6
70.22020	0.6
71.04988	0.4
79.05484	1.0
81.07063	3.5
83.08604	0.8
83.99728	0.3
85.02903	0.9
85.06572	0.4
91.05476	0.9
93.07047	1.7
94.44729	0.3
95.04944	0.7
95.08588	2.4
97.06533	0.9
97.10170	6.3
97.99105	0.4
98.98464	1.6
99.08089	0.4
105.07020	0.8
107.08588	1.3
109.06503	0.6
109.10160	1.5
111.11728	1.0
119.04908	0.5
119.08610	0.7
121.10124	0.8
121.31123	0.3
123.08054	0.5
123.11653	0.6
125.09641	1.4
127.03882	0.3
129.05402	0.3
133.10156	0.4
135.11710	0.7
137.09645	0.3
137.13251	0.5
139.11179	0.4
143.08617	0.5
143.10632	2.0
145.10124	0.4
147.04437	1.1
149.13235	0.5
189.11115	0.6
233.99373	0.3
241.22800	0.3
249.09114	0.3
273.18445	0.3
274.57797	0.3
277.08496	0.6
291.15857	0.3
291.23087	0.7
291.26340	0.4
309.16699	100.0
310.17099	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
52.49762	1.6
53.03938	7.8
55.01873	19.1
55.05270	3.4
55.05510	40.7
57.03441	5.1
57.07074	2.2
59.04987	2.1
65.03931	3.5
66.08192	1.6
67.05505	83.4
69.03434	6.1
69.07063	27.7
71.04996	7.8
71.31518	2.1
79.05493	51.0
81.03432	4.2
81.07056	88.6
83.01330	5.8
83.04980	18.6
83.08626	13.4
85.02894	4.2
85.06557	9.4
91.05482	55.2
93.07043	56.0
95.04971	16.1
95.08609	48.5
97.06535	8.4
97.10160	2.9
99.04449	4.9
103.05479	2.4
105.04550	2.4
105.07030	57.5
107.04964	14.3
107.08595	43.7
109.06524	13.9
109.09445	3.8
109.10158	60.3
111.04439	8.4
111.08064	11.4
113.05997	4.3
117.07040	10.2
119.08576	16.5
121.06513	15.5
121.10149	11.6
123.04397	4.9
123.08100	7.3
123.11718	10.4
125.05963	2.6
125.09618	4.3
127.07562	3.4
128.06203	3.8
129.07002	8.3
131.08563	15.4
133.06511	10.1
133.10132	77.7
134.10423	3.9
135.08057	7.1
135.11702	8.3
137.05995	4.4
137.09624	7.0
139.07553	6.0
141.06990	2.0
143.08580	7.1
145.06488	1.9
145.10146	13.9
147.08061	9.5
147.11717	7.3
149.09636	8.8
149.13226	2.6
151.07562	2.8
151.11176	47.6
152.06219	5.5
153.07024	5.3
155.08553	2.2
157.10135	4.7
159.11673	6.3
161.09662	15.2
161.10817	2.4
161.13297	4.5
163.11226	3.5
165.07043	7.9
165.09123	5.3
167.08553	6.4
167.10648	4.8
169.06516	2.1
169.10188	3.1
169.12231	7.3
171.08154	2.9
171.11726	6.4
173.09608	2.4
173.13290	2.2
175.11169	6.8
177.06984	3.0
177.09117	4.1
177.12831	3.1
178.07800	4.7
179.08531	3.2
179.10680	7.0
180.05685	2.5
181.06508	5.1
181.08565	4.4
181.09993	2.5
181.12268	4.0
182.07181	2.0
185.13293	3.4
189.12778	3.0
191.08514	3.5
193.10075	2.4
193.12224	2.1
195.08102	13.5
199.11191	2.7
203.14279	5.4
205.06487	3.5
206.07338	2.6
207.07996	4.6
207.13824	4.2
208.05200	7.3
208.08672	3.7
209.05968	8.5
209.09642	2.6
210.06786	4.1
211.07397	2.1
212.04669	2.6
213.12679	2.4
215.12820	3.3
217.12241	4.4
219.08035	3.0
220.08818	2.0
221.05963	7.3
221.09619	3.4
222.06683	3.1
223.04076	2.1
223.07579	23.3
224.08009	2.7
227.17932	2.8
233.05931	5.6
234.06757	6.1
235.07576	7.4
236.04626	5.3
236.08293	5.1
237.05487	8.1
237.09050	3.8
238.06248	21.8
238.09875	3.8
239.07005	5.6
245.18965	17.7
247.07433	3.2
248.08406	4.5
249.05548	6.1
249.09042	12.3
250.06288	6.1
250.09889	2.8
251.03360	3.9
251.06998	20.5
251.10750	3.5
252.04106	6.3
252.07735	2.6
253.04955	2.3
253.08582	4.9
253.12271	3.1
255.17366	3.7
262.06393	2.6
263.07053	14.5
263.20032	17.9
263.22626	2.8
264.04346	3.4
264.07632	6.1
265.04941	15.6
265.08466	6.3
266.05710	41.0
266.09232	8.4
267.03134	3.0
267.06482	15.4
273.18488	43.2
276.07593	2.2
277.05179	2.9
277.08575	10.7
278.05820	4.2
278.09399	5.5
279.06476	22.7
279.09869	5.8
280.03656	6.9
280.06934	4.6
281.04446	6.0
281.08041	14.5
281.11655	6.5
291.06522	9.8
291.19543	91.9
292.19928	4.2
293.04501	7.4
293.07898	2.8
294.05194	38.7
294.08740	15.0
295.05988	16.1
295.09195	3.2
308.06717	2.3
309.03885	9.3
309.07504	100.0
309.11148	84.9
309.14880	7.0
309.20563	22.1
310.04822	4.1
310.08319	62.0
310.11646	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.76307	1.8
53.03936	6.0
53.17476	1.8
54.77798	1.8
55.01875	17.8
55.05513	67.7
56.57756	1.8
57.03436	7.8
59.05012	2.2
60.09905	1.7
65.03945	3.5
67.05505	49.5
69.03437	10.0
69.06721	3.3
69.07067	35.3
71.04982	5.8
79.05062	3.6
79.05498	56.6
81.03431	21.2
81.07058	100.0
83.04977	20.7
83.08617	31.5
85.02898	3.2
85.06519	3.7
91.05476	22.0
93.07040	40.7
95.04967	20.8
95.08601	31.9
95.76843	2.0
97.06523	14.0
97.10171	45.2
99.04453	2.2
99.08036	4.4
103.05480	2.9
104.88473	2.2
105.07030	27.6
107.04955	8.3
107.08591	27.3
108.36767	2.1
109.06528	17.0
109.10140	14.9
111.04446	18.3
111.08074	11.6
115.05424	2.1
117.06992	11.3
117.09178	1.9
119.04922	2.6
119.08570	21.2
121.06509	5.8
121.10136	13.5
123.04424	2.4
123.08080	40.6
125.09643	37.9
128.06187	3.2
129.07001	7.1
131.08549	10.4
133.06473	4.3
133.10112	10.1
135.08041	8.1
135.11636	9.4
137.09637	12.7
139.11151	2.9
143.08565	7.0
143.10655	3.5
145.10141	11.7
146.60150	2.0
147.08054	8.2
147.11682	7.8
149.09627	5.8
149.13263	2.5
151.11153	2.4
153.09100	4.9
153.12733	6.8
155.08571	4.8
157.10112	6.2
159.08054	2.6
159.11702	5.4
161.09642	3.9
163.11194	29.2
165.09114	13.8
167.10678	2.1
169.10120	2.1
171.08009	6.5
171.11667	3.8
173.09605	2.8
175.11176	7.3
178.07788	2.1
181.12222	7.4
189.11229	28.0
189.12811	2.2
191.08504	1.9
191.10635	3.4
193.10425	3.0
193.12239	17.3
205.10080	2.2
206.07465	2.1
211.13229	4.8
217.15840	2.1
219.07932	2.0
223.13312	4.9
227.12868	4.7
227.17995	4.1
229.85855	2.5
237.12836	2.2
240.18866	1.9
245.19003	4.8
249.14975	2.9
249.18446	2.3
253.07190	2.1
263.14420	2.7
263.20178	2.6
265.12247	2.6
273.18466	22.6
277.08575	4.8
281.11636	2.1
291.19543	77.3
292.19800	5.2
309.11148	9.9
309.14798	8.5
309.20523	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03930	4.4
55.01867	17.8
55.05518	28.4
57.03429	7.4
67.05504	32.4
69.03426	5.4
69.07063	10.1
71.04995	6.4
71.29080	3.5
79.05499	44.5
81.03398	5.7
81.07057	86.9
83.04977	28.3
83.08613	14.9
85.02916	8.4
85.06512	6.5
86.09679	2.8
91.05470	27.5
93.07048	33.7
95.04971	22.1
95.08603	17.5
97.06535	9.6
97.10153	13.9
99.04483	4.4
104.77407	2.7
105.07024	21.4
107.04942	9.5
107.08601	26.0
108.28300	3.1
108.97256	2.7
109.06530	14.5
109.10178	14.4
111.04440	43.1
111.08071	14.5
113.06000	8.7
117.06996	19.5
119.08576	36.5
121.06499	11.3
121.10152	18.5
123.08084	9.8
125.09629	13.5
129.06998	8.5
130.07716	3.0
131.08551	14.8
133.06485	3.6
133.10132	9.7
135.08076	10.7
135.11688	13.2
136.34084	2.9
137.09631	6.7
137.91205	3.1
143.08533	8.2
145.06456	3.0
145.10133	23.9
147.08025	11.2
147.11694	4.9
149.09633	11.2
153.12752	15.0
155.08467	4.2
157.10146	10.4
159.08072	4.1
159.11737	5.9
161.09619	6.7
163.11201	22.1
165.07117	3.0
165.09026	7.8
169.10219	4.5
173.09586	4.4
173.13344	2.9
175.11140	2.7
181.12256	22.3
183.11731	3.3
189.11203	7.0
191.10678	15.8
193.10149	4.3
195.08096	7.0
195.11539	3.3
207.11757	4.9
209.11641	4.6
221.13098	2.9
223.07646	3.9
223.13263	6.8
227.12753	7.9
228.54173	2.7
231.13818	2.5
236.04652	5.2
237.05286	3.1
238.06256	4.8
248.04857	3.3
249.05463	9.5
249.14862	9.9
251.07030	5.2
255.17320	6.2
259.40747	2.5
265.04919	4.6
266.05533	5.2
267.06372	5.2
273.18503	31.1
277.04916	6.4
279.06558	4.4
291.19553	100.0
292.19907	7.7
293.04233	13.3
294.04956	6.9
294.08557	2.9
309.07620	66.9
309.11182	6.6
309.18497	17.5
309.21960	5.2
310.08337	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.48763	3.0
53.03940	7.6
55.01873	19.9
55.05503	28.8
57.03439	5.3
57.07061	4.9
59.29704	3.7
67.05502	71.4
69.03424	6.4
69.07074	28.1
71.04982	14.1
71.32357	3.9
75.49382	3.8
79.05491	52.9
81.03422	6.3
81.07053	100.0
83.04977	18.8
83.08614	10.3
85.06553	9.3
91.05483	61.7
93.07043	55.1
95.04963	13.5
95.08591	36.5
97.06542	10.0
97.10179	4.1
98.56493	3.4
99.04451	4.8
102.17735	3.2
105.07028	54.7
107.04980	9.7
107.08599	48.3
109.06523	15.1
109.10156	83.6
109.70157	3.5
111.04392	4.3
111.08068	7.2
113.05977	3.5
113.49115	3.7
117.07045	4.8
119.08591	19.5
121.06521	7.4
121.10141	11.9
123.08076	10.8
123.11726	10.5
125.09626	6.0
127.07545	6.1
129.06995	5.4
131.08551	7.1
133.06516	9.4
133.10117	95.0
134.10460	5.3
135.08061	8.7
135.11681	9.3
137.09593	6.4
137.45244	3.5
143.08537	7.3
145.10144	6.9
147.08075	7.6
147.11710	5.4
149.09616	9.6
151.11182	55.0
161.09630	9.9
164.63930	3.5
169.10104	3.9
169.12254	12.7
175.11234	5.6
185.13280	4.1
195.11653	4.5
214.19917	3.4
215.12904	5.1
238.75533	3.4
245.18935	9.2
251.07014	4.3
255.17653	3.5
263.10315	3.2
263.20123	14.2
266.05881	4.8
272.12244	3.5
273.18518	28.9
281.07950	3.7
291.19507	55.9
291.22656	5.3
295.09634	6.4
309.07520	13.8
309.11194	11.9
309.14795	14.1
309.20691	19.4
310.11819	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2211
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03936	1.4
55.01863	2.3
55.05518	6.3
57.03431	0.7
57.07068	1.7
59.12921	0.7
63.05577	0.7
67.05509	11.3
69.02840	4.4
69.03240	2.0
69.07064	5.2
79.05495	9.7
81.03408	0.9
81.06577	1.2
81.07056	18.4
83.04981	1.9
83.08607	3.0
91.05480	10.1
93.07050	15.5
95.04970	2.6
95.08604	19.4
97.06541	2.5
103.05477	0.8
105.07029	12.9
107.04955	1.9
107.08592	10.1
109.06514	2.4
109.10170	8.1
111.08074	1.5
115.05434	1.4
117.07031	3.9
119.08581	11.4
121.06503	3.5
121.10119	6.0
123.08066	2.5
123.11713	1.7
128.06206	3.5
129.07005	5.9
130.07729	0.9
131.08582	12.8
133.06451	1.5
133.10135	8.7
135.08054	6.3
135.11722	3.3
137.09660	1.1
141.06949	3.7
142.07799	4.4
143.08574	13.6
144.09299	1.4
145.06502	2.0
145.10118	13.2
147.08022	3.4
147.11699	6.0
149.09604	2.2
149.13208	1.5
153.07019	2.1
154.07794	1.3
155.08549	9.8
156.09319	4.2
157.06425	5.4
157.10143	11.3
158.07274	1.7
158.10936	1.4
159.08057	5.7
159.11687	11.6
160.12137	0.8
161.09650	2.8
161.13239	3.0
163.11168	1.2
165.07011	2.7
166.07822	1.1
167.08565	5.9
168.09360	2.4
169.10127	9.9
170.07222	1.0
170.10881	2.4
171.08058	15.7
171.11670	12.0
172.08688	1.6
172.12433	0.9
173.09601	6.3
173.13261	8.8
175.11159	2.7
178.07860	1.6
179.08574	5.2
180.09346	2.1
181.06567	1.1
181.10107	5.3
182.10875	1.5
183.08066	3.2
183.11671	6.6
184.08784	1.3
185.09624	7.9
185.13237	8.3
186.10406	1.0
186.13678	1.4
187.11194	5.2
187.14813	4.3
189.12740	1.9
192.09326	2.2
193.10129	7.3
194.10857	1.7
195.08075	1.3
195.11705	7.2
196.12370	1.9
197.09668	4.3
197.13237	6.0
198.10362	2.3
199.11163	15.6
199.14850	4.6
200.11797	0.9
201.12753	5.0
203.10553	1.0
203.14725	0.8
205.10159	2.2
206.10825	2.6
207.11668	6.5
208.12375	0.9
209.13307	5.3
209.14993	0.8
210.13977	1.7
211.11195	3.4
211.14798	5.7
213.12759	18.0
213.16072	1.4
214.13290	1.8
215.14400	5.8
219.11671	2.4
220.12447	2.4
221.13231	4.0
223.11232	1.0
223.14813	3.4
225.12744	2.9
225.16359	2.8
227.14346	5.4
227.17937	1.5
229.15932	2.7
233.13242	2.6
234.14110	1.4
235.14871	6.8
236.15320	0.9
237.16350	1.8
239.14304	4.4
239.17958	1.9
241.15868	1.4
248.15669	1.7
249.16394	10.4
251.14386	1.9
251.17964	2.3
253.15958	5.6
253.19531	0.8
263.17926	2.1
265.19513	2.4
266.16718	1.0
267.17413	13.1
267.20935	1.8
268.17731	1.1
281.19333	1.3
281.22562	7.3
287.87396	0.8
291.21078	18.1
292.21323	1.4
309.10980	2.2
309.18655	5.8
309.22092	100.0
310.22382	7.9
328.82730	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2423
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03937	0.9
55.01873	0.7
55.05511	47.7
56.05846	0.8
57.03443	1.8
57.07079	2.2
57.70288	0.4
58.60170	0.3
59.04995	0.8
65.03932	0.4
67.05504	6.8
68.85368	0.3
69.03431	1.3
69.07066	18.8
71.05002	1.1
71.08640	0.6
73.06554	0.4
79.05498	3.7
81.03410	0.5
81.07056	14.2
83.04987	1.2
83.08623	4.7
84.85686	0.4
85.02917	0.9
85.06548	1.5
86.57197	0.3
87.04465	0.4
87.08125	1.0
91.05489	2.4
92.26952	0.4
93.07042	7.1
95.04971	1.4
95.08607	14.5
97.06548	2.6
97.10167	100.0
98.10503	2.5
98.98475	3.1
99.04440	0.6
99.08061	0.7
100.28069	0.3
105.07030	2.9
107.08595	6.2
109.06523	1.2
109.10156	8.1
111.08096	1.2
111.11730	1.3
113.09632	0.4
117.06960	0.4
119.04932	0.8
119.08576	4.0
121.06588	0.3
121.10148	4.5
123.08083	3.4
123.11711	5.3
125.09628	21.5
126.09962	1.0
127.11256	0.4
133.10144	1.6
135.08058	0.6
135.11700	2.4
137.09633	1.5
137.13271	1.6
139.11205	1.4
141.09105	1.2
143.10670	45.5
144.11058	1.3
145.10132	0.7
147.04422	3.1
147.08022	0.7
147.11696	2.1
149.09630	0.4
149.13243	2.6
151.07535	1.2
151.11201	0.6
151.14830	1.0
153.09166	0.6
153.12744	1.1
157.12184	0.4
161.09634	1.3
161.13275	1.5
163.11157	0.4
163.14906	0.7
165.09157	0.8
165.12764	1.3
167.14313	0.4
171.10193	5.1
175.14851	1.5
177.16371	0.6
179.10603	0.8
189.11208	8.5
189.12837	0.7
189.16386	1.0
193.15900	2.0
195.13799	0.4
203.18060	0.6
217.15829	0.5
221.09700	0.5
235.16866	0.6
245.22754	1.0
249.09157	1.0
263.23639	2.0
267.09866	0.4
273.19058	0.5
273.21802	1.7
277.08612	0.8
286.10495	0.8
291.19659	1.1
291.23203	5.3
291.26477	0.7
309.07764	0.8
309.11301	2.0
309.21054	0.7
309.24261	14.7
309.27740	1.1
310.11646	0.4
310.24518	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
53.31245	2.4
55.05514	17.7
57.03435	3.1
57.07075	5.4
57.57506	3.0
59.04972	2.9
61.27728	2.6
67.05178	4.1
67.05506	51.1
69.07071	17.7
71.04988	4.1
71.08635	55.4
72.04523	4.2
79.05499	47.7
81.03403	6.6
81.07057	49.7
83.04991	15.8
83.08615	13.8
91.05477	29.4
93.07048	71.6
95.04971	10.9
95.08610	38.6
97.06519	10.8
97.10176	6.4
98.22617	5.4
99.08099	47.0
99.48817	2.3
101.34097	2.4
105.07018	21.7
107.04954	8.3
107.08588	28.1
109.06516	5.0
109.10160	13.9
111.08038	2.9
113.09676	3.2
117.07014	4.5
119.08572	15.9
121.10162	25.0
127.11209	2.8
131.08575	6.3
133.10115	12.6
135.11703	33.2
137.09572	4.5
139.11166	3.8
141.09073	3.0
143.08556	4.0
145.10118	5.8
147.11726	5.4
149.13254	9.8
151.11174	18.9
159.56897	2.3
161.13271	9.8
163.11198	7.2
170.63029	3.0
171.11734	3.5
175.14821	3.5
177.12709	2.7
179.14313	100.0
180.14680	5.2
189.12769	4.9
229.37920	2.4
235.16910	4.5
259.20560	5.2
277.21643	40.7
309.11069	7.7
309.14520	2.8
309.21869	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2787
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03941	2.6
55.01866	3.2
55.05515	33.9
57.03440	7.7
57.07070	11.2
59.04993	4.3
65.03939	2.7
67.05505	29.7
69.03420	5.9
69.07068	100.0
69.51305	1.2
71.04987	4.9
71.08625	4.6
71.30350	1.8
73.06550	4.4
79.05484	13.5
81.07054	80.0
82.07401	1.5
83.04990	5.8
83.08618	34.0
85.02876	6.9
85.06535	10.4
85.10185	2.9
87.85783	1.2
91.05465	8.5
93.07044	35.3
94.04097	1.2
95.04970	4.0
95.08606	84.4
95.54793	1.2
97.06519	13.8
97.10175	8.3
99.08081	4.7
101.95727	1.3
105.07024	10.3
107.08591	39.3
109.06528	4.0
109.10154	37.5
111.08086	21.7
111.11713	22.1
115.07581	1.9
119.08568	6.4
121.10150	18.3
123.08072	2.9
123.11709	38.2
125.09629	4.9
125.13271	3.9
127.03928	1.6
127.11177	1.3
129.12747	1.5
131.08556	1.4
133.10153	3.7
135.11708	21.5
137.13266	10.7
139.11201	3.2
147.04442	5.1
147.11713	5.8
149.13249	27.1
151.11212	1.8
151.14857	2.3
153.12746	26.5
157.10143	1.4
161.13306	3.1
163.11201	1.9
163.14859	6.9
165.12814	2.5
167.14345	6.1
171.13832	2.7
177.16426	3.7
179.14195	1.2
179.18245	1.6
181.63139	1.4
189.06941	1.5
221.09537	1.7
234.06830	1.6
249.09120	3.6
266.09088	1.3
276.67963	1.4
277.08640	3.9
291.19702	1.5
291.26770	9.3
294.08560	1.3
309.11203	3.6
309.24387	3.0
309.27811	28.3
310.28445	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53901	4.1
50.88548	4.3
53.26155	3.7
57.07057	7.3
58.12474	3.9
61.02906	8.0
67.05493	18.3
69.03417	12.3
69.64881	22.6
70.06581	7.9
71.04990	37.8
73.45761	4.0
85.02901	60.1
85.06524	6.9
93.07053	4.5
95.04964	23.5
97.02876	13.6
109.02840	5.6
113.05994	81.7
127.03896	14.0
131.07031	100.0
145.04913	17.8
147.04417	6.6
149.02133	7.4
149.05942	6.5
162.61713	4.3
294.97345	5.0
298.05737	4.8
311.07343	21.7
311.11151	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57312	0.4
67.90277	0.4
69.03422	0.5
69.22906	0.8
69.23310	1.8
80.51133	0.4
98.23318	0.8
136.38388	0.4
136.54446	0.4
139.59300	0.4
149.02100	25.8
167.01830	0.5
182.45280	0.4
185.02917	0.9
185.04254	7.8
311.07367	100.0
312.07706	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0914
Annotation	Ocophyllal A
Peak:m/z	Relative Intensity
53.92861	0.2
55.01863	0.6
55.05508	0.4
57.07063	0.5
67.05478	0.3
68.99811	0.3
69.07045	0.8
69.80480	1.1
81.07028	0.4
83.08609	0.5
85.02882	0.4
91.05455	0.2
95.08567	0.3
97.10150	0.2
98.22826	0.5
115.05466	0.7
128.06161	1.1
129.07007	0.5
130.07837	0.3
136.36003	0.3
139.05377	1.6
140.06209	0.6
141.06979	1.7
142.07698	0.3
143.04884	0.5
143.08595	0.6
146.07216	0.2
147.04375	0.3
151.05450	0.2
152.06187	4.8
153.06981	4.0
154.07767	4.6
155.04926	0.5
155.08537	1.5
156.05658	0.4
157.06558	0.3
158.07213	0.6
159.11717	0.2
161.05847	0.2
163.05496	0.3
164.06235	0.4
165.06990	14.8
166.07771	4.7
167.04903	2.0
167.08563	6.1
168.05659	1.0
168.08936	0.4
169.06467	3.9
169.10114	1.5
170.07274	2.3
171.04488	1.4
171.08005	0.8
171.11656	0.4
174.06680	0.4
176.06190	0.5
177.07002	0.9
178.07793	1.9
179.08559	5.0
180.05656	1.7
181.05067	0.2
181.06462	6.7
182.07260	34.9
183.07912	3.0
184.05315	0.3
184.08842	2.6
185.05905	0.5
185.09592	0.8
186.06665	0.2
189.07039	0.3
192.05757	1.7
193.06438	2.4
194.07245	2.7
195.04358	2.1
195.08049	9.2
196.05125	0.5
196.08804	2.0
197.02287	0.6
197.05971	8.0
197.09607	16.6
198.06718	2.5
198.09962	0.9
199.03873	2.0
199.07498	3.7
199.11198	0.5
205.06438	0.5
206.07315	0.5
207.04439	0.3
207.08000	3.5
208.05190	2.3
208.08662	0.2
209.05972	5.1
209.09544	0.8
209.11707	0.6
210.06746	40.6
211.07455	7.6
212.04726	0.4
212.08301	6.6
213.05475	4.0
213.08900	1.2
214.06206	1.4
220.05168	1.9
221.05983	2.3
222.06741	3.7
223.03983	5.0
223.07507	11.0
224.04642	0.7
224.08281	4.6
225.05666	13.3
225.09076	63.5
226.06175	5.4
226.09441	3.9
227.07022	2.2
227.10664	0.7
227.88425	0.3
235.03836	0.3
235.07495	4.1
236.04678	1.4
236.08145	0.4
237.05446	5.0
237.09119	1.0
237.11060	0.4
238.06233	27.0
239.06969	9.2
240.07797	25.5
241.04939	1.9
241.08467	3.9
242.05627	0.6
244.07263	0.5
249.05316	1.2
250.06255	2.6
251.03407	0.7
251.07010	10.0
252.04175	0.7
252.07780	8.3
253.04951	13.2
253.08571	45.8
254.05566	1.4
254.09074	3.8
255.06421	0.5
255.10144	9.5
256.07251	1.2
256.10318	0.5
259.05899	0.2
263.08075	0.3
265.04929	6.0
265.08508	1.0
266.05716	13.9
267.06461	6.7
268.07285	19.3
269.04379	0.7
269.07831	2.6
270.05017	0.4
278.05655	0.3
279.06476	3.1
280.04138	0.2
280.07254	4.6
281.04651	4.7
281.08051	88.6
282.05188	0.3
282.08447	7.0
283.06393	0.6
283.09616	17.1
284.06763	1.1
284.09985	1.4
285.07538	0.6
293.07858	0.5
294.08704	0.4
295.06033	2.8
296.06757	13.8
297.07501	7.4
300.06183	0.3
310.08212	0.4
311.09103	100.0
312.09628	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0913
Annotation	Ocophyllal A
Peak:m/z	Relative Intensity
52.71730	0.2
55.01867	0.4
55.05491	0.4
57.07056	1.0
62.16605	0.3
64.64527	0.2
67.05489	0.4
69.07056	0.5
71.32885	0.3
72.08147	0.4
81.07044	0.4
83.08619	0.3
85.02863	0.3
88.78083	0.2
95.08575	0.4
107.08579	0.2
111.04415	0.5
115.05431	0.7
117.33604	0.2
121.10148	0.4
128.06212	0.5
129.06970	0.6
133.10146	0.3
135.04491	0.6
139.05341	1.6
140.06210	0.3
141.06981	1.3
142.07803	0.3
143.04910	0.7
152.06192	3.4
153.05649	0.4
153.06973	3.6
154.07780	3.8
155.04919	0.6
155.08490	1.2
157.06451	0.3
158.07211	0.6
165.06995	12.9
166.07785	3.5
167.04916	1.2
167.08560	4.6
168.05666	0.9
169.06496	2.6
169.10104	1.0
170.07297	1.8
171.04442	1.4
171.08012	0.6
176.06134	0.3
177.06964	0.6
177.22675	0.3
178.07751	1.4
179.04938	0.5
179.08566	5.4
180.05667	1.4
180.08971	0.3
181.04942	0.7
181.06451	6.4
182.07271	29.9
183.04448	0.2
183.07854	2.0
184.05133	0.4
184.08788	1.9
185.05934	0.6
185.09560	0.7
186.06837	0.3
191.10651	0.4
192.05698	1.0
193.06442	2.5
194.07262	2.4
195.04349	2.1
195.08047	6.9
196.05078	0.3
196.08812	2.3
197.05974	5.7
197.09610	15.1
198.06706	1.8
198.09866	0.5
199.03949	1.6
199.07550	3.3
202.06218	0.6
205.06400	0.5
207.08047	3.1
208.05196	1.7
209.05954	3.8
209.09613	0.8
209.11732	3.0
210.06752	36.9
211.07437	5.4
212.08308	5.8
213.05470	2.8
213.09021	1.1
214.06230	0.8
220.05170	1.4
221.05951	2.1
222.06744	4.3
223.03946	3.9
223.07504	7.2
224.04630	0.8
224.08276	3.4
225.05719	9.8
225.09087	58.6
226.06216	3.0
226.09462	3.1
227.06982	1.4
227.10670	0.6
235.07500	3.8
236.04684	1.1
236.08028	0.4
237.05463	4.4
237.09076	0.6
237.11198	2.9
238.06232	24.5
239.06981	7.1
240.07797	21.1
241.05016	1.6
241.08534	3.2
242.05565	0.6
244.07350	0.4
249.05399	0.7
250.06248	2.3
251.03520	0.7
251.07022	7.6
252.04076	0.4
252.05060	0.4
252.07788	5.9
253.04973	9.2
253.08583	45.8
254.05576	1.1
254.09058	3.8
255.06587	0.8
255.10135	7.7
255.12355	0.5
256.07239	1.3
256.10193	0.5
259.06107	0.6
263.08215	0.3
265.04947	4.7
265.08484	1.0
266.05731	13.3
267.06464	5.7
268.07294	15.8
269.04431	0.8
269.07858	2.3
278.05658	0.7
279.06561	2.4
280.07300	4.3
281.08066	100.0
282.05304	0.3
282.08456	7.2
283.06424	0.7
283.09622	14.9
284.06750	1.8
284.10046	1.2
285.07526	0.4
293.07962	0.9
295.06052	2.0
296.06787	10.1
297.07486	6.5
299.09036	0.5
311.09113	94.3
312.09647	11.6
312.15381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1125
Annotation	trans-Cinnamoyl beta-D-glucoside
Peak:m/z	Relative Intensity
51.02380	0.4
53.03946	1.2
57.03436	0.4
60.59100	0.2
61.02923	0.8
69.03426	1.7
69.24267	1.7
71.04997	0.4
71.91812	0.2
73.02920	0.5
77.03941	0.9
77.52255	0.2
79.05494	7.1
81.03407	0.4
85.02906	5.7
91.05477	0.4
95.04961	1.2
97.02896	1.6
101.23177	0.2
102.04707	0.2
103.05469	32.4
104.05785	1.1
105.04521	0.7
105.07037	0.6
107.04955	17.6
108.05296	0.3
109.02892	0.6
115.05453	0.4
117.07043	0.8
127.03916	1.1
129.06912	0.3
131.04927	100.0
132.05244	3.4
137.05960	0.4
141.06996	0.6
145.04967	0.5
145.06483	2.3
149.05981	39.2
150.06296	1.2
155.05991	0.3
157.44019	0.2
165.07059	0.3
169.06552	0.3
173.05974	1.8
187.07523	0.3
197.06006	0.5
215.07045	0.9
233.08046	0.5
251.10828	0.3
311.14954	0.5
325.64087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.5
55.01861	7.3
55.05505	4.4
56.59166	1.7
57.03428	18.6
60.20572	1.8
61.02916	5.6
66.00162	1.9
69.03428	64.2
69.64012	10.7
71.01347	5.2
71.04996	5.0
73.02917	11.3
79.05480	5.5
81.03413	20.4
83.04983	5.0
84.52625	2.0
85.02904	31.4
91.05473	8.0
95.04939	3.0
97.02898	39.3
99.04436	5.9
103.03958	6.0
103.05444	13.2
103.56536	1.9
107.04963	9.0
109.02917	2.8
111.04440	3.2
115.03922	7.1
115.05440	7.2
117.07036	5.3
119.04933	14.7
121.06527	4.0
122.03658	7.6
123.04395	4.4
127.03196	2.4
127.03927	25.5
129.05478	11.8
131.04926	23.4
132.05727	2.3
133.02861	4.5
134.03642	2.5
135.04416	7.9
136.07616	3.6
137.05969	100.0
141.06998	10.9
143.04919	5.5
145.04985	3.0
145.06467	8.3
147.04402	19.7
149.02107	19.7
149.05946	22.9
151.03893	9.1
151.07535	14.2
155.04944	3.8
157.06493	3.4
158.07254	2.5
159.04385	7.5
160.05229	7.0
161.05974	7.7
162.03154	2.4
163.07576	14.3
164.04594	3.8
165.05463	4.3
167.07014	12.8
169.06470	11.5
171.04327	3.0
173.05997	4.7
175.03993	2.6
175.07574	14.4
176.04659	5.5
177.05461	42.6
177.09108	3.9
179.07040	18.5
182.08104	2.1
183.04369	2.7
185.04301	2.6
185.05925	2.5
187.07535	5.5
191.07042	38.0
197.06015	13.2
198.06564	2.3
200.04692	3.5
201.05374	3.2
201.09134	6.4
203.07004	14.2
205.08682	6.5
207.06540	2.8
215.07080	13.4
217.08565	3.8
219.06435	2.4
221.08060	6.3
229.08624	22.8
233.08124	6.7
245.08153	2.2
247.09650	3.0
257.08066	11.8
275.09076	6.1
293.10162	8.1
311.07471	64.5
311.11151	11.6
312.07892	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.2
55.01865	4.7
55.05511	2.7
56.79648	2.0
57.03429	14.0
57.37868	2.1
61.02938	2.8
65.85950	2.3
69.03430	46.4
69.60685	11.1
70.06581	2.6
71.01350	3.3
71.04994	6.4
72.08141	2.2
73.02914	7.8
79.05502	4.7
81.03422	19.0
81.04534	4.3
83.05019	4.0
84.66522	2.3
85.02908	28.0
87.04465	2.4
91.05474	7.3
95.04935	3.3
97.02888	34.4
98.97580	3.8
99.04439	4.9
103.03942	3.8
103.05482	7.4
107.04953	6.8
109.02880	4.4
111.04430	4.1
115.03950	6.5
115.05486	6.9
117.07055	6.6
119.04937	12.1
121.06523	7.3
122.03658	7.3
122.07146	5.1
123.04394	2.5
127.03909	28.0
129.05502	9.4
129.07016	2.6
131.04918	19.5
133.02831	3.2
135.04395	6.5
137.05974	100.0
138.06380	2.4
141.07007	9.7
143.04926	4.5
145.04990	5.1
145.06482	7.6
147.04417	18.0
149.05971	25.1
151.03880	10.2
151.07581	8.3
156.03365	3.2
158.06656	3.0
159.04439	6.3
160.05157	3.7
161.05981	6.9
162.03156	3.5
163.07542	12.6
167.07057	12.1
169.06453	12.8
173.06003	4.0
175.07579	14.9
176.04677	3.8
177.01054	2.6
177.05463	35.3
177.06821	3.4
177.09111	2.2
179.07025	13.4
187.07574	8.8
189.05565	4.0
190.06265	2.5
191.07027	33.6
197.05984	9.7
200.04671	3.0
201.09106	5.7
203.07132	9.1
205.08655	2.8
207.06494	2.6
211.07489	2.4
213.05438	2.6
215.06944	11.1
217.08582	3.5
219.06558	2.7
220.04486	3.6
221.08109	5.2
229.08582	18.2
233.08093	7.0
234.99814	4.9
245.08171	3.2
251.00133	4.3
256.97604	6.1
257.08087	12.7
275.09259	8.8
282.00162	4.0
293.10391	8.2
300.01160	3.9
300.07883	5.5
311.04471	3.3
311.07632	4.0
311.10992	12.6
311.24463	2.9
312.07843	22.5
312.11136	3.9
329.05023	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.01868	2.0
55.05510	5.1
57.03444	5.8
61.02920	2.5
62.67571	0.8
65.03932	1.4
67.05498	4.1
69.03427	26.1
71.04994	1.7
71.29948	1.4
73.02922	2.9
75.04494	2.2
76.80045	0.9
79.05489	36.1
81.03407	10.2
81.07050	4.9
83.04979	1.5
85.02907	12.6
85.97624	0.9
87.04498	1.0
91.05476	22.6
93.07038	100.0
94.07362	2.4
95.04967	9.4
95.08577	5.2
97.02885	15.9
97.06551	1.1
99.04461	2.2
100.11248	1.2
101.02384	1.3
103.05494	1.9
105.04533	1.7
105.07025	14.3
106.07812	1.1
107.04959	2.7
107.08592	24.4
107.09291	1.7
109.02894	3.6
109.06532	2.1
109.10139	1.1
111.04406	1.2
111.08084	3.0
115.03894	1.8
115.05439	1.4
115.39933	0.8
116.06255	1.5
117.07003	1.5
119.04961	1.1
119.08595	6.6
121.06516	4.8
121.10137	89.4
122.10488	2.0
123.04414	1.3
123.08088	3.2
127.03903	7.1
129.07027	3.7
131.04872	1.0
131.08551	11.7
133.04979	1.5
133.07567	1.2
133.10130	2.9
135.37370	1.0
137.05956	6.6
139.11142	1.5
141.06931	1.1
143.08553	1.9
145.04942	1.7
145.10152	3.3
147.04460	2.7
147.08014	1.9
147.11681	1.6
149.04909	1.4
149.05988	2.0
149.09616	25.8
151.03848	1.1
151.07574	1.1
157.06477	2.0
157.10194	1.2
158.07321	1.2
159.08041	2.2
159.11795	1.4
161.06029	1.1
161.09648	2.2
163.07594	0.9
163.11188	1.0
167.10670	5.6
173.09673	2.1
174.06786	2.2
175.07541	3.2
175.11246	1.0
187.07613	1.8
189.09061	6.8
191.08650	1.0
191.10683	1.7
201.09174	1.9
207.10155	1.1
214.63591	1.0
219.08041	2.3
219.10072	0.9
229.12225	1.5
233.09613	1.8
235.13310	1.1
236.08177	1.0
247.07727	1.2
247.13329	1.5
251.10760	1.3
257.11844	1.0
265.08667	1.4
265.14444	1.3
275.12509	1.1
279.10114	2.3
293.13864	13.8
293.22409	1.0
296.10406	1.1
298.83115	1.1
311.05374	2.5
311.09210	1.3
311.14883	8.3
311.18292	6.3
317.10736	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1488
Annotation	Bidenoside C
Peak:m/z	Relative Intensity
53.03941	6.2
55.01868	2.0
55.05510	5.1
57.03444	5.8
61.02920	2.5
62.67571	0.8
65.03932	1.4
67.05498	4.1
69.03427	26.1
71.04994	1.7
71.29948	1.4
73.02922	2.9
75.04494	2.2
76.80045	0.9
79.05489	36.1
81.03407	10.2
81.07050	4.9
83.04979	1.5
85.02907	12.6
85.97624	0.9
87.04498	1.0
91.05476	22.6
93.07038	100.0
94.07362	2.4
95.04967	9.4
95.08577	5.2
97.02885	15.9
97.06551	1.1
99.04461	2.2
100.11248	1.2
101.02384	1.3
103.05494	1.9
105.04533	1.7
105.07025	14.3
106.07812	1.1
107.04959	2.7
107.08592	24.4
107.09291	1.7
109.02894	3.6
109.06532	2.1
109.10139	1.1
111.04406	1.2
111.08084	3.0
115.03894	1.8
115.05439	1.4
115.39933	0.8
116.06255	1.5
117.07003	1.5
119.04961	1.1
119.08595	6.6
121.06516	4.8
121.10137	89.4
122.10488	2.0
123.04414	1.3
123.08088	3.2
127.03903	7.1
129.07027	3.7
131.04872	1.0
131.08551	11.7
133.04979	1.5
133.07567	1.2
133.10130	2.9
135.37370	1.0
137.05956	6.6
139.11142	1.5
141.06931	1.1
143.08553	1.9
145.04942	1.7
145.10152	3.3
147.04460	2.7
147.08014	1.9
147.11681	1.6
149.04909	1.4
149.05988	2.0
149.09616	25.8
151.03848	1.1
151.07574	1.1
157.06477	2.0
157.10194	1.2
158.07321	1.2
159.08041	2.2
159.11795	1.4
161.06029	1.1
161.09648	2.2
163.07594	0.9
163.11188	1.0
167.10670	5.6
173.09673	2.1
174.06786	2.2
175.07541	3.2
175.11246	1.0
187.07613	1.8
189.09061	6.8
191.08650	1.0
191.10683	1.7
201.09174	1.9
207.10155	1.1
214.63591	1.0
219.08041	2.3
219.10072	0.9
229.12225	1.5
233.09613	1.8
235.13310	1.1
236.08177	1.0
247.07727	1.2
247.13329	1.5
251.10760	1.3
257.11844	1.0
265.08667	1.4
265.14444	1.3
275.12509	1.1
279.10114	2.3
293.13864	13.8
293.22409	1.0
296.10406	1.1
298.83115	1.1
311.05374	2.5
311.09210	1.3
311.14883	8.3
311.18292	6.3
317.10736	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.4
53.00303	0.3
53.03947	3.5
55.01868	0.6
55.05511	1.5
57.03448	2.0
61.02933	1.1
65.03936	1.4
65.18344	0.3
67.05503	2.5
69.03428	10.0
69.13877	3.1
71.04993	1.1
73.02921	0.5
79.05495	24.5
81.03419	6.6
81.07067	2.3
83.04999	1.0
85.02903	6.6
89.63940	0.3
91.05482	11.0
93.03406	3.6
93.07046	52.9
94.07368	0.7
95.04988	2.7
95.08599	1.5
97.02892	6.9
98.22620	0.7
99.04469	0.6
101.02372	0.4
103.05472	1.0
105.04531	1.4
105.07027	7.4
106.07895	0.5
107.04955	4.7
107.08610	2.2
109.02879	3.0
109.06503	0.4
111.04462	2.3
119.08559	1.6
121.06511	1.5
121.10143	22.9
122.10452	0.4
123.08076	1.0
125.05983	1.0
127.03931	3.5
129.06956	0.4
131.04930	1.4
131.08560	3.0
133.06540	0.5
133.07599	0.5
137.05984	3.9
139.67477	0.4
145.05009	0.5
147.04410	0.9
147.08011	0.7
149.09621	100.0
150.09981	3.2
157.10196	0.4
161.05949	0.9
162.06859	0.5
165.07048	0.4
167.10686	7.3
169.06573	0.4
181.04973	0.6
187.07526	1.0
191.08502	0.5
195.07993	0.5
197.51837	0.4
198.88332	0.4
205.04909	0.8
208.08798	0.5
219.08009	0.9
236.08305	0.5
247.07611	0.9
251.10661	1.7
253.08437	0.6
261.09088	0.5
279.07275	0.4
279.10040	1.9
281.08038	0.6
293.14136	2.0
296.10474	0.6
311.05780	0.4
311.09000	1.2
311.12369	2.7
311.14850	4.4
311.18283	4.3
312.15768	0.5
312.33035	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1487
Annotation	Bidenoside C
Peak:m/z	Relative Intensity
53.03948	3.8
54.89696	0.4
55.01862	1.1
55.05503	1.6
57.03434	2.1
61.02925	1.1
65.03942	0.8
67.05512	3.1
69.03429	13.2
70.82837	0.8
71.01338	0.7
71.04994	1.1
73.02922	0.6
73.86655	0.4
73.93584	0.4
77.03939	1.1
79.05492	22.1
81.03418	6.7
81.07039	2.2
83.04972	0.5
85.02895	6.1
91.05478	8.2
93.03419	3.0
93.07042	51.7
94.07364	0.8
95.04952	1.9
95.08612	1.0
97.02895	9.4
99.04461	1.4
101.02338	0.5
102.91399	0.5
103.05460	3.6
105.04527	1.3
105.07037	7.2
107.04953	5.1
107.08606	2.1
109.02843	2.5
111.04440	2.3
114.10297	0.4
116.06317	0.5
119.08573	1.7
121.06529	1.1
121.10143	21.3
122.03636	0.6
122.10474	0.9
123.08072	1.1
123.11709	0.5
125.06015	0.9
127.03909	4.9
131.04929	11.8
131.08578	3.9
131.54599	0.4
133.07626	0.5
137.05975	4.7
139.11096	0.5
149.06012	5.9
149.09615	100.0
150.09969	3.6
167.10670	7.4
169.06387	0.5
187.07506	1.3
191.08620	2.0
208.08835	0.8
215.78339	0.5
219.07999	3.2
236.08278	0.8
247.07550	2.2
251.10556	1.0
261.09085	0.5
264.07648	0.8
279.10126	4.2
280.10739	0.5
293.13959	3.3
309.41504	0.5
311.12518	3.2
311.15051	3.2
311.18552	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.04725	1.4
53.03934	4.6
55.01871	9.4
55.05511	82.0
56.05820	1.5
57.03437	33.1
57.07076	48.3
61.07212	1.6
65.03928	1.9
67.05504	34.1
69.03418	3.5
69.07068	89.8
69.97150	3.2
70.07364	1.6
71.04978	3.7
71.08636	22.5
79.05494	22.5
81.03402	3.9
81.07058	44.0
83.04988	9.1
83.08618	81.9
85.06529	2.2
85.10171	7.9
90.99269	1.6
91.05486	16.3
93.07038	31.9
95.04951	7.2
95.08610	32.5
97.06541	11.3
97.10172	53.6
99.08088	3.8
105.07053	12.4
106.92310	1.6
107.04956	3.1
107.08582	21.0
109.10146	18.9
111.04435	5.2
111.08070	6.9
111.11713	15.9
113.09669	2.1
115.98388	1.7
117.07000	5.4
119.08569	10.0
119.97708	1.7
121.06471	2.0
121.10148	19.9
123.08083	2.5
123.11706	6.5
125.05965	2.6
125.09596	9.1
125.13261	3.9
129.06902	1.9
131.08589	7.7
133.06493	2.5
133.10112	13.2
135.04414	49.5
135.08017	3.0
135.11710	11.9
137.09637	3.2
139.11191	2.7
142.07678	1.7
143.08563	4.5
145.10136	5.1
147.11679	4.0
149.09587	2.6
149.13264	6.0
151.11163	6.4
153.05518	2.0
155.08536	2.1
156.09438	1.5
157.10130	5.3
159.11740	5.0
161.09599	25.2
161.13120	3.1
163.11197	5.3
163.14752	2.3
165.06854	2.0
167.10677	1.7
169.12320	2.1
171.11732	2.2
173.13239	5.8
175.11168	2.5
177.12698	2.2
177.16367	1.8
181.04930	2.3
181.12198	2.3
183.11696	3.4
185.13319	3.4
191.10683	2.2
195.11699	2.6
197.05997	2.4
197.13326	2.3
209.11696	13.2
219.21080	2.8
236.04607	1.7
237.11140	11.8
237.22006	1.9
238.06316	1.9
239.07040	2.1
247.20647	3.3
253.04941	3.3
253.08580	2.4
255.12173	2.0
257.18979	2.2
268.07413	1.9
269.08066	2.0
275.20111	16.8
281.08157	2.3
293.21008	18.2
296.06610	3.7
297.07428	1.9
311.05490	4.6
311.09079	14.8
311.12552	3.3
311.16388	3.3
311.26010	100.0
312.06030	2.0
312.09570	3.3
312.26169	6.3
312.32532	13.5
319.39160	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03944	5.7
55.01871	16.6
55.05514	69.0
57.03431	4.2
57.07081	2.7
67.05505	47.1
69.03425	8.9
69.07060	19.2
70.52777	2.7
70.53094	4.5
70.88026	2.1
71.08632	25.9
77.02737	2.7
79.05499	36.1
79.11072	2.5
80.05834	2.3
81.03419	26.4
81.04188	2.7
81.07056	54.2
83.04983	21.7
83.08615	46.3
85.06557	3.8
91.05479	26.0
93.07046	28.7
95.04969	42.3
95.08603	21.9
97.02881	3.2
97.06535	10.2
97.10174	44.5
99.04449	3.6
99.08086	28.3
105.07043	18.7
107.04954	8.3
107.08601	32.3
109.06535	8.8
109.10177	20.0
111.04450	10.0
111.07384	2.6
111.08060	12.6
113.09679	4.2
117.07027	6.3
119.08591	13.8
121.06545	6.4
121.10146	13.4
123.08078	5.3
123.11690	4.3
125.06020	3.6
125.09631	29.4
129.06999	6.1
131.08580	15.7
133.10133	11.5
135.08081	6.8
135.11681	9.2
139.11203	6.2
142.07777	2.6
143.08586	5.3
143.10681	2.3
145.10146	12.8
147.11697	11.1
149.09595	13.7
149.13222	4.3
151.11264	3.3
153.09161	4.8
153.12762	4.7
155.15007	2.3
157.10133	10.6
159.11707	10.6
163.11166	56.6
164.11499	3.1
165.12805	4.6
167.10747	6.3
169.10130	4.6
173.09586	3.7
173.13211	2.6
175.11226	4.5
177.12741	6.9
181.12170	2.5
183.11685	5.7
183.13939	3.9
185.11693	3.2
187.14861	3.2
189.11230	11.1
192.24971	2.5
193.12289	15.5
195.13818	23.2
197.13359	2.7
211.13234	12.6
211.31137	2.8
223.11234	2.9
223.13199	11.5
229.19496	3.4
239.17671	2.6
247.20560	5.0
248.42787	3.0
257.18918	4.2
275.20120	31.4
283.09790	2.8
293.21088	100.0
294.21460	6.5
296.03275	2.6
311.05502	9.6
311.09308	7.3
311.13263	3.4
311.16879	4.3
311.19879	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.95620	2.0
55.01866	5.6
55.05315	2.5
55.05520	28.8
57.03433	5.3
57.07077	4.9
65.03959	3.2
67.05508	72.7
69.03431	7.1
69.07070	18.6
71.04995	6.2
71.08636	65.6
79.05496	24.3
81.03419	7.1
81.07057	37.7
83.04993	24.5
83.08205	2.3
83.08612	13.2
85.02924	2.8
85.06525	5.2
91.05482	24.0
93.07048	26.5
95.04974	17.8
95.08605	33.9
97.06529	12.4
97.10176	9.0
99.08099	41.6
105.07023	14.6
105.17500	2.4
107.04964	3.1
107.08621	13.5
109.06518	7.8
109.10156	49.5
111.04426	2.3
111.08062	4.5
112.58137	2.3
114.10349	4.1
117.06992	7.7
119.08586	14.4
121.06464	2.5
121.10159	8.9
123.08089	5.5
123.11726	3.0
125.09647	5.1
127.11223	3.0
130.40674	2.7
131.08580	5.9
133.10124	15.8
135.08055	3.2
135.11703	6.2
137.06039	3.7
137.09650	9.1
139.11176	66.3
141.09119	4.4
141.12746	2.5
145.10143	5.3
147.11714	4.8
149.13280	2.6
151.11180	36.9
155.10677	12.8
157.10359	3.1
159.11717	7.0
161.09624	8.0
163.11200	4.3
165.07028	2.8
165.12747	6.7
173.09514	2.6
173.11765	31.8
173.13165	4.1
177.12732	13.2
179.10681	6.5
181.05003	4.9
181.06503	3.1
183.11806	2.4
187.07738	3.2
191.08549	3.8
191.14265	2.3
194.07288	2.6
195.08109	3.3
195.13826	4.9
197.05981	2.9
209.15302	2.2
215.17944	2.4
219.08054	4.2
225.05463	3.6
240.04105	3.4
247.07491	2.2
247.20499	3.8
251.10745	3.4
253.08571	4.8
255.06316	2.9
257.19003	5.6
265.08527	4.7
268.03632	3.4
268.07306	2.5
275.16891	3.3
275.20059	25.7
279.10236	5.2
283.06064	5.3
293.04639	3.0
293.21100	100.0
294.21637	6.4
311.05524	5.4
311.09146	12.3
311.12811	19.0
311.15891	2.5
311.22394	12.3
312.06134	4.5
312.15814	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91305	3.8
51.57711	4.3
52.54967	3.8
53.03961	12.0
55.05510	27.3
56.44700	4.8
57.03431	6.5
57.07069	8.9
65.84423	3.7
67.05512	46.3
69.07067	72.1
69.07420	5.6
71.08601	3.7
79.05127	4.5
79.05483	25.7
81.07058	50.4
83.04980	4.2
83.08630	14.6
85.64732	4.4
91.05479	40.9
93.07040	100.0
93.61266	4.1
94.33223	3.9
95.04966	81.4
95.08604	90.0
97.06518	25.7
97.10211	4.6
98.23203	30.8
105.07030	72.8
105.07691	7.5
107.08598	56.9
107.46120	4.9
109.06536	11.8
109.10138	39.9
111.11734	4.2
115.05490	8.9
117.07035	21.4
119.06056	4.4
119.08585	74.9
121.06488	20.3
121.10143	53.7
123.08077	18.2
123.11735	19.4
127.65736	4.1
128.06227	8.3
129.06953	6.9
131.08568	22.6
133.10143	42.3
135.08092	12.6
135.11720	19.1
137.09689	7.0
137.13234	8.0
142.07846	11.4
143.08592	16.0
144.09377	7.8
145.10130	38.5
147.11678	29.9
149.13287	4.7
155.08493	5.9
156.09348	5.5
157.10112	34.3
159.11696	46.6
161.09598	11.7
161.13197	12.0
163.11234	6.0
169.10136	17.2
171.11734	22.4
173.13330	17.6
175.14847	8.9
177.16347	34.7
181.10222	5.8
183.11702	10.0
185.13295	11.6
187.14909	8.0
188.93230	4.3
189.16423	14.3
195.11720	4.9
197.13287	11.1
199.14780	8.3
201.16415	13.9
203.18109	4.4
209.11700	10.7
209.13405	7.6
211.14719	7.4
215.17877	9.0
229.26628	4.4
237.11034	9.3
255.21156	8.6
293.22699	6.4
311.23581	48.4
311.26328	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2579
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
51.00938	0.8
53.03939	1.9
55.01863	2.3
55.05511	69.5
57.03439	26.9
57.07077	31.7
60.13097	0.9
67.05503	11.1
67.18174	1.0
67.52682	0.7
69.07069	76.7
70.07381	1.0
70.56110	2.4
71.08631	20.7
73.02934	1.2
73.06564	1.0
74.69720	0.9
79.05495	6.4
81.07054	13.9
82.05125	0.9
83.04986	2.3
83.08620	62.5
84.08926	2.1
85.06530	1.5
85.10169	8.3
91.05473	1.4
93.07043	8.1
94.88628	0.8
95.08611	11.1
95.45576	0.8
97.06542	4.8
97.10168	47.5
98.10503	1.3
98.23032	1.4
107.08587	7.5
109.10147	4.5
111.08096	3.0
111.11719	15.2
121.10135	8.1
123.11700	2.5
125.09657	2.3
125.13263	3.0
135.11710	6.3
137.13248	1.0
138.70908	0.8
139.11150	2.6
149.13268	3.5
163.14812	2.5
171.11720	1.0
172.66850	1.1
195.11591	0.8
209.11646	1.9
219.21065	2.0
237.11061	1.4
244.67696	1.0
281.08002	1.1
311.09143	1.6
311.25803	100.0
312.26050	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.8
53.03942	1.8
55.01863	2.3
55.05511	66.5
56.28662	0.7
57.03439	27.9
57.07075	34.0
67.05179	0.9
67.05508	10.8
68.75354	0.7
69.07066	80.7
70.07388	1.4
71.05008	1.0
71.08629	20.6
73.02921	1.1
73.06525	0.7
79.05488	7.3
81.07057	13.0
83.04956	0.9
83.08617	62.9
84.08939	1.0
85.06516	1.2
85.10182	7.9
91.05485	0.9
93.07042	8.7
95.08604	10.1
97.06522	6.3
97.10169	48.5
98.22556	1.6
101.06001	1.2
107.08604	6.0
109.10151	2.3
111.08063	2.8
111.11722	13.8
115.52290	0.6
121.10145	10.3
123.11662	1.7
125.09631	2.0
125.13255	2.9
135.11690	6.5
137.13240	1.8
139.11186	2.6
142.81868	0.8
149.13252	3.2
153.12785	1.1
153.16443	0.8
163.14815	1.7
182.07193	0.8
219.21086	2.1
225.08995	0.9
237.22173	1.0
272.30975	0.7
311.09302	1.3
311.25778	100.0
312.26059	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51257	2.3
57.03438	5.4
61.02921	12.2
61.98220	2.7
69.03420	12.1
69.07072	11.3
69.47533	14.3
73.02920	6.1
81.03419	6.5
85.02903	100.0
87.04511	2.6
87.08115	23.3
87.57185	2.7
91.03961	5.3
97.02888	25.5
99.04443	5.6
101.21046	2.7
102.41808	2.7
105.09106	3.4
109.02878	11.4
115.07571	5.7
127.03918	28.0
131.10960	3.0
133.08624	9.4
145.04962	40.4
163.06047	13.0
221.77972	2.9
238.35681	2.8
247.05843	3.0
250.10622	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03017	2.6
57.03429	5.0
61.02916	6.9
69.03443	19.1
69.07066	11.1
69.70427	8.1
69.70828	6.7
72.08153	3.4
73.02902	4.8
81.03432	6.5
85.02909	100.0
87.04456	3.1
87.08143	17.4
91.03967	5.4
97.02903	27.4
99.04436	3.8
109.02876	7.2
127.03935	22.2
133.08626	4.4
137.06033	2.8
145.04964	36.7
151.03949	4.2
163.06021	9.0
174.02489	6.7
181.04987	3.9
196.22360	2.7
216.66347	2.9
245.52235	2.9
283.11731	3.9
309.44424	3.5
312.05740	6.9
312.15524	4.4
313.07089	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0172
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	8.7
69.03889	5.4
69.45521	24.2
69.45928	12.5
84.22630	7.8
84.70550	6.6
85.02914	10.2
93.03420	13.1
97.02909	8.4
101.00907	8.7
119.01938	26.8
121.02888	14.2
131.01897	17.3
133.03506	19.0
145.03481	12.1
149.04494	9.1
150.99066	9.6
151.04553	8.7
156.97523	30.7
173.02953	11.2
174.98570	19.2
187.04596	7.9
211.04529	40.4
212.04494	7.6
221.00417	6.5
225.00127	27.3
243.01190	13.3
252.99480	8.3
253.05510	8.4
267.01157	9.6
289.04340	8.0
295.00674	14.6
295.08734	20.6
313.01810	100.0
313.07761	15.2
331.02835	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
61.01136	1.3
61.02939	1.1
65.03932	2.4
67.05492	1.4
68.48950	0.9
69.03430	3.7
70.06593	1.7
70.28109	0.9
75.26778	0.8
81.03436	1.2
83.04972	1.9
84.08167	1.2
85.02907	3.3
89.06051	5.0
91.05452	1.0
93.03400	2.8
95.04990	1.3
97.02898	47.2
98.97606	1.4
101.00887	1.4
108.08119	8.6
111.04446	8.4
119.01926	2.6
120.71570	0.9
121.02867	3.0
127.03944	1.0
131.01915	1.5
133.05025	1.1
134.06061	1.2
134.09669	1.2
135.06563	1.0
136.06195	100.0
137.04578	1.5
139.03925	12.9
143.01717	3.4
145.03514	1.6
145.05028	1.7
149.07146	1.8
150.05481	1.8
152.07085	7.5
152.10754	3.1
152.17480	0.9
156.97504	3.2
158.06635	2.5
159.06729	2.0
161.02905	3.0
161.04422	0.9
164.05705	6.9
171.09792	2.2
172.06496	1.1
174.98534	3.0
176.07687	1.2
177.00974	11.0
178.01108	1.2
178.07298	3.6
179.00655	1.6
179.03728	3.0
185.06537	0.8
191.02550	3.6
197.02962	1.7
201.00922	2.6
203.02467	3.8
205.00482	1.0
217.04097	7.9
218.03853	2.2
218.98792	2.1
219.02026	21.4
220.02150	2.4
221.01433	1.1
221.03162	1.9
225.00047	2.1
227.02550	1.2
231.02057	1.1
233.03517	1.1
234.99788	1.0
236.99765	4.0
240.99605	0.9
242.98706	1.4
243.01604	1.3
245.03539	1.6
260.04596	2.3
260.99908	4.4
261.03088	10.8
262.03342	1.5
270.98373	3.5
273.03311	1.2
277.02493	1.6
279.00937	3.7
283.06848	1.4
284.99899	2.8
288.99374	8.0
289.02533	1.4
289.99313	1.1
290.02518	1.0
295.00446	2.2
296.08160	3.0
301.07867	1.7
303.00986	4.3
307.00201	1.1
307.03683	1.5
313.02829	8.4
313.08322	18.5
314.08951	7.2
314.12360	4.8
314.15747	1.7
331.00095	1.6
331.03372	3.2
331.15015	0.9
332.10315	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
61.01136	1.3
61.02939	1.1
65.03932	2.4
67.05492	1.4
68.48950	0.9
69.03430	3.7
70.06593	1.7
70.28109	0.9
75.26778	0.8
81.03436	1.2
83.04972	1.9
84.08167	1.2
85.02907	3.3
89.06051	5.0
91.05452	1.0
93.03400	2.8
95.04990	1.3
97.02898	47.2
98.97606	1.4
101.00887	1.4
108.08119	8.6
111.04446	8.4
119.01926	2.6
120.71570	0.9
121.02867	3.0
127.03944	1.0
131.01915	1.5
133.05025	1.1
134.06061	1.2
134.09669	1.2
135.06563	1.0
136.06195	100.0
137.04578	1.5
139.03925	12.9
143.01717	3.4
145.03514	1.6
145.05028	1.7
149.07146	1.8
150.05481	1.8
152.07085	7.5
152.10754	3.1
152.17480	0.9
156.97504	3.2
158.06635	2.5
159.06729	2.0
161.02905	3.0
161.04422	0.9
164.05705	6.9
171.09792	2.2
172.06496	1.1
174.98534	3.0
176.07687	1.2
177.00974	11.0
178.01108	1.2
178.07298	3.6
179.00655	1.6
179.03728	3.0
185.06537	0.8
191.02550	3.6
197.02962	1.7
201.00922	2.6
203.02467	3.8
205.00482	1.0
217.04097	7.9
218.03853	2.2
218.98792	2.1
219.02026	21.4
220.02150	2.4
221.01433	1.1
221.03162	1.9
225.00047	2.1
227.02550	1.2
231.02057	1.1
233.03517	1.1
234.99788	1.0
236.99765	4.0
240.99605	0.9
242.98706	1.4
243.01604	1.3
245.03539	1.6
260.04596	2.3
260.99908	4.4
261.03088	10.8
262.03342	1.5
270.98373	3.5
273.03311	1.2
277.02493	1.6
279.00937	3.7
283.06848	1.4
284.99899	2.8
288.99374	8.0
289.02533	1.4
289.99313	1.1
290.02518	1.0
295.00446	2.2
296.08160	3.0
301.07867	1.7
303.00986	4.3
307.00201	1.1
307.03683	1.5
313.02829	8.4
313.08322	18.5
314.08951	7.2
314.12360	4.8
314.15747	1.7
331.00095	1.6
331.03372	3.2
331.15015	0.9
332.10315	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0703
Annotation	5252-40-4
Peak:m/z	Relative Intensity
51.82463	0.2
52.82751	0.2
55.66211	0.2
56.40329	0.2
61.09481	0.2
71.27113	0.2
98.22624	0.5
128.06178	0.5
129.45287	0.2
139.05354	0.5
140.06081	0.6
152.06116	0.4
153.06929	0.5
154.07671	0.3
155.04778	0.3
156.05566	0.5
157.06442	0.4
158.07240	0.3
165.06932	0.6
166.04094	0.6
167.08504	0.4
168.05730	1.1
169.06383	0.7
171.04350	0.3
171.08002	0.3
180.05598	0.3
181.06448	1.1
182.03558	0.3
182.07170	0.5
183.04346	0.8
183.07991	0.8
184.05171	2.4
185.05898	0.4
186.06689	0.2
193.06470	0.3
194.03589	0.6
195.04378	0.7
195.08086	1.0
196.05186	1.5
196.08768	0.3
197.05959	1.7
197.09535	0.3
199.03789	0.9
199.07425	0.4
200.04567	0.4
208.05106	0.5
209.05899	0.9
210.03015	0.2
210.06657	0.6
211.03990	1.3
211.07510	1.1
212.04669	4.4
212.08095	0.7
213.05406	1.3
214.06192	0.5
215.03484	0.2
221.05898	0.5
222.02989	0.3
223.03850	0.6
223.07497	1.4
224.02635	0.4
224.04672	5.7
224.08273	0.7
225.05402	1.7
225.09003	0.6
226.06226	0.6
226.09723	0.4
227.03415	1.7
227.07056	1.4
228.04068	0.6
237.05367	0.6
238.02599	0.3
238.06241	3.0
239.03511	1.0
239.07011	6.5
240.01753	0.3
240.04179	4.9
240.07780	2.0
241.04971	3.3
242.05684	1.7
243.02942	0.4
243.06294	0.3
249.05603	0.3
250.06209	0.8
251.03354	0.3
251.07135	1.1
252.04163	5.9
252.07605	0.7
253.04918	7.9
253.08543	1.6
254.02246	0.6
254.05458	0.7
254.09146	0.4
255.02885	4.1
255.06453	2.7
255.10098	1.7
256.03604	0.6
256.07144	0.5
257.04483	1.1
257.08142	0.4
265.04865	0.3
266.05719	5.5
267.02829	1.2
267.06430	2.3
268.03625	1.6
268.07230	0.6
269.04434	28.6
270.05112	5.7
270.08264	0.3
271.05829	0.5
280.03583	2.1
281.04428	2.8
281.08054	2.2
282.05276	0.4
282.08807	5.6
283.02393	4.2
283.05975	4.4
283.09543	2.4
284.03146	5.2
284.06528	1.2
285.03833	2.2
285.07535	1.1
285.10898	0.4
295.02365	1.6
297.03922	24.9
298.04709	24.2
298.08337	7.9
299.05173	2.2
299.09006	0.9
313.07083	100.0
313.10617	13.2
314.07458	6.3
314.10904	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0705
Annotation	5252-40-4
Peak:m/z	Relative Intensity
52.96507	0.2
57.03349	0.2
65.93134	0.2
68.81853	0.2
69.56539	0.7
69.56946	0.4
82.53034	0.2
91.49195	0.2
98.22659	0.3
128.06137	0.5
139.05333	0.9
140.06114	0.9
141.00491	0.2
141.06937	0.3
142.04016	0.3
152.06122	0.6
152.16628	0.2
153.06946	0.4
154.04169	0.2
155.04820	0.6
156.05638	0.6
157.06403	0.5
165.06888	0.6
166.04068	0.5
167.08484	0.3
168.05727	1.7
169.06476	0.3
171.04361	0.6
171.07925	0.3
180.05617	0.3
181.06395	0.8
182.03624	0.3
182.07239	0.3
183.04379	1.4
183.07970	0.3
184.05208	2.2
184.08659	0.3
185.05873	0.7
186.06708	0.3
193.06406	0.4
194.03516	0.2
195.04373	0.5
195.07965	1.0
196.05222	1.8
196.08742	0.3
197.06000	1.0
199.03838	0.9
199.07506	0.5
200.04642	0.5
208.05125	0.4
209.05879	0.8
210.03113	0.3
210.06581	0.8
211.03926	1.2
211.07407	1.0
212.04695	5.4
212.08170	0.7
213.05519	1.5
214.06122	0.6
215.03432	0.2
222.03256	0.2
222.06696	0.2
223.03920	1.0
223.07520	1.0
224.04674	7.3
224.08215	0.6
225.05389	1.4
225.09000	0.4
226.06143	0.5
226.09689	0.2
227.03413	2.1
227.06929	1.6
228.04079	0.5
237.05443	0.7
238.02534	0.3
238.06252	2.0
239.03352	1.3
239.07033	5.0
240.04204	6.9
240.07733	1.5
241.04893	3.9
242.05795	1.4
242.09116	0.4
243.02827	0.3
250.06247	0.7
251.03355	0.8
251.06990	0.6
252.04160	6.3
252.07669	0.8
253.04927	6.7
253.08614	1.4
254.02087	0.4
254.05310	0.4
255.02867	5.8
255.06467	2.0
255.10107	1.4
256.03604	1.0
256.07294	0.4
257.04544	1.3
257.07813	0.2
266.05710	3.9
267.03354	1.5
267.06348	2.3
268.03613	1.6
268.07202	0.9
269.04440	29.8
270.05182	6.9
270.08282	0.4
271.05988	0.6
280.03629	1.3
281.04425	2.2
281.08051	1.8
282.05280	0.4
282.08838	5.2
283.02405	3.2
283.06006	3.4
283.09485	1.7
284.03198	4.5
284.06436	0.8
285.03882	2.3
285.07529	0.8
285.10794	0.4
295.02341	1.0
297.01294	0.3
297.03934	19.9
298.04730	25.8
298.08313	6.3
299.05188	2.4
299.08774	0.6
313.07089	100.0
313.10623	12.7
314.07465	7.5
314.10895	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0704
Annotation	5252-40-4
Peak:m/z	Relative Intensity
54.88263	0.2
57.07079	0.2
76.35309	0.2
77.76924	0.2
93.00494	0.2
97.36970	0.2
128.06177	0.4
129.06958	0.2
139.05386	0.4
140.06238	0.4
143.30208	0.2
155.04906	0.5
156.05685	0.4
160.28702	0.2
168.05704	0.4
171.04422	0.3
173.13228	0.2
183.04413	0.5
184.05215	1.4
187.03590	0.4
195.04414	0.4
196.05182	0.7
197.02460	0.3
197.06042	0.5
198.03053	1.0
199.03758	3.0
200.04678	0.4
210.03122	2.0
211.03885	0.6
212.04674	3.9
213.05371	0.7
214.02676	0.4
214.06041	0.4
215.03036	0.6
219.02518	0.3
223.03853	0.3
223.07538	0.3
224.04657	2.9
225.05431	1.0
226.02713	0.3
227.03365	5.3
227.06854	0.4
228.04068	0.7
238.02524	1.7
239.03343	1.0
239.06992	0.6
240.04182	4.6
240.06662	0.3
240.07726	0.2
241.04907	2.8
242.05649	0.7
244.03558	0.4
251.03490	0.4
252.04247	2.7
253.04953	10.1
254.02118	0.3
254.05284	0.6
255.02875	11.3
255.06325	0.6
256.03455	0.9
257.04480	0.5
266.02112	1.1
266.05728	0.5
267.02893	5.8
267.06049	0.4
268.03656	1.4
269.04434	22.4
270.04880	10.8
271.05359	0.5
280.03668	2.6
281.04437	1.4
281.07440	0.3
282.05231	3.2
282.08398	0.5
283.02374	10.2
283.05811	1.1
284.03070	1.6
284.06238	0.5
285.03851	1.3
285.07211	0.4
295.02353	0.5
297.03925	18.8
298.04648	22.3
298.07883	0.8
299.05109	1.3
313.07031	100.0
314.07373	5.4
314.11002	0.3
314.34094	0.5
324.67996	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1071
Annotation	BIOCHANIN A, DIMETHYL ETHER
Peak:m/z	Relative Intensity
55.05507	1.6
57.07080	2.3
58.07408	0.4
62.06086	0.6
66.11913	0.2
67.05502	1.7
69.07057	1.1
71.08627	0.6
71.31636	0.3
76.59872	0.3
79.05484	0.5
81.07047	1.1
83.08624	0.8
85.10177	0.6
91.05482	10.6
92.05806	4.7
93.07032	0.3
95.08598	1.1
107.04967	1.7
108.05286	0.5
108.08117	1.1
109.08440	0.4
109.10154	1.0
113.05971	0.3
119.08555	0.3
125.02383	0.3
132.05685	0.5
133.06500	1.1
135.04416	1.3
138.03136	0.5
139.65105	0.3
145.06511	0.3
150.06358	0.3
153.01819	0.7
157.10152	0.3
165.01773	0.6
165.43304	0.3
166.02649	0.8
169.06728	0.3
176.79163	0.2
181.04991	1.5
181.74950	0.3
184.03726	0.6
194.07150	0.4
197.09613	0.5
198.09889	0.4
199.07553	0.3
210.06569	0.3
224.08345	0.5
225.09064	1.1
227.07092	1.5
238.06317	0.4
241.08626	0.4
242.09389	0.5
243.06619	0.6
252.07669	0.4
253.08606	1.1
254.09399	0.3
255.06599	1.9
256.13315	1.5
257.13669	5.0
267.06415	0.3
269.08075	2.1
270.08856	24.4
271.09158	1.6
281.08026	0.9
283.05899	0.8
297.04120	0.4
297.07587	7.2
298.08344	23.8
299.08670	1.5
311.09296	0.3
312.32581	3.3
313.10684	100.0
313.27481	0.7
313.33060	1.6
314.11014	6.4
314.34009	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.1
57.03435	11.8
61.02928	13.4
67.05504	33.7
69.03428	46.9
69.07064	7.4
70.89982	8.7
70.90314	6.4
71.04971	6.6
73.02902	16.1
76.31077	5.7
79.05487	11.2
81.03409	23.2
81.07059	44.7
85.02430	8.5
85.02907	100.0
87.55077	5.4
91.05490	35.8
93.07043	17.6
95.04986	11.7
95.08572	12.9
97.02882	23.2
103.03972	4.9
105.06995	14.9
107.04964	17.7
107.08563	13.0
109.02914	7.2
109.06527	6.9
109.10198	9.8
116.05039	6.0
116.87769	6.0
119.04973	13.1
119.08589	10.8
121.10154	10.9
122.03609	6.4
123.11707	56.2
127.03934	23.3
129.07022	18.4
133.10132	9.3
135.04388	8.2
135.08073	7.2
136.47601	6.8
137.05971	55.6
145.04982	38.5
149.09622	6.7
151.03880	7.4
151.07521	62.6
151.11154	20.9
157.06487	12.4
161.09630	10.1
163.06042	6.0
165.07025	10.5
169.12320	9.7
174.06732	11.0
175.07591	9.8
189.09082	37.5
205.75092	5.4
221.05934	8.8
221.09615	7.6
223.07486	9.7
224.08252	5.5
225.09166	7.6
249.09064	7.2
251.07021	10.0
253.08659	7.8
253.12105	11.5
255.06398	6.2
281.11612	9.2
295.05759	7.1
313.03790	6.3
313.07373	8.3
313.10913	21.7
313.14468	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.4
55.01874	8.8
65.03927	0.9
67.05502	1.2
69.07072	2.0
69.46202	4.7
69.46518	0.8
70.24303	0.8
72.08155	2.7
77.03912	1.3
77.98836	0.7
79.05502	4.9
81.07052	1.9
83.04995	1.0
87.15451	0.9
90.26928	0.9
91.05475	15.6
93.07024	7.4
94.04196	0.9
94.21625	1.1
95.04993	4.5
95.08633	1.0
100.25508	0.8
103.05466	63.5
104.06306	4.3
105.04488	1.3
105.07025	13.1
107.04947	15.6
109.06558	1.1
115.05457	2.6
117.07007	2.0
119.04918	6.8
121.06500	17.8
121.07333	1.2
121.54993	0.9
122.03657	2.9
123.04419	10.0
128.06229	3.3
129.06999	1.9
131.04921	32.8
131.05928	1.7
132.05708	3.5
133.06487	17.0
135.04436	1.3
135.08060	6.0
137.05972	52.5
138.06313	1.3
143.08598	5.6
145.06433	2.0
147.04413	10.7
147.08052	2.1
148.05130	2.7
149.05975	100.0
150.06332	3.6
151.03918	1.2
151.07549	14.1
152.07892	0.9
157.06512	1.6
161.05977	9.0
161.09586	1.5
163.07541	37.2
164.08328	59.5
165.07018	1.4
165.09044	4.0
171.08038	6.3
174.06816	1.9
175.07547	19.2
177.09233	1.5
179.07083	3.0
179.08542	1.2
180.07785	2.0
183.07997	0.9
189.09106	19.7
190.09677	0.9
192.09393	1.1
203.10701	3.6
211.07530	2.5
220.08813	1.1
221.05923	2.0
224.08371	1.1
235.07500	1.2
235.11252	1.0
238.06107	0.8
239.06918	1.1
239.10779	1.2
253.08652	2.0
253.12238	1.4
254.09364	3.6
255.10060	0.9
263.10773	1.0
269.08008	1.2
269.13129	1.2
280.07306	0.9
280.10922	0.8
281.08142	2.2
281.11407	1.5
282.08698	1.1
284.10486	1.3
295.13272	3.0
296.67709	0.9
313.10709	8.0
313.14365	19.5
313.17819	0.9
313.21634	1.0
314.14688	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1433
Annotation	Stemofuran I
Peak:m/z	Relative Intensity
51.02384	0.4
53.03942	0.6
53.74706	0.3
54.75021	0.3
55.01862	0.8
65.03934	1.6
69.03429	0.5
69.17087	0.9
69.17481	2.8
79.05496	2.0
81.07042	1.3
83.68191	0.3
91.05480	38.9
92.05817	1.1
93.07014	0.6
94.04175	1.7
95.04971	7.2
98.22645	0.9
103.05468	2.0
105.04485	0.4
105.07016	1.5
107.04948	3.8
108.05762	0.6
109.06528	3.1
115.05457	2.1
117.03357	0.5
117.06989	1.0
119.04940	26.2
121.06522	0.9
122.03636	5.7
123.04433	1.2
123.08068	1.0
127.35419	0.4
128.06218	7.3
129.07004	23.9
130.07373	0.7
131.04971	2.6
131.08582	1.1
132.05708	0.4
133.06522	2.0
135.04308	0.5
135.08047	1.1
136.05200	5.1
137.05974	71.0
138.06299	1.8
138.89781	0.4
143.04898	0.7
145.06483	2.7
146.07251	0.6
147.04449	0.4
147.08032	1.1
149.05962	1.2
149.07419	1.2
151.03923	1.7
151.07536	100.0
152.07878	4.2
153.07002	0.6
155.06032	1.3
156.05690	1.9
157.06496	14.5
158.07079	0.7
159.04439	0.8
160.05196	0.8
161.05977	2.2
161.09605	1.7
163.07532	7.0
165.05452	1.2
165.06978	2.1
167.08382	0.4
169.90257	0.5
171.08009	0.4
173.06039	0.5
174.06764	14.4
175.07553	7.7
176.08147	0.6
177.09114	1.3
178.07771	3.9
179.08450	0.6
181.06410	0.9
187.07472	0.5
189.09099	60.8
190.09425	3.1
192.09303	1.3
193.06494	0.9
193.10106	5.0
194.07280	0.4
195.08160	0.9
197.05995	0.7
202.07716	1.3
203.08574	2.7
205.06477	0.8
206.07266	1.5
207.08017	0.8
209.05991	0.8
210.06813	1.3
211.07561	0.9
212.08231	0.8
214.97955	0.4
219.08040	1.1
220.08780	1.2
221.06183	0.5
221.09579	10.0
222.10118	0.8
223.07544	1.0
225.09122	1.5
225.12361	0.4
227.07028	0.5
231.07983	0.8
234.06772	0.9
235.11124	0.5
237.09039	1.1
238.06235	0.5
238.09856	1.4
239.06877	0.6
239.10690	0.6
241.08595	0.7
248.08337	0.7
249.09056	7.3
250.09677	1.0
251.07086	0.4
252.07738	0.5
253.08607	1.2
253.12233	12.1
254.12706	0.8
263.10654	0.9
265.08459	0.4
266.09311	1.2
267.10080	1.0
269.08139	3.8
270.08606	0.7
272.10379	0.9
281.11734	7.2
282.12219	0.9
284.10455	1.7
285.11169	1.0
288.55414	0.4
298.11887	0.8
313.10864	1.9
313.14294	35.4
314.11343	0.5
314.14722	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1433
Annotation	Letestuianin C
Peak:m/z	Relative Intensity
51.02371	1.1
53.03946	2.9
55.01873	8.1
57.03442	1.1
61.00654	0.9
67.05492	1.5
69.03414	1.1
69.07085	2.2
69.45340	4.5
72.08159	3.6
79.05496	6.4
81.03388	1.1
81.07043	1.6
91.05483	17.1
91.06007	1.4
93.07038	8.5
95.04984	5.3
95.08604	1.1
95.67733	0.8
103.05470	74.5
104.06310	4.8
105.04539	1.9
105.07032	15.8
107.04953	16.7
109.02835	1.0
109.06503	2.1
115.05465	2.5
117.07029	2.6
119.04946	5.3
120.51682	1.0
121.06509	20.1
122.03666	3.8
123.04430	11.4
128.06212	4.3
129.07033	2.1
131.04927	35.8
132.05705	4.2
133.06477	18.8
133.07422	1.6
135.08032	6.5
137.05974	60.0
138.06326	2.4
143.08557	5.3
145.06529	1.9
147.04416	12.6
147.08051	3.1
148.05188	3.1
149.05978	100.0
150.06345	3.1
151.03928	1.4
151.07542	12.2
151.11133	0.9
153.06911	1.0
157.06493	1.4
161.05975	9.5
161.09676	1.5
163.07542	37.6
164.08336	65.5
165.07021	1.2
165.09036	4.4
166.07872	0.9
171.08041	4.9
174.06808	1.8
175.07545	20.0
175.08945	1.4
176.08095	1.0
178.07848	1.5
179.07018	2.1
180.07797	1.6
181.06499	1.1
189.09093	17.5
197.09746	1.0
203.10728	3.1
210.06708	1.1
211.07521	2.4
221.05931	1.5
221.09708	1.1
224.08276	0.9
227.07068	1.1
237.05492	1.5
239.06880	1.2
252.07687	1.4
253.08554	3.2
253.12296	1.9
254.09421	3.3
255.06580	1.0
263.10733	1.9
267.10190	1.9
269.08188	1.2
280.11011	1.6
281.08231	1.7
281.11661	1.6
285.11368	1.0
295.13370	2.8
313.10739	8.0
313.14346	17.3
313.17899	1.8
314.11096	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.3
53.03947	0.9
55.01870	0.8
57.07072	0.4
65.03938	1.7
67.05507	1.4
69.03419	1.0
69.62796	1.8
69.63145	0.7
76.03186	0.3
77.60321	0.4
79.05502	2.2
81.03406	1.1
81.07063	3.1
82.65774	0.3
85.02919	0.3
91.05483	40.4
92.05816	1.0
94.04187	2.0
95.04974	6.8
95.08582	0.4
97.02885	1.0
99.04424	0.5
103.05457	2.6
105.07048	1.6
107.04952	3.2
107.08618	0.5
108.05749	0.4
109.06538	2.2
109.10151	8.4
115.05445	1.5
116.06223	0.5
117.07034	1.1
119.04947	26.2
119.08543	0.5
120.05267	0.5
120.08151	0.6
121.02847	0.4
121.06546	0.8
122.03649	7.4
123.04445	1.0
123.08067	1.4
123.11700	5.2
128.06229	7.7
129.07011	22.5
130.07356	0.4
131.04955	2.3
131.08557	1.2
131.13478	0.4
133.06482	2.5
135.04373	0.5
135.08054	0.7
136.05196	5.2
137.05977	62.5
138.06329	1.5
143.04904	0.8
145.06461	2.3
146.07249	0.9
147.08037	0.8
149.05997	1.3
151.04031	2.9
151.07544	100.0
152.06079	0.4
152.07907	2.9
155.06058	1.4
156.05705	1.5
157.06491	13.7
158.07106	0.7
159.08060	0.5
160.05173	0.6
161.06013	2.2
161.09636	2.2
163.03975	0.5
163.07576	2.6
165.07019	2.3
169.12222	1.9
173.05975	0.4
174.06770	12.4
175.07545	6.4
176.08229	0.9
177.07059	0.6
177.09010	1.1
178.07730	4.2
179.08369	0.5
181.06427	0.8
189.09109	56.3
190.09480	2.9
191.08466	0.6
192.09251	1.0
193.06490	0.8
193.10138	4.9
194.10406	0.4
195.08105	0.4
197.06003	0.6
202.06140	0.4
202.07797	1.7
203.08563	1.9
205.06421	0.6
206.07280	1.6
207.08058	0.6
209.06013	0.6
210.06747	1.2
211.07545	1.1
212.08382	1.0
219.08098	0.9
220.08813	1.4
221.06140	0.5
221.09616	9.9
222.10136	0.9
223.07582	0.7
224.08377	0.7
225.09076	1.4
231.07999	1.0
234.06755	0.9
235.11137	0.5
237.09056	1.0
238.06090	0.5
238.09808	1.4
239.06863	0.5
241.08542	0.6
249.09105	7.5
250.09570	1.0
253.08539	1.4
253.12218	9.6
254.12428	0.5
263.10623	0.9
266.09329	1.0
267.10135	1.1
269.08026	1.8
272.10416	1.3
281.11719	5.9
282.12314	0.8
284.10355	0.9
285.11237	1.0
295.13028	0.5
298.11987	0.4
313.10861	1.6
313.14301	24.2
314.11319	0.6
314.14526	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	0.4
53.03930	0.5
53.08277	0.4
55.01870	0.7
62.24318	0.3
62.39159	0.4
65.03925	1.9
67.05497	0.5
68.99795	0.6
75.99228	0.4
79.05512	2.2
81.03374	0.5
81.07044	1.4
85.02900	0.5
89.03892	0.5
91.05480	39.7
92.05811	1.3
93.07021	0.5
94.04185	2.9
95.04971	6.7
95.08610	0.8
103.05462	1.9
105.07018	1.5
107.04942	6.2
108.05767	0.5
108.81617	0.4
109.06496	2.2
115.05456	1.5
117.03303	0.4
117.07047	1.1
119.04943	26.7
119.08609	0.5
120.05232	0.4
121.02872	0.9
121.06509	0.9
122.03637	6.9
123.04361	0.5
123.08077	1.4
128.06219	9.9
129.07007	23.7
131.04912	2.6
131.08553	1.0
133.02869	0.4
133.06409	1.9
135.04402	1.7
135.08049	0.6
136.05205	5.1
137.05972	75.6
138.06319	2.0
143.04884	1.4
145.02829	0.4
145.06476	3.0
146.03604	0.7
146.07286	1.1
147.08002	0.9
149.02333	0.7
149.06000	1.5
151.03914	1.3
151.07538	100.0
152.07886	2.9
153.01808	0.7
153.06998	0.8
155.04883	0.5
155.06047	1.3
155.08536	0.7
156.05676	2.4
157.06488	14.9
158.07127	0.8
159.04411	0.7
159.08049	0.7
160.05211	0.8
161.06024	2.6
161.09621	1.8
163.03870	0.8
163.07515	3.0
165.06982	3.5
167.08572	0.4
169.06436	0.8
173.02371	2.2
174.06761	12.8
175.07529	7.1
176.08328	0.7
177.01854	2.7
177.07016	0.5
177.09116	1.5
178.07739	4.3
179.08446	0.8
181.06438	0.9
183.08009	1.1
187.07527	0.6
189.09100	57.4
190.09445	2.5
191.03391	1.1
191.08577	0.8
192.09285	1.1
193.06480	1.5
193.10130	6.4
195.02960	1.1
195.08043	1.2
197.05965	1.5
202.07809	1.7
203.08536	3.1
205.06587	0.8
206.07278	1.6
207.08124	1.0
209.05989	0.9
209.09436	0.8
210.06766	1.4
210.10364	0.9
211.07457	1.9
212.08235	1.0
219.08037	1.2
220.08815	1.3
221.06229	0.7
221.09601	10.3
222.10104	1.1
223.07520	0.9
224.08292	1.2
225.09036	1.3
227.07118	0.5
228.07973	0.4
231.08047	1.2
234.06769	0.9
235.11110	0.9
237.05482	0.8
237.09108	0.5
238.06245	0.8
238.09807	1.4
239.07079	4.4
239.10629	0.4
240.07700	0.8
241.08531	1.2
248.08469	0.6
249.09106	8.8
250.09575	1.1
251.07066	0.5
252.07669	0.5
253.08539	1.0
253.12268	11.4
254.12604	1.1
255.10246	0.5
257.08078	2.1
263.10696	0.9
265.08505	0.5
266.09399	0.8
267.06488	2.7
267.09686	0.4
269.08136	3.2
272.10446	1.7
281.11679	7.0
282.12201	1.0
284.07608	0.5
284.10495	1.8
285.07574	2.8
285.10870	0.8
295.05978	0.6
295.13281	0.6
298.11856	0.6
313.07187	5.1
313.14325	34.7
313.98572	0.4
314.14594	1.6
328.37988	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1433
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
53.03945	0.5
55.01880	0.4
65.03925	2.1
66.17326	0.2
67.05492	0.3
69.20068	1.9
69.58848	0.2
77.03940	0.3
79.05493	2.2
81.03437	0.2
81.07066	1.3
91.05478	39.4
92.05820	0.9
93.07005	0.5
94.04172	2.4
95.04963	7.5
95.08597	0.3
103.05455	2.3
104.14443	0.3
105.03419	0.3
105.07038	1.8
107.04944	3.3
107.08602	0.4
108.05760	0.5
109.06518	2.6
115.05454	2.0
116.06287	0.3
117.07019	1.3
119.04937	25.6
120.05281	0.7
121.06512	1.1
122.03645	6.6
123.04428	0.4
123.08054	1.0
128.06210	8.4
129.06999	23.9
130.07317	0.6
131.04918	2.1
131.08551	1.2
132.05688	0.9
133.06497	1.9
133.10146	0.3
135.04440	0.4
135.08061	0.5
136.04205	0.4
136.05190	5.7
137.05968	70.1
138.06317	2.5
140.13098	0.2
141.06940	0.4
143.04932	0.9
143.08533	0.5
145.06467	2.9
146.07286	1.3
147.08000	0.7
149.06018	1.3
150.06746	0.4
151.07532	100.0
152.07860	3.2
153.06976	0.4
155.06042	1.2
156.05698	1.6
157.06483	14.9
158.07268	1.2
159.04411	0.5
159.08093	0.4
160.05157	0.7
161.05995	1.8
161.09607	1.6
163.07521	3.3
165.06984	2.0
169.06464	0.7
173.06017	0.5
174.06752	14.1
175.07533	6.9
176.08224	0.8
177.09109	0.8
178.07767	4.1
179.08530	0.9
181.06491	0.9
182.07230	0.5
183.07903	0.4
187.07573	0.5
188.08284	0.3
189.09093	56.5
190.09424	2.7
191.08577	0.5
191.10641	0.5
192.09273	1.2
193.06468	1.0
193.10135	5.1
194.07065	0.5
194.10492	0.4
195.08006	0.8
197.05887	0.7
202.07782	1.5
203.08560	2.9
205.06523	0.6
206.07246	1.1
207.08017	1.0
209.05977	0.8
209.09615	0.3
210.06769	1.3
211.07550	0.9
212.08272	0.8
213.09084	0.4
214.06245	0.3
219.08098	0.8
220.08821	1.3
221.06081	0.5
221.09604	10.6
222.06615	0.3
222.10060	0.7
223.07495	1.1
224.08372	0.6
225.09116	1.4
227.06964	0.3
231.07993	1.3
233.06059	0.3
234.06744	0.8
235.07420	0.5
235.11140	0.6
237.09106	0.8
238.06146	0.6
238.09793	1.4
239.06998	0.6
239.10574	0.5
240.07677	0.5
241.08557	1.0
248.08311	0.5
249.09093	7.4
250.09705	0.9
252.07939	0.3
253.08517	1.3
253.12222	10.7
254.12573	0.7
255.06534	0.4
263.10593	0.8
265.08572	0.5
266.09302	0.8
267.09946	0.4
269.08078	3.0
270.08786	0.4
272.10349	1.2
273.88947	0.3
281.11682	7.5
282.12054	0.7
284.10464	1.9
285.11163	0.8
295.12854	0.4
298.11938	0.9
313.14310	34.9
314.14749	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1433
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
52.63463	0.3
53.03947	0.7
55.01856	0.5
59.71292	0.3
65.03941	2.6
67.05500	0.4
67.49281	0.3
69.03432	0.4
69.48824	0.6
69.49249	1.3
70.33128	0.3
77.58293	0.3
79.05502	2.2
79.59573	0.4
80.06258	0.4
81.07045	1.0
91.05480	39.2
92.05794	1.0
94.04193	3.0
95.04364	0.4
95.04964	7.3
103.05441	2.6
105.04576	0.4
105.07013	1.5
105.72746	0.3
107.04955	3.1
108.05730	1.0
109.06534	2.5
115.05462	2.1
117.07025	1.4
119.04948	29.9
120.05281	1.1
121.06499	1.0
122.03647	7.4
123.04427	0.4
123.08055	1.0
128.06218	8.8
129.07008	24.5
130.07317	0.7
131.04950	2.3
131.08549	1.5
132.05727	0.9
133.06473	1.5
135.04350	0.4
135.08040	0.7
136.05200	5.7
137.05975	74.9
138.06325	2.1
140.10286	0.4
143.04921	1.0
143.08495	0.5
145.06471	3.6
146.07236	0.9
147.08026	1.4
149.05975	1.2
151.03918	1.7
151.07539	100.0
152.06151	0.6
152.06783	0.4
152.07884	3.3
155.06062	1.2
156.05746	1.6
157.06491	15.9
158.07094	0.7
159.04401	0.5
159.08064	0.3
160.05188	0.7
161.05971	2.3
161.09604	1.7
162.61133	0.4
163.07552	2.7
165.05710	0.4
165.06972	2.1
167.08551	0.4
169.06512	0.5
173.06004	0.4
174.06769	13.3
175.07544	7.9
176.08244	1.3
177.06897	0.4
177.09111	1.1
178.07790	4.2
179.08548	0.7
181.06477	1.0
189.09100	55.6
190.09389	2.0
191.08578	0.9
191.10608	0.4
192.09322	1.3
193.06499	1.2
193.10135	7.3
195.08002	1.1
197.05927	1.2
202.07784	2.0
203.08568	3.1
205.06474	0.7
206.07301	1.9
207.08080	0.8
209.05891	0.6
210.06725	2.0
211.07501	0.8
212.08331	0.6
219.08089	1.0
220.08817	1.3
221.06064	1.0
221.09616	11.2
222.10052	0.6
223.07571	1.0
224.08246	0.8
225.09099	1.4
231.08043	1.2
234.06683	1.0
235.07550	0.6
235.11136	0.6
237.05373	0.7
237.09108	1.1
238.06131	0.6
238.09912	1.3
239.06978	0.9
239.10555	0.4
241.08583	0.9
249.09111	8.8
250.09651	1.1
252.07921	0.6
253.08575	1.2
253.12238	10.4
254.09163	0.5
254.12448	0.5
263.10776	1.0
266.09421	1.3
267.10168	0.4
269.08054	3.1
270.08691	0.6
272.10284	1.0
281.08646	0.5
281.11758	7.4
282.12256	1.0
284.10394	1.6
285.11093	0.8
295.13062	0.5
298.11865	0.5
301.69925	0.4
313.14325	34.9
314.14664	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.9
51.31649	0.5
53.03947	1.2
55.01876	1.4
57.03433	0.7
65.03948	2.3
65.40699	0.5
66.04723	0.8
67.05512	2.2
69.00774	0.4
69.03429	1.3
70.25303	0.4
70.56700	1.2
70.57018	0.7
71.05000	0.5
79.05483	3.4
81.03424	1.0
81.07043	4.4
83.04985	1.1
85.02918	1.1
91.05478	38.1
92.05818	0.9
94.04186	3.5
95.04980	5.7
95.08622	1.0
97.02872	0.6
103.05453	2.8
105.03374	0.8
105.04510	0.5
105.07023	3.3
107.04951	11.5
107.08572	0.7
108.02099	1.1
109.02863	0.9
109.06503	4.9
109.10178	4.1
111.04464	1.1
115.05456	3.0
116.06189	0.5
117.03321	0.5
117.07007	2.7
118.04210	0.9
119.04940	23.6
119.82541	0.5
121.02834	0.6
121.06508	2.0
122.03651	9.7
123.04441	1.0
123.08085	1.4
123.11695	3.7
124.79780	0.6
128.06218	10.4
129.07004	25.9
130.07330	0.9
131.04926	4.7
131.08588	1.0
133.02841	0.7
133.06453	2.5
134.03629	0.8
135.04387	0.9
135.08070	1.3
136.05215	5.8
137.05971	95.6
138.06291	2.9
141.05449	0.7
141.07022	0.8
143.04910	1.6
145.06468	4.0
146.03607	1.1
146.07272	1.0
147.08064	2.9
149.05978	3.4
150.03098	1.1
151.03928	25.1
151.07535	100.0
152.04149	0.9
152.06233	1.0
152.07892	2.6
154.07822	0.7
156.05701	1.5
157.06490	18.4
158.07129	1.2
159.04385	1.4
159.08017	0.7
160.05205	0.9
161.05960	4.9
161.09615	2.4
163.03857	0.9
163.07562	7.7
165.05469	12.6
165.06993	6.8
166.07693	0.6
167.07166	0.5
167.08534	1.0
168.05748	0.9
169.06477	1.0
173.05994	1.0
174.06757	13.9
175.07550	11.2
176.08171	1.1
177.09085	2.0
178.07770	7.5
179.08427	2.3
181.06416	2.4
182.05460	1.1
182.07242	3.6
183.08020	1.5
187.07512	0.7
189.05582	3.6
189.09100	60.0
190.06068	0.6
190.09454	2.4
191.08553	1.3
191.10385	0.5
192.09326	1.1
193.06454	2.7
193.10136	11.1
194.07224	1.2
194.10347	0.6
195.08043	2.0
196.05174	1.7
197.05952	2.6
197.09578	1.6
199.07376	0.8
202.07741	1.8
203.08624	3.2
205.06496	1.2
206.07271	3.5
207.08020	2.3
207.11787	0.6
209.05984	2.6
209.09644	1.0
210.06750	5.8
210.10443	1.1
211.07541	6.3
212.08150	1.7
219.07997	1.9
220.08736	2.0
221.06270	3.3
221.09602	18.9
222.10080	1.9
223.07529	3.2
224.08264	6.1
225.05539	1.2
225.09084	9.5
226.09596	0.7
227.07008	4.1
227.10536	0.7
231.07976	1.6
234.06737	0.9
235.07465	1.7
235.11119	1.4
237.05368	1.7
237.09012	1.7
238.06189	2.4
238.09882	2.8
239.06929	4.1
239.10565	1.2
240.07635	1.0
241.08604	1.3
242.09407	0.9
248.08302	1.3
249.09105	12.4
250.09576	2.0
251.06960	1.3
252.07777	2.7
253.08556	8.5
253.12190	21.1
254.09111	1.4
254.12610	2.3
255.06485	6.1
255.09883	0.9
257.11700	0.8
263.10657	2.2
266.09283	2.4
267.10043	2.7
269.08133	5.0
269.11008	0.9
270.08887	6.2
271.09436	3.0
272.10394	3.1
280.07523	0.8
280.10739	1.1
281.08044	2.7
281.11682	21.3
282.12143	1.5
283.06094	0.6
283.09528	1.7
284.10388	3.2
285.11218	8.2
286.11679	0.7
295.09601	1.1
295.13104	1.4
298.08243	1.9
298.11804	1.5
313.07120	1.1
313.10611	32.2
313.14258	52.8
314.10971	2.5
314.14487	3.7
314.17572	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1432
Annotation	Engelhardione
Peak:m/z	Relative Intensity
51.84378	0.9
55.01862	1.7
55.05510	4.5
56.13911	1.0
60.33815	1.1
65.03949	1.1
67.05500	8.1
69.03436	2.4
69.07075	7.9
69.30711	4.0
69.31114	2.8
79.05486	1.6
81.07040	3.9
83.08631	2.1
91.05475	4.2
93.07034	4.1
95.04966	2.7
95.08611	24.4
103.05470	1.7
105.07026	3.0
107.08591	3.8
109.06520	3.0
115.05440	1.6
119.08578	2.8
121.06507	1.9
121.10124	1.0
123.04414	2.0
123.08109	5.7
128.06195	1.4
129.06976	2.6
131.04910	2.8
131.08565	2.1
135.08104	1.8
137.05975	14.5
141.06972	4.1
143.04935	1.2
144.05702	1.4
145.06516	1.8
147.11710	1.3
149.05994	3.1
151.07518	4.6
153.05515	1.0
153.06940	1.5
155.04903	4.7
155.06020	1.1
155.08533	3.1
157.06487	3.0
158.07220	1.3
159.07944	1.6
160.05159	1.2
161.05942	4.2
161.09583	1.9
163.07539	2.5
165.07001	5.0
166.07741	3.5
167.08583	1.5
168.09175	1.4
169.06480	3.8
171.04379	1.4
172.05167	2.0
173.05890	1.4
175.07565	5.4
176.04680	2.0
177.05481	4.3
178.07881	1.7
179.08507	2.6
181.06427	2.6
181.10139	9.7
182.07188	1.4
182.10680	1.2
183.04466	6.7
183.08014	5.0
183.11711	2.2
184.05165	1.8
185.05962	3.9
187.07536	12.9
188.08327	2.6
189.05493	10.4
189.09068	5.3
191.07054	7.5
191.08612	1.6
191.10538	1.1
192.09387	6.8
193.06488	1.5
193.10025	2.1
194.07230	2.5
195.04407	1.2
195.08057	6.6
196.05133	2.0
196.08958	1.7
197.05998	7.5
197.09627	3.2
197.13365	1.4
198.06725	2.3
199.07491	2.2
200.04688	2.6
201.05432	4.3
201.09131	11.4
202.07791	2.0
203.06981	4.4
203.08730	1.4
203.10652	3.1
205.04852	1.6
205.08577	1.5
207.11661	7.8
209.06126	1.9
209.09625	28.6
210.06725	4.0
210.10249	3.4
211.03909	8.8
211.07515	12.2
211.11116	2.4
212.04662	3.0
212.08174	3.3
213.05466	4.6
213.09108	3.3
214.06300	2.2
215.06996	10.2
215.10658	4.1
216.07626	1.8
217.08441	2.0
217.10233	1.4
219.06496	13.6
219.08194	1.6
220.08858	6.3
221.05962	2.0
221.09630	4.2
223.07568	2.9
223.11189	1.9
224.08253	3.1
224.11838	1.5
225.05461	6.1
225.09099	9.4
225.12645	5.6
226.06143	1.5
226.09795	6.0
227.07040	3.5
227.10570	2.9
228.04192	1.5
228.07642	1.5
228.11417	1.6
229.04985	2.6
229.08507	6.5
229.12097	1.5
231.06520	2.9
235.11211	12.8
236.11636	1.9
237.09119	11.1
238.09866	8.5
239.07104	5.1
239.10651	6.2
240.07835	2.7
240.11053	1.6
241.08601	2.5
241.12233	30.6
242.05626	1.3
242.09242	1.3
242.12718	2.5
243.02362	1.2
243.06548	28.8
243.10175	2.8
243.13855	4.3
244.07304	7.7
245.07930	4.2
248.08406	3.0
249.08939	1.8
252.11459	4.9
253.08623	4.4
253.12247	12.1
254.09291	2.3
257.08185	9.6
257.10672	1.5
257.15372	3.8
258.08643	1.6
262.09933	2.9
263.10651	10.4
264.11340	1.5
265.08597	4.3
267.13794	14.5
269.04459	3.0
269.11594	3.3
270.08670	2.5
271.09619	3.4
271.13254	9.8
277.12262	4.4
280.10910	4.9
281.11740	15.9
284.02982	2.3
284.15445	1.1
285.14822	26.1
286.15237	1.5
295.09918	1.8
295.13272	32.8
296.13565	2.2
297.03845	3.6
298.04660	3.9
313.07217	12.9
313.11212	3.4
313.14313	100.0
314.14594	8.0
314.20331	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1435
Annotation	Stemofuran I
Peak:m/z	Relative Intensity
53.03948	0.5
55.01870	0.5
58.16120	0.2
63.02384	0.2
65.03938	1.7
66.64594	0.2
67.05492	0.3
69.03454	0.2
71.30812	0.3
77.03934	0.5
79.05494	2.0
81.07063	1.2
85.02921	0.2
91.05483	39.9
92.05837	1.1
93.00926	0.2
93.07094	0.3
94.04182	2.3
95.04971	6.7
103.05473	1.9
105.04530	0.4
105.07037	1.6
107.04952	3.2
108.05770	0.6
109.06528	2.5
115.05440	1.8
116.06263	0.3
116.18752	0.2
117.03340	0.3
117.07008	1.2
119.04947	27.4
119.08547	0.4
120.05286	0.5
121.06500	1.0
122.03655	6.9
123.04465	0.4
123.08065	0.8
127.05495	0.3
128.05260	0.3
128.06224	9.3
129.07008	25.0
130.07236	0.5
131.04948	2.2
131.08565	1.1
132.05716	0.7
133.06474	1.7
134.03618	0.3
135.04385	0.4
135.08044	0.8
136.05202	4.5
137.05980	70.5
138.06306	1.8
141.06982	0.2
143.04938	1.2
143.08655	0.3
144.05701	0.3
145.06493	2.8
146.07251	0.9
147.04451	0.3
147.08037	1.0
149.05957	1.1
150.08035	0.2
151.04121	2.1
151.07542	100.0
152.06160	0.4
152.07893	3.0
153.06998	0.4
155.06010	1.1
156.05714	1.7
157.06493	14.4
158.07106	1.1
159.04424	0.4
159.08018	0.4
160.05190	0.6
161.05951	2.4
161.09583	1.4
163.07541	2.8
165.05603	0.4
165.06975	3.3
165.09081	0.3
167.08537	0.3
169.06483	0.6
173.06032	0.4
174.06769	12.5
175.07552	7.2
176.08142	0.6
177.09122	0.9
178.07756	4.0
179.08510	0.8
181.06450	0.9
182.07318	0.5
187.07568	0.7
189.09106	56.9
190.09442	2.9
191.08594	1.1
191.10646	0.4
192.09337	1.2
193.06483	0.6
193.10135	6.1
194.10493	0.4
195.08070	0.9
196.05075	0.3
197.06020	1.1
197.09686	0.3
198.06718	0.3
202.07713	1.3
203.08556	2.9
204.09386	0.3
205.06522	0.8
206.07268	2.0
207.08005	0.7
209.05919	0.8
209.09564	0.4
210.06743	1.7
210.10460	0.3
211.07590	0.8
212.08284	0.5
213.09081	0.5
219.08122	1.3
220.08836	1.4
221.05945	0.9
221.09613	10.6
222.10129	0.9
223.07562	0.8
224.08308	1.0
225.09120	1.4
226.06041	0.3
227.07208	0.3
231.08041	1.2
234.06679	0.9
235.07529	0.6
235.11192	0.6
237.05362	0.4
237.09041	0.8
238.06224	0.6
238.09819	1.5
239.06960	0.6
239.10815	0.5
240.07666	0.4
241.08533	0.6
248.08235	0.6
248.59946	0.3
249.09100	7.3
250.09698	1.1
251.06993	0.4
252.07803	0.5
253.08636	1.5
253.12230	12.2
254.12628	0.6
255.06355	0.5
263.10687	1.1
265.08517	0.5
266.09351	0.9
267.10269	0.3
269.08047	3.2
270.08777	0.6
272.10486	1.2
281.11719	7.7
282.12289	0.7
283.09280	0.3
284.10455	1.6
285.11038	0.9
295.13171	0.6
298.11963	0.5
313.11023	1.4
313.14322	32.5
314.14694	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1642
Annotation	Thymol glucoside
Peak:m/z	Relative Intensity
53.03938	1.6
55.01873	0.9
55.05508	1.5
57.03430	1.7
57.07060	1.4
61.02931	0.9
65.03938	0.7
67.05504	11.8
69.03428	10.6
69.07053	1.2
71.04987	2.0
73.02882	0.4
79.05490	2.7
81.03416	6.9
81.07056	34.2
82.07391	0.6
83.08626	0.4
85.02902	7.0
87.04459	0.4
89.52515	0.3
89.98785	0.3
91.05480	4.2
93.07045	2.3
95.04958	2.1
95.08607	4.7
97.02885	8.8
99.04445	2.9
101.09674	0.4
105.07050	1.8
107.04941	0.9
107.08590	7.2
109.02879	2.7
109.06522	2.3
109.10153	100.0
110.10516	3.1
111.08083	0.4
111.49610	0.4
115.03899	0.5
119.04906	2.2
119.08581	0.6
120.46224	0.4
121.10129	5.1
122.03657	0.6
123.11706	68.2
124.12040	1.7
127.03913	4.5
128.06197	0.8
129.07037	2.1
133.10158	2.0
136.05226	0.5
137.05975	5.7
138.06433	0.4
145.04948	2.4
149.09581	2.0
151.07538	8.7
151.11174	9.2
152.11456	0.4
157.06487	1.7
167.10695	1.1
169.12236	19.4
170.12589	0.6
174.06700	0.7
178.07762	0.5
189.09122	5.7
217.12146	0.4
221.09631	1.2
231.13750	0.4
239.99174	0.3
249.09079	0.7
253.12302	1.3
261.94574	0.4
277.14429	0.7
277.21780	0.5
281.11752	0.4
295.15488	2.1
313.13739	0.9
313.17017	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26361	0.8
55.05515	9.8
57.03205	1.4
57.03444	19.8
57.07076	63.7
57.85318	1.0
58.07415	1.1
67.05504	12.2
69.07066	13.3
69.29645	5.9
71.05002	1.0
71.08633	40.4
72.08949	0.9
79.05495	2.4
81.07059	19.3
83.04987	1.7
83.08620	14.3
85.06524	1.4
85.10181	22.3
86.10574	0.9
89.06020	2.4
91.05484	1.4
93.07030	2.5
95.08607	24.9
97.10187	5.8
99.11692	1.2
103.07574	2.6
105.07019	2.2
107.08598	3.4
109.10156	12.3
111.11716	2.4
119.08580	1.3
121.10165	1.7
123.11722	4.6
125.13312	1.3
133.10132	1.8
135.11668	1.1
142.39995	1.0
145.10135	2.6
147.11751	1.4
150.16791	0.9
157.10059	1.0
159.11766	1.8
173.13324	1.7
183.11726	1.6
197.09673	1.0
198.06709	1.1
207.49437	1.1
216.54895	1.0
228.45224	0.9
239.23747	4.2
241.05092	2.2
253.04756	1.1
255.06522	1.7
256.07486	1.3
257.24728	7.3
269.04462	1.1
270.08725	1.1
271.67563	1.1
283.06012	2.2
295.24164	1.0
298.07922	1.3
313.07141	2.3
313.10739	5.7
313.21512	3.8
313.27399	100.0
314.07764	8.9
314.13745	2.2
314.27682	7.5
339.78934	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.1
57.03157	1.4
57.03437	25.1
57.07075	77.9
58.07408	1.1
60.08154	1.2
61.45630	0.7
65.97169	0.7
67.05507	14.2
69.07063	14.9
69.11032	6.8
71.08630	50.0
72.08971	0.7
75.04448	1.0
79.05477	2.2
81.07053	22.2
83.04949	1.1
83.08141	1.2
83.08620	17.3
85.06544	0.9
85.10181	28.8
89.06032	5.8
93.07037	2.6
95.08607	31.5
97.06528	1.1
97.10180	8.0
97.82590	0.7
98.23293	1.3
99.08125	1.0
99.11726	1.9
103.07571	3.8
105.07030	1.1
107.08585	2.2
109.10152	15.3
109.58547	0.7
111.08099	0.7
111.11724	1.8
113.13291	0.7
117.09183	0.8
119.08587	1.6
121.10168	1.2
123.11711	4.4
125.13232	1.3
131.08540	1.9
133.10135	1.3
135.11662	0.9
137.13245	2.3
143.08556	1.4
151.14915	0.7
171.11774	0.8
173.13248	1.2
187.17046	1.1
195.08089	1.3
199.14818	1.4
215.17818	0.8
227.36554	0.9
239.23770	4.3
253.08694	1.0
257.24719	8.0
270.08771	0.8
279.51846	0.7
299.09027	1.0
313.06998	3.1
313.10684	3.7
313.21484	4.4
313.27347	100.0
313.36447	5.0
314.11020	1.4
314.14166	0.9
314.27682	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05313	0.7
55.05514	8.1
55.34579	0.7
56.75628	0.8
57.03157	1.0
57.03439	17.1
57.07076	61.9
58.07396	0.9
63.72704	0.9
64.91489	0.8
67.05508	13.2
69.07076	10.5
69.27511	0.8
71.05016	0.9
71.08634	36.4
71.32257	1.1
79.05466	1.2
81.07057	18.1
83.04964	1.0
83.08618	12.9
85.10184	21.3
89.06032	3.2
91.05471	1.0
93.07028	1.5
95.08607	22.7
97.10167	5.3
99.11688	1.2
103.07559	1.5
105.07030	2.0
107.08659	1.4
109.10165	9.5
111.11722	1.1
121.10166	0.9
123.11702	3.6
135.11671	0.8
137.13257	2.0
151.14833	1.3
183.04375	1.0
197.05972	0.9
225.09094	0.8
239.23735	3.3
241.04915	0.9
255.06499	2.5
256.07355	2.4
257.24741	3.4
270.08896	0.9
275.10895	0.8
283.05927	3.1
298.11118	0.9
313.07098	2.1
313.10727	5.3
313.21457	3.1
313.27365	100.0
314.07874	9.3
314.27792	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07610	0.8
55.05510	10.7
57.03440	24.3
57.07077	70.5
58.07400	1.0
60.08146	3.1
66.13442	0.8
67.05502	15.0
69.07066	15.1
69.23340	6.6
71.08630	42.9
79.05487	2.6
81.07053	21.3
83.05001	1.3
83.08615	14.6
85.06561	1.3
85.10181	25.2
89.06022	4.6
91.05482	1.1
93.07062	2.0
95.08606	25.1
97.06548	1.2
97.10178	7.2
98.23016	3.4
99.11767	1.5
103.07588	1.9
105.07034	2.5
107.08602	1.5
109.10146	14.5
111.11733	2.3
119.08588	1.8
121.10123	2.0
123.11704	4.9
129.71866	0.9
133.10126	1.2
135.11702	1.9
137.13220	2.6
143.08554	1.1
145.10173	1.1
151.14850	1.0
159.11725	1.2
165.07030	1.7
166.70119	0.9
167.08488	1.0
173.13208	1.9
179.08588	1.2
181.06541	1.3
182.07233	4.1
195.08026	1.9
197.09605	2.7
199.07484	4.2
200.07686	1.0
210.06755	4.9
211.07436	1.4
223.07487	1.0
224.08348	1.7
225.09128	9.0
226.09508	1.4
227.07086	4.1
238.06187	3.1
239.23718	5.6
240.59940	1.0
242.06091	0.9
242.09392	3.7
251.07083	2.1
252.07797	2.0
253.04701	1.1
253.08543	12.4
254.08911	1.6
255.06586	2.4
257.24734	7.6
267.10199	1.6
270.08820	4.2
270.13892	1.1
281.08173	1.7
283.14944	1.0
284.15402	1.0
285.11108	3.7
298.08206	6.2
313.07019	2.4
313.10620	9.2
313.19379	2.7
313.27365	100.0
313.36539	19.3
314.11044	1.1
314.27679	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.05514	11.1
55.65120	0.5
57.03437	27.5
57.07074	73.2
58.07416	1.7
59.05013	0.6
66.76122	0.5
67.05502	18.1
69.07065	13.9
70.43893	0.5
71.05001	0.6
71.08628	45.2
72.08968	0.8
75.04482	1.0
79.05490	2.7
81.07052	22.8
83.04990	1.2
83.08614	16.0
85.06544	0.9
85.10181	26.0
87.04468	0.7
89.06012	4.0
91.05501	1.7
93.07043	3.7
95.08606	30.5
96.08932	0.8
97.06547	1.5
97.10165	7.2
99.08124	0.6
99.11736	1.9
101.06030	0.5
103.07591	3.4
105.07080	2.3
107.08591	3.9
109.06493	0.6
109.10149	15.7
111.11742	1.7
111.53414	0.5
113.13309	0.7
117.07053	0.6
117.09080	1.2
119.08608	4.2
121.10165	2.8
123.11710	7.3
125.09655	1.1
125.13300	0.9
128.06215	0.6
128.57324	0.5
131.08611	1.2
133.10126	2.9
135.11693	1.2
137.13284	2.3
139.11220	1.1
142.07829	0.5
143.08606	0.8
145.10126	1.5
147.11728	1.6
149.13260	1.1
151.14781	1.0
153.06982	0.6
155.08522	0.8
157.10144	0.9
159.11734	2.7
161.13295	2.5
163.14879	2.1
165.07040	1.0
165.12685	0.6
169.10190	0.8
171.11783	1.6
173.13327	1.2
173.71266	0.8
174.94955	0.5
175.14804	6.0
181.06586	0.8
182.07294	1.8
183.11717	0.7
184.05112	0.6
185.13252	0.8
187.14836	1.7
189.16426	1.2
195.08223	0.5
197.06018	0.6
197.09694	0.8
199.07594	1.4
199.14961	0.9
201.16389	1.0
210.06795	2.2
211.07472	0.8
213.05493	0.7
213.16486	0.6
215.18085	1.2
215.20088	0.5
221.22794	1.0
224.04785	0.5
225.05640	1.0
225.09079	3.7
225.16434	1.4
227.03485	0.7
227.06995	2.8
227.18120	0.7
237.05568	0.6
239.07014	1.1
239.18053	1.3
239.23659	6.0
240.04349	0.7
240.07744	0.6
241.04962	0.8
241.08493	0.5
241.19595	1.2
242.05734	1.2
242.09399	0.6
252.04211	1.0
252.07628	0.8
253.04996	0.9
253.08559	4.3
253.19498	0.8
254.09262	0.7
255.03043	0.8
255.06580	2.1
255.21223	1.7
256.03784	0.8
256.07291	1.0
257.19034	0.5
257.24725	7.5
258.25293	0.8
267.06628	1.8
267.10141	0.6
268.07349	1.2
269.04340	2.4
270.05261	1.8
270.08640	1.2
271.06046	1.6
281.08286	1.2
282.08844	0.8
283.06097	2.1
283.09549	0.7
285.07956	0.9
285.11340	1.8
295.24203	3.6
297.04053	1.8
298.04779	3.0
298.08450	1.8
298.27667	0.9
299.05634	1.0
299.09149	2.0
313.03461	0.7
313.07172	11.7
313.10779	7.3
313.14606	1.8
313.27527	100.0
314.07837	3.2
314.11554	3.0
314.27933	7.6
314.34265	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	0.6
57.11567	0.1
57.37886	0.2
69.52737	0.9
71.08618	0.3
72.19268	0.2
76.65308	0.2
81.07007	0.2
87.66108	0.2
95.08659	0.2
97.26945	0.2
115.05444	0.4
117.48104	0.2
126.04619	0.2
128.06201	0.5
129.06972	0.8
139.05412	2.0
141.06982	1.7
143.04929	0.2
145.06503	0.3
152.06230	0.4
153.06996	0.4
155.04912	5.6
155.06134	0.5
156.05319	0.3
157.06474	3.4
167.04933	2.3
168.05682	1.0
169.06479	3.7
170.07176	0.7
171.04424	0.4
180.05707	0.5
181.06490	1.6
182.03618	0.5
183.04410	11.5
184.05145	2.9
185.05963	4.9
186.06282	0.2
194.03555	0.2
195.04425	1.6
196.05231	1.1
197.05977	8.7
198.03040	0.5
198.06743	9.1
199.03905	0.7
199.07330	0.7
200.04623	0.4
201.05673	0.2
204.60693	0.2
208.05148	0.3
209.05856	0.2
210.03088	1.3
210.06686	0.3
211.03905	6.1
212.04684	5.2
213.05452	8.4
214.05933	0.5
215.03287	0.2
215.07027	0.5
223.03925	1.4
224.04573	1.4
225.05457	5.7
226.00710	0.2
226.02707	1.0
226.06238	4.0
227.03462	1.1
227.06961	2.0
228.04095	1.5
229.05022	0.9
236.04597	0.3
238.02632	0.9
238.06136	0.3
239.03375	1.4
239.06996	0.3
240.04163	10.0
241.04941	22.4
242.05583	2.9
243.06390	0.9
251.03401	5.1
252.04050	0.8
253.04953	3.6
254.02280	0.8
254.05591	0.7
255.06519	18.8
256.03870	0.8
256.07281	24.6
257.04425	0.9
257.07684	1.6
268.03668	4.4
269.04437	11.0
270.05060	1.5
271.05908	0.8
281.04382	1.7
282.05103	0.9
283.06000	28.8
284.06689	9.0
285.03867	0.7
285.07388	0.7
287.05273	0.5
299.05475	2.3
300.06308	4.7
313.27396	0.6
314.07809	100.0
314.27747	0.5
315.08200	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54705	0.2
61.01160	1.3
62.80064	0.2
67.01881	0.3
69.03434	2.1
69.19244	1.0
69.19659	0.7
70.06599	0.6
71.04990	0.3
72.69697	0.2
73.01121	0.2
73.02907	0.4
82.79185	0.2
84.08169	0.3
85.02901	0.9
86.99041	0.3
87.02694	0.3
89.06033	2.0
97.02895	50.1
98.03221	1.0
98.97594	0.6
99.04485	0.2
103.02151	0.3
107.66920	0.2
108.08120	3.9
115.02170	0.3
116.98659	0.4
119.03558	0.9
120.23288	0.2
122.88184	0.3
123.04523	0.3
123.06813	0.3
124.07607	0.5
131.01939	0.2
131.06053	0.2
134.05997	0.6
135.05440	0.5
135.06537	0.7
136.06189	100.0
137.04584	0.6
137.05699	0.4
137.06700	1.4
143.01628	2.6
148.06218	1.1
149.07051	0.3
150.05441	0.2
152.07083	2.4
154.08566	0.3
158.99976	0.3
161.02699	1.7
162.07755	0.5
164.05678	7.6
169.33920	0.2
176.05722	0.3
177.00955	2.1
178.01134	0.3
178.07253	3.4
179.00726	0.3
179.03711	2.6
190.94806	0.2
192.02466	0.3
192.98773	0.3
201.00903	0.4
204.02681	0.2
208.95961	0.3
215.09920	0.3
217.04095	0.2
218.03801	1.0
219.02017	4.9
219.03883	0.3
220.02161	0.7
220.08255	0.6
221.01762	0.3
232.08405	0.3
232.96208	0.3
242.03369	0.3
245.03590	0.3
246.03770	0.2
248.07835	0.7
250.09351	0.7
250.96864	0.3
260.04657	0.9
263.02698	0.2
266.95096	0.3
278.07056	0.7
289.02380	0.3
290.02985	0.2
291.00534	0.5
291.97369	0.6
296.08118	3.5
314.01807	0.3
314.09061	8.7
314.12415	2.7
314.94904	0.4
315.09460	0.7
332.03650	0.3
332.10428	0.5
332.96143	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.3
53.71415	1.1
55.08186	1.3
57.03419	1.4
61.02920	2.6
65.03936	1.8
67.05495	1.9
69.03415	7.3
70.06596	1.5
70.43826	4.4
71.05000	8.3
73.02897	1.6
81.03429	2.8
81.07043	1.7
83.04986	1.8
83.81574	1.3
84.08129	2.1
85.02901	17.5
89.06030	67.2
93.03387	3.7
95.04937	1.9
95.06107	1.7
97.02891	18.8
98.06006	1.5
98.97584	3.2
99.04452	2.5
106.06564	1.3
107.04872	1.2
108.08115	47.1
109.02863	1.6
113.00818	2.9
119.01912	4.6
121.02849	4.7
123.06796	3.2
124.07603	7.4
127.03904	3.4
131.01877	11.2
133.03462	2.4
134.06018	3.8
134.09642	4.3
135.06522	17.9
136.06183	20.0
136.07568	10.1
140.04311	1.3
141.03964	2.0
142.34154	1.3
143.01848	1.6
145.03470	1.7
145.04967	2.2
149.02917	3.5
151.02342	1.3
152.07066	31.0
152.09052	1.9
152.10699	5.4
153.03978	3.2
153.07484	1.2
154.08652	2.4
155.01854	1.5
155.27400	1.4
155.38519	1.2
157.03467	2.4
158.99849	2.7
164.05678	2.1
167.20349	1.2
169.03490	7.1
171.05028	7.2
174.97668	1.6
177.00963	30.1
177.02405	2.0
178.01054	6.3
179.00542	1.6
179.01910	2.6
180.08667	1.7
187.04440	3.5
190.94879	1.7
196.69441	1.5
197.02948	20.0
201.00868	6.9
203.02484	14.6
204.02594	3.5
207.05064	1.6
208.95877	2.0
211.14198	1.8
213.02480	1.4
215.02119	2.0
215.04001	10.4
217.04330	1.4
218.03670	5.5
219.02002	100.0
220.02110	18.6
221.01939	3.5
223.04587	1.9
225.06247	1.2
232.95892	2.5
233.03059	4.6
233.05219	2.7
234.03592	2.5
241.05489	2.2
242.03612	1.7
247.01558	1.7
251.03949	3.6
253.05458	2.6
260.04648	1.9
261.03156	2.8
262.03342	1.3
263.03098	1.4
268.08820	2.0
269.05051	5.8
277.00687	1.9
278.02716	1.9
279.03595	7.7
280.01074	1.6
284.08325	8.0
287.08215	2.0
289.99341	2.2
291.07693	1.5
297.04572	13.8
302.07504	1.7
310.32874	1.3
314.09119	20.5
314.12354	30.5
314.15518	1.8
314.95200	1.8
315.05481	16.3
315.09689	5.7
332.10400	51.0
332.95850	1.7
333.03467	1.5
333.06549	13.4
333.10590	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82096	6.0
54.62140	5.5
55.45534	5.2
55.55425	6.0
69.50990	18.9
69.51399	17.0
101.00867	9.4
119.01907	24.4
121.02863	18.9
127.33472	6.8
131.01958	8.0
136.06187	8.4
137.06035	9.5
164.93483	6.9
169.03474	9.1
171.04950	8.3
197.02936	35.7
198.98511	8.7
213.00143	9.4
215.03940	20.2
221.02985	9.5
251.03967	8.3
257.05090	17.2
275.05981	29.9
279.03503	9.7
297.04611	11.9
315.04919	100.0
315.10397	15.7
333.06613	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0859
Annotation	Coeloginin
Peak:m/z	Relative Intensity
55.26344	0.3
58.84193	0.3
69.52291	0.9
80.43641	0.3
95.08531	0.3
115.05421	0.3
116.06203	0.3
128.06241	1.3
128.78572	0.3
133.10057	0.2
139.05408	0.5
140.06175	1.9
140.62494	0.2
141.07007	1.3
142.07823	0.2
145.06429	0.5
145.10162	0.3
150.58751	0.2
152.06219	2.3
155.04936	1.4
156.05576	0.4
167.04932	0.4
168.05702	4.1
169.06425	1.2
170.07141	0.4
171.04344	0.8
173.06073	0.4
180.05702	3.0
183.04401	3.6
184.05054	0.5
195.04286	0.4
196.05190	3.5
197.05978	2.4
198.06750	2.7
199.03902	1.7
200.04662	0.7
201.05498	0.6
208.05225	1.9
209.02341	0.5
211.01903	0.4
211.03912	8.7
212.04530	1.2
213.05402	1.1
214.06166	0.6
218.02061	0.3
224.04684	2.2
225.05452	3.6
226.06245	18.2
227.03375	2.9
227.06680	1.2
228.04135	0.9
229.04988	1.3
236.04707	5.1
239.03375	11.0
239.06998	0.4
240.03925	1.6
240.07730	0.4
241.04990	1.5
241.08618	0.8
242.02063	2.4
242.05713	1.2
243.02704	0.3
243.06523	0.5
253.04897	1.8
254.05733	52.4
255.02910	0.7
255.06172	3.4
255.10367	0.3
256.03650	2.6
257.04437	38.2
258.04785	2.1
258.27890	0.4
264.04282	0.6
267.03006	0.5
269.04468	0.8
269.07895	1.1
270.05020	0.4
271.05984	8.0
272.06705	2.8
273.03989	0.3
282.05225	16.0
283.02609	0.5
283.05719	1.5
284.03156	0.3
284.10394	1.1
285.03970	7.8
285.07465	0.9
286.04428	0.7
287.09201	0.6
299.05536	1.7
300.06274	45.4
301.06680	2.4
314.34155	3.4
315.08615	100.0
315.34500	1.1
316.08942	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0861
Annotation	Coeloginin
Peak:m/z	Relative Intensity
56.38480	0.4
57.07055	0.7
62.27480	0.3
69.21696	1.9
69.22103	0.6
71.08624	0.6
71.96457	0.3
81.07021	0.5
82.57724	0.3
93.07061	0.5
111.37441	0.3
115.05474	0.3
128.06189	1.0
139.05444	0.6
140.06174	1.9
141.06973	0.8
142.07788	0.4
144.05704	0.4
150.94756	0.4
152.06201	2.9
153.06853	0.4
155.04912	1.5
167.04892	0.4
168.05684	4.5
169.06418	1.2
170.07198	0.4
171.04413	0.8
180.05737	3.2
183.04382	3.9
184.05302	0.5
195.04306	0.5
196.05190	3.0
197.05997	2.1
198.06763	3.2
199.03902	2.0
200.04716	0.8
201.05392	0.8
208.05222	2.0
210.06870	0.4
211.03905	9.3
212.04533	1.5
213.05440	0.9
214.06203	1.1
215.03432	0.6
223.03703	0.3
224.04630	2.1
225.05450	3.7
226.06229	16.8
227.03378	2.0
227.06621	0.7
228.04042	1.1
229.04938	1.6
231.11755	0.5
236.04678	5.6
237.05150	0.4
239.03371	10.7
240.03905	1.3
241.04861	1.3
242.02097	2.2
242.05745	0.9
253.04910	1.9
254.05731	52.3
255.03070	0.7
255.06134	4.2
256.03687	2.6
257.04440	38.7
258.04858	2.4
264.04156	0.7
267.02646	0.6
269.04306	0.6
271.06006	8.0
272.06659	3.1
273.03802	0.7
282.05200	15.8
282.08337	0.8
283.02267	0.8
283.05624	2.0
285.03943	7.5
285.06705	0.3
286.04474	0.5
287.09137	0.4
299.05511	1.5
300.06274	45.7
301.06641	3.2
314.27679	1.1
314.34106	2.1
315.08600	100.0
315.34415	0.8
316.08917	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0861
Annotation	Coeloginin
Peak:m/z	Relative Intensity
55.05490	0.5
57.03418	0.8
57.07067	2.0
57.74635	0.3
58.07386	0.5
58.85431	0.3
67.05492	0.6
69.07063	0.6
69.23096	2.4
71.08622	0.9
72.08935	0.5
81.07055	0.8
83.08601	0.6
85.10191	0.8
95.08597	1.8
96.08963	0.4
98.23380	0.7
100.63654	0.4
102.19903	0.4
103.05451	0.4
109.10120	0.9
119.08560	0.6
121.10134	0.4
128.06197	1.1
139.05437	0.9
140.06224	2.2
141.06961	0.8
142.07872	0.4
145.06491	0.4
147.11671	0.4
149.13306	0.4
152.06224	4.2
153.93620	0.3
155.04907	1.3
156.05618	0.4
167.04906	0.6
168.05687	5.1
169.06461	1.4
171.04350	0.5
180.05710	4.5
183.04439	4.5
184.05157	0.6
186.03151	0.6
191.10609	0.3
195.04366	0.5
196.05193	3.7
197.02223	0.5
197.05963	2.2
198.06754	3.6
199.03880	2.1
201.05377	0.6
208.05212	2.9
211.01904	0.7
211.03889	10.9
212.04526	1.1
212.07423	0.4
213.05353	0.6
214.02734	0.5
214.06262	1.1
224.04680	2.9
225.05405	3.7
226.06229	21.3
227.03371	1.9
227.06647	1.1
227.09558	0.4
228.04132	0.6
229.04947	2.0
236.04688	8.1
237.05142	0.8
239.03374	11.1
240.04039	1.0
241.04999	1.0
242.02052	1.3
242.05678	1.1
252.04074	0.3
253.04945	1.4
254.05731	44.8
255.06104	2.8
255.08987	0.7
256.03680	2.7
257.04437	31.6
258.04819	2.0
264.04306	0.7
267.02774	0.6
270.05057	0.5
271.05994	7.1
272.06720	2.6
282.05222	11.5
283.02353	1.0
283.05710	1.1
285.03928	7.4
286.04388	0.4
299.05582	0.8
300.06259	46.9
301.06671	3.1
314.27728	2.2
315.08600	100.0
315.23138	1.0
315.27942	0.9
316.08960	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0863
Annotation	5,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
71.30728	0.2
75.05519	0.1
93.07015	0.3
103.05459	0.3
105.07005	0.2
115.05440	0.3
119.08576	0.2
128.06195	0.7
131.04926	0.4
139.05417	0.5
140.06215	1.7
141.06953	0.7
142.07698	0.2
143.04897	0.3
145.06395	0.2
152.06239	1.1
153.06908	0.2
155.04895	0.8
157.06465	0.2
157.10100	0.2
160.84973	0.2
167.04871	0.5
168.05701	3.9
169.06506	1.0
170.07246	0.3
171.04417	0.6
173.05934	0.3
180.05701	0.9
181.02838	0.4
183.04427	2.4
184.04970	0.2
185.05939	0.3
186.03116	0.3
187.03973	0.2
195.04373	0.4
196.05170	2.2
197.02412	0.3
197.05960	1.6
198.06740	1.1
199.03941	1.7
200.04640	0.9
201.05359	0.4
208.05179	0.6
209.02252	0.8
210.03093	0.2
211.03905	4.1
212.04578	0.7
213.05530	0.9
214.02588	0.3
214.06163	1.0
215.03246	0.3
223.03775	0.3
224.04616	1.0
225.05450	1.5
226.02802	0.3
226.06229	6.7
227.03381	3.5
227.06721	0.4
228.04033	0.7
229.04887	1.1
236.04686	1.6
239.03383	12.7
240.03860	0.9
241.04974	1.2
242.02103	4.1
242.05782	1.2
243.02380	0.2
243.06425	0.3
244.03648	0.2
253.04932	1.6
254.05730	61.7
255.02901	1.0
255.06117	3.8
256.03632	1.8
256.06195	0.2
257.04431	46.8
258.04825	2.0
267.02850	0.8
269.04391	0.5
270.05200	0.4
271.05997	5.9
272.06763	1.8
273.03976	1.3
281.04495	0.2
282.05209	22.5
283.02573	0.3
283.05630	1.4
285.03918	9.7
286.04385	0.6
293.07483	0.2
299.05396	0.7
300.06271	36.7
301.06589	2.4
315.08600	100.0
316.08960	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0861
Annotation	Coeloginin
Peak:m/z	Relative Intensity
68.80493	0.3
69.39719	1.0
69.40130	1.1
73.44739	0.3
76.85764	0.4
82.68272	0.3
115.05420	0.4
128.06180	1.5
139.05371	0.6
140.06204	2.3
141.06993	1.0
142.07765	0.5
143.04904	0.5
145.18066	0.3
150.70859	0.4
152.06198	4.3
153.06940	0.3
155.04889	1.2
156.05643	0.7
159.04387	0.4
168.05707	5.7
169.06462	1.5
170.07246	0.4
171.04384	0.7
180.05679	5.1
181.06407	0.4
182.03525	0.5
183.04414	5.3
184.05154	0.5
185.06041	0.4
196.05222	4.0
197.05945	2.8
198.06750	3.4
199.03926	2.5
199.16037	0.3
201.05405	0.6
208.05191	2.8
211.03903	10.7
212.04517	1.4
213.05470	0.7
214.02649	0.4
214.06245	1.2
224.04671	3.1
225.05469	4.3
226.06247	22.5
227.03416	2.6
227.06657	1.3
228.04079	0.8
229.04901	1.6
236.04671	8.0
239.03381	11.6
240.04057	0.9
241.04904	1.4
242.02054	1.4
242.05653	0.8
253.04996	1.4
254.05742	44.6
255.06221	2.4
256.03693	3.0
256.06232	0.4
256.07269	0.4
257.04446	32.8
258.04749	1.8
264.04282	1.0
267.02789	0.6
270.05167	0.5
271.05988	8.6
272.06818	2.8
282.05228	10.3
282.08362	0.5
283.02536	0.7
283.05383	0.7
285.03937	5.9
287.09125	0.7
299.05560	0.7
300.06277	47.7
301.06607	3.2
315.08615	100.0
316.08972	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0862
Annotation	Coeloginin
Peak:m/z	Relative Intensity
60.14890	0.3
66.26276	0.3
69.62220	1.3
70.06564	0.3
75.68195	0.3
79.05466	0.4
87.67820	0.3
95.08572	0.3
97.06533	0.3
102.99702	0.3
107.08529	0.4
107.80762	0.3
115.05434	0.4
115.43101	0.3
116.06207	0.3
121.32436	0.3
128.06229	1.8
135.11661	1.0
139.05431	0.7
140.06213	2.5
141.06976	1.1
152.06207	3.8
155.04883	1.1
167.05003	0.4
168.05721	4.2
169.06488	1.3
170.07243	0.3
171.04361	0.4
180.05701	4.6
181.06367	0.4
182.03609	0.4
183.04453	5.6
184.05035	0.5
185.06039	0.4
186.03127	0.4
195.04428	0.5
196.05190	3.4
197.05991	2.8
198.06740	3.9
199.03941	2.0
200.04686	0.7
201.05411	0.8
208.05212	3.3
210.06760	0.3
211.03906	12.2
212.04480	1.2
213.05437	1.0
214.02629	0.3
214.06287	1.5
224.04662	3.2
225.05446	4.9
226.06245	24.1
227.03404	2.3
227.06648	1.5
228.04152	1.1
229.03043	0.3
229.04968	1.7
236.04700	8.3
237.05157	0.3
239.03381	11.3
240.04073	1.2
240.07693	0.3
241.04964	1.0
242.02147	1.6
242.05719	1.3
243.06419	0.4
253.04988	1.2
254.05740	47.1
255.03246	0.5
255.06049	3.0
256.03635	3.3
257.04443	33.5
258.04858	1.6
264.04132	1.1
267.02875	0.7
271.06030	7.7
271.08954	0.4
272.06729	3.4
282.05231	11.3
283.02386	0.7
283.05396	0.5
285.03909	6.6
299.05466	1.3
300.06284	47.7
301.06631	3.1
315.08621	100.0
315.22971	1.7
316.08987	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1048
Annotation	S,S,S,-TRIBUTYLPHOSPHOROTRITHIOATE
Peak:m/z	Relative Intensity
55.93504	0.3
63.37463	0.4
69.03395	0.5
69.22314	2.7
69.92587	0.3
69.93813	0.4
79.05476	0.7
85.02880	0.6
97.02893	0.7
97.06505	0.4
98.22619	0.8
107.04936	0.8
111.04436	0.5
115.45959	0.4
122.07185	0.4
127.03914	0.5
130.86235	0.4
153.05325	1.7
153.06476	0.5
171.06560	0.4
183.54872	0.4
185.04178	1.0
224.90218	0.3
297.06882	0.3
315.10486	100.0
316.10690	4.7
316.13763	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1227
Annotation	6-Methoxyhomopterocarpin
Peak:m/z	Relative Intensity
50.10006	0.6
53.03928	0.8
55.01850	2.0
55.05487	3.2
57.03428	1.4
61.02921	0.8
61.10116	0.7
67.05483	1.2
69.03448	3.3
69.07040	1.3
69.52834	4.4
71.05003	3.3
73.02905	1.6
73.85730	0.7
79.05469	2.3
81.03373	1.2
81.07042	2.8
81.76406	0.8
83.04958	2.3
85.02927	3.3
88.77016	0.7
91.05487	4.2
93.07027	2.0
94.03512	0.7
95.04963	1.9
95.08596	1.7
97.02906	1.5
98.22659	0.9
103.03928	1.2
103.05479	4.1
105.07040	6.7
107.04926	1.5
107.08625	4.5
109.06482	2.4
109.10149	0.9
111.04466	0.8
115.03893	0.7
115.05436	2.2
117.03372	1.7
117.07030	1.7
118.04185	3.3
119.04966	0.9
119.08567	2.5
121.06497	1.1
121.10110	1.0
123.04403	2.6
123.08038	1.3
123.11687	0.8
128.06203	1.4
129.07001	0.9
130.04102	0.8
131.04936	13.8
131.08539	2.3
133.05011	0.8
133.06436	2.1
133.10149	1.0
135.08005	1.3
135.11673	2.8
137.05981	4.4
137.09662	0.6
141.06982	0.9
142.59354	0.6
143.08566	1.5
145.06509	1.3
145.10135	2.2
146.03636	15.6
147.04396	2.0
147.08014	2.9
147.11664	1.6
148.05156	0.8
149.09639	1.0
151.07529	1.6
151.11067	0.7
152.06219	6.3
153.05444	1.5
153.06903	1.4
153.12790	1.2
155.08508	0.8
157.15269	0.7
159.04366	1.0
159.07994	0.8
161.05986	42.8
162.06413	1.2
163.03883	1.5
163.07568	1.7
163.11223	1.1
165.07013	11.8
165.12775	4.3
166.07780	4.6
167.07182	1.1
167.08562	10.0
169.06433	3.0
171.11618	0.8
175.07509	1.2
176.04662	1.9
176.06215	3.6
177.05536	1.2
177.06993	8.3
177.08427	1.3
177.12804	0.8
178.07620	1.0
180.05688	3.1
181.06505	5.3
182.07147	0.8
183.08003	2.4
191.07025	8.8
193.06456	4.0
193.12262	0.9
194.07286	8.6
195.08055	25.5
196.08224	0.8
197.05968	7.1
198.06541	0.9
205.06404	3.4
206.07172	0.8
207.08034	0.8
208.05199	3.8
209.06030	3.6
210.06718	3.4
211.07535	5.5
211.09270	0.8
212.08257	3.4
212.94472	0.7
221.05975	5.3
222.06778	9.9
223.07556	27.3
224.08289	6.8
225.05475	7.9
225.09090	2.5
226.06210	0.9
226.60381	0.7
227.10580	1.2
231.13791	1.0
236.04707	2.6
237.05519	1.4
237.09131	11.6
238.06187	0.8
239.07021	5.0
240.07814	17.3
241.08601	4.4
243.13763	1.1
250.06204	1.7
251.07039	9.7
252.07637	2.1
253.05000	2.0
253.08658	2.8
254.09302	3.3
255.10173	37.9
256.10455	1.7
257.08054	1.5
261.14764	1.2
265.08597	9.2
267.06580	2.1
268.07324	5.1
269.08090	9.2
270.08521	0.9
271.09552	1.0
282.08835	1.4
283.09656	100.0
284.10223	12.4
285.07690	3.7
285.10641	0.9
297.11411	1.1
297.16998	1.5
300.09869	4.6
315.12265	59.9
316.12497	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	2.1
69.03423	0.8
70.06567	0.7
71.28902	0.5
71.29265	0.6
79.05499	1.7
81.03416	0.7
81.07042	0.8
84.08118	0.5
85.02905	1.6
86.09686	0.7
95.08582	0.8
97.02872	0.8
104.83717	0.4
105.07037	0.6
107.04958	2.8
107.08514	0.6
121.02853	0.8
123.04419	1.3
123.08044	0.5
127.03964	0.5
135.04411	1.6
136.07594	0.4
137.05994	1.3
145.04875	0.5
147.04430	0.6
153.05486	1.7
163.03931	1.7
168.98093	1.7
186.99205	2.9
195.02911	0.9
216.09656	0.5
223.07320	0.6
239.02313	0.9
257.03363	0.6
283.09769	0.5
315.14127	100.0
316.14429	5.4
329.14075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1589
Annotation	isobacteriochlorin
Peak:m/z	Relative Intensity
53.03937	2.4
55.01869	3.6
55.05503	4.4
65.03934	4.3
67.05506	29.1
69.03436	6.1
69.07054	6.7
71.01347	3.9
71.31440	2.0
79.05064	1.5
79.05495	16.9
81.07056	33.8
83.04991	1.9
83.08591	1.4
91.05480	25.2
93.07055	14.3
95.04967	25.3
95.08612	25.0
96.20056	1.2
97.06528	4.7
98.60732	1.2
98.97619	1.7
99.41708	1.3
103.05448	2.3
105.03381	1.5
105.04491	1.7
105.07031	41.1
107.04957	2.2
107.08595	17.7
109.06519	57.4
109.10158	1.1
110.06841	1.5
111.08083	9.0
115.05484	5.4
116.06237	2.8
117.07022	10.4
119.04944	2.2
119.08578	14.3
121.06513	5.1
121.10149	3.6
123.04398	1.2
123.08067	6.3
128.06244	6.7
129.07002	18.5
130.07813	3.5
131.04913	1.8
131.08568	81.3
132.08855	1.1
133.06465	3.8
133.10132	10.8
135.08063	7.4
137.05981	3.5
141.06984	6.6
142.07784	5.6
143.08572	22.2
145.06468	4.1
145.10109	21.2
147.08046	7.9
147.11688	3.0
149.05981	2.1
149.09576	4.3
151.07542	1.7
153.06972	5.3
155.08553	96.4
156.09042	4.8
157.06505	2.5
157.10130	16.2
158.07330	2.0
159.08069	8.6
159.11711	3.7
160.08795	1.3
161.05977	2.9
161.09598	5.8
163.07523	1.5
165.07007	4.3
166.07787	2.8
167.08516	6.9
168.09262	2.4
169.10109	7.6
170.07222	1.4
170.10812	1.5
171.08054	3.4
171.11652	9.8
173.09627	26.4
174.10199	3.8
175.07570	3.0
175.11235	4.1
177.09142	1.6
179.08499	5.6
180.09331	2.3
181.10149	12.8
181.24718	1.4
182.10962	2.1
183.08072	2.8
183.11696	5.9
184.08870	1.8
185.09634	7.6
185.13275	4.5
186.10295	1.3
187.11165	2.0
189.09065	1.4
191.08537	1.7
192.09401	1.8
193.10193	6.8
194.10933	2.7
195.08069	2.6
195.11665	7.5
196.12502	1.9
197.13284	3.7
198.14055	2.0
199.11150	8.7
199.14775	6.2
201.09090	2.0
201.12823	1.7
207.08044	1.5
207.11696	3.5
208.12526	3.9
209.09648	3.6
209.13228	4.2
211.11180	3.3
211.14882	1.3
213.09088	1.2
213.12744	4.9
213.16347	8.7
217.16107	1.4
218.10881	2.4
223.14798	9.6
225.12811	1.8
227.10732	1.7
227.14319	5.6
233.13272	9.0
237.12755	3.0
241.15855	66.1
242.16200	5.0
251.14322	5.9
255.10127	2.2
255.13779	3.4
259.17029	1.5
269.15393	10.9
279.13818	3.5
283.09543	2.6
287.16699	1.9
296.50095	1.3
297.14859	15.4
315.08563	3.1
315.15912	100.0
316.16333	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1592
Annotation	isobacteriochlorin
Peak:m/z	Relative Intensity
55.01870	3.8
55.05500	4.4
57.99110	2.9
65.03933	4.0
67.05510	28.0
67.88973	2.5
69.03432	4.3
69.07069	4.5
69.26415	6.6
69.26817	16.5
70.30946	2.5
71.01369	3.9
79.05501	18.5
81.07063	32.7
85.06580	4.0
91.05486	30.0
93.07033	11.0
95.04973	28.3
95.08621	26.3
97.06506	5.8
98.97571	5.7
105.07041	42.7
107.04929	6.4
107.08602	22.8
109.06527	49.5
111.08038	6.1
115.05434	3.9
116.06286	3.1
116.98608	4.1
117.06992	11.1
119.08568	11.3
121.06511	6.2
121.10160	5.8
123.08060	6.8
124.05648	2.9
128.06189	6.9
129.07011	15.6
131.08577	64.2
133.06490	3.5
133.10114	10.8
135.08026	7.9
137.05946	4.1
141.06969	6.1
142.07762	10.2
143.08614	15.1
145.06581	3.2
145.10112	27.0
147.08031	11.0
147.11697	5.9
149.09671	3.0
151.07442	3.6
153.07027	6.5
154.07845	3.4
155.08557	85.4
157.10162	17.6
159.08067	7.0
159.11710	4.1
161.09605	6.4
165.06990	8.4
167.08521	6.5
169.10100	9.2
169.11761	2.9
171.07996	4.1
171.11684	8.5
173.09634	21.5
175.11098	3.9
181.10202	14.0
183.08003	2.9
183.11639	7.2
185.13309	4.0
193.10132	8.2
195.07997	4.2
195.11685	9.8
197.05885	3.4
197.13347	3.4
198.13994	4.3
199.11229	6.1
199.14758	6.9
203.08656	3.2
207.11726	3.6
208.12471	4.6
212.04742	3.2
213.16389	5.7
223.14809	6.1
233.13242	4.4
237.09102	3.6
241.15894	58.9
242.16312	3.7
250.66568	3.0
251.14323	8.3
269.15393	8.4
283.06229	5.2
283.09650	7.9
285.03928	5.6
285.07593	4.0
297.14841	14.9
300.06274	13.9
315.08328	8.6
315.12204	8.0
315.15854	100.0
315.19559	5.7
316.16284	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	7.1
55.05507	10.4
57.03442	4.8
57.07064	3.9
67.05493	17.5
69.03421	16.9
69.07075	20.3
70.67571	11.0
71.04975	5.5
73.02924	7.1
73.46654	3.9
79.05482	13.3
81.03402	5.2
81.07055	100.0
83.04972	4.6
85.02902	23.1
89.01244	3.5
91.05482	13.9
92.18197	4.9
93.07048	36.7
95.04970	10.1
95.08598	32.3
95.14352	4.1
97.02908	8.9
103.05461	3.9
105.07034	21.3
106.04330	4.9
107.08591	31.7
109.06516	8.1
109.10154	6.4
111.04480	4.3
119.08578	11.8
120.05720	6.6
121.06511	4.7
121.10195	6.7
123.11690	13.1
131.08574	5.4
133.04909	5.6
133.10167	4.0
135.11699	17.4
137.05977	7.8
137.13251	11.0
143.08543	6.5
145.10097	10.2
151.11185	10.5
153.12711	6.2
159.08035	4.7
159.11629	5.5
163.07541	36.4
165.07039	5.3
165.12770	11.0
169.10034	4.3
191.07072	12.3
194.56308	3.7
195.02861	7.2
195.11716	6.5
195.13849	4.5
201.12834	4.7
219.13840	5.9
231.13689	5.9
261.15091	4.1
279.16238	5.1
283.09521	5.8
297.11334	6.5
297.17007	4.4
315.05142	7.0
315.08655	9.2
315.12396	11.0
315.19440	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88427	1.6
53.03951	2.2
55.01871	2.1
55.05499	3.7
57.03425	3.4
57.07077	2.7
57.56519	1.8
61.02924	1.7
65.03983	1.7
67.05504	11.1
69.03432	5.4
69.07074	12.6
70.19160	3.1
70.19523	3.7
73.02911	2.2
79.05489	13.4
81.03413	3.3
81.07055	100.0
83.05014	1.9
85.02908	10.2
91.05498	7.3
93.07050	14.8
95.04937	1.9
95.08605	24.5
97.02916	4.2
99.04465	2.3
105.07056	5.2
107.08600	11.5
109.02884	1.8
109.10181	4.7
113.58482	1.9
117.07027	2.5
119.08561	2.8
121.10151	2.8
125.13248	2.3
127.03889	2.5
131.08540	3.0
133.04955	1.7
135.08051	2.8
135.11671	13.7
137.05960	4.4
137.13274	14.7
151.11053	1.9
153.12729	2.8
163.11208	2.0
231.13867	2.1
279.15982	2.0
297.11722	1.6
297.16940	4.1
315.04922	1.9
315.12469	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.18
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52748	5.2
53.03952	9.2
55.01868	25.0
55.05513	44.5
57.03443	29.1
59.05014	5.6
61.02924	11.3
65.03930	5.8
67.05499	14.9
67.44810	4.3
69.03439	39.5
69.07060	28.3
70.29711	13.2
71.01354	12.1
71.04990	63.8
73.02893	24.5
79.05494	23.8
80.36625	4.3
81.03421	13.4
81.07063	44.5
83.04996	9.9
83.08618	6.7
85.02902	70.1
91.05486	43.1
93.07025	55.2
95.04966	18.3
95.08588	29.3
97.02876	25.1
97.06542	7.9
103.03955	9.6
103.05509	5.2
105.07027	60.6
107.04971	10.0
107.08600	58.1
109.02883	5.7
109.06522	33.5
109.10159	15.1
111.04479	7.3
111.08065	6.2
115.03935	18.0
117.07022	16.1
119.08569	65.6
121.06500	18.5
121.10145	15.9
123.04448	13.6
123.08070	33.1
123.11736	5.3
127.03918	11.6
128.06195	8.4
129.05466	12.1
129.06998	10.7
130.07811	5.7
131.08594	30.8
133.04999	26.3
133.06519	5.5
133.10120	11.4
135.08086	12.6
135.11699	19.4
137.05984	17.2
137.09592	9.1
139.11195	6.7
141.57361	4.2
143.08586	20.4
143.65059	4.5
145.10124	24.1
147.08054	34.4
147.11659	10.3
149.09627	18.3
151.07564	7.1
151.11182	18.0
153.12758	12.4
155.08585	6.9
159.08086	11.6
159.11719	17.0
161.09621	8.8
161.13217	6.1
163.07555	7.2
163.11136	19.5
165.12755	100.0
171.08081	8.8
173.09612	30.7
173.13300	9.3
175.11221	4.7
177.12772	29.5
183.08006	5.3
183.11659	6.1
189.12743	13.5
191.10657	10.1
193.12213	6.3
200.29768	4.4
201.12740	7.2
207.13731	5.3
215.14290	5.7
219.13881	14.4
231.13716	9.1
239.86943	4.8
243.13899	6.7
250.19118	5.0
261.14886	10.5
265.08585	14.0
267.10556	5.0
279.15866	16.4
283.09641	7.9
297.11298	18.6
297.16904	12.2
315.09348	4.4
315.13745	18.3
315.17932	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37761	4.8
52.81795	4.4
55.01876	29.4
55.05516	46.9
57.03441	29.6
59.04995	9.4
61.02928	21.3
67.05502	13.4
69.03432	40.0
69.07074	24.2
71.01374	9.7
71.04998	63.1
71.29939	7.2
73.02933	34.7
74.90585	5.0
79.05502	22.7
81.03419	15.7
81.06658	5.3
81.07066	34.6
83.04980	4.8
83.08678	5.2
85.02909	68.4
85.06565	5.1
91.05489	48.4
93.07056	46.9
95.04977	22.1
95.08590	24.2
97.02893	30.9
97.06529	10.1
99.04447	6.9
103.03936	12.9
105.07040	66.6
107.08591	54.1
109.02869	5.8
109.06528	35.1
109.10172	13.6
111.04428	7.8
111.08127	6.6
115.03945	20.7
115.05462	5.6
117.07038	16.4
119.08597	68.5
121.06532	11.6
121.10134	10.6
123.04390	6.6
123.08060	31.4
123.11774	5.5
127.03938	9.9
129.05502	6.8
129.07024	6.2
130.07826	9.3
131.08588	25.0
133.04984	32.8
133.06520	11.9
133.10123	8.8
135.08035	10.2
135.09169	5.4
135.11713	24.2
137.05925	11.5
137.09613	13.3
138.16705	5.6
139.11147	9.0
143.08559	21.2
145.04953	8.6
145.10120	28.1
147.08057	33.2
147.11719	11.2
149.09674	12.0
151.07541	8.5
151.11192	19.1
153.12785	13.6
157.10249	7.3
159.08057	15.3
159.11691	14.2
161.09630	8.0
163.07617	7.1
163.11171	19.0
165.07034	6.5
165.12769	100.0
171.11720	9.3
173.09605	27.9
173.13284	14.3
175.07571	12.1
175.11168	6.2
177.12761	26.4
183.08038	10.3
189.12769	20.9
191.10713	11.5
193.06537	6.4
193.08424	5.5
194.07312	15.3
195.02890	6.0
201.12727	9.8
207.13782	6.5
219.13770	11.8
221.05991	6.5
222.06789	9.9
231.13727	12.1
237.09331	9.0
243.13770	7.3
250.06255	5.4
255.11288	9.4
261.14996	18.9
265.08679	16.2
279.15948	15.9
285.11261	13.8
297.11282	14.3
297.16901	11.5
315.04901	6.6
315.14001	70.8
315.17996	14.7
328.85156	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	7.5
55.01870	18.4
55.05507	25.6
57.03434	23.3
61.02917	7.8
67.05504	24.8
69.03428	42.1
69.07069	24.9
69.15166	48.5
71.01354	7.5
71.04998	30.6
73.02921	13.8
73.63940	4.9
78.95289	5.9
79.05499	39.7
81.03403	28.8
81.07057	71.0
83.04980	19.1
85.02914	74.8
85.06529	6.6
87.04452	7.3
91.05483	49.6
91.56011	5.3
93.07044	100.0
95.04977	24.3
95.08614	43.8
97.02878	29.1
97.06564	8.5
99.04466	9.7
103.03963	10.9
105.07037	56.0
106.31937	5.8
107.04973	8.0
107.08598	86.8
109.02872	13.6
109.06516	36.9
109.10152	31.7
111.04440	7.8
111.08064	10.7
115.03934	7.1
117.07042	19.6
119.08572	53.8
121.06521	20.2
121.10148	24.1
123.04433	23.6
123.08067	19.2
127.03977	14.2
129.05481	11.3
129.06953	9.0
131.08571	26.8
133.05008	6.9
133.06447	5.8
133.10117	26.6
135.08051	14.2
135.11694	68.9
137.06024	11.2
137.09636	14.1
137.13254	8.8
143.08562	10.4
145.04956	9.1
145.06458	6.4
145.10126	26.2
147.08034	27.9
147.11703	27.3
149.09630	12.4
151.07555	10.6
151.11197	19.0
153.12750	31.1
157.10101	16.2
159.08060	7.7
159.11688	27.5
161.09615	10.9
161.13290	11.3
163.07623	7.6
163.11243	19.1
165.07054	5.4
165.12756	43.9
167.07188	6.5
169.10135	7.3
171.11685	7.6
173.09628	14.2
173.13277	8.2
177.12741	17.8
181.12302	11.3
183.11673	9.1
185.13361	6.0
189.12816	13.5
193.12254	11.5
195.02898	27.9
201.12755	13.0
215.14470	5.9
219.13812	12.1
231.13872	18.3
239.07040	8.8
243.13744	8.4
261.14932	24.0
265.08606	8.7
269.07864	6.0
279.15884	25.5
297.16898	15.6
315.04959	22.1
315.08664	9.1
315.12708	8.7
315.18326	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.18
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47911	4.2
50.67559	4.1
53.03946	6.0
55.01872	23.9
55.05510	47.8
57.03442	34.4
59.05010	6.5
61.02920	20.5
65.03982	5.6
67.05503	23.6
69.03429	50.3
69.07063	36.3
71.01344	11.8
71.04984	53.0
73.02911	22.1
73.94720	4.8
79.05504	40.0
81.03420	29.7
81.07053	59.3
83.04971	13.7
83.08665	5.1
85.02426	6.5
85.02905	81.8
91.05477	59.0
93.07038	76.9
95.04945	28.3
95.08601	42.0
97.02871	31.2
97.06534	17.3
99.04430	5.3
101.02344	6.1
103.03895	7.4
103.05496	5.4
105.07021	90.5
107.04954	25.4
107.08586	80.2
109.02863	8.7
109.06515	43.6
109.10177	33.3
109.30118	5.0
111.04420	11.0
111.08075	12.5
115.03930	14.1
117.07013	18.6
119.04969	8.1
119.08591	61.0
121.06523	17.9
121.10138	23.1
123.04420	27.1
123.08061	27.8
123.11679	12.0
127.03921	14.3
128.06238	12.5
129.05481	8.4
129.07016	10.7
130.07811	6.3
131.04968	4.9
131.08589	38.7
133.04967	32.0
133.06485	9.7
133.10136	25.1
135.04396	9.2
135.08081	13.9
135.11687	35.6
137.06018	13.6
137.09627	22.2
139.11133	5.8
143.08545	20.5
145.10118	31.8
147.04382	9.8
147.08055	21.9
147.11633	13.0
149.05952	8.0
149.09598	10.2
149.13211	6.2
151.07556	14.7
151.11174	22.4
153.05443	9.7
153.12735	20.4
159.08041	12.8
159.11702	20.9
161.06000	5.8
161.09621	14.9
163.03917	21.4
163.07516	6.8
163.11180	20.9
165.05524	6.2
165.12750	85.7
167.08638	8.6
171.08018	7.0
171.11673	6.9
173.09651	19.0
173.13322	7.4
174.10086	5.0
175.07561	8.5
177.05449	5.1
177.09048	5.1
177.12785	23.4
179.10738	5.9
181.12199	31.1
187.07695	4.9
187.11227	8.1
189.12773	12.7
191.07030	5.1
191.10820	8.6
194.07245	6.7
195.13826	16.6
201.12791	13.4
207.13693	7.5
208.49208	5.5
210.03012	13.0
219.13756	22.8
223.07507	8.2
231.13791	18.5
243.13739	9.3
249.15050	7.6
261.14844	17.7
265.08530	6.8
269.07895	7.0
273.36124	5.0
279.15857	14.0
297.07831	5.8
297.11224	9.3
297.16910	16.0
315.04922	20.1
315.08447	14.1
315.14072	100.0
315.17975	27.7
316.14185	9.2
330.33508	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2318
Annotation	14-methyl-all-trans-retinoic acid
Peak:m/z	Relative Intensity
50.13431	1.0
53.03938	2.5
53.59373	1.1
55.05511	7.4
67.05498	11.9
69.07060	5.0
71.04986	1.8
71.28777	1.2
71.29118	1.3
78.55784	1.1
79.05495	10.7
81.03421	1.9
81.07056	24.2
83.08622	3.3
85.06555	2.0
91.05478	13.1
93.06469	1.9
93.07038	27.7
95.04964	2.3
95.08607	50.4
96.08952	1.7
97.06545	2.2
97.10167	3.0
101.94466	1.1
103.05476	1.2
105.07036	21.7
107.04974	1.2
107.08591	16.9
109.06526	3.1
109.10147	14.2
115.05402	1.1
117.07016	5.3
119.08583	19.1
121.06486	2.6
121.10138	27.6
123.08060	2.4
123.11727	6.6
128.06238	2.2
129.07007	4.2
131.08551	13.2
133.06583	1.3
133.10112	12.7
135.11676	10.3
137.05951	1.3
137.09607	3.2
137.13231	1.1
139.07448	1.7
141.06932	2.1
142.07796	2.0
143.08510	8.2
145.10110	13.1
147.08047	2.4
147.11665	7.9
149.09648	4.1
149.13237	11.2
155.08536	4.6
157.10117	9.5
158.10934	1.3
159.11703	8.6
161.09656	3.0
161.13257	4.6
163.14835	2.7
165.07103	1.6
165.12721	1.4
167.08563	2.2
168.09230	1.3
169.10133	3.2
171.11691	6.5
173.09587	3.9
173.13254	14.0
174.04872	1.1
175.11205	1.6
175.14822	13.0
181.10095	2.2
183.11679	7.6
185.13258	4.8
187.11227	1.9
187.14771	3.0
189.12665	1.4
189.16321	1.4
195.08148	1.2
195.11688	2.6
196.12454	1.2
197.13222	3.5
199.11201	1.1
199.14851	5.8
201.12788	5.4
201.16302	6.3
209.13293	5.0
211.14806	1.9
213.16316	3.5
215.14223	1.6
215.18011	1.4
219.13799	7.2
220.50101	1.2
223.14822	3.9
227.14369	2.1
227.17874	1.7
233.15253	2.2
237.16383	2.3
239.18057	2.5
241.19511	2.9
245.15343	2.5
253.19476	2.3
255.21054	1.9
259.16925	2.5
269.22629	3.5
279.21124	13.5
283.09470	1.7
297.18732	2.4
297.22028	17.6
298.22113	1.7
315.20142	3.7
315.23172	100.0
316.23303	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2319
Annotation	Longithorone J
Peak:m/z	Relative Intensity
53.03940	0.8
55.01865	0.6
55.05515	2.7
57.07067	1.2
65.03941	0.5
67.05184	0.7
67.05510	8.8
69.07072	3.0
71.04983	1.4
79.05495	9.5
80.33823	0.5
81.07056	11.5
83.04987	6.0
83.08604	0.5
85.06547	0.9
87.04477	2.9
88.07629	0.5
91.05477	6.5
93.07043	15.2
94.25850	0.5
95.04952	1.1
95.08603	16.1
97.06533	14.7
97.10172	0.9
98.23377	0.9
102.09148	0.5
105.07030	11.5
107.04967	1.3
107.08594	12.6
109.06519	6.7
109.10152	6.0
110.18800	0.5
117.07013	2.4
119.04953	0.5
119.08588	9.6
120.08858	0.5
121.06496	2.2
121.10138	5.6
123.08063	3.6
123.11697	3.3
128.06232	0.6
129.06972	2.2
131.08563	5.7
133.06467	2.3
133.10135	7.5
133.25386	0.5
135.08109	1.2
135.11690	48.3
136.12016	1.2
137.09619	1.2
137.13286	0.5
141.06979	1.1
142.07758	1.3
143.08554	3.7
145.06360	0.5
145.10115	5.8
146.07269	0.6
147.08049	4.1
147.11699	1.5
149.09630	4.2
149.13252	1.5
155.08549	2.6
156.09258	0.5
157.10127	5.3
158.07318	0.6
159.08035	2.2
159.11694	3.1
161.09624	9.9
161.13254	14.7
161.14566	1.1
162.13629	0.7
163.11188	4.3
169.10139	2.4
171.11702	3.1
173.09618	11.3
173.13251	2.7
175.11185	9.4
175.14767	2.3
177.12740	0.7
179.14262	3.2
181.10103	1.2
183.11693	3.4
185.09706	0.8
185.13177	1.1
187.11198	1.9
187.14786	1.2
189.12787	0.9
195.11711	1.2
197.13298	2.2
199.11116	0.6
199.14828	0.9
201.12852	2.7
201.16388	2.0
209.13235	1.6
209.24809	0.5
210.14011	0.5
213.12796	1.2
213.16405	1.7
214.13524	1.1
215.14354	0.9
215.17931	1.1
223.14868	0.9
227.14330	1.9
227.18027	0.5
229.15921	0.6
239.17957	3.5
241.15823	1.1
253.15668	0.6
253.19540	2.1
254.05760	0.6
255.17339	0.7
256.26398	0.9
257.13263	0.7
268.18222	1.2
271.20612	4.4
272.20969	0.6
279.21103	2.7
282.20212	0.5
297.22107	21.6
298.22437	2.0
300.06274	1.1
315.23187	100.0
316.23514	7.6
316.28424	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.088
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41147	34.4
69.47060	7.6
76.74263	9.7
78.82380	7.4
93.03407	11.8
101.00890	20.9
119.01919	79.6
120.63723	9.0
121.02889	40.9
126.40975	7.9
137.02992	21.5
145.03555	12.7
169.03432	11.3
177.01007	27.6
179.00639	9.1
197.02945	20.2
203.02528	43.0
204.02681	8.1
205.64703	8.0
211.04611	14.5
219.02016	13.2
220.02235	21.2
221.03246	15.3
239.04086	9.9
246.03673	9.2
247.01555	10.6
257.05139	45.4
275.06097	100.0
292.04428	8.6
292.93149	10.0
317.01917	23.4
334.05362	23.5
335.05203	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02216	0.3
54.26620	0.3
55.01870	0.4
55.53249	0.2
57.03424	0.4
57.07073	0.2
57.89133	0.2
58.14230	0.2
68.67870	0.3
68.99780	0.5
69.05445	1.7
69.12122	0.3
105.07015	0.6
110.09676	0.6
115.05462	0.6
128.06245	0.5
129.07030	0.4
131.04973	0.3
135.64119	0.3
139.05412	0.9
141.06999	3.1
144.05687	0.6
145.06422	0.3
152.06197	0.4
153.07018	0.7
155.04909	4.4
157.06465	1.3
162.03114	2.3
167.04924	1.8
168.05681	0.8
169.06487	5.7
170.03745	0.4
170.06860	0.3
171.04340	0.6
172.05170	1.0
173.05957	0.6
181.06473	0.7
182.03665	0.5
182.07260	2.8
183.04413	8.3
184.05118	1.5
185.05994	2.1
187.03825	0.8
187.07594	0.5
189.05522	0.7
195.04408	1.2
196.05214	1.4
197.05963	12.2
198.03128	0.5
198.06670	2.0
199.03885	1.2
199.07536	1.9
200.04695	5.0
201.05428	1.0
201.15170	0.3
202.06232	0.9
203.07106	0.5
209.05910	0.5
210.03123	0.5
210.06744	0.6
211.03877	2.9
212.04649	3.4
212.08282	0.4
213.05453	5.6
213.08925	0.5
214.02596	0.4
214.06169	1.2
215.03415	1.2
215.07025	5.7
216.04158	0.4
217.04878	0.5
223.03818	0.5
224.04633	4.2
225.05464	9.7
226.02609	1.2
226.06160	2.2
227.03450	4.6
227.06981	5.2
228.04161	5.9
228.07681	0.9
229.04932	5.3
229.08426	0.5
230.05745	2.8
237.05397	0.6
238.06270	1.3
239.03372	0.5
240.04153	3.0
240.07874	0.4
241.04950	18.2
241.08733	0.8
242.05714	9.7
242.09393	2.7
243.02945	1.3
243.06508	13.1
244.07057	0.8
245.08124	0.7
251.03386	0.6
252.04102	0.8
253.04970	2.4
254.05646	0.7
255.03113	0.6
255.06491	11.8
256.03674	3.3
256.07269	4.1
257.04428	3.1
257.07990	1.0
258.05209	6.3
258.08499	1.8
259.05811	0.6
266.05710	2.1
267.06381	0.5
268.03619	0.7
268.07306	0.4
269.04465	3.5
270.05222	8.7
270.08765	0.9
271.05981	12.9
272.06647	1.3
273.07599	5.4
273.10562	0.3
274.07935	0.5
283.05988	15.5
284.06686	3.4
285.07593	23.3
285.11124	3.1
286.04721	9.5
286.08231	5.0
287.05386	3.8
287.08826	0.5
288.07626	0.3
301.07108	31.9
301.10675	4.6
302.07803	18.8
302.10620	0.5
315.34396	0.3
316.09418	100.0
316.12912	8.0
317.09811	7.6
317.13513	0.6
331.10385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34333	0.4
53.03934	0.5
55.01862	0.9
57.03426	1.2
61.02928	2.2
67.05493	0.9
68.37508	0.4
69.03423	3.9
71.04987	0.5
71.19468	0.8
72.08155	0.6
73.02908	0.7
79.05492	1.4
80.05015	0.5
81.03403	1.5
81.07063	4.5
82.06579	2.6
83.05021	0.5
85.02907	7.6
86.09727	2.2
87.04458	0.7
91.03954	0.8
91.05493	4.3
93.05780	2.6
93.07050	1.7
94.06576	1.1
95.04971	1.0
96.08128	1.6
97.02910	4.3
99.04456	1.2
105.07076	0.4
107.04987	1.0
108.08119	27.7
109.02856	1.4
109.06506	1.5
109.08440	0.8
113.97867	0.4
118.06544	0.7
120.08171	0.5
122.05980	0.6
123.06831	1.6
124.07594	20.6
125.07954	0.7
126.09180	0.5
127.03915	1.8
129.07053	0.4
135.06790	0.4
136.07578	13.6
137.05978	2.8
138.09196	0.6
139.03944	0.5
145.04977	1.0
150.09027	0.5
151.07468	0.5
153.09218	0.5
154.08630	100.0
155.06891	2.5
155.08990	3.8
155.73639	0.4
165.05434	0.4
166.08669	1.9
172.09735	0.5
173.43729	0.4
178.08679	1.0
185.04236	2.3
196.09729	1.0
196.70314	0.5
199.18039	0.8
203.05287	0.9
211.07414	0.5
270.11493	0.6
271.10757	0.6
287.10208	1.4
299.09970	1.4
316.14294	4.0
316.17685	1.2
317.06403	0.8
317.12033	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48792	6.9
57.56160	5.6
73.51805	5.9
74.92461	5.7
85.02886	10.6
86.09706	7.2
101.00883	19.5
107.27988	7.8
112.42966	6.4
119.01942	28.7
121.02855	7.1
131.01892	11.0
133.03427	9.4
137.05975	21.5
138.05505	20.4
138.06395	15.0
143.01938	7.8
147.92294	6.7
155.01849	8.0
156.06563	9.7
157.03520	7.8
161.03032	10.8
177.00883	8.3
179.00752	7.4
199.02678	9.4
215.07635	9.3
219.02058	19.0
221.01706	10.5
221.05128	10.9
222.01920	18.2
257.01389	8.8
257.05185	13.8
259.06732	15.5
275.02878	7.3
275.06302	15.9
276.06406	13.9
293.03696	8.0
317.05969	100.0
317.11972	17.6
335.10489	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0634
Annotation	(-)-Arborescidine B
Peak:m/z	Relative Intensity
62.94762	6.0
66.45137	6.2
71.25539	6.6
71.29761	10.4
73.05983	5.6
82.99867	6.9
85.02885	7.5
100.90929	6.1
101.00865	39.9
105.30618	6.3
105.80141	7.0
119.01908	60.6
120.02031	10.1
121.02866	40.5
157.03467	9.2
169.03519	11.7
171.05063	11.3
179.01949	11.2
183.05092	7.6
195.05060	16.3
197.02994	27.3
203.02032	10.3
209.03012	7.2
210.86220	7.1
211.04565	15.1
221.02966	33.9
221.04997	13.1
222.03163	8.2
239.04001	16.5
257.05084	35.7
258.05270	10.1
275.06097	73.1
276.06314	22.9
293.66919	7.4
317.06055	100.0
317.12061	14.5
335.06302	7.2
336.65231	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Milimorin
Peak:m/z	Relative Intensity
65.03939	0.8
67.05488	0.2
68.01060	0.2
68.99790	0.6
69.03404	0.3
79.05502	0.3
81.07056	0.2
85.58523	0.3
89.34951	0.2
91.05463	0.4
92.02625	4.3
93.03406	3.3
98.23349	0.5
100.86986	0.2
103.05474	0.5
105.07044	0.3
107.08530	0.3
109.02888	0.4
111.00789	0.6
120.04475	0.3
121.02872	2.7
121.06481	0.4
123.04432	0.8
126.03114	1.1
131.04974	0.3
137.02350	0.8
137.05927	0.7
139.03923	2.2
147.04364	0.5
151.03908	1.8
152.01010	0.2
153.01826	20.4
154.02124	0.5
155.04945	0.3
159.04433	0.2
161.05963	0.3
163.03871	0.4
164.06934	0.3
165.01848	1.3
165.05475	0.7
166.02605	0.4
167.64212	0.2
172.05211	0.3
173.05960	0.3
177.01978	0.3
177.05449	0.6
179.03418	0.4
183.04388	0.3
187.03897	0.5
189.05528	0.4
190.06245	0.4
200.04669	0.8
201.05466	1.9
203.03386	2.0
211.03873	0.3
215.07074	0.3
216.79430	0.3
217.04950	4.1
218.05730	1.3
219.02831	0.6
228.04155	4.1
229.04947	8.7
230.05382	0.4
231.02922	1.4
232.03667	0.5
245.04436	5.0
246.05214	4.4
247.05846	0.3
256.03610	0.5
257.04440	5.1
260.03128	0.8
261.07614	0.5
271.06018	0.3
273.03891	4.2
274.04718	8.1
275.05057	0.5
284.03101	1.1
285.03909	9.5
286.04456	0.9
287.01883	0.3
288.06296	0.5
301.03436	0.6
302.04199	22.7
303.04590	1.6
317.06543	100.0
318.06891	6.4
322.30371	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Carajuflavone
Peak:m/z	Relative Intensity
55.01859	0.3
60.00061	0.2
61.02933	0.4
65.03945	1.1
68.99792	0.3
69.03416	1.2
79.05498	0.3
80.81013	0.2
81.03426	0.3
81.07052	6.5
85.02898	4.4
91.05440	0.3
92.02622	3.6
93.03408	3.1
93.07029	0.4
95.04938	0.4
95.08614	0.6
97.02920	0.6
98.22537	0.5
100.72181	0.2
105.07046	0.4
109.02870	0.5
111.00786	0.3
111.14573	0.2
120.02124	0.3
121.02868	2.5
122.91980	0.2
126.03149	1.1
127.03954	1.0
129.05489	0.3
129.06972	0.3
131.04924	0.5
133.02888	0.3
137.02364	0.7
137.05949	0.5
137.13268	3.1
139.03882	1.7
143.04984	0.2
145.04939	1.3
145.06541	0.3
151.03932	1.4
151.04977	0.3
151.07574	0.3
152.01009	0.3
153.01823	19.0
154.02168	0.8
155.04889	0.6
157.06453	0.4
163.06046	0.7
165.01825	1.3
166.02638	0.3
168.05705	0.3
169.06425	0.3
169.98274	0.3
170.02151	0.3
171.04408	0.3
172.05168	0.4
173.05951	0.6
177.05461	0.5
179.03403	0.3
183.02985	0.4
183.04482	0.7
185.06018	1.0
189.05470	0.3
195.04503	0.5
196.05240	0.3
197.06020	0.8
199.03944	0.5
200.04730	1.0
201.05493	1.9
203.03380	1.6
204.04181	0.4
206.41795	0.2
211.03944	0.6
212.04865	0.3
213.05463	2.5
214.06281	0.3
215.03470	0.3
215.07077	0.4
216.04221	0.7
217.04948	3.5
218.05721	1.2
219.02907	1.1
224.04662	0.3
225.05447	0.5
226.02684	0.3
226.06114	0.5
227.03255	0.4
228.04155	4.8
228.07738	0.3
229.04941	8.3
230.05464	0.6
231.02951	1.1
231.06516	0.4
233.04503	0.3
238.06223	0.3
239.03444	0.3
239.07031	0.3
241.04938	5.4
241.07349	0.4
242.05638	1.0
243.06453	2.4
244.03644	1.9
245.04430	5.0
246.05225	3.5
253.05032	0.8
256.03683	0.8
256.07251	2.9
257.04443	5.0
257.08203	0.9
258.04977	0.7
259.03143	0.5
259.05997	7.8
260.03268	0.7
260.06586	0.5
261.07758	0.3
269.04330	1.1
270.05188	0.3
271.03409	0.4
271.05969	2.0
272.03067	0.3
272.06897	0.4
273.03928	4.3
273.07089	0.5
274.04730	8.0
274.07776	0.3
275.04996	0.6
275.09341	0.3
284.03189	1.3
284.06793	1.9
285.03973	7.8
285.07516	1.5
286.04553	0.4
287.02362	0.3
287.05521	5.4
287.09088	0.7
288.06244	1.2
299.09161	0.4
301.03693	0.5
301.07156	0.3
302.04248	24.9
302.07806	7.3
303.04666	1.6
303.08612	3.8
317.06586	100.0
317.10156	12.9
318.06937	6.9
318.10956	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
62.64387	0.2
65.03937	0.8
67.01871	0.2
68.99784	0.6
81.25055	0.2
92.02628	3.6
93.03410	2.7
93.64189	0.2
94.23073	0.2
95.49591	0.2
99.72568	0.2
107.04964	1.9
111.00799	0.5
121.02875	2.5
122.03651	0.4
126.03140	1.3
131.04900	0.3
133.02841	0.3
137.02354	0.6
139.03883	1.3
145.06474	0.4
147.04343	0.2
149.02399	0.2
150.03107	0.3
151.03925	1.4
152.01019	0.3
153.01822	17.6
154.02138	0.4
155.04941	0.3
163.03920	0.4
165.01808	1.1
165.05508	0.2
166.02573	0.4
172.05173	0.2
173.05975	0.4
177.05469	0.6
179.03368	0.3
183.02928	0.4
183.04407	0.3
190.06258	0.2
192.04118	0.2
200.04694	0.9
201.05440	1.6
203.03366	1.7
204.04317	0.3
211.05974	0.2
217.04962	4.1
218.05733	1.2
219.02878	0.7
228.04146	3.6
229.04961	7.7
230.05524	0.4
231.02945	1.2
232.03508	0.3
233.04381	0.2
243.06499	0.2
245.04454	4.2
246.05232	3.4
256.03760	0.7
257.04434	4.9
258.05023	0.2
260.03131	0.8
261.07648	0.5
271.06122	0.4
273.03922	3.6
274.04727	7.2
275.04999	0.3
284.03229	1.0
285.03928	8.0
286.04416	0.6
287.01489	0.3
288.06320	0.2
298.54572	0.2
301.03409	0.4
302.04193	21.9
303.04630	1.1
317.06537	100.0
318.06866	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
52.76274	0.2
62.57027	0.2
65.03936	1.0
68.99776	0.4
70.12759	0.2
70.66870	0.5
70.67215	0.3
82.85284	0.2
87.26424	0.2
92.02613	4.0
93.03406	3.2
107.43587	0.2
108.49915	0.2
111.00800	0.4
121.02866	2.5
122.03692	0.3
124.01535	0.2
126.03130	1.0
131.79825	0.2
137.02328	0.6
139.03943	1.4
149.02342	0.4
151.03943	1.1
152.00992	0.2
152.26421	0.2
153.01822	19.9
154.02135	0.6
155.04953	0.3
161.05896	0.3
163.03781	0.3
165.01894	1.1
166.02620	0.3
173.06004	0.7
177.05426	0.4
179.03403	0.4
183.02829	0.4
183.04385	0.5
187.03844	0.3
189.05576	0.3
200.04741	0.9
201.05475	1.9
203.03377	2.0
217.04962	3.8
218.05672	1.4
219.02937	1.0
228.04182	4.3
229.04958	8.1
230.05440	0.3
231.02907	1.3
232.03706	0.2
233.04512	0.3
245.04448	4.2
246.05217	4.3
247.05643	0.3
256.03622	0.5
257.04413	4.3
257.06967	0.4
260.03119	0.7
261.07498	0.5
271.05939	0.5
273.03934	3.7
274.04703	6.7
275.05203	0.4
284.03217	0.8
285.03922	8.3
286.04446	0.5
287.01828	0.5
288.06244	0.5
301.03464	0.4
302.04196	21.8
303.04556	1.1
317.06534	100.0
318.06903	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69331	0.1
53.99261	0.1
61.28374	0.1
62.84192	0.2
65.03932	0.9
68.99780	0.7
69.03427	0.2
69.32861	0.8
77.36520	0.1
81.07067	0.9
82.79962	0.1
85.02906	0.2
89.15420	0.1
90.98605	0.1
91.05476	0.2
92.02625	3.6
93.03407	3.2
94.26504	0.1
95.04979	0.2
95.08598	0.5
98.23338	0.2
100.05141	0.1
105.07031	0.2
107.04961	3.2
109.02869	0.3
111.00810	0.4
112.47495	0.1
116.04500	0.1
117.07040	0.3
118.41866	0.1
119.08611	0.1
120.41862	0.1
121.02073	0.2
121.02869	2.5
121.06487	0.1
122.03677	0.4
123.04411	0.3
124.01550	0.1
126.03140	1.2
131.04906	0.2
133.02817	0.2
137.02348	0.8
137.05978	0.3
137.13255	1.7
139.03909	1.7
145.06525	0.3
147.04330	0.1
150.03091	0.2
151.03908	1.8
151.05049	0.3
152.01118	0.2
153.01830	20.3
154.02225	0.5
155.04842	0.3
159.04437	0.2
161.06020	0.2
163.03893	0.5
165.01828	1.2
165.05496	0.2
166.02592	0.5
172.05229	0.2
173.05994	0.6
176.04745	0.2
177.01965	0.2
177.05418	0.3
179.03401	0.4
181.01434	0.2
183.02869	0.4
183.04410	0.5
187.03891	0.4
189.05547	0.3
190.06226	0.3
193.04880	0.1
200.04663	0.8
201.05486	2.0
202.05966	0.1
203.03368	1.8
204.04141	0.4
205.13889	0.1
211.03925	0.3
211.05992	0.4
215.03389	0.2
217.04965	3.3
218.05746	1.7
219.02908	0.9
227.03319	0.2
228.04170	4.4
229.04961	7.9
230.05345	0.4
231.02875	1.6
232.03616	0.4
233.04433	0.2
239.03362	0.2
243.06433	0.4
245.04449	4.6
246.05237	4.5
247.02303	0.2
247.05702	0.3
256.03674	0.4
257.04449	5.1
258.05038	0.4
260.03180	1.0
261.03830	0.2
261.07516	0.5
271.06046	0.4
273.03934	4.0
274.04709	7.9
275.05054	0.3
284.03168	0.9
285.03940	8.5
286.04309	0.5
287.01859	0.3
288.06238	0.3
299.09045	0.2
301.03546	0.4
302.04205	24.1
303.04538	1.2
317.06543	100.0
318.06903	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
53.94309	0.2
54.64505	0.1
62.16925	0.1
62.26456	0.2
65.03940	0.8
67.01891	0.2
68.99804	0.5
69.72759	0.2
70.77106	0.4
73.85239	0.2
92.02621	3.6
93.03404	2.8
95.60979	0.2
105.07039	0.4
107.04943	0.3
107.08527	0.2
109.02888	0.4
111.00793	0.2
120.02100	0.2
121.02869	2.4
121.03683	0.2
122.03691	0.2
123.04451	0.3
124.01611	0.2
126.03136	1.2
131.04974	0.4
133.02853	0.5
135.04491	0.2
137.02347	0.7
137.06039	0.3
139.03896	1.7
145.06538	0.3
147.04437	0.3
150.03110	0.3
151.03911	1.7
151.07605	0.2
152.01006	0.2
153.01819	19.4
154.02209	0.7
155.04961	0.3
161.06000	0.2
163.03896	0.4
163.07507	0.2
165.01846	1.2
166.02580	0.4
170.02087	0.4
173.05989	0.4
173.08382	0.2
175.03456	0.2
177.05498	0.6
179.03386	0.4
183.02930	0.3
183.04402	0.3
187.03955	0.4
189.05481	0.3
190.06261	0.2
192.04202	0.2
200.04721	0.7
201.05452	1.8
203.03386	2.0
204.04204	0.2
217.04955	3.2
218.05620	1.2
219.02863	0.6
225.09122	0.4
227.03638	0.2
228.04164	3.6
229.04950	8.4
230.05391	0.5
231.02879	1.2
232.03571	0.4
239.03290	0.2
241.05026	0.2
243.06529	0.5
245.04445	4.2
246.05202	3.2
256.03757	0.7
257.04440	5.0
257.11804	0.4
258.05066	0.3
259.02271	0.3
260.03171	0.7
261.07562	0.5
271.05954	0.4
273.03903	3.2
274.04694	8.0
275.05072	0.5
276.78812	0.2
284.03076	0.9
285.03918	8.2
285.10925	0.3
286.04376	0.8
287.01895	0.3
288.06241	0.3
299.05417	0.2
299.09061	0.2
301.03409	0.6
302.04199	24.7
303.04520	1.6
317.06537	100.0
318.06882	6.2
318.10657	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90153	0.2
65.03957	0.7
67.01875	0.2
67.05522	0.2
68.99489	0.2
68.99821	0.7
69.03444	0.2
69.07083	0.3
69.15323	0.4
69.15720	1.4
81.07069	0.5
87.87745	0.2
91.05502	0.3
92.02618	3.4
93.03411	3.4
93.03965	0.2
93.07064	0.4
95.05013	0.3
95.08658	0.2
105.07053	0.4
107.08564	0.3
109.02887	0.3
109.10138	0.2
111.00818	0.6
117.07036	0.2
121.02871	2.3
121.06495	0.2
121.10154	0.3
122.03663	0.4
123.04468	0.4
124.05266	0.2
126.03120	1.2
126.94765	0.2
131.04919	0.3
131.08607	0.2
135.04459	0.2
135.08089	0.2
137.02332	0.8
137.05959	0.4
137.53293	0.2
139.03885	1.2
145.02817	0.2
145.06488	0.2
145.10144	0.4
147.04466	0.3
150.03148	0.3
151.03941	1.7
152.01077	0.3
152.04381	0.2
153.01823	19.4
154.02223	0.5
155.04903	0.3
161.06001	0.4
163.03949	0.5
165.01845	1.3
165.05457	0.3
166.02628	0.4
167.07085	0.4
172.05157	0.2
173.06001	0.6
175.07596	0.2
177.05450	0.5
179.03444	0.4
183.02925	0.5
183.04419	0.3
187.03896	0.5
189.05479	0.3
190.06291	0.3
192.04126	0.2
200.04633	1.1
201.05505	2.0
203.03383	2.0
204.04095	0.3
205.04926	0.2
205.13043	0.2
217.04950	3.5
218.05751	1.6
218.21115	0.2
219.02936	0.7
228.04147	4.2
229.04951	6.4
230.05365	0.3
231.02928	1.3
232.03627	0.2
241.05095	0.5
243.06526	0.6
245.04466	4.2
246.05243	3.6
247.05585	0.3
256.03625	0.5
256.07431	0.3
257.04456	4.1
258.05045	0.2
259.02579	0.2
259.06046	0.5
260.03195	1.0
261.07605	0.6
271.06076	0.7
273.03928	3.8
274.04706	7.5
275.04962	0.4
284.03119	0.8
285.03928	6.7
286.04474	0.5
287.01846	0.3
287.05463	0.2
288.06244	0.3
299.05688	0.3
301.03488	0.6
302.04205	24.1
303.04514	1.2
317.06540	100.0
318.06897	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66394	0.2
65.03938	0.9
65.53259	0.2
67.05497	0.2
68.99792	0.4
69.03442	0.4
69.07056	0.2
71.30574	0.3
76.97994	0.2
77.35220	0.2
79.05473	0.3
79.41424	0.2
81.07053	0.8
81.20892	0.2
82.04195	0.2
85.02908	0.7
91.05493	0.3
92.02629	3.4
93.03408	3.4
93.07021	0.3
95.04982	0.2
95.08595	0.8
105.07012	0.3
107.04977	1.1
108.02071	0.2
111.00793	0.3
115.05491	0.2
120.02122	0.2
121.02860	2.2
121.06534	0.3
122.03655	0.3
123.04419	0.8
124.01583	0.3
126.03172	1.1
126.10761	0.2
131.04855	0.3
133.02893	0.2
137.02356	0.7
137.05997	0.6
137.13268	0.9
139.03912	1.6
139.07471	0.2
139.11249	0.2
145.06564	0.4
147.04436	0.7
149.02336	0.3
151.03923	1.5
153.01828	18.2
154.02156	0.3
161.05954	0.3
163.03906	0.7
165.01842	1.0
165.05479	0.6
166.02560	0.4
173.05965	0.5
177.05482	0.4
179.03381	0.3
183.02933	0.3
185.13353	0.3
189.05472	0.3
190.06190	0.2
200.04684	0.7
201.05472	1.7
203.03404	1.6
204.04300	0.3
217.04953	3.3
218.05765	0.9
219.02936	0.8
228.04147	3.8
228.07591	0.2
229.04945	7.6
229.08707	0.6
230.05336	0.4
231.02919	1.1
239.03326	0.2
243.06609	0.4
245.04477	3.5
246.05206	3.9
247.20532	0.2
256.03781	0.5
257.04425	5.6
257.08200	0.5
258.05072	0.4
260.03125	0.7
261.07706	0.5
271.06061	0.3
273.03946	3.4
274.04718	6.8
275.05200	0.3
284.03195	1.0
285.03940	8.0
285.11096	0.3
286.04431	0.9
287.01865	0.3
288.06357	0.4
299.08997	0.4
301.03354	0.5
302.04205	22.0
303.04443	1.3
317.06555	100.0
318.06921	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29510	0.2
55.01886	0.2
55.05524	0.3
65.03929	0.8
67.05515	0.5
68.99485	0.2
68.99817	0.6
69.03436	0.4
69.07085	0.2
69.20348	1.2
71.05023	0.2
79.05503	0.4
81.03424	0.3
81.07052	0.8
83.04990	0.2
85.02943	0.3
89.37977	0.1
91.05501	0.5
92.02633	3.1
93.03411	2.8
93.07051	0.7
94.04218	0.2
95.04979	0.4
95.08633	0.6
98.19321	0.2
103.05460	0.2
105.07037	0.7
107.04936	0.2
107.08622	0.7
109.02885	0.2
109.06554	0.2
109.10175	0.6
111.00835	0.3
111.04478	0.2
115.05434	0.2
117.07049	0.3
119.04970	0.2
119.08607	0.6
120.95490	0.1
121.02864	2.1
121.06441	0.2
121.10162	0.4
122.03692	0.2
123.04467	0.5
126.03138	1.1
126.62140	0.2
129.07021	0.2
131.04900	0.3
131.08572	0.4
133.06587	0.2
133.10170	0.5
135.08069	0.3
135.11723	0.3
137.02348	0.6
137.06021	0.5
137.09660	0.2
139.03891	1.5
143.08577	0.2
145.06503	0.3
145.10129	0.4
147.04445	0.4
147.08080	0.3
147.11641	0.2
149.02371	0.2
149.05997	0.2
149.09598	0.3
150.03102	0.2
151.03929	1.5
151.07571	0.2
152.01094	0.2
153.01830	16.8
154.02226	0.4
155.04950	0.3
155.08598	0.2
159.08102	0.2
159.11687	0.3
161.06018	0.3
161.09633	0.4
161.13297	0.4
163.03966	0.7
165.01862	1.1
165.05486	0.5
165.09103	0.3
166.02672	0.2
169.10144	0.2
171.11652	0.2
172.05318	0.2
173.06044	0.3
175.11229	0.2
177.05484	0.4
177.09113	0.2
179.03386	0.3
183.02913	0.4
183.04433	0.5
187.03975	0.3
189.09087	0.2
190.02489	0.2
190.06354	0.2
191.10634	0.3
192.04192	0.2
200.04724	0.6
201.05499	1.9
202.56056	0.2
203.03416	1.4
204.04199	0.2
205.04816	0.2
210.06824	0.2
211.03922	0.3
213.05637	0.2
213.16454	0.2
215.07027	0.2
217.04984	2.9
218.05739	1.4
219.02934	0.7
225.16232	0.1
228.04160	3.8
229.04970	6.9
230.05443	0.4
231.02930	1.0
232.03563	0.2
243.06540	0.6
245.04453	3.7
246.05222	3.1
256.03616	0.5
257.04446	4.5
258.04990	0.4
260.03091	0.9
261.07663	0.6
271.06116	0.4
273.03867	2.9
274.04721	7.1
275.04962	0.3
284.03299	1.0
285.03934	7.8
285.11063	0.3
286.04486	0.6
287.02008	0.3
288.06247	0.5
299.09207	0.4
299.12976	0.2
299.20111	0.5
301.03421	0.5
302.04211	20.6
303.04654	1.3
317.06543	100.0
317.20905	1.2
318.06876	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
59.16098	0.1
65.03935	1.1
67.01867	0.2
67.16891	0.1
68.99778	0.7
69.06117	1.2
80.20528	0.1
81.03449	0.1
81.07045	1.2
85.02890	0.4
92.02622	3.9
93.03403	3.5
93.55988	0.1
94.04192	0.3
95.04956	0.1
97.02897	0.1
98.22530	0.2
103.55020	0.2
105.06995	0.2
109.02864	0.4
109.74775	0.1
111.00785	0.3
119.01269	0.1
120.02093	0.3
121.02857	2.6
122.03668	0.4
123.04412	0.2
126.03129	1.4
131.04890	0.2
133.02831	0.2
135.04381	0.2
136.01607	0.2
137.02336	0.8
137.06000	0.2
137.13260	0.5
139.03885	1.7
145.05023	0.1
145.06459	0.3
147.04449	0.2
149.02350	0.2
150.03131	0.2
151.03905	1.7
152.01064	0.4
153.01819	20.2
154.02139	0.7
155.04904	0.4
159.04491	0.1
161.05994	0.2
163.03931	0.3
165.01833	1.1
166.02554	0.3
170.02132	0.2
172.05157	0.1
173.06036	0.5
176.04628	0.2
177.05486	0.5
179.03398	0.4
183.02888	0.4
183.04437	0.4
187.03944	0.5
189.05505	0.2
190.06287	0.4
192.04172	0.3
200.04642	0.7
201.05464	2.0
203.03369	1.9
204.04176	0.3
211.03909	0.2
217.04942	3.4
218.05714	1.6
219.02895	0.7
228.04169	4.7
229.04939	8.6
230.05400	0.6
231.02863	1.4
232.03694	0.2
239.03462	0.3
243.06490	0.3
245.04434	4.5
246.05222	4.1
247.05618	0.2
255.03360	0.1
256.03635	0.7
257.04434	4.8
258.04880	0.4
259.02499	0.2
260.03101	0.9
261.07593	0.7
268.17639	0.1
271.06201	0.3
273.03918	3.7
274.04706	8.4
275.05090	0.6
284.03076	0.9
285.03922	9.0
286.04547	0.8
287.01791	0.4
288.06366	0.4
299.08847	0.1
301.03427	0.7
302.04187	23.5
303.04547	1.1
311.63400	0.1
317.06528	100.0
318.06888	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.01882	0.2
55.15662	0.2
65.03928	0.8
66.07484	0.1
67.05502	0.3
68.99809	0.5
69.93798	0.6
71.67043	0.2
79.05463	0.2
85.02928	0.2
91.05463	0.4
92.02619	3.6
93.03408	3.6
93.03967	0.3
93.07036	0.3
94.04163	0.2
95.04973	0.2
95.08624	0.2
98.23256	0.2
103.05480	0.4
105.07094	0.3
107.04954	0.4
109.02886	0.4
111.00828	0.5
111.04461	0.3
114.90344	0.2
115.05458	0.2
120.02042	0.2
120.04494	0.4
121.02876	2.5
121.06474	0.3
121.75726	0.2
122.03667	0.2
123.04443	0.7
124.01560	0.2
126.03125	1.1
129.07048	0.2
130.06511	1.8
131.04935	0.4
135.04395	0.3
135.93079	0.2
137.02351	0.7
137.05956	0.8
138.06627	0.2
139.03902	2.4
139.07404	0.5
144.05733	0.2
145.06554	0.3
147.04366	0.4
149.06026	0.3
150.03270	0.2
151.03914	1.7
151.04976	0.3
151.07550	0.3
153.01826	19.3
154.02202	0.5
155.04941	0.4
161.05963	0.4
163.03908	0.6
164.07062	0.4
165.01826	1.1
165.05479	0.3
166.02655	0.4
171.04393	0.2
172.05162	0.2
173.06003	0.5
175.07570	0.4
175.95599	0.2
175.97159	0.2
176.04648	0.2
177.01718	0.3
177.05510	0.5
179.03401	0.8
183.02945	0.4
183.04366	0.3
187.03969	0.5
187.07588	0.2
189.05473	0.3
190.06255	0.3
193.05019	0.2
196.05099	0.2
197.05977	0.2
200.04626	0.9
201.05429	2.1
203.03371	1.6
204.04095	0.4
211.04002	0.3
211.07597	0.3
217.04961	3.4
218.05721	1.3
219.02852	0.9
228.04170	4.0
229.04939	8.0
230.05443	0.6
231.02940	1.3
233.04495	0.2
239.03337	0.3
239.06981	0.2
243.06474	0.3
245.04474	4.7
246.05214	3.6
256.03638	0.6
257.04453	5.4
258.04999	0.4
260.03094	0.8
261.07608	0.5
271.06058	0.3
271.09692	0.5
273.03940	4.1
274.04709	8.5
275.04916	0.5
275.11575	0.2
284.03122	1.1
285.03922	8.2
286.04367	0.7
287.01694	0.3
288.06155	0.4
299.05447	0.6
299.09314	0.7
301.03387	0.4
302.04196	22.2
303.04532	1.4
317.06540	100.0
318.06885	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1019
Annotation	2,3,4,5-Tetramethoxyxanthone
Peak:m/z	Relative Intensity
67.05486	0.4
69.07049	0.5
71.30859	0.5
81.07059	1.0
91.05469	0.6
93.07069	0.5
94.88210	0.3
95.04977	0.4
95.08621	0.4
105.07029	0.7
109.10136	0.5
115.05450	0.6
119.08572	0.4
121.06512	0.3
121.10101	0.4
128.06255	0.5
129.07018	0.9
133.10147	0.7
135.08076	0.3
139.05417	1.4
143.04895	0.5
153.01842	0.4
155.04890	0.4
157.06425	1.5
161.09607	0.4
167.04916	1.9
169.06511	0.4
170.03653	1.0
171.04439	1.3
173.06000	0.5
181.04979	0.6
183.04469	0.5
185.05975	5.6
187.03978	0.8
188.04684	1.1
189.05415	0.4
195.04410	8.4
196.04826	0.4
198.03105	4.3
199.03903	4.0
199.07611	0.3
200.04396	0.5
201.05457	0.6
203.07069	1.0
210.06763	0.4
211.03918	0.9
212.04729	2.6
213.05457	13.0
214.06024	2.0
215.03374	3.3
216.04176	4.5
223.03935	1.8
224.04485	0.3
226.02577	3.0
226.06197	0.3
227.03412	2.8
227.07016	0.8
228.04070	0.9
228.07837	0.9
229.04944	1.2
230.05623	0.3
231.06514	3.5
238.06297	0.5
240.04163	1.0
241.04958	41.3
242.05479	3.8
243.06546	2.1
244.03662	10.9
245.04237	0.5
251.03427	0.5
255.02736	0.3
255.06569	0.7
256.07300	28.7
257.04642	0.7
257.07690	1.3
258.05267	1.1
259.06018	43.3
260.06339	1.7
269.04446	9.8
270.05023	1.0
271.06012	2.3
272.03137	1.7
272.05960	0.3
273.03738	0.3
273.07578	1.8
274.08093	0.8
284.06790	7.8
285.07303	0.9
287.05499	40.3
288.05777	2.0
289.14154	0.4
301.06955	0.5
302.07828	56.4
303.08203	2.7
317.10181	100.0
318.07227	0.3
318.10519	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.102
Annotation	Fustin 3,7-dimethyl ether
Peak:m/z	Relative Intensity
50.01585	0.2
51.02379	0.2
53.03944	0.6
55.01869	0.3
57.03440	0.1
65.03934	0.1
67.05515	0.1
68.99796	0.2
70.25215	0.3
75.13474	0.1
77.03939	0.4
79.05489	0.9
79.10994	0.1
80.86930	0.1
81.03419	0.3
83.04971	0.2
85.02898	1.2
91.05483	0.6
95.04973	0.9
103.05506	0.2
105.03408	0.1
105.04527	0.4
106.61304	0.1
107.04957	100.0
108.05293	2.4
109.02904	0.5
119.04960	0.2
120.04483	0.2
121.06474	0.6
123.03631	0.2
123.04430	1.5
127.03917	0.4
129.06998	0.2
131.04926	1.0
135.04399	0.1
137.05983	0.9
138.06569	0.2
139.03906	0.2
139.07397	0.1
145.06534	0.1
147.04399	1.0
149.02321	0.1
149.05975	1.2
150.06689	0.1
151.03905	6.0
151.07555	0.5
152.04265	0.2
153.06992	0.1
157.06490	0.2
163.03905	0.3
164.06990	0.2
165.01965	0.2
165.05524	1.0
165.06892	0.2
169.05014	1.1
169.06374	0.2
173.06000	0.7
175.03900	0.4
175.07594	0.3
177.05447	0.2
181.06499	0.2
193.04974	7.9
194.05328	0.4
195.08002	0.1
197.05998	0.1
205.05051	0.3
211.06012	12.4
212.06410	0.4
213.05513	0.1
223.06047	0.4
225.09026	0.2
239.07027	0.3
241.08698	0.1
253.08623	0.2
271.09674	0.2
273.11270	0.1
275.11392	0.2
281.08084	0.7
282.09921	0.1
299.05670	0.2
299.09125	2.3
299.12527	0.2
300.09634	0.1
317.06567	0.4
317.10211	3.5
317.13727	0.5
318.10519	0.2
320.34247	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84214	0.4
55.86870	0.5
56.88918	0.4
69.94157	2.2
117.66117	0.4
147.04364	0.4
155.06799	3.1
185.04233	2.9
203.05278	0.9
312.18292	0.4
317.12048	100.0
318.12405	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
59.43969	0.7
61.02921	0.9
65.03941	1.0
65.77985	0.7
69.03421	3.2
69.25803	2.7
69.26236	2.8
71.04974	0.7
79.05482	1.0
81.07030	0.8
83.06087	5.8
85.02905	4.3
91.05461	2.9
92.05005	1.1
93.07025	1.0
94.06536	3.5
95.04926	0.9
95.06062	2.3
95.08615	0.8
96.04485	0.9
96.05589	2.0
97.03983	0.7
98.07166	0.9
103.05473	0.8
106.03947	0.7
107.04954	6.3
108.87151	0.8
109.06534	1.0
110.06029	1.4
110.07166	14.1
110.09666	0.8
111.05560	13.1
111.07964	6.5
119.04967	0.9
120.04466	76.8
121.04798	1.4
121.06490	5.5
123.04398	5.4
124.05106	0.9
125.05997	1.0
126.06641	5.3
126.09136	2.4
126.78522	0.8
127.03938	0.8
135.04399	0.7
135.06657	23.2
136.07452	3.7
137.05920	3.7
138.05504	4.6
138.06607	44.6
138.09067	5.8
139.03877	1.9
139.07408	42.3
140.07831	0.9
147.04414	3.1
149.04575	2.1
149.05980	2.7
150.05487	4.4
150.06633	1.3
151.03928	1.1
151.06117	4.9
151.07431	1.7
153.01776	1.9
153.05482	1.2
153.06966	2.3
155.06964	0.9
156.10194	24.1
161.06067	1.2
163.03966	1.0
163.06136	15.5
164.06934	55.1
165.05449	9.0
165.06931	1.4
177.05402	1.0
180.08766	2.2
181.05074	0.8
181.06476	2.2
181.09586	27.6
185.05934	0.8
193.04951	0.8
195.08044	1.0
198.11209	0.8
201.05412	0.9
203.03500	0.7
207.06358	0.9
211.07477	1.2
213.09048	1.7
224.92116	0.7
241.08450	3.1
257.04453	0.9
257.10294	1.8
258.08670	1.2
274.04730	1.7
275.11365	41.5
276.11624	2.4
282.06750	1.6
282.09845	28.2
283.10104	2.0
299.09085	6.2
300.10931	23.1
301.11237	1.2
301.97842	0.8
302.04019	2.3
317.07101	10.8
317.13477	100.0
318.13699	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1384
Annotation	CHEBI:69977
Peak:m/z	Relative Intensity
53.03923	1.1
55.01866	3.1
57.03442	1.3
65.03934	2.5
67.05499	2.4
69.03438	1.6
69.07045	0.9
71.29913	1.4
73.97350	1.1
75.20703	0.9
79.05489	4.1
81.07052	4.0
83.04965	1.4
85.02891	1.8
91.05488	27.3
92.05786	1.0
93.07037	3.8
94.04178	3.3
95.04984	7.1
95.08585	2.2
103.05466	3.7
105.07043	3.3
107.04940	4.9
109.06517	3.1
109.10144	3.9
111.04478	1.7
115.05468	1.5
117.07050	1.2
119.04944	17.1
119.08558	2.8
119.54314	1.0
121.06496	11.7
122.03648	8.7
123.04447	14.3
123.08099	1.3
125.06036	1.1
128.06226	5.4
129.07018	19.8
131.04916	3.5
131.08562	1.3
133.02797	1.0
133.06483	1.6
135.04417	6.4
136.05269	1.7
136.06329	1.1
137.05978	100.0
137.13286	1.0
138.06378	2.6
138.40424	1.0
141.06995	2.0
143.04900	1.4
145.06473	2.6
147.04425	20.2
147.08034	8.6
149.04892	1.8
149.05992	24.6
150.06761	4.9
151.03915	2.4
151.07549	62.0
152.06221	2.7
152.07892	1.8
153.01854	1.0
153.06970	2.3
154.07861	1.1
155.08578	4.1
157.06497	13.1
159.08112	1.3
160.05208	2.7
161.05969	4.9
163.03859	1.0
163.07530	4.6
165.07001	15.1
166.07382	1.1
167.07231	1.9
167.08575	6.3
168.05684	1.5
169.06477	2.3
169.10103	1.5
171.04451	1.2
174.06749	1.4
175.07553	36.2
176.07817	1.7
177.06900	1.3
178.07776	5.9
179.08549	1.7
180.05563	1.2
181.06471	1.8
182.07265	2.1
183.07988	3.4
189.09082	2.6
191.08493	1.0
192.09279	1.9
193.06512	8.1
193.08563	3.3
193.10095	5.2
195.08122	6.9
197.06018	6.2
198.06766	1.3
199.07535	1.5
202.07832	1.1
203.08650	1.8
205.06540	1.5
206.07274	1.3
209.06078	1.9
210.06754	8.4
211.07529	9.4
213.05569	1.3
213.09094	8.8
221.06030	10.7
221.09552	7.6
223.07524	4.4
224.08212	1.1
225.05547	1.2
225.09073	6.3
227.07085	1.3
227.10680	3.4
231.08009	1.5
236.48738	1.1
238.06270	4.2
239.07022	11.7
239.10670	3.7
240.07883	1.5
241.08562	8.7
243.09937	1.5
249.09154	3.4
253.08630	10.7
253.12274	7.5
255.06503	2.3
255.10234	1.7
256.07373	2.4
258.08987	4.2
267.10150	2.8
270.08850	3.0
271.09662	31.6
272.09903	1.8
273.11218	12.3
281.11700	2.9
287.09760	1.0
299.09521	2.0
299.12769	14.3
300.13074	1.5
317.10568	1.5
317.13995	7.4
317.17188	1.0
317.21158	3.4
318.03781	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57497	0.4
53.03945	0.6
55.01878	1.2
55.05516	2.0
67.05505	3.8
69.02293	2.7
69.02694	0.7
69.07074	2.2
71.04990	0.9
79.05499	8.9
81.07059	13.1
81.07524	0.9
83.04987	6.1
83.08617	0.7
91.05485	3.1
93.07042	7.5
95.04942	0.9
95.08609	10.4
95.09221	0.5
97.06533	100.0
98.06857	2.2
98.22618	0.9
103.05476	0.9
105.07023	5.6
105.20974	0.4
107.04953	0.6
107.08604	7.0
109.06519	91.3
109.10146	5.2
109.56264	0.4
110.06855	3.4
111.08148	0.6
115.05417	0.5
117.06998	0.8
119.08569	5.2
119.09346	0.6
121.06493	2.0
121.10139	5.4
123.08070	8.6
123.11721	3.3
129.07028	1.1
129.49712	0.4
131.08586	2.6
133.10130	4.0
135.04422	0.4
135.08034	0.9
135.11697	2.4
137.09625	0.7
141.06964	0.5
143.08578	1.5
145.10123	3.0
146.10439	0.5
147.11690	4.1
149.09618	1.6
149.13264	4.1
151.03978	0.6
151.07498	0.7
152.06221	0.5
153.01799	0.7
153.07004	0.9
155.08630	0.9
157.06493	1.3
157.10123	2.0
159.11726	3.0
161.09668	0.8
161.13257	2.2
162.56995	0.4
163.11174	1.3
163.14832	1.3
165.07094	1.1
167.04968	0.6
167.08546	0.6
168.05760	1.3
169.06482	1.4
169.10120	0.7
171.11703	1.3
173.13283	3.1
175.11250	0.5
175.14819	2.5
177.12746	2.7
177.16386	0.9
181.06514	1.5
182.07265	0.9
183.04456	0.7
183.08118	1.3
183.11652	0.8
184.05214	0.8
185.05977	0.9
185.09581	0.6
185.13304	2.3
186.06879	0.5
187.07642	0.4
187.14853	1.5
189.12775	0.8
189.16400	2.0
191.08597	0.4
191.14368	0.5
191.18025	1.0
195.04387	0.9
195.08127	1.1
196.05251	0.8
196.08934	0.4
197.06020	2.3
197.09764	0.6
197.13237	0.8
198.03110	0.6
198.06770	2.2
199.03940	0.9
199.07538	2.1
199.14856	1.8
200.04681	0.5
201.16399	0.9
203.14281	1.3
203.17938	3.0
209.05908	0.9
210.06720	1.4
211.07544	2.8
211.14862	1.1
212.04752	1.3
212.08328	1.1
213.05493	3.8
213.09119	1.7
213.16470	0.9
214.06163	1.1
215.07057	0.8
215.17957	1.5
216.04161	0.5
217.15843	0.6
217.19547	1.5
225.05359	0.9
225.09155	1.4
225.16386	1.2
226.02718	0.4
226.06361	1.2
226.09846	0.5
227.03510	0.7
227.07005	3.2
227.18024	0.5
228.04166	1.0
228.07767	1.5
229.04898	1.1
229.08438	0.7
229.15834	0.7
231.06451	0.5
238.06186	0.7
239.07042	0.9
239.17957	0.8
240.07861	0.6
241.04985	7.3
241.08574	2.5
241.19557	1.4
242.05508	0.9
242.09296	0.4
243.06531	3.1
243.17542	0.7
244.03711	3.4
244.07263	0.5
245.04314	0.9
245.12904	0.4
246.13927	0.5
251.07021	0.5
253.05034	1.4
253.08545	3.5
254.05800	0.9
254.09013	0.8
255.06555	1.2
255.10188	1.6
255.21130	2.2
256.03708	0.8
256.07309	3.7
256.10126	0.5
256.10562	0.5
257.04605	0.9
257.08054	2.7
258.05145	0.5
258.08786	0.6
259.06021	11.1
259.09760	0.8
260.06485	1.4
269.04584	0.8
269.08127	2.4
270.05188	0.8
271.06049	2.3
271.09656	6.5
272.03339	0.8
272.06805	1.1
273.04022	0.5
273.07974	0.6
273.11288	2.7
273.22141	2.7
275.09229	0.5
281.22632	7.9
284.06772	2.0
284.10312	1.1
285.07504	3.2
286.12009	0.7
287.05515	6.8
287.09177	8.1
288.06201	2.4
288.09091	0.6
299.20297	0.7
299.23660	10.8
300.24127	1.0
301.07193	0.6
301.10504	1.0
302.07886	10.6
302.11414	1.3
302.16489	0.6
303.08569	6.1
317.06339	2.7
317.10193	17.7
317.13867	42.4
317.18646	1.7
317.24741	54.2
318.10919	12.3
318.14276	3.6
318.25107	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2474
Annotation	20alpha-Hydroxy-4-pregnen-3-one
Peak:m/z	Relative Intensity
55.01881	0.8
55.05509	1.7
57.07076	0.5
67.05504	4.9
69.07072	2.8
69.11295	3.6
71.04963	1.2
73.47128	0.5
79.05058	0.9
79.05495	9.8
79.16180	0.6
81.07051	13.2
83.04975	5.8
83.08624	1.3
91.05479	2.9
93.07046	6.1
95.04977	1.1
95.08601	9.0
95.09155	0.7
97.06530	100.0
97.83598	0.6
98.06864	2.3
99.21477	0.6
105.04499	0.7
105.07026	6.0
107.04955	0.9
107.08602	6.4
109.06518	85.6
109.10155	4.3
110.06844	2.5
117.07037	1.3
119.08578	5.1
121.06485	1.4
121.10131	4.6
123.07187	0.7
123.08063	9.7
123.11707	1.5
131.08583	2.1
133.10121	4.4
135.11699	2.8
137.09592	0.7
143.08566	1.2
145.10176	3.1
147.11693	2.5
149.09615	1.0
149.13284	3.6
155.08527	0.6
157.10127	1.8
159.11693	2.6
161.13266	1.8
163.11157	1.4
163.14893	1.0
171.11656	0.8
173.13316	2.8
175.14876	1.2
177.12762	2.6
183.11775	0.6
185.13315	1.5
187.14839	1.6
189.12709	0.7
189.16396	2.3
190.75818	0.6
191.17984	1.1
197.13237	0.6
199.14792	1.7
201.16431	0.7
203.14293	1.6
203.17953	3.9
211.14812	1.2
213.16370	0.9
215.18062	1.0
217.19557	2.3
225.16426	0.9
229.15854	0.7
229.19403	1.3
241.19606	0.9
243.17390	0.6
255.21080	2.3
273.22079	3.2
281.22635	9.1
299.23700	12.9
317.24744	77.6
318.25085	8.5
318.29584	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2475
Annotation	20alpha-Hydroxy-4-pregnen-3-one
Peak:m/z	Relative Intensity
53.03945	0.7
54.04856	0.3
55.01868	1.5
55.05510	2.1
57.07070	0.3
60.04548	0.6
64.07113	0.2
65.03950	0.4
67.03491	0.2
67.05503	4.7
69.05777	0.9
69.06195	1.5
69.07066	3.4
70.06596	0.4
71.04989	1.8
71.08628	0.3
79.05493	11.2
80.05804	0.4
81.07056	14.1
82.10410	0.2
83.04983	6.5
83.08627	0.7
88.07644	0.5
88.77402	0.3
91.05473	3.8
93.07043	7.1
94.07397	0.3
95.04971	0.3
95.08607	10.7
96.08953	0.4
97.06530	100.0
98.06881	2.4
102.09224	0.3
105.07027	5.5
107.04982	0.6
107.08598	6.1
109.06516	99.4
109.10154	4.7
110.06840	2.9
111.08089	0.3
117.07050	1.3
119.08579	5.3
121.06519	2.1
121.10144	5.8
123.08068	10.5
123.11713	2.9
124.08435	0.4
129.07040	0.8
131.08557	2.2
133.10117	4.3
135.08133	0.4
135.11678	3.0
137.09622	0.9
143.08577	1.4
145.10129	2.3
147.11678	3.2
149.09650	1.8
149.13246	2.7
151.11240	0.4
155.08548	0.5
157.10152	1.4
159.02638	0.3
159.11688	3.3
161.13239	1.8
163.11185	1.5
163.14841	0.8
169.10110	0.9
170.35896	0.3
171.11711	1.6
173.13229	3.1
175.11136	0.5
175.14784	2.0
177.12746	3.8
177.16382	0.3
183.11694	0.5
185.13249	1.6
187.14841	1.1
189.12761	0.3
189.16359	1.5
191.14307	0.4
191.17973	1.1
197.13217	0.8
199.14787	1.5
201.16377	0.6
203.14362	0.8
203.17946	3.0
211.14882	1.0
213.16376	0.9
215.14455	0.3
215.17986	1.2
217.15926	0.5
217.19514	1.2
225.16388	1.0
229.15929	0.7
229.19524	0.6
239.18022	0.5
241.19511	1.0
255.21037	1.8
256.26297	0.8
273.22141	2.5
281.22610	5.8
282.23080	0.5
299.23703	7.7
300.24078	0.5
303.08368	0.4
317.10162	0.8
317.24741	38.4
318.10803	0.6
318.25125	3.3
318.29993	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.2
56.05007	0.4
57.07041	0.4
58.06580	0.2
60.04530	1.0
64.80095	0.1
68.99709	0.1
70.06590	0.3
71.08610	0.1
71.30952	0.2
74.06049	0.4
88.07623	1.3
95.67190	0.1
101.03913	0.2
101.50299	0.2
115.05443	0.7
122.08134	0.2
128.06238	0.3
129.07018	0.2
131.04895	0.2
139.05389	0.6
140.06189	0.3
141.06975	1.7
143.04892	0.3
144.05745	0.9
145.06450	0.5
152.06175	0.4
153.06952	0.5
154.04126	0.3
155.04897	2.1
155.06065	0.2
156.05560	0.2
157.02821	0.2
157.06480	0.8
158.07254	0.4
159.04420	0.2
159.08041	0.5
161.06064	0.2
166.07442	0.1
167.04906	0.7
168.05733	1.3
169.06497	5.3
169.07932	0.3
170.03548	0.2
170.06940	0.6
171.04416	1.2
171.07910	0.3
172.05185	2.6
173.05997	0.9
175.07494	0.2
178.07872	0.2
179.04836	0.2
180.05624	0.2
181.06490	1.1
182.03615	1.0
182.06932	0.2
183.04408	4.4
183.07938	0.5
184.05124	1.3
185.02330	0.6
185.06000	1.5
186.06712	1.7
187.03926	0.3
187.07521	1.4
188.04643	0.3
188.07930	0.2
189.05458	0.6
195.04385	0.9
196.05209	3.4
197.05972	9.4
198.03113	0.2
198.06621	1.9
199.03899	3.2
199.07478	1.2
200.04672	6.0
200.07733	0.2
201.05444	1.2
201.09053	0.3
202.02621	0.6
202.06165	0.6
204.07664	0.2
204.48357	0.1
208.05174	0.6
209.05986	1.6
210.03119	0.5
210.06593	0.3
211.03922	2.1
211.07454	1.1
212.04683	1.6
212.08212	1.2
213.01878	1.7
213.05453	2.3
214.06207	6.2
214.09361	0.3
215.03583	1.6
215.06992	7.3
216.04155	0.7
216.07440	0.5
217.04948	4.6
218.05380	0.3
224.04680	1.9
225.05452	8.9
226.02853	0.2
226.06236	8.6
227.03410	2.0
227.06923	2.5
228.04156	9.3
228.07666	0.5
229.04961	5.1
229.08456	2.4
230.05441	1.2
230.08984	0.6
231.06430	0.6
232.07205	2.0
237.05466	0.8
238.06128	0.2
239.03387	0.3
239.07010	1.8
240.04146	0.6
240.07761	2.2
241.04886	1.1
241.08177	0.5
242.05699	6.9
243.06516	38.5
244.03557	0.2
244.07074	4.9
245.04442	7.4
245.09862	0.2
246.04881	0.5
247.07466	0.3
247.09639	0.4
248.08237	0.3
250.06287	0.3
252.04315	0.3
253.04951	2.3
254.05717	2.2
255.02875	0.5
255.06378	0.9
256.03635	2.4
256.07114	0.5
256.26321	0.2
257.04462	2.4
257.08075	12.0
258.05130	0.8
258.08762	6.3
259.06036	0.9
259.09186	0.8
260.06750	8.2
261.06952	0.4
261.09354	0.2
262.09796	0.2
267.06488	1.2
268.07202	1.4
269.04425	0.3
269.07559	0.2
270.05203	3.6
270.27966	1.0
271.02939	0.2
271.05975	9.1
272.06769	10.5
273.03912	3.7
273.07245	1.1
274.04367	0.2
274.08289	0.6
275.06320	0.2
275.09079	4.3
276.07349	0.2
285.07565	17.3
286.08252	7.3
287.09116	15.4
288.06277	10.3
288.09390	1.0
289.06558	0.5
290.11078	0.5
291.06680	0.2
291.10226	0.2
300.09619	0.6
300.28903	0.2
303.08612	42.4
304.08920	2.4
317.32376	0.5
318.10968	100.0
318.29941	3.7
319.05933	1.0
319.11237	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41246	0.1
56.05015	0.3
57.07045	0.4
58.42927	0.1
60.04529	0.6
70.06548	0.2
71.31340	0.1
74.06059	0.2
81.51103	0.2
82.44005	0.1
88.07629	1.6
91.05470	0.2
103.62913	0.1
115.05431	0.6
118.08633	0.2
122.08115	0.2
126.04621	0.2
127.25987	0.1
128.06207	0.3
129.06952	0.5
139.05415	0.6
139.56804	0.1
140.06148	0.2
141.07005	1.7
143.04890	0.4
144.05725	0.9
145.06485	0.2
145.55505	0.1
152.06180	0.2
153.06956	0.5
154.04073	0.2
155.04927	2.0
156.05600	0.4
157.06442	0.5
158.07173	0.5
159.08020	0.6
160.05180	0.2
161.05936	0.2
165.07019	0.2
167.04994	0.6
168.05708	1.3
169.06473	5.0
170.06944	0.6
171.04422	1.3
171.07921	0.4
172.05170	3.1
173.06009	0.7
174.06561	0.2
175.07489	0.2
180.05643	0.3
181.06448	1.2
182.03644	1.1
182.06921	0.2
183.04401	4.2
183.07982	0.6
184.05141	1.3
184.08418	0.2
185.02368	0.4
185.05931	1.5
186.02962	0.2
186.06749	2.1
187.03815	0.3
187.07527	1.4
188.04590	0.3
189.05516	0.8
191.08463	0.2
195.04321	0.7
196.05197	3.3
197.05966	10.4
198.03070	0.2
198.06567	2.1
199.03897	3.3
199.07458	1.3
200.04651	6.1
200.07773	0.4
201.05397	1.1
201.09015	0.3
202.02557	0.5
202.06241	0.8
203.06868	0.1
208.05113	0.9
209.05959	1.3
210.03079	0.6
210.06584	0.2
211.03889	2.0
211.07387	0.9
212.04640	1.6
212.08133	0.9
213.01830	1.8
213.05412	2.4
214.02530	0.3
214.06197	6.3
215.03581	1.7
215.06982	6.2
216.04240	0.7
216.07384	0.9
217.04944	4.4
218.05363	0.2
224.04651	2.0
225.05435	8.5
226.06213	8.2
227.03455	1.8
227.06937	2.5
228.04138	10.3
228.07385	0.7
229.04933	5.6
229.08459	2.3
230.05455	1.2
230.08902	0.8
231.06349	0.8
232.07138	2.1
237.05409	0.7
238.06265	0.2
239.03322	0.3
239.07013	1.8
240.04208	0.7
240.07742	2.2
241.04933	1.3
241.08157	0.5
242.05695	7.1
242.08574	0.2
243.06503	39.5
244.07027	5.1
245.04431	6.9
245.07506	0.4
246.04790	0.4
247.07440	0.2
247.09651	0.3
250.06209	0.5
252.04260	0.4
253.04953	2.4
254.05731	2.3
255.02913	0.4
255.06425	0.8
256.03604	2.6
256.07156	0.5
256.26349	0.5
257.04431	2.7
257.08057	12.8
258.05154	0.9
258.08749	6.6
259.05972	1.2
259.09158	1.0
260.06717	8.3
261.07062	0.2
267.06458	1.2
268.07169	1.3
269.04395	0.3
269.07544	0.2
270.05179	3.4
270.08087	0.2
270.27908	1.1
271.05972	7.9
272.06757	10.2
273.03909	3.5
273.07172	0.9
274.08292	0.7
275.09045	4.6
276.09134	0.2
276.11737	0.2
285.07547	18.0
286.08252	6.5
287.09106	16.1
288.06247	10.8
288.09354	0.9
289.06302	0.3
290.11093	0.9
300.09595	0.8
300.28885	0.2
302.07867	0.3
303.08591	43.3
304.08914	2.5
318.10931	100.0
318.29929	3.4
319.11295	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.01876	2.8
57.03436	6.9
61.02922	10.1
69.03431	19.3
70.46632	5.7
73.02909	4.1
73.77451	1.6
81.03419	5.7
85.02905	100.0
86.03246	2.4
87.04481	2.8
90.30756	1.6
90.87991	1.7
91.03957	7.5
91.05476	3.4
93.07045	3.5
97.02896	22.6
97.28532	1.9
99.04457	4.5
103.05431	2.3
109.02885	6.3
115.67993	1.7
120.54696	1.8
121.06503	81.1
122.06850	3.4
127.03899	24.7
145.04959	38.3
146.72665	1.9
148.68703	1.7
158.37135	1.7
159.08047	3.9
159.78308	1.6
163.06044	8.5
163.07257	2.0
168.44434	1.8
175.07584	2.2
180.08678	4.3
187.07568	18.7
201.09041	2.0
205.08546	11.7
217.08678	2.8
229.08635	6.5
242.14944	1.9
247.09654	6.8
265.10715	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.6
55.01866	5.9
57.03431	8.7
61.02926	12.3
69.03429	23.0
69.57298	14.0
73.02901	3.3
81.03411	8.1
85.02904	100.0
87.04504	2.8
91.03953	7.4
93.07024	4.5
97.02891	25.7
97.57012	2.5
98.23292	4.9
99.04452	3.7
99.36912	2.2
109.02867	6.5
115.03966	2.2
121.06500	66.2
127.03899	23.1
130.05011	3.0
138.05470	5.0
145.04964	38.2
145.06215	3.1
163.03842	3.5
163.06010	6.5
180.08710	12.4
187.07513	12.9
187.65805	2.6
205.08650	5.0
222.16420	2.4
229.08543	5.2
255.06520	2.6
319.13525	5.9
334.59268	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00085	0.2
52.04472	0.2
53.03672	0.2
53.03933	0.6
55.01868	0.5
55.05495	0.4
57.03428	1.2
61.02925	2.0
67.05486	0.7
69.03428	3.9
69.07053	1.0
70.06593	0.3
71.05002	0.4
71.28999	0.2
73.02907	0.8
79.05486	0.9
81.03423	1.6
81.07060	0.4
82.06567	0.9
83.04960	0.3
83.08609	0.4
85.02905	9.3
85.99132	0.2
87.04449	0.5
91.03949	0.6
91.05499	0.8
91.38604	0.2
93.07041	1.7
94.06544	0.4
95.07312	0.5
95.08633	1.2
96.04487	3.4
96.08138	2.2
97.02901	3.2
97.05280	2.1
97.06532	1.0
98.06080	0.3
99.04437	0.5
100.07615	1.2
103.05444	0.3
108.08111	0.5
109.02901	1.3
109.06515	0.5
110.06039	7.4
110.09678	3.5
111.08059	1.1
116.73260	0.3
120.04491	0.5
120.08096	0.9
121.04797	0.5
121.06505	3.3
123.04458	0.4
123.80346	0.2
124.07577	0.2
125.08382	0.9
126.09153	8.5
127.03918	1.5
138.05537	0.6
138.09135	21.2
139.07584	1.8
139.09459	0.5
140.07771	0.4
140.10773	0.3
145.04950	1.0
149.05923	0.3
151.03886	0.3
152.10732	0.5
153.01808	0.5
156.10199	100.0
157.10570	2.4
164.06842	0.4
165.07304	0.5
168.10194	0.9
180.10184	0.7
198.11241	0.8
213.05246	0.3
222.11203	0.4
243.47649	0.3
251.49991	0.2
272.11160	0.5
276.11771	0.4
277.12949	0.7
283.10263	0.3
300.10596	0.4
301.11496	1.0
302.12537	0.6
318.06757	0.4
318.15567	2.4
319.15402	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.4
57.03435	8.3
61.02936	15.0
68.33817	2.0
69.03427	19.2
69.53515	13.2
70.06596	35.5
72.08183	2.3
72.36539	1.9
73.02941	4.1
78.01450	2.1
81.03415	8.7
84.04491	3.3
85.02905	100.0
87.04461	2.6
91.03952	7.8
91.05511	3.3
93.07030	4.6
97.02891	22.4
99.04472	2.5
103.05459	5.3
107.04982	2.3
109.02882	10.1
110.09664	2.5
121.06508	87.8
127.03910	20.0
130.06541	3.4
138.05498	4.7
138.09157	4.2
145.04962	35.6
145.06216	2.9
148.77756	2.5
151.03960	2.8
158.06052	3.4
159.08064	3.5
163.06075	8.0
165.07126	2.3
169.06352	2.3
174.11282	4.6
179.07016	2.7
180.08661	3.2
187.07524	16.6
200.68279	2.1
205.06818	3.0
205.08655	9.9
217.08636	3.4
221.09306	3.9
229.08649	4.8
247.09740	4.4
287.05481	4.9
319.08258	3.0
319.12839	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
64.24544	0.2
65.03933	0.8
67.01866	0.6
68.99440	0.4
68.99789	4.5
69.03410	0.5
69.44965	1.3
79.01853	0.4
79.87457	0.2
81.03419	0.5
85.90379	0.2
93.03387	0.6
95.01284	0.2
97.02897	0.6
98.22580	0.3
101.45264	0.2
105.03380	0.3
105.07034	0.4
107.01305	0.3
109.02889	2.5
111.00044	0.2
111.00804	4.5
111.04427	0.8
115.05431	0.4
117.65905	0.2
121.02847	0.6
121.06501	0.7
122.09489	0.3
123.04384	0.3
124.32195	0.2
125.02362	0.5
126.03114	0.4
126.14000	0.2
127.03913	0.9
133.02873	0.6
133.06493	0.5
135.04335	0.2
137.02339	4.9
137.06001	0.2
139.03905	1.0
143.03354	0.4
143.04886	0.3
147.04411	0.6
148.94537	0.2
149.02332	0.3
149.05969	0.8
151.03918	1.8
153.01826	24.6
154.02209	0.6
161.05931	0.8
163.03928	0.5
165.01845	6.4
166.02600	1.1
171.04440	0.7
175.03885	0.5
177.05457	1.8
179.03387	2.8
181.06422	0.3
183.02904	2.0
187.04013	0.2
189.01765	0.3
189.05429	2.7
191.03394	0.3
193.01312	0.8
194.02039	0.3
195.02940	1.6
199.03944	1.0
203.03320	1.7
205.04866	0.2
207.02867	0.7
213.47968	0.2
216.04158	0.3
217.04945	8.1
218.05347	0.4
219.02962	0.5
221.04482	0.7
227.03326	1.0
229.04970	0.6
231.02934	0.8
231.07582	0.3
232.03720	0.5
235.02351	0.6
235.06151	0.5
239.01907	0.3
244.03629	0.9
245.04454	10.0
246.04820	0.6
255.02951	1.2
259.02393	0.2
262.04840	0.2
263.05432	1.3
272.03217	0.4
273.03928	8.6
274.04245	0.6
277.12949	0.8
283.02374	0.3
290.04181	2.2
291.04846	0.4
301.03442	1.6
302.12463	0.4
319.04471	100.0
320.04816	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0447
Annotation	Myricetin
Peak:m/z	Relative Intensity
50.95662	0.2
55.01865	0.5
65.03934	0.6
67.01854	0.6
68.99789	4.5
69.03413	0.4
69.37576	1.0
71.01334	0.2
76.99337	0.2
79.01857	0.5
81.03408	0.6
83.04940	0.2
83.58479	0.2
86.82989	0.2
91.05483	0.3
93.03382	0.6
97.02898	0.5
105.07030	0.3
107.01311	0.3
109.02876	3.0
111.00801	4.6
111.04429	0.9
115.05443	0.3
117.06994	0.2
121.02852	0.5
121.06467	0.5
123.04389	0.4
125.02336	0.6
126.03122	0.6
127.03915	0.7
131.04939	0.3
133.02834	0.6
133.06485	0.4
135.04427	0.3
137.02327	4.6
137.05963	0.7
139.03856	0.9
143.03391	0.3
147.00806	0.2
147.04420	0.8
149.02341	0.7
149.05952	0.4
151.03868	0.6
151.06099	0.2
153.01820	26.3
153.05386	0.5
154.02184	0.6
159.04410	0.2
161.02306	0.4
161.05969	1.1
163.03831	0.4
165.01833	6.9
165.05447	0.2
166.02667	1.1
167.03383	0.2
171.04359	1.1
173.06024	0.3
175.03880	0.5
177.05458	1.2
179.03394	3.3
183.02898	2.5
183.04434	0.3
187.08798	0.2
189.01852	0.3
189.05464	2.2
191.03387	0.3
193.01326	0.6
193.04971	0.3
195.02888	1.8
199.03883	1.2
203.03328	1.8
205.01323	0.2
205.05020	0.2
207.02847	0.8
209.04329	0.3
216.04166	0.3
217.04950	9.2
218.05199	0.3
219.02847	0.6
221.04417	0.8
227.03432	1.1
228.04022	0.2
229.04945	0.8
231.02827	0.5
231.07651	0.3
232.03603	0.3
233.04424	0.2
235.02292	0.5
235.06068	0.6
239.01892	0.2
244.03673	0.9
245.04448	11.9
246.04796	0.6
255.02945	1.6
259.11682	0.3
261.03879	0.3
262.04691	0.2
263.05453	1.0
272.03049	0.5
273.03928	9.8
273.07303	0.6
274.04312	0.6
277.12952	1.2
290.04205	2.2
291.04898	0.4
301.03503	2.4
301.11423	0.2
302.03809	0.3
302.12424	0.6
319.04459	100.0
320.04788	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.079
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72776	15.2
70.05901	35.8
70.06278	31.6
80.55183	14.2
89.14645	16.6
98.22591	19.4
101.00911	17.0
113.05795	15.7
121.01688	28.8
155.01869	16.0
235.48300	18.6
254.66417	17.9
306.97601	18.7
319.07443	100.0
319.13089	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0789
Annotation	Flustramine C
Peak:m/z	Relative Intensity
51.91078	9.3
56.79077	9.7
59.35192	8.7
59.73361	11.1
70.80538	18.7
81.37532	9.8
86.14970	9.1
92.65745	11.4
98.23385	10.7
101.00932	13.2
119.01966	13.8
134.14227	9.6
213.09726	10.0
301.11856	11.2
319.07611	100.0
319.16235	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.079
Annotation	Flustramine C
Peak:m/z	Relative Intensity
70.63921	15.5
104.97248	8.4
117.64671	6.8
141.05397	9.3
161.15218	6.8
221.98965	7.6
259.06586	10.9
277.07648	8.9
319.07864	100.0
319.13553	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0812
Annotation	Taxifolin 4'-methyl ether
Peak:m/z	Relative Intensity
55.01879	1.4
65.03946	2.8
67.01875	1.7
67.05518	1.3
68.99800	3.8
69.03437	2.8
69.07076	2.0
71.29994	1.1
79.05498	1.9
80.20942	0.8
81.03411	1.6
81.07058	3.2
85.02909	1.2
91.05482	2.5
93.03435	1.5
93.07030	1.3
94.04183	3.0
95.04985	2.7
95.08615	1.2
95.40585	0.8
97.02909	2.3
105.03412	2.7
105.07050	2.0
107.04991	1.8
107.08605	1.1
109.06511	3.1
109.10213	1.2
111.04436	8.1
117.07022	0.9
119.08608	1.3
121.02870	11.5
121.06483	1.0
122.03651	7.8
123.04479	5.5
124.01595	0.9
125.06011	3.5
127.03914	2.3
133.02838	14.8
133.10081	1.2
137.05977	88.5
138.06320	1.9
139.03893	6.0
141.05551	0.8
147.04454	1.0
149.02345	49.7
149.05919	1.9
151.03929	2.2
153.01828	100.0
154.02290	2.6
157.06512	1.9
157.10162	0.9
159.10329	0.8
161.02353	25.5
161.03705	1.4
165.05516	6.0
166.04900	1.3
167.03401	17.1
169.06573	0.9
171.03014	1.1
171.04401	0.9
177.09058	0.9
177.75383	0.8
182.04433	1.2
184.05231	3.6
185.05959	5.4
189.05479	0.9
193.05014	6.2
195.02892	35.1
196.03314	1.3
203.11826	0.9
212.04729	2.6
213.05472	15.6
213.07323	0.5
214.08656	1.8
217.04997	3.3
227.07079	1.5
229.05058	3.6
230.05757	2.3
241.04967	17.6
242.05565	1.7
245.08093	34.1
246.08392	1.0
255.68826	0.9
257.04514	1.2
258.05310	1.4
259.10757	5.6
269.04449	2.8
272.06876	1.9
273.04556	1.5
273.07571	45.8
273.12183	2.0
274.07803	1.8
283.10791	1.0
286.04614	1.7
287.13968	1.4
292.64606	0.8
301.07053	12.4
301.11856	7.1
302.12582	1.0
308.15942	0.8
319.04437	3.6
319.07874	6.3
319.12570	3.6
319.16122	1.6
319.22690	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1176
Annotation	Evofolin B
Peak:m/z	Relative Intensity
53.03951	1.2
55.01865	3.0
57.19802	0.9
59.08614	0.8
65.03941	2.7
66.49960	1.0
67.05495	3.2
68.99797	1.8
69.03416	1.3
69.07053	3.6
70.06577	1.0
71.29119	1.1
79.01868	1.0
79.05503	1.7
81.03411	2.1
81.07059	1.7
85.02885	4.0
89.03914	3.2
89.35600	0.9
91.05488	3.6
93.03414	1.0
93.07039	2.2
95.04959	3.3
95.08639	1.0
97.02884	2.2
103.05470	1.2
105.07050	1.2
106.57072	0.9
107.04951	2.3
107.08594	1.2
108.02109	1.8
109.02922	1.9
109.06387	1.0
111.00784	2.2
111.04432	1.5
111.11696	1.3
117.03367	3.2
119.04952	1.1
121.02891	1.5
121.06540	4.8
121.10178	0.9
123.04409	1.4
124.83802	0.8
131.04919	1.2
133.02879	1.1
134.03633	2.5
135.04390	2.1
137.02376	2.9
137.05965	7.3
139.11194	2.3
141.05473	2.8
149.05986	74.4
150.06366	2.1
151.03912	82.2
151.05014	8.6
151.07507	2.7
152.04263	2.1
153.01825	11.1
153.05717	1.2
153.06972	8.2
155.08614	0.9
157.12248	2.2
161.06006	1.4
163.03880	2.1
165.01898	2.8
170.07310	1.7
176.10706	2.3
177.05469	100.0
178.05836	3.2
179.03424	1.2
181.06433	9.7
182.07082	1.2
183.02946	1.6
195.08098	1.7
198.06897	1.6
199.03925	1.3
209.05977	3.0
212.09398	1.1
213.08997	5.5
214.08467	1.3
214.48721	0.9
217.04948	2.7
223.07759	1.4
227.07123	1.3
227.11749	1.1
229.09720	1.1
241.08521	6.5
245.04448	4.4
255.11234	1.1
259.10754	3.3
269.08084	3.0
270.10187	1.8
272.11664	1.3
273.04010	2.8
273.11145	15.5
274.11008	2.1
277.12943	1.0
283.10483	1.8
301.11621	13.7
302.12149	1.8
319.04486	41.1
319.12506	5.3
319.16226	1.5
320.04874	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33049	0.4
57.03425	1.5
58.55914	0.4
59.71803	0.4
67.05480	0.5
68.96454	0.4
69.03188	3.7
69.03513	0.6
79.05512	0.4
81.07039	0.7
85.02892	1.8
85.06541	0.5
91.05424	0.5
93.07038	0.5
95.04938	0.6
97.02908	0.5
99.04449	0.5
99.08116	0.4
99.35786	0.4
107.04955	0.5
121.02890	0.4
121.07453	0.4
124.07607	0.4
127.07539	0.5
132.36841	0.4
139.11195	0.6
149.05963	1.1
151.03889	1.5
157.07544	0.7
157.08714	0.9
163.03928	0.7
167.07251	0.9
170.08336	0.7
171.09163	1.5
172.11223	0.5
174.09134	1.1
177.05472	1.1
182.09656	0.7
183.09181	1.0
184.09938	2.0
185.08287	0.9
193.07571	0.5
194.08356	1.0
198.07880	1.2
199.08627	2.8
199.12325	1.7
200.10695	1.4
205.04990	0.9
209.10683	1.2
210.11517	0.8
211.08679	2.9
211.12296	0.5
212.09431	4.4
213.10234	3.8
225.10231	3.7
226.10986	10.4
227.11789	13.8
228.10194	5.7
228.12213	0.8
229.09769	1.2
231.07854	0.4
240.08965	0.6
245.12910	0.7
254.10498	1.1
255.11296	7.7
256.11768	0.6
257.09290	0.6
257.12759	0.5
259.10965	0.4
270.07043	0.9
270.09995	18.5
271.10712	3.6
272.11551	15.4
273.07703	0.7
273.12326	8.1
277.12961	1.0
283.10773	7.7
285.05695	0.5
301.11823	100.0
302.12198	8.1
319.04547	1.4
319.12827	26.7
320.13083	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04989	6.8
57.05778	1.9
59.06087	0.8
60.05640	2.6
69.04514	1.7
70.06600	2.8
71.03976	1.0
83.06118	3.6
85.07613	0.7
91.05450	0.7
95.06110	3.2
97.03995	0.5
97.07568	0.6
98.07165	0.8
98.09138	0.5
100.08676	0.6
105.03344	1.3
105.05736	1.2
106.06499	1.5
110.07114	0.5
111.05569	10.2
112.05060	0.6
112.08679	1.5
113.07119	5.1
115.08662	0.8
117.05718	1.0
118.06477	1.2
120.04455	4.1
123.05502	0.7
126.06652	5.1
127.07452	2.4
130.06461	0.9
132.04454	15.4
132.08035	2.1
134.06012	6.0
137.04675	1.3
137.05971	0.5
139.03809	0.8
140.08202	3.2
143.03383	0.5
146.92189	0.5
148.03926	1.9
150.05505	9.2
151.04987	0.7
151.06140	9.8
165.06554	1.6
174.05429	1.2
176.06987	1.7
177.01729	1.2
187.07259	0.6
187.08701	6.0
189.06554	1.8
202.09750	5.2
203.08180	4.5
216.11331	0.6
218.09100	0.6
230.09270	4.1
231.07646	34.6
232.08115	1.2
232.10738	1.4
233.09219	1.5
233.13962	8.3
234.12267	1.4
242.09238	2.7
246.08701	1.6
249.13652	0.6
257.10355	5.0
259.11902	27.0
260.10233	1.5
260.12476	1.0
277.12955	100.0
278.13257	5.7
284.11398	7.5
301.07153	1.0
301.14099	1.7
302.12466	57.0
303.12762	3.0
319.15152	88.2
320.15472	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01869	0.5
55.05509	2.1
58.48435	0.4
65.03936	1.1
67.05505	21.1
69.03419	0.8
69.07063	1.6
69.34929	2.3
71.05036	0.5
77.03909	0.5
79.05491	7.8
81.07059	8.4
83.04995	0.9
83.08615	0.8
88.07653	0.5
89.43831	0.5
91.05478	10.4
91.06008	0.8
93.07047	22.3
95.04970	12.1
95.08608	16.1
95.09222	0.6
96.08981	0.6
97.06518	1.0
98.23342	0.6
103.05490	2.0
103.77142	0.4
105.04547	0.8
105.07034	18.4
106.07867	0.5
107.08595	18.3
108.08955	0.4
109.06537	2.3
109.10155	55.3
110.10502	1.3
112.32252	0.4
117.07009	2.1
119.08581	26.0
120.05778	0.5
120.08906	0.8
121.06506	0.4
121.10143	30.9
121.74629	0.5
122.10477	0.8
123.04425	5.0
123.08096	2.6
123.11701	0.6
124.26595	0.3
125.02317	0.8
131.08566	1.3
133.06601	0.4
133.07597	2.1
133.10129	1.7
135.08090	0.6
135.11713	0.7
137.09613	41.9
138.09979	1.2
139.03897	0.4
139.11215	0.4
140.04678	6.8
141.05490	3.0
144.08087	1.3
145.10109	1.3
147.08043	12.6
147.11761	0.5
149.09631	1.2
149.13193	0.4
151.11128	0.6
155.07030	26.0
156.07388	1.0
157.10107	0.6
159.11737	0.8
161.09624	0.8
161.13258	0.7
165.09116	100.0
166.09431	3.6
169.09975	0.5
175.11247	0.7
175.14697	0.6
185.13197	0.5
187.14848	0.8
206.25677	0.4
259.16739	0.7
273.21918	0.4
283.20670	0.4
301.21646	1.5
318.29602	0.4
319.15262	7.1
319.22891	2.0
319.30508	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2266
Annotation	12S-HEPE
Peak:m/z	Relative Intensity
53.03925	1.4
54.30270	0.9
55.01871	1.7
55.05511	8.6
57.03432	1.1
57.07083	1.0
67.05506	14.2
69.03424	2.3
69.07065	11.1
69.40130	6.2
71.04977	6.9
79.05496	12.5
81.06580	2.0
81.07054	26.6
83.04976	1.6
83.08611	3.0
85.06540	3.2
88.57206	0.9
91.05476	10.2
93.07043	27.8
94.07351	1.5
95.04964	4.2
95.08607	35.3
97.06530	2.4
97.10165	3.7
98.22625	1.1
99.04430	1.3
101.05994	1.3
105.07025	23.5
107.08591	24.2
109.06500	4.2
109.10149	15.2
111.08079	3.1
111.11708	2.3
113.09644	2.2
117.07036	3.3
119.08578	22.1
121.06506	1.7
121.10138	20.7
123.04444	1.7
123.08080	3.3
123.11726	7.7
125.05982	2.8
125.09635	3.0
129.06969	1.8
131.08560	10.8
133.06451	1.2
133.10132	19.2
134.10506	0.9
135.08046	4.9
135.11697	11.8
136.07602	1.8
137.05925	2.2
137.09642	2.7
137.13234	1.7
139.07561	2.7
139.11165	1.4
143.08569	4.1
145.10124	11.8
147.08049	3.7
147.11687	13.8
149.05974	7.3
149.09637	2.8
149.13206	5.8
151.03888	1.1
151.07558	2.4
151.11159	1.6
153.09102	3.2
155.08559	1.2
157.10143	5.9
159.08109	2.7
159.11652	9.8
161.09622	4.4
161.13258	7.0
163.07524	2.9
163.11172	2.4
163.14789	1.6
165.09096	4.4
165.12796	1.7
167.10677	1.6
169.10161	1.7
171.11636	5.1
173.09642	1.2
173.13269	8.4
175.11163	1.8
175.14714	5.7
177.09070	4.9
179.10658	5.9
181.10223	1.0
183.11717	2.4
185.13272	3.9
187.14844	3.8
189.12805	2.0
189.16425	1.3
191.10690	1.1
193.12263	1.3
195.11815	1.2
197.13260	1.9
199.14825	3.8
201.12708	1.3
201.16371	4.3
203.14296	1.2
203.81958	1.0
205.12268	2.3
209.13287	1.7
211.14896	1.4
213.16373	1.8
215.14268	1.8
215.18011	2.8
219.13869	2.5
225.16367	1.3
227.17952	3.0
229.19630	1.4
231.13637	1.6
231.17505	1.1
239.17963	2.3
241.19519	3.4
245.15367	2.3
255.17723	1.2
255.21066	3.8
257.19003	2.1
259.16940	1.2
259.20618	1.3
265.19534	2.9
273.18552	2.7
273.22025	2.1
275.20029	9.2
283.20474	9.4
298.13483	1.0
301.21585	27.4
302.21857	1.3
319.07190	1.6
319.22681	100.0
320.23032	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41271	4.5
54.11615	4.0
56.96568	9.2
57.03395	4.1
69.03407	11.1
71.04987	5.1
71.05638	5.9
79.05496	5.8
81.03404	15.6
82.81116	4.3
83.04987	15.6
85.02925	41.2
85.03387	7.4
93.03423	8.9
95.04955	25.1
97.02896	14.5
98.97583	35.1
107.04945	8.0
109.02886	100.0
110.97546	7.7
111.04458	11.6
116.98640	11.5
123.04439	24.0
127.03920	6.6
128.98636	10.0
139.03889	14.6
141.05475	81.9
145.04973	9.0
147.04405	14.9
158.08185	5.6
166.71187	4.7
219.01767	7.8
237.02754	13.0
279.07443	28.4
292.86844	4.6
302.12125	7.3
320.08218	8.2
320.13574	11.9
321.09183	29.8
321.14331	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45241	1.4
58.99838	1.8
68.98274	2.1
69.21815	1.6
69.40162	10.3
70.99847	3.6
76.12444	1.7
78.71269	1.8
82.25089	1.5
82.99837	9.4
91.02420	2.6
97.01377	5.8
98.43244	1.6
99.02904	1.7
101.00880	74.5
102.00964	2.6
103.02396	2.6
113.00870	30.2
115.02432	30.8
116.02464	1.8
117.04008	9.9
119.01917	100.0
120.01965	4.8
122.40082	1.5
124.84464	1.4
125.00817	3.3
126.98782	2.2
127.02402	5.7
129.03958	8.0
131.01903	46.0
132.02052	1.7
133.03458	48.8
134.03656	2.4
135.05022	8.5
137.00786	4.8
137.02962	10.6
141.03912	3.9
143.01892	29.9
144.01888	1.9
144.99771	3.5
145.03477	20.8
147.01347	4.7
147.04997	6.9
149.02921	5.6
151.04443	5.4
153.03932	2.9
155.01884	33.4
156.02638	4.5
157.03467	10.3
159.01460	1.7
159.03751	2.2
159.05013	32.4
160.05133	2.8
161.02940	26.7
161.06546	2.1
163.04512	9.0
168.99797	15.5
171.01375	7.7
171.03632	2.6
171.05020	41.6
171.07214	1.8
172.05174	2.1
173.01544	2.4
173.02945	37.2
173.06535	7.1
174.03128	1.8
175.00922	1.9
175.04451	5.9
177.02316	2.2
177.06042	14.4
183.04988	4.4
185.02933	7.4
185.06580	4.5
186.99242	3.0
187.00874	40.6
187.04504	2.6
188.00873	2.3
189.02481	16.3
189.06100	23.7
191.03964	16.0
195.05000	2.3
196.99344	10.3
197.02942	2.1
199.00867	1.8
201.02377	5.0
201.06091	16.5
203.04024	17.6
203.07555	3.3
205.01967	11.2
207.03430	3.3
213.06001	7.3
215.00362	50.6
216.00461	3.9
217.01883	2.2
219.03473	5.3
219.07123	10.3
221.02966	3.0
221.05051	45.1
222.05196	3.5
229.01926	25.1
231.03427	3.4
231.07060	6.0
233.01277	4.6
233.05072	23.3
234.05313	2.0
243.07176	7.9
244.06639	1.7
244.36610	2.0
245.04921	3.9
247.02991	79.8
248.03131	5.8
249.04486	2.6
258.58182	1.8
261.08182	72.4
262.08359	5.2
265.04160	7.7
279.06110	3.4
279.09229	98.2
280.09454	7.9
289.04166	9.0
321.06552	6.3
321.10150	79.7
322.10440	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80186	3.4
70.01957	1.2
70.06594	3.1
81.03438	1.6
82.99858	1.8
85.02904	3.5
92.41232	1.2
97.01395	1.5
101.00896	15.8
112.99734	1.2
113.00878	4.3
114.09191	5.5
115.02436	5.8
117.03986	1.9
119.01926	19.8
120.02118	1.6
123.05581	2.1
124.97775	1.4
127.02436	1.6
131.01944	9.6
133.03459	11.1
137.02954	3.6
141.06563	4.6
143.01918	6.0
145.03482	5.1
147.05049	3.4
155.01913	7.0
157.03510	1.6
159.05057	5.8
159.07625	3.1
160.09706	26.2
161.02953	7.1
163.04526	2.9
168.99919	3.5
171.01430	2.1
171.05038	7.7
173.02965	5.9
173.06602	2.2
175.04471	2.1
177.06116	2.7
183.05093	2.0
185.02930	1.3
187.00908	7.3
189.02466	3.2
189.06116	4.7
191.04042	4.3
196.73572	1.3
196.99338	2.4
201.02411	2.6
201.06067	2.0
203.03868	1.9
205.01955	3.1
215.00356	6.5
219.01741	1.3
219.03630	3.0
219.07173	3.4
221.05104	11.3
229.01920	3.5
231.03517	1.4
231.07224	3.1
233.01309	1.5
233.05081	2.3
233.08841	1.5
234.16371	1.4
245.05080	2.7
247.02975	11.9
248.03273	2.4
249.04601	1.3
261.08295	10.3
273.07907	1.4
279.09262	12.6
289.04041	1.5
321.11746	100.0
322.11603	6.0
322.15128	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69100	2.1
54.45720	2.3
69.72716	9.6
70.99872	2.4
77.79133	2.9
84.35615	2.5
101.00885	13.0
103.09074	2.8
111.05553	2.6
113.00867	5.1
114.09221	4.3
115.02438	7.3
115.56804	2.5
116.74754	2.4
119.01933	14.8
131.01927	9.0
133.03471	9.4
141.06589	6.5
143.01895	5.2
147.05103	4.0
155.01891	9.7
157.03430	3.0
159.05028	7.6
160.09712	11.1
161.02997	5.6
171.05029	9.4
173.02965	6.9
177.06023	3.1
183.05014	2.8
189.02455	3.7
189.06128	3.7
197.02960	2.4
201.06204	3.9
203.04001	4.7
210.20724	2.6
215.00351	7.1
219.07213	5.0
221.05125	9.7
231.07124	5.6
233.04999	3.6
245.05035	4.1
247.03021	10.8
261.08224	11.9
279.09460	15.8
282.73438	2.9
321.11923	100.0
322.11652	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1445
Annotation	Formylfusarochromanone
Peak:m/z	Relative Intensity
67.05503	16.9
69.03440	1.9
69.98417	6.8
70.32290	1.5
71.49207	1.5
74.12243	1.5
79.05481	3.8
81.07047	1.8
83.04997	2.1
91.05491	4.3
93.07047	3.7
94.06539	9.6
95.04964	7.5
97.02895	1.5
98.06011	1.7
98.97581	2.0
108.08157	8.7
110.06013	3.0
110.09647	1.8
119.04932	2.6
120.08091	8.9
120.15538	1.5
120.99155	1.8
121.01723	1.7
122.06018	9.7
123.06828	3.1
128.07072	2.7
134.06013	5.4
136.07574	11.2
138.05505	29.2
138.09140	7.9
139.03925	2.2
142.06531	2.0
143.07254	1.5
144.08025	2.2
145.07562	2.7
146.08406	3.2
146.09602	2.9
147.04410	7.4
148.07556	8.1
152.07062	4.6
156.06567	11.7
158.09666	4.2
160.07570	6.6
163.02736	4.3
164.07097	6.5
166.08653	12.7
169.08891	2.5
173.07106	4.3
173.10750	3.6
174.07884	5.0
174.12775	1.7
175.08719	1.8
177.05528	1.6
181.08844	2.5
182.08345	2.1
183.09160	3.1
184.11244	5.4
186.09134	2.7
189.10228	15.3
194.09679	2.4
195.09232	4.5
196.09949	16.2
197.08446	2.4
197.10709	6.6
201.10210	2.8
202.08626	7.5
202.10959	5.2
202.12523	3.3
203.11865	4.6
206.08386	29.9
207.08646	1.9
209.07103	4.3
209.10732	4.2
210.11360	3.6
211.08669	2.9
211.12254	15.3
212.10710	3.2
213.10155	2.5
214.08678	7.9
215.09489	3.9
219.09119	1.9
220.09990	5.4
221.10724	14.1
221.12735	3.0
223.08636	9.8
224.09428	12.9
225.10172	3.1
227.08167	7.2
227.11818	2.4
230.11757	6.4
232.09673	3.7
233.10408	1.8
237.10011	7.9
238.10962	12.1
239.08208	3.9
239.11763	33.1
239.14021	2.5
241.09668	4.4
243.11304	2.2
244.12000	10.5
248.12688	2.1
254.10667	2.5
257.12787	14.1
257.15189	1.9
258.11188	9.3
261.12372	1.8
262.13254	3.4
267.11276	79.6
268.11823	3.4
272.11484	7.9
275.13940	10.4
276.12332	12.6
285.12323	100.0
286.12842	3.6
290.12573	6.8
293.14941	3.9
303.13388	67.5
304.11893	6.5
321.10727	2.8
321.14499	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22910	4.1
58.20966	4.6
64.58081	4.3
65.03930	5.8
67.05511	20.9
69.03426	6.7
70.06619	4.7
71.04989	10.7
71.29878	4.6
71.30260	5.0
71.92976	4.8
79.05495	10.9
81.07069	13.7
83.04980	18.2
83.30933	4.4
84.08990	4.3
85.02906	37.4
85.06557	12.5
91.05470	9.7
93.07019	5.7
94.06579	10.6
94.80000	4.7
95.04970	14.9
95.08609	47.6
96.08163	4.9
97.02918	9.5
97.06555	6.9
105.07030	7.6
108.08122	11.6
111.05622	5.1
113.09649	15.6
119.04966	13.6
119.08538	6.8
120.08139	8.6
122.06043	11.7
123.08106	25.0
127.03935	6.9
136.07610	13.8
138.05510	23.3
139.03940	4.7
141.09137	54.0
141.76097	4.5
142.06525	5.9
142.09547	5.0
146.08469	5.4
147.04427	53.7
148.07576	9.0
152.07109	7.4
156.06596	11.4
158.09686	5.8
159.10208	11.7
160.07608	15.1
166.08635	7.9
173.07141	7.1
174.07895	6.9
177.52344	5.6
184.11237	7.3
189.10239	9.6
196.09943	14.7
197.10739	5.1
201.10291	6.6
203.11714	5.7
206.08418	28.3
211.12276	14.2
212.10864	6.2
220.09966	5.0
221.10709	10.9
223.08734	8.4
224.09488	15.4
237.10139	6.6
238.11259	10.6
239.11780	32.3
244.12062	13.1
257.12869	13.7
258.11328	9.6
267.11310	65.2
268.11673	5.4
276.12329	12.9
285.12341	100.0
290.12427	6.5
291.13406	5.1
303.13330	55.6
321.10690	15.3
321.14392	39.1
322.12878	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2423
Annotation	11R,12S-EpETrE
Peak:m/z	Relative Intensity
53.03949	1.3
55.01863	1.4
55.05512	48.9
56.05836	1.0
56.70399	0.4
57.03426	1.6
57.07071	2.0
63.36935	0.4
65.03942	0.8
65.54790	0.4
67.05170	0.8
67.05504	9.6
69.03425	2.0
69.07069	19.9
69.99372	1.5
70.07403	0.5
71.05006	2.3
73.06553	0.5
79.05486	5.7
81.07060	22.2
82.07383	0.8
83.04978	1.3
83.08624	4.9
85.06552	1.9
85.51457	0.4
87.08125	1.1
91.05472	5.2
93.07050	16.2
94.07368	0.6
95.04974	7.4
95.08611	18.0
96.79457	0.4
97.06553	2.8
97.10170	100.0
98.10489	2.1
98.22688	0.5
99.08089	1.3
99.11368	0.5
101.58031	0.5
105.07028	12.5
106.07372	0.9
107.08595	15.8
109.06523	3.7
109.10154	14.2
110.10517	0.7
111.08067	2.1
111.11709	1.6
113.09650	0.7
115.07553	0.6
117.07053	1.3
119.08582	14.4
121.06545	1.1
121.10152	9.4
123.08061	2.7
123.11713	6.4
125.06026	0.5
125.09631	19.8
126.09988	0.6
131.08543	2.8
132.10170	0.8
133.10129	6.4
135.08044	1.1
135.10672	0.6
135.11688	10.4
136.12053	0.9
137.09615	1.7
137.13264	1.6
139.11172	1.9
141.09068	0.7
143.10677	36.6
144.11032	1.3
145.10132	3.5
147.11681	8.7
149.09610	1.1
149.13254	7.2
151.07558	0.7
151.11131	2.3
151.14787	0.7
153.12779	0.9
157.10133	1.2
157.12233	1.3
159.11685	5.1
161.13251	6.9
163.11205	2.3
163.14825	1.6
165.09128	0.8
165.12770	4.5
167.14397	0.5
171.10188	3.8
171.11621	0.9
173.13254	2.7
175.11124	0.5
175.14836	2.1
177.12747	3.5
177.16330	0.8
179.14336	3.7
181.12268	0.6
185.13405	0.5
187.14882	3.4
189.11232	4.1
189.12738	0.9
189.16422	0.6
191.14305	1.1
193.15982	1.0
195.13809	0.7
201.16406	1.5
205.15851	1.1
209.15338	0.7
230.21156	1.0
247.16881	0.7
257.22684	1.4
261.22089	0.8
267.21066	1.0
267.63226	0.4
275.23672	3.8
277.21521	0.9
285.22137	2.5
285.24777	0.5
303.23178	17.1
304.23679	0.9
321.11392	0.7
321.24231	31.8
322.24561	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2424
Annotation	11,12-EpETrE
Peak:m/z	Relative Intensity
52.45257	0.8
53.03936	3.0
55.01865	1.6
55.05512	54.3
57.03424	3.7
57.07084	4.3
58.91561	0.8
59.05006	0.8
59.84237	0.8
65.03939	1.7
67.05503	18.7
69.03424	4.8
69.07069	28.4
70.07402	0.8
71.04987	3.6
71.18584	1.6
73.06571	1.0
77.91795	0.7
79.05495	10.9
81.03429	4.6
81.07057	38.6
82.07387	1.5
83.04975	3.9
83.08615	9.1
85.06542	6.1
86.09699	2.4
87.08111	1.5
91.05471	9.5
93.07041	29.1
94.07352	1.0
95.04968	39.8
95.08607	43.8
96.08929	1.0
97.06528	5.3
97.10170	85.9
98.10490	2.7
99.04443	1.1
99.08069	2.4
103.05505	0.9
105.07033	25.1
107.04921	1.3
107.08597	27.5
109.06517	10.5
109.09444	1.6
109.10155	23.8
111.04430	0.9
111.08069	2.9
111.11657	2.2
113.09627	1.9
115.07537	1.4
117.07011	3.7
119.08577	24.1
121.06507	3.1
121.10143	20.6
123.08077	9.0
123.11712	12.2
125.09629	19.0
127.07473	0.9
129.07037	1.5
131.08600	7.2
133.10123	12.5
135.08063	3.5
135.11700	11.3
137.09602	6.2
137.13255	2.9
139.11162	3.3
141.09085	4.6
143.08487	1.8
143.10674	30.4
145.06482	0.8
145.10109	10.3
147.11691	15.1
149.09671	4.4
149.13266	9.1
151.07542	2.6
151.11172	3.7
151.14693	1.3
157.10118	2.4
157.12206	1.5
159.11691	10.0
161.09627	1.2
161.13261	13.8
163.11147	5.9
163.14844	3.3
165.09048	1.6
165.12743	7.7
167.14343	0.9
169.10309	0.9
171.10210	2.1
171.11673	1.7
173.13292	4.9
175.11188	1.4
175.14854	3.7
177.12781	6.0
177.16438	1.2
178.13493	2.7
179.14320	18.4
181.12207	1.2
183.11678	1.3
185.13254	1.4
187.14859	3.6
188.07019	1.0
189.11198	4.5
189.16402	2.8
191.14345	2.3
191.17799	1.2
192.97252	0.9
193.15883	1.8
195.13759	1.5
199.07430	0.9
199.14793	1.1
201.16383	2.6
205.15900	3.0
209.15414	1.1
211.14850	1.2
213.16319	1.1
218.07289	1.4
219.17441	1.7
229.19521	1.4
243.17522	0.9
246.06778	3.0
247.07666	1.3
247.16982	2.3
257.19116	1.1
257.22668	1.3
261.09088	5.3
263.07120	1.1
267.21240	1.5
275.23660	7.2
277.21689	1.3
285.22168	2.7
289.08554	6.0
290.09140	1.6
303.19702	1.0
303.23151	20.3
304.23471	1.6
321.11334	2.9
321.24243	100.0
322.11594	2.0
322.24686	7.0
322.87354	0.9
334.64786	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43802	0.2
52.50917	0.2
69.33632	1.3
98.97549	0.2
101.00877	0.6
119.01924	1.1
122.97824	0.3
123.98619	0.3
134.99844	0.3
140.98817	0.5
158.99895	1.6
172.86345	0.2
177.00954	13.0
178.01051	1.5
182.99828	1.8
196.94478	0.4
201.00931	7.8
202.01079	0.6
214.95557	0.5
216.98840	0.2
218.03595	2.1
219.02003	100.0
220.02121	10.9
221.02348	0.6
224.02553	0.4
232.96588	0.2
237.03181	0.2
237.97107	0.2
238.95593	2.5
239.70448	0.2
239.95702	0.3
242.03604	3.8
243.03772	0.4
256.96616	8.0
257.96674	1.0
260.00201	0.2
260.04651	2.7
261.02972	0.9
262.95688	0.4
271.45984	0.2
274.97684	2.4
275.97797	0.2
278.01019	0.3
279.98233	1.5
280.96414	1.3
283.00037	0.4
297.99414	1.7
298.18835	0.2
298.97684	32.7
299.97794	3.1
301.01129	0.3
316.95538	0.2
316.98859	0.4
319.54462	0.2
321.99216	2.5
322.99374	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1288
Annotation	dehydrohistidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
53.03949	0.9
54.51465	0.4
55.01868	0.9
55.06882	0.9
57.03449	2.4
59.05016	0.7
61.02929	4.8
69.03432	12.2
69.81618	1.8
70.06589	0.8
71.01342	0.6
71.04991	1.5
72.60645	0.4
73.02920	4.4
79.05509	0.7
80.59223	0.4
81.03431	3.0
81.45473	0.4
83.01360	0.6
85.02911	14.3
87.04462	2.9
91.03978	0.9
91.05481	0.9
95.04978	0.7
97.02899	6.1
99.04443	2.1
101.02369	1.0
107.04940	1.3
109.02905	1.4
111.04459	0.6
115.05467	4.7
117.05775	0.9
117.07041	1.3
118.06562	0.8
119.04941	1.9
123.04463	0.8
123.05577	2.0
127.03911	2.3
130.06564	5.3
131.07381	0.5
132.08096	9.7
138.79660	0.5
139.03874	0.6
142.03246	1.6
142.06541	34.0
143.07321	8.1
144.08098	15.9
145.05054	0.6
145.06459	1.0
145.08519	0.6
147.04442	4.0
148.04773	0.8
148.11220	0.8
155.06055	1.1
156.08116	0.5
158.04813	0.7
158.06004	4.0
159.06744	2.6
160.07591	97.6
161.05972	0.7
161.07941	2.8
171.04442	0.5
172.07581	1.0
180.07707	0.8
186.05728	0.5
189.05476	1.1
199.03842	0.8
202.08609	1.3
217.05019	1.9
232.33597	0.4
253.13290	0.5
263.05667	1.0
268.11920	0.4
322.12860	100.0
323.05246	0.8
323.13290	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	1.5
55.05515	2.3
57.03434	2.4
61.02903	1.9
66.92212	1.2
67.05499	1.5
69.03423	4.2
70.06585	2.8
71.29602	1.6
72.83161	1.2
74.27755	1.0
78.79470	1.1
79.05486	3.7
81.03378	1.5
81.07049	3.0
83.04984	5.8
83.08617	1.9
85.02908	11.4
91.05486	5.4
97.02887	4.2
105.07030	2.4
107.08589	53.7
109.02886	1.6
109.06551	1.5
112.07620	1.4
119.04958	2.6
120.05273	2.6
125.09624	100.0
126.10007	3.2
127.03934	2.0
132.08049	1.6
133.06471	1.5
137.05956	1.4
142.06520	4.4
145.04985	1.5
146.06024	1.7
147.04391	11.1
148.04758	10.1
160.07573	45.8
172.44806	1.2
174.10722	1.2
230.08192	1.2
249.05563	2.7
291.10086	1.9
295.05936	2.5
322.12918	2.5
323.05392	5.6
323.12720	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	22.7
58.55362	6.8
67.05503	34.4
69.07069	27.6
69.92313	19.7
76.55472	7.2
79.05487	29.0
81.07053	100.0
82.15493	6.8
83.08617	8.3
91.05494	19.1
93.07033	47.3
95.05009	8.3
95.08602	50.0
105.07047	28.2
107.08576	37.9
109.06535	8.1
109.10155	17.5
111.08109	13.7
116.71472	9.1
117.07033	8.9
119.08617	20.9
121.06455	7.9
121.10162	25.1
131.08534	10.3
133.10156	15.5
134.00917	7.8
135.11664	13.9
147.11740	10.2
149.13229	13.5
151.11217	10.8
155.15254	8.4
157.10135	14.0
169.10074	8.8
177.16338	9.9
201.16283	12.2
221.13394	10.3
223.14587	11.9
264.07498	9.4
277.09167	8.1
303.32184	7.5
322.11896	9.8
323.09113	31.3
323.12558	22.4
323.20047	24.9
324.49255	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11677	3.8
70.04488	17.5
76.29843	4.2
78.41635	4.4
122.49819	4.3
132.02847	4.5
143.01889	4.9
153.24689	4.7
159.53349	5.0
161.02921	6.0
169.51479	4.5
217.51035	4.1
256.44928	4.4
323.07376	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0913
Annotation	8-methyltetraphene-1,5,6,11,12-pentol
Peak:m/z	Relative Intensity
52.59270	0.2
55.01852	0.2
62.27436	0.2
69.07050	0.5
69.15775	0.7
69.16191	1.0
81.07029	0.3
81.28017	0.2
85.06518	0.2
91.05475	0.3
93.07024	0.3
94.23767	0.2
105.07016	0.7
107.08568	0.3
109.35744	0.2
119.08610	0.4
124.40514	0.2
128.06223	0.5
129.06998	0.4
131.08548	0.2
133.10098	0.3
141.06996	0.6
142.07756	0.8
143.08571	0.8
145.10161	0.6
152.06117	0.3
153.06972	0.8
155.08559	1.0
157.10121	1.2
159.11676	0.3
165.06973	2.2
166.07768	1.6
167.08484	0.7
168.09315	0.4
169.10164	1.0
170.07213	0.2
171.11722	0.4
176.06224	0.6
177.07005	2.0
178.07761	0.9
179.04993	0.3
179.08533	1.8
180.05688	0.3
180.09293	0.3
181.06482	0.8
181.10075	1.5
182.10742	0.2
183.08086	0.3
183.11745	1.4
189.06944	0.2
190.07677	0.3
191.08531	0.8
192.05574	0.2
192.09378	0.6
193.06403	1.0
193.10127	1.6
194.07269	4.9
194.10794	0.3
195.07977	0.8
195.11710	1.1
197.13184	0.4
198.06645	0.2
204.05763	0.4
205.06474	4.9
205.09908	0.2
206.07191	1.4
206.10889	0.9
207.04451	0.5
207.08092	1.0
207.11705	2.2
208.05226	0.4
208.12424	0.3
209.06036	1.0
209.09613	1.5
209.13278	0.8
210.03035	0.3
210.06454	0.3
211.14850	0.2
217.06430	0.3
219.08087	0.8
219.11682	0.4
220.05135	0.6
220.12328	0.4
221.05952	2.1
221.09589	0.3
221.13216	2.0
222.06750	11.6
223.03873	1.2
223.07394	2.0
223.14777	0.4
224.04665	0.2
224.08272	0.7
224.15712	0.2
225.05536	0.3
225.09106	0.2
225.12631	0.2
233.05966	4.8
234.06715	1.6
234.14076	0.3
235.07549	2.7
235.14828	0.9
236.04613	0.8
236.08058	0.5
237.05508	2.5
237.09085	6.3
238.06303	1.1
238.09544	0.4
239.06863	0.2
247.07579	0.6
247.14705	0.2
248.04668	0.4
248.15387	0.4
249.05452	3.3
249.16385	0.3
250.06230	10.7
251.03391	6.9
251.06987	4.8
252.03813	0.7
252.07787	5.4
253.08322	0.7
261.05438	2.7
262.06186	4.2
263.07007	8.4
263.14020	0.3
263.17926	1.4
264.04291	0.6
264.07703	1.9
264.18381	0.3
265.04959	15.1
265.08582	14.8
266.05667	5.1
266.08923	1.3
267.06345	0.9
267.10117	0.4
267.13699	0.5
275.07062	0.6
276.07907	0.4
277.04999	1.0
277.08572	2.3
277.19443	0.3
278.05740	2.4
279.02914	1.3
279.06497	4.8
279.13589	0.2
280.03894	0.8
280.07266	17.3
281.07669	1.6
281.15195	0.4
290.05698	1.1
291.03201	0.3
291.06497	7.3
292.07224	2.3
293.04440	15.6
293.08057	13.1
294.05154	9.6
294.08627	2.2
295.05893	1.1
295.09592	7.4
295.12991	0.4
296.09976	0.4
305.08069	4.6
305.19031	0.4
306.08423	0.7
307.05997	8.8
308.06757	12.4
309.07297	2.5
321.07452	0.4
322.08188	0.3
323.09116	100.0
323.19891	9.2
324.09579	11.1
324.20380	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0913
Annotation	8-methyltetraphene-1,5,6,11,12-pentol
Peak:m/z	Relative Intensity
55.01847	0.2
69.37480	0.7
72.15800	0.1
96.93352	0.1
139.05403	0.2
142.07820	0.1
144.07397	0.1
151.05403	0.2
152.06215	0.3
153.06955	0.5
164.06267	0.1
165.06995	2.1
165.08344	0.1
166.07788	1.8
167.04892	0.2
167.08580	0.3
168.05630	0.1
169.06526	0.2
170.07199	0.4
176.04788	0.1
176.06117	0.8
177.06981	1.9
178.07761	1.2
179.08508	0.9
180.05644	0.3
181.06482	0.9
181.10097	0.3
189.06914	0.3
190.07837	0.3
191.08485	0.7
192.05661	0.2
193.06490	1.1
194.07260	4.6
195.04430	0.2
195.08015	1.0
196.05153	0.3
197.05864	0.1
198.06729	0.3
204.05711	0.2
205.06468	5.4
206.07144	1.0
207.04364	0.5
207.08015	1.1
208.05132	0.4
209.05988	1.2
209.09566	1.3
210.03194	0.2
212.04764	0.1
218.07307	0.2
219.07974	0.8
220.05164	0.5
221.05972	1.7
221.09431	0.2
222.06735	11.3
223.03903	1.4
223.07393	2.2
224.04767	0.1
224.08298	0.7
225.05443	0.2
225.08997	0.2
226.05959	0.2
232.05092	0.2
233.05969	4.4
234.06679	1.9
235.03818	0.3
235.07539	2.9
236.04636	0.5
236.08118	0.6
237.05437	2.7
237.09070	6.1
238.06183	1.1
238.09402	0.4
239.06877	0.2
239.10559	0.2
245.06024	0.1
247.03860	0.3
247.07487	0.6
248.04578	0.5
248.08281	0.1
249.05460	3.9
249.09137	0.3
250.06230	11.2
251.03366	6.8
251.06932	5.2
252.03981	0.8
252.07771	5.5
253.04855	0.2
253.08481	0.6
260.04691	0.2
261.05478	3.1
262.06226	3.8
263.07013	8.5
264.04205	0.4
264.07623	1.7
265.04926	15.0
265.08551	15.7
266.05640	5.4
266.08890	1.3
267.06354	1.0
267.10150	0.4
275.07019	0.4
276.07809	0.3
277.04938	1.2
277.08554	2.4
278.05728	2.6
278.08783	0.3
279.02887	1.4
279.06451	4.6
280.07269	19.1
281.04367	0.5
281.07739	1.9
289.04929	0.2
290.05814	1.0
291.06491	7.4
292.07150	2.7
293.04413	16.3
293.08023	12.8
294.05240	11.3
294.08554	1.9
295.05820	1.8
295.09604	7.5
295.12460	0.2
296.06946	0.2
296.09958	0.6
305.08066	6.5
306.08478	0.4
307.05994	8.9
308.06738	13.7
309.03915	0.3
309.07373	2.4
312.72626	0.1
321.07495	0.3
322.07767	0.1
323.09100	100.0
324.09561	9.7
346.79068	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0913
Annotation	8-methyltetraphene-1,5,6,11,12-pentol
Peak:m/z	Relative Intensity
55.01842	0.4
67.68075	0.2
69.13748	0.9
69.14166	0.5
90.45594	0.2
141.06969	0.2
142.07774	0.2
152.06184	0.4
153.06972	0.4
165.06995	1.8
166.07780	1.9
167.08409	0.2
169.06441	0.2
170.07224	0.3
176.06166	0.6
177.07008	1.6
178.07748	1.3
179.08507	1.0
180.05658	0.4
181.06425	0.7
181.10074	0.5
182.07121	0.3
189.06946	0.3
190.07800	0.4
191.08524	0.8
192.05641	0.5
193.06499	1.5
194.07242	4.6
195.08023	1.2
196.08742	0.3
198.06732	0.3
204.05621	0.4
205.06467	4.3
206.07179	0.9
207.04364	1.0
207.08000	1.1
208.05168	0.4
208.08528	0.2
209.06010	1.3
209.09641	1.6
210.06656	0.4
217.06610	0.3
219.04443	0.2
219.08089	1.1
220.05090	0.6
221.05971	2.1
221.09579	0.3
222.06752	13.0
223.03949	2.0
223.07428	2.3
224.04550	0.3
224.08319	0.8
225.05421	0.3
225.08856	0.2
232.05263	0.3
233.05975	3.4
234.06702	1.7
235.03958	0.4
235.05098	0.2
235.07533	3.1
236.04723	0.7
236.08118	0.5
237.05487	3.1
237.09079	6.2
238.06181	1.4
238.09401	0.4
239.06679	0.3
242.98540	0.2
245.05884	0.2
247.03978	0.3
247.07530	0.5
248.04599	0.4
248.07997	0.2
249.05458	4.4
249.08194	0.3
249.09132	0.3
250.06235	9.8
251.03360	9.5
251.06931	5.8
251.09660	0.2
252.04047	1.0
252.07787	5.8
253.05171	0.3
253.08331	0.8
261.05475	2.3
262.06219	3.9
263.07007	7.9
264.04224	0.6
264.07678	2.1
265.04932	19.3
265.08542	14.1
266.05652	6.6
266.08929	1.3
267.06384	1.0
267.10110	0.6
275.06998	0.6
276.07733	0.3
277.04953	1.5
277.08560	3.5
278.05792	2.2
278.08707	0.4
279.02878	1.9
279.06439	4.8
280.03900	1.0
280.07272	23.1
281.04440	0.3
281.07596	2.2
289.05008	0.2
290.05695	1.1
291.03198	0.4
291.06488	6.8
292.07202	3.5
293.04416	18.0
293.08020	11.7
294.05237	12.4
294.08630	2.0
295.05841	1.9
295.09613	8.8
295.13013	0.3
296.09970	0.7
304.07425	0.2
305.04520	0.3
305.08060	7.1
306.08450	0.7
307.05994	9.3
308.06750	13.5
309.07370	2.3
321.07669	0.5
322.08237	0.3
323.09113	100.0
324.09598	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0913
Annotation	8-methyltetraphene-1,5,6,11,12-pentol
Peak:m/z	Relative Intensity
65.27186	0.2
69.11336	2.1
71.13957	0.2
71.75584	0.2
71.98074	0.2
73.48676	0.2
81.07063	0.4
87.33230	0.3
93.07056	0.3
105.07020	0.4
107.08612	0.3
109.03373	0.3
109.10154	0.2
118.85823	0.2
128.13318	0.2
141.06947	0.3
143.08563	0.2
152.06219	0.4
153.06978	0.4
155.08580	0.2
157.10092	0.4
162.77280	0.3
165.06982	1.7
166.07829	1.6
167.04947	0.3
167.08591	0.6
168.55759	0.2
170.07266	0.2
176.06207	0.7
177.07002	2.0
178.07782	1.6
179.08586	1.2
180.05682	0.3
181.06453	0.7
181.10139	0.5
183.11754	0.4
189.07014	0.4
190.07765	0.4
191.08521	0.4
192.05643	0.3
192.09482	0.3
193.06483	1.2
193.10153	0.3
194.07269	4.9
195.08012	0.8
197.09578	0.3
203.84810	0.3
204.05701	0.5
205.06465	5.2
206.07213	1.1
207.04318	0.3
207.07976	1.2
207.11565	0.5
208.05156	0.3
209.05980	1.6
209.09619	1.6
210.06859	0.4
219.08073	1.3
220.05219	0.4
221.05933	1.7
221.13254	0.3
222.06757	11.4
223.03879	1.4
223.07434	2.1
224.04715	0.3
224.08348	0.6
226.06123	0.3
226.20032	0.2
233.05943	5.0
234.06650	1.6
235.07513	3.4
236.04698	0.8
236.08003	0.6
237.05478	3.0
237.09084	6.1
238.06203	1.3
239.06885	0.4
247.07631	0.5
248.04672	0.3
249.05458	3.6
249.08238	0.3
249.09070	0.3
250.06242	11.6
251.03386	7.3
251.06969	5.5
252.03958	0.9
252.07800	5.6
253.08569	0.7
261.05429	3.4
262.06229	4.7
263.07028	8.6
263.17987	0.3
264.04349	0.4
264.07733	2.3
265.02103	0.6
265.04959	15.9
265.08585	16.3
266.05655	5.6
266.08926	1.2
267.06519	0.6
267.10129	0.3
275.07108	0.5
276.07861	0.3
277.04962	1.2
277.08536	2.6
278.05774	2.9
279.02866	1.2
279.06479	4.9
280.03970	0.7
280.07278	20.6
281.04837	0.4
281.07800	1.4
290.05634	0.9
291.03180	0.5
291.06488	8.0
292.07190	3.3
293.04440	15.9
293.08047	13.6
294.05167	10.7
294.08661	2.2
295.05878	1.4
295.09576	7.8
295.12979	0.4
296.06982	0.3
296.09976	0.6
305.08047	5.9
305.11285	0.5
306.08392	0.6
307.06009	9.4
308.06747	13.2
309.07297	2.3
323.09113	100.0
324.09570	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1277
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
50.01602	0.3
50.14749	0.3
51.02391	1.0
53.03937	1.2
55.01861	1.2
61.04631	0.3
63.02355	0.4
65.03912	0.3
69.57069	1.2
69.57482	0.6
71.47317	0.3
77.03926	1.7
79.05494	5.2
81.07043	0.4
83.58558	0.4
91.05481	4.9
92.06251	1.3
93.07045	1.0
95.04964	2.0
98.23369	0.4
98.86529	0.3
103.05468	19.6
104.05749	0.5
104.06328	0.5
105.03385	1.5
105.07027	14.1
106.07329	0.4
107.04953	3.7
115.05450	3.5
116.06245	0.6
117.07034	3.4
119.04935	2.6
120.05724	1.1
121.06511	6.6
128.06213	1.6
129.07014	1.8
130.04120	0.9
131.04929	44.1
132.05707	1.0
133.06490	59.2
134.06825	1.8
135.04413	100.0
136.04695	2.3
137.05971	1.2
140.01500	0.3
141.06993	0.9
143.04910	2.9
143.08539	0.7
144.05669	1.1
145.06476	9.8
147.04416	0.9
148.05193	1.1
149.05978	18.0
150.06270	0.5
151.07521	0.5
153.07007	0.7
155.05984	0.7
156.05678	1.0
157.06506	3.2
158.07219	0.7
159.04411	9.6
160.05211	3.3
161.05977	49.7
162.06319	1.7
163.07527	1.8
165.06999	0.5
169.06421	0.7
169.60464	0.3
171.04381	1.7
171.08025	1.7
172.05229	0.7
173.05969	8.6
174.06639	0.6
175.07570	1.0
179.08536	0.7
185.05991	4.3
186.06789	4.2
187.07532	5.4
191.08507	0.5
192.09312	0.5
194.07332	0.4
195.07967	0.3
199.07520	0.7
201.09079	2.5
202.07764	1.3
203.08444	0.5
207.07913	0.9
207.11649	0.8
209.09596	0.4
217.10120	1.6
219.07959	0.5
220.08806	1.4
221.09508	0.4
223.07703	0.3
233.09654	0.8
235.11162	3.3
237.09117	0.4
245.09558	2.3
247.07707	1.0
248.08351	1.1
263.10638	3.2
264.11319	0.4
265.12320	0.7
275.10638	0.4
291.10236	0.5
293.11710	12.1
294.11853	0.7
305.11563	0.6
307.09335	0.4
308.10419	18.0
309.10797	1.3
322.79053	0.3
323.12762	74.6
324.13086	5.6
326.11548	1.7
334.77158	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1278
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
50.54848	0.8
53.03933	1.3
55.01846	1.1
62.81529	0.9
67.05515	1.1
69.01485	8.7
69.07055	1.2
77.03934	1.5
79.05503	5.4
81.07061	2.2
91.05482	6.4
92.06226	0.9
93.07060	1.8
95.04965	2.0
95.08619	2.1
97.25658	0.8
103.05472	18.5
104.06260	1.1
105.03394	1.4
105.07034	12.2
106.07349	0.9
107.04949	4.7
107.08572	1.9
109.10164	1.4
115.05427	4.2
117.07021	2.6
119.04935	2.3
120.05691	1.0
121.06498	6.0
121.10112	1.3
128.06218	2.2
129.06989	3.2
130.04092	1.0
131.04933	40.9
133.06494	55.1
134.06821	2.6
135.04414	86.8
136.04805	1.5
137.05971	2.5
143.04930	3.5
143.08586	1.3
145.06499	8.0
147.04401	1.1
148.05170	1.6
149.05986	16.4
150.06320	0.8
157.06549	4.6
159.04425	7.3
160.05194	3.3
161.05980	48.0
162.06305	1.4
163.07552	2.4
165.07050	1.2
171.04488	1.3
171.08023	1.5
173.05998	7.5
175.07500	1.9
178.07852	1.0
181.06526	0.9
185.06010	4.8
186.06735	2.4
187.07584	4.3
188.30984	0.8
189.07057	1.1
191.08604	1.8
193.10075	1.3
194.91617	0.9
195.08046	1.2
199.07518	1.4
201.09096	1.7
202.07782	4.0
203.08517	6.1
205.06514	1.4
207.07912	1.1
207.11678	1.1
217.10091	1.3
218.07291	1.0
219.08066	3.8
220.08861	6.2
221.09422	1.1
231.08026	9.5
232.08794	2.3
235.07491	2.0
235.11189	4.3
237.09219	1.9
245.09695	3.3
247.07552	3.0
248.08327	12.7
249.08980	2.7
259.07590	3.3
260.08261	2.5
262.06155	0.9
263.10672	12.8
264.11185	1.1
265.08572	3.7
275.10492	0.9
276.07925	4.2
277.08594	4.1
280.06876	0.9
280.10889	1.6
291.10098	14.3
292.10748	3.6
293.08090	7.2
293.11697	11.7
294.11884	1.2
308.06851	1.1
308.10403	15.7
323.12762	100.0
324.13095	7.1
326.11475	2.5
346.52985	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1278
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
51.02378	1.0
53.03939	1.2
55.01863	1.3
57.66848	0.5
64.75989	0.4
65.03941	0.6
67.05505	0.8
69.07069	0.6
69.73489	1.0
69.73882	1.1
77.03895	2.1
79.05497	5.6
81.07051	1.3
83.08651	0.5
91.04957	0.7
91.05485	6.7
92.06255	1.2
93.07057	1.4
94.04163	0.7
95.04964	1.8
95.08597	0.7
102.04654	0.5
103.05475	16.4
104.06284	1.1
105.03404	1.6
105.04514	0.7
105.07037	13.2
106.07310	0.5
107.04964	4.0
109.06538	0.9
115.05466	3.8
116.06227	0.7
117.07043	3.1
119.04964	3.8
119.08591	0.4
120.05774	0.7
121.06511	6.3
122.03651	1.9
123.04504	0.5
123.08004	0.5
128.06229	1.2
129.07024	2.0
130.04150	1.0
130.07790	0.5
131.04930	36.5
132.05719	1.3
133.06493	46.8
134.06802	1.8
135.04414	100.0
136.04720	2.7
137.05977	19.1
137.07045	1.0
138.06311	0.5
141.06960	2.1
143.04892	3.0
143.08543	1.1
144.05672	1.3
145.06490	8.6
147.04364	1.4
148.05196	1.2
149.05977	16.9
151.07544	3.0
156.05695	1.1
156.53593	0.4
157.06483	3.8
158.07271	1.5
159.04414	9.2
159.07994	0.6
160.05206	3.5
161.05981	43.1
162.06343	1.2
163.07509	2.1
165.07001	0.6
169.06491	1.3
170.07275	0.4
171.04405	1.3
171.08047	2.1
172.05251	0.5
173.05978	7.8
174.06694	0.8
175.07570	2.1
179.08609	1.0
185.05984	4.2
185.42267	0.4
186.06721	4.2
187.07521	5.6
190.07787	0.9
191.08475	0.8
192.04146	0.5
192.09419	0.8
194.07289	0.5
195.07982	0.5
199.07565	5.5
200.08194	0.5
201.09105	7.8
202.07779	2.0
202.09436	0.5
203.08533	1.6
205.06529	0.7
205.10085	1.8
206.07063	0.5
207.08122	0.6
207.11624	0.7
215.08589	0.8
217.10086	1.8
218.07343	1.7
219.08189	1.0
220.08846	1.5
221.09531	0.6
222.10406	0.5
225.05531	0.5
226.51082	0.4
231.08099	1.6
232.08821	0.6
233.05919	0.5
233.09618	3.9
235.07538	1.4
235.11127	3.3
238.06247	1.2
245.09644	1.7
247.07487	1.7
248.08299	2.1
249.09251	0.5
250.09650	0.8
251.07045	0.9
259.07516	0.8
261.09134	2.5
262.06204	0.6
262.09903	0.9
263.07098	1.2
263.10669	5.8
264.08054	0.5
265.08655	1.4
265.12244	2.0
266.05679	0.5
268.07327	0.8
275.10733	0.8
276.07773	1.6
277.08411	0.7
278.09338	0.9
281.08203	3.5
291.10135	5.4
292.10547	0.8
293.08157	2.1
293.11716	11.5
294.08871	1.7
294.11972	0.9
295.09836	1.1
305.11694	1.0
307.09692	0.5
308.10425	18.3
309.10855	1.7
322.25885	0.4
323.12772	87.6
324.13144	6.9
326.11414	2.7
334.89233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1279
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
55.01888	0.7
71.31665	0.6
79.05128	0.5
79.05492	2.8
81.07079	1.2
89.03954	0.9
91.05513	2.0
93.88905	0.4
94.04224	0.8
95.05008	1.1
95.08641	0.6
102.04723	0.6
103.05472	3.3
105.07030	11.5
109.06558	1.0
109.10194	0.6
115.05457	9.3
115.06250	0.8
117.03407	0.8
117.07041	1.0
118.04242	0.7
121.06564	0.6
122.03711	1.6
128.06258	2.1
130.04158	0.6
131.04944	3.3
133.06494	9.0
133.07410	0.8
133.10164	0.5
135.04477	1.1
137.05980	13.8
139.05472	2.0
141.07031	1.0
143.06088	1.5
145.06493	0.8
146.03619	4.0
146.07259	2.5
147.04401	1.1
149.05940	4.1
152.97623	0.5
155.98190	0.6
156.05714	1.6
159.08047	1.1
160.05281	0.7
161.05978	41.0
162.06392	2.4
165.06950	0.9
167.04991	1.4
168.05707	1.2
169.06468	0.9
171.07986	2.6
175.07597	1.4
179.08589	0.8
184.05212	2.5
185.05898	0.6
189.07037	1.2
191.08504	4.0
192.09325	2.1
198.99159	0.6
199.07545	12.4
199.09279	0.9
200.08084	0.9
202.07762	18.9
203.08546	33.3
204.09146	1.9
205.06548	2.9
206.07185	0.7
207.08104	0.7
207.34602	0.6
213.06981	0.6
215.08591	1.5
218.07304	1.1
219.08035	8.0
220.08815	9.3
221.09547	1.5
221.13490	0.5
222.06715	0.5
229.06427	1.2
230.07224	4.6
231.08044	51.6
232.08746	7.3
233.06012	1.7
233.09494	1.0
234.06834	1.1
234.10478	0.6
235.07610	1.0
235.11197	2.2
237.09128	1.1
242.07390	0.6
243.07982	0.9
245.06067	0.8
245.09683	1.7
247.07532	6.3
248.08333	19.8
249.08978	3.7
258.06790	4.2
259.07550	45.1
260.08276	21.4
261.05627	0.6
261.08896	3.0
262.09860	1.4
263.10660	21.7
264.08286	0.6
264.11142	2.3
265.08572	2.6
273.08951	0.7
274.09888	0.7
275.06958	4.5
276.07803	15.5
277.08459	4.6
279.10236	0.9
280.10876	1.5
290.09412	1.0
291.10150	100.0
292.10684	12.9
293.08194	3.8
293.11307	0.8
295.09833	0.8
295.13165	6.1
307.09698	1.2
308.10449	5.1
323.09528	1.8
323.12747	49.4
324.13092	3.4
327.39258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2004
Annotation	12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one
Peak:m/z	Relative Intensity
50.66296	0.2
50.74651	0.2
53.03949	0.3
55.01867	0.2
55.05510	1.8
57.07083	0.4
63.27353	0.2
67.05498	1.2
69.07065	4.4
69.30167	1.1
70.07368	0.2
70.89661	0.2
79.05496	1.6
81.07054	4.7
81.92527	0.2
82.38075	0.3
83.04958	0.3
83.08628	0.5
85.06548	6.0
91.05484	2.4
93.07043	1.6
95.04979	0.4
95.08609	2.7
97.06535	0.2
98.22632	0.4
99.08092	0.5
105.07033	3.7
107.08590	1.4
109.06539	1.8
109.10159	0.4
115.05480	0.4
115.89787	0.3
117.07021	1.7
119.04963	0.2
119.08585	3.3
121.10178	0.5
123.08066	0.2
127.07545	1.7
128.06221	1.1
129.06985	2.2
131.08568	1.5
133.10152	1.3
135.07942	0.3
141.06979	4.3
142.07809	1.9
143.08569	4.3
144.08951	0.3
145.06453	0.2
145.10132	1.9
153.06992	0.6
154.07767	0.7
155.08549	15.1
156.09280	1.2
157.06496	0.6
157.10124	7.1
158.10474	0.3
159.08087	0.2
159.11671	1.0
165.06960	2.0
166.07803	1.4
167.08574	3.9
168.09331	1.2
169.06454	0.3
169.10118	5.2
171.08018	0.4
171.11676	2.3
172.12032	0.2
178.07701	1.4
179.08557	4.6
179.10411	0.3
179.10686	0.2
180.09296	1.8
181.10121	13.4
182.10916	2.2
183.08121	1.0
183.11674	4.1
184.12311	0.4
185.13206	0.6
191.08444	1.2
192.09309	3.5
193.10129	7.6
194.10893	1.9
195.07942	0.3
195.11682	7.5
196.12416	2.4
197.09634	0.5
197.13252	9.0
198.13667	0.4
199.11201	0.4
201.09091	0.2
204.09435	0.2
205.10136	1.7
206.10919	4.1
207.11682	14.2
208.12433	3.9
209.09975	0.3
209.13239	5.0
210.13803	0.5
211.11110	0.3
211.14815	0.5
213.12575	0.3
215.08412	0.2
215.10728	0.4
217.10284	0.3
217.12187	1.8
219.11682	2.3
220.12442	1.8
221.13252	16.1
222.13864	2.4
223.11234	0.8
223.14807	10.3
224.15297	0.9
225.12740	20.8
226.13098	0.9
231.13788	0.3
233.13229	4.1
234.10326	0.2
234.13948	1.9
235.14799	4.5
236.15465	0.6
237.16370	0.5
239.10689	0.6
239.14203	1.0
240.11284	0.2
241.12219	0.6
243.13835	0.5
245.13292	0.6
246.13849	0.5
247.14716	0.9
248.15587	3.1
249.12743	2.7
249.16377	4.8
250.17043	0.8
251.10861	0.3
252.11502	0.5
253.12177	1.4
254.12859	0.4
255.13817	1.7
261.16376	1.2
262.17078	0.5
263.14529	1.4
263.17938	22.1
264.18546	4.1
265.12308	0.4
265.19168	0.3
267.13785	14.2
268.14343	1.2
277.19516	2.6
280.14627	0.7
281.12778	0.2
281.15363	4.1
282.15985	0.4
287.17957	0.5
293.15378	0.4
294.16135	0.4
295.16882	2.1
305.18994	1.4
308.17694	2.2
323.20038	100.0
324.20383	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01860	0.3
55.05515	1.8
57.07055	0.8
63.32329	0.2
64.97790	0.2
67.05502	2.2
68.75972	0.2
69.07063	3.3
71.04988	1.6
71.08643	0.2
79.05486	2.2
81.07050	3.6
83.04990	1.3
83.08611	0.7
85.06544	2.3
91.05474	3.3
93.07042	3.2
95.04959	0.4
95.08611	4.1
97.06534	0.5
98.22677	1.0
98.23380	0.7
103.05479	0.5
105.07027	7.1
107.08595	3.2
109.06506	0.7
109.10141	0.7
111.04413	0.6
111.08071	0.6
113.05997	0.6
115.05423	1.1
116.06281	0.2
117.07010	2.1
119.08578	6.9
121.06508	0.4
121.10178	1.2
123.08060	0.7
127.07535	0.5
128.06215	3.9
129.07007	5.0
130.07741	0.8
131.07675	0.4
131.08565	3.9
133.10135	2.9
135.08052	0.7
135.11757	0.3
137.06041	0.2
137.09593	0.3
141.06992	2.7
141.08871	0.2
142.07780	7.8
143.08563	12.4
144.09161	0.4
145.10118	5.0
147.08031	0.6
147.11705	0.7
149.09613	0.5
152.06215	0.6
153.06955	1.4
154.07779	0.9
155.06041	0.2
155.08551	6.7
156.09328	1.5
157.10126	20.5
158.10590	0.8
159.08075	0.4
159.11705	2.3
161.09634	0.4
165.06961	3.5
165.09111	0.3
166.07785	1.5
167.08560	3.8
167.10704	0.4
168.09332	2.5
169.10127	5.9
170.10811	0.4
171.11676	3.8
172.12076	0.3
173.09653	0.5
173.13237	0.5
175.11174	0.4
177.09042	0.5
178.07777	2.8
179.06969	0.4
179.08549	7.3
179.10635	0.8
180.00627	0.2
180.09335	2.9
181.10115	9.2
182.10928	2.0
183.08003	0.3
183.11684	9.0
184.12340	0.9
185.09586	0.3
185.13248	1.4
186.13924	0.3
191.08539	2.4
191.10391	0.4
192.09329	7.2
193.10124	15.1
194.10876	5.0
195.11696	12.7
195.13551	0.4
196.12387	2.3
197.09631	0.5
197.13264	3.1
198.13742	0.3
199.11171	0.4
203.08676	0.2
203.10609	0.4
204.09320	0.3
205.10088	3.1
206.10892	5.0
207.11687	32.7
208.12373	4.5
209.09825	0.4
209.13258	9.8
210.13985	2.3
211.11191	0.8
211.14783	1.3
213.12793	0.3
215.10678	0.7
216.09270	0.4
217.10106	0.3
217.12184	0.6
218.10910	0.5
218.12968	0.3
219.11671	3.6
220.12456	2.5
221.13246	17.8
222.13893	1.9
223.11369	0.5
223.14806	6.1
224.15472	1.9
225.09196	0.3
225.12720	2.4
225.16283	0.6
227.10683	0.4
229.12231	0.9
231.11711	0.8
232.12497	0.5
233.13235	4.1
234.10559	0.3
234.13991	2.2
235.11041	0.6
235.14801	7.8
236.15282	0.5
237.12805	0.5
237.16405	1.4
239.10654	0.8
239.14326	0.5
241.12306	0.7
243.13783	0.4
245.13229	0.7
246.14024	0.7
247.14816	1.6
248.12006	0.3
248.15631	2.3
249.12738	2.9
249.16348	3.8
250.17195	1.9
251.10765	0.3
251.14394	0.3
251.17819	0.4
252.11375	0.4
253.12253	5.2
254.12904	0.9
255.13734	0.9
257.13181	0.3
261.16455	1.6
262.17133	0.6
263.14447	1.7
263.17929	15.5
264.18457	1.8
265.12302	0.7
265.19461	0.4
266.12973	1.0
267.13788	7.6
268.14487	0.8
269.15317	0.3
272.15530	0.5
275.14072	0.3
276.14627	0.2
277.16342	0.4
277.19525	3.4
279.06418	0.3
279.13715	0.3
280.14581	0.7
281.15421	2.2
281.18530	0.5
282.15707	0.4
287.17953	1.3
293.08029	0.3
293.15421	0.6
294.16190	0.5
295.16910	0.8
305.19006	2.9
306.19180	0.2
308.06754	0.3
308.17688	1.0
309.18457	0.5
323.20041	100.0
324.20450	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2006
Annotation	12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one
Peak:m/z	Relative Intensity
53.03944	0.3
55.01868	0.4
55.02395	0.2
55.05508	2.2
55.06651	0.2
57.07077	0.2
67.05509	1.8
69.07074	3.9
71.08631	0.4
71.30988	0.3
79.05499	1.5
81.06591	0.3
81.07063	5.0
83.04966	0.6
83.08627	0.6
85.06059	0.4
85.06548	5.3
85.92169	0.2
91.05495	2.3
92.67755	0.2
93.07054	2.3
95.04970	0.3
95.08607	2.9
99.08065	0.5
105.07036	5.4
107.08600	1.7
108.76193	0.2
109.06520	2.1
109.10149	0.3
111.08118	0.3
115.05453	0.6
117.07029	1.8
119.08587	4.2
121.06475	0.3
121.10143	0.8
123.08090	0.4
124.34625	0.2
127.07578	1.4
128.06262	1.5
129.07037	1.7
131.08586	2.1
133.10115	2.1
134.33496	0.3
135.08051	0.6
137.05980	0.4
141.06984	3.8
142.07797	3.3
143.08575	4.9
144.79996	0.2
145.06514	0.4
145.10132	2.3
147.08093	0.3
147.11719	0.5
149.09641	0.3
151.07576	0.3
153.07002	1.4
154.07768	0.9
155.08559	15.1
156.09265	1.0
157.06497	0.5
157.10132	10.7
158.10521	0.6
159.08023	0.3
159.11668	1.7
161.09677	0.3
165.07002	2.0
165.09126	0.5
166.07816	1.4
167.08559	4.4
167.10716	0.3
168.09312	1.7
169.10121	5.1
169.11496	0.3
171.08002	0.5
171.11671	2.7
173.09631	0.3
173.13335	0.3
178.07791	1.6
179.08578	5.4
179.10390	0.4
179.10677	0.3
180.09315	2.1
181.10124	13.4
182.10881	2.0
183.08063	1.0
183.11687	6.5
184.12384	0.8
185.09671	0.3
185.13211	1.6
187.11261	0.3
190.07639	0.3
191.08534	1.2
192.09352	4.4
193.10132	8.6
194.10893	2.7
195.07828	0.3
195.11713	8.2
196.12471	2.5
197.09566	0.4
197.13266	8.5
198.13647	0.4
199.07605	0.3
199.11169	0.5
203.08560	0.4
203.10390	0.2
205.10162	2.1
206.10915	4.8
207.11693	16.0
208.12402	3.8
209.13258	5.7
210.13928	0.5
211.11166	0.6
211.14813	0.5
213.09267	0.4
215.10588	0.3
217.10266	0.4
217.12268	1.5
218.10950	0.4
219.11681	2.6
220.12482	2.0
221.13255	15.5
222.13907	2.3
223.11264	0.5
223.12692	0.2
223.14827	10.0
224.15494	1.1
225.09164	0.7
225.12747	16.9
226.13156	0.5
231.11720	0.5
231.13844	0.2
232.12407	0.4
233.13268	3.9
234.10414	0.4
234.13959	2.2
235.11244	0.4
235.14815	6.0
236.15425	0.7
237.12740	0.3
237.16325	0.6
239.10675	0.6
239.14397	1.2
241.12213	0.6
243.13838	0.5
245.13338	0.5
246.13890	0.6
247.14752	1.2
248.15596	3.4
249.12711	2.3
249.16409	4.6
250.13211	0.3
250.17033	1.0
252.11572	0.4
253.12244	1.8
254.12831	0.3
255.13776	1.5
256.31366	0.2
261.16409	1.2
262.17084	0.3
263.14532	1.1
263.17944	21.3
264.15689	0.4
264.18536	3.4
265.04941	0.3
265.08569	0.4
265.12433	0.6
265.15604	0.3
266.12933	0.5
267.13797	13.1
268.14398	1.5
275.14279	0.3
277.19464	2.8
278.19833	0.3
279.06555	0.4
279.13858	0.3
279.96133	0.3
280.07208	0.4
280.14658	0.7
281.15399	4.2
281.18576	0.2
287.17847	0.7
292.15735	0.3
293.08118	0.4
293.15338	1.0
294.16281	0.3
295.16962	1.9
305.18997	1.5
305.21570	0.7
308.06595	0.4
308.17731	1.8
323.09805	2.0
323.20035	100.0
324.20401	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
53.42083	0.6
55.05513	9.4
57.03418	0.8
65.03898	0.9
67.05502	8.4
69.03419	1.3
69.07067	3.3
71.04987	0.6
71.31091	1.0
77.03881	0.7
79.05505	3.9
81.07056	7.5
83.04497	1.7
83.04982	29.6
83.08601	1.3
91.05483	7.9
93.06468	0.9
93.07037	12.7
95.04960	2.2
95.08601	16.4
96.08912	0.7
96.41486	0.6
97.06494	1.6
97.10142	2.0
99.04398	0.8
103.05464	0.9
105.06376	0.9
105.07026	12.7
107.08598	5.2
109.06497	2.4
109.10166	3.2
111.04439	12.7
111.08068	5.5
113.06005	1.1
114.87459	0.7
115.05434	2.5
117.06997	2.1
119.08579	5.8
121.06482	0.9
121.10128	2.3
123.08031	2.1
123.11689	1.2
125.05979	0.8
128.06192	4.7
129.07005	6.3
130.07765	1.8
131.08565	6.7
133.06517	0.7
133.10135	4.1
135.08035	1.1
135.11708	1.2
137.05963	1.7
139.07544	6.1
141.06992	10.1
141.09071	0.9
142.07782	12.5
143.08568	15.9
144.09312	1.5
145.10133	5.5
147.11598	1.1
149.09657	0.9
149.13251	1.0
152.06163	1.4
153.06996	10.3
154.07762	5.0
155.08549	30.6
156.09373	3.5
157.10121	17.7
158.10562	1.3
159.11673	1.7
161.09618	1.4
163.14679	0.7
165.06987	4.6
166.07765	3.7
167.08568	13.6
168.09349	35.1
169.10127	20.8
170.10782	2.8
171.08015	0.9
171.11649	5.2
173.13202	0.9
175.11165	0.9
178.07835	1.0
179.08553	6.9
180.09341	5.8
181.10124	18.2
182.10889	6.7
183.11690	100.0
184.12428	14.0
185.13249	16.9
186.13992	2.0
189.08992	0.7
189.79965	0.7
192.09309	1.6
193.10167	4.0
194.10933	7.2
195.11714	13.5
196.12465	7.0
197.09648	0.8
197.13243	11.7
198.13921	1.3
205.10095	1.3
206.10823	1.3
207.11766	4.3
208.12514	2.1
209.13245	36.0
210.10440	0.9
210.13876	3.0
211.11398	1.5
211.14815	10.4
212.15427	1.0
213.16393	6.4
215.10640	0.7
219.08102	0.9
219.11852	1.6
220.12442	1.3
221.09789	1.0
221.13257	3.1
222.13866	1.1
223.11264	0.9
223.14804	11.2
224.15582	40.9
225.12758	2.2
225.16238	8.3
229.12283	0.9
233.13286	1.4
234.13965	1.4
235.14766	3.7
237.16428	0.9
239.14365	1.0
243.13829	1.1
247.11215	1.0
247.14844	2.0
249.12646	0.8
249.16394	5.2
250.17137	1.0
253.12274	0.8
262.13644	0.8
263.14465	1.6
275.14609	1.2
277.16351	1.2
277.19516	3.9
280.12384	1.0
287.17889	1.8
293.13217	1.5
305.18997	4.3
308.15216	1.4
309.16159	0.9
323.16852	3.3
323.20065	67.4
324.20624	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2579
Annotation	8-HETrE
Peak:m/z	Relative Intensity
53.03938	2.1
55.05515	34.8
57.03428	2.5
57.07074	9.7
59.04991	2.2
67.05173	1.1
67.05507	33.4
67.88757	1.8
69.03424	2.9
69.07072	43.3
69.20925	15.1
71.05002	5.3
71.08631	3.9
71.43997	1.8
79.05491	19.8
81.07057	93.8
83.04981	10.3
83.08622	17.7
85.06533	4.6
86.54730	1.8
91.05479	15.2
93.07048	52.0
94.07372	2.4
95.04981	6.3
95.08608	100.0
96.08933	3.1
97.06534	15.1
97.10177	16.5
99.08103	3.5
103.05473	7.0
105.07029	30.2
105.93613	1.7
106.70604	2.0
107.04979	1.6
107.08593	57.8
109.06536	6.9
109.10159	52.3
111.08082	22.6
111.11721	6.7
117.06975	1.9
119.08581	23.3
121.06513	3.1
121.10146	39.9
122.10531	2.4
123.08097	4.5
123.11707	31.9
125.09641	13.0
130.63359	1.6
131.04926	16.3
131.08577	3.5
133.06491	22.0
133.07426	2.2
133.10141	21.2
135.04413	44.8
135.08151	2.1
135.11693	27.0
137.09608	5.6
137.13261	7.5
139.11203	8.0
143.08586	1.8
145.06517	3.8
145.10112	5.9
147.11688	15.9
149.05966	6.6
149.13263	40.8
151.11201	8.4
151.14812	1.7
153.12766	3.6
156.05930	1.8
159.04431	3.0
159.11713	6.3
161.05977	20.3
161.13255	12.2
163.11169	3.2
163.14830	14.5
165.12785	7.9
165.16386	4.7
167.14207	2.5
173.05865	2.1
173.13229	2.0
175.14824	10.7
177.12852	3.1
177.16405	8.2
179.14372	4.1
183.17607	1.8
187.14772	2.8
189.16359	13.8
191.17986	2.3
193.16006	3.3
195.17558	1.9
201.16354	2.2
203.17931	2.6
209.15498	2.4
213.16405	3.4
221.19139	2.1
249.18547	1.8
259.24234	7.1
263.10757	2.1
269.22751	3.3
275.23779	5.5
277.25284	17.5
287.23743	5.8
293.11749	3.3
293.24741	6.7
305.24756	35.3
306.25296	2.5
308.10513	6.3
309.19696	1.6
313.22775	2.1
323.12781	23.4
323.25754	22.7
324.12997	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.258
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03938	3.0
54.83662	1.8
55.05511	28.0
57.07066	7.8
59.04995	1.9
67.05506	33.6
68.93092	1.9
69.01829	2.0
69.03423	5.4
69.07067	37.9
71.04989	6.5
71.08624	2.7
71.30540	3.6
75.80373	1.7
77.03913	2.6
79.05490	22.2
81.07053	93.5
82.07407	2.5
83.04993	5.2
83.08620	19.9
85.06534	7.7
91.05473	12.2
93.07041	52.6
93.07623	2.7
95.04964	7.6
95.08603	100.0
96.08921	2.9
97.06538	20.1
97.10168	21.7
99.08068	4.2
105.07023	27.0
107.08586	49.0
109.06511	5.6
109.09442	3.9
109.10154	53.6
111.08094	16.1
111.11732	7.5
113.09666	2.5
117.06994	1.7
119.08575	26.4
120.09032	1.9
121.10138	34.2
123.08078	6.2
123.11696	21.5
125.09621	21.3
127.07512	1.9
131.08536	3.9
133.10117	18.7
135.08112	2.0
135.11687	27.2
137.05959	1.9
137.09607	6.2
137.13277	7.1
139.11182	6.3
145.10107	6.6
147.11679	14.7
149.13260	27.4
151.11192	6.1
153.12749	3.6
159.11711	6.6
161.13292	12.5
163.11240	3.8
163.14833	7.9
165.12746	7.1
165.16396	3.6
173.13309	3.8
175.14853	7.6
177.16402	7.4
179.14317	3.8
187.14708	2.0
189.16386	12.0
191.17958	4.0
193.15833	3.4
203.17943	2.8
207.17513	2.5
213.16380	2.8
257.22571	2.4
259.24216	6.8
269.22647	5.1
275.23697	3.2
277.25247	9.4
287.23721	6.7
293.24731	6.1
305.24719	24.3
323.25595	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2579
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03944	1.4
55.01867	1.2
55.05510	50.3
56.05836	0.5
57.03431	1.7
57.07075	3.1
59.05001	0.9
67.05505	8.9
69.03442	2.4
69.07067	29.1
70.52683	1.3
71.05002	1.2
72.52244	0.5
73.06555	1.0
79.05492	5.0
81.07055	29.0
82.07378	0.7
83.04984	2.1
83.08619	6.5
85.06541	3.1
87.08102	0.8
91.05482	2.2
93.07040	12.1
94.07323	0.6
95.04951	1.2
95.08604	30.6
96.08908	0.6
97.06536	4.0
97.10167	100.0
98.10466	2.4
99.08079	1.6
105.07045	4.5
107.08589	13.1
109.06519	1.4
109.10148	13.8
111.08075	4.4
111.11722	3.7
113.09609	0.6
115.11185	0.8
119.08556	4.7
121.10134	9.7
123.08072	1.4
123.11696	14.2
123.12550	0.9
125.09626	18.9
126.09993	0.5
131.08607	0.8
133.10132	3.4
135.11691	6.3
137.05978	1.4
137.09628	1.0
137.13254	5.4
139.11163	10.6
141.09116	0.5
143.10666	38.5
144.11075	0.8
145.10176	0.8
147.11665	2.3
149.09641	0.6
149.13242	8.9
149.14334	0.8
151.11153	1.8
151.14844	0.8
153.12714	2.9
157.12234	8.1
159.11731	1.4
161.05949	0.7
161.13271	2.9
163.11179	1.0
163.14825	4.6
165.09160	0.6
165.12776	1.3
167.14363	1.1
171.10153	4.3
175.14807	0.8
177.16362	1.3
179.14307	2.6
189.11192	6.7
189.16403	2.2
195.13734	0.7
203.12845	1.3
203.17908	1.0
205.15790	0.5
207.17442	0.8
209.15445	1.0
213.16286	0.5
231.17430	0.9
235.16805	1.1
237.09273	0.5
249.18530	1.2
259.24228	1.0
263.10788	0.8
269.22458	0.6
277.25220	2.5
280.10486	0.5
287.23618	2.0
291.10172	1.3
295.13174	0.5
305.24744	13.7
306.25031	0.9
323.09290	1.0
323.12778	3.1
323.25751	16.3
324.26093	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2581
Annotation	8-HETrE
Peak:m/z	Relative Intensity
50.03283	0.4
50.27942	0.5
53.03944	1.5
55.01865	0.6
55.05514	45.1
56.05851	0.7
57.03441	1.6
57.07079	1.3
61.02927	1.1
67.05502	6.3
69.03431	3.9
69.07068	16.9
69.69611	1.5
69.70020	1.1
70.32924	0.5
71.04989	1.6
71.08613	0.8
79.05500	4.5
81.03433	1.0
81.07061	18.2
83.05001	0.7
83.08620	3.6
85.02905	3.6
85.06557	1.7
87.08107	0.9
91.05492	3.8
91.65561	0.5
93.07040	9.9
95.04978	1.4
95.08613	14.8
97.02884	1.6
97.06533	2.2
97.10174	100.0
98.10516	1.9
98.23270	1.1
99.08069	1.0
99.77203	0.6
105.07032	7.1
107.08599	9.3
108.08979	0.6
109.06493	1.4
109.10158	7.1
111.08092	1.1
111.11742	1.1
115.05454	0.6
117.07012	1.5
119.08585	5.1
121.10154	6.2
123.08102	1.3
123.11707	7.7
125.09626	20.3
126.09953	0.6
127.03959	0.9
129.06987	0.9
130.07758	0.6
131.08560	2.3
133.10120	3.7
135.08080	0.5
135.11685	3.8
137.09624	1.2
137.13245	4.4
139.07562	0.5
139.11124	2.6
143.10680	42.7
144.11020	1.7
145.10141	3.3
147.11684	5.2
149.13277	4.6
151.11151	1.0
151.14853	0.9
153.09045	0.6
156.09236	0.6
157.10104	1.1
157.12218	1.0
159.11736	2.0
161.13232	3.8
163.14783	3.6
171.10185	4.8
171.11615	1.2
173.13197	1.5
175.14853	1.4
177.16391	1.1
179.10667	0.7
179.14340	2.1
185.13248	1.1
189.11211	5.6
189.12654	0.6
189.16411	0.8
197.13300	0.7
201.12627	0.7
203.08690	0.6
203.14412	0.7
207.17574	0.9
231.08083	0.5
231.21088	0.6
235.16800	0.6
249.18541	1.1
259.24155	0.6
273.97955	0.5
277.25305	0.8
291.10031	1.3
305.24738	10.8
323.05222	0.6
323.12677	1.0
323.18488	1.2
323.25830	11.6
324.26102	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2581
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
52.08505	0.4
53.03952	1.0
55.01892	0.3
55.05511	48.6
56.05860	0.5
57.03423	1.6
57.07077	1.5
59.05000	0.7
65.03957	0.4
67.05505	4.9
69.03426	0.8
69.07066	17.0
69.26135	2.2
71.04990	0.6
73.06559	0.5
79.05487	3.0
80.64789	0.3
81.07059	16.8
82.07391	0.5
83.04996	0.7
83.08615	4.4
85.06557	1.4
87.08104	1.2
91.05485	1.4
93.07043	5.9
95.04998	0.6
95.08607	14.9
96.08974	0.5
97.06530	1.6
97.10168	100.0
98.10488	2.5
98.22591	0.7
99.08087	1.2
105.07040	2.3
107.08588	7.8
109.06535	0.9
109.10155	8.6
111.08080	2.0
111.11726	1.4
113.09641	0.5
119.08570	2.9
121.10139	5.7
123.08060	0.8
123.11712	6.8
125.09630	17.3
126.10003	0.6
133.10126	2.3
135.11694	2.3
137.09595	0.9
137.13240	4.4
139.11211	3.1
143.10670	39.1
144.10982	1.3
145.10146	0.6
147.11696	1.3
149.13263	4.5
151.11147	0.5
151.14830	0.9
153.12749	1.2
157.12308	1.7
159.11623	0.7
161.13222	2.1
163.14827	3.3
165.09082	0.6
171.10168	4.3
175.14827	0.8
177.12708	0.5
177.16360	0.6
179.14302	2.5
189.11220	6.5
189.16425	0.7
198.53726	0.3
203.12703	0.5
207.13811	0.4
207.17502	0.5
209.15320	0.4
215.44972	0.3
235.16893	1.0
249.18500	0.7
259.24216	0.5
277.25354	0.9
287.23630	0.7
305.24762	9.2
306.25031	0.6
323.12741	0.4
323.22406	0.5
323.25851	9.2
324.09348	0.4
324.26001	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.258
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03941	1.4
55.01859	0.6
55.05512	46.9
56.05844	0.7
57.03432	1.4
57.07072	2.0
57.08292	0.4
59.05010	0.6
67.05508	5.6
69.03428	1.2
69.07068	19.1
70.07405	0.4
71.04994	1.0
71.08630	0.7
71.30539	0.5
73.06552	0.5
79.05490	3.5
81.07059	21.8
83.05009	0.9
83.08617	5.0
85.06534	2.1
87.08116	1.1
91.05478	1.6
93.07045	7.8
95.04943	0.4
95.08609	18.5
96.08315	0.3
96.08936	0.8
97.06545	1.6
97.10169	100.0
98.10487	2.0
99.08094	1.5
101.06007	0.4
105.07026	3.2
107.08598	10.7
109.06525	1.1
109.10154	8.3
110.10469	0.5
111.08112	1.7
111.11741	1.3
113.05990	0.4
113.09698	0.5
119.08575	3.1
121.10136	7.0
122.10406	0.4
123.08084	0.7
123.11707	10.0
123.12559	0.7
125.09631	19.2
126.10020	0.4
127.11189	0.4
131.08537	0.4
133.10147	2.6
135.11685	4.6
137.05975	0.5
137.09613	0.9
137.13249	6.0
137.14224	0.6
139.11172	3.8
141.09122	0.4
143.10672	39.8
144.11031	1.4
145.10123	0.6
147.11690	1.4
149.13254	6.3
151.11200	0.8
151.14856	0.8
153.12744	1.0
157.10225	0.7
157.12245	2.5
159.11679	0.9
161.13251	1.9
163.14824	4.4
165.09132	0.5
165.12787	0.9
167.14366	0.7
171.10150	4.3
173.13211	0.5
175.14822	1.0
177.16406	0.8
179.14345	2.1
181.12073	0.4
189.11227	7.7
189.12862	0.5
189.16420	1.2
203.17993	0.7
209.09500	0.5
209.15410	0.6
217.15839	0.5
221.18900	0.4
223.16956	0.8
231.21109	0.7
235.16972	1.6
249.09190	0.6
249.18526	0.9
259.24179	0.9
265.08664	0.5
269.22714	0.8
277.08484	0.4
277.25305	1.0
280.10815	0.5
287.23700	1.5
293.08011	0.4
295.13342	0.7
305.24750	12.2
306.25177	0.7
308.10315	0.6
309.11154	0.5
323.09280	0.6
323.12723	4.6
323.16022	0.6
323.19986	0.4
323.25806	10.8
324.13239	0.9
324.26117	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	39.7
57.06831	5.5
57.07078	64.9
67.05496	31.8
69.07065	61.0
69.78918	20.1
71.04976	5.3
71.08624	35.3
75.51910	4.0
79.05489	12.3
79.06194	4.2
81.07057	72.4
83.08618	38.4
85.10172	19.7
87.04826	4.0
91.05479	8.5
93.07042	30.3
94.96444	4.3
95.08606	100.0
97.10168	30.9
99.11710	6.4
105.07030	17.1
107.08595	27.7
109.10161	74.6
111.11714	17.2
119.08582	16.7
121.10142	18.8
123.08024	5.2
123.11700	33.1
125.09655	4.2
125.13223	10.8
133.10149	24.4
135.11681	18.1
137.09634	5.5
137.13257	17.8
141.09125	4.3
147.11684	22.5
149.13254	10.2
151.11140	9.2
161.13263	16.3
163.14818	7.1
165.12801	8.9
165.16399	7.6
167.43346	4.7
171.08092	6.4
175.14832	5.8
179.14348	12.1
180.14659	4.6
189.16389	8.4
193.15811	5.5
193.19513	7.6
195.24033	4.6
203.17918	7.4
225.16280	4.5
259.38403	4.2
263.27316	46.4
265.08856	6.6
287.27271	18.4
293.04184	5.5
305.28333	14.1
323.09128	14.3
323.12619	9.2
323.16193	7.1
323.23621	5.9
323.27237	14.5
324.13235	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	2.4
61.02922	2.3
61.54518	2.1
61.81064	1.5
65.06333	1.8
67.05506	3.8
69.03426	7.3
69.11674	1.7
70.64013	4.0
70.64344	2.1
73.02924	1.7
79.05506	1.9
85.02908	19.5
85.06543	100.0
97.02904	6.4
109.02875	3.0
115.86372	1.9
117.03394	2.4
127.03911	5.6
127.07547	33.1
127.08449	3.1
127.94502	1.6
133.02905	2.0
135.08061	2.6
137.05989	3.0
145.02815	2.3
145.05020	5.8
145.08598	41.4
163.03926	4.9
163.07541	2.6
177.05437	5.1
179.03389	9.3
192.10109	3.7
193.08553	1.8
296.19669	1.7
324.05905	2.4
324.11615	5.1
324.18524	2.5
325.07028	4.1
325.12042	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2168
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.01869	1.0
55.05508	1.6
57.07064	0.5
64.86717	0.5
67.05504	4.1
69.06725	0.8
69.07073	10.0
69.08693	3.0
69.09108	1.8
79.05498	4.3
81.03422	0.8
81.07057	6.0
83.04964	3.4
86.09706	100.0
87.10041	1.9
91.05478	9.5
93.07050	13.0
95.04971	2.6
95.08617	2.3
97.06561	0.8
105.07034	13.9
107.08571	3.2
109.06512	10.6
109.10174	1.5
111.08089	2.7
117.07021	0.6
119.08585	4.9
121.10139	1.4
123.08076	0.8
123.11791	0.6
128.10735	5.2
129.07016	0.7
131.08559	3.2
132.10205	31.3
133.06511	1.4
133.10121	17.5
134.10515	0.6
135.07990	0.6
145.10127	0.5
147.08025	0.7
147.11693	12.0
148.12009	0.8
149.09631	1.3
149.13208	0.7
151.07562	3.0
151.11182	44.1
152.11516	2.2
156.10170	1.1
157.10226	0.6
165.12779	2.0
167.14395	0.6
175.11209	3.7
192.13867	0.5
193.12212	4.3
195.11737	0.6
210.14995	0.7
222.14934	1.3
260.20169	6.6
278.21140	28.2
279.21643	1.5
283.09656	0.7
293.26196	0.6
306.20636	5.7
307.09973	0.7
307.21048	0.7
324.09720	1.0
324.21722	13.0
325.10587	0.9
325.21951	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25555	0.6
61.02921	1.1
69.03429	2.0
69.25432	3.1
85.02913	5.5
91.03971	0.6
95.04953	0.7
97.02895	1.6
99.04459	0.6
101.39252	0.5
102.96873	0.7
118.06572	1.0
118.74139	0.7
119.04965	0.9
123.05541	0.9
127.03930	1.6
133.07602	0.8
145.05023	1.9
145.07623	19.0
145.08766	1.1
147.04443	3.0
162.02838	1.0
162.05489	2.1
163.03804	1.1
163.05919	2.7
163.08687	11.2
164.07150	1.3
180.07784	0.7
185.04245	1.8
191.93216	0.5
208.60396	0.6
259.00076	0.9
277.01367	0.6
283.00049	2.0
283.03043	0.6
283.06714	0.8
289.11688	0.9
301.01202	2.3
307.06055	0.8
307.12671	1.1
310.05383	1.5
325.08969	100.0
325.13873	14.1
326.09149	4.8
326.12366	0.8
329.11487	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0917
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03940	0.6
55.01870	0.3
57.03437	0.4
57.46517	0.1
61.02937	0.1
63.02390	0.5
65.03928	0.1
69.03428	7.8
70.44810	0.1
70.45126	0.2
71.01340	0.1
71.04994	0.5
73.02921	0.3
79.05498	1.4
81.03415	7.5
81.07072	0.2
85.02903	2.3
85.03418	0.1
89.03912	7.1
90.04245	0.3
91.05448	0.2
92.21893	0.1
93.07066	0.2
95.04918	0.2
97.02901	1.2
99.04449	0.9
103.05494	0.1
105.07014	0.2
107.04945	2.1
109.02877	3.0
114.99675	0.1
115.05421	0.1
115.49126	0.1
117.03377	10.4
118.03701	0.2
127.03914	3.6
135.04413	18.6
136.04750	0.5
136.13628	0.1
137.05991	0.3
145.02844	13.4
146.03180	0.5
163.03899	100.0
164.04237	3.0
173.05981	0.2
181.04945	1.5
186.05486	0.2
189.05536	0.1
201.05347	0.1
201.09058	0.2
212.82033	0.1
307.08115	6.5
308.08533	0.3
323.27664	0.1
325.08823	0.6
325.14301	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01872	0.6
57.03434	0.6
61.02904	0.4
63.02384	0.6
69.03432	7.3
69.25014	2.0
71.04980	0.6
73.02916	0.5
77.03944	0.3
79.05486	1.6
81.03419	10.0
81.07052	0.4
85.02911	3.3
89.03915	6.8
91.05484	0.8
95.04939	0.4
97.02908	1.3
97.03437	0.2
98.22680	0.5
99.04454	1.0
105.07057	0.4
107.04971	2.5
107.08557	0.7
109.02882	4.4
117.03378	9.4
118.03751	0.3
121.02856	0.3
127.03912	2.5
131.04945	0.5
135.04414	19.8
135.07997	1.3
137.02341	0.3
137.05963	1.7
144.08054	0.6
145.02844	12.3
145.03899	0.4
145.08437	1.3
146.03181	0.3
151.07545	0.5
158.09685	0.4
159.10051	0.6
163.03900	100.0
164.04213	3.0
169.08363	0.3
181.04979	2.1
187.09442	0.4
201.09047	0.7
205.10255	0.4
265.06866	0.3
289.12653	0.9
293.11572	0.6
295.06042	0.3
307.08142	9.3
307.13437	0.6
308.08517	0.5
325.09360	0.9
325.14096	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.1
51.29760	0.1
53.03936	0.6
55.01883	0.3
55.05512	0.5
57.03429	0.3
57.07074	0.1
61.02930	0.4
63.02394	0.5
65.03952	0.2
67.05511	0.8
69.03431	11.0
69.07076	0.3
70.03769	0.1
71.04995	0.4
71.30586	0.2
73.02931	0.2
77.03932	0.2
79.05057	0.2
79.05495	2.7
81.03421	3.0
81.07063	1.2
82.07372	0.1
83.04986	0.3
85.02907	1.5
89.03916	6.0
90.04242	0.2
91.05486	1.3
93.07047	2.4
95.04963	0.7
95.08607	0.9
97.02892	2.1
97.06535	0.4
97.10172	0.3
98.10513	0.2
99.04443	0.7
103.03951	0.1
103.05495	0.3
105.04514	0.1
105.07043	1.3
107.04963	2.4
107.08593	2.3
108.08926	0.1
109.02892	1.8
109.06522	0.4
109.10165	0.5
111.04450	0.3
111.08104	0.1
115.05453	0.2
117.03381	9.6
117.07036	0.4
118.03698	0.2
119.04954	0.1
119.08566	0.8
120.14939	0.1
121.06487	0.5
121.10138	0.9
122.03686	0.3
123.04425	0.5
123.08059	0.3
123.11724	0.2
127.03918	4.6
128.06212	0.2
129.07036	0.4
129.34467	0.1
130.07767	0.1
131.04910	0.3
131.08574	0.5
133.06506	0.2
133.10146	0.5
135.04420	18.3
135.08044	0.4
135.11690	1.3
136.04716	0.5
137.05995	2.2
137.09624	0.2
138.06253	0.1
139.03912	0.5
141.06996	0.2
142.07771	0.1
143.08530	0.4
145.02852	12.7
145.10089	0.6
146.03197	0.5
147.04431	0.2
147.08070	0.4
147.11673	0.8
149.05981	0.2
149.09567	0.2
149.13268	0.4
151.07521	0.5
155.04790	0.1
155.08545	0.2
157.06380	0.2
157.10126	0.3
158.07301	0.1
159.08086	0.2
159.11711	0.3
161.09668	0.2
161.13351	0.1
162.03021	0.1
163.03905	100.0
163.10954	0.5
164.04240	3.1
165.05481	0.1
165.12741	0.1
171.11710	0.2
173.09669	0.2
175.03917	0.2
175.07571	0.3
175.11238	0.2
177.12779	0.3
178.13100	0.2
180.02530	0.1
181.04933	0.8
183.11690	0.1
183.74571	0.1
185.09729	0.1
186.05412	0.2
187.07570	0.2
187.11148	0.2
193.08574	0.2
193.12189	0.2
195.11714	0.1
201.05435	0.2
201.09096	0.4
201.12704	0.2
205.12204	0.2
215.14291	0.2
217.33960	0.1
219.06476	0.2
233.09563	0.2
240.07773	0.2
243.13693	0.2
247.05957	0.2
249.05460	0.1
261.14850	0.2
263.06918	0.1
268.07275	0.1
270.09082	0.1
271.13263	0.2
283.09521	0.2
289.14291	0.4
293.11618	0.4
307.08081	2.5
307.15414	0.3
308.08377	0.2
310.11877	0.2
325.09747	0.6
325.14420	0.7
325.16827	0.1
325.20010	0.2
340.06897	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01864	2.2
55.05527	0.3
57.03438	5.8
59.04998	0.5
61.02926	7.8
69.03427	18.2
71.01347	0.6
71.05000	2.0
71.30889	0.4
73.02914	3.7
79.05507	0.4
81.03416	6.2
83.01340	0.5
85.02902	100.0
86.03226	1.4
87.04477	2.0
91.03948	4.9
91.05457	1.4
94.04211	0.4
97.02888	19.6
98.03207	0.3
99.04449	3.9
101.02392	0.8
103.03951	0.9
103.05446	1.5
105.07046	0.4
107.04949	0.6
108.05726	0.3
109.02879	7.4
109.06553	0.4
110.03233	0.3
115.03934	0.9
115.05443	0.4
119.04942	0.8
122.03629	1.7
123.04437	0.6
127.03913	19.9
128.04274	0.5
131.04929	2.3
135.04483	0.3
136.05171	0.4
137.05972	14.7
138.06276	0.4
141.07007	0.5
145.04950	26.2
146.05301	0.6
147.04411	2.6
149.05988	0.5
151.07529	4.0
163.06039	5.1
163.07562	5.5
169.06476	0.5
175.07561	0.8
186.06905	0.3
187.07602	0.7
191.08163	1.4
201.09090	1.7
205.06567	0.5
205.10300	0.3
229.57303	0.2
233.09622	1.0
235.07559	0.2
238.37125	0.2
250.06281	0.3
250.09798	0.3
261.09070	0.6
265.08548	0.8
265.12085	0.4
267.93988	0.2
293.08185	0.4
293.11722	0.8
295.09845	0.3
307.09631	0.4
307.12808	0.5
325.07117	0.5
325.10715	2.1
325.14359	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78228	0.2
53.03946	2.0
55.01871	2.3
57.03434	6.1
59.05001	0.4
59.07380	0.2
61.02610	0.3
61.02928	10.8
69.03430	17.4
71.01365	0.4
71.04992	2.1
71.29485	0.3
73.02917	3.5
81.03423	6.8
83.01342	0.5
83.05001	0.3
85.02906	100.0
86.03234	1.5
87.04471	2.3
90.49865	0.3
91.03957	6.0
91.05502	0.3
97.02893	19.3
98.03255	0.2
99.04449	3.0
101.02385	0.8
103.03952	0.9
109.02879	8.4
115.03940	1.2
123.04426	0.5
127.03918	21.2
128.04271	0.4
131.60945	0.3
133.06482	0.7
135.08044	0.3
137.05983	2.0
145.04959	28.3
146.05264	0.6
147.04430	1.2
147.08118	0.3
148.08777	0.4
151.03899	0.3
151.07498	0.4
159.79718	0.3
163.06035	5.5
163.07550	1.8
192.69131	0.3
201.09111	0.8
205.48274	0.3
325.12683	0.8
325.16812	0.5
326.14191	0.4
347.67087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06540	1.6
55.01868	5.3
57.03426	7.7
61.02927	36.2
69.03432	18.3
70.17609	1.5
71.04990	3.4
71.29195	3.2
73.02924	13.6
81.03408	5.7
84.56720	1.8
85.02906	100.0
91.03952	34.7
94.92992	2.5
97.02883	27.0
99.04445	5.4
101.02400	2.1
102.46885	1.6
109.02856	6.7
110.07145	1.7
112.89586	3.1
115.03948	1.9
127.03046	3.1
127.03918	34.1
134.80588	1.4
138.05487	5.0
143.93797	1.6
145.04968	31.9
152.29860	1.6
163.06021	12.3
212.85164	2.5
239.79884	2.0
253.00029	1.8
253.05484	5.6
270.84277	1.9
316.72415	1.7
326.06326	3.6
326.11948	3.8
342.99725	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84647	0.3
53.03947	1.6
55.01882	2.2
57.03437	3.1
59.05009	0.3
59.24447	0.3
61.02925	1.1
69.03430	15.4
70.03744	0.3
70.45454	0.3
70.45777	0.4
71.01347	0.8
71.04993	4.6
73.02915	0.8
75.04475	0.3
79.05502	0.3
79.88210	0.2
81.03418	17.6
85.02908	1.3
87.04455	0.3
91.05485	0.9
97.02908	0.6
98.22726	0.3
99.03827	0.4
99.04457	6.6
103.05444	0.4
105.07083	0.4
109.02892	0.3
112.80309	0.3
116.04990	0.9
117.05491	1.5
118.06545	5.7
121.23597	0.3
137.05978	3.6
141.06976	0.3
145.05017	0.7
145.06508	0.5
145.07617	8.0
145.08754	0.4
147.04448	0.3
147.09164	8.8
151.07530	0.7
159.09166	0.4
162.07880	1.0
163.07500	0.6
163.08688	1.3
163.11263	0.3
173.07114	13.0
174.07437	0.5
175.07286	0.4
175.08673	5.3
176.09045	0.4
185.07243	0.4
187.08569	0.4
190.07460	0.5
191.08151	100.0
192.08495	4.1
199.08559	0.3
203.08241	0.6
205.09781	0.8
215.11827	0.3
231.11127	0.4
233.09219	1.7
243.11096	0.3
271.10886	0.5
289.11832	1.3
293.11578	0.3
307.12869	30.0
308.13278	2.2
310.12256	0.2
325.13928	20.8
326.14230	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67313	0.4
61.02913	0.5
69.03410	0.8
70.46283	1.0
85.02894	1.3
91.05473	0.6
97.02881	0.8
118.06526	4.1
119.01878	0.6
127.03961	0.6
133.07617	3.4
145.07599	86.4
146.06010	0.8
146.07973	2.1
147.09192	0.6
158.99881	0.8
163.08659	55.6
164.07024	0.7
164.09026	1.9
172.06432	0.5
177.00945	5.1
178.01044	1.0
180.96822	1.1
192.98956	1.2
198.97934	1.9
201.00996	0.8
216.98927	9.1
217.99043	1.7
219.01987	6.0
220.02115	1.7
221.01888	0.7
222.97894	0.7
234.99983	12.4
236.00145	2.0
240.98944	11.0
241.99034	2.3
249.98737	0.6
253.01097	2.2
258.99988	33.7
259.99948	5.0
261.00626	0.7
261.03076	4.0
262.03339	0.5
262.62875	0.5
264.98639	2.8
265.99020	0.5
273.98639	2.8
277.01041	17.5
278.01083	2.8
282.99969	74.5
284.00116	15.6
291.99609	1.7
301.01031	100.0
302.01123	20.4
304.97284	0.5
319.02106	4.5
320.02216	1.6
324.02609	1.6
325.00967	5.4
325.13925	55.6
326.01328	1.4
326.14438	3.4
343.02094	23.3
344.02170	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1433
Annotation	Bidwillol B
Peak:m/z	Relative Intensity
55.01858	0.5
55.05516	1.5
57.07058	0.3
67.05513	0.2
67.38363	0.4
68.99785	0.3
69.03413	0.3
69.07048	0.7
69.35528	0.2
71.04961	0.2
71.32615	0.2
75.21487	0.2
79.05485	0.3
81.07025	0.4
83.08605	0.5
85.00867	0.2
91.05473	0.3
92.63592	0.2
93.07036	0.2
95.08601	0.2
105.07028	0.5
107.04932	0.2
109.06468	0.2
115.05441	0.4
119.08524	0.3
121.06457	0.3
128.06215	0.7
129.07002	0.3
131.04901	0.4
131.98650	0.2
135.04419	0.2
136.28302	0.2
137.05991	0.2
141.07021	0.9
142.07840	0.2
143.08525	0.5
143.90721	0.2
145.06458	0.5
152.06186	1.2
153.06998	1.6
154.07747	0.3
155.04906	0.4
155.08537	0.5
157.06476	0.5
157.10136	0.3
158.07158	0.2
159.08037	0.5
161.06013	0.3
165.06978	2.4
166.07744	0.3
167.08519	0.7
168.05722	0.6
169.06505	0.8
170.07294	1.7
171.08063	1.1
172.08766	0.3
173.09586	0.5
174.10283	0.2
175.07547	0.4
177.06996	0.4
178.07756	0.6
179.08597	1.0
180.05696	1.0
180.09120	0.2
181.06476	2.7
181.10088	0.3
182.07269	2.2
183.04333	0.2
183.08064	1.4
183.11777	0.3
184.05193	9.8
184.08775	0.4
185.05904	0.9
185.09598	0.6
186.06693	0.2
187.07500	0.3
189.06914	0.3
190.07787	0.4
191.08556	0.5
192.09320	0.5
193.06410	0.5
193.10121	0.7
194.07152	0.8
194.10847	0.3
195.08072	3.0
195.11703	0.3
196.05179	0.4
196.08794	0.9
197.05986	5.3
197.09595	1.0
198.06749	4.1
199.03897	0.9
199.07527	1.9
200.08189	0.3
201.05441	0.3
201.09125	0.3
203.08568	0.3
204.09306	0.2
205.06544	0.2
205.10118	0.5
206.07291	0.3
207.08049	1.3
207.11607	0.2
208.05162	0.5
208.08798	0.6
209.05916	0.6
209.09627	1.4
209.13388	0.2
210.06740	1.2
210.10323	0.3
211.03937	0.3
211.07545	3.1
211.11104	1.0
212.04686	9.7
212.07950	1.1
213.05298	1.5
213.09079	3.5
214.06265	1.7
214.09280	0.3
215.06952	0.6
218.07248	0.4
219.08029	0.7
220.08820	0.4
221.06056	0.8
221.09610	1.0
222.06862	1.0
222.10361	1.6
223.04109	0.2
223.07539	2.9
223.11008	1.1
224.04742	0.2
224.08284	1.2
225.05498	1.5
225.09096	1.5
226.06245	3.2
226.09781	0.4
226.13258	0.2
227.07021	81.6
228.07408	4.6
229.08585	0.4
232.08806	0.5
233.09573	1.1
234.10382	0.6
235.07516	2.8
235.11124	0.5
236.04724	0.2
236.08238	1.3
236.11885	0.4
237.05469	0.7
237.09050	1.7
237.12726	1.2
238.06284	0.8
238.09824	0.6
238.13321	0.3
239.07048	1.8
239.10634	3.2
240.07787	2.2
240.11417	0.5
241.04913	0.8
241.08583	8.8
241.12291	0.4
242.05655	1.2
242.09090	0.6
243.06340	0.2
247.07559	0.2
247.11182	0.3
248.08327	0.3
248.11844	0.2
249.09076	2.0
249.11533	0.2
249.12820	0.3
250.06142	0.3
250.07350	0.2
250.09880	2.3
251.07111	1.4
251.10675	1.9
252.07872	1.0
252.11296	0.5
253.04970	0.5
253.08557	2.1
253.12206	0.5
254.05690	0.6
254.09291	0.5
254.12967	1.3
255.06529	2.2
255.10124	2.7
255.13013	0.2
256.07217	1.1
256.10699	0.3
257.08038	1.0
261.09177	0.3
262.09833	0.3
263.07025	0.9
263.10599	0.8
264.07791	0.6
264.11209	1.0
265.08600	1.1
265.12219	3.2
266.05685	0.2
266.09448	0.4
266.12909	1.3
267.06595	0.8
267.10132	3.5
267.13425	0.4
268.07233	0.5
268.10764	0.9
269.08115	4.2
269.11462	0.5
269.15494	0.8
270.08710	0.7
277.08774	0.9
278.09360	1.3
279.10156	1.7
279.13480	0.3
280.07208	0.5
280.10840	0.3
281.08054	1.8
281.11694	1.2
282.08987	0.4
282.12485	2.6
283.09589	1.7
283.12936	0.5
292.10971	0.3
293.08386	0.3
293.11658	2.7
294.12436	1.8
295.06421	0.2
295.09647	3.0
295.13190	1.0
296.10336	0.9
296.14041	0.9
297.11401	0.6
297.14844	7.3
298.15079	0.5
307.13275	0.4
309.11215	0.3
310.11884	2.3
311.09274	0.3
311.12622	1.7
325.14322	100.0
326.11554	0.4
326.14709	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1434
Annotation	Otobain
Peak:m/z	Relative Intensity
52.74487	0.9
53.03942	2.9
55.01869	4.0
55.12248	0.8
55.13973	0.9
65.03938	1.5
67.05482	1.9
70.30940	0.8
71.30547	1.6
77.03914	2.0
79.05490	8.6
81.07063	1.5
89.10305	1.0
91.05479	9.5
92.57353	0.9
93.07018	1.4
94.04190	2.0
95.04987	2.7
96.00939	0.9
103.05465	43.2
104.05797	1.4
105.03406	1.3
105.07028	26.2
106.07400	1.1
107.04963	8.2
109.06522	2.4
115.05450	5.6
117.06998	4.5
119.04949	4.0
119.08625	1.1
120.05776	1.3
121.02847	4.7
121.06513	13.9
122.03652	5.5
123.08072	3.8
128.06256	2.0
129.07034	3.4
130.04167	1.5
131.04927	70.9
132.05286	1.3
133.06491	89.1
134.06856	2.9
135.04414	100.0
135.08044	13.1
136.04755	2.7
137.05974	80.5
138.06306	2.6
141.06987	1.0
143.04938	4.4
145.06477	15.9
146.06961	1.1
147.04460	1.4
147.08076	3.5
149.05992	16.6
151.07535	16.1
157.06508	5.3
159.07979	1.2
160.05200	3.7
161.05983	47.9
162.06633	3.5
163.07545	70.2
164.07925	2.5
165.07030	1.2
169.06488	1.7
171.08113	2.8
173.06035	4.8
174.06735	1.4
175.07544	6.6
177.09096	4.9
179.08626	1.9
181.06493	2.3
185.05951	2.3
186.06721	4.0
187.07550	4.9
188.08250	1.0
189.09138	4.4
190.07771	1.2
193.06580	1.3
195.08018	1.6
201.09160	2.8
202.07784	3.1
203.10664	2.5
207.08078	1.5
207.11768	1.8
209.06044	1.3
210.06789	1.2
217.10124	2.0
219.08255	1.2
220.08888	2.5
221.05962	2.5
222.06746	1.6
223.07581	1.1
225.09099	1.3
233.09583	1.6
235.07455	1.5
235.11137	6.3
236.08224	2.2
239.06996	2.7
245.09641	2.6
247.11151	1.4
248.08427	2.0
251.07092	1.3
252.07872	1.5
253.08627	2.9
255.10164	1.1
261.09140	1.5
263.10724	8.1
265.08731	1.9
265.12250	2.8
267.10251	1.2
269.08044	2.0
278.09445	1.1
281.08078	1.1
282.09167	1.3
283.09628	1.5
284.10358	2.7
293.08423	1.8
293.11700	18.8
294.08774	1.2
294.11908	2.5
295.13272	5.9
297.11316	2.1
307.13306	2.8
325.10696	7.8
325.14349	29.3
325.18176	1.6
326.14761	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1435
Annotation	Otobain
Peak:m/z	Relative Intensity
51.02382	1.2
53.03959	2.2
55.01868	2.4
55.05507	1.5
65.03925	1.7
67.05524	2.1
69.03425	1.4
69.07065	1.5
71.30830	1.9
79.05495	8.8
79.74074	0.8
80.75030	0.8
81.03410	1.4
81.07050	3.9
83.04964	1.3
85.02882	1.2
91.05475	8.8
93.07020	4.3
94.04160	2.0
95.04973	4.1
95.08600	3.2
96.36947	1.0
97.02850	1.4
97.10144	1.6
103.05466	41.5
104.05797	1.1
105.03374	1.4
105.04493	1.1
105.07029	22.3
107.04959	7.1
107.08586	3.1
108.05750	1.2
109.06490	3.1
109.10133	1.6
115.05449	5.6
117.06991	5.3
119.04933	3.5
119.08549	2.2
121.06509	12.1
122.03680	4.8
123.04444	1.1
123.08059	3.4
128.06213	2.5
129.07010	1.8
131.04927	61.3
131.08522	1.3
132.05206	1.5
133.06488	84.0
134.06834	3.0
135.04417	100.0
135.08028	10.2
135.11604	1.3
136.04735	1.7
137.05975	80.2
138.06273	2.5
141.07031	1.3
143.04924	2.5
143.08586	1.5
144.05663	1.1
145.02832	3.0
145.06470	14.4
147.08051	1.5
147.11703	1.3
149.05984	18.7
151.07544	16.7
157.06490	6.5
160.05196	2.7
161.05981	36.4
162.06369	2.0
163.03940	5.3
163.07536	66.6
164.07907	2.6
165.09052	1.6
169.06509	1.0
171.08070	3.1
171.11673	1.0
173.05988	4.7
174.06660	0.9
175.07568	5.4
177.05420	1.4
177.09093	5.3
185.05991	3.0
185.09743	0.9
186.06725	2.8
187.07455	4.9
188.08167	1.1
189.09128	3.1
196.69974	0.9
201.09099	3.0
202.07799	2.1
203.10669	1.8
213.12753	0.9
217.10176	2.1
220.08907	1.8
233.09702	1.6
235.11101	4.7
245.09648	3.8
248.08427	2.2
261.08835	1.2
263.07465	0.8
263.10593	5.6
265.12326	1.1
282.76852	1.0
290.28262	0.9
293.11685	14.2
294.12067	1.0
295.13336	5.3
297.14960	1.3
299.27167	1.0
305.21838	1.0
307.13312	2.7
325.10724	2.1
325.14166	24.1
326.14774	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
55.01871	2.7
57.03437	5.6
61.02934	8.4
65.03941	0.6
66.04736	0.5
69.03432	15.6
71.01344	0.7
71.04997	2.7
73.02923	3.5
78.70092	0.6
79.05502	2.3
81.03419	6.8
81.07061	1.7
85.02908	98.3
86.03252	1.9
87.04463	1.6
91.03946	4.9
91.05479	7.0
94.04194	3.7
95.04979	0.9
97.02899	19.9
99.04461	4.1
100.84214	0.7
103.03945	1.2
103.05450	7.9
105.07029	1.5
107.04953	1.5
107.08552	0.8
108.05724	1.5
109.02877	7.6
109.06516	2.4
115.03916	1.3
115.05490	1.6
118.06486	0.6
119.04964	4.3
119.08566	0.6
122.03645	8.9
123.04419	0.7
123.08038	0.7
127.03921	20.7
131.04932	13.9
132.05496	0.7
133.06477	0.7
135.04411	1.2
136.05244	1.0
137.05980	100.0
138.06322	2.9
141.06976	4.1
143.04918	1.6
145.04961	24.9
146.05322	0.8
147.04405	6.4
149.06018	3.1
151.07542	28.3
152.07860	0.8
158.07289	1.1
160.05229	1.7
162.06688	0.8
163.06047	5.3
163.07553	26.6
163.08916	1.3
164.07887	1.2
169.06494	2.8
172.05217	0.9
175.07552	6.2
186.06779	1.9
187.07542	4.9
189.09261	1.0
190.07741	1.8
191.08208	1.7
194.07281	0.9
201.05434	1.3
201.09111	11.6
202.09441	1.2
205.06471	1.1
205.10068	1.8
215.08501	0.8
218.07190	1.0
219.08090	0.8
222.06624	0.9
233.05992	1.3
233.09532	3.8
235.07542	1.3
237.09065	1.3
247.07446	1.1
250.06471	0.7
261.09033	3.3
265.08820	2.8
265.12140	2.1
266.09561	0.8
278.05838	1.0
278.09048	1.4
279.09937	1.4
282.08853	0.8
283.09766	0.7
293.08304	1.1
293.11630	6.3
294.11908	0.7
295.09549	0.9
297.11139	0.7
307.09659	1.5
310.11893	1.2
325.10629	5.5
325.14270	18.3
326.14554	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.9
53.03944	6.2
55.01860	2.6
55.05513	5.6
57.03425	1.6
66.92791	0.6
67.05501	8.2
69.03432	5.6
69.07069	1.3
72.98350	0.7
79.05482	3.6
80.63016	0.7
81.03419	100.0
81.07050	3.6
82.03763	1.3
83.04979	14.5
85.02913	3.7
91.05481	10.4
93.07049	17.4
95.04974	6.0
95.08614	13.9
97.06559	1.8
99.04492	0.7
103.05498	1.0
105.07033	7.9
107.04978	2.6
107.08620	2.9
109.06509	3.6
109.10130	0.9
111.04451	10.1
111.08087	11.5
114.04754	1.0
115.05480	1.5
117.07061	2.4
119.08578	12.8
121.06508	6.4
121.10195	1.0
123.08076	1.7
125.06089	1.0
128.06297	2.5
129.07018	4.3
130.07872	1.2
131.04936	0.9
131.08574	10.7
133.06502	1.5
133.10143	9.0
135.08038	3.7
136.08466	1.0
137.06033	2.6
139.07530	5.9
141.07034	4.1
142.07764	8.8
143.08568	13.3
144.09395	1.3
145.06526	3.7
145.10121	10.9
147.08109	1.6
147.11694	6.4
153.07063	2.1
154.07785	1.2
155.08543	8.1
156.09360	7.7
157.06544	1.4
157.10124	19.9
157.17076	0.7
158.10895	1.8
159.08055	5.4
159.11729	4.8
161.09715	2.4
165.06964	4.1
166.07886	1.8
167.08572	3.8
168.09448	2.8
169.06630	2.7
169.10144	9.6
170.07404	1.1
170.10886	5.4
171.08043	3.8
171.11703	11.8
172.08862	1.0
173.09659	4.2
173.13457	1.3
175.11295	1.7
179.08675	2.9
180.09227	1.5
181.10115	6.4
182.10982	2.8
183.08153	5.4
183.11681	12.8
184.08801	1.5
184.12566	2.5
185.09625	13.2
185.13228	7.5
186.10403	1.4
187.11159	6.9
188.11943	0.9
191.08762	0.8
192.09521	1.0
193.10088	5.8
194.11044	3.3
195.08141	2.3
195.11740	6.5
196.08965	3.3
196.12457	3.5
197.09602	6.0
197.13249	7.4
198.10530	2.5
198.14111	1.8
199.11188	14.5
199.14908	1.8
201.12929	1.5
205.10349	1.2
206.11064	1.9
207.11703	6.4
208.12624	2.7
209.09715	4.0
209.13190	7.1
210.10568	2.4
210.41513	0.8
211.08031	0.8
211.11183	17.9
211.14746	7.9
212.11972	2.3
213.12743	14.1
213.16426	0.8
215.14474	2.6
218.10985	1.3
219.11829	1.4
220.12660	1.4
221.09846	1.0
221.13248	5.6
222.10609	1.0
222.14063	1.3
223.11191	4.2
223.15010	3.0
224.11974	3.6
225.05693	1.0
225.12720	9.6
226.13501	12.6
227.14264	8.1
229.12462	2.6
229.15944	1.0
231.11903	1.3
232.12608	1.5
235.11407	1.1
235.15050	2.4
236.12073	1.5
237.12791	3.6
237.16505	1.7
239.14291	13.8
243.14000	1.2
246.14221	1.2
247.11383	1.0
247.15068	1.5
249.13008	2.2
250.13780	1.6
251.14304	4.2
251.18256	2.1
257.15359	10.4
261.14069	0.8
261.16705	3.0
263.14264	4.6
265.15875	4.7
265.72433	0.8
267.11920	2.5
268.12631	1.1
269.15540	1.0
271.15036	0.9
274.13672	1.2
279.14563	1.6
279.17743	5.7
281.04843	1.8
281.13431	1.6
282.14221	2.1
283.11349	1.1
289.16278	3.4
292.14993	0.9
293.08142	1.2
294.08966	2.0
295.06192	1.0
295.11441	3.2
295.14948	1.8
296.07031	2.0
297.11386	1.3
297.18982	1.5
307.16968	13.8
308.17383	1.4
309.12955	1.3
310.13779	3.5
310.17072	1.0
311.05832	2.2
325.07352	2.1
325.11044	7.6
325.18423	33.8
325.21780	4.7
326.08200	2.2
326.12613	1.0
326.18954	1.7
328.05188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.2
55.01867	4.7
55.05514	11.2
57.03421	2.2
65.03946	1.1
67.05503	13.9
69.03433	5.2
69.07054	5.6
71.04997	2.0
79.05492	14.5
81.03416	19.2
81.07059	18.9
83.04483	2.1
83.04978	37.4
83.08621	1.5
86.09709	5.2
87.10053	1.2
91.05482	16.7
93.07045	25.0
95.04978	14.0
95.08613	16.4
97.02894	2.0
97.06532	2.9
99.74007	1.1
101.95113	1.1
104.25280	1.4
105.07024	21.1
107.04964	2.6
107.08592	13.2
109.06516	19.7
109.10159	3.6
111.04441	15.7
111.08086	10.9
113.06015	5.6
115.05431	2.3
117.07030	7.7
119.08583	19.7
121.06527	9.0
121.10166	3.9
123.08051	3.6
123.11760	1.2
128.06212	7.3
129.07014	6.3
130.07745	2.5
131.04958	2.2
131.08559	12.3
132.28162	1.1
133.06490	3.1
133.10117	12.4
134.10526	1.1
135.08051	25.1
137.05972	2.5
139.07553	8.4
141.07018	7.2
142.07785	14.1
143.08560	16.8
144.09337	3.3
145.06468	14.0
145.10152	9.0
146.07227	1.2
147.08046	4.8
147.11676	4.2
149.09596	2.7
151.11188	2.5
152.06189	1.6
152.11473	1.8
153.06990	4.8
154.07780	2.3
155.08557	14.3
156.09370	9.0
157.06480	2.4
157.10110	23.4
158.07274	1.6
159.08047	38.2
159.11713	6.1
160.08492	1.5
161.09627	10.1
165.07013	7.0
166.07742	2.3
167.08597	7.7
168.05901	1.2
168.09367	5.0
169.06467	9.6
169.10135	13.9
170.07262	6.0
170.10890	3.8
171.08069	16.3
171.11708	12.4
172.08797	2.9
173.05901	1.9
173.09605	7.3
173.13237	2.2
175.11177	2.4
178.07756	1.8
179.08577	4.1
180.09308	2.7
181.06537	3.0
181.10120	7.1
182.07259	9.0
182.10912	4.0
183.08052	18.4
183.11678	14.8
184.08844	9.9
184.12292	1.3
185.07948	2.8
185.09612	48.0
185.13185	5.5
186.10260	5.3
187.11182	15.6
190.07719	1.6
191.08473	1.5
192.09337	3.5
193.10185	7.5
194.10883	3.9
195.08083	4.5
195.11690	8.7
196.08772	8.8
196.12408	1.6
197.09618	19.1
197.13261	10.4
198.10332	6.1
198.14052	2.8
199.07530	1.6
199.11179	16.2
199.14818	2.6
200.11877	6.4
203.10748	1.9
205.10251	2.8
206.10718	1.3
207.11728	7.4
208.12465	3.5
209.09685	5.7
209.13235	8.2
210.10403	5.1
211.11185	49.8
212.11829	5.2
213.09293	1.7
213.12743	19.9
215.10645	1.6
215.14304	5.6
217.10245	2.1
217.12154	6.5
219.11623	3.3
221.09511	1.3
221.13264	4.1
222.10391	3.8
223.11331	6.8
223.14897	4.4
224.08466	1.5
224.11877	1.7
225.12730	32.6
226.13509	54.9
226.15781	2.6
227.10648	1.4
227.14262	26.8
228.14832	2.1
231.11559	2.6
233.13112	2.1
235.07674	1.4
235.11194	2.9
235.14839	2.2
236.04716	1.4
236.11948	2.4
237.12657	6.2
237.16228	2.4
239.14310	2.9
243.13895	2.8
247.11165	1.5
249.12791	4.2
250.13576	1.6
251.10904	1.2
251.14258	6.5
251.18050	2.6
252.14903	2.1
253.16092	2.0
259.11145	2.2
261.16492	1.7
264.04144	2.9
264.15112	1.8
265.12292	2.4
265.15814	2.9
266.05841	2.1
269.11749	1.4
274.13507	2.1
278.13150	1.4
279.17465	17.3
279.20993	2.6
280.11996	1.3
280.17899	2.0
281.15808	1.3
283.13333	2.2
289.15799	4.1
292.03653	1.4
294.08539	1.3
296.07007	1.4
307.06070	8.3
307.16968	16.6
307.20294	1.7
310.04565	1.8
310.08170	1.2
310.16711	1.4
325.07556	6.4
325.10583	2.7
325.18002	100.0
325.21475	6.2
326.18277	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.5
55.01869	23.2
55.05512	27.3
57.03436	28.1
57.07061	10.1
58.73550	3.5
59.04993	11.5
61.02918	10.4
65.03938	6.6
67.05171	6.0
67.05505	59.7
69.03430	49.0
69.07070	34.3
69.10869	13.4
69.11286	19.7
71.01359	5.2
71.05016	17.3
73.02911	14.9
75.80602	3.6
78.50019	3.3
79.05487	44.6
79.52573	3.5
81.03423	20.5
81.07059	67.2
83.04977	55.1
83.08623	8.6
85.02898	30.6
85.06534	7.0
87.81116	3.2
91.05476	44.6
93.07041	62.0
95.04971	100.0
95.08603	59.2
97.02875	19.0
97.06535	16.3
97.10138	4.0
99.04478	17.1
103.03939	4.4
103.05484	6.6
105.07030	47.6
107.04915	7.0
107.08595	79.9
109.06519	57.0
109.09443	6.3
109.10154	78.7
111.04424	8.9
111.08052	6.7
113.05972	5.0
115.03927	10.3
115.05408	6.5
117.07059	17.8
119.04962	4.0
119.08569	48.2
120.63003	3.8
121.06472	13.6
121.10144	44.3
123.08072	18.6
123.11702	14.6
125.05993	19.5
125.09612	5.7
127.03934	6.1
129.06985	5.3
131.08551	22.7
133.04959	4.5
133.06519	10.7
133.10132	47.1
135.04449	10.3
135.08055	60.8
135.11694	31.8
137.05966	55.9
137.09607	62.5
139.07529	5.9
139.11194	4.9
143.08511	8.8
145.06490	3.7
145.10110	25.9
147.08034	8.3
147.11693	14.6
149.05927	7.1
149.09613	26.7
149.13301	6.9
151.07547	12.7
151.11163	11.8
153.09096	8.6
153.12698	8.8
155.07056	12.0
155.49377	3.9
157.10114	7.3
159.08098	7.8
159.11682	16.1
161.09601	14.0
161.13205	9.7
163.03925	31.7
163.07585	26.9
163.11205	9.7
163.14799	5.8
165.09163	6.3
165.12750	7.4
169.10066	4.5
171.11652	7.3
173.08214	4.6
173.09586	8.7
173.13251	10.2
175.07620	3.6
175.11183	8.6
175.14754	16.8
177.09128	8.5
179.10651	25.0
181.08546	3.6
186.03073	5.7
187.11147	5.3
187.14949	5.3
189.09085	5.2
189.12816	4.4
189.16304	5.6
191.08095	5.3
191.10690	11.1
191.14279	13.0
193.15804	18.3
194.07335	3.6
201.09053	6.5
203.10583	3.5
205.06572	7.8
205.12323	4.5
205.15878	11.0
207.10107	6.7
209.15266	8.3
217.15862	6.3
221.11708	4.6
229.15898	11.5
233.11716	5.2
235.16948	7.0
247.16991	17.7
251.12819	8.7
263.86417	4.3
265.08505	6.6
269.13770	14.9
271.16763	4.0
277.17950	13.3
289.17975	15.3
293.08099	6.5
294.08359	3.9
307.09525	10.2
307.19040	14.5
325.06937	3.7
325.10672	9.9
325.20026	64.8
326.20682	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	8.7
55.01868	21.9
55.05510	23.4
57.03435	30.1
57.07051	12.2
59.04999	9.3
59.64062	3.7
61.02925	8.4
65.03946	5.8
67.05503	54.8
69.03428	56.0
69.07066	33.8
69.10439	20.4
69.10847	10.2
71.01348	9.3
71.05004	18.3
73.02911	17.1
79.05497	56.3
81.03405	24.7
81.07052	67.9
83.04976	48.1
83.08595	8.7
84.66756	3.7
85.02906	32.4
85.06545	6.0
87.04490	4.2
89.03875	4.5
91.05479	42.9
93.07038	54.8
95.04964	100.0
95.08602	52.1
97.02865	19.9
97.06544	19.3
98.16186	4.6
98.22601	9.0
99.04463	20.3
103.03967	6.2
105.07023	50.4
107.04948	10.7
107.07865	5.8
107.08592	95.0
109.06515	57.0
109.10152	60.8
110.10471	4.5
111.04424	7.2
111.08131	8.8
113.06021	5.8
115.03927	10.3
115.05454	6.9
117.07014	17.3
119.08585	37.7
121.06486	14.3
121.10139	40.9
123.04404	5.6
123.08042	16.1
123.11724	19.3
125.05981	15.6
125.09622	8.6
127.03932	9.2
128.06232	7.5
129.06981	6.6
131.04976	5.1
131.08586	24.0
131.25172	3.5
133.05017	5.5
133.06487	8.0
133.10117	33.1
135.04398	4.7
135.07083	7.0
135.08054	98.1
135.11673	30.4
137.05966	52.5
137.09618	56.0
137.13280	7.6
139.07527	4.6
141.06970	4.9
142.07771	4.6
143.08621	8.1
145.06419	6.6
145.10088	23.9
146.09743	4.5
147.08012	9.8
147.11662	15.3
149.05954	5.7
149.09599	27.5
151.07556	21.3
151.11172	12.8
153.09122	5.2
155.07016	13.2
157.10188	7.7
159.11664	9.5
161.09586	12.1
161.13225	11.0
163.03917	24.3
163.07535	48.0
163.11188	7.6
163.14801	5.3
165.12773	9.3
169.08777	4.1
173.09547	5.2
173.13210	14.3
175.07542	4.9
175.14821	22.8
177.09073	10.7
179.10713	18.6
181.08585	8.0
185.08139	4.0
187.14806	8.7
189.09090	7.1
191.08250	20.7
191.10704	7.0
191.14339	6.9
193.15883	19.0
201.05475	6.4
201.09138	5.3
203.14313	5.3
205.06615	4.5
205.12286	5.1
205.15900	9.5
207.10165	6.4
209.15396	9.8
215.10808	4.8
217.15909	5.3
221.11671	4.3
229.15883	6.8
233.11731	5.9
235.16866	4.5
247.16927	12.4
250.06184	6.0
251.12692	7.2
264.08020	4.5
269.13766	8.4
271.17056	8.0
277.18030	11.4
289.17978	17.5
293.11520	5.3
297.11020	4.6
307.09531	7.8
307.12857	7.3
307.19061	14.5
325.13916	6.3
325.20084	64.8
326.20428	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2159
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
53.03934	0.5
55.01855	0.7
55.05510	5.4
57.03427	0.3
57.07071	1.0
65.03932	0.3
67.05175	0.3
67.05505	3.7
69.03373	0.2
69.07067	7.9
69.37610	0.9
69.38020	0.3
71.04964	0.7
71.08622	0.3
73.06536	0.2
79.05070	0.2
79.05494	4.1
81.06583	0.3
81.07056	5.8
83.04980	0.5
83.08618	4.5
85.02883	0.6
85.06566	1.0
91.05478	4.9
93.06465	0.3
93.07040	5.8
95.04948	0.4
95.08603	6.7
96.08921	0.4
97.06499	0.8
97.10149	0.7
98.22659	0.2
99.04422	0.5
99.08098	0.2
101.06007	0.4
103.05470	0.4
105.07027	12.4
106.07351	0.5
107.08588	7.2
108.08900	0.4
109.06520	0.6
109.10142	2.2
111.08087	1.2
115.05428	1.1
117.07014	3.6
119.06052	0.2
119.08577	9.5
121.06510	1.0
121.10135	5.6
123.08054	0.7
123.11691	0.6
127.07561	0.4
128.06209	2.5
129.07013	4.7
129.09068	0.6
130.07825	0.9
131.08559	7.9
133.06535	0.2
133.10130	4.2
135.08063	0.5
135.11711	1.6
137.09590	0.3
139.07539	0.4
141.06979	3.7
141.09114	0.3
142.07780	4.9
143.08557	11.5
144.09247	0.8
145.06494	0.7
145.10120	8.8
146.10475	0.3
147.08031	0.5
147.11674	2.0
149.09602	0.9
149.13332	0.2
152.06171	0.4
153.06969	1.8
153.09053	0.3
154.07776	2.1
155.08545	10.6
156.09337	2.6
157.10120	18.8
158.10497	0.7
159.08086	1.0
159.11679	6.9
161.09601	0.5
161.13216	0.8
163.07608	0.2
163.11162	0.8
165.06973	2.8
165.09123	0.5
166.07794	1.8
167.08556	6.0
167.10710	0.5
168.09337	3.6
169.10120	16.9
170.10666	1.0
171.08047	0.2
171.11684	6.8
172.12117	0.4
173.09607	0.5
173.13264	1.8
175.11147	0.4
177.09096	0.6
177.12675	0.3
178.07770	0.8
178.98322	0.2
179.08549	5.0
179.10562	0.4
180.09332	2.9
181.10117	13.1
181.12163	1.1
182.10887	3.9
183.08217	0.5
183.11684	14.2
184.12137	0.9
185.09599	0.5
185.13251	2.6
186.13678	0.2
187.11285	0.3
187.14818	0.4
187.29245	0.2
189.09001	0.2
189.12735	0.2
191.08549	0.6
191.10654	0.3
192.09343	0.9
193.10121	4.2
193.12025	0.4
194.10884	4.8
195.11687	18.6
195.13539	0.7
196.12402	3.3
197.09650	1.0
197.13249	13.0
198.13747	1.0
199.11218	0.6
199.14813	0.9
201.09111	0.2
201.12743	1.0
203.08597	0.3
205.10110	1.7
205.12138	0.5
206.10825	0.7
207.11682	8.1
208.08685	0.2
208.12465	3.1
209.09726	1.2
209.13242	27.5
210.13782	2.2
211.11269	1.1
211.14799	4.3
212.15373	0.4
213.09109	0.6
213.12709	0.2
213.16295	0.2
215.10620	0.7
215.14238	0.3
217.10190	0.4
217.12241	0.7
218.10847	0.5
219.11679	1.5
219.13757	0.5
220.12268	0.5
221.13246	3.8
222.10622	0.3
222.13980	2.2
223.11404	3.4
223.14793	17.0
224.11456	0.2
224.15375	1.8
225.12796	0.6
225.16351	2.1
226.17133	0.3
227.10753	1.7
227.14256	0.3
229.12125	0.3
231.11707	0.4
231.13791	0.6
232.12405	1.0
233.13246	2.3
234.13872	0.4
235.07837	0.2
235.11163	0.5
235.14803	1.0
236.11969	0.3
236.15462	0.5
237.12846	1.5
237.16356	6.6
238.16965	1.0
239.10686	0.4
239.14339	0.6
239.17885	0.4
241.12204	2.6
242.12689	0.2
243.13887	1.1
245.15416	0.3
246.14020	0.2
247.14795	3.2
248.15312	0.3
249.12729	1.0
249.16382	0.4
250.13484	0.2
250.17114	0.6
251.06944	0.3
251.14299	3.7
251.17900	1.1
252.14784	0.4
252.18637	1.3
253.12206	0.6
253.19437	0.2
254.13005	0.5
255.13788	3.2
256.14267	0.3
257.15329	0.9
261.16428	0.5
263.14282	0.4
263.17941	1.6
264.18500	0.3
265.08606	0.9
265.15881	9.2
265.19476	7.5
265.22333	0.4
266.16208	0.7
266.19955	0.7
267.13760	2.1
268.14569	0.4
269.15356	8.2
270.15860	0.6
279.17487	0.7
279.21027	0.9
281.15396	0.5
282.16153	4.6
283.16895	6.0
284.17294	0.2
289.19498	2.4
295.09851	0.2
295.17032	0.3
296.17807	0.2
297.18466	1.5
307.20547	4.4
308.20892	0.4
310.19153	0.8
325.21591	100.0
326.11221	0.2
326.21957	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2161
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
53.03919	0.3
55.01866	0.8
55.05511	3.2
57.07073	0.5
65.03954	0.3
67.05504	2.1
69.07069	6.7
69.49808	0.6
69.50215	1.9
71.05001	0.3
73.06552	0.4
79.05493	2.5
81.03419	0.5
81.07058	4.2
83.04980	1.2
83.08622	2.7
84.83433	0.4
85.02918	0.6
85.06522	0.4
91.05479	2.3
93.07040	2.8
95.08604	3.4
97.06525	1.6
105.07032	4.1
107.08594	2.4
109.06515	0.6
109.10177	1.7
111.04431	0.7
111.08116	0.4
115.05480	0.5
115.07554	0.8
117.07008	1.2
119.08584	3.6
121.06512	0.3
121.10148	3.0
123.08055	0.4
126.31110	0.3
128.06285	0.5
129.07018	2.7
130.07787	0.8
131.08585	1.7
133.10130	2.4
135.11688	0.5
141.06958	2.1
142.07773	4.8
143.08556	3.8
145.10120	3.6
147.11658	0.9
153.06998	1.5
154.07800	0.6
155.08536	5.2
156.09363	1.7
157.10123	17.7
158.10533	1.0
159.11696	4.3
161.13310	0.5
163.11102	0.5
165.07002	1.9
166.07776	1.4
167.08562	5.1
168.09340	4.3
169.10130	7.4
170.10965	0.6
171.11699	4.4
173.09750	0.4
173.13280	0.9
178.07838	0.5
179.08540	3.7
179.10770	0.3
180.09319	2.6
181.06406	0.4
181.10104	10.4
181.11765	0.5
182.10904	5.1
183.08139	0.7
183.11690	18.5
184.12129	1.4
185.09671	0.5
185.13287	3.3
187.11139	0.4
187.14835	0.5
191.08643	0.5
192.09332	0.5
193.10133	3.6
194.10880	4.5
195.11682	22.0
196.12434	3.9
197.09622	0.6
197.13254	14.0
198.13686	0.8
199.11075	0.5
199.14861	0.7
205.10208	0.5
205.12209	0.6
206.10864	0.6
207.07884	0.5
207.11652	5.7
208.12448	3.0
209.09853	0.9
209.13248	22.3
210.13985	3.7
211.11351	0.6
211.14815	7.3
213.09012	0.5
213.16301	0.6
217.10237	0.4
217.12236	0.6
218.10907	0.5
221.09474	0.4
221.13246	3.1
222.10327	0.5
222.14024	0.8
223.11241	1.5
223.14810	23.6
224.15306	2.0
225.16400	3.1
226.17067	1.3
227.10669	1.2
229.12511	0.4
232.12520	0.6
233.13260	1.2
235.07512	0.7
235.14856	1.1
237.05360	0.6
237.12877	1.8
237.16368	7.6
238.17122	2.2
239.10652	0.4
239.17906	0.7
240.18867	0.7
241.12292	1.3
243.13797	0.6
247.14772	2.1
249.09283	0.5
249.12703	0.5
249.16281	0.3
250.13483	0.3
251.07161	0.4
251.14311	2.8
251.17941	1.6
252.18657	2.3
253.04929	0.3
253.12350	0.8
253.19562	1.0
254.12990	0.6
255.13866	3.1
257.15335	0.6
263.18045	0.9
264.04184	1.3
265.04828	0.3
265.08594	0.3
265.15912	4.6
265.19507	4.8
266.05688	0.6
266.19821	0.4
267.06573	0.5
267.10275	0.7
267.13806	2.4
267.20984	0.4
268.14600	0.6
269.15363	8.6
270.15686	0.7
278.09000	0.4
279.06549	0.7
279.09964	0.7
279.21164	0.7
280.03745	0.4
280.06979	0.5
281.15350	0.5
282.16129	4.7
283.16925	5.3
284.17404	0.5
289.19400	1.1
292.03714	0.6
293.08038	0.6
293.11511	0.7
294.08813	1.9
294.12070	0.6
295.06198	0.6
295.09598	1.3
295.16849	0.4
297.18356	0.4
307.17017	0.7
307.20578	2.8
310.08218	0.9
310.11713	0.8
310.19421	0.5
311.05685	0.4
311.19974	0.9
325.07037	2.8
325.10712	3.9
325.14438	3.0
325.21600	100.0
326.07532	0.7
326.11118	0.6
326.21976	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2161
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
53.03944	1.8
55.01865	0.8
55.05513	9.2
57.03427	1.2
65.03925	1.0
67.05180	0.9
67.05504	13.2
69.03461	0.7
69.07069	4.0
69.58749	2.5
71.04980	1.0
78.22367	0.7
79.05074	1.0
79.05497	13.5
81.07059	11.0
83.04981	11.5
83.08592	1.3
85.06565	0.8
91.05482	22.8
93.06466	1.3
93.07043	22.8
95.04962	4.1
95.08605	27.6
97.02913	0.9
97.06522	1.4
99.04462	1.2
103.05476	1.7
105.04494	1.1
105.07027	37.8
106.07350	1.6
107.08595	18.1
109.06505	3.0
109.10141	5.1
111.04427	6.4
111.08072	6.0
113.06014	1.9
115.05441	2.9
116.06227	1.7
117.07016	8.3
119.08575	30.3
121.06512	2.1
121.10158	8.6
123.08048	5.3
125.09643	0.7
125.54395	0.8
128.06219	9.1
129.07008	17.2
130.07759	2.2
131.08574	23.9
133.10127	13.0
135.08057	2.0
135.11714	3.3
137.05995	1.6
137.09689	0.8
139.07549	4.5
141.06938	5.5
141.09103	3.9
142.06715	1.1
142.07780	14.6
143.08559	50.0
144.09369	4.9
145.06503	3.4
145.10115	23.8
146.10854	1.2
147.08095	1.8
147.11684	16.2
149.09605	1.4
149.13338	0.8
153.06975	2.0
154.07761	1.4
155.08549	10.2
156.09358	8.8
157.10126	42.4
158.10628	2.7
159.08078	1.6
159.11685	22.5
160.11998	0.8
161.08444	0.6
161.09578	3.8
161.13208	2.1
163.11116	1.5
165.06998	2.1
165.09117	0.8
167.08591	3.7
168.09280	3.5
169.10124	14.7
170.10892	7.4
171.08066	0.7
171.11691	17.4
171.13092	1.3
172.08809	0.9
172.12199	1.2
173.09607	1.9
173.13271	4.3
175.11180	1.8
177.09138	1.2
179.08585	2.1
179.10658	1.9
180.09311	1.5
181.06438	1.2
181.10107	4.6
182.10860	2.6
183.08022	1.3
183.11696	15.9
184.12440	5.0
185.09882	3.3
185.13257	100.0
186.10371	1.3
186.13617	6.0
187.11240	4.4
187.14807	12.0
188.15500	0.8
189.12788	0.9
191.10564	0.7
192.09277	0.8
193.10133	2.1
194.10872	3.6
195.11723	6.7
196.08852	1.0
196.12422	2.5
197.13258	12.6
198.14005	4.0
199.11153	2.0
199.14827	7.1
201.12747	2.4
203.10735	1.1
205.12383	0.7
207.11664	2.4
208.12346	1.2
209.06017	0.9
209.09946	0.8
209.13248	19.2
210.13795	2.1
211.07600	1.4
211.11266	1.5
211.14804	16.1
212.15445	1.5
213.12740	1.7
213.16383	7.7
215.14354	1.2
215.17908	1.4
217.12234	2.0
219.13840	1.2
221.13283	1.7
222.10394	1.0
222.13940	1.3
223.11198	1.5
223.14810	6.7
225.12755	1.8
225.16368	10.1
226.17160	18.1
227.14319	2.3
227.17909	4.6
229.12173	1.0
229.15884	1.2
231.13808	1.7
233.13284	1.2
233.15411	1.9
235.14903	0.9
237.05524	1.0
237.12726	1.1
237.16385	2.9
239.07106	1.0
239.14394	1.2
243.13866	1.2
245.15434	2.1
249.16277	0.6
251.06952	1.0
251.14319	3.9
251.18018	4.9
252.18570	0.8
255.13722	1.6
265.15939	1.7
265.19516	3.7
266.05728	0.8
267.06503	2.0
267.09982	1.5
269.15384	3.4
279.06598	2.6
279.17734	1.2
279.21140	3.6
280.07281	0.8
283.16919	1.4
289.19641	1.7
293.08154	2.1
294.08850	8.5
295.06259	1.5
295.09616	2.0
297.11130	1.0
297.18643	1.8
297.22174	1.0
307.20541	6.5
310.08215	1.7
310.19025	0.8
325.07040	4.5
325.10751	9.5
325.21600	98.1
326.07654	1.1
326.11169	1.1
326.21918	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.216
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
50.31955	1.4
51.92105	1.4
53.03954	1.3
55.01864	2.5
55.05510	10.3
57.03466	1.2
57.07054	1.6
62.30658	1.1
64.47437	1.2
65.03919	1.8
67.05504	13.2
69.03405	1.5
69.07066	17.1
69.38972	8.2
70.99212	1.5
73.02905	1.6
78.81113	1.1
79.05490	10.2
81.03374	1.3
81.07056	22.7
83.08612	4.3
85.06560	1.5
91.05490	12.3
93.07043	15.5
93.60220	1.2
95.04972	2.5
95.08607	24.9
96.08945	1.5
97.10171	3.6
98.22675	2.3
98.51797	1.4
105.07031	21.6
107.04959	1.7
107.08594	18.1
109.06520	3.0
109.10139	14.7
111.07999	1.3
115.05524	2.3
117.07009	8.7
119.08582	25.9
121.06518	2.2
121.10126	11.7
123.08068	2.5
123.11701	3.4
125.09600	1.5
128.06259	4.4
129.07010	11.2
131.08574	16.7
133.06517	2.7
133.10124	12.5
135.08113	2.1
135.11691	4.2
137.06000	2.9
141.06972	7.5
142.07791	7.0
143.08559	27.7
144.09343	1.5
145.06485	4.1
145.10118	15.0
147.08038	3.5
147.11679	13.8
149.13229	2.7
151.07532	3.7
153.06956	2.1
155.08566	12.4
156.09329	6.7
157.06528	4.2
157.10120	17.4
158.10881	3.2
159.08067	4.6
159.11684	23.6
160.12331	1.5
161.05965	2.9
161.09607	2.7
161.13283	8.6
163.07509	4.1
165.07022	5.7
165.09053	1.4
166.07817	2.5
167.08521	7.7
168.09297	1.8
169.06493	3.8
169.10127	12.3
170.10942	1.6
171.08006	4.3
171.11693	20.9
172.12392	1.6
173.09547	1.6
173.13254	16.2
175.11282	1.9
175.14778	1.8
177.09146	2.7
179.08597	4.5
180.09320	2.8
181.06488	4.9
181.10109	8.8
182.10893	2.4
183.08026	7.8
183.11710	10.9
184.12466	1.6
185.09688	3.4
185.13234	17.0
187.11139	1.7
187.14793	3.5
189.09117	2.8
193.10095	2.8
194.07298	2.1
195.08058	8.1
195.11751	7.2
196.08527	1.4
196.12508	1.6
197.09613	3.5
197.13264	12.2
198.13972	1.8
199.11209	3.4
199.14865	10.0
201.09126	1.7
201.16466	1.8
203.10661	4.7
207.11647	3.4
208.12538	1.8
209.09628	10.6
209.13202	9.9
211.07660	1.4
211.11116	2.3
211.14813	5.7
212.15549	2.2
213.09081	4.5
215.10696	3.1
217.12206	4.6
218.10701	1.5
221.13229	2.5
223.11261	3.1
223.14838	10.9
225.12677	3.3
225.16328	6.1
227.10675	2.5
227.14578	1.5
227.17979	4.8
229.12286	2.7
231.13791	2.4
233.13257	2.2
235.14964	2.1
237.12791	2.7
237.16374	5.7
239.14409	1.9
239.17905	1.5
240.18646	4.0
241.12201	3.1
241.19492	26.7
242.20172	3.0
243.13857	5.2
247.14717	1.9
251.14331	5.8
255.13724	6.2
257.15274	1.7
265.15884	11.6
265.19443	4.9
267.13879	1.7
269.15323	11.3
279.18085	1.8
279.21085	14.0
283.16916	3.6
287.53494	1.3
289.19397	2.4
297.11145	1.6
297.21933	2.5
307.20419	9.2
325.10809	3.0
325.21603	100.0
326.21893	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01035	2.6
52.80625	2.5
54.99759	3.1
55.01852	5.1
55.05506	8.8
67.05490	10.1
69.03450	2.7
69.07070	14.6
70.46468	8.5
79.05500	15.0
81.07066	22.4
83.04959	6.2
83.08605	5.6
85.02905	3.3
91.05483	21.7
92.93545	2.9
93.07053	23.5
95.08611	25.3
97.10153	4.3
98.22708	3.1
103.05448	4.8
105.07041	23.5
107.08592	19.4
109.06532	8.3
109.10174	14.5
111.04488	5.0
111.08089	4.6
115.05458	6.6
117.07030	11.6
119.04945	4.9
119.08580	24.5
119.57304	2.6
121.06582	4.4
121.10137	12.6
123.08063	4.6
123.11674	4.3
123.51412	2.5
128.06239	6.0
129.07048	13.5
130.07759	2.7
131.04955	3.3
131.08585	19.9
133.06476	4.9
133.10109	15.0
134.87720	2.6
134.99773	2.5
135.08070	4.9
137.05959	7.4
137.09619	3.0
139.07509	3.6
141.07039	6.4
141.39783	2.5
142.07742	7.4
143.08545	27.9
144.05673	3.4
145.06459	9.5
145.10118	12.0
147.08005	3.8
147.11679	12.3
153.06996	3.6
155.08553	12.5
156.09373	6.4
157.06508	4.7
157.10123	18.5
159.08057	9.4
159.11714	21.7
161.06026	4.2
161.13309	8.6
163.07542	7.3
165.07030	5.6
165.09140	3.8
167.07155	3.0
167.08543	9.9
168.09253	3.9
169.06500	5.6
169.10118	12.3
171.08060	7.5
171.11676	20.9
172.36130	3.1
173.09697	5.1
173.13278	8.1
174.13931	2.9
175.07562	3.3
179.08612	4.9
181.06523	6.2
181.10168	15.4
181.11591	2.5
182.07303	3.9
183.08084	8.4
183.11716	12.5
185.09566	9.0
185.13222	14.5
187.07547	6.5
187.14934	3.0
191.08473	5.4
194.07263	4.4
194.10959	3.5
195.08043	22.4
195.11725	9.6
196.08723	4.2
196.12296	3.7
197.09621	7.9
197.13261	9.1
199.07484	2.6
199.11136	4.1
199.14868	15.1
199.16434	3.0
203.08617	4.7
203.10634	5.5
205.10094	3.7
207.08015	3.1
207.11728	3.2
208.08859	3.7
209.09590	11.0
209.13322	11.5
211.11148	13.7
211.14787	8.0
213.09236	4.3
213.12715	4.5
215.10902	2.7
217.12248	4.3
219.11761	3.8
221.09676	4.3
221.13173	4.8
222.06754	4.4
222.10397	5.6
223.11229	5.9
223.14803	9.0
225.12836	5.0
225.16383	5.8
226.13443	9.4
227.14352	4.3
227.17941	4.0
229.12238	3.3
231.13878	3.7
233.13258	5.8
237.09048	8.0
237.12755	13.4
237.16364	7.1
241.12234	4.2
241.19475	24.3
243.13802	5.2
247.11148	7.2
247.48543	3.0
251.14299	7.6
255.13721	5.2
261.12735	3.6
265.08731	4.8
265.12238	17.9
265.15802	6.9
265.19522	6.3
267.09714	3.0
269.15381	12.1
279.13757	4.7
279.18002	3.0
279.21127	11.6
292.07150	3.6
293.08121	4.4
307.13293	5.5
307.16937	5.7
307.20609	12.7
310.08173	2.9
325.10672	18.1
325.14313	38.9
325.18027	15.3
325.21616	100.0
326.11310	3.6
326.14856	6.8
326.21918	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2161
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
53.03935	0.5
53.81985	0.2
55.05275	0.2
55.05516	2.8
57.07077	0.7
65.03915	0.2
67.05235	0.2
67.05508	2.3
69.06723	0.3
69.07070	4.2
71.04990	0.5
71.08644	0.2
73.28838	0.2
77.03897	0.2
77.73006	0.2
79.05492	2.7
81.03466	0.2
81.07061	5.1
83.04985	0.5
83.08620	1.5
85.06548	0.6
91.05481	4.0
93.07047	4.5
95.04963	0.6
95.08609	4.7
97.06518	0.5
97.10190	0.2
98.22740	0.9
98.23425	0.5
99.04449	0.3
103.05486	0.3
105.07030	10.4
106.07390	0.2
107.08598	5.6
109.06522	0.5
109.10161	2.1
111.08070	0.5
115.05447	0.6
117.07018	3.4
119.08578	12.0
120.08885	0.3
121.06504	0.4
121.10146	4.6
123.08048	0.5
123.11694	0.6
127.07607	0.2
128.06216	1.2
129.06990	2.6
130.07782	0.6
131.08571	5.1
132.08945	0.2
133.10129	4.4
135.08026	0.6
135.11722	0.9
141.06978	1.7
142.07774	3.5
143.08574	6.6
144.09383	1.1
145.06474	0.5
145.10126	7.9
146.10486	0.4
147.08038	0.6
147.11696	2.1
149.09630	0.7
149.13199	0.3
153.06984	0.7
153.09036	0.2
154.07759	0.7
155.08556	5.0
156.09351	1.8
157.10130	12.9
158.10672	0.7
159.08051	0.7
159.11696	7.7
159.12794	0.2
160.12292	0.4
161.09619	0.7
161.13271	1.5
163.07544	1.1
163.11131	0.4
165.07019	1.2
165.09140	0.5
166.07761	0.6
167.08560	3.2
167.10623	0.5
168.09355	1.8
169.10126	8.2
170.10745	1.0
171.08080	0.5
171.11703	7.2
172.12230	0.4
173.09636	1.0
173.13239	2.2
175.11212	0.3
175.14836	0.5
177.09094	1.0
178.07738	0.3
179.08559	2.9
179.10666	0.6
180.09314	1.5
181.10135	6.8
181.12196	0.5
182.10875	2.1
183.08102	0.3
183.11703	7.6
184.12129	0.8
185.09500	0.5
185.13242	2.6
186.13707	0.2
187.11176	0.6
187.14819	0.9
191.08644	0.4
191.10680	1.2
192.09375	0.5
193.10149	2.7
194.10902	2.9
195.11687	10.4
196.12425	2.2
197.09613	1.0
197.13243	6.6
198.09985	0.2
198.13942	0.8
199.11201	0.6
199.14766	0.6
201.09116	0.5
201.12813	0.3
203.10605	0.4
205.10294	0.5
205.12270	0.6
206.10916	0.4
207.08083	0.5
207.11674	4.1
208.12466	2.3
209.13248	18.8
210.13863	1.8
211.11220	0.8
211.14809	3.6
212.15457	0.9
213.09131	0.5
213.12759	0.4
215.10690	1.0
217.10191	0.3
217.12247	0.7
218.11049	0.2
219.11787	0.3
219.13806	0.6
221.13220	2.2
222.14000	1.9
223.11481	1.3
223.14801	9.5
224.15523	2.8
225.12750	0.6
225.16359	1.9
226.17209	0.4
227.10603	1.3
227.14244	0.5
227.17966	0.3
229.12231	1.0
231.11694	0.2
231.13783	0.7
233.13277	0.8
235.11099	0.3
235.14819	1.3
236.15546	0.5
237.12955	1.1
237.16373	14.7
238.16907	0.9
239.14328	0.3
241.12254	1.7
242.12878	0.3
243.13797	0.7
245.15465	0.3
247.14835	0.8
249.12790	0.5
249.16281	0.3
250.17061	0.3
251.14383	1.9
251.18010	1.5
252.14592	0.2
252.18674	0.8
253.12231	0.3
253.19415	0.3
254.13033	0.3
255.13803	2.4
256.14441	0.3
257.15369	0.6
261.16354	0.6
263.17929	0.8
265.08621	1.3
265.15948	2.0
265.19522	9.8
266.19952	0.8
267.13828	1.1
268.14468	0.3
269.15369	4.4
270.15887	0.3
279.06314	0.2
279.17444	2.3
279.21021	1.4
280.21643	0.7
281.15515	0.4
282.16162	2.0
283.16888	2.3
283.20102	0.3
284.17505	0.3
289.19473	1.2
293.08008	0.3
297.18451	2.9
307.20462	2.1
310.19293	2.5
311.19879	0.4
325.21609	100.0
326.21976	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2737
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03935	2.7
55.05509	37.1
57.03444	1.9
57.07077	7.9
67.05504	32.6
69.03424	4.4
69.06681	3.2
69.07066	66.6
69.79353	6.2
70.07388	2.4
71.08611	3.3
79.05485	12.1
81.07056	83.5
82.07394	3.2
83.04977	1.9
83.08617	24.9
85.06538	23.4
91.05492	3.7
93.07056	21.8
95.04985	2.4
95.08605	100.0
96.08928	2.2
97.06532	5.5
97.10166	35.6
97.10765	2.3
98.47666	1.7
99.08090	18.4
105.07039	6.3
107.08591	15.8
109.06527	2.9
109.10152	41.9
111.08086	13.0
111.11737	12.0
113.03597	1.5
113.09672	2.0
117.07133	1.6
119.08578	4.6
121.10142	17.0
123.11701	32.7
125.09648	5.9
125.13284	2.4
131.08540	2.5
133.10155	4.7
135.11682	7.7
137.13237	8.4
139.11154	18.2
139.12044	1.9
145.10173	1.9
147.11745	3.6
149.13228	8.7
151.11188	3.2
151.14798	13.4
153.12680	2.3
157.12268	5.3
159.11700	2.3
161.13297	4.6
163.14842	5.5
165.16428	2.4
167.14354	3.0
175.14812	3.7
177.02148	1.5
177.16316	2.7
191.17949	3.2
193.15935	2.8
203.17975	2.1
220.56830	1.6
233.19211	2.4
237.18518	3.2
251.20113	2.1
261.25824	2.5
271.24133	2.5
279.26871	5.6
289.25287	6.7
307.26331	25.8
308.26559	2.0
325.15277	1.6
325.27322	31.7
326.27731	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	2.2
69.03432	1.6
71.04965	1.4
71.28596	1.3
71.28989	1.8
73.02912	1.9
81.03410	1.5
83.04964	2.0
83.46554	1.4
84.08144	3.8
85.02896	7.7
97.02867	2.7
98.98467	90.0
116.32932	1.5
116.99506	2.5
119.01938	3.2
128.44200	1.3
129.05498	3.4
131.01886	2.9
139.04076	1.6
147.00471	1.5
147.06586	1.9
156.97502	7.8
159.01407	1.3
164.01099	6.0
165.01569	2.1
166.15152	1.4
173.02840	1.8
174.98734	5.8
177.00826	1.7
181.56146	1.6
185.02972	1.6
189.03568	2.6
197.02982	2.1
198.98518	4.0
205.01947	1.7
212.05260	2.4
213.03511	1.9
216.99660	1.8
217.01802	1.4
224.96426	3.4
242.09935	1.5
242.97533	2.4
250.99968	1.6
256.98981	2.3
270.97046	3.7
326.06351	100.0
326.11578	7.4
327.04703	6.3
327.06757	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89009	0.9
54.57961	0.9
55.01875	1.8
55.05503	1.1
57.03418	3.2
69.03431	5.4
69.86305	4.1
70.02948	6.3
71.01338	1.4
73.02905	2.5
80.70078	0.8
81.03380	1.1
82.99825	1.5
83.04961	3.2
84.08117	1.0
85.02895	7.2
87.44714	0.9
97.02879	5.5
98.98461	16.7
99.04447	1.3
101.00883	12.9
101.05997	1.3
110.07130	1.3
111.04467	1.5
113.00880	10.3
115.02406	1.4
115.03891	1.1
119.01920	23.4
129.05475	3.1
131.01903	20.7
131.02821	2.0
137.02953	3.6
143.01886	6.2
145.03491	1.8
145.04915	1.4
147.06525	4.3
149.02936	2.1
152.03058	2.4
153.01456	3.2
155.01884	9.3
156.97496	1.4
157.03471	9.8
161.02965	11.6
164.01082	3.9
164.07033	3.7
164.09218	2.1
167.01917	3.1
170.04099	3.9
171.02504	31.0
173.02968	17.3
174.97771	1.9
174.99217	1.3
175.04553	3.3
177.01006	5.8
178.01019	3.9
179.00819	1.0
182.02907	1.7
185.02966	12.9
188.05254	1.5
189.03569	66.6
191.03990	3.1
194.04060	3.4
195.02448	6.4
197.02921	1.1
198.06023	2.2
199.97984	1.9
201.00862	1.5
203.02367	1.2
203.04047	2.5
207.00723	1.2
207.02492	6.0
212.05174	10.5
213.03555	52.8
215.03952	2.9
216.98904	1.6
217.98994	7.1
218.98798	4.5
219.01991	10.0
220.02063	4.3
221.01741	2.9
225.01521	1.4
225.03600	19.5
227.05164	3.6
231.04614	30.3
233.05067	17.1
234.99974	3.5
236.00090	11.8
236.99817	5.4
237.03659	4.1
240.99010	1.9
241.99049	9.7
242.98727	4.3
243.04601	5.6
249.03593	1.7
254.01186	1.2
255.04657	8.9
259.00031	3.6
260.00092	30.3
260.04303	1.1
260.99826	12.6
261.03064	5.7
262.00473	1.1
262.03186	2.5
265.99158	1.5
267.04538	2.7
274.98807	2.5
277.01166	1.4
278.01157	15.2
279.00842	6.8
282.99960	4.0
284.00101	71.0
284.04468	4.7
284.99805	33.3
285.05255	1.6
292.99820	1.5
301.00870	5.0
302.01154	100.0
303.00916	45.4
303.06577	2.7
309.04648	2.0
320.02301	3.8
321.01871	2.0
326.01361	4.7
326.06335	62.7
327.00806	3.1
327.06714	45.8
343.98248	2.3
344.02203	22.2
345.01920	10.4
345.07721	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46766	2.0
59.05004	48.3
64.08620	1.4
69.03436	2.5
69.38270	11.3
77.44709	1.5
81.07104	2.1
81.70819	1.6
85.02902	11.7
85.54900	1.8
87.04465	13.3
97.02864	2.9
97.32259	1.3
98.98473	50.6
98.99125	2.6
101.06031	15.7
103.52180	2.0
107.04977	4.1
115.03935	46.1
116.99586	1.9
127.03922	2.4
129.05487	100.0
130.05798	3.7
145.04968	1.8
147.06531	41.4
174.99274	6.4
180.08600	1.9
182.33301	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22386	0.5
55.01887	0.5
55.95875	0.5
59.04999	22.9
60.03509	0.6
60.05351	0.5
61.02936	0.9
68.26638	0.5
69.03419	2.1
69.48229	0.5
70.06599	3.7
70.06934	0.7
71.05009	0.8
71.30386	1.3
73.02885	0.6
81.03413	0.6
84.94753	0.5
85.02902	5.1
86.09708	1.1
87.04469	1.7
91.05479	0.6
92.06955	0.5
93.07040	0.7
97.02879	0.9
98.98464	100.0
101.06013	6.3
102.40380	0.5
110.07092	0.6
115.03918	6.0
115.20219	0.5
116.07048	0.8
116.89016	0.5
116.99512	3.0
120.35934	0.6
127.03873	0.9
129.05476	51.0
130.05826	1.0
137.05994	1.3
137.99496	0.5
142.83292	0.6
145.04950	1.5
145.47812	0.6
147.06514	18.6
148.06956	0.5
151.03827	0.8
155.35597	0.6
163.03859	0.6
164.07021	0.7
174.99223	10.4
175.07484	0.6
180.08705	1.0
185.42557	0.7
211.14424	1.3
213.12421	1.5
250.99977	1.8
326.12534	0.7
327.04965	0.8
327.10425	1.6
327.14178	4.6
327.17557	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
65.12869	4.8
70.06599	5.5
70.80878	7.3
70.81226	4.7
85.02892	5.9
94.72181	3.4
98.98466	82.8
101.62022	3.7
114.89358	6.5
174.99236	7.3
189.03642	6.9
209.97095	4.3
213.03654	5.3
311.86029	4.0
327.04605	100.0
328.05847	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.048
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48842	1.2
69.03426	2.5
70.06606	1.6
82.17414	1.2
85.02922	4.1
97.02889	1.2
98.98473	100.0
105.60692	1.1
116.99507	1.5
119.01932	3.6
121.02876	1.4
127.03860	1.2
131.02013	1.2
156.97527	4.2
161.02936	1.6
164.07133	1.9
174.99295	10.3
189.03607	4.2
197.02963	3.4
198.98528	2.0
213.03642	1.4
215.04048	1.9
224.96564	1.5
231.04659	2.1
233.05031	2.5
242.97595	1.5
256.98846	1.3
327.04587	26.5
327.11978	2.6
327.15475	1.8
328.05469	1.6
345.72308	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	2.0
57.03441	4.4
63.26415	0.7
69.03409	2.4
70.02959	9.2
71.01340	1.9
71.14591	1.4
73.02895	2.3
80.15965	0.6
82.99861	2.6
84.87570	0.7
85.02909	3.5
94.99847	1.4
97.02901	1.6
98.98461	18.1
101.00880	19.2
105.13982	0.8
113.00874	14.7
115.02432	1.0
115.03897	2.0
119.01917	29.4
120.02026	1.6
131.01901	26.2
132.01959	1.5
133.03458	1.3
133.04938	2.1
135.00386	0.8
136.03906	1.1
137.02933	3.1
139.02409	1.4
143.01909	6.2
145.03395	0.9
149.02919	1.2
153.01427	7.4
155.00743	1.1
155.01907	12.7
155.03078	1.6
156.02069	0.8
157.03468	13.4
158.03616	0.9
160.99504	0.8
161.02948	14.3
162.03061	1.2
167.01895	3.1
171.02509	44.8
172.02661	3.1
173.02948	19.4
174.03169	1.1
175.04550	3.8
177.01093	0.7
178.01007	1.3
182.02946	2.7
185.02951	16.3
186.03137	0.9
188.04056	0.9
189.03566	100.0
190.03763	5.2
191.04048	2.7
195.02528	9.9
196.02763	0.9
200.04044	1.1
203.04021	2.0
207.02509	6.7
209.04115	1.6
213.03568	69.9
214.03644	4.4
215.03824	6.0
218.98772	1.5
219.01996	1.9
220.02016	1.7
221.01791	1.1
224.04137	0.8
225.03575	28.6
226.03758	1.8
227.05115	4.2
231.04620	47.2
232.04799	2.2
233.05074	21.7
234.05215	1.1
236.99704	2.6
237.03505	5.7
237.67703	0.9
238.03833	1.6
239.05125	1.6
242.98505	3.4
243.04634	7.4
249.03645	2.1
255.04602	10.4
256.04831	1.0
260.99820	6.3
261.02933	1.5
262.00192	0.7
262.03229	2.1
263.02969	0.8
267.04700	3.6
279.00842	2.7
279.08057	0.8
284.99844	16.0
285.05206	2.7
285.14737	0.9
285.99759	1.8
301.01035	0.7
303.00897	22.0
303.06345	4.0
304.01111	4.4
304.04242	0.9
327.00687	1.5
327.06720	49.4
328.06851	3.8
345.02182	4.3
345.07635	5.0
346.01984	1.1
348.57465	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0862
Annotation	Millettocalyxin A
Peak:m/z	Relative Intensity
50.97184	0.3
55.01848	1.0
55.05495	0.4
55.37319	0.3
58.02948	0.3
58.37990	0.4
65.03913	0.8
67.05473	0.8
67.49350	0.3
68.99780	0.5
69.03432	0.6
69.11436	2.8
71.95515	0.3
77.03918	0.6
79.05466	0.9
81.07032	0.8
85.02908	0.5
91.05481	8.2
93.03402	0.8
93.07031	0.6
95.04958	0.6
97.06495	0.4
98.22529	0.5
98.98465	27.9
100.11234	0.8
103.05458	0.3
105.03379	0.5
105.07028	0.7
107.04939	0.8
107.08633	0.4
109.06471	0.4
111.04405	1.0
114.09171	1.3
115.05392	0.4
119.04941	4.5
119.08620	0.4
120.05703	0.7
121.02852	1.3
121.06479	0.7
123.04424	19.2
124.04720	0.4
125.05968	0.6
127.03957	0.3
128.10693	0.3
129.06990	0.3
131.04938	2.1
133.06482	0.5
133.10135	0.4
135.04411	0.5
135.08066	0.5
137.05969	3.9
142.08601	0.3
143.04906	0.4
145.06467	0.4
147.04407	30.8
148.05209	2.3
149.05942	0.7
151.03918	1.6
151.04907	0.3
151.07556	0.6
153.05478	2.0
153.06538	0.3
156.10107	0.4
157.06447	0.3
159.04355	0.5
160.05154	0.4
161.05968	0.8
163.03911	8.7
163.07486	0.5
165.05455	1.1
165.06804	0.3
168.13841	0.5
171.72820	0.3
173.05910	0.4
174.99254	2.6
175.03903	100.0
176.04648	9.2
177.05399	1.2
178.07782	0.4
181.06673	0.3
187.03926	1.5
187.07501	0.4
189.05473	11.7
189.06970	0.6
189.09077	0.6
191.08566	0.6
195.08200	0.3
202.07840	0.7
203.03471	1.5
203.06985	0.5
203.08556	2.9
204.09004	0.4
205.04955	18.5
206.05371	0.7
206.07323	0.6
207.08112	0.4
211.07594	0.4
217.04941	2.5
218.07457	0.4
219.08061	1.2
223.07397	0.3
225.09070	0.4
231.08023	3.1
232.08714	0.5
234.06805	1.0
235.07500	0.5
237.09019	0.5
239.67593	0.3
247.07616	1.6
248.08398	1.6
249.09077	3.2
251.06876	0.5
252.29396	0.3
253.08650	0.4
255.40141	0.3
259.07663	0.5
263.06976	1.1
263.10638	1.3
264.07690	0.4
265.08575	1.6
266.09131	0.4
267.10226	0.4
275.23978	0.3
276.07828	0.8
277.08588	3.0
281.08142	1.1
291.10104	2.8
294.08878	0.8
295.09665	1.0
297.11099	0.7
299.05432	0.3
299.12695	0.4
309.07562	2.3
309.11227	3.2
327.08652	73.0
327.12210	7.7
328.08978	5.5
328.12445	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1227
Annotation	Fortunolide B
Peak:m/z	Relative Intensity
55.01864	0.8
58.47424	0.2
65.03951	0.3
69.35658	1.9
79.05489	0.9
81.07024	0.3
83.04984	0.3
85.58891	0.2
88.01628	0.3
91.05476	2.0
93.07026	0.4
95.04932	0.7
98.98465	29.9
103.05473	0.9
105.07025	0.9
107.04967	1.7
109.06530	0.6
111.04469	0.4
115.05444	1.3
116.99500	0.4
117.06958	0.3
119.04913	0.9
119.08607	0.3
121.02789	0.3
121.06488	1.1
122.03654	0.8
123.04460	0.5
129.77815	0.3
131.04910	1.7
132.05435	0.2
133.06522	1.5
134.03616	1.2
134.06795	0.5
135.04399	1.1
135.08057	0.9
136.04776	0.6
137.02321	0.3
137.05971	15.1
138.06299	1.1
139.03964	0.3
143.04903	1.1
145.06522	0.7
146.03632	1.1
147.04385	0.3
149.05954	1.9
151.03828	1.4
151.07544	2.8
153.05496	0.3
154.07681	0.4
159.04398	0.4
160.05174	1.7
161.05978	12.6
162.06332	0.6
162.93715	0.3
163.07568	2.3
164.07855	0.5
165.05559	0.4
165.06979	6.3
165.08234	0.4
165.09178	0.5
166.07460	0.6
167.08569	1.1
171.07993	0.3
172.05150	0.3
174.06749	0.5
174.99225	3.7
175.07542	2.5
177.05490	0.6
177.06970	0.5
178.07753	0.9
179.07019	1.3
179.08559	2.7
181.06499	1.2
182.07263	2.5
183.07954	0.4
188.04681	13.6
189.05309	0.7
189.07016	0.7
189.09099	0.3
191.06998	3.3
191.08498	0.4
193.06476	7.8
194.07091	0.9
195.08025	1.0
196.08813	0.9
197.09621	1.4
199.07494	0.4
202.06154	0.4
203.07028	20.6
203.10709	0.8
204.07368	0.9
205.06619	0.6
205.08601	2.0
206.05641	0.3
206.07195	1.3
207.08032	3.2
208.08650	0.6
209.05991	0.7
210.06746	6.4
211.07449	1.3
217.06537	0.7
218.07207	0.7
220.05145	0.3
221.05962	12.1
221.09584	1.0
222.06470	1.1
223.07607	1.5
224.08298	2.9
225.09090	14.2
226.09377	0.9
227.07053	1.6
234.06749	1.7
235.07539	3.2
236.08205	0.3
237.05476	0.8
237.09116	0.5
238.06227	2.7
238.09805	0.4
239.06862	1.0
239.10695	2.1
241.08788	0.6
242.09206	0.6
245.06047	0.7
248.08295	0.3
249.09082	3.3
250.09782	0.4
250.99968	0.5
251.07074	2.9
252.07805	4.4
253.08592	16.7
254.09036	1.6
255.06567	1.4
255.10060	0.4
257.11725	0.4
262.06250	1.1
263.07028	0.6
265.08569	0.6
266.09406	2.7
267.10138	11.1
268.10559	0.8
269.08157	1.0
269.11703	0.3
270.08868	1.0
277.08542	4.6
278.08997	0.5
279.06549	1.0
280.07285	4.7
281.07761	0.6
281.11771	1.0
283.09665	0.6
284.10315	0.6
285.11209	15.6
286.11633	1.0
294.08820	3.7
295.09607	9.8
295.12985	0.6
296.10095	1.0
297.07657	0.5
297.11084	0.4
299.12778	1.3
309.11203	13.2
310.11621	1.1
311.09158	0.8
312.09921	1.4
318.59796	0.3
327.12247	100.0
328.12613	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.159
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
52.74484	0.4
53.03943	0.5
53.63870	0.4
55.01868	1.1
55.05492	0.5
65.03940	1.2
66.04724	0.4
67.05515	1.0
68.76202	0.4
69.03435	0.9
71.05000	0.5
74.97993	0.3
77.03923	0.6
79.05499	4.1
81.03418	0.9
81.07079	2.0
81.31612	0.4
85.23795	0.4
89.03919	0.7
91.05484	5.9
93.03405	1.2
93.07028	0.8
94.04182	2.8
94.92650	0.5
95.04984	1.2
95.08584	0.7
98.98470	16.2
98.99123	0.9
100.75664	0.4
103.05466	21.1
105.07034	10.4
105.07754	0.5
107.04945	3.5
107.08575	0.7
109.02923	0.5
109.06523	3.3
109.10172	1.1
111.04450	0.9
115.05502	2.4
115.06218	0.6
116.04152	0.4
117.03359	0.7
117.07033	2.5
119.04940	1.9
119.08577	0.5
120.05753	0.5
121.06501	7.0
121.10182	0.5
122.03651	6.7
123.04436	1.1
123.08059	1.0
125.05968	1.4
128.06227	0.9
129.07013	0.8
131.04932	22.8
132.05226	1.1
133.06490	35.7
134.06815	0.8
135.04407	1.0
135.08047	12.5
135.09087	0.7
136.05034	0.5
137.05975	100.0
137.09610	1.6
138.06310	3.0
143.04921	1.5
143.08527	1.0
145.02811	0.4
145.06493	8.3
147.04388	0.7
147.08035	3.4
149.06030	2.2
151.03911	2.0
151.07541	13.7
152.07875	0.5
153.05453	2.8
155.06061	0.5
157.06461	3.2
160.05212	1.0
161.05983	1.1
162.06779	1.1
163.03914	4.5
163.07542	52.5
164.04239	2.6
164.07898	2.2
165.04443	2.7
165.09129	1.2
169.06604	0.5
171.07993	1.6
173.05995	0.7
174.99185	2.1
175.07555	4.8
177.09100	1.1
187.07538	1.1
189.09076	2.0
202.07739	1.0
203.07031	0.7
203.10678	1.8
207.08046	1.0
207.11745	0.6
217.10181	1.3
219.08133	0.5
220.08899	0.5
234.06821	0.5
235.07501	0.6
235.11082	2.3
245.09656	1.5
248.08401	0.9
249.09050	0.7
253.08708	0.7
263.10739	3.4
267.10095	0.8
277.08606	0.7
295.09940	1.0
295.13278	10.8
296.13568	0.7
297.11200	0.5
327.05014	0.5
327.08661	0.9
327.12259	4.7
327.15912	9.1
328.16226	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1588
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03941	0.8
54.07166	0.5
55.01868	1.7
59.12633	0.4
65.03932	0.7
67.05499	0.8
69.02050	1.5
69.02465	3.3
69.03442	0.5
79.05489	7.3
81.07085	0.6
91.05477	10.7
93.07027	1.0
94.04212	0.6
95.04968	3.7
98.98462	42.9
103.05466	19.3
104.06232	1.4
105.07021	6.3
107.04949	100.0
107.08585	1.5
108.05284	2.1
109.06519	0.7
111.04429	0.7
111.38837	0.5
115.05447	9.6
115.76099	0.5
116.99492	0.8
117.07011	3.8
119.04922	2.1
119.08592	1.1
120.05700	1.4
120.82573	0.5
121.06508	4.1
122.03640	1.3
128.06218	3.6
131.04915	8.9
132.05684	2.1
133.06500	3.3
135.04468	0.6
135.08047	11.4
137.05980	14.4
143.08559	6.3
144.29121	0.5
145.06479	4.5
145.07617	2.0
146.07239	2.8
147.04379	1.3
147.07988	0.8
149.05960	5.8
151.07520	7.3
155.06123	0.7
159.08020	0.9
160.08821	0.6
161.09616	4.1
162.06749	1.3
163.07533	92.6
164.08324	18.0
165.09030	0.8
166.67030	0.5
171.08040	6.2
173.05904	1.1
174.06754	0.7
174.99197	3.3
175.07518	3.8
175.11220	0.6
177.09081	1.3
187.07536	1.3
188.08301	6.1
195.08008	0.6
199.92311	0.6
203.10663	30.2
204.11021	1.2
207.11505	0.7
220.08829	0.5
221.09615	0.6
235.07436	0.7
235.11400	0.9
269.07965	0.5
269.13211	0.9
270.13959	1.0
283.09619	0.9
284.15445	0.7
285.16174	0.7
295.13092	1.2
297.12665	1.1
298.11926	0.8
311.14371	0.6
312.14960	1.2
327.12027	0.9
327.16684	7.9
328.17487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01864	1.5
55.05510	0.8
55.81868	0.5
57.19609	0.6
65.92818	0.6
67.05494	1.5
69.07064	1.0
77.01603	0.7
77.03929	0.6
79.05499	6.7
81.07054	1.8
91.05473	7.6
93.07042	1.8
95.04971	3.1
95.08630	1.2
96.63512	0.5
97.06542	0.5
97.10159	0.8
98.98466	100.0
103.05473	15.1
104.06263	0.9
105.04487	0.6
105.07036	6.3
107.04956	68.7
107.08593	2.5
108.05299	1.6
109.06538	1.0
109.10166	0.5
115.05447	5.5
116.99525	2.9
117.07033	3.8
119.04952	1.3
119.08574	1.2
120.05790	0.8
121.06504	2.1
122.03622	1.4
123.08101	1.1
128.06239	4.1
131.04939	5.2
131.08534	1.0
132.05719	1.1
133.06535	1.6
133.10126	1.0
135.08049	7.6
137.05980	11.0
142.07730	0.7
143.08565	5.0
145.06464	3.1
145.07610	1.6
145.10085	0.8
146.07269	2.2
147.04405	0.8
147.08063	1.1
147.11703	0.6
148.05241	0.8
149.05969	5.1
149.09549	0.6
151.03899	1.8
151.07570	5.4
157.10168	1.3
159.08052	0.7
160.08746	0.8
161.05946	1.4
161.09612	2.3
161.13229	0.6
162.06728	0.9
163.07541	65.8
164.08339	11.3
165.07047	0.7
165.09148	1.0
171.08063	4.6
171.11722	1.4
173.05992	0.7
173.13283	0.7
174.99237	11.6
175.00624	1.0
175.07590	3.6
175.11150	0.9
177.09131	1.2
185.13284	0.9
187.07584	0.7
188.08318	5.3
189.11230	0.8
195.08087	0.8
199.14630	0.8
203.10655	18.0
204.11000	0.8
225.16309	0.8
233.82680	0.6
234.06647	0.6
237.09047	0.9
251.00102	0.8
253.08563	1.0
263.10547	1.1
271.16971	1.0
277.08484	0.8
277.44858	0.5
280.58249	0.6
283.09769	0.8
295.09576	1.0
295.13098	1.3
298.12106	0.8
309.11142	0.8
312.09821	0.6
327.08868	0.9
327.12219	3.4
327.15939	4.7
327.19589	0.9
327.23077	4.7
328.23325	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.159
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03946	0.7
53.54474	0.4
55.01876	1.1
57.67483	0.4
65.03936	1.0
66.04723	0.4
69.02438	3.7
74.92150	0.4
79.05493	3.2
81.07052	0.9
91.05481	4.8
94.04183	3.3
95.04984	1.0
98.98466	11.8
98.99117	0.6
102.04749	0.4
103.05468	22.4
104.05815	0.6
105.07032	10.0
107.04951	3.7
109.06516	3.2
111.04453	0.4
115.05431	2.3
117.07058	2.3
118.69991	0.4
119.04935	1.2
119.28338	0.4
121.06498	7.4
122.03642	8.0
123.04402	0.4
123.08070	1.5
128.06239	1.0
129.07007	1.1
131.04927	23.7
132.05280	0.5
133.06494	37.3
134.06842	1.2
135.01471	0.4
135.08047	11.7
136.05200	1.0
137.05975	100.0
138.06306	3.6
141.06975	0.6
143.04942	1.6
144.05661	0.6
145.06483	7.9
147.04407	0.5
147.08046	2.8
149.05948	2.2
151.06378	0.8
151.07550	13.1
153.05482	0.7
155.06052	0.8
157.06468	3.6
160.05154	0.9
161.05968	1.2
162.06787	1.0
163.07541	56.4
164.07892	1.7
165.06984	0.8
165.09154	0.6
171.08051	1.6
174.99231	1.1
175.07535	4.0
177.09097	2.0
179.08527	0.6
187.07538	2.0
188.08188	0.5
189.09143	1.5
191.08546	0.5
192.09431	0.5
193.06494	0.5
202.07762	0.5
203.07018	0.6
203.10690	1.9
204.29926	0.4
207.08089	0.7
217.10052	0.6
219.08015	0.4
220.08830	1.3
221.09691	0.5
225.09189	0.6
235.07703	0.5
235.11143	2.6
237.08994	0.5
237.12698	0.4
245.09630	1.2
248.08415	0.7
253.08479	0.8
261.68829	0.4
263.10684	4.8
267.10248	0.6
267.13693	0.6
295.09891	0.7
295.13242	10.6
296.13596	0.9
309.11163	0.7
312.13528	0.5
327.12177	3.5
327.15869	6.7
328.12558	0.4
328.16031	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29193	1.6
52.07641	2.0
53.03930	4.8
53.44854	1.7
55.01865	5.7
55.05510	17.8
65.03910	1.8
67.05505	17.4
69.03416	6.5
69.07063	7.4
71.04988	2.6
71.30816	3.2
79.05489	16.2
81.03420	59.1
81.07065	24.4
83.04984	55.1
83.08643	2.5
91.05480	20.8
93.07042	34.3
93.08682	2.0
95.04966	18.3
95.08600	23.3
97.06544	4.9
98.98465	97.6
103.05474	4.0
105.07030	31.8
107.04945	3.4
107.08596	23.2
107.13794	1.8
109.06525	42.7
109.10164	6.6
111.04466	23.4
111.08093	9.4
113.06018	5.4
115.05478	6.0
116.06223	2.4
117.07016	15.1
119.04966	2.4
119.08585	33.4
121.06529	12.1
121.10120	18.3
123.08063	5.7
125.06007	2.4
128.06200	9.6
129.07047	12.2
130.07782	4.5
131.04906	4.7
131.08557	26.1
133.06488	5.4
133.10135	14.2
135.08051	13.4
135.11682	7.5
136.72713	1.8
137.06053	2.1
139.07565	3.9
141.06979	8.0
142.07767	11.1
143.08562	33.5
144.09305	2.8
145.06473	33.5
145.10136	37.4
147.08023	13.2
147.11691	10.7
149.09663	8.6
151.07559	2.7
153.07021	2.7
154.07762	2.1
155.08548	14.3
156.09387	9.2
157.06503	5.6
157.10106	28.2
158.07283	3.2
158.10898	4.3
159.08055	83.3
159.11661	18.1
160.08662	2.3
161.09608	26.5
161.13264	3.1
161.47244	1.9
163.07605	2.2
163.11174	6.0
165.07021	3.2
166.07700	3.6
167.08585	8.1
167.10016	1.5
168.09349	4.4
169.06499	3.5
169.10144	20.4
171.08057	23.2
171.11688	31.5
172.08772	9.2
172.12425	3.9
173.09677	23.3
173.13239	12.3
174.99231	10.5
175.11166	4.2
179.08609	3.7
180.09366	4.5
181.06554	4.7
181.10156	10.9
182.10941	4.7
183.08066	9.3
183.11699	18.9
184.08852	4.6
184.12439	5.9
185.09631	16.2
185.13235	13.1
186.10416	5.3
187.11180	96.1
187.14772	2.8
188.11748	8.9
189.12740	6.4
190.06036	1.9
191.07082	2.4
191.10664	4.3
192.09328	4.0
193.10173	5.7
195.08040	3.6
195.11671	17.6
196.12459	3.3
197.05873	2.8
197.09674	7.8
197.13237	11.1
198.10329	4.2
199.11186	36.4
199.14816	18.9
200.11945	5.8
200.15588	2.5
201.12743	18.5
201.16391	2.2
203.10709	2.4
207.11707	5.2
209.09709	5.3
209.13220	14.3
210.14076	6.3
211.07536	5.3
211.11165	9.2
211.14798	7.7
212.11819	2.5
213.12759	56.0
213.15953	2.3
214.13313	5.8
215.14301	15.2
217.12285	2.8
217.15921	3.0
219.11864	3.1
219.13757	10.0
221.09738	2.4
221.13290	5.7
223.11227	4.0
223.14713	2.4
224.07899	2.0
225.12759	11.0
225.16400	4.4
227.14301	22.5
228.15083	100.0
229.08569	8.1
229.15703	12.1
231.13797	3.0
233.13304	2.7
233.15344	2.6
235.14778	3.1
237.12720	2.2
237.16423	2.7
238.06277	4.6
239.10764	2.7
239.14136	4.8
245.15421	8.4
249.12640	2.8
251.14461	2.5
253.12286	3.7
253.15845	9.0
257.11703	2.3
263.18005	6.8
265.15964	4.0
267.13870	6.8
267.17386	4.2
269.07852	2.3
281.18961	16.8
283.06024	3.0
283.17120	2.8
291.17490	7.1
296.06778	2.5
297.11145	2.5
309.18506	29.3
312.06107	3.5
313.07056	2.8
327.08426	13.5
327.12302	9.0
327.19583	97.2
327.23004	7.4
328.09122	3.7
328.19904	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87219	2.3
53.03939	6.3
55.01862	2.4
55.05511	11.6
57.03445	4.0
57.07076	4.9
59.05015	3.1
61.93382	2.3
64.30714	2.1
65.03922	4.3
67.05510	32.8
69.07057	15.2
69.41757	16.1
71.04986	5.1
79.05499	26.2
81.03429	4.7
81.07060	37.1
83.04987	3.3
83.08614	5.2
91.05482	38.1
93.07047	66.0
95.04975	51.6
95.08610	60.7
97.06540	14.7
98.98474	40.3
103.05438	3.2
105.04540	3.5
105.07041	66.7
107.08591	44.8
109.06535	11.7
109.10155	25.1
115.05472	8.9
117.07034	21.9
119.08577	66.3
121.06510	14.5
121.10151	33.7
123.08095	9.3
123.11723	9.9
128.06221	6.9
129.07025	15.9
130.07820	4.2
131.08569	35.0
133.06557	2.8
133.10121	44.1
135.08072	7.9
135.11719	10.3
139.05498	2.5
139.99794	2.5
141.06981	6.9
142.07779	12.0
143.08565	30.7
144.09332	8.2
145.06490	3.2
145.10120	41.9
147.08076	5.5
147.11702	20.0
149.09685	6.2
149.13251	3.2
152.06206	12.7
153.07011	12.6
155.08524	15.1
156.09357	8.5
157.10123	36.6
159.08057	4.4
159.11685	44.5
161.09668	12.0
161.13274	10.0
163.11256	3.0
165.06915	5.5
167.08617	7.4
168.05760	5.8
169.06532	4.0
169.10104	18.6
170.10960	4.5
171.08000	3.6
171.11684	20.3
173.09642	3.9
173.13248	14.3
174.99176	2.7
175.11188	3.9
175.14842	15.2
177.09146	2.7
178.56808	2.4
179.08545	3.2
180.46997	2.7
181.06490	6.2
181.10144	4.5
182.10992	3.8
183.08047	2.8
183.11664	17.4
185.09682	5.0
185.13274	16.5
187.11238	7.5
187.14798	25.4
189.16478	3.8
191.10727	2.7
193.10156	7.5
194.10870	5.3
195.08113	3.4
195.11687	7.1
197.06039	6.0
197.09496	2.5
197.13210	14.1
199.03836	3.3
199.07581	5.4
199.14868	15.1
200.15312	2.7
201.12672	3.0
201.16357	3.2
205.12276	4.8
205.15872	3.3
206.98972	2.6
207.11743	3.8
207.13776	3.0
209.06047	4.7
209.13281	7.3
210.06697	5.8
211.07417	2.9
211.14893	13.4
213.05515	6.9
213.12805	2.8
213.16454	8.0
217.15913	4.5
219.13850	4.2
219.65445	2.8
220.12459	4.5
223.14870	5.8
224.04454	3.7
225.05475	11.5
225.16417	8.9
227.07097	7.5
227.14511	6.0
229.08427	4.1
233.03688	6.0
233.15343	4.8
235.14815	7.2
237.05664	4.7
237.09138	3.0
238.06285	17.8
239.07048	8.4
239.17787	3.7
240.04306	5.0
241.04863	13.6
241.08559	2.9
242.05681	10.5
243.13820	3.3
245.15552	4.5
249.16444	3.0
251.04793	4.3
252.07849	3.5
253.04948	9.6
253.08688	4.2
253.15898	6.5
253.19432	3.2
254.05678	10.5
255.06422	12.0
257.07983	3.9
257.15283	3.6
261.05029	2.7
265.04956	2.8
266.05609	7.5
267.03537	2.4
267.06403	12.5
267.17487	7.1
267.21027	5.3
268.07373	3.8
269.04443	11.9
269.08099	5.2
269.12146	2.5
270.05167	6.0
271.17099	4.2
280.03299	2.6
280.07358	3.7
281.04401	4.5
281.08127	6.0
281.22467	2.6
282.05148	4.6
283.06033	29.5
283.09000	4.6
284.03220	11.4
284.06705	10.5
285.07581	13.8
295.06088	4.8
295.09698	12.7
296.06836	6.6
296.10388	6.7
297.07452	7.6
297.11185	9.6
298.08337	15.3
299.05563	15.1
299.08740	5.9
309.22125	13.4
312.06058	28.3
312.09558	4.8
313.07004	32.3
327.08401	100.0
327.12259	26.0
327.23196	96.0
328.09363	59.6
328.13034	4.5
328.23560	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2317
Annotation	Confluentin
Peak:m/z	Relative Intensity
53.03940	1.3
55.05511	5.4
57.07079	1.1
67.05506	10.3
69.07066	6.7
70.16374	0.7
71.05006	1.6
78.75529	0.8
79.05484	7.2
81.07061	11.4
83.04960	0.8
83.08615	2.9
85.02913	1.4
85.06548	1.5
86.76686	0.8
91.05483	10.5
93.07044	15.8
94.39040	0.7
95.08604	24.3
97.10197	1.3
98.22525	1.1
98.23210	4.9
98.98462	16.3
99.08083	1.4
104.08137	0.9
105.07030	26.7
107.08593	22.2
109.06502	1.1
109.10151	11.1
111.08112	1.4
115.05473	0.9
116.06308	1.0
117.07040	5.8
119.08576	22.9
121.06508	1.5
121.10146	11.9
123.07996	0.8
123.11685	1.8
124.05354	0.7
127.07567	2.9
128.06223	1.6
129.06987	6.3
130.07738	1.1
131.08585	11.1
133.06458	1.4
133.10138	15.3
134.10400	0.8
135.08055	1.6
135.11690	4.5
139.07516	0.8
141.06999	1.2
142.07771	6.1
143.08582	12.5
144.09314	2.4
145.10124	18.4
146.10464	1.2
147.08067	1.5
147.11693	14.3
149.09659	1.4
149.13260	2.3
155.08525	5.3
156.09325	2.4
157.10129	24.5
158.10565	2.2
159.08037	1.2
159.11700	16.0
161.09622	2.3
161.13237	11.1
162.13602	0.8
163.14842	0.9
165.09148	1.1
167.08629	1.2
169.10133	5.5
170.10809	2.3
171.08064	1.0
171.11693	11.4
173.09610	2.4
173.10957	0.8
173.13240	9.2
174.99243	1.2
175.14818	1.7
177.09125	2.6
179.10666	1.3
181.10210	1.3
181.12212	1.6
182.10928	1.4
183.11705	9.4
184.12167	1.3
185.09593	1.2
185.13293	7.3
187.14810	2.9
189.12682	1.1
191.10695	2.7
193.12317	0.9
195.11679	3.3
196.12137	1.0
197.13345	6.7
199.11259	1.9
199.14787	8.2
201.08958	0.9
201.12843	0.9
203.10643	2.8
205.12276	3.2
207.11845	1.4
207.13821	1.2
209.13263	3.3
211.14813	8.3
213.12755	1.1
213.16328	5.5
217.12354	2.3
219.13702	4.7
219.82124	1.0
223.14861	1.5
225.12723	1.0
225.16356	6.4
227.18013	2.9
229.12325	1.8
229.19606	1.0
231.13815	2.3
233.15445	2.5
235.14922	1.8
237.05531	1.1
239.14182	1.2
239.17938	2.0
245.15501	1.0
249.16316	1.2
253.15900	2.1
254.20279	1.2
257.15375	4.0
265.19513	1.2
267.06570	1.0
267.17538	2.3
267.21124	6.2
271.16974	4.3
284.17627	1.7
285.18478	2.4
291.21072	2.2
295.06055	2.0
295.45956	0.8
299.23550	1.1
309.22061	4.1
311.09100	1.0
312.09879	2.9
312.20865	1.0
313.06973	1.8
327.08377	3.4
327.12338	6.6
327.23166	100.0
328.09445	1.2
328.23569	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2316
Annotation	Confluentin
Peak:m/z	Relative Intensity
53.03939	2.1
55.01865	2.9
55.05513	9.1
57.07067	3.1
60.03987	1.2
67.05504	16.4
69.03438	1.7
69.07060	12.4
69.07422	3.1
69.07849	10.4
73.02929	1.8
79.05497	16.9
81.07056	29.7
83.04994	1.6
83.08624	6.9
91.05480	21.1
93.07044	34.7
95.04977	3.4
95.08609	39.6
97.10177	2.3
98.98470	59.6
103.05489	2.3
103.42387	1.5
105.07034	34.5
107.05000	1.6
107.08587	31.8
109.06541	1.8
109.10151	17.4
111.08099	1.9
115.05452	2.2
117.07031	10.1
119.08584	27.2
121.06507	1.9
121.10141	20.4
123.08064	2.7
123.11709	4.2
126.10134	1.2
127.07491	1.3
128.06258	2.5
128.76067	1.4
129.07014	9.6
130.07747	2.2
131.08566	23.6
133.06488	3.0
133.10138	19.0
134.10539	1.4
135.08093	1.9
135.11699	16.9
137.05969	3.3
139.07552	3.5
141.07033	4.0
142.07799	2.9
143.08568	19.1
144.09406	6.0
145.06468	2.7
145.10110	28.9
146.10608	2.0
147.08063	4.6
147.11700	18.9
149.13266	7.3
151.07607	3.2
155.08548	10.2
156.09314	3.2
157.06520	2.8
157.10130	20.7
158.10773	1.4
159.08113	3.4
159.11707	29.7
161.05956	1.7
161.09624	4.0
161.13248	17.4
163.07567	1.9
163.14864	3.4
165.09122	2.8
167.08519	2.7
168.09378	1.5
169.10139	10.8
170.10825	1.4
171.08052	2.7
171.11699	14.1
173.09634	2.0
173.13268	26.0
174.13988	2.2
174.99223	6.5
175.07610	3.3
175.11215	1.8
175.14804	3.6
179.08636	2.2
179.10663	2.5
181.10100	3.0
182.10899	1.8
183.11714	9.1
185.09653	5.7
185.13223	16.3
186.13953	1.5
186.27690	1.3
187.11223	3.0
187.14810	10.6
189.06543	1.3
189.09117	4.2
189.16412	2.8
191.10722	2.7
195.11705	3.7
197.09494	1.4
197.13286	11.6
198.10248	1.5
199.07565	1.5
199.11269	2.4
199.14841	14.0
200.15509	2.0
201.12711	1.6
201.16426	2.9
203.10657	4.9
205.12273	2.7
207.11700	2.5
209.13235	2.7
211.11246	1.4
211.14798	8.1
213.09315	2.6
213.12759	4.5
213.16376	2.8
215.10748	1.6
215.14288	1.8
217.12228	5.8
219.13799	3.6
223.14655	2.0
225.12804	2.4
225.16350	9.0
226.17029	1.7
227.07133	1.4
227.14317	2.6
227.17943	3.8
229.12256	2.4
229.19579	3.3
231.13826	7.3
233.15370	1.6
235.14742	1.8
237.16296	1.8
239.14273	2.1
239.17969	5.4
241.08638	2.5
242.09279	1.3
242.20677	1.6
243.13814	2.2
243.21112	6.2
245.15445	6.5
249.16350	2.7
253.15892	4.9
253.19502	2.0
255.06519	2.0
255.10062	2.0
257.15533	2.8
267.17441	6.8
267.21014	3.6
270.08771	6.8
271.16946	7.6
281.08209	1.4
281.22604	19.0
284.10431	4.9
285.11215	4.7
285.18591	3.2
291.20880	2.3
309.22095	14.2
312.13284	2.0
313.10602	7.3
313.19440	1.5
327.08664	2.3
327.12280	6.1
327.23196	100.0
328.12909	8.9
328.23495	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2317
Annotation	Confluentin
Peak:m/z	Relative Intensity
53.03937	1.1
54.81745	0.3
55.01857	0.6
55.05269	0.5
55.05510	5.7
57.07056	1.1
65.03917	0.7
67.05175	0.5
67.05502	6.7
69.03379	0.3
69.07068	8.9
69.93800	1.1
71.04974	1.3
79.05493	5.9
81.07054	13.9
82.07415	0.3
83.04971	1.2
83.08610	3.1
85.02921	0.5
85.06531	1.2
91.05470	6.7
93.07041	11.9
94.07374	0.3
95.04954	1.2
95.08603	15.9
97.06534	1.5
97.10157	1.1
98.98463	12.3
99.04431	0.5
101.05991	0.8
103.05472	0.5
105.07024	22.8
106.07324	0.7
107.08592	13.5
109.06488	1.4
109.10152	6.5
111.04417	0.5
111.08063	1.1
111.11699	0.4
113.05991	0.7
113.09674	0.4
115.05409	1.4
115.07603	0.5
116.06213	0.5
116.99548	0.3
117.07014	5.3
119.08575	19.3
120.08911	0.7
121.06478	1.3
121.10140	10.8
123.08079	1.7
123.11690	2.2
127.07563	0.7
128.06227	3.3
129.07008	6.7
130.07813	1.8
131.08563	12.2
132.08885	0.7
133.10120	9.2
135.08060	1.3
135.11688	3.9
137.09610	0.7
137.13307	0.7
139.07547	0.8
141.06964	3.8
141.09085	0.9
142.07770	13.8
143.08560	15.3
144.09329	2.7
145.10115	20.8
146.10571	0.7
147.08025	0.9
147.11682	8.2
148.12013	0.4
149.09604	0.9
149.13239	1.3
151.07616	0.5
151.11198	0.9
153.07033	0.6
153.09050	0.7
154.07825	0.5
155.08539	6.0
156.09338	6.9
157.10120	58.8
158.10489	2.3
159.08073	1.0
159.11685	25.7
160.12071	0.9
161.09622	1.0
161.13257	5.8
162.13647	0.4
163.07520	0.6
163.11151	1.0
163.14798	0.5
165.06955	0.5
165.09120	0.6
165.12732	1.0
167.08592	1.2
167.10695	0.9
168.09317	1.8
169.10120	9.5
170.10896	1.4
171.11682	21.9
172.12204	1.6
173.09631	1.5
173.13261	6.3
174.13611	0.3
174.99223	1.3
175.11162	0.6
175.14926	0.8
177.09068	0.9
177.12732	0.8
179.08551	0.6
179.10686	0.7
179.14270	1.5
180.09329	0.4
181.10153	2.2
181.12170	1.9
182.10873	1.3
183.11679	12.7
183.13329	0.6
184.12334	1.5
185.09639	1.0
185.13243	9.6
186.13931	0.6
187.11176	1.1
187.14806	8.7
188.15189	0.4
189.12750	0.6
189.16341	0.5
191.10686	0.9
191.14374	0.4
192.09308	0.4
193.10147	0.9
193.12068	0.4
194.10974	0.6
195.11697	3.1
195.13631	0.8
196.12454	1.7
197.09560	0.7
197.13258	9.7
198.13855	1.2
199.04143	0.4
199.11259	1.5
199.14790	6.8
200.15421	0.6
201.12779	0.4
201.16391	0.8
203.10678	0.9
203.14368	0.4
205.10263	0.6
205.12230	1.4
206.10689	0.3
207.11685	2.8
207.13509	0.5
209.13260	5.8
210.13863	1.3
211.11209	1.3
211.14813	10.5
211.16862	0.5
212.15382	1.0
213.12735	1.3
213.16370	6.8
214.16867	0.5
215.10695	1.0
215.14342	0.7
217.12206	0.6
219.11778	0.5
219.13704	2.1
220.12411	0.5
221.11339	0.3
221.13252	2.0
222.13831	0.4
223.14763	1.8
225.12907	1.5
225.16367	5.5
227.14317	0.7
227.17978	2.0
228.18628	0.6
229.12259	1.5
231.13716	1.5
233.15359	1.2
235.14798	3.0
239.14241	1.5
239.17886	2.8
240.18338	0.4
243.13808	2.3
245.15352	1.7
247.16956	0.5
249.16339	2.3
253.15814	2.3
253.19487	0.8
254.20253	0.7
255.21259	0.4
257.15417	2.1
258.15982	0.5
259.16965	0.4
263.17792	0.4
265.19489	1.4
267.17441	1.7
267.21039	5.5
269.15372	0.9
271.16891	7.6
272.17264	0.6
281.18835	0.7
281.22571	0.7
284.17682	2.4
285.18469	1.9
291.21014	4.0
299.20175	0.4
309.18723	0.5
309.22061	4.7
327.08417	1.2
327.23163	100.0
328.09158	0.8
328.23483	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2318
Annotation	Promegestone
Peak:m/z	Relative Intensity
54.81718	0.3
55.01871	0.4
55.05515	2.8
57.07077	0.4
59.04984	0.3
60.94873	0.3
64.78355	0.3
67.05180	0.3
67.05504	3.4
69.07072	3.9
69.09809	0.6
69.10214	2.0
71.04997	1.4
74.86610	0.3
79.05491	1.6
81.03423	0.4
81.07063	4.5
83.04975	0.3
83.08606	1.3
85.06507	0.7
85.12665	0.3
91.05488	1.5
93.07034	2.6
95.08609	8.4
97.06544	0.4
97.10122	0.6
98.98470	4.5
99.04478	0.4
99.08036	0.5
105.07040	3.8
107.08590	2.8
109.06498	0.6
109.10155	6.5
111.08064	0.3
113.09641	0.9
115.05438	1.0
117.06982	1.3
119.08560	3.0
121.10148	2.6
123.08136	0.3
123.11671	1.5
125.09654	0.4
127.11168	0.6
128.06213	1.4
129.07011	4.5
130.07834	0.5
131.08565	2.2
133.10143	2.1
135.11684	1.2
137.09604	0.4
140.34692	0.4
141.06979	3.4
142.07780	25.2
143.08589	6.4
144.09355	0.5
145.10132	4.2
147.07977	0.3
147.11703	2.2
149.13225	0.4
153.07027	0.6
155.08565	2.9
156.09346	7.3
157.10126	100.0
158.10443	4.0
159.08029	0.6
159.10402	0.4
159.11699	5.6
160.12053	0.3
161.13287	0.8
163.07538	0.3
165.12749	0.4
167.08601	0.7
168.09357	2.6
169.10138	2.9
170.10831	1.1
171.11693	12.0
172.12024	0.5
173.09610	0.3
173.13303	1.9
174.99146	0.7
175.14908	0.4
179.08553	0.6
181.10126	1.3
182.10951	0.9
183.11694	36.5
184.12041	2.2
185.13284	3.7
186.13750	0.5
187.11134	0.4
187.14769	0.9
189.12631	0.3
189.16350	0.4
193.10167	1.0
194.10889	1.0
195.11719	3.3
196.12433	1.0
197.09666	0.5
197.13264	8.4
198.13773	0.9
199.14857	2.5
201.12756	0.5
205.10216	0.7
205.12318	0.6
207.11681	4.0
208.12335	0.4
209.13269	6.6
210.13907	0.5
211.11240	0.8
211.14816	5.2
212.15335	0.4
213.16420	1.3
219.11725	0.6
219.13783	0.8
220.12482	1.7
221.13176	1.0
223.14806	1.3
224.15315	0.3
225.12880	0.4
225.16389	5.4
226.16953	0.4
227.17874	0.7
228.62248	0.3
229.12321	0.4
234.13968	1.0
235.14796	7.6
236.15234	0.5
237.16264	0.5
239.14319	0.7
239.17976	0.9
241.19394	0.7
243.13792	0.6
248.15720	0.4
249.16403	4.4
251.17874	0.4
253.15862	3.5
253.18404	0.4
253.19559	0.4
255.13841	0.3
257.15332	1.0
265.19543	1.0
267.17459	1.9
267.21002	0.9
269.15414	0.6
271.16940	2.9
284.17880	1.5
285.18463	1.2
291.21066	4.6
309.22122	6.6
309.25662	0.5
310.22650	0.4
326.37634	0.4
327.08295	0.7
327.23199	65.5
327.26514	2.8
328.23602	5.4
328.27155	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	2.1
51.46545	2.2
53.03941	6.5
55.01864	4.3
55.05516	15.2
56.59490	2.2
57.03447	3.4
57.07080	6.4
65.03942	4.2
67.05508	33.7
69.07060	19.3
71.04986	2.4
79.05499	18.6
81.03426	5.0
81.07057	41.4
83.04987	6.1
83.08605	9.1
85.06566	4.7
91.05477	35.5
93.07047	66.6
95.04974	59.7
95.08611	55.6
96.05310	2.1
97.06531	16.6
98.23442	5.9
98.98469	87.1
103.05463	4.0
105.04505	2.1
105.07032	60.2
107.08598	43.9
109.06531	11.0
109.10152	25.1
111.08054	4.2
115.05462	5.0
116.99551	2.7
117.07027	17.9
119.06062	2.6
119.08580	58.9
119.09431	3.0
121.06507	12.6
121.10136	33.1
123.08051	8.8
123.11682	6.9
125.73797	2.3
128.06218	9.7
129.06995	14.7
130.07793	8.5
131.08569	28.8
133.06505	3.5
133.10133	40.7
135.08061	10.3
135.11690	9.4
137.09572	4.5
139.05200	2.0
141.07004	5.3
142.07784	22.3
143.08580	27.9
144.09343	4.6
145.10124	43.1
147.08058	5.5
147.11710	16.1
149.09628	5.3
149.13249	3.7
153.06993	4.1
154.07739	3.1
155.08514	12.3
156.09349	12.8
157.10133	69.1
158.10518	3.2
159.08070	6.4
159.11691	48.4
161.09613	9.9
161.13239	9.5
163.07457	2.4
163.11151	2.9
165.06998	5.2
166.07732	2.7
167.08548	6.3
168.05640	3.3
168.09314	2.7
169.10139	17.2
170.10870	5.0
171.07986	2.4
171.11678	32.7
172.12276	2.5
173.09593	7.1
173.13211	14.1
174.99211	10.5
175.11171	4.8
175.14821	17.6
179.08470	4.4
180.09351	3.0
181.06532	2.8
181.10106	6.5
182.10828	5.7
183.11693	23.4
185.09648	3.3
185.13255	16.9
187.11208	7.9
187.14774	15.0
189.16418	4.1
193.10088	3.2
194.10796	4.5
195.11667	6.8
196.12473	3.1
197.13264	16.3
198.13899	3.0
199.11342	2.5
199.14827	11.4
201.16391	3.4
207.11749	2.6
209.13248	9.2
210.14014	3.0
211.11337	3.5
211.14761	14.2
213.16389	10.0
215.14290	5.5
217.15819	4.0
221.13263	5.6
223.07527	3.2
223.14841	4.0
224.08359	3.6
225.12799	2.8
225.16400	10.0
227.17896	2.8
229.32272	2.9
235.14880	7.5
237.05568	3.5
237.16466	2.3
239.14287	3.0
240.07925	2.6
241.08745	4.6
249.16487	4.0
251.04581	2.4
251.06946	3.2
253.04933	2.7
253.08649	2.8
253.15903	4.9
254.05685	2.6
256.07220	3.5
265.19522	3.2
267.06561	2.4
267.10071	5.6
267.17429	2.5
267.21027	3.8
269.08163	3.7
271.16989	6.0
281.08005	4.7
282.05353	2.5
284.06400	2.5
284.10330	2.9
291.21008	5.1
295.09644	4.1
296.10205	3.0
297.07370	4.5
299.09097	5.2
309.22037	14.5
312.09747	3.2
313.07028	7.6
327.08362	26.7
327.12216	17.2
327.15787	4.6
327.23166	100.0
328.09262	7.4
328.23605	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2318
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
53.03944	4.4
55.01869	5.9
55.05516	26.3
57.03440	6.9
57.07067	5.9
60.21955	1.8
65.03929	3.0
67.05509	25.4
69.03426	8.1
69.07068	27.1
71.04992	14.8
71.08618	1.7
74.97522	1.7
79.05490	26.0
81.03429	2.8
81.07055	34.7
83.04984	6.3
83.08614	9.9
85.06572	3.5
91.05479	38.5
92.85824	1.7
93.07046	67.8
95.04971	39.0
95.08606	84.5
97.06547	7.7
97.10149	2.5
98.22982	12.9
98.98469	60.6
99.04478	2.2
101.06004	3.2
103.05435	2.1
105.04563	2.5
105.07032	82.5
107.08597	67.4
108.08940	2.7
109.06541	12.6
109.10159	16.4
111.08086	2.3
115.05472	6.7
115.99301	1.8
116.99509	2.6
117.07029	23.7
119.08585	38.6
121.06527	12.1
121.10143	30.0
123.08086	14.0
123.11686	9.4
128.06232	5.2
129.07002	9.4
130.07750	11.6
131.08569	16.6
133.06538	2.9
133.10143	25.0
135.08052	28.9
135.11682	29.6
135.12541	2.4
137.06009	1.9
137.09668	4.4
137.13229	2.5
142.07796	5.0
143.08562	22.2
144.09378	3.1
144.76434	1.8
145.10120	74.2
146.10495	3.3
147.11670	14.9
149.09644	11.0
149.13281	5.7
152.06284	2.4
153.07022	2.2
155.08578	6.9
156.09372	5.4
157.10130	34.2
158.10677	2.2
159.08104	3.0
159.11691	20.8
161.09671	4.9
161.13286	10.8
163.07564	1.9
163.11191	42.8
163.12495	3.2
163.14801	4.4
164.11543	2.8
165.12773	5.1
167.08635	2.8
169.10144	11.6
170.10851	2.0
171.08089	2.6
171.11699	15.7
172.66920	1.9
173.09618	4.9
173.13243	12.6
174.99239	5.1
175.11221	2.7
175.14879	6.3
177.12801	2.9
177.16545	2.0
181.10162	3.5
182.10913	2.9
183.11739	15.2
184.12474	2.1
185.13252	15.7
185.99879	2.1
187.11230	5.4
187.14806	10.1
189.16432	5.9
191.10690	2.4
191.14310	16.0
193.12289	2.9
193.15971	6.4
197.13208	9.4
199.11171	1.9
199.14854	8.3
201.12741	2.2
201.16338	2.4
203.14349	2.4
205.15865	23.9
207.11755	2.3
209.13225	3.0
211.14859	11.6
213.12668	3.6
213.16405	5.4
215.14259	2.2
215.18047	1.7
217.15935	3.9
219.13792	3.9
225.12929	2.0
225.16490	6.4
226.17171	1.9
227.17993	7.4
229.01421	2.3
235.14891	2.2
239.17976	3.5
241.19620	3.1
243.14026	2.1
247.16968	5.6
249.16345	2.0
253.15953	2.7
257.19110	2.4
267.21201	5.0
271.16995	4.8
271.20715	2.5
309.22153	5.1
309.25543	2.5
327.08441	10.3
327.12143	3.2
327.23221	100.0
327.26785	14.5
328.08194	1.9
328.23575	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62868	1.0
53.29105	0.9
59.04999	20.7
69.03429	4.0
70.06610	1.5
70.60880	2.4
73.06557	34.1
73.57053	1.0
79.05494	5.1
81.07061	2.5
83.05002	1.7
85.02902	6.4
86.09705	3.1
91.05470	1.3
92.80139	1.1
93.07048	4.2
95.06116	3.5
97.02880	1.6
98.98468	100.0
105.07045	1.5
107.04949	7.3
115.02020	1.6
116.99496	1.6
117.09132	4.6
120.08096	2.8
121.06477	1.4
121.10115	5.4
123.05560	1.6
126.01122	1.6
127.03905	1.8
131.04941	1.8
131.10706	3.4
137.05981	4.4
145.06378	1.2
149.05972	3.5
149.09752	1.6
149.11739	17.3
161.06012	1.9
163.03914	1.4
165.07091	2.5
166.08554	1.5
166.12318	1.4
167.06813	7.6
167.10637	3.2
169.06326	1.0
170.06471	1.2
174.99260	7.6
175.07539	1.3
176.98969	4.1
179.91692	1.1
191.03235	1.0
206.00316	1.2
215.99756	1.0
251.00021	1.0
252.99879	1.4
264.18018	1.4
292.17361	1.4
297.07507	1.5
308.81024	1.1
310.18378	3.7
328.05945	1.4
328.14667	2.1
328.19229	3.5
329.04285	1.2
329.11963	15.4
329.15710	10.2
329.19394	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46569	1.8
53.03948	4.0
55.05513	11.3
67.05516	20.3
69.07067	7.9
71.04990	2.4
71.30831	2.1
76.43776	2.3
79.05491	16.9
79.37402	2.0
81.03419	7.6
81.07059	17.6
83.04974	4.1
83.08613	7.6
91.05484	12.7
93.07063	18.0
94.07378	2.3
95.04971	6.0
95.08614	17.0
97.10175	3.5
98.98472	100.0
100.98899	3.2
104.72921	2.1
105.07034	17.2
106.07317	2.8
107.04938	3.9
107.08607	17.0
109.06517	3.2
109.10183	15.9
111.08156	2.6
116.99501	3.2
117.07034	4.1
119.08578	14.5
120.08921	2.4
121.06501	2.9
121.10127	11.4
121.96201	2.2
123.11776	2.8
125.09644	4.2
129.07095	3.0
131.08575	9.4
133.10129	11.2
135.08069	3.8
135.11693	5.5
137.09648	4.2
143.08585	5.0
144.11742	2.4
145.10184	11.6
147.11665	5.0
157.10182	4.2
159.11710	10.0
161.13315	5.6
170.10608	2.6
171.11658	3.8
172.13287	6.6
173.11827	3.9
173.13278	5.7
174.54898	2.2
174.99248	7.3
176.98926	2.7
185.13284	2.9
187.11165	3.7
187.14899	3.3
188.11545	4.8
189.11253	3.0
189.12755	3.6
212.15141	3.0
240.07623	2.2
267.06580	5.2
270.05298	6.5
270.08276	2.2
271.14566	3.3
275.20035	4.1
283.05963	3.6
285.07510	2.9
285.16309	3.0
298.08316	4.0
298.11536	2.7
299.05527	2.5
299.08902	4.6
313.06998	6.6
313.10425	3.2
328.09317	11.8
328.12775	8.0
328.23438	9.6
329.10104	7.5
329.18997	7.2
329.24802	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.0
55.05510	25.8
61.76773	1.0
67.05514	5.7
67.54256	1.0
69.03428	2.7
69.07079	6.2
71.31515	2.0
74.15864	1.0
79.05491	14.3
81.07056	7.5
83.04976	3.1
83.08613	15.7
83.60796	0.9
85.06551	1.6
91.05484	8.5
93.07035	4.5
95.05013	1.3
95.08611	3.7
97.10171	31.2
97.10773	2.4
98.98463	100.0
100.98887	1.5
105.07043	8.0
107.08590	31.8
116.99502	3.1
117.06982	1.4
119.04918	1.3
119.08558	2.5
121.10165	1.6
125.09624	26.8
131.08566	1.4
133.10115	3.9
135.08063	2.1
135.11630	1.4
137.05951	3.6
138.06306	1.7
143.08592	1.9
145.10115	4.4
147.11705	2.5
149.09656	1.3
151.07538	2.6
152.07912	3.3
153.09131	2.1
159.11626	2.1
171.10146	3.4
174.99222	9.9
176.98979	4.5
181.12209	1.1
189.11208	38.7
189.48051	1.3
190.11537	1.3
211.07513	2.4
239.17932	1.3
242.09439	1.5
257.19049	2.2
267.06473	1.8
269.08270	1.1
270.08691	1.3
275.20068	22.9
276.20352	1.5
293.21072	1.6
297.07428	1.5
313.06967	3.3
313.10287	1.9
328.09244	9.1
328.12946	4.3
329.10104	3.2
329.13635	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.7
56.05048	3.8
67.05511	14.6
69.07070	10.0
78.16012	3.2
79.05511	11.5
80.57475	3.4
81.07052	20.5
91.05521	5.4
93.07049	9.2
95.08614	10.0
97.06553	4.2
98.09693	15.7
98.22522	6.1
98.97487	3.8
98.98472	100.0
105.07044	9.7
107.04942	3.9
107.08632	6.2
116.99536	4.4
119.08568	6.4
121.10191	4.4
133.10153	6.7
135.11664	6.6
145.10097	4.4
147.11670	3.6
159.11757	4.4
169.31572	3.3
172.54842	3.4
174.99258	5.9
181.12288	5.8
215.08585	4.3
229.83597	5.2
239.06958	6.7
267.06610	9.2
275.20132	8.9
286.06296	6.4
290.18646	3.8
297.07645	8.9
298.38477	3.4
300.07651	8.8
313.07248	5.5
314.05426	4.7
328.06802	16.4
328.16119	7.0
329.07538	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.102
Annotation	Angulifolide
Peak:m/z	Relative Intensity
55.17401	0.6
56.41437	0.7
69.17915	6.0
89.86085	0.7
98.97850	1.3
98.98470	23.0
98.99117	1.2
115.05450	0.8
116.06223	0.8
116.99489	0.7
121.10124	0.9
127.66640	0.8
129.03305	0.7
129.06973	1.0
140.06192	3.0
141.06946	1.0
152.06204	4.7
153.07016	4.8
154.07816	0.8
155.04913	1.2
155.08540	1.9
157.06496	1.2
165.07002	8.0
168.05705	21.0
169.06375	2.4
170.07306	0.8
171.08069	0.8
174.99187	1.8
176.98929	1.1
179.04817	0.8
180.05659	1.1
181.06479	5.7
181.29668	0.7
182.07248	1.9
183.08054	22.5
184.08453	1.5
185.05991	4.2
187.11055	0.7
193.06508	2.6
193.22217	0.7
194.03633	1.3
195.04347	1.7
196.05193	24.0
197.05775	3.2
198.06714	3.1
199.07643	0.9
207.04416	1.1
208.05215	1.3
209.05951	6.3
210.06738	3.1
211.07542	78.0
212.04663	2.8
212.07822	4.9
213.05446	5.4
213.08974	0.9
215.07034	1.5
221.05954	4.4
223.03839	2.4
223.07507	1.1
224.04680	15.3
225.05411	5.6
226.06238	13.2
227.03485	1.2
227.06868	2.7
228.04210	1.3
228.07732	3.0
237.05502	4.9
238.06235	5.2
239.07027	57.1
240.07486	4.4
241.05077	4.0
241.08661	3.9
242.05637	2.1
243.06520	1.6
243.10033	0.9
251.03346	1.5
252.04202	9.2
253.04874	3.6
253.08595	1.2
254.05759	12.6
255.06375	2.6
256.03494	1.0
256.07303	5.0
265.04916	0.8
266.05698	3.2
267.06525	100.0
268.06979	6.1
269.04453	2.7
269.08060	13.5
270.05347	0.9
270.08530	1.6
271.05945	5.3
271.09634	2.3
282.05191	2.6
283.06018	4.1
284.06659	2.8
286.07971	1.0
287.05472	1.5
297.07578	74.2
298.08032	7.9
299.05499	6.0
299.09106	11.3
300.09436	1.3
314.07813	17.7
329.10153	47.9
329.21918	1.2
330.10510	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1021
Annotation	Angulifolide
Peak:m/z	Relative Intensity
51.18771	0.8
51.65053	0.8
55.05504	0.9
60.78310	0.7
67.05493	1.1
69.07065	1.2
69.54003	1.9
69.54427	2.8
75.22948	0.7
79.05474	1.4
79.31387	0.7
81.07044	1.4
90.16274	0.7
90.98032	0.6
91.05458	0.7
93.07044	1.7
94.81367	0.7
95.08588	2.2
95.32002	0.7
96.15910	0.7
98.98466	41.3
105.07014	1.7
107.08572	1.8
116.06226	0.9
116.99450	0.7
119.08542	1.0
121.10118	1.0
129.07021	1.1
131.08519	1.2
133.10168	0.8
140.06172	1.1
141.06960	1.9
143.08527	1.2
145.10106	0.9
152.06175	3.3
153.06981	5.9
155.08536	1.8
157.06445	1.0
159.11751	1.1
165.06989	6.7
167.04935	0.9
168.05708	18.5
169.06400	1.8
171.07982	0.9
174.99205	2.9
176.98943	1.4
180.05655	1.1
181.06464	5.0
182.07179	2.5
183.08054	20.6
184.08409	1.1
185.02316	1.7
185.05974	5.8
193.06458	3.3
194.03712	2.0
195.04417	1.7
195.07974	1.0
196.05205	19.8
197.05872	4.0
198.06686	2.8
199.07559	1.9
208.05177	1.7
209.05916	4.8
210.06743	4.3
211.07533	70.7
212.04703	1.9
212.07982	4.6
213.05415	4.7
213.08940	1.0
215.06937	1.3
221.06055	3.8
223.03830	1.6
223.07579	1.1
224.04692	13.8
225.05470	6.1
225.09032	1.5
226.06258	10.7
227.03276	1.0
227.06874	3.0
228.04138	1.8
228.07750	2.7
237.05437	3.0
237.91222	0.8
238.06235	5.5
239.07019	52.2
240.07504	4.6
241.05080	3.9
241.08493	3.7
242.05597	2.2
243.06523	1.5
251.03419	1.6
252.04172	8.4
253.04919	5.2
253.08565	2.6
254.05748	11.0
255.06363	2.6
256.03729	1.4
256.07312	4.2
266.05838	3.7
267.06516	100.0
268.07074	11.7
269.04504	2.8
269.08035	13.6
270.05176	2.0
270.08282	1.3
271.06003	9.9
271.09659	3.2
271.14734	1.1
281.04428	0.9
282.05103	2.9
283.05966	3.8
283.09106	0.8
284.06659	2.9
285.03711	2.6
285.07108	1.5
287.05411	2.0
296.06863	2.2
297.07565	82.1
298.08035	7.7
299.05524	10.0
299.09137	16.3
300.05875	3.2
311.09222	1.8
314.04294	0.8
314.07773	20.5
315.08170	1.6
329.10144	58.4
329.18811	3.2
329.24716	3.4
330.10266	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1019
Annotation	Angulifolide
Peak:m/z	Relative Intensity
50.36748	0.9
55.05512	1.2
57.03424	1.2
66.53965	0.9
67.05497	1.7
69.67131	3.0
79.05505	1.6
79.64438	1.1
79.83461	1.0
81.07062	1.6
83.04967	1.6
87.71820	0.8
91.05455	1.7
93.07032	2.2
95.08615	2.8
98.98460	33.4
101.06006	9.9
105.07005	2.5
107.08609	1.4
115.05474	1.2
115.24211	0.8
119.08575	2.6
121.10146	1.4
126.04787	0.9
128.06212	1.3
129.06984	2.0
133.10129	2.1
135.08076	1.3
139.05533	1.1
140.06190	1.9
141.06955	2.1
143.08548	2.1
145.10078	2.0
152.06238	4.7
153.06989	6.2
154.07745	2.4
155.04900	1.7
155.08533	4.5
157.06509	1.4
159.11641	1.3
165.06979	15.2
166.07611	1.5
167.08551	1.8
168.05687	18.3
169.06467	3.6
171.08014	1.5
171.11699	1.4
174.99234	3.6
179.08498	1.2
180.05606	1.9
181.06494	6.6
182.07191	4.2
183.04460	1.6
183.08038	25.4
184.05139	1.4
184.08342	1.3
185.02248	1.1
185.05855	4.6
185.09567	1.2
187.11278	0.9
189.12782	2.6
193.06444	5.9
194.03555	1.3
194.07298	0.9
195.04367	2.5
195.08073	2.4
196.05185	24.7
197.05934	7.2
197.09622	1.7
198.06705	3.4
199.03870	2.1
199.07535	2.6
199.14738	1.1
207.04401	1.0
208.05331	2.2
209.05991	6.5
210.06664	6.1
211.07523	70.0
212.04631	2.5
212.07962	4.2
213.05434	6.8
213.09123	1.3
214.06035	1.4
214.84108	1.0
215.03445	1.2
215.07057	2.3
217.04890	1.1
221.05972	10.2
222.03110	1.2
222.06581	1.3
223.03947	2.9
223.07559	5.0
224.04659	15.2
225.05458	8.6
225.09010	5.8
226.06226	16.3
227.03453	2.0
227.06889	5.1
228.04118	3.2
228.07758	5.6
229.04863	1.9
229.08450	1.3
235.07530	1.4
236.04752	1.4
237.05489	4.2
238.06236	8.0
239.07010	62.7
240.04179	1.7
240.07605	7.3
241.04942	7.6
241.08585	6.0
242.05699	3.6
243.06436	3.2
243.10118	2.4
249.05440	1.9
250.06131	1.1
251.03355	1.7
251.07042	8.0
252.04102	9.1
253.05034	9.2
253.08574	7.0
254.05739	14.3
255.03802	0.8
255.06374	5.1
256.03607	2.1
256.07294	8.6
257.04333	2.0
257.07968	1.9
265.04803	1.3
265.08557	1.1
266.05692	5.1
267.06506	96.9
268.07062	15.7
269.04434	5.2
269.08069	21.5
270.05142	3.8
270.08063	2.1
271.05981	12.8
271.09631	14.7
272.03281	1.9
279.06467	8.7
281.04431	3.9
281.08093	3.2
282.05240	4.7
283.05994	3.5
283.09628	8.4
284.03757	1.3
284.06744	5.1
285.03809	6.8
285.07486	3.0
286.07932	1.7
287.05481	5.8
293.08136	1.6
296.06750	3.3
297.07553	97.0
298.08038	11.5
299.05518	11.1
299.09100	29.1
300.05978	11.9
300.09506	2.2
301.10516	1.0
311.09161	9.9
311.20117	1.0
312.09747	1.8
314.07739	23.3
315.08078	1.8
329.10129	100.0
329.24884	1.5
330.10504	8.4
330.34174	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01868	0.3
57.03434	0.2
61.01156	0.2
65.03944	4.5
67.05508	1.8
68.99799	0.1
69.03429	1.0
69.19135	0.8
69.19541	0.3
72.04510	0.4
78.03775	0.2
79.05475	0.3
82.00559	0.3
82.04200	1.8
85.02422	0.2
85.02907	3.0
93.03400	1.1
95.04448	0.1
95.04954	0.8
97.02886	0.3
97.06528	1.7
98.22604	0.3
98.98470	4.1
99.04475	0.1
99.33997	0.1
101.06031	0.2
102.03801	0.8
105.04613	0.2
105.07052	0.2
107.04958	0.3
107.08575	0.2
108.02098	0.9
110.03662	2.5
111.04475	0.9
114.03082	0.2
114.03768	0.5
121.02850	0.2
123.00774	0.4
125.05986	1.6
131.04900	0.2
131.06363	0.3
132.04784	0.8
137.02364	0.2
137.05986	0.5
138.03149	1.5
139.03915	0.2
142.02621	2.4
149.07445	1.8
151.03935	0.4
153.05472	2.4
155.07069	0.2
163.07527	0.2
166.02637	0.2
167.07068	0.2
171.06554	2.9
174.99203	0.4
179.36674	0.2
181.04959	100.0
182.05313	3.6
183.02142	0.1
195.08041	0.3
198.07701	0.2
207.08003	0.1
214.17233	0.2
219.08105	0.3
219.83737	0.1
237.09102	0.2
251.10651	0.2
252.08676	11.3
252.42363	0.1
253.08844	0.8
255.06563	0.2
255.10034	0.1
268.07150	0.2
270.08786	0.2
279.10220	0.2
283.09583	0.5
283.13049	0.3
311.12961	0.3
329.06555	0.7
329.11548	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1231
Annotation	Androsin
Peak:m/z	Relative Intensity
50.37508	0.8
53.03952	1.7
60.92129	0.8
71.23425	0.9
71.23754	1.3
79.05489	28.6
85.02904	2.7
90.43295	0.8
98.98468	9.8
103.05425	4.0
105.07024	1.0
107.04954	100.0
108.05282	2.6
131.04930	20.6
136.07555	0.9
149.05977	32.4
161.68062	0.7
167.10805	0.9
169.28036	0.8
214.80991	0.8
353.49011	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.05497	0.8
57.03432	0.6
61.02927	0.7
67.91225	0.4
68.65533	0.3
69.03420	1.0
69.77925	1.4
69.78317	0.7
77.03922	0.6
79.05493	15.9
81.03410	1.3
85.02891	4.7
88.68739	0.4
91.05487	1.0
95.04983	0.7
97.02895	1.7
98.98473	4.5
103.05477	2.3
105.07051	1.1
105.11595	0.3
107.04952	100.0
108.05283	2.5
117.07052	0.6
119.04923	0.3
121.06467	0.5
127.03905	0.8
131.03996	0.7
131.04932	11.0
132.05298	0.6
136.07579	0.4
137.05963	1.6
141.06967	0.5
144.05696	1.0
145.05035	0.6
145.06476	2.8
146.06738	0.4
147.04465	0.4
149.05975	17.3
149.09625	7.6
150.06326	0.5
156.43103	0.4
157.06406	1.0
169.06535	0.5
173.05977	4.6
178.72433	0.3
182.57887	0.3
185.09581	0.9
197.06052	0.4
197.09651	0.8
203.07048	0.7
215.07072	0.8
215.10657	1.3
233.07994	1.7
245.11847	0.4
302.92142	0.4
329.15591	1.5
349.45459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82207	0.4
53.03944	1.5
55.01854	0.5
55.05503	0.7
61.02926	0.7
69.03431	1.1
69.77341	1.6
77.03937	0.5
79.05492	21.5
81.03413	0.8
83.94095	0.4
85.02909	4.5
88.97502	0.4
91.05475	1.8
93.07028	1.1
95.04972	1.1
97.02895	1.3
98.98468	38.9
102.04703	0.5
103.05463	3.1
105.04541	0.4
105.07033	1.7
107.04955	100.0
108.05283	2.4
109.02872	0.7
109.06547	0.8
115.05501	0.5
116.99510	0.9
119.04955	1.2
120.08141	0.6
121.06526	0.6
121.10117	1.0
122.03624	0.5
123.04382	0.4
127.03949	0.9
131.04930	13.5
131.76965	0.5
133.02859	0.6
136.07571	4.5
137.05971	4.1
144.05733	0.6
145.04918	0.6
145.06482	2.0
147.04378	0.5
149.05984	22.0
149.09631	4.8
150.06303	0.8
151.03903	0.7
157.06503	0.6
161.05984	0.6
173.05997	3.1
174.99231	2.8
175.07475	0.9
176.98973	1.5
177.05467	1.5
185.09583	0.5
215.07178	0.7
215.10651	0.7
233.11745	0.5
297.07660	1.2
299.12744	1.2
329.10104	0.9
329.15643	2.0
349.28531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1382
Annotation	Piperphilippinin V
Peak:m/z	Relative Intensity
50.70716	0.6
53.03945	2.4
54.23367	0.6
55.01867	2.1
57.03448	0.8
61.02919	0.7
65.03947	2.7
67.05511	1.2
69.03437	3.0
69.07068	0.8
71.30590	1.1
77.03947	1.1
79.05498	5.8
81.03416	1.1
81.07033	1.3
83.04969	0.9
85.02908	10.5
88.50665	0.7
89.03922	2.0
91.05479	8.9
92.02624	2.1
93.03436	1.6
93.07018	3.3
93.83885	0.6
94.04186	1.9
95.04961	6.4
97.02925	2.5
98.98467	100.0
100.98904	1.0
102.04684	10.5
103.05465	8.3
105.03390	0.7
105.04517	1.1
105.07041	3.2
106.04156	1.5
107.04951	7.0
109.02907	2.0
109.06536	2.3
111.04425	1.8
115.05456	9.7
116.99535	2.3
117.03365	1.2
117.07016	2.8
119.04941	3.4
121.02880	3.4
121.06502	12.0
121.10145	1.9
122.03670	5.5
123.04468	1.6
124.05130	0.9
125.05991	1.0
127.03933	1.8
130.04146	8.7
131.04950	6.1
133.02850	10.3
133.06490	2.8
134.03673	1.1
135.04417	9.4
135.08031	1.1
137.05977	58.9
138.06342	1.3
143.04944	8.2
145.04947	1.5
145.06493	2.7
146.03651	1.6
147.04411	11.9
147.08040	2.6
149.05980	15.6
150.06761	1.0
151.03929	4.7
151.07536	2.2
152.04662	0.8
152.06270	1.3
153.05504	0.9
153.07011	2.2
159.04433	0.7
160.05223	2.9
161.05971	12.3
162.06764	23.7
163.03917	14.6
163.07516	6.2
164.04538	0.7
165.05486	7.8
165.07005	6.4
166.05890	0.7
166.07503	1.2
167.03418	2.1
167.06862	4.3
167.08478	1.3
167.10683	2.7
168.04202	1.0
168.18715	0.6
169.06567	0.8
174.99237	7.0
175.07552	21.1
176.08044	0.6
176.98949	4.2
177.05489	13.8
177.06984	1.2
177.09055	2.2
178.07745	3.9
179.08549	7.5
180.05765	1.0
181.06493	4.9
182.07266	3.6
187.07622	1.2
189.06955	1.7
190.07684	1.5
191.03409	2.8
191.08566	1.9
193.04964	1.5
193.06499	4.2
194.07257	1.4
195.07988	2.4
196.08762	1.9
197.06033	1.7
197.09625	1.6
202.07881	0.9
205.04880	3.3
205.06714	0.8
205.08572	1.1
206.07156	1.4
207.08028	8.8
208.05106	1.9
208.08701	1.2
209.06020	3.3
210.06718	5.2
211.07512	2.4
213.05367	0.9
213.09198	0.7
218.07326	1.1
219.08066	2.4
221.05960	5.9
221.09613	1.1
222.06660	1.3
223.07378	3.3
224.08240	4.1
225.05515	2.0
225.09079	6.3
226.06052	0.8
227.07039	1.9
233.05629	0.7
234.06926	1.0
235.07599	5.4
236.08302	1.9
237.05515	2.1
238.06210	2.6
238.09943	1.0
239.06938	1.2
239.10658	10.3
240.07816	1.7
241.08495	1.0
247.07628	0.7
249.08968	2.1
251.06992	2.6
251.10727	1.8
252.07788	3.0
252.99702	1.0
253.08528	6.2
254.05704	1.0
255.06549	1.5
255.10106	1.5
260.11414	0.9
267.10153	12.2
268.07236	1.3
268.10580	1.2
269.08093	3.5
269.11273	1.1
270.08740	2.0
279.06616	1.0
279.10132	4.2
281.11716	2.2
283.09808	1.2
284.10349	1.0
285.11194	8.1
296.06973	0.9
297.07568	31.1
298.07980	1.9
298.11844	1.6
299.09723	1.5
299.12762	44.7
300.13049	2.8
311.05899	1.1
311.09113	4.8
311.12817	5.8
329.10129	35.1
329.13708	4.2
329.19284	2.4
330.10443	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1382
Annotation	Piperphilippinin V
Peak:m/z	Relative Intensity
53.03943	1.4
55.01871	2.1
60.84870	0.7
65.03936	1.5
67.05489	1.0
69.03425	1.2
71.12500	1.4
79.05494	5.2
81.03399	1.2
81.07059	3.2
85.02914	2.4
87.19089	0.8
89.03957	0.8
91.05481	8.3
92.85708	0.6
93.07030	6.4
94.04176	1.5
95.04967	2.6
97.02915	1.0
98.98464	100.0
100.98873	0.8
103.05466	3.5
105.07038	3.2
107.04961	6.1
109.06511	3.3
109.46106	0.8
111.04456	1.1
115.05457	16.8
116.99524	2.6
117.07006	1.8
119.04926	2.3
119.08593	1.3
121.02869	0.8
121.06500	3.7
121.10119	6.9
122.03664	5.5
123.04417	2.6
125.05994	1.7
129.07007	2.0
131.04919	2.2
131.08521	1.4
132.05734	0.9
133.06441	1.2
135.03487	0.8
135.08025	1.3
137.02338	0.9
137.05974	50.7
138.06329	1.1
138.58530	0.8
143.04913	16.1
144.05730	1.3
145.06471	2.8
146.03656	1.3
147.04393	1.3
147.08066	2.7
149.05994	6.4
149.09631	1.7
151.03911	10.5
151.05000	1.4
151.07533	2.3
152.06145	0.8
153.05591	1.1
153.06970	1.4
154.07768	0.9
155.08513	1.0
157.06505	1.1
159.08046	0.7
160.05176	5.4
161.06001	6.1
162.06778	0.7
163.07567	3.7
165.07024	7.7
166.07765	1.0
167.07047	2.4
167.08522	2.0
167.10674	1.8
167.17796	0.9
169.06387	0.9
173.05959	0.7
174.06825	0.9
174.99225	4.8
175.07545	33.1
176.98965	2.6
177.05467	1.0
177.08998	1.0
178.07756	7.7
179.08525	13.2
180.09148	0.7
181.06465	4.6
181.08638	1.6
182.07300	3.7
183.07895	0.8
187.07509	1.4
189.06972	2.1
190.07799	1.6
191.08583	3.2
193.06467	4.5
194.07211	1.5
195.08035	4.0
196.08827	2.7
197.05992	1.3
197.09641	1.8
199.07542	1.9
206.07372	1.6
207.08037	13.5
208.08751	2.4
209.05971	3.0
209.09535	0.8
210.06708	5.0
211.07520	3.4
218.07347	1.6
219.08078	3.6
220.08719	1.3
221.05957	8.1
221.09537	1.3
222.06595	1.7
223.07594	3.7
223.11214	1.8
224.08313	5.9
225.05493	1.2
225.09114	7.1
227.07019	4.8
233.05899	0.9
234.06691	1.6
235.07510	8.5
236.08267	3.1
237.05376	0.8
237.09151	1.6
238.06306	2.5
239.07059	2.0
239.10652	13.5
240.07762	3.3
241.08611	1.9
247.07466	1.0
249.09111	2.2
251.07063	2.8
251.10648	5.7
252.07758	4.0
252.99802	0.9
253.08598	9.3
254.09451	1.3
255.06541	3.4
255.10135	1.6
267.10147	18.1
268.07346	5.2
268.10724	2.2
269.08148	3.3
269.11743	1.2
270.08936	5.2
279.10010	4.6
281.11728	2.3
283.09708	11.6
283.13309	7.6
284.10297	4.0
285.11166	8.3
296.10577	1.2
297.11307	0.9
298.11829	1.9
299.12756	65.5
300.13037	3.9
301.14398	1.6
311.12766	7.7
329.06860	1.7
329.10107	1.5
329.13599	14.4
330.14346	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
55.01867	2.7
55.05503	1.7
57.03444	3.0
61.02918	3.6
61.58712	1.1
65.03933	2.6
66.49394	1.1
67.05510	9.2
69.03083	2.3
69.03432	23.1
69.07080	1.9
69.38872	4.1
69.39281	2.5
71.04982	2.0
72.08153	4.7
73.02902	2.4
79.05487	11.9
81.03417	10.9
81.07043	7.6
83.04965	3.5
85.02914	20.5
87.04434	1.3
88.12144	1.1
90.60702	1.1
91.03956	2.3
91.05483	10.2
93.03403	2.3
93.07040	17.0
95.04960	5.4
95.08618	3.7
97.02895	12.3
97.06525	2.2
98.98470	100.0
99.04459	5.3
102.04703	1.8
103.03947	3.0
103.05478	3.9
105.07032	9.1
107.04960	12.1
107.08630	5.6
109.02924	2.6
109.06515	8.6
111.04433	14.1
115.05418	1.6
116.99503	2.2
117.06997	4.0
119.04957	2.9
119.08580	3.4
121.06506	7.9
121.10139	14.9
123.04430	3.5
125.05981	4.8
127.03941	7.6
129.07045	1.6
130.04175	2.2
131.04913	4.1
131.08554	3.8
133.06500	7.1
133.10152	1.5
135.04416	2.6
137.05975	13.3
139.03923	1.4
139.11127	1.4
145.04984	5.9
145.06509	8.7
145.10124	1.8
147.04420	5.0
147.08058	4.4
149.05989	8.3
149.09602	14.3
151.03880	2.7
151.07533	2.8
153.07033	1.5
157.06635	1.7
159.08099	2.2
161.06004	7.9
161.09583	2.5
162.06772	8.0
163.03941	2.2
163.07462	2.9
165.05531	1.9
165.06874	1.4
167.07031	1.3
167.10683	44.6
168.11018	2.0
171.08054	1.4
171.14967	1.7
174.99231	6.7
175.07509	2.4
176.98936	3.9
177.05489	7.4
177.09135	2.3
181.06474	1.3
189.09123	2.4
191.07120	1.5
191.10612	1.2
213.03418	1.4
217.08597	1.9
233.11739	2.6
245.11671	1.3
251.07182	3.0
275.12946	1.4
283.09613	2.6
297.07581	6.7
297.11185	4.2
311.09344	2.2
329.09976	4.0
329.16125	16.5
329.19391	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1593
Annotation	Betuloside
Peak:m/z	Relative Intensity
53.03949	3.7
65.03941	3.7
65.38858	2.1
67.05498	18.4
67.48129	2.3
69.03419	6.6
70.32149	4.8
70.32481	5.2
79.05494	34.7
81.07065	13.1
82.64077	2.2
83.04961	8.9
84.13226	2.3
85.02905	14.1
91.05469	3.9
93.03389	4.3
93.06463	3.4
93.07037	28.9
95.08598	7.2
97.02908	3.3
97.06556	3.1
98.98469	84.0
98.99118	5.1
103.05487	3.2
105.07028	4.9
107.04953	95.6
107.08595	6.2
111.04449	27.4
121.10152	33.3
125.05977	9.4
125.63108	2.9
125.83689	2.4
126.00986	3.4
127.03954	2.6
129.62901	2.3
131.04930	13.7
134.08461	2.1
137.05975	4.8
149.05981	26.3
149.09610	31.8
167.10684	100.0
168.11064	4.2
174.99223	7.9
176.98932	3.5
203.03653	2.5
252.99570	2.3
329.04758	3.2
329.15717	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1596
Annotation	Betuloside
Peak:m/z	Relative Intensity
51.99258	0.4
53.03941	1.2
55.01866	0.7
55.05519	2.1
57.03430	0.4
61.02926	0.6
69.03437	2.3
70.49483	0.9
73.02922	0.6
79.05493	5.2
81.03426	1.2
81.07063	1.2
85.02421	0.7
85.02908	8.3
91.03983	0.5
91.05469	1.2
93.07035	1.3
95.04951	1.0
97.02893	2.0
98.98470	13.8
99.04417	0.5
103.03969	0.4
103.05441	0.9
105.04488	0.6
105.06995	0.5
107.04959	100.0
108.05286	2.3
109.02888	0.9
115.02019	0.6
115.05468	1.0
117.07012	0.8
119.04998	0.6
121.06509	1.1
121.10137	0.8
123.04391	0.7
126.01089	0.5
127.03917	1.3
129.07057	0.6
131.04929	4.9
137.05994	2.5
141.06934	0.7
144.05698	2.0
145.04971	0.7
145.06505	4.2
147.04408	0.5
149.05995	4.8
149.09636	12.0
150.09995	0.5
157.06572	1.9
157.07698	0.4
161.05923	0.5
161.09613	0.6
167.03685	0.3
167.10796	0.6
168.10182	0.7
169.06511	1.0
169.10120	0.6
171.08015	0.4
173.05977	7.5
173.09723	0.4
174.06491	0.5
174.99239	1.0
175.07509	0.4
176.98993	0.5
177.05487	1.4
185.06058	0.6
185.09653	1.7
187.07588	0.9
191.10605	0.5
197.06075	0.4
197.09686	1.5
201.26085	0.3
203.07040	1.2
207.10078	0.5
211.11249	0.6
215.07135	1.3
215.10643	2.3
230.12817	0.4
233.08112	1.8
233.11859	1.0
238.64996	0.4
239.10773	0.5
257.11478	0.5
329.05475	0.6
329.15891	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1593
Annotation	Thymoquinol 2-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.36888	2.0
53.03946	4.1
54.83817	2.2
55.01860	2.3
55.05505	2.1
57.03438	2.6
60.25228	2.5
61.02908	3.1
67.05489	12.8
69.03421	12.3
69.21620	12.3
69.22028	3.8
71.04987	2.1
71.48178	2.1
71.88286	1.9
79.05489	18.0
79.37943	2.0
81.03402	2.2
81.07075	13.2
83.04962	4.5
85.02908	21.4
91.05495	6.4
93.07042	31.8
95.08622	8.2
97.02873	7.2
97.06510	2.6
98.98471	100.0
98.99120	5.0
99.04487	2.1
103.05445	3.7
105.07032	8.6
107.04961	3.9
107.08588	8.8
107.61858	2.2
111.04455	15.3
111.08086	3.3
121.06509	2.9
121.10144	51.7
122.03682	2.0
122.10478	2.5
123.04452	3.9
123.11680	2.7
125.05972	8.4
127.03917	6.1
130.39096	2.2
131.08594	2.4
136.03944	20.0
136.07578	3.3
137.05980	9.4
139.11198	5.6
145.04955	4.2
149.09616	16.1
151.03896	8.7
152.07100	6.6
159.08083	2.0
162.05547	14.1
164.58101	2.2
167.09293	5.0
167.10681	89.4
168.06573	7.4
168.11082	2.2
174.99254	6.5
183.08057	2.4
207.08109	2.7
219.08025	3.1
223.07591	2.7
223.11069	3.5
240.07713	3.3
251.10776	2.6
253.08577	2.8
268.07437	4.3
269.08292	2.4
270.08881	5.0
283.09708	14.9
283.13187	8.7
299.12875	2.5
311.12793	9.5
329.06546	3.9
329.15964	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.6
55.01874	1.2
55.05509	1.2
57.03430	1.2
67.05508	1.6
69.03436	3.0
71.29966	1.2
73.41624	0.9
75.04482	1.4
79.05489	4.8
79.32903	0.9
81.07037	5.1
85.02910	5.3
91.05495	8.7
93.07045	19.3
95.04980	2.9
95.08615	2.6
97.02946	1.2
97.06554	1.2
98.98466	100.0
99.97380	0.9
100.98882	1.7
103.05478	2.4
105.04559	1.1
105.07016	5.0
107.04962	4.1
107.08577	2.1
109.06522	1.2
111.04430	1.7
111.08092	2.6
115.05437	6.0
116.99509	2.1
119.08611	1.3
121.06525	3.4
121.10138	28.2
122.03654	2.6
123.04459	2.3
123.11716	1.5
125.06049	1.4
127.03892	1.2
129.07008	2.2
131.04936	2.3
137.05978	25.8
139.11177	2.9
143.04924	6.2
145.06450	1.9
147.04361	1.3
147.08060	2.0
149.05988	3.2
149.09615	3.5
151.03911	14.7
151.05049	1.7
151.07574	1.0
153.05452	1.5
153.07037	1.1
155.05984	1.0
157.06412	1.1
159.08078	1.5
160.05190	1.9
161.06023	2.7
163.07552	2.2
165.06975	4.4
165.75493	1.1
167.07109	1.8
167.10663	7.3
174.99211	7.6
175.07523	15.1
176.98961	2.1
177.05472	2.1
178.07806	3.3
179.08578	4.7
181.06459	2.0
182.07217	2.2
187.07570	1.8
190.07816	1.3
191.08559	2.6
193.06503	2.0
195.08104	3.2
197.05988	1.4
197.09529	1.8
205.06528	1.5
206.07379	1.3
207.08011	5.6
208.05142	1.1
208.08824	3.3
209.09651	1.6
210.06792	3.2
211.07480	1.9
218.07457	1.2
219.08047	3.0
221.06058	3.9
221.09512	1.4
222.06763	1.3
223.07579	3.7
223.11156	4.0
224.08316	4.0
225.05714	1.4
225.09123	5.4
227.07011	4.4
227.10677	1.2
234.06557	1.1
235.07584	3.7
236.08356	2.1
237.05562	1.2
237.09169	3.5
238.06314	1.6
239.07095	1.3
239.10667	7.0
240.07828	5.5
241.08418	2.1
247.07693	1.0
250.09840	1.0
251.06952	3.2
251.10666	5.8
252.07704	1.3
253.08563	6.7
255.06551	2.8
265.08627	1.3
267.10153	7.3
268.07324	11.9
268.10501	1.7
269.08060	3.4
270.08850	7.4
279.06815	1.0
279.10150	5.8
281.08185	1.1
281.11533	1.2
283.09689	33.9
283.13290	18.3
284.10077	2.8
285.11249	3.0
286.11523	1.1
296.10376	2.0
297.11115	1.5
298.11826	1.2
299.12756	28.8
300.13226	2.2
301.14441	3.0
311.09326	2.0
311.12729	19.2
312.13245	1.4
329.06808	2.1
329.10098	1.0
329.13953	19.2
330.14093	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41760	1.1
53.03940	1.3
57.03432	1.5
67.05497	1.7
69.03423	3.6
71.29798	1.5
75.04504	1.1
78.33312	1.0
79.05492	3.3
79.61801	1.1
81.07070	3.3
85.02898	4.6
87.04460	1.3
91.05501	4.2
93.07046	14.2
95.04952	1.3
95.08608	1.9
98.98467	100.0
99.04453	1.2
103.05489	2.1
105.07037	3.1
107.04942	6.0
107.08588	1.1
111.04449	1.0
111.08066	1.3
115.05489	1.7
116.99495	1.4
117.07033	1.0
119.04932	1.5
121.06554	1.4
121.10149	20.5
122.03635	2.1
123.04444	1.6
125.05978	1.6
127.03960	1.0
131.04918	3.0
131.08536	1.5
137.05988	16.1
138.06351	1.0
139.11169	3.4
145.06523	1.9
149.05988	1.5
149.09569	2.1
151.03934	1.3
151.07549	1.2
161.06004	1.5
162.06860	1.2
163.07576	1.4
165.07008	2.3
167.10693	7.1
174.99246	6.8
175.07549	1.9
176.98949	2.8
177.05515	1.3
177.09248	1.2
179.08618	1.6
181.06372	1.4
191.08588	2.3
199.07571	1.2
205.08467	1.3
207.08046	2.4
209.09650	1.9
219.08043	1.7
221.06055	1.2
221.09666	2.5
223.07480	1.1
224.08340	1.4
225.09068	2.4
249.09119	3.4
252.07774	1.2
253.08607	1.9
267.10236	7.3
268.07355	2.3
269.11752	1.5
281.11728	3.7
283.09766	2.4
283.13162	1.5
285.11206	1.3
299.12646	2.6
308.12631	1.2
311.12927	5.5
311.23166	1.3
329.10223	1.4
329.15628	3.5
329.19180	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
55.01867	2.7
55.05503	1.7
57.03444	3.0
61.02918	3.6
61.58712	1.1
65.03933	2.6
66.49394	1.1
67.05510	9.2
69.03083	2.3
69.03432	23.1
69.07080	1.9
69.38872	4.1
69.39281	2.5
71.04982	2.0
72.08153	4.7
73.02902	2.4
79.05487	11.9
81.03417	10.9
81.07043	7.6
83.04965	3.5
85.02914	20.5
87.04434	1.3
88.12144	1.1
90.60702	1.1
91.03956	2.3
91.05483	10.2
93.03403	2.3
93.07040	17.0
95.04960	5.4
95.08618	3.7
97.02895	12.3
97.06525	2.2
98.98470	100.0
99.04459	5.3
102.04703	1.8
103.03947	3.0
103.05478	3.9
105.07032	9.1
107.04960	12.1
107.08630	5.6
109.02924	2.6
109.06515	8.6
111.04433	14.1
115.05418	1.6
116.99503	2.2
117.06997	4.0
119.04957	2.9
119.08580	3.4
121.06506	7.9
121.10139	14.9
123.04430	3.5
125.05981	4.8
127.03941	7.6
129.07045	1.6
130.04175	2.2
131.04913	4.1
131.08554	3.8
133.06500	7.1
133.10152	1.5
135.04416	2.6
137.05975	13.3
139.03923	1.4
139.11127	1.4
145.04984	5.9
145.06509	8.7
145.10124	1.8
147.04420	5.0
147.08058	4.4
149.05989	8.3
149.09602	14.3
151.03880	2.7
151.07533	2.8
153.07033	1.5
157.06635	1.7
159.08099	2.2
161.06004	7.9
161.09583	2.5
162.06772	8.0
163.03941	2.2
163.07462	2.9
165.05531	1.9
165.06874	1.4
167.07031	1.3
167.10683	44.6
168.11018	2.0
171.08054	1.4
171.14967	1.7
174.99231	6.7
175.07509	2.4
176.98936	3.9
177.05489	7.4
177.09135	2.3
181.06474	1.3
189.09123	2.4
191.07120	1.5
191.10612	1.2
213.03418	1.4
217.08597	1.9
233.11739	2.6
245.11671	1.3
251.07182	3.0
275.12946	1.4
283.09613	2.6
297.07581	6.7
297.11185	4.2
311.09344	2.2
329.09976	4.0
329.16125	16.5
329.19391	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.5
69.04177	4.0
69.07069	0.6
72.08147	0.6
79.05481	0.5
81.07056	1.3
91.05470	1.1
92.85473	0.4
95.08549	0.4
98.22601	0.8
98.98466	80.4
100.98906	0.5
105.07030	0.9
107.08596	0.6
115.95486	0.5
116.99487	2.3
127.12586	0.5
131.04881	0.5
131.08708	0.5
133.10095	0.5
137.05933	0.8
139.05444	1.0
140.01088	0.8
143.08546	0.5
145.06458	0.6
145.10162	0.7
147.04329	0.4
147.54820	0.5
151.07587	0.4
152.06258	1.2
153.07010	0.9
158.07301	0.4
160.52513	0.4
162.07945	0.4
165.07025	1.2
167.08548	1.5
167.47530	0.4
168.05716	1.0
169.06493	1.0
169.95662	0.4
170.07208	0.6
171.08034	0.4
174.99232	5.5
176.98953	2.3
181.06480	5.0
181.10109	0.6
182.07188	0.9
184.05278	0.9
193.06535	0.5
195.04390	0.9
195.08052	3.8
196.05183	4.6
197.05933	3.5
198.06761	2.5
199.07533	1.4
207.07982	1.2
208.08821	1.0
209.05966	29.3
209.13225	0.5
210.06493	2.5
211.07526	1.3
212.04700	4.5
213.09116	1.8
221.06030	1.3
221.09529	0.4
222.06789	0.7
222.10431	1.4
223.07526	8.4
224.08029	0.6
225.05409	0.5
225.09100	0.9
226.06273	1.5
227.07030	13.6
228.07533	1.2
229.08597	1.8
235.07472	3.1
236.08327	2.3
237.09018	1.3
237.12732	3.9
239.06989	0.6
240.07797	1.5
241.05032	0.7
241.08571	5.1
247.11255	0.6
249.09108	0.6
250.09894	3.8
253.08551	1.0
255.10178	1.9
256.07327	1.9
259.09628	2.9
264.11438	0.6
265.12231	100.0
266.12576	7.6
267.10104	0.6
268.07455	0.7
268.10950	1.4
269.15469	1.0
270.08682	0.6
271.09589	2.6
282.12543	0.9
284.06848	0.5
297.14850	21.3
298.08231	0.5
298.15115	1.4
299.09085	4.6
300.09619	0.5
311.12878	0.5
314.07672	0.8
329.10034	1.8
329.13800	0.9
329.17358	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.5
69.04177	4.0
69.07069	0.6
72.08147	0.6
79.05481	0.5
81.07056	1.3
91.05470	1.1
92.85473	0.4
95.08549	0.4
98.22601	0.8
98.98466	80.4
100.98906	0.5
105.07030	0.9
107.08596	0.6
115.95486	0.5
116.99487	2.3
127.12586	0.5
131.04881	0.5
131.08708	0.5
133.10095	0.5
137.05933	0.8
139.05444	1.0
140.01088	0.8
143.08546	0.5
145.06458	0.6
145.10162	0.7
147.04329	0.4
147.54820	0.5
151.07587	0.4
152.06258	1.2
153.07010	0.9
158.07301	0.4
160.52513	0.4
162.07945	0.4
165.07025	1.2
167.08548	1.5
167.47530	0.4
168.05716	1.0
169.06493	1.0
169.95662	0.4
170.07208	0.6
171.08034	0.4
174.99232	5.5
176.98953	2.3
181.06480	5.0
181.10109	0.6
182.07188	0.9
184.05278	0.9
193.06535	0.5
195.04390	0.9
195.08052	3.8
196.05183	4.6
197.05933	3.5
198.06761	2.5
199.07533	1.4
207.07982	1.2
208.08821	1.0
209.05966	29.3
209.13225	0.5
210.06493	2.5
211.07526	1.3
212.04700	4.5
213.09116	1.8
221.06030	1.3
221.09529	0.4
222.06789	0.7
222.10431	1.4
223.07526	8.4
224.08029	0.6
225.05409	0.5
225.09100	0.9
226.06273	1.5
227.07030	13.6
228.07533	1.2
229.08597	1.8
235.07472	3.1
236.08327	2.3
237.09018	1.3
237.12732	3.9
239.06989	0.6
240.07797	1.5
241.05032	0.7
241.08571	5.1
247.11255	0.6
249.09108	0.6
250.09894	3.8
253.08551	1.0
255.10178	1.9
256.07327	1.9
259.09628	2.9
264.11438	0.6
265.12231	100.0
266.12576	7.6
267.10104	0.6
268.07455	0.7
268.10950	1.4
269.15469	1.0
270.08682	0.6
271.09589	2.6
282.12543	0.9
284.06848	0.5
297.14850	21.3
298.08231	0.5
298.15115	1.4
299.09085	4.6
300.09619	0.5
311.12878	0.5
314.07672	0.8
329.10034	1.8
329.13800	0.9
329.17358	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2473
Annotation	(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid
Peak:m/z	Relative Intensity
53.03937	3.0
53.55878	1.7
55.01867	5.6
55.05507	19.6
56.36585	1.9
57.07067	5.5
65.03943	2.3
67.05176	3.1
67.05507	42.7
69.07072	31.9
73.02910	4.3
75.37437	1.8
78.08189	1.8
79.05492	35.1
81.06578	4.1
81.07060	79.6
83.05009	2.4
83.08624	11.8
91.05482	32.3
93.07047	74.6
95.04956	4.5
95.08609	89.1
97.10165	5.7
98.23357	3.8
98.98468	70.7
105.04476	2.3
105.07035	57.3
107.04985	2.6
107.08594	82.0
108.08905	2.7
109.06512	4.6
109.10157	46.5
110.10535	2.5
117.07034	15.0
119.04948	3.2
119.08578	46.4
121.06516	4.3
121.10145	84.4
121.91325	1.8
122.10510	2.6
123.04421	2.1
123.08074	2.5
123.11710	24.0
129.07008	8.5
130.07793	2.1
131.08585	27.5
133.06523	4.1
133.10138	38.4
135.08017	5.1
135.11696	53.5
135.12683	3.7
136.12082	2.4
137.05981	45.0
137.09491	2.0
137.13297	6.5
138.06754	4.9
139.07558	4.5
143.08563	16.4
144.09409	2.3
145.06467	5.5
145.10120	36.5
147.08041	8.8
147.11690	34.0
149.05962	2.0
149.13251	28.7
151.07587	2.8
155.08583	2.2
157.10124	11.2
159.08043	7.2
159.11696	36.2
160.12013	2.7
161.09683	5.9
161.13258	26.9
162.13692	2.4
163.07585	4.6
163.11244	2.6
163.14845	10.9
165.09109	3.2
165.12785	2.1
167.10628	3.0
169.10101	3.2
171.11674	11.7
173.09665	5.3
173.13272	26.4
174.99232	3.6
175.11230	3.1
175.14845	23.7
177.09129	7.2
177.16418	2.7
179.10664	9.5
181.12320	2.1
183.11609	2.6
185.13234	10.1
187.11255	6.9
187.14818	18.8
189.12714	3.3
189.16418	8.5
191.10698	5.8
191.14357	3.1
193.12297	5.6
195.11728	2.3
197.13315	2.2
199.14833	12.0
201.12708	3.0
201.16367	17.9
202.07895	2.5
203.10756	2.3
203.14380	2.7
203.18013	4.4
205.12265	8.9
207.13878	5.5
209.13361	2.9
211.14832	3.8
212.04532	2.1
213.16389	10.7
215.14377	4.4
215.17955	2.4
217.12338	2.3
219.13817	6.8
221.15436	2.6
223.14819	2.3
227.06970	3.6
227.14304	2.9
227.17926	12.6
228.84662	2.9
229.15942	7.7
233.13394	2.3
233.15305	10.0
235.16994	2.5
241.08490	2.7
241.19588	5.0
243.06476	2.6
243.21135	3.1
245.15454	4.7
245.22635	5.1
247.16948	15.2
252.34404	2.0
254.05824	4.0
255.06514	2.6
255.17427	3.0
259.17014	4.2
269.08005	3.8
269.22641	11.3
271.09326	4.3
272.06775	6.3
273.18567	12.4
283.06024	5.9
283.24185	39.1
284.24582	2.5
286.06094	3.4
286.11600	2.4
287.17841	4.6
293.22702	6.2
297.07629	3.8
299.05432	2.3
299.08820	2.2
311.23679	27.0
312.24011	2.5
314.11072	14.2
315.08609	8.1
315.21078	3.7
329.07889	7.8
329.10855	4.3
329.13638	8.1
329.24783	100.0
330.11218	9.9
330.24731	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2472
Annotation	(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid
Peak:m/z	Relative Intensity
53.03943	1.3
55.01870	0.7
55.05504	5.9
57.07064	1.2
57.41728	0.6
65.03945	1.1
67.05506	17.1
69.07065	8.5
69.31784	2.2
69.32194	2.0
71.05003	1.5
75.37679	0.6
79.05492	13.6
81.07056	22.9
83.08638	4.8
85.06549	1.0
88.07663	0.7
91.05481	12.4
93.07041	30.8
94.07375	1.2
95.04942	0.9
95.08605	31.8
96.08940	0.8
97.06547	0.7
97.10179	1.8
98.97851	1.1
98.98469	15.2
99.04485	0.7
105.07030	29.8
106.07322	0.9
107.08592	39.8
107.76803	0.6
108.08929	0.9
109.06494	1.0
109.10155	24.0
110.10509	1.3
111.08093	1.3
115.05463	0.7
117.07021	6.3
119.08579	25.2
120.08945	0.7
121.06511	1.3
121.10139	32.4
121.11016	1.6
122.10416	0.9
123.08035	0.8
123.11709	7.0
128.06241	0.9
129.06985	2.2
129.09064	0.9
131.08562	15.6
133.10127	18.6
135.08070	2.9
135.11700	11.4
137.13268	1.2
142.07771	0.8
143.08551	6.2
144.09315	1.5
145.06477	1.3
145.10120	17.7
146.10521	0.8
147.08063	3.5
147.09061	0.7
147.11684	16.6
148.11987	1.0
149.09650	2.6
149.13268	8.2
153.09167	3.8
155.08586	1.5
156.09355	1.1
157.10115	7.5
158.10777	1.0
159.08035	2.7
159.11700	21.9
161.09683	2.6
161.13269	14.5
163.07541	2.1
163.11206	2.0
163.14827	6.2
165.09135	2.1
167.08501	0.9
167.10681	4.6
169.10149	1.3
170.10912	0.8
171.11722	3.5
172.12384	0.9
173.09644	2.0
173.13268	15.0
175.11252	1.5
175.14832	4.1
177.09082	2.2
177.12784	1.6
177.16397	1.7
179.10672	1.2
181.10193	1.2
181.12241	4.5
183.11717	2.1
185.13234	3.4
186.13977	0.8
187.11252	1.1
187.14824	8.5
189.12747	2.2
189.16385	0.7
191.10632	1.5
191.14323	0.8
193.12265	2.0
195.11832	1.6
195.13835	1.7
197.13271	2.0
199.11157	1.4
199.14824	4.9
201.12767	3.2
201.16371	8.2
202.16676	0.9
203.14360	1.1
205.12192	3.6
207.13837	4.1
209.13260	1.0
209.15379	0.9
211.07527	1.3
211.14838	1.9
213.12889	0.9
213.16298	3.9
214.16911	0.7
215.14612	1.3
215.17949	21.3
216.18265	1.3
217.12143	1.0
217.15758	0.7
219.13791	6.5
221.15355	4.2
223.14705	1.0
227.14325	0.9
227.17963	2.3
229.15794	0.9
229.19545	1.3
231.13873	0.8
233.15401	5.1
235.16934	1.8
237.16408	1.3
241.05026	0.7
245.15314	1.1
247.16887	2.4
251.17920	1.8
251.55949	0.6
255.17671	1.7
259.16949	2.9
267.06378	1.1
268.07343	2.2
269.19183	3.1
269.22653	2.7
271.05966	3.1
272.15369	0.7
273.18463	7.9
274.19135	0.8
285.07507	0.8
287.20172	1.3
293.22647	2.2
296.06540	0.8
297.07446	1.0
299.05502	1.0
311.23624	3.9
314.07648	3.2
329.06479	1.4
329.10074	8.5
329.19247	4.5
329.24741	100.0
330.25110	7.6
330.33408	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2475
Annotation	(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid
Peak:m/z	Relative Intensity
52.71259	1.1
53.04768	1.0
55.05507	7.7
57.07068	5.2
63.64773	1.0
67.05512	19.0
69.07069	14.9
69.45313	5.8
70.06593	3.8
71.04966	1.4
71.08633	1.6
79.05502	18.7
81.07059	38.7
83.08605	6.3
85.06524	1.4
88.07623	6.6
91.05479	14.9
93.07047	33.3
95.04961	2.0
95.08608	46.1
98.37234	1.0
98.98463	25.0
100.71474	1.4
101.06026	2.5
103.05524	1.4
105.07037	33.2
106.08679	2.8
107.08597	40.8
109.06518	1.1
109.10169	17.0
117.07035	7.7
119.08579	33.0
121.10155	30.8
123.08057	2.1
123.11733	6.2
128.06161	1.4
129.07022	4.6
131.08569	23.5
133.10138	29.6
135.08060	4.9
135.11685	19.0
143.08559	6.4
144.09300	2.6
145.10124	26.4
147.08081	4.7
147.11690	25.7
149.09625	2.3
149.13268	12.7
153.07018	1.5
153.09113	4.1
154.01111	1.1
155.08522	3.4
157.10132	9.4
159.08107	3.6
159.11707	27.0
161.09645	4.8
161.13258	23.1
163.14850	4.5
165.07048	2.5
165.09264	1.2
167.10667	3.5
169.10112	2.7
171.08061	1.6
171.11661	8.0
173.09616	3.9
173.13263	30.7
174.13608	1.2
174.99138	1.2
175.11217	2.7
175.14738	5.7
176.99002	1.3
177.09117	3.3
177.12724	1.6
177.16304	2.3
179.10710	3.5
181.10146	1.6
181.12270	6.0
182.11009	1.2
183.08098	2.3
183.11693	2.9
185.05954	1.6
185.09662	1.6
185.13278	6.3
187.11234	2.5
187.14825	13.0
189.12752	3.3
189.16495	2.3
191.10707	3.5
193.06476	1.3
193.12331	3.3
195.13908	4.9
197.13261	2.9
199.07549	2.0
199.11234	3.1
199.14769	6.8
201.12881	2.5
201.16362	12.3
203.14378	2.0
205.12196	5.9
207.13852	3.6
209.13341	1.7
209.15338	2.6
210.06812	2.2
211.07494	7.2
211.14946	1.2
213.09172	1.6
213.12711	1.2
213.16331	6.4
215.14427	1.6
215.17975	4.6
217.12318	2.5
219.13815	7.6
221.01651	1.1
221.06128	1.7
221.15359	6.7
224.04593	1.8
225.05269	2.3
226.06282	2.0
227.14470	1.6
227.17947	3.3
228.04228	1.6
228.07748	2.5
229.19528	2.0
231.13869	1.8
233.15318	7.3
235.16919	4.3
237.16339	1.7
239.06992	11.2
241.08574	3.5
241.16003	2.4
242.05873	1.9
243.17532	1.4
245.15393	1.9
247.16983	7.2
249.18405	1.8
251.07140	2.5
251.18034	2.3
252.04199	2.4
253.08661	1.8
254.05876	1.6
255.17632	1.9
256.07358	2.6
259.16940	4.4
267.06540	27.1
268.06808	1.9
269.08145	5.2
269.19064	5.2
269.22681	4.8
271.06305	1.9
271.09708	4.3
273.18509	7.8
279.06592	2.3
281.04642	1.4
285.04187	1.3
285.07504	1.4
286.19370	1.4
287.20111	2.4
293.22729	2.0
297.07578	24.8
298.08093	2.9
299.05844	1.9
299.09189	8.6
300.05978	1.7
300.80707	1.3
311.09082	2.1
311.23584	6.2
312.09097	1.6
312.24170	1.6
312.32712	2.0
314.07660	2.2
329.10211	17.4
329.18790	3.1
329.24771	100.0
330.10806	1.3
330.25238	11.1
330.33661	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1096
Annotation	Fluridone
Peak:m/z	Relative Intensity
57.07053	0.4
69.16119	1.1
69.16547	0.9
69.54805	0.2
70.06581	0.3
75.80348	0.2
88.07586	0.8
98.22655	0.6
98.98434	0.7
104.84526	0.2
106.08627	0.3
115.05434	0.2
116.43225	0.3
128.06186	0.3
139.05363	0.6
141.06966	1.8
152.06186	0.4
153.06943	0.7
155.04874	0.8
156.05568	0.4
157.06429	1.1
158.07249	0.3
167.04948	0.4
168.05733	1.6
169.06488	6.5
170.07031	0.2
171.04388	1.2
173.05888	0.3
181.06511	1.7
182.03601	0.3
182.07172	0.7
183.04401	1.4
183.07921	0.4
184.05170	1.4
185.05989	1.9
186.06671	0.9
195.04359	0.8
196.05180	2.0
197.05975	7.5
198.06732	7.0
199.03908	2.4
199.07530	1.9
201.05428	1.0
201.09096	0.6
209.05949	0.9
210.02959	0.3
210.06712	1.4
211.03889	1.8
211.07480	0.8
212.04674	2.7
212.98289	0.2
213.05441	4.4
213.08960	0.3
214.06223	7.0
215.06995	1.2
223.03740	0.3
224.04672	2.1
225.05453	6.5
226.06216	4.2
227.03432	4.4
227.06961	5.0
228.04114	0.4
228.07713	2.0
229.04970	6.1
229.08530	4.7
230.05406	0.6
234.14661	0.2
236.04659	0.2
237.05388	0.7
238.06296	1.4
239.03326	1.0
239.06979	1.6
240.04160	4.0
241.04935	8.5
241.08640	0.5
242.05724	5.7
243.06474	2.3
244.07161	0.8
245.08154	0.2
251.03473	0.5
252.04150	1.1
253.04944	2.2
254.05769	2.3
255.02966	1.0
255.06514	14.4
256.03360	0.5
256.07285	12.6
257.04428	11.1
257.08038	10.6
258.04965	0.7
258.08401	1.0
259.09653	0.4
266.05667	0.8
266.12567	0.7
267.02905	0.6
267.06482	1.4
268.03717	1.5
268.06451	0.2
269.04428	5.8
269.08014	1.0
270.05161	3.8
271.05957	2.1
271.09628	0.9
272.06787	13.1
272.10251	1.4
273.07169	1.2
282.05209	1.2
283.05942	1.9
284.06796	15.7
285.00800	0.2
285.03922	6.0
285.07513	10.5
286.04556	0.7
286.08142	1.5
287.09106	4.1
297.07480	1.1
299.09128	48.9
300.06238	19.1
300.09650	4.8
301.06976	3.0
301.10431	0.4
315.08603	35.2
316.09326	11.7
330.10953	100.0
330.33676	3.9
331.11353	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.8
57.03440	21.7
59.05003	5.7
60.04535	2.1
61.02927	2.2
67.05504	2.9
69.03432	72.8
69.21336	10.9
70.03770	1.9
73.02915	5.4
75.04492	2.7
76.97307	1.4
79.05526	1.8
81.03430	4.1
81.07058	2.5
83.04958	1.6
85.02906	66.3
87.04470	52.8
89.38943	1.3
91.05493	2.2
93.07066	2.7
95.08628	1.8
97.02896	55.8
98.98466	64.1
98.99124	3.2
99.04462	3.4
102.86537	1.3
103.03916	1.7
105.07046	2.1
106.95892	1.5
109.02879	2.4
109.43671	1.6
111.04500	2.4
113.54482	1.4
115.03930	86.7
116.04276	2.2
116.99532	2.0
117.06989	2.4
127.03931	9.2
133.04968	100.0
137.05995	5.7
138.77255	1.6
139.03957	1.3
145.04948	16.1
150.07625	7.6
151.07581	2.1
163.06021	8.1
163.07317	1.7
163.11272	1.6
169.04956	2.5
174.99216	2.4
176.98978	2.3
181.87865	1.4
184.04951	1.3
198.09782	1.6
207.10075	1.8
210.06459	1.8
217.04999	2.1
218.05339	2.9
241.07011	2.3
245.37187	1.6
259.08188	4.2
266.12659	4.1
270.09055	1.5
277.09167	5.2
295.10208	3.6
299.09146	2.7
301.07132	2.6
316.09406	3.5
330.14038	4.4
330.21490	1.6
331.11774	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	24.6
57.03436	8.4
57.07078	10.7
57.70797	6.2
67.05508	65.9
68.72501	6.1
69.07070	23.7
79.05498	27.5
81.03404	8.3
81.07059	54.9
83.04987	18.4
83.08628	16.5
87.04472	29.6
88.07660	8.6
91.05501	20.4
93.07028	35.6
95.04970	8.3
95.08614	35.8
97.10189	11.4
98.98455	92.5
101.06020	8.6
102.55048	6.8
105.07062	12.0
107.08627	14.4
109.10162	37.6
119.08577	16.7
121.10187	16.0
123.11700	7.6
125.09622	9.6
135.11656	9.7
139.11195	13.2
147.11574	6.5
161.13254	6.2
172.13332	12.4
173.11795	34.0
175.14854	8.3
178.66267	6.4
184.05228	6.5
211.07446	7.3
211.13451	8.0
212.04755	9.0
225.05066	7.4
227.06982	8.7
240.04219	28.2
241.08559	7.7
255.06349	14.3
257.07932	13.7
259.20660	8.4
268.03784	9.0
270.08890	23.1
272.06635	15.2
277.21628	23.4
280.07019	10.7
286.04681	33.5
298.08102	26.5
299.09116	10.8
301.06989	80.5
315.08401	18.0
330.10855	100.0
330.30035	22.0
330.33716	9.9
331.11530	21.3
331.18655	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.8
55.05514	52.5
57.07066	2.5
67.05516	13.5
69.03434	3.6
69.06738	2.2
69.07059	11.0
69.15649	8.5
69.16074	6.1
71.08624	5.1
79.05497	13.9
81.07050	19.8
83.04977	4.2
83.08138	2.9
83.08617	35.5
85.06500	2.9
87.04473	3.4
88.07643	3.7
91.05476	4.5
92.31034	2.2
93.07043	7.7
95.04955	1.6
95.08609	3.9
97.06541	1.8
97.10174	64.1
98.97842	3.0
98.98466	39.2
99.08090	2.9
105.07017	3.5
107.08595	21.2
109.10164	3.8
117.07049	2.2
121.10114	2.9
125.09635	59.2
126.12812	2.3
131.08560	2.5
133.10133	2.7
135.08037	6.0
135.11685	3.1
143.10690	3.6
145.10112	2.7
151.11226	3.9
153.09076	3.8
171.10149	7.8
179.14267	2.8
189.11220	100.0
190.11606	2.7
200.20125	2.2
201.62016	2.1
218.21257	3.2
255.06407	2.1
256.07080	2.3
259.20511	4.2
273.16122	2.1
277.21619	39.8
278.21985	2.3
295.22644	5.0
299.09113	3.6
330.10840	4.4
330.19376	7.9
330.29837	5.6
330.33652	13.2
331.20474	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18346	7.1
53.03955	5.8
55.01864	7.4
55.05506	30.4
57.03444	9.7
57.07069	7.3
63.27409	6.4
67.05517	61.4
69.07072	21.3
71.04980	8.6
75.62312	5.2
79.05496	28.3
81.03430	7.0
81.07060	54.8
83.04974	14.7
83.08617	19.7
87.04473	19.8
91.05471	26.8
93.07034	28.2
95.04982	6.8
95.08611	21.2
97.06538	6.9
97.10179	14.1
98.23392	9.6
98.98470	76.6
104.06185	6.3
105.07028	17.3
107.08590	9.8
109.10153	33.2
111.08048	8.3
119.08572	16.2
121.10189	9.7
126.96232	5.7
139.11194	11.7
143.97517	6.8
147.11697	7.2
155.10693	12.0
161.13164	10.7
162.72328	6.9
169.34970	6.5
172.13326	10.8
173.11783	25.0
173.26100	6.5
176.98994	7.1
184.05206	8.4
193.12151	7.0
211.07565	6.8
212.04686	8.9
212.07942	10.9
214.09459	7.5
240.04340	30.1
241.04663	7.2
252.07570	6.8
255.06487	11.4
260.09296	6.2
268.04019	6.8
269.07782	7.8
270.08377	11.5
273.07083	8.6
277.21649	22.4
280.06766	9.9
283.13055	7.0
286.04721	26.6
287.09497	7.6
295.22501	10.4
298.07932	18.5
299.08868	16.3
301.07071	74.9
302.07489	7.4
315.08359	23.2
316.09409	7.9
327.75848	6.9
330.10861	100.0
330.29959	24.7
330.33630	10.1
331.11652	28.7
331.18600	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57825	0.9
54.37873	0.8
62.54735	0.7
65.14908	0.7
67.05497	0.9
69.03418	2.3
70.06598	1.4
70.10391	3.5
73.02914	0.8
74.77802	0.8
79.01266	1.0
79.05495	1.4
81.03414	1.9
83.04987	1.2
84.08127	1.7
85.02908	6.5
85.28946	0.8
86.09704	1.5
91.05488	1.0
93.07059	1.6
97.02907	1.7
98.98466	100.0
100.98873	2.3
105.07029	1.4
107.04961	2.7
107.08549	1.1
108.08115	13.0
109.02882	1.7
109.06504	0.9
110.06046	1.2
111.04469	1.0
116.98720	0.9
116.99504	3.8
121.06487	1.0
123.04434	1.2
123.08029	1.1
124.07576	3.2
125.05989	1.3
127.03921	1.8
134.06033	1.5
135.04410	0.9
135.08047	1.2
136.07568	2.6
137.06044	1.4
145.05017	2.4
150.05476	1.8
151.03894	1.7
151.07495	1.7
151.11227	1.8
152.07076	7.8
161.01248	1.4
163.03900	1.0
169.04771	8.7
170.08102	3.9
174.99193	3.3
176.99011	6.9
177.00455	1.6
178.12218	1.3
181.04932	1.0
185.04256	1.9
191.08130	1.2
193.05008	1.3
195.02971	1.1
211.05994	1.3
235.05936	0.9
237.02718	1.1
247.05954	1.5
273.76794	0.9
279.12241	2.5
285.07645	1.0
297.13309	2.0
313.10715	1.0
314.12488	5.4
331.07840	25.4
331.13617	30.5
332.07892	1.2
332.13608	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0811
Annotation	Dillenetin
Peak:m/z	Relative Intensity
60.32464	0.2
63.93982	0.2
64.08052	0.2
66.34046	0.2
70.68869	0.2
77.73232	0.2
79.27487	0.2
80.74691	0.2
91.05475	0.5
93.07059	0.3
94.98205	0.2
94.99773	0.2
95.04971	0.4
95.08660	0.2
98.98466	9.6
105.07037	0.4
108.02100	0.3
121.02924	0.3
129.06944	0.5
133.06467	0.3
136.01518	0.3
137.05969	0.7
145.06494	0.2
149.06073	0.3
151.07538	0.8
153.01833	1.8
154.02608	0.5
163.03981	0.3
165.06976	0.4
167.08524	0.3
174.99280	0.2
176.98944	0.5
178.02611	0.4
179.03404	0.3
181.06578	0.4
181.16199	0.2
188.02217	0.2
189.09160	0.3
195.08006	0.3
197.09711	0.3
203.03447	0.3
210.06621	0.2
211.07707	0.4
213.05470	0.9
214.06209	0.2
225.09148	0.2
227.10670	0.4
229.04950	0.6
241.04916	0.8
242.05753	4.5
243.06174	0.4
253.04965	0.4
253.08682	0.4
255.10168	0.3
258.05237	5.2
259.05899	0.4
269.04443	0.9
270.05219	13.2
271.05527	1.1
273.03903	2.7
285.03976	1.3
286.04678	2.1
287.05487	7.0
287.12411	0.3
288.05826	0.5
298.04602	0.3
299.05460	1.1
299.08841	0.4
301.00256	0.4
301.03427	3.6
302.04163	4.6
303.04379	0.3
313.03415	3.3
313.14282	0.4
315.04974	57.6
316.05582	8.7
316.09363	0.3
331.08099	100.0
332.04498	0.4
332.08463	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87136	0.6
55.05490	0.6
56.66964	0.5
58.08553	0.6
63.88373	0.6
67.05495	0.8
69.03426	0.8
69.07027	0.6
70.06568	1.4
71.04990	0.8
71.30422	0.8
79.05465	0.7
81.07058	0.8
83.04967	1.1
84.08131	1.2
84.43700	0.6
85.02895	2.1
86.09702	2.5
87.27227	0.6
91.05461	0.7
93.07034	1.7
95.04986	0.8
98.98464	70.2
100.98878	1.8
105.07040	1.1
107.04953	0.9
107.08582	0.8
108.08101	2.4
116.99493	2.7
123.04397	0.8
123.12637	0.6
131.04982	0.6
133.10060	1.0
137.05986	0.6
138.61432	0.6
145.04916	0.7
151.03828	1.2
151.07533	1.3
151.11177	2.1
152.07076	1.5
161.05920	0.6
163.03864	1.3
163.07547	0.8
169.04721	100.0
170.05057	2.1
174.99222	3.2
175.03726	0.6
176.98885	4.5
181.04965	1.4
185.04204	14.5
193.05042	0.9
199.18185	0.6
251.84561	0.6
252.99606	0.6
313.10739	1.0
316.13339	0.7
331.09976	49.8
331.13162	2.1
332.10233	2.5
332.13779	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1175
Annotation	Bussealin E
Peak:m/z	Relative Intensity
68.93414	0.2
69.31407	1.4
91.05477	4.4
92.43262	0.2
98.22598	0.4
98.98463	1.2
101.37391	0.2
106.06498	0.2
115.05365	0.2
128.06207	1.2
129.06905	0.2
132.46928	0.2
138.23584	0.2
139.05379	0.6
141.06950	0.7
143.08606	0.3
145.06453	0.3
152.06219	0.5
153.07088	0.9
155.04903	0.4
156.05701	0.9
157.06554	1.1
159.04445	0.3
165.06943	0.2
167.04927	1.4
168.05676	0.5
169.06464	2.1
170.03659	0.2
171.08051	3.8
172.05136	0.2
172.08325	0.2
174.06760	0.4
181.06520	1.2
181.10060	0.3
182.07127	0.3
182.30710	0.2
183.04373	1.5
183.08038	0.4
184.05193	4.0
185.05969	2.3
187.03923	0.5
187.07643	0.2
195.04369	0.7
196.05173	0.5
197.05972	4.7
198.02986	0.4
198.06703	1.6
198.12802	0.5
199.03783	0.4
199.07539	6.9
200.04675	0.7
200.07864	0.6
201.05362	0.7
202.06221	0.7
209.05962	0.8
210.06726	0.3
211.03900	0.7
211.07513	1.2
212.04678	6.9
212.08191	0.7
213.05463	4.8
213.09163	0.6
214.06352	0.9
215.03400	1.8
215.06996	1.0
216.04112	0.5
222.03131	0.2
223.07574	0.2
224.04680	0.3
224.08247	0.3
225.05481	2.1
226.02594	0.3
226.06227	3.2
227.03357	0.9
227.07011	19.0
228.04256	1.0
228.07568	1.6
229.04971	1.8
229.08591	0.7
230.05719	4.8
237.05443	0.9
238.06139	0.3
239.03355	0.4
239.06981	0.9
240.04178	9.2
240.07674	1.1
241.04883	3.1
241.08592	2.3
242.05794	1.1
242.09355	5.6
243.02882	3.5
243.06511	3.5
243.09874	0.6
244.07201	0.5
245.08028	2.2
253.04849	0.6
254.05629	1.6
255.06519	30.2
256.03952	0.4
256.06970	2.6
257.04501	1.4
257.08084	2.3
258.05237	8.7
258.08792	1.5
259.05759	0.7
265.05014	1.2
267.06519	0.4
268.03680	1.4
268.07050	0.2
269.04486	0.6
269.08084	3.8
270.05389	1.0
270.08838	12.0
271.02460	0.7
271.06000	2.7
271.09396	1.2
272.06830	1.7
273.07568	25.0
273.11044	2.3
274.07919	2.0
279.76791	0.2
280.07251	0.3
283.05994	11.7
284.06351	0.9
285.04245	0.5
285.07541	7.3
286.04715	5.0
286.08170	1.5
287.05600	0.6
287.09113	5.9
288.09882	1.2
297.07550	0.5
298.08334	8.3
299.05585	0.5
299.08932	1.2
300.06821	0.3
300.09882	11.5
301.07129	39.6
301.10651	6.8
302.07498	2.5
302.10876	0.3
315.08478	1.3
316.05524	0.6
316.06577	0.6
316.09381	35.2
317.09863	2.8
331.11731	100.0
332.12137	8.5
335.68903	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1174
Annotation	Bussealin E
Peak:m/z	Relative Intensity
52.69488	0.2
65.03940	0.3
69.73935	0.9
88.07586	0.4
91.05486	12.7
98.22616	0.2
98.98467	3.2
106.06508	0.4
115.05447	0.3
120.08067	0.3
128.06229	1.2
129.06982	0.5
136.67728	0.2
139.05446	0.5
141.06987	0.9
145.06430	0.3
152.06181	0.3
153.07014	1.2
155.04904	0.4
156.05693	1.2
157.06491	1.1
159.04451	0.3
165.06981	0.3
167.04956	1.6
168.05669	0.6
169.06490	1.6
171.08069	3.5
172.05136	0.4
174.06819	0.3
181.06480	1.6
181.10139	0.5
182.07266	0.4
183.04414	1.1
183.08069	0.5
184.05219	4.2
185.05983	2.4
187.03894	0.5
187.07524	0.4
195.04419	1.0
195.08188	0.2
196.05225	0.5
197.05989	4.0
198.03130	1.0
198.06761	1.8
198.12782	1.1
199.03909	0.6
199.07542	7.4
200.04663	0.5
200.07925	0.3
201.05440	0.7
202.06201	0.8
209.05992	0.9
210.03107	0.2
210.06688	0.4
211.03998	0.8
211.07527	1.0
212.04683	7.2
212.08075	0.5
213.05470	4.6
213.08913	0.5
214.06160	0.7
215.03394	1.6
215.06984	1.1
216.04158	0.8
224.04692	0.5
225.05493	2.6
226.06261	3.7
227.03362	1.0
227.07030	20.0
228.04279	1.1
228.07578	1.8
229.05037	1.3
229.08524	0.5
230.05760	5.1
237.05475	0.7
238.06125	0.4
239.03461	0.3
239.07031	1.3
240.04175	8.4
240.07854	1.0
241.04921	3.4
241.08582	2.8
242.05704	1.2
242.09377	6.0
243.02904	3.4
243.06540	4.1
243.09369	0.4
243.09920	0.4
244.03508	0.4
244.07150	0.5
245.08086	2.2
253.04938	0.7
254.05722	1.2
255.06532	29.8
256.04318	0.3
256.07019	2.7
257.04535	1.2
257.08072	2.2
258.05273	8.3
258.08728	1.3
259.05664	0.4
265.04977	1.3
267.06546	0.4
268.03711	0.9
268.07248	0.3
269.04617	0.6
269.08096	4.3
270.05411	1.0
270.08856	12.6
271.02774	0.5
271.05988	2.7
271.09363	1.1
272.06854	2.0
273.07593	25.8
273.11105	2.9
274.07947	0.9
280.07208	0.4
283.06015	11.9
284.06555	0.8
285.04294	0.5
285.07578	8.2
286.04745	5.0
286.08298	2.0
287.05573	0.5
287.09094	5.9
288.09793	1.5
297.07526	0.3
298.08359	7.8
299.05499	0.3
299.08609	1.0
300.06702	0.5
300.09891	12.6
301.07132	39.1
301.10675	6.2
302.07471	2.7
302.10678	0.6
315.08618	1.5
316.09393	33.5
317.09897	2.3
330.33667	0.3
331.11749	100.0
332.12158	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1175
Annotation	Pterolinus F
Peak:m/z	Relative Intensity
51.00318	0.7
71.30930	1.3
74.88991	0.8
88.95113	0.7
95.05007	0.8
98.97844	1.6
98.98463	22.6
105.06992	1.0
115.05404	1.4
119.08531	1.2
128.06244	1.1
133.10100	0.9
139.05417	1.6
140.06207	3.1
141.06978	1.8
144.05751	0.9
152.06218	3.7
153.07022	7.2
155.08548	2.8
156.05716	1.4
156.63370	0.8
157.06458	2.6
163.51929	0.7
165.06993	7.6
167.08591	1.1
168.05702	29.8
169.06450	3.3
176.98885	1.7
180.05698	1.1
181.06520	6.4
182.07236	5.4
183.08063	27.7
184.05217	1.7
185.02354	3.0
185.05969	13.1
191.07036	1.2
193.06480	3.6
194.03648	1.1
195.04477	1.4
196.05196	29.3
196.06985	1.8
197.05981	5.6
198.06702	2.4
199.07516	3.2
200.08263	2.0
206.03635	0.8
208.05215	3.6
209.05937	4.9
210.06754	7.8
211.07530	86.5
212.04614	2.3
212.07898	5.5
213.05464	28.6
214.06151	7.0
215.03387	1.4
221.05945	4.1
223.03882	4.2
223.07556	1.5
224.04654	13.5
225.05455	5.5
226.02596	1.2
226.06226	1.7
227.06992	6.5
228.07762	15.3
229.04947	0.9
229.08438	1.5
230.05772	2.4
236.04716	1.1
237.05423	3.8
238.06224	10.7
239.07016	86.0
240.04225	2.2
240.07570	5.8
241.04939	19.7
241.08649	3.3
242.05728	4.5
242.09251	1.6
243.02879	1.9
243.10106	4.3
245.07687	0.8
252.04135	5.6
253.04941	13.9
253.08612	6.9
254.05670	2.5
255.06493	6.2
256.07294	30.9
257.04575	1.2
257.07941	5.5
258.05225	24.6
266.05756	3.6
267.06516	100.0
268.07181	17.0
269.04446	13.9
269.07571	1.4
270.05005	1.9
270.08817	1.6
271.06094	2.7
271.09592	17.0
271.12399	1.2
272.10043	1.4
273.07544	18.5
281.08316	1.0
282.08954	1.0
283.06058	2.8
284.06766	20.9
285.07581	13.6
286.04645	2.0
286.07938	1.3
299.09137	79.6
300.09735	14.6
301.07065	18.4
301.10400	1.8
302.07474	1.0
313.10770	2.6
316.09402	41.3
317.09775	2.7
331.11719	47.4
332.12137	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
53.34649	1.0
55.01878	2.5
65.03939	2.1
69.81174	2.7
69.81553	1.7
79.05510	3.4
81.07047	2.4
91.05481	37.5
94.04194	4.3
95.04972	7.1
103.05478	6.3
105.07068	4.8
107.04939	9.2
109.06556	5.2
111.04431	2.1
115.05437	2.2
116.06322	1.0
117.07059	3.5
117.77896	1.1
119.04941	23.7
121.06500	6.5
122.03642	10.4
123.04467	1.7
123.08147	1.0
128.06232	6.2
129.07004	16.9
131.04915	6.3
131.08609	1.3
133.06502	1.4
135.04460	1.2
135.08044	7.5
136.05199	4.1
137.05972	94.1
138.06332	2.2
143.04950	1.2
145.06532	4.9
146.03664	1.9
146.07304	1.3
147.04402	1.9
147.08061	1.6
148.05164	1.6
149.05981	14.6
149.54483	1.1
150.06604	1.2
151.03900	3.3
151.07539	100.0
152.06241	6.1
152.07870	2.8
153.07013	2.0
154.07884	1.3
155.05995	1.6
157.06506	12.9
159.04445	1.0
161.05991	15.5
161.09666	3.6
162.06665	1.5
163.07555	22.0
165.06976	15.7
165.09052	5.3
166.07765	4.1
167.08569	18.7
169.06520	3.6
174.06776	8.5
175.07553	4.8
176.08269	1.8
177.07011	1.9
177.09122	4.1
178.07751	7.9
179.08577	3.2
180.05898	1.0
181.06482	6.1
182.07257	5.6
183.08087	1.3
184.08850	1.5
187.07629	1.3
189.09100	37.6
191.08614	1.7
192.09332	2.5
193.06509	8.8
193.08081	1.2
193.08615	1.0
193.10121	7.5
194.07257	3.5
195.08061	29.7
196.05321	1.0
196.08725	3.3
197.05887	5.2
197.09631	1.5
199.07483	2.3
202.07706	1.8
203.08540	3.7
205.06531	1.8
206.07298	2.2
207.08246	1.7
207.10065	5.5
209.05981	3.5
209.09587	4.3
210.06708	11.7
210.10326	0.9
211.07491	5.3
212.08252	6.7
213.09047	1.1
219.08095	1.9
220.08875	1.1
221.05978	10.8
221.09601	11.8
222.06552	1.9
222.10188	1.6
223.07564	10.5
224.08319	5.7
225.05545	1.9
225.09094	11.8
226.09474	1.3
227.07144	2.1
227.10661	36.9
228.11093	2.3
229.08562	1.2
234.06740	2.2
235.07561	1.2
237.05460	2.2
237.09137	4.1
238.06255	8.3
238.09863	2.3
239.06987	3.7
239.10735	1.9
240.07817	4.1
241.08577	2.1
241.12247	1.4
248.08354	1.2
249.09071	5.8
251.07002	1.7
252.07875	1.5
253.08617	17.1
253.12254	17.1
253.14700	1.2
254.09258	1.9
255.10164	34.8
256.10635	2.4
267.09991	5.1
269.08142	4.8
269.11606	2.6
270.08832	1.8
272.10333	4.8
281.11862	6.3
284.10437	1.3
285.11172	22.1
285.14124	1.8
287.12766	44.7
288.12988	1.3
298.12076	1.4
313.14294	13.2
331.15405	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06389	1.3
52.07491	1.7
53.03954	2.0
55.01872	2.4
59.44585	1.4
65.03954	2.4
65.99541	1.4
67.05485	2.5
69.03457	2.4
69.04059	16.0
79.05495	6.9
81.07069	4.8
83.04974	1.6
85.02912	3.8
86.37880	1.7
91.05477	41.8
91.93584	1.5
93.07038	2.3
94.04198	3.1
95.04970	7.6
95.08590	1.8
98.98460	25.0
98.99038	2.8
101.53731	1.8
103.05475	6.9
105.07014	5.7
107.04976	9.5
107.08574	1.9
108.08093	1.8
109.06527	3.6
114.92854	1.4
115.05476	2.6
117.07003	3.0
119.04940	20.9
121.06499	9.6
122.03668	6.2
123.04364	2.4
128.06255	5.3
129.06995	17.4
131.04901	7.5
131.08545	2.9
133.06519	2.5
133.10123	2.0
135.08064	7.3
136.05235	3.9
137.05969	89.8
137.77011	1.6
138.06308	2.1
143.04887	1.9
145.06500	4.0
146.03563	1.8
149.05995	15.8
151.03918	3.9
151.07536	100.0
151.11136	2.4
152.06189	5.5
152.07928	3.4
157.06461	12.9
161.05983	13.3
161.09630	5.3
163.07536	28.8
164.08397	1.7
165.07027	10.8
165.09109	5.4
166.07771	4.7
167.07166	2.8
167.08556	21.5
169.06555	3.4
169.12326	1.7
174.06779	6.2
175.07602	5.9
176.98985	2.5
177.06973	2.5
177.09122	2.8
178.07768	6.3
179.08578	2.4
181.05016	2.7
181.06491	6.9
182.07266	4.6
183.07988	1.6
189.09099	35.8
190.09474	2.2
192.09334	2.8
193.06441	7.6
193.10123	8.6
194.07281	3.4
195.08041	27.3
196.08658	2.9
197.05981	5.8
203.08585	4.0
205.06609	2.5
206.07323	1.9
207.08336	2.3
207.10197	6.4
209.06006	2.9
209.09650	4.8
210.06737	8.5
211.07587	5.5
212.08379	6.3
213.09146	1.6
221.05981	10.2
221.09514	11.6
223.07526	12.6
224.08263	6.3
225.05602	1.8
225.09048	13.7
227.10646	33.1
234.06793	1.8
235.07597	2.3
237.09053	2.7
238.06281	5.9
238.09845	1.8
239.06941	3.6
240.07845	3.2
241.12233	2.0
249.09113	7.5
253.08598	14.3
253.12216	18.7
254.09009	2.6
255.06496	2.3
255.07112	2.4
255.10153	33.7
255.12880	1.7
256.10611	4.5
267.10117	6.3
269.08151	4.0
269.11679	1.8
270.08893	3.8
271.10803	1.7
272.10419	4.3
281.11761	7.1
283.26654	1.8
284.10376	2.4
285.11200	23.8
286.11475	3.0
287.12769	43.1
288.13129	3.0
301.14383	2.0
313.07309	1.8
313.14423	12.7
331.12109	2.4
331.16089	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
53.03959	1.2
55.01870	2.4
55.05506	1.7
59.04982	1.9
65.03951	2.1
67.05508	3.3
67.68828	1.1
69.03420	2.4
69.07086	1.3
71.04993	1.7
71.30064	2.0
73.88336	1.0
79.05494	6.4
81.07067	6.2
85.02907	4.6
89.03900	1.3
91.05486	35.2
93.07047	1.2
94.04202	4.6
95.04957	8.1
98.98466	13.0
99.04477	1.5
101.06026	1.1
103.05473	11.9
105.07026	10.4
106.13456	1.1
107.04965	10.0
107.08614	3.0
109.06529	6.2
109.10166	9.4
111.04475	3.0
111.08087	5.1
115.05447	3.2
117.07001	3.3
119.04949	20.6
121.06509	7.1
122.03654	6.6
122.42516	1.1
123.08079	2.3
123.11719	8.9
128.06219	5.7
129.07011	16.6
131.04929	9.3
131.08566	2.1
133.06482	3.4
135.08058	8.9
136.05215	5.5
137.05981	84.8
138.06343	2.7
143.04976	1.1
145.06464	5.4
146.03697	1.5
147.04349	2.1
148.05194	3.4
149.05986	18.4
150.09203	1.6
151.03932	4.4
151.07545	100.0
151.11176	3.3
152.06264	3.9
152.07906	4.0
153.07021	2.0
157.06479	12.0
157.10164	1.1
161.06009	14.9
161.09645	3.6
163.07549	26.7
164.08311	9.7
165.07011	16.1
165.09044	5.7
166.07712	3.8
167.07179	2.0
167.08569	18.6
168.09047	1.2
169.06514	1.9
169.12234	13.6
171.08105	1.2
174.06764	5.3
175.07550	3.6
177.06958	1.8
177.09099	2.0
178.07805	7.3
179.08591	2.4
181.06517	4.3
181.10103	2.0
182.07254	6.5
184.08885	1.4
189.09119	32.9
190.09525	2.3
191.08615	2.5
192.09328	3.1
193.06558	8.1
193.08252	1.3
193.10095	7.1
194.07277	3.8
195.08055	29.1
196.08630	2.3
197.05997	5.8
197.09621	2.5
199.07561	1.9
202.07809	2.6
203.08664	2.1
205.06479	1.7
206.07240	2.3
207.08151	2.4
207.10172	3.3
209.05978	3.1
209.09660	5.1
210.06787	12.3
211.07529	5.5
212.08345	5.7
220.09106	1.5
221.06009	9.8
221.09618	12.8
223.07550	13.9
224.08241	3.9
225.05525	1.7
225.09073	12.4
227.07013	4.1
227.10681	32.3
228.11212	1.5
231.08119	1.3
234.06805	1.3
235.07594	2.7
237.05345	1.7
237.09128	4.5
238.06271	5.0
238.09825	1.4
239.07028	2.9
240.07825	3.6
241.08640	2.6
241.12531	1.7
249.09119	4.8
252.07726	2.5
253.08592	14.0
253.12201	15.5
254.09148	2.4
254.12540	1.5
255.06487	2.6
255.10178	33.3
256.10538	2.9
257.07916	1.4
267.09961	6.0
269.08109	5.4
269.11697	2.5
270.08777	2.0
271.09839	2.6
271.13379	1.3
272.10385	4.6
272.99860	1.4
281.11792	6.7
284.10397	2.1
285.08151	0.9
285.11185	20.2
287.12778	41.7
288.13144	4.8
299.12524	1.7
313.11462	1.5
313.14462	10.3
314.14911	1.6
331.12112	4.0
331.15417	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.6
55.01870	1.4
65.03951	2.8
67.05505	2.2
69.15535	11.0
77.03945	1.4
79.05502	6.8
81.07059	3.8
82.34010	1.2
88.93372	1.3
91.05483	35.1
93.07079	2.2
94.04193	4.5
95.04964	8.3
95.08620	1.3
98.23360	2.7
98.98467	17.3
103.05470	9.5
105.07034	6.1
107.04958	17.5
109.06536	7.1
109.10166	4.0
111.04414	1.7
115.05463	5.3
117.07051	3.4
119.04955	21.5
121.06515	9.4
122.03626	9.4
123.08031	1.6
128.06219	7.7
129.07013	23.2
131.04921	6.1
131.08623	2.5
133.02829	1.4
133.06496	4.3
135.04454	2.3
135.08084	6.5
136.05214	4.0
137.05977	96.1
141.06995	1.4
143.04903	1.6
145.06505	4.2
146.03644	4.5
146.07271	2.4
147.04498	1.3
147.08070	2.1
148.05246	3.0
149.05986	19.0
150.06725	1.4
151.03946	5.4
151.07542	100.0
151.11143	2.2
152.06221	5.3
152.07936	3.7
153.06902	2.1
157.06517	15.1
160.05222	1.3
161.05992	34.2
161.09604	8.7
162.06456	1.5
163.07538	28.6
165.06979	15.9
165.09047	6.5
166.07849	3.9
167.08556	19.0
169.06500	3.3
169.08360	3.0
169.12265	2.3
174.06764	6.6
175.07484	7.2
177.07007	1.8
177.09134	3.1
178.07808	9.3
179.08582	3.4
181.06517	5.9
181.08609	1.7
182.07277	5.3
185.04250	5.0
189.09113	47.7
190.09431	1.5
191.08580	2.5
192.09293	2.3
193.06448	10.2
193.08635	1.4
193.10167	10.2
194.07210	4.0
195.08043	26.4
196.08781	2.1
197.05949	8.1
197.09761	1.5
202.07790	1.5
203.05307	2.5
203.08553	3.0
205.06546	2.3
206.07307	2.7
207.08211	1.8
207.10124	13.6
209.05894	2.8
209.09657	3.5
210.06731	12.0
210.10127	1.4
211.07637	6.2
212.08253	6.0
213.09116	2.2
220.08763	2.2
221.05952	11.5
221.09554	14.9
222.06567	1.7
223.07570	13.3
224.08304	5.6
225.05495	3.3
225.09087	13.0
227.07021	4.8
227.10649	31.1
228.11188	1.7
235.07523	1.5
237.05449	2.5
237.09100	4.3
238.06305	5.0
238.09943	3.0
239.07011	3.5
239.10519	2.3
240.07773	4.5
241.08562	2.4
241.12303	2.4
242.09351	2.2
243.11298	2.0
245.00795	1.4
249.08990	8.2
252.07797	2.6
252.90056	1.3
253.08577	18.6
253.12244	18.3
254.09081	2.3
255.06500	3.1
255.10153	34.1
256.10645	3.1
266.09406	2.3
267.10110	6.8
269.08163	7.2
269.11777	2.7
270.08743	5.2
272.10370	4.1
281.11752	8.6
284.10214	2.7
285.11209	30.4
285.13611	1.2
286.11655	2.5
287.12756	42.7
288.12939	2.8
298.12149	1.6
299.12775	1.9
301.14276	2.5
313.14328	15.8
314.14761	2.7
331.08102	1.3
331.13751	18.3
331.17239	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
55.01856	1.5
65.03959	1.8
69.48999	5.4
79.05498	2.5
88.30173	1.2
91.05479	31.0
91.06009	2.5
94.04197	3.4
95.04971	5.4
98.22601	1.7
98.98465	1.9
103.05476	4.4
104.66861	1.3
105.07057	4.3
107.04976	6.3
109.06532	4.5
109.10143	1.9
111.04453	2.3
115.05420	3.0
117.07058	1.7
119.04938	23.2
119.15773	1.2
121.06523	8.1
122.03639	8.2
123.04471	2.0
128.06267	5.3
129.07016	14.2
131.04950	5.3
131.08545	1.3
133.06519	2.0
135.08052	6.7
136.05211	4.2
137.02367	1.5
137.05975	77.5
138.06308	1.5
143.04901	1.8
145.06503	3.8
147.04361	1.5
149.05983	16.3
150.06697	2.1
151.03949	3.1
151.07541	100.0
151.53294	1.3
152.06258	4.2
152.07901	4.8
153.07152	1.3
155.06024	1.3
157.06488	13.1
161.05983	14.9
161.09642	4.0
162.06770	1.7
163.03949	1.6
163.07530	25.1
165.06999	15.1
165.09161	4.3
166.07745	5.1
167.08585	17.0
169.06483	2.3
174.06778	6.7
174.97559	1.3
175.07584	5.0
177.07007	2.4
177.09059	1.9
178.07722	7.5
179.08475	2.8
181.06534	5.2
181.10066	2.3
182.07312	5.8
189.09100	31.9
189.10645	2.3
191.08601	3.5
191.80551	1.5
192.09352	2.6
193.06531	7.4
193.10071	9.5
194.07379	2.3
195.08064	24.4
196.08585	3.8
197.06007	6.3
197.09602	1.7
199.07521	1.6
199.11243	1.7
203.08562	1.7
207.08160	2.3
207.10252	3.8
209.06001	2.7
209.09631	2.9
210.06862	9.6
211.07497	4.2
212.08311	4.2
221.06003	10.4
221.09550	9.6
223.07574	12.7
224.08386	4.2
225.05490	2.3
225.09074	10.8
226.09612	1.9
227.07080	3.1
227.10646	31.9
228.11046	2.5
237.09181	4.6
238.06256	5.2
238.09946	1.4
239.07018	2.9
240.07825	3.8
241.08401	2.0
249.09120	4.9
250.09760	1.9
252.07901	2.6
253.08556	13.7
253.12248	15.3
255.06357	1.4
255.07172	1.4
255.10162	30.6
256.10678	2.8
267.10138	4.9
269.08112	5.7
269.11426	2.0
270.09033	2.0
272.10391	3.2
281.11728	6.0
285.11209	18.3
286.11517	1.8
287.12772	38.4
288.13129	3.7
298.12000	1.7
300.95422	1.6
301.14310	1.7
307.54453	1.4
313.14310	10.1
331.15561	2.0
334.87604	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01868	2.6
55.05500	4.3
57.98135	1.0
65.03938	2.6
67.05495	4.3
69.03416	3.0
69.07066	5.1
69.41383	5.5
69.41786	1.9
77.03954	1.2
79.05496	7.4
81.07067	8.2
82.75121	1.0
83.04975	4.0
85.06532	1.6
91.05485	46.4
92.05795	1.4
93.07042	11.8
94.04188	3.9
95.04984	8.5
95.08615	10.5
97.06539	1.8
98.98457	5.6
99.08103	1.0
103.05486	6.7
105.07040	14.2
107.04953	8.7
107.08619	8.7
109.06520	8.0
109.10160	3.0
111.04428	1.5
111.08087	14.4
112.05466	1.0
115.05445	2.5
116.06257	1.3
117.07030	6.2
119.04953	23.6
119.08592	11.3
120.05788	1.1
121.06513	9.5
121.10128	3.3
122.03660	10.3
123.04342	1.2
123.08056	3.9
125.05949	1.3
128.06209	6.9
129.07019	18.9
131.04890	6.2
131.08562	8.5
133.06482	2.8
133.10146	5.4
135.08063	9.6
135.11765	1.5
136.05222	4.8
137.05981	89.8
137.09595	7.9
138.06296	2.2
138.33917	1.1
139.07645	1.1
141.07011	3.1
142.07779	1.7
143.04945	1.4
143.08531	5.5
145.06470	3.9
145.10092	9.1
146.03540	1.7
146.07283	1.4
147.04453	1.2
147.08073	3.9
147.11708	4.5
149.05975	14.6
149.09631	3.1
151.03903	4.0
151.07547	100.0
152.06200	6.7
152.07893	4.2
153.06961	2.5
154.07820	0.9
155.08563	4.7
156.09395	1.1
157.06499	15.6
157.10115	4.5
159.08022	2.7
159.11653	4.5
160.05222	1.1
161.06001	13.8
161.09613	5.4
161.13283	2.6
162.06664	1.2
163.07545	24.4
163.11172	1.1
165.07011	18.0
165.09074	4.5
166.07797	4.2
167.07159	2.0
167.08563	19.2
168.09093	1.1
169.06522	3.5
169.10132	5.1
171.08057	1.3
171.11748	4.6
173.09633	2.4
173.13252	7.0
174.06744	7.5
175.07509	3.3
175.11194	1.2
177.06998	2.8
177.09145	2.8
178.07787	9.3
179.08528	4.1
180.05586	1.1
180.09302	1.4
181.06522	5.6
181.10075	3.5
182.07271	3.8
183.08093	1.6
183.11688	4.2
185.13278	4.4
187.07535	1.2
187.11183	1.3
187.14828	2.5
189.09109	32.0
189.12648	1.1
190.09470	2.1
191.08566	2.8
191.10606	1.0
192.09406	1.9
193.06506	8.5
193.10156	10.9
194.07246	4.5
194.64027	0.9
195.08052	29.8
195.11708	1.5
196.08775	1.5
197.05971	6.6
197.09506	1.8
197.13225	3.5
199.07538	1.7
199.11247	2.1
199.14847	3.1
201.12703	2.6
201.16420	1.5
202.07709	1.5
203.08542	3.6
205.06616	2.3
206.07231	2.2
207.08173	2.2
207.10204	4.1
207.11877	1.7
209.06003	4.1
209.09572	4.6
210.06755	11.4
210.10194	1.2
211.07516	6.5
211.14792	3.6
212.08240	5.5
213.12694	1.2
215.14368	2.2
219.08020	1.8
219.13866	7.2
221.05994	11.6
221.09579	13.1
222.06702	1.6
222.10194	1.2
223.07535	15.1
223.14793	2.1
224.08247	6.7
225.05479	1.8
225.09081	11.6
225.12773	1.3
226.09552	1.2
227.07071	2.1
227.10680	30.8
228.10963	2.8
229.08615	1.3
229.15868	3.3
231.08008	1.4
233.15334	2.6
234.06848	1.3
235.07452	1.6
235.14714	1.1
237.05492	1.7
237.09076	4.0
238.06226	6.7
238.09917	2.3
239.07051	2.5
239.10626	1.6
239.14211	1.3
239.17958	1.7
240.07784	3.6
241.08572	2.2
241.12218	2.7
241.15919	2.8
247.16966	5.9
249.09152	6.5
250.09761	1.6
252.07793	2.9
253.08589	14.3
253.12234	19.2
254.09238	2.2
254.12552	1.9
255.06438	1.5
255.07115	1.6
255.10165	32.5
256.10568	1.9
257.08041	1.7
259.13391	1.2
259.16885	3.2
266.09375	1.6
267.10217	7.1
267.21106	2.4
269.08041	5.0
269.11560	2.7
270.08777	2.3
272.10468	4.1
277.19577	2.9
281.11713	7.4
284.10281	2.6
285.11230	21.3
285.18454	1.1
285.21918	1.7
287.12778	38.6
288.13147	2.7
295.20587	7.3
298.11923	1.5
301.14398	1.3
313.14395	10.1
313.21616	18.8
314.22046	1.6
331.11768	2.1
331.15393	3.8
331.22650	31.9
332.22986	2.2
341.90955	1.1
344.17450	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1539
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
51.92183	0.9
53.03938	1.4
55.01863	1.7
65.03941	1.3
67.05516	1.3
69.03430	1.2
71.30101	1.7
79.05503	4.5
81.07061	2.8
91.05479	34.8
92.05843	1.3
93.07052	2.2
94.04200	3.3
95.04979	7.7
95.08617	1.9
98.43543	1.0
98.98460	12.0
103.05473	5.7
105.07026	6.7
107.04951	8.6
107.08625	2.4
109.06535	4.3
115.05455	2.8
117.07021	2.7
119.04941	18.7
121.06495	7.3
121.10120	1.3
122.03638	9.8
123.04430	1.3
128.06210	6.1
129.07010	15.2
131.04936	5.3
131.08568	2.8
133.02867	1.2
133.06480	2.9
133.10152	1.6
134.10481	1.5
135.08047	5.9
136.05191	4.1
137.05971	84.7
138.06329	3.2
143.04918	1.4
145.06516	4.4
146.03593	1.6
146.07280	2.0
147.04402	1.9
148.05116	1.6
149.05963	14.1
151.03885	3.7
151.07538	100.0
152.06244	3.0
152.07899	4.1
153.07045	2.8
157.06465	11.4
159.08110	1.1
161.05971	14.0
161.09650	3.1
163.07547	20.8
163.08888	1.2
165.05663	1.7
165.06984	12.5
165.09172	4.2
166.07791	4.3
167.08557	17.0
169.06476	1.7
174.06764	8.2
175.07579	4.7
176.08307	1.1
177.05455	1.0
177.06934	1.9
177.09169	2.5
178.07726	6.6
179.08600	1.9
181.06435	5.9
182.07248	4.9
183.08011	1.6
184.08961	1.4
187.07529	1.9
189.09105	36.4
190.09416	1.8
191.08507	1.5
192.09326	2.4
193.06511	8.7
193.08606	1.4
193.10127	8.3
194.07335	3.0
195.08044	27.3
196.08659	2.9
197.05934	5.4
197.09558	1.3
199.07642	1.8
199.11157	1.6
202.07790	2.0
203.08592	2.8
206.07289	2.3
207.08223	2.4
207.10216	4.9
209.05992	2.4
209.09570	2.7
210.06702	8.5
211.07504	5.8
211.89023	1.0
212.08348	5.8
219.08078	1.3
221.06003	10.8
221.09566	11.4
222.06654	1.0
222.10143	1.1
223.07520	13.2
224.08369	5.1
225.05495	1.7
225.09085	13.0
227.06967	3.6
227.10634	32.5
235.07581	1.7
237.08998	3.0
238.06256	7.5
238.09927	2.5
239.06940	3.9
239.10698	2.0
240.07823	4.4
241.08517	2.1
241.12169	2.3
249.09117	5.2
250.09831	1.2
252.07761	2.5
253.08603	14.2
253.12213	15.5
254.09216	1.6
255.10162	30.5
256.10651	2.9
266.09274	1.3
267.10144	7.0
269.08124	4.6
269.11588	2.2
270.08838	3.1
272.10376	5.3
281.11664	5.4
284.10400	1.3
285.11145	19.8
287.12790	40.8
287.16003	2.0
288.13138	1.8
298.12054	2.0
299.09219	2.8
299.90952	1.1
313.14307	10.0
331.11670	3.3
331.15436	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21541	0.9
53.03949	1.4
55.01876	1.1
56.31452	0.8
59.04988	1.0
61.61423	0.8
65.03930	2.9
67.05502	1.5
69.28712	4.6
73.88161	0.8
79.05489	4.9
81.03400	7.6
81.07059	3.3
85.02909	2.1
91.05481	38.7
93.07048	1.9
94.04195	5.2
95.04966	8.5
98.98493	5.3
103.05470	4.7
105.07001	5.1
107.04954	10.0
109.06516	6.0
109.10119	4.3
111.04452	2.0
115.05451	2.5
117.07025	2.9
119.04945	23.7
120.40911	1.3
121.06520	7.5
122.03646	8.6
123.04412	1.6
123.08090	1.1
123.11703	1.3
128.06233	5.6
129.07010	19.3
131.04935	7.4
131.08620	1.6
133.06511	3.5
134.03638	1.1
135.08057	7.0
136.05200	4.2
137.05975	92.2
138.06331	2.9
141.07080	1.4
143.04962	1.2
145.06505	4.7
146.03619	1.6
146.07278	1.1
147.04445	3.2
147.08055	1.6
147.09175	2.5
148.05177	2.2
149.05983	15.2
150.06712	1.2
151.03958	3.6
151.07542	100.0
151.11156	2.5
152.06189	4.8
152.07889	4.4
152.57700	1.0
153.06976	2.1
154.07732	1.1
155.08582	0.9
157.06485	14.0
158.07201	2.6
159.04402	1.0
159.08008	1.4
161.05968	15.9
161.09630	3.7
162.06700	1.0
163.03967	1.4
163.07544	26.0
164.08246	2.7
165.06999	14.9
165.09108	5.0
166.07773	5.1
167.07182	1.2
167.08560	21.3
169.06549	2.6
169.12276	1.2
173.05983	1.2
174.06750	7.3
175.07520	5.0
175.08821	1.9
177.07008	2.6
177.09181	2.5
178.07806	8.1
179.08557	2.2
181.06512	6.9
181.10078	1.3
182.07306	5.5
183.08075	2.2
184.08781	1.3
187.07559	1.9
189.09102	33.9
190.09482	1.8
191.08531	1.8
192.09358	2.2
193.06548	8.3
193.08340	1.2
193.08618	1.2
193.10138	8.6
194.07286	3.9
195.08051	33.6
196.05276	1.1
196.08650	3.2
197.05933	5.4
197.09618	1.6
199.07498	1.8
199.11124	1.6
202.07825	1.2
203.08484	3.2
205.06563	1.5
206.07329	2.3
207.04388	0.9
207.08203	1.8
207.10175	5.3
209.05968	3.1
209.09625	4.7
210.06760	12.2
211.07530	4.8
212.08363	4.8
213.08904	1.1
220.08904	1.9
221.05983	11.1
221.09554	12.7
222.06667	1.0
222.10092	1.6
223.07558	11.0
224.08368	5.6
225.05553	2.1
225.09056	11.0
226.06274	1.1
227.07036	2.5
227.10664	28.9
228.09004	0.9
228.11050	2.2
234.06699	1.1
235.07480	1.5
237.05470	1.1
237.09108	3.3
238.06221	7.1
238.09760	2.7
239.06949	2.7
239.10701	1.6
240.07800	4.3
241.08536	2.8
241.12302	1.3
249.09126	6.4
249.17311	0.9
250.09708	1.2
252.07774	1.9
253.08607	15.5
253.12253	18.2
254.09151	1.5
254.12495	2.1
255.06335	1.8
255.07092	1.6
255.10175	32.5
256.10556	3.2
259.13199	1.1
266.09335	1.9
267.10080	5.2
269.08127	5.8
269.11743	3.9
270.08795	2.4
272.10449	2.4
281.11591	4.7
284.10452	2.4
285.11227	20.0
286.11411	2.1
287.12769	41.4
288.13156	2.5
298.11841	1.4
299.12677	1.6
313.14288	12.0
331.12558	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74771	1.3
54.72183	1.2
55.01841	1.4
55.70358	1.3
59.84652	1.3
67.05500	1.7
69.02206	9.7
69.02622	3.5
69.07066	3.5
71.59542	1.4
79.05496	4.1
81.07037	2.6
83.04971	3.1
91.05480	41.4
94.04192	3.0
95.04955	8.1
95.08607	2.0
98.23410	2.7
98.98463	51.0
99.04466	1.4
100.98922	1.5
103.05476	6.8
105.07021	6.8
107.04951	8.2
109.06527	4.8
111.04450	4.2
113.05969	1.5
115.05459	1.9
117.07006	1.9
119.04935	20.0
121.06512	7.3
122.03612	10.4
123.04419	1.5
123.08034	2.1
126.62276	1.5
128.06226	6.4
129.06996	19.6
131.04930	6.1
131.08620	2.2
133.06435	3.9
135.04398	1.7
135.08057	8.3
136.05203	4.3
137.05972	96.7
138.06320	4.4
141.09111	1.8
143.05005	1.3
145.06480	3.1
146.07274	1.9
147.04407	3.0
147.07932	1.9
148.05138	1.5
149.05984	17.2
149.09648	1.4
151.03960	3.1
151.07538	100.0
152.06186	3.3
152.07933	3.0
153.06940	3.9
155.07024	3.4
157.06499	13.4
161.05966	15.1
161.09570	3.4
163.07532	25.9
164.07925	1.4
165.06985	15.8
165.09151	6.2
166.07779	3.5
167.08540	18.8
168.05746	1.7
169.06520	2.9
173.08157	3.0
174.06784	7.1
175.07533	5.5
176.98959	4.0
177.06920	2.4
177.09108	2.5
178.07822	6.5
179.08432	3.5
181.05078	1.4
181.06519	6.0
182.07263	4.9
183.07910	1.5
187.07555	1.8
189.09094	34.0
192.09444	3.1
193.06461	8.3
193.10092	6.6
194.07251	5.2
195.08055	28.4
196.08505	2.3
197.05994	6.2
197.09631	2.6
199.07428	1.7
202.07840	2.1
203.08551	2.1
205.06560	1.6
206.07394	2.2
207.08165	2.3
207.10205	6.0
209.05986	2.7
209.09622	4.8
210.06732	9.8
211.07530	6.3
212.08250	4.5
213.05493	2.5
213.09018	1.9
217.10645	1.4
219.08104	3.2
220.08762	3.2
221.06001	8.1
221.09573	15.0
222.06693	1.5
223.07516	18.1
224.08223	6.0
225.05504	2.2
225.09105	11.2
226.09996	1.3
227.07071	3.5
227.10657	35.0
228.11212	1.5
237.09079	2.6
238.06216	5.4
238.09875	4.0
239.06996	4.3
239.10718	2.2
240.07747	4.5
241.08566	3.1
241.12219	2.6
249.09093	6.1
251.07254	1.5
252.07791	3.1
253.08626	18.0
253.12259	14.8
255.06671	2.5
255.07149	2.8
255.10149	32.6
256.10681	3.0
267.06915	1.6
267.10162	8.0
269.07999	3.9
269.11920	1.8
270.08978	2.3
271.09412	2.1
272.10565	2.6
281.11722	6.4
282.12186	1.8
284.10474	3.1
285.11209	20.0
287.12750	39.8
288.13132	3.3
298.11917	2.3
299.09076	2.8
299.12509	1.9
313.14316	13.8
331.11761	7.2
331.15329	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91050	1.2
55.01860	1.5
55.05494	1.5
65.03934	2.4
67.05521	1.5
69.14706	10.5
79.05481	3.7
81.07067	2.0
91.05482	32.6
94.04182	5.0
95.04977	8.1
98.98466	26.0
103.05456	5.0
105.07008	6.2
107.04959	8.1
107.45036	1.1
109.06499	4.5
115.05481	2.2
117.07059	2.7
119.04943	19.5
121.06500	6.5
122.03640	8.0
123.04459	2.2
125.05956	1.7
128.06229	6.0
129.07019	14.8
131.04929	7.9
131.08556	1.7
133.06496	3.0
135.04477	1.4
135.08031	5.8
136.05238	2.4
137.05972	84.9
138.06326	2.2
139.07477	1.5
143.04945	1.8
145.06494	3.9
147.04396	2.2
147.08029	1.2
148.05212	2.0
149.05992	16.1
151.03955	5.7
151.07542	100.0
152.06201	6.1
152.07884	3.8
153.06973	2.8
155.08609	1.9
157.06519	11.0
159.07973	1.8
161.06013	15.2
161.09561	2.5
162.06787	1.3
163.07530	23.0
165.07002	15.3
165.09119	5.1
166.07788	4.3
167.07182	2.7
167.08559	19.1
169.06516	3.4
174.06738	6.7
175.07527	3.6
176.98891	2.6
177.07004	2.4
177.09119	5.2
178.07690	7.1
179.07085	1.6
179.08586	3.2
181.06471	6.1
182.07243	4.2
183.07947	1.7
187.07555	1.5
189.09109	32.5
190.09470	1.6
191.08588	1.5
192.09322	2.3
193.06535	7.5
193.10100	7.2
194.07300	3.9
195.08046	23.3
195.09738	2.1
196.05232	1.4
196.08417	2.3
197.05942	7.3
199.07431	1.9
202.07729	1.8
203.08563	3.4
206.07205	2.5
207.04622	1.2
207.08293	1.1
207.10173	5.7
209.05901	1.5
209.09550	4.0
210.06747	8.9
211.07559	5.0
212.08295	6.2
213.08961	1.9
219.08119	2.3
221.06013	9.8
221.09584	13.3
223.07513	12.9
224.08298	4.5
225.05458	2.6
225.09113	10.4
227.07121	2.7
227.10655	26.8
228.10950	2.1
235.07567	1.8
237.05428	2.5
237.09041	5.8
238.06281	5.2
238.09995	2.1
239.06952	3.2
239.10645	2.7
240.07755	2.9
241.08537	3.0
241.12289	1.5
249.09154	6.0
252.07825	2.3
253.08531	13.5
253.12213	16.5
254.09264	1.5
254.12517	1.5
255.06773	2.4
255.10135	31.7
256.10590	1.5
263.10587	1.5
267.10181	8.6
269.08102	4.4
269.11661	1.8
270.08835	3.0
271.09616	1.3
271.13147	1.5
272.10507	3.4
281.09067	1.3
281.11719	8.9
284.10428	1.5
285.11227	23.0
286.11563	1.6
287.12766	41.8
288.13028	3.3
298.11957	1.7
299.09180	2.0
301.14328	2.3
313.14410	9.7
331.04373	1.5
331.07977	2.6
331.11667	3.0
331.15204	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.175
Annotation	Schizonepetoside C
Peak:m/z	Relative Intensity
50.56388	0.9
50.68872	0.9
52.04825	0.8
53.03937	0.9
53.75591	0.8
55.05510	1.8
57.07071	3.2
59.05001	2.2
67.05505	9.7
69.03421	2.4
69.07068	87.3
69.68029	2.2
69.68423	2.0
70.07420	1.5
71.04989	3.2
79.05489	2.9
79.92277	0.8
81.03430	1.4
81.07059	31.2
83.05005	1.1
83.08614	1.7
85.02915	2.7
85.06535	0.9
91.05479	1.6
93.07052	2.0
95.04961	2.2
95.08602	8.2
97.02875	0.9
97.06559	1.1
98.98476	7.6
105.07030	1.9
107.08591	3.6
109.06530	3.2
109.10162	12.2
113.06007	1.5
117.07026	1.3
119.08587	1.4
121.10146	0.8
123.08112	1.5
123.11707	100.0
124.12045	2.8
127.07560	1.3
127.19041	0.9
133.10178	1.7
137.30569	0.9
141.12712	1.2
145.10074	1.6
151.11180	30.7
169.12257	2.5
331.11969	1.8
331.22665	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1751
Annotation	1,1,5-Trimethyl-2-hydroxymethyl-(5)-cyclohexene-(4)-one-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03933	3.7
55.05519	8.1
57.03427	14.0
57.07077	5.2
59.04995	3.8
61.02938	6.3
64.42069	3.3
65.03930	3.7
67.05504	11.2
69.03429	31.9
69.07080	7.4
70.89830	4.2
70.90176	6.3
71.04990	5.9
74.93785	4.2
79.05500	10.5
81.03416	11.5
81.07061	49.2
83.04998	6.4
85.02917	27.7
91.05475	19.4
93.07050	31.1
95.04955	6.2
95.08614	28.1
97.02901	10.8
97.06549	8.6
98.98469	100.0
99.04487	7.6
100.98869	4.5
105.07031	14.1
107.04960	5.0
107.08596	90.8
108.08199	4.0
109.02887	6.5
109.06528	13.8
109.10159	42.6
111.08087	4.1
113.09631	13.1
119.08571	4.3
121.06541	4.8
123.08095	5.1
123.11706	79.4
123.12553	5.7
125.09658	7.9
127.03912	11.2
127.11217	7.5
133.10159	12.3
135.04510	5.2
135.11694	15.5
136.07585	4.9
137.05962	21.7
144.70708	4.4
145.04973	4.2
145.94380	3.4
149.06050	6.5
151.03885	10.0
151.07562	14.7
151.11195	64.8
153.12779	17.2
161.06009	14.9
169.08463	6.7
169.12251	40.0
176.98909	6.4
189.05550	13.0
211.07578	16.2
213.05437	4.8
218.45540	3.5
233.58412	4.1
239.07002	10.4
256.07352	5.0
267.06564	14.1
271.09805	5.2
279.65292	3.9
287.89148	4.1
299.09152	11.8
301.07217	4.3
313.11133	5.6
316.09500	6.2
331.12393	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2267
Annotation	16alpha-Hydroxyprogesterone
Peak:m/z	Relative Intensity
55.01857	1.5
55.05505	2.5
57.03418	1.3
67.05500	6.0
68.67808	1.1
69.03426	3.6
69.07071	6.2
71.30299	1.3
79.05477	13.3
81.07044	11.6
83.04964	5.8
85.06594	1.4
91.05479	8.9
93.07056	9.7
95.04938	2.1
95.08607	11.8
97.06531	100.0
98.06861	3.4
98.98457	13.0
101.37866	1.1
105.07036	11.1
107.08591	11.6
109.06519	62.3
109.10146	3.9
111.08102	3.0
117.07018	3.1
119.08557	8.7
121.06530	9.0
121.10142	6.6
123.08054	9.9
123.11689	4.0
129.06985	1.9
131.08546	9.0
133.10127	11.0
135.08041	9.8
135.11699	3.7
137.06024	1.4
137.09610	3.4
143.08534	4.0
145.10162	8.7
147.08038	4.3
147.11662	4.9
149.09639	5.1
149.13332	2.0
151.11201	1.6
153.06999	1.5
155.08562	2.9
157.10077	6.3
159.07947	1.3
159.11710	6.7
161.09641	4.0
161.13268	3.8
163.11209	2.4
169.10117	3.9
171.11702	6.9
173.09621	3.3
173.13252	3.5
175.11157	2.5
176.98976	1.6
177.12730	2.6
183.11679	3.8
185.09615	3.3
185.13226	4.6
187.11188	3.0
187.14787	2.6
189.12726	6.5
191.14339	2.1
195.11664	2.0
197.13226	2.0
199.14807	5.6
201.12700	2.9
203.14398	2.0
205.16061	1.6
209.13222	1.8
211.14851	2.8
213.12823	1.5
213.16478	1.4
217.10414	1.3
217.15782	6.1
223.14793	2.9
225.12639	1.1
229.15894	6.6
231.17361	1.5
239.14301	2.2
241.15863	3.1
253.19582	1.7
256.07501	1.4
267.21252	2.3
269.19067	3.6
271.20483	5.1
277.19394	3.0
287.20059	36.9
288.20276	1.9
295.20566	19.7
296.20853	2.1
313.21588	26.2
314.21881	3.6
331.11804	4.5
331.22665	80.1
332.23187	6.3
348.32874	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2631
Annotation	(7Z,10Z,13Z,16Z,19Z)-Docosa-7,10,13,16,19-pentaenoic acid
Peak:m/z	Relative Intensity
53.03944	2.8
54.27436	1.8
55.05507	26.5
57.07052	3.9
63.29979	2.0
65.03950	2.0
67.05178	3.2
67.05506	37.5
69.07071	33.0
69.66824	1.6
69.90646	5.0
69.91039	4.0
71.04993	2.9
71.08617	2.3
79.05489	30.7
81.06583	4.3
81.07056	74.4
83.04994	2.0
83.08620	17.1
85.06534	3.5
91.05477	25.1
93.06467	3.9
93.07048	70.9
94.07407	3.4
95.05008	3.4
95.08607	100.0
97.10183	5.3
98.98466	5.4
101.06027	3.5
105.07027	43.8
107.07852	4.0
107.08590	80.8
108.08896	3.6
109.06516	3.9
109.10161	43.9
110.10488	2.0
111.08060	2.2
111.11816	2.1
115.17514	1.9
117.06995	3.4
119.07776	3.9
119.08582	56.8
119.77314	1.7
121.06455	3.1
121.10144	74.2
121.11016	3.9
122.10494	2.5
123.08061	3.2
123.11700	24.6
127.07522	2.0
131.08569	9.1
133.06543	2.2
133.10133	35.4
134.10516	1.9
135.08090	8.7
135.11702	45.0
137.05882	1.9
137.09625	5.1
137.13231	7.3
139.07545	2.7
143.08588	3.4
145.10132	11.2
147.08066	7.0
147.11685	27.8
149.09647	4.6
149.13243	31.4
151.07535	2.2
151.14777	2.1
153.09120	6.5
157.10100	4.1
159.11671	9.0
161.09593	8.4
161.13275	26.9
163.11203	8.2
163.14841	9.4
165.09114	6.6
165.12761	2.8
167.07028	5.5
167.10699	6.6
171.11694	3.5
173.13258	6.4
173.92102	1.9
175.11201	5.7
175.14851	16.9
177.12750	4.3
177.16386	2.3
179.10620	11.0
179.14238	2.5
181.12236	19.8
187.14705	3.5
187.46249	1.8
189.12709	3.6
189.16420	13.3
193.12218	10.0
195.13834	12.3
197.13312	2.5
201.16292	2.5
203.17961	14.3
207.13782	9.4
209.15367	3.3
213.16353	2.0
215.17920	3.2
217.19554	3.1
221.15361	14.4
223.16904	4.3
235.16992	17.4
247.17003	2.3
249.18513	26.4
257.18945	2.3
261.18567	4.0
271.24307	1.9
275.20117	12.3
298.26569	2.1
313.25162	3.3
331.11554	2.9
331.26291	83.7
332.26682	6.4
351.85110	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.263
Annotation	(7Z,10Z,13Z,16Z,19Z)-Docosa-7,10,13,16,19-pentaenoic acid
Peak:m/z	Relative Intensity
53.03950	1.7
55.05513	30.5
57.07074	4.7
67.05508	15.9
69.07066	28.0
69.22196	7.7
71.04993	2.5
74.11399	1.4
79.05506	5.8
81.07056	30.7
83.04967	1.9
83.08621	20.3
85.06541	3.7
87.04475	1.4
91.05448	7.0
93.07042	17.4
95.04953	1.3
95.08607	47.3
97.06542	3.6
97.10168	25.3
98.98458	3.8
99.04458	4.8
101.06018	4.2
105.07034	21.9
107.08592	25.1
109.06546	2.1
109.10153	30.6
111.11686	1.5
113.05989	2.3
115.07552	2.2
117.07000	2.7
119.08573	30.8
121.10141	21.6
123.08076	4.1
123.11704	14.2
125.09661	1.8
127.07552	1.7
131.08542	6.6
133.10139	23.0
133.11070	2.3
135.08081	1.3
135.11681	15.9
137.09628	2.0
137.13252	4.3
138.97401	1.1
141.09073	1.5
143.08571	3.1
143.10625	1.3
145.10115	10.8
147.08089	2.3
147.11688	20.0
149.09650	2.7
149.13251	11.4
153.09105	3.3
155.08461	2.4
157.10173	1.2
157.42378	1.2
159.11690	9.0
161.09621	4.5
161.13269	19.8
162.55902	1.2
163.14804	5.8
165.09184	2.2
166.19029	1.4
167.10710	2.6
169.10121	2.0
171.11699	2.3
173.09657	4.8
173.13271	6.5
175.11174	2.8
175.14827	15.8
177.16377	4.5
179.10725	5.3
181.12192	6.0
183.11734	2.5
187.14810	7.8
189.12834	1.7
189.16365	18.4
191.10765	2.8
193.12256	3.5
195.13791	4.5
197.13347	1.8
199.14845	2.5
201.12837	2.4
201.16415	4.0
203.14386	1.7
203.17957	13.4
205.12248	1.4
207.13739	6.6
207.46764	1.4
209.15332	2.5
211.14828	3.3
213.16460	1.6
215.14368	2.3
217.15993	1.8
217.19518	7.4
219.13727	1.3
221.15370	7.0
223.17038	2.5
229.15858	5.2
231.21039	5.5
233.15276	7.8
235.16924	21.3
237.36603	1.1
239.18134	1.9
243.17520	2.6
247.16953	23.2
249.18495	15.0
253.65588	1.3
257.18961	1.5
261.18460	17.2
271.24197	3.0
275.20074	11.8
289.21689	3.1
313.25113	2.7
331.11691	2.1
331.23111	3.6
331.26315	100.0
332.26529	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	32.0
57.07071	5.9
67.05496	21.0
69.07069	29.7
69.13197	3.3
69.13596	12.2
71.04962	1.9
71.08611	1.8
75.18896	2.1
79.05489	12.2
81.07050	34.0
83.04947	2.5
83.08607	23.1
85.06547	3.8
87.04453	2.1
91.05468	11.8
93.07034	18.6
94.43620	1.8
95.08602	48.4
96.08929	2.0
97.06554	2.7
97.10166	21.9
98.23351	4.3
98.98463	7.3
99.04440	4.7
101.06030	6.1
105.07017	25.2
107.08588	33.0
109.06531	2.4
109.10152	31.4
111.11717	2.8
117.07041	3.5
119.08590	39.3
121.10114	23.6
123.08118	2.1
123.11711	14.6
131.07738	2.3
131.08525	12.5
133.10123	26.0
135.11702	12.9
137.13292	4.2
143.10783	2.3
145.10120	14.3
147.11681	20.0
149.09654	2.1
149.13255	14.0
159.11693	8.8
161.09618	5.4
161.13216	17.8
163.11288	2.3
163.14822	6.5
165.09056	2.1
167.10698	5.0
169.10118	2.4
173.09631	4.1
173.13199	9.4
175.11143	3.0
175.14819	11.8
177.12785	2.5
177.16380	2.6
179.10800	3.2
181.12213	5.3
183.11697	2.0
187.11169	2.7
187.14828	7.6
189.16368	19.3
191.10654	2.5
193.12218	3.6
195.13840	4.9
197.13242	2.7
201.16388	2.4
203.17915	13.4
207.13945	4.1
211.14758	2.8
215.18130	2.8
217.19519	8.6
221.15378	5.4
223.16899	3.9
227.18057	2.0
229.15855	6.9
231.21095	5.7
233.15480	4.2
235.16951	19.7
243.17575	2.0
247.16954	25.0
249.18486	15.6
261.18457	17.2
271.24481	1.9
275.19913	11.0
289.21704	4.3
310.38559	1.9
313.25314	3.3
331.12033	1.9
331.26297	100.0
332.26581	7.8
351.76877	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.284
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
50.07889	1.4
51.36114	1.5
55.05515	13.2
56.64396	1.9
57.03432	6.9
57.07075	100.0
67.05505	27.1
68.09235	1.5
69.07063	20.7
69.13653	12.6
70.06599	1.9
71.08631	76.1
75.04459	3.0
79.05484	3.0
80.04006	1.5
81.07059	45.2
83.08617	28.9
85.06496	1.6
85.10183	37.4
89.06039	3.0
91.05492	2.0
93.07044	5.9
95.08607	58.2
96.08949	1.7
97.10144	13.3
98.98463	13.5
99.11777	2.9
105.07012	3.6
107.08565	4.1
109.10160	27.3
110.10419	2.3
111.11707	3.2
117.07037	2.6
119.08589	3.4
120.56482	1.6
121.10139	5.7
123.11714	12.9
125.13259	2.7
127.24483	1.7
133.10092	3.1
135.11714	1.9
137.13234	3.8
139.14906	2.0
143.08534	1.7
147.11646	2.7
147.91302	1.5
149.13214	1.7
156.87971	1.9
165.16422	2.4
219.13791	1.7
221.13225	1.8
221.22549	2.0
239.23697	13.5
257.24750	6.4
261.16306	1.8
289.19641	2.1
313.27350	52.6
314.27719	5.5
317.10065	2.1
331.20609	5.7
331.24124	4.6
331.33981	19.0
332.25006	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.284
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05517	11.8
57.03437	8.9
57.07077	100.0
58.06590	3.4
58.07346	2.0
63.02245	2.4
67.05505	27.4
69.06380	13.8
69.07072	19.4
70.06583	3.5
71.08634	71.4
72.08932	2.7
75.04478	3.4
81.07057	33.7
83.08613	24.0
85.10184	38.4
88.07626	8.2
89.07923	2.6
91.05476	8.9
94.22993	2.2
95.08612	59.3
97.10180	11.6
98.23298	4.0
98.98466	14.6
99.11728	2.9
105.06961	2.1
106.08678	3.0
109.10157	25.4
111.11730	2.9
113.13296	2.4
121.10169	2.0
123.11675	11.6
125.13265	4.7
130.50259	2.4
137.13289	6.0
144.23000	2.2
177.22513	2.1
239.23706	21.7
253.44673	2.2
257.24716	8.0
313.27341	59.3
313.32983	4.1
314.27509	3.3
331.20459	6.1
331.24268	7.4
331.34015	56.0
332.33850	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	10.2
56.88997	1.7
57.03437	7.5
57.07076	98.7
58.07404	3.5
58.52902	1.3
62.85635	1.3
67.05504	25.3
69.07066	18.3
70.06599	11.0
71.06918	3.5
71.08631	68.5
72.08958	1.9
74.06094	1.8
75.04469	3.3
76.15602	1.3
76.18620	1.4
81.07056	35.5
81.83779	1.5
82.07372	1.4
83.08620	21.6
83.70174	1.6
85.10181	34.6
87.09244	1.5
88.07632	13.8
89.06017	1.4
89.07941	3.6
91.05482	2.6
93.07024	2.0
95.08602	47.9
97.10171	11.8
98.98466	16.1
99.11736	2.0
99.55975	1.4
102.09174	3.1
106.08665	6.4
109.10146	22.9
111.11718	1.9
123.11699	10.4
125.13309	2.2
137.13208	4.4
151.14896	1.8
153.07021	1.8
159.11687	1.4
165.16344	1.6
211.07600	2.0
239.07004	1.9
239.23691	15.3
241.05023	1.9
256.07169	1.7
257.24762	8.0
267.06525	3.0
273.06955	1.9
299.09003	4.6
301.07016	3.1
313.27393	43.4
313.33063	4.3
314.27441	2.6
316.08875	5.9
317.10065	2.5
331.11575	12.9
331.16898	2.2
331.20551	6.4
331.33978	100.0
332.12085	2.3
332.34390	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45945	0.1
55.01861	0.2
68.99801	0.1
71.31362	0.2
81.07066	0.2
91.05439	0.2
98.98496	0.2
115.05456	0.3
128.06201	0.3
129.06990	0.2
130.12148	0.1
139.05423	0.3
140.06206	0.3
141.06972	1.0
143.04889	0.2
144.05670	0.2
145.06487	0.2
152.06178	0.6
153.06960	0.8
154.07683	0.2
155.04904	0.6
155.06000	0.1
155.08546	0.4
156.05627	0.3
157.06453	0.8
158.07231	0.4
159.08150	0.2
163.03870	0.3
165.06966	0.6
167.04922	0.4
167.08583	0.2
168.05698	1.7
169.05115	0.2
169.06473	3.5
170.07259	0.6
171.04424	1.0
171.08109	0.6
172.05170	0.5
172.08496	0.2
173.05898	0.2
174.06741	0.2
175.07562	0.3
178.06242	1.4
178.97575	0.1
179.04823	0.1
179.06619	0.1
180.05693	0.2
181.06470	1.3
182.03639	0.2
182.07263	0.6
183.04437	1.4
183.08008	1.9
184.05196	1.5
184.08772	0.5
185.05951	2.4
185.09607	0.1
186.06725	1.6
187.07573	0.7
188.04597	0.2
189.05435	0.2
193.06465	0.2
194.07286	0.2
195.04366	0.4
195.08026	0.5
196.05191	3.4
197.05972	5.9
198.06729	3.4
199.03885	3.0
199.07515	2.4
200.04663	0.9
200.08090	0.5
201.05498	0.8
201.09106	0.8
202.06213	0.5
203.07039	0.7
205.08484	0.2
208.05127	0.4
209.05838	0.6
210.03172	0.2
210.06741	1.4
211.03925	1.1
211.07515	3.6
212.04688	1.7
212.08263	2.3
213.02217	0.2
213.05453	6.7
213.08919	1.7
214.06216	6.5
214.09358	0.2
215.03444	0.3
215.06982	2.9
215.10635	0.4
216.04143	1.7
216.07484	0.3
217.04834	0.2
217.08524	0.3
219.08185	0.1
223.03954	0.3
223.07564	0.3
224.04677	3.3
225.05424	4.9
225.08931	0.2
226.02744	0.3
226.06210	3.5
227.03395	5.1
227.06927	3.7
228.04205	1.5
228.07713	3.6
229.05006	4.2
229.08557	7.3
230.05527	0.7
230.08990	0.3
231.06502	5.5
232.07127	0.4
237.05406	0.4
238.06216	1.3
239.03313	0.3
239.04510	0.2
239.06995	3.3
240.04076	0.5
240.07782	8.9
241.04916	7.1
241.08565	3.4
242.05711	8.2
242.09300	0.5
243.06505	16.8
243.09990	0.7
244.03667	0.6
244.07104	1.8
245.04341	0.7
245.08020	1.0
246.08826	0.6
247.07483	0.2
250.06233	0.8
251.06714	0.1
252.04265	0.8
253.04942	1.9
253.07703	0.2
253.08647	0.2
254.01941	0.2
254.03122	0.2
254.05757	1.7
255.02887	1.5
255.06493	2.1
256.03757	0.6
256.07193	6.0
257.04419	1.8
257.08063	14.8
258.05338	0.4
258.08813	8.4
259.06000	13.3
259.09097	0.6
260.06512	1.2
261.11200	0.3
266.05576	0.4
267.06491	5.5
268.07248	3.3
269.04437	3.5
269.08002	1.8
270.05228	4.9
270.08548	0.5
271.06003	7.5
271.09564	4.3
272.03174	1.3
272.06702	2.5
272.10071	0.4
273.03900	0.4
273.07520	1.5
273.11047	0.3
274.08289	8.4
275.09100	1.0
283.05991	0.3
284.06747	4.3
285.07541	10.6
286.08301	11.8
287.05472	9.8
287.09018	3.6
288.06091	1.4
288.09726	0.9
289.10669	4.7
290.05811	0.2
290.11102	0.2
299.09094	6.1
300.06174	0.2
300.09503	0.9
301.10669	21.6
302.07843	19.7
302.11261	3.0
303.08572	6.0
305.08051	0.2
316.09387	0.4
317.10156	56.0
318.10889	20.3
332.12479	100.0
333.07629	1.3
333.12894	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01878	0.7
57.03439	1.9
61.02932	2.9
65.03933	1.2
67.05519	2.4
69.03435	7.4
69.55611	2.0
69.66262	0.4
73.02932	2.3
79.05496	1.1
81.02989	0.5
81.03419	2.3
81.07063	1.4
83.04961	0.5
85.02911	9.0
87.04448	1.4
91.03954	0.8
93.05788	0.5
95.04958	0.5
96.08123	0.7
97.02907	3.8
99.04445	1.0
101.02431	0.5
106.06561	5.0
108.08122	100.0
109.02885	1.3
109.08461	2.4
110.43317	0.5
110.74682	0.5
119.01834	0.4
122.06075	0.4
123.06810	4.5
124.07603	17.3
125.07949	0.7
127.03925	1.4
134.06030	12.3
134.07079	0.6
136.07584	13.0
152.07079	70.9
153.07419	2.3
154.08670	1.7
161.05571	0.6
170.08122	9.2
170.09496	0.5
197.02933	0.5
198.03198	0.8
221.05052	0.7
260.06671	0.5
288.06299	0.5
299.84219	0.5
314.12354	38.7
315.12790	2.0
321.10452	1.2
332.13483	46.4
333.05975	1.5
333.09860	1.0
333.13846	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09674	0.4
53.03946	0.9
57.03429	1.6
61.02921	2.1
65.03935	1.0
67.05501	2.8
69.03083	0.5
69.03430	6.2
71.16657	0.7
73.02902	1.5
75.71906	0.4
79.05500	1.4
81.03408	1.4
81.07047	1.0
85.02903	6.9
87.04457	1.4
92.05015	0.6
93.05796	0.9
96.08114	0.9
97.02883	2.1
98.98494	0.5
106.06563	4.2
106.54044	0.4
108.08118	100.0
109.02879	0.8
109.08442	2.1
123.06808	3.8
124.07591	15.1
127.03913	1.8
134.06013	10.1
134.06964	0.9
136.07576	13.9
137.08374	0.9
152.07066	63.4
153.07416	1.9
154.08623	1.2
170.08142	5.3
172.41040	0.4
173.63826	0.4
181.20418	0.5
194.59470	0.4
260.32062	0.5
309.11462	0.4
314.12338	37.0
315.12769	2.7
332.13397	48.0
333.13773	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.134
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03946	0.9
54.92654	0.3
57.03433	1.8
61.02933	2.4
65.03934	1.0
67.05503	2.6
69.03427	6.2
70.70430	0.9
71.04979	0.5
72.10172	0.3
73.02932	1.8
79.05494	1.5
81.03419	1.9
81.07037	1.1
85.02905	6.8
87.04448	1.0
91.03964	0.6
92.04989	0.4
93.05792	1.0
96.08151	0.6
97.02888	3.2
99.04453	0.7
106.06554	4.7
108.08116	100.0
109.02888	0.8
109.08453	2.8
122.05991	0.4
123.06801	4.2
124.07596	17.1
125.07928	0.7
127.03928	1.4
134.06009	9.6
134.06958	0.7
136.06775	0.2
136.07570	13.0
152.07066	64.7
153.07407	2.0
154.08611	1.9
170.08127	7.1
210.00249	0.4
212.24837	0.4
239.33792	0.4
247.51183	0.4
249.32780	0.4
314.12329	35.7
315.12595	1.3
332.13382	46.9
333.13721	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77029	3.6
55.01858	6.5
55.05525	7.9
65.03932	8.7
67.05514	7.8
69.03429	14.7
71.04998	7.1
79.05498	10.9
81.07054	7.0
82.11327	4.2
83.04980	19.5
85.02900	37.2
86.09719	13.2
91.05497	12.3
93.03395	6.7
93.07045	15.3
95.04960	15.8
95.08594	7.9
97.02884	11.2
97.06541	27.3
98.22552	8.4
98.98464	28.8
99.04477	7.8
105.07020	14.6
107.04955	7.6
107.08598	18.8
108.08112	79.2
109.02876	8.2
109.06544	23.3
111.04459	10.6
111.08082	6.1
119.04956	7.2
119.08591	10.1
121.02802	4.4
121.06532	6.4
121.10139	6.3
123.04409	5.1
123.08071	7.2
124.07594	13.6
125.06011	35.0
127.03921	10.6
131.08531	9.9
133.06479	7.9
134.06056	10.7
135.08063	16.4
136.07578	12.9
137.05962	15.6
139.03929	15.0
142.07811	4.4
145.04979	5.0
145.10136	12.8
147.08029	13.0
149.09601	10.4
151.07550	10.3
152.07057	55.2
153.09119	9.3
155.07059	4.7
159.08084	14.6
159.11653	6.8
160.08682	4.6
161.06100	5.5
161.09621	5.2
163.07556	4.5
163.11270	4.4
163.24423	4.1
165.09096	14.8
170.05431	4.3
170.08171	10.3
171.06519	4.3
172.08839	8.1
173.09633	21.9
175.07581	19.2
177.09111	8.7
182.89064	4.1
185.09547	5.5
187.11142	13.0
189.12677	3.9
201.09123	11.4
203.10738	5.1
215.10719	25.2
219.10197	16.4
221.08081	18.2
233.11678	23.3
235.13324	15.1
237.11229	6.1
243.10117	5.6
251.12726	7.5
261.11209	24.4
279.12277	100.0
280.12680	4.8
287.11227	4.8
297.13330	55.5
314.12390	36.1
332.13556	45.5
333.11398	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.7
55.01873	2.3
57.03427	3.7
57.07058	2.1
57.81736	2.1
58.06340	1.8
61.02915	8.2
66.46365	1.8
67.05502	4.9
69.03430	12.8
69.79263	9.0
70.06575	3.4
71.04993	100.0
73.02914	3.0
74.51918	2.0
79.05501	4.1
81.03417	5.1
81.07056	34.2
83.08626	4.1
84.06800	1.8
84.08136	10.0
85.02900	70.7
85.06543	29.7
91.03941	3.9
91.05492	3.7
93.07030	18.2
95.08601	5.3
97.02895	21.4
98.98470	3.7
99.04461	4.6
107.08591	10.2
109.02869	5.2
118.75544	2.0
127.03893	18.3
133.04997	2.7
135.11705	12.6
137.13258	8.6
145.04947	31.7
153.38728	2.0
163.06021	12.0
196.34746	2.2
203.53320	2.3
266.49051	1.9
327.59671	2.2
332.13345	4.3
348.02072	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0604
Annotation	Allopatuletin
Peak:m/z	Relative Intensity
55.01878	0.4
65.03932	0.3
67.01901	0.2
68.99783	1.3
69.08867	1.7
71.04987	0.6
81.03414	0.8
81.07045	0.3
85.02927	0.4
93.07050	0.6
93.89867	0.2
95.08595	0.3
102.23917	0.2
105.03344	0.3
107.08602	0.3
108.02085	1.3
109.02872	3.0
111.00806	1.0
111.04412	0.2
115.05481	0.2
121.02873	0.5
123.04427	0.6
126.03107	0.3
133.02802	0.2
135.11705	0.4
137.02328	1.7
138.03143	0.4
139.03897	1.9
143.05762	0.2
144.71587	0.2
145.05002	0.2
147.04431	0.3
151.03905	0.2
152.01056	0.4
153.01822	12.6
153.10347	0.2
154.02351	0.2
161.05977	0.3
165.01846	1.9
166.02585	1.1
167.03424	1.7
167.07050	0.4
171.04362	0.3
175.03957	0.2
177.05498	0.4
178.02525	0.2
179.03421	1.0
183.02850	0.6
188.04686	0.3
189.05455	0.7
191.03342	0.4
192.04150	0.5
193.05003	0.6
194.02110	0.2
203.03406	0.8
204.04132	0.4
205.04929	1.9
206.05731	2.4
208.03658	3.5
208.05553	0.3
209.04182	0.2
210.01616	0.4
213.05380	0.2
216.04109	1.3
217.04938	3.7
218.02023	0.3
219.02875	14.8
220.03468	0.8
229.04892	0.3
231.06570	0.3
232.03708	0.4
233.04437	6.9
234.01604	0.4
234.05156	2.0
241.04974	0.4
243.02916	2.0
244.03676	4.3
245.04431	5.5
246.04832	0.4
247.02309	1.2
247.72491	0.2
249.04192	0.3
255.02882	0.5
259.05972	1.0
261.03915	3.3
262.04697	0.8
272.03149	0.9
273.03903	4.0
274.04449	0.3
277.07089	0.8
283.02292	0.2
287.05399	1.0
289.03409	5.4
290.04138	5.2
300.02600	0.8
301.03406	8.8
302.03830	0.5
304.05753	0.5
315.04810	0.2
317.02872	0.3
318.03680	37.0
319.03989	2.5
333.06015	100.0
334.06335	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0603
Annotation	Quercetagetin 4'-methyl ether
Peak:m/z	Relative Intensity
53.03936	0.3
55.05499	0.3
57.03419	0.5
57.07054	1.0
58.54302	0.2
61.02901	0.3
67.05489	0.4
68.99792	0.6
69.03419	1.6
69.07043	0.8
70.32738	0.9
71.04968	1.0
79.05494	0.6
81.03394	1.1
81.07052	0.6
81.35262	0.3
83.04975	0.4
85.02480	0.3
85.02898	2.8
85.06516	0.8
85.57317	0.3
91.05461	0.6
93.07032	0.8
95.04951	0.3
95.08590	0.6
97.02865	0.8
97.06490	0.4
98.98447	0.8
99.04410	0.4
105.07002	0.6
107.08582	0.5
108.02084	1.7
109.02891	4.7
109.10121	0.6
111.00792	0.5
111.11673	0.3
119.08549	0.4
121.02889	0.4
121.06386	0.3
121.10150	0.2
123.04363	0.3
124.01512	0.3
126.03082	0.3
127.03886	0.8
127.11167	1.2
131.08551	0.6
135.11679	0.5
137.02327	1.8
137.05956	1.1
138.03140	0.6
145.10088	0.4
151.03882	0.3
152.00987	0.3
153.01822	12.7
153.12726	1.0
157.10124	0.4
159.11667	0.4
161.09590	0.5
165.01862	0.7
166.02609	1.3
167.03398	0.4
167.07045	0.7
170.02061	0.3
171.13812	2.5
177.05481	0.4
179.03365	0.9
180.04008	0.3
188.04596	0.4
189.05388	0.4
189.09001	0.3
191.03380	0.7
192.04144	0.7
193.08696	0.3
203.03360	0.4
205.04942	2.4
206.05733	3.2
208.03658	4.0
210.01614	0.3
216.04156	1.5
217.04933	1.7
219.02885	20.0
220.03242	1.3
221.04410	0.3
227.03488	0.3
229.12265	0.7
231.02748	0.3
232.03670	0.7
233.04436	9.1
234.01604	0.3
234.05199	3.3
243.02855	3.1
244.03661	5.4
245.04445	3.9
247.02376	2.1
261.03934	4.4
262.04648	1.6
272.03076	0.7
273.03964	1.7
287.05338	0.5
289.00302	0.5
289.03415	6.0
290.04187	7.2
291.04315	0.4
300.02728	0.7
301.03391	7.0
302.03699	0.4
305.63412	0.3
317.02921	0.4
318.03683	65.2
319.04004	2.9
333.06024	100.0
334.06351	5.9
334.16403	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0604
Annotation	Quercetagetin 3-methyl ether
Peak:m/z	Relative Intensity
55.05518	0.5
57.03439	0.4
57.38148	0.3
61.02912	0.5
65.03947	0.6
67.05497	0.7
69.03434	0.9
69.07064	0.6
71.04987	0.5
77.83369	0.3
79.05518	0.6
81.03423	1.3
81.07068	0.6
81.35287	0.6
83.04987	0.7
85.02911	4.0
85.97027	0.3
89.54536	0.3
91.05472	1.2
93.07052	2.4
95.04973	0.4
95.08611	2.0
97.02901	1.1
98.98477	0.5
100.23117	0.3
105.07021	0.7
107.08601	3.7
108.02095	1.8
109.02879	4.2
109.10169	0.5
111.00740	0.4
111.04436	0.4
119.04928	0.4
119.08586	0.5
121.06520	0.6
126.03142	0.5
127.03871	0.8
135.08017	0.4
135.11682	4.3
137.02344	1.4
137.05994	1.1
145.04977	0.7
149.05905	0.5
151.07501	0.6
152.01102	0.5
152.07848	0.4
153.01831	12.2
153.12752	2.9
161.05949	0.4
165.01848	0.9
166.02655	0.6
167.03424	0.6
167.07063	0.4
171.13802	0.7
173.12915	0.4
176.41963	0.3
179.03448	1.1
188.04724	0.4
190.09438	0.4
191.03429	0.8
192.04146	0.7
193.04942	0.4
196.08333	0.4
203.03355	0.6
205.04944	2.9
206.05740	3.5
208.03661	4.3
210.01732	0.4
216.04225	1.3
217.04965	1.8
218.02153	0.5
219.02888	20.0
220.03464	1.0
232.03610	0.6
233.04459	9.8
234.01524	0.5
234.05202	3.2
243.02892	3.9
244.03641	5.4
245.04433	4.2
247.02345	1.7
261.03955	4.2
262.04749	0.9
272.03268	0.5
273.03848	1.9
287.05243	0.4
289.03452	5.8
290.04227	7.7
300.02689	1.0
301.03439	7.1
301.11826	2.0
302.03793	0.4
318.03696	63.9
319.04050	4.1
333.06030	100.0
334.06354	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0603
Annotation	Quercetagetin 4'-methyl ether
Peak:m/z	Relative Intensity
51.32096	0.2
51.68796	0.2
53.03938	0.3
55.01871	0.5
64.59818	0.2
64.80634	0.2
65.03929	0.3
66.16756	0.2
67.05508	0.3
68.99786	0.6
69.03425	0.5
71.29163	0.3
71.34953	0.2
73.35728	0.2
77.14886	0.2
78.89498	0.2
79.05486	0.3
81.03422	1.2
81.07060	0.3
81.35262	0.4
85.02904	0.3
91.05455	0.5
93.07026	0.4
95.04971	0.4
97.02852	0.3
98.98466	0.4
105.07027	1.3
107.08617	0.4
108.02098	1.4
109.02881	4.4
109.06483	0.3
109.10152	0.5
111.00778	0.6
111.04465	0.2
119.04946	0.2
119.08531	0.3
121.02883	0.4
123.04443	0.4
126.03139	0.5
127.03943	0.5
133.10101	0.7
135.11696	0.3
136.01572	0.3
137.02335	1.9
137.06024	0.2
137.45694	0.2
138.03091	0.5
143.08522	0.3
145.10051	0.3
147.01749	0.2
149.09543	0.2
152.00969	0.4
153.01813	11.8
154.02242	0.2
160.05179	0.3
161.09612	0.7
162.05457	0.5
163.03880	0.4
165.01833	0.8
166.02586	1.1
167.03407	0.5
170.02162	0.3
177.05443	0.5
178.02690	0.3
179.03418	1.1
180.04059	0.2
182.12752	0.2
187.03877	0.3
188.04585	0.3
189.05453	0.3
189.09137	0.5
191.03349	0.6
192.04144	0.6
194.02052	0.5
203.03323	1.1
204.04300	0.3
205.04958	2.7
206.05736	3.4
207.02806	0.3
208.03662	4.5
210.01532	0.5
213.10158	0.3
216.04175	1.7
217.04941	1.7
218.02092	0.3
219.02875	20.6
220.03366	1.0
220.12492	0.2
221.04562	0.3
232.03676	0.9
233.04434	10.1
234.01620	0.5
234.05142	2.8
243.02882	3.0
244.03662	5.4
245.04417	3.7
247.02345	1.7
259.06168	0.4
261.03928	4.8
262.04620	1.2
271.02417	0.2
272.03146	0.6
273.03873	2.1
277.07001	0.3
287.05493	0.3
289.03415	6.1
290.04169	6.3
291.04553	0.5
300.02695	0.9
301.03397	7.7
302.03955	0.6
302.17139	0.3
315.09354	0.3
315.13242	0.5
317.02734	0.5
318.03674	66.1
319.03979	4.0
333.06012	100.0
334.06342	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0604
Annotation	Laricitrin
Peak:m/z	Relative Intensity
55.01884	0.5
55.05513	0.5
57.07062	0.4
65.03941	0.3
67.01875	0.3
67.05489	1.0
67.13653	0.4
68.99791	0.9
69.03428	1.0
69.07058	0.8
69.80175	1.4
71.04998	0.9
72.01789	0.3
79.05482	1.2
81.03408	1.4
81.07044	1.6
81.35282	0.5
85.02901	1.3
87.03203	0.3
89.47054	0.3
91.05478	0.9
92.13927	0.4
93.07034	2.1
95.04980	0.4
95.08615	1.1
97.02879	0.8
98.98461	1.3
105.07034	1.7
107.08609	1.7
108.00988	0.4
108.02091	1.5
109.02892	3.9
109.06555	0.6
109.10150	0.8
111.00801	0.4
119.08567	0.8
121.02885	0.4
121.10137	0.8
122.03622	0.4
123.08092	0.4
126.03111	0.5
127.03906	0.8
127.11269	0.4
129.06979	0.6
131.08557	0.7
133.10155	0.7
135.11696	1.1
137.02359	2.0
137.05978	1.6
138.03169	0.6
139.03897	0.4
142.07625	0.4
145.10141	0.8
147.08118	0.4
147.11658	0.5
152.01067	0.4
153.01826	12.5
153.12714	2.2
156.09329	0.4
157.10129	0.6
161.02411	0.4
161.09662	0.7
163.03944	0.5
165.01807	0.9
166.02570	0.7
167.03445	0.5
167.07001	1.4
171.11684	0.4
171.13821	1.0
177.05476	0.6
179.03386	1.2
183.11705	0.4
192.04170	0.4
203.03342	0.4
205.05026	2.4
206.05708	3.3
207.10361	0.3
208.01930	0.6
208.03687	5.3
208.21814	0.3
213.16473	0.7
216.04132	1.4
217.04892	2.1
219.02885	19.3
220.03433	1.2
231.17517	0.4
232.03650	0.7
233.04460	9.8
234.01717	0.5
234.05219	3.1
243.02953	2.9
244.03706	5.0
245.04431	4.3
247.02399	2.0
249.18539	0.8
259.05826	0.6
261.03918	3.9
262.04681	1.3
272.03131	0.7
273.03940	2.4
287.05511	0.6
289.03464	5.6
290.04214	7.2
291.04749	0.4
297.21918	0.8
300.02530	0.8
301.03445	7.5
302.04050	0.6
317.02872	0.9
318.03702	61.9
319.04105	3.5
333.06042	100.0
333.24118	0.7
334.06400	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79821	4.7
56.96555	10.7
67.05509	9.1
69.03437	9.6
79.05482	6.9
81.03416	7.1
82.98445	5.6
85.02905	13.4
95.08589	6.0
97.02881	10.8
98.97589	19.7
98.98467	19.3
107.08591	8.7
116.98612	4.9
123.04434	11.1
135.04366	5.7
137.05972	6.3
139.79889	5.8
154.21588	5.8
157.74472	5.8
172.09680	7.6
177.50717	4.9
179.04138	6.0
186.62885	5.9
192.88126	6.0
197.07126	5.8
237.02753	6.0
281.89584	5.2
315.13397	5.9
333.09293	58.4
333.15109	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0968
Annotation	Dulcisxanthone C
Peak:m/z	Relative Intensity
53.56580	0.3
55.05512	0.4
59.93869	0.3
60.27526	0.2
67.05498	0.9
69.03464	0.6
69.07060	0.6
69.35595	1.9
79.05482	0.9
79.38337	0.3
81.07063	2.1
83.04958	0.4
85.02929	0.4
91.05478	1.7
91.59053	0.3
93.07076	1.4
95.04963	0.4
95.08626	0.9
98.98497	1.7
105.07037	1.2
107.08588	1.1
109.06508	0.3
109.10146	0.8
111.14789	0.3
115.05486	0.5
117.06966	0.6
119.08576	0.6
121.10174	0.7
123.04483	0.4
123.08110	0.4
125.05952	0.3
128.06267	0.6
131.04956	0.5
131.08586	0.6
133.10117	0.5
135.07999	0.4
135.11681	0.6
136.85320	0.3
141.06993	0.8
142.07837	0.3
143.08621	0.4
145.06467	1.5
145.10138	0.9
149.09581	0.5
150.99149	0.3
151.07620	0.5
153.06987	0.3
155.04945	1.3
155.08536	0.4
157.06523	0.4
157.10181	0.7
159.04462	0.7
159.08073	0.6
159.11679	0.3
161.05893	0.3
168.05708	0.4
169.06505	0.8
171.04391	0.8
171.11716	0.4
173.05994	2.5
177.05463	0.8
181.06598	0.3
183.04428	2.1
184.05212	0.8
185.06015	0.9
185.09641	0.4
186.03146	0.7
187.03937	1.0
187.07559	0.8
188.08243	0.3
196.05148	0.4
197.06047	1.1
198.06801	1.2
199.03931	1.2
199.07574	0.3
200.04710	0.7
201.05484	4.7
204.04237	1.2
211.03914	2.0
212.04678	0.7
213.01900	0.3
213.05446	1.5
214.02631	2.2
214.06229	0.5
215.03462	2.6
215.07059	1.2
216.04254	0.6
216.07841	0.7
219.06532	0.9
223.03975	0.3
225.01910	0.7
225.05470	1.6
226.06232	1.8
227.03448	1.0
227.07013	0.7
228.04240	1.4
229.04964	8.7
230.02219	0.4
230.05675	1.9
232.03671	5.7
239.03406	1.4
240.04137	0.9
241.04893	1.6
242.02066	1.2
242.05844	0.5
243.02888	4.1
243.06549	6.7
244.03696	1.0
244.07262	1.9
245.04456	0.8
247.06015	1.9
253.04997	1.1
254.05772	1.2
255.02971	0.7
256.03671	1.3
257.04453	21.1
258.04977	2.2
259.02472	0.4
259.05951	0.9
260.03192	4.4
261.03787	0.5
267.03003	2.2
268.03537	0.8
269.04443	2.9
270.01700	3.4
270.04666	0.7
271.02435	2.8
271.06036	7.4
272.03580	0.4
272.06735	3.3
273.04013	0.8
273.07611	1.0
274.04749	2.4
274.07599	0.4
275.02444	0.7
275.05505	13.1
276.05936	0.8
282.05234	2.8
283.05936	0.5
285.03940	18.7
286.04376	1.9
287.05542	2.4
288.02646	6.2
288.05774	0.7
289.07108	3.8
290.07803	0.4
299.05579	0.8
300.06290	12.9
301.06958	3.3
302.07739	1.9
303.04987	35.7
304.05374	2.0
315.23148	0.6
317.06619	0.4
318.07346	37.1
319.07700	2.0
333.09702	100.0
333.21365	2.7
334.10068	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1332
Annotation	Catechin 5,7,3'-trimethyl ether
Peak:m/z	Relative Intensity
55.01862	2.8
69.20036	12.7
71.04979	2.4
78.04716	2.9
79.05479	3.8
81.07050	3.4
85.02902	4.1
91.05463	4.3
93.07023	3.6
94.04185	3.3
96.40672	1.6
98.98471	4.0
105.07047	2.6
106.04179	1.7
107.08613	5.2
109.02917	1.7
119.04903	1.8
119.08572	2.2
122.03667	8.8
123.04444	8.8
135.11681	4.6
137.05978	100.0
138.06296	2.9
143.82527	1.5
147.04375	2.9
147.08078	1.6
151.03888	2.1
151.07530	3.6
153.05452	2.1
153.12706	6.7
155.08502	2.2
159.11565	1.6
160.07471	1.5
165.06993	3.4
167.07045	99.9
168.07408	2.1
170.21165	1.5
179.06979	2.1
181.06483	2.4
183.07986	2.4
211.07524	3.0
212.04686	2.5
213.05510	1.9
219.02814	2.4
227.06978	5.2
243.10216	3.2
255.06538	3.1
271.09705	3.2
288.06888	3.0
288.09909	37.4
289.10330	3.5
303.12149	5.1
318.03644	4.4
333.05997	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66696	0.4
67.05490	0.4
69.03443	0.4
69.52583	2.2
71.14029	0.3
85.03590	0.3
98.98480	2.7
107.04967	0.5
123.04458	0.9
135.04517	0.4
139.03906	0.5
147.04492	0.6
153.01878	0.7
171.09923	2.6
219.02879	0.8
233.04381	0.4
256.61044	0.4
273.03726	0.5
289.03354	0.5
290.04010	0.4
318.03754	2.7
333.06625	4.7
333.15186	100.0
334.06418	0.5
334.12054	0.5
334.15601	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01868	3.5
55.05499	4.3
57.03427	5.2
57.07075	21.2
59.04984	2.5
61.02922	5.4
65.24277	1.4
67.05515	3.8
68.99796	1.8
69.03432	20.9
69.07072	12.8
71.04993	15.8
71.29855	1.1
73.02921	1.9
73.54906	1.4
79.05489	6.0
81.03419	10.9
81.07045	8.5
83.08620	2.0
84.50078	1.3
85.02905	45.6
85.06541	15.4
87.04447	2.0
91.03963	2.3
91.05478	4.2
93.07047	12.4
93.50636	1.3
95.04980	2.9
95.08604	7.0
97.02894	13.7
97.06532	6.2
98.98448	2.1
99.04464	3.6
101.09663	3.9
105.07028	3.6
107.08594	11.7
109.02883	7.9
109.06542	1.5
109.10175	6.4
111.08085	3.0
111.11754	2.4
113.06069	1.8
119.08582	2.3
121.06490	1.6
121.10110	1.8
123.04436	1.4
127.03927	8.7
127.11210	10.8
131.08633	1.7
133.10104	2.0
135.11699	14.3
136.12050	1.7
137.02336	2.2
137.05971	4.6
137.09613	1.9
145.05013	6.6
145.10146	2.2
151.11221	2.0
153.01845	12.6
153.05443	2.0
153.12755	16.6
161.09575	2.7
167.07108	3.7
171.13799	44.8
171.15211	2.7
172.14174	2.5
173.34767	1.4
174.01807	1.3
175.11240	2.0
177.08989	1.6
205.04955	2.6
206.05632	1.5
208.03683	3.3
217.04919	2.2
219.02927	17.2
233.04439	7.5
234.05197	1.8
243.02936	2.0
244.03647	4.8
245.04562	4.4
247.02245	2.3
259.05930	1.4
261.03992	2.2
273.03955	2.9
289.03506	4.5
290.04227	5.9
290.42700	1.6
301.03412	5.6
318.03696	46.8
319.04041	4.7
333.06058	100.0
333.20438	1.5
334.06357	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86790	1.4
53.03943	3.4
55.05511	3.2
57.03431	4.3
57.07076	16.8
59.04991	4.2
60.41845	1.3
61.02930	7.3
67.05498	5.1
69.03432	26.4
69.04760	13.8
69.07076	14.5
71.04990	24.6
73.02903	3.7
79.05486	2.4
81.03425	15.1
81.07054	13.2
81.26356	1.5
83.04963	1.9
83.08608	3.9
85.02904	57.5
85.06535	12.1
87.04456	2.9
87.76791	1.7
91.03954	3.3
91.05496	3.6
93.07024	10.7
95.04983	2.4
95.08619	6.0
97.02895	19.5
97.06531	4.4
98.98482	3.8
99.04462	3.7
100.75439	1.5
100.97655	1.2
101.09656	9.8
105.07023	3.6
107.04980	1.6
107.08582	9.8
109.02872	12.4
109.06524	1.7
109.10141	5.4
111.08074	2.2
111.11718	6.6
119.08568	2.4
123.08095	2.1
125.09689	1.9
125.13333	1.4
127.03914	12.3
127.11198	25.7
131.04977	1.3
135.08043	2.6
135.11682	9.0
137.02354	2.2
145.04984	12.1
145.10083	1.6
149.09538	1.5
151.11142	1.5
153.01837	14.7
153.12766	17.3
157.10144	1.9
158.40231	1.6
171.13805	61.2
172.14128	2.5
186.58092	1.4
203.03331	1.7
205.04976	3.4
206.05785	5.2
208.03607	4.4
216.04120	1.7
217.04842	1.8
219.02885	22.9
227.55864	1.6
233.04523	8.5
234.05171	2.3
243.02910	4.6
244.03642	5.5
245.04393	4.1
261.04004	5.0
272.03195	2.0
273.04025	2.0
289.03448	3.6
290.04227	8.4
301.03415	6.8
318.03690	58.0
319.04025	4.8
333.06024	100.0
333.20441	1.7
334.06241	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
54.09570	1.0
55.01862	2.1
55.05503	2.6
57.03424	3.0
57.07074	20.2
58.36634	0.9
59.04992	2.2
61.02931	5.0
67.05496	3.3
69.03428	12.2
69.07071	12.2
69.22923	6.8
69.28476	0.8
71.04991	12.2
73.02898	1.8
73.06554	1.2
73.72528	1.0
79.05491	2.3
81.03409	7.3
81.07056	8.3
83.04965	1.0
83.08608	2.8
85.02908	32.5
85.06539	15.0
87.04458	1.9
91.03947	3.1
91.05483	1.5
93.07060	5.0
93.07561	0.9
95.08601	5.0
97.02895	10.6
97.06530	2.7
98.98475	2.2
99.04461	2.9
101.09652	4.4
107.04988	1.3
107.08582	3.0
108.02087	1.2
109.02890	8.2
109.10159	3.4
111.04435	1.5
111.11717	2.8
113.05998	1.1
115.03856	1.1
127.03926	9.2
127.11207	15.8
135.08112	1.1
135.11708	6.1
137.02299	1.9
137.05920	2.3
145.04993	6.7
146.31049	0.9
153.01819	14.3
153.12735	16.7
154.26691	0.9
157.10081	1.1
165.01862	0.9
171.13797	35.0
172.14114	1.6
179.03362	1.4
205.04977	2.9
206.05713	3.2
208.03668	4.7
213.10115	1.2
213.14880	1.7
217.04926	1.8
219.02878	22.7
220.03362	1.6
230.14903	1.1
232.03816	1.3
233.04472	9.7
234.05170	3.5
243.03001	3.3
244.03706	7.1
245.04414	4.0
247.02530	1.7
261.03952	4.4
273.03772	2.3
289.03433	4.2
290.04208	7.5
301.03366	7.8
315.12476	1.8
315.18561	0.9
318.03699	64.9
319.04001	5.3
333.06039	100.0
334.06372	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1907
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
53.03949	3.7
55.01861	5.7
55.05498	3.9
57.03426	7.6
57.07074	5.0
61.02931	3.5
67.05509	12.4
69.03435	18.8
69.07071	13.1
69.21981	10.6
71.01350	3.8
71.04989	5.5
73.02909	4.9
79.05493	34.8
81.01365	1.8
81.03417	17.6
81.07059	21.3
83.04964	5.7
83.08623	1.7
85.02904	100.0
87.04475	3.4
91.03923	2.5
91.05482	21.7
93.06471	2.8
93.07047	53.7
93.07626	3.4
94.07365	2.4
95.04956	9.1
95.08614	7.6
97.02895	23.4
97.06524	3.9
98.98460	6.9
99.04447	5.3
101.02377	3.4
103.03940	4.1
103.05493	1.9
105.04522	2.6
105.07026	18.5
107.04943	4.6
107.08595	53.3
109.02850	10.5
109.06540	3.3
109.10115	5.4
111.04456	4.6
112.76072	1.5
115.03947	4.5
115.52335	2.0
117.05469	1.9
117.07015	10.3
118.64370	1.6
119.08567	12.8
121.06514	4.4
121.10149	19.8
123.04460	2.6
123.11692	8.0
127.03907	25.5
129.05486	3.2
129.06987	9.3
131.04974	1.7
131.08565	10.1
133.06476	4.9
133.10114	20.4
135.08052	2.3
135.11691	94.7
136.12018	3.1
137.05937	2.6
139.03891	2.9
141.06967	2.6
143.08527	4.9
145.04953	16.0
145.06477	3.5
145.10110	7.9
147.04399	2.2
147.08025	4.2
147.11671	14.0
149.13292	5.6
150.98849	2.0
151.11200	12.0
153.01849	3.7
153.12732	10.7
155.08548	5.0
157.10130	3.2
159.08011	2.6
159.11658	5.1
161.09601	3.9
161.13292	6.0
163.06020	8.3
163.11176	4.0
165.12790	3.4
167.10588	2.6
169.10208	2.5
171.08060	2.3
171.11618	4.6
173.09599	2.3
173.13318	3.3
175.06126	2.4
175.11176	6.5
177.12743	7.8
183.08081	2.3
183.11832	1.9
187.11215	4.7
189.12692	5.6
193.12306	5.2
197.13327	2.3
201.12741	6.6
203.14346	3.0
205.12228	2.6
207.13814	5.2
215.14204	4.1
217.05019	3.2
219.02773	2.2
219.13814	5.2
231.13873	8.6
233.15250	4.3
237.14828	1.9
243.13811	8.4
245.04506	4.0
249.14845	5.8
251.16508	2.0
261.14899	15.3
273.04031	2.0
279.15958	15.5
287.05515	3.5
297.16989	13.3
301.03323	7.3
315.18039	4.4
318.03674	8.5
333.06000	35.8
333.09665	3.4
333.19049	14.4
334.06293	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1908
Annotation	Rosiridin
Peak:m/z	Relative Intensity
50.24195	0.8
53.03950	1.2
55.05508	4.2
57.03444	1.5
58.38276	0.9
61.02927	1.3
65.03950	1.0
67.05495	4.3
69.03424	3.8
69.07078	9.7
71.04987	1.7
71.29845	1.7
71.77148	0.8
75.85945	0.9
79.05499	3.5
80.25161	0.9
81.03426	2.0
81.07056	5.3
82.39559	0.9
83.08614	2.4
85.02909	7.5
91.05484	3.9
92.05824	2.2
93.07046	18.1
95.08607	14.1
97.02927	2.2
97.06536	32.6
98.98482	2.1
105.06999	1.5
107.08595	28.6
107.09291	2.0
108.02111	1.3
108.08968	1.1
109.02876	5.3
109.10148	11.8
111.11704	1.6
116.00166	1.0
119.04918	1.4
119.08595	0.9
120.05338	1.0
127.03909	1.3
129.06992	1.5
134.04497	0.9
135.11702	38.1
136.11993	1.3
137.02332	2.9
137.05994	2.9
138.06339	2.4
139.06541	1.7
143.08553	1.0
145.04968	2.2
150.05327	1.0
151.07591	2.9
152.07880	3.1
153.01822	12.5
153.08121	1.9
153.12750	88.4
154.13057	2.7
169.10269	1.0
171.12338	1.4
171.13802	23.5
173.09676	1.1
179.03413	1.4
192.04213	1.3
201.16335	0.9
205.05016	2.8
206.05765	3.7
208.03683	4.3
211.07275	1.1
216.04303	1.1
219.02884	20.5
220.03406	1.1
229.11264	1.1
233.04416	8.5
234.05249	2.6
243.02994	3.2
244.03702	5.5
245.04308	4.5
247.60339	1.1
255.12859	1.6
257.10919	1.4
261.04050	5.0
262.04562	1.6
269.09085	1.1
273.03912	2.2
289.03546	4.6
289.13403	2.6
290.04242	7.7
301.03418	7.5
301.11389	1.6
315.09622	1.6
318.03693	62.5
319.04089	5.3
333.06070	100.0
333.10693	9.0
334.06390	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1905
Annotation	Rosiridin
Peak:m/z	Relative Intensity
55.82146	14.4
69.29584	28.9
69.29996	74.7
69.67982	13.0
71.04987	15.2
79.05473	19.5
81.07053	45.1
81.82493	15.3
85.02919	26.6
91.05509	15.0
93.07038	31.2
95.01628	11.9
107.08611	30.0
119.04895	13.2
123.04341	15.4
131.08499	14.2
135.11711	34.7
137.05981	99.1
141.45871	12.9
145.10175	14.6
151.07582	15.0
153.12726	86.2
160.99124	13.7
161.09682	16.6
167.07072	100.0
188.60950	13.7
244.46404	15.1
315.19754	18.6
318.03738	38.4
333.06149	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29321	0.6
70.06575	0.8
79.05479	0.9
81.07034	0.7
83.78652	0.7
87.04457	1.9
88.07636	4.1
91.05479	1.1
98.98449	2.4
121.52751	0.7
132.10204	1.1
161.21555	0.6
195.09944	1.7
242.24770	3.5
277.15845	1.0
286.27295	1.3
290.16901	0.7
302.11240	1.2
315.17950	1.1
333.17044	4.9
333.20325	100.0
333.31567	1.6
334.20740	7.8
334.29459	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50000	0.7
67.05503	1.2
69.07061	1.0
69.89490	2.1
79.05497	1.1
81.07039	1.1
85.81530	0.6
91.05464	0.8
91.49525	0.6
93.07039	1.9
95.08603	1.3
98.98489	1.1
105.07027	1.9
107.08600	1.5
119.08595	1.4
133.10143	1.4
147.11630	1.2
235.13052	1.0
251.12488	1.3
333.20355	100.0
334.20712	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.2
69.26178	5.4
73.33849	0.7
75.91894	0.6
77.36028	0.7
79.05499	0.7
81.07039	1.6
88.07612	1.2
91.05460	1.7
93.07041	1.6
94.24960	0.6
94.64423	0.7
95.04955	0.6
95.08601	1.4
98.98470	1.1
105.07037	2.3
107.08565	1.3
117.07002	0.8
119.08569	1.6
133.10104	0.9
143.08545	1.1
145.10109	0.6
193.10066	0.8
197.13184	0.7
203.63991	0.6
205.09940	0.6
221.13321	0.9
231.11722	0.8
234.13895	0.8
242.24788	1.0
291.17285	1.2
315.19470	0.8
333.20328	100.0
334.20728	7.2
334.29547	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.8
57.03439	3.2
67.05498	2.6
69.07078	4.2
71.51680	2.1
73.85807	2.1
79.05467	4.9
80.85797	2.3
81.07028	5.9
83.04949	2.3
83.41904	2.0
90.99511	2.0
91.05467	4.9
93.07021	5.2
95.08589	4.9
98.22602	4.7
98.98438	4.6
105.07013	7.5
107.08582	3.6
109.10189	3.5
119.08529	7.6
121.10124	3.7
131.08536	3.7
133.10086	6.3
135.11644	2.7
145.10136	3.0
147.46034	2.2
171.11679	2.6
207.11629	2.3
221.13272	3.1
229.18288	3.2
249.16284	2.7
262.06042	2.8
273.21927	3.2
290.05511	3.0
315.19305	50.1
315.23111	2.2
316.19598	2.7
318.05096	10.6
318.10696	3.9
319.05634	3.8
333.07556	27.0
333.20306	100.0
333.24579	4.6
334.07953	3.5
334.20694	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2423
Annotation	16-alpha-Hydroxypregnenolone
Peak:m/z	Relative Intensity
52.91278	1.1
53.03944	4.0
55.01863	1.6
55.05514	8.3
56.90984	1.3
57.03456	1.5
57.07073	1.9
61.16364	1.2
65.03941	3.0
67.05506	35.5
69.03426	5.4
69.07065	8.2
69.17001	9.5
70.06584	1.5
71.04995	7.2
77.03926	2.2
79.05497	32.8
81.03428	2.9
81.07063	47.9
82.07401	1.4
83.04966	6.0
83.08620	4.4
85.06544	1.6
91.05482	24.2
93.02686	1.3
93.07048	69.3
95.04968	36.0
95.08608	66.0
96.08949	1.8
97.06527	8.0
97.10184	6.4
98.98479	1.7
105.04562	2.1
105.07030	45.0
105.07745	2.3
107.04957	20.4
107.08598	46.8
108.08877	1.2
109.06523	14.9
109.10155	18.6
109.10841	2.3
111.08073	2.4
113.06010	21.3
116.75489	1.1
117.07045	7.1
119.08581	36.8
121.06506	78.8
121.10143	37.9
122.06828	2.3
123.08073	11.5
123.11705	14.3
125.05997	13.7
128.06161	1.9
129.06993	5.4
131.08572	20.1
133.06494	3.2
133.10130	26.1
135.08043	9.9
135.11681	14.7
137.09630	2.9
137.13185	1.5
139.07562	1.9
141.06970	1.9
142.07759	1.8
143.08575	11.4
145.10129	22.4
147.08034	13.6
147.11690	21.4
149.09657	6.1
149.13260	20.6
155.08563	5.6
157.10158	15.7
158.07204	1.5
159.08041	3.7
159.11700	23.7
161.09613	13.6
161.13243	11.4
162.09866	1.3
163.11176	4.3
163.14828	18.1
166.76697	1.2
169.10185	7.0
171.11700	13.1
172.12173	2.0
173.09645	10.5
173.13268	20.3
175.11201	23.7
175.14819	21.2
176.11501	1.5
177.12790	2.6
177.16351	2.4
182.10892	1.8
183.11699	8.3
185.13258	9.7
187.11186	6.0
187.14842	8.6
189.12823	5.9
189.14919	1.2
189.16342	8.1
191.14246	1.9
193.12303	1.3
194.10872	1.3
195.11710	2.4
197.13239	6.3
199.14813	5.5
201.12720	19.1
201.14523	1.9
201.16402	12.4
202.13081	1.9
202.16864	1.4
203.18007	3.8
209.13255	5.1
211.14880	4.0
213.12794	1.7
213.16371	8.6
215.14301	5.9
215.17892	2.0
215.41348	1.2
217.15804	1.4
217.19661	2.2
217.99741	1.4
219.02339	1.3
223.14914	2.5
225.16452	2.4
227.14268	3.4
227.17982	6.7
229.15811	2.5
237.16415	4.9
239.17941	7.1
241.15834	3.5
243.21132	2.4
251.17969	1.9
253.19508	22.9
254.19952	1.9
255.21152	2.1
269.22629	6.9
271.20587	30.9
272.20770	1.8
272.25723	2.5
279.21082	23.2
280.21451	3.0
289.21634	1.6
297.22128	97.0
298.22437	7.3
315.23154	13.2
316.23697	1.7
333.24246	100.0
334.24704	8.3
334.29071	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03281	0.9
53.07259	0.9
57.03443	1.6
61.02922	2.8
63.02293	0.8
65.03913	1.1
69.03442	5.9
70.61028	2.1
70.84241	0.8
73.02921	1.4
81.03400	2.7
85.02916	25.2
87.92652	0.9
91.03955	2.0
91.05478	9.2
97.02905	6.4
109.02881	2.1
109.06523	1.4
119.04955	7.5
127.03928	3.6
137.05986	100.0
138.06325	3.0
145.04964	8.0
150.25677	0.9
151.07527	1.4
155.07056	6.3
163.06065	1.7
165.05362	1.0
180.08702	3.2
203.07091	1.7
235.31618	1.0
322.84250	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22586	1.1
55.01871	3.7
55.05506	4.9
57.03426	1.3
57.07072	5.9
67.05509	20.4
69.03461	1.1
69.07072	8.1
69.37528	7.4
71.05009	1.4
71.08636	11.9
72.04518	82.0
79.05495	9.1
81.03378	1.2
81.07053	20.3
83.05006	1.6
85.06546	3.4
88.07645	1.3
88.66618	1.1
89.43173	1.3
91.05476	10.1
93.07040	15.7
94.20470	1.1
95.04967	19.1
95.08613	20.4
97.06528	4.8
99.08106	5.5
100.07629	3.0
105.07040	10.1
107.08597	11.3
109.06519	27.7
109.10147	5.4
109.32282	1.3
114.09172	18.1
117.07001	2.0
119.08572	4.9
121.06514	3.8
121.10155	4.7
123.08112	2.0
126.35004	1.2
128.10709	8.7
131.08566	7.5
132.30699	1.5
133.10135	8.0
135.08060	2.5
135.11673	1.9
137.09641	1.4
140.10754	1.3
142.12285	4.3
145.10146	4.1
147.11694	5.0
149.09612	2.3
149.13260	5.2
151.14867	1.7
154.12286	2.2
156.13768	2.2
157.10069	1.8
159.11717	1.8
163.11166	1.7
163.14804	2.0
165.12755	100.0
166.13106	4.0
173.13225	8.1
175.11194	5.7
180.13847	4.7
182.15404	14.6
184.13373	3.4
184.16968	1.8
187.14764	2.0
191.14307	9.6
194.15414	2.1
201.12758	5.2
208.95828	1.5
212.16469	9.9
216.07184	1.7
220.16963	11.8
226.06021	1.8
227.06325	2.2
228.07312	1.8
229.04503	1.6
229.19487	2.7
230.05225	1.2
236.20094	39.5
237.20456	3.2
243.06320	4.9
244.06804	8.1
253.19450	1.2
258.05267	1.2
258.08411	3.5
259.09113	2.5
261.06680	2.6
271.05917	1.8
271.20483	6.1
272.06265	2.7
273.06921	3.0
276.09296	2.1
286.07883	4.5
287.08633	3.4
288.09402	6.6
289.06369	3.4
289.21585	9.7
302.11136	2.2
303.11722	3.6
304.08820	9.9
305.08411	2.0
307.06323	1.3
316.26331	5.1
318.10947	2.4
319.05948	2.2
319.11282	44.9
320.07626	1.1
320.11310	2.9
334.08252	4.2
334.13019	12.4
334.27380	41.0
335.05402	4.4
335.09045	3.6
335.12799	3.3
335.25797	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0742
Annotation	GroPIns
Peak:m/z	Relative Intensity
57.93399	3.7
59.90599	3.4
69.48917	15.0
69.49317	8.5
79.24824	4.0
85.01429	4.7
97.02908	4.4
101.00902	16.0
103.02426	6.9
105.71508	4.6
108.59148	3.7
113.00867	20.5
115.02446	8.3
119.01939	19.5
129.03937	6.0
131.01926	35.9
131.05574	5.3
133.03482	7.5
143.01929	10.9
145.01695	4.3
145.03458	10.2
147.05048	7.0
155.01886	19.6
157.03461	8.0
161.02982	9.3
163.02707	4.7
171.05029	6.6
173.02968	17.9
173.06638	47.0
175.04477	5.2
175.18134	4.8
185.06621	70.1
186.06844	7.9
187.08231	9.0
191.07697	16.0
197.06636	4.2
203.04036	12.8
203.07707	29.1
205.03789	4.9
215.07687	15.2
221.05124	24.1
225.06117	5.6
227.07634	16.6
245.08791	4.8
275.06793	5.5
275.09784	94.8
276.09937	7.2
293.10809	100.0
294.10840	6.1
317.13159	5.1
318.00082	4.1
335.07391	48.3
335.11752	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0741
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
70.71095	4.6
70.71428	5.4
78.97756	4.0
83.00013	4.8
88.91251	3.7
112.08504	3.8
115.76698	3.9
136.81520	3.7
141.24026	3.3
141.77844	3.7
335.07349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72183	0.7
54.57381	0.7
55.05523	1.2
56.96569	23.3
58.80689	0.7
68.96569	1.1
69.03444	1.3
69.46231	3.7
71.95274	1.5
81.07064	1.4
84.96043	10.7
85.02900	1.4
91.05479	0.9
97.06533	0.8
97.96815	2.0
98.06076	1.3
98.97589	100.0
102.97098	1.3
107.08587	1.0
109.06527	1.2
109.10162	0.9
110.96812	1.5
110.97576	22.8
112.99162	2.7
113.06108	0.6
116.98631	39.0
121.06511	0.9
124.99132	2.5
126.05556	1.3
126.09148	1.6
126.97038	1.4
127.03905	1.6
127.07573	0.8
127.09507	1.1
128.59328	0.7
128.98619	18.1
130.06479	0.9
131.00189	1.3
131.08615	0.8
134.99663	8.8
137.05919	0.8
139.07565	1.3
140.00217	1.2
140.98573	3.9
143.00160	8.6
144.98109	3.3
145.06476	1.3
146.99666	8.6
147.04369	0.8
149.01192	1.1
152.98621	9.5
154.08662	2.1
155.07045	1.7
155.08961	2.3
156.07324	1.1
157.98857	1.0
158.99664	19.1
161.01231	6.9
162.99165	2.6
165.70349	0.7
170.99655	11.9
172.06076	3.8
172.09720	2.8
173.01256	1.8
173.10059	2.3
177.00706	17.0
177.02054	0.6
177.07042	0.7
179.02309	0.9
182.99594	0.9
189.00702	5.5
191.05934	1.2
195.01810	2.2
201.00722	3.0
215.05840	1.1
219.01788	25.9
227.06038	0.9
237.02823	37.2
255.03886	2.1
271.10831	2.9
275.08026	10.5
287.10239	2.5
289.11792	2.6
293.09091	87.6
294.09314	3.9
299.10077	2.6
311.10120	13.0
316.10776	1.7
317.11346	5.4
335.10052	60.3
336.10422	2.7
357.08325	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25103	1.0
56.96562	1.1
69.03429	1.6
69.06247	4.3
69.06673	4.6
70.99871	1.4
77.00904	2.1
82.99862	4.0
84.20496	1.2
85.02911	2.2
85.06550	1.7
97.02886	1.8
98.23376	2.3
98.97581	1.8
98.98464	1.5
101.00260	2.1
101.00895	30.4
101.01564	1.5
102.00974	1.9
103.02444	1.7
108.08144	2.8
109.08462	2.0
110.97542	1.5
113.00879	10.3
115.02451	4.4
119.01928	38.7
120.02043	1.6
127.02481	2.7
127.16035	1.3
129.03990	2.8
131.00972	1.1
131.01907	27.3
131.05577	9.0
132.01994	1.4
133.01685	2.0
133.03532	5.5
137.00891	2.2
137.03021	3.0
137.05940	2.2
143.01913	84.2
144.02052	3.1
145.01704	1.2
145.03488	10.4
147.01395	1.5
147.03261	2.3
147.05052	3.4
149.02950	1.3
149.06609	8.6
155.01907	31.6
155.05580	3.9
156.02686	2.5
157.03481	4.7
159.05104	4.3
161.02974	93.2
162.03154	4.7
163.02722	2.1
163.04001	1.2
167.05515	1.7
169.03447	1.4
169.07114	1.6
171.03278	2.3
171.04913	2.2
173.03047	22.8
173.04561	1.7
173.05028	1.8
173.06613	33.6
173.08127	2.0
174.03139	1.7
174.06834	2.8
174.11278	1.5
175.02751	2.2
175.04556	1.9
177.00955	1.6
177.06068	4.8
184.04559	2.3
185.03046	3.7
185.06593	39.7
186.06830	3.0
187.02936	1.5
187.04501	2.4
187.06552	2.1
187.08073	6.4
191.05983	2.1
191.07605	10.8
197.03105	1.5
197.06639	1.2
199.08224	2.1
201.06035	1.5
203.04039	11.1
203.05727	1.9
203.07669	20.7
204.04141	1.5
204.07831	1.9
205.03903	4.2
209.06540	2.2
215.07693	14.2
216.07790	1.5
217.09261	1.7
219.01918	2.0
221.05077	26.0
222.05209	1.9
223.04849	14.0
227.07677	3.3
228.07614	1.4
233.08789	3.6
245.05257	2.5
257.08792	6.0
258.97305	1.5
275.09821	42.9
276.09976	3.4
289.09634	15.7
293.10828	100.0
294.10938	5.9
307.07214	2.1
307.10614	11.3
310.99573	2.0
312.04666	1.3
312.07745	6.6
335.07034	3.8
335.11694	60.6
336.07861	1.4
336.11996	4.1
354.05350	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05031	0.8
56.96567	1.0
57.29662	0.8
58.99858	1.7
59.00148	0.9
61.78929	1.1
68.98300	1.5
70.99853	2.0
71.28950	1.6
82.99864	4.1
85.02912	1.2
86.99345	1.2
90.27935	1.0
97.02917	1.3
101.00880	30.0
102.00986	1.8
103.02460	1.2
108.08151	1.4
109.08485	1.3
113.00870	10.9
115.02406	4.7
119.01913	34.6
120.02007	2.0
120.08178	1.5
121.38036	1.0
127.02433	3.9
129.03966	2.3
131.01907	24.0
131.02805	2.0
131.05537	10.8
132.02043	1.1
133.03468	4.2
137.00851	2.5
137.02998	2.9
143.01891	97.2
144.02025	6.0
145.01694	1.1
145.03442	13.0
147.01372	1.5
147.05023	2.1
149.02997	2.2
149.06610	11.5
155.01895	31.6
155.05560	2.8
156.02655	4.3
157.03473	5.9
159.05074	5.7
161.02951	98.7
162.03079	6.5
163.02699	1.2
163.04556	1.9
167.05533	2.1
169.07088	2.1
171.05095	2.0
173.03004	25.7
173.06599	35.8
174.03142	1.9
174.06805	1.9
175.04625	2.6
177.06099	3.9
184.04684	2.2
185.02989	5.5
185.04959	1.3
185.06586	34.9
186.06754	2.3
187.08159	5.0
189.14897	1.0
191.07631	7.6
197.06606	3.6
199.08243	2.2
201.06158	2.0
203.03981	12.5
203.07619	14.9
203.09230	1.4
205.03831	2.8
205.09224	1.6
209.06810	1.1
215.07655	15.7
217.09235	2.3
219.01964	1.1
219.07164	1.4
221.05058	24.6
221.07149	1.5
222.05217	1.5
223.04942	4.5
227.07719	4.0
233.08780	3.9
245.05167	2.0
257.08801	7.7
273.08270	1.6
275.06732	1.6
275.09747	45.6
276.09848	5.3
289.09756	4.5
293.10794	100.0
294.10962	8.4
307.10785	3.3
312.07718	6.9
316.12357	1.5
335.11862	55.2
336.12079	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30579	1.0
58.99851	1.1
68.30292	1.0
68.98269	1.2
69.03416	1.6
70.99855	1.4
71.27881	1.1
71.28272	1.1
72.02285	1.0
73.83718	1.1
74.31721	1.1
75.86002	0.9
82.99859	4.5
85.02858	1.1
86.99315	1.4
89.00915	1.1
97.01402	1.4
98.98440	1.4
101.00880	27.8
103.02441	1.8
113.00873	12.0
115.02421	4.1
119.01923	35.4
120.01990	2.3
122.76159	1.0
127.02407	2.9
129.03979	2.3
131.00999	2.1
131.01907	25.5
131.05542	9.7
133.03465	4.7
134.25702	1.1
137.00848	3.3
137.02936	3.2
139.02454	1.1
143.01898	81.3
144.01994	4.9
145.03448	7.9
147.01355	1.3
147.04320	2.0
149.02921	1.7
149.06604	10.4
150.21179	1.2
155.01898	29.3
155.05525	4.5
156.02722	2.3
157.03522	5.9
159.04991	3.2
161.02957	91.7
162.03084	7.5
167.05412	1.7
169.07140	1.4
171.05020	2.9
173.02982	24.3
173.06596	34.2
174.03120	1.9
174.06790	2.1
175.04370	1.7
177.06073	4.6
179.03561	1.5
185.02974	5.0
185.06592	32.1
186.06749	3.1
187.08116	6.8
191.07611	8.5
197.02994	2.5
197.06662	3.6
199.08116	3.5
201.06091	1.5
203.03981	10.9
203.07646	17.1
205.09216	2.2
209.06583	1.9
215.07642	16.7
217.09244	1.9
219.02019	1.3
219.07271	1.2
221.05055	28.3
222.05237	2.8
227.07640	3.4
233.08696	5.0
234.08549	1.1
245.05078	2.4
257.08795	5.5
275.06717	2.5
275.09769	48.6
276.07230	1.1
276.09802	6.3
292.89429	1.1
293.10806	100.0
294.08020	1.7
294.11023	9.6
312.04718	1.2
312.07822	5.8
316.12238	1.2
318.45911	1.3
335.11819	60.8
336.11893	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
53.07875	0.6
55.01874	0.7
65.03940	0.7
67.05500	1.3
68.99409	5.6
69.73180	0.7
76.19667	0.8
80.05022	1.0
86.08643	0.6
91.05488	1.2
91.13707	0.6
92.04991	0.8
93.07040	0.8
96.04481	1.3
108.04504	1.4
108.08063	0.8
110.06028	1.6
115.05424	0.6
120.04469	1.6
122.05987	3.7
124.03933	1.5
124.07610	0.8
128.06224	1.0
129.07018	1.2
131.08571	0.8
132.08052	1.4
133.07649	0.6
134.05992	0.8
136.03922	1.1
136.07576	4.7
138.05487	1.1
141.06876	0.6
142.07762	1.0
143.07364	1.5
143.08493	1.2
144.08064	2.5
146.05995	1.5
146.09625	1.1
147.05539	0.6
148.03929	1.5
148.07573	0.7
152.07047	0.8
154.06461	0.9
155.07318	1.8
155.08517	1.1
156.08083	3.6
157.08888	1.2
158.08406	1.3
158.09647	3.1
160.07582	2.7
161.10680	1.3
162.05452	1.4
162.09134	0.6
163.03882	0.8
164.07076	2.3
165.07159	0.8
167.07335	0.7
167.11682	0.6
170.09625	2.5
171.09198	0.9
172.07576	8.7
172.09979	2.0
172.11246	1.3
173.08347	0.8
173.10725	3.9
174.07861	1.9
174.09135	5.2
175.08682	5.0
182.08246	1.4
183.06763	1.2
184.07584	9.4
185.07036	1.0
185.08426	1.1
186.07770	1.7
186.09151	6.3
187.08670	1.8
187.12308	5.9
188.07072	0.8
188.09305	0.9
188.10814	1.5
189.10231	4.5
190.08656	0.7
193.04819	0.9
197.10764	1.3
198.07506	0.9
198.09160	11.9
199.08719	2.2
200.05370	1.3
200.07065	14.1
200.09415	4.0
200.10953	1.5
201.10233	13.7
202.08696	1.6
211.08627	5.1
212.07222	3.1
212.09068	0.9
213.06573	2.0
213.10191	1.5
214.06966	3.3
214.08904	1.8
214.10825	1.1
215.08246	2.9
215.11774	17.3
216.08731	1.5
216.12114	0.9
217.09723	8.6
218.10013	1.0
225.10394	3.7
226.08641	5.6
227.08130	8.1
228.06538	3.0
228.08908	3.0
229.09715	31.5
230.10225	1.9
231.11287	1.2
239.08167	1.9
241.09695	2.5
242.08170	1.0
242.10339	3.7
243.11288	28.8
244.11725	1.5
245.09212	30.4
246.09567	1.6
253.09685	7.6
254.08044	1.3
257.09195	11.0
258.09927	1.9
259.10806	8.1
260.08981	0.8
261.12308	1.5
271.10757	100.0
272.11166	6.3
273.12311	2.8
281.09192	13.8
282.09488	1.2
287.10245	37.6
288.10645	2.7
289.11804	12.5
299.10245	27.3
300.10532	2.4
304.10690	0.7
305.11246	8.9
306.11600	0.8
317.11334	19.0
318.11642	1.5
335.08939	0.8
335.12430	8.9
335.15988	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.05517	0.9
65.03948	4.6
67.05504	6.7
69.03450	1.3
69.07069	100.0
70.07399	2.2
70.96481	0.5
71.29991	0.6
79.05499	2.5
80.04997	1.1
81.07056	8.6
82.06611	0.6
83.04992	0.9
85.02885	0.5
91.02372	0.5
91.04214	0.8
91.05483	1.6
92.05013	4.3
93.05787	0.8
93.07022	3.1
94.06573	4.2
95.04970	2.8
95.08592	2.3
96.08134	0.9
97.06533	18.9
97.10167	0.9
105.07033	2.2
106.06538	0.7
107.08586	2.2
108.04488	1.9
108.08128	0.6
109.05304	0.6
109.06507	1.3
109.10159	1.6
117.06968	0.6
119.03690	1.5
119.08585	2.1
120.04460	1.3
121.00200	0.5
121.05268	1.3
121.06535	0.9
121.10102	1.5
122.06032	9.5
123.08140	0.6
123.11745	0.9
124.07614	2.0
125.05974	1.5
129.07016	0.6
130.06540	0.7
131.07295	0.7
131.08577	1.7
132.04468	0.7
132.08104	0.9
133.10143	1.3
134.06064	0.6
135.08034	1.0
135.11662	0.5
137.06000	3.4
137.09653	1.1
138.05508	5.4
140.07056	7.9
141.07863	0.7
143.08624	0.9
144.08049	2.5
145.06468	0.5
145.08862	3.7
145.10141	2.2
146.05966	0.8
146.09647	3.8
147.06801	1.2
147.11745	1.0
148.03944	3.4
149.09612	1.1
149.13165	0.7
150.05505	78.0
151.05853	2.0
152.03441	1.3
152.07025	0.9
155.08498	0.9
157.08925	3.0
157.10062	0.8
158.09691	1.2
159.10449	1.2
159.11673	0.9
160.07600	1.4
160.11189	0.6
161.08353	2.8
161.09599	0.9
162.09210	3.3
164.03427	0.7
165.04237	1.2
166.05002	30.6
167.05325	0.7
168.06561	1.6
170.09634	0.9
171.06778	0.6
172.07492	2.8
172.11205	4.5
173.08305	2.1
173.09637	1.3
174.09171	1.6
174.12787	6.6
176.03432	7.6
178.05006	2.9
182.04437	1.0
185.08377	2.4
186.05540	1.2
186.07570	1.6
186.09116	1.2
188.10716	1.5
190.12277	5.2
192.02881	1.5
194.04546	3.8
197.10728	0.6
198.07707	1.3
198.09366	0.7
200.07118	1.2
200.10719	7.6
202.12257	8.0
204.10223	0.7
206.08008	0.6
206.11655	1.1
213.10234	0.8
215.08191	0.9
215.11858	0.7
216.10252	3.9
218.08171	1.6
218.11765	31.2
219.12044	1.5
226.08803	0.8
227.11775	1.1
228.10185	16.1
228.12427	1.0
229.10478	0.7
229.13373	1.6
230.11711	0.9
234.11272	3.5
243.07645	0.7
243.11273	1.8
244.09651	2.1
245.09718	0.7
245.12877	2.0
246.11240	23.8
247.11565	1.6
254.08278	1.1
255.11224	1.0
256.09595	1.7
257.09232	1.4
259.10709	0.6
261.08667	0.9
265.07925	0.6
271.10770	5.0
272.09128	3.4
273.12332	3.5
274.10605	2.9
287.10263	8.1
289.11801	9.2
290.09982	0.8
299.10217	6.2
317.11310	25.2
317.20984	1.0
318.11917	1.4
335.12360	14.7
335.21844	1.8
336.12610	1.3
340.71671	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51828	0.3
56.90510	0.3
57.29161	0.3
69.78251	1.4
72.04512	1.2
75.84807	0.3
81.07059	0.5
89.70854	0.3
90.37930	0.3
93.07028	0.6
95.08626	0.4
103.61904	0.4
106.66570	0.4
107.08630	0.4
118.18397	0.4
119.08520	0.3
127.04525	0.3
135.11751	0.4
153.32631	0.3
157.10165	0.3
165.12772	0.7
166.13040	0.7
195.09895	2.5
213.66264	0.4
276.29001	0.4
335.21912	100.0
336.22235	7.9
336.25964	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2191
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
55.05506	0.7
61.86781	0.5
67.05495	1.8
69.07057	0.8
69.55455	0.7
69.55849	2.4
70.33688	0.4
76.51149	0.5
79.05462	0.9
81.07037	1.5
91.05424	0.9
93.07031	1.0
93.22213	0.6
95.08619	1.5
104.30420	0.6
105.07053	0.5
107.08591	1.7
109.10151	0.9
165.12759	0.6
166.13133	0.7
191.10698	1.1
226.76601	0.6
304.13177	0.8
317.21030	1.5
320.12607	1.3
335.21912	100.0
336.22232	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01876	0.9
55.05505	4.9
57.03439	6.6
57.07090	1.3
65.03913	1.3
65.05728	0.8
66.25651	0.8
67.05509	24.9
69.07079	5.4
69.11314	4.7
69.11736	3.1
72.04512	5.9
79.05499	11.8
81.07057	21.1
83.08631	2.1
91.05485	5.9
93.07037	13.9
95.04957	1.6
95.08605	16.2
97.10162	1.4
98.22618	2.0
103.26008	0.8
105.07047	3.6
107.08605	6.3
109.06543	3.1
109.10152	7.4
115.09505	1.0
117.07038	1.9
119.08612	2.3
121.10131	4.6
123.08190	1.1
123.11723	2.3
131.08582	1.7
133.10136	1.4
135.11711	3.0
136.17896	0.8
139.67308	0.8
147.11713	1.3
149.13307	2.1
154.76614	0.7
161.13315	1.3
165.07144	1.3
165.12793	3.7
166.13078	4.1
173.13251	1.6
182.15305	1.1
190.07806	1.3
195.09999	2.9
196.05170	1.2
203.08612	1.2
205.10320	0.9
208.08902	1.1
233.09514	1.2
234.06966	1.2
235.07622	1.7
236.04807	1.5
236.08211	1.6
237.20456	1.7
243.06447	1.2
244.06680	1.6
245.07231	2.3
247.07501	1.5
249.05388	1.2
249.09174	3.1
250.06058	0.9
250.09761	1.1
251.07036	2.7
258.08279	1.1
259.07370	1.0
261.09076	2.3
261.22205	1.8
263.07108	1.4
263.10645	0.9
264.07883	3.1
264.11554	1.0
265.08664	1.9
274.07065	1.1
274.09967	1.2
275.07303	1.4
275.10617	2.1
276.07819	1.3
277.05624	1.3
277.08719	4.9
278.05841	1.1
279.06500	1.5
279.10159	1.0
287.08182	1.3
289.09518	2.4
290.06387	1.0
290.09518	1.2
291.06558	1.6
291.09991	1.9
292.03729	1.9
292.07260	2.5
292.10913	3.7
293.08072	1.8
293.11423	1.6
304.11703	2.0
305.08435	6.0
306.08960	1.5
307.06024	2.3
307.09735	4.2
307.13348	2.4
319.10977	1.0
320.06787	3.1
320.11426	18.0
321.07690	1.7
321.11411	4.3
335.05490	16.0
335.09119	17.6
335.12997	19.6
335.21982	100.0
335.25894	17.0
336.06012	2.9
336.09756	6.8
336.13531	4.7
336.22324	7.4
336.26010	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2216
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
53.03955	5.2
55.01876	15.0
55.05510	20.9
56.79488	2.0
57.03438	21.6
57.07071	5.5
57.64646	2.1
59.04991	2.9
61.02929	14.0
67.05173	3.5
67.05505	38.7
68.80604	2.0
69.03426	22.6
69.07066	24.6
71.01348	5.6
71.04990	18.1
71.31015	4.1
73.02916	27.5
77.03941	2.2
79.05497	31.2
81.03411	8.4
81.07054	92.5
83.04981	12.7
83.08602	10.7
85.02916	20.3
85.06545	7.3
87.04462	5.1
91.05477	35.7
93.07042	73.0
93.13087	2.2
95.04965	13.7
95.08607	100.0
96.08939	3.5
97.02907	10.3
97.06527	16.5
97.10155	7.1
98.22710	2.2
99.04453	3.8
103.03927	7.5
103.05490	2.6
105.07030	82.9
107.04961	2.9
107.08595	75.5
109.06531	13.8
109.10151	55.8
111.04474	4.5
111.08099	2.1
111.11726	2.4
113.05939	2.7
115.03926	14.8
115.05503	4.2
117.07024	15.8
119.08575	66.1
121.06504	5.7
121.10139	47.8
123.04410	3.0
123.08054	9.4
123.11716	18.0
128.06187	5.2
129.05475	4.3
129.06995	7.5
130.07738	3.0
131.08580	41.4
131.09512	4.3
132.08997	2.3
133.04977	11.3
133.10124	48.4
135.08086	6.1
135.11687	35.9
136.11960	2.8
137.05968	3.6
137.09621	5.1
137.13263	5.6
141.07028	2.6
141.41249	2.1
142.07779	6.2
143.07143	1.8
143.07368	2.4
143.08559	26.0
144.09340	6.5
144.66991	2.1
145.10115	76.1
146.10591	2.9
147.08032	5.6
147.11688	45.7
148.12012	2.9
149.09645	6.0
149.13261	25.4
151.07581	2.5
151.11227	2.4
154.07990	2.2
155.08504	12.1
156.09351	6.7
157.10114	36.4
158.10834	4.4
159.06552	4.4
159.08046	2.8
159.11684	66.9
160.12111	2.1
161.09618	6.1
161.13264	21.9
163.11206	7.9
163.14839	8.0
165.12746	3.3
168.09317	3.5
169.08852	2.3
169.10149	11.3
171.08005	2.2
171.11679	25.0
172.12291	2.7
173.09615	4.9
173.13255	39.3
175.11205	6.5
175.14812	28.1
177.12746	7.7
177.16322	3.9
181.10123	3.4
183.10249	3.1
183.11601	13.1
185.13278	20.0
187.11163	2.5
187.14810	18.8
189.12781	6.7
189.16408	32.1
191.14360	2.6
195.11691	4.7
197.13272	13.9
199.14871	17.7
201.14508	4.0
201.16380	71.3
202.16724	4.0
203.14313	6.6
203.17957	28.5
205.12067	2.7
209.13332	3.1
211.14746	12.2
213.16347	24.3
215.14549	3.0
215.17960	42.9
217.15941	3.4
217.19513	8.0
219.17310	2.8
221.13287	3.9
225.16438	12.1
227.17883	10.7
229.19511	7.3
239.17923	9.5
243.13792	2.8
243.17392	6.2
245.19002	6.3
253.19562	5.0
255.21049	29.7
257.18991	6.9
263.17728	4.3
269.19128	3.5
271.20587	3.3
271.24176	7.0
273.22046	6.4
281.19055	9.6
281.22620	35.9
281.31485	2.4
291.23099	3.8
299.20044	20.2
299.23685	43.8
300.23831	2.5
317.21075	38.5
317.24771	32.3
318.24701	2.8
335.22165	76.9
335.25885	19.3
336.22516	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03939	4.5
55.05508	18.2
57.03444	20.1
57.07065	3.7
65.03921	2.5
66.71301	2.0
67.05506	72.8
69.07067	15.5
70.50471	4.7
70.50804	4.4
71.05029	2.3
79.05499	34.6
81.07060	78.8
83.04984	2.4
83.08615	8.2
85.06517	2.5
91.05493	18.1
93.07042	49.3
95.04974	5.4
95.08609	57.5
97.06557	4.1
97.10193	4.6
97.88724	2.4
105.07018	13.9
107.08591	21.5
109.10149	29.5
117.07041	5.1
119.08577	9.7
121.10139	15.9
123.11695	9.8
131.08566	10.2
133.10161	9.4
135.11679	12.5
137.13237	3.6
145.10147	5.4
147.11728	5.8
149.13272	9.8
159.11716	5.0
161.13242	5.4
163.14827	4.5
173.13342	5.7
243.21086	5.7
261.22189	10.6
317.24686	3.2
326.88950	2.3
335.25821	100.0
336.26169	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.99211	1.1
53.03944	4.7
55.05514	22.4
57.03439	23.2
57.07073	3.5
65.03936	4.1
67.05506	100.0
68.05828	2.1
69.07073	22.3
71.04965	1.3
79.05494	48.1
80.05833	1.1
81.03459	1.4
81.07058	85.6
82.07398	1.7
83.04993	2.9
83.08609	9.8
85.06539	3.0
91.05485	23.2
93.07046	50.6
94.07401	1.8
94.13174	1.1
95.04966	4.3
95.08609	69.0
96.08889	1.5
97.06527	4.0
97.10175	3.3
98.22551	2.5
101.09088	1.3
102.58080	1.3
105.04528	2.1
105.07043	15.5
107.08597	27.0
109.10143	23.4
111.08112	1.5
117.07024	5.1
119.08581	12.5
120.08920	1.2
121.10149	21.7
123.08098	1.4
123.11711	9.0
131.08560	8.3
133.10126	9.6
135.11696	14.8
137.09724	1.1
137.13272	2.0
145.10118	6.7
147.11661	6.1
149.13292	6.6
159.11716	3.7
161.13264	4.7
163.14871	2.7
173.13284	4.5
175.14830	1.9
187.14909	2.6
219.17484	1.5
227.19751	1.2
243.21173	3.0
261.22214	7.2
335.25797	76.8
336.26334	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.5
54.67681	0.9
55.01860	1.3
55.05241	1.6
55.05510	24.4
57.03437	27.1
57.07067	3.0
65.03940	4.5
67.05505	92.8
68.05841	2.0
69.07071	24.4
71.04992	1.9
71.32399	0.9
74.30741	0.9
79.05493	48.4
81.03412	1.4
81.07057	81.9
82.07396	2.3
83.04988	2.5
83.08614	6.4
85.06567	1.4
91.05482	24.0
93.07045	49.7
93.45217	0.8
95.04963	3.4
95.05561	0.9
95.08604	65.0
96.08968	2.1
97.06529	3.1
97.10152	3.0
98.98463	2.0
105.04492	2.0
105.07028	14.7
107.08591	23.0
109.06531	2.3
109.10153	22.6
109.61489	0.8
110.10493	0.9
111.08082	1.6
117.06997	4.6
119.08584	10.4
121.10139	16.1
123.08063	1.3
123.11700	6.8
131.08549	7.0
132.07126	0.9
133.10103	7.2
135.11702	11.0
137.13257	1.8
145.10101	3.6
147.11725	4.2
149.13263	4.7
159.11710	2.5
161.13252	3.1
163.14883	2.2
173.13324	4.4
177.16386	1.4
187.14841	1.5
195.11688	1.2
208.01302	1.0
261.22214	2.4
279.57199	1.1
321.07593	1.0
335.09280	1.9
335.21872	100.0
335.25821	71.5
336.13663	1.3
336.22205	8.9
336.26157	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03935	3.2
55.01871	2.1
55.05511	19.7
57.03437	26.7
57.07084	5.6
58.03782	0.9
65.03925	2.2
67.05503	91.5
68.05848	1.9
69.07067	17.7
69.62404	4.7
71.04990	1.0
79.05491	52.8
81.07054	92.0
82.07384	3.1
83.04973	1.1
83.08620	9.7
85.06535	2.1
91.05479	22.2
93.07040	56.2
94.07387	1.1
95.04961	2.9
95.08604	77.8
97.06537	3.0
97.10181	3.1
98.22624	1.2
105.04567	1.5
105.07031	17.5
107.08594	32.8
108.08920	1.7
109.06525	1.9
109.09445	2.0
109.10152	30.9
109.10912	1.5
111.08076	1.9
117.07019	6.6
119.08580	14.1
121.10141	25.9
123.08073	1.3
123.11701	13.2
124.70288	1.1
131.08575	10.8
133.10127	13.1
135.11696	17.7
137.13228	3.9
145.10121	10.6
147.11671	7.3
149.13243	11.9
151.11130	1.2
152.77365	1.0
153.12714	1.0
159.11665	7.9
161.13245	8.6
163.14848	5.2
165.12738	1.1
173.13225	6.4
175.14827	2.8
179.14323	1.6
187.14845	3.9
201.16270	1.2
223.15152	1.4
240.45802	0.9
240.57677	1.1
243.21075	8.8
261.22131	12.3
277.66321	0.9
302.61081	1.0
302.64764	1.0
304.20544	1.0
317.17892	1.1
317.24542	4.3
335.19214	3.3
335.25803	100.0
336.26080	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.84743	0.6
53.03947	3.8
55.01873	1.2
55.05511	23.5
56.05861	0.5
57.03436	26.2
57.07070	2.8
65.03945	3.4
67.05503	100.0
68.05830	1.9
69.03433	0.7
69.07069	24.8
71.04997	3.0
71.08622	1.0
71.31020	0.6
71.31415	0.8
75.36633	0.6
79.05492	56.3
80.05821	0.9
81.03407	1.0
81.07055	94.3
82.07397	2.6
83.04987	3.1
83.08616	11.0
85.06553	2.7
91.05476	27.9
92.05790	0.9
93.07042	62.0
94.07401	1.6
95.04957	4.5
95.08604	74.1
96.08913	2.9
97.06531	4.1
97.10165	3.7
99.08103	1.9
105.04528	1.5
105.07024	15.6
107.08591	31.8
108.08932	0.9
109.06534	1.3
109.10154	32.5
110.10532	0.7
111.08094	1.7
111.11714	0.9
117.07024	5.0
119.08578	13.7
121.10138	21.5
122.10457	0.8
123.08085	1.2
123.11705	11.4
125.09657	1.0
129.05531	0.8
129.07042	1.0
131.08557	9.2
133.10129	10.5
135.08070	0.8
135.11688	13.6
137.09627	1.8
137.13277	2.6
139.39619	0.6
145.10121	6.7
147.11710	6.9
149.13258	8.1
150.13495	0.6
151.11269	1.4
159.11668	5.1
161.13277	5.7
163.14864	3.4
165.12825	1.4
171.11835	0.8
173.13274	4.7
175.14825	1.9
177.16432	0.9
179.14392	0.9
187.14870	2.7
189.16356	0.6
191.14377	1.4
195.35532	0.7
243.21107	3.6
261.22064	7.0
261.24295	0.7
262.09933	0.7
262.22504	0.8
277.08652	1.2
281.72675	0.6
291.10190	0.7
305.11755	1.3
314.79367	0.6
317.24805	2.1
335.12842	5.4
335.25803	85.2
336.13507	1.6
336.26074	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	3alpha,17alpha-Dihydroxy-5beta-pregnan-20-one
Peak:m/z	Relative Intensity
53.03944	5.0
55.01879	4.3
55.05513	17.7
57.03441	3.9
57.07074	3.9
60.17043	2.2
61.02931	2.9
67.05506	40.5
67.18800	2.3
69.03442	8.1
69.07069	16.9
71.04996	19.7
71.18705	5.0
73.02925	6.3
79.05492	30.1
81.07058	86.1
82.07397	2.4
82.36089	2.0
83.05001	7.7
83.08627	8.9
85.02931	5.5
85.06554	6.1
89.55386	2.0
91.05482	24.7
93.07043	72.6
93.07626	4.1
95.04986	6.9
95.08607	100.0
96.08936	4.1
97.02913	2.3
97.06535	17.4
97.10199	4.7
99.08126	2.2
105.07033	58.0
106.07394	3.4
107.08591	57.9
109.06520	10.7
109.10158	57.2
111.08080	2.9
113.09672	2.9
115.03967	3.4
116.16388	2.0
117.07035	10.2
119.08588	48.5
121.06519	6.9
121.10155	49.9
123.08066	10.1
123.11701	22.2
125.09622	4.2
128.06206	3.4
129.07002	8.9
131.08569	33.2
133.10132	39.9
135.08092	5.3
135.11679	34.9
137.09636	6.9
137.13303	2.6
141.07034	3.8
142.07771	5.2
143.08577	17.1
145.10121	47.8
146.10602	2.5
147.08112	2.7
147.11693	32.5
149.09653	6.8
149.13248	32.7
149.14319	3.0
151.11221	5.4
155.08568	7.6
157.10133	22.2
159.11690	52.0
161.09608	2.3
161.13248	21.2
163.11208	8.2
163.14841	15.3
169.10173	8.7
171.11694	16.7
172.12355	3.4
173.13263	30.7
175.11258	6.2
175.14835	30.7
176.15263	2.7
177.12767	6.7
177.16437	3.0
183.11726	7.1
185.13225	15.9
186.13873	2.3
187.14844	15.1
189.12801	4.7
189.16312	14.6
191.14349	5.4
195.11653	2.7
197.13303	7.0
199.14841	21.8
201.16408	27.3
203.14374	9.4
203.16293	2.8
203.17899	15.0
207.13870	2.5
211.14769	10.4
213.16342	12.2
215.14346	2.5
215.17877	11.6
217.15895	6.4
217.19531	7.5
219.13872	2.9
225.16339	11.1
227.18005	7.1
229.15915	3.7
229.19518	6.3
239.17941	6.2
241.19493	5.9
243.17493	3.3
253.19600	4.1
255.21095	49.5
256.21439	4.2
271.24295	8.4
273.22156	19.1
281.19510	4.4
281.22644	65.3
282.22992	5.8
291.23230	3.3
299.20361	4.7
299.23679	70.5
300.24103	8.8
317.17996	2.1
317.21121	10.2
317.24802	48.5
318.25186	5.4
335.09106	3.0
335.22208	19.8
335.25854	35.0
336.26123	3.4
357.33496	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03936	4.1
55.01872	1.4
55.05513	21.4
57.03440	27.8
57.07063	3.7
65.03933	3.0
67.05504	90.5
68.05823	1.5
69.03440	0.9
69.07066	20.5
70.34724	2.1
70.35094	1.8
71.04986	2.7
74.09702	1.0
79.05493	49.1
80.05798	1.7
81.07057	90.3
82.07382	2.1
83.04968	2.5
83.08620	8.2
85.06520	1.6
91.04961	1.7
91.05483	22.5
93.07043	54.7
95.04965	3.7
95.08606	75.7
96.08949	2.1
97.06533	3.2
97.10140	4.2
99.08118	1.1
105.04501	0.9
105.07030	17.6
107.08594	31.9
109.06517	1.3
109.10158	31.3
110.10395	1.2
111.08083	0.9
111.11746	1.0
117.07021	5.0
119.06107	1.1
119.08582	14.0
121.10151	26.5
123.08084	1.2
123.11709	12.6
124.12100	1.2
129.05447	1.3
131.08571	12.4
133.10126	11.2
135.11699	17.6
136.09081	1.1
137.09642	1.4
137.13263	3.4
139.11153	1.7
144.00819	0.9
145.10089	7.8
147.11670	7.3
149.13260	9.3
151.14859	1.4
159.11711	6.3
161.13248	6.7
163.14838	4.6
171.11484	0.9
173.13245	7.7
175.14822	3.0
177.16356	1.4
187.14833	4.1
201.16379	1.6
205.15918	1.1
209.15364	1.1
219.17458	0.9
243.21109	5.9
261.22137	12.9
279.23242	1.1
293.56033	0.8
299.23602	1.3
317.18008	1.3
317.24908	4.7
335.19299	2.5
335.25784	100.0
336.26147	6.6
353.19891	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05133	1.8
57.03439	71.8
59.71702	1.8
69.03436	2.6
69.13877	9.9
69.14283	4.9
79.05509	3.7
81.07011	2.2
85.02902	5.5
93.07043	9.0
95.08620	2.9
97.02950	3.2
108.93436	1.7
121.10146	42.8
131.61760	1.7
134.89108	1.8
139.11182	100.0
140.11510	5.4
199.67038	1.7
249.64294	1.8
298.80917	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.6
69.03432	1.0
69.07047	0.6
70.40316	0.4
71.29660	0.5
71.30040	0.5
81.07052	0.5
85.02906	1.0
88.42829	0.3
90.13214	0.4
91.05476	0.9
93.07057	0.6
95.08643	0.4
97.06565	0.6
99.08097	1.9
105.07090	0.7
107.08615	0.6
109.10173	0.5
119.41731	0.5
122.23412	0.5
133.10141	0.5
137.05974	0.4
141.09134	0.9
145.10109	0.5
159.10182	1.1
163.03961	0.7
175.03662	9.3
182.19786	0.4
185.04208	13.0
291.13669	0.5
330.11902	0.5
337.08914	100.0
338.09259	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0894
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
55.97075	1.1
56.23133	1.2
60.05637	1.8
70.06587	5.2
71.28867	1.5
71.29264	1.8
84.08158	1.4
101.00861	1.8
117.76962	1.3
119.01925	2.1
127.02399	2.9
145.03465	3.8
157.03490	2.8
173.02873	2.3
217.02034	3.2
229.01958	1.8
235.02954	1.5
257.16165	1.6
275.06033	1.4
305.47708	1.3
336.95050	2.0
337.09030	100.0
337.17346	3.9
338.09274	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	4.2
62.16418	2.0
69.57296	10.9
69.57684	5.4
86.49562	2.4
94.13454	2.8
98.23409	4.0
98.97585	9.9
111.08189	2.5
111.58700	2.2
128.74249	3.0
152.72710	2.2
154.24194	2.5
187.55875	2.7
263.00616	3.2
277.09695	2.9
337.08939	100.0
338.09253	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0894
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
53.03946	0.6
65.03943	0.6
67.05493	1.4
69.03410	0.7
70.86061	1.0
71.04965	1.0
74.82504	0.4
76.97804	0.5
79.05479	0.7
81.03424	0.5
83.04978	0.8
85.02895	1.4
89.03905	1.1
91.05465	0.5
95.04968	2.1
97.02874	0.6
98.97558	0.5
99.04430	2.3
107.04958	0.9
110.06032	0.6
111.04446	0.5
113.06017	0.7
117.03346	1.2
121.02874	0.6
123.04414	1.7
128.94827	0.5
131.04933	0.8
135.04431	5.3
136.07579	2.7
136.57172	0.5
137.05925	0.7
139.03937	0.8
141.05447	2.3
145.02827	1.6
147.04382	0.6
147.05482	0.7
150.05537	0.7
158.05988	1.0
159.06511	4.6
163.03912	14.6
164.04274	0.6
164.07050	4.3
168.06593	0.7
170.09689	0.6
171.04414	0.5
175.03676	1.4
176.07051	1.5
181.04962	0.6
182.08142	2.4
185.04253	0.8
189.05472	0.6
191.07031	1.0
192.19026	0.5
198.09114	1.8
203.05190	1.1
216.10245	1.3
219.06468	0.9
221.05701	1.2
231.11102	0.5
241.09747	1.1
259.10739	0.7
275.09579	0.8
275.12518	5.4
276.12363	1.1
277.07059	1.0
283.10794	0.8
301.11859	0.6
319.12854	5.3
337.08923	100.0
337.12512	3.9
338.09186	5.9
338.12698	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1068
Annotation	Dulciol D
Peak:m/z	Relative Intensity
55.05509	1.9
57.03423	1.5
57.07052	0.4
59.43434	0.4
67.05498	5.6
69.07070	3.0
69.20207	1.3
69.20634	1.2
79.05497	2.2
81.07054	4.7
83.08612	1.6
86.26037	0.3
91.05428	0.7
93.07025	1.3
95.04927	0.5
95.08618	4.2
97.10172	0.6
98.05025	0.4
105.07022	0.7
107.08573	0.9
109.10151	1.8
112.65031	0.3
119.08591	0.8
121.10145	0.5
123.11702	0.4
133.10104	0.5
135.11644	0.6
152.06160	0.4
153.06943	0.4
165.06993	2.4
166.07762	0.6
167.08636	0.6
176.06233	0.7
177.07002	1.4
178.07788	2.6
179.08504	1.3
180.05692	0.4
180.09280	0.7
181.06456	0.5
189.06969	1.5
190.07733	1.9
191.08549	3.0
192.09337	0.8
193.06419	1.9
193.10002	0.6
194.07310	1.4
195.08067	2.1
196.08760	0.4
202.07819	0.7
204.05646	0.6
205.06499	3.1
205.88721	0.4
206.07234	1.4
207.04439	0.4
207.07951	2.4
208.05231	1.0
208.08885	1.1
209.05962	1.0
209.09561	1.3
211.10895	0.4
218.07278	1.9
219.08020	4.9
220.08653	1.7
221.05948	4.2
221.09579	1.0
222.06682	1.9
223.03922	0.5
223.07521	3.7
224.08102	0.9
232.05049	0.7
233.05997	2.3
233.09567	0.7
234.06705	2.2
235.07529	5.1
236.04756	0.9
236.08240	3.1
237.05536	1.9
237.09073	4.2
238.06166	1.1
238.09583	0.5
239.07030	0.7
246.06760	0.6
247.07512	5.6
248.04756	0.4
248.08276	4.2
249.05441	5.1
249.09074	2.8
250.06186	3.6
250.09895	1.0
251.07002	11.2
251.10774	1.7
252.07784	3.5
253.08553	0.5
260.04962	0.4
261.05402	2.5
262.06192	4.8
263.07004	18.0
264.04193	2.6
264.07700	7.6
265.04950	4.3
265.08566	8.7
266.05701	6.4
266.09296	2.3
267.06531	0.6
267.09909	0.5
275.07025	4.8
276.07806	7.4
277.04996	1.3
277.08508	8.7
278.05945	3.0
278.08804	2.7
279.06491	26.2
279.10080	6.8
280.07224	9.7
280.10504	0.5
281.07819	1.0
281.11542	0.7
283.09622	0.5
289.04935	0.7
290.05722	8.9
291.06473	5.6
291.09683	0.4
292.07199	3.0
293.04578	1.5
293.08038	15.8
294.05286	2.5
294.08780	19.7
295.06152	1.0
295.09579	14.8
296.09949	1.2
303.06433	0.9
304.07300	7.1
305.08041	24.3
306.05228	0.6
306.08786	10.2
307.05945	17.0
307.09576	8.2
308.06595	3.7
308.10196	0.9
309.07516	1.9
309.11090	12.0
310.08182	0.5
310.11520	1.2
319.06030	0.7
319.09613	0.7
321.04114	0.6
321.07562	5.5
322.08286	20.2
323.05234	0.9
323.09079	18.7
337.07062	8.6
337.10657	100.0
337.27191	4.7
338.07681	1.1
338.11282	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1432
Annotation	Eryvarin D
Peak:m/z	Relative Intensity
52.43971	0.1
55.01884	0.2
55.05505	0.2
56.02650	0.1
57.03449	0.1
57.07068	0.3
59.04979	0.1
66.53847	0.1
67.05516	0.1
69.07045	0.1
71.32508	0.1
75.04490	0.2
79.05496	0.1
81.07061	0.1
85.02898	3.9
91.05497	0.2
95.05000	0.1
95.08611	0.1
99.04470	0.2
106.10243	0.1
123.08074	0.1
128.18298	0.1
131.04947	0.1
141.07021	0.1
146.25174	0.1
148.11876	0.1
151.07591	0.2
152.06181	0.2
153.06987	0.2
165.06932	0.7
165.09119	0.2
166.07767	0.2
167.08604	0.3
169.06512	0.1
176.06166	0.1
177.06990	0.2
178.06358	0.1
178.07719	0.5
179.08502	0.7
180.09299	0.3
181.06537	0.6
181.10147	0.2
182.07230	0.3
183.08023	0.2
184.05098	0.1
189.05432	0.1
189.07019	0.4
190.07713	0.8
191.08546	1.1
192.05731	0.2
192.09306	0.4
193.06528	0.4
193.10138	0.5
194.07196	0.7
195.08012	0.7
195.11694	0.3
196.05161	0.1
196.08762	0.1
197.05974	0.4
197.09610	0.2
198.06717	0.2
202.07735	0.7
203.08562	1.0
204.09323	0.3
205.06493	1.1
205.10095	1.8
206.07288	0.5
206.10796	0.3
207.04424	0.2
207.08034	1.0
207.11688	0.3
208.05200	0.2
208.08777	1.3
209.05919	0.6
209.09578	1.0
210.06775	0.5
211.07555	0.5
212.04726	0.1
215.08600	0.4
216.09348	0.3
217.06567	0.1
217.10120	0.6
218.07265	1.5
218.10875	0.2
219.08041	3.1
219.11626	0.3
220.05316	0.2
220.08812	1.2
221.05994	2.3
221.09517	1.4
221.13139	0.1
222.06728	3.7
222.10349	0.3
223.04010	0.2
223.07538	2.1
223.11090	2.1
224.04858	0.1
224.08316	0.6
224.11719	0.2
225.05495	0.1
225.09062	0.6
226.06229	0.2
226.09764	0.1
227.06950	0.3
229.06531	0.1
230.07253	0.3
231.08014	1.2
231.11688	0.1
232.05118	0.1
232.08807	0.9
233.06081	0.8
233.09572	4.5
234.06725	1.0
234.10301	1.5
235.03792	0.2
235.07520	6.0
235.11096	2.1
236.04842	0.4
236.08279	3.9
236.11806	0.2
237.05469	1.9
237.09048	2.8
237.12816	0.2
238.06187	2.2
238.09758	0.7
239.06885	0.6
239.10622	0.4
241.08510	0.3
243.08133	0.4
244.08806	0.3
245.05986	0.2
245.07230	0.1
245.09578	1.4
246.06708	0.6
246.10297	0.6
247.07513	3.7
247.11180	0.9
248.04535	0.2
248.08292	3.1
248.11896	0.4
249.05444	1.0
249.09090	4.0
249.12740	1.4
250.06221	1.5
250.09811	1.6
250.13361	0.2
251.07019	3.2
251.10651	7.6
252.03920	0.1
252.07709	1.5
252.11362	1.2
253.08517	2.5
253.11482	0.2
253.12108	0.1
254.09088	0.3
258.06927	0.3
258.10379	0.1
259.07513	1.2
259.11221	0.4
260.08295	1.0
260.11819	0.5
261.05524	1.2
261.09085	5.5
262.06326	0.4
262.09830	4.3
263.07050	3.6
263.10638	9.3
264.04495	0.2
264.07773	3.4
264.11340	2.4
265.05002	0.8
265.08575	4.9
265.12192	3.1
266.05707	1.2
266.09329	1.5
266.12860	0.8
267.06531	0.8
267.10132	2.3
267.13196	0.1
268.07324	0.2
268.10242	0.1
273.09027	0.9
274.06723	0.2
274.09869	0.7
275.07004	3.8
275.10614	2.3
276.07785	4.9
276.11380	2.8
276.14423	0.2
277.05133	0.3
277.08542	5.9
277.12149	3.2
278.05746	0.4
278.09314	2.6
278.12943	2.9
279.06577	3.1
279.10132	15.7
280.07260	1.3
280.10803	3.5
281.08081	1.7
281.11572	0.4
281.15430	0.4
282.08774	0.7
287.10684	0.3
288.11362	0.1
289.05283	0.2
289.08588	3.2
289.12146	0.6
290.05884	0.5
290.09344	5.0
290.12833	0.6
291.10117	25.0
292.07257	2.0
292.10803	6.1
292.14056	0.2
293.04672	0.3
293.08035	3.9
293.11667	6.9
294.05310	0.4
294.08789	2.5
294.12421	5.3
295.06491	0.1
295.09604	2.5
295.13165	1.9
296.10446	1.2
303.10251	0.3
304.07211	0.6
304.10925	1.3
305.04410	0.1
305.08032	2.6
305.11685	5.7
306.08923	1.5
306.12433	21.4
307.06012	2.0
307.09576	19.8
307.13065	3.7
308.06683	0.4
308.10257	4.3
308.13876	0.4
309.07483	0.3
309.11157	2.0
309.14804	6.6
310.11969	0.2
310.15280	0.6
319.09564	0.2
319.13190	1.1
319.22449	0.6
320.13647	0.2
321.07535	0.6
321.11133	4.3
322.08426	1.9
322.11932	23.8
323.09045	2.0
323.12628	12.9
337.10693	10.7
337.14270	100.0
338.11279	2.2
338.14917	22.0
338.23373	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1434
Annotation	Eryvarin D
Peak:m/z	Relative Intensity
53.00302	0.1
55.01863	0.2
55.05492	0.1
57.07072	0.1
67.05499	0.1
69.07088	0.1
79.05485	0.1
81.07033	0.2
85.02901	4.5
91.05496	0.1
93.07043	0.1
95.04950	0.1
95.08593	0.1
97.04855	0.1
99.04446	0.3
105.07070	0.1
108.70627	0.1
115.05458	0.1
129.06964	0.1
132.64018	0.1
139.05444	0.1
145.06404	0.1
152.06184	0.1
153.06975	0.1
154.07811	0.1
155.08521	0.1
159.08022	0.1
165.06927	0.6
166.07730	0.1
167.08546	0.3
171.08023	0.1
176.06201	0.1
177.06949	0.2
178.07727	0.5
179.08575	0.7
180.09315	0.2
181.06493	0.6
181.10112	0.4
182.07227	0.3
183.04276	0.1
183.08029	0.2
184.05153	0.2
189.06891	0.5
190.07762	0.7
191.08553	1.0
192.05638	0.2
192.09300	0.4
193.06442	0.2
193.10118	0.5
194.07259	0.5
195.08041	0.8
195.11681	0.3
196.05180	0.1
196.08765	0.1
197.06004	0.4
197.09595	0.2
198.06726	0.2
199.07535	0.1
202.07849	0.6
203.08548	1.0
204.05708	0.1
204.09232	0.3
205.06487	0.9
205.10114	1.8
206.07249	0.7
206.10707	0.3
207.04294	0.1
207.08040	0.9
207.11783	0.3
208.05205	0.2
208.08769	1.3
209.05934	0.6
209.09561	0.9
210.06793	0.4
210.10266	0.2
211.07564	0.5
211.16536	0.1
212.08253	0.1
213.05428	0.1
215.08636	0.5
216.09370	0.4
217.06563	0.1
217.10132	0.8
218.07286	1.4
218.10797	0.2
219.08049	3.5
219.11324	0.4
220.05183	0.2
220.08807	1.6
221.06010	2.2
221.09550	1.3
221.13004	0.1
222.06729	3.9
222.10059	0.6
223.04021	0.1
223.07536	1.7
223.11111	2.3
224.08237	0.6
224.11633	0.1
225.09114	0.5
226.06143	0.3
226.09698	0.1
227.06978	0.3
229.06657	0.1
229.10013	0.1
230.07158	0.3
230.10924	0.1
231.08052	1.3
231.11656	0.1
232.08789	1.0
233.06180	0.5
233.09581	4.9
234.06747	0.9
234.10339	1.7
235.03748	0.2
235.07520	5.9
235.11140	2.5
236.04898	0.3
236.08275	4.0
236.11650	0.3
237.05434	2.1
237.09053	2.6
237.12512	0.3
238.06239	2.8
238.09767	0.7
239.06937	0.6
239.10611	0.6
240.07660	0.1
241.08531	0.5
243.08025	0.4
244.08789	0.3
245.05916	0.2
245.09589	1.8
246.06802	0.4
246.10266	0.7
247.07516	3.4
247.11136	0.8
248.04486	0.2
248.08299	3.4
248.11880	0.6
249.05511	0.7
249.09071	4.3
249.12732	1.4
250.06229	1.5
250.09825	1.6
250.13370	0.2
251.07019	3.3
251.10640	7.9
252.07773	2.1
252.11270	1.2
253.08571	2.9
254.09239	0.2
255.10002	0.1
257.05786	0.1
258.06717	0.3
258.10587	0.1
259.07538	1.6
259.10916	0.5
260.05240	0.1
260.08289	1.0
260.11908	0.7
261.05542	1.1
261.09079	6.5
262.06384	0.3
262.09839	4.8
263.07068	1.9
263.10632	10.4
264.04340	0.1
264.07770	3.2
264.11310	2.5
265.05099	0.3
265.08557	4.3
265.12192	3.4
266.05722	1.0
266.09299	1.6
266.12857	1.0
267.06525	0.8
267.10114	2.4
267.13586	0.3
268.07156	0.1
268.10660	0.2
272.08325	0.1
273.09052	1.1
274.06311	0.3
274.09818	0.9
275.07004	3.6
275.10596	2.2
276.07767	5.6
276.11371	3.0
277.05240	0.2
277.08536	6.2
277.12143	3.2
278.05713	0.2
278.09326	2.7
278.12939	2.7
279.06610	2.0
279.10117	16.9
280.07269	0.8
280.10785	3.8
280.14169	0.2
281.08066	2.1
281.11548	0.5
281.15332	0.4
282.08780	0.7
282.15570	0.1
287.10501	0.4
288.11517	0.1
289.08563	3.9
289.12143	0.7
290.09357	5.8
290.12833	0.6
291.10129	28.0
292.07269	2.1
292.10764	6.3
292.13754	0.1
293.08029	2.5
293.11664	8.0
294.05322	0.2
294.08801	1.6
294.12424	6.1
295.06369	0.1
295.09610	1.7
295.13168	1.8
296.10434	1.2
303.10129	0.2
304.07339	0.2
304.10843	1.6
305.04681	0.1
305.08145	0.4
305.11661	5.5
306.12448	24.0
307.09659	22.4
307.13037	3.8
308.10266	4.4
308.13904	0.4
309.07397	0.3
309.11142	1.5
309.14807	6.8
310.08249	0.1
310.11948	0.1
310.15268	0.6
319.06137	0.1
319.09567	0.3
319.13251	1.2
320.10397	0.1
320.13742	0.2
321.03128	0.1
321.11188	4.6
322.11942	25.3
323.09341	0.4
323.12671	12.1
335.12839	0.1
337.10986	4.6
337.14279	100.0
338.11670	0.8
338.14886	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1794
Annotation	Asperrubrol
Peak:m/z	Relative Intensity
53.03947	0.6
55.01864	1.4
55.05508	1.9
67.05503	1.9
69.03426	1.7
69.07059	0.9
70.33025	0.7
71.04983	0.4
75.44299	0.3
76.79225	0.3
79.05493	3.1
81.07070	2.5
83.04988	5.8
83.08618	0.3
89.76945	0.3
91.05475	4.3
93.07053	4.9
94.04253	0.3
95.04976	1.2
95.08608	3.0
95.82133	0.3
97.06524	0.8
98.22631	0.3
98.97549	0.7
103.58563	0.3
105.07029	15.3
106.07388	0.6
107.04951	2.3
107.08598	1.5
108.30912	0.3
109.02874	0.3
109.06538	1.4
111.04451	3.1
111.08076	1.6
113.05994	0.4
115.05453	0.9
116.98600	0.6
117.07008	1.5
119.04917	0.5
119.08562	2.0
121.06509	4.2
123.08099	0.7
128.06204	1.6
129.06992	2.3
131.04974	0.8
131.08578	2.7
133.06488	39.3
133.10133	1.1
134.06821	1.3
135.08072	2.1
135.08963	0.4
137.06000	0.8
139.07568	0.8
141.06970	2.5
142.07773	1.7
143.08563	3.5
144.09328	0.4
145.06502	1.4
145.10132	1.9
147.08063	1.0
147.11693	0.4
152.06219	0.8
153.07008	2.1
154.07767	2.1
155.08557	11.3
156.09412	1.8
157.06490	0.7
157.10124	2.6
158.07257	0.7
159.08098	1.9
159.11728	1.1
161.09592	1.1
163.07645	0.5
165.06984	2.4
166.07892	1.6
166.09084	0.4
167.08533	2.8
168.05713	0.4
168.09314	1.4
169.06439	0.7
169.10130	7.9
170.10704	0.6
171.08054	1.7
171.11691	1.9
173.09625	2.5
175.07605	0.5
175.11191	0.4
178.07805	1.8
179.08554	4.3
180.09383	2.4
181.06502	1.1
181.10097	4.0
182.07314	1.4
182.10887	1.2
183.08070	4.1
183.11697	3.2
184.08646	0.5
184.12341	0.4
185.09572	2.0
185.13243	0.7
187.07680	0.4
187.11200	1.0
189.07083	0.4
190.07787	0.8
191.08521	1.9
192.09311	2.1
193.10120	4.4
194.10861	1.7
195.08055	2.2
195.11708	6.2
196.08830	3.0
196.12325	0.6
197.05872	0.4
197.09608	7.7
197.11513	0.4
197.13202	1.7
198.10373	2.8
199.11176	3.5
200.11823	0.4
202.07817	0.9
203.08525	1.9
204.09415	1.6
205.10120	3.4
206.10947	2.2
207.07983	0.7
207.11693	4.2
208.08902	1.1
208.12364	1.0
209.09656	4.0
209.13228	2.8
210.10403	2.6
210.14012	0.5
211.11124	3.8
211.14618	0.4
212.11917	0.4
213.09117	1.2
213.12665	0.7
215.08612	0.9
215.10732	2.5
216.09325	1.0
217.10243	1.9
217.12187	0.6
218.10815	2.5
219.08163	0.7
219.11653	3.8
220.08929	0.5
220.12463	2.2
221.09668	1.3
221.13249	2.7
222.10474	1.2
222.13928	0.3
223.11186	10.8
223.14706	0.8
224.11815	1.3
225.09218	0.4
225.12711	3.5
226.13434	0.6
227.14278	4.0
229.10144	1.4
230.10873	1.5
231.11674	1.9
232.08769	0.8
232.12444	1.4
233.09583	1.0
233.13245	5.2
234.10262	0.5
234.13934	1.8
235.11203	3.1
235.14767	3.2
236.11963	0.6
236.15353	0.5
237.09138	0.6
237.12706	3.2
237.16356	0.5
238.13528	4.6
239.10699	0.5
239.14252	1.4
243.11758	2.2
244.12524	1.7
245.13255	1.2
246.10394	0.6
247.11269	1.2
247.14819	1.5
248.11966	0.7
248.15361	0.4
249.12718	2.6
249.16415	1.2
250.13307	0.6
251.14339	0.8
253.12300	0.7
255.11589	0.4
255.13846	1.5
256.14105	0.4
258.14093	1.4
259.11450	0.3
259.12048	0.4
259.14847	2.7
260.15549	0.5
261.12805	2.2
262.13528	1.1
263.10712	1.2
263.14316	1.6
263.17670	0.5
264.11703	0.4
264.14804	0.4
265.12375	0.6
265.15714	0.7
267.13840	0.8
271.11270	0.6
273.16476	2.1
275.14456	1.0
275.17902	0.6
276.15057	0.7
277.12354	1.0
277.15802	5.9
278.16336	0.8
279.13873	7.4
280.14380	0.7
281.11804	0.7
283.14902	0.5
286.13599	1.2
289.12204	0.4
291.14301	0.3
291.17435	6.5
292.17792	0.7
293.15579	0.8
293.18985	1.4
295.17102	0.7
301.15842	1.9
307.11044	0.6
307.14645	0.9
309.18448	1.9
319.16922	9.5
320.17270	1.0
322.13257	0.7
322.16867	1.1
323.14136	0.8
337.18015	100.0
338.18402	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1796
Annotation	Tephrowatsin B
Peak:m/z	Relative Intensity
50.19282	0.5
53.03933	0.5
55.01872	0.6
55.05519	1.3
57.03430	0.3
61.99054	0.3
67.05508	1.4
69.03443	1.8
69.04347	2.6
69.04622	0.2
69.07072	0.5
79.05502	2.2
81.03405	0.6
81.07038	0.7
83.04978	2.8
86.09738	0.3
91.05458	1.4
93.07039	2.7
94.59960	0.3
95.04969	1.7
95.08603	2.7
97.06491	0.4
98.35957	0.3
98.97580	1.2
103.05474	0.6
105.07029	19.8
106.07361	0.6
107.04961	2.5
107.08588	1.0
109.06525	0.5
109.10190	0.4
111.04450	1.9
111.08080	1.6
115.05484	0.4
116.98632	0.6
117.07012	0.6
118.04115	0.4
119.08589	1.0
121.06506	0.9
122.21987	0.3
128.06230	0.5
129.07018	0.9
131.04935	0.8
131.08563	1.2
133.06490	60.6
134.06841	2.4
137.06001	0.3
139.07573	0.7
141.06981	0.5
141.51111	0.3
142.07765	0.7
143.08592	1.4
144.09346	0.4
145.06453	1.4
145.10114	0.5
147.08017	0.3
153.07031	0.6
154.07700	0.4
155.08566	1.6
156.09329	0.8
157.06474	0.3
157.10110	1.0
159.08040	0.7
159.11708	0.6
165.06987	1.5
167.08525	1.6
168.09355	0.7
169.06500	0.4
169.10104	1.3
170.10905	0.4
171.07982	0.3
171.11678	0.3
178.07852	0.5
179.08554	1.4
180.09270	0.8
181.06471	1.3
181.10126	1.4
182.07275	1.2
182.10841	0.4
183.08055	3.7
183.11717	1.1
187.46504	0.3
191.08516	0.4
192.09337	0.6
193.10155	1.4
194.10915	0.7
195.08061	1.2
195.11685	1.9
196.08855	3.1
196.12053	0.3
197.09619	4.5
197.13278	0.9
198.10483	1.3
199.11142	0.7
203.17981	0.6
205.10143	0.6
207.07835	0.3
207.11649	0.6
208.08864	1.2
208.12105	0.3
209.09590	3.4
209.13249	0.8
210.10397	2.8
210.13747	0.3
211.11163	3.7
213.12624	0.3
217.09959	0.3
219.11647	0.7
220.12491	0.3
221.09621	0.7
221.13190	0.7
222.10362	0.8
223.11177	10.6
224.11757	1.1
225.12761	2.9
226.13438	1.1
227.14325	0.9
233.09744	0.4
233.13373	0.3
234.10280	0.5
235.11142	0.7
237.12784	2.2
238.13486	4.3
239.14180	1.0
245.09549	0.3
245.13280	0.4
247.11278	0.3
249.12688	0.8
251.10690	0.5
251.14394	0.4
255.13765	0.6
258.13550	0.3
263.07169	0.5
263.14340	0.4
263.17957	0.4
279.06610	0.5
279.10245	0.3
282.08408	0.3
291.10199	0.6
291.17355	0.8
293.08060	0.4
294.08783	0.6
305.08008	0.8
307.06100	0.5
307.09674	0.6
309.18497	0.4
319.16638	1.3
322.12091	0.6
323.09198	0.6
334.21115	0.3
337.17963	100.0
338.11600	0.4
338.18298	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1794
Annotation	Asperrubrol
Peak:m/z	Relative Intensity
50.19287	0.2
50.30816	0.1
52.34069	0.2
53.03936	0.6
55.01860	0.5
55.05511	1.8
57.03434	0.3
62.06299	0.1
65.03925	0.3
67.05505	1.5
67.94018	0.1
69.03433	2.5
69.07053	0.2
70.67421	0.3
70.67741	0.3
77.03935	0.3
79.05490	1.5
81.03441	0.2
81.07036	0.7
83.04980	6.5
83.08581	0.2
91.05476	1.7
93.07047	3.0
95.04965	1.3
95.08600	2.2
97.06513	0.4
99.04436	0.3
103.05482	0.3
105.04523	0.3
105.07025	11.4
106.07341	0.3
107.04957	4.1
107.05693	0.2
107.08587	1.0
109.02895	0.2
109.06519	0.4
111.04432	3.7
111.08086	1.9
114.48184	0.2
115.05439	0.5
117.07005	0.3
119.08591	0.7
121.06533	0.9
121.07252	0.2
123.08064	0.3
125.06006	0.3
126.27342	0.1
127.82294	0.2
128.06229	0.5
129.07014	0.8
131.04936	0.6
131.08546	1.0
131.52490	0.2
133.06487	38.1
134.06801	1.2
139.07529	0.4
141.06972	1.1
142.07802	0.8
143.08548	0.9
144.05730	0.3
144.09283	0.2
145.06454	1.0
145.10085	0.4
147.07994	0.3
153.07047	0.8
154.07784	0.8
155.08560	2.6
156.09299	0.6
157.06497	0.5
157.10162	1.2
158.07274	0.3
159.08035	0.8
159.11702	0.4
159.69781	0.2
160.08775	0.2
161.09604	0.2
165.06970	1.7
166.07704	0.8
167.08565	1.6
168.05664	0.4
168.09331	1.0
169.06483	0.5
169.10127	2.9
170.10854	0.4
171.08032	0.8
171.11690	0.8
172.08839	0.4
173.09587	0.4
177.07051	0.2
178.07758	0.4
179.08572	1.7
180.09302	1.3
181.06482	1.4
181.10107	2.0
182.07291	3.1
182.10889	1.2
183.08049	6.9
183.11650	2.0
184.08682	0.5
185.09621	0.5
185.13326	0.2
187.11162	0.3
191.08565	0.5
192.09309	1.0
193.10126	1.5
194.10890	1.0
195.08008	1.9
195.11697	3.2
196.08830	4.8
196.12140	0.3
197.09612	8.3
197.13260	1.6
198.10370	3.1
199.11229	1.2
203.08609	0.3
204.09373	0.3
205.10159	1.3
206.10966	0.7
207.08144	0.3
207.11682	1.6
208.08846	1.3
208.12288	0.2
209.09604	6.7
209.13016	1.3
210.10391	5.3
210.13942	0.5
211.11165	4.9
211.14853	0.5
212.11977	0.9
216.09312	0.5
217.10164	0.5
218.11015	0.4
219.11711	1.0
220.12427	0.7
221.09616	0.6
221.13156	0.9
222.10413	0.8
222.13701	0.2
223.11171	18.5
224.11809	2.1
225.09254	0.3
225.12724	4.8
225.16103	0.2
226.13501	2.3
227.14296	3.2
229.10077	0.2
231.11659	0.6
232.12555	0.3
233.09642	0.3
233.13278	0.7
234.10399	0.6
234.13872	0.3
235.11139	1.0
235.14778	0.6
237.12732	4.3
238.13492	6.4
239.14183	1.3
243.11737	0.7
245.09674	0.3
245.13324	0.4
246.10471	0.3
247.11154	0.8
247.14914	0.3
248.11929	0.4
249.12701	1.6
249.16476	0.4
250.13348	0.3
251.14381	0.3
255.13730	0.3
258.14059	0.3
259.11023	0.4
261.12711	0.6
262.13443	0.5
263.14258	0.9
263.17767	0.3
264.14774	0.3
265.10190	0.2
271.11053	0.2
273.16360	0.5
276.15237	0.5
277.13037	0.2
277.15823	1.3
278.16507	0.2
279.11520	0.3
286.13553	0.5
289.12543	0.2
291.17474	1.5
292.12213	0.4
292.17844	0.2
293.13129	0.6
294.13861	0.5
301.15887	0.7
304.14850	0.2
304.18134	0.2
307.10904	0.3
307.14871	1.1
308.15323	0.3
309.18555	0.3
319.17010	2.4
320.17361	0.3
321.12323	0.2
321.15900	0.2
322.10172	0.2
322.13446	0.7
322.17136	1.0
323.14291	0.6
323.17822	0.4
337.17984	100.0
338.18341	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2372
Annotation	15H-11,12-EETA
Peak:m/z	Relative Intensity
53.03943	4.4
55.01857	3.6
55.05511	75.5
57.03440	2.5
57.07061	6.0
59.04984	4.0
65.03939	2.7
67.05502	32.0
69.03438	10.6
69.06725	3.4
69.07069	43.6
71.01354	3.8
71.04996	23.1
79.05498	24.7
81.07056	68.1
83.04980	22.3
83.08617	9.9
84.05308	2.6
85.06530	8.2
91.05475	21.8
93.07043	53.6
93.83759	2.2
94.07362	2.4
95.04967	14.8
95.08606	58.6
97.06513	15.0
97.10168	100.0
98.10522	3.4
99.04465	3.7
99.08086	4.1
103.05486	3.4
105.07027	32.5
107.08595	50.5
109.06532	10.4
109.10155	44.2
111.08048	6.9
111.11735	5.0
117.07018	4.9
119.08576	29.3
121.06504	8.1
121.10143	38.3
123.08070	11.3
123.11648	9.8
125.05992	2.7
125.09628	22.7
129.07010	2.8
131.08560	8.0
133.10146	21.2
135.08064	7.0
135.11697	26.7
137.05972	2.6
137.09602	12.5
137.13235	3.4
139.11182	13.4
141.09113	6.2
142.07683	2.3
143.08533	4.9
143.10663	29.4
145.10121	15.1
147.08087	3.9
147.11647	9.8
149.09598	8.3
149.13266	16.6
151.07529	6.4
151.11191	13.0
153.09137	3.1
153.12717	4.6
155.10538	2.6
157.10121	7.1
157.12268	5.4
159.11711	15.9
161.09604	6.1
161.13235	7.2
162.05516	6.3
163.11148	13.2
163.14856	3.9
165.09166	5.6
165.12737	4.2
167.10664	4.8
167.14391	3.0
169.10089	2.6
170.07314	2.4
171.11652	3.3
173.13223	7.1
175.11168	7.2
175.14851	8.0
177.12711	6.5
179.10599	4.0
181.12199	7.9
183.11722	2.8
185.13258	2.9
187.11081	2.1
187.14809	4.9
189.11337	2.7
189.16544	2.4
195.13849	2.8
199.14763	3.4
203.14279	6.2
207.13634	2.3
221.15289	3.4
228.97035	2.4
255.21283	3.2
273.22113	5.7
275.68799	2.4
283.20654	3.9
284.21182	2.5
291.11145	4.7
291.23184	7.1
293.21066	5.5
294.67880	2.1
301.21570	23.8
301.24896	3.0
302.21796	3.0
319.22705	22.8
337.17850	3.3
337.23737	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2373
Annotation	Dihydroflexibilide
Peak:m/z	Relative Intensity
53.03922	0.4
55.01855	1.0
55.05515	5.6
56.54292	0.3
57.03437	2.2
57.07057	1.1
65.03916	0.4
67.05502	7.5
68.05830	0.5
69.07076	3.5
69.17551	2.4
71.04964	0.4
71.08621	2.6
79.05486	2.7
81.07060	9.2
82.00936	0.4
82.07358	0.3
83.04954	0.8
83.08620	2.6
85.06499	0.4
91.05499	1.9
93.07040	4.4
95.04949	0.5
95.08610	9.2
97.06504	1.1
97.10139	1.3
98.23225	1.1
99.08054	1.1
100.66908	0.3
105.07017	2.1
107.08601	3.6
108.08911	0.3
109.06513	2.3
109.10153	3.5
111.04436	2.9
111.08073	1.1
119.08576	2.4
121.06478	0.5
121.10134	1.6
123.08064	5.9
123.11660	1.3
124.08906	0.5
125.05984	1.5
125.09651	0.6
131.08577	0.6
133.06474	0.5
133.10114	1.7
135.08040	1.6
135.11714	1.6
135.12546	0.3
137.05936	1.4
137.09576	0.9
137.13231	0.8
139.07538	0.8
143.08525	0.4
145.10088	0.7
147.11668	1.3
149.09627	0.8
149.13231	0.5
151.06401	0.7
151.07552	10.0
152.08331	3.4
153.12624	0.3
155.08505	0.4
157.10115	0.7
159.11766	0.4
161.09639	0.5
161.13251	0.7
163.07544	0.3
163.11145	0.7
163.14821	0.5
164.08295	0.6
165.09123	12.0
165.12776	0.5
166.09647	1.0
169.09937	0.3
175.11177	0.4
175.14789	0.5
177.09093	0.7
177.12772	0.5
178.09883	0.4
178.55283	0.3
179.10637	1.9
179.14291	1.0
181.12135	0.6
183.86382	0.4
189.25978	0.3
191.10617	0.9
193.12259	1.6
193.15918	0.4
195.13800	1.3
197.13298	0.7
207.13853	0.4
208.14609	1.7
209.15332	0.9
217.86101	0.4
219.07893	0.4
219.13835	3.3
221.15334	3.8
234.16058	0.5
235.16946	0.7
245.22635	0.5
262.06326	0.4
263.06940	0.6
263.23703	0.4
264.07706	1.0
277.08621	0.5
277.21609	1.3
279.06503	0.5
279.10013	0.6
291.23187	5.7
292.10873	0.4
292.23599	0.4
294.08719	0.4
295.09677	0.3
301.21591	0.4
305.08170	0.9
307.06006	0.7
307.09650	0.7
319.22672	47.2
320.23032	4.1
322.08176	1.4
323.09131	0.6
337.10660	5.7
337.23715	100.0
337.27216	6.3
338.11267	1.6
338.24094	9.1
338.27759	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.05270	3.4
55.05516	42.9
57.03439	27.5
57.07078	5.7
59.05045	1.6
59.46432	1.7
61.11057	1.7
65.03932	3.9
67.05509	95.2
69.07072	49.7
70.97044	1.9
71.04974	2.8
73.21820	1.7
73.25824	2.1
78.61958	1.8
79.05496	21.8
81.07061	100.0
83.08624	27.8
91.05473	15.8
93.07045	26.6
95.05022	2.5
95.08613	74.5
96.08958	2.2
97.06525	5.3
97.10173	14.3
105.07037	12.2
106.55856	2.2
107.08610	15.9
109.10164	23.1
111.08078	2.9
111.11784	2.2
111.62487	2.1
119.08598	7.4
121.10152	8.5
123.11697	9.0
133.10109	9.4
135.11691	3.2
137.13274	4.7
147.11711	5.3
149.13290	3.7
161.13266	5.4
163.14850	3.6
175.14847	2.6
245.22745	2.2
263.23746	8.5
269.00317	1.9
285.15460	2.3
336.22052	2.1
337.27371	91.4
338.27737	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13913	0.4
53.03947	2.1
55.01872	1.2
55.05510	44.8
56.05849	0.7
57.03436	29.4
57.07075	7.0
61.59495	0.4
62.62162	0.4
65.03933	4.0
67.05502	100.0
68.05830	2.1
69.03441	0.9
69.07066	58.5
69.14716	3.7
70.07396	0.8
71.05006	2.5
71.08627	2.2
73.06537	0.8
79.05489	27.1
81.07053	96.0
82.07388	2.3
83.04988	3.2
83.08616	28.4
84.08967	1.0
85.06554	2.6
85.10177	1.4
91.04886	0.8
91.05479	17.7
93.07042	25.6
95.04982	1.5
95.08601	68.7
96.08943	1.7
97.06540	5.4
97.10165	14.8
99.08100	1.8
101.06029	0.4
105.04519	0.4
105.07028	10.8
107.08591	13.1
108.08894	0.5
109.06509	1.3
109.10152	26.5
110.10491	0.8
111.08071	2.8
111.11694	3.0
113.09637	0.8
119.08571	9.6
121.10143	9.8
123.08102	2.3
123.11705	11.3
124.12058	0.5
125.09611	2.2
127.11197	0.7
129.09178	0.6
131.08536	0.7
133.10124	9.6
134.10477	0.5
135.11690	6.7
137.09631	1.5
137.13242	4.8
137.14203	0.6
139.11226	1.0
140.99057	0.4
145.10172	0.5
147.11670	7.1
149.13269	4.0
151.11234	0.9
151.14792	2.0
153.12775	1.1
159.85042	0.4
161.13231	4.7
162.13548	0.5
163.14827	3.1
165.12761	0.5
165.16388	0.6
167.14314	0.7
175.14845	3.9
177.16394	1.1
178.07852	0.6
179.08537	0.6
179.14406	0.5
189.16432	1.7
193.15884	1.2
195.08170	0.6
203.17870	0.7
207.08098	0.7
207.17303	0.5
221.19087	0.6
223.07584	1.0
234.06738	1.5
235.07675	1.2
236.08267	0.7
237.05463	0.7
245.22641	2.8
247.07552	0.6
248.08366	0.9
249.05402	0.8
249.09090	1.1
251.07063	1.6
251.10515	0.6
262.06158	0.5
263.07037	1.6
263.10544	0.7
263.23743	4.8
264.07581	1.0
265.05197	0.6
265.08640	1.2
266.05841	0.5
266.08878	0.5
273.05551	0.5
276.07794	0.8
277.04840	1.4
277.08530	1.6
278.05957	0.5
278.09293	1.4
279.06451	2.2
279.09625	0.7
280.07309	0.6
281.04684	0.4
281.11795	0.5
290.05722	0.5
291.06497	1.5
291.09802	1.0
292.07150	1.0
292.10532	0.6
293.04565	0.5
293.08035	1.2
294.05478	0.6
294.08691	1.3
295.06073	0.9
304.07184	0.9
305.04553	0.5
305.08005	1.1
306.08881	2.1
307.05988	1.7
307.09540	1.4
308.06665	0.4
309.07605	1.1
309.11185	1.8
321.07529	0.5
322.04544	1.0
322.08167	4.5
322.11838	0.7
323.08954	0.7
323.12598	1.0
330.08871	0.5
337.06943	3.5
337.10605	15.1
337.14307	1.9
337.27335	99.1
338.07553	1.3
338.11020	1.8
338.14951	1.0
338.27676	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25941	0.7
53.03938	1.2
55.01871	1.4
55.05514	29.9
56.05855	0.8
57.03440	17.5
57.07076	3.6
64.87012	0.7
65.03936	2.3
67.05505	62.0
68.05847	0.9
69.03430	1.1
69.07071	37.4
69.49248	1.1
69.49654	3.3
71.04992	2.6
71.08627	1.4
79.05492	17.0
81.07057	54.6
82.07374	2.2
83.04970	4.0
83.08620	17.3
85.06533	3.1
91.00085	0.7
91.05479	14.1
92.05789	0.7
93.07044	18.5
95.04965	2.7
95.08607	49.3
96.08946	2.3
97.06526	2.6
97.10172	6.2
97.62891	0.7
98.23436	0.8
98.97590	0.9
101.06011	0.9
105.07034	11.6
107.08595	11.1
108.08905	1.1
109.06519	2.5
109.10157	16.0
111.04474	1.1
111.08089	2.3
111.11712	1.5
113.05988	1.2
113.09588	0.8
115.05470	0.8
117.07024	2.3
119.08575	8.8
121.10154	7.5
123.08051	2.8
123.11711	6.9
123.24484	0.8
125.09607	1.0
128.06235	1.8
129.07001	5.2
131.08557	5.8
133.06404	0.7
133.10130	7.3
135.11668	4.4
137.09642	1.5
137.13243	2.4
141.06973	4.3
141.09073	1.2
142.07799	1.9
143.08563	7.2
145.10100	3.3
147.08076	0.9
147.11691	3.7
149.13245	2.6
152.06195	1.5
153.06987	3.0
154.07779	2.2
154.89703	0.7
155.08545	15.3
156.09215	1.1
157.10117	7.3
159.11719	2.6
161.09660	2.0
161.13272	3.4
163.14799	1.5
165.04312	0.8
165.06987	6.3
166.07756	1.8
167.08543	5.8
168.09354	1.0
169.10133	15.6
170.10541	1.2
171.11737	3.7
175.14818	2.1
176.06171	1.0
177.07018	1.9
178.07784	2.8
179.08583	5.4
180.05751	1.3
180.09305	2.2
181.06485	2.5
181.10143	6.5
182.10867	3.1
183.08029	1.0
183.11678	7.0
185.13370	1.0
187.11134	0.9
189.07021	2.2
189.12698	0.9
190.07703	0.9
191.08543	2.8
192.05727	1.5
192.09396	1.8
193.06378	1.1
193.10136	3.8
194.07310	3.8
194.10889	1.1
195.08073	8.1
195.11687	6.8
196.08784	2.5
196.12329	1.8
197.09605	3.3
197.13246	18.7
197.14941	1.3
198.13887	1.2
199.14868	2.4
205.06505	6.1
205.10123	1.0
206.07295	3.9
206.10837	1.6
207.08040	6.3
207.11687	6.5
208.05367	1.1
208.08664	1.2
208.12450	1.3
209.05940	2.3
209.09529	3.9
209.13249	5.3
210.10333	1.7
210.13969	1.6
211.11232	1.5
211.14801	2.6
212.25652	0.8
218.07283	1.3
219.08035	3.5
219.11685	1.5
220.08800	1.5
220.12440	1.8
221.05965	2.6
221.09673	2.4
221.13264	5.7
222.06732	4.6
222.13904	1.4
223.04028	1.0
223.07516	10.6
223.11154	2.0
223.14787	5.2
224.08287	4.9
225.09070	1.2
225.12733	1.2
225.16437	2.5
233.05954	3.9
233.13252	1.1
234.06750	5.8
235.07536	10.3
235.11172	1.8
235.14738	5.6
236.04654	2.4
236.08173	1.7
237.05484	4.7
237.09117	7.7
237.12785	1.0
237.16383	3.3
238.06059	2.3
238.09787	4.0
238.17154	2.8
239.10620	1.9
239.14394	1.1
245.22687	0.8
247.07536	4.4
248.04689	0.8
248.08260	3.4
249.05470	2.8
249.09109	6.2
249.11583	0.9
249.16422	2.3
250.06190	3.5
250.09906	1.0
251.07031	23.7
251.17900	1.0
252.07695	7.9
253.15892	2.0
255.24294	1.6
261.05579	2.9
262.06238	2.9
263.07034	16.3
263.09998	1.4
263.14352	0.8
263.17932	2.5
263.23749	1.8
264.04236	2.1
264.07748	6.8
264.18420	0.9
265.05008	2.9
265.08560	19.0
266.05786	3.5
266.09308	10.4
267.06296	0.8
267.07251	0.7
267.10077	5.5
275.07001	2.6
276.07684	8.2
277.05130	1.0
277.08566	5.1
277.15836	2.6
277.19159	1.3
278.05692	2.1
278.09186	1.3
279.06543	14.1
279.09796	1.9
280.07254	10.4
281.08047	3.9
281.11386	1.4
290.05640	2.5
291.06464	2.7
291.09824	1.3
291.17770	1.0
291.21173	2.3
292.07126	1.5
293.08096	10.7
294.05453	1.5
294.08813	23.7
295.09631	29.0
295.16946	0.9
296.09888	2.0
304.07297	2.2
305.08005	9.0
306.08719	4.0
307.05991	13.2
307.09589	2.7
308.06537	2.1
309.07568	2.0
309.11237	7.3
319.17090	1.3
319.20566	3.4
321.07535	4.1
322.08282	15.1
323.05505	1.2
323.08963	8.9
337.07135	5.5
337.10684	100.0
337.17657	2.9
337.21576	19.8
337.27344	41.2
338.07602	1.3
338.11176	20.9
338.21875	2.5
338.28006	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2735
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03700	0.9
53.03940	3.7
53.94736	0.8
55.01860	2.0
55.05511	38.7
57.03437	24.1
57.07071	6.9
65.03928	3.1
67.05504	86.4
68.05827	1.6
69.07068	41.2
69.12946	6.4
70.07396	1.0
71.04979	2.3
71.08619	2.4
71.79458	0.8
73.06570	0.8
76.00816	0.8
79.05488	21.1
81.07053	90.7
82.07381	1.2
83.04973	2.9
83.08138	1.6
83.08617	25.0
85.06559	1.7
85.10175	1.2
91.04951	1.6
91.05472	14.4
93.07042	20.4
95.04991	1.4
95.08603	74.6
96.08942	2.1
97.06488	4.8
97.10164	11.9
99.08073	1.4
105.07027	10.4
107.08585	10.3
109.10155	27.8
109.10914	1.5
111.08083	3.2
111.11725	2.3
119.08569	9.8
121.10139	11.7
123.08044	1.2
123.11694	11.1
125.09573	1.3
133.10144	7.3
135.11705	6.3
137.09616	1.5
137.13229	5.2
147.11679	6.8
149.13284	4.2
151.14801	2.2
153.12692	0.8
161.13248	4.5
163.14803	3.8
165.16463	1.0
175.14850	4.2
177.16339	1.1
189.16371	2.1
203.18065	0.8
218.39168	0.9
245.22696	4.9
263.23633	7.9
282.71390	0.8
337.27350	100.0
338.27609	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2735
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03944	2.2
55.01869	1.7
55.05512	34.0
56.63718	0.5
57.03436	22.4
57.07074	6.5
61.42618	0.5
65.03949	2.9
67.05503	76.9
68.05844	0.9
69.03423	0.7
69.07068	36.1
71.04990	1.9
71.08626	3.0
72.38641	0.5
79.05491	20.7
80.05817	0.7
81.07055	83.0
82.07388	2.1
83.04984	2.0
83.08618	23.2
84.08949	0.5
85.06554	1.8
85.10186	0.6
91.05019	0.3
91.05476	11.5
93.07044	17.8
93.96212	0.5
95.04962	1.3
95.08604	68.6
96.08944	1.6
97.06539	4.8
97.10164	12.7
99.08097	1.6
103.03889	0.6
105.07038	8.1
106.07357	0.5
107.08588	11.5
107.09274	0.7
109.10154	30.3
110.10509	0.7
111.08074	2.3
111.11691	2.8
113.09636	1.3
119.08572	8.2
121.10135	11.1
121.11001	0.6
123.08099	1.2
123.11707	12.4
123.12560	1.0
125.09636	1.3
129.05501	1.4
132.02058	0.5
133.10136	6.5
135.11690	6.7
137.09666	0.7
137.13243	5.2
139.11183	1.0
145.10088	0.7
147.11678	5.6
149.13228	5.4
150.13658	0.7
151.11201	1.0
151.13731	0.5
151.14757	2.6
153.12788	0.8
159.11674	0.6
161.13254	4.5
163.14818	4.7
165.12741	0.7
165.16425	1.8
175.14778	3.0
177.16394	0.8
179.14302	0.9
181.15804	0.7
189.16393	2.1
203.17978	0.7
207.17519	0.7
219.08105	0.9
245.22615	6.7
247.07487	0.9
261.22333	0.5
263.23697	11.6
264.07883	0.9
264.24069	1.0
277.08487	0.8
305.08041	0.8
307.09439	0.6
319.26273	0.8
322.08264	1.4
337.10794	7.3
337.27341	100.0
338.11133	0.8
338.27719	9.5
338.34024	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68350	1.5
53.03951	1.6
53.70706	1.3
58.20919	1.4
58.89027	1.3
61.02927	4.1
67.05509	6.0
69.03438	5.4
70.06590	1.8
70.39730	1.6
70.40096	4.9
71.04996	48.6
75.15413	1.5
76.00115	1.4
81.03410	2.8
83.79665	1.4
85.02908	20.4
94.82675	1.4
95.04977	15.8
97.02901	4.8
97.06609	1.4
99.04451	9.9
109.02899	3.4
112.91005	1.6
113.06007	73.5
114.06364	2.4
119.06396	1.5
120.08121	4.3
123.04435	6.7
126.67550	1.4
127.03927	5.3
141.05467	100.0
142.05823	2.8
145.04985	3.7
147.04436	3.5
155.03352	1.9
159.06532	62.7
163.61435	1.4
176.07120	1.9
176.09157	8.4
180.08679	4.1
213.05057	1.4
264.38159	1.7
274.97479	1.6
285.05887	2.0
285.09525	2.1
338.12915	1.7
339.10471	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	1.1
57.03432	1.1
61.02927	1.2
65.03915	2.0
67.05499	3.2
69.03427	2.4
69.07079	5.6
69.15185	1.1
69.98618	3.0
70.06623	1.0
71.04989	26.9
74.33212	1.1
81.07044	1.2
85.02921	9.2
87.17391	1.1
89.28117	1.2
89.93851	1.1
90.04162	1.3
91.05478	2.7
95.04977	11.6
97.02878	1.8
97.06502	1.5
97.96269	1.1
99.04444	13.9
103.81851	1.3
107.04984	1.2
113.06003	50.9
119.04950	4.6
119.84880	1.2
123.04410	5.5
127.03925	2.3
130.12340	1.7
136.07584	4.1
141.05460	87.8
142.05812	1.5
145.04962	1.4
147.04399	10.7
159.06525	100.0
160.07649	1.8
176.07106	3.9
176.09131	1.6
185.21008	1.2
207.11351	2.5
229.13448	1.4
247.14236	1.2
257.12845	2.5
275.13849	2.4
303.13376	4.1
320.13043	3.1
321.14453	9.3
338.09244	2.3
338.14319	2.6
339.11179	1.4
339.15414	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66697	1.0
54.47378	1.0
55.01875	1.1
56.25655	0.9
57.03423	1.6
61.02934	1.5
65.03945	1.0
65.69746	1.0
69.03439	3.1
69.51199	6.1
69.87083	0.9
71.04994	45.1
74.02404	0.9
79.05527	0.9
81.03424	1.2
81.07055	14.9
82.60505	0.9
85.02905	7.2
93.07007	1.5
95.08613	1.9
97.02873	2.0
99.08094	50.2
109.02927	1.2
117.03442	1.1
127.03986	1.7
137.02367	2.3
141.09106	100.0
142.09430	3.1
145.02867	3.4
147.04498	1.3
151.03920	2.3
155.03448	2.0
159.10170	42.7
160.10474	1.4
177.05383	5.0
180.08679	1.9
190.23842	1.1
307.09875	1.3
311.44739	1.0
338.23367	1.0
339.14011	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.6
67.69315	6.4
69.48553	14.1
69.48952	35.7
71.04979	17.1
72.49693	6.1
81.07056	24.8
83.08608	17.6
85.02905	10.2
95.48902	6.6
113.40358	6.0
123.11695	56.5
141.12733	100.0
145.02832	9.3
149.05962	9.9
159.13760	13.1
177.05466	34.4
225.73619	6.0
256.21637	6.5
339.12152	11.0
361.02286	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
55.54428	0.3
68.99801	0.4
69.03426	1.0
69.10896	0.7
69.11298	2.0
71.94043	0.4
77.97771	0.4
79.05492	1.3
85.02905	0.9
89.03915	5.9
91.05473	1.6
93.07013	0.4
94.06569	0.4
95.01325	3.1
95.04967	0.7
95.08600	0.4
97.06490	0.5
97.79555	0.4
98.22404	0.6
103.05450	0.9
105.07014	0.4
107.04947	2.3
110.06012	0.4
110.07185	0.7
115.05425	0.4
117.02603	0.5
117.03384	6.8
117.06951	0.4
119.04961	2.5
121.02845	1.5
121.06541	0.5
122.06041	2.2
123.04470	1.9
124.07615	0.5
129.01855	0.5
131.04926	2.1
131.08583	0.5
135.04413	23.5
136.04739	0.8
136.07579	1.7
137.02335	0.5
137.05936	0.7
139.03865	0.6
141.01859	2.0
145.02831	8.7
145.06522	0.5
147.04404	32.7
148.04727	1.0
149.02321	2.9
149.05972	1.2
150.05469	1.0
151.03891	0.6
152.06993	0.5
153.34985	0.4
154.08632	1.0
157.06473	0.5
159.04404	1.2
161.05939	0.7
163.03900	100.0
164.04260	3.2
164.07083	1.2
165.05501	0.5
167.06978	0.4
168.45642	0.4
173.06020	1.1
175.03905	3.4
177.01836	3.6
177.03911	1.4
177.05281	3.4
181.04964	0.5
185.05888	0.5
187.03853	3.0
189.01848	0.4
189.05420	2.2
191.03409	1.3
193.04941	1.0
195.04405	0.5
201.05467	0.7
203.03384	96.9
204.03735	3.8
205.04997	4.3
210.02196	0.6
213.05504	1.5
215.03354	4.8
217.04955	0.9
219.02888	1.6
221.04443	0.4
229.04980	2.7
231.02873	12.3
231.06372	0.7
232.03333	0.4
233.04410	4.0
238.05246	0.7
243.03044	0.4
245.04306	0.6
247.05994	0.6
247.52657	0.4
257.04303	0.5
261.03961	5.7
267.71796	0.4
279.04971	7.2
291.04868	3.5
303.13208	0.4
309.48978	0.5
321.06052	0.7
321.14243	0.4
339.07092	4.1
339.14261	0.5
340.07965	0.6
340.13626	0.8
358.17999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55913	7.7
56.96571	9.9
69.07073	10.5
79.10916	8.5
83.54425	6.0
83.54992	6.2
84.30512	7.3
85.45689	7.1
86.83154	6.7
91.05492	10.1
92.33688	7.5
98.22619	27.2
98.97585	23.1
109.04031	7.0
109.33331	7.9
114.28970	6.9
115.07579	17.1
117.05573	6.9
119.04942	20.8
122.06010	12.0
122.70576	7.0
123.04433	11.2
136.07643	21.7
137.06058	9.6
143.07056	11.7
147.04417	100.0
152.07033	23.4
154.08539	7.1
161.08096	11.4
164.07114	29.8
207.31276	9.9
219.01683	8.4
237.02721	15.7
303.13745	14.2
339.07397	14.3
339.10403	38.7
357.08362	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
68.16778	0.7
69.99790	0.7
70.79955	0.7
70.80294	1.3
91.05469	1.0
98.97559	0.7
110.07132	0.7
113.05975	0.7
117.06971	0.7
119.04974	0.9
120.25187	0.6
123.04437	5.9
147.04375	4.2
154.82617	0.6
160.07619	1.4
164.07016	0.8
177.05209	0.9
185.04190	2.1
187.03928	1.5
244.38475	0.7
266.52008	0.6
339.10510	100.0
340.10742	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16631	0.7
64.91737	0.7
70.06601	0.9
71.05011	1.4
71.30408	0.9
71.30791	0.9
91.05466	2.2
99.04498	0.8
102.27470	0.8
113.05976	1.7
119.04939	3.0
123.04439	1.8
127.65016	0.7
130.12263	0.9
132.08090	1.2
137.06024	0.8
139.03906	1.4
141.05470	1.6
142.05779	1.3
145.02878	0.8
147.04393	7.1
151.03865	1.2
152.07088	0.9
159.06561	1.9
160.07616	13.5
161.08104	1.0
163.03931	1.1
164.07153	1.1
172.07605	1.9
174.09206	1.4
177.05446	6.3
185.04240	2.2
187.03860	1.5
191.03290	0.9
201.10345	1.1
202.08583	1.9
203.03419	4.1
205.04991	3.1
207.11139	0.9
214.08350	0.7
215.03296	1.1
221.04398	1.0
233.04453	2.0
247.05823	1.3
251.05614	1.6
257.04694	0.8
292.11588	0.7
295.04306	1.9
303.13437	1.1
321.06039	3.1
321.14340	3.9
322.12909	2.0
339.10516	100.0
339.15076	6.1
340.10895	6.4
340.14893	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79641	4.1
60.29509	4.3
63.92552	3.5
69.65117	21.0
81.07051	4.2
85.89279	3.9
91.05486	15.4
110.06044	4.3
119.04965	26.8
122.06000	14.3
124.07588	12.1
136.07602	36.3
143.07001	5.1
147.04407	100.0
150.05499	7.2
152.07062	42.2
164.07089	33.3
164.98766	4.3
170.08122	5.6
178.05057	15.4
182.08116	11.2
247.15726	4.1
272.51938	4.2
303.13452	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05012	2.8
67.05514	1.4
68.04017	1.1
69.72285	5.7
74.79627	1.1
82.09278	1.1
82.31135	1.3
91.05489	15.6
95.04993	1.9
103.12447	1.4
111.04423	1.5
115.07558	3.1
119.04951	26.6
129.05478	2.9
143.07011	8.3
147.04408	100.0
148.04730	3.4
148.62396	1.4
152.63434	1.3
161.08150	1.7
177.05563	1.7
209.49170	1.2
219.02881	2.1
220.36671	1.3
330.55423	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
52.75474	1.6
53.43781	1.7
65.03949	2.7
66.60763	1.7
67.05489	2.8
69.07043	2.1
70.89520	3.2
73.92914	1.5
79.05486	5.6
81.07050	6.3
91.05486	13.4
93.07053	2.9
94.06575	4.5
96.08120	2.3
96.57301	1.7
103.93108	1.9
110.06067	8.9
119.04938	23.1
122.06033	24.3
123.06826	2.3
124.07604	19.4
134.05988	14.3
136.07573	84.4
137.07870	3.9
140.07069	6.3
143.07045	4.2
147.04396	76.9
148.04778	4.0
150.05518	6.3
152.07065	93.3
161.08083	3.8
164.07057	100.0
165.07449	3.7
170.08147	12.5
177.05458	2.7
178.04988	7.0
182.08128	27.7
243.07791	1.9
260.12906	7.2
285.12289	3.2
303.13373	45.9
303.16653	3.4
321.14349	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
55.01881	3.8
65.03933	4.4
69.03435	4.7
79.05489	4.2
80.86887	2.7
81.80508	2.2
85.02893	6.8
85.06529	3.0
90.15569	2.9
91.05479	11.8
93.03430	4.6
93.07032	3.5
94.77500	2.8
95.05032	3.0
95.08627	2.9
97.02930	3.3
107.04969	2.8
108.02169	2.6
111.04427	4.9
119.04922	15.2
125.06008	6.3
131.08571	2.6
132.04471	8.0
137.05991	12.8
145.02834	3.0
145.04977	3.3
146.19962	3.0
147.04414	61.2
149.06056	2.9
151.03955	25.7
151.05023	3.8
153.05540	8.2
159.08072	3.7
167.23747	2.8
175.07574	11.0
177.05548	8.6
178.04990	100.0
186.05540	3.4
186.95177	3.6
187.07541	22.3
188.08086	5.6
191.08621	7.2
215.07062	4.4
219.07997	6.1
222.06989	2.8
235.03842	2.8
247.07693	2.9
248.08159	2.8
252.10657	3.5
279.10147	4.6
280.09760	4.1
307.09625	10.7
311.12781	6.6
322.10696	17.5
339.14481	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
50.01621	0.2
51.02406	0.2
53.03950	0.4
55.01872	0.3
57.03436	0.3
61.02925	0.2
63.02348	0.6
69.03430	12.3
70.03791	0.2
70.33971	0.4
71.01354	0.3
71.04987	0.2
73.02914	0.1
78.04722	0.4
81.03420	5.2
85.02906	1.8
89.03918	8.2
91.05484	0.5
97.02913	1.2
99.04456	0.6
100.11259	0.4
103.05471	0.6
105.03365	0.1
106.04181	0.6
109.02877	2.4
111.04457	0.3
112.96892	0.1
117.03379	26.1
118.03705	0.8
119.04939	0.2
121.06499	0.2
127.03912	4.7
129.04488	0.2
131.04912	0.2
134.03633	1.7
135.04420	1.5
137.05980	1.1
141.06989	0.2
143.08556	0.1
145.02846	56.6
146.03180	1.7
147.04417	0.3
149.05977	8.7
150.06345	0.2
151.03903	0.6
153.05475	0.2
157.06432	0.2
158.06084	0.2
162.03152	0.4
163.03934	0.6
175.07579	0.2
177.05464	100.0
178.05804	3.8
186.05498	0.7
187.07523	0.4
189.05452	0.2
191.07037	0.1
195.06531	1.2
197.06059	0.1
205.04918	0.2
210.14857	0.2
215.07053	0.2
217.08585	0.2
231.06450	0.3
233.08127	0.5
247.07547	0.2
249.09071	0.2
256.97202	0.1
261.07605	0.4
263.07065	0.1
264.07806	0.2
265.08521	0.2
307.09549	0.2
311.12970	0.2
319.90259	0.1
321.09616	5.6
322.09961	0.5
339.11664	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27335	0.1
51.02396	0.1
53.03946	0.7
55.01876	0.4
55.05504	0.2
57.03427	0.3
61.02924	0.3
63.02389	0.4
67.05518	0.1
69.03432	12.3
69.15227	1.1
70.03757	0.2
71.01369	0.2
71.04983	0.2
72.48225	0.1
73.02946	0.2
75.57076	0.1
78.04716	0.4
79.05466	0.2
81.03421	5.6
81.98292	0.1
85.02905	1.8
89.03919	7.7
90.04257	0.2
91.05486	0.7
93.07041	0.2
95.04967	0.2
97.02883	1.2
97.10201	0.2
99.04461	0.6
103.03867	0.1
103.05461	0.5
105.03367	0.2
106.04179	0.5
109.02890	2.4
117.03381	25.2
118.03711	0.9
119.04910	0.2
121.06474	0.2
127.03916	5.2
128.04283	0.1
129.04440	0.2
130.38200	0.1
131.04976	0.1
134.03625	1.7
135.04428	1.2
137.05992	0.6
145.02847	56.6
146.03174	2.2
149.05980	8.3
150.06281	0.3
151.03915	0.6
151.04984	0.1
155.04958	0.2
157.06552	0.1
158.05994	0.1
161.05972	0.1
162.03134	0.3
163.03896	0.6
168.01573	0.1
175.07541	0.2
177.05469	100.0
178.05806	4.9
186.05496	0.6
187.07541	0.2
189.05475	0.2
192.85796	0.1
195.06537	1.5
201.05547	0.1
205.05127	0.2
215.07007	0.4
231.06517	0.3
233.08115	0.4
261.07501	0.3
279.08481	0.2
321.09668	5.5
322.10025	0.5
339.10773	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.01905	0.1
55.05500	0.4
57.03426	0.2
61.02921	0.3
62.04990	0.1
63.02342	0.6
65.39960	0.1
67.05492	0.1
69.03429	13.3
69.07054	0.3
70.03754	0.2
70.86652	0.3
71.01353	0.1
77.03931	0.2
78.04716	0.5
79.05495	0.3
81.03412	1.5
81.07062	0.6
85.02894	0.7
89.03915	6.8
90.04247	0.3
91.05491	0.6
93.07035	0.5
95.04962	0.3
95.08586	0.8
97.02885	1.2
97.06543	0.2
97.10172	0.3
99.04448	0.5
103.05445	0.4
105.07030	0.2
106.04175	0.5
106.04877	0.1
107.08599	0.4
109.02882	1.5
109.10101	0.3
115.05442	0.2
117.03378	23.1
118.03680	0.7
119.04929	0.2
119.08584	0.3
121.06519	0.2
121.10124	0.3
123.11715	0.3
124.05177	0.2
127.03913	5.7
128.04156	0.1
129.06891	0.2
131.04849	0.2
134.03636	1.6
135.04427	1.1
135.11652	0.2
137.06004	1.2
137.09439	0.1
145.02844	55.0
145.34532	0.1
146.03175	2.2
147.04337	0.2
149.05981	7.4
150.06310	0.3
155.04816	0.1
158.06001	0.2
161.05963	0.3
162.03108	0.3
163.03882	0.5
171.04373	0.2
175.03899	0.1
177.05466	100.0
178.05811	4.1
186.05499	0.5
187.07559	0.3
195.06503	0.9
199.07602	0.2
201.05518	0.2
205.04945	0.2
215.07016	0.4
219.08139	0.2
231.06480	0.4
233.08052	0.5
235.07457	0.2
243.06439	0.2
247.07527	0.2
249.09119	0.2
261.07675	0.4
262.89661	0.2
263.07050	0.2
265.08417	0.2
276.30219	0.1
279.10117	0.3
297.11090	0.2
303.23007	0.2
307.09534	0.2
321.06219	0.2
321.09680	2.7
321.23724	0.2
322.09894	0.1
339.11880	0.8
340.12979	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
56.76936	0.8
57.03426	1.2
59.04995	1.1
65.03952	0.9
69.03418	2.2
69.46307	4.2
85.02895	2.6
85.17682	0.7
91.05489	12.8
93.03398	0.8
95.01279	0.7
95.04987	1.1
97.02913	1.2
98.22595	1.5
105.01901	1.2
107.04908	0.9
116.70962	0.7
119.04951	27.9
120.05305	0.8
135.04413	1.4
143.07010	3.8
145.02757	1.3
147.04414	100.0
148.04681	3.7
149.02376	1.3
173.02307	1.0
177.05466	1.3
191.03322	1.6
207.02940	1.8
219.02901	12.2
233.04532	1.8
261.03943	6.4
339.06937	1.1
339.12335	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58728	1.4
65.03944	2.6
65.56284	1.5
69.65892	3.8
69.66297	3.1
79.61291	1.5
81.07056	1.8
83.04981	1.8
83.20787	1.5
85.02933	3.6
86.06078	2.0
89.03927	3.2
91.05479	15.7
95.04988	2.3
107.04990	3.7
119.04937	26.7
122.06037	1.7
123.04435	2.0
124.07559	1.7
135.04436	6.2
136.07588	5.0
140.78979	1.6
147.04408	100.0
148.04776	4.3
152.07083	4.8
160.07568	15.3
163.03903	26.1
164.07100	6.4
175.03870	1.8
177.06606	3.7
177.10202	1.6
182.08060	2.4
203.03386	31.2
205.05165	1.8
231.02814	4.2
259.22882	1.4
278.37976	1.5
279.04886	3.0
295.24097	1.6
303.13501	2.1
321.05908	2.9
339.11176	3.0
340.10022	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43535	0.7
53.03951	1.6
54.23371	0.7
55.05522	1.1
56.18602	0.7
57.03419	0.7
65.03947	1.9
67.05505	10.5
69.03403	1.9
70.17267	0.7
70.17621	2.3
71.04974	1.6
73.05292	1.2
77.03936	0.8
79.05473	3.6
80.05001	1.3
81.03408	1.2
81.07053	3.9
82.06587	6.1
83.04996	1.2
89.03925	0.8
91.05494	4.6
93.05789	1.1
93.07051	1.8
94.06573	9.5
95.01324	2.0
95.04990	2.2
95.08604	2.2
96.04490	1.0
96.08118	1.5
97.06520	4.2
106.06552	0.8
108.04503	4.7
108.08118	4.9
109.05287	4.7
109.06484	1.2
110.05289	1.2
110.06042	19.9
111.04433	2.3
112.03976	3.6
113.06009	1.1
117.03402	0.9
119.04939	5.1
122.06030	75.8
123.04429	0.9
123.06793	2.5
123.08195	0.8
124.06697	1.0
124.07587	11.4
126.05524	1.0
128.07097	1.8
131.04895	1.3
133.27832	0.8
134.06013	1.9
135.04408	4.2
136.07576	100.0
137.07918	2.5
138.05504	7.7
138.09163	4.5
139.03847	1.0
140.07057	2.7
141.05505	0.9
142.05800	1.0
145.02817	1.8
147.04413	19.7
148.07567	1.3
149.02316	0.8
150.05508	54.8
151.06050	1.6
152.07069	34.8
153.07445	1.3
154.08630	21.7
156.06563	13.5
159.09142	1.0
163.03903	14.4
164.07071	50.3
165.07428	1.5
166.08649	17.8
168.06564	25.1
170.08154	1.2
176.07068	0.9
177.05464	2.2
182.08141	6.7
184.09695	1.9
200.10727	0.8
203.03398	12.5
204.04007	0.8
219.02892	1.6
229.04886	0.9
231.02878	1.5
243.11299	1.2
261.03903	0.8
273.30948	0.8
279.05072	0.9
285.12344	2.8
291.05017	1.2
303.13348	11.2
304.13773	1.0
321.14438	25.5
339.15552	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01898	1.3
55.05508	1.6
56.96577	1.7
67.05506	7.9
69.03428	2.0
70.57275	2.8
70.57608	1.5
79.05482	3.4
80.05034	1.5
81.03391	1.2
81.07069	5.8
82.06584	6.6
83.04951	1.3
84.04495	5.2
91.05469	4.1
93.07028	2.7
94.06572	9.4
95.04966	3.7
95.08618	2.1
96.08141	3.0
97.06529	4.3
98.91311	1.2
98.97572	1.7
106.06541	3.4
107.04920	1.3
108.04483	3.1
108.08147	4.6
109.05253	4.4
109.06506	1.6
110.03174	1.3
110.06042	31.0
111.04439	3.1
112.03970	4.0
113.05990	2.2
119.04944	5.0
122.06031	81.9
123.04430	5.0
123.06836	1.8
124.07579	10.6
128.07066	2.2
134.06020	4.0
136.07574	100.0
137.07921	4.1
138.05496	5.9
138.09102	3.1
139.03960	6.7
140.07053	4.7
141.05418	1.2
147.04399	17.9
150.05496	55.1
151.03903	10.0
152.07066	37.2
153.07484	1.2
154.08632	23.0
156.06575	12.9
164.07060	74.5
166.08647	15.2
168.06563	27.6
169.06931	1.4
177.05374	2.8
182.08124	19.3
184.09680	3.3
193.05003	7.5
199.31516	1.3
210.07625	5.3
230.08069	3.1
236.07285	2.1
242.11824	1.3
243.11349	1.6
275.13995	1.4
285.12457	2.4
303.13324	12.4
321.14474	27.4
339.12024	1.8
339.15601	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1954
Annotation	3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one
Peak:m/z	Relative Intensity
51.02366	0.2
53.03939	0.3
55.01855	0.5
55.05513	1.6
55.79562	0.2
57.03437	0.2
67.05505	2.3
69.03423	1.6
69.07052	0.5
69.26634	1.5
71.04977	0.4
79.05499	1.7
81.03391	0.4
81.07053	1.9
83.04981	4.0
85.06512	0.3
91.05482	2.9
93.07036	2.6
94.04182	2.3
95.04971	2.9
95.08036	0.4
95.08604	3.9
97.06503	0.3
98.22658	0.3
99.04391	0.2
102.47076	0.2
103.05440	0.2
105.07033	5.4
106.07282	0.2
107.04954	0.6
107.08598	1.7
108.05740	0.4
109.06541	1.1
109.10179	0.5
111.04446	2.3
111.08078	1.0
115.05490	0.7
117.07024	1.5
119.04933	0.7
119.08575	2.1
121.04433	0.2
121.06528	1.1
121.10138	0.7
123.08060	0.8
125.15097	0.2
128.06198	1.3
129.07014	2.7
131.04903	1.5
131.08580	2.6
132.05669	0.5
133.06493	8.6
133.10136	1.2
135.08041	0.6
135.11694	0.2
135.69075	0.2
137.05975	0.4
139.07509	0.7
141.06979	1.6
142.07773	2.3
143.08574	4.1
144.05669	0.5
144.09372	0.5
145.06482	5.3
145.10141	1.8
146.07211	0.5
147.08099	1.0
147.11684	0.5
153.06990	0.6
154.07803	0.5
155.08559	2.5
156.09367	2.8
157.06497	2.2
157.10124	6.0
158.07268	0.8
158.10757	0.3
159.08046	2.2
159.11688	1.4
160.08807	0.6
161.09583	0.9
161.13208	0.2
165.07037	1.2
166.07759	1.2
167.08557	1.3
168.09329	0.8
169.06549	1.4
169.10133	2.1
170.07204	0.5
170.10820	0.4
171.08043	2.6
171.11691	4.8
172.08742	0.6
173.09599	1.7
173.13251	1.1
175.11249	0.4
179.08580	1.0
180.09277	0.5
181.06480	0.3
181.10126	3.5
182.10811	0.7
183.08069	3.1
183.11676	2.2
184.08829	2.5
184.12456	0.4
185.09618	28.4
185.13190	0.9
186.10222	1.5
187.11128	0.8
189.12787	0.4
192.09314	0.6
193.10150	1.0
194.10858	0.5
195.08054	0.5
195.11647	1.2
196.08798	0.5
196.12311	0.3
197.09634	1.9
197.13226	1.5
197.33235	0.2
198.10393	1.1
199.11180	10.9
199.14896	0.7
200.11964	3.5
201.12750	3.4
202.13408	0.4
203.08502	0.3
204.09380	0.3
205.10226	0.4
206.10789	0.3
207.11748	1.2
209.09668	0.4
209.13254	1.2
210.10521	0.4
211.11224	1.7
211.14783	0.6
212.11713	0.3
213.09193	0.3
213.12767	1.1
217.10062	0.4
219.11697	0.6
221.09563	0.2
221.13286	0.6
222.14005	0.5
223.11240	0.9
223.14754	0.5
225.12747	3.9
225.16113	0.3
226.13290	0.3
227.14267	0.7
229.15837	0.3
231.11633	0.3
233.13066	0.3
235.11151	0.2
237.12686	0.8
239.14272	0.8
240.15063	1.4
241.12305	0.3
241.15825	0.3
245.13322	0.3
246.14194	0.3
249.12982	0.2
249.16237	0.3
251.14310	0.5
253.86003	0.2
257.15289	1.0
260.15701	0.2
263.14346	0.2
265.12424	0.4
265.15701	0.3
275.17944	0.4
279.17508	0.5
282.14069	0.3
293.15900	0.2
293.18790	1.0
297.18518	0.3
303.17285	0.3
309.12698	0.4
309.16241	0.3
311.20032	0.4
321.18488	2.7
322.18839	0.3
324.14905	0.5
334.81534	0.2
339.19550	100.0
340.19885	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1954
Annotation	3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one
Peak:m/z	Relative Intensity
51.15763	0.2
53.03949	0.5
55.01870	0.4
55.05505	1.0
56.65063	0.2
57.16610	0.2
62.06076	0.3
62.33694	0.2
63.99694	0.2
67.05512	1.4
67.77233	0.2
69.03419	1.3
69.07077	0.6
69.24834	1.5
79.05496	1.2
81.03416	0.5
81.07044	1.8
83.04977	3.3
83.08645	0.2
91.05488	1.5
93.07048	1.5
94.04188	2.2
95.04965	2.7
95.08619	2.5
98.23418	0.3
105.07036	3.2
107.04972	0.7
107.08572	1.2
108.05775	0.3
109.06506	1.0
109.10157	0.5
111.04447	2.0
111.08069	0.4
115.05479	0.7
117.07005	0.9
118.18171	0.2
118.90392	0.2
119.04935	0.6
119.08582	1.0
121.06506	1.0
121.10142	0.4
123.08061	0.5
128.06224	0.7
129.07007	2.6
131.04921	1.8
131.08563	1.5
132.05734	0.6
133.06493	5.5
133.10147	0.6
139.07524	0.3
141.06955	0.7
142.07796	1.6
143.08551	2.3
144.05699	0.5
144.09007	0.3
145.06477	6.0
145.10110	1.0
146.07278	0.7
147.08069	0.7
147.11627	0.3
153.07011	0.5
154.07628	0.3
155.08572	1.4
156.09323	1.1
157.06528	1.4
157.10092	2.2
158.07248	1.1
159.08054	2.2
160.08810	0.8
161.09637	0.5
165.07033	0.9
166.07759	1.0
167.08572	0.7
168.09323	0.4
169.06459	1.7
169.10135	0.9
170.07275	0.7
170.10899	0.4
171.08038	2.2
171.11678	2.0
172.08817	0.9
173.09644	0.7
178.07733	0.4
179.08583	0.6
181.10106	2.7
182.07184	0.4
182.10669	0.3
183.08058	3.2
183.11690	0.7
184.08817	2.6
185.09616	26.4
186.10178	1.5
187.11150	0.5
194.10922	0.3
195.11655	0.6
197.09665	1.3
197.13318	0.8
198.10284	0.7
199.11177	6.2
199.14876	0.7
200.11942	3.4
200.13641	0.4
201.12744	2.8
207.11743	0.5
209.09639	0.5
209.13300	0.4
211.07942	0.3
211.11179	1.1
211.14861	0.4
213.12762	0.7
221.13240	0.3
223.11232	0.3
225.12744	3.1
227.14293	0.5
229.15967	0.3
239.14151	0.3
240.15118	1.2
257.15308	0.8
277.08530	0.2
278.05841	0.3
279.06708	0.4
280.07214	0.4
281.08026	0.3
293.18784	0.3
307.05966	0.4
321.18741	0.3
339.08972	1.5
339.19534	100.0
340.09363	0.6
340.19870	8.9
341.59192	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1954
Annotation	3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one
Peak:m/z	Relative Intensity
51.02377	0.2
53.03943	0.2
55.01863	0.6
55.05508	1.5
57.03428	0.2
63.02348	0.1
65.03930	0.3
67.05506	2.2
69.03426	1.5
69.07057	0.6
71.04986	0.2
71.29822	0.2
74.65484	0.1
79.05490	1.7
81.03426	0.7
81.07053	1.8
83.04980	3.8
83.08611	0.2
91.05471	2.2
93.07042	2.7
93.45143	0.1
94.04188	1.9
95.04363	0.2
95.04970	3.2
95.08606	4.0
97.06527	0.3
99.04436	0.2
103.05436	0.3
105.07027	8.4
106.07331	0.2
107.04973	0.7
107.08590	1.8
108.05734	0.3
109.06530	0.9
109.10175	1.3
111.04445	2.2
111.08074	0.9
113.06020	0.2
115.05436	0.8
117.07046	1.4
119.04906	0.9
119.05712	0.2
119.05967	0.1
119.08586	2.2
121.06525	1.4
121.10114	0.6
123.08040	0.9
123.11649	0.2
125.09661	0.2
128.06209	1.2
129.06992	2.1
130.07852	0.2
131.04941	1.7
131.08571	2.0
132.05698	0.5
133.06488	19.2
133.10133	1.2
134.06795	0.7
135.08041	0.7
137.05960	0.4
138.67812	0.1
139.07527	0.4
141.06963	1.1
141.09067	0.2
142.07802	1.4
143.08562	3.0
144.05722	0.5
144.09335	0.2
145.06483	8.6
145.10114	1.3
146.07333	0.7
147.08047	1.7
147.11659	0.4
149.09587	0.2
151.07578	0.1
152.06158	0.2
153.06940	0.7
154.07809	0.3
155.08559	2.1
156.09355	1.3
157.06511	1.4
157.10124	3.0
158.07278	1.3
158.10742	0.2
159.08070	2.6
159.11699	0.8
160.08852	0.7
161.09605	1.1
161.13232	0.7
165.06993	1.3
166.07790	1.2
167.08611	0.9
168.05750	0.1
168.09340	0.5
169.06482	1.0
169.10143	1.2
170.07266	0.7
171.08061	4.2
171.11670	2.5
172.08833	1.9
173.09593	1.2
173.13223	0.3
174.10281	0.3
175.11157	0.3
179.08560	0.7
180.09352	0.3
181.06485	0.4
181.10127	2.6
182.07321	0.4
182.10735	0.3
183.08051	3.9
183.11649	1.4
184.08832	2.8
184.12273	0.2
185.09613	25.0
185.13170	0.6
186.10081	1.7
187.11130	0.5
189.12764	1.2
193.06479	0.2
193.10159	0.7
194.10925	0.3
195.08037	0.4
195.11700	1.0
196.08852	0.3
196.12421	0.3
197.09595	3.9
197.11488	0.2
197.13239	1.0
198.10410	2.1
199.11183	8.8
200.11919	3.0
201.12729	2.9
205.10068	0.3
206.10939	0.2
207.11783	0.7
208.09039	0.1
209.05939	0.3
209.09630	0.5
209.13239	0.6
210.10442	0.3
211.07558	0.5
211.11183	1.4
211.14806	0.5
212.11957	0.4
213.12741	0.9
214.13312	0.2
219.11665	0.3
221.05823	0.2
221.09651	0.1
221.13254	0.5
222.13977	0.3
223.11111	0.6
223.14796	0.3
225.05437	0.2
225.12732	5.7
225.16243	0.3
226.06229	0.3
226.13237	0.4
227.14294	0.7
229.15808	0.1
233.13203	0.2
235.14709	0.3
236.15396	0.1
237.05528	0.7
237.12691	0.5
237.16515	0.2
238.06261	0.2
239.06908	0.8
239.10703	0.2
239.14317	0.9
240.15091	3.8
241.15630	0.4
243.13792	0.2
249.12775	0.2
249.16267	0.2
251.06964	0.3
251.14281	0.2
251.18031	0.2
252.04175	0.2
253.15883	0.2
254.05746	0.4
255.06445	0.2
257.15323	0.9
264.04129	0.2
265.05121	0.2
265.12277	0.2
265.15894	0.3
265.19321	0.2
267.06488	1.0
269.08142	0.3
271.16898	0.2
278.05734	0.2
279.06656	0.6
279.13873	0.2
279.17462	0.1
281.04443	0.3
281.08179	0.2
282.05194	0.2
293.04718	0.2
293.19040	0.7
295.06180	0.7
295.17017	0.2
296.06723	0.3
297.07425	0.9
303.17297	0.2
307.06009	0.3
308.06766	0.2
311.19974	0.2
313.06989	0.4
321.18524	1.3
324.06128	0.2
325.07019	2.9
339.08859	1.7
339.19528	100.0
340.09387	4.2
340.19876	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01870	0.9
55.05498	1.7
57.07054	0.5
59.04994	0.4
63.37828	0.4
65.03944	0.4
67.05509	2.5
69.03414	1.1
69.07059	0.9
71.04991	0.5
71.30444	0.3
71.30821	0.4
75.04490	0.4
79.05492	2.7
81.07056	2.5
83.04980	4.9
91.05478	2.5
93.07055	3.2
94.04189	0.6
95.04957	1.5
95.08043	0.5
95.08603	5.7
97.06534	0.5
103.05434	0.6
105.07030	18.1
106.07357	0.5
107.04955	0.4
107.08618	1.8
109.06474	0.5
109.10149	1.0
111.04446	2.3
111.08067	1.5
113.06010	0.4
115.05449	1.5
117.07028	1.5
119.08563	2.7
121.06516	1.0
121.10168	0.7
123.08057	1.2
128.06233	2.3
129.07005	4.1
130.07750	0.4
131.04926	2.0
131.08556	3.1
133.06485	57.6
133.10127	1.3
134.06805	1.8
135.08078	0.8
137.05936	0.5
139.07535	0.7
141.06978	2.1
141.09119	0.4
142.07762	4.4
142.72569	0.4
143.08580	6.1
144.05678	0.5
144.09312	0.4
145.06480	19.3
145.10072	2.0
146.07185	1.5
147.07993	0.7
147.11636	0.5
149.02350	0.5
152.06232	0.6
153.06984	1.3
154.07819	0.7
155.08531	4.3
156.09360	3.6
157.06485	1.5
157.10118	8.8
158.07277	2.2
158.10846	0.6
159.08055	5.5
159.11685	2.0
160.08833	2.8
161.09639	2.5
165.06982	2.8
166.07823	3.0
166.09004	0.5
167.08543	1.5
168.09366	1.4
169.06430	1.8
169.10097	3.4
170.07285	1.1
170.10915	0.4
171.08069	3.0
171.11678	7.5
172.08824	5.6
172.12105	0.5
173.09705	2.0
173.13237	1.9
179.08569	1.3
180.09230	0.5
181.06480	0.7
181.10098	6.8
182.07210	1.1
182.10831	1.1
183.08069	6.8
183.11699	5.2
184.08849	3.4
184.12334	0.9
185.09616	11.5
185.13213	2.2
187.11081	0.6
192.09293	0.5
193.04962	0.9
193.06544	0.7
193.10149	0.9
194.07275	0.6
194.26285	0.4
195.04420	0.5
195.08038	1.1
195.11743	1.2
196.08626	0.6
196.12433	1.1
197.05995	0.7
197.09615	10.7
197.13263	2.3
198.10379	6.8
198.14050	0.7
199.11172	15.8
199.14926	1.1
200.11865	2.9
201.12698	3.4
202.13406	0.6
207.11699	1.4
208.05197	0.6
209.05945	1.0
209.09601	1.0
209.13260	0.9
210.03003	0.5
210.06694	0.7
211.07658	0.9
211.11201	2.9
211.14804	1.2
212.11946	1.4
212.15489	0.6
213.12740	0.7
213.16512	0.4
219.08121	0.6
219.11736	0.5
221.06013	1.0
221.09641	0.5
221.13277	0.8
222.06697	0.6
222.14003	0.8
223.03932	0.6
223.07483	0.6
223.11198	0.5
223.14896	0.5
224.04587	0.5
224.65709	0.5
225.05476	2.2
225.12743	18.2
226.13184	1.4
227.14360	1.1
235.03883	0.7
235.07550	0.5
236.04602	1.3
237.05428	1.5
237.12601	0.4
238.06094	1.6
239.06973	1.0
239.14273	1.6
240.15067	13.5
241.15552	1.4
249.05476	1.1
249.09151	0.7
250.06163	1.1
251.03230	0.5
251.06982	1.5
252.04225	0.7
253.04918	1.3
253.08496	1.1
254.05505	0.5
263.07114	0.9
264.04153	0.9
264.07639	0.6
265.05011	1.8
265.08505	1.5
266.05734	1.7
266.09238	0.6
267.06448	1.5
268.07187	0.5
269.08008	0.5
277.04889	0.9
277.08179	0.4
277.15823	1.0
278.05737	1.8
278.08817	0.4
279.06494	4.1
279.09686	0.8
280.03586	0.4
280.07239	1.0
281.04428	6.1
281.07877	1.6
281.11200	0.6
282.05075	0.9
282.08533	0.4
292.07065	0.8
293.04401	1.4
293.07965	1.2
293.19119	0.7
294.05209	1.8
294.08560	0.9
295.05884	2.2
295.09055	0.7
295.16925	1.5
296.06772	1.3
296.10040	0.4
297.18295	0.6
303.17389	0.7
306.05042	1.9
307.05887	1.3
307.09647	1.7
308.06671	0.6
308.10324	1.4
309.03879	3.0
309.07449	1.6
309.11270	1.2
310.04568	0.8
310.08304	1.4
311.09012	1.0
311.12540	0.5
311.20105	0.9
321.18500	3.0
323.05478	0.8
324.06183	6.1
324.09772	2.2
325.06870	3.7
339.08554	20.2
339.12332	9.8
339.19522	100.0
340.09164	5.8
340.12848	0.9
340.19870	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2529
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
55.01871	2.0
55.05511	56.9
56.05849	2.0
57.07065	2.6
65.03928	2.3
67.05508	16.7
69.03439	5.9
69.07064	25.1
69.81934	5.3
71.04996	2.9
79.05504	12.2
81.03412	1.9
81.07056	36.4
83.04993	3.8
83.08627	4.9
84.03299	1.7
85.02895	2.4
85.06541	5.2
91.05493	12.3
93.07046	17.1
95.04975	7.1
95.08038	1.2
95.08604	36.2
97.06547	5.8
97.10171	100.0
98.10502	2.0
98.22745	2.3
101.06037	3.2
105.07030	16.5
107.04944	2.3
107.08592	15.1
109.06526	4.8
109.10148	21.0
111.08089	5.0
111.11733	2.9
117.06980	4.3
119.08586	12.4
121.06454	2.8
121.10165	15.6
123.08075	3.4
123.11708	12.6
125.06031	2.0
125.09631	20.9
129.07019	4.6
131.08580	4.8
133.10136	7.3
135.04446	2.8
135.11705	11.2
137.05980	7.8
137.09625	7.5
137.13301	2.2
139.11197	6.7
140.48543	1.6
141.09116	1.7
143.08577	2.9
143.10667	40.9
145.02892	3.0
145.10129	4.2
147.08032	1.7
147.11719	7.5
149.02368	6.6
149.06020	5.9
149.13269	7.7
151.03876	7.2
151.07504	2.6
151.11140	3.1
153.12756	2.4
157.10144	3.9
159.11696	6.0
161.06032	2.9
161.13258	5.3
163.11221	2.1
165.12851	2.5
169.08649	1.8
169.10063	3.5
171.10193	5.1
171.11662	2.2
173.13289	4.8
177.05519	5.1
177.12750	3.2
178.07875	2.1
179.08508	2.9
179.10721	2.2
180.09319	2.4
181.10081	2.5
185.06023	1.8
187.14874	4.2
189.09294	1.6
189.11223	8.7
189.12718	2.8
191.08571	2.3
193.10223	2.8
195.11699	2.7
201.16367	2.2
203.08684	2.4
205.06526	2.4
207.11687	2.4
209.09651	2.7
217.08601	2.5
218.07185	2.5
219.08058	4.0
221.13258	1.9
233.09595	1.8
235.07565	4.7
236.08257	2.0
237.09288	1.9
247.07526	3.3
249.09152	3.3
251.10602	2.7
251.14378	2.1
261.09061	1.8
263.07007	2.1
264.07828	5.1
265.08841	2.1
275.23691	3.2
277.08353	2.2
278.09402	2.2
279.10196	6.1
281.08121	3.1
285.22107	2.6
289.08582	2.3
292.07208	2.0
293.08139	2.9
296.10391	2.5
303.23209	11.0
307.09665	9.1
308.10190	1.8
309.24228	2.2
311.12872	4.3
321.10898	2.3
321.24380	16.7
324.09885	2.1
339.12302	29.6
339.15955	4.3
339.19238	9.5
340.12772	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2531
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03941	1.8
54.53143	0.8
55.05513	50.3
57.03436	1.4
57.07079	2.1
65.03941	0.9
66.57535	0.6
66.97141	0.9
67.05504	7.5
69.03423	3.7
69.07071	20.2
70.31290	2.8
71.05004	1.3
71.08672	0.8
78.29017	0.8
79.05485	4.6
80.48061	0.7
81.03422	1.9
81.07059	23.4
83.04990	2.2
83.08614	3.6
85.06540	3.2
87.08096	0.9
91.05480	3.4
93.07041	9.8
95.04987	3.8
95.08607	31.7
96.08928	0.9
97.06528	3.7
97.10172	100.0
98.10490	2.0
99.08108	2.3
100.11214	0.9
101.06017	2.4
103.05483	1.0
105.07024	9.1
107.04983	1.3
107.08606	10.2
109.06528	1.8
109.10148	10.7
111.04413	1.0
111.08132	1.5
111.11711	1.6
111.90511	0.7
113.09645	1.1
115.05518	1.2
115.90675	0.8
119.04934	1.4
119.08569	6.9
121.06480	1.5
121.10148	8.8
122.97203	0.8
123.04458	2.2
123.08067	2.3
123.11691	6.0
125.09644	18.0
126.09901	0.9
131.08591	2.2
133.10133	4.3
135.08119	1.4
135.11703	3.5
137.05975	2.2
137.09602	2.2
137.13235	2.2
139.11171	5.9
142.07773	1.3
143.08499	1.4
143.10675	37.1
144.11028	0.9
145.02895	2.1
145.06493	0.9
145.10136	3.7
147.04404	1.3
147.08150	1.2
147.11687	3.2
149.13229	3.8
151.03885	1.2
151.07562	1.2
151.11191	1.8
151.14844	2.9
157.12263	2.3
159.08121	1.3
159.11691	3.1
161.09645	1.1
161.13293	3.3
163.14810	1.8
165.12794	2.2
167.07108	1.0
167.14282	1.4
171.10185	2.8
171.11668	1.5
173.13322	1.4
175.14970	1.0
176.14394	2.1
177.05505	5.8
177.12726	1.6
179.14339	3.4
183.11783	0.9
187.14813	2.3
189.05551	0.8
189.11201	6.6
189.67245	0.8
195.13812	1.0
196.80658	0.7
201.16435	1.8
203.18037	1.0
221.09677	1.2
229.15900	0.9
242.04686	0.9
247.07655	1.3
261.09171	1.6
263.06747	0.7
275.23846	1.2
277.21521	1.2
278.09329	1.0
285.22287	1.2
291.23169	1.0
293.24680	1.8
297.11099	1.2
303.23236	4.4
309.24182	1.0
321.11078	0.8
321.20538	1.8
321.24213	20.3
322.24582	1.2
324.15048	1.0
339.05038	1.7
339.12381	4.7
339.19556	1.7
339.25409	4.8
340.18979	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2529
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
52.05531	0.7
52.63150	0.7
52.74312	0.6
53.03938	1.4
55.01861	0.9
55.03166	0.7
55.05509	50.3
57.03432	1.5
57.07067	2.6
59.04993	0.7
59.32507	0.6
67.05501	8.0
69.03417	3.0
69.07066	19.3
69.09965	7.1
71.04984	1.6
79.05489	3.6
81.07051	20.7
83.04987	1.2
83.08618	4.5
85.06532	3.0
91.05470	3.3
93.07035	8.6
95.04956	1.5
95.08603	32.1
97.06528	2.2
97.10164	100.0
98.10515	2.3
99.08096	1.5
101.06019	1.8
105.07026	6.1
107.08559	7.8
109.06559	1.2
109.10146	11.7
111.08067	1.0
111.11723	1.3
113.09628	0.6
119.08599	4.3
121.06465	0.8
121.10146	6.2
123.08076	2.6
123.11700	4.9
125.01527	1.2
125.09621	17.3
129.06909	0.7
131.08545	1.6
133.10101	3.4
135.11696	3.7
137.05978	0.7
137.09592	1.9
137.13251	1.5
139.11185	4.0
143.10661	36.1
144.08057	3.7
144.11024	1.2
145.10112	1.7
147.11665	2.8
149.13239	3.6
151.07500	1.1
151.11124	0.9
151.14804	3.8
157.12227	2.5
159.11647	2.1
161.13284	2.7
163.14818	1.2
165.12733	2.3
167.14343	1.6
171.10185	4.1
171.11542	1.0
173.13222	1.2
175.14781	1.1
177.05542	0.9
177.12741	2.3
179.14299	2.8
187.14859	2.3
189.11229	6.9
191.14359	0.9
195.13788	1.3
204.31999	0.8
223.16945	0.7
237.09091	0.8
275.23587	1.5
285.22125	1.5
293.24545	1.9
303.23151	6.8
309.24142	1.0
321.24200	27.3
321.27847	1.7
322.24594	2.2
339.12305	1.2
339.16028	1.2
339.19815	0.9
339.25140	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2532
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03964	1.2
54.69506	0.7
55.01872	1.4
55.05511	42.6
57.03436	1.4
57.07076	1.4
67.05508	5.6
67.05817	1.1
69.03435	2.3
69.06726	1.2
69.07070	15.4
69.84415	1.5
69.84785	2.6
71.04995	1.8
79.05492	4.4
81.03426	2.5
81.07057	14.8
83.04972	1.1
83.08620	3.9
85.06547	2.5
89.03925	1.3
91.05468	3.7
93.07040	7.9
95.04971	2.8
95.08604	20.4
97.06530	1.8
97.10171	100.0
98.10511	3.1
99.04432	0.9
101.06020	1.4
105.07038	7.6
107.08589	8.5
109.02923	1.0
109.06515	1.3
109.10162	8.0
111.08098	1.7
111.11680	1.1
117.03386	2.5
117.06995	1.7
119.08575	7.2
121.06564	1.5
121.10144	4.8
123.08086	1.4
123.11743	3.7
125.09626	18.9
129.06999	1.2
131.08578	1.3
133.06511	0.9
133.10117	4.2
135.04549	0.8
135.11710	4.8
135.12534	0.8
137.05980	1.0
137.13290	1.3
139.11191	2.5
141.09174	0.9
142.07768	0.9
143.10674	40.8
144.11057	1.8
145.02829	6.8
145.06517	1.7
145.10143	2.0
147.04385	0.8
147.08112	1.6
147.11732	2.7
149.05978	1.7
149.13260	2.5
151.07564	0.9
151.11200	1.4
151.14819	1.5
157.10191	0.8
159.08076	1.6
159.11737	3.7
161.13263	3.0
163.14868	0.9
165.12712	1.8
171.10168	5.3
173.06012	0.8
173.13304	1.7
175.14824	1.6
177.05466	11.2
177.12762	1.8
187.14870	1.0
189.11205	8.1
207.07982	0.9
219.08136	1.2
220.08844	0.8
235.07600	1.4
251.14319	0.9
267.21078	1.2
275.23636	1.0
277.08539	0.8
277.21555	1.1
279.10324	1.4
285.21973	1.7
293.15283	2.5
303.23187	7.3
307.09641	1.4
309.24298	2.5
321.10129	1.2
321.14752	1.8
321.24261	9.6
322.24945	0.8
339.12259	2.8
339.16010	2.0
339.25351	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31697	0.6
53.03942	1.2
55.01871	1.1
55.05513	43.8
57.03438	0.9
57.92863	0.7
57.95068	0.6
67.05498	4.6
69.03442	1.6
69.07070	14.4
69.09787	3.7
69.10190	1.5
70.07384	0.7
71.04974	1.0
71.50468	0.6
79.05489	3.1
81.07056	11.2
82.07396	0.7
83.04975	2.3
83.08620	2.4
85.06558	0.7
86.06001	0.6
87.08093	0.9
91.05495	3.7
93.07047	6.9
95.04961	1.6
95.08610	17.5
97.06534	1.3
97.10172	100.0
98.10511	2.3
99.08083	1.0
100.33025	0.6
105.07025	6.3
107.08600	7.3
109.10170	6.1
111.04473	1.2
111.08078	1.0
115.05463	0.6
117.07013	1.0
117.89867	0.7
119.08585	7.0
120.39687	0.7
121.02946	0.7
121.06499	1.1
121.10143	3.3
123.08043	1.3
123.11697	2.8
125.09629	16.5
129.07048	1.3
131.08556	1.9
133.06506	0.8
133.10146	2.4
135.11681	5.2
139.11212	0.7
141.07013	0.8
143.08727	1.5
143.10677	40.5
144.08095	4.3
144.11023	1.5
145.06456	1.1
145.10129	2.3
147.11659	2.9
149.13269	2.9
151.14789	1.0
152.14365	0.8
155.08530	1.3
157.10141	1.6
159.08063	0.8
159.11729	2.0
161.13231	3.5
163.14925	1.0
165.12779	1.3
168.09309	0.9
169.10121	1.7
171.08067	0.9
171.10188	4.7
171.11603	1.3
173.09624	0.8
173.13287	1.3
175.14886	1.4
177.12758	1.1
179.08609	1.0
181.10124	0.9
183.11684	1.7
185.09702	2.9
185.13177	0.6
187.14864	1.2
189.11223	8.3
193.10252	0.9
195.11728	1.3
196.12602	1.0
197.13402	1.5
199.11133	2.1
209.13280	0.7
211.14957	1.2
213.12677	1.0
225.12794	1.8
227.14299	1.8
239.14423	0.7
240.15031	1.1
245.13330	1.1
251.14261	0.9
251.45674	0.6
275.23627	0.7
277.21613	0.8
281.13348	1.1
285.22012	1.2
296.15411	0.7
303.23257	5.0
309.24179	2.1
321.18503	2.1
321.24213	8.0
322.24615	1.3
324.14877	0.9
339.19949	10.3
339.24002	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2894
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03941	1.4
55.01872	2.2
55.05514	45.2
57.03439	22.1
57.06835	1.6
57.07080	20.6
59.04975	1.1
65.03941	1.0
67.05506	33.4
69.07069	59.3
71.04982	2.5
71.08631	9.0
71.32309	1.4
79.05489	11.7
81.07059	34.8
82.07394	1.4
83.04986	1.6
83.08618	31.3
85.06538	2.5
85.10172	5.2
91.05478	4.1
93.07046	18.7
95.08607	30.9
97.06538	6.7
97.10167	22.8
99.08089	1.7
105.07030	4.3
107.08600	12.4
109.10164	17.1
111.08047	3.3
111.11746	6.0
119.08571	4.2
121.10152	17.9
123.11703	3.9
125.09613	2.4
133.10146	2.4
135.11703	12.8
137.13300	1.2
139.11215	2.3
143.08569	1.1
147.11674	2.7
149.13239	5.3
151.14871	2.2
153.12733	1.4
163.14833	2.4
173.13225	1.2
175.11189	1.5
177.16397	1.7
231.17813	0.9
244.21071	1.0
247.24254	3.5
265.25238	4.9
279.10242	1.1
279.24496	1.0
283.16949	10.4
302.63721	1.0
321.28000	2.5
339.12256	1.4
339.28946	100.0
340.29318	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.9831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86532	2.3
56.66811	2.5
57.77462	2.5
64.19292	2.6
68.79974	2.5
71.21130	3.5
93.95435	2.5
94.93011	8.0
104.10789	3.2
114.89332	2.8
119.92536	6.4
119.93360	2.3
121.73070	2.3
136.94006	3.7
140.17024	2.9
173.97220	6.7
188.93500	3.4
194.94571	3.0
212.85219	8.9
217.96220	6.7
218.94760	3.6
218.97150	3.4
219.94110	90.0
221.95697	11.6
249.95134	21.3
261.95120	5.4
263.92639	6.4
279.96210	100.0
279.99329	5.4
280.96545	5.3
310.43878	2.8
339.98331	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1027
Annotation	6-hydroxyindole-3-carboxylic acd 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.87901	0.2
52.88178	0.1
53.03940	0.3
54.81510	0.2
55.01868	0.4
57.03431	0.7
61.02925	1.0
69.03429	2.4
69.07064	0.2
69.43871	0.8
71.04979	0.3
72.75827	0.2
73.02915	0.3
78.59317	0.2
81.03430	1.3
81.44138	0.2
85.02905	5.7
87.04464	0.3
91.03976	0.2
91.05451	0.2
93.30603	0.2
94.06570	0.3
95.04969	0.3
97.02890	2.4
99.04473	0.4
100.11256	0.3
101.45766	0.2
104.04994	1.0
107.04945	0.6
109.02871	0.8
122.06029	0.7
127.03890	1.1
129.06978	0.2
132.03439	0.3
132.04446	6.6
133.04785	0.2
136.27701	0.1
137.05977	2.0
143.10645	0.2
145.04961	0.8
147.04359	0.2
160.03931	0.3
160.07603	0.4
161.95435	0.2
168.93800	0.2
175.07494	0.3
177.05537	0.2
178.04985	100.0
179.05333	3.1
187.07556	0.8
189.09174	0.4
191.08475	0.2
203.08502	0.3
211.07376	0.2
217.08578	0.2
219.07967	0.2
231.08072	0.3
239.06848	0.2
247.07523	0.3
248.08252	0.4
259.07440	0.2
263.10715	0.3
291.09976	0.9
311.12833	0.3
323.12729	0.4
340.10284	0.6
340.25818	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55743	1.9
69.03413	2.7
69.07072	69.3
71.30444	2.7
73.06565	16.0
82.80254	2.0
85.02908	11.2
96.40599	2.4
97.02910	4.3
97.06536	26.5
100.42835	2.2
109.02868	2.1
109.99146	1.9
111.05212	2.3
115.07579	63.6
116.07928	2.5
118.46229	2.1
125.06009	27.3
134.61908	2.0
136.06155	3.7
137.05965	3.3
137.66788	2.0
143.07039	91.0
144.07388	2.7
145.04852	2.2
147.04430	4.3
161.08101	100.0
165.07326	2.8
179.03438	9.1
341.11716	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61766	1.3
55.05516	6.7
57.03445	1.9
59.05000	40.8
59.62553	1.4
60.29578	1.2
67.16701	1.1
69.00294	7.4
69.00723	5.5
73.06548	2.9
83.04980	3.3
85.02908	5.2
97.02895	1.6
98.23466	2.6
100.84460	1.3
101.06009	8.7
110.90270	1.1
115.07563	25.4
129.05470	18.3
137.05978	1.4
143.07033	100.0
144.07407	3.3
145.05034	1.9
161.08083	29.6
161.09344	2.2
180.08662	2.1
205.96347	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30696	0.1
55.01851	0.2
55.05511	0.8
56.63374	0.1
57.07050	0.2
59.05001	0.1
67.05488	0.1
69.07074	0.7
71.32417	0.2
81.07025	0.1
83.08594	0.4
91.05457	0.2
95.69550	0.1
105.07001	0.2
107.04907	0.2
115.05443	0.1
119.08476	0.1
121.10145	0.1
128.06213	0.2
129.07002	0.1
136.06169	0.2
140.63242	0.1
141.06999	0.2
143.08505	0.3
144.97688	0.1
146.07214	0.1
151.05510	0.1
152.06184	0.4
153.06911	0.7
155.08542	0.3
157.06479	0.2
158.07245	0.2
159.08022	0.3
161.06020	0.1
163.05472	0.1
165.07011	1.3
166.07690	0.1
167.08571	0.3
168.05762	0.2
169.06516	0.3
170.07306	0.8
171.08058	0.5
173.09628	0.2
174.10368	0.2
177.07024	0.2
179.08542	0.3
180.05672	0.5
180.09193	0.1
181.06470	1.9
182.07251	1.2
183.08080	1.1
184.05179	2.1
185.05910	0.3
185.09608	0.8
188.08223	0.1
191.08549	0.2
192.09406	0.1
193.06482	0.3
194.07256	0.4
195.08038	1.9
196.05208	0.2
196.08765	0.3
197.05963	1.7
197.09651	0.3
198.06731	2.8
199.03918	0.3
199.07523	1.1
199.11389	0.2
200.08266	0.2
203.10696	0.1
205.06503	0.2
205.10080	0.2
206.07314	0.2
206.10869	0.1
207.04492	0.2
207.07983	0.4
208.05232	0.3
208.08846	0.3
209.05974	0.6
209.09508	0.6
210.06746	0.8
211.07538	1.8
211.11176	0.2
212.04666	2.1
212.08208	0.9
213.05573	0.9
213.09079	3.5
214.06270	1.2
214.09657	0.2
215.06810	0.2
219.08026	0.3
221.05937	0.3
221.09630	0.4
222.06741	0.3
222.10405	0.5
223.07487	1.9
223.11116	0.4
224.08322	0.6
225.05452	1.2
225.09102	1.0
226.06253	1.8
226.09740	0.3
227.07016	48.7
228.07431	3.6
229.08540	0.4
233.09637	0.4
234.06734	0.1
234.10378	0.2
235.07556	0.9
235.11131	0.2
236.04770	0.2
236.08252	0.5
236.11800	0.2
237.05467	1.0
237.09016	0.8
237.12747	0.5
238.06209	0.5
238.09787	0.2
238.13327	0.2
239.07018	1.5
239.10648	1.2
240.07785	1.7
240.11447	0.3
241.04793	0.4
241.08585	8.1
242.05806	0.6
242.09102	0.8
243.06442	0.2
247.07329	0.2
247.11261	0.3
248.08357	0.2
249.05476	0.2
249.09094	0.7
249.12871	0.2
250.06165	0.3
250.09892	0.9
251.07057	1.9
251.10629	1.0
252.07796	0.8
253.04941	0.4
253.08546	1.1
253.12280	0.2
254.05803	0.9
254.09190	0.4
254.12854	0.5
255.06517	1.9
255.10152	2.4
255.12877	0.2
256.07281	1.1
256.10605	0.3
257.08047	0.8
262.09839	0.2
263.07086	0.4
263.10577	0.7
264.07745	0.4
264.11554	0.4
265.05267	0.5
265.08643	0.9
265.12207	1.3
266.05746	0.5
266.09183	0.4
266.12961	0.5
267.06549	0.9
267.10144	1.8
268.07257	0.9
268.10776	0.4
269.08081	9.2
269.15405	0.4
270.08511	1.1
271.06445	0.2
271.09644	1.9
272.10187	0.3
277.04977	0.2
277.08585	0.3
278.09372	0.5
278.12991	0.7
279.06628	0.4
279.10141	1.6
279.13434	0.3
280.07272	0.9
280.10806	0.7
280.13641	0.1
281.08063	1.3
281.11691	1.1
282.05664	0.1
282.08881	0.7
282.12466	1.8
283.06274	0.3
283.09644	1.6
283.12918	0.3
284.07159	0.2
284.10382	4.2
285.07813	0.2
285.11084	1.8
286.11652	0.2
293.04321	0.2
293.08276	0.3
293.11697	1.3
294.05502	0.2
294.08893	0.4
294.12463	1.7
295.06076	0.3
295.09628	1.2
295.13205	0.6
296.07086	0.1
296.10358	0.7
296.14066	0.6
297.07556	0.3
297.11337	0.5
297.14783	3.5
298.08340	0.6
298.11911	0.3
298.15082	0.3
299.05432	0.4
299.08820	0.1
307.09604	0.3
307.13269	0.2
308.06857	0.3
308.10092	0.2
309.07541	0.6
309.11127	0.8
309.14841	1.4
310.04630	0.2
310.08133	0.3
310.11929	1.2
310.15579	0.3
311.05438	0.2
311.09174	0.2
311.12646	1.5
312.09885	0.2
312.13278	0.2
313.10736	0.3
313.14264	0.2
322.12003	0.2
323.08997	0.2
324.13580	0.2
325.14325	48.5
326.07764	0.5
326.14661	3.9
339.15778	0.2
340.16666	100.0
341.10818	2.5
341.13776	1.3
341.17105	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.3
59.04993	4.9
69.07065	3.8
71.11256	6.1
79.05504	5.1
81.07056	7.5
83.08617	55.1
85.02903	7.7
88.16077	2.9
95.25192	3.0
97.02866	4.6
97.10168	17.8
99.08092	6.2
122.03668	5.0
127.04788	3.4
131.04858	3.9
137.05957	21.4
143.10658	100.0
145.55788	3.4
147.11665	3.9
161.11746	15.7
178.05840	3.7
187.07536	6.0
203.08490	5.3
217.08759	4.1
231.08031	4.4
248.08391	4.4
259.07608	3.9
279.10181	3.7
291.10178	9.0
323.12814	6.3
341.15634	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	28.0
69.03423	21.9
69.28239	100.0
73.02917	16.1
85.02908	41.9
86.90900	16.9
91.03950	14.5
97.02882	20.7
101.92871	15.6
107.34489	15.2
107.35727	14.4
119.01902	24.9
131.01872	16.5
140.47459	13.8
169.55356	22.3
185.02997	17.8
197.03030	24.0
204.45740	16.0
338.09775	22.3
339.09628	16.4
341.06827	26.5
341.11896	18.7
342.11658	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.5
55.01872	4.7
57.03438	10.3
65.03951	2.7
65.82465	3.2
69.03437	31.4
70.06581	4.2
71.29208	5.8
73.02925	6.5
73.04762	12.9
81.03436	9.4
83.04971	4.1
85.02918	23.4
91.05357	3.3
91.05797	19.4
97.02888	12.1
98.97622	5.8
99.04493	5.0
103.05474	10.4
107.04978	5.8
109.02914	4.3
110.07169	3.9
111.04465	3.6
116.98634	4.4
119.04953	12.9
122.03647	3.7
123.04421	4.6
127.03901	15.7
129.05508	5.8
131.04945	21.7
133.07614	3.6
135.04355	3.5
135.85396	2.9
137.05975	100.0
139.03912	11.0
145.05002	9.3
145.06458	4.3
147.04399	26.1
149.05989	7.5
151.03905	5.5
151.07506	29.0
160.05258	3.9
160.07629	5.3
161.05986	7.9
161.07959	4.9
163.07524	14.4
167.07008	14.5
175.07588	10.5
177.05516	10.7
179.03400	5.6
179.06992	27.0
191.07051	12.2
209.08147	8.8
215.06989	5.2
237.02676	4.2
275.09174	4.1
323.11441	9.5
341.06299	8.5
341.12326	12.7
342.11893	6.5
359.02814	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1013
Annotation	Vitexdoin D
Peak:m/z	Relative Intensity
52.09069	0.3
55.01854	0.9
55.05492	0.6
57.03412	0.5
57.07081	2.1
67.05476	0.9
69.07043	0.9
69.15275	2.1
71.08655	1.3
81.07032	0.9
83.08609	0.6
85.10164	0.9
88.26154	0.2
93.07019	0.4
95.08580	1.1
96.57903	0.2
97.10186	0.4
98.22639	0.5
107.08593	0.4
109.10149	0.4
115.05449	0.6
119.08588	0.3
121.10119	0.5
123.11736	0.4
127.37450	0.2
128.06203	0.4
133.10089	0.4
134.15443	0.3
139.05435	0.5
140.06226	0.3
141.06973	1.2
143.08530	0.3
144.45848	0.3
151.05504	0.4
152.06152	2.6
153.06963	2.0
154.07779	2.6
155.08556	1.7
157.06488	0.4
157.10109	0.3
164.06219	0.4
165.06996	4.1
166.07780	1.9
167.04970	0.4
167.08559	6.5
168.05667	0.5
168.09102	0.4
169.06491	1.4
169.10132	2.3
176.06142	0.3
177.06987	1.4
178.07761	3.3
179.04924	0.7
179.08553	13.7
180.05716	0.7
180.08878	0.8
181.06483	5.1
181.10092	0.3
182.07272	16.6
183.07999	3.0
184.08821	0.4
185.09593	0.3
189.06950	0.7
192.05664	1.3
193.06430	2.0
194.07237	2.3
195.04364	1.0
195.08054	10.7
196.08856	1.6
197.05972	4.4
197.09619	19.7
198.06602	0.6
198.09892	1.2
199.07463	0.3
205.06512	0.5
206.07240	0.9
207.08044	12.3
208.05182	1.2
208.08481	0.8
209.05962	3.6
209.09502	0.4
210.06750	43.5
211.07478	7.8
212.08315	5.3
213.05452	1.1
213.08968	0.5
220.05244	0.3
221.05966	1.4
222.06773	1.9
223.04178	1.4
223.07524	9.5
223.09634	0.6
224.08310	8.1
225.05664	10.0
225.09085	44.8
226.06139	2.4
226.09422	3.1
227.07019	2.2
227.10588	0.7
235.03912	0.5
235.07463	1.7
237.05463	5.3
237.09155	0.5
238.06213	7.8
239.07019	10.8
240.07797	27.1
241.05002	2.9
241.08424	3.9
242.05722	0.3
249.05414	0.8
250.06239	3.6
251.03310	0.3
251.04008	0.3
251.07018	5.6
252.07796	13.9
253.04958	11.5
253.08577	25.6
254.05551	1.0
254.09221	3.7
255.06526	3.0
255.10141	13.6
256.07388	0.5
256.10446	0.9
258.27393	0.3
265.02045	0.5
265.04929	13.6
265.08539	2.3
266.05695	5.0
267.06528	5.2
268.07291	34.4
269.04401	0.7
269.07892	5.1
270.08582	0.9
277.05023	0.4
278.05673	0.9
279.06454	1.2
280.07336	2.3
281.04419	6.2
281.08035	5.1
282.05533	0.4
282.08807	2.2
283.06033	13.9
283.09628	36.2
284.03214	0.7
284.06430	1.0
284.09973	2.1
293.04773	0.4
293.08044	0.9
295.06018	16.1
296.06760	10.3
296.09631	0.2
297.07242	0.7
298.08148	0.3
299.05490	3.3
309.07599	0.9
310.08340	48.3
311.05731	5.2
311.09085	100.0
312.05966	0.5
312.09445	8.3
312.12976	0.6
313.07089	0.5
313.10620	0.4
314.07193	0.4
326.07843	14.3
327.08337	1.1
341.10178	95.7
341.30594	3.6
342.10498	9.2
342.37103	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1018
Annotation	Vitexdoin D
Peak:m/z	Relative Intensity
52.66694	0.5
57.07041	0.6
67.05488	0.7
69.10787	4.3
95.08551	0.8
97.10145	0.5
109.06424	0.5
119.08552	0.6
123.11689	0.6
136.80316	0.7
152.06151	2.8
153.06944	1.8
154.07758	0.6
155.08540	0.8
157.10159	0.6
165.07001	2.0
166.07841	0.9
167.08496	1.2
168.05705	0.7
169.06445	1.7
180.05685	2.2
181.06480	2.8
182.07178	1.0
183.08035	1.7
193.06444	0.9
194.07196	1.6
195.08005	3.6
196.08800	2.4
197.05969	2.9
197.09547	0.9
198.06589	0.8
199.07440	0.6
207.04428	0.7
208.05208	4.5
209.05983	6.6
210.06763	4.7
211.07518	3.7
212.08351	4.8
220.05270	0.8
221.06003	1.3
222.06693	4.0
223.07515	6.1
224.08334	3.8
225.05424	3.2
225.09073	3.1
226.06123	1.1
226.09897	0.8
227.07019	4.0
227.10672	1.8
236.04652	1.6
237.05444	6.4
237.09169	0.6
238.06230	11.6
239.06995	6.4
240.04100	2.6
240.07729	3.5
241.04887	1.1
243.06306	0.8
249.05490	1.2
250.06224	8.0
251.03334	0.9
251.04041	0.9
251.07011	17.9
252.04077	0.6
252.07770	6.4
253.04985	3.1
253.08641	6.5
254.09102	0.7
255.06499	2.0
255.10202	3.9
263.07382	0.8
265.04916	10.0
265.08279	0.8
266.05725	40.9
267.06479	20.4
268.03732	1.9
268.07214	6.9
269.07993	1.1
271.09799	0.6
277.04929	0.6
278.05917	0.6
279.06543	5.1
280.04095	0.8
280.07297	6.3
281.04712	2.4
281.08057	61.0
282.05429	1.2
282.08459	4.0
283.06003	6.8
283.09628	20.2
284.10086	1.1
291.06570	1.0
293.04480	1.3
293.07861	0.6
294.05255	6.8
294.08554	1.1
295.06021	10.7
296.06659	5.1
297.07538	1.5
308.06775	1.2
309.07553	45.3
310.08322	100.0
311.05450	14.3
311.09012	24.4
312.05884	1.2
312.09433	1.8
313.10724	1.0
325.06848	1.5
326.07846	16.9
327.08228	0.9
340.28928	0.8
341.10181	89.9
342.10544	7.5
342.37274	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1019
Annotation	Vitexdoin D
Peak:m/z	Relative Intensity
55.01870	2.9
60.91709	0.6
65.58170	0.6
67.43608	0.6
69.07055	0.6
71.29311	0.6
73.04752	0.7
81.07047	0.8
85.88190	0.6
90.53372	0.6
91.05476	0.9
93.07019	0.9
96.03104	0.7
105.07022	0.7
109.10146	0.8
131.08533	0.8
145.10165	0.9
152.06230	1.8
153.06975	1.4
155.08546	0.9
155.40367	0.6
159.08104	0.8
165.06963	4.5
166.07765	1.1
167.08614	1.5
169.06403	1.1
169.10159	0.8
177.06998	1.4
178.07797	1.7
179.08542	2.2
180.05739	2.2
181.06493	2.8
182.07268	1.8
183.08098	1.9
185.09630	0.8
191.04846	0.7
192.05786	1.1
193.06491	2.9
194.07256	3.0
195.08046	7.1
196.08783	0.6
197.06026	3.5
197.09628	1.5
201.09181	0.8
205.06502	4.5
206.07243	1.9
207.04565	0.7
207.08131	2.9
208.05228	9.8
209.05904	4.5
209.09683	1.0
210.06670	1.3
211.03897	0.9
211.07523	2.8
212.04901	0.7
212.08315	2.0
220.05170	2.2
221.05978	10.2
221.12933	0.6
222.06801	3.9
223.07545	10.9
224.08273	2.5
225.05502	5.0
225.09108	1.9
226.06163	1.2
227.07007	1.3
227.10599	0.8
233.05933	1.5
234.06792	2.0
235.07561	6.6
236.04684	13.0
236.08337	2.8
237.05463	10.6
237.08995	4.0
238.06148	1.9
239.07066	4.1
240.07773	2.2
241.04599	0.6
247.07582	0.7
248.04779	0.7
249.05435	5.8
250.06189	6.5
251.07025	35.7
252.07620	4.2
253.05043	3.6
253.08572	5.3
254.09387	1.8
255.10030	1.4
261.05582	0.8
262.06320	1.7
263.06918	3.9
264.04291	1.1
264.07809	2.7
265.04935	6.4
265.08475	4.2
266.05673	3.0
266.09042	1.0
267.06540	4.3
267.10049	1.2
268.07306	9.6
277.04965	2.3
278.05695	1.8
279.06525	26.8
280.07291	17.4
281.04660	1.3
281.08026	7.6
282.08691	1.4
283.06216	1.4
283.09698	2.6
291.06519	0.8
292.07263	8.3
293.04819	1.4
293.08063	12.9
294.08380	1.0
295.06021	6.8
295.09659	2.4
296.06808	4.7
308.06693	1.1
309.07541	9.0
310.08331	39.2
311.05685	1.2
311.09070	15.0
312.09354	1.5
323.09189	5.1
326.07907	2.3
341.10193	100.0
342.10593	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
60.91709	0.6
65.58170	0.6
67.43608	0.6
69.07055	0.6
71.29311	0.6
73.04752	0.7
81.07047	0.8
85.88190	0.6
90.53372	0.6
91.05476	0.9
93.07019	0.9
96.03104	0.7
105.07022	0.7
109.10146	0.8
131.08533	0.8
145.10165	0.9
152.06230	1.8
153.06975	1.4
155.08546	0.9
155.40367	0.6
159.08104	0.8
165.06963	4.5
166.07765	1.1
167.08614	1.5
169.06403	1.1
169.10159	0.8
177.06998	1.4
178.07797	1.7
179.08542	2.2
180.05739	2.2
181.06493	2.8
182.07268	1.8
183.08098	1.9
185.09630	0.8
191.04846	0.7
192.05786	1.1
193.06491	2.9
194.07256	3.0
195.08046	7.1
196.08783	0.6
197.06026	3.5
197.09628	1.5
201.09181	0.8
205.06502	4.5
206.07243	1.9
207.04565	0.7
207.08131	2.9
208.05228	9.8
209.05904	4.5
209.09683	1.0
210.06670	1.3
211.03897	0.9
211.07523	2.8
212.04901	0.7
212.08315	2.0
220.05170	2.2
221.05978	10.2
221.12933	0.6
222.06801	3.9
223.07545	10.9
224.08273	2.5
225.05502	5.0
225.09108	1.9
226.06163	1.2
227.07007	1.3
227.10599	0.8
233.05933	1.5
234.06792	2.0
235.07561	6.6
236.04684	13.0
236.08337	2.8
237.05463	10.6
237.08995	4.0
238.06148	1.9
239.07066	4.1
240.07773	2.2
241.04599	0.6
247.07582	0.7
248.04779	0.7
249.05435	5.8
250.06189	6.5
251.07025	35.7
252.07620	4.2
253.05043	3.6
253.08572	5.3
254.09387	1.8
255.10030	1.4
261.05582	0.8
262.06320	1.7
263.06918	3.9
264.04291	1.1
264.07809	2.7
265.04935	6.4
265.08475	4.2
266.05673	3.0
266.09042	1.0
267.06540	4.3
267.10049	1.2
268.07306	9.6
277.04965	2.3
278.05695	1.8
279.06525	26.8
280.07291	17.4
281.04660	1.3
281.08026	7.6
282.08691	1.4
283.06216	1.4
283.09698	2.6
291.06519	0.8
292.07263	8.3
293.04819	1.4
293.08063	12.9
294.08380	1.0
295.06021	6.8
295.09659	2.4
296.06808	4.7
308.06693	1.1
309.07541	9.0
310.08331	39.2
311.05685	1.2
311.09070	15.0
312.09354	1.5
323.09189	5.1
326.07907	2.3
341.10193	100.0
342.10593	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.102
Annotation	Vitexdoin D
Peak:m/z	Relative Intensity
55.01866	0.5
61.94545	0.4
63.65968	0.4
68.99776	0.7
72.73172	0.4
91.05463	0.6
105.07027	0.5
107.08559	0.4
109.10162	0.4
128.06238	0.9
133.10132	0.5
135.11623	0.4
139.05452	0.7
140.06189	0.4
141.06966	1.1
143.74573	0.4
145.06470	0.5
145.10153	0.5
152.06197	4.8
153.06982	1.7
154.07831	0.7
155.08566	0.7
159.11777	0.6
163.05444	2.6
164.06204	0.6
165.06982	7.0
166.07771	1.8
167.04930	0.7
167.08589	2.8
168.05740	1.4
169.00510	0.4
169.06503	1.9
169.10191	0.4
170.07201	0.5
173.13278	0.5
176.06163	0.6
177.06982	2.1
178.07780	1.1
179.04939	0.9
179.08572	1.0
180.05676	6.4
181.06462	4.0
182.07275	1.9
183.08057	3.0
183.11569	0.5
184.05217	0.9
191.04924	1.4
192.05721	1.2
193.06488	3.2
194.07237	3.0
195.04425	1.5
195.08047	9.4
196.05180	1.0
196.08694	0.7
197.05962	3.9
197.09654	1.4
198.06729	3.9
199.07536	1.0
201.12735	0.6
205.06429	3.0
206.07240	0.8
207.04454	1.0
207.08051	1.2
208.05193	10.0
209.05936	5.6
209.13222	0.4
209.56752	0.4
210.06741	2.7
211.03946	0.7
211.07574	3.6
212.04744	1.1
212.08241	1.9
213.05443	1.5
213.09074	1.0
219.04431	1.3
220.05125	1.6
221.05978	4.7
222.06763	6.0
223.04134	0.6
223.07529	15.1
224.04666	1.2
224.08160	2.2
225.05478	5.9
225.09056	5.6
226.06244	4.7
227.06984	4.5
228.07692	1.2
229.04959	0.5
233.05936	2.6
234.06712	0.6
235.03978	0.9
235.07507	3.2
236.04655	9.3
237.05435	9.0
237.09094	0.9
238.06221	6.2
239.03432	0.7
239.07013	5.0
240.04182	2.3
240.07785	2.3
241.04939	9.1
241.08513	5.5
242.09267	0.4
243.10210	0.5
248.04680	0.9
249.05437	3.1
250.06204	4.3
251.07027	42.1
252.04155	1.3
252.07643	6.4
253.04985	4.5
253.08607	13.9
254.05707	5.3
254.08675	0.9
255.06509	10.1
255.10179	0.7
256.07196	2.9
261.05481	1.7
262.06326	0.6
263.06998	2.5
264.04196	1.1
264.07239	0.4
265.04941	3.9
265.08459	1.8
266.05716	6.7
267.06485	4.3
268.03714	4.5
268.07294	6.4
269.04443	4.2
269.08044	7.2
270.08710	1.5
271.09622	0.9
276.04169	0.4
277.04941	1.5
278.05716	1.2
279.06512	26.2
280.03647	2.2
280.07123	5.1
281.04520	1.8
281.08029	11.1
281.18860	0.4
281.48578	0.5
282.05145	1.4
282.08206	0.6
283.06052	17.3
283.09540	2.9
284.06750	16.3
284.09543	0.3
285.07434	0.9
291.06635	1.1
293.04886	0.6
293.08109	1.6
294.05161	1.5
295.05960	3.3
295.09576	1.3
296.03244	0.5
296.06708	3.9
297.04184	0.6
297.07562	11.2
298.08340	17.1
299.05762	0.7
299.09070	16.5
300.09430	0.6
308.06903	2.3
309.07547	27.7
310.08145	3.9
311.05429	3.3
311.09134	9.0
312.06232	1.6
312.09561	0.9
313.07013	0.9
313.10654	2.0
323.09174	1.6
326.04004	0.9
326.07800	11.9
327.08578	12.1
341.10178	100.0
341.21173	2.9
342.10840	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1022
Annotation	Vitexdoin D
Peak:m/z	Relative Intensity
53.03934	0.4
54.18159	0.4
55.01883	0.5
55.05525	0.6
66.04298	0.4
67.05504	1.9
69.03427	0.4
69.63484	1.3
69.63892	0.6
74.94735	0.4
78.76793	0.3
79.05491	1.2
79.63013	0.3
81.07046	1.9
83.04966	1.5
91.05472	2.4
93.07056	3.2
95.04963	0.9
95.08606	4.2
97.06536	0.4
98.22674	0.7
105.07030	3.7
107.08573	3.0
109.06505	0.6
109.10164	1.3
111.04413	0.6
111.08109	0.8
115.05472	0.7
117.07034	1.5
117.55806	0.3
119.08578	4.7
121.06506	1.0
121.10129	1.6
123.08073	1.5
128.06203	0.6
129.06987	1.1
130.07765	0.4
131.08569	4.7
133.10123	2.2
134.14940	0.4
135.08070	2.0
135.11673	1.3
139.07593	0.5
141.07027	0.9
142.07747	1.0
143.08549	2.6
144.09377	0.5
145.06438	0.8
145.10132	3.0
147.08038	2.3
147.11737	0.9
151.07642	0.5
152.06194	5.1
153.06966	1.6
154.07805	1.0
155.08571	1.2
156.05652	0.6
156.09370	1.0
157.10120	3.2
158.10939	1.1
159.08063	1.0
159.11699	3.6
161.09639	1.8
163.05431	2.2
163.11191	0.8
165.07001	5.6
166.07767	1.8
167.04947	0.9
167.08545	2.2
168.05678	1.0
168.09291	0.8
169.06508	1.3
169.10173	0.8
171.08061	0.5
171.11670	1.4
173.09637	1.4
173.13261	9.1
175.11247	0.9
175.14862	1.1
176.06227	0.8
177.06995	1.4
178.07758	1.2
179.08582	0.9
180.05696	5.5
181.06438	2.7
181.10132	0.8
182.07053	1.9
183.08105	2.0
183.11710	2.1
185.09677	0.8
185.13304	1.0
187.11220	1.0
187.14896	0.5
191.04973	1.3
192.05675	0.9
193.06450	3.6
194.07268	3.3
195.04340	0.9
195.08052	7.5
196.05264	0.9
196.08537	0.9
197.05894	2.8
197.09621	1.5
197.13193	1.0
198.06734	0.9
199.07402	0.4
199.11241	1.4
199.14832	1.0
201.12750	4.8
201.16428	0.4
205.06477	2.5
206.07243	1.0
207.04410	0.7
207.08092	0.6
208.05174	8.2
209.05925	2.7
209.09578	0.4
209.13251	0.7
210.06618	2.4
211.07520	2.4
212.04784	0.6
212.08086	1.7
213.12758	0.8
213.16403	0.5
214.17145	0.6
219.04395	1.1
220.05225	1.9
221.05986	4.1
221.13388	0.5
222.06686	5.1
223.04140	0.8
223.07524	13.5
224.04668	0.7
224.08214	1.9
225.05501	4.6
225.09088	5.7
225.16420	0.6
226.06270	2.2
227.06992	2.3
227.14282	2.1
228.07706	1.1
233.06006	2.2
234.06686	0.8
235.03902	0.4
235.07494	3.1
235.11098	0.4
235.48337	0.5
236.04691	8.0
237.05417	5.6
237.09148	1.3
237.12662	0.4
238.06192	6.0
239.06979	3.9
239.14325	0.8
240.03877	0.5
240.07500	2.6
241.04953	1.0
241.08524	1.6
242.09305	0.7
248.04820	0.5
249.05429	2.7
250.06258	3.1
251.07031	36.5
252.04425	0.9
252.07706	6.1
252.11497	1.0
253.04951	4.9
253.08624	13.7
253.11295	0.7
254.05573	1.3
254.09055	1.2
255.06352	3.2
255.10156	1.1
256.07004	0.8
261.05490	1.1
262.06329	0.5
263.07117	2.2
263.10583	0.4
264.04208	1.2
264.07776	0.5
265.04941	4.8
265.08548	1.6
266.05695	9.2
267.06424	5.1
268.03958	0.8
268.07150	7.2
268.10214	0.6
269.04486	0.9
269.07990	2.1
270.08508	1.1
277.04965	1.2
278.05765	1.6
278.12903	0.5
279.06531	25.7
279.09720	1.3
280.07150	5.7
281.04456	1.4
281.08020	8.9
282.05099	1.7
282.08740	1.4
283.05997	5.0
283.09656	3.9
284.06668	1.8
291.06598	1.3
293.04623	0.7
293.08041	1.3
294.05261	3.0
294.12503	0.8
295.05988	4.8
295.09299	0.7
295.13208	0.9
295.20584	0.8
296.06641	4.5
297.04221	0.7
297.07544	6.1
297.18613	0.6
298.08258	2.3
299.09164	2.3
305.18958	0.9
307.05942	0.5
308.06699	1.6
309.07565	32.4
309.14914	1.7
310.04694	0.8
310.08261	11.4
310.11929	0.5
310.15564	0.5
311.05472	7.8
311.09128	8.3
311.12814	0.9
312.06161	2.5
312.09464	0.8
313.07056	0.7
313.10657	1.5
313.21671	1.5
323.05502	0.7
323.09000	0.6
323.20071	2.8
325.07062	8.6
326.07639	19.0
326.11578	0.9
326.14877	0.6
327.08304	1.8
341.10153	100.0
341.21085	14.3
342.10590	8.6
342.21402	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85441	0.6
69.24921	2.4
69.25343	3.1
81.07072	1.0
98.23366	0.9
119.11652	0.8
141.06976	0.9
152.06175	5.4
153.06949	2.4
165.07008	3.9
166.07745	2.1
167.08556	2.7
167.71201	0.8
169.06493	2.3
171.08014	0.7
180.05693	4.0
181.06458	3.6
182.07236	1.4
183.08081	1.7
184.08887	1.1
193.06528	1.4
194.07240	2.4
195.08034	5.6
196.08769	1.5
197.05951	4.3
198.06633	1.0
208.05156	6.2
209.05943	6.6
210.06766	7.5
211.07498	2.9
212.08310	5.6
221.05991	3.2
222.06773	5.6
223.03928	1.5
223.07542	9.6
224.08247	3.3
225.05496	5.3
225.09068	4.4
226.06194	1.8
227.06995	4.8
227.10561	1.6
228.07698	0.9
236.04636	2.4
237.05423	9.7
238.06198	16.8
239.06985	7.7
240.04158	2.8
240.07770	3.1
241.04874	0.8
241.08430	1.1
249.05432	2.4
250.06253	12.7
251.03406	2.2
251.07010	24.7
252.04381	1.5
252.07724	6.3
253.04958	5.6
253.08585	6.7
253.11603	1.0
255.06451	2.0
255.10201	6.0
263.06952	1.4
265.04968	15.6
266.05722	62.7
267.06424	26.0
268.03827	2.1
268.07242	8.9
269.07721	1.4
277.04819	1.1
278.05679	1.4
279.06464	7.8
280.07254	8.1
281.04706	3.2
281.08060	93.7
282.08441	6.8
283.06021	12.0
283.09634	18.2
283.12000	0.6
284.06876	0.9
284.09842	1.9
291.06549	1.1
293.04480	1.8
294.05234	14.3
295.05994	13.6
296.06625	6.2
297.07471	2.1
298.08292	1.0
299.08972	1.2
308.06573	0.9
309.07562	67.4
310.08313	100.0
311.05460	20.4
311.09006	23.4
312.05865	2.3
312.09546	1.4
313.10703	0.9
325.07086	2.4
326.07825	20.4
327.08252	2.1
341.10178	97.9
342.10547	7.7
342.37180	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1019
Annotation	Vitexdoin D
Peak:m/z	Relative Intensity
55.01860	1.6
55.05534	0.5
64.43562	0.6
67.05484	0.5
68.99790	0.9
69.27421	3.8
76.19886	0.6
76.46645	0.5
78.89876	0.5
81.07064	0.9
81.18056	0.5
83.04984	0.6
91.05458	0.8
93.07040	1.1
95.08601	1.2
121.10086	0.9
131.08470	0.7
133.87341	0.6
141.06943	0.9
145.10184	0.6
151.03912	1.1
152.06178	3.7
153.06998	2.1
154.07732	0.9
155.05042	0.6
155.08604	0.9
157.10146	0.9
159.11673	0.5
163.05464	0.6
164.06281	0.7
165.07011	7.0
166.07779	1.7
167.08566	3.0
168.05727	2.0
169.06532	1.5
173.09596	0.8
176.06212	1.0
177.07018	2.6
178.07756	1.6
179.08629	1.5
180.05687	4.4
181.06493	4.3
182.07228	2.2
183.08110	2.8
183.11858	0.9
184.05167	0.9
189.07054	0.7
191.80092	0.6
192.05704	2.5
193.06520	4.7
194.07268	4.1
195.08066	12.1
196.05222	1.2
196.08710	1.3
197.05968	4.2
197.09677	2.6
198.06654	0.9
204.05643	0.8
205.06490	5.5
206.07126	1.0
207.08101	2.5
208.05203	13.3
209.05930	4.5
209.09557	0.8
210.06802	3.8
211.07550	3.6
212.04807	1.3
212.08336	3.1
213.05592	0.8
220.05226	2.4
221.05980	7.9
222.06725	5.0
223.07532	18.6
224.08255	2.0
225.05461	6.3
225.09030	4.5
226.06157	1.4
227.07068	1.1
228.07739	1.0
233.05972	3.0
234.06717	2.5
235.07564	4.7
236.04678	18.2
236.08368	2.1
237.05453	9.9
237.09016	2.7
238.06192	4.9
239.07014	4.8
240.07806	3.7
241.08691	0.7
243.32851	0.7
247.03847	1.0
249.05498	4.6
250.06250	5.8
251.07031	50.1
252.05025	0.9
252.07603	6.8
253.05031	4.6
253.08594	7.4
254.05641	1.5
254.09258	1.3
255.06548	1.1
255.10225	1.5
261.05670	0.9
262.06079	1.0
263.06989	4.2
264.04211	1.3
264.07819	2.3
265.04999	5.6
265.08423	3.5
266.05728	8.4
266.09003	1.2
267.06595	5.0
267.09546	0.9
268.07303	9.5
269.07895	1.9
277.05017	1.7
278.05658	1.6
279.06522	35.7
280.07208	13.1
281.05051	0.9
281.08069	20.8
282.08450	1.8
283.05984	2.1
283.09671	4.4
291.06512	1.1
292.07272	5.6
293.04645	0.9
293.08044	7.1
294.05127	1.8
294.08401	1.1
295.06100	4.7
295.09357	0.9
296.06744	5.0
297.04315	1.1
297.07480	1.0
298.08313	0.7
308.06696	1.2
309.07578	20.5
310.08322	27.6
310.11972	1.3
311.05566	1.7
311.09058	20.5
312.09552	1.3
313.07217	1.1
313.10294	0.9
323.09137	3.0
323.12640	0.6
326.07611	4.3
327.08673	1.3
340.28323	4.6
341.10196	100.0
341.28488	3.2
342.10632	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1018
Annotation	Vitexdoin D
Peak:m/z	Relative Intensity
55.01864	1.5
62.57647	0.5
69.09238	0.6
69.42884	3.8
93.07041	0.9
95.08669	0.6
98.40872	0.7
105.06998	0.7
109.10185	0.6
119.08557	0.8
133.10133	0.7
134.64764	0.5
137.05994	0.7
142.61130	0.6
143.08554	0.6
144.07137	0.7
152.06224	2.5
153.06966	1.5
155.08543	1.1
159.11726	0.6
165.06982	4.7
166.07719	1.2
167.08537	1.5
169.06487	1.2
171.19672	0.6
176.06259	1.0
177.06978	1.9
178.07693	1.0
179.08527	1.5
180.05753	2.9
181.06493	2.8
182.07253	1.3
183.08055	2.3
192.05702	1.4
193.06459	3.3
194.07291	2.7
195.08067	9.0
196.08675	0.6
197.06000	3.0
197.09627	1.6
205.06451	5.1
206.07158	1.2
207.08081	1.8
207.11693	0.5
208.05209	9.9
209.05992	4.4
210.06741	3.2
211.07549	2.9
212.08316	2.3
213.09091	0.6
220.05185	2.0
221.05965	7.2
222.06718	5.1
223.07498	12.6
224.04683	0.7
224.08134	2.3
225.05472	5.4
225.09093	2.2
226.06023	0.7
227.06979	1.1
227.10648	0.8
233.05998	1.7
234.06676	1.6
235.07431	3.8
236.04659	16.1
236.08340	1.9
237.05437	9.8
237.09042	3.8
238.06090	2.9
239.06921	3.7
240.07761	2.0
248.04620	0.9
249.05505	4.6
250.06223	4.8
251.07030	42.9
252.07617	5.1
253.04993	3.9
253.08498	4.5
254.05434	1.0
254.09335	2.5
255.06517	0.6
255.10132	1.6
256.97241	0.6
261.05621	0.6
262.06195	1.1
263.06918	3.2
264.04227	1.3
264.07822	2.1
265.04974	6.8
265.08453	3.7
266.05713	3.8
266.09421	1.3
267.06451	3.7
267.10123	0.9
268.07321	8.5
269.07620	1.1
276.04184	0.6
277.04947	1.8
278.05789	1.8
279.06506	29.9
280.07251	13.0
281.04843	1.0
281.08060	11.4
281.35181	0.7
282.08484	1.4
283.06100	0.9
283.09644	2.8
292.07269	6.7
293.04709	1.1
293.08026	10.4
295.06052	6.6
295.09332	0.9
296.06659	4.5
297.03897	0.9
308.06821	1.1
309.07553	11.8
310.08322	31.2
311.05658	1.1
311.09048	15.6
312.09546	0.9
323.09128	4.0
326.07825	1.7
327.08466	1.4
340.28210	38.5
341.10181	100.0
341.28537	28.8
342.10574	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.102
Annotation	Vitexdoin D
Peak:m/z	Relative Intensity
55.01851	0.6
58.03279	0.1
58.49203	0.1
60.04285	0.1
87.74149	0.1
93.78615	0.1
98.23421	0.3
115.05461	0.5
128.06198	0.4
129.07004	0.7
131.91844	0.2
135.34746	0.1
139.05423	0.2
141.06990	1.7
143.08504	0.4
145.06651	0.1
152.06151	1.2
153.06979	1.7
154.07693	0.4
155.04839	0.2
155.08484	0.3
156.05667	0.3
157.06441	0.2
164.06187	0.2
165.06958	1.9
165.94289	0.2
166.07762	0.9
167.08551	1.0
168.05681	0.2
169.05109	0.3
169.06474	3.7
169.07935	0.2
170.07031	0.3
171.08044	1.8
176.06187	0.3
177.06943	0.7
178.07774	0.4
179.04900	0.3
179.08563	0.4
180.05673	0.5
181.06459	2.7
182.03653	0.4
182.07193	1.0
183.08011	0.7
184.05206	0.5
184.08719	0.2
185.05922	0.3
189.06917	0.2
192.05635	0.3
193.06425	0.8
194.07274	2.4
195.04355	0.2
195.08023	2.0
196.05183	0.5
196.08751	0.8
197.05965	5.8
197.09645	0.2
198.06685	0.7
199.07516	4.1
199.09291	0.3
200.04794	0.2
200.07944	0.3
205.06511	0.5
206.07220	0.5
207.04414	0.4
207.08023	0.5
208.05139	0.9
209.03963	0.2
209.05951	3.8
209.09569	0.5
210.03178	0.3
210.06734	1.6
211.03705	0.2
211.07539	2.7
212.04662	2.2
212.08218	1.8
213.05424	0.9
213.09077	0.9
215.07002	0.5
221.05969	0.8
222.06715	2.1
223.04077	0.2
223.07492	2.4
224.04761	0.8
224.08284	2.1
225.05466	4.1
225.08940	1.0
226.06200	1.7
226.09766	0.2
227.07007	42.4
228.04201	0.8
228.07350	2.4
229.08498	0.2
233.05984	0.3
234.06728	0.4
235.07449	0.4
236.04622	0.5
236.08311	0.2
237.05453	9.8
237.08922	1.2
238.02623	0.4
238.06137	2.5
239.06999	3.7
239.09399	0.2
240.04196	1.6
240.07747	3.5
241.05000	1.0
241.08569	1.6
242.05772	0.4
242.09186	0.4
243.06531	1.3
248.04674	0.2
249.05493	0.9
250.06216	1.1
251.03217	0.2
251.07008	4.2
252.04195	0.6
252.07787	2.9
253.04924	3.9
253.08516	1.2
254.05717	2.0
254.09352	0.5
255.06508	45.4
255.09914	1.4
256.06882	3.6
256.10107	0.2
257.08243	0.2
262.06293	0.2
263.06998	0.6
264.04175	0.3
264.07751	0.5
265.02029	0.2
265.04953	6.0
265.08057	0.4
266.05734	2.3
267.06476	2.0
267.09915	0.4
268.04019	0.8
268.07227	1.4
269.04626	0.4
269.08063	7.0
270.05563	0.2
270.08813	2.0
271.05997	18.2
272.06445	0.9
277.04959	0.3
278.05728	0.4
279.06494	2.1
279.09375	0.3
280.03763	1.3
280.07242	8.0
281.04459	1.0
281.07980	2.2
282.05368	0.4
282.08838	2.0
283.06000	28.9
284.06479	3.0
284.09879	0.3
285.07581	0.5
285.10950	0.3
290.05734	0.2
291.06470	0.7
293.04385	0.9
293.08017	0.8
294.05188	4.0
295.05978	3.8
295.09564	0.7
296.03427	0.4
296.06699	0.8
296.09903	0.2
297.07529	2.1
298.08328	100.0
299.05478	0.9
299.08667	7.4
307.05963	0.6
308.06769	2.5
309.07550	11.8
310.04782	0.3
310.07965	1.5
311.05475	9.3
311.08743	0.5
312.06009	1.1
312.09534	0.3
313.10669	64.2
314.10992	4.7
323.09021	1.3
325.07095	1.1
326.07822	33.5
327.08414	5.5
341.10162	78.7
342.10651	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1018
Annotation	Vitexdoin D
Peak:m/z	Relative Intensity
66.30151	0.2
67.05456	0.3
71.30653	0.3
75.04478	0.3
81.25745	0.3
95.08587	0.3
96.50076	0.3
107.08559	0.2
115.39725	0.2
123.08009	0.2
131.08572	0.4
141.06920	0.4
152.06064	1.1
153.06943	0.9
155.08522	0.3
159.11673	0.3
165.07007	1.0
166.07761	0.6
167.08563	1.5
168.05637	0.2
169.06476	1.0
173.13225	0.4
176.31340	0.2
178.07809	0.3
181.06479	2.2
182.07246	1.3
183.08008	1.4
184.05238	0.3
184.08791	0.5
193.06488	0.9
194.07318	0.7
195.08031	2.1
196.05164	0.3
196.08821	1.7
197.05998	2.1
197.09521	0.6
207.04367	0.3
207.07991	0.3
208.04991	0.3
209.05986	3.5
209.09404	0.3
210.06737	1.7
210.90161	0.3
211.07533	3.1
212.04784	0.5
212.08296	4.1
213.05441	0.5
213.08772	0.4
221.05939	1.0
222.06758	0.6
223.03951	0.5
223.07521	3.9
224.04761	0.3
224.08321	2.7
225.05504	2.3
225.09035	3.4
226.06229	0.6
226.09846	0.8
227.03313	0.3
227.07036	3.0
227.10596	1.7
236.04669	0.5
237.05475	4.6
237.09000	0.3
238.06207	3.9
239.06996	7.0
240.04117	0.6
240.07741	2.8
241.04782	0.5
241.08588	0.4
249.05484	0.9
250.06198	1.4
251.03435	0.6
251.06987	3.6
252.04253	0.7
252.07811	5.1
253.04950	2.8
253.08588	4.9
254.05392	0.5
254.09195	0.5
255.06577	1.3
255.10123	4.2
256.07089	0.3
256.10568	0.4
263.07062	0.6
264.07767	0.4
265.04916	6.1
265.08243	0.4
266.05695	7.3
267.06494	18.0
268.07233	6.6
269.04709	0.3
269.07764	0.6
270.05121	0.5
277.05066	0.4
278.05664	0.7
279.06482	2.0
280.03867	0.5
280.07281	5.7
281.04501	2.1
281.08032	7.1
281.11172	0.5
282.05142	0.4
282.08636	1.1
283.06000	3.8
283.09637	13.5
284.06851	0.5
284.09970	1.2
291.06528	0.9
293.04425	1.4
293.07880	0.6
294.05215	8.2
294.08499	0.3
295.05975	11.6
296.06680	3.9
297.04022	0.4
297.07257	0.8
298.04544	0.4
298.08228	0.5
299.05597	0.4
299.09055	0.9
307.05740	0.2
308.06213	0.6
309.07532	13.0
309.10495	0.6
310.08316	100.0
311.05405	4.3
311.08954	18.6
312.05862	0.7
312.09460	0.7
313.07117	0.4
313.10669	0.7
324.09784	0.6
325.06827	0.3
326.04120	0.3
326.07715	6.6
327.08450	0.6
341.10138	68.8
341.21118	1.8
342.06845	0.2
342.10538	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1231
Annotation	Kalopanaxin A
Peak:m/z	Relative Intensity
53.03942	3.1
55.01878	1.9
55.97350	1.3
57.03444	10.7
61.02923	3.0
61.09698	1.4
69.03433	31.1
70.71251	2.8
71.01356	1.6
71.04989	3.9
73.02920	5.1
73.04750	7.1
79.05486	5.3
81.03419	10.8
83.04974	3.2
85.02425	2.2
85.02911	19.7
87.43229	1.5
91.05433	5.0
91.05827	6.5
92.36705	1.5
93.23759	1.8
94.25582	1.5
95.13404	1.4
97.02898	14.7
99.04443	5.0
103.03956	3.1
103.05491	14.3
107.04959	7.3
109.02895	4.1
110.07127	3.1
111.04408	2.2
115.05508	1.7
117.05479	2.0
119.04938	13.0
121.06496	5.7
122.03588	4.0
123.04438	2.2
127.03918	20.6
129.05475	5.4
131.04929	17.8
135.04427	7.3
135.07922	1.5
137.05981	100.0
138.06320	2.0
139.03914	5.0
140.31314	1.7
143.04958	3.3
145.04971	9.1
145.06448	1.5
147.04430	25.9
149.05992	9.0
151.03906	3.1
151.07544	30.4
156.07727	1.9
157.06401	2.6
159.04401	1.8
160.05203	3.4
161.05960	6.1
163.07539	15.7
164.55885	1.6
165.05515	1.7
167.07024	14.3
175.07565	8.7
176.04735	3.8
177.05458	6.8
177.09085	1.7
179.03503	3.7
179.06999	25.8
185.05994	1.6
187.07579	3.1
189.05492	2.2
191.07004	13.2
193.08580	2.3
197.05986	3.3
203.07076	4.8
205.08578	1.6
207.06436	2.0
209.08101	8.9
212.09911	2.3
215.07014	4.6
217.08539	1.9
229.08560	4.3
245.08073	1.6
266.16501	1.6
305.09964	2.2
323.11545	5.0
341.08707	2.8
341.12134	13.4
342.11905	2.7
342.99716	4.2
359.02734	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01871	2.7
56.80147	0.5
57.03445	2.5
57.68184	0.5
59.04968	0.5
61.02925	1.2
62.90646	0.4
69.03084	0.8
69.03429	13.0
70.83349	1.2
71.01363	0.9
71.04988	4.0
71.57516	0.5
73.02915	1.1
73.04739	1.6
79.05484	1.1
81.03416	15.5
81.07124	0.5
90.43949	0.5
91.05827	2.4
97.02892	2.7
97.76527	0.5
99.04439	3.6
106.06554	3.9
116.04980	0.6
117.05479	0.8
118.06542	0.6
127.08343	0.5
133.07581	6.1
134.06018	0.9
135.09201	1.7
137.05974	0.7
141.05640	0.5
145.07584	1.8
146.06075	0.6
146.08366	2.1
147.09184	2.4
149.07089	0.6
160.34187	0.5
161.07097	47.6
162.07489	1.6
163.08647	4.0
173.07085	8.7
174.07759	0.7
175.08647	4.2
176.05907	0.6
177.05482	0.6
179.03387	1.4
185.07109	0.9
187.08740	1.0
189.06580	18.7
190.07191	0.6
191.08147	23.1
192.08504	0.7
198.07945	0.6
199.08578	0.8
201.10231	1.1
203.08138	3.1
205.09758	0.6
207.07642	43.9
208.07986	2.3
213.10133	1.1
231.07666	1.1
233.09201	1.0
241.09792	1.6
245.09189	0.9
257.09296	0.6
259.10815	1.3
269.09055	0.6
277.11865	3.7
287.10239	2.1
295.12906	6.3
305.11288	13.5
306.11502	0.6
323.12357	100.0
324.12646	6.6
341.08527	0.8
341.12820	3.8
359.02777	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Obovaten
Peak:m/z	Relative Intensity
51.61519	0.5
55.01868	0.8
55.05499	1.6
57.03419	0.5
61.96621	0.4
65.03942	0.6
67.05502	1.3
69.07056	1.7
71.32546	0.6
79.05491	1.4
81.07053	1.4
83.08611	0.5
85.64009	0.3
91.05479	1.2
93.07030	0.8
95.04987	0.7
95.08614	1.3
105.07069	1.4
107.04940	0.5
107.08575	0.6
109.10168	0.5
115.05405	1.0
117.07024	0.5
119.08565	1.5
121.10101	0.8
128.06235	0.4
130.07797	0.5
131.08572	1.5
133.10127	0.8
135.08069	0.4
141.06989	3.3
143.08519	0.9
144.05745	0.9
144.61530	0.4
145.06453	0.8
145.10120	1.0
147.08093	0.8
152.06241	0.8
153.06987	1.2
155.08571	1.3
157.06511	1.2
157.10133	0.7
158.07227	0.6
159.08090	0.7
159.11676	0.7
161.09712	0.4
165.07019	2.3
167.08565	0.6
168.05713	1.9
169.06490	3.7
169.10059	0.4
171.04445	0.9
171.11696	0.6
172.05154	0.9
173.13280	1.3
178.07849	1.0
180.40155	0.4
181.06522	1.2
181.10097	0.6
182.07304	0.7
183.04546	0.6
183.08037	2.4
183.11700	0.9
184.05186	0.5
185.05981	1.4
186.06602	0.6
192.09402	0.7
193.06371	0.7
193.10165	0.9
194.07249	0.4
195.08070	2.2
195.11604	0.6
196.05243	1.6
196.08794	0.6
197.05986	14.5
197.09676	0.7
198.06630	1.2
199.03836	0.6
199.07553	0.6
199.11232	0.6
199.14871	0.5
200.04698	6.1
201.05403	0.7
201.12715	1.1
205.06543	0.8
206.07309	0.6
207.04442	0.6
207.08156	0.8
207.11685	0.6
209.06004	0.8
209.09669	1.0
210.06714	1.1
210.10349	1.0
211.07520	7.4
211.11018	0.7
212.04704	0.6
212.08002	0.8
213.05525	2.8
214.06230	2.2
215.03336	0.6
215.06897	0.5
220.08839	0.7
221.06062	0.7
221.09706	0.9
222.06749	0.6
223.04062	0.7
223.07552	2.5
223.11082	0.5
224.04669	0.8
224.08376	1.4
225.05449	7.1
225.08952	2.4
225.12727	1.8
226.06082	1.4
227.03381	0.8
227.07010	1.6
228.04176	15.3
228.07597	0.7
229.04903	2.3
229.08577	0.7
234.06738	0.5
235.07448	0.8
235.11229	1.8
237.05528	1.3
237.09016	1.9
238.06154	0.7
238.09874	3.4
239.07024	7.4
239.10670	0.9
240.04210	0.6
240.07718	1.3
241.04883	2.7
241.08575	0.7
242.05757	4.0
243.06528	33.0
244.06909	2.6
247.05226	0.6
248.08221	0.8
249.09134	1.5
251.07121	2.6
251.10735	0.8
252.07823	1.8
253.05016	0.9
253.08522	1.0
253.12231	7.3
254.05544	0.5
254.12701	0.5
255.06392	1.0
255.10248	0.6
256.03653	1.1
257.04547	1.2
257.08105	4.5
258.05301	1.3
263.10770	1.0
265.05026	0.4
265.08606	2.1
266.09375	2.4
267.06198	0.7
267.10083	0.9
269.04495	1.2
269.08044	0.9
270.05197	2.9
270.07993	0.5
270.08862	0.4
271.06042	1.9
271.09256	0.7
272.06714	1.9
273.07480	0.8
278.09488	0.6
279.06540	0.9
279.10132	0.6
280.10843	0.6
281.08484	0.7
281.11710	8.1
282.12439	1.5
283.09647	1.7
284.06653	0.6
284.09839	0.5
285.07635	3.2
285.15054	0.4
286.08124	0.6
294.08878	0.9
295.09573	0.7
297.07678	0.8
297.11255	1.1
298.08652	0.8
298.11963	4.3
299.05432	0.9
309.11200	2.7
310.11710	0.7
311.09244	0.8
311.12573	0.8
312.09909	0.7
312.13425	0.8
313.10754	0.4
313.14340	1.3
323.20026	0.8
325.10696	0.6
326.11490	4.5
327.08490	0.5
327.12192	1.7
341.13837	100.0
341.20868	4.0
342.14261	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01875	1.7
65.03925	1.5
65.58799	1.1
67.05498	1.5
70.06596	1.9
70.68748	1.6
70.69084	2.3
71.04990	1.6
71.36652	1.0
73.04770	1.4
73.39124	1.0
75.92587	1.0
79.05509	2.5
81.07056	1.7
85.02907	1.4
91.05489	4.7
93.03419	1.3
94.04189	4.0
95.04984	1.7
96.66480	1.0
103.05472	4.0
103.23923	1.0
105.07044	1.6
107.04962	3.0
107.50688	1.1
109.06525	3.4
111.04456	1.3
115.05447	1.7
119.04978	2.6
120.80757	0.9
121.06469	1.5
122.03660	9.6
128.06244	4.2
129.07022	14.0
131.04929	4.5
131.08571	2.2
133.02847	3.3
137.05977	100.0
138.06284	2.6
143.04944	1.2
143.08545	1.8
144.05669	6.1
145.06445	2.9
146.07278	1.3
147.04463	1.7
149.06001	5.0
151.03900	4.7
151.07553	6.6
152.06303	1.1
153.05487	2.5
156.05740	1.3
157.06482	8.6
158.07253	2.2
159.04404	1.8
160.05223	3.6
161.06024	3.7
161.09569	1.6
163.07463	5.3
165.05486	2.7
165.06902	1.4
171.08078	2.0
172.05196	5.8
174.06776	18.4
175.07520	14.2
176.86990	1.0
177.05457	3.0
177.09006	1.5
178.07817	1.0
179.07098	2.4
187.07539	48.5
188.08186	2.6
189.07269	2.2
189.09085	21.2
189.10677	1.9
190.07814	1.7
191.06998	3.2
191.08565	4.4
194.07321	1.8
196.05269	1.7
197.05888	1.5
199.05856	1.1
199.07521	6.5
202.06183	1.4
202.07843	4.2
203.08574	12.9
204.09033	1.3
205.06505	3.9
205.08440	2.0
208.08864	2.8
210.90735	1.1
211.07509	7.4
217.06601	1.1
217.08601	29.7
218.07298	2.7
219.08070	12.0
220.08723	6.2
221.05969	1.5
221.09569	2.3
222.06795	1.8
224.08110	1.4
225.05487	1.7
225.09108	3.2
225.70996	1.0
227.07127	3.2
230.07413	1.5
231.08044	14.4
232.08665	2.1
233.06012	3.5
233.09636	3.6
234.06639	2.1
235.07564	2.2
236.08337	4.7
237.09082	3.7
239.06992	4.0
240.07674	4.9
241.08601	1.7
247.07477	9.3
248.08327	18.1
249.09033	5.1
250.06253	2.8
250.09738	1.0
251.10655	7.5
253.08647	3.6
255.06564	2.0
256.07288	2.5
259.07626	6.3
260.08298	2.3
261.09146	4.0
262.09732	2.1
263.07303	2.0
263.10654	15.2
264.07837	4.0
264.10904	1.3
265.08585	7.8
266.05933	1.3
266.09155	1.2
269.08249	1.3
270.08929	4.7
271.09650	15.1
276.07791	9.3
277.08810	5.0
278.05841	1.3
278.09009	1.7
279.10150	16.0
280.10886	3.3
281.08142	5.3
281.11307	2.4
282.08771	1.4
283.09628	4.0
291.06924	1.8
291.10153	31.8
292.10684	4.3
293.08044	7.9
295.09695	2.6
295.13031	1.1
296.10474	12.1
297.11264	6.5
305.11905	1.4
308.10443	4.0
309.11270	4.6
311.12781	18.2
312.13162	1.5
316.31827	1.0
323.12756	33.3
324.13104	3.5
341.13934	14.4
342.14417	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Obovaten
Peak:m/z	Relative Intensity
55.01860	0.6
55.05501	1.0
57.03418	0.4
61.24483	0.3
62.36754	0.3
69.03423	0.5
69.07056	0.8
71.47318	0.3
79.05493	0.4
81.07011	0.4
85.94742	0.3
90.98445	0.3
91.05477	1.0
93.07008	0.4
103.52142	0.3
105.07048	0.4
108.91486	0.3
115.05434	0.9
116.06239	0.4
119.08581	0.4
121.10184	0.4
129.07047	0.4
130.09897	0.3
139.05443	0.4
141.06985	3.6
144.05713	1.2
145.06464	0.4
152.06215	0.9
153.06990	1.2
155.04919	0.6
155.08528	0.7
157.06462	1.3
161.05962	0.4
165.06989	2.4
166.07668	0.3
167.08543	0.5
168.05762	1.5
169.06493	4.1
171.04417	0.6
171.08069	0.3
172.05122	0.6
173.05974	0.5
178.07751	0.6
179.08527	0.7
180.09360	0.3
181.06467	1.4
181.10165	0.3
182.07166	0.8
183.08046	2.3
184.05096	0.6
185.05983	1.4
186.06781	1.1
187.07599	0.5
191.08557	0.6
192.09363	0.6
193.06482	0.4
193.10135	1.0
195.08047	2.7
196.05179	1.0
196.08867	0.9
197.05980	12.7
198.06616	1.2
199.03967	0.8
199.07458	0.5
199.32286	0.3
200.04668	5.3
201.05469	1.4
206.07361	0.7
207.08118	0.7
209.05989	0.7
209.09607	0.7
210.06720	0.9
210.10345	1.4
211.03847	0.4
211.07527	8.0
211.10919	0.7
212.04637	0.7
212.08153	1.1
213.05498	3.4
213.09015	0.5
214.06227	2.3
215.03392	0.7
215.06934	0.5
219.02089	0.3
219.08054	0.4
220.08823	1.2
221.05988	0.7
221.09584	1.0
222.10457	0.4
223.03946	0.4
223.07571	2.2
224.04652	0.9
224.08247	1.6
225.05482	7.7
225.08961	1.6
225.12721	1.4
226.06190	1.2
226.09714	0.3
227.03487	0.4
227.07005	1.5
227.10574	0.5
228.04169	13.8
228.07584	0.6
229.04945	2.4
230.05544	0.4
234.06717	0.7
235.07504	1.1
235.11166	1.4
237.05444	1.1
237.09019	1.7
238.06218	0.5
238.09840	2.1
239.07001	7.1
239.10593	0.9
240.07561	1.2
241.04936	2.6
241.08617	0.9
242.05753	3.5
243.06522	31.7
244.06850	1.8
247.07497	0.5
248.08398	0.7
249.09077	1.3
251.07059	3.3
251.10686	0.8
252.07828	1.6
253.04893	0.7
253.08517	1.3
253.12218	7.0
254.12419	0.4
255.06555	1.1
255.10149	1.4
256.03647	0.8
256.07361	0.7
257.04492	1.2
257.08096	3.6
258.05280	1.5
263.10666	1.2
265.08594	2.3
266.09299	1.7
267.06537	1.0
267.10019	1.1
268.07318	0.3
269.04437	1.2
269.08127	1.2
269.11667	0.5
270.05222	2.8
270.08386	0.6
271.05978	1.8
271.09637	1.0
272.06622	1.9
273.07529	1.2
277.08435	0.5
278.09451	0.4
279.06528	1.4
279.10187	1.0
280.07263	0.4
280.10773	0.4
281.08585	0.4
281.11731	8.6
282.12262	1.5
283.05951	0.6
283.09644	2.0
284.06595	0.7
285.07571	3.1
293.08026	0.5
294.08939	0.8
295.09634	0.8
295.13257	0.6
297.07779	0.6
297.11212	1.5
298.11954	2.6
299.05716	0.6
299.09073	0.8
299.12399	0.6
309.11301	3.3
310.11844	0.5
311.09036	1.1
311.12524	0.5
312.09830	0.9
312.13196	0.4
313.14148	1.8
326.11429	4.7
327.12122	1.7
341.13818	100.0
342.10577	0.5
342.14172	8.5
342.37180	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34588	1.0
65.03948	1.0
69.03447	1.6
69.47963	2.0
69.48373	5.7
81.07069	1.3
85.02911	2.4
91.05493	2.9
93.03424	1.2
94.04189	3.3
97.02930	1.1
103.05479	3.2
107.04965	2.7
109.06526	3.3
111.04462	1.5
115.05477	1.1
119.04937	1.1
121.06556	1.8
122.03627	7.9
125.05906	1.2
128.06250	3.1
129.06995	9.3
131.04933	4.7
131.08592	1.6
134.94250	1.0
137.05972	100.0
138.06296	2.7
143.08511	1.9
144.05702	3.6
145.04953	1.8
145.06474	2.0
146.07283	1.2
149.06007	2.4
151.03944	1.3
151.07533	5.4
153.05511	1.5
157.06451	6.2
160.05220	2.8
161.05983	2.0
161.09570	1.1
163.07584	2.1
163.10982	1.3
165.05380	1.7
167.07013	1.4
171.08046	2.2
172.05260	5.2
174.06754	10.0
175.07530	8.1
177.05530	1.8
178.04951	2.1
179.05319	2.4
179.06952	1.9
187.07544	36.3
188.08073	2.0
189.09094	17.7
191.08577	3.6
199.07552	4.4
201.03714	10.2
202.07823	3.6
203.05309	8.6
203.08530	11.3
205.06442	3.6
207.08179	1.6
208.08838	1.8
211.07515	2.0
217.08577	22.9
218.07135	2.4
218.09126	1.4
219.08092	11.2
220.08768	5.3
221.05798	1.6
222.06688	1.5
225.09044	1.9
227.06900	1.3
231.08037	13.6
232.08815	3.6
233.05991	2.0
233.09689	2.5
235.07524	2.8
236.08281	3.1
237.09119	2.5
240.07901	1.6
247.07536	8.6
248.08289	13.5
249.05730	1.2
249.08997	2.9
250.06325	1.5
251.10652	6.9
253.08656	3.8
255.06706	1.3
259.07593	4.7
260.08395	3.1
261.09097	4.1
262.09872	1.5
263.06882	1.7
263.07742	1.9
263.10693	17.4
264.07819	3.2
264.10956	1.1
265.08511	5.7
270.08923	1.9
271.09714	3.6
271.34915	1.1
276.07748	8.3
277.08597	4.7
279.10196	15.5
280.10822	1.6
281.08173	2.5
283.09634	2.9
291.06870	2.3
291.10135	36.6
292.10757	5.0
293.07947	5.7
293.11023	1.1
295.09579	1.4
296.10428	10.5
297.11279	3.6
308.10446	4.5
309.11182	3.1
311.12753	17.3
313.14136	1.3
319.30664	1.0
323.12766	32.8
324.13071	2.3
341.16177	47.5
342.15662	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1385
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
60.33126	0.7
69.03429	0.8
70.88832	1.7
77.90672	0.7
79.05472	2.6
81.07052	2.0
88.18514	0.7
91.05458	2.5
94.04185	3.5
95.04975	1.5
97.06544	0.8
103.05451	2.9
105.06999	1.0
107.04930	3.3
109.06516	2.9
111.04456	1.0
115.05420	1.7
119.04950	1.2
122.03648	7.9
124.07602	1.3
125.05962	1.6
128.06223	4.2
129.06979	7.8
131.04897	3.6
135.04419	0.9
137.05972	100.0
138.06345	2.9
143.04854	0.8
143.08577	2.5
144.05701	4.0
145.06497	1.3
146.07213	1.8
147.04344	1.8
149.05980	2.8
151.03944	1.7
151.07521	4.7
153.05467	1.3
155.06056	0.8
157.06503	6.6
158.07269	1.4
159.04359	1.3
160.05173	2.1
161.05933	1.6
161.09618	1.3
163.07542	1.5
165.05484	2.4
167.07109	0.9
171.08083	1.2
172.05197	9.0
173.05927	1.1
174.06763	13.2
175.07538	7.1
177.05502	1.2
179.07019	2.2
185.06003	0.9
187.07536	37.2
188.08157	2.3
189.09087	20.3
190.07828	1.5
191.07039	1.6
191.08539	4.2
192.09213	0.9
199.07626	5.5
201.07027	1.0
202.07767	4.2
203.08548	13.1
205.06519	1.8
205.08356	0.8
205.10223	0.9
207.08000	1.4
208.08820	1.5
211.07582	1.6
212.58160	0.8
215.08406	0.9
217.08589	21.3
218.08989	1.6
219.08052	11.7
220.08775	4.7
221.06004	1.0
221.09453	1.4
231.08055	14.0
232.08669	5.1
233.05951	3.2
233.09547	2.7
235.07492	3.2
236.08319	2.5
237.09038	3.4
239.07051	0.9
240.07761	2.2
245.09500	0.9
247.07536	9.8
248.08298	19.1
249.05635	1.0
249.08917	3.9
250.06247	1.4
251.10632	7.7
253.08588	3.1
255.06604	1.7
256.07352	1.1
259.07532	5.9
260.08267	3.1
261.09000	3.7
262.09821	1.2
263.07004	2.3
263.10663	15.8
264.07819	3.9
264.10690	1.3
265.08560	6.8
268.07239	0.9
270.08957	1.1
271.09607	4.1
276.07800	8.6
277.08536	5.7
278.09286	1.4
279.10141	14.6
280.07751	1.0
280.10791	3.2
281.08136	4.0
281.11404	0.9
283.09598	2.1
290.09280	1.2
291.06873	1.7
291.10153	34.9
292.10715	4.0
293.08035	6.1
293.11353	1.5
295.09500	1.3
296.10437	10.4
297.11081	2.3
305.11591	1.4
308.10245	4.5
309.11206	1.6
311.12753	18.0
313.14255	0.8
323.12729	34.6
324.13208	2.3
341.13809	26.6
342.14023	2.1
359.11993	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Dehydroxycubebin
Peak:m/z	Relative Intensity
53.03947	0.9
55.01861	2.0
63.09074	0.8
69.95804	2.7
73.88155	0.8
79.05460	3.1
81.07027	2.4
85.02848	0.9
89.03889	1.1
91.05447	6.7
93.07010	1.7
94.04192	4.4
95.04936	1.7
103.05441	4.0
105.07037	4.5
107.04961	4.1
109.06523	7.1
111.04402	1.2
115.05437	2.8
117.03373	1.6
117.07040	1.1
119.04888	2.2
119.06126	0.8
121.06470	4.2
122.03618	5.7
123.04404	1.5
128.06203	2.4
129.06992	6.9
130.04137	1.9
131.04918	5.5
131.05769	1.0
131.08517	1.3
132.05733	0.9
133.02811	1.5
133.06438	3.0
135.04428	1.3
136.17851	0.7
137.05972	100.0
138.06252	2.2
141.06911	1.2
144.05641	4.0
145.06438	2.0
146.03598	3.6
146.07251	1.4
147.04385	4.7
149.06004	7.4
151.03938	5.1
151.07530	4.2
153.05470	2.1
153.06912	1.1
155.04901	1.9
156.05742	0.9
157.06496	4.6
158.07256	1.5
159.04395	1.5
161.05974	26.9
162.06734	7.5
163.07556	6.4
165.05495	1.9
165.06952	10.7
166.07803	9.0
168.05682	1.3
169.06448	1.4
170.49339	0.9
171.07956	1.7
172.05217	3.8
173.05942	1.8
174.06772	11.5
175.07489	6.8
177.05502	1.2
177.06932	4.0
178.07745	6.1
179.07117	1.5
179.08459	6.3
180.09132	1.7
181.06447	2.5
183.07965	1.3
187.07542	33.0
188.07936	1.9
189.05415	1.0
189.06952	4.0
189.09038	11.0
190.07764	11.0
191.06882	1.6
191.08551	30.5
192.09142	2.6
193.06416	2.9
194.05560	1.4
194.07275	23.1
194.09021	1.5
195.07816	3.1
199.07526	3.6
201.06973	1.6
202.07785	6.4
203.08560	11.1
204.05608	1.1
204.09061	1.2
205.06491	12.5
206.07208	4.5
207.08064	9.3
208.08810	8.5
209.09605	5.1
211.07518	6.2
217.06506	1.3
217.08566	16.0
218.07214	9.2
219.08041	47.0
220.08772	12.7
221.06012	8.7
221.09613	3.9
222.04652	1.2
222.06755	20.0
223.07251	2.7
223.10890	1.1
224.08311	1.7
225.08974	2.2
227.06940	2.1
229.07460	1.1
230.07249	1.2
231.08035	11.9
232.08658	3.7
233.06001	5.6
233.09497	2.9
234.06580	3.2
235.07533	11.0
236.06136	1.1
236.08316	17.3
237.09102	20.1
238.06038	0.9
238.09419	1.3
239.07091	4.4
239.10588	1.3
240.07693	2.6
241.08659	1.2
246.06735	2.2
247.07536	28.8
248.08296	17.1
249.05357	3.0
249.09074	5.6
250.06265	5.8
250.09694	1.7
251.06940	2.2
251.10667	23.3
252.07718	2.8
252.10767	1.8
253.08542	4.8
254.09161	3.2
255.06531	1.6
256.07266	1.5
259.07535	4.8
260.08151	3.0
261.09070	7.0
262.09619	2.0
263.06934	4.1
263.10547	11.8
264.07803	13.3
265.08582	54.6
266.09000	5.3
267.06186	1.3
267.09964	2.4
270.08737	2.3
271.09610	6.0
276.07837	5.9
277.08624	6.7
278.09204	2.6
279.10141	73.1
280.07449	1.6
280.10617	10.2
281.07950	6.1
281.11078	1.4
282.08627	3.0
283.09537	2.2
283.12610	1.0
291.10153	27.2
292.10596	3.6
293.07907	4.4
293.11282	1.8
295.06561	1.5
295.09671	21.2
295.12921	1.8
296.10394	11.0
297.11191	62.0
298.11423	3.7
305.11575	1.0
308.10226	2.6
309.11166	8.9
310.08734	1.5
310.11984	21.6
311.12753	66.3
312.13107	4.3
313.14462	1.2
323.12781	20.6
341.10321	1.6
341.13690	30.9
342.13925	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.03931	0.8
55.01849	0.9
65.03937	1.0
74.62494	0.8
79.05475	2.8
81.07035	1.2
84.27020	0.8
85.02892	1.7
91.05474	4.6
93.03416	1.6
94.04167	3.1
95.04970	0.8
103.05447	4.5
105.07068	3.8
107.04964	6.9
107.08556	0.8
107.27585	0.8
108.05754	0.8
109.06519	2.4
115.05450	2.9
117.07008	1.0
119.04936	3.4
119.08582	0.9
121.06492	2.4
122.03660	9.0
123.04440	1.0
128.06213	2.6
129.07002	8.0
131.04922	4.8
131.08612	1.0
132.05658	1.4
133.02837	1.2
133.06451	2.4
137.05972	100.0
138.06331	3.2
138.07324	0.8
143.08513	1.7
144.05693	3.5
144.08093	6.7
145.06500	1.7
146.03610	1.5
146.07195	1.1
147.04401	3.6
149.05975	2.7
151.03888	1.8
151.07539	4.3
153.05510	1.0
153.07079	1.0
156.05673	1.0
157.06467	5.5
158.07214	1.4
159.04399	1.1
159.08131	1.1
160.05232	2.5
161.05977	8.4
162.06812	1.0
162.09172	5.2
163.07550	4.1
165.05463	1.4
165.06874	1.0
171.08067	1.2
172.05173	4.2
173.05949	1.4
174.06770	9.2
175.03911	0.9
175.07544	16.3
177.09119	1.4
179.07048	1.4
185.05940	1.7
187.07547	35.0
188.08162	2.0
189.09093	14.2
189.10664	1.3
190.07777	2.1
191.07016	7.4
191.08575	5.5
193.33374	0.9
194.07201	1.8
199.07547	3.7
202.07738	3.0
203.08556	9.7
205.06470	2.2
205.08600	7.0
205.33606	0.9
207.07991	1.4
208.08752	2.3
209.08038	1.0
211.07552	2.7
213.05473	1.1
217.08589	22.5
218.07178	1.6
219.08075	10.3
220.08788	3.2
221.05994	1.0
221.09422	1.3
222.06691	1.0
225.09113	1.8
227.07071	1.5
231.08054	11.4
232.08720	2.7
233.05833	1.0
233.09555	1.8
234.06746	1.6
235.07524	2.8
236.08310	3.5
237.09111	3.4
239.07027	1.9
240.07773	1.7
247.07541	8.3
248.08334	16.6
249.08994	3.4
250.06059	2.0
251.06955	1.1
251.10674	6.4
253.08554	2.4
258.06635	1.0
259.07587	6.4
260.08231	2.0
261.09042	3.4
263.07184	1.5
263.10648	12.1
264.07803	2.7
264.10892	0.9
265.08597	8.5
267.10242	1.0
270.08789	2.5
271.09576	5.2
276.07788	7.4
277.08615	4.1
278.09344	1.3
279.10120	15.1
279.12909	1.4
280.10779	3.0
281.08087	2.3
281.11581	1.7
283.09720	2.3
291.10141	28.2
292.10739	4.1
293.08041	4.1
293.11313	1.3
295.09598	2.2
296.10483	7.7
297.11185	4.0
306.13574	0.9
307.09576	0.9
308.10367	3.5
309.11172	7.4
311.12756	11.7
323.12759	25.4
324.13113	1.7
341.09750	1.2
341.13745	23.0
342.14197	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Dehydroxycubebin
Peak:m/z	Relative Intensity
52.84679	0.4
55.05511	0.4
65.03928	0.5
67.05478	0.6
68.84568	0.3
69.30506	0.3
71.31954	0.6
79.05468	0.4
81.07032	0.6
91.05461	2.4
93.07008	0.5
95.04941	0.7
95.08613	0.4
105.07003	0.8
107.04957	0.4
109.10162	0.4
111.39015	0.3
115.05438	0.7
116.06264	0.3
117.07023	0.3
119.05006	0.7
119.08591	0.5
128.06181	0.4
129.07004	0.7
131.08566	4.7
135.04437	0.6
137.05960	1.2
141.06949	0.8
144.05684	1.1
145.06456	0.6
145.10110	0.7
147.04399	0.9
149.02335	0.7
149.05975	2.3
151.03917	3.9
151.05014	0.4
158.07242	0.9
159.08057	17.3
161.05951	3.6
161.09636	0.7
162.06711	0.7
169.06468	1.7
173.09659	0.4
174.06703	0.7
175.07518	1.3
176.08307	2.6
177.09119	2.1
181.06505	0.4
181.12184	0.7
186.06697	0.7
187.07573	4.6
188.08301	3.3
189.05464	6.9
190.05777	0.4
191.08867	0.4
191.10661	8.7
192.10973	0.5
201.09164	1.8
204.07814	44.9
205.08127	1.8
219.10161	100.0
220.10530	4.1
221.09578	0.6
223.07492	0.6
233.09598	0.7
237.09050	0.9
241.04927	0.4
241.08606	0.6
251.07082	0.7
251.10713	0.6
252.11563	1.2
253.08502	0.8
255.10272	0.4
263.10751	0.8
265.08664	0.7
266.08990	0.4
267.06573	0.5
267.10178	0.4
278.12924	0.5
279.06689	0.4
279.10181	1.2
280.10889	0.5
281.08081	0.8
281.11761	0.5
294.12549	0.9
295.09933	0.4
295.13220	1.8
298.08273	0.4
299.09015	0.4
308.10376	0.6
309.07617	0.5
309.11185	1.2
309.14890	1.3
310.15607	0.8
311.09219	0.7
311.12692	0.9
323.12985	0.5
326.11237	0.4
327.08331	0.6
340.28253	0.6
341.10013	1.4
341.13788	10.3
341.17499	3.6
341.21078	0.6
341.28424	0.5
342.10870	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
53.11807	1.4
55.05513	4.6
55.33613	1.6
65.03947	7.8
67.05501	3.2
69.03439	1.9
77.03961	2.0
78.04723	4.5
79.05500	6.9
81.07061	3.6
83.08621	2.7
84.44660	1.9
91.05435	10.7
93.03407	6.8
93.07043	4.0
95.04979	7.0
95.08612	2.3
100.11256	6.6
103.05487	9.1
104.06297	2.5
105.03394	4.2
105.07053	12.7
106.04182	2.9
107.04955	15.8
107.08604	2.2
108.02112	2.8
109.06519	3.4
111.04459	10.3
114.09174	2.4
115.05478	4.5
116.23614	1.8
117.07043	2.1
117.49187	2.1
119.04939	4.3
119.08641	2.3
121.06484	8.1
122.03648	3.7
123.04449	6.8
125.05989	8.1
128.06244	5.0
129.07031	11.4
131.04929	14.7
131.08563	3.8
133.06474	13.5
133.10204	1.9
134.03641	20.2
135.04417	65.0
135.07985	2.2
137.05984	46.2
141.06975	2.1
143.08519	2.3
145.06503	6.1
146.07275	3.2
147.04395	4.3
147.08052	3.7
148.05191	2.7
149.05981	20.5
149.09679	2.0
151.03925	65.1
151.05042	6.2
151.07523	4.6
153.05460	20.6
157.06494	6.7
159.08047	3.6
160.05243	2.2
161.05994	18.5
161.09634	9.9
162.06841	2.1
163.07553	14.5
164.08315	8.7
165.07002	2.1
167.07048	6.8
169.06459	2.6
171.08066	1.9
173.05984	3.2
174.06801	5.3
175.07550	67.7
176.07977	3.1
177.05536	2.8
177.09111	9.0
178.07835	3.4
179.07047	2.4
181.06461	2.3
182.15396	2.6
183.11613	1.9
187.07561	16.0
189.09116	51.4
190.09462	2.6
197.05949	3.4
199.07513	3.8
203.06979	2.1
203.08669	2.5
207.08089	1.6
210.14867	3.6
211.07645	2.3
217.08597	100.0
218.08960	4.6
219.08208	2.4
220.08978	2.2
221.09637	2.4
225.09196	1.9
229.08514	1.9
231.08002	2.8
235.07660	3.6
238.09947	1.7
247.07637	2.3
248.08392	3.0
249.09111	5.7
250.06293	1.9
251.10698	2.5
253.08568	3.1
253.12260	2.2
257.08261	1.9
259.07669	2.5
263.10779	2.5
265.08749	3.7
266.09277	3.9
277.08603	3.2
279.10156	3.2
281.08337	1.9
281.11761	6.7
291.10114	7.3
293.08188	3.2
293.11829	2.0
297.11154	3.0
299.12790	3.8
308.10406	5.2
309.11267	13.5
311.12790	5.3
312.09857	2.1
313.14331	7.1
323.12781	16.6
326.11459	4.0
341.10840	4.0
341.13855	96.6
341.20697	3.9
342.14194	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01861	0.8
61.89023	0.6
65.03921	0.9
69.90390	1.2
69.90793	2.1
79.05478	2.0
81.07041	0.7
85.02898	1.0
91.05483	2.2
94.04177	3.6
95.04964	0.6
98.22678	1.2
103.05435	0.8
105.07006	0.8
107.04957	10.2
109.06501	2.2
111.04440	1.0
115.05460	1.3
117.07082	0.8
119.04945	1.7
121.06481	0.9
122.03645	6.1
125.05989	0.9
128.06235	3.0
129.07001	9.4
131.04918	4.3
131.08583	1.2
133.02869	1.2
134.03618	0.8
135.04408	1.1
137.05974	100.0
138.06279	2.5
143.08542	1.7
144.05704	4.7
145.06461	1.7
146.07222	1.0
147.04385	0.8
149.05998	1.9
151.03911	1.7
151.07539	4.7
153.05467	1.5
154.15034	0.6
156.05678	1.8
157.06493	5.2
158.07277	2.0
159.04378	0.8
159.62453	0.7
160.05205	2.0
161.05948	2.2
161.09572	1.0
162.06522	0.8
163.03894	2.2
163.07521	1.7
165.05443	2.5
165.06918	0.9
171.08081	1.7
172.05191	4.6
173.05872	1.0
174.06781	10.8
175.07555	6.7
177.05464	0.9
177.06915	0.8
179.07010	1.2
185.06047	0.7
187.07541	29.5
188.08102	2.0
189.07236	1.4
189.09096	15.9
190.07774	1.4
190.09415	1.0
191.07022	1.4
191.08580	4.1
194.07239	0.7
199.07542	4.5
201.09209	0.9
202.07878	3.0
203.06807	1.2
203.08539	12.1
204.09091	1.7
205.06487	2.2
207.08113	1.2
208.08778	2.2
209.09671	0.7
211.07553	1.9
217.06715	0.8
217.08603	18.9
218.07281	1.9
219.08047	10.5
220.08827	5.9
221.05940	1.3
221.09511	1.1
222.06812	0.7
225.09047	1.1
227.07065	1.5
230.07158	0.9
231.08049	13.8
232.08815	3.8
233.05974	2.1
233.09569	2.3
235.05663	1.1
235.07550	2.7
236.08316	2.6
237.09048	3.3
239.07172	1.4
240.07762	2.5
245.09625	1.4
247.07536	10.0
248.08305	16.2
249.05507	1.1
249.08954	3.6
250.06332	1.5
250.09897	0.8
251.10713	5.4
253.08658	2.7
255.06502	1.1
256.07291	0.9
259.07529	4.9
260.08224	2.8
261.05441	0.6
261.09079	3.8
262.09790	1.8
263.07217	1.8
263.10638	15.6
264.07819	3.1
264.10803	1.0
265.08563	7.8
268.07465	0.7
270.08853	2.4
271.09631	4.9
273.09073	0.7
275.06937	0.7
276.07852	8.8
277.08542	4.9
278.06174	0.8
278.09305	0.8
279.10144	11.6
280.10815	3.7
281.08032	2.0
281.11685	1.1
282.08859	0.7
283.09647	2.3
290.09390	1.1
291.10156	34.6
292.10699	5.7
293.08054	5.3
293.11569	1.6
294.08664	0.9
295.09720	1.5
296.10455	8.7
297.11096	4.0
305.11575	0.9
307.09647	0.9
308.10410	4.2
309.11176	2.3
311.12735	14.4
312.12885	1.3
313.14328	1.3
318.70657	0.7
323.12753	31.6
324.13171	2.6
327.65317	0.6
341.13812	26.1
342.14246	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Moracin T
Peak:m/z	Relative Intensity
55.01870	0.5
55.05514	0.7
57.07065	1.0
62.11963	0.5
62.81528	0.5
67.05502	0.8
69.03418	1.8
69.07059	2.0
69.51382	2.7
71.08633	0.8
79.05477	0.9
81.07045	1.0
83.04972	0.8
83.08584	0.5
91.05481	0.9
95.08601	1.0
103.05487	0.8
105.07000	0.9
115.05468	0.5
117.04047	0.5
119.08575	0.8
121.06480	0.6
127.55216	0.5
127.56123	0.5
129.06972	0.9
133.06456	0.8
137.05972	0.9
143.08534	0.5
144.05739	0.6
145.06474	1.6
147.04364	0.6
155.04948	0.5
157.06496	2.0
158.07265	1.4
161.05959	1.0
165.06952	1.0
168.05733	0.9
169.06490	0.6
171.04358	1.1
171.11615	0.6
173.06038	1.2
173.09595	0.7
183.04372	1.1
184.05341	0.6
185.05978	2.1
185.09595	0.7
186.06741	2.9
188.08228	0.7
189.09111	0.9
195.08080	0.8
196.05209	0.8
197.05885	0.9
198.06848	0.8
199.03981	0.6
201.05475	1.7
201.09108	1.9
204.11446	2.3
207.08109	0.5
209.09717	0.6
210.10373	1.0
211.11172	1.4
212.04729	0.6
213.05464	5.1
213.09030	0.7
214.06233	6.3
214.09961	0.6
215.06946	0.7
215.10704	0.8
221.09612	1.1
223.07562	1.0
224.04669	1.0
224.08214	0.5
225.05400	1.1
225.09056	1.0
225.12755	1.5
226.13426	1.2
227.03363	0.7
227.07014	1.4
227.10596	0.5
228.04146	4.0
228.07706	0.8
229.04965	8.0
229.08530	1.0
230.05702	0.8
235.07448	0.6
237.09091	1.1
238.06317	0.6
238.09967	0.5
239.07040	0.5
239.10684	2.0
240.04301	0.7
240.07750	0.7
241.04948	4.1
241.08693	0.7
242.05765	3.2
243.06451	0.9
243.10179	0.7
249.09103	1.0
251.06975	0.6
252.07632	0.7
252.11324	0.6
253.04866	1.1
253.08672	1.2
253.12222	1.2
254.13078	0.8
255.02956	0.8
255.10141	1.5
256.03644	0.8
256.07327	1.1
257.04465	10.3
257.08081	8.3
257.15375	1.6
258.05167	1.0
258.08780	1.3
265.08752	0.8
266.05948	1.1
266.09317	1.1
267.06668	0.8
267.10147	3.1
268.07318	1.7
269.04428	1.1
269.08072	1.6
270.05206	2.1
270.12524	1.4
271.05856	0.8
271.09647	2.0
272.06805	20.6
273.07571	9.8
277.08554	1.3
279.10117	0.7
280.07422	0.8
281.08084	2.9
281.11374	1.0
282.08524	0.5
282.12463	2.3
283.06049	1.3
283.09622	1.9
284.06757	2.4
284.10449	1.6
285.07568	23.6
285.14719	1.2
286.08035	3.2
291.10349	1.0
293.11597	0.7
295.06439	1.0
295.09686	10.0
295.13083	1.2
296.10068	0.8
297.07568	4.3
297.10898	0.9
298.08282	2.1
298.11694	0.9
299.09216	2.6
308.10446	0.8
309.11218	3.1
310.11932	6.4
311.08990	1.6
311.12509	0.8
312.09891	1.8
313.10825	1.3
313.14374	3.9
323.12836	1.0
326.11453	2.0
340.39331	0.7
341.13837	100.0
342.14166	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
69.03431	1.8
71.04992	1.0
71.29950	1.6
71.70816	1.1
73.04729	1.5
74.64070	0.8
79.05476	2.3
80.58945	0.8
81.07040	1.1
83.04976	1.0
85.02909	4.4
85.13736	0.9
90.58359	1.0
91.05486	3.6
92.06787	0.9
93.03397	1.1
93.07043	1.0
93.75871	0.9
94.04186	4.0
95.04964	1.0
97.02896	1.7
103.05481	2.3
105.07034	2.1
107.04952	2.5
109.06507	4.0
119.04979	2.0
122.03654	6.8
123.04449	1.0
125.05981	1.9
127.03953	1.3
128.06210	3.8
129.07001	8.6
130.07388	0.9
131.04933	3.9
131.08528	1.0
133.02856	1.4
137.05972	100.0
138.06329	3.0
143.04823	1.4
143.08604	2.6
144.05692	5.1
145.05040	1.0
145.06497	2.4
146.07234	2.2
147.04436	2.2
149.05968	4.2
151.03966	2.3
151.07524	4.6
151.11191	1.3
153.05438	2.4
157.06499	7.3
158.07301	1.9
159.04404	1.2
160.05235	1.1
161.06006	1.8
161.09531	1.5
163.05881	0.9
163.07529	2.3
163.10980	1.6
165.05473	2.0
171.08086	1.7
172.05217	5.5
174.06776	11.7
175.07539	7.4
177.05455	2.0
177.09174	1.3
178.04990	3.3
179.05302	5.4
179.06920	2.5
185.04100	1.0
187.07538	35.8
188.07956	2.5
189.09102	18.4
190.07687	1.4
191.07065	2.1
191.08569	5.1
199.07558	4.1
201.03694	16.4
202.07796	3.6
203.05276	14.1
203.08508	13.0
204.08813	1.1
205.06441	3.5
207.08064	1.1
208.08852	2.6
211.07544	3.1
217.08582	20.8
218.08955	1.1
219.08031	13.3
220.08789	5.4
221.05984	2.2
221.09656	1.7
222.06656	1.2
231.08067	16.3
232.08705	4.2
233.06006	2.1
233.09625	1.8
235.07527	3.5
236.08299	3.9
237.09090	2.1
239.06921	1.3
240.07976	2.2
246.06775	1.1
247.07535	9.7
248.08293	17.1
249.05499	1.2
249.08966	2.9
250.06235	1.7
251.10593	5.6
253.08600	3.7
259.07416	5.9
260.08252	2.7
261.09094	4.4
262.09833	1.5
263.07416	2.0
263.10681	16.8
264.07813	2.9
264.10663	1.0
265.08612	7.6
268.07404	1.5
270.08798	3.5
271.09641	4.5
276.07791	7.2
277.08530	4.2
278.08905	1.2
279.10129	12.8
280.10791	3.0
281.08084	3.5
283.09650	3.8
291.06866	1.9
291.10144	34.3
292.10629	5.5
293.08115	4.9
293.11310	1.2
295.09671	1.5
296.10391	8.2
297.11121	2.9
305.11749	1.0
308.10263	2.5
309.11093	3.6
311.12753	13.9
323.12772	30.0
324.13074	2.5
341.15967	90.2
342.16473	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1747
Annotation	Acuminatin
Peak:m/z	Relative Intensity
50.24267	0.8
51.02378	0.8
53.03944	1.9
55.01878	1.4
55.05504	0.7
65.03960	0.7
67.05493	0.8
69.11848	1.6
69.12247	6.0
73.97068	0.7
77.03921	0.9
78.04691	0.8
78.97990	0.7
79.05501	8.7
81.07043	1.1
86.22834	0.8
91.05476	10.5
93.07038	1.9
95.04974	2.8
95.08578	1.1
98.23348	1.9
103.05455	8.2
105.07034	6.6
105.47646	0.8
107.04957	100.0
107.08559	1.3
108.05302	3.0
109.06516	1.0
115.05447	9.9
117.07011	8.0
119.04890	1.6
119.08559	1.1
120.05777	0.9
121.06509	7.1
128.06207	7.6
129.07013	1.3
131.04939	4.2
133.06493	2.5
134.07320	0.8
135.04466	1.8
135.08058	10.8
136.05183	4.4
137.06010	4.5
141.06955	1.0
143.08572	9.4
144.08981	1.0
145.06497	7.7
145.07607	3.1
146.07262	12.5
147.04454	1.4
147.08044	5.9
149.02348	1.6
149.09674	1.8
150.06764	4.3
151.07552	19.9
152.07956	0.9
155.06041	1.2
157.10150	0.8
159.08022	0.9
160.08841	2.5
161.05994	1.6
161.09615	7.2
162.06737	5.4
163.07544	91.3
164.07884	4.3
165.09116	11.4
171.08051	12.8
173.06001	2.3
173.09700	0.8
175.07545	7.3
175.11253	1.1
177.09126	17.7
178.09898	51.2
179.10443	3.0
181.12273	3.0
187.07610	2.7
188.08330	15.6
189.08926	1.1
191.08745	0.8
191.10551	0.8
202.09830	0.9
203.10670	55.0
204.11095	2.5
217.12312	2.3
227.06982	1.4
237.09285	1.1
252.11432	1.1
263.10849	1.0
281.11810	1.0
281.15219	1.0
283.09604	1.0
295.13129	0.9
297.11176	1.8
298.08176	1.2
309.14700	1.3
311.12573	1.2
312.13638	2.6
341.10251	3.1
341.13770	2.8
341.17426	16.5
341.21371	1.6
342.17786	1.4
364.64917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80169	0.6
53.03942	1.3
55.01867	1.4
55.15157	0.5
57.44046	0.5
59.84493	0.6
62.64748	0.5
69.03455	0.6
69.04821	4.6
77.03915	0.7
78.06089	0.6
79.05494	8.1
81.07015	1.0
91.05473	10.4
91.77116	0.6
93.07050	1.5
95.04977	3.1
103.05478	8.7
105.07053	6.5
106.04152	0.5
107.04958	100.0
107.08601	1.8
108.05283	2.8
109.06519	1.1
115.05446	9.9
116.06244	0.7
117.07030	6.0
118.04145	0.6
119.04938	1.6
119.08545	0.9
120.05731	1.3
121.06510	5.9
128.06223	6.5
129.06995	1.0
131.04933	3.8
132.05765	1.1
133.06494	1.9
134.07341	0.9
135.04398	1.3
135.08058	12.1
136.05237	3.0
136.08369	0.7
137.06001	4.9
143.08563	7.5
144.05676	0.8
145.06479	5.9
145.07603	2.4
146.07274	11.1
147.04390	1.3
147.08046	6.7
149.05977	0.7
149.09578	0.7
150.06776	3.3
151.03951	0.7
151.07552	14.4
159.08075	2.7
160.08881	1.6
161.05989	2.0
161.09613	7.9
162.06778	4.4
163.07547	81.7
164.07855	3.2
165.09126	8.8
169.06500	0.7
171.08046	10.0
172.08485	1.0
173.05992	2.3
175.07571	7.1
175.11180	0.8
176.61122	0.6
177.09122	10.4
178.09901	49.5
179.10341	2.6
185.09821	0.6
186.10448	0.7
187.07515	2.4
188.08324	11.0
189.08928	0.7
194.07503	0.8
195.08136	0.7
203.10677	42.8
204.11078	2.4
209.09618	0.5
209.68475	0.6
217.12210	1.6
219.08018	1.0
221.09604	0.9
222.06378	0.6
223.07494	0.6
235.11192	1.2
237.09158	1.6
238.09595	0.6
239.10484	0.7
251.06989	1.2
251.10684	1.5
252.11420	2.3
253.08633	1.0
263.10629	1.6
265.08679	0.8
265.11792	0.7
278.12915	1.4
279.06638	0.7
279.10123	3.1
280.10693	0.9
281.11783	0.8
285.79935	0.7
294.12384	1.9
295.13275	1.1
297.11087	1.6
309.07767	0.9
309.11160	1.5
309.14792	4.3
310.11722	0.6
310.15326	0.9
311.09161	0.9
311.12619	1.0
312.13565	1.3
323.16330	1.9
326.15186	1.2
341.10428	1.1
341.13736	1.7
341.17407	10.5
342.10870	1.5
342.17484	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64186	0.4
53.00303	0.8
53.03951	1.7
55.01868	1.7
55.05505	0.7
65.03935	0.8
67.05511	0.7
70.25336	1.0
75.32848	0.5
79.05486	6.7
91.05476	11.5
93.07037	1.0
95.04959	3.6
98.22656	0.6
103.05476	6.4
105.04535	1.0
105.07034	5.7
106.07370	0.5
107.04957	100.0
107.08583	1.2
108.05214	2.4
109.06550	0.9
115.05460	9.6
116.06258	0.6
117.07014	5.4
119.04936	1.7
119.08565	1.3
120.05742	1.5
121.06522	5.7
128.06223	5.7
129.06990	1.1
131.04924	3.0
132.05647	0.7
133.06435	1.4
135.04393	1.3
135.08058	11.5
136.05190	3.0
137.05965	3.9
142.07855	0.6
143.08554	6.6
145.06477	5.7
145.07619	2.7
146.07275	10.1
147.04407	0.8
147.08073	6.7
149.09584	1.0
150.06772	1.9
151.07541	12.8
152.07822	0.7
155.06001	1.0
157.10201	0.6
160.08856	1.5
161.05992	1.1
161.09628	7.8
162.06760	5.3
163.07542	87.4
164.07864	3.4
165.09135	7.8
171.08052	8.8
173.05986	1.5
175.07538	7.4
175.11151	0.9
177.09111	10.1
178.09895	50.1
179.10338	2.7
187.07527	0.9
188.08315	11.1
193.08566	0.5
202.09949	0.9
203.10672	41.1
204.10956	1.8
217.12183	1.7
232.14256	0.6
235.11029	0.4
237.08807	0.6
251.73375	0.5
263.10504	0.8
279.98581	0.5
280.11148	0.6
281.11813	0.5
297.11240	1.2
309.14746	0.7
312.13501	1.4
326.14966	0.5
341.13812	0.6
341.17520	7.3
341.21347	1.1
342.17850	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.5
53.03941	4.2
55.01876	3.8
55.05512	31.3
57.03448	2.7
65.03933	1.9
67.05506	25.4
69.03436	4.6
69.07073	4.8
69.30503	9.3
79.05488	15.2
81.07056	14.0
83.04981	94.1
83.08644	2.1
84.05331	1.5
91.05476	22.6
93.07046	49.4
94.07378	1.7
95.04971	10.2
95.08606	56.2
96.08932	1.4
97.05949	1.2
97.06542	4.2
99.04460	2.2
102.24483	1.1
103.05452	2.9
105.04517	1.8
105.07029	30.8
107.08593	29.4
109.06527	8.2
109.10129	10.0
111.04441	50.9
111.08073	30.3
112.04696	1.3
113.06012	4.5
115.05471	4.3
116.06281	1.7
117.06999	11.2
119.08584	38.2
120.27780	1.1
121.06519	8.6
121.10155	16.7
123.08094	10.6
123.11742	1.6
125.05984	2.9
125.09572	1.4
127.07558	1.4
128.06226	6.5
129.07007	13.1
130.07777	3.2
131.07578	1.5
131.08560	30.3
131.09486	2.1
133.10133	19.0
135.08064	5.0
135.11720	3.0
137.09598	3.8
139.07564	22.8
141.06970	7.5
141.09154	2.3
142.07790	16.9
143.08559	29.5
144.09384	7.5
145.06511	3.7
145.10133	28.1
146.10741	1.9
147.08063	8.0
147.11682	13.6
149.09627	11.3
151.11185	1.6
153.07031	3.8
154.07774	2.9
155.08533	16.5
156.09338	18.4
157.10126	67.0
158.07315	1.2
158.10912	9.3
159.08086	6.3
159.11691	57.5
160.08885	1.9
160.12247	3.5
161.09625	11.4
161.13268	4.3
163.11218	3.6
165.07025	5.6
165.09087	1.8
166.07817	3.4
167.08539	10.4
168.09352	13.2
169.06473	1.4
169.10112	22.3
170.10924	15.0
171.08104	3.2
171.11682	51.6
172.08826	2.3
172.12389	6.7
173.09651	8.7
173.13257	32.4
174.10374	1.4
174.13867	1.8
175.11209	15.9
175.14793	2.8
178.07779	1.8
179.08592	9.4
179.10721	1.6
180.09322	4.3
181.10112	17.8
182.10880	8.1
183.11696	54.7
184.12445	14.2
185.09709	6.4
185.13258	50.9
186.10468	2.2
186.13829	5.5
187.11194	9.3
187.14795	17.9
189.12787	2.5
190.48486	1.3
191.08507	2.1
191.10616	2.3
192.09328	3.3
193.10135	10.4
194.10872	7.7
195.08113	1.7
195.11691	25.2
196.12457	10.3
197.09592	2.5
197.13278	29.5
198.10336	1.2
198.14006	19.0
199.11267	7.1
199.14819	41.1
200.15564	14.1
201.12737	20.3
201.16385	9.5
202.07755	1.3
202.13425	3.5
203.08818	1.4
203.10709	1.4
203.14359	3.2
204.09372	1.5
204.44125	1.2
205.10179	4.4
205.12254	3.5
206.10901	3.8
207.11679	11.0
208.12456	6.0
209.09770	2.5
209.13252	36.1
210.13843	5.5
211.11183	4.9
211.14809	22.1
212.11914	2.2
212.15474	3.5
213.13072	6.3
213.16371	50.8
214.13336	2.1
214.17068	12.9
215.08580	2.0
215.14339	3.3
215.17854	1.8
216.09363	2.6
217.10088	3.1
217.12177	2.1
218.10831	1.7
219.11732	5.9
220.08981	1.5
220.12474	4.4
221.09663	1.9
221.13237	10.3
222.10298	1.6
222.14011	3.8
223.11186	5.4
223.14804	24.5
224.12123	1.5
224.15575	35.7
225.12720	3.5
225.16310	15.6
226.13161	1.6
226.16740	1.8
227.14293	21.4
228.09306	2.5
228.14694	2.2
229.10139	4.0
229.12286	2.1
229.15884	9.3
230.10770	2.9
231.11737	5.2
231.17410	3.6
232.12459	2.7
233.09576	2.4
233.13301	3.8
234.14024	1.5
235.11177	4.5
235.14755	5.7
236.15489	1.6
237.12798	3.5
237.16388	3.6
239.08542	2.8
239.14363	5.1
241.10089	5.0
241.15862	9.4
242.10982	5.7
242.16641	37.8
243.11597	7.3
243.17343	4.2
244.12424	4.4
245.13246	3.6
245.15466	2.1
246.13960	1.8
247.11174	2.7
247.14931	4.5
248.11887	2.4
249.12781	4.0
249.16370	6.5
250.13504	2.2
251.14253	3.8
251.17923	7.7
253.10083	3.9
253.15912	2.8
253.19508	3.1
254.10899	5.8
255.08202	2.2
255.11684	11.6
256.08676	2.0
256.12479	11.5
257.09558	2.8
257.13214	9.0
258.10486	1.3
258.13919	3.3
259.14832	2.4
261.12778	2.9
261.16464	4.2
262.17014	1.5
263.14346	3.9
264.15134	2.5
265.10065	1.9
265.15796	1.7
266.10803	1.4
267.11685	3.8
267.17529	2.4
267.21078	2.7
268.12427	5.6
269.09720	4.9
269.13269	19.7
269.15762	1.6
270.10443	3.8
270.13983	12.2
271.11237	5.2
271.14798	11.5
272.11978	4.2
272.15479	2.0
273.12646	2.1
277.19611	4.7
279.11893	1.6
279.17404	15.2
280.12506	2.4
280.17957	1.4
281.13205	3.9
281.18994	3.4
282.10413	4.4
282.13913	4.1
283.11197	15.4
283.14838	14.7
284.11978	10.4
284.15573	12.6
285.12750	10.4
285.16364	11.7
286.13504	5.6
286.16733	1.9
287.14316	3.8
287.18015	3.7
290.16495	2.0
293.13229	5.9
294.13797	3.1
295.14380	2.3
295.17145	3.3
295.20599	9.5
296.12039	6.1
296.15146	1.5
297.12894	19.3
297.15744	2.2
297.18628	22.9
298.13486	14.5
298.17120	5.1
299.14307	13.1
299.17902	13.6
299.20651	2.9
300.15045	2.6
300.18518	3.1
305.19025	10.9
308.15359	2.9
309.16296	4.9
311.10834	1.1
311.14267	25.0
311.17548	2.7
312.14966	19.8
313.16022	17.3
313.18961	3.0
313.21606	7.7
314.16574	1.4
314.20178	2.7
323.20117	100.0
324.20557	7.6
325.15918	2.5
326.13058	1.7
326.16580	23.0
327.17383	52.4
327.21304	2.6
341.19107	91.8
342.19626	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
53.98773	1.7
55.05515	12.9
57.07063	2.0
65.03971	2.0
67.05504	23.3
69.03440	3.4
69.07072	3.1
71.04996	3.5
79.05492	20.1
81.03418	4.8
81.07063	25.5
83.04983	23.9
83.08643	6.7
85.06499	2.2
91.05475	21.4
93.07042	37.5
95.04960	15.4
95.08606	32.3
97.06552	6.7
99.26781	1.8
103.05516	2.2
104.50423	1.8
105.07038	31.1
107.04934	2.8
107.08591	23.4
109.06518	27.5
109.07130	1.9
109.10206	7.8
110.59760	1.9
111.04437	11.5
111.08069	12.6
113.06043	2.5
115.05515	3.3
117.07040	11.9
119.08589	52.3
121.06522	10.2
121.10149	12.5
123.08067	18.6
125.09711	3.6
128.06264	4.8
129.06984	9.6
131.08580	26.1
133.06557	4.7
133.10135	24.9
135.08043	14.8
135.11786	4.5
137.09624	10.2
139.07581	6.6
141.07025	4.7
142.07780	10.4
143.08548	19.0
144.09360	6.3
145.06454	9.6
145.10124	36.2
147.08038	9.2
147.11697	13.1
149.09702	5.5
152.06259	4.5
153.07030	4.7
154.07861	2.1
155.08556	16.1
156.09363	9.0
157.10132	36.6
158.10988	2.8
159.08080	12.1
159.11690	31.0
160.12447	5.1
161.09631	12.2
161.13287	6.1
163.11266	6.2
165.07068	5.8
166.07834	4.1
167.08609	6.3
168.09380	6.1
169.10124	11.2
170.11072	3.3
171.08109	5.3
171.11690	15.7
172.08818	4.2
172.12161	2.2
173.09624	18.7
173.13280	19.7
175.11269	7.5
179.08641	2.3
180.05779	1.9
181.06622	2.4
181.10167	9.1
183.08159	2.5
183.11699	26.0
183.13132	2.0
184.12177	4.0
185.09740	7.9
185.13254	18.4
186.10429	4.0
186.13924	2.6
187.11157	16.9
187.14812	4.2
189.12878	5.8
193.10278	4.2
195.08139	4.4
195.11826	8.4
196.12527	2.5
197.09694	4.4
197.13295	10.2
199.11185	22.3
199.14946	8.0
201.09087	1.9
201.12746	61.9
202.13385	4.1
203.14438	2.4
207.11815	5.8
208.05235	2.8
208.08784	1.9
208.12505	1.9
209.13332	7.0
210.14003	2.4
211.11331	2.7
211.14970	8.2
213.12732	10.5
213.16292	9.5
215.14409	4.7
219.11980	2.4
219.14029	2.0
221.13377	6.8
222.06877	4.6
223.07602	6.1
223.11403	2.6
223.14944	5.0
224.15611	4.6
225.09196	3.2
225.12851	6.7
225.16461	2.6
227.14294	17.0
229.15984	3.9
231.17632	3.0
233.13239	2.5
235.14838	3.4
236.04770	4.2
237.16481	2.3
239.14447	7.8
241.15822	11.4
242.16748	5.5
243.17490	2.2
247.14867	3.6
249.12775	2.5
250.06271	3.4
251.07074	18.5
252.07672	3.3
253.08702	7.6
259.17114	10.9
261.16431	2.1
263.14444	2.3
265.05054	2.7
265.15823	3.3
266.05722	2.7
267.17560	2.2
269.13412	2.3
277.16013	2.0
277.19687	5.6
278.02780	1.9
279.06512	14.5
280.07278	2.6
281.08347	8.0
281.15549	4.0
281.19171	3.8
283.14703	2.5
287.18073	4.2
291.70273	2.6
295.17563	3.4
295.20755	10.8
297.18689	4.2
298.04852	4.5
299.20309	2.2
305.19000	12.1
309.07562	15.7
310.35059	1.9
311.05942	2.5
311.09210	6.2
313.07291	5.3
323.20114	35.3
324.20639	2.5
326.07880	2.9
326.16675	2.7
327.08585	1.9
327.17538	4.5
341.06320	2.1
341.10205	43.5
341.14487	3.6
341.21307	100.0
342.04074	2.2
342.10809	13.8
342.21695	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.1
55.01862	3.1
55.05515	10.9
57.03440	1.3
57.07077	5.0
67.05508	13.0
68.10058	1.3
69.03425	6.7
69.07077	6.9
69.13755	11.3
71.05013	2.5
71.08635	12.5
72.41284	1.2
75.39539	1.1
78.56562	1.2
79.05494	15.3
81.07066	19.8
83.04990	5.0
85.06554	2.1
91.05466	13.1
93.03421	1.5
93.07053	24.4
95.04978	8.5
95.08611	18.3
96.05754	3.1
97.02895	14.0
97.06539	7.3
99.08104	5.6
103.05509	1.6
105.07045	13.3
107.04971	8.7
107.08578	6.4
109.06518	9.0
109.10153	6.9
111.04455	17.0
111.08122	3.3
113.06017	4.7
115.05455	2.1
115.12018	1.2
117.06992	2.7
119.08569	7.9
121.06505	13.4
121.10149	12.4
123.04456	5.9
123.08096	7.1
123.11681	3.1
124.05218	3.6
125.06017	2.5
128.06232	1.6
129.07007	2.9
131.08563	18.8
133.06502	2.0
133.10133	3.2
135.08040	3.6
137.05992	1.5
137.09618	2.1
139.11197	2.0
143.08554	4.3
145.06470	1.4
145.10147	2.5
146.07307	2.0
147.08023	2.9
147.11668	2.0
149.02338	7.8
149.09633	13.7
151.03989	1.6
151.07538	1.7
157.10135	3.7
159.11732	3.8
161.09637	1.6
161.13243	4.4
163.07544	7.9
163.11166	3.0
165.07018	1.6
165.09103	1.7
165.12784	9.8
167.10732	3.0
171.07961	2.4
171.11702	3.5
173.09709	1.3
177.09038	2.4
178.09872	3.7
179.14313	2.7
181.12238	100.0
182.12668	3.7
183.11696	1.4
185.13264	2.1
189.12798	1.9
190.88225	1.4
193.04964	3.7
195.11690	1.8
197.13196	2.0
198.06837	2.0
199.11290	1.9
201.12799	3.2
203.10667	4.5
207.13878	4.1
213.12788	2.9
223.07515	1.7
227.07080	2.6
229.05003	1.2
238.06056	1.4
241.04898	1.5
250.09709	1.4
251.07050	2.8
255.06645	3.0
257.04562	2.3
265.09021	1.5
266.05728	2.3
268.46985	1.5
269.08130	1.8
272.06827	1.9
279.06628	3.1
279.09933	1.4
280.07187	2.8
281.08023	2.5
282.12436	1.6
283.09851	1.5
284.06830	2.8
285.07684	3.9
287.20200	1.5
295.09857	2.4
295.13281	2.3
297.07651	3.3
298.08304	7.7
299.09143	2.1
305.21155	8.3
307.22690	2.2
310.12115	2.9
310.15353	1.7
313.10565	2.1
323.22379	2.3
326.07736	2.9
327.08578	5.5
341.06390	2.5
341.10126	13.0
341.13855	22.0
341.17456	4.4
341.20856	11.4
341.24603	1.9
342.10574	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.1
55.01847	4.0
55.05515	28.8
57.07068	9.3
63.84272	3.5
65.03902	3.6
67.05511	35.0
69.07069	45.8
69.80520	8.7
71.04995	7.3
73.16203	3.4
74.75325	3.5
77.19328	3.5
79.05504	23.1
81.03271	3.6
81.07058	100.0
83.08627	22.3
85.06552	4.6
91.05482	14.9
93.07045	52.5
95.04955	11.5
95.08608	84.5
95.09545	4.0
97.06522	14.6
97.10162	22.7
103.05479	3.9
105.07026	30.2
107.08604	50.5
109.06526	8.0
109.10162	59.4
111.08098	13.0
111.11759	7.9
115.07557	5.5
119.08588	25.4
121.06509	3.7
121.10152	44.8
123.08079	5.2
123.11706	33.5
123.82562	3.5
125.09670	9.7
131.04959	4.9
131.08578	6.2
133.10132	19.1
134.03658	9.0
135.04417	24.0
135.11703	28.6
137.06010	6.5
137.09615	10.9
137.13254	8.8
139.11165	7.5
143.08595	4.3
145.10118	6.6
147.11647	16.8
149.05975	6.8
149.13243	45.0
151.11150	10.1
159.09178	5.2
159.11646	7.2
161.13290	9.5
163.14796	15.0
165.12718	4.6
167.14331	3.9
170.98436	4.0
173.13350	4.5
177.16379	13.5
180.95187	4.2
183.08177	5.3
189.05507	7.4
189.16429	10.9
191.14360	4.4
193.15930	6.6
193.49599	4.6
245.04443	8.6
253.08777	4.2
275.23608	6.3
277.25238	8.4
287.23520	5.8
293.24634	16.6
299.05496	4.3
305.24756	24.7
309.10992	4.0
323.25870	9.7
341.10242	20.8
341.13467	17.9
341.21271	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	16.2
56.91149	3.8
57.03431	7.6
57.07074	35.1
67.05503	25.7
69.07065	22.8
71.08633	15.6
71.29799	5.1
79.05502	15.5
81.07058	77.3
81.25906	3.7
83.04967	12.6
83.08612	16.4
85.10194	6.7
90.96394	3.2
91.05476	14.8
93.07040	42.1
95.08610	100.0
97.10163	14.6
98.22897	5.2
105.07043	31.2
107.08599	46.0
109.10162	49.3
111.08077	6.6
119.08607	34.2
121.10136	34.2
123.11726	35.1
131.08540	7.4
133.10143	24.1
135.11711	34.6
137.13263	32.5
143.08665	4.4
145.10121	19.7
147.11722	27.7
149.09624	10.6
149.13255	45.1
151.14842	9.2
157.10141	8.0
159.11717	19.1
161.09605	6.6
161.13223	11.6
163.11188	8.9
163.14795	17.6
171.11696	8.2
173.13278	20.6
175.11172	4.6
175.14862	13.1
177.12805	7.3
177.16412	5.6
185.13226	12.4
187.14847	10.5
189.12717	13.3
189.16383	9.4
191.14349	19.8
199.14861	7.5
201.16425	10.4
203.14330	19.2
203.17979	13.3
213.16481	5.2
217.15982	7.8
219.17294	4.4
248.15485	3.6
311.66208	4.5
323.27386	31.8
341.09799	12.0
341.21762	5.3
341.27924	69.3
342.10257	10.9
342.29031	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	41.9
57.07079	50.1
58.29618	4.3
67.05505	15.5
69.07068	93.6
69.12346	38.1
70.33585	4.4
70.76055	4.6
71.08634	29.7
79.05490	12.7
81.07051	44.1
83.04988	8.3
83.08622	62.3
84.09041	6.0
85.06549	6.1
85.10174	19.7
91.05470	7.7
93.07043	13.3
95.08598	51.7
97.06553	5.8
97.10171	48.3
98.23362	9.7
101.15861	4.5
105.07048	12.3
107.08594	21.1
108.84744	5.2
109.06503	5.9
109.10162	26.0
111.08097	9.2
111.11720	26.2
113.09622	5.1
115.07555	8.1
119.08574	13.7
121.10138	13.1
123.08046	7.6
123.11690	15.0
125.09678	9.4
125.13287	10.0
127.21767	4.6
129.09134	6.3
131.08571	6.4
133.10117	14.0
133.67274	4.4
135.11688	12.9
137.09599	6.0
137.13249	6.6
139.11206	7.8
147.11681	9.7
149.13217	7.1
151.11191	6.6
157.10056	6.4
159.11623	7.2
161.13239	17.5
165.12764	15.0
169.12326	6.9
175.14876	9.8
175.93143	5.2
179.14331	8.5
183.13733	8.0
201.12726	30.2
237.26941	4.6
251.06937	5.9
287.27133	6.3
305.28342	11.6
309.11096	6.2
341.09946	21.1
341.13831	19.1
341.17307	23.8
341.21091	8.3
341.26959	24.4
342.37286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62334	0.3
55.01863	0.3
61.02921	0.3
69.03429	0.5
70.06607	0.5
71.05442	0.5
72.08150	0.7
81.03397	0.4
81.07031	0.7
84.08125	0.3
85.02907	1.6
86.06078	0.5
91.05816	0.6
92.24841	0.3
97.02884	0.6
99.08092	0.9
109.02871	0.3
110.07159	0.7
111.04465	0.3
113.26049	0.3
117.09131	1.0
123.04445	0.6
127.03943	0.7
133.02747	0.4
134.06026	0.4
145.04930	0.6
152.07121	0.5
160.79961	0.3
162.05525	0.4
174.11487	0.3
177.09351	0.3
179.03258	0.9
180.06316	100.0
181.04741	9.1
181.06647	2.3
185.04205	1.6
198.07341	0.4
210.13513	0.7
214.74998	0.3
232.25859	0.4
314.14755	0.3
339.13821	0.3
342.11548	21.4
343.09680	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58466	1.9
55.53175	1.8
57.03432	8.0
60.87259	1.9
69.03417	5.5
69.21473	11.8
69.21874	4.4
70.06596	2.7
71.04979	2.8
71.08634	3.6
79.05495	2.8
81.03427	3.4
81.07051	3.7
85.02909	16.3
91.05771	4.0
93.07056	2.1
97.02915	3.6
99.08100	14.5
105.07007	2.4
107.04929	3.0
109.02862	3.7
110.52616	2.3
117.09128	100.0
118.09496	2.3
121.06546	3.3
123.04504	2.1
127.03915	4.3
127.07556	4.2
145.04967	3.5
151.42548	2.0
161.07066	3.5
162.05511	7.8
162.07471	3.7
163.03920	6.5
163.09633	12.6
180.06544	3.2
181.04829	2.6
182.19315	1.9
192.08400	2.1
194.56337	2.1
208.07970	5.4
324.12766	11.8
342.11371	2.9
343.13644	3.4
360.02710	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33979	2.0
55.05500	7.7
57.03438	3.1
57.07074	15.0
60.11605	2.1
61.02916	3.6
67.43494	2.0
69.03426	5.6
70.06581	8.3
71.30022	3.3
75.75362	2.2
83.08620	3.6
85.02908	24.1
86.09692	3.6
89.06031	39.1
90.91065	2.0
91.05464	3.7
93.07053	2.3
97.02890	5.8
99.49380	2.0
101.09649	18.5
103.05436	3.1
107.04995	2.3
107.07060	40.4
107.08591	2.7
109.85474	2.0
118.76552	1.9
123.30278	2.2
127.03889	3.9
131.04942	3.6
137.05965	11.6
145.04944	4.8
147.04440	3.1
149.06042	2.2
153.05475	2.7
163.06105	3.6
163.07503	4.0
163.13297	100.0
164.13623	4.2
189.09134	3.0
191.03410	8.1
218.09256	2.0
265.08496	2.6
311.09125	2.7
311.12729	3.4
318.23309	2.1
342.14227	3.3
343.07977	2.9
343.17081	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44377	3.7
61.02876	3.8
68.67478	3.4
71.28714	6.3
80.05460	4.1
81.03416	6.9
85.02903	8.9
93.03410	14.0
121.02864	6.6
142.03461	4.5
144.99829	6.2
153.03975	6.7
157.03493	5.5
165.13072	3.7
168.02428	3.5
169.03474	13.0
171.05093	8.3
179.01846	12.7
196.22678	3.7
197.02951	100.0
198.03261	5.8
215.03979	41.7
233.05072	15.5
237.30025	3.7
265.01962	9.6
280.06674	5.7
283.03018	12.7
293.01694	4.0
311.02539	40.2
329.03546	45.1
330.03760	5.8
343.04352	60.7
343.12329	23.4
344.08661	7.2
361.06097	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.4
55.05497	0.8
58.99855	1.2
61.02938	2.2
62.61826	0.4
64.08533	0.4
65.03941	2.2
67.05500	1.0
68.98291	0.5
69.03423	0.9
69.42781	1.9
70.06591	0.7
70.99841	0.7
72.08135	0.4
73.02920	0.6
81.03414	3.0
83.04994	2.9
84.08114	0.4
85.02910	3.6
86.99309	1.2
91.02430	0.5
91.03925	1.5
93.03407	12.2
95.04961	1.8
97.02879	1.3
101.00842	1.3
105.00375	1.2
107.03450	1.9
108.97768	0.4
109.02898	2.0
111.04423	1.3
113.00860	0.9
115.02396	1.1
119.01904	2.1
121.02849	3.7
125.04476	1.6
126.39690	0.4
126.98755	2.1
127.02418	1.0
127.03899	0.5
129.04004	1.0
131.01881	1.9
133.03424	1.2
135.02937	0.7
139.02415	2.4
139.03911	0.6
141.03951	2.0
142.03453	0.7
144.99831	6.4
145.03491	0.9
145.04904	1.2
147.01353	0.6
147.04967	0.8
150.02812	0.4
151.02362	3.3
152.02554	0.4
153.03979	7.7
155.01874	1.4
155.05579	0.5
157.03500	2.8
159.05057	2.1
161.00758	2.1
161.02937	0.6
163.00824	0.9
163.06059	0.8
165.03989	0.6
167.01907	0.9
169.02023	0.9
169.03465	14.0
170.03622	0.8
171.05029	11.1
172.05215	0.6
172.99324	3.2
173.02954	1.8
175.04549	0.8
177.00372	1.2
177.02423	1.1
179.00374	0.8
179.01884	12.1
179.03459	0.6
180.02003	0.6
181.03487	0.7
181.07011	0.4
183.05022	2.6
187.04498	3.7
189.02440	0.6
191.00320	2.2
193.03458	0.5
195.01392	7.0
197.02956	100.0
198.03130	6.1
198.98412	0.6
201.06126	0.6
205.01917	1.2
209.02957	1.3
211.04500	1.6
213.02420	1.1
215.04008	51.0
216.04152	3.8
218.06516	0.5
220.04645	1.2
221.02957	1.6
223.03065	0.6
227.04065	1.3
229.05623	1.1
233.05063	22.1
234.05296	1.5
238.05611	0.5
245.05006	0.8
247.00951	1.0
247.06689	1.2
249.02458	1.9
253.05569	0.5
262.05597	1.1
265.01990	8.1
266.02008	0.5
267.03391	1.0
269.05579	0.7
271.06302	0.5
275.00372	0.6
280.06824	0.8
283.02979	17.1
284.03152	1.3
287.06171	1.1
289.07758	0.7
289.22568	0.4
293.01395	5.4
297.04568	0.7
301.04044	6.9
311.02460	36.2
312.02637	3.2
315.05670	1.0
325.04132	0.5
326.07916	1.0
329.03531	59.4
330.03790	4.4
333.06570	0.9
334.03915	0.7
343.05115	7.5
343.09265	0.8
343.85806	0.4
344.05167	0.7
344.09009	3.3
352.05106	1.6
361.06146	13.1
362.06177	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0811
Annotation	Phyllocoumarin
Peak:m/z	Relative Intensity
53.03920	0.5
55.01852	1.1
55.22731	0.3
57.15174	0.3
64.16415	0.4
65.03922	1.5
66.75949	0.3
67.05482	0.8
68.99776	1.0
69.38511	0.3
69.50341	1.6
71.04965	0.4
77.03945	0.5
79.05485	3.2
81.03431	0.4
81.07058	0.8
85.02871	0.6
88.36370	0.4
89.03899	0.8
91.05483	5.4
93.03388	0.8
93.07021	0.7
94.04140	0.4
95.01269	0.5
95.04966	2.1
97.99907	0.4
98.23363	0.7
102.04727	0.4
103.05477	3.3
105.03374	0.4
105.07040	2.0
107.04282	0.5
107.04950	5.9
109.02856	0.5
109.06528	0.7
111.04406	0.5
115.05432	1.7
117.03424	0.6
117.07002	0.7
119.04951	4.8
119.08501	0.5
121.02834	0.4
121.06499	1.1
122.03607	1.4
123.04433	13.4
125.05948	0.5
127.57018	0.4
129.06964	1.0
131.04919	4.1
131.08554	0.6
133.02832	0.8
133.06453	0.8
135.04411	7.3
135.08022	0.5
137.02324	5.3
137.05975	15.2
137.07034	0.7
137.56981	0.4
141.06943	0.5
143.04898	1.0
145.02800	1.3
145.06451	0.9
146.03612	1.6
147.04408	10.8
147.08055	0.4
149.05956	3.2
150.06709	0.6
151.03868	1.7
151.07538	1.3
153.05437	1.5
157.06526	0.5
158.07230	0.4
159.04407	0.7
159.08066	0.8
160.05154	0.5
161.05978	7.0
162.06717	1.1
163.02684	0.6
163.03917	6.6
163.07529	4.4
164.08224	0.6
165.05470	1.8
165.06891	0.8
165.09038	0.6
166.07814	0.7
167.07088	0.6
167.08531	0.4
169.06471	0.4
173.02393	0.4
173.05978	0.6
174.06786	0.9
175.03929	0.7
175.07539	5.2
177.05571	0.6
177.07004	0.6
177.09192	0.5
178.07753	0.4
179.03392	4.5
179.08537	0.7
181.04984	0.8
181.06480	0.9
181.08604	0.6
186.03069	0.5
187.03914	0.6
189.05473	0.6
189.09097	2.2
190.07787	0.6
191.03387	100.0
192.03871	5.8
193.06560	0.4
193.08589	0.5
194.07332	1.9
195.08008	0.6
201.05432	1.7
201.07140	0.3
201.09059	0.8
203.03375	2.6
205.04924	1.3
205.06619	1.9
205.10216	0.9
206.07079	0.5
207.08047	0.9
211.07536	0.6
218.07172	0.5
219.08199	0.5
219.10172	1.7
221.04323	5.4
221.06049	0.9
221.09454	0.6
222.04877	0.4
222.06767	2.1
223.07542	0.6
224.08264	0.7
225.09093	0.5
227.10602	0.4
233.04221	0.9
233.06230	0.8
233.09622	1.7
234.06723	0.6
235.07526	1.7
236.08507	0.4
237.09081	2.3
239.07059	0.8
239.10524	0.4
247.07681	0.5
249.05409	0.6
249.09105	0.5
250.06241	2.4
250.09830	0.5
251.06940	0.7
252.07750	0.4
253.08545	0.7
261.09155	1.1
262.09622	0.5
263.06836	0.5
264.07782	0.9
265.08609	4.5
265.11978	0.7
266.09134	0.9
267.06519	0.5
267.10126	0.7
269.08109	1.1
277.08582	0.5
278.09390	0.7
279.10086	0.7
281.08160	0.6
282.08841	1.5
283.09741	0.6
283.12970	0.5
284.10217	0.6
292.07349	0.9
293.08081	1.9
293.11719	2.3
297.11221	4.3
299.12671	3.5
307.09610	1.9
310.11819	0.5
311.12750	5.9
313.10648	0.5
313.14362	1.4
325.10751	3.1
325.14413	2.5
343.08160	22.8
343.11588	1.5
343.14963	5.5
344.08499	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0813
Annotation	Platycarpanetin
Peak:m/z	Relative Intensity
53.03943	1.9
55.01861	1.4
55.05501	2.3
57.02671	1.1
67.05489	1.7
71.31007	1.9
71.33040	0.9
75.04507	1.0
79.05482	1.8
81.03417	14.1
81.07032	1.9
83.04955	2.3
85.02919	1.0
89.30668	1.1
91.05462	3.8
93.07037	5.6
95.04938	1.8
95.08598	5.7
97.06528	1.5
98.27159	0.8
100.40860	0.9
105.07012	3.8
107.04939	3.2
107.08597	2.8
109.06485	1.7
109.10143	0.9
111.04473	1.5
111.08073	3.8
116.36700	0.9
117.07068	1.2
119.08565	11.8
121.06470	1.6
123.08113	1.5
128.06218	3.6
129.06970	2.9
130.04099	1.6
131.08575	1.9
133.10100	7.4
135.08063	1.8
135.11694	1.5
137.05992	1.4
139.05417	1.9
139.07545	4.2
141.06963	1.1
143.08578	2.4
145.06502	2.0
145.10107	3.6
147.11679	2.6
148.69519	1.0
151.03908	1.8
151.07532	1.2
152.06247	1.6
153.07004	1.4
154.04147	1.3
154.07825	1.2
155.04980	2.4
155.08533	2.5
156.09412	1.0
157.10127	3.8
159.08047	3.4
159.11656	1.1
165.06961	3.0
166.07686	1.1
167.08641	1.4
168.05730	2.4
169.04659	1.0
169.06450	3.1
169.10126	3.2
170.07240	1.3
170.10942	1.7
171.08011	1.6
171.11691	2.6
173.09613	1.6
174.03113	1.5
179.08612	1.6
181.06517	3.2
181.10164	1.7
182.07159	1.1
183.04404	6.9
183.08057	1.5
183.11739	2.8
184.05225	8.0
185.05952	3.3
185.09567	2.3
186.06493	1.2
187.11232	2.3
191.07109	1.1
193.06494	1.3
195.04410	3.5
195.08047	1.6
196.05228	4.4
197.02295	1.1
197.05978	6.7
197.09503	1.3
197.13280	1.7
198.03082	1.2
198.06610	1.8
199.03864	5.5
199.07515	3.4
199.11221	2.0
199.14836	1.8
201.05379	1.8
201.09071	1.9
203.10568	1.2
207.11662	1.1
208.05113	1.0
209.05943	3.5
209.09520	1.2
209.13255	1.9
210.03035	1.8
210.06700	3.2
211.03882	5.4
211.07491	3.1
211.11133	2.6
211.92186	1.0
212.04669	17.2
212.07906	1.5
213.05470	30.2
213.12839	1.1
214.06140	2.7
215.03351	1.4
215.07066	1.3
216.04155	1.2
221.06012	1.5
223.03918	8.3
224.04648	7.5
225.05438	14.4
225.09061	2.8
225.12697	1.1
226.02654	1.2
226.06245	6.3
227.03448	5.2
227.06961	7.4
227.10507	1.3
227.14259	2.4
228.07735	1.5
229.04947	4.4
229.08543	1.1
235.07420	1.3
236.04756	1.5
237.05424	4.2
238.06200	3.6
239.03368	7.0
239.07002	2.8
239.14334	1.8
240.04184	33.2
240.07751	1.7
241.04947	24.8
241.08513	4.7
242.05638	4.0
242.09401	1.4
243.02895	1.2
243.06470	1.3
244.03722	2.7
245.15448	1.5
251.03369	10.9
251.05818	1.2
251.07166	1.9
252.04182	13.6
252.07864	1.0
253.04964	20.4
253.08510	5.6
254.05768	12.9
254.09200	1.5
255.06523	9.2
256.03589	1.2
256.07166	5.8
257.04492	3.0
257.08011	6.4
257.15509	1.5
265.04959	1.9
266.05820	3.4
267.02921	5.8
267.06525	17.8
268.03665	58.7
268.07233	18.9
269.04425	54.8
269.07864	4.6
270.04977	7.0
270.08557	3.1
271.05881	2.0
272.06900	1.9
273.07550	1.6
279.02954	2.4
279.06543	2.6
280.03625	1.5
281.04419	3.8
281.08105	11.5
282.05203	5.1
282.08331	1.8
283.06006	57.4
283.09448	3.5
284.03464	0.9
284.06720	29.0
285.04071	3.2
285.07532	26.0
285.10861	2.3
295.06033	1.9
296.03156	43.8
296.06235	1.7
297.03790	9.0
297.07468	3.8
298.04755	2.0
298.08307	6.1
299.05368	5.4
299.09036	27.7
300.06204	1.4
301.06906	1.5
307.16812	2.1
311.05481	57.0
311.09103	15.7
312.06271	70.6
312.09702	7.0
313.06888	14.5
313.10645	7.1
313.16006	1.2
314.07498	8.2
315.08643	11.7
325.07068	4.2
325.18030	7.3
328.05771	2.0
328.09369	7.5
343.08075	100.0
343.11655	13.2
343.19858	4.5
344.08392	6.5
344.12030	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0813
Annotation	4,2'-Epoxy-4'-hydroxy-5,7,5'-trimethoxy-3-phenylcoumarin
Peak:m/z	Relative Intensity
52.36093	0.3
54.98700	0.4
69.04375	2.6
72.08137	0.9
92.45028	0.3
95.05010	0.4
95.08624	0.4
100.83138	0.3
105.07032	0.7
107.08553	0.7
115.05424	0.6
128.06261	0.8
129.06956	0.4
139.05447	0.4
141.07001	0.4
143.08540	0.3
145.06519	0.6
145.10156	0.6
150.13351	0.3
151.07545	0.5
155.04907	1.2
156.05554	0.3
157.06493	0.7
165.07100	0.4
169.39243	0.4
171.04443	1.6
173.05983	0.3
183.04396	1.9
184.05144	0.8
185.06007	1.3
195.04539	0.3
197.09590	0.5
198.03172	0.3
199.03911	4.0
200.04529	0.6
201.05582	0.4
209.02255	0.4
209.62451	0.3
210.06758	0.7
211.03922	2.0
212.04681	0.7
212.08357	0.3
213.05450	2.7
214.02486	0.4
214.06105	0.6
214.71165	0.3
223.03893	0.5
225.05399	0.6
225.09097	0.9
226.02574	0.9
227.03413	3.9
227.06978	0.5
228.04210	2.4
229.04893	0.4
237.01917	0.4
238.06158	0.6
239.03404	2.2
240.04126	1.0
241.04919	4.6
242.01941	0.5
242.05544	1.5
243.02861	0.5
243.06474	1.1
251.03439	0.4
253.04948	0.9
253.08635	0.5
254.02191	1.8
254.05756	0.6
255.02861	2.2
255.06378	0.5
256.03696	3.4
257.04434	2.1
267.02945	3.1
267.05811	0.5
268.03595	1.1
268.07144	0.5
269.04492	4.9
270.05185	2.0
271.02429	0.3
271.02963	0.4
271.05991	2.8
272.06583	0.6
273.04147	0.5
280.03687	0.4
281.05011	0.4
281.08002	1.7
282.01627	0.4
282.05118	0.9
282.08234	0.4
283.02368	1.1
284.03146	3.5
284.06381	0.5
285.03964	6.6
286.04639	0.4
286.08023	0.4
295.02267	0.9
297.03937	24.9
298.04568	3.0
298.08069	0.5
299.05502	15.2
300.06262	12.2
300.09271	0.4
301.06610	0.9
311.01889	0.5
311.05460	0.8
311.09125	1.4
311.12375	0.3
312.09879	0.6
313.03458	7.9
313.07028	1.0
313.10754	0.9
314.03973	1.5
325.03439	0.6
326.04272	0.4
326.30548	0.3
327.05014	7.1
328.05743	5.6
328.09210	1.0
343.08115	100.0
343.33240	0.6
344.08447	8.5
344.12112	0.4
360.51706	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01861	1.4
55.05501	2.3
57.02671	1.1
67.05489	1.7
71.31007	1.9
71.33040	0.9
75.04507	1.0
79.05482	1.8
81.03417	14.1
81.07032	1.9
83.04955	2.3
85.02919	1.0
89.30668	1.1
91.05462	3.8
93.07037	5.6
95.04938	1.8
95.08598	5.7
97.06528	1.5
98.27159	0.8
100.40860	0.9
105.07012	3.8
107.04939	3.2
107.08597	2.8
109.06485	1.7
109.10143	0.9
111.04473	1.5
111.08073	3.8
116.36700	0.9
117.07068	1.2
119.08565	11.8
121.06470	1.6
123.08113	1.5
128.06218	3.6
129.06970	2.9
130.04099	1.6
131.08575	1.9
133.10100	7.4
135.08063	1.8
135.11694	1.5
137.05992	1.4
139.05417	1.9
139.07545	4.2
141.06963	1.1
143.08578	2.4
145.06502	2.0
145.10107	3.6
147.11679	2.6
148.69519	1.0
151.03908	1.8
151.07532	1.2
152.06247	1.6
153.07004	1.4
154.04147	1.3
154.07825	1.2
155.04980	2.4
155.08533	2.5
156.09412	1.0
157.10127	3.8
159.08047	3.4
159.11656	1.1
165.06961	3.0
166.07686	1.1
167.08641	1.4
168.05730	2.4
169.04659	1.0
169.06450	3.1
169.10126	3.2
170.07240	1.3
170.10942	1.7
171.08011	1.6
171.11691	2.6
173.09613	1.6
174.03113	1.5
179.08612	1.6
181.06517	3.2
181.10164	1.7
182.07159	1.1
183.04404	6.9
183.08057	1.5
183.11739	2.8
184.05225	8.0
185.05952	3.3
185.09567	2.3
186.06493	1.2
187.11232	2.3
191.07109	1.1
193.06494	1.3
195.04410	3.5
195.08047	1.6
196.05228	4.4
197.02295	1.1
197.05978	6.7
197.09503	1.3
197.13280	1.7
198.03082	1.2
198.06610	1.8
199.03864	5.5
199.07515	3.4
199.11221	2.0
199.14836	1.8
201.05379	1.8
201.09071	1.9
203.10568	1.2
207.11662	1.1
208.05113	1.0
209.05943	3.5
209.09520	1.2
209.13255	1.9
210.03035	1.8
210.06700	3.2
211.03882	5.4
211.07491	3.1
211.11133	2.6
211.92186	1.0
212.04669	17.2
212.07906	1.5
213.05470	30.2
213.12839	1.1
214.06140	2.7
215.03351	1.4
215.07066	1.3
216.04155	1.2
221.06012	1.5
223.03918	8.3
224.04648	7.5
225.05438	14.4
225.09061	2.8
225.12697	1.1
226.02654	1.2
226.06245	6.3
227.03448	5.2
227.06961	7.4
227.10507	1.3
227.14259	2.4
228.07735	1.5
229.04947	4.4
229.08543	1.1
235.07420	1.3
236.04756	1.5
237.05424	4.2
238.06200	3.6
239.03368	7.0
239.07002	2.8
239.14334	1.8
240.04184	33.2
240.07751	1.7
241.04947	24.8
241.08513	4.7
242.05638	4.0
242.09401	1.4
243.02895	1.2
243.06470	1.3
244.03722	2.7
245.15448	1.5
251.03369	10.9
251.05818	1.2
251.07166	1.9
252.04182	13.6
252.07864	1.0
253.04964	20.4
253.08510	5.6
254.05768	12.9
254.09200	1.5
255.06523	9.2
256.03589	1.2
256.07166	5.8
257.04492	3.0
257.08011	6.4
257.15509	1.5
265.04959	1.9
266.05820	3.4
267.02921	5.8
267.06525	17.8
268.03665	58.7
268.07233	18.9
269.04425	54.8
269.07864	4.6
270.04977	7.0
270.08557	3.1
271.05881	2.0
272.06900	1.9
273.07550	1.6
279.02954	2.4
279.06543	2.6
280.03625	1.5
281.04419	3.8
281.08105	11.5
282.05203	5.1
282.08331	1.8
283.06006	57.4
283.09448	3.5
284.03464	0.9
284.06720	29.0
285.04071	3.2
285.07532	26.0
285.10861	2.3
295.06033	1.9
296.03156	43.8
296.06235	1.7
297.03790	9.0
297.07468	3.8
298.04755	2.0
298.08307	6.1
299.05368	5.4
299.09036	27.7
300.06204	1.4
301.06906	1.5
307.16812	2.1
311.05481	57.0
311.09103	15.7
312.06271	70.6
312.09702	7.0
313.06888	14.5
313.10645	7.1
313.16006	1.2
314.07498	8.2
315.08643	11.7
325.07068	4.2
325.18030	7.3
328.05771	2.0
328.09369	7.5
343.08075	100.0
343.11655	13.2
343.19858	4.5
344.08392	6.5
344.12030	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30195	0.4
59.06425	0.4
59.59026	0.3
69.03420	0.5
69.38668	1.9
69.39075	0.6
70.06614	0.5
70.08466	0.4
81.03404	0.6
85.02899	1.7
91.05432	0.8
97.02917	0.6
101.44056	0.4
119.04944	1.6
123.04451	0.4
147.04401	9.0
161.07065	0.4
163.03874	0.5
163.07581	0.5
165.05501	4.2
181.04718	100.0
182.05077	2.9
185.04225	4.2
194.97462	0.7
212.98621	0.4
213.03477	0.4
218.83075	0.4
226.74210	0.5
236.86742	0.4
298.76035	0.4
325.12909	1.8
343.05777	1.0
343.09894	15.2
343.13629	27.6
343.99738	1.1
344.10239	0.8
344.13953	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1174
Annotation	2-(2,4-Dimethoxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
55.56398	0.6
57.07061	2.3
71.08620	1.0
76.32755	0.7
85.10189	1.4
95.08583	1.8
98.22624	1.7
104.21711	0.6
109.10140	1.1
130.50708	0.6
152.06187	1.3
153.06969	1.7
154.07735	2.3
155.08569	0.9
161.05917	0.7
165.07004	10.0
166.07758	1.8
167.08557	2.7
169.06453	1.2
169.10214	0.7
169.29277	0.6
169.30679	0.7
171.04445	1.1
171.07988	0.9
178.07771	0.6
179.08525	2.5
181.06461	4.3
182.07266	20.9
183.07993	1.8
184.05170	0.7
185.05937	0.9
192.05652	0.9
193.06496	0.8
194.07207	1.4
195.08018	3.7
196.08821	1.6
197.05969	1.7
197.09615	12.0
198.06723	0.8
199.03828	2.1
199.07507	4.4
207.08018	1.7
208.05220	1.8
209.05997	2.3
210.06744	26.0
211.07501	3.1
212.08350	1.5
214.06284	0.8
220.05119	0.8
221.05867	1.0
222.06744	2.7
223.03944	2.7
223.07530	4.4
224.08257	3.2
225.05873	3.3
225.09096	47.0
226.06213	1.8
226.09445	3.5
227.07021	5.6
235.07526	2.8
237.05441	3.9
238.06230	20.4
239.06865	3.3
240.07802	8.0
240.23221	21.1
241.04886	1.0
241.08571	2.4
242.05763	1.7
242.09386	3.7
251.06967	4.1
252.07819	5.9
253.05035	2.4
253.08594	41.9
254.05508	0.8
254.09027	3.2
255.06522	3.4
255.10233	3.1
256.07138	0.9
257.07996	0.9
265.04965	2.1
266.05737	7.5
267.06580	3.5
267.10074	3.2
268.07312	7.4
269.07965	2.5
270.05344	0.7
270.08917	4.5
280.07205	3.6
281.08078	100.0
282.08511	6.3
283.06094	2.7
283.09665	5.0
284.06876	0.9
285.07553	2.4
285.11188	3.8
296.06821	2.4
297.07669	5.2
298.08331	6.4
311.09125	39.6
312.09805	7.5
313.07059	3.6
313.10583	18.7
313.14166	1.3
314.10910	1.3
328.09567	5.8
343.11743	34.5
344.12231	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1175
Annotation	3-(4-Methoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
55.01866	0.8
55.05501	0.7
56.24453	0.5
62.96197	0.5
69.07068	0.6
69.24853	2.7
69.25257	0.9
72.08148	3.4
79.93291	0.5
91.05479	1.2
98.06059	1.1
105.35196	0.4
107.04956	5.9
107.08574	0.6
115.05451	0.6
127.71785	0.5
131.04852	0.6
139.05415	0.7
141.06976	1.1
143.04967	0.6
147.04431	1.5
149.05974	1.1
151.03899	1.6
151.07520	1.1
152.06218	1.9
153.06999	1.8
154.07774	2.3
155.08569	0.9
158.07263	0.6
163.07524	6.2
164.08339	0.8
165.07014	9.8
166.07703	2.4
167.04956	0.8
167.08664	3.3
168.05716	0.6
169.06476	1.8
169.10168	0.7
170.07149	0.7
171.04376	0.9
171.08009	0.7
178.07727	1.1
179.08566	2.5
180.05725	0.6
180.07831	1.0
181.06483	3.9
182.07281	22.0
183.04431	0.6
183.07835	2.6
184.05168	1.1
185.05927	1.0
191.10693	2.1
192.05746	1.0
193.06483	1.8
194.07195	1.1
195.04424	0.9
195.08090	4.0
196.08833	2.1
197.05959	1.8
197.09630	12.5
198.06683	1.6
198.09839	0.8
199.03990	2.6
199.07585	4.4
207.08182	2.6
208.05199	1.5
209.06039	2.8
210.06763	28.5
211.04092	0.7
211.07445	3.2
212.04701	1.3
212.08282	1.7
213.05479	2.2
213.09113	1.2
214.06216	0.9
220.05228	1.1
221.06013	2.2
222.06821	3.6
223.03879	3.0
223.07491	4.0
224.04625	0.8
224.08286	3.6
225.05850	4.8
225.09105	55.7
226.06146	2.3
226.09483	4.0
227.03534	0.7
227.07036	6.4
228.07588	0.7
229.04903	0.9
235.07529	3.7
236.04744	0.6
237.05438	4.1
237.09045	0.8
238.06238	19.4
239.06938	5.0
240.04126	2.4
240.07817	11.8
240.09702	0.3
241.05093	3.1
241.08453	2.1
242.05620	1.8
242.09377	3.7
243.06651	0.6
250.06284	1.0
251.03354	1.3
251.06990	5.8
252.04355	0.9
252.07755	6.7
253.04935	3.7
253.08600	49.6
254.05728	1.6
254.09019	3.8
255.06551	5.6
255.10143	3.4
256.07224	1.3
257.04590	0.7
257.07678	0.7
257.11737	1.4
265.04965	3.9
266.05737	8.7
267.03421	0.8
267.06451	6.2
267.10107	2.1
268.03702	3.5
268.07291	9.8
269.04745	3.3
269.07697	3.1
270.05405	1.1
270.08844	5.3
271.05841	0.9
279.06250	1.4
280.07358	4.3
280.55463	0.5
281.08093	100.0
282.05374	1.0
282.08478	9.3
283.06049	7.6
283.09641	8.7
284.06656	3.5
284.09949	1.2
285.07559	2.8
285.11215	4.2
295.06067	0.7
296.03149	3.0
296.06781	4.8
297.04019	1.8
297.07556	6.8
298.08261	6.6
299.05344	1.6
299.09082	2.1
300.06186	1.3
300.09152	1.6
301.07239	0.7
308.29401	0.7
311.05710	2.9
311.09113	58.1
312.06161	0.6
312.09698	11.0
313.07037	4.9
313.10678	22.7
314.11172	1.6
315.11588	0.7
326.30478	1.7
328.05515	0.5
328.09286	8.3
343.07996	10.6
343.11740	41.1
343.33179	3.3
344.08441	1.6
344.12131	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1175
Annotation	3-(4-Methoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
52.00772	0.6
53.03930	0.8
55.01869	0.9
55.05511	1.2
57.03390	0.5
57.07063	0.9
59.55712	0.5
64.47552	0.7
67.05495	1.6
69.03424	0.9
69.29605	4.6
71.04985	1.2
79.05496	1.7
81.07024	1.8
91.05473	3.2
93.06506	0.6
93.07052	3.8
94.01824	0.6
95.04939	3.1
95.08629	4.1
105.07036	5.1
107.04955	1.1
107.08615	3.0
109.06503	1.2
115.05421	1.0
117.07010	2.2
119.08575	2.4
123.08038	1.4
128.06204	1.1
130.07834	1.2
131.08565	1.3
133.10114	1.1
135.08069	1.4
135.11700	1.0
139.05376	0.6
141.04819	0.6
141.06985	1.2
143.08508	1.6
144.78162	0.6
145.10126	5.3
147.08109	0.9
151.07518	3.1
152.06213	1.7
153.06996	2.2
154.07742	2.1
157.14357	0.8
159.11667	1.1
161.09618	1.0
163.11215	3.4
165.07013	8.5
165.09129	1.3
166.07713	2.0
167.08601	3.0
169.06511	1.9
169.10150	0.8
170.07237	0.7
171.08028	1.0
179.07172	0.7
179.08507	3.0
181.06532	4.7
182.07272	22.9
183.07950	2.5
184.05225	0.6
189.09044	0.7
189.12766	1.3
192.05685	1.0
193.06400	1.0
194.07243	2.2
195.04501	1.0
195.07986	3.9
196.08821	2.3
197.05980	2.3
197.09583	12.0
197.98660	0.7
198.06741	1.5
199.03922	2.0
199.07516	6.4
207.08052	1.3
208.05150	1.0
209.05942	2.8
209.13269	0.6
210.06763	27.4
210.08769	1.3
211.07481	5.7
212.08304	3.0
213.05525	1.3
213.09006	1.3
214.06119	1.4
220.05081	0.6
221.05922	2.0
221.15421	1.5
222.06808	3.0
223.03937	2.1
223.07492	3.9
224.04611	0.9
224.08379	3.0
225.05850	4.1
225.09090	49.7
226.06163	3.6
226.09450	3.9
227.07008	8.3
229.08603	0.8
235.07520	3.8
236.04750	1.2
236.08080	0.6
237.05470	3.7
237.09030	1.5
238.06250	21.4
239.07013	6.9
240.04178	0.8
240.07794	10.4
241.04900	1.5
241.08554	4.5
242.05746	3.3
242.09296	5.9
243.06369	0.8
250.06229	1.3
251.07077	5.5
252.04013	0.9
252.07788	8.5
253.04929	2.7
253.08595	44.1
254.05762	2.9
254.09093	4.4
255.06563	5.0
255.10164	3.9
256.07147	1.5
257.04449	1.2
257.08173	3.5
257.11633	1.8
265.04999	2.8
266.05774	7.2
267.06461	7.2
267.10065	2.1
268.07263	8.8
269.08032	5.7
270.05206	2.3
270.08798	5.7
271.06195	1.2
271.09518	1.1
279.06500	0.8
280.07373	4.4
281.08072	100.0
282.05429	1.4
282.08472	8.6
283.06033	3.6
283.09625	7.5
284.06589	2.3
284.10028	1.3
285.07407	7.6
285.11157	4.9
286.08099	1.0
295.05969	0.9
296.06760	2.9
297.07629	7.2
297.10837	1.2
298.05035	1.1
298.08310	6.1
299.08942	2.4
300.06287	1.8
300.09555	3.5
310.08337	1.1
311.09128	43.8
312.09830	14.3
312.13348	1.8
313.07016	10.2
313.10666	23.1
314.07541	0.9
314.11160	1.3
315.08560	2.3
315.12134	1.1
328.09320	18.6
328.12650	0.8
329.09625	1.5
343.08282	2.2
343.11664	55.7
343.15198	3.7
343.22766	4.5
344.12106	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1174
Annotation	2-(2,4-Dimethoxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
59.62034	0.4
61.95391	0.4
69.14865	1.3
69.15302	2.1
115.05449	0.5
128.06213	0.7
129.07053	0.4
139.05423	0.6
141.07011	0.6
152.06187	1.6
153.06944	1.6
154.07738	2.5
155.08525	0.8
156.05719	0.5
158.07326	0.4
165.06995	9.1
166.07770	2.8
167.04890	0.5
167.08537	2.8
168.05708	0.5
169.06497	1.3
170.07208	0.7
171.04343	0.5
171.08011	0.9
177.07010	0.5
178.07751	0.7
179.08556	3.1
180.05739	0.5
181.06464	4.2
182.07268	25.4
183.07895	1.8
184.05142	0.8
184.08820	0.7
185.05911	0.7
185.09615	0.7
186.06393	0.6
192.05710	1.0
193.06467	1.0
194.07230	1.7
195.04449	0.9
195.08051	4.6
196.08783	2.0
197.05949	2.4
197.09633	13.8
198.06631	1.5
198.10008	0.8
199.03848	1.9
199.07542	5.4
207.08026	1.5
208.05215	1.7
209.05992	2.6
210.06749	31.8
211.07411	4.1
212.04675	0.8
212.08301	2.7
213.05376	1.4
213.09041	1.4
214.06020	1.5
220.05162	1.3
221.05956	1.6
222.06741	3.7
223.03995	2.4
223.07497	6.2
224.04747	0.5
224.08365	2.7
225.05843	4.8
225.09088	60.1
226.06226	2.9
226.09489	4.2
227.06989	7.0
228.07440	0.7
229.08539	0.7
235.07486	4.0
236.04619	0.7
237.05418	3.8
237.09039	0.6
238.06235	24.1
239.06909	6.2
240.04080	0.9
240.07793	11.1
241.04941	1.6
241.08536	3.1
242.05652	2.7
242.09277	5.2
243.06447	0.7
244.06903	0.8
249.05463	0.4
250.06261	0.8
251.03273	0.7
251.07034	4.8
252.07800	7.8
253.05058	4.2
253.08589	49.9
254.05634	1.7
254.09029	3.9
255.02596	0.6
255.06496	5.6
255.10216	3.3
256.07010	1.7
257.04080	0.9
257.08051	1.3
257.11646	1.0
265.04938	3.4
265.08459	0.8
266.05713	8.8
267.06479	5.5
267.10114	1.9
268.07339	9.2
269.04614	0.5
269.08038	3.6
269.11481	0.4
270.05072	2.0
270.08844	5.8
271.06018	0.8
271.09177	0.9
272.06320	1.5
279.06577	0.6
280.07266	3.6
281.08066	100.0
282.05319	0.8
282.08511	7.7
283.02872	0.6
283.06097	2.6
283.09628	8.2
284.06598	1.2
284.09927	0.8
285.07489	4.1
285.11163	5.3
295.06082	1.1
296.06754	3.3
297.07538	6.7
297.10849	0.6
298.04337	2.0
298.08319	5.3
299.05365	1.2
299.08701	0.6
300.05847	5.1
300.09479	1.2
301.03003	0.7
301.06702	0.5
310.08551	0.6
311.09116	60.2
312.09775	12.7
312.13406	1.4
313.07016	5.1
313.10657	20.0
314.07379	1.6
314.11224	1.4
316.05359	0.5
328.05325	5.1
328.09351	6.1
328.13074	0.9
343.07693	14.3
343.11746	46.6
343.15054	1.8
344.07965	1.0
344.12097	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1178
Annotation	3',4',5,7-Tetramethoxyflavone
Peak:m/z	Relative Intensity
52.08392	0.7
52.82714	0.7
55.01863	1.0
67.05487	1.9
70.53111	0.9
70.53438	1.4
75.22325	0.7
75.97292	0.9
79.05467	1.0
81.07059	1.1
85.02924	0.7
91.05469	2.9
93.07056	1.8
95.08588	2.3
96.88416	0.7
97.06578	0.8
103.05468	1.4
105.07018	2.9
107.04983	1.8
107.08559	1.2
115.05441	1.8
117.07009	1.1
119.08646	0.8
121.06466	1.1
123.08047	2.7
127.05310	0.8
128.06113	0.9
129.07004	1.2
131.04933	1.0
131.08556	1.3
133.06514	1.4
133.10115	1.3
137.05989	10.5
141.06958	1.4
143.04913	1.4
145.06502	1.6
147.04382	1.3
147.08055	1.5
151.03906	3.9
151.07553	1.0
152.06223	1.5
153.06952	1.9
154.07791	1.9
155.08531	0.8
157.06555	0.8
157.10104	0.9
159.07971	1.1
161.06004	2.2
163.07513	1.4
165.06987	8.7
166.07747	2.8
167.07178	1.4
167.08556	3.3
169.06480	1.3
169.10242	1.1
171.04497	1.2
171.08165	1.5
173.09531	0.9
175.03912	0.8
175.07600	2.1
178.07813	1.3
179.08568	3.7
181.05034	1.3
181.06474	3.8
182.05635	1.3
182.07272	22.7
183.07840	2.2
191.06728	0.9
192.05727	1.2
193.06430	1.7
194.07297	2.0
195.08014	4.0
196.08958	1.0
197.05927	1.7
197.09604	10.8
198.06905	1.0
198.09891	1.0
199.03918	2.5
199.07541	5.1
207.08078	2.8
207.11714	0.8
208.05162	1.3
209.05954	2.2
210.06754	26.9
211.07445	3.3
212.08394	1.8
214.06293	2.2
219.86867	0.8
220.05234	1.5
221.06004	1.9
222.06717	3.7
223.03902	2.4
223.07533	4.3
224.08264	2.9
225.05479	2.7
225.09111	53.1
226.06299	1.9
226.09453	4.1
227.07039	6.8
235.07565	3.2
235.60712	0.8
237.05486	3.4
237.09056	1.2
238.06242	21.5
239.07043	4.6
240.07799	7.6
241.05054	1.4
241.08446	3.1
242.05801	1.9
242.09273	3.3
251.07054	5.0
252.07866	7.8
253.04935	2.5
253.08620	44.6
254.06186	0.8
254.08989	3.9
255.06534	4.8
255.10220	2.9
256.07193	0.9
257.08066	1.4
259.06250	0.9
265.05014	2.0
265.08609	2.1
266.05704	7.2
267.06534	4.2
267.09891	1.6
268.07343	8.3
269.08090	3.2
269.15491	1.5
270.08899	4.9
279.06766	1.1
280.07263	2.7
281.08093	100.0
282.08594	8.4
283.06207	2.3
283.09668	9.2
284.10187	1.1
285.07544	3.3
285.11230	6.1
293.08295	1.0
293.11581	1.0
296.06876	2.7
297.07596	6.4
297.11374	1.6
297.14664	5.0
298.08313	5.1
299.08847	1.0
311.09167	43.6
311.12640	2.3
312.09747	7.7
313.07056	4.9
313.10718	20.2
313.13751	0.6
314.11105	1.8
315.15839	1.6
325.14331	1.5
328.09393	10.4
343.08365	1.6
343.11761	43.2
343.15268	3.0
344.12149	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1176
Annotation	3-(4-Methoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
55.05487	0.8
63.02723	0.5
67.05469	1.8
69.36800	3.9
70.64555	0.6
76.94557	0.7
81.03409	1.0
81.07014	0.8
91.05434	1.2
93.06983	2.4
93.07533	0.8
95.08569	2.3
105.06988	2.2
107.04925	1.0
107.08595	3.9
109.10170	3.9
117.07027	0.6
119.08527	2.9
121.10089	2.7
133.10118	2.2
135.07996	0.9
139.05458	0.8
141.06969	1.0
143.08525	0.8
145.10104	1.4
147.11679	1.6
152.06174	2.1
153.06946	1.9
154.07736	2.1
155.08505	1.1
159.11708	0.9
165.07013	7.9
166.07761	3.4
167.08507	3.0
168.05698	1.3
168.92961	0.7
169.06476	2.4
170.07253	1.6
171.07964	1.1
171.64943	0.7
178.07829	1.0
179.08517	3.3
181.06471	5.4
182.07278	21.0
183.07884	2.2
184.05249	1.3
184.08745	0.7
185.06084	1.2
185.09549	1.1
193.06482	1.1
193.10214	0.7
194.07347	1.2
195.04356	0.9
195.08073	4.6
196.08734	1.9
197.05914	2.5
197.09634	12.2
198.06705	2.3
198.10074	0.6
199.03870	2.1
199.07510	6.7
207.08119	1.9
208.05164	1.3
209.06001	3.1
209.09628	0.9
210.06761	28.4
211.07442	4.5
212.04779	0.7
212.08363	3.3
213.05447	2.5
213.09070	6.3
214.06136	1.1
220.05209	0.8
221.05949	1.6
222.06743	4.0
223.03911	2.9
223.07521	6.9
224.08310	3.9
225.05763	6.1
225.09088	52.1
226.06198	3.6
226.09496	2.7
227.06973	7.4
229.08662	0.8
235.07495	2.8
236.04604	0.9
237.05409	4.4
237.09042	0.9
238.06252	22.8
239.07047	6.0
240.04048	1.0
240.07817	10.0
241.04918	2.5
241.08505	5.8
242.05693	2.2
242.09302	3.9
247.14632	0.7
250.06194	1.7
251.07050	7.0
252.07825	6.8
253.04955	5.7
253.08585	45.7
254.05739	6.5
254.09012	4.6
255.06500	5.2
255.10124	3.5
256.07205	1.4
257.07965	1.1
257.11578	1.5
265.04922	2.4
266.05722	8.2
267.06458	6.3
267.10153	2.2
268.04288	1.1
268.07294	10.3
269.08014	9.6
270.05142	3.4
270.08755	6.2
272.11844	0.7
279.06464	2.4
280.07394	3.9
281.08075	100.0
282.05176	2.2
282.08527	9.2
283.06070	4.2
283.09659	9.5
284.06674	1.1
284.10052	0.7
285.07495	5.0
285.11221	6.1
295.05951	1.9
296.06741	5.2
297.07584	26.8
297.11038	1.3
298.08252	8.1
299.05594	0.9
299.08871	1.3
301.15735	1.0
311.09128	66.4
312.09848	47.5
312.12930	1.2
313.07043	6.6
313.10660	22.8
314.11078	0.9
325.14334	0.8
328.09317	10.6
328.12964	1.3
328.17770	0.8
329.18973	1.0
343.11731	69.0
343.20010	4.2
343.26294	1.8
344.12106	5.7
344.20901	0.9
352.66516	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1178
Annotation	4',5,6,7-Tetramethoxyflavone
Peak:m/z	Relative Intensity
53.19957	1.3
53.36674	1.3
53.37709	1.4
57.07062	1.4
67.05493	2.2
69.07066	2.3
70.06581	1.7
71.31588	1.5
75.53644	1.4
77.78765	1.2
81.07047	2.9
88.07635	8.1
95.08615	2.6
105.07037	2.5
106.08685	2.0
107.08576	2.2
117.07031	1.3
119.08558	1.5
125.86927	1.3
132.74202	1.6
141.06976	2.4
145.10083	2.2
152.06238	2.7
153.06996	3.3
154.07841	3.3
165.06993	11.5
166.07695	4.0
167.08545	4.3
168.05605	2.4
169.06464	4.4
171.08060	3.2
178.07843	1.4
179.08510	2.9
181.06491	6.6
182.07277	21.0
183.07961	3.8
185.09502	1.6
192.05629	2.1
193.06522	2.1
194.07306	1.9
195.08069	4.3
196.08786	2.1
197.05878	6.9
197.09633	12.2
198.06728	2.6
199.03796	1.8
199.07492	10.4
207.08128	2.1
209.05972	5.1
210.06746	30.1
211.07515	8.8
212.08307	4.6
213.05389	1.8
213.08954	1.9
214.06224	2.6
222.06798	2.9
223.03841	1.9
223.07564	7.5
224.08224	4.7
225.05783	8.0
225.09100	47.4
226.06140	5.7
226.09682	3.3
227.06973	10.4
227.10674	2.3
235.07635	2.6
237.05458	6.5
238.06218	19.6
239.07025	12.9
240.07762	12.5
240.23206	2.8
241.08519	5.7
242.05602	3.4
242.09341	5.3
251.06938	5.6
252.07800	8.0
253.04913	4.5
253.08592	41.8
254.05870	7.9
254.09105	5.9
255.06535	17.1
255.10114	5.1
256.07013	2.0
257.07971	4.1
265.05078	3.3
266.05817	9.2
267.06473	9.1
267.10043	2.3
268.07324	17.0
269.08105	19.0
270.05081	3.8
270.08762	13.6
280.07211	3.3
281.08075	95.8
282.05106	3.9
282.08548	8.1
283.05975	8.8
283.09570	12.5
284.06650	2.3
284.10382	5.1
285.07520	12.0
285.11139	8.9
295.06009	1.6
296.06750	5.3
297.07568	39.5
297.10873	1.6
298.05023	2.0
298.08249	12.3
299.09055	2.2
311.09119	51.7
311.12756	2.5
312.06470	1.5
312.09863	40.8
312.13495	3.2
313.06992	25.8
313.10623	29.5
314.07492	1.6
314.11002	2.3
315.12253	1.6
328.09399	62.8
328.12903	4.3
329.09595	4.4
342.37354	2.2
343.11676	100.0
343.22525	2.5
344.12027	6.5
344.31482	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1235
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
53.10357	4.4
61.02921	30.0
63.94984	4.4
69.03424	12.7
70.06586	6.4
71.29102	4.6
73.02912	8.5
77.66486	4.0
79.40689	4.1
81.03415	11.9
84.08147	6.7
84.71873	3.9
85.02905	66.0
91.03954	30.8
91.05833	4.6
93.03419	8.8
97.02893	23.5
109.02877	9.9
127.03912	18.4
144.99800	4.6
145.04979	22.0
153.03947	6.9
153.06625	8.7
163.06032	17.7
165.06760	4.6
165.89041	4.3
169.03481	13.8
171.05049	10.7
173.07698	11.3
179.01903	11.1
189.11929	6.0
195.01456	6.4
197.02858	80.3
198.03127	5.0
198.98520	9.9
214.85004	6.0
215.04015	49.4
215.09843	9.7
216.04022	5.5
225.06912	20.6
233.05098	21.3
265.01923	9.1
269.05963	10.4
270.97021	8.4
280.07230	7.1
283.03015	9.9
301.04016	6.0
311.02478	32.0
326.08032	19.3
329.03491	57.4
343.05099	7.2
343.09839	5.0
344.09076	100.0
361.06000	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10357	4.4
61.02921	30.0
63.94984	4.4
69.03424	12.7
70.06586	6.4
71.29102	4.6
73.02912	8.5
77.66486	4.0
79.40689	4.1
81.03415	11.9
84.08147	6.7
84.71873	3.9
85.02905	66.0
91.03954	30.8
91.05833	4.6
93.03419	8.8
97.02893	23.5
109.02877	9.9
127.03912	18.4
144.99800	4.6
145.04979	22.0
153.03947	6.9
153.06625	8.7
163.06032	17.7
165.06760	4.6
165.89041	4.3
169.03481	13.8
171.05049	10.7
173.07698	11.3
179.01903	11.1
189.11929	6.0
195.01456	6.4
197.02858	80.3
198.03127	5.0
198.98520	9.9
214.85004	6.0
215.04015	49.4
215.09843	9.7
216.04022	5.5
225.06912	20.6
233.05098	21.3
265.01923	9.1
269.05963	10.4
270.97021	8.4
280.07230	7.1
283.03015	9.9
301.04016	6.0
311.02478	32.0
326.08032	19.3
329.03491	57.4
343.05099	7.2
343.09839	5.0
344.09076	100.0
361.06000	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01657	0.2
69.00797	0.5
69.01201	2.0
69.03442	0.3
70.06585	0.6
74.81825	0.2
81.03385	0.3
85.02908	0.9
91.05473	0.8
98.22625	0.5
103.55142	0.3
115.05448	0.2
119.04976	0.9
123.04400	0.3
127.03946	0.4
131.04950	0.3
132.63164	0.2
147.04420	4.9
163.03966	0.3
165.05495	2.2
179.03365	0.6
180.03658	0.2
181.04919	1.2
181.08409	1.7
185.04263	0.4
203.05235	0.3
250.24274	0.3
288.39307	0.2
343.13647	100.0
344.09796	0.4
344.13950	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1539
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
52.19418	1.5
55.01900	1.7
56.30815	1.5
57.03429	2.2
67.05505	1.9
69.03645	13.6
79.05478	3.6
81.07055	1.7
91.05467	7.8
93.07030	2.2
94.04179	2.8
95.05006	2.1
98.23369	2.9
100.66042	1.6
103.05476	9.3
105.07031	9.2
107.04959	7.5
109.06531	2.9
115.05444	9.7
117.07021	4.9
118.04132	2.4
119.04944	4.7
119.08535	2.6
122.03650	2.3
123.04424	10.1
128.06233	2.2
129.07030	2.7
131.04909	12.8
131.08612	2.0
132.05765	2.8
133.06485	7.6
135.04422	6.9
137.05978	41.3
141.06985	7.3
143.04988	2.0
145.06514	4.9
146.03642	15.8
147.04335	3.7
147.08022	3.9
149.05974	6.4
151.03917	5.3
151.07567	19.2
153.05542	2.0
157.06471	3.6
160.05209	5.9
161.05980	100.0
162.06415	5.7
163.07556	14.2
165.07042	4.2
165.09059	2.2
166.07808	3.2
167.07011	3.6
169.06508	8.6
174.06708	1.9
175.07547	84.3
176.07968	4.9
177.05544	1.6
177.06987	3.8
177.09094	13.7
178.07722	2.2
179.08546	4.5
181.05026	2.4
181.06462	4.0
189.09145	6.3
190.07805	7.0
191.08482	2.4
193.08524	3.6
194.07239	6.2
195.08052	6.1
197.06009	1.7
197.09651	2.3
199.07581	2.2
201.09125	7.5
202.07788	2.8
203.08585	3.7
205.06528	5.2
205.10158	6.3
206.07152	2.1
207.08083	8.6
208.08800	2.1
209.06049	2.8
209.09677	4.0
211.07506	4.4
215.08594	2.7
218.07281	4.8
219.08160	3.2
219.10205	10.9
220.05054	1.7
221.06006	6.8
221.09535	3.0
222.06770	6.5
222.10341	2.1
223.07451	3.2
224.08368	7.4
225.08980	3.0
226.06236	2.7
232.08801	4.5
233.06041	3.6
233.09604	14.5
234.06667	4.7
234.10324	3.4
235.07513	10.4
236.08313	4.0
237.05441	5.5
237.09108	11.3
238.06194	2.3
238.09639	2.8
239.06958	3.7
239.10712	5.8
241.08640	4.8
247.07497	1.7
249.09212	4.0
250.06190	6.2
250.09924	6.8
251.07086	5.8
251.10609	3.4
252.07895	3.0
253.08603	4.4
254.09258	3.6
255.10152	2.7
261.09116	10.2
262.09808	3.4
263.07034	5.9
264.07712	4.9
265.08600	27.6
265.12189	9.3
266.09158	3.6
267.10181	13.5
269.08063	14.7
270.08359	1.8
277.08597	3.0
278.09354	7.0
279.10141	2.2
281.08154	3.4
282.08838	5.2
283.09778	3.8
283.13232	3.7
284.10327	7.7
293.11694	21.9
294.12317	4.9
295.09567	5.1
297.11182	41.3
298.11679	3.9
299.12790	57.1
300.13181	4.9
310.11972	4.2
311.12759	43.8
312.13245	4.7
325.10822	3.1
325.14331	17.4
326.14532	2.4
328.12653	3.0
343.11768	4.5
343.15335	49.6
344.15674	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94175	0.4
67.05496	0.6
69.03419	0.5
69.03617	0.9
69.04026	2.8
79.05489	1.2
91.05485	3.8
93.07048	0.6
94.04281	0.4
95.04982	1.1
95.08624	0.5
98.22645	0.9
103.05466	1.6
105.03413	0.5
105.07012	1.7
107.04925	1.3
110.10133	0.5
111.04431	1.1
115.05470	1.0
116.06276	0.8
117.07027	1.3
119.04914	1.1
119.08664	0.5
121.06493	0.8
122.03651	0.9
123.04443	7.0
128.06233	1.1
129.07001	1.2
131.04912	1.7
131.08566	6.0
133.06473	0.9
135.04431	4.5
135.08041	1.0
137.05994	12.3
138.06319	0.5
141.06989	1.9
144.05688	1.3
145.06450	2.2
147.04411	0.8
147.08038	0.9
148.05251	0.4
149.05963	1.3
149.09506	0.5
151.03941	2.3
151.07541	6.6
155.08546	0.4
157.06543	1.2
158.07277	0.8
159.08063	17.3
160.05196	0.6
160.08528	0.6
161.05981	6.8
161.09604	1.2
162.06728	1.2
163.07555	1.6
165.06961	0.6
166.07719	0.6
167.03441	0.6
167.07030	1.4
169.06500	2.5
170.47775	0.4
171.08138	0.5
173.05995	0.5
173.09583	0.9
174.06744	1.1
175.07600	1.8
175.49667	0.4
176.08334	2.9
177.05426	0.9
177.09117	4.3
179.08540	0.5
181.06554	0.7
181.08478	0.6
184.25119	0.4
185.05957	0.4
186.06808	1.4
187.07527	5.8
188.08334	4.0
189.05476	8.1
189.09106	2.2
191.10674	7.4
195.08228	0.4
201.09105	2.9
203.07011	0.4
204.07826	44.6
205.08200	2.5
209.05913	0.5
209.09634	0.4
211.07515	0.8
215.10524	0.4
217.08611	0.5
219.10173	100.0
220.10503	4.4
223.07582	0.4
237.09004	0.7
239.07057	0.4
251.07048	0.5
251.10802	0.5
253.08557	0.8
255.10193	0.9
265.08423	0.4
267.06714	0.7
268.07217	0.5
283.09781	1.0
293.11646	1.0
297.11182	1.3
297.14774	0.6
311.09100	1.5
311.12717	1.0
315.12158	0.5
325.14142	1.3
343.11673	3.6
343.15436	4.3
358.35071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1539
Annotation	Arisantetralone A
Peak:m/z	Relative Intensity
53.03938	2.4
55.01862	2.4
64.86375	1.3
65.03932	1.5
69.61375	2.7
69.61784	5.6
79.05503	6.9
81.03428	1.5
91.05492	18.1
93.07005	2.4
94.04153	2.0
95.04964	2.5
98.22669	2.3
102.04696	4.6
103.05465	24.0
105.03409	2.9
105.07038	13.4
106.04195	5.1
107.04955	31.9
107.08577	2.7
109.06546	2.6
115.05453	12.9
117.07016	5.6
119.04948	4.5
121.06490	4.0
122.03661	7.2
122.07307	7.7
123.04453	1.4
129.06956	2.1
130.04124	8.5
130.90315	1.4
131.04907	18.4
132.05705	1.7
133.06479	10.4
135.08040	9.5
137.05975	83.6
138.06314	4.5
141.06953	4.1
143.04895	1.8
145.06480	3.5
146.03627	10.1
146.07288	1.6
147.04414	12.5
147.08055	5.7
149.05997	8.2
151.03954	2.8
151.07507	10.3
151.64975	1.5
153.05521	4.1
156.72934	1.5
159.07854	1.4
160.05196	2.8
161.05980	69.6
161.09592	1.6
162.06769	24.4
162.52049	1.4
163.07547	41.1
165.06947	4.1
166.07729	1.8
169.06470	6.1
173.87808	1.8
174.06747	3.2
175.07544	58.4
176.07938	2.3
177.05566	1.6
177.06999	2.1
177.09106	11.5
178.07770	2.8
179.08510	5.0
179.10576	1.5
181.06558	1.8
181.08589	9.9
187.07570	1.9
189.06984	2.5
189.09093	3.1
190.07782	7.4
191.03258	2.1
191.08673	2.6
193.06659	1.9
193.08601	4.4
194.07320	6.1
195.08107	1.8
196.09039	1.8
201.09105	4.8
202.07776	2.2
203.08575	2.5
205.06493	6.1
205.10019	6.9
206.07173	2.3
207.08005	8.2
209.06035	2.4
209.09593	4.4
211.07506	2.4
215.08609	2.5
218.07274	6.8
219.08188	3.1
219.10143	15.4
220.10680	1.6
221.05978	5.2
221.09578	4.8
222.06793	7.4
222.10362	2.6
223.07492	3.4
224.08270	5.2
225.09138	2.6
232.08849	2.1
233.05984	4.5
233.09602	17.8
234.06744	3.2
234.10191	2.6
235.07565	8.7
236.08231	3.6
237.05455	2.3
237.09067	12.5
237.12758	2.2
238.09810	1.7
239.07118	2.6
239.10468	1.7
241.08586	2.9
249.05392	2.5
249.09081	4.6
250.06265	5.9
250.09846	6.2
251.06975	5.3
251.10580	2.2
252.07768	3.3
253.08545	3.7
254.09325	4.0
259.99945	1.4
261.09073	11.2
262.09909	1.5
263.06976	3.2
264.07919	4.3
265.08609	25.6
265.12173	8.5
266.09113	5.1
267.06998	1.6
267.10153	13.2
269.08072	13.1
269.10977	2.4
277.08636	1.6
278.09335	4.3
279.10098	3.6
281.07959	3.3
281.11526	2.3
282.08810	6.7
283.09662	2.8
284.10419	9.0
284.13092	1.6
293.11765	18.1
294.12354	3.5
295.09695	4.0
296.10449	2.4
297.11276	41.3
297.14810	6.2
298.11548	4.6
299.12775	43.2
300.13013	2.6
310.11911	4.6
311.12747	100.0
312.12994	9.2
313.14407	3.4
325.14322	23.8
326.14749	2.4
343.11288	3.5
343.15274	42.4
344.15683	4.3
352.25873	1.6
359.46326	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1538
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
53.93365	0.6
55.01881	1.2
55.51192	0.6
67.05500	1.0
70.85536	0.8
70.85884	0.6
77.03945	0.6
79.05504	2.9
79.82542	0.5
81.07032	1.5
81.30854	0.6
84.14551	0.5
85.02897	1.8
89.03962	0.6
91.05491	5.4
93.07005	1.2
94.04151	1.4
95.04974	1.0
99.62076	0.8
100.11268	1.0
103.05465	11.8
105.07028	10.2
107.04951	5.4
109.06490	1.9
115.05448	8.1
117.03358	1.1
117.07001	2.9
118.04079	0.9
119.04911	1.6
121.02779	0.7
121.06494	0.9
122.03654	5.5
123.04391	1.2
123.08083	0.7
128.06200	1.7
129.06958	2.0
130.04128	1.0
131.03983	1.2
131.04926	15.8
131.08540	0.9
132.05736	1.4
133.06494	6.1
135.04329	0.7
135.08070	1.7
136.05197	0.6
137.05969	57.9
138.06325	1.5
141.06995	3.7
143.04906	1.2
143.05983	0.7
144.05673	1.1
145.06471	2.7
145.10077	0.8
146.03625	16.2
147.04353	2.6
147.08022	2.7
149.05981	4.1
151.03923	4.8
151.07549	11.7
153.06931	1.2
155.04823	0.6
157.06491	1.5
158.07214	2.1
159.08112	1.0
160.05136	3.1
161.05972	100.0
162.02103	0.9
162.06314	4.6
163.07535	27.5
163.11180	0.7
165.07024	4.2
165.09123	2.6
166.07794	3.1
167.06952	0.6
167.08452	0.8
169.06491	4.8
170.07228	0.7
172.05165	0.6
173.09662	0.9
174.06804	2.0
175.07538	64.2
176.06319	0.7
176.07874	2.9
177.05453	3.3
177.06990	2.1
177.09076	7.1
178.07767	2.6
179.08557	6.9
181.06447	4.7
181.08528	1.6
181.10088	1.2
183.08054	1.0
186.06770	1.4
187.07513	2.1
189.07094	3.0
189.09108	2.3
190.07773	5.4
191.03374	5.9
191.08528	2.5
191.10628	0.6
192.05609	0.6
193.06485	2.2
193.08559	2.5
193.10141	0.9
194.07239	8.1
195.08061	3.2
196.08725	1.2
201.09108	6.9
202.07784	1.7
203.08505	2.2
204.09265	2.2
205.06544	7.3
205.10124	9.9
206.07227	2.2
207.08040	9.4
208.08752	2.1
209.05956	2.6
209.09572	3.1
210.06725	1.2
211.07582	2.5
212.08154	0.8
213.09033	0.9
215.08601	3.3
217.06522	0.8
218.07281	6.5
219.07988	3.5
219.10158	12.7
219.12143	0.9
220.08737	1.0
221.06010	6.6
221.09595	4.1
222.06735	9.8
222.10385	2.2
223.07539	3.6
224.08298	7.2
225.09050	2.6
226.06097	1.0
226.09906	0.8
231.08089	1.2
232.08719	4.0
233.06064	5.1
233.09593	17.3
234.06773	3.8
234.10304	3.2
235.07529	13.1
236.08243	4.3
237.05505	4.9
237.09076	14.5
237.12714	0.9
238.06039	1.5
238.09769	1.1
239.07097	3.2
239.10640	4.3
240.07655	0.9
241.08508	3.6
243.08029	0.8
246.06750	1.3
247.07526	2.4
248.08363	0.8
249.05397	2.7
249.09099	4.4
250.06230	10.3
250.09877	7.1
251.07014	4.1
251.10666	3.1
252.07848	5.3
253.08582	4.1
254.05721	0.9
254.09341	2.3
255.10063	0.9
257.08124	0.8
260.08362	1.8
261.09091	13.1
262.09760	3.8
263.07007	5.4
263.10483	1.0
264.07800	5.8
265.08591	31.4
265.12177	8.7
266.09113	3.7
266.12216	0.8
267.07098	0.8
267.10153	12.3
268.10669	1.6
269.08041	10.8
269.11459	0.8
269.11957	0.7
270.08569	1.0
275.10605	1.4
277.08527	2.9
278.09375	7.8
279.10129	4.9
281.08099	2.8
281.11755	1.1
282.08823	5.2
283.09644	2.5
283.13263	2.8
284.10440	8.2
293.11697	26.8
294.12286	4.1
295.09598	5.0
296.10364	2.4
297.11209	35.1
297.14450	1.3
298.11655	2.9
299.09998	0.9
299.12756	39.2
300.13129	3.2
310.12009	5.8
311.12747	58.1
312.13168	4.8
313.10571	1.0
325.10477	1.1
325.14313	20.0
326.14716	1.3
328.12817	1.4
343.08356	1.6
343.15372	51.8
344.15723	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1539
Annotation	Arisantetralone A
Peak:m/z	Relative Intensity
50.86280	0.5
51.02362	0.6
55.01860	1.7
64.45216	0.6
65.92609	0.5
67.05493	0.6
69.21513	1.4
69.21929	3.0
79.05497	3.0
81.03429	0.6
81.07053	1.1
91.05476	7.7
92.05765	0.6
93.07051	1.1
94.04194	2.2
95.04955	1.8
102.04617	0.6
103.05466	14.9
105.07027	11.5
107.04957	6.2
109.02856	0.6
109.06523	2.5
115.05444	7.2
117.03378	0.8
117.07030	4.4
118.04152	1.9
119.04960	2.6
119.08579	0.8
120.73505	0.6
121.06496	2.1
122.03660	5.4
123.04426	2.4
123.08086	0.6
124.05197	0.6
128.06241	1.6
129.07002	5.3
130.04129	1.2
131.04924	17.8
131.08539	1.0
132.05714	1.9
133.06485	6.6
135.04419	1.1
135.08099	0.9
136.05180	0.9
137.05972	66.6
138.06306	2.1
141.07007	5.1
143.04913	1.3
143.06050	0.7
143.08470	0.7
143.49586	0.6
144.05719	0.7
145.06535	3.2
146.03624	16.6
147.04398	3.4
147.08026	3.2
148.05170	1.0
149.02332	0.7
149.05966	5.8
151.03925	3.1
151.04903	0.5
151.07536	11.6
153.05484	2.6
153.06970	1.5
157.06509	4.5
158.07292	2.0
159.08067	1.3
160.05171	3.8
161.05975	100.0
162.06366	4.0
163.03931	1.0
163.07541	30.5
164.07925	1.4
165.05624	0.7
165.06999	3.2
165.09148	1.0
166.07759	2.4
167.07097	1.2
167.08530	1.1
168.09264	0.6
169.06442	5.5
170.07233	0.8
172.05147	0.8
173.05972	1.1
173.09605	1.3
174.06763	7.0
175.07542	66.1
176.06351	0.9
176.07944	1.8
177.05466	2.8
177.07018	1.9
177.09093	6.3
178.07808	3.6
179.03365	0.9
179.08562	6.4
181.04924	0.9
181.06490	4.2
181.08603	1.3
181.10120	0.8
183.08073	1.1
186.06764	1.9
187.07553	1.5
189.05553	0.6
189.07022	2.5
189.09116	9.7
190.07771	6.1
191.03384	9.1
191.08607	2.9
192.03949	0.7
193.04950	0.9
193.06554	1.9
193.08589	2.4
193.10088	0.9
194.07259	9.7
195.08047	3.7
196.05243	0.6
196.08839	2.7
197.05954	0.7
197.09651	0.9
201.09090	6.4
202.07738	1.3
203.08540	2.9
204.09315	1.7
205.06511	8.3
205.08340	1.3
205.10136	9.2
206.07259	2.1
206.10547	0.7
207.08054	9.0
208.08665	1.7
209.06047	3.0
209.09552	3.3
210.06752	1.1
211.07568	3.1
213.08998	0.6
215.08595	4.6
216.09120	0.7
218.07263	6.4
219.08012	3.4
219.10164	11.8
220.08647	1.0
220.10582	1.2
221.06033	7.5
221.09538	3.6
222.06763	8.9
222.10352	2.2
223.07506	4.8
223.11055	0.8
224.08299	5.6
225.09045	2.7
226.06100	0.9
226.09892	0.8
231.08055	1.6
232.08835	3.0
233.06085	4.4
233.09595	17.6
234.06804	4.1
234.10266	4.1
235.07510	13.0
236.08257	4.4
237.05553	4.3
237.09117	16.6
237.12645	0.7
238.06137	1.4
238.09790	2.2
239.07013	3.3
239.10693	5.1
241.08556	4.7
243.08205	0.9
245.09648	0.8
246.06767	1.1
247.07565	2.3
248.08130	0.9
249.05406	2.6
249.09148	4.6
250.06256	11.7
250.09880	8.3
251.07043	5.6
251.10539	3.1
252.07799	5.0
253.08583	4.7
254.05792	0.8
254.09302	2.7
255.10182	0.9
259.83588	0.6
260.08365	1.3
261.09073	12.6
262.09711	3.2
263.07025	4.8
263.10437	0.9
264.07825	5.2
264.11310	1.4
265.08597	35.9
265.12207	9.3
266.09146	3.7
266.12308	1.1
267.06802	0.9
267.10168	12.5
268.07401	0.8
268.10709	1.9
269.08109	11.9
269.11331	1.0
270.08609	1.2
275.10587	0.7
277.08527	3.2
278.09344	8.7
279.10135	4.0
281.08051	2.9
281.11661	2.3
282.08838	5.2
282.11908	0.8
283.09592	3.5
283.13306	2.5
284.10422	8.6
285.10800	0.9
293.11688	25.5
294.12244	3.2
295.09674	5.0
295.12738	0.9
296.10352	2.3
297.11206	35.6
298.11603	1.9
299.12769	37.2
300.13168	2.7
310.12003	5.3
311.12759	53.2
312.13217	5.7
313.10767	1.4
313.14304	12.9
314.14728	1.1
325.10754	0.9
325.14322	18.3
326.14648	1.0
328.12653	1.2
343.08191	2.3
343.15384	45.9
344.15710	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1539
Annotation	2'-epi-Guianin
Peak:m/z	Relative Intensity
53.23501	0.5
53.35522	0.5
54.62169	0.5
55.01871	1.3
59.78852	0.6
62.75454	0.7
65.03928	0.9
67.05506	0.9
69.08278	4.7
69.08669	1.4
79.05508	3.0
81.07044	1.0
82.13277	0.6
85.02883	1.5
88.95455	0.6
91.05484	4.5
93.07056	1.1
94.04152	2.9
95.05000	0.8
102.04712	1.1
103.05473	6.7
103.97842	0.5
105.07013	4.7
105.32375	0.6
106.50142	0.6
107.04946	14.4
108.96000	0.6
109.06532	1.4
115.05450	3.5
117.07011	2.0
119.04944	1.4
120.32318	0.6
121.06504	1.7
122.03645	8.6
128.06183	0.7
129.07014	1.0
130.04137	1.7
131.04932	7.3
132.05783	0.7
133.06511	3.8
135.04358	1.0
135.08051	2.5
137.05978	100.0
138.06349	4.2
141.06990	2.5
143.04916	0.8
144.05649	0.8
145.06490	2.6
146.03616	3.3
147.04419	3.7
147.08072	1.8
149.05983	4.4
151.03918	1.7
151.07547	6.5
153.06947	0.6
160.05188	1.1
161.05983	23.0
161.09619	1.1
162.06758	6.6
163.07556	16.8
165.06990	1.1
165.09151	1.7
166.07780	2.2
167.07034	3.3
167.08372	0.8
169.06506	2.6
173.06064	1.0
173.09615	1.1
174.06764	1.0
175.07561	14.8
176.07918	0.8
177.05476	2.7
177.06947	1.0
177.09126	2.7
178.07744	0.9
179.08586	2.0
181.06682	1.3
181.08517	4.1
183.08080	0.9
187.07576	1.7
189.06926	1.5
190.07799	1.3
193.06544	0.7
193.08574	1.0
194.07259	3.1
195.08034	2.3
201.09047	3.6
203.08636	1.4
204.09477	0.8
205.06601	3.0
205.10182	4.1
207.08073	2.7
208.08733	0.8
209.05942	1.0
209.09576	1.9
211.07558	2.8
213.09126	0.6
215.08627	0.9
218.07251	1.8
219.08179	1.2
219.10155	3.6
221.06073	3.2
221.09596	1.7
222.06773	4.1
222.10307	1.3
223.07559	1.9
223.10555	0.7
224.08310	1.9
225.09097	0.9
231.07883	0.7
233.06041	2.0
233.09615	5.3
234.06839	1.2
234.10205	1.1
235.07520	4.0
236.08429	1.0
237.05400	1.1
237.09074	5.3
237.12651	0.6
239.07057	1.8
239.10649	1.6
241.08583	1.2
249.05444	0.6
249.08980	1.3
250.06177	1.8
250.09872	2.8
251.06963	2.4
251.10741	1.4
252.07852	1.4
253.08601	1.9
254.09384	2.5
261.09128	3.7
262.09763	0.9
263.06909	1.1
264.07666	1.8
265.08621	7.6
265.12015	4.0
266.09271	1.8
266.12393	0.6
267.06833	0.7
267.10123	4.7
268.10733	1.0
269.08127	4.6
269.11002	0.8
277.08771	0.9
278.09302	2.0
279.10092	2.6
281.08136	1.7
282.08905	4.9
283.09479	1.2
284.10443	3.6
293.11707	12.7
293.23233	0.7
294.12411	4.7
295.09619	2.6
296.10226	0.9
297.11230	36.0
297.14740	2.5
298.11481	2.1
299.12769	16.0
300.13177	1.4
310.11844	4.0
311.12726	11.7
312.13391	1.1
325.14355	19.3
326.14520	1.9
343.15549	17.8
344.15735	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.154
Annotation	Drypetenone C
Peak:m/z	Relative Intensity
52.84653	0.3
58.01514	0.2
65.03956	0.4
69.40742	1.3
69.41143	0.6
70.44747	0.3
81.03419	0.3
81.07054	0.3
91.05474	2.3
93.07017	0.3
98.22689	0.5
103.05465	0.3
105.07039	0.5
106.41447	0.3
107.04936	0.5
111.04408	0.3
115.05444	0.6
117.06997	0.4
119.04913	0.9
121.06496	0.4
121.10176	0.3
128.06207	0.4
129.06987	0.6
131.04916	0.4
131.08569	4.6
133.06482	0.4
133.10074	0.3
137.05965	2.0
141.07002	1.4
144.05663	0.7
145.06439	0.7
147.04427	0.3
151.03923	2.1
151.07486	1.5
158.07271	0.9
159.08051	16.4
160.08492	0.6
161.05983	5.1
161.09618	0.8
162.06650	0.8
163.07503	0.4
163.11113	0.4
165.06851	0.3
169.06500	2.7
173.05907	0.3
173.09740	0.4
174.06754	0.3
175.07536	1.1
176.08318	2.6
177.09096	2.3
181.06535	0.3
186.06757	0.8
187.05861	0.2
187.07527	5.0
188.08295	3.5
189.05461	7.6
191.10661	8.7
197.05956	0.3
201.09091	1.7
203.07031	0.4
204.07814	46.0
205.08188	2.2
210.06850	0.3
212.04642	0.6
213.05493	0.9
214.06171	0.4
219.10161	100.0
220.08517	0.4
220.10498	5.4
223.04027	0.3
225.05467	0.4
225.09096	0.5
227.06938	0.7
238.06273	0.5
240.04219	0.9
241.04872	0.9
241.08607	0.3
252.04259	0.4
253.04912	0.6
253.08609	1.0
254.05873	0.4
255.06430	0.5
256.07001	0.3
257.08078	0.4
267.06555	0.6
267.09933	0.3
268.03690	1.8
268.07355	0.7
269.04379	1.6
269.07718	0.4
270.04913	0.3
279.06497	0.3
281.08112	1.6
282.05075	0.4
283.05963	1.8
283.09079	0.5
284.06775	1.5
284.09732	0.3
285.07568	1.2
296.03296	1.5
297.03958	0.6
297.11224	0.8
299.05505	0.5
299.09067	0.8
301.07101	0.3
311.05466	1.7
311.09164	1.7
311.12646	0.7
312.06335	3.3
312.09753	0.6
313.06921	1.0
313.10684	0.8
314.07556	0.4
315.08524	0.5
325.06686	0.4
328.09598	0.3
343.08157	3.9
343.11719	2.0
343.15100	3.2
344.15866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.01870	2.6
55.05503	7.4
57.03416	2.4
61.69823	1.9
65.03945	3.5
67.05502	8.1
69.03426	8.0
69.07080	14.8
70.36865	3.1
70.37207	5.4
75.04477	3.7
79.05489	17.2
81.03436	4.1
81.07065	16.4
83.04987	2.5
85.02914	10.4
87.04488	2.9
91.05476	21.6
93.07059	25.6
95.04964	5.1
95.08615	18.5
97.02891	4.2
97.06536	5.6
103.05473	3.9
105.07034	17.9
107.04976	8.2
107.08598	100.0
109.02864	3.1
109.06514	5.6
109.10160	3.1
111.04482	4.9
111.08047	3.7
115.05448	2.1
117.07028	5.5
119.04958	2.8
119.08569	8.0
121.06537	6.9
121.10140	7.7
123.04433	5.3
123.08073	2.2
125.06020	2.3
125.09640	4.0
129.07010	5.7
131.04939	3.8
131.08553	6.7
133.06526	2.8
133.10168	2.6
135.08025	3.7
135.11696	47.0
137.05971	22.4
139.03893	5.6
139.07605	2.7
142.03297	2.6
145.10129	7.1
147.04343	5.4
147.08054	5.1
147.11708	8.9
148.03970	6.1
149.05974	5.2
149.13359	2.9
151.03883	2.2
151.07579	4.7
153.05486	9.6
153.12764	3.8
155.07112	2.1
157.06511	4.0
159.07993	3.7
159.11708	4.9
161.05975	12.6
161.09583	2.8
163.03925	3.4
163.07597	9.9
163.11209	13.1
165.12727	4.8
166.90398	2.0
167.07106	2.9
170.02670	2.7
175.07561	8.7
175.11121	3.3
177.09154	3.4
177.12732	2.4
181.06500	3.2
181.08723	2.9
181.12292	9.1
187.20119	2.3
189.09178	9.0
191.03392	11.5
193.08694	2.2
201.09106	5.0
219.10188	4.9
233.09590	3.1
241.08488	2.1
253.08757	2.5
265.08652	6.0
271.13135	3.1
275.90717	2.2
284.10327	2.7
289.14392	3.5
293.11896	3.9
297.11230	6.4
299.12906	4.8
307.15338	2.7
311.12805	5.6
325.14374	6.5
343.08096	2.9
343.11685	5.2
343.15680	7.5
357.36349	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.6
54.79981	3.0
55.05507	14.7
67.05514	38.1
69.03435	7.1
69.07075	9.4
71.30109	4.8
76.99196	3.6
79.05496	9.3
81.03419	100.0
81.07051	18.9
83.04996	17.5
83.08617	4.3
85.02890	7.2
91.05482	19.0
93.07041	39.2
95.05016	4.1
95.08605	56.2
95.09162	5.4
97.06535	3.6
105.07024	20.7
107.08598	19.0
109.06498	4.7
109.10158	92.8
111.04488	12.0
111.08072	21.2
117.06979	4.2
119.08588	88.9
121.06494	8.4
121.10169	17.0
123.08075	3.6
123.11742	8.2
131.08568	15.6
133.10130	64.7
135.11725	10.3
139.07562	29.5
142.07809	10.4
143.08568	14.4
145.10182	18.1
147.11661	33.6
149.13266	10.1
155.08583	6.9
156.09399	8.1
157.10135	22.6
159.08110	4.3
159.11713	14.7
161.13254	8.8
165.07069	5.0
167.08565	5.4
169.10150	15.0
170.11066	4.0
171.11700	18.5
173.09634	6.9
173.13280	5.6
175.14876	5.5
179.08598	5.1
181.10187	5.1
182.07320	6.4
183.11743	10.4
185.09613	10.3
185.13281	7.0
187.11212	7.2
189.16411	5.7
193.10167	4.8
195.11749	4.8
197.09708	5.5
197.13223	5.9
199.11238	11.6
199.14798	6.0
203.18005	4.2
207.11766	5.6
209.13260	10.1
210.06743	9.8
211.11244	18.2
213.12794	10.6
223.11217	4.5
225.09117	16.1
225.12730	8.6
227.14363	16.2
229.12321	5.3
231.13719	4.6
235.16975	10.6
238.06256	7.6
239.14380	12.7
245.15329	18.4
253.08549	13.7
255.21190	5.8
257.15347	10.7
281.08063	23.3
283.09534	4.4
297.18625	3.8
307.16925	15.2
311.09167	23.4
313.10596	8.4
325.17990	42.3
325.21469	6.9
326.18555	5.9
328.09393	5.7
343.07959	7.4
343.11722	14.6
343.19662	10.2
343.26450	32.0
343.30173	8.0
365.84915	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45994	2.4
53.03948	23.6
53.98244	2.1
55.01863	5.4
55.05504	6.1
65.03928	4.4
67.05495	15.3
69.03424	4.2
69.07051	6.4
69.07977	3.7
69.08318	21.9
77.28310	2.1
79.05488	23.7
81.03418	58.9
81.07051	25.7
81.15732	2.4
83.04980	9.3
85.02889	4.4
85.06519	2.3
89.08616	2.2
91.05478	37.4
93.07034	20.5
95.04958	12.9
95.08605	11.6
97.02865	2.4
97.06550	4.3
99.04453	11.3
103.05440	6.3
105.07030	33.1
107.04947	6.0
107.08582	18.0
109.02890	20.9
109.06509	40.6
109.10150	4.4
111.04458	3.6
111.08057	4.8
115.05437	6.4
116.06255	3.6
117.06998	21.1
119.04940	2.3
119.08576	25.8
121.06478	9.8
121.10132	6.5
123.08117	4.8
127.03890	5.4
128.06200	9.9
129.07008	16.2
130.07773	2.3
131.04921	4.2
131.08554	25.4
133.06497	6.8
133.10136	18.1
135.08060	13.2
135.11690	8.8
139.03841	3.4
141.06985	7.5
142.07813	12.8
143.08548	41.9
145.06477	33.0
145.10109	28.7
147.08034	18.1
147.11621	5.2
148.08305	2.7
149.09596	6.4
151.03900	16.6
153.06976	7.4
154.07753	6.4
155.08545	16.8
156.09315	13.3
157.06470	6.3
157.10123	30.3
158.10875	2.6
159.08046	100.0
159.11642	12.7
160.08478	3.1
161.09616	46.5
163.07567	6.8
163.11223	3.4
165.06950	9.7
166.07762	4.0
167.08624	10.5
168.05679	2.2
168.09370	5.0
169.06445	4.4
169.10127	28.3
170.07216	3.7
170.10887	6.5
171.08060	17.1
171.11671	28.8
172.08693	3.8
173.09607	11.9
173.13306	4.2
175.07527	3.6
175.11102	3.7
177.09125	3.0
178.07843	3.4
179.08583	11.5
179.10655	3.0
180.09306	8.4
181.10114	17.7
182.07285	2.6
182.10872	6.9
183.08102	10.3
183.11670	20.4
184.08861	3.8
185.09641	21.2
185.13254	9.7
186.10265	3.8
187.07573	3.5
187.11168	86.7
188.11548	6.1
189.05481	2.7
189.09131	3.9
190.07776	3.6
191.08635	3.9
192.09270	3.0
193.10144	9.1
194.10840	4.8
195.07957	4.8
195.11694	18.2
196.12440	4.6
197.09612	9.5
197.13239	21.2
198.10278	4.8
198.13864	3.2
199.11159	33.7
199.14803	13.0
200.11777	2.5
201.12686	5.5
203.08910	2.4
203.10622	10.8
205.10089	5.6
206.10878	3.8
207.11771	11.3
208.08771	2.5
208.12440	2.8
209.09619	9.1
209.13246	18.0
210.10188	3.3
210.13907	2.7
211.11201	9.6
211.14766	4.8
213.12721	28.0
214.13438	9.7
215.10695	6.6
215.14247	4.6
217.10240	3.9
217.12219	22.1
219.11615	7.3
220.12459	4.7
221.09592	2.7
221.13240	4.2
222.14034	2.5
223.11168	9.2
223.14801	3.2
225.09212	3.7
225.12781	14.2
226.13382	3.5
227.06973	4.3
227.14284	37.6
228.15083	51.8
229.15810	6.0
231.11636	3.1
231.13780	2.9
232.12511	4.0
233.13307	4.6
235.11092	2.5
235.14938	11.1
237.12753	5.5
237.16318	4.9
239.14314	4.9
242.27431	2.5
243.13812	21.0
244.14449	2.6
246.13940	2.9
247.11041	2.5
249.12631	2.8
251.10780	3.4
251.14116	4.4
251.17932	6.6
253.15858	16.1
255.10062	4.3
261.16367	7.8
263.14276	3.9
265.12231	4.0
265.15808	3.8
269.11719	5.1
274.13446	2.3
279.17432	21.5
280.17700	2.5
281.15366	6.8
283.13336	4.8
289.15872	6.1
297.18628	13.6
307.16901	23.3
311.09180	3.0
325.17981	86.0
325.21814	4.7
326.18243	6.5
343.12253	2.3
343.19156	49.0
344.19543	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.9
53.03948	26.6
55.01880	5.2
55.05503	7.7
65.03945	1.6
67.05501	18.0
69.03446	3.6
69.07069	6.7
71.05004	5.9
71.12117	3.7
74.65620	1.9
79.05498	22.6
81.03414	69.4
81.07044	21.5
83.04980	10.5
83.08639	1.6
85.02909	5.3
91.05476	33.6
93.07040	27.2
95.01348	1.6
95.04970	15.8
95.08600	14.9
97.06541	4.0
99.04461	9.7
103.05491	3.7
105.07027	39.6
107.04968	5.7
107.08595	16.3
109.02872	20.8
109.06509	41.9
109.07233	2.3
109.10191	3.8
111.04459	6.1
111.08112	5.8
113.06042	1.8
115.05436	8.3
116.06236	3.3
117.07021	20.5
119.04967	2.7
119.08582	44.5
119.09445	2.3
121.06530	13.1
121.10184	4.0
123.08056	7.0
125.06053	2.0
127.03909	5.7
128.06200	12.8
129.07004	19.8
130.07770	4.8
131.04939	5.9
131.08571	25.7
133.06479	6.5
133.10112	24.5
135.04428	3.2
135.08078	12.9
135.11711	7.2
136.71831	1.7
137.05997	3.4
139.07541	5.5
141.06987	8.9
142.07790	14.7
143.08562	46.5
144.09303	4.3
145.06493	30.4
145.10110	32.0
147.08029	13.4
147.11760	8.1
149.06055	2.3
149.09657	5.8
151.07635	2.8
153.05531	3.3
153.07016	6.0
154.07800	6.0
155.08551	15.6
156.09323	12.0
157.06506	5.8
157.10115	33.6
158.07332	3.0
158.10905	5.3
159.08052	97.5
159.11687	13.4
160.08473	2.5
161.09607	40.3
162.10023	2.0
163.07549	7.6
164.64043	1.9
165.07022	11.2
165.09097	1.8
166.07765	6.8
167.07150	3.1
167.08527	12.8
168.09355	5.5
169.06471	2.9
169.10132	28.5
170.07343	3.0
170.10889	5.6
171.08017	22.5
171.11685	29.8
172.08884	4.8
173.06165	1.9
173.09592	11.2
173.13312	5.2
175.11200	3.2
177.09137	4.0
178.07784	3.2
179.08572	7.2
179.10732	2.2
180.09323	5.1
181.06537	6.1
181.10132	18.9
182.07361	3.1
182.10910	6.7
183.08089	8.8
183.11682	19.5
184.08865	5.4
185.09605	31.3
185.13232	6.3
186.10365	4.9
187.11176	100.0
188.11557	4.1
189.09189	2.1
189.12784	2.6
191.06978	1.9
191.08592	2.2
191.10664	2.3
192.09343	3.8
193.10129	11.0
194.10971	6.3
195.08119	5.1
195.11699	18.4
196.08797	3.2
196.12395	4.2
197.09599	11.2
197.13257	18.7
198.10373	5.3
198.13910	3.1
199.07446	3.5
199.11169	30.4
199.14815	12.5
200.11824	2.4
201.12753	5.9
203.08701	3.9
203.10696	13.4
205.10162	5.1
206.10899	2.9
207.11749	9.5
208.08817	2.1
208.12419	2.3
209.06110	3.2
209.09679	9.2
209.13292	22.8
210.06760	2.9
210.10512	3.2
211.07681	2.5
211.11211	13.2
211.14861	5.8
212.08403	2.2
213.05534	4.0
213.09502	2.2
213.12766	30.7
214.13446	11.0
215.10693	6.1
215.14276	3.3
217.10249	3.2
217.12180	20.5
217.15652	2.1
218.10826	2.6
219.11807	3.1
220.12468	4.0
221.13243	7.4
222.13968	4.1
223.11194	11.3
223.14803	2.1
224.11876	3.4
225.05637	1.9
225.09154	6.2
225.12703	12.3
225.16295	2.2
226.13516	5.6
227.07045	7.6
227.14299	41.8
228.15060	47.2
229.12268	4.1
229.15639	3.5
231.11743	4.0
233.09641	1.9
233.13295	3.9
235.11136	2.4
235.14877	15.6
236.15669	2.8
237.09171	2.5
237.12801	7.3
237.16365	2.6
238.06233	5.2
239.14328	5.7
240.04210	3.7
240.15024	3.9
241.04973	2.4
241.12251	2.5
243.13820	17.7
244.14529	3.2
245.15437	4.5
249.12703	4.0
251.06876	2.3
251.10724	4.7
251.14343	4.7
251.17902	5.8
253.05042	2.9
253.08598	9.2
253.15840	13.8
255.10222	4.0
255.13942	2.8
261.16483	10.6
263.14371	7.4
265.12305	2.5
266.05893	3.7
268.03632	5.7
268.07135	3.8
269.04303	3.3
269.11734	2.2
271.14810	2.6
279.17413	21.1
281.08124	20.1
281.15390	8.0
281.18246	2.3
282.08490	2.4
283.06052	5.4
283.09650	3.4
283.13495	3.3
284.06763	2.1
289.15875	6.4
296.03149	4.1
297.18469	13.5
299.05579	2.5
299.09192	3.1
307.16949	25.2
308.17230	3.4
311.05530	7.1
311.09155	20.5
312.09641	3.9
313.07318	3.5
313.10910	5.2
325.17960	79.9
326.18292	4.9
328.09500	5.0
343.08118	6.8
343.11716	11.7
343.19260	41.0
344.19458	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.4
55.01881	2.6
55.05522	6.7
57.03435	2.1
64.11199	2.0
67.05504	9.5
67.62554	1.5
69.03439	6.2
69.07069	1.7
69.25518	10.1
79.05515	3.4
81.03423	100.0
81.07076	2.9
82.03748	3.3
83.04984	9.5
85.02902	3.5
91.05495	11.5
93.07047	34.3
95.04987	5.4
95.08610	26.6
97.06503	1.8
97.83624	1.8
105.07050	10.0
107.04980	4.3
107.08618	3.4
109.06517	1.8
109.10177	2.7
110.22884	1.6
111.04425	8.5
111.08084	18.9
111.13333	1.6
115.05489	2.1
116.83301	1.8
117.07037	4.1
119.08587	70.5
120.08913	2.6
121.06530	4.5
121.10233	2.0
123.08073	2.9
128.06194	2.2
129.07004	3.9
130.07851	3.1
131.08562	10.8
133.10133	51.1
139.07550	21.8
141.07013	2.9
142.07843	4.2
143.08574	13.0
145.10126	12.1
147.08052	2.3
147.11687	19.9
149.09656	2.6
154.07768	2.2
155.08604	8.8
156.09346	9.5
157.10123	17.3
158.10905	2.2
159.08112	3.2
159.11688	5.8
161.09654	3.0
165.07040	3.4
167.08620	5.2
168.09261	3.2
169.10115	11.5
169.33508	1.9
170.10934	5.7
171.08028	4.7
171.11708	11.7
173.09673	3.0
173.13263	2.5
175.11256	3.4
179.08591	4.8
181.10201	2.0
183.11671	11.5
185.09654	7.5
185.13243	9.5
186.10257	1.8
187.11140	9.1
192.07607	1.7
192.09358	1.9
193.10141	4.6
194.11000	4.6
195.08041	2.3
195.11710	5.4
196.12482	2.3
197.09634	6.3
197.13261	6.0
199.11220	7.2
199.14885	7.3
205.10184	2.2
206.10843	3.0
207.11731	5.1
208.12492	2.9
209.09608	1.8
209.13260	8.5
210.06827	3.4
210.10356	1.8
211.11203	16.0
211.14885	4.8
213.12767	10.7
215.14302	2.9
217.10136	2.6
217.12349	1.9
221.13252	2.6
223.11264	4.0
223.14822	2.4
224.12085	2.2
225.09184	4.6
225.12773	7.2
226.13512	6.7
227.14313	20.3
228.15010	2.3
229.10251	4.1
229.12227	4.1
230.10941	2.8
231.11792	3.8
231.13911	3.0
233.13223	2.2
237.12663	2.4
237.16365	2.7
238.22226	1.8
239.14330	12.1
241.10110	2.3
243.11655	3.6
243.13980	2.3
244.12416	1.7
245.09785	2.7
245.13094	2.5
245.15366	17.8
253.08531	2.4
257.13193	2.1
257.15442	11.4
259.11209	3.2
263.14474	4.2
265.15970	3.5
267.11771	3.3
269.13049	4.0
271.11276	4.5
271.14828	2.2
272.11905	2.1
273.12637	1.9
279.17337	3.8
281.04663	1.9
281.07916	3.5
282.14017	2.4
283.06079	7.1
283.09146	2.4
283.14633	4.1
285.12817	5.4
286.13385	4.3
287.14148	2.4
297.07773	2.1
299.05688	2.1
299.14301	2.7
300.14978	8.2
301.12424	4.0
301.15860	9.3
307.17032	13.5
311.09070	9.1
312.09866	12.0
313.07190	3.4
313.10919	6.0
315.17355	2.6
325.18094	34.3
326.18448	2.4
328.09155	2.0
328.14575	4.7
343.12329	4.7
343.16635	42.2
343.20193	7.6
344.16928	2.6
344.21024	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
55.01870	3.6
55.05515	8.0
57.03432	3.9
57.07064	3.6
59.05006	2.5
65.03941	1.8
66.08743	0.9
67.05506	13.7
69.03423	4.8
69.07074	3.2
69.22883	6.2
69.23289	2.0
71.05003	9.5
79.05501	11.7
81.03414	2.5
81.07056	13.7
83.04995	3.8
83.08620	1.3
91.05476	16.0
93.07047	32.3
94.07355	1.1
95.04974	26.5
95.08605	37.1
95.33282	1.0
97.06528	7.4
103.05476	2.0
105.04530	1.1
105.07029	40.2
106.07325	1.3
106.44839	1.0
107.04952	2.3
107.08595	24.6
107.09286	1.7
109.06520	8.8
109.10175	2.8
111.08081	1.4
115.05468	4.6
117.07021	15.6
119.08575	12.6
121.06517	8.0
121.10137	8.8
123.08073	14.5
125.05978	1.6
128.06221	2.4
129.07008	3.0
130.07776	8.1
131.08577	4.4
133.06477	3.1
133.10136	7.6
135.08041	14.1
135.11687	7.5
137.06039	1.4
137.09613	2.9
141.06996	1.5
142.07791	2.3
143.08545	5.9
145.06483	1.5
145.10127	38.3
146.10463	1.9
147.08029	6.7
147.11729	2.0
149.09619	3.2
150.25841	1.1
151.07544	21.8
153.09061	2.1
154.07750	1.1
155.08615	1.1
156.09357	1.6
157.10187	4.9
159.08090	1.4
159.11713	5.2
161.09660	4.6
161.13249	2.1
163.11185	33.2
164.11633	1.3
165.07062	2.3
165.09056	7.8
167.08615	1.2
168.05779	1.4
169.06390	1.0
169.10130	3.1
171.04408	1.6
171.11769	2.6
173.09628	2.1
173.13278	2.1
175.11215	1.4
177.09138	2.6
179.07108	1.5
179.08536	1.5
181.06525	1.1
181.10118	1.9
182.07272	1.6
183.04410	1.6
183.11674	2.5
184.05164	1.9
185.06047	1.4
185.09604	1.6
185.13266	1.7
187.11223	2.2
187.14792	1.9
189.12738	6.6
191.10602	1.8
191.14229	1.3
193.10201	1.3
196.12244	1.0
197.05917	1.4
197.09569	1.3
197.13318	2.7
199.03899	3.6
199.11247	2.2
203.10709	1.2
203.14333	4.8
207.10054	1.1
207.13837	3.2
209.13376	1.4
209.15361	1.8
210.06757	3.8
211.03932	2.2
213.05508	2.7
217.12277	1.4
221.13293	1.8
221.15369	13.5
222.15848	1.2
223.14873	1.8
225.09038	5.8
225.12723	1.8
227.03349	4.7
228.04106	2.1
233.15324	2.5
238.06284	2.8
239.03436	4.4
239.06931	1.3
240.04047	1.4
240.07767	1.6
241.04955	4.6
242.05470	1.5
243.06514	1.8
243.13835	1.2
253.08643	6.2
254.02019	2.4
254.05829	1.5
255.02885	2.6
256.03665	4.7
257.04498	2.7
263.16388	2.6
267.02951	4.5
267.06073	1.1
268.03732	1.8
268.07281	1.1
269.04391	5.7
269.15305	1.8
270.05063	3.9
270.08768	1.2
271.05887	2.4
281.08096	11.5
282.08380	1.7
283.02383	2.3
283.09903	1.1
284.03168	3.7
285.03906	7.0
286.19370	1.8
297.03918	29.3
298.04285	4.7
299.05490	18.2
300.06244	14.5
301.06641	1.3
311.05652	1.7
311.09113	9.4
312.09644	1.7
313.03485	7.8
313.10852	2.2
314.04102	1.4
325.03473	1.2
325.21533	6.1
327.04898	7.6
328.05716	5.3
328.09296	3.2
343.08112	100.0
343.11575	5.7
343.22696	31.8
344.08481	9.1
344.22922	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2631
Annotation	Nostocyclyne A
Peak:m/z	Relative Intensity
53.03941	1.9
55.01896	1.0
55.05511	10.9
57.07076	3.3
60.56928	0.9
65.03945	3.4
67.05505	47.4
68.05820	1.1
69.07072	17.0
69.24928	6.5
71.04993	1.7
79.05493	22.8
81.03422	1.1
81.07057	36.0
83.04979	1.8
83.08636	7.8
85.02912	1.0
85.06548	2.8
91.05478	22.2
93.07043	45.6
95.04982	1.7
95.08607	67.9
96.08948	2.3
97.06487	1.5
97.10176	1.9
99.04472	1.4
105.07028	36.4
106.07330	1.4
107.04933	1.2
107.08595	94.7
108.08940	2.5
109.06522	3.3
109.10157	100.0
110.10516	3.7
111.04433	1.0
111.08114	1.7
111.11732	1.7
113.06000	0.9
115.07552	1.0
117.07008	6.5
119.06094	1.4
119.08578	42.3
120.08937	1.3
121.06514	1.9
121.10146	63.5
121.59196	0.9
122.10483	2.5
123.08083	3.7
123.11713	13.8
127.07534	1.4
129.06999	2.2
130.07838	1.0
131.08560	16.5
131.09499	1.4
133.06503	2.7
133.10129	45.7
134.10454	1.7
135.08073	3.9
135.11696	17.1
137.13266	3.3
137.76575	1.0
139.07550	2.9
141.09108	2.4
142.07761	1.8
143.08514	5.4
144.09332	1.3
145.10117	17.1
146.10645	0.9
147.08058	4.9
147.10596	0.8
147.11687	21.7
149.09621	3.0
149.13278	13.1
153.09085	5.8
155.08519	1.2
156.09343	1.7
157.10130	6.6
159.08086	3.8
159.11687	14.9
160.12003	1.2
161.09621	8.9
161.13257	14.3
163.07503	1.3
163.11128	2.2
163.14844	10.0
165.07024	1.3
165.09149	4.2
167.10715	4.2
169.10086	1.2
171.11676	5.2
173.09647	3.8
173.13251	18.6
174.13640	1.1
175.11176	6.8
175.14819	12.3
176.15186	1.0
177.09119	4.7
177.12813	1.4
177.16374	2.2
179.10695	6.4
181.10214	1.3
181.12262	4.8
183.11691	1.9
185.13269	4.2
187.11214	2.5
187.14792	12.6
189.12798	2.4
189.16408	5.7
191.10725	3.5
191.14224	1.1
191.17978	1.0
193.12265	3.7
195.13834	5.6
197.13303	2.8
199.11160	1.6
199.14873	4.0
201.12801	1.8
201.16356	6.3
203.14284	1.3
203.17969	2.8
205.12286	3.1
207.13835	4.0
209.13542	1.4
209.15369	4.3
210.06804	1.8
211.14799	2.1
213.12746	1.5
213.16438	3.6
215.14354	2.3
215.18024	3.6
217.15884	4.4
219.13832	8.9
221.15337	10.7
223.14880	1.9
223.16966	1.3
225.09100	2.4
225.16359	1.5
227.17921	2.2
229.15872	1.7
229.19559	1.8
231.13841	1.1
233.15395	9.3
235.16937	18.3
240.23192	1.8
241.19522	1.9
245.15431	1.4
247.16982	11.7
249.18565	3.9
253.08626	3.3
255.17442	1.8
259.16901	1.7
261.18552	2.0
269.19003	1.7
273.18536	2.8
281.08023	5.7
283.20654	2.6
283.24234	3.9
284.24774	1.1
287.20114	7.7
301.21677	1.3
307.24106	1.3
311.09213	4.4
313.10562	1.4
325.25269	3.8
343.08035	1.1
343.11661	3.9
343.26346	78.8
343.37753	2.6
344.26611	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92960	0.8
51.02356	0.7
51.15514	0.8
53.03932	1.8
55.05259	1.1
55.05508	9.1
57.07071	3.1
58.13826	0.8
65.03944	2.2
67.05506	26.7
69.07066	12.3
70.48210	2.2
71.04993	1.6
71.08644	1.5
75.62679	0.8
79.05492	21.7
81.03418	1.7
81.07056	27.5
83.08630	3.8
85.02902	1.0
85.06567	2.0
91.05479	20.7
92.06281	0.8
93.07043	49.4
93.92239	0.8
94.07386	1.7
95.04955	1.8
95.08607	47.4
96.08950	2.0
97.06556	1.9
97.10163	2.5
99.04436	3.1
101.06021	1.8
103.05505	1.1
105.07030	25.9
107.08592	100.0
108.08893	4.5
109.06518	3.2
109.10155	45.0
110.10465	1.7
115.05377	0.9
117.07009	2.0
119.06091	1.2
119.08582	36.1
119.09444	1.8
121.06525	0.9
121.10143	75.3
122.10487	2.3
123.08055	3.4
123.10892	1.4
123.11717	12.9
127.07568	1.8
129.07002	1.1
131.08591	7.6
132.57611	0.8
133.10127	25.7
134.10466	1.0
134.94759	0.9
135.08064	2.7
135.11693	17.6
136.12064	1.1
137.09653	1.0
137.13235	2.5
141.09137	0.9
142.07831	0.9
143.08588	2.7
144.09378	1.0
145.10120	14.7
147.08083	1.4
147.11693	20.5
149.09619	3.1
149.13260	7.6
153.05589	0.9
153.09108	3.5
157.10182	3.8
158.10907	1.1
159.08072	0.9
159.11699	11.2
161.09634	5.4
161.13272	13.1
163.11203	2.7
163.14835	4.7
165.09178	2.4
167.10674	5.1
171.11665	3.2
173.09641	1.2
173.13242	10.8
175.11209	5.1
175.14836	7.8
177.12732	2.4
177.16362	1.9
179.10686	2.7
181.12248	3.2
185.13298	2.5
187.11134	1.0
187.14874	6.9
189.12778	2.3
189.16432	2.3
191.10712	1.7
193.12260	2.7
195.12233	1.3
195.13794	7.1
199.11270	0.9
199.14822	2.5
201.12712	2.5
201.16405	4.1
203.14369	2.2
205.12209	2.0
207.13853	1.6
211.14694	0.9
213.16484	1.5
215.14401	1.3
215.17949	4.3
217.15724	1.6
219.13841	2.1
221.15331	8.1
223.16899	2.1
225.09103	1.8
227.17909	2.1
229.19505	2.7
233.15395	4.1
235.16936	7.3
237.16226	0.9
240.23215	1.5
247.16997	2.9
247.72899	0.8
249.18492	2.2
273.18472	2.7
281.08096	2.1
283.24185	1.7
287.20084	2.7
301.21588	1.2
311.09109	1.4
325.25250	0.9
343.11734	2.1
343.15451	1.1
343.22171	1.8
343.26324	36.3
344.26639	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.9
55.05503	18.6
57.07080	5.9
63.60393	3.6
67.05500	22.7
69.07066	31.0
69.61334	24.6
79.05486	9.6
81.07055	75.5
83.08608	13.2
84.05206	4.0
91.05478	5.4
93.07040	7.9
94.81731	4.2
95.08603	100.0
97.10166	7.7
98.23264	5.8
99.08081	11.7
105.07043	10.1
107.08574	15.8
109.10150	45.0
111.11708	5.7
119.08548	6.0
121.10152	12.8
123.11711	27.3
135.11713	7.1
137.13208	7.6
139.11150	8.1
151.14763	8.6
175.14874	5.6
237.18317	5.6
254.23929	5.2
305.71057	4.7
307.26190	12.5
327.84897	4.6
343.12112	5.1
343.16696	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
55.05512	18.8
55.98510	0.6
57.07082	5.3
57.07332	0.9
67.05508	5.2
69.07065	11.2
70.06581	1.8
70.36267	0.6
71.04993	0.8
71.08631	1.7
71.31339	0.7
72.04514	1.4
72.08154	100.0
73.06563	2.7
73.08483	1.4
78.80444	0.6
79.05478	3.5
81.03417	1.4
81.07044	5.4
83.04947	1.2
83.08615	9.1
85.10200	0.9
89.10327	0.7
89.10767	3.9
91.05481	2.6
93.07041	5.1
95.04967	1.4
95.08607	8.8
96.08129	2.0
97.06517	2.2
97.10155	6.4
98.06053	22.9
105.07037	3.0
107.04932	1.2
107.08593	4.5
109.06505	0.7
109.10154	2.2
110.52932	0.6
111.08092	2.1
111.11735	1.2
114.09158	6.5
115.05444	0.7
115.08688	5.5
116.84240	0.7
117.07019	1.4
119.08586	4.5
121.10133	5.3
123.08052	2.6
123.11707	1.8
125.09655	0.6
131.08563	2.5
131.11800	1.2
133.10139	1.9
135.11684	2.1
137.05965	0.9
137.13277	0.9
142.07738	1.4
143.08571	2.0
144.09351	0.7
145.10135	2.8
147.11734	1.9
149.13304	1.1
151.03949	0.8
151.07472	1.0
157.10205	3.0
159.11687	10.8
161.05949	1.1
161.13246	1.8
163.07574	1.1
165.06865	0.6
167.07022	1.0
169.10205	0.9
171.11682	1.2
173.09520	0.9
173.13307	1.4
175.11275	0.7
185.13231	3.9
187.11237	0.8
187.14908	0.7
194.63130	0.7
195.08049	1.2
197.06111	0.7
199.14935	0.7
203.14308	3.2
211.11162	0.6
219.10011	0.8
219.21080	1.2
237.22067	1.7
238.05801	0.7
240.23141	1.7
241.08372	1.1
253.08519	1.0
254.05681	0.7
254.24834	1.3
255.06476	0.9
265.08575	0.8
266.24741	1.0
267.06232	0.9
269.07950	1.2
281.08102	1.8
285.07458	1.9
297.07556	1.8
297.10883	0.8
297.22147	1.0
299.20117	3.0
300.09882	1.4
308.29446	30.0
309.29758	2.1
311.09024	2.1
312.09903	1.7
313.10388	1.6
315.12000	1.1
325.21640	1.9
325.32086	11.0
326.30484	46.5
327.30844	3.5
328.09348	1.2
343.08206	1.0
343.11606	5.0
343.15472	1.7
343.20563	3.4
343.33179	84.3
344.12384	1.1
344.21188	2.6
344.33432	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
57.03430	0.8
61.02918	1.3
62.32159	0.5
69.03422	3.4
70.57392	1.4
71.04997	0.5
72.18480	0.4
73.02891	0.6
81.03403	1.5
85.02905	17.0
86.03255	0.6
91.03953	0.8
91.05476	5.0
95.04974	0.7
97.02875	2.8
109.02866	1.8
119.04946	18.1
123.04434	2.5
127.03941	2.4
141.45372	0.4
145.04970	3.3
147.04405	100.0
148.04744	3.9
155.91832	0.5
165.05476	49.8
166.05815	2.2
174.30177	0.4
180.08693	1.7
239.51012	0.5
302.15378	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
61.02926	1.0
61.03226	0.4
65.03929	0.5
69.03427	4.2
69.40845	2.7
71.04986	0.5
81.03411	1.6
81.18226	0.5
83.19034	0.5
85.02906	17.6
87.04481	0.6
91.03954	0.7
91.05485	5.4
97.02880	3.1
98.22717	0.7
109.02890	1.1
119.04086	1.1
119.04942	20.4
120.05293	0.7
123.04415	2.6
123.80634	0.4
127.03895	2.3
145.04886	2.6
147.04407	100.0
148.04750	4.8
165.05476	51.3
166.05838	2.0
180.08739	1.3
199.54715	0.4
217.48524	0.5
231.53275	0.5
297.91150	0.5
344.13898	1.9
345.14874	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
57.03432	0.8
61.02919	1.8
69.03433	3.3
70.46680	0.9
70.47031	0.5
74.35292	0.4
81.03403	1.5
85.02906	13.4
86.03275	0.4
87.04468	0.5
97.02892	2.7
99.04423	0.6
107.04955	100.0
108.05306	3.0
109.02886	1.2
127.03899	1.4
145.04979	3.0
149.06015	0.5
165.09113	13.6
165.10469	0.9
166.09447	0.5
180.08681	1.6
182.11804	1.4
182.14343	0.4
190.46861	0.4
223.18250	0.4
273.83389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39701	1.0
55.87485	0.9
56.23281	1.0
57.03429	2.1
57.26038	1.0
59.05006	62.7
61.02923	3.8
68.83197	1.1
69.03437	9.1
70.06591	3.7
70.89218	0.9
71.30187	1.8
71.56821	1.0
71.59301	0.9
74.39105	1.0
77.06049	3.2
79.05497	2.2
81.03423	5.2
81.07053	1.3
84.08092	1.4
85.02911	29.5
86.09669	1.2
89.06036	19.5
91.03938	2.1
91.05467	6.0
97.02903	8.4
103.07589	65.8
107.04965	3.8
109.02898	3.0
109.10165	1.3
119.04952	18.0
119.08636	1.7
122.06054	3.2
123.04446	3.4
127.03973	7.4
132.04439	1.7
133.08595	8.2
137.05977	10.3
137.09605	1.3
143.03152	2.0
145.04950	5.3
147.04416	98.5
147.10092	1.2
148.04758	4.2
164.07076	10.0
165.04102	2.3
165.05492	45.8
165.11240	100.0
166.11523	2.5
180.08698	2.3
182.04984	1.7
182.08038	4.7
182.11731	1.3
183.06409	1.0
202.62857	1.2
228.75139	1.2
302.12576	1.4
344.10172	1.1
344.13635	9.8
344.17050	1.5
345.11746	4.8
345.15750	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	9.4
57.16248	5.1
61.69256	6.0
67.05493	24.3
69.07059	31.6
69.52698	30.8
79.05488	37.4
79.14970	5.3
81.03418	18.9
81.07054	22.6
85.02886	8.9
91.05490	20.7
93.07044	17.9
95.04967	17.5
95.08593	20.9
97.06531	100.0
102.53648	5.4
105.07007	14.6
106.64055	5.3
107.04954	83.0
107.05624	9.3
107.08618	13.9
109.06503	12.9
109.10170	8.1
115.07584	18.4
117.07056	9.4
119.08584	8.7
121.06505	5.1
123.08025	5.6
131.08585	11.3
133.10153	11.4
135.08089	7.6
135.11722	7.5
141.06960	7.9
145.04958	5.8
147.11740	5.7
165.09048	8.6
273.40747	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1154
Annotation	Clotrimazole
Peak:m/z	Relative Intensity
59.40277	0.6
59.55486	0.7
60.04510	0.5
60.37317	0.6
61.28432	0.7
67.05511	1.6
69.03425	1.2
70.40047	1.5
79.05476	0.6
81.07048	1.4
85.02902	1.7
91.05476	2.0
93.07008	0.8
95.04987	0.6
95.08610	1.1
105.07051	0.8
107.04935	2.9
109.10143	3.9
113.06011	1.4
123.04448	0.6
124.07630	0.7
127.03934	0.7
131.04887	0.9
131.08569	0.9
131.84996	0.5
132.84912	0.6
137.06001	2.7
137.09604	4.4
147.04373	0.9
149.05957	1.7
155.10634	1.5
156.48004	0.6
165.06937	0.6
165.09145	3.1
167.07083	3.2
167.10443	0.5
183.06285	100.0
184.06664	2.8
185.04214	10.4
253.08531	1.0
254.51846	0.6
266.69485	0.6
270.08844	0.8
270.97946	0.7
275.18814	0.6
285.11209	2.6
292.59430	0.6
301.94510	0.6
313.10687	1.3
321.72821	0.6
327.12283	0.7
345.11496	59.7
346.11795	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1157
Annotation	Clotrimazole
Peak:m/z	Relative Intensity
57.03442	0.8
61.02928	0.9
67.05508	1.0
69.03407	1.4
70.06594	0.9
70.37721	1.8
70.38065	0.9
70.79477	0.9
73.02923	0.9
78.60181	0.7
79.05489	1.1
81.03379	1.1
85.02905	8.4
86.09702	1.6
91.05495	1.5
93.07038	0.8
95.05004	1.4
97.02891	1.9
103.38448	0.7
105.06991	0.8
107.04957	5.0
109.02857	0.9
109.10136	1.1
119.08628	0.8
119.23402	0.7
119.47234	0.8
123.08054	0.8
127.03930	1.6
137.05978	9.6
145.04976	2.0
147.04419	2.5
148.04704	2.3
149.05962	1.6
151.03905	1.0
165.01843	0.9
165.05548	1.3
165.09084	1.8
166.05838	1.2
166.08574	2.9
167.07117	0.9
182.02757	1.1
183.06285	100.0
184.06589	3.0
185.04224	14.6
196.55205	0.8
265.08487	1.0
271.12878	0.8
345.11441	58.4
345.15231	30.8
346.11853	2.4
346.15558	0.9
348.01437	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	1.1
61.28439	0.7
65.03931	1.5
67.05511	1.0
69.03430	2.0
69.67593	4.0
70.06573	1.2
73.02932	1.2
76.01752	0.8
79.05491	0.9
84.08192	0.8
85.02895	7.7
91.05469	2.6
92.32893	0.7
93.03360	1.2
97.02890	1.9
98.97556	0.7
107.04955	3.4
108.02130	0.9
109.10152	1.0
110.70798	0.9
119.04928	2.9
120.05282	1.2
121.06532	1.0
122.03648	3.4
125.06029	1.3
127.03922	2.2
131.04955	0.8
137.05981	34.0
137.07047	1.8
138.06270	0.9
145.04971	2.4
147.04405	6.5
147.08022	1.6
148.04747	8.5
149.06000	3.3
151.03902	11.2
151.04991	0.9
153.05513	1.2
161.05977	1.9
163.06015	0.8
163.07549	1.3
165.05489	2.7
165.06839	1.1
166.05846	3.3
175.07556	5.3
177.05475	0.9
180.08646	1.0
183.06296	100.0
184.06584	2.8
185.04213	12.8
185.05711	1.3
191.07111	1.5
207.07840	0.9
221.05914	0.9
225.09215	0.9
237.09174	1.0
244.27161	0.8
253.08784	1.0
265.08578	1.1
269.17871	0.8
285.11215	1.6
294.08676	0.8
297.11264	1.3
299.13007	0.9
310.84375	0.9
328.11975	0.8
345.11575	73.4
345.15198	8.1
346.11768	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01859	0.9
57.03424	0.7
57.68588	0.7
61.02903	2.1
62.97768	0.6
65.03923	0.9
68.05023	0.6
69.03426	6.5
70.79282	1.1
71.72764	0.7
72.08144	0.6
73.02895	1.7
76.40254	0.5
81.03398	1.8
82.06557	1.6
85.02909	7.9
87.04439	1.7
91.03940	0.6
92.04990	2.2
94.06562	1.3
96.04489	0.9
97.02896	3.2
99.04420	0.8
107.09669	0.6
109.02872	1.0
109.07588	1.0
110.06028	1.2
115.65415	0.5
119.06065	24.3
120.04465	5.1
122.06049	1.3
122.07129	1.0
127.03954	0.9
135.05461	0.7
137.05971	3.3
137.07095	6.8
145.04971	1.1
147.05522	7.4
148.03937	4.6
148.06316	30.6
149.07104	23.5
150.05537	0.6
150.07466	0.7
164.05769	0.6
165.06598	100.0
166.07289	5.9
177.00858	0.6
183.06357	3.2
183.07660	59.4
184.08006	1.7
214.06021	0.6
243.02005	0.7
255.01993	1.1
345.12943	83.0
346.09314	1.0
346.13116	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69511	0.7
59.32856	0.8
69.05378	4.2
69.05792	1.6
81.07043	0.8
82.36517	0.6
93.07028	1.1
95.08546	0.8
105.06999	0.9
107.04922	1.5
119.08565	1.0
119.71835	0.8
128.06210	1.1
129.06969	1.0
141.06921	1.1
143.04930	1.6
143.08563	1.1
145.06442	0.8
151.03879	0.9
152.06178	2.0
153.06937	2.3
154.07722	2.3
155.08528	1.2
165.06981	8.7
166.07689	2.2
167.04929	0.8
167.08539	3.1
169.06491	1.0
171.04437	1.0
171.08018	2.5
178.07744	1.2
179.08580	3.7
181.06471	4.8
182.07268	28.8
183.07899	3.1
184.05136	1.5
185.05896	1.2
192.05721	1.0
193.06474	1.7
194.07195	2.4
195.08089	5.1
196.08786	2.9
197.05888	1.4
197.09593	13.1
198.06728	1.0
198.09999	1.2
199.03905	3.6
199.07541	15.0
200.08160	0.9
205.12238	1.1
207.08006	1.4
208.05164	1.8
209.05936	3.3
210.06754	31.6
211.07359	6.0
212.08282	1.3
213.05470	1.0
213.09052	2.3
214.06192	2.1
214.09702	1.0
221.05951	1.1
221.07906	0.8
222.06734	4.0
223.03876	2.2
223.07510	2.4
224.08243	6.0
225.09090	52.6
226.06140	0.9
226.09486	4.5
227.07018	32.6
228.07724	6.1
235.07529	1.9
237.05463	5.6
237.09123	1.2
238.06229	21.3
239.06902	6.1
240.04121	0.8
240.07774	1.6
241.08557	4.4
242.09349	14.1
243.10020	1.6
244.07233	1.2
251.07057	3.7
252.07813	9.4
253.08583	60.9
254.05711	1.0
254.09096	5.7
255.06499	16.8
256.07059	5.0
257.11826	3.4
266.05753	10.8
267.06479	11.7
267.10098	6.4
268.03784	0.9
268.07065	2.9
269.08121	4.3
270.08856	21.1
271.06546	0.8
271.09531	5.7
272.06766	6.2
280.07272	2.2
281.08063	100.0
282.08658	18.3
283.05997	7.5
283.09473	2.5
284.06711	1.1
285.11182	19.5
286.11469	1.5
287.09134	7.1
295.09473	1.3
297.07590	2.3
298.08337	20.5
299.09085	9.7
313.10675	66.1
314.11237	12.2
315.08600	6.1
315.11887	1.5
323.10645	0.8
330.10925	11.7
331.11212	1.2
345.13315	35.3
346.13654	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1332
Annotation	Carpinontriol B
Peak:m/z	Relative Intensity
51.03408	1.1
55.01868	1.7
75.20949	0.9
81.07048	1.8
88.24394	0.8
91.05473	3.4
93.03407	1.4
95.04959	1.7
103.05442	2.1
105.07037	2.5
105.73344	1.1
107.04974	3.7
109.06507	1.1
111.04475	1.8
115.05450	2.5
118.98512	1.0
119.04945	1.0
121.06505	2.9
122.03689	2.3
123.04380	1.1
125.06009	1.6
131.04950	3.0
133.06548	1.1
134.03664	1.6
137.02229	1.3
137.05974	33.8
143.04932	2.7
146.03658	3.3
149.05984	4.6
151.03902	1.8
151.07567	3.3
153.05458	4.5
153.06911	1.3
154.07776	1.6
160.05193	1.4
161.05975	30.2
162.06366	2.1
163.07529	1.7
165.07011	14.1
165.08347	1.4
165.08923	1.0
167.08546	2.2
175.07578	6.9
177.05476	1.9
178.07884	1.0
179.07004	3.4
179.08530	3.5
181.06508	3.8
182.07263	6.8
183.07890	1.9
187.07564	1.4
188.04651	7.7
191.07059	2.6
193.06500	16.7
194.07161	2.2
195.07993	2.3
196.08830	2.5
197.06000	2.7
197.09624	4.0
199.07538	1.7
203.06976	13.8
205.08499	1.7
206.07254	2.0
207.08089	4.9
208.08763	1.1
209.05992	2.7
210.06712	17.8
211.07574	5.7
213.09131	1.1
221.05969	22.4
221.07994	1.7
222.06389	2.0
223.07533	1.2
224.08344	4.1
225.09109	27.5
226.09476	1.8
227.06981	4.8
234.06819	2.2
235.07558	4.6
237.05437	1.6
237.09187	1.1
238.06264	13.5
239.06969	3.0
239.10663	3.2
242.09238	1.5
249.09105	3.4
251.07057	2.4
252.07805	6.2
253.08589	51.2
254.09122	3.4
255.06526	6.6
267.10135	15.9
269.08096	1.9
270.08942	7.0
277.08621	6.7
285.11209	100.0
286.11499	5.6
294.08899	1.7
295.09659	8.1
299.12814	1.7
309.11176	14.8
310.11487	1.9
312.09879	2.0
313.10669	2.4
313.64105	1.1
327.12250	63.0
328.12485	4.9
345.06067	4.6
345.13458	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61335	1.7
55.01851	1.7
55.05524	3.0
65.03933	6.0
68.02691	2.7
69.07063	3.9
70.19868	3.7
70.20269	5.5
71.05046	2.3
79.05482	4.7
81.03364	2.8
81.07080	3.4
91.05487	7.9
93.03431	3.9
93.07061	2.0
95.08581	2.6
96.02113	13.5
103.05451	5.3
105.07064	5.0
107.04959	5.3
111.04449	42.8
115.05471	3.4
115.07603	3.3
119.04903	2.2
119.08585	2.3
123.04475	4.4
128.06192	2.8
129.06969	4.4
131.04929	7.0
133.02837	3.1
137.05984	24.8
139.03912	5.9
141.07004	5.6
145.06496	3.5
147.04369	3.0
147.08000	2.9
148.05150	2.3
149.06006	2.5
150.06747	4.0
151.03920	4.2
151.07530	11.3
152.06226	6.2
152.10721	8.2
153.05531	5.4
153.07013	10.0
154.07727	3.1
155.04884	2.8
155.08546	4.0
157.06496	4.2
159.08051	3.2
161.05952	6.9
162.06757	4.8
163.07510	5.7
165.05576	4.4
165.07021	13.4
165.09152	6.1
167.03418	4.5
167.07195	2.7
167.08559	8.7
168.05667	5.0
169.06531	9.7
169.10211	3.4
170.07205	2.2
170.54710	2.1
171.08003	3.2
175.07594	4.7
176.70517	1.9
177.06998	3.7
178.07767	9.7
179.08501	12.9
181.06522	17.3
181.10147	3.2
182.07256	6.8
183.04431	5.8
183.08055	8.5
184.05212	2.1
185.05940	5.6
189.06985	5.3
189.09097	2.6
190.07675	2.4
191.07082	2.8
191.08611	3.2
193.06477	3.5
193.10172	4.8
195.08069	18.2
196.05171	5.6
196.08665	2.4
197.05991	22.7
197.09560	5.5
198.06728	6.5
199.07512	4.3
203.08614	4.9
205.06548	10.2
206.07304	12.8
207.04501	3.1
207.08124	17.9
208.05200	2.5
208.08742	3.0
209.06007	9.9
209.09666	5.1
210.06760	10.7
211.04031	3.5
211.07529	27.9
212.04619	2.4
212.08267	20.8
213.05510	5.8
213.09061	5.6
215.07025	5.8
217.06549	5.3
218.07358	2.9
219.07945	2.8
221.06041	7.6
221.09622	14.5
222.06772	2.4
223.04030	2.6
223.07509	19.6
224.04617	3.2
224.08214	8.8
225.05504	19.6
225.09093	16.8
226.06253	11.8
227.06982	14.4
228.04185	2.4
229.08609	5.2
230.09369	2.9
231.08017	3.4
233.06081	5.9
234.06715	17.7
235.03961	2.3
235.07487	22.7
236.08134	4.6
237.05450	13.5
237.09122	6.5
238.06186	8.7
238.09926	7.3
239.03313	3.2
239.07011	33.3
239.10645	11.1
240.07773	7.4
241.04971	4.0
241.08585	20.4
242.09258	3.6
243.06529	17.2
248.08559	2.6
249.09114	22.7
250.06195	3.1
251.06999	28.3
252.04169	3.5
252.07733	11.1
253.04955	9.2
253.08609	54.1
254.05690	9.3
254.09145	4.7
255.06467	17.2
256.07285	14.5
256.10931	18.6
257.07922	6.1
257.11179	2.2
259.09644	12.7
263.07031	23.2
264.07611	4.1
265.08630	10.4
266.05719	3.9
266.09329	5.7
267.06598	17.4
267.10178	43.7
268.07040	3.1
268.10706	2.7
269.05023	4.0
269.08081	58.5
270.08719	7.5
271.06006	20.4
271.09613	7.4
277.08624	23.1
279.06589	3.7
280.07294	8.1
281.08102	100.0
281.11176	3.9
282.08636	6.0
283.05978	12.9
283.09567	9.1
284.06799	9.7
284.10101	3.3
285.07513	9.3
285.11160	7.9
286.08374	23.7
287.08810	2.5
289.14310	6.7
291.20859	2.5
294.08893	3.4
295.09637	66.1
295.12930	3.2
296.10110	4.2
296.73914	2.4
297.07602	6.2
298.08295	7.3
299.09134	36.9
299.12708	7.1
301.14450	3.8
309.11334	5.0
312.09927	24.2
313.10651	43.4
314.11194	6.1
315.12207	2.6
327.12225	11.7
345.13345	33.5
346.13855	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1333
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
58.05043	2.1
60.76587	1.9
69.87093	4.3
69.87493	3.6
79.05501	3.2
90.88406	2.3
91.05483	4.0
102.67732	1.9
107.04971	3.0
111.04433	3.4
113.58391	2.0
115.05470	4.2
121.06518	4.2
123.04402	2.7
131.04913	3.9
133.06520	2.3
137.05994	32.2
142.09100	1.9
149.06000	7.9
151.03915	4.5
151.07573	3.0
153.05551	4.4
160.05261	2.1
161.05991	32.2
161.07216	3.4
163.07538	3.2
165.05789	2.9
165.07028	15.5
167.08562	2.9
175.07576	6.5
178.07820	3.3
179.07115	3.4
179.08574	4.8
181.06487	3.1
182.07297	6.0
188.04695	5.0
191.07056	2.6
193.06525	12.6
194.07135	4.6
195.08052	3.2
197.06044	2.7
197.09630	4.3
203.06964	14.8
207.08081	3.3
209.05981	4.8
210.06746	13.6
211.07515	5.6
212.06012	1.8
221.06003	24.6
224.08220	4.6
225.09105	26.0
227.07092	4.8
227.10591	2.1
235.07475	3.0
237.05487	3.2
238.06273	14.4
239.06926	5.2
239.10689	4.2
240.07770	2.7
241.08844	1.9
242.09352	2.1
249.08961	2.9
251.07233	2.8
252.07884	5.5
253.08589	54.0
254.09106	4.8
255.06555	6.8
266.09149	2.0
267.10187	14.3
269.08176	2.6
270.08942	7.8
277.08569	7.0
281.08054	3.8
285.11215	100.0
286.11569	8.9
294.08719	3.1
295.09637	8.5
299.09250	4.6
299.12692	2.5
309.11267	14.7
313.10715	5.1
327.12271	63.3
328.12592	4.4
345.13376	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1333
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
55.01869	2.7
55.05486	2.1
57.03437	1.7
58.59958	1.2
65.03951	1.2
67.05502	19.1
69.03424	6.5
69.07061	1.6
70.47276	3.2
79.05501	3.3
81.03423	2.7
81.07053	10.8
85.02917	2.8
91.05475	4.7
93.03401	1.8
93.07056	4.4
95.04985	3.5
95.08631	6.7
97.02888	3.1
99.08087	1.6
103.05465	1.7
105.07037	1.7
107.04954	2.2
107.08598	2.3
108.97783	1.3
109.06487	4.1
109.10155	47.9
111.04480	1.5
115.05461	2.0
118.04181	1.4
119.04931	1.4
119.08593	3.2
121.06516	5.3
122.03661	3.4
125.05991	4.3
127.03915	3.5
131.04930	1.3
135.04442	1.8
137.05984	42.7
137.09610	100.0
138.09962	2.6
143.04912	3.3
146.03644	2.3
147.04359	1.4
149.06010	6.3
151.03970	1.6
151.07526	2.6
153.05495	2.9
153.06860	1.4
155.10660	5.4
160.05162	2.1
161.05984	29.3
163.07613	2.0
165.07050	12.2
165.09114	77.0
166.09518	3.1
167.08589	2.5
175.07581	4.6
178.07777	2.8
179.07031	3.4
179.08545	3.5
181.06537	3.4
182.07269	7.6
183.07993	1.2
183.10159	5.6
188.04704	5.0
191.07036	4.0
193.06490	14.9
194.07185	2.3
195.08032	1.6
196.08853	2.3
197.09651	2.8
199.07521	2.6
201.11136	5.9
203.07056	13.2
207.08118	4.3
209.05928	1.5
210.06741	16.8
211.07513	3.9
221.05978	26.4
221.07953	1.5
222.06589	2.4
223.07368	1.6
224.08282	7.7
225.09090	25.6
226.09293	1.9
227.07024	4.0
234.06717	2.8
235.07587	3.4
237.05383	1.4
238.06258	12.3
239.07030	3.7
239.10574	2.9
242.09389	1.7
244.13058	1.2
249.09076	3.9
251.06998	3.0
252.07848	4.6
253.08591	47.8
254.09131	4.4
255.06561	5.8
265.08575	1.7
266.09192	1.3
267.10138	13.4
268.10648	1.3
270.08893	7.5
271.09036	1.6
277.08566	6.7
280.07507	2.4
281.08160	2.3
285.11212	90.8
286.11627	5.2
294.08905	2.7
295.09631	7.8
299.12631	1.6
303.08591	1.9
309.11127	15.3
313.10602	9.4
327.12244	63.7
328.12631	4.4
345.13132	5.8
359.56577	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1332
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
55.01871	1.8
65.03937	1.1
67.85185	1.1
69.03418	1.5
69.06239	11.1
73.02908	3.1
79.05504	2.2
81.07066	1.9
91.05486	4.0
93.03404	1.4
93.07024	1.5
94.87360	1.2
95.04971	1.7
95.08630	1.2
97.02888	1.1
97.08785	1.0
98.22633	2.3
103.05441	2.1
105.07061	2.0
105.99399	1.0
107.04951	2.0
109.06480	1.4
111.04452	2.1
115.05452	2.7
115.90895	0.9
121.06502	3.3
122.03619	2.2
123.04387	1.2
125.06005	2.1
126.32979	0.9
131.04948	2.6
133.06499	2.3
135.08020	1.2
137.05972	39.5
138.06276	2.0
139.03903	1.4
143.04950	4.8
146.03592	3.1
147.08038	1.7
149.05992	8.6
151.03912	6.0
151.07547	3.4
152.06308	1.5
153.05466	5.9
153.06807	1.8
154.07735	2.2
160.05298	1.2
161.04597	1.5
161.05968	29.5
163.07562	5.1
165.07024	15.3
165.09073	1.3
167.07121	1.3
167.08578	3.2
175.07590	4.7
178.99573	1.2
179.07104	2.6
179.08569	4.6
181.06517	4.9
182.07251	9.9
188.04669	7.3
191.07027	4.8
193.06488	15.1
194.07147	1.9
195.08087	3.4
196.08873	2.4
197.09657	3.0
199.07561	3.0
203.07039	17.2
205.08556	1.8
207.08058	5.8
209.06079	2.5
210.06758	19.3
211.07475	5.0
213.09079	1.8
220.05254	1.5
221.05998	28.3
221.08034	2.4
222.06459	2.3
223.07562	1.8
224.08325	6.0
225.05658	1.7
225.09097	34.5
226.09633	2.0
227.07088	7.9
234.06781	2.2
235.07658	3.6
237.05582	2.2
238.06230	15.4
239.06973	4.6
239.10571	2.1
241.08673	2.8
242.09311	2.3
249.09174	3.0
251.07027	3.3
252.07867	6.0
253.08594	53.5
254.09120	4.7
255.06490	9.2
258.08896	1.2
263.06741	1.6
266.09421	1.2
267.10172	14.7
268.10529	1.4
269.08081	1.9
270.08832	11.2
273.11133	1.8
277.08603	5.5
280.07245	3.0
281.08069	9.6
281.11282	2.1
282.08685	2.6
285.11203	100.0
286.11432	7.9
294.08954	3.2
295.09659	7.6
298.08426	1.3
299.09113	3.7
299.12759	3.3
309.11218	13.5
310.11462	1.5
312.09976	1.2
313.10672	7.8
327.12250	67.4
328.12576	5.0
345.06091	1.8
345.13403	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61335	1.7
55.01851	1.7
55.05524	3.0
65.03933	6.0
68.02691	2.7
69.07063	3.9
70.19868	3.7
70.20269	5.5
71.05046	2.3
79.05482	4.7
81.03364	2.8
81.07080	3.4
91.05487	7.9
93.03431	3.9
93.07061	2.0
95.08581	2.6
96.02113	13.5
103.05451	5.3
105.07064	5.0
107.04959	5.3
111.04449	42.8
115.05471	3.4
115.07603	3.3
119.04903	2.2
119.08585	2.3
123.04475	4.4
128.06192	2.8
129.06969	4.4
131.04929	7.0
133.02837	3.1
137.05984	24.8
139.03912	5.9
141.07004	5.6
145.06496	3.5
147.04369	3.0
147.08000	2.9
148.05150	2.3
149.06006	2.5
150.06747	4.0
151.03920	4.2
151.07530	11.3
152.06226	6.2
152.10721	8.2
153.05531	5.4
153.07013	10.0
154.07727	3.1
155.04884	2.8
155.08546	4.0
157.06496	4.2
159.08051	3.2
161.05952	6.9
162.06757	4.8
163.07510	5.7
165.05576	4.4
165.07021	13.4
165.09152	6.1
167.03418	4.5
167.07195	2.7
167.08559	8.7
168.05667	5.0
169.06531	9.7
169.10211	3.4
170.07205	2.2
170.54710	2.1
171.08003	3.2
175.07594	4.7
176.70517	1.9
177.06998	3.7
178.07767	9.7
179.08501	12.9
181.06522	17.3
181.10147	3.2
182.07256	6.8
183.04431	5.8
183.08055	8.5
184.05212	2.1
185.05940	5.6
189.06985	5.3
189.09097	2.6
190.07675	2.4
191.07082	2.8
191.08611	3.2
193.06477	3.5
193.10172	4.8
195.08069	18.2
196.05171	5.6
196.08665	2.4
197.05991	22.7
197.09560	5.5
198.06728	6.5
199.07512	4.3
203.08614	4.9
205.06548	10.2
206.07304	12.8
207.04501	3.1
207.08124	17.9
208.05200	2.5
208.08742	3.0
209.06007	9.9
209.09666	5.1
210.06760	10.7
211.04031	3.5
211.07529	27.9
212.04619	2.4
212.08267	20.8
213.05510	5.8
213.09061	5.6
215.07025	5.8
217.06549	5.3
218.07358	2.9
219.07945	2.8
221.06041	7.6
221.09622	14.5
222.06772	2.4
223.04030	2.6
223.07509	19.6
224.04617	3.2
224.08214	8.8
225.05504	19.6
225.09093	16.8
226.06253	11.8
227.06982	14.4
228.04185	2.4
229.08609	5.2
230.09369	2.9
231.08017	3.4
233.06081	5.9
234.06715	17.7
235.03961	2.3
235.07487	22.7
236.08134	4.6
237.05450	13.5
237.09122	6.5
238.06186	8.7
238.09926	7.3
239.03313	3.2
239.07011	33.3
239.10645	11.1
240.07773	7.4
241.04971	4.0
241.08585	20.4
242.09258	3.6
243.06529	17.2
248.08559	2.6
249.09114	22.7
250.06195	3.1
251.06999	28.3
252.04169	3.5
252.07733	11.1
253.04955	9.2
253.08609	54.1
254.05690	9.3
254.09145	4.7
255.06467	17.2
256.07285	14.5
256.10931	18.6
257.07922	6.1
257.11179	2.2
259.09644	12.7
263.07031	23.2
264.07611	4.1
265.08630	10.4
266.05719	3.9
266.09329	5.7
267.06598	17.4
267.10178	43.7
268.07040	3.1
268.10706	2.7
269.05023	4.0
269.08081	58.5
270.08719	7.5
271.06006	20.4
271.09613	7.4
277.08624	23.1
279.06589	3.7
280.07294	8.1
281.08102	100.0
281.11176	3.9
282.08636	6.0
283.05978	12.9
283.09567	9.1
284.06799	9.7
284.10101	3.3
285.07513	9.3
285.11160	7.9
286.08374	23.7
287.08810	2.5
289.14310	6.7
291.20859	2.5
294.08893	3.4
295.09637	66.1
295.12930	3.2
296.10110	4.2
296.73914	2.4
297.07602	6.2
298.08295	7.3
299.09134	36.9
299.12708	7.1
301.14450	3.8
309.11334	5.0
312.09927	24.2
313.10651	43.4
314.11194	6.1
315.12207	2.6
327.12225	11.7
345.13345	33.5
346.13855	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1334
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
53.03955	1.7
55.01864	3.2
55.05507	11.5
57.03434	3.7
65.03938	5.1
67.05514	11.7
69.07071	13.4
69.24245	3.8
69.24657	5.6
71.04993	1.7
79.01841	1.4
79.05510	4.8
79.06999	1.6
81.07066	14.5
83.05022	2.1
83.08629	5.1
91.05496	5.2
93.03423	2.3
93.07045	5.3
95.04948	2.0
95.08591	12.2
96.02113	4.3
97.06525	2.5
97.10208	2.5
105.07062	3.5
107.01315	1.8
107.04964	4.8
107.08588	4.1
109.10163	5.8
111.04451	24.7
111.05196	1.9
119.08585	2.6
121.06534	2.0
121.10148	5.1
123.04440	2.1
123.11744	2.0
128.06212	1.8
129.07004	4.0
131.08652	1.8
133.10152	3.3
135.11700	3.5
137.02330	1.5
137.06015	3.8
139.03897	17.1
141.07014	2.0
144.05743	2.5
145.06471	3.6
147.04527	1.4
147.11732	2.7
151.07581	1.7
152.06204	3.2
153.05533	3.8
153.06987	4.2
155.04927	2.1
157.06502	4.7
159.04463	1.8
159.08020	6.7
160.08810	3.2
161.06010	4.9
161.09642	4.5
162.06737	1.7
165.07039	6.3
167.03442	6.4
167.08498	2.2
168.05708	5.3
169.06512	4.3
171.08084	2.0
173.05995	2.5
175.07585	2.0
178.07808	4.0
179.08490	7.2
181.06502	8.0
182.07208	3.7
183.08041	4.2
185.06004	5.4
185.09663	2.8
187.07591	4.6
188.08307	9.7
189.07037	1.7
189.09106	4.1
191.08574	1.5
195.08078	6.4
196.05235	4.3
196.08862	2.9
197.06009	5.7
197.09587	2.9
198.06755	20.5
199.07529	5.9
200.08371	4.1
205.06674	1.5
206.07266	2.0
207.08037	6.0
208.08861	2.7
209.06029	4.1
209.09631	2.5
210.06747	4.5
211.07552	9.2
211.11201	4.5
212.08148	2.4
213.05470	6.3
213.09149	4.6
217.19597	2.7
219.08112	2.0
221.09639	2.2
222.10426	2.5
223.07564	7.4
224.04878	2.5
224.08380	6.3
225.05396	3.1
225.09120	4.1
226.06142	6.9
227.07014	4.5
228.07849	5.0
234.06726	2.0
235.07527	5.7
235.20729	1.8
237.05577	2.5
237.09013	2.4
238.06148	4.3
238.09837	10.0
239.07028	20.0
239.10599	15.8
240.07832	13.2
241.05029	3.0
241.08607	16.2
243.06512	12.4
249.09193	5.6
251.06984	4.4
252.07907	5.5
253.04861	1.5
253.08595	10.6
253.12306	5.1
253.21718	1.6
254.05879	2.4
255.06485	2.5
255.10486	2.0
256.07288	15.3
256.10959	3.3
257.07947	2.8
258.08780	2.9
263.07141	1.7
264.07687	2.0
267.06647	5.1
267.10220	30.4
268.07364	20.9
268.10425	2.3
269.08081	30.0
270.08682	2.2
271.06122	1.6
271.09668	7.0
271.13315	6.0
281.08157	5.3
281.11774	4.8
283.05920	1.8
284.06970	3.8
284.10434	8.6
285.11246	3.7
286.08313	7.5
295.09622	9.2
296.10431	12.7
299.09201	100.0
299.12729	18.9
300.09576	6.3
302.17523	5.2
309.11264	3.5
312.10043	2.3
313.10715	23.9
314.11389	4.6
317.13947	2.7
327.12274	77.7
327.25287	6.3
328.12631	5.2
345.13293	33.8
345.17249	2.3
345.26306	4.4
346.13644	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	1.1
61.56984	0.6
61.61647	0.6
67.05456	2.0
67.76991	0.6
71.29983	0.7
71.30358	0.7
79.05444	0.6
81.03378	1.3
81.07036	0.9
83.04958	1.1
88.07629	0.7
91.05460	1.4
92.04196	0.6
93.07018	1.3
95.08615	3.7
105.06988	1.0
107.08556	0.9
111.04394	0.9
116.55959	0.8
119.08553	1.2
121.06449	1.3
121.10126	1.1
123.08022	1.2
128.06203	0.8
129.07001	1.5
131.08577	1.0
133.10072	2.3
141.06940	1.1
143.04874	0.9
143.08517	0.9
145.10077	1.6
152.06178	2.2
153.07013	3.2
154.07735	3.4
155.08490	1.7
157.06470	1.0
157.10052	1.1
159.08104	0.8
159.11617	1.2
161.09665	0.9
165.05688	1.1
165.07002	11.6
166.07692	2.7
167.08588	4.0
168.05740	1.0
169.06473	1.3
169.10094	1.4
171.04323	1.0
171.08083	3.1
171.11514	0.8
178.07695	1.4
179.08542	3.5
181.06477	5.4
182.07271	30.2
183.07799	2.7
184.05211	1.6
185.05933	1.7
185.09602	1.1
185.13210	1.5
186.06677	0.7
187.11182	2.2
189.12683	0.8
192.05685	1.5
193.06366	1.7
194.07292	1.5
195.08069	5.1
196.08740	4.5
197.05911	2.2
197.09605	16.8
198.06770	0.9
198.09970	1.0
199.03888	3.1
199.07549	16.1
200.08080	1.0
201.12567	0.6
205.12256	1.2
207.07962	1.6
208.05156	1.1
209.05847	4.9
210.06750	35.3
211.07478	5.7
212.04643	0.8
212.08253	2.5
213.05505	1.1
213.09053	2.3
213.12744	1.3
214.06169	1.2
214.09836	1.0
215.07037	1.7
220.05252	1.8
221.05905	1.2
222.06744	4.1
223.03911	1.8
223.07494	5.0
223.13916	0.7
224.08276	6.2
225.09090	71.0
226.06175	3.0
226.09538	5.4
227.07031	29.7
227.10449	1.3
227.14287	1.0
228.07716	6.0
231.13783	2.6
235.07515	2.9
236.04753	1.2
236.08214	1.1
237.05431	5.7
237.09113	1.5
238.06235	22.5
239.06931	6.1
239.10577	0.8
240.04207	1.4
240.07697	2.0
241.05154	1.0
241.08417	3.6
242.09361	12.2
243.09995	2.5
244.07224	0.7
251.07034	3.9
252.04108	1.2
252.07771	12.4
253.08582	70.8
254.05951	1.6
254.09111	8.0
255.06511	18.6
255.09618	1.0
256.07187	5.4
256.10782	0.9
257.04443	0.9
257.11731	3.7
266.05765	8.8
267.06522	14.1
267.10138	6.1
268.07080	3.1
269.08115	4.9
270.08862	25.5
271.09457	5.7
272.06860	5.2
279.06815	0.8
280.07315	2.9
281.08066	100.0
282.08704	19.1
283.05963	8.0
283.09253	2.4
284.06604	1.8
284.10443	0.9
285.07901	1.0
285.11188	22.0
286.11557	1.1
287.09152	5.4
297.07535	1.4
298.08359	18.5
299.09082	16.3
300.09698	1.4
313.10681	91.5
314.11313	17.1
315.08560	6.9
315.11716	1.2
327.19601	4.9
330.10913	9.0
345.13315	44.7
345.20740	3.7
346.13760	4.3
346.33173	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.8
66.14110	0.5
67.05492	0.9
69.07072	0.9
71.29034	1.1
79.05498	0.6
81.07047	1.4
91.05470	1.0
93.07025	1.3
95.08585	1.6
97.06516	0.7
103.05489	0.8
105.07005	2.2
107.04938	1.8
107.08575	1.6
109.10162	1.0
115.05461	0.9
117.07037	0.8
121.10126	0.8
128.06226	0.7
129.07008	1.3
131.04944	0.7
135.08063	0.8
137.05989	1.5
137.09567	0.7
139.05492	0.6
141.06966	1.0
143.04904	0.9
147.07939	0.7
147.11697	0.7
151.03848	1.1
152.06175	1.7
153.06992	2.5
154.07745	2.4
155.08514	1.2
157.06357	0.7
157.10139	0.6
158.07199	0.6
159.08009	0.8
163.07570	1.0
164.14796	0.5
165.06998	7.6
166.07744	2.0
167.08568	2.9
169.06456	0.8
169.10109	1.7
171.04373	1.5
171.08064	3.5
175.07549	0.8
177.06995	0.7
178.07851	0.9
178.09900	2.1
179.08531	3.6
181.06465	5.1
182.07260	26.3
183.07959	2.9
184.05252	1.4
185.05951	0.8
185.09677	0.7
186.06667	0.7
191.07118	0.7
191.88118	0.6
192.05765	1.3
193.06459	1.8
193.10307	0.6
194.07228	2.0
195.08049	5.5
196.08862	3.0
197.06049	1.3
197.09642	11.7
198.06802	1.0
198.10092	0.9
199.03920	4.8
199.07542	16.4
200.08104	1.1
203.10617	0.9
206.07343	0.6
207.08139	1.7
208.05154	0.7
209.05959	3.2
209.09534	0.9
210.06747	29.0
211.07408	4.9
212.04855	0.6
212.08310	1.9
213.05309	0.7
213.09076	2.4
214.06253	2.2
214.09908	0.8
220.05180	0.7
221.05957	1.3
222.06721	4.5
223.03908	2.9
223.07542	3.5
224.04662	0.7
224.08302	4.6
225.09091	49.0
226.06218	1.3
226.09625	4.6
227.07010	31.5
228.07735	4.6
229.04988	1.1
235.07567	2.4
237.05418	4.9
237.09142	1.3
238.06239	21.3
239.06944	6.4
240.04263	0.7
240.07834	1.6
241.04860	0.7
241.08539	4.6
242.09354	14.0
243.10098	1.9
244.07257	1.1
251.07097	4.0
252.04118	1.2
252.07811	8.8
253.08589	55.0
254.05782	0.8
254.09129	5.5
255.06523	15.8
255.10280	0.8
256.07159	4.3
256.10965	0.8
257.04437	1.3
257.07629	0.8
257.11743	3.2
266.05728	10.1
267.06494	10.8
267.10126	5.5
268.07117	1.6
269.08060	4.2
270.08859	20.5
271.06796	0.8
271.09412	4.6
272.06802	7.3
280.07315	2.7
281.08072	100.0
282.08676	14.9
283.06015	7.1
283.09479	2.0
284.06711	1.1
285.11197	18.4
286.11429	0.9
287.09106	6.7
295.09848	0.7
297.07599	1.9
298.08331	22.2
299.05716	0.9
299.09058	8.6
302.17487	3.5
313.10693	59.9
314.11243	9.1
315.08658	6.8
315.12042	1.0
327.12622	0.6
327.19479	1.0
330.10956	11.7
331.11224	1.1
345.13312	35.2
345.20383	1.6
346.13678	3.3
346.20050	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58712	0.7
53.03929	0.7
53.80124	0.6
55.01834	0.8
55.05472	1.8
59.88787	0.7
67.05508	3.7
69.00150	7.6
69.03445	0.6
69.07021	1.2
70.01469	0.6
71.04977	0.7
72.36076	0.6
79.05460	1.7
81.03379	3.0
81.07050	3.6
82.77564	0.6
83.04951	1.9
85.02902	1.5
91.05506	3.3
93.07040	3.9
95.04916	1.9
95.08612	7.3
97.06479	0.8
98.23427	1.4
105.07033	4.7
107.04904	1.0
107.08610	4.3
109.06470	1.9
109.10165	1.5
111.04389	1.1
111.08043	1.3
115.05455	1.3
117.06963	1.4
119.08584	5.2
121.06477	1.4
121.10076	2.3
123.04414	1.0
123.08023	2.8
125.05956	0.6
125.77279	0.7
128.06183	1.7
129.06992	1.4
130.07799	0.7
131.04887	2.0
131.08574	3.3
131.09381	0.7
133.10138	3.4
135.08012	1.7
137.05946	2.6
139.05515	0.6
141.06972	1.4
143.04878	1.1
143.08514	3.0
145.06404	1.9
145.10127	4.2
147.07950	1.6
147.11642	2.4
149.09557	1.0
151.07454	0.9
152.06183	1.5
153.05432	1.2
153.06982	2.1
154.07741	3.2
155.08508	2.1
157.06570	0.8
157.10060	3.0
158.07185	1.1
159.08009	2.6
159.11658	3.1
161.09573	2.2
161.13220	1.3
163.07526	0.9
165.06985	7.0
166.07719	2.1
167.04880	0.9
167.08575	3.5
169.06485	1.2
169.10095	2.9
171.04378	1.8
171.08035	3.3
171.11630	3.0
173.09595	2.9
173.13193	0.9
175.11169	1.2
175.14836	0.8
177.12651	0.6
178.07726	1.6
179.08603	3.4
181.06454	5.4
182.07277	23.5
183.07848	2.7
183.11523	0.8
184.05162	1.8
185.05908	1.5
185.09558	2.0
185.13246	1.7
187.11148	2.5
189.12708	3.0
191.10629	0.7
192.05717	1.6
193.06441	1.1
194.07315	1.8
195.08092	5.1
195.11626	1.0
196.08789	2.9
197.05963	1.6
197.09616	12.4
197.13210	1.3
198.06755	1.0
198.10300	0.8
199.03879	4.8
199.07539	12.9
199.11179	1.0
201.12636	0.9
203.08534	0.8
203.10567	1.1
203.14331	1.3
205.12224	3.6
207.07965	2.2
208.05135	1.2
209.05945	3.7
209.09627	0.9
209.13239	0.8
210.06749	28.0
211.07484	5.6
212.04546	0.8
212.08252	1.6
213.09076	2.6
213.12674	2.5
214.06163	2.1
214.09827	1.3
215.14191	0.7
220.05115	1.4
221.05956	1.5
222.06775	3.6
223.03847	3.0
223.07492	4.2
224.04442	0.7
224.08328	6.4
225.09103	52.9
226.09703	4.3
227.07008	31.5
227.14291	1.5
228.07629	6.1
229.05008	0.8
229.15706	1.2
231.13792	6.3
235.07501	1.5
237.05434	5.6
238.06235	21.7
239.06969	4.7
239.10703	1.0
240.04042	0.8
240.07693	2.3
241.08545	6.2
242.09343	12.3
243.09814	2.0
251.07065	4.4
252.04051	0.8
252.07780	9.8
253.08597	56.9
254.09125	5.6
255.06531	16.4
256.07166	4.7
257.08054	0.9
257.11734	3.8
266.05707	9.6
267.06497	11.9
267.10117	6.2
268.06976	1.6
269.07990	2.9
270.08850	22.2
271.09592	5.9
272.06784	5.8
274.27496	1.1
280.07257	2.6
281.08081	100.0
282.08676	15.8
283.05994	6.6
283.09332	1.7
284.06424	1.1
285.07852	1.4
285.11203	19.2
285.22040	0.8
286.11523	0.8
287.09091	6.2
297.07605	1.7
298.08350	21.9
299.09103	8.3
299.20074	1.6
309.18414	2.9
309.22058	0.7
313.10684	69.6
314.11285	12.1
315.08615	5.6
327.19562	11.1
328.19678	0.8
330.10971	12.9
331.11359	1.4
345.13333	40.9
345.17068	2.0
345.20880	10.9
346.13654	4.0
346.19882	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32526	0.4
58.97231	0.3
59.71398	0.4
69.03421	0.4
73.02916	0.4
79.05471	0.4
79.42435	0.4
82.19583	0.4
85.02912	0.4
86.09735	0.7
91.05492	0.8
93.07067	0.4
95.21159	0.4
96.01460	0.3
103.05455	0.6
106.60119	0.4
107.04943	0.5
115.05495	0.4
119.08559	0.5
121.06507	0.5
133.16199	0.3
133.22560	0.4
135.04518	0.3
137.06000	2.3
147.07999	0.4
149.06038	1.7
151.03900	3.2
151.04964	0.5
153.05576	0.5
153.06938	0.4
161.05972	0.7
163.07535	0.6
165.05487	1.1
175.07523	1.3
177.05453	0.5
179.07051	0.6
183.09970	1.7
183.13852	1.2
185.04172	0.4
187.14499	0.4
203.05334	0.9
203.07007	0.4
214.93790	0.4
221.06087	0.5
225.09143	0.5
231.04480	0.3
243.10854	0.4
253.08713	0.9
258.08878	0.5
263.33829	0.4
273.11261	0.6
285.11240	1.6
299.09039	0.7
309.64182	0.4
313.10574	0.6
327.12189	0.8
345.15207	100.0
346.15588	6.9
356.57236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
64.39381	0.3
65.83652	0.3
69.03441	0.3
70.34544	0.9
85.02914	0.7
97.02891	0.3
106.00856	0.3
111.40606	0.3
122.03606	0.3
137.05984	2.8
147.04381	0.9
148.04730	0.8
165.05455	0.4
165.08910	2.0
166.05835	0.3
183.09943	1.4
203.05319	2.8
253.08725	0.5
267.78732	0.4
287.11127	0.4
313.15067	0.6
327.14185	1.4
345.15192	100.0
346.15543	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.154
Annotation	Taxuside
Peak:m/z	Relative Intensity
53.03949	1.4
55.01862	2.1
55.05508	3.1
57.03429	2.7
61.02925	1.8
65.03927	1.3
67.05505	23.2
69.03428	9.6
69.07054	2.4
69.72800	1.4
69.73216	3.0
70.95231	0.8
71.04977	2.3
72.06813	0.7
79.05482	3.1
81.03429	4.7
81.07061	15.1
83.04984	1.4
85.02903	4.2
85.06516	1.3
91.05462	3.7
93.07041	5.7
95.04959	4.6
95.08607	10.3
97.02895	3.4
97.06543	1.4
99.04465	1.9
99.08102	0.9
103.05470	1.0
105.07027	2.3
107.04964	1.6
107.08582	6.3
109.02866	2.6
109.06490	3.5
109.10154	47.1
110.10492	2.1
113.05981	1.3
117.06963	1.0
119.08601	3.7
121.10194	1.8
123.04451	1.1
123.08071	1.2
123.11692	1.3
125.05974	2.2
125.09651	0.8
127.03918	4.0
127.07578	1.0
131.04898	1.0
131.08530	0.8
137.02341	2.3
137.05983	3.5
137.09612	100.0
137.13226	2.7
138.09947	2.7
147.08032	1.3
147.11661	3.2
151.07544	0.9
155.10654	6.5
163.07527	2.8
165.09117	69.3
165.12764	6.2
166.09431	2.1
177.09109	2.1
183.10179	4.8
183.13815	3.1
201.11211	4.3
208.13579	0.8
259.05887	0.8
267.10181	0.9
299.05463	1.6
327.14481	1.0
345.06070	10.2
345.18658	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01864	2.1
55.05510	2.2
57.03426	1.6
65.03935	0.9
67.05508	21.3
69.03427	8.5
69.07053	1.3
69.45125	0.7
71.05002	0.9
71.29675	1.4
72.24973	0.8
79.05502	2.9
81.03407	2.9
81.07051	11.6
83.04966	1.4
85.02889	2.5
86.30915	0.7
87.38966	0.6
91.05479	3.7
91.62794	0.8
93.03443	0.8
93.07050	2.8
94.04201	1.4
95.04979	3.6
95.05490	0.9
95.08610	7.8
97.02885	2.6
97.06493	1.0
99.04456	1.2
103.05468	1.1
105.07031	1.1
106.44878	0.7
107.04996	1.3
107.08581	3.0
109.02894	1.9
109.06506	2.6
109.10154	42.4
110.10498	1.1
119.08571	3.4
121.06486	1.7
122.03638	2.9
125.05990	2.0
127.03934	3.8
131.04958	1.0
133.06410	0.8
137.05986	32.3
137.09613	100.0
138.06355	1.5
138.09943	3.2
146.03587	1.0
149.05991	3.2
151.03912	1.5
153.05455	1.1
155.10718	5.3
161.05991	10.5
163.07558	1.3
165.07132	4.8
165.09116	73.6
166.09419	3.2
167.08528	1.0
175.07576	2.7
179.08589	1.8
181.06566	1.2
182.07220	1.8
183.10170	3.6
188.04726	1.8
191.06938	1.3
193.06464	4.9
194.07265	1.5
195.08104	1.6
197.09676	1.5
201.11148	4.1
203.06992	4.7
207.08008	1.8
209.05885	1.3
210.06712	6.4
211.07481	2.0
221.05994	8.1
222.06635	1.0
224.08348	2.4
225.09065	7.0
227.07034	2.1
234.06691	1.2
235.07620	1.6
238.06230	3.7
239.07030	0.9
239.10693	2.2
240.07492	0.9
249.09030	1.2
251.07109	1.2
252.07825	1.9
253.08583	14.3
253.10965	1.3
254.09026	1.8
255.06500	2.4
265.08438	1.1
267.10172	5.0
270.08847	3.4
277.08557	2.2
280.07385	1.0
281.07806	1.5
282.08835	0.8
285.08014	1.3
285.11218	26.2
286.11563	1.8
290.86728	0.8
294.08817	1.1
295.09616	2.0
298.08194	1.2
302.62320	0.8
309.11206	3.1
313.10760	4.2
327.12183	17.9
328.12564	2.1
345.13452	3.1
360.32428	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1542
Annotation	Taxuside
Peak:m/z	Relative Intensity
50.01583	0.6
53.03936	0.8
54.83595	0.7
55.01860	1.2
55.05508	1.7
57.03430	2.1
61.02925	1.1
65.03929	0.9
67.05505	22.8
69.02678	4.6
69.03120	0.5
69.03434	8.6
69.07072	0.8
79.05490	2.1
81.03433	3.0
81.07057	10.6
83.04974	0.9
85.02903	2.7
90.02363	0.7
91.05480	2.5
93.07043	3.3
95.04967	3.5
95.08604	6.0
97.02903	3.1
99.04431	0.9
99.08143	0.8
107.04989	0.9
107.08586	2.4
109.02866	2.2
109.06509	1.8
109.10155	44.7
110.10484	1.7
111.04401	1.1
115.05435	1.4
117.07005	0.8
119.08599	3.7
119.38117	0.6
121.06503	0.8
121.10146	0.7
125.05970	2.9
127.03909	4.6
137.05984	13.6
137.09610	100.0
138.06306	0.8
138.09930	4.0
147.08061	0.8
149.05992	1.3
151.03917	0.6
155.10689	7.0
161.05971	5.3
165.06920	2.8
165.09113	73.4
166.07635	0.6
166.09410	2.7
167.08499	0.7
174.72665	0.8
175.07535	0.9
179.08615	1.6
181.06458	0.7
182.07301	1.2
183.10155	5.3
191.06996	0.9
193.06470	2.6
201.11240	4.4
203.06963	2.7
207.08092	1.1
209.05910	0.9
210.06709	3.8
221.05930	4.0
225.09082	4.9
227.06911	0.7
237.09106	0.7
238.06209	3.2
239.06940	1.1
241.08342	0.8
252.07831	1.4
253.08630	9.2
254.08961	1.2
255.06438	0.6
267.10172	2.0
267.21527	0.7
270.08472	0.9
277.08603	1.6
281.08087	0.6
281.11716	0.6
285.11221	16.1
286.11563	2.0
295.09537	1.4
309.11169	1.9
313.10663	2.4
327.12021	9.0
328.12494	1.1
345.13464	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1695
Annotation	Oleiferin F
Peak:m/z	Relative Intensity
53.03941	0.8
54.23801	0.4
55.01882	0.8
55.05481	0.5
65.03934	4.3
67.05488	1.2
69.03415	0.6
69.07056	0.8
70.51839	0.8
72.74368	0.4
75.29240	0.4
79.05502	3.5
81.07051	1.5
88.02376	0.4
90.98192	0.4
91.05480	6.8
93.03404	4.2
93.07051	1.4
94.04185	1.7
95.04955	1.3
95.08595	0.8
103.05468	8.5
105.04436	0.4
105.07027	22.2
106.07343	0.5
107.04964	3.4
107.08609	0.8
109.06487	2.1
110.03655	1.2
111.04441	7.9
115.05442	2.1
115.51944	0.4
117.07025	3.3
119.04931	4.3
119.08608	1.0
119.40245	0.4
121.06491	0.8
121.10226	0.6
122.03656	6.1
124.05196	0.9
125.05999	8.9
128.06227	3.3
129.07022	0.8
131.04924	4.8
131.08540	2.1
133.06491	16.9
133.10046	0.6
134.06825	0.4
135.04396	0.5
135.08047	0.9
136.05186	0.5
137.05975	100.0
138.06317	2.9
141.05420	0.6
143.04955	0.7
143.08559	5.4
144.08853	0.5
145.06488	4.6
145.10100	1.1
146.07248	0.4
147.04407	0.9
147.08047	1.4
148.05176	1.2
149.06038	0.9
151.03911	25.6
151.04982	2.0
151.07538	19.8
151.08771	0.8
152.04279	0.5
153.05463	18.2
154.05818	0.8
155.08611	0.6
157.06532	0.6
157.10129	0.8
159.08046	3.7
159.11717	0.6
160.05299	0.5
160.08870	0.7
161.05975	0.8
161.09592	0.7
162.06763	2.5
163.07558	7.0
165.09111	28.7
166.09489	1.0
169.10175	0.8
171.08041	5.7
172.08820	0.6
173.06000	0.8
175.07561	9.2
175.11227	0.9
177.09097	5.5
179.10637	0.5
181.08606	3.2
181.10030	0.6
188.08328	5.2
189.09108	0.8
191.10704	2.3
193.08598	0.5
195.09990	0.4
202.07841	0.5
203.10677	17.9
204.10986	1.1
211.14853	0.7
221.11722	33.0
222.11998	1.1
224.08240	0.5
227.07266	0.5
235.07567	0.5
239.10751	0.6
249.16237	0.4
253.08551	0.7
263.10748	0.9
267.10068	1.0
272.07129	0.4
281.18799	0.4
295.13254	1.6
299.09323	0.5
299.12701	1.8
299.16016	0.5
313.10736	0.9
327.15936	2.3
327.19275	0.8
345.13312	1.4
345.16968	3.4
345.20728	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	1.7
70.17293	1.8
70.17641	4.5
71.28557	1.4
73.73083	1.5
79.05498	2.7
86.54484	1.7
91.05478	5.6
93.07047	2.8
95.04980	3.2
98.22601	1.5
103.05466	15.9
105.07039	2.2
107.04964	4.5
111.25298	1.9
115.05486	3.0
117.07034	5.9
119.04953	2.3
121.06548	3.6
122.03680	4.6
123.08073	4.2
128.06253	1.9
131.04918	17.9
133.06491	2.2
135.07993	1.8
137.05969	46.4
138.06313	2.6
141.09555	1.5
143.08629	2.9
145.06538	2.8
151.03908	1.7
151.07544	14.9
152.80200	1.6
161.06012	2.2
162.06783	2.8
163.07555	37.1
164.07951	1.7
171.08051	1.9
175.07591	8.5
177.09108	100.0
178.09477	3.3
179.08580	2.2
191.07082	3.3
195.10214	7.6
203.10736	5.9
221.11784	3.4
235.07602	1.5
237.05481	1.7
239.06854	2.5
267.06610	1.7
267.10098	2.1
269.08136	2.3
271.09958	1.5
299.09109	3.4
299.12708	4.7
313.10693	6.7
345.13089	3.6
345.16803	2.2
345.20538	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1696
Annotation	Laxiflorin J
Peak:m/z	Relative Intensity
53.57927	1.1
69.41680	6.2
69.42079	2.8
79.05473	3.5
81.07074	2.9
91.05473	5.3
93.07052	3.0
94.04171	1.1
95.04971	1.7
95.08597	2.0
98.66177	1.1
103.05482	11.6
105.07037	3.4
107.08604	2.8
108.50544	1.2
109.06625	1.2
111.04405	1.2
115.05482	2.6
117.07012	5.3
119.04974	1.8
119.08599	1.7
121.06480	3.2
122.03694	3.3
123.08068	2.7
131.04918	16.7
131.08565	2.6
133.06462	1.6
135.08037	1.9
137.05974	40.1
143.08580	3.5
145.06529	1.9
145.10164	2.0
147.04396	1.4
147.08037	2.0
147.11681	1.5
150.40205	1.1
151.03868	7.5
151.07545	13.2
151.87715	1.1
153.05428	1.7
155.08435	1.4
159.11745	1.2
162.06737	3.7
163.06239	2.4
163.07545	34.0
164.07867	1.5
169.10088	1.6
171.28793	1.3
175.07549	7.4
177.09111	100.0
178.09511	3.3
183.11734	1.3
195.08377	1.4
195.10144	6.6
203.10645	3.8
221.11716	4.1
249.65302	1.1
299.12704	3.2
302.17343	2.9
309.18466	1.5
327.19543	3.1
343.95001	1.2
345.16791	1.8
345.20596	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1698
Annotation	Laxiflorin J
Peak:m/z	Relative Intensity
53.03945	3.2
63.03141	2.0
63.17312	1.8
65.03940	3.2
67.05518	2.1
67.87184	2.1
71.31592	3.9
71.31966	2.5
74.68890	2.0
79.05501	5.0
83.04949	2.3
85.61011	2.0
88.57668	1.9
91.05486	24.8
93.07051	3.5
94.04189	3.2
95.04957	5.4
100.53352	2.2
103.05470	55.2
104.99273	3.4
105.07029	17.8
107.04938	14.7
109.06506	6.7
111.12003	2.2
115.05439	13.0
115.56664	2.1
117.07027	21.7
119.04893	10.4
119.08606	4.6
121.06517	5.6
122.03679	6.1
123.08093	2.7
128.06230	17.3
129.07082	2.6
131.04927	34.4
131.08575	2.7
132.05646	4.9
133.06477	11.2
135.08046	6.0
137.05984	100.0
137.07048	5.0
138.06311	3.6
140.47308	2.3
143.04958	4.0
143.08559	19.9
145.06482	24.6
146.07265	6.3
147.04414	3.8
147.08055	8.8
148.05199	9.5
149.06007	2.4
149.09613	3.5
151.03937	6.3
151.07559	48.1
153.06970	2.4
157.90025	2.0
159.08069	2.4
160.05180	7.5
160.08786	3.2
161.06013	5.3
161.09642	8.0
162.06731	11.6
163.07555	60.1
164.08096	2.5
165.07050	4.1
165.09138	37.8
170.07217	2.2
171.08080	19.1
173.06084	2.8
175.07552	81.2
175.11154	12.9
176.07950	2.9
177.09120	27.7
179.08531	3.1
179.10728	9.2
181.06485	3.3
183.08078	3.3
184.05249	3.7
185.05942	2.7
187.07565	2.9
188.08366	12.9
189.09044	4.0
191.10704	2.7
194.07382	2.5
195.08072	3.8
195.10168	3.7
197.05980	3.7
198.06677	2.3
199.07562	8.3
203.10677	67.6
203.12503	4.6
204.11044	4.1
209.05861	4.1
210.06847	4.7
211.07523	17.9
212.07988	3.0
213.05376	3.2
213.09113	6.2
221.06053	2.2
221.11749	15.1
223.07353	3.3
224.08150	3.4
225.05460	2.6
225.09128	6.0
226.06378	6.6
227.07059	23.1
228.07771	10.2
234.67451	2.2
235.07463	6.0
235.11240	2.6
236.04596	1.9
237.05357	4.6
237.09053	2.8
238.06105	5.3
239.04800	2.5
239.06920	12.9
239.10757	4.6
241.05005	4.1
241.08588	9.0
242.09398	4.6
244.07108	2.3
251.06944	4.2
252.07813	5.0
253.04907	2.4
253.08582	13.9
254.05785	3.6
254.09332	11.3
255.06523	24.8
255.10045	3.8
256.07272	9.8
257.04425	3.4
257.08127	2.4
266.09232	3.4
267.06543	49.9
267.10153	11.5
267.13617	3.5
268.07159	6.0
269.04871	2.0
269.08038	13.5
270.08783	20.7
271.06143	3.5
271.09607	10.6
272.06793	7.9
281.08139	8.5
281.11493	5.0
282.08875	61.9
282.11932	3.4
283.06027	12.8
283.09454	9.0
284.10382	4.9
285.07562	5.5
285.11206	15.6
286.11838	3.8
287.09329	11.0
287.12177	2.7
296.10458	2.4
297.07712	3.2
298.08389	34.8
298.11880	5.5
299.09119	44.0
299.12772	21.1
300.06335	3.2
300.09680	5.7
301.10623	2.8
301.14395	3.5
313.10687	76.7
313.13486	3.0
314.11383	48.2
315.08588	19.9
315.12183	10.2
316.09143	3.0
327.15961	8.3
330.11008	22.3
331.11618	4.3
345.13300	66.5
345.17050	24.1
346.13846	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30809	1.7
55.01880	2.3
65.03931	3.9
67.35461	1.5
79.05489	2.8
81.03387	2.3
81.07050	2.0
82.21558	1.5
91.05470	5.8
93.07053	2.4
93.88052	1.9
94.04175	2.4
95.04949	2.0
98.22620	3.6
103.05474	12.3
105.07021	3.5
107.04955	3.5
107.95803	1.5
109.06522	2.3
111.04435	3.2
115.05454	3.4
117.07017	8.7
119.04944	4.1
121.06470	3.5
122.03614	4.7
123.04466	2.9
123.08079	3.6
128.06224	2.0
131.04932	18.7
133.06549	2.0
135.08063	2.3
136.07538	2.1
137.05986	59.6
139.03873	2.4
143.08498	2.9
145.06491	3.7
147.04430	2.0
149.05960	2.2
151.03937	8.3
151.07544	16.8
153.05460	1.6
161.05975	4.0
162.06679	2.9
163.07549	34.0
165.05544	2.9
165.09055	2.7
166.05013	3.2
171.08023	1.6
175.07538	7.7
177.09119	100.0
178.07768	2.5
178.09448	5.2
179.08475	1.7
191.06976	2.0
195.08315	1.8
195.10208	10.3
197.05978	2.3
203.10747	2.6
205.59373	1.5
215.43239	1.5
221.11743	6.2
225.09116	2.2
227.07037	1.9
228.71434	2.2
239.07056	2.4
239.10686	1.9
241.08719	2.3
253.08549	3.1
256.07196	1.6
267.10147	4.4
268.07275	1.7
269.07999	5.5
281.08060	1.8
284.09982	1.8
285.08554	3.8
285.11359	2.1
295.09851	2.4
299.09180	8.9
299.12827	8.2
313.10620	5.0
327.12274	6.8
345.13416	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.0
65.03930	3.8
67.05515	2.3
69.03416	4.7
71.31612	3.4
74.49481	2.2
79.05482	7.5
81.07046	3.8
81.85230	1.9
91.05487	15.8
93.07035	4.1
94.04172	3.8
95.04976	4.8
103.05475	35.2
105.07035	10.2
107.04283	2.6
107.04961	27.2
107.08596	2.3
109.06501	2.8
109.10172	2.3
111.04431	3.9
115.04726	2.1
115.05412	9.9
117.07034	13.3
119.04982	8.4
119.08582	2.9
120.08093	3.6
121.06544	11.6
121.21964	2.1
122.03631	6.2
123.04416	2.7
125.05982	2.4
128.06216	3.5
131.04924	32.2
131.08632	2.0
132.05688	2.1
133.06531	9.6
135.08078	9.9
136.07541	2.8
137.05980	100.0
137.09567	2.4
138.06316	4.5
139.03935	2.9
141.05482	2.1
143.04900	3.2
143.08574	7.9
145.06491	12.1
145.07474	2.0
146.07243	3.3
147.04401	4.9
147.08064	5.7
148.05226	2.7
149.05998	7.9
151.03918	22.0
151.07536	26.9
153.05460	4.8
160.05226	3.7
161.05969	7.1
161.09557	4.2
162.06787	7.1
163.07541	83.2
164.08260	8.9
165.05531	3.2
165.06979	5.6
165.09109	16.2
166.22546	2.0
167.07138	2.3
167.08607	2.6
171.08069	7.1
175.07547	49.8
175.08963	3.8
175.11208	6.7
177.07553	4.7
177.09114	99.4
177.36812	2.1
178.07950	2.3
178.09433	4.3
181.06429	3.2
181.08612	6.1
183.08054	3.1
188.08304	3.0
189.09044	3.8
191.07019	4.2
193.08403	2.3
195.08066	2.8
195.10159	7.2
197.05855	2.5
203.07004	4.5
203.10663	27.4
207.08121	4.5
210.06516	2.4
211.07521	4.3
221.06088	2.2
221.11696	15.8
223.07608	3.4
224.08336	4.5
225.05719	2.2
225.09143	2.7
225.40988	2.0
226.06149	2.9
227.07036	2.6
228.07382	2.1
235.07535	2.9
238.06148	2.3
239.07085	11.9
241.08450	3.2
243.06508	5.2
249.09100	2.9
253.08592	3.9
253.12305	2.7
255.06483	2.0
255.10153	3.3
259.91812	2.2
265.08359	3.4
266.09137	2.4
267.10141	5.1
267.14020	2.2
268.10831	2.3
268.13547	1.9
269.08127	4.4
270.08533	2.8
281.11755	6.5
285.11163	10.9
295.09631	3.5
299.09161	8.9
299.12778	10.0
301.14160	3.3
313.10730	13.1
313.13950	3.0
327.08768	2.9
327.12283	9.9
327.15805	3.1
345.06192	2.5
345.09714	3.8
345.13324	17.5
345.16946	4.4
346.13812	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01865	0.9
55.05507	1.7
56.76897	0.7
61.32101	0.8
63.71101	0.9
66.04738	0.7
67.05509	2.4
69.03423	0.9
69.07063	1.4
71.29093	1.4
79.05489	3.6
81.07050	4.8
83.04981	1.0
88.83579	0.7
91.05487	6.0
93.07029	2.8
94.04192	5.2
94.19954	0.7
95.04987	1.5
95.08621	3.3
97.06535	1.8
103.05459	9.7
104.11661	0.8
105.07017	7.1
107.04964	3.5
107.08596	2.6
109.06522	1.9
109.10142	2.2
111.04449	1.3
115.05416	1.4
117.07014	2.3
119.04961	1.9
119.08588	2.6
121.06512	4.7
121.10123	1.4
122.03644	10.3
123.04471	1.4
123.08130	1.1
123.11668	0.7
128.06256	1.3
129.07005	1.7
131.04932	10.9
131.08560	2.2
133.06496	16.9
133.10112	1.5
135.04428	1.1
135.08037	7.3
136.05220	1.1
136.46538	0.8
137.05977	100.0
138.06334	3.3
139.07202	0.8
143.04927	1.4
143.08545	1.8
145.06500	3.5
145.10193	1.0
146.03653	1.0
147.08057	1.8
149.06007	2.6
151.03856	1.5
151.07532	5.0
153.07036	0.9
154.07802	1.0
155.06004	0.9
157.06483	1.6
157.10184	0.8
159.08054	0.8
159.11652	1.0
161.05977	6.9
161.09601	1.1
163.07542	26.2
165.07014	3.3
165.09077	1.7
169.10165	1.7
171.08023	2.0
171.11708	1.2
175.07574	3.6
176.07066	5.9
176.10738	7.6
177.09145	2.0
177.11475	1.6
178.07785	0.9
179.07047	1.3
179.08548	1.9
181.06482	0.9
181.10037	1.0
182.07304	2.3
183.11760	1.2
188.04759	1.0
189.09131	2.9
193.06506	3.8
193.10106	1.0
203.07031	3.7
203.10681	1.3
204.10205	2.6
205.10919	6.0
207.08081	1.8
210.06779	4.5
211.07599	1.2
221.05981	5.9
222.06587	1.0
224.08246	1.5
225.09076	8.8
227.07042	1.6
235.07457	1.2
235.11050	1.0
237.05464	0.9
238.06308	3.5
239.07013	1.3
239.10745	1.2
240.08037	0.8
249.09053	1.0
252.07901	1.4
253.08601	11.8
254.09065	1.6
255.06310	1.2
267.10077	4.2
270.08875	2.4
273.13477	0.8
277.08636	1.3
281.08099	1.1
285.11218	23.7
286.04852	1.6
286.11609	1.7
287.05331	1.7
295.09653	2.7
295.13120	1.9
302.14008	1.5
302.17496	27.5
309.11246	3.6
313.10803	1.9
327.04959	1.2
327.12302	14.3
327.15759	1.1
327.19498	1.8
328.12799	1.2
345.06235	1.2
345.13602	3.2
345.18390	4.5
345.21295	1.0
346.20169	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.206
Annotation	Stizophyllin
Peak:m/z	Relative Intensity
53.03952	2.6
55.01868	2.3
55.05516	12.5
57.03433	2.8
58.34890	1.6
65.03942	1.6
67.05186	1.8
67.05515	29.4
69.03425	5.3
69.07073	5.5
71.04996	5.6
71.30982	2.4
77.03924	1.8
79.05090	2.2
79.05486	13.1
81.03422	20.3
81.07058	22.9
83.04981	19.9
83.08619	1.6
85.02905	7.9
85.06559	1.8
91.05477	18.5
93.07048	30.6
95.04977	13.5
95.08611	82.7
96.08901	2.1
97.06526	4.9
99.04461	5.9
105.07031	32.4
107.04972	3.1
107.08603	22.1
108.63583	1.7
109.06527	10.4
109.10153	6.1
111.04419	13.6
111.08072	7.4
113.05982	3.1
117.07024	8.8
119.08590	40.6
121.06499	12.4
121.10175	12.2
123.08070	27.1
123.11697	1.7
125.06023	1.8
125.09665	2.0
128.06226	3.9
129.07010	7.3
130.07819	2.1
131.08566	18.8
132.33643	1.7
133.06525	3.3
133.10135	30.5
135.08051	10.8
135.11691	4.3
137.06082	2.0
137.09619	2.1
139.07526	7.1
141.06938	3.7
141.09093	4.3
142.07845	7.7
143.08556	23.0
144.09346	3.6
145.06483	6.2
145.10132	36.2
146.07298	2.8
147.08052	10.4
147.11713	13.3
149.09644	8.0
149.13268	1.7
151.07520	7.6
155.08578	5.3
156.09395	7.7
157.10143	22.5
158.10893	2.7
159.08078	13.7
159.11693	26.4
160.08833	3.7
161.09654	19.4
161.13229	8.7
163.07567	2.2
163.11208	3.8
165.07022	3.7
165.09120	2.9
167.08565	5.3
168.09351	3.1
169.10147	13.7
170.10915	6.3
171.08054	6.6
171.11682	23.8
172.08868	5.4
172.12189	2.0
173.09624	11.4
173.13251	8.9
175.11217	9.7
175.14801	4.5
177.09119	3.1
177.12752	2.5
179.08521	3.5
180.09253	1.7
181.10112	5.9
183.11751	8.4
185.09639	13.9
185.13226	20.9
187.11180	31.5
187.14848	2.5
188.11577	2.3
189.12752	21.8
193.10207	3.8
194.10786	3.1
195.11790	8.9
196.12500	1.5
197.09549	4.7
197.13304	6.6
199.11201	9.5
199.14841	5.2
201.12788	6.2
203.08788	2.1
203.10574	7.5
203.14322	12.8
204.09248	1.9
204.25873	1.5
205.10278	2.9
205.12181	14.4
206.10960	2.7
207.11681	6.0
209.09598	1.9
209.13289	7.4
211.11227	3.6
211.14879	5.1
213.12767	28.2
214.13205	2.8
215.14319	3.7
217.10393	2.1
217.12288	5.6
218.10933	2.8
219.11702	7.0
221.13219	5.1
223.11189	3.3
223.14764	3.3
225.12776	6.5
225.16356	2.6
227.14340	10.1
229.12317	2.0
231.11772	2.9
231.13791	62.5
232.12321	3.2
233.13286	5.1
233.15433	2.4
235.11224	2.1
237.12752	4.3
237.16473	1.8
239.14369	2.2
241.10135	2.5
241.15871	2.3
243.11649	3.2
243.13838	2.4
245.13133	2.5
245.15395	4.9
246.13844	2.4
247.10860	1.7
247.14926	3.6
249.12737	3.8
249.16412	4.5
251.14389	5.0
253.15715	2.6
253.19518	2.6
255.17375	2.3
259.11307	2.4
259.14774	3.5
260.11819	1.7
261.12744	2.7
261.16461	2.8
263.14536	2.8
263.17926	3.1
265.15924	4.8
267.17407	2.7
269.13086	2.3
271.14658	2.5
273.12634	3.1
273.16403	3.0
274.13611	2.1
275.14307	3.2
275.17770	1.9
281.19077	8.5
283.17090	3.2
285.16205	3.7
287.14349	3.9
289.15778	4.2
291.17456	8.7
299.20233	12.3
302.16589	2.8
303.17453	8.6
303.20959	3.0
309.18457	23.6
317.19159	4.0
327.19568	92.0
328.19855	8.5
330.20016	2.6
331.20609	5.8
345.20898	100.0
346.23288	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2062
Annotation	Stizophyllin
Peak:m/z	Relative Intensity
51.00592	2.7
53.03954	4.4
55.01867	3.2
55.05518	15.1
66.27692	2.7
67.05500	18.7
69.03429	4.0
69.06797	23.5
70.06618	3.9
76.94711	2.6
79.05507	21.4
81.03426	23.3
81.07064	22.3
83.04987	53.9
85.02925	15.0
88.07638	6.3
91.05486	24.3
93.07050	28.4
95.04977	8.7
95.08615	30.1
97.06546	4.2
99.04459	4.7
105.07031	30.3
107.08599	32.7
109.06521	36.9
109.10149	5.5
111.04452	33.3
111.08072	7.4
113.87469	2.3
117.07019	9.1
119.08582	27.5
121.06514	7.4
121.10170	10.7
123.08082	11.0
125.06001	3.5
128.06277	3.9
129.07031	8.0
131.08560	21.6
132.10228	5.1
133.06526	3.3
133.10147	21.8
135.08075	9.1
135.11722	9.8
137.06047	3.3
139.07515	4.0
141.07016	4.8
142.07806	8.8
143.08571	28.5
144.09320	4.0
145.06474	9.1
145.10115	35.1
146.10928	3.0
147.08058	7.5
147.11716	12.4
149.09636	5.5
150.11308	3.5
151.07520	4.1
152.07050	2.5
154.42313	2.5
155.08557	8.5
156.09351	9.9
157.06516	3.2
157.10120	22.7
157.52078	2.4
158.10912	2.9
159.08073	38.5
159.11732	21.4
161.09637	18.0
161.13213	3.6
163.11230	3.4
165.06905	2.5
167.08580	5.7
169.10123	21.0
170.10994	5.1
170.12518	2.5
171.08072	4.4
171.11676	39.2
172.08829	6.3
172.12199	4.6
173.09662	14.4
173.13275	18.4
175.11234	8.1
177.09125	3.3
178.07788	2.7
181.10129	7.8
182.10953	4.9
183.11739	10.5
184.12506	6.9
185.09613	8.0
185.13268	11.6
187.11198	67.9
188.11679	5.0
189.12769	14.0
194.10861	4.0
195.11655	16.7
197.09586	4.5
197.13254	11.7
198.10414	4.8
199.11115	12.1
199.14833	28.5
201.12772	14.2
205.12268	8.8
207.11746	7.8
209.09779	3.7
209.13257	13.4
210.14001	7.9
211.11195	5.3
211.14801	7.2
212.11879	3.5
213.12769	15.6
215.14302	11.6
217.15872	5.2
219.11743	3.4
219.13834	5.7
221.13246	6.9
223.11182	3.2
225.12720	5.2
227.14273	27.5
228.15074	34.5
229.15768	7.1
231.11716	5.2
231.13889	8.9
233.15390	3.6
235.14861	4.2
237.16301	3.2
245.15404	23.3
247.14925	3.9
249.12683	3.7
251.14174	3.6
253.15967	3.6
262.09714	3.1
263.17938	4.3
265.15900	6.4
272.11954	3.0
281.18997	8.2
283.17078	3.4
291.17477	6.7
302.16626	4.0
303.13766	3.1
303.17300	5.6
309.18488	34.5
327.19537	100.0
328.19885	7.9
345.21280	28.3
346.22601	4.8
346.33200	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2423
Annotation	(+/-)-10-HDoHE
Peak:m/z	Relative Intensity
52.79180	2.4
53.03954	5.9
55.01875	7.1
55.05512	12.3
57.07078	3.3
66.18159	2.6
67.05504	37.2
69.07079	15.1
69.34601	13.5
71.04990	3.4
75.12922	3.1
75.13327	2.9
79.05490	27.4
81.07054	52.4
83.04971	4.9
83.08627	7.1
85.06532	3.0
91.05482	24.5
92.85284	2.8
93.07050	72.6
95.04981	3.0
95.08610	100.0
97.02920	3.3
97.06520	4.6
97.10186	3.3
105.07041	45.4
105.07687	5.4
107.04971	8.7
107.08590	40.7
109.06531	7.3
109.10145	25.6
111.08083	8.9
113.09647	3.0
113.79908	2.8
117.07020	10.0
119.08580	44.6
121.06512	10.1
121.10136	40.1
123.08043	5.7
123.11707	6.9
125.09668	3.1
128.06171	4.1
129.06990	12.0
130.07736	3.2
131.08586	22.1
133.06500	6.9
133.10126	29.3
135.08072	10.2
135.11691	25.3
137.06004	5.4
137.09653	6.0
139.07581	6.7
139.11192	6.9
141.06950	5.7
142.07803	4.6
143.08540	16.5
145.06474	6.2
145.10097	31.6
147.07033	3.1
147.08046	16.7
147.11667	32.3
149.09619	3.5
149.13278	11.8
151.07605	4.1
155.08525	8.9
157.06499	3.2
157.10101	21.1
158.10803	3.1
159.08083	7.5
159.11723	17.2
161.05983	5.2
161.09666	19.0
161.13272	22.1
163.07585	3.3
163.14879	3.1
165.09085	4.1
167.08611	4.8
169.10124	7.2
171.08072	9.4
171.11710	15.4
173.09605	6.1
173.13246	19.8
175.07536	3.7
175.11240	6.3
175.14783	6.2
179.10690	7.2
179.14381	4.8
181.10164	3.7
183.04485	3.0
183.08148	3.6
183.11684	6.7
185.09659	4.6
185.13287	14.2
187.11230	7.4
187.14896	8.8
189.12807	12.8
189.16428	6.9
191.14343	4.6
196.12386	3.8
197.06084	5.7
197.09622	3.3
197.13335	8.6
199.07562	4.8
199.11276	4.8
199.14804	15.7
201.12776	6.8
201.16425	5.9
203.10721	4.5
205.12247	4.0
207.11765	3.5
207.13843	4.3
209.13266	7.1
211.14845	3.9
212.08321	3.1
213.05507	6.9
213.12807	7.3
213.16408	3.2
214.06250	3.0
215.14333	4.1
217.12267	3.9
219.11803	4.2
223.14937	4.7
225.05576	4.2
225.16393	6.8
226.06293	5.5
227.07010	6.3
227.14392	10.6
229.08517	5.8
230.05919	3.1
231.13780	6.7
233.15430	4.0
239.07156	7.2
241.04944	8.9
242.05682	4.3
243.06514	5.9
245.08020	4.0
245.13274	3.5
245.15334	14.4
247.11249	3.3
255.06508	6.8
256.07346	5.7
257.04453	4.2
257.05621	3.5
257.08093	25.0
261.12762	6.2
267.06613	4.8
267.17355	3.4
269.08051	4.4
270.05157	5.6
271.06143	6.0
271.09656	11.0
272.07532	3.8
272.10526	10.5
273.07590	20.0
281.07852	3.5
281.22653	9.1
282.08740	7.0
283.05853	4.5
285.07587	25.7
285.16315	4.3
285.22116	3.9
286.04706	3.8
287.09082	8.4
288.09970	7.2
288.15012	4.8
289.15698	4.0
291.21399	4.2
297.07556	5.3
299.05539	8.9
299.09012	4.1
299.23773	12.1
300.06613	5.1
300.09802	22.6
301.07108	13.3
302.16580	4.0
303.12299	4.0
303.17380	12.4
309.22226	12.0
314.11099	3.3
315.05176	4.1
315.08588	18.8
315.12311	37.2
316.09436	16.8
317.18881	3.4
327.19702	3.5
327.23209	41.7
330.10873	11.3
331.11755	58.7
345.09619	23.9
345.13354	40.3
345.21878	28.0
345.24268	31.3
346.10254	3.7
346.14075	97.5
346.22879	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
54.37879	1.8
55.01851	3.2
55.05508	26.8
55.78920	2.1
57.03431	4.3
57.07075	8.6
59.04992	3.7
59.99717	1.9
64.71576	1.8
67.05500	32.1
69.03419	3.7
69.07066	50.0
71.05000	5.4
71.08634	2.3
71.30476	2.1
73.06546	2.5
79.05479	13.9
81.07053	100.0
83.08621	21.9
85.06541	15.7
91.05492	8.1
93.07043	27.5
95.04951	3.0
95.08607	69.0
96.08919	1.9
97.06491	10.6
97.10147	9.0
99.08080	7.2
105.07050	10.7
107.04920	4.1
107.08595	27.8
109.06535	2.4
109.10159	32.9
111.04439	6.7
111.08083	18.4
111.11720	12.6
113.09673	2.7
116.21146	1.9
117.07024	2.8
119.08585	6.2
121.10136	17.6
123.11693	30.8
125.09587	3.0
125.13255	3.5
127.11164	2.4
133.10147	7.3
135.11687	13.4
137.06018	4.3
137.13229	25.1
138.13580	2.4
139.03929	2.4
139.11096	1.9
145.10097	2.4
147.11734	5.6
149.13249	24.5
151.14757	2.6
153.12761	10.7
155.14296	5.2
157.10133	2.0
159.11754	2.6
160.08705	2.1
161.05916	2.5
161.13258	3.2
163.14850	3.1
165.12744	2.5
167.14360	2.6
171.13727	2.3
173.15341	2.2
175.14745	2.3
176.07149	2.3
177.16380	2.4
178.07726	2.1
179.08481	2.9
183.25427	1.8
187.14775	2.0
188.08368	3.0
198.06744	2.7
199.07536	2.8
203.10632	1.8
209.05803	2.2
211.07498	3.7
213.09152	2.1
217.19514	7.6
220.48143	1.9
223.22131	2.1
224.08234	2.6
226.06403	2.2
227.07088	2.6
235.20560	5.5
239.06999	3.5
239.10733	2.9
240.07809	2.5
241.08636	2.7
243.06746	3.1
244.06848	2.0
251.36171	2.0
253.08711	4.8
253.21750	2.5
256.07367	3.8
267.10178	5.6
268.07278	3.8
269.08127	6.9
291.26898	6.7
295.09750	2.8
296.10446	2.3
297.27881	3.3
299.09177	19.7
299.12408	3.8
309.24557	3.1
309.27774	11.5
313.10657	8.3
327.04135	2.0
327.12363	11.8
327.15674	2.9
327.25217	6.6
327.28867	3.7
345.05994	1.9
345.13470	12.2
345.20743	2.7
345.26581	3.3
346.13675	2.9
346.20581	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21217	0.3
68.36220	0.3
69.30531	2.1
70.71242	0.3
89.27828	0.3
98.22545	0.4
128.06186	0.3
152.06218	0.4
152.70363	0.3
153.07008	0.8
157.06520	0.6
165.07010	0.9
168.05724	0.6
169.06482	2.4
171.08099	0.4
174.06804	0.3
181.06511	1.1
182.07309	0.6
183.04391	0.8
183.08047	1.2
184.05222	0.5
185.05983	2.4
185.50687	0.3
186.06783	0.9
187.07526	0.8
195.04402	0.4
196.05188	1.0
197.05986	5.9
198.06757	3.7
199.03893	0.9
199.07541	2.5
200.04773	0.4
200.08119	0.6
201.05396	0.6
201.09187	0.9
202.06253	1.4
209.05946	1.0
210.06744	1.1
211.03865	0.7
211.07552	3.3
212.04712	0.8
212.08273	1.8
213.05495	5.2
213.09100	0.7
214.06230	6.3
215.03404	0.5
215.06953	1.6
217.08640	1.5
218.09001	0.3
223.07719	0.4
224.04727	1.1
224.08401	1.0
225.05470	3.6
225.08986	0.7
226.06233	1.7
226.09775	0.6
227.07008	4.9
228.07744	2.9
229.04898	0.7
229.08577	6.0
230.05750	4.0
237.05394	0.5
238.06247	0.7
239.03264	0.4
239.06995	4.2
240.04181	1.1
240.07813	2.7
241.04956	8.5
241.08571	3.8
242.05760	4.5
242.09337	2.3
243.06497	4.7
243.10208	1.6
244.07208	0.7
244.10744	0.4
245.08080	7.3
246.08379	0.5
252.04253	0.4
252.07809	0.7
253.04994	1.0
253.08598	1.6
254.05504	0.6
254.09245	1.4
255.02820	0.4
255.03619	0.5
255.06514	6.0
256.07272	4.5
257.08078	27.8
258.05661	2.2
258.08536	2.9
259.05930	0.8
267.06534	5.0
268.03619	1.0
268.07193	0.9
269.04425	1.3
269.08096	3.5
270.05237	3.3
270.08817	1.4
271.02502	0.9
271.06027	2.5
271.09644	9.3
272.06223	0.4
272.07062	0.5
272.10431	15.4
273.07593	19.7
273.10730	1.4
274.08109	1.6
282.08875	6.6
283.06018	3.1
283.09430	1.2
284.06750	1.3
285.07584	26.3
285.10791	0.9
286.04733	1.9
286.08173	3.5
287.05588	0.8
287.09140	1.3
288.09888	10.5
289.10260	0.7
298.08167	1.9
299.09091	1.6
300.09924	27.8
301.07050	12.6
301.10532	4.7
302.07739	2.0
302.11020	0.6
303.12250	4.5
313.10507	0.3
315.12262	38.2
316.06577	0.3
316.09375	17.6
316.12839	4.9
317.10049	4.4
331.11758	53.4
332.12436	15.2
345.13193	0.3
346.14096	100.0
347.14496	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
57.03453	0.9
63.10355	0.8
69.03436	3.6
71.32185	0.7
73.02892	0.7
77.03901	0.7
79.05496	13.5
81.03409	0.9
85.02908	14.2
91.03956	0.9
97.02908	3.7
103.05468	3.2
105.06993	1.1
107.04959	100.0
108.05318	2.0
109.02869	0.9
114.17054	0.7
127.03930	2.6
130.68073	0.7
131.04927	20.7
141.92599	0.7
145.04971	2.9
149.05986	40.5
149.09621	9.0
150.06302	0.8
163.06017	0.9
173.06114	1.1
180.08755	1.5
215.07050	0.7
233.08276	0.7
256.23099	0.7
309.44479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	3.7
55.01868	3.7
57.03429	6.1
61.01151	3.1
61.02919	12.6
67.05485	2.2
69.03432	22.2
69.07053	2.1
71.30489	3.4
72.04520	4.8
73.02917	6.8
81.03413	9.3
83.04982	7.4
84.08157	3.0
85.02906	100.0
86.03232	2.5
86.09700	3.8
87.04465	2.5
88.02221	5.9
91.03971	5.5
91.05463	3.4
93.07082	3.4
95.04968	2.6
97.02899	28.9
98.97595	7.9
99.04488	5.1
99.05585	8.5
107.04957	76.4
109.02889	8.9
116.05817	2.1
119.04935	3.4
121.06520	6.0
125.06007	5.4
127.03909	17.7
132.04803	5.0
137.05988	6.0
142.08627	6.6
143.07007	5.9
145.04948	31.5
147.04431	7.8
147.08054	5.9
148.04753	3.0
149.04973	4.0
149.05995	28.6
151.03882	12.2
152.04204	5.1
153.06909	2.1
158.99651	4.3
159.05885	10.2
161.22391	2.4
163.06018	2.7
165.05515	3.0
167.07133	13.1
173.05978	3.0
175.07559	4.0
177.00648	3.0
180.08698	14.0
183.06276	13.2
184.06612	13.2
184.09712	7.3
185.08025	4.3
186.04643	2.9
207.10213	4.1
215.07034	5.4
233.08202	5.8
241.08594	3.6
246.18881	2.2
252.66415	2.6
257.08038	3.8
261.12708	2.4
283.09674	3.7
284.27054	2.7
299.09113	3.0
301.12549	10.3
303.13733	21.8
330.12521	5.2
346.11734	21.5
346.15326	2.4
347.12863	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
55.01867	3.1
57.03427	6.4
61.02914	10.0
69.03429	23.3
71.03935	3.0
71.05001	1.9
73.02919	2.8
76.82961	1.8
81.03416	9.7
84.04434	2.2
85.02905	100.0
86.09705	4.6
87.04452	2.0
91.03960	6.7
97.02905	28.0
99.04443	4.6
107.04952	75.5
109.02880	10.8
121.06511	4.3
127.03926	22.3
137.05992	4.3
145.04961	36.7
147.04414	3.6
148.04785	2.5
149.05975	27.0
163.06108	4.2
167.05762	2.5
167.07008	9.8
173.06018	4.1
180.08600	12.1
184.09615	2.3
185.07838	2.3
215.07019	6.1
233.07990	4.6
297.94046	1.9
301.12561	11.2
347.12936	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01868	3.4
57.03419	5.5
60.04518	3.3
61.02919	9.2
69.03432	18.2
70.56041	2.4
70.56378	2.0
71.04974	2.4
73.02911	4.5
79.05490	4.9
81.03413	6.4
85.02902	100.0
86.03246	2.1
87.04460	2.4
91.03970	8.1
93.07033	2.3
97.02889	26.7
99.04460	3.2
103.05462	15.4
107.04977	2.0
109.02876	6.2
112.98167	1.3
121.06503	79.7
122.06818	2.0
127.03912	23.3
131.04936	2.4
137.05904	1.7
139.07582	2.1
145.04945	37.2
146.08429	1.2
149.05965	3.0
152.57614	1.5
163.06024	8.4
167.07042	7.3
179.36453	1.3
184.09718	3.6
218.98734	1.4
255.76910	1.3
264.81241	1.4
346.25607	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.0
60.04498	4.3
61.02906	2.0
67.05507	3.0
69.03434	6.8
71.29343	2.9
79.05501	16.7
81.03426	3.2
81.07061	4.5
85.02905	21.5
91.05515	4.6
93.07032	2.3
97.02875	5.8
103.05486	4.5
105.07014	4.5
107.04955	100.0
109.10155	4.4
110.10490	2.2
116.73959	2.1
121.06512	2.0
124.07614	9.7
127.03897	2.7
131.04939	22.7
131.08566	50.9
132.08926	4.2
137.05956	4.9
145.04951	4.3
149.05986	42.1
149.09608	10.3
159.08308	2.1
167.10678	2.4
183.06354	10.9
184.06622	11.1
184.09627	10.8
302.17633	3.7
328.12708	2.8
346.11627	12.1
346.20395	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
55.05523	1.5
57.03437	2.1
61.02925	1.8
67.05518	1.6
69.03434	5.4
69.69563	3.2
79.05489	1.7
85.02905	20.7
90.59572	0.9
91.03953	1.1
91.05479	2.3
93.07037	1.5
95.04935	1.0
95.08600	1.5
97.02901	3.9
99.04459	1.5
107.04953	100.0
107.08593	1.9
108.05293	3.9
109.02914	2.0
117.07047	1.1
121.06518	1.7
121.10221	1.3
127.03889	3.5
131.04929	1.9
132.23993	1.0
137.05992	3.4
138.09149	2.8
144.04443	2.0
145.04948	2.5
145.06450	2.3
149.05969	4.6
149.09615	19.8
150.96927	1.1
151.03864	6.6
151.07561	3.4
157.06372	1.5
162.05472	8.3
162.06573	0.9
163.05986	1.8
167.07074	1.3
167.10680	1.3
169.06543	1.0
170.06329	2.0
173.06001	2.4
177.05405	1.2
177.09064	5.7
181.74646	1.0
182.07121	1.3
185.06316	1.2
185.09601	1.8
185.11696	1.2
187.14474	1.5
190.04991	8.7
195.10220	4.7
226.77611	1.1
260.09393	1.1
265.39716	1.0
283.09854	2.4
283.12726	1.2
311.12866	1.2
329.13882	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	21.0
67.05502	62.6
69.03421	5.4
69.07069	17.6
69.08948	45.2
72.79041	5.5
79.05489	14.6
80.36990	4.6
81.07052	23.9
83.08607	7.5
91.05481	16.2
93.07047	13.7
95.08620	19.1
97.10146	11.5
98.23348	12.0
105.06984	12.0
107.04948	5.9
107.08592	29.1
109.10149	62.8
117.07033	4.9
119.08595	9.4
125.09645	8.7
131.08601	9.2
133.10121	7.4
135.08070	11.9
145.10132	4.8
147.11647	5.5
149.09650	9.2
155.10643	23.3
173.11739	100.0
173.13135	9.4
189.11281	14.3
206.99330	5.3
275.20102	22.8
293.21210	11.9
346.13605	5.6
347.07660	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	4.7
71.14365	6.3
82.99840	3.6
84.08118	3.3
85.02889	4.0
97.02853	5.5
98.97619	3.3
99.13472	3.1
101.00880	11.6
113.00852	4.7
119.01927	15.1
131.01884	11.0
133.03534	2.6
143.01881	12.8
145.03439	9.5
151.70117	2.5
155.01849	9.9
157.03296	6.8
159.04994	9.5
161.02914	13.4
169.03490	5.3
171.05011	4.1
173.02962	8.3
175.04523	3.1
177.00938	3.6
183.04878	3.4
185.02965	7.6
187.04440	4.5
192.23961	2.7
201.06027	3.3
203.00697	5.8
203.04066	14.1
215.04068	3.5
217.02046	4.9
219.01820	3.3
221.05005	9.9
227.03893	7.5
229.05533	3.9
245.01834	10.9
245.05060	18.5
257.01740	6.5
259.06522	4.6
263.02713	3.2
265.04004	4.1
275.02808	4.3
285.08130	10.3
287.06009	4.1
303.09152	10.8
305.07117	5.8
347.07361	100.0
348.07516	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	4.4
69.03436	4.9
69.46472	21.6
85.02913	6.8
94.45727	3.8
97.02888	5.5
101.00894	38.1
102.12820	3.9
107.80067	3.4
112.33186	4.0
113.00904	6.8
114.62565	4.9
116.71076	3.8
119.01929	42.7
121.02882	12.6
131.01894	9.0
137.02937	4.6
139.02391	4.1
143.01912	100.0
144.02010	6.6
144.65823	4.8
145.03419	7.2
153.03961	5.5
155.01901	12.9
157.03499	4.7
161.02975	93.0
169.03545	8.9
171.05037	7.6
173.03046	7.4
179.01846	5.5
185.02940	6.8
185.06511	5.2
193.03323	4.2
195.04999	5.5
197.02975	14.0
203.02072	6.8
203.03966	52.5
204.04213	7.9
211.04555	6.0
215.04106	6.0
221.02972	13.7
221.05040	11.5
239.04018	9.7
245.05164	5.4
257.02182	6.4
257.05090	36.1
275.06168	47.4
276.06314	6.1
279.72711	4.0
287.09729	14.4
305.10944	7.5
306.07498	4.2
347.07101	99.8
348.10803	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0737
Annotation	Limocitrin
Peak:m/z	Relative Intensity
55.95452	5.0
69.34834	4.8
70.84767	11.8
117.28468	5.8
137.05949	6.4
139.00861	5.3
139.08455	7.2
185.02104	22.8
249.89589	5.8
347.07504	100.0
347.12244	11.2
347.16385	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0761
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
53.03945	0.3
55.01869	0.4
55.05521	0.3
57.03436	0.3
65.03931	1.1
67.05499	1.5
68.99788	1.6
69.03431	0.4
70.20143	0.9
72.46539	0.2
79.05484	0.9
81.03406	0.3
81.07044	1.4
85.02895	1.2
91.05457	0.4
92.02597	0.3
93.03392	0.8
95.01333	0.3
95.04964	0.8
97.02898	0.3
99.04407	0.3
105.03397	0.9
105.07018	0.4
105.83817	0.3
106.04164	0.4
107.04957	0.9
107.08591	1.4
109.02870	0.9
109.06520	1.9
109.10152	14.3
110.03658	0.7
111.00808	0.9
111.04427	1.2
111.08039	0.3
115.05463	0.3
117.07017	0.4
119.04954	0.3
120.37675	0.2
121.02865	2.9
123.04400	0.5
123.08071	0.4
123.11700	1.2
125.05939	0.5
126.03139	0.3
128.06212	0.3
133.02827	0.9
133.10115	0.5
135.04449	0.3
137.02322	2.8
137.05962	1.2
138.03111	0.7
139.03899	6.2
145.06526	0.3
147.04396	0.8
148.01512	0.3
149.02391	0.3
149.05998	0.4
150.03107	1.2
151.03857	1.4
151.07590	0.3
151.11169	3.9
152.01070	0.4
153.01826	14.3
153.05457	8.9
154.06194	1.1
157.06485	0.9
161.06027	0.3
162.03177	0.3
162.56961	0.2
163.03905	0.7
163.07533	0.3
165.01845	4.4
165.05573	0.5
166.02600	0.5
167.07022	0.6
169.12204	1.9
171.04431	0.5
173.06004	0.4
175.03944	0.2
177.05453	0.5
178.02620	0.6
179.03333	0.5
179.06883	0.3
181.04942	2.8
183.02843	1.4
183.04251	0.3
183.12447	0.2
185.05940	0.8
187.03943	0.5
188.04555	0.4
189.05507	0.3
192.04187	0.4
193.05028	0.3
194.02144	0.8
195.02762	0.3
197.06075	0.3
199.03915	0.3
201.05463	1.2
203.03363	0.5
205.04929	0.7
207.02910	0.5
207.06497	1.4
212.04718	0.4
213.05476	2.1
216.04103	1.9
217.04922	0.9
219.02879	0.6
227.03377	0.6
228.04149	0.4
229.04936	5.7
230.05685	2.2
231.06525	2.0
232.03577	0.3
233.04521	1.2
241.04951	1.8
243.02892	2.0
244.03671	3.5
245.04518	1.2
247.02383	0.4
255.02844	1.2
256.03589	0.3
257.04407	3.3
257.07089	0.3
257.08069	0.2
258.05212	10.5
259.06003	4.2
260.03308	0.5
260.06299	0.5
261.03937	1.1
269.04446	2.9
272.03122	1.1
273.03903	1.0
274.04700	0.5
283.02365	1.1
284.03116	0.7
285.03943	4.2
286.04684	8.7
287.05472	14.7
288.05826	0.9
289.03452	1.9
291.08606	2.8
297.03778	0.6
300.02533	0.8
301.03394	1.0
302.04233	0.9
303.04984	6.4
303.08447	0.3
304.05511	0.8
313.03329	2.1
314.04211	2.1
315.04968	4.5
316.05322	0.6
317.02893	1.0
318.03775	0.4
318.07388	0.8
331.04468	10.7
332.05130	3.7
347.07596	100.0
348.07922	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.076
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
59.77605	0.2
65.03941	0.4
66.02070	0.3
67.01870	0.4
68.99800	1.3
69.03431	0.4
69.15101	0.3
69.61474	1.3
79.05494	0.6
81.03427	0.4
91.05473	0.4
92.02583	0.5
92.66521	0.3
93.03412	0.7
100.37039	0.3
103.05462	0.3
103.59719	0.3
105.03387	1.0
107.04963	1.0
109.02890	0.5
111.00815	1.0
111.04452	0.6
115.05489	0.4
120.02048	0.5
121.02863	2.3
122.03677	0.3
124.01602	0.3
125.06068	0.3
126.03185	0.3
129.07085	0.3
133.02850	0.6
134.03676	0.5
135.04431	0.4
135.81776	0.2
137.02338	2.3
137.05994	0.5
138.03104	0.5
139.03903	6.8
145.06412	0.4
147.04414	0.8
150.03120	1.3
151.03920	0.5
153.01826	16.5
153.05457	7.0
154.02231	0.3
154.06226	1.5
157.06464	0.6
163.03889	0.8
165.01839	4.8
166.02643	0.5
167.07063	0.5
171.04396	0.4
173.06046	0.3
175.03995	0.3
177.05460	0.3
178.02628	0.8
179.03375	0.6
181.04939	2.7
183.02962	1.3
183.04305	0.3
183.60550	0.3
185.06030	0.6
187.03833	0.5
188.04643	0.3
191.03363	0.4
192.04137	0.5
194.02142	0.7
199.03899	0.4
201.05460	1.1
203.03433	0.4
203.07068	0.3
205.05025	0.4
207.02911	0.4
207.06552	1.4
212.04695	0.5
213.05417	1.7
216.04181	2.0
217.04948	0.8
219.02890	0.7
227.03377	0.3
229.04956	5.2
230.05696	2.5
231.06569	1.5
232.03743	0.4
233.04466	0.9
240.04185	0.4
241.04903	2.0
243.02896	2.2
244.03654	3.9
245.04366	0.8
255.02901	1.1
256.03574	0.4
257.04416	3.7
258.05237	11.7
259.05978	5.1
260.03391	0.4
260.06287	0.3
261.03937	1.2
269.04456	2.9
271.02621	0.3
271.05875	0.4
272.03070	1.3
273.03928	0.8
274.04663	0.5
283.02399	1.0
284.03122	1.1
285.03909	3.9
286.04730	9.9
287.05475	15.7
288.05963	1.2
289.03412	1.6
291.08578	2.5
297.03922	0.4
300.02551	1.3
301.03445	0.6
302.04172	0.8
303.04977	6.8
304.05627	0.6
313.03302	1.9
314.04172	2.1
315.05005	5.0
316.05701	0.8
317.02859	0.7
318.07401	0.8
331.04495	10.2
332.05191	3.6
333.06027	0.4
347.07605	100.0
348.07950	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0759
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
51.45337	0.3
62.19571	0.3
65.03946	0.5
68.99789	1.7
69.03442	0.3
69.66824	2.1
72.50698	0.4
79.05486	0.9
81.03458	0.4
93.03398	0.4
98.23296	0.5
104.70872	0.4
105.03425	0.8
107.04944	0.9
109.02907	0.7
110.03682	0.4
111.00804	0.9
111.04446	0.8
115.05471	0.4
117.07044	0.4
119.04942	0.5
120.02071	0.4
121.02865	2.2
123.04491	0.4
126.03258	0.5
128.06261	0.4
133.02870	0.8
137.02318	2.7
137.06035	0.5
139.03903	6.6
145.06454	0.5
147.04393	0.5
149.02380	0.5
150.03148	1.3
151.03978	0.6
153.01830	15.6
153.05476	7.2
154.06197	1.1
161.05992	0.5
163.03877	1.0
165.01871	4.9
166.02525	0.8
167.07062	0.6
171.04332	0.5
178.02608	0.4
179.03413	0.5
181.04918	2.5
183.02884	1.4
185.05965	0.6
187.03896	0.7
189.05373	0.4
191.03392	0.7
194.02122	1.0
200.04599	0.6
201.05498	1.1
202.06117	0.5
203.03563	0.4
203.06960	0.6
205.04918	0.6
207.03017	0.5
207.06554	1.3
213.05470	2.2
216.04262	1.9
219.02847	0.7
227.03609	0.6
229.04962	4.5
230.05684	2.6
231.06477	1.3
232.03574	0.6
233.04503	1.0
233.34357	0.4
240.04097	0.4
241.05035	1.3
243.02879	1.6
244.03670	3.6
245.04456	0.9
247.02429	0.5
255.02940	0.8
257.04437	3.5
258.05240	12.1
259.05978	5.4
261.03943	1.1
269.04440	3.4
272.03189	1.4
273.04102	0.5
274.04861	0.6
283.02393	1.4
284.03183	1.1
285.03961	4.6
286.04700	10.2
287.05463	15.8
288.05988	0.7
289.03311	1.8
291.08710	2.7
297.03864	0.8
300.02609	0.5
301.03516	1.5
302.04413	0.9
303.04990	6.9
304.05554	0.7
313.03397	1.5
314.04230	2.6
315.04968	5.4
316.05713	0.7
316.13083	0.7
317.02972	1.0
318.07391	0.9
319.08054	0.6
330.12302	0.4
331.04480	12.8
332.05206	3.6
347.07608	100.0
348.07919	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.076
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
50.07214	0.2
53.03943	0.3
55.01873	0.4
60.46068	0.2
62.59119	0.2
65.03928	0.5
66.01084	0.2
66.04698	0.2
67.01847	0.4
68.99783	1.4
69.03429	1.1
69.26399	0.2
79.05475	0.5
81.03416	0.4
81.07055	0.3
85.02879	0.2
89.27550	0.2
91.05489	0.5
92.02628	0.4
93.03407	0.4
93.07026	0.3
95.01317	0.2
95.04952	0.6
105.03390	1.0
105.07057	0.4
106.04163	0.3
107.04952	0.8
107.08572	0.3
109.02874	1.0
109.06545	0.2
109.10147	0.3
110.03635	0.3
111.00803	0.9
111.04445	0.6
115.05453	0.2
117.07027	0.3
119.04961	0.2
120.02116	0.2
121.02870	2.6
123.04402	0.5
124.05206	0.2
126.03138	0.5
128.06212	0.2
129.06998	0.3
131.08560	0.2
133.02859	0.9
134.03651	0.3
135.04410	0.7
135.11711	0.2
137.02335	2.6
137.05965	0.2
138.03099	0.6
139.03903	7.9
140.04268	0.2
145.06458	0.4
147.04401	0.8
149.02350	0.6
150.03134	1.4
151.03906	1.1
152.01038	0.4
152.04674	0.2
153.01826	16.5
153.05450	7.0
154.02205	0.4
154.06244	1.3
157.06468	0.6
161.06009	0.4
162.03183	0.3
163.03946	0.8
165.01830	4.8
165.05461	0.8
166.02560	0.6
167.07089	0.3
167.14345	0.2
171.04457	0.4
171.08037	0.2
173.05952	0.4
175.04025	0.2
177.01880	0.2
177.05499	0.2
178.02609	0.6
179.03375	0.5
181.04938	3.0
183.02914	1.9
184.03470	0.3
184.05194	0.4
185.05971	0.7
187.03909	0.4
188.04655	0.3
191.03377	0.3
192.04181	0.2
193.01353	0.2
193.05064	0.3
194.02116	0.8
199.03989	0.3
200.04698	0.5
201.05496	1.0
202.06001	0.3
203.03406	0.4
203.07062	0.4
203.71062	0.2
205.04997	0.6
207.02895	0.3
207.06503	1.8
208.62006	0.2
209.00769	0.2
212.04701	0.5
213.05507	2.0
215.03409	0.3
216.04179	2.0
217.04906	0.7
219.02910	0.6
221.04379	0.3
222.84377	0.2
227.03421	0.7
228.04181	0.7
229.04953	4.9
230.05692	2.4
231.02979	0.2
231.06485	1.6
232.03769	0.4
233.04382	0.9
239.03445	0.3
240.04262	0.3
241.04951	1.8
242.05820	0.2
243.02901	2.3
243.13837	0.3
244.03690	3.5
245.04475	1.4
247.06065	0.4
255.02876	1.1
255.09296	0.2
256.03680	0.6
257.04446	3.8
257.06998	0.1
258.05225	12.0
259.05994	4.9
261.03900	1.3
268.03616	0.2
269.04404	3.5
271.02466	0.3
271.06088	0.4
272.03220	1.0
273.03860	1.1
274.04654	0.5
275.05405	0.3
283.02405	1.0
284.03156	1.2
285.03925	4.1
286.04706	10.0
287.05472	15.8
288.05774	1.0
289.03372	1.8
291.08661	2.8
297.03888	0.6
300.02652	0.9
301.03564	1.0
302.04065	0.9
303.04965	6.3
303.16013	0.2
304.05569	0.7
313.03464	1.9
314.04181	2.1
315.04968	5.1
315.12155	0.3
316.05521	0.8
317.02826	0.9
318.03903	0.3
318.07343	0.7
329.02902	0.3
329.13144	0.2
331.04477	10.0
332.05136	4.3
332.12280	0.2
347.07599	100.0
348.07944	7.4
348.12289	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58706	0.5
58.99879	0.6
69.98473	0.8
69.98891	1.6
70.99860	1.0
82.99810	3.4
84.04495	1.9
89.00931	0.6
96.04485	1.5
97.02882	0.7
98.06046	0.7
101.00880	21.0
102.00961	1.0
106.55158	0.4
108.10892	0.4
108.21258	0.4
109.02876	0.9
113.00870	1.0
113.03487	2.7
115.02407	0.5
115.26805	0.4
115.63506	0.4
119.01919	24.4
120.02020	0.8
123.04424	2.0
126.05518	2.9
127.03870	0.5
131.01901	2.4
136.06224	0.8
137.02953	1.3
138.05499	9.3
143.01895	97.3
144.01988	5.1
144.06544	1.4
145.03416	0.8
155.01874	1.9
157.03436	0.8
161.02954	100.0
162.03082	6.7
167.93944	0.4
168.06561	2.0
169.04968	1.3
173.02977	2.0
179.04036	0.8
184.04552	1.6
185.06650	1.8
185.09184	0.7
197.06633	1.3
203.04004	49.3
204.04115	3.2
209.06537	0.5
215.06674	0.8
221.05042	1.9
222.47595	0.4
227.07613	2.9
245.02118	0.5
245.05008	0.7
263.06149	1.7
287.09726	11.5
288.09906	1.4
305.10995	1.2
347.12030	3.4
353.20139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1317
Annotation	Nordercitin
Peak:m/z	Relative Intensity
69.03442	1.5
69.07059	0.9
84.08180	0.9
85.02914	2.2
86.09736	1.0
91.05480	1.0
93.07069	0.9
97.02898	1.3
98.62533	0.6
107.08643	1.0
121.06497	0.6
123.04441	1.1
124.71419	0.7
126.01088	0.9
127.03947	0.7
128.96510	0.6
136.06235	1.0
137.05986	1.0
142.64786	0.7
145.05025	0.9
149.09648	1.4
161.02953	1.2
167.06927	1.1
167.10670	0.8
185.04306	1.5
185.07976	4.0
186.06207	0.6
195.58623	0.7
203.00060	0.8
203.05272	3.2
234.12366	1.3
234.99152	0.8
285.13086	11.7
285.21585	0.7
287.10968	2.4
301.12561	2.7
347.13156	100.0
347.16849	16.4
348.13449	4.7
348.17029	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.8
60.60061	1.3
65.10586	1.4
67.05516	2.8
68.99793	1.5
69.03423	3.2
69.07063	3.2
70.62944	1.4
71.04975	2.2
71.18611	2.1
79.05478	3.7
81.07060	4.3
85.06586	1.4
91.05476	3.5
93.07041	4.7
93.27122	1.4
95.08610	7.1
97.06577	3.0
103.05474	1.4
105.07030	5.8
107.08595	4.6
109.06487	1.7
109.10152	2.8
117.06951	1.7
119.08593	5.2
120.08085	1.5
121.06509	2.6
121.10115	3.7
125.05974	1.8
126.79993	1.3
131.08545	4.6
133.10106	3.8
135.11731	2.8
137.06012	2.8
137.09613	2.0
139.03935	5.9
143.08588	2.3
143.45796	1.3
145.10164	2.5
145.18053	1.4
147.11705	2.8
149.13248	3.0
152.06198	1.6
153.01842	2.9
153.05437	3.6
155.08495	1.9
157.06470	2.2
157.10155	2.6
159.11687	2.0
163.07478	2.2
165.05482	4.4
165.06944	1.5
165.09084	1.8
167.07092	1.7
167.08571	3.9
167.14349	2.9
169.06517	2.1
173.09619	2.1
176.07001	1.8
176.10738	3.9
177.07408	2.0
177.11067	4.6
179.08533	1.6
181.06477	3.3
182.07175	1.4
183.04420	3.4
183.08113	2.8
184.08809	2.3
185.05957	1.9
187.14980	1.6
188.20337	1.4
194.07343	3.2
195.08073	6.8
196.08813	2.7
197.05949	10.1
197.09592	2.5
198.06783	5.7
199.07596	2.9
201.09256	3.0
205.10692	3.2
206.11334	3.3
210.06741	2.1
211.07574	9.7
212.04611	1.9
212.08281	10.0
213.05603	2.2
213.09109	4.6
214.06284	3.9
215.07037	3.8
221.06059	1.6
222.06706	1.4
223.07579	5.5
224.04689	2.6
224.08218	2.0
225.05446	7.1
225.09155	2.6
226.06236	8.3
226.09982	3.6
227.07062	4.6
227.10579	8.2
228.04187	3.2
229.05046	2.2
229.08607	4.4
237.05374	2.2
239.06982	9.4
240.07864	10.6
241.08568	14.9
242.05698	8.9
243.06538	16.9
243.10278	1.8
245.04393	7.6
251.07048	3.5
252.07698	1.8
253.04985	19.5
253.08597	3.1
254.05743	10.4
254.09457	4.7
255.06451	2.5
255.07137	2.6
255.10147	35.1
256.03668	2.2
256.10867	7.2
257.04971	2.5
257.08047	26.7
257.11035	2.2
257.11569	1.8
258.05145	2.5
258.08826	13.3
259.09573	1.7
261.03900	1.5
267.06558	6.2
268.07236	6.1
269.08102	10.4
270.05328	4.6
270.08762	2.4
271.06046	14.4
271.09314	2.7
272.06888	9.4
272.10461	12.6
273.04105	6.3
273.06924	2.0
273.11252	4.7
282.08868	21.5
283.09625	34.8
284.10330	6.4
285.07614	14.6
285.11185	6.2
286.05087	2.2
286.08356	9.8
287.05551	3.9
287.09171	19.4
287.12778	8.7
288.06366	16.9
288.09445	2.8
299.09195	2.8
300.09937	28.8
301.10684	41.6
302.11099	2.8
302.17474	2.5
303.08597	32.4
303.17880	22.7
304.09085	1.8
311.19855	2.0
315.12262	100.0
316.13004	75.7
317.10162	8.0
317.13550	4.9
329.20984	2.5
331.04584	1.7
332.12546	99.3
333.12711	7.4
347.07819	20.6
347.14926	42.9
347.21198	7.6
348.08261	2.4
348.15152	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1694
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.05493	4.3
57.03442	4.0
66.68671	4.2
67.05507	22.7
69.03420	8.4
69.07044	5.2
69.28297	32.7
79.05510	10.0
81.03384	7.5
81.07048	9.4
82.45376	3.9
85.02927	23.5
89.76667	4.2
91.05480	7.5
93.07050	16.6
95.08636	5.9
97.02936	5.4
105.07005	7.2
107.04270	8.3
107.04960	100.0
107.05683	4.9
107.08595	5.7
108.05292	84.8
109.05531	20.0
110.05735	14.6
111.04463	32.7
121.10156	22.4
125.06013	8.0
137.05887	4.7
144.13997	4.6
149.05986	8.2
149.09605	10.9
153.98134	5.1
165.09171	8.4
166.09419	10.8
167.10730	63.0
191.91327	5.3
287.76343	4.5
347.12363	8.9
347.21933	8.0
352.98343	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2006
Annotation	9-Fluoro-11beta-hydroxypregna-4,16-diene-3,20-dione
Peak:m/z	Relative Intensity
53.03948	1.5
53.98835	0.5
55.01866	1.1
55.05496	2.3
67.05508	3.3
69.03412	1.0
69.07063	1.3
69.47134	2.0
69.47550	1.4
74.26931	0.6
79.05500	6.5
81.07049	5.3
83.04975	2.7
83.08620	1.0
89.03860	0.5
91.05477	11.3
93.07043	7.7
95.04974	2.3
95.08613	3.7
97.06510	0.8
98.22662	0.9
103.05453	1.1
105.07034	10.3
107.08593	5.5
109.06528	1.9
109.10139	1.2
113.08499	0.6
114.62997	0.5
115.05455	3.1
116.06252	1.1
117.07022	4.8
119.04913	0.6
119.08598	8.7
119.82559	0.7
121.06503	2.3
121.10143	2.6
122.65939	0.7
123.08055	0.6
128.06203	5.5
129.07011	7.4
130.07774	2.2
131.08565	11.4
133.06499	1.3
133.10139	6.1
135.08087	2.8
135.11723	0.7
137.05977	3.8
138.06277	0.8
141.07007	4.4
142.07777	5.4
143.08585	7.3
145.06476	1.9
145.10123	9.9
147.08044	1.1
147.11702	2.6
152.06230	0.7
153.05557	3.8
153.06828	3.1
154.05812	2.4
154.07779	2.8
155.08528	9.0
156.09357	4.0
157.06468	0.8
157.10126	7.4
158.80838	0.6
159.08054	2.6
159.11685	3.8
161.09564	0.6
163.07558	1.2
165.06963	5.4
166.07788	3.8
167.08569	6.2
168.09357	3.4
169.10115	9.6
170.10847	2.4
171.08002	1.5
171.11700	4.8
173.05988	0.7
173.09587	1.8
175.07452	1.0
178.07806	2.6
179.08554	5.5
180.09334	3.8
181.06577	1.0
181.10098	6.5
182.10873	2.5
183.08040	1.3
183.11703	9.3
184.12291	1.4
185.09660	2.4
185.13249	3.6
187.07628	0.6
187.11151	1.0
190.07718	1.2
191.08557	2.7
192.09293	3.6
193.10127	6.7
194.10886	2.8
195.08032	3.0
195.11682	6.5
196.08882	1.0
196.12399	0.8
197.09619	3.5
197.13263	3.4
198.10342	0.6
199.07532	0.7
199.11243	1.5
199.14801	1.4
201.09082	1.4
202.07761	2.5
203.08542	3.1
204.09323	2.6
205.10114	5.9
206.10869	4.1
207.08121	1.0
207.11703	8.5
208.08907	0.9
208.12410	1.8
209.09613	1.9
209.13214	5.2
210.10300	0.9
210.13971	0.8
211.11209	2.2
211.14792	1.2
213.09137	3.2
213.12645	1.6
215.06720	0.7
215.08591	3.5
215.10669	6.0
216.09233	3.2
217.10107	7.5
217.12073	0.9
218.10870	4.6
219.08177	0.9
219.11658	7.0
220.12424	2.3
221.09637	1.8
221.13229	6.6
222.14032	0.8
223.11180	2.0
223.14816	1.8
225.09213	0.7
225.12756	1.7
227.08548	0.7
227.10712	1.6
228.09241	1.4
229.10127	7.7
229.12227	0.9
230.10901	6.1
231.08095	0.7
231.11679	9.4
232.08731	0.9
232.12476	5.9
233.09673	1.5
233.13217	6.7
234.13858	0.8
235.07306	0.6
235.11168	2.5
235.14810	2.9
236.11845	0.7
236.15558	0.7
237.12738	1.3
239.10733	1.1
241.10025	1.1
241.12233	1.1
242.10925	2.8
243.11711	8.0
244.08899	1.1
244.12444	6.7
245.09535	1.6
245.13245	10.1
246.10414	1.2
246.13994	4.4
247.11107	2.8
247.14806	6.5
248.11778	0.9
248.15524	1.0
249.09081	0.6
249.12822	2.1
249.16341	1.5
251.10765	0.9
251.14264	1.1
253.12262	1.9
255.11484	1.0
255.13857	1.9
256.12552	2.1
257.09402	0.8
257.13275	9.9
258.10443	1.2
258.13980	6.8
259.11197	1.8
259.14822	10.0
260.11908	1.1
260.15408	2.5
261.09192	0.6
261.12723	2.7
261.16400	3.6
262.13354	0.8
262.17087	1.1
263.10706	2.0
263.14255	3.0
263.17944	1.4
265.12253	2.6
267.13809	1.2
269.13422	0.6
270.13876	0.9
271.11526	1.0
271.14777	6.6
272.12152	1.3
272.15585	6.6
273.12747	3.3
273.16318	7.0
274.13443	1.0
274.16943	1.3
275.10687	1.1
275.14276	2.2
275.17908	2.1
276.11404	1.1
276.15002	1.0
277.12253	2.2
277.15863	1.7
277.19299	1.0
279.13870	1.5
285.12747	2.1
285.16351	1.3
286.13931	1.1
286.17133	3.2
287.14294	3.3
287.17935	12.3
288.14926	1.5
288.18518	2.7
289.12219	1.7
289.15842	2.4
290.12943	1.1
290.16318	0.9
291.13837	4.3
292.14429	0.8
299.14377	2.5
300.15015	1.2
301.16034	0.9
301.19473	11.4
302.20078	1.6
303.13803	1.9
303.17419	5.1
303.21075	2.6
304.14673	1.3
304.18195	1.6
305.15350	4.7
305.19003	2.8
311.17874	1.3
314.16559	1.9
317.15479	3.3
318.16138	1.5
319.16983	0.7
319.20465	6.5
329.18881	8.7
332.17719	4.3
347.20044	100.0
348.20374	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2579
Annotation	Volemolide
Peak:m/z	Relative Intensity
50.60410	0.2
53.03944	0.6
55.01863	0.4
55.05512	5.5
55.71466	0.2
57.03444	1.1
57.07077	17.6
58.07396	0.3
67.01851	1.1
67.05507	3.4
69.03425	0.5
69.07071	11.4
70.55500	0.2
70.55833	0.5
71.04987	0.8
71.08631	11.1
79.05492	1.9
81.03392	0.2
81.07056	10.1
82.07387	0.2
83.01340	0.5
83.04994	2.7
83.08618	6.5
85.02889	0.6
85.06522	0.5
85.10181	5.9
91.05479	2.5
93.07043	5.2
95.04960	0.5
95.08607	10.0
96.08912	0.3
97.06548	0.5
97.10175	3.3
99.11719	0.3
103.05421	0.2
105.04533	0.2
105.07021	2.1
107.08578	0.9
109.06518	3.9
109.09450	0.3
109.10153	4.1
111.04459	0.5
111.08099	0.5
111.11715	1.7
113.13244	0.3
115.05457	0.2
117.07003	0.8
119.04884	0.4
119.08588	2.3
121.06506	2.3
121.10140	0.8
123.08064	3.6
123.11709	1.9
124.05290	0.2
125.05961	0.5
125.13261	0.6
127.03928	0.2
129.06990	0.6
129.48471	0.2
131.08553	1.5
133.06465	1.6
133.10153	1.0
135.08061	2.3
135.11642	0.4
137.05972	14.6
137.09579	0.9
137.13260	1.7
138.06764	1.1
139.03931	1.0
139.07547	3.9
142.07779	0.6
143.08592	1.0
145.06422	0.3
145.10146	0.3
146.07256	0.6
147.08064	3.7
147.11641	0.6
149.05977	3.6
149.09596	1.0
150.06361	0.2
151.07539	38.5
151.14845	1.1
152.07896	1.8
153.05373	0.3
157.10161	1.3
159.08040	2.1
159.11684	0.5
161.05977	5.0
161.09607	3.0
161.13274	0.4
162.06604	0.2
163.07607	1.4
163.11154	0.2
165.05481	12.6
165.09114	11.8
165.16353	0.2
166.05850	0.5
166.09421	0.5
167.07034	100.0
168.07388	3.8
171.08080	0.5
171.11678	0.7
173.09630	0.7
173.13199	0.3
174.06735	1.0
175.07541	6.9
175.11166	2.5
176.07997	0.4
177.05524	0.4
177.07561	0.3
177.09114	5.3
178.06248	0.9
178.09479	0.4
179.07039	6.2
179.10667	4.1
179.14268	0.3
181.08600	6.8
182.08936	0.4
185.09698	1.0
187.07535	0.4
187.11232	0.3
188.08301	2.0
189.09102	10.8
189.12717	1.5
190.09552	0.7
191.07036	2.1
191.10651	2.3
191.17766	0.3
192.07758	2.1
192.39250	0.2
193.08601	13.1
193.12253	0.8
193.19502	0.6
194.08855	0.5
195.10194	1.9
199.11201	0.3
201.12744	0.3
202.09877	0.6
203.10674	8.4
203.14302	0.5
204.11069	0.4
205.08658	0.5
205.12274	1.3
206.09341	0.6
207.10161	13.3
207.13776	0.7
207.21097	0.9
208.10474	0.6
209.11710	0.3
213.12703	0.5
215.14273	0.3
216.11450	0.2
217.12222	4.4
218.12454	0.3
219.13728	0.5
221.11725	7.5
221.15117	0.4
231.13776	2.1
233.15234	0.2
235.13281	3.1
245.15343	0.8
249.14882	1.6
259.16913	0.7
263.16354	0.9
263.19574	0.2
273.18497	0.9
277.17935	1.1
291.19473	1.7
301.25214	0.7
305.21173	0.3
311.23618	0.6
319.22681	0.5
319.26270	2.1
329.21179	0.3
329.24789	5.2
330.25162	0.5
332.23447	0.5
347.25797	32.9
348.26172	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93459	1.3
60.39396	1.0
61.02930	1.5
65.03946	4.4
67.05500	2.0
69.03436	6.0
69.07066	43.2
70.06591	4.3
70.81995	2.7
81.03429	2.2
85.02905	21.5
93.03405	3.6
95.04950	2.6
97.02877	6.2
97.06548	4.9
99.04498	1.3
109.02885	3.7
111.04433	5.9
112.07597	5.2
122.05958	1.3
123.04416	1.9
125.05977	7.1
127.03906	4.6
136.06181	4.5
140.07066	37.4
145.04944	1.9
151.03938	4.9
168.06566	100.0
169.04979	18.2
169.06941	3.0
173.07141	4.5
176.20372	1.5
182.08128	10.9
184.03802	1.6
186.07657	17.1
187.20793	1.2
187.37282	1.2
210.07600	20.6
228.08672	2.6
234.07631	3.0
242.09656	1.3
276.08606	3.0
313.66937	1.5
348.13229	7.4
349.16833	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
57.03439	1.9
61.02922	2.3
67.05501	2.0
69.03426	5.3
69.07053	0.7
70.06591	2.1
70.20605	0.7
70.55289	0.8
70.55623	1.3
73.23373	0.6
81.03428	2.4
81.09074	0.8
84.04498	0.9
84.08159	1.1
85.02905	29.6
86.03245	0.9
86.09700	1.4
91.03944	1.1
95.04964	3.6
97.02901	9.0
98.98471	2.0
99.04449	0.8
101.00933	1.0
102.00970	1.1
102.75173	0.7
109.02904	2.6
119.01944	1.3
119.03556	1.1
120.02036	1.1
123.04430	100.0
124.04771	2.5
126.05489	0.9
127.03910	3.5
136.06189	79.1
136.99989	1.2
137.04619	0.9
137.06584	1.5
139.05809	0.8
143.01921	4.0
144.02049	3.5
145.01668	0.9
145.04948	5.1
151.03908	26.3
152.04248	1.0
161.02956	3.4
162.03111	4.7
163.02731	1.4
164.99411	1.5
167.71458	0.7
168.06583	1.3
169.04970	51.7
170.05330	1.3
175.11978	1.3
180.08682	2.7
186.07687	1.6
196.50513	0.7
198.16461	0.7
203.04001	1.2
204.04233	2.7
219.02048	0.8
221.04976	1.2
222.02052	0.8
246.01961	1.3
258.01862	2.0
307.08679	2.0
348.06790	5.0
348.12964	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
57.03434	1.8
57.34881	0.6
59.04983	1.0
61.02917	2.7
69.03432	5.8
71.05016	1.1
72.18950	0.7
73.02922	1.4
75.09089	0.7
81.03413	3.1
81.07058	3.1
85.02907	22.8
86.03253	0.9
91.03965	1.8
91.05480	17.0
91.53637	0.7
93.07039	1.7
95.04982	2.8
97.02906	6.2
98.89408	0.7
105.07031	0.8
107.08598	1.6
109.02890	1.4
110.37833	0.7
110.69711	0.7
119.04959	13.0
123.04437	1.1
123.08084	1.0
123.11719	1.8
127.03938	4.1
127.07580	1.0
133.10104	0.8
136.05167	1.6
136.06169	0.8
137.05983	2.2
145.04959	4.4
151.07547	100.0
152.07872	3.5
165.09131	1.5
169.08606	7.9
169.12323	0.8
179.07008	0.9
181.08829	0.8
193.08652	1.5
259.09561	1.3
273.10867	2.4
274.11398	1.0
278.11179	0.8
302.12924	3.0
331.12701	0.9
348.13388	5.6
348.17142	1.7
349.08905	9.5
349.12982	4.6
362.46048	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49208	0.8
57.03431	1.2
57.07074	1.0
67.05504	2.4
69.03425	4.0
69.07076	1.5
71.04977	3.2
79.05494	1.1
81.07054	4.6
83.04996	1.7
85.02914	11.3
85.06562	4.7
91.05489	1.3
93.07018	2.5
95.04964	3.3
95.08604	1.1
97.02904	1.7
99.04422	1.9
107.08609	5.8
109.06535	10.1
109.10164	46.0
110.10509	2.0
113.06016	1.6
123.08095	1.9
123.11715	6.2
125.09624	6.8
127.03960	1.3
133.10135	2.6
137.05951	2.0
147.04456	1.0
151.11192	18.3
167.07109	1.0
169.12251	100.0
170.12552	4.4
187.13341	1.6
205.04889	1.3
238.05785	0.9
284.37030	1.2
348.07724	0.9
370.18176	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58693	1.7
53.03959	3.3
55.05506	2.6
57.03434	1.7
57.07073	2.3
57.07369	1.3
59.05004	2.6
67.05510	7.0
68.15461	1.6
69.03421	9.9
69.07072	2.4
71.04983	3.9
71.29968	2.7
73.45774	1.5
79.05505	5.3
81.03426	4.2
81.07059	25.1
83.04992	2.0
85.02904	16.5
91.05472	12.2
93.07045	22.1
95.04981	3.5
95.08607	4.9
97.02898	16.4
99.04449	4.2
99.15254	1.6
104.50526	1.4
105.07031	20.4
107.05002	1.4
107.08595	54.6
109.02883	6.9
109.06525	13.0
109.10159	17.0
109.35416	1.3
117.05486	1.8
119.08572	2.7
121.10150	11.1
123.08086	2.1
123.11704	39.2
124.12064	1.9
127.03910	11.3
129.07079	1.6
133.06526	1.6
133.10127	30.1
135.08002	1.6
135.11705	4.6
137.06020	1.5
145.04984	5.7
149.09634	3.3
151.11182	100.0
152.11520	4.1
169.12192	3.7
175.07437	1.5
175.11174	1.5
176.83679	1.6
177.27217	1.4
184.91202	1.4
204.71420	1.8
213.10350	2.3
241.24828	1.4
259.13345	2.9
265.14417	2.8
277.14294	2.5
295.15488	10.4
329.38861	1.5
331.12961	1.8
331.19061	1.5
348.20139	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.8
62.22733	0.7
65.03952	1.0
67.05504	10.4
69.03429	2.2
69.11992	6.2
79.05502	1.3
81.03403	1.1
81.07047	8.4
85.02909	5.6
89.63451	0.7
91.05460	1.7
93.07022	1.0
95.04986	5.3
95.08621	1.6
97.02881	1.9
98.22546	1.2
100.11254	0.9
105.07030	2.0
107.08602	10.2
109.02876	1.9
109.06522	12.3
109.10156	100.0
110.10479	1.9
111.08080	2.1
121.02912	0.7
123.08074	2.0
123.11705	8.7
127.03922	1.1
133.10112	3.9
139.03929	2.0
140.04227	1.4
145.04939	0.9
151.11183	32.9
152.11537	1.0
153.01843	3.1
153.05453	1.3
154.02199	1.4
154.05786	1.5
165.01863	0.7
169.12248	15.0
230.05388	1.5
230.07503	0.9
244.03349	0.7
258.04846	1.8
259.05670	3.1
260.06299	0.8
270.04889	0.8
286.04370	1.7
287.05029	2.6
288.05875	3.6
303.04095	0.8
304.05283	2.1
316.05334	1.5
332.04843	2.7
333.05527	1.3
348.07941	32.6
349.08167	3.1
349.14108	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.6
57.07044	1.3
67.05489	4.1
69.03408	2.1
69.07053	3.5
69.74483	4.3
71.04988	2.9
81.07068	5.2
82.69633	0.9
85.02897	8.7
85.06551	5.2
85.07027	0.9
93.07059	1.9
95.04961	3.6
95.08615	2.0
97.02901	1.2
99.04479	2.0
107.08595	8.7
109.06517	10.3
109.10155	50.0
110.10506	1.6
113.05971	2.6
123.08060	1.5
123.11686	5.7
125.09622	6.6
131.73380	0.9
133.10126	3.4
145.05045	1.4
148.19476	1.0
151.11169	21.5
154.29939	0.9
169.12241	100.0
170.12585	3.5
249.64107	1.0
259.63333	1.1
286.11533	1.5
348.08258	1.5
348.22470	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	24.6
55.40643	4.6
55.76931	4.9
57.03420	8.5
62.85532	4.7
66.06252	4.8
67.05173	7.2
67.05508	73.4
68.04823	4.5
69.07065	11.8
71.30342	5.4
79.05485	17.2
80.09241	4.7
81.07056	36.7
83.08618	13.7
86.29705	4.9
91.05485	14.9
93.07048	17.3
95.04920	6.2
95.08598	22.9
97.06537	5.4
97.10173	13.1
105.07021	13.4
107.08584	19.3
109.06526	5.9
109.10147	63.3
119.08595	11.0
121.10105	7.3
123.11768	5.8
125.09616	9.9
129.06923	5.2
133.10118	16.1
135.11664	6.5
136.31465	5.9
137.09612	10.6
145.10135	10.2
147.11679	7.1
155.10681	22.1
159.11649	6.4
163.11153	5.7
173.11746	100.0
173.13107	5.3
189.11270	6.7
195.13869	9.3
274.19684	5.9
275.20038	6.7
277.21655	23.8
295.22754	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95813	0.8
57.03439	0.9
67.05515	1.1
69.03432	2.4
69.07069	0.9
70.69921	1.4
71.04996	1.9
79.05470	0.8
81.03400	1.2
81.07057	5.3
83.04984	4.0
85.02908	5.2
93.07070	1.4
95.08589	1.3
97.02900	2.0
99.04473	0.8
107.08578	1.7
109.02921	1.2
109.10148	1.3
111.04473	0.9
123.08057	1.9
123.11716	3.0
125.06007	1.3
127.03926	1.2
131.93221	0.8
132.23126	0.7
136.90843	0.8
143.07080	1.0
146.05995	1.1
149.05853	0.8
150.41612	0.7
151.07587	2.6
151.11221	2.4
169.04945	0.8
169.12242	4.7
173.07123	2.2
174.07735	0.7
185.04210	6.5
187.03697	4.3
299.93491	0.8
332.13855	1.0
342.58774	0.9
349.08969	100.0
350.09363	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0893
Annotation	Pibocin B
Peak:m/z	Relative Intensity
52.18205	0.5
55.01858	0.5
57.03426	0.8
57.53754	0.5
69.03428	1.6
69.30926	4.6
71.04971	1.3
75.80769	0.6
79.05477	1.0
81.03423	0.9
81.07056	3.5
83.05000	1.8
85.02919	4.1
89.77870	0.6
95.08615	1.3
97.02901	0.7
98.23351	0.8
107.04964	0.7
107.08582	1.8
109.02829	1.1
109.10147	1.5
121.06376	0.5
123.08072	1.9
123.11715	1.9
125.05992	1.2
127.03961	0.8
139.11133	0.6
147.04405	0.9
151.07564	1.9
151.11182	1.4
160.07684	0.7
160.77260	0.6
165.41940	0.6
169.12234	3.0
173.07152	2.5
181.04961	1.2
185.04266	7.1
187.03674	3.2
222.02112	0.7
265.05905	0.7
349.08960	100.0
350.09290	5.9
367.09274	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55566	0.4
58.07950	0.4
61.41253	0.4
70.47255	0.8
80.38635	0.3
95.84698	0.4
105.21716	0.4
149.06001	0.4
151.03862	0.9
179.07065	0.4
185.04250	0.6
187.07286	1.0
207.06526	0.6
242.18896	0.4
331.12909	0.6
349.12561	100.0
350.12900	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1985
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
67.05474	0.8
69.21638	4.3
79.05480	0.8
81.07043	0.7
91.05489	0.8
95.08592	0.8
98.22509	1.1
102.75272	0.5
105.07037	1.0
107.08607	0.8
128.62682	0.5
135.11603	0.6
143.08464	0.7
153.44733	0.6
158.31288	0.5
159.11668	0.7
250.56381	0.6
349.19846	100.0
350.20126	7.7
369.72678	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01875	0.9
55.05513	1.5
57.03428	1.4
61.56572	0.5
65.76620	0.5
67.05508	4.8
69.07071	3.2
79.05480	4.0
81.03418	0.7
81.07056	6.3
83.04982	1.0
83.08614	0.8
85.06554	0.8
91.05475	5.1
93.07057	4.6
95.04987	0.8
95.08599	2.5
95.36250	0.5
97.06546	1.3
105.07028	5.3
107.04959	1.2
107.08584	2.4
109.06509	0.7
109.10159	1.7
117.07011	1.8
119.08585	4.3
121.06535	0.9
121.10139	1.5
123.08115	0.8
129.06995	0.6
131.08556	2.0
132.57382	0.5
133.10109	3.4
135.08052	0.6
135.11719	0.8
137.05766	1.4
137.09616	0.8
143.08551	0.6
145.10127	3.0
147.07994	0.6
147.11746	1.9
149.09625	0.7
149.13258	0.9
157.10222	0.6
159.11729	2.7
161.13287	0.7
163.11180	1.0
169.10213	0.9
170.31459	0.5
173.13274	1.2
199.39453	0.5
211.69489	0.5
221.11476	1.0
231.11597	0.7
257.19022	1.8
275.20090	6.5
331.19162	0.7
349.19846	100.0
349.23590	6.8
350.20206	7.5
350.24039	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.9
54.70387	4.7
55.01865	15.2
55.05515	30.8
57.03429	15.8
61.02932	7.0
63.37651	4.3
67.05508	58.0
69.03426	23.8
69.07065	17.5
70.45784	15.3
71.01348	5.9
71.04991	9.0
73.02919	8.8
75.19337	4.7
79.05488	56.1
81.03410	23.8
81.07063	92.5
83.04974	11.3
85.02894	19.5
87.04476	5.8
91.05479	74.1
93.07043	84.0
95.04963	39.3
95.08611	100.0
96.08914	5.3
97.02884	21.0
97.06535	13.2
97.10185	9.3
97.12041	4.5
99.04484	10.1
103.05444	5.9
105.07034	98.1
107.04958	9.0
107.08581	75.9
109.06526	17.3
109.10151	40.2
111.04420	10.2
115.03967	6.1
117.07040	22.6
119.08576	94.3
120.04482	5.9
120.08829	4.6
121.06493	27.1
121.10144	59.8
123.08057	17.9
123.11721	9.5
125.09611	11.9
128.06235	7.0
129.07005	19.1
131.08582	57.7
133.06519	9.9
133.10135	45.9
135.08118	27.2
135.11696	29.9
137.05960	11.4
137.09537	7.7
141.07008	7.1
142.07742	11.1
143.08575	33.7
145.06429	6.7
145.10129	61.2
146.10796	4.8
147.08072	20.0
147.11687	29.5
149.05965	6.6
149.09668	22.2
149.13229	7.2
151.07539	6.7
151.11177	7.8
155.08513	19.3
156.09285	9.2
157.10129	45.2
157.11293	6.2
159.08049	16.2
159.11673	50.0
161.09618	22.7
161.13301	27.0
161.29349	4.0
163.07547	8.2
163.11163	10.0
165.06935	6.9
165.09071	6.5
166.71982	4.7
167.08571	12.1
169.10188	15.0
171.08107	8.1
171.11649	25.3
173.09627	18.4
173.13248	23.5
173.55118	5.9
175.11165	15.8
175.14835	9.7
177.09109	18.3
179.08607	4.6
181.10150	7.2
183.11710	21.1
184.85143	5.5
185.09663	6.5
185.13182	23.7
187.11163	9.9
187.14809	14.3
189.09053	6.1
189.12764	9.8
189.16388	22.8
193.10123	8.7
194.10965	5.5
195.11766	18.1
197.09563	8.2
197.13235	14.2
199.11157	13.0
199.14818	30.2
201.12730	8.0
201.16412	15.0
203.14391	10.2
207.11790	7.6
211.14848	10.6
213.12784	6.9
213.16318	10.0
215.14215	11.3
215.17671	5.1
217.15836	33.9
225.08957	5.4
225.16467	5.1
227.14281	9.2
229.15836	12.3
231.13927	5.3
233.15326	5.4
235.11201	6.3
239.14352	6.4
239.17921	6.7
241.15862	7.0
243.17557	6.3
245.15356	10.4
249.16666	8.3
257.15225	5.5
257.19131	8.9
259.17026	12.2
267.17435	14.0
275.20114	19.1
283.16827	9.7
285.18436	14.3
295.16956	19.2
301.18030	17.2
303.19482	7.0
313.18076	28.1
317.11249	10.0
331.19223	26.1
331.22742	8.9
332.19110	5.2
332.99841	4.5
349.14697	10.1
349.19974	78.8
370.35379	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.216
Annotation	6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate
Peak:m/z	Relative Intensity
53.03950	0.5
55.05508	1.6
57.03437	0.2
57.07061	0.7
65.03919	0.2
67.05511	2.2
69.07072	1.6
69.86366	0.6
71.04997	0.2
73.08176	0.2
79.05491	1.9
81.07059	5.1
83.04969	0.7
83.08616	0.4
85.06543	3.3
88.11270	0.9
89.11600	0.2
91.05486	1.7
93.07041	2.8
95.04984	0.4
95.08608	4.0
99.08098	0.7
101.22879	0.2
105.07030	2.7
107.04936	0.6
107.08588	2.0
108.36716	0.2
109.06527	1.9
109.10173	0.9
111.04465	0.3
111.08077	0.4
115.05460	0.5
117.07035	1.2
119.04935	0.2
119.08576	2.0
121.06507	0.3
121.10171	0.5
123.08065	0.7
123.11784	0.3
127.07542	1.4
128.06218	2.3
128.37512	0.2
129.06981	1.5
130.07719	0.2
131.08577	1.7
133.10147	1.0
135.08081	0.2
135.11693	0.7
137.06007	0.5
141.06984	1.5
142.07785	1.3
143.08574	8.1
144.08971	0.2
145.06503	0.3
145.10123	1.8
147.11691	0.4
152.06203	0.3
153.07040	1.0
154.07809	1.0
155.08566	4.3
156.09399	0.9
157.10133	3.6
159.08076	0.3
159.11691	0.6
161.09636	0.6
163.11086	0.3
165.06966	2.3
166.07809	1.2
167.08562	3.1
168.09346	1.1
169.10132	4.1
170.10854	0.5
171.08098	0.3
171.11707	2.8
173.09587	0.4
175.11131	0.2
177.09050	0.2
178.07764	2.2
179.08569	6.3
180.09338	2.2
181.10129	7.5
182.10768	1.0
183.11696	3.2
184.12212	0.3
184.14478	0.2
185.13268	0.4
187.11253	0.2
189.07024	0.2
190.07793	0.2
191.08528	1.9
192.09334	3.8
193.10132	9.3
194.10887	4.9
195.08005	0.5
195.11700	7.4
196.12292	0.7
197.09558	0.3
197.13326	1.2
199.11122	0.3
202.07777	0.3
203.08517	1.2
204.09343	1.3
205.10143	7.4
205.12112	0.5
206.10895	3.1
207.11688	18.0
208.08939	0.2
208.12437	4.4
209.09901	1.3
209.13255	9.4
210.13808	0.8
211.11179	0.3
211.14796	1.7
213.09131	0.5
216.09302	0.6
217.10162	1.5
217.49596	0.2
218.10902	1.9
219.11700	9.7
220.12442	3.6
221.09593	0.5
221.13252	5.4
222.14009	4.5
223.11320	1.7
223.14798	6.6
224.15230	0.5
225.12711	0.6
227.10629	0.3
229.10138	0.5
230.10951	0.5
231.11682	2.4
231.13777	0.3
232.12492	2.3
233.09692	0.4
233.13237	8.2
234.14024	7.4
235.11143	0.5
235.14810	4.3
236.11913	0.3
236.15999	0.5
237.09062	0.4
237.12881	0.3
237.16499	1.5
239.10602	0.4
239.14310	0.4
241.12259	0.4
243.11671	0.2
244.12543	0.6
245.09593	0.2
245.13292	3.1
246.14021	2.1
247.11186	0.4
247.14830	6.1
248.15489	1.2
249.12744	0.5
249.16389	7.1
250.13440	0.3
250.14473	0.2
250.17154	3.1
251.10683	1.3
251.14320	9.3
251.17815	0.5
252.14716	0.6
253.15845	0.2
255.13771	0.8
259.14819	3.4
260.12039	0.5
260.15579	2.1
261.12683	0.4
261.16373	3.4
262.17056	0.5
263.10660	0.3
263.14230	0.5
263.17886	0.5
264.11572	0.3
265.12201	1.7
265.15958	0.4
266.12814	0.2
267.13739	0.5
271.11185	0.2
273.13242	0.2
273.16330	1.2
274.17075	1.8
275.14328	1.5
275.17935	5.3
275.20792	0.4
276.15204	0.2
276.18365	0.4
277.19498	0.3
278.12970	0.6
279.13748	1.5
281.15323	0.8
285.16330	0.2
287.18027	0.2
288.18622	0.4
289.16025	0.7
289.19467	7.7
290.20047	1.5
291.13745	0.8
291.16669	0.2
292.22836	0.3
293.15353	8.7
293.22885	1.4
294.15744	0.9
303.17450	0.6
303.21075	2.3
304.21631	0.2
305.15430	0.7
306.16232	0.6
307.16876	1.4
307.20490	0.5
313.19510	0.4
319.17017	2.6
320.17593	0.6
321.18442	1.2
321.21884	0.4
331.16757	0.4
331.20483	2.6
332.21030	0.3
333.18497	0.3
334.19272	8.4
335.19693	0.3
349.21609	100.0
350.21985	8.7
350.26407	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2161
Annotation	Arotinoid acid
Peak:m/z	Relative Intensity
53.03927	0.5
55.01865	1.2
55.05515	4.2
57.03451	0.3
57.07059	0.6
58.38108	0.3
59.04987	0.4
65.03938	0.5
65.36842	0.3
67.05173	0.5
67.05506	6.0
67.84736	0.3
69.07067	3.0
69.25854	1.7
69.26266	0.5
79.05495	4.4
81.07059	5.3
83.04978	1.2
83.08617	1.2
91.05483	6.6
93.07046	7.0
95.04963	1.1
95.08605	5.8
97.06545	0.4
98.23318	0.6
103.05457	0.4
105.04504	0.4
105.07027	8.7
106.07368	0.4
107.08590	4.9
109.06514	1.5
109.10161	5.0
111.04467	0.5
115.05444	1.4
117.07031	2.8
118.07719	0.3
119.08570	6.7
121.06501	0.8
121.10139	3.4
123.08051	0.6
123.11673	1.0
125.06037	0.3
128.06210	3.0
129.07021	4.6
130.07881	0.7
131.08559	6.0
132.08797	0.3
133.06499	0.7
133.10130	8.0
134.10512	0.4
135.08083	2.5
135.11633	2.0
136.74358	0.3
137.05957	0.4
139.07552	0.6
141.06990	3.8
142.07782	4.5
142.99457	0.3
143.08560	6.1
144.09381	0.9
144.22350	0.3
145.06480	1.1
145.10133	4.6
147.08057	0.8
147.11688	3.1
149.06035	0.4
152.06245	0.7
153.06993	2.5
154.07777	2.3
155.08545	12.8
156.09341	3.7
157.06522	0.8
157.10129	9.8
158.10791	0.5
159.08075	1.3
159.11673	2.6
161.09618	0.5
161.13252	1.0
163.07594	0.9
165.07002	2.8
166.07823	1.6
167.08575	3.9
168.09349	2.2
169.10132	10.3
170.10925	2.3
171.08035	1.2
171.11693	5.4
173.05986	0.8
173.09613	1.2
173.13269	1.6
177.09079	1.0
178.07713	2.0
179.08553	5.3
180.09334	2.3
181.06525	0.5
181.10104	5.2
182.07268	0.7
182.10837	1.8
183.08070	0.7
183.11705	5.9
184.12395	0.7
185.09641	0.9
185.13242	4.8
187.07434	0.4
187.11176	1.3
187.14806	0.7
190.07773	0.4
191.08543	2.3
191.10350	0.4
192.09335	3.6
193.10138	7.3
194.10974	2.4
195.08032	1.4
195.11681	8.4
195.13565	0.5
196.12376	0.9
197.09564	2.7
197.13245	3.4
199.07523	0.3
199.11226	0.9
199.14867	1.2
201.09029	1.9
202.07738	0.6
203.08553	2.4
203.10475	0.5
204.09320	1.9
205.10124	5.3
206.10895	4.8
207.08081	0.5
207.11678	9.3
208.08856	0.5
208.12381	2.3
209.09642	1.1
209.13240	6.0
210.10362	0.5
210.13750	0.6
211.11206	1.0
211.14854	2.1
213.09123	1.1
213.12860	1.0
215.08597	0.7
215.10661	5.8
215.14291	0.4
216.09291	0.7
216.11124	0.4
217.10164	3.3
218.07318	0.5
218.10837	3.5
219.08168	0.7
219.11687	8.3
220.12404	3.5
221.09645	0.7
221.13245	6.6
222.10458	0.7
222.13989	1.6
223.07597	0.4
223.11176	1.3
223.14755	2.5
224.15497	0.5
225.09282	0.7
225.12695	1.2
225.16371	0.6
227.10623	1.3
227.14268	0.6
229.10178	0.7
229.12233	1.1
230.10884	1.3
231.08099	0.3
231.11658	4.1
232.08798	0.7
232.12453	3.4
233.09567	1.1
233.13235	9.1
234.13998	3.0
235.11148	1.1
235.14778	4.3
236.11783	0.7
236.15439	0.5
237.09070	0.8
237.12700	1.5
237.16348	1.6
238.17203	0.4
239.10674	0.8
239.14375	0.6
241.12268	1.5
243.11710	0.9
244.12454	1.2
245.09543	0.7
245.13229	3.5
246.10378	0.9
246.14064	2.9
247.11211	1.6
247.14833	7.2
248.11955	0.5
248.15427	1.2
249.12779	1.4
249.16356	4.1
250.17143	1.2
251.10588	1.2
251.14299	1.1
251.17960	0.7
252.11406	0.6
253.12259	2.3
255.13815	2.3
257.13116	0.6
258.13968	0.5
259.11365	0.7
259.14816	4.1
260.11893	0.4
260.12814	0.5
260.15601	3.0
261.12790	1.4
261.16385	4.7
262.17065	0.8
263.10663	0.7
263.14310	1.1
263.17892	1.1
264.11481	0.4
264.18790	0.4
265.12228	3.8
265.15839	1.0
265.19562	1.0
266.12808	0.6
267.13861	4.7
269.15463	0.4
272.15598	0.4
273.12616	0.4
273.16360	1.7
274.13602	0.7
274.17133	2.5
275.14297	1.9
275.17880	2.5
275.20099	0.7
276.14972	0.3
276.18414	0.7
277.12451	0.6
277.16003	0.8
277.19373	0.6
279.13861	4.5
279.17078	0.6
280.14398	0.6
281.15347	0.9
287.14624	0.6
287.17987	1.1
288.15271	0.4
288.18640	1.2
289.16025	1.7
289.19434	8.9
289.22543	0.7
290.16425	0.4
290.20010	0.9
291.13840	0.9
291.17245	0.7
292.14554	0.6
292.17947	0.5
293.15372	3.7
294.15924	0.4
301.15854	0.4
303.17645	0.4
303.20990	5.7
304.21768	0.9
305.15375	1.1
305.18973	3.0
305.22592	1.4
306.16272	0.8
306.19437	0.5
307.16940	3.3
307.20520	1.3
313.19507	0.4
316.18152	0.6
319.11115	0.6
319.17441	1.6
320.17938	1.9
321.18631	0.7
321.21988	2.7
331.20459	5.0
332.20786	0.7
334.13440	0.7
334.19699	1.6
335.13986	0.5
349.21600	100.0
350.15839	0.4
350.17242	0.5
350.21973	9.0
350.28659	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.216
Annotation	Arotinoid acid
Peak:m/z	Relative Intensity
51.06424	0.7
53.03944	0.9
53.49907	0.5
55.01874	0.9
55.05515	4.6
65.21571	0.7
67.05497	8.3
69.03429	0.7
69.07076	3.0
70.36392	2.2
79.05504	5.3
81.07059	7.0
83.04983	1.1
83.08610	1.0
91.05480	5.7
93.07040	7.4
95.04984	1.1
95.08598	6.9
105.07028	10.0
105.62849	0.5
107.08569	6.7
109.06497	0.9
109.10154	10.0
115.05442	0.9
117.07029	2.7
119.08586	6.1
119.09363	0.9
121.10159	3.3
121.10938	0.6
123.11700	1.7
128.06183	3.4
129.07001	6.0
131.08572	6.0
133.10129	8.8
135.08055	1.0
135.11700	2.4
141.06990	4.5
142.07794	8.5
143.08554	5.1
145.06464	1.0
145.10106	4.4
147.11694	2.5
149.09607	1.2
152.06244	0.7
153.07030	1.7
154.07762	2.5
155.08549	12.7
156.09335	4.2
157.10120	20.2
159.08034	0.8
159.11722	2.8
161.13297	1.1
165.06982	3.2
166.07744	1.7
167.08574	3.6
168.09326	2.4
169.10136	7.8
170.10893	1.1
171.11671	6.6
173.09615	2.2
173.13293	0.9
175.07526	0.7
178.07790	2.6
179.08563	6.0
180.09312	2.1
181.10098	5.0
182.10872	1.3
183.11684	6.7
185.09593	0.9
185.13248	3.8
187.07544	0.8
190.07808	1.0
191.08546	3.0
192.09309	3.6
193.10143	5.9
194.10870	2.8
195.08006	0.6
195.11684	7.6
196.12291	0.8
197.09610	1.3
197.13263	4.6
199.11206	0.9
201.09103	2.8
202.07889	0.7
203.08537	2.3
203.10538	1.1
204.09320	2.0
205.10086	5.0
206.10852	4.4
207.11656	9.7
208.12341	1.5
209.09711	1.1
209.13252	7.8
210.13934	1.1
211.11200	1.3
211.14865	3.9
212.15404	0.6
213.09059	1.1
213.12733	1.0
215.10645	7.4
216.09235	0.9
217.10121	2.8
218.10899	2.3
219.11707	7.0
220.12485	3.4
221.13268	10.8
222.13853	1.7
223.11142	1.5
223.14801	2.4
225.12804	0.8
227.10732	0.8
229.12222	1.0
231.11630	2.4
232.12456	2.5
233.09775	1.0
233.13251	6.4
234.13965	3.0
235.11365	1.2
235.14830	6.3
236.15387	1.4
237.12712	1.2
237.16318	1.1
239.10570	0.9
241.12202	2.3
243.13858	1.0
244.12317	1.0
245.09555	0.8
245.13284	3.6
246.14061	2.3
247.11073	1.8
247.14851	6.7
248.15508	1.3
249.12869	1.3
249.16399	5.0
250.16957	1.3
251.10593	1.2
251.17854	1.5
252.11343	0.9
253.12247	3.4
254.12735	0.8
255.13838	4.9
259.14883	3.2
260.15591	1.8
261.12851	0.9
261.16364	4.3
262.16974	0.7
263.17825	1.4
265.12271	3.5
265.15900	0.8
267.13803	5.2
273.16510	1.8
274.17102	2.3
275.14581	1.1
275.17944	3.1
279.13815	4.4
281.15311	0.7
289.15985	1.5
289.19467	6.4
291.13885	0.7
292.14783	0.7
293.15332	4.0
294.15771	0.7
303.21060	6.5
304.21649	1.0
305.15433	1.3
305.22522	3.4
307.16943	2.7
319.11237	0.7
320.17764	1.7
321.18576	1.2
321.21893	2.9
331.20502	3.5
334.19345	1.0
349.21613	100.0
350.21991	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2163
Annotation	Arotinoid acid
Peak:m/z	Relative Intensity
53.03931	1.2
54.22079	0.6
55.01871	1.5
55.05514	7.1
63.89437	0.6
64.44807	0.6
67.05510	7.7
69.07072	3.6
69.30508	0.6
71.30730	0.8
71.31115	0.8
79.05497	7.3
80.56953	0.7
81.07058	8.5
81.26049	0.6
83.08607	2.1
85.06524	1.2
91.05485	9.4
93.07047	7.0
95.04964	0.7
95.08604	11.4
97.06535	0.7
97.10178	0.8
103.05428	1.1
105.04539	0.6
105.07027	10.6
107.04962	1.2
107.08595	7.2
109.06541	1.3
109.10149	3.4
115.05498	2.2
117.07004	4.8
119.08590	10.3
121.10147	4.4
123.08055	0.6
123.41496	0.6
127.07655	0.6
128.06247	3.7
129.07005	6.7
130.07755	1.2
131.08582	9.2
133.06564	1.0
133.10144	7.6
139.07501	0.8
141.06982	4.8
142.07782	4.0
143.08565	7.9
144.09210	0.8
145.06448	0.9
145.10143	8.8
147.08078	0.8
147.11713	4.2
151.07603	0.8
153.07024	3.1
154.07758	2.5
155.08549	9.4
156.09367	5.6
157.06471	1.8
157.10141	8.3
159.08060	1.3
159.11670	3.3
161.09546	0.8
161.13168	0.8
165.06984	5.4
166.07793	2.3
167.08582	5.1
168.09311	3.5
169.06438	0.8
169.10141	18.1
170.10794	2.2
171.07976	0.7
171.11691	10.6
172.12440	0.6
173.06029	1.0
173.13252	1.8
175.11169	1.2
178.07788	2.6
179.08585	9.8
180.09325	4.0
181.06581	1.2
181.10101	11.0
182.10840	3.0
183.08089	1.3
183.11711	12.6
184.12376	1.5
185.13245	3.7
186.13853	0.7
187.07489	0.7
187.11093	0.7
189.09142	1.0
190.07823	0.9
191.08582	3.4
192.09348	6.1
193.10144	14.0
194.10880	4.7
195.08015	2.3
195.11694	10.0
196.12384	1.7
197.09592	1.9
197.13268	6.0
199.07539	1.0
199.14864	2.1
201.09163	1.1
202.07770	1.1
203.08566	3.5
203.10481	0.9
204.09322	2.9
205.10175	8.0
206.10905	7.3
207.07932	1.0
207.11690	17.9
208.12408	3.2
209.13232	9.3
210.13898	1.3
211.11130	0.9
211.14861	2.6
213.09140	0.7
215.08702	1.2
215.10674	6.8
215.17946	0.9
216.09277	1.3
217.10143	5.5
217.12282	1.9
218.10915	5.5
219.08267	1.3
219.11678	11.4
220.12411	7.1
221.09782	1.3
221.13239	15.6
222.10440	0.7
222.14008	7.5
223.11299	0.8
223.14835	8.8
224.15604	2.4
225.09189	0.9
225.40198	0.7
227.10597	0.9
229.10139	2.6
229.12282	2.0
230.10892	2.5
231.08107	1.3
231.11665	6.3
232.08777	0.9
232.12469	7.3
233.09656	2.2
233.13246	15.4
234.10431	1.1
234.13948	5.4
235.11232	1.5
235.14780	7.9
236.15482	2.7
237.09134	1.1
237.12563	0.8
237.16383	7.6
241.12222	1.6
243.11650	1.3
243.13922	1.0
244.12503	4.0
245.09590	1.7
245.13234	7.4
246.10390	2.1
246.13951	3.7
247.11176	2.7
247.14842	11.3
248.15483	1.9
249.12744	1.1
249.16405	8.3
250.16992	2.3
251.10764	1.1
251.14211	0.9
251.17961	13.5
253.12389	1.5
255.13849	2.4
258.14069	0.9
259.11066	1.3
259.14847	11.6
260.12073	1.3
260.15561	4.1
261.12762	2.7
261.16397	9.2
262.13455	0.6
262.16983	1.5
263.14240	1.4
263.17990	2.3
264.18707	3.8
265.12180	2.3
265.19525	14.9
266.20251	14.4
267.13995	3.2
267.20642	1.1
271.14828	1.0
273.12933	0.7
273.16342	3.6
274.13763	1.4
274.17123	7.1
275.14322	2.2
275.17896	4.5
276.18262	1.1
277.12378	1.6
277.15732	1.1
278.13025	1.3
279.13776	3.4
279.17029	1.3
281.15405	0.8
287.14471	1.0
288.15250	1.0
288.18707	4.2
289.15854	4.8
289.19458	5.1
290.19855	1.1
291.13788	3.1
291.17230	1.5
293.15408	4.5
303.17932	1.2
303.21057	37.2
304.21506	3.6
305.15369	1.5
305.22699	1.2
306.16199	2.5
307.16946	5.0
319.16910	2.4
320.17569	1.6
321.18713	1.1
321.22107	6.4
331.20508	5.6
334.19406	4.3
349.21622	100.0
350.22021	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2161
Annotation	Arotinoid acid
Peak:m/z	Relative Intensity
53.03934	1.0
54.48384	0.4
55.01871	0.8
55.05503	2.6
57.03424	0.9
57.07061	0.8
65.03934	0.5
67.05505	5.4
69.03414	0.6
69.07072	2.4
73.31042	0.5
78.26350	0.5
79.05492	6.2
81.07055	6.8
83.04983	0.9
83.08617	0.7
85.06543	2.8
91.05477	8.4
92.05771	0.5
93.07040	7.3
95.04960	1.3
95.08605	7.3
97.06533	1.0
103.05451	0.7
105.07024	10.4
107.04946	0.7
107.08594	7.8
109.06508	2.0
109.10162	2.9
111.08086	0.9
115.05459	1.5
116.06269	0.6
116.07115	0.5
117.07020	5.0
119.01514	0.5
119.08578	7.6
121.10147	4.8
123.08062	1.0
125.09664	0.5
128.06221	3.4
129.07021	4.0
130.07770	1.1
131.08578	7.2
133.06464	0.6
133.10126	7.9
134.10493	0.7
135.08086	0.5
135.11696	1.0
137.06024	0.5
139.07538	0.9
141.06985	2.8
142.07793	4.3
143.08553	10.8
144.09248	0.7
145.06458	0.7
145.10103	6.4
147.08057	0.8
147.11751	2.2
149.09512	0.5
150.17311	0.4
151.07542	1.1
152.06236	0.7
153.06985	1.8
154.07776	1.7
155.08553	8.3
156.09358	3.2
157.06508	0.6
157.10132	8.5
158.10799	0.5
159.08014	0.6
159.11678	4.2
161.09663	0.5
161.13193	0.6
163.07565	0.7
163.11201	0.5
165.06975	3.7
165.09096	0.6
166.07782	1.7
167.08565	5.0
168.09337	2.3
169.10133	8.1
170.10876	2.1
171.11697	9.4
172.12384	0.4
173.05920	0.6
173.09605	1.0
173.13234	1.0
175.07518	0.4
175.11151	0.7
177.09178	0.6
178.07755	1.9
179.08554	6.5
180.09319	2.5
181.10129	9.1
182.10872	1.5
183.08110	0.5
183.11690	7.6
184.12241	0.8
185.09656	0.7
185.13263	4.9
187.07622	0.4
187.11253	0.6
190.07796	0.8
191.08586	2.5
191.10414	0.4
192.09355	4.2
193.10126	9.8
194.10905	4.3
195.08041	1.2
195.11671	9.0
196.12393	0.7
197.09648	1.1
197.13254	5.0
198.13995	0.8
199.11264	0.5
199.14790	1.7
201.09084	1.0
202.07848	0.6
203.08531	1.6
203.10641	1.9
204.09317	1.8
205.10139	8.2
205.12109	0.7
206.10838	4.5
207.11682	16.1
208.12395	3.7
209.09578	1.4
209.13245	10.4
210.13686	1.0
211.14816	2.9
213.09097	0.5
215.08733	0.6
215.10687	1.8
216.09300	0.8
217.08125	0.4
217.10077	2.9
217.12260	1.7
218.10854	2.7
219.08244	0.6
219.11674	9.6
219.13696	0.7
219.17604	0.6
220.12456	5.5
221.09717	0.7
221.13260	8.0
222.14008	3.4
223.11214	1.8
223.14769	5.9
224.15372	0.6
225.12753	0.9
227.10670	0.5
229.10080	0.7
229.12234	0.7
230.10950	0.7
231.11700	3.1
232.12459	2.6
233.09700	1.1
233.13239	8.6
234.14035	6.5
235.11163	1.2
235.14772	6.3
236.15584	0.6
237.12726	1.1
237.16389	1.8
239.17828	0.8
241.12236	1.2
243.11754	0.6
243.13983	0.6
244.12369	1.1
245.13290	3.9
246.14053	2.7
247.11038	1.4
247.14827	6.8
248.15536	1.1
249.12720	1.3
249.16399	10.9
250.17114	2.6
251.10695	0.9
251.14290	5.3
251.17978	2.2
253.12297	1.6
255.13792	2.3
259.11340	0.5
259.14767	4.1
260.12033	1.2
260.15570	2.9
261.13068	0.9
261.16391	7.0
263.10815	0.6
263.14105	1.0
263.18024	0.9
264.18787	0.9
265.12210	1.6
265.19455	2.9
266.20215	2.2
267.13840	2.9
269.15369	1.0
273.12994	0.7
273.16367	2.0
274.13654	0.6
274.17059	2.7
275.14267	2.1
275.17908	3.5
275.20258	1.1
276.15088	0.6
277.12228	0.5
278.13187	0.8
279.13800	3.0
279.17151	0.8
281.15308	1.5
288.18686	1.0
289.15958	1.7
289.19485	6.9
290.19949	0.9
291.13861	1.3
291.17349	1.0
292.14532	0.7
293.15332	7.2
294.15732	0.5
303.17410	1.1
303.21045	9.4
304.21457	1.2
305.15509	0.8
306.15878	1.0
307.16971	3.7
319.16943	2.7
320.17639	1.3
321.18436	1.3
321.21725	1.1
331.20517	3.7
332.21103	0.8
333.18253	0.5
334.19296	5.4
335.19745	0.7
348.33777	1.2
349.21585	100.0
350.21915	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	3.8
53.03948	17.0
53.45682	2.3
53.68923	2.8
55.01873	25.9
55.05511	39.9
56.96544	2.3
57.03437	21.8
65.03944	4.7
67.05503	95.7
69.03432	5.6
69.07067	71.6
71.04987	5.8
72.72520	2.3
77.03969	2.8
79.05493	88.1
80.05817	3.0
81.03414	34.8
81.07055	100.0
82.07364	3.0
83.04988	20.0
83.08607	16.0
85.06549	4.7
91.05478	81.7
91.96078	2.4
93.07037	68.6
94.07374	3.0
95.01321	20.1
95.04975	23.8
95.08598	62.1
95.09154	4.0
97.06532	45.5
97.10181	6.8
99.08099	4.9
103.05444	4.0
105.07025	91.2
106.07413	3.2
107.04951	45.8
107.08595	43.2
109.06530	10.9
109.10153	18.4
111.04455	2.3
111.08068	6.9
115.05491	3.2
117.07021	25.8
119.08580	59.9
121.06526	7.2
121.10133	19.0
123.04455	4.7
123.08074	14.5
123.11718	4.5
125.09647	8.7
129.07025	6.7
131.08559	47.4
132.08876	2.7
133.10124	58.4
133.11061	4.7
135.08063	10.3
135.11674	17.7
137.06017	2.8
137.09601	5.5
137.13345	3.4
141.07008	4.5
143.08545	7.8
145.06502	6.9
145.10118	38.0
147.08069	2.4
147.11708	22.6
149.09610	25.2
149.13251	11.5
151.11192	5.1
155.08531	4.4
156.97502	2.3
157.10161	8.5
159.08070	5.0
159.11694	24.7
161.09644	3.8
161.13284	8.6
162.13489	3.0
163.11185	8.6
165.09102	3.1
169.10141	11.0
171.11728	8.4
173.13269	8.8
177.12776	8.4
179.14317	30.0
181.10220	3.6
183.11745	7.3
185.13274	3.5
185.93871	2.7
187.11230	8.8
194.10782	3.0
195.11710	3.4
197.13304	8.0
207.11575	4.1
209.13272	3.8
215.14389	2.7
217.02734	2.5
229.19595	3.7
233.13240	4.8
235.14992	3.9
239.18024	7.6
247.14716	4.2
247.20572	4.1
257.19012	8.7
259.14896	2.9
261.16385	3.2
275.20050	70.2
276.20505	5.4
279.13513	2.9
289.15924	2.8
289.19470	4.5
290.82672	2.5
293.21268	2.5
297.17023	2.4
331.20642	3.3
349.10742	7.2
349.16904	4.1
349.21448	18.3
349.23761	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.6
53.41182	1.0
54.45406	1.1
54.83995	1.2
55.01865	5.9
55.05510	19.0
57.03436	16.3
57.07065	3.1
64.56759	1.0
65.03938	2.3
67.05502	35.4
67.09715	1.1
69.03439	1.9
69.07064	21.0
70.56429	1.8
70.56764	2.0
71.05006	2.0
74.41550	1.0
77.32514	0.9
79.05493	29.1
79.28239	1.0
80.06514	1.0
81.07054	44.2
83.04980	9.8
83.08619	5.4
85.06545	1.4
91.05480	30.3
93.07044	36.6
95.04967	10.8
95.08610	23.3
97.06559	6.3
97.10184	3.7
103.05495	1.9
105.04483	1.6
105.07031	31.3
107.04964	13.6
107.08595	21.1
109.06500	15.0
109.10156	9.0
111.08086	2.4
114.54015	1.1
115.05473	1.5
117.07028	10.1
119.08580	20.0
121.06519	15.3
121.10146	13.5
123.08060	5.6
123.11710	4.9
125.09669	2.4
129.07018	2.8
131.08566	23.8
133.06468	3.5
133.10127	23.6
133.11070	2.0
135.08076	6.2
135.11699	7.9
137.09625	2.4
141.06963	1.3
143.08578	4.6
145.06454	1.3
145.10126	18.2
147.08047	5.4
147.11674	15.8
149.09631	7.2
149.13272	5.7
151.11215	5.5
155.08612	1.2
157.10159	5.2
159.08057	3.1
159.11725	12.1
161.09584	6.1
161.13289	4.4
163.11169	8.2
163.14938	1.5
165.12839	1.5
168.09378	1.2
168.16458	1.1
169.10204	2.3
171.11664	2.5
173.09669	3.7
173.13292	6.2
175.11267	3.5
175.14803	1.4
177.12787	3.3
181.10117	1.4
183.11766	2.9
185.13257	2.0
187.11240	1.9
187.14856	1.4
189.12753	2.4
191.14352	3.2
197.13292	2.7
198.96417	1.2
199.15140	1.7
201.12781	4.3
206.11110	1.2
207.13841	4.2
215.14320	2.8
215.17960	2.2
217.15842	1.3
219.13861	5.2
229.19513	4.5
239.17970	5.4
247.20616	4.4
257.19000	18.2
258.19183	1.1
275.20056	100.0
276.20282	6.9
293.21057	7.3
298.70663	1.1
349.23816	25.8
350.24414	1.6
350.29245	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91425	0.8
53.03948	2.4
55.01883	5.5
55.05514	16.6
57.03440	16.5
57.07070	2.3
57.77305	0.9
65.03941	2.3
67.05509	34.7
69.03419	2.8
69.07072	23.2
69.26743	7.0
71.04993	2.0
78.23184	0.8
79.05497	29.9
81.03411	1.8
81.07059	44.8
83.04983	11.7
83.08618	6.1
85.06548	2.1
91.05482	27.2
93.07049	39.5
94.07363	1.0
95.04977	10.8
95.08614	21.9
97.06528	6.2
97.10171	3.1
103.05468	1.3
105.07035	37.8
106.07386	1.2
107.04959	11.6
107.08600	24.8
107.09286	1.9
109.06532	13.9
109.10165	11.0
111.08094	2.7
115.05476	0.9
117.07028	10.6
119.08585	17.8
121.06519	13.5
121.10157	14.3
123.08096	8.8
123.11711	2.7
125.09603	1.4
128.06218	1.3
129.07005	3.3
130.07750	1.0
131.08559	21.6
133.06479	4.2
133.10132	21.4
134.10458	1.5
135.08044	7.8
135.11693	7.0
137.06041	1.7
137.09598	2.4
141.06970	1.7
142.07768	1.2
143.08568	4.7
145.06470	3.2
145.10126	17.4
147.08066	4.0
147.11687	14.3
149.09610	8.2
149.12138	0.8
149.13216	4.9
151.11201	5.8
153.20192	1.0
155.08568	3.2
157.10156	4.6
159.08075	3.7
159.11734	8.7
161.09621	3.9
161.13214	5.4
163.11215	7.1
163.14839	1.3
169.10136	1.8
171.11752	3.0
173.07161	1.6
173.09639	3.8
173.13240	4.9
175.11185	2.5
175.14767	1.4
177.12766	3.9
179.10786	1.0
179.14240	1.4
183.11699	3.3
185.13309	1.1
187.11197	2.9
187.14847	2.3
189.12776	2.1
189.16373	1.1
191.14346	5.3
197.13309	2.6
201.12756	4.3
205.16037	1.1
207.13817	3.6
213.16386	1.2
215.14365	2.4
215.18005	2.0
219.13866	4.7
221.15327	1.2
227.09914	1.0
229.19485	4.3
233.19019	1.7
239.18008	4.9
247.20563	4.9
257.19006	17.1
275.20071	100.0
276.20459	6.8
293.21161	7.9
331.22540	1.2
349.19885	5.4
349.23743	28.4
349.30817	1.2
350.23950	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	22.6
55.01873	18.3
55.05516	27.6
57.03441	20.2
63.71573	1.9
65.03947	3.1
67.05508	80.3
68.88358	1.7
69.03426	3.2
69.06686	3.3
69.07069	67.3
70.16817	7.6
71.05005	3.0
72.00957	1.8
77.03926	2.9
79.05495	65.2
81.03426	30.3
81.07059	88.9
83.04977	13.5
83.08624	11.5
83.98557	1.7
85.06557	4.2
85.72251	2.0
91.05482	75.8
93.07053	68.4
95.01334	22.6
95.04972	23.4
95.08611	62.0
96.08979	2.2
97.06546	26.5
97.10184	4.1
99.08104	2.8
102.31759	1.9
103.05481	3.2
105.03384	9.4
105.04539	3.3
105.07035	100.0
106.77717	2.0
107.04960	49.1
107.08609	31.5
108.05282	2.8
109.06541	7.8
109.10165	10.9
111.08073	3.8
116.06256	2.6
117.07024	23.5
119.08585	49.3
121.06522	7.9
121.10149	10.8
123.04424	4.3
123.08055	13.5
123.11694	2.2
129.07027	6.9
130.07802	2.4
131.08563	34.6
133.06538	4.1
133.10138	57.2
134.10530	2.8
135.08087	6.0
135.11710	13.1
137.09622	4.1
139.07561	4.5
141.07016	5.9
143.08563	6.9
145.06540	8.9
145.10132	26.0
147.11699	21.4
149.09607	11.2
149.13246	9.4
151.11221	2.1
154.07774	2.4
155.08586	5.5
156.51166	1.8
157.10123	5.1
159.08064	2.5
159.11720	20.1
161.13278	8.7
163.11197	5.7
163.14876	2.0
165.09125	2.6
167.08586	2.1
169.10054	9.3
171.11700	3.9
173.13383	3.9
177.12764	11.4
179.14296	23.6
181.10092	3.9
183.11728	8.0
184.12381	3.4
187.11182	9.1
192.09352	1.9
194.11026	2.4
197.13315	2.5
206.10982	2.1
207.11629	3.5
209.13362	2.3
211.14896	2.6
239.18127	2.7
247.20653	3.4
257.19055	7.8
275.20078	48.7
276.20325	3.6
284.08548	1.9
291.17245	2.1
349.24274	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Kolavic acid 15-methyl ester
Peak:m/z	Relative Intensity
50.01614	1.5
51.02385	2.1
53.03946	16.7
53.49076	1.5
55.01873	17.4
55.05511	30.5
57.03439	18.1
57.07084	2.4
65.03954	4.8
67.05504	79.6
69.03435	4.5
69.07068	77.2
70.07391	2.3
71.04989	5.5
71.31206	3.0
77.03918	1.7
79.05494	68.0
79.05962	3.4
80.05811	2.1
81.03418	36.7
81.07056	97.6
82.07374	2.0
83.04984	17.8
83.08624	13.9
84.04514	2.1
85.06549	3.8
91.05480	83.1
92.05788	2.3
93.07043	64.9
94.07397	2.4
95.01328	27.7
95.01877	2.8
95.04970	22.5
95.08607	63.3
96.08977	1.8
97.06535	27.7
97.10191	4.8
99.08082	2.2
103.05479	4.4
105.04561	3.4
105.07028	100.0
106.07377	2.9
107.04955	45.2
107.08605	28.0
108.05349	2.0
108.08930	2.1
109.06533	8.3
109.10162	12.9
111.04496	2.7
111.08081	5.0
113.09649	1.7
115.05472	2.6
117.07016	28.9
117.30240	1.4
119.04881	1.9
119.08582	46.9
120.08910	1.6
121.06505	10.9
121.10126	13.6
123.04434	5.4
123.08076	11.5
123.11700	2.9
125.06043	1.7
125.09641	5.0
128.06323	1.5
129.07004	6.3
130.07828	1.8
131.08566	37.8
133.06465	4.1
133.10126	66.7
134.10463	1.9
135.08041	8.0
135.11688	17.2
136.12050	1.6
137.09628	4.2
139.07574	2.8
140.65800	1.5
141.07014	5.3
143.08606	6.8
145.06512	6.7
145.10135	27.6
147.08087	1.9
147.11679	27.0
149.09608	9.1
149.13225	11.3
151.11263	3.7
153.05527	1.9
154.06313	3.3
155.08568	4.3
157.10152	7.9
159.08067	3.7
159.11696	24.0
161.09633	5.3
161.13271	8.8
163.11232	6.6
163.14836	1.7
165.09108	2.5
169.10130	7.7
171.11705	8.3
173.13202	7.5
175.11142	1.6
177.12770	11.3
179.14302	30.1
181.04982	5.6
181.10149	2.6
183.11690	7.9
185.13197	2.8
187.11179	10.3
194.06052	1.8
195.11659	2.5
196.12497	1.7
197.13319	4.0
201.12776	5.3
205.12325	4.4
208.99831	1.5
209.13295	2.1
213.07582	3.6
215.14404	2.2
219.13837	2.0
223.13216	1.8
229.19531	3.6
239.17978	2.3
247.20647	4.2
257.16260	1.5
257.18967	10.5
275.20096	60.5
276.20422	4.1
285.59903	1.5
334.18994	1.7
349.23697	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	0.7
53.03900	2.0
55.01871	6.1
55.05463	14.7
57.03436	13.6
57.07074	3.0
65.03891	2.1
67.05504	31.7
67.05830	1.3
68.05790	0.7
69.03385	2.4
69.07068	21.3
69.07417	1.0
71.04992	3.1
79.05493	27.8
79.53032	0.7
81.03363	2.0
81.07058	39.6
82.07368	0.9
83.04980	8.6
83.08617	5.9
85.06483	2.1
91.05479	27.6
93.07042	33.2
94.07333	1.0
95.04964	10.3
95.08605	24.3
97.06538	6.1
97.10156	3.1
98.22527	1.3
103.05469	0.8
105.04480	0.8
105.07030	32.6
106.07327	1.2
107.04284	0.9
107.04945	10.4
107.08593	22.0
109.06521	15.3
109.10149	10.2
111.08024	2.5
112.74577	0.6
115.05401	1.2
117.07004	9.9
119.08576	18.8
121.06509	15.5
121.10135	11.7
123.08067	6.3
123.11694	3.7
125.05944	0.6
125.09618	1.4
128.06184	0.9
129.07022	3.5
131.08563	21.0
132.08879	0.7
133.06540	3.8
133.10127	19.6
135.08057	7.7
135.11674	6.0
137.09608	3.3
137.13228	0.7
139.07573	1.0
141.06993	0.9
143.08551	2.8
145.06485	2.8
145.10124	18.0
147.08041	4.9
147.11678	15.0
148.08397	0.7
149.09604	7.4
149.13261	4.2
151.10213	0.6
151.11195	5.6
155.08502	1.9
157.10133	4.1
159.08058	3.3
159.10387	0.8
159.11679	11.0
161.09618	4.9
161.13252	4.9
161.35243	0.6
163.11183	8.0
163.14793	1.2
165.12743	1.5
165.38176	0.6
169.10117	1.7
171.11719	3.5
173.09610	3.7
173.13275	6.1
175.11171	3.8
175.14833	1.4
177.12659	2.5
183.11707	3.3
185.13242	1.7
187.11232	2.8
187.14835	1.7
189.12761	1.0
191.14326	3.9
197.13239	2.3
199.14786	0.9
201.12749	3.7
203.14342	0.8
207.13821	5.2
209.13377	0.7
211.14761	0.7
215.14255	1.9
215.17909	2.5
219.11847	0.9
219.13791	5.2
229.19507	3.6
231.17464	1.2
233.15277	1.0
233.18973	1.2
239.18047	4.1
247.20512	3.8
248.21107	0.7
257.18991	17.9
258.19360	1.4
273.29968	0.7
275.20053	100.0
276.20392	6.7
293.21072	7.6
294.21313	0.7
331.22574	1.2
333.45444	0.6
349.20016	1.7
349.23761	30.4
350.24051	2.9
350.28650	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01878	7.8
55.05513	17.9
57.03442	17.2
57.07075	3.0
60.47157	1.5
65.03932	1.9
67.05507	41.9
69.03426	3.3
69.07074	25.5
69.07407	2.6
69.07686	5.5
69.08103	7.7
69.52274	1.3
71.04996	2.8
79.05496	35.2
81.03421	2.0
81.07054	46.0
82.07427	2.1
83.04985	10.1
83.08606	8.5
85.06548	6.3
91.05485	33.0
91.08148	1.4
93.07048	38.0
95.04980	9.1
95.08605	30.4
97.06557	6.9
97.10165	3.3
98.23339	3.4
99.08068	2.0
105.04525	1.3
105.07037	32.6
107.04971	12.1
107.08586	27.9
109.06525	16.0
109.10170	13.0
110.10503	1.5
110.74322	1.3
111.04411	1.7
111.08099	3.7
115.05490	1.5
117.07017	11.5
119.08589	23.4
121.06509	14.3
121.10143	12.4
123.08061	8.6
123.11733	3.3
125.06017	1.7
125.09576	1.8
127.07557	2.3
128.06264	2.7
129.07028	3.8
131.08574	24.6
132.08942	1.5
133.06494	2.0
133.10127	20.6
135.08080	7.6
135.11671	7.2
137.06012	1.4
137.09641	2.6
141.07008	1.9
142.07759	2.2
143.08588	9.4
145.06476	2.8
145.10141	17.5
147.08031	5.4
147.11690	14.5
149.09616	9.2
149.13248	4.1
151.11188	7.1
155.08563	6.7
156.09305	1.5
157.10133	10.0
159.08046	2.3
159.11731	11.6
161.09627	4.8
161.13307	4.0
163.11223	9.2
165.07018	2.3
166.07799	1.7
167.08549	3.4
168.09367	1.7
169.10110	7.4
171.11726	5.5
173.09639	5.7
173.13278	7.3
175.11197	3.7
175.14905	1.8
177.12772	5.3
178.07767	2.0
179.08571	6.1
179.14293	1.6
180.09312	3.2
181.10092	6.3
183.11726	10.1
185.13266	3.2
187.11160	2.8
187.14685	2.8
191.14331	2.5
192.09418	3.4
193.10059	10.9
194.10889	4.9
195.11752	6.8
197.13286	3.7
199.14839	1.8
201.12747	5.7
203.08539	1.7
205.10132	4.0
206.10919	4.5
207.11703	13.2
207.13637	3.2
208.12466	5.0
209.09613	1.7
209.13257	10.7
210.13757	2.7
211.14780	2.9
215.17953	1.7
217.10149	4.1
218.10857	3.2
219.11688	12.1
219.13692	3.2
220.12398	5.5
221.13229	8.9
222.13985	3.8
223.14813	6.0
225.12878	2.3
229.19377	2.5
231.11694	5.1
232.12422	4.1
233.13266	8.1
234.14040	4.8
235.14764	8.0
237.16525	1.4
239.17979	6.3
244.12408	1.5
245.13345	3.7
246.14035	4.9
247.14890	12.6
247.20651	5.4
248.15392	2.3
249.16344	6.7
250.17125	2.0
251.10637	1.9
251.14417	3.3
251.17816	1.4
257.19000	18.0
258.19382	2.1
259.14880	5.4
260.15680	2.5
261.16406	9.9
263.14087	1.6
265.12323	1.7
273.16254	1.9
274.17059	2.4
275.20105	87.3
276.20517	7.5
278.12875	1.9
279.13788	2.4
289.15961	3.0
289.19458	5.9
291.13748	2.0
293.15271	4.2
293.21115	5.2
303.21039	3.4
304.21631	1.5
306.16043	1.9
307.16971	5.2
313.19543	1.5
320.17590	2.8
321.18506	1.9
331.20355	2.7
334.19128	5.0
349.21268	100.0
350.21744	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01863	6.7
55.05514	19.1
56.96571	1.8
57.03439	18.5
57.07079	4.3
63.26183	1.4
63.57069	1.9
64.33647	1.5
65.03943	3.3
66.52676	1.7
67.05181	2.8
67.05511	44.2
69.03426	2.0
69.07071	32.2
70.09378	1.6
70.74637	1.5
71.04996	2.0
71.29443	1.6
75.84866	1.5
78.68201	1.5
79.05059	2.9
79.05495	40.5
81.03422	3.2
81.07058	43.4
83.04974	9.2
83.08617	6.8
85.06548	3.7
91.05486	31.1
93.07047	41.0
95.04971	13.4
95.08615	29.2
97.06545	8.2
97.10183	2.3
105.07029	39.4
107.04977	11.2
107.08598	28.1
109.06526	16.4
109.10144	8.7
111.08069	3.5
115.05461	1.5
117.07012	11.1
119.08591	25.3
121.06510	13.5
121.10140	13.2
123.08083	8.3
123.11661	3.4
125.09631	2.6
129.06975	4.8
131.08569	18.7
133.06473	4.5
133.10130	21.3
135.08058	6.3
135.10745	1.7
135.11691	6.3
137.09648	2.4
141.06984	2.3
142.07802	2.5
143.08566	7.3
145.06464	1.8
145.10167	22.7
146.10561	1.6
147.08028	5.5
147.11691	16.3
149.09604	10.2
149.13266	4.0
151.11168	6.4
153.06973	1.7
155.08557	5.0
157.10126	7.0
159.08058	3.8
159.11722	11.5
161.09590	4.8
161.13245	5.7
163.11192	9.4
165.07065	1.9
167.08545	3.4
169.10126	5.6
171.11697	5.7
173.09593	3.3
173.13283	7.6
173.71349	1.7
175.11226	3.0
177.12747	3.8
179.08543	4.1
179.10786	1.9
179.14282	3.1
181.10069	3.9
183.11743	5.1
185.13217	2.8
187.11288	4.0
191.08601	2.7
191.14409	2.2
192.09314	2.9
193.10123	5.6
194.10939	2.1
195.11711	4.6
197.13301	3.7
201.12755	4.1
205.10204	3.2
206.10812	1.8
207.07976	2.0
207.11690	8.3
207.13676	3.8
209.13261	9.4
211.14963	2.3
213.16479	2.1
215.14265	2.8
215.17955	2.3
217.10152	3.1
219.11682	5.9
219.13618	3.9
221.13211	4.2
222.14021	4.7
223.14732	3.9
229.19504	5.2
231.11749	3.5
231.17296	2.5
232.12534	2.0
233.13194	6.7
233.19106	2.0
234.14012	2.3
235.14778	2.7
239.17949	4.6
245.13290	1.9
246.13995	1.7
247.14757	6.5
247.20544	4.6
249.16238	3.0
250.16998	2.0
251.10649	2.1
251.14326	3.0
252.50116	1.9
257.19025	17.7
259.14920	2.2
261.16360	5.8
263.80124	1.7
275.20099	100.0
276.20346	7.6
289.19501	5.6
293.15341	2.3
293.21140	7.3
298.07486	1.8
303.20947	2.5
307.16837	2.4
331.20294	2.3
334.19266	4.5
349.17566	2.4
349.21750	58.2
350.21634	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
52.26143	0.7
53.91888	0.7
55.05517	5.7
57.03428	1.0
57.07066	1.9
57.42107	0.7
59.05004	1.1
67.05511	7.4
67.14403	0.7
69.07066	9.8
71.04984	0.8
71.32978	0.9
71.33352	0.8
79.05493	5.8
81.07056	11.8
83.04975	1.4
83.08627	5.1
91.05484	3.3
93.07048	7.5
95.08610	8.9
97.06543	1.9
105.07018	4.5
107.08586	6.9
107.59970	0.9
109.06504	11.2
109.10184	4.1
111.08099	1.9
116.53854	0.9
119.08591	4.0
121.06543	1.0
121.10144	4.8
123.08071	71.9
123.11710	2.7
124.08383	2.1
131.08575	1.8
133.10165	3.1
135.08069	5.5
135.08942	0.8
135.11711	1.8
137.09650	3.9
137.13243	1.3
145.10103	1.8
147.11664	3.6
149.09605	1.3
149.13274	2.4
159.11674	1.4
161.13261	1.8
163.11130	1.1
167.14334	0.8
179.14293	10.3
234.85149	0.8
275.20145	1.9
289.25388	1.5
293.21109	18.1
294.21570	1.7
331.26385	3.5
349.27386	100.0
350.27783	6.6
364.48367	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05511	6.4
57.07072	2.2
67.05508	5.2
69.07074	11.7
69.30341	4.6
71.05009	1.5
71.08630	1.0
75.03906	0.6
79.05503	5.0
80.14330	0.6
81.07060	10.5
83.04963	1.5
83.08620	4.8
85.06525	0.7
89.00352	0.6
91.05473	1.8
93.07041	6.7
95.04975	0.9
95.08604	10.6
97.06539	2.2
97.10155	1.9
105.07034	2.8
107.08607	6.0
109.06519	10.9
109.10166	3.4
111.08083	2.7
117.06968	0.8
119.08596	4.3
121.06532	0.9
121.10114	3.7
122.07416	0.6
123.08073	73.7
123.11704	1.8
124.08404	1.9
125.09687	1.0
131.08620	0.8
133.10147	3.2
135.08073	5.3
135.11671	1.9
137.09631	3.2
145.10136	1.7
147.11681	2.1
149.09660	1.5
149.13264	1.5
151.11156	0.8
159.11716	1.6
161.13228	1.4
165.12766	0.9
167.14330	0.8
173.13222	1.0
177.12700	0.8
179.14305	14.5
179.15765	1.2
180.14735	1.1
196.18234	0.6
198.86696	0.6
215.03964	0.6
233.15376	1.0
233.18890	1.4
275.20099	1.8
280.70187	0.6
289.25476	1.4
293.21118	18.1
303.27115	0.7
303.67358	0.7
331.26413	4.3
349.10788	1.4
349.27396	100.0
350.27618	8.0
350.31415	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	1.2
69.63923	4.6
79.05508	1.4
81.63960	0.9
82.99866	1.2
83.04999	1.1
84.86156	0.8
85.02897	2.3
96.46204	0.9
98.22636	1.3
98.97568	1.4
101.00886	12.5
107.04979	4.0
113.00867	8.3
115.02430	0.9
118.06547	1.5
119.01930	33.2
120.02019	1.6
130.06558	1.1
131.01917	19.6
131.02921	1.1
132.02020	1.2
132.04529	0.9
132.08028	1.3
133.03510	0.9
135.04419	3.0
136.06190	50.2
137.02982	6.5
137.06583	1.1
139.02452	1.5
143.01912	3.3
146.06033	6.1
147.01405	1.5
149.03026	1.6
153.05466	25.8
154.05780	1.0
155.01889	3.2
157.03476	17.8
158.03313	1.0
158.05948	1.8
160.07587	6.5
161.02960	7.3
167.01921	3.4
171.06490	8.8
173.02930	4.4
173.07088	2.8
174.07529	1.5
175.04521	7.7
175.08542	1.4
176.04178	29.5
177.04446	2.1
178.88147	1.0
181.44858	1.1
185.02975	17.8
186.03210	1.0
187.08713	5.6
188.09155	1.5
194.05246	71.5
195.05290	4.7
203.04077	1.7
204.03648	2.4
204.11409	2.6
209.05220	2.9
212.06296	7.4
215.04073	1.2
217.04550	1.2
218.05249	52.1
219.05324	4.8
221.05249	1.8
222.04803	2.0
230.05238	43.6
231.05466	3.5
232.06828	1.8
233.05067	4.5
236.06264	22.5
237.06357	1.7
242.05603	1.0
244.06866	2.5
246.04744	3.1
246.09132	1.1
248.06294	14.9
249.06487	1.4
250.07828	1.8
254.07332	7.0
259.08203	1.1
260.06198	2.0
264.05704	1.3
271.08115	1.0
272.09439	2.0
276.08615	1.1
278.07367	1.8
287.11780	6.9
289.09247	1.2
290.10297	1.2
304.11847	1.2
305.12869	14.4
308.08356	10.0
309.08575	1.3
326.09479	11.5
333.14249	2.9
334.15536	7.3
350.09451	100.0
351.09595	12.6
351.18024	2.6
373.08768	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09414	0.7
51.84269	0.7
53.91521	0.9
57.66899	0.9
61.02924	1.4
65.44329	0.7
69.71153	4.0
79.05486	3.8
85.02890	5.2
92.65378	0.8
97.02895	2.0
98.97564	3.3
101.00879	4.7
107.04950	15.9
113.00882	4.1
116.98642	1.4
118.06557	2.0
119.01113	1.3
119.01922	16.3
121.91172	0.8
125.05996	1.9
127.04023	1.0
130.06552	2.0
131.01920	11.2
135.04420	11.2
136.06190	25.2
137.02942	3.5
137.06503	0.9
143.01895	1.7
146.06020	11.4
147.06490	0.9
153.05466	100.0
154.05843	4.1
155.01845	0.8
157.03458	8.1
158.06015	3.9
158.99701	0.9
160.07579	14.8
161.03026	4.1
161.07983	2.0
163.02718	1.1
167.01910	2.2
171.06534	31.7
172.06941	0.9
173.02943	2.8
173.07133	3.2
174.07533	3.4
175.04529	4.6
175.08488	1.6
176.04175	14.8
177.04276	1.1
185.02966	10.2
186.03186	1.2
187.08665	16.3
188.09056	1.0
194.05240	35.6
195.05464	3.2
203.04051	2.0
204.11311	10.5
205.11577	1.3
209.05238	1.8
212.06277	4.2
218.05234	26.0
218.09923	1.0
219.01811	1.1
219.05293	1.9
221.04950	1.3
222.04904	1.6
230.05212	22.2
231.05161	1.0
232.06917	1.2
233.05132	2.4
234.99060	1.7
236.06277	14.5
237.02834	2.1
237.06525	1.3
239.32701	0.8
246.04726	1.4
246.09189	0.9
248.06326	9.4
254.07338	2.7
258.07803	1.0
260.06409	1.0
272.09332	4.4
275.08002	0.9
277.13458	1.6
278.07144	1.0
287.11780	12.8
289.09399	2.6
290.10159	1.4
299.11740	1.1
304.11798	1.7
305.12842	28.2
308.08414	5.1
309.08575	4.5
316.11685	1.4
317.12814	2.0
326.09387	4.8
331.09952	1.1
333.14496	3.9
334.15533	15.8
350.09442	63.7
350.16913	3.3
351.09607	9.0
351.18201	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44077	6.5
54.60801	6.6
64.26793	7.0
70.64165	18.4
85.02889	10.2
111.04451	26.9
139.03905	88.1
153.59300	7.0
171.06517	100.0
198.05579	8.2
228.06535	14.8
252.06473	14.9
305.12863	7.3
334.09171	39.4
351.11557	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87046	5.9
55.05503	9.7
67.05502	9.4
69.03431	12.7
69.07058	10.0
71.04988	7.6
71.15074	11.8
79.05499	41.3
79.05885	9.3
81.03405	12.9
81.07049	11.8
85.02907	46.6
85.06517	7.0
91.05479	19.1
92.15695	6.3
93.07069	44.4
95.04910	7.5
95.08609	17.6
97.02889	9.7
97.06540	6.8
99.04432	8.9
100.11268	17.6
100.73229	6.1
105.07042	55.6
107.04946	7.7
107.08592	32.1
109.04429	7.0
109.06511	7.7
109.10165	11.1
111.04506	9.2
115.08359	6.6
120.08104	8.0
127.03904	10.2
131.07098	5.8
133.10110	31.9
135.11690	100.0
137.05956	8.6
137.82530	7.3
145.04951	13.8
149.09497	6.7
151.03978	8.3
153.12717	16.6
161.09608	33.3
163.06039	8.1
163.11171	11.7
171.08044	7.5
175.07637	6.7
184.21808	6.1
189.09027	10.6
199.14439	6.1
204.05118	5.7
216.11992	11.8
240.83389	6.8
243.11137	7.8
244.11702	15.9
261.66031	6.6
272.10965	13.8
286.12369	10.2
304.13721	12.0
311.18005	7.3
314.12054	11.7
334.85901	8.0
351.13275	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55983	17.1
67.64969	18.5
69.26196	43.5
69.26604	100.0
81.07049	35.2
93.07031	22.1
97.33508	17.5
109.10200	23.2
120.34029	18.3
125.44627	17.7
135.11765	20.9
153.01921	29.8
153.12729	64.5
154.02138	25.2
168.07300	19.7
265.10529	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68745	9.8
61.09204	10.2
67.05515	18.4
69.03435	13.2
70.44862	20.7
70.45194	24.1
79.05494	46.6
81.07063	41.7
82.63331	12.1
83.04968	14.4
85.02902	45.5
91.05483	36.4
92.05762	12.9
93.07039	57.3
95.04939	11.0
95.08612	18.2
97.02900	15.2
105.07050	64.6
107.08603	53.1
111.04401	13.0
111.08054	16.7
119.08609	25.1
121.10188	13.6
125.09599	13.9
128.59949	12.1
130.06555	14.6
133.10146	73.6
135.11703	100.0
137.05972	17.7
142.08627	21.3
151.90141	11.7
153.09154	58.9
161.09671	39.4
171.10211	26.7
176.07170	24.4
288.28351	12.8
351.14063	29.4
351.17981	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.5
57.60231	6.9
67.05513	20.7
69.03448	9.9
69.07068	11.4
70.42596	8.2
71.29996	10.3
74.53603	7.3
77.37100	7.4
79.05489	13.9
81.07067	26.3
85.02922	20.7
91.05488	13.0
93.07053	37.7
94.69451	7.3
95.08633	26.4
96.11253	8.3
97.02905	11.0
105.07057	33.3
107.08591	48.7
109.10153	100.0
121.10173	10.7
123.11723	8.1
127.96981	7.0
131.08585	8.7
133.10152	11.6
135.11705	60.9
149.09512	6.9
151.11194	10.1
153.12778	11.6
158.95290	7.7
159.11646	8.0
241.03542	7.7
306.20435	8.0
350.28995	33.3
369.57257	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
64.56963	0.3
65.51494	0.5
69.03426	0.4
69.33366	1.9
85.02878	0.6
87.04475	0.3
98.22710	0.6
99.06243	0.2
107.04958	0.6
135.04396	0.3
143.03151	1.0
175.08702	0.3
177.05519	0.3
185.04204	2.2
189.05235	4.5
203.05270	63.5
204.05595	1.4
231.02823	0.9
244.07930	0.4
291.13565	1.3
331.35309	0.3
351.10483	100.0
351.14236	12.5
352.10849	6.5
352.14618	0.9
365.79968	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69975	0.3
65.43337	0.3
79.66053	0.3
83.70224	0.3
88.38180	0.3
160.07587	0.8
161.50362	0.3
187.88940	0.3
189.05289	0.4
319.12964	0.5
333.10950	0.5
351.10477	100.0
352.10809	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30713	0.6
61.02806	1.0
61.03071	1.1
62.14605	0.6
73.86700	0.6
83.07899	0.6
90.83302	0.6
93.06887	0.6
97.02697	0.7
97.79734	0.6
111.04320	0.7
115.05264	2.6
125.43464	0.7
130.06425	0.7
133.85069	0.6
142.06306	5.9
144.08072	3.3
145.02629	0.8
146.05867	0.8
154.06319	2.4
156.07953	0.9
158.05797	1.6
160.07379	2.1
167.07146	1.0
169.05199	3.1
170.05994	15.4
171.06267	1.1
171.09018	1.0
172.07402	1.7
177.05289	2.7
180.08003	1.5
182.05984	11.3
183.06519	0.9
184.03931	5.4
184.07361	2.1
186.05257	2.3
189.05264	0.6
189.10225	0.9
194.05928	1.3
196.03940	14.1
196.07585	5.8
197.04657	5.8
198.05493	34.3
198.08990	1.8
199.06215	4.4
199.08580	1.5
200.06847	2.5
206.53590	0.6
207.06659	1.3
208.03755	1.2
208.07683	3.0
210.05513	8.1
211.06012	0.8
212.06911	2.5
214.04842	1.8
215.07991	0.7
216.06396	1.2
223.06116	0.8
224.07047	18.9
225.04256	1.2
225.07431	1.5
226.03072	0.9
226.04976	10.7
226.08470	2.7
227.05481	0.8
227.08098	1.7
228.06535	25.1
229.06754	1.2
234.05247	1.0
236.07053	3.6
238.04814	2.4
252.06544	43.0
253.06754	2.3
254.08154	3.1
256.05869	0.8
270.07501	2.6
287.10312	0.8
288.08655	3.5
298.06940	1.3
305.11234	5.6
315.09525	0.7
316.08096	1.9
333.10718	4.3
334.09189	100.0
335.09515	6.1
351.11847	23.0
351.15607	2.0
352.12173	1.7
367.17380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1224
Annotation	Indicanine C
Peak:m/z	Relative Intensity
55.01862	0.4
59.05002	0.1
67.05488	0.1
67.69886	0.1
68.99779	0.3
69.06726	0.9
85.02908	0.9
91.05469	0.1
92.65294	0.1
93.07016	0.1
95.08574	0.2
98.22605	0.2
102.09879	0.2
106.61083	0.1
107.08558	0.1
152.06145	0.3
153.06955	0.2
163.05472	0.2
165.05644	0.2
165.06949	1.2
166.07724	0.4
167.08604	0.6
167.09834	0.1
168.05646	0.3
171.08032	0.1
176.06210	0.3
177.06944	0.4
178.07753	1.0
179.08539	2.6
180.09300	0.3
181.06467	0.5
181.10091	0.4
182.07159	0.3
189.06946	3.1
190.07756	3.0
191.05092	0.1
191.08521	2.3
192.05710	0.3
192.09283	1.1
193.06445	0.6
193.10086	1.0
194.07237	1.1
194.10818	0.4
195.08047	1.1
196.08778	0.4
197.05966	0.2
198.06674	0.2
201.07024	0.2
202.07753	2.1
203.08536	2.8
204.05717	0.2
204.09261	0.9
205.06450	2.8
205.10089	1.6
206.07257	1.5
206.10556	0.2
207.08041	7.3
208.08698	1.1
209.05939	0.5
209.09607	1.2
209.13228	0.1
210.06749	0.5
210.10301	0.2
211.07481	0.3
214.07837	0.2
215.06638	0.2
215.08536	1.8
216.09334	0.3
217.06506	0.8
217.10028	0.6
218.07254	7.3
219.08023	8.7
219.11537	0.3
220.05101	0.3
220.08749	3.2
221.06035	3.0
221.09552	4.0
221.11327	0.1
222.06801	1.1
222.10344	2.6
223.03966	0.1
223.07535	1.4
223.11049	0.4
224.08360	1.0
225.05447	0.2
225.09012	0.2
226.06050	0.2
229.06398	0.2
230.07211	0.4
231.04355	0.3
231.08028	2.8
232.05144	0.2
232.08817	3.0
233.06078	1.9
233.09581	8.8
234.06729	2.0
234.10316	2.7
235.07516	16.5
235.10878	1.1
236.04701	0.2
236.05521	0.2
236.08130	2.3
236.11748	0.2
237.05324	0.4
237.09096	1.7
237.12660	0.9
238.06133	0.2
239.06856	0.5
240.04070	0.2
243.08066	0.5
245.05872	0.8
245.09547	0.9
246.06735	2.2
246.10258	0.2
247.07515	7.7
247.11215	0.8
248.04491	0.2
248.05374	0.2
248.08247	4.9
249.05432	2.6
249.09065	8.6
250.06229	1.2
250.09866	12.9
251.07123	1.1
251.10370	1.4
252.07860	0.7
252.11545	0.2
253.04965	0.1
253.08513	0.8
254.05716	0.4
254.09129	0.2
255.06558	1.2
258.06793	0.2
259.07483	1.3
260.08286	2.2
261.05511	0.9
261.09073	7.5
262.06229	1.5
262.09793	5.5
263.06995	11.2
263.10535	2.7
264.07666	2.6
264.11371	1.8
265.08572	4.1
265.12192	8.5
266.05954	0.1
266.09085	0.4
266.12610	0.6
267.06555	0.5
267.10056	0.8
268.07233	0.3
269.08093	0.3
273.05423	0.1
273.09009	0.4
274.06174	0.5
274.09351	0.1
275.06989	3.1
275.10614	1.2
276.07764	4.2
277.05338	0.4
277.08569	11.0
278.05835	1.3
278.09317	18.0
279.06421	1.2
279.09900	2.3
280.07425	0.3
280.10907	2.3
281.08066	0.7
281.10968	0.2
282.08719	0.2
288.07852	0.4
289.05005	0.4
289.08517	2.4
290.05710	1.4
290.09296	2.7
291.06454	2.8
291.10089	9.4
292.07260	1.1
292.10822	6.6
293.08051	6.3
293.11649	17.4
294.08676	1.5
294.12042	1.3
295.06189	0.1
295.09576	0.3
303.06409	0.4
303.10043	0.3
304.07272	2.6
304.10370	0.1
305.08063	8.2
305.11496	0.4
306.05273	0.4
306.08731	5.3
307.05927	0.4
307.09460	1.6
308.10391	6.6
309.07571	0.2
309.10843	0.7
318.08780	0.5
319.09628	8.3
320.10373	11.6
321.07507	2.6
321.11072	17.1
322.08142	0.7
322.11578	1.6
323.12744	6.2
324.13049	0.5
335.09079	0.3
336.09860	3.6
337.10294	0.4
349.10843	0.3
351.12222	100.0
352.12564	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	1.1
67.05485	0.2
71.30747	0.3
79.05485	0.4
81.07066	0.4
90.90560	0.2
91.05482	12.9
93.78110	0.2
95.08608	0.6
97.10210	0.2
98.07030	0.2
98.97562	0.2
109.10164	0.2
115.31709	0.2
119.04945	27.0
119.08585	0.4
120.05283	1.0
121.10116	0.2
122.87732	0.2
130.06465	0.4
130.68535	0.3
132.08055	0.6
133.10182	0.3
137.05943	0.3
145.10112	0.3
146.06004	0.4
147.04407	100.0
148.04745	3.5
157.10158	0.2
159.09192	2.6
177.05502	0.3
185.04298	0.3
188.07028	0.7
189.07161	0.2
189.08981	0.2
218.67020	0.2
228.28912	0.2
231.07962	0.4
248.08156	0.2
276.07828	0.3
319.09653	0.5
321.10760	0.3
333.24048	0.2
351.14212	1.2
351.21606	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66772	0.6
56.16185	0.6
57.03427	3.0
64.93211	0.6
69.03437	1.0
69.07052	0.7
71.29927	0.8
73.02901	3.1
73.63924	0.6
82.57151	0.6
83.89505	0.6
85.02910	0.8
91.05508	1.0
93.07047	1.3
95.08604	1.4
99.08074	0.7
105.07025	0.8
107.08554	0.7
109.10193	1.0
110.10488	1.1
120.08060	0.8
123.08093	0.7
128.06262	1.4
129.07024	1.0
131.08586	2.2
137.05974	0.9
141.07016	1.5
143.08580	2.4
147.04361	0.7
154.13014	0.7
158.07324	0.6
159.08141	0.7
160.05222	0.7
162.06715	0.7
171.08046	2.2
174.06786	2.5
175.07498	1.7
189.09094	4.0
201.09073	1.3
203.10695	6.1
207.10294	0.7
219.10150	10.8
220.10631	0.6
309.23859	0.6
351.14145	100.0
352.14429	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62012	0.3
56.50853	0.3
61.85950	0.3
64.84434	0.3
68.59575	0.4
69.03445	0.6
71.04956	0.4
81.07030	0.5
84.08138	0.4
91.05471	0.5
95.04955	0.4
97.02901	0.4
98.22698	0.7
105.07032	0.4
109.02821	0.4
113.06033	0.6
117.03378	0.9
120.08109	0.4
137.05954	0.5
145.02835	2.0
145.10121	0.4
147.04376	0.4
149.05984	0.4
172.07527	0.4
173.08116	1.0
174.19545	0.4
175.08676	1.4
177.05434	3.4
183.45169	0.3
188.09447	0.5
189.10188	0.5
197.10812	0.4
198.09151	0.6
199.08696	3.5
200.09451	9.4
201.10220	10.8
202.10828	1.2
206.10429	0.4
212.09430	0.6
213.08318	0.7
213.10231	9.3
214.10999	6.2
215.11797	22.9
216.12334	2.1
217.09665	2.5
219.11276	10.9
226.10925	2.2
227.08163	0.9
227.11691	1.2
228.08945	0.7
228.12598	3.7
230.07838	0.4
231.11259	3.3
232.12018	1.0
233.12917	0.5
241.09781	2.8
241.13321	6.0
242.10481	12.6
242.14128	0.9
243.11230	3.1
245.09232	0.8
251.11728	0.4
254.10492	1.7
255.11220	0.8
256.12067	3.7
257.12448	0.5
259.10757	3.7
260.11554	4.9
261.12256	1.0
269.12845	4.3
270.13486	0.8
271.14362	0.9
272.11563	0.8
274.13110	1.1
277.11798	3.9
282.10068	0.7
287.13907	2.7
288.14709	0.8
289.15475	0.5
297.12320	7.7
298.12546	0.6
300.11017	3.3
301.11200	0.4
305.14590	0.5
315.13373	17.7
316.13660	1.3
333.11020	0.9
333.14429	18.9
334.14746	1.4
341.86041	0.4
351.15479	100.0
352.11282	0.4
352.15829	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.3
69.70973	3.6
84.08155	1.2
98.22649	1.0
98.97583	3.6
100.39028	0.9
107.04995	1.4
116.98631	1.9
117.37925	0.9
118.06559	7.5
119.01941	1.7
130.06523	8.4
132.08072	1.9
136.06200	2.3
145.07585	1.4
146.06007	42.0
147.06654	3.2
153.05481	3.6
154.05823	3.5
158.06035	17.1
159.06741	1.5
160.07574	23.5
161.07947	3.9
162.09244	1.0
171.06557	1.1
172.07614	1.6
173.07043	1.8
174.07903	2.5
175.08621	3.9
177.00771	1.0
177.04430	1.1
181.03433	1.0
187.08635	6.5
188.09109	4.9
189.10280	1.4
192.11357	1.2
195.05431	1.8
204.11331	2.7
205.11671	2.5
218.05222	1.2
218.09746	1.3
219.01839	1.2
219.05507	2.0
223.04596	1.1
225.10217	1.1
231.06976	5.6
232.07591	2.4
237.02893	1.8
237.06122	0.9
245.08467	1.5
246.09274	7.3
247.09328	1.0
248.09155	0.9
257.07147	3.2
258.07791	2.1
259.04654	1.0
259.08539	1.9
259.12234	4.4
262.11044	3.9
270.08228	1.1
271.08905	1.1
272.09418	13.2
273.10056	4.5
275.08289	5.7
276.08868	2.6
277.09824	0.8
277.13303	4.1
285.10352	1.4
286.10904	1.3
287.11774	49.0
288.09106	1.9
288.12247	4.4
289.09689	3.1
290.10391	4.9
291.11224	2.1
299.11810	2.4
302.10303	1.5
305.12827	100.0
306.13120	9.9
307.06604	2.2
309.08511	5.4
315.81329	0.9
317.12851	8.9
334.15488	61.0
335.15710	4.0
336.06961	4.1
351.09586	6.9
351.18179	21.0
352.18558	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45017	4.3
53.03962	6.0
55.01879	11.0
55.05517	17.0
56.96566	26.3
57.03440	8.5
67.05501	47.6
69.07063	18.6
69.20574	30.7
71.08631	9.3
71.95277	4.6
79.05492	54.6
79.71176	4.2
81.07065	61.9
83.08613	9.9
85.06584	4.9
91.05482	46.1
93.07055	75.0
95.04968	20.7
95.08610	48.1
97.06535	9.8
97.10165	4.8
99.08073	7.5
100.58793	4.5
101.90556	4.9
105.07023	63.1
107.08604	43.5
109.06520	51.2
109.10172	19.5
117.07044	15.3
119.08584	64.8
121.06526	12.7
121.10150	35.1
123.08042	7.5
129.06998	9.6
131.08543	16.9
133.10136	51.1
135.08099	6.9
135.11664	34.7
137.09641	6.0
143.08597	8.9
145.10149	29.8
147.11665	42.0
149.09593	11.3
149.13278	15.6
157.10193	10.7
159.11734	19.1
161.13304	37.9
163.11211	9.5
163.14861	5.1
165.12759	38.0
171.11784	15.0
173.13332	15.8
175.11351	5.9
175.14839	12.2
185.13271	13.5
191.14383	6.1
196.12532	5.2
199.14795	7.3
207.08025	4.9
218.07228	7.0
229.07652	4.8
233.09631	13.5
235.07573	10.0
237.12767	5.7
241.19499	27.4
247.07671	13.9
255.09052	11.4
259.20569	91.6
260.97464	4.8
261.09219	11.6
261.89767	4.9
262.06238	9.3
262.09793	6.0
263.06992	15.6
263.10645	9.2
265.08694	13.9
265.12262	5.5
268.09293	5.8
269.10660	19.1
273.09863	7.0
275.06931	5.4
276.07739	7.7
277.08640	15.9
278.09201	9.1
279.10150	8.3
285.10056	14.3
287.11649	6.6
289.21570	52.0
290.09540	5.4
291.06595	10.6
291.10022	10.2
293.08051	14.5
293.11743	16.3
305.08026	21.5
306.08655	7.4
307.06055	5.5
307.09445	10.9
308.10660	7.8
319.09671	16.2
321.07654	7.6
321.11108	9.1
323.12631	10.7
333.17526	9.3
336.09885	20.4
337.10721	18.7
351.12265	73.4
351.18594	22.9
351.25446	100.0
352.13062	53.1
352.25592	7.4
369.19476	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2144
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
56.96565	0.8
66.14529	0.5
67.05498	1.2
69.07080	0.5
69.32709	3.1
69.56797	0.4
71.08638	0.5
72.93013	0.5
79.05485	1.1
81.07057	1.7
86.21622	0.4
91.05486	0.6
93.07041	1.6
95.08611	1.0
105.07030	1.0
107.08596	0.9
116.98600	0.5
119.08635	1.1
121.10178	0.9
122.77683	0.5
133.10138	0.9
145.10077	0.7
147.11674	1.0
149.13252	0.5
157.10179	0.5
159.11736	0.6
186.04042	0.5
259.20654	1.1
277.21707	1.2
283.59460	0.5
315.24908	0.5
327.14645	0.7
333.20270	1.1
351.21417	100.0
352.21747	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2141
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.01873	1.0
67.05489	0.7
69.07064	0.6
70.48936	1.1
71.20224	0.4
78.01832	0.4
79.05496	1.3
81.07040	1.9
83.08621	0.4
91.05491	0.9
93.07047	0.6
95.08589	0.9
97.25139	0.4
105.07024	0.9
107.08556	0.9
109.10143	0.5
119.08592	1.2
121.10123	0.5
133.10185	0.4
137.09604	0.5
155.49347	0.4
155.89603	0.4
161.13263	0.6
167.82622	0.4
277.21686	1.1
319.09665	0.5
324.83969	0.5
333.19965	0.7
351.21405	100.0
352.21732	8.0
352.25699	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.8
55.01874	7.8
55.05511	16.0
57.03428	4.1
57.07078	8.3
65.03944	1.0
67.05507	30.6
68.05836	0.8
69.03420	2.7
69.07064	19.3
69.07562	7.7
71.04970	2.5
71.08638	10.4
79.05055	1.4
79.05493	19.4
81.02975	0.7
81.03413	19.0
81.07057	31.9
83.04987	5.8
83.05388	0.9
83.08619	5.5
85.06538	4.9
91.05484	16.4
93.07043	24.0
94.07357	1.4
95.04973	29.8
95.08608	21.3
97.06532	6.4
97.10163	3.2
99.04442	1.7
99.08086	8.0
105.07033	15.9
107.04905	1.0
107.08598	15.7
107.43367	0.8
109.06522	39.2
109.10169	11.6
111.08053	3.2
111.11725	0.9
117.07043	3.5
119.08572	14.2
121.06506	7.8
121.10151	9.2
123.08035	6.2
123.11719	3.3
125.09626	2.7
129.07027	1.8
131.08560	5.7
133.10121	8.7
133.12962	0.8
135.08052	6.2
135.11711	4.5
137.09572	6.5
137.13286	1.7
139.11188	1.6
140.45058	1.0
141.09114	0.9
143.10660	0.8
145.10139	4.9
147.08066	1.7
147.11656	6.4
149.09634	3.1
149.13235	4.2
151.11188	15.7
151.14803	1.3
153.09142	1.9
153.12767	1.9
157.10144	2.1
159.11731	3.7
161.13254	5.8
163.11159	4.4
163.14760	3.1
164.36577	1.0
165.12753	100.0
166.13101	4.0
168.16435	0.8
171.11760	2.2
173.13266	4.8
175.11139	1.8
175.14803	2.4
177.12752	3.4
178.87814	0.8
179.14377	4.6
181.15825	1.8
185.13231	1.5
191.14290	7.9
193.12253	1.3
201.16393	0.9
205.09984	0.9
205.15831	1.0
219.08031	2.0
220.08820	1.5
221.15381	1.1
229.14146	1.2
231.08006	1.1
231.21130	2.5
232.08990	1.1
233.09598	2.3
233.15306	1.6
234.10129	1.1
235.07584	4.7
237.09042	1.6
243.20978	1.7
247.07581	3.0
249.09000	1.8
249.22101	1.9
250.09778	1.3
250.39651	1.0
251.23746	0.9
258.75903	0.9
259.20599	1.6
261.09122	2.2
261.19547	0.8
261.22076	5.5
262.10019	1.6
263.07022	3.5
263.10693	1.3
264.07776	1.1
265.08728	2.0
265.12268	2.6
271.20569	2.7
275.07111	1.5
277.08539	3.6
277.21658	18.6
278.09378	5.5
278.21826	2.4
279.09909	1.8
289.21616	41.2
290.21906	2.7
291.06711	1.9
291.10028	2.3
293.08078	4.7
293.11710	6.0
295.18884	3.1
304.07364	1.3
305.08041	3.6
306.08792	1.5
307.09308	1.6
307.22687	1.4
308.10339	1.6
309.07813	1.2
309.11047	2.0
319.09686	3.2
320.10550	5.0
321.07446	4.3
321.11191	7.9
322.08252	1.3
322.11835	2.0
323.09192	1.5
323.12677	2.0
333.24225	9.7
336.09808	6.1
337.10684	4.1
351.08627	1.9
351.12265	33.6
351.25287	85.7
352.09100	1.9
352.12860	7.2
352.25494	8.2
352.31821	2.6
370.92255	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.4
54.39323	2.3
55.01871	3.3
55.05513	21.3
57.03440	19.2
57.07055	4.9
58.05301	2.2
67.05138	2.8
67.05502	57.3
69.07072	19.4
69.19654	11.7
69.20065	5.2
71.04996	4.9
71.08633	59.7
71.43517	2.0
72.08946	2.1
72.88978	2.2
79.05495	49.6
79.05957	2.6
81.03417	6.7
81.07057	56.1
83.04980	13.6
83.08616	12.0
85.06564	3.7
91.05478	32.5
93.07044	64.5
95.04974	12.3
95.08607	43.0
97.06551	10.7
97.10157	3.7
99.08094	38.1
105.07039	21.6
106.53719	2.1
107.04977	7.6
107.08594	33.0
109.06515	5.0
109.10171	16.1
117.06995	5.5
119.08569	19.5
121.10165	25.7
123.11749	3.1
129.07027	2.4
131.08578	6.7
133.10138	17.0
135.11678	33.6
137.09641	5.0
141.09103	4.0
143.08528	3.9
145.10138	6.5
147.11674	9.6
149.09627	3.4
149.13271	13.3
151.11171	20.5
153.12654	5.1
159.11658	4.3
159.99030	1.9
161.13251	10.7
163.11223	7.4
163.14816	2.6
167.10664	4.7
171.11658	4.5
175.14796	3.9
177.12735	2.8
179.14311	100.0
180.14680	5.8
185.13268	3.3
189.12766	3.1
221.15329	3.0
235.07588	4.0
235.16989	3.3
241.19629	2.7
251.10854	2.6
259.20554	5.6
263.10669	3.8
265.05115	2.4
265.07993	2.4
265.12411	2.9
276.07733	3.7
277.08655	4.2
277.21643	37.4
278.05798	2.2
278.22104	2.1
290.09451	2.9
291.06964	3.5
291.10202	13.0
293.11713	3.5
299.97372	2.1
305.11661	9.5
306.09125	3.6
306.12473	26.1
307.09799	4.5
307.13391	6.6
309.07901	3.7
320.14102	4.6
321.07785	4.2
321.11185	19.1
322.11819	6.8
335.12836	6.2
336.09830	4.3
336.13538	9.7
337.14316	26.9
351.09262	9.7
351.12164	9.9
351.15964	59.4
351.25381	25.5
352.09854	3.7
352.16614	48.8
352.25699	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.2
55.05513	18.9
57.03437	10.0
57.07067	3.5
65.03935	2.5
67.05504	53.9
69.07069	18.5
70.02522	1.0
71.04990	4.4
71.08626	3.2
75.04472	2.3
77.03919	1.7
79.05492	71.8
80.05830	1.4
81.03437	1.1
81.07054	55.4
82.07390	1.7
83.04967	2.4
83.08630	7.0
85.06548	5.5
91.05482	56.0
92.05838	2.1
93.07043	94.1
94.07408	2.3
95.04966	4.5
95.08604	41.7
97.06529	4.4
97.10171	3.7
97.54417	1.2
99.08104	6.2
100.34402	1.1
101.06013	1.3
105.04534	1.2
105.07028	56.1
106.07339	1.2
107.08592	51.7
107.33084	1.1
108.08932	2.2
109.06532	4.1
109.10143	14.1
111.08134	2.1
113.09695	1.4
115.05470	2.2
117.07008	11.6
119.08575	51.3
120.08880	2.0
121.06535	1.2
121.10137	43.4
123.08073	2.2
123.11703	3.3
125.09608	2.2
127.11143	1.4
128.06216	1.6
129.06996	7.4
131.08566	22.6
131.09485	1.8
133.10126	46.3
134.10500	2.2
135.08073	2.7
135.11690	44.5
136.12053	1.7
137.09637	2.0
139.11121	1.2
143.08553	10.7
145.10117	23.1
147.11682	54.4
148.12030	2.3
149.09656	2.5
149.13260	28.3
151.11171	2.7
157.10127	10.5
159.11687	21.5
161.09685	3.2
161.13243	33.6
161.14551	2.0
162.13597	1.4
163.11215	4.1
163.14835	9.9
165.12843	1.3
169.10132	1.7
171.11685	15.6
173.13255	11.1
175.11159	2.8
175.14821	20.4
177.12796	3.7
177.16370	1.9
179.14310	4.6
185.13264	16.8
187.14865	3.1
189.12794	3.3
189.16423	2.4
197.13420	1.3
199.14775	7.5
201.16295	1.2
203.14276	2.9
208.65240	1.2
213.16357	4.5
217.15950	1.5
217.19566	4.5
221.15416	1.3
231.17542	3.1
231.21095	10.4
235.17201	1.2
241.19502	39.4
242.19904	2.0
259.20569	100.0
260.20938	7.9
277.21640	16.1
278.21957	2.0
288.82968	1.3
299.01639	1.3
333.20877	1.9
333.24139	9.1
346.76608	1.6
351.25333	60.7
352.25772	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80635	1.8
53.03934	4.3
55.01862	2.6
55.05512	17.7
57.03437	9.3
65.03957	1.9
67.05507	52.5
69.07076	18.5
69.38949	9.8
71.04989	4.0
72.15996	1.7
73.06512	1.6
77.00169	1.6
79.05495	65.2
81.06580	3.1
81.07058	55.1
83.04974	1.9
83.08610	7.6
85.06538	4.9
91.05481	54.9
93.07044	94.9
95.04952	4.8
95.08611	42.8
97.06523	4.0
97.10138	4.6
99.08096	4.0
105.04501	3.1
105.07030	55.7
107.08595	56.0
108.08923	2.3
109.06495	3.8
109.10143	15.9
111.08082	2.0
113.80574	1.7
117.07011	11.4
119.08581	51.4
120.08962	2.4
121.10151	42.2
123.11716	5.5
125.09650	2.5
129.06969	8.3
131.08571	20.9
133.10132	52.1
135.11691	50.0
136.12050	2.1
141.01610	1.7
143.08585	12.7
145.10107	21.3
147.11687	45.8
148.12048	1.9
149.09608	3.6
149.13258	29.7
151.11259	3.0
157.10129	10.8
159.11691	21.1
161.13258	30.2
163.11143	2.2
163.14848	10.2
165.12833	2.2
167.08595	1.8
171.11714	16.2
173.13292	13.5
174.13522	2.1
175.11270	2.3
175.14827	14.3
177.12659	3.9
183.11758	2.9
185.13226	15.2
187.14822	4.7
189.12762	2.5
192.09383	2.1
197.13300	2.5
199.14841	4.8
201.16380	2.6
209.13139	2.3
213.16415	4.8
215.17982	3.9
221.15253	2.4
231.17447	3.1
231.21016	6.9
235.07416	3.7
235.14758	2.0
241.19516	45.3
247.07635	2.6
248.08438	2.3
249.09012	2.4
250.09808	3.3
259.20572	100.0
260.20856	7.5
261.09070	1.9
263.07071	4.3
276.07803	3.2
277.08505	5.4
277.21774	14.0
278.09390	7.2
279.09872	2.9
291.10059	2.6
293.08044	6.7
293.11368	3.4
305.08151	5.0
319.09674	3.0
320.10278	4.8
321.07428	4.5
321.11115	5.3
323.12683	3.5
333.24429	9.7
336.10007	10.3
337.10568	6.8
351.12305	46.1
351.25543	52.6
352.12891	8.2
352.25790	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.4
55.01864	2.5
55.05510	18.8
57.03436	11.6
57.07065	5.4
58.85614	1.5
58.86043	1.5
60.68525	1.8
62.95898	1.4
65.03940	2.2
67.05505	53.8
69.07068	21.5
71.04988	3.8
71.08607	2.5
71.29034	2.2
72.64435	1.5
75.04476	1.8
77.03924	1.7
79.05495	69.0
80.05827	2.2
81.07056	80.7
82.07391	2.5
83.04989	5.3
83.08612	9.1
85.06540	8.3
91.05480	58.5
93.07041	95.8
94.07349	2.4
95.04977	6.8
95.08607	51.5
96.08907	1.8
97.06513	6.0
97.10185	5.7
99.04474	1.6
99.08095	7.0
105.07030	60.1
107.05006	1.4
107.08591	61.6
109.06496	10.4
109.10159	17.7
111.04460	3.9
111.08082	4.2
113.09643	3.5
115.05458	1.8
117.07023	12.0
119.08579	55.2
121.10136	47.3
123.08089	4.6
123.11681	7.3
125.09620	2.3
129.07018	12.2
130.07764	1.7
131.08565	21.3
133.10133	52.6
135.08070	4.4
135.11693	49.4
136.12001	2.9
137.05966	28.0
137.09625	2.5
137.13156	2.1
143.08557	10.5
145.10121	22.8
147.08054	2.2
147.11688	58.4
148.12094	2.1
149.09657	4.5
149.13264	32.2
151.07547	1.7
151.11191	6.3
157.10133	11.5
159.04210	1.9
159.11694	21.4
161.09615	2.3
161.13261	37.2
161.14572	2.8
163.11185	4.8
163.14816	12.3
169.10165	2.7
171.11708	14.9
173.13275	10.5
175.11183	4.6
175.14793	19.5
177.12790	3.4
179.10693	1.8
179.14336	3.5
185.09589	1.7
185.13269	13.0
187.14861	5.2
189.12770	4.2
189.16478	2.1
193.12239	3.6
199.14798	9.0
201.16541	1.6
203.14287	5.1
207.13852	2.8
209.13205	2.2
213.16367	6.0
217.15967	2.2
217.19528	4.6
221.15331	2.3
221.18881	1.8
231.17503	5.8
231.21014	10.1
235.17003	1.9
241.19504	36.8
242.19958	3.4
259.20575	100.0
260.20840	7.6
264.37830	1.7
277.18073	9.8
277.21658	18.0
305.24860	2.2
311.63992	1.5
315.23175	3.5
333.20691	2.8
333.24225	14.0
351.21423	5.7
351.25327	61.1
352.25632	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.8
55.01879	2.9
55.05512	18.2
57.03443	6.9
57.07080	3.8
63.95195	1.2
65.03956	2.9
67.05505	47.4
67.15708	1.1
68.05861	1.4
69.07065	15.1
69.35691	5.3
69.36099	2.7
71.05012	2.6
71.08632	8.2
75.04490	2.1
79.05494	63.2
80.05835	1.4
81.07058	55.1
82.07407	2.5
83.05017	2.0
83.08627	7.6
84.20859	1.0
85.06551	3.2
91.05482	66.5
93.07043	78.9
94.07357	1.6
95.04967	6.4
95.08607	41.6
97.06572	3.7
97.10176	2.2
98.23344	1.6
99.08086	7.8
101.86687	1.2
105.07029	68.0
106.07414	1.4
107.04984	1.8
107.08594	42.5
109.06555	4.4
109.10151	11.7
113.09693	1.5
115.05437	2.3
117.07024	14.1
117.07714	1.3
119.08581	61.2
120.08993	1.5
121.06589	1.6
121.10144	36.8
122.10503	1.6
123.08125	1.8
123.11742	4.4
125.09664	1.9
128.06311	2.6
129.07011	11.8
131.08557	21.9
133.10127	53.7
134.10513	2.0
135.08148	2.1
135.11694	33.7
137.09610	2.4
139.11281	1.7
142.07811	2.7
143.08565	11.5
145.10129	27.0
145.11215	1.5
146.10643	1.5
147.11687	53.0
148.12038	2.0
149.09677	3.5
149.13275	24.2
151.11259	4.4
155.08641	1.5
157.10114	11.5
159.08134	1.7
159.11691	21.0
161.02577	1.0
161.09656	2.9
161.13260	38.9
162.13605	1.7
163.11267	3.4
163.14874	6.8
165.12798	1.4
169.10132	1.9
170.11006	1.4
171.11700	18.0
173.13275	12.4
175.11235	1.6
175.14812	19.3
177.12769	3.3
179.14444	3.6
181.10155	1.4
183.11789	3.4
185.09747	1.4
185.13260	15.4
186.13724	1.5
187.14922	3.7
189.12843	3.3
189.16551	1.7
197.13322	1.3
199.14777	8.6
201.16470	1.5
201.32060	1.2
203.14398	2.6
211.14967	3.4
213.16492	5.3
215.18069	1.4
215.95181	1.1
217.15956	1.4
217.19653	4.7
231.17578	2.5
231.21094	8.0
241.19508	35.1
241.21849	2.2
242.19920	2.5
259.20575	100.0
260.21069	4.6
261.22250	1.8
265.05136	1.8
266.09579	1.9
277.21811	5.0
294.05508	1.6
294.09091	1.4
309.07864	2.2
309.11258	2.6
315.68433	1.2
320.30582	1.6
333.24637	2.5
337.11002	4.9
351.08670	2.4
351.25500	43.9
352.13339	3.2
352.25891	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
55.01867	2.5
55.05513	15.8
57.03422	5.9
57.07068	4.2
65.03924	2.4
67.05506	41.1
68.05829	2.1
69.02099	1.5
69.02409	13.0
69.07068	13.9
71.05003	3.0
71.08645	6.9
71.97945	1.2
72.05352	1.3
75.04469	1.8
79.05492	49.7
80.05822	2.1
81.03411	1.6
81.07056	48.2
82.79612	1.3
83.04976	3.3
83.08617	6.5
85.06521	2.8
91.05480	51.6
93.07044	65.7
94.07407	3.3
95.04962	4.9
95.08607	33.2
95.58612	1.3
97.06525	5.1
97.10150	3.3
99.08099	9.2
105.07030	51.3
107.08593	35.6
108.08929	2.1
109.06512	4.0
109.10142	12.0
111.08080	2.0
113.09634	2.6
117.07016	14.5
119.08583	52.0
119.09456	2.7
121.10149	25.4
123.08043	3.0
123.11686	4.0
125.09655	2.8
129.07011	10.3
131.08563	18.3
133.10123	37.1
134.10455	3.9
135.08049	2.5
135.11688	28.5
136.11987	2.1
137.09615	1.6
137.88405	1.4
142.07777	1.8
143.08531	8.1
145.10104	19.8
147.11690	44.5
147.67967	1.2
148.12000	1.9
149.09613	2.3
149.13246	19.1
151.11197	3.6
157.10123	10.9
159.11700	19.4
161.09616	2.1
161.13252	36.7
162.05670	1.6
162.13632	2.0
163.11174	4.3
163.14807	6.5
171.11719	11.0
173.13264	8.9
175.11235	3.2
175.14851	18.8
177.12785	3.9
179.14326	2.3
184.38840	1.3
185.13228	10.5
187.14923	3.0
199.14799	5.8
203.14339	2.3
213.16377	5.2
217.16017	1.5
231.17395	3.5
231.21049	8.5
241.19499	28.3
242.19823	2.7
259.20572	79.6
260.20917	7.8
277.21561	5.5
333.20383	16.7
333.23993	2.7
334.20801	1.7
351.21365	100.0
351.25302	43.8
352.21762	8.4
352.25705	4.3
352.42062	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
54.99314	1.8
55.01873	18.6
55.05515	25.7
55.09490	1.7
56.19251	1.7
57.03442	3.1
57.07069	7.0
57.09566	1.6
65.03957	2.0
67.05505	38.0
69.03422	7.2
69.07069	25.1
71.04994	5.1
71.08624	7.6
71.29932	3.2
79.05499	27.9
81.03466	1.8
81.07059	52.9
83.04974	9.5
83.08616	6.3
85.06091	1.9
85.06538	12.3
91.05479	31.6
93.07047	42.8
95.04968	25.7
95.08605	46.7
97.06524	19.0
97.10163	4.9
99.04456	2.9
99.08092	6.8
105.03370	2.5
105.07024	33.9
107.04971	2.7
107.08598	29.3
109.06519	100.0
109.10176	13.0
110.06852	2.4
111.08075	3.5
115.05470	2.1
117.07019	10.8
119.08577	34.4
121.06499	22.8
121.10151	17.6
123.08063	19.6
123.11739	3.7
125.09636	5.3
129.07004	7.9
131.08566	20.0
133.06509	3.0
133.10120	17.0
135.08083	14.6
135.11696	8.7
137.09619	8.5
141.07004	4.7
142.07790	5.2
143.08549	14.5
143.10652	3.2
144.09297	3.2
145.10117	27.1
147.08046	5.0
147.11656	16.2
149.09647	10.3
149.13286	3.9
151.11169	2.4
153.07027	2.4
153.12738	2.2
154.07663	2.7
155.08574	9.8
156.09456	3.3
157.10147	15.9
159.08090	3.1
159.11708	14.2
161.09624	9.2
161.13254	12.6
163.11188	23.8
165.06934	2.5
165.12753	83.5
166.07765	2.3
166.13161	2.6
167.08600	5.3
169.10149	13.9
170.10828	2.1
171.11678	10.8
173.09639	6.4
173.13297	12.6
175.11180	15.2
177.12689	1.9
179.08601	5.8
179.14304	2.2
180.09293	2.6
181.10143	7.1
182.10889	6.1
183.11662	12.7
185.09647	3.2
185.13297	9.5
187.11218	5.7
187.14847	5.4
189.12738	11.4
191.14304	11.0
193.10083	6.3
194.10933	3.2
195.11652	10.8
196.12448	3.5
197.13300	12.7
199.11258	2.1
199.14865	5.6
200.15866	2.1
201.12752	4.4
207.11726	5.1
208.12364	2.9
209.13304	12.0
210.13797	2.9
211.11382	2.7
211.14809	21.1
213.12814	4.2
213.16286	3.4
215.14334	6.7
219.11589	2.7
221.13239	3.8
221.15291	4.4
222.14041	4.1
223.14888	6.3
225.12755	5.1
225.16566	2.2
227.14375	13.0
229.14127	3.5
229.16054	3.8
233.13263	3.1
233.15417	6.4
235.14803	4.4
237.12666	2.0
237.16496	9.0
239.14290	4.5
239.17921	2.0
241.19557	2.8
243.21191	2.0
249.16347	3.4
251.18034	2.2
252.18765	2.9
255.17467	26.2
256.17841	2.9
261.22098	8.0
263.18027	2.6
265.19467	2.0
270.59558	2.1
271.20715	4.0
275.17856	3.2
277.85944	1.9
289.21606	88.8
290.21985	5.0
291.17490	2.6
293.18991	7.2
295.19070	5.7
305.22644	3.1
323.23691	6.5
333.22241	9.7
351.08612	3.6
351.12634	2.5
351.25247	93.3
352.25540	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	20.3
62.37437	7.2
67.05518	53.0
69.03394	8.9
69.07064	53.9
69.15147	47.6
71.04994	13.4
79.05482	47.7
81.07060	69.0
83.08615	24.6
91.05473	53.0
93.07043	77.6
95.04985	19.4
95.08604	81.6
97.06507	23.9
99.08054	8.6
105.07024	84.8
107.08590	48.8
108.53281	7.4
109.06545	10.3
109.10156	53.5
111.08085	9.5
115.05471	9.6
117.06985	16.8
119.08596	100.0
121.06479	10.9
121.10147	58.5
123.11734	14.7
129.06989	11.1
131.08539	38.3
133.10138	35.7
135.08069	14.1
135.11734	10.2
142.07747	14.4
143.08583	25.1
145.10136	55.9
147.11702	30.9
149.09605	12.2
155.08531	10.0
157.10199	43.2
159.11765	23.4
161.09650	41.9
161.13258	18.5
169.10266	9.0
171.11710	33.6
173.13242	18.0
175.11275	9.9
175.14842	16.9
177.16371	12.6
181.10208	8.1
183.11693	15.5
185.13206	15.7
187.14928	9.6
189.16368	9.7
197.13261	14.5
197.15718	7.6
199.15010	9.5
201.16217	9.8
209.13283	18.4
211.14752	10.2
227.84904	7.8
255.21150	8.1
260.50980	9.8
333.25992	11.7
342.59869	7.6
351.26645	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72795	3.5
53.03932	3.8
54.13964	3.0
55.05513	34.7
57.07074	51.7
59.04998	5.9
60.08166	4.2
61.50852	3.0
66.84340	2.7
67.05505	49.2
69.03438	4.0
69.06722	6.1
69.07067	68.8
69.42533	3.1
70.55589	3.1
70.72002	3.2
71.04998	11.2
71.08631	35.5
71.30932	4.2
79.05492	20.5
81.07059	100.0
83.04961	4.7
83.08613	53.8
85.06566	7.4
85.10193	12.0
87.04464	4.2
90.09093	3.3
91.05493	18.4
93.07042	45.2
95.04961	3.7
95.08604	96.8
96.08973	5.2
97.06536	9.0
97.10172	34.1
105.07030	28.3
107.08593	41.1
108.08958	3.6
109.06528	5.6
109.10153	64.6
111.08086	9.6
111.11714	16.3
117.07014	3.8
119.08580	32.2
121.06514	3.5
121.10164	30.4
123.08124	4.0
123.11715	35.1
125.09655	6.6
125.13293	4.9
127.07579	4.8
128.65179	2.9
129.09038	7.5
133.10127	25.0
135.11673	19.2
137.09602	7.0
137.13252	15.5
139.14778	4.0
145.10089	5.2
147.11688	17.9
149.13255	19.0
150.66245	3.6
151.11241	7.8
151.14816	6.2
157.10104	4.9
161.13275	13.1
163.14842	15.9
169.27899	3.4
173.13210	3.6
175.14853	13.1
177.16403	4.6
179.14351	4.4
179.17854	3.3
189.16423	9.6
191.17891	3.2
193.15857	4.3
203.17932	4.0
220.61314	3.6
263.27341	11.4
271.79462	3.5
289.28848	6.2
309.08832	3.3
314.21063	3.3
315.30444	28.8
333.31546	23.4
351.12531	3.7
351.22867	16.8
351.26938	6.4
351.31628	4.6
352.23669	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	8.0
61.02942	6.7
65.49034	4.8
69.03433	31.5
69.07070	83.1
69.32147	33.1
73.02896	9.1
79.22299	5.3
81.03420	20.2
84.00627	6.1
85.02902	100.0
85.03370	8.2
86.09725	10.2
87.00836	38.2
92.57884	5.2
97.02890	55.9
98.03250	5.2
99.04463	10.5
105.01865	73.8
106.02206	5.2
109.02880	20.3
113.20225	5.7
127.03916	88.1
136.06203	36.6
136.07555	17.7
136.71233	5.0
141.56873	4.7
145.04970	64.7
159.02962	11.4
193.09807	6.4
203.05272	26.9
204.05634	18.4
220.11964	39.0
231.04997	20.9
240.03127	7.8
249.06094	14.3
251.02441	5.3
352.10724	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49105	1.4
52.49772	1.6
57.03435	42.4
61.02913	2.5
61.45769	1.5
66.49055	1.8
67.05499	9.4
70.24581	5.4
81.07061	5.1
83.08610	2.1
85.02908	10.2
97.02891	3.9
98.22632	1.6
109.10155	100.0
111.74965	1.9
127.03958	1.8
127.11193	60.8
127.12121	3.2
137.09579	3.7
145.04994	1.6
155.10661	89.5
156.10912	3.1
173.11737	40.5
215.05132	2.1
353.15790	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.05515	3.9
57.03421	2.3
57.07073	7.7
59.04996	2.3
65.57691	1.6
67.05511	5.0
69.03427	4.9
69.07060	5.2
71.05005	2.8
71.29965	2.4
74.13453	1.6
79.05501	2.1
81.03429	2.0
81.07068	10.5
83.04984	2.8
85.02898	5.3
85.06541	3.1
91.05473	2.4
93.07039	4.2
95.04977	4.9
95.08618	10.8
97.02878	2.0
97.06552	2.5
97.10181	5.3
99.04478	3.8
105.07014	10.2
106.07355	2.4
107.08587	4.7
109.06527	1.8
109.10164	5.8
111.11672	1.8
119.08572	5.3
121.06463	2.0
121.10161	2.5
127.03880	2.1
131.05113	1.8
131.08577	2.7
133.10139	6.9
134.10483	3.1
135.11714	3.6
135.13652	1.7
136.71600	2.0
136.83046	2.0
137.05986	2.3
137.09612	4.9
137.13264	14.6
147.04485	2.2
155.10641	2.1
155.14311	42.5
161.03346	1.7
161.09579	3.4
162.10013	2.6
163.11172	3.0
173.15419	6.4
191.14253	2.7
281.75174	1.7
322.11523	2.0
353.15732	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0843
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
67.50118	1.0
70.27491	1.1
70.27812	2.7
145.85493	0.9
334.50186	1.0
353.08444	100.0
354.08774	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1018
Annotation	Candidusin A
Peak:m/z	Relative Intensity
53.49013	0.4
55.01872	5.0
69.96449	1.1
84.26226	0.5
149.07150	0.5
153.06975	0.8
163.05467	0.6
165.06993	2.5
166.07715	0.8
176.06259	0.5
177.07004	1.3
178.07793	1.8
179.08565	1.2
181.06500	1.3
182.07158	0.4
189.07004	0.8
191.04826	0.9
192.05721	1.3
193.06502	3.1
194.07260	1.8
195.08060	0.8
197.05843	0.4
204.05673	0.9
205.06447	5.5
206.07236	3.0
207.04387	1.3
207.07977	2.9
208.08759	1.6
209.05963	3.0
209.09505	0.6
219.04428	2.2
219.07999	0.6
220.05153	2.3
221.05984	8.9
222.06688	4.6
223.03992	0.4
223.07503	3.0
224.08372	1.2
233.05959	5.4
234.06772	6.5
235.03877	0.9
235.07512	9.9
236.04671	0.5
236.08281	4.6
237.05508	6.5
237.09062	4.4
238.06163	0.7
239.06996	1.2
239.10667	0.8
245.06026	0.4
247.03891	1.0
248.04663	1.7
249.05466	14.3
250.06209	4.6
251.07007	5.4
252.07803	1.6
253.04936	0.6
261.05472	2.7
262.06210	4.2
263.07037	7.9
264.07813	9.6
265.05014	3.1
265.08588	9.7
266.05743	1.2
266.08951	0.8
267.06812	0.6
267.10193	2.3
275.07019	1.2
276.04089	0.6
277.04938	10.5
278.05649	3.8
279.03427	0.6
279.06497	10.9
280.07291	4.6
281.08035	1.5
290.05826	0.8
291.06506	17.8
292.07285	40.0
293.04605	0.9
293.07986	9.9
294.08536	0.8
295.06027	3.4
295.09689	5.5
296.06381	0.5
306.05295	0.6
306.08698	0.5
307.05981	12.0
308.06711	4.0
309.07504	0.8
320.06775	0.8
321.07578	10.7
322.08340	53.3
323.05551	1.3
323.09052	24.3
324.09650	2.0
334.58102	0.5
338.07861	2.6
339.08478	1.0
353.10187	100.0
354.10593	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1019
Annotation	Candidusin A
Peak:m/z	Relative Intensity
55.01871	4.0
55.05503	0.5
66.89466	0.5
67.05507	2.3
69.07059	0.5
69.25186	3.2
79.05515	0.9
79.64700	0.4
81.07043	2.1
93.07062	1.1
95.08601	1.9
98.23360	0.9
101.55730	0.4
107.08605	0.6
109.10159	1.0
123.11681	0.6
131.08611	0.8
135.11711	0.5
139.47189	0.5
139.48247	0.4
149.13272	0.7
152.06172	0.7
153.06943	1.0
163.14771	0.5
165.07014	2.2
166.07785	0.9
177.06976	0.8
178.07765	1.5
179.04973	0.5
179.08578	1.5
181.06535	1.0
186.71991	0.5
192.05692	0.9
193.06532	2.8
194.07230	2.1
195.04521	0.5
195.08025	0.7
204.05792	1.1
205.06485	4.5
206.07217	2.4
207.04482	1.2
207.08000	3.2
208.08801	0.9
209.05968	2.4
209.09602	0.6
211.07542	0.6
212.60173	0.4
219.04427	1.4
220.05171	1.5
221.05977	7.8
222.06741	4.0
223.07512	2.5
224.08249	1.5
225.09230	0.4
232.05165	0.5
233.05960	5.5
234.06783	5.9
235.07553	8.9
236.08278	4.4
237.05482	5.0
237.09029	3.7
238.06207	0.5
239.07127	0.7
239.10707	0.7
247.03859	1.0
247.07706	0.5
248.04742	1.3
249.05467	13.4
250.06195	5.3
251.06998	4.7
252.07851	1.9
253.04907	0.6
253.08762	0.5
261.05450	3.5
261.22180	1.6
262.06274	3.4
263.07016	7.5
264.04575	0.7
264.07779	9.5
265.04980	3.5
265.08603	9.7
266.05591	1.2
266.08908	0.8
267.06506	1.0
267.10147	2.3
275.07034	0.7
277.04962	11.0
278.05783	3.1
279.06512	12.8
280.07214	4.3
281.08008	1.5
290.05829	0.7
291.03232	0.5
291.06525	14.3
292.07288	40.4
293.04688	1.0
293.07962	11.6
294.08679	1.3
295.05981	4.6
295.09665	5.0
296.06641	0.4
305.04443	1.9
305.07788	0.5
306.05194	1.6
307.06006	12.4
308.06677	3.8
309.07568	0.7
311.09192	0.6
320.06741	2.9
321.07559	11.0
322.08340	51.4
323.05536	1.5
323.09055	24.1
324.09613	1.8
325.10895	0.7
337.07129	0.8
338.07776	3.4
339.08493	1.4
353.10187	100.0
354.10593	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1019
Annotation	Candidusin A
Peak:m/z	Relative Intensity
50.03344	0.5
55.01865	4.4
56.11470	0.5
67.05488	0.8
71.30798	1.0
72.24778	0.5
78.83904	0.5
79.05505	0.7
81.07041	0.9
95.08596	0.9
95.67987	0.6
100.32163	0.4
107.08570	0.5
152.06439	0.5
165.07021	1.8
166.07828	0.9
168.05627	0.7
175.63881	0.5
177.06958	0.9
178.07793	1.2
179.08488	1.3
181.06493	1.1
189.06996	0.6
192.05695	1.0
193.06525	3.0
193.88651	0.5
194.07260	1.8
195.08005	0.8
204.05765	0.8
205.06499	4.0
206.07277	1.9
207.08022	2.5
208.08871	1.1
209.06012	1.8
211.07553	0.6
217.06398	0.5
219.04463	1.4
219.08102	1.0
220.05168	1.8
221.05966	6.5
222.06659	3.6
223.03960	0.6
223.07492	1.9
224.08357	1.0
233.05928	5.2
234.06721	5.2
235.04045	0.7
235.07529	8.1
236.08286	3.3
237.05490	4.3
237.08994	3.5
238.06049	0.8
239.07001	1.1
239.10640	0.6
247.03848	0.9
247.07477	0.6
248.04732	1.7
249.05450	11.6
250.06183	4.8
251.06978	5.5
252.07841	1.3
253.04868	0.7
253.08548	0.7
258.43140	0.5
261.05457	3.5
262.06259	3.4
263.07037	5.3
264.03970	0.4
264.04755	0.6
264.07764	8.2
265.04968	3.6
265.08594	8.3
266.05692	1.4
266.08948	0.7
267.06924	0.5
267.10251	1.9
276.04181	0.5
277.04984	9.0
278.05710	2.8
279.06525	7.9
280.04388	0.6
280.07208	4.1
281.08020	1.9
290.05807	0.7
291.06509	13.7
292.07278	41.1
293.04468	1.4
293.07916	9.3
294.08423	0.8
295.05994	3.4
295.09653	5.6
305.04395	2.3
305.07632	0.7
306.05161	1.7
307.05991	11.6
307.09171	0.5
308.06693	4.0
309.07599	1.4
311.09058	0.8
320.06729	2.5
321.07602	10.8
321.11331	0.8
322.08340	47.5
323.05515	1.7
323.09039	23.7
324.09564	2.0
338.07806	3.6
338.11292	0.7
339.08536	0.8
353.10175	100.0
354.10553	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1019
Annotation	Candidusin A
Peak:m/z	Relative Intensity
55.01876	5.0
65.97117	0.5
69.03411	0.4
70.55869	0.9
70.56215	0.6
79.05479	0.6
81.07054	0.8
93.07025	0.8
95.08646	0.5
98.97599	0.5
105.07001	0.8
107.08582	0.6
109.06459	0.5
109.10139	0.9
117.97623	0.4
119.08593	0.7
124.06300	0.4
131.75806	0.4
133.10135	0.6
135.11678	0.5
145.10202	0.5
152.06207	0.7
163.43985	0.5
165.06981	2.1
166.07738	1.3
177.07048	0.9
178.07793	1.3
179.08566	2.1
181.06454	1.2
190.07800	0.5
191.04839	0.6
192.05679	1.4
193.06505	3.1
194.07224	2.1
195.08008	1.0
197.05988	0.8
198.64920	0.4
204.05750	0.7
205.06470	5.0
206.07245	2.6
207.04446	0.9
207.07927	2.9
208.08740	1.5
209.05965	2.0
209.09665	1.4
211.07587	0.6
219.04457	1.2
219.08073	0.8
220.05199	2.0
221.05981	9.8
222.06723	4.2
223.07585	2.4
224.08247	0.9
232.05048	0.4
233.05980	6.1
234.06734	5.8
235.03932	0.9
235.07516	10.8
236.08295	4.5
237.05469	4.7
237.09001	4.5
238.06194	0.8
239.06987	1.3
239.10722	0.7
241.08479	0.6
247.03943	1.2
248.04727	1.2
249.05489	13.9
250.06184	5.7
251.07021	6.5
252.07750	2.0
253.05029	0.7
261.05499	4.3
262.06198	4.1
263.07031	7.7
264.04791	0.9
264.07800	10.8
265.04971	3.6
265.08597	10.1
266.05746	1.6
266.08795	0.9
267.06500	0.5
267.10129	1.6
268.07123	0.6
275.07013	0.6
276.03882	0.5
277.04987	9.4
278.05661	3.8
279.06525	10.3
280.07214	5.3
281.07993	2.3
290.05679	0.9
291.03220	0.7
291.06512	16.9
292.07272	43.8
293.04376	1.3
293.07925	11.1
294.08459	1.8
295.06018	4.1
295.09659	5.1
296.06610	0.7
305.04385	1.3
306.05261	1.0
306.08606	0.6
307.06027	13.9
307.09274	0.6
308.06625	4.3
309.07544	1.5
311.09100	1.2
320.06760	1.4
321.04132	0.3
321.07541	12.3
322.08337	53.5
323.05530	1.7
323.09042	24.8
324.09531	1.6
338.07709	2.9
339.08630	0.8
353.10181	100.0
354.10562	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01612	0.1
51.02370	0.2
51.65261	0.1
53.00310	0.5
53.03946	0.2
55.01869	0.9
56.42623	0.1
60.02230	0.1
63.87980	0.1
65.03938	0.8
65.78903	0.1
66.97301	0.1
67.05514	1.0
68.99789	0.9
71.51087	0.1
77.03962	0.2
79.05502	0.8
81.07024	0.2
89.03896	0.1
91.05479	0.4
93.03396	1.5
95.04958	0.5
95.08591	0.2
103.05466	7.9
104.05781	0.3
105.03387	0.2
105.04513	0.1
105.06367	0.2
105.07032	2.8
107.04948	0.5
109.02863	0.1
111.04420	0.3
115.05437	1.7
117.03426	0.1
117.07008	1.2
119.04926	0.5
121.02866	1.8
121.10175	0.1
123.04433	1.5
128.06210	1.1
129.07001	5.5
130.07336	0.2
131.04922	13.2
132.05629	0.4
133.02844	1.6
133.06483	5.4
133.53748	0.1
135.04413	7.8
136.04741	0.3
137.05969	0.2
143.04910	0.2
145.06474	1.3
145.10095	0.2
147.04404	1.1
149.05969	0.5
151.03899	100.0
152.04239	3.2
155.06058	0.3
157.06487	5.3
158.07112	0.4
159.04413	2.2
160.05116	0.2
161.05977	6.0
162.06364	0.2
163.03923	2.3
163.07468	0.7
164.04503	0.1
165.01817	0.1
165.05476	0.9
165.06894	0.2
172.05211	0.3
173.05980	12.5
174.06355	0.5
175.03896	1.8
175.07542	0.4
177.05476	0.7
179.03397	1.2
185.05957	1.6
187.07535	3.1
188.04659	0.1
189.05460	0.5
189.06946	0.1
191.03381	3.5
191.08499	0.8
192.04097	0.4
193.04900	0.4
197.05992	0.2
203.03358	0.8
203.07011	1.7
203.08636	0.2
205.04883	0.2
205.06584	0.3
207.08080	0.2
215.07019	7.3
216.07385	0.3
217.04956	0.2
218.07353	0.3
219.08034	2.6
220.08430	0.2
222.06822	0.2
231.06555	0.4
234.06642	0.2
235.07510	0.6
237.09065	0.5
247.07520	2.6
248.07965	0.2
249.09129	0.4
259.07541	0.9
262.06201	0.3
263.07010	0.4
265.08618	0.3
275.07022	1.1
276.07635	0.2
277.08569	3.2
277.11429	0.2
278.08801	0.2
287.06964	0.2
289.08539	0.2
295.09732	0.2
305.08054	6.7
306.08395	0.6
307.06079	0.2
307.09686	0.3
320.06668	0.1
323.09094	0.9
325.10712	0.7
335.09106	5.7
336.09564	0.4
353.10168	6.9
353.13705	0.4
354.10556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1019
Annotation	Candidusin A
Peak:m/z	Relative Intensity
54.08259	0.4
55.01868	5.6
66.11814	0.4
66.64318	0.5
67.05484	1.1
69.07090	0.7
70.56320	0.6
70.56627	0.8
79.05475	0.6
79.60983	0.5
80.65024	0.5
81.07043	1.7
90.19926	0.5
91.05480	1.3
93.07037	1.3
95.08610	1.0
99.08105	0.5
105.07019	1.3
107.08556	1.2
119.08588	1.8
121.10111	0.7
131.08551	1.0
133.10155	0.9
143.08539	1.2
145.10098	1.4
152.06206	0.5
153.07004	0.7
155.08574	0.6
157.10147	0.6
159.11763	0.7
165.07002	2.1
167.08658	0.7
168.05841	0.5
169.10144	1.0
173.09628	0.7
176.06282	0.9
177.07019	1.1
178.07787	1.3
179.08553	2.2
181.06432	1.4
181.10168	0.6
182.07289	0.6
185.13257	0.7
191.05028	0.6
191.08533	0.6
192.05734	1.3
193.06444	2.8
193.10095	0.6
194.07283	1.9
195.08095	1.6
195.11676	0.6
197.13121	0.9
204.05721	0.8
205.06435	4.6
206.07280	1.7
207.04478	1.0
207.08025	2.8
208.08711	1.3
209.05962	2.4
209.09456	0.6
211.07591	0.7
219.04436	1.1
219.08015	0.6
220.05183	1.6
221.05962	10.3
222.06715	3.5
223.07545	3.1
224.08313	1.0
233.05978	6.3
234.06720	6.1
235.03864	1.0
235.07516	9.7
236.08304	4.9
237.05420	5.7
237.09000	3.8
238.06140	0.9
239.07089	1.2
247.03986	1.4
247.07620	0.6
248.04645	1.7
249.05447	13.5
249.09273	0.7
250.06192	4.6
251.06996	6.2
252.04034	0.5
252.07707	1.8
253.04941	1.1
253.08401	0.6
261.05463	3.1
262.06262	3.8
263.07019	7.2
264.07816	10.0
265.04987	3.3
265.08582	10.6
266.05798	1.9
266.08920	0.9
267.06522	0.5
267.10031	1.1
269.07935	0.5
275.06918	0.7
276.04193	0.6
277.04977	9.4
278.05725	2.8
279.06528	10.8
279.09708	0.7
280.07239	5.0
281.07910	0.9
290.05762	0.6
291.06516	15.6
292.07285	44.1
293.04465	1.1
293.07907	12.2
294.08746	1.1
295.06024	3.3
295.09631	6.0
295.14658	0.7
305.04532	1.2
305.07925	0.7
306.05313	1.2
306.08777	0.8
307.06027	12.9
307.09299	0.4
308.06412	3.2
309.07437	0.6
311.09106	0.8
320.06729	1.6
321.07596	11.7
322.08350	53.4
323.05557	1.8
323.09055	25.8
324.09467	2.3
325.11038	0.6
338.07809	3.1
339.08493	1.3
353.10193	100.0
353.18625	2.7
353.24408	3.0
354.10580	10.9
354.19232	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1379
Annotation	Daldinone D
Peak:m/z	Relative Intensity
52.13176	0.2
67.01829	0.1
67.95283	0.2
69.03398	0.3
69.07039	0.4
79.05465	0.3
81.07040	0.3
82.88674	0.2
85.02909	0.2
91.05450	0.7
93.07011	0.2
94.53846	0.2
95.04906	0.2
95.08562	0.2
98.23434	0.3
105.06996	0.5
115.05437	0.3
117.07001	0.2
119.04922	0.3
119.08578	0.3
128.06160	0.3
129.06978	0.2
131.08507	0.2
133.06439	0.2
141.06905	0.4
143.08504	0.2
145.06459	0.2
151.05307	0.2
152.06146	0.4
153.06944	0.7
155.08459	0.2
157.06476	0.2
159.08018	0.6
165.05450	1.0
165.06973	1.6
166.06264	0.2
166.07745	0.4
167.08527	0.5
168.05695	0.4
169.06424	0.5
169.10033	0.2
171.08087	0.4
173.09584	0.4
175.03860	0.7
176.24629	0.2
177.07022	0.3
178.07719	1.1
179.08531	1.7
180.09312	0.3
181.06496	1.4
181.10115	0.3
182.07213	0.5
183.04327	0.3
183.08089	0.8
185.05904	0.2
189.05402	1.0
189.06998	0.8
190.06171	0.2
190.07719	0.8
191.08534	2.1
192.05679	0.2
192.09323	2.6
193.06447	0.9
193.10120	1.3
194.07265	0.8
194.10843	0.3
195.08064	1.4
195.11655	0.4
196.05115	0.5
196.08792	0.5
197.05965	0.9
197.09610	0.4
198.06689	0.7
199.07545	0.2
201.09032	0.4
202.06174	0.2
202.07776	2.2
203.08560	2.2
204.09308	0.9
205.06456	2.8
205.10065	1.6
206.07268	1.1
206.10873	0.3
207.04407	0.5
207.08066	2.8
207.11662	1.5
208.08771	0.8
209.06036	1.2
209.09604	2.3
210.06691	1.1
210.10030	0.4
211.03818	0.3
211.07501	2.0
212.04674	0.5
212.08138	0.4
213.05333	0.3
215.08675	0.3
217.04713	0.2
217.06621	0.4
217.10118	1.5
218.07301	1.2
218.10744	0.3
219.06131	0.3
219.08063	4.6
219.11478	0.4
220.08817	8.7
221.06203	1.1
221.09581	4.4
222.06836	1.1
222.10327	1.6
223.07504	1.7
223.11040	0.8
224.04671	0.8
224.08231	0.7
224.11868	0.4
225.05487	1.8
225.09012	1.3
226.06213	1.4
226.09685	0.3
227.06908	0.5
229.84099	0.3
230.07149	0.3
231.08043	1.9
232.08878	1.5
233.06007	2.1
233.09567	3.0
234.06752	1.8
234.10344	1.5
235.03812	0.4
235.07489	4.6
235.11134	9.8
236.04893	0.3
236.08263	2.0
236.11658	1.4
237.05527	1.6
237.09079	5.4
237.12611	0.9
238.06223	1.0
238.09593	0.6
239.07013	3.4
239.10637	0.6
240.07742	1.1
241.04901	0.7
241.08560	0.5
245.09584	2.0
246.06851	0.2
246.10376	0.3
247.07533	3.7
247.11191	0.5
248.08310	9.8
249.05441	2.5
249.09059	10.2
249.12804	0.3
250.06192	2.1
250.09761	4.6
251.07016	2.7
251.10600	2.5
252.04111	0.2
252.07747	1.2
252.11444	2.1
253.04947	0.4
253.08551	2.6
253.11497	0.3
254.05699	2.6
254.09186	0.4
255.06519	1.6
256.07303	1.5
257.08035	0.2
259.07507	0.7
260.08231	0.7
261.05795	0.8
261.09064	2.0
262.06378	0.8
262.09900	2.2
263.07016	8.9
263.10626	15.2
264.07736	5.7
264.11203	2.9
265.04984	1.3
265.08548	9.5
265.12112	2.6
266.05710	1.1
266.09137	1.4
266.12323	0.4
267.06500	1.1
267.10126	3.0
267.13754	2.0
268.07120	0.5
268.10513	0.4
269.05054	0.2
269.08066	4.7
269.11215	0.4
270.05298	0.3
270.08533	0.7
271.09399	0.2
273.09076	0.3
275.06970	1.5
275.10257	0.3
276.07782	3.3
276.11087	0.3
277.05408	0.3
277.08582	7.0
277.12057	0.8
278.05734	1.2
278.09299	7.9
279.06546	1.5
279.10068	6.9
279.13245	0.3
280.07315	0.9
280.10849	5.7
281.08011	1.6
281.11548	1.2
282.05154	0.5
282.08804	0.5
282.12280	0.4
283.06195	0.2
283.09576	1.1
284.06720	0.4
285.07483	0.5
289.08521	1.2
290.09253	1.4
291.06485	6.1
291.10114	9.1
292.07184	2.7
292.10764	1.9
293.08051	5.2
293.11673	17.2
294.05344	0.3
294.08664	0.7
294.12369	6.4
295.06113	0.4
295.09641	3.7
295.13217	12.0
296.06976	0.3
296.10278	0.8
296.13635	0.9
297.07529	3.0
298.08139	0.7
303.10065	0.6
305.08118	3.4
305.11606	0.5
306.08841	8.1
307.09607	13.6
307.13040	0.7
308.06772	0.8
308.10248	5.2
309.07443	1.0
309.10986	1.0
310.08484	0.3
310.11908	2.3
311.09015	0.8
311.12314	0.3
320.10388	0.8
321.11194	70.5
322.11777	14.2
323.09055	9.0
323.12717	12.2
324.09564	1.1
324.13162	1.4
325.14319	11.3
326.14600	1.3
335.12689	0.9
336.13425	1.1
337.10571	0.3
338.11420	6.9
339.11884	0.6
353.13803	100.0
354.14203	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1385
Annotation	Gancaonin G
Peak:m/z	Relative Intensity
55.01847	0.5
55.05493	0.8
57.07055	0.7
57.72927	0.3
59.05000	4.7
67.05483	0.8
69.07046	0.4
69.58350	1.2
69.58754	0.8
73.06554	7.3
75.04480	8.7
79.05463	0.9
81.07029	1.1
89.06014	0.6
91.05481	2.2
93.07012	1.6
95.04925	0.5
95.08571	1.0
99.08067	0.5
100.07595	0.4
105.06973	0.8
107.08555	0.6
108.05706	1.0
109.06519	0.7
109.10121	0.5
110.03571	0.4
111.15949	0.3
115.05448	0.8
117.06985	0.5
119.08543	0.6
121.10137	0.7
123.08082	5.0
125.05971	0.9
129.07016	0.7
131.08557	0.6
132.66780	0.3
133.06491	0.7
133.10094	0.6
135.04425	0.7
139.07477	0.5
141.06955	0.4
145.06436	1.1
145.10120	0.6
148.28220	0.3
149.09665	0.5
151.03833	0.5
151.07535	0.8
153.06952	0.7
156.13905	0.4
157.10091	0.4
159.08023	1.4
159.11734	0.6
162.05472	1.0
165.06995	1.8
166.07715	0.6
167.08417	0.6
169.09988	0.5
171.11697	0.4
173.06023	0.3
173.13232	0.5
175.03897	1.0
175.07506	0.5
176.06209	0.4
177.06931	0.5
178.07780	2.3
179.07013	0.4
179.08504	2.1
180.09224	0.5
181.06459	0.6
181.10098	1.2
183.08154	0.4
184.05247	0.4
184.28685	0.4
187.03922	0.5
189.05443	0.7
189.07007	1.1
190.07716	2.0
191.08572	2.1
192.09351	2.7
193.06517	0.7
193.10161	3.0
194.07224	1.5
194.10648	0.4
195.07982	1.4
195.11583	0.4
196.08824	0.7
197.09570	0.6
197.13200	0.4
199.03896	0.7
199.14922	0.4
201.05386	0.5
202.07802	1.8
203.07103	0.4
203.08618	2.5
204.09311	0.8
205.06485	2.5
205.10127	1.3
206.07205	1.0
206.10669	0.4
207.08026	3.5
207.11607	0.4
208.05249	0.4
208.08664	0.8
209.05984	0.9
209.09625	3.1
210.06714	0.5
210.10077	0.4
211.07384	0.5
211.11095	0.6
213.05403	1.3
215.03476	0.5
215.06926	0.6
217.06511	0.7
217.10147	0.5
218.07292	2.1
219.08012	3.0
220.08847	4.2
221.05994	1.1
221.09598	8.1
222.06816	1.7
222.10262	0.9
223.07541	1.7
223.11156	1.2
224.08189	0.7
225.05402	1.2
225.09103	1.1
227.06973	2.2
227.10658	0.4
229.04881	1.2
230.05647	1.1
231.08029	2.3
232.08762	1.3
233.06004	2.1
233.09584	4.7
234.06760	1.8
234.10182	0.9
235.07571	4.6
235.11143	3.2
236.08279	1.3
236.11815	0.4
237.05533	1.6
237.09123	4.8
237.12617	0.6
238.06279	0.8
238.09789	0.4
239.03281	1.0
239.06964	1.4
239.10640	2.2
243.06418	0.6
244.07295	1.1
245.06248	0.4
245.09543	0.8
246.06616	0.6
247.07533	2.5
248.08350	7.2
249.05424	3.5
249.09087	8.9
250.06252	2.6
250.09856	2.5
251.03352	1.2
251.06961	3.6
251.10535	1.5
252.04140	1.3
252.07832	2.0
252.11467	0.7
253.04785	0.6
253.08638	3.3
254.08958	0.4
255.06619	0.4
255.14340	0.4
259.07507	1.3
260.06601	0.7
261.05426	1.8
261.09155	3.1
262.06180	1.7
262.09882	1.5
263.07025	24.1
263.10605	7.3
264.07703	8.3
264.11240	1.5
265.05063	1.8
265.08585	13.6
265.11966	1.0
266.05725	4.0
266.09088	2.1
267.03372	0.5
267.06580	2.9
267.10138	3.4
267.13562	0.8
268.07257	1.0
269.08044	0.6
274.06174	0.8
275.07104	3.7
276.07797	7.7
277.05292	0.6
277.08591	12.3
277.11789	0.7
278.05798	1.1
278.09326	13.1
279.06519	4.9
279.10129	14.6
279.13297	0.8
280.04214	0.7
280.07266	5.6
280.10699	2.7
281.04636	0.9
281.08060	8.4
282.05191	1.1
282.08289	0.7
283.05978	0.7
283.09613	0.9
284.06702	0.6
289.08588	7.1
290.05954	0.6
290.09326	8.8
291.06503	11.8
291.10129	11.0
292.07211	5.1
292.10794	3.2
293.08044	9.4
293.11624	3.2
294.05371	0.9
294.08728	4.3
294.12311	1.0
295.06052	1.7
295.09634	11.6
295.13245	4.0
296.06723	1.0
296.10098	1.4
297.07520	1.5
304.11020	0.8
305.08139	4.8
305.11481	0.4
306.08862	28.1
307.09610	28.4
308.06851	1.1
308.10306	10.1
309.07535	5.0
309.11084	2.1
310.08221	2.4
310.11954	1.4
311.09167	2.9
320.10406	0.5
321.11206	53.8
322.11859	13.8
323.09085	10.0
323.12784	7.6
324.09702	4.4
325.10669	2.8
325.14182	0.5
335.12802	0.6
337.10718	0.8
338.11472	10.6
339.11993	1.4
353.13831	100.0
353.28448	1.4
354.14099	11.3
354.18073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1383
Annotation	Gancaonin G
Peak:m/z	Relative Intensity
55.05483	0.5
59.05002	5.5
65.27401	0.3
67.05473	0.8
67.53320	0.3
69.25123	1.2
69.25543	1.7
73.06561	7.1
74.11765	0.4
75.04485	10.2
76.21789	0.4
81.07023	0.4
85.06483	0.6
85.44204	0.3
89.05993	0.7
91.05441	1.5
93.07020	0.6
96.70185	0.3
98.23011	1.5
101.05991	0.4
103.07529	0.4
108.11237	0.3
115.05423	0.8
123.04391	0.4
123.07304	0.4
123.08064	5.1
125.05998	0.7
130.01851	0.4
133.06436	0.3
135.08051	0.4
138.06743	0.4
141.06969	0.4
145.06461	1.1
150.06720	0.5
151.05357	0.4
151.07445	0.8
153.06970	0.7
157.06523	0.4
159.08040	0.9
161.05896	0.4
165.06996	1.7
166.07742	1.4
167.08559	0.6
175.03844	0.9
175.07449	1.1
175.82498	0.4
177.06979	0.7
178.07796	2.2
179.07062	0.7
179.08514	2.3
181.06445	0.9
181.10068	1.1
187.03847	0.4
189.06944	1.3
190.07719	1.7
191.08533	2.6
192.09297	3.2
193.06509	0.7
193.10115	2.2
194.07245	1.4
195.07999	1.1
196.08862	0.8
197.06015	0.6
197.09558	0.7
199.03897	1.4
200.04489	0.4
202.07788	2.0
203.08615	1.9
204.09264	1.2
205.06419	2.9
205.10106	1.4
206.07184	1.2
207.08063	2.6
207.11734	1.1
208.08716	1.2
209.05911	0.9
209.09648	3.9
210.06773	0.7
211.07588	0.6
213.05446	1.6
215.03458	0.7
217.06493	0.6
218.07249	1.5
219.08066	3.3
220.08841	3.9
221.06061	0.8
221.09590	5.9
222.06790	1.3
222.10257	1.3
223.07605	1.8
223.11174	1.5
224.08284	1.0
225.05455	1.0
225.09091	0.5
226.06128	0.4
226.52420	0.4
227.06967	2.3
229.04881	1.4
230.05748	1.1
231.07976	2.4
232.08781	1.4
233.05983	2.0
233.09566	4.2
234.06668	1.7
234.10231	0.9
235.07568	4.8
235.11171	3.3
236.08209	1.3
236.11835	0.8
237.05437	1.6
237.09088	4.4
237.12801	0.7
238.06209	0.9
239.03329	0.6
239.07001	1.1
239.10600	2.5
243.06491	1.4
244.07179	0.8
245.09554	0.6
246.06877	0.5
247.07494	2.9
248.08337	6.5
249.05486	3.0
249.09084	8.4
250.06245	3.6
250.09637	2.3
251.03300	1.1
251.07050	3.9
251.10651	1.4
252.04364	1.8
252.07762	2.1
252.11371	0.9
253.04893	1.1
253.08585	4.1
253.12321	0.7
254.05479	0.4
259.05591	0.5
259.07825	0.8
260.06760	0.5
261.05521	1.3
261.09106	4.1
262.06183	0.9
262.09760	1.4
263.07028	23.7
263.10611	7.9
264.07706	8.3
264.11249	1.5
265.05038	1.5
265.08582	13.9
265.11792	0.9
266.05731	4.0
266.09036	1.8
267.03568	0.3
267.06583	2.6
267.10159	2.7
267.13565	0.8
268.07214	1.5
269.08194	0.4
274.06091	0.5
275.06995	3.8
276.07794	5.9
277.05154	1.2
277.08566	13.7
277.11801	0.7
278.05750	1.4
278.09308	14.1
279.06528	4.8
279.10132	14.3
280.04251	0.7
280.07260	5.1
280.10782	3.1
281.08105	8.3
281.11273	0.6
282.05255	0.8
282.08508	1.3
283.06122	0.5
283.09515	0.8
283.90387	0.4
285.07504	0.5
289.08557	7.2
290.09360	7.0
291.06497	12.9
291.10135	11.0
292.07242	6.3
292.10846	3.4
293.08044	12.0
293.11652	3.1
294.05264	1.4
294.08783	4.1
294.12009	0.8
295.06042	2.7
295.09659	13.1
295.13257	3.6
296.06726	1.0
296.10132	1.4
297.07614	1.3
303.09741	0.4
305.08115	4.8
305.11392	0.7
306.08865	31.8
307.09607	27.4
308.06711	1.1
308.10324	9.2
309.07544	4.0
309.11099	2.4
310.08316	2.1
310.11868	1.0
311.09058	2.6
320.10532	0.7
321.11212	54.1
322.07999	0.8
322.11832	14.0
323.09100	9.1
323.12756	7.3
324.09872	3.9
324.13242	0.6
325.10623	2.1
325.14020	0.7
337.10803	0.8
338.11441	10.1
339.12082	1.0
353.13834	100.0
354.14233	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1383
Annotation	Gancaonin G
Peak:m/z	Relative Intensity
55.01849	0.4
55.05474	0.3
59.05003	5.7
67.05460	0.7
67.08261	0.3
67.76324	0.2
69.35809	1.8
73.06556	7.1
75.04480	9.5
77.36233	0.2
79.05468	0.4
81.07032	0.5
85.06492	0.3
89.05993	0.9
91.05486	1.5
93.07001	0.7
95.04935	0.3
95.08579	0.3
98.22813	0.6
98.23404	0.4
101.05980	0.5
105.07023	0.3
105.53507	0.3
107.08562	0.2
108.05698	0.8
109.06467	0.4
110.03588	0.3
112.24012	0.2
115.05415	0.6
117.06989	0.5
119.08578	0.3
121.10149	0.2
123.08071	5.0
124.08216	0.2
125.05961	0.7
127.42622	0.3
129.06967	0.4
133.06442	0.3
136.05127	0.4
139.07582	0.5
141.06960	0.8
143.04932	0.5
145.06433	1.1
149.36490	0.2
151.03853	0.5
151.07507	0.8
152.06207	0.5
153.06947	1.0
159.08066	0.6
161.05891	0.3
165.05722	0.4
165.06987	1.7
166.07709	1.0
167.08505	0.6
168.09274	0.3
175.03903	1.0
175.07506	0.8
176.06166	0.3
177.06950	0.4
178.07800	2.1
179.07120	0.4
179.08534	2.6
180.09180	0.6
181.06468	0.9
181.10107	1.2
182.07213	0.3
183.07915	0.3
185.02354	0.3
185.05986	0.7
189.05441	0.3
189.06984	1.3
190.07770	1.7
191.08519	2.3
191.10139	0.4
192.09338	2.5
193.06487	0.6
193.10109	1.9
194.07256	1.6
195.07986	0.8
195.11765	0.3
196.08746	0.8
197.05991	0.5
197.09561	0.7
199.03893	0.7
201.05438	0.3
202.02597	0.3
202.07761	1.7
203.08524	2.3
204.09396	0.6
205.06493	2.7
205.10158	1.7
206.07217	1.1
206.10759	0.4
207.08009	3.0
207.11632	1.1
208.05176	0.4
208.08797	0.9
209.05963	0.8
209.09628	3.3
210.06651	0.4
210.10027	0.5
211.07401	0.4
211.11156	0.9
213.05450	0.9
215.03363	0.8
215.06882	0.3
217.06580	0.4
217.10217	0.3
218.07251	1.5
219.08058	3.3
220.08838	4.1
221.06224	1.2
221.09593	7.2
222.06827	1.7
222.10237	1.5
223.07600	1.6
223.11121	0.7
224.04642	0.4
224.08202	0.8
225.05391	0.8
225.08997	0.6
227.06973	2.1
229.04865	1.2
230.05600	0.9
231.08032	2.8
232.08736	1.5
233.04411	0.2
233.06046	2.3
233.09534	3.9
234.06671	1.9
234.10228	0.8
235.07556	5.2
235.11111	2.9
236.04602	0.6
236.08330	1.3
236.11771	0.6
237.05476	1.6
237.09119	4.8
237.12721	0.5
238.06139	0.9
238.09573	0.6
239.03381	0.7
239.06967	1.0
239.10637	2.1
241.04938	0.4
243.06450	0.9
244.07333	1.1
245.04178	0.4
245.06325	0.4
245.09555	0.6
246.06691	0.4
247.07549	2.8
247.11293	0.4
248.05940	0.5
248.08351	7.1
249.05432	2.8
249.09053	8.3
250.06267	3.5
250.09697	2.3
251.03380	0.7
251.06969	3.1
251.10692	1.3
252.04236	1.6
252.07814	2.4
252.11409	0.7
253.04842	0.6
253.08546	3.5
253.12225	0.8
254.08910	0.4
255.06691	0.4
259.07950	1.6
260.08469	0.6
261.05640	1.7
261.09100	4.3
262.06302	1.5
262.09732	1.5
263.07007	23.9
263.10608	8.0
264.07678	7.8
264.11200	1.6
265.04993	1.8
265.08575	13.0
265.11862	0.8
266.05676	3.9
266.09058	1.6
266.12531	0.4
267.03152	0.6
267.06482	3.5
267.10104	3.1
267.13766	0.7
268.07254	1.7
269.07681	0.3
270.05408	0.4
274.06223	0.7
275.06998	3.4
276.07788	6.7
276.10861	0.3
277.05109	0.9
277.08585	12.6
277.11807	0.5
278.05737	1.7
278.09320	12.3
279.06506	4.4
279.10092	13.9
280.07254	5.7
280.10672	2.8
281.04645	0.8
281.08054	8.9
281.11465	0.7
282.05164	0.8
282.08563	1.1
283.05902	0.4
283.09329	0.7
284.06833	0.6
285.07629	0.8
288.07541	0.3
289.08569	7.1
290.05881	0.6
290.09326	7.9
291.06464	11.8
291.10101	10.7
292.07208	5.9
292.10779	2.9
293.04816	0.5
293.08017	9.6
293.11627	3.2
294.05228	0.8
294.08734	4.1
294.12280	0.7
295.06033	2.2
295.09625	12.3
295.13211	3.6
296.06641	1.2
296.10077	1.7
296.13452	0.5
297.07706	1.3
297.10678	0.4
299.09064	0.4
304.10977	0.6
305.04840	0.4
305.08096	5.1
305.11392	0.4
306.08847	29.0
307.09604	27.8
308.06808	1.1
308.10266	9.4
309.07510	4.2
309.11057	2.2
310.08249	2.3
310.11945	0.9
311.09052	2.7
319.09674	0.3
320.10464	0.5
321.11194	53.6
322.11823	14.8
323.09055	9.7
323.12720	7.5
324.09833	4.1
324.13321	0.6
325.10690	2.3
325.14145	0.5
335.12665	0.6
337.10577	0.7
338.11453	10.9
339.11874	1.0
353.13818	100.0
354.14221	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
53.03939	0.5
60.28233	0.2
61.87390	0.2
65.03938	3.5
69.05386	0.7
69.05805	1.4
77.03909	0.6
79.05484	1.8
91.05479	69.1
92.05810	1.9
95.04963	0.5
105.04464	0.2
107.00508	1.5
108.01272	5.4
122.09679	0.3
152.06233	0.4
154.07794	0.2
155.08492	0.3
169.06552	0.2
171.52734	0.2
183.03587	12.0
184.04347	2.4
185.05144	6.4
186.05414	0.2
201.04681	0.8
202.05400	0.5
219.05714	0.8
261.08282	9.9
262.08975	4.7
263.09396	0.5
266.08511	0.3
293.07330	2.3
294.08011	15.1
295.08432	0.9
327.59140	0.2
353.14511	100.0
354.14859	9.8
375.81741	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25746	0.2
70.24188	0.1
70.70123	0.4
73.37452	0.2
74.35535	0.2
91.05495	0.2
95.05051	0.2
102.49345	0.2
103.59062	0.2
104.76108	0.2
105.07031	0.2
108.45725	0.2
111.82959	0.1
122.05753	0.2
137.05974	0.3
173.91316	0.2
185.04221	0.6
191.10483	0.5
203.05313	0.7
261.86111	0.2
280.41611	0.2
353.15707	100.0
354.16058	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12873	0.4
63.98663	0.4
67.35513	0.4
70.39461	1.2
84.51138	0.5
100.95080	0.5
114.59142	0.4
133.37065	0.5
136.74876	0.5
203.65292	0.5
248.04547	0.5
335.21399	1.0
353.22961	100.0
354.23352	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64402	0.9
56.96563	1.2
63.07946	1.0
65.03935	3.3
67.05486	1.1
70.06402	3.2
79.05488	2.8
91.05481	50.7
91.73878	1.1
92.05816	1.3
98.97577	4.0
105.07060	1.1
106.52983	0.9
107.00491	1.4
107.04967	1.3
108.01260	3.5
116.98611	4.3
134.99686	1.4
135.04475	1.4
144.31851	1.0
147.11668	1.2
149.02313	2.7
160.48082	1.1
175.02762	2.2
183.03583	8.4
184.04254	2.5
185.05110	4.7
221.06073	1.5
235.07521	1.7
261.08292	6.0
262.08932	3.1
265.08267	1.7
277.05084	1.4
279.06467	1.6
280.07413	1.3
291.06436	1.3
292.07266	4.6
293.07635	3.3
294.08041	12.9
321.07388	2.1
322.08179	4.8
323.09061	4.4
339.12207	1.7
353.10190	11.7
353.14331	79.5
353.22946	100.0
354.10831	1.6
354.14758	11.2
354.23285	5.8
371.17163	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	9.4
55.01862	14.1
55.05511	23.5
55.32632	4.6
57.03438	13.8
61.02918	11.6
65.03920	6.9
67.05503	45.3
67.87603	4.3
69.03418	20.4
69.07066	32.5
71.01350	5.4
71.31014	7.5
71.54765	4.2
73.02919	24.7
76.55280	4.2
79.05493	22.3
81.03415	12.5
81.07059	84.8
83.04979	12.5
83.08613	20.6
85.02901	15.2
85.06535	8.1
87.04448	6.6
91.05481	36.5
93.07038	57.0
95.04416	4.7
95.04984	14.7
95.08610	85.4
97.02873	15.1
97.06514	12.2
98.97585	9.4
100.11253	8.8
100.33401	4.4
103.03950	6.7
103.04647	4.3
105.07032	79.4
107.08600	77.0
109.06506	12.6
109.10165	57.1
111.04454	7.6
111.08124	5.8
115.03944	11.1
117.06975	7.5
119.08568	49.6
121.06474	6.0
121.10151	34.6
123.08066	9.7
123.11699	21.0
125.09638	4.4
131.08554	28.6
133.04947	14.0
133.10130	35.8
135.08041	11.5
135.11687	20.6
137.09607	9.7
142.07739	6.1
143.08542	15.8
145.10103	37.3
147.11667	55.3
149.09590	8.9
149.13269	16.4
151.11118	15.3
155.08577	11.1
156.09413	5.1
157.10141	17.9
159.11684	31.3
161.09604	4.8
161.13287	27.0
163.11159	6.8
163.14828	13.3
165.12753	9.9
169.10107	10.4
171.11682	13.9
173.09648	5.6
173.13216	17.7
175.14816	16.2
177.12706	5.9
181.10193	4.7
183.11722	14.5
185.13235	6.5
187.14835	10.7
189.12666	6.7
189.16330	7.7
197.13364	8.3
199.14874	11.9
201.16418	40.9
203.17926	100.0
206.11133	5.5
211.14853	7.0
213.16275	11.3
215.17941	16.2
221.18976	8.8
227.18033	5.5
229.19615	5.8
231.17451	10.8
233.19069	5.1
243.17230	6.0
245.19073	5.4
253.19521	6.9
261.18536	5.9
269.18909	6.2
275.20096	5.1
281.19104	7.8
287.20099	8.8
299.20035	20.7
317.21140	35.2
317.24487	7.0
335.22177	26.7
335.25656	5.1
353.23239	35.0
364.08368	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03944	4.2
55.01870	6.9
55.05512	33.8
57.03439	18.6
57.07074	7.9
65.03949	2.9
67.05507	80.0
69.06181	3.8
69.06580	17.6
69.07073	40.5
71.04993	7.0
71.08633	65.1
79.05054	4.5
79.05495	50.0
81.07060	100.0
83.04987	7.9
83.08618	20.1
85.06546	3.2
88.07619	2.8
89.06034	2.4
91.05486	25.9
93.07051	52.4
95.04969	3.1
95.08608	76.3
96.08965	3.0
97.06531	10.0
97.10168	14.6
99.08100	60.3
105.07046	24.9
107.07871	2.6
107.08591	38.3
109.10159	36.0
111.08083	6.9
111.11714	3.2
117.07006	7.4
119.08586	14.2
121.10155	21.3
123.08069	2.8
123.11700	16.9
125.09639	9.6
127.11223	4.1
131.08574	13.2
133.10146	9.8
135.08047	3.7
135.11693	21.7
137.09598	4.6
137.12230	2.2
137.13260	9.8
143.08592	3.2
145.10124	10.9
147.11703	31.0
149.13310	15.6
151.11169	2.7
151.14894	4.2
153.12726	6.6
157.10095	4.1
159.11703	10.3
161.13269	7.4
163.11194	6.2
163.14847	18.0
165.12778	8.7
167.14279	3.3
171.11676	2.8
173.11914	3.4
173.13199	13.8
175.14882	2.5
177.16422	3.9
181.15929	5.6
183.11716	2.4
187.14844	6.3
189.11258	6.2
193.06549	3.2
205.06355	2.6
221.05954	3.0
233.22694	4.3
235.07492	4.3
243.21144	18.9
249.05467	5.6
251.23676	3.6
261.22131	35.1
262.22708	2.4
263.07001	4.5
264.07886	4.0
277.04910	3.6
279.06531	4.7
279.23245	28.5
280.07309	3.5
291.06500	6.7
292.07367	18.5
293.08081	6.2
294.08792	3.6
295.06015	2.2
295.09659	3.4
307.02875	2.5
307.06201	5.8
321.07391	4.0
321.11136	2.5
322.08511	16.5
322.11786	4.5
323.09109	11.9
340.78500	2.6
353.10147	37.8
353.13934	9.6
353.26871	53.0
354.10397	5.6
354.14493	5.1
354.26801	6.9
354.33691	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.22108	1.1
52.59813	1.2
53.00670	0.9
53.03945	2.4
55.02522	1.1
55.05508	14.8
57.03434	5.9
57.07070	4.5
62.71893	1.1
65.03946	2.6
67.05504	95.3
68.05834	3.0
69.07071	11.7
69.44875	7.4
69.45564	0.9
71.04985	1.5
75.04491	2.1
79.05492	45.2
80.05830	1.2
81.07055	100.0
82.07380	1.7
83.04996	1.2
83.08622	8.0
85.06542	3.4
91.05476	20.0
93.07043	55.9
95.04961	2.3
95.08605	71.9
96.08933	2.5
97.06532	1.8
97.10164	2.9
99.08098	2.0
105.07034	16.5
107.08597	36.5
108.08955	1.1
109.10159	38.1
110.10500	1.2
111.08117	1.5
113.09662	2.0
116.18988	1.0
117.07004	6.4
119.08563	11.7
120.99690	1.1
121.10142	30.8
123.08111	2.0
123.11702	22.7
124.11998	1.7
131.08560	16.3
133.10124	15.5
135.11681	25.0
137.09616	2.0
137.13254	8.6
137.14160	1.3
145.10123	14.1
147.11693	8.0
149.13246	20.4
150.13638	1.6
151.11179	1.9
151.14830	3.2
153.12794	1.6
159.11697	14.3
160.11943	1.3
161.13219	8.5
163.11285	1.3
163.14793	11.3
173.13248	14.1
174.13568	1.6
175.14833	3.5
177.16386	3.6
177.76308	1.1
179.14311	1.7
187.14784	9.1
201.16434	2.8
205.16052	1.4
209.84993	1.2
215.17982	1.3
233.22591	4.0
243.21048	17.8
244.21552	1.5
261.22134	87.8
262.22461	7.2
263.07242	1.3
279.23218	4.7
295.55472	1.2
322.08255	1.3
335.25827	10.3
336.26114	1.2
353.10205	3.9
353.13721	2.5
353.26831	22.0
354.10806	2.4
354.27258	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.16128	0.7
53.03950	2.9
55.01867	1.2
55.05511	14.6
57.03447	7.1
57.07067	4.3
65.03938	3.6
65.85168	0.7
67.05503	99.9
68.05840	2.1
69.07066	14.8
69.10166	3.3
69.10593	3.5
71.04996	2.2
71.08619	1.1
75.04480	1.3
77.03905	1.0
79.05492	40.0
80.05846	1.6
81.07054	100.0
82.07388	2.3
83.04993	1.5
83.08620	7.5
85.06551	2.7
85.10164	0.7
91.05479	22.5
93.07042	54.9
94.07392	2.0
95.04974	2.6
95.08604	76.4
96.08943	2.6
97.06532	3.2
97.10168	2.9
99.08067	2.2
105.04533	0.8
105.07035	16.6
107.08589	39.9
108.08945	0.9
109.06516	1.6
109.10152	41.7
110.10486	0.8
111.08065	1.6
111.11684	1.0
113.09661	1.8
117.06998	8.1
119.08582	15.5
121.10141	33.0
122.10492	1.2
123.08128	1.6
123.11710	22.0
124.12014	0.9
127.11193	1.0
129.05565	0.7
129.07005	1.5
131.08565	20.3
133.10132	12.8
135.11687	25.3
135.82237	0.6
136.12001	0.7
137.09628	1.3
137.13252	7.5
139.11195	1.2
145.10126	15.5
147.11667	10.9
149.09628	1.0
149.13254	18.2
151.11145	1.2
151.14784	2.6
153.12784	1.4
157.10072	1.9
159.11685	13.7
160.11980	1.0
161.13257	8.1
163.11212	1.0
163.14836	10.6
164.37122	0.8
171.11687	0.9
173.13258	15.3
173.14645	1.4
174.13719	1.2
175.14816	3.6
177.12640	0.9
177.16409	4.6
179.14296	1.1
181.15692	0.7
185.13281	0.9
187.14806	9.6
189.16394	0.9
191.14259	1.1
195.11696	1.1
201.16316	3.2
205.15770	1.1
209.15309	1.2
215.17984	0.9
219.17473	1.0
223.16710	0.7
233.22545	3.6
243.21059	16.4
244.21309	1.4
261.22131	85.1
262.22507	6.3
263.23621	1.2
269.15302	1.2
279.23132	5.3
291.06619	0.9
292.07175	1.4
309.12576	0.8
317.24780	1.6
322.08194	1.2
335.25925	8.6
336.26126	1.3
338.07397	1.0
339.03714	0.7
353.10034	2.4
353.18582	0.8
353.27020	19.4
354.26932	2.7
376.55356	0.8
378.72443	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01870	6.9
55.05512	33.8
57.03439	18.6
57.07074	7.9
65.03949	2.9
67.05507	80.0
69.06181	3.8
69.06580	17.6
69.07073	40.5
71.04993	7.0
71.08633	65.1
79.05054	4.5
79.05495	50.0
81.07060	100.0
83.04987	7.9
83.08618	20.1
85.06546	3.2
88.07619	2.8
89.06034	2.4
91.05486	25.9
93.07051	52.4
95.04969	3.1
95.08608	76.3
96.08965	3.0
97.06531	10.0
97.10168	14.6
99.08100	60.3
105.07046	24.9
107.07871	2.6
107.08591	38.3
109.10159	36.0
111.08083	6.9
111.11714	3.2
117.07006	7.4
119.08586	14.2
121.10155	21.3
123.08069	2.8
123.11700	16.9
125.09639	9.6
127.11223	4.1
131.08574	13.2
133.10146	9.8
135.08047	3.7
135.11693	21.7
137.09598	4.6
137.12230	2.2
137.13260	9.8
143.08592	3.2
145.10124	10.9
147.11703	31.0
149.13310	15.6
151.11169	2.7
151.14894	4.2
153.12726	6.6
157.10095	4.1
159.11703	10.3
161.13269	7.4
163.11194	6.2
163.14847	18.0
165.12778	8.7
167.14279	3.3
171.11676	2.8
173.11914	3.4
173.13199	13.8
175.14882	2.5
177.16422	3.9
181.15929	5.6
183.11716	2.4
187.14844	6.3
189.11258	6.2
193.06549	3.2
205.06355	2.6
221.05954	3.0
233.22694	4.3
235.07492	4.3
243.21144	18.9
249.05467	5.6
251.23676	3.6
261.22131	35.1
262.22708	2.4
263.07001	4.5
264.07886	4.0
277.04910	3.6
279.06531	4.7
279.23245	28.5
280.07309	3.5
291.06500	6.7
292.07367	18.5
293.08081	6.2
294.08792	3.6
295.06015	2.2
295.09659	3.4
307.02875	2.5
307.06201	5.8
321.07391	4.0
321.11136	2.5
322.08511	16.5
322.11786	4.5
323.09109	11.9
340.78500	2.6
353.10147	37.8
353.13934	9.6
353.26871	53.0
354.10397	5.6
354.14493	5.1
354.26801	6.9
354.33691	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.5
53.03947	3.6
55.01869	7.2
55.05507	16.5
57.03442	5.4
57.07077	5.8
61.63391	1.6
65.03938	2.6
67.05504	95.1
67.20491	1.4
67.25781	1.4
68.05836	2.2
69.01094	15.1
69.01497	3.3
69.07072	13.9
70.06613	2.4
70.61799	1.6
71.05011	2.3
71.08643	4.9
74.69996	1.5
77.03973	1.7
77.55132	1.3
79.05489	57.9
81.07055	100.0
82.07352	2.0
83.04970	1.4
83.08624	9.0
85.06557	3.1
88.07647	3.3
90.77416	1.5
91.05476	30.9
93.07043	74.9
94.07386	1.8
95.04990	2.0
95.08605	79.4
96.08948	2.7
96.49844	1.6
97.06515	3.7
97.10178	3.6
98.23363	2.7
99.08099	4.5
102.09175	3.1
105.07035	22.4
106.07377	1.7
107.07863	2.4
107.08591	44.0
107.09280	3.1
108.08922	2.0
109.06515	3.4
109.10153	31.6
111.08068	2.4
113.09655	3.5
117.07014	12.0
119.08588	14.3
121.10146	35.8
123.08101	2.5
123.11702	16.2
129.07056	1.8
131.08562	28.2
133.10132	12.5
135.11697	25.1
137.13269	7.5
145.10101	18.4
147.11697	10.8
149.09666	2.4
149.13252	22.8
149.99190	1.5
151.14839	3.6
153.12761	2.8
155.08524	1.6
155.82988	1.4
157.10144	2.5
159.11699	14.9
161.13260	14.2
163.14806	19.4
167.08473	1.7
173.13254	14.6
175.14853	3.3
176.06235	1.7
177.16429	6.7
178.07867	2.4
179.08539	2.7
181.06567	2.4
181.10162	1.5
186.71602	1.6
187.14864	9.7
189.06966	1.6
191.08583	1.8
193.06578	2.1
194.07169	1.8
195.07976	3.5
196.01314	1.5
201.16364	3.6
205.06509	6.7
206.07259	4.0
207.08060	4.6
208.08719	2.8
209.06033	2.9
209.09607	4.4
211.07626	2.0
215.18118	1.6
219.08116	3.4
220.05287	2.6
220.08844	3.0
221.06018	9.8
221.09488	3.4
222.06789	3.4
223.07558	5.5
224.08353	2.2
225.09128	1.5
227.07025	1.7
233.05998	5.6
233.09674	2.2
233.22638	7.8
234.06738	5.4
235.07472	10.2
235.11206	3.4
236.08247	7.7
237.05435	6.8
237.09085	7.7
238.06297	3.9
239.06960	3.9
243.21062	31.1
247.07552	3.2
248.08376	5.4
249.05489	16.4
249.09039	5.9
250.06184	5.2
250.09947	2.4
251.07027	10.6
251.10736	3.0
252.07625	4.0
252.11487	1.6
253.05376	1.4
253.08650	4.4
261.05460	2.5
261.09094	1.6
261.22119	79.6
262.06262	3.9
262.09964	2.3
262.22504	6.2
263.06931	9.9
263.10696	5.6
264.07736	14.4
264.10349	1.9
265.04919	4.5
265.08572	16.0
265.11826	2.4
266.05783	3.4
266.08990	3.3
267.06589	3.8
267.10147	6.6
269.18201	1.8
275.07010	2.9
277.05014	8.8
277.08282	7.4
278.05856	3.5
278.09317	7.2
279.06583	13.3
279.10129	10.3
279.23270	2.4
280.07281	8.3
280.10773	4.4
281.08026	5.3
281.11694	1.3
282.08875	2.1
291.06540	19.8
291.10095	4.8
292.07291	35.8
292.10623	3.5
293.08017	14.8
293.11691	9.8
294.08496	3.2
294.12546	2.2
295.05991	7.0
295.09598	12.8
295.12772	3.0
296.06686	3.1
296.10181	3.3
297.10944	2.4
306.08755	4.4
307.05954	9.7
307.09592	11.4
307.12732	2.0
308.06674	5.1
308.10129	3.4
309.07480	7.0
309.11166	4.0
310.08429	2.5
310.11865	6.3
311.09012	4.5
311.12766	7.2
320.06805	1.9
320.10443	3.0
321.07513	12.6
321.11237	22.8
322.08334	40.4
322.11945	15.9
323.05411	3.2
323.09058	30.9
323.12665	6.5
324.09885	2.4
325.10760	2.9
325.14359	5.6
335.25778	6.3
338.07611	7.2
338.11374	9.6
339.08356	4.2
339.12225	8.3
353.10123	90.0
353.13828	70.2
353.26865	5.8
354.10596	14.1
354.14450	20.2
354.33682	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
55.05510	13.8
57.03425	3.7
57.07069	3.8
65.03938	2.4
67.05506	90.6
68.05846	2.9
69.07062	12.0
69.09245	9.0
69.09533	0.9
71.04995	1.9
74.69632	1.0
75.04483	1.6
76.81508	1.0
79.05492	51.1
81.07057	91.5
82.07396	2.0
83.04993	1.5
83.08608	6.4
85.06541	2.0
86.70740	0.9
91.05479	22.5
91.06007	1.9
93.07045	61.1
94.07373	1.3
95.04980	2.3
95.08607	63.1
96.08946	2.2
97.06509	2.6
97.10175	2.8
99.08075	1.6
105.04546	1.4
105.07028	19.9
107.08595	37.2
109.06583	1.1
109.10156	35.2
110.10429	1.4
111.08075	2.3
113.09666	1.6
117.07011	10.0
119.08584	14.6
121.10140	30.1
123.08022	1.0
123.10824	1.1
123.11708	20.3
124.12038	1.1
125.09608	1.2
131.08574	19.3
133.10117	12.9
135.11699	27.8
136.12045	1.3
137.09613	1.9
137.13280	7.3
145.10118	13.7
147.11684	8.6
149.13252	19.0
151.14835	2.5
159.11700	12.6
161.13245	9.9
163.14804	12.1
165.12813	1.6
173.13261	17.5
174.17447	1.1
175.14827	4.1
177.16357	2.9
179.14334	1.2
187.14813	10.4
189.16280	1.8
191.14200	1.3
201.16353	2.4
226.91414	1.0
233.22704	5.3
243.21066	18.6
244.21324	1.8
261.22134	100.0
262.22467	6.6
263.23444	1.7
279.23190	3.7
322.08157	1.3
335.25842	5.9
341.35190	1.0
353.10007	3.2
353.26807	22.3
354.27426	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01881	1.2
55.05509	13.9
57.03430	4.0
57.07076	3.9
65.03939	4.7
67.05507	94.0
68.05841	1.6
69.07073	12.4
71.04980	2.2
71.08633	1.3
79.05495	45.6
81.07060	97.6
82.07388	2.6
83.04955	1.1
83.08628	6.4
83.09055	1.0
84.44884	1.2
85.06552	2.4
91.05479	22.5
93.07047	59.8
94.07369	2.0
95.04973	2.6
95.08610	66.0
96.08930	2.6
97.06539	2.8
97.10173	3.0
98.22610	2.1
99.08085	1.7
105.04539	1.3
105.07030	18.4
105.60255	1.1
107.08596	41.2
109.10159	35.7
110.10487	2.4
111.08089	2.4
111.11648	1.2
117.07024	8.4
119.08578	14.9
121.10142	35.1
123.08012	1.2
123.11714	16.8
126.19792	1.1
130.07741	1.1
131.08572	19.8
133.10127	14.0
135.11697	28.9
137.13251	8.3
145.10132	16.0
147.11682	9.9
149.13263	21.3
151.11241	0.9
151.14853	2.6
159.11696	15.2
161.13269	9.6
163.14796	10.3
173.13269	16.7
175.14781	3.1
177.16409	3.8
179.14328	2.1
187.14838	9.8
189.16414	1.7
201.16422	3.2
205.15907	1.2
230.00183	1.1
233.13063	1.0
233.22672	3.5
241.76065	1.0
243.21103	19.7
244.21519	1.2
254.24498	1.1
261.22147	100.0
262.22495	5.9
279.23196	1.8
294.03421	1.1
307.09601	1.2
307.13068	1.3
309.11313	1.3
321.11292	1.6
335.25824	5.5
339.12228	4.2
353.13748	3.0
353.26895	21.6
354.14597	3.9
354.27048	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.7
55.05510	16.0
57.03431	4.8
57.07091	6.1
60.34792	1.2
64.49779	1.0
65.03935	2.8
65.50016	1.3
67.05506	100.0
68.05824	1.6
69.07072	16.3
70.01398	3.5
71.04992	2.1
71.08631	5.0
75.04464	1.6
79.05491	54.7
81.07057	98.4
82.07393	1.8
83.05014	1.4
83.08618	7.7
85.06557	2.8
85.10152	2.0
89.45007	1.2
91.05473	24.9
93.07045	65.3
94.07379	2.1
95.04984	2.8
95.08607	76.9
96.08930	2.1
97.06519	3.3
97.10166	5.1
98.22615	1.1
99.08102	4.0
105.04550	1.6
105.07024	21.6
107.08596	38.9
109.06543	2.4
109.10159	28.3
111.08099	1.8
111.58779	1.4
113.09669	2.7
117.07019	12.1
119.08585	14.3
121.10150	33.7
122.10475	2.0
123.11706	16.4
125.09630	1.7
127.04559	1.2
127.07659	1.2
129.07025	2.1
131.08568	23.7
133.10118	11.3
135.11694	26.4
136.11998	1.4
137.13258	8.0
139.11147	1.9
145.10127	16.0
147.11702	10.7
149.09633	2.7
149.13251	22.3
151.14824	4.6
153.12767	2.4
157.10114	1.4
159.11685	14.7
161.13280	11.5
163.14796	16.3
165.12782	1.8
165.16385	1.4
173.13278	14.4
174.13498	1.5
175.14824	3.5
177.16307	6.3
181.75310	1.2
187.14822	11.2
188.15147	1.5
191.14235	3.1
195.11656	1.3
201.16408	3.2
205.06654	1.3
219.21274	1.4
221.05986	2.5
233.22636	5.7
235.07515	2.5
237.09181	1.3
243.21095	28.4
249.05553	2.6
250.06137	2.1
261.22134	72.2
262.22391	7.0
264.07660	1.6
265.08600	1.9
268.07309	2.1
269.15448	1.1
279.06552	3.6
279.23233	4.1
280.07306	2.8
281.07996	2.6
282.05289	1.2
283.09634	2.4
291.06735	1.3
292.07260	7.6
293.07971	2.8
295.06082	3.5
296.06772	2.0
307.06058	2.9
310.08188	1.7
311.09100	4.5
320.07159	1.3
321.07648	2.5
322.08408	8.8
323.05502	2.7
323.09024	4.3
325.10623	2.5
335.25800	9.6
338.07703	5.1
353.10193	25.0
353.26813	5.0
354.10446	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09062	3.1
53.33902	3.0
55.01873	5.2
55.05516	20.7
57.03429	3.8
61.02928	21.1
62.99065	6.7
67.05505	6.5
69.03433	11.8
69.75087	14.8
73.02918	6.1
73.04729	5.9
79.05485	26.7
81.03396	4.2
83.04975	9.3
85.02916	16.9
89.02406	5.2
93.00072	4.1
93.07053	27.2
95.04970	4.7
97.02873	8.3
97.06528	21.4
98.22604	3.7
99.04468	3.5
102.98510	6.3
105.03751	4.8
110.06030	7.3
111.04445	12.0
117.03344	4.7
120.99564	15.3
121.06504	10.8
127.03937	7.6
129.05458	7.8
135.04414	8.2
136.07573	21.9
138.05377	4.3
139.03900	23.7
139.07536	100.0
145.02782	4.2
145.04874	4.1
157.04967	10.5
157.08620	58.6
163.03914	28.4
164.07065	41.3
175.04471	6.8
175.06004	52.5
175.09641	25.3
179.03395	3.6
179.46013	3.5
182.08119	28.8
192.03876	5.8
192.06505	6.4
193.05283	99.8
285.01117	6.2
354.11673	11.0
355.10315	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3364
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05510	13.2
57.07066	14.5
58.06597	16.9
60.04514	4.2
64.76340	1.9
64.84710	1.9
67.05507	10.9
69.07068	21.1
70.02958	4.5
70.06586	8.5
70.95578	4.2
71.04971	2.5
71.08616	7.1
72.04490	3.4
74.06075	3.1
79.05486	2.5
81.07050	17.8
82.06575	2.4
82.88042	2.1
83.08633	13.2
84.08134	4.4
85.10167	5.9
86.06088	5.3
88.07648	2.0
93.07027	4.0
95.08598	20.0
97.10168	11.5
107.08588	2.2
109.10151	7.8
111.11736	3.1
123.11739	4.6
123.17480	2.2
306.31375	3.1
307.30136	2.7
308.33054	3.0
326.34253	4.4
336.32498	12.5
354.33627	100.0
355.15314	5.2
355.34167	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.9401
Annotation	Unknow
Peak:m/z	Relative Intensity
70.53284	9.2
72.13701	4.2
76.52030	3.2
89.17336	2.9
98.22822	4.1
98.97577	16.7
116.98647	7.0
134.99655	3.9
179.20424	4.0
180.97835	65.0
196.91875	4.2
196.95088	8.1
198.98889	100.0
214.47966	3.6
217.00087	6.3
222.00519	12.7
250.52872	4.0
290.94644	8.2
312.95123	5.1
354.94110	8.1
355.11752	4.8
355.16467	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1023
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
56.15678	1.3
67.05505	2.3
68.99770	2.3
69.03422	2.5
69.43189	3.2
69.43587	5.1
70.48873	1.4
79.05482	2.7
83.04984	1.3
85.02920	1.4
89.03912	6.3
93.07045	1.3
99.26215	1.5
104.26804	1.5
104.34724	1.3
105.07029	1.7
107.04971	5.2
111.04463	2.0
117.03373	8.9
121.02871	70.4
133.02870	3.2
135.04431	20.3
137.05986	3.3
145.02853	13.2
163.03911	100.0
164.04234	2.9
172.33356	1.7
173.43961	1.5
178.02602	3.4
181.04955	13.7
193.04953	39.9
193.06667	2.7
194.05269	1.7
203.03400	2.0
205.04951	11.3
206.05696	3.2
217.05029	3.0
217.06995	1.4
219.06436	1.7
235.06020	7.8
245.08269	2.9
251.31323	1.3
259.06210	2.8
289.07129	4.0
319.07965	2.3
320.11325	1.6
337.09186	2.7
355.09879	3.2
355.13617	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.102
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
50.65227	2.4
52.63535	2.0
58.98774	2.0
69.03477	2.4
69.57922	11.1
69.58299	4.5
70.03794	2.4
71.48054	2.1
73.50616	2.2
78.12135	2.3
81.03415	3.4
89.03914	9.0
92.43874	2.2
110.06027	6.6
117.03390	12.3
122.22347	2.4
126.85313	2.4
127.77215	2.4
135.04407	23.4
136.07547	17.6
145.02858	13.6
163.03899	100.0
164.07071	36.2
182.08118	20.0
221.05591	6.7
253.23492	2.5
262.47760	2.3
304.03903	2.3
337.10190	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1023
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
53.79820	2.2
64.47469	2.2
70.85219	3.4
70.85545	3.3
71.59595	2.2
73.72691	2.1
73.81399	2.5
74.33403	2.0
81.77929	2.3
88.54611	2.7
89.03916	10.2
91.05450	4.2
94.05560	2.3
107.04970	3.5
117.03374	10.3
135.04440	22.4
137.05988	8.2
145.02820	11.7
147.04442	5.8
149.12067	2.5
154.16063	2.7
163.02538	4.9
163.03906	100.0
164.04213	3.0
355.13821	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1022
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
54.52689	0.7
63.40316	0.7
67.28990	0.7
71.03560	1.2
75.21510	0.7
79.05495	1.8
88.38409	0.7
89.03925	8.1
100.45201	0.7
107.04971	1.9
117.03391	9.9
124.37090	0.8
134.98499	0.9
135.04428	18.1
145.02855	13.2
163.03917	100.0
164.04242	3.4
176.27744	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1175
Annotation	Vitrofolal B
Peak:m/z	Relative Intensity
69.09077	4.3
71.07949	0.5
77.35273	0.5
85.20116	0.4
95.51706	0.4
96.20923	0.4
108.05042	0.4
119.83787	0.4
152.06152	0.9
155.08595	0.5
165.07008	2.6
166.07765	1.6
167.08469	0.6
168.05858	0.5
176.06204	1.0
177.06953	1.7
178.07796	1.6
179.08536	1.4
181.06448	0.7
183.08041	0.8
189.06995	1.0
190.07773	0.5
191.08521	1.1
192.05594	0.5
193.06439	1.3
194.07274	4.4
195.08017	1.4
204.05768	1.5
205.06516	4.7
206.07217	2.1
207.04337	0.5
207.08006	2.4
208.05232	0.7
208.08754	1.0
209.05943	1.2
209.09653	2.4
209.52403	0.4
210.06728	0.9
211.07516	2.2
218.07225	0.7
219.08038	2.0
220.05176	1.2
221.05997	3.4
221.09529	0.6
222.06757	8.4
223.07440	2.5
224.08406	1.0
225.05449	0.9
225.09274	0.5
226.06180	0.5
232.05260	1.3
233.05994	2.9
234.06715	1.9
235.03960	1.4
235.07518	3.5
236.08281	1.8
237.05534	2.2
237.09071	5.4
238.06139	1.3
238.09174	0.4
239.07030	3.2
240.07434	0.6
247.07509	1.1
248.04651	0.8
249.05490	2.4
249.08946	0.5
250.06245	12.6
251.07024	4.9
252.07747	1.3
253.05119	0.9
253.08611	1.6
254.05534	1.2
261.05478	1.0
262.06241	1.3
263.07059	4.3
264.04208	0.5
264.07800	2.5
265.05051	2.1
265.08585	17.1
266.05670	1.5
266.09189	2.6
267.06467	3.9
267.10040	0.8
268.07111	0.5
269.08069	1.2
275.06964	0.6
277.04935	1.3
277.08493	0.4
278.05698	2.4
279.06537	6.5
279.09830	1.0
280.07193	3.0
281.08072	2.0
282.08987	2.6
290.05771	0.6
291.06516	4.6
292.07312	2.3
293.04935	0.9
293.08057	19.8
294.05215	14.3
294.08691	6.1
295.05856	4.0
295.09595	2.2
297.07541	2.9
297.11139	1.4
305.08176	0.9
306.08920	0.6
307.06049	1.2
307.09436	0.6
308.06802	3.0
309.07565	39.4
310.08093	5.4
311.08997	1.0
313.10648	2.0
322.08392	0.7
323.09131	11.9
323.12302	0.5
324.09854	4.0
324.13330	1.0
325.07053	3.0
325.10724	4.8
325.14532	0.9
326.11194	1.0
340.09363	4.5
340.12790	0.6
355.11737	100.0
356.07635	0.7
356.12109	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1175
Annotation	Vitrofolal B
Peak:m/z	Relative Intensity
54.52009	0.2
55.01815	0.3
56.89164	0.2
67.05490	0.3
68.99757	0.3
69.66766	1.2
90.35402	0.3
95.04935	0.3
99.04432	0.3
152.06190	0.7
153.07056	0.5
155.08496	0.4
163.05348	0.3
165.06950	2.4
166.07750	1.6
167.08557	1.2
168.05685	0.5
176.06186	1.0
177.07008	1.8
178.07776	1.4
179.08534	1.5
180.05661	0.4
181.06467	1.3
181.10065	0.5
182.07234	0.4
183.08032	0.8
189.06978	1.0
190.07693	0.9
191.08557	0.9
192.05634	0.6
193.06496	1.5
194.05551	0.4
194.07285	5.8
195.08038	1.9
196.05136	0.5
196.08769	0.3
197.05853	0.3
198.06709	0.5
199.07440	0.3
204.05641	0.9
205.06502	4.7
206.07289	1.7
207.04375	0.8
207.08058	2.5
208.05203	0.8
208.08768	0.8
209.05952	1.2
209.09618	2.5
210.06712	0.9
210.09967	0.3
211.07513	1.4
211.11147	0.3
213.08990	0.4
214.57104	0.3
218.07196	0.4
219.04276	0.3
219.08032	2.3
220.05130	1.0
220.08823	0.3
221.05963	3.6
221.09456	0.3
222.06743	9.4
223.07477	3.1
224.04744	0.5
224.08127	0.7
225.05409	0.5
226.06149	0.9
232.05153	1.2
233.05978	4.0
234.06680	2.1
235.03854	1.4
235.07480	4.0
236.04605	0.7
236.08199	1.5
237.05476	2.5
237.09076	7.5
238.06270	1.3
238.09618	0.5
239.06979	3.5
240.07620	0.3
241.08510	0.5
241.12158	0.3
247.07481	1.3
248.04692	0.5
248.08316	0.5
249.05489	2.8
249.08983	0.5
250.06236	12.7
251.03166	0.4
251.07004	4.8
252.04088	0.6
252.07771	1.9
253.04759	0.7
253.08630	1.5
254.05725	1.5
254.09370	0.7
261.05530	1.4
262.06186	1.0
263.06967	4.1
264.04404	0.6
264.07779	2.5
265.04996	1.8
265.08582	17.4
266.05731	1.5
266.09140	2.7
267.06589	3.9
267.09689	0.5
268.07111	0.4
269.07980	1.1
275.07193	0.8
277.04953	1.8
277.08279	0.5
278.05734	2.7
279.06494	6.5
279.09717	0.5
280.03979	0.5
280.07245	2.3
281.04840	0.5
281.08044	1.9
282.05591	0.5
282.08752	2.1
283.06192	0.4
283.09406	0.6
290.05774	0.4
291.06461	4.9
292.07208	2.9
293.04575	1.6
293.08044	22.0
294.05188	14.8
294.08673	6.0
295.05884	5.2
295.09546	2.3
296.06693	0.7
296.10254	0.3
297.07535	2.8
297.11124	0.8
298.08221	0.3
300.06342	0.3
303.31381	0.3
305.08148	0.6
306.08728	1.0
307.06174	1.2
307.09262	0.3
307.74805	0.3
308.06711	4.3
309.07547	37.1
310.04657	0.4
310.08051	5.7
311.05453	0.8
311.08875	0.8
312.09897	0.9
313.07019	0.4
322.08228	1.3
323.09131	12.2
324.06137	0.6
324.09827	5.5
325.07007	3.9
325.10666	3.7
326.07657	0.7
339.08572	0.7
340.09396	4.7
341.09976	0.6
355.11734	100.0
356.12079	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1174
Annotation	3-Hydroxyterphenyllin
Peak:m/z	Relative Intensity
54.45829	0.8
55.01866	1.0
64.55668	0.8
68.99792	1.0
69.11798	3.2
69.12220	3.1
76.26456	0.7
83.18325	0.7
94.58795	0.7
110.33334	0.7
120.17060	0.7
131.76370	0.7
152.06186	1.2
153.07050	1.1
165.06996	7.1
166.07747	4.8
167.08510	1.3
168.05626	1.3
176.06197	3.0
177.07030	5.5
178.07751	5.8
179.04881	1.1
179.08537	4.2
180.05692	1.1
180.09126	0.9
181.06459	2.5
181.10178	1.2
182.07394	0.8
183.08052	1.0
185.06026	0.7
189.06978	3.0
190.07684	1.7
191.08492	2.7
192.05664	2.1
193.06453	2.9
194.07266	20.2
195.07942	4.4
197.05951	1.2
198.06793	1.7
203.52672	0.7
204.05733	3.8
205.06494	14.5
206.07230	7.1
207.04457	2.3
207.08070	7.7
208.05214	2.2
208.08762	1.6
209.06110	3.7
209.09573	5.2
210.06770	1.6
211.07559	3.2
218.07303	1.0
219.04425	1.0
219.08064	7.0
220.05347	1.7
221.05980	8.6
222.06749	24.1
223.03864	1.5
223.07413	5.3
224.04759	0.9
224.08276	1.7
225.05470	1.9
225.09088	0.8
226.06210	1.4
232.05222	4.2
233.05927	11.2
234.06641	6.1
235.03931	2.7
235.07524	10.2
236.04572	1.3
236.08130	3.7
237.05521	6.3
237.09082	19.0
238.06142	2.3
238.09723	1.8
239.06932	4.7
247.03926	1.2
247.07527	4.4
248.04701	1.1
248.08183	1.6
249.05504	9.1
249.09117	1.8
250.06236	33.1
251.03444	2.2
251.06900	11.1
252.04086	1.4
252.07698	3.0
253.04980	2.0
253.08473	2.8
254.05704	1.2
254.09364	1.3
261.05469	2.2
262.06210	4.7
263.03644	1.4
263.06976	10.5
263.10062	1.0
263.10602	0.8
264.07758	8.4
265.05075	6.6
265.08566	49.3
266.05643	2.8
266.09070	4.8
267.06503	4.1
267.10132	2.2
268.07123	0.9
269.08170	0.9
275.07077	2.3
277.04938	6.7
277.08566	3.1
278.05695	6.4
278.08652	1.0
279.06662	5.9
280.04132	1.5
280.07281	6.8
280.10529	1.5
281.04639	0.9
281.08032	3.0
282.05295	0.9
282.08817	2.6
283.05859	1.2
290.05685	1.1
291.06506	13.3
292.07233	10.4
293.08044	76.0
294.05197	4.2
294.08521	8.6
295.05939	4.1
295.09631	6.6
295.13010	1.4
296.06543	0.9
296.09924	1.4
297.07547	2.9
297.11194	2.5
304.07178	1.0
305.08173	1.9
306.08716	3.7
307.05942	1.6
307.09271	1.0
308.06796	11.5
309.07596	9.8
309.10968	1.4
310.08371	3.5
311.05444	4.3
311.08664	1.1
312.09888	1.0
322.08325	1.2
323.05194	1.7
323.09125	34.9
323.12570	1.7
324.09857	11.1
324.13412	1.3
325.06958	3.0
325.10672	7.7
326.07849	3.0
340.09448	8.1
341.09912	1.2
354.33493	1.1
355.11713	100.0
355.15430	10.6
356.12073	9.1
356.15973	1.2
363.11465	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1175
Annotation	3-Hydroxyterphenyllin
Peak:m/z	Relative Intensity
53.76600	0.6
55.01851	1.0
55.05512	4.1
67.05480	0.7
69.07059	2.9
69.61131	1.4
69.61534	2.6
70.06596	4.9
73.69030	0.8
81.07100	0.8
83.08608	2.0
88.07622	7.5
95.08597	1.1
97.10145	0.7
102.09147	2.0
105.07056	0.7
106.08680	3.3
107.08577	0.7
108.88943	0.8
110.46404	0.6
119.08600	1.3
121.10142	0.7
131.08569	0.8
145.10077	0.8
152.06195	2.4
153.07030	1.0
165.06995	7.4
166.07776	6.0
167.08548	0.8
168.05739	1.9
176.06233	3.6
177.06989	4.5
178.07738	5.3
179.08556	4.0
180.05687	1.5
181.06496	1.9
181.10123	1.6
182.07297	1.1
183.08044	0.8
189.07024	3.6
190.07803	2.1
191.08614	3.6
191.10046	0.7
192.05692	2.0
193.06450	3.9
194.07253	18.6
195.08014	4.3
197.09573	1.0
204.05696	5.0
205.06483	15.2
206.07231	5.2
207.04442	2.6
207.08005	7.9
208.05106	1.9
208.08788	1.3
209.06038	3.2
209.09634	6.6
210.06799	1.7
211.07574	2.4
217.06561	1.0
218.07184	0.9
219.08020	8.0
220.05141	2.3
221.05986	8.6
222.06743	24.2
223.07414	6.1
224.04729	1.1
224.08069	1.2
225.05469	2.1
226.06383	1.4
232.05174	5.4
233.05939	11.4
234.06660	6.2
235.03886	3.1
235.07535	13.3
236.04698	1.6
236.08138	4.4
237.05562	5.5
237.09090	16.9
238.06235	2.6
238.09488	2.0
239.06995	3.9
240.07669	0.9
247.07597	3.2
248.04573	1.6
248.08372	0.9
249.05455	7.6
250.06230	34.7
251.06915	11.0
252.07753	5.2
253.04958	1.6
253.08553	2.1
254.05719	2.1
254.09325	1.0
261.05396	4.8
262.06207	4.4
263.07013	9.9
264.03934	1.0
264.07788	6.8
265.05051	5.2
265.08575	47.9
266.05685	1.9
266.09012	4.9
267.06577	4.7
267.09848	3.6
268.06949	0.7
269.08075	0.8
275.07068	1.3
277.04977	4.7
277.08502	1.1
278.05658	6.6
279.06433	8.7
280.07181	5.5
281.04523	1.2
281.08054	2.7
282.05429	0.9
282.08826	2.3
290.05966	0.9
291.06519	12.7
292.07254	8.7
293.08060	79.9
294.05164	2.9
294.08569	11.0
295.06003	2.7
295.09656	7.0
296.06824	1.8
297.07559	2.8
297.11203	2.3
305.08145	1.6
306.05502	1.0
306.08887	2.9
307.06213	1.4
307.09451	0.9
308.06741	7.5
309.07492	10.6
310.04840	1.0
310.08267	3.0
311.05566	1.1
311.09018	1.6
311.26855	0.9
312.09756	1.8
313.07169	1.1
323.09119	29.0
324.09723	10.2
325.07028	4.0
325.10684	7.6
326.07642	2.1
338.34082	2.5
340.09409	10.0
341.10092	2.2
354.33591	1.5
355.11737	100.0
356.12015	9.4
356.15640	0.9
356.35199	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1175
Annotation	3-Hydroxyterphenyllin
Peak:m/z	Relative Intensity
53.71884	0.7
67.05473	1.6
68.99739	0.8
69.10168	6.4
74.52749	0.7
77.34445	0.6
81.07024	1.2
94.07335	0.8
98.22598	1.2
140.81418	0.8
152.06168	2.5
153.06972	1.7
154.35396	0.7
164.06303	0.7
165.07005	7.9
166.07764	6.8
166.79588	0.7
167.08510	0.9
168.05663	1.2
169.06451	0.9
176.06226	4.3
177.07010	5.3
178.07793	6.1
179.05023	1.0
179.08517	4.5
180.05710	1.7
181.06511	3.7
181.10072	2.2
183.08069	0.9
186.19446	0.7
189.07045	4.1
190.07768	2.3
191.08594	4.3
192.05634	2.7
193.06459	4.8
194.05569	1.5
194.07269	22.0
195.08000	4.1
197.05881	1.3
198.06750	1.5
204.05725	4.5
205.06476	18.7
206.07249	7.0
207.04366	1.8
207.08063	9.6
208.05132	1.9
208.08714	1.9
209.06015	3.6
209.09631	8.5
210.06699	1.4
211.07492	2.4
218.07208	1.4
219.04434	1.1
219.07979	8.8
220.05151	4.2
221.05980	8.9
222.06741	30.4
223.07500	5.7
224.04803	0.8
224.08250	2.0
225.05450	1.7
226.06180	1.8
232.05238	4.8
233.05940	15.9
234.06647	6.7
235.03845	3.2
235.07506	14.2
236.04631	1.0
236.08295	5.0
237.05515	5.1
237.09079	21.1
238.06221	2.0
238.09599	0.9
239.07016	5.1
247.07617	5.3
248.04669	1.9
248.08348	0.8
249.05482	9.6
250.06244	37.8
251.03111	0.9
251.06981	10.9
252.04074	1.3
252.07848	6.2
253.05083	1.5
253.08461	2.7
254.05675	2.0
254.09464	1.0
261.05481	5.0
262.06274	4.1
263.03638	1.2
263.07010	13.5
263.22833	1.0
264.03925	0.9
264.05103	0.9
264.07794	8.1
265.05084	4.3
265.08572	53.4
266.05591	1.9
266.09070	4.7
267.06516	5.1
267.10049	3.2
268.07257	0.8
269.08148	1.0
275.06985	2.7
277.04953	6.3
277.08200	1.3
278.05753	7.6
279.06567	7.8
280.07321	6.6
281.04562	0.7
281.07990	2.9
282.05396	1.0
282.08755	2.1
290.05475	1.0
291.06512	16.7
292.07217	11.3
293.04922	3.2
293.08051	95.2
294.05072	2.0
294.08383	10.1
295.05942	3.8
295.09583	7.7
297.07526	2.5
297.10928	1.3
305.08002	2.2
306.08804	3.2
307.05829	2.3
308.06763	7.2
309.07477	11.3
310.04980	1.2
310.08261	4.3
311.05518	0.8
323.09125	32.5
324.09796	7.0
325.06961	5.3
325.10666	5.4
326.07803	1.3
340.09433	7.5
341.09863	1.7
355.11731	100.0
356.12106	11.9
356.16129	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
55.05502	0.6
57.07064	0.2
59.04994	0.5
59.18844	0.2
67.05486	0.2
68.99792	0.3
69.07056	0.5
69.26506	1.6
70.06584	0.3
71.04961	0.2
75.04479	0.4
79.05489	0.3
81.07049	0.5
85.02921	0.3
88.07607	0.3
91.05495	0.3
93.07056	0.4
95.08602	0.4
99.04462	2.5
105.07045	0.2
109.10146	0.3
114.20849	0.2
119.08565	0.4
121.10148	0.4
127.03889	0.3
128.06282	0.2
129.07065	0.2
131.08583	0.2
137.05974	0.2
141.06953	0.3
142.64948	0.2
143.08466	0.3
145.06491	0.3
145.10158	0.4
152.06244	0.8
153.06995	0.6
154.07802	0.4
155.08542	0.3
157.06488	0.3
158.07248	0.4
159.08005	0.6
165.06984	2.2
166.07826	1.3
167.07106	0.2
167.08539	0.7
168.05702	0.6
169.06522	0.4
170.07253	0.2
171.07956	0.4
173.09634	1.4
175.07561	0.3
176.06253	0.9
177.06920	1.1
178.07742	1.8
179.04936	0.3
179.08559	1.9
180.05743	0.3
180.09302	0.6
181.06453	1.4
181.10135	1.4
182.07253	0.8
183.04477	0.3
183.08035	0.9
184.05228	0.3
185.06012	0.6
187.07509	0.2
189.07054	1.1
190.07770	0.9
191.08545	2.2
192.05598	0.2
192.09351	1.2
193.06471	0.9
193.10057	1.5
194.07246	4.7
194.10707	0.3
195.04402	0.3
195.08029	3.0
195.11674	0.3
196.05206	0.8
196.08719	1.0
197.05952	1.0
197.09514	1.1
198.06680	0.9
199.07526	0.5
200.08340	0.2
201.09138	0.3
202.07756	0.6
202.09679	0.5
203.08582	1.4
204.05693	0.7
204.09351	0.7
205.06471	4.2
205.08289	0.4
205.10201	1.2
206.07184	1.6
206.10858	0.5
207.04402	0.4
207.07988	2.5
207.11638	1.2
208.05223	0.7
208.08957	1.0
209.06009	1.3
209.09592	6.8
210.06767	2.8
210.10265	1.0
211.07542	2.0
211.11162	0.7
212.08301	0.5
213.05458	0.8
213.09081	0.5
213.12639	0.4
214.06265	0.4
217.06487	0.4
217.10092	0.3
218.07321	0.4
219.08032	4.4
219.11494	0.5
220.05231	0.7
220.08765	4.1
221.06053	2.0
221.09547	3.9
222.06741	5.8
222.10187	1.4
223.03951	0.4
223.07542	3.8
223.11089	1.9
224.04762	0.4
224.08344	1.1
224.11810	1.1
225.05589	1.0
225.09059	3.0
225.12636	0.5
226.06229	1.4
226.09772	1.4
227.06987	2.0
227.10577	0.8
228.07767	0.4
229.04974	0.3
229.08537	0.4
231.08054	1.1
232.05225	0.7
232.08841	0.8
233.05966	2.4
233.09563	1.9
234.06758	2.2
234.10316	2.1
235.03925	0.5
235.07523	4.3
235.11119	5.0
235.13387	0.4
236.04565	0.4
236.08322	2.4
236.11887	1.6
237.05637	1.6
237.09074	18.5
237.12451	1.1
238.06253	2.1
238.09741	3.0
239.06978	2.8
239.10635	2.2
239.14267	0.4
240.07721	0.9
240.11400	0.3
241.04956	3.8
241.08525	1.5
241.12257	2.0
242.05717	2.1
243.06517	1.1
243.10208	0.3
245.09608	0.4
247.07523	3.1
247.11159	0.5
248.08313	5.3
249.05431	1.1
249.09081	6.2
249.12749	0.7
250.06262	7.4
250.09827	2.9
251.03500	0.4
251.06996	3.9
251.10670	8.2
252.04243	0.4
252.07774	1.9
252.11420	7.7
253.04976	0.5
253.08586	5.8
253.12228	2.6
254.05724	0.7
254.09349	3.8
255.06523	3.4
255.10114	2.6
255.13934	0.3
256.07281	3.3
257.07993	3.2
258.08905	0.4
259.07443	0.3
260.08237	0.4
261.05649	1.0
261.09055	1.4
262.06311	0.8
262.09872	2.9
263.07074	2.8
263.10672	11.0
264.07797	2.6
264.11417	3.0
265.05219	1.3
265.08585	25.8
265.12109	3.3
266.05774	0.9
266.09235	4.8
266.12988	1.2
267.06561	2.6
267.10156	4.4
267.13770	3.2
268.04114	0.2
268.07233	0.8
268.10474	0.3
269.04471	0.6
269.08130	1.0
269.11737	6.4
270.08823	1.4
270.11957	0.5
271.09573	3.0
272.06879	0.4
273.07391	0.4
275.07028	0.8
275.10638	0.5
276.07782	1.2
277.04999	1.3
277.08575	4.4
277.12195	1.7
278.05725	1.6
278.09341	1.8
278.12552	0.3
279.06558	3.1
279.10162	6.6
279.13629	0.8
280.07431	1.3
280.10898	16.3
281.08127	3.1
281.11691	12.4
282.05582	0.3
282.08862	3.2
282.12262	1.3
283.06244	0.5
283.09583	1.5
283.13297	0.9
284.06775	2.4
284.10059	0.3
284.13934	0.6
285.07568	8.6
285.11075	0.9
286.08493	0.3
287.08978	0.4
290.06149	0.3
290.09369	0.9
291.06522	2.5
291.10132	6.7
292.07227	2.1
292.10867	2.4
293.04807	0.8
293.08066	20.6
293.11652	4.2
294.05164	0.9
294.08707	4.2
294.12476	2.5
295.06168	0.7
295.09747	3.3
295.13217	24.1
296.06766	0.4
296.10434	0.3
296.13895	5.4
297.07593	0.9
297.11185	12.4
297.14645	0.7
298.08289	1.8
298.11713	1.5
299.09119	5.9
299.12210	0.2
300.09937	2.3
305.08444	0.4
305.11673	1.1
306.08881	0.5
306.12585	0.7
307.09601	2.3
307.13239	0.9
308.06781	2.0
308.10403	6.6
309.07513	2.2
309.11176	11.2
309.14853	4.1
310.04922	0.2
310.08215	1.0
310.11865	1.7
310.15057	0.4
311.05542	0.4
311.09064	1.2
311.12778	0.8
312.13504	9.9
313.10706	1.1
313.14172	2.2
314.11444	4.5
322.12003	1.0
323.09103	5.7
323.12784	22.8
324.09738	1.6
324.13397	9.8
325.06912	0.8
325.10669	5.6
325.14343	3.0
326.07687	0.5
326.11331	1.2
326.14755	0.3
327.15863	13.4
328.16241	1.1
337.14310	8.5
337.18326	0.5
338.14728	0.6
340.09262	1.4
340.13043	5.5
341.10190	0.4
341.13791	11.6
354.33539	0.3
355.11606	14.0
355.15402	100.0
356.12317	2.0
356.16046	43.3
356.35199	1.8
366.00934	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1537
Annotation	6'-Hydroxygaruganin V
Peak:m/z	Relative Intensity
55.05492	0.3
59.05001	0.4
68.99799	0.4
69.07057	0.9
70.81290	1.0
81.07036	0.4
81.94408	0.3
85.02894	0.8
95.08596	0.5
121.10024	0.4
130.93069	0.4
139.05441	0.4
153.07013	0.7
155.08357	0.4
158.07285	0.5
159.08086	0.8
165.07050	1.3
166.07687	0.7
167.08528	0.5
171.08058	0.4
173.09613	1.2
178.07727	1.0
179.08540	1.2
181.06459	1.5
181.10120	1.1
182.07222	0.8
183.04521	0.4
183.08000	0.3
185.05936	0.8
190.07755	0.5
191.08562	1.6
192.09323	1.1
193.06418	0.6
193.10115	1.0
194.07291	1.0
195.08041	2.4
196.05263	0.8
196.08842	0.5
197.05997	1.0
199.07542	0.6
201.09102	2.3
202.07870	0.8
202.09891	2.7
203.08522	0.8
204.09302	0.4
205.06473	1.1
205.10175	0.6
206.07246	0.9
207.08086	1.5
207.11710	1.3
208.08800	1.6
209.05980	1.2
209.09596	4.3
210.06726	3.4
210.10199	0.5
211.04112	0.4
211.07457	2.7
211.11179	1.0
212.08229	0.8
213.05417	1.9
213.09044	0.6
214.06178	0.5
217.10095	0.9
218.07277	0.6
219.08073	4.0
220.08867	4.6
221.06120	0.6
221.09615	4.0
222.06743	1.3
222.10359	1.1
223.07498	1.6
223.11090	1.8
224.04756	0.7
224.08296	1.4
224.11925	0.9
225.05571	1.3
225.08943	1.9
225.12640	0.4
226.06247	1.4
226.09822	1.1
227.06999	1.6
227.10728	0.5
228.07751	0.8
231.08022	1.3
232.08806	0.8
233.05914	1.0
233.09538	2.9
234.06738	3.2
234.10327	1.7
235.07556	3.2
235.11159	6.8
236.08284	1.4
236.11827	1.2
237.05447	1.4
237.09096	10.4
237.12723	0.5
238.06157	1.6
238.09760	2.9
239.07019	2.9
239.10675	1.8
240.07762	1.8
241.05023	2.8
241.08568	0.9
241.12242	0.8
242.05775	1.8
242.09412	0.5
243.06407	0.8
245.09506	0.6
247.07570	3.8
248.08289	6.7
249.05376	0.6
249.09097	10.8
250.06207	2.2
250.09863	2.6
251.06950	2.8
251.10677	5.7
252.04185	0.7
252.07736	1.4
252.11403	4.9
253.04956	0.5
253.06229	0.4
253.08504	2.2
253.12155	2.7
254.09291	2.6
255.06479	1.2
255.10074	1.3
256.07291	5.0
257.04721	0.4
257.07953	2.1
258.08810	0.7
261.09119	2.5
262.09900	2.5
263.07068	2.3
263.10657	11.6
264.07800	1.8
264.11395	4.4
265.08606	20.8
265.12018	2.6
266.05856	1.3
266.09323	5.5
266.13019	1.2
267.06540	4.9
267.10107	2.4
267.13791	2.2
268.07193	0.6
269.04459	1.6
269.08057	0.7
269.11639	2.5
270.05170	0.7
270.08826	0.6
271.09610	3.5
275.07169	0.6
276.07739	0.6
277.08597	18.5
277.11826	1.0
278.06104	0.7
278.09244	4.3
279.06641	1.7
279.10150	7.6
280.07349	1.6
280.10883	16.4
281.08081	2.0
281.11664	8.1
282.08862	4.7
282.12283	0.9
283.09579	1.3
284.06808	5.8
285.07590	4.8
287.09100	0.7
291.10071	3.8
292.07611	0.5
292.10870	3.3
293.08078	7.3
293.11661	4.0
294.08838	4.4
294.12521	2.3
295.09695	2.2
295.13232	16.3
296.13748	2.4
297.11185	6.8
298.11734	1.3
299.09131	4.8
300.09833	1.2
305.11810	0.4
306.12399	0.6
307.09714	3.0
307.12976	0.7
308.10397	5.2
308.13812	0.6
309.11191	17.7
310.08234	1.1
310.11865	2.2
311.08954	0.9
311.12741	1.1
312.13522	2.7
313.10635	0.7
313.13873	0.5
314.11462	2.7
322.11923	2.4
323.12738	13.8
324.09592	0.5
324.13477	10.0
325.10675	6.6
325.14270	2.9
326.11307	1.2
327.15918	3.0
337.14368	0.5
340.13025	9.0
341.13803	7.7
355.15381	100.0
356.16043	27.9
356.20764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1538
Annotation	6'-Hydroxygaruganin V
Peak:m/z	Relative Intensity
55.05535	0.2
57.07058	0.2
59.05001	0.2
67.05505	0.3
67.09840	0.2
68.99759	0.2
69.03948	1.8
69.07047	0.3
81.07079	0.4
85.02887	0.6
91.05479	0.4
93.07069	0.5
95.08596	0.6
105.07017	0.4
107.08596	0.5
109.10160	0.5
116.83890	0.2
117.07024	0.2
119.08531	0.2
121.10157	0.3
129.07022	0.3
131.08531	0.4
133.10156	0.3
143.08539	0.4
145.10110	0.4
145.89494	0.2
147.11635	0.2
149.13324	0.2
152.06282	0.3
153.07028	0.4
154.07793	0.2
157.06508	0.3
157.10068	0.2
158.07256	0.4
159.08054	0.6
165.06970	0.9
166.07753	0.4
167.07141	0.2
167.08534	0.5
168.05798	0.3
169.06477	0.4
169.10147	0.4
173.09561	0.9
177.06967	0.3
178.07813	0.6
179.08597	0.8
181.06479	0.8
181.10081	1.0
182.07307	0.3
183.08072	0.5
185.06094	0.2
187.07568	0.3
189.07028	0.2
190.07817	0.2
191.08496	1.1
192.09293	1.2
193.10159	0.9
194.07281	0.7
195.08020	1.2
195.11787	0.3
196.05272	0.6
196.08739	0.3
197.06035	1.0
197.09689	0.3
198.06721	0.3
199.07497	0.3
201.09064	2.5
201.16399	0.2
202.07828	0.7
202.09888	2.9
203.08577	0.7
204.09177	0.2
205.06471	1.1
205.10149	0.7
206.07271	0.6
206.10942	0.3
207.08092	1.0
207.11661	0.7
208.05362	0.3
208.08804	0.7
209.06088	0.7
209.09610	3.1
210.06726	2.3
210.10249	0.7
211.03940	0.3
211.07539	1.9
211.11072	0.3
212.08253	0.5
213.05420	1.2
213.09029	0.3
217.10120	0.4
218.07317	0.7
219.08101	2.6
220.08829	3.4
221.05988	0.6
221.09599	2.2
222.06827	1.1
222.10370	0.7
223.07574	1.4
223.11157	1.1
224.04750	0.4
224.08276	1.1
225.05476	0.8
225.09038	1.4
226.06258	0.7
226.09880	0.7
227.07051	1.1
228.07797	0.7
231.08008	0.9
232.08789	0.7
233.06003	0.5
233.09587	1.9
234.06760	2.8
234.10362	1.0
235.07617	2.1
235.11169	5.0
236.08250	1.4
236.11922	0.7
237.05367	0.5
237.09087	7.6
237.12837	0.5
238.06313	1.4
238.09763	1.5
239.07048	2.0
239.10645	0.9
239.14131	0.2
240.07806	1.3
240.11441	0.3
241.05020	1.4
241.08592	0.9
241.12280	0.5
242.05650	0.7
243.06496	0.8
245.09727	0.4
246.10266	0.2
247.07565	2.7
248.08316	5.6
249.05269	0.4
249.09117	8.9
250.06288	1.7
250.09753	1.5
251.07019	2.3
251.10683	4.4
252.07794	0.8
252.11443	3.5
253.04678	0.3
253.08603	1.3
253.12190	1.2
254.09357	2.1
255.06569	0.6
255.10059	0.8
256.07361	1.9
257.04544	0.3
257.07999	1.0
258.08856	0.3
261.05280	0.2
261.06564	0.2
261.09125	2.0
262.06201	0.5
262.09995	1.4
263.07169	1.6
263.10687	9.9
264.07852	1.5
264.11389	3.8
265.08612	15.8
265.12100	1.5
266.06104	0.3
266.09311	3.5
266.12985	1.1
267.06732	1.7
267.09949	1.3
267.13733	2.1
268.07233	0.5
269.04474	0.6
269.08304	0.4
269.11716	1.5
270.08832	0.2
271.09689	2.1
271.12589	0.3
272.10333	0.3
275.06946	0.2
275.10632	0.2
276.07858	0.6
277.08600	14.4
277.11728	0.5
278.06030	0.3
278.09222	3.6
279.06601	1.3
279.10172	4.6
279.13287	0.3
280.07529	0.6
280.10916	12.9
281.08203	0.5
281.11615	4.0
282.08896	3.3
282.11990	0.3
283.09491	0.8
283.13095	0.2
284.06885	1.4
285.07718	0.4
285.11215	0.5
287.09085	0.4
290.09326	0.4
291.10120	2.4
292.07678	0.4
292.10971	2.3
293.08075	5.3
293.11664	2.0
294.08826	3.5
294.12512	1.8
295.06339	0.4
295.09766	1.0
295.13266	15.7
296.13846	2.2
297.11252	4.0
297.14484	0.3
298.11777	0.3
299.09177	2.2
300.09726	0.5
305.11703	0.3
306.12625	0.4
307.09723	1.7
308.07120	0.2
308.10410	3.1
308.13632	0.3
309.11197	13.0
310.08340	0.8
310.11752	1.1
311.09085	0.3
312.13678	0.9
313.10892	0.3
313.14417	0.2
322.12015	0.6
323.12772	13.9
324.13507	11.4
325.10681	4.8
325.14151	1.5
326.11411	0.4
327.15860	1.4
340.09000	0.4
340.13062	5.7
341.13565	0.8
355.15396	100.0
356.15863	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1538
Annotation	6'-Hydroxygaruganin V
Peak:m/z	Relative Intensity
50.57277	0.2
55.05503	0.4
57.07073	0.5
59.04988	0.2
67.05497	0.4
68.99791	0.2
69.03419	0.3
69.07064	0.6
69.21055	0.4
69.21452	0.9
71.08629	0.3
79.05477	0.5
81.07047	0.9
83.08613	0.4
85.02879	0.4
91.05480	0.4
93.07030	0.6
95.08614	0.7
97.10172	0.2
98.23331	0.4
98.91719	0.2
102.46736	0.2
105.07028	0.6
107.08579	0.4
109.10151	0.8
117.06975	0.2
119.08575	0.8
121.10114	0.2
123.11713	0.6
129.07001	0.3
131.08571	0.4
133.10133	0.4
135.11684	0.6
141.07106	0.2
142.07767	0.2
143.08549	0.3
145.10130	0.4
147.11629	0.3
153.06979	0.5
157.06505	0.3
157.10115	0.3
158.07230	0.3
159.08046	0.7
161.32288	0.2
165.07050	0.8
166.07809	0.4
167.07133	0.3
167.08588	0.7
169.06479	0.3
171.08047	0.3
173.09595	0.9
177.06889	0.2
178.07790	0.4
179.08548	0.8
181.06554	0.8
181.10143	0.8
182.07271	0.7
183.08046	0.6
185.05922	0.4
187.07599	0.4
189.07048	0.3
190.07816	0.4
191.08562	1.0
192.09331	1.0
193.06508	0.2
193.10121	1.0
194.07254	0.8
195.08080	1.2
195.11717	0.2
196.05243	0.5
196.08769	0.5
197.06006	0.5
197.09569	0.4
198.06668	0.3
199.07486	0.3
200.04707	0.3
201.09050	1.9
201.16393	0.2
202.07846	0.7
202.09903	3.1
203.08606	0.7
205.06377	0.9
205.10182	0.5
206.07253	0.8
206.11003	0.3
207.07965	0.9
207.11694	0.8
208.05511	0.2
208.08855	1.1
209.05934	0.6
209.09642	3.3
210.06758	2.7
210.10260	0.6
211.07539	2.0
211.11195	0.6
212.04730	0.2
212.08264	0.8
213.05437	1.4
213.09032	0.2
214.06190	0.4
217.10133	0.3
218.07329	0.5
219.08060	2.6
219.11644	0.3
220.08849	3.2
221.06042	0.5
221.09621	2.4
222.06746	0.9
222.10336	0.6
223.07556	1.4
223.11110	1.2
224.08284	1.0
224.12019	0.5
225.05458	0.8
225.09045	1.5
225.12628	0.4
226.06285	1.0
226.09900	0.8
227.07097	1.0
228.07861	0.6
231.08035	1.0
232.08774	0.6
233.05910	0.7
233.09625	1.5
234.06743	2.4
234.10272	0.9
235.07584	2.2
235.11151	4.7
236.08388	1.1
236.11911	1.0
237.05417	0.7
237.09088	8.3
237.12814	0.5
238.06342	1.2
238.09804	1.7
239.07101	1.8
239.10587	1.5
240.07805	1.7
240.11539	0.3
241.04968	1.8
241.08492	0.5
241.12279	0.4
242.05724	0.8
243.06512	0.7
245.09642	0.4
247.07526	2.7
248.08318	5.5
249.09096	9.3
250.06271	1.6
250.09747	1.9
251.07004	2.2
251.10677	3.7
252.07686	0.8
252.11455	3.6
253.04694	0.2
253.08632	1.6
253.12050	1.2
254.09296	2.6
255.06577	0.8
255.10089	0.7
256.07251	2.1
257.08087	1.7
258.08859	0.5
261.05621	0.3
261.09140	2.0
262.06168	0.3
262.09885	2.1
263.07123	1.5
263.10654	10.6
264.07825	1.4
264.11417	3.9
265.08603	16.9
265.12079	1.7
266.05875	0.6
266.09296	3.9
266.12985	0.8
267.06686	1.3
267.10117	1.3
267.13803	2.6
268.07248	0.4
268.11118	0.2
269.04532	0.9
269.07712	0.3
269.11774	1.2
270.05209	0.3
271.09644	2.3
271.12558	0.3
272.06714	0.3
272.10092	0.3
275.07098	0.5
275.10300	0.3
276.07742	0.9
277.08600	15.5
277.11835	0.7
278.09247	4.0
279.06616	1.1
279.10162	5.0
280.07535	0.4
280.10916	13.8
281.08221	0.5
281.11612	5.3
282.08875	3.1
282.12009	0.5
283.09525	0.7
284.06757	2.5
285.07538	1.6
285.11148	0.5
287.09036	0.5
290.09576	0.4
291.10162	3.1
292.07666	0.3
292.10852	2.8
293.08066	6.0
293.11670	2.7
294.08820	3.1
294.12454	2.1
295.06345	0.3
295.09756	1.3
295.13257	15.7
296.13840	2.8
297.11197	4.6
297.14310	0.3
298.11728	0.3
299.09171	2.3
300.09930	0.6
305.11679	0.3
306.12323	0.3
307.09781	1.6
307.12991	0.3
308.10397	3.5
309.11182	15.5
310.08310	0.7
310.11734	1.3
311.09149	0.4
311.12769	0.5
312.13483	1.5
313.14063	0.3
314.11380	0.5
322.12039	0.8
323.12762	12.3
324.13516	10.6
325.10678	5.6
325.14206	1.6
326.11145	0.4
327.15894	1.4
328.16422	0.2
340.13046	6.2
341.13788	2.1
355.15384	100.0
356.15915	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1536
Annotation	6'-Hydroxygaruganin V
Peak:m/z	Relative Intensity
55.01870	0.3
69.07069	0.4
69.69731	1.1
85.02899	0.6
86.75407	0.2
91.05474	0.3
93.07001	0.3
98.22624	0.2
98.23193	0.4
105.07018	0.3
125.05975	0.4
126.04761	0.2
131.08551	0.2
153.05385	0.3
153.07016	0.4
155.08537	0.3
159.08089	0.7
165.07027	0.9
167.07117	0.3
167.08514	0.4
168.05748	0.2
169.06483	0.3
171.08015	0.5
173.09619	1.0
178.07785	0.4
178.28848	0.2
179.08531	0.6
181.06436	0.5
181.10107	0.5
182.07285	0.6
183.08061	0.6
185.05954	0.3
187.07536	0.2
189.06880	0.3
190.07869	0.5
191.08556	0.8
192.09361	1.0
193.10069	0.8
194.07301	0.7
195.08038	1.1
195.11661	0.2
196.05162	0.4
196.08775	0.6
197.06012	0.9
197.09630	0.4
198.06767	0.5
199.07573	0.3
201.09102	2.1
202.07895	0.6
202.09895	3.0
203.08517	0.6
204.09395	0.2
205.06554	0.9
205.10138	0.5
206.07263	0.4
207.08119	0.7
207.11688	0.6
208.08801	0.6
209.06018	0.6
209.09634	3.0
210.06728	2.1
210.10310	0.6
211.07500	1.8
212.08293	0.7
213.05449	0.7
217.10172	0.5
219.08057	2.3
220.08829	2.8
221.05974	0.5
221.09596	2.8
222.06734	0.9
222.10358	0.6
223.07545	1.3
223.11082	1.0
224.04752	0.3
224.08295	0.8
224.11920	0.6
225.05443	0.6
225.09036	1.1
226.06209	0.8
226.09843	0.8
227.07047	0.5
228.07751	0.3
231.08086	0.6
232.08804	0.5
233.05969	0.7
233.09569	1.6
234.06808	2.3
234.10359	1.2
235.07556	1.9
235.11147	4.8
236.08290	0.8
236.11928	0.9
237.05530	0.4
237.09105	7.8
237.12753	0.6
238.06279	1.1
238.09753	1.4
239.07048	1.6
239.10667	0.9
240.07761	1.8
241.05026	1.4
241.08585	0.6
242.05617	0.5
243.06570	0.7
245.09613	0.7
246.10367	0.3
247.07521	2.8
248.08292	5.4
249.09113	8.5
250.06348	1.8
250.09732	1.7
251.06964	1.6
251.10655	4.3
252.07681	0.7
252.11430	3.9
253.08698	1.7
253.12088	1.6
254.05881	0.2
254.09366	2.3
255.06586	0.7
255.10107	0.6
256.07324	2.5
257.08011	0.8
258.08798	0.6
261.05295	0.3
261.06555	0.2
261.09137	1.8
262.06207	0.4
262.09875	1.5
263.07086	1.5
263.10672	10.4
263.13461	0.5
264.07861	1.1
264.11404	3.6
265.08597	16.0
265.12015	1.4
266.09204	3.3
266.12973	0.9
267.06836	1.7
267.10065	1.6
267.13654	2.3
268.11078	0.2
268.13995	0.3
269.04373	0.4
269.08572	0.3
269.11758	1.1
270.04886	0.2
270.08969	0.4
271.09616	1.8
272.06900	0.3
272.10016	0.2
275.07083	0.3
276.07816	0.4
277.08591	16.6
277.11768	0.6
278.09244	3.2
279.06635	0.9
279.10126	5.3
280.10934	14.5
281.08221	0.6
281.11588	5.5
282.08878	3.4
282.11951	0.4
283.09647	0.7
284.06760	1.8
284.10028	0.4
285.07458	0.6
285.11188	0.6
287.09094	0.5
290.09280	0.3
291.10150	2.2
292.07617	0.3
292.10892	3.0
293.08057	5.4
293.11652	2.6
294.08780	3.3
294.12476	2.2
295.06250	0.4
295.09738	1.2
295.13254	14.7
296.10431	0.4
296.13776	2.4
297.11215	4.0
298.08221	0.3
298.11682	0.6
299.09177	2.1
299.12305	0.3
306.12463	0.4
307.09653	1.6
308.10349	3.0
309.11182	14.0
310.08261	0.6
310.11707	1.4
311.09210	0.4
311.12674	0.5
312.13516	1.0
313.10715	0.4
313.14066	0.3
322.12024	0.6
323.12762	13.6
324.13498	11.3
325.10681	5.2
325.14166	1.2
326.11014	0.5
327.15854	1.1
340.13065	4.3
341.13803	1.0
355.15384	100.0
356.15857	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1539
Annotation	6'-Hydroxygaruganin V
Peak:m/z	Relative Intensity
55.01868	0.3
55.05498	0.2
59.22216	0.1
66.41777	0.2
68.99788	0.4
69.07056	0.4
69.98209	0.6
73.44484	0.2
76.37730	0.2
80.64185	0.2
81.07040	0.5
85.02892	0.7
91.05464	0.3
93.07038	0.5
95.08616	0.4
102.82250	0.2
105.07022	0.3
107.08558	0.1
109.10091	0.2
115.05452	0.2
121.10151	0.2
130.07875	0.2
131.08539	0.2
133.06459	0.2
141.06943	0.2
143.08646	0.2
145.06435	0.2
145.10173	0.2
152.06264	0.4
153.06984	0.5
157.06407	0.2
158.07207	0.2
159.08037	0.7
159.11705	0.2
165.07011	0.7
166.07689	0.3
167.07155	0.2
167.08542	0.5
168.05698	0.3
169.06438	0.3
171.08005	0.3
173.09653	1.0
174.57759	0.2
177.06985	0.2
178.07787	0.6
179.08528	0.7
180.05751	0.2
180.09294	0.2
181.06467	0.7
181.10072	0.7
182.07257	0.8
183.07930	0.4
183.11737	0.2
185.06000	0.4
189.07066	0.4
189.16458	0.2
190.07805	0.4
191.08569	1.1
192.09279	1.3
193.06520	0.4
193.10158	1.0
194.07269	0.6
194.10860	0.2
195.08041	1.4
195.11700	0.2
196.05243	0.7
196.08897	0.3
197.05951	1.0
197.09619	0.5
198.06744	0.4
199.07536	0.3
199.14987	0.2
201.09102	2.1
202.07774	0.6
202.09882	2.7
202.84386	0.2
203.08620	0.8
204.09390	0.2
205.06425	1.1
205.10179	0.5
206.07172	0.6
206.10861	0.3
207.07977	1.0
207.11699	0.7
208.05258	0.2
208.08820	0.7
209.06035	0.4
209.09627	3.4
210.06731	2.7
210.10187	0.4
211.04041	0.2
211.07545	1.8
211.11066	0.4
212.04695	0.2
212.08293	0.5
213.05444	1.0
213.09023	0.4
214.06236	0.3
217.10086	0.4
218.07321	0.4
218.10419	0.2
219.06126	0.2
219.08064	3.1
220.08830	3.2
221.06195	0.7
221.09637	2.3
222.06787	1.3
222.10374	0.5
223.04066	0.2
223.07533	1.5
223.11101	1.3
224.04674	0.3
224.08351	0.9
224.11862	0.7
225.05418	0.7
225.09010	1.4
225.12566	0.2
226.06238	1.0
226.09900	0.7
227.07147	0.9
227.10690	0.3
228.07755	0.7
229.04922	0.2
231.08005	0.9
232.08812	0.6
233.06026	0.9
233.09604	1.8
234.06783	2.4
234.10332	1.0
235.07556	2.3
235.11156	4.9
236.08305	1.1
236.11850	1.0
237.05368	0.5
237.09082	8.2
237.12871	0.4
238.06314	1.1
238.09825	1.7
239.07059	1.6
239.10649	1.4
240.07718	1.8
240.11259	0.3
241.04947	1.3
241.08569	0.7
242.05734	0.6
243.06442	0.8
245.09650	0.4
247.07539	2.6
248.08299	6.3
249.09102	9.9
250.06268	2.0
250.09732	1.5
251.07039	2.4
251.10661	5.0
252.07800	0.6
252.11430	3.7
253.08643	1.7
253.12175	1.3
254.05736	0.3
254.06577	0.3
254.09323	2.3
255.06537	0.6
255.10069	0.6
256.07257	2.6
257.04565	0.3
257.08051	0.7
257.11646	0.2
258.08871	0.3
261.05295	0.4
261.09113	2.2
262.06281	0.5
262.09863	1.8
263.07095	1.7
263.10672	10.8
264.07843	1.1
264.11389	4.0
265.08600	16.6
265.12045	1.5
266.06067	0.2
266.09265	3.7
266.12961	1.0
267.06625	1.5
267.10376	1.4
267.13708	2.3
268.07275	0.5
268.10666	0.2
269.04422	0.4
269.08206	0.3
269.11707	1.2
270.08923	0.4
271.06403	0.2
271.09607	2.1
272.06839	0.3
272.10034	0.2
275.07062	0.6
275.10672	0.3
276.07791	0.8
277.08597	16.8
277.11804	0.7
278.09253	3.4
278.12396	0.3
279.06540	1.3
279.10156	4.9
279.13321	0.3
280.07526	0.5
280.10919	13.8
281.08209	0.5
281.11603	4.6
282.08868	3.6
282.11975	0.5
283.06421	0.2
283.09457	0.9
284.06775	1.7
285.07498	0.6
285.11166	0.5
287.09180	0.4
291.10089	2.3
292.07581	0.3
292.10794	2.5
293.08081	5.3
293.11658	2.2
294.06332	0.1
294.08813	4.1
294.12439	2.0
295.06107	0.4
295.09729	1.1
295.13260	15.0
296.06714	0.2
296.10492	0.3
296.13828	2.2
297.07916	0.4
297.11200	4.4
297.14529	0.3
298.11862	0.5
299.09125	1.9
300.09985	0.3
305.11520	0.3
306.12213	0.4
307.09726	1.4
308.10452	2.9
309.11194	14.9
310.08279	0.7
310.11667	1.3
311.09302	0.4
311.12524	0.3
312.13547	1.1
313.10718	0.4
313.14090	0.3
321.11295	0.4
322.11938	0.6
323.12753	14.2
324.13501	10.9
325.10675	4.7
325.14182	1.4
326.11218	0.6
327.15875	1.3
340.13089	4.7
341.13834	0.8
355.15384	100.0
356.15851	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1538
Annotation	(E,E)-8-(7-Hydroxy-3,7-dimethylocta-2,5-dienyloxy) psoralen
Peak:m/z	Relative Intensity
50.36753	1.1
50.57621	1.0
51.10234	1.2
53.03945	1.9
53.95155	1.0
55.01871	4.1
55.05515	9.9
59.47305	1.4
63.39141	1.1
64.36976	1.1
65.80424	1.0
67.05502	15.7
69.03416	2.8
69.07059	6.2
71.05004	1.7
71.30415	1.4
72.47942	1.1
79.05492	14.4
81.03411	10.4
81.07060	17.2
83.04991	2.7
83.08624	3.7
84.37127	1.1
85.06548	3.9
89.03937	1.8
91.05471	15.0
93.07036	11.5
95.04971	4.1
95.08598	8.4
96.63459	1.2
97.06535	5.3
97.10181	4.5
103.05461	2.7
105.07037	9.9
107.04955	1.9
107.08595	5.0
109.06506	2.0
109.10148	9.6
111.08134	1.1
115.05453	10.9
117.06998	2.7
119.04997	1.2
119.08569	12.3
121.06532	1.3
121.10153	6.1
123.08098	1.5
123.11716	2.7
125.09600	2.1
128.06242	2.7
129.06978	5.6
131.04956	2.9
131.08568	3.8
133.10144	7.2
135.08072	2.6
135.11708	3.4
137.05992	2.4
137.09634	3.6
139.05437	2.3
141.06993	21.9
143.04955	5.9
143.08554	1.3
145.06470	2.7
145.10104	1.2
147.04459	4.2
147.08011	1.4
147.11691	4.8
149.09653	2.4
149.13232	2.3
151.11255	1.9
152.06200	8.3
153.07034	5.5
155.04942	1.7
157.06502	7.7
157.10107	1.7
159.04446	5.0
159.11662	1.8
161.02391	1.4
161.06017	2.0
163.03934	7.9
165.07014	3.1
165.12743	1.8
167.04939	1.2
167.08499	1.6
168.05737	1.4
169.06482	10.5
171.04388	12.5
171.08000	1.6
173.02383	3.8
173.05975	4.2
175.03876	8.2
175.11215	1.9
179.04967	3.7
179.08542	1.5
180.05750	2.5
181.06451	5.7
183.04417	2.5
183.08022	2.0
185.05957	7.0
187.03894	8.6
189.01860	3.3
193.05014	1.7
193.06577	2.1
193.12202	2.0
195.08060	2.5
197.05980	37.8
198.06549	4.5
199.03903	100.0
200.04202	5.5
201.05457	7.0
205.06560	2.6
207.02846	1.9
207.08124	2.0
208.05234	2.7
209.05998	2.6
211.07498	5.6
213.05475	17.4
215.03479	2.1
215.07146	3.5
217.04970	17.3
221.06004	2.4
223.07584	2.8
225.05458	50.9
225.08951	1.8
226.06036	5.2
227.06935	7.1
229.04977	2.4
235.07494	2.7
237.05527	3.7
237.09151	1.3
239.07021	16.2
241.08556	2.3
249.05565	1.8
249.09138	1.6
251.07040	7.3
253.08501	6.1
267.13898	7.0
277.08591	2.5
291.10455	1.3
291.13721	3.2
301.12228	8.2
309.14890	4.4
311.12778	2.6
311.16104	1.3
319.13254	28.1
320.13531	1.7
327.15952	2.1
337.14319	64.9
338.14719	5.5
340.12958	1.2
355.11493	3.4
355.15256	14.7
355.22531	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61787	0.1
51.02376	0.2
53.03957	1.4
55.01863	0.5
55.05513	0.8
65.03926	0.9
65.21420	0.1
66.04718	1.5
67.05505	1.4
68.99799	0.6
69.02343	0.2
69.02734	1.2
69.03423	0.6
69.07062	0.5
69.54373	0.1
77.03928	0.7
78.04716	0.1
79.01871	0.2
79.05495	5.4
81.03417	2.1
81.07059	2.8
82.04213	0.1
83.04967	0.3
83.08611	0.3
86.75234	0.1
90.50476	0.1
91.05479	1.4
92.02621	0.4
93.07059	1.1
94.04188	2.7
95.01325	0.1
95.04974	1.9
95.08617	1.0
97.02885	0.1
97.06538	0.8
97.10165	0.2
98.03664	0.3
103.05463	0.1
105.03384	0.5
105.04524	0.8
105.07013	1.1
107.01305	0.2
107.04955	0.8
107.08582	0.6
109.02863	0.5
109.06512	2.3
109.10145	0.5
109.59742	0.1
111.00814	0.3
111.08049	0.2
111.77176	0.1
117.07021	0.3
119.08601	0.7
121.02853	0.9
121.10115	0.7
122.02827	0.3
122.03643	3.6
123.08009	0.2
123.11703	0.3
126.03142	0.8
129.06996	0.5
131.04910	0.4
131.08545	0.6
133.02855	0.2
133.10117	0.5
135.04440	0.8
135.11646	0.2
137.05974	1.1
139.03906	0.1
141.05453	0.4
143.08569	0.3
145.06441	0.3
145.10100	0.3
147.04355	0.3
147.11649	0.7
149.02345	15.1
149.05954	0.4
149.09668	0.3
149.13280	0.2
150.02678	0.5
151.07524	0.2
154.02698	0.2
155.07031	4.4
157.06487	0.3
157.10104	0.2
159.04401	0.6
159.08012	0.2
159.11705	0.1
161.02344	0.4
161.05957	0.2
163.03879	1.3
165.05472	100.0
166.05817	3.5
166.07193	0.2
169.06381	0.2
171.04420	0.3
173.02367	0.7
173.05934	0.2
173.09544	0.2
174.10413	0.2
175.07584	0.2
175.11220	0.2
181.06339	0.2
181.10088	0.2
185.05998	0.4
187.03896	0.4
187.07596	0.2
189.05452	0.2
189.09039	0.3
195.08125	0.3
197.06070	0.2
199.03897	0.3
199.07602	0.3
201.05473	0.3
205.12228	1.0
207.58429	0.1
209.09641	0.3
211.07489	0.3
213.05510	0.8
217.08568	0.2
218.09335	0.3
223.07509	0.2
227.07069	0.2
233.11723	1.2
237.09177	0.2
251.06816	0.2
263.10928	0.2
267.13757	1.5
279.10236	0.2
281.11676	0.2
283.13266	0.3
291.10016	0.2
293.11679	0.3
295.13242	0.3
297.11075	0.2
308.10364	0.2
309.11420	0.3
309.14783	0.4
311.12891	0.2
311.16333	0.3
322.11792	0.2
323.12668	0.3
324.13824	0.2
327.15683	0.3
329.62555	0.2
337.14307	0.6
355.11688	0.3
355.15381	4.0
355.26331	0.2
356.15771	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1539
Annotation	6'-Hydroxygaruganin V
Peak:m/z	Relative Intensity
53.84269	0.3
55.05501	0.6
57.07077	0.7
65.03915	0.4
67.05498	0.8
69.07050	0.4
79.05473	0.8
81.07053	1.0
85.02905	0.9
91.05462	0.6
91.57807	0.3
93.07059	0.9
95.04975	0.4
95.08604	1.0
105.07020	0.9
107.08576	0.7
109.06510	0.3
109.10148	1.3
117.07035	0.3
119.08580	0.8
121.10138	0.8
131.08598	0.4
133.10146	0.5
135.11700	0.7
141.06984	0.3
143.08618	0.5
145.10049	0.6
147.11697	0.5
153.06958	0.5
157.10097	0.4
159.08003	0.6
165.07065	1.1
167.08516	0.5
171.07967	0.5
173.09645	1.1
178.07718	0.7
179.08479	0.9
181.06488	1.0
181.10107	1.1
182.07269	0.4
183.08041	0.8
190.07863	0.4
191.08545	1.2
192.09366	1.4
193.06509	0.5
193.10123	0.9
194.07271	0.7
195.08044	1.2
196.05238	0.4
196.08920	0.4
197.06046	1.1
197.09668	0.6
198.06667	0.3
200.04613	0.4
201.09120	2.2
202.07964	0.5
202.09869	2.7
203.08513	0.8
205.06531	1.0
205.10150	0.7
206.07185	0.5
206.10985	0.4
207.08055	1.1
207.11639	0.7
208.08821	1.0
209.05957	0.6
209.09633	2.9
210.06781	2.8
211.07549	2.1
211.11244	0.4
212.08325	0.7
213.05452	0.7
218.07201	0.6
219.08020	2.7
220.08820	3.5
221.06018	0.6
221.09552	2.4
222.06735	1.2
222.10190	0.6
223.07570	1.4
223.11110	1.0
224.08292	1.1
224.11833	0.4
225.05359	0.8
225.09076	1.4
226.06204	0.9
226.09946	0.7
227.07011	1.0
227.10562	0.3
228.07759	0.7
231.08130	0.8
232.08846	0.4
233.05988	0.7
233.09647	1.2
234.06754	2.3
234.10283	0.9
235.07573	2.2
235.11183	4.3
236.08334	0.9
236.11955	0.8
237.05542	0.6
237.09106	8.7
237.12755	0.8
238.06232	1.3
238.09781	1.6
239.06963	1.6
239.10637	1.5
240.07776	1.8
241.04988	1.4
241.08574	0.6
242.05583	0.5
243.06523	0.7
245.09616	0.4
247.07535	2.5
248.08318	5.2
249.09090	10.0
250.06314	2.0
250.09636	1.7
251.06987	1.9
251.10732	3.7
252.07747	0.8
252.11423	3.8
253.08652	1.6
253.12074	1.0
254.09343	1.7
255.06541	0.6
255.10172	0.5
256.07333	2.7
257.07968	0.9
258.08969	0.7
261.05408	0.5
261.09192	1.6
262.06296	0.4
262.09872	2.0
263.07095	1.5
263.10657	10.0
264.07788	1.4
264.11365	4.1
265.08603	17.1
265.12021	1.4
266.06412	0.4
266.09271	3.4
266.12912	0.8
267.06436	0.9
267.10294	1.6
267.13809	2.4
268.07355	0.5
268.10519	0.5
269.04752	0.6
269.08054	0.7
269.11713	1.2
270.08658	0.3
271.09543	1.9
276.07773	0.5
277.08612	15.2
277.11771	0.7
278.09283	3.6
279.06540	1.2
279.10156	5.1
280.10950	14.2
281.08450	0.5
281.11569	4.7
282.08908	2.8
282.12158	0.5
283.09705	0.5
284.06732	1.4
285.07498	0.4
285.11041	0.5
287.09085	0.6
290.09579	0.4
291.10019	2.4
292.10898	1.8
293.08072	5.9
293.11716	2.3
294.08801	4.1
294.12418	1.6
295.09705	1.7
295.13232	14.7
296.13785	2.4
297.11218	3.9
298.11652	0.5
299.09149	2.5
307.09674	1.4
308.10440	3.4
309.07800	0.6
309.11176	13.0
310.08536	0.7
310.11789	1.2
311.12799	0.6
312.13519	0.9
313.10773	0.4
322.12079	0.6
323.09033	0.7
323.12787	12.6
324.13507	11.9
325.10651	4.9
325.14136	1.0
326.11353	0.5
327.15918	1.3
337.29044	0.4
340.13074	4.2
341.13693	1.1
354.41080	0.5
355.15387	100.0
356.15833	13.7
356.35165	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1536
Annotation	6'-Hydroxygaruganin V
Peak:m/z	Relative Intensity
56.60842	0.6
59.04995	0.6
65.30962	0.6
69.07066	0.7
69.23560	1.0
69.23968	3.7
71.40845	0.5
73.04734	1.1
74.80706	0.6
81.07037	0.8
82.82068	0.6
83.52161	0.6
95.08581	0.9
107.08566	0.6
117.50657	0.6
119.08575	0.8
121.10082	0.7
131.51422	0.6
142.86163	0.6
147.11627	0.6
159.08028	0.7
165.07011	0.9
167.08426	0.5
173.09663	1.5
181.10178	0.6
193.10124	0.9
195.08037	1.0
196.08757	0.9
197.05890	1.0
201.09131	2.7
202.09912	2.5
205.06554	1.0
205.10130	1.0
207.11722	0.9
209.09608	2.2
210.06700	1.1
210.10429	0.8
211.07486	2.4
213.05515	0.9
219.08047	2.5
220.08830	2.6
221.09648	2.0
222.06662	1.1
223.07579	1.5
223.11208	0.8
224.08257	0.8
225.09125	1.1
226.06242	0.9
227.07048	1.0
232.08736	0.6
233.05901	1.1
233.09645	1.7
234.06709	1.5
235.07588	1.6
235.11182	2.8
236.08398	0.7
236.11827	1.3
237.09099	5.2
238.09930	1.4
239.06985	0.7
240.07733	1.3
241.08559	1.1
245.09633	0.8
247.07671	2.3
248.08369	5.1
249.09146	8.1
250.06282	1.7
250.09790	1.5
251.07080	2.2
251.10583	3.6
252.07948	0.9
252.11380	3.2
253.08611	1.4
253.12035	0.8
254.09369	1.9
256.07333	2.0
257.07959	1.2
261.09039	1.6
262.09894	1.8
263.07156	1.5
263.10699	9.9
264.07654	1.2
264.11407	4.3
265.08569	15.4
265.11801	1.4
266.09314	2.9
266.12982	0.9
267.06570	1.3
267.10190	1.3
267.13776	2.3
269.11716	1.2
271.09506	1.3
277.08615	15.7
277.11847	1.2
278.09213	2.7
279.06860	1.2
279.10168	4.3
280.10953	12.7
281.11584	3.3
282.08890	1.8
283.09424	0.6
284.06760	1.5
285.07355	0.7
291.10287	2.8
292.10883	1.9
293.08057	5.4
293.11673	2.2
294.08853	3.1
294.12534	2.8
295.09912	1.3
295.13251	15.3
296.13660	2.9
297.11182	2.7
299.09286	3.3
307.09848	1.4
308.10339	2.5
309.11188	13.3
309.22797	0.6
310.08395	1.0
310.11612	1.4
312.13593	0.9
323.09015	1.4
323.12714	13.4
324.13504	12.1
325.10623	5.7
325.14270	1.6
327.15945	1.8
340.12955	6.5
341.13614	1.3
354.36639	1.2
355.15390	100.0
356.15839	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1538
Annotation	6'-Hydroxygaruganin V
Peak:m/z	Relative Intensity
53.03918	0.2
55.01862	0.3
55.05495	0.4
59.05013	0.3
62.44862	0.2
64.58629	0.2
65.88621	0.2
67.05477	0.7
69.07037	0.6
69.33868	1.3
74.70605	0.2
75.04469	0.3
77.20062	0.2
79.05451	0.6
81.07023	0.8
83.04976	0.2
89.82935	0.2
91.05447	0.4
93.07025	0.6
94.74155	0.2
95.04964	0.2
95.08549	0.3
97.10159	0.3
99.04416	0.6
105.07022	0.4
107.04944	0.4
107.08579	0.3
109.06483	0.3
109.10120	0.3
115.05407	0.3
117.06959	0.2
119.04904	0.2
119.08556	0.5
119.19997	0.2
121.06518	0.2
124.05165	0.4
127.03879	0.2
128.06190	0.3
129.06978	0.5
131.08632	0.2
133.10027	0.2
137.05954	0.3
139.03909	0.2
139.07539	1.1
139.11139	0.3
140.07880	0.2
141.06961	0.4
143.08522	0.2
145.06461	0.4
151.07433	0.3
152.06229	0.4
153.06960	0.5
154.07849	0.2
155.08478	0.2
157.06456	0.5
158.07304	0.2
159.08020	1.0
161.05956	0.3
163.03859	0.2
165.06996	1.4
166.07733	0.4
167.06993	1.6
167.08530	0.8
169.06473	0.6
171.04416	0.2
171.08066	0.3
172.08929	0.3
173.09599	0.6
177.05431	0.2
178.07753	0.6
179.08568	0.9
180.09351	0.2
181.06451	1.7
181.10101	0.8
182.07300	0.9
183.04292	0.2
183.08028	0.9
184.05098	0.4
185.05917	0.7
187.07513	0.8
188.08267	0.6
189.05455	0.4
189.06952	0.4
189.09038	0.2
190.07764	0.6
191.06998	0.3
191.08537	1.6
191.10129	0.3
192.09340	0.9
193.06534	0.5
193.10147	0.7
194.07224	1.0
194.10966	0.3
195.08022	1.6
195.11644	0.4
196.05186	0.6
196.08868	0.5
197.05988	1.0
197.09566	0.7
198.06732	0.5
199.03937	0.4
199.07452	0.7
200.04593	0.3
201.05412	0.6
201.09081	0.8
202.07758	0.9
202.09862	0.7
203.08562	0.8
203.10506	0.3
204.09325	0.4
205.06544	1.5
205.08372	0.3
205.10193	1.1
206.07198	0.5
206.10811	0.4
207.08026	1.5
207.11661	0.5
208.05267	0.3
208.08827	1.0
209.06018	1.1
209.09592	3.7
210.06712	2.0
210.10214	0.6
211.03978	0.2
211.07523	2.8
211.11136	0.5
212.04665	0.3
212.08275	0.6
213.05452	4.8
213.08966	0.4
214.06047	0.5
215.08691	0.3
217.10176	0.4
218.07268	0.5
218.10829	0.2
219.06163	0.2
219.08075	3.3
220.08830	3.2
221.06087	1.0
221.09555	3.3
222.06807	1.1
222.10298	0.9
223.03906	0.3
223.07545	1.9
223.11143	1.7
224.04677	0.5
224.08272	1.1
224.11891	0.7
225.05405	0.7
225.09044	1.8
225.12672	0.3
226.06206	1.1
226.09821	0.8
227.03447	0.3
227.06973	2.1
227.10550	0.3
228.07739	0.7
229.04973	0.3
231.08031	0.7
232.08913	0.9
233.06142	1.1
233.09659	2.2
234.06795	1.3
234.10379	1.8
235.07541	2.5
235.11168	4.6
236.04700	0.3
236.08228	1.4
236.11789	0.9
237.05594	1.2
237.09096	9.9
237.12796	0.5
238.06288	1.5
238.09802	2.3
238.13417	0.2
239.07018	3.3
239.10670	1.7
239.14357	0.2
240.07864	1.3
241.04968	1.5
241.08607	1.3
241.12210	2.2
242.05678	0.8
243.06396	0.9
245.09619	0.7
246.10213	0.3
247.07536	2.4
247.11157	0.6
248.08318	5.1
248.11108	0.3
248.11978	0.2
249.05475	0.4
249.09108	7.6
249.12730	0.5
250.06210	1.5
250.09845	2.5
251.07025	3.4
251.10637	4.6
252.04102	0.3
252.07813	1.2
252.11429	3.9
253.04857	0.4
253.05861	0.3
253.08591	2.7
253.12199	1.8
254.05766	0.3
254.09311	2.0
254.11867	0.3
254.12965	0.2
255.06451	1.2
255.10091	1.1
256.07330	2.0
256.10092	0.3
257.08072	1.4
258.08881	0.6
259.07455	0.2
260.08334	0.4
261.09109	1.3
262.06848	0.3
262.09842	2.2
263.07068	1.3
263.10654	8.4
264.07816	1.5
264.11337	2.9
265.08582	14.9
265.12149	2.5
266.05719	0.8
266.09290	4.6
266.12811	0.7
267.06531	2.1
267.10135	2.6
267.13773	3.4
268.07266	1.0
268.11011	0.3
269.04480	0.5
269.08063	1.1
269.11713	3.8
270.05493	0.2
270.08878	0.9
271.06882	0.3
271.09647	2.3
272.06793	0.3
275.06976	0.7
275.10437	0.3
276.07867	1.5
276.10910	0.3
277.05508	0.3
277.08569	4.8
277.12134	1.3
278.05786	0.5
278.09305	2.0
278.12955	0.5
279.06528	1.4
279.10135	5.5
279.13257	0.3
280.07495	0.5
280.10901	10.5
281.08115	1.6
281.11658	7.7
281.14566	0.2
282.08798	1.8
282.12286	0.7
283.06223	0.4
283.09567	1.9
283.12747	0.3
284.06833	2.8
284.09921	0.4
285.07550	2.0
285.11157	0.7
287.09058	0.6
288.85931	0.2
289.08707	0.2
290.09448	0.8
291.07141	0.2
291.10129	6.7
292.07443	0.5
292.10867	3.9
293.08041	7.0
293.11636	2.6
294.08762	3.1
294.12399	2.1
295.09781	2.2
295.13235	18.4
296.06860	0.4
296.10477	0.3
296.13870	3.8
297.07584	0.9
297.11203	9.1
297.14743	1.0
298.08203	0.6
298.11792	1.4
299.09158	3.7
300.09830	1.0
301.10672	0.2
305.11646	0.7
306.12491	1.1
307.09692	2.5
307.12930	0.3
308.10403	9.0
309.11237	11.0
309.14825	2.1
310.08295	1.0
310.11835	1.8
311.09091	1.5
311.12769	0.7
312.09814	0.5
312.13467	5.7
313.10648	1.2
313.14191	1.1
314.11453	0.6
319.22711	0.3
322.12030	1.7
323.12756	33.6
324.09503	0.5
324.13412	8.9
325.10675	6.5
325.14304	2.2
326.11279	1.3
326.14838	0.3
327.12518	0.4
327.15894	8.5
328.16245	0.7
337.14359	3.7
338.15100	1.0
339.12210	0.4
340.13025	6.4
341.13779	4.6
355.15378	100.0
356.15955	19.5
356.20630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.154
Annotation	6'-Hydroxygaruganin V
Peak:m/z	Relative Intensity
50.56571	0.3
51.35073	0.2
54.67919	0.2
55.05502	0.5
57.07076	0.7
59.58033	0.3
69.07056	0.9
69.09379	1.3
69.09803	0.8
75.04480	0.4
79.05495	0.4
81.07075	0.5
91.05475	0.7
93.07032	0.5
95.08621	0.5
105.07010	0.6
113.05997	0.3
119.08611	0.4
121.10131	0.4
129.06985	0.3
130.07726	0.3
131.08554	0.5
133.06436	0.3
137.05983	0.2
138.56821	0.2
139.07542	0.5
141.07002	0.3
143.08559	0.3
145.10088	0.3
149.02318	1.3
149.20192	0.3
152.06194	0.4
157.06410	0.3
159.08014	0.7
161.09511	0.3
165.05618	0.2
165.07024	1.1
166.07828	0.5
167.07033	1.2
167.08568	0.7
168.05678	0.4
169.06503	0.5
173.09657	0.3
175.07579	0.3
176.04729	0.5
176.06154	0.4
177.06967	0.3
178.07816	0.8
179.08546	0.8
180.09293	0.5
181.06523	0.8
181.10129	1.3
182.07295	0.5
183.08063	0.7
184.08887	0.3
187.07602	0.4
188.08273	0.3
189.07045	0.6
190.07802	0.8
191.06999	0.7
191.08572	2.1
192.09300	1.4
193.10094	1.6
194.07259	1.2
195.08093	1.6
195.11699	0.5
196.05231	0.9
197.05968	1.0
197.09688	0.6
198.06786	0.5
199.07674	0.3
200.38368	0.3
202.07802	1.1
202.09650	0.3
203.08568	1.9
204.09344	0.6
205.06525	1.9
205.10196	1.4
206.05597	0.3
206.07300	0.8
206.10863	0.9
207.08087	2.0
207.11714	1.1
208.08849	1.5
209.05977	0.8
209.09607	4.0
210.06729	1.7
210.10240	0.4
211.07500	2.6
211.11108	0.8
212.08200	0.9
213.05508	0.4
215.08620	0.6
217.10098	0.9
218.07300	0.7
219.08058	4.7
219.11728	0.5
220.08829	6.7
221.06036	0.9
221.07973	0.4
221.09619	4.8
222.06793	1.8
222.10384	1.9
223.07561	1.7
223.11110	1.6
224.04843	0.3
224.08315	1.1
224.11800	0.7
225.05447	0.5
225.09032	2.0
226.06113	0.6
226.09850	0.9
227.07024	1.0
227.10603	0.3
231.08005	1.3
232.08739	1.3
233.06023	1.5
233.09613	3.7
234.06808	1.6
234.10324	2.9
235.07585	3.2
235.11143	7.0
236.08226	1.8
236.11923	1.8
237.05421	0.5
237.09099	12.5
237.12648	1.3
238.06223	1.0
238.09814	2.2
239.07025	5.2
239.10649	2.7
239.14215	0.3
240.07597	1.0
241.04924	0.7
241.08559	0.7
241.12369	0.6
242.05692	0.3
243.06531	0.7
245.09679	1.0
246.10487	0.4
247.07544	4.5
247.10362	0.4
247.11002	0.4
248.08313	8.4
249.05446	0.5
249.09088	8.2
249.12799	1.0
250.06303	2.4
250.09839	4.2
251.07050	2.1
251.10663	6.0
252.07729	1.0
252.11420	5.1
253.04858	0.6
253.08575	4.3
253.12064	1.6
254.09363	2.1
254.11984	0.4
255.06525	0.4
255.10132	1.2
256.07104	1.3
257.08148	0.7
258.08945	0.9
260.08203	0.3
261.06174	0.4
261.09079	3.0
262.09879	6.1
263.07120	2.1
263.10651	16.0
264.07840	2.1
264.11356	4.1
265.08609	17.2
265.12177	4.8
266.09247	4.0
266.12857	1.2
267.06537	1.3
267.10150	4.2
267.13806	6.1
267.16608	0.3
268.07352	0.7
268.10593	0.4
268.14246	0.6
269.08127	0.8
269.11737	3.0
270.08719	0.7
271.09616	1.9
275.07104	1.2
275.10355	0.4
276.07816	1.7
276.11246	0.6
277.08575	3.5
277.12189	1.8
278.05887	0.7
278.09369	3.4
278.12943	0.8
279.06650	1.2
279.10129	8.5
279.13382	0.3
280.07489	1.0
280.10895	15.8
281.08148	1.2
281.11639	9.5
282.08871	3.3
282.12347	1.7
283.06265	0.6
283.09549	1.9
283.12784	0.4
284.06766	0.7
284.10126	0.5
284.13812	0.3
285.07510	0.6
285.11218	0.9
286.08139	0.3
290.09369	1.8
291.10132	12.6
292.07590	0.4
292.10767	3.2
293.08072	8.9
293.11703	7.3
294.08804	3.2
294.12463	5.4
295.09705	4.0
295.13220	25.2
296.10394	0.4
296.13885	5.8
297.07806	0.6
297.11203	8.7
297.14786	2.3
298.08255	0.8
298.11777	1.2
299.09048	2.5
305.11737	1.6
306.12552	1.6
307.09711	4.4
307.12952	0.3
308.10361	7.5
309.11218	10.8
309.14792	1.3
310.08313	1.0
310.11792	2.2
311.08914	0.9
311.12579	0.6
312.10004	0.4
312.13477	3.8
313.10391	0.7
313.14203	1.1
322.12006	1.2
323.12747	18.4
324.09573	0.7
324.13458	11.3
325.10681	11.5
325.14322	4.8
326.11063	1.2
326.14560	0.6
327.15897	16.6
328.16174	1.4
337.14246	2.1
339.12241	0.4
340.08923	0.6
340.12991	8.9
341.13461	0.4
355.15363	100.0
356.15799	8.3
356.35126	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32450	5.8
79.05487	2.3
81.07055	1.5
82.12153	0.8
91.04926	0.6
91.05471	15.3
95.04990	2.8
98.23324	1.2
103.05460	7.1
105.07034	11.4
107.04955	6.2
109.06532	3.3
115.05438	4.1
116.06260	1.2
117.07020	4.8
118.04179	2.9
119.04954	4.3
119.08585	2.3
121.06512	3.6
122.03619	0.9
127.73512	0.8
128.06226	4.9
129.07011	14.5
131.04922	10.4
131.08553	4.1
132.05721	2.7
133.06490	3.0
135.08046	4.2
137.05965	21.0
143.04915	1.3
145.06477	5.6
146.03632	4.4
146.07268	2.4
147.04411	3.0
147.08054	7.3
148.05156	2.0
149.05963	5.6
151.03903	0.9
151.07555	13.0
155.04944	1.3
155.06099	1.1
155.08606	0.8
157.06477	9.8
158.07158	1.3
159.04396	1.8
159.08009	1.5
160.05180	6.5
161.05975	100.0
161.09604	6.3
162.06291	4.5
163.07535	15.2
165.05548	1.6
165.06982	2.5
165.09041	4.2
170.03676	0.9
173.06027	1.8
174.06761	7.1
175.03989	2.8
175.07541	69.9
176.07922	1.7
178.07823	3.1
179.08614	1.2
185.06012	1.8
187.07593	1.2
189.07268	1.3
189.09106	31.8
190.07809	1.4
190.09468	1.4
191.07043	0.9
191.08600	2.5
192.09303	1.0
193.06734	1.0
193.08595	3.0
193.10176	1.0
198.06793	1.3
199.07570	2.8
201.05469	3.6
201.09119	1.4
202.07716	2.1
203.05336	1.1
203.08582	1.9
205.06549	3.4
206.07300	4.8
206.11037	1.2
207.08136	2.5
207.10190	5.9
208.08839	3.5
213.09074	3.5
217.10139	1.6
218.07265	4.1
219.08058	6.8
220.08829	3.3
221.05991	5.9
221.09653	2.6
222.06705	1.4
223.07588	2.0
223.11238	3.1
232.08679	1.1
233.05943	1.5
233.09576	2.2
234.06758	7.7
234.10378	2.0
235.07506	4.8
236.08292	4.3
237.09088	2.3
245.05962	4.0
245.09691	3.1
246.06584	2.0
246.10353	2.7
247.07584	5.2
248.08290	3.5
249.05411	1.7
249.09087	10.8
249.12924	1.1
250.06134	0.9
250.09637	1.8
251.06958	3.0
251.10689	9.7
252.07924	1.1
252.11006	1.3
253.08545	1.6
261.05704	0.9
261.09134	3.1
262.06158	4.1
262.09848	2.5
263.07004	2.9
264.07822	4.3
265.08572	3.0
267.10254	1.1
273.09216	1.6
274.09784	1.3
276.07880	1.9
277.08621	10.3
277.12250	9.3
278.09247	2.3
278.12415	1.1
279.06833	2.2
279.10172	12.2
280.07806	0.8
280.10858	2.9
281.08121	2.5
283.13037	1.5
290.09201	1.3
291.10251	2.1
293.08075	3.8
293.11417	1.6
294.08902	2.9
295.16547	1.0
296.10394	3.6
305.08557	1.0
305.11734	5.2
306.12296	1.1
308.10233	1.0
309.11258	11.3
310.11768	0.9
311.12747	40.6
312.13129	3.4
322.11792	1.4
323.09158	2.2
323.12872	2.4
337.10803	1.7
337.14374	7.5
338.14401	1.1
355.17499	27.2
356.17380	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1538
Annotation	6'-Hydroxygaruganin V
Peak:m/z	Relative Intensity
53.35153	1.1
53.93042	1.2
55.01866	1.2
58.45528	1.1
62.47561	1.1
64.57969	1.1
66.19008	1.3
71.30083	1.6
75.08911	1.0
75.39986	1.2
81.11001	1.1
90.44787	1.2
91.05456	3.7
94.04182	1.6
95.04937	1.4
103.05456	2.8
105.07011	4.0
107.04911	3.4
109.06502	1.8
115.05430	3.4
117.07014	1.5
119.04945	1.3
122.03617	2.1
125.64520	1.2
129.06973	4.0
131.04903	4.3
133.06509	1.9
135.08012	2.7
137.05974	43.9
143.04829	1.8
145.06461	2.5
146.03601	2.1
147.04440	1.7
147.07994	1.4
149.05969	2.2
151.03851	2.3
151.07562	8.6
152.06270	1.5
153.06944	2.1
157.06497	1.8
159.08043	2.3
160.05205	2.0
161.05981	17.4
162.06644	1.7
163.03836	1.5
163.07515	6.1
165.06927	2.2
169.06386	1.4
173.06055	1.2
174.06723	2.9
175.07547	16.3
177.05374	2.1
178.07785	2.3
179.08496	3.4
181.06508	3.0
185.09570	1.6
187.07556	6.5
189.05415	1.8
189.06950	4.6
189.08904	5.8
190.07756	2.6
191.08539	9.8
192.09225	1.5
193.08516	4.3
193.10130	1.9
195.08025	2.4
199.02284	1.3
199.07466	1.3
202.07751	9.8
203.08492	3.2
205.06560	6.4
205.08356	2.1
206.07201	6.8
207.08018	3.7
208.08777	2.3
211.07535	2.6
213.09145	2.8
215.08521	2.9
216.09319	2.8
217.06464	3.7
217.08614	1.2
217.10155	13.5
218.07256	4.3
219.08057	24.5
219.09978	1.2
220.08635	3.7
221.05934	5.2
221.09549	2.2
222.06654	2.1
223.07458	4.1
223.11176	1.6
224.08165	1.8
225.09050	3.6
226.07750	3.4
227.08571	2.8
229.10158	1.6
231.07977	4.6
232.08772	1.4
233.05914	5.1
233.09518	5.2
234.06769	20.2
234.10338	4.8
235.07571	8.9
235.11160	1.4
236.08296	8.2
237.09044	5.6
238.09622	1.5
243.08176	2.4
244.08681	3.8
245.05882	2.8
245.09647	28.3
246.06738	2.1
246.10231	5.6
247.07545	21.9
248.08299	20.0
249.05405	3.8
249.09096	25.1
249.11967	2.2
249.12706	2.5
250.06097	3.4
250.09674	2.9
251.07042	5.6
251.10669	15.2
252.07753	1.9
253.08452	6.9
254.09271	1.6
255.07909	2.2
256.08768	1.4
259.07376	1.7
261.05359	3.1
261.09091	10.2
262.06192	13.8
262.09793	15.9
263.07062	8.0
263.10568	10.7
264.07858	15.8
264.10892	2.0
265.08566	14.2
266.05951	2.0
266.09195	5.4
267.10098	3.2
268.10739	1.7
272.08334	2.1
273.09082	21.9
274.09857	11.8
275.06970	4.8
275.10413	1.9
276.07819	8.0
277.08508	52.2
277.12064	13.9
278.09137	9.0
278.12146	2.4
279.06528	3.5
279.10153	32.6
279.13208	1.9
280.07520	1.5
280.10629	7.2
281.08023	17.3
281.11554	4.4
281.14508	1.4
282.08731	1.5
283.09418	1.6
283.13110	1.4
287.10547	5.3
289.08475	4.3
290.09332	18.1
291.10074	18.2
292.07336	1.2
292.10672	2.0
293.07993	10.7
293.11584	4.8
294.08710	10.0
294.12015	2.5
295.09451	4.5
295.13153	4.9
296.10477	16.0
297.11057	2.7
301.10797	1.5
304.10925	1.4
305.11703	80.7
306.12265	8.9
307.09717	8.9
308.10422	12.3
309.11209	61.8
309.14737	3.0
310.11523	4.2
311.12756	100.0
312.13095	7.0
319.13120	3.4
322.11884	5.8
323.09143	2.9
323.12738	18.2
324.13202	1.9
327.12357	1.4
327.15869	4.2
337.14328	47.3
338.14560	3.7
340.13043	5.6
355.15305	68.5
356.15616	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51136	0.8
53.03929	1.1
55.01859	2.4
55.05488	2.3
67.05508	2.2
69.07073	1.9
71.29752	0.9
79.05479	3.8
81.07052	3.7
91.05478	15.5
93.07042	2.3
95.04964	2.2
95.08609	2.8
97.06513	1.4
103.05463	4.7
105.07042	9.3
107.04971	7.4
107.08592	2.9
107.67969	1.0
109.06495	3.3
109.10154	2.9
115.05445	5.3
117.03405	1.6
117.07034	4.0
118.04153	2.8
119.04959	1.4
119.08564	3.6
121.06495	3.6
121.10151	1.1
122.03642	1.4
123.08092	1.0
123.11664	1.1
128.06207	5.2
129.07022	15.3
131.04919	11.5
131.08516	3.0
132.05727	1.6
133.06485	3.0
133.10139	2.0
135.08078	4.5
137.05969	12.2
141.06900	1.1
143.04961	1.1
143.08568	1.3
145.02861	1.3
145.06471	4.5
146.03621	3.7
146.07227	2.8
147.04337	1.5
147.08043	6.9
147.11720	1.2
148.05170	1.4
149.05991	4.9
151.03899	3.1
151.07544	7.8
153.06998	1.1
157.06468	8.2
159.04398	2.2
159.08035	1.9
160.05234	5.9
161.05981	100.0
161.09590	6.4
162.06348	2.5
163.03949	2.0
163.07545	14.6
165.07005	2.1
165.09142	5.4
171.08116	1.2
173.05995	1.8
174.06758	6.5
175.03960	1.8
175.07549	59.0
176.07904	2.9
177.09027	1.4
178.07758	3.2
179.08557	1.7
181.06468	3.3
185.05965	2.3
187.07626	1.7
189.07196	1.6
189.09105	30.8
190.09396	1.6
191.08592	2.2
193.08539	1.5
193.10097	1.7
195.11337	1.5
196.11610	2.2
197.05983	1.5
199.07489	2.0
201.05525	2.8
202.07791	1.7
205.06487	2.7
206.07260	2.7
207.08392	1.4
207.10133	6.6
208.08829	2.2
209.05997	1.4
209.09511	1.2
210.06750	1.2
213.05457	1.7
213.09064	1.9
217.10345	1.1
218.07336	3.3
219.08076	5.1
220.08812	3.2
221.05869	3.1
221.09575	2.1
223.07545	1.5
223.11186	2.4
225.05447	2.0
227.07079	5.6
233.06007	2.4
233.09544	2.3
234.06779	6.0
234.10213	1.1
235.07475	3.7
236.08304	3.5
237.09006	2.1
245.05981	3.6
245.09616	4.8
246.06551	1.2
246.10341	1.9
247.07593	3.4
247.10840	1.3
248.08220	2.4
249.09077	10.6
249.12863	1.3
250.06258	1.2
250.09723	1.9
251.06932	2.1
251.08157	1.0
251.10718	11.4
253.08569	2.0
261.09180	2.4
262.06308	3.4
262.10062	1.4
263.06976	3.8
263.10461	1.3
264.07758	6.3
265.08588	4.1
266.09006	1.1
273.09103	4.1
274.09998	1.1
277.08588	11.0
277.12158	8.6
278.09222	2.4
279.06714	2.3
279.10150	9.5
280.10773	3.4
281.08066	2.7
283.13150	2.4
290.09329	1.4
291.10132	4.3
293.08069	4.2
293.11459	1.4
294.08853	2.9
295.09937	1.2
295.13321	2.7
296.10400	4.2
305.11765	4.8
308.10321	1.3
309.11218	12.1
309.14493	1.6
311.12744	35.4
312.13135	2.3
323.12857	4.6
324.13196	1.5
337.14276	9.3
355.08105	2.2
355.17630	23.9
356.17529	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1724
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
55.05508	0.4
56.09962	0.3
69.03426	0.7
69.07068	0.6
70.06196	0.8
70.06548	0.6
79.05487	0.4
81.03397	0.4
81.07062	0.5
85.02898	1.2
93.07053	0.8
95.08626	0.5
97.19769	0.3
105.06988	0.3
107.04984	0.3
109.10162	0.4
133.10069	0.3
137.05952	0.4
139.32312	0.3
145.05008	0.3
145.10141	0.3
147.11705	0.5
157.10147	0.3
158.08952	0.4
163.03925	0.4
163.07545	0.4
175.11197	0.7
193.12201	2.0
201.03711	6.1
203.05270	2.5
274.97543	0.4
355.17273	100.0
356.17627	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
71.10710	0.8
72.78922	0.4
78.09298	0.4
79.05499	0.4
91.05479	3.7
102.11853	0.4
103.05473	1.4
105.07018	2.3
107.04967	1.9
115.05450	1.7
116.02820	0.4
116.06329	0.4
117.07040	0.7
118.04203	0.6
119.04877	0.4
119.08579	0.7
121.06482	0.9
128.06213	1.4
129.06996	3.3
131.04942	2.4
131.08498	0.9
132.05711	0.6
133.06557	0.4
135.04457	0.6
135.08128	0.8
137.05980	3.5
145.06491	1.3
146.03604	0.8
147.08043	2.2
148.05228	0.9
149.05989	1.3
151.03928	0.6
151.07491	2.3
157.06499	2.5
160.05179	1.4
161.05981	25.9
161.09668	1.8
162.06381	0.8
163.07524	4.2
165.09109	0.9
170.02200	0.5
174.06813	1.5
175.07545	17.4
176.08034	0.5
178.07784	0.9
185.05978	0.5
189.09094	8.1
191.08577	0.6
201.03651	2.8
205.06490	1.2
206.07274	1.0
207.08249	0.7
207.10188	1.9
208.08846	0.5
212.89915	0.5
213.09169	0.7
217.10060	0.5
219.08119	1.8
220.08827	0.6
221.06139	0.7
221.09593	0.6
233.09593	0.7
234.06784	1.5
234.10417	0.6
235.07530	1.4
236.08319	0.7
244.09120	0.4
245.09740	1.3
246.10510	0.6
247.07634	1.0
248.08333	0.8
249.09056	3.2
251.07053	0.5
251.10675	2.9
261.09122	0.5
262.06305	1.1
263.07175	0.8
264.07864	1.2
265.08612	1.2
273.09128	1.0
277.08801	3.1
277.12271	2.5
279.07458	0.5
279.10156	3.6
280.10660	0.8
281.08075	0.6
291.10175	0.5
293.08203	1.2
293.11667	0.6
294.08823	0.8
296.10696	0.6
305.11777	1.9
307.09787	0.5
308.10428	0.6
309.11151	3.6
310.11719	0.5
311.12775	9.7
312.13058	1.1
321.78183	0.5
323.12888	1.5
325.16333	2.2
337.14194	2.0
355.17297	100.0
356.17667	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1726
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
50.39418	0.3
59.22236	0.4
61.03899	0.3
91.05482	0.6
93.07030	0.4
103.05502	0.5
105.07014	0.5
107.04990	0.3
117.07014	0.7
128.06229	0.5
129.07004	0.9
131.04939	0.8
131.08551	0.6
135.07994	0.4
137.05994	1.2
151.03969	0.7
151.07544	0.6
157.06468	0.4
160.05197	0.5
161.05978	5.8
161.09537	0.4
163.07481	0.4
175.07521	3.3
176.07712	0.3
183.11836	0.4
189.09082	1.9
207.10236	0.4
217.10217	0.5
219.08124	0.5
236.08220	0.4
245.09500	0.5
249.09131	0.7
251.10732	0.4
277.08850	0.5
277.12131	0.6
279.10046	0.9
282.69824	0.4
305.12012	0.4
309.11234	0.9
311.12726	2.2
323.12903	0.5
337.14444	0.6
355.17264	100.0
356.17606	7.1
371.73114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1728
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
55.28806	0.5
71.34186	0.9
78.75993	0.5
82.31804	0.5
86.09692	2.8
91.05498	0.6
93.07047	0.5
95.08620	0.5
131.04959	0.7
137.05998	1.1
147.09583	0.5
161.05959	2.6
175.07497	1.1
189.09184	0.7
201.03687	2.5
203.05269	3.2
203.06929	0.7
297.44763	0.5
305.36038	0.5
311.12741	1.2
315.36115	0.6
355.17288	100.0
356.17618	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1726
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
55.67597	0.5
69.03417	1.6
70.16444	0.5
71.15413	0.8
81.07048	0.6
90.54950	0.5
95.04973	0.6
97.02885	0.5
100.11243	0.5
105.07033	0.7
107.08600	0.5
111.04485	0.8
118.82581	0.5
119.08566	0.6
127.03883	1.2
137.05997	1.4
151.07518	0.6
163.03900	1.9
187.07588	0.7
193.04910	1.8
193.08319	3.8
201.05453	1.0
203.05273	1.3
206.92860	0.5
214.58734	0.5
277.08691	0.7
323.09012	0.6
355.17273	100.0
356.17508	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75896	0.4
67.05497	0.7
69.07079	0.5
71.30387	0.6
73.56399	0.3
79.05470	0.4
81.07065	0.7
91.05451	0.7
92.09329	0.4
93.07036	0.4
95.04936	0.5
95.08591	1.2
97.06471	0.4
102.08447	0.4
105.07012	0.6
107.04961	1.0
107.08584	0.5
115.05426	0.5
121.10085	0.5
131.08496	0.4
133.10104	0.5
137.05998	2.1
147.11737	0.4
151.03862	0.6
161.05980	1.0
163.03894	0.4
166.32037	0.6
175.07611	0.6
189.08946	0.5
201.03674	0.5
203.05241	1.2
222.91660	0.4
277.08527	0.4
311.12448	0.5
323.08923	0.4
355.17264	100.0
356.17590	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1904
Annotation	(-)-Cyclogalgravin
Peak:m/z	Relative Intensity
51.69508	0.3
53.03944	0.5
55.01862	0.4
55.05513	2.2
65.03960	0.5
65.47231	0.3
66.04723	0.4
67.05512	1.6
69.03429	1.6
69.07070	0.7
71.04984	0.3
71.52229	0.2
79.05477	1.3
81.03416	0.6
81.07056	1.5
83.04986	6.2
91.05478	2.2
93.07038	2.2
94.04192	5.6
95.04981	2.6
95.08611	2.8
97.06545	0.3
105.07042	3.0
107.04980	1.7
107.08595	0.8
107.40768	0.3
108.05742	1.1
109.06517	0.7
109.10155	0.6
111.04449	4.5
111.08077	0.9
115.05437	0.6
117.07037	0.9
119.04973	0.5
119.08563	1.6
121.06522	1.2
121.10154	0.3
123.08067	0.6
128.06238	0.6
129.07022	1.6
130.07785	0.3
131.04959	1.4
131.05859	0.3
131.08578	2.2
132.05669	0.5
133.06494	4.0
133.10118	1.1
135.08046	0.4
137.05991	0.4
139.07585	0.5
141.07011	0.9
142.07794	0.6
143.08549	2.1
144.09369	0.4
145.06477	12.1
145.10139	1.9
146.07185	0.5
147.04417	0.8
147.08009	0.7
149.06042	0.3
149.09615	0.4
153.06985	0.5
154.07803	0.8
155.08569	1.1
156.09390	0.5
157.06490	0.3
157.10172	1.0
158.07300	0.9
159.08080	5.3
159.11664	1.5
160.05229	0.4
160.08850	9.0
160.10132	0.6
161.05954	0.9
161.09627	4.3
161.13243	0.3
162.06766	0.3
165.07005	0.6
165.09096	0.3
166.07620	0.4
167.08569	0.6
168.09323	0.3
169.06512	0.3
169.10173	1.5
171.08073	0.8
171.11688	0.9
172.08752	1.1
173.09644	4.2
178.07790	0.4
179.08586	0.8
181.06544	0.4
181.10147	1.1
182.07210	0.6
183.08067	6.0
183.11714	0.7
184.08810	0.6
185.09633	1.1
185.13275	0.4
187.07664	1.5
187.11191	25.0
188.11685	1.1
193.10219	0.4
195.08063	0.6
195.11732	1.2
196.08864	1.0
197.09612	2.2
198.10414	0.8
199.07553	0.4
199.11188	3.1
200.08366	0.8
201.09108	15.0
202.09663	1.1
205.10170	0.4
208.08981	0.3
209.09583	1.2
209.13278	0.6
210.10437	1.2
211.11133	1.5
212.11926	0.9
213.09265	0.6
213.12723	0.8
215.10667	6.1
216.11490	2.8
217.12221	1.2
221.09822	0.3
223.11157	3.3
224.11543	0.5
225.12794	0.6
227.14250	0.6
228.74117	0.3
237.12717	0.6
238.13393	0.8
239.14273	0.4
241.12297	1.1
245.13260	0.4
247.11377	0.3
249.12811	0.4
255.11397	0.4
291.17511	0.5
293.08170	0.5
294.05148	0.3
309.07773	0.6
313.10803	0.3
319.16922	0.4
323.09055	0.5
337.18057	2.8
355.19046	100.0
356.19366	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.7
55.05504	21.9
57.03442	10.9
57.52972	4.7
59.04986	7.0
59.36794	4.9
67.05511	35.2
69.03434	37.1
69.07067	15.8
69.37640	24.8
69.38055	12.6
70.58782	6.1
71.05014	6.9
79.05486	20.7
81.03423	27.0
81.07054	34.3
83.04990	77.4
83.08635	8.7
85.02904	44.3
91.05476	19.3
93.07058	21.9
95.04968	73.0
95.08614	42.7
97.02891	21.9
97.06508	15.8
99.04445	12.0
105.07046	30.6
107.04951	20.4
107.08578	39.1
109.06522	21.5
109.10162	63.3
111.04437	6.8
111.83144	5.8
112.31911	4.6
115.80259	4.8
117.07013	9.9
119.08555	31.6
121.06491	14.4
121.10155	17.5
123.04432	7.9
123.08055	9.9
123.11683	11.9
125.05960	6.4
127.03921	20.2
131.08571	13.6
133.10139	27.9
135.08063	21.1
135.11699	19.0
137.06036	11.3
137.09607	100.0
143.08611	8.0
145.10094	7.6
147.11719	10.2
149.05994	10.9
149.09631	13.6
151.03905	6.1
155.10645	9.3
159.11722	7.4
160.05206	5.6
162.06781	5.4
167.92221	5.4
175.14879	32.4
175.30049	6.8
177.09117	8.6
179.10707	16.9
183.85135	5.1
191.14360	6.7
193.15894	49.3
201.05437	6.8
201.09085	8.7
217.16135	6.1
299.14902	7.1
301.17859	9.6
319.18842	7.6
355.17188	5.7
355.21133	23.5
364.68991	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.1
54.35595	1.8
55.01872	1.9
55.05512	24.1
55.43235	1.6
56.01939	1.7
57.03443	5.0
57.07072	10.2
57.26532	1.5
65.03939	3.6
66.17024	1.7
67.05504	45.1
69.07072	35.0
70.06585	12.0
71.08643	4.7
71.31647	2.3
79.05502	15.6
81.07057	55.5
83.08617	20.8
85.06545	4.4
88.07635	15.3
88.67542	2.0
91.05468	14.3
93.07057	19.2
95.04991	3.2
95.08612	47.6
97.06538	5.9
97.10161	15.8
99.08137	1.7
102.09183	3.4
105.07010	13.1
106.08689	7.8
107.08580	13.8
109.10164	26.1
111.11741	4.9
113.09660	1.8
119.08589	12.5
121.10163	18.0
123.08066	1.8
123.11705	13.2
129.07024	2.6
131.08560	3.0
133.10138	11.8
135.11720	11.0
137.09502	1.8
137.13261	5.7
139.11137	1.8
141.12743	2.2
143.08601	2.8
147.11681	9.2
149.02383	2.7
149.13307	8.2
151.14841	2.2
153.05489	7.0
157.10158	2.1
159.11739	2.4
161.13260	9.9
163.14842	8.3
165.05504	7.2
165.06914	4.2
165.16423	4.3
173.04262	1.8
173.13281	2.1
175.14851	5.7
178.07809	2.5
179.08508	3.2
179.18021	2.9
181.06531	3.5
181.10129	3.5
183.08049	2.1
189.16447	2.7
191.08698	3.2
193.06425	2.2
193.10114	2.3
193.15703	2.2
194.07335	4.6
195.08006	3.7
201.09061	2.9
202.09935	2.3
206.07304	3.1
207.08138	3.2
209.06056	3.7
209.09668	4.8
210.06729	3.6
211.07483	3.9
218.07309	2.0
219.08031	3.5
220.08807	5.3
221.05937	3.0
221.09840	2.8
222.06792	6.7
223.07594	4.7
223.11391	2.5
224.08363	3.2
225.05551	2.6
225.09019	2.8
227.06934	2.7
233.06146	3.3
234.06746	3.3
235.07582	5.7
235.11272	7.0
236.08284	4.7
237.05518	4.6
237.09152	12.5
238.06253	3.4
238.09776	3.4
239.07002	5.2
241.05017	2.0
241.08565	2.6
242.05907	4.1
242.08611	1.8
245.22639	23.9
246.23001	2.8
247.07634	4.8
248.08229	5.1
249.05469	2.0
249.09161	9.3
250.06190	9.5
250.09860	2.1
251.07053	6.3
251.10724	4.4
252.07755	5.0
252.11415	5.2
253.08636	3.7
254.09399	3.7
255.06557	3.3
256.07233	2.2
257.08124	2.9
262.06299	2.3
262.09897	2.7
263.07144	5.3
263.10709	9.9
263.23706	23.0
264.07700	3.8
265.05469	3.7
265.08618	26.8
265.11850	2.5
266.06085	2.7
266.09302	8.6
267.06537	6.6
267.10022	5.0
267.13889	2.0
268.07449	2.5
271.09808	2.7
276.07959	2.7
277.08588	8.8
278.09164	3.6
279.06552	4.4
279.10193	7.2
280.07721	2.1
280.10944	12.2
281.08444	3.1
281.11746	8.2
282.08987	3.7
284.06805	5.3
285.07504	6.6
291.06714	3.6
291.10187	6.0
292.10638	2.5
293.08200	27.0
293.11615	5.0
294.05377	2.6
294.08762	5.9
294.12491	2.8
295.06354	3.2
295.09683	8.5
295.13321	15.1
296.13843	3.3
297.07755	3.4
297.11285	8.9
298.08160	4.3
299.09259	4.4
307.09760	2.4
308.07153	4.0
308.10422	8.1
309.07541	4.9
309.11212	18.7
310.08313	4.4
311.08801	1.9
312.13644	2.7
313.10529	2.1
314.11465	3.0
323.09143	11.5
323.12814	33.6
324.09726	4.6
324.13446	12.9
325.10706	17.3
325.14175	3.6
326.07889	5.0
326.11292	3.2
327.15897	5.4
337.27423	10.9
338.34164	5.2
340.09564	4.4
340.13037	11.9
341.10004	5.6
341.13870	12.9
355.11621	31.3
355.15424	99.5
355.25769	3.8
355.29596	2.5
355.33582	1.9
356.12228	8.4
356.16122	42.2
356.35229	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.7
55.01849	1.6
55.05511	30.4
57.03428	5.1
57.07072	14.4
57.87468	1.3
61.67540	1.5
63.75269	1.5
65.03945	1.7
67.05505	61.3
69.07069	41.0
70.06597	7.5
71.04974	2.1
71.08629	8.1
71.32384	2.9
74.54896	1.7
79.05495	22.6
81.07055	79.6
83.04989	2.9
83.08623	28.9
85.06538	2.7
85.10181	6.8
88.07628	14.9
91.05463	15.0
93.07037	26.5
95.04939	2.3
95.08604	68.0
97.06529	9.2
97.10164	19.2
99.08099	4.8
102.09168	2.7
105.07019	14.6
106.08675	6.1
106.66151	1.4
107.08599	23.3
107.09291	2.6
109.06535	2.6
109.10142	40.9
110.10440	1.8
111.08114	4.1
111.11720	4.4
113.09651	5.8
115.95750	1.4
117.07026	1.7
119.08579	18.2
121.10143	26.8
123.08056	1.8
123.11726	18.5
125.09588	2.4
125.13284	1.9
131.08556	2.9
133.10120	15.4
135.11694	15.7
137.09569	3.0
137.13266	8.6
139.11136	2.0
141.12782	1.7
145.10086	2.2
147.11668	11.5
149.13263	10.2
150.13614	1.6
151.11150	1.6
151.14816	5.3
155.14235	1.7
157.10103	2.6
159.11722	2.8
161.13274	11.2
163.14804	11.7
165.07025	4.1
165.16389	6.9
165.87891	1.8
166.07858	2.6
173.99480	1.7
175.14833	11.4
177.16351	2.5
178.07684	2.4
179.08578	3.8
179.17975	4.3
181.06441	2.6
181.10278	1.8
181.12169	1.8
189.06778	1.5
189.16422	6.7
190.07829	1.8
191.08617	3.5
192.09337	2.2
194.07249	6.7
195.08089	1.9
198.06699	1.8
201.08989	1.5
203.17987	2.2
205.06480	5.3
206.07220	1.6
207.08084	3.1
208.08838	2.7
208.69469	1.6
209.06129	1.7
209.09631	6.6
210.06728	3.0
211.07535	3.6
213.05223	1.7
215.17886	3.4
219.08049	7.3
220.08792	5.4
221.05948	2.7
221.09659	2.7
222.06636	7.7
223.07558	6.0
224.08316	2.9
225.05453	2.1
226.06468	2.0
226.73254	1.7
233.06012	2.8
234.06731	2.2
234.10440	2.7
235.07587	6.8
235.11137	8.5
236.08339	3.7
237.05461	3.0
237.09116	22.0
238.06154	1.6
238.09789	3.7
239.07008	5.5
239.10466	2.7
240.07533	1.7
245.22641	39.3
247.07483	3.2
248.08353	5.1
249.05324	2.0
249.09105	10.8
250.06363	7.8
250.09679	3.9
251.06981	9.2
251.10622	5.6
252.07736	3.2
252.11426	3.2
253.04736	2.1
253.08539	3.5
258.27893	2.4
261.09396	2.1
262.10001	3.0
263.07059	4.9
263.10651	10.8
263.23712	36.7
264.07874	3.4
264.11349	4.5
264.24121	3.1
265.08624	29.7
265.11807	3.2
266.06210	2.2
266.09259	11.4
267.06702	2.6
267.10144	5.5
267.13846	2.1
269.11771	2.7
276.07626	2.1
277.08554	7.2
278.05740	2.0
278.09378	5.4
279.06699	3.0
279.10199	6.2
280.07584	2.8
280.10950	12.3
281.08450	1.9
281.11551	7.6
282.08820	2.9
283.06339	1.9
283.09552	2.0
291.06943	2.7
291.10034	9.2
292.07397	2.5
292.10690	2.7
293.08130	34.7
293.11551	5.0
294.08838	8.1
294.12003	2.0
295.06207	2.3
295.09674	5.2
295.13297	16.6
296.13962	5.2
297.07758	2.0
297.11139	5.3
298.08401	2.6
307.09616	3.2
308.06894	2.6
308.10364	24.0
309.07578	4.2
309.11133	17.9
310.11530	2.3
323.09155	8.0
323.12726	100.0
324.09946	3.0
324.13351	17.8
325.10712	11.6
325.14172	3.3
327.15863	8.2
337.27451	13.8
338.34222	5.3
340.12927	5.8
341.09985	2.7
341.13651	1.8
355.11588	21.9
355.15387	80.3
355.29144	2.8
355.33786	1.6
356.12112	5.2
356.15857	13.2
356.35202	73.7
356.38617	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.05509	22.5
57.07077	14.3
59.05000	1.1
67.05508	24.1
69.03426	2.7
69.07068	50.6
71.04998	6.0
71.08640	6.7
71.30320	1.6
73.06548	2.4
79.05497	13.6
81.03412	2.7
81.07058	100.0
82.07394	2.8
83.04980	14.8
83.08142	1.9
83.08621	30.7
83.09113	1.7
85.06532	5.8
85.10192	1.8
91.05470	8.1
93.07042	21.1
95.04965	4.6
95.08607	67.8
96.08897	2.2
97.06526	13.0
97.10171	15.9
99.04466	2.5
99.08094	3.0
101.06019	6.1
105.07034	12.8
107.04942	2.2
107.08596	18.0
109.06488	3.0
109.10153	37.7
110.10499	1.5
111.08087	6.1
111.11721	12.5
113.06007	4.9
113.09651	2.1
115.07566	7.3
117.07020	1.5
119.08571	9.7
121.10140	16.8
123.08059	1.9
123.11702	28.9
125.05996	2.3
125.09620	4.0
125.13266	4.5
127.03892	1.9
127.07570	1.6
129.05492	6.4
129.06970	1.6
131.08524	2.5
133.10141	8.0
135.11722	9.2
137.05945	2.4
137.09605	1.4
137.13254	24.4
138.13588	1.3
139.07553	2.3
139.11182	4.7
141.12740	1.3
143.07030	4.0
143.08542	1.4
145.10126	3.3
147.08058	1.7
147.11667	14.9
149.05878	1.3
149.13268	6.6
151.07585	3.0
151.11147	1.5
151.14809	5.8
153.09108	1.9
153.12758	5.6
155.07053	2.3
155.14273	5.1
157.10124	3.4
159.08060	1.6
161.05954	1.2
161.09663	1.6
161.13293	5.3
163.03891	2.9
163.11101	1.6
163.14825	4.8
165.09109	2.6
165.12802	4.9
165.16385	2.6
167.14314	3.6
169.08591	1.8
173.13321	1.8
175.11188	3.8
175.14774	1.4
177.16356	3.0
179.08553	1.6
179.10715	2.0
179.17932	1.8
181.06503	1.3
181.12149	1.4
181.15804	2.0
183.10222	1.3
183.13812	2.9
188.36363	1.1
189.16408	1.2
191.17952	2.5
193.12242	4.8
194.07323	1.2
195.13739	1.5
195.17409	1.2
196.08588	1.2
197.05988	1.7
197.09775	1.2
197.11723	4.6
199.04025	1.3
201.09131	1.5
201.14758	1.2
203.17944	1.9
205.19514	3.0
206.07198	1.5
209.05910	1.9
209.09531	1.7
209.18982	2.3
210.06879	1.2
211.07579	3.1
211.13258	11.5
213.05356	2.4
215.10681	1.3
217.19511	2.9
220.08885	1.8
223.03929	1.7
223.07585	2.1
223.20509	1.5
225.05516	2.1
225.09093	1.7
225.14822	1.7
235.07491	2.2
235.20639	1.4
237.05386	3.4
237.09152	4.7
238.06190	2.3
239.07042	3.4
241.04895	1.4
247.24167	1.9
248.08264	1.6
249.09259	2.7
251.03456	2.0
251.07024	3.0
252.07756	1.9
253.04922	1.3
253.08588	3.2
254.09001	1.1
255.06572	2.7
256.07227	1.7
263.06839	1.4
263.10684	1.4
265.04993	3.2
265.08597	7.7
266.05853	2.0
267.06403	2.9
267.10080	2.9
267.13791	2.6
267.19611	1.6
269.08109	2.5
271.09625	1.2
273.25815	2.5
277.08636	2.3
278.05902	1.2
279.06662	2.2
279.10263	3.0
280.03497	1.6
280.07510	2.2
280.10809	2.3
281.04819	1.5
281.08038	7.9
281.11618	3.1
281.21149	3.5
282.08704	2.9
283.06000	1.9
291.06784	1.2
291.10098	1.4
291.26782	1.8
292.10815	1.2
293.04520	2.2
293.08029	3.0
294.05185	3.6
294.08658	1.5
295.06219	2.0
295.09647	5.0
295.13245	6.4
296.13785	1.4
297.07535	4.9
297.10855	2.1
298.08118	2.3
299.09229	1.7
308.06778	8.2
308.10175	2.1
309.07581	1.7
309.11093	3.4
310.08041	1.1
311.05502	4.3
312.09778	2.3
312.13342	2.4
313.10669	5.6
319.26300	4.1
323.09067	11.0
323.12769	9.6
324.09674	3.4
324.13220	2.5
325.07053	1.6
325.10599	2.3
326.07776	3.1
327.12320	1.4
327.15857	3.2
337.27356	11.5
340.12909	2.5
355.07300	1.4
355.07999	0.9
355.11588	15.5
355.15439	27.2
355.28485	3.5
356.12048	2.3
356.15948	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.05515	25.3
57.07064	7.4
61.09655	3.3
65.03953	4.6
67.05509	42.1
69.07068	41.6
69.15517	14.4
69.15938	15.5
71.08607	4.9
72.38414	3.2
73.04755	49.9
79.05495	35.1
81.07056	85.4
83.04988	16.7
83.08617	18.9
85.06544	5.7
87.53239	3.4
91.05846	92.7
93.07037	70.8
95.04966	3.5
95.08607	100.0
95.92303	3.6
97.06544	6.5
97.10166	8.6
98.22437	4.0
104.69659	4.2
105.07036	49.1
105.90697	3.5
107.08600	92.9
108.08910	4.2
109.06487	5.1
109.10149	98.8
110.10515	4.2
111.08036	4.6
111.11700	4.4
114.07405	8.2
117.07005	10.0
119.08584	64.8
119.57967	3.8
121.10145	74.9
122.10460	4.4
123.08056	11.3
123.11719	42.0
125.09669	10.0
129.06973	3.9
131.08612	17.6
133.10129	49.3
135.08110	5.9
135.11700	44.9
137.09569	4.4
137.13263	15.1
139.11206	4.9
143.08603	8.4
144.09087	3.1
145.10121	28.9
147.08054	4.2
147.11702	42.3
149.09621	10.5
149.13277	45.7
157.10143	16.8
159.11697	28.8
161.13260	36.8
163.11176	15.9
163.14822	50.3
166.92245	3.2
169.10158	7.9
171.11699	9.7
173.13271	25.5
173.15715	3.1
175.11259	3.6
175.14795	20.8
177.12814	11.2
177.16393	16.7
183.11713	5.6
185.13228	9.2
187.14828	12.0
189.16388	15.1
191.14220	6.4
193.15895	11.0
197.13152	3.7
199.14844	10.8
201.16373	7.8
203.14288	6.2
203.17952	11.7
205.15778	4.6
209.13350	3.8
211.07585	5.7
213.16304	12.2
215.17938	10.8
217.15909	4.5
217.19559	16.0
227.07039	3.8
227.17995	7.2
229.19569	6.0
234.06702	4.0
235.07523	7.0
237.09085	9.3
241.19492	6.6
243.17445	4.1
245.15080	3.4
249.09201	5.3
250.06117	4.3
253.19525	5.7
254.09549	4.3
257.08267	5.7
259.20673	5.4
263.10818	4.5
265.05783	3.7
265.08551	19.7
267.21216	4.3
268.97784	29.3
269.22620	8.6
273.22119	4.6
277.08591	8.8
279.10022	4.2
280.10944	8.8
281.11761	5.7
285.00964	47.4
286.00864	6.4
293.08145	14.4
294.08945	5.8
295.13235	11.8
297.11197	4.1
299.23724	6.1
303.02066	12.8
309.11292	7.7
323.12787	14.8
324.09857	4.4
325.10657	6.7
337.28854	17.5
340.12949	4.7
355.07361	34.8
355.11551	11.8
355.15366	95.2
355.22437	7.7
355.26318	12.9
355.30063	91.8
356.07062	6.4
356.12012	4.4
356.16013	17.0
356.30048	10.5
356.34705	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16231	1.2
50.76984	1.4
55.01865	2.8
63.90934	1.3
69.03411	2.8
69.62955	6.8
71.67757	1.1
91.05463	2.5
96.87713	1.4
109.89137	1.3
119.04916	3.4
121.02903	2.1
123.04416	5.3
129.02112	1.3
130.06534	2.6
131.04858	1.8
135.04398	1.7
137.05974	3.2
138.22562	1.4
142.08643	1.5
147.04402	26.1
149.01288	1.4
149.02296	7.2
149.05984	1.8
151.03915	2.2
159.04396	3.1
161.05951	2.5
163.03906	12.8
175.03896	4.1
177.01840	7.6
177.05464	2.9
185.05952	1.5
187.03877	3.9
189.05473	2.2
190.05933	1.7
191.03395	1.7
194.11717	1.9
195.06287	3.6
202.05878	1.4
203.03384	100.0
204.03761	4.7
205.04953	11.9
206.05264	11.2
215.03300	7.7
217.04932	1.9
218.05322	1.9
229.04979	3.4
230.05594	1.4
231.02878	13.9
231.06462	1.6
232.06833	2.3
233.04468	5.5
234.04773	1.4
235.06100	3.7
236.06325	7.6
257.04507	1.9
260.06326	5.1
261.03888	8.2
279.04993	19.1
284.06573	2.3
287.10760	1.4
291.04953	19.6
302.07288	2.0
303.04819	1.5
320.08145	2.1
321.06064	4.0
339.07019	8.0
356.13724	9.2
357.11664	1.8
357.15280	13.7
357.19528	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33671	0.3
59.96897	0.3
68.99718	0.4
75.04398	0.4
79.57310	0.3
99.04327	4.0
100.04664	1.1
105.06940	0.3
127.03919	1.5
128.04204	0.4
139.05307	0.8
141.06857	0.4
152.06076	1.1
153.06721	0.7
154.07312	0.5
155.08212	0.3
157.06329	0.4
165.06989	1.6
166.07271	1.4
167.08359	0.6
168.05562	0.6
169.06465	0.6
170.06854	0.7
176.06064	0.3
177.06676	0.4
178.05981	0.7
178.07387	0.7
179.06445	0.8
179.08015	0.5
180.05505	0.6
180.08748	0.6
181.06458	2.9
182.07222	3.1
183.04327	0.6
183.07860	0.9
184.05110	0.5
185.05704	0.9
186.06212	0.7
191.08333	0.4
193.06407	0.6
194.07040	1.1
195.04251	1.4
195.07608	1.8
196.04904	1.2
196.08337	1.3
197.05948	2.3
198.06491	1.6
198.09732	0.4
199.03792	0.4
199.07196	0.4
200.04214	0.4
205.06311	0.5
206.06787	1.2
207.04358	0.6
207.07701	0.6
208.04863	1.4
208.08308	1.2
209.05934	2.7
209.09206	0.6
210.06580	3.0
210.09901	1.0
211.03772	0.6
211.07516	2.5
212.04459	0.8
212.07881	1.2
213.05336	2.7
213.08885	0.5
214.05867	0.6
215.06352	0.3
220.05043	0.5
220.08301	0.6
221.05861	0.7
222.06583	2.3
223.03923	4.0
223.07191	2.7
224.04292	6.9
224.07846	2.4
225.05440	4.4
225.07687	0.5
225.08662	1.0
226.05942	3.5
226.09326	0.7
227.03328	0.5
227.07031	1.5
228.03882	1.1
228.07381	1.2
233.05786	0.4
234.06290	1.4
235.03911	0.3
235.07080	1.6
236.04379	1.6
236.07913	1.9
237.05371	3.8
237.08908	0.8
238.05887	8.2
238.09355	2.2
239.03116	1.4
239.06734	4.5
239.10094	0.5
240.04250	1.7
240.07695	3.4
240.10989	0.5
241.04855	3.7
241.08356	1.0
242.05508	0.9
242.08705	1.2
243.06412	0.7
243.09808	0.6
244.06953	0.5
247.07190	0.3
248.07898	0.6
249.05292	0.8
249.09038	0.5
250.05899	2.7
250.08817	0.5
251.03294	3.0
251.06619	4.2
252.03683	11.3
252.07292	3.8
253.04779	9.0
253.07968	2.1
254.05386	5.4
254.08830	1.9
255.03021	0.4
255.06323	2.8
255.08965	0.4
256.03781	2.6
256.07120	2.8
262.05875	1.0
263.06747	1.7
264.04007	0.9
264.07324	3.6
265.04715	4.5
265.08185	2.4
266.05264	12.4
266.08832	5.7
267.06155	5.5
267.09689	2.0
268.07245	21.5
268.10068	1.0
269.04218	4.3
269.07932	5.8
269.11023	0.4
270.04968	2.3
270.08380	1.4
270.11966	0.9
271.05936	13.6
271.09485	3.2
277.08328	0.4
278.05457	1.1
278.08792	0.5
279.03061	0.6
279.06216	2.3
279.09256	0.4
280.03311	3.0
280.06860	5.7
281.04166	11.1
281.07596	6.4
282.04764	8.0
282.08298	4.6
283.05853	6.4
283.09082	1.3
284.03113	1.0
284.06357	5.4
284.09830	0.8
285.07541	4.4
290.05273	0.7
291.06192	0.7
292.06854	3.5
293.04312	3.2
293.07614	2.4
294.04803	19.4
294.08334	6.2
295.05588	25.5
295.09183	4.3
296.03180	0.6
296.06479	18.0
296.09933	5.2
297.03598	4.3
297.07269	10.6
297.10733	1.2
298.04410	3.2
298.07980	4.9
298.11475	2.6
299.05399	9.9
299.09024	4.9
300.05890	0.8
306.08551	0.7
307.08963	0.4
308.06699	4.9
308.10007	0.6
309.07120	37.3
310.07843	19.3
311.05377	5.2
311.08624	2.1
312.05826	27.3
312.09192	0.9
313.06909	8.8
313.10202	0.5
314.07776	17.1
315.08609	1.0
323.09039	4.7
324.09451	70.6
325.10199	41.3
326.07635	13.2
326.10965	7.4
327.04837	4.5
327.08221	32.5
327.11545	1.1
328.08710	3.4
328.12671	0.9
329.10150	38.4
338.10950	0.4
339.08597	0.9
340.09131	0.5
341.05994	0.5
341.09677	5.0
342.07227	6.2
342.10492	0.4
356.12073	100.0
357.09323	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	2.5
69.76169	11.6
70.06596	4.4
85.02908	3.5
91.05490	10.5
91.87057	2.1
96.44077	2.1
119.04948	21.7
123.04459	2.6
127.33140	2.4
127.74079	2.0
130.06519	6.3
132.34476	2.2
137.05974	5.7
145.02869	6.5
147.04414	100.0
148.04805	4.5
148.07549	4.2
149.06013	3.7
163.03908	5.0
164.04230	5.6
176.07077	9.0
177.05453	8.9
181.04968	4.8
194.08109	5.7
195.02898	5.6
195.06410	7.9
317.41782	2.6
349.22498	2.5
356.13971	6.5
357.11426	4.0
357.15240	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
56.50989	0.7
57.03437	15.7
69.03425	1.9
69.15039	6.3
69.89476	0.7
76.34740	0.7
81.03433	3.5
85.02901	3.1
93.22893	0.7
97.02872	1.1
99.03831	1.6
99.04457	25.7
99.05103	1.6
100.04781	0.8
117.05499	12.8
119.04938	0.8
131.07037	100.0
132.07368	1.5
137.06062	0.8
145.04901	1.0
147.04425	2.0
159.06538	13.3
163.03915	2.5
164.04248	2.4
177.07588	16.9
180.08687	1.1
194.07961	1.4
194.10233	0.9
195.06277	1.1
204.04878	1.0
221.05602	2.6
222.05905	4.9
320.09763	0.9
338.10602	2.3
356.11890	1.2
357.11594	2.5
359.25574	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0968
Annotation	Petalostetin
Peak:m/z	Relative Intensity
55.01888	0.2
69.46734	0.7
79.93144	0.1
87.31235	0.1
90.96646	0.1
115.05476	0.2
128.06262	0.2
129.07021	0.1
139.05461	0.3
141.06978	0.3
152.06204	0.7
153.06982	1.2
155.04953	0.3
155.08560	0.5
157.06493	0.5
165.06958	1.0
166.07547	0.3
167.04927	0.2
167.08597	0.4
168.05717	0.4
169.06453	1.0
170.07263	0.8
171.08067	0.4
177.07002	0.3
178.07736	0.2
179.08545	0.2
180.05658	0.3
180.08545	0.2
181.06462	2.7
181.08008	0.2
182.07234	1.0
183.04434	0.6
183.08072	1.2
184.05212	0.6
185.06020	1.3
185.09666	0.2
186.06686	0.2
193.06468	0.4
194.06975	0.1
195.04456	0.4
195.08051	1.4
196.05261	0.7
196.08621	0.2
197.05966	2.5
197.09610	0.2
198.06738	5.0
199.03923	0.4
199.07500	1.9
200.04622	0.2
200.08302	0.5
208.05176	0.4
208.08249	0.2
209.05954	2.0
209.08765	0.3
210.06723	1.3
211.03960	0.9
211.07564	2.0
212.04688	0.9
212.07996	0.5
213.05515	2.7
213.09084	4.4
214.06203	1.0
214.09438	0.2
215.07076	0.3
221.06009	0.5
222.06512	0.2
223.03893	0.4
223.07523	2.1
224.04669	1.0
224.08200	0.6
225.05457	3.5
225.08893	0.3
226.06238	8.4
226.08646	0.3
226.39064	0.1
227.03429	0.3
227.07004	4.4
228.04279	0.7
228.07770	2.1
229.05066	0.7
229.08397	0.3
235.07425	0.4
236.04695	0.4
236.08113	0.3
237.05479	1.6
237.08104	0.3
238.06201	1.3
239.03426	1.3
239.07027	4.5
240.04245	1.0
240.07761	2.0
240.10500	0.2
241.04953	12.1
241.08588	12.7
242.05647	2.6
242.08772	1.1
243.02716	0.1
243.06511	1.7
243.10208	0.3
250.06157	0.2
251.03351	0.3
251.07066	0.8
252.04271	0.5
252.07640	0.5
253.04959	2.5
253.08337	0.9
254.02834	0.3
254.05733	4.4
254.08537	0.5
255.02925	0.5
255.06520	7.2
256.03683	1.4
256.07278	11.1
257.04419	0.8
257.07825	1.8
258.04846	0.2
265.04904	0.4
265.07944	0.4
266.05750	1.4
266.08600	0.3
267.03168	0.3
267.06537	4.2
267.09750	0.7
268.03961	0.3
268.07245	3.2
268.10242	0.4
269.04440	9.0
269.08023	7.3
269.10825	0.9
270.05170	5.5
270.08463	1.3
271.05994	6.9
271.09598	3.7
271.12256	0.2
272.06506	0.6
272.09988	0.4
279.06500	0.3
280.07077	0.2
281.04404	2.0
281.07925	1.1
282.01587	1.1
282.05167	3.5
282.08267	0.5
283.06000	12.1
284.06754	35.1
285.07489	17.6
286.04739	0.2
286.07913	1.5
294.05231	0.3
295.05927	0.5
295.09265	0.7
296.03372	0.2
296.06674	0.9
296.09753	0.5
297.03925	5.9
297.07526	13.3
297.10336	1.0
298.04425	0.9
298.08145	2.7
298.11411	0.3
299.05527	17.0
299.09100	62.5
300.02582	1.4
300.05872	1.5
300.09467	4.8
301.03076	0.1
301.06213	0.2
309.07373	0.3
310.04675	0.2
310.08041	0.1
311.05457	10.4
311.08588	0.5
312.02628	0.7
312.06146	3.6
312.09164	0.3
313.06732	0.8
314.07788	1.7
315.04898	0.9
315.08185	0.5
325.07004	1.7
325.10645	0.6
326.07809	29.6
326.10919	1.0
327.04907	17.8
327.08560	28.6
328.05164	1.4
328.08728	3.8
329.10123	2.3
330.10742	0.2
342.07303	37.6
343.07675	3.4
343.11566	0.3
357.09589	100.0
358.09958	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1332
Annotation	Spiraformin A
Peak:m/z	Relative Intensity
55.01860	0.8
60.45303	0.7
69.15894	5.7
76.82958	0.7
81.07026	0.8
83.27042	0.6
91.05477	0.8
95.08553	0.7
98.52211	0.7
105.06985	1.4
119.08507	0.9
127.34560	0.7
143.08505	1.0
152.06161	1.0
153.06976	2.0
155.08569	1.1
157.06531	1.0
157.10036	1.7
161.09512	0.8
165.07065	3.3
166.07729	0.8
167.07024	0.7
167.08484	1.5
168.05589	1.4
168.09293	0.8
169.06503	0.8
178.07739	3.0
179.08572	6.0
181.06421	4.6
182.07101	1.2
183.08041	2.5
184.05199	1.2
185.05933	1.0
189.06946	1.0
190.07724	0.8
193.10030	0.8
194.07283	1.2
195.08044	4.9
196.05197	1.6
196.08798	7.9
197.05916	3.7
197.09499	2.1
198.06781	1.3
199.07532	1.3
199.11098	0.9
205.06404	1.2
206.07236	1.5
207.07994	2.4
208.08806	2.0
209.05952	5.2
209.09529	2.9
210.06750	4.7
210.10408	0.9
211.07578	8.0
211.11169	3.5
212.08142	0.8
213.05408	2.4
213.09145	3.8
218.07224	1.1
221.06123	0.9
221.09624	2.3
222.06657	2.4
223.03900	7.9
223.07385	3.3
224.04649	1.1
224.08305	15.1
225.05476	5.7
225.08934	2.5
226.06120	1.1
227.07065	2.7
227.10785	0.8
228.07539	1.4
234.06717	1.8
235.07530	2.8
236.04622	1.0
236.08295	3.1
237.05420	6.7
237.09055	3.9
238.06258	16.9
238.09863	2.4
239.07002	6.8
239.10658	16.6
240.04117	1.6
240.07828	4.5
240.10747	0.8
241.04839	1.4
241.08572	6.5
242.05641	2.9
249.09128	3.5
250.06184	2.2
251.07043	7.0
252.04152	1.1
252.05028	1.1
252.07787	12.1
253.04980	4.2
253.08444	3.7
254.05716	1.9
254.09355	2.6
255.06566	2.7
255.10150	1.7
256.07196	1.2
256.10925	4.6
265.05045	1.8
265.08618	4.4
266.05740	2.3
266.09259	4.6
267.06586	5.3
267.10144	34.6
268.07275	8.1
268.10486	3.2
269.08069	6.2
269.11588	3.7
270.05179	2.2
270.08612	1.8
271.09686	1.0
279.06531	4.9
279.09338	0.8
280.07205	7.1
281.04443	2.1
281.08072	4.4
281.11615	1.8
282.08786	3.8
283.06110	1.9
283.09537	2.5
284.07043	0.7
284.10382	3.7
285.07617	2.2
286.04803	1.3
293.08167	1.5
294.08813	4.4
295.09634	100.0
296.06763	4.9
296.10062	8.9
297.07492	3.1
297.11209	6.1
299.09137	2.1
299.12799	6.5
300.12891	0.9
301.07156	4.2
310.08368	1.6
311.09106	5.3
312.09854	7.1
313.07083	9.8
315.08661	1.2
325.10709	39.1
325.13992	1.5
326.11340	8.9
327.08658	3.2
327.12198	21.1
328.09357	5.6
328.12732	2.3
329.10028	0.9
342.10944	6.3
357.13312	36.0
357.21674	3.3
358.13702	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1331
Annotation	Spiraformin A
Peak:m/z	Relative Intensity
53.69396	0.7
55.01852	2.2
71.31227	1.1
79.05505	1.6
80.98605	0.8
81.07033	1.1
91.05484	5.1
91.41214	0.8
93.07027	1.7
94.04168	1.0
95.04971	1.1
98.39037	0.9
102.04688	3.3
103.05454	8.1
105.07053	5.2
107.04949	6.0
109.06517	1.1
109.71804	0.7
115.05460	1.6
117.07018	2.1
118.04182	0.9
119.04942	2.3
121.06517	5.9
122.03612	2.0
123.04464	1.1
124.05213	0.8
129.07024	2.3
130.04124	3.4
131.04951	7.2
131.08557	1.0
133.06483	3.1
134.07288	2.1
135.04396	1.2
135.08017	1.9
137.05975	25.3
145.06459	2.6
146.03610	5.4
147.04439	4.0
149.05989	13.2
151.03903	6.6
151.04974	1.5
151.07416	1.0
153.05455	1.7
157.06497	1.4
160.05170	1.3
161.05981	55.4
162.06775	8.4
163.07518	6.6
165.06908	1.7
166.07776	1.4
167.07097	1.1
167.08459	0.9
172.05135	1.3
173.05853	1.0
174.06775	4.0
175.07582	4.4
177.05525	1.4
177.06981	1.9
178.07771	1.4
179.07037	1.6
179.08482	1.7
180.07780	1.1
181.10338	0.9
187.07529	1.8
188.04672	2.3
189.05464	0.9
189.09140	1.4
191.07031	12.2
191.08600	2.2
193.06540	1.3
194.07251	5.6
195.06522	4.5
195.08066	2.1
203.07024	78.7
204.07356	3.3
205.06482	5.6
205.08603	9.2
206.07089	0.9
207.08095	2.6
208.08780	1.1
209.06110	1.0
209.09628	4.2
210.06813	1.1
211.07504	2.1
215.06947	4.6
219.08070	4.4
221.06000	3.6
222.06735	8.6
223.07507	2.6
224.08340	1.4
225.09175	1.8
226.09834	1.2
233.05910	6.4
233.08098	24.4
234.06557	1.8
234.08664	1.3
235.07593	1.7
236.08336	2.7
237.05418	1.6
237.09099	15.3
238.09662	2.0
239.07019	2.7
247.07495	2.4
248.08328	1.3
249.05411	1.2
250.06259	6.4
251.07013	5.6
251.10649	2.4
252.07796	1.2
253.08641	3.7
254.09349	2.3
255.10110	1.0
264.07745	3.2
265.08603	34.4
266.09146	3.0
267.06537	2.1
267.10141	3.4
268.06967	0.9
269.08060	4.2
269.11890	1.9
270.08591	1.2
275.06885	2.4
277.08615	1.3
277.57181	0.8
279.10089	6.8
281.08124	2.0
282.08835	10.7
283.09384	1.3
284.10330	2.8
285.11261	1.1
289.38367	0.8
292.07245	2.1
293.08054	1.3
296.10413	1.4
297.11200	100.0
298.11530	7.7
307.09625	11.2
308.09961	1.2
311.09457	1.3
311.12674	4.0
321.11298	2.6
324.09836	0.8
325.10693	57.0
326.10980	5.4
327.12283	5.3
328.60571	0.8
339.12250	17.4
340.12613	1.8
357.13309	33.4
357.17737	1.2
358.13672	1.8
358.80539	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1333
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
50.90072	1.1
53.03945	2.0
54.22992	1.0
54.71811	1.1
55.01868	4.5
65.03944	3.0
67.05505	1.9
69.03441	1.1
71.30017	1.7
78.69452	1.4
79.05485	3.3
79.62146	0.9
81.03425	1.2
81.07078	2.8
82.25944	1.0
87.37885	0.9
89.03909	2.5
91.05502	6.6
93.03378	2.8
94.04191	3.6
95.04958	3.0
97.38351	1.1
100.11300	1.3
100.95329	1.1
103.05470	23.6
105.07043	3.2
107.04966	4.5
109.06528	4.6
111.04427	2.2
114.09141	1.7
115.05482	8.8
117.03408	2.7
117.07030	4.6
119.04913	2.4
121.06489	1.8
122.03649	9.7
123.04387	1.4
125.06007	1.8
128.06209	1.4
129.06995	3.4
131.04930	52.4
132.05289	1.1
133.02882	1.6
133.06496	3.0
134.03606	2.1
135.04340	2.2
135.08011	2.4
137.05980	100.0
138.06332	2.9
143.04929	11.1
144.04459	1.7
144.05678	3.3
145.06482	7.3
146.03644	3.8
147.04434	4.4
149.04881	2.0
149.05991	22.4
150.06369	1.2
151.03925	23.5
151.05028	2.6
151.07474	6.7
153.05463	3.9
155.04910	6.7
157.02853	2.9
157.06433	1.8
159.04449	1.3
159.08032	1.2
160.05191	10.0
161.05981	11.8
162.06728	1.6
163.07555	27.7
164.08165	1.1
165.05464	5.8
165.07011	2.8
167.07019	5.3
172.03955	5.1
172.05246	1.9
173.06009	2.6
174.06741	2.1
175.07555	23.9
176.07867	1.8
177.05582	6.0
177.09103	3.9
179.06998	1.4
179.08582	2.3
187.07532	8.6
188.04692	1.4
189.05527	2.4
189.07040	2.7
189.09126	2.6
190.07759	2.8
191.06993	5.8
191.08582	8.8
193.06583	1.8
194.07239	1.4
195.08055	1.7
200.04686	1.4
203.07025	43.1
204.06337	5.2
205.06471	3.2
205.08636	3.9
206.07312	1.4
207.08163	2.4
208.08893	1.7
210.06859	1.7
211.07637	2.1
215.07004	8.2
217.06509	3.5
218.07300	5.4
219.08072	17.6
220.08636	1.9
221.06015	2.2
222.06827	2.8
223.07535	1.6
225.09219	3.0
227.07086	3.4
233.06119	2.0
233.07956	7.2
234.06679	5.0
235.07523	5.6
236.08354	5.9
237.09154	7.3
239.07031	1.8
240.07797	2.7
241.08560	2.0
246.06828	2.2
247.07605	10.1
248.08258	3.3
249.05511	2.3
249.09068	4.8
250.06189	1.7
251.06903	1.6
251.10672	15.6
252.07700	1.3
253.08612	4.9
255.06487	3.9
261.09042	6.2
262.06323	2.2
262.09799	1.1
263.07077	5.6
264.07852	7.4
265.08624	11.6
266.09302	2.0
267.10159	3.0
268.07278	1.2
269.08130	7.0
270.08859	5.1
271.09573	3.6
274.32855	1.1
277.08594	11.5
278.09235	4.0
279.10165	24.0
280.10654	5.7
281.08173	2.9
282.08774	2.5
283.09592	6.7
284.10422	8.6
285.11160	3.6
289.08624	2.5
291.06555	1.6
291.09784	1.3
292.07474	1.8
293.07935	1.8
293.11682	1.5
294.08792	3.8
295.09723	2.4
296.10367	3.5
297.11130	7.9
298.11905	1.3
299.12720	2.6
306.08868	3.1
307.09717	7.8
308.09998	1.6
309.07809	2.1
309.11200	15.9
310.11914	3.3
311.09695	0.9
311.12756	25.9
311.16379	1.4
312.13226	1.8
321.11111	5.9
325.10715	4.3
325.14224	2.2
327.12122	6.6
329.13821	1.6
339.12302	17.3
357.13342	23.0
357.18710	29.2
358.13898	1.6
358.18872	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1331
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
53.03941	3.1
55.01876	29.2
65.03948	7.2
69.19080	3.5
69.19482	21.8
79.05482	8.8
81.07055	8.7
91.05485	11.8
93.03420	6.9
93.07028	5.6
93.26327	2.9
94.04196	10.9
95.04982	5.6
96.44833	3.3
103.05470	8.2
105.07049	9.3
107.04921	3.7
109.06506	2.6
111.04465	5.9
113.20354	2.8
115.05479	9.6
117.03384	5.3
119.04958	5.1
121.06515	4.7
122.03635	26.4
131.04942	8.5
133.06508	3.8
137.05978	100.0
143.04926	4.2
144.05702	3.5
145.02946	5.0
146.03650	8.7
147.04453	7.6
149.06017	5.5
151.04015	6.0
155.04927	6.1
159.08047	3.3
160.05254	4.9
161.05968	23.6
162.03119	3.9
162.06818	8.4
163.07545	4.2
165.05496	42.1
165.06847	5.7
172.05238	3.3
175.07581	7.7
177.05493	15.9
177.06889	4.3
178.07785	8.0
179.08549	6.9
180.09183	3.2
181.06430	3.4
183.04427	4.0
185.06021	3.6
187.07526	7.7
189.07002	16.9
190.07768	18.5
191.07030	3.6
191.08591	24.9
193.06520	3.6
202.07898	4.8
203.07057	7.1
205.06558	7.9
205.08406	4.0
206.07283	6.8
207.08047	20.2
208.08769	7.3
209.09534	3.3
211.07559	4.0
215.06958	15.9
217.06525	6.0
218.07272	36.9
219.08052	45.7
220.08786	9.4
221.06018	9.0
223.07558	6.5
229.06430	4.9
230.07164	3.4
231.08017	3.9
234.06737	14.5
235.07526	31.2
236.08200	12.6
237.09158	4.3
243.08142	3.3
245.06015	3.6
246.06763	32.7
247.07556	35.2
248.08255	10.0
249.09109	13.7
250.06326	3.9
251.07022	7.3
251.10622	4.5
252.07832	3.8
257.06085	9.5
258.06805	3.5
259.07639	5.0
261.09100	35.1
262.06305	6.8
262.09915	2.8
263.07031	24.6
264.07800	16.2
265.08615	6.8
267.10165	5.1
274.06287	17.7
275.07199	17.7
276.07816	5.8
277.08551	19.2
278.09433	6.3
279.10178	15.5
289.08560	35.5
290.09232	6.9
291.06598	5.8
292.07312	7.5
293.08075	7.0
293.11240	3.1
294.08856	7.2
295.09622	10.4
306.08917	11.0
307.09650	77.9
308.10156	4.7
309.07877	4.4
309.11053	15.3
311.12790	3.6
321.11157	48.4
322.11475	4.0
324.68048	3.3
327.12241	21.3
339.12338	29.9
340.12503	6.1
357.13260	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1696
Annotation	Juglanin A
Peak:m/z	Relative Intensity
57.02358	0.4
69.16891	0.8
69.17297	2.7
76.31311	0.4
78.04681	0.8
79.05465	0.6
81.07057	0.4
84.31703	0.4
91.05479	4.7
93.07029	0.5
94.04153	0.5
95.04980	0.6
95.08595	0.5
98.23449	0.5
103.05475	0.6
105.03371	0.7
105.07045	0.8
106.04155	1.4
107.04965	0.7
109.06530	0.5
116.06233	0.8
117.07015	0.7
119.04950	2.6
120.05762	0.8
121.06524	3.3
122.03615	1.1
123.04399	0.9
124.05286	0.6
125.06039	0.6
128.06218	1.2
129.06998	0.4
130.07806	0.4
131.04842	0.5
131.08575	4.9
134.03613	1.7
137.04964	0.9
137.05966	11.4
138.06404	0.5
139.07500	1.1
141.06998	0.9
143.08537	3.4
144.05702	1.1
145.06462	1.9
145.10150	0.6
147.04385	1.1
148.05154	0.9
149.05965	1.0
150.06740	0.7
151.03879	2.1
151.07542	6.3
152.04672	1.7
153.05470	0.4
157.06483	0.5
158.07262	1.2
159.08057	16.4
160.08458	0.7
161.05977	4.2
161.09668	0.9
162.06721	0.7
163.11191	0.5
165.05540	0.5
165.09116	1.8
166.06252	5.4
167.07042	18.8
168.07497	0.7
169.06451	2.4
171.08049	4.8
172.08699	0.5
173.06003	1.0
173.09616	1.6
175.07591	0.7
176.08362	2.7
177.09134	1.9
180.32526	0.4
181.08595	26.7
182.08919	0.7
186.06795	1.3
187.07541	4.8
188.08333	7.6
189.05466	7.6
189.08792	0.7
191.10652	9.1
195.10176	2.0
201.09128	4.9
202.09744	0.5
203.10686	12.2
204.07822	47.2
205.08185	2.9
211.07607	0.5
219.10164	100.0
220.10504	5.5
223.07570	0.5
224.08334	0.5
233.11671	1.3
252.07796	0.6
267.06415	0.7
268.07303	1.0
269.07986	1.0
283.09644	0.6
295.09659	1.6
299.09177	0.6
311.09161	0.7
315.08624	1.0
325.10559	1.3
326.11160	0.7
357.13168	2.7
357.16971	5.5
358.10208	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62035	1.2
53.03943	1.5
55.01870	2.0
69.80872	3.3
69.81277	2.7
72.69086	1.2
76.49693	1.2
78.04688	2.1
79.05490	10.0
81.07047	1.3
91.05468	13.1
93.07066	2.5
95.04980	3.8
103.05468	9.2
105.07026	13.6
106.04185	2.3
107.04956	62.8
107.08576	1.7
108.05284	1.5
109.06532	1.8
115.05453	9.6
117.07023	8.3
118.04178	5.6
119.04926	6.5
119.08559	1.9
121.06510	11.6
123.04442	4.2
124.05259	2.1
125.05933	1.7
128.06223	21.6
131.04938	2.4
133.06497	29.7
134.03651	2.6
135.08054	7.7
137.05957	10.8
143.08554	23.0
144.08942	1.5
145.06502	14.5
146.07275	10.3
147.04433	3.4
147.08034	2.1
149.05972	2.5
150.06764	2.7
151.03896	3.2
151.07536	7.0
152.04750	3.1
152.06134	1.6
153.07040	1.7
155.05989	1.4
159.08069	2.1
160.05176	1.4
160.08858	1.8
161.05994	9.5
161.09639	13.3
162.06738	7.5
162.09900	1.2
163.03868	7.5
163.07536	43.3
164.07954	3.0
165.09103	10.4
166.06268	3.8
167.07039	38.4
171.08040	31.4
172.08562	2.2
173.06001	5.3
174.06699	1.9
175.07570	15.1
175.11162	3.3
177.05489	1.2
177.09067	5.9
178.06247	20.3
178.07733	1.3
179.07065	12.9
179.08488	2.6
180.07712	1.4
181.08597	23.2
181.10127	2.2
187.07591	3.6
188.08325	33.4
193.08594	22.8
193.10211	2.3
194.09354	7.7
195.08333	2.3
195.10172	9.3
201.09090	2.6
203.10670	100.0
204.11057	5.1
207.08102	2.8
209.06018	2.5
211.07564	3.4
213.09145	1.3
217.08217	1.4
219.23189	1.5
222.06439	1.6
223.07571	3.1
224.08374	3.9
225.09212	1.7
227.06911	1.6
233.09669	2.1
233.11797	4.7
235.07541	4.7
236.08289	2.6
237.05484	3.5
238.06247	1.8
239.07074	1.9
239.10689	2.3
240.08029	1.3
249.05525	1.6
250.09991	1.6
251.07040	3.8
251.10648	1.5
252.07750	7.0
253.08630	4.2
254.09216	1.5
255.10054	1.4
263.07043	2.4
264.07867	3.0
265.04913	1.5
265.08615	2.9
265.12256	3.4
266.05945	1.5
266.09232	2.1
267.06635	3.6
267.10153	11.8
268.07440	1.5
268.10605	1.7
269.08142	3.2
270.05270	1.6
270.08691	1.3
279.06805	1.2
280.07303	2.2
281.08041	3.9
282.08804	3.7
283.09592	5.0
284.10303	1.7
293.08344	1.7
293.11728	5.5
294.12143	1.9
295.09619	13.1
296.07278	1.8
296.10403	5.0
297.07629	2.0
297.11279	3.4
297.14807	2.1
299.08807	1.5
299.12567	1.9
310.08029	2.1
311.09116	4.4
311.12534	1.5
311.16403	1.4
313.07153	3.0
313.10580	2.9
314.07761	1.6
315.08734	1.9
315.12201	1.5
325.10690	17.4
325.14355	7.0
326.11374	6.9
326.14758	2.0
327.08640	2.7
327.12286	11.5
328.09393	3.0
328.12927	2.5
329.10104	2.4
339.15738	2.9
342.11084	2.8
357.13235	21.0
357.17062	15.2
357.21085	2.2
358.13641	2.0
358.17578	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1698
Annotation	Cryptopyranmoscatone B1
Peak:m/z	Relative Intensity
53.03941	2.7
55.01863	3.8
55.05516	21.6
57.07067	1.1
66.78042	1.0
67.01888	0.8
67.05491	2.9
69.03428	5.0
69.07073	1.5
69.95692	3.6
71.04983	3.2
76.97485	1.0
76.97923	0.8
79.05488	4.6
81.03413	1.3
81.07075	4.8
83.04986	100.0
83.08638	1.0
84.05312	2.4
84.54018	0.9
85.06567	1.3
91.05491	6.2
93.07063	5.0
95.04976	5.1
95.08601	3.3
97.02874	6.8
97.06521	0.9
99.04461	12.1
103.05483	1.7
105.07045	5.3
107.04950	1.3
107.08611	4.3
109.02882	3.6
109.06528	3.7
109.10142	1.8
111.04449	29.6
113.78121	1.0
115.05428	2.1
117.06998	2.7
119.04948	2.0
119.08580	7.1
121.06466	3.9
121.10138	1.8
123.04480	5.5
123.08098	1.4
125.05968	1.6
128.06219	2.2
129.07007	3.3
131.04947	1.0
131.08553	3.3
133.06464	2.2
133.10150	3.2
135.04420	2.1
135.08080	2.3
135.11661	1.3
137.05956	8.8
141.07025	1.8
142.07819	2.3
143.08542	4.8
144.09264	1.1
145.06508	3.6
145.10118	2.1
147.04416	2.4
147.08043	11.2
148.08681	0.9
149.05986	2.4
149.09586	3.0
149.13281	1.0
151.03922	3.5
151.07516	1.9
153.06982	1.2
154.46367	0.9
155.08513	2.1
156.09357	2.8
157.06479	1.1
157.10126	3.8
158.10901	1.3
159.08051	5.6
159.11729	3.0
160.08778	1.0
161.05998	3.0
161.09647	2.9
162.10371	4.5
163.03876	1.5
163.07541	3.6
163.11157	2.0
164.12059	1.2
165.05522	2.4
165.06932	1.7
165.09128	1.9
167.07210	1.1
167.08537	1.9
169.06444	1.2
169.10138	2.1
170.10664	1.5
171.08026	2.0
171.11696	3.2
172.08803	1.8
173.05975	1.9
173.09625	3.7
173.13181	2.1
175.07529	4.1
175.11230	1.5
176.08165	1.3
177.05486	1.0
177.09077	1.9
179.07114	1.1
179.08583	1.6
181.10135	3.3
183.08083	1.2
183.11711	2.9
184.08748	1.4
185.09596	6.8
185.13269	1.3
187.07556	1.3
187.11180	5.0
189.09146	3.2
190.09883	10.8
191.07024	1.8
191.10629	2.2
193.10094	1.6
195.08076	2.8
195.11734	1.2
196.08784	3.2
197.05922	1.4
197.09676	2.0
199.07579	1.8
199.11168	9.3
200.11732	1.2
201.05499	1.8
201.09026	1.1
201.12752	3.8
203.06891	1.2
203.10712	4.6
204.06584	1.8
205.08582	8.6
207.10178	2.6
209.09575	4.9
210.10271	1.8
211.07550	1.2
211.11220	3.9
212.08435	2.1
213.09081	3.0
213.12840	2.4
215.10753	1.7
217.12181	1.3
219.06561	2.2
221.09715	1.1
222.10382	1.0
223.11154	2.6
225.12733	1.6
226.09787	1.3
227.10681	10.8
229.12216	4.1
235.11176	2.0
236.11859	1.4
237.09186	1.7
237.12640	2.5
239.10597	2.5
241.08527	1.3
241.12183	2.7
243.13947	1.6
245.11754	4.2
246.12483	1.2
247.13283	2.9
251.14284	3.6
252.11485	1.2
253.12193	0.9
255.10106	4.6
255.13782	3.2
257.11749	3.5
259.13382	2.8
261.12698	1.1
261.14954	7.8
265.16064	1.6
268.35709	1.0
269.12061	1.2
269.15356	2.4
273.11218	3.4
279.13928	6.2
281.11636	1.5
283.09476	2.0
283.16605	1.1
291.12433	2.1
293.15356	3.0
297.14838	12.9
299.12805	1.3
303.23459	1.2
311.16354	8.5
315.15897	3.8
321.14883	6.1
327.12387	1.3
329.17502	2.4
339.16010	12.1
357.13062	3.8
357.17319	16.6
358.17102	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.315
Annotation	(-)-Ceriferol 1
Peak:m/z	Relative Intensity
53.03959	2.2
55.05510	19.5
57.07074	7.6
63.47409	2.5
67.05508	30.5
69.07072	37.9
69.41644	15.3
70.06590	6.3
71.08646	3.5
78.73203	2.5
79.05496	17.4
81.07055	80.0
83.08617	16.5
88.07639	9.8
91.05486	19.5
93.07042	45.8
95.08606	100.0
96.08943	3.2
97.10159	9.2
102.09183	3.4
105.07037	39.7
106.08662	3.5
106.92198	2.7
107.08595	60.7
107.09290	4.6
109.10158	55.3
111.11717	3.4
117.07036	5.8
119.08588	45.1
121.10143	59.0
123.08089	4.6
123.11710	23.3
131.08562	15.1
133.10133	25.3
134.10347	2.5
135.11679	29.3
137.13271	4.4
143.08592	4.6
145.10106	18.6
147.11691	43.7
149.13261	21.5
157.10150	5.2
159.11668	15.2
161.13258	37.9
162.01076	2.4
163.14827	31.3
165.12775	11.5
171.11629	3.6
173.13249	16.0
175.14818	36.2
177.16379	27.6
179.14366	10.7
187.14789	15.5
189.16385	7.8
191.14313	4.3
191.17976	5.2
193.15916	5.5
199.14899	6.0
201.16374	8.0
203.18036	8.2
213.16443	7.1
215.17973	9.9
217.19456	7.7
227.17912	3.4
229.19522	9.0
243.21104	10.7
247.20767	4.5
255.21205	5.2
257.22672	8.8
267.10019	4.5
269.22693	7.0
275.23782	3.6
281.08456	2.6
283.24216	8.1
295.09216	3.5
298.21738	2.6
326.11304	6.3
339.26404	3.7
339.30515	67.9
339.34436	2.3
340.30783	7.7
340.35645	2.8
357.13254	3.5
357.27240	4.4
357.28442	2.8
357.31506	72.4
357.35602	19.3
358.31931	9.5
358.36615	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57444	1.7
61.97311	1.7
67.77715	1.7
68.97469	1.7
69.03418	2.5
69.83231	6.4
85.02901	2.3
97.02890	3.5
101.00907	9.8
104.08091	1.9
115.05474	1.8
119.01953	12.9
121.33893	1.7
123.06750	1.6
124.52426	1.9
131.01888	2.2
132.08125	5.6
134.06070	1.9
136.07608	5.4
143.01901	9.3
145.03499	3.3
147.06607	2.2
148.07620	13.9
150.09152	5.2
152.07111	3.4
155.01935	2.0
160.07607	13.4
161.02989	7.1
171.05128	2.2
173.01433	2.1
177.00972	5.4
178.01053	8.2
178.08643	24.3
178.10031	2.4
179.00793	3.0
185.02901	2.2
196.09702	32.5
201.00894	9.5
202.01109	3.8
215.02592	2.1
219.02078	17.6
220.02164	20.5
221.01765	13.5
233.03644	6.8
239.07629	7.5
240.16843	1.7
243.02055	3.0
244.02299	2.7
245.05118	6.4
246.03734	3.5
252.02754	3.0
254.04100	1.9
255.01987	4.7
257.03558	3.4
257.08795	7.4
261.03104	1.8
268.55984	1.8
270.03711	6.2
271.03244	2.7
273.03030	9.5
280.02289	2.4
288.75574	1.8
296.05231	1.9
299.03674	2.0
314.02658	2.6
315.06497	2.2
317.05804	2.3
318.76425	2.1
322.10397	2.3
332.27493	1.9
334.05350	3.1
334.10645	3.0
335.06787	6.3
340.04211	4.5
358.05389	3.9
358.09027	100.0
358.14957	32.6
359.05466	6.7
359.09058	7.4
359.15176	2.7
376.02432	2.1
376.06573	12.1
377.06088	3.9
377.12869	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93284	0.1
57.07085	0.2
67.05486	0.1
70.06596	0.2
85.99829	0.1
88.14799	0.2
98.23466	0.3
107.08624	0.2
115.05482	0.2
128.06256	0.4
129.09128	0.6
135.69069	0.2
139.05424	0.3
140.06195	0.6
141.07019	0.3
152.06230	1.2
153.06795	0.2
155.02728	0.1
155.04871	0.3
165.06995	0.3
167.05014	0.2
168.05721	2.0
169.06436	0.8
170.07132	0.2
177.16731	0.1
180.05699	2.2
181.06372	0.3
182.07036	0.2
183.04411	0.9
183.07901	0.3
184.05109	0.4
193.06500	0.2
195.04350	0.2
195.07814	0.3
196.05225	1.9
197.05937	1.4
198.06743	1.8
199.03879	0.6
199.07423	0.2
200.04668	0.2
201.05447	0.2
208.05186	1.4
209.05872	0.5
210.06680	0.4
211.03908	3.1
211.07390	1.0
212.04620	1.1
212.07803	0.3
213.05414	0.5
214.06158	1.0
215.03627	0.2
215.06801	0.2
222.06425	0.2
223.07323	0.4
224.04651	1.4
225.05464	3.1
226.06227	13.1
227.03365	0.6
227.06564	1.0
228.04095	0.3
229.04845	0.7
236.04678	5.0
237.05293	0.6
238.06261	0.2
239.03381	4.7
239.06848	1.0
240.04109	2.2
240.07407	0.7
241.04945	1.2
241.08327	0.7
242.02039	0.2
242.05635	0.9
243.02859	0.4
243.06483	0.6
244.06827	0.3
251.06749	0.3
252.04173	0.3
253.04941	1.2
253.08429	0.2
254.05722	26.7
255.06172	3.5
256.03647	1.1
256.07132	0.3
256.26263	0.4
257.04434	14.7
258.04791	1.3
264.04227	0.5
265.04953	0.3
267.02826	0.4
267.06482	0.6
268.03540	0.4
268.06973	0.8
268.10147	0.1
269.04602	0.3
269.07684	2.2
270.05051	0.6
270.08447	0.2
271.05994	5.9
272.06564	3.1
273.07278	0.5
279.06332	0.2
281.04425	0.3
282.05203	8.6
283.02341	0.4
283.05789	1.8
284.06604	0.4
284.09735	0.3
285.03879	3.8
285.07391	1.2
286.04617	1.9
286.07947	0.5
287.05035	0.2
296.06622	0.3
296.09811	0.2
297.07327	2.1
298.08084	0.5
299.05396	0.7
299.08981	0.7
300.06262	35.3
301.06949	11.2
302.07510	0.7
312.09393	0.5
313.06931	0.5
314.07281	0.2
315.08594	100.0
316.08987	9.5
325.06958	0.4
326.07520	0.2
326.11121	0.4
327.08411	0.6
327.11813	2.0
328.05469	0.2
328.09030	0.4
328.12497	0.3
329.09952	0.3
330.10477	2.4
335.15283	0.3
341.09830	0.2
343.07880	2.7
343.11551	0.3
358.10233	15.5
358.32977	0.6
359.10748	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98235	26.1
59.00695	26.6
70.06592	94.1
71.28470	27.2
71.28882	42.5
79.59029	27.5
79.85294	22.7
84.08147	36.0
98.26600	26.7
105.07043	100.0
112.61351	27.7
122.09635	47.4
127.31857	26.3
131.07031	33.6
137.05894	32.7
147.04391	35.9
151.41750	27.2
163.03893	39.3
164.04224	31.2
219.02051	29.3
346.70187	26.9
358.25186	47.6
359.07306	59.6
359.13141	80.8
361.68359	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.074
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	6.7
70.06586	11.0
71.28625	5.6
75.77367	4.2
81.03429	6.5
84.08118	5.8
84.86532	4.1
85.02898	14.4
86.09695	9.9
91.05469	4.7
97.02927	6.3
98.97588	7.2
101.00890	13.2
108.08107	39.9
118.95551	4.3
119.01886	22.1
119.04961	11.1
119.95687	5.6
121.02875	5.7
127.03915	6.1
131.01929	15.7
134.06004	9.6
136.07657	5.7
137.05995	33.8
143.01862	7.8
145.03465	6.8
147.04417	19.5
152.07059	41.3
155.01906	9.2
160.99654	5.4
161.02908	12.9
163.03917	9.2
173.02979	8.9
177.00975	19.3
178.01157	6.4
178.60411	4.6
179.00653	39.7
179.06813	9.5
185.04355	8.1
191.02312	5.8
191.07536	4.4
196.09694	7.9
197.02820	6.2
197.04440	6.8
197.07851	24.0
197.09515	8.4
201.00961	13.9
203.00732	10.1
203.02513	11.9
215.02370	6.4
219.01990	46.8
219.03844	5.7
220.02010	10.4
221.01735	84.2
221.04942	7.4
222.01859	6.4
229.02333	5.7
233.03609	15.5
239.07634	8.7
243.01909	25.6
245.05196	5.6
253.02293	12.8
255.01794	10.0
255.04007	12.1
257.03583	5.7
261.03036	33.6
271.03436	10.0
273.02863	6.4
273.05273	6.2
281.01782	22.7
299.02960	17.4
314.12354	13.5
315.02283	5.6
316.94998	17.3
317.01938	14.9
323.02707	8.8
334.95828	10.1
335.06662	11.6
341.03870	23.1
359.07776	100.0
359.13348	36.9
360.07623	5.4
377.05966	55.9
378.06165	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20572	2.3
52.25860	2.2
56.96575	6.6
70.06593	5.5
71.29292	2.8
72.08157	4.7
84.08151	11.7
86.09717	8.2
91.05470	3.2
107.05004	3.5
117.07055	3.1
123.04446	6.4
129.10249	7.7
135.04404	3.2
137.05956	14.9
138.48151	2.4
147.04457	5.0
149.05984	3.8
161.05998	3.8
163.07536	5.7
165.06952	3.5
173.06029	2.5
175.07594	10.7
179.06989	3.8
190.08643	6.0
191.07004	19.0
197.02194	17.2
197.07874	29.1
205.08672	3.1
208.09700	33.2
215.02214	4.9
233.03256	2.6
265.08694	3.0
279.10187	7.0
297.11157	4.6
299.12839	6.2
311.12729	7.1
359.07428	15.3
359.13132	100.0
360.14203	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38648	0.1
55.01859	0.2
57.03410	0.1
68.99785	0.2
75.04446	0.1
85.02874	0.4
87.04445	0.1
95.08566	0.1
105.07004	0.2
115.05430	0.2
128.06166	0.2
129.06970	0.1
133.06491	0.1
139.05455	0.2
141.06960	0.2
152.06203	0.5
153.06989	1.2
154.07730	0.5
155.08522	0.5
156.05573	0.1
157.06479	0.2
158.07198	0.3
165.06995	1.6
166.07834	0.9
167.04906	0.1
167.07254	0.2
167.08531	1.1
168.05646	0.2
168.09212	0.2
169.06435	0.7
169.10092	0.2
170.07233	0.7
171.04405	0.1
171.08037	0.6
173.09610	0.2
176.06149	0.1
177.06984	0.4
178.07718	0.7
179.04822	0.1
179.08583	1.3
180.05751	0.2
180.09251	0.1
181.06462	2.6
181.10098	0.3
182.07248	2.1
183.08011	1.8
184.05255	0.2
184.08781	0.4
185.05997	1.3
185.09624	1.1
186.06670	0.3
191.08543	0.2
192.05690	0.3
193.06499	0.7
194.07257	1.5
195.08040	3.5
196.05191	0.3
196.08812	2.7
197.05951	1.0
197.09598	3.0
198.06758	3.5
198.10007	0.3
199.03865	0.7
199.07515	1.7
199.11153	0.2
200.08133	0.3
201.05388	0.2
201.09055	0.4
205.06429	0.4
206.07172	0.4
207.08028	0.9
208.05179	0.4
208.08812	0.9
209.05959	2.4
209.09560	1.3
210.06737	3.4
210.10277	0.4
211.07530	4.4
211.11200	0.3
212.04735	0.2
212.08290	2.1
213.05507	0.5
213.09085	7.8
214.06343	0.6
214.09749	1.3
215.06981	0.8
215.08897	0.1
215.10641	0.5
216.09351	0.1
219.07990	0.2
220.05148	0.2
221.05928	1.1
221.09367	0.1
222.06750	2.1
223.03877	0.3
223.07532	4.2
224.04626	0.3
224.08311	5.1
225.05835	1.2
225.09081	12.8
226.06252	4.4
226.09770	4.1
227.07019	4.3
227.10535	1.8
228.07640	0.7
228.11234	0.2
229.05151	0.3
229.08568	5.4
230.08957	0.5
232.08803	0.2
234.06795	0.4
235.07516	1.3
236.04575	0.4
236.08282	1.7
237.05460	3.0
237.09071	2.1
238.06238	4.5
238.09795	0.9
239.03323	0.3
239.07001	5.6
239.10651	3.9
240.04175	0.2
240.07755	4.2
240.11401	2.0
241.04715	0.6
241.08575	22.1
242.09312	11.0
243.06505	2.6
243.10040	1.2
244.06792	0.3
249.05515	0.2
249.09155	0.2
250.06203	0.9
251.07027	4.8
251.09671	0.2
252.04086	0.2
252.04625	0.2
252.07773	6.4
253.05011	0.8
253.08572	15.1
254.05721	4.3
254.09254	3.8
255.06509	4.1
255.10135	5.6
256.07065	0.8
256.10870	2.4
257.07986	0.8
257.11670	2.3
258.05328	0.1
258.05936	0.1
258.08722	1.2
262.83606	0.1
263.07062	0.6
264.07748	0.3
265.04950	0.5
265.08554	2.1
266.05740	5.4
266.09302	1.9
267.04053	0.2
267.06534	4.9
267.10150	14.4
268.07281	3.2
268.10892	8.3
269.08075	31.0
269.11316	1.8
270.08807	18.9
271.05988	3.0
271.09314	2.3
271.13211	0.8
272.06418	0.5
273.11243	0.3
275.10617	0.1
278.05829	0.2
279.06534	0.8
279.09583	0.2
280.07297	1.8
281.08063	52.6
282.05237	2.5
282.08649	8.5
283.05991	2.5
283.09625	6.9
284.06863	1.0
284.10382	17.1
285.07709	1.7
285.11130	13.0
286.04932	0.2
286.08289	6.6
286.11401	0.7
287.08676	0.7
288.07797	0.2
288.10934	0.1
293.08170	0.7
294.08875	1.1
295.06067	0.3
295.09604	5.8
296.10397	46.3
297.07547	18.9
297.10944	6.3
298.08231	6.2
298.11847	0.8
299.05527	0.9
299.09091	2.3
299.12766	10.5
300.06204	0.2
300.09848	0.3
300.13147	0.9
301.07590	0.3
301.10629	5.8
302.10986	0.5
309.11224	0.3
310.11990	1.1
311.09113	4.1
312.09894	37.0
313.10645	52.9
314.07794	1.5
314.11047	4.6
315.09796	0.5
315.13370	0.3
316.10660	0.4
325.10803	0.2
326.11423	0.9
327.12234	100.0
328.12961	66.8
329.10165	13.7
329.13513	5.3
330.10226	1.1
331.12534	0.4
343.12790	0.1
344.12524	16.4
345.12720	1.4
359.14908	55.7
360.15201	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1488
Annotation	Prestegane B
Peak:m/z	Relative Intensity
53.03939	2.1
53.17426	1.4
55.01869	6.1
61.13330	1.4
62.01635	1.7
62.57334	1.3
65.03939	4.2
67.05473	1.8
68.27777	1.3
69.03421	2.2
69.32125	10.5
73.02920	4.6
79.05483	6.4
81.07050	3.8
85.02907	5.4
91.05479	19.9
93.03403	4.3
93.07042	2.0
94.04166	2.6
95.04974	3.1
103.05470	9.1
105.07031	8.1
107.04965	8.4
109.06509	4.2
111.04466	2.0
115.05447	2.2
117.06989	2.1
119.04954	19.0
121.06525	4.2
122.03661	6.5
122.07314	1.7
123.04391	3.6
125.05988	4.4
128.06216	1.9
129.06993	3.3
130.04221	1.9
131.04918	10.3
131.08577	2.5
133.06468	5.8
135.04434	2.4
135.08017	2.8
137.05978	100.0
138.06297	2.3
141.05499	1.9
143.04898	1.9
145.06465	2.8
146.03622	1.7
147.04410	17.4
147.08092	2.6
149.05969	12.6
150.52238	1.5
151.03923	33.1
151.05028	3.1
151.07559	11.3
153.05467	11.5
157.06578	1.7
159.08109	2.8
161.05986	19.9
161.09648	2.6
162.06798	7.2
163.03899	5.5
163.07544	15.2
165.05518	4.5
165.07034	1.9
167.08601	1.4
172.05177	2.1
174.06708	2.3
175.07562	15.5
177.05447	2.6
179.07016	11.5
179.08499	2.6
180.07704	1.7
181.04939	2.9
187.07567	11.2
189.05457	8.2
189.09093	4.7
190.07791	1.7
191.07060	3.2
191.08566	3.0
193.08514	3.5
197.11621	2.3
205.08669	7.5
206.07256	1.8
207.08261	1.6
207.10127	3.4
209.08159	1.6
209.09885	1.7
217.08612	4.4
219.08014	4.2
219.10014	2.4
225.09058	2.5
231.08040	2.9
235.07545	2.7
235.09648	2.2
237.09114	3.0
247.07556	3.4
251.07275	1.9
251.10701	4.4
253.08568	2.7
259.07364	2.3
263.10486	1.9
265.08643	2.6
267.10049	2.1
268.07272	2.3
270.08841	3.1
272.10480	1.6
279.10129	4.8
281.08179	2.4
283.09653	4.5
283.13126	2.1
285.11237	1.9
291.10172	2.5
296.10437	2.5
297.11169	1.7
299.12723	5.0
303.08774	2.2
309.03027	1.9
309.11166	4.2
311.12671	6.0
313.10773	4.2
323.12564	1.9
327.12192	9.0
329.13809	5.7
341.13818	5.4
359.16977	42.1
360.16962	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1488
Annotation	Prestegane B
Peak:m/z	Relative Intensity
55.01872	8.8
55.05515	7.4
65.27008	6.8
67.05524	9.6
69.01994	43.1
69.02408	21.4
69.07089	8.7
72.08192	6.5
73.02931	12.5
79.05512	15.6
81.07054	24.6
93.07063	14.8
95.08601	20.6
103.05441	24.7
105.07025	15.8
107.05003	7.0
107.08552	11.7
109.10127	9.5
121.10139	6.6
131.04951	16.5
133.06470	19.9
135.04425	100.0
137.05974	30.0
148.05205	31.3
149.13280	13.5
151.03909	7.5
151.07500	7.9
161.05960	21.6
163.07556	41.5
164.74936	6.4
166.71729	7.0
173.01045	7.6
175.07655	6.7
180.17435	7.3
181.09753	8.1
189.05505	7.3
189.74005	6.9
194.76703	6.2
219.08195	8.4
240.07903	7.8
244.01942	9.0
250.79553	6.7
253.08646	10.5
266.08969	8.1
270.08978	9.6
287.12744	31.8
299.12671	9.7
306.74362	8.1
313.10641	26.7
313.14090	10.6
327.12085	24.4
341.13831	15.8
359.14828	24.7
359.21964	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.2
65.03934	1.7
67.05497	2.7
68.64068	1.2
68.99802	2.0
70.06598	2.4
71.29076	1.2
71.29497	1.6
72.08141	8.1
79.05498	5.7
81.07064	2.6
86.09711	2.9
91.05466	18.1
93.07059	4.0
94.04169	2.5
95.04986	5.2
95.08604	2.1
103.05460	7.7
105.07046	7.7
107.04957	3.9
107.08553	2.0
109.06527	5.5
115.05448	14.2
117.07005	11.4
119.04945	7.9
119.08618	1.4
121.06503	9.5
122.03648	7.3
123.04418	17.6
125.06018	2.1
128.06184	1.6
129.06969	1.9
131.04915	3.7
132.05772	1.7
133.06473	5.6
135.04422	3.0
135.08026	7.2
136.07561	2.1
137.05969	100.0
138.06337	3.4
143.04921	9.1
145.06461	5.9
146.03584	4.8
147.04407	12.2
147.08022	9.7
149.05988	14.0
151.03914	5.9
151.07556	4.6
153.05495	4.4
153.06918	1.5
154.41432	1.5
155.04921	1.7
156.70087	1.3
160.05196	13.0
161.05977	23.7
162.06801	6.7
163.03902	4.0
163.07521	36.6
164.07944	1.5
165.05505	4.8
165.07014	9.7
166.07776	4.0
167.07036	2.6
172.05255	2.0
173.05939	7.8
174.06738	2.1
175.07538	53.7
176.07895	1.9
177.06905	2.7
177.09073	3.6
178.07724	6.4
179.07027	10.0
179.08556	12.4
181.06425	3.9
182.07278	2.4
187.07518	8.9
189.06984	1.9
190.08849	9.0
191.07024	39.7
191.08582	10.8
193.06519	4.9
194.07254	12.3
195.08089	3.6
202.07970	1.8
203.06886	2.2
205.06473	6.0
205.08615	12.9
206.07201	3.4
207.08061	13.0
208.09711	76.0
209.09689	4.6
210.06813	4.1
211.07550	3.9
218.07269	2.3
219.08037	23.4
220.08723	4.0
221.06055	9.1
221.09630	2.5
222.06700	8.6
223.07529	4.0
224.08232	5.7
225.09067	6.8
227.06998	2.8
231.08072	1.6
233.05997	2.8
234.06683	1.9
235.07576	11.7
236.08308	8.4
237.05545	2.0
237.09056	8.4
239.06975	3.6
239.10623	9.9
247.07487	11.5
248.08179	5.4
249.09071	4.6
250.06244	3.6
251.06892	2.5
251.10721	11.2
252.07870	3.3
253.08598	9.1
255.06610	2.0
263.10474	1.8
264.07800	5.7
265.08597	28.7
266.09085	3.9
267.10056	12.9
268.10492	2.1
269.08026	4.0
269.11700	1.4
279.10153	34.4
280.07504	1.3
280.10483	6.4
281.08029	3.8
282.08887	2.8
284.10419	2.5
285.11237	16.5
291.10175	2.3
295.09717	9.5
296.10394	2.0
297.11157	29.1
298.11493	2.6
299.12753	52.2
300.13071	3.2
309.11200	5.6
310.11884	8.0
311.12750	49.8
312.12933	3.9
315.12280	3.8
323.12656	1.7
325.10666	3.2
327.12228	5.1
329.13824	17.1
341.13712	6.7
342.13361	2.7
343.11691	3.0
348.15540	1.4
359.16278	32.5
360.14145	17.7
370.47662	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1489
Annotation	Jamesoniellide E
Peak:m/z	Relative Intensity
53.03951	1.1
55.01866	1.7
55.57876	0.5
65.03943	15.4
65.04287	0.9
66.91390	0.4
67.05505	2.9
68.99804	0.6
69.15482	3.2
69.67134	0.4
71.01366	0.4
72.68404	0.3
74.20513	0.4
77.03934	0.9
79.05495	2.0
81.07053	0.8
85.02909	1.7
89.03919	0.7
91.05483	7.2
93.03407	18.6
93.07038	1.5
94.04202	1.2
95.01359	0.5
95.04972	2.3
103.05464	2.5
105.04532	0.8
105.07042	5.7
107.04973	2.3
107.08589	2.4
108.02082	3.9
109.02910	0.4
109.06532	1.4
110.03671	2.1
111.04437	13.9
112.04765	0.5
115.05476	1.5
117.03396	1.0
117.07029	1.5
118.04131	0.5
119.04937	2.7
119.08582	0.8
120.05730	0.9
121.02879	0.5
121.03949	0.7
121.06487	1.9
121.10137	0.7
122.03614	2.5
123.04475	1.0
123.08061	1.2
125.05997	18.5
128.06242	1.2
129.06979	3.5
131.04913	2.9
131.08571	1.2
132.05705	0.4
133.06479	1.9
133.10115	2.1
134.03659	0.7
135.04416	0.7
135.08055	7.3
135.09076	0.6
136.01590	0.5
136.05153	1.0
137.05969	26.3
138.06349	1.0
141.05437	3.4
141.07036	0.6
145.06482	1.0
146.03650	1.6
146.07274	1.4
147.04390	1.1
147.08076	1.1
148.05165	1.8
149.02342	5.4
149.04872	0.8
149.05984	7.1
150.03214	0.5
151.03915	100.0
151.05023	13.2
151.07510	12.4
151.11241	0.6
152.04254	3.6
152.06303	0.6
152.07890	0.5
153.05466	33.4
154.05800	1.4
157.06468	2.6
158.89262	0.4
159.04501	0.5
159.08159	0.8
161.05977	31.9
161.09616	7.7
162.06406	1.5
163.03900	4.9
163.07542	9.8
165.05502	12.1
165.06992	2.7
165.09143	1.4
167.07042	0.8
167.08539	1.2
167.10696	1.1
174.06706	2.4
175.07579	3.3
177.05450	2.8
177.09126	1.7
178.06261	1.0
178.07813	1.9
179.06946	0.5
179.08441	0.7
179.10680	0.7
181.04965	2.0
181.06537	1.2
181.08630	1.6
182.07228	0.9
183.07899	0.6
185.05952	0.4
187.07590	0.5
189.05550	1.1
189.09105	23.0
189.85594	0.3
190.09479	1.4
191.07027	11.3
191.08662	0.9
192.07507	0.5
193.06609	1.3
193.08624	12.9
193.10185	2.7
194.07329	0.9
195.08119	2.2
195.10201	6.4
197.05974	1.0
197.09723	0.8
197.11720	6.6
198.12004	0.5
202.07822	0.8
203.06947	0.7
203.08603	1.1
205.06442	0.6
206.07159	0.6
207.08170	1.5
207.10135	17.6
208.10509	0.9
209.05974	1.4
209.07841	0.6
210.06720	3.3
211.07532	3.4
211.09447	0.6
212.08134	0.7
217.08606	1.8
219.08018	0.8
220.08844	0.7
221.06079	1.9
221.09613	4.6
222.06731	0.7
222.10229	0.4
223.07561	2.0
224.08279	3.1
225.05583	0.6
225.09065	6.4
226.09384	0.4
227.07001	1.6
227.10744	1.5
231.08043	1.2
232.08804	0.6
233.06303	0.4
234.06853	0.5
235.07501	0.9
235.09601	5.5
235.11716	0.5
237.05501	0.6
237.09128	1.8
238.06293	1.6
238.09818	0.9
239.07014	3.3
239.10654	1.0
240.07805	1.7
241.08617	0.6
247.07614	0.9
248.08307	2.1
249.09100	3.6
250.06291	0.5
250.09807	0.8
251.07112	0.8
251.10739	1.0
252.07864	1.4
253.08592	6.2
253.12271	3.8
254.09082	0.9
255.04243	0.4
255.06439	2.3
255.10092	2.1
256.07141	0.7
259.07556	0.4
263.07089	0.6
263.10718	1.4
265.08646	2.2
266.09454	1.2
266.59109	0.4
267.06476	0.7
267.10138	1.8
268.07236	0.7
269.08188	1.3
270.08896	2.7
271.09604	0.9
272.10577	0.7
276.07837	1.4
277.08643	1.0
281.08124	1.6
281.11737	6.6
282.08838	1.8
282.12057	0.8
283.09689	2.4
284.10410	0.7
285.08060	0.5
285.11200	8.6
286.11356	0.6
287.12766	3.0
291.10120	4.0
292.10846	1.3
293.07892	0.4
294.08844	0.6
295.09677	1.7
295.13315	0.4
297.11191	3.4
298.08441	0.8
298.11877	1.0
299.08981	1.3
299.12433	0.8
300.09851	0.6
308.10434	1.0
309.11240	2.7
310.11841	0.5
312.10101	0.5
313.10678	11.3
313.14377	10.2
314.11163	1.0
314.14709	0.9
323.12701	2.5
327.12131	0.7
331.15353	3.5
341.13812	13.6
342.14203	1.2
359.14877	45.2
360.15186	4.7
360.21909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.9
57.50735	2.6
69.13895	24.3
79.05490	5.7
79.64024	2.9
81.07055	4.2
91.05497	15.8
94.04149	3.5
95.04943	3.4
103.05485	7.4
105.07036	6.9
107.04964	3.9
109.06535	5.2
115.05466	7.9
121.02927	3.4
121.06504	9.7
122.03661	5.8
125.05956	2.8
131.04904	5.7
133.06444	6.2
137.05971	100.0
142.69354	2.6
143.04958	3.9
146.03627	6.1
147.04414	8.1
149.05966	11.1
151.03906	11.9
151.07559	10.0
161.05971	44.5
162.06732	7.5
163.07564	8.1
165.07027	12.2
166.07780	8.2
175.07582	15.6
175.08809	2.6
177.07018	4.4
178.07809	9.1
179.07138	4.1
179.08575	11.3
181.06445	4.1
187.07533	5.7
189.07158	3.9
190.07803	11.1
191.08574	32.0
192.09279	3.2
193.06502	5.1
194.07272	20.3
195.08040	5.8
202.07777	3.3
203.08546	5.9
205.06506	12.7
206.07323	3.2
207.08125	14.4
207.09798	3.0
208.08879	5.6
209.06091	3.4
209.09486	3.5
210.06758	5.0
211.07539	4.7
218.07262	4.3
219.08055	49.9
219.10001	4.3
220.08762	10.8
221.05942	9.7
221.09610	5.0
222.06734	17.0
223.07573	3.2
223.11296	2.5
225.09128	5.3
231.08080	5.9
233.05884	3.8
233.09596	3.8
235.07607	11.4
236.08179	13.2
237.09154	21.4
239.06953	3.7
239.10698	8.8
247.07590	25.4
248.08305	9.1
249.09161	7.9
250.06195	6.2
251.06905	3.7
251.10632	25.1
252.08025	3.4
253.08559	4.7
263.07016	4.9
263.10556	3.5
264.07733	15.2
265.08600	54.6
266.09152	6.1
267.07056	2.9
267.10162	12.1
268.10605	3.6
269.07858	3.1
279.10153	92.6
280.10669	14.5
281.08099	6.0
282.08807	5.2
285.11346	4.2
291.10159	9.6
295.09671	23.9
296.10043	3.7
297.11209	69.4
298.11700	7.5
299.12839	38.2
300.13239	3.8
309.11334	7.9
310.11981	23.7
311.12769	83.6
312.13000	7.2
323.12912	3.5
329.13840	6.9
341.13742	29.8
342.14066	3.5
359.14877	10.7
377.01785	4.8
377.24014	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.149
Annotation	Negundin B
Peak:m/z	Relative Intensity
54.07492	1.5
55.01863	1.5
55.05516	2.3
57.03445	2.5
62.98927	1.4
64.42971	1.5
65.03939	7.9
67.05491	4.9
69.03404	2.3
69.07077	2.2
69.15061	4.6
69.15473	8.2
79.05483	3.6
81.03419	2.0
81.07048	7.0
83.04979	1.8
83.08578	1.4
84.43973	1.4
91.05495	7.6
93.07033	6.2
95.04967	4.5
95.08598	8.6
97.06529	2.9
98.22540	1.4
103.05463	3.9
105.07034	6.6
107.04933	11.0
107.08595	5.5
109.06530	4.0
109.10162	3.6
110.03648	5.2
111.04436	5.9
115.05465	3.3
117.07010	2.5
119.04964	2.9
119.08595	5.9
121.02078	2.8
121.02859	26.9
121.06487	4.9
121.10168	2.4
123.04390	3.7
125.05978	7.0
128.06238	2.9
129.06972	3.0
131.04945	2.1
131.08546	3.3
133.06508	2.9
133.10118	3.3
135.04407	3.1
135.08051	5.2
135.11713	1.8
135.74236	1.7
137.05989	7.2
138.02980	1.4
141.06943	3.8
143.08598	2.9
144.05687	1.8
145.06488	3.9
145.10086	3.2
147.04420	2.4
147.08072	2.9
149.02327	5.9
149.05952	4.5
149.09554	1.7
151.03914	3.5
151.07578	2.4
152.06241	3.2
153.05453	11.0
153.06902	3.3
153.23813	1.4
155.08453	1.5
157.06532	2.3
157.10110	2.3
159.08047	6.9
159.11670	1.9
161.05948	4.5
161.09596	4.8
162.06702	2.9
163.07487	4.1
164.08318	2.2
165.06996	7.6
166.07770	3.1
167.07008	5.6
167.08578	4.6
169.06511	4.2
169.10077	3.2
171.08000	2.6
173.06047	3.1
173.09613	2.6
175.07518	9.7
177.07060	1.8
177.09026	2.2
178.07776	4.0
179.08488	3.8
181.04945	12.1
181.06500	9.8
182.07292	7.5
184.05130	2.2
185.09605	2.4
187.07538	3.0
188.08238	2.3
191.08617	2.2
191.10651	1.6
193.06526	3.1
193.10167	3.6
194.07227	5.3
195.08031	12.3
196.08885	3.2
197.05966	9.2
197.09637	5.3
198.06757	3.0
199.07535	2.3
203.08566	2.4
203.14233	1.6
205.06613	2.0
206.07330	4.0
207.08028	5.3
208.08771	2.9
209.05983	5.2
209.09624	6.3
210.06738	12.3
211.07527	11.1
212.08311	5.9
213.09085	4.2
214.06354	1.8
217.08540	2.5
219.08170	3.0
220.08745	2.2
221.05971	2.7
221.09499	8.5
222.06772	3.5
222.10358	4.5
223.03906	1.7
223.07520	14.2
223.11089	3.1
224.04582	1.5
224.08310	8.9
225.05484	2.5
225.09100	13.1
225.12672	1.8
226.06119	2.4
227.07050	9.7
227.10669	3.9
231.08133	2.4
234.06755	2.3
235.07515	4.3
236.08206	2.3
237.05421	2.2
237.09056	7.7
238.06274	9.2
238.09894	10.1
239.07002	11.3
239.10652	3.8
240.07813	29.2
240.11429	2.4
241.08447	10.4
242.09337	1.8
245.04453	1.8
248.08401	2.4
249.09100	6.7
250.09868	2.0
251.07106	7.7
251.10693	2.0
252.07770	6.6
253.08609	58.2
253.12242	16.5
254.09314	10.8
254.11702	1.4
255.06531	7.9
255.10159	16.4
256.07172	1.7
256.10806	2.1
257.08099	7.8
263.07153	2.9
263.10571	2.3
265.08606	6.3
266.09296	9.0
267.06522	2.6
267.10138	13.3
268.07278	7.2
268.10944	6.9
269.05408	2.6
269.08054	19.4
269.10956	2.0
270.08896	11.3
271.09604	3.3
271.13306	4.2
277.08435	2.2
280.07346	2.3
281.08069	12.4
281.11755	17.0
282.08795	3.6
282.11920	3.0
283.06351	3.4
283.09583	22.1
284.10425	14.6
285.07794	2.9
285.11145	9.9
285.14410	2.3
286.08295	3.5
286.11322	1.8
291.10135	1.9
295.09644	7.3
296.10187	3.1
297.07538	9.0
297.11169	6.7
298.08307	6.9
298.11966	3.7
299.09149	3.7
299.12695	27.4
300.09952	11.2
300.12933	2.5
309.11191	13.6
310.11896	3.3
312.09866	5.7
313.10672	58.3
313.14343	26.9
314.11026	6.7
314.14661	2.6
323.16168	1.6
325.10730	1.8
326.11642	3.6
327.12247	100.0
328.12827	23.4
329.10287	2.5
331.15359	15.3
341.10349	1.4
341.13828	32.5
341.17667	3.0
341.20773	1.5
342.14218	3.3
344.12534	3.5
359.14899	70.4
360.14871	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1487
Annotation	Negundin B
Peak:m/z	Relative Intensity
52.72794	1.3
55.01882	2.0
60.74983	1.2
65.03938	7.1
71.57004	1.2
77.53965	1.1
82.04211	1.5
91.05474	3.1
93.03413	3.2
98.23454	2.2
105.48975	1.1
107.04977	6.7
110.03674	5.5
111.04441	4.2
115.05468	1.5
121.02094	2.2
121.02880	24.1
121.03886	1.7
121.04037	1.4
121.06546	2.0
125.05986	6.2
131.04871	1.3
135.08054	3.0
137.06013	2.0
141.06966	1.9
144.05692	1.6
145.06462	2.7
146.07307	1.5
149.02344	5.1
151.03917	2.9
152.06238	2.6
153.05490	10.3
153.06860	1.7
159.08064	4.9
161.05981	3.0
161.09631	4.3
162.06738	3.6
165.07031	6.5
166.07771	1.7
167.07077	3.9
167.08539	5.0
169.06474	3.6
177.06990	1.9
178.07767	4.3
179.08591	3.4
181.04959	14.9
181.06497	7.8
182.07236	5.7
183.08044	4.9
184.05235	3.7
184.08827	2.2
185.09518	1.7
191.08572	2.3
193.06491	2.4
193.10149	2.6
194.07285	4.1
195.08052	12.4
196.08893	2.3
197.05978	6.4
197.09592	3.8
198.06679	2.3
202.07735	2.2
203.08522	1.6
205.06473	3.3
206.07211	4.0
207.08041	4.6
208.05228	2.0
208.08794	2.0
209.06023	3.4
209.09642	3.7
210.06747	14.7
210.10207	1.6
211.07486	9.2
212.08392	6.2
213.09062	3.4
219.08041	2.9
220.08769	2.1
221.05978	2.5
221.09615	9.4
222.06813	4.6
222.10397	3.7
223.07535	15.5
223.11069	3.1
224.08284	6.8
225.05455	3.6
225.09134	11.4
226.06155	1.6
227.07068	8.0
227.10667	2.7
234.06763	2.8
235.07532	4.7
236.08203	1.5
237.05478	3.0
237.09044	10.0
238.06287	8.6
238.09749	9.9
239.07047	8.5
239.10666	3.7
240.07813	31.3
241.08492	6.9
242.05681	2.3
247.17281	1.3
248.08212	2.4
249.09088	5.2
250.09712	3.0
251.07065	8.3
251.10677	3.3
252.07838	5.6
253.08614	59.6
253.12234	17.2
254.09232	10.2
254.11971	2.0
255.06541	5.6
255.10147	13.9
256.07324	1.6
256.10660	2.1
257.08093	5.9
265.08594	7.1
266.06400	2.4
266.09399	10.4
267.06586	4.6
267.10178	8.1
268.07425	9.3
269.08075	13.5
270.08890	6.5
271.13303	1.9
277.08813	1.6
279.06357	1.6
281.08127	9.5
281.11719	16.4
282.08777	3.5
282.11963	1.6
283.06284	3.3
283.09628	23.5
284.10330	8.4
285.07529	1.7
285.11151	4.4
285.14841	2.7
295.09622	3.5
297.07501	3.9
297.11188	3.8
298.08215	4.5
298.11682	2.4
299.12802	22.0
300.10028	10.9
300.13055	3.0
301.10538	1.4
309.11154	12.2
310.11984	4.7
311.09238	3.1
313.10687	51.5
313.14352	32.3
314.11072	3.3
314.14642	2.4
318.80945	1.4
326.11469	3.6
327.12259	100.0
328.12796	13.4
331.15414	16.8
332.15652	1.8
341.13831	31.6
342.14178	1.8
359.14874	72.7
360.15341	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1488
Annotation	4,6,4'-Trihydroxy-2,3'-dimethoxy-3-prenylbenzophenone
Peak:m/z	Relative Intensity
53.03956	0.7
55.01869	0.9
55.05509	0.6
65.03939	2.0
67.05504	2.1
72.66648	0.4
72.67253	0.4
73.80886	0.5
77.03949	0.4
79.05479	0.9
81.07058	0.7
82.76602	0.4
83.04958	0.5
85.02924	0.4
91.05463	2.4
93.03404	1.8
93.07066	0.4
95.04962	1.5
95.08604	0.7
105.07030	0.5
108.02099	2.1
109.06545	0.5
109.10178	0.4
111.04449	2.1
117.07043	1.0
119.04942	0.9
119.08599	0.5
121.04008	0.6
123.04369	0.5
125.05984	2.3
128.06197	0.5
129.07027	1.8
131.08575	2.1
133.10126	0.6
137.05977	6.7
141.05453	2.5
145.06487	0.5
151.03909	100.0
151.04993	7.8
151.07455	4.0
152.04236	3.1
153.05467	11.1
156.98631	0.5
157.06487	2.3
158.07101	0.5
159.08078	2.9
161.09602	0.5
163.07617	0.4
173.06015	1.3
173.09773	0.5
174.06750	0.8
175.07458	0.5
185.06026	1.2
185.09528	0.7
189.09138	3.7
190.06296	1.2
191.10580	1.0
199.69522	0.4
205.08574	7.1
209.09499	0.6
213.05704	0.5
217.08598	8.6
217.10576	0.7
227.03377	0.5
229.11646	0.6
235.09605	8.2
235.11670	0.6
243.06566	0.7
266.09299	0.5
270.05087	0.6
271.05972	1.5
277.08319	0.5
279.10059	1.1
285.07535	1.4
290.07761	0.5
295.09723	0.5
303.08606	0.9
311.12726	3.4
323.16348	0.8
327.12283	0.7
341.13861	4.3
341.20917	0.4
359.14810	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.8
57.03437	2.1
70.06578	1.9
70.70717	2.5
72.08163	1.8
79.05505	4.0
81.07055	2.3
86.09702	3.0
91.05485	15.8
93.07049	2.8
94.04205	3.7
95.04994	2.6
97.34808	2.0
103.05483	7.8
105.07051	5.3
107.04973	5.0
109.06518	5.6
109.71799	1.6
115.05458	13.0
117.07017	9.8
119.04978	10.3
121.02962	1.5
121.06490	7.9
122.03697	5.0
123.04427	18.8
125.06031	1.6
129.07100	1.8
130.04137	1.6
131.04938	4.5
133.06487	2.4
135.08084	7.7
136.07565	3.2
137.05978	100.0
138.06313	3.9
143.04910	10.3
144.05690	2.1
145.06506	5.9
146.03613	2.3
147.04390	11.4
147.08076	7.0
149.05974	14.6
151.03931	4.0
151.07605	5.3
153.05542	2.8
160.05188	14.3
161.05983	24.9
161.07204	2.3
162.06721	1.7
163.07542	39.2
165.05548	3.5
165.07043	6.9
166.07780	3.7
166.41956	1.8
167.07042	2.7
173.06015	5.8
174.06691	2.6
175.07545	57.5
176.07945	3.5
177.06996	2.6
177.09111	2.4
178.07831	6.0
179.07060	6.5
179.08594	9.2
180.09311	1.7
181.06528	2.2
181.08690	2.7
182.07330	2.2
187.07600	7.5
189.07059	3.0
190.08800	8.1
191.07057	43.4
191.08618	12.1
193.06549	6.2
194.07242	10.3
195.08080	2.8
197.05774	1.7
202.07800	2.2
203.08623	2.5
205.06516	4.4
205.08646	12.0
206.07216	3.3
207.06396	2.7
207.08115	8.9
208.09721	82.9
209.06039	2.7
209.09639	3.7
210.06758	4.5
211.07544	3.2
218.07141	3.5
219.08034	19.4
220.08734	5.6
221.05980	8.9
222.06689	9.0
223.07582	3.0
224.08305	3.4
225.09164	4.6
233.05894	2.7
235.07484	10.7
236.08348	5.9
237.09067	9.2
239.07033	3.6
239.10576	11.2
247.07567	12.5
248.08260	4.0
249.09155	2.4
250.06187	2.8
251.10622	13.6
252.07927	3.8
253.08635	9.3
254.09119	2.8
255.06572	2.7
261.09158	2.2
264.07831	5.9
265.08600	25.9
266.09045	3.5
267.10117	12.9
268.10696	2.3
269.07941	1.9
279.10168	36.6
280.07498	1.9
280.10718	4.1
281.08081	2.6
281.11569	1.8
282.09006	2.6
285.11200	16.4
287.10742	1.9
291.10202	2.4
295.09756	8.3
296.10315	3.9
297.11203	26.2
298.11795	3.8
299.12766	48.7
300.13120	3.9
309.11182	2.3
310.12000	6.4
311.12772	48.0
311.16440	2.4
312.13104	6.9
315.12366	3.0
325.10721	3.9
327.12469	5.6
329.13821	14.1
341.13953	7.1
342.13559	2.8
343.11887	2.2
359.07718	6.3
359.17038	38.6
360.14285	19.9
380.53580	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.8
57.03437	2.1
70.06578	1.9
70.70717	2.5
72.08163	1.8
79.05505	4.0
81.07055	2.3
86.09702	3.0
91.05485	15.8
93.07049	2.8
94.04205	3.7
95.04994	2.6
97.34808	2.0
103.05483	7.8
105.07051	5.3
107.04973	5.0
109.06518	5.6
109.71799	1.6
115.05458	13.0
117.07017	9.8
119.04978	10.3
121.02962	1.5
121.06490	7.9
122.03697	5.0
123.04427	18.8
125.06031	1.6
129.07100	1.8
130.04137	1.6
131.04938	4.5
133.06487	2.4
135.08084	7.7
136.07565	3.2
137.05978	100.0
138.06313	3.9
143.04910	10.3
144.05690	2.1
145.06506	5.9
146.03613	2.3
147.04390	11.4
147.08076	7.0
149.05974	14.6
151.03931	4.0
151.07605	5.3
153.05542	2.8
160.05188	14.3
161.05983	24.9
161.07204	2.3
162.06721	1.7
163.07542	39.2
165.05548	3.5
165.07043	6.9
166.07780	3.7
166.41956	1.8
167.07042	2.7
173.06015	5.8
174.06691	2.6
175.07545	57.5
176.07945	3.5
177.06996	2.6
177.09111	2.4
178.07831	6.0
179.07060	6.5
179.08594	9.2
180.09311	1.7
181.06528	2.2
181.08690	2.7
182.07330	2.2
187.07600	7.5
189.07059	3.0
190.08800	8.1
191.07057	43.4
191.08618	12.1
193.06549	6.2
194.07242	10.3
195.08080	2.8
197.05774	1.7
202.07800	2.2
203.08623	2.5
205.06516	4.4
205.08646	12.0
206.07216	3.3
207.06396	2.7
207.08115	8.9
208.09721	82.9
209.06039	2.7
209.09639	3.7
210.06758	4.5
211.07544	3.2
218.07141	3.5
219.08034	19.4
220.08734	5.6
221.05980	8.9
222.06689	9.0
223.07582	3.0
224.08305	3.4
225.09164	4.6
233.05894	2.7
235.07484	10.7
236.08348	5.9
237.09067	9.2
239.07033	3.6
239.10576	11.2
247.07567	12.5
248.08260	4.0
249.09155	2.4
250.06187	2.8
251.10622	13.6
252.07927	3.8
253.08635	9.3
254.09119	2.8
255.06572	2.7
261.09158	2.2
264.07831	5.9
265.08600	25.9
266.09045	3.5
267.10117	12.9
268.10696	2.3
269.07941	1.9
279.10168	36.6
280.07498	1.9
280.10718	4.1
281.08081	2.6
281.11569	1.8
282.09006	2.6
285.11200	16.4
287.10742	1.9
291.10202	2.4
295.09756	8.3
296.10315	3.9
297.11203	26.2
298.11795	3.8
299.12766	48.7
300.13120	3.9
309.11182	2.3
310.12000	6.4
311.12772	48.0
311.16440	2.4
312.13104	6.9
315.12366	3.0
325.10721	3.9
327.12469	5.6
329.13821	14.1
341.13953	7.1
342.13559	2.8
343.11887	2.2
359.07718	6.3
359.17038	38.6
360.14285	19.9
380.53580	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.149
Annotation	Prestegane B
Peak:m/z	Relative Intensity
55.01883	10.2
60.96015	1.3
65.03972	1.7
67.05511	2.1
69.25636	9.8
73.02921	63.6
79.05492	4.3
81.07062	2.7
81.08717	1.3
91.05482	8.7
93.03416	2.8
94.04176	2.5
95.04972	3.2
103.05474	43.7
105.03371	2.1
105.07024	5.0
107.04942	6.7
108.02132	1.5
109.06525	3.8
110.12656	1.4
111.04431	2.2
115.05470	1.7
117.07014	1.9
119.04941	2.5
122.03639	3.6
123.04424	3.4
125.05999	1.8
129.07036	1.7
131.04933	33.3
131.08571	2.0
132.05240	1.7
133.06502	3.8
135.04451	4.3
135.08038	18.0
137.05983	63.0
138.06310	2.0
141.05556	1.4
145.06497	2.4
147.04436	3.3
148.05199	73.6
149.05635	2.2
151.03920	49.1
151.05003	5.1
151.07535	10.5
152.04266	1.6
153.05472	4.6
157.06512	3.3
161.05984	7.3
163.03954	7.5
163.07549	100.0
164.07953	5.1
165.05640	1.4
165.07024	3.7
167.08545	2.7
169.06494	1.3
174.06770	2.5
175.07565	4.4
177.05458	2.5
177.09070	3.1
179.07043	4.6
179.08502	2.2
181.06555	2.0
182.07292	6.4
183.08067	2.2
189.05463	14.3
189.09149	5.5
189.61082	1.3
190.06206	2.3
193.06499	1.5
195.08112	4.8
199.07568	3.9
205.08618	5.3
210.06752	9.7
211.07448	4.2
212.08394	1.4
217.08585	3.9
221.06001	5.3
223.07565	3.7
224.08484	1.9
225.05507	1.8
225.09099	10.4
227.07004	6.6
227.10707	2.5
229.08646	1.7
235.09619	4.2
237.05441	2.1
237.09183	2.3
238.06233	2.3
239.07074	2.8
242.09329	1.6
253.08623	12.6
254.09074	2.3
255.06525	7.6
255.10190	3.3
257.08047	2.6
265.08667	2.3
267.10110	1.6
269.11475	1.7
270.09000	3.2
271.09729	3.0
272.10464	8.4
279.10184	3.1
285.07538	2.2
287.12787	88.1
288.13083	7.3
291.10147	2.0
295.09467	2.0
311.12787	5.3
313.10712	66.1
313.13791	3.0
314.11020	4.8
327.12198	2.5
329.13486	2.0
341.13831	16.6
342.14066	2.7
359.14908	54.8
360.15228	4.4
384.17932	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1488
Annotation	Jamesoniellide E
Peak:m/z	Relative Intensity
51.02384	0.4
53.03942	0.7
55.01884	1.2
62.41203	0.4
65.03940	13.2
67.05502	3.6
69.03404	0.5
69.06865	0.6
69.07265	2.7
77.03933	0.8
79.05466	1.9
81.03429	0.4
81.07083	0.4
84.02129	0.5
85.02911	0.7
86.09718	0.4
89.03918	0.5
91.05478	5.3
91.65795	0.3
92.05782	0.4
93.03405	16.7
93.07061	0.6
94.04234	0.8
95.01345	0.4
95.04976	2.5
98.22462	0.4
103.05483	3.0
105.03412	0.4
105.07032	4.2
107.04949	2.7
107.08563	0.7
108.02095	3.6
109.02894	0.6
109.06519	1.0
110.03675	2.4
111.04439	15.9
112.01570	0.6
115.05454	1.3
117.03381	0.9
117.07037	1.2
119.04941	3.3
119.08546	0.5
120.05722	0.9
121.06482	1.9
122.03641	2.8
123.04408	0.8
123.08083	0.9
124.05202	0.5
125.05988	19.2
128.06236	1.5
129.07008	4.0
131.04906	3.7
131.08528	1.0
133.06490	1.6
135.04393	0.7
135.08046	7.1
136.01537	0.7
136.05186	0.4
137.05969	28.9
138.06302	1.0
141.05450	3.4
143.04922	0.7
145.06482	1.5
146.03616	1.7
146.07248	1.8
147.04439	1.2
147.08058	0.9
148.05196	1.3
149.02359	0.9
149.05974	7.0
149.09665	0.8
151.03912	100.0
151.05016	12.4
151.07518	13.2
152.04256	3.4
153.05463	33.9
154.05840	1.2
157.06480	3.1
159.07965	0.6
160.05141	0.5
161.05977	33.7
161.09608	7.7
161.10898	0.7
162.06442	1.6
163.03889	0.6
163.07541	11.3
165.05487	10.4
165.06985	2.7
165.09120	0.8
166.05734	0.4
167.08566	1.1
173.06001	0.6
174.06743	2.4
175.07526	4.8
177.05511	3.7
177.09113	1.5
178.06252	0.9
178.07793	1.5
179.07050	0.7
179.08598	1.1
181.06476	1.1
181.08568	1.9
182.07188	0.8
183.08057	0.5
185.05917	0.5
187.07588	1.3
189.05518	1.0
189.09102	22.4
190.09431	1.4
191.07030	12.1
191.08479	0.7
192.07384	0.9
193.06569	1.2
193.08595	13.2
193.10188	2.0
194.07239	1.2
194.08858	0.5
195.08092	2.0
195.10193	5.6
196.08794	0.5
196.10533	0.6
197.05933	0.6
197.09601	0.6
199.07565	0.4
202.07819	0.6
203.06914	0.8
203.08560	1.1
206.07336	0.5
207.08185	1.1
207.10155	15.7
208.10431	0.8
209.06006	0.9
209.09682	0.9
210.06760	3.0
211.07535	3.0
211.09610	1.0
212.08238	0.7
217.08600	1.7
219.08087	1.4
221.05957	1.6
221.09610	5.6
222.06668	0.6
222.10304	0.4
223.07524	1.6
224.08263	2.6
225.05525	0.6
225.09116	7.0
226.09407	0.7
227.07062	1.4
227.10733	2.0
231.08055	1.5
235.07509	0.6
235.09555	4.6
237.05566	0.6
237.09137	0.9
238.06174	1.3
238.09952	1.1
239.07019	2.8
239.10672	1.0
240.07794	1.3
241.08601	1.0
247.07472	0.6
248.08328	2.5
249.09122	3.8
250.09763	0.5
251.07019	1.0
251.10527	0.4
252.07764	1.5
253.08588	6.1
253.12296	5.2
254.09360	1.1
255.06465	2.4
255.10112	2.1
259.07529	0.8
263.10715	1.4
264.07944	0.5
265.08557	2.5
266.05893	0.5
266.09360	1.6
267.06525	1.5
267.10101	1.6
269.08118	1.4
270.08765	2.6
271.09619	1.2
272.10483	0.7
276.07697	1.0
277.08554	1.5
279.10153	1.3
281.08090	1.4
281.11725	6.5
282.08801	2.1
282.11774	0.7
283.09518	2.2
284.10486	0.9
285.07928	1.0
285.11160	8.3
285.14099	0.7
286.11514	0.5
287.12891	2.5
291.10141	4.2
292.10843	1.1
293.08054	0.7
295.09668	1.6
297.08105	0.7
297.11148	3.1
298.08408	0.8
298.11737	0.9
299.09082	1.2
299.12704	1.3
308.10419	0.7
308.64026	0.4
309.11151	2.5
310.11868	0.8
311.09238	0.8
311.12738	1.4
313.10666	10.4
313.14346	8.7
314.11014	1.4
314.14633	1.1
315.12119	0.5
323.12933	1.9
326.11292	0.9
331.15353	2.9
341.13837	13.3
342.14130	1.2
344.12540	0.6
359.14868	42.6
360.15140	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1486
Annotation	Negundin B
Peak:m/z	Relative Intensity
53.03947	1.1
55.01897	0.5
55.05502	0.6
63.12857	0.5
67.05512	1.2
69.03431	0.6
79.05492	3.0
81.07059	2.2
91.05486	6.5
92.05827	0.6
93.07045	1.5
94.04166	0.8
95.04981	2.2
95.08598	1.5
103.05472	25.7
104.05748	0.9
105.07053	2.8
107.04958	4.8
107.08595	1.6
109.06514	2.1
109.10139	0.6
115.05463	5.2
117.07042	3.6
119.04958	1.8
119.08580	1.7
121.06508	2.6
121.10132	0.6
122.03663	2.0
123.04423	0.6
125.05998	0.7
127.01258	0.6
128.06244	0.8
129.07005	4.2
131.04924	13.5
131.08527	0.6
132.05659	2.0
133.06500	1.2
133.10130	0.9
135.08067	2.3
135.11678	0.7
137.05975	29.3
138.06329	0.8
143.04906	2.3
143.08591	1.1
145.06476	1.8
147.04396	1.1
147.08002	2.6
148.05225	2.8
149.06047	3.1
151.03932	6.8
151.05032	1.0
151.07556	5.4
153.05484	0.6
157.06543	3.3
157.10117	0.9
159.08070	0.8
160.05208	4.4
161.05930	2.4
161.09563	0.8
163.07545	20.2
164.08080	1.1
165.05550	0.6
167.07063	1.5
169.06143	0.6
171.08046	0.5
173.06065	1.1
174.06813	2.1
175.07549	100.0
176.07867	3.5
179.07033	2.5
179.08577	1.7
185.05943	1.7
187.07466	0.6
189.05490	0.6
189.09108	14.7
191.07065	7.5
193.10222	0.7
195.08055	1.4
196.08887	0.7
197.09656	0.7
197.13164	0.6
197.45166	0.6
202.06189	2.7
203.08588	1.0
205.08604	3.8
207.08047	2.0
208.08760	0.7
209.08063	6.4
209.09766	0.8
211.11174	0.9
217.08603	33.1
218.09009	1.8
221.09573	1.1
223.07549	1.1
224.08363	2.5
225.09172	0.7
227.07025	0.8
231.08052	2.4
235.07491	3.8
235.09688	3.9
236.08189	0.6
237.09094	0.8
238.09839	1.1
239.06982	0.6
239.10658	3.0
241.08400	1.1
248.08307	0.9
249.09042	1.1
252.07813	1.4
253.08675	1.6
253.11989	0.7
253.45349	0.6
255.06519	0.9
259.07541	3.6
260.08243	0.9
263.10486	1.3
265.08627	0.6
266.09552	0.7
267.10104	5.9
268.10812	0.6
269.08011	0.9
270.08826	1.4
276.07745	1.2
281.11707	3.7
285.11209	0.7
291.10126	11.9
292.10483	0.8
299.12750	15.1
300.12976	0.9
309.11157	0.9
313.10767	1.6
313.14331	6.3
323.12796	6.9
324.13324	0.8
327.12253	1.6
328.13025	0.9
341.13849	22.3
342.14114	2.8
344.12775	0.7
359.14877	14.5
359.21866	0.7
360.15240	2.0
360.28931	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1487
Annotation	Saururin A
Peak:m/z	Relative Intensity
53.81288	0.7
55.05488	0.9
67.05488	1.4
69.03441	0.7
69.60694	4.3
71.04967	0.9
76.94550	0.7
78.40087	0.7
79.05470	1.0
81.07069	1.3
83.04991	1.1
85.01507	0.8
85.02887	0.8
91.05460	2.3
93.07028	2.0
95.04954	0.7
95.08614	1.4
105.07007	1.2
107.08572	0.9
109.06536	0.8
110.58415	0.8
111.04437	0.8
111.08086	2.2
117.06986	0.8
119.08543	1.4
121.06524	1.3
123.04324	0.8
128.06210	0.9
131.08571	1.3
139.07530	4.8
143.08521	0.8
145.06456	1.3
145.10188	1.2
147.04398	2.2
147.08067	1.7
149.09709	1.3
151.03934	1.6
152.06213	1.0
153.06978	2.0
153.09044	1.1
155.08560	1.1
157.06509	1.0
159.08052	2.3
160.08820	1.4
161.06042	0.9
161.09621	0.8
165.07005	3.1
167.08578	2.1
168.05701	1.1
169.10117	1.2
171.08028	1.1
173.05968	2.1
175.03931	3.5
175.07582	1.1
176.04663	2.9
177.07074	0.8
178.07809	3.3
179.08559	4.7
181.06479	6.2
181.10037	0.9
182.07234	1.6
183.08029	1.8
184.05141	1.7
185.05971	2.0
185.09538	1.8
186.62924	0.8
188.08313	0.7
191.07016	11.5
191.08562	1.4
191.10576	1.1
193.06369	1.1
194.07254	1.7
195.08038	4.6
195.11652	1.2
196.05226	2.0
196.08800	8.2
197.05966	2.1
197.09535	2.2
198.06754	1.4
199.07526	3.7
200.08289	0.9
200.97142	0.8
204.04189	2.1
204.07909	1.4
205.06557	1.5
206.07257	2.2
207.08020	3.4
208.08830	3.3
209.06007	5.2
209.09564	2.7
210.06767	4.2
210.10382	1.1
211.07562	7.2
211.11099	4.8
212.04575	1.2
212.08118	1.7
213.05489	3.4
213.09070	13.4
214.09593	1.0
219.06509	17.2
219.10007	5.1
221.05971	2.3
221.09659	2.0
222.06865	1.4
223.03935	7.8
223.07484	6.4
224.04620	2.1
224.08279	18.5
225.05443	1.5
225.09091	4.1
226.06223	2.0
226.09900	1.0
227.07037	8.6
227.10603	1.4
228.07726	2.5
229.08665	1.0
234.06787	1.4
235.07523	3.1
236.04666	1.1
236.08315	3.7
237.05460	8.7
237.09128	3.2
238.06265	20.3
238.09752	3.8
239.06967	5.1
239.10638	17.7
240.07701	1.2
240.11316	1.6
241.04938	1.5
241.08572	26.2
242.09297	6.0
243.09969	1.0
245.04512	1.5
247.09618	5.7
249.09183	2.3
250.06148	1.2
251.07059	9.8
251.10767	0.9
252.04063	0.7
252.07773	11.9
253.08557	4.3
254.05760	1.6
255.06462	8.4
255.10213	3.5
256.07132	1.9
256.10931	11.9
257.11633	1.5
258.08817	1.0
263.07050	1.3
265.04941	1.1
265.08664	3.4
266.05765	3.3
266.09402	7.1
267.06952	1.8
267.10144	43.6
268.03827	0.9
268.07742	1.2
268.10590	5.3
269.05029	1.3
269.08075	16.4
269.11063	1.0
270.08810	7.4
271.06049	1.1
271.13293	2.8
272.06866	2.1
275.12869	1.0
279.06564	1.5
280.07291	9.3
281.08075	10.9
281.11685	6.1
282.05408	1.0
282.08615	2.0
282.11768	0.9
283.06033	7.5
283.09540	3.0
284.07074	1.3
284.10355	15.9
285.11069	5.5
285.14163	0.7
286.08408	5.1
287.05566	1.0
287.08963	1.2
288.06363	1.6
294.08875	2.2
295.09641	100.0
296.10226	14.9
297.07544	6.7
297.10831	1.5
298.08395	4.8
299.09259	0.9
299.12766	16.9
300.13177	1.9
301.10706	5.6
303.08582	3.4
309.11057	1.6
311.09100	1.0
312.09891	21.4
312.13498	1.3
313.10623	7.4
314.11191	1.0
315.08661	2.5
317.10403	0.9
323.16504	2.3
323.19827	0.9
327.12247	66.3
328.12769	8.8
329.10159	4.9
330.10916	2.3
331.15344	2.0
341.17502	1.8
341.21133	1.6
344.12527	12.0
359.14847	38.9
359.18613	3.6
360.15393	4.2
365.40637	1.0
378.03049	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1698
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.01863	0.8
55.05517	0.9
57.03433	1.5
61.02913	1.3
66.15342	0.8
67.05496	1.6
69.03415	5.4
69.95724	1.5
69.96091	3.5
70.06586	1.2
71.04992	0.9
73.02909	1.1
76.85970	0.8
79.05482	1.9
81.03438	1.3
81.07063	2.5
85.02899	16.0
91.05480	5.2
92.10918	0.8
93.07049	6.1
95.04971	1.8
95.08599	2.1
97.02890	3.3
100.01824	0.9
103.05502	1.2
105.07013	8.0
107.08591	18.8
108.08916	0.8
109.02875	1.6
109.06516	1.4
109.10132	1.6
111.22007	0.8
119.04927	1.2
119.08580	2.9
121.06490	2.5
123.04420	4.3
123.11691	1.0
127.03894	2.8
131.04880	1.1
133.10126	19.4
135.08069	1.2
135.11696	21.1
137.05959	5.2
137.09593	1.3
145.04930	1.6
147.04414	1.7
148.03925	0.9
151.11143	1.3
153.05521	0.9
157.86357	0.9
161.05988	1.1
161.09615	11.0
162.09999	1.0
163.07494	2.4
165.05525	1.2
175.07449	0.8
179.07091	1.2
179.10663	34.8
180.11008	1.7
181.08604	0.9
190.08693	1.5
191.07027	7.8
197.11723	100.0
198.11983	4.0
208.03914	0.8
208.09698	11.9
255.55212	0.9
297.47632	0.9
359.17117	4.9
360.14325	2.5
382.59174	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31092	1.0
53.03933	1.2
55.01878	1.4
57.03440	2.3
61.02917	4.1
65.03947	1.0
67.05509	1.8
69.03427	4.8
69.07109	1.2
70.06584	1.5
71.04994	1.0
71.30672	1.0
73.02912	1.2
79.05492	2.3
81.03398	3.6
81.07014	1.5
85.02905	23.7
86.09706	4.2
91.05492	6.8
93.07050	7.2
95.04946	4.4
97.02898	4.6
98.09854	1.4
105.07015	9.1
107.04960	2.5
107.08585	23.2
109.02884	3.1
109.06491	1.5
109.10161	1.9
115.05457	1.4
119.04942	2.8
119.08575	2.0
121.06502	3.7
123.04441	4.6
123.11706	1.4
127.03916	4.1
133.06438	1.6
133.10129	20.0
135.11702	19.8
136.12032	1.5
137.05963	12.9
137.09546	1.1
145.04930	2.6
147.04387	2.8
149.05994	2.7
151.03915	5.0
151.07547	3.0
151.11200	1.5
153.05438	2.5
161.05959	3.4
161.09605	10.2
163.07510	5.2
165.05508	1.1
173.05908	1.5
175.07613	3.2
177.09125	1.9
179.07198	1.5
179.10675	37.9
191.07027	8.1
197.11736	100.0
198.12057	4.3
205.08731	1.6
208.09706	10.6
212.09091	1.3
254.01022	1.2
263.06503	1.2
279.09946	1.6
285.11087	1.9
297.11230	1.1
299.12589	2.1
311.12717	2.6
359.10751	2.6
359.15924	3.3
360.14346	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1698
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.01851	0.9
57.03418	1.3
58.95673	0.6
61.02924	1.3
65.03921	0.8
69.03426	3.5
71.04982	0.9
71.29237	1.6
73.02923	1.1
79.05482	2.5
81.03407	1.0
81.07032	1.9
85.02908	6.7
91.05464	4.2
93.07044	6.1
93.11123	0.9
95.04942	0.8
95.08602	2.2
97.02885	2.1
97.06525	1.0
105.07013	7.8
107.08593	31.0
108.08914	1.3
109.02982	0.8
109.06488	1.7
109.10150	2.0
117.06993	0.7
119.08560	5.5
121.06404	0.7
121.10148	5.6
122.20869	0.8
123.08039	0.8
123.11668	0.8
125.05958	0.9
127.03902	2.1
131.08540	1.1
133.10129	16.9
135.08043	0.7
135.11581	0.9
137.05965	2.7
138.45734	0.8
139.07631	1.0
143.08485	1.3
145.04913	1.3
149.09628	4.1
151.03885	2.9
151.07532	2.3
151.11171	6.3
153.05431	1.1
161.09625	4.9
167.10678	14.0
168.11105	0.8
175.07518	0.9
179.10661	14.4
180.10963	1.4
189.09099	0.8
194.18648	0.7
197.11723	100.0
198.12009	4.5
341.13788	0.9
359.14844	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.17
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61621	1.4
55.05516	2.0
55.57230	1.6
57.03435	3.3
59.05004	3.0
61.02935	1.9
67.05495	2.3
69.03438	5.7
69.16280	13.5
79.05490	2.0
81.03435	4.4
81.07080	2.3
85.02903	27.9
91.03937	2.1
91.05479	7.6
93.07053	10.2
95.04967	2.7
97.02897	6.1
98.22582	3.1
102.06173	1.6
105.07033	10.1
107.08592	22.1
109.02858	2.7
117.07002	1.9
119.08576	5.2
121.10132	1.6
123.04446	3.1
123.08062	3.5
127.03954	3.9
133.10135	29.0
135.08060	1.8
135.10686	2.7
135.11684	22.4
137.05943	4.9
141.05536	1.8
145.04948	3.8
147.04341	2.0
151.03931	7.6
153.05431	2.6
161.05963	2.2
161.09587	13.0
163.07550	4.0
179.10670	40.4
179.14301	3.1
181.08607	2.6
183.78006	1.6
197.11731	100.0
197.29930	1.5
198.12158	4.0
208.09830	3.5
278.26840	1.8
287.08292	1.6
320.89374	1.6
332.78009	1.7
341.13617	1.6
359.16870	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1852
Annotation	Aristolignin
Peak:m/z	Relative Intensity
53.17070	1.0
55.01856	1.6
55.05507	1.9
57.03434	2.5
59.04996	1.9
67.05500	3.6
68.66660	1.0
69.03423	1.7
69.07067	5.5
69.13991	8.2
71.04990	1.7
79.05485	2.9
81.03368	1.0
81.07042	3.3
83.04970	3.9
83.08605	1.3
85.02885	2.6
85.06545	1.7
87.04447	4.1
91.05476	4.2
93.07026	1.8
94.04220	1.3
95.04971	2.2
95.08610	3.0
97.06528	1.3
99.04455	1.7
102.09210	0.9
105.07027	2.8
105.79956	1.0
107.04948	2.0
107.08572	2.1
109.06509	5.1
111.04449	6.9
111.08081	1.7
113.06003	2.1
115.05450	2.1
117.06985	1.6
119.08575	1.4
121.06522	1.3
122.03688	1.5
123.04432	1.9
123.08056	1.2
124.05215	1.1
125.05984	5.1
127.03923	3.1
128.06189	2.5
129.06987	2.0
131.08569	1.3
133.06461	1.5
135.08099	1.2
137.05971	15.9
138.06520	1.1
139.07512	3.5
140.06186	1.2
141.07008	1.9
143.08565	4.2
145.06454	3.1
145.10149	2.1
147.08034	2.0
151.03891	1.0
151.07536	15.7
152.06226	1.3
153.05496	1.3
153.07025	1.6
155.07013	2.8
155.08479	1.3
157.06519	3.1
158.07266	3.7
159.08032	4.0
160.05107	1.3
160.08852	1.8
161.06018	2.2
161.09636	3.8
165.06996	2.0
165.09137	1.8
167.07059	20.3
167.08385	1.2
168.05731	4.0
169.06480	8.0
170.07260	1.4
171.08054	3.6
172.05319	1.4
172.08807	1.8
173.05997	3.3
173.09621	2.6
174.06754	6.0
175.07570	3.8
175.11206	3.0
176.08376	1.3
177.09174	1.9
178.07727	1.4
179.08485	1.5
181.06494	1.6
181.08502	1.2
183.04463	1.6
183.08040	3.8
184.08839	1.5
185.05977	4.5
185.09535	1.8
186.06763	3.8
187.07510	4.5
188.08269	3.6
189.05489	3.6
189.09091	11.0
190.05989	1.8
190.09842	2.4
191.07027	4.8
191.10664	1.7
193.10176	1.9
195.08101	4.2
196.05202	10.6
196.08846	1.6
197.05968	19.1
197.09685	1.9
198.06720	5.6
199.03915	4.0
199.07547	4.2
200.08321	3.6
200.12042	1.1
201.05412	2.3
201.09105	13.9
202.09917	3.7
203.07007	2.9
203.10728	6.4
204.07793	6.2
204.11545	1.6
205.08580	5.4
205.12276	5.8
206.09326	1.3
207.11757	1.5
209.09586	3.4
210.06845	1.9
210.10448	1.8
211.07545	9.0
211.11108	1.4
212.08255	3.1
213.05432	4.7
213.09149	3.7
213.12714	1.1
214.06284	10.6
215.06917	8.1
215.10675	7.0
216.07776	4.6
216.11462	1.1
217.08623	5.8
217.12245	2.1
218.09242	1.4
219.10217	6.4
219.13786	1.2
220.10794	1.4
221.09731	1.1
221.11720	17.9
222.12030	1.5
223.07538	1.2
223.11255	1.3
224.04622	1.9
224.08234	1.9
225.05580	5.9
225.09039	7.9
225.12752	2.1
226.06261	2.9
226.09789	2.6
227.03386	1.7
227.07043	5.9
227.10646	4.4
228.07765	5.8
228.11368	2.2
229.08582	23.3
229.12225	2.1
230.09215	3.3
231.10120	3.0
231.13870	3.0
232.07314	1.4
233.11766	3.4
235.11290	2.0
235.13248	8.2
237.09134	2.7
238.06108	1.3
238.09966	3.7
239.07054	6.4
239.10678	3.6
240.07713	1.2
240.11371	1.3
241.04990	2.8
241.08536	7.9
241.12234	4.3
242.05760	7.1
242.09381	3.4
242.12976	2.2
243.06540	10.4
243.10062	6.5
244.07199	1.2
244.10764	1.4
245.08086	1.4
245.11682	1.3
246.08766	1.5
247.09660	4.1
247.13254	4.0
248.14049	2.4
251.10629	2.0
252.11409	3.4
253.08615	4.7
253.12253	8.2
254.09067	1.5
255.06587	1.9
255.10103	5.2
255.13805	1.6
256.07254	3.2
256.10785	1.6
256.14578	1.5
257.08084	59.9
257.15366	3.4
258.08749	11.7
259.09631	2.2
259.13330	7.7
261.11206	4.0
263.10632	1.6
265.08636	1.4
267.10358	1.6
267.13849	4.3
269.08096	2.4
269.11688	4.4
270.08929	3.5
270.12418	4.5
271.09644	8.2
271.13193	3.3
271.17126	1.8
273.14713	5.7
281.11777	1.8
283.13394	1.3
284.06888	2.7
284.14063	2.3
285.08041	2.0
285.11234	7.8
285.14856	8.7
286.12125	1.3
287.09058	1.4
287.12796	1.8
289.10703	40.9
290.11029	3.5
295.13239	14.6
296.10425	2.2
296.13806	4.1
297.07520	2.0
297.11081	2.3
298.12006	2.1
299.09311	6.5
299.12820	2.1
299.16309	12.6
301.10883	1.9
301.14374	4.7
309.14819	3.7
312.13507	1.3
313.10690	3.1
313.14352	2.0
316.16733	4.5
317.17398	6.1
327.12073	2.0
327.15894	26.2
328.13000	6.5
328.16501	4.5
329.10080	2.0
329.13596	1.7
331.18970	4.9
341.17429	3.8
344.12509	3.3
344.16217	2.4
359.11142	6.6
359.14917	4.7
359.18518	100.0
360.18860	10.9
368.61823	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77871	1.1
67.64120	1.0
69.07056	1.9
69.16933	1.1
69.37315	6.8
81.07047	3.0
91.22835	1.2
93.07042	1.5
95.08569	1.7
107.08563	2.2
107.81853	1.1
112.92564	1.3
115.05441	2.8
121.10135	1.2
123.04370	1.5
137.05966	9.5
141.07018	8.2
143.08614	1.6
151.07552	1.4
153.06900	1.3
155.04900	1.3
159.08032	2.0
160.53668	1.1
161.05882	1.2
165.07021	1.3
166.07745	1.7
167.06953	2.6
168.05678	5.0
169.06493	47.7
170.06883	2.4
171.04332	1.5
174.65010	1.3
175.07536	2.4
181.08656	1.5
182.07243	1.9
183.07994	3.0
184.05222	1.4
185.05997	2.5
186.06789	2.5
189.05511	1.1
189.09096	2.1
190.09947	1.6
195.04430	2.9
195.08049	1.8
196.05214	7.8
196.06708	1.2
197.05977	48.4
198.06656	5.4
199.03810	5.6
199.07552	3.5
199.24516	1.2
201.05460	1.8
201.09041	2.9
203.10577	1.7
209.09636	2.8
210.06721	2.1
211.07535	13.7
212.04684	2.4
212.08188	1.3
213.05475	4.5
213.09085	1.9
214.06229	30.2
215.07120	5.8
219.10121	1.6
219.58472	1.2
223.07571	1.6
224.04686	1.5
224.08220	1.5
225.05481	49.7
225.08920	9.6
226.06219	10.4
226.09662	2.0
227.03412	3.8
227.07028	10.1
228.07704	3.2
229.08595	36.9
230.09041	2.1
231.06259	1.7
235.11194	2.5
237.05388	1.4
237.09097	2.4
238.06264	2.9
238.09715	1.7
239.06961	7.2
239.10681	2.8
240.07877	2.1
241.04929	1.8
241.08549	5.0
241.12062	1.4
242.05757	15.4
242.09319	2.6
243.06508	12.9
243.10252	2.6
251.06966	1.8
252.07768	2.2
252.11459	2.4
253.08525	9.7
254.09157	1.9
255.06425	2.2
255.10268	1.5
256.07324	6.2
257.08084	100.0
258.08670	17.6
259.06052	2.4
259.09567	2.5
263.10748	1.7
265.08624	2.8
266.09354	1.4
267.10117	1.9
267.13773	7.2
268.10825	2.4
269.08084	3.6
270.08902	3.5
271.09570	14.3
274.08401	1.8
280.11127	1.7
281.08026	12.4
282.08594	2.6
283.09576	2.1
284.10425	4.2
285.08047	1.5
285.11148	6.4
289.10718	31.4
290.11072	2.6
295.10010	2.2
295.13260	18.5
296.10419	11.0
296.13528	2.3
297.07507	2.6
297.10886	2.0
298.08536	1.4
298.11710	2.2
299.12653	3.1
299.16013	2.2
312.10001	2.0
313.10703	9.0
314.10910	1.8
327.12186	8.2
327.15900	16.6
328.13007	9.5
328.16400	2.1
329.10132	2.1
344.12408	3.8
344.16187	1.7
359.14749	7.0
359.18460	63.4
359.22021	5.0
360.14993	2.1
360.18857	6.2
360.55157	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	18.5
57.03434	1.8
57.07080	8.5
57.59068	0.9
66.28811	1.0
67.01871	1.6
67.05512	7.7
69.07070	60.4
70.07412	1.2
70.79533	1.1
71.08624	3.0
78.82109	0.9
79.05492	3.0
81.07059	18.1
83.04980	2.1
83.08622	20.6
85.10191	1.4
91.05474	4.0
93.07055	12.9
95.04989	2.7
95.08607	15.1
97.10171	11.6
102.36652	1.0
105.07041	3.1
107.08603	5.4
109.06538	4.0
109.10162	12.6
111.11716	6.0
119.04986	1.7
121.06516	3.4
121.10172	2.8
123.08051	3.1
123.11693	8.2
125.13322	2.2
131.08557	2.4
133.10117	1.5
135.08070	4.0
135.11729	1.2
137.05974	13.2
137.13240	3.9
138.06779	1.4
139.03885	1.3
139.07581	4.3
141.05452	5.1
145.10123	1.4
147.08061	2.9
147.11687	1.6
149.05971	4.8
149.09636	1.9
151.07541	28.8
157.10133	1.2
159.08025	2.8
159.11740	2.2
161.06023	3.9
161.09624	2.0
163.07516	2.0
165.05501	9.4
165.09097	8.0
166.06262	2.5
167.07043	100.0
168.07390	4.3
173.09607	1.5
175.07547	6.0
175.11153	1.7
177.09103	3.9
178.06256	1.3
179.07056	5.8
179.10692	4.2
179.17928	1.4
181.08577	5.7
187.07370	1.2
187.11174	1.3
189.09108	6.8
191.07042	5.5
191.10573	2.4
192.07896	2.1
192.84213	1.1
193.08614	9.7
193.12270	1.2
193.19579	2.7
195.10207	1.1
203.10703	5.3
205.08617	10.2
205.12216	3.2
205.19560	1.6
207.10187	13.2
212.77408	1.0
215.10715	4.1
217.12288	1.6
219.10205	4.5
219.13664	1.5
221.11667	6.0
231.13808	1.8
233.11794	4.5
235.13318	2.6
247.13318	1.6
249.14870	1.8
257.19092	1.0
261.14883	1.2
263.16422	2.0
275.16547	0.9
277.17926	4.2
285.18503	1.8
341.24591	2.8
357.12006	1.8
358.12939	3.8
359.13040	17.1
359.25739	12.2
359.37198	2.3
360.14993	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2791
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
51.73949	7.3
55.05500	22.6
59.83611	8.6
65.95078	8.0
67.05511	46.0
69.03444	8.1
69.07065	35.5
69.13448	70.6
79.05500	46.7
81.07056	100.0
83.08612	17.6
85.59434	7.8
91.05473	22.8
93.07038	79.5
95.04961	10.3
95.08601	85.0
97.06524	9.0
97.10162	13.8
97.17133	8.6
105.07025	50.1
107.08598	75.0
109.10172	58.6
119.08573	30.7
121.06495	8.8
121.10157	42.5
123.08042	10.4
123.11729	42.3
123.68322	8.8
125.09660	12.1
127.01221	16.4
133.10124	27.0
135.11681	42.7
137.05971	15.8
137.15628	9.1
145.06467	10.4
147.11693	19.8
149.13264	72.2
151.07497	12.1
151.11145	10.6
163.14755	13.4
165.07060	8.6
165.12708	11.6
173.13205	9.7
177.16447	11.6
189.16290	17.2
189.20039	8.3
225.09212	10.7
251.01656	9.7
253.08673	10.2
305.24832	35.5
313.10504	9.4
313.13864	11.1
327.12296	29.8
328.12585	9.6
339.89520	10.1
359.15009	25.0
360.15186	11.9
360.28653	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.7
53.06234	7.6
55.01862	8.8
55.05503	35.8
62.63105	7.5
63.38747	7.6
67.05515	55.1
69.07058	36.5
70.42210	7.1
71.04964	8.6
71.29266	9.4
79.05488	37.4
81.03374	7.0
81.07059	100.0
82.59576	7.3
83.05003	18.5
83.08611	23.1
91.05478	40.7
93.07047	86.3
94.25319	6.9
94.43796	8.2
95.04964	12.8
95.08622	89.0
97.06505	14.8
97.10158	20.0
99.02766	7.4
105.07038	39.7
107.04967	12.0
107.08609	58.9
109.10135	61.0
111.08043	10.8
111.11678	7.3
114.42054	7.3
117.06989	8.1
119.08586	33.2
121.06467	9.1
121.10169	53.6
123.08056	10.8
123.11732	33.8
128.41420	8.1
129.07007	10.0
131.08569	11.0
133.10152	35.3
135.11717	31.7
137.09593	10.6
143.08597	19.4
145.10109	20.6
147.08067	10.8
147.11714	12.8
149.13261	48.3
151.03880	16.8
151.44600	8.3
157.10077	10.1
159.08046	19.5
159.11755	20.9
161.13269	16.5
163.07562	13.3
163.14778	16.3
165.12787	10.5
167.08571	8.0
173.09612	11.5
175.07481	10.2
177.16423	12.4
183.70372	8.4
197.09564	11.8
197.55777	7.9
201.16338	10.3
259.24179	12.2
283.13541	8.2
305.24741	15.7
341.17651	12.8
359.11331	7.9
359.22385	82.7
360.21991	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.7
55.01858	6.2
55.05514	62.4
57.07058	7.0
64.63207	5.5
67.05500	43.8
69.03417	12.7
69.07066	51.5
69.24439	44.8
71.04992	6.7
73.14725	6.7
78.65273	5.8
79.05482	32.5
81.07058	100.0
83.08644	12.1
83.33362	6.6
83.37427	5.5
85.06534	20.1
91.05499	14.9
91.22705	6.3
93.07053	47.7
95.04961	10.6
95.08619	74.0
97.06551	8.1
97.10169	85.7
97.12193	6.9
98.25315	6.1
98.37689	5.8
99.08095	6.5
105.07021	28.4
107.04956	11.2
107.08598	59.5
109.06508	11.2
109.10164	51.8
111.08078	11.2
111.11720	12.1
119.08583	23.6
121.02892	11.2
121.10143	37.5
123.04449	9.6
123.11711	52.5
123.34769	5.9
125.06046	8.7
125.09622	21.3
133.10115	10.3
135.11674	25.6
137.13261	14.3
139.03845	8.3
139.11156	16.2
143.10692	27.4
149.13258	42.7
151.03932	29.9
153.05478	11.0
159.08089	7.4
161.13257	7.3
161.99503	6.8
163.07611	6.5
163.14836	13.2
167.10730	11.2
167.14275	8.6
169.06433	8.8
181.04973	9.7
185.11778	10.3
187.07590	8.1
189.09090	9.3
195.07901	6.9
197.06088	12.4
210.06767	9.4
211.07436	7.9
223.07478	11.3
224.08168	7.8
225.09079	10.3
227.66844	6.8
238.09930	8.9
239.07156	7.9
240.07745	21.6
253.08728	31.7
253.12222	14.7
254.09364	7.6
266.09122	9.9
267.10141	9.7
269.08008	13.1
274.50861	6.9
281.08539	8.2
281.11554	9.3
283.09607	11.3
285.11057	10.9
299.12656	10.0
300.09967	8.3
305.24756	22.0
313.11047	33.6
313.14188	15.5
323.25827	8.1
327.12280	35.8
341.13644	15.1
359.14832	57.6
359.19250	11.8
360.29056	15.5
384.44238	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67127	1.6
51.13920	1.6
53.03944	2.6
55.01875	4.8
55.39041	1.8
57.03194	1.9
57.03438	8.4
61.02927	11.8
65.03933	4.1
69.03430	20.3
69.53394	5.1
69.53806	5.1
71.05006	3.1
73.02918	6.0
81.03415	7.2
85.02908	100.0
86.09699	2.9
87.04469	3.6
87.91895	1.7
91.03951	6.2
91.05486	5.5
93.03414	9.1
97.02901	28.0
99.04451	3.7
107.04967	5.3
109.02904	8.3
111.04450	21.1
123.04464	2.9
127.03928	21.6
135.04427	38.4
137.05948	3.5
139.03902	75.3
143.22694	1.9
145.04958	38.4
147.04443	3.8
153.05600	2.0
161.05946	2.8
162.05637	2.5
163.03915	23.1
163.06094	5.2
163.07523	4.3
173.05983	2.6
173.13580	1.7
175.07527	3.0
177.09093	10.0
180.08743	11.8
181.04973	83.7
182.05289	2.1
190.08633	2.8
191.06975	10.3
198.07619	3.2
208.09764	18.9
215.05168	2.7
247.05745	2.9
253.64108	2.2
310.26251	1.9
360.13922	4.6
361.08853	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47989	0.7
54.56675	0.7
65.03940	2.6
69.03434	1.4
70.26907	0.9
71.29912	1.0
75.98364	0.7
79.05483	1.3
81.06996	0.9
85.02898	3.4
86.23441	0.8
91.05463	2.3
93.03392	2.9
95.04996	1.2
97.02870	1.1
103.05462	1.7
105.07021	1.6
107.04964	2.3
108.02100	0.8
111.04434	2.4
121.02863	2.5
121.45499	0.8
121.68023	0.8
122.03680	0.7
123.04454	1.6
125.05988	3.6
126.06339	1.8
127.03882	0.7
129.07060	0.9
131.04958	1.4
131.08453	0.9
133.02853	2.9
135.04404	2.5
135.08064	1.2
137.05971	4.4
138.06317	2.2
145.04987	1.3
145.06419	1.7
145.31798	0.8
147.04391	2.3
149.02341	100.0
150.02679	3.1
150.06358	1.0
151.03911	14.0
151.05023	1.4
151.07590	2.4
152.04251	7.9
152.07870	1.3
153.05463	4.8
154.05832	3.1
157.06429	0.8
161.05962	5.8
161.09648	1.6
162.06322	3.6
162.10002	1.1
163.03902	67.7
163.07486	4.3
164.04233	2.8
165.05461	2.5
166.05766	1.2
167.07036	1.2
177.05486	0.8
181.04964	26.8
181.08603	2.8
189.09087	4.8
190.09460	2.6
191.07063	2.4
192.07303	1.2
193.08632	1.3
194.08994	1.6
195.10182	1.0
207.10170	2.2
208.10278	2.8
215.05269	2.7
222.10114	1.2
225.08807	0.7
236.10088	1.1
254.08949	0.9
254.12344	0.9
282.11981	1.2
286.11536	2.1
288.13297	1.6
314.11050	2.3
314.14664	2.2
324.13098	0.9
332.15668	1.3
340.09137	0.9
342.14227	2.9
343.07947	2.0
360.15210	11.6
361.08948	19.2
366.25415	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
57.03427	1.9
60.99066	0.5
63.47216	0.6
67.05500	0.7
68.99783	1.3
69.03437	1.4
70.06586	2.4
71.14057	1.1
77.12568	0.5
79.05490	2.2
81.03415	1.0
81.07059	1.3
83.01350	0.9
83.05039	0.6
85.02915	2.8
91.05463	1.6
92.56866	0.6
93.07056	1.5
95.04967	1.9
95.08623	0.9
97.02883	0.6
103.05478	0.9
105.07040	2.0
107.04961	7.6
107.08591	2.4
109.06517	0.7
115.05437	1.0
117.07036	3.0
119.04938	2.3
121.06517	4.9
123.04435	18.3
127.03928	0.6
131.04904	1.2
134.08273	0.6
135.04431	2.2
135.08051	6.6
136.07573	1.8
137.05969	2.5
138.06313	0.8
141.05435	0.5
145.05164	0.6
145.06502	3.4
147.04439	6.7
148.05130	1.1
149.05971	4.0
151.03917	1.9
153.05440	0.9
161.05911	1.3
163.03896	2.3
163.07552	18.2
164.07941	0.8
165.05469	4.3
173.05992	6.0
175.07596	1.0
179.07056	5.5
180.07431	0.9
181.08595	16.2
188.06976	1.1
190.08629	13.6
191.07039	60.5
192.07402	2.4
199.09561	0.6
203.07040	1.9
208.09695	100.0
209.10040	4.8
220.09770	0.8
240.10915	0.7
308.36273	0.6
325.10614	3.8
342.13486	2.8
343.11523	2.8
360.13834	16.7
360.18042	1.9
361.14578	1.7
361.18329	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41750	0.4
55.01865	0.9
57.03418	1.2
57.12974	0.4
68.42038	0.4
68.99796	1.6
69.03420	1.1
69.39704	2.5
70.06592	2.9
77.03944	0.5
79.05501	0.6
81.07044	1.7
83.01323	0.7
85.02897	1.1
91.05485	2.3
93.07024	0.9
95.04958	2.0
95.08597	0.8
103.05453	0.5
105.07030	1.6
107.04950	2.0
107.08569	1.1
109.02840	0.5
115.05471	1.1
117.07003	2.9
119.04928	2.9
119.08607	0.5
121.06501	3.5
123.04424	31.8
124.04749	0.6
127.03784	0.5
134.47311	0.5
135.04417	2.8
135.08041	4.0
136.07570	1.8
137.05989	2.2
139.03920	0.6
145.06500	2.2
147.04404	8.7
148.04723	0.5
149.06015	3.5
151.03897	2.0
157.06528	1.0
161.06006	1.8
163.03911	1.7
163.07544	15.6
164.07895	0.9
165.05490	4.4
167.05521	0.4
167.06987	1.0
173.06004	5.5
175.07524	0.9
179.07013	6.0
179.10611	0.6
181.08607	1.1
185.05928	0.7
189.05461	0.8
190.08617	11.6
191.07025	60.7
191.42352	0.5
192.07368	2.1
198.12024	1.3
200.94644	0.4
203.06944	2.9
207.06508	0.8
208.09682	100.0
209.08159	0.7
209.10014	4.9
215.20496	0.4
220.09669	1.8
248.08571	0.6
307.09329	0.5
325.10608	5.0
326.10654	0.6
342.13312	4.7
343.11606	2.9
360.14355	22.2
361.14651	1.9
377.74503	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.15
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	9.6
61.02933	28.4
69.03416	17.5
70.11360	9.9
70.11747	10.4
73.02914	16.0
81.03434	26.5
85.02438	6.6
85.02907	100.0
91.03947	36.4
97.02907	34.3
99.04455	5.3
109.02866	28.8
119.01957	6.7
127.03927	46.9
131.57463	4.6
145.03551	5.0
145.03767	5.8
145.04971	51.4
147.04417	5.7
152.06956	5.7
163.06026	48.0
166.28014	4.5
173.02969	5.2
181.07104	14.8
191.07028	6.5
198.07417	9.0
199.05835	5.5
258.08136	4.4
360.08719	38.2
360.12906	4.8
361.08792	8.7
361.13538	4.4
373.89972	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.0
61.02903	0.8
68.99796	0.8
69.03416	3.1
70.45627	1.1
70.45963	1.6
72.08148	1.7
77.03904	0.7
81.03400	1.5
82.33670	0.9
85.02905	11.5
86.09647	1.1
91.05460	1.9
95.04940	0.9
97.02891	3.0
107.04938	1.9
109.02842	1.0
112.27970	0.9
116.10316	0.8
117.06995	1.7
118.08654	0.9
119.04872	0.9
121.06503	1.1
123.04426	100.0
124.04729	3.2
127.03924	2.0
135.04434	1.7
135.08052	3.6
137.05960	1.3
145.04947	2.1
145.06479	3.4
147.04417	3.5
161.05875	1.2
163.07532	33.2
164.07857	1.8
165.05449	1.2
173.05936	2.1
179.06978	1.3
180.08658	0.9
181.08633	6.0
190.08641	2.9
191.07031	17.9
208.09683	20.9
225.61487	0.9
252.01862	0.8
315.39859	1.0
325.10434	1.0
342.13235	1.4
343.11740	1.6
360.13910	6.3
361.18222	1.0
377.87326	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
53.93979	0.6
57.03442	1.1
61.02929	0.9
65.33164	0.5
67.05499	0.7
69.03420	1.3
69.72488	2.0
69.72901	1.0
70.06589	2.3
79.05497	0.8
81.03427	0.8
81.07068	0.7
85.02899	5.6
87.37283	0.6
91.05480	1.5
95.04942	1.1
97.02888	1.4
103.05455	0.8
105.03375	0.8
105.07045	0.8
107.04959	1.4
109.02869	0.8
115.05499	0.7
116.33991	0.6
117.07008	2.4
119.04958	1.2
121.06513	1.2
123.04424	100.0
124.04803	3.3
127.03911	0.9
131.04930	2.1
135.08026	2.4
136.07549	1.0
137.05978	2.1
138.06316	0.7
145.04953	1.1
145.06471	3.6
147.04401	3.2
149.05971	1.0
151.03882	1.1
151.07397	0.5
161.05989	1.6
163.07536	28.4
164.07889	1.4
165.05511	1.8
173.06006	2.5
173.08144	0.5
179.07051	2.2
180.08650	0.8
181.08597	6.2
190.08667	3.5
191.07016	18.9
192.07422	0.6
197.11890	1.0
198.02443	0.7
203.07037	1.0
203.46492	0.6
207.06613	0.7
208.09682	30.8
209.09950	1.4
240.43565	0.6
325.10645	1.6
342.13446	1.0
343.11823	0.8
360.14407	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.3
55.05511	33.6
57.03442	13.3
59.05005	11.9
61.70597	5.9
65.41763	5.1
67.05513	66.2
68.77533	5.1
69.03427	15.4
69.07069	94.3
69.09860	25.1
69.10289	23.8
69.28219	5.6
70.04190	5.2
71.01366	9.3
71.04996	49.8
73.02909	11.8
75.21943	5.0
79.05495	66.2
80.42181	5.3
81.03405	21.5
81.07063	71.0
83.04977	15.7
83.08613	14.6
84.02135	12.5
91.05476	53.2
93.07060	40.4
95.04984	16.7
95.08607	24.6
97.06530	100.0
97.10155	9.8
105.04507	10.3
105.07010	32.0
107.04992	7.5
107.08591	20.0
108.05795	6.4
109.06492	15.2
109.10198	12.1
111.08157	6.1
115.07573	41.9
117.06995	9.9
119.08576	21.8
121.06514	7.3
121.10143	11.2
123.11653	6.2
125.09596	8.3
128.06157	5.4
131.08595	9.9
133.10172	10.5
133.13722	6.3
135.11708	5.9
147.11646	8.1
149.13184	5.9
157.10107	7.2
159.11653	6.8
189.11261	7.5
194.13033	16.1
223.29036	6.1
229.60986	6.0
255.09607	5.6
314.10913	12.6
329.13437	8.7
338.55359	6.1
360.15509	14.3
361.23706	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.4
54.55491	5.8
55.05508	21.7
58.99694	5.4
63.32061	4.6
64.17424	5.1
67.05499	30.2
69.07048	24.0
70.32613	17.0
71.05001	35.7
73.05586	4.8
73.06590	5.0
79.05475	31.4
81.07057	18.9
83.08646	8.0
85.02924	5.4
91.05481	14.3
93.07054	36.9
95.04940	4.8
95.08600	18.9
97.06553	6.3
97.10188	7.9
97.53839	4.9
105.07037	14.8
107.08550	23.6
109.06647	5.3
109.10167	23.2
121.10133	26.2
123.04443	6.4
125.06006	20.7
133.10123	6.0
135.59908	5.4
138.03145	8.6
143.08546	6.2
144.58760	6.1
145.10126	6.7
153.05467	100.0
153.12767	12.8
157.06474	5.7
173.11719	39.8
175.07549	7.7
189.11237	12.3
197.09554	5.8
199.03995	5.5
199.07547	6.0
207.10104	10.6
212.08627	4.7
213.05548	9.5
221.11734	13.6
227.06992	5.7
229.05058	7.3
241.04991	5.9
259.06006	8.3
275.20120	16.0
283.13226	15.0
303.08685	14.7
311.12717	24.2
329.13815	71.4
332.15747	8.5
360.15414	10.1
361.16531	72.3
361.20938	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18838	0.6
69.03422	0.8
71.29327	0.7
79.05476	1.5
79.68667	0.6
81.03399	0.6
81.07088	0.8
83.04986	0.5
85.02920	2.9
86.09692	0.9
91.05476	4.1
107.08581	1.1
109.06505	0.6
109.10179	0.7
119.04944	10.7
119.54713	0.5
123.04465	0.7
125.06061	0.6
132.04198	5.2
135.08083	1.8
137.05965	3.8
147.04404	35.4
148.04756	1.1
149.65036	0.5
163.07559	2.9
165.09122	1.6
167.07040	1.7
169.02606	17.3
170.02913	0.6
175.06050	1.4
179.03183	1.7
179.05502	2.7
181.04958	0.8
181.08649	0.9
182.05313	0.6
185.51944	0.5
187.03714	1.5
190.04778	0.7
191.05525	18.9
191.07227	1.3
192.06201	3.4
197.04185	7.4
198.91766	0.6
199.09627	1.9
204.06342	3.0
208.09641	0.6
209.09760	0.7
215.05264	20.5
216.05751	0.7
231.01088	0.5
301.11578	5.6
343.07925	6.4
343.12668	12.2
344.12976	0.9
361.08939	51.6
361.13739	100.0
362.09256	4.0
362.14059	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
63.51922	1.0
65.03926	2.6
82.97655	1.3
89.06194	1.0
91.05485	14.2
98.22569	2.9
118.09039	1.1
119.04940	33.2
147.04408	100.0
148.04767	3.0
164.04549	1.2
167.07059	2.5
169.02611	55.0
170.02969	2.4
175.78120	1.3
179.03108	1.7
187.03693	4.0
197.04239	8.9
197.29680	1.1
215.05270	60.6
216.05760	1.3
218.17778	1.0
229.00047	1.9
315.04065	1.4
343.07861	11.8
361.08954	80.5
361.13858	3.9
362.09344	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49672	0.5
69.03400	0.6
71.29541	0.7
75.41582	0.5
79.05466	0.8
81.03474	0.5
85.02921	2.3
91.05470	1.9
93.07062	0.5
95.04964	0.5
97.02881	0.6
105.07000	1.3
105.25402	0.4
107.04919	0.5
107.08566	0.6
111.04407	0.7
113.72973	0.4
119.04933	1.5
122.09695	0.8
137.06003	1.0
139.03847	1.2
147.04379	3.4
151.03871	0.5
155.97594	0.4
163.07565	0.8
169.02602	1.8
179.05539	0.6
181.08542	0.6
185.04205	2.0
199.05768	100.0
200.06146	3.4
215.05244	1.7
218.64284	0.4
287.84100	0.4
301.11124	0.5
343.07858	0.6
343.13269	0.7
361.10922	18.7
361.14441	3.3
362.11282	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1127
Annotation	Glucosyringic acid
Peak:m/z	Relative Intensity
53.03936	3.5
65.03953	2.9
66.57842	2.7
67.05502	3.5
70.06592	3.4
72.08154	5.1
74.06062	5.2
79.36732	2.4
84.08147	5.5
85.02914	2.8
86.09720	13.3
95.04984	14.7
107.04912	3.7
123.04434	19.5
125.02348	5.1
131.04881	6.8
135.33701	2.6
137.05966	10.3
140.04681	74.4
147.04372	3.2
151.03914	33.0
151.05058	4.3
153.05516	4.6
155.07033	29.3
163.07513	5.7
173.08058	3.2
177.05347	3.3
181.04912	5.4
191.07013	16.4
192.07382	6.5
199.05873	100.0
208.09697	8.8
209.10040	10.4
219.06549	3.2
361.07166	2.9
361.10425	16.9
361.14407	17.1
361.19138	3.6
361.20715	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53414	2.0
61.00457	2.2
65.03957	2.3
65.19291	1.8
67.05495	2.7
69.03431	6.1
71.04984	3.2
71.73730	1.9
79.05495	4.2
81.03419	3.6
85.02922	9.9
87.97200	2.2
91.05486	12.6
93.07037	3.8
95.04935	2.7
97.02898	5.5
97.06553	3.6
105.07059	2.6
107.04942	2.6
107.08605	4.1
109.02949	1.9
109.10214	2.7
111.53864	2.0
116.56852	1.9
117.07056	3.0
119.04933	17.9
119.07355	2.9
119.08561	4.2
121.06516	3.5
121.10114	2.7
123.04446	4.6
127.03899	3.4
131.04829	1.9
135.08015	5.3
137.05972	14.4
139.03893	2.6
147.04416	54.8
147.08020	4.0
149.05939	2.3
163.07578	11.0
169.02592	28.2
179.03140	3.4
181.08554	6.0
185.04298	2.3
191.05540	5.5
191.91534	2.1
195.48854	1.8
197.04272	10.9
199.05855	3.7
199.09544	12.1
203.05322	2.3
208.09557	2.6
209.10036	4.0
215.05264	36.9
243.00389	2.3
299.14871	2.0
301.11496	2.1
315.04865	2.7
316.11713	3.2
343.07892	7.7
343.12759	5.8
361.08768	57.8
361.13260	100.0
362.09146	3.2
362.13370	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	1.7
55.01867	1.7
58.99374	1.2
63.39559	1.4
69.03418	3.6
71.02917	2.8
74.49409	1.3
78.21147	1.7
79.05482	1.8
80.44183	1.7
81.03426	15.6
81.07072	1.9
85.02919	7.9
86.54888	1.8
91.05486	5.5
93.07034	2.9
94.04190	2.5
97.02863	4.3
103.05486	1.5
105.07010	2.4
107.08582	1.9
108.72971	1.3
111.04458	1.3
117.06979	3.0
119.04953	5.9
121.06519	3.1
122.03635	3.8
123.04417	5.8
131.04919	3.5
133.06505	2.3
135.08115	2.6
137.05981	100.0
138.06354	3.3
145.06453	1.7
147.04388	17.4
148.04669	1.9
149.05957	1.8
151.03835	1.6
151.07555	9.8
160.05219	2.4
163.07614	8.3
165.05493	2.2
167.06998	3.3
169.02596	6.7
174.06340	1.9
175.07550	6.2
176.07991	1.7
177.09111	4.8
179.07040	3.2
181.08627	6.1
187.07593	3.4
191.05521	2.1
191.07027	8.5
191.08661	2.4
192.07446	8.0
193.08775	1.5
197.04218	3.3
197.05914	1.9
199.09563	2.4
203.07005	3.6
208.09686	8.4
209.08186	3.0
209.10054	11.9
215.05296	8.7
217.03812	1.8
229.08725	2.0
232.96523	1.4
243.10057	1.6
255.66351	1.6
299.14609	2.8
315.14072	2.1
343.07736	3.9
343.13419	2.1
361.08868	22.2
361.14310	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.149
Annotation	Stansioside
Peak:m/z	Relative Intensity
58.81105	5.8
79.05495	10.4
81.03429	17.2
84.23515	6.4
85.02919	11.0
91.05450	7.4
93.07063	16.0
98.22606	12.3
100.69288	7.3
117.07016	7.2
121.06462	15.2
123.04430	14.0
127.03952	6.5
137.05983	100.0
139.07523	7.9
147.04453	14.6
149.05864	7.9
151.07530	20.1
163.07568	15.6
167.07059	73.6
169.02570	7.4
177.09138	12.1
178.09473	12.0
191.07170	8.4
199.09683	12.3
209.10025	16.5
236.24284	6.0
263.20813	6.7
361.08884	25.4
361.14429	46.2
361.18442	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.01860	3.5
69.17873	12.9
70.21175	1.4
72.29630	1.7
78.04716	1.6
79.05492	16.6
81.07028	3.8
83.04987	1.6
85.02875	1.9
87.55796	1.6
91.05486	28.1
93.07036	10.2
95.04942	7.9
98.22624	3.5
103.05499	14.7
103.06091	2.7
105.03411	2.0
105.07039	15.8
106.04227	2.2
106.67155	1.7
107.04273	3.4
107.04958	41.1
109.06536	2.8
115.05442	3.7
116.06261	2.7
117.07025	7.7
119.04918	7.2
119.08572	2.7
120.05717	3.0
121.06512	22.6
122.03629	2.2
123.04459	8.1
124.05239	6.5
125.05995	4.6
128.06192	8.7
129.07007	31.1
131.04922	13.5
131.08572	13.1
133.02861	3.8
133.06459	5.1
135.04454	2.8
135.08037	9.0
136.05092	3.4
137.05966	24.7
141.07019	2.3
142.07770	1.6
144.05701	2.4
145.06511	7.7
146.03687	2.1
146.07231	3.3
147.04395	6.5
147.08054	3.7
148.05161	3.9
149.05988	5.9
149.09554	1.6
150.06706	2.2
151.03932	4.3
151.07542	23.6
152.04665	4.5
152.06241	2.9
153.05475	16.9
153.06801	2.8
154.05864	1.9
155.07080	2.5
155.08501	2.0
157.06493	19.6
158.07158	2.0
159.07941	2.1
160.05101	2.0
161.05980	38.2
161.09639	11.5
163.07538	24.4
165.05643	3.6
165.07027	13.6
165.09077	11.5
166.06253	10.8
166.07578	2.9
167.07057	74.4
167.08519	6.7
168.07362	2.9
173.05963	1.9
174.06744	13.2
175.07550	9.9
177.05583	2.3
177.09120	13.2
178.07700	2.9
179.07021	5.8
179.08591	5.4
179.10654	2.6
181.06616	6.5
181.08601	100.0
182.07257	10.5
182.08936	5.1
183.07979	4.9
187.07558	3.5
189.09103	76.2
190.07787	3.3
190.09430	4.3
191.07024	2.4
191.08577	6.3
191.10646	2.9
193.06516	3.4
193.08554	2.2
194.07274	6.8
195.08055	9.9
195.09822	1.4
197.06076	2.7
197.09612	13.8
199.07550	3.0
203.10693	1.9
205.06554	1.9
207.08032	6.4
207.10181	13.3
208.05200	2.4
208.08804	5.9
209.09448	2.7
210.06715	8.1
211.07481	4.9
212.08357	3.2
219.08026	6.0
219.09996	1.8
221.05952	6.5
221.09583	2.8
221.11600	1.9
222.06708	3.4
223.07477	10.1
223.11116	3.6
224.08395	4.9
225.05493	2.9
225.09058	19.7
227.07033	6.5
227.10536	2.2
229.12222	4.3
235.07542	4.3
236.08290	5.4
237.05476	1.8
237.09079	4.1
239.06981	5.5
239.10756	2.9
240.07848	7.7
241.08688	4.6
242.09485	3.3
247.07547	4.7
251.07076	4.7
251.10710	8.2
253.08566	15.4
254.09314	3.0
255.06514	3.9
255.10225	5.1
257.09180	1.9
257.11737	14.0
267.10074	5.0
268.07327	3.5
269.08026	2.9
270.08820	3.4
270.76047	1.8
271.09412	1.8
271.13339	2.8
279.10208	4.8
281.08170	2.7
283.09674	12.6
283.13229	10.2
284.10306	2.0
285.07895	4.0
285.11169	34.7
285.14139	3.2
286.11728	3.8
296.10468	2.7
297.11325	4.1
299.09283	2.9
299.12668	4.0
302.11417	4.4
311.12625	6.7
314.11383	2.2
315.12238	19.2
317.13907	22.2
329.13779	2.3
331.15295	2.4
343.15335	11.6
361.16571	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1644
Annotation	(8R,8'R,9R)-4,4',9-trihydroxy-3,3'-dimethoxy-9,9'-epoxylignan
Peak:m/z	Relative Intensity
54.24294	2.8
55.01870	3.0
57.25636	3.1
69.16077	26.5
69.16475	5.4
79.05488	6.3
80.84306	2.8
81.08979	3.1
85.98065	2.7
91.05483	21.9
94.04211	3.4
99.05846	3.0
103.05463	6.7
105.06346	3.7
105.07027	5.7
107.04924	14.3
119.04964	16.1
121.06516	7.2
122.03642	9.6
128.06210	3.5
129.06992	10.3
130.18607	3.1
131.04910	6.0
131.08549	4.1
133.06458	5.5
135.08080	7.4
137.05980	100.0
138.06303	5.0
146.07285	5.9
147.04399	6.1
148.05162	3.9
149.05937	9.4
151.07539	54.9
152.06169	3.2
157.06561	4.6
160.93091	2.7
161.05969	64.8
161.09628	10.8
162.06424	4.6
163.07555	27.3
165.09128	5.1
167.08530	7.6
174.06702	7.1
175.07535	10.6
177.09148	4.7
181.08595	3.8
189.09082	47.3
190.09503	4.0
191.07097	5.7
193.06378	3.3
193.08543	3.4
195.08012	9.7
196.08646	3.2
207.10197	34.4
211.07594	3.6
221.05829	5.4
221.09560	3.5
224.08423	3.8
225.09065	5.4
227.10596	12.2
237.09111	3.3
253.08463	7.6
253.12305	5.7
255.10085	14.1
267.10132	3.7
278.77219	3.2
281.11642	3.7
285.11215	12.4
287.12793	22.9
299.12811	5.5
313.14319	12.5
331.15262	7.4
384.35217	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1644
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
53.03943	7.4
53.11961	2.2
55.01878	4.5
65.55445	2.5
68.99777	4.4
69.16431	6.4
69.16847	15.2
69.53816	2.3
71.26137	2.6
79.05503	15.3
81.03433	3.2
81.07063	4.4
85.02926	3.7
91.05482	31.2
93.03378	2.5
93.07047	14.7
95.04961	6.8
95.08630	3.4
103.05469	18.1
105.04563	2.7
105.07067	18.0
106.04118	2.9
107.04959	40.8
109.06527	3.3
110.03664	4.2
111.04461	5.0
115.05447	4.1
117.07026	8.2
119.04966	9.2
119.08585	2.9
121.06516	25.9
122.03648	4.4
123.04426	12.6
123.08064	3.8
124.05239	6.6
125.06007	7.9
128.06238	11.6
129.07018	29.1
131.04893	13.4
131.08556	13.9
133.06488	8.0
135.04434	7.0
135.08087	9.0
137.05989	47.8
138.06439	3.9
139.06471	2.9
139.07487	3.3
141.07094	4.3
143.04980	3.1
143.08646	4.0
145.06493	9.4
147.04431	8.0
147.08046	4.4
148.05183	5.0
149.06018	11.0
151.03906	18.7
151.07538	24.2
152.04707	6.2
153.05452	16.3
155.06029	4.0
157.06508	27.1
157.41769	2.6
159.08101	3.8
161.05992	55.1
161.09590	14.5
162.06718	3.3
163.07559	25.9
165.05618	4.1
165.07016	12.4
165.09148	11.7
166.06297	8.6
167.07069	82.7
167.08534	8.3
168.07430	4.0
169.06480	4.7
174.06760	13.3
175.07532	11.9
177.09134	12.4
179.07150	4.4
179.08569	6.5
181.06371	5.5
181.08607	100.0
182.07281	7.4
182.08942	5.7
183.08028	3.0
184.05266	3.0
187.07458	4.0
189.09113	95.8
190.09523	4.2
191.07019	4.3
191.08597	6.4
191.10648	6.2
193.05008	7.1
193.06590	4.6
194.05458	2.8
194.07294	7.4
195.08017	15.9
196.08862	5.1
197.09718	15.4
199.07553	10.1
207.08286	5.2
207.10194	20.7
209.09767	4.8
210.06755	8.6
211.07487	7.3
219.08008	7.7
219.10063	4.6
221.06085	7.5
222.06779	3.9
223.07617	9.0
223.11209	6.8
225.05647	3.6
225.09142	20.9
227.06985	7.0
229.12178	3.9
236.08351	5.3
237.09116	4.8
239.07066	6.8
239.10529	4.8
240.07826	7.5
241.08662	3.8
251.07054	5.2
251.10675	4.8
253.08652	12.7
255.06581	5.7
255.10196	8.9
257.08264	4.4
257.11752	21.1
265.08597	4.7
266.09097	2.8
269.08127	5.2
270.08841	5.1
271.13168	3.1
279.10379	4.9
283.09711	13.2
283.13315	9.1
285.08231	4.7
285.11224	36.9
287.12820	5.6
297.11200	7.3
299.12750	8.1
300.10254	3.1
302.11450	4.9
311.12732	11.2
315.12280	21.4
317.13794	18.0
329.13840	3.6
343.15387	8.7
361.16800	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1643
Annotation	Lariciresinol
Peak:m/z	Relative Intensity
53.03943	1.0
55.01862	1.3
55.05494	0.5
57.03419	0.5
59.42669	0.4
65.03925	1.9
65.66570	0.4
67.05486	1.4
70.32353	1.0
71.01328	0.5
77.03914	0.7
79.05474	1.3
81.07042	1.3
82.55663	0.4
85.06495	0.5
91.05475	14.8
92.05807	0.6
93.03382	0.6
93.07030	1.3
94.04211	0.5
95.04955	2.0
95.08601	1.0
97.54265	0.5
102.76026	0.5
103.05470	4.5
104.06358	0.5
105.03388	0.5
105.07037	6.8
107.04953	2.0
107.08607	0.8
108.02084	0.8
109.06506	0.9
109.10087	0.6
111.04430	1.2
114.07911	0.4
115.05428	2.4
116.06241	3.0
117.06998	2.0
119.04943	4.8
120.05678	2.1
121.06528	1.2
123.08154	0.5
125.05996	5.5
129.07007	4.1
131.04924	13.6
131.08563	32.4
132.08925	1.2
133.06491	4.8
133.10191	0.6
135.04416	1.3
135.08035	2.9
135.65549	0.4
136.05214	0.5
137.05972	5.3
137.09616	0.5
141.05458	1.4
141.06990	3.7
143.08617	0.5
144.05716	3.3
145.06494	2.2
147.04407	59.3
148.04855	2.0
149.05984	5.7
149.09596	0.8
150.06770	5.4
151.03912	48.2
151.05013	6.4
151.07533	12.1
152.04253	1.3
152.07892	0.7
158.07263	2.9
159.08055	20.4
160.05234	0.6
160.08678	1.0
161.05969	2.9
161.09633	0.9
162.06734	2.1
163.07536	56.9
164.07907	1.8
165.09113	24.4
165.69827	0.5
166.09457	1.0
167.07050	1.2
167.08423	0.4
169.06462	1.1
169.07707	0.7
173.09647	4.1
175.07523	1.0
176.04713	2.0
176.08318	4.3
177.09105	1.4
177.16240	0.4
178.06374	0.8
178.07777	0.7
179.07030	11.2
179.08409	0.6
181.08611	1.3
187.07535	13.4
188.07951	0.6
189.09042	0.8
190.07803	0.6
191.07027	29.8
191.10663	33.9
192.07382	1.4
192.10980	1.6
194.07356	0.5
194.09332	0.8
195.08099	0.8
197.09709	0.6
199.78230	0.4
201.09105	1.5
204.07808	0.6
205.08478	0.9
205.10201	1.1
207.08032	0.9
209.08139	5.7
209.11719	100.0
210.12088	5.2
211.07433	0.5
219.08029	1.1
219.10153	21.6
220.10681	0.8
221.05930	0.6
221.09610	1.0
223.07587	0.7
224.08211	0.7
233.09589	1.6
233.15280	0.5
235.07549	1.1
236.08334	0.6
237.09192	1.1
237.11195	27.3
238.11537	1.3
239.06778	0.5
239.10637	1.0
241.08614	1.4
249.09052	0.6
250.09929	1.2
251.10484	0.6
252.07771	0.6
253.08548	0.8
254.09398	1.4
257.59833	0.4
261.09143	1.2
264.07858	1.1
265.08658	1.8
265.12247	2.0
266.12817	0.4
267.10123	3.3
269.08127	1.5
279.10257	0.6
281.08017	0.7
282.08896	3.5
282.11786	0.6
283.09415	1.1
284.10446	3.6
285.11026	0.4
293.11703	4.3
294.12292	0.9
295.09610	1.2
296.10593	0.6
297.11224	10.6
297.14868	3.4
298.11514	0.9
310.11914	2.8
311.12747	0.7
315.12201	1.4
315.15741	0.9
317.59781	0.4
325.14307	5.8
343.15417	11.5
344.15704	0.7
361.16443	26.4
362.16650	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1641
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
51.02397	1.1
53.03943	4.0
55.01868	2.2
55.05508	1.3
57.03448	1.2
65.03945	2.3
67.05515	1.1
69.08199	9.0
77.03936	1.8
78.04723	3.5
79.05488	15.8
81.03418	1.5
81.07071	3.1
82.12871	0.9
83.04984	1.2
91.05476	32.2
92.05799	1.0
93.03415	1.2
93.07046	14.4
94.04193	1.1
95.04965	12.6
95.08630	1.0
103.05465	15.5
105.03435	2.1
105.04517	3.0
105.07026	14.8
106.04212	1.5
106.07455	1.1
107.04951	41.0
107.08613	1.5
109.06542	2.8
110.03669	1.3
111.04440	1.8
115.05469	6.4
117.03392	0.9
117.07010	7.3
118.04174	1.6
119.04948	8.3
119.08586	3.1
120.05711	4.4
121.02879	1.2
121.06504	24.7
122.03666	2.6
123.04433	9.6
123.08099	1.6
124.05206	6.7
125.05986	3.7
128.06192	10.1
129.07002	34.2
131.04921	11.6
131.08557	14.3
132.05675	1.7
133.02866	4.0
133.06487	6.7
135.04425	5.2
135.08049	8.3
136.05174	2.1
137.05969	24.8
138.03168	1.6
139.07556	1.5
140.04668	1.8
140.96193	1.0
141.06998	2.9
143.04910	1.5
143.08525	1.0
144.05692	2.3
145.06465	8.4
146.03630	2.5
146.07294	5.7
147.04413	6.6
147.08041	2.5
148.05171	6.0
149.05989	8.9
149.09666	1.4
150.06824	2.4
151.03928	6.4
151.07527	21.1
152.04688	6.1
152.06207	2.7
153.05476	17.7
153.06963	3.3
154.07756	2.4
155.05984	1.9
155.07079	3.7
155.08553	1.7
156.05766	1.4
157.06488	23.0
157.07695	1.7
158.07243	2.4
159.08090	3.1
161.05969	55.9
161.09601	16.9
162.06485	2.1
163.07524	23.3
165.05521	2.7
165.07028	11.6
165.09091	10.3
166.06290	13.1
166.07739	3.5
167.07043	75.0
167.08513	7.0
168.05983	1.1
168.07373	3.5
169.06549	3.4
169.10040	1.6
171.08038	2.4
173.05971	1.7
174.06770	15.5
175.07578	8.8
177.05595	1.2
177.06998	2.7
177.09068	12.1
178.07745	3.3
179.07082	4.2
179.08594	5.6
179.10658	2.0
180.05663	1.0
180.07828	1.1
180.09303	1.8
181.06584	6.5
181.08589	100.0
182.07320	8.9
182.08951	2.8
183.08029	3.1
184.08823	1.2
187.07593	2.6
189.09097	88.6
190.07782	2.8
190.09512	3.3
191.07008	2.5
191.08592	5.2
191.10709	3.2
193.06514	6.1
193.08493	2.3
194.07268	5.9
195.08063	13.7
195.09871	1.2
196.05289	1.2
196.08823	2.4
197.06033	4.6
197.09628	8.5
198.06717	1.7
199.07559	5.5
201.08887	1.3
202.07700	1.3
203.10721	2.8
205.06564	2.5
205.10197	2.1
207.08096	5.8
207.10188	18.5
208.05249	2.1
208.08876	5.0
208.10565	1.2
209.05998	3.7
209.09613	1.9
210.06731	6.9
211.07501	6.3
212.08310	4.4
213.09071	2.4
218.07355	2.4
219.08066	6.9
219.10066	1.9
220.08688	1.7
221.05968	5.5
221.09666	2.2
222.06750	5.8
222.10202	1.2
223.07542	9.2
223.11119	5.8
224.08206	2.9
225.05511	3.6
225.09099	18.1
226.06213	1.8
226.09671	2.2
227.06940	8.9
227.10541	1.4
229.12337	2.2
233.05959	1.1
233.09575	1.3
235.07486	5.2
236.04578	1.8
236.08270	4.6
237.05475	2.1
237.09068	5.7
238.06290	2.7
239.07007	5.4
239.10646	3.9
240.07811	5.1
241.08632	5.0
242.09387	3.5
247.07520	4.2
250.06310	1.1
250.10001	2.0
251.07074	5.6
251.10674	6.9
252.07977	1.1
253.05003	1.3
253.05927	1.6
253.08600	16.8
254.09329	3.2
255.06613	5.3
255.10170	6.4
256.10922	1.9
257.08151	2.8
257.11725	17.8
259.09659	2.3
264.07813	1.9
265.08572	4.7
267.06558	1.8
267.10233	4.1
268.07220	4.0
268.10922	1.6
269.08078	3.1
269.11710	1.1
270.08768	5.9
271.09586	2.0
271.13315	3.3
279.10159	7.1
281.08060	2.5
283.09692	17.3
283.13303	11.4
284.10181	1.3
285.07861	3.3
285.11160	33.7
286.11618	3.6
296.10519	2.0
297.11423	4.9
299.09232	2.8
299.12784	5.2
300.09958	2.7
301.14398	1.8
302.11493	5.0
311.12650	7.7
314.11612	1.6
315.12253	19.3
316.12848	1.6
317.13803	19.5
328.13013	1.6
329.13837	4.0
331.15359	2.9
343.15289	9.2
360.73792	2.2
361.16458	11.8
361.23160	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79247	1.4
53.03942	3.6
55.01860	2.6
65.03925	2.8
66.04217	1.2
67.05500	1.5
69.03429	1.7
69.20549	9.6
70.07461	1.2
77.03928	2.3
78.04687	2.4
79.05492	18.4
81.03415	2.4
81.07034	3.8
82.49549	1.1
83.04983	1.4
91.05480	30.8
93.03422	1.9
93.07041	13.0
93.56305	1.2
95.04981	10.5
97.06481	1.8
103.05453	16.7
105.03403	1.7
105.04529	1.8
105.07021	14.2
106.04158	1.2
107.00605	1.3
107.04953	38.0
107.08601	4.0
108.05310	1.9
109.02841	1.3
109.06512	3.1
109.10161	1.5
110.03656	2.1
111.04437	2.1
115.05449	4.3
117.07013	9.2
119.04910	8.0
119.08585	3.7
120.05724	4.8
121.06493	22.1
121.10107	3.2
122.03665	3.2
123.04460	9.7
123.08064	2.3
124.05218	5.8
125.05984	5.2
128.06204	10.9
129.07001	30.4
130.07343	1.8
131.04932	15.5
131.08565	17.8
133.02817	4.4
133.06496	7.5
135.04414	4.6
135.08060	9.7
136.05188	2.2
136.07526	1.6
137.05984	27.8
138.03098	2.6
141.05528	1.8
141.06978	3.1
143.04893	2.0
143.08611	4.0
145.06464	7.3
146.03662	2.0
146.07251	3.1
147.04431	7.5
147.08072	3.3
148.05176	5.6
149.06000	8.7
149.09650	1.7
150.06744	1.5
151.03896	11.5
151.07541	22.1
152.04654	4.9
152.06221	1.9
153.05484	17.4
153.06815	2.6
155.07053	1.8
155.08521	1.9
156.05692	1.8
157.06483	20.1
158.07179	2.4
159.04504	1.8
159.08031	5.3
160.05235	2.6
161.05975	47.1
161.09621	13.0
162.06473	2.8
163.07547	23.6
165.05479	4.0
165.07007	11.7
165.09113	10.1
166.06279	12.7
166.07681	3.0
167.07060	75.3
167.08517	9.0
168.07423	3.6
169.06502	4.4
169.10107	1.9
171.08032	3.2
173.06013	1.7
174.06746	11.4
175.07582	8.6
177.05534	2.1
177.06985	3.5
177.09140	13.5
178.07837	3.8
178.09358	1.2
179.07008	4.6
179.08540	6.4
180.09203	1.7
181.06653	4.8
181.08591	100.0
182.07260	7.1
182.08905	4.2
183.08009	2.5
187.07474	2.9
189.07368	3.8
189.09103	78.3
190.07808	3.9
190.09457	2.9
191.07007	3.0
191.08551	5.5
191.10495	2.6
193.06456	4.4
193.08527	2.3
193.10178	3.0
194.07310	6.5
195.08098	15.0
195.10072	3.0
196.08670	1.8
197.05991	5.1
197.09587	11.5
199.07524	4.3
203.10686	2.2
205.10086	2.1
207.08090	5.4
207.10150	16.5
208.05191	2.2
208.08827	4.9
209.05922	2.8
209.09602	3.8
210.06718	8.3
211.07547	7.0
212.08286	3.2
215.08688	1.5
218.07332	2.5
219.08069	7.7
219.10147	2.5
221.05983	5.5
221.09705	2.1
222.06647	4.8
223.07524	12.1
223.11194	5.9
224.08240	2.3
224.11664	1.9
225.05502	3.7
225.09084	19.0
226.06186	1.4
226.09711	3.2
227.07085	8.6
229.12230	2.1
235.07573	3.6
236.04724	1.8
236.08316	5.0
237.05183	2.0
237.09056	5.8
238.06230	2.4
239.07016	8.0
239.10616	4.2
240.07837	5.4
240.11235	1.6
241.08475	4.3
242.09407	3.6
243.10152	1.5
247.07559	3.8
248.08444	1.4
249.05377	1.6
249.09074	2.3
250.06346	1.5
251.06938	7.8
251.10649	8.5
252.07607	2.9
253.05392	1.2
253.05901	1.6
253.08594	15.7
254.09335	3.1
255.06564	5.5
255.10191	7.4
257.08286	1.5
257.09155	1.8
257.11719	14.3
264.07703	1.8
265.08594	6.5
267.06650	2.2
267.10144	3.6
268.07361	2.8
268.10904	2.4
269.08109	3.9
270.08810	4.5
271.13211	2.1
279.10156	6.4
280.86652	1.4
281.08099	2.9
283.09650	17.4
283.13266	12.4
284.10281	2.5
285.07703	3.7
285.11169	31.9
286.11484	2.7
296.10461	3.3
297.11267	7.3
299.09048	3.0
299.12900	3.7
301.14102	1.8
302.11392	4.6
311.12753	11.4
312.13370	2.0
314.11420	2.0
315.12189	20.9
317.13858	18.8
329.13776	4.6
331.15295	3.4
343.15399	11.0
361.09021	2.4
361.16333	19.9
362.16565	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1644
Annotation	Antheridic acid
Peak:m/z	Relative Intensity
53.03924	0.7
53.63212	0.6
55.01858	1.0
55.05504	1.2
55.28924	0.6
67.05502	2.2
69.03420	0.8
69.07072	5.6
73.80157	0.6
75.74265	0.6
79.05480	1.9
81.07042	1.5
83.04980	1.2
83.08610	0.7
85.02908	4.1
91.05481	2.3
93.07040	2.4
94.07362	0.6
95.04974	1.1
95.08612	2.3
97.06508	1.5
98.22549	1.3
103.05434	0.9
105.07030	2.2
107.04953	1.8
107.08601	1.2
109.02899	0.9
109.06481	0.7
109.10138	1.1
110.03664	4.5
111.08019	0.7
118.96434	0.6
119.08572	1.9
121.06534	1.4
121.10145	0.7
123.04383	1.1
125.05996	21.1
128.06242	1.3
129.07016	2.5
131.08582	1.8
133.06535	0.7
133.10135	1.5
135.04478	1.1
135.08049	1.4
137.05937	0.8
137.09641	1.0
138.03114	7.5
139.03885	0.8
141.05458	0.8
141.06964	1.1
143.08551	3.8
145.06500	0.9
145.10150	1.2
147.04454	0.9
147.08061	1.2
153.05466	100.0
154.05963	2.9
155.08508	1.5
155.56686	0.6
157.06471	3.0
157.10057	1.1
158.07175	0.7
161.06049	0.9
161.09639	1.5
165.06998	0.8
166.07733	1.1
167.04918	1.1
167.07040	2.9
167.08470	1.3
169.06436	1.0
169.10114	1.5
171.08052	2.3
171.11734	1.2
173.05920	1.4
173.13287	0.9
175.07579	2.6
179.08534	0.8
180.09309	1.0
181.06459	1.2
181.08549	1.7
181.10101	1.7
183.04379	0.8
183.08008	1.2
183.11644	0.8
185.05960	3.0
185.09549	0.8
185.13303	0.7
187.07533	0.7
189.05557	0.7
189.09116	2.9
191.08575	0.8
194.10797	0.8
195.04341	1.2
195.08029	0.8
196.08788	1.0
197.06015	0.9
197.09625	2.1
199.03851	1.8
199.07549	2.3
199.11142	0.8
200.04543	0.7
203.07036	5.5
204.07790	0.8
207.10161	10.3
207.11948	1.1
208.08807	1.3
208.32359	0.7
209.09808	1.2
209.11650	1.4
211.07527	3.3
212.04665	1.2
212.08362	1.0
213.05504	5.7
213.09097	1.5
213.12642	2.0
214.06042	0.7
214.09755	0.9
215.07042	1.1
215.10606	1.6
216.04115	0.8
217.08632	1.7
219.11681	0.9
221.09718	0.7
221.11674	10.2
221.13446	0.8
223.07547	0.8
223.11241	1.5
225.09103	3.1
226.09868	1.5
227.03345	1.1
227.07088	4.4
227.10672	2.6
228.04138	0.9
228.07767	0.9
229.05025	2.0
230.05727	1.8
231.06624	3.1
234.13760	0.9
235.07556	1.0
236.08394	0.8
237.05452	1.1
237.12810	1.0
239.10603	0.8
241.04965	5.6
241.08630	1.7
241.12253	6.7
242.05595	1.2
243.06520	2.4
243.10158	6.8
244.03685	2.0
244.07222	1.4
244.10663	0.9
245.07944	1.4
250.09926	1.1
251.10730	2.3
254.09409	0.7
255.06526	2.8
257.11725	2.8
259.05997	8.7
259.13220	4.4
260.06702	1.6
261.07510	1.2
265.12213	2.9
268.10922	1.5
269.08066	1.2
269.11560	1.2
273.07513	2.1
273.14792	2.7
281.08124	1.3
283.13284	14.6
284.13632	1.0
287.09348	0.8
287.12564	3.1
296.10431	1.4
300.13489	1.2
301.14310	4.1
311.12784	18.9
312.12943	1.6
315.15897	2.4
329.13824	64.6
330.14133	4.2
343.15308	1.6
346.18536	0.8
361.16440	48.3
361.21432	4.2
361.23816	3.3
362.16745	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2008
Annotation	Oleiferin H
Peak:m/z	Relative Intensity
53.03955	0.7
53.60327	0.8
55.05501	2.0
55.70167	0.6
57.07058	0.7
59.04988	2.6
65.03937	1.1
67.05508	4.5
69.07076	5.8
69.44085	2.4
69.44482	1.2
71.04996	4.3
72.08186	0.7
75.04488	0.8
79.05496	3.2
81.07047	2.5
83.04985	1.1
85.06532	2.3
87.00824	0.7
91.05489	4.4
92.71050	0.7
93.07047	4.2
95.04971	4.3
95.08620	6.9
97.06557	4.1
98.23355	0.9
99.04413	0.9
99.08105	0.6
105.07036	3.2
107.04961	1.5
107.08565	3.3
109.06513	3.1
111.08058	2.8
115.05408	1.0
117.07000	1.9
119.08582	5.5
121.06509	2.9
121.10104	1.4
123.04307	0.8
123.08053	1.3
125.06004	2.6
125.09663	4.2
129.06992	1.9
131.04910	1.0
131.08562	1.9
133.06522	1.3
135.08084	1.1
136.05173	0.9
137.05984	2.2
137.09602	1.0
139.07553	1.7
139.11200	0.9
143.08467	0.9
145.06534	1.1
145.10092	1.4
146.07256	1.2
147.08023	1.3
151.07530	11.0
151.11179	2.0
157.06540	1.1
158.07280	1.8
159.08061	2.2
161.05968	1.4
163.11185	1.2
165.06990	1.3
165.09137	5.9
167.07062	5.3
167.08430	1.0
169.06441	1.6
170.07214	0.8
171.08063	1.2
173.05981	0.8
173.09622	1.6
174.06770	2.7
174.10390	2.9
175.07584	2.0
175.11087	1.3
177.09117	2.6
179.08669	0.8
181.06479	1.3
182.07256	1.9
183.04442	0.8
183.08049	1.2
184.05179	0.8
184.08855	1.4
185.06000	1.6
185.09589	1.0
186.06827	0.9
187.07616	1.6
188.08347	2.5
189.05476	0.7
189.09097	11.8
190.09811	2.0
191.07037	7.1
191.10658	1.5
193.10246	0.7
195.08037	3.0
196.08887	2.0
197.05994	2.6
197.09619	1.4
198.06702	6.1
199.07489	3.1
200.08304	1.4
201.05475	1.2
201.09071	7.4
202.09822	3.6
203.07014	1.1
203.10602	3.4
204.07780	2.0
204.11279	1.0
205.08623	3.9
205.12268	11.6
207.11702	0.7
209.06100	0.9
209.09584	2.4
210.10196	1.3
211.07565	6.6
211.11124	1.6
212.08182	2.7
213.05571	3.3
213.09100	11.5
214.09824	3.3
215.07036	3.1
215.10635	6.3
217.08626	4.1
217.12222	2.8
218.09293	1.3
219.10153	1.9
219.13771	7.4
221.09770	0.8
221.11569	1.0
223.07532	1.5
223.11159	2.6
223.14775	1.0
224.08205	1.9
224.11839	1.3
225.05806	0.7
225.09096	3.0
226.06244	2.9
226.09831	2.2
227.07083	3.9
227.10635	5.2
228.07813	11.6
228.11493	2.2
229.05043	1.1
229.08592	4.7
229.12270	2.1
230.09311	2.1
231.10069	3.7
231.13708	4.0
235.11183	1.6
236.08257	0.9
236.11983	1.2
237.09090	1.6
237.12709	3.5
238.09839	1.6
238.13341	0.9
239.07027	1.5
239.10716	3.3
240.07770	1.9
240.11412	2.2
241.08618	15.4
241.12234	3.7
242.09349	7.9
242.13042	1.2
243.06549	0.9
243.10138	3.8
243.13838	1.3
244.07349	2.2
244.10799	0.9
245.11729	10.7
251.10689	1.3
251.14342	1.6
252.11586	1.0
252.15067	1.5
253.08604	1.7
253.12291	1.7
254.09471	1.8
254.12956	2.8
255.10152	7.0
255.13916	1.8
256.10751	1.2
257.15466	1.8
258.08945	1.4
259.09686	4.8
259.13297	2.8
262.13599	1.1
264.11487	1.0
265.12250	2.7
267.10202	2.1
267.13916	1.3
268.10974	1.4
269.11771	3.3
269.15305	4.9
270.12555	1.3
271.13309	1.7
273.11240	13.2
273.14835	14.9
274.11600	1.4
274.15268	1.2
275.12903	1.1
278.13022	1.4
279.13718	1.9
280.14594	3.0
281.11926	1.6
281.15338	2.5
282.12302	1.3
283.13577	1.5
283.16797	7.7
284.17343	0.9
285.14893	1.8
285.18472	1.1
287.12805	0.8
293.15344	3.8
295.13049	1.0
296.13995	2.4
310.15665	1.4
311.16391	14.0
312.16989	3.7
312.50201	0.8
315.19620	5.0
325.18179	3.5
343.19040	100.0
344.19357	9.5
361.20242	9.2
361.25140	2.2
362.20752	0.8
362.32779	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57769	4.6
53.03945	31.1
55.05503	8.2
63.60712	4.3
67.05495	15.0
69.86007	9.9
69.86407	15.8
73.97705	4.9
74.29509	3.9
79.05495	29.6
81.03062	4.3
81.03436	51.4
81.07055	40.5
83.04994	10.9
85.02901	26.7
85.06497	4.2
91.05479	37.6
93.07040	32.1
95.04967	14.6
95.08603	14.5
97.22868	4.0
99.04459	16.6
103.00118	4.7
105.07030	38.3
107.08599	26.8
109.02866	27.7
109.06510	55.6
109.10160	10.3
117.07020	17.1
119.08592	32.3
121.06525	9.5
121.10146	11.6
123.08062	5.8
127.03919	12.8
128.06209	14.3
129.06996	17.7
130.07837	5.8
131.08562	25.9
133.10075	25.2
135.08052	12.4
135.11694	14.6
138.14250	4.7
139.07532	4.5
141.06944	7.2
142.07832	11.2
143.08548	44.3
145.06468	14.5
145.10123	46.6
147.08040	11.2
147.11676	10.1
149.06027	4.8
151.07494	8.6
153.05450	4.8
153.06946	6.6
154.07834	7.7
155.08551	19.4
156.09346	13.2
157.06465	4.5
157.10124	41.4
158.10912	6.0
159.08032	56.7
159.11694	19.7
161.09587	22.8
161.13193	5.1
163.07611	6.8
165.06958	6.1
166.07764	5.5
167.08636	10.9
168.09348	12.3
169.10135	38.3
170.10779	7.2
171.08125	10.8
171.11682	52.8
172.12190	5.4
173.09576	9.0
173.13254	16.7
175.07567	6.9
175.11197	7.8
179.08589	11.2
180.09314	5.5
181.10107	24.0
182.10872	14.0
183.08018	6.1
183.11594	25.8
184.12366	4.7
185.09616	18.0
185.13318	10.5
187.11180	86.7
187.14732	4.8
188.11575	5.9
189.12762	6.6
191.08588	7.1
192.09361	8.9
193.10046	12.9
194.10876	8.0
195.11720	13.3
197.09557	11.0
197.13255	38.9
199.11186	25.4
199.14896	12.8
203.10625	9.4
205.10139	11.0
205.12257	7.3
206.10797	5.5
207.11674	14.4
209.13217	23.0
211.14694	7.1
213.12798	18.7
214.13522	6.1
217.12206	22.4
219.11813	6.8
220.12447	6.2
221.13219	10.9
223.11012	7.2
225.12753	26.8
227.14293	29.4
228.15144	23.1
233.13179	7.0
235.14842	17.7
235.21123	5.0
236.15390	5.1
241.12299	5.8
243.13828	48.7
253.15884	12.0
261.12476	5.0
279.17319	28.3
281.15308	13.7
288.90100	5.0
289.11731	4.7
289.15805	10.6
297.18463	20.6
307.16861	39.0
308.17313	5.6
325.17978	100.0
326.18320	12.8
343.19012	52.7
361.17950	14.2
361.21851	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.201
Annotation	Oleiferin G
Peak:m/z	Relative Intensity
53.03944	0.7
55.01859	0.9
55.05504	0.7
63.21679	0.4
65.03917	0.5
66.35882	0.4
67.05532	0.3
69.07075	0.5
69.20354	2.8
79.05498	3.0
81.07053	2.0
88.07625	0.6
91.05486	3.9
93.07050	1.6
94.04176	2.3
95.04980	1.3
103.05493	1.1
105.07024	8.2
107.04959	11.9
109.06521	1.9
111.92630	0.3
115.05462	0.7
117.07037	2.0
119.04937	1.1
119.08585	1.8
121.06515	3.1
122.03658	7.9
123.04420	1.4
124.05238	1.1
125.05969	0.6
129.06993	1.1
130.07771	1.2
131.04929	1.6
131.08588	0.7
131.13762	0.4
133.06494	19.1
133.10107	0.7
134.06827	1.0
135.08023	0.9
136.05173	0.5
137.05978	100.0
138.06308	3.8
140.04669	1.4
142.07799	0.9
143.06093	0.6
145.06464	2.2
145.10123	6.7
146.07239	0.8
146.10471	0.4
147.08034	1.8
147.11678	3.6
149.06046	0.8
151.07561	3.6
152.04689	0.6
153.05504	0.9
155.07021	0.9
157.10176	1.9
158.07277	1.4
160.08823	0.8
163.07523	1.1
165.09103	1.1
167.07040	18.6
168.07449	1.9
169.08148	0.5
173.09627	8.4
174.09854	0.4
175.11191	30.4
176.08246	0.7
176.11533	1.5
177.12735	1.3
181.08488	0.5
190.09454	0.3
191.10657	0.8
195.10146	0.4
205.12247	19.3
206.12608	1.3
207.13812	15.8
208.14235	0.6
237.14862	4.1
269.15182	0.9
297.14755	1.5
301.09616	0.4
313.78067	0.4
361.11850	1.0
361.19998	4.1
362.32562	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90327	1.1
52.30595	1.4
53.03948	2.5
55.01872	2.9
57.03451	2.6
57.11556	1.2
61.02927	6.0
67.05516	1.2
69.03437	11.8
70.80067	1.2
71.04987	1.4
71.30471	1.9
71.45164	1.5
73.02896	1.2
74.06065	1.2
79.05511	3.4
81.03387	6.0
85.02908	47.5
91.03947	1.8
93.07045	1.5
95.04948	1.5
97.02897	13.3
99.04482	1.9
105.07033	7.3
106.18661	1.2
107.04964	3.0
107.08530	1.4
109.02908	4.1
119.08642	1.7
123.04434	100.0
124.04787	4.2
127.03924	8.2
133.06496	17.3
137.05981	42.5
145.04948	13.9
151.03947	3.9
165.05481	68.3
165.09128	16.8
166.05849	2.3
180.08711	5.3
183.06583	10.7
183.10150	15.3
189.76453	1.2
200.09264	1.9
328.00858	1.5
362.01837	1.5
362.14578	2.1
362.18777	2.8
363.14804	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62723	1.3
60.57113	1.2
61.02925	1.4
69.02705	13.5
69.03429	1.9
70.06575	1.7
85.02897	8.8
91.05488	3.8
93.07064	2.1
95.04962	14.7
97.02839	1.6
98.97607	2.2
109.06535	1.6
119.04970	2.3
121.06517	3.1
123.04425	100.0
124.04762	3.6
133.06506	1.5
135.04434	1.9
136.07585	1.6
137.05997	5.1
145.04953	2.2
147.04442	5.1
148.04776	5.1
154.08563	1.6
161.02995	1.6
165.05470	54.9
166.05878	1.9
170.03059	1.6
173.64130	1.4
182.08127	15.5
183.06485	1.5
200.09189	5.7
215.05247	2.7
216.05646	3.0
248.37726	1.2
362.09644	4.7
362.10742	4.4
362.15259	2.3
363.10587	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.3
55.01868	4.3
57.03428	6.0
61.02920	7.0
67.05503	2.7
69.03429	14.1
69.66466	6.2
71.05011	2.8
73.02917	3.6
79.05492	5.5
80.05014	1.7
81.03412	6.8
81.07037	1.8
85.02908	57.6
87.04470	2.5
91.03947	2.2
91.05471	4.4
93.07038	3.2
95.04941	2.7
95.08608	2.6
97.02916	15.1
97.06553	1.8
98.23299	2.3
98.97574	2.0
99.04465	3.8
105.07043	12.0
107.08612	2.9
109.02879	5.1
109.10140	2.8
119.08589	4.0
122.03661	1.9
123.04433	100.0
123.08031	2.7
124.04758	3.3
127.03905	9.5
133.06496	25.0
137.05975	70.6
137.09622	4.0
138.06345	3.4
145.04965	14.9
165.05486	75.6
165.09114	29.2
166.05820	3.8
180.08655	6.1
183.06642	11.0
183.10216	29.7
195.10316	1.9
207.08037	4.0
235.07527	3.9
253.08661	3.2
316.11719	8.3
353.45251	1.9
362.18787	3.7
363.15765	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03520	3.5
57.03460	4.0
57.77961	3.1
61.02911	6.4
69.03418	8.6
69.33167	18.7
69.33572	8.1
72.49390	3.9
83.38981	3.6
85.02907	39.7
96.77917	3.5
97.02891	11.6
105.07050	19.1
109.02877	5.8
109.10152	4.3
121.51730	3.5
123.04447	18.6
125.10582	3.5
127.03922	8.7
133.06493	47.2
137.05972	100.0
140.73358	4.1
145.05028	6.8
164.07909	5.6
165.05460	11.1
165.09106	41.1
183.10162	27.9
382.60550	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01867	2.9
55.03072	2.0
57.03426	3.9
59.84187	2.1
61.02923	5.6
69.03437	9.5
69.41418	4.4
69.41827	8.1
71.04971	2.2
79.05509	1.8
81.03413	6.0
85.02907	45.3
91.03956	2.6
94.75392	1.7
97.02895	13.0
99.04536	2.5
105.07030	11.6
105.65319	1.8
109.02899	4.9
123.04427	100.0
124.04730	3.2
127.03902	11.0
133.06506	17.7
137.05980	56.3
138.06396	2.2
145.04970	15.2
156.74928	2.0
163.57820	1.9
165.05473	67.5
165.09151	13.7
166.05832	2.6
180.08730	6.2
183.06555	11.7
183.10159	14.1
210.10345	2.2
278.06113	1.9
310.33923	2.1
337.19705	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80309	1.1
53.03958	1.3
55.05517	1.6
57.03436	2.4
61.02926	2.9
67.05508	4.6
69.03432	6.4
70.31574	3.8
76.60752	1.3
79.05499	2.1
81.03403	1.7
81.07047	4.4
85.02904	25.0
91.05505	2.0
93.07027	2.2
95.04910	2.0
95.08641	3.2
97.02908	6.6
99.04437	2.1
105.06382	1.8
105.07037	19.8
109.02872	2.8
109.06499	1.7
109.10145	8.7
119.08595	1.7
122.03672	2.1
127.03925	4.6
133.06491	41.3
134.06813	2.1
137.05975	100.0
137.09543	6.2
138.06322	3.8
145.04945	4.0
155.10675	3.5
165.09113	43.8
166.49611	1.3
180.08656	1.7
183.10176	47.7
192.07625	1.9
195.32298	1.2
198.55135	1.4
201.11310	2.5
203.45293	1.3
225.49544	1.4
362.12131	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.9
68.60960	1.5
79.05520	2.1
91.05504	3.6
98.23387	3.7
103.05457	8.0
105.07047	2.0
107.04965	2.4
117.07051	2.8
119.04985	2.4
121.06539	2.5
122.03664	2.5
123.04449	6.1
131.04921	17.1
135.08054	2.3
137.05972	38.2
137.37717	1.9
138.06299	2.8
147.04454	2.3
151.07550	13.2
151.54089	1.8
162.06732	3.2
163.03889	2.5
163.07530	44.7
164.07921	3.4
175.07565	3.9
177.09113	100.0
178.09480	4.5
195.10190	5.9
203.10802	2.0
221.11707	14.2
228.78682	1.9
361.54651	1.8
378.54599	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
66.24462	1.5
68.54115	1.6
71.11171	1.4
71.31570	2.8
76.09883	1.5
76.20026	1.5
91.05499	2.1
103.05466	7.4
107.04935	1.9
115.05480	1.7
117.07025	3.0
119.05009	2.9
119.52361	1.4
121.06494	3.7
123.04427	7.5
131.04922	16.7
137.05980	38.4
138.06342	1.8
145.06529	1.7
147.04393	2.1
151.07552	10.9
163.03987	2.2
163.07539	48.6
163.08905	2.4
164.07942	3.0
167.07094	3.4
175.07542	2.8
177.09106	100.0
178.09518	4.0
178.15898	1.6
191.37866	1.5
195.10138	8.3
221.11722	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
66.24462	1.5
68.54115	1.6
71.11171	1.4
71.31570	2.8
76.09883	1.5
76.20026	1.5
91.05499	2.1
103.05466	7.4
107.04935	1.9
115.05480	1.7
117.07025	3.0
119.05009	2.9
119.52361	1.4
121.06494	3.7
123.04427	7.5
131.04922	16.7
137.05980	38.4
138.06342	1.8
145.06529	1.7
147.04393	2.1
151.07552	10.9
163.03987	2.2
163.07539	48.6
163.08905	2.4
164.07942	3.0
167.07094	3.4
175.07542	2.8
177.09106	100.0
178.09518	4.0
178.15898	1.6
191.37866	1.5
195.10138	8.3
221.11722	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03788	1.2
58.63988	1.2
59.18360	1.2
70.62177	1.2
70.62518	3.1
83.38482	1.4
91.05502	1.3
91.17324	1.2
103.05477	8.0
108.16768	1.4
111.04470	1.4
115.05496	1.9
117.07010	2.8
121.06534	1.7
122.03616	1.8
123.08062	1.3
131.04932	14.7
131.05815	1.7
137.05980	42.5
138.06372	1.3
143.08691	1.3
151.07539	10.8
162.06752	2.5
163.07538	43.9
164.07886	2.2
171.08009	1.3
175.07561	2.4
177.09113	100.0
178.09497	6.0
195.10199	5.3
216.47281	1.3
221.11748	14.5
299.12912	1.4
363.12378	1.6
385.01624	1.2
389.00903	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02467	1.6
55.05515	4.9
57.07079	9.8
57.61763	1.8
58.06600	2.5
67.05505	14.7
67.78616	1.5
69.02733	12.6
69.03398	1.5
70.06597	25.0
71.05001	20.4
71.08645	5.7
72.08158	2.1
77.61354	1.5
79.05502	3.8
81.07059	13.4
83.08654	3.3
88.07633	32.6
90.87268	1.5
91.05514	3.1
93.07067	3.1
95.08637	2.5
97.10152	3.5
102.09193	16.4
105.06995	1.8
109.10175	7.8
114.09185	3.9
123.11727	4.6
132.10208	11.1
145.10155	1.5
155.10661	2.6
155.14336	12.4
161.13261	1.7
165.09294	1.7
173.11755	15.5
176.12843	1.8
185.00565	1.6
189.11215	4.3
194.13889	2.0
256.26364	55.3
257.26828	3.0
277.21704	4.4
314.48590	1.6
318.30096	2.6
344.31894	3.8
362.32712	100.0
363.21558	3.2
363.33032	10.1
368.31686	1.7
389.41815	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	7.2
59.90458	1.4
63.50826	1.1
70.04580	1.7
71.29919	1.4
85.02953	1.7
97.02905	1.5
98.97588	100.0
101.00898	12.8
110.97582	2.2
113.00918	1.9
116.98634	46.3
119.01928	46.7
120.01997	2.0
120.34808	1.3
127.85545	1.3
128.98677	1.4
131.01901	6.8
132.41722	1.3
133.03543	2.3
134.99637	10.1
137.02974	17.0
139.03952	2.3
140.00261	1.5
142.85060	1.4
143.01942	6.3
145.03488	6.2
147.04399	2.3
147.56042	1.3
155.01929	8.6
157.03525	3.3
158.06648	2.6
158.99661	52.2
161.02965	15.0
162.03191	1.4
163.03926	1.9
166.04893	1.5
173.02968	7.5
175.04576	4.9
177.00725	57.1
177.04253	2.7
185.03014	6.1
189.00847	1.7
195.01852	4.2
197.02997	5.5
200.02425	2.1
201.04407	2.6
201.06198	6.4
201.10307	2.9
203.04045	6.5
215.04111	1.9
219.01778	36.5
219.07187	11.2
220.02237	1.7
221.05151	5.8
237.02835	5.2
240.05646	2.6
243.01779	1.4
243.05437	4.5
244.05186	3.1
245.05070	35.3
246.06850	3.9
252.05634	2.1
258.06802	2.8
259.06662	13.0
259.09042	1.7
263.06113	14.0
270.06769	3.0
277.07788	4.2
283.09891	1.5
295.09909	1.9
303.07269	7.6
307.10278	1.8
321.08411	9.9
325.11011	4.4
327.12646	1.7
337.10928	3.0
339.12479	11.4
340.12869	1.6
351.12534	32.0
352.12714	4.7
363.12585	72.4
363.16101	7.2
364.12796	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82657	1.0
53.03959	0.8
57.03443	1.0
60.57098	1.1
61.02930	2.2
64.72195	0.9
65.03942	1.5
67.05502	12.0
69.03423	2.9
69.65356	1.6
69.65693	4.1
81.03413	1.9
81.07037	1.2
85.02908	13.9
85.56574	0.9
86.03217	1.3
91.05465	1.2
93.07017	1.2
95.04969	7.9
95.08586	1.3
96.08415	0.9
97.02903	3.9
98.23278	1.7
102.95751	1.0
109.02872	1.0
119.08575	1.1
121.06558	1.3
127.03866	1.2
137.05946	2.8
138.05499	72.0
139.05847	2.4
145.04919	2.3
166.05005	100.0
167.05363	1.9
167.10652	1.1
180.08699	3.8
180.93623	1.1
182.95555	0.9
183.10167	1.3
184.06062	37.3
184.07738	1.8
185.11725	1.4
201.01601	6.6
241.72871	0.9
252.93811	0.9
274.83621	1.0
308.46924	1.0
327.82578	1.0
328.08118	1.0
358.78583	0.9
363.15683	1.7
363.20859	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1648
Annotation	Gibboside
Peak:m/z	Relative Intensity
51.84702	15.4
55.05508	27.0
61.76482	17.6
63.93870	15.4
67.05506	69.2
68.46628	15.3
68.99053	69.0
68.99477	80.5
69.03424	30.2
71.04985	62.7
75.35711	18.3
79.05503	45.5
81.03397	28.0
81.07059	68.0
85.02901	53.8
91.05490	44.2
93.07065	58.6
95.08595	34.5
97.02861	20.6
97.06572	20.2
99.04456	21.4
105.07043	61.9
107.04921	18.3
107.08617	45.8
109.06522	15.4
109.10139	87.8
117.07028	19.0
119.08598	35.0
121.10151	21.1
129.06966	17.1
131.08565	25.0
137.06029	27.5
137.09602	100.0
145.10057	26.9
147.08069	22.8
147.11693	30.2
150.28856	14.1
155.10674	42.9
157.10191	14.9
165.09074	49.4
165.12779	61.9
167.10698	47.3
171.11610	15.0
183.10138	43.6
183.11671	21.0
201.11220	26.5
201.16428	32.7
213.16545	15.7
271.08160	19.8
345.20590	20.1
363.10797	16.9
363.21912	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
54.83979	0.8
55.05509	12.3
57.03421	1.9
59.04995	0.8
65.03950	1.9
67.05505	23.2
69.03416	2.3
69.07064	9.3
72.12155	0.8
75.04509	0.8
75.89703	0.7
79.05488	8.1
81.06570	1.5
81.07053	21.2
83.04983	4.1
83.08610	2.6
85.06528	2.3
91.05474	16.9
91.19138	0.8
93.06461	1.7
93.07040	29.1
95.04970	6.3
95.08606	51.8
96.08939	2.0
97.06523	4.2
97.10156	2.5
99.04438	1.5
102.53070	0.8
103.05441	1.2
105.07027	14.5
107.08591	19.8
108.08902	1.1
109.06522	4.7
109.10157	13.4
111.04446	2.6
111.08084	13.0
113.05992	3.9
115.05441	6.0
115.07079	0.9
116.06294	1.3
117.07021	21.8
119.08582	12.4
121.06478	5.5
121.10127	7.9
123.08077	12.8
123.11715	2.3
125.05978	1.2
125.09636	1.7
128.06209	6.7
129.06133	1.3
129.07016	20.9
130.07494	0.8
131.08572	12.1
133.06470	0.9
133.10112	10.7
135.08080	2.2
135.11687	8.4
137.06021	2.1
137.09604	1.5
137.13251	0.9
139.07503	5.1
141.06979	14.3
141.09087	5.2
142.07776	8.1
143.08572	13.3
145.06509	1.0
145.10095	7.1
146.07280	1.5
147.08052	4.9
147.11711	5.4
149.09526	1.0
152.06209	3.6
153.06967	12.3
154.07782	15.9
155.08557	29.2
156.09253	3.8
157.10129	24.3
157.11421	1.4
158.10481	1.5
159.08020	1.0
159.11673	3.4
160.08931	0.9
161.09619	16.4
161.13246	3.6
163.11192	5.0
165.07005	19.7
165.09148	1.1
166.07764	8.6
167.08563	32.7
167.10663	1.4
168.09328	15.3
169.10129	60.8
170.10745	4.1
171.11688	14.4
173.09674	1.2
173.13373	1.1
175.11203	5.2
177.09129	1.0
178.07745	5.0
179.08551	21.1
179.10634	6.3
180.09325	13.9
181.10117	100.0
182.10727	8.2
183.11688	54.9
183.39510	0.8
184.12137	3.7
185.13245	7.0
187.11169	1.4
189.12723	6.1
191.08530	7.1
192.09311	9.1
193.10136	27.4
193.11996	2.1
194.10883	11.7
195.11687	84.9
196.12152	7.5
197.13242	13.7
199.14851	1.1
201.12750	1.1
203.08504	1.4
204.09373	2.4
205.10164	9.0
206.10895	11.8
207.11708	41.8
207.13724	2.7
208.12408	13.2
209.13245	36.1
210.13652	2.8
211.14890	2.1
217.10158	2.4
218.10895	3.7
219.11690	10.8
219.13702	1.5
220.12447	7.3
221.11060	2.0
221.13235	38.2
222.14000	21.9
223.11276	2.5
223.14806	98.7
224.15216	8.4
225.16330	5.9
231.11707	1.8
232.12451	3.6
233.13213	9.1
234.13892	5.1
235.14798	21.9
236.15541	7.6
237.12750	2.1
237.16396	6.4
245.13271	2.9
246.14008	1.5
247.14801	10.2
248.15454	1.5
249.12784	2.2
249.16365	23.3
249.18790	1.7
250.16777	2.8
251.14308	1.6
251.17963	5.5
253.12268	1.1
255.13867	1.3
259.14755	1.5
261.12766	1.2
261.13736	1.1
261.16437	7.9
262.16977	1.4
263.17957	15.1
264.18701	25.3
265.16064	1.6
265.19305	4.2
267.13803	1.5
271.14871	1.2
272.15646	0.8
273.16299	1.3
275.14340	1.7
275.17929	3.9
287.17712	1.7
288.18652	1.2
289.15802	2.5
289.19504	6.6
290.20120	1.1
291.20816	1.0
293.15338	1.9
295.17007	1.3
303.17462	1.4
303.20963	1.6
307.16873	3.4
317.19135	1.9
317.22568	12.1
318.22971	1.5
321.18579	2.7
327.21066	3.0
345.22098	16.9
363.19797	3.7
363.23169	97.2
364.23599	12.9
381.20703	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.0
53.03945	1.6
53.20800	0.9
55.05506	10.4
57.03432	2.3
57.07057	1.2
60.15919	0.8
60.70221	0.9
62.36773	0.8
62.89837	1.0
63.50918	0.9
65.03941	2.0
67.05172	1.7
67.05502	20.3
69.03429	2.4
69.07065	8.6
69.37356	0.9
71.05008	1.4
79.05491	8.8
81.07056	20.6
83.04971	4.5
83.08627	2.1
85.06554	1.1
91.05471	12.8
93.07047	24.6
95.04958	3.8
95.08604	47.7
97.06525	3.6
97.10146	2.4
98.22572	2.2
99.04456	1.3
105.07028	16.1
107.08588	16.8
109.06501	3.6
109.10159	14.3
111.04456	3.4
111.08070	10.9
113.06014	3.4
115.05469	4.2
116.06217	1.3
117.07011	20.2
119.08579	12.9
121.06499	4.6
121.10136	8.7
123.08054	11.7
123.11714	2.0
125.06001	1.0
125.09584	2.0
127.07664	1.0
128.06204	6.4
129.07004	19.2
130.05429	1.0
130.07765	1.3
131.08546	12.2
131.09363	1.2
133.10109	8.4
135.08089	2.9
135.11674	6.2
137.05997	2.9
137.09644	2.6
139.07541	6.3
141.06972	14.3
141.09085	5.8
142.07782	8.3
143.08566	13.3
145.10132	8.1
146.07289	1.2
147.08061	5.9
147.11708	4.8
152.06207	2.7
153.06987	12.6
153.12787	1.0
154.07755	15.5
155.08542	29.2
156.09296	3.2
157.10136	25.3
159.11702	4.2
160.08810	1.1
161.09634	14.6
161.13306	3.3
163.11183	4.3
165.06995	17.3
165.09111	1.4
166.07788	9.0
167.08566	24.4
168.09357	14.1
169.10121	50.9
170.10741	4.0
171.11682	12.6
173.13249	2.5
174.10403	1.3
175.11139	6.0
177.09181	1.3
178.07758	4.3
179.08560	19.1
179.10629	5.2
180.09322	9.2
181.10109	83.9
182.10788	7.0
183.11685	49.1
183.13365	1.7
184.12096	3.4
185.13219	8.0
187.11143	2.6
189.12747	4.7
191.08583	5.7
191.10233	0.9
192.09306	8.0
193.10124	26.5
193.11946	2.0
194.10886	13.2
195.11684	80.7
196.12186	7.6
197.13242	14.8
201.12648	1.5
202.07863	1.9
204.09381	2.2
205.10176	7.3
205.12054	1.4
206.10901	9.4
207.11699	37.5
207.13615	2.1
208.12410	12.4
209.13237	32.7
210.13690	2.7
211.14804	1.8
217.10167	2.4
218.10858	2.1
219.11678	9.3
220.12411	6.2
221.09891	1.3
221.13245	34.6
222.13982	20.8
223.14804	89.8
224.15192	6.5
225.16409	7.0
231.11703	2.6
232.12428	2.6
233.13246	8.1
234.13994	3.0
235.11182	2.0
235.14787	23.1
236.15529	4.6
237.12672	3.2
237.16331	5.6
245.13184	2.4
246.13937	2.0
247.11136	1.2
247.14824	12.0
248.15536	2.8
249.12714	1.5
249.13489	1.4
249.16373	20.7
250.17000	1.7
251.17902	5.6
257.13165	2.0
259.14795	1.8
260.15649	1.5
261.12686	1.3
261.16373	8.0
262.16934	1.6
263.17905	14.6
264.18738	25.2
265.16406	1.1
265.19272	5.0
267.13730	2.2
273.16473	1.9
275.14218	2.1
275.17975	3.4
279.13693	1.8
285.16492	1.2
287.17874	2.6
288.18576	1.2
289.15906	1.8
289.19476	5.7
290.19806	1.2
291.52902	1.2
293.15332	3.2
303.21121	2.1
307.16800	2.6
317.18936	2.6
317.22516	14.1
318.22772	1.1
321.18658	1.7
327.21136	3.1
345.22086	18.2
346.22397	1.8
349.21771	2.4
363.19736	4.3
363.23163	100.0
363.32889	2.9
364.23621	15.0
381.20731	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2316
Annotation	2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate
Peak:m/z	Relative Intensity
53.03944	1.1
55.05513	7.2
56.86554	0.8
57.02977	0.8
57.03426	1.7
57.07075	5.0
59.04989	2.9
59.61613	0.8
65.03938	1.2
67.05503	15.0
69.03418	1.8
69.07065	5.7
71.04992	1.9
71.08633	4.6
74.73933	0.8
79.05489	6.6
81.07056	16.3
83.04968	5.9
83.08615	2.4
85.06551	1.0
89.06029	5.8
89.76984	0.8
91.05476	12.8
93.07043	20.6
95.04975	4.0
95.08605	39.2
96.08945	1.1
97.02831	0.9
97.06522	2.8
97.10167	1.5
98.22747	4.2
98.23444	1.7
99.04446	1.3
105.07036	11.5
107.08597	12.1
109.06523	3.2
109.10150	11.6
111.04446	3.1
111.08080	8.4
113.06016	2.3
115.05449	3.5
116.06212	1.1
117.07022	14.2
119.08574	11.5
121.06504	3.2
121.10101	5.3
123.08068	10.4
123.11690	3.1
125.09592	1.2
128.06213	5.5
129.07005	13.7
131.08572	10.3
133.08611	1.5
133.10124	8.3
135.08044	1.4
135.11682	4.6
137.05940	1.9
137.09621	1.5
139.07552	4.7
141.06990	11.8
141.09084	5.0
142.07779	13.6
143.08575	10.1
145.06470	1.3
145.10120	6.3
147.08029	5.4
147.11719	3.7
152.06236	2.7
153.07002	9.4
154.07780	12.1
155.08556	22.0
156.09290	3.4
157.10129	32.5
158.10608	1.0
159.11684	4.5
160.08817	1.7
160.14178	0.9
161.09619	10.6
161.13240	3.5
163.11159	3.2
165.06981	13.9
166.07780	8.6
167.07143	1.6
167.08537	18.4
168.09341	10.0
169.10132	50.9
170.10648	4.4
171.11674	11.0
172.11969	1.0
173.09608	1.2
173.13246	1.8
175.11217	4.1
178.07733	4.0
179.08554	16.6
179.10620	4.6
180.09346	11.4
181.10117	64.9
182.10767	5.9
183.11697	35.7
183.13361	1.4
184.12042	2.7
185.13261	8.3
187.11227	1.2
189.12811	4.2
191.08598	3.8
192.09261	6.3
193.10133	22.2
193.11998	1.7
194.10883	11.8
195.11693	59.2
196.12259	5.2
197.13229	8.5
198.13510	1.1
205.10156	6.3
205.12019	1.5
206.10895	8.5
207.11713	28.2
207.13625	1.4
208.12457	13.0
209.13235	27.5
210.13692	2.0
211.14911	2.1
215.14377	0.9
217.10071	1.2
218.10892	1.9
219.11774	7.9
220.12538	5.1
221.13237	26.2
222.13985	12.8
223.14807	83.3
224.15239	7.4
225.16405	8.5
228.85416	1.1
231.11711	2.3
232.12502	3.2
233.13243	8.5
234.14011	3.0
235.14793	18.0
236.15437	3.4
237.16393	5.0
246.14066	1.1
247.14871	5.7
248.15561	1.1
249.12607	1.2
249.16382	19.0
250.16852	1.9
251.17979	4.7
259.14859	1.1
261.12656	1.1
261.16394	4.6
262.17145	1.1
263.17957	12.0
264.18695	18.9
264.21469	1.4
265.19400	3.3
273.16275	1.6
275.14365	1.4
275.17798	1.9
279.13614	1.4
287.17917	1.5
289.16016	1.3
289.19489	3.9
290.19913	1.3
299.17920	1.4
307.16849	1.3
317.19281	1.9
317.22589	8.5
327.21088	2.6
345.22122	12.0
363.23154	100.0
364.23547	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	1.7
69.03418	2.8
70.75690	2.5
78.04716	1.7
79.05487	1.8
81.07034	1.9
85.02914	3.2
85.12167	1.3
90.02489	1.4
91.05502	3.1
93.07032	4.0
95.04981	1.4
97.02875	1.8
97.06532	1.8
99.46832	1.3
107.08601	3.4
108.25111	1.2
116.71674	1.2
121.06490	1.3
121.10159	1.4
123.04420	6.3
124.05211	2.2
127.85038	1.2
137.05923	1.5
145.05023	1.4
149.09589	1.6
162.05461	2.6
166.09520	1.5
167.07036	100.0
167.10724	2.9
168.07390	4.7
185.08180	1.9
185.11655	2.0
202.12346	1.7
203.03159	2.4
213.80119	1.2
221.10072	1.1
272.34094	1.3
281.74884	1.3
294.62888	1.6
313.92764	1.5
333.10815	1.8
365.08282	2.0
365.13297	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98637	1.3
53.03947	2.6
55.01871	1.6
55.05517	2.0
57.03436	4.6
59.04997	5.8
60.04530	5.7
61.02926	3.1
67.05508	3.0
69.03432	13.5
69.07059	7.7
71.05003	2.3
71.30617	1.3
71.76073	1.4
73.02927	2.4
79.05487	11.8
81.03429	3.6
81.07059	11.2
83.04987	3.3
85.02902	49.5
86.67050	1.3
91.03947	1.9
91.05489	6.3
93.03419	1.5
93.07037	21.1
95.04971	2.1
95.08602	12.6
96.68716	1.3
97.02879	10.1
97.06556	7.9
99.04478	1.8
105.07037	8.4
107.04954	20.6
107.08585	11.0
109.02878	3.8
109.06517	12.9
109.10165	2.5
109.76849	1.2
111.04439	8.9
119.08620	2.4
121.06513	5.2
121.10143	42.6
123.08103	2.6
125.05051	1.7
125.05987	32.7
125.09595	1.8
126.56709	1.3
127.03904	9.9
131.08549	8.1
137.05995	1.9
139.11174	100.0
140.11571	5.7
145.04935	9.6
149.09633	31.4
150.09941	1.8
161.09735	1.6
163.06017	2.9
167.10672	74.7
168.11053	4.2
180.08740	1.6
185.11777	5.9
202.05305	1.5
206.42459	1.5
260.09763	1.8
260.29248	1.3
346.25818	3.1
348.13388	1.8
364.05295	1.8
364.14700	2.0
365.15768	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05907	12.5
67.05489	15.4
69.47868	78.4
75.04471	16.1
81.07052	19.2
85.02893	18.4
91.05503	12.5
93.07050	100.0
97.06519	17.1
105.07024	18.1
107.08619	17.1
108.10506	11.2
121.10134	85.1
129.23187	10.5
145.10098	14.8
149.09615	15.1
167.10712	46.4
172.61197	10.1
183.44238	12.5
217.09830	19.1
227.08139	23.3
241.09656	17.3
245.09209	31.2
248.90506	12.2
263.10416	29.8
268.05228	11.1
285.87347	11.9
287.09985	18.8
302.17426	52.2
305.11224	63.3
320.18582	38.0
323.12534	32.1
333.10635	26.4
364.21182	33.0
365.13199	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
64.07126	2.3
67.05495	8.8
68.47063	2.3
69.03427	3.8
69.07066	2.8
69.43411	15.9
71.04997	4.1
79.05490	6.5
80.70242	2.4
81.03391	3.7
81.07050	10.3
83.04972	5.4
85.02908	25.1
91.05457	3.8
93.07043	15.8
95.08614	7.2
97.02878	7.4
98.23377	3.8
99.04450	9.5
107.04949	5.8
107.08575	7.9
109.02888	2.8
111.04445	17.3
121.10148	28.4
125.05978	6.7
127.03888	4.2
131.78838	2.1
145.04956	6.4
149.09598	15.9
161.55597	2.7
163.06038	6.3
167.10680	100.0
168.11041	3.7
185.11752	9.7
302.17426	3.5
366.65668	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.1
56.10354	2.2
67.05509	4.5
69.27628	17.5
69.27962	4.1
79.05495	4.5
81.07047	4.6
85.02921	6.0
91.05474	8.4
93.07042	100.0
94.07372	2.5
98.22641	5.4
105.07058	4.4
107.08601	4.1
111.04457	6.3
121.10145	43.5
127.03951	2.4
137.09630	3.2
145.04953	3.4
149.09608	35.0
167.10680	61.0
168.11099	2.9
177.72058	2.0
183.14789	2.2
302.17477	14.8
320.18628	6.3
346.20380	2.9
364.21176	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.1
55.01873	4.1
69.03438	2.8
69.14850	14.9
75.04505	2.2
79.05490	4.4
80.04952	1.9
81.07056	15.1
83.08606	2.0
85.02914	6.4
91.05484	14.9
91.66872	2.1
93.07043	100.0
94.07381	3.8
95.04987	2.8
96.70970	1.6
97.02934	3.5
107.08595	55.1
108.08926	2.6
109.06532	4.6
111.08080	74.8
111.08855	3.8
112.08432	2.4
121.10147	17.0
123.08064	3.5
137.06009	2.4
137.10156	1.9
139.11165	13.6
149.09607	13.4
152.92094	2.0
167.10677	49.8
177.09157	2.1
185.11717	44.9
261.09119	2.0
306.08771	2.2
321.11255	3.8
358.62946	2.0
365.13773	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	9.8
67.05500	10.0
69.08745	16.5
69.09161	50.4
79.05493	18.8
81.07029	11.6
85.02888	15.5
87.94468	7.4
91.05483	22.0
93.07047	100.0
94.93570	7.6
105.07041	13.6
107.08619	15.3
111.08083	10.2
116.77413	6.4
119.08581	12.3
121.10129	95.9
121.38157	6.4
131.08502	9.1
139.11179	16.5
149.09642	28.2
150.09811	6.6
167.10698	40.6
195.37131	6.9
223.69170	7.0
225.46474	8.3
299.25601	7.0
302.17554	14.2
302.37463	7.4
364.21320	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	7.0
61.02913	2.3
67.05497	5.7
69.03449	5.7
70.51900	5.0
71.05010	3.7
79.05478	4.6
80.93510	2.1
81.03402	3.1
81.07051	4.4
82.21977	2.1
82.63548	2.3
85.02904	21.0
93.07037	8.0
97.02924	5.0
97.06509	5.3
105.06998	3.2
107.04953	3.2
107.08600	19.4
109.06513	77.0
109.07246	4.9
111.04468	4.0
121.06530	5.1
121.10159	15.4
123.08109	10.8
125.09629	53.3
127.03918	4.4
129.25049	2.2
129.32800	2.3
139.11182	10.9
145.04999	5.6
149.05981	5.7
149.09622	15.9
167.07079	2.6
167.10672	100.0
168.11023	3.1
168.47859	2.5
185.04201	3.6
185.11732	71.8
185.13350	4.2
186.12076	4.2
242.42502	2.2
275.17181	2.7
284.89862	2.8
365.10028	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.3
55.05510	1.8
57.03424	1.7
59.04990	4.6
61.01136	3.3
66.59933	1.4
67.05495	3.3
69.03421	4.3
69.07086	1.7
71.04974	1.6
72.04508	2.1
78.03815	1.5
79.05492	8.3
81.03397	1.9
81.07050	4.0
85.02897	23.6
87.00830	1.9
91.05473	5.7
93.07039	13.4
95.04961	1.9
97.02885	5.6
97.06543	1.5
98.23343	3.5
102.03726	1.6
103.02152	3.7
103.05476	2.1
105.07033	16.2
107.08591	40.7
109.02886	2.4
109.06508	4.9
114.03733	1.9
114.05531	4.4
119.06185	1.5
119.08563	3.5
120.04789	5.1
121.06507	1.9
121.10139	100.0
122.10488	3.8
123.08055	2.9
123.11685	2.0
125.09622	21.0
127.03928	2.9
133.07634	3.5
139.11160	4.8
139.56326	1.3
145.04979	6.0
147.01183	1.9
149.07452	4.9
149.09624	21.5
167.10677	79.1
168.11026	3.8
180.08640	2.2
191.08517	5.2
224.14284	1.6
235.07452	8.9
290.00116	1.3
303.13828	2.0
311.14835	1.6
333.10870	1.7
335.12149	1.7
347.12589	2.6
365.07504	1.4
365.12061	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	1.0
69.03450	1.2
71.22530	1.1
71.29049	2.1
85.02890	2.0
89.09356	1.1
105.07020	1.6
120.08060	1.2
123.11734	1.3
127.47653	1.4
135.71591	1.0
145.70262	1.2
146.05896	1.0
147.04420	1.2
158.06035	1.2
185.04213	72.1
186.05667	1.7
200.38889	1.0
203.03149	20.7
203.05087	2.1
204.06595	2.6
223.70811	0.9
341.53076	1.0
347.83609	1.1
365.08386	100.0
366.08820	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13433	0.4
65.33952	0.5
67.05495	0.5
69.03384	0.5
69.23476	1.0
69.23898	2.8
81.07024	1.4
81.79242	0.5
85.02901	0.6
93.07026	0.9
95.04937	0.7
95.08541	0.8
105.07078	0.5
109.10153	0.7
139.11276	0.5
162.88394	0.5
169.12201	0.8
171.00529	2.1
174.34781	0.4
185.04222	5.7
203.03142	100.0
204.03448	3.2
220.28340	0.4
244.61327	0.5
245.09216	0.8
246.69670	0.5
290.05359	0.5
305.11331	1.8
365.08432	22.3
365.13196	1.7
366.08871	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29356	2.9
63.40086	2.6
69.61586	11.2
73.43743	3.0
93.78294	3.3
95.25726	2.9
98.23312	3.5
101.00909	5.1
113.00880	3.4
119.01906	5.6
126.49223	3.5
131.01886	5.6
143.01915	4.3
145.03503	4.8
149.06519	4.4
155.01912	6.6
161.02992	6.4
167.81290	3.3
171.05144	3.3
173.03023	6.8
177.04332	3.3
185.02847	4.8
185.04259	7.9
203.05309	20.5
203.07590	3.8
215.07637	8.3
221.05037	8.0
230.44983	3.0
245.05025	5.9
271.36780	4.2
275.06189	12.9
305.07443	6.5
305.10892	15.4
311.26535	3.0
365.10373	100.0
366.10504	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70480	4.7
69.23283	34.9
74.98056	4.4
81.07040	5.5
83.19773	4.9
95.08598	7.4
98.97636	4.4
110.97616	6.3
167.10735	9.3
168.11043	6.4
179.89719	5.0
185.11784	6.2
219.01849	7.1
237.02779	10.1
311.76529	4.7
365.09863	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1019
Annotation	Retrojusticidin B
Peak:m/z	Relative Intensity
71.32433	0.5
79.05457	0.3
82.32667	0.4
111.56326	0.4
165.06895	1.4
176.06229	0.5
177.06963	0.8
178.07675	1.2
179.08440	0.7
180.05548	0.5
181.06384	0.7
189.06915	1.6
190.07706	1.3
191.08426	1.1
192.09154	0.5
193.06522	1.8
194.07179	1.0
195.07997	0.6
202.07686	0.6
204.05652	0.8
205.06511	2.3
206.07173	2.2
207.07948	1.5
208.05101	0.4
208.08739	1.1
209.05856	0.5
210.06563	0.4
217.06526	0.7
218.07216	2.1
219.08006	2.8
220.05223	0.4
220.08636	1.1
221.05959	4.9
221.09535	1.0
222.06590	1.6
223.07533	2.4
232.05154	0.5
233.06015	2.6
234.06671	3.1
235.07495	5.2
236.04610	1.2
236.08261	3.4
237.05333	0.8
237.09019	0.7
239.07039	0.7
245.05914	0.9
246.06789	2.0
247.07544	4.1
248.04660	0.5
248.08336	2.5
249.05487	9.2
249.09039	2.3
250.06230	4.6
251.06995	5.1
251.10564	0.7
252.07765	0.5
260.04709	1.0
261.05457	4.1
262.06216	3.2
263.07013	9.5
264.04230	1.0
264.07767	7.5
265.05017	1.0
265.08551	6.7
266.06052	0.4
266.08981	0.6
273.05380	0.8
274.06146	2.2
274.46652	0.4
275.07004	6.0
276.04474	0.6
276.07773	4.2
277.04916	9.8
277.08499	3.2
278.02954	0.5
278.05637	2.7
278.08920	0.7
279.03436	0.6
279.06473	9.1
279.10010	2.0
280.03830	0.6
280.07123	1.2
287.06885	0.4
288.04129	0.5
289.05045	4.5
289.08255	0.7
290.05688	4.4
291.03223	0.5
291.06531	9.3
291.09952	0.7
292.03815	1.3
292.07269	27.5
293.04333	1.2
293.07922	5.7
294.05136	1.1
294.08640	1.5
295.09589	0.9
301.04919	1.0
302.05707	1.5
303.06479	5.4
304.03925	0.5
304.07269	7.2
305.04401	4.1
305.08026	7.8
306.05124	3.0
306.08783	2.7
307.05969	12.0
307.09610	26.3
308.06497	1.4
308.09958	1.9
309.11127	0.8
317.04431	5.9
317.07895	0.3
318.05219	15.5
319.05972	18.4
320.03119	5.8
320.06689	3.0
321.03894	0.6
321.07468	4.8
322.08261	3.6
323.09094	9.1
324.09454	0.6
331.05963	1.4
332.06790	5.7
333.07547	34.6
334.08313	52.1
335.05414	21.8
335.09088	24.9
336.05820	1.8
336.09570	2.3
337.07053	0.9
337.10675	6.2
338.11066	0.4
347.08997	0.6
348.09680	0.6
349.07065	2.8
350.07809	29.3
351.08136	2.9
364.09140	0.7
365.10184	100.0
366.10617	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1019
Annotation	Cassigerol B
Peak:m/z	Relative Intensity
66.71211	0.3
71.31510	0.3
75.22678	0.3
153.07100	0.3
153.90616	0.3
165.07022	1.4
166.07756	1.4
176.06180	1.1
177.06981	2.8
178.07732	1.1
179.08542	1.4
181.06477	0.6
189.06973	1.0
190.07767	1.0
191.08525	1.5
193.06418	1.0
194.07310	4.8
195.07869	0.7
202.07806	0.5
204.05685	0.8
205.06479	9.8
206.07123	0.9
207.07996	1.8
208.05304	0.5
208.08800	0.4
209.05991	0.7
209.09619	1.6
212.04623	0.4
217.06367	0.7
218.07280	1.4
219.07990	2.5
220.05136	0.7
221.06000	2.1
221.09424	0.4
221.40109	0.4
222.06744	9.1
223.03889	1.1
223.07423	1.7
225.05515	0.7
231.08083	0.6
232.05165	0.4
233.05959	9.4
233.09520	0.5
234.06638	1.9
235.07535	5.6
236.08154	0.9
237.05426	1.4
237.09125	5.8
239.07021	1.5
245.05844	0.4
246.06807	1.0
247.07552	2.2
248.08270	0.8
249.05501	4.0
249.09111	0.7
250.06244	17.3
251.03380	4.3
251.06940	4.6
251.09630	0.4
251.10616	0.5
252.07790	2.3
253.04871	0.3
253.08670	0.4
257.05829	0.4
260.04816	0.5
261.05475	7.0
261.08478	0.6
261.09021	0.5
262.06226	4.9
263.07047	11.0
264.04599	0.4
264.07721	2.8
265.05069	3.1
265.08588	27.4
266.05661	1.1
266.08945	2.4
267.06433	0.8
267.10141	0.6
273.05707	0.4
274.06143	1.0
275.07010	2.9
276.04993	0.4
276.07681	1.9
277.04935	2.5
277.08395	3.1
278.05746	4.6
278.08875	0.6
279.02954	1.2
279.06500	7.8
279.10031	1.0
280.07291	2.9
281.04205	0.5
281.08020	0.9
287.06998	0.5
289.04861	1.6
289.08578	1.3
290.05750	2.1
291.06525	11.7
291.09833	0.9
292.07239	5.7
293.04526	2.8
293.08035	25.1
294.05176	6.7
294.08661	3.3
295.02582	0.3
295.05878	1.3
295.09610	1.6
296.06613	0.5
303.06586	1.8
304.07239	2.8
305.04504	0.7
305.08026	6.9
306.05139	1.1
306.08759	2.2
307.02460	0.4
307.05978	8.5
307.09647	2.0
308.06763	5.9
309.07446	2.2
309.10767	0.7
315.06439	0.5
317.04504	0.7
317.07922	0.7
319.06006	1.3
319.09625	1.6
320.06622	0.7
320.10413	0.4
321.07593	5.6
321.11023	0.7
322.08310	12.1
322.12094	0.7
323.09125	100.0
324.09598	9.7
331.06052	0.4
332.06735	1.2
333.03925	0.6
333.07596	5.9
334.08453	1.8
335.05423	2.8
335.09131	2.0
336.06091	1.1
336.09760	0.6
337.06958	2.7
337.10742	4.9
338.11145	0.5
347.09085	3.6
349.06860	0.8
349.10739	1.3
350.07761	6.2
351.08560	2.3
365.10175	37.8
366.10825	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.102
Annotation	Cassigerol B
Peak:m/z	Relative Intensity
55.01836	0.5
55.05467	0.4
70.81142	0.3
71.31528	0.4
89.79385	0.3
105.38910	0.3
128.28741	0.3
165.06935	1.3
166.07716	1.1
176.06129	1.2
177.06993	2.8
178.07663	1.1
179.08469	1.1
180.05653	0.5
181.06465	0.8
181.10168	0.5
189.07011	0.6
190.07713	0.5
191.08540	1.1
193.06454	1.0
194.07274	5.7
194.86981	0.4
195.07933	0.4
203.08472	0.3
204.05734	0.6
205.06474	10.5
206.07144	1.1
207.07990	1.7
208.08780	0.5
209.06026	0.4
209.09596	0.9
218.07278	0.7
219.08063	2.6
220.08446	0.3
221.06012	1.8
222.06758	9.7
223.03874	1.5
223.07327	1.4
224.08232	0.4
225.05516	0.5
233.05972	11.1
233.09515	0.7
234.06650	1.6
235.07542	4.5
236.04543	0.4
236.08157	0.8
237.05449	0.7
237.09090	6.2
238.06204	0.4
238.09590	0.3
239.06888	1.0
246.06734	0.5
247.07458	2.2
248.04675	0.7
248.08044	0.7
249.05457	3.2
249.09224	0.8
250.06235	17.9
251.03358	4.8
251.06886	4.1
252.07866	1.8
259.07556	0.5
261.02875	0.4
261.05466	7.1
262.06213	4.8
263.07013	10.6
264.07599	2.7
265.05072	3.1
265.08588	31.8
266.06039	0.6
266.08942	1.8
273.05466	0.5
274.06201	0.5
275.07007	3.2
276.07751	2.2
277.04959	2.3
277.08191	2.4
278.05756	5.3
278.08911	0.6
279.02924	1.3
279.06467	7.7
279.10056	0.9
280.07278	2.7
281.07956	0.7
287.06943	0.5
289.04959	1.4
289.08554	1.2
290.05704	2.1
291.06506	9.7
291.09644	0.5
292.07208	5.3
293.04568	2.4
293.08038	27.3
294.05176	6.9
294.08640	3.2
295.06012	0.8
295.09601	1.5
303.06458	1.5
303.09692	0.4
304.07312	1.8
305.04681	0.6
305.07993	6.2
306.05371	0.6
306.08582	1.8
307.05963	7.3
307.09579	2.0
308.06790	5.6
309.07404	1.3
309.10794	0.5
317.04495	0.5
317.08102	0.6
318.05136	0.8
319.05975	1.4
319.09631	1.9
320.06744	0.6
321.07599	4.2
321.11154	0.4
322.04633	0.6
322.08304	8.8
323.09119	100.0
324.09549	7.7
332.06793	1.4
333.07520	5.4
334.08231	1.3
335.05417	2.8
335.09125	1.4
336.06311	0.6
336.10181	0.4
337.06897	1.3
337.10724	4.7
347.09204	2.5
349.07010	0.7
349.10660	1.0
350.07748	6.0
351.08508	1.6
365.10187	29.9
366.10754	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27673	0.5
52.66538	0.5
53.03870	1.0
55.01788	0.8
55.05409	2.9
55.05694	1.0
65.03853	0.5
66.61491	0.4
67.05389	2.7
69.06947	3.6
69.07362	1.0
71.30851	1.0
74.95668	0.5
79.05366	2.1
81.06927	4.1
83.04903	1.2
83.08492	2.6
91.05346	4.4
93.06910	3.2
95.04870	1.3
95.08478	3.9
97.06418	1.2
97.82589	0.5
105.06893	4.2
107.04865	1.0
107.08450	4.4
109.06388	0.9
109.10010	2.1
109.10718	0.7
111.04321	0.7
111.07951	0.8
111.87675	0.5
113.51014	0.5
115.05382	0.8
117.06879	1.6
119.08575	4.6
121.06412	0.8
121.09995	2.6
123.08007	0.7
124.84093	0.5
128.06117	1.1
129.06892	1.9
130.07675	0.8
131.04797	0.7
131.08554	3.9
133.06374	1.2
133.09982	4.4
135.08011	0.7
135.11571	1.1
141.06885	1.5
142.07596	1.8
143.08421	2.3
145.06369	0.7
145.10117	4.2
147.07971	1.1
147.11708	3.9
149.05846	0.5
149.09511	1.0
149.13147	0.6
153.06866	1.0
154.07700	0.9
155.08441	2.0
157.10143	4.3
159.07935	1.2
159.11557	2.2
161.09531	1.3
161.13225	1.0
165.06956	2.7
166.07672	1.3
167.08421	1.3
169.10138	3.9
170.10669	0.8
171.07948	1.1
171.11703	2.8
173.09450	1.6
173.13138	1.5
175.11073	1.0
176.06100	1.4
177.06888	2.3
178.07646	1.8
179.08601	2.9
179.09973	0.9
180.09271	1.3
181.06398	0.7
181.10104	3.2
182.10748	0.6
183.11700	3.5
185.09579	0.5
185.13127	2.0
187.11087	0.8
187.14709	0.7
190.07634	0.9
191.08374	0.9
192.09233	0.9
193.06400	1.1
193.10138	2.9
194.07260	5.0
194.10614	0.5
195.07947	0.9
195.11671	3.7
197.09625	1.1
197.13127	2.1
199.11143	0.7
199.14764	1.3
203.08369	0.7
205.06499	9.3
205.10085	0.9
206.07016	1.4
206.10715	1.1
207.07954	1.2
207.11739	3.7
208.12294	1.6
209.05862	0.6
209.09471	2.0
209.13255	2.8
210.13847	0.8
211.11134	1.0
211.14775	0.9
213.12679	0.8
217.10205	0.7
218.07231	0.9
219.07965	1.8
219.11569	1.8
220.08806	0.6
220.12445	1.1
221.05891	2.3
221.09621	0.9
221.13248	3.8
222.06741	12.0
222.13820	1.0
223.03845	1.2
223.07269	1.2
223.11159	1.1
223.14723	2.4
225.12726	1.3
225.16263	2.3
227.17889	0.7
230.10857	0.6
231.11784	0.8
233.05986	11.1
233.09560	1.0
233.13129	2.3
234.06560	1.7
234.13960	1.5
235.07562	4.4
235.11121	0.8
235.14874	3.0
236.15569	0.9
237.05435	0.7
237.09174	5.7
237.12704	1.3
237.16394	3.1
239.06955	0.8
245.13297	0.7
247.07446	1.4
247.14752	1.9
249.05429	2.1
249.09015	0.9
249.12566	1.3
249.16319	2.2
250.06261	21.1
250.16853	0.9
251.03519	4.5
251.07057	3.1
251.17921	1.5
252.07748	1.2
259.14667	0.7
261.05499	8.2
261.16089	1.1
262.06186	3.3
262.13223	0.7
262.17114	0.6
263.07053	7.4
263.14261	1.4
263.17911	2.0
264.07620	1.8
265.05096	2.1
265.08600	33.9
265.19397	1.2
266.05988	1.0
266.08975	2.1
271.14731	0.6
275.07016	1.8
276.07611	1.2
277.04959	1.9
277.08533	2.2
277.11792	0.5
277.15857	1.2
277.19418	1.4
278.05725	5.0
278.08624	1.0
279.02945	1.3
279.06467	5.4
279.13736	0.8
280.07162	2.3
281.15359	0.7
283.17157	0.6
289.05209	1.0
289.08548	0.7
289.11819	0.6
290.05637	1.3
291.06522	10.0
291.20279	0.8
292.07181	3.6
293.04831	1.1
293.08072	26.7
293.15210	0.9
294.05188	6.5
294.08502	3.4
295.17081	0.7
303.06549	0.7
304.07294	2.0
305.08173	3.4
305.18915	2.6
305.22446	1.2
306.08774	1.2
307.06039	6.1
307.09433	0.9
307.13397	0.6
307.16986	0.8
308.06735	3.9
309.18719	1.2
319.09525	1.4
319.20322	3.0
321.07602	3.3
322.08295	7.4
323.09137	100.0
323.19873	1.7
324.09579	9.0
332.06699	1.1
333.07489	2.4
334.08182	1.2
335.05460	1.0
335.09140	1.3
335.14221	0.9
335.17896	1.1
337.07193	0.9
337.10791	2.7
337.21597	1.6
347.09109	2.1
347.20093	2.0
347.23822	1.5
349.10834	1.0
350.07877	2.3
351.08530	0.7
364.23831	1.5
364.33499	0.6
365.10242	20.7
365.21198	15.5
365.24768	13.5
366.10883	5.7
366.21140	0.7
366.25360	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1019
Annotation	Cassigerol B
Peak:m/z	Relative Intensity
51.46722	0.6
53.73505	0.4
55.05496	0.7
64.82451	0.6
67.05502	0.7
69.07077	0.9
71.31474	0.6
81.07056	0.7
88.70176	0.5
89.77867	0.5
95.08615	1.3
95.87497	0.5
98.10008	0.5
105.07038	1.4
106.58517	0.5
107.08634	0.7
107.15245	0.6
109.10115	0.7
119.08603	0.6
119.37993	0.5
140.59308	0.5
152.06149	0.5
159.11662	0.5
165.07057	1.1
166.07799	0.9
167.08519	0.6
171.08080	0.7
176.06207	1.0
177.06934	3.0
178.07770	1.6
179.08589	0.7
183.11711	0.8
190.07816	0.8
193.06471	1.1
194.07272	4.4
195.08075	1.1
205.06485	11.7
206.07086	1.6
208.05295	0.8
209.06102	0.7
209.09633	1.3
218.07303	1.1
219.08031	2.0
221.06047	2.0
221.09521	0.7
222.06728	9.4
223.03926	1.1
223.07452	1.6
225.16406	0.9
226.41687	0.5
233.05977	10.8
234.06627	1.6
235.07550	4.5
236.04662	0.6
236.08284	0.9
237.09042	5.4
246.06717	0.7
247.07507	2.0
249.05466	3.3
250.06244	18.6
251.03328	4.5
251.07021	3.6
252.07791	2.0
253.90320	0.6
261.05450	7.7
262.06253	3.4
263.07040	9.5
264.07666	1.2
265.05133	2.6
265.08591	30.5
266.06085	0.8
266.08987	2.9
275.07053	2.2
276.07846	1.2
277.04987	1.7
277.08551	2.1
278.05759	4.1
278.08853	0.7
279.03159	1.0
279.06512	6.4
279.09561	0.9
280.07202	3.0
289.04996	0.8
289.08551	1.0
290.05676	1.7
291.06503	10.2
292.07242	5.8
293.04553	2.1
293.08038	26.9
294.05203	5.9
294.08618	3.2
295.06128	1.3
295.09476	0.9
303.06573	1.0
304.07224	1.5
305.08038	5.4
306.08859	1.4
307.06082	6.1
307.09409	0.8
308.06711	4.2
309.07544	0.8
317.04486	0.8
319.09698	1.5
320.07059	0.6
321.07648	4.0
322.08362	6.1
323.09128	100.0
324.09549	9.4
332.06659	1.7
333.07544	3.0
334.08206	1.8
335.05505	1.0
335.09033	1.5
335.12729	0.7
337.10767	3.2
347.09201	2.6
349.06885	0.9
350.07852	3.6
351.08557	1.3
355.90277	0.6
365.10175	24.6
365.24680	1.7
366.10748	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	0.7
64.88998	0.7
69.03435	0.8
71.29675	1.2
78.16305	0.7
82.99864	0.7
97.02902	1.7
101.00890	3.2
110.01437	0.8
113.00854	0.8
114.05484	0.7
119.01937	2.7
122.01436	1.0
128.01346	0.9
131.01933	4.0
135.02112	1.0
137.01907	3.9
137.02888	1.2
137.11951	0.7
137.51947	1.0
137.76901	0.8
138.02731	1.0
143.01918	6.1
143.52002	1.5
144.02711	1.4
145.03456	1.7
149.01863	1.1
152.02451	2.9
155.01930	4.6
157.03461	1.7
158.02484	1.3
159.96169	0.7
161.02966	7.3
161.52943	1.1
164.02449	1.0
167.01826	0.8
167.03125	1.0
168.30008	0.8
169.03450	0.9
170.02353	0.9
171.05226	0.7
173.02972	7.1
175.04533	0.8
179.03014	2.4
182.03539	2.0
185.02705	4.4
185.04326	12.1
187.04561	1.2
188.03465	2.2
194.03529	2.7
197.02992	1.7
203.05386	26.6
203.54019	1.6
210.04675	0.9
212.04594	2.1
215.04053	2.4
221.05106	3.1
221.52550	1.0
224.04544	6.1
224.54608	3.2
225.04390	1.4
230.04549	0.8
233.05034	6.0
233.55386	0.9
235.23140	0.9
239.06090	2.8
245.05008	7.6
254.05672	1.6
263.03491	0.8
263.06082	3.7
275.06079	10.3
276.06509	1.2
284.06689	3.0
305.07098	6.5
305.57333	2.0
359.59924	0.8
365.08859	100.0
366.08963	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12905	0.5
53.74024	0.4
58.99870	0.9
69.03427	0.7
71.29850	0.6
82.99835	0.9
85.06534	2.9
86.90924	0.6
94.99862	0.6
97.01425	0.5
97.02876	1.0
97.60162	0.5
101.00890	4.6
103.02444	0.7
113.00896	4.0
113.04545	1.3
115.02442	2.7
117.04005	0.5
119.01936	4.4
120.02003	0.8
127.02428	1.5
129.03992	2.2
131.01923	8.5
131.04561	0.8
131.05551	15.1
132.02052	0.6
132.05696	1.1
133.01729	0.5
133.03496	4.1
143.01917	2.8
143.05565	2.3
145.03493	4.4
146.03593	0.6
147.05028	1.3
149.02977	0.5
149.06618	10.9
155.01910	9.2
155.03072	0.8
155.05582	2.4
156.02632	1.5
157.03465	3.3
157.07153	0.6
159.05061	2.7
161.02975	3.2
161.06599	13.6
162.06714	0.9
167.05553	1.2
171.05048	2.0
173.03009	7.1
173.06604	14.2
174.02956	0.7
174.06830	1.0
175.02936	0.6
175.04549	1.5
177.06142	0.7
179.07719	3.4
183.05080	0.8
185.02977	1.5
185.04961	0.5
185.06607	12.2
186.06824	0.9
187.08142	4.0
189.06128	2.2
191.07655	1.3
193.03725	0.6
197.06631	5.5
199.04526	0.5
199.08185	3.1
201.06122	1.1
203.04068	5.6
203.07661	24.3
204.07858	2.2
209.06583	4.8
215.07669	27.7
216.07874	2.0
217.09262	4.6
219.01942	0.7
220.02170	1.1
221.01746	0.8
221.05045	16.0
222.05215	1.0
223.04984	1.0
227.07632	3.2
229.09221	1.4
239.07689	7.1
245.05142	0.6
245.08737	3.2
257.08804	3.9
259.06583	1.0
261.08246	1.5
262.08493	0.6
269.08606	0.9
273.08255	1.2
275.07150	0.3
275.09824	8.7
276.10089	0.9
279.09280	1.4
287.09851	3.3
305.10831	100.0
306.11075	9.6
323.11902	10.4
324.12012	0.9
327.47800	0.5
365.08234	3.7
365.12894	4.5
383.08481	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64656	2.3
51.80737	2.5
56.96577	2.1
57.54802	2.3
58.28945	2.1
69.07062	9.5
71.30416	3.1
71.30796	2.4
74.58340	2.2
85.02885	5.7
93.07067	2.7
97.02898	4.5
97.06534	3.7
98.97599	4.6
114.37450	2.2
114.44386	2.1
140.07076	16.7
145.07603	2.6
160.07584	6.6
163.03905	4.2
168.06563	44.0
171.05669	2.3
173.07155	9.1
174.07881	5.2
182.08083	2.9
185.04149	13.0
186.07605	12.8
187.08665	3.0
203.03485	4.2
203.05214	26.5
210.07594	3.6
212.07098	3.0
219.01787	3.1
222.08839	3.3
285.10251	4.5
287.10464	2.9
288.08990	3.5
291.11224	3.8
295.05902	2.6
301.09665	3.9
302.12988	4.6
303.11276	4.1
312.11124	4.4
313.09528	4.8
319.10818	6.6
323.10184	6.5
330.12402	21.9
336.12912	3.0
347.15067	13.1
348.13367	23.8
365.06482	11.3
365.10568	100.0
365.15942	12.0
366.11099	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
62.32154	2.1
63.62461	2.1
64.38634	2.0
68.65879	2.0
69.07078	23.0
69.57139	7.7
70.06593	8.6
80.74512	2.4
85.02918	6.3
89.20107	2.4
98.22681	4.3
112.07616	13.4
123.04486	2.7
139.44316	2.0
140.07068	48.3
140.08066	3.9
158.08156	11.6
168.06575	100.0
169.06920	3.7
186.05981	4.3
186.07613	36.0
203.05316	4.8
204.06871	3.6
277.08414	2.3
302.77817	2.7
365.10721	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2112
Annotation	6alpha-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
50.74446	1.2
53.03936	2.3
55.01860	4.1
55.05513	12.3
57.03442	1.7
57.07074	3.1
65.03940	1.3
67.05511	13.3
69.03445	2.7
69.07067	14.1
71.04974	1.3
73.02833	1.2
79.05495	26.2
81.07059	50.0
83.04985	38.3
83.08627	2.7
85.06523	1.5
91.05483	23.7
92.36823	1.5
93.07039	18.3
95.04982	4.9
95.08612	15.1
97.02906	2.1
97.10166	1.6
98.07529	1.3
98.23421	3.4
103.05482	1.7
105.07030	27.9
107.04952	3.1
107.08603	17.3
109.06524	25.8
109.10159	5.2
111.04430	1.5
111.05959	1.4
111.08114	3.0
115.05459	3.1
116.06280	1.3
117.07017	10.0
119.04916	2.1
119.08568	20.2
121.06493	3.9
121.10153	6.7
123.08029	1.6
124.11903	1.2
124.84868	1.2
125.09655	1.9
128.06226	7.1
129.07036	10.8
130.07822	3.0
131.08574	19.1
133.06490	5.3
133.10129	17.2
135.08080	4.3
135.11726	3.0
137.05980	62.9
137.07047	3.0
137.09575	1.8
139.07622	2.5
141.07008	6.7
142.07800	11.4
143.08568	18.8
144.09305	3.9
145.06427	4.0
145.10135	21.1
147.08067	3.0
147.11707	5.8
151.07545	2.7
152.06276	1.7
153.06987	6.8
154.07832	4.5
155.08534	15.3
156.09360	10.9
157.06529	2.2
157.10120	19.3
159.08034	6.4
159.11707	9.2
161.06003	1.8
161.09572	3.3
161.13332	1.6
165.06978	10.1
166.07771	4.8
167.08574	11.1
168.09373	5.2
169.10143	23.0
170.10922	8.3
171.08058	5.4
171.11690	20.8
172.12170	1.7
173.09607	2.9
173.13271	4.3
175.11249	1.6
178.07774	6.4
179.08563	12.5
180.09332	7.0
181.10123	14.5
182.10912	5.1
183.08081	3.9
183.11697	28.9
184.12430	6.6
185.09641	7.6
185.13261	25.8
186.10188	2.4
186.13684	1.4
187.07491	2.0
187.11194	5.2
189.06984	1.6
189.09111	2.9
191.08551	4.2
191.87434	1.5
192.09332	8.1
193.10158	16.4
194.10895	6.5
195.08076	5.3
195.11693	21.0
196.12466	4.7
197.09654	6.9
197.13243	11.8
198.10385	1.7
198.13962	2.4
199.11218	4.5
199.14845	11.6
201.09122	1.7
201.12735	2.8
202.07825	2.9
203.08713	3.2
203.10620	2.9
204.09288	3.2
205.10133	9.6
206.10883	7.9
207.08034	2.8
207.11690	16.6
208.12390	4.6
209.09688	5.5
209.13257	14.1
210.10396	2.4
210.13940	4.2
211.11118	10.3
211.14740	6.6
213.09224	2.5
213.12735	6.7
215.08601	3.7
215.10658	2.8
215.14436	1.4
216.09338	2.9
217.10155	10.7
217.12000	1.8
218.10892	5.4
219.08105	2.8
219.11656	13.1
220.08919	1.7
220.12460	10.4
221.09615	4.6
221.13214	15.6
222.10466	2.9
222.14024	3.9
223.11191	5.4
223.14864	8.4
224.11992	2.8
224.15616	1.8
225.12761	7.9
225.16402	4.3
226.13480	3.5
227.10739	2.8
227.14284	13.3
228.14952	2.7
228.98605	1.6
229.10204	3.1
229.12242	1.6
230.10909	5.0
231.08141	1.5
231.11853	10.3
232.08937	2.0
232.12357	7.1
233.09621	3.7
233.13263	12.8
234.10310	3.8
234.14032	3.6
235.11205	5.8
235.14845	12.8
236.15466	3.0
237.12749	7.6
237.16437	5.6
238.13385	1.6
239.10706	2.5
239.14354	5.4
239.18027	1.6
241.12254	2.5
242.10837	2.5
243.11740	6.1
244.12436	5.0
245.09581	2.0
245.13303	11.2
246.10367	2.5
246.14056	5.4
247.01286	1.4
247.11165	5.1
247.14836	11.4
248.11986	2.6
248.15416	3.4
249.09221	1.8
249.12683	6.7
249.16411	5.9
250.13408	1.5
251.10582	3.8
251.14314	3.7
251.17949	2.9
253.12219	2.3
253.15968	6.2
255.13979	1.9
256.12390	1.8
257.13303	7.2
258.14014	3.2
259.11142	3.2
259.14792	7.9
260.11966	1.9
260.15649	4.3
261.12732	3.6
261.16388	7.4
262.13776	1.6
262.17206	3.9
263.14401	9.6
263.17950	4.6
265.12314	4.8
265.15829	3.8
267.13892	7.9
269.15366	1.6
270.13727	1.6
271.14917	3.7
272.15710	3.9
273.12741	3.6
273.16415	6.0
274.13525	2.0
274.17065	1.6
275.14328	4.3
275.17953	11.5
276.15140	1.7
276.18683	2.4
277.12656	2.4
277.15872	5.2
277.19501	7.5
279.13812	4.3
281.15372	8.4
285.16388	2.0
286.17261	2.3
287.14664	2.6
287.18036	4.5
289.15933	2.5
290.16608	1.7
291.14020	7.5
291.19711	4.7
292.14380	1.5
293.15521	3.2
299.14349	1.5
301.16571	1.6
301.19479	8.7
303.14099	2.3
303.17422	3.7
303.20840	2.3
304.18127	2.6
305.15387	3.7
305.19022	6.4
306.19464	1.7
307.16882	4.4
309.14902	15.7
310.15363	2.9
319.17065	1.0
319.20612	24.9
320.20908	3.1
321.18536	17.5
322.19119	4.1
323.09421	1.9
323.16364	3.1
323.20032	6.6
329.18988	5.5
332.17590	2.5
337.21582	12.8
347.20020	33.2
348.20313	4.4
365.10388	3.5
365.21127	100.0
366.21436	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
55.01871	9.0
55.05512	32.9
57.03443	11.1
59.04996	2.1
65.03938	2.3
67.05502	36.0
67.16557	0.9
69.03392	22.1
69.07069	48.6
71.04995	2.4
79.05492	29.3
81.03422	7.3
81.07057	24.4
82.10538	0.7
83.04983	5.2
83.08617	9.2
85.02903	0.9
85.06531	1.8
88.59870	0.8
91.05478	17.0
91.06010	1.4
93.07043	20.8
94.04198	1.1
95.04973	9.9
95.08604	13.3
97.02890	19.1
97.06532	4.9
97.10175	19.8
99.08120	1.0
103.05448	0.8
103.98723	0.7
104.42792	0.8
105.04507	1.3
105.06357	1.5
105.07022	13.9
106.07436	0.8
107.04955	9.1
107.08596	16.7
109.02871	1.2
109.06523	5.4
109.10163	11.5
111.04438	1.0
111.08082	3.1
113.05944	0.9
115.05425	2.1
117.07013	8.7
119.04926	0.9
119.08572	13.6
121.06487	5.3
121.10169	5.4
121.61471	0.8
123.04508	0.9
123.08107	4.1
123.11740	1.7
125.06067	0.8
125.09620	17.1
128.06248	1.1
129.07008	3.4
131.08554	8.1
133.06497	2.4
133.10136	6.5
135.08060	6.5
135.11688	3.2
137.06024	1.1
137.09589	4.6
141.06976	1.5
142.07767	1.5
143.08571	4.8
145.06456	1.5
145.10109	6.8
145.72473	0.8
147.08057	6.0
147.11687	4.8
149.09608	1.8
149.13182	1.8
151.11240	1.1
153.09135	1.6
153.12798	0.9
155.08548	1.9
157.10147	3.4
159.08122	1.3
159.11687	4.6
161.09612	3.6
163.11201	2.2
165.07001	1.1
165.09120	2.8
167.08591	0.8
169.10138	2.9
171.08023	2.2
171.10187	1.3
171.11725	2.4
173.11845	1.1
173.13292	0.9
175.11166	1.6
177.12776	2.2
179.08655	1.0
179.10628	1.3
183.11691	2.4
185.09584	0.8
185.13249	2.0
187.13310	0.9
189.11264	7.2
189.12741	1.5
193.10159	1.3
195.11711	2.4
195.13829	2.6
197.09579	1.1
199.11223	1.5
205.12267	2.4
207.11665	0.9
209.13326	1.9
211.11206	1.4
219.11604	1.0
221.13289	1.3
223.13277	34.3
224.13568	1.2
225.12787	1.8
225.16348	1.0
227.18016	1.6
245.18990	2.6
251.17912	1.2
255.17375	1.4
261.18326	0.8
263.19977	1.1
266.20197	1.0
273.18460	15.4
274.18640	1.1
291.19540	100.0
292.19839	5.7
339.00430	0.9
365.10291	1.5
365.23544	35.0
366.23584	1.6
381.94287	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.0
54.36458	3.5
55.01869	11.3
55.05510	22.6
56.37563	3.4
57.03424	11.5
57.07077	6.9
59.09751	3.7
60.05687	5.1
61.02929	20.9
65.03924	4.6
67.05504	33.0
69.03426	32.2
69.07067	27.5
69.88759	16.9
71.04996	27.7
71.39361	3.7
73.02905	12.6
73.74496	3.3
79.05484	24.8
81.03415	19.8
81.07055	54.3
83.04980	13.0
83.08614	9.2
85.02909	47.1
85.06530	6.5
91.05472	52.0
93.07030	50.0
95.04965	16.3
95.08604	72.7
97.02892	15.3
97.06515	12.4
97.10115	4.4
99.04462	9.0
99.08066	4.6
99.10971	4.7
103.03958	8.8
105.07030	63.6
107.04963	9.6
107.08597	46.9
109.02844	4.5
109.06493	12.4
109.10155	32.3
111.04429	8.5
111.08081	8.6
115.03936	5.1
117.07007	22.4
119.08578	62.4
121.04269	4.5
121.06503	12.8
121.10149	33.5
123.08131	7.1
123.11714	17.3
125.09606	9.2
127.03864	5.5
127.11209	10.7
128.06247	9.0
129.05481	6.7
129.07008	15.4
130.07809	5.7
131.08562	47.4
133.06488	8.0
133.10114	52.4
135.08023	12.2
135.11690	19.3
137.05991	4.7
137.09625	12.6
139.11171	6.7
141.06985	4.7
142.07784	11.8
143.08556	34.6
143.10725	5.7
144.09351	4.5
145.06512	10.0
145.10115	66.9
147.08040	16.7
147.11687	38.9
149.09590	17.4
149.13268	7.9
151.11171	9.2
153.05527	5.1
155.08559	12.0
156.09340	9.6
157.10168	37.1
158.10829	4.8
159.08035	12.0
159.11693	62.0
161.09587	9.0
161.13344	20.1
163.11121	8.7
163.14742	5.1
169.10115	14.3
171.08064	11.6
171.11661	34.6
173.09608	12.6
173.13268	26.9
175.07494	5.5
175.11194	8.0
175.14796	9.0
176.07063	9.5
176.10701	14.8
177.07362	11.1
177.09111	5.3
177.11086	14.6
177.12743	5.4
179.10677	5.2
180.09404	3.6
181.10031	7.7
181.73714	3.9
183.11684	16.7
184.08786	3.8
184.73138	3.6
185.13272	19.7
187.11218	8.5
187.14806	28.5
189.09125	7.9
189.12817	10.5
189.16385	46.3
191.10628	7.2
195.11670	8.8
197.13261	10.7
199.11266	4.4
199.14850	13.1
201.12743	9.0
201.16428	32.5
203.14163	5.4
203.17958	15.7
205.10681	6.0
206.11409	12.3
207.10062	8.6
207.11800	7.7
209.11655	6.8
213.00595	3.8
213.12679	11.0
213.16310	13.6
215.14384	6.3
215.17969	16.8
219.17470	4.2
225.12802	8.9
225.16418	6.7
227.14380	7.8
227.17961	11.4
229.19548	4.4
231.13947	5.2
231.17570	10.4
241.15582	3.9
242.12605	4.2
243.13805	10.7
243.17409	5.7
245.19057	12.8
257.18954	5.2
259.17041	4.9
261.14972	8.3
269.18954	10.0
275.20010	6.5
279.15845	7.4
287.19885	10.4
293.18936	4.2
299.20184	4.3
302.17511	6.8
303.17856	76.8
311.20007	16.3
329.21219	31.5
347.22336	37.8
364.19418	3.8
365.23373	100.0
366.23508	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
51.68687	4.4
51.89862	4.3
53.03944	7.1
55.01881	10.7
55.05511	18.7
57.03440	15.1
57.07056	10.9
61.02916	12.4
66.84556	4.3
67.05503	33.8
69.03426	34.9
69.07069	25.8
69.26607	19.0
69.27036	15.3
71.05000	29.5
73.02917	13.2
79.05491	30.2
81.03412	22.3
81.07063	54.6
83.01382	4.4
83.04983	13.6
83.08637	9.0
85.02898	43.4
87.04491	5.8
91.05481	41.6
93.07047	59.4
95.04980	16.9
95.08602	70.6
95.09164	6.1
96.08949	4.7
97.02892	17.5
97.06560	10.0
98.23382	7.4
99.04449	10.1
99.08076	5.3
103.03944	11.2
105.07027	74.6
107.04951	8.9
107.08596	55.8
109.02862	6.9
109.06490	10.6
109.10148	39.0
111.04442	10.2
115.03951	7.1
115.05575	4.2
115.39397	4.4
117.07030	21.0
119.04986	5.6
119.08571	77.0
121.06544	13.4
121.10158	36.6
123.08078	12.4
123.11711	18.9
123.40611	4.6
125.09609	11.4
127.03940	9.6
127.11221	18.3
128.06207	6.1
129.05489	8.0
129.07014	13.2
131.08539	42.5
133.06468	8.4
133.10124	51.6
135.08058	12.7
135.11705	21.7
137.09636	16.4
141.06978	8.4
142.07793	9.5
143.08551	32.4
143.10622	5.4
144.09366	7.7
145.06490	6.5
145.10104	67.9
147.08060	19.7
147.11679	43.6
149.09633	16.3
149.13260	9.8
151.11218	4.9
153.12738	5.2
155.08574	14.8
156.09366	9.9
157.10121	43.7
158.10875	6.2
159.08075	19.8
159.11693	64.5
161.09613	12.8
161.13264	16.8
167.08588	7.0
169.10164	16.4
170.10858	4.7
171.06749	4.3
171.08098	15.5
171.11644	31.0
173.09619	13.6
173.13243	34.5
175.11237	14.4
175.14807	10.6
177.16362	5.0
181.10092	8.2
183.11742	13.8
185.09604	5.3
185.13295	23.2
187.14803	26.3
189.09068	8.1
189.12743	9.0
189.16389	50.4
191.10851	5.7
194.10947	4.8
195.11700	6.6
197.13220	11.1
199.11162	9.0
199.14836	10.0
201.12753	14.4
201.16411	45.6
203.17952	14.0
205.10742	5.0
206.11075	5.6
207.10161	12.7
209.11638	5.9
211.14912	6.0
213.12749	8.0
213.16406	15.6
215.17923	22.8
223.14886	7.8
225.12822	10.3
225.16301	9.6
226.51372	4.1
227.14410	5.7
227.18011	7.7
231.17480	14.9
236.21956	4.5
239.17870	5.9
241.15898	6.4
243.13954	5.8
243.17468	8.6
245.19020	15.8
261.14911	8.4
269.18930	5.9
273.18494	5.6
275.20380	4.7
287.20078	5.5
299.20065	9.1
303.17838	22.0
311.19986	24.4
316.24698	5.1
317.21024	5.9
329.21176	40.1
347.22198	44.9
365.23343	100.0
366.23392	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
55.05515	12.3
57.03418	1.9
57.07088	2.4
67.05509	23.2
69.03411	1.9
69.07076	10.4
71.30085	2.8
79.05505	8.4
81.07053	15.1
83.04969	4.1
83.08588	2.0
91.05472	14.6
93.07046	22.9
94.07383	1.6
95.04958	3.8
95.08607	41.4
97.06530	4.2
97.10184	2.0
98.22935	2.4
99.04429	1.9
105.07024	16.2
107.08609	15.0
109.06496	4.4
109.10159	15.2
111.04447	2.8
111.08085	9.5
113.05995	5.0
117.07015	10.9
119.08582	35.2
120.08911	1.7
121.06481	5.2
121.10134	10.3
123.08065	11.2
123.11694	3.3
128.06226	5.8
129.07008	16.8
130.52679	1.8
131.08565	15.0
133.10129	20.9
135.08005	2.6
135.11748	7.8
139.07562	4.0
141.07036	8.4
141.09123	3.7
142.07747	8.5
143.08577	23.2
145.10095	13.8
147.08046	4.4
147.11690	8.4
153.06989	3.8
154.07806	6.9
155.08557	23.2
156.09380	9.8
157.08905	2.3
157.10136	32.9
159.11693	22.2
161.09628	15.1
161.13255	6.5
163.11201	4.0
165.06961	2.8
166.07811	1.7
167.08511	10.8
168.09320	11.3
169.10143	43.2
170.10825	4.8
171.11691	50.0
173.13239	13.1
175.11162	4.8
179.08528	3.6
179.10680	7.2
180.09325	2.4
181.10133	15.3
182.10916	9.7
183.11693	83.6
184.12128	6.1
185.13264	44.9
186.13622	1.7
187.11227	1.8
187.14789	5.2
189.12724	6.0
192.09290	3.1
193.10187	6.4
193.12224	4.8
194.10912	4.1
195.11678	15.9
196.12534	9.5
197.13257	81.7
198.13609	4.2
199.14806	6.8
206.10889	2.9
207.11694	4.4
207.13794	3.6
208.12407	5.0
209.13295	16.4
210.13847	8.3
211.14816	22.5
212.15367	1.6
219.11780	2.1
221.13243	7.2
222.13828	2.9
223.14818	20.9
224.15497	5.1
225.16377	100.0
226.16782	7.9
227.17957	3.3
233.13248	2.0
235.14864	5.7
236.15622	1.9
237.16386	15.6
238.17006	2.3
239.14423	2.1
239.17885	4.8
249.13031	2.2
249.16312	4.8
251.14305	3.0
251.17938	11.5
253.19482	4.9
263.17978	4.9
265.19434	15.4
266.20230	7.7
289.19370	1.9
291.17410	2.1
291.20978	4.6
319.24240	7.5
329.22464	2.5
347.23712	12.6
365.09732	3.9
365.17923	4.8
365.24738	53.7
366.10022	3.9
366.25089	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2689
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.05504	1.0
56.96557	0.8
57.02691	0.2
57.06802	0.3
57.07077	4.0
59.04987	0.3
67.05499	1.5
69.07063	1.2
69.17545	2.0
70.07355	0.3
71.08627	1.0
72.21237	0.2
79.05492	0.6
81.07057	2.3
83.04960	0.4
83.08617	0.4
85.06530	1.0
85.10169	0.6
91.05485	0.9
92.00355	0.2
93.07034	1.3
95.04967	0.5
95.08602	2.3
97.06527	0.3
98.98466	2.3
99.08064	0.3
105.07045	0.9
107.08596	1.0
109.06503	1.5
109.10173	1.0
117.07001	0.3
119.08569	0.8
121.06493	0.3
121.10127	0.6
123.01197	0.3
123.08071	3.6
124.08885	1.5
133.10136	0.6
135.08104	0.8
137.06001	0.5
137.09610	0.4
138.06683	0.3
139.07520	0.4
143.08534	0.4
145.10103	0.4
147.11674	0.4
151.07542	3.4
151.11182	0.5
152.08330	7.5
155.01042	3.3
157.10124	0.5
161.09589	0.3
163.11145	0.3
165.09123	10.0
166.09796	0.6
169.10136	0.3
171.11659	0.4
175.11125	0.4
177.12753	0.4
179.10693	2.1
181.12311	0.6
183.11635	0.3
185.13312	0.5
194.13008	3.8
197.13191	0.4
207.07957	0.3
207.13712	1.9
221.15334	0.4
225.16386	0.3
235.16983	0.7
249.18600	0.5
250.06375	0.3
263.20114	2.6
265.08521	0.5
265.19601	0.3
274.21921	0.3
277.21683	0.4
283.06314	0.5
293.07956	0.3
299.66745	0.3
307.06107	0.3
314.81882	0.3
319.26273	1.3
322.08466	0.3
323.09128	1.2
324.09494	0.3
332.87302	0.3
347.25812	17.4
348.26251	1.5
365.10413	1.1
365.26871	100.0
366.10803	0.3
366.27246	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01847	1.6
55.05495	0.5
57.03440	3.5
59.04984	1.3
60.04528	3.2
61.02925	2.0
67.05478	1.5
69.03094	0.6
69.03429	9.3
71.01334	1.1
71.04992	3.7
71.29647	0.7
73.02896	1.1
79.05473	1.6
81.03403	1.9
81.07056	2.5
83.04977	0.9
83.08623	0.6
85.02872	0.9
85.06513	0.7
87.04475	0.9
91.05460	1.4
92.04986	0.4
93.07021	1.8
95.08571	1.4
97.06528	0.7
99.04448	3.3
104.04980	0.7
105.07005	1.1
106.06550	2.9
107.08585	1.2
109.06541	0.6
109.10157	1.8
111.08118	0.4
113.05980	0.6
116.04971	3.0
117.05476	0.9
118.05280	3.0
118.06528	0.6
119.08580	0.5
120.08119	0.5
121.06476	0.5
121.10155	0.5
123.08125	0.5
123.11690	1.2
124.07542	0.6
129.68634	0.4
130.06537	0.6
131.06024	1.9
132.76079	0.4
133.07616	10.8
133.10123	0.7
141.09050	0.7
143.06039	1.8
144.06844	0.4
145.07603	13.6
146.08321	0.5
147.09148	1.2
151.07449	0.4
151.11160	3.9
156.08067	0.8
157.07637	1.9
158.04776	0.7
159.09155	1.2
161.07118	2.0
163.08665	14.0
169.08734	0.5
169.12196	2.2
170.08336	0.5
171.05504	1.1
171.09114	1.3
173.07133	0.9
173.10767	0.5
175.08690	4.0
176.09398	0.8
177.06622	2.8
177.10237	0.6
183.09167	1.3
185.04294	0.5
185.10727	1.0
187.09633	1.4
189.06580	8.1
189.10179	0.6
191.08151	0.8
199.08609	0.5
200.09413	1.5
201.10202	2.6
203.08131	0.5
203.11774	0.6
204.10103	0.5
205.09814	0.6
207.07642	100.0
208.07980	3.4
213.10275	1.3
214.06003	1.1
215.08150	0.7
215.11838	1.0
219.07715	0.5
229.09659	1.2
230.10410	0.5
231.11365	0.9
232.07156	12.5
233.07578	0.4
239.04262	0.4
241.09711	0.8
243.11282	0.5
247.10895	0.4
249.12378	0.6
261.08713	0.6
261.12338	2.0
269.09265	0.7
275.10397	0.4
277.11780	0.6
279.13394	6.7
280.13675	0.5
287.10291	0.9
305.11267	3.0
323.12363	47.5
324.12796	2.9
330.26410	0.8
348.11865	4.9
348.27332	0.8
349.11792	0.5
366.12946	48.9
366.28592	1.5
367.13449	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93183	0.1
57.07059	0.1
57.34998	0.1
58.52251	0.1
69.23263	0.3
69.23684	0.4
71.08633	0.1
77.92840	0.1
85.02890	0.1
86.59999	0.1
89.06001	0.4
98.22599	0.2
133.08609	0.1
152.06241	0.1
165.06972	0.1
174.48445	0.1
176.06308	0.1
177.07109	0.1
178.07738	0.2
179.08496	0.3
181.10176	0.1
189.06883	0.5
190.07764	0.2
191.08545	0.5
192.09322	0.2
193.06561	0.1
193.10240	0.2
194.07272	0.1
195.08015	0.4
195.12167	0.1
202.07669	0.6
203.08499	0.6
204.09320	0.2
205.06412	0.4
205.10040	0.4
206.07164	0.2
206.10780	0.2
207.08055	0.9
208.08768	0.3
209.09727	0.6
215.08528	0.4
216.09390	0.2
217.06461	0.2
217.10170	0.4
218.07228	0.9
218.10828	0.2
219.08020	2.7
220.08780	0.5
221.06013	0.3
221.09589	1.1
222.06789	0.1
222.10347	0.7
223.07484	0.3
223.10966	0.1
224.08354	0.2
230.07289	0.2
231.07973	1.2
232.05139	0.1
232.08786	0.8
233.06033	1.1
233.09572	2.1
234.06808	0.7
234.10349	1.6
235.07512	2.1
235.11047	0.4
236.08200	0.4
236.11816	0.2
237.09061	0.4
237.12663	0.3
238.09669	0.1
239.07028	0.1
243.08049	0.3
244.08757	0.4
245.05937	0.2
245.09630	1.3
246.06772	0.6
246.10394	0.8
247.07527	5.3
247.11090	0.8
248.08250	1.9
249.05421	0.4
249.09082	3.8
249.12735	0.4
250.06113	0.2
250.09860	2.1
251.07112	0.7
251.10495	0.3
253.08644	0.2
255.06459	0.1
259.07504	0.9
259.10013	0.1
259.11215	0.1
260.08234	0.8
261.05771	0.2
261.09076	3.1
262.06491	0.3
262.09872	8.1
263.06995	2.7
263.10504	1.6
264.07727	1.3
264.11398	1.2
265.08572	1.0
265.12204	1.8
266.09305	0.6
266.12143	0.2
267.10184	0.2
268.07437	0.1
272.08313	0.2
273.06329	0.1
273.09012	0.7
274.06616	0.2
274.09866	0.9
275.06985	2.0
275.10602	0.9
276.07916	0.7
276.11395	0.6
277.08566	6.4
277.12183	3.8
278.09348	6.3
278.12494	0.3
279.06796	0.2
279.10001	1.4
279.13519	0.1
280.07639	0.1
280.10812	1.0
281.08145	0.2
287.07230	0.2
288.07742	0.4
289.05624	0.1
289.08551	3.2
290.05820	0.5
290.09286	3.8
290.12637	0.2
291.06473	1.3
291.10074	2.7
292.07468	0.2
292.10880	5.4
293.08099	1.1
293.11639	9.7
294.08701	0.6
294.12103	0.8
295.09833	0.1
303.10147	1.4
304.07294	0.5
304.10870	1.0
305.08029	6.7
305.11682	4.5
306.08636	1.3
306.12192	0.3
307.09601	1.0
307.13260	3.7
308.10376	1.6
308.14001	4.1
309.07693	0.1
309.11069	0.2
309.14401	0.3
318.08762	0.2
319.09586	1.5
320.10410	14.3
321.07828	0.5
321.11136	10.0
322.08179	0.2
322.11539	1.0
323.09253	0.2
323.12723	0.6
324.09818	0.1
324.13324	0.1
333.11377	0.4
335.12732	100.0
336.09824	1.1
336.13266	13.3
337.10492	0.3
337.14072	0.6
339.12003	0.1
351.12250	14.0
352.12607	1.2
366.14584	43.3
367.15048	4.8
367.19705	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.5
58.99588	4.0
59.04997	6.7
59.43607	4.4
67.05494	6.6
69.03436	8.4
69.17062	3.5
70.53831	10.6
71.04988	3.2
72.08167	7.9
81.07055	11.0
85.02920	12.2
91.05475	7.9
93.07034	8.3
95.08645	5.7
97.02888	4.6
97.06533	3.9
100.02200	22.1
105.07022	38.6
107.08607	19.4
109.10201	4.1
116.01670	22.3
123.08041	3.7
123.11714	26.2
133.10124	97.7
145.60748	3.9
147.04434	7.0
147.09189	16.1
151.11205	14.4
162.02177	4.5
164.37932	3.5
169.08583	6.3
169.12248	5.0
179.09297	4.1
186.09164	17.8
187.09677	5.1
203.04872	23.3
204.10211	22.5
229.47469	4.0
237.80266	3.8
256.94138	3.8
271.10742	12.2
275.73849	3.9
281.15018	14.7
299.10464	5.0
317.11374	7.8
324.16495	3.7
335.12369	4.0
348.69284	3.7
348.74948	3.6
366.06918	4.4
366.11148	5.6
366.15405	5.7
367.13574	100.0
367.17075	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01865	2.1
57.03438	1.9
59.05001	3.6
60.49137	1.5
61.02929	4.1
67.05500	4.1
69.01442	13.6
69.01859	2.6
69.03407	7.8
69.07040	1.8
69.88255	1.2
73.02905	2.3
79.05475	1.5
81.03410	4.3
81.07051	20.4
85.02904	33.5
91.03952	2.5
91.05472	3.3
92.32020	1.5
93.07049	32.8
95.04951	1.3
95.08605	100.0
96.08936	3.1
97.02888	9.7
98.03197	1.5
99.04478	1.6
103.05466	5.9
105.07040	2.2
107.08603	2.9
109.02883	2.9
109.10159	4.2
111.08097	1.5
115.05428	2.6
119.04883	1.7
122.03654	2.1
123.11709	34.7
127.03908	5.5
129.38960	1.4
131.04944	7.4
133.02881	1.9
133.10181	1.8
137.05975	21.1
143.04927	1.8
145.04956	11.1
145.06413	1.5
149.06024	4.1
151.07545	4.0
151.11176	24.8
155.04910	2.0
155.08427	1.6
161.05994	9.4
163.06181	1.3
163.07562	8.0
169.06458	1.8
169.12236	90.3
170.12593	3.3
175.07512	13.6
180.08701	5.9
185.05978	10.1
186.06720	1.7
187.07579	3.8
189.08997	1.7
199.07570	3.5
204.15962	18.4
213.09143	7.3
231.08026	2.5
233.06029	1.5
245.93422	1.6
248.08263	2.3
257.09698	2.0
257.58926	1.7
259.07474	1.7
261.09030	2.4
265.08563	3.1
269.04611	1.7
274.09995	2.3
276.07904	2.2
277.08667	2.1
279.10184	2.1
284.10101	2.1
285.02267	1.4
285.08850	2.1
288.09482	2.5
289.08511	2.9
289.12079	1.7
291.10043	2.6
293.08023	4.2
301.36224	1.4
302.09210	2.2
308.10452	3.5
317.11633	4.0
319.09616	2.5
321.11185	6.2
323.12753	14.9
335.12772	4.0
337.14221	2.7
349.14267	8.9
366.16327	2.3
367.07965	2.6
367.15292	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	3.3
67.05507	16.0
69.07070	96.9
71.04990	13.2
71.11880	3.4
72.48180	2.6
73.18601	3.2
79.05492	4.9
81.07072	16.2
85.02906	8.2
85.06516	2.9
91.05520	6.9
95.04953	4.4
95.08617	5.3
103.05482	6.5
105.07056	5.4
107.08603	9.0
109.06518	10.0
109.10155	100.0
110.10471	4.1
111.04516	3.0
113.05978	7.0
115.05429	3.4
115.27647	3.5
121.06520	4.9
123.11710	14.7
131.04932	7.1
133.10139	5.1
137.06003	16.4
141.09123	12.9
147.04463	3.7
147.08051	3.0
151.07510	7.0
151.11165	17.3
155.07019	5.0
161.05995	14.6
163.07549	13.0
169.08566	8.7
169.12248	47.4
169.40660	3.3
170.12541	4.0
175.07532	22.0
177.05516	4.0
181.08496	5.3
185.06035	14.6
187.07625	5.9
187.09494	4.4
189.09146	3.3
191.59636	3.4
209.08098	8.5
213.09274	4.4
219.10159	3.6
231.08153	3.0
245.09619	3.6
261.09042	5.0
263.10690	4.3
275.07117	2.8
289.12152	4.2
290.09351	3.3
290.52145	3.3
291.10083	4.9
293.08182	4.9
308.10349	6.1
317.11670	5.7
321.11197	6.8
323.12610	18.1
337.14468	3.4
349.14517	7.4
367.15323	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73431	2.0
53.03941	2.9
53.96548	2.5
57.03444	3.1
61.02930	3.9
61.76827	1.7
67.05511	5.5
69.03432	10.7
69.07095	3.0
71.04997	9.6
79.05478	14.3
81.03431	4.0
81.06582	4.0
81.07059	77.6
82.07301	2.1
83.04998	2.9
85.02910	50.8
85.03432	2.5
86.03229	2.2
91.03970	3.8
95.08591	11.4
97.02909	12.7
99.04488	4.0
105.07037	2.9
107.08611	10.5
109.02894	3.5
109.06507	2.9
109.10162	40.8
117.25060	1.9
119.88665	2.2
123.08051	2.8
123.11732	15.2
127.03941	14.9
133.10155	5.0
137.06061	2.4
139.11142	3.1
145.04965	17.5
147.04437	2.6
151.07550	3.8
151.11188	17.7
163.06001	5.0
167.10698	2.1
169.08638	2.4
169.12248	100.0
170.12610	4.5
187.09663	4.4
187.13367	3.4
204.03581	2.7
229.27522	2.9
331.17441	9.7
349.14255	2.3
367.13596	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02416	2.6
55.05497	2.6
56.06758	3.0
57.03459	3.2
67.05516	8.8
69.07066	37.5
70.47124	3.8
70.47478	6.2
71.04980	6.8
81.07043	13.3
89.03886	2.9
91.05478	5.5
93.07049	3.2
95.08613	8.6
102.11077	2.9
105.07031	6.0
107.08604	12.0
109.06509	4.9
109.10152	100.0
113.06056	3.4
113.09634	3.4
119.08595	4.7
121.06533	3.0
121.10146	3.2
122.03669	5.2
123.11729	17.3
127.11179	19.6
128.06177	3.6
131.08566	3.6
133.02867	28.9
133.10138	6.2
137.05968	24.3
141.11504	3.0
149.06088	2.9
151.11203	13.7
153.44566	3.2
159.08017	6.6
169.12228	26.0
173.09720	3.1
176.03596	2.8
187.07610	4.3
187.13289	13.7
199.07442	4.6
213.09094	5.4
243.10274	4.6
245.64198	3.0
317.11880	3.9
349.14267	5.5
367.11411	3.7
367.15451	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.01864	4.0
55.05500	4.4
57.03440	4.5
59.04990	4.3
60.04528	8.4
67.05504	13.8
68.48982	2.8
68.78141	2.6
69.03432	5.4
69.07065	8.6
69.29213	2.4
70.98801	4.1
71.05000	17.6
79.05486	11.5
81.03412	4.8
81.07059	48.4
83.04983	5.9
85.02909	18.4
91.05477	6.9
93.07039	18.4
95.04968	4.3
95.08607	8.8
97.02900	6.7
97.06506	4.6
100.54292	2.4
105.07056	10.7
107.08597	47.7
109.06551	5.8
109.10146	15.9
121.10184	2.9
123.11697	25.9
127.11193	4.1
130.06544	2.8
131.08656	3.5
133.10121	21.6
138.54012	3.1
139.03868	3.5
151.11183	54.6
162.35796	2.4
169.08672	2.7
169.12250	100.0
175.03920	2.4
187.09737	3.7
187.13503	3.1
205.08557	2.7
299.62866	2.5
325.45831	2.9
331.17221	3.4
348.27432	3.8
366.10089	3.1
366.28400	5.5
367.13531	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.7
57.03428	5.2
61.90045	5.8
67.05500	6.7
69.03415	11.1
71.04971	7.5
71.29188	8.3
79.05501	12.4
81.07040	41.8
83.04980	24.8
85.02904	19.5
91.05485	16.2
93.07043	33.3
95.04960	9.3
95.08634	6.3
97.02897	5.9
104.87598	5.6
105.07033	17.8
107.08596	100.0
108.08913	7.1
109.10171	16.6
111.08069	10.0
113.72271	5.6
117.04491	5.2
121.10131	7.5
123.11716	36.0
132.93561	6.3
133.10138	36.5
139.88957	5.4
147.09128	10.1
151.11189	60.0
169.12216	9.7
188.67961	6.7
281.14981	17.0
366.12357	40.1
367.13330	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	7.8
67.78395	7.2
69.53310	11.1
69.53710	29.5
71.05016	13.6
79.05508	18.2
81.07067	74.4
85.02917	19.2
93.07061	23.0
94.07384	7.9
95.08636	12.2
98.22620	15.0
98.99416	7.7
99.04446	9.7
107.08599	31.7
109.10193	19.4
120.08072	8.5
123.11704	29.6
125.09641	8.2
147.09207	31.5
151.11214	27.4
169.08583	11.9
169.12251	68.7
187.09706	10.1
197.72336	7.5
200.07082	11.7
229.09776	16.7
271.10776	32.7
281.15045	23.0
299.10236	16.1
317.11209	9.6
335.12250	10.9
350.13779	15.0
367.13553	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1
Annotation	Unknow
Peak:m/z	Relative Intensity
63.01437	1.8
69.06602	2.0
70.03954	4.4
70.04332	4.6
72.74184	1.9
84.07003	2.2
124.30933	2.3
147.60968	2.2
171.50598	2.4
229.79219	2.5
367.10028	100.0
368.10349	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
61.67731	0.6
83.37089	0.6
87.23486	0.5
115.60107	0.6
138.64084	0.5
146.06000	0.8
203.05261	100.0
204.05617	2.2
206.04419	1.2
208.20691	0.6
244.07896	0.7
367.09991	32.0
368.10193	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1175
Annotation	Candidusin C
Peak:m/z	Relative Intensity
52.65011	0.6
55.01866	0.7
55.05484	2.5
56.62580	0.6
58.89580	0.5
67.05498	3.5
69.04714	5.2
69.07045	1.7
69.41937	0.6
72.69460	0.5
78.09496	0.6
79.05471	1.9
81.07063	4.5
83.04959	2.2
83.08612	0.9
91.05464	2.3
93.07047	4.0
93.60210	0.6
95.04986	0.9
95.08604	7.0
95.31474	0.5
97.06535	0.7
97.10161	0.8
105.07027	5.8
107.08629	3.5
109.10133	1.5
111.04404	1.1
111.08034	0.7
113.05991	0.6
115.05460	0.6
117.07002	1.4
119.08572	4.8
121.06470	0.8
121.10179	2.7
123.08070	1.0
123.11702	0.8
128.06206	0.9
129.06992	1.7
131.08537	2.4
133.10136	3.8
135.11630	1.2
137.13208	0.6
139.07484	1.0
141.07091	1.0
142.07774	1.4
143.08537	4.3
144.72260	0.6
145.10124	5.1
147.08034	0.6
147.11694	2.8
152.06216	0.7
153.07033	0.6
155.08600	1.3
156.09340	1.4
157.10129	7.8
159.11679	3.6
161.09618	1.7
161.13248	2.3
165.06955	2.7
166.07782	0.8
167.07018	0.6
167.08514	1.3
168.09218	0.7
169.10112	2.6
170.10907	0.9
171.11710	5.3
171.61444	0.7
173.09683	0.6
173.13272	5.1
174.59734	0.7
175.14854	0.8
177.06973	1.3
178.07713	4.1
179.08479	2.3
181.06439	2.3
181.10027	0.7
182.07144	0.8
183.08005	1.4
183.11661	2.7
184.12512	0.6
185.13268	3.8
187.11307	0.7
187.14790	2.0
189.06981	1.7
189.16292	1.8
190.07739	1.5
191.08513	1.8
192.05699	1.1
192.09241	0.9
193.06488	1.4
193.10126	0.9
194.07268	2.3
195.08044	2.6
197.13278	1.9
199.14850	2.6
202.07858	0.8
203.08548	0.7
205.06528	4.3
206.07265	3.9
207.08047	4.7
208.05109	0.7
208.08798	1.9
209.06024	3.2
209.09572	1.4
209.13145	0.8
210.06721	1.9
211.07503	2.7
211.14783	2.1
212.15463	0.7
213.05466	1.1
213.16377	1.8
217.06657	0.6
218.07300	1.8
219.08005	2.4
219.13695	0.6
220.05247	1.2
220.08823	1.9
221.05981	4.7
221.09456	1.4
222.06805	3.3
222.10405	1.0
223.07538	4.8
224.04695	1.2
224.08290	2.8
225.05420	1.3
225.08945	1.2
225.16408	1.9
226.06174	1.0
226.17082	0.8
227.14326	0.7
227.17921	13.0
233.06000	3.1
233.09676	0.6
234.06750	6.8
235.07555	8.8
236.04704	0.8
236.08260	5.3
237.05463	12.7
237.09048	2.8
238.06126	3.7
238.09837	1.1
239.06978	5.0
239.10654	1.4
239.17976	0.9
240.04216	0.8
241.19408	0.7
245.06168	0.8
247.07492	3.1
248.04648	1.3
248.08299	2.3
249.05473	5.0
249.09171	5.3
250.06168	5.0
250.09898	1.9
251.07005	12.2
251.10699	1.6
252.04103	1.2
252.07765	8.6
253.05377	0.8
253.08597	4.8
253.12271	1.1
253.19511	1.7
254.05772	1.0
254.09276	1.1
255.06535	1.3
261.05359	1.3
262.06216	3.4
263.07040	10.3
263.09995	0.9
264.04871	1.1
264.07791	12.6
265.04959	7.5
265.08533	6.5
266.05728	5.9
266.09332	5.4
267.06519	8.8
267.10025	3.5
268.07159	1.6
268.10471	0.8
268.21869	1.9
269.08069	0.9
275.06985	2.8
276.07883	3.8
277.05029	2.7
277.08560	5.1
278.05740	5.5
278.09323	5.8
279.06497	15.1
279.10089	3.3
280.03687	2.2
280.07242	8.5
281.04816	1.0
281.08060	8.4
281.11713	3.1
282.08804	8.7
283.06137	1.0
283.09171	0.9
288.07550	0.8
291.06537	10.3
291.09967	1.6
292.07269	14.1
293.04709	1.3
293.08054	20.4
294.05209	14.2
294.08801	18.7
295.05991	29.0
295.09616	19.6
296.06540	2.5
296.10266	4.8
297.08069	0.7
297.11237	2.9
303.06509	1.4
304.07346	1.2
305.04901	0.7
305.07990	3.5
306.05383	0.9
306.08755	4.6
307.06006	3.0
307.09561	17.7
308.06726	1.4
308.10284	4.2
309.07550	43.1
309.11209	12.4
310.08295	29.9
311.05542	0.8
311.08783	2.7
311.12323	1.1
317.08148	0.9
319.05984	4.4
319.09433	1.1
320.06653	2.3
321.07590	9.4
322.04507	1.5
322.08182	2.0
323.05530	1.0
323.09091	3.5
324.06793	0.5
324.09879	28.6
325.10669	100.0
326.07782	0.9
326.11066	7.3
334.08304	1.4
335.09100	12.5
336.09872	17.1
337.07010	24.9
337.10721	13.5
338.07477	2.5
338.11057	0.7
339.08649	1.3
339.12247	23.4
340.12531	1.9
349.10651	2.2
351.08469	1.0
352.09396	30.1
353.09872	3.0
367.11734	79.3
367.26358	19.0
368.12210	8.9
368.26544	1.5
380.45117	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1541
Annotation	3,4-Dimethoxylonchocarpin
Peak:m/z	Relative Intensity
52.94336	0.9
55.01869	1.2
55.05509	1.2
59.93688	0.9
61.74187	1.0
62.30971	0.9
65.03941	1.1
65.61835	1.0
67.05502	1.6
69.03417	2.5
69.21143	1.1
69.33512	6.3
78.04765	0.9
79.05476	2.4
81.07063	1.1
91.05477	12.5
93.07030	1.4
95.04965	1.4
101.47392	1.0
103.05475	4.1
105.03350	1.3
105.07033	5.8
107.04929	2.6
109.06499	1.3
111.04394	1.9
115.05449	18.3
116.06266	1.5
117.03444	1.0
117.07026	8.1
118.04166	2.0
119.04990	1.9
119.08607	1.7
121.06502	4.3
122.03623	1.7
124.43148	0.9
125.06011	1.0
125.33825	0.9
128.06227	3.7
129.06996	4.4
131.04939	6.0
131.08577	2.8
132.05684	2.9
133.02852	8.3
133.06477	2.9
135.08057	2.7
137.05971	15.6
141.06966	2.6
143.04929	12.8
144.05684	2.4
145.06468	10.4
146.03616	2.0
147.04442	1.8
147.08049	5.3
149.05959	6.0
151.07538	5.2
153.06990	1.9
155.04945	3.1
157.06531	2.3
158.07286	1.6
159.04413	1.9
159.08043	4.4
160.05180	10.1
161.05974	31.3
161.09618	3.2
162.06689	1.7
163.07506	7.0
169.06503	1.9
172.05194	1.4
173.05853	2.1
174.06769	5.7
175.07542	100.0
176.06442	1.1
176.07924	5.0
177.09102	2.4
178.07759	3.3
179.08582	1.6
181.06458	1.7
185.05913	5.6
185.09595	1.3
187.07550	10.6
188.08315	2.2
189.05519	2.3
189.07101	2.4
189.09068	5.3
190.07797	3.3
191.08478	4.6
192.04173	1.7
192.09311	2.1
193.10072	1.8
194.07283	2.3
195.08115	1.6
198.06747	2.4
199.07596	5.5
199.18166	1.1
200.08380	1.2
201.09055	3.4
202.07776	6.7
203.08559	7.4
204.09267	2.4
205.06468	5.4
205.08539	2.4
205.10239	1.6
206.07263	2.3
207.08078	2.9
209.09555	2.5
211.07578	3.6
213.09111	9.4
215.08572	2.9
216.09268	1.6
217.06516	1.7
217.10120	3.1
218.07332	4.3
219.08052	9.1
219.10191	8.8
220.08804	7.6
221.06081	1.2
221.09531	5.0
222.06837	2.0
223.07487	1.3
224.08377	1.2
225.09262	1.7
228.09276	1.1
229.10205	2.0
230.07126	1.3
231.07996	10.9
232.08759	8.7
233.05931	2.3
233.09564	6.3
234.06793	5.7
234.10310	1.8
235.07532	7.2
235.11165	4.4
236.08199	2.3
237.09081	5.6
243.07947	2.3
245.05997	1.4
245.09634	7.1
246.06773	2.7
246.10371	4.2
247.07512	12.2
247.11176	2.4
248.08330	16.6
249.09103	12.6
250.06224	6.4
250.09735	3.4
251.06842	2.4
251.10693	1.4
257.09637	5.5
258.06793	1.8
258.10370	3.5
259.07541	16.6
260.08197	7.8
261.06586	1.5
261.09079	8.8
262.06094	2.7
262.09882	7.6
263.07056	6.3
263.10663	27.0
264.07785	3.3
264.11276	3.4
265.08609	20.3
266.09137	2.1
271.07584	1.2
272.08432	2.4
273.09103	7.2
274.06995	1.1
274.09875	7.3
275.07010	8.0
275.10626	10.3
276.07803	13.2
276.10898	1.9
277.08578	14.2
277.12219	6.9
278.05734	4.1
278.09302	4.9
279.06805	1.8
279.10162	8.3
280.11044	7.1
281.11511	2.3
285.09100	4.0
286.09711	2.1
287.06860	1.6
289.08658	5.2
289.12256	12.9
290.09329	7.8
290.12546	2.1
291.06946	1.7
291.10132	37.5
292.07413	2.3
292.10815	9.3
293.04742	2.2
293.08102	40.7
293.11597	4.8
294.08521	3.4
295.10077	1.3
295.13190	4.8
302.09314	4.1
303.10254	8.0
304.10834	3.2
305.08124	2.4
305.11624	18.8
306.08850	10.7
306.12457	5.7
307.09528	8.6
307.13303	3.8
308.10422	41.4
308.13467	1.5
309.11053	5.8
317.11655	19.3
318.12497	7.4
319.09613	6.9
319.13007	1.8
320.10223	2.8
321.11166	9.4
321.14755	2.4
322.11905	4.0
323.12750	58.4
324.13138	5.0
325.14359	2.0
334.11920	7.4
335.12732	11.3
336.13440	5.5
337.10910	2.1
337.14328	49.4
338.14645	4.0
349.14349	19.5
350.14886	2.4
352.12982	3.5
367.15390	75.7
367.27805	1.8
368.15781	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
51.30054	0.5
53.03954	1.2
54.97444	0.5
55.01880	1.8
55.05513	5.7
57.03438	0.8
65.03948	0.9
67.05505	11.9
68.05842	0.5
69.03435	3.2
69.07064	4.5
71.04995	1.5
71.30676	0.9
79.05486	6.1
81.03436	0.7
81.07054	8.2
83.04977	6.4
83.08633	1.8
85.06559	1.4
91.05473	10.3
93.07040	12.3
94.07408	0.5
95.04967	4.0
95.08602	21.5
97.06557	2.3
99.04475	0.8
103.05482	0.9
105.07024	13.0
107.04945	3.6
107.08589	10.0
107.09263	0.7
109.06513	2.7
109.10143	4.4
111.04421	3.0
111.08076	3.0
113.05978	1.0
115.05481	1.9
117.07023	7.3
119.08579	11.7
120.08907	0.7
121.06492	7.1
121.10151	4.9
123.08065	6.9
123.11693	0.6
125.05974	0.6
125.09653	1.0
128.06195	7.7
129.06990	9.4
129.07863	0.6
130.07794	2.4
131.08562	10.0
131.09491	0.7
132.05707	0.6
133.06485	1.4
133.10132	6.7
135.08063	3.1
135.11659	2.9
137.05969	0.9
137.09674	1.0
139.07585	1.3
141.06972	4.0
141.09119	0.8
142.07784	4.2
143.08554	27.9
144.05751	1.5
144.09161	0.8
145.06493	5.7
145.10120	13.2
146.07227	1.3
147.08051	4.8
147.11670	3.7
149.09685	2.2
149.13235	0.7
152.06209	0.8
153.07077	2.2
154.07816	1.8
155.06065	0.7
155.08559	8.4
156.09369	3.2
157.06490	3.6
157.10129	16.0
157.11436	0.8
158.07285	3.5
158.10683	0.9
159.08047	11.7
159.11668	6.8
160.08862	1.3
161.09644	8.1
161.13303	1.6
163.11200	2.7
165.06963	2.6
166.07845	1.0
167.08549	3.4
168.09380	2.3
169.10127	11.2
169.11493	0.7
170.07277	1.2
170.10851	1.5
171.08051	19.4
171.09424	1.2
171.11673	6.8
172.08765	3.4
172.12302	0.6
173.09622	14.7
173.13260	2.6
175.11182	4.1
175.72713	0.6
179.08565	5.0
180.09393	1.9
181.06551	0.7
181.10135	5.5
182.10962	1.8
183.08107	1.3
183.11687	6.9
184.08997	0.6
184.12463	1.5
185.09612	6.6
185.13237	5.9
186.10509	1.0
187.11174	7.8
187.14853	0.9
188.11659	0.6
189.12762	3.1
191.08621	1.1
192.09488	1.2
193.10114	3.2
194.10907	3.2
195.08090	1.6
195.11656	4.3
196.08824	1.0
196.12408	1.5
197.09499	2.8
197.13255	4.5
198.10522	0.9
199.11172	5.4
199.14796	5.1
201.12878	1.6
204.09346	0.8
205.10185	1.3
205.12276	0.5
206.10986	1.1
207.11725	3.8
208.08936	0.7
208.12552	1.2
209.09673	0.8
209.13242	11.7
210.10463	0.7
210.13918	1.2
211.11177	4.1
211.14760	3.5
211.82352	0.7
212.11880	1.2
213.12709	3.2
216.09290	0.6
217.10211	1.2
219.11716	1.6
220.12482	1.0
221.09685	0.6
221.13254	2.8
223.07820	1.1
223.11244	1.9
223.14940	2.4
225.12720	5.6
225.16280	2.5
226.13568	2.0
227.14297	26.6
228.09325	0.6
228.14897	2.0
229.15987	2.0
230.10886	0.9
231.11736	1.1
233.13295	1.7
234.06714	0.6
234.10519	0.6
235.07681	0.8
235.14793	2.6
237.12810	1.0
237.16388	1.3
239.14322	2.7
241.10255	0.9
241.16031	0.8
243.11885	1.1
245.13339	1.6
246.14085	0.7
247.11275	0.9
247.14903	1.1
249.16472	0.9
251.07014	1.1
251.14410	2.2
251.18173	0.9
253.10286	1.4
253.15819	7.8
254.11163	1.1
254.16432	0.8
255.17630	1.0
257.09753	0.6
257.13303	0.6
259.11218	0.8
259.14932	0.8
261.16461	0.9
263.14288	1.0
263.18066	0.6
264.07751	0.5
264.78195	0.5
265.05225	0.5
265.08102	0.6
265.15955	1.1
266.10941	1.1
267.11829	1.9
267.17654	1.5
268.12396	1.2
268.18274	1.6
269.09857	0.5
269.13254	1.6
271.11252	1.0
271.14868	0.8
273.13181	0.6
273.16519	0.8
275.14288	0.6
277.16064	0.6
277.19485	0.6
279.03726	0.5
279.06577	1.0
279.11710	0.7
279.17599	0.9
279.21179	0.6
280.12436	1.6
281.13144	3.1
282.14169	0.8
283.11438	1.2
283.14972	2.0
285.16772	0.6
290.10992	0.6
291.06534	0.9
291.17480	1.4
293.08127	1.3
293.13120	1.2
293.16058	0.6
293.18890	0.7
294.05411	1.2
294.08701	1.0
294.14084	1.8
295.06003	1.4
295.11200	2.2
295.14929	4.3
296.11996	1.5
296.15457	1.1
297.09186	0.6
297.12823	1.5
297.16507	1.9
303.21112	1.1
305.13391	1.3
306.14044	0.7
307.10010	0.6
307.14581	1.2
307.20648	0.9
308.12131	1.0
308.15579	1.4
309.07687	2.1
309.12738	2.8
309.16528	2.3
310.08490	1.7
310.13599	1.4
310.17288	1.6
311.14410	1.6
311.18094	2.0
312.18317	0.6
319.11325	1.1
319.14883	0.8
321.22092	7.4
321.25552	0.6
322.13538	1.3
322.17093	0.6
323.10913	0.8
323.14389	2.7
323.18161	2.2
324.10049	1.2
324.15027	2.2
324.18835	2.2
325.10614	4.2
325.15948	2.2
325.19669	2.1
331.20456	2.6
334.13519	0.6
334.17230	0.9
335.17902	0.7
336.09915	0.7
337.07166	1.7
337.12170	2.4
337.16013	4.0
337.19653	1.7
338.13129	0.8
338.16745	1.8
338.20459	1.1
339.12506	2.1
339.17548	2.4
349.15628	1.1
349.21698	20.3
350.22070	2.1
352.09592	2.3
352.14542	1.7
352.18192	4.2
352.21872	1.2
353.15247	0.8
353.19070	0.9
367.12003	4.9
367.16974	6.7
367.22885	100.0
368.17508	1.1
368.23318	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2455
Annotation	2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate
Peak:m/z	Relative Intensity
50.52818	1.2
55.05502	1.9
56.13084	1.5
58.33890	1.3
67.05505	3.4
71.31450	1.8
71.31825	1.6
79.05502	2.2
81.07037	3.4
81.69791	1.2
83.04987	1.3
87.02882	1.1
91.05494	2.9
93.07027	2.9
94.97405	1.1
95.04960	2.0
95.08601	3.5
98.97556	1.9
105.07014	2.9
107.04897	2.0
107.08598	3.6
109.10139	1.6
111.04440	1.7
119.08593	2.7
121.06552	1.7
123.11677	1.2
131.08546	1.3
133.10097	1.9
143.08502	1.4
147.11711	1.8
151.03889	1.5
196.84286	1.2
275.19968	2.1
293.21167	2.1
322.81961	1.4
367.11829	4.1
367.24585	100.0
368.24817	7.7
385.09973	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	1.3
53.04111	0.9
55.01784	3.4
55.05424	9.1
55.05720	1.9
57.03345	5.5
57.03650	1.1
57.06995	1.8
65.03880	1.4
67.05409	21.3
67.05809	3.2
69.02988	6.3
69.03356	1.2
69.06971	14.8
69.07393	2.0
71.04887	2.1
79.05391	20.1
79.05895	2.2
80.05756	0.7
81.06954	27.3
81.07484	2.4
82.07301	1.0
83.04882	6.8
83.05416	0.9
83.08523	4.5
83.72615	0.6
85.06460	1.4
91.05374	22.6
91.06001	1.8
92.05674	0.9
93.06938	28.3
93.07576	1.8
94.07297	0.7
95.04858	7.4
95.08498	17.6
97.06526	4.4
97.10107	1.1
103.05380	0.9
105.07031	23.9
105.07670	1.1
106.07309	0.8
107.04959	7.5
107.08597	17.7
108.08802	0.6
109.06512	9.5
109.10152	7.4
110.06786	0.6
111.07962	2.7
115.05392	1.1
117.07014	9.2
119.08576	15.6
121.06498	9.1
121.10132	9.3
123.08068	5.3
123.11597	2.4
124.33306	0.6
125.09550	1.6
128.06110	0.8
128.29428	0.6
129.06999	3.1
131.08572	20.2
131.09476	1.1
132.08806	0.9
133.06390	2.6
133.10139	17.1
133.11070	0.8
134.10339	0.8
135.08047	6.2
135.11713	5.8
137.05858	1.2
137.09520	2.6
139.07430	0.6
141.06909	1.1
142.07619	0.9
143.08548	3.4
145.06386	1.8
145.10115	14.6
146.33586	0.6
147.08022	3.0
147.11682	13.0
149.09621	7.2
149.13272	3.7
151.11192	4.8
155.08440	2.4
157.10100	4.1
159.08081	3.2
159.11697	8.8
161.09592	4.0
161.13150	2.6
163.11176	6.8
163.14711	0.6
165.09038	0.7
165.12694	1.2
165.57426	0.6
169.10025	2.4
171.11623	3.2
173.09528	2.5
173.13274	6.5
175.11206	3.6
177.12665	2.7
179.14174	0.8
183.11588	2.5
185.13184	1.3
187.11169	2.9
187.14703	1.4
189.12683	1.1
189.16443	0.8
191.14226	2.7
195.11871	0.7
197.13196	1.6
201.12685	3.4
203.14333	0.7
205.19493	0.7
207.13785	3.0
211.14766	0.9
215.14285	1.7
215.17937	2.4
219.13818	3.7
229.19489	2.8
231.17389	1.5
233.19006	1.3
239.18008	3.8
247.20662	3.5
257.19022	13.8
258.19257	1.0
275.20056	100.0
276.20401	8.0
279.06378	0.9
293.21088	9.7
295.06207	1.1
309.07620	1.5
310.08258	1.7
349.23749	35.0
350.24188	2.5
367.11832	1.6
367.24857	20.8
368.25302	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.01878	4.3
55.05510	21.3
56.96573	1.1
57.03432	6.7
57.07063	1.7
59.04996	0.9
59.96909	0.8
65.03940	1.1
67.05501	17.7
69.03419	1.9
69.07065	23.5
70.91945	0.7
71.08633	29.2
73.26026	0.9
79.05492	14.7
80.05795	0.8
81.03410	2.1
81.07052	15.6
83.04976	3.2
83.08607	6.7
91.01180	0.9
91.05486	7.3
93.07031	9.2
95.04959	3.6
95.08611	6.7
97.06525	2.3
97.10163	9.5
99.08089	20.5
105.07020	5.1
107.04955	2.2
107.08602	7.3
109.06496	2.4
109.10149	6.4
109.17543	0.7
111.04467	1.2
111.08109	1.6
111.11713	1.5
117.07015	2.8
119.08585	2.8
121.06516	2.7
121.10147	4.5
123.08063	1.7
123.11710	1.5
125.09634	5.3
128.97623	0.9
129.06995	1.3
131.08560	3.1
133.10147	4.2
135.08043	2.4
135.11673	2.6
137.09619	1.1
139.11169	2.4
145.10054	1.6
147.11681	1.4
149.13271	1.8
151.11116	1.9
153.09062	0.8
155.08527	0.8
157.10085	2.0
159.11647	0.9
161.13341	1.0
163.11185	1.2
164.11876	1.6
165.05106	0.8
165.12788	1.7
167.10632	3.4
169.10103	1.0
171.11653	0.9
173.13219	1.0
176.81801	0.8
176.89148	0.8
177.12799	2.7
187.11147	1.1
189.11238	4.4
191.14395	0.9
193.12120	0.8
195.13774	1.8
228.71431	0.8
247.20467	0.9
275.20041	8.8
277.08371	1.2
278.09012	1.0
291.10056	0.9
293.21097	100.0
294.21497	7.5
295.06113	1.5
305.08011	1.2
307.09579	1.3
308.14099	1.1
310.08405	1.3
321.11044	1.9
325.10614	2.5
334.80154	0.9
335.09033	1.0
335.12683	1.3
336.13278	1.2
353.10046	3.2
367.11612	3.2
367.15256	2.8
367.24905	21.5
368.12518	5.5
368.16382	1.1
368.25128	2.6
368.31180	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.1
55.01855	4.4
55.05514	20.7
57.03422	5.4
57.07072	7.2
60.08161	4.7
63.43822	3.1
65.03930	3.9
67.05503	36.6
69.03429	10.5
69.07066	28.2
71.04995	7.8
75.27403	3.5
76.51852	3.3
79.05488	28.8
81.07060	45.2
83.04983	7.4
83.08601	8.2
87.02442	3.1
91.05479	51.3
93.07043	90.7
95.04944	19.1
95.08607	51.3
97.06530	10.9
97.07219	3.1
98.22999	22.2
103.05470	3.7
105.07032	76.8
107.08596	43.0
109.06503	19.7
109.10157	21.3
110.37302	3.0
111.08051	10.2
117.07014	14.3
119.08578	49.5
120.09329	5.7
121.06515	12.2
121.10136	37.4
123.08080	16.8
123.11712	13.5
128.06209	6.2
129.06992	13.2
131.08556	21.5
133.06476	5.3
133.10121	33.4
135.08043	57.9
135.11714	8.7
137.09589	4.3
141.07007	4.8
142.07780	18.8
143.08557	20.5
144.09340	4.0
145.06424	4.0
145.10130	34.8
147.08034	9.0
147.11687	26.2
149.09599	23.7
149.13266	5.8
155.08572	7.1
156.09384	7.8
156.26172	3.9
157.10101	38.0
159.11682	18.0
160.08836	3.6
161.09651	25.5
161.13304	9.4
163.11197	8.9
163.14799	9.8
165.12752	3.7
169.10110	4.8
170.10912	6.1
171.11713	8.2
173.09622	8.9
173.13278	5.7
175.11131	15.6
175.14801	11.5
177.16370	4.3
183.11702	4.9
185.13257	17.8
191.14346	28.9
193.15907	5.5
197.13098	4.1
199.11237	4.9
199.14882	6.6
203.14351	23.1
205.15894	100.0
209.13220	4.0
213.12772	6.5
217.15851	8.3
218.16650	7.6
227.14291	7.6
227.17868	6.7
244.25108	3.9
255.17300	3.4
270.19687	3.8
271.20483	8.5
275.20114	5.3
283.20752	9.0
287.20056	7.7
349.25217	7.2
354.43655	3.7
367.11572	6.7
367.22684	8.1
367.26468	52.6
368.26932	3.9
368.42529	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
55.05504	12.6
57.07071	4.4
59.04998	2.2
65.03938	2.8
67.05505	20.4
69.03420	4.7
69.07062	13.9
69.54452	7.4
71.04999	2.0
79.05490	17.2
79.61376	1.9
81.07055	27.5
83.04977	4.3
83.08606	6.0
85.06532	3.7
86.29456	1.6
88.07611	2.8
91.05473	28.3
91.06006	2.3
92.05807	2.0
93.07042	38.6
93.07629	2.5
95.04961	17.3
95.08607	27.8
97.06535	7.0
103.05459	1.9
105.07025	45.2
106.08660	5.9
107.04929	1.8
107.08591	31.5
109.06522	8.2
109.10147	24.1
111.08071	3.2
115.05383	1.8
117.07018	11.0
119.08584	43.8
121.06503	6.4
121.10147	25.2
123.08105	3.2
123.11694	6.6
128.06221	4.9
129.07007	9.6
130.07790	4.8
131.08560	30.0
131.09488	2.3
133.10126	26.8
135.08058	7.2
135.11732	9.2
137.09610	2.4
141.07034	2.4
142.07780	12.0
143.08563	20.6
144.09308	5.2
145.10115	30.3
146.07286	2.0
147.08067	4.7
147.11710	8.9
149.09627	7.6
155.08582	8.0
156.09366	7.9
157.10126	24.5
158.10860	5.1
159.08041	3.5
159.11664	16.0
161.09598	17.6
161.13220	4.5
163.11243	2.5
163.15936	1.8
165.07037	1.7
167.08536	3.5
168.09297	3.3
169.10109	8.4
170.10941	3.2
171.11676	13.2
173.09583	4.4
173.13232	13.1
175.11305	3.9
175.14825	8.9
179.08580	4.2
180.09196	2.2
181.10139	6.4
182.10818	2.6
183.11696	11.6
185.09633	2.0
185.13269	6.9
187.14799	5.1
193.10101	3.7
194.10951	6.2
195.11725	6.1
196.12469	3.7
197.13266	9.6
199.14911	4.1
201.12761	3.0
201.16380	3.1
207.11540	2.5
209.13277	9.8
211.14839	4.4
213.16261	2.7
215.14351	2.5
218.07172	1.9
219.07916	2.8
220.08469	1.9
221.13300	2.5
223.14713	1.7
225.16583	3.0
227.14305	5.4
233.09349	2.1
234.06711	2.7
234.09821	2.2
235.07204	2.1
235.10808	2.6
237.16554	2.1
239.18037	2.9
241.37180	1.7
248.07993	3.5
249.09189	2.6
250.09468	6.5
251.18024	2.0
262.09634	5.9
263.07382	3.2
263.10410	9.1
264.07620	2.8
264.10916	1.7
266.09064	2.2
266.12488	2.6
269.18863	2.0
275.07162	1.9
275.17651	2.2
276.07776	2.4
276.10959	2.6
277.08582	4.5
278.06036	2.1
278.09082	8.5
278.12729	5.5
279.06946	2.3
279.09979	7.1
290.08975	4.2
291.09872	3.5
292.07166	3.2
292.10339	3.4
293.08167	3.1
293.11444	10.0
294.09058	2.3
294.12070	7.8
295.09576	3.4
295.12735	2.5
305.11420	2.9
306.08469	5.9
306.11969	4.0
307.09567	3.4
308.10184	2.7
308.13751	3.7
309.11060	3.8
309.14471	4.3
320.10074	2.7
321.10873	17.3
322.11383	9.3
335.09177	2.5
335.12753	5.0
336.13104	100.0
337.13757	12.6
348.30276	2.0
349.25217	3.5
352.12668	11.4
353.10233	6.1
367.10782	4.3
367.15054	55.9
367.26434	8.5
368.12033	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.3
55.01860	0.4
55.05519	0.3
55.64697	0.3
57.03442	0.7
59.05005	0.3
61.02921	1.2
69.03432	3.2
69.55383	1.5
71.04997	0.3
73.02940	0.3
81.03413	1.1
83.01373	0.3
83.04974	0.9
85.02910	6.9
87.04481	0.4
89.03943	0.5
95.04961	0.3
97.02892	2.2
99.04433	0.4
109.02883	0.6
111.04438	0.8
113.06001	0.4
116.98630	0.3
117.03378	1.0
119.08553	0.4
122.32033	0.3
125.05993	0.6
127.03925	1.4
129.05473	0.4
132.04468	9.0
133.04898	0.3
137.05997	0.5
139.03909	0.7
145.02856	1.6
145.04982	1.2
153.05450	0.5
157.05037	0.3
160.03903	0.6
163.04025	0.3
171.06541	1.3
171.10167	0.4
175.08752	0.3
177.05527	3.2
178.05006	72.0
179.05342	3.1
188.07076	0.5
189.07469	0.6
203.05307	1.1
204.05647	0.6
206.04504	100.0
207.04831	4.8
207.13782	0.6
217.09804	0.4
267.26813	0.3
368.10031	0.9
369.11438	1.3
369.16101	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98217	0.7
55.05500	3.1
60.83072	0.7
69.03423	10.2
69.31517	5.1
79.05472	0.7
81.03424	1.1
81.59012	0.7
83.04977	6.4
85.02900	5.8
93.03425	0.8
93.07067	0.8
95.04963	0.7
97.02883	1.7
105.07029	1.4
107.04960	1.1
111.04438	37.4
117.03370	2.1
124.08739	0.7
129.05476	100.0
130.05792	2.9
135.04404	2.7
145.02831	4.1
145.04929	1.1
149.05960	1.7
153.05455	1.4
153.41817	0.8
163.03938	0.9
171.06523	11.1
177.05455	7.0
180.08630	1.1
188.07082	2.9
189.07573	35.9
206.08113	3.7
206.10095	1.5
369.11340	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80479	1.0
55.29737	1.1
59.05014	1.0
61.02922	1.4
69.03429	35.7
69.16000	8.4
73.02901	1.4
81.03429	2.2
83.04968	2.5
85.02896	14.0
85.03364	1.3
87.04501	1.5
91.05492	1.5
95.04978	2.1
97.02895	3.1
97.06628	1.1
98.22491	1.4
101.06015	97.6
102.06367	3.5
107.08598	1.5
107.27259	1.1
111.04433	22.2
115.03935	1.1
117.03363	2.2
119.08565	1.3
123.04414	1.6
127.03931	2.0
129.05499	3.5
140.04677	1.6
143.07031	100.0
144.07375	3.5
145.02849	4.1
145.04991	3.0
153.05482	1.5
153.09084	1.6
155.07033	3.3
164.07059	1.4
165.04842	3.0
167.07025	7.1
171.06569	7.5
171.10374	1.1
177.05458	8.4
179.07100	1.1
188.07069	2.1
189.07597	17.5
189.09190	1.6
194.09384	6.2
203.05037	1.1
206.07887	51.5
206.15417	6.0
207.06465	2.5
207.08228	2.1
231.73094	1.2
265.10126	1.1
368.13123	23.2
368.17389	1.9
369.15408	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16571	1.6
53.03955	1.7
69.03426	5.1
69.07072	4.6
69.28948	6.9
69.29356	3.9
75.74247	1.5
79.05495	2.7
81.03406	2.0
81.07061	1.9
85.02926	13.5
91.05474	3.5
93.07038	6.2
95.08621	5.6
97.02901	4.3
97.06531	5.9
98.61708	1.4
98.97577	1.6
105.06976	1.6
107.08607	14.5
109.10163	5.3
120.99570	1.8
127.03928	2.8
135.11711	18.6
145.04939	2.7
153.12770	24.8
157.04942	2.2
164.30310	1.6
171.13821	5.9
184.96951	1.8
206.08006	2.9
207.10008	1.8
245.09155	1.7
325.79254	1.7
368.13608	5.5
369.15247	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.2
56.57063	2.0
57.03442	4.3
61.02924	5.2
63.20135	2.1
67.05508	3.0
69.03432	13.2
69.07059	4.8
69.60345	12.6
73.02929	3.9
74.50104	2.3
79.05502	6.0
81.03396	4.5
81.07066	9.8
83.04975	2.0
85.02903	60.6
85.03427	2.9
91.03944	4.5
91.05479	5.1
93.07045	34.9
95.08607	27.0
97.02879	13.6
97.74247	2.4
98.23296	4.4
99.04460	2.7
101.01205	1.9
105.06994	3.1
107.07858	3.6
107.08592	69.7
109.02877	5.2
109.10143	4.4
115.78241	1.9
118.37218	2.0
119.08601	1.9
123.11725	3.3
127.03926	13.9
127.07569	2.1
133.10141	2.6
135.11694	100.0
136.11995	5.2
145.04958	25.1
148.04788	2.9
149.22279	2.2
153.12744	76.8
154.13103	3.1
154.29575	2.0
158.31511	2.4
163.06049	5.4
171.13843	18.2
176.79114	2.1
186.86630	2.1
213.28625	2.2
297.16891	4.2
306.84464	2.5
326.67166	2.1
329.77036	2.2
368.14215	3.8
369.15198	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.7
55.99513	5.6
61.02903	7.7
67.05502	6.1
69.03429	11.6
70.95836	10.6
81.03441	9.7
81.07064	8.7
85.02901	95.4
93.07054	41.5
95.08602	34.1
97.02892	20.9
104.53268	6.4
105.07031	8.3
105.28361	5.5
107.08583	66.0
109.02932	8.6
122.65460	6.8
127.03905	18.5
129.60767	5.9
133.10100	6.2
135.11699	90.5
137.05960	6.7
145.04953	32.5
153.12747	100.0
161.06021	7.9
163.06042	9.8
165.01894	10.0
167.07011	15.8
171.13829	25.0
205.08226	10.2
207.09837	7.0
209.75938	5.4
297.16882	7.7
298.46094	6.8
368.14481	19.7
369.15540	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37462	6.9
52.90139	6.3
55.24440	7.8
59.05000	6.7
63.78317	6.4
70.11346	24.6
85.02914	31.3
93.07049	19.0
95.08578	10.1
97.02904	10.4
97.06514	8.2
107.08585	21.4
109.10146	13.5
127.44559	6.7
131.65648	7.4
135.11699	78.1
145.04933	8.7
153.12767	100.0
163.06013	8.4
189.07599	8.9
369.15329	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.2
55.05512	10.2
57.07071	3.6
60.73505	1.2
67.05511	6.4
67.37409	1.1
67.56275	1.1
69.03434	4.1
69.07071	5.9
69.10612	9.9
69.11026	2.0
72.04519	100.0
75.04511	1.5
79.05500	9.0
81.07062	9.0
83.04986	5.4
91.05459	5.9
93.07038	15.2
95.04963	4.1
95.08624	4.6
97.02895	15.3
97.06536	3.9
97.10166	4.3
98.22643	3.2
99.08122	1.7
100.07638	3.2
101.87306	1.2
105.07040	4.7
107.08613	3.1
109.10153	2.0
111.04447	10.4
113.06037	2.2
114.09159	11.1
119.08566	4.4
121.06535	8.3
121.10159	13.6
123.04431	27.1
125.05975	3.7
128.10690	6.5
129.07059	1.4
131.08560	11.7
133.10146	1.6
137.06015	1.7
139.11127	3.2
142.12279	2.6
143.08571	1.4
147.08072	4.0
149.05962	1.7
149.09630	14.7
161.13281	4.7
167.10681	16.8
171.11731	3.6
184.16971	67.8
186.77429	1.4
189.12756	3.6
202.18027	90.9
203.18468	1.8
207.13762	2.5
222.06773	1.7
224.11807	1.3
226.06126	1.3
235.13220	3.7
237.05449	3.0
237.09026	1.8
239.03401	6.3
248.43248	1.2
249.09122	1.6
250.06360	1.4
251.03416	10.3
251.07205	1.7
251.10635	3.1
252.04269	4.1
252.07683	2.3
253.08681	2.1
253.14317	9.6
255.06496	2.6
263.07047	4.2
263.10477	1.2
264.07416	1.7
265.05017	2.2
265.08588	4.8
266.05698	7.5
267.02710	2.1
267.06470	3.7
269.08170	5.2
277.08618	1.7
278.09122	2.1
279.06610	3.8
279.10013	4.1
280.07175	5.7
280.19067	40.1
280.21957	2.7
281.08072	4.0
281.19394	2.9
282.05280	3.8
282.08304	1.8
283.05991	1.8
293.08078	2.6
293.11887	1.4
294.08633	2.7
295.06085	3.4
295.09637	11.1
295.13049	2.8
296.06589	4.7
297.07565	20.5
297.10730	1.8
307.09628	1.6
308.10236	1.7
309.11307	2.2
310.07999	3.4
311.09030	5.2
312.10049	1.6
322.08267	3.1
323.12909	3.0
325.10654	2.9
326.11285	2.8
327.08466	2.1
327.12329	1.5
337.10501	4.6
337.14346	2.8
338.07397	1.5
338.11304	2.9
339.12378	2.0
340.12723	4.2
341.13416	1.7
350.27393	1.5
353.09897	1.7
353.13702	2.8
368.12305	14.0
368.16214	2.0
368.27878	4.7
369.13153	10.0
369.17175	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59211	100.0
70.91457	19.8
98.22740	23.1
107.15475	18.7
118.85855	19.1
263.09949	16.1
298.30136	16.5
361.66818	20.0
369.10284	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0967
Annotation	Taiwanin H
Peak:m/z	Relative Intensity
55.01873	1.6
55.05501	3.1
65.03925	1.1
67.01841	1.0
67.05502	3.7
69.07064	2.2
79.05499	4.9
81.07059	4.7
83.04964	1.9
91.05473	4.5
93.07041	5.1
95.04979	1.7
95.08613	4.8
95.50873	1.0
97.06503	2.0
105.03374	2.3
105.07019	6.0
105.99596	0.9
107.08597	4.5
109.10153	2.9
115.05444	1.6
117.07043	1.5
119.04916	2.1
119.08578	5.2
121.10167	1.5
125.05964	1.6
128.06262	1.7
129.06979	2.2
131.08549	3.3
133.02834	1.6
133.10118	3.4
135.00771	1.1
135.08035	1.1
139.05449	1.2
141.06969	2.6
143.08568	2.4
145.10095	3.2
147.04343	1.1
147.11713	2.8
152.06186	9.3
153.06979	3.0
154.07774	1.2
155.08577	2.8
157.10127	3.7
159.11676	2.5
161.02333	4.0
161.09645	1.3
161.13235	1.8
163.11165	1.2
165.07040	6.6
166.07724	1.7
167.08531	10.2
168.05670	1.3
168.08955	1.1
169.06425	2.5
169.10092	3.1
171.11703	2.0
173.13257	2.1
175.11311	1.2
176.06198	1.8
177.06984	5.0
178.07806	6.3
179.08537	8.2
180.05663	1.5
181.06488	5.7
183.08002	1.7
183.11667	2.6
184.12302	1.0
185.02277	1.3
185.05952	1.2
189.01834	16.8
189.07025	2.2
189.12793	1.8
193.06563	1.4
194.07379	1.3
195.08080	20.0
195.11687	1.3
196.08488	1.1
197.06047	1.7
197.09616	2.0
198.06590	1.3
199.03949	1.8
199.07593	2.1
199.14815	1.7
203.03300	1.6
205.06479	7.9
207.04593	1.3
207.08087	9.0
207.09862	1.7
208.05269	3.0
209.06013	5.1
209.09550	1.2
209.13300	1.0
210.06776	1.6
211.07541	2.8
211.14803	2.5
212.04652	2.1
213.01949	1.8
213.05469	6.8
215.03374	1.9
217.01323	22.7
220.05144	1.2
221.05908	2.1
223.03902	3.0
223.07507	20.5
224.08070	2.0
225.01849	2.7
225.05438	3.6
225.09116	1.9
226.06136	2.2
227.03479	7.4
227.07028	16.3
227.17834	1.2
228.07741	5.3
229.01279	2.2
229.04976	3.6
229.15918	1.8
231.02805	2.5
233.05949	6.4
234.06633	1.6
235.03885	2.1
235.07468	11.7
236.04643	5.0
237.05482	7.6
237.09032	2.0
238.06187	6.8
239.03374	1.5
239.06950	7.0
240.07803	1.7
241.01271	2.1
241.04953	3.8
241.08591	2.8
243.02765	1.2
243.06519	18.4
247.02348	7.9
249.05513	9.3
250.06187	5.7
251.03442	2.7
251.07021	25.9
252.04160	8.0
252.07503	3.0
253.04974	11.6
253.08571	12.6
254.09142	1.5
255.02879	1.5
255.06516	2.7
257.04306	6.0
261.05457	4.2
262.06216	1.4
263.07010	17.5
264.07675	4.2
265.05075	8.7
265.08511	15.4
266.05743	23.0
266.08664	1.9
267.02866	2.7
267.06467	13.6
268.07071	1.9
269.00760	2.9
269.08093	2.1
270.05139	3.2
273.03897	1.3
276.04062	1.4
277.04883	1.5
278.05679	2.3
279.06561	14.8
280.07202	3.6
281.01352	1.8
281.04562	12.8
281.08032	93.4
282.05179	2.2
282.08566	8.9
285.03903	2.6
291.06485	13.4
292.06937	2.3
293.04877	1.0
293.08096	15.3
294.05292	10.2
294.08286	1.7
295.05988	12.6
295.09195	2.1
296.06729	2.3
299.01822	3.6
307.06082	2.5
308.06738	2.4
309.07559	100.0
310.08023	12.7
311.09207	2.5
313.10483	1.7
319.05997	9.8
320.06348	1.4
322.04657	1.5
323.05621	1.2
323.09140	4.3
324.10223	1.2
325.10559	2.0
327.08600	3.0
337.07059	80.0
338.07343	8.5
338.11111	1.7
341.10077	6.3
351.08636	2.5
351.19440	2.7
351.23181	2.5
368.27100	1.7
369.09583	24.9
369.13324	2.4
369.23727	5.5
369.27844	4.5
370.09882	2.5
370.32935	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0969
Annotation	Taiwanin H
Peak:m/z	Relative Intensity
50.85286	0.5
53.03984	0.6
55.01899	0.8
55.05294	0.5
55.05547	1.7
65.03974	0.7
67.05531	1.0
69.03452	0.8
69.07109	2.5
75.02459	0.7
79.05536	2.1
81.03458	1.0
81.07085	0.9
83.04996	1.1
91.05508	1.6
93.07073	1.2
95.05000	1.1
95.08643	1.4
97.06558	1.7
103.01943	0.6
105.03384	2.7
105.07110	1.5
107.08603	0.7
108.31809	0.6
115.05499	1.2
119.04973	1.3
119.08607	0.8
123.08123	0.6
125.05980	0.8
128.06232	1.5
129.07027	0.8
129.25471	0.6
131.01314	1.0
131.04985	0.7
133.02901	1.5
133.10159	0.9
140.06160	0.6
141.06993	1.6
143.08603	1.0
145.10204	0.8
147.04434	1.4
152.06177	9.3
153.05545	0.7
153.07039	4.2
154.07843	0.7
155.04955	0.9
155.08577	1.1
157.10112	0.8
161.02351	3.0
165.06966	5.5
166.07829	2.2
167.08566	9.9
168.05838	0.7
169.06541	2.5
169.10144	1.3
171.04437	0.6
171.08089	1.0
175.03941	1.5
176.06276	2.4
177.06999	4.6
178.07776	5.8
179.08571	9.6
180.05716	2.2
181.06442	6.0
181.10159	0.6
182.07207	1.5
183.04437	1.0
183.08125	1.6
183.11778	0.6
185.02568	0.8
185.06042	0.9
188.01094	0.8
189.01831	14.8
189.03487	0.9
189.07053	1.9
190.02205	0.9
190.07756	0.9
191.08574	0.6
193.06529	0.9
194.07277	1.1
195.04469	1.7
195.08047	16.7
196.08691	1.4
197.02315	1.6
197.05995	2.1
197.09625	1.0
198.06818	1.0
199.03917	2.8
199.07555	0.9
200.04684	0.7
203.03421	1.6
205.06491	6.7
206.07161	0.9
207.04504	1.0
207.08034	8.6
208.05307	3.0
208.08620	0.8
209.05975	5.8
210.06732	3.4
211.04030	0.8
211.07506	3.1
212.04729	1.6
213.01912	1.4
213.05463	5.7
214.02634	1.1
215.03394	3.0
217.01311	22.6
218.01674	1.5
219.08170	0.7
220.05278	1.7
221.05957	2.7
222.06781	1.7
223.03973	2.1
223.07539	21.3
224.04672	1.3
224.08176	2.2
225.01855	3.4
225.05382	3.3
225.09090	1.9
226.06221	2.8
227.03537	6.5
227.07004	19.5
228.04013	1.4
228.07761	5.6
229.01389	1.9
229.04919	4.3
229.08470	0.9
231.02942	1.9
233.05978	5.5
234.06699	2.6
235.04002	0.9
235.07520	10.1
236.04639	4.6
236.08273	0.9
237.05423	8.2
237.09116	2.2
238.06219	9.2
239.03322	2.1
239.06999	8.1
240.04054	1.3
240.07738	1.7
241.01324	1.4
241.04956	2.3
241.08578	2.0
242.05792	1.0
243.02843	1.1
243.06517	19.1
244.06842	1.4
247.02321	7.6
249.05478	9.9
249.09186	1.4
250.06177	7.0
251.03357	2.0
251.07008	24.0
252.04207	7.2
252.07404	3.0
253.04958	13.3
253.08623	10.8
254.05350	1.1
254.09056	1.2
255.02901	1.3
255.06578	2.4
257.04395	5.6
261.05432	3.7
262.06076	1.0
263.07019	19.8
264.04294	1.5
264.07703	4.4
265.04974	9.8
265.08588	17.6
266.05746	20.2
266.09024	2.4
267.02914	2.8
267.06473	15.0
267.09875	0.7
267.10495	0.7
268.03662	2.1
268.07007	1.9
269.00836	2.2
269.08041	1.8
270.05231	3.1
276.04236	1.4
277.04898	1.8
277.08502	1.0
278.05661	2.3
279.06512	17.0
280.03693	1.3
280.07062	3.7
281.01096	2.6
281.04529	12.3
281.08032	94.5
282.05243	1.2
282.08502	10.6
285.03922	2.1
285.07376	0.8
289.04984	0.9
291.06512	15.8
292.07224	3.1
293.04474	1.8
293.08008	15.0
294.05280	10.2
294.08521	1.8
295.06024	13.4
295.09537	1.8
296.06656	1.8
297.03906	0.9
297.07379	0.7
299.02118	2.8
304.03708	1.3
307.05899	3.4
307.09692	2.5
308.06769	1.7
308.10165	0.9
309.07553	100.0
310.07993	12.9
311.05640	0.7
311.09079	2.0
313.10693	1.7
319.02597	0.9
319.06030	8.8
320.06323	1.0
322.04620	1.3
322.08176	0.7
323.09106	4.1
325.07037	1.0
325.10666	1.7
327.08548	2.1
337.07037	71.4
338.07306	6.1
338.11407	3.5
339.08475	1.1
339.12088	1.5
341.10117	6.1
351.08630	4.0
351.23117	0.7
354.10913	0.8
369.09503	23.8
369.13370	4.2
369.24039	1.4
370.09641	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49519	0.4
69.03446	0.6
69.07063	1.8
78.59847	0.4
85.02885	1.0
97.02890	0.8
119.42852	0.5
129.83064	0.4
145.04990	0.5
156.07616	0.5
163.04063	0.5
179.03462	0.6
185.04201	3.7
206.05522	4.3
207.06274	11.3
283.43298	0.5
369.11536	100.0
369.15186	4.9
370.03561	0.7
370.11966	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38383	0.5
53.03947	0.8
55.05505	2.0
63.02375	0.7
65.03931	3.7
67.05493	3.4
69.03418	0.9
69.18554	1.3
69.18965	4.4
83.04981	7.3
85.02903	1.7
89.03912	8.3
91.05478	2.0
93.03393	3.3
95.04958	5.3
111.04446	6.6
117.03375	24.8
118.03690	0.7
119.04915	0.8
121.06459	0.6
125.05980	2.8
129.05498	0.7
132.59706	0.6
133.55629	0.5
134.03612	1.3
135.04413	1.1
137.05978	7.3
139.03932	1.3
145.02846	52.6
146.03168	1.8
149.05988	7.7
150.06358	0.6
151.07553	1.6
153.05457	6.2
162.05389	0.6
171.03833	0.6
177.05466	100.0
178.05836	4.5
179.07028	2.5
181.29388	0.7
187.69514	0.6
208.05789	3.5
248.98769	0.5
327.10675	0.6
369.11484	1.8
370.11099	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1178
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
68.76614	4.1
69.70486	15.9
75.83829	4.4
89.03905	8.6
95.04932	4.2
103.84985	3.9
117.03378	33.1
117.69652	4.2
145.02859	54.3
149.06015	8.6
177.05460	100.0
249.92598	4.6
278.81992	4.4
328.74127	4.9
369.15137	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.0
55.05510	5.3
57.03426	1.8
59.04998	11.4
67.05501	4.5
69.07048	1.6
69.12878	7.0
69.13291	2.5
73.06552	3.1
75.04472	5.3
79.05491	2.4
81.07045	3.8
83.04974	3.3
87.04477	5.2
91.05476	13.4
93.07037	6.6
95.04972	2.4
95.08620	5.6
97.06507	1.1
103.05446	2.2
104.06242	5.5
105.07036	6.4
107.08625	3.5
109.06526	4.2
115.03945	3.8
115.05449	6.5
117.07030	7.6
119.04946	19.4
119.05959	1.9
119.08578	11.3
121.06483	9.4
121.10196	1.2
123.08100	2.5
128.06235	1.3
129.07037	2.8
131.04857	1.1
131.08560	2.0
132.04713	2.4
132.05710	42.8
133.06367	1.6
133.10138	2.3
134.07285	3.1
135.11670	1.3
136.05150	1.4
141.06973	1.2
142.07848	1.0
143.08554	3.3
145.10149	3.3
147.08035	21.2
147.11708	2.2
149.06024	5.2
149.09660	2.1
153.07018	1.7
155.08545	2.7
157.10129	1.8
159.11720	1.6
160.05226	4.2
161.06036	1.4
161.13239	1.3
163.11221	2.2
164.08339	2.6
165.06981	5.9
165.09190	1.6
165.12822	1.3
166.07817	2.0
167.08519	2.3
168.09369	1.7
169.10115	1.8
171.11688	3.0
173.09578	1.2
175.03926	3.5
175.07558	8.6
175.11224	2.3
176.08331	2.1
177.05510	4.6
178.07767	1.7
179.08611	2.7
179.10704	15.1
180.09320	1.9
181.06566	2.0
182.07285	1.7
183.08116	1.6
183.11731	1.7
185.13271	1.5
187.11147	1.3
189.12766	2.7
190.07811	1.7
191.07013	1.1
191.08640	2.4
192.07738	5.0
193.06412	1.5
193.10167	1.3
194.07283	3.5
195.08083	4.5
196.05099	1.4
196.08847	2.5
197.06018	3.3
197.13231	1.4
199.03984	1.5
205.06496	3.3
207.08183	4.5
207.10153	100.0
208.05341	1.0
208.08792	2.8
208.10521	4.0
209.06012	3.5
209.09633	4.1
210.06741	3.1
211.07469	5.0
211.14793	1.9
212.04613	2.2
212.08286	1.6
213.05486	3.1
218.07365	1.6
219.08134	4.5
220.08698	1.5
221.06041	4.2
221.09685	1.4
222.06743	6.3
222.10361	1.3
223.03943	1.6
223.07497	6.0
223.11156	1.7
224.08304	2.3
225.05553	4.5
225.09087	4.7
225.11224	2.4
226.06230	2.3
227.07086	3.9
227.14363	1.3
229.15961	3.7
233.06000	2.0
233.09560	2.0
234.06834	3.9
235.07512	6.5
236.04688	3.3
236.08307	4.9
237.05467	15.4
237.09114	12.4
238.06200	3.1
238.09816	2.0
239.03488	2.4
239.06944	6.6
239.10760	1.7
240.04047	1.3
240.07768	2.2
241.05025	2.7
241.08562	2.4
242.05647	1.3
243.06619	1.7
247.07663	2.4
248.08170	2.2
249.05411	4.9
249.09154	2.4
250.06216	8.3
251.03493	5.0
251.07034	18.6
251.10593	4.1
252.04262	5.8
252.07787	13.6
253.04945	5.0
253.08591	18.1
254.05753	4.7
254.09138	2.1
255.06554	11.8
255.10130	2.9
255.17546	1.9
256.07224	2.0
257.08246	2.0
261.09253	1.6
262.06351	1.6
263.07062	19.7
264.04681	1.8
264.07758	11.6
265.05026	14.2
265.08609	20.8
266.05814	11.1
266.09247	8.5
267.03540	1.4
267.06586	10.8
267.09692	6.6
268.07288	4.6
268.10806	1.4
269.04520	2.1
269.08139	5.5
269.11716	3.5
270.08554	1.4
275.07101	2.1
276.07819	1.4
277.05215	1.8
277.08652	8.8
278.05872	2.7
278.09378	6.1
279.06580	30.6
279.10162	10.4
280.03979	2.5
280.07297	35.6
280.10751	3.5
281.04559	7.0
281.08087	32.6
281.11151	0.9
282.05283	4.4
282.08875	9.7
283.06042	3.9
283.09680	7.4
284.06793	1.9
284.10251	1.6
285.07654	5.2
290.05804	2.6
291.06525	2.6
292.07156	2.0
293.04630	1.7
293.08005	9.6
294.05350	2.2
294.08792	23.3
295.06088	14.2
295.09579	77.3
296.06799	21.1
296.10217	10.3
297.07590	21.8
297.11218	7.5
298.08337	4.3
299.09210	2.8
305.08066	9.7
306.08853	2.8
307.06049	4.0
307.09677	9.6
308.07141	1.6
308.10422	3.2
309.07513	6.6
309.11142	14.2
310.08322	7.5
310.11972	3.0
311.05579	1.3
311.09158	40.4
311.12723	7.0
312.06284	2.0
312.09811	13.2
313.10513	2.8
319.05856	1.2
319.09521	1.6
320.10300	1.5
321.07767	2.3
321.11398	2.7
322.08240	7.8
323.09265	8.3
323.12485	1.6
324.06195	1.9
324.09985	3.2
325.07077	4.4
325.10760	6.0
326.07819	2.2
326.11401	17.6
327.08499	3.1
327.12177	26.4
328.12881	1.5
336.09915	1.5
337.10669	38.4
338.07547	1.6
338.11386	13.9
339.08426	9.1
339.12344	19.8
340.09387	3.0
341.10123	1.7
341.13760	6.4
351.12225	12.2
351.23300	3.5
354.10806	9.6
369.13333	93.0
369.23935	13.8
370.13712	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1332
Annotation	Egonol Acetate
Peak:m/z	Relative Intensity
55.01852	1.3
55.05518	1.3
57.03419	1.3
59.05001	8.9
63.84304	0.8
65.03944	1.3
67.05492	1.0
68.99804	0.7
69.98242	0.6
71.32598	1.1
73.06553	2.5
75.04479	4.7
78.04675	1.3
79.05486	2.4
81.07035	0.8
83.04972	2.0
87.04472	5.3
91.05474	11.2
93.07034	4.1
95.04984	1.3
103.05441	1.5
104.06241	6.1
105.07021	2.9
107.04953	0.9
109.06503	3.0
115.03963	5.3
115.05449	5.6
115.07571	1.3
116.06231	2.0
117.07025	4.8
119.04937	18.2
119.05943	1.3
119.08580	8.8
120.05313	0.8
121.06499	9.4
121.10081	1.1
125.05950	0.9
127.07553	0.7
132.05707	50.8
133.06360	1.5
133.10037	0.8
134.07268	2.4
136.05135	0.7
136.08826	1.2
139.07570	0.9
143.04900	0.9
144.05719	0.8
145.06462	1.7
147.08043	21.6
148.08551	0.9
149.05937	5.4
149.09502	1.0
152.06178	1.0
153.06912	1.3
155.08546	1.0
159.04437	1.1
160.05217	4.3
161.05917	2.1
164.08295	2.7
165.06943	4.6
165.09103	1.9
166.07788	1.7
167.08530	2.4
169.06424	1.1
174.06795	0.8
175.03914	2.1
175.07550	9.4
176.08273	2.0
177.05434	4.3
177.06873	1.3
178.07806	1.4
179.08534	2.1
179.10672	15.0
180.09293	1.0
180.10997	0.9
181.06464	2.1
182.07260	1.1
183.08018	1.4
189.05475	1.1
189.07059	1.2
190.07730	1.1
191.07016	1.1
191.08582	2.2
192.07820	4.5
192.09344	1.2
192.31763	0.7
193.06458	1.6
194.07242	2.7
195.08043	3.8
196.08865	0.7
197.05923	1.5
197.09639	1.0
199.03822	0.9
205.06465	1.8
206.07332	1.6
207.10152	100.0
208.08743	2.3
208.10495	4.5
209.05989	2.9
209.09671	3.4
210.06712	2.1
211.07571	4.2
212.04601	1.3
213.05415	2.8
214.05952	0.9
218.07324	0.9
219.08008	3.2
220.08678	0.9
221.05957	3.9
221.09538	1.9
222.06773	4.4
223.03972	1.3
223.07458	4.0
223.11133	1.7
224.04739	0.9
224.08214	2.0
225.05681	3.4
225.09053	4.6
225.11192	3.3
226.06165	2.3
227.07002	2.3
232.08798	1.1
233.06055	1.5
233.09557	2.1
234.06700	1.6
235.07547	5.4
235.11105	1.3
236.04703	1.0
236.08258	5.4
237.05463	10.6
237.09090	10.2
238.06169	4.0
238.09531	1.6
239.03339	1.7
239.07005	5.6
239.10709	1.8
240.04138	1.2
240.07706	2.1
241.04883	2.4
241.08499	2.5
242.05650	1.1
243.06419	1.2
247.07545	3.6
248.08342	1.6
249.05504	5.1
249.09053	3.0
250.06242	6.5
250.09827	1.2
251.03355	3.0
251.07028	14.7
251.10770	4.6
252.04230	5.2
252.07747	8.7
252.10646	1.2
253.04979	4.6
253.08582	12.2
254.05658	3.8
254.09111	2.1
255.06514	7.7
255.10144	1.5
256.07184	1.6
257.08154	2.5
261.09164	1.7
262.06207	2.5
262.09866	1.4
263.07019	15.4
263.10333	1.7
263.10944	1.3
264.04254	1.4
264.07733	8.9
264.11337	1.4
265.04953	11.0
265.08533	17.5
265.11966	1.0
266.05853	8.6
266.09201	6.6
267.06537	8.6
267.09631	4.8
268.07220	3.2
268.10794	1.3
269.05038	0.8
269.08020	4.1
269.11621	2.1
270.05536	1.0
275.07028	2.2
276.07770	1.2
277.08582	6.5
278.05853	1.7
278.09311	5.8
278.12503	1.2
279.03406	0.9
279.06470	23.5
279.10052	10.9
280.03931	2.3
280.07257	23.1
280.10751	4.7
281.04449	4.9
281.08023	25.7
281.11304	1.5
282.05225	2.8
282.08759	6.4
283.06015	3.5
283.09610	6.2
283.12964	1.7
284.06775	1.6
285.07492	1.8
289.08609	0.9
290.05585	2.3
291.06479	1.9
291.10004	2.3
292.07312	1.9
292.10910	2.9
293.07993	9.6
293.11661	4.0
294.05481	0.9
294.08865	15.5
294.12262	1.8
295.06006	10.0
295.09592	47.6
295.13068	3.9
296.06705	17.7
296.10196	8.3
297.07474	16.8
297.11139	6.7
298.08054	3.3
299.08981	2.0
305.08124	7.5
305.11417	1.5
306.08694	2.4
306.12341	1.4
307.06009	3.0
307.09567	8.7
307.13208	2.2
308.06729	2.2
308.10300	5.0
309.07480	3.4
309.11072	11.2
309.14844	2.1
310.05066	0.9
310.08197	5.1
310.11792	2.2
310.15558	1.9
311.05725	1.4
311.09055	24.7
311.12723	7.4
312.09814	8.3
312.13113	1.4
313.10602	2.1
319.09454	1.1
321.07361	2.0
321.10983	1.6
322.08270	6.2
322.11890	2.5
323.08984	6.6
323.12723	7.7
324.06253	0.9
324.09805	3.0
324.13449	1.6
325.06982	3.0
325.10580	4.4
326.07877	1.6
326.11423	8.5
326.15048	1.3
327.08542	3.1
327.12213	18.3
328.12543	1.0
336.09467	1.0
337.10590	26.7
337.14383	10.3
338.11212	11.7
338.15070	9.1
339.08282	6.0
339.12173	19.1
339.15762	1.8
340.09250	2.9
340.12726	1.9
341.13565	4.3
341.17377	1.3
351.12189	6.8
354.10770	6.9
355.15244	3.3
369.13177	62.4
369.17084	10.8
370.14169	5.2
370.17557	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1332
Annotation	Egonol Acetate
Peak:m/z	Relative Intensity
55.01855	1.0
55.05504	1.1
57.03444	2.2
59.05004	8.4
69.03351	0.8
69.58534	3.4
73.06551	1.8
74.80265	0.8
75.04486	2.8
78.04708	0.7
79.05505	1.3
83.04999	1.7
87.04457	4.7
89.16208	0.9
91.05480	8.4
93.07048	3.5
98.23315	1.4
103.05448	1.4
104.06237	6.7
105.07031	3.7
107.04955	1.0
109.06499	2.6
115.03936	5.4
115.05434	5.0
115.07546	0.7
117.07024	5.4
119.04944	22.5
119.05914	1.1
119.08578	7.9
121.06491	8.2
124.15304	0.7
129.07042	1.0
131.04926	1.1
132.05708	46.6
133.06459	1.9
134.07281	3.4
136.08926	0.9
143.04933	1.7
145.06467	1.3
147.08057	20.1
149.05988	4.5
153.07045	0.8
160.05164	3.7
161.05841	0.8
163.07567	1.0
164.08374	2.7
165.07047	2.6
165.09161	1.5
166.07739	1.4
167.08678	1.0
175.03932	3.2
175.07521	8.9
176.08275	1.6
177.05440	4.1
178.07851	2.6
179.08591	2.1
179.10670	16.2
180.10957	1.0
181.06526	1.7
182.07307	1.5
188.53491	0.9
190.07765	1.0
191.08658	1.3
192.07825	3.2
194.07269	2.2
195.08037	3.5
196.08867	1.2
197.05980	1.5
197.09685	1.2
199.04073	1.1
205.06584	1.2
207.10156	100.0
208.08826	2.0
208.10529	4.4
209.06000	2.6
209.09641	2.9
210.06750	2.2
211.07570	3.1
212.04675	1.5
213.05464	3.0
219.08034	2.3
221.05896	3.8
221.09550	1.2
222.06752	2.9
223.07549	3.3
223.11209	2.2
224.08223	1.1
225.05458	2.8
225.09119	3.9
225.11180	2.4
226.06213	1.8
227.07097	2.2
233.09599	0.9
234.06770	1.4
235.07553	3.1
236.08324	2.4
237.05418	8.7
237.09082	7.3
238.06229	3.1
239.03482	2.3
239.06975	3.8
240.07710	2.0
241.05040	2.1
241.08557	2.2
242.05847	0.8
247.07698	1.4
249.05447	4.0
249.09184	1.2
250.06175	4.8
251.03503	4.9
251.07045	12.1
251.10677	3.1
252.04135	4.0
252.07774	6.2
253.04968	4.4
253.08594	10.1
254.05884	1.7
254.09338	1.7
255.06543	7.0
255.09917	1.6
256.07236	1.4
257.08151	1.9
262.06314	1.4
263.07004	11.5
263.10364	1.3
264.07788	6.5
265.05020	9.0
265.08600	14.3
266.05832	8.7
266.09119	6.2
267.06509	9.9
267.09979	3.3
268.07257	3.0
269.04706	1.0
269.08105	4.7
269.11557	1.6
275.07108	2.1
277.08612	5.3
278.05960	1.0
278.09421	3.9
279.06549	18.6
279.10162	6.7
280.04239	0.8
280.07294	21.5
280.10443	1.5
281.04501	3.5
281.08008	21.5
282.05344	1.9
282.08789	6.2
283.05978	3.1
283.09668	4.2
284.06976	1.6
284.09985	0.9
285.07614	2.7
290.05573	1.2
291.06543	1.5
292.07254	1.6
293.08096	6.2
294.08786	13.2
295.06052	8.2
295.09561	44.6
296.06754	14.5
296.10287	6.1
297.07590	18.0
297.11191	6.1
298.08298	2.1
299.09216	1.1
305.07996	5.4
306.08774	2.7
307.05988	2.6
307.09665	4.6
308.10141	2.1
309.07541	2.5
309.11176	7.5
310.08264	6.2
310.11929	2.0
311.09128	23.0
311.12750	6.1
312.09836	6.4
313.10727	1.0
320.10510	1.9
321.07773	1.8
321.11295	1.8
322.08264	4.2
323.09021	5.2
324.09756	2.3
325.06873	2.4
325.10681	4.7
326.07797	1.3
326.11447	10.0
327.08456	2.1
327.12189	18.1
328.12689	1.4
336.09827	1.5
337.10706	24.1
338.11383	8.5
339.08289	2.8
339.12192	12.8
340.09225	3.0
341.13824	3.9
351.12247	6.0
354.10852	5.6
369.13300	58.7
370.13605	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1334
Annotation	Egonol Acetate
Peak:m/z	Relative Intensity
51.83427	0.5
55.01902	0.6
56.83918	0.5
61.29183	0.6
67.05515	0.6
68.55936	0.5
69.07062	1.3
69.17466	1.3
69.17880	3.6
81.07040	1.0
93.07040	1.3
95.08618	1.1
105.07002	1.7
107.08623	0.8
109.10162	1.3
119.08598	1.2
126.41479	0.7
133.10123	0.9
147.11726	1.0
159.11732	0.8
165.06998	1.9
167.08592	0.5
175.11148	0.8
177.06895	0.8
178.07784	1.7
179.08585	1.1
181.06503	1.0
181.10074	0.8
187.11264	0.8
189.07024	1.4
190.07793	1.2
191.08575	2.0
193.06480	1.3
194.07298	2.1
195.08051	1.3
197.05980	0.7
203.08583	0.8
205.06474	5.1
206.07256	3.7
207.04427	0.6
207.07959	3.9
208.08815	1.4
209.05905	1.3
209.09581	2.4
210.06805	1.6
211.07588	0.7
218.07291	2.7
219.08078	5.6
220.05096	0.8
221.05975	3.9
221.09576	3.7
222.06750	5.3
223.07510	1.9
224.04646	0.9
224.08232	0.6
225.05214	1.2
225.09067	1.5
227.03310	1.2
231.08084	0.9
233.05989	6.6
234.06769	17.5
235.07515	7.9
236.04640	1.3
236.08273	2.5
237.05453	2.0
237.09093	8.0
238.06378	2.5
238.09599	0.9
239.06984	1.5
241.08643	1.0
242.05795	2.0
247.07626	2.6
248.04726	1.3
248.08372	2.7
249.05440	4.0
249.09117	21.9
249.86896	0.6
250.06229	6.2
250.09608	2.1
251.03239	0.8
251.07037	4.3
251.10623	1.0
252.07785	2.2
253.04916	1.2
253.08565	2.7
254.09201	0.8
261.05420	2.7
262.06195	2.0
263.07074	8.4
263.10092	0.7
263.10812	0.7
264.07809	6.1
265.05081	2.0
265.08582	15.3
266.05719	2.1
266.09076	2.7
267.06668	1.3
267.10141	2.4
268.07367	1.3
268.10779	0.6
269.08081	0.9
275.07040	1.2
276.07782	4.7
277.05023	4.4
277.08582	22.4
278.05734	3.1
278.09201	1.7
279.06522	5.0
279.10190	5.4
280.04510	0.8
280.07281	4.4
280.10907	6.4
281.08075	7.3
281.11276	1.2
283.06003	1.3
283.09628	0.7
291.06516	7.3
291.09647	1.0
292.07318	11.5
292.10577	0.9
293.04721	1.3
293.08063	19.7
294.05725	0.6
294.08679	2.5
295.05984	1.7
295.09641	5.9
295.20297	0.6
296.06754	2.5
296.10379	2.5
297.07562	1.3
299.05450	0.7
300.06229	3.9
301.07126	0.7
305.08078	1.4
306.08795	5.6
307.06067	5.5
307.09592	41.0
308.06717	4.9
308.10309	14.7
309.07532	6.3
309.11075	3.3
310.08234	1.0
311.09128	6.5
311.12747	1.8
313.07178	0.7
321.07651	0.9
322.08368	7.6
323.09164	20.9
324.06384	1.0
324.09763	5.9
325.10577	1.0
327.08701	1.6
327.12415	0.6
337.06970	0.9
337.10739	10.9
337.14359	1.5
338.11472	56.7
339.08524	6.1
339.12198	19.2
340.08875	0.9
340.12662	0.9
341.13870	0.7
354.10983	12.6
355.11456	1.4
369.13303	100.0
369.27988	1.6
370.13699	9.2
370.17908	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1333
Annotation	Isoanhydroicaritin
Peak:m/z	Relative Intensity
58.22152	0.3
63.30965	0.3
67.05491	0.4
69.35763	1.9
69.84881	0.3
81.07022	0.5
91.05469	0.5
93.07050	0.7
95.08607	0.7
98.23103	1.0
105.07056	0.8
117.06975	0.3
121.10126	0.3
131.08611	0.4
133.10094	0.5
135.08215	0.3
145.10091	0.5
159.11757	0.4
165.07138	0.6
169.06354	0.3
175.11215	0.4
183.08003	0.4
193.06474	0.3
195.08107	0.4
211.07527	0.6
211.14781	0.5
221.05923	0.6
222.06584	0.4
223.07518	1.0
226.06311	0.6
229.15909	0.6
234.06816	0.8
235.07526	0.8
236.04697	0.3
236.08313	0.6
237.05423	2.5
238.06198	0.4
239.07045	1.9
241.04973	0.3
250.06235	0.4
251.07074	2.5
251.10786	0.4
252.04082	0.4
252.07816	1.5
253.05042	0.6
253.08424	0.4
254.02257	0.5
254.05739	0.8
255.06413	0.5
263.07104	0.5
264.04193	3.3
264.07645	0.5
265.04965	22.1
266.05344	1.6
266.09528	0.3
267.06537	4.6
267.09921	0.6
268.06909	0.5
269.04398	0.9
269.07965	0.6
271.06064	1.1
275.07092	0.3
277.08530	0.8
278.09003	0.3
279.06540	2.7
279.10132	0.9
280.07291	2.8
281.04324	0.5
281.08051	1.0
282.05261	1.3
283.06003	0.8
283.09613	0.5
292.03699	2.9
292.06833	0.5
293.04474	2.3
293.08041	0.9
294.05530	0.7
294.08893	1.6
295.06091	1.0
295.09555	5.9
296.03516	0.4
296.06711	1.7
296.10104	1.0
297.03940	9.9
297.07568	3.6
298.04349	1.0
298.07578	0.3
307.05994	1.2
307.09662	1.7
308.06772	0.5
308.10156	0.7
309.07504	0.9
309.11212	1.9
310.04684	7.2
310.12030	0.5
311.05270	1.3
311.09109	2.6
311.12466	0.7
312.06213	1.4
312.09906	1.7
313.07083	1.4
321.07074	0.4
322.08432	0.5
323.05661	0.4
323.09006	0.7
324.06473	1.5
325.07083	35.3
325.10529	1.8
326.07431	2.7
326.11447	1.7
327.08408	0.5
327.12186	1.0
337.10706	3.7
338.11246	0.7
339.08624	5.8
339.12329	0.7
340.09314	6.8
341.09851	0.5
341.13724	0.5
351.22928	0.6
353.10178	2.6
354.10938	5.6
368.38770	0.8
369.13315	100.0
370.13675	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1331
Annotation	SOPHOFLAVESCENOL
Peak:m/z	Relative Intensity
55.05531	0.8
57.07092	0.6
67.05521	0.8
69.07097	1.1
69.53082	1.2
70.11535	0.2
79.05505	0.5
80.61969	0.2
81.07088	1.0
81.44263	0.3
83.08615	0.5
85.06552	0.3
86.51126	0.3
91.05488	3.3
92.05855	0.4
93.07085	1.0
95.08650	0.7
99.53809	0.2
105.07086	0.8
106.06606	0.3
107.08604	0.5
108.08153	0.5
109.10195	0.5
117.07092	0.3
121.10178	0.4
123.11733	0.3
131.08612	0.4
133.10162	0.7
135.11731	0.7
135.57188	0.3
143.08730	0.3
145.10213	0.6
148.21794	0.3
149.09627	0.4
149.13313	0.3
165.07117	0.3
171.11691	0.3
179.08507	0.3
181.06511	0.6
189.12706	0.3
196.08890	0.4
197.95859	0.3
207.08000	0.3
211.07585	0.9
215.14169	0.3
221.06108	0.3
222.06697	0.3
223.07520	0.6
225.05554	0.4
226.06326	0.4
234.06702	0.4
235.07515	0.6
236.08252	0.5
237.05592	0.8
237.09113	0.6
238.06178	0.3
239.07034	2.4
241.04877	0.3
249.09224	0.6
251.07124	1.1
252.07777	0.4
253.04971	0.6
253.08791	0.4
254.02144	0.5
254.05637	0.6
255.06569	0.7
263.07220	0.6
264.04214	2.4
264.07504	0.4
265.04959	23.2
266.05304	2.1
267.06522	5.0
269.04495	1.5
269.08112	0.7
270.05109	0.4
271.06018	1.6
277.08685	0.3
279.06570	2.2
279.10178	1.3
280.07315	1.0
280.10861	0.6
281.04611	0.6
281.08121	1.5
282.05252	1.1
283.06073	0.9
283.09814	0.3
285.04041	0.3
291.06616	0.4
292.03635	3.1
292.06912	0.4
293.04443	2.3
293.08081	1.0
294.05096	0.7
294.08701	0.7
295.06000	1.7
295.09641	1.3
296.06763	1.2
297.03943	11.4
297.07568	4.0
298.04449	1.0
307.05975	1.2
307.09698	1.8
308.06693	0.7
308.10410	0.7
309.07605	2.0
309.11197	0.8
310.04697	7.2
310.07825	0.4
311.05322	1.4
311.09158	1.5
311.12784	0.9
312.06488	1.2
312.09616	0.4
312.32657	1.0
313.06992	1.5
313.32788	0.5
322.08414	0.5
323.05463	0.7
323.09201	1.1
323.12637	0.3
324.06436	1.4
324.09714	0.4
324.32474	0.3
325.07068	35.2
325.10507	2.0
326.07382	2.5
326.11142	0.6
327.08893	0.5
337.07245	0.4
337.10693	2.3
337.14395	0.5
338.11478	1.3
339.08627	5.6
339.12180	0.6
340.09375	7.8
341.09894	0.7
353.10245	2.9
354.10944	5.0
355.11325	0.4
368.38815	1.8
369.13306	100.0
369.38837	0.9
370.13647	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1333
Annotation	Neorautanol
Peak:m/z	Relative Intensity
55.01854	2.0
55.05511	13.2
56.94242	1.5
58.17942	1.4
59.04993	4.0
67.05505	4.1
71.31062	2.1
72.04514	7.6
79.05492	4.3
79.76647	1.4
81.07045	3.2
83.04977	15.7
91.05490	2.9
93.07030	4.9
95.08615	3.6
105.07037	2.0
113.06024	1.6
119.08570	3.4
121.10114	2.3
123.04430	2.6
127.42184	1.5
129.07053	2.5
131.08551	3.2
145.10138	1.7
149.09624	1.7
153.06987	1.8
157.10141	2.2
165.07037	2.2
166.07748	2.4
169.10155	1.7
169.34293	1.4
178.07741	1.9
179.08556	2.5
181.06468	2.1
181.54472	1.7
184.17010	3.8
185.17305	3.4
194.07326	2.2
195.08064	3.8
197.06035	2.5
199.03844	2.0
202.18053	6.8
203.18274	1.9
205.06555	1.8
207.08141	2.2
208.08900	1.9
209.06010	2.4
209.09669	1.5
210.06708	1.9
211.03972	4.3
211.07556	4.9
211.14806	2.1
212.04628	3.7
213.05434	3.4
219.08130	1.9
221.05971	3.5
222.06728	3.2
223.03931	5.1
223.07443	1.8
224.04713	3.3
225.05501	1.8
226.06224	2.8
227.07047	3.6
235.07474	2.9
236.04739	1.6
237.05482	12.8
237.09096	8.3
238.06287	4.8
239.03395	22.3
239.07018	4.0
240.04021	3.5
240.07799	2.3
241.04973	3.2
241.08549	2.9
243.06689	1.7
247.07736	2.0
249.05441	3.7
249.09091	2.1
250.06256	4.5
251.03406	42.0
251.07089	11.2
251.10533	4.0
252.04187	18.4
252.07710	8.2
253.04988	6.4
253.08517	8.6
254.05717	4.6
255.06532	5.9
256.07071	2.0
263.07059	11.9
264.07727	5.4
264.11447	1.9
265.04932	6.2
265.08557	10.3
266.05725	29.9
266.08817	2.1
267.03101	8.3
267.06406	8.0
267.10001	3.3
268.03717	1.7
268.07208	4.1
269.08228	10.9
270.08798	2.1
276.07867	2.1
277.08594	6.4
278.09238	3.8
279.06516	17.3
279.10080	7.0
280.04303	2.8
280.07306	23.4
280.10321	3.9
281.08093	18.2
282.05185	11.0
282.08398	3.9
283.05981	9.8
283.09152	3.2
291.10019	1.6
293.08099	5.4
294.08865	12.6
295.06049	9.7
295.09650	46.0
295.12994	4.7
296.06744	13.1
296.10178	6.7
297.07574	100.0
297.10883	4.3
298.08063	10.5
299.08948	1.8
305.08032	4.1
307.09705	5.5
308.06509	1.8
308.10583	1.5
309.07770	2.7
309.11179	9.7
310.08319	2.4
310.15683	3.3
311.05704	2.8
311.09106	18.3
311.12534	2.1
312.09882	5.3
322.08279	4.0
323.09207	3.1
323.12708	3.7
324.09689	2.5
325.10678	3.1
326.07736	2.0
326.11316	3.6
327.08499	5.5
327.12210	8.5
337.10632	17.0
337.14493	5.5
338.11447	6.2
339.08502	2.8
339.12195	11.0
340.09354	1.9
341.17609	2.6
351.12204	3.9
354.10880	2.9
369.09061	2.4
369.13226	38.5
369.17108	10.9
369.24252	3.3
370.13779	4.4
370.17783	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.1
55.05506	2.1
57.02359	1.1
57.07083	9.4
67.05507	4.1
68.99803	7.5
69.03455	1.6
69.39775	7.4
71.04997	1.4
79.05446	1.1
81.07072	2.5
83.04987	3.7
85.06538	6.3
91.05479	3.4
91.32765	1.1
93.07065	1.6
95.04980	2.6
95.08630	1.7
97.02882	1.2
97.06557	1.5
103.05456	8.4
105.07043	3.8
107.04986	2.1
111.00798	3.5
111.04462	6.4
114.67857	1.1
115.05479	2.9
117.07018	3.6
119.08551	1.6
121.02861	3.6
123.04427	21.0
129.07016	2.8
131.04927	25.1
131.08592	2.6
133.10147	1.4
135.04451	5.4
137.02400	1.2
137.05965	5.8
139.03906	89.9
140.04236	2.9
143.04967	1.6
143.08521	1.8
145.06502	4.9
145.10141	4.8
147.04480	2.8
149.02345	1.6
149.05981	36.4
151.03917	10.8
152.06207	1.5
153.01852	3.1
153.05551	2.2
153.06998	2.7
155.08542	3.9
158.07251	1.6
159.04440	3.6
160.05225	5.1
161.05992	8.9
161.09637	1.6
163.03909	100.0
164.04312	2.8
165.06995	1.7
167.03404	17.2
167.08591	2.8
169.06470	1.7
169.10127	2.3
173.05989	11.9
173.09630	8.7
175.03899	1.8
175.07565	3.3
176.04620	1.4
177.05484	9.7
177.09055	1.8
179.03436	2.2
179.08614	1.8
181.06467	1.5
182.07335	1.6
183.08080	3.5
185.09741	1.7
187.07567	3.2
189.05515	4.7
189.09074	1.4
191.07013	2.1
191.10667	22.9
194.98474	1.2
195.08150	1.2
197.06032	4.9
197.09616	2.5
198.06920	1.3
199.03870	1.4
199.07571	1.8
201.05553	2.1
201.09096	7.7
203.10692	3.9
205.08644	5.4
205.12279	1.2
207.08185	1.9
210.06773	1.9
211.07607	4.1
213.05403	2.2
213.09203	1.7
214.06195	1.9
215.07069	2.5
215.10751	4.2
219.10164	34.6
219.12109	2.1
220.10619	1.3
221.06076	2.8
225.05690	1.4
225.09093	4.7
226.09863	1.8
227.07013	1.5
229.04961	1.2
231.10211	5.0
235.07651	1.9
237.05521	3.5
239.06964	1.6
241.08646	1.7
243.10097	6.9
249.05534	1.4
255.06479	2.8
263.07053	4.9
265.05020	2.2
266.05698	2.6
267.06461	2.5
276.07877	2.7
277.08713	1.9
279.06570	3.7
280.07446	1.7
281.08282	2.2
283.05969	14.1
284.06506	2.0
285.07590	5.9
291.06509	3.2
295.06009	9.0
296.06882	2.0
297.07513	1.7
305.08145	1.9
308.06735	9.1
309.07526	18.2
309.10849	2.2
310.08014	1.6
322.08411	5.4
323.12811	1.6
325.10901	1.8
333.11118	2.5
337.11063	2.2
339.12415	3.4
341.13855	6.9
351.12253	64.9
352.12503	6.6
369.13315	31.4
369.18033	1.9
370.13669	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1333
Annotation	Glyasperin M
Peak:m/z	Relative Intensity
55.01874	3.1
55.05506	2.1
57.02359	1.1
57.07083	9.4
67.05507	4.1
68.99803	7.5
69.03455	1.6
69.39775	7.4
71.04997	1.4
79.05446	1.1
81.07072	2.5
83.04987	3.7
85.06538	6.3
91.05479	3.4
91.32765	1.1
93.07065	1.6
95.04980	2.6
95.08630	1.7
97.02882	1.2
97.06557	1.5
103.05456	8.4
105.07043	3.8
107.04986	2.1
111.00798	3.5
111.04462	6.4
114.67857	1.1
115.05479	2.9
117.07018	3.6
119.08551	1.6
121.02861	3.6
123.04427	21.0
129.07016	2.8
131.04927	25.1
131.08592	2.6
133.10147	1.4
135.04451	5.4
137.02400	1.2
137.05965	5.8
139.03906	89.9
140.04236	2.9
143.04967	1.6
143.08521	1.8
145.06502	4.9
145.10141	4.8
147.04480	2.8
149.02345	1.6
149.05981	36.4
151.03917	10.8
152.06207	1.5
153.01852	3.1
153.05551	2.2
153.06998	2.7
155.08542	3.9
158.07251	1.6
159.04440	3.6
160.05225	5.1
161.05992	8.9
161.09637	1.6
163.03909	100.0
164.04312	2.8
165.06995	1.7
167.03404	17.2
167.08591	2.8
169.06470	1.7
169.10127	2.3
173.05989	11.9
173.09630	8.7
175.03899	1.8
175.07565	3.3
176.04620	1.4
177.05484	9.7
177.09055	1.8
179.03436	2.2
179.08614	1.8
181.06467	1.5
182.07335	1.6
183.08080	3.5
185.09741	1.7
187.07567	3.2
189.05515	4.7
189.09074	1.4
191.07013	2.1
191.10667	22.9
194.98474	1.2
195.08150	1.2
197.06032	4.9
197.09616	2.5
198.06920	1.3
199.03870	1.4
199.07571	1.8
201.05553	2.1
201.09096	7.7
203.10692	3.9
205.08644	5.4
205.12279	1.2
207.08185	1.9
210.06773	1.9
211.07607	4.1
213.05403	2.2
213.09203	1.7
214.06195	1.9
215.07069	2.5
215.10751	4.2
219.10164	34.6
219.12109	2.1
220.10619	1.3
221.06076	2.8
225.05690	1.4
225.09093	4.7
226.09863	1.8
227.07013	1.5
229.04961	1.2
231.10211	5.0
235.07651	1.9
237.05521	3.5
239.06964	1.6
241.08646	1.7
243.10097	6.9
249.05534	1.4
255.06479	2.8
263.07053	4.9
265.05020	2.2
266.05698	2.6
267.06461	2.5
276.07877	2.7
277.08713	1.9
279.06570	3.7
280.07446	1.7
281.08282	2.2
283.05969	14.1
284.06506	2.0
285.07590	5.9
291.06509	3.2
295.06009	9.0
296.06882	2.0
297.07513	1.7
305.08145	1.9
308.06735	9.1
309.07526	18.2
309.10849	2.2
310.08014	1.6
322.08411	5.4
323.12811	1.6
325.10901	1.8
333.11118	2.5
337.11063	2.2
339.12415	3.4
341.13855	6.9
351.12253	64.9
352.12503	6.6
369.13315	31.4
369.18033	1.9
370.13669	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1332
Annotation	Ciliatin B
Peak:m/z	Relative Intensity
50.67184	1.0
55.01864	1.9
55.05503	1.7
62.52314	1.0
65.03929	1.7
67.05493	3.0
68.99796	4.2
69.03438	6.1
69.07088	1.1
71.04993	3.9
71.30546	1.9
73.90744	1.0
79.05498	3.9
80.55249	1.0
81.03429	1.7
81.07056	3.6
85.06514	1.2
89.23831	1.0
89.60954	1.1
91.05468	5.5
92.43616	1.0
93.07061	4.9
95.04980	1.9
95.08595	1.2
97.02907	2.9
99.04449	9.7
102.33118	1.0
103.05463	1.8
105.07027	20.1
107.04958	2.6
107.08613	2.7
109.06503	1.2
109.10183	2.2
111.00805	3.8
111.04446	5.2
113.66227	1.1
117.06996	1.2
119.08584	2.9
121.02918	1.2
121.06486	2.3
121.10145	1.1
123.04429	12.0
123.08109	1.6
127.03886	2.5
128.06192	2.0
129.07018	1.3
131.04947	3.5
131.08611	2.0
133.06506	3.6
133.10124	14.6
137.02409	1.4
137.05989	4.0
139.03896	100.0
140.04179	2.4
141.06978	2.2
143.08528	1.3
144.05606	1.1
145.10187	1.8
146.07275	1.6
147.04449	2.9
149.05951	5.9
151.03920	1.6
151.07481	1.5
153.05453	1.9
155.08566	2.5
157.06493	1.2
159.08124	2.0
160.05215	3.4
161.05968	8.8
161.09612	19.3
163.03896	24.6
163.11206	5.8
165.07005	1.3
167.03441	1.5
167.07126	2.2
167.08527	2.2
169.10132	1.4
171.08055	1.6
173.05965	4.5
173.09688	1.2
174.06682	2.5
175.07550	4.2
177.05493	1.4
177.09167	1.6
179.03372	8.9
179.08470	1.7
179.10664	9.7
181.06451	1.7
183.08055	1.6
186.06735	1.3
187.07559	4.0
188.32579	1.2
189.05513	1.4
189.09103	12.0
191.10690	8.0
195.08128	1.5
197.05974	2.4
197.09575	1.7
200.08188	1.2
201.05481	4.4
201.09079	5.9
203.05200	1.4
203.10646	2.6
207.10033	3.9
213.09097	2.6
215.10661	6.0
217.08534	2.4
219.10146	10.0
221.06114	1.2
225.09135	4.4
225.11156	1.4
227.07135	1.1
229.04961	2.7
231.10062	9.5
239.07106	2.6
239.10667	1.5
243.10199	11.7
249.05486	2.5
253.04816	1.2
267.06573	1.6
277.04919	1.5
285.07855	1.5
295.06009	20.1
296.06699	2.6
297.07910	1.4
309.07510	5.0
311.05603	2.8
313.07047	40.3
313.10217	1.7
313.79916	1.2
314.07474	2.6
321.07654	2.6
322.08429	2.1
323.09045	2.2
325.10620	3.0
341.13782	1.7
351.12091	13.1
352.12283	1.6
369.06052	1.3
369.13254	14.3
370.13751	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.152
Annotation	Drosopterin
Peak:m/z	Relative Intensity
53.36526	0.4
53.69542	0.4
67.05506	0.7
67.17123	0.4
67.21554	0.4
69.03420	1.1
71.04977	1.3
71.30163	0.5
71.30567	0.5
81.03429	0.5
81.07050	1.0
83.04974	0.5
85.02906	3.6
95.08611	0.5
97.02879	0.7
109.10194	0.6
111.04469	0.6
111.08082	0.8
123.11700	3.1
127.05022	0.5
145.08624	3.1
151.07561	0.5
161.05998	0.7
177.05554	0.6
179.03458	0.7
183.02872	0.5
185.04222	14.3
186.04752	0.4
189.08923	1.5
191.09152	0.6
203.05237	1.9
207.06374	1.2
207.09927	7.1
207.13777	1.1
208.10687	1.2
218.10086	0.4
221.05031	0.5
238.37935	0.5
259.07928	5.5
369.15204	100.0
370.15515	8.1
370.19885	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
55.05515	1.5
58.07687	1.1
59.06796	1.2
64.05901	1.1
67.05478	1.5
69.03422	9.1
69.59584	5.0
71.04980	4.2
79.05518	1.6
81.03423	2.9
81.07063	4.3
85.02911	3.7
91.05471	6.9
93.07059	5.6
95.04936	1.5
95.08590	2.9
97.02882	4.9
97.06544	1.4
98.23302	2.1
99.04447	11.8
105.07027	31.9
107.08588	5.0
109.02937	1.3
109.06540	2.2
119.04992	1.7
119.08620	3.8
121.06483	3.2
121.10124	1.3
123.08076	2.1
125.05989	1.5
127.03906	4.5
128.06213	1.8
129.06927	1.3
131.08537	2.6
133.06502	4.5
133.10121	21.6
137.06024	2.8
143.08563	4.2
145.06628	1.4
145.10086	2.4
146.07248	1.8
147.08084	1.5
149.09674	1.3
151.07555	2.4
151.11232	2.1
161.09607	34.4
162.09964	2.1
163.11143	6.0
165.01924	1.6
171.08131	1.3
179.10706	11.0
185.04213	44.5
189.09059	12.2
189.12770	2.0
207.09927	100.0
208.10341	6.1
219.10081	1.2
225.11145	2.4
366.67786	1.2
369.15198	64.0
370.15555	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29939	0.4
56.81351	0.3
62.46845	0.4
69.03387	0.6
69.07034	0.7
69.36256	1.7
71.15932	0.4
75.04453	0.9
79.05458	0.4
85.02853	0.9
93.07009	0.5
99.04394	1.5
104.64115	0.4
105.06991	0.5
119.08547	0.5
139.07550	0.4
145.10110	0.4
153.06844	0.4
159.08008	0.9
165.06966	0.9
167.07045	0.7
167.08470	0.7
167.52473	0.4
169.06491	0.5
171.08150	0.5
173.09601	0.9
178.07709	0.7
179.08493	0.8
181.06430	1.3
181.10124	0.4
182.07239	0.8
183.07938	0.7
190.07764	0.8
191.08536	0.9
192.09277	0.9
193.06416	0.5
193.10091	1.0
194.07187	1.5
195.08041	1.9
196.05292	0.6
196.08691	0.6
197.05925	1.1
197.09598	0.7
198.06729	0.6
199.07515	0.4
202.07831	0.9
202.09802	0.6
203.08530	1.4
203.10493	0.5
204.09288	0.4
205.06519	0.7
205.10168	2.4
206.07201	0.9
207.07954	1.4
207.11636	0.5
208.08818	2.4
209.05939	1.4
209.09558	1.9
210.06693	1.5
210.10045	0.4
211.07495	2.9
212.08168	1.1
213.05478	0.5
213.09082	1.1
215.08632	0.7
217.10117	1.0
218.07260	2.3
219.08003	4.0
219.11528	0.4
220.08868	2.5
221.05960	1.6
221.09583	3.0
222.06839	2.2
222.10262	1.1
223.07568	3.7
223.11055	2.7
224.04588	0.7
224.08217	1.9
225.05460	0.7
225.09076	2.8
226.06375	0.8
226.09819	0.8
227.07002	1.9
227.10585	0.5
228.07736	0.5
231.08015	1.0
232.08797	2.0
233.05968	0.5
233.09578	6.4
234.06699	1.0
234.10371	2.8
235.07544	3.5
235.11160	4.6
236.04648	0.5
236.08313	5.9
236.11823	1.0
237.05557	2.2
237.09059	7.1
237.12703	1.6
238.06201	2.0
238.09827	2.4
239.07062	3.0
239.10599	1.7
240.04230	0.5
240.07654	1.8
240.11412	0.7
241.04916	0.6
241.08551	2.1
242.09248	0.6
245.09657	1.0
246.10349	0.9
247.07533	2.5
247.11143	1.9
248.08298	3.9
248.11874	1.2
249.05389	0.9
249.09105	10.1
249.12769	2.1
250.06175	1.6
250.09813	4.5
250.13365	0.7
251.07001	3.6
251.10667	12.5
252.07782	2.8
252.11316	4.8
253.08556	4.5
253.12109	1.5
254.05736	0.5
254.09343	3.9
255.06520	1.9
255.10101	1.9
255.13795	1.3
256.07196	1.6
257.08212	0.8
259.07559	1.0
260.08328	0.6
261.06168	0.5
261.09094	5.0
262.09830	4.7
263.07086	2.3
263.10629	13.0
264.07800	4.4
264.11380	9.8
265.05511	0.6
265.08566	12.6
265.12149	9.2
266.05655	0.9
266.09283	3.0
266.12799	2.0
267.06525	1.8
267.10110	3.6
267.13721	3.1
268.07205	1.1
268.10876	3.3
268.13748	0.7
269.08151	2.1
269.11612	1.7
270.08780	2.6
271.09622	2.2
272.10306	0.5
274.09833	0.7
275.06964	1.1
275.10593	2.8
276.08240	2.2
276.11334	2.7
277.08551	6.7
277.12161	6.4
278.06070	0.8
278.09357	3.8
278.12952	4.6
279.06741	1.5
279.10138	24.9
279.13657	5.3
280.07385	1.3
280.10867	15.7
280.14249	1.2
281.08051	3.9
281.11633	5.1
281.15234	1.5
282.08853	3.2
283.06073	1.6
283.09564	1.9
283.13251	2.5
284.07092	0.5
284.10342	1.3
285.07819	0.9
285.11182	2.7
286.08368	0.8
289.08585	1.2
290.09494	2.1
290.12573	0.6
291.06866	0.6
291.10129	16.3
291.13428	0.5
292.07404	1.6
292.10849	14.5
292.14297	1.1
293.08063	5.8
293.11658	17.0
293.14871	0.6
294.08783	2.5
294.12433	9.3
295.09689	3.4
295.13226	30.8
296.07169	0.7
296.10388	2.4
296.13806	2.3
297.07574	1.2
297.11127	2.9
298.08255	3.2
298.11655	0.7
299.09042	4.1
299.12717	1.3
300.09970	0.9
301.10562	0.8
304.10843	0.7
305.11673	5.8
306.09177	0.6
306.12457	10.4
307.09589	12.7
307.13214	8.0
308.10345	12.4
308.13992	2.8
309.07568	1.1
309.11121	9.6
309.14847	13.5
310.11862	1.1
310.15503	9.7
311.09113	1.5
311.12756	9.2
311.16318	2.9
311.66113	0.4
312.09824	1.2
312.13364	2.1
313.10699	3.9
314.11343	1.5
319.13269	0.8
321.11224	7.2
322.11954	13.1
323.12772	47.4
323.16254	3.1
324.09845	1.2
324.13367	8.9
325.10632	3.6
325.14417	1.0
326.11432	0.9
326.15033	5.9
327.12241	3.2
327.15756	1.7
328.12878	0.6
336.13501	1.0
337.14313	100.0
338.14987	40.0
339.12183	12.4
339.15863	9.4
340.12915	4.3
340.16556	0.7
341.13770	1.0
341.17419	10.0
342.17798	0.8
351.15857	1.6
352.16498	2.1
353.17529	0.6
354.14563	10.7
355.15372	23.6
369.16946	91.1
370.17636	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13356	1.7
53.03953	2.9
55.01877	6.6
55.05524	2.2
57.03439	12.5
61.02917	9.7
65.15365	1.9
69.03428	28.6
69.03763	2.1
69.07072	6.2
70.06602	3.9
71.01363	4.0
73.02912	20.3
81.03439	6.8
83.01390	1.9
83.04989	2.7
85.02905	91.9
86.03218	2.5
89.03927	1.7
91.03990	4.2
91.05476	12.2
92.01622	1.8
97.02892	31.0
97.03490	2.2
99.04474	3.1
103.03950	2.9
107.04970	3.7
109.02911	6.9
114.89426	1.8
115.03922	10.5
117.03379	3.5
119.04960	15.4
120.99593	3.6
125.06036	2.7
127.03915	22.5
129.05525	2.3
130.06523	2.0
133.02888	3.5
133.04982	16.9
137.06021	2.7
143.08514	2.8
145.03008	4.6
145.04956	33.9
147.04405	16.8
149.06107	2.8
155.08177	2.2
161.09619	2.7
162.05527	3.2
163.06041	14.0
164.07114	2.4
167.07071	2.4
167.42499	2.2
175.03888	28.1
177.05518	9.5
179.07048	2.8
182.08141	3.6
205.39063	2.3
207.06473	51.1
207.10025	2.8
231.07677	2.8
241.07101	2.0
242.61937	1.9
245.09348	2.5
273.08875	2.2
291.09735	5.1
292.09848	4.2
309.10803	3.9
351.11865	3.1
369.15369	100.0
370.15482	9.3
381.06396	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.01875	2.6
55.05495	1.8
57.03437	5.7
57.07076	1.3
58.82935	1.3
61.02924	2.1
67.05511	6.3
69.03074	1.9
69.03430	22.5
69.07063	2.6
70.06596	1.3
71.01327	1.2
71.04984	4.2
73.02940	2.1
79.05480	4.0
81.03433	7.4
81.07050	17.1
83.04984	2.3
85.02902	100.0
87.04462	1.8
89.12979	1.1
91.03966	1.0
91.05482	4.2
91.37251	1.0
93.07044	2.8
95.04967	1.5
95.08609	9.0
95.16476	1.1
97.02889	8.0
97.03407	1.2
98.23344	3.6
99.04460	8.8
103.05431	1.4
105.03405	9.1
105.07031	10.8
107.04940	2.7
107.08586	5.0
109.02856	2.2
109.06530	3.3
109.10152	24.2
111.04432	7.4
117.07006	2.4
119.08569	10.0
121.06461	2.4
121.10126	6.9
123.04451	1.3
123.08088	3.5
123.11701	70.3
124.12054	1.7
125.05988	35.4
127.03896	9.8
130.07784	1.2
131.08575	3.0
133.06493	2.2
133.10117	3.8
135.08061	1.6
137.05978	2.2
137.09630	1.4
139.07516	8.9
143.08546	2.5
145.04979	2.4
145.10112	6.5
147.08028	4.0
147.11713	13.1
149.09598	7.9
151.07533	11.1
156.09438	2.7
159.08057	1.8
161.09618	3.7
161.13284	2.3
163.11156	2.0
165.07036	1.3
165.12712	1.5
169.08580	1.3
171.11725	3.4
174.10406	2.5
176.07169	1.3
179.07027	2.8
179.10756	2.0
189.09084	1.8
189.12737	28.5
190.13124	1.5
191.14427	2.5
207.13800	84.1
208.14093	2.9
222.02667	1.1
225.14844	41.2
226.15251	2.1
249.07671	1.1
287.11273	1.4
288.17120	1.3
296.09213	4.6
322.90298	1.2
333.16971	7.9
351.17950	11.5
369.06097	4.6
369.14957	5.2
369.19073	58.4
370.09198	4.7
370.19461	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01876	2.8
55.05504	4.3
57.03441	3.4
61.02918	2.9
64.84171	1.6
67.05500	2.3
69.03427	14.8
69.36689	5.0
69.37112	4.6
79.05469	2.8
81.03420	4.5
81.07058	3.6
83.04975	7.2
85.02906	20.7
91.05470	6.3
93.07039	4.5
95.04982	6.5
97.02875	6.9
97.06550	2.0
98.12592	1.4
99.57092	1.5
104.59386	1.9
105.07021	13.9
107.08589	6.3
109.02847	3.4
109.06511	5.5
109.10148	3.4
111.04439	1.3
117.07036	1.8
119.08579	11.2
121.06506	5.3
121.10158	6.5
123.04456	1.6
123.08025	1.9
123.11669	1.9
127.03895	3.9
131.08540	2.8
133.06477	2.8
133.10123	17.4
135.08049	3.5
137.05988	2.1
137.09605	4.0
143.08598	3.0
145.04965	5.5
145.10097	7.7
146.07202	1.6
147.04425	1.7
147.08087	4.5
147.11682	5.5
149.09616	21.6
151.03828	2.0
151.07594	2.1
151.11179	45.6
152.11496	1.8
156.09340	4.7
159.08040	6.7
160.08876	2.3
161.09657	8.0
161.13257	7.4
163.11195	13.7
171.11707	5.6
174.10414	21.8
179.10640	15.1
184.27802	1.8
187.11119	2.6
189.12749	53.3
190.13118	2.3
191.14281	35.3
197.08150	1.7
203.05290	2.2
204.80234	1.5
205.12201	3.5
207.06358	3.6
207.09976	6.6
207.13811	41.7
208.14214	2.0
232.81638	1.4
308.77939	1.3
321.91089	1.9
351.18250	1.8
369.15210	100.0
369.18558	4.2
370.15549	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	11.7
56.96563	48.6
67.05523	3.0
71.31197	3.2
71.95269	6.3
72.96050	3.4
79.05516	3.4
81.07073	5.0
83.08618	5.4
91.05510	6.3
93.07059	4.4
95.08636	4.5
98.97598	4.9
101.97320	2.4
102.21360	2.3
105.07091	3.3
107.08659	2.4
110.97598	3.5
116.98650	3.1
119.08562	4.3
121.06487	3.8
121.10192	2.4
127.00725	2.7
128.98647	5.7
131.08627	6.1
133.10243	2.8
135.04517	2.4
137.06004	5.8
143.08540	2.3
146.99689	3.0
155.03877	3.5
155.08553	4.4
170.85385	2.4
171.03380	2.7
173.04962	4.2
176.63576	2.4
183.03323	2.7
185.04965	4.0
188.73091	2.5
197.05035	3.0
199.06581	8.5
200.23831	2.6
201.08203	2.6
203.05963	3.3
211.06566	5.8
213.07932	17.3
217.07397	11.7
221.40678	2.3
225.08044	4.2
229.07478	30.0
231.09067	23.2
239.05954	2.9
239.09659	6.6
241.11243	9.0
243.09015	4.6
247.08566	23.5
249.09259	3.0
251.09636	7.7
255.09186	3.1
257.10657	4.2
259.12305	11.6
269.10590	54.2
269.13214	4.4
271.57458	2.5
273.10126	3.3
277.08444	2.5
279.10278	5.5
287.11676	18.1
291.10187	4.2
308.10629	2.7
309.11359	2.9
309.14563	4.5
315.16422	2.7
323.12936	7.5
323.18878	3.0
333.17471	21.9
337.14301	13.6
338.15222	7.0
351.18503	42.3
351.22635	2.1
352.18991	3.8
355.15530	4.4
369.12991	5.8
369.19711	100.0
370.19833	5.3
374.20227	3.0
387.20541	77.8
388.20950	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02343	2.3
53.03920	4.7
55.01866	6.4
55.05510	27.8
57.03426	2.8
57.07058	2.5
59.04976	2.3
65.03945	5.8
67.05503	46.5
68.05822	1.4
69.03434	10.8
69.07060	11.1
69.07832	7.2
69.08254	4.4
71.01326	1.7
71.04964	2.4
71.41178	1.1
77.03902	1.6
79.05495	27.2
80.05783	1.4
81.03404	3.0
81.07057	32.8
83.04978	39.9
83.08584	4.5
85.02841	1.3
85.06517	1.3
90.50557	1.3
91.05475	52.1
92.05801	1.3
93.07040	70.4
94.07318	2.3
95.04967	21.5
95.08601	100.0
96.08894	3.3
97.02847	1.7
97.06524	11.1
97.10160	2.5
99.04412	3.8
103.05425	4.9
105.03403	10.2
105.04482	2.2
105.07026	78.8
106.07319	2.6
106.69987	1.1
107.04870	4.5
107.08595	44.5
108.08856	1.3
108.19439	1.0
109.02842	1.9
109.06511	15.4
109.10146	20.3
111.04441	33.5
111.08083	25.7
112.04749	1.1
113.05923	5.0
115.05444	11.7
116.06189	3.2
117.07006	22.2
119.04890	3.6
119.08572	76.8
120.08784	2.7
121.06516	17.6
121.10140	33.8
123.04433	20.9
123.08062	27.9
123.11651	4.1
124.08354	1.1
125.05939	2.8
125.09549	3.3
128.06197	15.7
129.07008	29.0
130.07785	6.0
131.04817	1.5
131.08568	58.2
132.05678	2.9
132.08826	1.8
133.06511	11.2
133.10124	70.5
134.10390	2.1
135.07111	1.6
135.08040	22.4
135.11674	14.6
137.05978	9.7
137.09540	3.7
137.13179	1.6
139.07545	17.4
140.07750	1.2
141.06966	18.9
141.09105	8.1
142.07774	28.7
143.04852	1.6
143.08560	57.5
144.05629	1.7
144.09381	9.0
145.06499	17.2
145.10121	55.9
146.07216	2.7
146.10374	1.6
147.04332	1.8
147.08040	35.3
147.11696	17.1
148.08345	1.6
149.05922	3.2
149.09587	9.2
149.13165	3.6
151.07448	3.6
152.06169	2.6
153.06978	10.7
153.09023	2.0
154.07750	6.1
155.05888	2.3
155.08542	35.9
156.09340	14.1
157.06552	6.3
157.10118	86.9
158.07219	5.6
158.10773	7.2
159.08052	22.9
159.11687	74.2
159.13623	1.7
160.05147	1.6
160.08711	2.8
160.12152	4.9
161.06020	7.1
161.09618	27.9
161.13249	8.7
162.09869	1.3
163.07513	11.1
163.11183	14.3
163.14716	1.3
165.07019	8.9
166.07652	5.5
167.08540	15.0
167.10622	3.3
168.09346	24.6
169.06374	3.0
169.10120	30.5
170.10922	11.3
171.08009	9.7
171.11696	33.4
172.08684	5.4
172.10115	1.3
172.12160	4.3
173.05977	8.3
173.09642	22.7
173.13257	34.6
174.06584	2.8
174.10110	4.0
174.13493	2.1
175.07545	33.7
175.11140	12.7
175.14650	2.8
176.07768	1.4
177.08978	5.0
177.12701	1.9
178.07645	3.0
179.08557	11.7
179.10468	3.7
180.09160	4.9
181.06378	4.8
181.10118	18.4
181.11865	2.1
182.07076	2.0
182.10899	8.4
183.08182	5.7
183.11684	94.0
184.08739	2.4
184.12358	10.4
185.09702	14.0
185.13245	60.8
186.10191	3.6
186.13695	5.7
187.07538	22.1
187.11191	18.0
187.14767	8.7
188.08186	1.6
189.09103	24.0
189.12730	14.9
191.08459	3.8
191.10576	4.0
192.09221	2.4
193.10086	11.4
194.03481	1.9
194.10924	7.6
195.08046	8.8
195.11682	17.2
196.05000	1.5
196.08681	4.5
196.12399	5.6
197.09613	8.8
197.13255	16.4
198.10123	3.6
198.13828	5.4
199.07420	3.5
199.11192	17.9
199.12865	2.6
199.14824	17.4
200.08113	1.8
200.11623	3.4
200.15198	2.2
201.09099	21.3
201.12735	40.4
201.15987	3.3
202.12970	3.8
203.08589	1.9
203.10522	4.5
203.14125	1.9
205.10022	2.9
206.10806	2.9
207.07953	2.9
207.09991	3.8
207.11827	7.3
207.13554	1.8
208.04980	1.8
208.08609	3.6
208.12273	3.5
209.05815	4.6
209.09692	8.7
209.13239	21.5
210.06583	1.7
210.10191	3.2
210.13724	3.6
211.07553	2.4
211.11192	25.6
211.14774	16.0
212.04552	1.5
212.11646	4.8
212.15364	1.4
213.09155	7.0
213.12737	16.5
213.16318	9.5
214.09680	3.0
214.13263	2.1
215.10677	7.5
215.14119	4.7
217.12085	2.5
218.10835	1.5
219.07866	1.2
219.11458	3.5
219.13635	2.6
220.12305	1.6
221.09531	2.4
221.13272	6.2
222.10193	2.3
223.07356	5.4
223.11171	7.5
223.14648	8.8
223.16759	2.3
224.04613	2.8
224.15558	7.5
225.05231	3.7
225.08899	4.2
225.12752	11.5
225.16299	7.6
226.06026	2.0
226.09671	2.5
226.13168	2.0
226.17026	5.1
227.06955	2.7
227.10730	12.3
227.14258	25.4
227.17799	2.8
228.07549	1.5
228.11206	3.3
228.14569	4.2
229.12228	58.1
229.15610	7.9
230.12552	3.0
231.11545	3.0
231.13687	5.5
231.17297	1.7
232.12169	1.5
233.05849	1.6
233.09351	2.5
233.12981	3.4
233.15192	2.1
234.06461	1.6
234.10172	1.6
234.13760	1.9
235.07330	2.0
235.11093	2.1
235.14679	4.6
236.08075	1.9
237.05252	5.4
237.08804	2.4
237.12700	8.1
237.16251	2.6
238.06081	2.9
239.06812	3.1
239.10461	3.3
239.14307	6.1
239.17836	1.6
240.07307	1.3
240.11238	1.8
241.04742	2.6
241.12259	7.4
241.15654	3.9
242.10667	1.5
242.16437	4.5
243.13632	4.1
244.12257	1.6
245.13025	2.4
245.15273	2.9
247.10933	2.0
247.14671	3.1
247.16762	3.1
248.07983	1.6
248.11923	1.9
249.05284	3.0
249.09137	2.2
249.12535	3.9
249.16162	5.2
249.18442	1.4
250.06073	3.4
251.03268	2.4
251.06812	5.3
251.10291	2.3
251.14070	5.1
251.17836	2.0
252.04176	18.6
252.06834	2.4
252.07642	2.1
252.14822	3.4
253.04623	5.4
253.08470	2.4
253.12164	6.1
253.15733	3.4
254.05461	2.2
255.13791	28.9
257.15170	4.4
261.16187	1.7
262.13095	1.6
263.06845	2.5
263.14157	3.2
263.17719	1.9
264.07571	4.2
265.04767	7.5
265.07697	2.8
265.15677	4.7
266.05505	8.7
266.08496	2.1
267.04126	1.2
267.06473	15.8
267.13760	3.1
267.17288	2.9
267.20297	1.4
269.04205	4.3
269.07770	3.7
269.15204	4.4
270.15918	4.7
272.15332	1.7
277.04803	1.7
277.08139	3.0
277.15738	3.5
277.19318	5.1
278.09341	1.3
279.06274	6.0
279.09811	3.6
279.17236	3.4
279.20773	2.0
280.03418	7.3
280.06805	3.0
280.10071	2.0
281.04178	14.6
281.07727	8.4
281.15021	1.6
281.18793	1.9
282.04813	2.7
282.09091	1.4
283.05795	2.7
283.16830	2.5
287.17752	2.0
289.15479	1.4
289.18896	1.4
291.06290	2.1
291.13745	1.6
291.17087	1.8
292.06851	1.7
293.07663	2.7
294.05042	2.9
294.08426	2.9
295.06027	45.4
295.09229	5.5
295.16705	4.3
295.20313	9.7
296.06754	44.0
296.09940	1.9
297.03976	2.7
297.07114	10.6
297.10626	2.1
297.18652	6.6
298.04361	1.5
298.07715	1.6
299.08487	1.5
299.19748	5.5
305.15881	1.5
305.18933	13.4
306.08514	2.0
306.19284	1.6
307.05869	1.6
307.09329	6.6
307.17050	2.5
307.20316	6.0
308.06277	1.8
308.09573	3.3
309.07248	8.1
309.10706	3.2
309.18396	2.0
309.21695	1.6
310.08282	8.0
311.05154	7.8
311.08710	6.5
311.17468	1.4
312.06122	6.1
313.06784	2.5
313.21457	2.5
322.08099	3.0
323.05084	2.8
323.06256	1.7
323.08530	8.3
323.20013	72.3
324.09393	1.4
324.20319	5.6
325.06750	5.5
325.18234	2.1
325.21603	14.7
326.07516	4.3
327.08594	35.4
328.08731	4.0
333.18481	11.2
337.06720	3.2
337.10309	8.1
338.07333	3.9
338.11038	7.7
339.04620	2.2
339.08224	3.5
339.11441	3.6
341.13974	2.7
341.21103	34.2
342.20981	3.0
351.08380	2.0
351.19485	47.8
351.23532	3.3
352.19601	5.3
354.10629	2.5
355.08075	8.9
369.09329	29.4
369.12820	14.2
369.20306	87.4
369.27805	6.6
370.09998	9.4
370.14056	1.9
370.20499	7.1
378.83234	1.4
387.21527	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00333	2.1
62.76083	2.4
69.07057	5.4
70.79864	5.4
81.07028	2.5
83.04949	2.8
83.08609	2.5
85.02898	3.5
86.09689	4.6
91.05466	3.3
93.07036	4.4
98.97561	3.7
107.08617	5.1
109.10198	4.3
123.04407	4.2
125.00004	5.0
133.02815	4.3
135.11703	8.1
136.07561	5.7
139.03871	5.2
153.12749	6.0
157.61147	2.5
162.05553	2.6
164.07047	9.8
177.05371	4.8
179.03336	6.4
182.08095	5.6
207.06377	2.9
207.10059	2.6
235.02454	2.5
292.31046	2.3
304.62793	2.4
308.10104	2.5
323.81116	2.5
331.01508	2.6
351.14438	2.6
354.87622	2.8
369.15155	100.0
370.15512	9.9
370.19788	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2425
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
53.03954	1.2
55.01872	2.3
55.05510	6.6
57.03437	1.3
57.07069	0.8
59.53709	0.4
65.03941	1.7
65.81361	0.4
67.05505	15.8
68.05823	0.4
69.03108	0.4
69.03432	2.6
69.07068	4.7
71.04993	3.7
75.04461	0.5
76.23943	0.4
79.05492	9.0
80.05835	0.5
81.03376	0.5
81.06577	0.7
81.07053	12.5
82.07409	0.5
83.04976	5.3
83.08604	2.6
85.06547	7.0
91.05476	14.4
92.05805	0.7
93.07045	23.5
94.07368	0.8
95.04973	5.4
95.08604	34.0
96.08954	1.1
97.06527	5.6
97.10179	1.1
99.04475	0.7
103.05469	1.3
105.04514	0.4
105.07026	26.8
106.07319	0.6
107.04936	1.3
107.08594	17.6
109.06509	3.3
109.10154	7.5
111.04453	3.5
111.08083	7.3
113.05990	1.7
115.05426	2.4
115.76936	0.4
116.06246	0.8
117.07016	8.3
119.00123	0.4
119.04926	0.4
119.08580	22.3
120.08912	0.8
121.06509	5.3
121.10147	9.5
123.08069	13.8
123.11718	1.3
125.09600	2.2
128.06223	4.0
129.06996	12.1
130.07852	2.2
131.08568	13.4
132.05722	0.7
133.06464	1.1
133.10127	16.8
134.10455	0.8
135.08058	3.8
135.11699	6.7
137.05966	0.9
137.09613	2.9
137.13239	0.7
139.07533	2.2
141.06981	3.4
141.09087	2.3
142.07774	6.6
143.08563	18.5
144.09363	2.1
145.06551	1.9
145.10115	24.7
146.07274	0.8
146.10651	0.9
147.08061	5.0
147.11684	14.2
148.11998	0.7
149.09601	4.5
149.13271	1.9
151.11122	0.9
153.07033	1.1
154.07767	1.6
155.08534	10.5
156.09340	5.3
157.10129	15.7
158.07249	0.8
158.10727	1.6
159.08083	3.0
159.11690	17.8
160.08812	1.6
160.12161	0.9
161.09608	12.2
161.13255	7.5
162.10265	0.4
163.11172	12.9
163.14775	0.6
165.07022	1.3
166.07770	0.9
167.08566	2.4
168.09315	2.3
169.10124	16.3
170.10934	2.2
171.08032	1.3
171.11687	20.2
172.08875	1.0
172.12213	1.6
173.09622	7.4
173.13252	10.0
174.10361	1.3
174.13622	0.5
175.11180	25.7
175.14685	0.9
176.11656	1.3
177.12723	1.6
179.08578	1.8
179.10683	1.6
180.09326	0.9
181.10112	4.4
182.10941	3.2
183.11687	12.1
184.12347	1.9
185.09659	1.8
185.13264	7.2
186.10356	0.6
186.13673	0.7
187.11174	12.2
187.14825	2.8
188.11824	1.3
188.25197	0.4
189.12735	19.1
190.13263	1.5
191.10663	0.5
191.14288	4.8
192.09291	0.8
193.10121	2.2
194.10921	2.3
195.11684	5.0
196.12453	5.6
197.09534	0.7
197.13240	8.5
198.13734	0.6
199.11180	3.3
199.14828	5.7
200.11932	0.9
200.15193	0.4
201.12741	8.0
201.16379	2.8
202.13254	0.7
203.14308	1.5
205.10080	0.7
206.10892	0.5
207.10051	0.6
207.11723	3.0
207.13852	1.2
208.12465	1.8
209.09430	0.4
209.13243	7.2
210.13918	1.5
211.11269	1.2
211.14804	24.1
212.11942	1.0
212.15294	2.0
213.12779	4.4
213.16310	3.7
214.13481	1.3
215.14336	4.4
219.11681	0.9
220.12363	0.8
221.13298	2.5
222.10483	0.4
222.14011	0.8
223.11194	0.6
223.14728	3.3
224.15533	1.1
225.12755	2.5
225.16339	2.0
226.13501	0.9
227.14276	9.6
227.17947	1.3
228.14993	4.4
229.15874	32.9
230.16220	2.8
231.17477	1.6
233.13214	1.3
234.14099	0.5
235.14746	2.5
237.12650	0.5
237.16379	4.2
238.17007	0.6
239.14357	3.0
239.17906	1.5
241.15851	5.7
242.16463	1.2
243.17453	0.7
247.14908	1.3
249.12874	0.4
249.16307	2.3
251.06688	0.5
251.18140	0.7
252.18675	1.1
253.15860	4.7
253.19511	1.2
255.13553	0.7
255.17435	15.8
256.17853	1.8
257.18976	1.2
261.16489	0.7
263.14432	0.6
263.17966	1.5
265.15964	1.1
265.19543	1.4
267.06519	0.6
267.17343	2.1
269.15457	0.4
269.16495	0.5
269.18988	3.0
270.19775	1.3
275.17935	0.8
277.15814	1.3
277.19485	0.9
279.21027	0.4
281.19180	0.9
291.17462	1.0
293.19022	3.7
295.09589	0.5
295.17297	0.6
295.20554	1.8
295.23743	0.6
296.06979	0.5
297.07657	0.9
297.10809	0.5
305.19272	0.7
305.22681	2.4
307.09546	0.5
311.08896	1.1
311.19989	2.2
312.09940	1.4
315.21021	0.9
323.09396	0.6
323.20154	0.7
323.23682	9.8
324.24023	0.9
326.11383	0.5
327.12268	1.9
333.22122	7.7
338.11362	0.6
351.23169	31.8
352.23477	3.7
354.10645	0.9
369.14261	2.6
369.24207	100.0
370.13666	0.6
370.24518	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79179	0.8
53.03938	1.3
55.01867	1.6
55.05515	7.5
57.03431	0.9
57.07071	1.7
57.50813	0.8
61.33129	0.7
62.39713	0.7
65.03931	1.0
67.05505	10.8
69.03426	1.9
69.07056	4.1
70.34627	2.0
70.34976	1.2
71.04984	2.7
79.05492	6.9
81.07053	10.4
83.04986	4.4
83.08640	2.2
85.06550	6.5
91.05477	9.9
93.07047	20.3
94.07359	0.9
95.04984	4.2
95.08609	26.6
96.08946	1.0
97.06544	4.1
99.08108	1.1
103.05447	1.1
105.07035	20.5
107.04969	1.9
107.08594	15.7
109.06518	3.3
109.10168	6.2
111.04454	3.4
111.08089	5.6
113.05997	0.9
115.05480	1.1
117.07027	5.0
119.08579	18.6
121.06528	4.1
121.10136	8.2
123.08078	12.2
123.11741	1.4
125.09627	1.9
128.06184	1.6
129.06992	9.4
130.07823	1.7
131.08577	13.4
133.10144	15.3
135.08057	2.9
135.11714	4.5
137.09605	1.4
139.07509	1.3
141.07025	2.5
141.09099	1.6
141.36154	0.9
142.07777	3.9
143.08568	15.3
144.09331	1.3
145.06432	1.0
145.10130	20.4
145.22560	0.8
147.08063	4.0
147.11687	13.1
149.09601	2.4
149.13222	1.7
154.07748	2.1
155.08560	9.6
156.09332	4.1
157.10124	15.0
159.08057	2.6
159.11691	14.3
160.08775	1.2
160.12100	1.2
161.09613	7.2
161.13271	5.9
163.11189	13.6
165.06937	1.1
167.08583	2.7
168.09366	1.6
169.10127	13.4
170.10739	2.1
171.08086	1.1
171.11691	16.3
172.12204	1.3
173.09665	5.7
173.13280	7.8
174.10355	0.9
175.11203	20.9
177.12729	2.0
179.08603	1.8
179.10683	2.0
180.09364	1.0
181.06425	1.2
181.10114	3.8
182.10800	2.1
183.11678	9.0
184.12534	2.2
185.09682	1.7
185.13298	6.7
187.11189	9.5
187.14867	1.6
188.11896	1.0
189.12749	15.3
189.14349	1.2
190.13254	1.0
191.14310	2.7
192.09303	1.2
193.10115	1.6
194.10977	1.7
195.11703	3.6
196.12473	3.1
197.05997	1.0
197.09686	0.9
197.13210	7.2
198.13710	1.3
199.11159	2.5
199.14838	4.0
201.12688	5.9
201.16335	2.6
203.14322	1.6
207.10083	1.1
207.11829	2.0
207.13799	1.7
208.12421	0.9
209.13239	6.3
210.13898	1.1
211.11508	1.0
211.14832	18.3
212.15334	1.8
213.12755	2.9
213.16357	2.5
214.13469	1.3
215.14337	3.9
219.07999	1.1
220.08714	1.2
221.09596	1.9
221.13231	1.7
222.06613	1.0
223.07436	1.3
223.11241	1.2
223.14854	2.3
225.12732	2.6
225.16252	1.2
227.14317	9.5
227.17734	1.0
228.14914	2.5
229.15868	27.5
230.16225	2.5
231.17453	1.6
233.09711	2.0
233.13258	1.6
234.10283	1.1
235.07584	2.0
235.11186	2.1
235.14870	1.0
236.08307	1.5
237.09090	2.7
237.16335	3.1
238.06219	1.1
239.14305	2.8
239.18004	1.9
241.08557	1.5
241.15959	4.2
243.17526	1.0
247.07619	1.5
248.08240	2.0
249.09158	3.7
249.12744	1.3
250.06371	1.3
250.09837	1.7
251.07018	1.3
251.10669	3.7
252.11487	1.5
253.08549	2.4
253.15932	3.5
254.09270	1.8
255.17458	13.2
256.17819	2.1
261.09079	1.1
262.09924	1.8
263.07172	1.5
263.10593	4.0
263.18063	1.2
264.07874	1.9
264.11404	3.0
265.08560	3.5
265.12256	2.5
265.19547	1.7
266.09171	1.2
267.17252	1.9
269.08032	1.1
269.18936	2.9
270.19751	1.6
275.10574	1.0
276.07816	1.3
277.08621	2.9
278.09528	1.4
278.12958	2.2
279.10211	9.6
279.13455	1.7
280.07678	1.1
280.10724	4.6
281.08118	1.3
281.11545	1.7
282.08569	1.3
285.11301	1.2
291.10208	5.5
292.10876	3.6
293.08105	2.8
293.11792	4.1
293.18973	2.5
294.12393	2.9
295.09891	2.1
295.13263	9.9
295.16559	1.5
295.20456	1.8
296.10318	1.9
297.07471	1.1
297.10938	1.0
298.08176	1.2
299.09039	1.1
305.11676	1.6
305.22672	1.3
306.12323	4.2
307.09686	5.9
307.13251	2.8
308.10367	4.4
308.13647	1.4
309.07803	1.0
309.11121	3.8
309.14865	4.9
310.15585	2.8
311.09146	1.4
311.12772	2.4
311.20087	2.1
313.10669	2.0
315.57208	1.1
321.11200	2.4
322.11990	4.0
323.12753	16.0
323.23648	10.7
324.09698	1.0
324.13336	3.2
326.15085	2.7
327.12204	1.3
333.22037	8.0
337.10846	1.4
337.14319	27.4
338.11383	1.0
338.15051	11.7
339.12161	4.9
339.15958	2.4
341.17352	4.5
351.16287	1.3
351.23163	33.5
352.23468	3.5
354.14471	5.1
355.15405	6.9
369.13382	2.6
369.17230	26.9
369.24219	100.0
370.17636	10.6
370.24588	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2424
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
50.45333	0.8
53.03944	2.1
55.01868	2.1
55.05508	6.7
56.88451	0.7
59.04994	2.8
65.03943	1.1
67.05186	0.9
67.05508	11.1
68.54385	0.8
69.03440	1.2
69.07063	4.6
69.21290	5.0
69.21698	2.7
71.04978	2.8
71.08608	1.0
79.05492	9.3
81.07053	12.8
83.04953	4.3
83.08650	1.8
85.06559	5.0
87.04463	1.8
87.54315	0.8
91.04951	1.6
91.05473	14.2
93.07044	18.6
95.04977	4.6
95.08601	27.0
97.06538	4.7
97.10143	0.8
99.08115	0.8
104.06262	1.5
105.07026	20.9
107.08590	15.3
109.06529	5.9
109.10162	7.3
111.04480	2.2
111.08042	5.5
113.06026	2.0
115.03918	1.4
115.05437	2.3
117.07001	9.0
119.04940	3.2
119.08574	19.7
120.08888	0.8
121.06478	5.4
121.10147	8.1
123.08062	11.8
123.11678	0.9
125.09645	2.0
127.67903	0.9
128.06206	3.0
129.06996	9.1
130.07739	2.0
131.08578	11.6
132.05714	8.2
133.06511	1.8
133.10118	13.2
135.08057	3.8
135.11676	5.2
137.09624	3.2
137.13142	0.8
139.07568	2.4
139.11133	1.3
141.06984	2.3
141.09140	2.2
142.07785	4.0
142.68919	0.9
143.08563	14.5
144.09326	1.3
145.06512	1.1
145.10117	19.3
147.08047	7.2
147.11674	11.5
149.05969	1.3
149.09621	3.2
149.13277	2.0
153.06970	1.0
154.07770	1.7
155.08557	9.2
156.09367	4.4
157.10126	12.2
159.08083	2.8
159.11694	13.8
160.11984	1.2
161.09642	10.6
161.13254	6.1
163.11150	9.3
165.07083	0.9
165.12735	3.1
167.07129	0.9
167.08540	2.4
168.09334	1.4
169.10136	12.6
170.10823	0.9
171.11688	14.2
172.12004	1.4
173.09578	6.6
173.13246	6.7
175.03804	1.1
175.07588	2.0
175.11205	21.7
176.11719	1.1
177.12773	2.9
179.08516	2.1
179.10654	3.3
181.10146	4.0
181.15930	1.1
182.10838	1.6
183.11691	10.2
184.12384	2.0
185.00699	0.9
185.09674	1.6
185.13222	7.2
187.11176	8.8
188.11780	1.1
189.09087	1.2
189.12732	13.9
191.14322	3.6
193.10149	2.1
194.07283	1.3
194.10977	1.3
194.44266	1.0
195.08006	1.8
195.11681	3.6
196.12527	3.4
197.13237	6.6
199.11218	2.8
199.14835	2.7
201.12737	7.2
201.16504	2.4
202.13350	1.2
203.10751	1.3
203.14334	1.9
207.10141	18.9
207.11757	1.3
208.08759	1.3
208.10536	1.6
209.09666	1.0
209.13260	4.8
210.10471	1.1
210.13977	1.8
211.14798	18.1
212.15346	1.9
213.12825	4.4
213.16389	3.7
215.14270	5.1
219.08063	1.5
221.13144	1.4
223.07494	1.3
223.14789	1.5
225.05511	1.8
225.12778	2.4
225.16333	1.3
226.06128	1.0
227.06961	1.5
227.14294	8.2
228.15041	2.8
229.15866	25.9
230.16298	1.9
231.17448	1.6
235.07506	2.0
235.14694	1.2
236.08185	1.5
237.05429	2.8
237.09045	3.4
237.12781	1.3
237.16409	3.5
238.06229	2.0
239.06992	1.3
239.14307	2.5
239.18095	1.3
240.07678	1.1
241.04973	1.3
241.15869	5.3
249.05579	1.4
249.09006	1.2
249.16341	1.3
250.05981	2.2
251.03381	1.5
251.06946	4.5
252.04251	2.4
252.07829	2.8
253.04936	1.3
253.08611	3.9
253.15939	3.2
255.06473	2.6
255.17424	12.1
256.17877	1.5
257.19226	1.1
261.22232	1.1
263.07001	3.8
263.17871	1.3
264.07794	3.5
265.05020	3.0
265.08591	3.9
265.19543	1.5
266.05664	3.2
266.09271	1.8
267.06500	2.5
267.10193	1.4
267.17438	1.6
268.07458	1.8
268.10587	1.1
269.19061	3.1
270.19803	1.8
277.08658	2.5
277.15860	1.0
279.06531	7.7
279.10120	2.5
279.23242	1.0
280.07260	8.2
281.04865	1.5
281.08096	6.9
282.08902	2.2
283.06015	1.4
283.09418	1.5
289.21655	3.4
291.17380	1.3
293.08310	1.9
293.19052	3.4
294.08786	4.8
295.06058	2.3
295.09579	13.3
295.20621	1.8
296.06696	4.0
296.09952	1.6
297.07584	5.0
297.10739	1.6
305.08185	1.5
305.19241	1.1
305.22656	2.7
307.06015	1.3
307.09592	2.8
308.10239	2.1
309.07532	2.7
309.11090	2.5
309.22238	1.1
310.08255	2.1
311.09128	7.8
311.12552	1.4
311.19946	1.5
312.09753	2.4
322.08337	3.1
323.09131	5.1
323.23682	11.0
324.09845	1.5
325.07098	1.1
325.10684	1.6
326.11264	2.1
327.08658	1.3
327.12155	4.5
333.21616	4.5
337.10663	7.9
338.11349	3.6
339.08282	2.8
339.12259	4.6
351.12225	2.1
351.22928	31.8
352.23563	3.1
354.10770	3.0
369.09677	1.7
369.13531	24.8
369.24225	100.0
370.13763	2.8
370.24536	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	9.3
55.05515	20.6
57.94410	2.6
59.05003	7.1
65.03950	4.1
67.05510	23.6
69.03439	5.4
69.07081	15.2
71.05004	7.0
71.30772	4.3
75.04461	4.3
79.05499	19.6
80.57456	2.8
81.07066	24.1
83.04977	9.1
83.08628	8.9
91.05493	34.3
93.07059	33.1
95.04980	7.2
95.08608	48.0
97.02889	5.8
97.06533	12.0
99.08094	3.7
100.66232	2.9
103.05462	5.6
104.06235	5.2
105.07038	37.2
107.04959	4.9
107.08600	27.2
109.06498	16.8
109.10169	18.3
111.04450	4.6
111.08131	4.9
115.03935	4.5
115.05463	9.6
117.07008	17.4
119.04935	19.0
119.08588	42.6
121.06522	11.2
121.10155	25.1
123.04417	3.6
123.08067	10.5
123.11702	5.4
125.06013	10.5
128.06226	9.8
129.07034	11.3
130.07785	3.3
131.04939	5.1
131.08582	35.9
132.05698	36.7
133.06502	8.2
133.10126	33.1
135.08063	8.7
135.11707	10.7
135.90364	2.6
137.06026	4.7
139.07582	3.9
139.13284	2.5
141.06981	13.7
142.07787	15.8
143.04955	4.1
143.08603	34.1
144.09296	4.1
145.06525	6.4
145.10118	35.0
147.04492	3.3
147.08054	21.4
147.11699	32.0
148.70049	2.9
149.06006	5.2
149.13264	3.8
151.07561	3.4
152.06262	3.1
153.06989	3.4
154.07819	4.7
155.08546	18.2
156.09378	13.8
157.10136	38.7
158.10707	4.2
159.08076	10.7
159.11696	30.3
160.05182	3.7
161.06027	4.6
161.09622	8.6
161.13257	9.9
163.11194	5.1
163.37210	3.6
165.07024	10.6
166.07730	4.9
167.08591	13.1
168.09352	5.1
169.06511	3.6
169.10136	32.6
170.10896	11.0
171.08075	6.3
171.11682	27.4
172.08862	3.6
172.12201	3.9
173.09720	7.3
173.13232	20.5
175.07576	6.9
175.11218	8.5
177.12738	3.4
178.07780	4.5
179.08548	13.1
179.10666	11.1
180.09363	4.0
181.06497	5.9
181.10139	11.7
182.07213	3.8
182.10941	9.7
183.08018	6.2
183.11688	28.4
184.12495	9.3
185.09706	7.7
185.13271	65.0
186.13724	4.8
187.11220	9.6
187.14828	30.6
189.09135	5.0
189.12808	3.3
190.07658	3.5
191.08604	4.3
192.07835	4.0
192.09430	4.2
193.10173	12.5
194.07164	4.3
194.11028	6.4
195.08070	9.3
195.11708	23.7
196.12401	5.8
197.09633	10.2
197.13271	30.2
199.07538	5.7
199.11189	3.0
199.14847	46.1
200.15538	8.2
201.09210	4.9
201.12704	4.7
201.16359	13.4
203.14294	4.3
205.10039	3.9
206.10936	4.2
207.08205	6.3
207.10112	69.8
207.11719	8.7
208.10660	3.6
208.12553	4.6
209.09633	8.9
209.13303	12.5
210.14000	5.1
211.07533	7.4
211.11177	8.0
211.14816	31.0
212.15392	2.9
213.09044	3.9
213.12659	7.9
213.16449	9.3
214.16632	3.6
219.08037	5.9
220.12381	4.3
221.06055	3.5
221.09682	4.9
221.13266	10.5
223.07565	6.9
223.11244	4.0
223.14743	13.9
224.08336	4.1
224.15573	4.4
225.09090	13.0
225.16406	12.7
226.09708	3.2
226.17154	11.2
227.10663	6.3
227.14275	6.3
227.17804	3.5
229.15939	7.5
231.11633	5.6
231.13739	3.5
233.13234	5.3
235.07692	4.2
235.11154	3.5
235.14880	7.1
237.05388	7.7
237.09126	7.9
237.16409	11.1
238.06154	3.0
239.03438	3.8
239.06949	5.0
239.10658	12.4
239.14355	5.8
239.18080	5.0
240.11240	3.1
241.15868	5.3
242.16675	3.1
243.17487	11.7
245.09503	3.7
247.11192	3.8
249.16431	10.1
250.06221	6.2
251.07043	9.9
251.10710	5.5
251.14357	3.9
251.17957	4.8
252.04150	7.0
252.07695	6.7
253.05023	4.0
253.08592	4.9
253.12343	6.2
253.15878	5.3
253.19554	5.0
255.06453	6.0
255.17438	6.7
255.21143	8.3
259.14774	3.8
263.07059	12.7
263.18100	5.7
264.07834	11.9
265.04971	8.5
265.08609	16.2
265.15735	4.5
266.05740	9.1
267.06427	7.9
267.14008	5.6
267.21210	9.3
269.04233	3.2
269.15582	3.9
271.17032	3.9
273.16409	4.2
277.08594	4.0
278.09344	3.2
279.06500	16.7
279.09875	7.1
279.13821	9.0
280.07205	21.1
281.04681	4.5
281.08057	17.1
281.15564	6.1
281.18973	11.4
282.08557	3.9
283.06097	4.4
283.16968	14.4
291.17468	3.8
293.08078	5.5
293.15405	9.9
294.08899	14.0
295.06146	7.1
295.09671	33.9
295.17078	6.6
296.06787	13.5
296.10266	8.0
297.07471	16.3
305.08054	4.1
305.22696	5.6
307.09610	5.1
307.24283	4.6
308.17847	14.5
309.07861	3.8
309.11319	7.9
309.18616	42.4
309.21915	4.1
310.08310	4.4
311.09192	21.1
311.14063	3.4
312.09793	5.7
323.09003	4.0
323.23822	8.0
325.06866	3.5
325.10913	5.2
326.11560	5.1
327.08670	3.4
327.12344	13.6
327.23163	4.0
333.22009	6.0
337.10626	21.6
338.11398	10.7
339.08542	3.6
339.12213	14.6
340.09274	3.4
351.12112	3.7
351.23224	86.7
352.23679	9.6
354.10864	7.5
369.13345	60.7
369.18585	16.8
369.24567	100.0
370.13638	6.0
370.18823	5.9
370.24326	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54450	1.3
55.01876	6.7
55.05513	25.4
56.23495	1.2
56.47605	1.1
57.03447	7.5
57.07071	2.2
57.93311	1.3
59.27162	1.5
67.05507	25.3
69.03426	2.1
69.07069	11.1
71.04988	2.5
71.08638	18.8
71.31942	1.9
78.17550	1.2
79.05493	16.5
81.03428	1.6
81.07053	36.3
83.04987	5.9
83.08616	16.6
85.02916	2.5
85.06547	3.5
85.10204	1.6
91.05478	16.2
93.07040	16.3
93.07558	1.9
93.59317	1.4
95.04971	4.6
95.08607	16.9
97.06541	7.6
97.10179	1.6
99.08093	13.8
105.07035	16.8
107.05020	1.6
107.08617	11.3
109.06528	4.6
109.09539	1.2
109.10142	7.3
111.08084	10.6
112.26847	1.4
113.09660	3.7
114.01789	1.2
114.52612	1.4
117.07027	3.0
119.08579	12.3
121.06498	2.2
121.10166	9.5
121.31796	1.4
123.08086	3.5
123.11712	5.2
129.06999	2.4
131.08530	3.1
132.05679	2.7
133.06430	1.3
133.10126	8.7
135.08069	1.6
135.11705	4.9
137.05977	2.3
137.09628	1.4
139.11201	3.3
143.08604	1.6
145.10138	4.7
147.08075	2.6
147.11699	16.0
149.09662	3.1
149.13245	6.5
151.11162	5.1
157.10054	3.2
159.11708	2.0
161.13278	5.1
163.11177	2.6
163.14824	1.4
165.06989	1.8
165.09099	1.6
165.12816	8.7
166.07678	2.0
167.14326	1.3
171.11777	2.0
175.11163	2.6
179.08566	2.0
179.14343	4.6
181.06522	2.0
181.10164	2.5
185.13289	1.9
191.08623	1.9
193.06601	1.5
193.10210	2.5
195.08031	2.7
197.06000	2.4
205.10170	1.8
207.08272	2.0
207.10141	4.1
208.08844	2.2
209.09674	2.4
210.06866	1.7
211.07564	2.4
217.10333	1.7
218.07396	2.2
219.08107	4.7
220.08768	1.8
221.06036	2.0
221.09639	4.8
222.06647	3.6
222.10178	1.5
223.07451	2.6
223.11147	3.5
225.09131	2.6
231.08078	1.8
233.06018	1.5
233.09584	6.5
234.06683	1.9
234.10352	1.7
235.07600	4.9
235.11212	3.3
236.08337	3.9
236.11739	1.6
237.05489	5.1
237.09142	5.9
237.12753	2.4
238.06227	3.6
238.09712	1.7
239.06989	1.6
241.08600	2.2
241.19458	2.0
245.09607	2.0
246.10495	2.0
247.07648	4.4
247.11195	3.1
248.08389	4.9
248.11824	1.3
249.05533	1.6
249.09033	10.0
249.12810	3.3
249.22072	2.1
250.06194	2.9
250.09766	3.1
251.07021	4.6
251.10622	13.2
252.07884	4.2
252.11406	6.2
253.08635	5.8
253.12088	1.8
254.09665	2.2
255.06467	2.3
259.20468	2.7
260.08237	1.6
261.09119	8.9
262.09842	8.2
263.07217	3.5
263.10721	14.7
264.07779	5.8
264.11368	7.2
265.08688	8.4
265.12076	9.1
266.05814	1.9
266.09216	2.7
266.12967	2.9
267.06580	2.9
267.10208	5.3
268.07059	1.7
268.10809	1.9
269.07901	1.7
275.07150	4.7
275.10556	2.9
276.07886	4.8
276.11212	2.9
277.05630	1.4
277.08606	10.0
277.12192	5.2
277.21622	16.2
278.09412	5.0
278.13080	6.6
279.06781	3.3
279.10199	25.3
279.13678	3.9
280.07446	3.3
280.10889	9.1
280.13895	2.3
281.08105	6.5
281.11661	4.7
282.08804	3.0
283.09677	1.7
285.11105	1.7
289.08545	3.4
290.09451	4.9
291.10123	21.7
292.07681	2.5
292.10822	12.4
293.08099	6.2
293.11700	15.5
294.08768	3.8
294.12503	9.7
295.06470	1.5
295.09692	7.3
295.13315	10.8
295.22720	2.8
296.06924	1.8
296.10419	4.1
296.13651	2.9
297.07635	1.6
297.10956	1.8
304.10944	1.8
305.11743	5.7
306.12497	21.4
307.09665	17.2
307.13223	10.1
308.10358	12.2
308.13971	4.0
309.11151	7.9
309.14908	17.9
309.18292	1.4
310.12173	1.6
310.15405	6.5
311.09042	3.4
311.12854	6.9
311.16174	2.4
312.09854	2.2
313.10617	2.0
321.11142	6.9
322.12012	22.2
323.12704	29.6
324.13217	5.1
326.11484	2.2
326.15167	3.5
327.12283	3.4
335.13010	1.5
337.10861	4.8
337.14328	100.0
338.14914	29.9
339.12280	17.3
339.15921	7.5
340.12817	1.6
341.17422	11.0
351.15915	2.3
351.25287	4.2
354.10712	2.1
354.14505	11.3
355.15207	2.3
369.13019	6.5
369.16986	59.9
369.26587	15.7
370.17606	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.2
54.71980	5.5
55.05513	57.3
57.07078	10.5
60.93249	4.8
61.05497	5.1
63.72104	5.5
67.05505	30.9
69.07069	40.8
73.06550	14.3
79.05489	25.2
80.08074	5.8
81.07053	65.9
83.08617	30.7
87.86576	6.4
91.05499	17.3
93.07038	53.8
95.08601	58.4
97.10165	34.2
105.07035	44.4
107.08574	39.0
109.10143	50.3
115.07598	29.4
117.07055	8.9
119.08558	36.6
121.10130	40.1
123.08030	6.7
123.11724	15.9
125.09650	17.6
128.06247	9.4
129.06996	9.9
129.09160	9.4
131.08583	18.1
133.10133	39.9
135.11661	27.7
137.09552	7.2
138.61186	6.4
141.07002	7.7
142.07753	9.7
143.08572	35.8
144.09303	10.0
145.10126	46.0
147.11719	16.3
149.13304	11.0
152.09891	5.4
155.08549	14.3
156.09343	14.6
157.10120	56.9
157.12273	26.3
159.11687	47.8
161.13271	17.8
169.10158	23.9
171.11649	63.2
173.13289	25.3
175.14789	13.4
177.16292	6.5
181.10266	9.0
183.11719	23.3
184.12358	6.4
185.13235	40.5
187.14867	17.9
195.11710	9.0
196.12395	7.7
197.13260	33.9
198.18573	16.9
199.14899	32.6
209.13406	7.8
211.14828	20.7
213.12959	6.7
213.16347	30.9
225.12784	7.2
225.16319	18.6
227.17960	26.1
237.16328	12.5
239.14246	6.8
239.18004	19.5
253.19489	11.8
255.17239	7.1
259.17026	7.7
280.10843	6.3
281.18921	11.4
285.18503	7.6
295.13388	7.0
299.20108	8.2
313.21460	12.8
323.12842	6.4
326.22385	16.4
327.22745	7.0
337.14285	11.8
337.25302	7.0
368.11307	6.0
369.12030	22.1
369.17017	10.7
369.27820	100.0
369.31598	12.4
369.42838	17.0
370.13013	13.8
370.17874	11.1
370.28308	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01867	1.2
55.05511	8.3
57.07069	2.5
65.03934	1.6
67.05499	13.2
69.07066	9.7
70.17809	3.8
71.04999	1.8
79.05493	10.5
81.07058	18.7
83.04978	4.6
83.08629	3.8
85.06545	3.1
91.05471	16.8
93.07045	31.6
94.07415	1.4
95.04980	2.7
95.08602	31.0
96.08955	1.0
97.06531	2.6
103.05477	1.5
105.04579	1.2
105.07025	38.4
106.07327	1.3
107.08596	29.8
109.06527	3.0
109.10166	12.2
111.04474	1.3
111.08109	3.7
115.05494	2.1
116.06228	1.2
117.07018	7.1
119.08580	25.0
121.06526	2.6
121.10147	21.1
121.48502	1.0
123.08055	5.9
123.11702	6.1
125.09676	1.1
128.06258	3.0
129.06989	6.2
130.07782	2.9
131.08568	24.9
131.09488	1.5
132.05753	1.8
133.10127	100.0
134.10492	4.5
135.08037	5.7
135.11674	11.7
137.09627	2.0
137.13335	1.0
141.06989	1.9
141.09160	1.9
142.07799	4.4
143.08556	10.0
144.09396	2.2
145.10114	23.7
147.08102	3.8
147.11687	14.7
147.12756	1.6
149.09627	3.3
149.13295	3.3
151.11084	1.2
153.09120	5.6
155.08536	4.8
156.09308	2.3
157.10121	12.4
158.10796	1.4
159.08119	3.0
159.11687	35.1
159.79115	1.0
160.12117	1.7
161.09663	5.6
161.13239	5.9
163.11174	6.7
163.14888	2.4
165.07037	2.5
167.08589	1.9
167.10707	7.0
169.10135	5.8
171.11679	14.0
172.12338	1.1
173.09660	3.4
173.13242	12.4
175.11159	8.1
175.14876	3.6
177.09065	1.8
177.12915	1.5
177.16492	1.1
179.08533	1.4
179.10768	2.2
181.06403	1.2
181.10172	1.9
181.12253	3.9
183.11742	4.6
184.12552	1.1
185.13229	8.7
187.11218	3.7
187.14886	4.6
189.12753	6.2
189.16451	1.7
191.08606	1.9
193.12337	1.0
195.11778	2.9
195.13799	2.4
196.12550	1.3
197.13329	4.6
199.11227	1.3
199.14861	5.8
201.12827	2.3
201.16441	3.6
205.06526	2.9
205.15880	1.3
206.07274	1.7
207.08408	1.4
207.10312	3.0
208.08717	1.8
209.06088	1.1
209.09709	2.5
209.13329	2.7
209.15364	1.5
210.06816	1.3
211.07410	1.3
211.11259	1.3
211.14781	8.3
213.12762	1.3
213.16458	4.5
215.14476	2.0
215.17952	1.1
219.08092	3.6
219.13858	2.0
220.08800	1.0
221.06078	2.8
221.09691	2.5
222.06807	1.6
223.07542	1.3
223.11191	1.2
223.15013	2.0
223.17018	3.4
225.09254	1.7
225.12721	1.6
225.16434	1.5
227.14429	2.6
227.17972	1.8
229.15889	8.3
231.17554	1.5
233.05988	2.3
234.06741	6.2
235.07361	4.9
235.16910	1.7
236.08321	1.8
237.05550	1.4
237.09193	4.5
237.16495	1.5
238.06442	2.4
239.07024	1.8
239.14403	1.2
241.05013	1.2
241.15958	2.4
241.19496	2.1
246.67238	1.3
247.07468	1.5
248.08203	1.4
249.05536	3.0
249.09076	9.3
249.18588	2.0
250.06224	2.8
250.09892	1.9
251.07065	4.8
251.10693	1.9
253.08691	3.5
253.19640	2.4
255.17429	4.3
261.05450	1.8
263.07092	3.7
264.04395	1.0
264.07550	4.9
265.05142	2.9
265.08636	6.9
266.05740	2.3
266.09131	1.4
267.06387	2.0
270.05331	2.3
276.07849	2.7
277.05258	1.7
277.08710	8.5
279.06647	4.5
279.10254	6.0
280.07385	3.2
280.11044	3.3
281.08191	4.9
281.11377	1.5
282.08859	1.4
291.06592	3.6
292.07410	4.5
293.08057	9.3
294.05554	1.8
294.08826	3.1
295.06363	2.1
295.09705	4.8
296.06830	2.3
296.10184	1.9
297.03973	6.8
297.07224	2.1
298.04733	1.1
306.08920	3.7
307.06039	2.7
307.09540	20.0
308.06824	2.7
308.10410	6.1
309.07648	5.0
309.11279	4.6
311.05585	8.6
311.09167	3.3
311.12808	2.6
312.06287	15.5
312.09698	1.8
313.21713	1.8
322.08163	4.9
323.09125	8.1
323.23758	3.4
324.09827	2.3
325.10452	1.8
326.11340	1.9
327.08609	25.9
327.12271	2.3
328.09061	3.8
333.22278	2.1
333.25964	1.6
337.07037	3.4
337.10825	12.2
338.11392	20.8
339.08621	3.2
339.12299	8.8
351.23145	10.3
351.26947	2.0
354.11011	6.2
355.11969	1.2
369.09546	9.1
369.13486	43.4
369.24210	25.4
369.28104	20.2
370.09732	2.1
370.13849	5.1
370.24515	3.1
370.28467	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	13.3
57.03433	2.0
57.07062	4.1
58.51800	1.1
63.16584	1.3
67.05505	22.0
68.12685	1.3
69.07073	15.5
69.35899	2.9
69.36314	4.7
71.08627	1.3
75.27879	1.3
79.05488	10.0
80.05828	1.2
81.07059	33.9
81.08668	1.3
83.04994	7.4
83.08607	6.8
85.06527	1.2
87.09860	1.2
88.71120	1.2
91.05479	14.1
93.07043	34.1
94.07354	1.4
95.04967	4.3
95.08607	61.2
96.08941	1.9
97.06530	3.6
97.10131	1.6
99.04490	1.9
99.73410	1.4
103.05443	1.3
105.07027	31.2
106.07394	1.7
107.08595	36.6
107.09283	2.7
107.93059	1.3
109.06483	3.1
109.10159	42.3
109.10912	2.2
110.10530	1.7
111.04458	2.5
111.08087	8.2
113.06033	3.3
117.07011	7.0
119.08582	36.4
119.09438	2.0
121.06504	2.7
121.10149	26.9
122.10517	1.8
123.08048	7.4
123.11710	11.8
127.07581	1.6
129.07018	4.5
130.07811	2.9
131.08574	27.3
133.10138	26.6
135.11685	18.1
137.09612	3.5
137.13237	4.7
139.07561	5.4
141.09103	5.2
142.07756	1.7
143.08551	11.2
144.09380	3.4
145.10115	36.7
146.10498	3.0
147.08089	1.5
147.11684	22.5
149.13246	12.1
155.08531	1.8
157.10138	8.7
158.10834	3.9
159.11688	41.9
160.12151	2.6
161.09622	10.6
161.13239	14.2
163.11140	3.0
163.14818	7.2
169.10149	2.6
171.11678	11.7
172.08827	1.5
172.12511	2.1
173.09615	2.2
173.13255	30.7
174.13892	1.9
175.11165	3.4
175.14827	11.4
177.16452	3.2
179.10699	3.1
183.11736	2.8
185.09634	2.3
185.13307	11.5
186.14064	7.7
187.11140	2.8
187.14825	28.2
188.15375	3.4
189.16415	17.7
190.16756	1.6
191.18036	7.2
197.13312	2.8
199.11192	1.8
199.14737	9.4
200.15448	2.7
201.12755	3.3
201.16386	20.6
202.16832	1.9
203.18066	2.5
205.12225	1.4
207.13795	1.7
211.14827	2.4
213.16411	8.0
214.17130	2.6
215.14365	2.0
215.17955	7.1
219.13770	2.0
225.16304	2.2
227.17914	12.8
228.18661	4.8
229.15858	4.3
229.19510	100.0
230.19780	8.8
231.13943	1.6
231.21078	4.9
233.15443	4.2
239.17778	2.0
241.19565	5.1
243.21092	2.8
247.16919	6.4
249.09283	1.6
255.21196	5.3
257.22647	3.9
261.47940	1.4
263.10641	1.5
265.04971	3.2
266.09116	1.5
267.21057	1.6
269.22620	4.4
270.23407	8.1
273.18478	1.6
279.10080	3.7
280.10825	1.6
295.09644	1.9
295.13174	2.7
295.24283	1.7
299.20218	2.0
309.14999	1.4
310.04669	1.7
310.15628	2.0
313.21613	2.4
323.12305	3.0
323.27374	2.8
325.06931	4.6
337.14395	3.0
338.14749	2.7
351.26889	2.4
369.13055	18.6
369.17090	5.6
369.27881	87.6
370.13620	1.9
370.17853	1.6
370.28085	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89869	0.8
67.05475	0.7
69.03416	1.7
69.90140	0.7
70.22744	0.8
70.41022	1.7
73.04716	0.8
77.06348	0.6
83.04980	1.4
85.02885	2.0
91.05798	1.7
95.04967	1.3
98.47395	0.7
104.80647	0.8
105.03357	0.8
107.04957	0.9
110.07130	2.8
111.04457	1.5
117.03413	1.1
118.03698	0.8
119.04944	1.3
119.08601	0.7
123.04432	0.9
125.05919	0.7
126.01047	2.2
129.05484	1.4
133.02849	4.0
137.06004	0.8
145.02843	1.0
146.03139	1.5
147.04446	5.6
151.03906	1.3
156.07654	3.3
173.08064	0.8
177.05461	2.8
178.05814	3.0
179.03426	9.5
185.04231	22.8
207.13861	1.1
208.05824	100.0
209.06084	4.6
218.08772	1.7
225.08713	0.9
244.06627	3.1
339.18924	0.9
370.11118	59.3
370.15115	2.0
371.07193	1.7
371.11475	3.9
371.16803	8.2
381.88593	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.05510	2.5
57.50241	0.8
65.03947	3.8
65.04244	0.8
65.50559	0.7
67.05501	8.9
68.99787	1.2
69.03016	5.9
69.03441	5.1
76.36350	0.8
77.03947	3.4
78.39369	0.8
79.05500	2.1
81.03420	1.2
83.04984	19.2
85.02917	5.1
93.03406	7.5
95.04974	8.8
97.02916	1.1
98.97590	2.1
100.11275	0.8
105.03396	10.4
107.04964	23.9
109.02907	2.0
111.04448	21.5
119.08583	0.9
121.02892	3.3
123.04421	10.1
127.03973	0.8
128.98634	0.9
129.05501	9.5
133.02855	39.6
135.04411	1.5
139.03912	15.1
151.03925	15.7
157.04968	12.3
157.06166	0.8
161.02345	21.0
162.02692	1.3
166.71944	0.8
175.06021	8.4
179.03401	100.0
180.03783	4.1
182.15462	1.2
203.05392	1.6
210.14932	1.4
219.92390	0.9
237.02692	0.9
279.10959	1.1
328.07904	1.2
339.12207	0.9
353.08582	1.3
354.13638	0.9
370.15570	4.9
371.16794	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53658	1.7
51.07473	1.4
57.03439	3.9
62.63004	1.7
69.03458	1.4
70.41922	2.9
70.42245	2.1
70.60886	1.4
71.04989	43.8
85.02913	6.3
85.06555	1.7
89.28151	1.6
91.65302	1.4
97.02865	3.3
113.06010	10.7
115.14951	1.5
127.07543	11.3
131.07033	47.6
132.07365	1.7
140.44347	1.5
142.04538	1.6
145.04987	2.0
145.08595	100.0
146.08888	2.4
173.08047	2.9
173.75694	2.0
191.09117	26.3
371.16757	9.6
389.24118	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43484	13.4
56.79177	12.7
56.82038	15.2
69.03452	13.4
69.53324	12.6
70.06596	39.1
84.96451	13.1
85.53382	14.6
90.99265	12.6
94.44269	13.0
97.07598	12.7
121.02840	18.2
128.14256	14.4
151.03943	15.7
169.09351	16.8
171.10852	23.5
173.02959	16.3
173.07706	30.8
189.12035	15.9
197.02942	14.2
215.09915	27.2
224.66328	12.9
269.05072	16.6
269.14529	41.1
293.09805	25.9
311.10934	24.0
311.16653	24.0
324.12030	19.5
329.11853	32.4
353.13055	24.4
371.07526	100.0
371.13995	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1126
Annotation	Styraxin
Peak:m/z	Relative Intensity
51.02385	0.3
53.00333	0.7
53.03947	0.9
55.01868	1.3
55.05508	0.4
56.66042	0.1
65.03938	1.6
66.04726	1.0
67.05495	1.7
68.99788	1.2
69.03436	0.5
69.07091	0.2
77.03951	0.6
79.05491	3.5
79.05906	0.3
80.05837	0.1
81.03405	0.3
81.07065	1.3
83.04995	0.2
85.02903	0.2
91.05483	0.5
92.02644	0.3
93.03396	2.4
93.07067	0.5
94.04196	1.7
95.04975	1.4
95.08601	0.3
103.05487	0.9
105.03389	0.4
105.04511	0.5
105.07053	0.8
107.01291	0.2
107.04976	0.7
107.08615	0.6
109.02881	0.7
109.06529	1.9
109.10151	0.4
111.04447	0.4
115.05454	0.4
117.07024	0.5
119.08586	0.5
121.02876	2.9
121.06550	0.3
121.10111	0.3
122.03639	2.4
123.04446	1.9
123.08060	0.2
123.11703	0.3
126.03165	0.5
128.06197	1.2
129.07007	4.9
130.07372	0.2
131.04926	1.9
131.08556	0.6
133.02852	0.3
133.05617	0.2
133.06509	1.0
133.10130	0.3
135.04419	4.3
135.05392	0.3
135.11678	0.2
137.06004	0.9
139.03931	1.1
139.05469	0.2
141.07043	0.2
143.08508	0.2
145.06491	1.2
145.10127	0.4
147.11717	0.4
149.06010	0.2
151.03905	100.0
152.04240	3.0
153.01826	0.2
154.02646	0.2
155.05978	0.2
155.07033	2.4
155.08238	0.3
156.09283	0.2
157.05179	0.3
157.06490	5.6
157.10120	0.2
158.06886	0.3
159.04385	0.4
159.07997	0.3
161.05991	2.6
161.13185	0.2
162.64505	0.2
163.03918	0.3
165.05472	67.0
166.05797	1.9
167.07039	0.4
169.10123	0.2
171.11613	0.3
172.05244	0.2
173.05994	1.8
173.13297	0.6
174.10382	0.3
175.03940	0.2
175.07564	0.9
185.05946	1.5
185.13298	0.2
187.06001	0.1
187.07547	3.5
189.05495	0.2
189.09131	0.2
189.19614	0.2
191.03374	0.4
203.03438	0.2
203.07013	1.7
205.12263	1.3
215.07033	9.3
216.07352	0.4
217.08531	0.2
218.09294	0.2
221.08083	0.8
233.08072	3.7
233.11522	1.0
235.07683	0.2
236.25255	0.2
247.07515	0.4
249.09152	0.2
252.07724	0.2
253.19537	0.2
267.17636	0.2
277.08585	0.4
295.09570	0.3
295.20444	0.5
296.21304	0.3
305.08093	0.9
323.09152	0.3
325.10736	0.3
335.09134	1.0
337.95749	0.2
339.12076	0.5
347.35870	0.2
353.10010	0.7
353.13812	0.3
358.71326	0.2
371.10895	0.7
371.14984	0.9
371.18274	0.3
371.22281	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00321	0.8
55.01881	0.9
55.32465	0.2
61.98611	0.2
62.05586	0.2
63.83913	0.2
65.03932	1.2
67.05209	0.2
67.05510	1.8
68.99788	1.3
71.04985	0.2
79.05474	0.6
81.07033	0.2
85.65521	0.2
90.16154	0.2
91.05462	0.3
93.03399	2.6
93.07050	0.3
95.04947	0.3
95.08564	0.2
101.06030	0.2
103.05466	0.7
103.14347	0.2
105.07032	0.5
107.04945	0.4
109.02868	0.4
111.04450	0.7
115.05457	0.3
117.07038	0.6
119.04907	0.2
121.02863	2.7
121.10193	0.2
123.04442	2.2
128.06204	1.1
129.07002	5.3
130.07349	0.2
131.04909	2.0
131.08597	0.2
133.06476	1.0
135.04419	4.3
137.05962	0.5
139.03905	1.1
139.05400	0.2
145.06512	1.3
151.03903	100.0
152.04239	2.9
155.06033	0.2
157.06493	5.8
158.06841	0.2
159.04457	0.5
159.08028	0.2
160.05151	0.2
161.05988	2.8
163.03918	0.2
163.07520	0.2
165.05511	0.5
172.05193	0.2
173.05995	2.4
175.03873	0.4
175.07593	0.6
177.05547	0.2
181.04906	0.3
185.05957	1.4
187.07549	3.2
191.03355	0.5
203.06989	1.6
203.08586	0.3
215.07042	9.0
216.07269	0.4
217.08598	0.5
219.08104	0.4
221.08002	0.9
233.08060	3.6
235.07666	0.2
249.09363	0.3
264.07806	0.2
265.08585	0.2
277.08612	0.4
305.08163	0.6
309.10956	0.2
311.12741	0.2
311.20135	0.2
335.09134	0.8
339.12183	0.4
353.10214	0.8
371.10934	1.0
371.14932	0.7
371.19086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
68.02646	1.4
69.03426	2.1
69.14896	3.6
69.15301	9.3
71.09430	1.4
79.65468	1.5
81.07046	2.7
83.05002	2.1
93.07039	1.9
95.08572	1.9
101.06023	26.5
101.31596	1.5
105.07016	2.3
107.08593	1.9
109.10139	2.6
129.07037	2.1
141.06995	1.6
145.10068	2.1
152.06183	1.7
153.06938	3.4
155.08560	4.0
157.10129	1.9
159.11676	1.9
165.07033	7.6
167.08566	2.3
168.05682	3.5
169.06509	1.8
169.10010	1.9
177.07080	1.5
181.06522	5.8
182.07260	5.7
183.08081	10.2
185.06024	2.7
193.06514	5.1
194.07204	2.6
195.08090	3.5
196.05217	4.1
197.05949	7.8
197.09634	3.0
198.06703	1.7
199.03882	3.4
199.07568	3.9
207.08130	3.1
209.06009	4.9
210.06732	8.5
211.05637	3.2
211.07520	29.9
212.04691	4.0
212.08214	3.4
213.05467	5.5
213.09094	2.1
220.05104	1.8
221.05986	7.1
222.06737	3.4
223.03947	3.0
223.07506	7.3
224.04723	4.7
224.08180	3.0
225.05461	11.0
225.08995	7.5
226.06221	6.4
227.03583	1.9
227.06949	10.2
228.04262	3.2
228.07770	2.8
233.05669	1.6
235.07544	4.9
236.04874	1.9
236.08263	2.5
237.05331	7.2
237.09003	3.6
238.06213	11.1
239.03409	2.1
239.07002	33.2
240.04170	2.9
240.07724	5.6
241.04938	6.7
241.08563	9.6
242.05751	3.4
242.09245	2.3
243.06387	3.5
243.10196	3.2
249.05545	4.2
250.06244	5.3
251.03427	1.7
251.07019	14.1
252.04079	2.9
252.07756	6.0
253.05072	7.6
253.08572	15.3
254.05777	4.4
255.06566	9.7
255.10226	3.2
256.03748	5.0
256.07333	5.6
257.04489	2.8
257.08002	1.9
263.07068	3.5
264.07889	1.8
265.05075	4.2
265.08554	5.3
266.05887	7.0
267.06497	31.8
267.09937	2.6
268.03656	4.3
268.07248	13.0
269.04492	5.3
269.08099	19.1
270.05243	6.1
270.08734	6.0
271.02802	1.9
271.06036	7.7
271.09641	14.3
278.05817	1.6
279.06516	16.6
279.09543	2.6
280.07278	4.9
281.04410	5.9
281.08044	15.4
282.05252	5.0
282.08554	3.1
283.02444	7.8
283.06018	16.4
283.09613	17.1
284.03146	19.3
284.06723	8.2
285.03802	6.0
287.05588	6.3
291.06528	2.1
293.04745	1.8
293.08124	3.9
294.05270	3.0
295.06046	4.2
295.09598	8.0
296.06705	6.6
296.09692	2.0
297.04169	2.4
297.07608	46.6
297.11081	4.5
298.05008	2.5
298.08188	10.6
299.05511	100.0
299.09146	26.7
300.05984	8.8
301.07501	1.9
301.10718	3.3
308.06754	2.1
309.07544	37.2
309.10760	3.0
310.08060	5.8
310.11636	3.7
311.05524	4.8
311.09073	28.4
311.12683	2.4
312.06281	8.6
312.09915	4.8
313.07022	6.9
313.10654	10.5
313.14243	2.7
314.07819	24.8
315.08383	2.6
325.07080	2.1
325.10587	7.3
326.07715	1.9
327.08621	47.7
328.09314	37.3
329.10165	97.3
330.10480	5.5
339.08572	22.7
339.12100	2.7
340.09033	3.7
340.13016	15.9
341.10135	20.1
341.13843	5.5
342.10809	2.9
353.10217	2.7
356.08643	4.3
356.12546	3.8
371.10861	35.1
371.14816	8.9
372.11633	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	2.2
69.75700	4.3
69.76122	7.5
79.05506	2.3
81.07041	2.9
85.02902	3.1
92.74264	2.0
93.07032	4.2
98.22617	2.4
98.97606	10.7
105.07043	2.9
107.08564	2.0
112.99186	2.3
116.98661	3.3
119.08582	2.3
133.10123	4.0
149.09636	3.0
151.03899	3.1
219.01840	2.5
237.02829	7.2
371.16516	100.0
372.17371	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1491
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
53.03941	0.7
55.01868	0.8
55.05518	0.7
62.60000	0.6
67.05505	0.9
69.03429	0.8
79.05501	1.8
81.03445	0.6
81.07068	1.4
83.89944	0.6
87.28571	0.5
91.05489	2.0
93.07040	3.5
95.04986	0.8
95.08601	0.9
98.23354	1.3
99.04475	1.5
103.05442	0.8
103.62616	0.6
105.07030	4.8
107.04946	1.3
107.08584	4.6
117.07062	0.8
119.04980	0.8
119.08618	1.0
121.06531	1.5
121.10152	2.8
127.03938	0.8
131.04974	1.3
131.08574	1.0
133.06461	0.8
135.08032	0.7
137.06026	1.6
145.10133	2.4
147.04465	0.7
151.03989	1.1
159.08095	1.2
163.11185	7.4
165.07024	2.1
166.07672	0.6
167.08566	0.6
173.09679	0.6
175.07585	0.9
178.07835	2.0
179.08606	1.4
181.06508	2.0
181.12318	1.2
189.06998	1.1
190.07852	1.1
191.08620	1.4
191.10701	4.8
193.06496	1.2
194.07228	2.9
195.08034	2.1
202.07848	0.7
203.05278	24.0
203.08479	1.2
204.05574	0.9
205.06451	1.9
205.10211	0.7
205.87288	0.7
206.07280	2.5
207.08096	4.0
209.05988	1.7
209.09634	1.6
209.11739	1.8
211.07658	0.6
215.08588	1.4
218.07295	1.3
219.08025	2.5
219.09981	0.7
221.06064	2.8
221.09761	1.0
222.06770	5.2
223.07426	3.0
224.08376	3.1
225.09119	0.6
227.12946	0.7
231.08014	1.1
232.08817	1.3
233.05997	0.9
233.09599	1.6
234.06750	4.8
234.10327	1.0
235.07524	6.5
236.08347	4.4
236.16667	0.7
237.05510	3.1
237.08995	2.9
238.06157	0.8
239.06882	1.0
240.07869	1.0
247.07565	1.4
248.08350	1.6
249.05478	2.1
249.09123	11.9
250.06355	2.8
250.09743	4.1
251.07077	3.6
251.10483	0.9
252.07787	9.9
253.08517	2.9
261.09088	2.5
263.07037	2.7
264.07724	5.0
265.05087	2.1
265.08588	17.0
266.09311	9.6
267.06509	1.0
267.09964	2.0
275.10565	1.0
277.08597	4.5
278.09299	2.9
279.06567	1.3
279.09717	0.8
280.07306	10.4
280.10452	1.1
281.08105	6.5
281.11389	0.9
289.08643	0.6
293.08163	2.7
293.11743	9.4
294.08835	1.4
294.12073	0.9
295.09521	4.9
296.10455	10.2
297.11069	1.1
309.11197	2.0
310.08423	0.8
310.11853	1.4
311.09219	1.3
311.12714	8.0
312.13153	0.8
313.10699	0.9
321.11243	6.2
322.11703	0.7
324.09995	1.5
325.10776	1.5
339.12268	100.0
340.12790	12.3
353.13852	1.1
356.12494	0.8
371.14719	30.6
372.15573	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
53.77947	0.6
67.05473	0.7
69.48061	0.5
69.74600	2.2
70.44424	0.5
71.77724	0.5
79.05478	0.7
80.45322	0.5
91.05460	1.7
93.06995	0.9
103.05428	0.7
105.03369	0.8
105.06979	0.9
107.04943	1.0
107.08562	0.8
111.04423	0.7
115.05401	0.8
121.06472	0.6
123.04386	0.7
131.04900	1.4
131.08519	0.5
133.02821	0.7
137.05916	2.0
145.06421	0.9
145.50478	0.6
147.04259	1.2
151.03883	0.6
159.07918	0.7
161.05878	0.7
163.11166	0.9
165.06944	1.9
165.91074	0.6
166.07657	1.0
167.07010	1.4
175.07503	1.1
178.07791	3.2
179.08476	1.7
181.06441	2.4
189.06944	1.4
190.07719	2.0
191.08539	0.7
191.10660	0.7
194.07272	3.4
195.08044	2.7
199.07457	0.7
203.06761	0.6
203.08510	1.5
205.06444	1.7
205.10056	0.8
206.07298	2.9
207.08096	2.8
208.08675	0.9
209.05949	2.0
209.09531	1.8
209.11478	1.0
210.06737	1.4
211.07614	1.3
215.08551	1.1
217.06551	0.7
217.08536	1.0
218.07272	1.8
219.07967	2.2
220.08830	0.8
221.05943	2.3
221.09514	1.1
222.06776	5.0
222.10228	0.9
223.07607	3.4
224.08275	3.2
225.09003	1.2
226.06219	0.9
231.08098	1.1
232.08765	2.0
233.05916	0.7
233.09576	2.4
234.06673	3.9
234.10320	0.9
235.07495	5.7
236.08289	5.4
237.05455	3.1
237.09059	3.4
238.06180	1.4
239.06982	1.0
247.07457	1.2
248.08279	1.4
249.05331	1.9
249.09105	13.2
250.06358	2.9
250.09714	3.4
251.06987	3.9
251.10509	0.8
252.07817	10.4
253.08638	3.1
260.08188	0.6
261.09094	2.6
262.06100	0.9
262.09799	0.7
263.07031	3.8
264.07806	6.0
265.05020	2.4
265.08557	17.7
266.09286	10.7
267.06711	0.7
267.09973	2.0
269.07968	0.8
275.10529	1.1
276.07452	0.7
277.08585	5.7
278.09344	3.4
279.06305	1.6
280.07346	12.5
280.10522	1.2
281.08041	7.3
281.11185	1.0
282.08649	0.8
288.07697	1.0
291.10098	0.7
292.10779	0.8
293.08035	2.5
293.11670	12.0
294.08731	1.9
294.11975	1.0
295.09668	5.7
296.10352	10.0
297.11002	1.2
307.09653	1.3
309.11163	3.1
310.11914	1.2
311.12747	11.2
312.09793	1.3
312.13190	0.9
313.10663	1.3
321.11227	7.9
322.11859	1.0
324.09946	2.0
325.10544	1.8
338.11371	0.7
339.12259	100.0
340.12689	14.0
341.13593	0.6
353.13837	2.3
371.14896	31.7
372.15164	3.0
391.01929	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28120	1.5
55.01865	2.7
63.35975	1.4
65.03955	3.0
67.05486	1.8
69.17503	3.8
69.17892	11.9
71.05000	1.7
72.16621	1.4
79.05507	10.2
80.38539	1.4
81.07048	5.5
84.70157	1.5
91.05463	9.9
93.03440	1.8
93.07053	2.5
94.04198	5.0
95.04986	3.9
95.08580	2.6
103.05453	6.8
105.07040	4.8
107.04964	16.5
109.02843	1.7
109.06516	4.2
111.04451	4.2
115.05427	8.2
116.06234	2.6
117.06976	2.8
119.04903	1.6
121.06467	3.0
122.03671	7.3
123.04408	4.6
124.05244	3.5
128.06204	4.5
129.05551	2.5
129.06995	15.5
131.04929	7.2
131.08566	11.0
135.04411	3.3
137.05974	100.0
138.06384	2.8
141.07031	5.3
143.04910	2.1
143.08588	2.1
144.05714	9.7
145.06494	7.7
149.02386	2.9
149.05978	2.6
151.03909	48.8
151.05089	3.3
151.07542	5.7
152.04378	2.7
153.05531	2.1
156.05687	19.0
157.06500	10.3
158.07266	2.5
159.08073	20.3
159.11772	2.7
160.05228	3.9
161.05986	4.5
163.03923	3.8
163.07576	2.0
165.05579	2.6
165.07048	3.7
167.07066	36.6
169.06450	4.3
171.07986	2.1
172.05144	2.9
173.05980	3.5
174.06798	3.8
175.07559	10.0
177.05466	7.4
178.07741	4.3
179.07083	2.5
179.08556	3.0
180.05876	1.7
181.06438	3.4
181.08655	1.9
184.05226	2.7
185.06047	2.4
186.06802	3.8
187.07565	20.2
188.08125	1.8
189.05544	2.2
189.07062	4.5
189.09123	6.7
190.07803	4.5
191.06998	2.2
191.08612	2.5
194.07332	2.7
195.07977	3.3
201.08992	2.5
202.06302	6.3
203.08585	6.8
204.07713	2.4
205.06473	4.0
205.08568	6.7
205.10246	3.4
206.07300	6.2
207.08083	4.8
208.08839	2.6
209.06053	2.8
211.07579	4.8
215.07001	6.2
215.08647	4.7
217.06584	2.7
217.08589	62.6
218.07243	11.3
218.09094	2.8
219.07985	6.9
219.10204	5.2
221.06024	2.2
221.09674	9.0
222.06738	2.4
223.07509	6.3
224.04726	2.7
224.08258	2.9
225.05606	1.8
226.06250	4.5
227.06924	3.5
229.08669	2.2
231.08076	5.9
232.08801	5.5
233.06010	2.1
233.09755	11.2
234.06720	11.6
235.07585	13.6
236.08273	3.8
237.05537	2.5
237.09099	3.9
238.09869	2.2
239.07043	10.8
241.08546	13.9
242.05756	3.1
246.06717	5.4
247.07460	7.6
247.09702	26.3
249.09135	21.5
250.06253	4.5
250.09796	5.8
251.06967	9.9
251.10638	1.8
252.07820	12.8
255.06572	2.3
257.07971	2.5
260.08347	5.5
261.09097	22.7
262.06320	4.8
262.09708	3.7
263.06967	14.5
263.10837	3.6
264.07770	5.9
265.05029	1.8
265.08633	8.2
265.11978	2.0
266.09399	5.7
267.10052	2.9
268.07190	3.0
269.08090	11.5
270.08530	2.2
271.05768	3.9
274.06320	2.0
276.07755	3.0
277.08594	17.8
278.06476	2.3
278.09265	14.4
279.06454	3.9
279.09955	3.7
279.89349	1.9
280.07391	7.9
280.10367	1.6
281.08115	4.8
281.11743	7.6
283.09760	3.3
285.07590	25.7
286.08200	3.3
289.08502	8.9
290.09320	4.0
291.06558	2.9
291.10052	3.3
292.07468	2.4
292.10815	3.3
293.08072	5.9
293.11740	15.9
294.08746	2.2
295.09564	6.4
296.10437	3.0
298.08505	3.6
300.09918	32.0
301.10596	14.7
306.08847	7.2
307.09613	6.9
309.07736	3.0
309.11127	15.7
310.11761	2.7
311.09341	2.8
311.12668	6.2
313.10742	10.4
320.10376	2.3
321.11194	29.5
322.12079	3.6
323.09174	11.2
326.11404	10.5
327.12137	4.6
338.11459	7.3
339.12271	31.9
340.12747	2.8
341.10199	4.0
341.13910	6.9
353.13834	45.2
354.14236	5.2
371.10657	3.2
371.14908	32.4
372.14783	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01821	0.3
59.04916	1.3
75.04387	2.0
78.38794	0.2
91.05399	0.3
93.06967	0.2
115.05409	0.2
117.06908	0.2
121.06451	0.2
129.06926	0.2
131.04900	0.2
138.04755	0.2
140.04608	0.2
141.06888	0.2
145.06348	0.7
150.04565	0.2
152.06131	0.4
153.06836	0.7
153.62968	0.2
155.06920	0.5
155.08388	0.3
159.08012	0.2
161.06009	0.3
165.05484	0.4
165.06898	1.2
166.07686	0.4
167.08588	1.1
168.05560	0.4
169.06380	0.6
169.10008	0.2
170.07123	0.3
171.07948	0.2
173.05957	0.4
177.06923	0.4
178.07759	0.9
179.08562	1.5
181.06487	2.4
181.09978	0.4
182.07248	0.8
183.08064	1.1
184.05150	0.3
184.08598	0.3
185.05986	0.4
187.07362	0.2
189.05377	0.2
189.06946	0.5
189.08948	0.3
190.07660	0.2
191.06982	0.2
191.08479	0.7
192.05545	0.4
192.08932	0.2
193.06424	0.8
193.10033	0.4
194.07246	1.1
195.04370	0.2
195.08072	2.2
196.05109	0.3
196.08765	1.2
197.05972	1.3
197.09546	0.5
198.06741	1.1
199.07373	0.7
203.06725	0.2
203.08542	0.2
204.07663	0.5
205.06395	0.7
206.07271	1.1
207.08055	3.3
208.05115	0.3
208.08778	1.2
209.05988	1.8
209.09564	1.9
210.06773	1.8
210.10181	0.5
211.03833	0.2
211.07520	2.9
211.11108	0.8
212.04466	0.2
212.08269	1.2
213.05482	1.3
213.09074	1.3
214.06029	0.3
215.06912	0.4
216.07718	0.2
218.07301	0.3
219.07932	1.0
219.10004	0.3
220.05103	0.5
221.05965	1.2
221.09537	1.0
222.06754	1.5
222.10167	0.3
223.03847	0.4
223.07518	3.9
223.11087	0.5
224.04532	0.4
224.08319	4.8
225.05525	1.3
225.09019	1.8
226.06236	2.7
226.09750	0.7
227.03333	0.2
227.07047	1.9
227.10587	0.9
228.07843	0.9
229.08447	0.5
233.05859	0.3
234.06799	0.8
234.10162	0.2
235.07518	5.2
236.04547	0.4
236.08272	3.1
237.05490	2.3
237.09062	3.8
238.06258	1.8
238.09856	1.5
239.03416	0.3
239.06937	3.7
239.10577	5.8
240.04068	0.3
240.07753	3.2
240.11128	0.4
241.04967	2.4
241.08586	4.5
241.12254	0.5
242.05432	0.6
242.09064	0.6
243.06473	0.2
243.10008	0.3
247.07414	0.4
248.08162	0.6
249.05446	0.9
249.09082	1.9
250.06221	1.5
250.09814	1.0
251.06937	6.0
251.10565	1.9
252.07797	7.6
252.11090	0.5
253.04912	1.4
253.08472	4.7
253.12192	0.5
254.05667	1.6
254.09247	2.7
254.12856	0.5
255.06445	2.8
255.10045	3.4
256.07138	2.0
256.10568	0.5
257.04346	0.4
257.07999	0.8
262.06137	0.3
263.07013	3.6
264.07806	1.9
264.10684	0.2
265.04974	1.0
265.08578	6.8
265.19135	0.2
266.05643	1.3
266.09210	3.7
267.06506	5.5
267.10083	16.5
268.07199	6.0
268.10553	1.8
269.04401	2.1
269.07983	5.1
269.11588	2.4
270.05148	0.9
270.08734	1.5
270.12289	0.6
271.06250	1.0
271.09454	0.9
272.06787	0.2
276.07654	0.2
277.04926	0.2
277.08582	0.9
278.05692	0.6
278.09280	1.5
279.06458	3.1
279.10086	4.7
280.07227	4.1
280.10767	1.2
281.04553	1.0
281.08005	7.4
281.11572	2.2
282.05353	0.6
282.08786	7.5
282.12408	5.6
283.06012	1.7
283.09552	6.3
283.12982	1.2
284.06824	12.0
284.10175	1.7
285.07516	3.7
285.10889	0.6
285.14685	0.3
286.08347	0.3
287.08966	0.2
291.09879	0.3
292.07211	0.6
292.10559	0.3
293.08057	6.4
293.11298	0.2
294.05261	0.6
294.08765	4.1
295.06042	2.9
295.09576	20.9
296.06693	4.0
296.10147	3.2
297.03958	0.5
297.07523	3.6
297.11151	18.3
298.08243	4.4
298.11816	4.5
299.05518	1.6
299.09082	10.2
299.12503	1.1
299.15805	0.2
300.09558	1.1
307.09763	0.8
308.07272	0.2
308.10205	1.0
309.07510	6.1
309.11163	9.1
310.04498	0.4
310.08249	10.2
310.11938	12.2
311.05725	0.4
311.09048	9.6
311.12570	2.6
312.06189	1.5
312.09802	4.6
312.13391	0.7
313.06952	1.4
313.10608	5.5
313.14307	4.2
314.07690	0.8
314.10992	0.5
314.14413	0.3
315.08640	0.8
322.11868	0.2
323.09097	0.7
323.12494	0.3
324.06161	0.3
324.09845	2.5
325.10675	41.7
326.07776	1.0
326.11230	8.0
327.08597	13.4
327.11777	0.7
328.09183	2.3
328.12689	0.3
329.10132	6.0
330.10519	0.4
339.12228	4.2
339.16006	0.3
340.13028	100.0
341.10037	8.2
341.13696	27.8
342.10892	22.7
342.14035	1.5
343.11597	5.0
343.15704	0.4
344.12003	0.4
353.13611	0.3
356.12512	19.1
357.12885	1.8
371.14859	53.9
372.15176	5.7
390.34531	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81506	0.5
52.23277	0.5
67.47443	0.5
69.33856	0.5
71.31364	0.8
79.05439	1.1
81.06992	1.3
81.07417	0.6
91.05453	2.6
93.07025	1.1
94.04141	0.8
105.06948	1.6
107.04878	1.9
107.08572	0.7
109.06448	1.0
115.05403	0.8
119.04896	0.7
121.06439	0.9
121.10085	1.5
122.03614	1.5
123.04352	0.8
125.05884	0.7
128.06158	0.7
129.06947	1.2
131.04868	1.2
131.08507	2.2
132.05678	0.7
137.05978	11.5
141.06903	0.6
144.05638	0.8
145.10052	1.7
149.05914	0.7
151.03819	0.8
156.05705	4.4
157.06462	1.2
159.08000	1.7
160.05145	0.6
161.05995	0.8
163.11116	2.1
167.07040	3.7
174.06866	0.8
175.07545	1.8
177.05513	0.8
178.07719	0.7
179.07014	0.8
181.04970	0.8
181.12158	0.7
185.04312	0.5
187.07533	2.8
189.09099	0.9
190.07539	0.7
191.07051	0.8
191.08775	0.7
191.10666	2.7
192.07831	2.1
193.10059	0.5
195.08002	0.6
203.05266	100.0
204.05638	3.0
206.07227	0.8
207.08087	0.8
209.11552	1.9
215.06839	1.0
215.08690	1.0
217.08578	10.4
218.07310	1.9
219.08138	1.1
219.10170	1.0
221.09685	1.7
223.07712	0.9
227.12769	0.8
231.08028	1.5
233.09630	1.7
234.06865	1.8
235.07529	1.6
238.09846	0.6
241.08463	0.6
247.07585	1.2
247.09834	2.3
248.08423	1.3
249.09206	3.4
250.09789	0.7
251.06984	1.1
252.07979	0.8
260.08228	0.6
261.09161	3.6
263.07135	1.6
263.10641	1.0
265.08643	1.1
266.09363	1.0
269.08340	1.0
276.07782	0.7
277.08548	3.8
278.09442	1.5
279.06778	0.9
279.10132	1.1
281.11740	1.7
283.09738	0.8
289.08780	1.3
291.10208	1.1
293.08377	1.3
293.11804	1.8
295.09854	0.9
300.10205	0.6
301.10822	0.6
307.09879	1.1
309.11157	3.9
311.12830	0.7
313.10764	0.7
321.11417	2.5
323.09235	1.0
326.11407	3.5
327.12445	1.2
338.11609	1.0
339.12543	2.5
340.12897	0.6
341.13986	1.6
351.03738	0.6
353.13818	5.2
371.16959	45.2
372.17215	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1489
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
55.01826	0.2
57.10784	0.1
57.11278	0.1
58.67188	0.1
59.04956	0.2
59.98515	0.1
69.03398	0.1
69.11491	1.3
75.04398	0.6
79.05457	0.1
89.60558	0.2
91.05392	0.4
93.07046	0.1
95.04921	0.2
98.23437	0.1
103.05411	0.2
109.06425	0.2
111.20609	0.2
115.05368	0.4
117.06956	0.3
125.05939	0.2
129.06897	0.3
131.04854	0.3
145.06355	0.5
151.05338	0.2
152.06134	0.4
153.05490	0.2
153.06911	0.7
155.06961	0.4
155.08423	0.2
157.06445	0.3
161.05896	0.2
163.05400	0.2
163.07487	0.4
165.05569	0.3
165.06912	1.3
166.07693	0.6
167.07217	0.2
167.08528	1.0
168.05658	0.2
169.06418	0.4
175.07472	0.2
176.06128	0.2
177.06909	0.4
178.07767	1.0
179.03476	0.2
179.08582	1.7
180.05667	0.3
180.09145	0.2
181.05148	0.2
181.06488	2.3
181.09999	0.6
182.07127	0.7
183.04294	0.2
183.08067	1.0
183.11621	0.2
184.08661	0.3
185.09695	0.1
189.06949	0.6
189.08777	0.2
190.07695	0.5
191.06929	0.5
191.08484	0.9
192.05582	0.2
192.09248	0.2
193.06514	0.8
193.10010	0.5
194.07193	1.1
195.06461	0.2
195.08058	3.0
196.05040	0.3
196.08810	1.2
197.05969	1.5
197.09486	0.7
198.06792	0.8
199.07423	0.5
200.08235	0.2
202.06073	0.2
202.07780	0.2
203.06860	0.3
204.05650	0.2
205.06462	1.0
206.07281	1.3
207.08049	3.5
208.05235	0.3
208.08847	1.4
209.05951	1.8
209.09573	1.8
210.06734	2.3
210.10237	0.5
211.03946	0.3
211.05685	0.2
211.07539	3.3
211.11148	1.3
212.08345	1.8
213.05479	0.9
213.09096	1.3
217.06514	0.2
217.08470	0.3
218.07210	0.4
219.08058	1.1
219.10004	0.2
220.05136	0.5
220.08755	0.7
221.05969	1.5
221.09547	1.5
222.06781	1.4
222.10220	0.5
223.03938	0.3
223.07524	4.2
223.10965	0.7
224.04710	0.3
224.08305	5.4
224.11694	0.2
225.05527	1.4
225.09009	2.2
226.06224	2.6
226.09663	0.7
227.07042	1.8
227.10565	1.5
228.07776	0.8
229.08617	0.2
232.08757	0.2
233.05968	0.8
233.09540	0.3
234.06743	1.5
234.10565	0.2
235.07529	5.7
236.04515	0.4
236.08267	4.3
237.05447	3.0
237.09045	3.7
238.06212	2.0
238.09830	1.7
239.03340	0.3
239.06932	3.6
239.10588	7.2
240.07698	3.8
240.10999	0.6
241.04863	2.4
241.08510	4.9
241.12163	0.8
242.05582	0.4
242.09114	0.5
243.06415	0.3
243.10089	0.4
246.06833	0.2
247.07430	0.8
248.08281	1.8
249.05446	0.9
249.09077	2.9
250.06219	1.4
250.09875	2.6
251.06970	7.3
251.10570	2.8
252.04202	0.2
252.07816	8.4
252.11234	0.8
253.04886	1.8
253.08475	3.9
253.12169	0.9
254.05630	1.7
254.09265	2.9
254.12903	0.9
255.06447	2.7
255.10075	5.1
256.07239	2.0
256.10587	0.4
257.04407	0.2
257.07886	0.5
261.09180	0.3
262.06302	0.3
263.04285	0.3
263.07028	3.8
263.10352	0.3
264.04507	0.2
264.07788	3.7
265.04956	1.4
265.08521	5.8
266.05722	1.0
266.09256	4.7
267.06531	4.2
267.10086	19.1
268.07227	5.4
268.10577	2.5
269.04413	1.9
269.07983	5.4
269.11609	2.2
270.05142	0.4
270.08704	1.4
270.12314	0.7
271.05978	1.0
271.09549	1.8
276.07654	0.5
277.05627	0.2
277.08612	1.6
278.06088	0.3
278.09360	4.3
279.06473	3.7
279.10083	8.3
280.07236	6.5
280.10703	2.3
281.04462	0.8
281.07980	4.9
281.11627	4.5
282.05478	0.6
282.08801	8.1
282.12418	10.3
283.05994	2.3
283.09564	9.7
283.12936	1.5
284.06818	11.9
284.10181	1.7
284.13495	0.3
285.07367	2.2
285.11099	0.8
285.14737	0.5
292.07477	0.3
292.10861	0.6
293.08093	2.7
293.11270	0.3
294.05405	0.3
294.08826	4.1
295.06064	3.4
295.09595	31.0
296.06693	3.8
296.10104	3.7
297.04013	0.6
297.07501	3.4
297.11151	11.5
298.04813	0.3
298.08258	5.4
298.11871	5.4
299.05530	1.8
299.09091	11.4
299.12488	1.0
300.06259	0.2
300.09552	1.2
300.12869	0.2
301.10699	0.2
307.09531	0.9
308.06729	0.5
308.10303	0.9
309.07538	3.8
309.11154	15.1
310.08289	7.0
310.11877	36.1
311.05402	0.6
311.09036	9.9
311.12515	4.8
312.06201	1.5
312.09808	5.0
312.13440	0.6
313.06891	1.0
313.10614	6.0
313.14291	11.0
314.07901	1.1
314.11090	0.5
314.14276	0.8
315.08426	0.5
323.09000	0.6
323.12698	0.7
324.09909	1.3
324.13281	0.3
325.10672	41.5
326.07700	1.8
326.11285	10.3
327.08609	10.8
327.11856	0.6
328.09192	1.5
329.10162	6.2
329.14087	0.3
330.10446	0.5
339.08585	0.3
339.12247	2.2
340.13034	100.0
341.10074	10.8
341.13754	55.3
342.10831	20.4
342.14294	3.5
343.11630	5.0
343.15341	0.3
344.11929	0.3
356.12512	21.6
357.12894	2.0
371.14871	55.4
372.10587	0.3
372.15247	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.149
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
59.04996	1.6
67.05507	0.4
71.32709	0.3
75.04481	2.1
83.12090	0.3
91.05475	0.5
93.07072	0.3
95.04926	0.3
95.08614	0.3
100.51733	0.3
101.46531	0.3
115.05476	0.3
117.06996	0.3
140.04633	0.4
145.06494	0.8
151.02652	0.3
152.06186	0.5
153.07007	0.4
155.07066	0.6
161.06032	0.3
165.05591	0.5
165.06856	1.3
166.07761	0.5
167.08563	1.1
169.06424	0.4
170.07195	0.4
173.05913	0.4
177.06961	0.3
178.07779	1.1
179.03413	0.3
179.08598	1.5
180.09344	0.3
181.06471	2.2
181.10074	0.5
182.07271	0.7
183.08043	1.2
189.05447	0.4
189.07008	0.4
191.08582	0.7
193.06558	0.7
193.10091	0.6
194.07314	0.9
195.08047	2.9
196.08887	1.6
197.05989	1.2
197.07700	0.3
197.09589	0.6
198.06738	1.0
199.07462	0.6
204.07773	0.3
205.06477	0.8
206.07210	0.7
207.08026	3.6
208.05165	0.4
208.08751	0.9
209.05969	1.8
209.09384	1.4
210.06715	1.8
210.10271	0.4
211.07529	2.8
211.11128	0.9
212.08357	1.5
213.05455	1.0
213.09058	1.6
218.07352	0.3
219.08026	0.9
219.10031	0.4
220.05251	0.6
220.08858	0.5
221.05975	1.2
221.09547	1.4
222.06694	1.0
222.10249	0.3
223.07518	3.7
223.11157	0.3
224.04662	0.3
224.08296	4.5
225.05588	1.3
225.09013	2.3
226.06242	2.1
227.07054	2.3
227.10645	1.0
228.07695	0.5
229.08469	0.3
233.05981	0.5
234.06773	1.0
235.07520	6.5
235.09897	0.4
236.04651	0.6
236.08270	3.8
237.05470	2.9
237.09035	3.0
238.06215	1.7
238.09811	1.7
239.03514	0.3
239.07022	3.8
239.10641	6.2
240.07758	3.1
240.11205	0.6
241.04918	2.0
241.08574	4.7
241.11084	0.3
241.12152	0.5
242.05711	0.5
242.09337	0.4
243.10132	0.5
247.07475	0.4
248.08333	0.7
249.05467	1.0
249.09059	1.3
250.06267	1.6
250.09837	1.0
251.07019	6.3
251.10571	1.8
252.03969	0.4
252.07785	8.3
252.11185	0.6
253.04903	1.5
253.08546	4.2
253.11125	0.4
253.12085	0.3
254.05696	1.4
254.09364	2.4
254.13097	0.5
255.06520	2.3
255.10190	2.9
256.07162	1.5
256.10544	0.4
257.08026	0.8
263.07025	3.9
264.07733	2.5
265.05057	1.3
265.08585	7.7
266.05722	1.4
266.09338	4.0
267.06564	4.7
267.10135	18.0
268.07254	5.6
268.10696	2.1
269.04477	2.1
269.08051	5.0
269.11658	1.9
270.05325	0.5
270.08801	1.3
270.12027	0.5
271.06018	1.3
271.09564	1.0
277.08585	1.1
278.05746	0.9
278.09357	1.3
279.06522	4.0
279.10123	4.7
279.12924	0.5
280.07263	4.1
280.10709	1.2
281.04556	1.0
281.08054	6.6
281.11658	1.9
282.05450	0.7
282.08820	8.1
282.12460	6.1
283.06042	1.6
283.09589	6.9
283.12933	1.2
284.06812	10.8
284.10187	1.3
285.07458	2.7
285.10699	0.5
286.08234	0.6
293.04791	0.5
293.08066	6.4
293.11212	0.4
294.05289	1.0
294.08780	4.7
295.06076	2.7
295.09583	21.5
296.06723	4.2
296.10187	3.3
297.04016	0.7
297.07544	3.8
297.11188	17.8
298.08264	4.0
298.11868	3.6
299.05524	1.4
299.09070	9.2
299.12604	1.0
300.09595	0.9
301.10657	0.7
307.09708	1.0
308.06973	0.4
308.10294	1.6
309.07532	6.5
309.11188	9.2
310.08252	8.7
310.11948	12.2
311.05756	0.5
311.09061	8.1
311.12598	2.3
312.06287	1.1
312.09821	3.9
312.13354	0.7
313.06958	1.2
313.10620	5.0
313.14343	4.9
314.07675	1.2
314.11172	0.6
314.14581	0.4
315.08582	0.6
323.09052	0.7
323.12610	0.4
324.09805	2.6
325.10672	41.1
326.07840	0.7
326.11243	6.9
327.08609	10.6
327.11789	0.5
328.09464	1.8
328.13000	0.5
329.06403	0.4
329.10190	5.7
329.13809	0.3
330.10776	0.5
339.12247	5.4
340.13025	100.0
341.10019	7.7
341.13687	27.1
342.10873	20.1
342.14114	1.5
343.11630	6.5
343.15665	0.6
356.12500	19.8
357.13080	1.6
371.14822	53.3
371.18561	3.1
372.15173	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
53.03926	4.6
55.05505	4.4
55.94325	3.1
59.04989	4.6
59.67023	3.0
61.02922	4.9
65.03893	3.6
67.05502	7.3
68.63700	2.8
69.07079	19.3
69.20865	27.4
69.21175	7.2
69.43643	3.4
69.72117	2.7
70.49084	3.1
71.04996	5.0
75.04488	7.7
79.05495	14.8
81.07059	88.9
85.37418	3.5
91.05489	4.4
93.07050	5.6
99.04477	6.5
100.28452	3.2
101.06045	15.6
109.06516	20.4
113.05994	4.3
114.63017	3.2
115.05412	4.1
117.06992	3.5
119.08607	3.6
123.08057	7.8
128.06264	4.0
129.05458	7.2
137.05972	3.8
139.07559	3.7
140.38324	3.0
141.06989	3.8
141.09117	44.0
145.06516	5.2
156.36525	3.7
161.05888	3.5
165.06961	7.5
167.08472	3.5
168.05646	3.4
169.06488	6.6
175.03883	7.8
178.07861	7.7
179.08583	4.0
181.06491	4.0
183.04477	4.7
183.08012	5.3
185.06027	7.0
192.09299	3.4
193.10185	6.9
195.08040	9.6
196.05144	5.1
197.06018	11.3
197.09534	4.8
198.06714	3.7
199.03874	9.7
199.07509	7.9
201.05482	4.9
209.05949	9.8
209.09590	7.8
210.10283	4.3
211.03941	4.4
211.07480	9.6
211.11220	3.8
212.04716	11.7
213.05515	16.0
214.06108	5.4
220.19287	3.4
221.06096	4.8
221.09596	23.0
223.07552	14.7
224.08273	10.6
225.05437	13.4
225.09055	7.1
226.06210	19.2
227.03374	9.1
227.06982	10.8
229.04910	17.9
230.05626	6.6
231.06447	3.8
234.06721	4.9
235.07478	8.8
236.08366	5.6
237.05453	8.1
237.09059	10.3
238.06216	7.0
238.09776	6.5
239.03387	7.6
239.06989	21.6
240.04155	11.7
240.07635	4.9
241.04854	8.6
241.08623	8.9
242.05699	7.4
243.06505	9.8
244.07268	7.7
249.05418	4.6
249.09116	18.9
250.06133	11.4
250.09676	4.1
251.07019	14.5
251.10513	5.5
252.04126	4.7
252.07791	14.3
253.04971	11.6
253.08583	24.8
253.12180	8.3
254.05711	5.7
255.06590	20.3
255.10243	4.5
256.07306	5.4
257.04410	15.2
257.08017	5.7
259.05811	5.3
263.07071	18.6
263.10620	5.9
264.07816	21.2
265.05096	4.0
265.08490	15.1
266.05713	9.9
266.09470	6.8
267.06552	14.1
267.10095	10.1
268.03714	8.4
268.07211	6.8
269.04251	5.2
269.08057	8.5
270.05252	3.9
271.05905	12.1
272.06766	8.5
273.07523	14.3
277.08643	12.0
278.09360	10.9
279.06512	18.5
279.10165	35.5
280.07178	6.7
280.10608	5.1
281.05203	3.2
281.08075	21.5
281.11703	34.3
282.05411	3.7
282.08676	13.8
282.11893	5.5
283.06036	72.0
283.09512	10.6
284.03275	6.1
284.06406	6.6
285.03873	19.9
285.07584	13.8
285.10770	4.1
287.05438	12.0
291.06522	5.5
292.06995	6.7
293.08075	9.2
294.08829	4.9
295.06030	13.7
295.09610	12.4
296.06891	7.4
296.10287	6.1
297.07608	15.8
297.10791	4.2
298.08173	6.5
299.05542	28.0
299.09030	5.8
300.06281	64.8
301.06973	22.0
302.07880	48.8
303.08560	16.5
306.08847	6.3
307.09674	33.4
308.10321	5.7
309.07513	12.8
309.11203	16.1
310.08246	15.1
310.11856	6.9
311.09091	28.8
311.12769	63.6
312.09924	4.6
312.13129	7.6
313.06946	11.3
313.14285	20.7
315.08682	57.1
316.09039	5.9
321.11221	18.3
323.12756	3.6
324.09979	9.5
325.10471	5.3
329.10107	6.7
339.12277	100.0
340.13000	23.7
341.13885	29.0
342.14276	4.6
353.13843	13.1
353.18478	3.8
371.14917	95.2
371.19543	4.9
372.15067	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.149
Annotation	1-Hydroxy-3,5,6-trimethoxy-2-(3-methylbut-2-enyl)xanthone
Peak:m/z	Relative Intensity
51.91639	1.6
69.07069	8.2
69.51199	8.3
70.84527	1.3
74.33849	1.4
76.98832	1.3
93.07080	2.8
98.22778	3.4
102.27174	1.5
102.92771	1.3
107.08578	1.5
147.70479	1.6
156.05559	1.6
167.08582	2.5
168.05750	2.2
169.06505	3.4
170.07224	1.8
171.08139	2.8
171.53053	1.8
173.06033	2.1
181.06519	2.8
183.04425	3.0
183.08067	1.7
184.05280	2.4
185.06024	3.5
187.03882	1.8
193.10085	2.9
195.04431	1.9
195.08095	3.4
196.05179	3.6
197.06029	5.1
198.06702	3.4
199.04045	2.0
199.07556	4.5
201.05452	3.8
205.08572	1.9
207.08131	2.0
209.05978	2.7
209.09648	1.8
211.03934	3.6
211.07487	4.3
212.04614	3.5
213.05489	6.1
214.06209	2.5
215.07179	2.5
216.07832	1.8
221.06033	2.2
221.09557	3.6
223.07552	6.2
224.08325	2.9
225.05528	5.5
225.09071	3.5
225.12590	2.8
226.06325	14.8
227.03395	4.6
227.06953	4.5
228.04204	2.2
229.04974	16.9
230.05408	2.5
231.10207	2.0
234.06682	2.3
235.07483	2.8
237.05469	3.3
238.09897	2.4
239.07024	6.1
239.10690	2.7
240.04074	4.1
241.05005	4.9
241.08603	2.8
242.05736	4.3
243.06586	6.7
244.07329	10.1
245.07933	3.5
249.05525	2.2
249.09099	6.2
250.06303	3.9
251.07097	5.1
251.10684	1.8
252.07806	2.8
253.05060	4.5
253.08678	5.0
253.12239	6.1
254.05688	3.4
255.06619	6.2
255.10222	4.3
256.03680	3.1
256.07199	2.8
257.04465	19.1
257.08044	4.2
258.08832	2.6
263.07040	3.5
264.07690	2.9
265.05078	3.8
265.08536	3.7
266.05527	2.1
266.09369	2.4
267.06488	5.5
267.10223	4.4
268.03760	2.4
269.04517	2.3
269.07953	3.8
270.05371	3.6
271.06189	4.0
271.09644	4.2
272.06683	4.0
273.07590	8.5
277.08588	2.4
279.06723	7.6
279.10153	6.2
280.10718	2.0
281.04413	1.8
281.08020	4.3
281.11716	14.5
282.05508	2.0
282.08926	3.0
282.12283	3.3
283.06042	16.0
283.09601	4.8
284.03195	8.0
284.06345	3.3
284.10324	3.2
285.03967	20.6
285.07620	8.9
285.14920	2.6
286.04315	2.4
287.05521	6.7
287.09207	2.3
291.10501	1.6
292.07346	2.1
295.06052	6.5
296.06784	2.6
297.07608	8.7
298.04709	5.6
298.11914	3.3
299.05527	45.3
299.08847	3.1
299.12680	2.5
300.06281	100.0
301.06967	20.0
302.07819	52.8
303.08441	11.1
307.09595	12.6
308.09976	2.3
309.07578	5.4
309.11279	7.2
310.08325	9.3
310.11526	3.7
311.09042	7.6
311.12787	15.0
312.09894	2.4
313.07135	11.8
313.10507	2.5
313.14316	22.6
314.07791	3.1
314.14606	2.2
315.08636	68.4
316.09088	4.3
321.11111	1.9
323.12622	2.4
324.09869	1.9
325.10696	2.4
326.07419	2.9
326.11176	1.7
327.08173	7.7
329.10162	11.2
339.12341	13.6
340.12930	7.4
341.10010	1.5
341.13852	26.2
342.14023	3.0
371.14697	54.2
372.15222	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.149
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
56.85103	0.7
67.05619	0.9
69.07201	1.2
69.47779	1.3
69.48184	2.9
69.66660	0.7
82.20068	0.8
91.05621	1.1
93.07185	1.6
98.23371	1.3
105.07250	1.0
107.08768	1.1
119.08755	1.0
121.06651	1.4
127.37030	0.6
132.38405	0.7
133.06726	0.9
141.07191	0.7
145.06615	1.1
155.08691	1.0
165.05710	8.0
165.07042	1.7
166.06499	0.8
167.08656	1.0
169.06581	1.5
173.06183	2.0
173.09848	0.7
175.04126	0.6
178.07848	1.2
179.08823	2.4
181.06680	1.8
182.07387	0.8
183.04567	0.7
183.08202	2.0
187.07922	0.6
189.05629	0.9
190.06252	0.9
190.07906	0.9
191.07191	0.9
191.08733	1.2
192.09532	1.1
193.06793	1.3
193.10333	2.7
195.08253	2.0
195.11719	0.8
196.09010	1.3
197.05956	3.4
197.09798	1.0
198.06822	1.3
199.07594	1.0
202.07855	1.2
203.08728	1.0
204.09529	0.6
205.06721	1.9
207.08266	2.0
207.11861	1.2
208.08984	1.5
209.06122	1.8
209.09637	1.7
210.06828	1.7
210.10681	2.2
211.04156	0.7
211.07587	4.1
211.11281	1.1
212.08430	1.0
213.05653	2.1
215.03580	0.8
217.05101	1.1
218.07552	0.9
219.06470	1.2
219.08339	1.9
220.08987	2.1
221.06183	2.4
221.09583	4.4
222.06920	1.3
223.07503	4.6
223.11363	1.0
224.04858	0.9
224.08513	2.3
225.05675	2.6
225.09290	2.6
225.12819	1.2
226.06224	4.2
227.07166	2.3
227.10756	0.9
229.05132	3.2
231.08232	1.6
232.09015	0.9
233.06223	1.1
234.06915	1.5
235.07425	3.8
235.11346	2.6
236.08275	6.8
237.05606	2.0
237.09099	3.7
238.06270	1.4
238.09831	3.3
239.03497	0.8
239.07150	4.1
239.10730	3.3
240.04269	1.3
240.07965	2.4
241.05098	2.8
241.08748	3.3
241.12453	0.8
242.03534	0.7
242.05907	2.3
242.09242	0.8
243.06537	1.0
247.07654	2.1
248.08357	4.3
249.05583	1.5
249.09171	6.2
250.06343	1.3
250.09814	1.1
251.07080	5.4
251.10681	7.7
252.04149	0.9
252.07767	4.1
252.11577	1.6
253.04904	1.5
253.08607	4.3
253.12190	3.6
254.05862	3.1
254.09474	2.0
255.03169	0.8
255.04012	1.0
255.06662	7.3
255.10310	1.8
256.04050	1.2
256.07468	3.2
257.04550	1.9
257.08063	1.3
261.09195	1.1
263.07108	4.1
263.10614	4.5
264.07843	3.1
264.10977	0.8
265.05093	1.0
265.08670	5.9
265.11154	0.9
266.06125	0.9
266.09439	4.6
267.06766	2.8
267.10248	8.1
268.07410	3.2
268.10675	3.5
269.04672	2.0
269.08185	7.0
269.11304	1.5
270.05374	3.6
270.08789	1.2
271.06024	3.2
271.09418	1.1
276.07843	1.0
277.08539	4.3
278.09265	3.7
279.06653	5.3
279.10281	17.6
280.07346	2.7
280.10876	3.7
281.08130	5.5
281.11807	6.7
282.05615	0.8
282.08865	3.2
282.12479	3.6
283.06143	8.3
283.09656	3.5
283.13339	4.0
284.06845	5.3
284.09827	1.1
285.07620	2.7
287.05563	1.4
288.06284	1.9
291.06827	1.4
291.10202	2.8
292.10727	0.9
293.08130	4.2
293.11774	4.4
294.08936	6.4
294.12109	1.0
295.06061	2.4
295.09711	8.4
295.13046	1.1
296.06760	2.6
296.10455	4.5
296.13293	0.9
297.07639	9.2
297.11267	8.4
298.08310	2.1
298.11661	1.5
299.09149	5.2
301.07117	2.4
302.07803	8.5
303.08270	0.9
306.08972	2.8
307.09702	2.3
308.10568	2.6
309.07581	5.3
309.11136	33.0
310.08298	4.8
310.11890	8.2
311.09186	5.8
311.12802	7.8
312.09854	2.0
313.10638	2.3
313.14331	3.3
315.08521	3.9
316.09280	1.3
321.11124	8.0
322.11902	1.7
323.09021	1.0
323.12494	1.5
324.09958	3.0
324.13303	1.3
325.10718	16.8
325.14282	1.7
326.11340	3.9
327.08688	5.7
328.09274	1.7
329.10168	6.8
339.12262	100.0
340.12958	46.4
340.16324	0.9
341.10117	2.9
341.13748	19.0
342.10800	10.4
342.14172	1.1
343.11481	2.5
353.13889	7.0
356.12381	8.9
356.15808	0.8
357.12958	0.9
371.14752	27.6
372.15152	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.2
57.07075	3.0
59.04990	2.3
67.05488	3.3
69.07064	11.2
71.31722	2.7
79.05497	4.3
80.63324	1.7
81.07072	8.7
87.04474	4.0
91.05455	3.5
93.07043	6.6
95.08612	6.3
99.08131	2.0
100.21848	1.7
105.07032	6.4
107.08594	7.2
107.75298	1.6
109.10177	3.5
115.05413	2.1
117.07029	2.2
119.08570	4.9
121.10139	5.5
123.11729	3.4
124.45509	1.8
128.13042	2.0
131.08577	2.5
133.10129	4.8
135.11737	3.9
138.96529	1.8
141.09073	2.0
141.84940	1.9
147.11777	2.1
155.04869	2.7
157.10114	3.1
159.04326	1.8
159.11679	2.2
161.13300	2.0
167.08542	2.1
168.05716	2.6
169.06485	5.6
175.11241	1.8
175.14922	3.0
181.06432	4.2
183.04393	2.3
183.08092	2.3
185.06020	3.1
191.07018	1.8
193.10095	2.7
195.08057	4.5
196.05263	3.4
196.08739	2.6
197.05977	8.0
198.06813	3.5
199.03885	2.4
199.07556	4.9
201.05389	4.1
205.08589	3.7
206.07190	2.1
209.05907	2.6
210.10403	2.6
211.07562	7.0
212.04604	3.1
213.05408	5.0
213.57384	1.9
214.06189	2.3
216.04187	1.8
217.08447	2.2
219.06483	2.4
221.09639	4.6
223.07542	6.5
224.08308	3.9
224.11835	2.3
225.05434	5.9
225.09193	2.3
226.06242	12.4
227.03419	4.5
227.06870	5.9
229.04965	15.3
231.99910	1.9
235.07529	2.7
237.05487	5.3
237.09119	3.5
238.09766	3.8
239.07068	7.1
239.10568	4.0
240.04256	3.9
241.04893	4.3
241.08525	4.4
242.05798	3.4
243.06505	5.0
243.21062	1.8
244.07329	11.7
249.09004	5.5
250.06291	4.7
251.07097	6.7
252.07782	4.3
253.04849	2.8
253.08585	5.4
253.12187	4.5
254.05690	3.0
255.06488	7.3
255.10075	4.1
256.07224	4.2
257.04486	15.3
257.08087	3.1
258.08859	3.6
259.09595	2.3
263.07022	2.7
265.04935	5.4
265.08578	4.5
266.09335	2.9
267.06613	9.5
267.10083	5.8
268.03732	3.0
268.06900	1.9
269.04474	2.2
269.08051	4.9
271.05960	5.6
271.09708	3.6
272.06738	5.9
273.07605	10.0
275.50327	1.8
277.08594	3.5
278.09299	3.8
279.06488	6.3
279.10257	5.4
280.10690	2.3
281.08011	5.0
281.11734	11.4
282.05219	2.8
282.08948	3.6
282.12289	4.1
283.05991	17.8
283.09116	3.2
284.03159	7.6
284.06531	4.0
284.10339	4.3
285.03894	21.2
285.07516	8.0
285.14795	4.6
287.05399	4.3
293.08072	3.9
293.11444	2.7
294.08780	2.3
295.06000	4.4
295.09470	3.8
295.13260	2.2
296.06796	2.9
297.04208	3.1
297.07593	9.3
297.10986	3.2
298.04642	5.5
298.07913	2.0
298.12073	2.4
299.05563	50.2
299.09131	4.3
299.12656	3.1
300.06253	100.0
301.06967	20.1
302.07822	54.6
303.08469	10.7
307.09528	10.4
308.10312	2.8
309.07516	7.4
309.11264	10.8
310.08316	9.5
310.11850	3.3
311.09158	7.7
311.12769	17.3
312.06116	4.0
312.09818	2.9
313.07062	16.6
313.10883	3.3
313.14273	20.4
314.07681	5.1
315.08603	78.5
316.09061	5.9
321.11066	2.4
323.12823	2.1
325.10562	5.0
326.11218	2.4
327.08069	10.9
329.10098	11.9
339.12201	21.0
340.13010	15.4
341.10184	2.0
341.13806	30.6
342.10370	2.8
342.14243	3.9
356.12283	4.5
370.40326	2.5
371.14539	64.3
371.29208	5.5
372.15088	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58066	0.3
69.03405	0.3
69.49372	1.6
70.06587	0.7
73.04730	0.3
73.68571	0.3
86.09710	0.4
91.05821	0.7
111.08746	0.3
116.07161	0.3
133.02831	0.3
137.05971	0.4
139.03949	0.6
147.04411	0.4
148.04756	0.5
151.03891	0.5
160.07651	0.5
163.03886	0.8
177.05453	0.4
181.03474	1.4
185.04282	0.5
187.47574	0.3
191.10443	0.5
194.75922	0.3
199.04510	0.6
203.05273	1.9
209.04562	0.8
209.07834	1.7
209.11574	0.4
311.04117	0.5
329.04999	0.9
353.15753	0.4
371.16766	100.0
372.17059	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59419	0.3
69.02322	3.6
92.71132	0.3
98.22492	0.4
110.52799	0.3
115.51496	0.4
116.43327	0.5
155.21219	0.4
164.93251	0.4
186.67064	0.4
191.10477	1.4
203.05260	2.5
209.07869	2.5
209.11462	3.3
213.78587	0.4
255.32230	0.5
341.15729	0.6
353.13971	0.5
371.16754	100.0
372.17056	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1678
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
55.05499	1.0
57.96007	0.3
67.05506	0.4
69.03409	0.6
69.07040	0.4
71.19463	0.4
79.50153	0.3
81.07031	0.3
82.06606	0.3
83.04984	0.9
83.08617	0.4
84.49040	0.3
85.02900	0.8
88.12931	0.3
91.05469	0.3
93.07018	0.4
95.04945	0.3
97.02882	0.3
100.07611	1.2
100.11259	1.7
107.04958	0.9
109.10156	0.5
111.04434	1.2
123.04409	0.3
126.09229	0.3
128.07088	1.1
133.02840	0.5
133.10141	0.4
134.03212	0.6
139.03918	0.3
146.06029	0.8
152.04257	0.4
161.02354	0.4
162.02687	0.4
163.03918	0.4
173.13358	0.3
177.05502	0.3
179.03445	1.3
180.03745	1.3
182.15440	2.5
191.14314	0.6
192.06577	0.4
203.05272	3.4
209.07736	0.4
209.11536	1.1
209.15291	0.4
210.14900	3.7
227.17552	0.9
228.16000	0.4
244.20226	0.8
284.88351	0.3
336.22760	0.4
337.21185	1.5
353.15622	0.5
354.23813	1.9
371.16776	100.0
372.17117	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1675
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
51.68944	0.3
54.10875	0.3
55.98161	0.2
69.03418	0.5
69.84631	0.3
69.84980	1.0
75.40043	0.2
79.05473	0.4
81.03394	0.3
81.82182	0.2
84.12419	0.3
85.02894	1.2
93.07035	0.7
95.08590	0.3
97.02843	0.3
98.23324	0.4
99.04528	0.3
99.58414	0.3
105.07061	0.6
105.42418	0.3
107.04944	0.6
107.08614	0.5
109.02747	0.3
119.08610	0.4
121.10152	0.9
127.03944	0.3
133.10136	0.4
136.10970	0.3
145.10077	0.3
149.09615	11.7
150.09958	0.5
173.05984	0.2
191.14334	0.9
209.11473	2.6
209.15355	2.7
371.16745	100.0
372.17084	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1676
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
51.03081	0.3
55.05501	0.6
57.03403	0.4
67.05499	1.1
69.03432	1.8
69.07067	0.8
69.11349	0.3
71.04991	0.5
71.19498	0.4
79.05530	0.4
81.03409	0.4
81.07057	1.3
83.04970	0.7
85.02905	3.4
91.05481	0.7
93.07018	1.7
95.04974	0.5
95.08607	6.5
97.02885	0.8
97.06512	1.6
99.04463	0.5
105.07035	1.5
107.08583	2.2
109.02942	0.4
109.06520	1.2
109.10158	1.4
119.08599	1.1
121.10164	1.7
123.11709	0.4
127.99120	0.3
129.07033	0.5
131.08580	1.1
132.76460	0.3
133.10126	13.7
134.10483	0.4
135.08054	1.0
135.11707	0.3
137.06023	0.4
140.43994	0.3
142.32623	0.3
145.04950	0.4
145.10141	0.5
147.11664	0.6
148.72112	0.3
149.09608	7.0
149.13277	1.2
151.11188	2.2
158.10910	0.7
163.11311	0.3
163.14810	0.7
165.12752	0.4
173.13297	4.1
191.14287	7.6
204.02420	0.3
209.11536	2.6
209.13441	0.4
209.13756	0.4
209.15382	2.9
339.12354	0.5
371.16751	100.0
372.12729	0.3
372.17099	7.8
372.21780	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43559	0.6
56.38513	0.6
69.02190	1.0
69.02598	4.2
69.03429	1.0
69.07026	0.6
76.49132	0.5
79.05473	0.9
81.07030	0.6
91.05444	1.9
93.07040	0.8
98.23409	0.9
107.04932	1.1
107.08574	1.2
109.06458	0.6
119.08524	0.8
121.06477	0.5
125.09589	1.2
128.06192	0.6
129.06929	0.5
131.08557	0.8
137.06004	4.5
143.03156	1.1
149.09549	0.6
156.05684	1.3
159.08028	0.7
167.07030	1.8
175.07553	1.0
187.07423	0.9
191.10663	1.0
192.07832	0.9
203.05267	100.0
204.05591	3.1
209.11508	1.4
209.15334	0.7
217.08551	2.7
218.07430	0.8
219.08000	1.1
219.10083	0.6
223.07619	0.7
223.29742	0.7
228.78387	0.6
233.09589	1.4
234.06760	1.0
235.07587	0.8
247.09680	1.0
249.09190	2.3
252.07768	0.8
261.09137	1.4
264.07990	0.7
265.22897	0.6
266.09344	0.7
277.08713	1.6
278.09430	0.9
281.08426	0.6
281.11826	0.9
291.10248	0.7
292.10770	0.6
293.11844	1.7
309.11322	1.4
321.11319	1.3
326.11703	1.4
327.12070	0.7
339.12320	4.7
340.13034	0.6
341.14047	0.7
353.14017	1.6
371.16846	38.5
372.17096	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1858
Annotation	(-)-Aristoligone
Peak:m/z	Relative Intensity
53.20109	0.2
55.05483	0.6
59.04980	0.3
69.07034	0.4
69.51466	0.6
69.51878	0.4
75.04465	0.4
79.05466	0.4
81.07040	0.4
83.08611	0.4
88.81909	0.2
91.05466	0.3
94.04157	0.2
94.68744	0.2
95.08572	0.3
98.23309	0.4
99.08105	0.2
105.07029	0.2
109.06479	0.4
114.35786	0.2
121.06503	0.2
121.09264	0.2
123.08023	0.2
128.06190	0.3
129.06995	0.3
130.30710	0.2
137.05940	0.5
145.06442	0.3
151.07521	0.7
157.06500	0.3
159.08002	0.6
165.05493	3.1
165.06897	0.6
166.05838	0.2
167.07103	0.3
167.08604	0.3
169.06516	0.4
171.08073	0.2
173.05960	0.3
175.07507	0.2
176.08221	0.3
179.08546	0.3
181.06496	0.9
181.08522	0.7
182.07280	0.5
183.08040	1.1
184.05219	0.5
185.05925	0.5
185.09610	0.3
187.07509	0.5
188.08305	0.2
189.09128	0.6
195.08051	1.2
196.08789	0.3
197.05942	1.6
198.06758	0.8
199.07532	1.1
200.04655	0.3
200.08276	0.2
201.09119	0.3
203.08748	0.3
203.10649	0.4
204.11407	0.7
205.08586	0.4
205.12167	0.4
206.07260	0.2
207.07996	0.4
207.11708	0.4
208.08807	0.3
209.05934	0.5
209.09476	0.2
210.06699	0.9
210.10248	0.2
211.07576	2.8
211.11058	0.4
212.04709	0.5
212.08220	1.2
213.05507	1.5
213.09122	2.2
214.06171	0.7
214.09602	0.3
215.07001	1.3
216.07648	0.2
219.08093	0.4
219.09999	0.3
220.08894	0.3
221.09726	0.4
221.11661	0.3
222.10338	0.4
223.07483	1.4
223.11125	0.5
224.04628	0.2
224.08253	0.4
225.05508	1.3
225.09076	1.5
225.12579	0.2
226.06224	2.1
226.09703	0.5
227.07019	21.9
227.10675	0.9
228.07526	2.4
228.11230	0.3
229.04982	0.4
229.08490	1.2
231.10181	0.2
233.07941	0.2
233.11754	0.3
234.10338	0.3
235.07492	0.7
235.11057	0.5
235.13190	0.2
236.08282	0.4
237.05447	0.7
237.09056	0.8
237.12701	0.6
238.06186	0.3
238.09828	0.5
239.07004	1.8
239.10628	0.9
240.07759	2.6
241.05069	1.0
241.08577	6.2
242.05702	1.0
242.09352	2.5
243.06525	3.5
243.10127	1.0
244.07141	0.5
245.08008	0.5
249.09030	1.2
250.06120	0.3
250.09834	0.8
251.07005	2.0
251.10661	0.9
252.07762	1.2
252.11244	0.3
253.05032	0.8
253.08528	1.6
253.12286	1.2
254.05669	1.0
254.09303	0.9
254.12927	0.8
255.06548	1.9
255.10133	3.1
256.03580	0.3
256.07281	2.0
256.10840	0.6
257.08060	6.3
257.11911	0.4
258.08850	2.0
259.09579	0.6
261.09207	0.2
263.07056	0.4
263.10666	0.6
264.07922	0.3
264.11377	0.6
265.09018	1.1
265.12225	1.8
266.05829	0.3
266.09344	1.4
266.12888	0.8
267.06888	1.2
267.10077	1.8
267.13498	0.4
268.07266	3.2
268.10767	0.6
269.04959	0.3
269.08075	8.5
269.11536	0.8
269.15283	0.8
270.05930	0.3
270.08762	2.3
270.12204	0.4
271.06009	6.0
271.09613	6.3
271.12717	0.4
272.06750	0.4
272.10300	1.2
273.07523	0.6
273.11163	0.9
277.08521	0.4
278.09286	0.8
278.13043	0.4
279.06522	0.5
279.10126	1.4
279.13766	0.8
280.07547	0.2
280.10822	0.5
280.14392	0.4
281.08051	1.6
281.11673	2.9
282.05920	0.2
282.08823	1.4
282.12415	1.6
283.06311	0.4
283.09647	4.6
283.13113	0.6
284.06876	0.6
284.10388	5.7
285.07541	2.6
285.11102	2.4
285.14734	0.7
286.08377	6.9
286.11777	0.6
287.09061	1.3
288.09830	0.6
291.09991	0.2
292.10831	0.3
293.08438	0.3
293.11673	2.1
294.08807	0.6
294.12433	1.3
295.09625	2.2
295.13229	0.9
296.07050	0.3
296.10370	1.6
296.14050	0.6
297.07593	0.6
297.11115	1.5
297.14783	2.8
298.08481	0.4
298.11899	1.5
299.05667	0.3
299.09103	4.1
299.12720	1.6
300.06873	0.2
300.09909	1.4
300.12900	0.3
301.10690	20.0
302.11090	1.8
303.12225	0.3
306.38031	0.2
307.13217	0.5
308.14032	0.5
309.07837	0.2
309.11160	2.9
309.14804	1.4
310.11890	2.0
310.15472	0.7
311.09064	0.9
311.12732	1.9
311.16370	0.9
312.09723	0.5
312.13278	0.4
313.07300	0.2
313.10602	1.2
313.14307	5.0
314.07986	0.4
314.11429	1.1
314.14703	0.4
315.08643	0.5
315.12216	2.7
323.12943	0.3
324.09830	0.2
324.13458	0.6
325.14328	35.1
326.11334	0.8
326.14734	3.0
327.08521	0.5
327.12238	1.9
327.15878	0.8
328.12741	0.5
328.16516	0.3
329.10098	1.4
329.13885	0.9
339.12177	1.5
339.15945	3.0
340.16678	64.6
341.13742	10.5
341.17224	6.8
342.10733	0.7
342.14343	1.1
343.15253	0.2
343.19031	0.5
355.15359	0.8
356.12692	0.4
356.16168	6.7
357.16660	1.0
371.18521	100.0
372.18994	14.8
372.23932	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.3
53.03950	1.6
55.05507	0.3
60.25053	0.2
65.03954	0.5
66.04732	1.2
68.99785	0.3
69.03418	0.5
69.07055	0.2
69.35043	0.5
69.35455	0.7
77.03914	0.6
79.01872	0.3
79.05492	5.1
81.07053	1.5
82.04218	0.2
83.04981	0.2
90.62176	0.2
91.05458	0.8
92.02621	0.3
93.07035	0.3
94.04185	3.7
95.04974	2.1
96.79225	0.2
98.22655	0.4
105.03369	0.3
105.04512	0.8
105.06986	0.5
107.01273	0.3
107.04946	0.5
107.08588	0.2
109.02882	0.5
109.06514	2.5
111.00819	0.2
119.08498	0.2
119.96341	0.2
121.02847	0.9
121.06528	0.6
122.02833	0.3
122.03648	3.6
126.03132	0.9
135.04443	0.3
137.05943	1.1
139.07573	0.4
149.05954	0.3
151.07532	0.8
152.04695	0.3
155.07019	3.3
161.13275	0.2
163.07523	0.2
165.05466	100.0
166.05801	3.9
167.07036	2.9
174.10440	0.4
175.07574	0.3
177.09103	0.3
181.08585	3.4
186.10379	0.4
187.07555	0.4
188.36884	0.2
197.09430	0.2
202.09833	0.9
205.12212	1.1
217.12242	2.3
218.09372	0.4
219.10004	0.4
225.62105	0.2
233.11659	1.7
371.18256	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.2
53.03950	2.1
55.01870	0.4
55.05498	0.3
60.51575	0.2
65.03936	0.6
66.04714	1.3
67.05511	0.6
68.99789	0.3
69.03410	0.6
71.49984	0.2
74.77534	0.2
77.03921	0.5
79.01828	0.3
79.05070	0.2
79.05495	4.2
81.03410	0.3
81.07047	1.9
83.04990	0.4
85.02899	0.3
85.06521	0.2
91.05457	1.1
92.02631	0.5
93.07035	0.8
94.04174	2.4
94.80204	0.2
95.04979	1.4
95.08595	0.5
105.03384	0.7
105.04492	0.6
105.07034	0.7
107.04942	0.6
107.08579	0.5
108.05727	0.3
109.02877	0.6
109.06521	2.5
109.10114	0.5
111.00826	0.3
119.08573	0.8
121.02829	0.6
121.06589	0.5
121.10132	0.4
122.03646	3.3
126.03115	0.8
129.06947	0.3
131.08586	0.3
133.10123	0.4
136.05148	0.4
137.05998	1.0
139.07521	0.4
141.05444	0.3
143.08554	0.6
144.08086	0.3
145.06439	0.2
145.10147	0.4
147.11714	0.7
150.06804	0.3
151.03847	0.4
151.07541	5.6
155.07036	4.1
156.07416	0.2
158.07152	0.2
159.08055	0.3
159.11609	0.4
161.02162	0.2
161.05936	0.3
162.69148	0.2
163.07513	0.6
165.05467	100.0
166.05789	3.6
166.49200	0.3
167.07030	0.5
167.08412	0.2
171.11726	0.5
172.08777	0.3
173.06035	0.4
173.09552	0.3
173.13260	0.8
174.06650	0.2
174.10410	0.6
177.05511	0.2
177.09201	0.3
181.10129	0.3
183.11595	0.3
188.08327	1.2
190.10030	0.3
191.10693	0.4
193.08725	0.2
203.07001	0.3
203.10632	1.9
205.12233	2.5
207.11760	0.3
212.27698	0.2
215.10681	1.0
218.09424	0.6
219.10069	0.2
233.11655	2.1
271.09500	0.2
271.34573	0.2
277.08395	0.2
281.19330	0.2
283.09634	0.3
295.20493	0.6
298.12210	0.3
299.09210	0.4
307.13229	0.4
311.12866	0.7
322.15546	0.3
325.10260	0.2
325.14157	0.3
339.12210	0.7
343.15375	0.4
353.17398	1.1
371.14526	1.0
371.18484	0.7
371.22449	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
53.03947	1.8
61.24638	0.2
65.03934	0.5
66.04716	1.4
67.05498	0.3
68.99805	0.2
69.03418	0.4
70.32957	0.6
77.03917	0.7
79.01871	0.2
79.05065	0.3
79.05493	4.5
81.03414	0.2
81.07050	0.9
82.68718	0.2
91.05468	0.3
92.02629	0.3
93.07056	0.2
94.04191	3.3
95.04982	2.0
95.08576	0.2
98.03661	0.4
98.33824	0.2
105.03391	0.5
105.04515	0.7
107.04942	0.6
109.02869	0.6
109.06519	2.6
121.02862	0.7
122.03651	3.6
126.03138	0.9
137.05962	1.0
141.05434	0.3
151.07573	0.4
152.26202	0.2
154.02597	0.2
155.07028	3.9
159.08055	0.3
165.05475	100.0
166.05806	3.9
174.10391	0.2
202.09938	0.2
203.06819	0.2
205.12234	1.9
217.39215	0.2
218.09366	0.3
219.10010	0.2
233.11658	2.0
371.14572	0.4
371.18762	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.0
55.05499	5.5
57.03430	2.1
67.05515	3.7
69.03442	10.5
69.07066	7.8
71.29204	3.1
73.23188	1.6
79.05495	4.8
81.03425	4.2
81.07043	8.3
83.04984	11.3
85.02914	9.1
85.06547	4.6
91.05486	6.5
91.23358	1.5
93.07058	10.7
95.04980	4.1
95.08622	15.1
97.02905	3.8
97.06527	4.3
97.40092	1.6
99.04435	2.2
99.08092	2.0
105.07027	12.6
107.04948	3.5
107.08590	22.3
107.94080	1.7
109.06535	6.2
109.10179	7.0
111.04427	2.2
111.08096	6.0
117.07019	2.6
119.08585	6.3
121.06496	3.6
121.10164	17.3
123.08074	5.3
125.09651	4.1
127.03916	2.2
131.08582	6.9
133.10123	29.6
135.08069	6.3
135.11702	3.7
137.09631	6.1
143.08604	3.0
145.10138	3.8
147.11684	5.0
149.09624	4.3
149.13290	6.2
151.11174	16.2
153.09137	8.3
158.10886	1.6
161.13312	3.3
163.11198	4.8
163.14720	4.2
167.10747	2.5
173.13245	10.5
179.14227	1.9
191.10632	3.0
191.14310	34.8
192.14636	4.3
193.80699	1.8
209.11888	1.7
209.15338	13.0
211.75330	1.8
217.12407	1.9
227.12776	2.6
256.36340	1.6
272.94534	1.8
279.10190	1.9
279.17590	1.9
294.65723	1.8
339.12186	4.5
371.16788	100.0
372.17010	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86645	0.5
53.03937	1.1
53.61694	0.5
55.01841	0.6
55.05521	4.1
57.03438	1.1
57.07078	3.1
61.02930	0.6
63.00776	0.5
67.05495	1.6
69.03431	4.9
69.07062	4.4
71.04979	0.6
73.04761	1.2
79.05512	3.8
79.05902	0.6
79.17599	0.6
81.03417	2.2
81.07059	11.8
83.04987	3.8
83.08623	6.0
85.02911	4.6
85.06567	0.8
90.14606	0.6
91.05383	0.7
91.05850	1.2
93.07043	5.2
95.04970	1.3
95.08627	1.9
97.02916	3.1
97.06528	1.9
99.04440	0.7
105.07083	1.4
107.08590	5.0
109.02912	0.9
109.06519	6.3
109.10152	4.5
111.08103	2.6
119.08580	1.5
121.06438	0.7
121.10177	4.8
123.08044	0.8
123.11758	3.2
125.09663	1.0
125.13278	1.3
126.47945	0.6
127.03911	2.6
131.08603	0.7
133.10165	2.1
135.08066	1.7
135.11719	0.7
137.05954	0.6
139.11169	0.8
145.04932	1.0
145.10129	0.7
149.13277	6.2
151.11203	1.2
153.09126	1.7
156.46484	0.6
159.11708	0.7
163.11142	0.6
163.14865	1.3
167.14346	6.6
171.10233	1.0
173.13226	1.2
179.03407	1.4
191.10507	1.1
191.14301	3.6
203.05258	12.0
203.07030	1.0
208.86073	0.6
209.07895	0.9
209.11754	0.7
209.15355	4.5
285.01068	0.7
371.16812	100.0
372.12845	0.7
372.17120	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.9
55.05500	5.3
60.72866	2.6
67.05518	4.9
69.03425	19.9
69.07059	4.3
70.65386	3.6
70.65727	7.5
79.05494	9.7
81.03410	8.9
81.07066	21.2
83.04972	7.9
85.02902	22.9
90.22966	3.1
91.05458	17.5
93.07042	8.2
95.04961	4.8
95.08635	7.7
97.02899	6.8
99.04437	3.8
105.06998	9.8
107.04939	8.7
107.08587	11.3
109.02891	6.9
109.06514	7.6
119.04971	17.2
119.08574	8.7
121.06497	6.5
121.10130	9.0
123.04428	72.6
123.08055	9.5
123.11728	4.6
124.04709	4.3
127.03905	4.6
129.05444	3.5
131.04898	3.6
133.10179	7.3
135.08086	5.2
137.05975	11.2
137.09622	12.7
139.03915	7.7
145.10092	4.6
147.04408	49.8
149.05986	5.3
149.09613	9.2
149.13261	6.6
151.03905	90.1
151.07394	3.4
151.11172	13.0
152.04175	4.4
161.05988	8.9
163.03915	6.4
165.05493	30.1
165.12759	30.3
173.13289	3.7
175.07657	3.1
177.05405	5.6
177.09048	3.9
180.76917	3.3
185.04230	4.0
187.07417	3.0
191.14310	20.3
207.06520	5.3
209.11510	29.8
209.15382	88.9
210.15776	4.6
219.08099	2.9
219.10144	58.3
220.10686	4.3
222.59489	3.6
223.07440	4.5
234.06853	4.0
239.10683	3.8
249.09023	7.1
251.07034	6.7
252.07782	3.9
254.05904	3.7
265.08487	4.3
267.10049	4.7
268.07385	6.0
277.08606	10.2
278.09094	4.8
281.11700	3.3
283.09570	19.5
285.00986	3.4
293.08246	6.5
293.11691	4.3
295.09579	12.7
296.10129	4.2
303.08594	10.4
307.09601	5.1
309.11063	7.6
311.12643	3.8
313.10489	5.3
321.11176	12.5
327.17728	6.0
328.13031	25.6
333.66870	3.8
339.12210	18.2
341.13687	6.0
353.13870	11.8
371.16962	100.0
372.16830	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
52.05614	1.2
53.03942	1.5
53.23463	1.2
55.05504	2.7
57.03439	3.7
59.04984	1.4
61.02915	3.4
67.05492	4.2
69.03432	17.3
69.07068	2.4
70.24081	3.9
71.04973	2.4
73.02911	2.4
79.05476	5.1
81.03417	8.9
81.07065	6.0
83.04971	4.0
85.02428	2.1
85.02903	32.5
91.03951	1.5
91.05493	4.7
93.07040	6.0
94.88835	1.4
95.04953	5.3
95.08591	4.9
97.02904	9.5
97.06535	1.8
99.04436	2.7
99.08085	1.7
105.07033	6.7
107.04957	1.7
107.08586	13.0
109.02854	4.2
109.06515	16.2
109.10142	2.5
119.08546	4.3
121.06501	2.5
121.10133	13.9
123.04421	3.3
123.08081	5.2
123.11694	3.4
125.09619	1.5
127.03932	6.3
131.04994	1.2
131.08556	4.6
131.10126	1.4
133.10092	5.5
133.36211	1.5
135.08029	6.2
135.11674	2.6
137.06029	1.6
137.09621	11.1
137.13261	2.3
145.04990	6.7
145.10103	4.5
147.11662	4.2
149.09634	12.0
149.13232	4.4
151.11163	15.3
153.09079	2.5
161.06020	1.4
161.09608	1.9
161.13304	1.5
163.11203	6.6
165.12752	46.6
166.13037	2.0
167.07037	3.6
173.13255	4.7
175.07558	2.3
181.12218	1.4
191.10608	2.7
191.14316	20.3
203.05350	1.6
209.15356	100.0
210.15710	7.5
217.08661	1.8
231.56577	1.2
247.15338	1.3
249.09126	1.3
259.16620	1.2
293.08151	1.3
309.11383	1.5
339.12054	2.5
371.10983	1.5
371.16327	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.3
55.05513	3.6
57.03439	3.6
61.02922	3.9
67.05504	4.1
69.03427	8.7
69.07073	2.3
71.04987	4.5
71.29704	1.3
71.30080	1.5
73.02908	1.6
79.05502	2.4
81.03429	4.0
81.07050	4.0
83.04987	5.0
83.08630	3.6
85.02910	23.8
85.06550	2.5
91.05485	2.9
93.07043	4.6
95.04971	95.8
95.08590	6.7
96.05316	2.4
96.93133	1.4
97.02881	7.0
97.06564	2.9
99.04453	23.3
103.05405	1.4
105.07045	4.2
107.08598	6.7
109.02908	2.1
109.06536	2.6
109.10182	4.5
117.07030	1.4
119.08661	1.8
121.06502	2.3
121.10124	6.0
123.08076	1.8
123.50680	1.4
125.09592	1.5
127.03960	5.4
131.08585	2.4
133.06494	2.9
133.10121	14.9
135.08080	2.5
137.09660	2.4
145.04985	5.2
147.11804	1.4
149.09619	37.4
149.13376	1.6
150.10034	2.8
151.11186	10.4
153.09116	32.2
154.09431	1.6
163.14851	2.6
165.12782	2.6
167.14359	2.9
173.13368	6.9
177.05534	1.8
181.12254	2.3
191.14351	9.5
193.08694	2.0
209.13390	2.2
209.15372	41.4
210.15819	2.3
283.11438	1.8
339.12405	2.5
371.16833	100.0
372.17197	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79350	2.4
53.03969	2.6
55.01871	4.8
55.05501	6.3
57.07079	6.3
60.48908	3.5
61.02924	5.1
67.05502	7.5
69.03432	68.7
69.07063	8.9
71.04983	4.3
71.29048	3.2
75.33878	3.3
79.05502	7.7
81.03424	5.9
81.07050	19.9
83.04981	6.6
85.02904	30.4
85.06547	4.4
91.05478	11.8
93.07036	11.4
95.04976	7.7
95.08577	16.3
97.02874	6.0
97.06540	5.2
103.35599	2.7
105.07044	9.6
107.04948	5.3
107.08587	25.0
109.02862	4.4
109.06520	33.6
109.10148	6.5
109.25566	2.4
111.08151	3.0
119.04944	7.4
119.08593	10.3
121.06475	5.5
121.10137	21.8
123.04433	27.6
123.08073	8.3
123.11704	10.9
123.31947	3.1
125.09633	21.1
127.03945	4.6
131.08575	8.5
133.10120	13.5
135.04398	2.8
135.08057	15.2
135.11705	7.3
137.05954	3.8
137.09595	8.9
139.03992	3.6
143.08556	2.9
145.04953	4.5
145.10114	6.8
147.04393	19.8
147.11708	5.7
149.09598	17.0
149.13260	6.7
151.03889	28.9
151.11221	7.7
153.09125	10.0
158.10902	4.2
161.05981	3.3
163.11212	5.8
163.14812	6.1
165.05450	9.2
165.12700	21.7
167.07124	3.9
173.13266	22.5
191.14310	92.7
192.04839	3.2
192.14691	7.8
202.09486	2.8
209.15364	100.0
210.05849	4.9
210.15672	5.4
219.10135	23.5
224.08286	2.7
235.07384	3.0
239.07184	4.9
240.07741	2.8
249.09016	3.5
251.06909	3.5
261.08984	3.9
265.08524	4.4
267.10236	4.2
269.07889	3.6
277.08768	3.7
280.07242	3.1
283.09659	14.2
293.08295	4.2
293.11542	5.4
295.09586	8.8
303.08636	5.2
309.11090	5.3
313.10727	6.3
321.11224	6.4
328.12976	32.7
329.13589	4.0
339.12421	8.9
340.12674	3.5
353.13651	7.9
371.16669	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.0
66.04710	1.0
69.39922	0.8
79.05470	1.8
81.07047	2.4
85.14175	0.8
87.04468	1.0
91.05422	8.3
93.07019	2.6
94.04181	2.8
94.46182	0.8
95.04974	1.0
95.08570	0.8
98.22641	2.1
101.09092	0.7
105.07031	6.7
107.04948	3.5
109.06473	2.3
115.05437	1.5
117.07007	4.9
119.08566	4.0
121.06516	2.1
122.03626	6.5
123.04416	0.8
131.08528	1.3
133.06483	14.7
133.10069	0.9
135.04466	1.0
137.05977	100.0
138.06287	2.3
142.07755	1.2
145.06491	18.8
145.10112	1.7
147.07999	3.5
147.11638	2.5
149.05959	1.6
149.09602	1.4
151.07538	5.5
155.08617	0.9
157.10086	2.2
159.08037	1.3
163.07539	1.5
165.09128	1.6
173.09578	2.1
175.11180	18.2
176.11472	0.9
177.09103	16.0
178.09416	0.8
179.10646	7.7
191.10597	1.2
197.13257	1.0
205.12186	2.8
207.13808	10.1
215.14334	5.7
247.16959	1.6
343.10831	1.2
344.11508	1.6
355.10379	1.2
356.11108	2.3
357.11969	1.2
369.11487	2.7
370.12363	9.2
371.12997	54.3
371.21997	11.7
372.13730	26.5
372.21680	1.2
372.32904	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
68.33446	8.4
69.18388	17.6
69.18787	55.8
93.78970	8.0
98.22588	14.4
107.04955	12.4
127.44710	8.1
135.04424	21.9
137.05986	11.5
140.68814	7.4
140.84236	10.1
163.03877	100.0
211.05740	83.1
340.65936	9.2
373.10855	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18994	1.0
57.07071	2.1
67.99192	0.9
69.07069	1.8
69.40546	2.2
69.40950	4.5
70.06567	1.7
83.08633	1.5
87.04475	5.2
88.07636	4.9
98.22548	1.0
106.08669	4.2
109.06530	1.1
111.70113	1.0
123.39704	0.9
128.06226	1.1
129.06987	1.5
130.02538	1.0
141.06955	1.5
142.07698	1.2
142.38086	1.0
145.06516	1.5
147.23595	1.0
157.06488	2.7
165.05507	2.5
165.06960	1.8
166.06227	2.1
167.04932	1.0
168.05856	1.2
169.06529	2.2
175.07565	2.3
181.06538	2.1
183.04439	1.2
183.08078	1.6
185.05980	2.3
189.09039	1.8
191.07092	2.3
197.05994	4.3
199.07529	2.6
205.08681	2.2
207.10211	4.0
209.05894	1.4
211.07561	6.3
212.04686	2.4
213.05420	3.8
213.09042	1.8
213.92393	1.2
214.06160	2.8
215.07076	2.8
219.10194	2.3
220.10915	1.6
221.09660	1.2
223.59807	1.1
225.05443	4.4
225.09169	1.6
226.06085	2.3
227.07103	7.4
228.04155	1.4
228.07520	1.3
229.04869	1.9
230.05659	1.6
231.06384	1.4
238.06491	1.1
239.07018	3.5
239.10541	1.2
240.04294	1.5
241.05006	3.6
241.08614	2.8
242.05724	2.0
243.06589	5.7
244.07243	3.0
245.08209	1.3
249.08952	1.3
251.06918	1.7
251.10902	1.1
253.05048	2.0
253.08859	1.4
254.05708	2.2
255.06554	6.9
256.07257	2.7
257.04300	2.0
257.08112	2.9
259.05798	1.3
267.06577	3.5
267.09961	2.2
269.08078	4.3
270.05325	2.6
271.06036	9.2
271.09219	1.9
272.06790	4.3
273.07599	3.7
281.08051	1.2
281.11697	1.2
283.06003	7.3
283.09201	2.0
283.12936	1.2
283.26382	4.3
284.06625	2.4
285.04315	1.8
285.07550	7.5
285.10809	1.9
286.04758	1.7
287.05710	1.4
287.09143	5.1
295.09573	2.2
296.10001	1.5
297.07700	3.2
299.05405	1.3
299.09109	1.6
299.12729	1.6
300.06189	10.8
300.09537	2.0
301.07037	7.7
302.07605	2.4
304.09421	2.4
310.11771	1.6
311.09091	1.8
311.12607	2.3
312.09711	2.0
315.08618	43.1
316.09344	8.0
317.10147	4.5
325.10681	2.3
326.11197	2.1
327.12296	2.9
328.09119	1.7
329.10144	2.1
340.12909	2.5
341.13425	6.1
342.14288	5.0
343.11523	1.4
357.13226	6.7
372.15668	100.0
372.30829	2.4
372.34821	4.5
372.38464	2.7
373.16241	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01879	0.8
57.03447	1.7
61.02931	2.8
62.06079	0.5
68.95941	0.4
69.03433	5.9
71.04991	1.2
71.30130	0.4
72.04518	1.2
73.02915	1.4
73.03300	0.3
73.04755	0.7
74.06056	0.3
79.01254	0.3
79.05503	0.5
79.55207	0.3
81.03419	3.0
83.04955	0.3
84.08155	0.5
85.02908	15.3
86.03213	0.4
86.09711	0.8
87.04465	1.7
91.03964	0.5
91.05500	1.8
95.04977	0.4
97.02896	5.9
99.04459	0.9
103.05486	3.0
105.07024	5.6
107.04974	1.8
107.88428	0.4
108.08124	0.5
109.02872	1.5
111.04452	0.4
117.05769	0.6
117.07011	1.8
118.05025	0.5
118.06557	2.1
119.01977	0.3
119.07336	2.7
120.08113	5.3
127.03937	3.2
128.06212	0.5
129.05504	0.4
129.07024	3.4
130.06512	0.4
131.04958	1.9
131.07338	0.6
134.05908	0.4
136.06175	0.6
144.08139	0.8
145.04959	2.4
146.09654	6.5
147.06548	0.6
148.07574	0.4
149.05969	0.4
152.07069	0.8
163.03899	0.6
164.10719	100.0
165.11078	4.0
172.92393	0.3
174.09142	0.5
179.03407	0.4
185.02937	0.8
186.03137	1.6
187.02734	1.1
188.10854	0.5
192.10240	1.7
199.08070	0.4
210.11263	91.6
211.05788	0.6
211.11617	4.5
217.83224	0.3
222.44745	0.4
229.03906	0.4
234.11200	0.7
271.15546	0.3
281.39529	0.4
286.93100	0.3
292.50885	0.4
312.06415	1.2
313.06113	0.6
318.46887	0.4
372.12326	0.6
372.16656	5.0
373.07138	0.5
373.10910	0.8
373.14807	1.5
373.18884	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.1
57.03429	11.6
61.02911	7.5
66.29601	2.3
66.50726	2.4
69.03425	22.8
69.45607	3.1
69.45879	14.3
70.06619	3.0
71.04981	2.6
73.02911	12.3
80.41131	2.3
81.03431	5.0
85.02904	100.0
86.19054	2.3
87.04441	2.6
91.03965	4.1
91.05808	3.0
97.02882	32.4
98.23349	4.0
99.04449	3.7
103.03926	5.3
107.90645	2.7
109.02884	6.6
112.65643	2.4
115.03924	11.2
127.03889	20.1
133.04948	15.7
134.60141	2.4
138.11136	2.3
145.04945	47.5
163.03909	3.2
163.06017	28.7
164.10738	10.6
185.02980	9.1
186.03128	21.8
187.02791	6.1
193.26308	2.6
199.06104	2.9
204.04219	4.5
210.03146	3.5
210.11232	11.4
211.05911	3.4
228.04240	3.7
246.06360	3.4
264.04236	3.9
312.06277	18.8
313.05771	7.0
372.11557	3.6
372.16650	6.0
373.14844	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80459	0.6
55.05509	4.5
57.06833	0.8
57.07084	8.5
60.04532	14.6
63.37428	0.7
67.05510	3.3
69.07070	8.3
69.20374	5.6
70.06600	1.4
71.08636	5.3
75.00053	0.9
78.01124	3.0
79.05482	1.4
81.07063	9.0
83.08623	4.9
84.08147	1.1
85.10178	1.4
87.04463	4.1
89.01585	1.0
90.95986	0.7
95.08612	6.2
97.10176	3.0
106.04240	0.8
109.10152	2.6
111.64497	0.6
115.25720	0.6
123.11688	1.3
135.33888	0.6
164.12666	0.7
178.55028	0.6
182.83356	0.6
227.59674	0.7
268.30014	5.9
294.31677	1.3
330.29242	13.5
331.29736	1.2
345.32721	0.6
372.30292	100.0
373.30685	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	1.0
69.03420	1.2
69.70172	2.0
73.04743	0.9
81.03412	0.7
84.08153	1.2
85.02906	4.5
86.09727	1.0
89.03895	1.2
91.05807	1.1
97.02876	1.7
99.10409	0.7
105.07079	0.5
107.04939	1.0
109.02901	0.7
111.04414	0.7
111.21010	0.5
114.53182	0.5
117.03378	1.7
119.04907	0.8
122.03632	1.7
127.03864	1.0
136.07526	0.6
137.05971	18.1
145.02850	5.1
147.04355	1.3
149.05962	0.6
163.03981	1.0
164.04285	0.7
171.02029	1.5
177.05467	9.2
180.08765	0.7
195.06540	5.0
211.05765	100.0
212.06122	3.6
212.09259	0.8
287.00562	1.1
373.10843	16.6
373.14676	9.5
373.18390	15.7
374.11136	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.4
57.07085	1.4
67.05492	1.7
69.07090	0.9
69.16380	1.0
70.06593	2.8
71.08623	0.8
78.65426	0.9
79.05455	1.1
81.07052	1.3
88.07625	3.8
91.05477	1.4
93.07068	1.4
95.08592	2.2
97.06537	1.1
98.22554	2.0
102.09200	2.4
105.07040	3.2
107.08605	1.1
109.10132	1.8
119.08587	2.8
119.29077	1.1
121.06532	1.8
121.10140	1.3
123.08082	1.6
129.06979	1.2
133.10164	1.6
143.08505	1.6
145.10249	1.4
147.08017	1.2
147.11723	1.1
152.06209	1.2
153.05486	1.9
153.06981	2.3
157.10147	1.5
159.04480	0.8
159.08076	1.1
159.11661	1.0
161.09622	2.6
163.11171	1.3
165.06990	5.1
166.07799	2.0
167.07086	4.6
167.08563	2.5
168.05672	2.8
169.06508	2.5
169.10126	2.3
171.11723	1.2
177.06984	2.4
178.07845	1.7
179.08612	2.8
180.05795	1.1
181.06467	8.6
181.08635	1.1
181.10106	2.3
182.07338	1.2
183.08098	4.4
185.05960	1.1
185.09705	1.8
187.11325	1.0
189.06909	1.2
191.08594	1.3
192.09251	1.6
193.06442	2.0
193.10144	2.3
194.07263	5.2
195.08096	4.3
195.11710	3.8
196.05231	4.0
197.05919	4.7
197.09665	2.3
198.06779	8.3
199.07372	1.0
203.08553	1.3
205.06491	4.6
205.10130	1.7
206.07185	1.8
207.04434	2.5
207.08122	1.9
207.11716	4.4
208.05092	1.2
209.05989	6.5
209.09641	4.2
209.13179	1.7
210.06750	1.8
211.07532	18.0
211.11179	1.5
212.08319	5.9
213.05508	1.7
213.09154	2.4
216.09595	1.2
217.10110	1.6
218.10880	1.7
219.08055	2.2
219.11783	2.6
220.05115	0.8
220.12460	1.1
221.05969	2.6
221.13277	1.5
222.06767	9.9
223.07480	4.8
223.11188	2.2
224.04671	4.8
225.05443	7.7
225.09180	0.9
226.06255	7.0
227.06984	4.3
228.04073	1.0
228.07652	1.3
229.05038	1.4
231.11700	2.1
233.05981	2.5
233.13264	4.8
234.06779	2.8
235.07504	4.7
235.11121	1.1
235.14905	3.4
237.05444	13.7
237.09073	6.5
238.06059	4.9
239.07016	17.2
240.07614	4.7
241.04900	1.7
241.08574	8.0
243.06529	3.4
244.07338	1.6
247.07765	1.4
247.11179	1.3
247.14758	1.9
249.05527	2.2
249.12811	4.6
250.06252	9.3
251.03392	1.2
251.06995	4.8
251.14336	3.0
252.04027	2.0
252.07806	2.3
253.05017	5.6
253.08672	2.0
254.05710	4.7
255.06512	8.1
257.08099	3.3
259.14755	3.1
263.07040	3.6
264.07831	1.1
265.04950	3.8
265.08627	17.6
266.05676	2.5
266.08792	1.0
267.06519	17.2
268.07227	5.1
269.04883	1.5
269.08072	14.7
270.05151	1.3
270.08600	2.5
271.06030	3.4
271.09320	1.4
271.14822	1.9
274.17212	1.4
275.14362	1.0
277.05054	2.4
277.15887	4.0
278.05725	2.2
279.06543	3.5
280.07236	4.8
281.04431	3.1
281.08066	4.6
282.05264	2.6
282.08636	1.5
283.06088	5.8
283.09665	3.9
284.06793	3.4
285.07629	5.7
289.15662	1.3
291.06366	2.2
293.04794	2.0
293.08041	17.2
294.08664	1.8
295.06036	4.3
295.09650	5.6
296.06665	4.5
297.07578	12.5
298.05020	1.2
298.08276	4.3
299.05807	1.3
299.09085	4.1
300.06201	1.3
301.07111	2.0
308.06827	2.2
309.07571	3.2
310.08267	2.9
311.09106	100.0
312.06235	2.0
312.09378	8.2
312.32632	7.5
313.07028	4.9
313.10458	1.8
314.07666	1.3
315.08618	4.0
315.12097	1.8
323.09058	8.3
324.09631	1.7
325.07178	8.3
325.10797	1.7
326.07712	1.6
327.08569	2.2
328.09152	5.1
329.10135	4.0
331.20557	1.6
341.10132	22.2
341.14011	1.3
342.10687	3.2
343.08032	11.8
343.11801	13.9
344.12277	1.6
345.22214	1.5
355.11752	20.5
355.20660	2.9
356.12054	1.8
358.10480	69.2
359.06955	1.1
359.10944	6.7
373.12747	3.8
373.16931	2.2
373.21567	18.1
373.25327	3.4
373.28998	1.2
374.21954	2.4
374.36258	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42719	1.5
55.01847	2.2
69.03436	3.1
71.38702	1.8
76.75175	1.4
84.60780	1.6
98.22649	4.3
109.10159	2.2
112.83421	1.8
115.21878	1.5
141.06992	2.2
152.06235	2.1
153.07004	6.3
155.08606	2.2
165.06989	11.0
166.07785	2.5
167.08586	3.9
168.05673	9.5
169.06505	6.1
179.08548	1.8
181.06464	12.9
182.07333	2.3
183.08080	10.4
184.05165	4.0
193.06577	7.1
194.07251	5.2
195.08076	8.2
196.05219	10.9
197.05994	17.8
198.06700	9.5
199.07565	8.6
200.04788	2.4
205.06456	3.1
206.07272	1.7
207.04433	4.4
207.08052	1.8
209.05933	9.7
209.09668	2.7
210.06731	7.0
211.04227	2.1
211.07526	40.2
212.04721	4.7
212.08218	10.8
213.05426	7.0
213.09198	2.9
214.06155	3.8
216.07790	1.6
219.08029	3.3
221.06010	3.9
222.06758	11.9
223.03772	2.7
223.07513	8.7
224.04649	9.7
224.08224	2.5
225.05516	15.0
225.09106	6.3
226.06271	12.6
227.07005	15.1
227.10603	5.7
228.07794	6.5
229.08537	2.9
235.07515	4.4
236.04710	2.7
236.08206	3.0
237.05453	8.4
237.09129	10.1
238.06184	10.1
239.07014	33.7
240.04228	6.9
240.07693	11.1
241.04877	7.3
241.08519	11.3
242.05727	7.2
242.09077	2.0
243.06592	9.7
250.06235	12.3
251.03508	3.1
251.06975	8.1
252.04280	3.6
252.07713	3.5
253.04945	12.3
253.08475	9.0
254.05707	11.8
254.09099	2.5
255.06531	16.5
255.10071	10.6
256.07193	7.9
256.10660	3.4
257.04538	2.3
257.08081	7.1
259.09805	1.8
263.07123	2.4
265.04764	2.3
265.05872	2.1
265.08606	16.8
266.05826	3.8
266.08728	1.8
267.06503	38.2
268.04633	2.1
268.07260	14.4
269.04489	6.2
269.08047	24.2
270.05530	8.7
270.08444	8.5
271.06024	20.2
271.09579	5.4
272.06674	2.6
277.04605	1.7
278.05759	4.8
279.06436	6.0
280.07239	6.9
281.04675	3.4
281.08051	9.1
282.08823	5.1
283.06046	11.3
283.09683	14.6
284.06699	6.9
284.10114	1.7
285.07568	39.0
285.10715	2.4
286.04965	3.9
286.08228	21.8
287.05399	2.0
287.09122	8.7
287.12265	1.9
293.07996	10.3
295.06018	3.8
295.09427	3.0
296.06729	5.1
297.07550	35.1
297.10721	1.8
298.08173	13.6
299.05615	5.3
299.09158	21.8
300.06366	2.1
300.09711	4.1
301.07013	9.1
301.10233	3.0
302.07489	7.9
310.08514	2.9
310.12057	1.9
311.09119	100.0
312.09500	10.0
313.07034	12.3
313.10709	16.3
314.07803	15.3
314.11435	11.1
315.08469	5.1
315.12277	8.3
317.10217	18.8
318.10739	2.6
323.09192	3.0
325.07175	2.0
327.08649	5.4
328.09299	7.4
329.06586	3.7
329.10120	20.7
330.10696	6.3
331.11359	5.9
341.10269	17.5
341.13953	3.8
342.10757	4.1
342.14426	2.0
343.08054	15.8
343.11816	19.1
344.12164	2.9
345.13193	9.5
355.11697	7.8
356.12646	2.3
358.06006	3.6
358.10452	65.4
358.13986	2.5
359.10849	6.1
373.12216	20.0
373.16904	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04234	1.6
57.41447	1.5
59.68763	1.7
79.05492	3.7
81.07033	2.6
91.05453	1.8
93.06994	3.2
95.04945	2.6
95.08620	2.2
105.07028	4.9
109.06537	2.0
119.08575	3.6
129.06966	3.3
131.08566	2.2
137.06024	1.6
143.08522	2.4
145.10150	2.2
152.06276	3.9
153.06999	3.0
155.08624	2.8
157.10135	4.3
159.11644	2.3
164.96646	1.7
165.07045	6.6
166.07719	2.2
167.07104	3.6
167.08614	3.6
168.05647	2.8
169.06459	3.6
169.10158	3.1
171.11650	2.0
177.07001	2.4
178.07747	3.0
179.08562	4.2
179.34447	1.7
181.06462	6.7
181.08658	2.1
182.07190	1.8
183.08102	5.6
185.86253	1.8
189.06998	2.0
193.06519	3.4
194.07286	6.5
195.06523	5.6
195.08105	4.7
196.05130	6.0
197.06001	6.9
197.09647	3.9
197.13362	2.2
198.06769	6.0
199.07547	2.1
201.09216	2.2
205.06462	2.7
207.04350	2.0
207.08025	3.8
209.05951	6.3
209.09644	4.3
211.07524	20.6
212.08215	5.9
213.08984	2.5
219.08136	2.2
219.10155	2.3
221.05962	4.2
222.06705	8.6
223.07547	4.9
224.04761	3.7
225.05453	6.6
225.09077	5.6
226.06213	5.7
226.09865	3.2
227.07024	4.5
233.05978	2.4
234.06665	2.5
235.07553	4.3
236.08357	2.1
237.05458	12.4
237.09114	8.0
238.06181	3.7
238.09889	2.3
239.07018	19.1
239.10692	2.9
240.07727	4.6
241.08452	8.5
243.06468	2.5
249.05525	2.9
250.06221	8.6
251.07083	5.1
252.07901	2.9
253.04984	7.6
253.08635	5.4
254.05760	6.8
254.09299	2.2
255.06332	9.8
255.10271	3.0
257.08057	5.7
263.07007	5.0
264.07803	2.8
265.05472	3.8
265.08618	20.1
266.09290	2.7
267.06570	16.6
267.09515	3.2
268.07175	6.1
269.08087	12.4
269.11499	2.1
270.08685	2.4
271.06070	4.1
271.09583	1.9
278.05539	2.9
279.06454	2.5
280.07077	3.1
281.04678	1.9
281.08051	7.9
282.05374	1.9
282.08829	3.8
283.06073	6.6
283.09229	3.5
284.06787	4.9
285.07617	8.6
293.08044	17.6
294.08514	2.7
295.06155	4.7
295.09705	9.9
296.06729	5.6
296.10236	3.8
297.07584	13.5
297.10962	2.7
298.08344	6.3
299.09134	5.4
310.08203	4.1
311.09125	100.0
312.09448	8.1
313.06958	7.0
313.10678	11.9
315.08426	3.2
323.09177	8.8
325.07150	9.8
327.08667	2.6
328.09283	5.2
329.10278	3.1
341.10184	42.3
341.14090	3.2
342.10596	3.2
343.08484	13.1
343.11520	14.3
353.34952	2.2
355.11780	18.7
358.10483	68.1
359.10925	6.0
373.12732	7.1
373.25232	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
53.03945	4.2
55.01844	1.6
57.03426	0.5
59.05003	0.5
65.03915	1.6
66.04704	0.5
67.00118	0.4
67.05459	1.4
69.03414	0.6
71.04980	0.7
72.92091	0.4
73.06528	1.6
75.04488	2.9
78.04708	2.9
79.05495	15.9
81.03410	4.2
81.07064	5.0
83.04971	1.1
85.02882	1.8
85.06529	0.5
91.05045	0.4
91.05483	4.6
93.03384	0.7
93.07011	2.1
94.04144	0.8
94.31714	0.4
95.04971	4.2
95.08616	0.5
96.05772	3.2
98.23373	1.1
101.06003	1.2
103.05474	3.2
105.03387	1.8
105.04498	1.1
105.07037	6.2
106.04181	3.6
107.04313	0.4
107.04964	6.4
109.02851	1.1
109.06487	2.1
110.03635	0.5
110.07315	0.7
111.04435	0.8
111.08114	3.5
114.93550	0.4
115.05438	1.7
117.07011	0.9
119.04935	0.6
119.08527	0.8
121.06516	4.4
121.92222	0.5
122.03658	0.6
123.04414	2.7
124.05216	5.7
128.06215	0.9
129.06902	0.7
131.04944	0.7
131.08578	0.8
133.06487	4.0
134.03636	4.6
135.04381	1.2
137.02327	3.6
137.05968	0.9
138.02963	0.5
139.03859	1.7
139.07521	7.7
141.06973	1.1
143.04874	0.5
145.06406	0.8
147.04362	1.4
147.08093	0.8
148.05232	0.5
148.08249	0.5
149.05984	4.4
151.03899	5.2
151.07527	1.6
152.04692	15.1
152.06093	1.3
153.05501	0.5
155.08508	0.6
156.04164	1.4
159.08055	0.5
161.05989	2.1
165.05536	0.6
165.06911	1.0
166.07718	0.7
167.03404	1.9
167.07048	25.2
167.08446	1.1
168.07329	0.9
169.06447	1.0
171.06531	4.4
173.05974	0.7
175.03946	2.8
176.04680	0.7
178.06284	0.6
178.07692	0.7
179.03387	1.5
179.07053	5.4
179.08510	1.0
180.04195	9.4
181.06516	0.9
181.08655	0.6
182.07224	0.5
183.04379	0.8
183.08017	1.1
184.73785	0.6
185.05968	1.6
185.08035	0.7
187.07588	0.6
189.05487	0.5
191.07024	2.9
194.07253	0.6
195.06529	100.0
195.07878	3.9
196.05205	0.9
196.06844	4.4
196.08487	0.8
197.05969	0.8
197.09613	0.7
198.06622	0.5
199.07474	0.9
199.11214	0.5
201.05501	0.7
201.09164	0.8
203.07063	1.5
209.05945	0.9
210.06708	0.7
211.07475	2.1
212.04672	0.9
212.08290	0.8
213.05400	1.8
213.09071	0.8
214.06290	0.9
215.07028	1.1
216.07742	0.6
217.08533	0.9
219.06519	19.2
220.07019	0.6
220.13423	0.5
221.05904	0.7
221.11662	0.8
223.07541	2.6
224.08183	0.7
225.05489	1.6
225.09067	0.9
226.06125	1.1
226.09761	0.7
227.03285	0.8
227.07080	1.7
227.10663	1.6
228.80557	0.6
229.05019	0.8
229.08543	1.2
230.05772	1.0
231.06517	5.4
234.08873	0.5
235.07631	0.5
237.05476	0.9
237.09192	1.2
238.06244	1.3
239.03484	0.9
239.06979	1.7
239.10658	0.7
240.04303	0.6
240.07629	0.9
241.04938	3.1
241.08635	0.6
242.05653	0.9
243.06569	1.1
244.07054	0.6
245.08167	0.8
246.08885	8.8
247.09528	1.1
251.07025	1.8
252.04179	1.0
252.07747	1.2
253.04982	1.0
253.08611	4.4
253.12219	1.0
254.09210	0.6
255.06572	1.7
255.10144	2.1
256.07248	0.6
256.10843	0.8
257.04727	0.5
257.08069	1.6
259.13275	1.7
261.11221	7.2
265.04953	0.9
265.08597	0.8
266.05774	0.6
267.06509	2.0
267.10199	1.2
269.04633	1.3
269.07965	0.9
270.08981	0.8
271.06339	0.6
271.09674	1.1
279.06540	1.1
280.07385	1.2
281.08063	5.2
282.08963	0.7
283.06140	1.0
283.09613	1.8
284.06757	1.7
285.07761	0.8
285.11288	1.5
287.05490	0.7
287.09213	1.3
287.12808	2.5
295.09665	1.7
295.13086	0.8
296.10260	0.6
297.07529	0.8
297.11124	0.7
298.08179	1.1
299.12695	0.7
302.07901	0.9
309.07739	0.7
311.05615	0.5
311.09189	1.8
312.09717	0.8
313.10709	6.7
313.14371	1.8
315.12244	2.1
323.12918	0.8
325.10556	0.6
326.07831	0.8
341.10065	1.4
341.13971	1.3
345.13232	3.5
345.17072	6.1
355.11847	0.7
355.15811	0.7
373.12964	0.9
373.16550	19.0
373.21475	1.8
374.16962	1.8
397.23544	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
55.23280	1.7
61.09888	1.5
69.03423	4.3
69.07097	16.0
79.05517	2.3
98.23345	3.0
138.04968	1.5
138.90445	1.4
152.06221	3.8
153.07002	5.3
155.08530	2.8
165.06998	9.0
166.07704	2.6
167.07144	1.9
167.08577	4.0
168.05728	7.5
169.06532	6.4
178.07932	2.8
179.08546	1.5
181.06490	9.2
182.07193	5.1
183.08023	12.6
183.44461	1.6
184.05135	2.8
185.05968	2.3
188.49219	1.5
193.06503	8.5
194.07272	8.7
195.08005	8.0
196.05196	8.9
197.05995	11.8
197.09625	3.3
198.06700	6.8
199.07553	8.8
201.05409	1.7
204.05898	1.7
205.06448	2.5
206.07285	2.5
207.04517	4.4
207.08000	2.5
208.05219	2.9
208.08806	1.7
209.05972	8.6
209.09625	4.4
210.06779	7.7
211.04008	2.6
211.07539	37.6
212.04645	4.8
212.08250	7.2
213.05438	6.7
213.09106	2.6
215.07011	3.1
217.10039	1.6
219.08002	3.6
221.05988	5.7
222.06752	10.2
223.03952	1.6
223.07469	10.1
224.04692	7.0
224.08327	2.7
225.05504	13.6
225.09085	6.6
226.06210	14.1
227.06970	12.5
227.10698	5.5
228.07701	3.7
229.04968	2.7
229.08623	3.0
233.11644	3.5
234.06734	3.6
235.07452	3.7
237.05446	8.2
237.09161	7.1
238.06203	8.1
238.09846	1.9
239.07043	30.6
240.04231	5.1
240.07742	11.3
241.04782	7.4
241.08553	10.5
242.05774	6.3
243.06502	7.5
243.10139	2.2
250.06197	11.9
251.07014	5.9
252.04247	4.0
252.07536	3.5
253.04944	12.7
253.08589	9.0
254.05777	11.4
254.09290	3.0
255.06487	14.4
255.10152	9.2
256.07336	4.1
257.08060	8.0
263.07123	3.1
265.04971	2.6
265.08615	18.4
266.05875	3.4
266.09103	3.3
267.06528	41.1
268.07224	11.2
269.04608	4.0
269.08084	19.6
270.05209	6.9
270.08505	7.5
271.06049	17.5
271.09485	5.3
272.06793	1.9
273.07492	4.8
279.06638	5.3
280.07245	6.9
281.04846	2.9
281.08078	11.4
282.05392	2.6
282.08890	4.6
283.06042	9.8
283.09680	13.8
284.06635	6.2
284.10004	2.8
285.07571	31.4
285.11133	7.4
286.08298	21.2
287.05243	2.3
287.09067	8.0
288.09854	4.5
293.08121	9.8
295.06049	3.3
295.09509	2.0
296.06927	3.8
297.04199	2.8
297.07568	37.7
297.10675	1.7
298.04672	3.2
298.07938	12.1
299.05478	8.5
299.09103	17.6
300.06186	3.1
300.09464	2.9
301.07059	11.2
301.10507	3.0
302.07416	5.0
311.09106	100.0
312.09515	11.1
313.07056	10.8
313.10751	17.1
314.07822	17.8
314.11426	8.2
315.08466	5.9
315.12198	6.7
317.10190	20.0
323.09186	3.9
325.07043	3.2
327.08600	3.2
328.09427	8.1
329.10178	19.3
330.10852	8.4
331.11337	6.3
341.10107	24.5
341.13617	2.5
343.08038	14.7
343.11801	18.9
344.08435	2.1
344.12189	2.7
345.13309	11.9
355.11691	11.6
358.10464	69.5
359.10840	3.9
373.12454	22.1
373.21295	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1281
Annotation	8-Hydroxypluviatolide
Peak:m/z	Relative Intensity
61.60080	1.3
61.67292	1.5
61.75894	1.3
64.01141	1.4
64.14465	1.5
65.03931	2.2
67.05497	2.6
79.05496	6.7
81.07031	2.3
89.03913	2.5
91.05479	6.4
93.03446	1.8
94.04190	2.6
95.04961	3.2
98.22598	3.0
103.05479	13.0
105.03372	1.6
105.07016	2.5
107.04917	12.5
108.02045	2.7
109.06510	1.9
109.16981	1.4
115.05466	9.5
117.03388	5.4
118.22666	1.7
119.04943	5.3
121.06477	2.7
122.03655	6.1
125.06030	1.7
131.04927	19.0
132.05716	2.9
133.02834	1.9
133.06471	1.9
135.04388	5.7
137.05977	100.0
138.06311	4.5
143.04924	8.3
145.02832	23.3
145.06516	4.5
146.03539	1.8
147.04424	4.5
147.08051	1.9
148.05190	3.0
149.05975	34.0
150.06671	3.3
151.03920	37.1
151.05034	3.8
151.07553	4.9
152.04083	1.8
153.05414	3.7
157.06506	2.6
158.51978	1.7
159.04416	5.1
160.05180	13.2
161.05972	12.1
162.03149	7.0
162.06796	2.0
163.03880	5.1
163.07545	14.6
167.06992	8.6
171.04405	15.0
172.04964	1.8
173.02354	25.7
173.06003	3.6
175.03889	2.0
175.07549	25.7
176.04700	9.5
177.03975	3.3
177.05486	58.4
177.06944	3.3
177.09032	1.7
178.05911	3.6
179.07111	3.6
179.08617	2.3
187.03929	14.9
188.04628	4.3
189.05507	7.8
189.06953	1.9
190.02562	3.7
190.06227	1.6
191.07014	25.3
193.06676	2.3
193.08659	2.8
195.06473	2.9
199.03900	11.6
200.04655	2.7
201.06668	3.5
203.07025	35.6
205.04971	26.2
205.06575	5.3
206.07213	3.7
207.06412	8.0
207.08202	2.8
210.06775	2.0
211.07547	2.4
217.04994	4.3
219.06499	6.5
219.09937	1.9
221.05920	4.1
221.08121	8.8
222.06616	3.1
225.09135	3.4
228.76735	1.9
231.06575	24.2
233.05930	5.9
234.06792	9.4
235.07555	5.0
237.09145	6.2
239.07057	6.3
240.07758	2.4
241.08694	2.1
247.07745	2.0
249.05333	3.1
249.07372	3.1
249.09505	3.6
250.06197	8.2
251.06941	4.5
251.31752	1.6
253.08633	7.0
254.09099	2.2
262.06168	4.0
263.07007	5.5
264.07767	3.9
265.08557	16.8
267.06363	2.8
269.08029	2.5
270.08890	3.8
271.09436	1.8
277.08664	17.2
278.09183	2.3
280.07129	2.0
281.08035	7.2
282.08838	5.6
283.09720	2.0
285.11377	3.4
291.06500	3.2
293.08057	18.3
294.08609	3.9
295.09653	4.1
296.10440	5.9
297.11221	6.6
301.87607	1.7
305.08194	3.1
307.09579	3.9
309.11200	6.4
313.10706	5.1
325.10623	15.4
327.12299	4.0
329.13516	2.8
337.10663	6.1
341.13892	8.0
343.11826	8.9
355.11758	13.0
356.12027	1.8
373.12781	18.4
373.17206	4.5
374.15799	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
53.13713	0.6
56.61977	0.4
57.03438	4.2
61.02915	1.3
64.79490	0.4
65.03951	0.4
66.04720	0.4
69.03431	3.7
70.06592	0.8
71.20014	0.6
75.04469	0.6
79.05492	0.9
81.03415	2.1
84.08131	1.9
85.02905	13.1
86.09705	1.0
91.05438	0.5
94.04192	4.3
95.04955	0.4
97.02889	2.8
99.04446	1.6
103.03914	2.3
107.04942	0.5
109.02894	2.4
117.05495	1.2
122.03642	9.5
127.03896	4.1
129.05386	0.9
133.10118	0.6
137.05975	100.0
138.06317	3.0
145.02876	1.1
145.04980	3.0
147.04408	0.8
147.07712	0.5
151.03877	0.4
151.11166	0.8
159.06451	0.5
163.06065	0.6
163.07452	0.5
175.11165	0.7
177.05478	2.0
189.07478	0.6
193.12212	1.3
194.35986	0.5
195.06551	0.9
199.18074	0.5
201.07545	0.9
203.05225	2.3
211.05869	1.0
211.09526	1.3
211.13100	0.5
220.66534	0.4
227.08498	0.6
258.62881	0.4
373.10706	2.5
373.15146	2.6
373.18372	45.1
374.18732	2.8
396.44754	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.9
55.05504	4.4
56.90348	3.3
65.03904	3.8
67.05499	16.3
69.11693	29.5
75.11022	3.7
77.56482	3.3
79.05487	17.2
81.07055	20.4
82.39761	3.1
83.04988	8.3
85.06548	4.5
91.05477	21.9
93.07035	12.0
95.04974	38.1
95.08587	5.8
97.06524	10.5
98.31508	3.6
103.05476	4.2
105.07046	39.8
107.04997	9.6
107.08604	11.5
109.06502	18.4
115.05466	8.4
117.06989	12.8
119.04955	7.8
119.08569	14.6
121.06519	11.5
123.04449	5.2
128.06226	12.0
129.06990	12.3
131.04921	5.1
131.08559	22.5
132.22144	4.1
133.06496	11.9
133.10094	8.9
135.04404	4.0
135.08052	8.6
137.05972	19.4
141.06993	13.1
142.07747	10.0
143.08577	34.5
145.06512	17.5
145.10132	8.4
147.08003	14.1
149.06006	4.1
149.09706	3.7
151.03880	10.8
153.05388	5.1
153.06995	7.2
154.07777	4.8
155.08545	14.1
156.09308	4.2
157.06491	4.0
157.10150	11.7
159.08083	39.6
159.11646	4.3
160.08604	4.2
161.05948	7.3
161.09607	12.6
163.07516	6.0
165.06987	9.0
166.07835	7.8
167.07063	8.9
167.08551	12.7
169.10127	15.4
171.08018	15.7
173.09622	10.1
175.07538	9.9
178.07834	6.3
179.08498	7.1
181.08659	4.2
181.10121	16.7
183.08037	10.6
183.11678	12.2
185.09581	17.0
187.07547	5.8
187.11180	4.8
189.09120	7.1
191.06975	6.0
193.10129	8.9
195.08003	7.6
195.11746	13.4
197.09557	4.5
197.13274	6.8
199.11206	8.6
207.11739	8.9
209.09583	11.2
209.13313	6.5
211.07483	4.0
211.11244	11.8
211.14758	5.1
213.09102	7.1
213.12752	10.5
215.14140	3.8
219.11832	4.7
221.09645	5.0
221.13354	6.3
223.11150	7.4
225.12814	6.0
227.10579	4.3
227.14261	8.6
229.12219	7.5
231.09991	6.2
235.07599	4.2
235.11110	4.2
237.12729	13.8
239.14307	8.3
241.12344	5.0
243.13771	4.9
251.10608	3.6
255.13669	27.2
263.14252	5.2
264.54916	3.7
265.12231	4.1
266.09521	4.1
267.13745	7.2
273.14850	10.6
283.13269	12.6
285.14899	7.6
301.14331	40.5
309.14749	8.6
313.14310	12.8
327.15866	8.9
331.15384	100.0
332.15643	5.3
341.13800	5.2
343.11798	3.8
355.15393	13.6
373.12708	5.3
373.17130	36.0
398.08594	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1643
Annotation	(+)-Phillygenin
Peak:m/z	Relative Intensity
53.00304	0.3
55.01852	1.1
55.05500	0.8
57.03432	0.4
61.02900	0.4
65.03919	0.4
65.29989	0.3
65.93105	0.3
67.05480	0.8
69.03403	0.5
69.07059	2.1
70.22436	0.5
71.04996	1.5
74.94236	0.3
75.04445	1.0
79.05473	0.8
81.07040	0.9
83.04962	0.8
83.88708	0.3
85.02902	7.8
85.06510	1.5
91.05482	1.6
93.07029	0.7
95.04965	1.9
95.08557	0.4
96.52081	0.3
97.06521	0.3
99.04476	0.4
103.05443	0.6
105.07017	0.8
107.04915	0.7
107.08562	0.7
109.10154	0.4
111.08015	0.3
115.05439	0.4
115.07591	0.3
117.06987	0.5
119.04877	0.4
119.08581	1.5
121.02848	0.5
121.06484	0.4
125.94509	0.3
128.06224	0.5
129.06998	1.5
131.04880	0.7
131.08527	0.7
132.05737	0.4
133.06465	0.6
134.03633	0.4
135.04414	0.5
135.07974	0.6
136.01460	0.4
137.05995	0.5
141.06931	0.6
143.04831	0.4
143.08524	0.4
145.06445	0.6
146.07263	0.7
147.04410	4.0
147.08052	3.7
151.03911	2.6
151.07544	0.4
153.05505	1.6
153.06879	0.3
157.06450	0.8
158.07245	0.9
159.04396	0.9
159.07993	1.1
160.05144	0.4
160.08900	0.5
161.05956	0.8
163.07565	0.3
165.07018	0.7
166.06297	0.4
167.07011	2.3
167.08521	0.7
169.06429	1.0
170.07249	0.4
171.04376	0.6
171.08037	0.4
173.05975	0.6
173.09644	0.9
174.06786	1.1
175.03896	10.5
175.07498	1.2
176.04631	2.4
177.05397	0.5
178.07797	0.5
179.08502	0.6
181.06500	0.6
181.08546	1.4
181.10007	0.5
182.07344	0.5
183.04456	0.3
183.08009	0.6
184.05110	0.5
185.05962	1.8
185.09706	0.4
186.06726	0.7
187.07539	1.5
189.05453	1.1
189.09055	1.3
191.07053	2.7
191.08572	0.5
191.10661	0.6
192.09331	0.5
193.10123	1.1
194.07224	0.5
195.07973	1.5
196.05223	0.4
196.08856	0.5
197.05951	1.1
197.09642	1.2
198.06731	0.9
199.03938	0.7
199.07526	1.2
201.05424	1.8
201.09094	2.5
202.06200	1.2
202.09914	1.6
203.03349	1.4
203.07034	2.0
203.08607	0.4
203.10565	0.8
204.04214	1.9
204.07796	1.1
205.04935	1.4
205.08485	0.7
207.06412	0.4
208.08786	0.6
209.05965	0.5
209.09610	1.6
210.06749	0.7
210.10384	1.0
211.07483	1.4
211.11172	0.6
212.08398	1.7
212.11929	0.4
213.05475	1.4
213.09001	1.5
214.06213	2.1
215.06993	4.0
215.10619	0.9
216.07912	1.5
216.11307	0.6
217.04991	0.4
217.08588	4.1
219.06512	83.1
220.06914	3.6
221.09702	0.6
222.06873	0.5
223.07504	0.8
223.11057	0.5
224.08257	0.6
224.11925	0.4
225.05481	0.5
225.09035	1.6
225.12712	1.3
226.06328	1.8
226.09827	0.8
227.06966	1.6
227.10533	1.5
228.07762	1.1
228.11336	2.3
229.04962	0.7
229.08578	6.6
230.09264	2.2
231.06514	24.2
231.10197	1.5
231.13689	0.7
232.06938	1.8
233.07932	0.5
234.08801	3.6
235.07513	0.6
235.09496	2.1
236.11993	0.6
237.05408	0.8
237.09117	1.4
238.06322	0.5
238.09827	1.1
239.07045	0.7
239.10594	2.0
240.07771	1.2
240.11409	0.5
241.04919	0.7
241.08566	2.1
241.12178	0.9
242.05750	0.8
242.09308	1.1
242.12927	0.6
243.06429	0.9
243.10199	2.0
243.13779	1.1
244.10841	1.0
245.08083	1.7
245.11726	0.9
246.08870	41.6
247.09509	5.1
249.09140	1.6
250.06100	0.4
250.09671	0.5
251.06960	1.1
251.10622	1.2
252.07768	0.8
252.11334	0.9
253.08499	1.2
253.12238	3.6
254.05656	0.4
254.12979	0.9
255.06483	0.7
255.10141	2.9
255.13893	0.4
256.07236	0.6
256.10855	1.4
257.08066	5.5
257.11484	1.5
257.15363	0.8
258.08667	0.7
259.09604	0.8
259.10135	0.6
259.13275	11.7
260.13651	0.7
261.11215	27.8
262.11609	1.8
263.10638	0.6
264.11493	1.1
265.08585	1.9
265.11520	0.5
266.09268	1.2
267.06335	0.5
267.10065	2.3
267.13724	1.0
268.07230	0.5
268.10770	0.8
269.08157	0.9
269.11621	1.5
270.08789	0.6
270.12451	1.1
271.09573	1.5
271.13275	1.4
272.06757	1.1
273.07507	0.5
277.08667	0.5
279.10147	0.7
280.07397	0.4
280.10886	1.0
281.08044	1.6
281.11679	2.2
282.08978	0.6
282.12381	0.9
283.06464	0.5
283.09610	2.1
283.12527	0.4
284.10422	0.8
285.10043	1.5
285.14746	4.3
287.09116	3.1
287.12756	3.9
288.09515	0.5
289.10718	0.7
292.11014	0.6
293.08069	0.6
294.08817	0.5
295.10092	0.5
295.13251	3.5
296.13995	0.6
297.07794	0.4
297.11197	1.5
297.14603	0.7
298.08316	0.8
298.11948	1.6
299.09079	1.0
299.12704	2.2
301.14188	0.6
308.10486	1.9
309.11273	0.8
312.09924	0.4
312.13449	0.4
313.10803	0.7
313.14285	10.7
314.14929	1.3
317.17508	0.5
323.12723	3.7
324.13428	0.5
325.10385	0.5
327.15918	1.2
340.12979	1.0
341.10132	0.6
341.13840	5.6
342.14349	0.6
345.16956	31.6
346.17233	2.6
355.15457	3.7
373.16446	100.0
374.16779	8.8
374.21475	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97705	0.7
67.05511	0.9
69.01452	4.3
69.01884	2.6
69.07067	5.6
73.12148	0.6
79.84394	0.7
81.07059	0.8
85.97859	0.7
91.05484	1.1
95.20638	0.7
98.23352	1.6
119.08539	0.9
128.06203	1.0
131.08569	1.1
141.06964	0.8
153.05458	2.1
153.06963	1.1
155.04965	0.8
155.08652	0.9
156.05748	1.0
157.06444	0.8
159.08043	1.4
165.06992	1.1
167.07095	1.2
167.08565	1.0
169.06448	2.2
170.07317	0.8
171.04343	1.0
171.08022	0.7
173.06049	0.8
179.08585	2.1
181.06514	1.6
183.04379	1.6
183.08080	1.5
184.05171	6.5
185.05939	1.2
185.09671	1.1
186.06525	0.9
187.07610	0.9
195.04298	0.7
195.08069	2.0
196.05194	1.6
197.05954	3.6
197.09653	1.6
198.06781	3.7
199.03882	1.4
199.07527	12.5
200.04706	0.7
200.08116	1.2
201.05621	1.4
201.09064	1.5
208.08826	1.6
210.06856	1.9
211.03972	2.8
211.07509	4.1
212.04630	4.8
212.08258	1.6
213.05525	3.5
213.09146	2.7
214.06206	2.0
215.03325	0.8
215.06984	2.9
219.10068	0.9
221.06009	0.7
223.07484	1.7
223.11217	2.3
224.04797	1.3
224.77072	0.7
225.05511	2.7
225.09128	2.3
226.06242	18.6
226.09779	1.6
227.03476	1.4
227.07004	20.1
227.10507	1.5
228.04245	1.5
228.07755	5.0
229.04922	8.2
229.08435	1.0
231.06464	1.5
235.07617	1.0
236.08366	2.1
238.06198	1.5
238.09874	1.0
239.06976	4.6
240.04152	7.7
240.07799	3.3
240.11440	0.9
241.04948	3.4
241.08542	6.1
242.05722	6.8
243.02852	1.2
243.06508	9.8
244.07289	5.1
245.08057	2.5
247.09732	1.1
250.09991	0.9
251.07104	1.9
251.10626	4.7
253.04948	1.5
253.08624	6.0
254.05757	5.4
254.09285	2.0
255.06516	10.8
255.10107	5.2
255.13785	1.0
256.07141	4.3
257.04398	3.8
257.08090	10.9
258.05240	1.6
258.08737	1.3
259.05881	1.2
259.09683	6.3
261.07501	1.1
265.08603	0.8
266.09198	0.9
267.06549	5.5
267.09302	0.9
268.03793	1.6
268.07184	1.9
268.11017	2.4
269.04874	1.1
269.08038	9.5
269.10974	1.1
270.05240	7.6
270.08353	1.4
271.06088	6.5
271.09323	5.0
272.06787	12.3
272.09686	1.3
273.07404	2.5
275.09320	1.1
279.06613	1.1
279.10211	3.7
280.10861	1.6
281.08173	3.3
281.11749	2.3
282.08969	1.9
283.06070	1.9
283.09647	4.1
283.13312	5.2
284.06772	2.9
284.10410	4.6
284.13458	1.5
285.07562	38.0
286.04749	9.6
286.08289	11.4
286.11969	2.3
287.05817	1.2
287.09125	37.2
288.09485	2.9
289.07022	1.1
295.09692	2.1
296.10318	2.3
297.07690	5.7
297.10925	1.4
298.08325	1.9
298.12015	1.0
299.09103	14.6
300.09680	2.4
301.07068	27.3
301.10629	2.5
302.07568	1.9
304.09399	5.7
305.10156	7.3
309.11252	2.8
310.11804	1.3
311.09183	2.1
311.12677	13.0
312.09882	13.5
312.13138	1.2
313.10599	7.0
313.14398	6.0
314.11520	6.5
315.08585	1.2
315.15857	4.7
317.10175	14.1
326.11526	2.5
328.13107	1.1
329.10211	2.1
341.13806	21.2
341.17740	1.3
342.14511	8.0
343.15366	21.0
343.19446	1.5
344.15799	1.9
355.20279	0.9
358.14084	21.1
359.14603	1.7
373.16464	100.0
374.16779	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22739	0.7
61.45716	0.7
67.05486	0.9
69.07065	1.3
71.31371	0.8
79.05483	3.2
81.07059	1.2
91.05474	3.2
93.07046	2.3
95.04993	1.4
97.06513	0.9
103.05450	0.8
105.07032	1.6
107.04955	16.1
107.08583	0.9
109.10201	1.0
110.03638	1.4
111.91410	0.7
117.06995	0.9
121.06489	4.1
125.06008	1.1
129.06993	1.2
130.07762	1.5
135.04404	11.9
135.11639	0.8
138.03111	7.8
141.06885	0.9
143.08505	1.4
145.10133	2.0
149.05963	1.2
152.04668	10.0
153.05463	51.2
154.05849	1.8
158.07272	3.6
167.07040	100.0
168.07321	3.6
171.08008	1.2
173.09639	7.6
181.08589	7.1
186.06638	0.7
187.07521	1.7
201.09111	31.9
202.09494	2.1
205.08588	2.1
213.05586	1.0
219.10132	1.9
233.11691	18.8
234.12357	1.8
254.05568	0.8
271.06033	1.3
273.07523	1.5
313.10724	1.3
315.08356	0.9
334.38507	0.8
341.13879	1.8
373.16519	9.6
373.31174	0.8
374.16351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27528	0.8
51.05679	0.7
60.83905	0.9
68.25636	0.7
69.03448	0.9
69.07061	5.1
69.71947	3.7
78.77904	0.9
83.04912	0.7
83.74386	0.8
91.05470	0.8
95.08654	1.4
105.07054	1.6
138.60709	0.9
141.06992	1.3
145.10135	1.1
151.07545	1.0
153.05508	1.0
153.07016	1.2
156.05794	1.2
157.06544	0.9
165.07021	1.9
166.07875	1.0
168.05737	1.7
169.06493	3.1
179.08658	1.1
181.06487	2.6
182.07257	1.2
183.04405	2.0
183.08064	2.5
184.05167	5.9
185.05965	1.7
187.07494	1.0
193.06505	1.1
193.10149	1.0
194.07314	1.7
195.04413	1.1
195.08041	2.7
196.05269	1.3
197.06012	3.3
197.09653	2.0
198.06776	4.9
199.07539	14.7
200.04686	1.3
201.05505	1.4
207.08046	1.1
208.08948	1.5
209.05907	1.1
209.09753	1.0
210.06693	1.7
211.03946	2.7
211.07524	6.2
212.04733	4.0
212.08360	2.9
213.05478	3.5
213.09155	2.1
214.06287	3.0
215.03304	1.0
215.07048	2.1
219.08121	1.4
221.06064	1.3
223.07593	2.1
223.11214	1.9
224.04651	1.6
224.08344	0.9
225.05580	4.4
225.09117	3.0
226.06235	19.2
226.09734	1.8
227.03546	1.8
227.07021	19.8
227.10602	1.6
228.04227	1.2
228.07669	4.5
229.05020	5.6
235.07501	2.2
236.08398	1.7
237.05472	2.9
237.09155	1.6
238.06136	1.7
239.07057	9.0
240.04199	6.1
240.07751	4.2
240.11444	0.9
241.04970	3.1
241.08545	6.7
242.05707	6.1
243.06516	7.8
244.07246	5.3
245.08022	1.6
247.07491	1.1
250.06270	1.2
250.09850	1.1
251.07021	3.0
251.10739	3.5
252.07704	1.1
253.04980	2.7
253.08633	5.3
254.05762	6.6
254.09291	1.3
255.06503	9.3
255.10043	4.8
256.07382	4.1
257.04514	4.0
257.08102	9.1
259.06113	0.9
259.06909	1.0
259.09677	6.9
261.07660	1.8
264.07773	1.2
265.08652	2.5
266.05716	1.4
266.09024	1.1
267.06509	7.8
267.09579	1.2
268.03690	0.9
268.07236	2.8
268.10883	1.8
269.04855	1.6
269.08145	12.0
270.05283	6.0
270.08591	2.1
271.06030	6.4
271.09491	5.0
272.06824	14.8
273.07529	1.3
279.06586	1.6
279.10193	3.8
280.07507	1.1
281.08112	4.1
281.11606	1.9
282.05353	1.9
282.08807	2.3
283.06027	2.6
283.09677	5.2
283.13330	5.4
284.06839	2.8
284.10446	4.0
285.07614	34.2
285.10855	2.2
286.04764	10.5
286.08310	10.4
286.11972	2.5
287.09131	33.7
288.09601	2.7
289.07162	2.2
293.08374	1.0
294.08691	1.3
295.09637	1.2
296.10318	1.5
297.07529	8.2
298.04709	0.9
298.08322	3.6
299.09113	14.3
300.06262	1.0
300.09766	2.0
301.07092	24.5
301.10480	1.8
302.07584	2.4
304.09515	3.6
305.10199	6.8
309.11279	2.4
311.09122	10.3
311.12845	10.6
312.09891	14.9
312.13193	1.3
313.10632	8.5
313.14380	5.0
314.08075	1.5
314.11411	6.6
315.08652	3.1
315.15979	3.7
317.10248	11.6
326.11569	1.5
329.10223	3.3
331.11166	1.7
341.10117	2.7
341.13831	21.3
342.14600	5.7
343.11758	1.6
343.15381	21.3
344.15872	1.2
355.11871	2.5
358.10370	9.8
358.14203	17.4
359.14648	1.0
362.43585	1.0
373.13120	4.5
373.16501	100.0
373.25360	4.0
374.16849	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01865	1.2
55.99456	0.8
65.03922	1.4
67.05502	2.2
69.03427	1.0
69.07066	1.7
70.24483	2.3
70.94669	0.8
75.15514	0.8
78.04697	3.0
79.05505	5.0
81.07065	3.7
86.10485	0.9
91.05471	8.9
93.07065	4.6
95.04968	2.4
95.08617	3.1
103.05439	1.9
105.03394	3.3
105.07036	11.7
106.04178	4.8
107.04958	4.8
107.06641	1.0
107.08604	2.4
109.02826	0.9
109.06477	1.0
109.10150	1.6
110.03648	2.0
112.64713	0.9
115.05449	2.3
117.07035	3.6
119.04949	2.6
119.08585	3.8
120.05717	2.1
121.06499	16.9
121.10146	2.2
123.04435	2.8
123.11676	1.1
124.05212	2.3
125.05986	3.0
128.06204	2.2
129.07021	3.4
130.07773	6.4
131.04936	1.3
131.08577	4.8
133.06519	1.8
133.10141	1.8
134.03639	5.9
135.04405	1.3
135.08064	2.7
135.11703	1.2
137.05980	2.3
138.03122	4.1
139.07524	1.7
141.06958	1.7
142.07828	1.0
143.08591	6.6
145.06398	1.4
145.10127	8.5
147.04382	3.5
148.05165	1.9
149.05960	1.9
151.03912	3.7
151.07452	1.0
151.11160	1.0
152.04700	7.5
153.05469	47.4
154.05804	1.2
155.08568	4.2
156.09349	1.9
157.06487	1.1
157.10065	4.4
158.07251	13.9
159.08026	3.9
159.11650	1.1
162.76077	1.0
163.07545	1.4
166.06264	15.9
167.07043	100.0
168.07405	3.7
169.10167	4.5
171.08055	3.7
171.11717	1.9
173.09625	26.7
174.09868	1.2
179.08580	1.5
180.07765	1.4
181.08601	95.0
181.62090	0.9
182.08961	5.0
186.06816	1.4
187.07521	7.2
189.09061	1.4
193.10138	1.5
195.06409	1.0
195.10161	15.0
195.11758	1.5
201.09105	65.7
202.07782	0.9
202.09499	3.5
204.07831	1.7
207.11781	2.2
209.13210	1.3
215.10567	2.2
219.06828	8.7
219.10149	54.0
220.10521	2.8
221.11636	2.1
226.92461	0.9
231.06546	1.9
231.11711	1.7
233.11647	2.8
235.14812	1.1
237.12749	1.0
245.13277	1.6
246.08890	2.9
257.08066	1.5
257.13281	1.6
261.11295	3.5
261.16437	1.0
271.14896	1.4
273.16302	1.1
274.17172	1.3
285.07541	2.0
286.08188	1.1
297.12549	1.0
299.17758	1.0
313.19495	1.3
316.09335	1.6
317.10086	1.6
345.17084	2.7
355.19046	1.3
373.16495	11.8
373.21481	23.3
374.21878	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11840	0.4
56.96828	0.4
69.03415	0.9
69.34298	0.4
84.08146	0.6
85.02905	2.1
86.09666	0.5
89.03912	0.9
97.02875	0.6
105.07095	0.4
117.03366	2.4
121.06513	0.4
127.03871	0.8
129.10202	0.5
135.04349	0.6
137.06003	1.7
145.02838	6.4
145.05052	0.4
145.21539	0.4
149.06006	1.5
151.03900	0.7
161.06004	0.9
163.03961	0.9
173.05859	0.4
177.05466	15.7
193.06429	0.6
193.12019	0.7
195.06525	6.3
203.05269	4.7
211.09467	0.5
211.13155	0.7
211.15097	0.7
225.09143	0.7
253.08658	1.0
310.69806	0.4
313.10501	0.6
323.45273	0.4
341.10287	0.5
355.11713	0.6
373.18317	100.0
374.18640	8.8
383.43179	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1832
Annotation	17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate
Peak:m/z	Relative Intensity
66.31078	0.4
69.56751	1.7
70.06610	0.4
71.80996	0.4
86.09708	1.1
91.05446	0.4
115.12123	0.4
137.05998	0.8
145.02852	1.0
147.04420	0.8
163.03885	0.6
177.05492	1.2
195.06570	0.7
196.58148	0.4
198.87524	0.3
199.18129	0.4
211.09470	0.5
211.13150	0.4
222.07449	0.6
373.18341	100.0
374.18692	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
71.33363	0.6
81.07076	0.9
85.02887	0.7
91.05476	0.4
93.07053	0.4
95.08604	0.5
97.02879	0.3
105.07034	0.7
107.08623	0.4
108.16206	0.4
115.05410	0.4
119.08582	1.1
123.04474	0.4
123.08134	0.4
131.04970	0.4
133.10172	1.7
135.11754	0.5
137.05984	1.6
145.06528	0.4
151.03880	1.8
151.07608	0.4
159.08055	0.8
161.05984	0.8
175.07573	0.6
175.14825	2.8
185.04300	0.3
211.13126	1.3
225.09108	0.4
237.09135	0.4
239.10512	0.6
249.09149	0.6
251.07210	0.5
263.10751	0.4
265.08636	0.7
266.09445	0.8
267.10193	0.4
277.08594	0.6
279.09866	0.5
281.11746	1.3
283.09778	0.7
295.09653	0.5
299.12671	1.6
309.11221	1.6
311.09164	1.0
311.12686	0.5
326.11511	1.0
341.13834	8.7
342.14288	0.8
365.80890	0.4
373.18338	100.0
374.18686	8.3
374.23215	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14186	0.4
51.84829	0.4
54.19090	0.4
57.03431	0.4
58.48607	0.4
60.26200	0.3
69.00221	3.8
69.00625	1.2
69.03434	0.8
84.62452	0.5
85.02913	1.8
89.03904	0.8
106.17725	0.4
113.03591	0.4
117.03394	2.1
125.01504	0.5
135.04436	0.5
139.03944	0.4
145.02840	4.8
149.06000	1.0
153.01105	0.6
171.02072	1.8
174.92789	0.4
177.05467	8.6
185.78661	0.5
193.12057	1.2
195.06497	4.6
203.05257	5.8
373.18307	100.0
374.18649	8.0
374.23032	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
55.05501	0.9
57.03416	0.4
59.04993	0.6
65.50815	0.3
67.05504	1.5
69.03429	0.9
69.07052	1.0
69.38122	1.9
79.05492	0.8
81.07069	1.6
83.04983	4.5
85.02905	2.5
91.05440	0.5
93.07034	0.7
95.04962	1.2
95.08603	1.6
97.02892	0.8
105.07027	0.8
107.08607	0.9
109.06517	0.8
109.10162	2.6
119.08597	0.8
121.10150	0.4
123.04422	0.7
123.11694	0.3
124.07561	0.3
127.03913	0.7
133.10117	1.2
135.11699	1.1
137.09616	6.8
149.05960	0.4
149.09570	0.4
149.13310	0.4
155.10660	1.2
175.14818	1.1
177.05467	2.1
193.12091	0.6
193.15900	3.3
194.16266	0.3
194.29610	0.3
203.05267	0.5
205.05081	0.6
211.13054	1.5
222.07390	0.4
343.17474	0.7
360.31659	0.4
373.18317	100.0
374.18643	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1833
Annotation	17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate
Peak:m/z	Relative Intensity
57.03434	0.3
64.11717	0.3
65.17994	0.3
85.02884	1.7
93.89080	0.3
94.04207	0.8
102.57806	0.3
122.03658	1.3
137.05981	9.4
195.06429	0.4
203.05275	0.5
211.05826	0.6
256.17328	0.3
280.01627	0.3
373.18335	100.0
374.14276	0.6
374.18674	8.6
374.22137	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	0.4
69.07095	0.4
69.62993	2.0
81.03433	0.4
81.07053	0.9
81.80504	0.4
83.09641	0.3
85.02901	0.7
88.32433	0.3
91.05473	0.5
93.07069	0.4
95.08609	0.6
97.02899	0.6
98.23320	0.6
105.07033	0.9
107.08540	0.5
119.08569	2.3
123.04417	0.5
123.11698	0.5
124.99820	0.3
128.21100	0.3
130.18221	0.4
130.71556	0.3
133.10115	2.6
135.11630	0.6
137.05971	1.9
147.11603	0.4
151.03873	2.0
151.07555	0.5
152.45695	0.3
159.08046	1.2
161.06041	0.8
162.06734	0.3
164.68385	0.4
167.01662	0.4
175.07655	0.5
175.09448	0.3
175.14819	3.5
178.86945	0.4
180.46584	0.3
185.04034	0.4
189.37317	0.3
193.15909	0.6
196.08884	0.4
203.07016	0.4
211.13040	1.6
237.09013	0.5
239.06993	0.5
239.10796	0.5
241.08617	0.4
249.09149	0.5
251.07092	1.2
253.05167	0.4
255.10284	0.4
258.12759	0.4
265.08533	0.4
266.09216	0.6
267.10144	0.6
268.07468	0.5
268.10724	0.4
277.08716	0.6
281.11832	1.0
283.09573	1.0
287.44278	0.4
294.08862	0.6
297.11365	0.4
299.12842	1.1
309.11197	2.2
310.11603	0.6
311.09164	1.0
311.12668	0.5
325.10822	0.4
326.11462	1.2
327.12042	0.4
341.09937	0.4
341.13785	9.9
342.14285	1.1
373.18320	100.0
374.18661	7.6
394.92520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1834
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
53.03912	0.3
57.03429	0.4
69.03419	0.7
69.55827	0.9
69.56233	0.5
71.04995	0.4
81.07068	0.3
83.05005	0.3
85.02912	2.1
86.09723	0.4
89.03911	0.7
91.05448	0.3
93.07022	0.3
95.04963	0.2
97.02886	0.9
98.22625	0.3
99.04433	0.3
105.07008	0.3
107.04954	0.5
109.06539	0.3
115.53262	0.2
117.03390	2.1
121.06590	0.3
127.03946	0.5
133.06476	0.2
136.25435	0.2
137.02298	0.3
137.05951	0.5
145.02852	5.3
145.04890	0.3
149.05966	1.2
153.05540	0.3
161.05991	0.3
163.03931	0.4
163.95390	0.2
177.05484	10.5
177.07033	0.5
183.59305	0.2
185.04285	0.5
193.08356	0.6
193.12212	0.4
195.06537	5.6
203.05357	0.7
211.05794	11.0
211.09308	3.1
212.06102	0.3
235.06056	0.3
373.18369	100.0
374.14426	0.4
374.18735	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.05505	0.4
59.05025	0.4
66.04720	0.6
67.05511	0.3
69.03448	0.5
69.07063	0.7
69.12455	2.7
78.04684	0.4
79.05502	2.3
83.04967	0.8
90.04707	0.5
91.05479	5.0
91.21191	0.3
91.46133	0.3
93.07031	0.5
94.04182	1.0
95.04967	1.4
96.05756	0.8
103.05463	0.5
105.04551	0.6
105.07044	1.5
106.04164	0.5
107.04954	5.6
107.05614	0.5
108.05751	4.2
109.02882	0.6
109.06514	1.1
115.05461	1.0
117.07011	1.1
119.04968	0.6
119.08597	0.7
121.06502	2.7
122.03619	0.9
123.04436	0.5
123.08057	0.4
124.05212	4.8
126.03119	0.4
129.07051	0.5
131.04926	1.1
132.05713	1.1
133.06461	1.1
134.07199	0.6
135.04381	2.7
135.08041	1.4
136.05199	6.7
137.05963	0.8
138.06776	4.9
139.07545	18.9
140.07857	0.8
141.06966	0.5
143.08591	0.4
145.06459	0.5
147.08047	2.7
148.08824	1.5
149.05907	1.9
150.06750	2.6
151.07538	100.0
152.07877	4.2
155.07019	1.0
157.06491	0.3
157.10204	0.3
159.08043	1.1
160.08842	1.3
161.06010	0.7
162.06749	0.9
163.07518	0.9
164.08331	5.9
165.05475	28.8
165.06624	1.0
165.09113	17.3
166.05818	1.1
166.09445	1.2
167.07043	16.8
167.08501	0.9
168.07298	0.6
171.08080	1.1
172.08881	0.4
176.08316	3.4
177.09013	1.1
179.10664	28.9
180.11008	1.6
181.06432	0.8
183.08102	0.9
185.09500	0.4
186.10373	2.8
187.07513	2.4
188.08258	0.5
191.10660	5.3
193.08572	0.8
195.08315	0.6
195.10187	2.0
197.05923	1.6
198.06764	1.2
199.07477	0.7
202.09900	8.5
203.10263	1.0
207.13806	0.5
209.06012	0.7
210.06750	0.6
211.07480	2.2
212.08292	0.8
213.05515	0.6
213.09067	1.2
214.06238	0.7
217.12238	18.9
218.12546	1.1
221.11560	0.4
223.07494	0.7
224.04648	0.5
225.05441	1.5
225.09033	0.9
226.06187	3.7
226.09612	0.5
227.07048	2.1
228.07697	0.7
229.08537	1.3
232.51666	0.4
235.13283	47.5
236.13618	3.9
238.06158	1.3
239.07018	2.5
240.07730	1.8
241.04994	1.7
241.08607	5.4
242.05737	2.1
242.09081	0.6
243.06506	1.1
243.10071	0.6
251.06850	0.6
252.07745	0.6
253.04984	1.0
253.08453	1.0
254.05724	4.7
254.09076	0.7
255.06506	4.9
255.10031	1.5
256.07309	3.5
256.10095	0.6
257.04581	2.7
257.08063	8.4
258.08670	0.7
266.05737	0.9
267.06454	2.6
267.09393	0.4
268.07294	1.7
269.04443	1.4
269.08026	6.7
269.10858	0.6
270.05194	1.8
270.08664	1.5
271.06000	1.5
271.09607	3.5
272.06714	1.8
272.10364	0.6
279.06747	0.4
281.04614	0.6
281.07928	1.0
282.05130	1.8
282.08716	1.5
283.05933	3.2
283.09549	2.8
284.06741	10.3
284.10266	2.0
285.03922	2.1
285.07477	7.0
285.10669	0.6
286.07867	1.2
287.09174	1.6
296.06714	1.4
296.09808	0.6
297.04016	0.8
297.07480	4.6
297.10486	1.0
298.08337	3.0
298.11539	0.6
299.09113	25.1
300.06223	11.0
300.09760	8.1
301.06628	1.5
301.10434	1.5
309.07465	0.7
310.08301	0.5
311.05734	0.5
311.09039	1.0
311.12198	0.5
312.06195	2.6
312.09839	2.6
312.12732	0.6
313.03531	0.6
313.06918	1.8
313.10599	11.2
314.07999	0.5
314.11252	2.8
315.08557	11.5
315.12207	10.5
315.15793	0.6
316.08978	1.3
316.12662	1.1
325.07098	0.5
326.07816	0.6
327.08521	16.2
328.05630	2.3
328.09155	2.7
329.09705	0.6
341.10120	3.4
341.13654	0.8
342.10895	46.8
343.07980	13.5
343.11551	9.7
343.14667	0.7
344.08264	1.4
344.11819	1.1
345.13034	0.5
355.19009	1.8
358.10394	18.6
359.10696	2.5
373.12726	60.4
374.13132	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.8
61.91889	0.6
65.03943	0.6
67.05482	1.8
67.68656	0.7
70.41689	0.6
79.05483	2.1
80.06308	0.8
81.07046	2.3
83.04952	2.0
91.05473	3.2
93.07040	3.2
95.04936	0.9
95.08568	2.5
105.07024	2.4
106.04117	0.9
107.04920	3.4
107.08589	1.6
108.05731	1.6
109.10153	0.9
111.04469	1.0
113.00110	0.9
117.07024	1.7
119.08556	2.3
121.06475	1.9
121.10105	0.8
123.04438	1.7
129.07019	1.0
131.08571	1.4
133.10083	1.0
135.07996	1.1
136.05206	1.3
137.05977	1.1
139.76863	0.6
141.06985	1.1
142.55296	0.6
143.08585	1.5
145.06422	1.4
145.10075	1.9
146.07225	1.5
147.08043	2.7
149.09589	0.9
151.07539	43.8
152.07945	1.7
153.06924	1.1
154.07765	1.2
155.08527	1.1
157.06519	1.2
157.10129	1.7
158.07266	1.1
159.08067	2.8
159.11671	1.1
160.08827	1.2
161.06009	1.7
161.09546	0.9
162.06837	4.5
163.07414	0.9
167.07050	10.0
167.08484	0.8
169.10144	1.8
171.11720	0.8
172.08832	1.7
173.09608	12.3
174.10291	1.1
175.07536	6.2
176.08299	4.0
177.09100	11.2
181.10112	1.8
183.11676	1.3
185.13197	0.7
187.11145	1.3
188.11957	13.3
189.09135	4.9
189.12494	1.0
190.09883	11.5
191.10574	2.4
193.10085	1.1
197.09612	1.5
197.13217	0.9
201.09129	0.9
203.08539	1.1
203.10495	0.9
204.09709	1.1
204.11462	5.6
205.10313	1.1
205.12222	4.4
209.09662	1.1
216.09059	0.7
217.10115	1.1
217.12166	0.8
218.10857	1.0
219.13794	100.0
220.14130	6.1
221.11711	1.1
228.87259	0.8
232.12297	0.8
233.13237	1.0
235.07433	0.9
237.09309	0.9
239.10529	0.8
243.13823	0.8
244.12392	0.9
245.15703	1.2
247.14700	1.0
259.14743	0.9
270.08963	0.8
274.17072	1.4
277.08725	1.3
277.15781	0.8
278.09198	1.5
281.11737	1.0
283.09613	0.8
294.08554	0.8
295.09283	0.7
297.07516	0.8
299.08948	0.7
302.07938	0.9
309.11142	2.4
311.09009	2.0
313.13974	0.8
317.10120	1.7
337.17902	2.2
341.13766	2.9
343.11963	1.1
355.19537	0.9
358.14023	3.1
373.16397	4.2
373.21341	10.3
374.21759	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01875	0.8
55.05509	2.9
55.39271	0.2
57.03424	0.8
57.07086	0.3
59.04997	1.0
60.70982	0.2
61.02921	0.3
65.03944	0.2
67.05506	4.7
69.03429	2.1
69.07069	1.7
71.04990	1.0
71.28300	0.4
79.05509	1.3
81.03413	0.7
81.07057	4.3
83.04980	8.4
83.08636	0.4
83.89281	0.3
85.02898	4.9
85.06528	0.3
86.09718	0.5
91.05468	1.8
93.07031	1.7
95.04966	2.7
95.08598	4.5
97.02907	1.3
97.06528	0.7
99.04443	0.6
103.05479	0.3
105.07027	1.6
107.04959	0.4
107.08597	2.2
108.04436	0.4
109.02873	0.6
109.06545	1.5
109.10145	6.2
111.04443	0.4
111.08103	0.7
115.03935	0.3
119.04946	0.5
119.08566	2.4
120.08083	0.5
121.06506	0.5
121.10143	1.1
122.03625	0.6
123.04453	0.8
123.08061	0.5
123.11680	0.8
125.05943	0.4
125.09611	0.6
127.03914	1.5
129.23250	0.3
131.04878	0.4
133.10107	1.7
135.08032	0.7
135.11665	2.0
137.05980	5.7
137.09607	14.5
138.06277	0.3
138.09970	0.6
145.02829	0.4
145.04927	0.5
145.06444	0.3
147.04405	0.8
147.08029	0.4
147.11652	0.4
149.05977	0.7
149.13269	0.3
150.06744	0.5
150.09148	0.5
151.03912	0.4
151.11183	0.4
155.10684	3.3
162.05516	0.5
167.07097	0.5
168.06557	0.3
173.06001	0.9
175.07468	0.3
175.14828	2.7
177.05423	1.7
179.07068	0.3
193.12061	1.2
193.15880	8.0
195.06471	0.3
201.05452	3.2
203.05191	0.6
205.06575	0.8
207.06523	0.4
211.13077	1.5
211.16922	1.0
217.15822	0.4
219.06570	1.0
222.11285	0.7
237.09143	0.4
250.06166	0.4
265.08508	0.6
277.08658	0.3
293.08081	0.6
302.48273	0.3
305.08060	0.3
307.09708	0.5
325.10672	0.8
337.10580	0.6
355.11960	0.3
373.18307	100.0
374.18668	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.2
67.05521	1.9
69.03432	3.6
69.07067	4.0
71.04978	4.8
71.30218	2.7
72.08149	18.4
79.05481	3.8
81.07063	16.3
83.08622	3.4
85.02900	13.2
86.09724	1.8
91.05469	9.5
93.07040	8.6
95.08607	17.5
97.02876	1.9
99.08109	5.8
100.07634	2.1
100.11250	5.2
105.07031	16.2
107.04974	1.8
107.08592	14.1
109.10201	1.8
111.04454	3.0
113.09637	2.2
118.06495	2.0
119.08584	58.9
120.08882	2.7
121.10135	1.7
123.11703	6.4
125.20350	1.9
131.08572	2.2
133.10132	79.9
134.10461	3.9
135.11694	23.4
137.05956	2.9
145.10115	1.9
147.11638	2.7
151.03860	3.4
173.13292	2.0
175.14818	100.0
176.15182	5.0
182.15427	8.2
193.15862	15.7
202.15863	7.0
210.14899	12.5
211.09381	1.8
211.16920	10.3
214.84293	2.1
220.16881	14.2
228.16006	3.1
231.16904	2.4
233.02336	1.7
256.76108	1.7
313.11746	4.7
317.14465	2.0
337.21225	7.0
341.13712	1.6
355.22156	5.6
373.13916	9.5
373.18021	4.0
374.17096	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13956	0.8
55.01856	1.3
55.05503	3.5
59.04995	1.6
67.05496	6.3
69.03433	2.7
69.07056	1.7
69.07398	2.4
69.07819	4.3
79.05508	1.8
81.03415	0.9
81.07063	4.9
83.04979	12.5
85.02906	6.3
93.07043	1.9
95.04965	3.4
95.08620	6.5
97.02915	1.4
99.04458	1.7
105.06995	1.9
107.08569	3.3
109.02888	1.2
109.06483	1.8
109.10166	9.4
111.08079	1.3
119.08578	2.7
121.10125	1.3
123.04440	1.2
123.11728	1.1
125.09622	1.0
127.03910	1.7
133.10130	2.5
135.08090	1.3
135.11690	2.4
136.07509	0.8
137.05968	4.1
137.09618	18.8
147.04448	1.0
149.05948	1.0
155.10680	3.9
162.05528	0.9
162.74287	0.8
175.14793	4.6
193.11949	1.1
193.15886	10.2
194.16177	1.0
201.05495	1.1
211.13089	2.2
211.16920	1.8
219.06482	1.2
222.11404	1.0
337.93228	0.8
370.62616	1.0
373.18326	100.0
374.18793	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	8.1
55.05519	16.4
56.28239	5.1
57.03431	8.5
65.03957	6.6
67.05508	19.5
69.03438	18.2
69.07063	18.8
70.49723	9.1
70.50047	8.1
78.73103	5.1
79.05500	20.5
81.03423	10.3
81.07059	36.1
83.04985	15.5
85.02908	61.7
85.06549	11.2
91.03979	5.5
91.05494	15.5
93.07056	29.0
95.04963	20.8
95.08596	49.2
97.02917	14.5
97.06514	13.6
97.10206	7.9
99.04409	6.1
105.07032	26.2
107.04974	8.3
107.08590	33.1
109.06530	21.6
109.10154	51.3
111.08082	11.2
117.07056	7.4
119.08595	43.1
119.76784	5.0
121.06610	5.6
121.10143	17.1
123.04405	10.1
123.08070	17.8
123.11711	23.2
127.03915	12.8
127.07625	6.1
131.08611	8.8
133.10123	32.0
135.08133	8.5
135.11726	32.9
137.05959	30.5
137.09616	32.1
139.11234	9.6
145.04997	18.3
145.10085	7.1
146.06084	5.3
147.11687	8.9
151.03934	22.7
151.07510	8.1
151.11198	6.7
151.14789	7.9
152.04167	5.4
153.32869	6.0
159.08041	6.2
161.06004	9.1
165.06825	5.9
165.12769	7.3
173.06000	6.0
175.07556	12.4
175.14784	46.8
179.30353	5.1
181.04979	6.9
187.07582	9.0
189.12674	5.3
191.07054	9.7
193.12274	6.0
193.15926	30.8
206.04553	11.5
209.06023	7.2
210.06775	6.3
211.16911	100.0
224.04764	6.4
238.06296	8.1
253.05194	5.6
253.08519	9.2
255.06529	10.7
281.08032	15.3
281.11578	9.6
309.07776	7.0
309.11279	16.8
313.10983	22.4
319.22757	8.5
332.08841	6.5
341.10233	10.3
341.13715	33.4
345.13223	8.3
358.10223	7.2
373.13657	27.8
373.17920	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.1
57.03425	3.7
58.08490	3.2
59.05011	5.1
67.05495	9.5
69.03407	3.7
69.07063	5.8
69.33952	19.4
72.15997	2.6
73.02884	3.4
75.94122	3.6
79.05491	7.6
81.07055	17.5
83.08593	3.4
85.02897	12.4
85.06554	6.8
85.47206	3.3
87.78643	3.2
91.05477	5.9
93.03400	2.8
93.07043	11.2
95.04963	5.1
95.08630	17.9
97.02917	3.6
97.06536	3.4
98.23376	3.2
99.08086	23.7
105.07034	11.7
107.08595	9.9
109.06533	3.1
109.10142	15.9
111.08060	5.1
117.06988	3.3
119.08588	8.9
121.06528	2.9
121.10133	4.6
123.08068	5.6
123.11746	3.7
127.03971	3.8
131.04903	3.8
131.08578	3.2
133.10123	13.8
135.11696	11.4
137.05974	10.4
137.09612	11.9
139.07509	2.7
141.05478	4.4
145.06461	3.6
147.04459	3.2
149.06017	3.2
151.03943	18.8
151.07449	3.6
153.05414	4.1
155.10707	4.0
159.08023	5.0
161.05930	5.9
163.03989	3.1
163.07559	3.9
165.05475	2.8
167.07048	7.2
169.06546	4.7
173.05974	8.9
175.07607	5.7
175.14848	11.6
181.04953	8.0
187.07524	3.7
192.68362	2.7
193.15930	16.2
195.08040	5.7
196.05223	4.5
197.05948	4.9
199.03842	4.3
199.07523	3.6
201.05458	8.6
203.08603	3.8
205.08536	5.2
206.07326	3.0
211.07552	7.7
211.11276	7.0
211.16942	23.6
213.05473	8.7
213.09196	3.1
214.06224	7.9
219.10173	6.1
220.08820	3.1
221.05786	3.5
221.09666	3.3
223.07579	3.7
225.05499	6.9
225.09143	11.3
226.06143	4.4
227.07011	10.5
228.07809	7.3
229.04939	11.9
233.05966	3.3
234.04393	2.7
235.07515	4.7
237.05492	4.7
237.09000	4.4
238.06190	6.2
238.09818	6.4
239.07028	10.3
239.10699	7.5
240.07652	3.0
241.04865	5.2
241.08633	4.1
242.05719	12.4
243.06451	6.1
243.10162	4.6
244.07469	3.8
245.04428	3.4
246.05435	4.1
249.09094	9.5
251.07069	8.4
253.04936	13.5
253.08583	13.7
254.05606	2.8
255.06502	8.5
256.07336	10.0
257.04572	3.0
257.08121	13.6
263.10907	3.5
265.08527	11.4
266.09265	8.1
267.06561	19.9
267.09888	5.1
271.06146	5.6
271.09662	13.4
272.06625	3.4
273.03812	4.2
273.07538	3.9
277.08609	9.4
279.06622	5.9
280.07074	3.3
281.08218	8.0
281.11707	17.3
283.05994	7.4
283.09525	8.4
284.06775	3.5
285.07632	19.6
285.10693	5.0
287.05505	5.2
288.06183	3.7
289.07031	12.2
290.07791	9.3
293.07870	5.0
294.08899	7.3
295.09555	8.7
295.12985	4.2
297.11185	3.1
298.11981	4.4
299.09100	30.9
299.12714	12.9
300.09485	6.5
301.14267	4.6
302.07819	5.2
303.08698	12.5
304.09192	17.2
309.11145	23.8
310.11707	5.3
311.09079	6.3
313.10791	7.5
313.14206	6.7
314.11136	3.0
315.08603	6.3
316.09290	4.1
317.10168	21.0
318.10501	4.5
323.12604	6.4
326.11542	6.7
327.12314	8.6
330.10654	4.2
331.11655	23.4
341.09772	5.4
341.13815	100.0
342.14487	16.9
345.12851	3.3
355.11655	11.1
355.15659	6.0
373.12933	11.5
373.16641	77.7
374.13068	5.2
374.17160	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
55.05507	3.5
60.40345	1.3
61.02912	1.7
67.05495	3.0
69.03427	3.4
69.07060	4.0
70.89116	2.0
70.89457	1.9
71.04980	1.4
77.03944	1.3
79.05486	2.7
81.03390	1.3
81.07056	12.9
83.76412	1.2
85.02904	13.7
87.62862	1.2
91.05466	5.2
93.07058	8.1
93.07533	1.4
95.08612	16.4
97.02853	1.9
97.06555	1.8
99.08083	4.6
105.07024	16.6
107.08579	10.0
109.02895	2.0
109.10138	4.1
113.09615	2.6
119.08577	50.5
121.10113	1.9
123.11697	2.5
127.03979	1.4
131.08530	1.6
133.10126	62.0
134.10385	2.6
135.11688	13.3
137.05942	2.8
145.04942	2.8
147.11649	2.8
147.25085	1.4
149.02319	3.1
149.13258	2.0
151.03931	7.4
151.04955	1.5
173.72331	1.3
175.14825	100.0
176.15111	5.4
177.05511	4.3
191.06979	1.8
193.15852	10.6
202.44426	1.3
211.16963	4.0
228.43666	1.2
275.23141	1.3
277.30682	1.2
373.13708	2.7
373.18314	18.6
374.18765	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96569	2.2
55.05515	4.6
69.03432	4.3
69.07081	3.5
70.88960	2.4
70.89294	3.6
77.60487	2.3
78.96185	1.9
79.05491	2.7
81.03407	2.1
81.07040	11.8
82.29642	1.8
85.02921	10.8
91.05478	6.2
93.07046	6.6
95.08603	20.1
97.02900	2.9
99.08113	4.2
101.30620	2.2
105.07036	19.7
107.08590	14.8
119.08582	56.8
123.11681	2.8
127.03923	2.8
129.28627	1.9
133.10130	72.4
135.11688	13.4
137.05936	10.4
137.09608	2.2
146.83377	1.9
147.11728	3.0
150.79846	2.2
151.03923	6.6
158.06120	2.3
175.14827	100.0
176.15202	6.1
193.15833	9.4
211.16962	5.8
265.60675	1.9
285.17361	1.9
292.15842	2.1
373.13351	3.6
373.18301	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	12.4
67.05505	20.6
69.03419	12.0
69.07066	13.2
70.52119	17.6
81.07062	25.0
85.06586	9.6
91.05504	18.1
95.08613	38.1
98.23202	9.7
99.08086	10.2
103.05431	15.0
105.07023	11.7
107.04947	22.3
107.08597	27.7
109.06486	12.8
109.10147	90.2
119.08570	45.2
121.10187	19.7
131.04932	37.4
131.08575	13.2
133.10155	36.5
135.11699	67.9
137.05934	12.9
137.09593	11.9
148.01384	9.8
148.05151	12.1
151.03831	15.7
154.17392	10.0
158.75272	10.4
161.05945	10.7
167.07022	48.6
175.07538	100.0
175.14828	66.6
176.04692	11.3
176.15181	12.9
177.09195	11.1
179.08452	9.7
191.07002	94.2
193.08649	38.5
193.15921	53.9
211.16887	49.0
219.08125	9.4
219.10231	11.8
235.07489	15.9
251.07022	15.1
253.08304	10.1
259.92767	11.0
263.07034	12.2
263.10574	20.4
265.08588	13.3
266.09503	16.1
267.10358	11.1
283.98691	11.6
295.09732	22.8
295.13220	10.1
306.27554	9.1
309.11264	57.9
310.11926	14.4
327.12244	27.3
329.13885	35.4
341.13931	87.8
342.14249	14.9
355.15244	22.9
373.05737	10.8
373.16531	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.1
65.90195	2.6
67.05500	10.6
69.03417	3.9
69.07062	12.4
69.14956	6.9
69.15360	18.1
71.04987	5.3
79.05487	7.1
81.07059	18.7
83.04990	3.9
83.08598	5.1
85.02908	13.2
91.05466	8.8
92.06959	2.5
93.07024	15.4
95.04967	3.9
95.08604	26.1
97.06491	3.4
99.08097	6.5
105.07043	19.7
107.08578	24.2
109.06499	6.3
109.10163	37.7
119.07772	4.5
119.08582	50.4
120.08868	3.2
121.10133	10.9
123.04391	3.1
123.08068	6.3
123.11691	8.2
124.07627	4.1
131.08537	3.3
133.10123	76.7
134.10416	3.9
135.11684	45.7
136.07591	3.4
137.05980	7.7
137.09628	7.1
145.10109	4.7
147.11723	5.8
151.11179	3.3
151.14766	3.8
163.03905	2.9
175.14816	100.0
176.15140	5.7
177.05515	2.9
193.15883	28.1
194.16335	3.6
201.05489	4.7
211.16962	28.1
219.10139	3.3
313.11661	5.8
317.14929	3.5
373.13828	13.6
373.18216	59.1
374.18704	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76563	0.4
53.03938	1.0
55.01862	0.6
55.05513	17.5
57.03417	1.1
57.07080	4.3
67.01859	1.5
67.05509	7.9
69.07072	25.0
69.79189	1.5
71.04969	0.4
71.08630	2.3
74.19617	0.4
79.05492	3.3
81.06584	0.8
81.07059	14.8
83.01328	0.4
83.05003	2.1
83.05408	0.4
83.08149	0.9
83.08623	13.6
85.02891	0.5
85.06507	0.4
85.10173	1.1
91.05457	2.9
93.06477	0.7
93.07044	9.5
95.04971	1.1
95.08607	18.0
96.08933	0.6
97.10177	8.6
105.07042	2.0
107.04967	0.5
107.08622	2.5
109.06516	3.1
109.09442	0.7
109.10152	8.9
111.04458	0.5
111.11713	5.4
117.07019	0.5
119.04934	0.5
119.08570	1.9
121.06517	2.9
121.10150	2.0
123.08083	2.3
123.11723	5.1
125.13263	1.1
131.08586	1.0
133.06473	1.2
133.10092	1.0
135.08073	2.5
135.11696	1.4
137.04965	0.8
137.05972	10.8
137.09648	0.5
137.13226	2.7
139.03908	1.0
139.07550	5.1
141.05472	0.9
143.08537	0.7
145.10112	0.8
147.08025	2.8
149.05969	5.0
149.09579	0.8
149.13271	1.4
151.07544	22.8
151.14813	1.2
152.07896	1.2
153.05437	1.0
157.10146	0.8
159.08044	1.7
159.11697	0.7
161.06015	3.1
161.09579	1.6
163.07549	1.2
163.11182	0.7
163.14813	1.2
165.05460	7.5
165.09126	7.6
166.09489	0.7
167.07040	100.0
168.07394	4.2
171.08031	0.4
173.09605	0.9
175.07552	5.1
175.11229	0.9
177.05583	0.7
177.09131	3.8
177.16428	0.8
178.06195	0.6
179.07074	3.8
179.10631	2.2
179.17905	0.5
181.08609	5.1
182.08867	0.5
187.07497	0.8
187.11157	0.6
188.08359	1.1
189.09082	5.7
189.12703	0.8
190.09378	0.6
191.07004	4.3
191.10664	1.9
192.07759	1.6
193.08600	9.1
193.12291	0.5
195.10187	1.6
201.09120	1.1
203.10678	4.4
205.08591	5.2
205.12186	2.0
206.09174	0.8
207.10153	9.3
207.21033	0.8
208.10594	0.6
215.10664	1.4
217.12177	1.9
219.10170	3.5
219.21098	0.8
221.11707	3.6
229.12289	0.6
231.13753	1.2
233.11761	1.5
233.22630	0.5
235.13280	1.9
245.15306	0.6
247.13280	1.3
249.14957	0.7
259.17035	0.5
263.16498	1.0
273.18460	0.5
277.18036	0.9
291.19449	1.1
327.26904	0.5
345.27826	1.0
355.26328	2.6
373.14545	1.7
373.27377	18.8
374.27872	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12801	2.3
53.03947	6.1
55.01871	2.5
55.05518	9.7
57.07075	6.7
59.04989	2.5
65.03949	2.9
67.05508	19.9
69.03452	5.1
69.07072	29.7
75.04502	2.6
78.64828	2.0
79.05495	13.5
79.10516	1.9
80.16667	2.1
81.03421	4.4
81.06580	5.0
81.07059	100.0
82.07410	2.6
83.04993	5.2
83.08638	7.7
84.54520	2.1
85.02920	3.6
85.06564	2.6
91.05503	9.4
91.80724	2.1
93.07043	24.0
95.04992	6.3
95.08611	43.1
97.06570	4.6
97.10178	3.9
99.04477	5.4
99.08138	2.7
101.06047	2.8
105.07024	19.7
106.04141	2.3
107.04987	3.5
107.08595	23.1
109.06519	10.3
109.10156	18.6
111.04443	2.0
111.08101	4.7
111.11707	3.8
117.07040	2.4
119.08546	12.7
121.06543	4.6
121.10151	17.3
123.08102	6.6
123.11719	14.3
124.05203	2.9
127.07572	5.4
131.08601	4.9
133.06525	4.1
133.10152	14.1
135.07982	2.3
135.11691	10.6
137.05997	3.4
137.13248	28.9
139.07579	5.4
143.08644	3.4
144.04456	3.8
145.10139	5.8
147.04327	2.6
147.08090	2.9
147.11691	24.2
149.09598	4.6
149.13303	11.1
151.03896	4.5
151.07559	5.0
151.11188	17.6
152.04665	5.1
155.14307	18.2
157.10167	2.5
159.11740	3.4
165.05653	2.1
165.09164	2.5
165.12804	13.0
165.16370	3.5
167.07101	13.2
171.06613	3.1
172.03961	6.9
175.07599	2.3
175.11131	10.7
177.12831	2.4
177.16466	2.0
181.05032	3.5
181.12296	3.8
185.06078	2.3
187.14662	3.1
189.12849	2.6
193.12245	24.4
195.06558	29.4
195.08163	3.0
203.17986	2.5
204.06459	12.1
205.19499	4.2
207.13800	3.8
209.15376	2.3
211.13271	3.1
219.06561	23.5
219.10040	3.6
229.14415	6.2
231.06564	6.7
246.08833	12.6
247.09506	2.5
257.08215	4.1
261.11185	7.5
263.20020	4.3
271.09811	4.2
281.08011	3.1
285.11472	2.5
285.14999	2.9
301.25342	4.9
313.10779	5.4
313.14206	4.8
319.26346	23.8
320.26743	2.5
323.12827	2.4
337.27341	13.2
341.14069	4.5
345.16989	7.8
356.26114	2.3
373.16422	24.0
373.20804	2.8
374.17050	5.1
374.22348	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	5.0
59.42116	2.5
69.03422	2.9
69.07085	3.2
71.49770	2.2
84.08156	3.5
85.02900	13.9
86.09707	61.5
86.10229	3.2
89.03902	16.1
92.80271	2.3
97.02882	2.9
117.03372	20.4
123.04449	6.2
127.03931	11.3
135.04411	14.5
137.05965	5.1
143.00127	3.1
145.02847	49.1
145.04941	3.5
147.04439	2.7
148.06093	4.3
149.05998	9.1
151.03914	6.0
161.01265	4.3
163.03909	50.8
164.04286	4.5
175.07553	3.4
177.05463	100.0
178.05801	4.2
194.08153	3.3
195.06516	44.9
196.06912	3.0
199.18031	15.5
212.09145	2.7
222.07588	11.5
227.17531	7.9
255.01778	3.5
261.14496	4.4
273.02859	4.6
295.09665	6.3
374.18481	12.6
375.16489	2.7
397.86798	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49578	0.7
53.03931	0.6
55.01891	0.7
56.21328	0.7
57.03425	0.7
59.37036	0.7
61.02910	2.2
69.03435	4.8
70.42560	1.3
70.42900	1.8
71.04994	0.8
73.02932	0.7
75.02487	0.7
76.03146	0.7
81.03416	2.1
85.02416	1.3
85.02904	15.3
89.03917	6.0
91.03961	1.6
91.05452	1.0
97.02888	5.6
99.04420	1.3
105.17676	0.7
109.02885	1.0
117.03384	17.5
127.03902	3.3
134.03621	1.6
135.04419	1.1
136.16026	0.9
137.23520	0.7
145.02850	44.8
145.04929	4.1
146.03145	1.5
149.05988	7.7
153.05478	0.9
158.98235	0.7
162.03081	0.9
163.03934	3.6
177.05472	100.0
178.05840	5.1
194.08151	1.1
195.06535	42.1
196.06903	2.0
245.92271	0.7
279.46359	0.8
334.09686	0.7
374.18677	29.4
375.19159	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32555	0.6
52.84821	0.5
53.17102	0.6
55.01868	0.7
57.03421	1.1
61.02910	1.1
67.60810	0.6
68.61085	0.7
69.03426	4.0
70.85847	1.2
74.10780	0.6
81.03410	1.4
81.72332	0.8
83.99870	0.6
85.02908	14.2
89.03915	4.9
91.03956	1.5
97.02918	4.7
106.32795	0.7
109.02853	1.4
117.03387	15.4
127.03910	2.7
128.14519	0.7
134.03641	2.0
135.04399	0.9
145.02858	40.1
145.04932	3.7
146.03215	1.7
149.05992	7.9
153.05498	0.7
162.03102	1.1
162.07564	0.7
163.03963	3.4
169.20079	0.6
177.05478	100.0
178.05826	3.8
180.08630	1.5
195.06546	41.9
196.06902	2.1
214.60965	0.7
222.51691	0.8
245.97136	0.7
285.20062	0.7
373.06384	0.7
374.18707	9.0
375.18942	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1448
Annotation	Prochlorperazine
Peak:m/z	Relative Intensity
52.58207	0.5
55.59310	0.5
67.97747	0.5
69.03423	1.0
70.06591	0.9
70.56087	1.0
84.04521	0.6
84.08154	0.8
85.02927	2.8
89.06039	1.2
91.05462	0.5
97.02897	1.0
102.05542	0.8
116.07088	0.8
119.04967	0.9
120.08134	0.7
127.03896	0.7
130.06538	100.0
131.06821	3.8
132.08083	2.7
137.32953	0.6
142.05553	0.5
142.13585	0.5
144.08119	1.2
145.02843	1.5
146.06004	0.7
147.04436	6.5
148.07599	6.5
154.06482	0.8
158.06017	9.0
163.03934	1.5
176.07077	21.0
177.05489	3.5
177.07335	0.9
187.02533	0.6
194.08141	25.6
195.06558	1.9
195.08443	1.1
195.12280	1.8
202.71507	0.6
212.09160	1.0
218.08281	0.6
290.10150	0.6
374.14966	1.6
375.11737	0.7
375.16174	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.3
57.03437	1.1
61.02920	2.3
68.63218	0.7
69.03436	3.7
70.47372	1.6
71.04987	1.0
73.02896	0.7
81.03425	1.5
85.02905	15.6
89.03907	5.5
91.03986	1.0
97.02894	4.4
99.04435	1.1
117.03385	17.7
125.06023	1.2
127.03931	2.5
134.03650	1.8
135.04410	2.1
145.02849	46.2
145.04973	3.4
146.03214	1.8
149.05974	6.8
153.05595	0.8
163.03918	2.1
177.05475	100.0
178.05864	4.2
180.08708	1.0
195.06538	47.2
196.06880	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10699	0.3
55.01879	0.3
57.03430	0.5
59.37581	0.2
61.02917	1.0
69.03434	1.7
69.97321	1.2
73.02930	0.5
77.72952	0.3
81.03406	0.6
85.02906	6.3
85.03409	0.2
91.03963	0.5
94.04178	0.8
97.02901	2.1
99.04441	0.6
107.50310	0.3
109.02867	0.5
122.03629	1.7
127.03901	1.0
137.05975	100.0
138.06310	3.2
145.04968	1.5
180.08618	0.6
195.10161	3.3
206.49471	0.3
220.07608	0.4
374.18588	0.6
388.98395	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87642	9.8
69.88033	10.0
70.06530	3.8
75.71983	4.9
78.79198	4.0
80.81786	4.7
84.08148	5.9
89.63807	4.4
91.32773	3.5
110.95562	4.2
112.70882	4.2
125.20248	4.2
130.07321	3.9
146.52872	4.1
150.00554	4.2
165.25624	4.0
198.25084	5.0
214.04742	10.4
254.86151	5.7
254.97528	4.7
291.69073	4.2
375.02634	8.5
375.06229	22.6
375.10757	40.9
376.10089	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46349	8.2
70.30624	23.6
70.30961	9.3
89.00883	10.4
96.62583	11.1
101.00852	52.8
115.02452	18.3
119.01907	100.0
121.02875	11.2
124.40970	9.2
126.98773	11.6
127.02509	9.3
131.01915	19.4
133.03503	30.1
137.02934	14.7
143.01947	15.4
144.99828	38.8
149.03018	17.9
159.01494	18.7
161.02962	22.8
168.99825	30.1
171.01422	14.0
172.99329	13.0
173.02977	20.2
175.00803	10.0
177.02501	23.0
187.00856	60.5
189.02460	21.6
199.01033	11.4
199.02757	14.7
205.01949	18.6
209.02972	9.5
215.00386	34.9
217.01942	29.5
219.01936	14.8
223.02913	15.7
229.01965	18.6
242.99809	12.8
245.01505	11.7
245.05000	14.1
247.03030	46.9
265.03998	11.5
273.00912	21.3
275.06238	15.5
315.01846	30.9
343.01538	13.1
361.02664	18.3
375.06821	79.3
376.10513	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.126
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02901	0.8
63.58870	0.7
69.03428	1.1
70.42261	1.9
81.03460	0.5
82.47880	0.6
85.02895	5.1
97.02888	1.0
105.03377	1.1
117.03430	0.6
118.03722	0.6
127.01305	0.7
127.03964	0.7
137.05977	18.4
145.02817	0.8
145.04941	1.5
146.03186	1.1
151.03925	0.7
151.07297	2.2
162.10912	0.6
165.01845	0.9
167.06787	0.7
173.01782	1.0
177.05504	2.3
178.05786	3.4
179.07036	4.5
185.04179	2.4
195.06490	1.5
196.06815	2.0
213.07326	100.0
214.07629	4.1
231.53467	0.6
375.12585	9.0
375.19226	4.0
376.12683	0.9
394.73877	0.6
396.46417	0.5
397.15326	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1286
Annotation	[2aR-(2aalpha,3beta,4alpha,7balpha)]-3-(beta-D-Gucopyranosyloxy)-2a,3,4,4a,5,7b-hexahydro-4a-hydroxy-4-methyl-1H-2,6-dioxacyclopent[cd]inden-1-one
Peak:m/z	Relative Intensity
50.23244	2.2
53.03928	2.8
55.01875	5.2
57.03445	2.5
58.93922	2.5
61.02949	2.8
69.03430	9.5
69.64064	9.9
70.06591	3.2
73.02923	33.8
79.05491	3.8
81.03407	8.1
81.56381	2.7
84.04504	3.3
85.02916	35.8
86.09718	3.8
87.61556	2.6
97.02889	4.5
98.17468	2.4
107.04956	3.1
109.02885	8.6
111.04413	2.8
123.04471	2.7
126.03136	3.6
126.26289	2.5
127.03889	14.5
137.05994	10.7
139.03893	4.7
141.05469	34.3
157.04980	9.5
163.07561	3.1
165.05470	3.3
167.03407	100.0
167.07028	5.3
168.03598	3.0
177.05470	4.0
177.09178	3.1
178.05849	4.3
191.07056	4.8
195.06549	32.2
196.06934	3.3
203.07124	3.4
208.09650	4.3
213.07564	86.9
214.07982	7.2
243.11502	2.3
375.12161	5.1
375.16431	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1438
Annotation	Vladinol D
Peak:m/z	Relative Intensity
53.03953	1.8
55.01867	1.6
65.03928	2.7
67.05499	2.9
68.78062	0.8
69.03433	1.1
69.07066	1.9
71.30092	1.2
79.05477	2.0
81.03418	46.0
81.07042	3.1
85.02908	1.4
91.05475	8.2
93.03375	1.1
93.07049	2.0
94.04192	1.1
95.04981	1.7
95.08585	1.7
103.05477	2.2
105.07036	2.6
105.07695	0.9
105.31839	0.9
107.04941	2.0
107.08607	1.6
108.02089	2.2
109.06522	2.3
111.04433	1.1
115.05465	2.9
117.07056	1.4
119.04932	4.6
119.08572	2.1
121.06480	1.2
122.03645	4.3
123.04474	1.0
125.05983	2.8
127.03876	0.9
128.06218	3.0
129.07004	9.9
131.04919	3.1
133.06491	2.4
135.04420	1.5
135.08104	1.7
137.05977	62.2
138.06296	1.4
141.05441	2.8
143.04935	6.1
145.06485	2.6
147.04384	2.7
147.08025	2.5
149.05939	1.4
151.03911	100.0
151.05006	10.0
151.07550	3.6
152.04225	2.9
153.05467	3.1
157.06502	8.6
160.05141	1.8
161.05989	2.9
161.09576	1.0
163.03862	0.8
163.07567	2.5
165.05510	3.0
167.07018	1.9
171.04434	4.8
173.05911	1.1
175.07561	7.1
176.57310	0.9
177.05595	1.2
177.09105	1.6
178.06322	1.1
179.07057	2.3
187.07553	3.0
188.04700	1.2
189.05547	1.2
189.07634	1.1
189.09100	7.5
191.07021	5.4
193.08664	1.7
203.07034	28.4
204.07629	1.3
205.08604	18.2
213.18530	1.2
215.07043	2.2
219.07959	1.6
221.06102	1.0
221.08051	1.6
233.08101	5.9
235.07515	1.4
243.06532	6.0
244.06891	0.9
247.07481	1.2
249.83929	0.8
261.09045	2.0
263.07001	1.5
270.05167	1.7
271.06033	5.9
277.08746	1.1
278.09241	1.4
279.10077	2.8
285.07492	3.3
286.08334	21.3
287.08643	1.5
295.09683	1.8
297.11105	1.4
307.09604	2.7
309.11176	1.1
312.09814	1.7
313.10873	1.3
321.11090	4.0
327.12228	6.7
339.12347	4.5
357.13297	14.0
357.17255	1.4
375.14252	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1437
Annotation	Annulin C
Peak:m/z	Relative Intensity
53.16249	1.6
55.01875	13.1
59.34374	1.6
62.94296	1.6
65.60844	1.6
67.55109	1.6
70.43037	5.3
73.02918	92.3
79.05502	3.3
79.31691	1.6
91.05499	5.5
94.04163	3.1
95.04972	1.7
97.25124	1.5
99.83907	1.5
103.05495	6.3
105.07019	8.4
105.64602	1.5
107.04974	2.6
109.06586	2.6
115.05451	2.9
116.90535	1.7
117.06994	1.8
118.04201	2.4
121.06523	5.4
122.03638	6.1
123.04451	3.4
131.04927	8.0
133.06491	5.4
137.05975	100.0
138.06306	2.3
141.07063	1.8
143.04901	2.1
144.86385	1.9
145.06480	2.5
146.03633	6.2
147.04341	2.6
149.05968	18.2
151.03960	8.4
151.07552	12.3
152.06219	6.0
153.06999	8.3
159.04399	2.8
159.08095	2.5
161.05978	75.2
163.07587	10.6
165.05652	2.6
165.06979	15.0
166.07837	2.1
167.07042	13.2
169.06560	4.4
175.07524	3.1
177.05534	4.1
177.09158	12.7
179.07040	2.8
179.08487	2.9
180.05762	5.8
181.06438	11.4
182.07268	5.8
183.08130	2.1
189.05417	5.3
191.05107	2.2
191.07051	11.7
193.06514	9.3
193.08644	6.7
194.07158	7.8
195.08031	9.5
195.09816	1.5
196.05246	3.3
197.05988	12.3
197.09647	3.9
200.75484	1.6
203.10561	1.8
205.04877	2.3
205.06596	3.1
205.08551	4.1
207.08138	2.4
208.05159	14.2
209.06021	9.5
209.08136	7.5
210.06773	19.6
211.07539	12.9
212.08302	5.1
213.05383	1.8
213.09108	10.6
219.04375	3.4
219.08008	2.8
221.05977	15.1
222.06680	11.5
223.07530	7.3
224.08321	5.9
225.05501	10.1
225.09088	22.8
226.06100	3.5
227.07089	1.8
228.07909	2.2
233.08168	7.2
234.06772	1.8
235.07616	3.8
236.04688	8.8
237.05475	3.6
237.09175	3.1
238.06262	8.7
239.06960	6.0
240.07741	13.8
241.08578	11.8
242.09370	2.5
247.07599	2.2
250.06126	1.9
251.07033	10.7
252.07761	6.7
253.04918	4.4
253.08586	97.9
254.09038	9.9
255.06424	3.0
255.10284	3.6
258.06360	1.9
258.08795	9.5
261.08844	1.7
264.07700	2.2
265.08594	4.8
267.06506	2.9
267.10196	3.4
268.07343	12.0
269.08087	5.7
270.08856	38.7
270.11511	2.7
272.06897	1.9
273.11209	42.8
274.11536	3.0
277.08600	2.2
279.06561	7.2
279.09915	2.8
283.09677	8.5
284.10355	5.6
285.11197	57.8
286.11627	4.7
287.09399	3.3
295.09790	7.9
297.11261	5.0
299.09082	21.9
300.06088	2.0
311.09161	41.0
311.12698	3.7
312.09555	3.5
315.08588	21.5
325.10696	29.5
325.14487	2.0
326.10989	3.0
327.12344	5.5
329.10162	1.8
339.12192	13.3
345.13275	21.9
357.13315	66.1
358.13632	6.4
375.14346	30.6
375.18585	2.8
376.14880	2.6
394.20398	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1437
Annotation	5,7,2',3',4'-Pentamethoxyflavanone
Peak:m/z	Relative Intensity
53.03946	1.7
53.23348	0.9
55.01872	3.0
65.03949	3.7
67.05511	2.8
67.07428	1.2
69.37562	5.1
69.37968	1.6
70.49439	1.2
73.02919	17.6
73.52989	1.0
79.05502	6.5
81.07068	1.2
91.05485	22.9
93.03391	2.0
93.07058	1.9
94.04196	3.9
95.04991	2.9
103.05484	3.4
105.03400	5.3
105.07052	1.8
107.04947	8.7
108.02107	2.9
109.06549	2.0
111.04437	3.1
111.05135	1.1
117.03418	1.6
119.04943	24.2
121.06528	4.7
122.03652	21.9
123.04450	2.5
125.06037	3.9
131.04904	4.8
133.02866	10.0
135.04425	6.0
136.05215	3.9
137.05978	97.0
138.06323	3.6
141.05540	2.3
149.05975	12.8
150.03128	24.2
150.04333	1.2
151.03918	100.0
151.05019	11.6
151.07538	29.8
152.04225	2.2
153.05478	5.4
153.06882	1.9
161.05978	10.6
163.03926	3.3
163.07486	2.6
165.05486	88.5
166.05853	3.8
167.07086	1.6
169.25728	1.1
175.07570	3.9
177.05495	3.7
178.06204	1.1
179.07008	1.1
180.05817	1.2
181.05070	1.3
181.06906	2.0
181.08594	23.8
191.06956	1.9
193.08633	3.8
194.07343	1.5
195.06532	89.4
196.05272	1.8
196.06931	3.4
203.07130	3.5
208.05180	2.3
209.05940	1.2
209.08043	1.8
210.06798	2.9
210.72279	1.0
211.07472	1.5
221.06059	2.2
222.06805	2.1
223.07730	1.5
225.05481	1.4
225.09111	3.3
236.08388	1.3
239.07069	1.4
240.07738	1.9
251.07153	1.9
253.04877	1.5
253.05901	1.5
253.08571	13.8
254.08926	1.6
255.10342	1.0
268.07312	1.4
270.08658	5.1
273.11319	4.5
279.06747	1.2
283.09714	2.1
285.11188	7.7
295.09641	2.1
299.09174	3.6
311.09186	6.3
315.08463	2.6
325.10785	4.5
339.12119	2.2
345.13361	3.6
352.16272	1.1
357.13275	10.2
375.14420	3.3
375.19843	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.18
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77456	1.1
53.03949	2.4
54.59724	1.0
55.01871	4.6
55.05513	3.7
57.07082	1.9
59.04969	1.2
59.58672	0.9
61.12872	0.9
65.03944	5.8
67.05505	47.6
68.05827	1.4
69.03424	11.3
69.07065	4.3
69.17344	7.9
71.01356	1.4
71.04991	4.3
76.47600	1.0
76.80872	1.1
79.05491	13.7
81.07054	31.0
82.07361	1.5
83.05000	3.0
87.00833	1.7
91.05473	19.1
93.07046	13.0
95.04967	49.2
95.08604	9.4
96.05304	1.5
97.06523	6.8
103.05437	1.6
103.54132	1.1
105.03391	2.7
105.07026	22.6
107.04952	6.3
107.08595	11.9
109.06520	24.3
109.10201	1.2
111.08099	3.9
111.65906	1.0
115.05474	3.9
116.06187	1.1
117.07032	10.2
119.04929	3.1
119.08577	12.4
121.06512	12.5
121.10151	3.2
123.08055	6.6
128.06175	5.8
129.07007	15.4
130.07790	1.7
131.04953	2.2
131.08565	29.0
133.06517	4.9
133.10158	9.9
135.08058	6.9
137.06001	2.7
139.07567	4.7
141.06990	8.2
142.07800	6.1
143.08565	18.5
145.06459	6.4
145.10114	13.4
146.10611	1.3
147.08038	10.3
147.11725	3.4
149.05978	1.6
149.09628	3.4
151.07584	1.4
153.06987	3.1
154.07765	2.8
155.07162	2.8
155.08548	39.3
155.09834	2.2
156.09189	3.8
157.06516	6.2
157.10110	18.0
158.10539	1.5
159.08063	17.6
159.11713	3.1
160.08731	1.5
161.06017	2.3
161.09602	10.1
163.07571	2.0
165.06989	7.1
166.07823	5.0
167.07108	2.3
167.08566	7.9
168.09352	5.3
169.06479	1.8
169.08716	2.2
169.10112	12.0
170.10666	1.8
171.08069	6.8
171.11653	7.5
173.05986	1.6
173.09637	10.4
175.07584	3.4
175.11192	5.8
177.09160	2.0
178.07751	3.3
179.08543	7.5
180.09346	3.9
181.06468	2.0
181.10110	17.3
182.10774	1.7
183.08057	5.5
183.11690	12.7
185.09601	6.2
185.13274	2.9
187.07593	3.5
187.11200	4.5
189.09126	3.1
189.12712	2.5
191.08644	2.3
191.10696	3.1
192.09364	3.0
193.10146	9.9
194.10905	4.0
195.08055	4.1
195.11667	9.3
196.08871	1.5
197.09619	4.8
197.13245	6.0
199.07542	2.4
199.11174	15.4
199.14838	3.9
201.09119	3.9
201.12794	3.1
203.08612	2.6
203.10555	2.0
205.10196	3.3
207.11662	7.1
208.12411	2.7
209.09694	5.7
209.13210	6.7
211.11255	6.0
212.11821	1.4
213.09109	3.1
213.12668	6.3
213.16304	7.5
215.10713	3.3
215.14301	2.1
217.10291	1.2
217.12189	2.3
218.10922	3.3
219.11768	1.9
221.09578	3.3
221.13399	1.5
223.11185	3.2
223.14777	11.4
225.09219	1.7
225.12740	6.2
225.16357	1.9
226.13470	1.3
227.10655	3.8
227.14304	3.7
231.11742	2.2
232.12410	1.2
233.13385	6.1
235.11150	2.0
236.11844	2.0
237.12830	5.1
237.16345	1.6
239.10718	2.3
241.12250	2.4
241.15863	32.4
242.16367	2.8
243.13727	7.9
243.17590	1.5
251.14316	11.4
252.14622	2.1
253.12314	3.6
253.16035	1.3
255.10162	2.1
255.13873	5.4
257.19046	1.4
259.16913	7.0
261.12750	2.6
263.14252	2.4
265.15982	1.6
267.17310	1.2
269.15341	34.1
270.15753	4.4
271.13300	2.2
279.13760	4.3
283.16907	8.8
285.18469	2.9
287.16562	5.7
293.15366	4.2
295.16974	2.0
297.14859	22.7
298.15213	1.9
301.14368	6.4
301.18021	9.1
311.16391	4.4
313.17947	1.8
315.15878	100.0
316.16251	8.2
321.14740	1.2
322.47238	1.1
329.17380	14.4
330.17761	1.5
339.15979	5.0
357.17032	7.7
375.18402	23.4
376.19449	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1802
Annotation	Antibiotic DT 136A
Peak:m/z	Relative Intensity
52.54718	0.8
53.03941	1.7
55.01867	4.4
55.05507	3.8
57.07077	1.2
65.03931	4.7
67.05504	39.0
68.16112	0.7
69.03426	5.0
69.07064	4.4
71.04986	2.3
73.02962	0.8
79.05499	10.6
81.07057	24.7
83.04982	4.0
91.05476	20.5
91.06008	1.7
93.07043	11.9
95.04965	44.7
95.08608	8.5
96.05289	1.5
97.06508	5.5
99.29970	0.8
103.05470	1.6
105.03413	1.5
105.07025	23.3
106.07397	1.1
107.04943	5.8
107.08598	10.0
109.02895	1.1
109.06512	23.9
111.04446	1.1
111.08064	2.8
113.56281	0.8
115.05484	2.5
116.06236	1.3
117.07021	8.8
119.04936	3.5
119.08580	11.0
121.06496	11.3
121.10136	3.1
123.08047	5.3
125.05972	1.2
128.06209	4.5
129.06999	13.4
130.07761	1.5
131.04959	2.0
131.08568	24.6
133.06485	5.6
133.10141	8.9
135.08057	5.7
137.05984	3.6
139.07541	1.6
141.06989	8.5
142.07794	5.3
143.08556	20.8
144.05739	1.3
144.08969	1.2
145.06502	4.9
145.07477	0.8
145.10112	17.6
147.08038	9.2
147.11670	2.6
149.05956	2.1
149.09633	3.3
151.03958	1.0
153.05482	1.3
153.06984	2.8
154.07776	2.6
155.07164	2.0
155.08539	40.5
156.09050	3.5
157.06532	5.6
157.10115	16.5
158.10580	1.2
159.08051	15.6
159.11693	3.8
161.05936	3.3
161.09596	7.6
163.07547	2.0
163.11086	1.0
165.05736	0.9
165.06897	4.7
165.09137	1.5
166.07751	4.7
167.07053	2.4
167.08557	6.9
168.09250	2.4
169.06430	1.2
169.10126	14.7
170.10689	1.2
171.08072	5.5
171.11705	7.7
172.08470	1.1
172.12016	0.9
173.06070	1.0
173.09615	11.9
173.13239	1.4
174.10298	0.9
175.07555	3.5
175.11172	5.0
177.09114	1.9
178.07750	1.4
179.07156	1.1
179.08527	5.3
180.09322	2.4
181.06509	1.8
181.08614	1.8
181.10109	17.3
181.11702	1.0
182.07146	0.9
182.10815	1.8
183.08035	3.0
183.11671	13.1
184.08923	1.0
185.09631	8.2
185.13240	3.6
187.07532	2.5
187.11191	5.5
187.14706	1.2
188.11818	1.0
189.09100	2.9
189.12717	1.9
191.08478	1.7
191.10699	2.9
192.09331	2.9
193.08513	1.3
193.10120	8.7
194.10785	3.3
195.08043	3.8
195.11700	7.8
196.08853	1.4
197.09639	5.5
197.13258	7.1
199.07591	1.6
199.11198	14.8
199.14894	3.9
201.09096	3.7
201.12744	2.8
203.08669	1.6
203.10663	1.9
204.09315	0.9
205.10149	1.4
206.10921	0.9
207.11749	7.3
208.08772	0.9
208.12442	3.3
209.09566	4.4
209.13226	4.8
211.07532	1.1
211.11180	5.3
213.09143	4.2
213.12767	6.8
213.16370	7.0
215.10634	3.7
217.10266	1.3
217.12218	2.4
218.10863	3.6
219.10013	1.2
221.09575	1.3
221.13307	1.9
222.10324	1.4
223.11162	2.7
223.14807	11.3
224.15201	1.4
225.09151	0.9
225.12654	4.5
225.16359	1.8
226.13144	1.1
227.10654	3.6
227.14229	6.2
229.12202	1.6
233.09718	1.0
233.13446	6.7
235.11238	2.1
237.12785	3.6
237.16301	1.8
239.10703	1.4
239.14302	1.3
241.12300	1.7
241.15845	26.7
242.16376	2.1
243.13759	5.9
243.17482	1.5
251.11140	0.7
251.11555	1.0
251.14308	10.3
252.14783	1.5
253.12215	3.1
253.15898	1.6
255.10229	1.6
255.13763	5.5
259.16928	5.5
265.15884	2.1
269.15353	33.2
270.15753	2.2
271.13266	1.6
275.14114	1.7
279.13843	4.7
283.16815	7.2
285.15253	1.1
285.18393	2.5
287.16467	5.3
293.15274	4.1
295.16946	1.5
297.11554	1.0
297.14835	23.4
298.15326	1.0
299.12677	1.0
301.14297	3.2
301.17950	10.4
311.16400	5.7
313.17850	2.7
315.15878	100.0
316.16266	9.0
321.15030	1.1
329.17413	11.2
333.16974	1.8
339.15842	4.8
357.16977	10.2
358.17496	1.0
375.17880	16.2
375.21878	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1802
Annotation	CHEBI:68167
Peak:m/z	Relative Intensity
55.01841	1.2
55.05505	1.1
67.05479	1.0
69.07073	3.9
69.29255	2.2
69.29661	5.7
78.04711	2.7
79.05495	6.0
81.07079	1.8
83.05010	1.2
87.04495	1.2
91.05478	2.3
93.07061	2.2
95.04962	2.0
101.22118	1.1
102.89123	1.0
105.07047	1.8
107.04977	3.0
109.06552	1.4
110.03689	3.1
111.08125	1.1
117.06944	1.5
119.08563	1.5
121.06507	1.5
122.03627	1.2
123.04414	5.6
124.05213	3.2
125.06007	1.8
129.07042	2.6
131.08594	1.6
135.08054	1.5
137.05962	3.0
138.03128	4.4
139.07510	9.1
143.08568	4.4
146.07269	1.0
152.04698	3.4
153.05469	50.8
154.06216	2.1
155.07101	1.2
157.06537	2.3
159.08104	1.7
161.05988	1.5
161.09639	3.1
165.06996	2.2
167.07047	91.5
168.07544	5.6
171.08125	2.2
175.07576	1.7
175.11189	2.5
180.09309	1.3
181.06532	2.3
181.10167	1.7
183.11670	1.3
184.05258	2.0
185.06029	3.6
189.09146	4.3
193.08499	1.1
193.10199	1.3
194.10948	1.1
195.08191	1.6
195.10046	1.2
195.11729	1.9
196.08894	1.5
197.09645	1.6
199.07588	4.1
203.10692	3.6
204.09471	1.1
207.08263	2.0
207.10204	5.1
207.11870	1.9
208.08882	2.9
209.05942	1.6
209.09645	2.6
209.13254	1.3
211.07581	2.2
211.11188	2.2
212.04668	2.0
213.05463	6.4
213.09177	4.5
214.06107	1.6
215.06880	1.4
219.11761	2.0
221.09743	1.1
221.11671	17.1
223.07619	3.0
223.11214	4.8
225.09198	3.1
226.06201	2.3
227.07025	9.6
227.10571	1.2
227.14183	1.3
229.05029	1.3
230.05679	2.6
231.06551	2.2
233.09599	3.3
235.07626	2.6
235.11101	2.5
235.13243	20.1
237.09125	2.6
237.12660	2.7
239.06898	1.4
239.10715	3.2
240.07928	1.4
241.05034	4.3
241.08571	6.2
243.06560	4.6
243.10226	2.5
244.07268	2.6
245.08015	3.1
250.09834	2.4
251.10628	5.3
251.14128	1.1
253.08583	3.8
254.05727	2.2
255.06465	7.2
255.10242	2.7
258.05283	2.0
259.05942	1.2
259.09790	1.5
264.11169	1.6
265.12161	7.2
267.10229	3.9
268.11005	2.7
269.08176	4.6
269.11584	2.4
272.06863	1.6
273.07681	6.0
274.08200	2.5
278.09387	1.9
279.10373	2.9
279.13751	3.5
281.08026	1.3
282.09637	1.7
282.12436	8.1
283.13150	6.1
285.11209	1.5
293.11740	2.8
295.09723	2.2
296.10480	2.5
297.14856	14.2
298.15424	1.8
310.12054	3.2
311.12747	8.3
314.15140	2.3
315.15924	7.3
325.14325	33.2
326.14789	4.0
343.15390	100.0
344.15768	9.4
375.18094	53.5
375.23209	6.8
376.18353	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1801
Annotation	CHEBI:68167
Peak:m/z	Relative Intensity
53.03946	0.6
55.01866	0.7
55.05492	1.1
65.03905	0.6
67.05495	1.0
69.07059	1.2
71.31100	1.0
77.03913	0.8
78.04706	2.3
79.05482	1.7
81.03408	1.0
81.07065	1.6
83.05000	0.9
91.05466	1.2
93.07024	1.2
95.04986	1.7
95.08552	0.8
105.07011	1.9
106.04181	1.3
107.04923	1.9
109.06470	0.7
110.03660	4.6
117.07001	0.7
119.08527	1.3
121.06524	0.9
123.04443	7.9
124.05212	2.4
128.06219	1.6
129.07021	3.0
131.08578	0.7
133.06491	1.8
133.10081	0.9
135.08043	1.2
137.06017	1.0
138.03125	9.2
139.03531	0.6
139.07495	0.6
142.07767	0.7
143.08575	9.1
145.06442	1.0
145.10088	1.1
147.04430	1.7
147.08037	1.7
151.03911	1.8
152.04686	2.8
153.05466	100.0
154.05807	3.1
157.06552	3.7
157.10106	0.7
159.08041	1.0
160.08888	1.2
161.05989	0.9
161.09615	5.1
167.07042	85.5
168.07365	2.9
171.08029	7.2
174.06801	2.4
175.07542	5.2
175.11221	3.3
179.07010	0.8
181.08620	1.3
188.08305	1.8
189.09084	11.0
192.07710	0.7
193.08585	0.9
195.10172	1.0
203.10660	4.3
207.10159	20.0
207.11642	0.9
208.10521	1.4
219.11690	1.1
221.11728	58.0
222.12122	3.2
233.13156	0.7
235.13292	29.2
236.13605	0.9
247.14865	0.8
261.16495	0.8
347.16064	0.6
375.14243	0.8
375.18784	0.8
375.23178	3.5
387.62924	0.6
391.19946	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92866	1.6
67.05500	1.6
69.07060	10.4
69.40434	1.1
69.40734	10.6
69.51078	1.5
79.05480	3.3
81.07043	2.0
91.05479	3.1
93.07032	1.7
93.82355	1.5
105.06953	1.7
111.04390	2.7
116.30054	1.4
119.08552	2.0
125.58756	1.5
131.08636	1.6
137.05962	2.3
153.05464	5.4
165.06932	1.7
167.07097	2.4
171.08031	1.7
177.13147	1.7
182.59650	1.8
183.04419	1.8
184.05225	6.8
187.07545	2.3
193.09966	1.8
196.05267	2.1
197.05989	5.9
197.09630	2.1
198.06723	7.6
199.07561	16.3
200.04691	3.6
201.05489	4.5
203.18352	1.5
211.03967	2.1
211.07512	3.8
212.04684	3.1
212.08226	2.6
213.05493	5.7
213.09264	2.8
214.06172	4.6
215.07050	5.4
217.08656	1.7
221.07155	2.1
223.07532	1.7
224.04678	6.3
225.09117	4.9
226.06232	28.2
226.09767	1.8
227.03392	4.8
227.07018	26.9
228.04175	1.8
228.07777	8.1
229.04941	13.3
230.05699	2.4
236.08185	2.3
239.06934	3.5
240.07849	3.3
241.04947	2.6
241.08626	5.8
242.05733	16.7
243.06581	17.6
244.07367	12.0
245.04442	19.1
245.08031	1.9
247.09561	3.2
250.09731	1.5
251.06714	1.9
251.10580	2.2
252.04115	1.8
253.04980	4.2
253.08682	5.9
254.05809	11.7
254.09319	1.7
255.06532	13.5
255.10046	3.4
256.07361	6.6
257.04495	7.1
257.08090	6.9
258.08777	3.8
259.06036	4.4
259.09650	11.2
260.10187	1.9
261.07364	2.0
264.07663	2.4
267.06589	5.2
267.10245	2.2
268.07184	3.0
268.10889	3.0
269.08090	3.7
270.05362	7.9
270.08496	1.8
271.06213	9.0
271.09378	8.2
272.06812	32.0
273.04352	11.0
273.07355	13.5
274.04749	2.0
275.09195	1.8
279.10071	4.3
281.08191	4.0
282.08844	4.4
283.09647	4.6
283.13309	7.8
284.06821	2.0
284.10037	1.7
285.07611	3.5
285.11179	1.9
286.08307	6.1
286.12042	4.4
287.09140	100.0
288.06305	36.6
288.09796	21.8
289.06937	5.0
291.08771	3.8
292.09344	3.8
296.10535	2.1
297.11224	3.3
299.09128	15.8
300.09933	3.0
300.13382	2.5
301.10641	13.0
302.11423	2.0
303.08618	78.4
304.09076	8.8
306.10895	5.2
307.11792	12.0
310.11932	2.4
311.12726	18.1
312.13443	4.3
313.10532	4.9
314.11441	11.6
315.12332	3.7
315.15897	8.4
319.11795	19.0
320.11874	2.3
325.14505	3.2
328.13007	5.4
329.13791	4.1
331.11804	2.6
343.11252	3.2
343.15421	61.5
344.16052	24.3
345.13165	2.1
345.16974	2.9
360.11157	3.3
360.15659	75.4
361.15985	7.0
375.18008	95.4
376.18353	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01865	2.2
55.05513	20.2
55.91592	0.9
63.32196	1.0
65.03941	1.1
67.05505	4.2
69.03421	3.8
69.07068	2.7
70.46251	2.3
70.46646	1.4
71.05003	2.2
79.05488	3.6
79.09533	0.9
81.03399	1.4
81.07057	6.1
83.04981	100.0
84.05313	3.1
85.06544	1.8
91.05474	4.8
93.07031	6.6
95.04942	6.7
95.08582	4.5
97.02926	1.6
99.04456	5.2
103.05495	1.1
105.07015	6.3
107.04899	1.0
107.08635	6.0
107.36168	1.0
109.02864	1.4
109.06515	2.6
109.10145	2.7
111.04444	62.0
112.04750	2.3
115.05397	1.0
117.07014	1.8
119.08569	3.9
121.06487	5.6
121.10149	3.0
123.04428	3.5
123.08083	2.0
123.11666	1.2
125.09653	1.0
128.06248	1.2
129.07007	1.8
131.04945	1.3
131.08549	3.1
133.06473	3.4
133.10109	3.9
135.04459	1.3
135.08060	10.5
135.11646	1.6
137.05994	9.2
137.09599	1.6
142.07834	1.2
143.08578	2.3
145.06476	1.5
145.10121	3.6
147.08087	2.4
147.11685	1.8
149.05963	2.1
149.09616	1.6
151.03886	2.0
151.07579	2.8
153.05469	2.4
155.08569	2.0
157.10110	3.2
159.08018	2.7
159.11682	3.2
160.08780	1.3
161.05966	3.2
161.09648	2.2
161.13284	1.7
163.07584	5.1
165.07016	1.0
165.09102	1.8
167.07060	3.4
167.08438	1.1
169.10129	1.0
171.07918	1.5
171.11696	2.2
172.08858	1.8
173.09618	2.7
173.13246	3.7
175.07497	1.0
175.11230	1.4
177.09116	1.5
179.07085	1.2
179.10651	2.3
181.10236	1.0
183.11708	1.9
185.09596	3.3
186.10448	1.1
187.11174	6.6
189.12708	1.8
191.06996	1.1
192.91638	1.1
193.08620	1.5
196.08865	1.3
198.82347	1.1
199.11180	1.7
201.12662	5.4
203.10608	2.4
205.12283	6.8
211.07390	1.1
211.11176	1.5
213.09070	2.2
213.12744	1.3
217.12196	3.0
219.13858	2.5
227.10719	3.9
229.12227	6.0
241.12201	1.6
245.11635	1.7
247.13226	4.2
255.10080	2.2
279.13727	1.8
293.15396	1.4
297.14859	3.6
303.23154	2.7
311.16394	4.0
315.15753	1.5
321.14801	2.3
329.17450	1.4
339.15988	3.9
357.17072	2.6
375.19073	13.6
376.18973	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.05503	0.8
57.07079	0.3
59.05023	0.3
65.03935	0.8
66.04708	0.5
67.05480	0.5
69.07608	1.1
69.08013	0.6
77.03922	0.3
78.04695	1.4
79.05496	1.8
80.06265	0.8
81.07039	0.7
83.08616	0.5
86.32123	0.2
90.04720	0.2
91.05479	4.8
93.07034	1.5
94.04206	0.2
95.04967	0.9
103.05449	1.0
104.28873	0.2
105.03400	0.6
105.07040	1.8
106.04181	1.6
107.04953	7.6
107.08576	0.2
108.05753	2.5
109.06535	0.7
111.04458	0.3
115.05483	0.4
117.07005	1.0
119.04964	0.3
119.06036	0.4
119.08601	0.7
121.06496	3.2
122.03643	0.5
123.04449	3.0
123.08068	0.8
124.05228	2.5
125.06010	0.2
125.73804	0.2
130.07785	0.7
131.04939	0.6
131.08632	0.3
133.06509	0.8
134.03633	0.9
134.07275	0.4
135.04437	2.4
135.08072	2.5
136.05194	12.4
137.06000	4.8
138.06763	0.5
139.07555	1.5
140.04683	0.6
145.06474	0.7
145.10127	3.8
147.08041	0.7
148.05205	0.9
149.05981	0.5
149.09599	0.3
150.06793	0.9
151.07538	100.0
152.04681	2.4
152.07875	3.1
153.05420	0.5
154.06201	0.4
155.07062	0.7
155.08493	0.2
158.07289	0.6
161.05983	1.0
161.07198	0.2
162.06720	0.3
163.07539	7.9
164.08206	0.6
165.09123	2.8
166.06151	0.4
166.96484	0.2
167.07039	38.3
168.07413	1.5
173.09595	2.9
175.07510	1.0
175.11176	0.7
176.08334	2.3
177.09073	0.7
177.12761	3.2
179.10680	1.8
180.07895	0.3
181.08572	1.3
187.11131	0.3
189.12740	0.3
190.09909	0.9
190.13594	0.3
191.10561	0.3
195.10220	0.9
202.72495	0.2
205.12244	20.4
206.12660	1.2
207.13721	0.3
213.09238	0.2
221.15349	15.7
222.15732	0.9
227.07106	0.5
237.14851	16.5
238.15195	0.8
241.08636	0.8
242.09341	1.0
251.16327	0.3
260.45767	0.2
273.11246	0.7
276.87643	0.3
286.07535	0.2
301.06467	0.3
301.09573	0.5
311.16583	0.3
329.09198	0.5
343.18906	0.4
344.11383	1.3
345.08823	0.4
360.10941	0.4
373.18109	0.2
375.13736	1.2
375.21628	5.2
376.21887	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.01871	1.7
55.05510	15.2
57.03444	1.3
57.07074	27.9
62.82599	0.5
65.03948	2.0
67.05499	16.3
67.68548	0.5
69.03431	3.4
69.07059	3.5
71.05000	1.2
71.20562	0.7
79.05482	7.2
79.34099	0.5
80.12516	0.5
81.03452	0.5
81.07054	7.7
83.04975	46.7
83.08622	1.4
84.05325	0.7
85.06539	0.8
87.04464	1.0
91.05475	26.4
92.05796	0.5
93.07040	26.8
93.99054	0.5
95.04971	7.0
95.08601	34.3
96.08934	0.5
97.02908	1.3
97.06548	2.0
99.04476	1.8
103.05474	2.1
105.04541	1.2
105.07022	15.2
107.08582	9.3
109.02839	0.5
109.06539	3.4
109.10165	4.4
111.04438	22.7
111.05180	1.1
111.08070	13.3
112.08419	0.7
113.06016	3.7
115.05457	4.4
116.06241	4.9
117.06988	6.0
119.08570	15.1
121.06494	3.9
121.10134	4.4
123.08061	6.1
123.11692	0.6
125.06008	1.5
125.07133	3.4
125.09646	1.1
126.05518	2.5
128.06218	6.4
129.06999	12.7
130.07787	2.3
131.04944	4.6
131.08560	65.5
132.08884	2.6
132.79933	0.6
133.06531	0.8
133.10118	15.0
134.07228	0.5
134.10393	0.8
135.08046	1.8
137.06017	1.8
137.09613	1.1
139.07535	7.0
141.06982	6.5
141.09085	2.5
142.07780	7.0
143.08554	14.1
144.09322	2.3
145.06500	2.6
145.10117	14.8
145.11244	0.8
147.08069	1.8
147.11667	5.0
149.09630	1.3
152.06248	1.1
152.19118	0.5
153.06982	3.1
154.07748	3.7
155.08551	12.8
156.09351	4.8
157.06529	1.2
157.10123	10.2
158.07274	1.1
158.10756	0.6
159.08105	2.1
159.11661	7.2
160.08864	0.6
161.09671	3.3
161.13284	1.1
165.06967	8.9
166.07797	4.6
167.08554	7.9
168.09343	4.0
169.10110	15.5
170.10857	2.2
171.08211	0.8
171.11678	7.8
172.08806	1.1
173.09592	2.7
173.13336	1.5
175.11166	2.8
177.09132	1.1
178.07735	8.5
179.08545	17.8
179.10783	1.1
180.09317	7.6
181.06525	0.7
181.10112	16.1
182.07309	0.9
182.10893	5.2
183.08096	1.5
183.11681	19.9
184.12260	1.4
185.09596	0.8
185.13216	5.7
185.14517	0.5
187.11145	2.6
189.07071	2.4
190.07829	2.0
191.08569	10.7
191.10513	1.4
192.09303	16.3
193.10110	30.4
194.10851	8.6
195.08060	2.5
195.11679	28.5
196.12347	4.8
197.09691	2.1
197.13251	13.8
198.13733	0.8
199.11157	0.8
199.14914	1.5
202.07646	2.8
203.08504	7.6
203.10228	0.7
204.09320	8.1
205.10135	27.2
205.12172	2.2
206.10867	18.7
207.08537	1.1
207.11674	28.4
208.12460	4.6
208.14325	1.2
209.09967	3.0
209.13153	27.8
210.10393	1.2
210.13710	1.9
211.11290	1.4
211.14833	3.3
213.12877	0.8
215.08600	2.8
216.09319	3.7
217.10120	15.2
217.12025	0.9
218.10950	13.1
218.12970	3.3
219.08160	2.0
219.11662	34.1
220.08919	1.7
220.12422	24.0
221.09909	5.5
221.13217	34.0
222.10417	2.0
222.13818	5.0
223.11307	2.6
223.14830	5.5
224.15286	0.7
225.12788	2.6
228.09346	1.1
229.10092	4.1
230.10765	3.8
231.08192	0.9
231.11664	15.8
232.08965	1.0
232.12427	18.6
232.14664	1.1
233.09836	3.7
233.13213	35.0
234.10368	2.3
234.13969	16.5
235.11314	9.5
235.14787	62.5
236.12007	5.0
236.15456	13.6
237.12820	4.5
237.16344	16.2
238.13370	0.9
238.17020	1.2
239.14456	1.9
241.10153	1.2
242.10933	1.9
242.13147	0.6
243.11676	7.3
243.13863	0.9
244.12466	4.6
245.09778	1.7
245.13197	9.7
246.10423	2.2
246.13989	17.5
247.11176	3.8
247.14792	32.9
248.12061	2.9
248.15479	11.5
249.12805	5.9
249.16457	17.1
250.13394	0.7
250.17041	2.5
251.14238	1.2
251.17902	0.7
254.11012	0.9
255.11693	1.7
256.12509	1.4
257.09760	0.6
257.10727	0.7
257.13303	5.1
257.15396	1.2
258.10663	1.3
258.14090	4.3
259.11325	1.9
259.14896	12.0
259.17209	0.8
260.12311	1.3
260.15604	5.8
261.12869	10.8
261.16461	54.9
262.13614	2.1
262.17047	8.3
263.11456	0.8
263.14417	8.6
263.18039	23.1
264.14987	1.7
264.18695	5.8
265.13052	0.6
265.16190	4.2
265.19394	7.7
266.19922	0.6
267.11652	1.0
268.12317	0.8
269.13196	0.9
270.14020	1.2
271.11438	1.8
271.14917	5.4
272.12100	2.0
272.15652	2.8
273.12854	2.7
273.16440	8.0
274.13605	1.4
274.17188	2.1
275.11383	1.0
275.14420	5.5
275.17935	22.4
276.15268	7.3
276.18680	51.9
277.12701	0.9
277.15915	5.2
277.19464	13.8
278.20114	0.9
279.13947	1.2
279.17172	1.2
281.13034	1.1
282.13980	0.9
283.14868	1.4
284.11963	0.8
284.15430	0.6
285.12823	3.1
285.16446	3.0
286.13602	2.5
286.17206	3.7
287.14407	3.3
287.18018	5.3
288.18472	0.7
289.19562	1.0
292.20157	5.9
293.15512	1.0
293.18463	4.7
296.15714	1.3
297.13086	0.6
297.16238	1.0
299.14337	2.3
299.18005	2.6
300.15234	1.4
300.18698	1.2
301.12448	1.1
301.15918	4.5
301.19604	9.1
302.18591	11.1
303.14023	0.7
303.17490	0.6
305.15598	1.0
311.17822	1.0
313.15918	1.4
314.16623	1.5
314.20279	1.3
315.17569	3.9
315.20792	1.1
319.16956	1.8
324.15091	0.7
328.18304	1.1
329.19028	5.4
329.22748	8.8
330.22968	0.7
331.17072	0.9
333.18460	3.2
339.17487	2.2
339.21237	1.9
342.16055	0.9
345.18680	0.6
346.19400	1.2
347.20193	3.2
357.18521	7.6
357.22299	8.5
358.18735	0.9
358.22635	0.8
360.15085	1.3
361.15979	0.7
375.19382	24.1
375.23358	100.0
376.19272	2.6
376.26181	63.8
394.27054	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.01871	1.7
55.05510	15.2
57.03444	1.3
57.07074	27.9
62.82599	0.5
65.03948	2.0
67.05499	16.3
67.68548	0.5
69.03431	3.4
69.07059	3.5
71.05000	1.2
71.20562	0.7
79.05482	7.2
79.34099	0.5
80.12516	0.5
81.03452	0.5
81.07054	7.7
83.04975	46.7
83.08622	1.4
84.05325	0.7
85.06539	0.8
87.04464	1.0
91.05475	26.4
92.05796	0.5
93.07040	26.8
93.99054	0.5
95.04971	7.0
95.08601	34.3
96.08934	0.5
97.02908	1.3
97.06548	2.0
99.04476	1.8
103.05474	2.1
105.04541	1.2
105.07022	15.2
107.08582	9.3
109.02839	0.5
109.06539	3.4
109.10165	4.4
111.04438	22.7
111.05180	1.1
111.08070	13.3
112.08419	0.7
113.06016	3.7
115.05457	4.4
116.06241	4.9
117.06988	6.0
119.08570	15.1
121.06494	3.9
121.10134	4.4
123.08061	6.1
123.11692	0.6
125.06008	1.5
125.07133	3.4
125.09646	1.1
126.05518	2.5
128.06218	6.4
129.06999	12.7
130.07787	2.3
131.04944	4.6
131.08560	65.5
132.08884	2.6
132.79933	0.6
133.06531	0.8
133.10118	15.0
134.07228	0.5
134.10393	0.8
135.08046	1.8
137.06017	1.8
137.09613	1.1
139.07535	7.0
141.06982	6.5
141.09085	2.5
142.07780	7.0
143.08554	14.1
144.09322	2.3
145.06500	2.6
145.10117	14.8
145.11244	0.8
147.08069	1.8
147.11667	5.0
149.09630	1.3
152.06248	1.1
152.19118	0.5
153.06982	3.1
154.07748	3.7
155.08551	12.8
156.09351	4.8
157.06529	1.2
157.10123	10.2
158.07274	1.1
158.10756	0.6
159.08105	2.1
159.11661	7.2
160.08864	0.6
161.09671	3.3
161.13284	1.1
165.06967	8.9
166.07797	4.6
167.08554	7.9
168.09343	4.0
169.10110	15.5
170.10857	2.2
171.08211	0.8
171.11678	7.8
172.08806	1.1
173.09592	2.7
173.13336	1.5
175.11166	2.8
177.09132	1.1
178.07735	8.5
179.08545	17.8
179.10783	1.1
180.09317	7.6
181.06525	0.7
181.10112	16.1
182.07309	0.9
182.10893	5.2
183.08096	1.5
183.11681	19.9
184.12260	1.4
185.09596	0.8
185.13216	5.7
185.14517	0.5
187.11145	2.6
189.07071	2.4
190.07829	2.0
191.08569	10.7
191.10513	1.4
192.09303	16.3
193.10110	30.4
194.10851	8.6
195.08060	2.5
195.11679	28.5
196.12347	4.8
197.09691	2.1
197.13251	13.8
198.13733	0.8
199.11157	0.8
199.14914	1.5
202.07646	2.8
203.08504	7.6
203.10228	0.7
204.09320	8.1
205.10135	27.2
205.12172	2.2
206.10867	18.7
207.08537	1.1
207.11674	28.4
208.12460	4.6
208.14325	1.2
209.09967	3.0
209.13153	27.8
210.10393	1.2
210.13710	1.9
211.11290	1.4
211.14833	3.3
213.12877	0.8
215.08600	2.8
216.09319	3.7
217.10120	15.2
217.12025	0.9
218.10950	13.1
218.12970	3.3
219.08160	2.0
219.11662	34.1
220.08919	1.7
220.12422	24.0
221.09909	5.5
221.13217	34.0
222.10417	2.0
222.13818	5.0
223.11307	2.6
223.14830	5.5
224.15286	0.7
225.12788	2.6
228.09346	1.1
229.10092	4.1
230.10765	3.8
231.08192	0.9
231.11664	15.8
232.08965	1.0
232.12427	18.6
232.14664	1.1
233.09836	3.7
233.13213	35.0
234.10368	2.3
234.13969	16.5
235.11314	9.5
235.14787	62.5
236.12007	5.0
236.15456	13.6
237.12820	4.5
237.16344	16.2
238.13370	0.9
238.17020	1.2
239.14456	1.9
241.10153	1.2
242.10933	1.9
242.13147	0.6
243.11676	7.3
243.13863	0.9
244.12466	4.6
245.09778	1.7
245.13197	9.7
246.10423	2.2
246.13989	17.5
247.11176	3.8
247.14792	32.9
248.12061	2.9
248.15479	11.5
249.12805	5.9
249.16457	17.1
250.13394	0.7
250.17041	2.5
251.14238	1.2
251.17902	0.7
254.11012	0.9
255.11693	1.7
256.12509	1.4
257.09760	0.6
257.10727	0.7
257.13303	5.1
257.15396	1.2
258.10663	1.3
258.14090	4.3
259.11325	1.9
259.14896	12.0
259.17209	0.8
260.12311	1.3
260.15604	5.8
261.12869	10.8
261.16461	54.9
262.13614	2.1
262.17047	8.3
263.11456	0.8
263.14417	8.6
263.18039	23.1
264.14987	1.7
264.18695	5.8
265.13052	0.6
265.16190	4.2
265.19394	7.7
266.19922	0.6
267.11652	1.0
268.12317	0.8
269.13196	0.9
270.14020	1.2
271.11438	1.8
271.14917	5.4
272.12100	2.0
272.15652	2.8
273.12854	2.7
273.16440	8.0
274.13605	1.4
274.17188	2.1
275.11383	1.0
275.14420	5.5
275.17935	22.4
276.15268	7.3
276.18680	51.9
277.12701	0.9
277.15915	5.2
277.19464	13.8
278.20114	0.9
279.13947	1.2
279.17172	1.2
281.13034	1.1
282.13980	0.9
283.14868	1.4
284.11963	0.8
284.15430	0.6
285.12823	3.1
285.16446	3.0
286.13602	2.5
286.17206	3.7
287.14407	3.3
287.18018	5.3
288.18472	0.7
289.19562	1.0
292.20157	5.9
293.15512	1.0
293.18463	4.7
296.15714	1.3
297.13086	0.6
297.16238	1.0
299.14337	2.3
299.18005	2.6
300.15234	1.4
300.18698	1.2
301.12448	1.1
301.15918	4.5
301.19604	9.1
302.18591	11.1
303.14023	0.7
303.17490	0.6
305.15598	1.0
311.17822	1.0
313.15918	1.4
314.16623	1.5
314.20279	1.3
315.17569	3.9
315.20792	1.1
319.16956	1.8
324.15091	0.7
328.18304	1.1
329.19028	5.4
329.22748	8.8
330.22968	0.7
331.17072	0.9
333.18460	3.2
339.17487	2.2
339.21237	1.9
342.16055	0.9
345.18680	0.6
346.19400	1.2
347.20193	3.2
357.18521	7.6
357.22299	8.5
358.18735	0.9
358.22635	0.8
360.15085	1.3
361.15979	0.7
375.19382	24.1
375.23358	100.0
376.19272	2.6
376.26181	63.8
394.27054	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01865	2.2
55.05505	6.7
57.02573	1.2
57.52149	1.1
67.05499	4.7
69.03423	9.1
69.07072	13.7
71.04994	2.4
71.29272	2.7
79.05491	8.8
81.07056	15.2
83.04974	3.7
83.08639	8.0
84.04501	3.9
85.02902	5.8
85.06549	4.4
91.05460	8.6
93.07053	14.0
95.04948	3.7
95.08604	24.6
96.08134	2.1
96.08958	1.4
97.02858	1.6
97.10177	5.0
99.08080	14.5
101.07156	2.6
103.05510	1.8
105.07037	9.4
107.08591	27.4
109.02888	4.3
109.06471	2.4
109.10154	10.3
110.09711	3.1
111.08084	6.0
113.09671	1.7
117.06998	2.9
119.08575	6.3
120.08117	8.8
121.06512	9.3
121.10142	47.2
122.06887	1.3
122.10473	2.6
123.08045	1.3
123.11700	1.8
124.07568	1.9
125.09645	5.2
128.06247	3.6
129.06680	2.5
130.05006	5.1
131.04959	2.7
131.08551	9.8
133.06503	1.4
133.10103	4.7
135.08063	5.8
135.11676	10.8
135.62167	1.3
136.45641	1.2
137.05945	7.0
137.13254	5.1
138.09123	18.2
139.09538	1.2
141.07007	1.6
142.07806	1.8
143.08556	7.1
144.09334	5.7
145.06444	4.4
145.10107	5.3
147.07753	2.1
148.07518	1.5
149.09595	1.9
149.13275	3.8
150.05582	1.6
153.06956	1.7
155.08534	3.4
157.06528	2.1
157.10135	2.7
158.07294	2.5
158.10934	5.5
159.08075	6.6
159.11684	14.6
163.07552	2.9
165.09215	1.7
168.09340	3.6
169.10057	1.3
171.08037	8.3
172.08864	11.9
173.06055	1.5
173.09564	7.7
173.13240	10.4
175.07576	2.8
177.10193	1.5
177.16377	100.0
178.05014	2.1
178.16727	5.2
181.06445	2.8
183.11726	5.5
185.34361	1.4
186.10411	38.6
187.07544	1.9
187.11137	21.1
189.09076	1.8
191.07031	1.5
195.17465	16.8
196.08876	5.9
199.07573	3.0
201.12740	41.6
202.13098	4.0
211.11188	7.9
213.18481	22.5
214.09895	4.4
229.12227	64.3
230.12642	3.9
246.14919	1.7
284.16382	3.1
297.12326	1.9
315.13321	4.6
330.16992	3.9
343.12823	7.0
347.15784	2.4
358.16559	15.7
369.97089	1.4
375.19135	77.1
376.19327	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.9
55.01861	5.3
55.05512	25.2
57.03440	8.7
57.07065	4.1
59.04988	4.4
61.02932	11.9
67.05509	11.7
69.03426	38.4
69.07066	50.2
70.07372	1.4
70.10873	2.9
70.11260	3.0
71.04995	10.9
71.08627	2.5
73.02910	5.6
79.05507	8.9
81.03421	13.6
81.07057	30.4
81.56635	1.4
83.04972	9.6
83.08614	8.5
85.02902	91.8
85.06542	21.7
86.03232	1.4
87.04454	6.2
88.05331	1.5
91.03942	4.5
91.05470	6.9
93.07052	16.5
95.04971	2.3
95.08604	50.8
97.02890	27.9
97.06529	5.3
97.10151	11.0
99.04440	5.2
99.08092	29.4
101.02386	1.7
103.05457	1.8
105.07015	8.1
107.08596	30.6
109.02879	12.0
109.06515	2.1
109.10163	16.6
111.08082	4.2
111.11757	6.8
113.09656	9.2
115.03932	1.8
115.05421	2.8
117.07011	3.7
119.08578	2.8
121.10138	37.4
122.10475	2.2
122.88268	1.2
123.11702	9.8
125.09620	9.1
127.03910	18.0
128.06177	1.9
133.06526	2.1
133.10121	1.9
135.11691	19.2
137.05946	2.0
137.13248	26.7
138.06244	1.4
139.11165	9.8
143.08664	1.9
145.04964	15.5
145.06059	1.8
145.06503	1.7
149.13234	4.9
151.07550	5.2
151.14803	5.3
153.12746	10.1
159.11671	1.7
161.05986	2.4
161.09605	1.7
163.07426	2.8
167.07045	1.7
171.07982	1.5
175.07565	12.5
175.11095	2.2
177.09149	2.2
177.16380	100.0
178.16698	5.1
181.08571	3.0
193.08493	3.4
193.15825	1.5
194.09224	1.9
195.10217	2.2
195.17427	37.6
196.17760	1.8
203.10738	8.1
205.08611	2.2
213.18486	43.0
214.18971	3.2
221.11708	4.8
235.07603	1.5
237.85321	1.5
266.99667	1.8
315.08447	2.5
325.10553	2.4
333.23160	1.6
357.13434	2.1
375.18170	4.1
375.23642	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2377
Annotation	Manglieside C
Peak:m/z	Relative Intensity
52.83204	1.8
53.03945	4.2
55.01867	4.1
55.05511	23.3
57.03444	8.8
57.07069	4.7
59.04989	6.3
60.73621	1.8
61.02927	10.7
65.03953	2.5
67.05503	11.4
68.35984	1.8
69.03428	31.3
69.06725	3.3
69.07072	41.7
70.06586	1.9
71.04996	12.8
71.08611	2.0
71.29246	2.2
72.31934	1.6
72.38109	1.7
73.02919	5.7
79.05494	11.5
81.03417	14.8
81.07062	36.3
83.04977	8.4
83.08611	12.4
84.05298	2.1
85.02907	81.3
85.06543	19.8
87.04472	4.1
91.03942	4.7
91.05474	8.7
93.07044	19.0
95.04961	5.7
95.08609	53.4
96.08938	2.1
97.02891	23.9
97.06526	4.7
97.10161	14.1
99.04467	3.4
99.08101	18.7
99.69733	1.7
103.05461	2.0
105.07085	9.2
105.07709	2.1
107.04967	2.1
107.08595	32.8
107.13553	2.0
109.02873	9.9
109.06538	4.8
109.10159	21.2
111.08074	2.7
111.11703	7.8
112.06458	1.9
113.09667	8.7
115.05447	2.6
115.53765	1.8
117.07061	2.8
119.08549	5.3
120.08112	1.9
121.06542	2.3
121.10141	43.1
122.10442	2.7
123.11685	11.3
125.09606	7.7
127.03931	22.3
127.11134	2.0
129.07028	2.2
131.08589	2.3
133.10167	5.3
135.08015	2.8
135.11690	19.5
137.05963	12.6
137.13278	21.4
139.11230	10.3
143.08572	2.1
145.04956	11.4
145.06445	2.6
145.10138	4.6
147.04422	3.4
147.11623	2.6
149.13252	5.2
151.03928	11.1
151.07495	6.3
151.14815	6.1
153.05458	2.2
153.12727	9.3
159.11642	3.5
161.09645	2.8
161.41202	2.2
163.07484	2.9
167.07050	3.9
175.07555	6.7
175.14980	2.3
177.09099	2.4
177.16388	100.0
178.16772	9.0
179.07095	2.8
181.08606	2.3
189.09103	2.2
193.08588	4.0
195.17445	35.7
196.17838	2.5
203.10635	2.1
205.08615	2.7
213.18489	34.1
214.18820	3.4
224.07085	2.2
367.28610	1.8
375.11273	2.2
375.18314	3.5
375.23343	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	10.4
55.01867	5.4
55.05516	15.3
57.07062	12.9
66.13952	4.8
67.05512	30.5
69.07080	9.7
79.05501	40.7
81.07056	52.4
83.04918	7.7
91.05483	68.6
93.07050	69.7
95.04968	41.9
95.08611	45.8
97.06528	10.0
103.05476	9.2
103.58978	6.2
105.07019	100.0
107.08585	50.1
109.06537	8.5
109.10159	25.4
115.05456	5.0
117.07009	18.5
119.08581	93.4
121.06521	22.1
121.10142	64.2
123.08062	7.2
128.06233	7.9
129.07021	22.7
130.07791	12.5
131.08571	47.2
133.10106	32.3
135.08051	6.7
135.11719	12.4
142.07768	13.5
143.08595	34.4
144.09288	6.5
145.10127	61.9
147.11703	19.3
153.05498	14.8
155.08560	9.6
156.09294	11.5
157.10118	42.6
158.10904	7.0
159.11629	33.0
161.09671	10.0
161.13173	6.2
167.07057	18.5
169.10139	14.9
171.11713	14.3
172.12445	4.8
173.09641	6.0
173.13287	18.2
175.11113	6.6
183.11658	17.2
185.13197	5.9
187.14828	19.2
189.09123	7.2
195.11700	17.9
197.13300	7.5
199.14784	9.0
201.16385	8.3
207.11630	7.7
209.13234	10.1
211.14905	6.7
221.11646	13.2
310.29224	5.7
343.15475	7.1
375.17920	6.5
375.26840	23.3
376.26187	8.0
389.22763	6.0
389.27942	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.16
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63116	0.6
57.03439	0.9
61.02936	0.9
63.96803	0.5
69.03419	1.8
69.26698	0.5
70.85057	0.9
74.05678	0.6
74.14315	0.5
76.44919	0.5
79.22002	0.6
81.03427	0.8
85.02903	8.4
91.03959	0.5
91.05476	3.4
97.02889	2.2
119.04900	3.1
123.33983	0.5
127.03899	1.4
137.05992	1.2
145.04959	1.9
147.04404	100.0
148.04732	4.5
151.07574	3.0
163.03871	2.7
179.07025	45.5
180.07359	1.8
180.08727	0.7
185.02153	1.4
193.31749	0.6
197.04289	0.6
203.64554	0.5
215.05289	2.6
261.40756	0.5
265.95389	0.5
359.07559	0.5
376.07516	0.5
376.16794	0.8
377.08420	4.9
377.13330	1.3
377.17899	0.9
389.60718	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
57.03413	0.8
58.62041	0.6
61.02922	3.5
69.03427	4.2
69.43089	3.6
71.04993	1.0
71.97479	0.6
73.02887	1.0
73.73282	0.7
74.87770	0.7
74.89994	0.6
75.25777	0.6
76.06103	0.7
79.05509	0.6
80.04153	0.6
81.03413	2.8
85.02902	22.8
86.03223	0.8
91.03941	1.2
91.05497	0.9
97.02897	6.2
109.02890	1.3
110.89452	0.7
116.03310	0.8
119.04935	1.4
122.03659	1.1
127.03912	3.5
134.35408	0.8
137.05971	100.0
138.06282	2.9
141.20848	0.6
145.04918	4.6
151.07559	3.4
177.05544	0.7
179.07034	30.4
180.07323	1.4
180.08707	1.6
181.08627	0.9
197.08214	3.6
213.07361	7.3
214.07672	9.5
214.10812	1.5
255.35928	0.6
376.12756	0.8
377.17734	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01854	0.9
57.03428	1.8
58.01101	0.6
61.02924	2.4
62.97645	0.5
69.03442	5.1
70.72791	1.2
71.04976	0.8
73.02901	0.8
81.03406	2.4
85.02908	19.3
91.03970	1.4
91.05489	1.5
93.16339	0.5
97.02903	5.8
99.04452	1.0
101.60189	0.5
103.42569	0.5
103.99712	0.6
109.02867	1.2
119.04935	2.3
122.03629	1.6
127.03902	3.0
137.05975	100.0
138.06300	4.0
145.04962	5.1
151.03964	0.7
151.07587	3.3
179.07034	29.1
180.07343	1.7
180.08730	1.7
181.08633	1.9
197.08086	3.2
214.10669	0.9
376.19412	0.7
377.07413	0.9
383.11487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48761	1.9
53.03339	1.9
55.01857	2.3
56.96556	2.7
67.14513	2.1
68.30960	2.9
69.03438	3.8
69.32394	16.5
70.06616	3.2
75.18919	2.3
78.17491	2.1
81.07076	2.6
84.61889	2.4
84.80750	2.0
85.02906	16.9
91.03984	2.8
91.05474	4.3
93.07003	2.4
95.08026	2.3
95.34557	2.8
97.02901	6.5
108.51212	2.1
117.56222	2.4
119.04910	2.3
121.10145	2.7
123.04387	2.8
125.99510	2.3
127.03943	3.5
137.05971	100.0
138.06354	7.0
138.09773	2.8
140.04660	3.0
142.35352	2.4
145.05008	5.3
147.04414	3.1
151.03864	7.2
151.07503	4.0
153.05414	3.5
177.05357	2.9
179.07037	26.2
180.08762	4.7
197.08067	11.8
213.07378	7.9
214.07695	9.1
214.09727	6.3
215.03198	4.0
239.02312	3.0
376.14590	7.7
376.19049	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.6
59.89742	0.6
61.02932	1.0
69.03419	2.6
70.85521	0.8
70.85870	0.9
71.88058	0.6
73.34423	0.6
81.03427	1.8
85.02902	7.4
86.09724	0.6
88.44500	0.6
91.05464	1.5
94.04192	0.8
95.08639	0.6
97.02904	1.3
98.22704	0.7
105.06998	0.8
107.04953	1.3
109.02851	0.9
109.10156	1.0
119.08572	2.8
122.03671	2.2
125.05985	1.0
127.03913	1.8
134.68645	0.8
137.05974	100.0
138.06325	4.0
145.04999	0.9
147.08061	9.9
148.03935	0.8
151.03906	5.4
152.04211	1.7
153.05502	0.7
161.05989	1.0
163.07507	1.2
179.10675	17.0
180.11122	0.7
189.09023	0.7
191.07082	0.7
197.11673	0.9
201.06995	0.7
224.45834	0.7
254.27814	0.7
287.08551	0.9
302.12198	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84686	0.6
53.03931	1.1
55.01880	3.6
55.05503	6.0
56.96572	1.3
57.07076	6.3
58.60976	0.7
65.03950	0.6
67.05171	1.0
67.05502	10.5
67.57059	0.7
69.03452	1.1
69.07069	15.2
71.04971	0.7
71.08630	36.9
71.32709	1.1
79.05492	6.3
80.68349	0.6
81.07056	13.1
83.04976	1.6
83.08611	2.1
85.06550	3.2
86.06065	1.9
86.09704	14.4
88.11268	100.0
89.11599	1.8
91.05472	6.5
93.07045	11.8
95.04964	13.4
95.08604	15.2
97.06534	3.1
97.10173	1.1
98.98480	3.0
99.08102	3.1
105.07030	8.1
107.08595	9.3
109.06517	16.7
109.10147	4.6
111.08094	1.5
111.11771	0.7
114.09164	1.0
117.07022	2.1
118.07648	0.7
119.08586	6.6
121.06504	3.6
121.10144	2.2
123.08070	2.7
123.11736	0.8
125.09705	0.9
129.07013	1.3
131.08583	5.3
133.10139	5.5
135.08064	2.5
135.11656	1.6
137.09578	1.1
138.12724	1.2
140.34930	0.7
141.07031	1.0
142.07768	1.1
142.12247	0.8
143.08543	3.4
145.10104	4.5
146.42856	0.7
147.08041	0.9
147.11697	3.2
149.09624	1.4
149.13234	4.2
150.13820	0.6
151.11192	1.1
153.05452	1.0
155.01051	2.8
155.08562	2.2
156.13828	5.1
157.10132	2.8
159.11705	3.0
161.13197	0.9
163.11194	1.8
163.14842	1.8
165.07115	1.0
165.12752	67.1
166.13101	3.2
167.07047	2.0
167.08508	1.3
168.09401	0.9
169.10138	2.1
170.15388	3.9
171.11684	2.7
173.13248	6.0
175.11206	2.9
179.08591	1.4
179.14302	1.9
181.10127	2.2
182.15504	1.0
183.11713	6.7
184.13385	4.5
184.16948	3.5
187.14835	1.1
191.14301	7.0
193.10048	1.5
195.11678	1.6
197.13274	1.0
198.18501	1.0
199.14912	0.8
201.12758	3.7
201.76346	0.7
207.11749	1.6
208.12427	1.1
209.13243	2.2
210.18559	0.8
215.14270	0.8
221.13278	1.0
222.12012	0.8
222.18575	2.8
223.14862	2.6
224.20102	8.2
226.18095	1.7
229.19556	1.9
236.20050	1.3
237.16422	3.4
253.19537	0.9
254.21144	3.8
261.22144	1.0
262.21744	4.0
271.20483	4.2
278.24802	20.7
279.25253	1.8
289.21582	7.7
308.25720	1.2
317.17801	1.8
320.26035	0.8
335.19089	4.1
344.15808	2.5
358.31116	4.0
376.26599	2.2
376.32120	30.3
376.36935	3.2
377.10168	0.8
377.24664	21.8
377.31787	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52288	10.4
56.96568	100.0
70.85132	30.6
83.95337	11.3
98.23261	12.8
119.04961	15.6
127.03940	16.5
137.06010	34.1
143.00182	32.5
147.04436	13.4
161.01180	16.0
164.47871	11.4
177.09123	40.9
181.08643	14.4
185.93665	11.4
213.04427	13.7
239.02150	57.8
257.03250	32.6
298.11548	11.7
315.01605	30.3
329.37366	14.3
333.02933	14.3
377.06448	46.2
395.02267	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46058	2.6
54.60340	2.4
56.83389	2.5
58.99865	4.1
63.16412	2.9
69.76241	10.2
77.00917	4.0
82.12820	2.6
101.00860	24.3
113.00889	9.3
119.01107	4.2
119.01907	31.9
120.01936	2.6
121.02879	19.0
131.01888	22.3
133.03403	4.5
139.02397	3.1
143.01912	10.9
145.03456	3.3
148.11057	2.8
149.02924	3.0
150.23723	2.8
153.03976	6.1
155.01917	14.8
157.03490	8.3
161.02988	10.6
163.03853	6.4
169.03447	8.4
171.05051	8.9
173.02968	21.6
176.75406	2.5
179.01917	4.7
193.03514	4.4
195.01253	3.5
195.04984	7.6
197.02963	21.7
203.01959	10.3
203.03952	5.6
209.03081	6.0
211.04524	9.8
213.02487	5.6
214.48512	2.7
215.03996	7.8
221.02982	34.5
221.05055	8.7
222.03242	3.8
224.36037	2.7
231.03481	3.8
233.03085	5.1
239.04002	25.5
239.06165	6.9
240.04221	3.1
256.97736	5.2
257.05069	39.4
258.05173	3.3
269.05072	4.8
275.02582	15.5
275.06070	100.0
276.06311	6.9
287.03418	3.5
287.05994	17.8
289.07758	3.9
298.07758	4.4
305.07269	7.8
309.33810	3.3
313.07990	3.3
315.05634	3.7
317.07166	7.3
334.98810	3.6
341.07169	6.0
347.08389	4.7
377.09332	50.9
378.09055	5.2
395.00772	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.084
Annotation	Unknow
Peak:m/z	Relative Intensity
70.68600	2.2
89.03936	3.4
93.13454	1.0
111.58785	0.9
117.03369	5.3
135.04425	10.7
145.02852	9.5
163.03903	47.0
164.04207	1.8
167.81117	1.2
179.03226	2.4
185.02089	21.1
185.03580	1.7
197.04210	14.0
203.03223	1.4
204.06573	1.2
207.05087	2.7
215.05257	51.9
216.05600	1.4
221.03026	2.3
245.44534	1.0
359.07404	13.0
377.08502	100.0
377.13235	17.8
378.08765	7.3
378.13101	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97046	0.6
61.62705	0.5
69.95738	1.8
74.13702	0.4
98.22690	0.7
102.98449	0.5
105.73955	0.5
135.04353	0.5
137.05971	0.6
139.50919	0.6
163.03876	3.1
177.09114	1.6
179.03131	0.9
181.08540	0.6
185.02081	3.5
197.04205	3.3
215.05284	8.0
359.07346	4.1
377.08435	100.0
378.08746	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40706	1.4
60.32553	1.2
60.60296	1.4
65.03948	1.9
69.35858	5.1
69.36261	2.5
70.99834	2.2
74.65432	1.4
75.60954	1.3
77.00926	1.9
78.45735	1.4
81.03425	2.1
82.99857	2.1
83.04987	1.4
89.00899	2.8
93.03417	2.4
95.04982	1.6
97.02926	2.0
100.64526	1.2
101.00884	24.0
111.04514	1.8
113.00880	7.1
113.33753	1.3
115.02467	1.9
119.01928	25.9
121.02873	23.5
131.01909	22.3
133.03452	1.8
137.02950	1.4
141.04008	1.5
143.01903	10.8
145.03479	5.3
149.02942	2.6
153.03978	5.3
155.01941	12.5
157.03464	5.7
159.05095	2.2
160.23250	1.6
161.00844	2.1
161.03012	8.5
165.04021	2.5
169.03508	6.8
171.05052	7.0
173.02957	16.7
175.04501	2.7
177.03838	1.8
179.01929	6.1
181.03366	3.3
183.05014	3.0
185.02882	3.6
185.41663	1.3
187.04480	1.7
191.03986	2.3
193.03505	2.9
195.05063	12.4
197.02966	22.0
197.06509	1.7
203.01900	12.3
203.04021	4.2
204.47441	1.3
207.01276	1.3
207.05092	2.2
209.02913	3.7
211.04524	8.6
213.06155	1.8
215.02081	2.4
215.04073	6.9
215.07521	2.0
216.04121	1.8
221.02942	30.2
221.05066	9.7
222.03090	4.0
223.04630	2.3
227.04088	1.5
233.02959	5.7
237.00694	1.7
239.04018	27.5
239.06142	4.5
240.04185	1.9
245.05125	3.7
253.05678	1.6
257.05054	42.8
258.05276	5.4
259.06699	5.1
269.05066	5.6
275.02832	4.2
275.06116	100.0
276.06348	10.4
287.06110	21.3
288.06329	1.8
293.07120	2.6
298.07956	2.5
305.07266	7.4
315.05734	2.2
316.97437	1.8
317.07300	7.9
317.10638	2.2
326.84308	1.5
335.08102	4.0
335.11914	3.4
341.07367	3.9
347.08209	5.3
359.08044	2.4
377.09564	52.5
377.19385	1.5
378.10065	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39010	1.6
70.65797	3.6
73.49413	1.6
82.99866	3.6
89.00884	2.7
93.03401	2.4
95.04996	2.3
101.00883	21.0
102.01032	2.2
111.04415	1.9
113.00886	7.6
119.01926	24.2
120.01972	2.1
121.02863	26.1
131.01900	23.7
133.03479	3.1
137.02951	3.0
139.02444	2.0
143.01830	9.6
145.03525	4.6
151.02339	2.5
153.03990	4.7
155.01906	12.1
157.03479	7.0
161.02989	6.2
163.03906	3.6
169.03456	8.4
171.01279	2.2
171.05040	7.0
173.02945	16.7
179.01909	6.4
183.05075	3.0
185.02963	2.0
193.03569	4.8
195.05048	12.8
197.02942	21.4
203.01945	13.4
203.03883	3.2
209.03032	3.8
211.04564	7.0
213.02451	4.7
213.06053	2.6
215.03749	3.7
215.05589	2.8
221.03012	37.6
221.05072	7.2
222.03355	2.3
233.02956	6.2
235.04401	2.6
239.04030	29.6
239.06145	4.2
240.04018	2.5
251.02397	2.2
255.52226	2.2
257.05069	46.5
258.05255	3.3
269.05139	6.8
275.02689	9.3
275.06113	100.0
276.03043	2.2
276.06326	10.6
287.02777	3.2
287.06091	22.4
305.07224	10.1
306.07605	1.9
315.05658	4.1
316.97720	2.4
317.04068	1.9
317.07254	7.8
333.06290	2.3
341.07196	3.9
347.08298	2.8
359.07889	3.5
377.09152	45.2
378.09244	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1019
Annotation	Pummeloquinone
Peak:m/z	Relative Intensity
62.31500	0.2
69.04923	1.5
83.04986	0.2
117.92796	0.2
134.79456	0.2
176.06224	0.2
176.42264	0.2
177.06969	0.4
178.07774	0.3
179.08563	0.3
189.07002	0.9
190.07787	0.6
191.08549	0.6
202.07683	1.0
203.08539	0.9
205.06509	1.4
206.07085	0.2
207.08086	0.3
216.05785	0.3
217.06500	0.5
218.07274	0.6
219.07974	0.9
220.08882	0.4
221.05914	0.2
229.06473	0.4
230.07260	0.6
231.08011	1.4
232.08736	0.7
233.05969	1.4
234.06648	0.7
235.07506	0.9
245.05928	0.8
246.06720	0.5
247.07442	1.7
248.04649	0.3
248.08284	0.7
249.05353	0.4
249.09126	0.4
250.06129	0.2
251.06953	0.3
257.05887	0.5
258.06689	0.5
259.07498	1.7
260.04575	0.2
260.08261	1.0
261.05490	1.6
261.08969	0.5
262.06201	1.0
263.07028	6.3
264.07501	0.7
265.05243	0.2
266.05682	0.2
267.06534	0.4
271.07590	0.2
273.05487	1.5
274.06314	1.1
275.07007	2.7
276.04294	0.4
276.07742	1.3
277.05289	0.3
277.08548	1.3
278.05716	0.4
278.09171	0.3
279.06555	0.3
285.05414	0.2
286.06244	0.8
287.07025	3.1
288.07712	2.1
289.04938	1.4
289.08478	1.1
290.05670	2.1
291.06509	5.0
291.09912	0.4
292.07126	0.8
293.04553	0.2
293.07755	0.2
294.05261	0.2
299.07077	0.3
301.04974	1.1
302.05679	1.8
303.06500	3.7
304.03638	1.0
304.07245	2.2
305.04623	0.3
305.08014	2.9
306.05682	0.2
306.08871	1.0
306.11926	0.2
307.05939	0.4
307.09396	0.2
313.14343	0.2
314.05832	0.3
315.02783	0.3
315.06476	6.1
316.07239	3.2
317.04364	0.7
317.07965	4.4
318.05209	2.2
318.08746	1.0
319.06012	10.4
319.09415	0.6
320.06473	1.3
329.04483	0.5
330.05222	0.5
331.05902	1.8
332.03201	0.3
332.06775	1.6
333.07544	16.8
334.08243	6.0
334.12286	0.3
335.08945	0.4
343.02786	0.1
343.06000	3.8
344.06778	20.9
345.07483	11.4
346.04572	0.7
346.08163	1.7
347.05469	23.4
348.05899	2.2
349.06903	0.6
349.10730	1.0
359.05508	0.2
359.09369	0.2
361.07056	4.8
362.07809	9.3
363.08359	1.0
377.10162	100.0
378.10541	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1454
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03921	1.9
55.01858	1.0
57.03440	10.2
59.04991	0.8
61.02931	5.1
63.92556	0.5
69.03429	17.5
69.79644	1.9
71.01355	3.1
71.04997	4.0
73.02914	2.9
74.78928	0.8
75.04476	3.4
81.03001	0.5
81.03416	4.5
87.04443	0.5
95.08631	0.5
99.04456	6.2
110.77956	0.5
117.05444	1.0
119.87639	0.5
130.06555	0.7
137.05959	2.3
145.07590	3.2
157.06320	0.7
163.07448	0.6
170.07112	2.0
172.08698	39.1
173.09023	2.0
174.10321	0.5
175.08708	0.7
179.10609	1.0
179.24986	0.5
184.08641	0.7
190.09723	1.8
198.06627	9.3
200.08186	7.1
202.30139	0.5
207.08060	0.6
214.09787	0.6
216.07683	22.0
217.08009	1.2
218.09219	1.0
229.08456	0.6
243.08771	85.6
244.07027	0.8
244.09201	4.8
316.12912	0.7
341.12939	0.5
359.13654	3.7
366.29904	0.6
377.14551	100.0
378.14841	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1595
Annotation	Tanegool
Peak:m/z	Relative Intensity
53.03949	0.8
55.01872	0.9
56.96566	0.9
64.10662	0.3
64.50954	0.4
65.03946	5.4
67.05507	2.3
69.03425	0.6
69.38541	2.3
71.01345	0.5
79.05491	0.7
81.07072	0.6
85.02897	0.7
91.05487	3.0
93.03406	6.8
93.07047	1.1
95.04986	2.0
103.05448	1.5
105.07043	1.6
107.04951	1.4
107.08613	0.6
108.02097	3.4
109.02887	0.6
109.06540	0.9
110.03680	0.7
111.04454	6.1
112.01585	0.4
112.21066	0.3
115.05482	0.6
117.07035	0.9
119.04941	1.7
121.06519	1.2
121.10099	0.5
122.03667	0.7
123.04404	0.4
123.08074	0.6
125.05993	7.5
128.06233	0.6
129.06982	2.8
131.04948	1.2
131.08542	0.9
133.06488	0.7
133.10123	0.7
135.08052	5.8
136.01585	0.5
137.05977	11.2
138.06364	0.4
141.05431	2.9
145.06514	0.8
146.07256	1.1
147.08073	1.0
148.05263	0.8
148.37137	0.4
149.05972	2.8
151.03915	100.0
151.05011	10.5
151.07500	7.9
152.04233	3.6
153.05466	15.8
153.06711	0.9
153.09073	0.6
154.05769	0.4
157.06508	1.0
159.08231	0.4
161.05983	14.3
161.09595	3.5
162.06448	0.6
163.07549	8.1
163.75565	0.4
165.05495	1.8
165.06876	0.8
165.09181	0.8
167.08556	0.7
174.06783	1.3
175.07550	1.8
177.05563	1.9
177.09093	2.0
178.07787	0.8
179.07014	1.1
179.08459	0.5
181.06494	0.4
181.08621	1.4
187.07596	0.5
189.05449	0.7
189.09099	12.7
190.09457	0.7
191.07045	10.0
192.07419	0.7
193.06786	0.5
193.08580	2.3
193.10162	0.8
195.08208	0.9
195.10207	3.9
197.09636	0.5
205.08618	0.8
207.10168	14.3
208.10614	0.7
209.05905	0.4
210.06761	1.2
211.07552	0.8
215.14519	0.6
216.07953	0.5
217.08514	0.6
221.06071	0.9
221.09575	2.1
223.07585	0.9
224.08287	1.2
225.09067	2.2
227.07222	0.9
227.10643	1.4
235.07613	0.8
235.09659	4.8
237.09279	0.7
238.06190	0.5
238.10013	0.5
239.02391	0.5
239.07010	0.8
239.10739	0.7
240.07846	0.6
243.08855	1.1
248.08359	0.8
249.09125	1.2
251.10611	0.6
253.08551	3.1
253.12364	2.1
254.09319	0.4
255.06621	1.6
255.10129	1.2
265.08780	0.4
266.09583	0.4
267.10123	1.3
268.07294	1.7
269.07849	0.6
270.08923	1.9
272.10614	0.4
276.07935	0.4
277.08853	0.6
281.08469	0.5
281.11740	2.1
283.09714	4.2
283.13297	2.1
284.10303	0.4
285.11221	5.1
287.12842	2.1
291.10211	1.1
297.11237	1.3
309.11288	1.4
311.12775	1.4
313.10715	4.3
313.14389	3.9
314.11020	0.5
314.14471	0.5
323.12900	0.6
329.13852	4.1
330.14539	0.5
331.15344	2.7
341.13846	6.2
342.14114	1.1
347.14911	1.7
359.14905	13.7
360.15350	1.8
377.15863	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1594
Annotation	Tanegool
Peak:m/z	Relative Intensity
51.99725	0.6
53.03955	0.9
62.01191	0.5
65.03934	5.7
67.05505	2.5
70.56769	1.6
76.13125	0.6
77.03937	0.6
91.05466	2.8
93.03399	6.9
95.04960	2.0
95.10339	0.6
99.40471	0.6
101.40977	0.6
103.05516	0.6
105.07024	1.6
107.04964	1.1
108.02075	2.9
110.03650	0.6
111.04446	5.6
115.05475	0.6
119.04948	1.4
121.06438	0.7
125.05999	7.3
128.06223	1.1
129.06979	1.7
131.04953	1.2
131.08557	0.7
133.06427	0.8
135.08057	4.2
136.01595	0.6
137.05981	10.9
141.05470	2.2
145.06477	1.1
146.07280	0.7
147.08054	1.0
149.06007	2.3
151.03909	100.0
151.05009	11.3
151.07500	8.4
151.17152	0.6
152.04263	3.1
153.05461	17.3
157.06493	1.6
158.74031	0.6
161.05981	15.1
161.09590	3.9
163.07526	7.6
165.05458	2.1
165.06866	1.0
167.08591	0.9
174.06770	1.3
175.07541	1.6
175.85527	0.5
177.05493	2.0
177.09146	1.9
179.07040	0.9
181.08638	1.4
189.05522	1.0
189.09105	13.2
191.07013	9.5
193.06763	0.6
193.08636	2.1
193.10219	1.0
195.08237	1.4
195.10197	4.9
197.64919	0.7
207.10159	15.4
210.06726	1.2
217.08527	0.7
221.05992	1.3
221.09702	2.1
223.07639	0.8
224.08424	1.2
225.09167	2.2
227.06984	0.9
227.10724	1.5
235.09607	5.0
237.09174	0.6
240.07932	0.9
249.09157	1.0
251.10750	0.9
253.08597	2.9
253.12227	1.8
255.06532	0.9
255.10188	1.2
267.10037	0.8
268.07358	1.2
270.08923	1.8
279.10318	0.6
280.26959	0.6
281.08240	0.6
281.11642	2.6
282.12189	0.6
283.09702	4.4
283.13266	1.8
284.10263	0.8
285.11166	4.2
287.12784	2.1
291.10214	1.4
297.11356	0.8
309.11212	1.3
311.12787	1.1
313.10660	5.0
313.14374	4.8
323.12668	1.3
329.13824	3.7
331.15417	3.6
341.13828	7.5
347.14825	1.5
359.14865	15.1
360.15146	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1592
Annotation	threo-Guaiacylglycerol beta-coniferyl ether
Peak:m/z	Relative Intensity
53.03939	2.8
55.01859	4.2
65.03924	4.2
67.05493	3.3
69.27225	10.1
71.01347	7.0
77.03931	2.8
79.05483	16.8
91.05478	12.9
93.03394	4.1
95.04955	7.2
103.05465	26.8
105.04520	1.6
105.07011	10.7
107.04954	70.0
107.08602	2.1
108.02121	2.3
108.05265	2.9
115.05437	7.0
117.03323	1.6
118.04133	5.2
119.04955	3.9
120.05716	2.9
121.06525	8.9
122.03563	1.8
123.04420	6.2
124.05203	2.2
125.05970	4.4
131.04936	9.1
131.18637	1.6
133.02863	6.4
133.06477	3.2
135.04405	13.7
135.08061	16.9
137.05960	25.1
138.06728	5.5
141.05415	2.1
145.06413	2.3
146.03606	2.8
146.07205	1.7
147.04379	5.2
149.05972	18.2
150.06740	7.0
151.03903	100.0
151.04990	8.2
151.07448	3.6
152.04269	4.9
153.05493	9.2
161.05989	17.1
161.09630	4.7
163.03856	6.3
163.07538	93.3
164.07971	4.8
165.05452	5.1
166.06067	1.5
167.07021	7.6
174.06779	2.0
175.07669	2.0
177.05406	5.5
177.09157	2.2
178.06239	24.3
179.06981	6.6
181.08589	44.7
182.09303	5.7
189.05447	3.3
189.09126	9.0
191.06903	2.6
195.06508	9.7
195.31302	1.9
196.07253	13.6
204.15765	1.9
207.10173	10.7
235.09755	2.0
283.09848	2.0
309.03571	1.9
312.02951	2.0
313.10776	2.7
327.12183	5.2
329.13785	3.6
341.13391	2.7
359.14581	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1593
Annotation	threo-Guaiacylglycerol beta-coniferyl ether
Peak:m/z	Relative Intensity
51.75504	0.6
53.03942	1.5
53.04664	0.7
55.01863	2.6
59.60812	0.6
64.23086	0.6
65.03932	5.3
67.05500	1.7
68.63483	0.6
70.51189	2.2
71.01349	2.5
77.03921	1.1
79.05499	5.7
81.07074	0.9
81.08555	0.7
85.02928	1.2
91.05470	7.1
93.03406	5.4
93.07065	1.3
95.04971	4.0
103.05476	9.8
104.86806	0.6
105.04533	0.6
105.07053	4.2
106.22942	0.7
107.04957	31.5
107.08576	1.0
108.02066	3.2
108.05228	1.0
109.06535	1.1
110.03635	0.9
111.04440	5.6
115.05449	3.7
117.07018	2.1
118.04169	1.9
119.04953	2.0
119.08599	0.7
120.05750	1.1
121.06486	5.3
122.03665	1.7
123.04451	2.2
125.05984	7.5
129.07002	2.0
131.04948	3.5
131.08565	1.8
133.02858	3.0
133.06477	2.5
133.10138	0.7
135.04431	4.8
135.08051	9.6
137.05969	19.4
138.06696	1.5
141.05467	2.0
145.06519	1.2
145.07581	0.9
146.03627	1.7
147.04414	3.0
147.08073	1.3
149.05981	8.8
150.06729	1.9
151.03906	100.0
151.05003	9.9
151.07481	7.0
152.04242	3.7
153.05457	13.8
157.06467	1.0
161.05980	14.5
161.09595	4.4
162.06436	1.0
163.03981	1.5
163.07536	42.3
164.07930	2.0
165.05487	2.9
165.06844	0.7
166.95940	0.6
167.07068	3.7
174.06757	1.2
175.07594	1.1
177.05466	3.8
177.09131	1.9
178.06271	8.0
179.07022	3.1
181.08591	18.7
182.09238	2.2
186.10318	0.8
189.05424	1.8
189.09122	11.8
191.07018	6.2
193.08641	2.1
193.10214	0.8
195.06516	3.7
195.08382	0.7
195.10054	3.5
196.07323	5.3
207.08281	0.5
207.10146	11.9
207.11977	1.0
208.10553	1.2
210.06822	1.1
221.09624	1.1
223.07538	0.8
224.08327	0.8
225.09254	1.2
235.09587	4.3
238.06218	0.9
240.07782	0.9
249.09035	1.2
253.08653	2.3
253.12225	1.5
255.06572	0.9
255.10036	0.9
257.10376	1.0
268.07217	1.1
276.62640	0.8
279.10248	0.7
281.08392	0.8
281.11676	1.8
283.09604	2.8
283.13065	1.5
285.11255	2.3
287.12796	1.8
291.10114	1.1
309.11252	0.9
311.12805	1.2
313.10690	2.9
313.14319	3.7
319.82190	0.8
327.12238	1.7
329.13812	4.2
331.15274	1.2
341.13818	5.2
342.13983	1.1
347.14771	1.2
359.14871	10.5
360.15054	1.1
377.15958	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01868	4.0
55.05513	2.0
57.03436	1.2
57.07066	1.5
59.64307	0.8
63.02402	0.7
65.03933	3.2
67.05506	4.8
67.87363	0.8
69.03426	1.2
69.07066	1.2
70.51034	1.8
70.51376	1.3
71.01357	8.3
77.03925	2.1
79.05496	15.5
80.05829	1.0
81.03423	1.7
81.07037	4.4
83.08611	1.5
85.02901	6.0
89.03871	1.0
91.03946	1.2
91.05482	12.5
93.03407	3.1
93.07059	2.3
94.04189	1.3
95.04971	6.8
95.08611	5.7
97.10188	1.1
99.93952	0.8
103.05464	26.3
105.04530	0.9
105.07031	10.1
106.04158	1.3
107.04952	79.7
107.08588	2.3
108.02071	1.7
108.05325	2.5
109.02831	0.9
109.06546	1.2
109.10143	5.5
110.03670	1.3
111.04461	2.0
115.05463	8.8
116.06301	0.9
117.07008	3.5
118.04173	2.0
119.04946	3.5
120.05711	1.8
121.06506	12.5
122.03691	1.3
123.04409	5.1
123.11698	5.4
124.05172	1.8
125.05979	6.8
127.03938	2.2
129.06999	1.3
131.04918	7.1
133.02850	4.6
133.06490	2.8
135.04413	12.5
135.08055	17.4
136.08424	1.2
137.05969	30.1
137.13248	2.4
138.06728	3.9
141.05476	3.2
145.04997	1.7
145.06522	1.4
145.07581	1.6
146.03638	3.7
147.04437	6.4
147.08023	1.3
148.05211	1.9
149.05977	15.8
150.06769	5.3
151.03911	100.0
151.04999	7.1
151.07451	5.2
152.04207	2.3
153.05481	11.0
161.05978	17.5
161.09625	4.3
163.03928	6.6
163.07538	94.7
164.07922	3.8
165.05490	5.7
167.07076	9.0
174.06781	1.0
175.07581	3.2
177.05493	6.3
178.06253	22.4
178.07782	1.7
179.07033	7.5
179.17953	3.9
181.08598	50.1
182.09334	6.6
189.05464	3.3
189.09106	11.1
191.07040	3.0
195.06528	12.4
195.10056	1.2
196.07310	16.0
197.19005	1.0
207.10144	8.7
217.08565	1.9
235.09589	1.4
249.14577	1.1
283.09634	2.4
283.12967	0.9
311.12738	2.1
327.12250	3.5
329.13760	5.3
341.13828	1.8
347.14883	1.2
359.14780	3.1
394.75696	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1595
Annotation	threo-Guaiacylglycerol beta-coniferyl ether
Peak:m/z	Relative Intensity
53.03950	2.8
55.01870	5.7
55.05520	0.9
65.03945	4.1
65.23647	0.9
67.05515	2.7
69.53120	4.3
71.01350	8.1
72.43665	0.8
77.03924	1.0
79.05495	13.0
81.39333	0.7
87.31846	0.9
91.05485	9.6
93.03430	2.8
93.07053	3.6
95.04967	7.1
95.08629	1.1
103.05473	25.0
105.07024	9.5
107.04959	71.1
107.08611	1.8
108.02094	2.6
108.05271	1.9
109.02905	1.1
109.06506	1.1
111.04455	3.0
115.05471	8.3
117.07038	3.1
118.04120	2.6
119.04168	0.8
119.04959	4.2
120.05737	3.1
121.06510	9.9
122.03654	1.8
123.04432	5.3
124.05238	1.8
125.06008	6.0
131.04922	8.9
131.08592	2.5
133.02876	5.5
133.06541	2.9
135.04424	11.1
135.08061	16.3
137.05980	25.6
138.06740	3.8
141.05498	2.4
145.06578	1.5
145.07672	1.8
146.03648	2.4
146.07260	0.9
147.04413	6.5
147.08057	1.2
148.05190	1.1
149.05995	16.4
150.06781	5.4
151.03917	92.4
151.04997	8.4
151.07523	4.7
152.04259	4.0
153.05476	11.2
161.05986	15.8
161.07211	1.4
161.09581	4.3
163.03938	6.8
163.07545	100.0
164.07904	4.2
165.05507	6.1
165.09135	1.0
167.07042	7.7
173.72733	1.0
174.06778	2.6
175.07607	2.7
177.05513	7.6
177.09044	1.0
178.06264	24.6
178.07776	1.8
179.07019	7.4
181.08598	46.9
182.09270	4.7
189.05472	2.5
189.09109	10.1
191.07063	2.5
195.06525	11.6
195.08112	0.9
196.07288	14.0
207.10139	8.7
208.10707	1.0
235.09636	1.6
279.09930	0.9
283.09747	2.0
283.13242	1.8
297.11395	1.3
309.11127	1.3
311.12845	2.1
313.10687	1.0
327.12244	3.8
329.13849	3.9
341.13803	1.3
359.14914	4.0
377.16302	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.1
55.01870	5.2
59.20001	0.8
64.74847	0.8
65.03938	4.0
67.05507	3.2
67.78659	0.8
71.01353	6.5
77.03941	1.2
77.12577	0.9
79.05494	16.6
91.05477	13.5
91.06020	1.7
93.03404	2.6
93.07056	5.9
95.04968	7.9
103.05470	27.7
105.04555	1.1
105.07037	9.6
107.04952	76.9
107.08602	1.6
108.02106	2.9
108.05267	1.9
109.02896	1.1
111.04443	2.1
115.05450	9.2
117.03388	1.6
117.07019	3.0
118.04179	2.8
119.04940	4.2
120.05711	2.3
121.06512	9.9
122.03693	2.0
123.04420	3.5
124.05284	1.5
125.05987	5.9
129.07001	1.2
131.04930	8.9
131.08572	1.2
133.02853	5.1
133.06467	2.8
135.04416	12.4
135.08055	15.7
137.05969	26.0
138.06873	4.3
140.14442	0.9
145.06523	1.3
145.07591	2.6
145.21089	0.9
146.03616	3.4
147.04416	6.5
147.08115	1.6
149.05969	17.1
150.06795	4.3
151.03909	100.0
151.04997	7.8
151.07474	4.9
152.04295	2.8
153.05447	10.5
153.12729	1.5
161.05968	16.1
161.09581	4.8
163.03917	6.2
163.07541	98.8
164.07953	3.6
165.05461	4.0
166.06279	2.3
167.07014	7.0
174.06764	1.6
175.07518	2.2
177.05511	6.8
178.06259	22.6
179.06995	7.9
179.15308	1.0
181.08591	47.8
182.09372	6.2
189.05486	3.8
189.09082	10.3
191.07060	1.7
191.32080	1.0
195.06520	12.4
195.10213	1.3
196.07297	15.3
197.07690	1.3
207.10158	6.2
235.09686	1.4
257.46466	0.9
268.07288	1.2
283.09756	3.3
283.13254	1.9
309.11127	1.6
311.12704	2.2
327.12271	5.3
329.13861	5.6
341.13885	1.3
347.14203	1.1
359.15179	2.2
363.30209	1.1
377.15918	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1594
Annotation	Tanegool
Peak:m/z	Relative Intensity
53.03943	0.7
53.75245	0.3
55.01863	1.5
56.77048	0.3
56.96556	0.8
65.03938	4.9
67.05502	2.5
69.79906	1.2
76.77294	0.4
77.03957	0.3
79.05480	1.0
80.02634	0.5
80.54616	0.3
90.15726	0.4
91.05478	3.2
93.03410	5.7
93.06996	0.4
95.04971	1.8
99.20653	0.4
103.05461	1.0
105.04513	0.4
105.07030	1.3
107.04971	1.7
107.08624	0.5
108.02104	3.0
109.02872	0.4
109.06533	0.8
110.03629	0.6
111.04434	6.1
112.01539	0.5
117.06999	1.0
119.04951	1.6
119.08551	0.5
120.05731	0.5
121.06506	1.5
122.03664	0.7
123.04462	0.4
123.08059	0.5
125.05991	8.8
125.06829	0.7
128.06174	0.6
129.07031	2.4
131.04939	1.5
131.08546	0.4
133.06500	1.1
135.08029	4.2
136.01543	0.4
137.05975	13.0
138.06342	0.9
141.05466	2.3
144.05798	0.4
145.06493	1.1
146.07219	1.0
147.04358	0.6
147.08047	0.7
148.05238	0.7
149.05986	2.6
151.03912	100.0
151.05002	9.7
151.07501	8.1
152.04257	3.3
152.05312	0.6
153.05467	15.7
153.35898	0.4
154.05780	0.5
157.06453	1.8
159.08078	0.5
160.05185	0.4
161.05978	14.0
161.09621	4.2
162.06384	0.8
163.07545	8.5
165.05493	2.1
165.07001	1.0
167.07025	0.6
167.08495	0.5
174.06805	1.5
175.07523	1.2
177.05504	2.4
177.09050	2.0
178.07782	0.4
178.77663	0.4
179.07011	0.9
181.06438	0.5
181.08606	2.0
187.07498	0.4
189.05562	1.0
189.09119	12.8
190.09451	0.9
191.07036	9.0
192.07503	0.8
193.06650	0.7
193.08583	2.4
193.10164	0.9
195.08049	1.0
195.10196	4.0
202.07780	0.5
205.06581	0.5
205.08537	0.9
207.08139	0.7
207.10155	14.4
208.10515	0.9
209.07970	0.5
210.06816	1.1
211.07518	1.0
217.08548	0.8
219.08174	0.5
220.08807	0.5
221.05960	1.6
221.09634	1.8
222.10510	0.4
223.07707	0.7
223.09630	0.9
224.08234	0.8
225.09108	2.6
227.10660	1.0
235.09612	4.7
237.09120	0.7
238.06097	0.6
239.06989	0.8
239.10625	0.6
240.07982	0.7
241.08588	0.8
248.08380	0.7
249.09059	0.8
250.09779	0.4
251.10623	0.5
252.07913	0.7
253.08553	2.6
253.12477	1.8
254.09100	0.5
255.06549	1.1
255.10216	1.7
263.10828	0.6
265.08749	0.6
267.10123	0.7
268.07346	1.4
270.08914	1.5
271.09491	0.6
272.10413	0.6
281.08536	0.5
281.11719	2.4
282.08792	0.5
283.09695	3.4
283.13287	1.8
284.10254	0.5
284.13702	0.4
285.11276	3.9
287.12769	2.0
291.10178	0.7
295.09787	0.6
297.11139	1.3
301.14282	0.6
309.11288	0.5
311.12726	1.2
313.10687	4.5
313.14383	4.6
323.12958	0.5
329.13837	4.0
330.14261	0.4
331.15475	2.7
341.13840	6.8
342.14124	0.7
347.14963	1.3
359.14899	15.0
360.15259	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82627	1.1
61.02902	1.9
62.48325	1.1
62.49787	1.3
66.04691	1.2
68.00809	1.3
69.03432	2.0
70.00812	3.5
70.01155	2.4
70.06591	2.3
74.88110	1.2
81.03397	1.4
85.02910	4.8
86.03275	1.2
91.05470	17.5
94.04198	2.0
95.04971	1.5
95.92386	1.1
98.23264	1.5
103.05476	2.2
107.04963	1.7
119.04933	23.7
121.06499	2.3
122.03638	4.1
131.04916	4.7
136.05215	2.6
137.05966	100.0
138.06290	14.5
145.04953	1.4
151.03946	1.9
151.07530	32.4
153.05421	1.4
163.07532	2.3
179.07016	3.5
180.07372	4.5
181.08595	39.3
182.08948	2.3
199.09644	5.3
377.07806	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68071	1.8
53.03937	5.0
55.01867	5.9
57.03434	2.4
65.03930	3.7
67.05497	4.1
71.01353	6.9
78.99661	2.0
79.05480	13.7
91.05478	12.7
93.03408	2.1
93.07053	2.7
94.38752	2.3
95.04964	8.2
95.06723	2.0
103.05464	23.6
105.07059	10.8
107.04956	77.1
108.05311	2.6
111.04454	2.6
111.62466	2.1
115.05460	7.4
118.04160	3.6
119.04963	5.1
120.05728	3.2
121.06501	10.4
123.04437	6.5
123.56638	2.3
125.06008	7.6
128.04239	1.9
131.04950	11.7
133.02850	5.3
133.06471	4.0
135.04402	13.2
135.08096	14.4
137.05977	27.5
138.06746	3.9
141.05461	2.6
146.03661	3.1
147.04401	8.4
149.06017	13.8
150.03044	2.4
150.06749	5.2
151.03917	100.0
151.05022	9.7
151.07516	6.1
152.04300	3.3
153.05479	12.6
161.05991	15.7
161.09709	2.2
162.06749	2.6
163.03894	8.4
163.07532	95.2
164.07878	3.8
165.05464	4.9
167.07018	10.0
175.07556	3.6
177.05437	7.2
178.06236	22.8
179.06984	9.2
181.08609	47.8
182.09332	5.6
189.05522	2.5
189.09105	14.1
191.07062	2.7
195.06477	14.6
196.07272	12.1
197.08072	2.3
207.10219	8.4
215.71562	2.2
223.07455	2.0
283.09720	3.8
294.52048	2.3
327.12286	4.7
329.13684	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.196
Annotation	Sauriol B
Peak:m/z	Relative Intensity
53.03941	1.2
55.05507	2.0
55.99202	0.8
67.05509	2.3
69.03434	1.1
69.07073	4.3
69.17900	6.1
76.63898	0.7
78.04720	2.8
79.05505	6.5
79.85437	0.7
80.61156	0.7
80.77370	0.8
81.07059	2.4
83.04983	3.7
83.08573	0.9
91.05495	4.6
93.07040	3.8
95.04981	2.3
95.08611	3.5
103.05473	2.8
105.03366	1.0
105.04504	0.8
105.07040	5.0
106.04159	0.8
107.04957	10.7
107.08578	2.2
108.05772	0.9
109.02851	1.1
109.10155	1.4
110.03667	4.4
111.04441	2.9
111.08132	1.3
117.07019	3.1
119.08582	3.0
121.06527	5.0
123.04445	14.6
123.08059	0.8
124.05175	1.7
125.05993	1.7
128.06151	0.8
129.07028	1.8
130.07802	2.2
131.04950	3.9
131.08621	1.8
132.10185	1.2
133.10103	4.0
134.03622	2.2
135.04430	2.8
135.08069	4.7
137.05977	11.2
137.09616	0.8
138.03111	9.6
139.07550	2.7
140.04672	1.9
143.08578	3.8
145.06439	4.3
145.10112	14.2
147.11639	0.9
148.05206	1.9
149.05995	7.2
149.09691	1.2
151.03903	2.2
151.07559	1.2
152.04691	3.2
153.05467	100.0
154.05779	4.0
155.08546	1.8
157.10159	1.4
158.07254	1.6
159.11743	1.1
161.03351	0.9
161.05991	1.1
162.06766	1.9
163.07552	12.4
163.11188	6.6
165.07022	0.9
166.06300	0.9
167.07048	71.2
168.07399	5.1
169.08105	1.6
169.10217	1.1
173.09608	10.9
175.07574	1.8
176.08324	3.3
177.09085	1.6
177.12723	3.8
179.08597	1.6
180.09300	1.8
181.08598	2.6
181.10158	2.2
183.11694	2.6
185.13240	1.5
187.11234	1.2
189.07056	0.8
190.09772	0.9
191.10681	25.2
193.10156	2.7
195.11708	4.4
197.13287	2.3
201.09131	1.1
205.12251	26.7
206.12567	2.3
207.11723	2.3
208.12418	0.9
209.13277	1.8
211.14934	1.8
217.10034	0.9
219.11740	1.1
220.12379	1.5
221.13362	1.5
223.13234	17.6
224.13618	1.3
235.14857	2.9
237.14729	20.3
238.15146	0.9
239.17885	1.1
249.16339	2.0
251.17917	1.3
263.17950	3.4
265.19363	1.0
275.17905	1.0
277.19510	1.3
278.20135	4.0
279.20874	0.9
345.16296	3.4
377.19458	13.0
377.24695	12.7
378.19446	1.0
378.24988	1.5
378.32184	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56250	0.5
53.03943	0.7
54.80009	0.5
55.05511	2.9
55.57186	0.4
67.05511	2.8
69.07069	1.5
69.12432	4.3
69.12769	0.9
70.12379	0.5
78.72686	0.4
79.05485	1.7
79.28761	0.4
81.07050	2.1
83.04982	7.1
88.11280	0.6
91.05478	2.8
93.07061	3.6
95.04946	1.1
95.08601	5.7
97.06539	0.6
98.22920	2.0
105.07034	4.6
105.82814	0.5
107.04978	0.7
107.08604	2.9
109.06519	0.8
109.10153	2.0
111.04448	3.8
111.08085	1.4
115.05482	0.6
117.07030	2.2
119.08592	5.1
121.06488	1.3
121.10143	1.5
123.08087	0.8
123.11705	0.9
128.06221	6.3
129.07022	2.6
130.07784	0.6
131.08542	2.3
133.10133	3.7
135.11691	0.6
139.07507	0.6
141.06984	2.0
142.07771	6.1
143.08560	40.1
144.08940	1.5
145.10123	3.4
147.08061	1.4
147.11682	1.0
149.09669	0.5
153.05487	3.1
153.06973	1.3
154.07733	1.4
155.06052	0.6
155.08549	3.5
156.09355	1.0
157.10097	2.9
159.11731	2.2
161.09685	0.6
165.06995	1.5
166.07813	0.9
167.07034	2.0
167.08568	2.7
168.09309	2.4
168.92012	0.5
169.10126	4.6
170.10881	1.1
171.10207	1.0
171.11690	19.8
172.12074	0.9
179.08578	3.1
180.09312	1.2
181.10080	4.0
182.10890	1.0
183.08189	0.7
183.11693	23.4
184.12271	2.5
185.13252	2.2
189.12845	0.7
191.10640	0.8
192.09271	1.1
193.10124	4.8
194.10928	2.3
195.11702	4.4
197.13255	2.8
205.10266	0.6
205.12180	0.8
207.11667	3.8
208.12485	1.9
209.13242	4.8
211.14828	1.7
219.11722	1.2
220.12427	1.0
221.13322	2.5
222.14027	1.7
223.14983	2.3
224.15337	0.7
235.14806	3.0
236.15585	1.3
237.16415	5.1
238.17183	1.1
239.17911	0.9
247.14720	0.6
248.15648	1.0
249.16376	3.9
250.16995	0.9
251.17955	1.0
261.16437	0.8
263.17938	4.1
265.19550	1.6
268.26288	0.7
277.19620	1.4
278.20251	4.3
334.40939	0.5
377.24738	100.0
378.20456	0.6
378.25098	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.0
56.15778	0.6
57.07071	0.9
67.05513	3.2
68.42027	0.5
69.07061	1.3
74.79447	0.5
79.05486	1.7
81.07050	2.8
83.04983	7.0
91.05479	2.5
93.07057	3.9
95.04972	0.6
95.08605	7.1
98.22648	1.5
98.23335	1.9
103.05468	0.5
105.07040	4.5
107.08582	2.7
107.82885	0.6
109.06532	0.7
109.10153	1.6
111.03781	0.5
111.04431	3.0
111.08103	1.1
115.05489	1.0
117.07023	2.1
119.08564	5.2
121.06480	0.8
121.10152	1.5
123.08031	0.8
123.11745	0.7
128.06230	8.4
129.06992	2.3
131.08595	3.3
133.10139	4.1
135.08095	0.5
135.11662	0.8
139.07552	0.6
141.06941	1.7
142.07794	6.8
143.08565	51.7
144.08914	2.1
145.10092	2.9
147.08192	0.7
147.11694	1.3
153.05487	2.2
153.06949	1.2
154.07834	1.0
155.05975	0.9
155.08583	3.2
156.09294	1.2
157.10133	2.3
159.11697	2.2
161.09627	0.7
161.13223	0.6
165.06952	1.4
167.07043	2.0
167.08586	2.8
168.09340	2.5
169.10135	4.7
170.10924	0.7
171.11691	23.0
172.12080	1.1
173.13220	0.9
179.08585	2.4
180.09370	1.4
181.10098	4.0
182.10768	0.9
183.08131	0.9
183.11694	21.0
184.12291	1.3
185.13234	1.5
189.12854	0.8
189.16577	0.6
191.08554	0.5
192.09317	0.9
193.10097	3.9
194.10898	2.4
195.11758	4.4
196.12541	0.6
197.13200	2.7
199.14806	0.8
205.10149	0.9
205.12300	1.0
206.10915	1.2
207.11720	3.6
208.12477	2.0
209.13290	4.7
211.14807	1.8
219.11688	1.0
220.12587	0.9
221.13223	2.9
222.13925	1.0
223.14906	2.8
234.14073	1.2
235.14799	2.3
236.15608	0.9
237.16435	5.0
238.16975	1.3
239.18036	0.9
247.14944	0.8
249.16344	3.5
250.17072	1.0
251.17851	0.7
263.17966	3.3
265.19492	1.7
277.19473	1.6
278.20313	5.5
331.05334	0.6
377.10007	1.7
377.18048	2.6
377.24747	100.0
378.17706	0.9
378.25125	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82031	1.2
53.03937	2.4
55.05272	1.7
55.05512	20.6
57.03431	2.2
57.07070	1.4
63.24471	1.1
67.05182	1.3
67.05508	20.7
69.03410	2.2
69.07059	4.3
70.34676	3.4
79.05500	6.8
80.21104	1.5
81.07053	10.1
83.04983	56.6
83.08633	3.2
91.05483	19.1
93.07052	27.9
95.04967	6.6
95.08608	47.1
96.08954	3.1
97.06541	3.1
98.23276	1.2
99.04436	1.9
101.27125	1.3
103.05470	1.3
103.16603	1.4
105.07030	18.7
107.08595	9.4
109.02872	1.6
109.06515	3.5
109.10145	9.5
111.04459	27.7
111.08083	19.4
113.05984	5.1
115.05463	3.8
117.07002	10.0
119.08587	14.9
121.06508	3.4
121.10149	3.0
123.08074	11.5
123.11714	1.9
125.05972	2.6
128.06207	4.2
129.07008	9.7
130.07735	1.7
131.08582	19.0
132.09035	1.3
133.10139	66.3
134.10455	3.2
135.08044	2.4
137.06033	2.5
137.09618	2.3
139.07539	11.5
141.06917	6.7
141.09125	8.9
142.07774	5.7
143.08548	17.1
145.10135	13.5
147.08052	4.5
147.11673	7.9
152.06310	1.1
153.06976	4.4
154.07741	2.6
155.08536	16.1
156.09361	7.0
157.10114	11.4
159.11681	9.4
161.09622	5.6
161.13269	4.4
165.06975	14.0
166.07744	4.8
167.08562	15.7
168.09314	2.6
169.10146	13.4
170.10825	4.4
171.11694	16.7
173.09592	3.4
173.13239	6.3
175.11252	6.0
177.09128	1.7
178.07793	7.8
179.08559	18.5
179.10715	2.5
180.09343	15.5
181.10112	28.1
182.10777	5.8
183.11702	23.8
184.12251	2.0
185.13257	22.5
187.11189	3.3
187.14848	4.3
189.12723	5.1
191.08553	2.3
191.10657	2.6
192.09348	11.1
193.10147	29.5
193.12004	2.2
194.10948	8.6
195.11691	84.7
196.12207	8.4
197.13246	25.3
198.13725	2.9
199.14786	12.8
201.12923	1.5
205.10165	7.6
205.12256	5.2
206.10898	13.7
207.11688	28.3
207.13660	2.6
208.12360	4.4
209.13254	28.4
211.14842	29.0
212.15237	1.9
213.16425	1.4
217.10112	2.5
218.10957	3.8
219.11693	11.1
220.12469	12.3
221.13254	33.9
221.15323	2.8
222.13904	8.1
223.14815	29.3
224.15276	3.8
225.12788	2.2
225.16335	6.0
230.10783	2.0
231.11732	4.0
232.12379	3.0
233.13245	11.3
234.13983	7.2
235.14830	41.0
236.15422	9.9
237.16373	51.9
238.17082	9.0
239.14423	1.7
239.17978	14.8
245.13203	3.0
246.10355	1.4
246.13933	3.2
247.11156	2.7
247.14879	10.4
248.15570	4.3
249.16373	24.6
250.17119	5.5
251.17975	12.5
252.18494	1.4
259.11279	1.8
259.14819	3.7
260.15677	2.4
261.13019	2.1
261.16394	13.5
262.16995	2.5
263.17941	43.4
264.18463	7.3
265.19525	20.8
266.20126	3.0
267.21002	9.2
273.16434	2.2
274.17221	1.6
275.14697	1.8
275.17993	6.8
276.18671	2.1
277.19501	25.7
278.20294	55.0
279.20926	13.4
287.17871	1.6
288.18741	2.0
289.16321	2.2
289.19461	8.5
299.17899	3.4
301.19577	2.9
303.17599	2.3
303.21051	12.6
304.21707	2.9
307.17044	1.8
317.18973	8.8
317.22369	2.6
321.18655	1.5
331.24167	11.2
332.24405	1.6
334.19321	1.4
335.20071	4.9
341.22733	2.2
359.23703	13.4
360.23911	2.2
377.24744	100.0
378.25104	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.05267	1.6
55.05512	20.2
57.03432	1.0
57.07075	1.6
63.55521	1.0
65.03945	1.9
67.05504	20.7
68.57288	1.0
69.03416	2.3
69.06177	7.1
69.06593	2.6
69.07079	6.3
71.05003	1.5
77.03959	1.3
79.05495	9.0
79.85481	1.0
81.07055	10.3
83.04982	48.8
83.08605	2.6
85.06554	2.0
91.05478	17.0
93.07046	28.5
95.04964	5.9
95.08607	46.2
96.08959	1.7
97.06545	2.6
99.04471	3.2
101.25777	1.1
103.05442	1.8
105.06369	2.1
105.07028	22.9
107.04947	3.6
107.08597	12.1
109.02827	1.2
109.06504	3.4
109.10153	10.4
110.03657	1.4
111.04438	26.3
111.08081	15.2
113.06019	6.1
115.05457	3.5
117.07021	11.2
119.08579	13.8
121.06499	5.2
121.10163	4.9
123.04433	7.2
123.08076	9.6
123.11658	1.4
125.05990	3.1
128.06190	5.3
129.07024	8.2
130.07800	1.6
131.04984	1.9
131.08571	20.3
132.09105	1.0
133.06493	1.6
133.10132	56.7
134.10475	2.8
135.04370	1.6
135.08072	4.3
135.11720	2.6
137.05994	5.9
137.09613	3.2
138.03123	6.2
139.07541	11.4
141.06953	7.5
141.09050	6.0
142.07797	4.4
143.08566	20.2
144.09290	1.7
145.06511	1.6
145.10136	16.0
146.10428	1.2
147.08029	3.0
147.11688	6.1
149.05922	2.4
152.04672	1.2
153.05467	40.8
153.06958	7.5
154.05785	2.5
154.07761	1.9
155.08545	18.7
156.09344	6.5
157.10152	10.3
159.08031	1.8
159.11726	7.9
161.09598	6.4
161.13295	3.0
163.07576	5.2
163.11153	2.5
165.06999	13.5
166.07761	5.1
167.07043	26.5
167.08559	16.0
168.09337	3.9
169.10144	12.9
170.10886	4.1
171.11690	14.7
172.08739	1.4
173.09625	9.2
173.13229	5.3
175.11172	6.2
177.09084	1.5
177.12743	2.3
178.07782	6.3
179.08553	19.2
179.10701	1.6
180.09344	18.0
181.08658	1.8
181.10107	28.6
182.10864	3.9
183.11693	24.5
184.12315	2.8
185.13255	25.8
186.13680	2.1
187.11226	2.5
187.14842	4.6
188.11533	1.3
189.12762	3.4
191.08633	2.9
191.10692	13.2
192.09344	12.5
193.10123	31.3
194.10921	12.2
195.11691	75.8
196.12199	6.4
197.13272	25.6
198.13814	2.5
199.14830	14.0
203.08595	1.4
203.10564	1.1
205.10127	10.4
205.12254	16.9
206.10909	13.1
207.11693	29.1
207.13660	1.8
208.12466	5.4
209.13252	26.2
210.13698	1.2
211.14816	27.0
217.10080	3.0
217.12228	1.4
218.10951	3.2
219.11739	12.6
219.13771	1.8
220.12437	15.1
221.13252	35.6
222.13754	5.1
223.13229	4.2
223.14948	24.2
224.15428	2.4
225.12791	2.6
225.16356	5.3
231.11670	3.6
232.12497	2.2
233.13235	12.9
234.13974	6.7
235.14804	37.9
236.15482	8.8
237.16537	43.8
238.17088	9.6
239.14310	2.1
239.17957	11.9
240.18442	1.4
245.13213	3.7
246.14027	3.3
247.11171	1.6
247.14774	7.8
248.15480	4.2
249.16380	24.6
250.17027	7.1
251.17929	10.3
252.18495	1.8
257.15479	1.7
259.11121	1.2
259.14868	2.5
260.11975	1.3
260.15552	4.3
261.12793	3.3
261.16382	11.1
262.16891	2.5
263.17941	40.9
264.18408	5.6
265.19485	20.2
266.19980	3.1
267.21097	7.9
273.12915	1.4
273.16333	2.0
274.17276	1.1
275.14163	2.6
275.18051	5.9
276.18655	1.8
277.19519	23.9
278.20279	52.4
279.20889	14.2
288.18607	2.4
289.16339	1.7
289.19495	9.3
299.18027	1.8
301.19403	2.2
303.17630	2.1
303.21060	11.4
317.18988	6.1
331.20673	2.0
331.24152	9.6
332.24371	1.3
335.20178	5.1
341.22504	1.7
345.16064	1.8
359.19781	1.8
359.23709	12.9
377.24725	100.0
378.25226	13.6
378.32172	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.05507	2.2
57.03425	0.5
61.33926	0.3
65.03953	0.6
67.05507	5.7
69.07063	1.3
69.41721	2.4
72.91364	0.3
79.05490	4.7
81.07053	3.9
83.04982	3.3
83.08619	0.3
87.34168	0.3
88.61920	0.4
91.05476	5.3
93.07046	6.6
95.04953	1.0
95.08604	10.9
95.49496	0.3
96.08951	0.4
97.02869	0.4
97.06547	0.4
99.04485	0.4
103.05492	0.5
105.04543	0.3
105.06371	0.6
105.07034	6.8
107.08602	3.8
109.06526	1.0
109.10148	2.2
111.04454	1.4
111.08083	1.8
112.98352	0.3
113.06036	0.4
115.05484	0.9
117.07013	3.0
117.87151	0.3
119.08577	5.8
121.06494	1.0
121.10107	1.6
123.08076	1.3
123.11669	0.4
125.09668	0.4
127.57108	0.3
128.06215	2.8
129.07018	4.4
130.07767	0.5
131.08569	6.4
133.10127	4.2
134.10510	0.4
135.08051	0.4
135.11731	0.6
137.05901	0.4
139.07564	0.5
141.06990	3.7
141.09140	0.3
142.07761	2.4
143.08566	14.7
144.09207	0.5
145.06384	0.3
145.10130	3.2
147.08055	0.8
147.11699	1.1
152.06187	0.7
152.93849	0.3
153.06978	2.9
154.07767	2.4
155.08546	7.6
156.09338	1.5
157.10132	5.0
159.08015	0.6
159.11649	2.0
161.09654	1.2
161.13225	0.4
165.07002	4.4
166.07771	3.5
167.07062	0.5
167.08560	7.3
168.09340	5.0
169.10138	13.2
170.10768	1.7
171.11693	9.1
171.13101	0.7
172.12151	0.5
173.13304	1.0
175.11176	0.4
178.07692	1.6
179.08557	6.7
179.10826	0.3
180.09302	4.7
181.10115	14.6
182.10849	2.5
183.11688	25.5
184.12265	2.9
185.13252	2.0
187.11148	0.6
191.08667	0.4
192.09331	1.2
193.10120	9.4
194.10883	4.8
195.11697	16.1
196.12350	2.6
197.13266	5.4
198.13939	0.7
199.14781	1.0
205.10100	1.0
205.12077	0.4
206.10892	1.3
207.11693	7.0
208.12465	4.4
209.13242	12.4
210.13855	1.5
211.14780	2.0
212.15652	0.4
213.12953	0.4
218.10805	0.4
219.11685	1.4
220.12454	1.0
220.36668	0.3
221.13251	4.3
222.14069	3.8
223.14822	10.0
224.15294	1.0
225.16386	0.9
231.11705	0.4
232.12222	0.5
233.13194	2.0
234.13875	0.9
235.14784	3.7
236.15578	1.8
237.16370	26.9
238.16998	4.3
239.17902	4.8
240.18602	0.7
245.13026	0.4
246.13895	0.3
247.14818	1.1
248.15556	0.6
249.16325	2.9
250.17018	0.9
251.17964	1.1
253.15919	0.4
261.16345	0.8
263.17978	4.1
264.18484	0.6
265.19528	1.0
267.21091	0.4
275.17944	0.8
277.16119	0.3
277.19455	1.5
278.20261	3.4
279.20871	0.5
289.15872	0.4
289.19592	0.5
307.16745	0.5
331.24115	0.6
359.23587	1.1
376.59119	0.4
377.24738	100.0
378.25089	11.0
378.29892	0.6
379.19730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.05508	1.9
55.41980	0.3
57.45546	0.3
63.60716	0.4
67.05511	4.0
69.07066	0.7
69.11755	2.2
69.12164	0.7
71.05003	0.5
79.05502	2.8
80.50131	0.3
81.07063	3.2
83.05004	2.2
91.05492	4.0
93.07050	3.8
95.04980	1.1
95.08606	7.5
96.08919	0.3
97.06490	0.5
99.04472	0.5
101.82948	0.4
105.07038	4.6
107.08595	2.3
109.06536	0.8
109.10164	0.8
111.04457	1.0
111.08094	1.3
113.06021	0.6
115.05430	0.8
117.07041	2.3
119.08591	4.7
121.06474	0.4
121.10178	0.7
123.08089	1.0
128.06216	2.1
129.07025	2.7
130.07758	0.5
131.08583	5.4
133.10147	3.3
137.06024	0.4
141.06967	2.4
142.07779	2.2
143.08569	12.8
144.08948	0.7
145.06458	0.6
145.10129	2.5
147.08090	0.6
147.11697	0.5
149.05994	0.7
152.06227	0.5
153.07004	2.5
154.07777	1.7
155.08577	4.9
156.09320	0.8
157.10123	3.1
159.08034	0.3
159.11685	1.7
160.08815	0.3
161.09599	0.5
165.07014	3.4
166.07794	2.4
167.08568	5.6
168.09351	4.3
169.10126	6.6
170.10869	1.4
171.11691	6.9
172.12132	0.5
173.09605	0.4
173.13287	0.8
175.11217	0.5
178.07791	0.8
179.08559	5.2
180.09331	3.1
181.10129	8.9
182.10788	1.2
183.11700	25.3
184.12305	2.2
185.13272	1.0
191.08482	0.4
192.09325	1.0
193.10133	7.7
194.10899	4.3
195.11696	9.9
196.12476	1.6
197.13292	3.6
198.13875	0.4
199.14877	0.5
205.10139	0.5
206.10936	1.2
207.11717	4.3
208.12480	4.9
209.13252	10.4
210.13959	0.7
211.14825	1.0
219.11775	0.7
220.12518	0.4
221.13301	2.8
222.14064	2.5
223.14827	7.8
230.64561	0.4
232.12434	0.4
233.13216	0.9
234.14130	0.5
235.14810	2.1
236.15562	1.2
237.12808	0.6
237.16380	15.5
238.17023	2.7
239.17894	1.5
245.15085	0.4
247.14896	0.6
248.15601	0.6
249.16367	1.8
251.14215	0.4
251.17899	0.5
261.16400	0.4
263.17889	2.2
265.19687	0.4
275.17889	0.3
277.19492	0.9
278.20404	1.7
279.20737	0.5
289.15820	0.3
303.21103	0.5
307.16910	0.4
331.07883	0.5
359.20184	0.4
377.24765	100.0
378.25110	12.4
378.29736	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.8
55.01872	5.2
55.05507	15.0
57.03445	6.6
57.07078	12.4
61.02925	8.5
65.03947	4.4
67.05505	29.6
69.03432	15.5
69.07072	9.5
71.01361	5.5
71.05001	4.9
71.29144	4.7
79.05505	20.0
81.03416	5.7
81.07058	60.8
83.04983	2.8
83.08624	19.7
85.02905	100.0
85.43278	3.1
87.48749	2.4
91.03951	3.6
91.05502	10.9
93.07052	6.4
95.05000	7.1
95.08607	66.7
96.08946	3.6
97.02883	21.1
97.06548	5.3
97.10164	19.9
99.04489	3.6
103.05481	18.4
105.07026	13.5
107.04957	48.1
107.08614	8.1
109.02880	8.4
109.06513	4.3
109.10155	85.2
111.04435	3.4
115.05459	6.2
115.11195	2.9
117.07027	5.3
119.04989	4.1
119.08630	3.0
120.08070	2.9
121.06521	8.7
121.10142	5.0
123.04459	4.9
123.10808	5.0
123.11707	86.8
124.12045	4.6
125.06008	7.3
127.03899	19.4
127.26288	2.4
131.04980	4.4
133.02821	3.8
133.10178	5.1
135.04434	10.1
135.08040	27.6
137.05972	20.6
137.13255	31.7
138.06778	3.5
138.09166	2.9
145.04967	32.8
147.04378	4.9
149.06018	9.1
151.03918	64.4
151.05042	6.0
151.07541	6.1
153.05507	8.3
153.09123	4.1
161.06009	12.0
161.09572	4.5
163.03944	7.5
163.06075	11.5
163.07510	63.7
164.08034	3.9
165.07037	3.1
167.06999	5.5
177.05540	5.5
178.06273	14.4
179.06985	6.9
179.17966	52.4
179.19359	2.2
181.08585	35.0
187.15060	2.9
189.09135	6.4
195.06529	4.6
196.07411	7.7
197.18994	17.1
199.09698	3.8
207.10240	5.2
215.14410	2.7
284.09152	2.9
345.10959	5.2
377.17542	3.6
378.74646	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87921	1.1
55.05510	3.2
57.07079	93.7
58.07411	2.9
67.05507	1.6
68.07500	1.2
69.07069	9.4
69.13945	11.0
71.08634	90.0
72.08942	1.5
81.07043	1.3
83.08614	2.6
85.10188	47.7
87.04494	1.6
89.06035	100.0
90.06369	1.8
95.08603	2.1
99.11727	6.3
105.00069	2.3
107.07092	6.5
111.11700	2.1
113.13283	5.2
119.01654	3.3
125.13246	1.4
127.14854	3.3
133.08604	40.4
134.08905	1.3
143.08540	2.1
145.10138	1.7
151.09650	6.0
153.05490	7.5
167.07042	5.1
173.09642	2.3
177.11285	7.1
191.10687	2.5
195.12280	34.4
205.12352	1.7
223.13304	1.7
353.93069	1.3
377.24991	2.4
377.32352	4.5
378.32172	1.3
384.88553	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.4
69.03420	15.2
69.07070	4.0
70.59044	3.0
71.04997	3.7
71.29929	3.5
81.03393	3.7
81.07044	6.2
84.56355	3.1
85.02888	15.6
86.09699	4.7
91.05442	4.4
93.07051	3.7
95.04935	7.1
97.02877	6.4
99.04435	5.9
99.23769	3.7
107.01292	14.4
107.08578	4.9
111.04428	4.4
123.04398	13.3
129.37033	3.2
130.42740	3.0
135.00809	8.3
135.08061	5.4
137.05962	7.6
139.03937	7.9
140.04675	35.4
153.01767	3.8
163.07507	6.2
166.06187	3.7
167.03409	83.1
168.03587	4.5
172.08669	10.4
173.09039	7.4
179.07004	5.4
181.04947	9.3
181.08600	7.2
185.04485	6.0
199.04152	5.1
199.05978	100.0
200.06387	4.0
207.06554	10.2
207.10045	3.8
216.07617	4.2
243.08830	19.0
244.09154	23.5
245.16071	3.6
346.17007	3.7
378.14874	68.5
379.14944	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68731	6.7
69.16785	6.8
69.80788	11.1
69.81209	25.5
77.92817	6.7
80.52714	6.2
83.62991	7.0
85.02908	20.9
93.23769	7.5
95.05004	17.9
97.02874	11.5
123.04435	22.5
140.04694	100.0
147.04395	14.4
155.07016	49.1
169.02632	8.5
181.04944	9.7
199.06033	65.1
211.00150	7.6
233.02803	19.1
378.12064	13.5
379.06168	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68941	0.8
53.03941	1.8
55.01864	1.1
57.03427	1.7
61.02919	1.2
61.28332	0.9
69.03423	2.1
69.47681	4.3
79.05473	1.0
81.03421	1.7
85.02905	7.4
91.05475	10.1
93.03374	0.9
93.07037	10.7
94.68607	0.8
95.04972	1.8
96.88578	0.7
97.02902	3.9
98.22588	1.1
103.05442	6.8
104.71873	0.8
105.07029	1.1
108.02191	0.7
119.04935	2.6
120.05713	1.8
121.06506	15.1
122.06855	0.9
123.04469	1.0
125.05930	0.7
127.03915	1.2
131.04936	1.6
135.08034	1.2
137.05956	4.8
138.06592	1.7
145.04933	2.0
149.05983	4.8
151.03906	1.4
151.07443	0.7
153.05478	1.5
162.44730	0.7
163.07541	1.5
166.06229	11.5
179.06940	1.1
181.08586	100.0
182.08986	4.7
184.07277	1.1
199.09651	63.9
200.09995	1.9
209.08043	1.0
216.08714	1.0
219.34132	0.9
378.18015	0.8
379.09512	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.8
61.02927	1.6
61.86835	1.5
67.05508	4.8
69.03449	4.0
69.37846	2.9
69.38251	7.6
76.08290	1.5
79.05491	12.0
81.03388	1.6
81.07059	7.3
85.02892	13.6
86.03224	2.0
91.05462	9.8
93.07051	4.8
95.08610	6.2
97.02892	9.5
97.06554	2.7
105.07031	8.9
107.08601	41.5
109.06545	4.9
109.10172	7.2
111.04416	1.8
115.05477	5.1
117.07027	11.5
118.70720	1.8
119.06018	1.7
119.08476	2.1
123.04446	5.0
123.11720	2.8
125.09644	5.1
127.03922	2.8
131.08597	2.5
135.08054	100.0
136.08472	2.6
145.04973	2.1
148.25294	1.6
153.09109	27.2
155.10564	2.0
163.07538	84.6
164.07938	3.9
181.08609	36.4
181.10158	3.3
199.09645	35.8
258.36127	1.8
287.13388	1.9
336.82822	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	3.3
68.79368	1.7
69.03413	4.7
70.06591	2.9
70.80415	4.0
79.05479	2.4
85.02907	12.2
90.76200	2.3
91.05472	3.3
93.07021	4.0
95.04975	2.6
99.04462	2.4
103.05457	7.7
107.04897	2.6
107.08563	4.2
117.07016	1.9
119.04895	2.0
121.06456	3.3
122.03589	2.2
135.08047	4.3
137.05974	100.0
138.06300	4.1
145.06499	2.3
147.04417	4.5
151.07556	2.9
163.03790	1.9
163.07555	7.1
181.08606	31.1
199.09601	4.6
233.02800	3.6
364.21347	2.3
378.11554	3.6
379.10104	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
55.01887	1.1
58.97908	0.8
65.03927	1.3
65.06094	0.8
67.58367	0.8
69.02311	3.6
69.02729	3.2
69.03432	4.3
70.06586	2.8
79.05489	2.6
80.87218	0.8
81.03424	2.0
83.05001	1.0
85.02902	11.5
86.16569	0.8
86.87221	0.7
91.05473	8.7
92.05787	0.8
93.07039	12.5
95.04940	1.4
97.02887	3.4
97.05349	0.8
98.23438	1.4
103.05475	5.1
105.07022	1.9
107.04936	1.7
107.08588	4.4
109.02869	1.2
109.06541	0.9
113.62579	0.9
119.04940	2.6
120.05763	1.2
121.06504	16.9
125.05958	1.2
127.03896	3.0
135.08069	7.7
137.05927	4.7
138.06404	1.7
139.06407	1.0
139.24008	0.9
145.04987	1.9
147.04456	1.0
149.05966	5.2
151.03893	2.1
152.07857	1.3
153.05496	4.3
153.09102	2.4
163.07562	4.7
166.06241	8.3
181.08588	100.0
182.08939	3.9
184.07205	1.0
194.24245	0.9
195.10239	0.9
199.09651	60.0
200.09959	2.1
214.10687	0.9
242.32405	0.9
257.08688	0.9
324.29297	0.8
379.09064	3.0
379.21368	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	13.8
58.27002	2.6
60.38775	2.6
69.03425	5.1
69.07042	2.5
70.06566	3.8
77.15262	2.6
79.05484	5.4
80.45395	2.7
80.94452	3.0
85.02898	13.1
85.90668	3.1
91.05475	9.2
93.07040	9.5
95.04938	3.6
97.02892	4.6
99.04445	5.5
103.05450	17.9
110.07149	4.4
111.04450	2.6
111.62499	3.0
119.04956	7.1
121.06499	12.8
122.03688	5.5
127.03934	3.9
135.08061	6.2
137.05969	100.0
138.06349	4.1
147.04433	7.9
153.05463	4.2
163.07532	8.7
166.06218	3.8
177.09108	4.0
178.09421	6.3
181.08586	77.4
182.08867	4.8
199.09726	14.5
223.39183	3.4
233.02739	11.3
239.02240	4.0
263.33035	2.7
264.64835	3.2
279.92319	2.9
378.06747	3.6
378.11154	17.3
379.10068	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
55.01867	1.1
56.96576	2.0
57.03436	2.7
58.61600	0.9
59.22677	0.9
59.70559	0.9
65.11052	0.9
65.96571	1.0
68.74021	0.9
69.03434	3.1
69.05879	8.3
75.90699	0.9
76.63134	1.1
77.03908	0.9
79.05498	1.2
81.03417	1.1
81.85766	0.9
85.02908	14.3
91.05494	3.0
92.93069	1.2
93.03358	1.1
93.07046	4.8
97.02883	4.2
98.97586	2.6
103.05478	8.9
105.07062	2.1
107.04958	48.2
108.05253	1.2
109.02873	1.4
111.04436	3.2
121.06516	12.8
123.04443	1.3
127.03912	2.2
131.04933	3.9
135.04416	2.8
135.08061	8.8
137.05957	6.3
139.03891	5.8
145.04962	2.6
148.05180	6.2
149.05998	8.5
153.05478	6.0
163.03957	3.1
163.07538	17.0
181.08601	100.0
182.08989	4.9
195.92789	0.9
199.06000	1.4
215.05447	1.0
216.03305	3.0
216.05624	1.0
216.12428	1.1
217.05145	1.3
221.02849	1.6
222.03194	3.8
261.68423	1.0
361.09216	1.4
378.08624	24.6
379.09586	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	1.5
70.25719	2.9
77.10743	0.8
85.02898	1.3
86.07604	0.7
91.05470	2.5
95.04936	1.1
99.04467	3.6
107.04967	2.9
107.08561	1.2
121.06527	1.0
123.04438	1.6
137.05986	5.9
138.06767	1.3
140.03706	0.8
148.05170	12.1
151.03894	1.8
153.09058	1.5
161.06024	1.8
163.07520	2.2
181.08588	100.0
182.08939	4.8
199.09634	2.0
207.10147	1.2
251.74492	0.8
379.08636	1.9
379.13583	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.176
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	1.5
69.19352	7.8
70.77928	1.0
81.03417	1.5
85.02913	3.6
86.09777	1.5
91.05510	1.8
97.02924	1.6
119.04946	2.3
122.03673	2.6
123.04450	1.6
130.51154	1.2
131.04970	1.0
137.05977	100.0
138.06340	3.8
140.04700	4.1
144.44485	1.1
144.45732	1.1
147.04439	2.7
153.05501	1.0
155.07076	2.1
163.07565	3.0
169.02637	2.0
181.08595	9.6
181.60419	1.1
199.06029	3.9
205.08748	1.3
233.02629	6.4
363.80777	1.2
378.08554	11.8
379.09601	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47530	4.9
55.01894	5.5
55.27920	4.9
58.80162	6.4
65.03961	5.0
69.03403	4.8
71.29866	4.7
85.02911	8.2
91.05465	25.2
93.07068	6.2
95.04971	6.9
97.02888	4.8
103.05474	6.3
105.07030	8.5
106.10121	5.7
107.04953	10.8
107.08572	13.0
117.23252	4.5
119.04940	9.6
119.08596	5.3
121.06506	10.2
128.06319	6.3
129.07024	10.8
135.08060	11.4
137.05966	92.3
138.06342	11.6
147.04369	6.7
149.05963	9.1
151.03896	30.4
151.04967	5.0
151.07535	64.7
152.04247	21.3
153.05435	8.6
153.09091	10.5
157.06502	7.0
161.05960	98.6
161.09641	17.8
162.06311	8.1
163.07568	18.5
164.07906	6.6
174.06828	6.2
175.07590	11.6
178.07674	5.7
181.08594	29.9
189.09096	62.3
190.09392	6.9
195.08122	12.2
199.09828	8.5
207.10182	100.0
208.10564	7.9
221.09590	6.0
227.10692	16.6
249.09090	5.5
255.10301	11.4
285.11139	14.6
287.12836	42.7
313.14380	29.2
315.08624	6.2
331.15283	36.6
360.15332	7.1
379.08240	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43170	1.0
53.03950	1.3
55.01863	1.2
55.05513	1.4
57.03438	1.7
57.51507	1.3
58.04784	1.2
61.02931	1.8
61.40462	1.1
67.05508	1.6
69.03436	8.3
69.07067	10.2
70.47910	2.3
71.04956	1.4
73.02911	1.1
78.39033	1.1
79.05495	5.2
81.07063	20.0
85.02917	8.0
85.03394	1.6
91.05476	3.9
93.07050	12.8
95.08600	3.2
97.02882	2.9
97.06511	4.2
98.55570	1.1
99.55490	1.0
105.07047	7.1
107.08599	48.1
108.08900	1.9
109.06525	15.0
109.10163	2.0
111.11752	1.1
119.08550	2.0
121.10136	11.8
123.08063	3.1
127.03896	2.0
127.80944	1.1
135.11690	25.0
136.12103	1.2
137.09598	1.6
137.13242	1.7
139.11176	14.8
145.10132	10.0
153.12746	4.0
163.11186	46.4
164.11528	2.3
180.08557	1.3
181.12234	100.0
182.12511	5.4
199.13290	63.9
199.15155	2.6
200.13640	3.3
200.46512	1.2
202.12112	1.1
205.82501	1.1
209.73776	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.0
57.07074	5.1
59.62116	0.9
67.05498	2.6
69.03429	1.8
71.43982	1.0
79.05486	2.0
81.07040	4.4
83.05001	4.9
85.02858	2.4
85.06531	3.7
89.48241	1.0
91.05479	2.6
93.07040	5.6
95.04929	1.4
95.08601	7.4
97.02881	1.4
97.06510	2.1
104.29543	1.2
105.07011	3.3
107.08588	9.1
109.06519	3.0
109.10106	2.1
111.04436	48.9
112.04789	1.2
119.08563	3.1
121.06474	1.9
121.10084	1.4
123.08093	1.4
125.05994	12.9
127.07561	1.8
128.55632	0.9
131.08513	1.6
133.10141	2.3
135.08044	8.9
135.11707	10.9
139.07518	1.8
145.10126	10.0
153.12723	3.5
157.10173	1.6
163.11172	13.6
181.12227	100.0
182.12573	4.4
183.37225	1.0
189.16371	0.9
199.13272	31.6
200.13602	1.6
217.15886	1.3
230.10564	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.5
57.07066	3.0
63.83986	1.6
67.05506	12.2
69.07070	24.1
79.05486	4.5
81.07070	14.0
83.04990	3.2
83.08636	5.2
91.05477	7.5
93.07046	11.0
95.04990	2.9
95.08616	24.5
97.06592	1.9
98.22573	5.1
105.07026	8.9
107.04955	21.5
107.08596	7.5
109.06522	3.9
109.10161	14.0
111.08057	3.1
111.11702	3.4
117.07002	3.7
119.08565	6.0
121.06506	5.5
121.10120	4.5
123.08068	3.1
123.11718	11.3
129.06975	6.4
131.08598	9.5
133.06520	4.3
133.10130	12.6
135.04417	73.7
135.08012	3.7
135.11707	5.0
136.04770	3.7
137.05994	8.0
139.07510	2.3
141.06995	5.1
142.07771	2.4
143.08548	11.4
145.06424	2.3
145.10141	6.1
147.08060	6.9
147.11691	7.1
149.05966	12.7
153.05434	4.8
155.08563	18.1
157.06609	2.0
157.10172	11.6
159.08066	3.6
159.11705	4.9
161.05992	19.8
161.09641	7.8
161.13284	3.7
163.03912	95.3
163.07544	5.8
164.04306	4.1
166.07727	1.9
167.08597	3.3
168.09277	2.4
169.10107	10.7
170.10924	1.9
171.11681	2.9
173.13290	6.9
175.07549	61.7
175.11166	2.1
176.07933	4.2
177.05487	12.4
177.09140	7.0
180.09033	2.0
181.10153	9.1
182.10898	3.5
183.11696	17.8
185.09631	2.6
185.13292	16.0
187.07547	3.4
189.05498	20.6
189.07111	2.9
189.07385	2.9
189.09042	17.6
189.12767	2.5
191.07048	3.7
191.10689	6.8
193.10194	2.6
195.06523	51.2
195.11613	9.8
196.06779	1.9
196.12357	4.6
197.13274	24.2
199.14862	12.7
201.09105	2.0
201.16405	2.1
203.07018	38.3
203.10719	7.5
205.08463	2.8
207.11682	2.2
209.08098	3.1
209.13226	7.7
210.13667	2.4
211.14845	16.5
213.09134	2.2
215.07115	4.5
217.08621	20.6
219.10092	11.2
221.08087	9.9
221.13264	3.1
223.14804	6.2
225.16394	7.1
229.08640	2.3
231.10161	11.9
235.09627	36.0
235.14752	3.4
236.10066	2.2
237.16435	6.7
238.16966	2.8
239.17937	31.7
241.15907	4.2
245.08025	2.2
249.11235	5.9
249.16391	2.7
251.17880	4.5
259.16956	34.7
260.17279	2.5
263.09317	2.4
263.18030	2.4
265.19385	3.1
269.15417	2.2
277.10715	44.1
278.11151	2.7
279.20984	4.6
280.21866	2.8
283.16837	2.4
283.74203	2.1
285.14938	3.4
287.16425	100.0
288.16791	8.9
301.17923	17.8
303.21213	2.0
305.17499	3.0
305.23132	2.0
311.16409	4.2
319.19009	4.0
329.17465	7.1
348.09921	6.1
349.07016	4.4
361.25412	2.8
378.10477	2.5
378.25238	12.5
379.11829	16.5
379.26440	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98113	2.7
53.41439	2.7
70.48170	6.2
70.48502	5.6
71.04997	10.9
74.90024	2.8
79.05494	4.5
81.07061	9.2
91.05494	5.4
93.07045	12.8
95.04957	4.3
96.34124	2.6
99.04367	3.3
104.05826	2.9
105.07047	5.2
107.04967	9.9
107.08598	6.4
109.10191	3.1
113.77299	2.9
115.05538	3.5
121.06471	3.8
123.08074	3.3
135.08119	4.1
135.11707	15.4
137.06001	5.8
149.05952	3.2
149.83934	3.2
151.03961	13.6
152.04173	7.1
153.05479	3.0
153.12752	100.0
154.13060	3.6
154.45807	2.8
163.07605	6.6
164.07864	5.2
167.07053	3.7
179.06612	3.6
181.08638	5.6
182.08936	5.5
196.07286	3.8
226.09685	3.0
379.08261	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.0
59.39705	0.7
60.53166	0.7
67.44350	0.9
69.18156	6.8
85.02905	1.4
91.05487	1.1
95.08654	0.8
98.22651	1.8
98.97544	1.0
107.47852	0.9
111.08150	1.0
137.09628	1.4
147.04428	1.6
161.61795	0.9
165.09186	1.7
181.08531	1.1
182.08929	1.2
183.10246	3.0
185.04243	3.2
199.14871	1.1
201.11142	1.8
217.04781	2.3
301.07184	1.3
313.07034	1.4
356.91150	0.9
379.10025	100.0
380.10367	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99447	0.3
69.03423	0.5
71.29388	0.4
81.07077	0.4
85.02894	0.5
97.09317	0.3
107.08589	0.5
109.06554	0.4
157.10085	0.3
177.05536	0.5
183.10150	0.3
185.04221	2.8
198.02237	0.3
199.09679	0.4
199.14862	0.3
217.04720	5.1
217.15889	0.5
375.00256	0.3
379.09985	100.0
380.10272	7.5
380.14740	0.5
390.05026	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1173
Annotation	5-Methoxy-6'',6''-dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]flavone
Peak:m/z	Relative Intensity
51.15487	0.3
51.34996	0.2
54.11187	0.3
55.01870	0.3
55.05492	0.9
57.03022	0.2
65.03394	0.3
67.05509	1.4
69.07053	0.6
71.30680	0.3
75.04465	0.3
77.17712	0.2
77.27282	0.2
79.05486	0.6
81.07053	1.3
83.04965	0.9
85.23615	0.3
88.74308	0.2
91.05477	0.8
93.07031	1.5
95.08600	2.4
97.10150	0.3
105.07018	1.8
107.08608	0.9
109.06483	0.3
109.10156	0.9
111.04497	0.5
111.08097	0.5
117.06995	0.3
119.08582	1.0
121.10133	0.7
123.11707	0.3
129.06979	0.9
131.08571	1.4
133.10147	1.5
135.08011	0.4
141.07034	0.5
142.07767	0.7
143.08539	2.1
145.10136	1.1
147.11691	0.3
153.06897	0.3
155.08560	1.6
157.09035	0.3
157.10110	1.4
159.11705	1.1
161.09630	0.3
161.13335	0.3
166.07707	0.3
167.08560	0.6
168.09370	0.4
169.10135	2.3
171.11737	1.3
173.13240	0.7
178.07806	0.5
179.08627	1.3
181.10068	0.8
182.10962	0.5
183.11720	2.7
184.12347	0.3
185.13252	1.8
187.11052	0.3
189.06958	1.5
190.07770	1.2
191.08542	1.0
192.09309	0.5
193.06453	0.3
193.10117	0.6
194.07367	0.3
195.11702	1.0
196.12473	0.5
197.13248	2.8
199.14905	0.7
202.07770	0.8
203.08563	0.7
204.09331	0.3
205.06488	0.9
207.08072	1.6
207.11639	0.7
209.13214	0.8
211.14792	1.2
213.05482	0.4
217.06558	0.3
218.07300	2.2
219.08032	2.6
220.08809	1.0
221.05928	0.5
221.09575	0.5
221.13188	0.4
222.06738	0.5
223.14825	0.7
225.16393	0.7
231.08090	0.9
232.08817	1.1
233.05959	1.0
233.09601	1.7
234.06630	0.5
234.10194	0.3
235.07513	5.0
235.11096	0.4
237.08987	0.5
237.16356	0.5
238.17117	0.4
239.17960	4.0
240.18655	0.6
241.19417	0.5
245.05972	0.9
246.06805	1.1
247.07523	4.3
248.08278	2.3
249.05498	1.2
249.09036	1.7
249.16385	0.3
250.06190	2.8
250.09743	0.7
251.03467	0.3
251.07018	1.4
251.17995	0.5
253.08595	0.6
258.06628	0.3
259.07446	1.5
260.08334	1.1
261.05487	0.9
261.09140	2.3
262.06293	1.1
262.09848	1.0
263.07040	6.3
263.10587	1.4
263.17981	0.3
264.07657	1.3
265.05524	0.4
265.08575	8.0
265.19458	0.5
266.05649	0.5
266.08890	0.6
273.05505	1.1
274.06192	1.0
275.07031	3.9
276.04443	0.4
276.07755	4.4
277.05093	1.1
277.08557	7.1
278.05753	3.0
278.09253	2.1
279.06479	1.8
279.09616	0.5
279.21030	0.4
280.07272	0.5
280.21762	0.7
281.04599	0.5
282.05222	0.3
287.06934	2.0
288.07681	1.5
289.04938	3.4
289.08569	3.8
290.05737	1.7
290.09329	1.8
291.06500	5.9
291.10144	2.8
292.07294	2.9
292.10486	0.5
293.04767	0.5
293.08115	8.4
293.11652	1.3
294.05365	0.4
294.08554	0.9
295.06186	0.5
301.04938	0.4
302.05710	0.4
303.06512	4.8
303.09848	0.2
304.04077	0.3
304.07269	6.8
305.04559	0.7
305.08029	11.9
306.05209	2.8
306.08804	5.1
307.05905	1.1
307.09546	1.7
308.06735	1.4
308.10458	1.3
309.10907	0.3
315.06512	1.0
316.07361	1.3
317.04416	2.6
317.08093	4.8
318.05161	2.0
318.08795	2.6
319.05957	3.3
319.09650	6.9
320.06696	1.6
320.10400	7.8
321.07556	12.5
321.11215	4.7
322.07986	1.1
322.11566	0.6
323.09094	0.8
331.05927	2.5
331.09378	0.5
332.06793	6.4
333.07550	17.3
333.25690	0.3
334.04617	2.7
334.08240	3.0
335.05374	0.5
335.08990	1.6
336.06476	0.4
336.09888	8.6
337.10483	1.1
346.08191	2.0
347.09125	11.4
348.09875	22.9
349.06979	13.7
349.10733	10.7
350.07544	1.0
350.11243	0.9
351.09009	0.3
351.12271	6.7
351.16638	0.3
352.12744	0.5
361.25409	0.3
363.08798	0.6
364.09399	12.8
365.09851	0.8
379.11731	100.0
379.26138	6.6
380.12149	9.6
380.26746	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54906	0.6
52.75247	0.5
55.05485	1.0
67.01836	1.2
67.05466	2.1
69.07020	1.1
69.13918	1.9
69.14326	3.5
72.97181	0.6
75.04435	2.2
78.87806	0.6
79.05431	1.1
81.07024	1.3
88.76554	0.6
91.05439	1.0
93.06994	2.6
95.08562	2.9
98.23154	2.2
105.07001	2.0
107.08569	0.8
109.10146	1.1
109.10970	0.6
111.08054	0.8
119.08515	1.9
128.06158	1.1
129.06998	1.3
131.08571	1.6
133.10103	1.2
137.69867	0.6
141.06906	0.9
142.07738	0.9
143.08502	2.4
145.10080	1.4
155.08481	1.6
157.10078	1.8
159.11641	1.4
165.06960	1.4
166.07712	0.7
169.10194	3.0
171.11674	1.1
177.06966	2.3
178.07751	1.8
179.08562	0.9
181.10101	1.0
182.07143	0.7
183.11717	3.8
185.05988	1.1
185.13196	1.3
189.06982	8.2
190.07774	10.1
191.08551	3.9
192.09192	1.3
192.42737	0.6
193.10118	0.6
195.11577	1.4
197.13275	2.1
199.03802	0.8
199.14830	0.7
201.06929	1.4
202.07773	6.6
203.08603	4.1
204.09131	1.3
205.06479	3.4
205.10077	1.2
206.07169	1.2
207.08000	1.0
209.13277	0.9
211.14790	1.3
213.05469	5.9
217.06450	2.2
218.07233	10.7
219.08035	6.6
220.05301	0.7
220.08669	1.2
221.09615	1.0
222.06575	1.0
224.04552	0.7
225.16286	0.9
229.06506	2.1
230.07277	1.5
231.08046	4.7
232.08675	0.9
233.05975	3.1
233.09576	2.5
235.07440	1.6
237.05434	1.4
237.16414	0.8
238.06264	1.0
239.14122	0.7
239.17908	3.9
242.19872	0.6
245.05952	2.1
246.06772	14.7
246.09407	0.8
247.07480	8.6
248.08307	5.3
249.05431	2.8
249.09074	1.3
250.06181	2.3
251.03366	2.9
251.06953	0.8
257.05957	1.7
258.06769	1.5
259.07535	4.7
260.08423	0.9
261.05408	6.3
261.09058	4.1
262.06259	5.5
262.08813	0.9
263.07047	12.0
264.07681	1.5
265.04956	2.0
265.08563	2.1
265.15854	0.7
266.05618	1.1
273.05432	8.9
274.06253	8.0
275.07013	12.7
276.04779	1.3
276.07822	25.0
277.05255	1.0
277.08545	17.4
278.05673	2.1
278.09000	1.9
279.06479	1.5
280.07181	1.8
281.04376	1.1
287.07028	9.1
288.07822	11.2
289.04944	31.6
289.08557	23.1
290.05545	3.8
290.09216	2.3
291.06436	4.2
291.09991	2.2
292.07242	1.4
292.10449	0.8
293.04691	1.0
293.08035	3.2
294.05103	0.8
301.04871	1.1
302.05640	1.2
303.06509	6.7
304.07288	69.3
305.07925	15.5
306.05426	0.8
306.08740	2.7
307.05988	1.6
307.09576	0.8
308.06870	1.9
310.04901	0.8
315.06473	3.8
316.07162	1.7
317.04437	3.1
317.08127	3.3
319.09641	100.0
320.10141	15.0
321.07532	5.1
321.11072	2.1
322.08203	0.9
323.09143	1.4
325.06845	0.7
331.06107	1.1
332.06750	7.1
333.07544	2.0
336.09799	2.0
336.13510	0.9
347.09113	14.9
348.09869	3.6
349.06873	1.6
349.10699	4.7
351.12225	4.4
364.09470	2.9
379.11755	36.5
379.22250	1.1
379.26181	7.7
380.12048	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1174
Annotation	5-Methoxy-6'',6''-dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]flavone
Peak:m/z	Relative Intensity
50.30985	0.5
50.66330	0.5
51.37476	0.5
52.83009	0.5
55.05500	0.6
59.04985	0.7
64.74306	0.4
67.01864	0.6
67.05495	1.5
68.99785	0.6
69.29210	1.5
69.29630	2.0
73.06544	1.0
75.04482	1.1
80.58012	0.6
81.07047	0.7
87.04466	0.6
91.05475	0.7
95.08611	1.7
101.06017	1.3
109.10175	0.9
117.07035	0.5
119.08580	0.8
125.06005	1.2
129.05473	4.3
131.08577	0.7
133.10159	0.7
139.05522	0.6
140.06210	0.6
143.08586	1.5
145.10075	0.5
153.05481	4.2
153.06694	0.6
155.08556	0.7
157.10139	0.8
159.11697	0.6
165.06969	0.8
167.07050	0.7
169.10126	2.3
171.11740	0.6
175.03856	1.2
176.06218	0.5
178.07832	0.6
179.08533	1.7
181.10062	0.7
183.11740	2.8
185.13193	0.9
189.06932	2.8
190.07799	2.9
191.08510	1.7
192.09312	0.8
193.10040	0.6
197.06007	1.6
197.13176	1.3
198.06769	2.0
199.03981	0.9
201.07091	0.7
202.07726	5.0
203.08588	4.4
204.09248	1.2
205.06516	2.3
205.10141	1.0
206.07294	1.0
207.08076	2.3
209.09612	0.6
212.04709	0.7
213.05428	3.0
215.08591	0.9
215.27582	0.5
217.06487	1.6
218.07272	5.4
219.08054	5.8
220.08774	1.8
221.06029	1.0
221.09531	1.2
222.06703	0.8
225.05481	1.5
226.06239	13.1
229.06502	1.5
230.07167	1.5
231.08081	4.1
232.08810	2.3
233.05963	2.7
233.09560	3.6
234.06783	1.2
234.10254	0.8
235.07495	4.0
236.04747	0.7
236.08238	1.1
237.05373	1.0
237.09102	1.7
239.06908	0.7
239.17896	3.4
243.08072	1.1
245.05904	1.5
245.09619	0.9
246.06744	4.1
247.07518	7.1
248.04555	0.9
248.08308	4.2
249.05473	1.6
249.08975	2.8
250.06183	3.0
250.09583	0.5
251.06958	1.3
257.05957	1.2
258.06787	2.4
259.07510	5.5
260.08319	4.8
261.05481	2.1
261.09103	8.5
262.06271	2.0
262.09787	1.6
263.07034	10.5
263.10617	1.7
264.04678	0.6
264.07755	2.9
264.10693	0.5
265.08597	5.5
271.07425	0.9
272.08316	0.6
273.05460	1.9
273.09000	1.2
274.06204	3.8
274.09280	0.8
275.06998	12.7
276.07785	11.3
277.05032	1.8
277.08557	7.2
277.11667	0.9
278.05746	3.4
278.09305	3.0
279.06561	1.8
279.09982	1.0
286.06207	1.1
287.07034	8.0
288.07788	5.5
289.04984	5.0
289.08578	19.1
290.05753	1.9
290.09250	4.6
291.06464	6.5
291.10129	5.7
292.07202	2.0
293.08075	4.7
293.11633	1.6
294.08649	0.8
295.05640	0.6
301.04874	1.3
301.08533	1.4
302.05679	1.8
302.08981	0.8
303.06537	8.2
303.09869	0.6
304.07281	11.8
304.10611	0.8
305.08029	10.4
306.05228	1.4
306.08777	4.4
307.06256	0.9
307.09659	1.3
308.07050	1.1
308.10266	1.1
315.06473	3.8
316.07129	2.5
317.04395	3.2
317.08099	9.4
318.05212	2.2
318.08856	9.3
319.06006	3.3
319.09555	15.8
320.06604	1.5
320.10297	4.3
321.07556	9.5
321.11255	4.2
322.08087	1.1
322.11539	0.7
325.06931	0.7
330.09042	1.1
331.05981	2.4
331.09476	1.0
332.06778	9.9
333.07538	17.3
334.04715	0.8
334.08170	5.5
334.11725	0.8
335.09109	2.1
336.09848	3.3
337.10672	1.4
346.08212	1.4
347.09128	41.6
348.09839	26.9
349.06979	11.9
349.10709	13.4
350.07407	1.1
350.11227	1.8
351.12244	8.5
352.12558	0.9
363.08475	1.1
364.09363	11.4
379.11743	100.0
379.26135	7.7
380.12048	12.4
389.58676	0.6
389.88535	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70714	0.5
70.52633	1.2
87.24637	0.5
98.12216	0.4
102.45383	0.5
112.93672	0.4
130.95911	0.5
136.91602	0.5
185.04213	1.7
217.08356	2.7
221.11615	0.5
254.95256	0.5
269.47705	0.4
309.56406	0.4
321.09448	0.6
379.13629	100.0
380.13989	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2629
Annotation	Rugulosone
Peak:m/z	Relative Intensity
52.00762	0.7
52.06360	0.6
53.03937	1.3
55.05508	7.3
55.31546	0.6
55.70805	0.6
57.03423	1.0
57.07058	2.0
67.05501	9.2
69.03423	1.2
69.07074	5.4
69.15157	0.7
69.24706	5.0
75.33270	0.8
79.05487	7.1
79.48566	0.7
80.18302	0.7
81.07052	9.7
83.04975	12.1
83.08612	1.4
91.05475	12.5
93.07039	17.3
95.04960	2.3
95.08598	20.1
97.06551	1.0
98.22659	1.9
103.05450	1.2
105.07026	29.7
105.40205	0.8
106.07330	0.9
107.08587	11.9
109.10152	4.7
111.04451	5.5
111.08076	5.2
115.05419	1.1
117.07027	5.9
119.08575	20.4
120.08914	1.0
121.06528	1.0
121.10123	6.8
123.08066	2.5
128.06215	3.5
129.07019	7.8
130.07759	2.3
131.08557	17.6
132.09184	1.0
133.10120	22.8
135.11688	4.0
137.06030	1.0
139.07529	4.2
141.06992	7.7
141.09038	1.1
142.07788	6.2
143.08562	16.1
144.09293	3.0
145.10120	13.0
146.10838	1.4
147.08049	0.8
147.11699	8.2
149.05966	1.2
149.09717	1.0
149.13202	1.2
150.62096	0.8
153.07016	2.5
154.07750	2.7
155.08539	19.5
156.09377	5.6
157.08882	1.5
157.10121	17.2
158.10881	2.6
159.11673	10.8
161.09615	2.7
161.13266	5.5
165.07016	2.2
167.08545	5.8
168.09343	10.5
169.10123	16.3
170.10916	4.8
171.11664	9.1
173.09666	1.2
173.13248	17.1
175.11192	1.6
175.14821	1.0
179.08545	2.5
180.09322	1.9
181.10129	11.9
182.10880	8.2
183.11682	44.0
184.12291	3.8
185.13242	13.7
186.13866	1.4
187.11143	1.4
187.14832	2.0
193.10158	2.4
194.10825	1.2
195.11685	10.2
196.12433	5.2
197.13245	21.0
198.13824	2.5
199.14806	8.3
200.15512	1.1
201.12704	1.0
201.16412	2.5
205.10121	0.8
207.11662	2.1
208.12447	2.0
209.13243	9.8
210.13898	3.5
211.14822	9.1
213.12747	1.6
213.16341	3.1
215.14253	1.0
216.10962	0.8
221.13274	1.7
222.13918	0.9
223.14825	7.1
224.15520	3.7
225.12758	0.9
225.16359	7.9
227.14264	1.7
227.18018	1.0
231.13911	2.3
233.15465	1.2
235.14868	1.8
236.15442	0.9
237.16391	6.7
238.17154	2.2
239.17921	64.0
240.18471	9.3
241.19508	7.7
242.20166	1.0
245.15395	0.8
245.23671	0.9
249.16402	1.4
251.17967	3.3
253.19514	2.3
257.15442	1.1
263.14276	0.7
263.17880	1.4
265.19461	7.5
267.21024	3.0
279.21152	2.0
280.21841	9.5
281.22287	1.0
297.18356	1.0
323.20129	3.7
324.20242	1.0
333.25674	1.2
344.19391	5.6
344.23129	1.1
350.43552	0.8
361.25452	1.1
379.26285	100.0
380.26660	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.05511	7.9
57.03431	1.2
57.07062	2.0
62.86384	0.9
65.03944	0.9
65.91234	1.0
67.05500	12.5
69.07076	6.2
69.31226	0.9
71.04985	1.0
79.05482	7.2
81.07058	10.8
83.04978	9.1
83.08617	1.9
90.90811	1.0
91.05479	13.9
93.07042	18.4
95.04935	2.4
95.08603	25.0
97.06497	1.5
99.04441	1.3
103.05456	1.0
105.07030	30.0
106.07359	1.4
107.08607	10.3
109.06535	1.9
109.10149	6.5
111.04465	4.1
111.08085	7.4
113.06017	2.1
115.05434	2.0
117.06998	7.6
119.08575	21.7
121.06534	1.2
121.10135	6.8
123.08087	3.0
123.11712	1.3
128.06218	4.2
129.07027	7.1
130.07799	1.7
131.08568	18.1
132.09370	1.2
133.10133	24.3
135.08067	1.5
135.11716	6.0
137.06001	1.1
139.07532	4.3
141.06992	7.1
141.09135	2.1
142.07794	6.9
143.08569	15.4
144.09340	1.9
145.10118	14.0
146.10979	1.1
147.07986	1.6
147.11688	11.2
149.13281	1.3
153.06982	3.5
154.07777	3.3
155.08548	21.5
156.09364	5.9
157.10121	18.1
158.10870	3.5
159.11690	10.7
160.12257	1.0
161.09633	3.4
161.13248	6.0
163.11217	1.2
165.06982	2.3
166.07773	1.8
167.08577	5.4
168.09360	7.8
169.10127	19.1
170.10893	5.1
171.11687	10.2
173.13249	19.4
175.11174	1.6
179.08601	2.6
179.10622	1.5
180.09279	2.1
181.10107	15.1
182.10902	8.0
183.11691	34.6
184.12267	3.6
185.13258	15.1
186.13708	1.3
187.11188	1.5
187.14836	2.2
189.12784	1.6
192.09335	1.3
193.10149	3.1
194.10959	2.2
195.11691	11.4
196.12544	5.9
197.13254	23.3
198.13831	2.9
199.14821	12.8
200.15372	1.5
201.16351	2.5
207.11775	2.3
208.12387	1.5
209.13214	10.4
210.13875	3.4
211.14813	14.9
212.15234	1.6
213.12714	1.1
213.16400	5.3
221.13243	3.0
223.14780	8.1
224.15532	4.2
225.16370	8.4
226.16940	1.2
230.10356	1.5
231.13911	2.4
235.14871	1.7
237.16382	8.6
238.17128	4.1
239.17937	60.4
240.18474	6.8
241.19382	5.0
242.20064	1.5
251.17957	3.9
253.19522	1.6
263.18106	1.6
265.19543	6.1
267.21002	2.4
277.16223	1.1
277.19412	1.0
279.21042	2.9
280.21893	7.7
281.22552	1.6
297.18500	1.1
305.22687	1.1
323.20169	2.4
333.07590	2.2
333.25607	1.5
347.09042	1.4
348.09891	1.9
349.07074	1.6
349.10797	1.9
361.25235	1.7
379.11771	10.0
379.26309	100.0
380.11874	1.7
380.26776	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	6.6
55.82618	1.0
57.07075	1.6
57.89027	1.1
58.59806	1.1
67.05506	20.2
69.07063	3.7
71.04997	1.2
71.29975	1.3
79.05489	5.1
81.07055	12.2
83.04987	7.0
83.08624	2.2
87.04456	1.1
91.05488	11.2
93.07047	12.0
95.04964	2.5
95.08604	27.0
97.06533	2.0
105.04483	1.2
105.07027	13.5
107.08604	8.8
109.06518	1.5
109.10151	17.7
109.10824	1.6
110.10600	1.3
111.04446	3.3
111.08083	4.4
113.06021	1.2
115.05423	2.0
117.07044	5.5
119.08580	15.0
121.10140	4.0
123.08066	2.8
123.11700	3.2
128.06235	3.2
129.07001	12.9
131.08575	14.4
133.10144	7.7
135.08060	1.2
135.11720	2.0
139.07558	2.0
141.06996	5.4
141.09169	1.1
142.07802	6.7
143.08562	20.1
144.09180	1.4
145.10138	12.0
147.11671	3.2
153.06985	3.1
154.07797	3.0
155.08562	19.6
156.09335	5.7
157.10139	22.6
158.10771	1.4
159.11684	8.4
161.09612	2.1
161.13277	2.2
167.08569	3.0
168.09335	7.9
169.10132	34.6
169.11523	2.2
170.10771	3.1
171.11679	14.9
173.13242	7.6
175.11258	1.3
175.14789	2.9
179.10617	1.4
180.09218	1.2
181.10127	7.9
182.10873	5.9
183.11690	40.8
183.13356	2.0
184.12320	2.4
185.13263	10.6
186.13901	1.5
187.11156	1.5
187.14809	3.2
193.10091	1.2
194.10982	1.1
195.11678	8.7
196.12430	4.3
197.13280	20.1
198.13885	1.6
199.14841	7.0
201.16362	2.7
207.11705	1.7
209.11470	1.4
209.13213	7.6
210.14011	4.6
211.14815	10.6
213.16446	3.4
223.14790	5.1
224.15549	1.6
225.16434	6.5
226.17009	1.3
237.16365	3.7
238.17052	3.5
239.17947	69.7
240.18465	7.1
241.19533	9.5
251.17902	4.1
253.19257	2.0
265.19504	4.5
267.21124	1.7
279.21100	1.7
280.21814	6.8
281.22449	1.4
299.55676	1.1
379.11908	2.2
379.26300	100.0
380.26752	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
54.01949	1.2
54.46504	0.9
55.05510	11.3
57.03438	1.1
57.07077	0.9
65.02457	0.9
65.03942	1.1
67.05503	17.8
69.03434	1.8
69.07064	8.3
69.21666	3.5
69.22072	4.4
71.04988	1.5
79.05481	7.3
81.07052	16.8
83.04977	6.1
83.08607	3.8
85.06542	1.9
91.05482	13.7
93.07040	24.4
95.04945	5.1
95.08604	45.2
97.06510	5.2
97.10164	2.3
98.22534	1.0
99.04471	1.5
105.07028	18.6
107.08587	16.5
109.06503	3.3
109.10149	14.0
110.55227	1.0
111.04435	3.4
111.08078	12.1
113.06021	4.8
115.05453	2.7
116.06230	1.2
117.07030	11.2
119.08581	14.0
121.06482	3.9
121.10121	9.3
123.08078	10.7
123.11701	2.9
125.06028	1.2
125.09647	2.3
128.06239	6.2
129.07002	13.9
130.07803	1.3
131.08563	24.3
133.10123	30.7
134.10452	1.1
135.08058	2.9
135.11717	6.5
137.09618	2.3
139.07501	5.8
141.05902	2.0
141.06972	18.3
141.09148	5.1
142.07776	9.0
143.08566	25.6
144.08951	1.6
145.10127	13.4
146.07262	1.7
146.93361	1.2
147.08066	4.0
147.11670	12.7
149.09624	1.4
149.13239	2.6
153.07025	4.0
153.12700	1.5
154.07762	4.7
155.08549	60.8
156.09282	6.8
157.10126	25.1
159.11687	10.7
160.08904	1.6
161.09613	15.9
161.13217	8.3
163.11169	5.9
165.07022	3.7
166.07794	1.8
167.08609	10.0
168.09335	6.0
169.10120	32.5
170.10909	10.5
171.11674	17.5
173.09666	0.9
173.13254	19.8
175.11183	8.0
175.14864	1.8
179.08598	3.7
179.10638	6.4
180.09340	4.1
180.10828	1.1
181.10107	25.3
182.10887	9.4
183.11688	36.3
184.12263	4.1
185.13254	45.0
186.13795	4.1
187.14743	9.3
189.12729	8.9
192.09239	1.7
193.10123	4.7
193.12215	2.3
194.10829	2.7
195.11687	25.7
196.12442	13.8
197.13248	71.7
198.13617	4.8
199.14816	43.0
200.15089	2.5
201.12990	1.2
201.16328	7.6
205.10191	1.3
206.10863	1.7
207.11639	6.3
207.13785	4.0
208.12416	2.4
209.09679	2.1
209.13231	14.2
210.13910	1.4
211.14806	51.8
212.15155	3.4
212.38141	1.2
213.16389	5.5
219.08054	1.5
219.11780	1.5
219.13811	1.1
221.13345	6.7
221.15187	1.9
222.14056	1.8
223.11287	1.3
223.14790	15.7
224.15527	3.1
225.16380	21.4
227.22630	1.1
235.07632	1.3
235.14841	4.6
237.12775	2.2
237.16357	18.4
238.17104	5.3
239.17932	100.0
240.18454	10.3
241.19524	5.9
245.13127	1.5
247.07480	1.8
249.16371	3.5
251.17873	10.2
253.15939	1.0
253.19527	2.8
263.06958	1.6
263.14429	1.2
263.17950	5.8
265.19458	7.2
267.21057	3.4
277.08817	1.2
277.19516	2.4
278.20227	1.1
279.21054	11.3
280.21844	12.5
281.22354	1.4
283.16977	1.3
289.08401	1.4
291.06610	1.5
291.21008	4.1
294.13812	1.1
301.19547	1.7
303.06918	1.5
304.07343	1.5
305.08011	3.0
305.22678	3.4
306.08740	2.9
317.08047	2.4
319.06113	1.8
319.09634	3.7
319.20551	6.8
321.07651	2.1
321.11172	1.6
323.20016	1.3
333.07556	7.6
333.22260	1.5
333.25745	7.0
337.21643	2.6
343.24152	2.0
347.09131	2.3
348.09921	14.6
349.06955	4.9
349.10696	7.1
350.11243	1.6
361.25162	10.8
364.09399	5.3
370.08411	1.1
379.11792	35.0
379.26294	67.8
380.12067	4.3
380.26730	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.8
55.05513	4.8
55.81783	0.6
57.07079	1.5
65.03961	0.8
67.05504	17.9
68.05836	0.8
69.07065	3.6
74.30289	0.8
79.05494	5.2
81.07056	9.8
83.04984	4.5
83.08623	1.3
89.06017	0.9
91.05476	6.2
93.07044	9.3
95.04977	1.5
95.08604	20.2
97.06546	1.0
97.10168	0.6
98.23393	1.0
99.04482	0.7
105.07033	11.6
107.08594	6.5
109.06532	1.7
109.10155	13.8
109.10905	0.8
111.04449	2.0
111.08075	3.0
113.05992	1.0
115.05437	1.0
117.07021	3.7
119.08570	11.6
121.06481	0.8
121.10127	4.4
123.08108	2.3
123.11708	3.0
128.06242	3.1
129.07007	7.1
130.07797	1.0
131.08575	12.8
133.10132	9.6
135.08057	1.0
135.11703	1.9
137.06004	0.9
139.07524	1.4
141.06963	4.6
141.09123	0.7
142.07784	5.0
143.08565	16.4
144.09291	1.8
145.10115	10.4
147.08060	1.2
147.11702	2.9
153.06989	1.6
154.07779	3.5
155.08557	14.2
156.09357	4.6
157.10118	16.2
158.10803	1.3
159.11676	9.1
160.08978	0.6
161.09637	1.8
161.13292	1.7
167.08524	4.9
168.09355	6.8
169.10130	27.3
170.10759	3.0
171.11690	10.9
172.12398	1.0
173.13225	5.0
175.11246	1.2
175.14812	2.6
179.08583	1.1
179.10562	0.7
181.10104	6.0
182.10895	3.8
183.11691	35.5
184.12268	2.8
185.13257	10.2
187.11221	1.2
187.14838	2.7
193.10135	1.1
194.10852	1.1
195.11667	8.5
196.12399	2.9
197.13252	12.7
198.13789	0.9
199.14809	5.9
201.16425	2.8
207.11723	1.4
209.13246	4.8
210.13988	2.9
211.11232	0.6
211.14821	9.4
212.15361	1.0
213.16385	1.9
221.13254	1.4
223.10992	0.6
223.14807	4.2
224.15581	2.2
225.16373	6.4
235.14832	0.7
237.16374	3.8
238.17104	2.7
239.17944	55.4
240.18454	7.0
241.19452	7.3
251.17943	3.2
252.18713	1.1
253.19496	2.1
265.19501	2.7
267.21024	1.8
279.21152	2.2
280.21890	5.8
281.22461	1.2
304.06973	0.7
305.22644	0.8
309.18466	0.7
323.19867	0.8
327.19092	0.6
333.25681	0.9
348.10010	1.5
361.25168	0.9
362.50577	0.6
379.11829	2.3
379.26294	100.0
380.12277	0.8
380.26599	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.05503	4.3
59.50871	1.0
60.14765	0.9
60.40111	0.9
65.03944	1.2
67.05504	18.7
69.03423	1.0
69.07072	3.7
79.05496	5.8
81.07059	10.2
83.04986	2.8
83.08607	2.1
85.73872	0.9
91.05479	6.8
93.07046	10.4
95.04965	2.5
95.08044	1.7
95.08607	22.0
97.06518	1.0
98.22993	5.1
103.05489	1.4
105.07021	10.3
107.08573	7.8
109.10152	14.2
111.04440	2.3
111.08074	2.2
115.05470	1.0
117.07035	5.0
119.08582	11.7
121.10153	3.9
123.08060	2.4
123.11713	3.8
128.06258	3.4
129.07010	9.7
131.08559	12.1
133.10129	6.9
135.11703	2.1
135.68314	0.9
139.07558	2.2
141.06982	5.0
142.07806	4.9
143.08554	18.6
144.08952	1.0
145.10144	12.0
147.11708	3.2
153.07010	1.1
154.07787	3.1
155.08539	16.2
156.09320	4.0
157.10144	17.4
157.11411	1.0
159.11710	7.8
161.09610	3.5
161.13289	1.7
161.70810	1.0
165.06949	1.7
167.08580	4.8
168.09390	6.0
169.10136	29.8
170.10934	4.4
171.11674	12.2
173.13255	4.6
178.59813	0.8
180.09418	1.1
181.10083	5.7
182.10905	3.5
183.11691	37.2
184.12309	3.7
185.13239	8.8
187.14825	2.9
194.10941	1.4
195.11697	5.8
196.12415	1.9
197.13255	16.0
199.14751	5.9
201.16383	2.5
209.13225	5.3
210.14078	4.0
211.14790	10.3
213.16364	1.7
219.17477	2.1
223.14828	3.4
224.15561	2.7
225.16325	4.5
235.14737	1.1
237.16388	3.7
238.16974	1.2
239.17940	56.6
240.18466	5.9
241.19449	8.0
251.17950	3.6
265.19510	3.5
267.21194	1.5
279.21207	1.9
280.21893	5.4
304.07462	1.2
379.11856	2.3
379.26312	100.0
380.26675	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31651	0.6
52.99975	0.7
53.03946	1.7
55.05504	5.6
57.03428	0.7
57.07086	0.8
60.40240	0.6
67.05498	5.8
69.03437	0.8
69.07071	3.4
69.70168	3.2
75.24403	0.7
79.05489	3.5
81.07055	9.5
83.04979	14.1
83.08618	1.0
87.60408	0.7
91.04958	1.1
91.05485	13.5
93.07045	8.7
95.04951	2.4
95.08608	13.2
97.06499	1.0
98.22623	0.7
99.04440	1.0
103.05506	1.1
105.07028	29.7
107.08604	9.6
109.02875	1.1
109.06512	3.2
109.10159	5.2
111.04455	5.2
111.08067	2.8
113.06019	1.2
115.05494	1.0
117.07025	9.5
119.08581	35.3
120.08886	1.4
121.06475	1.7
121.10152	5.6
123.08057	2.1
123.11707	1.8
125.06015	1.0
128.06203	1.9
129.07008	4.4
130.07761	1.2
131.08571	18.7
132.09300	2.9
133.10127	23.3
134.10432	0.8
135.08034	1.1
135.11682	2.4
137.05998	6.0
139.07521	3.0
141.06955	3.3
142.07776	2.5
143.08563	9.5
145.10124	22.4
146.10634	0.8
147.08067	1.7
147.11684	100.0
148.12016	4.0
149.09598	1.3
153.06960	0.8
155.08565	8.3
156.09341	2.0
157.10115	7.6
159.08118	0.8
159.11690	15.3
161.09622	2.9
161.13252	26.0
163.07407	0.8
167.08557	1.9
168.09351	1.3
169.10150	6.5
170.10847	1.0
171.08084	0.8
171.11696	5.5
173.09557	1.1
173.13251	17.1
174.13618	0.8
175.11171	2.0
177.09119	0.8
179.08443	1.0
180.09438	1.2
181.10103	5.3
182.10886	1.3
183.11707	9.2
184.12251	1.1
185.09613	1.6
185.13239	9.8
187.13342	0.8
187.14801	5.0
189.12791	1.8
193.10063	1.3
194.10933	1.4
195.11708	5.3
196.12411	1.5
197.13269	11.0
199.11221	0.7
199.14816	9.1
201.12775	3.1
205.12180	0.7
207.11691	1.9
207.13766	1.2
209.13283	4.6
210.13991	0.9
211.14775	4.5
213.12715	1.3
213.16466	1.9
219.11844	1.0
219.13686	3.4
221.13237	1.9
223.14841	7.6
224.15500	1.1
225.16351	6.1
227.14348	2.6
227.17802	0.7
231.13841	1.5
233.13202	1.0
233.15369	0.8
235.14761	1.8
237.16386	5.8
238.17075	1.6
239.17912	7.7
241.19487	6.8
245.15369	3.6
251.17993	1.9
253.19582	1.3
261.16409	0.6
263.17816	1.1
265.19614	3.8
267.20941	1.8
272.83597	0.8
279.21030	4.9
280.21854	5.8
281.22507	1.4
291.21045	2.4
305.19324	0.8
305.22556	3.0
319.20563	2.5
333.07333	0.8
333.25693	2.9
337.21539	4.7
349.10886	0.8
361.25372	4.7
379.11804	2.1
379.26328	29.1
380.26669	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55208	0.8
55.05516	5.9
57.07064	1.1
65.03938	0.9
67.05508	18.3
69.07057	3.8
71.04971	0.9
79.05500	5.2
81.07055	13.9
83.04964	4.4
83.08604	1.3
91.05479	7.6
93.07043	9.6
95.08606	22.3
96.08945	1.1
105.04530	0.9
105.07040	10.5
107.08585	7.0
109.06528	1.1
109.10162	16.6
111.04431	1.9
111.08064	2.6
115.05420	1.0
117.06998	4.5
119.08580	13.0
120.78008	0.8
121.10137	3.6
123.08132	1.4
123.11688	3.6
128.06216	3.3
129.06998	9.4
131.08568	12.6
133.10144	6.5
139.07509	1.4
141.07001	4.9
142.07788	6.0
143.08562	19.2
145.10120	11.5
147.11681	2.9
149.13217	1.3
153.06961	2.0
154.07761	3.0
155.08563	15.1
156.09415	5.8
157.10120	16.9
159.11671	8.1
161.09642	1.9
161.13257	1.9
167.08597	4.9
168.09360	5.2
169.10130	30.3
170.10812	3.7
171.11700	11.1
173.13232	5.0
175.11119	1.2
175.14819	1.5
181.10114	6.1
182.10904	3.5
183.11703	36.2
184.12294	1.8
185.13286	10.8
187.11218	1.8
187.14850	2.5
194.10884	1.0
195.11678	8.3
196.12492	2.1
197.13268	18.6
198.13905	1.3
199.14752	4.3
201.16328	2.8
205.12268	1.1
209.13237	5.3
210.14009	3.8
211.14804	9.5
213.16345	1.4
221.13206	1.3
223.14806	3.8
224.15636	1.7
225.16351	5.8
236.82651	0.9
237.16469	2.2
238.17088	2.1
239.17944	55.6
240.18443	7.0
241.19489	7.3
251.18039	3.2
252.18877	1.2
253.19637	1.7
261.16232	1.0
263.18057	1.3
265.19528	2.8
267.21082	1.7
279.21249	1.2
280.21869	6.1
305.22675	1.4
309.18671	1.0
333.25909	1.3
361.25208	1.7
379.26300	100.0
380.26712	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.4
58.29567	1.2
64.86185	1.1
67.05508	16.3
69.07052	2.5
71.30256	2.2
75.33226	1.3
79.05491	4.1
81.07066	11.0
83.04987	4.0
91.05480	5.3
93.07044	9.6
95.08606	18.5
105.07040	9.2
107.08585	6.7
109.06550	1.7
109.10146	12.0
111.04459	2.9
111.08083	2.4
113.06018	1.3
117.07036	4.2
119.08588	12.2
121.10169	3.5
123.08067	1.4
123.11703	3.4
128.06224	2.8
129.07002	7.6
131.08548	13.3
133.10121	5.9
135.08061	1.5
135.11682	1.9
139.07516	1.1
141.07010	5.4
141.09039	1.5
141.48926	1.2
142.07744	3.5
142.91580	1.1
143.08560	16.3
145.10159	8.2
147.11682	3.0
149.13206	1.8
153.07030	1.8
153.99283	1.3
154.07788	2.6
155.08540	12.8
156.09340	5.0
157.10133	13.1
159.11659	7.1
161.09685	1.8
161.13297	1.9
167.08623	2.5
168.09372	5.2
169.10115	26.9
170.10715	2.6
171.11705	12.3
173.13304	4.5
175.14902	2.0
181.10152	5.6
182.10931	4.8
183.11702	35.2
184.12431	2.9
185.13277	9.3
186.13779	1.3
195.11720	6.1
196.12447	2.5
197.13239	14.8
199.14845	5.6
199.54938	1.2
201.16478	1.3
209.13315	6.2
210.14023	3.4
211.14803	8.8
212.15364	1.5
213.16434	2.1
223.14830	2.9
224.15515	2.1
225.16408	6.4
235.14763	1.4
237.16397	3.6
238.16968	1.2
239.17955	53.8
240.18471	5.4
241.19518	7.4
251.18036	2.8
265.19501	3.4
267.21133	1.5
279.20895	1.3
280.21805	5.9
281.22452	1.3
304.47012	1.3
309.18283	1.4
379.10818	3.5
379.18677	3.9
379.26285	100.0
380.10416	1.9
380.26654	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50563	0.8
52.04715	0.7
54.15694	0.7
55.05509	4.5
67.05503	18.0
69.03390	0.9
69.07075	4.2
71.32097	0.9
79.05492	6.6
81.07058	10.3
83.04996	4.0
83.08614	1.6
90.08253	0.8
91.05478	7.8
93.07040	9.3
95.04973	1.3
95.08611	20.1
97.06570	1.0
105.07020	12.8
107.08585	8.6
109.10155	12.1
111.04468	1.5
111.08065	3.2
115.05450	1.1
117.07011	4.4
119.08584	11.4
121.06496	1.2
121.10137	4.8
123.08064	3.5
123.11710	2.5
128.06180	4.1
129.07013	7.6
131.08566	13.7
132.08846	0.9
133.10139	6.6
135.11737	2.2
139.07564	2.2
141.06975	4.8
141.09138	1.0
142.07779	5.4
143.08560	18.2
144.09319	1.5
145.10107	12.8
147.08025	0.8
147.11720	4.4
153.06981	2.4
154.07767	2.7
155.08548	15.9
156.09305	3.4
157.10123	16.9
159.11697	7.4
161.09628	3.1
161.13245	2.3
167.08582	2.7
168.09380	5.9
169.10136	23.9
170.10760	3.4
171.11668	12.6
173.13239	6.2
179.08524	0.8
181.10103	6.4
182.10995	4.5
183.11678	34.7
184.12268	2.7
185.13237	12.5
187.14861	2.7
193.10275	1.7
195.11676	6.4
196.12398	2.6
197.13260	16.9
198.13884	2.4
199.14778	5.4
201.16377	3.4
207.11739	0.8
209.13290	4.9
210.13992	2.2
211.14832	10.8
212.15479	0.9
213.16460	1.6
219.07846	0.9
221.13190	1.8
223.14732	5.9
224.15559	2.3
225.16257	4.8
233.09668	0.9
235.07518	1.6
237.16389	3.7
238.17160	1.9
239.17931	55.1
240.18388	7.3
241.19542	6.8
247.07497	1.7
248.08179	1.6
249.09099	1.5
249.16449	1.3
251.17946	3.0
252.18828	0.8
253.19551	1.9
261.05554	1.0
261.09143	1.3
263.07068	2.4
263.10800	1.1
265.08661	1.8
265.19571	4.4
267.20996	1.8
275.06964	2.4
276.07855	1.6
277.08566	2.4
278.05988	1.2
278.09393	1.1
279.21002	2.3
280.21893	6.7
281.22232	1.1
283.17203	1.0
287.06998	1.2
289.08517	0.9
290.09399	1.6
291.06485	2.7
291.09967	1.5
292.07367	0.9
293.08118	1.5
295.16592	0.9
297.18365	0.9
303.06497	1.9
304.07254	1.9
305.08066	4.3
306.05450	1.4
306.08762	3.7
316.07138	0.9
317.08185	2.4
318.08582	1.2
319.06012	2.4
319.09741	2.3
321.07678	2.8
321.11133	2.1
331.06006	1.7
332.06857	1.7
333.07605	10.5
334.08276	2.2
336.10010	1.6
346.08243	1.6
347.09052	3.8
348.09915	16.6
349.06973	8.3
349.10651	11.5
350.07309	1.2
350.11133	1.1
351.12198	1.5
351.47940	1.0
361.25323	0.9
364.09280	5.4
379.11761	47.6
379.26300	100.0
380.12137	6.5
380.26633	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79150	0.3
50.91821	0.3
55.01858	2.6
66.64544	0.3
69.03413	1.0
69.39321	1.3
69.39748	0.9
71.66554	0.3
72.08143	0.4
79.05487	1.3
81.03394	0.5
81.07058	9.5
85.02907	2.3
93.07040	0.6
94.88007	0.3
95.04933	0.5
97.02920	0.5
99.04462	0.4
101.02352	0.4
105.07025	0.5
108.49512	0.4
109.06500	4.8
113.05952	0.4
119.08633	0.4
120.08101	1.1
122.09726	0.4
123.08025	0.6
137.05971	100.0
138.06305	3.7
145.04980	0.7
165.05487	2.6
165.09143	1.1
166.05525	0.4
171.10269	0.4
183.06525	45.1
184.06856	1.5
201.11201	0.7
229.04846	0.6
253.05008	0.4
261.07489	0.6
380.10318	4.5
381.11417	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80058	1.8
56.93845	1.6
57.03433	4.5
61.02926	2.1
67.05499	4.4
69.03432	8.5
69.07071	77.0
69.46595	4.4
69.47005	7.0
71.01347	9.5
79.05488	3.3
80.41556	1.7
81.07072	10.3
83.04994	2.1
85.02910	49.4
86.65307	1.8
91.05499	3.1
93.07073	2.8
95.01322	9.2
95.04975	2.8
95.08618	7.3
96.37931	2.0
97.02915	3.2
97.06554	4.9
105.49202	1.7
108.64550	1.9
109.02928	1.7
109.06525	24.1
109.10121	2.9
111.04433	2.9
113.02369	59.3
113.03122	3.5
113.09621	2.5
116.07860	1.8
119.08568	13.8
123.08082	13.8
137.09647	6.9
144.25154	1.7
145.05019	3.6
147.08070	7.3
149.94321	1.8
165.09123	36.0
165.10458	2.5
183.10170	100.0
184.10551	5.2
201.11255	8.1
202.80376	2.4
353.49231	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80058	1.8
56.93845	1.6
57.03433	4.5
61.02926	2.1
67.05499	4.4
69.03432	8.5
69.07071	77.0
69.46595	4.4
69.47005	7.0
71.01347	9.5
79.05488	3.3
80.41556	1.7
81.07072	10.3
83.04994	2.1
85.02910	49.4
86.65307	1.8
91.05499	3.1
93.07073	2.8
95.01322	9.2
95.04975	2.8
95.08618	7.3
96.37931	2.0
97.02915	3.2
97.06554	4.9
105.49202	1.7
108.64550	1.9
109.02928	1.7
109.06525	24.1
109.10121	2.9
111.04433	2.9
113.02369	59.3
113.03122	3.5
113.09621	2.5
116.07860	1.8
119.08568	13.8
123.08082	13.8
137.09647	6.9
144.25154	1.7
145.05019	3.6
147.08070	7.3
149.94321	1.8
165.09123	36.0
165.10458	2.5
183.10170	100.0
184.10551	5.2
201.11255	8.1
202.80376	2.4
353.49231	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	26.9
60.95221	8.2
67.05500	10.8
69.03410	7.8
71.04990	7.1
73.28569	6.5
79.05476	34.0
81.03435	8.6
81.07035	8.6
85.02895	31.6
95.08622	6.7
97.02899	6.0
104.49803	6.5
107.04961	24.7
107.08556	6.8
109.10153	37.2
119.08606	21.7
123.04432	14.8
127.03922	8.9
137.09636	19.5
139.03912	9.7
165.09116	66.7
183.10196	27.2
274.33780	6.6
280.12274	6.3
302.07391	15.4
314.31177	6.3
318.63705	6.5
352.61713	7.2
380.09033	20.4
381.11511	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26882	8.6
60.89752	8.6
67.05515	9.9
69.03429	11.5
69.04906	71.9
71.05000	42.5
79.05489	15.7
81.03386	7.1
81.07062	29.0
85.02912	29.5
91.05476	8.9
93.07034	16.0
95.08605	34.3
96.08944	7.5
98.23367	15.1
105.07048	25.9
107.08616	13.4
109.10162	18.1
111.62778	7.8
119.08583	12.7
123.08089	17.2
133.10182	7.9
137.09628	35.6
145.05028	12.1
147.11710	10.4
155.10713	11.7
164.07045	13.1
165.09117	27.2
165.12782	60.7
183.10216	27.1
183.13838	23.1
201.11179	47.4
201.16341	15.2
215.08131	9.4
239.08148	17.5
250.17357	7.5
257.09259	15.5
267.07657	83.5
285.08823	42.0
289.08148	10.5
313.08237	59.8
331.09204	80.2
339.12006	16.9
363.12039	11.0
380.13852	100.0
381.13742	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
60.30200	3.3
67.97052	3.0
69.28284	16.9
70.48991	2.9
87.55470	3.1
91.69305	2.9
96.45354	3.3
150.54175	3.1
241.57555	3.9
381.07892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0967
Annotation	Phyllanthusmin A
Peak:m/z	Relative Intensity
52.10775	0.2
53.03917	0.5
55.05514	6.5
57.07050	0.3
67.05498	2.1
69.03439	0.3
69.07069	1.5
69.33601	1.1
69.34008	0.7
69.47135	0.3
79.05489	1.3
81.07062	2.1
83.04498	0.3
83.04984	5.6
83.08627	0.7
91.05467	1.7
93.07046	2.6
95.08617	4.6
97.10158	0.6
105.07025	3.4
107.08588	2.5
109.06481	0.5
109.10161	2.1
111.04435	0.5
111.08067	0.5
113.05968	0.3
115.99995	0.3
117.07029	1.3
119.08582	2.9
121.10136	1.9
123.08069	0.7
123.11694	0.5
127.76145	0.3
128.06224	0.7
129.07004	1.8
131.08563	2.8
133.10110	2.9
135.08055	0.4
135.11688	0.7
139.07529	0.6
141.06966	0.7
141.09096	0.5
141.24315	0.3
142.07759	1.0
143.08569	4.3
144.09288	0.5
145.10124	3.1
147.11697	2.1
149.13292	0.5
155.08534	1.2
156.09282	0.5
157.10115	6.1
158.10899	0.3
159.11690	3.1
161.09563	0.5
161.13242	1.0
165.07047	0.5
167.08588	0.7
169.10109	0.9
170.03662	0.3
170.10892	0.5
171.11684	3.1
173.09621	0.3
173.13245	1.3
175.11105	0.4
175.14774	0.7
177.07079	0.5
181.08356	0.3
181.10056	0.4
183.11653	1.4
184.12480	0.3
185.13248	6.3
185.14799	0.5
186.13678	0.5
187.11217	0.7
187.14798	2.3
189.16449	0.4
195.08044	0.6
195.11668	0.7
197.11595	0.3
197.13237	1.5
198.13889	0.3
199.14830	3.1
201.16393	1.2
203.17967	1.3
204.72433	0.3
205.06490	1.2
206.07047	0.3
207.08018	0.5
209.09531	0.3
209.13200	0.4
211.14771	1.3
212.15266	0.4
213.12785	0.3
213.16350	1.7
215.17982	0.5
221.06100	0.4
222.06689	0.3
223.07565	1.2
223.14899	0.5
225.16351	1.2
227.03424	0.5
227.17905	1.5
228.04167	14.8
229.04541	0.8
233.06038	0.8
235.07512	0.9
237.09029	0.4
239.03444	1.1
239.17926	1.5
240.18542	0.5
241.15831	0.4
241.19502	8.0
243.21046	0.4
247.07544	0.6
249.05444	0.5
250.06125	0.5
251.07042	4.6
252.07463	0.5
253.04955	0.4
253.19489	0.8
255.02826	0.4
256.03671	14.3
257.04019	0.9
263.07004	1.2
264.07693	0.3
265.04898	0.3
265.08606	1.0
266.05801	0.4
267.21124	0.6
271.02359	2.9
277.08450	0.3
278.05881	0.3
279.06525	3.9
280.03766	0.6
280.07016	0.5
281.04477	0.8
281.08051	0.9
281.22708	0.4
282.23410	1.1
283.02374	5.8
283.05319	0.3
284.03143	31.3
285.03522	1.9
288.02686	0.5
291.06592	0.9
293.08008	1.5
294.05273	0.3
295.05984	0.4
297.03781	0.4
299.05496	100.0
300.05853	7.7
305.08148	0.7
307.05939	0.9
308.06799	0.5
309.03961	1.4
309.07504	10.7
310.04657	3.1
310.07941	0.8
311.05701	0.7
321.07568	1.6
322.08377	0.5
323.05478	0.7
323.09100	2.9
324.06223	0.8
333.07693	0.6
335.09238	0.3
336.06128	0.3
337.06970	1.1
338.07761	0.5
339.08615	3.8
349.10468	0.4
351.08606	4.2
353.10049	0.4
363.08591	1.7
363.26721	0.5
367.08298	0.4
381.09665	47.1
381.27957	14.3
382.10107	5.5
382.13943	0.2
382.28281	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79485	0.3
55.72498	0.2
56.74749	0.3
61.60318	0.3
69.25115	1.7
69.25532	0.5
74.49348	0.3
83.04981	0.8
91.33195	0.3
94.26700	0.4
96.06015	0.3
98.23312	0.6
125.05993	0.9
136.33842	0.3
143.07034	1.8
161.30162	0.3
178.19925	0.3
185.08105	0.7
203.09225	0.7
253.09074	0.3
381.11545	100.0
382.11908	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02504	0.2
61.11068	0.3
64.32766	0.3
69.03428	0.3
70.01337	0.7
71.78547	0.3
82.69765	0.3
82.99879	0.7
85.01418	0.9
85.02931	0.4
90.38201	0.3
94.11948	0.3
94.94759	0.3
94.99871	0.4
97.01405	0.6
97.02887	0.3
98.97620	0.4
100.00045	0.3
101.00891	4.0
102.00979	0.5
103.00648	0.8
103.02465	1.1
105.00366	0.3
113.00884	2.9
114.00957	0.3
115.02441	5.8
116.02572	0.4
117.02148	0.3
117.03989	0.4
118.39267	0.3
119.01935	3.8
120.02010	0.5
121.01679	0.7
121.03451	0.3
127.02433	1.4
129.04005	2.4
131.01912	4.5
133.03482	13.6
134.03593	0.7
137.00870	0.9
139.02484	0.4
141.03926	1.5
143.01920	4.4
143.05534	0.8
145.01669	2.4
145.03477	3.7
146.03633	0.4
147.03220	0.6
147.05034	5.5
148.05110	0.4
149.02986	0.4
151.04546	1.1
153.03981	1.3
155.01907	7.2
156.02632	0.5
157.01645	0.5
157.03481	4.8
158.03625	0.4
159.03255	0.8
159.05055	6.9
160.05206	0.3
161.02963	3.4
161.06647	0.8
162.03090	0.6
163.02704	2.8
165.04103	0.7
165.06120	0.4
167.01895	0.4
167.05579	0.4
169.03500	1.2
171.05048	6.9
172.05170	0.7
173.02968	5.2
173.06584	0.5
174.03188	0.4
175.02962	0.5
175.04546	2.3
177.04555	0.3
177.06104	5.8
177.07655	0.3
178.06223	0.3
179.01903	1.7
181.03522	0.4
183.03494	0.4
183.05042	5.3
184.05339	0.4
185.02960	1.8
185.06676	1.8
187.04546	0.9
189.04500	0.6
189.06088	2.7
190.06218	0.3
193.03534	0.9
195.05312	0.5
195.07150	3.0
196.02205	0.4
197.02998	2.6
197.06711	1.1
199.04547	0.7
201.04402	0.4
201.06142	2.2
203.04022	3.0
203.07755	0.6
204.04167	0.4
205.03857	1.7
205.05562	0.6
207.05029	0.9
208.05202	0.3
211.04558	1.4
213.06171	1.6
215.04057	0.4
218.06305	0.6
219.07158	18.9
220.02032	0.3
220.07364	1.5
221.05107	8.0
222.05260	0.5
223.04921	1.1
225.06131	1.9
231.07173	19.0
232.07439	1.4
233.08723	4.3
234.08853	0.3
237.06195	0.5
243.07164	1.0
244.07970	0.5
245.05098	12.2
245.08763	0.8
246.05267	1.2
247.04793	0.4
247.06999	0.3
249.06447	0.3
255.07147	6.0
256.07355	1.0
258.17172	0.3
259.06891	1.7
260.06918	0.3
261.06000	0.5
261.08551	2.4
263.06244	0.9
263.09918	0.5
273.08243	5.7
274.08521	0.4
285.08478	0.3
291.09232	1.2
303.09183	0.9
321.10345	100.0
322.10538	10.6
339.11493	7.0
340.11700	0.6
363.09705	0.3
381.07663	0.4
381.12436	3.1
382.12445	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1332
Annotation	Phyllamyricin B
Peak:m/z	Relative Intensity
53.79334	0.1
55.01827	0.3
55.05468	0.2
66.16738	0.1
67.05419	0.1
68.99735	0.2
69.03406	0.2
69.07039	0.2
73.25612	0.1
75.59457	0.1
79.05456	0.2
81.47875	0.2
83.01267	0.3
89.38223	0.1
91.05429	0.2
93.06989	0.2
95.37545	0.1
119.08517	0.2
128.06160	0.3
133.06409	0.2
139.05411	0.2
141.06833	0.2
143.08498	0.7
152.06100	0.2
153.06897	0.3
157.06445	0.2
164.88023	0.2
165.05388	1.0
165.06921	1.4
166.07652	0.4
167.08578	0.3
168.05713	0.2
169.06441	0.3
171.08025	1.0
176.06171	0.4
177.06929	0.4
178.07765	0.9
179.07117	0.2
179.08554	1.7
180.09180	0.2
181.06429	0.7
181.10071	0.5
183.08015	0.4
189.06886	1.6
190.07748	2.4
191.08531	1.9
192.09282	1.3
193.06467	0.8
193.10092	0.8
194.07237	1.0
194.10796	0.5
195.08031	1.8
196.05116	0.3
196.08638	0.4
197.05972	0.4
197.09557	0.3
198.06573	0.2
202.07736	1.5
203.08546	2.3
204.09291	1.3
205.06454	1.4
205.10100	1.8
206.07201	1.0
206.10719	0.5
207.08035	5.2
207.11580	0.6
208.05145	0.2
208.08778	1.2
209.05919	0.6
209.09581	1.8
210.06741	1.9
210.10229	0.2
211.07475	1.0
212.04739	0.2
215.08574	1.7
216.09242	0.6
217.06580	0.9
217.10014	0.8
218.07248	5.4
218.10576	0.3
219.08029	7.7
219.11591	0.7
220.05206	0.6
220.08760	3.5
221.06082	1.5
221.09543	3.0
222.06964	0.9
222.10365	3.9
223.04015	0.2
223.07526	2.7
223.10925	0.9
224.08276	2.8
224.11601	0.2
225.05424	0.6
225.09071	0.7
226.06154	0.5
227.06870	0.3
228.04027	0.2
230.07129	0.5
231.04475	0.2
231.08044	3.6
232.08801	4.9
233.06097	1.6
233.09570	9.8
234.06754	2.1
234.10219	1.8
235.07520	16.6
235.10988	2.3
236.04683	0.2
236.08105	2.2
236.11752	0.3
237.05319	0.6
237.09088	4.0
237.12704	2.2
238.06187	1.1
238.09676	0.6
239.06998	0.8
239.10527	0.2
240.04034	0.2
240.07707	0.6
241.04880	0.3
241.08563	0.2
242.05695	0.5
243.08162	0.5
244.08900	0.3
245.05925	1.0
245.09547	1.0
246.06783	2.4
246.10240	0.3
247.07491	12.0
247.11143	2.5
248.04657	0.3
248.08261	5.5
248.11061	0.3
249.05563	1.1
249.09064	9.0
250.06349	1.9
250.09859	13.2
251.06973	2.0
251.10442	2.3
252.03935	0.2
252.07756	1.0
252.11395	0.6
253.05150	0.7
253.08528	1.7
253.11122	0.2
254.05667	0.8
254.09149	0.5
255.03436	0.1
255.06396	1.1
259.07504	1.6
260.08304	3.3
261.05594	0.9
261.09079	12.9
262.06213	2.4
262.09744	4.6
263.06973	17.0
263.10538	4.5
264.04413	0.2
264.07596	3.1
264.11240	1.6
265.04929	0.4
265.08560	8.6
265.12173	13.1
266.05679	0.6
266.09109	1.7
266.12521	1.2
267.06522	1.0
267.10092	2.0
268.04019	0.2
268.07217	1.2
268.09995	0.2
269.04623	0.2
269.08035	0.6
273.05637	0.3
273.09079	0.6
274.06134	0.7
274.09671	0.5
275.06970	4.2
275.10568	2.0
276.04727	0.2
276.07791	5.6
276.11008	0.5
277.08572	18.8
278.05768	3.1
278.09296	20.1
279.06448	2.1
279.09988	5.3
280.07236	0.7
280.10828	4.7
281.04388	1.1
281.08002	1.8
281.11462	1.0
282.05240	0.2
282.08646	0.6
283.06003	0.3
283.09613	0.3
287.06937	0.4
288.07794	1.3
289.04987	0.5
289.08527	4.4
290.05725	1.6
290.09280	4.2
291.06473	6.1
291.10095	13.5
292.07169	2.2
292.10794	7.0
292.13257	0.1
293.04938	0.5
293.08035	17.8
293.11655	24.6
294.05124	0.9
294.08517	2.5
294.12076	2.7
295.05847	0.7
295.09613	1.4
295.13226	2.2
296.06705	0.5
296.10269	0.4
296.13574	0.2
297.07501	0.8
298.04553	1.1
299.05493	0.7
301.08459	0.2
302.09299	0.2
303.06500	1.3
303.10168	1.2
304.07278	5.5
304.10349	0.2
305.08066	18.1
305.11548	1.4
306.05170	2.7
306.08716	7.3
306.11569	0.1
307.05917	1.0
307.09497	5.5
308.06863	0.7
308.10355	11.4
309.07468	2.6
309.10999	1.8
310.08185	0.8
310.11420	0.2
311.05481	0.4
311.09131	0.6
312.06149	0.7
312.09610	0.2
313.07016	4.0
314.07394	0.4
317.08139	0.5
318.08838	6.1
319.06415	0.5
319.09592	14.6
320.06732	1.4
320.10269	7.9
321.07523	23.6
321.11179	15.1
322.04709	0.5
322.07986	2.7
322.11740	2.4
323.05081	0.6
323.09119	2.7
323.12692	23.4
324.06158	0.5
324.09738	0.6
324.13046	2.3
325.07095	0.3
326.07806	3.2
327.08539	1.8
333.11130	1.2
334.08255	0.9
334.11755	0.3
335.04984	0.3
335.09103	11.7
336.06824	1.0
336.09857	24.0
337.06882	1.4
337.10361	2.4
338.07431	0.5
338.11438	0.5
339.08511	1.5
339.12256	5.4
340.09219	0.8
340.12479	0.3
341.10147	0.4
349.10654	2.7
350.11453	21.2
351.08844	4.9
351.12225	100.0
352.12659	9.2
353.09955	0.3
353.13763	0.4
363.12390	0.3
365.10297	0.2
366.10953	12.0
367.11453	1.7
381.13278	71.8
382.13672	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1329
Annotation	Phyllamyricin B
Peak:m/z	Relative Intensity
53.03936	1.2
55.05504	1.9
59.04992	4.7
67.05507	2.4
69.03424	8.8
69.07070	2.1
69.25713	8.2
73.06542	1.4
75.04478	4.7
79.05489	2.0
81.07062	5.3
83.04980	2.7
83.08634	1.2
85.06556	1.5
89.06029	5.1
91.05476	3.1
93.07045	2.8
95.08618	3.1
97.63370	1.2
98.23137	3.5
99.04453	1.2
99.08012	1.2
105.07033	3.8
107.08592	2.4
109.06515	4.1
109.10152	2.3
115.05482	2.6
117.07024	1.5
117.74711	1.1
119.08568	3.0
121.06468	1.5
121.10184	1.3
128.06239	1.4
129.07019	2.4
131.08569	2.6
133.06549	1.5
135.04385	1.7
135.08035	1.7
139.05482	1.3
143.08540	1.7
145.10150	3.6
147.11746	1.6
152.06250	1.6
155.04947	2.1
157.10112	2.7
159.11678	1.5
161.13205	1.7
165.07014	3.0
171.11658	2.7
175.03966	1.3
177.06929	1.3
178.07813	2.5
179.08572	2.5
181.06563	1.5
183.04416	1.5
183.08186	1.4
185.05951	2.7
189.07005	3.4
190.07799	4.8
191.08572	4.4
192.09358	3.1
193.10123	2.1
195.08115	2.5
199.03917	3.1
202.07751	10.4
203.08577	13.7
204.09258	3.3
205.06500	4.1
205.10178	5.5
206.07294	2.7
207.08028	4.3
207.11833	1.4
209.09583	1.4
211.14989	1.4
212.04601	2.7
213.05469	33.6
214.05862	1.8
215.08580	2.2
217.06502	2.2
218.07275	3.9
219.08092	7.6
220.08867	6.5
221.06024	2.8
221.09567	7.2
222.06784	1.5
222.10167	1.3
223.03922	1.7
223.07570	3.0
223.11089	1.5
225.05421	2.6
226.06223	2.4
227.03392	6.0
227.07019	2.7
228.04240	4.4
229.04959	2.3
230.07225	1.3
231.08057	14.5
232.08794	4.6
233.06012	4.9
233.09567	9.2
234.06766	4.5
234.10237	1.7
235.07524	6.4
235.11217	2.3
236.04756	1.9
236.08240	2.3
237.05496	4.9
237.09151	2.5
238.06342	1.5
239.03371	3.2
239.07115	2.2
241.04959	2.8
243.06467	13.0
245.06114	1.8
245.09581	1.6
246.06882	1.6
247.07500	8.0
247.11255	1.7
248.08308	10.6
249.05504	10.7
249.09111	14.1
250.06305	9.8
250.09706	3.7
251.03418	5.0
251.07120	5.6
252.04227	2.8
252.07985	2.0
253.08482	2.0
254.02068	1.5
255.02817	2.5
256.07358	5.1
257.04471	1.8
259.07596	10.6
260.08310	4.0
261.05463	4.0
261.09091	9.8
262.06296	3.2
262.09732	2.9
263.07071	26.3
263.10641	9.0
264.04453	2.1
264.07794	11.7
264.10834	1.5
265.05020	7.5
265.08609	19.9
266.05713	7.9
266.08801	2.4
267.02872	8.5
267.06393	3.5
267.10110	2.1
271.05951	1.5
273.05429	3.6
274.06192	4.9
275.07050	12.5
276.07776	12.2
277.05032	3.6
277.08578	23.8
278.05771	6.8
278.09378	10.3
279.06549	11.2
279.10153	17.9
280.07339	4.1
280.10709	3.0
281.04459	3.6
281.08002	3.1
282.05225	5.6
283.02402	2.7
283.05988	2.1
283.09363	1.4
287.07162	6.0
288.07968	2.9
289.05283	1.5
289.08578	33.1
290.09335	23.2
291.06528	22.1
291.10153	26.4
292.07254	10.3
292.10776	5.2
293.04663	2.7
293.08069	23.0
293.11566	3.8
294.05164	5.2
294.08725	8.3
295.02429	1.7
295.05978	3.9
295.09665	7.2
295.12915	2.1
296.06436	1.5
297.03937	6.9
297.07336	2.1
298.04703	2.9
299.05463	1.9
302.05759	10.2
303.06470	7.0
303.09546	1.4
304.07144	4.8
305.04449	4.2
305.08151	11.7
305.11453	2.0
306.05240	2.3
306.08820	30.8
307.06125	1.4
307.09637	28.3
308.06769	4.6
308.10214	5.6
309.07611	10.3
310.04727	6.1
310.08252	2.9
312.06213	1.9
313.06912	2.0
316.07281	2.7
317.08090	34.1
318.05307	1.9
318.08612	7.9
319.05991	17.1
319.09680	10.9
320.06699	4.9
320.10208	2.7
321.07687	4.1
321.11185	62.7
322.11829	17.6
323.09097	6.8
323.12686	4.5
325.07047	18.8
325.10739	9.3
326.07611	1.7
333.07510	4.6
334.08282	20.8
335.09055	19.9
336.09790	3.4
337.07047	3.5
337.10837	1.5
338.11612	4.8
349.10678	52.4
350.11432	25.0
351.08566	3.1
351.12198	13.3
352.09119	1.7
353.13873	12.1
354.14151	2.1
363.12369	1.4
365.10190	1.6
366.10928	5.8
381.13333	100.0
382.13660	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1331
Annotation	Phyllamyricin B
Peak:m/z	Relative Intensity
54.92934	0.6
55.42023	0.6
64.40270	0.6
68.54472	0.6
72.33450	0.6
85.30451	0.6
92.94891	0.6
166.57455	0.6
178.07883	1.1
189.07048	2.0
190.07703	1.1
191.08516	1.9
192.09180	1.3
194.07300	0.9
202.07770	1.4
203.08560	2.3
204.09305	0.8
205.06522	2.1
205.10181	0.8
206.07333	1.2
206.09290	0.6
207.08075	1.4
209.09659	1.4
215.08499	0.9
217.06505	1.2
218.07240	1.7
219.08035	4.2
220.08842	3.1
221.05988	0.8
221.09637	1.5
223.07407	0.7
223.33443	0.7
231.08072	2.6
232.08878	3.4
233.06000	2.8
233.09590	4.7
234.06767	2.5
235.07591	3.2
236.08301	2.6
237.09109	2.6
245.06044	1.6
246.06714	1.0
247.07506	5.9
248.08322	12.2
249.09048	6.4
250.06287	1.7
250.09627	1.4
251.10667	0.7
259.07462	2.3
260.08316	4.4
261.05423	2.7
261.09103	7.2
262.06265	2.9
262.09808	2.5
263.07047	8.4
263.10681	9.6
264.07837	6.3
265.08597	4.7
267.10257	0.9
273.05679	0.7
274.06213	1.2
275.07068	9.7
275.10410	1.4
276.07822	8.0
277.04996	1.9
277.08572	16.2
278.06067	1.2
278.09317	5.3
279.10141	10.7
280.07266	0.9
280.10992	0.8
287.07083	1.1
288.07858	3.5
289.05389	1.0
289.08536	6.6
290.05713	2.0
290.09369	5.2
291.06497	12.6
291.10138	12.3
292.07251	7.9
292.10828	4.4
293.08054	6.8
293.11362	1.3
295.09613	1.0
301.08600	0.7
302.05679	1.0
302.09317	0.6
303.06601	2.4
303.09781	1.3
304.07318	6.4
305.08008	11.6
306.05417	0.7
306.08801	9.4
307.06363	1.2
307.09592	9.7
308.06805	1.8
308.10410	3.7
316.07297	3.1
317.08038	4.0
318.05350	1.1
318.08682	6.2
319.05927	5.6
319.09634	9.6
320.06766	11.9
320.10373	3.4
321.07489	7.3
321.11209	7.9
323.09250	1.1
323.12799	0.9
331.09665	2.5
333.07556	2.2
334.08313	17.3
335.09103	57.3
336.06128	1.0
336.09689	7.1
337.10587	0.8
349.06528	1.5
349.10687	22.7
350.11469	57.6
351.08517	1.9
351.12170	15.1
352.12659	1.7
366.10928	4.8
381.13306	100.0
382.13699	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1332
Annotation	Phyllamyricin B
Peak:m/z	Relative Intensity
55.01865	0.9
56.10079	0.4
57.03424	0.4
59.04988	2.9
65.03913	0.5
67.05494	0.8
69.03417	1.0
69.07079	2.4
70.71420	0.3
73.06551	8.9
73.92855	0.4
75.04040	0.5
75.04474	5.6
79.05497	0.4
80.50468	0.4
81.07045	0.9
83.04969	0.5
87.04423	0.7
89.06004	0.6
91.05481	1.5
93.06998	0.5
95.04956	0.8
95.08562	0.5
99.04464	1.3
101.06018	1.2
105.06985	0.5
109.06483	0.6
110.03683	0.8
115.03907	0.5
115.05445	1.1
116.06256	0.5
119.04921	1.0
119.08534	0.6
123.04421	1.7
123.08041	2.0
124.05174	0.4
125.05969	2.3
128.06221	1.4
129.06979	1.2
131.08516	0.4
133.06502	0.9
135.04402	0.5
138.06778	1.0
139.07570	0.7
141.07005	1.4
143.04913	0.8
144.99376	0.4
145.06474	1.1
146.07291	0.5
149.90817	0.4
151.03943	0.8
151.07541	2.1
153.06982	0.5
157.05020	0.6
157.06456	1.0
159.08034	0.9
160.66760	0.4
165.05598	0.7
165.06996	1.5
166.07828	0.7
167.07045	2.3
167.08473	1.0
169.06474	2.3
169.10013	0.5
170.07045	0.5
171.08003	0.7
175.03893	4.9
176.06203	0.5
177.06908	0.9
178.07790	2.0
179.07024	1.8
179.08549	1.9
181.04953	0.6
181.06465	0.8
181.10068	0.9
183.04237	0.4
185.05946	1.4
187.07521	0.8
189.01869	0.5
189.05437	1.1
189.07022	1.9
190.07736	2.2
191.07079	0.6
191.08554	3.0
192.09296	3.3
193.10135	1.8
194.07327	1.4
195.08055	1.4
196.08704	0.8
197.02403	1.0
197.05980	2.5
199.03918	1.7
199.07570	0.5
202.07755	3.2
203.06981	1.0
203.08551	4.0
204.09311	1.3
205.06479	3.9
205.10172	1.7
206.07240	1.7
206.10844	1.2
207.08034	3.0
207.11710	1.1
208.08795	1.3
209.06055	0.8
209.09593	4.0
210.06708	0.6
211.07539	0.9
211.11180	0.7
212.04724	2.1
213.05438	4.0
215.03458	0.5
215.06842	1.9
215.08754	0.6
217.06369	0.8
217.10144	0.7
218.07210	2.6
219.08066	6.4
219.10017	0.7
220.08804	5.6
221.06024	1.3
221.09547	4.3
222.06656	1.3
222.10345	1.7
223.07518	1.6
223.11127	1.0
224.04643	0.7
224.08325	0.7
225.05441	1.4
225.09044	0.6
226.06215	3.0
227.06998	22.1
228.07443	2.1
229.04880	0.8
231.08064	4.4
232.08694	2.6
233.06027	3.3
233.09544	4.8
234.06752	2.3
234.10329	3.0
235.07512	4.6
235.11070	3.6
236.04619	0.6
236.08157	1.5
237.05447	1.5
237.09071	6.2
238.06207	0.7
238.09512	0.7
239.03357	1.0
239.07042	2.4
239.10677	1.0
240.04144	0.9
240.07773	1.2
241.04854	1.1
241.08572	4.7
245.05981	1.1
245.09610	1.6
246.06790	0.9
246.10242	0.6
247.07515	4.6
247.11163	0.9
248.08322	13.1
249.05440	3.5
249.09067	9.5
250.06230	3.2
250.09718	2.7
251.03397	1.5
251.06987	3.1
251.10623	2.0
252.04163	1.8
252.07716	2.8
252.11452	0.9
253.01318	1.2
253.05002	1.1
253.08562	2.1
254.05803	0.6
259.07712	3.5
260.08249	1.9
261.05539	2.4
261.09039	5.5
262.06253	1.9
262.09863	3.9
263.07037	18.4
263.10654	12.0
264.04453	3.0
264.07721	5.3
264.11227	2.4
265.05035	2.1
265.08585	12.7
265.11792	0.8
266.05750	1.9
266.09299	1.5
267.02914	1.5
267.06509	2.5
267.10168	3.8
267.13852	0.6
268.03763	1.2
268.07306	1.0
269.04486	0.8
269.07840	0.9
273.09039	0.7
274.06268	1.4
274.09488	0.5
275.07007	6.0
275.10223	0.6
276.07785	7.2
277.05035	3.4
277.08578	16.8
277.11783	0.9
278.05762	2.7
278.09308	9.4
279.06516	4.6
279.10126	7.9
280.03699	1.4
280.07248	5.2
280.10718	2.4
281.04440	1.8
281.08057	3.7
281.11337	0.9
282.05133	1.0
283.05948	0.8
283.09506	0.8
287.07071	1.3
288.07816	1.5
289.05048	1.4
289.08530	10.5
290.05777	1.7
290.09332	8.8
291.03201	0.7
291.06512	14.3
291.10126	17.9
292.03677	1.8
292.07217	5.5
292.10803	4.4
293.04486	1.3
293.08060	13.3
293.11594	2.3
294.05304	1.0
294.08691	2.3
294.12048	0.5
295.06015	5.0
295.09650	9.8
295.13254	7.3
296.03186	1.1
296.06644	1.2
296.10147	1.2
296.13428	0.8
297.03909	0.9
297.07413	0.9
301.08224	0.6
302.05710	1.5
302.09116	0.7
303.06491	2.4
303.10059	1.2
304.07291	3.4
304.10788	0.9
305.04523	0.9
305.08060	11.8
305.11615	1.3
306.05310	1.4
306.08801	20.3
307.06030	2.5
307.09531	16.6
307.12741	0.6
308.06802	2.9
308.10355	7.8
309.03918	1.1
309.07529	2.6
309.11057	2.0
310.04727	1.5
310.08264	0.6
310.11804	0.7
311.05487	4.6
311.09055	1.0
312.06256	0.8
313.06973	1.2
316.07217	1.2
317.08118	5.4
318.05554	0.6
318.08731	2.6
319.05951	4.8
319.09653	8.4
320.06699	3.3
320.10352	4.5
321.07568	3.9
321.11145	31.1
322.08200	0.8
322.11795	8.6
323.05222	0.8
323.05927	0.4
323.09088	9.6
323.12772	16.3
324.06265	0.6
324.09705	1.4
324.13095	2.0
325.07065	4.9
326.07529	0.6
327.08383	0.5
331.09763	0.7
333.07440	2.8
333.11194	1.1
334.08304	8.3
335.05515	0.9
335.09082	19.6
335.12454	0.8
336.06064	1.2
336.09756	4.5
337.07004	1.3
337.10687	3.2
338.07727	1.6
338.11444	6.5
339.08521	1.6
348.09827	1.1
349.10693	15.8
350.11429	20.3
351.08533	8.5
351.12250	16.3
352.09088	2.2
352.12762	1.6
353.13800	37.9
354.14072	4.3
363.12228	1.4
365.10175	5.4
366.10895	8.5
367.11377	1.0
381.13287	100.0
382.09012	0.8
382.13611	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1334
Annotation	Phyllamyricin B
Peak:m/z	Relative Intensity
50.52956	0.6
55.05516	1.1
57.03438	1.2
59.04992	0.7
60.39555	0.6
66.09936	0.5
67.05502	3.8
69.07084	0.6
71.16707	0.9
75.04485	3.7
79.05492	1.8
81.07051	4.2
83.04980	1.3
83.08597	1.0
89.06029	1.1
91.05465	2.5
91.38821	0.5
93.07030	2.6
95.04961	1.0
95.08608	4.0
97.06548	1.2
101.06025	2.1
105.07027	1.4
107.08609	1.7
109.10162	1.7
114.71472	0.7
115.05458	0.8
117.07044	0.9
117.62911	0.7
119.08575	1.1
121.06494	0.6
121.10181	0.6
121.89954	0.7
123.08061	0.6
123.11743	1.0
126.03127	0.9
128.06210	1.0
129.07011	1.1
131.08603	1.2
143.08604	1.1
145.10097	1.3
149.09589	0.8
152.06247	0.7
153.06993	0.8
153.09129	1.9
157.10196	1.3
159.08009	0.9
159.11723	0.9
161.13333	0.9
165.07045	1.1
169.06491	1.6
171.08058	0.7
173.13397	1.0
178.07797	1.8
179.08665	0.9
181.06499	2.3
183.08113	0.7
185.06073	0.9
185.13266	0.8
189.07037	1.0
190.07779	1.0
191.08498	1.6
192.09358	1.9
193.10217	0.8
195.08167	0.8
197.06018	1.6
197.13116	0.7
198.06731	0.8
199.03918	1.6
199.07452	0.7
201.05464	1.0
202.07770	2.9
203.08566	3.1
204.09279	0.9
205.06508	2.6
205.10158	1.5
206.07333	1.5
207.08093	2.1
208.05229	1.1
209.05978	1.4
209.09677	1.8
210.06900	0.7
211.07515	0.9
212.04671	0.8
213.05484	3.8
214.06201	1.3
215.07043	0.8
217.10094	0.8
218.07309	1.3
219.08121	3.7
220.08804	3.8
221.05949	1.0
221.09616	2.1
222.06754	1.6
222.10320	0.8
223.07579	1.6
224.08298	0.9
225.05518	1.0
226.06267	1.3
227.07037	3.5
229.04935	4.1
231.07971	3.6
232.08783	1.8
233.05998	2.1
233.09628	3.7
234.06688	1.7
235.07544	3.7
235.11267	2.1
236.04726	1.0
236.08359	0.7
237.05461	2.6
237.09155	2.7
238.06268	1.6
239.03430	0.9
239.06987	5.2
240.07751	3.3
245.09648	0.7
247.07518	5.5
248.08344	6.9
249.05556	3.2
249.09100	5.2
250.06335	3.6
250.10013	1.0
251.03465	1.0
251.07016	3.7
252.04219	1.4
252.07819	2.1
253.04951	0.9
253.08606	1.7
259.07773	2.8
260.08240	1.3
261.05615	1.4
261.09155	2.7
262.06201	1.9
262.09891	1.7
263.07047	10.0
263.10675	7.1
264.04205	7.5
264.07776	4.3
264.11365	1.2
265.04996	2.4
265.08612	7.5
266.05746	3.1
266.09164	0.9
267.06525	1.8
267.10159	2.7
273.05435	1.2
274.06216	0.8
275.06964	5.1
276.07825	5.8
277.05035	2.0
277.08612	9.0
278.03091	0.6
278.05786	3.3
278.09384	5.5
279.06555	5.7
279.10199	4.7
280.03775	1.9
280.07278	3.6
280.10385	1.0
281.04440	1.0
281.08096	1.9
282.05212	0.9
282.08450	0.7
287.07074	1.0
288.07776	1.5
289.05014	1.7
289.08640	7.8
289.25284	2.6
290.05917	1.5
290.09387	5.5
291.06534	9.2
291.10138	13.0
292.03699	5.1
292.07260	4.9
292.10730	2.5
293.04678	1.1
293.08102	12.9
293.11606	2.0
294.05176	2.2
294.08807	5.1
295.06049	5.5
295.09637	3.8
295.12973	1.2
296.06711	1.1
297.07477	1.0
299.05701	0.7
301.08545	0.9
302.05765	2.3
303.06506	3.5
303.81189	0.7
304.07217	3.0
304.10461	0.6
305.04443	2.1
305.08124	6.9
305.11539	0.7
306.05264	3.5
306.08850	14.2
306.12189	0.5
307.05966	3.9
307.09622	13.3
308.06793	3.4
308.10315	3.2
308.29614	0.6
309.04147	0.9
309.07614	8.7
309.11020	0.8
310.04874	1.2
310.08282	4.9
316.07254	1.6
317.08081	10.9
318.05252	2.0
318.08850	3.4
319.06009	10.4
319.09698	7.5
320.06769	7.6
320.10495	1.9
321.07574	18.6
321.11258	10.6
322.08151	3.1
322.11810	1.9
323.05362	0.5
323.09103	10.3
323.12793	8.3
324.09717	1.7
324.13150	1.1
325.07071	18.2
325.10733	7.4
326.07529	1.5
326.11194	0.7
331.09631	2.4
332.10443	3.6
333.07571	12.3
333.11136	1.4
334.08340	25.4
335.09015	8.7
336.06265	1.4
336.09894	2.5
337.06998	5.2
337.10782	3.5
338.07587	1.4
338.11444	7.4
339.08612	0.8
339.12238	1.6
348.09958	2.3
349.10709	32.9
350.11429	19.1
351.08530	8.2
351.12332	15.5
352.09109	1.9
352.12744	1.6
353.10123	0.4
353.13882	11.8
354.14230	1.0
363.12219	5.0
366.10999	5.7
367.11401	1.1
368.36371	0.7
381.13330	100.0
381.27945	1.4
382.13660	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1331
Annotation	Phyllamyricin B
Peak:m/z	Relative Intensity
55.05534	0.7
62.01846	0.6
65.03979	0.7
67.05490	1.3
69.03457	0.9
69.07110	1.0
69.33825	4.4
72.66000	0.6
79.05507	1.2
81.07073	2.2
83.05028	0.8
83.08609	0.8
87.47095	0.6
91.05497	1.8
91.68131	0.7
93.07082	2.3
95.05002	0.9
95.08637	1.9
105.07063	2.1
107.08629	1.6
109.10214	0.7
115.05521	0.9
117.07063	0.9
119.08604	2.5
120.63394	0.6
121.06537	1.3
121.10149	1.2
123.08076	0.7
129.07007	0.7
131.08612	1.7
133.10167	1.1
135.08086	1.9
136.59789	0.7
141.07124	0.6
143.08629	0.8
145.10170	1.4
145.81627	0.6
147.11668	0.9
149.09615	0.8
152.06358	0.6
155.08582	0.8
157.10129	1.3
161.13239	0.8
165.07129	1.1
166.07787	0.8
169.10185	0.8
171.08075	0.9
171.11678	1.4
173.09761	0.8
178.07802	1.6
179.03465	0.7
179.08691	1.0
180.09271	0.9
181.06485	0.9
181.10146	1.4
183.11729	1.1
185.13190	0.8
187.07599	1.3
187.11176	0.9
190.07848	0.9
191.08595	2.1
192.09259	1.1
193.10207	1.7
194.07349	1.0
195.08031	1.0
195.11609	0.8
197.13231	0.8
199.11183	1.3
199.15034	0.9
202.07802	1.4
203.08566	1.9
205.06468	1.5
205.10158	0.8
206.07283	1.5
207.08057	1.4
207.11760	0.8
208.08784	0.8
209.06166	0.8
209.09543	3.1
211.07477	0.8
219.08073	4.1
220.08836	2.2
221.06001	0.6
221.09576	3.2
222.06818	1.6
223.07597	1.4
224.08398	1.0
225.12827	0.9
227.06990	3.1
231.08023	1.9
232.08853	1.4
233.06001	1.8
233.09679	1.7
234.06749	2.6
234.10355	1.1
235.07541	3.2
235.11160	1.9
236.08301	2.0
236.12041	0.9
237.05521	1.6
237.09117	5.4
239.07079	1.8
240.07832	1.1
245.05975	0.8
247.07527	5.9
248.08334	6.7
249.05573	1.7
249.09050	8.0
250.06303	4.3
250.09735	2.0
251.06973	2.1
251.10770	2.0
252.07791	2.3
252.11409	0.9
253.08534	1.4
255.06514	5.4
259.07642	1.1
261.05606	1.0
261.09274	1.7
262.06201	1.6
262.09915	1.4
263.07004	4.6
263.10693	4.3
264.07886	4.3
264.11292	3.1
265.05075	1.7
265.08627	11.7
265.11743	0.9
266.05792	0.9
266.08972	1.3
267.07346	0.7
267.10184	4.7
267.13803	0.9
269.08215	1.7
271.06003	1.7
275.07065	3.2
276.07672	4.3
277.05484	1.4
277.08517	7.4
278.05975	1.0
278.09387	2.8
279.06577	3.2
279.10175	3.9
280.07324	3.9
280.10974	3.1
281.08157	1.0
281.11624	0.7
283.06049	4.1
283.09366	1.0
289.08780	1.3
290.05728	1.5
290.09369	1.7
291.06509	3.9
291.10153	8.8
292.07333	9.7
292.10880	4.3
293.08032	7.7
293.11359	1.2
294.05322	1.6
294.08746	1.6
295.06378	1.0
295.09671	6.0
295.13089	1.3
296.10101	0.8
297.07687	1.2
297.11166	1.8
298.08347	12.6
299.09024	2.0
303.06656	1.2
304.07159	1.0
305.04599	0.8
305.08118	4.6
305.11194	0.8
306.05215	1.9
306.08914	4.8
307.05988	2.3
307.09579	20.8
308.06766	4.6
308.10373	6.4
309.07556	6.4
309.11179	2.2
310.08755	0.8
310.11926	3.4
311.05573	1.1
313.07208	0.7
313.10641	7.9
318.05237	1.1
318.08759	1.3
319.06232	1.0
319.09509	4.2
320.06818	1.1
320.10184	1.3
321.04117	0.8
321.07565	1.9
321.11160	3.4
322.08301	2.7
322.11911	14.0
323.09106	14.9
323.12781	7.8
324.09625	1.2
324.13101	0.7
326.07831	2.1
327.08441	0.8
334.08313	2.2
335.09067	4.7
336.06250	4.4
336.09738	1.1
337.10767	1.6
338.11502	6.5
341.10242	6.0
349.10712	4.9
350.11496	3.6
350.15475	0.6
351.08572	23.1
351.12296	2.5
352.08853	2.3
353.13821	100.0
354.14145	9.5
363.23499	0.8
366.10965	33.6
367.11325	3.2
378.95050	0.7
381.13287	55.1
381.26349	11.8
382.13712	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15958	0.4
55.01881	0.5
55.05527	1.4
57.07076	2.0
62.13211	0.4
65.03945	0.4
67.05505	2.2
69.07086	1.5
71.04991	0.4
71.30630	0.4
79.05495	2.3
80.24747	0.4
81.07053	2.2
82.78601	0.4
83.04996	1.4
83.08648	0.8
91.05452	2.0
92.06207	0.4
93.07040	3.2
95.04951	0.8
95.07013	0.4
95.08598	3.1
105.07017	2.5
107.08553	2.3
109.06541	1.2
109.10186	1.8
111.08092	0.8
115.05503	0.5
117.07014	0.7
119.08585	2.4
121.06516	0.5
121.10191	1.6
123.08080	0.7
123.11730	0.8
129.07045	0.9
131.08598	1.8
133.09267	0.7
133.10115	2.7
133.23062	0.4
135.11717	1.3
137.05974	0.5
137.09705	0.5
141.07018	0.6
142.07817	0.8
143.08537	2.5
144.09242	0.5
145.10146	2.0
147.11737	1.4
153.07124	0.4
155.08528	1.1
156.09343	0.6
157.10118	3.0
159.11760	1.6
161.13310	1.1
163.11270	0.4
165.07056	1.3
166.07829	0.5
167.08498	0.6
169.07997	0.4
169.10158	1.0
170.10918	0.5
171.11711	2.4
173.13297	1.4
177.06987	0.6
178.07822	1.3
179.08611	1.2
181.06476	0.5
181.10144	1.5
183.11688	1.1
185.13297	3.0
187.11240	0.6
187.14890	1.2
189.07066	0.7
190.07782	1.1
191.08507	2.5
192.09329	1.3
193.06496	0.5
193.10185	1.6
194.07274	1.0
194.10942	0.7
195.08067	1.0
195.11707	0.8
196.12279	0.5
197.06020	0.7
197.09747	0.5
197.13324	1.9
199.14958	1.0
202.07825	1.4
203.08553	2.2
203.18024	0.6
205.06458	2.4
205.10152	0.9
206.07240	1.3
207.08040	1.9
207.11629	0.6
208.08908	0.7
209.06108	0.8
209.09610	2.5
209.13316	0.6
210.06763	0.7
211.07558	1.1
211.14818	0.6
212.08325	0.5
213.16423	0.9
218.07330	1.3
219.08020	5.0
220.08777	2.8
221.06093	0.6
221.09563	2.4
221.13142	0.6
222.06783	1.9
222.10260	0.6
223.07607	1.0
223.11166	1.0
223.14833	0.7
224.08391	1.1
225.16420	0.6
227.06970	3.2
227.17986	1.4
229.08641	0.7
231.08081	1.7
232.08824	0.9
233.06052	2.6
233.09619	2.8
234.06754	4.0
234.10315	0.8
235.07515	3.6
235.11172	1.6
236.08252	2.4
236.11940	0.5
237.05476	1.9
237.09081	5.5
237.12711	0.4
238.06171	0.8
239.07031	1.0
239.10638	0.5
239.18082	0.8
240.07822	1.1
240.18648	0.5
241.08623	0.8
241.19579	2.3
243.21138	1.2
245.09491	0.5
246.06784	0.8
246.10258	0.5
247.07533	5.9
248.08302	7.9
249.05435	1.1
249.09111	9.9
249.16316	0.4
249.21956	0.5
250.06216	5.0
250.09840	1.3
251.06885	2.6
251.10689	1.7
252.07816	2.8
252.11383	0.9
253.08659	0.9
254.05937	0.5
255.06505	5.4
256.07056	0.6
259.07663	1.2
260.05099	0.4
260.08252	1.0
261.05457	1.1
261.09146	2.7
262.06317	1.3
262.09866	1.4
263.07071	5.0
263.10703	5.6
264.07864	4.6
264.11301	4.4
265.05093	1.3
265.08588	13.6
265.11658	0.8
266.05893	0.8
266.09109	1.6
267.06686	1.1
267.10172	5.4
269.08054	2.6
271.06073	1.6
274.06320	0.9
275.07034	3.1
276.07770	5.3
277.05136	1.1
277.08557	9.5
278.05750	2.3
278.09274	3.3
279.06577	3.6
279.10165	5.3
280.07336	4.7
280.10934	2.6
281.04807	0.5
281.07965	1.2
281.11548	0.8
282.08890	1.0
283.06049	4.6
283.09152	0.6
288.07782	0.9
289.08450	2.0
290.05734	1.1
290.09366	2.9
291.06537	5.2
291.10175	9.8
292.07297	9.5
292.10925	6.3
293.04773	0.8
293.08066	8.4
293.11658	2.2
294.05319	1.8
294.08563	1.0
295.06342	0.7
295.09662	7.7
295.13229	2.4
296.06772	0.5
296.10080	0.7
297.11270	1.1
298.08340	14.0
299.09003	1.4
303.06522	0.8
304.07364	1.5
305.04510	1.0
305.08136	5.3
305.11194	0.5
306.05237	1.7
306.08844	5.3
307.06119	2.1
307.09592	22.0
307.22827	0.5
308.06781	4.3
308.10352	6.2
309.07565	6.7
309.11169	2.4
310.08762	0.5
310.11893	3.2
311.05518	1.5
313.07275	0.5
313.10696	8.8
314.11047	1.0
316.07388	0.5
317.08295	0.7
318.05252	0.8
318.08890	0.7
319.06021	1.3
319.09659	4.7
320.06686	2.2
320.10385	2.5
321.04257	0.7
321.07504	2.3
321.11215	4.5
322.08307	2.7
322.11890	15.8
323.09116	14.5
323.12762	9.2
323.20056	0.6
324.09592	2.1
324.13217	0.9
326.07855	3.2
327.08347	0.6
333.07571	0.9
334.08423	3.2
335.05450	0.7
335.09146	6.8
336.06210	3.7
336.09869	1.4
337.10602	0.9
338.11401	6.9
341.10199	6.9
349.10706	6.2
350.07779	0.7
350.11459	7.1
351.08585	23.1
351.12210	2.0
352.09024	3.1
353.13824	100.0
354.14157	10.3
366.10977	35.8
367.11301	4.2
381.13297	54.5
381.23773	1.7
381.28326	4.4
382.13681	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1331
Annotation	Phyllamyricin B
Peak:m/z	Relative Intensity
53.21423	0.6
55.05524	0.7
57.07079	0.9
57.19828	0.7
59.85228	0.6
67.05496	2.0
69.07066	1.0
69.36007	3.2
70.17679	0.7
71.04995	0.7
79.05480	1.1
81.07047	2.0
82.79836	0.5
83.04978	0.7
91.05473	1.1
93.07037	2.0
95.08599	2.8
105.07028	1.8
107.08585	1.2
109.06505	0.9
109.10165	1.5
117.07056	0.8
119.08562	1.1
121.10117	1.3
131.08510	0.7
133.10149	1.5
135.11659	0.9
137.09630	0.8
137.36174	0.6
143.08522	1.0
144.33377	0.7
145.10117	1.7
147.11632	1.1
155.08553	1.0
157.10126	2.5
159.11702	1.1
161.13248	0.7
165.07019	1.7
165.12688	1.1
171.11723	0.8
178.07726	0.9
179.08447	1.1
181.06386	1.2
181.10071	1.0
183.11621	1.0
185.13216	1.6
186.00188	0.6
189.07037	0.9
190.07753	1.1
191.08560	1.8
192.09303	1.3
193.10133	1.4
194.07245	1.7
195.08003	0.7
197.13126	0.8
198.06746	0.7
199.14818	0.9
202.07761	1.3
203.08517	1.3
205.06503	2.3
206.07172	0.9
207.08052	2.0
208.08775	1.3
209.09612	2.5
210.06699	0.8
211.07484	0.8
211.14842	0.7
218.07228	1.1
219.08028	4.2
220.08817	2.8
221.09618	4.1
222.06717	1.5
222.09973	0.8
223.07414	1.0
224.08331	0.8
227.07042	2.1
227.18033	0.8
231.08035	2.0
232.08830	1.1
233.05916	2.1
233.09561	2.1
234.06700	2.8
235.07478	4.4
235.11125	1.4
236.08258	2.0
237.05432	1.9
237.09059	4.1
239.07094	2.0
239.10645	1.0
240.07747	0.9
241.19452	1.7
247.07520	6.0
248.08315	6.2
249.05325	1.4
249.09106	8.5
250.06219	5.5
250.09692	1.7
251.06981	3.0
251.10713	2.7
252.07787	2.8
252.11444	0.8
253.08513	1.0
255.06546	5.5
259.07382	1.1
261.05377	1.1
261.09207	3.3
262.06161	2.6
262.09796	1.3
263.07010	5.5
263.10538	4.0
264.07819	4.9
264.11029	3.2
265.05606	1.3
265.08600	13.6
266.09119	1.4
267.06537	0.7
267.10132	5.5
269.08023	2.0
270.09042	0.7
271.06210	0.7
275.07028	4.2
276.07733	5.5
277.05310	0.9
277.08524	10.7
278.05765	2.3
278.09283	4.7
279.06485	2.7
279.10077	6.3
280.07300	4.2
280.10864	3.1
281.08167	0.9
281.11447	0.7
283.05972	3.5
283.09409	1.5
288.07693	1.2
289.08548	2.0
289.21439	1.0
290.05695	1.3
290.09238	2.1
291.06506	4.9
291.10117	11.1
292.07248	10.5
292.10831	6.7
293.08047	8.0
293.11575	2.1
294.05188	2.5
294.08588	1.9
295.06219	0.9
295.09650	7.9
295.13235	1.8
296.10019	1.0
297.11035	0.9
298.08398	12.5
299.08939	2.0
303.06647	0.9
304.07196	1.7
305.04773	0.9
305.08026	4.7
306.05249	1.6
306.08774	4.9
307.06082	2.3
307.09583	22.0
307.69150	0.7
308.06735	4.4
308.10242	6.2
309.07474	7.1
309.11105	2.2
310.12106	2.1
311.05493	0.9
313.07327	0.6
313.10681	9.4
318.08765	1.2
319.06036	1.4
319.09595	4.6
320.06680	2.6
320.10309	2.1
321.04108	1.1
321.07520	2.0
321.11194	4.1
322.08206	3.5
322.11966	13.5
323.09048	13.8
323.12711	9.3
324.09473	1.8
324.12976	1.2
326.07697	3.2
334.08380	2.5
335.05701	1.0
335.09113	5.9
335.12534	1.1
336.06244	3.1
336.09772	1.5
337.06921	1.1
337.10696	1.3
338.11472	7.1
339.11996	1.0
341.10220	5.4
342.10727	0.9
349.10608	5.1
350.07755	1.0
350.11423	5.9
351.08588	24.1
351.12198	2.1
352.09018	2.5
353.13828	100.0
354.14133	8.9
366.10950	34.4
366.14767	0.8
367.11502	3.4
381.13217	63.5
381.28018	3.2
382.13617	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.5
57.07065	1.2
60.94419	0.8
67.05508	2.1
67.08548	0.9
67.58857	0.8
69.07078	1.6
69.33706	6.9
71.08641	1.2
77.25415	0.8
79.05487	3.0
81.07051	3.0
83.04987	3.6
91.05473	1.8
93.07052	4.5
95.04984	1.5
95.08611	3.6
99.04487	1.0
99.08120	1.0
104.11134	0.9
105.07025	2.4
107.08599	2.5
109.06535	3.0
109.10181	1.5
117.07064	1.1
119.08590	1.9
121.06532	1.0
129.06963	1.5
131.08533	1.5
133.10155	1.7
135.08066	1.6
135.11694	1.1
141.07063	1.0
143.08582	1.5
145.10156	2.1
147.11772	1.0
157.10161	1.5
159.11778	2.0
160.11151	1.0
163.11195	1.2
165.07057	1.1
165.12732	5.2
169.10132	1.2
169.16165	1.0
171.11736	1.6
171.50299	0.9
175.11189	0.9
178.07840	2.0
179.03328	1.1
179.08652	1.5
181.10080	1.1
183.11644	1.2
185.13255	2.0
189.07027	1.0
191.08611	2.3
191.14267	1.4
192.09305	0.9
193.10162	1.4
194.07350	1.9
195.08226	1.3
195.11705	1.6
199.14711	1.1
202.07722	1.0
203.08568	1.3
205.06493	2.0
206.07210	1.7
207.08133	1.6
209.09576	2.9
211.07507	1.1
218.07309	1.3
219.08037	5.1
220.08850	2.2
220.14908	1.0
221.09714	1.8
222.06848	2.5
223.07613	1.1
227.07091	3.4
231.08086	1.3
233.06012	2.6
233.09615	2.5
234.06770	2.5
235.07556	4.0
235.11176	2.2
236.08371	1.7
237.05464	2.0
237.09148	4.1
239.07034	1.2
239.10594	1.1
240.07709	1.1
241.19498	2.2
247.07605	3.9
248.08350	5.8
249.05539	1.7
249.09088	8.3
250.06248	2.8
250.09885	1.9
251.06989	3.5
251.10803	1.7
252.07765	2.4
253.04893	1.2
253.08731	1.3
255.06404	5.2
260.08377	1.4
261.05551	1.4
261.09164	2.2
262.06238	2.2
262.09720	2.1
263.07138	4.9
263.10638	5.3
264.07864	3.5
264.11490	1.9
265.05090	1.7
265.08606	11.9
266.05762	1.1
266.09097	1.1
267.06525	1.0
267.10135	5.1
269.08078	1.4
271.06012	1.5
275.07047	3.0
276.07993	4.4
277.05515	1.4
277.08612	8.6
278.05768	1.8
278.09396	2.4
279.06506	3.0
279.10175	3.5
280.07260	3.5
280.10873	2.6
281.08035	1.1
283.06110	4.3
283.09280	1.1
289.08688	1.1
289.21536	8.1
290.05887	1.2
290.09464	2.0
291.06519	3.8
291.10162	8.9
292.07330	7.3
292.10913	6.0
293.08069	9.1
293.11145	1.8
294.05386	1.8
295.06253	1.5
295.09647	6.6
295.12863	1.6
298.08313	14.0
299.05563	3.0
299.09094	1.6
305.04681	1.6
305.07941	4.3
306.05508	2.0
306.08850	5.9
307.06058	2.1
307.09579	22.2
307.22882	1.2
308.06726	3.4
308.10355	6.0
309.07523	6.5
309.11176	2.7
310.12051	2.7
313.10565	9.3
318.08981	1.9
319.06183	2.1
319.09753	5.1
320.06699	3.2
320.10306	2.0
321.07486	2.8
321.11224	5.0
322.08273	2.6
322.11896	13.6
323.09106	13.2
323.12759	8.3
324.09805	1.6
326.07895	1.9
334.08344	3.2
335.09122	5.7
336.06256	5.0
336.09610	2.1
338.11465	7.1
339.11938	1.1
341.10126	5.6
349.10696	5.6
350.11273	5.9
351.08582	23.8
351.12195	1.9
352.09085	2.1
353.13824	100.0
354.14240	10.0
366.10995	34.2
367.11426	3.2
381.09607	1.8
381.13312	51.6
381.27148	4.0
382.13907	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1332
Annotation	Phyllamyricin B
Peak:m/z	Relative Intensity
55.05507	4.9
59.04998	5.2
60.66471	1.5
67.05499	3.4
69.03435	5.7
69.07072	3.6
71.30005	2.3
71.30368	2.2
75.04473	2.1
77.19575	1.5
79.05511	2.8
81.07081	7.3
83.04990	3.7
89.06036	6.4
91.05498	4.2
93.07038	3.7
95.08617	5.4
98.23013	1.5
105.07050	5.3
107.08548	1.8
109.06557	3.3
109.10163	2.8
119.08601	3.4
121.63291	1.3
129.07094	2.1
131.08563	3.2
133.10120	2.6
135.08130	2.0
137.09584	1.7
145.10139	2.7
152.09323	1.4
155.08539	1.6
157.10167	1.9
158.10550	1.9
159.11743	2.1
162.86415	1.6
165.07175	1.8
169.10234	1.8
173.13423	1.8
175.04094	1.9
178.07712	2.9
179.08649	2.5
185.05936	1.6
189.05391	1.9
189.07063	3.9
190.07774	5.8
191.08501	3.9
192.09311	3.0
193.10208	2.0
197.05995	1.6
199.03946	2.4
202.07739	7.9
203.08574	10.7
204.09209	2.5
205.06570	4.0
205.10161	3.1
207.08026	2.1
213.05464	29.2
214.05692	1.5
215.08554	1.8
217.06392	1.9
218.07190	3.2
219.08130	4.7
220.05185	1.8
220.08847	4.9
221.06091	2.1
221.09666	4.2
227.03520	4.5
227.06863	2.8
228.04201	4.8
229.04842	2.0
231.07991	12.3
232.08763	3.7
233.06088	5.0
233.09695	5.1
234.06714	2.3
235.07481	7.1
237.05409	2.8
237.09198	1.8
238.06154	1.6
243.06389	10.8
247.07574	4.8
248.08366	6.8
249.05479	7.0
249.09161	8.4
250.06230	5.0
251.03506	5.7
251.07042	3.1
252.04199	2.5
255.02831	2.2
256.07336	6.2
257.04434	2.9
259.07593	8.4
260.08258	2.8
261.05487	2.5
261.09171	6.3
262.05862	1.6
263.07065	17.3
263.10657	3.6
264.05307	1.5
264.07697	7.2
265.04996	5.1
265.08566	15.7
266.05722	6.0
267.02771	7.0
267.06519	2.4
273.05783	1.6
274.06284	5.6
275.07089	8.9
275.10287	1.5
276.07837	7.0
277.05127	4.3
277.08624	13.6
278.05768	6.6
278.09311	5.2
279.06577	7.0
279.10208	9.1
280.07486	2.1
280.10608	3.3
281.08026	2.8
282.05408	4.7
283.02438	3.6
284.03146	5.7
287.07324	3.4
289.05386	2.9
289.08554	24.5
290.06027	2.7
290.09320	18.8
291.06561	17.4
291.10175	18.8
292.07248	6.9
292.10645	2.3
293.08096	20.3
293.11395	2.5
294.05325	3.5
294.08728	3.6
295.06082	5.2
295.09534	3.0
297.03928	5.9
299.05444	17.1
299.08502	2.3
300.05771	1.7
302.05768	6.9
303.06558	4.1
304.07352	3.1
305.04742	3.0
305.08215	7.3
306.05505	1.9
306.08844	24.5
307.06128	1.8
307.09531	19.6
308.06778	4.1
308.10257	3.1
309.07611	7.6
310.04874	7.7
310.08130	2.5
313.06833	2.1
316.07294	1.7
317.08066	31.3
318.08716	6.2
319.05988	11.3
319.09659	11.6
320.06635	4.9
320.10175	2.2
321.07629	4.1
321.11163	50.4
322.11795	14.4
323.09247	4.7
323.12820	3.3
325.07083	18.4
325.10690	4.1
331.09769	2.3
333.07642	4.6
334.08389	14.8
335.08917	7.6
337.10596	2.1
338.11472	3.5
349.10657	51.6
350.11493	9.7
351.08582	6.4
351.12439	5.4
352.09064	2.5
353.13934	9.4
365.10205	4.6
366.10980	2.8
381.13367	100.0
381.27618	7.1
382.13785	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1333
Annotation	Phyllamyricin B
Peak:m/z	Relative Intensity
51.86779	0.5
55.05511	0.9
57.03439	0.8
57.59557	0.5
59.04989	0.8
67.05495	0.9
71.15837	1.3
75.04480	3.6
77.76169	0.5
79.05502	0.9
81.07045	1.1
89.06026	1.1
91.05486	0.8
91.78546	0.5
93.07063	1.2
95.08598	0.8
101.06008	2.5
105.06998	1.2
107.08592	1.2
109.10150	0.7
119.08569	1.3
121.06516	1.5
125.05984	0.7
126.03116	0.7
128.06183	0.8
129.07010	1.1
131.08598	0.8
137.05995	0.8
140.51596	0.6
141.05482	1.1
141.06981	0.8
143.08551	1.7
145.06503	0.7
146.06734	0.8
152.06213	1.2
153.07007	1.3
153.09091	2.1
155.06947	0.5
157.10115	0.9
157.25282	0.5
159.11728	0.9
165.06995	1.7
166.07803	0.9
167.07120	1.2
167.08424	0.9
169.06508	1.2
171.08095	0.7
177.07079	0.6
178.07777	1.9
179.08525	1.4
181.06522	1.7
181.10034	1.0
183.11786	0.8
184.05270	0.6
185.06013	0.5
189.06967	1.4
190.07758	1.3
191.08554	2.0
192.09348	2.0
193.10164	0.7
195.08070	1.5
196.08853	0.6
197.05997	2.0
198.06516	0.9
199.03931	1.1
201.05461	0.7
202.07867	3.0
203.08537	3.5
204.09213	1.3
205.06499	2.3
205.10126	1.2
206.07288	1.2
207.08047	2.8
208.05237	1.6
208.08655	1.0
209.05963	1.4
209.09650	1.9
210.06836	0.7
211.07549	0.7
212.04568	0.9
213.05424	5.1
214.05997	0.8
215.06921	1.3
218.07187	1.2
219.08046	4.2
220.05124	0.7
220.08786	4.4
221.05968	1.4
221.09543	2.7
222.06912	0.8
223.07532	1.5
224.04649	1.0
225.05386	0.9
226.06177	1.3
227.03514	0.9
227.07083	3.2
229.04910	3.9
231.08061	5.1
232.08752	1.9
233.06007	2.0
233.09634	3.0
234.06682	1.9
234.10336	0.9
235.07513	4.4
235.11208	1.6
236.04689	1.5
237.05540	3.2
237.09135	3.6
238.06133	0.8
239.03300	1.0
239.06978	7.6
240.04112	0.8
240.07796	2.9
241.08528	2.1
243.21179	1.3
245.05803	1.1
245.09660	1.0
246.06750	0.8
247.07552	4.8
248.08351	8.0
249.05403	4.1
249.09056	4.8
249.85822	0.6
250.06197	2.7
250.09874	1.2
251.03325	1.0
251.06985	4.3
251.10771	0.9
252.04147	1.8
252.07881	2.8
253.08508	1.8
258.06708	0.9
259.07935	3.1
260.08237	1.9
261.05469	2.6
261.09003	4.1
262.06265	1.2
262.09860	2.1
263.07065	10.8
263.10651	6.1
264.04187	9.1
264.07663	4.4
264.11240	1.1
265.05029	2.6
265.08606	8.9
266.05759	3.6
266.09128	1.0
267.06854	1.4
267.10178	3.1
273.05499	0.9
274.06232	1.6
275.07077	5.6
275.10278	1.3
276.07886	6.3
277.05008	2.1
277.08578	10.2
278.05728	4.4
278.09363	4.1
279.06531	7.4
279.10059	3.9
280.03653	1.9
280.07257	4.6
280.10269	1.1
281.04291	1.7
281.08051	2.8
287.06946	2.2
288.07916	1.2
289.04993	1.8
289.08627	8.6
290.05865	1.3
290.09299	5.1
291.06522	10.6
291.10147	14.2
292.03632	4.7
292.07263	5.2
292.10760	2.6
293.04510	1.8
293.08035	17.0
293.11194	1.2
294.05212	3.7
294.08804	7.1
295.05991	6.1
295.09659	5.0
295.13052	1.1
296.06610	1.2
301.08453	0.9
302.05667	2.2
302.08997	0.7
303.06744	3.3
303.09863	1.1
304.04031	1.0
304.07288	3.3
305.04480	2.7
305.08096	7.2
305.11496	0.7
306.05231	3.4
306.08847	12.5
307.05930	3.9
307.09616	11.7
308.06754	3.9
308.10324	4.4
309.04181	1.1
309.07556	8.3
309.10980	1.2
310.04681	1.6
310.08344	5.8
310.11777	1.2
311.05475	1.2
311.09024	0.8
316.07434	1.8
317.08078	14.2
318.05255	2.4
318.08728	2.8
319.05984	13.0
319.09680	7.5
320.06705	8.4
320.10333	2.2
321.07553	21.1
321.11237	12.0
322.04706	1.0
322.08188	3.0
322.11874	2.5
323.05670	0.6
323.09125	11.2
323.12799	5.6
324.09702	2.9
325.07053	18.2
325.10724	7.3
326.07498	2.0
326.11115	0.9
331.09671	3.8
332.10477	2.9
333.07547	15.5
333.10849	1.1
334.08340	29.9
335.05368	0.6
335.09003	11.2
336.06433	1.4
336.09708	3.6
337.06998	5.6
337.10773	4.2
338.07620	1.1
338.11432	6.8
339.08527	1.3
339.12192	1.5
348.09976	1.9
349.10693	38.1
350.11426	22.0
350.15796	1.0
351.08527	7.2
351.12268	13.1
352.09216	1.8
352.12967	1.2
353.13824	14.2
354.14041	1.3
363.12238	5.5
364.12784	0.8
366.10941	4.6
367.11267	0.8
381.13321	100.0
382.13638	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42404	1.1
67.01659	1.0
69.34726	1.1
71.32213	1.6
81.07104	1.1
95.08585	1.9
110.69151	1.2
144.06577	1.2
165.12701	1.8
181.10039	1.4
186.06532	24.2
187.07211	2.1
206.07317	1.7
209.09653	2.0
218.07280	1.3
219.08063	2.1
220.08664	1.3
221.09552	1.3
227.07021	1.3
234.06908	1.8
235.07544	2.1
235.11176	1.5
236.08502	1.2
237.09148	2.4
237.44827	1.1
247.07632	3.1
248.08368	3.9
249.09164	4.9
250.06311	3.1
251.10718	1.3
252.07771	1.5
255.06480	2.0
261.09125	2.0
263.07047	3.4
263.10712	2.9
264.07889	1.7
265.08582	6.9
267.10104	2.7
269.08200	1.3
275.07202	1.6
276.07947	2.1
277.08646	4.9
278.05634	1.5
278.09537	1.3
279.06573	1.7
279.10248	2.8
280.07306	1.8
280.10974	1.8
283.06119	1.9
289.21695	1.5
291.06607	3.2
291.10172	5.1
292.07330	5.3
292.10968	3.8
293.07938	5.5
294.05069	1.9
295.09717	4.3
297.11172	1.3
298.08389	6.3
305.08124	3.7
306.05487	2.4
306.08746	2.2
307.06268	2.0
307.09622	13.3
308.06738	3.3
308.10156	2.7
309.07571	3.7
309.11157	2.5
313.10779	3.6
319.09647	3.4
320.10385	1.9
321.07806	1.4
321.11288	3.5
322.08670	2.1
322.11926	8.4
323.09100	6.5
323.12781	4.9
326.08035	2.1
334.08496	2.0
335.09128	2.6
336.06366	3.1
338.11508	4.2
341.10257	4.6
349.10791	4.3
350.11493	3.1
351.08536	11.8
351.12051	1.9
352.09100	1.7
353.13818	57.4
354.14157	4.7
355.95392	1.2
359.50159	1.1
366.10980	21.7
367.11136	2.5
381.13071	19.4
381.16772	100.0
382.13055	1.6
382.17435	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.6
55.01875	9.3
55.05507	18.4
57.03426	11.3
61.02917	7.1
67.05511	39.1
69.03432	49.0
69.07062	13.5
71.30618	15.8
73.02905	9.3
73.44052	7.9
75.41518	7.8
79.05482	48.7
81.03407	20.4
81.07052	70.4
83.05000	9.5
83.08620	8.8
85.02900	74.4
91.05484	56.4
93.07043	71.1
95.04977	25.5
95.08601	50.6
96.08899	8.4
97.02889	25.3
97.06506	9.9
99.04449	11.5
103.03940	16.4
105.07040	100.0
107.08598	63.3
109.02920	11.4
109.06538	20.7
109.10155	31.5
111.04522	9.2
115.05457	7.4
117.07024	27.7
119.08569	67.2
121.10129	47.0
122.03714	7.7
123.04405	11.2
123.08076	12.7
127.03909	14.0
129.07024	15.3
131.08578	43.2
133.10165	41.8
135.04420	21.0
135.11729	13.5
137.05984	89.8
143.08569	13.3
145.04913	9.9
145.10115	68.3
147.08017	13.1
147.11678	28.2
149.13211	9.5
151.69591	7.3
153.05441	8.3
155.08519	14.7
157.10150	23.9
159.11696	46.3
161.13246	62.1
171.11691	11.8
173.13277	23.2
175.07520	55.2
175.14853	9.9
183.11678	12.5
185.13264	20.0
187.14883	11.4
189.09132	14.1
191.17856	10.7
199.14717	16.2
201.16370	86.0
203.17950	20.9
211.14951	8.8
213.09091	15.8
213.16470	12.5
219.17432	44.9
227.10724	12.4
231.17688	11.1
243.17459	13.3
257.11713	19.3
327.19635	15.6
345.20505	15.9
363.21655	16.3
381.09543	10.0
381.22635	46.4
385.70596	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	10.1
55.01871	17.7
55.05511	26.1
57.03432	18.2
57.07083	7.3
61.02922	14.4
67.05511	33.5
69.03431	61.1
69.06712	5.2
69.07068	19.7
71.04990	20.7
71.30596	6.4
71.30987	9.7
73.02919	9.7
78.69791	5.3
79.05477	35.5
80.48215	5.7
81.03420	22.1
81.07056	89.5
83.04990	20.5
85.02905	70.3
91.05488	50.0
93.07053	76.5
95.04987	18.7
95.08616	59.4
96.52427	5.0
97.02908	32.9
97.06541	5.6
99.04442	15.1
105.07039	100.0
107.08601	92.6
109.02892	11.3
109.06519	23.9
109.10146	41.4
111.04446	10.1
115.03960	5.2
115.05479	5.8
117.07039	21.1
119.08582	74.1
121.10144	71.5
123.08064	10.9
123.11720	9.3
123.95366	5.2
125.06018	5.8
125.09609	9.7
127.03941	25.0
127.11201	8.5
128.06186	6.3
129.07001	10.2
130.07779	8.1
131.08591	43.1
133.10138	44.4
135.08110	7.1
135.11725	10.6
137.06029	13.6
137.09624	13.3
142.07767	6.8
143.08583	21.5
144.09370	12.8
145.04959	12.8
145.10121	88.5
147.11690	35.0
149.13297	15.9
153.01912	5.7
157.10149	24.6
159.08044	6.9
159.11696	92.1
161.09613	9.5
161.13231	39.5
163.11191	6.6
163.14928	8.9
169.10141	13.0
171.11707	17.0
173.13287	28.2
175.07597	7.1
175.14868	9.2
183.11774	9.3
185.13351	8.3
190.13452	5.3
191.18025	8.0
193.10104	6.4
201.16393	64.8
203.18040	10.8
217.15897	10.0
219.17479	30.8
231.17432	9.5
326.67245	5.9
345.20139	6.5
349.11075	7.6
353.13754	12.6
366.10931	8.8
381.13290	17.6
381.22141	22.7
382.22162	6.3
404.58246	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79290	0.6
55.05514	4.2
57.03424	0.8
57.07054	0.9
59.04987	0.8
61.11234	0.6
65.03948	0.7
67.05506	6.7
69.07062	4.4
69.18261	4.7
71.08630	0.7
73.06536	1.2
73.76888	0.6
75.04485	0.7
79.05504	4.4
81.07064	8.5
81.40031	0.6
83.08617	2.3
91.05488	9.9
93.07047	9.0
94.66476	0.6
95.04958	1.8
95.08611	16.7
96.08922	0.7
97.06537	2.9
97.10189	0.9
99.04482	0.9
103.05519	0.9
105.07032	23.4
107.08600	12.8
109.06511	1.5
109.10150	8.9
111.04419	0.8
111.08081	2.5
113.05955	0.9
115.05482	0.9
117.07016	7.9
119.08582	34.0
120.08894	1.2
121.06523	1.4
121.10134	6.7
123.08054	3.2
123.11690	3.1
125.05963	0.8
125.09626	1.8
128.06247	1.4
129.07018	5.3
131.08568	11.6
132.09311	2.2
132.82173	0.6
133.10141	13.9
134.10397	0.8
135.08070	1.1
135.11681	4.2
137.09616	1.4
137.13269	1.0
139.07526	1.6
141.06989	1.6
141.09073	2.5
142.07785	2.5
143.08560	10.8
145.10133	10.9
147.11684	100.0
148.11989	4.4
149.09576	0.9
149.13264	1.7
155.08559	2.1
156.09401	0.9
157.10136	10.8
159.08034	0.7
159.11710	10.8
161.09634	3.5
161.13261	6.7
163.14787	1.0
169.10110	2.0
170.11011	1.4
171.11728	6.6
173.13261	11.2
175.11194	2.5
175.14822	5.7
177.12723	0.8
178.21530	0.6
179.08713	0.6
179.10634	1.3
181.10149	0.7
183.11700	2.0
184.12437	0.7
184.41727	0.6
185.13255	13.6
186.13478	1.1
187.14795	5.9
189.12752	1.1
195.11728	1.5
197.13242	3.1
198.13675	0.9
199.14833	12.0
200.15141	1.0
201.16310	2.9
203.08623	1.2
203.14326	3.5
207.11678	0.9
209.13232	0.8
211.14828	2.2
213.16379	4.9
218.75972	0.7
221.09486	0.7
221.15344	6.5
223.14857	1.6
225.16362	1.0
227.07008	2.5
227.18019	4.4
231.08017	1.1
233.09631	0.7
237.09247	0.7
237.16353	0.9
239.17924	2.1
241.19504	6.0
247.11264	0.7
247.17046	1.4
248.08339	2.3
249.09055	2.0
251.17995	1.0
252.07843	0.9
253.08356	0.7
261.09030	0.9
263.06998	2.2
263.10602	2.2
264.07785	1.5
265.08578	1.2
265.19577	0.8
276.07751	1.1
277.08777	2.4
278.09198	1.0
279.10168	1.4
280.07385	1.1
281.08145	1.3
281.22659	1.7
290.09378	1.4
291.06537	2.0
291.10168	3.4
292.10956	0.7
293.08023	1.5
293.22498	1.1
295.06152	0.8
295.09656	2.0
295.12976	0.8
304.07083	0.8
305.08051	1.3
306.08807	3.5
307.09512	2.6
307.24213	1.4
308.10501	0.8
309.07272	0.8
317.07962	0.8
319.09683	1.9
320.07062	0.8
320.10471	1.2
321.11057	2.5
321.22086	1.5
322.11838	0.9
323.09055	1.7
323.12830	1.7
325.07190	1.1
334.08429	1.0
335.09100	4.3
335.27271	1.9
338.11667	0.9
339.23148	2.6
349.10571	2.9
350.11432	4.1
351.08691	1.3
351.12408	2.8
353.13809	5.1
363.26770	2.6
366.10922	1.3
381.13342	13.8
381.17819	0.5
381.27823	9.6
382.13574	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.9
55.05518	7.8
60.48048	5.2
69.03436	15.4
69.07068	15.8
69.40063	39.4
71.05003	7.6
71.78745	6.0
79.05499	22.6
81.07065	18.7
83.04978	41.8
85.02917	23.7
93.07066	11.6
95.08626	20.4
97.02872	8.0
97.06506	13.9
107.08577	58.7
109.06516	5.8
109.10155	19.7
113.06045	9.0
121.06552	8.4
121.10161	30.5
122.10494	5.7
123.08103	13.3
125.05998	35.5
125.09625	26.9
135.33450	5.5
137.09602	11.5
139.11183	21.4
143.07043	74.3
144.14934	5.5
149.05991	9.2
155.10690	14.6
167.10678	82.1
178.12976	6.5
185.08122	24.7
185.11757	100.0
203.09245	30.5
203.12772	99.7
208.06212	5.5
247.94327	5.9
263.83856	6.8
382.16150	6.7
383.13077	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18804	1.1
55.05506	1.2
67.05511	1.5
68.73208	1.1
69.03430	2.0
69.07069	4.5
71.05006	1.1
79.05499	1.7
81.07059	4.9
83.04482	2.2
83.04980	44.9
83.39591	1.2
84.05330	1.7
85.02886	5.9
93.07070	3.7
97.02895	1.9
97.06528	8.9
99.04477	1.2
107.04928	1.8
107.08592	7.0
110.07178	2.2
121.06517	4.8
121.10140	3.5
122.71961	1.3
125.05992	43.7
126.06378	2.0
139.11162	1.5
141.60457	1.2
143.07037	100.0
144.07379	3.2
149.05988	6.6
167.07019	4.8
167.10695	4.1
171.10143	2.8
180.08604	2.3
185.08093	23.7
185.11726	6.0
203.09143	49.7
204.09576	1.7
220.11832	1.8
288.54266	1.3
291.63614	1.4
336.93884	1.2
382.11899	23.0
383.12671	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52482	2.8
57.70848	2.9
58.34515	3.2
70.11850	11.5
70.28197	3.3
95.08662	3.0
98.22689	3.9
108.46828	2.7
110.07174	7.0
114.81635	2.5
133.79468	2.8
136.06165	3.0
136.49272	3.2
148.99010	2.7
151.03897	9.1
156.07622	3.5
162.07828	3.9
163.04004	5.5
192.05252	3.2
203.03534	3.6
203.08253	3.1
221.04388	3.2
252.07303	13.3
257.04602	3.2
299.99271	4.1
383.08075	39.3
383.13196	100.0
384.13229	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0947
Annotation	Resorcinolnaphthalein
Peak:m/z	Relative Intensity
55.05487	1.2
58.99553	1.5
69.03402	1.0
70.06573	2.0
71.04995	0.8
71.29343	1.4
81.07050	0.8
83.04990	1.3
83.37717	0.8
86.99059	0.8
90.05587	1.3
91.05463	1.0
93.07028	0.9
95.04940	1.1
97.06537	1.1
98.97540	0.9
100.02199	6.4
105.06994	1.0
107.08611	1.6
108.04446	1.5
109.06440	1.0
110.07183	1.0
116.01692	5.4
116.02342	1.0
116.08154	0.8
120.50575	0.8
121.06451	1.5
121.10129	1.5
126.03716	1.7
130.06494	0.8
138.96655	0.9
139.03835	1.0
144.01128	3.2
145.02797	0.9
147.04395	1.0
149.09599	1.0
161.02928	0.9
162.02158	1.9
165.05391	1.1
167.03386	1.4
168.06589	1.1
169.12195	1.6
171.11827	1.0
175.13559	0.9
177.05417	1.1
181.04951	1.5
185.02698	1.7
185.04218	19.9
186.04509	1.0
203.04890	5.3
203.08043	1.1
221.04236	12.4
221.07762	2.8
222.07367	2.1
294.01834	0.9
323.09583	1.6
383.09262	100.0
383.12897	7.5
383.17157	20.5
384.09012	6.7
384.16861	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1125
Annotation	Austrobailignan 1
Peak:m/z	Relative Intensity
55.05502	1.3
58.87697	1.0
60.97660	1.0
67.05475	2.5
69.13330	8.3
79.05482	1.1
81.07047	1.0
83.04975	3.4
93.07056	2.3
95.08629	1.3
105.07024	2.4
109.10184	1.0
119.08603	1.1
120.48416	1.1
133.06561	1.0
133.10159	1.3
137.09639	1.9
147.11717	1.3
152.06267	1.3
158.40877	1.2
165.07043	2.0
165.09140	3.8
167.08696	1.1
169.10033	1.1
173.13620	0.9
179.08577	2.0
181.06589	1.2
193.08589	3.5
194.07219	1.7
195.08028	3.5
205.06439	2.0
207.08089	2.1
209.05934	1.8
209.09653	2.2
210.06718	1.3
213.05515	1.5
219.08081	3.1
221.05974	2.1
221.09575	1.2
222.06776	2.8
223.07565	3.5
224.08199	1.4
225.05528	2.6
225.09166	2.6
226.06210	1.2
227.06982	2.2
228.04184	1.3
233.05991	1.2
234.06898	1.6
235.07545	4.3
236.04581	1.6
237.05414	2.6
237.09103	3.0
238.06229	1.9
239.07162	2.0
240.07800	1.7
241.04958	3.0
241.08487	1.1
247.07709	1.1
249.05417	3.2
250.06250	5.6
251.03358	2.1
251.06992	8.7
252.04117	2.2
252.07669	4.8
253.04964	2.0
253.08597	4.2
254.05717	1.7
254.09404	1.1
255.06560	2.4
256.03601	1.3
257.04163	1.1
258.04233	1.7
262.06250	4.9
263.07040	9.0
264.04324	1.7
264.07663	1.9
265.05099	6.9
265.08466	9.0
266.05847	5.3
266.08844	1.2
267.03027	1.6
267.06564	6.3
267.09875	1.7
268.03867	2.1
268.07294	1.4
269.04443	2.3
275.07071	1.9
277.05267	1.8
277.08661	3.9
278.05731	3.0
279.06503	13.1
279.09885	1.6
280.03741	4.0
280.07318	10.5
281.04626	2.6
281.08060	7.4
282.05255	8.6
282.08759	2.7
283.05966	8.3
283.09381	2.4
284.03149	2.8
284.06848	2.6
285.03348	2.5
286.03674	5.7
291.06400	7.3
292.07217	2.1
293.04449	6.9
293.08047	7.7
294.05270	5.4
294.08563	1.7
295.05972	3.9
295.09665	8.6
296.06671	2.0
297.03958	6.8
297.07666	3.2
298.04596	1.8
299.05438	4.3
300.05762	6.1
301.06039	13.3
305.08145	3.5
307.06027	15.1
307.09402	1.8
308.06644	5.9
309.07547	16.3
310.04742	1.6
310.08231	2.9
311.05490	13.6
311.09180	13.9
312.06244	36.3
312.09296	1.6
313.06952	7.7
313.10294	1.8
321.07541	2.6
322.08109	1.8
323.09125	100.0
324.06134	1.3
324.09662	15.6
325.06989	6.5
325.10681	7.2
326.07825	13.9
326.11456	1.5
327.08380	2.2
333.07422	4.8
335.05252	2.3
335.09164	3.3
337.10742	2.1
338.07980	2.2
339.05042	1.0
339.08603	17.1
340.09198	6.4
341.10199	48.6
342.10486	3.5
350.07736	4.2
351.08536	5.2
353.10223	11.2
355.11746	4.1
365.10196	13.1
366.10486	1.4
368.08908	5.1
383.11041	47.2
383.24753	1.3
384.11502	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.25841	0.3
70.63013	0.7
81.56046	0.4
121.47053	0.4
126.48311	0.4
131.06827	0.4
138.30574	0.3
142.45767	0.4
200.78545	0.5
221.07945	0.9
295.90167	0.4
383.13116	100.0
384.13477	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24890	0.4
53.03948	0.5
56.96560	1.2
57.03459	0.5
58.64421	0.4
69.03425	1.4
69.25848	2.1
69.26252	1.0
70.06580	0.5
76.04319	0.4
79.66376	0.5
81.01577	0.4
81.03410	0.8
85.02898	4.8
86.09689	0.4
92.58529	0.4
97.02907	2.0
98.97583	9.7
101.00871	0.9
109.02850	0.8
111.38931	0.4
116.98626	5.8
119.01904	2.4
121.02893	1.2
121.06525	1.1
126.20380	0.5
127.03889	0.7
129.68195	0.4
130.06531	47.2
131.01932	0.8
131.06009	1.0
131.06889	2.3
132.04468	3.8
134.99648	3.2
137.02966	0.6
143.01860	0.8
144.08141	0.7
145.03490	0.8
146.06000	0.6
148.07584	0.7
153.00752	0.5
155.01906	0.9
156.06769	0.7
157.07611	79.2
158.06012	12.2
158.07906	3.9
159.06346	0.5
159.09158	1.2
161.02992	1.6
173.02983	1.0
175.08678	11.6
176.09021	0.6
178.45871	0.5
181.03406	0.5
185.03012	0.8
185.07080	3.8
186.05507	0.8
197.02953	1.3
203.08151	100.0
204.06644	0.7
204.08447	4.5
215.04030	0.6
217.09775	0.8
221.02943	1.0
221.09229	8.9
223.02647	0.5
233.06528	0.8
245.05153	1.2
245.09123	0.7
253.00687	0.4
256.97525	1.5
258.99731	6.4
259.99893	0.5
263.03787	0.6
263.06189	0.8
263.10278	1.4
265.05460	0.5
268.97632	0.9
276.13986	0.5
277.00806	9.1
278.00806	0.8
280.97482	1.6
292.97467	1.2
301.00864	0.8
310.98770	0.6
311.25372	0.5
323.06012	1.4
323.09735	1.4
341.07217	1.0
365.13434	1.2
383.08582	1.4
383.13165	8.4
384.13641	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
72.11797	0.9
75.35513	0.8
91.05499	1.0
93.22814	0.9
104.64082	0.9
106.56754	0.8
108.50911	0.9
130.06534	1.0
131.20764	0.8
228.78738	1.2
231.06528	1.0
323.12659	1.3
353.13556	3.8
365.13586	2.2
383.14633	100.0
384.14886	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.8
57.07033	0.8
59.04971	0.5
67.05446	1.6
69.07009	2.2
69.12967	4.4
79.05441	0.8
81.07000	1.6
91.05435	0.9
91.91817	0.8
93.06978	1.8
95.04932	0.7
95.08537	1.6
98.23365	1.3
104.64526	0.5
105.06980	1.4
106.15135	0.5
107.08501	1.2
109.10111	1.0
115.05389	0.8
119.08494	1.8
121.06407	0.6
121.10127	0.8
123.11647	0.8
128.06183	0.6
129.06938	0.9
131.08562	0.8
133.06438	0.6
133.10077	1.4
135.11685	0.6
141.06940	0.8
142.21512	0.6
143.08534	0.7
145.06416	0.7
145.10063	0.6
152.06065	0.8
153.06926	1.2
155.04919	1.3
155.08473	1.4
157.06403	0.9
159.08003	0.8
159.11713	0.9
161.78755	0.6
165.05411	2.9
165.06938	4.0
167.07140	0.6
167.08521	1.0
168.05574	0.7
169.06413	2.1
169.10109	0.8
170.07243	1.3
171.04367	0.7
173.09657	0.8
178.07878	0.7
179.07034	1.1
179.08495	2.5
180.05663	0.6
181.06474	2.9
182.07208	1.4
183.04411	3.8
183.08040	3.6
184.05067	1.1
184.08420	0.7
185.05898	2.0
190.07768	0.8
192.09241	2.1
193.06490	1.7
193.08392	0.6
193.10110	0.9
194.07179	1.1
195.04301	0.7
195.08017	1.7
196.05148	2.4
196.08655	0.6
197.05960	4.7
197.09573	3.5
198.06764	7.5
199.07411	1.1
202.07777	1.2
203.08565	1.1
204.09317	0.6
205.06436	1.5
205.10046	1.2
206.07248	1.2
207.04425	0.6
207.08009	2.4
207.11603	1.1
208.05124	1.2
208.08383	0.6
209.05930	1.0
209.09531	1.6
210.06714	6.3
211.03987	3.5
211.07539	7.3
212.04572	2.3
212.08090	1.2
213.05446	5.8
215.08701	0.6
216.07642	0.7
217.10120	1.2
218.07306	0.8
219.08099	2.9
219.11575	0.8
220.08800	6.4
221.05942	1.2
221.09506	2.1
222.06702	1.1
222.10304	1.2
223.03889	0.9
223.07440	2.7
224.04602	2.5
224.08167	1.4
224.12018	0.7
225.05502	5.8
225.09091	7.0
226.06239	5.2
227.03333	0.8
227.06906	1.9
228.07458	0.7
229.04871	0.8
231.07948	1.7
232.08742	1.3
233.06003	0.8
233.09613	2.3
234.06697	1.1
234.10234	1.0
235.07581	2.5
235.11151	7.1
236.04652	0.9
236.08342	0.8
236.11653	0.7
237.05362	2.4
237.09044	3.6
237.12689	0.9
238.06210	3.1
239.03362	1.0
239.07019	6.7
239.10605	0.8
240.04111	4.0
240.07787	3.5
241.04955	12.4
241.08534	2.2
242.05682	2.9
243.06393	0.7
245.09438	1.1
247.07581	2.7
247.11143	0.7
248.08333	8.4
249.05353	1.1
249.09084	6.4
250.06346	0.9
250.09756	2.8
251.03458	3.7
251.06975	2.8
251.10522	1.9
252.04189	1.2
252.07671	2.5
252.11479	1.3
253.04956	4.3
253.08556	6.8
254.05685	5.3
254.08385	0.8
255.06516	17.3
255.10190	2.5
256.07291	22.5
257.04529	0.6
257.07730	2.0
260.08286	0.8
261.05423	0.7
261.09045	1.0
262.09821	2.0
263.07120	3.8
263.10635	14.8
264.07706	2.4
264.11084	2.7
265.04956	2.0
265.08554	8.8
265.12125	1.7
266.05609	1.5
266.09167	2.1
267.06461	2.2
267.10034	3.1
267.13699	1.8
268.03674	2.1
268.07266	4.9
269.04425	9.1
269.08032	8.1
270.05099	2.1
270.08475	1.2
271.05960	0.9
275.06921	1.6
276.07831	3.1
277.08594	4.9
278.06046	1.1
278.09329	5.2
279.06458	1.8
279.10095	5.1
280.07617	0.9
280.10867	5.5
281.04425	2.3
281.08057	2.7
281.11078	0.7
282.05188	1.7
282.08685	1.1
283.05988	25.9
283.09561	6.3
284.06796	9.4
284.09839	1.2
285.04385	0.9
285.07483	3.0
289.08536	0.9
290.09357	1.8
291.06512	2.9
291.10123	9.0
292.07208	2.0
292.10873	2.3
293.08051	5.0
293.11697	12.4
294.08914	1.1
294.12354	3.2
295.06027	3.6
295.09656	4.4
295.13266	11.9
296.06735	5.3
296.10052	1.0
296.13455	1.0
297.04102	1.1
297.07532	10.5
298.04510	1.6
298.08078	1.8
299.05405	2.4
299.08804	1.2
300.06317	7.7
301.06744	0.8
305.08060	1.6
305.11478	0.6
306.08878	4.5
307.09650	8.6
307.12982	0.8
308.07007	1.0
308.10339	3.3
309.07968	2.5
309.11041	1.1
310.08310	6.6
310.11957	3.1
311.05554	1.3
311.09109	10.5
311.12567	0.5
312.06107	1.4
313.07080	8.5
313.10571	1.0
314.07822	95.9
315.08325	10.1
320.10196	0.8
321.11215	30.2
322.11844	10.5
323.09079	7.1
323.12775	11.9
324.09613	1.2
324.13211	1.4
325.06885	0.8
325.10736	1.1
325.14297	16.1
326.07642	3.1
326.14713	1.9
327.08615	12.9
328.09338	2.9
335.12695	0.9
336.13577	0.8
337.10608	2.2
338.11322	5.8
339.08328	0.9
339.12103	0.9
340.09366	2.3
341.10187	23.4
342.10458	2.0
351.12393	0.7
352.13068	5.0
353.13821	100.0
354.10803	1.1
354.14316	8.5
355.11676	1.3
355.15540	1.6
368.12524	1.6
383.14905	75.4
383.33023	1.1
384.15228	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.9
55.05504	1.9
57.07087	1.8
63.22985	1.3
67.05512	5.2
69.03426	1.9
69.07065	3.6
69.14106	2.7
69.14514	8.8
79.05508	2.9
81.07063	6.5
83.04996	2.1
83.08639	1.5
85.97540	1.5
91.05493	4.0
93.07043	3.1
93.86995	1.2
95.04932	1.8
95.08627	6.0
105.07050	4.7
107.08586	2.7
109.06550	1.6
109.10177	3.4
117.07025	1.5
119.08621	6.5
121.10165	1.9
123.11732	1.8
126.20516	1.6
131.08539	1.9
133.06573	2.1
133.10149	2.3
135.11754	2.2
143.08548	1.6
145.10150	3.2
147.11728	1.6
153.07077	3.2
155.04964	1.7
155.08713	2.5
157.10181	2.6
159.11749	2.5
165.05557	3.2
165.07028	3.4
169.06551	1.8
171.11630	1.7
179.08559	3.1
182.07310	2.4
183.04488	2.4
183.08096	3.0
185.06039	2.7
193.06586	3.2
193.08611	2.6
195.08044	2.1
195.11716	1.9
196.05228	1.4
197.06032	6.3
197.09821	2.2
197.13377	1.4
198.06801	6.5
203.10809	1.7
205.06520	1.9
207.08237	1.9
207.11780	2.3
209.06010	2.2
209.09685	1.8
210.06821	6.2
211.04068	2.2
211.07613	6.0
212.04747	2.6
213.05533	5.3
214.40146	1.3
219.08070	2.7
220.08882	4.6
221.09607	2.9
223.07654	3.4
224.04692	2.7
224.08347	1.6
225.05559	6.5
225.09175	5.4
226.06274	5.3
227.07025	2.3
231.08136	3.4
235.07617	2.0
235.11240	6.1
236.08286	1.9
237.09206	2.8
238.06357	2.4
239.07112	5.9
240.04199	4.7
240.07805	3.1
241.04964	13.5
241.08527	3.5
242.05757	3.2
247.07611	3.5
248.08260	7.4
249.09193	6.1
250.06224	2.4
250.09891	2.2
251.03415	3.5
251.07166	4.2
252.07800	2.8
253.05144	4.4
253.08504	7.6
254.05867	5.3
255.06587	17.1
255.09375	2.2
255.10193	2.1
256.07297	21.6
257.07721	2.2
261.09235	1.8
262.09949	1.9
263.07202	6.9
263.10754	12.8
264.07874	3.5
264.11261	2.1
265.05099	4.5
265.08606	7.0
266.05725	2.8
266.09311	2.2
267.03415	2.3
267.06461	3.5
267.10083	2.5
268.03833	3.2
268.07401	4.2
269.04526	8.8
269.08170	6.5
270.05176	1.5
275.07111	1.9
276.07767	2.5
277.08679	5.4
278.09427	6.0
279.06650	3.9
279.10196	5.7
280.07300	2.4
280.11035	3.9
281.04468	5.0
281.08170	3.8
282.05170	2.5
282.08429	1.8
283.06116	24.6
283.09662	4.7
284.06696	7.0
285.07318	1.8
291.06955	2.6
291.10275	6.7
293.04736	1.5
293.08234	5.0
293.11798	12.0
294.12363	3.7
295.06213	4.5
295.09766	4.2
295.13095	11.5
296.06808	4.7
296.09982	1.9
297.07413	9.7
298.04990	2.3
298.08072	1.8
299.05643	3.7
299.09091	1.9
300.06393	7.5
305.08154	3.1
306.08902	6.1
307.06415	1.7
307.09674	6.8
308.10422	3.5
309.07675	5.6
309.10956	1.5
310.05182	1.8
310.08371	7.0
311.05777	3.0
311.09229	11.0
312.06400	4.7
312.09747	2.1
313.07065	7.7
314.07825	91.1
315.08505	10.9
321.11179	30.8
322.08401	2.8
322.11725	9.6
323.09210	11.3
323.12903	12.3
324.09641	2.5
325.07306	4.0
325.10794	2.3
325.14246	14.9
326.07870	4.2
327.08588	11.5
327.21097	1.9
328.09317	3.3
329.32465	1.6
337.10696	2.8
338.11465	6.8
340.09604	2.7
341.10184	26.7
351.08499	2.5
351.12393	3.4
352.13046	5.6
353.10147	3.9
353.13840	100.0
354.14270	6.2
355.11615	3.2
383.11304	6.1
383.15036	75.6
383.27570	9.1
384.15332	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85524	1.4
61.16637	1.3
66.05647	1.3
69.07071	2.0
69.18211	3.7
69.18619	7.5
99.35719	1.6
109.61282	1.3
116.45213	1.5
121.24271	1.6
133.75214	1.5
157.06606	1.4
165.05530	2.4
165.06937	1.7
167.08557	1.6
169.06470	2.1
179.08586	2.3
181.06516	3.0
183.04376	2.2
183.08032	2.0
191.08592	1.9
193.06496	1.9
197.05986	4.6
197.09616	2.5
198.06831	8.3
203.08604	2.4
207.08084	2.5
209.09650	2.5
210.06818	6.8
211.03957	1.8
211.07565	6.0
213.05515	4.6
220.08875	4.2
221.09668	1.8
225.05450	4.9
225.09134	8.0
226.06209	7.9
227.06886	2.4
231.07947	2.2
235.07645	2.5
235.11104	9.0
237.05534	2.8
237.09003	3.0
238.06314	2.0
239.06987	7.3
240.04346	2.4
240.07709	3.6
241.04965	11.0
242.05740	2.2
245.09544	1.6
248.08282	8.7
249.09166	6.2
250.06836	1.5
250.09753	1.6
251.03487	3.5
252.07787	2.1
253.04916	3.7
253.08595	5.5
254.05634	3.4
255.06541	16.1
255.08997	1.6
255.10156	2.2
256.07275	16.2
257.08063	1.8
262.09836	1.6
263.07043	3.1
263.10693	14.3
264.11407	2.0
265.05582	1.3
265.08636	6.6
266.05637	2.3
267.06671	1.7
267.10083	2.8
267.13632	1.5
268.07404	3.9
269.04507	7.6
269.08133	6.1
270.05270	2.0
276.07822	2.0
277.08563	3.9
278.09357	5.2
279.10162	4.1
280.08023	1.8
280.11020	6.3
281.04645	2.4
281.08063	1.5
282.05493	1.6
283.06046	23.2
283.09671	8.1
284.06747	6.7
285.07370	1.6
291.07022	2.5
291.10214	9.6
293.08307	2.8
293.11746	10.3
294.08591	1.4
294.12543	2.7
295.06198	2.6
295.09656	4.0
295.13318	12.2
296.06738	5.0
297.07635	9.4
299.05475	2.2
300.06143	6.8
306.08688	3.6
307.09726	7.4
307.12872	1.6
308.10403	3.4
310.08301	5.7
310.11795	3.1
311.09146	10.3
311.12381	1.9
313.07080	8.8
314.07831	92.4
315.08429	11.7
321.11209	36.0
321.14780	2.9
322.11835	8.6
323.09067	6.5
323.12820	13.1
324.13141	1.8
325.14267	12.6
326.07935	1.7
327.08652	12.3
328.09286	2.6
338.11523	6.1
341.10205	20.3
352.13086	5.3
353.13837	100.0
354.14316	8.1
383.14886	75.6
384.15091	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1487
Annotation	Artocarpetin B
Peak:m/z	Relative Intensity
55.01865	0.4
59.05007	0.8
64.35302	0.3
67.05515	0.4
71.32140	0.4
73.18250	0.3
74.32615	0.4
74.96819	0.3
91.05479	0.5
93.07020	0.4
105.07045	0.4
107.08541	0.4
148.13837	0.4
165.07027	0.4
175.35371	0.3
178.07782	0.6
179.08566	1.0
180.09132	0.4
187.14952	0.4
189.07051	1.0
190.07761	0.8
191.08543	0.7
193.08490	0.3
193.10188	0.6
194.07393	0.4
194.10880	0.6
195.08060	0.7
196.08682	0.4
202.07796	0.6
203.08592	0.9
203.10561	0.5
205.06424	0.5
205.10155	1.6
206.07329	0.6
207.08002	2.7
207.11739	0.4
208.08748	1.2
209.09613	1.3
211.07626	0.6
217.10202	0.6
218.07265	2.1
219.08049	4.2
220.08719	1.7
221.06026	0.5
221.09631	2.1
222.06940	0.7
222.10344	2.9
223.07562	1.2
223.11115	1.0
224.08347	1.9
225.05475	0.5
226.09932	0.4
230.09380	1.2
231.08022	1.0
232.08754	2.3
233.05966	0.6
233.09575	5.4
234.06720	1.3
234.10313	1.2
235.07521	12.8
235.11186	1.4
236.08189	1.9
237.05516	0.7
237.09140	3.1
237.12717	1.0
238.06163	0.5
238.09845	0.4
239.07045	0.9
239.10670	1.7
241.05017	0.4
245.09647	0.6
246.06711	0.9
247.07550	4.9
247.11215	1.2
248.08278	3.8
249.05341	0.7
249.06419	0.4
249.09096	7.8
250.06161	0.7
250.07039	0.7
250.09874	11.4
251.06993	1.5
251.10585	2.9
252.07858	1.1
252.11359	0.5
253.08586	0.8
253.12242	0.4
254.09401	0.9
255.06432	0.5
259.07568	0.6
260.08435	1.8
261.06192	0.5
261.09088	5.7
262.06268	4.8
262.09775	2.0
263.07037	10.7
263.10651	6.2
264.07776	4.3
264.11295	1.5
265.05002	0.8
265.08633	6.8
265.12247	14.8
266.05997	0.5
266.09256	1.9
266.12595	1.4
267.10126	3.8
271.06021	0.4
275.07071	2.4
275.10461	0.9
276.07755	1.9
277.08594	12.2
277.11749	0.7
278.06003	0.8
278.09335	11.2
279.06586	1.7
279.10074	11.1
280.07294	2.2
280.10867	4.3
281.04645	0.4
281.08005	1.6
281.11261	1.7
282.08881	1.3
282.12308	0.6
288.08020	0.5
289.08585	3.5
290.05685	1.0
290.09293	2.5
291.06531	6.3
291.10150	5.0
292.07227	1.6
292.10895	3.7
293.04694	0.6
293.08084	7.7
293.11710	20.6
294.08774	2.4
294.12350	3.9
295.06046	2.2
295.09662	7.4
295.13187	2.3
296.06815	0.8
296.10126	0.9
297.11169	0.6
298.08353	0.7
299.05270	0.5
303.06531	1.5
303.09824	0.4
304.07129	1.0
305.08075	15.3
305.11523	1.0
306.05316	0.5
306.08707	5.9
307.06039	1.7
307.09564	11.5
308.06787	1.2
308.10269	6.2
309.07498	3.0
309.11218	3.9
310.08344	3.5
310.11987	3.1
311.05652	0.4
311.09174	0.8
311.12488	0.7
312.06168	0.4
313.07135	0.6
313.10583	0.4
318.08749	0.7
319.09653	5.4
320.10278	3.3
321.07535	5.8
321.11215	12.7
322.08163	2.2
322.11908	3.7
323.05548	0.6
323.09088	6.3
323.12802	10.0
323.84897	0.4
324.09778	1.8
324.13153	0.7
325.07098	0.9
325.10663	4.3
325.14386	2.9
326.11273	0.5
329.10110	0.7
333.11179	2.4
334.12018	4.1
335.08945	1.0
335.12531	1.0
336.09930	8.1
337.07141	1.0
337.10663	14.8
338.07751	2.7
338.11346	4.8
339.08578	0.8
339.12216	4.2
340.12784	0.7
341.10168	2.3
341.13760	0.5
342.10828	0.6
351.12238	33.0
352.12997	39.7
353.10052	13.6
353.13812	33.9
354.10410	1.9
354.14441	2.9
367.11734	7.6
368.12515	22.4
369.13095	1.6
383.14868	100.0
384.15219	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.3
67.05498	4.9
69.03384	1.1
69.07069	3.6
69.11369	7.6
69.11775	2.7
72.90310	1.0
79.05477	1.4
81.07056	4.3
83.04982	1.6
91.05441	2.9
93.07062	4.2
95.05045	1.1
95.08617	9.4
105.07039	4.9
107.08598	4.6
109.10168	5.0
110.67921	1.2
117.06979	1.3
119.08595	4.6
121.10164	3.4
123.08094	2.5
130.49934	1.2
131.08540	2.7
133.10141	5.0
134.10519	1.2
135.11707	1.9
143.08546	1.6
145.06535	1.4
145.10170	5.3
147.11711	2.7
157.10152	3.5
158.10641	1.4
159.08043	4.5
159.11711	3.8
160.08841	1.1
161.09628	1.4
161.13251	1.5
166.58490	1.1
168.05750	2.1
169.10146	1.4
171.11749	2.0
173.13284	3.2
179.08565	1.4
185.13235	2.4
187.14856	1.7
188.08345	10.8
189.08693	1.4
189.16396	1.2
191.08542	1.3
197.06027	2.0
203.08775	2.5
203.10680	32.2
207.08069	2.8
209.09683	1.3
211.03961	1.8
218.07227	2.3
219.08087	3.5
220.08690	1.4
221.09618	2.0
223.07539	3.3
224.08328	1.2
225.05450	1.5
226.06194	2.1
227.06911	2.0
231.08089	1.9
231.10129	2.7
233.09648	3.4
234.06673	2.5
235.07655	7.6
236.08298	2.0
237.05394	1.3
237.09142	2.7
238.06339	1.3
239.03461	4.1
239.07095	1.8
239.10611	1.6
242.01978	1.7
243.21141	4.2
247.07622	4.4
247.11147	1.4
248.08321	4.1
249.05402	1.4
249.09201	5.7
250.06230	2.3
250.09933	6.2
251.07076	4.3
251.10606	3.0
252.07855	2.8
253.08519	2.1
254.05753	23.4
255.06462	4.7
257.04419	17.0
258.04926	1.6
260.08380	2.7
261.06549	1.3
261.09033	8.3
262.06155	1.3
263.07034	13.7
263.10651	2.7
264.07767	7.6
265.04892	1.4
265.08618	8.2
265.12399	3.8
266.09198	1.5
267.06580	2.6
267.10196	3.5
268.07498	2.3
269.04514	1.4
269.08093	1.5
271.06155	2.0
275.07214	2.2
276.07822	4.9
277.08551	9.3
278.06110	2.5
278.09412	13.5
278.13025	3.6
279.06531	6.0
279.10172	9.9
280.07266	5.7
280.10690	2.0
281.08078	3.7
281.11682	3.6
282.05295	11.1
282.08389	1.7
283.06018	6.2
283.09518	2.0
284.03445	1.7
284.06668	1.9
285.03958	5.2
285.07285	2.3
289.08643	2.8
290.05753	2.0
290.09338	2.0
291.06525	5.3
291.10208	6.6
292.07263	6.0
292.10889	3.3
293.08090	9.0
293.11703	13.8
294.05759	1.2
294.08884	5.8
294.12515	7.0
295.06046	3.6
295.09680	7.6
295.12848	1.9
296.06815	2.6
298.08429	3.1
299.05524	6.0
299.08972	2.4
300.06232	13.4
301.06744	1.6
303.10159	2.9
304.07303	4.3
305.08105	10.1
306.05551	1.8
306.08875	9.8
306.12177	1.5
307.06094	5.4
307.09686	10.9
308.06763	5.0
308.10242	3.5
309.07507	4.7
309.11194	8.0
310.08447	2.4
310.11914	3.5
311.09198	4.5
312.06418	1.7
313.06946	1.7
313.10541	1.9
315.08640	36.8
316.09033	2.2
319.09735	9.0
320.06717	2.2
320.10117	7.3
321.07596	12.5
321.11258	17.3
322.08380	20.7
322.11917	4.1
323.05640	1.4
323.09155	16.0
323.12906	5.4
324.09760	1.9
324.13419	2.4
325.07306	1.9
325.10751	7.0
325.14398	6.5
326.07828	2.5
326.11316	1.6
335.09183	4.4
336.09888	19.8
337.10690	32.4
338.08026	6.3
338.11069	5.9
339.08630	5.1
340.09174	1.5
341.10190	10.1
351.12283	51.5
352.13028	85.4
353.10135	16.6
353.13815	19.7
354.10803	3.1
368.12558	22.0
369.13089	1.7
383.11389	4.9
383.14935	100.0
383.29337	6.0
384.10913	1.5
384.15390	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1487
Annotation	Artocarpetin B
Peak:m/z	Relative Intensity
60.48399	0.4
62.75443	0.3
64.44408	0.4
98.23317	0.8
141.06979	0.5
141.81219	0.4
145.06487	1.4
152.80609	0.4
157.06526	0.5
159.08080	2.4
160.08833	0.4
165.05469	0.9
167.06985	1.0
179.08566	1.0
181.06471	0.6
183.08031	0.5
185.05962	0.9
188.08325	4.6
189.07010	0.5
190.07791	1.0
192.09338	0.5
193.06636	0.5
193.10208	0.6
195.08080	0.7
203.08746	0.9
203.10655	15.3
204.09308	0.6
204.11047	1.0
205.10123	0.6
207.07976	2.0
208.08774	0.9
209.09573	0.7
210.06667	0.6
211.07536	0.8
213.05476	1.4
218.07376	0.9
219.08006	2.1
220.08821	1.4
221.05981	0.6
221.09592	1.2
222.10333	1.2
223.07581	1.2
224.08379	0.6
225.05681	0.5
225.09056	0.6
228.04144	1.6
230.09503	0.6
231.08051	1.0
231.10216	1.2
232.08826	1.9
233.09583	3.2
234.06853	0.8
234.10353	0.5
235.07549	7.1
235.11113	0.7
236.08220	1.4
237.09009	1.4
237.12836	0.7
238.06192	0.6
239.06943	0.7
239.10715	0.7
240.07703	0.6
241.04878	2.1
246.06734	0.5
247.07506	3.3
247.11121	0.6
248.08313	2.0
249.05490	1.1
249.09093	4.7
250.06203	1.0
250.09923	5.4
251.07042	1.8
251.10371	2.0
252.04123	0.5
252.07806	1.0
252.11073	0.6
253.05098	0.9
253.08609	1.5
254.05742	1.1
254.09383	0.8
255.06490	1.1
256.03708	1.0
257.04297	0.5
260.08347	1.2
261.09073	5.0
262.06357	1.4
262.09814	3.1
263.07053	12.6
263.10510	2.1
264.07773	3.8
264.10843	0.6
265.05264	0.4
265.08749	3.7
265.12131	5.1
266.05716	1.1
266.09360	1.0
266.12598	0.8
267.06540	1.2
267.10178	2.3
268.03464	0.5
268.07254	0.7
269.04440	1.2
269.07983	1.0
270.05078	0.6
271.05957	2.1
275.07059	1.6
275.10587	0.5
276.07748	3.1
277.08582	8.3
277.11600	0.5
278.05969	1.4
278.09357	25.2
279.06488	2.2
279.10025	6.9
280.07178	1.2
280.10651	1.8
281.04608	1.3
281.08124	1.9
281.11295	0.5
282.05173	1.3
282.08704	0.8
283.05890	1.5
283.09576	0.6
284.03244	2.2
284.06351	0.5
285.07309	0.5
288.07706	0.6
289.05399	0.5
289.08578	1.8
290.09311	1.4
291.06558	2.9
291.10190	4.3
292.07251	1.6
292.10889	2.4
293.04605	0.8
293.08075	7.0
293.11728	22.0
294.05386	0.7
294.08636	2.0
294.12192	2.9
295.06000	1.7
295.09543	4.2
295.12582	0.9
296.06680	0.9
297.03937	1.4
297.07388	0.8
298.04565	0.5
299.05478	9.2
300.06149	1.3
303.06464	0.9
303.09805	0.7
304.07205	1.5
305.08087	5.9
305.11301	0.9
306.05450	0.9
306.08865	3.7
307.05975	2.3
307.09583	7.4
308.06744	1.7
308.10361	5.5
309.04068	0.8
309.07523	2.6
309.11130	2.5
310.08203	1.5
310.11765	2.0
311.09094	1.6
311.12604	0.8
312.06195	1.5
312.09650	0.6
313.07083	1.9
313.10541	0.9
315.08441	1.2
319.09604	5.8
320.06815	0.6
320.10226	4.0
321.07544	10.6
321.11212	21.0
322.08408	3.5
322.11115	3.1
323.08920	4.6
323.12753	7.7
324.06189	0.5
324.09735	0.9
324.13248	0.8
325.07001	0.8
325.10678	4.1
325.14200	2.6
326.11093	0.6
333.11292	0.5
335.09232	2.3
335.12677	0.6
336.09924	12.2
337.10638	13.5
338.07846	0.7
338.11111	2.9
339.08591	2.1
339.12335	3.1
340.09131	0.9
341.10147	1.8
351.12268	45.1
352.12851	13.5
352.17346	0.6
353.09995	3.7
353.13568	13.7
354.10428	0.7
354.14133	1.2
355.15509	1.2
367.11874	3.3
368.12424	5.4
383.14883	100.0
384.15320	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.3
67.05526	2.2
70.34160	6.4
79.05476	5.4
81.07055	3.5
87.61948	1.9
88.05684	2.3
91.05489	3.4
92.54227	1.8
94.04163	3.0
103.05466	8.7
105.06371	3.2
105.07033	33.8
107.05019	2.2
107.08584	1.9
109.06494	4.1
115.05459	8.0
122.03667	12.2
128.06149	4.4
131.04926	5.0
133.06497	23.3
137.05980	99.2
141.06982	2.0
143.06071	2.3
145.06561	3.0
146.03642	4.1
147.04373	3.7
161.05978	100.0
162.06500	5.9
171.45860	2.1
183.12068	2.0
184.05267	3.9
187.07391	2.4
190.07709	2.9
191.08543	3.8
199.07549	27.5
202.07750	19.3
203.08572	30.3
204.09102	4.2
205.06534	3.7
215.08562	2.4
217.02373	2.0
219.08063	11.3
220.08774	7.9
231.08069	43.6
232.08775	16.2
233.05756	2.4
235.11057	3.4
247.07504	7.4
248.08331	22.4
249.09007	5.4
258.06885	3.1
259.07562	34.9
260.08252	13.5
261.09113	3.7
262.09778	3.2
263.06940	2.4
263.08099	2.3
263.10712	17.4
265.08600	3.9
275.07077	5.7
276.07813	11.2
277.08655	10.7
279.74127	1.9
291.10175	62.8
292.10822	11.7
295.09677	2.2
295.13202	2.3
305.90521	2.2
311.61444	2.1
323.12701	14.2
349.80154	2.0
351.12262	31.4
352.12616	3.4
383.14978	5.8
384.30627	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48399	0.4
62.75443	0.3
64.44408	0.4
98.23317	0.8
141.06979	0.5
141.81219	0.4
145.06487	1.4
152.80609	0.4
157.06526	0.5
159.08080	2.4
160.08833	0.4
165.05469	0.9
167.06985	1.0
179.08566	1.0
181.06471	0.6
183.08031	0.5
185.05962	0.9
188.08325	4.6
189.07010	0.5
190.07791	1.0
192.09338	0.5
193.06636	0.5
193.10208	0.6
195.08080	0.7
203.08746	0.9
203.10655	15.3
204.09308	0.6
204.11047	1.0
205.10123	0.6
207.07976	2.0
208.08774	0.9
209.09573	0.7
210.06667	0.6
211.07536	0.8
213.05476	1.4
218.07376	0.9
219.08006	2.1
220.08821	1.4
221.05981	0.6
221.09592	1.2
222.10333	1.2
223.07581	1.2
224.08379	0.6
225.05681	0.5
225.09056	0.6
228.04144	1.6
230.09503	0.6
231.08051	1.0
231.10216	1.2
232.08826	1.9
233.09583	3.2
234.06853	0.8
234.10353	0.5
235.07549	7.1
235.11113	0.7
236.08220	1.4
237.09009	1.4
237.12836	0.7
238.06192	0.6
239.06943	0.7
239.10715	0.7
240.07703	0.6
241.04878	2.1
246.06734	0.5
247.07506	3.3
247.11121	0.6
248.08313	2.0
249.05490	1.1
249.09093	4.7
250.06203	1.0
250.09923	5.4
251.07042	1.8
251.10371	2.0
252.04123	0.5
252.07806	1.0
252.11073	0.6
253.05098	0.9
253.08609	1.5
254.05742	1.1
254.09383	0.8
255.06490	1.1
256.03708	1.0
257.04297	0.5
260.08347	1.2
261.09073	5.0
262.06357	1.4
262.09814	3.1
263.07053	12.6
263.10510	2.1
264.07773	3.8
264.10843	0.6
265.05264	0.4
265.08749	3.7
265.12131	5.1
266.05716	1.1
266.09360	1.0
266.12598	0.8
267.06540	1.2
267.10178	2.3
268.03464	0.5
268.07254	0.7
269.04440	1.2
269.07983	1.0
270.05078	0.6
271.05957	2.1
275.07059	1.6
275.10587	0.5
276.07748	3.1
277.08582	8.3
277.11600	0.5
278.05969	1.4
278.09357	25.2
279.06488	2.2
279.10025	6.9
280.07178	1.2
280.10651	1.8
281.04608	1.3
281.08124	1.9
281.11295	0.5
282.05173	1.3
282.08704	0.8
283.05890	1.5
283.09576	0.6
284.03244	2.2
284.06351	0.5
285.07309	0.5
288.07706	0.6
289.05399	0.5
289.08578	1.8
290.09311	1.4
291.06558	2.9
291.10190	4.3
292.07251	1.6
292.10889	2.4
293.04605	0.8
293.08075	7.0
293.11728	22.0
294.05386	0.7
294.08636	2.0
294.12192	2.9
295.06000	1.7
295.09543	4.2
295.12582	0.9
296.06680	0.9
297.03937	1.4
297.07388	0.8
298.04565	0.5
299.05478	9.2
300.06149	1.3
303.06464	0.9
303.09805	0.7
304.07205	1.5
305.08087	5.9
305.11301	0.9
306.05450	0.9
306.08865	3.7
307.05975	2.3
307.09583	7.4
308.06744	1.7
308.10361	5.5
309.04068	0.8
309.07523	2.6
309.11130	2.5
310.08203	1.5
310.11765	2.0
311.09094	1.6
311.12604	0.8
312.06195	1.5
312.09650	0.6
313.07083	1.9
313.10541	0.9
315.08441	1.2
319.09604	5.8
320.06815	0.6
320.10226	4.0
321.07544	10.6
321.11212	21.0
322.08408	3.5
322.11115	3.1
323.08920	4.6
323.12753	7.7
324.06189	0.5
324.09735	0.9
324.13248	0.8
325.07001	0.8
325.10678	4.1
325.14200	2.6
326.11093	0.6
333.11292	0.5
335.09232	2.3
335.12677	0.6
336.09924	12.2
337.10638	13.5
338.07846	0.7
338.11111	2.9
339.08591	2.1
339.12335	3.1
340.09131	0.9
341.10147	1.8
351.12268	45.1
352.12851	13.5
352.17346	0.6
353.09995	3.7
353.13568	13.7
354.10428	0.7
354.14133	1.2
355.15509	1.2
367.11874	3.3
368.12424	5.4
383.14883	100.0
384.15320	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.3
55.05516	26.3
57.07077	10.2
64.61980	1.8
67.05501	31.4
69.03422	2.4
69.07068	53.0
71.08629	2.7
76.80721	1.7
79.05492	14.1
81.07061	35.6
82.02378	1.8
83.04971	5.2
83.08641	13.5
91.05478	19.3
93.07053	42.7
95.04927	2.7
95.08607	91.3
96.08884	1.9
97.06506	1.9
97.10168	7.3
105.07026	57.4
106.07353	1.9
107.08592	47.1
109.06519	2.5
109.10158	35.9
111.04433	3.2
111.08096	9.1
113.06036	3.0
115.03920	2.9
115.05432	1.9
117.07008	9.7
119.08578	100.0
121.06480	5.9
121.10151	50.0
123.08100	11.1
123.11703	28.6
128.06255	2.0
129.07004	5.1
130.07797	1.9
131.08578	26.1
133.10130	48.9
135.07996	2.5
135.11693	29.0
137.13260	10.8
139.07550	6.7
141.07042	2.1
141.09103	11.2
142.07829	3.1
143.08569	10.1
144.09315	6.6
145.10117	46.8
146.07300	2.0
146.93646	1.9
147.08072	3.0
147.11691	27.6
149.13257	16.2
151.14847	1.9
157.10130	13.3
158.10823	6.1
159.08099	2.5
159.10390	3.6
159.11693	67.8
159.12994	3.7
160.08817	2.2
160.12497	3.4
161.09622	14.0
161.13271	61.7
162.13693	2.7
163.11177	2.3
163.14832	8.1
165.05490	4.1
165.06898	2.0
165.56505	1.8
169.09955	2.2
170.10966	2.3
171.11649	14.3
172.12468	3.8
173.09560	2.2
173.13268	39.9
173.14627	3.3
174.13812	3.0
175.11208	4.2
175.14847	16.9
177.16423	21.0
179.10680	6.7
183.11685	3.1
185.09581	2.1
185.13190	11.8
186.13826	2.7
187.07596	2.2
187.11165	5.2
187.14818	41.3
188.15437	2.2
189.12758	5.0
189.16357	11.5
191.17958	2.3
193.10263	1.8
193.12198	2.2
197.13361	3.1
199.14816	9.9
200.15565	6.1
201.12772	1.8
201.16368	15.6
202.17099	1.9
203.08781	2.0
203.10669	5.4
203.17946	8.5
205.12115	3.5
205.19502	14.6
207.08017	3.2
207.13689	3.7
209.09444	2.6
213.16376	4.5
214.17191	2.4
215.17928	11.2
218.07243	3.3
219.08057	4.9
220.08752	2.8
221.09642	4.0
222.10429	6.4
225.16460	2.6
227.17903	7.6
229.19514	4.6
229.54431	1.8
230.09410	17.4
232.08794	4.4
233.09587	11.5
234.06790	2.0
234.10095	2.2
235.07550	14.2
235.11212	2.6
236.08261	2.8
237.12849	2.3
241.19586	7.0
242.20113	4.4
243.21077	87.0
244.21538	4.3
245.22566	2.6
247.07471	4.2
247.17058	2.4
248.08281	6.9
249.09000	11.4
250.09836	12.0
251.10530	4.1
252.07742	3.1
253.19597	2.4
255.21144	2.0
260.08374	5.6
261.09082	14.5
262.06235	4.0
262.09827	6.3
263.06973	19.7
263.10654	6.8
264.07837	10.3
265.08545	6.2
265.12231	5.3
267.10101	7.6
275.07172	3.6
275.10611	2.0
276.07883	12.8
277.08563	28.8
278.09381	36.6
279.10049	15.8
280.07315	2.7
281.22601	2.1
283.24265	3.0
284.24948	6.1
289.08698	5.9
290.09351	4.9
291.06534	5.2
291.10153	27.5
292.07480	2.3
292.10895	6.9
293.08060	6.0
293.11700	33.4
294.09122	1.9
294.12320	4.8
295.09637	4.7
299.20102	5.5
301.21631	17.2
305.08032	27.3
306.08795	9.2
307.09705	18.5
308.06839	2.8
308.10464	5.8
309.11133	2.2
310.11880	3.0
313.21771	5.2
315.08795	2.7
315.23190	2.4
319.09637	25.2
320.10446	8.7
321.07574	10.1
321.11124	48.6
322.08362	4.8
322.11899	7.6
323.09012	4.6
323.12729	6.4
325.14355	9.1
327.23019	10.9
336.09900	19.1
337.10651	23.5
338.11386	6.5
341.24670	2.8
351.12247	43.6
352.13016	44.1
353.10056	3.2
353.13803	23.5
365.28195	2.8
368.12506	4.3
382.28308	2.7
383.14911	86.6
383.29410	89.1
384.15247	7.7
384.29764	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.0
55.56708	0.6
59.04987	0.8
63.87076	0.6
67.05492	2.7
67.73214	0.6
69.07059	2.3
69.60104	1.4
69.60513	2.1
71.32864	0.7
72.43482	0.6
78.78970	0.6
79.05473	1.0
81.07069	3.4
85.02910	1.1
91.05474	2.5
93.07034	2.7
95.04971	1.0
95.08624	3.3
98.23317	1.2
99.30763	0.6
99.61344	0.6
105.07039	2.8
107.08605	3.1
109.10155	2.6
111.08101	0.6
117.07020	0.8
119.08555	2.4
121.10150	2.3
123.11720	0.7
131.08585	1.0
133.10098	2.2
133.13629	0.7
135.11696	0.7
137.06029	0.7
143.08498	1.2
145.08556	0.6
145.10143	2.6
147.11684	1.4
155.08556	0.8
157.10112	1.3
159.08076	0.6
159.11685	1.5
161.13268	0.7
169.10223	0.7
171.11765	0.6
173.13330	0.7
179.08575	0.7
185.13255	0.9
187.14868	0.9
189.07048	1.2
190.07806	1.2
191.07056	0.7
191.08585	1.0
192.09296	0.9
193.10129	0.8
194.80594	0.7
195.08128	0.9
202.07765	1.2
203.08565	1.0
205.06432	1.3
205.10074	1.0
207.08009	2.3
209.09604	0.8
209.13258	0.7
218.07278	3.8
219.08081	5.4
220.08685	1.4
221.06032	2.1
221.09612	2.9
222.10443	2.2
223.07538	1.3
224.08322	0.8
227.18080	0.8
231.08012	1.3
232.08817	2.1
233.05920	1.6
233.09592	5.4
234.06726	1.9
234.10388	1.9
235.07533	8.3
235.10941	0.8
236.08188	1.7
237.09024	1.4
239.06975	0.7
244.08781	0.8
245.09558	0.7
246.06879	1.4
247.07562	6.8
248.08344	2.5
249.05382	1.2
249.09103	5.4
250.06145	1.5
250.09839	5.3
251.07007	1.0
251.10411	1.3
253.08562	0.9
255.06607	0.9
260.08124	0.9
261.06183	0.8
261.09116	6.3
262.06091	1.5
262.09882	5.9
263.07062	8.9
263.10629	3.1
264.07761	3.0
265.05328	0.6
265.08585	2.7
265.12091	1.6
266.05661	0.7
266.09006	0.7
267.06711	0.7
267.09958	1.4
269.08060	0.7
275.07043	2.7
276.07755	3.0
277.08563	9.9
278.09363	19.5
279.06750	1.3
279.10007	3.9
280.07144	1.2
280.10760	1.4
281.08157	1.6
289.08585	3.3
290.05893	1.5
290.09357	4.3
291.06570	2.5
291.10144	4.7
292.07361	1.3
292.10812	3.8
293.08075	5.0
293.11716	11.9
294.08908	1.0
294.12109	1.5
303.10101	0.8
304.07376	1.0
305.08044	12.4
305.11325	1.3
306.08768	4.5
307.09531	2.8
308.10303	2.7
309.07513	1.2
309.11017	1.0
310.07993	0.9
314.07910	1.4
319.09650	4.0
320.06662	1.1
320.10422	18.2
321.07520	3.0
321.11182	14.1
322.08218	1.9
322.11649	1.5
323.09198	1.3
323.12753	3.3
326.07477	0.9
335.08691	0.7
336.09958	4.1
337.10593	1.7
341.10214	2.4
351.12256	100.0
352.12839	17.7
353.13779	4.8
368.12509	1.4
369.09604	4.2
383.14938	10.4
383.25357	1.2
383.29980	3.2
384.11682	1.5
384.15997	0.9
403.26410	0.7
407.20911	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.149
Annotation	5,4'-Dimethoxy-3'-prenylbiochanin A
Peak:m/z	Relative Intensity
56.10275	1.0
63.31861	1.0
69.97869	4.4
73.94468	1.1
83.08500	0.9
98.23292	1.3
105.07030	1.7
131.39330	1.0
165.06990	1.5
183.04466	1.3
190.07788	1.8
191.08504	1.5
195.08051	1.7
197.05992	1.3
197.09894	1.1
198.06775	1.8
201.08971	1.0
202.07782	2.0
203.08563	2.0
205.06581	1.7
205.10220	2.1
207.08080	2.5
209.09627	1.6
210.06741	1.1
211.07599	2.0
216.34842	1.2
217.10036	1.4
218.07361	2.4
219.08034	5.0
220.08806	2.0
221.09575	2.1
222.06755	1.3
222.10294	1.2
223.07588	1.5
223.11250	1.2
225.05566	1.6
225.09309	1.1
226.06229	1.9
231.08104	2.2
232.08792	2.2
233.05977	1.2
233.09558	7.1
234.10313	2.3
235.07498	5.3
235.11102	2.7
236.08369	1.7
237.05550	1.1
237.09148	2.4
239.07097	2.3
241.04974	3.0
245.05943	1.0
245.09634	2.1
247.07466	5.7
248.08360	3.1
249.09081	5.4
250.06235	1.6
250.09955	2.8
251.07147	2.3
251.10448	1.9
252.07878	1.1
253.08577	1.1
255.06564	2.9
256.07275	4.9
260.08389	1.4
261.05762	1.7
261.09113	5.8
262.06375	1.5
262.09845	4.1
263.07010	6.2
263.10629	7.5
264.07861	5.8
264.11249	2.1
265.05927	1.5
265.08557	8.2
265.12277	4.6
266.05588	1.2
266.09283	1.9
267.09988	1.5
268.07159	1.5
269.04599	1.5
269.07904	1.9
273.09235	1.1
275.07034	2.5
275.10739	1.4
276.07846	3.5
277.08612	13.0
277.11902	1.6
278.05988	1.6
278.09344	8.0
279.10074	11.0
280.07623	1.8
280.10873	3.2
283.06052	5.7
283.09076	1.3
284.06790	2.2
289.08557	1.9
290.09381	4.2
291.06622	3.6
291.10132	10.2
292.07462	1.8
292.10602	4.9
293.08093	9.2
293.11707	11.4
294.08963	2.0
294.12311	2.6
295.09857	2.4
295.13425	3.5
297.07562	2.5
299.05432	1.3
300.06073	1.6
303.10031	1.2
305.08102	8.3
305.11401	1.4
306.08795	6.1
307.06299	1.4
307.09521	10.3
308.10324	8.8
309.11261	2.5
310.08307	1.5
310.11810	1.9
311.09137	3.0
313.07025	2.4
314.07819	25.3
315.08368	2.4
319.09665	3.6
320.10428	5.3
321.07581	3.2
321.11169	31.0
322.08359	8.6
322.11966	6.2
323.09055	3.4
323.12790	9.6
324.13049	1.9
325.14172	4.9
327.08676	3.5
333.11188	2.6
336.10037	8.1
337.07654	1.2
337.10690	44.5
338.11359	4.4
341.10181	6.0
351.12274	92.1
352.13013	100.0
353.13742	35.7
354.14288	3.1
383.14890	62.7
384.15189	5.6
396.85852	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.2
55.05498	0.5
57.92443	0.4
58.55063	0.4
61.01329	0.4
65.03918	0.7
67.05492	0.5
68.99769	0.5
69.03413	0.9
69.10979	4.1
71.40933	0.5
79.05469	0.5
81.07061	1.0
91.05470	0.7
95.04948	0.5
98.23330	1.0
105.03384	0.6
105.07008	0.7
106.73824	0.6
107.04932	0.7
107.08601	0.6
109.10120	0.5
111.04411	0.5
119.04944	0.7
119.08539	0.5
121.02866	13.3
121.03825	0.7
121.10186	0.5
131.04866	0.7
131.08530	0.5
133.02820	0.6
141.01776	0.8
145.02821	0.9
145.10103	0.6
147.04361	1.6
159.04446	0.8
165.01808	0.7
175.03928	0.5
179.08485	0.4
185.04196	1.0
187.03891	1.2
189.01791	0.6
203.03412	0.7
207.08078	0.6
215.03329	0.7
219.77612	0.4
221.11478	100.0
222.11801	4.8
231.02917	0.5
263.06982	0.6
267.06613	0.6
269.04468	0.9
271.06006	0.7
279.06750	0.4
283.05960	0.6
287.05560	1.4
289.03455	0.6
295.06064	1.7
299.05487	20.7
300.06000	1.3
303.17874	0.8
309.07507	1.4
311.05472	5.3
313.03589	0.7
313.06979	7.2
314.07321	0.8
321.07516	0.6
321.18741	1.0
323.05423	5.7
323.13348	0.4
324.05954	0.6
325.06918	1.1
327.08667	1.4
329.06497	1.9
337.07040	13.8
338.07401	1.5
341.06558	3.6
353.06573	0.8
355.08179	1.9
365.06558	16.2
366.06802	1.6
383.07675	24.4
383.16733	48.4
384.08093	3.1
384.16989	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	14.3
55.01866	15.1
55.05502	17.4
58.16512	3.9
65.03976	6.4
67.05492	19.1
68.99797	5.6
69.01422	47.9
69.03432	67.2
69.07062	8.8
71.05000	36.1
79.05477	18.7
81.03423	45.2
81.07062	38.2
83.04996	8.3
85.02903	41.1
87.00827	26.2
91.05473	44.9
93.07048	36.8
95.04967	16.9
95.08588	20.1
97.02908	31.5
97.06525	4.5
99.04488	7.0
99.08080	16.6
103.03937	5.2
103.05411	6.8
105.01881	8.0
105.07032	68.0
107.04943	8.1
107.08598	48.2
109.06518	19.0
109.10150	31.5
111.04455	6.8
115.03896	12.4
115.05426	8.7
117.07017	24.1
119.04957	11.7
119.08572	45.5
121.06506	19.7
121.10124	27.0
123.04396	9.8
123.08085	11.0
123.11695	14.0
127.03876	10.3
127.07559	12.6
128.06264	8.0
129.01802	6.0
129.07008	8.8
130.06578	7.2
130.07761	8.7
130.61426	4.5
130.62599	4.6
131.08586	27.7
133.06516	7.4
133.10147	22.6
135.08049	14.1
135.11676	16.5
136.31409	4.8
137.05972	12.9
137.09618	14.3
143.08578	14.5
145.06473	7.8
145.10094	37.5
146.06024	6.1
147.08043	19.9
147.11673	25.5
149.09657	8.8
149.13176	5.7
151.07576	5.5
151.11148	12.8
155.08607	8.4
155.78073	5.1
157.06567	6.2
157.10143	8.9
158.07272	6.1
159.02858	7.3
159.08015	13.4
159.11711	14.9
161.05963	8.7
161.09618	9.9
163.07599	5.3
163.11183	13.4
165.12761	21.1
171.08002	7.0
171.11684	5.3
173.09622	42.7
175.07527	12.1
175.11174	13.8
177.12732	19.3
179.14311	6.5
187.11240	6.3
189.09099	7.5
189.12712	7.8
191.10690	15.7
193.12177	9.1
201.03897	22.5
201.12711	8.5
205.12212	6.5
215.14209	6.3
225.12749	5.8
233.15363	6.5
237.14903	6.4
243.13860	26.1
261.14871	31.4
279.16022	12.0
321.16830	8.6
337.15765	6.8
347.14890	10.2
364.82220	5.5
365.15982	12.6
383.14334	100.0
384.14856	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.3
55.01871	17.9
55.05513	59.4
57.03439	22.2
57.07073	2.8
59.05006	1.5
65.03931	3.7
67.05505	65.8
68.15482	1.5
69.03432	10.1
69.07073	30.4
70.70729	3.4
71.04990	5.4
79.05495	61.2
79.75313	1.4
81.03417	19.0
81.07056	100.0
83.04984	25.1
83.08618	24.5
83.34378	1.6
85.02894	9.4
85.06549	3.7
91.05479	30.1
93.07041	49.4
94.07405	1.9
95.04965	19.4
95.08611	35.5
97.02902	2.3
97.06520	17.4
97.10171	49.1
99.04462	6.5
99.08095	3.8
103.05479	2.2
105.07033	27.5
107.04954	11.2
107.08591	37.5
108.08926	1.8
109.02930	2.7
109.06523	10.1
109.10163	22.5
111.04439	25.5
111.08082	12.6
117.07051	10.8
119.08573	30.6
121.06504	7.8
121.10139	16.8
123.04447	3.2
123.08072	43.0
123.11713	4.4
124.69318	1.7
125.05988	3.0
125.09626	39.3
125.25418	1.5
128.00751	4.1
128.02612	2.5
128.06183	1.5
129.07031	6.6
129.36186	1.5
130.02312	1.7
131.08574	14.1
133.06474	3.4
133.10110	11.9
135.08046	10.2
135.11674	13.5
137.09587	8.2
137.62587	1.6
139.11183	3.1
141.07004	1.8
142.07747	2.5
143.08566	6.1
143.10722	3.1
145.06467	2.8
145.10127	18.4
146.07166	1.6
147.08051	8.0
147.11676	13.5
149.02341	3.3
149.09608	8.7
149.13240	3.7
150.13297	1.6
151.07561	3.5
153.09113	6.9
153.12744	9.9
155.08580	3.7
157.10114	8.8
159.08093	4.0
159.11697	7.8
161.05943	1.9
161.09628	5.3
161.13301	3.5
163.11185	21.7
165.09166	10.6
165.12740	2.5
171.10202	3.8
171.11679	4.8
173.08243	3.0
173.09593	4.8
173.13307	4.1
175.11214	5.2
177.09212	1.9
177.12666	2.6
179.10733	1.8
181.12195	13.4
183.11813	1.8
185.13205	2.2
187.03957	2.2
189.11224	46.6
191.10684	9.0
193.12242	13.7
195.11729	2.3
195.13617	1.5
199.14809	2.5
203.18018	7.2
209.11571	1.7
211.13268	4.0
223.13268	4.5
227.12740	15.8
227.17886	1.9
231.06435	3.0
245.18961	3.3
248.45946	1.7
249.14874	2.5
255.17482	4.2
259.06046	2.3
263.10519	2.3
263.20093	4.1
264.15887	1.5
273.18521	19.1
274.18945	2.3
287.05359	2.0
291.19543	47.5
292.19800	4.3
302.09775	3.9
309.20706	2.1
339.06000	2.6
347.22018	2.6
355.11746	2.3
365.23264	10.4
383.11011	3.8
383.20438	1.5
383.24469	17.1
384.24329	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.4
55.01868	11.6
55.05506	19.1
57.03426	13.5
57.07062	4.9
58.86121	3.8
59.65561	4.2
61.02911	6.2
65.03932	5.9
67.05506	34.2
69.03423	33.2
69.07082	22.2
69.38607	9.3
69.39017	15.6
71.05003	23.8
73.02914	5.1
79.05491	35.5
81.03416	14.6
81.07054	100.0
83.04969	12.9
83.08626	7.8
85.02910	31.2
85.06528	5.1
88.38102	3.9
90.61616	4.0
91.05487	31.9
93.07033	48.0
95.04971	14.5
95.08605	65.3
95.89440	4.1
97.02885	18.8
97.06512	38.1
97.10160	7.5
98.23372	7.5
99.04456	4.9
99.10088	4.2
103.03934	8.3
103.05478	4.9
105.07020	65.4
105.84199	4.2
107.04971	4.7
107.08589	44.1
109.02872	7.1
109.06523	14.7
109.10152	47.4
111.04457	5.8
115.05453	6.0
117.07012	13.7
119.08583	61.2
121.02836	4.0
121.06487	13.1
121.10141	36.5
123.04394	11.5
123.08064	13.7
123.11685	30.7
127.03915	6.9
127.11208	8.5
129.07018	10.8
131.08575	25.7
133.04993	6.8
133.10130	40.9
135.08049	10.3
135.11670	31.0
137.05960	4.8
137.09615	12.6
137.13278	6.8
141.65015	3.8
142.07747	4.7
143.08545	14.8
145.06477	7.1
145.10133	29.8
147.08009	7.0
147.11694	45.1
149.02339	11.6
149.05971	5.2
149.09610	6.0
149.13222	13.3
151.07625	4.6
151.11153	11.0
153.01811	8.2
153.09105	3.9
155.08530	11.5
156.09355	7.8
157.10065	23.2
159.08064	6.9
159.11742	34.4
161.09636	8.2
161.13258	17.8
163.11131	6.8
163.14857	22.1
165.06964	5.1
169.10115	12.6
171.08073	7.8
171.11667	11.7
173.09552	7.6
173.13269	15.6
175.07602	6.3
175.11124	5.5
175.14790	12.0
177.05460	5.0
177.12769	6.6
183.11671	5.7
185.09654	5.0
185.13231	7.2
187.03966	6.8
187.14847	5.1
189.12700	4.9
189.16409	16.2
195.11684	5.3
201.09073	6.9
201.12808	6.2
201.16380	18.0
203.14238	4.5
203.17955	38.6
205.12318	5.2
209.13292	6.7
215.17993	5.2
219.10168	7.0
219.17300	5.6
221.15344	4.9
221.19009	18.3
223.11319	4.1
227.17818	5.9
229.08557	10.5
231.06511	7.5
233.18959	11.4
243.13861	4.9
245.18941	8.9
259.06049	6.7
311.28659	4.8
329.20999	13.7
347.22455	6.2
353.13766	6.5
355.11688	12.5
365.23163	15.0
383.10983	10.3
383.24451	36.0
384.23917	6.8
394.01868	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	12.5
67.05502	9.8
68.05510	5.7
68.42461	5.9
69.07072	8.8
71.29065	11.2
79.05489	8.5
81.07059	25.5
85.02905	18.3
91.05461	15.5
93.07033	21.6
95.08596	36.9
97.06542	14.6
103.39057	6.7
105.07030	57.3
106.51275	7.3
107.08585	17.2
109.10159	26.3
119.08582	39.5
119.47755	6.9
121.10157	6.7
133.10149	38.1
137.05933	14.5
145.10143	12.9
147.11694	90.6
159.11620	7.7
161.13260	19.1
201.16531	8.2
203.17963	100.0
316.43085	6.8
352.37631	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	13.0
55.01861	12.7
55.05510	19.6
57.03431	9.9
61.02930	6.5
65.03931	6.8
67.05506	36.1
67.89037	4.1
69.03432	35.5
69.07072	30.0
70.14324	17.4
71.01327	5.2
71.04996	50.6
73.02905	12.4
79.05491	34.9
81.03417	25.6
81.07056	100.0
82.98075	5.0
83.04986	11.0
83.08616	9.1
85.02894	48.2
85.06517	6.2
90.51901	4.3
91.05469	36.4
93.07037	79.3
95.04959	31.6
95.08604	63.6
97.02872	31.3
97.06537	17.6
97.10169	4.8
99.08089	9.9
102.08550	4.7
103.03947	12.9
105.07031	73.3
107.04910	11.0
107.08597	61.8
109.06515	15.3
109.10149	55.7
111.04454	11.0
111.08113	6.0
111.11780	4.2
115.03958	7.7
117.01716	4.4
117.07027	21.6
119.08572	72.9
121.06519	13.4
121.10133	49.9
123.04401	7.3
123.08071	16.0
123.11730	26.9
125.09621	12.4
127.03936	9.9
127.11203	22.4
128.06189	11.1
129.06990	12.8
131.08582	32.7
133.06534	7.4
133.10118	55.9
135.08044	10.4
135.11678	41.6
137.09634	16.9
137.13228	6.9
142.07779	9.0
143.08548	23.9
145.10124	46.2
147.08049	11.3
147.11682	53.5
149.09595	5.6
149.13304	11.0
151.11198	6.2
153.12793	16.4
155.08540	11.2
156.09218	6.5
157.10106	23.3
159.07944	5.6
159.11711	51.4
161.09610	6.1
161.13246	28.6
163.14780	10.5
167.08578	7.5
169.10136	7.9
171.07971	7.3
171.11731	20.0
173.09566	6.8
173.13235	17.4
175.11189	11.8
175.14853	11.4
177.08958	5.8
177.12775	10.4
177.16338	6.5
183.11708	12.5
185.09659	6.0
185.13281	14.1
187.14865	10.7
189.09120	6.4
189.12822	7.6
189.16420	23.3
192.09569	4.8
193.19604	5.1
195.11729	7.3
195.17696	6.0
197.13202	6.6
201.12674	13.0
201.16367	17.9
203.17975	19.3
205.16014	4.8
205.19551	5.1
209.13289	5.8
213.16408	7.2
215.18027	6.6
221.19055	10.7
227.17961	7.8
233.18982	7.8
243.17598	5.7
245.19113	13.1
259.16916	5.7
261.14835	5.5
263.20013	7.4
287.19962	8.2
311.20068	12.8
329.21121	18.5
347.22180	10.7
365.23102	17.5
383.24493	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07960	1.5
53.03934	2.3
55.01884	2.9
55.05515	7.9
57.03421	3.9
57.07086	3.6
61.29427	1.5
67.05509	22.0
69.03429	7.3
69.07060	9.6
70.38045	1.3
71.04994	2.5
71.31109	2.2
73.02913	1.8
77.17262	1.3
79.05500	10.7
81.03402	4.5
81.07058	33.5
82.07359	1.5
83.04992	2.6
83.08613	3.4
85.02901	11.7
85.06516	1.5
87.89011	1.6
91.05479	18.8
93.07035	19.0
95.04962	3.8
95.08608	33.8
97.02905	3.6
97.06539	3.0
97.10154	1.5
99.04439	2.8
100.11255	4.8
105.07032	50.2
106.07385	2.7
107.08585	22.5
109.06520	3.0
109.10162	32.8
110.06055	1.6
111.04436	1.9
117.07037	2.6
119.07774	3.1
119.08586	44.9
120.08919	2.0
121.06461	1.7
121.10151	12.1
123.08048	2.1
123.11702	7.3
127.03892	1.8
129.05482	1.7
129.07001	2.9
131.08563	8.0
133.10136	29.7
135.08003	2.3
135.11711	4.1
137.09587	2.1
138.13910	1.7
143.08502	3.2
145.10133	10.7
147.11691	82.6
148.12074	3.3
149.13251	2.3
151.11157	3.2
155.08482	1.9
156.13809	4.3
157.10121	2.9
159.11667	5.1
161.13246	16.0
172.84293	1.8
175.14822	2.1
183.11649	2.5
184.13332	3.1
185.13290	2.3
187.14861	2.3
189.16460	2.2
193.10049	1.8
198.14894	2.4
199.07579	2.5
199.14922	1.6
201.16345	4.8
203.10706	2.4
203.17961	100.0
204.18295	8.1
210.15004	2.4
211.14856	1.6
215.17973	2.9
221.18993	2.1
232.20764	1.6
233.09657	1.7
249.09267	1.9
254.05693	3.8
257.04343	2.1
261.09268	2.0
263.07056	1.6
278.09262	1.8
279.10037	1.8
293.08344	1.5
293.11575	2.6
305.08228	1.7
311.23276	2.0
315.08569	5.6
321.07700	1.9
321.11154	2.3
322.08353	5.4
323.09195	2.9
329.21036	4.6
330.11215	1.6
336.09818	1.8
337.10498	4.5
347.22049	5.7
351.12238	5.4
352.13083	12.4
353.09940	3.1
353.13754	2.3
365.23062	3.3
368.12561	4.1
383.14957	16.9
383.23654	4.8
384.32101	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2579
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03944	5.4
55.05516	15.3
57.03449	1.9
57.07078	12.0
59.04993	5.4
60.67144	1.7
62.82381	1.6
65.03936	3.7
67.05504	29.8
69.03434	16.8
69.07059	10.6
71.04989	6.2
71.54264	1.7
79.05493	30.2
81.07059	40.2
83.04983	7.6
83.08624	5.1
85.06541	6.4
91.05482	45.2
91.06012	3.3
92.00028	1.6
93.07045	100.0
94.07372	5.3
95.04966	24.1
95.08607	40.5
95.84447	1.6
96.08959	2.3
97.06524	14.7
98.22691	7.3
98.23414	5.2
103.05479	3.8
105.04445	2.6
105.07031	82.8
106.07350	4.9
107.04966	2.6
107.08596	49.3
109.06528	28.1
109.10159	19.0
111.08092	8.0
115.05437	2.8
116.06245	2.4
117.07035	13.2
119.08580	64.4
120.09357	2.9
121.06529	13.3
121.10147	54.6
121.11022	3.3
122.10471	2.0
123.07283	2.8
123.08080	28.9
123.11691	3.4
124.08459	2.1
128.06230	8.8
129.07008	12.7
130.07797	3.9
131.08572	29.6
133.06555	9.2
133.10130	37.9
133.11061	3.3
134.10493	3.2
135.08051	22.3
135.11696	8.4
137.05983	2.9
137.09592	14.4
141.06972	4.9
142.07796	21.7
143.08572	21.8
144.09323	3.4
145.06454	2.2
145.10118	42.7
146.07286	3.0
146.10550	2.0
147.08063	26.6
147.11678	15.9
148.08778	2.2
149.09645	20.8
149.13289	2.6
151.07549	42.5
151.08740	2.4
153.09142	4.8
155.00668	1.9
155.08580	8.9
156.09351	9.0
157.10143	40.2
158.10791	3.0
159.08076	5.5
159.11708	19.8
160.08868	3.7
161.09612	21.3
161.13222	9.6
163.11182	7.4
165.07033	2.6
165.09116	47.9
167.08543	3.2
167.10623	2.1
169.10136	7.9
170.10904	7.6
171.11609	8.8
172.09010	2.0
172.16350	1.8
173.09621	11.7
173.13229	11.5
175.11192	19.3
175.14789	11.2
177.09169	9.6
177.12871	2.3
179.08574	2.7
181.10107	4.2
182.10992	3.0
183.11609	10.2
185.09657	2.9
185.13257	14.7
187.11165	6.0
187.14818	6.1
189.09169	2.2
189.12772	14.3
189.16333	2.1
191.10764	2.3
192.09383	2.1
193.10054	3.5
194.10994	2.8
195.11690	5.6
196.12340	2.5
196.20805	1.8
197.13292	7.2
199.11162	4.5
199.14842	4.7
201.12756	7.1
201.16429	6.8
203.14313	32.0
204.14609	2.2
205.12206	2.0
207.11931	2.7
207.13667	11.7
208.12471	2.8
209.13254	4.8
209.15320	5.4
211.11302	2.4
211.14845	2.5
213.12808	5.0
213.16408	3.3
215.14355	6.6
215.18007	2.5
217.12265	3.1
217.15991	3.2
219.07826	2.0
219.13792	5.2
221.13306	2.8
221.15349	78.8
222.15730	3.5
223.14647	2.2
225.12741	2.1
225.16379	5.0
229.19469	1.8
231.13760	2.1
233.15356	4.7
234.16136	8.4
237.16646	2.5
241.15883	2.8
243.13840	4.2
243.21181	2.5
255.28772	2.1
267.17538	2.3
278.09454	2.2
285.18442	2.4
286.19461	4.3
287.20047	7.1
293.07880	2.1
293.11591	1.9
299.20187	4.4
301.21417	3.4
303.19638	6.8
309.18423	4.0
313.21643	2.7
321.11435	2.4
323.08899	3.3
325.10916	2.9
347.23645	3.0
351.12326	2.9
365.24823	8.9
383.10699	2.8
383.14725	5.3
383.25638	42.2
383.29630	9.4
384.26099	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57792	2.7
52.90293	2.7
53.03947	7.7
55.01859	2.9
55.05507	16.0
57.07076	11.2
59.05004	6.2
59.88239	2.9
67.05503	34.9
69.03428	13.0
69.07069	12.3
69.41309	20.9
71.04996	7.1
72.82408	2.7
79.05497	32.9
80.35687	3.0
81.07054	35.2
83.04951	8.7
83.08607	4.6
85.06541	5.0
91.05484	44.5
93.07042	100.0
94.07392	3.7
95.04973	25.1
95.08612	41.9
97.06544	14.7
103.05509	5.4
105.04602	3.5
105.06374	5.8
105.07037	80.5
107.04954	3.9
107.08598	48.8
109.06526	27.3
109.10155	23.6
111.08076	10.7
115.05424	8.2
116.06284	3.1
117.07010	12.1
119.04943	3.9
119.08587	65.7
121.06549	14.5
121.10149	43.4
122.07255	3.0
123.08057	32.2
123.11671	3.1
128.06248	8.5
129.07024	6.6
130.07802	4.9
131.08568	36.7
133.06468	8.5
133.10136	35.4
135.08055	18.7
135.11633	5.2
137.05991	3.2
137.09607	10.8
137.27922	2.9
141.07005	5.7
142.07797	18.2
142.44644	3.4
143.08562	25.7
145.06464	5.9
145.10124	39.7
146.07222	3.1
147.08066	24.8
147.11685	20.7
148.08846	4.5
149.09633	23.9
151.07550	38.1
152.07877	4.4
155.08557	8.4
156.09384	5.9
157.10143	38.3
159.08119	8.3
159.11716	18.1
160.08824	5.8
161.09592	19.8
161.13319	10.1
163.11125	8.6
165.07083	5.8
165.09088	39.8
169.10110	6.8
170.10922	6.8
171.11667	8.0
173.09639	12.4
173.13239	10.3
175.11230	20.3
175.14801	9.7
177.06862	4.2
177.09082	7.3
178.07869	4.6
179.08580	7.3
179.10817	3.4
181.09953	4.1
182.10896	3.4
183.11708	11.8
185.09731	5.0
185.13271	19.7
187.11188	8.1
187.14833	5.0
189.12798	9.9
195.11707	5.6
197.13261	7.7
201.12718	6.0
203.10582	3.2
203.14297	33.3
205.06593	4.0
206.10893	3.8
207.08025	3.5
207.13782	14.2
209.13382	3.4
209.15396	4.1
211.14821	5.2
213.12808	4.7
215.14288	6.9
219.13765	4.5
221.15364	66.2
225.12720	3.4
227.03349	12.0
233.15431	9.7
234.16177	8.8
235.07591	4.5
243.13799	9.2
249.05478	7.5
249.09056	4.7
250.06148	3.4
250.09515	3.9
251.07086	6.9
253.04984	4.3
262.06125	3.7
262.09174	3.8
263.07129	18.7
263.09857	3.6
264.07748	12.6
265.08347	9.5
265.11221	3.9
274.19336	4.0
277.08405	5.0
278.09241	8.5
279.06543	3.9
279.09668	5.7
286.19308	4.8
287.19989	8.3
290.09171	3.7
291.06403	9.5
291.09811	5.7
292.07269	5.1
293.07898	7.8
293.11450	8.2
294.08267	4.1
295.09351	4.6
299.20068	4.5
303.19638	9.0
305.08176	3.6
306.08029	4.1
307.08990	4.8
308.06754	7.8
309.07346	7.0
309.10522	5.5
310.07962	4.2
321.07086	4.8
321.10962	6.9
322.07379	4.7
323.09128	30.3
324.09439	6.6
325.06912	4.3
325.10730	3.8
336.09302	15.8
337.09839	23.0
341.10211	3.8
351.08447	11.7
351.12250	19.1
352.12347	27.3
353.13174	6.0
355.11597	4.1
365.24796	15.2
382.10800	4.5
383.10962	28.6
383.14499	36.6
383.21216	4.4
383.25717	69.3
383.30090	6.9
384.11530	6.9
384.26184	12.8
401.12894	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.4
55.01855	3.4
55.05510	23.4
56.36707	2.7
57.07071	9.9
59.05003	6.8
65.03935	6.4
67.05226	3.1
67.05512	33.5
69.03432	14.9
69.07067	13.3
69.17348	21.7
71.04993	8.5
71.70000	2.8
79.05491	31.4
81.07060	39.2
83.04974	7.5
83.08627	3.9
85.02880	3.2
85.06553	6.9
91.05476	51.0
93.07044	100.0
95.04976	35.0
95.08603	39.5
97.06536	14.3
105.07027	83.1
107.04952	6.0
107.08588	49.7
109.06509	29.5
109.10142	21.2
111.08086	11.6
116.06250	3.2
117.07033	16.2
119.08593	55.1
121.05617	2.5
121.06509	12.1
121.10146	42.8
123.08084	29.9
123.11741	4.3
124.99655	3.2
128.06267	11.2
129.07034	15.4
130.07767	5.7
131.08566	29.8
133.06487	10.7
133.10129	28.7
135.08076	24.7
135.11714	7.2
137.09633	11.7
141.07011	6.6
142.06784	4.0
142.07773	24.1
143.08557	26.7
144.09319	5.3
145.06517	4.0
145.10133	44.2
147.08043	27.1
147.11667	15.2
148.08754	4.4
149.09619	23.9
151.07550	41.3
153.09099	4.3
155.08530	6.4
156.09326	8.3
157.10120	39.2
157.68430	3.2
158.07323	2.9
159.08072	8.9
159.11720	17.6
160.08882	4.7
161.09601	22.0
161.13222	8.8
163.11232	3.8
165.07068	3.6
165.09138	44.8
169.10045	4.1
170.10922	9.1
171.11673	11.3
173.09645	12.8
173.13281	10.9
175.11189	19.9
175.14798	9.1
177.09111	10.1
179.08629	3.8
183.11690	6.1
185.13278	19.3
187.11166	5.5
187.14809	4.0
188.08264	3.3
189.12766	12.2
191.14340	3.4
193.10149	6.0
197.13382	4.2
199.11127	4.5
201.12741	5.2
203.10657	10.8
203.14355	32.5
207.08093	3.1
207.11888	4.8
207.13852	12.5
209.09651	4.2
209.13330	6.6
209.15347	6.6
213.12733	3.5
215.14256	8.6
216.15099	3.5
219.13831	4.0
221.13284	4.4
221.15359	58.2
223.11086	3.6
225.05283	3.3
225.09073	3.6
231.13681	5.4
233.15364	5.4
234.16124	6.1
235.07382	6.6
237.15016	4.0
241.05034	3.9
243.13797	7.1
247.07555	3.2
249.09108	5.9
250.09937	7.7
251.10634	4.8
253.08569	4.8
255.06471	6.4
256.07239	6.1
259.64813	3.4
261.09158	9.5
262.09787	4.0
263.07059	13.4
263.10706	8.0
264.07764	6.0
265.08551	9.0
267.06363	5.2
269.19116	4.2
270.09055	3.0
276.07806	3.3
277.08591	11.8
278.09332	17.7
279.06610	3.4
279.09924	6.2
280.07278	4.1
280.10794	6.4
282.08875	5.9
283.06009	10.5
286.19098	5.9
287.19894	7.4
289.08453	4.8
291.10110	12.8
292.10550	5.6
293.04251	2.8
293.08057	13.4
293.11679	23.6
295.06259	3.7
295.09631	8.8
295.13187	6.7
297.07672	4.9
298.08359	12.8
299.05536	4.7
299.08908	4.8
299.20178	5.9
300.10056	5.7
303.19489	7.3
305.07986	8.2
306.08777	7.6
307.09671	9.4
307.13147	4.4
308.10239	9.8
309.11142	5.6
309.18414	4.6
310.08615	3.7
310.12088	4.3
311.09152	6.3
312.10065	5.0
313.10770	5.4
314.07846	25.7
315.08575	5.1
319.09570	7.5
320.10300	8.2
321.07709	6.7
321.11017	23.7
322.08466	4.7
322.11972	12.5
322.15524	4.7
323.09241	5.3
323.12836	12.6
325.14255	5.7
326.11505	8.8
327.08682	5.1
336.09988	7.5
337.10654	14.3
338.11435	3.9
338.14969	3.8
341.10153	8.4
351.12219	29.9
352.12994	28.2
353.09991	5.1
353.13821	41.2
353.17841	5.5
354.14349	7.8
365.24689	8.1
368.12448	8.3
369.16949	5.8
383.14828	74.2
383.25778	59.2
384.15265	15.9
384.19485	7.8
384.26144	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07133	1.2
53.03941	2.9
54.57585	1.1
55.05512	25.8
57.03426	1.8
57.07082	9.9
65.03935	2.0
65.90506	1.2
67.05173	2.2
67.05505	27.2
69.03439	1.9
69.07068	61.2
69.10117	12.1
71.04993	1.5
71.08629	3.0
79.05492	13.8
81.07060	39.2
83.05002	6.3
83.08620	17.7
91.05486	17.2
93.07047	45.4
95.04959	3.3
95.08607	93.5
96.08939	3.1
97.06521	5.5
97.10145	6.4
99.04449	2.9
103.05373	1.8
105.07032	56.9
106.07374	3.1
107.08595	52.0
109.06532	3.9
109.10155	40.5
111.04436	4.2
111.08091	15.0
111.11713	3.0
113.06012	4.5
115.05433	2.2
117.07027	11.4
119.08584	100.0
120.08907	3.1
121.06505	4.8
121.10143	54.2
123.08083	12.9
123.11707	30.7
124.12099	1.6
128.06258	1.9
129.07034	4.4
130.07793	2.7
131.08569	35.0
133.06630	1.4
133.10135	50.1
135.08020	1.6
135.11708	24.5
137.09625	2.6
137.13280	6.6
139.07561	6.1
141.08183	1.5
141.09058	8.6
142.98782	1.3
143.08585	10.5
144.09398	6.3
144.86253	1.2
145.06445	1.8
145.10121	51.6
146.07278	2.1
146.10800	1.6
147.08025	4.8
147.11684	35.0
149.09572	2.7
149.13245	20.6
150.13596	1.9
151.14934	1.4
156.09337	4.1
157.10135	14.3
158.10838	4.0
159.08052	2.5
159.11702	75.2
160.12354	4.0
161.09641	20.5
161.13257	77.2
162.13605	5.1
163.11160	4.5
163.14832	15.4
169.10141	2.4
170.10950	2.6
171.11673	15.1
172.08817	2.4
172.12457	5.1
173.09630	2.7
173.13255	48.7
174.13785	4.0
175.11223	4.9
175.14825	16.3
177.16379	18.3
179.10686	8.3
180.83438	1.2
183.11687	2.7
185.09630	2.2
185.13260	15.0
186.13992	5.8
187.11212	4.9
187.14821	41.3
188.15370	3.5
189.12746	7.0
189.16382	16.6
191.10823	2.0
191.17902	2.5
197.13287	4.0
199.11166	1.6
199.14853	10.0
200.15590	5.6
201.12677	1.9
201.16364	15.2
202.16969	2.2
203.10608	2.1
203.17914	9.0
205.12280	2.6
205.19519	15.9
207.13872	3.6
211.14822	2.2
213.12724	1.4
213.16382	5.6
215.14430	1.5
215.18019	10.1
218.07262	1.5
223.14873	1.6
225.16434	2.4
227.17883	8.9
229.19591	7.4
230.09424	6.6
231.13809	1.7
233.09570	2.9
235.07616	3.2
239.17990	1.6
241.19504	4.6
242.20187	3.4
243.21077	84.1
244.21519	7.4
245.15317	2.1
245.22585	4.1
247.07256	1.4
247.17097	1.6
249.09105	2.1
250.09918	3.7
251.10760	1.9
255.21027	2.3
256.21759	1.8
261.09143	5.0
262.26398	1.5
263.07019	5.7
263.10828	2.4
264.07806	2.0
267.10187	3.0
269.22736	2.8
276.07788	2.2
277.08661	7.6
278.09262	11.2
279.10141	2.7
283.20578	2.1
284.24985	6.6
287.20096	1.7
291.06970	2.8
291.10165	6.2
292.10553	1.9
293.08472	2.6
293.11755	8.9
294.12134	2.2
295.09726	2.0
299.20099	5.4
301.21606	22.8
305.08041	6.8
306.08856	2.3
307.09650	4.2
313.21695	3.5
315.08594	1.6
315.23267	3.5
319.09769	6.9
320.10333	3.9
321.07709	2.5
321.11221	10.8
322.11780	2.5
327.23074	13.0
328.23392	1.7
336.10010	5.0
337.10742	7.7
338.11517	2.5
351.12216	11.1
352.13010	11.5
353.13782	6.1
365.28549	2.8
383.14935	23.2
383.29413	96.5
384.15195	3.0
384.29794	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2943
Annotation	Jaspaquinol
Peak:m/z	Relative Intensity
53.03941	4.7
55.05515	21.6
57.07076	5.3
67.05507	26.9
69.03416	3.3
69.07072	25.6
69.15565	12.9
79.05495	22.7
81.06579	3.7
81.07063	59.4
83.04985	31.4
83.08622	12.9
91.05488	18.2
93.07047	58.9
94.07332	2.5
95.04967	5.4
95.08610	100.0
96.08943	2.3
97.06535	3.0
97.10170	4.8
99.04486	2.4
105.07031	43.1
106.68753	1.4
107.08596	75.5
108.08916	3.0
109.06508	4.5
109.10163	39.6
110.10514	1.8
111.04449	12.1
111.08067	6.1
111.11777	2.3
113.06026	3.3
117.07033	7.5
119.08587	42.2
119.94891	1.3
121.06495	3.7
121.10152	37.7
123.08070	5.2
123.11716	24.3
125.06031	1.8
128.06216	2.5
129.06987	4.5
130.07826	1.7
131.08566	24.9
133.06502	1.8
133.10144	29.3
135.08040	2.8
135.11697	30.0
137.05988	3.7
137.13255	8.7
139.07550	5.1
141.06993	2.4
141.09076	1.9
142.07777	3.7
143.08568	12.3
144.09309	2.4
145.10133	35.6
146.10837	3.5
147.08067	3.3
147.11690	44.2
148.12042	1.9
149.09630	2.4
149.12132	3.3
149.13268	49.0
150.13605	2.3
151.14796	5.3
155.08629	2.1
156.09253	2.7
157.10139	20.3
159.08090	2.4
159.11710	33.3
160.12349	3.3
160.54788	1.6
161.09604	5.5
161.13260	14.4
163.14824	42.8
165.09062	2.2
169.10178	2.4
170.10896	2.6
171.11723	14.3
172.08817	1.8
173.09639	4.6
173.13281	17.8
175.11217	3.5
175.14833	7.2
177.16412	6.0
183.06305	1.5
183.11661	2.5
185.09613	4.1
185.13316	13.8
186.10423	3.9
187.11172	5.2
187.14842	18.0
189.12839	1.7
189.16432	8.5
189.41032	1.5
191.17935	4.5
197.13347	2.8
199.11139	8.3
199.14828	9.6
200.15544	2.5
201.12613	3.0
201.16412	12.1
203.14326	2.1
203.17946	4.3
205.19681	1.8
207.13812	2.8
211.14780	2.4
213.12741	4.4
213.16408	4.6
215.14371	7.1
215.17972	6.5
217.12283	2.9
219.13855	4.3
221.15460	3.3
227.14421	2.6
227.17952	5.2
229.19554	3.5
231.13800	10.4
233.15331	9.5
241.19519	6.9
242.20259	2.7
243.21089	66.4
244.21490	5.5
245.15361	6.9
245.22815	4.3
247.16927	3.2
251.10661	1.6
255.21126	4.3
259.17032	7.8
269.19110	1.3
269.22552	3.8
273.18552	1.5
283.24191	8.7
284.24954	9.7
285.25668	2.2
293.11404	2.1
299.20050	2.3
307.16965	2.4
309.25818	5.2
313.21619	2.1
321.18546	7.9
321.22015	2.5
322.19217	1.8
327.23166	2.8
337.10400	2.0
337.21564	4.9
337.28979	3.4
351.12125	3.9
352.12616	4.0
353.13586	2.9
365.21118	36.4
365.28467	4.6
366.21545	4.7
383.14603	5.0
383.29459	64.4
384.29907	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33700	0.9
67.05519	1.2
69.22249	8.1
75.11687	0.8
79.05492	1.1
81.07052	1.3
83.00237	0.9
85.02916	1.2
91.05477	1.9
95.08641	1.3
107.71915	1.1
119.08628	0.9
161.31955	1.2
165.07005	1.0
173.06201	1.1
175.07578	1.5
189.09111	2.0
191.08575	1.6
195.08040	1.1
202.06244	1.3
203.07094	1.7
204.09116	1.2
205.06573	1.3
205.67989	1.0
208.08838	3.1
209.06078	1.0
209.09267	0.9
218.07335	2.4
219.07982	4.4
220.08582	2.4
221.06029	1.8
222.06465	1.1
223.07478	1.9
223.11230	2.8
225.05573	1.5
225.09079	1.5
232.08914	1.3
233.05899	1.2
233.09691	3.2
234.06924	1.3
235.07585	3.4
235.11037	1.5
236.08263	7.0
237.05658	1.6
237.08578	2.1
239.07092	1.2
246.06900	1.7
247.07602	6.6
248.08270	4.3
249.05573	3.1
249.09036	3.3
250.06058	1.6
250.09859	4.1
251.07118	2.7
251.10712	9.7
252.10828	1.6
253.05043	1.3
253.08601	2.9
253.11034	1.8
255.06546	1.7
261.09085	2.8
262.06458	1.1
262.09778	2.7
263.07071	3.9
263.10590	4.8
264.07779	11.8
264.10358	1.7
265.08551	5.6
266.09525	2.5
266.12369	1.7
267.06729	1.5
267.10028	2.3
268.07330	1.5
268.13199	1.2
275.07153	1.4
276.07825	2.3
277.08414	5.8
278.09271	6.3
279.06845	2.3
279.10129	28.7
280.07043	1.5
280.10159	5.5
281.07883	3.1
281.10449	1.8
282.08704	1.5
283.09686	1.2
289.08774	1.9
290.09186	2.2
291.06775	2.3
291.10141	5.9
292.07245	1.7
292.10730	2.9
293.08020	4.7
293.11533	3.8
294.08801	4.3
294.11826	3.4
295.09192	2.0
295.12854	2.4
296.06631	1.3
296.09906	1.9
296.12943	2.6
297.07730	1.7
298.08499	1.4
299.08987	1.2
305.08035	7.1
305.11197	1.4
306.08844	5.1
307.06247	1.9
307.09607	10.1
308.09909	3.7
309.07599	2.6
309.11243	12.1
310.11636	2.4
311.09106	2.4
311.12656	2.9
315.08170	1.3
316.09338	1.6
319.09805	2.4
320.10382	3.4
321.07639	1.7
321.11197	8.0
322.08240	2.8
322.11542	5.4
323.09119	6.1
323.12656	5.1
324.09518	3.6
324.12872	2.8
325.07141	1.5
325.14185	2.0
336.09824	1.6
337.10672	24.8
337.14359	1.7
338.11407	13.0
339.12305	12.1
340.12796	1.2
341.10242	4.6
341.13953	2.7
351.12277	2.0
352.12717	8.7
353.13577	16.3
354.13248	34.3
355.11902	1.5
369.13306	46.1
370.13681	5.4
384.15625	100.0
385.16245	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86231	1.7
52.93285	1.7
56.54634	1.9
57.07075	69.2
67.05509	2.9
69.03430	4.6
70.06595	6.9
71.04975	1.5
71.29808	3.3
73.02924	2.0
81.03429	2.6
81.07073	9.1
85.02917	10.5
85.06551	54.7
86.06863	1.8
91.05484	2.8
95.08630	2.4
95.99784	1.7
97.02905	2.5
99.08102	2.8
107.04923	2.1
107.08616	2.4
108.16666	1.5
109.06522	5.4
117.07001	1.8
117.31936	1.8
121.10139	2.0
123.11721	3.3
127.03838	3.1
127.07558	4.9
133.10127	2.4
137.05981	1.9
141.09105	19.1
141.12769	2.0
145.08607	45.6
159.10178	100.0
160.10457	4.1
163.03862	1.8
167.07111	5.0
181.04863	1.7
205.10725	22.9
205.12328	3.4
223.09422	10.0
282.08810	2.2
303.62854	1.8
343.11758	3.3
385.13693	5.7
385.18317	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06651	0.2
69.54040	1.1
80.29376	0.2
81.39465	0.2
99.29474	0.2
109.22519	0.2
120.24690	0.2
133.89645	0.2
135.46449	0.2
145.05350	0.2
157.59431	0.2
173.09610	0.3
175.78848	0.2
179.08476	0.2
181.06433	0.4
194.07272	0.3
195.08089	0.4
196.08765	0.2
197.05951	0.4
199.07428	0.3
201.09021	0.3
202.09874	0.3
207.08203	0.3
208.08823	0.3
209.09613	0.3
210.06708	0.4
211.07463	0.7
211.10863	0.2
212.08261	0.4
217.10214	0.3
218.07278	0.3
219.08026	0.5
220.08807	0.5
221.05922	0.3
221.09581	0.7
222.06830	0.3
222.10274	0.3
223.07422	0.4
223.11134	0.5
224.08244	0.8
225.05414	0.4
225.09032	0.9
226.06157	0.2
226.09801	0.4
227.07027	0.9
227.10545	0.3
231.07944	0.4
232.08821	0.5
233.09601	0.9
234.10268	0.6
235.07466	0.5
235.11235	1.3
235.13283	0.3
236.08301	0.5
236.11862	0.5
237.05431	0.4
237.09013	1.1
238.06180	0.5
238.09818	0.4
239.07042	1.0
239.10616	0.8
240.07886	0.8
241.04863	0.3
241.08568	0.8
242.09221	0.7
245.09615	0.4
246.10289	0.5
247.07541	0.6
247.11177	0.8
248.08395	1.2
248.11755	0.3
249.09111	2.1
249.12653	0.6
250.06474	0.3
250.09731	1.0
251.06982	0.7
251.10638	1.8
252.07776	1.0
252.11464	1.2
253.08737	1.2
253.12158	0.3
254.05597	0.3
254.09273	1.5
255.06468	2.1
255.10237	1.0
255.13695	0.4
256.07159	0.5
260.08350	0.4
261.09122	1.3
262.09894	1.2
263.06912	0.6
263.10657	4.8
263.13525	0.4
264.07834	0.8
264.11414	5.6
265.08560	3.2
265.12097	2.1
266.06061	0.2
266.09277	0.9
266.12787	0.6
267.06528	0.8
267.10098	1.7
267.13751	1.6
268.07260	0.7
268.10892	1.6
269.08090	1.0
269.11609	0.8
270.08871	2.5
271.06067	0.2
271.09595	0.8
272.10086	0.3
275.10562	0.9
276.08191	0.4
276.11429	4.0
277.08572	3.0
277.12073	3.0
278.09222	1.5
278.12878	1.7
279.07126	0.3
279.10147	5.1
279.13699	2.6
280.07645	0.3
280.10934	7.0
280.13898	0.5
281.08023	1.5
281.11609	1.9
282.08838	0.5
282.12305	0.4
283.05957	1.2
283.09579	1.9
283.13275	1.6
284.10352	0.6
285.08081	0.4
285.11151	1.9
286.11911	0.3
290.09177	0.6
290.12717	0.5
291.10114	3.1
291.13742	0.9
292.07501	0.5
292.10928	8.4
292.14365	0.8
293.08066	1.6
293.11624	4.3
293.14911	0.4
294.08734	0.8
294.12396	2.7
295.09677	1.5
295.13245	12.0
296.07147	0.4
296.10394	2.6
296.13666	1.3
297.07739	0.5
297.11188	1.4
298.08304	1.6
298.11856	0.6
299.09329	0.4
299.12787	0.6
305.11761	1.5
306.09283	0.3
306.12451	1.5
307.09659	2.8
307.13226	24.6
308.10342	5.6
308.13821	3.5
309.11081	2.6
309.14810	2.6
310.11853	1.1
310.15610	3.5
311.09070	1.5
311.12753	5.1
311.16208	0.5
312.09998	0.5
312.13300	1.0
313.07028	0.4
313.10651	6.3
313.14154	0.4
314.11087	0.9
315.12241	0.4
320.13904	0.4
321.11188	1.3
321.14667	0.5
322.12106	2.1
322.15613	31.1
323.12762	35.4
323.16110	3.3
324.09912	0.6
324.13254	5.3
325.10599	0.8
325.14307	0.7
326.11383	0.5
326.15067	2.2
327.12244	0.8
327.15689	0.4
328.09488	0.3
328.12997	1.4
329.13699	0.5
337.14197	2.5
338.15109	61.8
339.12183	8.3
339.15643	5.9
340.12827	1.3
340.16443	0.3
341.10211	0.3
341.13760	1.9
341.17563	1.6
342.14432	0.4
343.11639	0.6
352.16580	0.5
353.13919	1.5
353.17465	35.4
354.14542	9.6
354.18063	3.4
355.11536	0.4
355.15356	3.4
367.11765	0.3
369.16971	54.6
370.17383	6.5
383.18796	0.4
384.19290	100.0
385.19910	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.3
55.05513	31.7
67.05519	7.9
69.03438	4.8
69.07091	3.4
71.04994	26.1
73.68871	3.3
79.05504	9.1
81.04079	3.3
81.07063	56.9
83.04982	21.5
85.02919	9.8
93.07057	4.4
95.04960	3.2
95.08588	4.5
97.06546	9.8
105.07018	21.5
107.08597	9.7
109.10163	9.3
121.96984	3.9
122.09692	5.5
123.11731	8.5
127.11191	8.2
133.10127	4.0
136.06219	10.1
145.04999	3.5
151.11235	10.0
152.07117	5.1
162.07779	15.1
169.12253	100.0
185.04301	11.0
192.05183	6.5
194.08199	4.3
196.00024	3.2
203.05116	3.5
204.06523	5.2
212.08977	4.7
222.04520	5.9
222.07660	10.3
223.05849	11.9
223.09471	13.3
234.06155	3.8
252.07254	27.9
349.00781	3.4
358.49054	3.3
384.09280	48.0
384.14148	5.9
385.10413	9.9
385.14694	85.2
385.18558	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13508	3.5
57.03430	3.8
63.55670	3.5
68.41220	4.0
69.07079	6.6
70.06587	5.5
71.05000	13.8
79.05496	5.9
81.03387	3.8
81.07060	50.7
83.04999	7.4
85.02939	18.4
91.05513	3.5
93.07031	5.0
95.06249	3.5
95.08622	15.0
97.06566	8.5
99.04475	5.3
107.08592	6.6
109.06521	4.2
109.10188	12.7
110.07183	4.1
111.11790	6.5
123.08057	23.0
123.11723	17.1
125.06028	8.1
127.03941	6.2
139.11183	6.5
141.09116	8.4
143.07092	6.1
149.28212	3.9
151.07553	39.9
151.11197	17.1
157.12190	9.8
166.08601	4.4
169.08647	16.7
169.12224	26.1
179.28006	3.9
185.04388	4.7
187.06023	5.5
187.09660	42.4
187.13295	100.0
187.41940	3.2
194.40056	4.5
194.97374	5.6
205.10753	13.0
212.98447	4.4
222.02266	4.5
223.09444	36.7
237.95778	6.7
246.99554	5.4
252.97987	4.3
276.64648	4.0
343.99869	5.8
384.12518	19.7
385.14709	73.0
385.29858	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96986	1.7
57.03425	2.1
58.99867	2.1
64.14459	1.7
69.03427	7.3
70.06582	5.4
71.05014	2.9
71.09406	4.0
79.05514	2.4
81.03429	5.8
81.07066	1.7
82.99851	4.0
85.02896	11.1
85.06538	1.9
86.99290	1.7
91.69563	1.6
97.02881	12.4
98.97599	5.2
101.00878	34.2
103.00624	3.1
103.05484	2.2
105.07062	9.3
109.02870	7.9
113.00880	6.8
115.05473	3.4
116.98654	2.8
119.01921	89.0
120.02047	5.3
121.01665	9.1
121.02942	4.4
123.04433	4.2
127.03919	2.8
131.01904	21.5
133.02745	2.9
133.03606	2.3
133.06512	10.1
137.02951	15.0
139.02563	1.8
143.01900	31.0
144.02132	1.9
145.03481	21.2
145.04720	2.5
149.02930	3.6
155.01880	25.5
157.01607	2.6
157.03510	12.2
161.02962	100.0
161.05894	17.5
162.03099	7.5
163.02728	2.6
163.04544	3.4
165.05508	2.0
167.01930	4.3
167.07051	3.9
173.02963	30.2
175.03014	2.0
175.04556	6.8
177.05508	5.8
179.01912	5.3
179.04008	6.1
180.97546	3.2
181.03503	7.2
183.01501	2.8
184.02187	27.2
184.04578	3.7
185.02975	32.2
186.03137	2.8
187.02641	2.1
187.04465	6.1
191.04007	2.3
193.08669	8.6
197.02963	41.5
198.03145	3.6
198.98567	7.1
199.02782	4.7
199.04572	3.4
202.03276	12.3
203.04010	26.1
205.03702	2.2
207.01303	2.5
208.02222	10.9
209.02885	3.0
215.04045	8.4
217.03741	3.5
219.01906	3.2
221.03046	4.3
221.05078	15.4
222.03691	2.5
223.02629	3.0
223.04469	2.9
226.03255	16.0
227.03964	6.6
232.02113	4.0
233.04840	3.0
235.04504	3.3
238.03374	2.5
240.04868	3.5
241.05582	14.5
244.04279	4.8
245.05072	76.4
246.05237	4.3
247.04846	4.8
250.03217	17.5
251.03473	3.8
251.09142	3.7
252.04750	2.2
253.05621	9.6
261.02682	2.1
262.03204	11.2
263.06113	16.6
265.05750	15.8
268.04263	4.1
277.05817	4.5
279.00583	2.5
283.06799	12.4
307.06696	6.4
310.05298	38.9
311.05682	3.9
325.07971	15.3
328.06494	2.2
343.09085	9.9
385.09866	57.6
385.14743	7.9
386.09830	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1279
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
55.01863	1.6
65.03943	2.1
65.04239	0.4
67.05508	0.8
67.63135	0.3
68.21450	0.4
69.03418	0.5
79.05491	0.7
81.07035	0.5
85.02899	0.9
91.05476	1.0
93.03405	1.2
95.04974	0.5
98.23371	0.9
103.05495	0.6
105.07050	0.5
107.04924	0.8
108.02127	0.4
110.03651	1.5
111.04431	1.6
115.05453	0.9
118.04200	0.4
119.04900	0.4
121.02874	0.8
121.06515	0.5
123.04479	0.5
125.05988	1.6
128.06244	0.6
129.06993	0.6
131.04924	1.2
131.08513	0.4
132.05698	0.4
133.06532	0.5
135.08060	0.7
137.05940	0.9
138.03023	0.4
141.07019	0.4
144.05711	0.7
145.06465	0.7
147.04298	0.6
149.02330	1.1
149.05965	0.7
151.03896	1.9
152.06250	0.9
153.05461	3.3
153.06778	0.7
159.04358	0.8
159.08044	1.3
161.05986	0.9
165.06985	3.7
166.07790	0.9
167.08571	1.2
168.05679	0.6
173.05923	0.5
176.06036	0.4
177.06953	0.8
178.07756	3.1
179.08516	2.8
180.09253	0.6
181.05109	0.4
181.06544	2.3
181.10030	0.6
182.07228	1.5
183.08070	1.1
185.06064	0.9
189.07013	1.5
190.07718	2.2
191.08527	3.2
192.09273	0.5
193.04950	0.7
193.06483	1.8
193.10175	0.4
194.07188	3.0
195.08038	3.2
196.05182	0.6
196.08720	0.8
197.05997	0.9
197.09630	0.6
198.06725	0.8
199.07578	0.7
202.07767	1.7
203.08643	2.0
205.06500	3.7
206.07343	2.3
207.04547	0.5
207.08017	4.3
208.08754	2.1
209.05968	1.6
209.09549	1.9
210.06792	1.8
211.07573	3.6
211.11180	0.4
212.08220	0.4
213.09189	0.5
215.08833	0.5
218.07329	2.8
219.08076	5.6
220.05312	0.5
220.08783	1.5
221.06081	3.0
221.09523	2.2
222.06763	3.2
222.10258	0.5
223.07523	3.9
223.11005	0.7
224.08319	2.8
225.09088	3.3
226.06091	0.6
226.09671	0.6
227.07001	1.6
231.08203	2.3
232.08849	1.4
233.05981	0.8
233.09644	1.4
234.06767	3.2
235.07523	7.8
236.08221	4.1
237.05470	1.0
237.09050	3.7
238.06209	1.7
238.09787	1.0
239.06972	3.1
239.10603	0.9
240.07718	1.1
241.08542	1.6
242.09531	0.6
245.05975	0.7
246.06747	1.4
247.07533	4.4
248.08221	2.1
249.05542	1.6
249.09076	4.0
250.06317	2.5
250.09866	1.5
251.07001	6.5
251.10703	1.3
252.07770	2.9
253.05031	0.4
253.05876	0.5
253.08537	4.1
254.09386	1.1
255.06589	0.6
255.10208	1.6
259.07495	0.9
260.08316	0.8
261.05417	0.7
261.09119	2.1
262.06232	0.9
262.09634	0.5
263.07028	4.0
263.10574	0.9
264.07785	4.1
265.08569	6.3
266.06070	0.4
266.09372	2.2
267.06573	1.4
267.10141	4.8
268.07376	0.9
268.10785	0.9
269.08026	0.9
269.11667	0.8
271.09668	1.0
274.06259	0.9
275.06998	1.6
276.07797	1.4
277.08542	3.0
278.05716	0.4
278.09323	2.7
279.06552	2.4
279.10168	4.7
280.07236	1.6
280.10620	1.1
281.08072	4.0
281.11395	0.6
282.08823	1.6
283.09570	1.5
289.08557	0.9
291.06631	0.7
291.10159	1.2
292.07281	1.1
293.08051	2.2
293.11447	0.7
294.08929	0.7
295.09558	4.7
296.10071	0.9
297.08063	0.5
297.11224	2.3
299.09384	0.9
306.08908	0.9
307.09631	24.8
308.09982	3.1
309.07831	0.7
309.11157	3.9
310.08298	0.9
310.11652	0.7
311.09058	1.2
311.12756	0.5
313.10748	1.5
321.11292	0.6
323.09164	5.6
324.09674	1.3
325.10690	5.1
326.11124	0.8
329.13855	0.7
335.09387	0.4
337.10757	1.8
338.11359	0.7
339.12299	3.0
353.10187	1.0
355.11554	2.0
356.12296	0.7
357.13260	2.0
367.11826	1.4
385.12793	100.0
386.13177	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20895	2.0
69.13944	15.3
69.14347	4.2
83.74605	2.1
84.01550	1.9
98.23378	5.2
110.97454	2.0
125.23074	2.2
129.65941	2.0
153.07033	2.7
155.08542	2.8
165.07126	2.7
167.08633	3.1
179.08597	3.9
181.06529	6.5
182.07298	3.4
191.53506	2.0
193.06555	3.0
194.07254	5.7
195.08044	9.1
196.05170	3.4
196.08784	3.6
197.06065	3.7
198.06821	3.3
199.07477	4.2
207.08084	4.9
209.05994	7.6
210.06789	6.7
211.07608	5.5
212.08139	3.1
219.07936	2.1
220.05138	3.5
221.05977	8.1
222.06743	5.3
223.07538	9.4
224.08351	6.5
225.05563	3.5
225.09111	13.3
225.73340	2.0
226.06148	2.3
227.07002	5.4
227.10655	3.2
233.06081	2.9
234.06830	8.4
235.07574	11.5
236.04716	3.0
236.08192	3.2
237.05507	20.9
237.09058	3.1
238.06264	23.8
239.06985	8.5
239.10698	4.2
240.04185	13.0
240.07947	4.2
241.04871	3.7
241.08514	3.4
242.09241	3.8
249.05498	6.7
249.09348	3.5
250.06313	7.5
251.07039	27.2
252.07722	24.4
253.05034	5.8
253.08586	35.9
254.05757	9.5
254.09222	2.9
255.06522	12.8
255.10251	2.7
256.07242	5.3
257.04404	4.4
262.06171	2.8
263.07037	7.7
264.07773	7.2
265.05096	10.7
265.08585	7.7
266.05789	20.1
267.03830	3.3
267.06506	20.5
267.10138	9.1
268.03787	2.8
268.07214	8.3
269.04630	2.9
269.08035	11.6
270.05289	3.2
270.08813	6.8
271.05972	4.0
271.09543	5.4
277.08517	3.3
279.06613	18.1
280.07272	24.3
281.08075	100.0
282.05249	5.0
282.08731	22.5
283.06021	21.3
283.09610	10.9
284.06613	6.0
285.07703	4.0
285.11346	3.3
286.04691	9.9
293.07959	5.3
294.08926	3.5
295.05966	9.6
295.09659	25.2
296.06729	9.7
296.10080	4.0
297.07568	17.2
297.11200	11.0
298.08279	24.3
299.05484	9.5
299.08838	4.6
300.06290	5.3
301.07153	22.8
302.07797	2.6
309.07608	12.7
310.08218	7.9
311.05878	3.0
311.09113	79.3
312.09695	17.4
313.07065	16.3
313.10611	84.8
314.07907	5.0
314.11005	6.6
315.08475	10.4
323.09158	17.4
324.09564	3.2
325.07236	3.5
325.10645	14.0
326.07849	3.9
327.08646	8.4
327.12286	6.5
328.09433	46.3
329.09964	5.3
335.09067	6.4
337.10504	3.8
338.07813	3.4
339.12378	2.8
341.10220	30.2
342.10965	10.8
343.07648	3.9
343.11746	62.1
344.12195	6.7
353.10257	18.7
354.10617	5.7
355.07941	5.1
355.11789	24.9
367.11884	22.4
370.10443	5.3
385.12756	32.9
385.25125	3.1
386.13150	3.5
387.71756	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.128
Annotation	Licopyranocoumarin
Peak:m/z	Relative Intensity
53.03956	2.8
55.01859	4.0
55.05502	3.1
57.04922	2.7
59.04984	2.6
67.05495	8.5
69.03443	2.4
69.07057	3.2
71.04980	2.2
71.81069	2.1
75.04454	5.3
78.34669	2.6
79.05494	4.2
81.03411	3.9
81.07046	3.4
81.80505	2.5
83.08630	2.5
83.96372	2.1
83.98785	2.3
89.13457	2.5
91.05454	4.2
92.94392	2.4
93.06957	3.0
93.50688	2.6
93.92078	2.0
95.04945	4.8
95.08616	5.1
98.23439	5.5
105.07047	3.4
109.06538	3.1
115.05495	3.5
119.08569	3.3
123.04443	2.8
128.06245	3.0
129.07002	3.2
133.10045	3.5
135.08081	2.3
139.03914	3.0
141.05453	2.9
141.06979	6.5
145.06503	2.2
145.10156	3.7
151.60751	2.6
152.06229	5.3
153.06946	5.4
154.07704	3.5
155.08507	3.5
157.06477	3.5
157.10085	3.0
159.04404	3.6
161.05991	4.1
165.05742	2.6
165.06923	12.7
166.07726	4.1
167.07076	3.5
167.08530	5.8
168.05679	2.7
169.06509	3.4
173.05927	5.1
175.03970	2.5
178.07819	10.3
179.08614	11.4
180.05675	4.9
181.06465	8.1
182.07272	8.9
183.08081	5.8
185.05980	5.6
189.06993	7.1
191.08539	4.6
192.05705	3.1
193.06517	5.3
193.10139	2.9
194.07211	5.7
195.08113	12.7
196.05162	3.9
196.08832	4.9
197.05991	6.3
198.06772	3.7
199.03891	9.0
199.07484	4.7
200.04666	4.5
205.06436	7.9
206.07275	7.9
207.07947	13.8
208.05331	3.3
209.05971	9.1
209.09566	5.9
210.06662	13.1
211.03764	3.5
211.07484	8.0
212.04646	8.3
212.08260	3.0
213.05484	10.1
213.09073	4.6
215.03278	4.1
215.07062	7.3
217.04962	6.0
218.07349	3.6
219.08032	5.4
220.05092	3.1
221.05963	15.6
221.09552	5.1
222.06677	7.1
223.07516	14.7
224.04868	2.7
224.08304	8.9
225.05452	8.9
225.09068	16.7
226.06146	11.7
226.09825	3.5
227.03465	3.6
227.07033	18.7
228.04134	6.9
228.07774	2.8
229.05081	6.1
234.06721	11.2
235.07527	24.7
236.08163	5.4
237.05455	23.5
237.09106	8.6
238.06259	27.4
239.03326	5.8
239.07014	24.3
239.10541	4.6
240.04149	13.4
240.07660	6.6
241.04878	6.7
241.08473	4.5
242.05675	7.4
242.09233	3.2
243.06511	29.2
247.07594	4.5
249.05420	18.4
249.09105	7.8
250.06227	11.1
250.10072	2.7
251.03325	3.0
251.04448	3.6
251.06992	34.9
252.04114	3.9
252.07819	24.6
253.05058	11.4
253.08575	44.8
254.05728	11.9
254.08978	6.4
255.06490	17.8
255.10083	3.5
256.07202	7.6
257.04306	3.5
257.08218	11.6
262.06232	4.9
263.07004	26.1
264.04059	3.9
264.07770	13.7
265.04993	12.9
265.08572	24.0
266.05710	19.6
266.09219	6.6
267.06525	22.7
267.10126	12.1
268.03702	4.2
268.07266	15.9
269.08093	33.8
269.10864	4.4
270.05295	6.8
270.08716	9.1
271.05963	5.8
275.07013	5.8
276.07828	4.6
277.05096	6.5
277.08582	16.2
278.05685	7.2
278.09192	3.4
279.06573	30.3
279.09631	3.0
280.07275	28.0
281.04825	4.4
281.08081	100.0
282.05386	6.0
282.08722	21.0
283.06546	19.1
283.09607	18.4
284.06757	4.1
285.07547	7.2
285.11185	6.3
286.04733	6.0
287.09024	3.2
289.58539	2.8
291.06500	10.8
292.07291	19.1
293.08023	32.7
294.05368	5.9
294.08923	14.7
295.06003	17.1
295.09637	27.1
296.06689	8.4
296.10300	7.5
297.07584	18.3
297.11212	13.6
298.08279	19.9
299.05496	8.4
299.08868	4.5
300.06177	3.7
301.07117	22.5
302.07858	3.4
303.06570	4.3
305.04495	3.0
305.08044	5.7
306.08606	4.0
307.06284	4.0
307.09363	16.5
308.06772	6.6
308.10345	7.6
309.07501	18.2
309.11172	8.2
310.08286	10.4
311.05878	3.8
311.09109	90.3
311.12714	4.3
312.06390	4.5
312.09683	20.5
313.07040	26.1
313.10675	71.0
314.07654	8.5
314.10944	5.1
315.08777	13.1
315.11942	3.9
320.06793	5.4
321.07544	8.1
322.08365	5.5
323.09113	26.2
324.06284	3.2
324.09842	9.9
325.07162	5.2
325.10724	40.8
326.11191	6.0
327.08612	14.2
327.12326	6.8
328.09366	47.0
329.10037	5.9
329.13733	3.1
335.09085	15.9
336.09741	5.9
337.07217	4.4
337.10825	9.0
338.07819	4.9
339.12158	3.7
340.09497	3.5
341.10120	20.7
342.10867	7.2
343.11777	82.3
344.12085	5.1
352.09235	5.7
353.05811	3.2
353.10126	44.3
353.14099	3.3
354.10651	7.8
355.08014	5.0
355.11737	24.2
356.11938	2.7
357.13220	4.0
367.11801	41.5
367.22690	3.1
368.12167	5.0
370.10379	7.2
385.12769	86.5
385.16583	3.2
385.23676	2.8
386.13089	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1279
Annotation	Licopyranocoumarin
Peak:m/z	Relative Intensity
55.01873	2.7
55.05502	3.7
57.03419	2.9
61.21594	2.4
67.05534	2.4
69.07060	3.2
69.76411	2.3
71.11969	2.2
74.33058	2.5
81.07080	2.9
91.05495	8.6
93.07027	4.9
95.08585	4.2
99.04454	41.5
100.28068	2.3
105.07039	2.8
107.04913	2.5
109.06500	3.2
109.10152	2.8
110.39501	2.4
113.76105	2.2
119.04923	6.9
119.08608	6.7
121.06501	3.2
127.03946	14.6
129.07068	3.4
132.05679	17.2
133.06538	2.8
141.07053	3.2
145.10080	3.4
147.07999	5.8
149.05933	3.6
165.06937	3.4
167.08672	3.2
174.18645	2.5
178.07845	2.9
179.08467	2.6
179.10718	4.7
181.06541	5.1
183.07993	4.2
195.08086	5.0
197.06036	4.0
199.07524	3.6
201.05447	3.2
205.06570	3.7
207.08244	2.6
207.10158	38.0
208.05251	4.0
209.06004	4.3
209.09518	3.8
210.06808	2.7
211.04025	3.9
211.07590	7.7
212.04512	2.6
212.08197	5.6
215.07062	3.3
217.04982	3.7
219.07986	3.6
221.05939	5.8
222.06802	6.0
223.07520	13.8
224.08412	3.5
225.05478	4.9
225.09084	5.9
227.07001	5.4
235.07484	8.9
236.04630	4.8
236.08273	4.5
237.05450	9.6
237.09100	8.1
238.06253	5.2
238.09836	4.1
239.03328	7.7
239.06944	12.8
240.04172	5.5
240.07822	8.7
241.04921	5.9
241.08780	5.5
242.05783	3.6
242.09438	4.7
249.05577	3.8
249.09102	3.5
250.06235	11.1
251.07016	27.3
252.07738	6.0
253.05049	19.5
253.08580	9.8
254.05820	10.2
254.09358	3.2
255.06569	8.9
255.10262	7.1
257.08029	4.7
262.06097	3.8
263.06995	9.8
264.07764	5.6
265.05215	5.1
265.08640	17.5
266.05862	6.4
266.09290	8.4
267.06607	13.7
267.10236	7.8
268.04260	3.8
268.07303	28.1
269.04550	6.5
269.07980	8.0
269.11676	3.5
270.05112	5.2
271.06015	3.2
276.07910	7.5
277.08621	5.4
278.05746	4.5
278.09283	5.2
279.06555	25.0
279.09921	5.6
280.07291	11.3
281.04504	12.3
281.08078	30.0
282.05243	15.6
282.08807	10.1
283.05988	11.2
283.09601	17.9
284.06671	4.2
285.07846	6.1
285.11066	4.3
286.04764	6.9
291.06418	3.1
292.07278	4.9
293.08142	18.2
294.08853	18.0
295.06073	6.3
295.09616	11.4
296.06818	20.3
296.09991	4.3
297.07516	12.7
297.11206	11.4
298.08279	4.7
299.05515	17.2
299.08887	5.5
301.07111	5.9
307.06305	3.3
307.09573	4.6
309.07568	8.1
309.11288	14.2
310.08365	19.1
311.09125	100.0
311.12689	6.8
312.06558	3.9
312.09683	18.9
313.06998	26.6
313.10721	13.7
314.07864	24.6
315.08551	8.4
321.07608	11.1
321.11087	4.0
322.08505	5.4
323.09103	10.4
324.09796	4.1
325.07031	11.2
325.10727	39.8
327.08585	13.3
327.12335	6.5
328.09384	36.6
329.09814	4.6
335.09290	4.2
336.09991	15.6
337.07016	5.6
337.10632	17.5
338.07813	3.6
339.08655	4.9
339.12326	4.4
341.10159	44.8
342.10773	10.1
343.11737	68.8
344.12067	4.5
352.09555	6.2
353.10126	10.4
353.14078	4.3
354.10907	15.9
355.11731	29.4
357.13290	8.6
367.11774	67.1
368.12180	5.9
370.10471	5.9
385.12598	58.3
385.16611	9.3
385.23318	2.8
386.13071	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1281
Annotation	Licopyranocoumarin
Peak:m/z	Relative Intensity
55.01596	2.0
67.89887	1.6
71.32402	2.1
83.04971	2.2
105.06995	2.0
124.68075	1.7
134.78075	1.7
138.24724	1.9
151.07547	4.7
153.06979	1.9
165.05571	3.7
165.07016	4.7
165.09048	3.2
179.08577	3.6
181.06676	1.8
181.08560	3.4
182.07280	3.2
185.09576	1.9
193.06586	3.6
194.07248	2.4
195.08180	2.9
195.10168	7.5
196.08881	2.3
197.06024	2.6
197.09660	3.1
198.06708	2.5
199.07475	2.3
202.09897	4.6
205.06400	2.3
207.08038	2.0
209.06084	3.5
209.09521	2.5
210.06793	5.6
211.07445	4.5
212.08119	2.1
213.09149	3.9
217.12228	6.6
221.05969	5.7
222.06812	2.9
223.03920	1.9
223.07605	4.9
224.04581	2.5
224.08369	4.4
225.05415	5.2
225.09109	14.7
226.06328	4.6
227.07018	6.4
228.07739	2.4
234.06706	2.3
235.07619	11.9
236.04370	2.0
236.08205	3.7
237.05458	5.3
237.09096	6.0
238.06262	10.4
239.07079	11.4
239.10632	2.9
240.04204	3.3
240.07741	2.6
241.04939	4.6
241.08496	2.9
243.06393	2.3
249.05356	3.0
249.09091	4.3
250.06183	4.7
250.09796	1.9
251.07007	16.8
251.10773	2.2
252.07826	4.7
253.04855	6.1
253.08601	32.5
254.05708	5.4
254.08928	3.1
255.06647	8.8
256.07343	4.7
257.04489	3.2
257.08054	3.1
263.07050	8.1
263.10550	2.7
264.08011	2.9
265.04938	3.7
265.08594	11.1
266.05847	11.0
266.08511	2.1
267.06537	10.5
267.10077	8.2
268.03915	3.1
268.07294	11.3
269.04938	1.8
269.08069	9.4
270.05377	2.6
270.08801	4.7
271.05991	5.1
271.09808	2.4
277.08530	3.6
279.06473	10.2
279.09915	4.2
280.07330	8.5
281.04932	2.9
281.08051	66.9
282.05365	4.3
282.08728	11.4
283.06039	9.1
283.09637	17.1
284.06674	3.3
284.10001	2.8
285.04086	3.0
285.07642	7.0
285.11124	3.6
286.04764	4.1
291.10120	2.0
293.08246	11.0
293.11234	2.7
294.08749	2.7
295.06015	5.8
295.09616	11.2
295.13052	4.5
296.06696	8.6
296.10309	5.5
297.07547	21.2
297.11166	10.2
298.08246	6.2
299.05527	12.8
299.09094	6.6
299.12497	2.6
300.06168	4.5
301.06952	13.2
302.07791	4.4
307.09738	5.3
308.10315	4.3
309.07562	8.1
309.11285	5.1
310.08286	7.0
311.09116	100.0
311.12338	3.4
312.09735	12.7
312.12958	2.8
313.07019	17.8
313.10699	17.7
314.07697	10.3
315.08557	14.4
316.09415	8.4
321.07733	4.3
321.10962	2.6
323.09091	6.7
323.12680	4.3
324.09851	4.4
325.07202	3.2
325.10678	15.9
325.14221	3.3
326.07617	2.6
326.11337	4.8
327.08545	14.2
327.12320	7.1
327.15851	2.1
328.09439	27.8
329.10071	8.4
337.07086	6.6
337.10696	3.4
338.07663	3.6
339.11972	9.0
340.13138	3.8
341.10291	9.9
342.10992	7.5
343.11746	93.4
344.12152	6.3
353.09940	12.5
353.13687	10.3
354.14499	4.2
355.11609	6.5
355.15421	10.5
357.13525	9.3
367.11752	33.7
370.14420	2.3
371.14944	8.8
373.24564	2.4
385.12384	28.8
385.17355	14.0
386.12802	2.4
386.17194	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1281
Annotation	Gancaonin D
Peak:m/z	Relative Intensity
55.01868	5.7
55.05519	11.8
57.03418	2.5
66.13304	2.1
67.05492	10.2
69.03406	2.2
69.07063	5.5
70.27644	5.5
71.04970	2.3
79.05491	17.3
81.03415	21.0
81.07057	15.3
83.04952	6.0
83.08609	5.2
91.05478	15.5
93.07026	9.7
95.04955	11.8
95.08605	9.3
97.06518	4.6
97.10176	5.1
99.04451	10.2
105.07059	10.7
107.04948	6.1
107.08569	6.3
109.02844	2.4
109.10138	3.5
111.08065	2.9
115.05453	2.7
117.07001	7.2
119.08580	8.7
121.06525	6.1
121.10139	5.2
123.04409	10.8
125.09625	2.4
126.54222	2.5
127.03894	3.4
129.07004	10.4
131.04898	3.0
131.08559	10.9
131.12286	2.6
131.13326	2.6
133.06456	4.4
133.10168	3.9
137.09546	2.2
141.06966	4.4
141.24016	2.3
143.08540	4.3
145.06485	8.9
145.10149	5.5
147.04411	3.4
147.08032	8.6
147.11693	3.9
149.09656	3.1
153.09100	2.2
155.08473	4.7
157.06500	5.1
157.10083	4.4
159.08066	4.1
161.05969	3.1
161.09546	2.1
165.06992	4.0
167.08557	3.3
169.06432	4.6
171.08072	4.0
173.09639	3.4
175.11227	5.6
179.08612	3.3
181.06453	4.2
182.07228	3.2
183.08029	4.1
185.09547	2.5
189.09093	3.2
193.04926	3.3
193.12245	98.0
194.07242	4.3
194.12563	4.7
195.08035	7.6
195.11656	3.2
197.05952	5.3
197.09528	3.8
198.06743	2.7
199.07500	6.3
199.11273	4.2
203.10585	3.1
205.06523	3.7
206.07181	3.3
207.08115	5.0
207.10048	3.5
209.05986	3.0
209.09639	5.6
210.06738	2.8
211.07545	6.3
212.04675	3.0
212.08379	3.3
213.05400	4.1
213.09203	3.0
214.06126	4.7
215.14134	2.5
219.08063	4.9
221.05936	6.0
221.09695	2.3
222.06747	7.1
223.07523	11.1
223.11179	3.8
224.08208	4.3
225.05460	5.5
225.09077	8.8
226.02660	3.2
226.09802	2.7
227.07024	7.3
229.08498	3.1
232.08844	2.5
233.09604	3.3
234.06821	2.6
235.07463	16.4
236.04573	6.0
236.08182	4.2
237.05453	9.4
237.08995	8.6
238.06172	6.6
238.09848	3.9
239.03355	9.0
239.07101	12.7
239.10600	5.2
240.04001	7.1
240.07721	9.6
241.04796	5.9
241.08568	7.0
242.05638	2.7
243.06396	2.9
247.07504	2.9
248.08270	9.6
249.05504	5.2
249.09003	7.3
250.06213	7.0
250.09839	3.6
251.07048	28.4
251.09601	3.3
251.10562	3.2
252.07831	11.5
253.05011	15.9
253.08481	11.5
254.05707	12.0
254.08887	2.8
255.06505	11.4
255.10098	2.8
255.13719	8.8
256.07306	5.6
256.10715	2.7
257.04257	3.3
257.08139	9.0
257.15302	2.5
261.09039	4.8
263.06976	13.8
263.10434	2.9
264.07675	7.8
265.05011	6.4
265.08554	17.0
266.05728	7.6
266.09329	8.1
267.06662	11.8
267.10107	9.9
268.03799	4.7
268.07260	27.4
268.10391	3.7
269.04346	6.7
269.07965	10.0
269.11838	5.6
270.05060	3.4
270.08670	4.5
271.06018	4.7
273.14841	4.4
276.07724	7.1
277.05154	3.2
277.08652	6.6
278.06064	3.1
278.09332	10.2
279.06473	25.3
279.10062	10.0
280.07175	16.8
280.10092	2.5
281.04434	11.1
281.08017	25.6
281.11264	4.2
282.05173	13.4
282.08688	7.6
283.05978	13.7
283.09229	15.2
284.06818	3.0
284.10239	4.9
285.07550	9.3
285.11148	6.8
286.04620	3.3
287.05435	4.5
291.06464	9.0
291.09869	4.9
292.07269	7.9
293.08041	29.8
293.11707	8.5
294.08847	22.9
295.06003	8.2
295.09549	15.4
296.06738	19.4
296.10352	9.2
297.07483	16.5
297.11121	10.4
298.08087	5.8
299.05524	11.2
299.08627	2.8
300.06378	4.2
301.06973	11.6
302.07767	9.2
305.08066	4.6
306.08701	6.4
307.06143	4.5
307.09332	13.6
308.06723	3.9
308.10034	3.7
309.07455	14.2
309.11166	15.2
310.08365	28.4
310.11682	4.1
311.09113	97.0
311.12671	6.3
312.09872	28.5
313.06964	28.0
313.10608	18.9
314.04285	3.0
314.07764	10.3
315.08548	12.2
317.10156	4.2
319.09668	2.9
321.07437	14.9
321.11179	9.1
322.08282	5.7
322.11795	5.2
323.09100	11.7
324.09869	7.6
325.06989	22.4
325.10666	39.8
325.14380	2.7
326.07404	4.6
326.11145	6.6
327.08542	13.3
327.12143	6.3
328.09381	49.8
329.10004	7.9
335.09015	9.0
336.09921	39.9
337.06937	5.7
337.10583	24.2
338.11337	5.8
339.08450	13.2
339.12271	11.0
339.23224	3.2
340.09048	3.5
341.06116	4.9
341.10196	67.9
342.10657	11.3
343.11786	56.5
349.10803	20.1
349.21512	8.6
352.09354	5.3
353.10056	7.6
353.13812	15.8
354.10907	35.9
354.14706	6.2
355.07846	6.1
355.11707	32.5
357.13226	6.1
357.23969	3.8
367.07376	4.9
367.11774	73.6
367.22748	26.0
368.12143	7.7
370.10104	13.3
370.14398	3.3
371.10654	2.5
385.12689	100.0
385.16660	10.7
385.23669	91.1
386.13034	10.3
386.23734	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1281
Annotation	Licopyranocoumarin
Peak:m/z	Relative Intensity
55.05521	2.8
67.05497	3.5
68.99744	19.2
69.07062	2.3
79.05486	4.4
81.07059	3.7
91.05473	3.1
92.77370	1.8
93.07033	2.8
95.04978	1.8
95.08607	5.5
105.07022	6.3
107.08591	2.8
109.10154	2.8
119.08583	2.5
131.08649	1.9
133.10164	2.9
142.07875	2.1
143.08594	3.1
147.11646	2.6
153.06984	3.0
155.08528	2.5
157.09973	1.9
159.04247	3.0
165.07031	6.2
167.08557	4.2
169.06410	2.1
169.10074	2.3
174.78938	1.7
178.07782	4.4
179.08617	4.7
181.06544	3.1
182.07253	3.9
184.05234	2.0
189.12694	1.8
193.06630	3.7
194.07133	2.4
195.08018	5.6
196.08846	2.3
197.06097	3.6
197.09637	2.4
199.07605	2.4
200.63089	1.7
206.07088	2.3
207.08099	3.7
208.08794	2.5
209.06029	5.0
210.06764	9.0
211.07491	6.5
212.08316	3.2
219.08128	2.6
221.05925	8.9
222.06731	4.7
223.07487	6.8
224.08377	5.7
225.05554	3.3
225.09090	17.0
226.06197	5.8
227.07001	5.5
227.10609	2.2
234.06819	3.9
235.07527	10.9
236.08163	3.0
237.05414	15.5
237.09137	4.0
238.06207	17.4
239.06953	10.9
239.10751	2.3
240.04189	9.1
240.07913	3.6
241.04845	2.8
241.08670	2.8
241.12430	1.8
242.05873	3.6
242.09340	3.8
249.05551	5.4
249.09131	2.6
250.06158	4.0
251.06998	21.1
252.07765	18.1
253.04944	5.5
253.08591	35.8
254.05783	8.8
254.09326	3.1
255.06412	9.6
255.10095	6.7
256.03723	1.9
256.07214	4.5
257.04181	2.2
257.08066	4.0
259.94406	2.2
262.06192	3.1
263.07123	9.1
264.07834	4.2
265.05029	10.7
265.08600	6.8
266.05795	14.0
267.06519	18.4
267.10123	6.3
268.03665	4.5
268.07303	10.0
269.08078	6.8
270.05307	3.9
270.08853	5.7
271.06110	2.9
271.09698	3.8
277.04892	2.0
277.08563	3.3
279.06546	13.8
279.09238	1.9
280.07236	17.5
281.04663	4.4
281.08063	99.7
282.05197	6.8
282.08627	15.8
283.06021	17.4
283.09641	14.7
284.06781	3.7
285.07556	8.1
285.10999	3.8
286.04785	9.3
291.06744	3.3
292.07227	2.2
293.04828	2.2
293.08069	6.6
294.08759	3.1
295.05994	11.3
295.09659	17.1
296.06717	6.7
296.09964	2.9
297.07532	15.5
297.11139	7.7
298.08316	19.0
299.05478	10.6
299.08957	5.5
300.06250	4.9
301.07053	19.4
302.07761	3.2
307.09662	3.9
308.06659	2.1
309.07742	12.7
309.11035	3.7
310.08386	9.3
311.09113	100.0
312.06351	3.3
312.09760	17.3
313.07040	25.5
313.10684	53.1
314.07776	8.7
314.10834	3.2
315.08502	11.5
321.07709	2.2
323.05582	3.0
323.09012	13.0
324.09744	3.4
325.07098	4.5
325.10715	19.5
326.07825	3.1
326.11429	3.5
327.08643	15.6
327.12292	4.8
328.09396	59.9
329.10199	4.1
335.09140	5.7
336.09995	4.5
337.07141	3.4
337.10822	6.5
338.07803	3.6
339.12024	2.6
341.10165	19.0
342.10971	9.0
343.11743	84.7
344.12091	7.0
352.09378	3.2
353.06409	3.7
353.10184	19.4
354.10831	3.6
355.07983	5.6
355.11743	25.1
356.12497	2.2
357.13226	3.3
367.11743	34.5
368.11978	2.9
370.10593	9.3
371.75806	1.9
385.12750	48.3
385.16940	2.3
386.12906	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1282
Annotation	Licopyranocoumarin
Peak:m/z	Relative Intensity
51.01486	2.4
55.01863	2.1
58.01988	1.9
59.05034	2.1
65.80738	2.4
69.17596	14.7
75.04478	3.3
79.05498	2.8
85.16338	2.1
91.05495	7.0
93.07094	3.8
99.04460	44.9
103.05486	2.4
105.07014	3.3
109.06478	2.6
115.05430	3.8
119.04911	10.3
119.08588	5.3
121.06497	2.9
127.03915	21.8
132.05716	18.2
136.82259	2.5
145.06462	4.5
147.08061	9.1
149.05956	2.7
152.06297	2.1
153.06924	2.0
158.53564	2.6
165.07013	6.9
167.08522	3.0
175.07558	4.1
177.05495	3.3
178.06236	2.3
178.07756	2.9
179.08583	4.2
179.10670	6.5
183.06618	2.1
183.08113	3.4
185.06102	3.0
192.07825	2.5
193.06499	4.3
193.08636	3.2
194.07278	4.1
195.08101	7.5
195.09967	2.3
196.08789	2.1
197.06087	5.3
197.09627	3.4
199.07552	4.8
203.08670	2.0
205.06619	4.5
207.08270	3.8
207.10152	49.1
207.11963	4.0
208.04999	2.8
208.08784	3.1
208.10622	3.5
209.06075	5.0
209.09508	3.4
210.06717	4.9
211.07532	6.9
212.08252	2.7
213.05592	3.0
213.09084	2.7
215.07172	2.5
219.08020	3.2
220.05280	2.5
221.06041	9.1
222.06718	6.2
223.07651	11.4
224.08331	7.2
225.05476	5.5
225.09167	11.3
225.11122	3.1
226.06264	6.1
227.07040	7.9
228.04175	3.1
233.05835	2.6
234.06775	4.1
235.07552	12.3
236.04700	4.2
236.08360	6.8
237.05525	13.0
237.09174	8.2
238.06134	11.7
238.09789	4.3
239.03450	9.6
239.07089	11.1
240.04149	8.8
240.07788	6.9
241.04967	7.3
241.08763	5.2
242.09363	3.1
243.02802	3.0
243.06618	6.0
247.07477	4.2
248.04503	2.4
248.08260	3.6
249.05513	5.3
249.09145	5.0
250.06300	11.2
250.09686	2.1
251.07028	25.8
252.07925	10.3
253.04953	14.9
253.08685	17.4
254.05760	10.1
254.09236	5.3
255.06496	7.3
255.10126	4.4
256.07196	3.7
257.04352	2.6
257.08142	7.0
263.07019	8.5
264.07742	8.8
265.05014	3.9
265.08649	20.3
266.05716	8.0
266.09329	6.6
267.06564	19.1
267.10129	6.4
268.03790	5.2
268.07333	19.6
269.04395	6.4
269.08038	8.6
269.11490	5.1
270.05139	4.1
270.08887	7.0
271.09702	4.4
275.82385	2.3
276.07840	6.6
277.08408	4.3
278.05798	4.4
279.06531	19.1
279.09909	4.8
280.07211	13.7
281.04492	11.7
281.08105	33.3
282.05243	15.2
282.08826	13.2
283.06076	10.2
283.09695	16.9
285.07651	8.4
285.11084	4.4
286.04724	2.5
291.06573	3.8
292.07538	2.7
293.08002	16.3
294.05725	2.5
294.08719	11.3
295.06058	11.6
295.09653	12.4
296.06921	20.5
296.10120	4.8
297.07614	15.0
297.11270	18.5
298.08383	7.5
298.11557	2.8
299.05524	19.2
299.08884	5.1
301.07141	8.4
307.09775	6.8
309.07513	12.0
309.11246	11.3
310.08405	14.4
310.11539	3.1
311.09134	100.0
312.09747	20.7
313.07034	25.3
313.10730	24.4
314.07825	29.8
314.11078	3.4
315.08615	8.8
315.12100	3.3
321.07504	10.4
322.08252	7.7
323.05609	3.4
323.09207	8.1
324.09531	4.2
325.06995	7.2
325.10617	43.7
326.07767	2.7
326.11188	6.0
327.08688	11.9
327.12210	5.5
328.09436	42.0
329.09915	4.4
335.09247	5.5
336.09766	10.5
337.07028	4.8
337.10745	14.3
338.07758	4.1
339.08853	4.1
339.12332	5.6
341.10245	49.2
342.10953	10.3
343.11746	70.1
344.12039	6.7
349.10666	2.9
352.09576	5.0
353.10205	18.4
354.10907	13.7
355.08124	3.2
355.11774	18.9
357.13376	12.2
367.11755	68.1
367.16354	3.3
368.12161	5.7
370.10394	5.5
384.31015	3.5
385.12622	56.5
385.16553	7.7
385.23492	4.3
386.13071	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50565	2.5
69.32732	16.6
74.15693	2.4
81.07040	2.5
95.12866	2.6
100.63194	2.6
133.01804	2.4
141.06999	3.2
150.36357	2.7
152.06258	5.5
153.06952	3.1
154.13591	2.9
157.10181	3.6
165.06900	6.3
167.08553	4.9
179.08595	3.1
181.06482	6.4
183.07901	4.0
193.06480	7.4
194.07283	2.8
195.08075	8.3
196.08945	3.6
197.05983	5.4
197.09526	3.1
207.07950	4.8
209.05951	8.8
210.06779	9.3
211.07588	8.8
213.05479	4.9
213.09071	4.6
221.06001	11.0
222.06686	6.1
223.07529	14.9
224.04817	3.0
224.08345	8.3
225.05431	7.6
225.09047	13.3
226.06285	4.5
227.07002	10.1
234.06761	10.7
235.07582	12.2
236.08229	6.2
236.34927	2.6
237.05431	31.0
237.09132	3.2
238.06230	27.6
239.06941	14.7
240.04156	12.8
240.07742	4.4
241.04800	3.9
241.08614	3.4
242.09352	4.9
243.02899	3.7
249.05478	6.6
249.09081	3.6
250.06152	10.1
251.07014	30.3
252.07791	26.4
253.05006	9.3
253.08578	41.5
254.05809	8.9
254.09129	6.0
255.06450	14.3
255.10040	5.4
256.07162	5.6
257.04474	3.9
257.08218	3.0
262.06409	3.6
263.07144	9.0
264.07733	5.7
265.04968	10.4
265.08606	9.4
266.05786	19.3
266.08978	2.8
267.06503	24.3
267.10144	9.9
268.03882	3.5
268.07312	11.1
269.08127	13.3
270.05099	3.3
270.08820	5.5
279.06564	28.8
280.07285	29.8
281.05084	3.7
281.08072	100.0
282.05450	6.6
282.08804	20.2
283.06064	18.5
283.09610	12.8
284.06677	4.4
284.10025	4.4
285.07764	6.0
285.11011	6.1
286.04608	13.8
291.06531	3.6
292.07138	4.1
293.07974	13.2
294.08807	4.8
295.06061	11.4
295.09650	24.2
296.06754	7.7
296.10056	4.4
297.07581	22.0
297.11142	8.0
298.08401	32.8
299.05405	6.9
299.08792	4.7
300.06116	4.7
301.07022	23.7
302.07584	4.7
307.09671	6.6
309.07581	18.6
310.08322	11.1
311.05695	4.7
311.09106	76.3
312.09787	21.9
313.07092	16.1
313.10645	99.8
314.07687	6.3
314.11017	7.9
315.08606	13.2
321.07565	8.7
321.10986	3.0
323.09085	14.0
324.09924	5.1
325.10748	14.0
326.07657	3.8
326.11279	3.6
327.08612	12.6
327.12051	5.2
328.09399	59.9
329.09863	6.3
335.09180	6.9
336.09955	3.7
337.07016	5.7
337.10666	5.5
338.07861	3.6
339.12207	9.9
341.10184	34.8
342.10757	11.5
343.11746	66.0
344.12115	7.6
353.10132	20.6
353.13800	3.6
355.07916	6.7
355.11737	28.5
367.11771	17.4
370.10626	8.0
385.12463	32.4
385.16614	8.3
385.25345	5.0
386.17065	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32808	2.3
52.21346	2.4
53.81235	2.5
60.48223	2.2
69.55862	7.4
69.56258	4.0
83.85477	2.6
98.23375	4.5
128.06271	2.7
131.61484	2.1
141.07002	3.6
153.07010	4.1
155.08632	2.6
165.07048	10.1
167.08633	3.7
169.06526	4.1
178.07721	2.9
179.08545	5.9
181.06523	7.5
182.07260	6.0
183.04347	3.1
183.08023	4.5
193.06487	4.0
194.07266	4.8
195.08099	8.7
196.08766	4.0
197.05948	9.3
197.09697	2.6
198.06841	3.6
200.04721	2.4
203.08531	3.1
205.06482	5.0
206.07201	2.6
207.08049	9.7
208.05177	4.8
208.08838	3.1
209.06055	9.4
209.09676	5.9
210.06683	16.6
211.07483	14.5
212.04729	3.1
212.08354	4.5
213.05417	4.0
213.08928	3.4
214.06216	2.8
214.39665	2.8
215.07022	3.4
219.08110	4.6
220.08774	5.0
221.06094	8.0
221.09669	3.0
222.06758	7.5
223.03993	3.1
223.07532	12.1
224.04634	4.6
224.08330	8.9
225.05499	8.1
225.09061	20.9
226.06279	7.0
227.06914	11.3
228.04124	3.1
229.05069	5.8
233.09521	6.0
234.06821	11.6
235.07516	16.0
235.11151	6.3
236.04726	3.8
236.08279	5.8
237.05510	22.1
237.09111	9.6
238.06258	27.4
238.09862	3.1
239.06946	20.3
239.10681	6.9
240.04221	10.6
240.07742	8.4
241.04918	11.9
241.08620	7.0
242.05672	7.7
242.09326	3.2
243.03040	4.0
243.06622	7.4
247.07632	6.4
248.08354	8.6
249.05661	6.5
249.08978	17.1
250.06255	7.9
251.07057	27.9
251.10735	7.6
252.04170	3.2
252.05397	3.1
252.07762	24.5
253.05070	6.8
253.08577	44.4
254.05780	12.9
254.08788	4.7
255.06506	21.4
255.10188	6.0
256.07275	7.1
257.04547	8.1
257.07883	5.4
262.09799	4.3
263.07208	12.3
263.10529	13.7
264.07852	8.5
264.11517	2.8
265.05139	13.0
265.08578	22.6
265.12201	5.0
266.05765	15.6
266.09207	8.3
267.06543	32.5
267.10190	16.1
267.13828	5.4
268.03775	4.9
268.07257	11.0
269.04480	6.7
269.08072	15.9
269.29413	3.0
270.05249	4.4
270.08871	7.2
271.06036	10.8
271.09647	5.7
276.07901	3.3
277.08640	13.6
278.09409	8.0
279.06503	19.6
279.09790	21.6
280.07318	19.9
280.10944	10.8
281.04861	4.5
281.08090	96.0
281.11530	7.1
282.05554	4.0
282.08740	20.7
283.06049	31.2
283.09607	15.8
284.06735	10.3
284.10269	3.0
285.07635	18.4
285.11203	6.5
286.04742	17.0
286.08020	4.6
287.05490	9.2
289.08563	2.8
291.06680	4.5
291.10202	10.6
292.07254	4.0
292.10931	5.7
293.08090	13.6
293.11703	11.9
294.08896	7.9
294.12549	8.0
295.06213	6.5
295.09692	26.3
295.13309	25.1
296.06821	9.2
296.10336	7.4
297.07599	27.4
297.11209	15.9
298.05161	4.4
298.08340	34.8
299.05447	7.7
299.09015	9.5
299.12454	2.9
300.06204	7.0
300.09573	3.7
301.07077	33.6
302.07867	31.9
305.08206	4.6
306.08606	3.5
307.09769	12.2
308.07138	2.7
308.10391	11.3
309.07541	12.5
309.11255	12.3
309.14447	2.8
310.08356	10.5
310.11893	7.7
311.09143	72.1
311.12390	4.4
312.09744	23.9
313.07083	10.7
313.10623	100.0
314.07764	8.5
314.11185	9.6
315.08560	21.8
316.09412	34.1
317.10168	8.4
320.10153	3.2
321.11343	13.0
322.12067	10.2
323.09109	19.4
323.12830	35.5
324.09821	9.0
324.13513	8.4
325.10727	18.2
325.14362	6.9
326.11237	3.3
327.08841	13.8
327.12228	6.3
327.15723	16.1
328.09369	42.8
328.12979	3.9
329.10083	12.7
335.09122	5.9
337.10739	7.1
338.07867	4.7
338.11566	8.4
339.12234	27.2
340.12897	4.5
341.10205	29.8
342.10834	12.2
343.11768	72.6
344.12213	5.1
353.10080	12.3
353.13852	76.9
354.10452	6.0
354.14548	61.0
355.08078	4.6
355.11649	24.2
355.15421	83.7
356.12137	4.1
356.15820	10.6
367.11841	13.3
370.10257	4.5
370.14252	4.6
385.12582	25.6
385.16516	94.8
386.17065	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	0.5
70.76147	1.0
71.93202	0.5
74.59499	0.5
81.06991	0.4
86.16153	0.4
93.07050	0.7
107.04954	0.6
108.13796	0.4
109.06499	0.5
117.06988	0.5
126.25038	0.5
167.07059	0.8
185.04211	2.8
223.09409	100.0
224.09773	5.0
259.10199	0.5
281.07758	0.5
293.11694	1.0
321.11130	1.3
323.09106	0.5
353.13773	1.7
380.64059	0.5
385.14603	43.1
386.14990	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03888	0.8
51.34863	1.2
51.91959	0.9
52.76561	1.1
53.03950	1.1
55.01842	1.3
61.26405	1.0
61.36739	0.9
61.44582	0.9
68.57868	1.0
69.09270	5.4
69.09670	1.8
71.08624	1.7
75.27533	1.0
79.05486	4.2
81.07074	2.2
83.04949	1.2
88.89618	0.8
91.05486	4.1
93.07022	2.1
94.04180	1.0
95.04957	1.6
95.08588	1.8
98.23354	2.0
105.07034	2.9
107.04964	2.6
107.08662	1.0
109.06540	2.3
115.05428	1.2
117.07011	0.9
118.38667	0.9
119.08636	1.9
121.06510	1.1
122.03659	2.8
124.05153	1.2
128.06219	2.6
129.05495	1.1
129.07001	3.4
131.08557	2.2
133.06451	1.0
135.04428	2.3
136.05188	1.9
137.05986	2.7
141.06969	1.6
144.05663	1.4
145.06477	7.4
147.08052	1.0
151.07533	14.6
152.07925	1.1
155.07056	2.1
157.06471	3.6
158.07259	3.7
159.04320	1.3
159.07980	6.6
160.08827	8.5
161.05930	3.6
162.06787	2.7
163.07527	4.4
165.05464	50.4
165.06586	2.1
165.09102	6.1
166.05844	1.1
167.07182	1.2
171.04428	1.1
171.92836	1.0
172.08839	6.1
173.06007	4.3
173.09605	1.8
175.07553	6.6
176.08301	3.6
177.09146	3.7
181.06462	1.0
185.05957	1.2
186.06732	2.4
187.07599	2.4
188.08310	20.2
189.05455	4.5
189.09064	3.4
191.10660	14.5
191.12263	1.5
193.10051	1.1
195.08134	2.1
196.16466	1.2
201.09056	4.6
202.09760	1.5
203.08778	1.2
203.10645	23.6
204.07797	9.2
204.10936	1.2
205.06601	1.4
205.08511	2.5
207.08017	1.0
209.07809	1.4
210.06876	1.3
211.07593	1.2
214.06262	1.4
217.04922	1.7
218.07266	1.4
219.08044	2.4
219.10143	28.2
220.10455	1.6
221.06071	1.9
223.07530	1.2
224.08173	1.2
225.09181	2.1
227.07098	1.3
229.08638	6.3
232.07198	4.7
233.09598	1.8
234.06737	1.8
235.07500	3.8
237.05424	3.0
237.09106	2.1
238.06235	2.8
238.09743	1.1
239.06909	2.6
240.04211	2.2
247.09641	100.0
248.07773	1.2
248.10220	7.0
249.09074	2.6
250.09909	3.5
251.07080	5.0
251.10512	1.2
252.07774	3.3
253.08501	6.7
254.05730	1.8
255.06494	2.1
260.55286	1.1
261.09009	2.3
262.09845	1.7
263.06992	1.7
263.10684	2.0
264.11383	1.8
265.04767	1.4
265.08591	1.7
265.12268	2.5
266.05838	2.8
266.09348	3.2
266.12558	1.1
267.06522	3.6
267.09918	1.3
268.07245	2.1
269.08057	1.7
271.06250	1.2
275.10626	1.2
276.11304	1.2
277.08578	2.4
277.11996	2.1
278.09299	2.5
279.06696	2.1
280.07288	3.2
280.10437	1.1
281.08090	16.8
281.11661	8.7
282.08710	3.2
283.06244	2.3
283.09534	2.8
285.11157	1.4
293.08530	1.7
293.11667	10.1
294.08630	2.4
295.06216	2.0
295.09677	4.1
295.13235	6.0
296.06796	1.6
297.07492	1.5
297.10983	1.4
298.08304	2.9
299.05499	1.4
299.08832	1.4
301.07166	2.6
306.12488	4.6
307.09775	1.5
308.14026	7.8
309.07776	1.9
309.11169	11.5
309.14502	2.2
310.08469	2.0
310.11923	2.0
310.15616	1.9
311.09128	17.3
311.12698	1.4
312.09698	4.5
312.13556	3.3
313.07056	2.9
313.10687	10.1
314.07767	2.0
315.08319	1.5
323.09119	3.7
324.13541	9.8
325.10687	2.5
325.14279	3.0
326.11404	1.3
327.08588	1.9
328.09335	9.3
328.12943	1.9
337.10632	1.6
339.15887	88.7
340.16278	9.4
341.10205	2.8
341.17407	4.2
342.10864	1.2
343.11691	14.5
344.12323	1.6
353.10138	4.0
355.11780	3.9
357.16962	8.1
367.11728	4.2
367.15689	1.9
385.12677	3.8
385.16583	30.4
386.16855	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1644
Annotation	Urinatetralin
Peak:m/z	Relative Intensity
56.81612	0.7
63.16093	0.7
69.07058	2.8
76.00108	0.6
98.22596	1.2
131.08575	0.9
141.06985	1.2
145.06435	0.7
152.06210	0.8
153.05399	0.8
153.07010	1.6
155.04964	0.8
155.08475	1.2
157.06468	1.0
159.08011	1.9
165.05482	4.2
165.07013	5.6
167.07088	1.4
167.08589	1.5
168.05653	1.3
169.06502	1.7
178.07831	1.1
179.08548	3.1
181.06503	2.4
182.07211	2.0
183.04411	2.4
183.08031	3.7
185.05835	1.2
187.07501	2.5
189.06996	0.7
191.08598	1.7
192.09320	1.9
193.06488	2.9
194.07230	1.4
195.08076	1.9
196.05200	2.2
197.06018	5.0
197.09650	3.7
198.06702	2.6
199.07451	0.9
201.09090	1.2
202.07809	1.3
203.08534	1.5
205.06448	1.1
206.07195	1.2
207.08069	3.0
207.11771	0.8
209.05977	1.9
209.09601	2.0
210.06761	8.1
211.03964	1.2
211.07515	10.9
212.04591	1.4
212.08182	1.6
213.05460	3.8
214.06277	0.7
215.07043	1.8
217.10237	1.0
219.08061	3.0
220.08804	5.6
221.09587	3.4
222.06764	1.3
222.10149	0.7
223.07591	3.7
223.11053	0.8
224.04741	2.5
224.08319	2.2
225.05478	4.4
225.09045	9.8
226.06235	3.8
226.09637	0.8
227.06924	3.8
228.04129	0.8
229.04831	1.0
231.08044	1.5
233.09616	2.4
234.06744	1.6
235.07530	2.7
235.11145	8.1
236.04730	1.2
236.08228	1.3
236.11664	1.1
237.05421	2.1
237.09044	6.2
238.06235	3.4
238.09846	1.9
239.03380	1.0
239.07031	7.3
239.10645	1.2
240.04201	1.6
240.07823	4.9
241.04941	7.9
241.08565	3.6
242.05754	3.8
242.09381	1.1
243.06546	7.1
244.07187	1.0
245.09761	1.1
247.07622	3.4
248.08313	8.1
249.09085	8.0
250.06245	1.7
250.09760	3.0
251.07056	5.1
251.10535	3.1
252.07799	3.8
252.11371	3.6
253.04881	3.1
253.08629	7.3
253.12158	1.6
254.05760	7.8
254.08992	1.8
255.06506	8.4
255.10143	1.9
256.04749	1.0
256.07272	7.8
257.04410	1.9
257.08127	1.2
258.05408	1.8
258.08640	1.0
260.08121	0.8
261.09106	2.8
262.09869	2.6
263.07043	3.0
263.10687	13.1
264.08096	0.9
264.11368	4.6
265.05515	1.3
265.08597	13.9
265.12125	2.8
266.05734	2.8
266.09229	2.4
266.12891	0.9
267.06543	5.0
267.10159	2.7
267.13831	2.2
268.03842	1.2
268.07327	6.3
269.04453	2.9
269.08084	9.5
270.05246	8.2
270.08792	2.0
271.06012	7.2
271.09500	1.7
273.07535	4.3
275.07050	1.3
276.07822	2.3
277.08560	7.6
277.11713	1.2
278.05997	1.3
278.09351	3.5
279.06561	2.6
279.10156	3.9
280.07407	1.7
280.10922	11.3
281.08066	4.7
281.11612	3.4
282.05276	2.6
282.08804	2.5
283.06070	4.6
283.09637	6.5
284.06854	5.5
285.07532	17.0
285.10825	1.3
286.04694	3.2
286.07968	1.8
287.05484	0.9
287.09006	1.1
290.09363	1.3
291.06726	1.5
291.10135	9.8
292.10767	4.4
293.08057	8.1
293.11716	8.4
294.08771	2.3
294.12338	3.1
295.06125	1.7
295.09674	5.3
295.13287	18.3
295.16434	1.3
296.06863	1.5
296.10358	1.6
296.13837	2.6
297.07596	16.4
297.11160	2.9
298.08255	6.3
299.05847	0.9
299.09076	7.7
300.06122	3.8
300.09326	0.9
301.07047	10.7
302.07840	7.1
306.08932	2.1
307.09625	7.7
308.06989	0.8
308.10352	9.0
309.07715	1.4
309.11224	6.1
310.08502	1.1
310.12021	2.3
311.09155	16.9
311.12714	1.4
312.09818	6.2
312.13437	1.9
313.07095	2.2
313.10645	4.7
314.07837	3.2
314.11075	0.8
315.08560	10.9
316.09384	47.3
317.09915	6.8
321.11221	10.5
322.11942	8.1
323.09161	3.9
323.12720	41.1
324.09726	1.6
324.13324	6.0
325.10675	5.9
325.14331	8.5
326.14545	1.7
327.08838	0.8
327.15912	8.4
328.09302	2.4
329.10168	17.4
329.14023	1.0
330.10764	4.9
336.13446	3.3
337.10721	1.7
337.14523	1.1
338.11545	5.3
338.15195	1.2
339.12189	4.1
340.13086	2.1
341.10028	1.7
342.10925	2.0
343.11752	22.0
344.12030	1.4
353.13824	56.4
354.14471	20.1
355.15399	56.0
356.12009	1.1
356.15930	4.9
357.13104	1.6
357.17114	1.2
367.15515	1.5
370.14072	7.8
385.16434	100.0
386.16794	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1643
Annotation	Urinatetralin
Peak:m/z	Relative Intensity
53.15331	1.3
69.07053	2.1
69.17315	1.3
69.58524	5.6
81.73703	1.1
90.73489	1.1
139.07632	1.4
141.52077	1.2
153.06960	1.8
155.08513	1.4
156.17197	1.2
159.08061	2.6
165.05518	1.6
165.06958	2.4
168.05721	1.3
179.08519	1.4
181.06519	2.0
182.07301	5.1
183.04422	3.3
183.07997	3.5
187.07582	1.5
191.08627	1.6
193.06493	1.3
195.08023	2.3
196.05188	3.5
196.08681	1.4
197.06001	6.4
198.06587	2.4
199.07562	1.8
202.07831	1.2
205.06435	1.6
209.06055	3.1
209.09540	4.1
210.06715	8.0
211.07486	11.6
212.04657	1.5
212.08083	3.0
213.05544	5.3
218.09351	2.2
219.07991	1.5
220.05261	1.4
220.08861	5.4
221.05966	1.3
221.09619	2.8
222.06873	1.7
222.10164	1.2
223.07635	3.4
223.11014	1.5
224.04659	6.2
224.08275	1.5
225.05573	8.4
225.09149	10.8
226.06288	6.0
227.03439	2.9
227.07045	5.4
228.04181	2.6
228.07738	1.8
229.04903	5.9
233.09639	2.8
234.06848	1.9
234.10349	2.1
235.07622	4.5
235.11182	6.2
236.94423	1.2
237.05533	2.2
237.09100	6.9
238.06235	5.7
238.09457	1.7
239.03474	1.4
239.07028	12.5
239.10806	2.1
240.07832	5.0
241.04955	9.9
241.08676	4.6
242.05708	6.1
243.06503	8.0
247.07623	3.5
248.08290	7.0
249.09203	7.5
249.12701	1.6
250.06197	2.1
250.09833	1.9
251.07097	6.5
251.10638	3.5
252.04124	1.7
252.07809	2.3
252.11432	4.6
253.04970	6.6
253.08636	12.6
254.05754	4.7
254.09250	1.7
255.06529	12.2
255.09807	2.0
256.03595	1.7
256.07208	5.4
257.04483	6.2
257.08209	2.1
258.05206	2.7
261.09067	2.1
262.09958	4.7
263.07349	2.4
263.10687	14.7
264.07895	3.8
264.11475	4.2
265.08618	14.5
265.11923	2.1
266.05853	2.9
266.09299	3.4
266.12677	1.3
267.06546	11.1
267.10114	3.0
267.13785	5.8
268.07251	5.8
269.04507	3.9
269.08054	5.9
270.05295	6.7
270.08490	1.6
271.06046	9.7
271.09720	2.1
273.07645	3.8
276.07635	1.6
277.08612	4.8
278.09283	2.7
279.06784	1.5
279.10028	6.6
280.07684	2.6
280.10904	10.7
281.08084	14.3
281.11603	4.4
282.05481	2.2
282.08752	3.3
283.06030	10.7
283.09686	4.9
284.06842	3.8
285.07550	13.8
286.04871	3.2
286.08282	3.4
287.05646	5.9
290.09286	1.9
291.06735	2.1
291.10175	10.7
292.10950	4.4
293.08060	8.9
293.11694	7.3
294.08786	3.6
294.12518	3.5
295.06021	1.8
295.09662	4.1
295.13303	22.7
296.06842	2.3
296.13901	4.4
297.07547	14.5
297.11133	4.6
298.08270	9.7
299.05972	1.3
299.09164	5.6
301.07022	16.8
302.07837	34.3
303.08289	2.1
305.11658	1.8
306.08813	1.6
307.09595	6.1
308.10397	7.5
309.07709	2.5
309.11215	8.1
310.08151	1.4
310.11816	2.9
311.09161	25.6
311.12698	2.2
312.09641	5.6
312.13235	1.9
313.07153	2.1
313.10519	3.0
314.07791	3.5
315.08585	8.8
316.09424	42.1
317.10083	11.8
321.11200	10.8
322.11905	6.0
323.09161	5.3
323.12820	25.9
324.09857	2.1
324.13412	9.0
325.10727	6.5
325.14337	8.3
327.08575	1.5
327.15823	15.6
329.10165	16.4
330.10876	3.5
336.13617	1.6
337.10800	2.0
338.11389	3.6
339.12238	8.8
339.15939	2.0
340.13037	4.3
341.09976	1.7
342.10925	3.2
343.11777	23.1
344.11972	2.5
353.13800	41.5
354.14502	25.5
355.15402	100.0
356.12018	2.0
356.15805	6.6
370.14023	4.9
385.16443	82.7
386.16666	7.1
405.99860	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19630	1.2
69.07073	1.5
69.58659	6.1
98.00562	1.2
132.79347	1.4
139.07504	1.3
141.06873	1.4
159.08029	2.4
165.05519	1.7
165.06972	2.2
167.07050	1.7
168.05638	2.0
169.06345	1.7
179.08492	2.3
181.06493	1.7
182.07268	3.0
183.04294	2.8
183.07961	1.9
185.05988	1.4
192.09331	1.3
195.08119	1.8
196.05223	2.6
197.05978	4.6
197.09654	2.1
205.06604	1.8
209.06049	1.5
209.09578	2.7
210.06717	4.9
211.07527	10.1
212.08220	1.7
213.05460	2.9
215.07010	1.5
219.08047	2.5
220.08806	3.0
221.09677	2.6
222.10426	1.7
223.07605	3.3
224.04681	4.3
224.08223	2.0
225.05489	5.2
225.09079	8.3
226.06250	2.7
227.07019	3.8
229.05017	3.8
232.08865	1.7
232.10925	1.7
233.09579	1.8
235.07513	3.1
235.11134	6.0
237.05557	1.9
237.09038	6.4
238.06216	4.1
239.06987	10.7
239.10831	2.3
240.07729	5.2
241.04839	7.0
241.08607	2.1
242.05785	2.4
243.06482	6.3
247.07507	2.7
248.08382	7.0
249.05376	1.5
249.09187	6.9
250.06389	2.1
251.06892	2.7
251.10725	3.3
252.07777	4.3
252.11423	3.5
253.04953	2.3
253.08606	12.2
253.11162	1.4
253.12022	1.2
254.05792	6.3
254.08765	1.4
255.06456	8.7
256.07278	4.8
257.04523	4.0
257.08148	1.8
261.09070	1.7
262.10010	3.8
263.08127	1.8
263.10614	11.0
264.11276	3.2
265.08652	14.7
265.11572	1.9
265.12067	1.7
266.05655	2.6
266.09372	1.6
267.06522	9.5
267.09848	2.7
267.13861	4.9
268.07196	4.9
269.04941	2.8
269.08105	4.9
269.11542	1.4
270.05252	5.3
270.08734	1.8
271.06079	7.0
271.09442	1.9
272.06747	3.0
273.07687	3.4
276.07919	1.9
277.08618	5.0
278.09338	2.9
279.06732	2.2
279.10184	7.0
280.08035	1.6
280.10886	9.8
281.08093	14.3
281.11618	5.3
282.08746	2.9
283.05997	10.8
283.09631	4.2
284.06848	2.5
285.07599	10.7
285.11047	2.5
286.04807	3.9
286.08142	1.8
287.05487	3.6
287.08929	2.2
290.09372	1.7
291.10141	8.9
292.07233	1.7
292.10773	2.9
293.08112	6.6
293.11636	4.5
294.08972	2.7
294.12106	2.4
295.09692	3.4
295.13281	18.4
296.06842	3.3
296.13770	3.8
297.07590	11.2
297.11127	3.6
298.08337	6.2
298.11578	1.6
299.09045	4.9
300.06335	2.5
301.07056	13.3
302.07828	29.8
303.08167	1.7
307.09552	4.6
308.10349	7.9
309.11160	7.2
310.08459	1.6
310.12000	3.6
311.09125	19.7
311.12411	2.5
312.09705	3.4
312.13541	2.8
313.07205	2.8
313.10834	3.3
314.07855	3.6
315.08469	6.4
316.09384	36.2
317.10016	11.1
321.11179	5.8
322.12042	5.7
323.09204	3.3
323.12738	19.8
324.10098	1.6
324.13391	7.6
325.10675	6.8
325.14322	8.7
327.08948	1.9
327.15909	16.9
328.09399	1.7
328.16391	2.1
329.10147	15.5
330.10944	2.8
338.11536	2.5
339.12399	5.9
340.13095	6.0
341.09964	1.9
342.10898	1.9
343.11713	19.0
344.12216	2.0
353.13821	36.2
354.14511	19.0
355.15372	100.0
356.15787	9.7
370.14160	4.0
385.16428	78.5
386.16931	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1641
Annotation	Urinatetralin
Peak:m/z	Relative Intensity
55.05493	0.4
59.04996	0.4
74.99740	0.3
78.12492	0.3
95.08596	0.4
119.42572	0.3
130.15845	0.4
141.07076	0.4
145.06549	0.4
152.06226	0.6
153.06970	0.6
165.07030	1.2
166.07741	0.7
167.08504	0.6
168.05748	0.4
171.08080	0.6
175.07559	0.6
178.07854	0.5
179.08574	1.3
181.06477	1.8
182.07272	2.5
183.08090	2.5
185.05986	0.8
185.09537	0.5
191.08759	0.3
194.07286	0.9
194.78233	0.3
195.04414	0.9
195.08083	1.6
196.05289	0.6
196.08849	0.8
197.05969	1.6
197.09657	1.3
198.06726	1.0
199.03813	0.5
199.07523	1.5
200.08260	0.7
203.08495	0.3
205.06567	0.5
206.07368	0.5
207.08017	2.4
208.08783	0.6
209.06033	2.2
209.09621	1.3
210.06721	4.0
211.07532	4.6
212.04761	1.1
212.08295	1.0
213.05492	2.8
213.09074	0.8
219.08043	0.8
221.05983	0.9
221.09645	1.0
222.06828	1.2
222.10306	0.5
223.04057	0.5
223.07500	2.2
223.11136	0.8
224.04637	0.6
224.08260	2.4
225.05566	2.2
225.09071	6.3
226.06322	2.2
226.09753	1.1
227.06985	6.8
227.10551	0.4
228.07791	4.0
229.05060	0.7
229.08664	0.5
233.09679	0.4
234.06836	0.7
235.07509	3.1
235.11174	0.4
236.08299	1.7
237.05484	2.6
237.09062	3.0
238.06203	3.3
238.09872	1.1
239.07007	5.9
239.10695	1.4
240.04207	0.6
240.07713	3.1
240.11377	0.5
241.04977	4.9
241.08582	4.3
242.05592	1.4
242.09219	1.7
243.06450	0.9
243.10310	0.8
244.07359	0.5
247.07462	0.7
248.08472	0.8
249.05482	0.7
249.09061	2.4
250.06306	1.0
250.09834	1.1
251.07057	3.1
251.10808	1.9
252.07819	4.4
252.11424	0.9
253.05031	1.8
253.08626	9.3
253.11458	0.5
253.12352	0.4
254.05624	1.6
254.09274	2.8
255.06529	13.9
255.10052	1.4
256.07278	9.9
256.11026	1.0
257.04434	0.7
257.08041	3.3
257.10672	0.5
258.08841	0.4
261.09103	0.5
262.09933	0.8
263.07050	1.5
263.10706	1.6
264.07825	1.6
265.05075	1.3
265.08612	5.3
265.11957	0.5
266.05893	1.8
266.09201	2.2
267.06540	3.2
267.10162	5.6
268.04630	0.4
268.07376	2.5
268.10718	2.3
269.04578	1.3
269.08090	5.6
269.11676	1.6
270.05515	0.6
270.08765	6.7
271.06094	1.5
271.09595	9.4
272.06772	1.1
272.10107	0.7
276.07813	0.6
277.08594	1.9
278.09351	2.5
279.06598	1.6
279.10193	4.3
280.07324	3.5
280.10947	8.1
281.04803	0.4
281.08102	12.2
281.11578	2.7
282.05609	0.6
282.08759	3.7
282.12427	1.1
283.06027	4.7
283.09628	3.4
283.13287	2.2
284.06763	3.3
284.10449	3.6
285.04346	0.5
285.07632	2.0
285.11227	8.8
286.08395	0.7
286.11832	1.3
287.09134	1.4
291.06903	0.3
291.10193	1.3
292.07397	0.5
292.10938	1.0
293.08124	1.1
293.11710	2.7
294.08823	1.2
294.12469	1.7
295.06064	0.9
295.09662	4.8
295.13254	1.3
296.07043	0.7
296.10342	5.2
297.07596	3.7
297.11215	6.0
298.08273	9.7
298.11838	1.4
299.05905	0.9
299.09134	25.7
299.12640	1.9
300.09506	2.3
301.10721	2.8
302.11417	1.9
305.08124	0.8
305.11771	0.6
307.09570	1.0
307.13290	0.5
308.10495	0.8
308.14102	1.4
309.07809	0.7
309.11151	3.5
310.08655	0.5
310.12009	2.3
311.09140	6.6
311.12796	14.8
312.09848	4.4
312.13507	8.2
313.07141	1.8
313.10608	23.8
313.13550	0.9
314.07684	0.9
314.11346	8.1
315.12115	2.3
321.11087	2.4
322.08426	0.4
322.11856	0.7
323.09033	1.2
323.12836	1.6
324.09802	0.6
324.13452	1.2
325.10660	1.6
325.14359	3.4
326.11307	0.8
326.14929	0.8
327.12219	6.1
328.09402	4.7
328.12958	25.2
329.10040	0.9
329.13525	3.2
335.12793	0.7
336.13477	2.6
337.07153	0.6
337.10745	2.1
337.13504	0.4
337.14240	0.6
338.11362	0.9
339.12189	4.0
340.12589	0.6
341.10208	0.5
341.13849	1.4
342.10742	0.4
342.14545	6.3
343.11658	5.4
343.15439	12.4
344.12143	0.8
344.15829	0.8
352.12961	1.1
353.10141	0.8
353.13834	5.0
354.14587	12.7
355.11328	1.8
355.15515	2.1
356.12225	0.6
357.16943	1.1
367.11624	0.6
367.15500	3.0
370.14117	4.5
371.14398	0.5
385.16418	100.0
386.16772	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1644
Annotation	Urinatetralin
Peak:m/z	Relative Intensity
54.04037	0.9
54.36470	1.0
56.99666	1.1
63.75522	1.1
66.13702	0.9
69.01854	1.0
69.07067	3.4
70.18205	2.2
70.18568	2.3
71.03342	1.0
78.70358	1.0
100.98212	1.0
131.08594	1.3
153.06960	1.3
159.08130	1.6
165.05479	1.6
165.06982	2.5
167.07042	2.3
168.05745	1.6
169.06471	1.5
181.06482	2.9
182.07243	2.4
183.04398	1.3
183.08044	2.6
187.07622	2.5
191.08438	1.3
192.09311	1.7
195.08095	2.3
196.05142	1.8
196.08650	1.2
197.06009	3.9
197.09601	2.1
198.06819	1.2
204.49644	1.1
207.08060	1.6
208.08902	1.3
209.06020	2.2
209.09662	2.7
210.06702	5.7
211.07515	9.1
212.08151	1.6
213.05489	1.9
219.08144	2.7
219.10187	1.9
220.08867	3.4
221.05910	1.8
221.09618	2.9
222.06752	1.9
223.07394	2.1
224.04703	3.6
224.08195	1.5
225.05449	7.1
225.08971	5.3
226.06207	4.0
226.09721	2.1
227.07014	4.3
229.04967	3.7
233.09854	2.0
235.07585	3.3
235.11169	5.6
236.08362	2.1
237.05412	2.3
237.09116	4.5
238.06233	4.8
238.09717	2.0
239.06999	9.3
239.10753	2.1
240.07666	4.6
241.04913	7.6
241.08525	2.9
242.05666	3.9
243.06581	3.8
247.07523	2.3
248.08350	4.5
249.05426	1.7
249.09076	6.2
250.09821	2.2
251.07053	4.9
251.10571	3.4
252.04312	1.3
252.07747	3.7
252.11438	4.2
253.05034	2.2
253.08624	13.2
254.05678	4.5
254.09157	3.5
255.06415	8.2
255.10075	2.0
256.07202	4.8
257.04550	2.8
257.08054	1.5
261.09097	2.0
262.09952	3.8
263.07361	2.2
263.10684	9.0
264.07910	2.4
264.11578	1.8
265.05893	1.7
265.08621	12.7
265.12122	2.4
266.05774	3.1
266.09113	5.4
267.06549	8.2
267.10138	4.9
267.13785	4.2
268.07199	4.7
268.10339	2.0
269.04788	2.5
269.08035	8.1
269.11441	1.9
270.05225	5.8
270.08652	4.9
271.06036	8.3
271.09290	1.9
273.07486	1.6
276.07825	2.7
277.08551	4.8
278.09344	3.7
279.06641	3.5
279.10172	5.9
280.07443	2.7
280.10962	8.1
281.04868	2.0
281.08127	13.9
281.11627	4.1
282.05405	2.0
282.08752	3.7
283.06009	8.7
283.09537	6.7
284.06772	3.1
284.10275	4.0
285.07553	9.1
285.10617	2.1
286.04688	2.7
286.08212	2.2
287.05524	3.0
290.09586	1.5
291.10138	8.3
292.10886	3.8
293.08069	7.1
293.11746	6.7
294.08969	2.4
294.12463	3.3
295.06299	2.0
295.09659	6.5
295.13297	16.9
296.06973	2.1
296.10217	3.2
296.13809	2.9
297.07608	12.7
297.11145	5.1
298.08212	12.5
299.05713	1.9
299.09067	5.5
300.06161	1.9
300.09454	1.7
301.07053	11.7
302.07828	22.2
303.08420	1.5
306.08929	1.4
307.09711	6.6
307.13144	2.2
308.10361	6.2
309.07709	1.8
309.11243	8.1
310.08392	2.1
310.11868	3.7
311.09131	16.8
311.12665	4.8
312.09787	9.8
312.13376	4.9
313.07120	2.7
313.10471	12.9
314.07709	3.2
314.11115	3.2
315.08560	8.0
316.09406	30.0
317.10074	8.9
321.11075	9.1
322.12000	4.5
323.09109	4.1
323.12646	21.6
324.13458	8.0
325.10712	6.6
325.14398	6.2
326.11478	2.7
327.11884	6.4
327.15939	11.4
328.09265	2.6
328.12640	2.6
328.16196	1.6
329.10071	13.0
330.10611	1.4
337.14154	2.6
338.11508	3.0
339.12167	8.4
340.13010	4.2
341.10263	2.8
342.10580	1.9
342.14255	4.7
343.11633	22.3
353.09509	2.3
353.13803	36.1
354.14453	23.9
355.11728	3.6
355.15378	76.6
356.12238	3.8
356.15860	7.1
357.17236	1.3
367.15274	1.3
370.14093	6.3
385.16373	100.0
386.16800	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.4
52.50311	0.3
53.03948	0.4
55.01865	0.9
65.03934	0.7
66.04714	0.5
67.05492	0.5
69.46957	1.5
69.47380	0.8
79.05496	2.9
81.07053	1.3
90.54565	0.3
91.05482	4.5
93.07032	1.2
94.04195	2.7
98.22675	0.6
103.05457	1.6
105.07039	4.5
107.04965	1.1
107.08604	1.1
108.05709	1.2
109.06493	0.9
112.33725	0.3
115.05455	4.5
116.06261	0.4
117.06999	2.4
119.04948	2.3
119.08572	0.6
121.06482	1.8
122.02831	0.6
122.03652	7.7
123.08083	3.1
124.05257	0.3
128.06226	7.1
129.07034	1.0
131.04924	3.0
131.08586	0.4
132.05705	1.3
133.02859	1.7
133.06487	5.7
135.04425	0.5
135.08023	0.9
136.05183	1.1
137.05975	100.0
138.06314	4.0
139.03966	0.4
141.07037	0.7
143.04929	3.0
143.08559	9.3
145.06450	1.7
146.03650	0.7
147.04391	1.3
147.08060	1.2
149.05980	1.2
149.09604	1.2
151.03915	1.4
151.07541	27.6
152.07869	1.3
153.07033	0.4
155.06049	0.5
155.08568	0.4
157.06459	0.6
159.04433	0.6
159.08008	0.6
160.05202	3.5
161.05969	3.0
162.06696	0.8
163.07507	2.2
165.05508	1.4
165.06949	0.5
165.09135	3.5
167.06998	0.6
171.04510	0.6
171.08052	13.2
172.08339	0.5
173.05962	0.7
174.06763	0.8
175.07545	35.1
176.07892	1.6
177.05457	3.6
177.09093	3.4
179.07057	0.8
183.08058	0.6
187.07501	0.5
188.08289	0.8
189.05490	2.1
189.09082	3.6
191.07042	1.8
191.08556	0.4
193.08556	0.7
195.10155	15.1
196.10530	0.6
199.07512	0.7
201.05588	0.4
201.09077	0.6
202.07881	0.5
203.07030	3.9
203.08733	0.6
203.10643	8.9
204.11028	0.7
205.06557	0.5
207.08032	0.4
209.08060	0.5
211.07494	0.6
215.06949	0.6
215.10623	0.8
216.14146	0.3
217.08559	1.3
219.08026	1.3
219.10175	2.1
221.08051	0.5
224.08174	0.3
229.10217	0.6
231.08086	1.3
231.10121	0.4
232.08670	0.5
233.05849	0.4
233.09618	0.7
233.11815	0.6
235.07599	0.6
236.08040	0.3
243.10223	0.5
245.09634	0.4
246.10463	0.7
247.07552	1.0
248.08273	1.3
249.09082	0.8
257.09637	1.6
259.07571	1.0
261.09088	1.5
261.11270	1.0
262.09848	0.5
263.07111	0.6
263.10681	1.7
265.08578	1.2
273.09009	0.8
274.09872	1.2
275.10654	1.0
276.07816	1.6
277.08575	1.1
278.09225	0.7
279.10141	1.4
280.10825	0.7
285.09079	1.3
286.09558	0.5
289.08948	0.7
289.12244	1.3
290.09476	0.7
291.10129	3.5
292.07373	0.4
292.10641	0.5
293.08139	0.8
293.11453	0.6
295.09695	0.4
297.11279	0.6
302.09375	1.5
303.10187	1.5
304.10654	0.4
305.11719	1.0
306.08878	1.3
307.09735	0.8
307.13077	0.7
308.10391	1.7
309.11237	0.7
311.12711	1.9
313.14355	0.5
317.11713	4.9
318.12375	0.7
319.09601	0.6
321.11249	2.9
323.12723	6.5
324.13168	0.7
325.14273	0.7
334.12030	1.1
335.12750	4.6
336.13272	0.9
339.12177	1.4
339.15955	1.1
349.14359	3.2
352.12769	0.4
357.16803	1.4
367.15408	10.6
368.15741	1.1
385.16483	5.1
386.16830	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76320	1.9
55.23785	1.9
57.31880	2.0
68.68010	2.1
69.03439	3.1
69.11706	10.6
69.12131	7.9
79.05495	4.2
91.05476	20.0
93.07054	2.7
94.04193	2.4
95.04966	2.5
103.05492	5.6
105.07024	8.2
107.04935	8.4
108.55373	1.9
109.06520	4.7
115.05492	4.3
117.07043	4.2
118.04262	3.2
119.04918	10.9
121.06458	4.3
122.03625	3.6
128.06201	3.9
128.69359	2.3
129.07021	9.0
131.04932	9.0
132.05614	3.2
133.06425	2.0
135.08017	3.0
137.05989	52.1
144.05762	3.4
144.13121	2.2
145.06470	5.0
146.07211	3.9
147.04427	5.7
147.08066	2.8
148.05125	2.5
149.05978	3.1
151.07545	30.6
152.06181	2.3
153.06902	2.4
157.06493	4.9
159.08020	4.5
160.05206	2.4
161.05980	100.0
161.09622	19.5
162.06470	3.4
163.07542	6.6
167.07040	6.3
174.06804	3.9
175.07549	40.5
177.09059	3.8
179.08516	2.3
181.06456	3.3
182.07303	4.1
185.05981	7.3
185.09660	3.8
189.07367	2.6
189.09119	44.3
191.07071	3.9
195.10175	2.6
198.06757	6.4
199.07617	4.7
201.09154	5.0
205.06465	2.8
205.12138	2.3
207.10138	31.7
208.10420	2.5
213.09116	13.5
217.08417	2.8
220.08667	2.7
220.17764	1.9
223.09296	3.5
231.10129	7.6
235.07416	3.1
237.09059	2.7
243.10176	14.0
244.10347	2.5
245.09642	2.3
248.08330	5.2
249.09041	5.1
250.58723	2.2
251.10712	3.7
261.08817	2.9
261.11243	9.2
263.06927	2.4
265.08597	3.3
274.09894	2.4
277.08710	5.9
277.12207	3.4
279.10129	5.3
289.08865	3.4
289.12265	2.9
291.10147	5.9
293.08096	2.4
297.11343	2.7
307.09796	2.8
309.11111	6.3
311.12741	22.9
317.11792	6.8
321.11172	5.2
323.12796	8.1
324.13434	2.6
337.14169	11.5
341.13867	6.0
343.11804	2.9
349.14429	7.7
355.15466	7.0
367.15509	14.2
385.08926	4.2
385.17993	8.2
405.81125	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1646
Annotation	Urinatetralin
Peak:m/z	Relative Intensity
54.42049	0.7
55.05508	3.2
57.07068	1.2
67.05516	5.7
69.03420	2.7
69.07057	3.1
69.11292	4.2
69.11698	2.7
71.08631	2.9
79.05485	5.2
81.07063	7.1
83.04976	2.1
83.08627	1.0
91.05476	4.8
93.07047	7.7
95.04971	2.5
95.08590	4.4
97.02898	2.8
97.06532	2.2
97.10177	1.3
98.22537	1.6
99.04438	1.0
99.08067	2.1
105.07032	2.9
107.08575	3.7
109.06506	4.9
109.10155	2.2
110.32629	0.8
111.04434	3.7
113.06001	1.4
116.74905	0.7
117.07040	1.2
119.08574	3.2
121.06525	4.9
121.10167	3.8
123.04408	1.8
123.08058	2.8
124.05206	1.4
129.07024	1.5
131.08575	5.1
133.06454	1.3
133.10120	1.2
135.08020	0.9
135.11676	1.0
137.05977	1.5
138.91260	0.9
139.07501	0.8
141.07005	1.0
143.08586	1.6
145.10092	1.9
149.02353	1.5
149.09654	2.8
151.11153	1.1
153.05435	1.3
153.07056	0.8
157.10158	1.3
159.08028	1.9
159.11670	1.4
161.05949	0.9
163.11163	1.6
165.05495	2.7
165.06982	2.7
165.12779	3.6
167.07043	2.3
167.08505	1.7
167.10582	0.9
168.05688	1.2
171.11606	1.2
173.13280	1.0
175.07523	0.9
179.08588	1.5
181.12227	24.1
182.07330	1.1
183.08018	1.8
185.13327	1.1
187.07568	1.5
189.05411	1.3
189.12746	1.2
190.07936	0.8
191.08601	1.3
191.14313	1.3
193.06512	2.0
193.10303	1.3
194.07210	1.1
195.08018	2.2
196.05147	1.4
197.05991	3.3
197.09592	2.4
198.06743	1.0
201.09065	1.8
203.08615	1.6
205.06505	1.2
207.08093	2.1
208.08820	1.8
209.05919	1.6
209.09630	2.1
210.06795	4.2
211.03943	1.1
211.07579	6.0
212.08299	1.0
213.05374	2.1
218.09329	1.3
219.08072	2.3
220.08836	2.6
221.05904	1.4
221.09595	2.7
222.06728	1.3
222.10243	1.3
223.07542	2.1
223.11124	2.0
224.04597	1.3
224.08302	1.3
225.05493	2.3
225.09064	6.2
226.06180	2.0
227.06978	2.6
228.04094	0.9
228.07639	0.9
231.08121	1.6
232.08842	1.8
233.06044	1.1
233.09599	2.9
234.06725	1.3
235.07570	5.2
235.11162	3.5
236.08295	3.9
236.11702	1.2
237.05440	1.8
237.09117	5.8
238.06256	3.5
238.09802	1.6
239.07024	5.9
239.10762	1.7
240.07751	3.0
241.04982	2.8
241.08667	2.1
241.19327	1.0
242.05795	2.1
243.06586	2.9
245.09634	1.0
247.07610	3.4
248.08374	4.3
249.05286	1.0
249.09123	6.5
250.06169	1.1
250.09904	3.2
251.07045	3.5
251.10675	6.9
252.04112	1.0
252.07794	3.0
253.04866	1.8
253.08571	9.8
254.05663	5.1
254.09268	2.0
255.06416	5.0
255.10179	2.4
256.07309	4.5
257.04376	1.7
257.08173	1.8
261.09113	3.4
262.09836	2.5
263.07230	4.9
263.10632	9.2
264.07779	4.7
264.11249	2.0
265.05371	1.5
265.08582	9.8
265.12234	3.2
266.05759	1.7
266.09402	2.5
267.06674	4.5
267.10132	4.9
267.13718	1.1
268.07303	3.2
268.10785	1.5
269.04391	2.4
269.08084	5.6
269.11630	1.9
270.05249	4.2
270.08545	2.1
271.06104	2.0
273.07617	1.8
275.07248	1.4
276.07721	1.9
277.08603	7.9
277.11700	1.4
278.09329	5.9
279.06601	2.9
279.10175	14.6
280.07181	2.8
280.10931	7.9
281.08069	13.5
281.11633	4.0
282.05450	1.4
282.08810	3.2
282.12122	1.0
283.06088	3.3
283.09698	4.4
283.12927	1.3
284.06680	2.7
285.07498	8.7
285.10593	1.7
286.04688	2.9
286.07983	1.0
289.08646	1.1
289.21625	3.5
290.09207	2.1
291.06586	2.2
291.10129	6.6
292.07159	2.4
292.10864	4.6
293.08054	12.5
293.11676	8.2
294.08743	2.8
294.12451	5.9
295.06305	1.6
295.09604	10.8
295.13293	10.2
296.07010	1.2
296.10370	14.4
296.13654	1.6
297.07574	9.9
297.11185	4.2
298.08237	4.2
299.05762	1.8
299.09039	4.9
300.06299	2.3
301.07059	7.0
302.07629	3.9
305.08078	1.9
305.21152	4.5
306.08795	2.3
306.12030	1.0
307.09607	16.4
308.07001	1.2
308.10410	19.0
309.07489	5.9
309.11151	6.9
310.08194	2.0
310.11874	3.7
311.09097	11.0
311.12772	6.7
312.09799	4.1
312.13480	2.1
313.07211	1.5
313.10623	5.0
313.14258	1.3
314.07733	1.6
315.08624	5.3
315.12085	1.8
316.09390	21.8
316.13046	1.2
317.10046	3.0
319.09796	1.1
320.10345	1.9
321.11197	11.5
322.11902	9.9
323.09082	7.7
323.12732	27.1
324.09827	10.6
324.13504	7.2
325.10693	15.2
325.14374	6.4
326.11282	1.2
327.08618	1.5
327.16010	5.0
328.09293	2.1
329.10132	9.6
330.10800	1.9
335.12930	1.2
336.13647	2.6
337.10590	2.4
337.14346	1.6
338.11472	6.0
339.12253	35.5
340.09555	0.7
340.13052	15.3
341.10300	5.2
341.13812	1.6
342.10828	1.6
343.11749	15.2
343.15454	2.3
344.12152	1.1
351.25354	12.4
353.13846	40.8
354.14545	17.4
355.11667	4.5
355.15411	34.1
356.12445	6.8
356.15021	1.1
356.16245	1.8
357.13181	1.7
367.15466	1.1
370.14029	6.6
371.14890	49.3
385.16449	66.1
386.17191	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1645
Annotation	Urinatetralin
Peak:m/z	Relative Intensity
51.11766	1.5
59.17562	1.7
59.17884	1.4
63.16757	1.5
69.07088	3.9
71.31591	2.6
99.30884	1.6
105.07031	1.9
136.53236	1.8
142.27890	1.6
153.05536	2.0
155.08519	2.3
164.15584	1.9
165.05528	7.0
165.07045	5.1
167.07152	1.8
167.08588	2.6
168.05643	2.7
173.09656	2.2
179.08598	4.2
181.06575	5.3
182.07320	3.4
183.04462	2.7
183.08054	8.1
183.27278	1.7
185.06049	2.8
186.06760	2.3
187.07558	3.4
189.05354	2.1
192.09390	2.0
193.06516	3.2
195.08105	3.7
196.05307	3.8
197.06100	6.4
197.09604	2.9
198.06822	5.2
199.07500	2.0
201.09007	2.3
203.08624	2.7
205.06509	4.0
205.10184	2.6
207.08159	6.1
207.11707	2.9
208.08765	2.5
209.05980	3.0
209.09572	4.1
210.06779	11.2
211.04015	2.3
211.07507	16.6
211.14940	1.8
212.04816	2.6
212.08394	3.3
213.05605	2.6
214.06221	4.2
215.06941	2.0
217.08589	2.3
218.07452	2.0
219.08188	4.3
220.08772	8.6
221.06181	2.7
221.09662	5.4
222.10385	2.7
223.07547	6.3
223.11107	3.2
224.08176	3.6
225.05583	8.8
225.09100	11.1
226.06345	7.4
227.07065	4.7
228.07722	1.8
232.08763	2.7
232.10962	4.2
233.06003	2.3
233.09618	4.7
234.06821	4.7
234.10352	4.5
235.07561	5.5
235.11000	9.9
236.11664	2.1
237.05502	3.2
237.09068	11.5
238.06281	6.2
238.09715	2.5
239.04816	2.6
239.06973	12.2
239.10695	2.7
240.07776	8.3
241.04938	10.2
241.08563	7.0
242.05731	6.6
243.06505	10.9
247.07645	5.5
248.08305	11.1
249.09033	17.0
250.09802	7.4
251.07051	6.7
251.10678	6.3
252.07899	5.4
252.11356	3.4
253.05028	4.8
253.08685	12.9
253.12091	3.1
254.05682	14.2
254.09314	4.3
255.06516	10.2
255.10147	5.4
256.07184	11.8
257.04669	2.8
257.08148	10.6
258.08981	3.0
261.09085	4.2
262.09872	5.0
263.07205	6.4
263.10739	22.5
264.08124	3.9
264.11313	10.9
265.08649	21.7
265.12085	11.3
266.05789	3.3
266.09259	8.3
266.12341	1.9
267.06744	10.3
267.10223	9.5
267.13849	5.7
268.04132	1.9
268.07297	8.5
268.10117	2.1
269.04617	3.7
269.08179	9.8
269.11456	2.9
270.05310	11.6
270.08838	7.1
271.06107	7.8
271.09708	3.6
273.07639	5.0
275.06967	2.8
276.07880	5.3
276.11368	2.2
277.08664	15.7
277.12054	5.0
278.09387	14.8
278.12387	3.0
279.06912	4.1
279.10193	15.3
280.07355	6.0
280.10910	17.7
280.14041	2.8
281.08224	9.4
281.11636	12.8
281.14841	2.5
282.05252	4.0
282.08868	6.7
282.12231	2.2
283.06085	10.6
283.09760	9.7
284.06790	6.1
284.10013	2.4
285.07669	27.0
285.11115	5.8
286.05096	3.2
286.08136	3.8
287.14410	3.9
289.08798	2.6
290.13000	2.0
291.07089	2.9
291.10089	13.8
292.07614	3.6
292.10852	9.9
293.08124	11.3
293.11667	25.4
294.08731	7.5
294.12311	8.7
295.06339	3.5
295.09756	10.2
295.13333	30.0
296.06894	4.5
296.10443	5.6
296.13788	11.2
297.07663	23.2
297.11185	8.8
297.14481	2.5
298.08292	7.7
298.11646	2.6
299.05939	2.4
299.08969	10.4
300.06409	4.6
300.09982	13.0
301.07123	15.9
302.07803	11.4
306.08881	5.2
306.12106	3.2
307.09692	16.7
307.13239	6.6
308.07095	3.4
308.10391	20.0
308.13733	22.8
309.10989	18.0
309.14194	2.7
310.08459	3.4
310.11929	8.3
310.15262	3.1
311.09256	25.7
311.12680	4.5
311.16095	4.0
312.09961	9.8
312.13379	5.6
313.07031	7.1
313.10733	9.7
314.07880	3.8
314.11349	6.1
315.08649	13.2
315.12329	9.1
316.09399	53.3
316.12482	2.5
317.10138	7.5
321.11221	28.7
322.11923	15.6
322.15555	3.8
323.09091	10.5
323.12805	55.0
323.16156	27.0
324.13144	42.7
324.16849	2.1
325.10709	13.9
325.13699	15.1
327.12347	3.3
327.15649	13.2
328.09415	6.1
328.12982	3.1
329.10168	18.1
329.13736	3.3
330.10791	3.8
336.13614	4.1
337.10617	3.7
338.11523	11.2
338.15186	6.3
339.12079	9.2
339.15564	54.4
340.12531	10.2
340.16299	2.6
341.09894	4.3
342.10764	2.2
343.11740	47.6
343.15649	3.2
344.12228	3.7
353.13824	89.0
354.14499	31.3
354.18076	31.9
355.11029	4.2
355.15292	83.0
356.12088	3.5
356.15781	9.8
357.13266	2.7
369.17307	2.4
370.17572	48.9
370.42892	2.1
371.14197	2.3
385.16443	100.0
385.20050	69.7
385.30762	2.6
386.16513	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1645
Annotation	Urinatetralin
Peak:m/z	Relative Intensity
64.46201	1.6
65.53171	1.5
69.07069	3.4
69.36829	12.4
69.75577	1.7
94.70962	1.9
103.76709	1.8
119.45490	2.0
122.27021	1.7
131.08598	2.2
132.27747	1.6
137.05928	2.2
139.07510	1.9
142.33342	1.8
145.06396	2.6
149.02357	2.9
159.08098	2.2
165.05563	2.0
165.06946	3.2
167.08545	2.5
168.05721	2.8
179.08600	2.4
181.42757	2.0
182.07297	5.9
183.04483	2.9
183.07985	2.8
195.08069	2.4
196.05258	1.9
197.05978	5.3
198.06606	2.0
209.05904	1.9
209.09634	5.2
210.06812	7.0
211.07506	10.8
212.08359	1.8
213.05470	3.8
219.07983	2.8
220.08846	4.2
221.09669	4.1
222.06689	3.1
223.07513	3.6
224.04716	5.8
224.08250	3.0
225.05531	7.6
225.09042	11.0
226.06203	6.9
227.07019	6.7
229.04994	6.8
233.09528	3.6
234.10541	2.7
235.07608	4.1
235.11259	5.1
237.05501	5.6
237.09105	9.4
238.06366	7.7
239.06947	12.8
240.07840	7.3
241.05017	9.6
241.08434	4.2
242.05707	4.3
243.06570	6.7
247.07680	2.5
247.11150	2.3
248.08354	7.4
249.09200	7.5
250.06116	1.9
250.09840	3.7
251.07118	7.4
251.10649	3.8
252.07799	3.8
252.11469	3.7
253.04985	4.7
253.08635	14.3
254.05830	6.2
254.09044	2.6
255.06584	14.9
255.10181	3.5
256.07376	3.7
257.04440	5.8
257.08209	3.0
258.05203	3.1
262.09802	4.4
263.10651	11.0
264.07870	3.9
264.11420	1.9
265.04895	2.6
265.08615	13.7
265.11163	2.2
265.12158	1.8
266.05807	5.1
266.09238	4.5
267.06561	12.7
267.10040	3.3
267.13818	5.9
268.07257	6.9
269.04666	2.4
269.08084	8.5
270.05249	5.9
271.06024	8.4
271.09778	2.0
273.07590	4.2
276.07730	2.8
277.08633	7.7
278.09390	2.9
279.06604	5.5
279.10114	6.7
280.07404	5.0
280.10989	9.7
281.08148	21.7
281.11597	5.3
282.05423	3.1
282.08792	6.0
283.06024	13.7
283.09589	7.3
284.06784	3.9
285.07672	18.3
285.10904	3.7
286.04642	4.7
286.08063	4.0
287.05493	5.9
291.10162	11.8
292.07294	2.3
292.10873	5.0
293.08054	9.9
293.11646	6.2
294.08994	3.7
294.12439	3.9
295.06470	2.3
295.09637	8.6
295.13324	26.7
296.06870	4.6
296.13480	3.7
297.07602	16.6
297.11139	5.7
298.08185	11.0
299.09167	6.2
300.06339	3.9
301.07074	17.5
302.07834	32.0
303.07968	2.3
306.08878	3.0
307.09595	7.0
308.10403	9.0
309.07681	3.9
309.11145	9.0
310.08603	3.3
310.12054	4.8
311.09140	32.6
311.12665	2.9
312.09851	6.8
312.13217	3.4
313.07108	4.2
313.10767	11.9
314.07910	5.6
315.08661	11.0
316.09381	49.4
317.10147	14.7
321.11145	14.6
322.11853	6.1
323.09094	3.9
323.12659	27.1
324.10080	2.7
324.13358	9.7
325.10663	9.1
325.14316	7.9
327.15866	17.4
328.09360	6.0
329.10114	19.5
330.10986	4.2
338.11420	3.5
339.12219	7.7
340.12994	5.2
341.10019	4.4
343.11792	28.3
344.12097	2.1
353.10211	1.6
353.13855	46.9
354.14600	31.9
355.12006	4.9
355.15421	99.7
356.15903	8.8
370.14178	4.4
385.16495	100.0
385.20978	4.0
386.16824	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1648
Annotation	Urinatetralin
Peak:m/z	Relative Intensity
67.05486	4.8
69.07066	3.3
77.10380	2.6
77.73948	2.4
79.05502	2.6
81.07057	3.2
89.50732	2.3
92.09352	2.8
107.04957	2.9
119.08563	5.0
145.10114	2.5
147.14075	2.7
149.02390	3.0
154.51799	2.7
165.05507	2.8
182.07335	4.5
183.08073	3.8
195.07954	3.8
196.05225	4.7
197.06056	4.4
197.09583	3.2
198.06673	2.6
203.10759	3.0
210.06740	3.5
211.07581	6.4
218.07344	2.9
220.08809	2.9
221.09608	3.7
222.06647	2.9
223.07588	6.6
224.04832	3.8
225.05557	5.8
225.09184	10.7
226.06142	3.1
227.07170	2.9
229.04929	5.3
233.09642	2.5
235.07532	5.2
235.11252	7.1
236.08301	3.5
237.05475	4.0
237.09064	6.5
238.06261	3.5
239.07050	10.3
239.10660	3.4
240.07773	6.3
241.04953	10.7
241.08539	2.6
242.05693	3.1
242.09290	3.1
243.06628	8.8
248.08411	7.9
249.05768	2.5
249.09149	9.3
250.06293	2.8
250.09941	2.9
251.07065	9.3
251.10391	3.8
252.07484	3.3
252.11374	4.8
253.05014	5.4
253.08597	13.7
254.05724	7.6
254.09268	3.3
255.06555	11.2
256.07306	7.5
257.04474	4.8
258.05286	3.1
261.08975	3.0
262.09781	2.7
263.07437	5.9
263.10739	14.6
264.07822	5.1
264.11374	5.8
265.05396	3.4
265.08612	14.3
265.12506	3.3
266.05862	4.1
266.09235	5.4
266.12769	2.6
267.06573	9.7
267.10245	4.3
268.07425	6.3
269.04593	4.5
269.08075	8.7
270.05225	6.0
271.06125	6.8
277.08594	6.9
278.09457	11.8
279.06842	6.5
279.10257	14.5
280.07361	5.1
280.10974	7.3
281.08148	21.6
281.11432	4.3
283.06039	9.2
283.09448	3.0
284.06808	3.4
285.07602	9.8
286.04776	4.0
287.05414	6.0
291.06671	3.6
291.10184	8.0
292.10718	7.3
293.08093	7.5
293.11774	15.4
293.57443	3.1
294.08810	3.9
294.12238	4.6
295.09705	7.8
295.13333	21.1
296.10529	3.9
296.13736	4.7
297.07550	11.0
297.10922	6.1
298.08408	10.2
299.09109	3.3
300.06592	3.4
301.04034	3.3
301.06897	12.3
302.07831	33.6
305.08301	2.8
306.08643	3.8
307.09686	11.9
308.10461	7.8
309.07681	4.5
309.11237	8.0
310.11832	3.7
311.09171	22.2
312.09805	7.2
312.13434	3.3
313.07257	3.4
313.10678	7.3
314.07773	4.5
315.08633	6.3
316.09412	37.2
317.10107	15.6
321.11200	21.5
322.12024	9.4
323.09180	8.4
323.12827	21.9
324.09860	3.3
324.13284	4.2
325.10690	10.5
325.14453	15.3
327.15881	13.3
329.10156	12.0
334.81308	3.2
338.11484	3.5
339.12189	17.6
340.12939	6.3
342.11035	3.2
343.11804	22.9
353.13837	51.2
354.14536	33.7
355.12149	4.2
355.15442	74.3
356.15884	5.6
370.14310	10.9
385.08987	4.0
385.12018	5.2
385.16504	100.0
386.16742	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1833
Annotation	His Thr Gln
Peak:m/z	Relative Intensity
66.40265	0.3
69.03440	0.5
69.11672	3.5
70.06595	7.5
76.11252	0.3
81.03427	0.4
85.02904	1.5
89.45441	0.3
91.05500	0.5
93.03325	0.3
105.07017	0.5
109.02824	0.3
110.76557	0.3
118.06561	1.0
121.06477	0.7
121.10133	0.9
123.04418	1.4
123.08065	0.6
127.04015	0.4
130.06523	0.7
137.05980	0.7
139.03918	1.3
146.05986	0.5
147.04437	0.7
149.05946	0.4
160.07582	1.0
161.05978	0.4
163.03865	0.4
163.11255	0.5
165.05463	0.4
170.05937	0.5
177.05470	2.7
188.07095	1.1
201.05502	0.4
205.12213	2.6
206.08134	2.8
223.09473	5.7
223.13097	3.3
241.09171	0.8
257.58615	0.3
329.10068	1.2
385.18335	100.0
386.19016	8.5
387.41550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01863	2.1
55.05507	0.8
57.03429	3.6
61.02917	3.7
65.43464	0.7
67.05499	1.0
69.03432	14.2
70.06593	43.8
71.04991	1.6
71.14349	1.4
73.02909	3.3
79.05480	3.1
81.03422	4.3
81.07053	2.4
83.04997	2.2
85.02905	48.4
86.03235	0.9
87.04459	2.0
91.03923	1.1
91.05469	2.9
93.07057	9.6
95.04988	1.8
95.08590	1.5
97.02878	8.0
97.06549	0.9
99.04465	3.4
105.07037	7.0
107.05006	1.9
107.08588	6.2
109.02896	1.5
109.06524	2.4
109.10160	1.6
111.04506	1.0
117.07043	1.6
118.06541	4.9
118.65369	0.8
119.04942	1.3
119.08573	9.3
121.06548	4.4
121.10149	17.8
123.04437	8.7
123.08095	2.6
127.03913	4.2
129.07034	1.3
130.06496	5.3
131.08551	1.8
132.08087	2.3
133.10126	2.9
135.08044	1.4
135.11697	1.3
137.09625	3.3
139.07581	1.1
143.08627	1.0
144.08096	2.0
145.04968	2.7
145.10118	6.4
146.06000	3.9
147.04376	5.8
147.08047	5.4
149.06001	1.9
149.09624	8.0
159.08070	0.9
159.11708	3.3
160.07558	5.2
161.06010	1.0
161.09604	3.9
163.07524	1.9
163.11186	14.4
164.08270	1.1
165.05505	2.3
165.09163	3.3
167.07079	1.3
169.62090	0.9
170.06065	2.2
175.11240	1.2
177.05467	18.3
177.08983	0.9
177.12785	2.5
179.10692	4.4
181.12193	1.2
187.11227	2.7
188.07098	5.9
188.76686	0.8
197.73959	1.0
205.12242	100.0
206.08138	15.9
206.12572	5.6
207.13817	5.6
223.09547	5.1
223.13283	58.1
224.13638	3.1
238.67235	0.9
241.09306	1.5
329.10065	6.9
385.14432	3.8
385.18518	41.6
386.15390	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01863	2.1
55.05507	0.8
57.03429	3.6
61.02917	3.7
65.43464	0.7
67.05499	1.0
69.03432	14.2
70.06593	43.8
71.04991	1.6
71.14349	1.4
73.02909	3.3
79.05480	3.1
81.03422	4.3
81.07053	2.4
83.04997	2.2
85.02905	48.4
86.03235	0.9
87.04459	2.0
91.03923	1.1
91.05469	2.9
93.07057	9.6
95.04988	1.8
95.08590	1.5
97.02878	8.0
97.06549	0.9
99.04465	3.4
105.07037	7.0
107.05006	1.9
107.08588	6.2
109.02896	1.5
109.06524	2.4
109.10160	1.6
111.04506	1.0
117.07043	1.6
118.06541	4.9
118.65369	0.8
119.04942	1.3
119.08573	9.3
121.06548	4.4
121.10149	17.8
123.04437	8.7
123.08095	2.6
127.03913	4.2
129.07034	1.3
130.06496	5.3
131.08551	1.8
132.08087	2.3
133.10126	2.9
135.08044	1.4
135.11697	1.3
137.09625	3.3
139.07581	1.1
143.08627	1.0
144.08096	2.0
145.04968	2.7
145.10118	6.4
146.06000	3.9
147.04376	5.8
147.08047	5.4
149.06001	1.9
149.09624	8.0
159.08070	0.9
159.11708	3.3
160.07558	5.2
161.06010	1.0
161.09604	3.9
163.07524	1.9
163.11186	14.4
164.08270	1.1
165.05505	2.3
165.09163	3.3
167.07079	1.3
169.62090	0.9
170.06065	2.2
175.11240	1.2
177.05467	18.3
177.08983	0.9
177.12785	2.5
179.10692	4.4
181.12193	1.2
187.11227	2.7
188.07098	5.9
188.76686	0.8
197.73959	1.0
205.12242	100.0
206.08138	15.9
206.12572	5.6
207.13817	5.6
223.09547	5.1
223.13283	58.1
224.13638	3.1
238.67235	0.9
241.09306	1.5
329.10065	6.9
385.14432	3.8
385.18518	41.6
386.15390	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2372
Annotation	plakortolide R
Peak:m/z	Relative Intensity
51.02382	0.8
51.45484	0.6
53.03937	1.9
55.01861	2.8
55.05509	7.9
57.07067	0.9
59.04954	0.7
65.03936	1.8
67.05503	9.2
67.18810	0.6
69.03431	5.2
69.07063	6.2
69.11131	5.5
71.04987	4.9
79.05071	0.7
79.05489	10.7
81.03422	0.7
81.07058	23.9
83.04979	3.4
83.08601	2.9
85.02914	0.6
85.06548	9.9
85.93549	0.6
91.05479	20.0
93.07038	20.6
94.07339	0.8
95.04964	3.4
95.08601	19.3
95.60014	0.6
96.08968	0.8
97.02894	18.9
97.06532	4.6
97.10152	1.1
98.23370	1.4
99.04420	3.8
99.08075	0.9
103.05450	1.0
105.07029	32.2
106.07339	1.5
107.04929	1.3
107.07855	0.9
107.08595	23.3
109.02868	1.7
109.06513	24.8
109.10150	7.3
111.04424	4.6
111.08077	14.7
115.03922	1.7
115.05436	2.1
116.06232	1.0
117.07000	8.2
119.08579	31.9
121.06476	4.1
121.10143	8.6
123.04380	0.8
123.08075	10.5
123.11710	1.2
125.05936	0.7
125.09599	3.0
127.03915	0.8
128.06198	4.8
129.06998	16.0
130.07716	2.2
131.08565	15.9
132.08847	0.9
133.06436	1.9
133.10126	20.6
135.08075	4.0
135.11693	8.7
137.05975	21.1
137.09589	3.3
137.13240	0.9
138.06296	0.9
139.07552	4.4
141.06963	3.0
142.07776	8.4
143.08562	24.6
144.09401	3.4
145.06497	1.0
145.10124	29.2
146.10507	1.5
147.08032	8.4
147.11687	23.6
148.08458	1.3
149.02327	1.0
149.09616	5.2
149.13190	1.6
151.07545	0.8
151.11177	0.9
153.06892	1.2
154.07657	1.4
155.08551	14.2
156.09337	7.6
157.06483	0.8
157.10124	29.3
158.07156	0.9
158.10484	2.0
159.08057	2.7
159.11693	20.1
160.08821	0.7
160.12137	1.2
161.09631	13.1
161.13257	6.4
162.10329	2.2
163.11183	24.7
164.11482	1.2
165.06989	2.7
165.09079	0.8
166.07742	1.5
167.08592	4.4
168.09366	3.0
169.10123	18.6
170.10872	3.0
171.08115	1.3
171.11691	26.5
172.12306	3.2
173.09621	6.7
173.11897	0.8
173.13260	11.7
174.13663	0.9
175.11180	33.0
175.14796	1.4
176.11736	2.0
177.12762	3.5
179.08549	3.1
180.09241	1.1
181.10103	5.7
181.12230	1.3
182.07199	2.0
182.10956	4.0
183.07979	0.7
183.11691	13.8
184.12297	1.9
185.09622	2.5
185.13240	10.7
186.10240	0.8
186.13808	1.6
187.11186	8.5
187.14795	4.2
188.11778	1.8
189.09042	1.9
189.12741	13.8
189.16330	1.3
190.13130	1.9
191.08533	0.6
191.14337	0.9
192.09222	0.7
193.10089	2.7
193.11826	0.6
194.10933	3.2
195.07991	1.5
195.09962	1.0
195.11696	6.9
196.12508	6.0
197.09593	2.7
197.13231	10.9
198.13808	0.8
199.11136	1.8
199.14810	9.3
201.12746	6.0
201.16368	7.3
203.14307	1.7
205.10147	1.4
205.12120	1.3
206.10899	0.9
207.10124	19.1
207.11749	2.4
208.10561	1.2
208.12398	2.3
209.09628	1.4
209.13234	11.5
210.06818	3.8
210.10120	0.7
210.13858	2.7
211.07382	0.8
211.11372	1.3
211.14816	32.9
212.11916	1.0
212.15387	4.6
213.12767	4.1
213.16339	6.9
214.13403	0.7
214.17024	1.0
215.14255	3.9
217.10065	0.8
217.12440	0.6
217.15842	1.1
219.11674	1.2
220.12431	1.1
221.13245	2.2
222.13956	2.0
223.07526	1.2
223.14905	3.3
224.15511	1.0
225.05467	1.1
225.09050	6.5
225.12601	1.0
225.16327	2.5
226.09479	0.7
226.13432	1.1
227.06879	0.9
227.14264	7.0
227.17854	1.2
228.14960	1.9
229.15872	51.9
230.10979	0.8
230.16400	5.3
231.11638	1.8
231.17435	1.7
233.13136	1.6
234.13927	0.9
235.14795	3.0
237.05333	0.8
237.16374	2.9
238.06212	3.6
239.07021	1.4
239.14305	1.2
239.17998	5.1
240.04068	1.2
240.07779	1.2
241.15816	2.9
241.19514	4.3
243.17389	1.3
245.13127	1.8
246.14017	1.2
247.11267	0.8
247.14735	1.1
248.15373	0.8
249.12799	1.1
249.16437	1.3
251.07019	1.9
251.17892	2.8
252.07845	1.2
253.04628	0.9
253.08543	6.6
253.15816	1.5
253.19640	1.2
254.05681	0.8
255.17406	3.9
257.13208	0.9
257.18988	16.7
257.21671	0.9
258.19363	1.3
259.14792	1.0
259.20599	8.5
261.12619	0.8
261.16257	2.2
263.14462	1.2
263.17834	1.5
265.15854	0.8
266.05759	0.9
267.06378	1.0
267.17236	0.8
268.07248	2.5
269.07904	1.0
269.18997	22.6
270.08929	0.8
270.19403	2.8
271.20483	2.5
273.16257	1.3
274.17142	0.8
279.17322	0.8
280.06992	1.0
281.08099	14.5
282.08545	2.1
283.06058	1.4
283.09631	2.1
285.07556	1.2
286.07697	0.8
287.20062	50.1
288.20380	4.1
289.19461	2.1
291.17401	1.2
296.06738	1.3
297.07504	1.1
298.08386	1.1
309.18451	1.3
311.09122	12.9
312.09543	2.2
313.06949	3.2
313.10587	3.0
321.21973	1.5
327.08658	1.0
327.19601	2.5
328.09357	9.2
331.20630	1.4
342.10855	1.1
343.11731	11.2
344.12122	1.3
349.21622	11.5
350.21985	1.3
367.22659	33.8
368.23038	4.1
385.23764	100.0
386.24045	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2372
Annotation	plakortolide Q
Peak:m/z	Relative Intensity
53.03931	2.7
55.01861	3.7
55.05272	0.9
55.05512	8.9
57.03426	1.5
57.07053	1.8
58.08136	0.9
65.03931	1.7
67.05170	1.5
67.05500	14.5
69.03418	4.3
69.07057	5.6
71.04997	4.8
79.05502	11.8
81.06586	1.2
81.07053	23.1
83.04984	4.3
83.08607	2.8
85.06544	8.9
89.79733	0.8
91.05473	18.2
92.05828	1.0
93.07041	23.5
94.07412	1.0
94.22454	0.9
95.04969	5.4
95.08041	1.4
95.08604	21.9
97.02891	19.7
97.06544	5.7
97.10149	2.0
99.04467	5.2
105.04523	1.3
105.07028	30.7
106.07356	1.6
107.08585	23.2
107.90669	1.0
108.08923	1.9
109.02863	2.9
109.06518	25.5
109.10146	9.5
111.04433	5.2
111.08077	13.1
115.03928	2.1
115.05424	2.5
117.07010	9.8
119.08576	33.6
120.08902	1.5
121.06504	4.2
121.10155	12.4
122.10445	1.4
123.08072	9.9
123.11691	2.1
125.09608	2.9
127.03902	1.3
128.06232	5.8
129.06995	15.1
130.07719	2.9
130.66617	0.8
131.08560	18.1
133.10123	23.9
134.10449	1.3
135.08043	5.8
135.11678	8.3
137.04994	1.4
137.05981	23.2
137.09567	3.3
137.13196	1.2
138.06247	1.5
139.07506	5.7
141.06981	4.0
142.07777	10.1
143.08560	22.7
144.09183	2.8
145.06471	1.3
145.09001	1.6
145.10123	30.9
146.10495	1.3
147.08049	6.9
147.11681	24.4
148.12038	1.1
149.02344	2.0
149.09608	6.7
149.13226	2.3
151.11127	2.1
152.06299	0.9
153.06960	2.3
154.07732	2.8
155.08545	12.6
156.09355	6.8
157.10127	29.3
158.10716	1.5
159.08026	2.3
159.11685	21.6
160.08836	1.0
160.12076	1.3
161.08443	1.2
161.09642	14.4
161.13263	6.6
162.10320	1.6
163.11174	22.7
163.14745	1.0
164.11456	1.1
165.07005	4.8
166.07735	1.6
167.08595	4.5
168.09319	2.3
169.10129	17.4
170.10812	3.7
171.08058	1.9
171.11687	29.2
172.12248	3.3
173.09637	7.7
173.13254	12.0
174.10020	1.1
174.13573	1.0
175.11183	33.5
175.14720	2.1
176.11806	2.1
177.12743	3.3
178.07846	1.2
179.08501	5.3
179.10580	0.9
180.09230	2.0
181.06519	1.8
181.10069	6.7
181.12169	2.1
182.07291	6.6
182.10942	4.5
183.07927	1.6
183.11678	14.4
184.12144	1.7
185.09602	1.8
185.13269	11.0
187.11153	9.6
187.14812	4.6
188.11917	0.9
189.09105	2.1
189.12730	14.7
189.16376	1.6
191.10751	1.0
191.14244	1.8
193.10078	2.7
194.07260	1.7
194.10844	3.1
195.07973	2.4
195.11665	6.1
196.08844	1.1
196.12485	6.2
197.06046	0.8
197.09615	6.5
197.11508	1.4
197.13249	12.3
198.10262	1.2
198.13730	1.0
199.07445	1.0
199.11131	3.8
199.14827	11.7
200.15387	1.0
201.12767	6.3
201.16409	6.0
202.13022	1.0
203.14143	1.3
205.10234	1.5
205.12114	1.5
206.10756	1.4
207.08162	1.9
207.10092	18.9
207.11678	2.0
207.13307	1.1
208.12453	2.5
209.09579	1.3
209.13242	13.1
210.06758	11.0
210.13829	2.4
211.07440	2.4
211.11343	1.3
211.14818	31.8
212.15369	4.7
213.12730	3.4
213.16347	5.5
215.14259	2.9
217.10126	1.9
217.19481	1.4
219.11703	1.3
221.05934	1.0
221.13177	3.1
222.06699	2.5
222.13885	1.5
223.07506	2.4
223.11258	1.2
223.14830	5.1
224.08392	1.0
225.05463	2.2
225.09114	18.1
225.12691	1.6
225.16370	1.2
226.13551	1.5
227.06973	2.4
227.14267	6.1
227.17964	1.7
228.14890	1.6
229.15874	52.2
230.16396	5.2
231.11778	1.6
231.17303	2.5
233.13144	1.2
234.13857	1.0
235.07510	1.6
235.14815	1.9
237.05312	2.5
237.16351	3.2
238.06218	8.6
239.06908	3.9
239.14333	1.6
239.17932	4.8
240.04189	1.0
240.07761	3.4
241.08382	1.3
241.15828	2.4
241.19385	4.7
242.05814	1.0
242.09172	1.1
243.11700	1.5
243.17531	1.4
245.13232	2.6
247.14716	1.9
249.16350	1.8
251.06955	3.9
251.17886	3.4
252.07722	2.6
253.04935	3.1
253.08568	18.8
253.15746	1.5
253.19666	1.3
254.05612	1.1
254.08937	2.4
255.06546	2.7
255.10127	3.8
255.17406	3.3
256.07245	1.3
257.08136	1.8
257.18979	18.5
258.19330	1.3
259.14780	2.4
259.20618	8.3
261.12790	1.1
261.16312	3.1
263.14328	1.0
265.04959	1.4
265.08661	1.1
265.15839	1.0
266.05685	4.0
267.06375	2.9
268.07315	5.6
269.04681	1.0
269.07883	2.4
269.18976	21.7
270.05353	1.2
270.08676	2.6
270.19366	2.5
271.20502	2.8
273.16183	1.5
274.16864	1.0
275.14294	1.7
275.17737	1.7
276.15137	1.0
279.06522	1.5
280.07135	2.4
281.04996	1.6
281.08072	41.2
282.08459	5.3
283.05933	4.2
283.09589	6.5
285.07605	5.2
285.10541	1.1
285.15994	1.0
287.20068	51.8
288.20578	5.0
289.16141	1.7
289.19437	2.7
293.08197	1.2
295.05994	3.1
295.09509	1.4
296.06747	4.7
297.07565	4.1
297.10870	1.1
298.08246	3.5
301.06680	1.1
309.18640	2.1
311.09106	39.9
311.12769	2.1
312.09613	4.8
313.06970	8.4
313.10641	7.0
314.07364	1.5
321.22134	2.5
323.09106	1.4
325.10501	1.6
327.08563	2.5
327.19675	1.5
328.09393	29.1
329.09747	3.7
331.20468	2.0
341.10214	1.6
342.10873	2.9
343.11740	37.0
344.11987	3.8
349.21567	8.5
350.21936	1.2
351.25479	1.3
353.10013	1.8
367.11829	2.0
367.22675	36.9
368.23059	3.4
385.12640	4.1
385.23749	100.0
386.24268	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01872	1.8
55.05514	35.1
56.05830	0.7
57.03437	1.0
59.05005	6.3
63.02369	0.4
64.37610	0.3
65.03956	0.5
67.05507	8.2
69.03416	1.0
69.07072	10.7
69.16846	3.3
71.04980	1.7
71.42031	0.3
73.06546	1.7
79.05497	2.7
81.07056	4.4
83.04476	0.8
83.04981	16.9
83.08633	0.5
84.05293	0.9
85.06547	1.8
87.04465	0.9
91.05477	6.5
93.07052	6.9
95.04957	1.5
95.08607	17.1
96.08925	0.6
97.06528	6.0
98.22596	0.8
98.23259	0.9
99.04465	6.2
101.06020	32.4
102.06377	0.8
103.05464	0.6
105.07028	21.2
106.07343	0.7
107.08591	4.1
109.06506	1.3
109.10153	1.4
111.04455	1.7
111.08083	2.5
113.06065	0.8
115.05447	1.4
115.07579	7.3
116.06222	0.7
117.07008	6.1
119.08585	7.2
121.06487	1.8
121.10102	2.0
123.08073	4.3
127.07523	0.5
128.06184	4.1
129.07008	6.2
130.07797	5.7
131.08568	17.6
132.08948	0.7
133.10138	3.7
135.08047	0.9
139.07538	1.5
141.07005	1.8
141.09120	1.5
142.07776	9.8
142.08878	0.5
143.08562	43.1
144.08864	1.8
145.10120	100.0
146.10451	4.9
147.08009	0.9
147.11694	4.5
149.09578	0.5
153.07047	0.5
154.07732	0.6
155.08530	3.8
156.09341	5.4
157.10127	52.7
158.10489	2.6
159.08034	1.0
159.11679	7.2
160.11996	0.6
161.09663	2.3
161.13243	0.9
163.11227	0.9
165.07011	1.2
167.08580	4.4
168.09265	1.4
169.10132	9.7
170.10901	5.1
171.08052	1.6
171.11685	13.0
172.08795	0.6
172.12346	0.7
173.09758	1.8
173.13268	12.7
174.02921	0.4
174.13545	0.5
175.11208	0.8
177.09158	0.7
179.08559	4.5
179.10637	0.7
180.09128	0.6
181.10126	3.5
182.10890	0.5
183.11696	28.9
184.12283	2.4
185.09636	32.1
185.13252	40.4
186.09981	1.6
186.13687	2.7
187.11229	2.0
187.14804	1.3
189.12773	2.1
191.10675	0.9
193.10114	1.6
194.10921	4.3
195.11653	1.7
196.12349	0.9
197.09618	0.6
197.13319	2.7
198.13913	0.5
199.11137	1.7
199.14821	18.7
200.15176	1.5
201.12794	0.8
203.10591	1.0
205.12245	1.2
207.11731	1.3
207.13837	2.6
209.13254	27.9
210.13638	1.9
211.11369	0.8
211.14801	4.7
212.11938	1.5
212.15324	0.8
213.12708	1.7
213.16380	7.0
217.12257	0.7
219.11746	0.6
221.13206	0.9
223.11217	0.6
223.14857	1.6
225.12766	1.6
225.16432	0.8
227.14308	78.6
228.14647	5.9
229.15852	3.6
231.13773	1.2
233.13277	1.0
235.14832	1.4
237.12724	0.6
237.16385	0.7
239.14308	1.4
239.17998	0.7
241.15843	0.6
243.13881	0.8
245.15373	40.3
246.15868	4.0
247.14717	0.6
247.16954	4.1
249.16386	1.0
251.18037	0.8
253.15804	2.7
257.15366	0.9
261.16257	0.5
263.18079	0.5
265.16003	0.6
267.17487	0.8
271.16953	1.0
273.18723	0.7
279.17523	0.5
281.08160	0.9
285.18399	0.9
286.19208	1.8
291.17422	0.7
293.18912	0.7
303.17554	0.4
303.21136	1.2
307.16928	0.5
311.08972	1.0
311.20084	0.7
321.18814	0.6
321.22153	1.7
325.10678	0.5
325.21585	1.1
328.09436	0.6
331.20490	3.2
339.19583	0.5
339.23212	1.6
343.11646	1.0
349.21576	6.6
367.22650	12.5
368.23087	1.6
385.23730	83.1
386.24060	10.6
386.28659	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
54.06938	0.2
55.01865	0.5
55.05514	3.0
57.07060	0.4
63.02386	0.2
65.03946	0.5
66.30408	0.2
67.05504	5.1
69.03429	2.0
69.07069	2.2
71.04989	0.2
71.30334	0.2
71.30700	0.2
79.05491	3.9
80.05840	0.3
81.07057	5.0
81.07519	0.3
83.04980	1.0
83.08611	0.6
83.70878	0.2
85.06535	0.3
87.78851	0.2
90.07080	0.2
91.05477	5.3
92.05887	0.3
93.07042	5.7
95.04964	1.8
95.08605	5.9
96.08921	0.2
97.06528	2.0
97.10161	0.3
103.05475	0.7
103.74142	0.2
105.04500	0.2
105.07028	8.2
107.04976	0.4
107.07858	0.3
107.08591	6.6
108.05762	0.3
108.08940	0.4
109.06520	3.2
109.10158	3.7
111.08118	0.6
115.05456	0.8
117.07020	2.0
119.08588	5.4
121.06506	6.0
121.10133	2.3
123.08069	9.5
123.11649	1.0
124.08443	0.5
125.09617	1.2
128.06187	2.0
129.07001	2.9
130.07788	0.6
131.08560	2.5
133.06482	0.4
133.10124	4.1
133.11049	0.3
134.10522	0.3
135.08054	5.7
135.11699	2.4
135.59741	0.2
136.08359	0.3
136.12059	0.2
137.09624	0.8
137.12286	0.2
137.13251	0.8
141.06981	2.7
142.07780	7.7
143.08575	5.1
144.09303	0.6
145.06519	0.7
145.10121	3.8
146.07262	1.1
147.08051	4.3
147.11681	2.0
149.09628	2.1
149.13283	0.3
151.11177	0.2
152.06264	0.5
153.06982	1.3
154.07721	0.3
155.08548	4.6
156.09354	3.0
157.06522	1.9
157.10123	19.0
158.07185	0.3
158.10454	1.0
159.08084	1.3
159.11703	2.5
160.08780	1.0
161.09619	6.8
161.13242	1.0
162.09955	0.4
162.13579	0.2
163.11171	4.2
164.11586	0.3
165.07002	2.7
165.08261	0.3
166.07796	1.2
167.08569	3.4
168.09317	1.1
169.06442	0.4
169.07840	0.3
169.10115	3.6
170.10881	0.5
171.08084	1.3
171.11682	6.5
172.08800	1.1
172.11993	0.5
173.09589	2.4
173.13307	0.8
174.10371	0.5
175.11183	4.9
175.12650	0.2
177.12808	0.7
178.07765	1.1
179.08548	5.6
179.10042	0.3
180.09337	2.1
181.06544	0.3
181.10110	4.3
182.07304	0.2
182.10922	2.7
183.08121	0.7
183.11681	3.2
185.09592	1.3
185.13251	1.8
186.10382	0.4
187.11186	2.5
189.07019	0.3
189.12729	4.1
189.14297	0.3
190.07712	0.4
191.08510	1.4
192.09294	2.0
193.10123	6.1
194.07336	0.5
194.10886	4.6
195.08034	1.2
195.11685	7.1
196.08733	0.4
196.12404	1.8
197.09656	1.7
197.13246	10.3
198.10643	0.2
198.13512	0.9
199.11160	2.2
199.14868	0.8
201.12767	1.7
202.07832	0.6
203.08533	1.6
204.09343	1.1
205.06490	0.3
205.10089	2.9
206.07564	0.2
206.10902	3.5
207.08138	0.8
207.11676	6.6
208.08992	1.0
208.12454	3.9
209.09760	3.3
209.13242	16.2
210.10124	0.2
210.13855	1.9
211.11185	1.2
211.14760	2.6
212.15118	0.2
213.12784	0.8
213.16443	0.4
215.08501	1.2
215.14403	0.8
216.09305	1.5
217.10101	3.0
218.10881	2.0
219.08121	0.8
219.11649	4.9
219.13643	0.3
220.08813	0.5
220.12442	2.9
221.09906	1.6
221.13239	9.2
222.10403	0.3
222.13913	2.0
223.11382	2.2
223.14798	10.3
224.11836	0.3
224.15471	2.3
225.12784	1.0
225.16357	3.2
226.16766	0.2
227.14311	0.7
228.09323	0.5
229.10063	2.3
230.10878	2.4
231.08110	0.8
231.11668	6.8
232.08821	0.6
232.12442	3.4
233.09683	1.5
233.13222	4.7
234.10384	0.9
234.14003	1.9
235.11284	1.9
235.14806	9.8
236.15277	1.1
237.12730	1.4
237.16342	3.4
238.16721	0.3
239.08560	0.2
239.14368	0.2
241.10201	0.6
241.15843	1.8
242.10980	0.7
243.11693	3.0
244.08916	0.5
244.12416	2.4
245.09589	1.3
245.13229	8.5
246.10451	1.3
246.14003	5.2
247.11194	1.7
247.14803	8.0
248.12024	0.7
248.15428	1.6
249.09317	0.3
249.10107	0.3
249.12819	2.2
249.16464	4.9
250.16931	0.9
251.14421	0.6
251.17976	0.7
253.10091	0.4
254.10844	0.3
255.11719	1.1
256.12549	1.1
257.09732	0.4
257.13239	2.9
258.10498	0.8
258.13992	2.5
259.11276	2.2
259.14890	9.4
260.12054	1.4
260.15619	4.8
261.12833	2.9
261.16434	9.3
262.13464	0.5
262.17050	2.2
263.14392	2.2
263.18011	5.1
264.14822	0.4
264.18515	0.8
265.16028	0.4
265.19571	0.4
267.11731	0.8
268.12469	0.6
269.09711	0.2
269.10632	0.2
269.13208	1.3
270.13947	1.1
271.11273	0.8
271.14868	2.4
272.12070	1.0
272.15613	2.2
273.12814	1.7
273.16431	4.0
274.13531	0.8
274.17203	3.9
275.14362	3.1
275.17960	3.7
276.15067	0.8
276.18588	0.7
277.12848	0.4
277.15948	2.0
277.19537	1.0
279.17496	0.3
280.12714	0.4
281.13126	0.9
282.14099	1.0
283.11301	0.4
283.14856	2.1
284.12247	0.4
284.15665	0.8
285.12830	1.3
285.16443	2.6
286.13547	0.8
286.17145	1.2
287.14383	2.9
287.18011	5.1
288.14929	0.6
288.18591	1.1
289.12726	0.3
289.15970	3.9
289.19577	12.0
290.16818	0.3
290.19989	1.5
291.17502	0.5
291.21048	0.6
293.13098	0.2
294.13861	0.3
295.11499	0.4
295.14618	1.3
296.12204	0.2
296.15616	0.8
297.12811	0.7
297.16452	1.5
298.13614	0.5
298.17175	1.1
299.14352	1.4
299.17960	1.5
300.11948	0.2
300.15103	0.7
300.18765	0.7
301.12576	0.4
301.15915	2.2
301.19583	1.8
302.16534	0.6
302.20242	0.9
303.17526	1.5
303.21103	1.6
305.19101	0.3
308.15598	0.4
309.13104	0.3
309.16479	0.9
310.13861	0.2
310.17184	0.7
311.14404	0.5
311.18024	1.6
312.15100	0.5
312.18686	1.0
313.15884	1.2
313.19577	1.6
314.16614	0.8
314.20380	0.5
315.13809	0.5
315.17496	2.7
315.21179	0.9
316.18066	0.7
317.18951	0.3
322.17358	0.2
323.18106	0.7
324.18808	0.5
325.16125	0.3
325.19608	0.9
326.16611	0.3
326.20163	0.2
327.17450	1.6
327.21216	2.0
328.18167	0.6
328.21777	0.7
329.15213	0.6
329.19061	2.5
329.22684	0.9
330.19669	0.3
337.19550	0.8
338.20346	0.6
339.21005	0.9
341.19092	1.2
341.22696	0.3
342.16187	0.2
342.19788	0.7
342.23413	0.6
343.16934	0.4
343.20621	1.6
343.24268	0.4
352.21945	0.6
353.22269	0.3
355.20514	1.2
356.17438	0.2
356.21442	0.6
357.22034	2.2
357.25900	3.1
358.22293	0.4
358.26401	0.3
367.20407	1.2
367.24344	3.6
368.24753	0.8
370.19019	0.3
370.22876	1.0
385.21826	7.7
385.25372	100.0
386.21832	1.2
386.25720	14.6
386.39908	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99639	1.4
55.01862	2.6
55.05510	68.1
57.03159	1.7
57.03436	23.3
57.06795	3.0
57.07074	51.8
60.18260	1.3
67.05501	25.4
69.03416	1.5
69.07066	82.3
70.51888	4.4
71.04963	2.4
71.08629	32.5
73.06554	2.4
79.05499	12.8
81.07049	38.3
83.04955	4.5
83.08617	53.6
83.09111	2.9
85.06530	2.7
85.10173	19.0
86.74271	1.3
91.05466	3.2
93.07034	20.0
95.08602	37.1
96.08951	1.5
97.06540	13.8
97.10165	34.2
98.22683	1.6
99.08067	2.1
101.06010	3.3
105.07024	2.5
107.08607	14.9
109.10139	17.2
111.08064	8.9
111.11713	12.2
115.07564	5.1
119.08553	1.9
121.10146	19.5
122.10467	1.7
123.11690	6.3
125.05879	1.5
125.09614	9.5
125.13259	3.0
129.09148	2.2
133.10114	2.5
135.11665	15.8
137.13242	2.0
139.11162	9.2
143.10648	2.3
145.10129	3.5
149.13261	9.4
151.14836	1.7
153.12758	7.6
154.40205	1.4
157.12234	1.7
163.14766	8.1
167.14316	4.8
177.16394	5.3
181.15938	3.2
185.13145	1.5
191.17920	3.5
191.47116	1.5
195.17447	3.6
205.19550	1.9
209.18956	2.7
211.11078	1.8
213.18472	1.8
219.21091	2.1
223.20679	1.7
225.12865	2.0
237.22009	3.9
239.41167	1.3
263.10651	1.6
275.27304	8.3
293.28354	16.0
308.10269	1.4
316.09387	3.1
338.10645	1.8
343.11844	2.8
353.13858	4.1
354.14371	3.8
355.15164	5.0
367.32004	17.5
368.32382	1.8
370.13748	2.3
385.16119	9.8
385.21652	3.6
385.33084	100.0
386.16708	2.2
386.33350	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	1.3
53.03938	3.2
55.01881	3.0
55.05512	57.2
55.92583	1.2
56.05857	1.3
57.03442	24.8
57.07079	56.8
67.05177	2.0
67.05507	26.2
69.07071	77.4
69.11967	8.4
69.12378	2.9
70.07401	1.7
71.04995	3.8
71.08636	33.9
72.08991	1.4
73.06552	2.3
75.04488	1.7
79.05502	10.6
79.91747	1.2
81.06581	1.9
81.07057	32.0
83.04984	2.5
83.08619	52.7
85.06539	3.0
85.10182	20.9
91.05479	3.7
93.07049	16.9
95.08610	33.4
97.06548	13.4
97.10172	34.7
98.22723	2.9
98.23386	2.6
99.08083	1.7
99.11739	1.9
101.06025	3.1
107.08608	12.3
109.10139	18.6
111.08081	9.3
111.11710	10.2
115.07570	3.2
121.10146	16.1
123.11685	6.8
125.09628	9.1
125.13303	2.2
129.09123	3.1
135.11697	17.2
137.13257	3.0
139.11177	8.9
143.10686	3.1
149.13261	11.4
153.12766	6.2
157.12236	2.8
163.14839	7.5
167.14345	5.0
171.13811	1.5
177.16389	5.2
179.17986	1.6
181.15886	3.5
185.15411	2.0
191.17998	4.4
195.17409	3.6
205.19499	2.6
209.19037	3.1
219.21107	2.5
223.20560	2.7
275.27509	8.8
293.28394	15.8
294.28735	1.3
311.29410	1.6
312.94711	1.3
328.09253	1.3
333.34351	1.5
353.13345	1.6
367.32129	16.6
368.32632	1.9
385.15540	3.0
385.33099	100.0
386.33496	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1601
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
53.03938	0.4
54.03456	0.5
55.01880	0.4
55.04248	0.5
58.06593	0.6
60.99247	0.2
61.79852	0.2
67.05486	0.3
68.99799	1.2
70.06596	100.0
71.06930	1.5
79.05492	0.8
81.03428	0.4
81.07063	0.8
85.02912	1.0
85.06583	0.2
86.01632	0.2
87.81121	0.3
91.05495	1.0
93.07040	1.2
95.04984	0.5
95.08625	0.5
97.02866	0.6
98.23447	0.5
99.04479	0.3
103.05462	0.7
105.07043	0.7
107.04955	1.0
107.08616	0.3
109.06528	0.4
109.10178	0.6
109.69216	0.3
117.07033	0.3
119.04938	2.4
119.08577	0.5
121.06503	2.2
121.10146	1.0
123.04442	11.9
131.04936	0.7
133.10136	1.2
135.04396	2.2
137.05978	0.7
145.10129	0.3
147.04419	7.4
148.04735	0.4
149.05984	5.1
151.07622	0.5
159.04456	0.9
161.05989	0.8
163.11215	0.6
165.05484	3.4
175.07545	0.5
177.05478	57.9
178.05817	3.4
188.07101	0.3
189.05467	0.5
189.12784	0.4
206.15414	0.4
207.06598	1.2
207.13884	1.3
225.07437	0.4
225.11021	1.2
225.14822	0.7
234.11267	3.3
293.23740	0.3
329.10211	10.8
329.14136	0.6
330.10541	0.8
386.15991	30.5
387.16528	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1597
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
53.03936	0.2
54.03457	0.6
55.01877	0.3
55.04268	0.3
55.05494	0.2
57.03421	0.3
64.07610	0.3
68.99789	0.7
69.03416	0.5
70.06591	100.0
71.06295	0.3
71.06928	1.5
71.29639	0.3
79.05501	0.4
81.03412	0.4
81.07069	0.7
83.04973	0.2
85.02926	1.4
85.86451	0.2
88.72315	0.2
91.05483	1.1
93.07045	0.7
95.04990	0.5
95.08581	0.3
103.05463	0.9
105.03430	0.3
105.07056	0.4
107.04967	0.8
107.08662	0.2
109.06508	0.5
109.10192	0.2
117.03428	0.4
119.04939	3.3
121.06492	1.7
123.04427	16.2
123.11716	0.8
124.04797	0.7
131.04897	0.3
132.22261	0.2
135.04465	1.6
137.05978	0.9
139.03918	0.7
145.02861	1.0
147.04407	10.0
148.04710	0.4
149.05963	3.8
151.07526	0.3
159.04451	0.2
161.05983	1.3
161.13548	0.3
163.03990	0.4
165.05475	5.3
166.05856	0.3
175.07539	0.4
177.05463	42.1
178.05823	1.5
179.07056	0.4
184.07259	0.2
189.05501	0.8
191.06981	0.3
207.06557	1.4
207.08376	0.5
207.13780	0.5
224.16443	0.4
225.10966	1.8
225.14879	0.3
228.72780	0.2
234.11269	1.3
311.09009	0.3
329.10175	14.0
330.10501	0.9
340.11835	0.3
386.15958	28.4
387.16415	4.9
387.20932	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01871	0.9
55.32839	0.5
57.03428	0.7
58.06600	1.3
61.02903	1.6
69.03423	5.9
69.36703	1.7
69.37120	1.7
73.02919	1.0
79.05489	1.4
81.03407	2.8
85.02905	14.5
86.03219	0.5
87.04453	0.9
91.05464	2.9
97.02900	5.2
99.04447	0.7
103.05457	4.3
105.07023	18.1
106.07356	1.2
107.04946	1.8
109.02859	1.7
117.07042	0.9
118.06532	4.8
119.07340	0.8
120.08101	14.1
121.08440	0.6
122.09657	1.2
127.03917	3.1
128.06197	1.7
130.06578	1.1
131.04913	1.6
131.07317	1.1
132.08102	0.8
143.08543	1.7
145.04964	1.6
160.11205	59.3
161.11563	2.1
178.12259	48.8
179.12584	2.0
206.11757	9.8
207.12109	0.7
224.12801	100.0
225.13110	4.4
228.36745	0.5
303.50827	0.5
350.16235	1.2
386.14212	0.9
386.18286	1.8
387.16287	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.01868	7.5
57.03437	17.7
59.05034	1.9
61.02927	16.0
62.61560	1.5
69.03431	31.9
69.50880	9.6
70.06600	4.2
71.01353	4.3
71.04979	3.3
73.02917	75.8
74.68652	1.6
81.03422	5.5
82.78770	1.5
83.05028	2.2
85.02906	100.0
87.04482	5.6
91.03970	5.3
91.05479	3.4
95.04981	4.8
97.02893	54.6
98.22636	3.3
99.04445	3.4
103.03970	1.7
107.08550	1.7
107.70200	1.5
109.02880	7.5
109.10151	2.1
115.03930	26.4
127.03916	30.9
133.04965	35.1
145.04959	52.8
147.04451	2.2
150.07664	2.3
163.06024	27.4
175.03989	2.8
177.05486	3.8
185.04332	1.7
207.06573	4.8
217.07146	2.3
223.06049	4.1
224.16437	2.1
225.07304	5.3
225.10989	7.2
225.14822	3.1
241.07085	6.6
258.01373	2.0
259.08148	5.4
320.21176	1.7
356.53268	2.0
386.15131	6.3
387.11966	3.1
387.16357	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	7.1
57.03431	11.2
61.02922	9.1
69.03439	23.0
70.06584	3.1
73.02908	15.5
76.97490	2.4
77.33669	3.0
81.03400	4.2
83.04963	3.2
85.02911	100.0
87.04472	4.4
91.03953	8.5
97.02905	29.7
101.06013	3.2
101.80038	2.4
109.02885	6.9
115.03920	12.1
115.07580	5.6
127.03894	28.5
129.05447	4.2
133.04979	12.4
145.04958	47.0
163.06026	26.5
225.07359	11.2
225.11012	6.1
233.80247	2.5
237.13260	3.4
276.29874	2.3
301.11926	3.8
343.12888	7.5
386.14557	11.6
387.11642	13.6
387.16833	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71983	0.9
57.03447	3.6
61.02929	2.4
65.67072	0.9
69.03432	9.5
70.06593	1.3
71.29485	1.3
73.02918	8.5
75.61179	0.9
85.02908	19.2
87.04472	3.3
91.03954	0.8
95.04974	1.0
97.02894	12.5
99.04420	1.0
100.11266	5.0
105.16885	0.9
109.02869	1.8
113.05960	0.9
115.03935	7.4
127.03898	6.0
133.04979	10.9
144.08078	7.7
145.04962	12.0
145.05986	1.3
150.07559	0.9
151.07726	1.1
161.10812	1.1
163.06067	6.4
164.41243	1.0
194.97437	1.9
195.97845	1.8
212.98430	1.4
225.07335	11.3
225.10948	1.4
227.15623	1.1
227.17502	5.2
237.95653	1.9
238.95883	2.0
247.99597	1.8
273.44684	0.9
290.83337	0.9
327.01889	1.7
344.99698	2.0
345.03281	1.4
386.15225	9.8
387.16388	100.0
397.42990	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1437
Annotation	(3R)-5,7,2',3'-Tetrahydroxy-4'-methoxy-5'-prenylisoflavanone
Peak:m/z	Relative Intensity
53.03939	0.9
55.01862	1.5
55.05500	1.1
65.03941	1.5
67.05501	2.1
68.99796	2.1
69.03419	0.9
69.07053	0.8
69.13324	1.5
69.13731	4.4
79.05481	1.0
81.07030	0.7
83.04984	2.1
83.81796	0.6
91.05468	1.1
93.03407	1.7
93.07030	0.8
95.04990	1.4
97.06527	2.1
98.22621	1.2
103.05424	1.0
105.07015	0.8
107.04985	0.9
107.08598	0.8
109.10159	0.7
111.04436	4.1
115.05487	1.4
119.08598	0.7
121.02877	0.7
122.03645	1.8
123.04436	4.3
127.03903	1.2
129.07024	1.2
131.04922	1.5
133.10103	0.9
135.04434	0.8
135.08049	0.9
137.05978	13.5
139.03905	100.0
140.04276	4.3
140.84666	0.6
143.04936	1.0
145.06494	1.1
145.10149	0.8
147.04387	1.0
149.05962	2.1
151.03906	2.8
153.05391	0.9
155.04796	0.6
160.05157	0.6
161.05981	3.7
161.09683	0.7
163.03903	7.7
164.04201	0.7
167.03426	4.1
167.07098	3.1
173.05966	2.3
173.09636	1.4
175.07547	3.5
177.05481	1.5
181.04924	2.4
182.07349	0.7
187.07655	0.7
189.05492	1.7
189.09190	1.5
191.06999	1.6
191.10661	1.3
197.05957	0.8
197.09648	0.7
201.09123	1.7
203.07063	0.9
203.10637	1.5
210.06905	0.9
211.07535	1.1
215.10669	1.3
217.08598	1.2
219.10156	12.7
225.09135	1.3
226.06158	0.9
231.10139	1.2
239.07112	1.3
243.10165	1.8
261.11221	1.7
265.08545	1.1
266.09174	0.7
267.06653	1.2
267.09769	0.9
279.10284	0.7
280.11139	0.8
281.08090	0.8
283.06042	0.8
284.06879	0.9
285.07510	1.6
285.10748	0.7
293.11719	0.7
295.06085	0.7
295.13300	1.4
296.06955	0.7
299.09088	1.7
301.07074	0.6
308.06784	1.4
309.11267	1.0
313.10724	1.2
323.12772	2.7
331.11600	1.1
339.12247	0.8
341.13721	2.1
345.13315	1.1
351.12311	3.3
355.15442	4.9
356.16025	1.7
357.12921	1.5
369.13333	3.0
387.14172	2.5
387.18521	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1438
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
53.03934	2.5
55.01863	2.7
55.90778	1.3
56.96542	1.1
57.61125	1.1
65.03940	7.0
65.56386	1.1
67.05502	3.7
69.01488	7.2
69.01918	6.3
69.03425	2.0
79.05497	4.3
81.03396	1.3
81.07073	1.6
82.04218	1.6
85.02898	4.6
91.05468	3.7
93.03404	2.9
94.04176	4.2
95.04959	4.0
96.90484	1.2
97.06527	4.7
98.97575	2.1
102.04694	1.3
103.05476	24.9
105.04543	1.2
105.07020	3.9
106.04151	1.5
107.04967	5.7
108.02085	3.9
110.03679	2.1
111.04453	2.5
115.05459	4.4
117.07033	4.7
118.04134	8.1
119.04916	2.7
121.06469	2.8
122.03654	7.9
123.04472	2.8
124.05234	1.4
125.05986	1.6
127.03870	1.2
131.04936	23.7
133.02844	2.6
133.06496	4.8
134.21239	1.3
135.04329	1.3
135.07999	1.5
137.05980	100.0
138.03133	1.6
138.06320	2.5
139.03920	5.5
141.05476	1.7
142.02585	2.5
143.04916	4.2
145.06491	5.7
146.03651	1.7
147.04430	1.4
148.05203	14.2
149.05911	2.1
151.03925	66.2
151.05020	6.7
152.04239	1.6
153.05464	2.9
155.04968	1.5
159.09189	1.5
161.05901	2.8
163.07553	24.6
165.05453	1.8
167.07063	18.7
171.06653	2.3
173.06046	4.4
175.07547	4.7
176.04643	2.0
177.05475	1.9
181.04970	74.1
181.08646	2.0
182.05263	3.5
187.07492	2.1
191.07039	81.9
192.07419	3.7
195.06526	1.7
203.07066	4.9
204.02951	1.3
205.08626	3.0
209.08023	2.7
215.06979	1.9
217.08589	1.7
219.10127	4.6
233.08080	2.9
234.06775	1.3
235.09724	3.6
249.08946	2.6
263.06915	2.0
265.08505	2.2
267.86096	1.2
277.08734	1.8
279.10150	1.7
299.08972	1.6
303.08643	1.5
309.11282	2.5
311.09164	1.6
323.12814	2.0
325.10599	2.3
341.14139	1.8
351.12073	1.9
355.11755	5.9
355.15466	6.7
356.16046	2.3
357.13354	9.7
369.13403	2.8
387.14206	24.6
387.18051	2.7
388.14978	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1438
Annotation	Comazaphilone D
Peak:m/z	Relative Intensity
55.01858	2.8
55.05508	1.7
57.03440	1.2
65.03934	2.3
67.05516	3.6
68.99796	1.5
69.03426	2.3
69.05131	5.2
69.05558	2.0
69.07067	4.9
78.04699	0.8
79.05490	8.2
81.03402	1.0
81.07047	2.3
82.11941	0.7
83.04977	2.3
91.05491	3.0
91.36551	0.9
93.03384	2.0
93.07030	2.6
94.04178	2.8
95.04958	3.0
95.08584	2.1
97.02898	1.3
97.06531	59.6
98.06878	1.4
103.05475	6.5
104.36777	0.8
105.03402	0.9
105.07024	3.2
106.04158	1.0
107.04958	2.5
108.02037	1.2
109.10155	1.1
111.04452	6.0
115.05463	2.8
117.07021	1.9
118.04144	1.9
119.08566	1.2
121.06516	2.1
122.03649	5.9
123.04428	23.0
124.44605	0.7
125.05943	0.9
126.51481	0.8
127.03951	1.1
131.04929	6.6
131.08592	1.0
133.02882	0.9
133.06497	2.3
133.10097	1.3
135.04411	1.8
135.08011	0.9
137.05978	60.8
138.06299	1.8
139.03899	100.0
140.04254	2.8
143.04910	2.2
143.08574	1.6
145.06487	2.0
145.10170	1.4
147.04417	2.1
147.08040	1.0
148.05249	3.7
149.05959	0.9
151.03912	16.8
151.05000	1.8
153.05470	1.8
155.06004	0.9
155.08476	0.9
157.06540	1.0
157.10184	1.0
161.05989	5.3
161.09630	0.8
163.03888	9.7
163.07544	7.5
164.04234	0.8
165.05504	2.0
165.09125	0.8
167.07021	9.5
173.06012	3.4
173.09605	1.8
175.03902	1.3
175.07544	3.6
177.05389	0.9
181.04956	17.7
181.06450	1.4
181.08574	2.6
187.07532	1.3
189.09164	1.4
191.07024	21.0
192.07297	1.0
193.08646	1.2
199.07536	0.9
201.09076	4.2
203.06931	1.6
205.08664	1.2
211.14934	0.7
217.05058	1.4
217.08601	5.7
219.10162	43.6
220.10503	2.3
231.10191	1.3
233.07907	1.0
233.11716	1.5
235.09572	1.4
255.06442	0.8
259.09888	0.9
261.11230	1.5
271.06058	1.3
283.05978	0.9
286.04758	5.3
299.55548	0.9
301.07065	7.4
307.09573	0.8
309.11121	1.7
325.10681	1.2
351.83121	0.9
355.11359	1.5
357.13223	7.2
358.13870	1.3
369.13507	4.8
369.17249	1.1
370.13669	1.1
387.14114	13.9
387.22903	1.7
388.14590	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1439
Annotation	Comazaphilone D
Peak:m/z	Relative Intensity
51.02389	0.5
53.03941	1.1
55.01875	3.4
55.05502	1.3
57.03432	0.6
65.03945	1.8
67.05517	3.0
68.99790	1.3
69.03439	0.7
69.07066	3.6
69.19855	4.0
72.39472	0.6
79.05496	4.8
80.54088	0.5
81.07059	3.4
83.04993	1.1
84.46152	0.6
91.05495	1.5
91.44053	0.5
93.03420	1.0
93.07040	1.6
95.04973	2.3
95.08617	1.7
97.02898	0.9
97.06531	80.2
98.06866	2.2
103.05476	1.6
105.07036	1.8
107.04925	0.9
107.08604	1.0
109.06539	0.6
109.10154	1.2
111.00800	0.6
111.04442	4.6
115.05468	1.6
117.06995	0.9
118.04129	0.9
119.08627	1.0
121.06538	0.6
121.10181	1.1
122.03632	1.4
123.04427	23.9
123.11738	0.8
124.92502	0.5
127.03951	0.9
131.04918	1.4
133.06519	1.7
133.10199	0.5
135.04456	1.2
135.08084	0.7
135.11800	0.5
137.05975	14.0
137.88409	0.5
138.06320	0.7
139.03899	100.0
140.04205	2.9
141.28389	0.5
145.06494	1.1
145.10104	0.8
147.04407	1.4
148.05186	1.1
149.05951	0.8
150.15868	0.5
151.03908	4.2
151.07475	0.7
151.11192	0.7
153.05476	1.1
159.08078	0.8
161.05954	4.6
163.03903	7.0
163.07584	1.8
165.05460	0.8
165.09026	0.7
167.07030	2.8
173.06079	0.8
173.09465	0.6
175.03828	0.8
175.07610	2.7
177.09256	0.7
181.04955	5.5
181.08620	1.1
189.05516	1.0
189.09109	1.3
191.07045	4.1
199.07632	0.6
201.09102	1.9
203.07025	0.7
204.11743	0.5
205.08524	1.1
217.08571	4.9
219.10164	26.4
220.10539	1.4
231.10104	1.2
233.08028	0.7
259.09708	0.9
261.11194	1.6
269.08203	0.7
291.08691	0.7
305.24881	0.8
333.24393	1.0
357.13287	1.7
369.13272	1.7
387.14285	4.5
387.25168	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1437
Annotation	Kwakhurin hydrate
Peak:m/z	Relative Intensity
50.31983	0.9
53.03939	0.9
55.01859	1.3
65.03950	0.8
67.05490	1.6
69.03425	1.0
69.07058	1.2
69.99300	1.8
69.99695	1.4
74.60278	0.6
77.28181	0.7
79.05476	2.7
81.07037	1.0
91.05483	1.8
93.03416	1.1
93.07030	0.9
93.62955	0.8
95.04979	1.4
97.06523	8.2
101.17412	0.7
105.07083	1.0
107.04953	0.8
109.06501	1.7
109.10176	0.7
111.04482	1.2
119.08601	1.3
123.04453	3.9
125.05975	1.4
127.62518	0.8
128.06204	1.1
128.86299	0.8
129.06969	1.0
131.08569	1.0
133.06436	0.9
135.11636	0.8
137.05978	6.6
138.03065	0.9
139.03909	17.3
145.06464	0.7
150.36490	0.7
151.03851	1.4
151.07600	0.7
151.20583	0.7
152.06271	0.8
155.08611	0.8
161.05983	1.4
163.03938	1.8
165.05470	8.7
165.06976	1.9
165.09200	0.9
167.07024	2.4
167.08522	1.4
168.05826	0.9
169.06442	1.2
171.06523	2.9
171.07970	1.1
171.11700	1.0
173.05949	0.9
177.05391	1.0
179.03317	0.8
179.08557	1.3
181.04959	28.1
181.06412	1.5
181.10056	1.0
182.05360	0.9
182.07248	2.4
183.08076	1.0
185.06015	1.0
189.09137	1.6
190.07796	1.4
191.06960	1.0
191.08487	1.0
195.06477	1.1
195.08083	2.6
197.06000	1.8
197.09692	1.1
198.06746	1.1
199.07504	1.2
201.09065	0.7
205.10303	0.8
207.08006	1.0
208.08788	2.5
209.05949	1.5
209.09613	1.9
210.06778	6.7
211.07480	3.0
213.05508	2.3
217.08510	1.7
218.07199	1.4
219.08008	2.8
219.10147	5.7
221.05946	2.2
221.11688	1.0
222.06696	1.8
223.07474	4.2
223.11124	2.2
225.05431	2.4
225.09120	1.7
226.06248	2.0
227.07005	3.4
228.07668	1.1
229.08531	0.9
230.09341	1.1
233.09593	1.8
233.11700	0.9
234.06859	1.2
235.07510	3.8
236.08260	5.0
237.05472	2.6
237.08969	2.6
238.06284	7.7
239.07005	3.1
240.04156	0.8
240.07814	1.0
241.04930	4.2
241.08635	1.9
242.05759	1.1
243.06522	0.9
247.07408	3.6
248.08289	1.8
249.05441	3.7
249.09044	1.5
249.11351	0.9
250.06242	1.3
250.09816	1.1
251.07042	3.4
251.10715	2.6
252.07768	1.7
253.04881	1.1
253.08568	5.5
254.05763	2.0
254.09224	0.9
255.06551	3.7
255.10074	1.2
256.07236	2.0
257.04379	3.8
261.09180	2.5
263.06967	5.3
264.07813	9.9
265.04974	1.0
265.08527	5.0
266.05719	8.3
266.08847	1.3
267.06412	2.3
267.10153	2.0
268.07172	1.6
269.04504	9.9
269.07590	1.6
270.04959	1.7
271.06104	4.0
275.07028	2.4
276.07727	1.7
277.05182	0.8
277.08557	3.2
278.05737	0.9
278.09390	0.8
279.06577	2.9
279.10172	14.4
280.07300	1.0
280.10596	1.6
281.04828	1.0
281.08115	11.5
281.11328	1.1
282.08643	1.2
283.05911	3.1
283.09537	1.9
284.06781	46.2
285.07291	6.1
291.06677	3.7
291.09747	1.3
292.07294	7.1
293.04865	1.2
293.07874	4.8
294.05234	7.7
294.08804	1.9
295.05963	10.8
295.09634	2.7
295.12823	1.1
296.10443	2.1
297.04141	1.7
297.07544	2.6
297.11127	0.9
298.08350	1.8
299.05646	2.0
299.09079	18.1
300.06290	1.2
300.09506	1.5
301.06888	1.8
305.07959	2.1
306.08731	3.6
307.06116	2.5
307.09601	34.1
308.06775	1.6
308.10089	4.1
309.07526	15.3
309.11194	3.6
311.05582	0.9
311.08990	3.0
311.12640	1.6
311.20108	1.9
312.06223	18.0
312.09711	1.6
313.06842	2.4
313.10696	4.2
314.07782	1.3
315.08636	1.7
319.09738	1.4
322.08331	7.7
323.09116	6.6
323.12558	1.7
324.06351	1.8
324.09891	10.8
325.06873	1.2
325.10492	2.5
327.08612	100.0
328.08936	9.4
329.10205	0.9
337.10699	11.5
338.11334	4.4
339.08533	5.6
339.12219	28.9
340.12772	1.8
341.14078	2.0
343.11646	2.6
345.09650	0.9
354.10934	3.2
355.11655	4.2
355.15479	3.8
356.16318	0.9
357.13260	1.3
369.13306	56.0
370.13641	6.0
387.14017	10.5
387.18134	2.9
387.22137	1.6
388.14838	1.2
388.20825	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31376	0.9
55.01887	1.0
57.03436	1.2
59.04992	1.2
69.07040	1.3
69.32618	4.9
69.33020	2.3
73.80634	1.0
91.05499	1.1
93.07044	2.3
98.22630	1.7
105.07022	2.0
107.08642	1.0
115.05452	1.2
117.02228	0.9
121.06564	1.1
127.07651	0.9
129.39389	0.9
137.05998	4.8
139.05399	1.2
141.07019	1.6
143.08562	1.0
145.06490	1.7
151.03900	1.5
152.06227	2.1
153.07043	2.8
155.04932	1.0
157.06552	1.3
159.04456	1.2
159.08089	2.1
161.05922	1.2
165.05588	1.6
165.07025	7.1
166.07796	1.6
167.07045	5.2
167.08568	2.9
168.05725	1.2
169.06467	2.5
169.10074	1.1
171.08089	1.6
173.05945	1.7
174.06741	1.6
178.07698	1.8
179.08485	5.1
181.05019	1.9
181.06519	5.0
181.08589	2.2
181.10124	2.4
182.07253	7.2
183.08014	2.9
184.05223	1.6
184.08730	1.5
185.05920	2.3
187.07578	1.2
187.12964	1.1
189.06950	1.4
190.07799	1.9
191.08534	2.4
192.05684	1.4
193.06471	2.5
194.07249	4.8
195.08086	5.4
196.05167	1.3
196.08713	1.2
197.06021	5.2
197.09596	3.8
198.06802	1.8
199.07573	2.0
200.25978	1.0
201.51822	1.1
203.06929	2.5
204.07840	1.5
205.06575	2.4
206.07227	1.2
207.06384	1.1
207.07964	5.5
208.08810	4.5
209.05965	3.2
209.09502	5.3
210.06731	10.7
210.10133	1.8
211.07545	10.3
212.04692	2.2
212.08200	2.4
213.05476	6.7
213.09128	1.9
214.06242	2.5
215.06895	2.1
218.07346	3.3
219.08005	5.5
220.05197	1.7
220.08740	2.8
221.05925	6.0
221.09669	2.4
222.06735	3.8
222.10185	1.2
223.03929	1.4
223.07475	7.6
223.11159	2.3
224.04721	2.1
224.08286	5.1
225.05615	5.1
225.09119	11.8
226.06236	7.6
227.07039	7.7
227.10703	1.3
228.04070	1.5
228.07816	2.2
229.04881	2.8
230.09520	1.1
232.08815	1.3
233.06021	1.3
233.09622	4.3
233.11679	1.2
234.06789	2.1
235.07550	9.9
235.11243	1.7
236.08218	7.3
237.05453	3.5
237.09091	11.6
238.06206	10.5
238.09810	2.3
239.07011	10.2
239.10640	3.6
240.04126	2.5
240.07730	6.8
241.04994	6.7
241.08624	4.9
242.05696	3.2
243.06543	6.1
243.10190	1.1
244.07214	1.6
246.06693	1.4
247.07520	5.3
248.08311	3.4
249.05550	5.2
249.09224	6.5
250.06175	4.0
250.09903	5.5
251.07036	10.1
251.10652	4.3
252.04163	2.4
252.07788	10.2
252.10271	1.2
252.11342	1.2
253.05106	7.0
253.08572	16.8
254.05782	7.2
254.09357	4.9
255.06531	11.1
255.10028	6.1
256.03958	1.1
256.07263	7.4
257.04492	4.5
257.08160	4.9
258.05179	1.6
261.09119	6.0
262.09796	1.5
263.07007	8.6
263.10666	3.0
264.07800	11.6
264.10742	1.7
265.05020	2.9
265.08597	15.3
265.11893	1.9
266.05743	8.7
266.09268	4.1
267.06628	9.4
267.10013	11.2
268.07300	10.4
268.10294	1.9
269.04706	6.3
269.08105	9.2
269.11588	2.6
270.05115	3.4
270.08759	4.2
271.02808	1.3
271.06018	15.5
271.09677	3.2
272.03577	1.1
272.06769	4.4
273.07520	3.2
275.07178	1.7
276.07764	2.6
277.08597	6.2
278.06085	1.6
278.09348	9.7
279.06558	4.4
279.10153	10.8
280.03723	2.0
280.07285	4.6
280.10910	3.8
281.04813	1.8
281.08081	28.1
281.11642	4.4
282.05258	2.7
282.08743	6.4
283.06006	8.7
283.09650	19.6
284.06796	23.9
284.09836	1.4
285.07516	15.8
285.11154	6.6
286.04684	5.7
286.07846	1.8
287.05563	3.8
287.09149	6.0
291.06500	5.0
291.10165	4.7
292.07330	3.6
292.10886	1.9
293.08041	10.6
293.11691	7.6
294.08884	4.1
294.12076	1.2
295.06012	6.4
295.09665	22.6
295.13193	4.2
296.06720	3.6
296.10254	4.1
297.07565	8.0
297.11154	4.2
298.04977	1.6
298.08273	7.3
299.05515	9.9
299.09103	20.6
299.12296	1.3
300.06268	3.1
300.09616	2.3
301.07166	13.3
301.10468	2.1
302.07654	2.5
303.08624	2.8
304.09683	2.0
305.08133	2.6
306.08868	5.3
307.06097	1.4
307.09573	19.3
308.10217	6.8
309.07553	9.2
309.11246	13.2
310.08209	2.1
311.05844	1.1
311.09140	26.5
311.12613	3.0
312.06274	5.7
312.09811	7.2
313.07019	14.4
313.10703	33.5
314.07825	18.3
314.11185	2.9
315.04950	3.4
315.08557	9.3
316.09421	2.2
317.10126	2.8
318.10956	3.1
319.09622	3.6
320.10565	1.5
321.07703	2.1
321.11154	13.7
322.08325	6.5
322.11575	2.4
323.09103	4.1
323.12711	8.5
324.06461	1.9
324.09943	8.8
324.13531	2.5
325.10657	11.7
325.14157	1.8
326.07742	1.5
326.11313	1.9
327.08621	100.0
327.11948	4.8
328.09241	16.5
329.10312	2.8
330.07336	3.5
330.10892	2.3
331.11783	4.9
336.09866	3.6
337.10703	34.6
338.11096	6.3
339.08621	4.0
339.12247	41.0
340.12772	5.9
341.13763	3.1
343.11777	36.0
344.12213	3.0
345.09665	17.3
345.13379	4.2
346.09967	1.5
351.12259	13.0
354.10950	4.5
355.11630	14.8
355.15463	20.0
356.16129	5.9
357.13004	1.5
369.13306	43.7
370.13699	3.8
372.15695	1.3
387.14108	11.5
387.18118	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50405	0.2
55.05531	0.3
56.96561	0.4
57.24261	0.3
62.78691	0.2
70.06616	0.5
84.08111	0.3
85.02915	0.6
95.10041	0.3
98.23455	0.5
100.11264	1.5
107.04974	1.2
115.32064	0.3
116.98650	0.5
144.08084	2.8
151.07611	0.3
161.10777	0.4
179.00069	0.3
203.05312	0.5
207.10158	0.4
209.16418	0.4
225.00826	0.3
225.07346	9.0
225.11023	0.9
226.07512	0.6
227.17526	1.8
228.60420	0.3
254.98264	0.3
279.01825	0.3
299.02542	0.4
327.01877	0.9
343.13034	0.4
345.02853	0.8
387.16330	100.0
388.16580	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.5
55.01867	3.3
55.05510	5.5
57.07080	3.1
65.03945	2.9
67.05512	7.7
69.03426	11.5
69.07066	2.9
71.04997	13.7
71.29145	3.1
79.05498	17.0
81.03428	2.3
81.07059	51.0
81.69429	2.0
84.19029	1.8
84.39735	2.1
85.06561	3.7
87.71502	2.0
91.05482	38.1
93.07043	49.8
93.07626	3.1
95.04961	10.6
95.08621	7.6
97.02894	20.3
97.06541	8.9
98.75684	1.9
99.04451	37.0
103.05446	3.5
105.07037	82.7
107.04963	5.1
107.08596	24.5
109.06508	11.6
109.10155	4.6
111.04440	6.3
111.08074	22.4
115.05487	2.7
117.07049	4.1
119.04951	5.4
119.08562	12.2
121.06519	8.7
123.04435	7.0
123.08076	4.7
125.06023	3.5
128.06227	5.3
131.04906	3.1
131.08566	6.4
133.06483	8.4
133.10127	97.5
134.10471	3.1
135.11705	6.3
137.05980	28.9
139.03900	100.0
140.04256	3.2
143.08559	14.4
145.06459	4.2
145.10133	6.5
146.07274	4.3
147.08008	4.2
147.11749	2.4
149.05971	2.6
149.09558	2.1
151.07562	6.6
151.11188	12.3
155.03433	3.0
161.05963	5.2
161.09624	91.4
162.10010	4.6
163.03990	3.5
163.11186	19.3
167.07050	5.9
171.07986	3.4
173.06012	2.4
174.06731	4.9
175.07520	4.7
179.10703	42.1
180.11008	3.2
181.05060	2.2
189.09111	38.5
201.09161	5.4
203.10538	2.6
207.10194	15.7
207.13861	5.1
219.10158	11.8
225.11235	37.0
231.10101	5.5
243.10172	5.1
248.27338	2.5
325.10852	2.8
351.12393	3.6
387.14188	7.3
387.18735	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.6
55.01872	4.6
55.05512	7.2
57.03446	5.8
58.96373	2.3
61.02927	5.5
65.03931	3.6
67.05499	8.2
69.03436	19.5
70.65850	5.7
71.04987	8.2
71.09370	3.0
73.02909	2.7
77.03469	2.5
77.03919	2.9
78.91749	2.2
79.05498	19.3
81.03406	5.4
81.07053	30.5
83.05000	2.8
85.02904	45.1
85.06557	5.6
87.04452	3.4
91.05479	29.9
93.07041	25.9
95.04975	12.0
95.08615	8.3
97.02874	22.2
97.06541	5.4
99.04453	22.3
100.80533	2.4
103.05483	3.7
105.07030	48.5
107.04967	4.8
107.08582	22.9
109.02908	4.1
109.06532	11.5
109.10162	5.2
111.08081	10.6
117.06998	6.2
119.04889	3.5
119.08578	16.2
121.06517	8.6
121.10133	14.7
122.03625	4.3
123.04393	3.3
123.08067	17.7
123.11682	3.2
125.06011	5.4
127.03899	12.3
128.06245	3.7
131.08568	8.4
133.06534	7.4
133.10118	54.6
135.08130	2.9
135.11691	6.1
137.05972	40.1
137.09618	11.4
139.03891	7.5
143.08551	9.0
143.23811	2.5
145.04967	10.3
145.06343	2.3
145.10136	12.5
147.08063	3.9
147.11688	5.2
149.09610	6.3
151.03964	6.3
151.07539	27.8
151.11168	7.5
159.08035	2.7
161.09613	49.3
161.13263	4.6
162.10072	3.9
163.03856	3.0
163.11183	100.0
165.09116	10.1
167.07024	9.3
171.08008	2.7
171.11664	2.7
173.05936	2.9
175.07550	3.5
179.10672	29.2
180.03183	2.6
181.04936	5.1
181.08626	2.9
181.12216	22.4
189.09108	18.4
189.12730	14.6
189.73264	2.4
191.14195	3.3
201.09190	3.0
207.10155	11.2
207.13786	44.7
225.11212	20.4
225.14851	9.0
233.08076	3.5
236.09251	3.5
307.09402	2.5
332.34753	2.6
387.14343	11.9
387.19800	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.5
55.01867	3.3
55.05510	5.5
57.07080	3.1
65.03945	2.9
67.05512	7.7
69.03426	11.5
69.07066	2.9
71.04997	13.7
71.29145	3.1
79.05498	17.0
81.03428	2.3
81.07059	51.0
81.69429	2.0
84.19029	1.8
84.39735	2.1
85.06561	3.7
87.71502	2.0
91.05482	38.1
93.07043	49.8
93.07626	3.1
95.04961	10.6
95.08621	7.6
97.02894	20.3
97.06541	8.9
98.75684	1.9
99.04451	37.0
103.05446	3.5
105.07037	82.7
107.04963	5.1
107.08596	24.5
109.06508	11.6
109.10155	4.6
111.04440	6.3
111.08074	22.4
115.05487	2.7
117.07049	4.1
119.04951	5.4
119.08562	12.2
121.06519	8.7
123.04435	7.0
123.08076	4.7
125.06023	3.5
128.06227	5.3
131.04906	3.1
131.08566	6.4
133.06483	8.4
133.10127	97.5
134.10471	3.1
135.11705	6.3
137.05980	28.9
139.03900	100.0
140.04256	3.2
143.08559	14.4
145.06459	4.2
145.10133	6.5
146.07274	4.3
147.08008	4.2
147.11749	2.4
149.05971	2.6
149.09558	2.1
151.07562	6.6
151.11188	12.3
155.03433	3.0
161.05963	5.2
161.09624	91.4
162.10010	4.6
163.03990	3.5
163.11186	19.3
167.07050	5.9
171.07986	3.4
173.06012	2.4
174.06731	4.9
175.07520	4.7
179.10703	42.1
180.11008	3.2
181.05060	2.2
189.09111	38.5
201.09161	5.4
203.10538	2.6
207.10194	15.7
207.13861	5.1
219.10158	11.8
225.11235	37.0
231.10101	5.5
243.10172	5.1
248.27338	2.5
325.10852	2.8
351.12393	3.6
387.14188	7.3
387.18735	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1801
Annotation	(+)-Gomisin M2
Peak:m/z	Relative Intensity
54.41866	0.5
56.05591	0.6
58.23800	0.6
59.20718	0.7
69.11658	4.9
72.33703	0.6
85.02905	0.9
88.91239	1.0
99.04461	1.7
101.67571	0.5
114.41583	0.6
114.48096	0.6
123.52681	0.6
124.89702	0.7
165.07050	1.1
173.09644	1.1
174.02274	0.6
175.07634	1.0
175.11281	0.8
178.07794	0.8
179.08546	0.9
193.10098	0.7
195.08073	1.2
197.09654	1.1
202.09906	0.7
203.08603	0.9
208.08994	0.8
209.06041	1.0
209.09628	3.2
210.06787	2.2
211.07562	1.9
211.11101	0.8
213.05576	1.5
219.08054	1.4
220.08861	2.2
221.09660	2.0
222.06842	0.8
223.07541	2.3
223.11160	1.1
224.08324	1.1
225.05269	0.7
225.09096	2.6
226.06284	1.5
227.07088	2.2
229.05017	0.8
229.08690	0.8
233.09698	1.6
234.10429	1.6
235.07666	1.1
235.11162	2.9
236.08279	1.2
236.11826	1.0
237.05319	0.8
237.09100	8.0
237.12807	1.4
238.06374	2.2
238.09903	1.8
239.07031	2.2
239.10704	1.9
240.07686	1.5
241.05040	2.5
241.08543	1.0
241.12117	1.4
242.05692	0.9
243.06483	1.6
247.07486	1.1
248.08261	3.4
249.09119	5.4
249.12865	1.0
250.06316	1.1
250.09857	2.6
251.07010	2.1
251.10643	4.2
252.07841	1.0
252.11441	4.8
253.08694	5.0
253.12231	2.4
254.05721	0.9
254.09238	1.6
255.06552	2.6
255.10156	1.9
256.07153	4.4
257.05609	0.7
257.08038	4.6
259.06152	1.0
261.09030	0.9
262.09854	1.4
263.07123	1.5
263.10629	7.6
264.07788	0.7
264.11435	3.5
265.08633	10.7
265.12198	4.2
266.06216	0.7
266.09265	3.3
266.12866	1.3
267.06714	3.0
267.10034	3.3
267.13870	2.3
269.08362	1.3
269.11774	4.4
270.08829	1.1
271.09479	3.4
273.07272	0.7
277.08594	5.3
277.12039	1.4
278.05957	0.7
278.09271	2.5
279.07025	1.1
279.10147	3.8
279.13278	1.0
280.10898	11.1
281.08167	3.7
281.11737	10.7
282.08731	2.1
282.12036	1.5
283.06100	1.1
283.09583	2.1
284.06775	2.4
285.07590	11.1
285.10880	1.5
286.08267	1.2
287.09146	0.8
291.10233	5.2
292.10986	2.0
293.08105	6.9
293.11713	7.0
294.08826	2.7
294.12555	2.2
295.09634	2.6
295.13235	18.3
296.10764	0.9
296.13742	3.1
297.11215	7.1
298.08508	1.2
298.11865	1.8
299.09088	8.2
300.09851	5.6
301.10593	1.0
302.07864	1.5
305.11862	0.8
306.12497	0.9
307.09549	2.4
307.13095	1.4
308.10474	7.4
309.11249	16.0
309.14813	2.4
310.08463	1.2
310.11868	3.2
311.09171	1.7
312.13477	6.3
313.10635	2.7
313.14249	1.8
314.11414	7.9
317.10220	3.4
318.10980	1.3
322.12067	1.4
323.12769	19.5
324.13559	12.0
325.10669	3.9
325.14288	7.2
326.11417	1.8
327.15912	7.5
328.16507	1.0
331.11829	1.3
337.14362	3.8
338.15097	0.7
340.13019	5.4
341.13794	18.2
341.17722	1.4
342.14142	1.5
345.13483	1.9
354.14600	0.7
355.15399	100.0
356.16135	80.8
357.16666	6.1
359.18500	1.5
369.17096	1.2
372.15561	1.9
387.18011	45.7
388.18542	4.1
393.19052	0.8
396.79352	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1802
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
53.03954	0.9
55.01862	0.5
55.05488	0.2
57.03428	0.2
65.03615	0.3
65.03943	3.9
66.04712	0.4
67.01879	0.2
67.05502	2.2
68.99774	0.3
69.03423	0.4
69.07061	0.3
70.89404	0.4
71.01358	0.2
72.68839	0.2
77.03917	0.3
78.04710	0.2
78.22803	0.2
78.64284	0.1
79.05488	2.2
81.03387	0.5
81.07044	0.6
82.03792	0.2
82.04204	2.4
83.04971	0.3
85.02889	0.4
91.05466	0.7
92.02617	0.4
92.24181	0.2
93.03398	2.0
93.07040	0.3
93.22289	0.2
94.04192	0.9
95.04986	1.3
95.08614	0.4
97.06506	1.0
99.04457	0.4
103.05465	0.5
104.06283	0.2
105.03361	0.2
105.04519	0.3
105.07017	0.8
106.95693	0.2
107.04944	0.7
107.08614	0.2
108.02086	0.6
108.05708	0.3
109.02859	0.3
109.06506	0.9
110.03658	2.3
111.04433	0.7
114.52412	0.2
115.05428	0.5
117.07014	0.3
118.04220	0.2
119.04973	0.2
119.08567	0.2
120.02085	0.8
121.02869	0.3
121.04002	0.2
121.06487	0.5
122.03614	0.9
123.00777	0.6
124.05196	0.4
125.05130	0.3
125.06003	3.8
125.06922	0.2
127.03912	0.3
128.06235	0.4
129.07025	1.3
131.04985	0.2
131.08553	0.6
133.06494	0.6
133.10089	0.2
134.07216	0.2
135.04440	0.3
135.07999	0.3
136.05220	0.2
137.02382	1.1
137.03226	0.2
137.05972	1.0
138.03119	5.0
139.03903	0.4
139.07573	0.9
141.05457	0.2
143.08565	0.2
144.05679	0.2
145.06508	0.4
146.07271	0.9
147.04422	0.2
147.08089	0.8
148.01509	0.4
149.05988	0.6
150.06757	1.6
151.03871	0.5
151.07542	3.2
152.07707	0.2
153.05438	0.4
155.07059	1.1
157.06512	0.6
158.07262	0.5
159.04370	0.3
159.08047	0.7
160.05174	0.3
160.08743	0.2
161.05995	0.5
161.09624	2.8
163.07422	0.3
165.05475	32.6
165.09122	5.6
166.02628	2.1
166.05785	1.4
167.07047	1.3
170.02098	1.4
171.06526	11.2
171.07880	0.3
172.06844	0.5
173.05942	0.3
174.06802	1.8
174.10420	0.6
175.07562	1.4
176.08195	0.3
177.05466	1.9
177.09161	0.3
178.06200	0.2
179.10765	0.2
181.04951	100.0
182.05304	4.1
184.03664	0.5
187.07507	0.4
188.08322	0.4
189.09097	7.5
190.06252	0.3
190.09761	0.7
191.07018	0.8
191.10754	0.2
192.07796	3.1
193.08488	0.6
193.12157	0.3
195.06499	0.4
197.05977	0.2
199.07510	0.2
202.09833	0.2
203.07002	0.3
205.08543	0.4
205.12251	2.9
206.09338	0.5
207.06506	0.4
207.10156	2.8
208.10507	0.3
209.08041	0.4
216.07799	0.2
217.08612	3.9
218.09274	0.7
219.06409	0.3
219.10010	0.4
220.22165	0.2
221.11722	7.7
222.12047	0.5
225.08878	0.2
231.10248	0.4
233.11729	2.4
234.08952	0.3
235.09483	0.3
241.04985	0.2
249.11221	6.7
250.11673	0.5
253.08627	0.3
256.07416	0.2
263.10632	0.5
264.07675	0.2
265.08896	0.2
271.09576	0.2
279.10052	0.3
280.10883	0.2
281.08041	0.2
283.09616	0.3
284.06693	0.2
285.07587	0.3
291.10214	0.8
294.12357	0.2
298.11725	0.2
299.09088	0.7
299.12268	0.2
300.09787	0.3
301.06650	0.2
305.11597	0.5
306.12357	1.0
307.09476	0.3
308.10342	0.2
309.14719	0.3
313.10583	0.4
313.14490	0.2
314.11682	0.3
315.08640	0.4
315.12054	0.2
322.11935	0.5
323.12680	0.8
328.12851	0.4
331.12064	0.4
337.14355	0.9
338.14999	0.4
339.12283	0.4
343.15424	0.2
354.14624	0.4
355.15308	0.7
356.16010	0.2
357.12997	0.2
369.16940	1.1
372.15573	0.3
387.18005	22.4
388.18353	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1799
Annotation	Kadsuralignan H
Peak:m/z	Relative Intensity
51.06643	0.9
53.03948	1.2
55.05505	3.7
57.07080	1.6
61.40931	1.0
65.03938	1.2
67.05499	3.5
69.02655	10.0
69.07061	4.4
79.05487	4.5
81.07061	8.3
82.04279	0.9
83.04959	1.9
83.08631	1.2
88.39288	1.0
91.05473	3.5
93.07029	2.7
94.04188	1.1
95.04967	1.6
95.08613	4.1
95.67678	1.0
98.22606	1.6
105.07034	3.2
107.04967	2.1
107.08576	2.4
109.06474	2.5
109.10161	2.6
111.04417	3.0
117.07000	1.9
119.08557	2.0
123.08065	1.5
123.11652	1.9
125.06007	1.3
129.06955	1.2
131.08572	4.2
133.10139	1.8
135.08063	3.0
137.05991	3.8
139.03917	1.4
139.07556	2.6
141.06990	1.4
145.10170	2.6
147.11722	1.8
149.09595	4.0
151.03929	11.3
151.05020	1.4
151.07504	7.0
153.05551	1.1
153.06981	1.9
153.46011	1.3
155.08583	2.6
157.06529	3.0
158.07326	1.5
159.08072	4.8
159.11623	1.3
161.06010	1.7
161.09607	1.9
162.06700	2.0
163.11201	1.9
165.05487	23.0
165.06979	6.7
165.09120	2.4
165.89670	1.2
166.07610	1.3
167.07048	10.0
167.08420	2.2
168.05714	1.7
169.06461	1.5
169.10109	1.4
171.06595	1.7
171.08054	2.3
173.09683	3.0
175.07504	2.4
176.08325	3.8
177.07471	2.0
177.09103	31.4
178.09453	1.4
179.08569	3.0
181.04982	21.1
181.06487	3.1
181.08517	1.8
182.05493	1.1
182.07300	2.8
183.08066	4.1
185.06018	1.4
187.07550	3.0
187.11093	1.5
188.08212	1.5
191.07022	1.4
191.08740	1.9
191.10654	19.5
193.06528	3.0
193.10049	1.6
195.06502	1.8
195.08145	2.9
196.05193	3.3
196.08899	1.2
197.05981	5.0
197.09610	4.2
199.07635	2.4
200.04752	1.4
201.09094	2.1
202.09871	2.5
203.07007	1.3
203.08672	1.5
203.10590	1.8
205.06618	1.2
205.10318	2.5
205.12135	10.7
207.08051	2.8
207.11728	1.3
209.06020	2.2
209.09599	3.0
210.06755	11.4
211.04181	1.3
211.07512	12.0
212.04747	1.4
212.08119	2.2
213.05435	5.7
213.08974	1.5
214.06116	1.6
215.07031	2.0
219.08066	3.0
219.10159	3.5
219.13753	1.5
220.08810	3.5
221.05991	2.1
221.09575	4.1
222.06769	1.7
223.07504	2.5
223.11230	1.6
224.04703	2.7
224.08231	3.5
225.05501	5.7
225.09053	10.5
226.06197	5.5
226.09663	1.9
227.06982	8.1
228.04262	1.5
228.07753	2.2
229.04926	2.2
233.09541	2.8
233.11786	3.0
234.06674	2.4
234.10371	2.6
235.07530	3.2
235.11205	5.9
237.05460	3.1
237.09085	10.5
238.06233	3.9
238.09695	1.2
239.07022	12.8
239.10606	2.3
240.04102	1.7
240.07726	4.7
241.04958	9.9
241.08551	4.5
242.05661	5.0
242.09338	2.9
243.06493	10.5
244.07219	1.3
245.04388	1.5
247.07602	2.4
248.08316	8.1
249.09010	8.4
250.09874	3.2
251.07103	6.0
251.10652	4.6
252.07776	3.5
252.11395	3.5
253.05032	1.7
253.08615	12.2
253.12230	2.7
254.05710	2.0
254.09355	4.9
255.06532	9.5
255.10052	3.1
256.07254	14.3
257.04343	2.1
257.08023	6.4
258.08823	2.5
259.06003	3.1
262.09732	2.1
263.07144	1.8
263.07706	2.0
263.10645	15.7
264.07956	2.0
264.11279	4.3
265.08597	18.2
265.12140	2.3
266.05847	2.3
266.09207	5.5
267.06543	9.0
267.10028	2.1
267.13824	2.2
268.07217	3.0
269.04462	2.9
269.08029	4.1
269.11633	1.8
270.05261	3.4
270.08908	6.1
271.06024	5.1
271.09622	10.1
272.06973	5.7
272.09827	1.3
273.07361	2.8
276.07913	2.2
277.08609	10.2
278.05869	1.4
278.09357	3.2
279.06918	2.0
279.10159	7.0
280.07574	2.5
280.10925	11.4
281.08124	7.5
281.11670	8.8
282.05850	1.2
282.08759	5.3
283.05963	4.6
283.09387	2.4
284.06854	9.6
284.09982	1.9
285.07556	5.8
285.11237	6.5
286.08301	3.1
287.05615	2.7
287.09131	6.7
288.06259	2.5
289.07104	2.6
291.10193	8.4
292.10739	5.8
293.08078	8.0
293.11685	4.6
294.08829	7.1
294.12027	1.9
295.06372	1.3
295.09659	4.9
295.13300	21.4
296.13788	4.3
297.07617	2.9
297.11194	7.2
297.14331	2.1
298.08337	5.9
298.11618	2.4
299.09177	26.0
299.12576	1.5
300.09695	8.0
301.07059	4.7
301.10645	3.0
302.07877	5.9
303.08527	8.6
304.09375	4.4
307.09604	3.2
308.10464	7.9
309.07764	1.5
309.11163	18.5
310.08487	2.0
310.11908	2.2
311.09131	4.2
311.12589	1.9
312.09995	1.7
312.13510	3.7
313.10675	21.7
313.14142	2.5
314.11319	6.3
315.08572	4.4
316.09442	4.3
317.10233	13.8
318.10919	21.0
319.11755	3.1
323.12750	45.7
324.13412	15.9
325.10727	9.6
325.14310	3.7
326.11261	2.3
327.12247	3.7
327.15948	8.3
329.10254	2.4
330.10797	2.7
331.11728	23.4
332.12354	3.3
337.14337	2.1
338.15125	7.5
339.12320	3.0
340.13052	8.5
341.13840	8.3
343.11868	2.0
344.12466	3.3
345.13309	26.4
346.13577	2.2
355.15387	100.0
356.16019	29.2
357.12878	5.8
357.17014	2.1
358.14053	3.0
359.14859	3.0
372.12094	1.7
372.15842	10.7
387.18018	97.7
387.28864	4.7
388.18289	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1801
Annotation	(+)-Gomisin M2
Peak:m/z	Relative Intensity
69.07085	0.9
71.31628	1.0
72.28844	0.7
79.05518	0.9
81.07057	1.7
91.05492	1.4
105.07019	1.2
121.06523	0.9
129.06995	1.4
131.08589	1.3
135.08104	0.7
137.06035	0.9
139.07538	0.9
145.06493	1.3
145.10139	1.0
159.08038	1.8
165.07021	1.9
167.07060	2.4
168.05688	0.9
171.08098	1.0
173.09673	0.9
176.08221	0.8
181.06485	2.0
181.08638	0.8
181.10110	1.0
182.07292	1.9
183.04315	0.8
183.08093	1.5
186.95418	1.0
187.07549	1.4
191.10719	2.3
193.10234	1.2
194.07307	0.8
196.05251	1.5
197.05986	2.2
199.04060	0.8
199.07553	2.8
205.06491	1.2
208.05208	1.0
208.08856	0.9
209.05959	1.7
209.09715	2.3
210.06776	2.7
211.03961	1.0
211.07556	6.2
212.08218	1.4
213.05472	4.5
213.09071	1.0
215.06987	2.1
219.08069	1.9
219.10208	2.1
220.08783	1.9
221.09721	1.8
222.10223	0.7
223.07507	2.5
223.11116	0.9
224.04726	1.4
224.08328	2.6
225.05481	1.9
225.09103	4.5
226.06274	2.8
226.09839	1.4
227.07028	6.9
227.10559	1.0
228.07800	3.2
229.05029	3.7
229.08537	0.9
230.01982	0.9
234.10516	0.9
235.07506	2.2
235.11223	2.8
236.08328	1.7
236.11929	1.2
237.05519	1.8
237.09102	5.7
238.06232	2.7
239.07037	6.3
239.10741	2.2
240.07793	2.6
241.05042	3.1
241.08562	1.9
241.12183	1.1
242.05746	1.8
242.09409	4.4
243.06546	8.2
243.10353	1.0
244.07172	1.2
247.07587	1.2
248.08238	3.9
249.05603	0.8
249.09024	5.1
250.09895	1.2
251.07161	3.2
251.10568	4.1
252.07774	3.5
252.11444	3.8
253.08577	8.7
254.05753	1.2
254.09247	1.2
255.06535	3.9
256.07333	8.3
257.08017	3.9
258.08810	1.3
259.06104	1.6
260.06717	1.0
262.09891	1.5
263.10687	7.0
264.07822	1.3
264.11325	3.0
265.08636	12.8
265.12085	2.0
266.05838	1.3
266.09314	3.8
267.06546	11.4
267.10190	4.3
267.13834	3.9
268.07407	1.9
268.10474	1.4
269.04651	1.0
269.08072	1.9
269.11679	2.5
270.05881	1.6
270.08911	6.6
271.06119	2.4
271.09665	7.8
272.06812	2.4
272.09659	0.9
273.04102	0.8
273.07571	3.0
275.09247	1.6
276.07654	1.0
277.08646	3.9
277.12067	1.7
278.09454	1.1
279.07034	1.5
279.10181	6.1
280.10898	9.6
281.08133	10.3
281.11725	7.6
282.08810	4.8
283.05914	1.8
283.09613	1.2
284.06848	2.5
284.10303	1.0
285.07626	7.8
285.11215	7.4
286.08148	1.9
287.05984	0.9
287.09158	3.2
288.06223	1.4
289.07117	3.0
291.10025	3.8
292.10919	2.2
293.08118	7.2
293.11713	2.3
294.08917	2.0
294.12518	2.4
295.09784	2.6
295.13217	18.3
295.16397	1.3
296.10583	0.9
296.13855	3.5
297.07773	1.4
297.11276	5.5
297.14163	0.8
298.08289	2.4
298.11578	1.6
299.09149	18.0
300.09814	2.5
301.07068	2.8
301.10422	1.2
302.07855	2.8
303.08578	11.8
304.09366	15.2
307.09708	2.4
308.10333	6.6
309.11243	8.9
309.14932	3.6
310.08371	2.1
310.11951	1.9
311.09229	2.4
312.10217	1.3
312.13626	4.8
313.10712	22.3
313.14047	1.1
314.11261	2.6
315.08560	1.6
316.09341	4.3
317.10092	5.7
318.10989	11.0
319.11758	3.4
322.11853	1.5
323.12772	20.3
324.13467	8.8
325.10703	8.5
325.14346	2.3
326.11313	1.1
327.12302	1.5
327.15842	10.0
329.10022	1.8
330.10831	1.7
331.11740	15.5
332.12292	2.1
337.14325	2.9
339.12274	2.6
340.13177	4.4
341.13678	5.5
343.11670	1.5
345.13309	14.9
346.13696	1.8
347.87918	0.8
355.15399	100.0
356.15985	20.0
357.13287	2.6
357.17038	1.8
358.14066	1.5
359.14816	1.3
372.15594	5.1
387.18036	56.2
388.18320	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1802
Annotation	(+)-Gomisin M2
Peak:m/z	Relative Intensity
51.70744	0.6
52.99417	0.5
59.04984	0.6
64.87574	0.6
69.02819	3.9
69.03224	1.7
69.07032	2.2
79.05465	1.2
86.82874	0.7
91.05453	1.2
98.22581	0.9
107.04938	1.2
115.05361	0.6
118.31713	0.5
119.08583	0.6
124.05196	1.1
128.06200	0.9
131.08572	0.9
137.05882	0.8
139.07474	2.5
141.06981	1.2
144.05672	0.8
145.06425	0.9
152.06168	1.0
153.06941	0.9
154.07753	0.7
158.07272	1.2
159.08054	3.0
161.06000	0.7
161.70613	0.7
165.05559	0.8
165.06949	2.5
166.07690	0.8
167.07059	7.1
167.08456	0.9
168.05659	2.6
169.06454	1.3
169.10124	0.8
171.08054	0.7
173.05894	1.1
173.09709	0.9
174.06783	0.9
175.07480	0.7
179.08539	2.0
181.06459	2.5
181.08630	0.7
181.10248	1.0
181.34920	0.7
182.07272	3.2
183.04399	1.4
183.08040	3.4
185.05904	2.0
187.07491	2.0
188.08261	1.2
189.08946	0.7
191.08679	1.4
191.10524	1.5
192.09305	1.3
193.10014	0.9
194.07210	1.5
195.04314	0.7
195.07965	1.6
196.05164	4.3
196.08894	1.0
197.05896	4.1
197.09618	2.3
198.06717	2.2
199.07477	2.4
200.04597	1.5
200.08325	0.7
201.09070	1.3
202.07813	1.2
202.09694	0.7
205.06523	1.4
205.08394	1.1
205.10187	0.9
207.07990	0.9
208.05191	1.1
208.08675	1.0
209.05943	1.7
209.09563	2.9
210.06763	7.1
211.04100	1.0
211.07518	12.8
212.04604	1.1
212.08163	1.6
213.05452	5.8
213.09027	1.1
214.06192	1.8
215.06998	2.4
219.07994	3.0
219.10117	1.9
220.08888	3.6
220.10762	1.1
221.05927	1.4
221.09525	2.0
222.06676	2.2
222.10281	0.8
223.03825	1.3
223.07567	3.5
223.11169	1.7
224.04736	2.9
224.08307	2.7
225.05490	3.8
225.09113	10.3
226.06252	3.6
226.09724	1.4
227.07022	9.0
228.04279	1.3
228.07700	3.3
229.05002	6.4
229.08530	1.3
230.05498	0.9
231.06131	0.7
231.08269	1.1
233.05931	0.8
233.09567	1.5
234.06773	1.2
234.10339	1.7
235.07629	2.9
235.11211	4.4
236.08212	1.7
236.11862	0.9
237.05525	3.1
237.09085	8.3
237.12726	1.1
238.06221	6.1
238.09764	1.4
239.03365	1.1
239.07016	12.1
239.10623	2.6
240.04178	1.3
240.07693	2.2
241.04938	7.5
241.08438	3.6
241.12247	1.8
242.05605	3.5
242.09357	2.9
243.06526	7.9
243.10126	1.1
244.03641	0.6
244.07190	1.2
245.04431	1.3
245.09665	0.8
247.07487	2.7
247.11180	0.7
248.06042	0.8
248.08301	4.9
249.09106	6.6
250.06157	1.9
250.09738	2.8
251.07010	4.5
251.10638	4.5
252.04199	0.8
252.07784	4.5
252.11313	3.4
253.04987	4.0
253.08572	12.1
253.12184	1.8
254.05725	5.2
254.09293	2.9
255.06479	7.0
255.10078	3.0
256.03494	1.4
256.07248	9.3
257.04382	2.7
257.08041	7.3
257.10617	1.0
258.05161	2.1
258.08841	1.9
259.05905	4.4
260.06845	1.9
261.09140	1.4
262.09842	2.8
263.06870	1.0
263.10657	11.4
264.07745	2.6
264.11307	3.8
265.05545	1.0
265.08606	17.0
265.12076	2.2
266.05716	3.0
266.09256	6.0
266.12781	1.2
267.06506	15.7
267.10043	4.1
267.13754	2.4
268.04614	0.9
268.07196	4.6
269.04440	2.6
269.07962	3.4
269.11713	4.0
270.05624	1.2
270.08838	6.2
271.06024	6.2
271.09616	6.6
272.06680	4.2
272.09650	0.9
273.04190	1.3
273.07538	3.9
276.07739	1.7
277.08582	8.1
277.12006	1.1
278.09280	2.5
279.06592	2.1
279.10141	7.7
280.07355	2.3
280.10913	12.0
281.08069	13.6
281.11655	9.2
282.05469	1.5
282.08789	5.3
282.12106	1.0
283.06000	3.9
283.09595	2.7
284.06772	10.7
284.10358	2.0
285.04333	1.1
285.07526	12.8
285.11096	4.8
286.08231	2.1
287.05463	3.9
287.09116	6.6
288.06238	3.0
288.09668	0.7
289.07068	4.8
291.10132	8.6
292.10709	4.7
293.08035	9.6
293.11609	3.5
294.08734	4.1
294.12457	2.2
295.09692	3.4
295.13232	22.6
296.06976	0.9
296.10544	1.4
296.13837	4.7
296.17004	0.8
297.07516	3.0
297.11209	8.9
297.14539	1.3
298.08395	7.8
298.11615	1.1
299.09128	24.2
299.12604	1.3
300.03220	0.7
300.06311	3.5
300.09744	5.4
301.07016	4.0
301.10568	2.1
302.07877	5.0
303.08572	14.0
304.09387	17.4
304.12921	1.0
305.12000	1.2
306.12476	0.9
307.09634	4.0
308.10364	9.8
309.07974	0.5
309.11227	14.7
309.14810	2.0
310.08466	1.3
310.11740	2.7
311.09128	4.2
311.12518	1.1
312.09698	2.1
312.13531	6.0
313.06998	1.3
313.10687	25.6
313.13947	1.1
314.11285	4.1
314.78247	0.7
315.08591	9.7
316.09341	5.9
317.10153	12.1
318.10950	19.1
319.11591	5.7
322.12012	2.4
323.12753	39.6
324.09848	0.5
324.13397	11.0
325.10654	9.2
325.14343	3.3
326.11276	2.8
327.08759	0.7
327.12280	2.3
327.15921	9.2
328.16290	0.8
329.10208	1.4
330.10965	3.1
331.11740	23.0
332.12259	3.1
337.14285	1.4
338.15076	2.1
339.12241	2.3
340.13065	8.0
341.13770	9.9
341.17612	1.3
342.14081	1.0
343.11694	1.8
344.12546	3.2
345.13318	24.7
346.13644	2.9
355.15384	100.0
356.16058	35.0
357.12610	3.5
357.16644	2.8
358.14008	2.4
359.14883	2.7
369.17050	1.2
372.11536	0.6
372.15704	8.7
387.18005	86.9
388.18350	11.0
404.03296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
67.93234	0.8
69.07067	1.8
70.36090	1.4
70.36439	1.5
79.05494	1.2
83.29282	0.8
88.02443	0.8
91.05494	1.9
103.05469	1.3
105.07031	1.3
107.04987	1.3
109.06491	0.8
116.06278	1.0
117.07030	1.1
121.06532	0.9
122.03670	1.2
129.07030	1.0
131.04948	1.5
137.05965	13.9
139.07552	3.2
145.06467	1.5
151.03903	2.5
153.05600	0.8
153.06999	1.4
157.06567	1.0
159.08067	3.7
161.05916	0.9
165.07011	2.4
167.07040	6.1
167.08408	1.0
168.05722	2.6
169.06435	1.5
173.09645	1.4
175.07574	1.1
179.08492	1.5
181.05016	2.8
181.06546	2.2
182.07260	3.4
183.04407	1.2
183.08034	3.7
185.05997	1.5
187.07591	2.4
188.08130	1.2
191.07071	2.5
191.08650	1.4
191.10669	1.6
192.09346	1.5
193.10124	1.4
194.07231	1.3
195.08095	2.1
196.05215	3.5
197.05991	3.3
197.09689	2.0
198.06740	1.4
199.07582	2.3
199.65639	1.1
200.04677	1.4
201.09071	1.9
202.07889	1.5
203.08633	1.4
205.06483	1.5
205.08476	1.5
206.11011	1.0
207.08081	1.4
208.08916	1.0
209.05986	1.4
209.09660	3.9
210.06750	5.8
211.04137	1.0
211.07550	10.6
212.04698	1.6
212.08278	1.7
213.05510	5.5
213.09013	1.3
214.06374	1.6
215.07054	2.7
219.08125	3.1
219.10072	1.8
220.08806	3.0
221.05969	1.2
221.09706	2.3
222.06796	1.9
223.04021	1.1
223.07585	2.9
223.11188	1.4
224.04692	3.5
224.08350	3.3
225.05499	3.2
225.09102	10.9
226.06259	3.5
226.09608	2.1
227.06958	7.6
228.07811	3.6
229.04993	4.9
229.08594	1.5
230.05489	1.1
233.09642	1.9
233.11627	1.1
234.06589	1.3
234.10368	1.3
235.07555	2.2
235.11279	2.9
236.08321	2.4
237.05493	2.8
237.09117	7.8
238.06262	6.7
238.09821	2.0
239.07030	12.8
239.10771	2.3
240.07751	3.6
241.05025	8.7
241.08606	3.2
242.05719	2.7
242.09250	1.8
243.06558	5.9
243.10106	1.3
244.07352	2.3
245.04498	1.0
247.07579	2.9
248.08185	6.0
249.09140	7.0
250.06326	2.2
250.09706	1.9
251.06992	5.2
251.10635	4.2
252.07797	3.3
252.11424	2.8
253.05058	3.8
253.08577	12.7
253.12311	2.0
254.05840	2.7
254.09457	3.1
255.06575	6.6
255.09865	1.3
256.03653	1.8
256.07339	10.9
257.04608	1.5
257.08118	6.1
258.05231	1.8
258.08856	1.2
259.05972	4.9
261.09091	2.0
262.09839	2.5
263.07114	1.5
263.10699	10.9
264.07806	2.3
264.11432	3.3
265.08575	17.0
265.12415	1.6
266.05780	2.8
266.09335	5.2
267.06555	16.9
267.10062	3.5
267.13831	3.0
268.07126	4.8
269.04489	3.0
269.08029	3.6
269.11768	3.2
270.05331	1.4
270.08896	8.6
271.06302	6.0
271.09439	7.1
272.06805	2.8
272.09741	1.0
273.07562	3.0
275.06619	1.0
275.09296	1.2
276.07837	1.3
277.08572	6.3
278.06079	1.5
278.09363	2.3
279.06628	2.4
279.10193	7.4
280.07443	2.5
280.10968	10.8
281.08127	10.5
281.11719	8.5
282.05801	1.2
282.08917	4.1
283.06088	3.7
283.09418	1.9
284.06812	11.2
284.10007	1.6
285.07578	10.1
285.11246	4.5
286.08282	2.0
287.05557	3.0
287.09149	5.2
288.06290	2.7
289.06973	5.3
291.10135	7.4
292.07672	1.2
292.10736	5.1
293.08087	8.4
293.11661	3.8
294.08795	4.9
294.12125	1.6
295.06375	1.3
295.09689	3.5
295.13211	22.3
296.10577	1.1
296.13956	3.8
297.07587	3.2
297.11270	8.0
298.08386	9.1
298.11600	1.8
299.09116	23.7
299.12219	1.1
300.09729	5.9
301.07089	3.6
301.10657	2.7
302.07794	8.4
303.08588	11.3
304.09363	16.3
306.12671	1.7
307.09723	4.1
308.10400	11.3
309.11191	17.2
309.14853	2.0
310.08374	1.9
310.11844	2.5
311.09149	4.0
311.12540	1.3
312.10223	1.3
312.13452	5.0
313.07050	1.7
313.10687	24.8
313.14093	2.1
314.11197	5.1
315.08557	2.1
316.09293	6.0
317.10181	17.9
318.10938	17.2
319.11676	5.7
322.12088	2.8
323.12790	43.6
324.13464	13.4
325.10715	9.0
325.14261	4.5
326.11374	2.7
326.15073	1.4
327.12247	2.0
327.15939	9.1
329.10364	1.7
330.11035	3.3
331.11752	21.0
331.15509	1.5
332.12433	5.0
337.10620	1.5
337.14374	2.3
338.14865	2.8
339.12289	2.9
340.13074	7.7
341.13873	9.6
342.14331	1.3
343.12024	1.4
344.12619	2.7
345.13321	28.1
345.17392	2.0
346.13577	2.6
355.15378	100.0
356.16003	32.6
357.12845	6.2
357.16687	3.2
358.14096	3.8
359.14844	1.3
372.15677	9.5
373.16513	1.0
387.18057	95.5
388.18399	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	1.0
67.05457	1.3
69.07001	2.5
69.08397	5.3
79.05428	1.6
80.46615	0.5
81.06989	1.1
83.04993	3.2
85.02858	0.7
91.05414	2.3
93.06968	2.1
95.04913	0.9
95.08528	1.6
99.04379	0.8
105.06953	1.7
107.04938	1.4
109.06463	0.7
111.04346	1.3
111.08012	2.0
119.08546	1.2
124.05173	1.2
128.06187	0.9
129.06915	1.1
131.08478	1.1
137.05931	0.7
139.07507	4.6
143.04836	0.8
143.08484	1.6
145.06389	0.7
145.10028	0.9
152.06102	0.9
153.06961	1.4
154.07605	0.7
155.06880	0.7
155.08466	1.7
156.52838	0.6
157.06425	1.0
159.08104	3.1
161.05865	0.8
161.09537	0.9
165.05400	6.7
165.06908	3.4
166.07741	0.8
167.04875	0.7
167.06961	5.4
167.08517	1.4
168.05647	1.8
169.06396	1.6
169.10083	1.1
173.05966	1.2
173.09563	1.6
179.08504	2.1
181.04913	0.8
181.06415	1.7
181.08542	1.1
181.10016	1.6
182.07253	3.4
183.04366	1.5
183.08073	3.5
183.11568	0.7
184.05151	0.7
185.05925	1.7
187.07451	1.9
188.08183	1.3
189.05434	0.7
189.06921	0.7
189.08936	0.8
190.07590	0.8
191.08482	1.1
191.10608	1.5
192.09282	1.4
193.06367	0.7
193.10075	1.5
194.10847	0.7
195.08063	3.0
195.11697	0.7
196.05251	3.8
196.08739	1.2
197.05962	3.3
197.09636	2.9
198.06592	0.7
199.07524	3.1
200.04765	0.9
201.05368	0.7
201.09023	1.8
202.07767	1.2
202.09869	0.7
203.06972	0.8
203.08627	1.8
204.09288	1.2
205.06596	1.2
205.10028	2.0
206.10832	1.5
207.07947	2.2
207.11647	2.1
209.05869	1.8
209.09669	3.7
210.06740	6.7
211.03853	0.9
211.07521	11.3
211.11035	1.1
212.04614	1.1
212.08145	1.6
213.05461	6.3
213.08974	1.0
214.06219	2.2
215.06914	3.3
215.08743	0.7
216.09344	0.6
217.10092	1.5
218.07286	0.7
218.10748	2.0
219.08000	3.1
219.10081	1.8
219.11760	1.4
220.08940	3.2
220.10707	1.1
221.06046	1.3
221.09505	2.6
221.13161	0.9
222.06721	1.4
222.10205	1.1
223.03929	1.3
223.07487	2.6
223.11118	1.2
224.04570	2.4
224.08223	3.1
224.11824	0.9
225.05652	2.9
225.09079	9.8
226.06227	3.0
226.09770	0.9
227.06998	7.8
228.04144	1.3
228.07797	3.3
229.04973	5.3
229.08315	1.3
230.05420	1.2
230.10715	0.8
231.08153	1.1
231.11589	2.5
232.08806	1.1
232.12363	2.2
233.05891	1.0
233.09415	2.3
233.13380	3.3
234.06665	1.6
234.10277	2.0
235.07480	2.4
235.11160	4.1
236.08176	2.2
236.11775	0.9
237.05539	2.8
237.09094	7.5
238.06274	5.2
238.09700	1.6
239.07022	11.0
239.10605	2.6
240.07668	2.4
241.04974	5.5
241.08629	3.2
241.12250	1.5
242.05666	3.0
242.09317	2.1
243.06517	8.2
243.10040	0.9
244.07155	1.0
244.12430	1.3
245.04141	0.9
245.09689	1.0
245.13148	2.5
246.10184	1.0
246.13901	1.2
247.07585	2.8
247.11089	1.6
247.14935	3.2
248.08334	5.2
248.15535	2.4
249.09035	8.3
249.11218	2.1
249.16330	1.7
250.06200	2.3
250.09641	1.4
251.06956	3.4
251.10674	3.9
252.04268	0.7
252.07710	3.7
252.11528	3.5
253.04918	3.8
253.08537	12.7
253.12085	2.0
254.05672	2.3
254.09157	3.2
255.06473	7.7
255.10074	1.7
256.03949	1.1
256.07263	8.9
257.04422	1.7
257.07959	5.6
258.05145	1.6
258.08801	1.1
258.13934	0.9
259.05844	2.9
259.14853	2.1
260.06900	1.4
260.15619	0.9
261.09262	1.4
261.12592	1.1
261.16367	2.5
262.06131	0.8
262.09802	2.4
263.07739	1.0
263.10632	8.6
264.07800	1.7
264.11331	4.4
265.08554	15.5
265.12039	2.5
266.05682	2.4
266.09201	5.3
267.06482	14.6
267.10077	3.2
267.13831	2.8
268.07178	4.4
268.10437	1.2
269.04431	2.6
269.07971	3.9
269.11508	3.4
270.05484	1.1
270.08789	5.9
271.05963	6.6
271.09564	6.8
272.06659	4.1
272.09540	0.8
273.04318	0.8
273.07507	4.1
273.12704	1.3
273.16269	3.6
275.14157	0.8
275.17914	2.6
276.07880	1.0
277.08566	5.9
277.11685	1.0
277.19373	1.0
278.09216	1.7
279.06671	1.2
279.10065	8.0
280.07391	2.0
280.10886	10.8
281.08032	11.5
281.11609	8.5
282.05609	1.0
282.08759	5.8
282.12000	1.0
283.05988	4.5
283.09497	3.1
284.06818	8.9
284.10001	1.0
285.07504	12.2
285.11145	5.0
286.08121	2.2
287.05502	2.9
287.09073	5.0
287.17780	0.8
288.06210	2.5
288.09543	1.0
288.15353	0.9
288.18655	4.5
289.06964	4.9
289.15891	0.9
289.19406	1.6
291.10196	7.5
292.10806	4.8
293.08041	8.7
293.11588	3.9
294.08783	4.2
294.12445	2.2
295.09695	3.7
295.13232	21.2
296.10367	1.3
296.13809	4.6
297.07574	3.3
297.11194	7.7
298.08417	8.2
298.11798	1.7
299.09152	23.4
299.12439	0.9
299.17783	0.9
300.09790	4.5
301.06985	3.3
301.10611	2.3
302.07758	4.3
303.08609	13.4
304.09381	17.2
305.09448	1.0
307.09659	3.4
307.12750	0.8
308.10425	9.9
309.07535	0.7
309.11203	13.8
309.14810	1.9
310.08237	2.0
310.11771	2.4
311.09122	3.8
311.12512	1.2
312.09811	1.8
312.13516	6.7
313.10715	27.0
313.14166	2.4
314.11246	4.0
315.08856	2.8
316.09393	6.1
317.10129	11.3
318.10938	18.2
319.11591	5.2
322.11923	1.9
323.12753	40.5
324.09625	0.7
324.13416	11.9
325.10638	8.9
325.14346	3.2
326.11316	2.5
327.12210	2.2
327.15872	9.4
328.16260	1.3
329.10245	1.5
330.10849	2.2
331.11737	21.8
332.12222	3.4
337.14011	1.3
338.15097	3.0
339.12186	2.7
340.13025	6.9
341.13763	10.4
341.17639	1.1
342.14450	1.5
343.11847	2.1
344.12476	1.8
345.13318	23.4
346.13669	2.1
355.15387	100.0
356.16043	33.6
357.12695	3.3
357.16638	2.3
358.14081	2.8
359.14859	1.7
369.17636	1.3
369.22079	0.7
372.15759	9.5
372.20633	1.0
373.15689	0.7
387.18057	83.5
387.23022	9.8
388.18420	8.2
388.23105	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74588	0.7
52.60901	0.7
55.01519	0.6
67.05425	0.9
69.06985	1.5
69.07318	0.6
69.40350	2.5
69.40784	2.3
72.76915	0.7
81.06987	1.0
95.08540	0.9
98.22839	2.0
99.16187	0.6
139.07451	1.0
139.60526	0.7
159.08032	1.4
165.06889	1.5
167.06924	2.8
173.09509	1.2
181.06427	0.8
181.10033	0.8
182.07239	0.9
183.07953	1.3
185.05933	0.7
187.07465	1.0
192.09279	1.6
195.07948	0.7
196.05135	0.9
197.05849	1.8
197.09537	1.4
199.07521	0.8
201.08968	2.1
202.09718	1.7
207.08034	1.2
207.11652	1.6
209.09607	2.0
210.06673	3.5
211.07600	3.7
212.08209	0.9
213.05327	2.2
219.08006	1.3
220.08716	2.8
221.06033	1.0
221.09552	1.2
222.06725	1.0
223.03712	0.9
223.07520	0.8
223.11046	0.9
224.08289	1.7
225.05388	1.7
225.09198	3.3
226.06198	0.8
226.09691	1.1
227.06981	2.4
228.07692	1.0
233.09573	1.5
233.11720	1.2
234.06657	1.2
234.10236	1.4
234.12440	0.9
235.07547	1.6
235.11272	3.9
236.11729	0.8
237.05365	1.0
237.09138	5.4
238.06104	2.2
238.09842	1.0
239.07033	4.0
239.10565	0.9
240.07684	3.0
241.04980	3.2
241.08545	1.3
242.05579	0.8
242.09200	0.8
243.06430	2.1
247.07523	2.1
248.08359	3.5
249.09088	5.2
250.06177	1.1
250.09854	1.1
251.06981	2.4
251.10603	3.2
252.07733	1.2
252.11407	3.3
253.08636	3.5
253.11964	1.9
254.09264	2.8
255.06392	2.3
256.07312	4.9
257.08020	2.2
258.08853	1.0
259.06027	1.0
261.09006	1.5
262.09775	1.9
263.07751	0.9
263.10657	8.4
264.07846	1.3
264.11246	3.6
265.08594	9.1
265.11594	1.4
266.05920	0.9
266.09186	2.4
266.13126	1.0
267.06445	2.6
267.10101	1.5
267.13715	2.2
268.07190	1.0
269.04407	1.1
269.08170	1.7
269.11472	1.4
270.08853	1.9
271.06110	0.8
271.09564	5.1
272.06769	1.4
273.07327	1.2
275.09192	0.7
276.07819	1.2
277.08633	10.6
277.11658	0.8
278.09097	1.4
279.07193	0.7
279.10214	4.8
280.07648	0.9
280.10892	9.1
281.08060	2.7
281.11600	5.1
282.08725	2.7
283.06177	1.2
283.09445	1.5
284.06726	3.5
285.07510	3.3
285.11130	2.8
286.08267	0.9
287.05746	1.0
287.09085	2.1
288.06134	1.1
291.10175	3.4
292.10782	3.6
293.08032	5.4
293.11572	3.0
294.08731	2.8
294.12122	1.2
295.09650	2.7
295.13229	14.1
296.13876	2.6
297.07727	1.5
297.11172	5.2
298.08411	1.5
298.11841	1.3
299.09164	12.1
300.09717	3.0
301.10654	0.9
302.07779	1.3
303.08670	2.5
304.09375	1.5
307.09616	1.8
308.10461	4.2
309.11191	11.8
310.08365	1.0
310.11835	1.9
311.09134	0.9
311.12500	0.8
312.13586	2.1
313.10736	8.5
314.11298	3.2
315.08459	0.8
316.09390	1.4
317.10095	4.7
318.11069	5.4
319.11435	1.3
322.11783	1.0
323.12784	20.7
324.13470	11.1
325.10654	5.9
325.14252	2.4
326.11584	1.4
327.12238	1.6
327.15848	3.1
329.10397	1.0
330.11115	1.0
331.11792	8.3
332.12354	1.9
338.15109	2.6
340.12997	6.4
341.13742	6.2
344.12354	1.0
345.13342	9.1
346.13950	0.9
355.15402	100.0
356.15994	26.9
357.13217	1.8
357.16864	1.3
372.15717	6.7
387.18039	40.0
387.33633	1.6
388.13992	0.8
388.18341	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	0.7
57.07025	0.7
60.00383	0.5
69.07010	0.6
69.13786	2.4
69.14211	1.7
75.04409	0.5
81.06992	0.7
88.91156	0.6
93.06980	0.8
95.08504	0.8
98.23299	1.1
98.30462	0.6
107.08505	0.6
143.08478	0.9
145.06418	0.6
159.07954	0.9
159.11472	0.5
165.05441	0.7
165.06903	0.8
166.23735	0.5
167.06850	0.7
169.06450	0.9
173.09541	1.0
178.07594	0.7
179.08429	1.0
181.06339	0.7
181.09984	0.8
182.07159	1.0
183.07980	1.0
187.07458	0.5
191.08429	0.9
194.07248	0.5
195.07956	1.5
195.11575	0.6
197.05890	0.9
197.09636	0.7
199.07352	1.0
201.09116	0.7
205.06390	0.6
205.10060	0.6
207.07979	0.7
207.11545	0.6
208.08649	0.7
209.05835	1.0
209.09543	2.0
210.06638	1.5
211.07558	3.4
212.04651	1.0
213.05484	1.2
214.06088	0.7
219.07936	1.9
220.08710	1.6
221.09512	2.0
223.07413	1.6
223.11148	1.2
224.04532	1.1
224.08180	1.4
225.05324	0.8
225.09138	2.6
226.06157	1.2
227.06871	2.7
228.04266	0.7
228.07803	0.7
229.04901	0.7
229.08479	0.6
231.07977	1.1
232.08852	0.6
233.09454	2.0
234.10303	1.1
235.07504	2.3
235.11131	2.9
236.08203	1.1
236.11853	1.0
237.05373	1.9
237.09117	3.9
237.12805	0.9
238.06189	2.4
238.09679	1.5
239.06964	3.8
239.10603	1.2
240.07689	1.6
241.05002	2.3
241.08568	1.3
241.12207	1.1
242.05640	1.9
243.06450	1.3
247.07410	1.5
248.08205	2.0
249.05296	0.8
249.09076	5.4
250.06223	0.9
250.09825	2.8
251.06931	2.3
251.10611	3.8
252.07718	1.4
252.11131	1.4
253.04770	1.0
253.08549	4.0
253.12123	1.4
254.05743	0.9
254.09230	1.3
255.06416	2.1
255.10017	1.8
256.07248	3.5
257.08093	4.1
259.05795	0.8
261.09036	1.1
262.09802	1.2
263.06946	1.5
263.10583	4.8
264.07681	1.2
264.11264	1.9
265.04816	0.5
265.05511	0.6
265.08533	7.6
265.12088	4.0
266.05637	2.1
266.09222	3.4
266.12601	0.7
267.06424	7.0
267.09988	3.7
267.13751	1.5
268.07114	1.9
268.10883	0.5
269.04465	2.7
269.07959	0.6
269.11591	1.5
270.05121	0.7
270.08740	1.4
271.05881	2.1
271.09512	2.0
272.06567	0.6
276.07791	0.7
277.08511	5.2
277.11905	1.1
278.09241	2.2
279.06509	1.6
279.10117	6.5
280.07327	2.1
280.10846	6.8
281.08032	6.8
281.11618	10.6
282.05515	0.9
282.08698	2.5
282.12109	1.3
283.06268	0.9
283.09555	3.3
284.06802	9.1
284.09900	1.1
285.07556	16.3
285.10803	1.2
286.07898	1.1
287.05515	0.6
287.09024	0.8
291.07086	0.9
291.10016	4.6
292.07468	0.6
292.10843	2.1
293.08026	4.2
293.11646	7.6
294.08713	3.2
294.12341	2.5
295.06287	0.9
295.09537	4.9
295.13205	9.0
296.10309	1.0
296.13937	1.5
297.07544	1.4
297.11169	6.1
297.14487	0.8
298.08209	2.0
298.11835	1.7
299.05609	1.3
299.09088	11.8
300.09857	6.4
301.06882	0.6
302.07773	1.1
303.08435	1.0
304.09427	0.7
305.08267	0.5
305.11774	1.0
306.12344	1.7
307.09653	6.4
307.12958	1.0
308.10431	7.1
309.07794	0.9
309.11166	14.9
309.14325	0.5
310.08655	0.6
310.11838	3.2
311.09048	4.3
311.12695	1.9
312.09744	1.2
312.13525	3.7
313.07169	0.6
313.10635	5.0
313.14249	1.5
314.07837	1.2
314.11404	10.7
315.08484	0.9
315.11832	1.1
317.10068	1.8
318.10742	1.0
321.11063	1.0
322.11884	3.7
323.09094	1.1
323.12744	13.2
324.09949	0.9
324.13449	6.2
325.10620	6.6
325.14288	7.1
326.11270	2.3
326.14810	1.1
327.08716	6.9
327.12378	1.1
327.15762	4.4
328.09109	1.6
331.11493	1.1
337.10626	2.3
337.14087	0.9
339.12262	3.1
340.13043	13.8
341.13812	34.4
342.14090	3.1
343.11728	2.9
345.09702	0.7
345.13153	2.5
351.12204	0.9
355.15381	64.3
356.16132	100.0
357.13092	0.9
357.16666	9.0
369.13208	2.8
372.15689	1.7
387.18015	49.5
388.18384	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1804
Annotation	(+)-Gomisin M2
Peak:m/z	Relative Intensity
67.05495	5.5
67.38973	3.1
70.57307	7.6
73.49613	3.3
93.07044	4.7
119.08643	4.7
143.08594	3.7
159.11682	3.9
167.07120	4.3
168.05777	3.7
197.06113	3.6
199.07545	5.6
211.07533	5.1
212.04871	3.4
220.08913	4.1
225.09116	4.1
227.07086	16.9
234.06514	3.8
235.07623	4.2
237.09184	6.9
239.07112	5.3
239.10608	3.7
240.04437	3.1
241.08563	5.9
242.05731	6.4
249.09113	5.7
251.10641	4.1
253.08562	5.1
253.12187	4.2
255.06546	7.6
256.07343	7.3
257.08130	9.9
263.10666	4.6
264.11389	3.8
265.08563	8.7
266.09229	5.1
267.06628	9.2
267.10263	3.3
269.08344	3.4
269.11517	6.1
271.06009	4.3
271.09647	4.6
272.06802	3.9
277.08643	5.8
279.10056	6.8
280.11023	7.9
281.08170	3.5
281.11606	15.0
284.06870	8.1
285.07574	21.8
286.08258	7.2
287.09219	8.4
291.10352	6.1
293.08267	4.7
293.11707	10.6
294.12558	4.6
295.09879	3.6
295.13257	8.6
297.11328	6.5
299.09146	10.6
300.09909	8.0
308.10580	7.0
309.11096	14.7
311.09186	4.1
313.14273	3.2
314.11459	8.3
317.10190	9.3
318.10623	5.1
322.12073	5.5
323.12802	13.9
324.13306	4.1
325.10818	7.6
325.14404	18.4
326.11444	5.3
327.15900	4.0
336.88736	3.7
340.13089	12.1
341.13876	32.4
342.14063	3.7
355.15405	66.3
356.16159	100.0
357.16830	13.2
372.15631	6.6
387.18250	60.6
388.18115	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1801
Annotation	(+)-Gomisin M2
Peak:m/z	Relative Intensity
51.39855	0.6
57.07039	0.6
59.04963	0.5
69.07048	1.5
69.19247	4.4
69.19657	1.0
71.46170	0.6
91.37833	0.5
129.06963	0.6
137.05942	0.8
139.05461	0.6
139.07536	0.6
153.06984	0.8
159.08037	2.6
165.07005	1.0
167.06999	1.6
167.08447	0.6
168.05682	1.0
169.06438	0.7
173.09531	0.8
174.85718	0.6
176.08325	1.2
181.06487	1.9
182.07245	1.1
183.07991	2.1
184.08310	0.6
185.06007	1.4
187.07524	1.4
191.08669	0.7
191.10692	1.7
192.09300	0.9
193.06479	0.6
193.10002	0.6
194.07172	0.8
195.08028	1.7
196.05147	2.2
196.08775	0.9
197.05965	2.2
197.09625	1.1
199.07523	3.7
202.31868	0.6
203.08553	0.7
207.07910	1.1
208.08757	0.6
209.05995	1.7
209.09622	2.1
210.06752	2.8
211.03923	0.8
211.07562	5.5
212.04721	0.8
212.08263	1.7
213.05441	3.8
213.08908	1.3
214.06294	1.5
215.07040	1.2
219.08038	1.7
219.10211	1.6
220.08827	2.2
221.05904	1.5
221.09622	2.1
222.06781	1.3
223.04024	0.9
223.07564	1.9
223.11037	0.9
224.04660	1.3
224.08292	2.3
224.11896	0.7
225.05402	1.7
225.09036	3.8
226.06227	4.6
226.09813	1.1
227.07054	6.9
228.04243	1.4
228.07831	3.4
229.04990	4.8
229.08443	1.2
230.05705	0.8
232.08899	0.8
233.09520	1.9
234.10352	1.4
235.07472	1.7
235.11150	3.9
236.08305	1.1
237.05475	2.3
237.09023	5.9
238.06189	4.1
238.09694	1.8
239.07033	6.7
239.10657	2.1
240.07846	2.4
241.05011	3.0
241.08653	2.9
241.12186	1.5
242.05739	1.6
242.09286	4.0
243.06517	10.3
244.07158	0.8
245.04375	1.1
247.07582	1.9
248.08281	3.3
249.09074	4.2
250.06242	1.2
250.09793	1.8
251.06993	3.1
251.10611	3.7
252.07817	3.4
252.11461	3.5
253.04907	0.9
253.05923	0.9
253.08563	8.9
253.12239	1.5
254.05789	1.6
254.09247	2.1
255.06483	5.0
255.10089	1.4
256.07266	8.2
257.04422	1.4
257.07993	4.7
258.05127	0.9
258.08871	1.0
259.06052	1.9
260.06699	1.3
261.09119	0.9
262.09888	2.3
263.07355	1.0
263.10611	8.0
264.07788	1.1
264.11407	1.5
265.08578	12.0
265.11938	1.0
266.05698	1.9
266.09219	3.1
266.13000	0.7
267.06522	10.5
267.10123	5.1
267.13733	5.1
268.07141	2.2
269.04510	0.8
269.08057	2.0
269.11691	3.1
270.05447	0.9
270.08893	7.6
270.11722	0.7
271.06104	2.8
271.09650	6.7
272.06729	2.9
273.04614	0.6
273.07455	3.2
275.09286	1.4
276.07767	1.0
277.08530	4.3
277.11682	1.0
278.09332	1.3
279.06848	1.2
279.10123	7.2
280.10892	10.3
281.08072	13.7
281.11646	6.2
282.05945	0.7
282.08771	4.3
283.05975	2.2
283.09555	1.8
284.06802	1.8
284.09933	0.7
285.07547	7.0
285.11237	6.2
286.08316	2.0
287.05594	1.5
287.09103	3.5
288.06424	1.5
289.06989	4.1
291.10196	3.2
292.10892	3.0
293.08075	6.5
293.11642	2.5
294.08670	2.2
294.12424	2.1
295.09692	2.2
295.13232	17.6
296.13782	3.1
297.07587	1.6
297.11145	9.3
297.14529	1.2
298.08267	2.4
298.11661	1.6
299.05710	0.9
299.09143	16.6
299.12479	0.7
300.09720	2.8
301.07010	3.7
301.10538	1.3
302.07770	2.2
303.08649	9.8
304.09381	17.6
305.09564	0.9
307.09607	2.7
308.10413	7.4
308.27087	0.7
309.11166	8.0
309.14868	3.7
310.08307	1.8
310.11703	1.1
311.09042	3.0
311.12646	1.5
312.13525	6.2
313.07013	1.2
313.10690	20.6
313.14032	1.3
314.11185	2.2
315.08646	1.5
316.09360	5.9
317.10193	7.0
318.10941	11.0
319.11594	3.8
322.12030	1.3
323.12744	19.4
324.13461	7.4
325.10672	8.8
325.14291	1.9
326.11273	2.0
327.12265	1.1
327.15854	11.1
329.10144	1.3
330.10779	1.0
331.11710	16.0
332.12329	2.4
337.14261	1.7
338.15079	0.7
339.12271	1.6
340.13071	4.9
341.13785	4.3
343.11792	2.7
344.12402	1.8
345.13324	15.9
346.13754	1.0
355.15387	100.0
356.15985	21.8
357.13116	2.8
357.16989	1.3
358.14038	2.2
359.14774	1.1
369.17026	0.8
372.15646	7.1
380.73132	0.6
387.18008	51.4
388.18365	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20779	0.4
56.69091	0.5
69.27441	0.8
69.27844	3.0
71.28361	0.5
79.96706	0.5
81.07061	0.5
91.05465	0.8
91.41646	0.5
98.22787	1.5
105.06986	0.7
105.54295	0.4
120.19038	0.5
121.10142	0.5
153.05443	0.5
159.08028	1.3
165.07028	1.4
167.07051	1.2
169.10074	0.5
173.09595	1.0
175.07533	0.5
178.07860	0.7
179.08580	1.0
181.06526	1.1
181.10011	0.6
182.07249	0.8
191.08438	0.6
192.09380	0.8
193.10268	0.9
195.08057	1.9
195.11777	0.7
196.08701	0.6
197.06097	0.7
197.09634	0.8
199.07591	0.8
201.09137	2.2
202.09906	2.1
203.08528	1.2
205.06497	0.7
205.10229	0.8
207.08276	0.8
209.09624	2.5
210.06718	3.1
211.07579	2.8
213.05508	1.4
213.09097	0.6
219.08041	2.1
220.08823	2.6
221.09563	1.9
222.06696	1.1
222.10399	0.7
223.07506	1.8
223.11093	1.0
224.08281	0.7
225.09019	2.5
226.06290	0.9
226.09799	0.7
227.07080	1.3
228.07761	1.2
233.05891	0.5
233.09621	2.1
233.11678	0.6
234.06831	1.8
234.10361	0.9
235.07481	1.9
235.11139	3.1
236.08232	0.8
236.11919	0.9
237.05566	0.9
237.09096	6.9
237.12718	0.5
238.06198	1.4
238.09810	1.1
239.07030	2.6
239.10664	0.7
240.07898	1.0
241.04842	2.7
241.08600	1.2
242.05623	0.6
243.06544	0.9
247.07565	2.2
248.08350	4.7
249.09128	8.1
250.06371	1.2
250.09819	1.5
251.07083	2.2
251.10623	4.2
252.07680	1.1
252.11548	2.6
253.08636	1.8
253.12210	1.4
254.05721	1.1
254.09367	2.1
255.06546	1.9
255.10115	0.6
256.07349	3.3
257.07971	1.3
261.09232	1.2
262.09894	1.9
263.07770	0.9
263.10669	8.2
264.07809	1.5
264.11395	2.1
265.08603	13.3
265.11859	1.0
266.09290	3.5
266.12738	1.0
267.06522	2.9
267.10138	1.1
267.13855	2.0
268.07089	1.3
269.08408	0.5
269.11722	1.1
270.05066	0.9
270.08954	0.7
271.05945	1.1
271.09628	2.5
272.06882	0.6
277.08597	11.4
278.09302	2.3
279.06607	1.4
279.10162	4.3
280.07758	0.9
280.10895	9.2
281.08105	1.9
281.11685	6.7
282.08810	3.1
283.05981	0.7
283.09619	1.2
284.06732	1.8
285.07516	2.6
285.10907	0.9
287.09079	0.6
291.10123	2.4
292.10846	1.9
293.08093	4.7
293.11694	3.1
294.08804	3.0
294.12164	0.9
295.09744	1.4
295.13278	10.0
296.13956	1.9
297.07770	0.9
297.11191	4.3
299.09189	3.4
300.09802	1.1
301.07227	0.6
303.08670	0.8
307.09573	1.7
308.10571	3.2
309.07779	0.4
309.11188	10.1
309.14597	0.4
310.08459	1.1
310.11804	1.5
311.09021	1.0
311.12781	0.8
312.13522	1.3
313.10892	2.8
313.13962	0.8
314.11548	1.4
315.08728	1.5
316.09213	0.9
317.10168	1.5
318.10855	1.3
323.12778	12.4
324.13513	9.1
325.10696	4.4
325.14316	2.5
326.11539	1.5
327.15829	2.6
331.11749	2.7
340.13034	3.7
341.13809	3.0
343.11511	0.9
345.13312	2.0
355.15399	100.0
356.16028	22.5
357.16644	1.6
372.15820	2.6
385.14691	0.6
387.18240	17.9
388.17169	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1804
Annotation	(+)-Gomisin M2
Peak:m/z	Relative Intensity
55.01876	1.1
55.05503	1.9
57.07063	0.9
69.07066	1.9
81.07069	1.6
82.81624	0.8
83.04996	1.0
91.05474	1.2
91.83820	0.8
93.07023	1.1
95.08591	2.0
95.72890	0.8
105.03374	1.4
105.07007	1.5
107.08564	1.8
109.06510	1.6
128.06146	0.9
129.07051	1.1
131.08569	1.2
133.10045	1.5
137.06001	4.7
141.06961	1.3
143.08563	1.2
145.06517	1.1
151.03891	0.9
151.07529	1.6
153.07007	1.9
156.05756	1.0
157.06537	1.6
159.08041	1.1
159.11893	1.0
161.09673	1.4
165.05492	2.3
165.06931	1.9
167.04832	1.2
167.07108	5.2
167.08380	1.1
168.05728	2.1
169.06474	3.9
170.07169	1.2
171.08084	1.8
173.06013	1.5
181.05043	1.1
181.06549	2.8
182.07307	1.7
183.04527	1.7
183.08047	2.2
184.05170	9.2
185.05896	2.0
187.07718	1.4
188.08311	1.1
189.09134	1.3
193.10172	1.0
194.07210	1.3
195.04390	1.0
195.08040	2.2
196.05162	2.9
196.42688	0.9
197.06012	7.2
197.09659	1.7
198.06786	5.9
199.07544	21.9
200.07912	1.3
201.05418	1.7
201.09087	2.0
205.08685	1.1
209.09685	1.3
210.06868	1.5
211.03926	2.3
211.07542	4.5
212.04710	6.6
212.08286	1.8
213.05550	5.2
213.09027	3.6
214.06273	2.4
215.07051	2.2
219.10159	3.0
221.09685	1.6
221.11800	2.3
222.10384	1.3
223.03934	1.3
223.07587	1.6
223.11115	1.3
224.04623	1.7
225.05481	4.6
225.09119	2.5
226.06187	7.8
227.07021	51.5
228.07643	7.3
228.90807	1.0
229.04948	5.0
229.08630	2.3
235.07529	1.9
236.08568	1.3
237.05478	1.9
237.09157	2.7
237.12828	1.2
238.06256	1.5
239.07001	3.7
239.10716	2.0
240.04205	2.7
240.07776	2.4
241.04857	3.1
241.08597	10.0
242.05734	6.7
242.09360	1.3
243.06528	6.6
243.10068	1.3
244.07288	5.9
245.08051	2.1
249.09085	2.4
250.09903	2.1
251.07133	2.8
251.10703	2.0
252.07639	1.4
253.04929	1.8
253.08600	3.0
254.05698	2.7
255.06541	16.6
255.10130	3.0
256.07303	4.9
257.04544	2.7
257.08066	13.2
258.08676	1.9
259.09647	7.7
263.10657	2.9
264.11584	1.1
265.08600	4.0
265.12238	3.5
266.09314	1.2
266.13052	1.1
267.06519	3.3
267.10007	1.1
268.07355	2.3
268.10648	1.2
269.08066	6.2
269.10663	0.9
270.05316	3.1
270.08713	2.0
271.06061	10.1
271.09543	3.4
271.12881	1.0
272.06793	5.5
273.07672	2.5
277.08585	1.3
278.09448	1.4
279.06931	1.1
279.10141	2.7
280.10947	2.2
281.08017	2.6
281.11646	3.4
282.08875	1.8
282.12283	1.5
283.06049	1.6
283.09579	4.1
283.12799	1.1
284.06863	2.4
285.07596	22.4
285.10855	2.0
286.08310	20.6
287.09106	23.8
288.09665	2.8
291.10077	1.2
292.11172	1.2
293.08298	2.1
293.11661	4.0
294.08807	1.7
294.12180	1.4
295.09741	2.0
295.13272	5.1
296.13574	1.2
297.11279	3.2
297.14841	4.0
299.09131	7.6
300.09836	2.6
301.07376	1.2
301.10739	2.2
302.07874	2.3
303.08514	1.5
304.09378	1.5
307.09637	1.4
308.10501	1.5
309.11346	4.3
311.12619	1.3
312.13422	1.4
313.10654	3.6
314.11398	1.8
315.08575	3.1
315.12054	1.6
316.09238	1.3
317.10202	18.6
318.10776	4.6
323.12744	6.9
324.13571	3.3
325.10834	1.7
325.14325	27.9
326.14627	4.7
327.12222	1.4
327.15854	3.2
329.17331	1.6
331.11700	3.7
340.13013	2.0
341.13870	3.4
345.13181	2.6
355.15405	34.4
356.16068	13.2
357.16934	14.4
358.17474	1.8
372.15619	8.3
373.16165	1.3
387.18008	100.0
388.18405	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07043	0.7
69.91399	2.5
88.92256	0.6
98.23277	0.7
159.08067	1.0
165.06934	1.3
167.06969	1.1
179.08469	0.9
181.06456	0.7
181.10234	0.7
183.08025	1.3
191.08638	1.3
195.08055	0.9
197.05983	1.7
199.07565	0.8
201.09125	2.2
202.07884	0.9
202.09918	2.2
207.07994	1.0
208.08820	0.9
209.06081	0.9
209.09619	2.5
210.06821	3.2
211.07590	2.4
213.05484	1.2
219.08060	2.0
220.08771	2.4
221.06018	1.3
221.09698	2.4
223.07530	1.1
224.04684	0.7
224.08418	1.0
225.05475	0.8
225.09081	2.0
226.06145	1.0
227.07037	2.4
231.08090	1.1
233.06041	1.0
233.09619	2.1
234.06726	1.0
234.10445	1.5
235.07520	1.3
235.11267	5.0
237.09142	6.2
238.06276	1.9
238.09729	1.5
239.07047	3.0
239.10739	1.2
240.07727	2.4
241.05005	1.5
242.05595	0.9
243.06554	1.9
247.07623	2.4
248.08289	5.4
249.09135	7.7
250.06413	2.2
250.09755	1.7
251.07050	2.0
251.10612	3.3
252.11511	3.2
253.08667	2.2
253.12143	1.1
254.09267	2.5
255.06494	2.1
255.10165	1.3
256.07355	4.1
257.08032	2.5
261.09085	1.5
262.06372	1.1
262.09976	2.0
263.07184	1.6
263.10672	8.6
264.11423	2.8
265.08606	14.2
265.12112	2.1
266.05850	1.3
266.09253	3.7
267.06519	3.0
267.10117	1.4
267.13776	1.4
268.07257	0.9
269.04715	0.9
269.07806	1.1
269.11746	1.0
270.08829	1.0
271.09641	2.5
276.07944	1.2
277.08621	12.8
277.11761	1.6
278.09018	3.4
279.06906	1.0
279.10150	4.2
280.07779	1.4
280.10910	9.6
281.08429	1.3
281.11667	5.9
282.08817	2.4
284.06781	2.6
285.07614	4.6
285.10812	1.0
291.10107	4.0
292.11032	2.7
293.08105	6.1
293.11716	4.2
294.08829	4.3
294.12415	2.0
295.09906	1.9
295.13239	11.3
296.13895	2.5
297.11215	4.1
298.11777	1.0
299.09103	5.9
300.09930	1.4
303.08542	1.0
307.09671	1.7
308.10410	4.2
309.11185	14.6
309.14505	1.4
310.08389	1.3
310.11685	1.7
311.09238	1.0
312.13574	1.7
313.10733	2.6
314.11551	2.0
317.10300	2.2
318.11063	1.1
323.12811	13.8
324.13483	9.7
325.10681	6.2
325.14282	3.9
326.11130	1.2
327.16095	2.4
331.11728	2.4
340.12997	6.4
341.13864	6.2
345.13379	1.9
355.15408	100.0
356.16077	34.9
357.12814	1.0
357.16650	2.4
372.15588	2.3
387.18051	22.9
388.18307	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1803
Annotation	(+)-Gomisin M2
Peak:m/z	Relative Intensity
56.65316	0.9
68.01160	0.8
69.07060	2.0
70.21232	3.3
79.05492	1.3
79.20276	0.7
81.07072	1.0
89.88873	0.9
103.77255	0.9
123.04418	0.9
131.08519	1.1
137.06017	1.2
139.07552	2.5
141.06949	0.9
149.02519	1.0
153.07019	1.4
159.08086	1.6
165.07039	1.7
167.06998	5.1
168.05753	2.3
169.06421	1.4
173.06053	1.1
173.09688	0.9
179.08566	1.1
181.06487	2.1
181.08568	1.2
181.10114	1.5
182.07274	3.9
183.04437	1.7
183.08093	2.8
185.06065	1.6
187.07535	2.5
188.08331	1.3
191.08510	1.8
193.10167	1.4
195.07999	1.9
196.05222	3.6
197.05957	2.8
197.09599	1.5
198.06786	1.5
199.07510	3.1
207.08109	1.3
208.26668	0.9
209.09625	2.7
210.06757	5.8
211.07555	11.4
212.04652	1.5
212.08292	2.0
213.05533	5.2
213.08955	1.6
214.06157	2.1
215.07014	4.2
219.08101	1.8
219.10150	1.3
220.08849	2.2
221.05925	1.1
221.09665	2.0
223.07463	1.4
223.11198	1.2
224.04776	2.8
224.08301	3.5
225.05443	2.5
225.09094	9.0
226.06242	2.8
226.09712	1.3
227.06929	5.8
228.04208	1.3
228.07814	3.6
229.04945	3.8
229.08580	1.2
231.08124	1.1
232.08936	1.3
233.09633	2.0
233.11725	1.3
234.10452	1.7
235.07529	1.8
235.11147	3.5
237.05475	3.0
237.09070	7.5
238.06265	4.7
238.09821	2.5
239.07014	10.8
239.10739	1.4
240.07729	3.4
241.04965	5.0
241.08546	2.3
241.12285	1.9
242.05701	2.2
242.09328	2.0
243.06522	6.2
244.07153	1.6
247.07530	1.9
248.08299	6.4
249.09085	6.4
250.06297	1.7
250.09872	1.5
251.06975	5.6
251.10597	4.2
252.04301	1.9
252.07753	3.7
252.11476	4.0
253.05011	3.9
253.08621	12.5
253.11458	1.1
253.11996	0.9
254.05861	1.8
254.09334	2.8
255.06529	9.9
255.09341	1.2
255.09808	0.9
256.03571	1.7
256.07245	10.8
257.04544	1.8
257.08054	6.2
258.05069	1.3
258.08780	1.3
259.06009	2.1
262.09937	2.0
263.06924	1.2
263.08099	1.0
263.10693	9.2
264.07837	2.3
264.11279	2.8
265.08600	13.7
265.12180	3.4
266.05719	3.7
266.09283	4.9
266.12964	1.7
267.06516	16.2
267.10165	3.1
267.13773	2.9
268.07202	4.1
269.04477	2.8
269.08163	2.6
269.11716	3.7
270.08899	5.3
271.06140	6.1
271.09457	5.7
272.06787	3.7
273.07529	3.7
276.07581	1.4
277.08618	4.5
278.05695	1.5
278.08981	1.9
279.10233	4.9
280.07791	1.8
280.10956	7.7
281.08075	11.2
281.11691	7.5
282.08813	4.9
283.06107	4.5
283.09607	3.2
284.06839	9.2
284.09937	1.4
284.49551	1.0
285.07553	11.6
285.11218	5.4
286.08362	2.4
287.05692	2.0
287.09140	3.9
288.06332	2.6
289.07138	4.4
291.10114	7.5
292.10944	4.8
293.08096	6.9
293.11713	3.9
294.08762	4.3
294.12253	1.7
295.09671	3.7
295.13266	20.8
296.10724	1.2
296.13953	4.1
297.07562	3.6
297.11221	7.5
298.08426	7.8
298.11609	1.9
299.09113	23.3
299.12271	1.2
300.09689	4.9
301.07129	3.7
301.10489	1.8
302.07800	3.2
303.08603	11.3
304.09372	16.8
306.12799	1.1
307.09631	3.4
308.10397	9.9
309.11230	14.1
309.14661	1.3
310.11783	1.8
311.08994	2.5
311.12515	1.6
312.10074	1.7
312.13562	3.7
313.10696	25.2
313.14008	1.0
314.11212	5.7
315.08646	1.9
316.09460	6.4
317.10223	11.1
318.10922	16.9
319.11685	5.1
322.12000	2.0
323.12775	39.6
324.13470	12.7
325.10712	8.2
325.14313	2.7
326.11356	3.3
327.12173	2.1
327.15897	7.9
328.16425	1.5
329.10114	2.3
330.11029	2.6
331.11758	22.4
331.15527	1.8
332.12442	2.7
337.14478	1.7
338.14996	2.4
339.12277	1.3
340.12991	6.1
341.13699	9.3
342.14056	1.2
343.11728	2.1
344.12512	2.0
345.13315	26.4
346.13501	1.4
355.15390	100.0
356.16086	35.6
357.13235	3.1
357.16684	2.8
358.13953	2.3
359.14893	2.8
367.71265	1.0
372.15729	9.4
387.17999	95.0
388.18356	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.18
Annotation	(+)-Gomisin M2
Peak:m/z	Relative Intensity
52.23390	1.1
59.29082	1.1
62.38725	1.2
69.07070	2.6
70.36071	3.9
84.23277	1.1
89.66663	1.1
91.05466	1.7
105.06999	1.6
107.04961	1.4
112.87656	1.0
123.73819	1.3
129.06981	1.4
131.08604	1.5
137.06000	4.0
139.07550	2.5
151.03888	2.0
151.07530	4.7
153.07025	1.6
157.06512	1.9
159.08127	1.8
161.05916	1.3
165.06998	2.3
165.09093	2.2
167.07100	6.7
167.08308	1.7
168.05721	1.6
173.09644	1.8
179.08600	1.9
181.06503	2.7
182.07381	3.6
183.08101	3.2
186.06689	1.2
187.07564	1.7
188.08337	1.7
189.09114	4.0
191.10715	1.4
195.08102	2.2
196.05209	3.2
197.05981	3.2
197.09590	2.6
199.07565	3.8
203.08699	1.4
207.07973	1.5
209.06024	2.7
209.09624	1.5
210.06763	4.6
211.07568	10.7
212.08301	1.8
213.05504	4.8
213.08818	1.3
215.06924	2.1
219.08075	3.1
219.10078	2.3
220.08855	3.9
221.05975	1.6
222.06775	1.9
222.10408	1.3
223.03995	1.7
223.07597	2.7
223.11104	3.0
224.04694	3.1
224.08374	3.7
225.05466	3.7
225.09030	9.0
226.06216	3.0
227.07043	7.2
228.07729	3.6
229.04962	2.8
233.09636	1.6
235.07515	2.6
235.11229	5.4
236.08333	2.3
236.12019	1.8
237.05486	2.9
237.09192	6.8
238.06197	6.1
238.09822	1.8
239.07034	11.9
240.07727	3.3
241.04985	6.8
241.08559	2.2
241.12262	2.6
242.05734	3.6
242.09161	1.7
243.06480	5.7
243.10234	1.3
244.07381	2.0
247.07689	2.1
248.08351	4.6
249.09135	8.8
250.06252	1.9
250.09692	3.1
251.07082	3.9
251.10635	4.9
252.07715	3.5
252.11327	3.3
253.04993	3.3
253.08585	12.5
253.12094	2.8
254.05719	3.6
254.09329	3.5
255.06499	7.3
255.10124	1.4
256.07245	9.2
257.04541	2.7
257.08105	6.5
258.05130	1.7
259.05957	2.6
260.06784	1.5
261.09225	2.0
262.09811	1.9
263.07220	1.3
263.08099	1.5
263.10565	9.6
264.07861	2.7
264.11493	3.3
265.08600	14.0
265.11929	2.2
266.05786	3.9
266.09277	4.8
267.06534	15.3
267.10074	3.8
267.13754	3.2
268.07324	2.9
269.04517	3.3
269.08136	3.0
269.11667	3.5
270.08847	4.2
271.06143	6.3
271.09427	5.4
272.06760	5.0
273.07593	3.4
277.08563	6.7
277.12213	1.5
278.09235	2.1
279.06992	2.0
279.10165	7.2
280.07648	2.4
280.10968	9.4
281.08112	13.8
281.11667	8.3
282.05304	1.2
282.08823	3.7
283.06039	4.6
283.09650	3.8
284.06870	10.8
284.10019	2.2
285.07553	13.8
285.11203	5.0
286.08081	2.6
287.05838	2.1
287.09167	4.9
288.06339	2.9
289.07071	4.2
291.10193	6.4
292.10934	2.9
293.08072	10.7
293.11649	4.5
294.08710	4.9
294.12262	3.2
295.09805	3.9
295.13333	19.1
296.10284	1.7
296.13940	4.2
297.07635	2.9
297.11169	7.4
298.08414	7.2
298.11383	1.6
299.09143	21.1
299.12589	2.8
300.09766	5.4
301.07080	2.9
301.10681	3.9
302.07858	4.1
303.08630	12.0
304.09412	14.6
305.09454	1.9
307.09830	2.6
308.10367	9.1
309.11203	16.9
309.14758	1.3
310.11774	2.5
311.09149	3.1
311.12817	2.5
312.13324	5.4
313.10696	21.9
313.14063	2.6
314.11401	5.0
315.08588	3.2
316.09476	6.1
317.10178	10.0
318.10989	14.8
319.11798	4.4
322.12134	2.2
323.12753	35.9
324.13406	12.4
325.10696	11.1
325.14340	4.3
326.11365	2.8
327.08752	1.7
327.12268	2.4
327.15945	12.2
329.10306	2.1
330.11026	3.5
331.11731	20.6
332.12378	3.3
338.14920	1.8
339.12299	3.1
340.13025	7.7
341.13821	16.4
343.11844	3.3
344.12494	1.8
345.13306	23.0
346.13763	2.4
355.15408	96.6
356.16101	48.5
357.13199	3.0
357.16794	3.8
358.13876	2.8
359.14877	2.5
359.19107	1.3
369.13168	1.8
372.15814	10.7
387.18033	100.0
388.18320	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.18
Annotation	(+)-Diaeudesmin
Peak:m/z	Relative Intensity
59.94218	0.4
69.07061	0.9
70.57046	0.9
71.43404	0.5
80.76318	0.7
85.52451	0.6
86.79548	0.5
98.52135	0.5
101.32649	0.5
107.89301	0.5
129.43028	0.5
165.07053	0.6
167.07039	0.8
168.05707	0.8
181.06534	0.6
181.10060	0.6
182.07285	1.4
183.08038	1.0
187.07497	0.6
191.08574	0.8
193.10100	0.6
195.08014	1.0
196.05215	1.4
197.05971	1.2
197.09608	0.6
199.07536	1.3
203.08600	0.7
204.09340	0.9
205.06477	1.2
205.10138	0.9
207.07962	1.2
207.11674	0.5
208.05264	0.8
209.05983	0.9
209.09589	2.4
210.06770	2.3
211.07552	3.4
212.08228	0.8
213.05412	1.2
214.06192	0.5
215.07014	1.5
219.08109	1.6
220.08858	3.4
221.09639	2.5
221.98648	0.6
222.06819	1.0
222.10393	0.6
223.07545	1.6
223.11147	1.0
224.04620	0.7
224.08345	1.1
225.05479	1.2
225.09085	2.4
226.06277	1.5
227.07008	2.3
228.04166	1.5
228.07742	0.9
229.03050	0.5
229.04893	2.9
231.08051	0.9
232.08961	0.9
233.05928	0.8
233.09605	1.6
234.06853	0.8
234.10265	1.3
235.07524	1.4
235.11119	3.4
236.08202	1.1
236.11920	1.6
237.05446	1.1
237.09100	8.1
237.12695	0.6
238.06244	1.4
238.09764	2.0
239.07103	3.7
239.10710	4.3
240.07910	1.1
241.04910	1.4
241.08531	1.5
242.05579	0.7
243.06538	4.6
246.50555	0.5
247.07555	1.4
248.08322	5.7
249.09135	4.1
250.06340	0.7
250.09814	1.2
251.07083	1.6
251.10660	2.8
252.07790	1.5
252.11440	3.4
253.08617	4.0
253.11974	1.1
254.09294	1.2
255.06570	1.5
255.10036	1.2
256.03647	0.8
256.07309	2.2
257.04443	1.7
257.07986	1.2
261.09229	1.5
262.09955	1.5
263.10678	10.6
264.08090	0.7
264.11343	1.8
265.08615	10.0
265.12115	2.6
266.09302	2.4
266.12741	0.6
267.06561	2.0
267.10190	1.3
267.13794	2.2
268.07062	1.2
269.07813	0.6
269.11679	1.4
270.08875	2.4
271.06042	2.7
271.09589	1.7
272.06714	2.0
276.07898	0.9
277.08673	1.6
277.12198	1.0
278.09283	0.9
279.10245	4.0
280.10913	14.4
281.08084	2.0
281.11655	6.3
282.08771	2.4
282.11993	0.9
283.09778	0.6
284.06848	1.6
284.10251	0.8
285.07571	2.3
285.11234	1.8
287.09073	1.5
288.06250	0.9
289.06989	2.7
291.10190	4.6
292.10834	2.2
293.08066	4.0
293.11591	1.6
294.08777	1.4
294.12457	1.9
295.09714	2.0
295.13248	20.8
296.10773	0.8
296.13858	3.3
297.11313	5.0
297.14438	1.1
298.08267	1.4
299.09201	4.6
300.09824	1.4
301.07019	1.1
302.07825	1.1
303.08655	4.8
304.09384	8.7
307.09686	3.0
308.10458	3.1
309.11163	3.9
309.14526	1.2
310.11874	1.0
312.13580	3.8
313.10730	5.8
313.14200	0.9
314.11365	0.8
316.09290	1.3
317.10172	1.6
318.10989	4.9
319.11700	2.2
323.12738	11.1
324.13412	4.2
325.10703	7.8
325.14331	1.5
326.11264	0.8
327.12061	1.1
327.15878	13.7
328.16125	1.1
331.11749	2.5
337.14426	2.2
339.12503	1.1
340.13055	6.1
341.13663	2.9
345.13254	3.9
355.15390	100.0
356.15881	13.5
372.15652	2.4
378.15997	0.5
387.18079	13.1
388.18262	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1801
Annotation	(+)-Gomisin M2
Peak:m/z	Relative Intensity
67.05508	0.3
69.29684	1.6
75.04468	0.3
79.05473	0.3
82.54048	0.3
88.91204	0.2
91.05456	0.4
98.23423	0.3
143.08580	0.3
147.08057	0.3
153.06975	0.5
159.08035	0.5
161.06210	0.3
165.07025	0.8
167.06996	0.4
167.08440	0.3
168.05682	0.3
173.09641	0.9
174.10265	0.3
175.11121	0.2
178.07774	0.4
179.08615	0.3
180.05739	0.3
181.06441	0.8
181.10109	0.5
182.07243	1.0
183.08060	0.6
185.06056	0.4
187.07497	0.5
189.07016	0.3
191.08559	0.4
192.09378	0.5
193.10086	0.4
194.07344	0.6
195.08034	1.1
196.05156	0.6
197.05952	0.8
197.09639	0.3
198.06660	0.3
199.07538	0.8
201.09059	0.4
203.08620	0.3
205.06531	0.3
205.10150	0.4
205.12167	0.3
207.08069	0.5
207.11717	0.6
209.05998	0.5
209.09610	1.6
210.06718	1.3
210.10315	0.3
211.07552	2.0
211.11179	0.3
212.08263	0.5
213.05397	1.2
213.09160	0.3
217.94843	0.2
219.08023	1.2
220.08774	1.5
221.06062	0.4
221.09612	1.8
222.06812	0.5
222.10349	0.8
223.07491	0.9
223.11179	0.7
224.04623	0.5
224.08275	0.7
224.11824	0.3
225.05476	0.7
225.09068	1.6
225.12657	0.3
226.06223	0.9
226.09821	0.4
227.06993	2.1
227.10580	0.4
228.07701	0.8
229.04858	0.4
229.08401	0.3
231.08009	0.4
232.08667	0.3
233.09590	1.9
233.11606	0.4
234.10362	0.6
235.07527	1.6
235.11122	2.7
236.08192	0.7
236.11920	0.7
237.05434	1.8
237.09087	3.1
238.06157	1.2
238.09798	1.5
239.06996	2.7
239.10587	1.5
240.07826	1.0
241.04855	2.0
241.08595	1.1
241.12231	0.7
242.05679	2.6
242.09535	0.3
243.06322	0.6
247.07518	1.3
247.11140	0.5
248.08328	2.2
249.05298	0.4
249.09096	5.0
249.11917	0.3
249.12770	0.3
250.06288	0.8
250.09836	2.5
251.07025	2.0
251.10629	3.2
252.04153	0.7
252.07742	1.2
252.11412	1.4
253.04973	0.5
253.08557	2.5
253.12172	3.1
254.05699	0.5
254.09351	1.2
254.12117	0.2
255.06511	1.8
255.10092	1.1
256.07275	4.6
257.04819	0.3
257.05280	0.4
257.08051	4.1
258.08594	0.5
259.05981	0.7
261.09094	1.0
262.09799	1.4
263.07071	1.3
263.10681	4.4
264.07794	1.2
264.11331	1.5
265.05307	0.6
265.08591	6.7
265.12198	3.3
266.05734	2.6
266.09277	4.3
266.12433	0.5
266.22110	0.3
267.06506	6.4
267.10062	2.0
267.13568	1.4
268.07159	1.1
268.10519	0.4
269.04465	2.3
269.08005	0.6
269.11746	2.2
270.05182	1.4
270.08795	0.8
270.11795	0.3
271.06091	0.6
271.09598	2.5
272.06641	0.5
273.07318	0.3
275.06873	0.4
275.10895	0.3
276.07831	0.9
277.08588	4.4
277.12177	0.8
278.05899	0.2
278.09326	1.6
278.12192	0.3
279.06564	1.2
279.10150	4.5
280.07291	1.5
280.10880	4.4
281.04950	0.3
281.08078	4.3
281.11703	10.4
282.08829	1.1
282.12225	1.1
283.06448	0.4
283.09650	2.2
284.06805	7.5
284.10202	0.9
285.07538	16.5
286.07864	1.4
287.05643	0.5
287.09100	0.6
290.09250	0.6
291.10120	4.5
292.07590	0.4
292.10822	1.6
293.08087	3.7
293.11691	7.0
294.08798	2.2
294.12405	2.5
295.06387	0.5
295.09653	3.4
295.13257	8.2
296.06799	0.3
296.10522	0.5
296.13846	1.6
297.07843	0.5
297.11209	4.8
297.14716	0.8
298.08289	1.5
298.11957	1.5
299.09119	8.7
299.12164	0.3
300.09875	6.2
301.07080	0.3
301.10309	0.3
302.07834	1.1
303.08243	0.3
305.11618	0.6
306.12469	1.2
307.09619	3.9
307.13300	0.9
308.10397	5.6
308.13605	0.2
309.11182	15.5
310.08426	0.4
310.11819	3.6
311.09143	1.5
311.12756	1.3
312.09985	0.5
312.13440	2.8
313.10718	1.1
313.14328	1.7
314.11447	11.0
315.11880	0.8
317.10132	2.0
318.10864	0.8
322.11987	4.3
323.12735	10.9
324.13412	5.4
324.16977	0.5
325.10645	5.7
325.14328	7.9
326.11380	2.8
326.14844	0.6
327.12051	0.8
327.15915	3.7
331.11710	0.9
337.14343	1.0
339.15961	0.6
340.08856	0.6
340.13034	14.8
341.13803	34.2
342.14157	3.7
345.13403	1.1
355.15378	61.7
356.16122	100.0
357.12405	0.6
357.16574	10.1
372.15698	0.9
373.16565	0.3
387.17990	44.1
388.18405	5.1
389.67767	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57811	0.6
63.03493	0.7
69.07066	0.8
69.17889	0.7
69.81573	1.7
69.81966	1.2
70.83527	0.7
98.23018	2.1
109.02046	0.7
153.07089	0.8
159.08084	1.5
165.07039	1.9
167.07062	1.7
168.05681	0.8
171.08067	0.7
179.08485	1.4
181.06592	1.0
181.10117	0.8
182.07239	1.2
183.08034	1.4
192.09338	0.9
193.10274	0.7
195.08072	1.9
196.05226	1.2
197.05959	1.1
197.09489	0.9
201.09109	2.0
202.09929	1.3
205.06544	1.0
205.10054	0.9
207.08127	1.0
207.11803	1.9
209.05995	1.0
209.09628	2.4
210.06767	3.1
211.07549	3.9
213.05450	1.7
219.08060	2.1
220.08806	2.8
221.05968	0.8
221.09628	1.9
222.06717	0.7
223.07556	1.3
224.08304	1.4
225.09135	3.0
226.06236	1.7
227.07031	2.9
228.07825	1.3
231.08185	0.8
234.06790	1.1
234.10368	1.1
235.07544	1.1
235.11212	3.4
236.08382	0.9
237.05544	1.4
237.09074	6.0
238.06212	2.0
238.09857	1.3
239.07040	2.5
240.07860	2.5
241.05022	2.2
241.08598	1.5
242.05641	1.6
243.06534	2.3
247.07544	1.9
248.08464	4.7
249.09125	6.1
250.06273	1.9
250.09804	1.7
251.06990	2.2
251.10713	4.1
252.07829	1.7
252.11424	2.8
253.08627	2.4
253.12260	1.4
254.09378	2.8
255.06628	2.1
256.07297	3.7
257.08093	2.5
261.09100	2.2
262.09888	2.1
263.07034	0.9
263.07724	1.0
263.10660	9.0
264.07843	1.4
264.11371	3.0
265.08627	12.5
265.12299	2.1
266.09332	3.6
266.12228	0.7
267.06583	2.5
267.10175	1.2
267.13885	1.7
268.07248	1.3
269.11823	1.5
270.05225	0.8
270.08899	2.7
270.11707	1.0
271.06424	1.3
271.09720	3.2
272.06879	0.8
276.07858	1.0
277.08582	11.2
278.06360	1.0
278.09198	3.5
279.07028	0.9
279.10153	4.3
280.07629	0.9
280.10858	9.3
281.08224	1.9
281.11725	6.6
282.08945	3.7
283.06146	1.4
284.06824	2.0
285.07568	2.6
285.11075	2.1
286.08060	0.9
287.09106	2.0
288.06375	1.0
291.10022	4.3
292.11008	2.1
293.08078	7.4
293.11636	2.9
294.08722	3.3
294.12094	1.3
295.09875	1.8
295.13254	13.5
296.10733	0.9
296.14041	2.3
297.08002	1.0
297.11157	3.9
297.14246	0.8
299.09131	8.4
300.09827	2.6
301.07053	1.2
302.07742	1.5
303.08554	2.3
307.09680	1.5
308.10397	3.9
309.11230	12.0
310.11655	1.7
311.09256	1.4
311.12802	0.9
312.13580	1.3
313.10724	5.8
314.11627	1.7
316.09497	1.6
317.10193	4.3
318.10965	3.1
319.11713	1.2
322.12003	1.0
323.12750	20.7
324.13458	9.4
325.10724	5.2
325.14267	2.1
326.11194	1.7
327.12436	1.0
327.15958	3.3
331.11707	6.4
338.15244	2.0
340.13126	4.5
341.13770	3.0
345.13318	6.0
355.15396	100.0
356.15997	22.1
356.19409	0.6
357.13162	1.6
358.14124	1.0
372.15744	9.0
373.16071	0.9
386.39929	2.0
387.18106	26.2
387.23022	3.0
387.40457	1.2
388.18298	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.4
56.37746	0.8
63.60108	0.6
67.05492	2.1
69.07076	1.4
79.05490	1.9
81.07050	3.0
85.02876	1.0
89.80137	0.8
91.05477	2.2
93.07046	2.4
95.04976	0.9
95.08610	3.0
98.23365	2.1
100.74001	0.7
105.07044	2.7
107.05021	0.9
107.08590	2.4
108.22879	0.7
109.06525	1.1
109.10161	1.4
117.07056	0.8
119.08555	2.2
121.06478	1.4
121.10153	1.7
123.08057	1.9
123.11726	0.9
124.38174	0.7
125.48329	0.7
128.06187	0.9
129.07031	1.1
131.08621	1.4
131.89568	0.7
133.10074	0.9
135.08098	1.3
135.11690	1.1
135.99257	0.7
139.07576	0.9
141.07030	0.8
143.08531	1.7
145.06468	0.9
145.10123	1.5
147.08044	1.3
147.11765	0.8
151.25546	0.7
153.05501	0.7
153.06975	0.8
155.08582	1.2
157.10138	1.7
158.07205	0.8
159.08078	1.9
159.11662	0.8
165.06996	1.7
166.07816	1.1
167.07060	5.2
167.08466	1.5
168.05611	0.9
169.10077	1.0
171.08080	0.8
171.11835	0.9
173.09633	2.1
175.11287	1.0
179.08597	2.1
181.06529	1.0
181.08601	2.3
181.10112	1.6
182.07262	0.9
183.08089	2.0
187.07475	1.1
187.11237	0.9
190.07767	0.9
191.08589	1.2
193.06485	1.1
193.10172	2.6
194.10936	0.8
195.08022	2.0
195.11786	1.7
197.05907	1.7
197.09639	1.9
201.09142	4.0
202.07835	1.0
202.09895	2.3
205.10210	0.9
206.10851	1.4
207.11763	1.6
208.08864	1.0
209.09622	4.6
209.13217	1.0
210.06824	4.1
210.10367	0.7
211.07567	3.9
211.11176	3.0
212.08363	1.7
213.05489	2.4
217.10239	1.0
219.08102	2.3
219.11758	1.4
220.08827	2.9
220.12515	0.8
221.06194	1.0
221.09607	3.2
221.13210	1.5
223.07568	1.6
223.11217	2.4
224.08276	1.6
225.09140	3.9
225.12704	1.6
226.06197	1.4
226.09712	0.7
227.07080	2.0
229.25294	0.8
231.11713	1.0
232.08961	0.9
233.09584	2.0
233.11537	1.4
233.13464	1.0
234.06831	1.5
235.07497	2.1
235.11182	5.0
236.08264	1.1
236.11821	1.4
237.05499	1.3
237.09090	6.2
237.12738	2.2
238.06256	2.3
238.09850	1.9
239.07037	3.3
239.10725	1.5
240.07733	1.7
241.04984	3.2
241.08592	1.0
242.05597	1.3
243.06401	1.1
245.09734	0.9
245.13362	1.0
247.07541	2.2
247.14943	1.7
248.08417	5.4
249.09116	7.2
249.12822	1.4
250.06178	1.7
250.09894	2.2
251.07091	1.9
251.10739	4.0
251.13995	0.8
252.11441	3.5
253.04868	1.1
253.08482	3.5
253.12259	1.9
254.09331	3.2
255.06509	1.9
255.09880	1.1
256.07288	5.0
257.08060	2.6
258.09070	0.9
261.09167	1.6
261.12863	1.6
262.09845	1.9
263.07251	1.0
263.07709	1.1
263.10706	9.4
263.14267	2.0
264.07816	1.6
264.11444	3.0
265.08618	15.8
265.12094	2.2
265.15979	1.1
266.05682	1.7
266.09283	3.9
266.12869	1.4
267.06537	3.4
267.10138	2.3
267.13821	2.9
268.07272	1.2
269.04388	1.0
269.11694	1.6
270.05402	0.9
270.08932	1.7
271.06052	0.9
271.09708	1.9
272.06735	0.9
276.07730	1.4
277.08636	13.7
278.09207	2.8
279.06796	1.7
279.10168	5.4
280.07474	1.4
280.10901	11.1
281.08163	2.0
281.11728	5.5
282.08810	2.7
283.09610	1.8
284.06839	3.8
285.07608	7.6
287.09152	0.9
289.15967	1.1
291.10056	6.2
291.17523	2.9
292.07950	1.0
292.10843	4.3
293.08072	8.5
293.11716	4.4
293.14957	0.9
294.08783	4.2
294.12073	1.4
295.06305	1.1
295.09753	3.3
295.13300	14.1
296.13971	3.0
297.07819	1.2
297.11145	6.3
299.09073	8.4
300.09897	3.4
301.07166	1.2
301.10590	1.3
302.07993	0.9
303.08578	1.8
303.17410	1.0
304.09531	1.2
307.09552	2.2
308.10474	5.7
309.07974	0.7
309.11203	16.9
310.08344	1.0
310.11795	2.2
311.08990	1.6
312.10165	1.0
312.13562	2.1
313.10693	5.7
313.14197	1.7
314.11417	5.5
316.09314	1.3
317.10187	2.9
318.11053	3.8
319.11679	1.0
322.12039	1.1
323.12793	17.6
324.13519	11.1
325.10660	6.6
325.14279	4.0
326.11276	1.3
327.15881	5.1
331.11761	3.8
332.12115	1.1
338.14792	1.0
340.13049	7.3
341.13809	14.4
342.14316	0.9
345.13037	3.9
355.15399	100.0
356.16074	39.8
357.16794	3.8
369.22107	2.8
372.15671	5.9
387.17969	25.3
387.23154	14.2
387.26865	1.5
388.18240	3.5
388.23254	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1803
Annotation	(+)-Gomisin M2
Peak:m/z	Relative Intensity
55.05505	1.1
62.05302	0.6
63.74405	0.7
67.05505	1.4
69.07067	1.1
74.30058	0.7
81.07048	1.5
85.47125	0.7
91.05463	1.5
91.45200	0.6
93.07056	0.8
95.08601	1.6
98.22732	2.6
99.04455	1.1
105.07085	1.2
107.81774	0.6
109.10163	0.9
117.07030	0.8
119.08590	0.9
133.06528	0.8
159.11713	1.4
167.07050	2.1
173.09604	1.1
175.07631	0.8
187.07607	1.6
187.11221	1.2
193.10162	1.0
195.08171	0.8
197.05965	0.9
197.09593	1.0
201.09183	1.8
202.09721	0.8
207.08142	1.0
209.09660	1.9
210.06679	2.4
210.10347	1.0
211.07571	2.0
213.05547	1.0
219.08058	1.5
219.09982	0.9
220.08823	2.0
221.09682	1.2
222.06717	1.1
222.10254	0.9
223.07608	1.1
223.11336	0.9
224.08250	1.1
225.09059	1.8
226.06285	1.3
227.07008	1.0
233.09732	1.4
233.11667	3.8
234.06703	0.8
234.10368	1.5
235.07486	1.7
235.11217	2.5
236.08365	0.8
236.11916	0.9
237.09090	7.2
237.12762	1.1
238.06227	1.3
238.09842	0.8
239.06989	3.1
240.07831	1.1
241.05014	1.9
242.05595	1.2
243.06500	1.7
247.07539	1.6
248.08315	4.6
249.09131	5.7
250.09880	1.1
251.07056	1.5
251.10646	2.7
252.11432	3.1
253.08653	2.5
254.09375	2.0
255.06520	2.8
256.07285	2.4
257.04370	0.8
257.08008	1.8
261.09091	1.5
262.09961	1.1
263.07172	1.0
263.07721	1.1
263.10654	8.0
264.07874	1.0
264.11420	1.7
265.08624	9.4
265.12173	2.3
266.05740	1.1
266.09180	2.5
267.06482	2.0
267.10086	1.0
267.13763	2.1
268.07388	1.0
269.04532	0.8
270.08853	1.9
271.09653	2.7
276.07901	1.5
277.08609	8.8
277.12094	1.2
278.09164	1.5
279.06720	1.2
279.10114	5.3
280.10980	9.1
281.08173	2.3
281.11725	6.2
282.08813	2.4
283.09332	0.8
284.06796	2.5
285.07578	4.2
285.11081	1.1
291.10028	3.9
292.10965	2.5
293.08047	6.1
293.11655	2.9
294.08881	2.4
294.12317	1.8
295.09900	1.5
295.13272	11.5
296.13803	2.2
297.11179	5.1
299.09171	6.5
300.09836	1.8
302.07861	0.8
303.08777	1.0
306.12567	1.6
307.09662	1.7
308.10449	4.6
309.07813	0.6
309.11206	12.8
310.11725	2.2
311.09109	1.9
312.10046	0.8
312.13470	1.3
313.10706	3.1
313.14011	1.0
314.11447	2.7
317.10187	2.7
318.10889	1.6
322.11597	0.8
323.12805	13.7
324.13477	9.3
325.10675	6.3
325.14343	2.3
327.15836	3.1
331.11777	1.4
340.12979	4.9
341.13846	7.6
345.13214	2.3
355.15408	100.0
356.16068	32.8
357.16602	2.3
372.15854	3.7
387.18192	23.6
388.17862	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.18
Annotation	(+)-Gomisin M2
Peak:m/z	Relative Intensity
50.61309	0.9
55.05501	1.8
67.50147	1.0
69.07050	1.1
69.36287	7.1
79.05505	1.3
99.14742	1.0
107.04911	1.0
108.52366	1.1
108.83665	1.0
109.06477	2.2
122.03666	1.1
128.06221	1.4
137.05978	6.2
141.07001	2.9
153.07018	2.3
155.04933	1.1
156.05724	2.2
157.06435	1.1
161.09593	1.1
165.05440	3.7
165.06857	1.2
167.04865	1.6
167.07057	3.1
168.05775	2.4
169.06462	3.2
170.07297	1.5
171.08081	2.5
173.05962	2.1
175.07635	1.3
181.06569	4.6
182.07256	1.2
183.04404	1.3
183.08072	1.9
184.05217	12.8
185.05875	3.1
189.09146	1.6
195.04292	1.1
195.08051	1.7
196.05238	3.3
197.05930	5.5
198.06779	8.5
199.07536	27.5
200.08047	1.2
201.05447	2.3
205.08569	1.5
210.06792	1.1
211.03998	1.6
211.07542	3.5
212.04694	8.1
212.08253	2.0
213.05424	5.8
213.09087	3.5
214.06239	3.1
215.07056	1.7
217.08496	2.0
219.08121	1.3
219.10191	2.8
220.10982	1.4
221.11740	1.9
223.07520	2.2
225.05409	3.6
225.08936	1.9
226.06209	8.7
227.07013	57.9
228.07645	9.1
229.04915	5.4
229.08421	1.8
233.09630	1.4
235.07549	1.7
237.09100	1.3
238.06322	1.2
239.07054	3.8
239.10719	1.6
240.04144	2.9
240.07787	2.6
241.04921	3.1
241.08609	8.5
242.05789	8.5
242.09392	1.3
243.06487	7.8
244.07288	5.9
245.08104	1.7
249.09206	1.4
250.09792	1.7
251.07123	1.2
251.10625	1.1
253.04883	1.8
253.08687	1.2
254.05959	1.5
255.06528	16.5
255.10147	3.2
256.04224	1.4
256.07272	4.5
257.08121	13.4
258.05142	1.3
258.08716	2.7
259.09616	10.1
265.09467	1.1
265.12280	4.3
266.12766	1.3
267.06549	1.7
267.10135	3.3
268.07330	1.4
269.08145	4.7
269.11627	1.4
270.05240	5.2
270.08743	1.1
271.05960	10.4
271.08820	1.6
272.06735	5.2
273.07550	1.5
279.10199	2.1
281.08206	1.8
281.11707	1.2
282.08759	1.3
282.12375	2.7
283.06281	1.2
283.09677	3.6
285.05179	0.8
285.07587	25.2
285.10770	2.2
286.08334	22.1
287.09116	29.2
288.09576	2.8
293.11719	4.4
295.09708	2.4
295.13101	1.2
297.11896	1.4
297.14746	6.3
299.09152	3.9
299.12555	1.2
300.06369	1.3
301.07413	1.4
301.10806	3.7
302.08017	1.3
309.11316	1.7
310.11902	2.5
313.10632	1.8
315.08643	3.7
317.10181	20.9
318.10519	1.8
323.12421	1.2
324.13690	1.6
325.14349	31.9
326.14767	3.8
327.15659	1.5
329.17416	2.5
355.15427	9.0
356.15793	1.6
357.16956	15.9
369.16959	2.6
372.15686	7.1
387.17996	100.0
388.18298	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1804
Annotation	(+)-Gomisin M2
Peak:m/z	Relative Intensity
55.21346	0.8
56.56990	0.7
67.05492	0.9
69.07074	1.5
71.31824	1.4
73.71255	1.0
81.07041	1.9
83.16904	0.8
91.05499	0.9
93.07054	2.0
93.81820	0.7
95.08580	1.3
105.07021	2.6
107.08585	1.9
109.10105	1.1
119.08636	2.0
133.10170	1.0
134.55530	0.8
135.11691	0.8
145.06544	1.1
147.11751	1.1
153.05511	1.0
159.08060	1.0
165.07004	2.0
167.07098	2.7
167.08534	1.3
169.06458	1.1
173.09683	2.0
179.08554	1.2
181.06502	2.1
181.08646	1.3
181.10124	1.0
182.07245	1.6
183.08099	2.0
187.07516	1.6
189.05347	1.0
193.10036	1.0
195.08186	1.1
196.05182	2.0
196.60005	0.9
197.06021	1.8
197.09718	2.2
199.07582	2.9
201.09151	3.4
202.09972	2.0
205.10236	0.9
207.08064	1.1
209.09683	2.7
210.06770	4.3
211.07503	6.2
212.08478	1.0
213.05519	3.2
219.08096	1.8
219.10104	1.5
220.08847	3.2
221.09586	2.5
223.07620	1.6
223.11276	0.8
224.04845	0.9
224.08211	1.4
225.05592	1.9
225.09123	3.3
226.06241	2.8
226.09906	1.1
227.07024	7.0
228.07784	2.1
229.05006	1.3
233.11856	1.2
234.06682	1.5
235.07596	1.0
235.11211	3.8
237.05434	1.1
237.09116	4.7
238.06293	2.1
239.06985	4.8
240.07898	2.4
241.04999	3.2
241.08710	1.8
242.05762	1.7
242.09578	1.2
243.06583	3.1
247.07640	2.0
248.08318	4.3
249.09102	7.9
250.06270	1.6
250.09790	1.5
251.06993	1.6
251.10716	3.4
252.11533	3.3
253.04881	1.1
253.08592	4.3
254.09360	1.7
255.06483	5.6
255.10139	1.3
256.07306	5.7
257.04565	1.1
257.08096	3.4
259.05927	1.1
261.09067	1.4
262.09967	1.5
263.07388	1.6
263.10736	9.7
264.07901	1.7
264.11371	3.5
265.08652	14.0
265.12170	2.8
266.06256	1.5
266.09378	3.9
266.12988	1.6
267.06570	2.7
267.10193	2.4
267.13815	1.5
268.07288	1.8
269.08066	2.4
269.11652	1.8
270.08936	2.2
271.06088	2.9
271.09692	4.7
272.06827	1.6
273.07526	1.1
277.08572	11.2
278.09436	2.7
279.07040	1.5
279.10220	5.6
280.10916	11.2
281.08191	3.3
281.11703	6.1
282.08981	3.3
283.06058	1.9
283.09537	1.7
284.06873	4.4
285.07602	7.0
285.11179	2.2
286.08392	2.6
287.05872	1.6
287.09201	4.5
288.06519	1.2
291.10123	4.7
292.10916	2.4
293.08081	7.4
293.11673	2.9
294.08890	3.9
294.12595	2.5
295.09863	2.1
295.13214	16.1
296.10532	1.0
296.13962	2.6
297.11261	5.5
297.14420	1.1
298.08487	1.1
299.09134	7.6
300.09848	2.2
301.07172	2.3
301.10672	1.5
302.07816	1.7
303.08649	2.1
304.09363	1.5
307.09653	2.3
308.10379	4.4
309.07669	0.8
309.11194	15.0
309.14517	1.5
310.11935	2.5
311.09229	1.7
312.13525	1.6
313.10712	7.3
314.11600	2.0
316.09512	1.5
317.10165	5.7
318.10986	6.0
319.11517	1.5
323.12793	22.6
324.13434	9.0
325.11142	5.6
325.13751	5.6
327.12393	1.7
327.16019	3.4
330.11035	1.3
331.11771	6.7
338.15225	2.0
340.13046	5.9
341.13910	3.8
345.13364	6.6
355.15393	100.0
356.15958	25.4
357.13177	1.5
357.16916	2.8
372.15738	8.7
386.40237	1.2
387.18069	35.4
387.23102	1.8
387.40433	1.4
388.18497	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19662	0.8
55.05509	1.8
57.02650	0.8
63.08702	0.7
67.36570	0.8
69.07072	1.3
69.36057	2.0
69.36466	4.1
74.38142	0.9
78.68991	0.8
79.05515	0.8
88.53744	0.8
108.30048	1.0
109.06507	0.8
110.31562	0.8
111.04397	1.0
134.85623	0.8
135.18835	0.8
137.05962	5.3
139.05341	0.8
139.31822	0.8
141.06970	2.0
143.08620	0.9
145.06607	0.9
153.06969	2.3
156.05698	3.0
159.08118	1.1
165.05496	3.5
165.06946	1.8
167.04942	1.3
167.07072	2.8
168.05743	2.5
169.06506	3.4
170.07275	1.4
171.08054	2.0
173.05894	1.6
174.86205	0.9
179.95683	0.9
181.06499	2.8
183.04407	1.1
183.07983	1.2
184.05190	12.6
185.05916	2.1
187.07532	1.2
189.09138	2.1
195.04294	1.5
195.08025	1.2
196.05293	1.9
197.06018	5.5
198.06755	7.4
199.07539	24.2
200.08037	1.9
201.05513	1.3
205.08609	2.5
210.06870	1.7
211.03925	1.7
211.07593	3.5
212.04652	5.8
212.08406	1.3
213.05496	6.1
213.09105	2.5
214.06255	2.7
215.06975	2.1
219.10149	2.6
220.10989	1.7
221.11703	1.6
222.10394	1.0
223.07614	1.7
225.05521	3.7
225.09068	1.9
225.11269	1.0
226.06310	7.6
227.07033	51.5
228.07709	8.5
229.05026	5.0
229.08597	2.7
230.05658	1.0
231.10182	0.9
235.07440	1.1
237.09038	1.7
237.12805	1.4
239.06987	2.8
239.10649	1.0
240.04144	3.2
240.07774	3.3
241.04846	2.9
241.08591	8.9
242.05743	7.5
243.06523	6.3
244.07297	7.6
245.08061	3.9
249.09137	1.7
250.09894	2.3
251.07100	2.0
251.10497	1.3
252.07855	1.3
253.04997	1.2
253.08682	1.7
254.05803	2.6
255.06516	16.9
255.10141	2.9
256.07278	4.4
257.04391	2.1
257.08090	14.7
258.08585	1.9
259.09702	9.2
265.08566	1.4
265.12265	4.2
266.12958	1.3
267.06592	2.1
267.10107	2.2
268.07248	1.4
269.08102	5.7
269.11343	1.3
270.05356	4.1
271.06009	12.9
271.09146	1.4
272.06845	5.6
273.07520	1.9
273.10974	1.2
279.10184	2.1
281.08105	2.3
282.12482	2.2
283.06497	1.3
283.09604	3.2
285.07587	21.7
285.10764	1.1
286.08331	22.0
287.09125	28.8
288.09692	2.3
289.10492	1.0
293.11655	3.0
294.12363	1.6
295.09537	1.4
295.13217	1.3
297.14893	6.6
299.09119	3.6
300.09821	1.4
301.10742	3.1
302.07864	1.3
310.12115	1.6
311.09186	1.0
311.12753	2.1
313.10748	1.1
315.08630	4.7
315.12167	1.5
316.09503	1.6
317.10214	21.8
318.10498	2.1
323.12677	1.1
324.13705	1.3
325.10498	2.2
325.14334	32.3
326.14819	3.4
327.12247	1.2
327.15891	2.0
329.17572	2.0
342.14426	1.4
355.15460	7.9
356.16040	1.6
357.17023	13.3
358.17188	2.1
369.16876	2.7
372.15573	6.3
387.18011	100.0
388.18323	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1802
Annotation	(+)-Gomisin M2
Peak:m/z	Relative Intensity
53.03961	1.2
67.05482	1.4
69.07056	1.5
69.26240	2.5
69.26632	8.5
78.71293	1.1
79.05518	1.0
105.07034	1.5
107.04945	1.5
139.07545	1.8
152.06200	2.0
153.06998	2.2
154.07774	1.1
159.08052	2.9
165.06940	1.6
167.07077	7.2
167.08478	1.9
168.05753	3.3
169.06485	1.5
171.08070	1.9
173.05850	1.3
179.08762	1.3
181.06473	3.1
182.07320	3.8
183.08089	4.0
184.05222	2.2
185.05946	2.3
187.07492	2.7
188.08289	1.9
191.08827	1.4
191.10689	3.1
195.08087	3.3
196.05211	5.4
197.06018	4.6
197.09612	1.9
198.06688	2.4
199.04021	1.2
199.07550	5.3
200.04697	1.2
207.08104	1.7
209.05940	2.0
209.09625	3.8
210.06755	7.6
211.07594	11.5
212.04697	2.0
212.08377	2.1
213.05559	6.7
214.06229	2.1
215.06969	2.9
217.10243	1.5
219.08051	3.9
219.10219	3.3
220.08856	3.7
220.10928	1.3
221.05948	2.1
221.09698	2.8
221.11621	1.4
222.06804	3.2
223.07506	3.4
223.11353	1.8
224.04762	2.8
224.08325	3.3
225.05453	3.2
225.09016	10.7
226.06236	3.4
227.07013	11.9
228.04181	2.3
228.07803	3.8
229.04996	4.4
229.08667	1.6
233.09636	1.7
234.06720	1.3
234.10338	1.7
235.07481	2.6
235.11209	5.0
236.08333	1.7
237.05522	3.2
237.09151	9.4
238.06284	5.6
238.09816	2.9
239.06993	10.9
240.07651	2.5
241.04950	8.5
241.08459	6.1
241.12279	1.3
242.05760	4.7
242.09232	2.2
243.06517	8.1
244.07248	2.9
247.07593	2.1
248.08363	5.3
249.09056	8.1
250.06293	1.7
250.09848	2.9
251.07074	3.6
251.10802	4.4
252.07764	3.7
252.11473	3.2
253.04988	3.1
253.08641	11.0
254.05743	2.5
254.09344	3.8
255.06451	9.6
256.03491	1.6
256.07260	8.8
257.04544	2.2
257.07993	7.4
258.05219	2.1
258.08823	1.9
259.05920	2.8
260.06836	2.4
262.09955	2.5
263.06952	1.5
263.10703	8.0
264.07855	3.2
264.11392	4.6
265.08575	16.8
265.11533	2.2
266.05811	2.4
266.09277	4.3
267.06537	13.2
267.10104	3.3
267.13788	3.0
268.07184	4.2
269.04486	3.3
269.08060	3.4
269.11743	4.7
270.05380	1.7
270.08862	7.1
271.06210	7.3
271.09433	6.6
272.06738	4.3
273.07498	3.8
275.09552	1.5
277.08658	6.0
277.12140	1.5
278.09238	2.4
279.06531	3.3
279.10202	6.7
280.07660	2.1
280.10913	10.4
281.08115	13.9
281.11707	7.6
282.08832	4.2
283.05981	4.0
283.09628	3.2
284.06827	10.8
284.09659	1.8
285.07574	13.0
285.11224	5.2
286.08197	3.2
287.05658	2.9
287.09183	6.5
288.06192	2.3
289.07138	3.8
291.10062	5.7
292.10956	6.1
293.08084	7.9
293.11621	3.2
294.08813	3.5
294.12289	2.8
295.09756	4.2
295.13211	22.3
296.13895	4.1
297.07507	3.8
297.11258	7.1
298.08350	9.9
298.11563	2.7
299.09140	25.4
299.12286	1.2
300.09674	4.9
301.07025	4.0
301.10544	2.5
302.07803	4.7
303.08606	9.9
304.09338	16.8
307.09756	2.8
308.10440	9.3
309.11234	13.9
309.14621	2.6
310.08182	1.8
310.11578	3.5
311.08966	2.4
312.09995	2.2
312.13538	5.6
313.10718	26.1
313.14108	2.2
314.11197	6.2
315.08624	3.7
316.09564	6.0
317.10159	13.4
318.10947	17.5
319.11560	6.9
322.11896	2.9
323.12784	38.2
324.13434	13.1
325.10666	10.6
325.14380	5.1
326.11285	2.3
327.12146	2.9
327.15945	9.6
329.10184	3.1
330.10941	3.5
331.11774	22.1
332.12399	4.7
338.15134	2.4
339.12338	1.9
340.13080	6.1
341.13882	9.9
341.17450	2.1
343.11826	1.9
344.12436	3.5
345.13351	29.1
346.13922	2.2
355.15402	100.0
356.11499	2.7
356.16031	40.1
357.13104	3.8
357.16791	4.0
358.14032	2.4
359.14713	3.2
371.13159	3.3
372.15881	8.2
386.15198	3.3
387.18195	91.0
388.18192	12.6
388.30380	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
87.62349	2.9
91.05479	3.5
95.08582	4.1
98.22989	20.7
123.67745	3.3
145.43463	3.1
167.07133	3.2
173.52965	2.7
201.09010	3.3
220.08791	3.4
235.11299	4.0
237.09119	6.6
241.04822	3.8
247.07602	4.5
248.08368	6.7
249.09085	6.0
252.11407	5.8
256.07266	6.2
262.10309	3.3
263.10709	11.0
265.08600	16.8
266.09167	4.0
267.06534	3.1
271.09723	4.0
277.08606	11.8
279.09967	6.6
280.10944	13.2
281.11700	7.5
285.07596	5.2
291.10309	5.9
292.11124	4.1
293.08035	9.8
293.11496	4.3
294.08908	6.1
295.10199	3.9
295.13058	16.0
296.13910	3.3
297.11258	7.2
299.09174	4.8
309.11383	16.6
314.11728	3.0
317.10233	4.4
323.12854	19.3
324.13605	10.6
325.10709	8.5
325.14362	5.5
340.12888	4.7
341.13840	6.4
345.13275	2.9
355.15405	100.0
356.16028	31.4
371.13251	7.1
372.13779	12.7
373.14737	4.6
385.14325	5.4
386.15179	5.6
387.15802	71.7
388.16574	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1802
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
53.03226	3.3
55.01865	3.8
55.05509	8.8
57.03437	3.8
65.03946	7.5
67.05501	11.7
69.03416	4.6
69.07058	9.3
71.30395	4.1
79.05509	16.1
81.03426	5.7
81.07067	17.6
82.04226	4.7
83.04960	3.2
83.08636	4.7
91.05492	9.8
93.07047	11.6
94.04174	4.1
95.04986	11.1
95.08617	16.0
97.06543	11.1
97.10178	4.3
103.05459	3.1
105.07039	5.3
107.04955	11.9
107.08611	8.8
108.05718	3.7
109.06538	8.3
109.10144	7.1
111.04438	4.4
117.07025	5.3
119.08575	7.0
121.06477	6.6
121.10127	8.2
122.03642	7.4
123.04435	12.5
124.05231	25.9
125.06019	6.2
125.09663	5.1
127.03864	3.8
129.07059	4.1
129.73706	3.5
131.08626	4.7
133.06419	2.7
133.10184	4.2
135.08054	5.1
137.06006	33.2
137.09625	12.8
139.03911	61.0
139.07526	45.9
143.83200	3.1
145.06465	7.2
145.10081	4.5
147.08102	4.8
150.88029	3.3
151.03928	8.8
151.07547	55.6
152.04742	3.1
155.07045	4.9
158.07277	3.9
159.08087	7.2
161.06010	4.3
161.09584	4.7
164.32190	3.4
165.05466	89.1
165.06859	6.6
165.09116	90.4
166.05952	6.9
167.07065	21.0
171.06566	7.7
171.11694	4.7
173.09683	9.8
174.10384	3.5
177.05479	6.6
179.10739	9.4
181.04965	100.0
181.08537	25.7
182.05463	4.8
185.09619	3.2
188.08372	4.8
189.09158	10.4
189.16275	3.1
191.07016	4.1
191.10733	6.3
197.06081	2.9
197.07994	4.3
201.09108	16.8
202.09836	4.6
203.10692	12.7
205.12225	10.3
207.08290	3.3
207.10182	5.7
209.08037	18.4
211.07558	4.0
217.08694	5.1
217.12276	5.9
219.10188	13.0
221.11794	7.3
231.10135	8.4
233.11751	11.0
234.63329	3.1
237.05423	3.2
237.08948	4.2
241.08543	5.1
249.11209	5.5
249.14925	7.6
257.07742	4.2
265.08655	5.0
271.09735	4.7
279.10046	4.3
285.11053	3.0
287.12769	30.9
291.10257	3.9
295.13333	8.5
299.09061	4.2
313.10526	6.8
323.12830	6.5
325.10767	3.7
341.17566	4.6
355.15497	23.4
356.16092	7.7
357.13120	5.7
369.13187	12.8
369.17203	5.6
387.09933	5.9
387.14127	9.7
387.18179	26.4
388.18420	4.7
393.78702	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1801
Annotation	(+)-Gomisin M2
Peak:m/z	Relative Intensity
55.05516	2.5
64.99564	2.0
67.05502	2.2
69.07074	4.6
81.07059	3.1
93.07054	3.1
95.08609	2.3
105.07034	5.1
107.04973	2.2
107.08587	3.1
114.06046	1.8
119.08627	1.8
131.08617	3.0
133.06528	2.1
139.07567	3.6
143.08595	4.3
145.10114	3.6
159.08084	5.8
165.07014	4.1
165.09145	2.1
167.07068	5.1
167.08521	3.0
168.05727	2.6
169.06567	2.5
171.08090	3.7
173.09724	2.0
174.35219	1.9
179.08650	2.6
182.07378	1.9
183.08090	3.8
185.05986	2.5
187.07564	2.9
192.09172	1.8
193.08623	10.0
195.08105	2.0
196.05272	2.2
197.05988	3.3
197.09624	3.8
198.17213	1.8
199.07585	3.8
200.04712	2.0
201.09126	2.8
209.09691	5.1
210.06772	3.6
211.07558	10.2
213.05531	8.3
217.10281	1.8
219.08104	2.2
219.10081	2.2
220.08882	2.7
221.06157	2.1
221.09561	5.6
222.06726	2.0
223.03905	2.3
223.11203	2.9
224.08351	2.7
225.05531	3.7
225.09113	13.1
226.06232	4.1
227.06967	10.0
228.07802	3.2
228.76088	1.9
229.05087	3.0
229.08572	1.9
235.07576	2.2
235.11195	3.2
236.12007	2.1
237.05475	2.6
237.09149	8.7
238.06273	6.6
238.09909	2.7
239.07085	12.7
239.10774	2.7
240.07784	3.8
241.05057	8.8
241.08572	3.1
242.05968	3.2
242.09305	2.9
243.06583	7.4
247.07509	3.1
248.08310	6.6
249.09171	7.4
251.07162	3.4
251.10770	5.1
252.07764	2.3
252.11496	4.2
253.04869	3.4
253.08603	13.1
254.05721	3.9
255.06549	6.6
256.07352	9.5
257.04633	3.1
257.08072	5.2
259.06183	3.6
261.12830	3.1
263.10736	11.9
263.14243	2.3
264.11615	3.9
265.08655	14.3
265.11154	2.5
266.05783	1.8
266.09467	2.7
267.06552	14.4
267.10104	3.3
267.13901	3.7
268.07217	5.4
269.04288	2.3
269.08093	4.3
269.11890	3.1
270.08994	6.6
271.06009	6.8
271.09753	5.4
272.06821	3.3
273.07541	3.4
277.08624	7.0
278.09436	3.3
279.10199	6.4
280.08087	3.1
280.10815	12.9
281.08124	14.7
281.11716	8.7
282.08884	7.6
283.06149	3.7
283.09674	5.0
284.06839	8.1
285.07635	13.1
285.11209	5.5
286.08365	3.6
287.09048	4.5
289.07138	5.5
291.10284	7.1
292.10956	4.6
293.08163	9.8
293.11877	5.3
294.08865	3.4
294.12344	2.6
295.10043	2.6
295.13232	23.6
296.13849	3.1
297.07846	3.9
297.11188	9.4
298.08359	8.4
299.09079	23.6
299.12250	2.4
300.06418	2.6
300.09851	5.5
301.07159	4.9
301.10471	3.2
302.07855	5.0
303.08685	10.8
304.09406	19.3
306.12393	2.4
307.09787	2.2
308.10345	9.0
309.11273	13.6
309.14697	3.9
310.08417	2.3
310.11938	4.8
311.09140	2.2
312.10098	2.6
312.13586	5.0
312.65567	2.3
313.10657	22.3
313.14053	2.8
314.11331	3.8
315.08652	6.6
316.09525	4.8
317.10254	8.4
318.10986	15.5
319.11810	7.4
323.12750	35.8
324.13474	9.5
325.10742	8.2
325.14175	2.8
327.12442	4.1
327.16043	10.8
329.10159	2.9
330.10880	3.3
331.11746	22.9
332.12454	2.9
338.15121	2.5
339.12320	3.6
340.13110	8.7
341.13782	10.3
343.11612	3.5
344.12714	3.4
345.13297	25.0
355.15393	98.2
356.16068	43.1
357.12909	4.1
357.16821	4.6
372.15622	13.3
387.18076	100.0
387.23132	13.9
388.18332	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1801
Annotation	(+)-Gomisin M2
Peak:m/z	Relative Intensity
51.72182	0.9
53.03957	1.0
53.11911	1.0
55.01866	1.8
59.18920	0.8
59.19275	1.0
65.03957	1.2
65.50215	1.0
66.05745	1.0
67.05499	1.7
69.07066	1.8
69.25300	8.4
71.36028	0.9
79.05497	2.9
79.97772	0.9
81.07077	1.3
91.05479	2.6
93.07034	1.3
95.04944	1.6
97.06557	3.2
98.22604	2.3
103.05473	2.6
105.07038	1.7
107.04952	7.2
108.55711	1.0
109.10172	4.2
115.05470	2.3
119.08630	1.4
121.06501	1.0
122.03690	1.6
123.04408	1.7
124.05231	1.2
125.05997	2.1
128.06213	1.4
131.04948	1.9
132.08098	1.4
133.06459	1.3
135.08080	1.2
137.05978	24.3
137.09621	4.0
139.03885	5.7
139.07582	1.9
143.04898	1.2
144.05679	1.3
145.06514	2.6
147.04433	1.4
147.08176	1.3
149.05981	1.6
151.03943	3.0
153.05527	1.9
156.32050	1.0
159.08037	1.6
159.09193	2.9
163.07504	10.0
165.07011	2.8
165.09149	2.3
167.03421	3.1
167.07076	11.5
168.05760	2.0
168.07411	1.2
173.06070	2.0
173.09622	1.6
175.07582	2.3
178.07758	1.1
179.08551	1.4
181.05008	5.9
181.06473	2.6
181.10217	1.7
182.07298	2.4
183.08069	3.5
187.07506	1.6
189.09244	1.2
191.07040	3.8
191.08591	2.0
192.09384	1.3
193.06395	1.1
195.08075	2.5
196.05188	2.9
197.06013	3.6
197.09610	2.1
198.06691	1.5
199.07545	3.2
202.07855	1.2
202.09874	1.3
203.07019	1.3
205.06563	1.5
205.08537	1.8
206.07240	1.1
207.08035	2.0
209.06078	1.6
209.09633	3.5
210.06798	4.5
211.07538	10.6
212.08244	1.8
213.05446	3.7
214.06384	2.2
215.07039	2.9
216.57231	1.2
219.08099	3.3
219.10242	3.2
220.08791	3.5
221.05997	2.1
221.09581	1.9
222.06783	2.9
223.07457	3.0
224.04694	2.0
224.08334	2.9
225.05544	2.6
225.09105	9.0
226.06294	3.0
226.09720	1.1
227.06961	7.7
228.07736	4.4
229.04921	7.0
234.06834	1.6
234.10287	1.6
235.07559	4.9
235.11172	3.9
236.08218	1.5
237.05507	2.6
237.09070	9.1
238.06293	4.6
238.09793	1.9
239.07002	8.9
240.07826	3.9
241.04797	5.1
241.08670	2.4
242.05751	2.4
242.09421	2.3
243.06537	6.4
244.07382	1.2
247.07591	3.0
248.08443	5.9
249.09142	8.6
250.06270	4.9
250.09743	2.1
251.07004	5.3
251.10538	5.5
252.07846	4.5
252.11508	3.2
253.05005	5.4
253.08571	12.1
253.12378	1.7
254.05754	2.9
254.09412	2.7
255.06454	6.5
255.10158	2.4
256.03693	1.7
256.07303	8.4
257.04413	1.9
257.08090	6.1
258.05276	1.5
259.06079	3.0
260.06900	2.2
262.09769	1.3
263.06955	2.2
263.10672	10.6
264.07898	2.3
264.11472	5.0
265.08630	18.5
265.12125	2.8
266.05975	2.1
266.09317	6.2
267.06537	13.1
267.10138	3.8
267.13849	3.3
268.07269	5.3
269.04538	2.4
269.08063	3.0
269.11749	3.3
270.05093	1.7
270.08878	6.1
271.06302	6.2
271.09366	6.9
272.06802	2.8
273.04343	1.1
273.07587	3.6
276.07584	1.5
277.08740	5.2
277.11847	1.2
278.09351	2.6
279.06546	3.6
279.10181	8.2
280.07632	2.3
280.10959	7.7
281.08121	10.0
281.11673	9.8
282.08798	4.5
283.06079	4.1
283.09518	3.5
284.06769	6.6
285.07614	10.8
285.11145	3.6
286.08243	1.9
287.05624	2.8
287.09198	3.5
288.06216	1.6
289.07114	3.3
291.10187	6.8
292.07593	1.4
292.10965	4.2
293.08078	7.4
293.11661	3.4
294.08875	4.3
294.12091	1.3
295.09677	4.7
295.13324	17.8
296.13901	3.4
297.07574	4.0
297.11218	6.7
297.14383	1.6
298.08286	5.3
298.11578	2.3
299.09137	21.3
299.12448	1.1
300.09891	4.7
301.07007	3.1
301.10587	2.4
302.07825	3.3
303.08621	10.7
304.09381	14.8
307.09732	3.8
308.10388	8.7
309.11206	14.5
309.14838	2.6
310.08371	2.2
310.11780	2.0
311.09137	3.0
311.12631	1.6
312.10031	1.9
312.13547	4.3
313.10703	22.6
313.14142	2.3
314.11279	4.2
315.08759	1.7
316.09265	5.3
317.10199	10.5
318.10965	16.8
319.11755	6.8
322.11938	1.8
323.09198	1.5
323.12747	32.6
324.13449	8.5
325.10721	9.8
325.14148	2.4
326.11240	4.2
327.12332	1.6
327.15897	9.4
329.10321	2.5
330.10959	3.1
331.11755	22.8
332.12338	2.9
337.14420	2.5
339.12363	1.9
340.13025	6.2
341.13791	9.4
341.18423	3.9
343.11725	2.4
344.12442	3.0
345.13284	19.7
350.44409	1.3
355.15399	100.0
356.16031	34.1
357.12973	6.8
357.17081	2.5
358.13885	2.8
359.14813	2.8
372.15762	8.4
387.14087	21.6
387.18082	85.3
388.14490	2.2
388.18597	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2011
Annotation	Icariside B2
Peak:m/z	Relative Intensity
53.03944	2.1
54.39902	0.8
55.01866	1.1
55.05504	1.3
55.34124	0.6
57.03431	2.2
57.07079	0.8
61.02938	3.0
61.03184	0.6
64.61090	0.5
66.08859	0.5
66.59383	0.5
67.05498	3.1
69.03430	20.6
69.07060	1.2
69.31885	4.0
70.06582	1.3
71.01345	0.8
71.04994	1.8
73.02911	1.5
79.05498	1.7
81.03422	7.5
81.07054	10.8
83.04963	1.2
85.02906	100.0
86.03233	1.6
87.04467	0.8
91.05489	1.8
93.07040	1.4
95.04959	1.4
95.08620	3.9
97.02885	3.8
97.06523	0.9
98.23312	0.9
99.04459	4.3
101.02386	1.0
105.07024	3.9
107.04954	0.7
107.08591	2.2
109.02882	2.2
109.06520	1.9
109.10165	9.2
111.04443	1.5
119.08586	3.5
121.06525	1.5
121.10141	3.2
123.08056	2.1
123.11708	57.2
124.12049	2.2
125.05994	59.9
125.14952	0.6
126.06352	1.4
127.03925	5.4
131.08627	0.8
133.06529	0.8
133.10130	1.4
134.37605	0.7
135.07922	0.7
135.11693	0.8
137.05988	2.6
137.09621	1.1
139.07559	10.8
145.04942	0.8
145.10114	2.5
147.08037	1.5
147.11714	4.8
149.09583	4.2
151.07556	6.6
161.09676	0.7
161.13286	1.3
163.11191	1.4
165.12766	1.2
167.10640	0.6
169.08609	1.1
171.11664	1.7
189.12701	6.1
198.04744	0.7
207.13800	35.7
208.14139	2.0
217.06387	0.7
225.14851	96.4
226.15144	4.6
298.12665	0.6
298.16394	0.7
333.16971	4.7
351.18054	5.5
369.19055	1.9
387.20123	61.5
388.20639	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2011
Annotation	Icariside B2
Peak:m/z	Relative Intensity
53.03948	3.5
55.01868	2.0
55.05506	2.1
57.03429	4.7
57.07079	2.9
61.02924	3.7
61.88301	1.5
67.05492	8.0
69.03426	24.1
69.07055	2.3
70.06591	58.2
70.40365	4.9
71.04998	4.8
71.06301	2.2
71.06912	13.7
78.21399	1.8
79.05498	5.4
81.03411	7.4
81.07055	19.3
83.04993	2.5
85.02903	100.0
91.05482	4.7
93.07059	5.5
95.04964	3.8
95.08619	10.2
97.02888	8.8
97.06538	3.4
99.04464	13.3
105.07015	11.3
107.08602	8.1
109.02854	4.2
109.06535	5.3
109.10159	32.0
111.04468	2.3
116.40917	2.0
119.08581	12.6
121.06522	2.3
121.10147	11.7
123.04430	8.0
123.08022	3.1
123.11705	92.1
124.04787	2.6
124.12031	4.2
125.05991	26.8
127.03920	13.0
131.08577	4.2
133.10118	4.6
137.05977	3.4
139.03891	5.5
139.07532	4.9
145.04939	2.3
145.06483	1.8
145.10124	4.5
147.04439	4.1
147.08063	4.9
147.11690	11.7
148.04950	1.6
149.05977	3.7
149.09572	10.2
151.07520	13.1
161.13222	3.4
165.05557	3.7
165.12656	2.5
167.10683	4.6
169.08589	2.3
171.11694	3.3
177.05460	22.7
178.05798	24.0
179.10686	2.4
181.04930	3.5
189.09047	1.9
189.12785	11.9
207.13811	59.0
208.16779	2.3
225.08858	3.7
225.11023	32.4
225.14827	47.1
226.11325	2.3
226.15092	2.2
226.18005	4.5
235.11707	2.9
330.10620	7.0
333.16986	13.4
351.17914	18.8
352.18332	2.9
369.19037	5.6
387.16095	92.2
387.20282	35.2
388.16330	5.7
388.20673	3.1
403.58142	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2012
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
56.91245	1.6
61.55143	1.4
61.62430	1.4
69.23560	7.7
69.23969	3.0
70.06601	7.3
70.88776	1.5
79.05481	1.9
81.07069	6.4
85.02893	19.8
85.03273	1.5
91.05499	2.9
93.07043	2.0
93.55204	1.9
95.08611	3.5
97.06579	1.7
98.22608	2.5
99.04492	2.0
101.17565	1.5
105.07035	3.0
106.30808	1.6
107.04918	1.8
107.08597	4.1
109.06541	2.9
109.10171	3.5
109.84260	1.5
119.08582	4.5
121.10165	3.3
123.04424	1.7
123.08092	2.4
123.11703	18.0
125.06032	1.6
137.09656	1.5
147.11774	3.2
149.09618	2.0
161.09615	2.0
161.13263	1.7
162.05814	1.6
177.05585	2.9
189.12668	3.8
190.13150	3.0
191.22823	1.5
203.05316	4.6
207.10056	3.7
207.13809	9.9
208.14110	1.9
225.10979	57.3
226.11417	2.3
343.17316	4.9
344.12723	1.6
387.16302	100.0
388.16705	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2011
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
53.03947	5.0
55.01872	5.2
55.05510	10.8
57.03426	7.4
59.05012	2.9
61.02929	7.9
63.86912	2.2
67.05511	15.2
69.03428	23.7
69.07073	6.1
69.09669	14.9
69.10074	5.9
69.70685	2.2
70.71539	2.1
71.04996	14.5
73.02941	2.8
79.05499	13.9
81.03423	11.6
81.07056	26.1
83.04983	15.1
85.02904	74.8
85.06562	3.5
87.00857	3.4
87.04463	4.2
91.03951	4.1
91.05476	19.0
93.07058	16.9
95.04966	7.4
95.08607	22.8
97.02917	17.7
97.06541	9.2
97.10142	2.7
98.22630	5.0
98.99225	2.1
99.04457	8.5
99.08102	2.9
105.01871	3.7
105.07024	48.0
107.04967	5.5
107.08599	26.5
109.02856	5.9
109.06527	16.1
109.10161	19.9
111.04440	4.0
111.08097	2.9
113.06020	9.9
117.06984	2.3
119.08582	40.5
121.02843	2.8
121.06522	6.8
121.10119	19.8
123.08074	51.5
123.11720	18.8
125.09642	17.9
127.03896	14.0
127.07568	6.4
131.08566	6.2
133.10112	6.4
135.08046	12.7
135.11719	4.7
137.05978	26.9
137.09628	23.2
137.13274	4.4
139.03914	11.0
139.11198	9.2
145.04968	8.4
145.10155	4.8
147.11687	61.2
149.09616	19.7
151.03915	3.2
151.07536	12.0
151.11186	8.0
153.05487	3.2
153.09129	3.0
155.10701	11.5
159.02951	2.5
159.11800	3.2
161.05940	2.9
161.09605	3.0
161.13284	2.6
163.03938	5.4
163.11195	9.3
165.09122	4.1
165.12752	70.1
167.07037	9.8
167.10706	12.7
175.07533	5.0
181.04973	7.0
181.12254	9.2
183.13812	5.5
189.12761	8.5
196.36520	2.5
201.09048	2.7
207.13817	91.1
208.14258	3.0
209.15303	2.4
225.14861	100.0
226.15237	6.5
249.14680	19.4
286.62769	2.5
357.13409	2.9
387.14404	25.6
387.20004	17.3
388.15021	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06251	3.2
53.03938	4.7
55.01867	4.5
55.05513	33.3
57.03437	4.7
60.58388	3.3
65.03967	4.1
67.05502	50.2
69.03433	10.0
69.07049	9.0
71.05014	6.4
79.05487	24.9
80.44556	3.7
81.07067	52.6
82.07379	3.6
83.04984	64.6
83.08620	3.8
83.96920	4.0
85.06540	32.7
91.05477	34.4
93.07044	69.8
95.04977	19.1
95.08608	100.0
97.06541	7.2
99.04475	6.2
105.07029	55.2
106.07265	3.3
107.08597	45.4
108.08958	4.4
109.06519	16.3
109.10143	19.9
111.04444	37.4
111.08082	27.5
111.22895	3.6
113.06051	9.0
115.05463	5.3
117.07013	10.8
119.08580	52.3
121.06514	12.0
121.10136	21.3
123.08063	30.6
123.11716	6.1
124.05084	3.6
125.05986	5.8
125.09679	6.2
126.69047	3.9
128.06224	8.7
129.07014	11.7
131.08569	28.2
133.06520	4.6
133.10143	34.0
135.08063	14.7
135.11702	9.5
137.05981	3.8
137.09647	8.2
139.07521	18.7
141.06979	21.5
141.09129	9.1
142.07806	9.3
143.08556	35.1
144.09341	4.9
145.10132	42.0
147.08029	13.2
147.11667	26.3
149.09624	7.2
149.13333	3.7
152.06210	4.4
153.06992	8.9
154.07817	5.1
154.51239	3.3
155.08568	18.4
156.09314	8.8
157.10120	31.3
159.08113	7.9
159.11696	37.7
161.09636	11.9
161.13229	8.9
163.11218	11.8
165.05594	4.3
165.07030	12.3
166.07628	3.9
167.07195	3.6
167.08556	8.7
168.09331	4.4
169.10138	24.1
171.08037	4.6
171.11697	27.7
173.09596	9.4
173.13278	12.6
175.11205	21.9
177.12883	4.1
178.07809	13.5
179.08551	19.4
180.09357	3.8
181.06474	6.9
181.10100	17.5
182.10843	6.0
183.08087	8.6
183.11674	20.6
185.09665	6.7
185.13266	18.2
187.11174	15.1
187.14815	28.3
189.12694	17.3
190.07765	7.4
190.99089	3.8
191.08572	8.0
191.14355	5.2
192.09361	11.2
193.10156	36.6
194.10852	6.9
195.08067	21.3
195.11700	14.2
196.08632	3.7
196.12556	8.1
197.09525	4.4
197.13272	14.9
199.07617	5.8
199.11194	5.5
199.14857	8.2
201.12709	17.1
202.07893	6.0
203.08565	18.3
204.09361	14.4
205.10159	22.9
205.12033	6.5
206.10759	10.1
207.07898	4.5
207.11711	16.2
209.09590	10.3
209.13225	20.4
210.10243	4.6
210.13969	5.1
211.07578	11.6
211.11160	6.5
211.14810	42.6
213.12947	4.1
213.16391	15.3
215.08655	9.7
216.09346	11.5
217.10152	21.2
218.07272	4.5
218.10927	14.2
219.08174	8.3
219.11740	35.7
219.13733	7.7
220.12259	4.4
221.09645	10.3
221.13260	12.7
223.11105	4.2
223.14742	9.3
225.09058	4.8
225.12715	8.1
226.13437	5.0
227.03432	4.6
227.14354	13.4
229.10161	10.0
229.15897	33.7
230.10886	10.2
231.08092	14.5
231.11652	21.9
231.17426	7.4
232.08827	11.9
232.12410	16.0
233.09668	19.6
233.13255	22.5
234.13806	6.1
237.05550	5.2
237.09055	5.0
237.16426	7.4
239.18088	5.4
241.15895	7.0
242.05821	11.0
243.11690	11.4
244.12372	8.8
245.09662	19.3
245.13290	20.7
245.15469	5.0
246.10384	9.1
246.14034	10.9
247.11206	33.2
247.14803	35.1
248.11855	14.1
248.15575	5.6
249.09015	8.4
249.12750	15.8
249.16409	12.5
251.10765	4.7
252.18906	4.9
253.19533	5.4
255.17542	14.9
257.13287	10.3
258.10437	9.3
258.13989	10.7
259.11075	19.7
259.14795	13.1
260.11826	5.9
260.15845	6.3
261.12778	12.2
261.16458	8.9
262.13638	6.7
263.10794	6.8
263.14151	5.8
267.11807	4.5
267.17307	5.0
269.13220	4.7
270.05328	7.1
271.14856	8.5
273.12732	46.2
273.16339	20.4
274.13199	7.5
275.14331	15.8
275.17960	11.5
277.15857	58.7
277.18918	6.3
283.05927	5.0
283.11142	6.4
283.14682	4.5
284.12015	4.9
285.07617	24.6
285.16110	4.4
287.08963	5.8
287.14319	18.5
287.17896	10.0
288.15091	37.8
288.18692	21.8
289.15781	16.8
289.19061	5.6
291.13770	12.3
295.20508	5.0
297.07745	9.5
297.12836	5.6
299.14291	6.7
301.06711	4.6
309.22202	4.8
313.10339	4.5
313.15829	12.8
313.19156	5.2
317.15405	4.4
323.23685	7.2
327.08636	6.6
327.23343	17.6
333.22089	10.0
341.13898	4.3
341.18866	14.0
341.22543	8.5
351.17886	6.9
351.23157	79.7
355.15323	31.9
356.16183	12.6
369.09586	8.1
369.18509	20.6
369.24207	92.4
370.24728	13.1
372.16437	4.4
387.19293	68.1
387.23431	54.5
388.19583	11.0
388.23987	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	6.6
56.96584	1.7
69.18665	4.8
69.19081	6.7
83.08646	4.3
84.77409	1.4
85.02910	2.9
98.22665	3.8
100.11263	58.5
107.04977	3.7
113.11043	1.5
117.07028	2.6
144.08090	100.0
145.08472	4.3
161.10759	12.1
209.16461	11.7
225.07353	15.4
225.10994	2.2
227.17554	63.0
228.17883	3.5
301.11905	3.9
343.13000	14.2
345.03064	2.2
387.12491	13.3
387.16458	98.3
388.16891	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84211	0.9
55.05513	17.6
57.07085	7.4
58.68214	0.9
59.82843	1.1
64.42218	0.9
67.05509	7.3
68.66164	1.0
69.07070	30.2
69.56294	6.0
70.07408	1.1
71.08629	2.0
79.05497	2.9
80.20110	1.1
81.07050	15.1
83.04989	2.0
83.08618	14.1
85.10198	1.3
91.05482	3.4
93.07043	8.9
95.08606	12.2
97.10180	13.7
98.22760	2.3
98.23306	1.3
105.07026	4.3
105.07689	1.0
107.08613	2.8
109.06519	3.5
109.10160	7.3
111.11730	5.9
119.08595	2.9
121.06480	1.8
121.10194	1.2
123.08065	3.0
123.11715	4.6
126.13776	1.0
131.08516	1.3
133.06499	1.4
133.10147	1.4
135.08043	2.1
135.11702	1.2
137.05989	15.3
137.13223	2.3
138.06750	2.0
139.07520	3.7
141.05489	1.9
147.08067	3.8
149.05981	3.9
151.07544	30.3
151.14862	1.4
151.76254	1.1
159.08124	2.5
159.11734	1.3
161.05983	5.0
161.09677	2.2
162.80360	1.0
163.07484	1.3
165.05444	10.1
165.09108	7.5
167.07047	77.5
168.07411	2.3
173.09612	1.1
175.07576	4.4
177.09109	4.1
178.06287	1.6
179.07071	5.3
179.10724	3.3
181.08604	3.8
187.11305	1.6
188.08261	1.3
189.09081	6.9
189.12695	1.2
191.07005	4.2
191.10693	2.5
192.07896	1.2
193.08658	9.1
195.10168	2.0
203.10698	4.5
205.08575	9.1
205.12169	2.5
207.10178	10.3
215.10736	1.4
217.12285	2.9
219.10132	2.4
221.11743	4.7
229.12343	1.2
233.11728	3.6
235.10942	1.2
235.13142	2.4
249.14644	1.3
265.08649	1.6
277.17896	1.5
280.10916	1.3
281.11761	1.1
295.13266	1.9
323.12854	1.8
324.13480	1.4
325.14319	1.1
326.11224	1.3
341.13989	1.8
345.12527	2.3
346.13043	1.6
355.15469	12.6
356.16077	5.3
357.11420	1.9
358.12662	1.3
369.28070	1.3
370.12793	1.7
371.12784	8.5
372.13641	13.9
373.14151	5.5
385.14453	6.0
386.15146	10.8
387.16034	100.0
387.29099	8.7
388.16711	30.5
388.29437	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1871
Annotation	31F508a1
Peak:m/z	Relative Intensity
51.22079	0.6
56.30962	0.6
58.59908	0.6
67.05487	0.6
69.14355	5.8
88.31107	0.6
115.05465	0.8
129.06938	0.6
137.05969	1.1
145.06523	0.7
153.06937	0.8
157.06467	0.7
161.09648	1.0
167.07002	2.6
168.05669	1.1
169.06487	1.5
173.05977	1.5
175.07578	1.6
179.08492	0.8
181.06425	1.1
181.08611	1.4
182.07140	0.7
182.62511	0.7
183.07945	2.0
185.05925	0.8
188.08376	0.8
189.09077	2.3
191.07036	0.8
195.08034	1.4
196.05136	1.1
197.05951	1.7
198.06691	2.0
199.07567	1.2
205.08635	1.4
207.08141	0.6
207.10059	1.5
209.06073	1.2
209.09647	1.2
210.06677	1.3
210.09892	0.8
211.07448	5.0
212.07881	0.7
213.03546	0.8
213.05351	3.5
213.09123	2.0
214.06198	1.9
215.06990	0.7
219.10146	0.8
221.09517	1.7
221.11723	4.3
222.09982	1.0
223.07501	1.3
224.04681	0.7
225.05301	1.9
225.09042	1.4
226.06134	1.4
226.09525	1.2
227.07048	4.9
228.07539	2.0
229.04893	1.5
229.08611	2.4
231.06357	1.2
235.07504	1.4
235.13174	0.7
236.11462	1.5
237.09007	1.4
238.05965	1.1
238.09549	3.0
239.07030	4.4
239.10498	2.1
240.07632	2.6
240.11186	1.2
241.04977	1.6
241.08521	3.0
242.05482	2.0
242.09250	1.5
243.06441	5.0
243.10133	1.0
244.07111	0.8
245.07980	1.2
248.08101	1.7
249.09087	3.3
250.09528	2.5
251.07030	1.8
251.10437	1.0
252.07687	1.6
252.11238	2.2
253.08580	2.2
253.12192	2.5
254.05676	0.8
254.09138	1.7
254.12729	1.1
255.06326	3.5
255.10075	2.7
256.07248	3.2
256.10373	1.1
257.07938	6.1
258.08646	2.0
259.05984	2.4
263.10486	1.2
264.07559	0.7
264.11038	1.6
265.08572	3.0
265.12064	1.8
266.09137	4.2
266.12622	1.2
267.06406	4.9
267.09854	3.5
268.07053	4.1
268.10663	1.9
269.04480	1.5
269.08005	2.8
270.04996	1.9
270.08783	3.4
270.12445	0.9
271.05923	2.4
271.09390	3.4
272.06726	1.4
272.09924	0.8
273.07526	4.2
273.11130	2.0
274.08234	2.2
277.08484	1.1
278.09073	2.8
279.06750	1.1
279.10031	1.8
280.07336	1.2
280.10632	3.3
281.07986	2.2
281.11597	6.7
282.08548	2.5
282.12082	4.0
283.05936	1.6
283.09564	1.3
284.06836	1.6
284.10110	1.6
285.07468	9.3
285.10748	1.0
286.08002	8.6
287.05792	1.2
287.09100	3.5
288.09824	1.3
289.10730	2.4
291.09949	1.0
292.10461	3.2
293.11600	2.3
294.08603	2.7
294.12128	3.3
295.09402	2.0
295.13016	1.9
296.10193	1.4
296.13675	3.6
297.07684	0.8
297.11133	1.6
297.14420	1.4
298.08267	2.3
298.11749	2.5
299.09039	4.9
299.12521	1.7
300.09674	5.6
300.12857	1.3
301.07025	8.1
301.10583	7.7
302.08020	1.1
302.11084	3.1
303.08539	1.4
308.10172	1.5
309.11032	5.6
310.11600	6.7
311.09222	1.4
311.12241	1.5
312.09509	1.2
313.10730	1.5
313.14166	3.7
314.11270	1.8
314.14697	1.0
315.08618	1.1
315.11752	5.1
316.09442	2.5
317.10220	5.1
318.10529	2.0
319.11203	0.9
320.12268	1.4
323.12375	2.9
324.13074	5.9
325.14066	4.7
326.11075	3.2
326.14746	4.3
327.11847	3.0
328.16348	2.5
331.11755	28.1
332.12369	5.4
333.13034	3.1
340.12894	0.8
341.13681	15.7
342.14160	19.7
343.14951	1.1
345.13141	1.3
345.17068	1.1
346.13937	0.9
347.70593	0.7
355.15436	2.9
356.15811	33.1
357.16501	49.6
358.17081	3.6
359.14777	0.8
373.16345	7.7
388.18671	100.0
389.19110	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2121
Annotation	UCS1025 A
Peak:m/z	Relative Intensity
51.02392	0.4
51.66191	0.4
54.30504	0.3
55.01875	0.6
55.05512	0.8
57.07071	0.4
67.05509	1.2
68.05022	0.6
68.59058	0.6
69.03450	3.6
69.07065	0.7
69.28477	2.3
70.06584	0.4
71.04992	0.9
79.05492	2.0
80.05019	0.8
81.03436	0.8
81.07066	1.6
82.06593	0.7
83.01340	0.9
83.07358	1.0
89.08569	0.3
91.05488	4.6
93.07037	1.5
94.06561	0.5
95.04970	1.1
95.08633	0.7
96.08138	5.2
98.06890	1.2
98.22594	0.8
99.04456	0.5
100.11257	0.6
103.00012	0.4
103.05463	0.5
104.82645	0.4
105.07039	2.0
106.06565	1.3
107.04960	0.8
107.08610	1.4
108.08137	0.6
109.06532	0.7
109.10122	0.4
111.04451	0.6
111.08072	0.4
117.07016	0.9
118.06554	1.2
119.04935	0.5
119.08600	1.2
120.08125	3.7
121.06490	1.0
122.09664	0.5
123.04449	1.5
123.08083	0.4
124.04762	0.8
124.11222	1.0
124.71500	0.4
126.09138	0.4
127.03924	1.6
128.06204	0.4
128.10718	0.6
129.07022	0.5
130.06538	0.5
131.07275	0.4
131.08571	1.0
133.05414	0.4
133.06503	0.4
134.09673	1.1
136.11223	2.5
137.05936	1.8
138.06308	0.6
138.12790	10.7
139.03902	6.7
140.04239	3.3
141.05489	0.6
144.08109	0.4
145.06490	0.5
146.09666	0.5
147.04442	0.5
147.06841	1.3
147.08002	0.5
147.10410	0.4
148.07579	2.8
148.08638	0.5
148.11256	0.4
149.05983	0.7
149.09634	0.4
151.03914	1.0
151.07559	0.4
153.05443	0.5
155.03401	2.8
155.07018	0.5
159.08034	0.7
161.06088	0.5
161.08386	0.8
161.09642	0.7
162.09196	2.3
162.12788	6.1
163.03935	1.6
163.07610	0.4
163.13266	0.4
164.04265	1.1
164.10715	0.7
164.14452	0.6
165.05481	1.7
165.06921	0.4
167.03464	0.6
167.07114	0.6
173.06010	0.4
174.12848	1.1
175.03969	0.5
175.07571	0.7
176.10747	0.5
176.14337	3.4
179.07068	0.6
181.04945	0.4
183.06535	1.6
186.12775	0.8
187.11314	0.6
188.14381	0.8
190.05736	0.4
190.12268	1.4
191.07082	0.6
201.09091	0.5
203.09383	0.7
203.51254	0.4
204.10216	1.1
204.13852	38.1
205.08636	0.6
205.14326	2.9
206.15398	1.0
207.06580	0.4
215.10606	0.6
217.08617	0.6
218.11754	0.7
218.15445	0.5
219.10199	1.5
220.10513	2.0
225.09200	0.4
232.17036	1.1
233.08104	1.1
234.18552	0.7
260.16479	7.4
261.16827	0.5
263.09280	0.9
273.11172	0.9
275.12793	6.4
341.17487	0.7
360.21362	0.6
370.20215	1.4
388.21204	100.0
389.21545	11.6
389.25589	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07411	2.1
53.03939	3.0
55.01862	3.7
55.05505	6.8
57.07082	2.5
58.98799	2.2
62.62078	2.1
63.82432	2.1
65.03934	3.2
67.05503	7.5
69.03436	9.1
69.07067	4.6
69.33467	14.8
71.04992	11.5
74.15645	2.1
79.05494	10.0
81.03411	2.9
81.07063	7.5
83.05001	4.5
84.03186	2.6
85.02904	13.2
85.06548	5.1
91.05482	25.8
93.07040	12.9
95.04980	6.7
95.08598	6.1
97.02873	3.7
97.06535	2.6
99.04465	23.3
103.05449	6.5
105.07047	19.4
107.08598	21.2
109.02908	3.0
109.06521	3.6
109.10158	5.3
110.03672	6.3
111.04463	4.4
114.60431	2.3
115.05466	3.1
117.03371	4.8
117.07007	5.3
119.04947	6.8
119.08582	18.4
121.10146	20.5
122.03699	2.4
123.08083	5.9
123.11729	4.1
125.05953	11.6
125.09625	5.7
127.03890	3.3
129.07011	7.0
131.04929	9.7
131.08566	27.2
133.10158	11.2
135.08046	5.9
135.11615	3.6
137.05988	23.9
137.09586	3.5
139.03928	3.0
143.08551	12.5
144.09337	5.3
145.02861	7.4
145.10129	16.8
147.04440	16.7
147.11731	7.0
149.05998	4.2
149.09656	6.2
149.13268	10.9
151.03925	72.0
151.05029	12.2
151.11194	3.4
152.04733	4.5
153.05460	7.4
158.10896	8.7
159.04369	3.9
161.06020	5.2
162.10318	2.6
163.03880	3.2
163.07613	5.1
165.05437	2.6
167.07037	3.8
169.12277	4.1
173.13274	27.5
174.13521	2.5
175.07611	3.1
175.14801	5.9
176.04759	2.7
177.05505	14.6
183.13869	5.5
189.05450	3.9
191.07030	6.4
191.14311	100.0
192.14694	5.4
193.04985	3.2
203.07042	2.7
207.06577	3.9
208.14137	4.2
209.15366	8.7
227.16454	19.1
237.07436	16.8
259.09641	4.6
329.10464	3.2
388.19949	5.2
389.12216	43.1
389.16800	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03960	6.5
67.05509	7.3
69.03433	45.4
69.03754	6.5
69.32735	37.5
71.31815	5.5
71.91579	5.8
79.05495	7.9
85.02920	20.4
85.06490	5.9
91.05485	100.0
93.07036	12.6
95.08616	10.7
96.01294	5.8
102.74297	5.7
105.07030	14.9
107.05006	5.8
107.08597	14.6
109.10117	8.8
121.10133	12.8
125.09663	13.4
133.10100	10.5
135.08035	8.5
135.11685	9.7
137.05991	13.0
140.11571	9.3
151.07571	12.3
153.09145	7.2
161.09541	5.7
162.09961	6.5
163.07535	6.3
167.07092	11.6
173.13263	12.8
175.07542	14.7
191.14265	43.0
192.14478	7.3
202.80763	5.6
207.13789	7.9
208.14194	11.9
209.15416	63.2
242.97569	7.1
275.55939	5.9
286.08368	8.7
388.20416	14.8
392.15762	6.1
412.63614	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
55.05509	2.9
57.07060	1.5
57.20996	1.1
65.03941	2.1
67.05499	3.4
69.03427	3.0
69.07057	2.9
71.04980	3.9
71.30251	2.4
79.05489	4.4
81.07056	5.8
82.79543	1.3
83.04960	1.5
83.08583	1.5
85.02915	3.8
91.05491	13.6
93.07032	7.6
95.04947	2.3
95.08629	2.7
97.06534	1.4
99.04461	7.4
103.05475	2.6
105.07023	15.1
106.07388	1.3
106.47643	1.3
107.08595	15.0
109.02832	1.2
109.10164	3.2
110.03682	1.7
115.05436	1.8
117.07011	5.4
119.04944	1.7
119.08584	14.8
120.44994	1.5
121.10155	12.1
123.04393	2.0
123.08028	3.4
125.05978	1.6
129.07027	5.7
130.07784	1.8
131.04919	2.5
131.08566	20.4
131.16830	1.3
133.10133	7.7
135.08109	2.0
135.11644	1.6
137.05951	6.9
139.03926	4.5
143.08534	9.4
144.09242	2.2
145.10155	13.3
147.04428	3.9
147.11710	5.3
149.05966	1.7
149.13257	8.9
151.03926	16.0
151.07619	1.3
157.47925	1.3
158.10889	8.9
161.05829	1.7
164.11568	1.4
167.07050	2.2
173.13274	21.8
175.07555	2.5
175.14819	6.0
176.07910	1.5
177.05460	2.9
183.13820	2.4
191.06987	2.6
191.14307	100.0
192.14651	6.8
203.79497	1.3
208.14084	1.7
209.15372	2.8
227.16437	5.6
237.07614	4.5
259.09717	2.8
290.16937	1.4
321.08734	1.4
388.19962	2.1
389.12122	7.5
389.21341	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.9
58.99868	2.3
65.03936	11.9
67.05497	4.3
68.98318	1.7
69.03430	1.4
69.64334	1.8
69.64752	4.0
77.00910	2.7
81.03405	2.8
83.04970	8.4
86.99342	1.0
92.50100	0.9
93.03401	18.3
95.04974	11.3
97.01406	1.4
99.10001	1.0
101.00906	1.1
107.03447	2.7
111.04436	5.5
112.10364	0.9
113.00903	2.1
115.02464	1.3
119.01913	3.0
121.02865	64.9
122.03226	2.1
125.04508	4.5
127.02421	3.9
129.03998	2.0
131.01915	4.4
131.46382	1.1
133.03461	1.1
135.02942	1.2
139.02405	4.9
139.03941	4.3
141.04005	3.9
145.03447	12.8
151.02400	6.1
153.03957	13.5
155.01930	3.9
157.03479	4.0
159.05072	2.8
161.00946	2.7
167.01967	1.4
169.03470	30.7
169.04840	1.8
170.03644	1.5
171.01381	2.3
171.05032	21.1
172.05263	1.4
173.02994	3.7
176.34270	1.3
179.01897	15.1
180.02063	1.8
181.03473	2.4
187.04504	7.3
189.02449	1.4
189.06075	1.7
191.05507	1.1
195.01408	4.7
195.05019	1.7
197.02960	94.6
198.03110	8.7
203.02484	1.3
209.06639	1.3
215.04004	50.7
216.04279	4.2
217.07137	1.4
219.02023	2.4
219.05043	1.6
221.02969	2.1
221.06703	1.8
223.08305	1.2
227.03203	3.9
229.00490	1.8
229.03534	1.3
231.05208	1.5
233.03136	2.0
233.05051	8.9
235.04613	1.4
237.06097	2.1
239.04019	2.4
245.06609	5.1
247.04643	4.5
249.06117	2.6
255.07204	1.1
257.05090	3.5
259.04407	1.1
261.06152	3.2
263.04031	1.9
263.07632	2.7
265.05533	2.6
271.04361	4.9
273.02679	1.4
273.06183	6.3
275.03638	1.4
275.06223	3.9
279.07248	1.8
281.02859	2.1
281.95819	1.2
283.06638	5.6
289.05508	8.4
291.03870	1.6
291.06998	7.9
293.05060	1.2
299.03970	13.6
300.04233	1.1
301.07657	7.7
305.02103	1.3
307.06598	5.6
309.04633	3.3
309.08179	4.2
311.05927	1.3
317.05014	14.1
318.05246	2.0
325.07809	2.6
327.05765	3.8
329.02170	2.2
329.07263	1.8
335.06134	17.4
336.06296	1.8
345.06744	3.1
347.02890	1.7
353.07162	16.9
354.07419	2.4
371.08261	34.6
372.08624	4.1
389.09314	100.0
390.09268	9.6
407.10416	5.9
412.10675	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.9
58.99868	2.3
65.03936	11.9
67.05497	4.3
68.98318	1.7
69.03430	1.4
69.64334	1.8
69.64752	4.0
77.00910	2.7
81.03405	2.8
83.04970	8.4
86.99342	1.0
92.50100	0.9
93.03401	18.3
95.04974	11.3
97.01406	1.4
99.10001	1.0
101.00906	1.1
107.03447	2.7
111.04436	5.5
112.10364	0.9
113.00903	2.1
115.02464	1.3
119.01913	3.0
121.02865	64.9
122.03226	2.1
125.04508	4.5
127.02421	3.9
129.03998	2.0
131.01915	4.4
131.46382	1.1
133.03461	1.1
135.02942	1.2
139.02405	4.9
139.03941	4.3
141.04005	3.9
145.03447	12.8
151.02400	6.1
153.03957	13.5
155.01930	3.9
157.03479	4.0
159.05072	2.8
161.00946	2.7
167.01967	1.4
169.03470	30.7
169.04840	1.8
170.03644	1.5
171.01381	2.3
171.05032	21.1
172.05263	1.4
173.02994	3.7
176.34270	1.3
179.01897	15.1
180.02063	1.8
181.03473	2.4
187.04504	7.3
189.02449	1.4
189.06075	1.7
191.05507	1.1
195.01408	4.7
195.05019	1.7
197.02960	94.6
198.03110	8.7
203.02484	1.3
209.06639	1.3
215.04004	50.7
216.04279	4.2
217.07137	1.4
219.02023	2.4
219.05043	1.6
221.02969	2.1
221.06703	1.8
223.08305	1.2
227.03203	3.9
229.00490	1.8
229.03534	1.3
231.05208	1.5
233.03136	2.0
233.05051	8.9
235.04613	1.4
237.06097	2.1
239.04019	2.4
245.06609	5.1
247.04643	4.5
249.06117	2.6
255.07204	1.1
257.05090	3.5
259.04407	1.1
261.06152	3.2
263.04031	1.9
263.07632	2.7
265.05533	2.6
271.04361	4.9
273.02679	1.4
273.06183	6.3
275.03638	1.4
275.06223	3.9
279.07248	1.8
281.02859	2.1
281.95819	1.2
283.06638	5.6
289.05508	8.4
291.03870	1.6
291.06998	7.9
293.05060	1.2
299.03970	13.6
300.04233	1.1
301.07657	7.7
305.02103	1.3
307.06598	5.6
309.04633	3.3
309.08179	4.2
311.05927	1.3
317.05014	14.1
318.05246	2.0
325.07809	2.6
327.05765	3.8
329.02170	2.2
329.07263	1.8
335.06134	17.4
336.06296	1.8
345.06744	3.1
347.02890	1.7
353.07162	16.9
354.07419	2.4
371.08261	34.6
372.08624	4.1
389.09314	100.0
390.09268	9.6
407.10416	5.9
412.10675	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.7
57.66934	0.5
60.75367	0.5
71.30500	0.8
72.08137	1.2
86.09699	1.7
96.10632	0.5
98.97572	3.3
107.04957	1.6
108.05291	0.8
111.04445	0.5
116.98641	2.3
117.03576	0.5
123.04388	0.5
126.48099	0.4
134.99666	1.1
139.03816	0.6
145.08412	0.6
146.06018	1.2
149.05988	0.8
151.03905	1.6
153.05443	0.5
174.05478	0.9
177.05411	0.7
185.04265	3.6
209.07828	0.7
219.06477	0.7
220.91985	0.5
225.07350	1.1
227.08900	100.0
228.09262	4.5
255.01772	2.5
273.02722	0.8
372.14352	0.8
385.99918	0.6
389.06113	1.8
389.14087	65.7
389.17926	21.5
390.14117	6.0
390.18835	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72642	0.5
59.82934	0.4
65.03955	0.7
67.05547	0.5
69.03439	0.5
69.20560	3.5
72.98489	0.9
79.05493	0.6
81.07059	0.4
85.02876	1.0
93.07036	1.0
95.04989	0.9
98.23479	0.8
105.07055	1.0
107.08578	1.1
116.01712	0.5
119.08546	0.5
121.10130	0.6
123.04250	0.7
123.08037	0.6
125.06008	0.7
125.70512	0.4
127.03683	5.4
133.10143	1.1
134.23352	0.4
135.11668	0.6
137.05957	2.0
146.51144	0.5
147.04410	0.8
151.03928	3.2
151.04985	0.8
161.04581	0.5
161.05908	0.5
165.87833	0.4
184.84767	0.4
185.04228	2.5
202.69995	0.5
206.44350	0.4
209.15356	1.3
211.09657	1.3
211.11624	0.6
223.08904	0.6
227.08890	100.0
228.09256	4.1
237.07602	0.7
237.10033	0.8
241.09618	0.5
251.08139	0.5
265.09756	1.5
273.07294	0.5
278.85156	0.4
279.07645	0.6
283.10788	0.5
289.08990	1.2
293.09158	2.0
297.08716	1.4
321.08493	0.7
335.48901	0.5
339.09491	1.0
343.12796	0.6
371.12137	0.8
389.14014	68.1
390.14359	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09723	0.4
60.60557	0.4
71.29569	0.5
81.07042	0.5
86.09689	1.2
91.05473	0.5
93.07039	0.5
98.97565	1.5
105.66245	0.4
116.98611	1.1
121.10085	0.6
127.03667	4.6
133.10051	0.4
134.99606	0.5
148.04678	0.7
185.04239	2.1
203.05225	1.2
209.15219	0.5
226.90021	0.5
227.08891	22.1
228.09102	0.8
250.50340	0.5
255.01746	1.3
265.09653	0.5
283.10568	0.5
289.08917	17.0
290.09021	0.5
293.09454	0.6
297.08710	0.5
321.08417	0.5
371.11774	0.6
371.16190	0.6
389.14102	100.0
390.14462	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92935	2.9
56.53041	2.1
56.96591	3.5
69.67405	5.3
69.67800	11.0
70.06594	3.0
72.08154	9.3
79.67544	2.1
80.19319	2.3
86.09720	5.9
87.54244	2.1
93.47018	2.3
98.23346	3.6
98.97590	31.5
107.04980	2.5
116.98619	20.4
134.99693	9.2
137.05962	4.7
141.20712	2.4
151.03882	6.0
153.05534	3.2
165.12572	3.3
203.05252	50.5
203.06993	5.2
208.10104	2.9
209.11612	2.6
227.09261	4.2
227.12508	30.8
237.00766	5.7
255.01761	21.0
273.02771	4.9
289.08990	4.3
347.04385	3.9
369.94519	2.8
389.06412	10.3
389.17380	100.0
390.15070	2.9
390.18152	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22139	0.5
54.01995	0.6
69.01552	1.2
69.01948	4.7
70.06590	0.6
77.19948	0.5
83.02083	0.6
85.02915	1.0
91.05497	0.8
98.22643	1.3
100.98327	0.6
105.07082	0.7
107.04970	1.4
107.08634	0.7
127.43721	0.6
133.06586	0.9
147.08115	0.9
151.03951	1.1
165.09221	0.8
175.07637	0.6
180.06410	0.5
183.10312	0.9
185.55115	0.5
203.05296	1.6
209.11565	1.5
211.09633	0.6
227.12540	5.5
259.05923	0.7
371.15302	1.3
389.17941	100.0
390.18365	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62825	0.8
55.46769	0.9
56.96563	0.8
67.77979	0.7
70.06584	1.0
70.23122	2.6
71.43483	0.7
84.04504	0.9
84.08176	0.9
85.02853	0.8
86.09682	1.5
89.01006	0.7
98.97595	6.0
116.98637	4.1
120.80869	0.9
123.04417	2.0
134.99654	3.2
147.04266	1.1
151.74675	0.8
203.05235	1.0
205.13838	0.8
207.02936	1.6
227.08882	5.6
227.12646	1.2
244.10818	0.8
255.01642	3.9
269.10757	1.0
389.18039	100.0
390.18304	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.9
67.05507	2.1
69.03440	3.0
69.07069	3.0
69.43043	8.2
79.05476	1.5
81.07060	1.7
85.02895	2.4
91.05487	1.6
95.08601	3.0
99.04459	4.0
99.08097	2.7
107.08649	2.6
119.08617	2.3
121.10186	3.9
123.04381	1.7
123.08096	1.4
123.51687	1.2
125.09630	1.5
131.08582	1.7
133.10121	2.2
137.05969	2.2
147.11703	1.5
149.09644	1.6
149.13258	2.1
151.03836	1.4
151.11208	1.3
157.06488	1.9
161.13342	1.8
165.05528	1.9
165.07008	2.1
165.08908	2.4
169.06406	1.4
173.13318	1.7
174.06841	1.7
180.09531	1.4
181.05013	1.9
183.07983	1.3
183.13698	1.2
184.05254	1.5
185.04230	1.8
185.05910	2.0
189.09111	2.6
197.06041	2.0
199.03944	3.1
199.07561	1.4
208.08792	2.5
209.07750	1.5
209.09561	1.9
209.15327	3.9
211.07440	7.1
212.04678	3.5
213.05479	8.7
215.03413	2.3
217.08597	1.6
221.06039	1.7
224.04576	2.2
225.05389	1.9
225.09064	3.2
227.03442	4.8
227.08896	100.0
227.16414	3.1
228.07619	1.6
228.09483	2.0
229.05002	1.7
230.05656	2.4
235.07520	2.8
236.08304	3.6
237.05649	1.4
237.08943	1.3
238.06181	2.3
239.07001	6.4
240.04266	2.0
240.07849	1.7
241.04936	5.0
242.05780	4.2
243.02844	1.5
245.04372	7.9
245.08215	2.2
251.10608	2.1
252.11388	1.5
253.08626	5.7
255.06610	3.4
256.07358	4.5
257.04379	1.9
257.08154	3.2
258.05185	4.5
259.05850	1.6
263.07056	2.0
264.07855	4.3
265.09583	2.2
267.06567	7.6
267.10953	1.6
268.07147	2.0
269.04431	3.4
269.11700	1.6
270.05225	2.9
271.09586	3.0
272.06726	1.7
273.04025	6.7
273.07602	16.9
274.04697	1.7
279.10159	7.7
281.08075	7.8
284.06805	1.7
285.07831	1.9
286.04965	1.8
287.05701	2.8
287.09259	2.5
288.06256	12.9
289.07025	3.7
290.07608	1.6
293.08917	2.7
296.10464	4.1
299.09021	9.8
300.09711	3.1
301.07010	4.3
302.07916	1.9
303.05267	2.3
303.08566	26.7
305.10352	2.4
307.09579	7.7
308.10324	1.8
309.07816	3.1
311.09747	1.5
311.12787	8.1
313.10751	3.6
316.09491	2.2
317.10297	3.2
318.07300	2.3
319.08109	4.0
320.08823	2.4
321.08908	1.6
324.10175	1.8
329.13776	3.8
331.11752	17.3
333.09796	6.9
339.12424	11.8
340.12860	2.1
341.10059	1.9
343.15366	3.0
345.13266	5.2
347.11319	1.9
356.12717	2.3
357.13364	5.8
371.14935	40.5
372.15186	3.7
389.14642	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.9
67.05507	2.1
69.03440	3.0
69.07069	3.0
69.43043	8.2
79.05476	1.5
81.07060	1.7
85.02895	2.4
91.05487	1.6
95.08601	3.0
99.04459	4.0
99.08097	2.7
107.08649	2.6
119.08617	2.3
121.10186	3.9
123.04381	1.7
123.08096	1.4
123.51687	1.2
125.09630	1.5
131.08582	1.7
133.10121	2.2
137.05969	2.2
147.11703	1.5
149.09644	1.6
149.13258	2.1
151.03836	1.4
151.11208	1.3
157.06488	1.9
161.13342	1.8
165.05528	1.9
165.07008	2.1
165.08908	2.4
169.06406	1.4
173.13318	1.7
174.06841	1.7
180.09531	1.4
181.05013	1.9
183.07983	1.3
183.13698	1.2
184.05254	1.5
185.04230	1.8
185.05910	2.0
189.09111	2.6
197.06041	2.0
199.03944	3.1
199.07561	1.4
208.08792	2.5
209.07750	1.5
209.09561	1.9
209.15327	3.9
211.07440	7.1
212.04678	3.5
213.05479	8.7
215.03413	2.3
217.08597	1.6
221.06039	1.7
224.04576	2.2
225.05389	1.9
225.09064	3.2
227.03442	4.8
227.08896	100.0
227.16414	3.1
228.07619	1.6
228.09483	2.0
229.05002	1.7
230.05656	2.4
235.07520	2.8
236.08304	3.6
237.05649	1.4
237.08943	1.3
238.06181	2.3
239.07001	6.4
240.04266	2.0
240.07849	1.7
241.04936	5.0
242.05780	4.2
243.02844	1.5
245.04372	7.9
245.08215	2.2
251.10608	2.1
252.11388	1.5
253.08626	5.7
255.06610	3.4
256.07358	4.5
257.04379	1.9
257.08154	3.2
258.05185	4.5
259.05850	1.6
263.07056	2.0
264.07855	4.3
265.09583	2.2
267.06567	7.6
267.10953	1.6
268.07147	2.0
269.04431	3.4
269.11700	1.6
270.05225	2.9
271.09586	3.0
272.06726	1.7
273.04025	6.7
273.07602	16.9
274.04697	1.7
279.10159	7.7
281.08075	7.8
284.06805	1.7
285.07831	1.9
286.04965	1.8
287.05701	2.8
287.09259	2.5
288.06256	12.9
289.07025	3.7
290.07608	1.6
293.08917	2.7
296.10464	4.1
299.09021	9.8
300.09711	3.1
301.07010	4.3
302.07916	1.9
303.05267	2.3
303.08566	26.7
305.10352	2.4
307.09579	7.7
308.10324	1.8
309.07816	3.1
311.09747	1.5
311.12787	8.1
313.10751	3.6
316.09491	2.2
317.10297	3.2
318.07300	2.3
319.08109	4.0
320.08823	2.4
321.08908	1.6
324.10175	1.8
329.13776	3.8
331.11752	17.3
333.09796	6.9
339.12424	11.8
340.12860	2.1
341.10059	1.9
343.15366	3.0
345.13266	5.2
347.11319	1.9
356.12717	2.3
357.13364	5.8
371.14935	40.5
372.15186	3.7
389.14642	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1594
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
51.02383	1.0
53.03949	2.5
55.01875	40.9
55.05507	2.5
57.03428	1.1
65.03941	10.2
67.05502	9.8
68.99803	0.8
69.03420	3.1
69.07071	4.4
71.30430	1.1
78.04715	0.8
79.05493	7.8
81.03423	1.2
81.07059	9.2
82.04200	3.7
83.08611	1.7
85.02902	7.6
85.06540	2.4
89.03942	1.1
91.05475	6.6
93.03397	2.2
93.07037	5.0
94.04193	1.4
95.04973	7.3
95.08611	7.0
97.02909	1.7
97.06554	4.0
97.10139	1.5
99.04445	1.1
103.05462	16.7
105.03397	1.0
105.04559	1.2
105.07023	4.6
106.04187	1.1
107.04958	7.5
107.08601	3.4
108.02108	1.7
109.06519	3.3
109.10165	3.5
110.03652	5.7
111.04452	2.5
115.05464	3.2
117.07034	3.6
118.04176	1.1
119.04961	1.3
119.08580	1.4
121.06519	5.9
121.10152	3.0
122.03625	4.1
123.04422	7.8
123.08063	1.1
123.11700	1.8
124.05181	1.6
125.05999	3.7
127.03909	1.0
128.06230	2.9
129.07008	9.5
130.04149	0.9
131.04932	20.1
131.08601	1.9
133.02911	0.9
133.06493	1.4
133.10138	1.6
134.03682	1.4
135.04427	1.6
135.08054	2.9
135.11696	1.5
137.02332	0.9
137.05971	37.5
138.03130	2.9
138.06316	1.0
139.03883	2.3
140.04620	0.9
142.02582	3.9
143.08606	1.6
145.06500	4.6
147.04465	2.2
147.11705	1.2
149.05995	9.4
150.06314	0.7
151.03918	3.4
151.07538	2.2
151.11147	1.2
153.05472	5.3
155.07098	1.5
156.41466	0.8
157.06500	7.8
159.04453	2.3
159.08086	1.2
159.11722	1.4
160.05231	3.8
161.05994	4.5
161.09584	0.8
162.06776	0.8
163.03925	1.6
163.07544	10.2
165.05492	2.1
166.05885	0.9
167.07053	22.1
167.08250	0.8
168.07472	1.2
171.06554	4.9
173.05986	1.9
173.13351	0.9
174.06705	4.2
175.07536	16.9
175.11113	1.1
177.05478	37.7
177.09114	1.3
178.05865	1.9
179.07043	1.5
180.95634	0.8
181.04961	100.0
182.05243	6.6
183.06635	1.9
185.05917	1.3
187.07660	2.0
188.08322	1.1
189.05586	1.1
189.09108	11.5
191.07051	3.1
191.08607	1.5
193.08627	3.0
199.07504	1.3
201.09105	0.9
202.07816	1.0
203.08679	1.1
205.06767	1.0
205.08633	2.1
205.10298	1.0
207.06432	1.1
207.10075	1.3
209.08083	56.8
210.08409	3.0
217.06584	1.8
217.08479	6.3
218.07251	1.9
219.08087	3.0
219.10185	4.8
221.08063	1.6
221.11745	1.5
230.79703	1.0
232.08530	1.0
233.05992	0.9
233.09583	1.9
234.06767	2.3
235.07449	2.1
235.09654	3.3
239.06844	1.0
243.21489	0.8
246.06697	1.6
247.07608	2.2
249.09155	3.5
251.10651	1.0
261.09113	4.5
262.06302	1.2
262.09824	0.8
263.17877	1.1
264.07718	0.8
265.08591	1.5
277.08557	8.8
278.09290	1.9
279.10117	2.4
279.23279	2.2
280.07230	0.9
280.10361	1.1
281.11588	1.4
293.11722	2.5
295.09659	1.2
307.09686	1.5
309.07819	0.8
309.11246	3.6
310.11761	0.8
311.12769	1.6
321.11292	2.1
326.11591	0.9
327.12259	1.2
329.09894	1.8
329.14032	2.6
339.12335	8.9
340.13037	1.0
341.13974	4.0
345.13232	0.9
348.42795	0.9
353.14023	1.7
353.26553	1.1
357.13284	1.8
359.14984	3.1
371.14984	10.2
371.19577	1.1
372.14957	1.2
389.15936	34.0
389.21295	9.2
389.28360	1.4
390.16144	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1594
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
50.77425	5.9
55.01870	45.0
55.05517	11.5
56.62527	7.7
57.03424	8.3
57.26785	6.8
59.99270	6.9
65.03941	30.2
67.05504	20.3
69.07076	13.7
69.19310	40.8
69.19731	23.4
76.26870	9.8
79.05490	26.0
81.07065	31.8
85.02898	9.1
91.05458	22.5
93.07029	18.3
95.04984	18.6
95.08599	13.9
97.06525	30.1
103.05453	13.5
105.07027	18.9
107.04968	9.0
107.08620	13.2
107.25388	7.5
109.10181	11.4
110.03671	16.5
111.04437	18.3
117.06961	9.3
119.04941	16.2
119.08601	9.6
121.02860	17.1
121.06451	12.8
121.10140	12.6
123.04408	65.5
124.04774	8.2
125.06002	11.2
128.06114	7.6
129.07036	16.2
131.04904	27.9
133.10143	16.4
135.08066	8.0
137.05960	74.4
137.96393	7.0
138.06296	13.6
139.03879	40.9
140.04265	20.4
145.06467	10.3
147.04425	24.7
147.08060	9.1
149.06033	10.6
151.03897	35.4
151.07510	20.5
153.05472	42.1
153.06557	7.7
157.06458	13.7
159.08130	8.4
161.05920	17.5
161.09639	12.7
163.07547	11.9
165.05573	12.9
165.07024	10.0
167.06998	20.8
173.06050	8.9
174.06804	16.0
175.07570	60.1
175.85501	6.9
177.05441	27.2
181.04993	51.2
181.06436	14.2
183.06526	15.0
187.03967	9.7
187.07347	9.0
189.09134	18.3
191.06956	10.0
193.08635	23.2
201.09082	10.6
207.06471	11.8
209.08101	19.1
211.07478	13.7
217.08614	27.7
219.08192	11.6
219.10117	66.2
221.10765	8.2
223.07552	9.7
225.09163	14.0
227.06961	11.6
235.07521	10.9
235.09666	22.5
239.06987	15.1
240.07790	17.2
242.05716	13.4
249.09045	15.3
251.07066	8.9
253.08557	33.3
253.12331	16.0
254.09489	8.7
267.10336	9.1
268.07260	8.4
269.08209	16.2
273.07568	9.5
277.08588	13.5
281.08005	20.9
281.11786	11.0
283.09686	20.5
295.09592	9.9
299.12689	15.9
303.08566	45.7
309.11020	8.8
313.10690	29.0
313.14169	11.8
327.12231	100.0
328.12738	11.6
331.15396	9.2
339.12207	18.8
341.13971	16.0
359.14932	42.1
371.14948	28.0
371.28229	7.1
372.15546	9.4
384.07993	7.2
389.15836	54.1
389.21420	32.2
390.27130	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.8
55.05489	0.4
64.71487	0.3
65.03944	0.7
67.05517	0.7
69.03419	1.1
69.05418	3.0
69.05830	0.9
69.07044	0.6
71.04973	0.6
76.07281	0.4
79.05484	1.4
81.07065	1.6
89.03919	1.9
91.05466	1.3
93.07036	2.3
94.06584	0.8
95.07346	0.6
95.08597	1.0
96.08121	1.4
97.06541	0.7
103.05527	0.5
103.67429	0.3
105.03412	0.4
105.07016	1.0
107.04908	0.9
107.08594	1.4
108.08115	0.9
109.06482	0.7
109.10159	1.1
110.09675	2.1
111.08000	0.3
116.04976	7.2
116.05766	0.4
119.04942	0.8
119.08577	0.9
120.08099	2.0
121.06506	0.4
121.10135	1.3
122.06029	1.6
123.04440	5.0
131.04955	0.6
131.08507	0.4
133.06416	0.6
133.10123	0.6
134.06026	0.9
135.11688	0.8
136.07594	1.5
137.06000	2.0
138.09119	2.3
139.03909	1.4
144.04448	17.7
145.04898	0.8
146.06046	0.5
147.04430	1.7
148.07588	1.2
149.06058	0.4
151.03917	2.8
161.05942	0.7
162.05496	5.0
163.03902	0.5
165.05486	1.3
166.08652	3.1
167.07028	2.0
167.08401	0.4
172.03934	64.2
173.04283	2.3
173.05965	1.2
173.09671	0.4
177.05440	0.8
179.06990	0.5
181.04965	1.0
190.04968	0.6
191.07050	0.7
193.08568	1.9
204.06563	100.0
204.40010	0.4
205.06885	5.0
205.08623	0.6
205.14200	0.8
207.06371	0.4
209.08084	0.4
209.15355	0.4
217.08479	0.4
219.10161	1.4
266.69592	0.4
276.13278	0.4
303.08664	0.5
329.10144	0.5
339.13342	1.5
345.13312	0.9
357.14413	15.0
358.14627	1.2
371.15195	0.7
376.59543	0.4
389.15845	1.3
389.21454	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1781
Annotation	Asn Gln Gln
Peak:m/z	Relative Intensity
53.58390	0.3
62.75362	0.3
69.03445	0.3
70.98929	0.4
77.86349	0.3
85.02908	0.5
85.78675	0.2
92.93883	0.3
93.07052	0.3
94.63991	0.3
105.07003	0.5
127.03835	0.3
184.09691	0.4
210.11223	0.4
227.09033	1.3
227.12625	0.7
228.12407	0.4
355.80353	0.3
371.16782	0.8
371.76074	0.3
389.17819	100.0
389.57724	0.2
390.18176	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56295	0.2
69.31497	0.2
69.49191	1.4
69.60623	0.3
71.77540	0.2
72.67159	0.2
83.23962	0.2
98.97588	2.0
108.61812	0.2
116.98609	1.1
134.99596	0.3
145.89822	0.2
147.42287	0.2
151.03889	0.4
165.15184	0.2
185.04323	0.3
203.05234	1.4
209.11478	3.1
225.07310	0.3
227.05251	2.4
227.08891	0.8
227.12540	5.0
228.12927	0.4
255.01834	0.8
273.02728	0.3
309.27863	0.2
389.17841	100.0
390.18161	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1781
Annotation	Asn Gln Gln
Peak:m/z	Relative Intensity
51.41048	0.3
54.91639	0.3
57.11933	0.3
66.37936	0.3
69.79862	1.1
98.23288	0.4
107.04955	1.0
111.83317	0.3
121.63438	0.3
132.96425	0.3
133.06493	0.8
147.08028	0.5
154.00024	0.3
174.60785	0.3
175.07578	0.8
203.05278	2.3
209.11488	4.3
217.05475	0.3
224.68896	0.3
227.12541	4.0
236.79822	0.3
308.01495	0.3
389.17816	100.0
390.18121	6.2
405.60754	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11909	0.3
57.02943	0.3
69.68135	1.3
78.64292	0.3
80.52690	0.3
86.09713	0.3
94.77422	0.3
126.51042	0.3
174.88312	0.4
175.07613	0.4
203.05267	1.0
209.11491	4.1
209.13284	0.4
227.05278	1.6
227.12529	5.6
227.95500	0.3
256.51700	0.4
389.17838	100.0
390.18152	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1803
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
50.81925	2.9
53.03941	4.6
55.00291	3.0
55.01868	18.2
55.05513	15.0
55.05729	2.6
57.03442	6.1
61.02917	2.7
67.05503	11.4
69.03429	30.9
69.06278	6.1
69.06680	23.9
69.07077	24.6
71.04994	13.5
75.80121	3.0
79.05489	29.2
80.28807	2.8
81.03418	6.4
81.07052	32.8
83.04988	10.9
84.44123	3.0
85.02920	15.3
85.06554	10.9
89.39963	3.1
91.05472	18.3
93.07041	60.9
95.04967	11.1
95.08607	13.9
97.02878	6.8
97.06541	20.5
99.04469	23.5
99.65708	2.8
105.07024	36.2
107.04928	3.8
107.08591	71.6
108.08932	3.7
109.05827	2.8
109.06493	14.1
109.10144	4.5
111.08076	6.4
113.05993	4.7
117.07011	5.2
119.08571	14.6
121.06496	18.6
121.10139	43.7
123.04443	3.3
123.08095	9.2
125.09615	7.0
127.03924	9.5
127.07589	4.8
130.07788	4.0
131.08633	5.8
133.10156	8.7
135.08047	7.9
135.11699	18.4
137.05994	6.9
139.10249	3.7
139.11131	15.8
145.05020	3.1
145.10126	36.2
147.04506	3.2
147.08028	3.0
147.11697	8.3
147.58586	2.7
149.05945	4.7
149.09634	23.4
151.03935	10.0
151.07570	11.1
153.05534	3.5
153.09181	3.8
163.11183	100.0
164.11580	2.9
165.12660	3.0
167.07101	3.3
167.10667	42.1
169.08600	93.5
170.08945	3.2
170.11087	3.1
173.09659	9.3
173.13213	3.5
181.05042	3.1
181.12238	30.3
183.13861	4.9
185.11740	7.8
191.10672	64.4
191.14308	2.8
209.11739	29.3
209.15388	4.7
215.09303	2.9
227.12790	58.3
227.16278	22.0
228.13014	3.2
279.10797	2.9
279.16345	3.3
293.09158	3.3
295.62677	3.2
339.09689	3.1
356.75546	3.4
389.06296	3.9
389.21262	9.2
389.25729	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1956
Annotation	Aristelegin B
Peak:m/z	Relative Intensity
53.03946	0.9
53.25937	0.3
55.01870	0.6
55.05505	0.4
58.91600	0.3
63.02394	0.4
63.40035	0.3
65.03931	1.4
66.04703	0.5
67.05493	1.6
67.48659	0.4
69.07076	2.7
69.45009	2.0
78.04700	2.4
79.05481	3.2
80.06229	0.5
81.03364	0.6
81.07047	1.0
83.04979	1.0
84.45749	0.3
85.02850	0.4
91.05472	7.1
93.03419	0.8
93.07026	1.4
94.04173	1.2
95.04964	12.1
95.08610	0.5
96.05725	0.8
97.06536	0.6
103.05463	3.4
104.06203	0.5
105.03356	1.2
105.04503	0.6
105.07030	5.1
106.04192	2.4
107.04950	8.1
108.05769	3.5
109.02850	0.5
109.06533	1.9
110.03662	0.7
115.05448	1.0
117.06993	1.3
118.04181	0.3
119.04927	1.1
119.08570	1.0
120.05692	1.0
121.06509	6.4
122.03629	0.8
123.04435	7.4
123.08050	0.4
124.05215	5.8
125.05949	1.9
129.06992	0.9
130.07762	0.9
131.04913	1.4
131.08546	0.7
132.05696	1.2
133.02834	0.8
133.06512	1.9
134.03636	2.0
135.04440	2.6
135.08052	10.7
136.05193	6.9
137.06003	3.4
138.03137	0.8
138.06729	3.5
139.03893	0.7
139.07538	16.0
140.04684	3.6
140.07813	0.5
141.05453	2.8
142.07745	0.7
143.08553	1.4
145.06468	1.2
145.10136	1.0
146.07285	0.6
147.04410	1.1
147.08028	3.2
148.05141	1.0
148.08821	2.3
149.05957	1.9
150.06776	1.8
151.03920	1.7
151.07533	100.0
152.04657	3.5
152.07867	3.6
153.05450	0.7
153.09103	0.6
154.06201	0.7
155.07024	9.0
155.08325	0.5
156.07364	0.4
157.10150	0.5
158.07236	1.8
159.08018	2.2
160.08817	1.2
161.05959	0.9
161.09521	0.5
162.06728	1.6
163.07542	3.3
164.00821	0.4
164.08308	4.6
165.05469	16.0
165.09100	13.0
166.02631	0.5
166.06226	3.4
166.09483	0.6
167.07033	80.6
168.07382	2.9
171.06522	1.6
171.08064	1.6
173.09613	4.3
175.07509	1.0
176.08296	3.3
177.09068	1.2
178.06247	0.8
178.09854	0.4
179.10661	25.9
180.07829	1.5
180.11011	1.2
181.03317	0.8
181.04968	16.7
181.08582	27.6
182.05226	0.5
182.08926	1.1
183.06523	12.6
186.10422	5.1
187.07527	3.3
188.08022	0.5
189.09009	0.7
191.10658	4.9
193.08569	1.6
195.10168	16.8
201.09111	10.2
202.09874	13.8
203.10434	0.7
204.07787	0.6
205.12326	0.9
211.09697	2.0
217.12225	30.3
218.09442	0.5
218.12563	1.9
219.10085	1.8
220.10954	0.4
221.11751	0.6
223.13423	0.9
233.11700	5.8
235.13278	33.9
236.13672	1.6
244.11678	0.4
251.12776	28.7
252.13101	1.3
277.94302	0.4
283.09723	0.5
293.11603	0.6
307.13403	0.7
308.13864	0.5
315.12170	0.7
337.64890	0.4
339.15903	1.1
357.16870	0.5
371.18478	7.5
372.18726	0.7
389.19635	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1956
Annotation	Rubrisandrin B
Peak:m/z	Relative Intensity
55.05505	1.9
55.19236	0.7
69.07064	1.5
69.51337	1.7
69.51725	1.9
78.04749	0.8
83.39262	0.8
87.30771	0.7
87.89690	0.7
91.05478	0.9
95.08609	1.0
98.23370	0.7
105.06981	0.9
106.21867	0.7
107.08591	1.0
109.06512	1.0
115.05427	0.8
120.06419	0.7
126.25323	0.6
128.06229	1.2
129.07089	0.8
134.42229	0.7
137.05968	2.3
141.07007	0.8
143.08540	0.8
153.07068	1.6
155.04945	1.0
155.18266	0.8
156.05679	1.9
161.05933	1.4
165.07014	2.0
167.07068	9.0
167.08458	1.2
168.05751	1.8
169.02885	1.0
169.06493	1.8
170.07298	2.0
171.08107	1.2
173.06050	1.6
179.08537	1.1
180.05704	0.8
181.06523	2.4
182.07245	1.2
183.04457	1.4
183.08031	1.8
184.05203	8.0
185.05836	1.3
187.07602	1.6
189.09195	1.1
195.08101	2.1
196.05179	1.8
196.08754	0.9
197.05960	4.1
198.06754	8.9
199.07539	15.8
200.04779	0.8
200.07971	1.3
201.05449	2.8
205.08501	1.1
208.05078	0.8
209.06039	1.6
209.09618	0.9
210.06778	1.6
211.03874	1.4
211.07515	4.1
211.11292	1.0
212.04741	5.1
212.08286	2.1
213.05450	5.7
213.09116	3.1
214.06157	2.8
215.06996	2.7
219.10176	1.0
221.11707	2.2
222.06784	1.0
222.10191	1.2
223.07501	2.2
223.11259	1.0
224.08437	1.0
225.05518	1.3
225.09059	2.7
226.06248	12.5
227.07018	50.9
228.07668	7.6
229.04971	7.1
229.08615	2.3
230.05707	1.9
235.07549	1.7
235.13246	1.2
237.05554	1.2
237.12668	1.3
238.06242	1.7
239.07063	2.6
239.10675	3.5
240.04181	1.2
240.07722	4.5
241.04958	2.0
241.08586	14.9
242.05702	2.3
242.09245	1.9
243.06551	5.4
243.10114	0.9
244.07317	8.3
245.08018	6.4
250.09865	2.6
251.07080	1.4
251.10594	0.9
253.08585	1.5
254.05768	2.7
254.09480	0.8
255.06544	17.0
255.10013	3.5
256.07242	5.3
257.04480	3.0
257.08090	9.2
258.05249	1.2
258.08719	1.5
259.05826	0.9
259.09674	10.2
260.10339	0.9
261.07541	0.8
265.08423	1.0
265.12225	3.9
266.09491	1.0
266.12775	1.6
267.06711	0.8
267.10147	3.5
268.07379	1.7
268.10782	1.4
269.08078	10.3
269.11343	1.6
269.15054	0.8
270.08841	1.7
271.06125	2.3
271.09448	1.9
271.13205	1.2
272.06793	8.2
273.07639	12.7
273.10880	1.7
274.08139	0.9
278.09302	1.0
279.09976	1.1
281.08109	2.5
281.11514	1.8
282.08774	1.4
282.12372	1.5
283.09662	5.4
283.12769	0.9
284.06995	1.4
285.07556	1.7
286.08337	3.3
287.09128	32.1
288.09885	23.1
289.10352	3.7
293.11798	2.7
294.12491	2.0
295.09695	3.1
296.10452	2.3
297.14847	9.1
298.15030	0.9
299.09137	1.6
300.09863	1.0
301.10712	7.9
302.11209	0.9
303.08606	2.1
304.09085	1.1
310.12021	2.3
311.12769	2.5
314.15207	1.0
315.12289	1.7
317.10016	5.4
319.11795	14.7
325.14331	45.9
326.14948	7.8
327.12292	1.6
328.12857	0.9
329.17410	3.8
342.14526	1.0
357.16971	22.6
358.17322	1.5
374.17291	9.1
375.17551	1.0
389.19577	100.0
390.19876	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1957
Annotation	Rubrisandrin B
Peak:m/z	Relative Intensity
52.32473	1.2
53.86386	1.0
55.05519	1.5
69.13215	1.2
69.50143	5.6
77.76989	1.0
92.45951	1.0
98.22498	1.3
115.95021	1.0
128.06184	1.7
137.05974	12.6
141.07002	1.4
143.08487	1.3
145.06505	1.3
153.06938	1.5
156.05652	3.0
159.08087	1.3
161.09619	2.2
165.07175	2.0
167.07056	11.8
167.08405	1.7
169.06500	3.5
170.07240	1.5
171.08006	1.8
173.06007	4.6
179.08467	1.4
181.06488	4.9
183.04417	3.1
183.08063	2.7
184.05196	14.3
184.83571	1.0
185.05943	1.6
187.07535	2.3
189.09113	4.2
195.08105	2.3
196.05099	2.5
197.05980	5.5
198.06757	13.3
199.07532	26.3
201.05455	4.2
203.10722	1.5
205.08572	4.1
210.06754	1.6
211.04005	1.8
211.07564	3.0
212.04735	7.1
212.08257	2.9
213.05493	8.4
213.09030	5.1
214.06206	4.1
215.07027	4.4
216.07677	1.4
219.10156	4.1
220.10909	3.0
221.05989	1.3
221.09801	1.5
221.11630	5.4
222.10350	1.6
223.07594	2.7
225.05482	4.0
225.09109	3.1
226.06223	17.9
227.07013	66.7
228.07684	9.3
229.04974	11.3
229.08531	3.7
230.05624	2.0
235.07533	1.4
237.09134	1.3
237.12685	1.6
239.06987	2.6
239.10684	3.6
240.04140	2.0
240.07797	2.4
241.04900	3.3
241.08586	16.4
242.05663	4.0
243.06477	8.2
244.07266	12.5
245.08049	6.4
250.10042	2.1
251.07050	2.4
251.10617	3.1
253.08501	3.5
254.05743	6.8
254.09441	1.1
254.13155	1.6
255.06554	24.6
255.10202	5.1
256.07227	6.1
256.10574	1.5
257.04483	3.5
257.08109	10.8
257.10672	1.5
258.08875	2.5
259.09647	18.7
264.11432	1.4
265.12125	5.3
267.10153	3.6
268.07269	2.1
269.08090	12.5
269.10999	1.5
269.15396	1.3
270.08557	2.7
271.06009	3.0
271.09790	1.6
271.13165	1.7
272.06726	11.1
273.07578	17.3
273.10858	2.2
274.08112	1.6
279.10217	2.0
281.08069	3.1
281.11633	2.3
283.09604	4.3
283.12988	1.5
285.07819	2.7
285.11014	1.4
286.08374	3.5
287.09119	53.4
288.09842	29.5
289.07291	2.1
289.10590	5.3
293.11768	3.4
294.12527	2.7
295.09637	2.1
296.10553	1.6
296.13913	1.3
297.11664	1.9
297.14917	8.0
299.09222	2.0
299.12607	1.8
300.09891	1.5
301.10745	12.0
302.11041	1.6
310.11868	3.0
311.12775	4.3
313.10791	1.6
314.11658	1.6
314.15198	1.6
315.12216	3.2
317.10162	6.6
319.11740	22.5
320.12091	1.7
325.14322	50.3
326.14914	12.2
327.12277	1.6
328.12985	1.8
329.17499	5.6
357.16998	36.3
358.17416	5.0
374.17206	8.9
389.19562	100.0
390.19962	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1957
Annotation	Rubrisandrin B
Peak:m/z	Relative Intensity
51.52110	1.4
55.05524	2.6
55.21323	1.3
59.52056	1.2
65.15017	1.4
67.05511	2.5
69.07066	2.5
69.32533	7.2
79.05508	1.8
80.33959	1.4
81.07074	4.9
83.05004	1.7
83.08637	2.3
91.05502	2.2
93.07036	3.3
95.08635	4.0
99.04455	2.4
105.07042	3.0
107.08624	1.8
109.06530	1.7
109.10184	2.7
119.08551	1.8
125.06005	2.4
129.06975	1.7
137.05974	12.5
143.08623	1.9
145.06538	1.8
152.06148	1.4
153.07025	1.8
156.05711	1.5
157.06395	1.6
157.10242	1.5
158.07318	1.6
159.08142	3.1
161.09642	2.5
165.07021	1.4
167.07100	12.6
168.05763	2.2
169.06596	1.7
171.08109	2.2
173.06041	3.1
175.07619	2.1
181.06561	2.6
183.04518	2.6
184.05194	11.7
185.05998	2.3
189.09109	3.3
196.05293	2.5
197.06056	6.0
198.06740	8.2
199.07535	25.2
199.11130	1.5
200.07957	1.6
201.05560	3.0
204.07791	2.0
205.08675	4.6
207.11821	1.8
209.09779	1.9
211.07687	2.4
211.11263	2.3
212.04784	5.9
212.08331	3.4
213.05443	7.4
213.09146	4.5
214.06221	2.8
215.07002	3.2
219.10248	4.7
220.11035	4.4
221.09840	1.5
221.11592	6.4
222.10342	2.1
223.07651	2.8
224.08392	1.5
225.05522	2.9
225.09126	3.1
226.06270	12.5
227.07022	69.1
228.07660	8.5
229.04951	10.0
229.08669	3.3
230.05743	2.4
231.10210	1.6
235.07588	1.8
237.05548	2.1
237.12790	1.9
239.07155	2.4
239.10559	2.2
240.07874	3.0
241.05064	2.0
241.05862	1.5
241.08574	21.1
242.05882	4.2
242.09468	2.4
243.06525	7.5
244.07326	12.3
245.08174	5.2
251.07091	4.0
251.10901	1.7
253.08633	2.3
254.05684	6.5
255.06544	23.7
255.10291	4.7
256.07291	4.9
257.04510	2.7
257.08176	12.0
258.08829	2.1
259.09656	21.0
260.10284	2.5
265.12372	5.0
267.10260	3.3
268.07388	2.8
269.08072	11.1
271.06033	2.3
271.13257	1.9
272.06830	10.2
273.07507	15.8
273.11160	2.0
278.09454	1.6
279.10318	2.2
280.10452	2.0
281.08167	1.6
282.09070	2.8
282.12598	2.5
283.09647	7.1
285.07724	1.8
285.11392	2.0
286.08325	3.9
287.09113	52.8
288.09827	24.1
289.07401	2.0
289.10724	4.3
293.11893	4.4
295.09869	3.6
296.10535	1.7
297.14847	10.1
299.09036	2.4
300.10016	2.3
301.10678	11.4
302.11279	2.5
311.12836	6.0
313.10718	1.9
314.11557	1.8
315.12375	3.7
317.10373	5.0
319.11719	18.0
319.14926	2.3
320.12259	2.0
325.14352	45.2
326.14926	13.8
327.12329	3.0
329.17542	4.0
342.14450	1.8
343.14636	2.4
357.16904	37.8
358.16870	7.7
374.17303	8.2
387.16275	1.6
389.19662	100.0
390.20145	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1958
Annotation	Rubrisandrin B
Peak:m/z	Relative Intensity
51.73980	0.9
55.05509	2.2
57.07080	2.1
67.05511	2.5
69.07066	3.2
71.64723	1.1
79.05492	1.8
81.07065	6.6
83.04950	1.4
83.83662	1.0
89.94570	1.0
91.05494	2.8
93.07066	2.4
95.08626	4.6
105.07029	1.6
107.08584	2.5
109.06489	1.7
109.10183	1.2
109.87638	0.9
117.06973	1.2
121.10124	1.5
123.04410	1.1
123.08073	1.4
123.11736	1.3
128.06219	1.5
129.07042	1.9
137.05974	16.8
137.13222	1.7
149.02295	1.5
152.06244	1.8
153.07005	2.1
156.05731	1.9
159.08095	1.3
161.05933	1.3
161.09641	1.6
167.07066	14.9
168.05806	1.6
169.06523	3.0
170.07275	2.7
171.07990	2.0
173.06052	3.0
175.07545	1.5
181.06525	3.7
181.08540	1.1
182.07326	1.9
183.04515	2.0
183.08029	1.5
184.05200	12.5
185.05943	3.2
185.09599	1.5
189.09113	5.4
191.07021	1.3
192.95203	1.0
194.07465	1.3
195.08081	2.8
196.05244	2.5
197.06009	6.4
198.06738	11.2
199.04021	1.1
199.07541	24.2
199.09291	1.8
201.05530	3.5
204.07912	1.9
205.08644	5.6
207.10139	1.6
209.09973	1.1
211.04002	2.1
211.07639	3.3
212.04738	5.9
212.08298	2.3
213.05492	7.4
213.08980	5.3
214.06273	3.1
215.07097	4.1
217.08464	1.1
219.08334	1.2
219.10077	5.6
220.10931	2.1
221.09976	1.3
221.11826	4.3
222.10327	2.2
223.07657	2.4
225.05524	2.5
225.09201	1.7
226.06255	14.5
227.07013	59.8
228.07556	8.4
229.04933	9.5
229.08533	2.8
230.05791	1.9
233.11760	1.7
235.13367	1.3
237.05450	1.9
237.09149	1.3
237.12749	1.2
238.06142	1.3
239.03482	1.9
239.07120	2.5
239.10678	1.5
240.04262	2.3
240.07777	3.4
241.04964	3.7
241.08606	12.9
242.05714	3.8
242.09421	3.0
243.06583	6.1
244.07277	11.7
245.08035	6.4
249.08987	1.4
250.09929	2.2
251.07047	1.4
251.10736	2.1
253.05130	1.5
254.05707	7.4
255.06592	24.4
255.10226	5.0
256.07135	4.9
256.10947	1.5
257.04529	4.1
257.08130	9.4
258.05280	1.5
258.08859	1.6
259.05841	1.3
259.06979	1.5
259.09680	18.4
260.10165	1.5
265.08691	1.3
265.12299	4.6
267.10129	3.1
268.07233	1.4
269.08063	12.0
270.08789	2.5
271.06061	3.1
271.09766	1.4
271.13538	2.0
272.06689	9.5
273.07614	13.8
273.10864	2.5
279.10193	1.8
281.08252	1.9
281.11838	1.3
282.12439	2.7
283.09711	4.6
283.13165	1.4
285.07639	2.9
286.08359	4.3
287.09140	52.1
288.09869	25.6
289.07355	2.0
289.10690	4.3
293.11722	3.7
294.12469	1.9
295.09717	1.8
296.10403	1.8
297.14786	8.7
298.15326	1.2
299.09299	1.6
299.12845	1.2
301.10678	9.3
304.09622	1.3
310.12036	2.4
311.12817	2.4
313.10712	2.4
314.11249	1.8
315.12277	3.5
317.10370	4.1
319.11722	22.9
320.12177	1.8
325.14340	43.9
326.15024	12.3
327.12247	2.1
328.13181	2.1
329.17523	4.8
342.14624	1.7
357.16916	35.8
358.17264	5.2
361.20044	2.0
374.17422	9.0
389.19635	100.0
390.19977	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56255	0.4
53.03942	0.4
63.08661	0.3
69.02822	3.3
78.04710	4.0
79.05487	1.5
81.07026	0.5
81.58530	0.3
91.05472	0.6
93.06994	0.4
95.04984	0.8
103.05456	0.7
105.03423	0.4
105.07059	0.8
106.04176	2.5
107.04963	1.2
115.05443	0.4
117.07032	0.8
118.98467	0.4
119.08591	0.5
121.06477	0.6
123.04424	9.4
124.05232	2.4
128.06207	1.0
129.06999	1.4
133.06467	2.0
134.03641	1.2
135.04424	0.4
135.08051	0.9
143.08556	4.3
144.08862	0.4
145.06512	0.5
145.10121	1.1
146.07278	1.0
146.76636	0.3
151.03864	1.9
152.04666	3.3
157.06517	0.8
159.04390	0.6
159.08102	0.6
160.08836	1.8
161.06013	1.5
161.09604	4.3
167.07037	100.0
168.07382	3.7
171.07976	1.7
172.08604	0.4
173.05966	0.8
174.06776	2.1
175.07549	1.7
175.11168	5.8
178.06282	0.8
181.08588	1.0
181.95332	0.3
188.08336	3.8
189.09105	6.4
190.09619	0.6
191.07027	1.1
192.07660	0.4
193.08635	1.2
195.10181	0.8
203.05489	0.4
203.10658	7.3
204.11353	0.9
205.08598	0.9
206.09407	1.3
220.10896	1.1
221.11723	30.1
222.12032	1.8
235.13281	55.7
235.30515	0.4
236.13593	2.6
389.19608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1959
Annotation	Rubrisandrin B
Peak:m/z	Relative Intensity
51.10910	1.5
55.05521	3.7
59.92708	1.3
67.05509	2.2
69.07066	2.9
69.40691	1.4
69.41057	10.0
79.05521	1.9
81.07056	3.6
83.05022	1.9
91.05473	1.9
93.07059	2.9
95.08631	3.7
97.06545	1.5
105.07035	3.4
107.08604	3.1
113.57702	1.5
116.77749	1.4
117.07047	1.6
121.10174	2.0
123.11673	1.8
125.05997	1.8
129.06999	1.7
137.05988	12.9
143.08553	1.7
152.06163	1.7
153.05493	1.7
156.05740	1.6
159.08081	2.8
161.09636	2.5
167.07028	7.9
167.96365	1.4
181.06483	3.6
181.08580	1.8
183.04515	2.0
183.08159	2.1
184.05199	9.7
185.05800	2.7
189.09109	2.5
196.05194	2.2
197.06003	5.6
198.06776	11.4
199.07588	20.7
200.07996	3.0
201.05528	3.0
205.08658	2.4
209.05899	1.6
210.06786	2.8
211.03859	2.2
211.07431	3.2
212.04752	4.4
212.08234	2.3
213.05542	7.1
213.09143	3.5
214.06181	2.7
215.06998	3.7
219.10152	3.2
220.10884	2.7
220.26695	1.6
221.11784	3.8
223.07620	1.8
224.08479	1.7
225.05508	3.8
225.09056	2.2
226.06248	12.8
227.07048	52.8
227.10570	3.0
228.07753	8.6
229.05011	7.7
229.08571	3.7
230.05539	1.8
235.07576	2.4
235.13193	2.0
239.06956	1.8
240.07890	4.0
241.04976	2.7
241.08611	15.4
242.05801	3.2
243.06602	6.1
244.07288	8.2
245.08080	6.0
252.07767	1.7
254.05916	2.9
255.06580	22.0
255.10223	3.6
256.07159	5.2
257.04520	3.9
257.08136	8.7
258.08588	1.7
259.09772	11.8
260.10144	2.3
265.12216	2.8
267.10324	2.1
269.08127	11.4
270.08887	2.7
271.06085	4.0
271.09488	2.0
271.13278	1.9
272.06802	7.4
273.07538	11.5
273.10248	1.5
274.08228	2.1
283.09601	5.2
283.13101	1.6
284.06897	1.7
285.07559	2.3
286.08194	3.1
287.09113	43.8
288.09891	25.1
289.10284	4.9
293.11761	4.8
294.12045	1.7
295.09619	2.8
297.11633	2.0
297.14819	8.2
299.09235	2.1
301.10663	9.9
309.11227	1.9
311.12848	5.7
315.12231	4.2
317.10254	5.4
319.11749	17.0
320.12094	2.1
325.14337	44.2
326.15009	10.0
327.15216	2.7
329.17542	5.0
342.14127	1.8
357.16928	32.6
358.17261	3.3
374.17148	6.9
389.19547	100.0
390.19919	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1958
Annotation	Rubrisandrin B
Peak:m/z	Relative Intensity
53.06419	1.1
55.05509	1.4
64.67699	1.0
65.78860	1.0
69.07055	1.2
69.11125	4.2
69.11552	4.4
79.05536	1.2
81.07058	1.2
91.05469	1.9
93.07066	1.1
105.07061	1.1
123.08044	1.0
123.21510	1.2
137.05984	8.0
141.07034	1.7
153.06978	1.9
156.05687	1.2
157.06447	1.3
159.08035	1.7
161.09589	1.8
165.06981	2.1
167.07082	11.9
167.08446	2.1
168.05753	1.6
169.06512	3.4
170.07227	1.9
173.05981	3.0
181.06541	4.6
181.08592	1.4
182.07266	2.0
183.04474	2.0
183.08096	1.4
184.05202	12.7
185.05962	2.1
187.07608	1.7
189.05490	1.2
189.09094	3.0
195.08125	2.9
196.05176	2.7
197.06039	5.5
198.06720	9.4
199.07527	22.7
200.07968	1.8
201.05539	3.4
203.10683	1.6
204.07843	1.3
205.08601	2.8
210.06766	2.3
211.03989	1.7
211.07587	5.1
211.11220	1.2
212.04741	7.4
212.08330	2.4
213.05493	7.5
213.09190	4.1
214.06256	2.5
215.07068	3.5
219.10130	3.6
220.10912	1.7
221.09781	1.8
221.11627	5.2
222.10361	1.7
223.07538	1.9
225.05528	3.3
225.09047	2.2
226.06216	13.2
227.07027	66.6
228.07657	11.0
229.04948	9.2
229.08479	2.3
230.05711	2.5
231.06561	1.5
233.09686	1.4
235.07535	2.3
236.08331	1.5
237.05495	2.5
239.07033	2.6
239.10802	3.5
240.04276	1.9
240.07892	4.2
241.04881	2.1
241.08612	18.8
242.05809	4.1
242.09097	3.1
243.06535	8.5
244.07239	11.9
245.08061	6.0
245.12024	1.9
249.09282	1.5
250.09883	2.5
251.07080	2.7
251.10667	2.6
253.05150	1.8
253.08676	1.8
254.05756	6.6
254.09288	1.5
255.06535	22.4
255.10139	4.5
256.07312	8.1
257.04565	3.8
257.08069	11.3
258.08850	3.2
259.09692	14.1
260.10248	3.0
265.12198	5.7
266.13000	1.3
267.06686	2.6
267.10135	4.0
267.13547	1.5
268.07288	2.6
269.08054	11.2
270.08786	1.9
271.06146	3.8
271.09808	2.3
271.13089	2.2
272.06818	13.5
273.07556	20.3
273.10651	2.1
274.08331	1.5
279.10056	2.8
281.08160	3.1
282.12479	1.7
283.09799	6.1
283.12839	1.9
284.06763	1.5
285.07813	2.7
286.08441	3.7
287.09122	47.9
288.09869	28.6
289.07224	2.4
289.10535	4.0
293.11789	4.1
294.12439	1.4
295.09769	2.7
297.11530	1.7
297.14752	10.6
299.09207	1.8
301.10745	9.8
310.12088	2.2
311.12793	3.5
313.10583	1.5
315.12277	4.7
317.10254	7.9
319.11703	19.9
320.12314	2.5
325.14346	46.9
326.14880	9.8
327.12155	2.1
328.12888	1.4
329.17514	4.5
342.14474	1.7
357.16949	27.4
358.17209	3.4
374.17307	10.5
389.19617	100.0
390.19980	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1959
Annotation	Aristelegin B
Peak:m/z	Relative Intensity
65.03947	1.4
65.92944	1.1
68.57074	1.2
69.07064	2.4
69.10294	7.0
69.10712	4.7
78.04707	2.0
79.05479	4.3
81.07034	2.3
83.04987	2.0
91.05468	8.2
93.07044	1.5
94.98214	1.3
95.04972	11.2
95.08636	1.9
103.05459	1.9
105.07050	6.9
106.04202	2.9
107.04955	9.1
107.08588	2.9
108.05721	4.1
108.63210	1.6
109.06519	1.4
109.10138	1.6
110.03712	2.1
111.08064	1.5
121.06499	6.8
122.03703	1.5
123.04402	7.9
123.08096	1.9
124.05199	5.9
125.06030	2.0
133.06487	1.7
134.03558	2.0
135.04414	2.7
135.08063	9.6
136.05206	6.5
137.05981	2.7
138.06763	4.1
139.07550	18.4
140.04701	2.8
141.05463	1.6
143.08533	1.6
145.10146	2.2
147.08051	3.3
148.08792	2.0
149.06000	2.7
150.06709	2.2
151.07542	100.0
152.04704	4.3
152.07863	3.6
155.07080	8.1
155.08206	1.5
158.07271	2.7
159.08102	1.7
163.07521	4.4
164.08348	5.5
165.05476	16.7
165.09111	11.5
166.06207	3.1
167.07039	83.2
168.07495	1.5
171.06573	1.8
173.09644	3.9
176.08328	2.5
179.07112	1.5
179.10670	25.9
180.07942	1.7
180.11003	1.3
181.04962	17.6
181.08583	25.3
182.08827	1.7
183.06508	11.9
186.10394	7.1
187.07547	3.4
191.10658	7.0
193.08603	2.2
195.10146	17.7
195.11703	1.3
201.09117	8.9
202.09875	12.7
203.10687	2.1
207.11757	2.2
217.10252	1.0
217.12239	28.2
221.09706	1.7
223.13126	1.3
233.11749	5.4
235.13274	34.2
236.13644	2.5
249.12814	2.5
249.16389	3.2
251.10281	2.2
251.12769	23.1
259.53845	1.5
371.18585	5.7
389.19952	2.0
389.24658	5.2
390.35901	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
54.41677	2.4
55.05518	4.4
56.11563	2.4
63.04433	2.4
67.69569	2.5
69.57641	13.6
80.63065	2.4
81.07040	3.7
83.04997	3.9
83.08642	2.7
91.05495	5.9
91.21420	3.1
95.08662	5.2
105.07020	4.3
107.08605	3.9
109.06526	7.4
111.04471	2.8
119.08632	3.5
121.06496	3.0
128.06258	2.9
129.06999	3.2
137.05995	32.7
141.07013	5.3
143.08560	4.1
145.06470	4.8
147.11742	3.5
151.07613	4.2
152.06189	3.8
153.07043	3.0
155.04915	3.5
155.08568	3.8
156.05687	4.8
157.06548	4.8
159.07974	3.5
161.09599	5.0
162.03323	3.4
165.45334	2.6
166.06224	3.2
167.07094	23.6
167.08449	4.7
168.05791	3.2
168.07353	4.0
169.06517	8.7
171.08067	5.8
173.06038	4.2
173.09631	4.2
175.07559	5.5
177.05589	3.8
181.05077	3.5
181.06516	17.7
181.08568	6.1
181.10080	3.3
182.07379	5.3
182.08881	4.8
183.07961	4.1
184.05211	32.1
185.05952	5.4
187.07617	4.9
188.08286	2.7
189.09187	5.3
195.04491	3.2
195.08119	8.8
196.05145	4.2
196.08812	2.9
197.06027	11.5
198.06812	15.4
199.07536	31.2
201.05487	4.3
201.09135	2.9
203.10733	3.4
205.08667	6.5
207.08134	4.2
209.05965	7.2
210.06569	4.1
211.07579	5.0
212.04732	6.7
212.08220	3.5
213.05414	10.7
213.09099	7.4
214.06136	3.9
215.07117	7.1
219.10175	9.2
220.10944	11.3
221.09677	4.9
221.11736	11.3
222.10457	2.9
223.07462	5.6
225.05478	4.5
225.09039	4.1
226.06224	25.5
227.07022	68.3
227.10608	5.0
228.07716	11.2
229.05031	14.5
229.08548	4.5
230.05711	2.9
233.09705	3.2
233.11705	4.4
235.07663	2.7
237.12715	3.1
238.06480	3.2
239.07050	3.2
240.07852	7.1
241.04991	5.3
241.08521	18.2
242.05756	4.4
242.09444	6.8
243.06677	6.2
244.07381	21.6
245.08052	6.3
249.09113	3.3
250.09868	8.4
251.07239	3.3
251.10683	4.3
253.08644	5.6
254.05695	4.0
255.06461	25.7
255.10135	6.6
256.07303	4.5
257.04382	5.1
257.08133	13.2
258.05365	3.0
258.08902	9.1
259.09668	20.6
264.07870	4.1
265.12134	12.2
266.13138	4.4
267.10150	6.4
268.07458	3.6
269.08118	14.4
270.08774	4.8
271.06107	4.3
271.09793	2.8
271.13358	3.7
272.06824	10.0
272.09735	2.8
273.07642	16.8
273.11215	11.0
273.14963	3.9
275.09128	2.9
278.09296	4.6
279.10086	3.9
283.09677	7.7
283.13257	6.0
285.11133	3.9
286.08282	7.2
287.09137	100.0
288.09827	27.4
293.11816	13.9
294.12369	6.2
295.09531	5.8
297.14734	11.9
297.34009	2.7
299.09314	4.0
299.12918	3.1
301.10742	22.0
302.07925	3.7
302.11368	3.2
309.11374	3.0
315.12170	4.6
317.10242	9.1
319.11755	17.5
325.14325	43.5
326.15067	9.6
329.17380	15.6
342.14590	5.1
357.16962	95.2
358.17239	11.2
374.17316	10.1
389.19638	75.8
390.20175	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.6
59.04949	1.2
64.04917	1.1
67.05489	3.0
69.07063	4.0
71.31566	1.0
73.99069	1.0
76.60657	1.2
79.05491	3.2
80.63878	1.1
81.07048	5.1
83.04976	1.7
83.08639	1.2
85.62286	1.0
91.05485	4.7
93.07037	4.1
95.04942	1.6
95.08618	5.4
105.07025	4.3
107.08607	2.3
109.06529	2.4
111.04453	1.5
113.42770	1.0
115.05439	1.8
117.07013	2.7
119.08569	3.8
121.10120	1.5
123.08051	2.1
125.37801	1.0
128.06221	2.9
129.07014	3.0
131.08565	2.9
133.01335	1.0
133.10114	2.4
135.00276	1.3
137.05971	17.8
139.07552	3.2
141.06938	2.6
143.08574	3.8
145.06476	1.5
145.10168	3.7
147.08012	1.2
149.09674	1.2
151.07523	1.3
153.06999	4.1
155.08559	3.5
156.05688	3.0
157.06467	2.2
157.10165	1.8
159.08025	2.7
159.11693	1.6
161.05899	1.4
161.09618	3.7
165.06979	2.8
167.04875	1.2
167.07066	13.5
167.08450	1.7
168.05649	2.4
168.83028	1.3
169.06479	4.5
169.10165	2.5
170.07227	3.3
171.08035	3.3
171.11700	1.8
173.05989	4.9
173.09621	2.1
175.07567	1.7
175.11296	1.4
179.08559	3.3
181.06499	4.8
181.10092	2.3
182.07385	1.6
183.04442	2.6
183.08075	2.1
183.11687	2.6
184.05203	18.2
185.05904	4.0
185.13269	1.7
187.07513	2.1
188.08183	2.0
189.09097	4.3
191.06960	1.4
191.10796	1.5
193.10133	2.3
195.04477	1.4
195.08167	2.5
195.11740	4.2
196.05170	3.5
197.05962	8.4
197.09770	1.2
197.13177	5.2
198.06773	13.9
199.07550	29.3
201.05424	5.9
201.09158	2.0
202.06119	1.2
204.07816	1.7
205.08568	3.7
205.10292	1.8
206.10944	2.1
207.11705	3.9
208.08882	1.9
209.13336	2.6
210.06772	2.0
211.03960	1.8
211.07578	5.2
212.04729	8.8
212.08263	3.0
213.05478	8.6
213.09088	5.1
214.06206	4.0
215.07050	5.3
215.10687	1.4
219.08278	1.3
219.10017	5.4
220.10876	2.8
221.11516	5.5
222.10498	1.4
223.07574	2.1
224.04875	1.3
225.05440	3.5
225.09058	3.1
226.06245	19.9
227.07019	82.0
228.04262	1.4
228.07652	11.1
229.04977	11.2
229.08571	5.0
230.05664	3.8
233.09595	2.1
233.13234	2.0
235.07542	2.7
235.14917	2.4
237.05469	3.3
237.09024	1.7
237.12715	2.8
239.03459	1.6
239.07091	2.7
239.10599	3.1
240.04144	1.7
240.07799	5.6
241.04936	3.4
241.08582	19.5
242.05661	4.4
242.09242	3.7
243.06482	7.0
244.07321	17.8
245.08076	7.6
247.14857	2.2
249.16368	2.3
250.09909	2.6
251.06937	1.8
251.10629	2.1
251.17961	1.7
252.07790	1.6
253.04990	1.5
253.08606	2.6
253.12175	1.5
254.05693	9.3
255.06516	31.0
255.09891	6.7
256.07153	6.8
257.04395	5.7
257.08057	12.0
258.05215	1.4
258.08777	2.9
259.09637	21.4
264.11432	1.2
265.12286	5.8
267.06726	1.3
267.10092	4.0
268.07294	2.6
268.10794	1.6
269.08109	13.8
269.11087	1.7
270.08734	3.5
271.05984	3.6
271.13443	2.2
272.06839	13.9
273.07599	17.7
273.10928	2.0
274.08176	1.5
275.09174	1.4
279.10062	3.0
279.13541	1.9
281.07974	2.7
282.09155	2.0
282.12494	3.7
283.09650	5.6
284.10156	1.9
285.07724	2.7
286.08371	4.9
287.06155	2.1
287.09125	61.2
288.09866	33.8
289.07092	2.9
289.10547	5.2
290.20062	1.6
293.11722	4.3
293.19119	1.8
294.12271	2.5
295.09842	2.8
295.13065	1.4
297.14859	12.8
299.09262	1.6
299.12546	1.5
300.09991	1.6
301.10696	12.4
302.07935	1.3
303.08591	1.7
310.12018	2.7
311.12714	4.3
313.10794	2.6
314.11722	1.3
315.12131	5.0
317.10187	6.2
319.11768	22.0
325.14346	49.2
326.14981	10.8
329.17444	4.9
342.14642	2.3
357.16943	39.4
358.17273	3.9
361.25336	1.9
371.23669	2.2
374.17215	10.1
375.80884	1.4
389.19528	100.0
389.24689	27.2
390.19888	8.7
390.25067	2.7
390.54059	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.196
Annotation	Rubrisandrin B
Peak:m/z	Relative Intensity
55.05501	3.3
57.07069	1.0
61.62233	0.9
62.74399	0.7
67.05499	1.2
69.07074	3.7
76.83424	1.1
79.05492	1.4
81.07050	2.7
91.05478	3.1
93.07037	2.0
95.08614	2.6
101.06025	0.9
105.07003	1.9
107.08611	2.1
109.06525	1.3
109.10207	1.3
118.69743	1.1
123.04449	1.0
126.81186	0.9
128.06226	2.2
129.07019	1.9
131.08580	1.2
133.06445	1.1
133.10138	1.1
135.08022	1.5
137.05969	12.2
141.07004	1.0
143.08542	1.1
145.06432	1.5
145.10109	1.2
153.05437	2.1
153.06984	2.0
155.04962	1.1
155.08592	1.7
156.05658	1.6
157.06352	1.2
159.08090	1.2
159.11667	1.0
161.09645	1.7
165.07051	1.5
167.07063	10.1
168.05724	2.0
169.06517	3.3
170.07228	2.4
171.04477	1.1
171.08003	1.9
173.05974	2.7
174.06769	1.1
175.07504	1.6
177.12738	1.0
181.06490	4.3
181.08582	2.2
182.07237	1.1
183.04440	2.7
183.45744	0.9
184.05173	13.1
185.05948	2.9
187.07518	1.3
189.09056	4.3
190.10049	1.2
195.08092	1.9
196.05205	2.4
196.08800	1.4
197.05957	6.9
198.06747	8.7
199.03830	1.4
199.07527	21.4
200.08150	1.2
201.05339	2.6
201.09076	1.9
203.10709	1.6
204.07759	1.2
205.08490	4.8
208.05083	0.9
209.09488	1.2
210.06734	1.8
211.03954	2.4
211.07518	3.0
212.04655	7.9
212.08282	1.9
213.05513	8.3
213.09059	3.6
214.06192	3.9
215.06976	4.5
216.07878	1.0
219.10217	3.9
220.10873	1.7
221.09628	1.4
221.11621	6.2
222.10362	1.4
223.07527	1.9
224.08379	1.2
225.05554	2.9
225.09122	2.5
226.06250	14.5
227.07016	58.9
228.04092	1.0
228.07654	10.8
229.04980	9.4
229.08572	3.6
230.05675	1.5
231.06471	1.7
235.07526	2.3
235.13326	2.1
237.05559	1.5
237.09212	1.7
237.12903	1.6
238.06369	1.1
239.03484	1.1
239.07103	2.9
239.10609	2.2
240.04245	1.4
240.07756	2.5
241.04918	2.8
241.06207	1.1
241.08594	14.1
242.05777	3.6
242.09187	1.8
243.06514	6.3
244.07323	11.4
245.08058	6.0
245.11703	1.2
249.09064	1.7
250.09875	2.1
251.06996	1.4
251.10701	2.5
252.07855	1.3
253.08606	2.7
254.05669	7.0
254.09383	1.4
255.06531	24.2
255.09946	4.3
256.07272	5.6
256.10675	1.4
257.04526	3.4
257.08069	11.1
258.05222	2.1
258.08762	1.9
259.05917	1.2
259.06534	1.1
259.09674	17.0
260.10223	1.1
265.09229	1.0
265.12222	5.7
266.12881	1.1
267.10110	3.4
268.07242	1.2
269.08066	8.7
269.11172	1.7
270.08755	1.9
271.06033	2.8
271.09482	2.4
271.13245	1.2
272.06738	10.8
273.07605	15.7
273.10828	1.9
274.08173	2.1
275.09146	1.0
278.09494	1.4
279.10147	1.5
279.13562	1.1
281.07971	1.7
281.11938	1.4
282.09103	1.1
282.12427	2.1
283.09564	5.2
284.06662	1.0
284.10022	1.2
285.11029	1.0
286.08276	4.0
287.09116	48.5
288.09842	25.0
289.07333	1.4
289.10535	3.6
293.11798	4.4
294.12399	1.4
295.09662	3.8
296.10452	1.3
297.11581	1.9
297.14847	8.5
298.15289	1.5
299.09317	1.6
300.09665	1.6
301.10709	9.4
303.08554	1.6
310.11990	1.7
311.12808	4.1
313.10675	2.2
315.12228	2.5
317.10172	4.2
319.11719	18.5
325.14343	45.3
326.14960	12.6
327.15494	1.7
328.13168	1.1
329.17432	5.0
357.16916	29.8
358.17175	3.9
371.25644	3.2
371.29669	1.0
374.17169	9.0
375.17270	1.1
389.19528	100.0
390.19873	9.2
401.81540	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1958
Annotation	Rubrisandrin B
Peak:m/z	Relative Intensity
53.03948	3.1
55.01862	2.5
55.05510	2.3
69.07064	2.4
69.23415	1.8
70.06583	5.2
71.31422	3.7
74.04961	1.9
75.60443	1.6
81.07069	2.9
88.07628	2.9
88.34863	1.8
91.05472	6.7
95.04981	4.1
105.03388	24.2
109.06539	2.4
123.04417	3.3
128.06239	2.2
129.07095	2.0
129.08907	1.7
137.05995	15.6
141.07036	2.6
143.08572	2.7
145.06506	2.5
151.07558	1.9
155.08585	2.7
156.05656	2.3
157.06462	2.4
161.09639	6.0
165.07014	4.2
167.07042	28.7
168.05731	4.5
169.06491	5.5
170.07352	2.7
171.08052	3.3
173.06033	2.0
174.06824	1.7
180.05713	2.7
181.06462	7.8
181.08575	2.0
183.04515	4.4
183.08145	2.6
184.05214	18.6
185.05994	4.8
185.09753	1.8
187.07513	3.0
188.08383	3.5
189.09102	4.9
194.10637	1.8
195.08122	3.0
196.05273	3.6
197.06004	8.2
198.06734	12.6
199.07541	35.5
200.07942	2.7
201.09201	2.6
202.07736	2.1
203.10551	2.9
205.08598	4.7
208.08820	2.0
209.06023	4.9
211.03926	3.9
211.07661	4.5
212.04703	8.5
212.08258	3.6
213.05455	10.6
213.09048	8.5
214.06166	2.8
215.06932	4.9
219.10165	6.9
220.10999	4.6
221.09708	2.9
221.11630	10.7
223.07498	2.8
225.05424	3.5
225.09163	4.3
226.06200	13.4
227.07011	58.7
227.10562	2.4
228.07758	14.9
229.03006	2.0
229.04666	8.6
229.08499	4.0
231.10143	2.3
233.09593	2.8
233.11688	2.3
233.32477	2.3
234.10149	2.2
235.07626	4.4
235.13292	14.6
237.05420	2.5
237.12689	3.5
239.06969	4.7
239.10660	4.4
240.04250	2.9
240.07619	2.8
241.04912	4.1
241.08597	18.7
242.05629	2.6
242.09286	4.2
243.06543	7.8
244.07298	14.1
245.08102	5.5
247.07469	7.1
249.09203	2.8
250.09891	5.1
251.06999	4.2
251.10651	3.3
253.08441	3.4
254.05579	3.8
255.06415	16.8
255.10214	5.2
256.07266	4.8
257.05911	6.6
257.08200	10.2
258.06464	3.0
258.08890	4.7
259.09692	11.9
261.09052	2.2
265.08398	2.5
265.12402	9.4
266.13083	3.5
267.10110	4.7
268.07455	2.9
268.10800	2.9
269.08008	11.8
269.11465	1.9
269.15591	2.3
270.08798	3.6
271.07477	3.6
271.10071	2.9
271.13315	4.0
272.06470	3.0
272.08456	5.3
273.05304	1.9
273.07706	14.2
273.11243	8.1
275.06952	5.8
278.09363	2.0
279.10217	2.5
283.09708	5.9
283.13065	3.5
285.05399	14.1
285.08063	1.7
285.11407	2.9
286.06094	9.5
287.06213	3.7
287.09174	58.6
287.12344	3.2
288.04224	2.3
288.09903	20.5
289.10556	4.0
293.11844	10.9
294.12329	3.8
295.09741	4.6
297.14865	16.6
299.06979	5.6
300.07413	10.7
301.04880	4.0
301.08005	4.4
301.11270	9.4
302.05618	5.1
303.06424	15.0
303.10056	4.8
307.13400	2.1
310.12051	3.2
311.12851	5.8
313.04868	6.5
314.05704	4.5
315.06247	4.6
315.09818	3.5
316.07233	4.5
317.10461	3.2
319.11707	15.2
325.14328	54.1
325.17990	3.6
326.14694	11.0
328.07269	20.9
328.32193	8.9
329.07834	11.3
329.17447	12.6
330.08582	2.7
331.05991	35.1
331.09528	4.9
331.45355	2.0
332.06696	6.2
341.04501	2.4
342.08679	2.7
343.09619	3.1
344.10236	2.1
345.07416	8.6
346.08215	15.0
356.06702	11.6
357.07635	4.3
357.12335	3.9
357.16940	77.4
358.08228	3.1
358.17181	9.0
359.05139	8.6
359.09125	7.5
360.06158	6.6
361.10699	3.3
371.09109	7.3
374.07556	27.4
374.11612	8.5
374.16998	5.7
375.08466	15.5
389.10120	100.0
389.13928	16.6
389.19519	70.8
390.10553	20.3
390.15097	2.9
390.19748	5.6
390.35852	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54923	0.5
53.03959	2.1
55.01871	7.5
55.05510	12.3
57.03433	0.6
57.07082	1.5
59.05024	0.8
65.03949	2.2
67.05503	22.1
69.03433	5.4
69.07057	8.9
69.54695	3.2
71.04995	1.1
72.19807	0.6
77.03931	0.6
79.05489	11.7
81.03423	0.7
81.07052	16.3
83.04974	7.8
83.08636	2.4
85.06551	1.1
91.05476	19.6
92.05840	0.7
93.07040	22.5
95.04973	10.1
95.08601	39.5
96.08960	1.1
97.06525	7.7
97.10176	2.6
98.22655	0.8
99.04453	1.1
103.05480	1.8
105.04532	1.0
105.07028	21.1
106.07384	1.1
106.67779	0.6
107.04961	1.4
107.08591	23.9
108.05747	1.2
108.08867	0.6
109.02853	1.0
109.06506	7.1
109.10154	12.4
111.04446	4.8
111.08060	5.7
113.06010	1.6
115.05399	3.7
117.07003	7.1
119.04987	1.0
119.06109	0.6
119.08579	17.1
119.09436	1.0
120.08818	0.6
121.06497	11.2
121.10147	7.8
123.07156	1.4
123.08062	27.8
123.11729	2.4
124.08409	1.3
125.09614	4.7
128.06192	4.9
129.06996	8.1
129.28357	0.5
130.07793	1.4
131.04932	0.8
131.08566	11.8
133.06496	2.4
133.10120	12.0
134.71823	0.6
135.04503	0.6
135.08049	16.4
135.11671	9.6
136.05197	1.4
136.08446	0.7
137.05949	3.5
137.09662	3.1
137.13300	1.6
139.07532	1.8
141.06979	7.8
141.09090	1.7
142.07779	4.2
143.04903	5.6
143.08553	11.9
145.06523	3.1
145.10109	8.3
146.07271	1.7
147.08046	9.7
147.11693	5.8
149.09610	5.8
149.13274	1.1
151.07530	14.8
152.06206	12.7
153.06990	10.1
154.06540	0.7
154.07709	3.3
155.08553	15.0
156.09383	3.6
157.06473	4.3
157.10118	11.0
157.11395	0.6
158.10606	0.8
159.08049	8.8
159.11699	4.8
160.08853	2.1
161.06017	2.5
161.09612	18.6
161.13263	4.1
162.10042	1.7
163.07558	0.7
163.11179	9.4
165.06990	15.5
166.07774	8.8
167.04910	1.8
167.08559	19.0
168.09227	3.1
169.06477	5.3
169.10107	10.4
170.10683	1.0
171.08047	4.9
171.11681	7.1
172.08781	1.1
173.09628	5.8
173.13293	1.9
174.10283	1.5
175.11180	12.6
176.11557	0.6
177.06885	0.8
177.12762	1.6
178.07747	15.5
179.08553	17.7
179.10402	1.2
180.05707	1.0
180.09319	4.4
181.06497	16.6
181.08565	2.9
181.10072	16.6
182.07100	1.9
182.10742	2.4
183.08064	15.2
183.11668	6.4
184.08559	1.7
184.11957	0.8
185.09607	5.1
185.13304	1.2
186.10417	0.8
187.11209	5.6
189.06940	3.4
189.12738	11.7
190.07770	4.5
190.13086	0.9
191.08527	11.2
192.09317	11.2
193.06519	10.0
193.10124	19.3
193.11983	1.3
194.07094	3.1
194.10767	3.6
195.08043	65.7
195.11674	11.6
195.58199	0.7
196.08496	5.0
196.12143	1.0
197.09602	11.3
197.13264	2.2
198.10092	0.8
199.07608	0.7
199.11189	3.1
201.09058	3.7
201.12770	2.3
202.07726	5.4
203.08551	10.4
204.09322	9.3
205.06555	2.8
205.10112	17.1
205.12090	1.1
206.07265	5.4
206.10876	12.7
207.08051	47.8
207.11650	25.4
207.13545	1.2
208.08543	5.0
208.12126	3.6
209.09607	41.1
209.13103	7.9
210.10091	2.8
210.13885	0.9
211.07510	1.1
211.11169	7.5
211.14662	0.8
212.11595	0.8
213.09087	5.6
213.12651	1.0
215.08577	4.7
215.10674	1.8
215.14397	0.7
216.09340	7.6
217.06697	0.8
217.10130	10.6
217.12138	0.7
218.07265	2.5
218.10883	9.0
219.08107	9.4
219.11650	16.3
220.08827	7.0
220.12402	5.6
220.14415	1.2
221.09616	49.5
221.13141	20.0
221.15312	2.2
222.10112	5.6
222.13817	3.5
223.11150	13.3
223.14603	4.4
224.11755	1.0
225.09079	2.3
225.12701	3.6
227.08675	1.4
227.10597	5.5
227.14288	1.4
228.09254	1.1
228.11226	0.7
228.15047	0.8
229.10144	9.3
229.12248	1.0
230.10829	5.0
231.08145	6.3
231.11671	12.5
232.08778	8.8
232.12355	9.1
233.09604	21.6
233.13162	14.4
234.10342	11.4
234.13846	4.0
235.07608	0.9
235.11174	20.4
235.14767	9.5
236.11667	2.7
236.15312	1.1
237.09135	1.3
237.12766	4.6
237.16368	1.0
238.13092	0.7
239.10593	4.4
239.14349	1.4
240.09219	1.0
241.10094	1.7
241.12234	1.7
242.10793	3.3
243.11668	5.1
244.08804	2.5
244.12453	2.8
245.09587	12.8
245.13239	7.0
246.10332	9.1
246.13925	2.3
247.11176	44.8
247.14818	10.9
248.11819	9.1
248.15353	2.2
249.12727	90.2
249.16342	5.8
250.13126	10.5
250.15857	0.8
250.16786	0.6
251.10681	2.2
251.14256	12.6
251.16362	0.8
252.14743	1.8
253.12248	2.4
253.15831	2.3
254.10898	1.0
255.11769	3.4
256.12274	1.5
257.09650	1.8
257.13220	8.5
258.10437	4.3
258.13812	2.6
259.11157	11.8
259.14792	6.0
260.11929	9.5
261.09375	1.0
261.12714	18.9
261.16302	2.3
262.09824	0.6
262.13321	2.9
262.16998	1.7
263.10757	3.7
263.14273	6.5
263.17813	1.3
264.11340	1.2
264.14575	0.9
265.12228	6.1
265.15784	1.7
266.12762	1.1
267.11581	1.1
267.13885	6.1
268.12286	1.5
269.13263	2.6
270.10535	1.0
270.13763	1.4
271.11179	2.6
271.14771	3.6
272.11865	2.2
272.15552	2.9
273.12708	17.4
273.16220	3.5
274.13266	2.6
274.16788	1.1
275.10983	2.5
275.14270	54.9
276.11551	1.0
276.14612	6.7
277.12244	4.7
277.15839	6.1
278.12970	1.3
278.16022	0.7
279.10709	0.7
279.13745	2.3
279.17044	1.1
281.12988	1.6
283.11087	2.2
283.14774	2.2
284.11847	0.9
284.15515	0.8
285.12704	2.2
285.16321	1.9
286.13440	1.2
287.14255	8.7
287.17865	2.5
288.14853	1.2
289.12234	1.8
289.15808	8.3
290.16595	7.2
291.13748	6.3
291.17273	3.0
293.12891	0.8
293.15353	19.8
294.15656	1.9
295.14368	0.8
296.12262	0.8
296.15469	1.4
297.12778	3.0
297.16260	1.9
298.13434	1.6
299.10907	1.1
299.14267	3.0
299.17981	1.7
300.14954	1.8
301.12247	3.0
301.15829	4.7
301.19501	2.2
303.13727	0.7
305.15598	1.5
307.13397	0.9
307.16849	1.9
310.13809	0.7
310.17212	1.8
311.14404	1.2
311.17883	1.6
313.15936	5.3
314.16315	1.4
315.13742	3.8
315.17407	7.8
315.21091	1.6
316.14404	0.8
316.17929	1.1
317.15179	1.3
317.18909	1.0
319.13379	1.4
319.16910	1.5
319.20517	2.5
323.14258	2.0
325.16190	0.9
325.19534	4.2
327.13852	0.9
327.17490	1.0
327.20859	1.4
328.18271	1.1
329.15201	1.5
329.18909	6.8
329.22586	2.3
330.19354	1.0
331.16943	1.6
331.20563	1.0
332.17636	0.8
333.14856	1.2
333.18390	3.9
335.17841	1.5
338.16620	2.0
343.16873	2.6
343.20526	21.3
343.23965	0.9
344.20856	3.9
345.18484	1.0
345.22141	5.2
347.20032	44.5
348.20337	5.9
353.18958	16.6
354.19360	1.8
361.17706	1.2
361.21634	8.7
362.21936	0.8
371.20023	47.7
372.20428	7.3
388.22507	0.8
389.20947	100.0
390.21274	15.2
390.25299	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35498	5.6
52.60098	6.2
62.79164	4.7
67.05494	7.9
69.03425	21.1
69.04258	35.7
69.04681	16.8
69.07070	13.6
71.05008	7.8
79.05478	7.0
81.07037	9.6
83.04977	13.5
85.02908	15.0
85.06539	7.9
85.73527	6.4
86.09737	6.7
89.06030	100.0
90.06361	33.6
91.05496	10.4
93.07040	12.7
95.04941	7.5
95.08595	15.6
97.10159	6.1
99.08091	8.2
105.07027	13.8
106.85175	5.0
107.08591	19.7
109.06551	6.0
109.10133	9.2
111.08102	6.5
119.08562	6.7
121.10133	22.2
123.04392	5.9
125.09623	52.5
127.87742	5.2
133.08597	49.9
133.10107	13.0
134.08946	33.5
135.08012	6.1
147.11734	6.9
149.09625	51.2
149.13234	11.3
151.11223	13.6
153.09088	9.1
163.14862	8.2
173.13222	15.3
177.11185	15.2
178.11574	11.9
191.14256	35.1
206.09038	7.4
209.15347	97.9
210.15721	6.2
227.16405	11.8
227.18411	6.6
237.10249	7.4
238.10780	7.9
241.09673	11.1
244.26154	5.5
251.08092	8.9
255.11436	6.8
265.09732	15.2
269.09305	8.0
279.07654	16.1
283.10602	6.2
287.10007	6.6
293.09122	17.8
297.08572	16.3
311.09995	9.2
321.08505	11.9
327.17844	15.4
328.48651	6.4
339.09756	22.3
343.12671	8.5
371.12296	13.4
372.23099	22.1
389.13531	43.0
389.17542	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.217
Annotation	Debiloside B
Peak:m/z	Relative Intensity
53.03952	4.5
55.01865	5.9
55.05515	11.2
57.03433	14.1
61.02922	6.1
67.05506	19.0
69.03429	50.1
69.07071	12.3
70.76115	6.2
70.76447	7.0
71.04997	11.8
79.05479	17.3
81.03432	12.9
81.07069	26.2
83.04978	22.0
85.02908	57.8
85.06550	8.3
88.94646	4.3
91.05474	15.8
93.07040	28.9
95.04952	9.4
95.08601	37.3
97.02889	20.4
97.06525	13.2
99.04473	14.7
99.08112	14.0
105.07019	30.5
107.08585	55.4
109.02859	6.6
109.06498	14.4
109.10161	18.9
111.04402	5.6
111.08082	7.1
117.06963	5.2
119.08575	16.7
121.06487	10.8
121.10146	45.5
123.08054	9.5
123.11718	15.2
125.09641	14.6
126.35272	5.1
127.03938	20.7
131.08556	10.9
133.10132	42.0
135.08035	10.5
135.11684	15.8
137.09657	5.8
139.07553	5.5
139.11198	5.7
145.04964	11.1
145.10158	16.3
147.11658	10.8
149.09619	17.5
149.13266	14.7
151.03929	4.4
151.11153	23.7
153.09059	8.9
153.12762	8.0
161.06065	5.1
163.11224	25.4
163.14775	22.5
165.12791	6.5
167.10628	13.6
169.08611	15.6
169.12263	7.5
173.13252	24.0
181.12218	11.4
183.13806	9.6
191.10693	11.3
191.14296	57.9
193.15933	5.6
209.11948	9.3
209.15363	100.0
227.12669	15.0
227.16371	33.5
237.10214	18.4
241.09760	7.6
250.89352	5.1
251.08180	14.9
265.09735	14.9
266.10266	4.4
269.09229	15.1
279.07693	22.1
280.07855	5.3
283.10791	7.6
285.02325	4.5
293.09128	24.5
297.08749	31.3
308.75320	5.2
321.08765	14.2
325.11533	5.2
339.09610	31.1
343.12924	10.8
357.10699	7.0
371.12231	18.4
389.06189	5.8
389.07889	5.7
389.13315	68.1
389.17816	30.4
390.13486	8.6
390.23022	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.217
Annotation	Debiloside B
Peak:m/z	Relative Intensity
55.01870	5.5
55.05497	6.9
56.57316	2.4
57.03429	6.6
59.04987	2.8
61.02908	3.6
62.81339	2.4
67.05497	10.5
69.03425	15.4
69.07049	5.4
69.50288	14.4
71.04993	40.4
79.05500	7.8
81.03409	12.9
81.07061	10.8
83.04987	18.2
85.02905	32.3
85.06545	11.9
91.05480	10.8
93.07067	15.9
95.04973	23.0
95.08613	11.2
97.02882	11.1
97.06546	3.2
99.04450	100.0
99.08118	3.6
105.07023	11.5
107.08596	23.1
109.02867	3.9
109.06530	5.5
109.10139	16.6
110.03606	2.5
113.09659	4.6
119.04942	2.6
119.08553	8.3
121.10133	22.8
123.04417	4.2
123.08057	14.2
123.11697	13.1
125.05975	6.5
125.09642	8.5
127.03927	6.1
131.04877	3.3
131.08595	5.3
133.10109	20.7
137.05960	10.4
137.09631	2.7
139.11172	3.4
145.04967	3.1
145.10062	3.7
147.08022	3.9
147.09172	3.8
147.11699	6.3
149.09566	3.8
149.13254	8.1
151.03905	12.3
151.11168	5.5
153.09114	8.5
161.09589	3.5
165.12874	3.0
167.07054	7.7
167.10635	3.8
169.12271	17.2
171.10162	6.7
173.07152	3.0
173.13300	10.6
175.07516	6.8
181.04927	3.9
181.08521	2.8
183.13785	20.0
189.08984	3.2
191.06871	3.2
191.08217	38.1
191.14285	9.5
209.15396	27.2
211.09579	3.8
227.16406	85.1
227.18628	5.2
228.16695	4.2
237.07631	5.4
293.09161	4.4
307.12900	13.3
313.10495	2.7
371.15619	4.4
389.12735	9.4
389.16855	9.6
389.21497	12.5
394.19147	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.217
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
52.86166	2.2
55.01884	3.1
55.05510	2.8
61.70469	2.0
65.03951	7.8
67.05493	4.0
69.03405	4.2
69.38504	1.9
70.34722	3.8
70.35079	5.6
79.05496	2.8
81.07051	2.7
83.04966	3.0
85.02894	4.6
91.05473	3.5
93.03440	4.5
93.07082	4.1
95.04990	5.0
95.08656	2.4
103.05486	5.2
105.07047	5.0
107.05003	2.8
107.08598	7.7
108.02110	4.9
109.06541	2.5
109.10166	2.1
111.04452	8.1
115.05455	4.5
121.06532	6.0
121.10139	3.5
123.04453	3.8
125.05999	8.6
125.09645	17.1
131.04912	3.7
133.06519	2.6
135.08037	2.8
137.05969	9.9
139.59621	2.1
141.05499	2.5
143.04947	4.7
145.06464	9.6
147.04398	3.6
149.05969	4.1
149.09628	20.9
151.03920	100.0
151.05028	12.6
151.07564	4.3
151.11221	5.8
152.04230	4.2
153.05464	12.9
153.09116	2.5
154.21606	2.7
161.06000	7.3
161.16370	2.1
167.10693	2.7
173.06029	10.4
175.07549	3.8
177.05470	7.8
191.07083	3.0
191.14240	10.3
193.08615	5.7
201.05505	7.8
203.05389	3.2
203.07108	6.9
207.06526	9.2
209.15372	30.2
219.06485	28.7
226.11377	2.2
227.12286	2.4
237.09259	3.6
238.10564	2.3
247.06006	3.7
250.06313	2.8
307.10031	3.2
325.10678	6.8
341.10300	3.1
343.11713	3.0
353.10059	3.3
357.13263	9.1
369.92883	2.1
389.06476	5.5
389.18103	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.9
69.03428	17.0
69.07059	15.1
69.31738	27.6
69.32167	27.3
70.06593	11.7
81.07041	23.8
83.04967	21.0
85.02921	18.1
86.09695	13.2
87.04465	8.7
89.06025	31.3
90.06378	9.5
91.05479	8.3
93.07031	15.2
95.08609	15.9
97.02872	11.3
99.04436	11.4
105.07028	11.1
107.08574	29.5
109.06523	8.3
109.10145	17.7
111.04398	13.8
112.84126	7.9
121.10115	31.5
123.04399	19.6
123.11689	18.7
125.09635	54.6
127.03871	8.8
133.08601	21.0
133.10150	13.5
134.08922	13.9
137.05968	20.5
147.08078	10.1
147.11780	8.4
149.09648	36.4
151.03906	51.9
151.04951	8.2
153.05450	100.0
153.09096	12.2
167.07051	11.3
167.10706	13.6
177.11330	8.6
178.11565	13.4
191.14296	20.7
209.15395	55.2
211.09633	25.4
227.16449	14.9
238.10751	18.7
265.09821	12.3
297.08713	18.9
319.09845	14.7
329.10815	9.0
339.09583	21.3
357.10532	11.1
371.11835	16.0
372.23056	14.7
389.13428	23.4
389.17828	89.5
389.21759	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.217
Annotation	Debiloside B
Peak:m/z	Relative Intensity
64.04980	10.1
67.05514	17.7
69.03427	23.6
69.07069	16.3
69.81332	36.3
69.81697	21.0
71.05000	23.4
74.13311	11.9
79.05489	17.3
80.61277	10.1
81.03451	10.9
81.07056	22.8
83.04980	17.7
85.02908	38.6
85.06541	16.5
91.05499	40.4
91.54428	10.0
91.73692	11.1
93.07038	43.1
95.04980	21.6
95.08616	24.1
97.02917	17.8
97.10171	12.2
99.04442	67.8
99.08086	62.2
105.03419	11.0
105.07034	26.1
107.08591	29.7
109.06501	13.2
109.10150	39.8
111.08083	35.2
121.06514	17.1
121.10180	27.9
123.11742	22.1
125.09623	27.1
127.03861	12.6
127.11205	16.5
133.10139	37.7
135.11716	16.0
137.05983	25.1
137.09526	12.0
143.10678	15.4
149.09627	22.0
149.13222	16.8
151.03949	25.7
151.11212	24.1
169.12202	18.5
175.07602	14.8
183.13831	23.8
190.32851	11.7
191.14354	35.9
193.15884	34.9
196.76878	12.6
209.15393	100.0
217.24196	11.5
225.08879	10.8
227.16397	41.8
229.53148	11.7
237.17545	11.4
241.64009	11.4
253.08792	14.6
265.09628	30.4
269.09134	17.2
273.03857	13.6
273.07327	13.7
279.07614	12.0
293.09262	44.4
297.08667	23.9
307.09918	11.6
321.08655	14.5
325.11465	15.5
329.13693	11.5
331.11789	21.6
339.09756	48.3
371.15265	18.0
389.12827	65.0
389.21216	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01873	1.1
55.05240	0.6
55.05509	14.5
57.03428	1.2
57.07075	3.7
65.03940	1.9
67.01845	2.1
67.05504	26.0
69.03441	1.2
69.07069	17.7
70.18427	0.8
71.04994	1.5
71.08633	1.2
71.14758	0.4
77.03911	0.6
79.05490	11.4
79.05957	0.6
81.07056	82.6
82.07394	1.8
83.01337	1.6
83.04982	3.4
83.08613	7.2
85.02882	0.8
85.06564	1.2
87.35098	0.4
91.05469	7.7
93.07043	16.1
94.07368	0.4
95.04972	2.8
95.08605	58.4
96.08940	2.2
96.80405	0.5
97.06506	0.5
97.10164	4.4
99.08094	1.2
103.05475	0.5
105.04539	0.6
105.07021	6.8
107.04965	0.6
107.08594	10.1
108.05728	0.6
109.06521	6.8
109.10152	22.7
111.04462	1.5
111.08083	1.4
111.11719	2.5
115.05451	0.4
117.07039	1.3
119.04933	0.8
119.08586	5.8
121.06525	3.4
121.10133	6.4
123.04443	0.9
123.08060	5.7
123.11707	16.3
124.12061	0.6
124.42723	0.4
125.06010	1.3
125.09603	0.5
125.13270	0.5
128.06155	1.0
129.07011	1.1
131.08562	2.6
133.06476	2.3
133.10155	3.4
135.08037	3.4
135.11688	3.7
137.05971	20.8
137.07031	1.0
137.09590	1.5
137.13251	4.4
138.06657	1.3
139.03886	2.4
139.07544	5.2
141.05464	5.0
142.07803	1.0
143.08524	2.2
145.06488	0.7
145.10129	2.6
146.07205	0.5
147.08047	3.7
147.11642	2.0
149.05981	6.1
149.09610	2.3
149.13260	5.2
151.07536	47.0
151.14812	2.7
152.07845	2.0
153.05501	1.3
155.07011	1.0
155.08482	0.7
157.10100	2.3
158.07286	0.7
159.08055	2.6
159.11722	1.9
161.05972	6.5
161.09616	3.3
161.13269	1.5
163.07536	2.4
163.11180	0.9
163.14864	2.5
165.04092	0.9
165.05486	16.5
165.09109	14.7
165.12717	0.4
165.16379	0.8
166.06139	1.3
166.09407	0.5
167.07034	100.0
168.07384	3.6
169.10159	0.6
171.08076	0.5
171.11671	1.4
172.08809	0.6
173.09608	1.6
173.13365	0.9
174.06734	0.7
175.07549	6.7
175.11153	2.1
175.14848	0.7
177.05498	1.2
177.09117	5.4
177.12720	0.9
177.16405	0.9
178.06230	0.6
179.07034	5.3
179.10675	4.4
180.07352	0.4
181.08566	3.5
183.11674	0.7
185.09554	2.1
185.13332	0.5
187.07567	0.7
187.11172	1.3
188.08318	1.1
189.09108	14.2
189.12741	1.7
190.09514	0.5
191.07030	7.2
191.10626	2.7
191.17963	1.4
192.07832	1.9
193.08586	7.1
193.12340	0.9
195.10170	1.0
199.11250	0.8
199.14719	0.6
201.09120	1.7
201.12901	0.7
201.16391	0.4
202.09859	0.7
203.10675	7.6
203.17714	0.5
204.11037	0.5
205.08603	6.1
205.12183	2.6
205.19493	1.8
206.09288	1.2
207.10170	11.2
208.10576	0.6
213.12781	1.0
215.10696	2.7
215.14296	0.6
216.11388	0.6
217.12271	3.7
217.19476	1.1
219.10150	4.1
219.13792	1.0
221.11690	3.7
227.06960	0.5
229.12184	1.8
231.13766	0.9
231.21140	0.4
231.84952	0.4
233.11719	3.2
233.15375	0.4
235.13286	1.6
239.14427	0.4
243.13818	1.3
245.15346	0.4
247.13322	3.2
249.14847	0.6
257.15454	1.9
261.14761	2.3
275.16391	2.5
277.18005	0.7
287.08939	0.6
343.26205	1.4
353.24667	1.0
357.16599	0.5
358.16895	0.5
361.27393	0.8
371.25858	5.7
372.26093	0.5
389.17941	1.3
389.26828	12.8
389.31375	1.2
390.27213	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.8
55.01874	12.1
55.05512	44.7
57.03456	8.0
57.07074	30.7
58.95416	1.5
65.03941	2.3
67.05503	39.6
69.03403	3.4
69.07070	87.0
70.07401	1.8
71.04979	2.3
71.08633	16.7
74.43781	2.0
79.05499	14.8
81.03416	11.7
81.07055	100.0
82.07378	3.2
82.19171	1.7
83.04988	3.4
83.08147	3.3
83.08619	53.9
84.08942	3.0
85.10172	7.4
90.23263	1.9
91.05477	11.4
93.07045	25.2
95.04937	4.1
95.08606	93.5
96.08923	2.7
97.06536	3.6
97.10166	31.8
98.23368	6.1
105.07042	14.0
107.05001	1.7
107.08587	23.1
109.02876	31.6
109.06487	4.9
109.10154	66.7
110.10487	1.8
111.04415	2.2
111.08034	4.4
111.11731	14.2
114.90486	1.6
115.03906	4.9
117.06996	3.0
119.08561	12.9
121.06499	6.9
121.10138	17.2
123.04422	5.5
123.08055	10.8
123.11698	38.2
124.12054	2.0
125.02340	30.5
125.05993	4.3
125.09615	2.8
125.13255	6.6
127.03914	95.6
128.04274	2.0
131.08571	8.1
133.10135	9.2
135.08047	7.7
135.11699	10.2
137.05980	4.7
137.09604	4.2
137.13257	26.4
139.03860	13.2
139.07544	3.8
139.14830	2.1
141.05489	11.7
143.03333	2.1
143.08490	4.0
145.06459	7.6
145.10115	9.9
147.08028	3.9
147.11656	6.0
149.09602	8.2
149.13243	7.9
151.03879	2.6
151.07506	6.0
151.14818	5.7
153.05458	8.8
155.07030	4.6
157.10081	5.1
159.08023	3.2
159.11656	5.5
160.25514	1.7
161.09584	2.8
161.13217	5.3
163.07527	5.0
163.11154	5.1
163.14813	5.0
165.05504	3.4
165.09103	6.3
165.16330	1.9
167.07071	13.2
169.08580	10.4
169.09975	3.1
171.11597	3.2
173.13248	5.8
175.11232	3.4
175.14787	4.2
177.09091	4.9
177.12704	2.0
179.07069	4.0
179.08559	1.6
179.10599	1.8
179.14197	1.7
179.17909	2.7
181.08646	15.8
181.10138	2.8
183.10184	16.9
183.11627	2.7
185.09636	2.1
185.13234	2.5
187.11206	2.0
187.14682	2.4
189.12781	4.2
191.10583	3.1
191.14296	2.8
193.08557	5.7
195.10144	11.0
195.11705	3.1
197.09691	1.7
197.11644	5.7
199.14812	3.8
201.16380	3.2
203.14302	3.3
205.15877	2.9
207.10095	5.8
207.11794	4.2
207.21040	1.7
209.11690	7.1
211.13286	3.6
213.16278	2.5
215.14482	1.8
217.12086	2.4
217.15700	2.1
219.11642	1.9
219.17378	2.0
221.11696	4.4
221.13548	2.4
223.11200	2.6
223.13240	5.6
223.15077	2.0
228.92438	2.1
231.13786	2.9
231.17360	2.1
233.13281	5.2
235.13185	2.8
237.12698	3.3
237.14818	7.2
239.16373	3.5
245.15320	2.4
247.14725	2.1
249.12627	2.1
249.14476	8.7
251.14130	2.4
251.16270	8.2
253.17899	4.9
261.18402	2.4
263.16458	11.9
265.18005	6.6
273.22089	2.1
275.14197	2.1
279.19498	5.3
290.80878	1.7
293.21222	4.0
305.21259	3.1
307.22574	2.7
319.22693	4.1
333.24292	3.7
343.29913	5.2
353.28250	4.1
371.19760	3.7
371.29474	24.9
372.29782	4.1
389.20651	4.1
389.24841	11.5
389.30399	63.3
390.25436	2.9
390.30698	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05608	1.4
61.02916	2.7
61.79539	1.4
63.34788	1.6
69.03436	6.0
69.43812	8.9
81.03426	2.8
85.02906	22.2
89.67390	1.4
90.41833	1.5
91.05473	3.4
95.01279	1.4
95.08599	1.7
97.02890	5.9
105.07026	4.4
107.04962	99.6
108.05289	1.5
119.08584	3.2
121.06530	1.6
127.03925	2.4
128.00778	2.8
133.06500	74.9
137.05971	2.2
145.04985	6.9
147.08063	30.9
150.09183	1.8
151.07587	1.4
162.09167	1.7
162.54205	1.5
175.07562	63.7
176.07904	1.9
192.10321	2.9
193.08623	53.6
194.08987	2.5
210.11217	7.3
211.09647	16.9
227.07024	2.2
228.07365	2.0
228.12317	3.8
229.06706	3.7
259.11502	2.0
354.58273	1.6
390.18408	13.4
391.15622	92.4
391.19485	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.05489	1.5
61.02901	2.6
63.32586	1.4
65.52023	1.4
67.05490	3.0
69.03423	4.1
69.47927	8.8
72.08140	1.5
72.31287	1.4
78.67881	1.4
79.05489	2.7
81.03416	3.2
81.07042	2.8
83.05000	2.5
85.02901	10.2
88.49849	1.3
91.05475	6.3
93.07061	2.6
95.04984	2.9
95.08597	3.2
97.02886	3.0
98.23409	2.8
103.05510	1.7
105.07047	6.8
107.04966	6.9
107.08610	2.0
108.08115	1.4
110.06058	1.6
111.04440	3.7
119.08578	3.9
121.06488	3.5
123.02038	1.4
123.08085	3.4
125.01546	1.4
127.03948	1.5
133.06477	8.0
135.04378	1.5
136.11229	3.0
137.05977	18.9
137.09619	3.0
138.09149	14.2
139.03932	1.9
145.02827	2.7
145.04926	1.6
147.04425	3.1
147.08026	11.4
149.02328	3.2
149.05992	7.0
151.03876	2.4
153.01064	2.2
154.12244	1.9
161.05968	8.4
164.10706	13.9
164.47186	1.6
165.09129	9.9
166.08636	1.6
171.02084	7.1
174.11227	1.7
175.07573	3.7
177.05498	5.6
179.07034	1.9
182.11742	13.8
183.10188	1.7
192.10199	8.7
193.05002	2.4
193.08640	7.5
199.03671	2.9
200.12823	2.4
210.11221	11.9
211.09660	6.6
213.58844	2.0
215.05312	3.1
228.12306	100.0
229.04723	40.8
229.12634	2.8
236.08914	1.5
273.11230	4.4
329.10046	2.5
390.18173	63.9
391.10168	26.4
391.15121	4.9
391.19556	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22855	2.4
55.05523	2.8
67.05494	4.8
69.03427	84.9
69.04311	10.9
69.04733	10.4
69.07057	4.8
75.35637	2.4
78.84303	2.2
79.05479	6.0
79.65082	2.5
81.07063	6.6
85.02850	3.3
85.06517	4.0
91.05471	5.4
92.05732	3.3
93.07015	3.1
95.04945	2.7
95.08604	4.2
97.06563	2.9
99.08089	38.5
99.77964	3.1
103.05435	3.5
105.07031	5.3
107.08625	4.2
109.06525	5.3
109.10171	10.9
111.08102	3.5
111.44575	2.7
112.19936	2.6
118.96783	2.6
119.08560	5.7
121.10094	4.0
123.08125	3.7
123.11712	5.7
133.10112	14.2
133.25464	2.4
135.11700	5.9
137.05975	3.6
151.03923	4.2
151.16870	2.6
169.32980	2.7
169.37395	2.3
175.14868	3.5
191.07019	3.7
193.15877	100.0
194.16238	5.6
211.16960	21.0
270.01907	2.3
279.87756	3.2
282.18967	2.6
357.83231	2.7
390.27130	3.1
391.18759	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.1
58.16535	1.4
62.06536	1.2
65.50163	1.4
69.03402	1.9
69.07061	1.9
70.52428	3.2
71.04989	32.4
73.06522	1.3
76.32461	1.2
79.05474	2.2
81.07053	4.8
83.08624	1.2
91.05470	3.1
93.07043	3.1
95.04978	2.2
95.08622	1.9
98.23304	1.7
99.08069	2.6
103.05495	1.6
105.07007	7.6
107.08604	3.1
108.05759	2.0
109.06540	2.0
109.10150	1.5
118.93720	1.2
119.08625	2.1
121.06487	1.4
121.10138	55.9
122.10448	2.4
123.04460	1.8
123.08028	1.8
127.14857	1.2
131.04955	1.4
133.07549	2.0
133.10132	3.5
135.11644	1.6
137.05983	15.5
137.09607	100.0
138.09955	4.2
143.08510	2.5
145.06474	2.7
145.10121	4.1
149.13269	1.4
153.05539	1.6
163.07558	1.9
165.09114	4.7
167.07027	1.8
170.10403	1.3
173.09615	5.2
179.07004	2.3
181.08597	3.1
183.11873	1.7
193.08545	2.2
193.15858	37.9
194.09348	2.6
194.16202	2.8
195.07965	2.0
205.12227	12.7
340.11133	1.4
375.24991	1.3
390.17542	3.5
391.19019	3.7
403.58521	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
55.05515	2.1
61.02924	1.9
69.07047	1.8
71.04997	2.4
77.84607	1.2
79.05494	2.0
81.07050	9.7
82.78625	1.2
85.02890	6.2
91.05470	3.6
93.07041	4.3
95.08605	15.1
97.02888	2.2
99.08083	6.6
102.42300	1.4
105.07019	9.1
107.08588	11.0
109.10203	1.9
119.08582	53.9
121.10114	2.1
123.11706	3.8
133.10129	88.5
134.10468	2.7
135.11693	20.6
137.06082	1.4
145.04956	1.5
147.11694	3.7
164.84785	1.2
175.14824	100.0
176.15193	4.2
193.15880	20.2
211.16934	35.3
212.17209	2.7
220.10526	1.6
259.09775	1.4
388.31085	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22855	2.4
55.05523	2.8
67.05494	4.8
69.03427	84.9
69.04311	10.9
69.04733	10.4
69.07057	4.8
75.35637	2.4
78.84303	2.2
79.05479	6.0
79.65082	2.5
81.07063	6.6
85.02850	3.3
85.06517	4.0
91.05471	5.4
92.05732	3.3
93.07015	3.1
95.04945	2.7
95.08604	4.2
97.06563	2.9
99.08089	38.5
99.77964	3.1
103.05435	3.5
105.07031	5.3
107.08625	4.2
109.06525	5.3
109.10171	10.9
111.08102	3.5
111.44575	2.7
112.19936	2.6
118.96783	2.6
119.08560	5.7
121.10094	4.0
123.08125	3.7
123.11712	5.7
133.10112	14.2
133.25464	2.4
135.11700	5.9
137.05975	3.6
151.03923	4.2
151.16870	2.6
169.32980	2.7
169.37395	2.3
175.14868	3.5
191.07019	3.7
193.15877	100.0
194.16238	5.6
211.16960	21.0
270.01907	2.3
279.87756	3.2
282.18967	2.6
357.83231	2.7
390.27130	3.1
391.18759	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00798	1.6
69.01484	14.4
69.03419	1.6
69.43213	1.4
70.06625	2.4
84.31440	1.7
85.02918	1.9
89.03923	10.7
89.90463	1.4
91.05493	5.3
93.04299	1.5
93.92245	1.4
95.04956	2.2
98.12094	1.5
107.04946	2.0
117.03370	32.3
119.04909	1.8
120.46492	1.5
121.06522	3.6
125.01598	2.1
133.06529	2.4
134.03659	5.3
135.04489	2.3
137.05978	32.7
137.07028	2.2
145.02844	71.2
146.03198	3.2
147.04422	2.8
149.02386	6.0
149.05963	18.0
151.03926	3.2
153.01051	1.8
153.05568	2.0
161.06021	5.2
163.03929	1.9
165.23816	1.5
171.02138	6.2
177.05466	93.8
178.05887	5.4
179.03165	3.5
191.07018	1.5
193.04991	3.0
197.04231	11.7
199.03659	59.4
200.04091	1.9
204.29425	1.5
213.09074	1.7
215.05266	54.1
217.04845	5.5
228.12408	2.4
229.04739	18.5
229.06639	1.9
229.12682	2.2
241.08719	1.7
252.45412	1.6
253.08786	2.3
273.11270	5.8
299.09290	2.0
329.10208	3.8
373.08929	17.7
373.12701	1.7
391.10074	100.0
391.14966	6.1
391.19577	25.6
392.10345	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1385
Annotation	Jamesoniellide L
Peak:m/z	Relative Intensity
55.01886	1.7
65.03940	5.9
66.22817	1.1
67.05510	2.7
68.03656	0.9
69.01624	10.7
69.03388	1.0
69.75814	1.0
81.07040	1.1
82.22141	1.1
85.02919	1.1
86.09731	1.1
91.05493	2.2
93.03400	4.4
95.04970	2.0
105.07018	1.4
105.34021	1.0
107.04963	2.7
108.02087	3.5
111.04409	4.7
123.04411	1.4
125.05994	6.7
131.04922	1.3
137.05997	12.4
141.05508	2.4
147.04468	1.3
149.02383	3.0
149.06009	2.4
151.03920	100.0
151.05035	12.4
151.07567	2.2
152.04262	3.7
153.05461	10.3
159.04416	1.1
161.05984	28.8
162.06392	2.0
163.07515	2.1
165.05498	3.1
175.07600	3.9
177.05447	2.0
179.07008	7.1
188.04749	1.8
191.07042	6.6
193.06468	1.5
203.07037	28.4
203.08910	1.5
204.07443	1.7
207.06487	1.7
209.08038	5.4
210.06697	2.1
213.11145	1.4
219.06554	1.5
221.06100	2.1
221.08058	10.8
224.08278	1.2
225.09090	4.5
229.08623	2.8
238.06332	1.1
241.08664	3.3
249.07515	7.8
253.08604	8.4
255.06546	1.3
267.10123	2.6
268.07336	3.3
271.09756	1.7
283.09650	9.4
285.11273	9.5
295.09708	4.2
297.11185	1.6
309.11307	2.7
313.10718	17.8
327.12250	16.5
328.12515	1.0
337.10706	1.5
343.11841	2.1
345.13208	1.8
355.11737	15.4
356.12418	1.2
357.59033	1.1
373.12781	6.5
374.13196	1.3
391.15033	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1572
Annotation	Chidamide
Peak:m/z	Relative Intensity
57.55321	0.4
70.33403	0.8
70.33742	0.5
73.89113	0.4
112.92799	0.4
133.44069	0.4
149.02296	0.6
153.25607	0.4
168.54356	0.4
196.71445	0.4
214.82126	0.4
229.06850	1.1
255.61046	0.4
259.11444	1.1
275.07391	0.8
277.71573	0.3
391.15692	100.0
392.16037	7.0
392.20627	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
66.26053	0.3
69.61179	1.8
72.79658	0.3
93.07063	0.3
98.23370	0.4
119.28267	0.3
137.06007	0.4
157.80470	0.3
176.07533	0.4
229.06711	0.4
259.11526	1.3
335.09366	0.4
358.49673	0.3
391.15628	100.0
392.15961	7.5
392.20477	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1751
Annotation	Flibanserin
Peak:m/z	Relative Intensity
53.03946	3.2
55.01872	5.8
55.05512	6.7
65.03945	10.7
66.80503	1.3
67.05507	43.6
69.03431	19.9
69.07072	3.1
71.05000	3.0
71.22841	1.3
79.05501	31.6
81.03419	2.6
81.07059	95.0
82.07392	2.6
83.04974	3.6
91.05482	52.5
93.07047	26.2
95.04971	72.8
95.08616	10.3
96.35126	1.6
97.02927	3.9
97.06511	8.3
98.23394	5.5
103.05481	6.5
105.03415	2.0
105.04480	1.5
105.07029	45.4
106.07374	2.1
107.04967	6.3
107.08607	14.8
107.36292	1.8
109.02869	2.7
109.06519	57.7
111.04485	3.9
111.08114	4.2
115.05460	12.0
116.06240	7.5
117.07024	28.3
119.04939	9.9
119.08576	20.9
121.05638	2.7
121.06517	38.2
121.10189	2.5
123.04454	5.9
123.08082	6.8
125.06009	6.9
128.06232	18.6
128.07109	2.3
129.07016	36.5
130.07848	2.7
131.04921	3.3
131.08577	37.5
132.05724	4.3
133.06500	41.0
133.10143	7.6
135.04451	2.7
135.08051	33.6
137.05978	74.6
138.06378	1.7
139.07550	3.3
141.05467	1.8
141.05833	2.1
141.06979	21.8
142.07794	17.2
143.08563	50.8
143.09656	2.8
144.05708	2.7
145.06483	28.7
145.10135	22.4
146.07318	7.3
147.04375	1.7
147.08043	23.3
147.11717	2.5
149.02357	8.2
149.05983	4.2
149.09680	3.7
151.07562	4.4
153.05530	7.5
153.07022	14.8
154.07779	9.2
155.08565	48.4
156.09369	7.6
157.06508	8.2
157.10117	24.2
158.07297	4.9
159.08064	100.0
159.11732	6.0
160.08649	6.3
161.06010	5.0
161.09639	19.9
161.10881	2.2
163.07550	10.8
163.11186	2.2
165.05661	2.6
165.06966	17.5
165.09187	2.0
166.07764	8.8
167.07167	3.1
167.08533	22.4
168.09369	14.0
169.06491	2.1
169.10138	38.4
170.07326	2.5
170.10863	4.7
171.08067	29.0
171.11661	19.6
172.08792	4.7
172.12093	1.7
173.06052	4.0
173.09647	27.2
174.10048	1.5
175.07587	9.5
175.11243	6.0
177.09114	3.6
178.07774	10.8
179.07062	7.6
179.08621	15.1
180.09363	15.2
181.06590	7.1
181.08621	3.7
181.10101	24.1
182.07397	1.5
182.10883	7.0
183.08060	16.0
183.11688	34.7
184.08862	3.0
185.09619	30.3
185.13205	8.0
186.10133	2.9
187.07625	5.8
187.11151	9.0
189.07082	1.6
189.09151	7.7
190.07835	1.9
191.07053	4.7
191.08612	7.0
191.10735	3.8
192.07822	1.7
192.09274	8.0
193.08643	2.8
193.10161	28.9
194.10939	2.6
195.08096	9.4
195.11708	26.9
196.08888	6.9
196.12248	1.7
197.09604	18.9
197.13338	10.9
198.10382	5.5
199.07622	7.2
199.11177	24.1
199.14922	3.6
200.11815	4.3
201.09177	8.7
201.12698	3.7
203.06921	2.1
203.08611	3.8
203.10701	6.0
205.08525	2.3
205.10219	4.4
206.10948	9.3
207.08113	4.0
207.10089	2.1
207.11754	13.0
208.08937	4.9
208.12192	2.1
209.09613	15.1
209.13234	11.6
210.10481	4.3
210.13776	1.8
211.11186	85.6
211.14880	7.5
212.08324	1.8
212.11789	6.1
213.09396	9.2
213.12743	59.7
214.13187	5.5
215.08769	2.8
215.10759	4.9
215.14491	3.4
216.09410	2.4
217.08524	3.0
217.10359	2.1
217.12157	2.0
218.10921	3.3
219.08127	3.5
219.10025	3.8
219.11777	5.8
220.12297	1.8
221.09720	6.9
221.13225	14.5
222.10429	6.0
223.11221	14.9
223.14906	5.3
224.11664	2.2
225.09158	4.6
225.12706	19.8
226.09914	2.8
226.13484	5.1
227.10754	11.7
227.14238	20.8
229.10199	1.6
229.12244	3.7
229.15962	2.1
230.04866	1.9
230.10974	2.8
231.09967	14.9
231.12167	2.1
232.12503	1.8
233.09708	3.7
233.11543	2.6
233.13589	3.0
234.10396	4.5
235.07674	1.8
235.11229	10.6
235.14934	4.1
236.12027	4.5
237.12794	16.9
238.13269	2.6
239.10641	11.4
239.14284	19.3
240.11461	2.1
241.12239	14.9
241.15862	4.0
243.13913	2.6
245.13396	3.2
246.10420	2.8
247.11198	4.7
247.14870	3.0
249.12755	13.3
251.10759	3.8
251.14409	5.3
253.12289	12.9
253.15950	3.8
254.13019	22.9
255.09946	2.4
255.13812	35.1
256.14288	3.2
257.11780	4.1
257.15405	17.7
259.11096	2.1
259.13211	2.8
260.12122	2.4
261.12839	5.2
262.09897	1.7
263.14291	11.4
264.14850	3.2
265.12335	6.6
267.13882	13.3
269.15442	6.5
270.14145	2.1
271.13443	1.9
273.12509	2.3
273.15079	2.7
274.13126	1.9
275.14362	3.4
277.12302	5.5
279.13937	3.7
281.11877	1.8
281.15451	6.3
283.13391	18.1
283.16727	2.5
285.14923	12.9
285.70587	2.1
287.16553	5.1
289.12192	2.7
291.13931	4.1
293.15488	1.9
295.13248	8.8
297.15012	8.2
299.16870	7.8
301.14359	63.9
302.14731	4.7
303.17056	1.5
309.14993	6.4
313.14215	21.0
314.14957	2.6
315.15994	6.8
317.14276	3.1
317.17752	3.0
327.16318	6.9
331.15366	52.4
332.15900	5.6
337.14523	2.2
343.15430	3.2
345.17825	9.7
347.20013	4.0
349.17862	3.7
355.15540	8.3
363.19482	3.7
373.18024	18.6
374.18219	2.3
391.19022	74.3
392.19470	10.3
401.36700	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1937
Annotation	Arg Glu Ser
Peak:m/z	Relative Intensity
69.03450	0.5
71.28143	0.8
84.08138	0.6
85.02925	0.6
107.04937	1.1
123.04381	0.6
133.06546	0.5
136.37206	0.4
137.05951	1.3
139.03918	1.2
149.02312	2.7
154.79504	0.4
167.07025	0.5
191.03439	0.7
229.06865	0.6
324.99796	0.4
391.08862	2.9
391.15628	16.1
391.19327	100.0
392.08487	0.6
392.19925	8.7
406.83444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01845	0.7
55.05500	1.6
57.07083	3.7
58.06603	1.2
67.05498	1.2
69.07073	4.1
69.37296	2.7
70.06597	10.8
71.06918	2.2
71.08633	1.1
72.08133	1.0
77.03888	0.5
78.04714	3.4
79.05495	7.7
81.07061	2.4
83.08608	1.4
84.08144	0.9
86.09679	1.7
88.07620	2.7
91.05487	4.3
93.07043	2.2
95.04961	2.5
95.08626	0.8
96.05801	0.6
97.06537	0.7
102.09191	1.0
102.53177	0.5
103.05458	2.8
105.03361	0.7
105.04462	0.8
105.07017	4.8
106.04184	2.8
107.04957	16.3
107.08609	0.8
108.92362	0.5
109.06528	1.4
110.03671	3.0
111.04411	0.7
115.05441	0.9
116.04406	0.5
117.07012	4.2
119.04978	0.6
119.08589	1.7
120.02068	0.5
121.06503	6.1
123.04441	14.5
124.05241	4.0
125.05991	1.8
129.06987	1.1
130.07793	3.4
131.04922	4.3
131.08577	1.3
132.10204	4.8
133.06450	0.7
133.10555	0.9
134.03636	2.2
135.04419	2.5
135.08052	5.0
136.05190	1.1
137.05981	11.2
138.03139	6.9
138.06741	0.7
139.03885	0.6
139.07576	2.8
140.04681	1.8
143.08514	0.8
144.05699	0.9
145.06487	4.7
145.10129	14.8
146.10561	0.9
146.11749	4.6
147.11990	1.6
148.05196	4.0
149.02359	2.2
149.06009	4.9
149.09549	0.6
151.03932	2.9
151.07556	4.8
152.04689	5.4
153.05467	57.3
154.06090	3.3
155.07019	1.0
155.08499	1.2
158.07280	2.4
159.08124	0.6
161.06026	1.6
162.06783	1.4
163.07556	13.2
163.11186	4.0
164.08221	1.6
166.06250	10.1
167.07043	100.0
168.07428	3.8
169.08601	1.0
172.08815	0.6
173.09608	13.8
174.10005	0.9
175.07504	1.3
175.11322	0.6
176.08353	2.9
177.09068	2.2
177.12776	6.3
180.07893	0.8
181.08601	29.0
182.08914	1.3
182.94858	0.5
189.09091	0.8
190.09859	1.7
191.10666	15.2
192.11095	1.2
195.10225	2.0
203.10779	0.6
205.12242	44.1
206.12663	3.1
207.11916	0.6
211.11307	0.6
219.13799	1.1
220.14555	3.8
221.11613	1.3
221.15205	0.9
223.11195	0.7
223.13257	12.6
224.13670	0.8
237.14845	27.4
238.15254	1.4
241.27228	1.1
251.16393	11.1
251.18771	0.7
269.11682	0.6
284.29437	1.6
285.29803	3.3
299.16391	0.8
313.18091	0.6
327.15817	1.7
328.32043	7.1
329.32419	17.1
359.18393	0.8
390.35745	13.6
391.20486	9.3
391.24985	4.6
391.36087	43.6
392.21240	1.0
392.36331	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.0
55.05505	2.1
55.95491	0.8
57.07076	2.6
59.04990	1.2
67.05506	2.6
68.74713	1.0
69.03402	0.9
69.07070	5.6
71.08655	1.1
71.30759	1.2
73.60578	0.8
79.05492	3.6
81.07048	3.0
82.21648	0.9
83.08623	1.3
89.06033	16.5
91.05505	2.7
93.07038	2.8
94.12321	0.9
95.04959	2.0
95.08594	3.5
103.05473	2.7
105.07037	2.7
107.04951	6.6
107.07097	0.9
107.08612	1.5
108.05757	1.0
109.10162	1.6
110.03667	5.7
119.08559	1.3
121.06519	4.4
121.10134	1.1
123.04439	10.7
123.11692	0.9
125.06009	1.8
126.33141	0.8
127.03937	2.2
131.04964	2.8
131.08585	1.1
133.08603	9.1
135.04437	3.0
135.08064	1.5
135.11679	0.9
136.05222	2.1
137.05974	2.9
138.03117	11.4
139.03970	1.2
140.04631	0.8
145.06464	1.9
145.10121	6.9
148.05174	4.6
149.02335	2.2
149.05988	6.3
151.07570	6.3
152.04686	1.0
153.05466	100.0
154.06216	5.1
158.07179	2.1
162.44221	0.9
163.07567	2.4
163.11166	5.5
164.08334	2.3
165.05453	1.1
166.06264	11.5
167.07068	10.5
168.07823	2.1
169.08652	1.2
173.09619	7.5
177.09064	1.1
178.09972	1.2
181.08595	47.2
182.08966	2.3
191.10655	28.0
192.10973	1.0
195.10332	1.9
195.12291	8.0
205.12224	5.9
209.11716	1.5
219.13783	1.8
220.14612	6.8
221.11757	2.0
223.13283	20.5
223.15346	1.7
233.66862	0.8
237.14767	1.5
237.95361	0.8
251.16409	18.3
251.18803	1.5
252.16739	1.7
375.15314	0.9
391.20590	8.8
392.19836	0.9
410.58865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
53.85887	0.6
55.01868	1.2
55.05504	2.5
56.02647	1.2
57.99473	0.7
59.04996	2.9
65.74390	0.6
68.02642	1.1
69.03442	1.6
69.07049	0.8
69.19893	4.9
71.04993	26.4
73.02921	3.8
73.06554	0.7
75.04482	14.1
79.05507	1.3
81.07047	1.7
83.04973	3.2
83.08640	0.8
85.02895	1.7
85.06551	1.1
88.05251	31.1
88.05796	1.7
88.82054	0.8
89.05559	0.9
89.06038	8.3
91.05498	1.9
93.06984	1.6
95.04972	1.5
95.08609	1.1
99.04456	19.4
99.08139	1.0
101.06015	1.8
103.07581	23.0
111.04449	3.0
113.06007	21.2
115.05477	0.7
119.08636	0.8
121.06451	1.1
123.08097	0.9
125.06007	1.1
128.06245	0.9
129.06995	1.0
131.07043	9.3
131.08562	0.9
133.10201	0.7
140.68907	0.7
141.07018	0.9
142.07814	0.7
143.08588	1.3
145.06526	0.8
145.10112	0.8
147.08003	0.9
149.02371	3.2
151.07552	1.2
155.08496	1.0
156.73872	0.8
157.06564	1.4
159.08044	1.6
161.05948	1.0
161.09610	0.9
165.06972	1.1
167.07050	4.9
169.06458	0.8
169.10095	0.7
173.09569	1.4
174.06705	0.9
175.07550	1.8
175.11208	0.8
176.70029	0.7
179.08551	1.1
181.06534	1.0
181.10139	0.9
183.08038	1.8
185.05975	2.6
185.09608	1.0
187.07483	0.9
189.09074	2.3
191.07063	2.0
194.07256	0.8
195.08000	1.4
196.08858	0.8
197.06010	5.8
197.09628	2.2
198.06686	2.6
199.07492	2.4
201.09117	1.3
202.09828	1.4
203.10580	1.9
205.08522	1.6
209.09656	1.2
210.06761	1.8
211.07552	3.2
211.11279	0.9
212.04735	0.8
212.08279	3.4
213.05447	7.8
213.09079	2.5
214.06107	1.3
215.06970	3.7
215.10744	1.4
216.07826	1.8
216.11382	1.0
217.12370	1.0
219.08154	0.9
219.10106	1.5
221.11725	2.4
222.06699	0.8
223.07666	0.8
223.11086	1.1
224.08203	0.8
225.05368	1.1
225.09129	1.9
226.06148	2.5
226.09825	1.5
227.07024	12.0
227.10669	0.9
228.07831	6.0
229.08563	3.5
231.10251	1.1
231.13777	1.3
236.08379	1.3
237.09105	1.7
239.07086	3.8
239.10876	1.0
240.07796	1.3
241.04962	2.9
241.08601	9.6
241.12245	1.2
242.05630	1.4
242.09271	2.4
243.06480	1.1
243.10161	3.2
243.13786	1.0
245.08084	3.2
245.11725	1.0
246.12564	3.3
250.09787	0.8
251.06943	1.1
251.10629	1.0
252.07889	0.9
252.11357	1.0
253.08551	3.3
254.09372	4.2
255.06439	1.7
255.10103	4.2
256.07306	7.6
256.10117	0.8
256.10947	0.8
257.08029	3.5
257.11703	2.1
259.10562	1.2
259.13269	10.8
260.14063	1.1
261.14816	6.8
262.09790	0.8
263.10675	2.4
265.08621	2.7
265.12283	1.7
266.09457	1.5
266.13046	1.1
267.07520	0.9
267.10175	4.9
267.13739	1.3
268.10867	1.0
269.08115	2.7
269.11697	3.3
270.09006	1.4
270.12064	0.8
271.09650	74.0
272.10092	6.5
273.07599	1.0
273.11221	3.7
273.14780	2.7
277.12619	1.0
278.12912	2.1
279.10132	2.1
279.13626	1.5
280.10837	2.2
281.11649	2.2
281.15161	1.2
282.08875	1.2
283.09628	2.4
283.13309	3.6
284.10428	1.7
284.14023	0.9
285.11264	3.4
285.14572	1.5
288.13553	2.5
294.12369	1.9
295.13354	4.9
296.13989	1.7
297.11218	5.5
297.14777	2.6
298.11996	1.9
299.12735	1.9
299.16257	1.8
303.12430	1.9
303.15857	20.2
304.16238	1.9
309.14890	8.9
310.15601	12.5
311.12814	9.2
311.16162	1.7
312.13251	1.9
315.15866	3.0
325.14404	1.8
326.15106	5.8
327.15887	3.3
327.19266	0.8
328.16101	1.1
331.18906	1.7
333.17120	0.7
341.17471	100.0
342.17834	8.9
359.18671	3.5
373.20093	23.8
374.20453	3.1
391.21259	4.2
391.26096	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2114
Annotation	Pregomisin
Peak:m/z	Relative Intensity
53.03946	1.4
55.01845	0.7
55.05500	1.6
57.07083	3.7
58.06603	1.2
67.05498	1.2
69.07073	4.1
69.37296	2.7
70.06597	10.8
71.06918	2.2
71.08633	1.1
72.08133	1.0
77.03888	0.5
78.04714	3.4
79.05495	7.7
81.07061	2.4
83.08608	1.4
84.08144	0.9
86.09679	1.7
88.07620	2.7
91.05487	4.3
93.07043	2.2
95.04961	2.5
95.08626	0.8
96.05801	0.6
97.06537	0.7
102.09191	1.0
102.53177	0.5
103.05458	2.8
105.03361	0.7
105.04462	0.8
105.07017	4.8
106.04184	2.8
107.04957	16.3
107.08609	0.8
108.92362	0.5
109.06528	1.4
110.03671	3.0
111.04411	0.7
115.05441	0.9
116.04406	0.5
117.07012	4.2
119.04978	0.6
119.08589	1.7
120.02068	0.5
121.06503	6.1
123.04441	14.5
124.05241	4.0
125.05991	1.8
129.06987	1.1
130.07793	3.4
131.04922	4.3
131.08577	1.3
132.10204	4.8
133.06450	0.7
133.10555	0.9
134.03636	2.2
135.04419	2.5
135.08052	5.0
136.05190	1.1
137.05981	11.2
138.03139	6.9
138.06741	0.7
139.03885	0.6
139.07576	2.8
140.04681	1.8
143.08514	0.8
144.05699	0.9
145.06487	4.7
145.10129	14.8
146.10561	0.9
146.11749	4.6
147.11990	1.6
148.05196	4.0
149.02359	2.2
149.06009	4.9
149.09549	0.6
151.03932	2.9
151.07556	4.8
152.04689	5.4
153.05467	57.3
154.06090	3.3
155.07019	1.0
155.08499	1.2
158.07280	2.4
159.08124	0.6
161.06026	1.6
162.06783	1.4
163.07556	13.2
163.11186	4.0
164.08221	1.6
166.06250	10.1
167.07043	100.0
168.07428	3.8
169.08601	1.0
172.08815	0.6
173.09608	13.8
174.10005	0.9
175.07504	1.3
175.11322	0.6
176.08353	2.9
177.09068	2.2
177.12776	6.3
180.07893	0.8
181.08601	29.0
182.08914	1.3
182.94858	0.5
189.09091	0.8
190.09859	1.7
191.10666	15.2
192.11095	1.2
195.10225	2.0
203.10779	0.6
205.12242	44.1
206.12663	3.1
207.11916	0.6
211.11307	0.6
219.13799	1.1
220.14555	3.8
221.11613	1.3
221.15205	0.9
223.11195	0.7
223.13257	12.6
224.13670	0.8
237.14845	27.4
238.15254	1.4
241.27228	1.1
251.16393	11.1
251.18771	0.7
269.11682	0.6
284.29437	1.6
285.29803	3.3
299.16391	0.8
313.18091	0.6
327.15817	1.7
328.32043	7.1
329.32419	17.1
359.18393	0.8
390.35745	13.6
391.20486	9.3
391.24985	4.6
391.36087	43.6
392.21240	1.0
392.36331	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01862	2.9
55.05517	7.2
57.07063	1.5
63.02350	1.0
63.97871	1.0
65.03915	1.2
67.05501	10.5
69.03409	2.0
69.07072	5.9
71.04999	1.5
79.05485	7.4
81.07053	10.0
83.04990	5.7
83.05389	1.1
83.08607	2.6
85.06507	1.0
91.05481	12.0
93.06574	1.3
93.07047	16.3
95.04939	4.0
95.08602	18.7
97.06551	6.2
103.05481	1.2
105.07041	16.1
107.08598	15.6
109.06488	4.7
109.10146	6.7
111.04430	2.6
111.08057	3.8
113.06011	1.4
115.05441	3.3
117.07020	7.8
119.08586	20.1
121.06496	20.0
121.10145	6.8
123.08075	6.3
125.09617	1.9
127.44390	1.1
128.06183	4.5
129.07004	7.6
130.07764	1.9
131.08563	7.4
133.06506	11.3
133.10121	6.8
134.20111	1.2
135.08063	15.4
135.11687	7.7
137.05920	1.7
137.09570	1.6
139.07495	1.9
141.07016	8.5
142.07774	14.1
143.08562	24.4
145.06485	15.7
145.10110	10.4
146.07225	1.3
147.08029	11.4
147.11665	7.5
149.02321	2.3
149.09572	3.7
151.07481	1.7
152.06088	1.4
153.06911	4.2
154.07668	1.2
155.08557	25.6
156.09377	6.2
157.10123	91.9
158.10460	5.2
159.08052	6.3
159.11632	3.5
160.08810	1.6
161.06000	5.5
161.09621	16.6
161.13226	2.3
163.07570	2.0
163.11169	15.0
165.05573	2.5
165.06963	6.8
166.07738	2.5
167.06995	4.0
167.08501	6.2
168.09258	3.5
169.06395	1.3
169.10135	24.6
170.10501	2.1
171.07977	4.8
171.10460	1.3
171.11708	17.5
172.12022	1.2
173.09637	12.5
173.13220	2.2
174.10280	1.6
175.11180	14.7
176.06032	1.1
177.12680	2.0
178.07793	2.3
179.08586	9.5
180.09264	4.6
181.10129	19.2
182.10780	4.7
183.08076	7.9
183.10210	1.6
183.11691	30.0
184.08794	1.5
184.12048	2.0
185.09621	15.7
185.13164	1.3
187.11090	3.7
189.09032	1.5
189.12802	10.7
191.08511	2.7
191.10716	1.3
192.09331	10.0
193.10143	17.0
194.10751	4.8
195.08081	8.4
195.11697	23.5
196.12282	1.7
197.09612	22.7
197.13272	9.1
198.10014	1.3
198.13530	1.3
199.11180	100.0
200.11536	7.4
201.12788	5.4
203.14146	1.2
205.10184	6.0
206.10870	8.0
207.11691	41.2
207.13594	1.7
208.08807	2.5
208.12256	6.5
209.07901	1.6
209.09619	17.5
209.13216	20.3
210.10051	2.1
210.13651	2.5
211.11177	25.0
212.11557	1.1
213.12785	5.6
215.10677	2.8
217.10023	3.1
217.12022	2.0
218.10802	3.2
219.11688	8.1
220.12433	7.5
221.09502	4.6
221.13210	14.8
222.13684	2.1
223.11174	80.3
223.14505	14.2
224.11601	7.0
225.12727	20.6
225.16301	1.8
226.13446	2.1
227.10553	1.8
227.14233	3.0
229.12137	1.9
231.11530	3.8
231.13739	1.7
232.12289	2.3
233.09615	1.4
233.13235	13.8
234.10255	2.0
234.13789	3.3
235.11272	9.8
235.14790	33.3
236.11670	3.3
236.15181	3.4
237.12740	15.6
237.16309	4.8
239.10582	1.2
239.14285	5.9
241.12227	12.3
243.13797	2.4
245.09531	1.9
245.13091	3.4
246.13820	2.0
247.11046	4.6
247.14749	5.9
248.11865	1.9
249.12729	17.5
249.16364	10.7
250.13243	1.9
250.16632	1.4
251.14316	48.1
251.17123	2.0
251.17815	2.6
252.14616	3.9
253.15840	12.3
257.13074	2.5
258.13876	1.4
259.14883	5.9
260.11920	1.6
261.12640	5.1
261.16190	3.8
262.13480	1.4
263.14127	12.8
263.17535	2.2
264.14584	1.6
265.15833	15.6
266.16364	1.2
267.13632	2.7
267.17261	1.7
269.15402	1.3
270.13919	1.4
271.14645	2.4
273.12534	1.5
273.16425	2.8
275.14169	7.0
275.17593	2.1
276.01718	1.2
276.14520	1.4
277.15863	47.6
278.16040	4.2
279.14145	1.9
279.17279	12.1
280.17804	1.6
281.18726	1.4
287.14160	2.2
287.17621	1.4
289.15695	5.1
289.19220	2.6
291.17349	8.4
292.18155	10.8
293.15335	2.0
293.18680	2.0
295.16855	6.9
299.14212	1.7
299.17615	1.5
301.15405	1.6
303.13647	2.8
303.17227	2.8
303.20880	4.5
305.15225	2.4
307.16861	1.7
313.19312	2.6
315.17154	3.0
317.15280	2.7
317.18823	5.1
321.18161	1.2
323.16199	1.3
329.18817	2.7
331.16901	2.0
331.20346	7.6
335.16187	1.5
345.18365	1.6
345.22018	12.6
347.19983	2.8
349.21521	1.6
355.20340	7.3
363.23184	2.2
373.21555	56.7
374.21960	7.6
376.19781	1.4
391.22342	43.8
391.26407	8.0
392.22736	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01862	2.9
55.05517	7.2
57.07063	1.5
63.02350	1.0
63.97871	1.0
65.03915	1.2
67.05501	10.5
69.03409	2.0
69.07072	5.9
71.04999	1.5
79.05485	7.4
81.07053	10.0
83.04990	5.7
83.05389	1.1
83.08607	2.6
85.06507	1.0
91.05481	12.0
93.06574	1.3
93.07047	16.3
95.04939	4.0
95.08602	18.7
97.06551	6.2
103.05481	1.2
105.07041	16.1
107.08598	15.6
109.06488	4.7
109.10146	6.7
111.04430	2.6
111.08057	3.8
113.06011	1.4
115.05441	3.3
117.07020	7.8
119.08586	20.1
121.06496	20.0
121.10145	6.8
123.08075	6.3
125.09617	1.9
127.44390	1.1
128.06183	4.5
129.07004	7.6
130.07764	1.9
131.08563	7.4
133.06506	11.3
133.10121	6.8
134.20111	1.2
135.08063	15.4
135.11687	7.7
137.05920	1.7
137.09570	1.6
139.07495	1.9
141.07016	8.5
142.07774	14.1
143.08562	24.4
145.06485	15.7
145.10110	10.4
146.07225	1.3
147.08029	11.4
147.11665	7.5
149.02321	2.3
149.09572	3.7
151.07481	1.7
152.06088	1.4
153.06911	4.2
154.07668	1.2
155.08557	25.6
156.09377	6.2
157.10123	91.9
158.10460	5.2
159.08052	6.3
159.11632	3.5
160.08810	1.6
161.06000	5.5
161.09621	16.6
161.13226	2.3
163.07570	2.0
163.11169	15.0
165.05573	2.5
165.06963	6.8
166.07738	2.5
167.06995	4.0
167.08501	6.2
168.09258	3.5
169.06395	1.3
169.10135	24.6
170.10501	2.1
171.07977	4.8
171.10460	1.3
171.11708	17.5
172.12022	1.2
173.09637	12.5
173.13220	2.2
174.10280	1.6
175.11180	14.7
176.06032	1.1
177.12680	2.0
178.07793	2.3
179.08586	9.5
180.09264	4.6
181.10129	19.2
182.10780	4.7
183.08076	7.9
183.10210	1.6
183.11691	30.0
184.08794	1.5
184.12048	2.0
185.09621	15.7
185.13164	1.3
187.11090	3.7
189.09032	1.5
189.12802	10.7
191.08511	2.7
191.10716	1.3
192.09331	10.0
193.10143	17.0
194.10751	4.8
195.08081	8.4
195.11697	23.5
196.12282	1.7
197.09612	22.7
197.13272	9.1
198.10014	1.3
198.13530	1.3
199.11180	100.0
200.11536	7.4
201.12788	5.4
203.14146	1.2
205.10184	6.0
206.10870	8.0
207.11691	41.2
207.13594	1.7
208.08807	2.5
208.12256	6.5
209.07901	1.6
209.09619	17.5
209.13216	20.3
210.10051	2.1
210.13651	2.5
211.11177	25.0
212.11557	1.1
213.12785	5.6
215.10677	2.8
217.10023	3.1
217.12022	2.0
218.10802	3.2
219.11688	8.1
220.12433	7.5
221.09502	4.6
221.13210	14.8
222.13684	2.1
223.11174	80.3
223.14505	14.2
224.11601	7.0
225.12727	20.6
225.16301	1.8
226.13446	2.1
227.10553	1.8
227.14233	3.0
229.12137	1.9
231.11530	3.8
231.13739	1.7
232.12289	2.3
233.09615	1.4
233.13235	13.8
234.10255	2.0
234.13789	3.3
235.11272	9.8
235.14790	33.3
236.11670	3.3
236.15181	3.4
237.12740	15.6
237.16309	4.8
239.10582	1.2
239.14285	5.9
241.12227	12.3
243.13797	2.4
245.09531	1.9
245.13091	3.4
246.13820	2.0
247.11046	4.6
247.14749	5.9
248.11865	1.9
249.12729	17.5
249.16364	10.7
250.13243	1.9
250.16632	1.4
251.14316	48.1
251.17123	2.0
251.17815	2.6
252.14616	3.9
253.15840	12.3
257.13074	2.5
258.13876	1.4
259.14883	5.9
260.11920	1.6
261.12640	5.1
261.16190	3.8
262.13480	1.4
263.14127	12.8
263.17535	2.2
264.14584	1.6
265.15833	15.6
266.16364	1.2
267.13632	2.7
267.17261	1.7
269.15402	1.3
270.13919	1.4
271.14645	2.4
273.12534	1.5
273.16425	2.8
275.14169	7.0
275.17593	2.1
276.01718	1.2
276.14520	1.4
277.15863	47.6
278.16040	4.2
279.14145	1.9
279.17279	12.1
280.17804	1.6
281.18726	1.4
287.14160	2.2
287.17621	1.4
289.15695	5.1
289.19220	2.6
291.17349	8.4
292.18155	10.8
293.15335	2.0
293.18680	2.0
295.16855	6.9
299.14212	1.7
299.17615	1.5
301.15405	1.6
303.13647	2.8
303.17227	2.8
303.20880	4.5
305.15225	2.4
307.16861	1.7
313.19312	2.6
315.17154	3.0
317.15280	2.7
317.18823	5.1
321.18161	1.2
323.16199	1.3
329.18817	2.7
331.16901	2.0
331.20346	7.6
335.16187	1.5
345.18365	1.6
345.22018	12.6
347.19983	2.8
349.21521	1.6
355.20340	7.3
363.23184	2.2
373.21555	56.7
374.21960	7.6
376.19781	1.4
391.22342	43.8
391.26407	8.0
392.22736	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2325
Annotation	Turpinionoside D
Peak:m/z	Relative Intensity
55.01883	3.6
55.05504	10.0
56.35212	3.6
57.07057	4.4
63.72743	3.7
67.05512	15.0
69.03419	3.5
69.07062	8.1
69.35635	20.1
69.36038	6.8
70.06582	3.8
71.04997	5.8
71.86321	3.1
73.02874	3.7
79.05499	15.3
81.07063	27.5
83.05003	4.9
83.08608	3.7
85.02884	6.0
85.06531	24.6
91.05484	13.7
93.07042	23.5
94.07312	3.5
95.04973	10.0
95.08602	39.5
97.02891	3.6
97.06525	5.1
99.04474	6.8
99.08094	9.2
103.05488	5.8
105.07033	23.9
107.04945	9.5
107.08601	39.5
109.10129	20.2
110.42089	3.9
111.04465	5.7
117.07044	4.5
119.08581	46.4
121.06516	4.7
121.10152	11.6
123.11747	7.7
125.06003	7.7
125.09612	8.2
129.06989	5.7
131.04916	9.1
131.08543	4.7
133.10120	34.7
135.08011	6.0
135.11711	29.4
137.05983	17.1
137.09674	8.3
147.04431	4.2
147.11674	6.6
148.05211	5.3
149.02373	8.6
149.05997	5.7
151.03928	24.2
153.05470	7.8
155.10657	100.0
155.11856	7.3
156.11009	8.6
161.05969	71.0
161.07207	6.6
161.09669	13.6
162.06566	3.0
163.07529	4.7
163.14838	27.7
165.05443	3.8
167.07065	15.5
171.02110	3.7
175.07497	3.6
175.14821	34.6
177.09029	3.8
181.08626	9.8
181.15942	5.3
182.55261	3.4
189.09100	40.9
193.15872	44.1
195.10202	9.1
199.16969	6.3
207.10153	32.2
211.16917	67.4
212.17255	6.2
213.11133	6.2
229.15956	4.7
229.17944	23.6
336.02686	3.6
341.10275	4.1
343.15546	3.9
391.18112	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.05515	9.5
55.55265	0.8
57.03436	1.0
57.07085	1.7
61.37070	0.9
65.03941	1.4
67.05507	21.9
69.03428	2.1
69.07069	7.4
71.05013	1.0
71.08676	0.8
74.59735	0.9
78.33025	0.8
79.05495	9.0
81.07056	16.6
83.04987	6.9
83.08636	2.2
85.06564	2.0
91.05479	14.0
93.07044	28.0
95.04970	5.8
95.08607	41.0
97.06545	4.1
97.10170	1.2
105.07034	19.6
107.08597	18.0
109.06536	3.7
109.10158	11.3
110.18290	0.9
111.04450	3.8
111.08087	15.6
113.06035	1.7
116.06245	1.2
117.07013	6.1
119.08585	14.2
121.06504	3.5
121.10123	7.7
123.08076	9.9
123.11722	2.6
125.06075	1.1
128.06245	2.4
129.07025	5.3
130.07817	5.6
131.08580	7.8
133.06526	1.2
133.10141	10.4
135.08070	2.3
135.11697	6.3
137.05949	1.3
137.09645	1.8
139.07530	6.7
141.07001	4.2
141.09117	3.1
142.07806	5.0
143.08554	11.4
144.09375	3.2
145.06532	1.4
145.10126	51.4
146.07323	1.3
146.10506	2.5
147.08096	6.0
147.11684	9.6
149.02324	3.0
153.06996	3.1
154.07837	1.3
155.08569	7.5
156.09349	10.0
157.10130	17.9
158.10825	1.2
159.08139	1.2
159.11699	16.2
160.08812	1.4
160.12154	0.9
161.09639	12.8
161.13248	5.4
163.11220	3.9
165.07004	5.3
166.07782	2.2
167.08554	14.2
168.09364	6.8
169.10118	14.5
169.11479	1.0
170.10889	7.2
171.11659	13.3
172.12024	1.1
173.09660	1.5
173.13252	5.5
175.11203	6.4
177.09196	1.1
178.07823	1.0
179.08560	11.0
179.10689	4.5
180.09334	6.6
181.10120	21.4
182.10916	18.3
183.08119	1.1
183.11696	26.7
184.12364	2.6
185.09668	1.8
185.13248	22.6
187.11215	2.4
187.14842	2.8
189.12717	7.6
191.08629	1.4
192.09424	3.1
193.10110	17.6
193.11989	1.2
194.10870	10.8
195.11696	29.0
196.12434	13.5
197.09601	2.9
197.13252	74.1
198.13652	5.2
199.14816	10.7
203.08641	0.9
203.14392	1.0
205.10173	3.0
205.11987	1.1
206.10886	5.6
207.11754	19.5
207.13896	4.0
208.12451	11.9
209.13254	57.7
210.13780	5.6
211.14813	48.0
212.15266	2.8
213.12859	1.4
213.16399	6.4
218.10939	1.3
219.11755	5.3
219.13712	1.1
220.12427	8.4
221.13245	18.5
221.15323	1.5
222.14018	13.1
223.11319	2.5
223.14812	38.2
224.15219	5.3
225.16350	7.9
228.81580	1.3
231.11662	1.2
232.12494	1.6
233.13275	6.3
233.15298	1.1
234.13992	6.6
235.11240	1.4
235.14819	22.8
236.15536	14.6
237.12726	2.0
237.16353	20.6
238.16814	1.6
239.18004	2.0
241.12224	1.4
245.13179	1.8
246.14188	1.4
247.14824	4.2
248.15639	3.2
249.12753	1.1
249.16351	11.9
250.17099	10.7
251.14056	2.5
251.17947	97.6
252.18378	10.6
253.16211	1.2
253.16927	1.4
253.19583	7.9
259.14804	1.2
260.15628	1.8
261.16452	3.0
263.15024	1.5
263.17819	9.2
264.18643	2.3
265.19601	3.2
267.17514	1.2
275.15305	0.9
275.18060	4.1
277.16013	3.7
277.19589	9.9
279.21127	4.7
289.19623	2.9
291.21078	7.9
292.21826	14.1
293.22552	2.4
295.20514	1.5
303.17795	1.2
303.21063	2.1
315.21237	1.2
317.19376	1.6
317.22751	3.1
318.22845	1.0
345.22192	1.9
345.25952	6.8
346.26041	1.4
355.24173	1.0
373.21466	1.6
373.25458	7.9
374.25903	1.5
391.22623	7.3
391.26443	100.0
391.36453	3.5
392.22757	1.0
392.26840	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51460	0.5
53.03946	6.4
55.01605	0.5
55.01873	13.7
55.05513	21.7
57.03436	5.4
57.07078	14.4
61.29011	0.5
67.05516	3.7
68.10015	0.6
69.03426	0.7
69.07069	36.6
69.20541	3.6
69.20959	0.8
70.07393	0.9
71.08636	10.7
79.05494	0.9
81.03419	14.4
81.07056	4.9
83.04975	0.7
83.08619	24.8
84.08942	0.6
85.10194	5.5
91.05474	0.8
93.07037	3.0
95.04980	1.2
95.08612	5.1
97.02876	0.8
97.09550	0.7
97.10168	13.9
98.23367	1.1
99.04450	1.9
99.11730	1.0
105.07035	1.4
107.08601	1.4
109.02879	47.2
109.06521	0.9
109.10152	7.2
110.03225	1.3
111.11724	6.4
113.06011	0.9
115.03924	8.9
119.08607	0.6
121.06467	0.8
121.10130	0.7
123.04433	3.1
123.08069	1.8
123.11715	2.6
125.09578	0.8
125.13290	2.9
127.03915	100.0
128.04271	2.6
131.08498	0.7
137.13261	0.8
139.07571	0.8
139.14850	1.4
141.05458	6.2
145.04939	0.8
149.09641	2.1
151.11172	1.3
151.14848	1.0
152.73735	0.6
155.07019	3.4
165.12726	0.5
169.08597	6.1
177.09137	1.5
183.10178	16.2
183.11739	1.1
195.10156	5.5
197.11742	5.9
209.11697	4.0
211.13237	3.4
223.13257	2.2
225.14857	4.1
237.14850	2.4
239.16374	4.7
251.16393	3.2
253.17969	6.7
265.17947	4.7
266.87909	0.6
267.19601	2.3
279.19540	2.4
281.21036	1.6
293.21097	1.4
295.22784	1.5
307.22714	1.2
309.24161	1.5
321.24295	1.0
335.25797	1.5
391.18768	0.6
391.32126	8.8
392.32379	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46442	0.4
69.03401	0.4
70.06576	0.9
70.60027	0.5
70.60364	0.4
74.89471	0.3
79.05450	0.3
82.02682	1.5
85.02875	0.6
89.88411	0.3
91.05478	0.4
97.02789	0.3
107.04947	0.4
111.33733	0.4
116.32575	0.3
123.04581	0.3
137.05952	1.4
151.03868	0.6
161.05884	0.4
163.07535	0.5
180.96074	0.3
185.04041	0.5
185.45456	0.3
195.10182	1.8
230.07866	100.0
231.08195	5.9
375.11572	0.4
392.13104	31.0
393.13458	3.1
396.45200	0.4
409.20514	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16704	4.3
55.01864	8.1
57.03414	5.6
57.07022	4.4
67.05530	5.6
69.03430	7.3
69.59489	4.3
71.29788	7.6
71.56134	4.7
77.32838	5.3
79.05495	6.2
81.03423	5.3
81.07047	11.1
85.02900	16.0
88.04004	6.7
91.05514	10.7
93.03379	4.5
93.07046	23.8
95.04940	5.8
95.08607	7.7
96.61623	4.3
97.02897	5.9
98.08825	4.4
99.04449	7.8
104.71524	4.5
107.04949	8.0
107.08601	17.9
109.06519	11.6
109.79142	4.5
119.01635	7.5
119.08608	5.8
121.10138	14.0
131.08577	9.7
133.10257	4.6
135.07997	5.5
135.11674	7.0
137.05986	14.0
139.11163	5.1
149.09622	46.3
151.03897	18.4
151.60768	4.5
152.04153	5.8
154.06253	41.2
167.10745	6.8
177.09142	17.6
177.16431	6.0
181.04950	69.7
185.11742	5.6
191.08180	6.4
195.10182	20.9
208.06392	7.7
211.11354	6.2
213.07603	100.0
213.11182	90.2
214.08002	4.9
214.11539	8.5
216.08891	10.5
240.08826	6.8
300.10974	6.0
315.22729	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16704	4.3
55.01864	8.1
57.03414	5.6
57.07022	4.4
67.05530	5.6
69.03430	7.3
69.59489	4.3
71.29788	7.6
71.56134	4.7
77.32838	5.3
79.05495	6.2
81.03423	5.3
81.07047	11.1
85.02900	16.0
88.04004	6.7
91.05514	10.7
93.03379	4.5
93.07046	23.8
95.04940	5.8
95.08607	7.7
96.61623	4.3
97.02897	5.9
98.08825	4.4
99.04449	7.8
104.71524	4.5
107.04949	8.0
107.08601	17.9
109.06519	11.6
109.79142	4.5
119.01635	7.5
119.08608	5.8
121.10138	14.0
131.08577	9.7
133.10257	4.6
135.07997	5.5
135.11674	7.0
137.05986	14.0
139.11163	5.1
149.09622	46.3
151.03897	18.4
151.60768	4.5
152.04153	5.8
154.06253	41.2
167.10745	6.8
177.09142	17.6
177.16431	6.0
181.04950	69.7
185.11742	5.6
191.08180	6.4
195.10182	20.9
208.06392	7.7
211.11354	6.2
213.07603	100.0
213.11182	90.2
214.08002	4.9
214.11539	8.5
216.08891	10.5
240.08826	6.8
300.10974	6.0
315.22729	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19124	0.9
53.03954	1.5
55.01854	1.3
55.05497	1.6
57.03431	1.1
61.02914	1.6
67.05508	1.7
69.03426	4.0
71.04965	0.9
71.29155	1.1
79.05505	4.5
81.03417	1.4
81.07053	2.1
81.78328	0.9
85.02904	11.0
85.06554	1.5
91.05486	3.4
93.07030	3.1
94.07368	1.3
95.04961	2.2
95.08620	4.8
96.08945	1.6
97.02888	2.5
99.04443	1.4
103.05476	4.2
105.07059	4.7
106.07422	1.1
107.04955	41.6
107.08596	4.6
108.05247	1.3
108.08947	2.5
109.10145	1.6
110.10503	0.9
115.05453	1.9
119.08579	3.5
120.05746	1.3
120.08928	1.6
121.10189	1.4
123.04443	3.0
124.05194	2.1
127.03944	2.3
131.04971	1.1
133.10159	1.6
134.10429	1.1
135.08054	13.4
137.05951	2.1
137.09554	1.3
145.04967	2.2
145.07658	1.5
149.05965	3.9
151.03871	5.1
151.04967	1.4
154.06247	1.9
155.10663	7.4
156.11006	5.7
163.07547	37.2
163.14885	1.4
164.07889	1.4
164.15163	3.4
167.07040	99.7
168.07356	4.3
175.14853	1.2
176.15149	3.6
177.05504	2.6
177.16301	1.0
180.07802	1.8
181.06505	1.6
181.08615	2.1
193.15884	1.5
194.16270	3.7
195.06526	1.4
195.10168	34.7
199.16956	1.2
211.16910	2.5
212.17307	4.8
213.11215	100.0
214.11603	6.2
225.07529	1.5
229.18060	1.5
230.18297	1.6
273.11017	1.3
298.17542	1.0
301.11172	1.1
375.11719	1.4
392.20001	5.8
393.20856	11.5
411.12653	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62404	2.4
69.03439	6.8
70.06591	3.6
71.29822	4.0
79.05508	5.1
81.07081	2.9
83.18759	2.2
84.53520	2.7
85.02900	13.0
90.08671	2.9
91.05493	6.1
95.23603	2.6
96.65488	2.6
97.02908	2.8
103.05505	5.2
105.07041	5.9
107.04964	50.4
107.08646	4.2
115.05470	3.0
117.07036	4.0
118.09039	2.5
118.30259	2.3
119.08578	2.8
123.04493	3.2
127.03953	2.5
133.06483	4.9
135.08067	16.1
137.05981	9.3
138.06418	5.1
145.04961	3.0
147.04404	5.4
149.06018	6.2
151.03934	4.1
163.07552	38.4
167.07050	100.0
168.07498	5.9
177.05443	3.3
191.90855	2.8
195.06641	3.1
195.10168	32.5
197.50981	2.3
213.11232	89.7
214.11636	6.3
280.82703	2.3
290.57889	2.8
331.38376	2.7
392.19012	17.7
392.73148	2.6
393.24741	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12048	8.1
55.05504	18.6
57.03411	10.2
58.47165	5.4
66.53149	5.3
67.05506	31.2
69.03419	16.6
69.07059	19.2
71.04966	9.2
71.29145	10.8
73.02905	6.9
75.04477	26.8
79.05492	13.3
80.73192	5.6
81.07060	40.9
83.04988	27.5
83.08563	5.5
84.04494	6.4
85.02903	10.3
91.05453	14.4
93.07036	35.4
95.04961	8.6
95.08599	58.8
99.04450	15.7
105.07007	21.0
107.08599	32.6
109.06514	9.1
109.10160	46.1
111.08085	8.8
117.07008	6.4
119.08585	29.0
121.10125	19.8
123.08108	8.8
123.11691	12.7
124.62238	5.7
125.06010	9.7
131.04674	6.3
131.08559	13.1
133.10124	31.4
134.10475	7.2
135.08032	21.4
135.11707	20.1
137.05981	19.0
137.09616	100.0
138.09070	8.5
149.02432	7.7
149.09604	7.9
151.03847	9.0
151.11169	7.1
155.10649	10.4
159.11774	9.1
163.07506	11.2
165.16306	10.7
167.08873	5.7
170.67657	6.9
175.14801	41.0
175.56075	5.9
177.09109	20.1
180.22786	6.4
183.68355	6.0
193.15909	92.8
195.10147	8.6
195.13857	12.2
211.16963	10.4
213.11104	9.7
224.82825	6.8
231.10129	7.6
247.05923	8.5
336.51660	5.4
336.56485	5.5
351.21146	6.1
361.72922	5.3
393.23441	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92887	0.7
67.05502	1.2
69.03431	2.4
69.20076	6.9
71.04992	83.4
72.05328	1.3
73.02921	1.0
79.05476	1.1
81.07059	2.9
85.02905	10.6
91.05521	1.2
95.04982	1.4
97.02870	1.7
105.07034	1.3
109.02837	0.9
109.06514	1.7
109.10141	1.1
113.09657	1.0
117.06993	1.2
123.11716	5.1
127.03936	1.6
127.11198	0.9
134.06842	1.2
137.05873	0.9
139.11179	1.8
145.04977	1.3
145.06438	1.3
156.09131	1.0
159.08044	1.9
160.08481	1.1
195.17445	100.0
196.17770	6.4
211.11124	1.2
212.11551	2.0
213.18510	15.3
214.13069	2.0
228.14558	1.0
284.13666	1.0
302.14688	1.7
345.56116	1.1
392.19257	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
67.45764	5.5
69.00674	11.3
69.01077	38.8
85.02926	5.6
98.55934	5.7
101.00945	7.3
119.01991	6.0
120.65769	5.6
143.01901	8.4
145.03497	6.6
163.03981	11.2
203.04152	8.5
214.76456	5.7
221.05042	7.9
245.05119	8.0
250.97293	19.8
333.10773	6.4
393.07971	100.0
393.12225	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
70.81316	45.5
75.52312	26.1
79.58800	29.5
95.15951	25.5
100.37241	30.1
105.04372	32.6
154.69405	30.7
176.92595	29.0
237.69254	28.5
313.01895	33.5
393.06329	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54109	0.3
53.03942	2.5
55.05512	80.8
56.05845	1.0
61.99928	0.3
63.24360	0.3
69.22456	2.6
83.04982	100.0
84.05301	2.2
93.18871	0.3
110.47443	0.3
142.08176	0.3
169.06590	0.4
184.05190	0.7
197.05971	0.5
209.06009	1.6
212.04633	1.8
223.03969	0.4
225.05455	2.1
237.05502	0.8
240.04176	3.7
247.07910	0.3
249.05556	0.3
253.05008	1.6
253.08482	0.9
265.04932	2.4
267.02908	0.4
268.03690	9.9
269.04004	0.9
281.04312	1.1
281.07559	0.5
283.06006	7.7
293.04446	7.1
294.05170	2.1
296.03171	2.2
297.03583	0.4
311.05511	16.8
311.08960	1.5
312.05917	1.1
393.09460	10.0
394.09756	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
56.90282	0.6
62.10459	0.3
68.05009	1.4
69.03394	0.4
69.07069	0.5
70.06591	0.4
71.29894	0.7
73.02903	1.2
79.05463	0.4
81.07034	0.8
83.85641	0.3
85.02911	0.8
91.05465	0.6
93.07007	0.5
95.08569	0.4
97.02888	0.3
98.97588	0.4
105.07020	0.4
107.08582	0.4
110.03611	0.4
119.04893	0.4
121.10130	0.5
124.05096	0.6
125.05964	1.4
130.05002	0.9
137.05965	1.3
140.03412	1.0
147.04474	0.7
149.04552	0.8
151.03920	3.9
151.05075	0.6
161.08011	0.3
164.58978	0.4
166.07175	0.5
172.06097	0.9
177.16325	0.4
179.06996	0.9
182.34517	0.3
189.06413	0.6
195.17436	0.4
197.08046	1.6
201.06435	1.5
202.07237	2.1
203.08012	1.8
204.08810	6.3
214.07103	0.3
215.08003	2.0
216.08810	100.0
217.09305	5.9
218.10353	4.3
223.77769	0.4
225.06458	10.5
226.07260	3.5
227.07886	1.4
228.08754	1.2
229.09528	0.9
230.10364	10.1
231.10498	0.7
232.08168	0.4
240.08800	52.4
241.09381	4.2
242.10414	0.6
246.09862	6.7
247.10184	0.4
258.09845	2.1
268.08301	4.2
272.11453	4.2
283.09348	1.0
300.10916	45.1
301.11121	3.2
311.08887	0.8
315.12000	0.9
333.13162	2.5
343.11578	2.1
361.12604	5.0
375.14090	3.8
377.13831	0.3
393.15140	22.5
394.15384	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
55.01867	1.0
55.05511	10.1
57.03435	5.6
57.07078	34.9
67.05190	1.4
67.05505	19.7
69.03409	1.6
69.07073	9.9
69.18059	8.5
69.18388	1.6
71.08234	1.8
71.08628	27.7
79.05502	5.5
81.07063	21.1
83.04975	5.5
83.08617	11.7
85.06544	1.4
85.10180	16.2
91.05465	8.3
93.07044	15.3
95.04977	6.4
95.08605	41.2
96.00581	1.0
97.06528	2.6
97.10179	6.1
98.23002	3.9
98.98465	61.8
99.11716	1.6
105.07032	11.3
105.67870	1.0
107.08600	9.3
108.15195	1.1
109.06513	3.0
109.10149	13.7
111.04412	2.8
111.08078	6.4
111.11684	1.0
113.06102	0.9
115.05484	1.3
116.99493	1.8
117.07001	2.9
119.07909	1.0
119.08588	11.9
121.06473	2.7
121.10152	5.3
123.08048	4.2
123.11709	7.5
125.09600	1.7
125.13251	2.0
125.77317	1.0
128.06239	2.0
129.07007	5.9
131.08575	6.2
133.10139	7.5
135.08037	1.9
135.11716	4.6
137.13225	2.4
139.07510	3.0
139.14771	1.3
141.06970	2.5
142.07773	2.7
143.08548	9.1
144.09245	1.0
145.06451	1.7
145.10127	8.8
147.08052	3.3
147.11702	6.3
149.09592	1.8
153.07024	1.6
154.07678	1.3
155.01036	100.0
155.08545	6.6
156.09222	2.9
157.10132	12.3
158.10400	0.9
159.11694	8.3
161.09648	5.7
161.13222	2.1
163.11195	3.1
167.08525	3.1
169.10129	10.2
170.10854	1.3
171.11644	8.5
173.09612	2.1
173.13226	2.0
175.11172	5.8
175.14772	1.9
178.07790	1.2
179.08540	4.2
180.09297	1.9
181.10097	10.4
182.10893	1.8
183.08043	1.4
183.11659	8.8
185.09622	3.8
185.13226	4.1
187.11179	3.4
189.12738	3.2
193.10136	7.1
194.10905	3.7
195.11702	8.8
196.12303	2.0
197.09616	5.6
197.13286	5.5
199.11157	14.2
199.14780	3.4
201.12683	4.2
205.10106	1.2
206.10898	1.4
207.11658	8.5
208.12361	1.7
209.09769	1.7
209.13268	10.7
210.13818	1.4
211.11127	3.9
211.14807	3.5
212.11885	1.0
213.12717	3.3
213.16197	1.3
217.10281	1.7
217.12196	2.4
219.11679	3.8
220.12410	3.0
221.13287	5.9
221.22740	1.7
222.13841	1.3
223.11124	2.3
223.14679	5.7
225.12709	3.9
225.16325	1.4
227.14261	3.8
231.11613	1.4
233.13193	2.6
234.13983	1.9
235.14841	10.6
236.15306	2.4
237.12703	2.4
237.16312	5.4
238.17073	1.9
239.14275	5.7
239.17932	1.3
239.23656	7.9
241.15750	1.3
247.14699	1.9
248.15453	1.2
249.16365	3.1
251.14253	5.6
251.17984	2.0
253.15810	8.2
253.19530	1.4
259.14749	1.7
261.16376	4.9
263.14218	1.5
263.17905	2.0
265.15781	2.8
267.17447	1.3
275.17819	1.3
276.18835	1.5
279.17444	9.4
281.18799	3.1
281.22232	1.2
293.18900	1.6
294.19638	4.3
294.23141	2.1
297.18576	1.6
319.20459	2.0
329.22476	1.4
331.20535	1.2
333.21893	1.5
347.23682	2.3
357.22095	7.4
375.23105	22.6
376.23553	2.7
393.24051	41.1
393.27719	3.6
394.24420	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.9
55.05515	31.3
57.03428	3.5
67.05496	8.8
69.03425	6.9
69.07063	7.3
70.32914	2.3
70.33237	5.1
71.04999	4.4
79.05489	8.2
79.67417	2.0
81.07053	22.1
83.04984	34.4
83.08620	6.0
85.02888	4.2
91.05482	21.7
93.07043	24.2
95.04981	3.1
95.08605	27.5
97.02910	13.7
97.06534	2.4
99.04480	11.6
105.07031	29.2
107.08583	13.1
109.06525	8.4
109.10158	6.6
111.04449	4.9
111.08082	13.0
113.02367	9.7
115.03916	3.4
115.05432	4.8
117.07032	15.7
119.08591	16.7
121.06522	4.5
121.10130	10.2
123.08076	9.3
125.73331	2.1
127.03915	5.7
128.06223	9.3
129.06981	14.3
131.08568	33.5
133.06444	2.0
133.10139	100.0
134.10471	3.6
135.11711	7.5
135.52310	2.3
137.05998	9.8
139.07553	4.8
141.07004	15.0
142.07771	10.8
143.08572	26.7
143.65245	2.3
145.10153	12.3
147.08028	3.9
147.11693	15.1
153.05714	2.6
153.06975	9.0
154.07768	3.5
155.08556	40.8
156.09317	4.5
157.10146	21.2
159.11655	10.9
161.09627	9.3
161.13242	6.3
163.11322	2.2
165.06969	12.6
166.07732	6.7
167.08572	20.9
168.09227	4.9
169.10159	37.2
170.10837	5.6
171.11713	18.4
173.13271	43.9
175.11179	7.3
178.07803	6.8
179.08553	12.0
180.09364	13.9
181.10101	34.6
182.10872	8.2
183.11700	38.0
184.12483	7.1
185.13261	35.8
187.14873	2.5
192.09320	8.9
193.10143	22.3
194.10904	10.9
195.11700	80.1
196.12370	8.5
197.09637	4.6
197.13261	55.7
198.13669	4.2
199.11078	2.8
199.14830	47.9
200.15144	3.1
202.44328	2.4
203.19847	2.7
205.10150	6.6
206.10927	9.5
207.10123	4.5
207.11708	21.3
208.12416	6.5
209.09517	2.2
209.13271	19.4
210.13708	2.4
211.14809	39.0
213.12790	3.7
213.16417	2.6
218.10973	2.5
219.11700	7.5
220.12511	7.4
221.13281	20.6
222.14003	5.3
223.14839	35.4
224.15572	5.2
225.12791	2.6
225.16382	23.5
229.10193	3.3
231.11745	4.1
233.13258	7.5
234.14021	3.7
235.14798	23.9
235.68520	2.4
236.15501	5.5
237.12790	4.0
237.16371	55.3
238.17017	13.3
239.14345	4.8
239.17941	34.1
243.11649	2.7
245.13211	4.7
247.14856	4.5
248.15694	3.3
249.12518	2.8
249.16420	7.3
250.17059	5.3
251.18051	11.6
252.18636	3.3
253.09996	2.5
253.15886	4.2
253.19530	4.1
254.16669	6.0
255.11629	3.0
255.17409	4.1
257.13168	3.8
261.16431	3.2
263.17944	16.5
265.19537	57.3
266.19928	7.0
267.11435	3.6
267.21085	49.5
267.23813	4.0
268.03445	2.7
268.12366	3.4
268.21509	9.2
271.14948	3.3
276.18723	3.7
277.19357	10.7
278.20273	7.7
279.20953	10.1
280.12433	2.6
281.12906	2.5
282.13974	6.7
283.14764	2.3
287.17834	6.2
294.99615	2.2
295.20593	21.5
297.16510	11.6
311.05487	4.0
315.17307	4.5
320.15170	2.9
329.22470	3.6
333.18436	5.7
335.17673	4.4
345.16492	5.0
348.14859	2.8
350.20203	2.9
357.22131	5.2
363.17493	10.7
365.22455	2.6
375.23438	13.9
378.19650	9.8
379.19348	2.5
393.23849	65.2
394.24951	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	13.8
56.34542	10.9
63.76155	11.3
67.05490	21.4
67.25217	11.0
69.03436	29.6
69.07073	27.7
69.49940	45.2
69.50350	28.8
79.05491	27.8
81.07081	23.2
83.04992	21.2
83.08586	13.9
85.02919	36.8
91.05463	24.9
93.07030	17.2
95.04986	16.9
95.08630	20.0
98.23262	14.9
105.07040	34.8
107.04971	58.0
107.08606	37.1
109.06511	17.2
109.10164	29.6
117.07023	14.5
121.10178	51.0
125.06035	26.4
125.09652	15.6
131.08569	14.2
133.10126	15.3
135.11711	18.9
138.13322	12.2
145.10162	12.1
151.11174	14.8
167.06917	13.4
177.09123	48.7
177.16420	56.5
193.08701	27.9
195.17575	45.8
197.11888	15.3
203.91595	11.0
231.10222	100.0
231.13776	20.1
252.68648	14.8
393.14743	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	12.0
57.03439	14.5
63.90541	11.5
67.05499	15.3
69.03427	19.8
69.05058	41.8
69.05476	73.6
69.07077	13.7
71.04991	18.7
73.02898	27.2
79.05486	17.7
81.03416	14.9
81.07050	47.3
83.08612	23.2
85.02902	15.2
85.06537	34.2
91.05473	16.2
93.07059	43.5
95.08595	65.9
105.07039	20.5
106.19588	11.2
107.08585	39.5
109.10170	34.8
110.03700	10.1
121.10135	45.1
123.11678	15.3
125.06037	36.3
137.05948	19.7
149.09618	13.4
151.03915	100.0
177.16397	86.2
179.07027	19.4
183.17505	12.5
195.17461	50.9
197.08171	54.0
231.19498	17.2
255.66908	11.2
259.08252	26.6
347.57306	12.1
365.13901	12.6
393.14450	56.0
393.40909	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	12.0
57.03433	3.6
57.07098	3.5
61.02335	2.5
65.03949	2.4
66.26126	2.5
67.05511	11.3
69.03432	5.5
69.07079	21.1
71.05002	4.6
71.29259	4.1
79.05500	12.0
80.53465	3.0
81.03448	2.7
81.07058	44.0
83.08624	12.4
85.02907	23.1
85.03386	3.4
85.06587	7.2
91.05492	8.2
93.07072	21.8
95.04977	2.9
95.08614	42.9
97.02901	5.8
97.10136	3.9
99.04459	2.9
99.08086	3.0
101.14699	3.0
105.07040	7.9
107.08603	36.5
109.10147	24.8
113.09655	3.8
116.42317	2.4
119.08588	3.5
121.10166	51.7
123.11711	74.5
124.12048	4.8
125.13234	6.1
127.03896	5.3
133.10138	4.0
135.11702	20.2
137.06038	7.2
137.09642	4.0
137.13245	15.8
149.06003	5.1
149.13263	6.0
151.03926	12.1
159.11708	3.2
177.05565	3.1
177.16386	100.0
178.16711	5.4
189.19820	2.9
195.17435	30.8
197.11737	7.0
213.18501	7.5
216.08745	20.3
225.06277	3.6
240.08807	10.7
300.10837	12.4
393.15128	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2482
Annotation	Sedumoside A3
Peak:m/z	Relative Intensity
55.05509	12.0
57.03433	3.6
57.07098	3.5
61.02335	2.5
65.03949	2.4
66.26126	2.5
67.05511	11.3
69.03432	5.5
69.07079	21.1
71.05002	4.6
71.29259	4.1
79.05500	12.0
80.53465	3.0
81.03448	2.7
81.07058	44.0
83.08624	12.4
85.02907	23.1
85.03386	3.4
85.06587	7.2
91.05492	8.2
93.07072	21.8
95.04977	2.9
95.08614	42.9
97.02901	5.8
97.10136	3.9
99.04459	2.9
99.08086	3.0
101.14699	3.0
105.07040	7.9
107.08603	36.5
109.10147	24.8
113.09655	3.8
116.42317	2.4
119.08588	3.5
121.10166	51.7
123.11711	74.5
124.12048	4.8
125.13234	6.1
127.03896	5.3
133.10138	4.0
135.11702	20.2
137.06038	7.2
137.09642	4.0
137.13245	15.8
149.06003	5.1
149.13263	6.0
151.03926	12.1
159.11708	3.2
177.05565	3.1
177.16386	100.0
178.16711	5.4
189.19820	2.9
195.17435	30.8
197.11737	7.0
213.18501	7.5
216.08745	20.3
225.06277	3.6
240.08807	10.7
300.10837	12.4
393.15128	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92361	0.4
57.07082	2.3
58.07397	0.4
62.54769	0.5
69.72409	1.6
93.81916	0.4
105.07032	0.5
125.66640	0.4
194.02486	0.4
234.18546	0.7
308.19492	0.5
309.20120	1.2
375.24777	1.6
393.26089	100.0
394.26395	10.0
396.41660	0.4
399.27731	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.2
55.05505	30.3
55.53690	3.0
57.07075	20.5
67.05501	39.2
69.07077	21.1
70.55904	10.0
71.08616	8.1
79.05487	32.1
81.07063	66.0
83.04971	11.6
83.08615	14.5
83.90025	3.9
85.06542	4.8
91.05489	54.1
93.07040	100.0
95.04967	53.8
95.08606	76.1
97.06528	12.8
98.98466	12.3
100.26727	3.9
103.05466	4.6
105.07030	92.8
107.04979	3.8
107.08595	58.4
109.06499	16.0
109.10165	34.3
111.08086	5.5
115.05457	6.3
116.06219	4.9
117.06983	19.3
119.07780	6.4
119.08581	92.5
121.06521	17.7
121.10145	40.4
123.08032	9.1
123.11706	10.4
128.06197	12.7
129.06960	12.8
130.07793	7.7
131.08569	43.7
133.10126	57.2
135.08075	8.4
135.11658	23.9
137.13271	4.6
141.06987	9.0
142.07779	23.5
143.08568	38.9
144.09315	7.8
145.06474	3.9
145.10123	66.9
145.97079	3.9
147.08084	6.7
147.11707	29.7
149.09694	3.8
153.06958	4.2
154.07784	5.7
155.01082	19.7
155.08554	18.1
156.09352	17.1
157.10126	56.4
158.10947	5.7
159.08067	7.2
159.11700	45.5
160.12154	4.1
161.09605	15.2
161.13206	6.8
163.11203	5.5
165.07109	4.5
167.08565	9.7
168.09328	9.1
169.10109	33.4
170.10854	8.8
171.11696	35.3
172.12241	4.3
173.09575	4.5
173.13263	25.4
175.11172	14.4
175.14799	17.2
179.08549	8.9
181.10120	14.6
182.10960	3.9
183.11678	31.5
184.12369	4.0
185.13290	20.3
187.11188	12.6
187.14813	15.8
193.10181	7.6
194.10841	8.9
195.11674	21.7
197.13275	25.6
198.01939	3.9
198.13837	3.9
199.11116	6.0
199.14862	24.2
201.16348	10.2
206.10951	5.6
207.11722	8.8
208.12503	6.9
209.13290	17.8
210.13936	8.9
211.14882	17.3
213.12802	4.5
213.16353	19.8
221.13271	8.8
223.14731	24.0
224.15324	5.2
225.16356	15.3
235.14796	8.1
237.16379	12.3
249.16353	10.0
251.17897	6.2
252.18504	4.7
253.15849	8.7
253.19534	23.6
265.19266	5.5
279.17288	4.7
284.00836	3.4
316.25433	3.7
319.20734	4.1
375.22812	6.2
375.26846	9.9
393.24335	8.8
393.28146	57.6
394.28067	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	0.6
51.76074	0.6
55.05510	6.1
57.03441	0.6
57.07076	2.0
67.05505	12.0
69.03426	1.0
69.07072	5.4
69.26122	4.1
79.05495	5.5
81.07059	11.7
83.04989	7.6
83.08616	1.6
85.06551	1.0
91.05482	9.1
93.07045	14.3
95.04961	2.0
95.08608	22.6
96.08920	0.7
97.06531	1.3
97.10180	0.9
103.05433	0.5
105.07035	16.0
107.08595	10.8
109.06499	2.0
109.10164	9.6
110.10459	1.1
111.04425	2.9
111.08076	3.3
113.06017	1.5
115.05480	1.7
117.07008	4.4
119.08584	12.4
120.66278	0.5
121.06507	1.4
121.10140	6.4
123.08067	2.4
123.11710	4.3
125.05978	0.8
125.09669	0.6
128.06195	4.4
129.07004	8.3
131.08569	15.0
132.08958	0.6
133.10132	8.8
135.08086	1.3
135.11681	3.6
135.12552	0.5
136.86836	0.5
137.09560	0.6
138.17728	0.6
139.07536	2.3
141.06961	6.0
141.09125	2.0
142.07793	4.9
143.08557	21.2
144.09227	1.0
145.10139	16.3
146.10564	1.0
147.08102	1.5
147.11671	6.7
148.48093	0.6
149.09666	0.6
153.06937	1.2
154.07822	1.9
155.08559	18.1
156.09369	6.1
157.10132	21.4
158.10606	1.2
159.08018	0.6
159.11688	13.1
160.12103	0.7
161.09630	3.3
161.13252	4.2
163.11249	1.0
165.06969	0.7
167.08545	4.1
168.09335	3.0
169.10126	22.2
170.10921	2.7
171.11694	13.6
172.12318	1.0
173.13254	7.9
175.11208	1.4
175.14842	1.3
179.08595	1.3
179.10689	1.2
180.09290	1.0
181.10141	4.9
182.10913	5.8
183.11685	16.7
184.12329	2.9
185.13277	9.4
187.11215	1.3
187.14836	5.1
189.12793	1.8
192.09297	0.7
193.10164	2.1
194.10872	1.1
195.11719	6.4
196.12431	2.4
197.13260	33.7
197.76854	0.6
198.13759	3.0
199.14824	16.3
200.15355	0.9
201.16345	1.4
205.12279	0.8
206.10777	0.7
207.11740	2.2
207.13776	0.9
208.12453	0.9
209.13217	5.6
209.14700	0.6
210.13960	3.8
211.14821	12.8
212.15489	1.6
213.16373	6.2
215.17989	3.9
219.11792	0.8
221.13264	1.3
222.14017	0.8
223.14830	3.5
225.16376	10.5
226.16844	1.1
227.18045	1.7
233.13297	1.5
235.14877	1.4
237.16359	4.0
238.16969	1.3
239.17979	6.6
249.16377	1.1
251.18025	3.8
252.18712	2.2
253.19514	44.3
254.19998	5.1
255.21008	3.7
263.17963	1.1
265.19562	1.8
267.21060	1.2
279.13849	0.8
279.17972	0.6
279.21124	2.5
281.22717	1.7
283.17020	0.9
293.15189	0.7
293.22723	1.6
294.16101	0.7
294.23361	5.2
295.24030	1.9
297.18439	1.1
323.19852	0.8
337.21692	1.3
347.20166	1.5
347.27271	0.7
365.24869	0.9
375.26773	1.7
393.27887	100.0
394.28281	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.315
Annotation	Ergosta-4,6,8(14),22-tetraen-3-one
Peak:m/z	Relative Intensity
50.00914	4.7
50.53106	5.2
55.05509	9.2
57.07077	14.1
57.39183	4.9
67.05500	9.1
69.07073	48.2
70.71769	5.0
74.42612	5.2
75.74240	5.5
81.07054	7.5
83.08610	11.7
89.06002	6.4
95.08611	12.0
97.06529	6.7
98.23294	13.0
151.24965	5.7
171.11606	7.7
195.11981	5.6
209.13139	7.2
241.15903	5.5
253.15855	9.6
267.17432	6.9
268.18277	58.6
269.18555	11.0
272.79623	5.0
349.07544	5.8
393.31488	100.0
394.31985	21.8
398.58118	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.7
55.01876	11.8
55.05515	3.5
55.87234	0.7
57.03449	5.4
57.07079	19.7
66.59653	0.9
67.05494	1.2
69.07069	6.0
69.19329	7.5
71.08633	18.0
81.03427	12.6
81.07085	2.7
83.08624	4.2
85.10175	12.0
89.06026	1.0
95.04957	1.2
95.08611	1.7
97.10169	2.3
98.23418	1.2
99.04485	1.8
99.11733	1.9
109.02879	27.5
113.13342	1.0
115.03928	8.4
123.04446	2.5
123.08109	1.0
127.03921	100.0
128.04225	2.1
130.15927	1.2
141.05486	3.3
145.04909	1.2
155.07056	2.1
169.08615	5.8
171.13799	0.9
183.10161	10.1
195.12378	1.5
197.11710	8.1
201.72691	0.8
211.13312	7.6
225.14879	6.1
239.16417	8.6
253.17964	8.9
259.10568	0.9
267.19531	8.3
281.21082	8.9
295.22672	5.8
309.24313	4.8
323.25854	5.7
337.27432	4.4
376.25803	1.7
393.28711	1.8
393.33636	17.6
393.39191	7.9
394.34079	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91808	0.2
55.05511	1.5
67.05503	0.3
69.07061	0.2
69.34606	1.2
71.58553	0.2
72.08158	0.6
81.07054	0.4
83.04966	0.3
89.03907	0.9
90.04669	0.2
91.05490	0.4
93.07048	0.5
95.04964	0.2
95.08614	0.9
96.41121	0.2
98.23322	0.4
99.00018	0.3
103.05464	1.0
105.07010	0.5
107.08601	0.5
109.10209	0.4
117.07033	0.3
118.04153	0.5
119.08536	0.4
121.06483	0.2
125.01543	100.0
126.01879	2.6
129.06987	0.3
139.03093	5.5
143.08540	0.3
145.10126	0.3
146.22316	0.2
153.06966	0.5
155.08553	1.4
159.11774	0.3
165.07050	0.6
167.06230	43.2
168.06747	1.5
169.10086	0.4
171.11717	0.3
181.10040	0.2
182.07280	0.2
183.08052	15.4
184.08392	0.8
195.11681	0.3
196.12202	0.2
197.09543	0.6
198.10030	0.4
209.13252	0.3
211.07541	2.9
211.14824	0.3
212.15009	0.3
216.14742	0.2
228.10190	6.4
229.10486	0.4
230.02763	0.2
235.14777	0.2
236.15315	0.2
242.15958	0.2
245.95374	0.2
246.82657	0.2
280.17776	0.2
281.18979	0.2
358.22430	0.3
376.23395	0.4
377.24951	0.2
394.15732	1.3
394.24374	0.5
394.28586	0.4
395.25793	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
54.03487	0.6
55.01876	1.7
55.05516	2.0
56.05038	0.5
57.03436	3.9
57.07060	0.6
61.02926	6.8
63.90594	0.4
63.95978	0.4
69.03428	13.5
69.07069	1.0
69.78697	1.6
70.02964	1.2
71.04976	1.0
72.04510	1.7
72.08185	0.5
73.02923	3.2
73.06559	2.2
79.05480	0.6
81.03419	4.0
81.07056	0.8
82.02939	3.6
82.06570	0.5
83.03722	0.6
83.04978	1.0
84.04499	0.7
84.08101	0.6
85.02903	27.1
87.04468	2.8
91.03943	2.7
91.05473	1.6
95.04977	0.6
96.04516	1.3
97.02889	11.8
99.04450	1.7
100.04010	1.0
105.07021	0.8
109.02886	1.9
109.06517	1.5
111.04476	0.5
112.03996	0.6
112.07614	0.9
114.05538	1.1
115.03897	3.0
115.64600	0.5
118.08675	1.4
124.07592	77.2
125.07957	1.8
127.03915	3.6
132.06577	1.3
133.04980	1.4
134.05814	0.4
137.06026	2.5
142.05002	0.7
142.08635	32.5
143.08975	1.0
145.04982	2.8
151.07520	2.9
153.64680	0.5
154.08691	0.8
155.07045	9.5
166.08653	4.9
179.07011	1.3
184.09717	2.2
196.09673	4.5
197.08058	4.2
200.09189	0.7
214.10716	4.8
215.09149	9.1
215.11137	0.9
232.11798	100.0
233.12115	5.1
239.02126	0.5
269.49515	0.6
280.37198	0.6
304.14069	0.6
310.18396	0.5
359.12479	0.9
377.13364	0.6
394.17059	12.8
395.13916	1.5
406.47833	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49578	6.6
63.48090	6.9
71.11568	11.4
85.02908	27.8
91.05501	21.4
95.04942	7.9
98.97611	10.7
99.81342	8.1
107.04984	8.1
119.01936	11.0
119.04939	39.2
123.04431	63.3
135.04454	11.0
137.05981	94.4
145.03525	8.8
147.04404	90.1
151.07564	9.7
161.02989	12.7
163.03906	14.3
166.07207	14.5
179.07053	70.4
197.08078	100.0
237.02777	9.3
270.06848	12.0
298.02222	7.8
315.35666	7.6
335.09647	8.9
394.06653	15.2
395.09338	20.2
395.13934	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62362	0.3
51.48752	0.4
53.03938	1.2
54.03476	0.4
55.01867	1.5
55.05515	1.2
56.96561	0.6
57.03432	3.8
61.02926	6.5
68.05036	0.5
69.03428	11.1
69.41693	2.3
70.02959	1.0
71.01360	0.4
71.04996	1.0
72.04512	1.8
73.02906	2.0
73.06541	1.9
81.03416	3.9
82.02937	3.8
82.06560	0.5
83.03726	0.8
83.04958	0.6
84.04491	0.4
85.02905	28.2
86.03207	0.6
87.04453	2.4
90.21245	0.4
91.03968	2.9
91.05461	0.6
96.04480	2.2
97.02889	11.3
99.04462	1.3
100.03954	0.8
100.07638	0.4
105.01822	0.5
109.02893	2.2
109.05226	0.5
109.06529	0.9
112.07607	0.8
114.05527	1.0
115.03929	3.0
118.08620	0.7
119.04914	0.5
123.08153	0.5
124.07590	78.3
125.07915	2.0
127.03917	4.1
132.06575	1.4
133.04958	1.2
137.05940	1.2
142.08633	34.5
143.08969	1.3
145.04953	2.8
151.07547	1.3
155.07014	4.2
162.84558	0.4
166.08623	5.3
179.07039	0.7
184.09674	1.7
196.09729	5.3
197.08093	1.9
214.10745	5.4
215.09172	4.3
232.11795	100.0
233.12125	5.4
237.96365	0.5
247.04266	0.8
283.69232	0.5
304.13873	1.0
349.17389	0.4
394.17004	13.0
394.21823	0.8
395.17441	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.9
56.96550	2.5
66.02657	1.5
69.06351	4.2
69.06761	10.9
84.04511	16.5
84.08141	100.0
85.02912	5.1
85.08474	2.1
86.09700	5.5
91.05503	4.8
97.02878	1.5
102.09212	4.4
107.04942	3.4
119.04917	8.8
123.04471	2.3
125.19349	1.6
137.05983	9.4
141.13899	3.2
147.04379	17.4
149.05980	2.4
156.73799	1.5
167.07019	4.7
169.13420	5.6
179.07047	18.4
181.13908	1.7
188.10652	2.4
197.08080	3.7
216.10326	4.5
233.12778	1.8
257.11533	2.0
261.16406	3.6
302.17126	8.8
330.20212	26.6
394.14990	2.1
394.19897	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59148	0.4
52.80381	0.4
59.55500	0.4
66.04693	0.4
69.03412	0.7
71.37420	0.4
81.07059	0.5
91.05456	1.0
94.04202	1.6
105.07059	0.6
113.11185	0.5
115.03955	0.5
119.04926	0.5
122.03654	4.0
131.04918	0.8
137.05978	100.0
138.06329	3.5
145.10120	0.4
163.07553	1.8
163.34761	0.4
165.01828	0.4
181.08621	3.1
187.82158	0.4
195.29398	0.4
221.33508	0.4
233.15324	0.6
322.00012	0.5
365.09793	0.4
369.72702	0.4
395.24084	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	12.4
57.07065	3.2
58.47306	3.4
64.05075	3.3
67.05508	27.1
69.05914	35.6
69.07072	10.9
72.64751	3.1
72.93694	3.1
79.05518	5.2
81.07056	55.0
85.02898	5.9
89.85964	3.9
91.05500	6.7
93.07064	9.5
95.08613	39.5
96.38129	3.9
96.53987	3.5
96.69505	3.9
97.10207	4.1
105.07046	12.5
107.08603	4.3
109.02933	3.5
109.10196	5.6
112.82900	3.0
119.08622	8.4
135.11693	14.9
137.05975	3.7
137.13268	90.2
145.47562	3.9
161.13297	12.3
173.13155	3.4
179.14290	21.5
197.15384	10.4
203.05202	3.9
215.16440	100.0
216.16791	7.1
264.96982	3.7
279.51566	4.0
392.20782	3.5
394.22614	5.4
395.20288	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11220	5.3
50.14039	5.1
52.05539	5.3
72.87253	5.6
85.02916	9.6
88.93353	6.3
91.05475	7.5
107.08575	6.7
123.04444	8.3
135.08052	11.6
147.04430	7.7
152.04201	6.0
167.33562	6.2
174.49188	6.7
189.58818	6.0
216.08826	8.6
323.25983	5.8
395.11057	100.0
395.16205	10.8
396.11578	13.0
409.06506	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1126
Annotation	Chinensinaphthol methyl ether
Peak:m/z	Relative Intensity
54.61442	0.6
55.02287	0.6
55.05508	8.2
58.32506	0.7
67.06921	0.7
69.35590	3.8
69.35989	1.5
73.40224	0.7
75.04484	1.9
79.05510	0.7
79.67383	0.7
83.04974	10.3
84.05397	0.8
95.32346	0.6
101.05997	0.7
116.36023	0.7
125.05968	1.4
139.07469	0.8
141.05475	0.9
152.06142	1.0
153.05443	5.3
156.02031	0.8
165.07050	2.7
167.07048	2.4
167.08513	1.3
175.03935	2.4
176.06316	0.7
177.05638	0.8
177.07076	1.4
178.07787	2.8
179.08569	1.5
181.06575	1.1
182.07239	0.8
183.08098	0.9
184.01517	1.2
186.03146	3.1
188.01024	1.1
189.06958	5.1
190.07751	2.7
191.08565	2.6
193.06490	1.9
193.10011	0.7
195.08072	2.3
197.02348	1.1
197.05991	0.9
198.03088	6.7
199.03813	1.0
202.02663	1.1
202.07869	1.2
203.08603	1.3
205.06473	3.3
206.07291	3.5
207.04399	0.7
207.08069	3.0
209.05995	1.5
211.04001	1.2
211.07590	0.9
212.04485	0.9
213.05513	2.2
214.02658	4.1
217.06516	2.5
218.02161	2.0
218.07176	2.3
219.08026	4.8
220.05173	1.2
220.08865	2.4
221.05896	3.4
221.09628	1.4
222.06711	1.9
223.03827	1.0
223.07614	3.4
224.04678	1.9
224.08170	0.9
225.05559	1.9
226.02675	4.0
226.06303	1.8
227.03317	1.8
227.06953	1.8
231.08046	1.9
233.05986	3.1
234.06720	6.0
235.07536	7.3
236.04602	1.9
236.08231	2.0
237.05460	2.3
237.09052	1.8
238.06258	1.8
239.03452	1.7
239.07025	1.8
240.04053	1.4
241.04863	1.1
245.06079	3.7
246.06741	1.4
247.07428	4.3
248.04642	1.0
248.08379	4.2
249.05502	7.0
249.09106	7.6
250.06142	3.9
250.09744	1.3
251.03409	1.9
251.07011	7.7
251.10728	0.9
252.04204	3.0
252.07883	1.5
253.05055	1.7
253.08676	1.9
254.02139	3.3
254.05565	0.8
255.02910	2.7
259.07550	1.1
261.05502	4.0
261.08975	1.1
262.06158	6.2
263.03357	1.2
263.07013	15.9
264.04263	1.9
264.07724	6.2
265.04959	5.1
265.08466	3.3
266.05667	2.9
266.09235	1.5
267.02921	4.8
267.06406	3.2
267.09839	1.2
268.03622	2.4
269.04440	69.9
270.04852	6.2
273.05542	2.1
274.06268	2.0
275.06985	8.5
276.04321	1.5
276.07788	4.9
277.05038	7.4
277.08609	14.3
278.05756	7.9
278.09235	3.5
279.06522	12.5
279.10074	2.1
280.03671	4.4
280.07190	3.1
281.04456	5.3
281.08078	3.6
281.11612	1.4
282.01581	4.0
282.05130	2.0
283.02802	1.5
283.06033	4.7
286.06250	1.0
287.07016	1.6
288.03943	1.1
288.07706	1.0
289.04984	3.5
289.08347	1.5
290.05731	5.9
291.06503	16.8
291.09839	1.3
292.03717	1.8
292.07178	13.2
293.04483	2.4
293.08054	11.9
294.05154	4.6
294.08798	4.3
295.02628	1.7
295.06015	11.3
295.09250	1.5
296.03094	1.5
296.06561	2.7
297.03979	21.4
297.07227	0.9
298.04507	3.6
302.05756	2.8
303.03256	0.5
303.06525	14.0
304.03934	1.1
304.07181	6.8
305.04468	4.4
305.08093	17.4
306.05206	3.6
306.08829	6.5
307.02499	1.1
307.05966	8.6
307.09668	8.7
308.03348	0.9
308.06760	3.0
308.10388	1.7
309.04114	2.0
309.07526	6.4
309.11234	5.9
310.04596	2.0
310.08328	2.5
311.05511	3.8
311.08817	1.3
312.06256	39.5
313.06876	7.8
315.06461	1.5
316.07220	1.9
317.04639	0.9
317.08084	2.7
318.05301	2.8
318.08710	1.2
319.06036	13.9
319.09515	1.6
320.03229	1.2
320.06802	19.4
320.10431	2.6
321.03897	2.5
321.07498	23.1
321.11023	1.3
322.04703	2.4
322.08298	6.2
323.05487	4.2
323.09128	3.0
324.06259	2.7
324.09952	2.0
325.07007	3.9
330.04944	1.4
331.05963	5.3
332.03131	0.9
332.06613	3.5
333.03961	1.3
333.07486	10.3
334.04611	5.2
334.08359	13.5
335.05450	4.5
335.09097	30.6
336.06091	4.0
336.09879	13.8
337.07028	10.6
337.10712	14.5
338.04340	1.3
338.07803	2.4
338.11221	1.3
339.04578	0.9
339.08624	14.4
339.12253	2.9
340.09201	1.2
344.06738	2.4
345.07571	2.5
347.05499	5.1
347.09225	1.8
348.06168	5.0
349.07059	17.3
349.10715	1.6
350.07736	7.0
351.04691	1.8
351.08609	14.6
351.12268	1.0
352.09378	7.6
353.06522	7.0
353.10309	4.3
361.07144	1.8
362.07751	3.8
363.08618	18.9
364.09387	24.0
365.06393	2.8
365.10242	19.7
366.06860	1.2
366.10806	1.7
367.11761	33.0
368.12067	3.4
377.10156	20.6
378.10614	3.0
380.08905	7.3
395.11255	100.0
396.11542	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.0
67.05486	1.9
68.49147	2.2
68.78825	1.9
69.03393	2.4
75.04491	4.6
85.06510	2.6
103.83551	2.2
115.03918	3.4
152.06175	4.7
159.11659	2.2
165.07031	9.7
169.06548	3.0
176.06238	6.1
177.06966	6.2
178.07791	16.1
179.08481	7.9
181.06409	3.0
189.06993	24.9
190.07745	12.3
191.08609	11.0
191.54657	2.2
192.05659	2.4
193.06531	8.4
193.10143	3.0
195.08055	4.1
196.05196	4.2
197.05939	2.8
199.03966	4.4
202.07764	2.9
203.08479	3.7
204.05693	3.4
205.06554	13.3
206.07292	12.2
206.08929	2.1
207.04480	4.6
207.07961	9.9
208.08792	2.5
209.05971	4.5
210.06778	3.2
211.03967	5.0
213.05478	9.3
217.06482	9.4
218.07275	9.6
219.08043	14.4
220.05305	5.7
220.08649	4.3
221.06068	11.8
221.09613	6.2
222.06641	4.2
223.03906	14.8
223.07509	4.6
224.04607	4.6
225.05421	5.7
226.06190	3.0
227.03429	3.8
227.06853	2.8
232.05223	3.7
233.05974	9.8
234.06749	20.5
235.07547	19.0
236.04756	8.0
236.08139	6.8
237.05353	12.8
237.09174	2.3
238.06146	6.1
239.03484	13.8
239.06993	4.2
240.03966	3.7
241.04997	4.7
245.05928	9.7
246.06654	5.2
247.07532	13.1
248.08356	3.2
249.05482	29.5
249.08943	10.1
250.06181	12.1
251.03470	8.4
251.07043	14.2
252.04195	9.3
253.04907	5.2
254.05762	5.2
255.06467	2.8
260.04828	2.7
261.05484	10.2
262.06281	22.8
263.04129	3.3
263.07053	40.6
264.04242	9.1
264.07736	17.9
265.05124	15.6
265.08127	11.2
266.05753	12.7
267.02878	43.2
267.06418	5.2
268.03320	3.4
269.07999	2.7
273.05447	8.9
274.06271	4.9
275.03851	3.0
275.07016	27.0
276.04550	4.1
276.07764	23.6
277.04999	20.2
277.08585	41.7
278.05676	17.3
278.08844	4.9
279.03287	3.9
279.06494	34.1
279.09805	4.8
280.03610	5.6
280.07111	5.8
281.04459	11.4
281.08026	5.9
282.05234	20.8
283.05740	2.9
288.04245	3.7
289.04974	14.7
290.05701	19.4
291.03470	3.9
291.06503	29.5
291.09799	2.2
292.03995	2.7
292.07245	37.2
293.04712	4.8
293.08017	37.2
294.05182	14.4
294.08771	6.5
295.02551	4.8
295.05948	9.8
296.06796	6.1
297.07611	7.1
302.05792	5.3
303.06497	30.1
304.04138	2.3
304.07138	13.7
305.04462	10.3
305.08078	38.8
306.05121	9.9
306.08768	9.1
307.05936	18.7
307.09662	37.7
308.06848	3.7
308.10291	7.8
309.07507	5.4
309.10867	2.3
310.04730	49.1
310.07999	3.1
311.05420	4.4
311.09137	12.2
317.08139	2.9
318.05283	17.2
319.05957	15.4
319.09253	3.4
320.06815	29.1
321.04031	3.8
321.07544	46.6
322.08014	12.0
323.05557	5.2
323.09103	3.6
325.07086	100.0
326.07437	6.2
331.06027	8.9
332.06821	5.8
333.04126	2.7
333.07556	42.4
334.08276	5.4
335.05472	4.1
335.09061	46.5
336.09860	19.6
337.06973	9.9
337.10767	8.8
338.07675	3.4
339.08405	2.8
345.07440	4.2
348.06348	12.5
349.07028	5.2
349.10867	2.8
350.07864	4.7
351.08508	3.1
352.09344	10.1
363.08606	31.2
364.09207	8.2
365.06311	3.8
365.10165	6.6
367.11798	17.7
377.09912	3.3
380.08871	9.3
395.11255	54.1
396.11542	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1126
Annotation	Chinensinaphthol methyl ether
Peak:m/z	Relative Intensity
55.01859	1.6
55.05496	1.7
57.03437	1.4
59.04974	1.8
61.50842	1.0
65.03903	1.1
67.05486	4.5
69.07047	1.6
69.12214	1.5
69.12622	8.7
71.88223	1.1
73.37656	1.3
75.04459	1.7
78.81483	1.1
79.05487	3.0
81.07040	5.3
83.04977	3.0
84.58273	1.0
87.04450	2.2
89.03915	2.4
91.05476	5.3
93.07030	4.7
95.08569	4.4
98.22665	3.4
98.23344	2.9
99.04449	7.8
105.07041	7.5
106.04175	1.7
107.08603	3.6
109.10135	2.3
111.08130	1.6
115.03922	2.9
115.05475	2.5
116.78242	1.2
117.03387	1.5
117.07025	2.6
119.08569	4.4
121.10147	3.3
123.08043	2.0
125.05927	1.5
127.03905	2.9
129.07002	2.9
131.08554	4.4
133.10086	4.1
141.05476	1.4
142.07745	1.8
143.08522	3.5
145.06479	1.3
145.10138	6.0
147.04399	2.6
147.08073	1.7
147.11699	1.5
149.05925	1.9
151.03972	2.2
152.06129	1.7
153.05470	1.3
155.08521	2.8
157.06454	1.7
157.10081	5.2
159.08054	6.1
159.11711	6.6
161.09622	2.2
165.07018	3.6
168.05699	1.5
169.06480	1.9
169.10048	3.3
171.11644	3.0
173.09636	2.9
173.13344	1.9
175.03912	10.5
177.05484	21.2
177.06978	2.3
178.07761	5.0
179.08562	4.1
181.10149	1.7
185.09663	1.5
185.13223	2.3
189.01822	4.9
189.06972	5.7
189.12688	1.4
190.07756	3.1
191.08580	1.5
192.07764	6.2
193.06438	2.2
194.07201	1.4
195.08043	2.9
195.11711	2.5
197.06047	2.0
199.03865	2.6
202.07764	1.6
203.03418	12.2
203.14314	1.5
205.06473	4.4
205.08563	2.9
206.07260	2.4
207.07941	3.7
208.08727	1.5
209.05972	2.0
213.05359	6.0
215.03299	1.4
215.14377	1.3
217.06558	4.1
217.08501	1.4
218.07280	2.4
219.07980	4.4
220.05203	2.5
220.08473	1.9
221.05945	3.9
222.06827	1.6
223.07507	3.3
224.04660	2.5
226.06226	1.4
227.03391	1.5
227.07077	1.5
229.05101	1.4
233.05959	4.1
233.09744	1.6
234.06732	7.1
235.07489	8.9
236.04799	2.5
236.08298	2.8
237.05476	3.1
237.16379	2.6
239.06989	3.1
239.18065	1.5
245.05904	5.1
247.07480	3.5
248.08273	3.4
249.05501	10.7
249.09053	3.4
250.06279	4.2
251.06990	6.7
252.04234	1.9
253.04950	2.7
253.08571	2.4
255.06427	1.6
255.17487	1.8
261.05353	4.3
262.06268	5.8
263.06992	17.6
263.10812	2.6
264.07776	6.8
265.04913	3.9
265.08499	4.9
266.05658	3.7
267.02826	1.6
269.04327	1.7
273.05383	3.5
274.06238	3.4
275.07077	9.4
276.07788	4.8
277.04916	9.7
277.08536	5.8
278.05658	6.6
279.03650	1.3
279.06470	8.0
279.09674	1.7
280.03726	2.8
280.07086	4.1
281.04666	1.8
281.08017	6.1
287.06998	1.7
289.04904	6.4
289.08389	1.9
290.05606	5.1
290.08981	2.5
291.03207	2.0
291.06439	17.6
291.10010	4.2
292.03979	2.2
292.07266	16.4
293.04333	3.6
293.07956	13.2
294.05106	3.6
294.08447	2.1
295.02527	2.5
295.05914	7.8
295.09048	2.4
296.06848	2.5
301.04993	1.3
302.05679	4.0
303.06503	17.2
304.07080	5.9
305.04385	10.6
305.08020	8.4
306.05014	5.6
306.08652	4.5
307.05942	6.7
307.09576	6.6
308.03180	1.4
308.06793	2.1
309.04163	2.3
309.07498	9.8
309.10883	2.0
310.04590	1.5
311.05484	2.2
315.06235	1.5
317.07977	2.9
317.18488	1.3
318.05267	2.0
318.08798	2.1
319.06052	11.6
319.09396	3.1
320.03348	2.1
320.06747	17.3
321.04105	2.1
321.07571	18.6
321.11209	1.3
322.04651	2.3
322.08148	3.3
323.05499	7.8
323.08740	2.0
324.06113	2.6
325.06976	2.0
330.05008	3.1
331.06000	10.2
332.06516	4.0
333.03705	4.5
333.07535	5.1
333.10992	6.9
334.08203	5.6
334.11761	2.2
335.05554	2.7
335.09106	24.2
336.09775	8.2
337.06995	13.1
337.10568	3.7
338.07782	6.1
339.08481	2.0
339.12289	2.1
341.06570	3.3
345.07559	5.6
346.08197	3.1
347.05521	7.6
348.06326	13.8
349.06897	4.7
349.10699	9.3
351.08517	3.9
352.09155	6.0
353.06223	2.6
359.23734	1.9
362.07803	3.4
363.08609	42.7
364.08859	5.8
364.13043	10.3
365.06403	6.0
365.10153	3.6
365.13855	1.7
366.07077	1.8
367.11719	18.3
368.11899	1.7
377.10168	10.8
377.24609	2.8
380.08704	6.5
395.11130	100.0
395.25241	9.6
395.30081	2.3
396.11444	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74244	0.3
54.60328	0.4
55.74008	0.3
71.30602	0.4
77.43557	0.4
80.73713	0.3
82.83854	0.3
91.05479	0.8
119.04871	0.4
123.04416	3.2
135.08067	1.1
147.04431	1.0
153.09096	0.7
159.87552	0.4
163.07553	0.5
185.04199	5.8
185.05736	0.6
199.09676	1.0
203.05251	0.5
215.03351	0.6
215.06990	0.4
217.04771	1.7
232.07042	11.6
233.07826	11.3
243.02948	1.8
244.03571	0.5
245.04532	2.4
364.11212	2.1
365.12109	0.6
395.13101	100.0
396.13434	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
65.57622	0.5
69.53934	1.0
69.54339	1.8
70.06594	2.5
79.05464	0.6
81.62974	0.5
81.75724	0.5
85.02853	0.5
93.02979	0.4
96.43993	0.4
96.93745	0.4
118.06509	0.7
120.08173	0.7
133.44319	0.5
177.64830	0.5
195.09315	0.6
199.08565	3.2
200.09474	2.5
201.10266	1.4
211.08693	3.3
211.12344	0.6
212.09445	2.1
213.10254	6.6
214.11031	1.7
215.11801	9.2
217.09766	1.7
223.12331	0.6
225.10234	5.2
226.11050	1.3
227.08186	1.2
227.11853	0.8
228.12613	0.8
229.09724	2.2
231.11292	1.1
237.10223	0.5
239.02141	0.6
239.08101	4.8
239.11815	3.9
240.08913	1.2
240.12325	0.6
241.09720	3.4
241.13313	3.6
242.10492	5.8
243.07603	1.1
243.08743	0.6
243.11292	8.9
244.08517	0.7
245.09279	1.4
251.11821	1.2
252.08881	0.6
253.09702	5.1
254.10628	0.6
255.11357	0.7
256.12143	1.1
257.09280	5.6
257.12769	1.2
258.10223	0.9
259.10797	4.2
263.10385	3.0
267.11322	3.5
267.46591	0.5
268.08524	2.2
268.11728	0.6
269.12912	4.2
271.10788	31.7
272.11288	1.9
275.10281	2.5
279.11508	0.6
282.09964	0.8
285.09167	1.0
285.12274	7.3
286.09326	1.4
286.12698	0.7
287.13956	2.0
289.11813	0.5
295.10785	2.0
297.12387	6.4
298.12469	0.8
300.11090	0.9
303.09793	1.8
303.13452	1.6
304.10553	0.7
313.11841	7.0
315.13440	5.9
321.10895	3.3
323.10272	2.0
331.13019	3.0
333.14478	1.9
341.11365	8.3
349.14038	1.9
359.12415	13.4
360.12766	1.1
377.13452	23.2
378.13785	1.7
395.14487	100.0
396.14862	8.4
396.20056	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01891	0.3
55.05488	0.6
57.03450	0.4
61.22118	0.3
67.05486	1.5
67.50756	0.3
69.03426	0.9
69.07063	0.6
69.30392	2.2
71.66302	0.3
74.55099	0.3
79.05487	1.0
81.07066	1.6
81.07479	0.3
83.04962	0.4
85.02897	1.2
85.06542	1.3
91.05473	1.3
93.07050	1.9
95.04993	0.4
95.08592	1.9
97.02894	0.5
97.06553	0.4
98.23423	0.4
99.08091	5.9
100.08421	0.5
105.07035	2.4
107.08611	1.5
109.06509	0.3
109.10162	2.1
117.07021	0.6
119.08588	2.9
121.06536	0.6
121.10159	0.7
123.11726	0.4
125.09633	0.3
127.03924	0.4
130.07814	0.4
131.08559	1.4
133.06525	0.4
133.10149	1.4
135.11685	1.2
137.05963	0.6
137.09567	0.5
143.08615	0.6
145.10121	2.0
147.11700	0.9
151.07547	0.5
157.10152	0.9
159.08156	0.4
159.11641	0.8
161.09610	0.3
163.11060	0.4
169.10164	0.4
173.09590	0.5
180.69580	0.4
187.14774	0.7
193.15919	1.1
203.05260	11.1
205.15944	0.4
215.14211	2.3
233.11685	0.4
233.15318	2.1
234.41177	0.3
291.66794	0.3
395.20380	100.0
396.20718	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.204
Annotation	Gly Arg Tyr
Peak:m/z	Relative Intensity
53.03936	0.4
55.01891	0.3
55.05488	0.6
57.03450	0.4
61.22118	0.3
67.05486	1.5
67.50756	0.3
69.03426	0.9
69.07063	0.6
69.30392	2.2
71.66302	0.3
74.55099	0.3
79.05487	1.0
81.07066	1.6
81.07479	0.3
83.04962	0.4
85.02897	1.2
85.06542	1.3
91.05473	1.3
93.07050	1.9
95.04993	0.4
95.08592	1.9
97.02894	0.5
97.06553	0.4
98.23423	0.4
99.08091	5.9
100.08421	0.5
105.07035	2.4
107.08611	1.5
109.06509	0.3
109.10162	2.1
117.07021	0.6
119.08588	2.9
121.06536	0.6
121.10159	0.7
123.11726	0.4
125.09633	0.3
127.03924	0.4
130.07814	0.4
131.08559	1.4
133.06525	0.4
133.10149	1.4
135.11685	1.2
137.05963	0.6
137.09567	0.5
143.08615	0.6
145.10121	2.0
147.11700	0.9
151.07547	0.5
157.10152	0.9
159.08156	0.4
159.11641	0.8
161.09610	0.3
163.11060	0.4
169.10164	0.4
173.09590	0.5
180.69580	0.4
187.14774	0.7
193.15919	1.1
203.05260	11.1
205.15944	0.4
215.14211	2.3
233.11685	0.4
233.15318	2.1
234.41177	0.3
291.66794	0.3
395.20380	100.0
396.20718	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22583	1.5
53.03941	5.3
55.01865	2.6
55.05517	2.8
57.03434	9.2
61.02916	8.6
67.05507	6.6
69.03428	26.4
69.07084	2.9
69.38052	2.0
71.04989	4.7
73.02920	4.7
74.18653	1.4
79.05479	9.2
81.03427	10.6
81.07060	19.4
83.79107	1.5
85.02907	44.6
85.03431	2.4
87.04467	5.2
91.03954	2.8
91.05476	16.7
92.06277	2.4
93.07040	25.6
95.04978	4.3
95.08599	17.5
97.02890	19.0
97.06522	3.7
99.04453	6.6
103.03959	3.5
103.05479	2.7
105.06355	2.9
105.07030	25.9
106.07893	2.2
107.04959	3.2
107.08597	17.1
109.02865	5.8
109.06525	4.4
109.10161	4.2
111.08033	2.6
117.07047	5.6
119.04896	2.8
119.08584	82.3
120.08920	2.3
121.06512	5.5
121.10144	19.8
123.04407	10.4
123.08073	4.8
124.69578	1.7
127.03908	10.9
129.07014	3.4
130.07819	1.9
131.08582	17.6
132.09242	2.1
133.06506	4.0
133.10130	23.7
134.10930	27.3
135.08025	2.9
135.11693	2.9
137.06015	2.3
141.06950	2.0
142.07762	2.0
143.08563	7.3
145.04962	5.8
145.06488	2.7
145.10126	19.1
146.10873	2.2
147.04405	4.2
147.08040	4.0
147.11708	5.5
149.09505	1.8
155.08627	1.8
157.10121	8.1
159.08038	6.7
159.11679	16.7
161.09598	2.3
161.13219	2.0
163.07545	2.8
167.08624	2.6
169.10152	4.5
171.11684	2.2
173.09627	7.6
173.13258	3.6
177.09148	3.9
183.11858	2.1
185.09682	2.5
185.11313	1.7
185.13200	3.3
187.11324	1.9
187.14850	15.3
189.16348	2.0
195.11861	2.0
197.13289	5.2
205.15840	1.9
211.11212	1.9
211.14967	1.6
213.12772	2.7
215.03426	2.7
215.14252	9.3
229.15768	4.0
231.13933	2.2
233.15364	100.0
234.15762	6.5
243.02927	10.0
245.04480	5.0
245.15384	3.1
257.15240	3.9
273.04031	1.7
275.16467	2.5
302.17651	5.2
323.16479	2.3
334.20123	6.4
341.17508	2.7
359.18466	2.8
377.19540	4.2
378.22607	2.2
392.19989	1.7
395.07581	3.1
395.16537	6.0
395.20477	3.1
395.24356	4.4
396.23935	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22583	1.5
53.03941	5.3
55.01865	2.6
55.05517	2.8
57.03434	9.2
61.02916	8.6
67.05507	6.6
69.03428	26.4
69.07084	2.9
69.38052	2.0
71.04989	4.7
73.02920	4.7
74.18653	1.4
79.05479	9.2
81.03427	10.6
81.07060	19.4
83.79107	1.5
85.02907	44.6
85.03431	2.4
87.04467	5.2
91.03954	2.8
91.05476	16.7
92.06277	2.4
93.07040	25.6
95.04978	4.3
95.08599	17.5
97.02890	19.0
97.06522	3.7
99.04453	6.6
103.03959	3.5
103.05479	2.7
105.06355	2.9
105.07030	25.9
106.07893	2.2
107.04959	3.2
107.08597	17.1
109.02865	5.8
109.06525	4.4
109.10161	4.2
111.08033	2.6
117.07047	5.6
119.04896	2.8
119.08584	82.3
120.08920	2.3
121.06512	5.5
121.10144	19.8
123.04407	10.4
123.08073	4.8
124.69578	1.7
127.03908	10.9
129.07014	3.4
130.07819	1.9
131.08582	17.6
132.09242	2.1
133.06506	4.0
133.10130	23.7
134.10930	27.3
135.08025	2.9
135.11693	2.9
137.06015	2.3
141.06950	2.0
142.07762	2.0
143.08563	7.3
145.04962	5.8
145.06488	2.7
145.10126	19.1
146.10873	2.2
147.04405	4.2
147.08040	4.0
147.11708	5.5
149.09505	1.8
155.08627	1.8
157.10121	8.1
159.08038	6.7
159.11679	16.7
161.09598	2.3
161.13219	2.0
163.07545	2.8
167.08624	2.6
169.10152	4.5
171.11684	2.2
173.09627	7.6
173.13258	3.6
177.09148	3.9
183.11858	2.1
185.09682	2.5
185.11313	1.7
185.13200	3.3
187.11324	1.9
187.14850	15.3
189.16348	2.0
195.11861	2.0
197.13289	5.2
205.15840	1.9
211.11212	1.9
211.14967	1.6
213.12772	2.7
215.03426	2.7
215.14252	9.3
229.15768	4.0
231.13933	2.2
233.15364	100.0
234.15762	6.5
243.02927	10.0
245.04480	5.0
245.15384	3.1
257.15240	3.9
273.04031	1.7
275.16467	2.5
302.17651	5.2
323.16479	2.3
334.20123	6.4
341.17508	2.7
359.18466	2.8
377.19540	4.2
378.22607	2.2
392.19989	1.7
395.07581	3.1
395.16537	6.0
395.20477	3.1
395.24356	4.4
396.23935	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.258
Annotation	nor-Spiculoic acid A
Peak:m/z	Relative Intensity
53.03931	2.1
55.01868	1.0
55.05516	5.3
56.39370	0.9
57.03428	1.6
58.30900	0.9
67.05508	12.6
69.03410	0.9
69.07053	3.2
71.04997	1.7
71.30278	0.9
72.54455	0.7
75.16297	0.8
79.05488	12.2
81.07056	17.1
83.04995	5.4
83.08624	1.4
85.06520	1.4
91.05470	13.7
91.52103	0.7
93.07040	17.5
95.04984	4.3
95.08608	25.7
97.06521	3.8
97.10149	1.2
102.37843	0.7
103.05460	1.7
105.07025	16.7
107.08593	11.9
109.06503	4.3
109.10164	5.2
111.04418	2.1
111.08094	5.7
113.06012	1.0
115.05425	1.7
117.06981	6.2
119.07784	1.0
119.08585	15.4
120.08891	0.8
121.06474	3.8
121.10139	7.1
123.08040	6.9
123.11690	1.0
125.09657	0.8
128.06218	4.0
129.06999	7.8
131.04901	0.9
131.08563	14.6
132.08888	0.8
133.06477	1.7
133.10114	10.4
135.08058	2.8
135.11703	3.9
137.09612	1.2
139.07521	1.5
141.06998	4.8
141.09097	3.4
142.07774	4.9
143.08566	19.4
144.09177	1.4
145.10120	17.7
147.08012	4.1
147.11681	6.2
149.09621	1.5
149.13228	1.1
153.07022	1.9
154.07838	1.2
155.08545	9.6
156.09332	5.0
157.08904	1.1
157.10133	17.9
158.10829	2.0
159.08067	1.5
159.11687	14.4
161.09615	7.1
161.13232	3.3
163.11176	2.3
165.06978	2.4
166.07678	1.4
167.08571	3.0
168.09303	2.5
169.10130	13.3
170.10735	1.8
171.08069	2.0
171.11673	16.1
172.08693	1.0
172.12390	2.4
173.09641	2.3
173.13271	9.0
174.10364	0.8
175.11183	3.6
175.14838	1.2
179.08539	2.4
180.09315	1.7
181.10153	8.0
182.10875	3.1
183.08223	1.0
183.11697	11.9
184.08839	1.8
184.12393	2.4
185.09625	2.5
185.13231	6.4
186.10306	1.3
187.11212	5.6
187.14799	2.6
189.12711	7.6
193.10150	2.8
194.10849	2.2
195.11693	7.8
196.12402	2.6
197.09521	1.0
197.13252	7.8
199.11179	16.5
199.14754	5.9
200.11755	2.1
201.12747	10.8
202.12962	0.8
207.11671	3.0
208.12367	1.8
209.13263	8.1
210.13658	1.0
211.11209	0.9
211.14801	12.1
212.15292	1.2
213.12758	6.3
213.16396	3.3
214.13530	1.1
215.14290	6.6
216.15123	0.9
217.15837	3.6
219.11664	1.5
221.13252	2.4
222.14001	1.8
223.14752	4.6
225.12787	1.2
225.16295	2.6
226.17088	0.9
227.14218	3.9
227.17899	2.2
229.15773	1.4
235.14775	2.0
237.16359	13.2
238.16841	1.1
239.14268	2.0
239.17900	1.6
240.15082	0.9
240.18658	1.4
241.15898	1.9
249.16301	1.4
251.14435	1.1
251.17870	1.3
253.15868	2.7
253.19478	1.3
254.16611	2.2
255.17436	23.8
256.17883	2.3
263.17865	1.6
267.17590	1.8
278.20139	1.3
279.17517	1.1
281.18930	3.8
296.21201	1.8
306.04996	1.0
311.19891	2.4
331.24112	1.1
349.25269	3.4
351.23248	6.8
352.23627	1.0
357.11719	0.9
359.23563	1.5
367.26257	1.5
377.24686	15.7
378.24939	1.5
395.11127	2.8
395.14795	3.5
395.25760	100.0
396.26111	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2577
Annotation	Heteranthin
Peak:m/z	Relative Intensity
53.03939	1.2
55.01871	1.4
55.05503	7.1
57.03434	2.1
62.14851	0.7
63.23498	0.6
63.98083	0.6
65.03927	1.0
67.05500	12.9
68.41444	0.5
69.03436	1.4
69.07067	4.0
71.04990	0.8
71.31384	0.7
73.90869	0.5
77.31482	0.6
79.05055	1.1
79.05484	10.8
79.05904	0.9
79.51289	0.6
81.03406	1.1
81.07050	15.6
83.04980	5.4
83.08609	1.3
85.06514	0.6
91.05474	12.5
93.07040	17.0
95.04944	5.1
95.08603	26.8
96.08901	0.8
97.02902	0.7
97.06549	4.5
97.10140	1.1
103.05463	1.3
105.07024	17.5
107.04961	0.7
107.08583	13.1
109.06511	3.7
109.10158	5.7
111.04427	2.6
111.08078	6.4
113.05998	1.1
115.05433	1.6
116.06255	0.8
117.07021	7.5
119.08578	17.4
120.08884	1.0
121.06515	4.5
121.10144	9.0
123.08066	7.2
123.11680	1.6
125.09599	1.1
128.06183	3.2
129.07016	9.2
130.07802	1.8
131.08562	15.6
133.05345	0.6
133.06487	1.9
133.10129	9.8
135.08025	3.0
135.11673	3.5
137.09610	1.6
139.07523	2.2
139.11185	0.7
141.06964	4.6
141.09097	2.3
142.07788	5.8
143.08565	17.8
144.09296	2.3
145.06496	1.5
145.10121	18.9
147.08018	4.5
147.11685	5.5
149.09630	2.2
149.13264	1.3
153.06995	1.9
154.07787	2.0
155.08549	11.0
156.09355	5.2
157.06528	1.1
157.10121	19.9
158.10846	2.4
159.08026	2.5
159.11681	12.6
160.12236	0.7
161.09619	6.8
161.13271	4.3
163.11221	2.6
165.06999	2.4
166.07803	1.3
167.08495	3.4
168.09354	2.7
169.10133	13.0
170.10823	2.4
171.07945	0.8
171.11671	20.3
172.08810	1.2
172.12317	2.1
173.09595	2.5
173.13242	10.2
174.13602	0.6
175.11189	5.1
179.08565	1.7
179.10690	2.2
180.09344	1.9
181.10133	6.6
182.10878	2.6
183.11676	12.3
184.12364	2.0
185.09662	2.6
185.13272	7.2
186.10316	1.6
187.11150	5.4
187.14757	2.9
189.12744	7.0
189.16347	0.9
192.09052	0.7
193.10106	2.4
194.10884	2.1
195.11679	9.4
196.12416	2.6
197.13242	8.1
198.13867	1.3
199.11177	14.7
199.14801	4.7
200.11699	1.8
201.12747	11.3
201.16431	0.8
202.13052	0.8
203.14308	1.0
207.11678	4.1
207.13544	0.9
208.12469	1.7
209.13216	8.4
210.13933	1.7
211.11226	1.7
211.14812	12.9
212.15517	1.0
213.12753	5.3
213.16391	2.9
214.13495	1.0
215.14325	7.8
216.14751	1.0
217.15880	3.3
221.13243	2.1
222.14059	1.8
223.14810	4.8
224.15523	0.9
225.12790	1.0
225.16306	3.4
226.13301	0.9
227.14336	3.8
227.17821	3.0
229.15919	0.9
233.13257	1.0
235.14856	2.4
237.12740	0.9
237.16360	12.2
238.16798	0.7
239.14261	1.9
239.17952	2.4
240.18713	1.3
241.15854	2.5
249.16367	1.6
251.14417	0.7
251.17816	1.3
253.15785	2.7
253.19513	1.3
254.16756	2.9
255.17406	21.0
256.17859	1.1
257.18973	1.2
263.17902	1.3
265.15628	0.8
265.19565	0.7
267.17410	1.0
267.20865	0.9
277.19568	0.9
278.20175	1.3
281.19012	4.0
293.18875	0.9
295.20587	1.1
296.21310	2.8
297.21625	0.9
311.20016	2.2
321.21884	1.4
331.24313	1.2
333.21860	0.9
339.08929	0.8
349.25143	3.6
351.23160	6.9
352.23328	1.0
359.23782	2.1
367.26208	2.5
377.20166	1.0
377.24716	15.5
378.24927	1.1
395.25748	100.0
396.26138	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	3.5
65.03905	2.2
67.05506	5.4
69.03435	6.3
69.07077	3.6
69.45431	12.2
79.05503	10.5
81.07065	3.2
83.01335	2.8
83.04985	4.3
85.02905	6.3
91.05482	12.1
93.07037	3.4
95.04948	4.5
95.08618	3.8
97.02901	4.0
97.06548	6.0
97.84619	2.3
98.97617	2.9
107.08592	35.6
109.10149	15.0
109.46915	2.0
110.87404	2.3
111.04471	3.3
116.70117	2.1
116.85919	2.1
117.07021	3.1
117.24183	2.1
121.32600	2.2
123.04404	2.5
125.06011	4.5
125.09611	4.0
127.03898	2.7
135.08052	59.5
137.09615	6.8
141.05440	16.7
153.09084	21.2
163.07532	53.0
164.07918	2.6
181.08582	23.7
199.09634	100.0
200.10057	3.1
217.10693	4.6
259.94034	2.7
277.10291	2.5
397.14563	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.1
55.05505	1.7
67.05505	6.1
69.03429	4.5
69.07063	6.5
70.60282	3.2
79.05496	5.4
81.07056	4.0
83.01328	2.0
83.04978	3.2
85.02903	8.1
91.05499	5.6
93.07019	2.6
97.02914	3.8
97.06522	8.5
99.04491	2.1
105.07008	2.6
107.08590	36.6
109.06504	1.6
109.10156	24.0
111.04473	3.9
115.05442	1.7
117.07016	4.2
125.05967	7.5
125.09615	5.6
135.08057	57.9
136.08351	2.1
137.09631	12.0
139.07590	2.0
143.07042	2.0
153.09100	23.3
163.07533	57.6
164.07889	3.1
170.10677	1.8
171.10194	3.0
181.08588	22.8
182.08972	2.0
199.09657	100.0
200.10049	5.9
217.10699	5.0
299.16776	1.5
397.10550	3.3
397.14981	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01870	0.6
55.05525	0.5
57.03428	2.4
67.05508	0.5
69.03429	12.7
69.07070	11.9
69.17374	3.8
69.17777	0.8
70.88076	0.4
74.11539	0.5
79.05493	1.2
81.03425	0.5
81.07065	0.7
83.04984	12.5
85.02908	2.8
87.96286	0.4
93.07027	0.7
97.02905	0.6
97.06534	13.6
98.23375	0.9
107.05004	0.5
107.08582	1.1
109.10136	0.6
120.26520	0.5
125.05991	68.9
126.06332	1.9
135.08032	0.6
137.05951	0.7
143.07034	100.0
144.07372	3.0
145.04974	0.5
151.12460	0.5
160.11328	0.5
161.09590	0.5
163.07547	0.7
180.08551	0.5
181.08583	0.9
199.09663	17.0
200.09979	1.1
216.17477	1.1
217.10707	30.0
218.11090	1.1
218.86679	0.4
268.92670	0.5
269.50256	0.6
302.17584	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04058	1.8
51.19993	1.7
55.01880	3.2
57.03416	2.3
60.48191	1.8
64.58971	1.6
67.05510	5.4
69.03434	5.4
69.03842	19.9
69.07070	7.8
70.06632	2.6
79.05508	8.1
81.07053	4.8
83.01347	2.6
83.04998	4.0
84.53421	1.8
85.02921	5.3
91.05481	5.2
93.07045	4.9
95.04948	3.3
95.08596	3.6
97.02883	2.8
97.06538	15.9
105.07020	2.9
107.04958	3.0
107.08596	43.0
109.06513	5.7
109.10147	29.0
111.04472	4.5
111.08120	3.3
112.22923	2.4
117.07054	3.6
123.04453	5.9
125.05974	9.9
125.09656	4.6
135.08055	64.5
137.09633	15.1
143.07069	3.7
153.09105	24.1
157.08632	4.0
163.07538	65.7
164.07932	3.7
181.08604	32.7
199.09663	100.0
200.10028	5.7
212.32745	2.1
217.10747	6.1
234.08530	2.8
235.05760	3.0
264.59448	2.1
396.13577	10.9
397.10266	3.6
397.14783	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0918
Annotation	4'-O-Demethyldehydropodophyllotoxin
Peak:m/z	Relative Intensity
50.34060	1.4
55.01877	1.7
55.05520	2.0
63.90028	1.2
67.05502	1.5
68.99792	1.7
69.03422	2.2
69.18269	2.7
69.18674	7.9
70.35760	1.3
79.05495	3.0
81.07061	2.5
81.24728	1.4
83.04974	3.2
91.05484	14.8
93.07050	4.5
95.04978	1.5
95.08611	2.9
97.06538	7.3
99.04476	3.6
105.07034	5.6
107.08626	3.1
115.05450	2.5
117.07041	2.7
119.08594	5.6
121.10185	2.1
123.05638	1.5
127.03942	1.6
128.06274	2.5
129.07013	2.2
131.04993	2.0
131.08594	2.5
133.10150	4.1
141.07048	3.1
143.08572	3.5
145.10168	2.0
147.08022	1.5
149.13222	1.9
151.05513	1.4
152.06209	9.2
153.07001	5.8
154.07784	2.7
155.08580	4.2
156.05727	1.4
159.11722	4.5
161.13118	1.7
163.05461	1.4
165.06979	11.8
165.12834	1.4
166.07785	4.1
167.04936	1.6
167.08549	13.1
168.05750	1.6
168.09183	1.2
169.06511	2.2
169.10112	2.9
171.08080	2.7
175.03880	3.5
176.06303	2.7
177.07072	5.1
177.12828	3.6
178.06444	1.3
178.07756	6.3
179.08525	8.9
180.05708	1.4
181.06490	11.8
182.07185	2.4
183.04350	1.8
183.08049	4.8
184.05180	1.2
189.01851	4.5
189.07094	2.1
189.09087	1.4
190.07895	1.8
191.08679	1.4
192.05788	1.7
193.06517	5.5
194.07336	2.4
195.04469	1.8
195.08040	17.4
196.08813	1.6
197.09615	4.2
199.03899	2.9
205.06467	9.3
206.07335	2.6
207.08093	14.9
207.10023	3.0
208.05185	3.3
209.06015	13.8
209.09669	2.2
210.06683	2.7
211.03983	3.9
211.07619	5.2
212.04639	2.7
213.01700	1.7
213.05455	3.5
215.03447	3.6
217.01346	2.4
217.16377	1.3
219.08214	1.5
220.05196	3.1
221.06004	7.3
221.11807	5.3
222.06679	2.6
223.04021	3.1
223.07541	26.4
223.09615	2.2
224.04755	2.2
224.08180	3.0
225.05544	4.9
225.09019	6.4
226.06264	2.9
227.03343	4.6
227.07085	5.9
229.05026	2.4
233.06023	8.5
234.06635	3.2
235.07584	14.2
236.04681	3.6
236.08247	2.7
237.05461	27.5
237.08003	1.5
237.09122	3.4
238.06184	9.8
239.03409	5.1
239.07001	17.9
240.04172	2.2
240.07774	4.1
241.04987	3.6
241.08513	3.1
242.05731	1.7
243.06558	4.8
247.07648	1.4
249.05452	13.8
250.06276	9.1
250.08817	1.7
251.03279	2.5
251.07045	32.3
251.10892	1.7
252.04218	3.9
252.07816	6.7
253.04967	9.4
253.08589	25.2
254.02226	2.6
254.05823	3.0
254.09244	3.8
255.02901	5.2
255.06540	2.6
255.10107	1.6
257.04510	5.5
261.05502	8.2
262.06296	2.9
263.07025	21.4
264.04279	2.0
264.07809	9.7
265.05005	20.1
265.08624	16.9
266.05768	21.0
266.08777	2.5
267.03189	3.5
267.06516	29.9
267.09860	2.3
268.07184	4.8
269.04547	2.0
269.08072	3.3
271.06052	1.7
273.03995	5.1
276.04251	2.2
277.05014	16.5
278.05685	5.1
278.09061	2.4
279.03653	1.0
279.06549	29.7
280.03729	4.6
280.07196	7.2
281.04562	11.6
281.08133	50.4
282.01712	2.3
282.05167	4.9
282.08786	11.7
283.06174	2.3
283.09692	4.6
285.03970	2.8
285.07532	1.7
289.04987	2.5
291.06503	23.5
292.07169	10.9
293.04517	7.8
293.08115	28.1
294.05222	17.0
294.08746	8.4
295.06024	67.1
295.09387	3.9
296.06705	22.5
297.04218	2.4
297.07495	5.0
298.04898	2.0
299.05435	1.6
299.09222	2.3
305.04596	3.2
305.08182	1.5
307.06030	8.2
307.09396	2.3
308.03384	2.8
308.06769	8.5
309.04065	7.1
309.07541	100.0
310.08188	21.5
311.05457	5.7
311.09024	4.3
313.03598	2.5
313.06982	3.7
313.10626	2.5
315.04807	1.6
319.06000	23.3
320.06607	4.9
321.07535	9.1
322.04776	8.5
322.08072	2.5
323.05481	17.1
323.09189	20.5
324.09937	4.0
325.03445	12.6
325.07150	5.1
325.10721	4.6
326.04129	2.6
326.07825	4.8
327.08698	5.6
337.07083	68.5
337.10440	2.7
338.07547	7.9
339.08563	4.1
339.12277	1.7
341.10254	8.0
347.05566	4.3
348.10089	1.9
351.08582	13.2
353.10208	15.1
355.08130	11.1
355.11856	3.7
364.05969	3.7
365.06546	66.1
366.06870	5.7
367.11893	2.0
369.09628	15.0
370.10086	2.1
379.07993	16.4
379.11911	2.2
382.10638	2.7
396.12045	4.6
397.09186	42.8
397.13000	20.7
397.23672	6.4
398.09454	4.2
398.13388	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31812	0.4
65.21147	0.4
69.21459	3.0
74.34543	0.4
84.58427	0.4
85.02914	0.5
98.22633	0.8
138.35020	0.3
185.04134	0.6
203.05299	0.6
235.05774	1.4
367.09970	5.9
394.61984	0.4
397.11026	100.0
398.11298	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90381	0.3
63.86680	0.3
66.37997	0.3
69.84776	0.4
69.85079	1.7
105.07040	1.3
107.34646	0.3
122.09690	1.0
131.36908	0.3
147.04468	0.3
235.05745	0.8
262.39902	0.4
315.44446	0.4
324.11740	0.4
397.11044	100.0
398.11377	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.12
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51281	0.7
57.29797	0.6
60.05630	0.9
69.03445	1.1
69.96073	1.5
69.96433	1.2
70.06583	0.9
72.34324	0.6
73.02892	0.9
74.33277	0.7
82.99840	1.1
85.02904	0.9
89.97974	0.6
94.99870	0.7
98.23296	0.9
101.00890	13.4
103.00644	0.8
113.00858	1.6
115.02429	1.7
119.01928	15.8
120.02090	0.9
121.01677	1.2
127.02435	5.0
129.03990	1.2
131.01929	4.8
133.03461	3.3
137.02950	0.7
139.02464	3.4
143.01898	3.6
145.01657	1.1
145.03464	15.0
145.04611	0.7
146.03543	1.5
147.03232	2.0
147.05113	0.7
149.32114	0.7
155.01889	6.3
157.01607	1.3
157.03485	15.2
158.03535	1.0
161.02930	3.6
163.02725	1.3
163.04517	1.4
164.02356	1.0
169.03455	2.9
171.03430	0.9
171.05049	1.4
173.03049	3.7
175.02969	1.3
175.04503	5.8
179.01970	1.8
181.03542	1.7
183.05072	1.8
185.02983	2.0
187.02989	0.7
187.04515	3.7
189.04311	2.8
189.06012	1.1
193.03667	1.5
193.05609	5.7
195.05107	0.7
197.02936	3.5
199.04536	1.4
203.04092	2.4
205.03635	2.1
205.05536	0.7
211.04544	3.3
211.06660	7.1
212.06772	0.8
213.06076	0.8
219.07115	0.8
221.03171	1.1
221.05110	7.2
223.04688	2.7
223.06689	0.9
229.05603	1.6
233.03297	0.9
235.00494	0.9
235.06644	24.4
236.06862	2.1
241.05630	0.8
245.05051	5.3
246.05533	1.0
247.06664	21.0
248.06863	1.7
249.08217	6.3
259.06717	2.9
260.07260	0.8
261.08307	0.7
263.06152	1.5
265.08072	1.8
271.06638	9.2
272.06970	1.0
275.05835	0.8
277.02478	1.2
277.07697	2.8
289.02533	1.0
289.07819	1.9
311.85886	0.7
337.09799	100.0
338.10034	10.3
355.10989	5.0
380.07104	0.7
397.05801	1.2
397.11270	5.5
402.41962	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.12
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51281	0.7
57.29797	0.6
60.05630	0.9
69.03445	1.1
69.96073	1.5
69.96433	1.2
70.06583	0.9
72.34324	0.6
73.02892	0.9
74.33277	0.7
82.99840	1.1
85.02904	0.9
89.97974	0.6
94.99870	0.7
98.23296	0.9
101.00890	13.4
103.00644	0.8
113.00858	1.6
115.02429	1.7
119.01928	15.8
120.02090	0.9
121.01677	1.2
127.02435	5.0
129.03990	1.2
131.01929	4.8
133.03461	3.3
137.02950	0.7
139.02464	3.4
143.01898	3.6
145.01657	1.1
145.03464	15.0
145.04611	0.7
146.03543	1.5
147.03232	2.0
147.05113	0.7
149.32114	0.7
155.01889	6.3
157.01607	1.3
157.03485	15.2
158.03535	1.0
161.02930	3.6
163.02725	1.3
163.04517	1.4
164.02356	1.0
169.03455	2.9
171.03430	0.9
171.05049	1.4
173.03049	3.7
175.02969	1.3
175.04503	5.8
179.01970	1.8
181.03542	1.7
183.05072	1.8
185.02983	2.0
187.02989	0.7
187.04515	3.7
189.04311	2.8
189.06012	1.1
193.03667	1.5
193.05609	5.7
195.05107	0.7
197.02936	3.5
199.04536	1.4
203.04092	2.4
205.03635	2.1
205.05536	0.7
211.04544	3.3
211.06660	7.1
212.06772	0.8
213.06076	0.8
219.07115	0.8
221.03171	1.1
221.05110	7.2
223.04688	2.7
223.06689	0.9
229.05603	1.6
233.03297	0.9
235.00494	0.9
235.06644	24.4
236.06862	2.1
241.05630	0.8
245.05051	5.3
246.05533	1.0
247.06664	21.0
248.06863	1.7
249.08217	6.3
259.06717	2.9
260.07260	0.8
261.08307	0.7
263.06152	1.5
265.08072	1.8
271.06638	9.2
272.06970	1.0
275.05835	0.8
277.02478	1.2
277.07697	2.8
289.02533	1.0
289.07819	1.9
311.85886	0.7
337.09799	100.0
338.10034	10.3
355.10989	5.0
380.07104	0.7
397.05801	1.2
397.11270	5.5
402.41962	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1282
Annotation	beta-Apopicropodophyllin
Peak:m/z	Relative Intensity
55.01862	2.3
55.05507	1.6
59.04993	3.2
62.92780	1.0
65.03927	1.4
67.05499	3.1
68.99790	1.3
71.86076	0.9
75.04478	17.1
79.05489	4.7
79.67822	1.2
81.07046	3.1
85.06544	1.2
91.05479	40.9
92.05812	5.8
93.07046	3.3
95.04980	3.3
95.08594	2.5
97.06535	1.9
99.04456	3.5
101.06010	7.1
103.05437	1.4
105.07027	2.4
106.06551	3.7
107.04959	1.4
107.08584	2.1
108.08121	6.4
109.06520	4.2
111.08082	1.7
115.05440	1.4
119.04930	1.3
119.08590	2.1
119.20447	1.0
121.06525	2.9
123.04442	1.3
123.08101	1.8
125.05994	1.9
127.07531	1.5
129.07013	2.8
131.08539	1.4
132.05675	1.4
133.10201	1.2
135.07980	1.3
139.07550	3.8
141.05371	1.3
141.06979	2.9
145.06494	2.3
145.10092	1.4
151.03896	4.2
152.06215	1.6
153.05502	1.9
153.06996	1.9
155.08624	1.2
157.06552	2.0
159.04344	1.1
165.05775	1.5
165.06937	5.4
165.12753	8.8
166.07693	1.8
166.13049	1.8
167.07149	1.4
167.08585	2.2
169.06526	2.1
169.75896	1.1
171.04424	1.5
171.08098	2.3
171.23991	1.0
173.06001	2.3
175.03935	4.6
177.05486	2.6
177.06989	2.0
178.07780	5.7
179.08569	6.8
180.09230	1.5
181.06522	2.8
181.10132	1.9
182.07326	2.0
185.05966	3.7
189.01881	2.0
189.05428	1.7
189.07028	2.7
190.07784	5.5
191.08537	9.4
192.09352	1.7
193.06535	2.7
193.10123	3.7
194.07335	2.0
195.08109	7.3
197.06024	2.3
199.03896	2.2
199.07611	1.4
201.05457	2.9
202.07808	2.3
203.06911	2.0
203.08560	4.2
203.10394	1.0
205.06517	4.4
206.07291	4.7
207.08075	4.7
207.10168	2.9
208.08807	6.3
209.05972	1.9
209.09686	5.1
210.06769	1.7
211.07408	2.4
212.04744	1.4
213.05511	5.1
214.06233	3.2
215.03474	5.2
215.06978	5.4
218.07333	2.8
219.08054	23.5
219.10011	2.0
220.05205	1.4
220.08771	4.8
221.05998	6.6
221.09496	7.0
222.06764	2.9
223.07495	8.0
223.11211	3.8
224.08299	1.9
225.05542	3.7
225.09081	2.4
226.06204	2.2
227.03432	2.0
227.07011	4.2
228.04178	3.3
229.08617	4.5
230.05754	1.5
231.06236	1.9
231.08194	2.8
232.08771	1.6
233.06021	2.7
233.09641	2.8
234.06685	7.3
235.07567	8.5
236.04663	1.7
236.08258	6.6
237.05539	4.1
237.09056	6.9
238.06210	3.8
238.09927	1.5
239.06987	6.4
239.10715	2.2
240.04086	1.9
240.07845	1.4
241.04915	4.9
241.08618	1.8
242.05730	2.1
243.02814	3.2
243.06601	2.4
245.08185	3.2
246.06787	1.8
247.07545	21.1
248.08266	8.8
249.05490	9.9
249.09143	12.9
250.06068	4.1
250.09790	3.0
251.07018	15.7
251.10616	9.4
252.04205	1.3
252.07735	6.0
253.08600	8.7
254.05606	2.0
255.06551	5.5
257.08240	1.6
261.09103	5.3
262.06171	8.2
263.07034	18.4
263.10541	2.9
264.07779	15.8
265.05017	5.8
265.08572	13.1
266.05951	5.3
266.09183	6.4
267.06589	4.2
267.10037	6.1
268.07394	1.8
268.10596	1.4
269.08102	3.0
270.05325	1.1
271.02390	1.7
271.05930	2.1
275.07053	6.4
276.07764	7.6
277.05115	2.9
277.08575	64.6
278.05804	3.6
278.09293	19.3
279.03629	1.0
279.06552	20.3
279.10135	22.7
280.07269	5.8
280.10739	2.8
281.04840	2.0
281.08084	12.9
281.11694	3.1
282.05505	1.2
282.08792	3.4
283.06131	1.4
283.09647	2.4
285.07520	2.8
286.04742	4.2
287.09238	1.7
289.05038	1.4
289.08530	2.7
290.05753	1.9
290.09140	1.2
291.06500	6.1
291.09995	2.8
292.07242	8.1
293.04663	2.6
293.08060	14.3
293.11316	1.9
294.05350	2.9
294.08789	22.2
295.06067	2.5
295.09573	9.5
296.06958	2.0
296.10059	2.3
297.07620	4.3
297.10886	1.3
299.05521	2.5
301.06970	5.6
302.07535	1.9
303.06461	1.6
304.07098	4.8
305.04837	0.8
305.08047	27.9
306.08707	7.4
307.06064	7.8
307.09634	14.0
308.06729	4.1
308.10431	10.3
309.07584	9.5
309.11121	53.1
310.08331	2.3
310.11722	4.8
311.05524	2.1
311.09183	2.7
311.12863	2.7
313.07101	2.4
314.07843	3.0
319.09631	6.7
320.10312	4.0
321.07550	11.0
321.11237	3.2
322.08261	10.1
323.09088	10.1
324.09836	9.2
325.06857	1.9
325.10620	2.1
326.07861	2.3
332.06854	1.2
333.07687	3.1
334.08414	1.8
335.05701	1.6
335.09152	9.1
336.09882	6.0
337.06946	4.3
337.10641	37.8
338.11252	5.6
339.08530	2.0
339.12259	5.3
340.09528	2.8
341.10117	1.6
341.13766	18.4
342.14267	1.5
347.09195	1.9
349.06940	1.3
349.10709	3.5
351.08398	1.9
351.12299	4.3
352.09488	5.9
353.10107	1.4
355.11740	5.3
364.09488	1.1
365.10190	4.2
366.10858	1.5
367.11737	90.1
368.12198	7.8
369.13312	37.4
370.13602	3.2
379.11670	6.8
397.12808	100.0
398.13083	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1282
Annotation	Cilinaphthalide A
Peak:m/z	Relative Intensity
59.85196	1.4
60.58562	1.3
62.84609	1.4
69.20325	10.3
87.04461	1.4
91.05488	2.8
99.04451	22.9
112.38858	1.4
119.04946	3.6
127.03927	8.9
132.05724	8.6
134.41745	1.2
137.68727	1.2
141.87144	1.3
147.08044	3.6
152.87204	1.3
165.06932	1.5
167.08682	1.6
175.07581	2.1
177.05476	2.1
178.07753	1.3
179.10674	3.6
191.08603	1.7
193.06549	1.4
193.50751	1.2
195.08109	1.9
197.05899	2.1
203.62358	1.3
205.06499	2.2
207.04453	2.3
207.08258	2.1
207.10156	19.4
209.05894	2.1
209.09645	1.7
210.06728	2.0
211.07544	1.9
219.08057	1.5
221.06001	1.3
222.06670	6.0
223.03815	1.6
223.07539	4.2
225.05557	2.6
225.09117	1.4
225.11176	2.2
226.06258	1.3
233.05870	1.6
234.06712	2.5
235.03879	1.6
235.07466	6.2
236.08160	2.6
237.05469	4.6
237.09084	3.7
238.06224	3.0
239.06992	3.0
248.04736	1.3
248.08224	2.4
249.05412	4.3
249.09126	3.2
250.06250	4.5
251.03374	5.7
251.07031	9.4
252.04095	1.6
252.07755	4.5
253.04984	3.6
253.08653	4.5
255.06642	2.5
262.06332	4.0
263.07037	10.3
264.04221	2.2
264.07745	4.6
265.05014	10.9
265.08487	7.4
266.05725	6.5
266.09222	3.0
267.06430	4.0
268.07193	2.0
269.08179	2.4
275.07159	1.7
276.07788	2.3
277.04907	2.0
277.08585	3.8
278.05750	4.3
278.09277	4.8
279.06485	14.0
279.09576	1.7
280.04144	2.4
280.07220	13.0
281.04462	4.2
281.07999	5.1
282.05136	3.6
282.08456	2.5
283.06091	3.3
291.06497	7.8
291.09891	2.5
292.04160	1.9
292.07254	8.9
293.04404	8.8
293.08060	10.9
294.05182	9.5
294.08810	11.2
295.05957	5.7
295.09650	11.0
296.06720	3.9
297.04352	1.8
297.07492	6.3
297.11133	3.2
299.05322	2.8
305.08170	6.7
306.08804	3.7
307.05981	15.5
307.09656	3.9
308.06754	12.7
309.07547	17.0
309.11252	5.4
310.04785	2.5
310.08197	4.4
311.05469	20.8
311.08774	2.5
312.05759	2.0
313.07098	1.9
319.09741	1.7
321.07571	7.3
321.11108	2.6
322.08408	8.2
323.09125	100.0
324.06308	1.5
324.09750	35.8
325.07025	12.0
325.10706	13.8
326.07776	29.4
327.08435	5.3
327.11890	1.4
333.07553	3.7
334.08575	2.0
335.08972	2.1
336.10147	2.0
337.07394	10.1
337.10220	10.1
338.07944	1.4
338.11511	6.1
339.08560	9.5
339.12296	16.6
340.09338	14.5
340.12817	2.0
341.09967	2.8
348.09918	9.2
349.07037	2.1
349.10791	6.9
351.08578	5.2
352.09515	2.5
353.06400	1.3
353.10214	16.1
354.10831	4.4
355.11765	43.2
356.12128	4.5
364.09528	2.4
365.10162	7.3
366.10959	17.1
367.07910	1.6
367.11761	29.8
368.12357	1.6
369.13580	6.4
379.11795	18.6
382.10300	6.4
397.12811	62.6
398.13150	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1282
Annotation	Cilinaphthalide A
Peak:m/z	Relative Intensity
64.88509	1.2
68.99768	1.8
69.20872	1.9
69.21284	6.7
75.04484	1.9
77.55573	1.4
91.05460	2.2
93.07034	1.3
94.13103	1.3
99.04448	34.6
104.06264	1.6
115.03976	1.4
115.05452	1.8
117.07059	1.7
119.04946	4.9
119.08587	1.7
121.06449	1.7
122.03056	1.1
127.03909	16.5
132.05690	11.7
133.06062	1.4
134.07242	1.7
147.08046	4.2
149.05988	1.7
160.05211	1.7
165.06897	1.5
175.07542	2.0
178.06319	1.5
178.07729	1.5
179.08603	1.9
179.10684	4.6
180.69766	1.3
191.08524	1.7
192.07791	2.2
193.08524	1.8
196.05347	1.7
197.05949	1.7
205.06606	2.3
207.08220	1.7
207.10159	32.9
208.10539	1.6
211.07520	1.7
213.05525	3.2
218.07137	1.4
219.08069	1.9
220.08917	1.4
221.06058	2.6
222.06755	3.7
223.03934	3.8
223.07524	3.4
224.08127	2.0
225.05542	3.5
225.11223	2.4
233.05905	1.7
235.07552	3.3
236.04596	2.0
236.08235	1.9
237.05472	5.0
237.09120	5.6
238.06226	2.2
239.06953	3.1
240.04074	1.7
241.04904	2.9
247.07527	2.8
248.08301	2.2
249.05466	2.6
249.09082	2.6
250.06337	6.1
251.03392	4.0
251.07048	8.4
252.04080	1.6
252.07803	4.0
253.05002	6.3
254.05772	2.0
255.06720	2.2
262.06277	3.5
263.07034	11.9
264.04251	1.8
264.07764	4.6
265.05075	9.9
265.08456	8.8
266.05743	6.6
266.08624	1.3
267.06558	4.0
267.10135	1.7
268.07346	2.1
269.08078	1.9
275.07071	3.0
276.07825	2.2
277.05179	1.9
277.08572	5.6
278.05768	3.9
278.09387	5.7
279.06546	15.6
279.09851	3.1
280.04507	1.6
280.07306	10.1
281.04416	4.3
281.08047	6.9
281.11215	1.4
282.05185	2.5
282.08841	1.7
283.06027	3.2
291.06561	8.5
291.09473	2.0
292.03918	1.9
292.07272	5.2
293.04437	9.3
293.08032	13.1
294.05176	10.7
294.08850	11.0
295.05963	6.3
295.09628	10.6
296.06726	4.9
296.10059	2.5
297.07538	6.5
297.10965	2.1
298.08191	2.7
299.05463	1.6
303.06586	2.0
305.07996	6.5
306.08810	4.6
307.06180	12.5
307.09470	2.6
308.06778	13.8
309.04160	2.4
309.07538	13.8
309.11212	3.4
310.04898	1.9
310.08261	3.3
311.05502	18.0
311.08884	2.3
311.12726	1.6
312.05988	2.6
313.06946	1.9
319.06107	1.7
320.06683	2.3
321.07388	6.3
322.08334	9.0
323.09119	100.0
324.06326	2.4
324.09805	28.6
325.07037	10.2
325.10703	13.0
326.07788	30.0
326.11502	2.1
327.08481	6.8
327.12115	2.7
333.07532	6.4
335.09070	2.2
337.07050	7.8
337.10754	10.7
338.07776	2.5
338.11151	7.6
339.08572	11.2
339.12271	14.4
340.09232	16.9
340.12726	1.9
341.05783	1.4
341.09863	2.4
347.09174	2.9
348.09814	6.2
349.06888	3.3
349.10751	6.4
350.07632	1.8
351.08554	4.9
352.09299	2.7
353.10175	17.1
354.10867	5.3
355.11740	50.1
356.12311	2.9
364.09583	2.4
365.10153	8.5
366.10892	15.9
367.07462	1.5
367.11771	29.0
368.12076	1.7
369.13406	11.2
379.11749	25.9
380.11948	2.9
382.10211	6.5
397.12796	70.2
398.13242	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1284
Annotation	Cilinaphthalide A
Peak:m/z	Relative Intensity
51.96748	1.3
66.21739	1.4
68.99800	2.3
69.15421	9.3
75.04470	1.8
87.04484	1.4
91.05486	1.8
91.23117	1.2
98.22583	2.3
98.87962	1.2
99.04456	33.9
108.27767	1.1
115.05489	1.4
117.07750	1.2
119.04948	5.9
119.08569	1.6
127.03915	16.4
132.05739	9.8
143.04985	1.1
147.08041	4.5
153.07152	1.3
160.05278	1.5
165.07053	1.6
175.07562	1.4
178.06274	1.6
178.07718	1.6
179.08524	1.5
179.10596	3.0
181.06465	1.4
193.08589	1.3
194.07301	1.3
194.68948	1.2
195.04552	1.1
195.07990	1.9
197.05957	2.2
205.06378	2.0
207.04460	2.3
207.08200	1.3
207.10168	27.2
209.09528	1.5
211.07582	1.4
219.08076	2.7
221.05975	3.8
222.06700	4.4
223.03807	2.7
223.07558	3.4
224.08360	1.6
225.05399	3.5
225.09090	1.6
226.06177	1.4
233.06059	2.6
234.06952	2.2
235.03963	1.5
235.07518	5.7
236.04779	1.8
237.05501	4.3
237.09065	4.5
238.06210	3.7
239.06990	1.5
240.04207	3.8
242.05753	1.3
247.07523	2.0
248.08295	2.3
249.05458	5.0
249.09041	3.8
250.06293	5.0
250.09837	2.2
251.03389	4.0
251.06975	8.0
252.07764	4.8
253.04982	6.9
253.08609	1.7
254.05672	2.9
255.06557	2.9
262.06317	4.7
263.07089	10.6
264.04300	2.3
264.07809	4.8
265.04941	12.0
265.08398	7.5
266.05707	7.0
266.09122	2.8
267.06519	5.0
267.10101	3.0
268.07150	2.2
269.04520	1.8
269.07886	2.4
275.07083	1.9
276.07788	3.1
277.04965	2.2
277.08569	5.8
278.05688	4.3
278.09348	4.6
279.03546	2.4
279.06534	14.3
279.09781	3.5
280.04092	2.5
280.07300	11.4
281.04477	6.3
281.08020	7.5
282.05231	3.2
282.08466	1.9
283.06091	2.7
283.09509	1.8
291.06689	9.2
292.03928	1.4
292.07220	6.3
293.04453	10.8
293.08057	9.6
294.05200	11.7
294.08868	10.1
295.05972	7.4
295.09647	10.2
296.06775	5.4
297.07629	6.9
297.11032	2.2
298.08279	1.6
299.05258	1.7
304.07199	2.2
305.08221	6.1
306.08780	4.4
307.02628	2.0
307.06006	14.8
307.09625	4.7
308.06735	14.6
308.10138	1.9
309.07541	15.6
309.11105	4.4
310.08069	3.0
311.05588	22.7
311.09088	3.6
312.06079	2.8
312.09607	1.4
313.07056	3.0
320.06982	2.0
321.07510	7.3
321.11063	2.8
322.08353	7.5
323.09134	100.0
324.06393	2.7
324.09796	37.2
325.07065	13.1
325.10703	13.8
326.07870	32.7
327.08496	6.4
333.07370	6.3
335.08975	1.6
337.07040	7.1
337.10736	11.3
338.11380	8.8
339.08566	9.7
339.12292	17.8
340.09433	14.4
341.10089	1.8
347.09088	2.9
348.09799	7.9
349.07028	3.7
349.10748	5.2
351.08566	3.7
352.09421	1.9
353.10162	15.2
354.10782	3.8
355.11774	52.5
356.12067	4.0
364.09479	2.1
365.10117	5.7
366.10886	15.9
366.14841	1.8
367.11777	29.4
369.13391	5.2
370.13214	1.5
379.11761	28.0
382.10428	5.3
397.12793	66.6
398.12943	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1282
Annotation	Cilinaphthalide A
Peak:m/z	Relative Intensity
55.05517	1.7
59.31638	1.4
69.15032	2.2
69.15369	10.9
69.15738	1.4
81.07071	1.5
83.04972	3.5
85.77995	1.2
98.22590	2.6
99.04463	4.7
105.85026	1.3
114.52268	1.3
119.08614	6.4
122.20232	1.3
127.03938	3.3
197.06023	1.4
205.06538	2.2
206.07047	1.8
207.07996	2.1
219.08224	1.3
221.06078	2.0
222.06807	4.8
223.07578	1.5
225.05504	2.7
233.05930	1.8
234.06700	2.0
235.07687	3.4
236.08524	1.4
237.09087	2.8
239.07111	1.4
248.08498	1.6
249.05600	2.8
249.09064	1.9
250.06290	4.1
251.03560	2.2
251.07060	6.4
252.07867	5.0
253.04984	3.4
253.08665	2.0
254.05800	2.1
262.06326	3.9
263.06961	10.0
264.07895	4.8
265.04996	6.0
265.08575	5.0
266.05762	4.6
266.09402	2.7
267.06653	1.7
277.08640	3.9
278.05841	2.7
278.09421	4.9
279.06500	10.0
280.04556	2.1
280.07242	10.1
281.04480	3.6
281.08148	5.5
282.05371	2.7
283.06009	2.0
291.06494	6.3
291.09894	1.9
292.07422	4.1
293.04520	7.3
293.08121	9.1
294.05301	4.8
294.08939	9.5
295.06006	3.8
295.09650	6.1
296.06995	2.7
297.07538	4.9
297.11121	2.7
305.08044	3.2
306.08878	2.6
307.06021	11.8
307.09717	3.7
308.06830	9.1
309.07553	11.7
309.10944	3.2
310.08066	3.0
311.05557	11.2
311.08829	3.0
313.06940	1.7
321.07578	5.1
322.08398	5.1
323.09137	100.0
324.06161	2.9
324.09830	34.3
325.07050	4.1
325.10727	13.0
326.07819	12.6
326.11148	2.0
327.08521	5.3
337.07013	6.8
337.10764	8.9
338.07938	1.4
338.11530	8.7
339.08563	5.5
339.12314	18.3
340.09323	5.0
349.10651	3.0
351.08582	2.0
352.09732	1.9
353.10220	14.4
354.10876	3.3
355.11758	40.1
356.12271	2.6
365.10385	2.2
366.11029	12.7
367.07492	1.8
367.11789	26.7
368.12061	1.8
369.13351	2.2
379.11798	3.5
397.12802	43.5
397.23880	3.3
398.13266	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1283
Annotation	Cilinaphthalide A
Peak:m/z	Relative Intensity
55.01868	1.7
55.05501	3.1
67.05509	2.0
68.99780	1.4
69.02706	11.3
75.04523	1.0
79.05477	1.3
81.07073	1.5
83.04979	5.0
87.87482	1.2
91.05485	3.5
93.07056	1.7
95.08616	2.6
99.04453	25.3
103.05453	1.1
104.06262	1.4
105.07011	1.4
107.00466	1.0
107.08578	1.1
109.10210	1.2
117.06995	1.3
119.04949	4.6
119.08615	3.6
121.06517	1.9
127.03917	10.5
128.06194	1.5
129.06979	1.4
131.08556	1.7
132.05719	11.4
137.09650	1.3
142.07808	1.5
143.08556	2.3
145.10139	3.2
147.08035	6.1
147.11772	1.5
151.04071	1.1
153.06956	1.1
155.08543	1.9
156.09343	1.3
157.10117	2.3
159.11772	1.9
165.07021	2.6
166.07759	1.5
169.10103	1.4
171.08046	1.4
171.11705	2.9
173.09680	1.2
173.13220	1.5
175.07545	2.7
177.05502	1.1
178.06326	1.5
178.07832	2.5
179.08623	1.3
179.10698	2.8
181.06500	1.7
185.05951	1.2
190.07851	1.3
191.08620	2.0
193.10097	1.4
195.04390	1.4
196.12401	1.2
197.06050	3.6
199.07480	1.1
205.06509	3.3
206.07225	1.4
207.04431	1.7
207.08174	3.0
207.10127	24.4
207.11916	2.1
209.05966	2.5
209.09624	1.2
210.10425	1.2
211.07562	1.8
213.05428	2.3
219.08131	3.4
221.05937	2.9
222.06783	3.2
223.03912	3.7
223.07573	3.5
224.08231	1.3
225.05542	6.3
225.09138	1.7
226.06145	1.3
233.05931	1.5
234.06848	1.9
235.07570	5.7
235.09642	1.5
236.04703	1.7
236.08313	3.1
237.05492	4.4
237.09149	5.1
238.06209	2.5
238.09871	1.8
239.06975	2.2
240.04141	3.1
241.05017	1.8
241.08580	1.7
247.07472	2.1
248.08333	3.8
249.05518	4.5
249.09155	3.6
250.06181	5.9
251.03412	4.2
251.06958	11.2
252.04128	1.7
252.07889	4.3
253.04958	7.0
253.08641	1.9
255.06491	4.1
261.05490	1.9
262.06235	3.9
263.07047	11.3
264.04181	2.3
264.07751	5.0
265.05118	10.0
265.08493	11.6
266.05746	6.3
266.09189	2.2
267.06525	6.0
267.10065	1.7
268.07297	1.1
269.04608	1.5
269.08051	2.1
275.07047	2.4
276.07837	1.6
277.05179	2.3
277.08627	6.7
278.05817	3.5
278.09421	4.7
279.06512	14.2
279.09821	2.7
280.07245	11.2
281.04449	8.9
281.08069	6.0
282.05377	2.2
282.08652	2.0
283.06021	3.4
283.09436	1.5
289.08652	1.1
290.05640	3.0
291.06543	12.4
291.09753	2.1
292.04147	1.5
292.07205	7.3
293.04468	9.5
293.08057	11.1
294.05240	7.1
294.08850	8.6
295.05954	6.2
295.09631	9.6
296.03506	1.3
296.06763	5.3
296.09888	1.4
297.07556	6.5
297.11246	3.8
299.05621	2.5
303.06296	1.2
304.07391	2.7
305.08017	7.3
306.05457	1.7
306.08774	4.5
307.05991	12.7
307.09616	4.2
308.06790	13.2
308.10190	2.4
309.04205	2.2
309.07553	13.3
309.11243	3.3
310.08249	3.7
311.05502	36.2
311.08966	2.3
312.05997	4.2
313.07083	1.8
313.10483	1.3
317.07965	2.1
318.05383	1.4
319.06131	1.6
319.09567	3.3
320.06766	1.9
321.07559	5.9
321.11322	3.0
322.08304	9.2
323.09116	100.0
324.06332	1.7
324.09796	32.0
325.07034	11.9
325.10703	16.1
326.07816	48.8
327.08429	7.5
327.11746	1.4
333.07681	5.5
335.09036	2.5
336.09787	1.7
337.06982	8.3
337.10721	11.5
338.07715	3.0
338.11484	9.5
339.08588	10.9
339.12323	18.3
340.09329	16.4
340.12897	2.1
347.09143	2.5
348.09946	11.4
349.06958	3.3
349.10709	6.0
351.08493	5.7
352.09238	2.7
353.10211	12.6
354.10980	4.3
355.11737	44.6
356.12051	4.5
364.09387	3.9
365.10004	7.5
366.10980	15.2
367.11804	29.2
368.12173	3.5
369.13510	6.2
379.11731	35.4
380.12021	4.1
382.10461	4.9
397.12820	67.0
397.25180	5.2
398.13040	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1283
Annotation	Cilinaphthalide A
Peak:m/z	Relative Intensity
54.81485	1.7
57.67904	1.9
68.99799	4.4
69.03458	2.8
69.20907	13.4
75.04498	2.8
81.07085	2.7
88.91626	2.0
91.05491	3.3
99.04459	65.4
100.04772	3.0
109.06555	2.6
119.04974	3.5
119.08588	2.9
119.82928	2.0
127.03916	23.3
131.57185	1.9
132.05728	10.1
147.08080	5.1
152.06296	2.2
165.06972	2.3
169.10156	2.7
171.08005	4.4
177.05504	2.9
178.06226	2.1
179.08505	2.3
179.10664	3.9
184.08830	8.4
185.09631	3.5
193.08710	2.6
196.05370	2.2
205.06570	2.9
206.07271	2.7
207.08235	2.4
207.10106	27.6
207.11882	1.9
208.08908	3.0
209.09528	2.1
219.08105	3.5
221.06075	3.7
221.09688	3.4
222.06763	3.9
223.03966	3.7
223.07469	3.5
223.11276	2.1
225.05481	3.7
225.09000	2.6
226.06215	2.5
233.05988	2.1
234.06738	2.1
235.07545	5.7
236.08128	4.0
237.05505	7.3
237.09160	8.6
238.06212	6.1
239.06891	2.7
247.07553	3.6
248.08330	2.6
249.05458	4.9
249.09230	3.5
250.06279	6.1
251.03481	5.8
251.07111	12.3
252.04015	3.1
252.07794	4.0
253.05023	7.5
253.08636	3.5
254.05638	2.5
257.78558	2.0
262.06216	4.3
263.06970	10.6
264.04236	2.7
264.07901	5.0
265.05118	14.8
265.08466	11.9
266.05637	9.7
266.09457	3.3
267.06519	7.6
275.07224	3.2
277.05096	4.6
277.08475	4.9
278.05789	4.1
278.09265	3.1
279.03903	2.4
279.06537	15.4
279.09677	3.3
280.07260	11.6
281.04605	5.3
281.08109	9.0
283.06024	2.7
289.05322	2.1
291.06497	10.9
291.09680	2.4
292.07227	9.9
293.04459	12.0
293.08069	13.8
293.15332	3.8
294.05295	11.9
294.08878	11.7
295.06036	7.9
295.09683	15.4
296.03333	2.2
296.06750	6.2
297.07501	5.7
297.10974	3.7
299.05533	2.1
305.08170	7.8
306.08917	3.7
307.06021	15.8
307.09363	4.4
307.13065	2.3
308.06787	16.6
309.07666	12.9
309.10776	3.1
310.04947	2.1
310.08157	3.5
311.05551	27.3
311.08899	3.4
312.06143	4.0
313.07019	4.4
313.85745	1.9
321.07709	8.1
322.08307	8.8
323.05325	4.8
323.09119	100.0
324.06189	3.5
324.09766	30.3
325.07053	18.3
325.10693	14.5
326.04080	3.2
326.07834	31.1
327.08521	8.3
327.12125	2.8
333.07642	9.5
335.09198	3.3
337.07480	12.0
337.10114	12.1
338.11514	7.0
339.08954	14.0
339.12326	12.3
340.09271	16.3
347.09152	3.4
348.09964	15.5
349.06732	3.0
349.10608	8.1
351.08731	4.9
352.09470	2.5
353.10297	15.8
354.10840	7.2
355.11765	53.0
356.12320	3.6
364.09552	2.7
365.10199	9.5
366.10938	17.4
367.11765	24.9
369.13315	7.5
379.11679	27.4
379.15973	3.5
382.10452	12.1
397.12759	56.6
397.16742	24.8
397.27197	2.8
398.13193	6.8
398.17630	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1283
Annotation	Cilinaphthalide A
Peak:m/z	Relative Intensity
55.01846	0.9
55.05479	1.0
57.95063	0.7
67.05471	1.0
68.99740	0.7
69.03424	1.1
69.21992	2.3
69.22393	3.5
71.63165	0.7
79.05460	1.3
81.07005	2.1
81.83677	0.7
83.04956	1.7
90.80785	0.7
91.05479	5.3
93.07014	1.7
94.06084	0.7
95.08552	2.7
97.06469	0.8
99.04452	19.9
104.06214	1.3
105.07003	1.5
107.08498	1.0
109.06483	1.3
112.32381	0.8
115.05415	1.3
117.06995	1.6
119.04943	3.4
119.08524	2.9
121.06454	1.7
121.10136	1.1
127.01208	1.5
127.03924	7.5
128.01552	0.9
129.87413	0.7
131.08571	1.1
132.05724	6.9
133.10117	0.8
145.06438	0.9
145.10063	1.3
145.26900	0.7
147.08037	3.5
155.08430	0.9
157.10146	0.7
159.11630	1.5
163.03899	0.9
165.05617	0.8
165.06949	2.4
165.12704	1.2
166.07668	1.0
169.06134	0.6
175.07478	2.2
177.05434	2.0
177.06886	0.9
178.06139	0.8
178.07652	1.1
179.08469	1.4
179.10675	2.4
181.06389	1.1
181.09978	1.0
193.06467	0.8
193.08525	1.1
194.07217	1.4
195.07999	1.6
196.08647	0.9
197.05821	1.8
197.13152	0.7
202.07867	0.8
205.06566	1.4
206.07301	0.9
207.04347	1.2
207.08157	2.1
207.10153	18.8
208.08720	1.0
208.10515	1.2
209.05962	2.3
209.09605	2.0
211.07460	1.8
212.04712	1.0
219.07985	2.2
221.05968	2.4
222.06709	3.5
223.03888	1.8
223.07513	3.1
225.05505	5.2
226.06084	1.0
227.06969	1.2
233.05890	1.2
234.06763	1.7
235.07501	4.7
236.04593	1.1
236.08235	3.2
237.05438	4.1
237.09097	5.3
238.06279	2.4
238.09612	1.0
239.06949	3.1
240.04160	2.4
240.07695	1.1
241.04910	1.7
241.08472	1.1
247.07474	2.6
248.08278	2.0
249.05511	4.4
249.09094	4.1
250.06236	5.1
250.09840	0.7
251.03464	3.9
251.06985	9.6
252.04170	1.8
252.07791	4.3
253.04921	3.3
253.08595	2.6
254.05624	1.9
255.06543	2.1
261.05414	1.3
262.06192	3.1
263.07013	9.6
264.04169	1.9
264.07761	5.0
265.04959	9.7
265.08557	13.1
266.05725	5.6
266.09256	3.1
267.06470	5.6
267.10049	2.6
268.03659	1.4
268.07190	1.2
269.08179	1.9
275.06937	2.0
276.07834	2.0
277.05295	1.5
277.08597	4.3
278.06046	4.3
278.08917	4.4
279.03638	0.7
279.06488	13.1
279.10089	4.3
280.03976	1.7
280.07239	9.9
280.10458	1.7
281.04465	5.3
281.08029	6.7
282.05151	2.3
282.08624	1.6
283.06012	2.3
283.09314	1.0
290.05505	1.2
291.06470	9.0
291.09967	1.8
292.07199	7.2
293.04440	7.0
293.08044	12.3
294.05139	8.2
294.08783	12.0
295.06009	5.7
295.09586	7.9
296.06754	2.9
296.10019	1.6
297.07510	6.7
297.11066	1.8
298.08282	1.4
299.05386	2.0
304.07275	1.0
305.04684	1.2
305.08029	6.2
306.05222	1.7
306.08759	4.0
307.05966	11.9
307.09631	11.3
308.03253	1.6
308.06827	20.1
308.10287	3.4
309.03970	1.7
309.07498	15.0
309.11191	5.0
310.04623	1.4
310.08133	2.5
310.11542	0.8
311.05542	21.9
311.09106	2.8
311.12625	1.4
312.05872	2.5
312.09851	2.0
313.07077	2.0
319.05984	1.1
319.09549	1.6
320.06839	1.8
321.07602	7.2
321.11099	1.3
322.08310	11.1
323.09119	100.0
324.06238	3.4
324.09756	28.5
325.07001	8.9
325.10666	9.4
326.07852	26.4
326.11279	1.3
327.08508	4.7
327.11786	0.9
332.06573	0.8
333.07516	4.6
334.04504	0.9
334.08289	2.1
335.09265	1.6
336.06189	3.6
336.09949	2.4
337.06946	5.9
337.10706	14.9
338.11447	37.4
339.08539	12.5
339.12234	16.8
340.09329	11.1
340.12863	1.4
341.09976	1.6
347.09070	1.8
348.09909	5.4
349.06985	2.8
349.10672	5.1
350.07855	3.2
351.08594	9.5
352.09128	2.0
353.10144	11.2
353.14203	1.0
354.10831	5.9
355.11746	33.3
356.12137	2.5
364.09564	3.0
365.10196	8.3
366.10977	17.1
367.08038	2.5
367.11856	18.8
368.12158	2.0
369.13297	11.8
370.13571	1.3
379.11795	21.2
380.12161	1.8
382.10535	5.2
383.10867	1.0
397.12820	60.3
398.13058	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1283
Annotation	Cilinaphthalide A
Peak:m/z	Relative Intensity
57.07050	0.7
59.08658	0.6
66.61964	0.7
67.05485	0.7
69.07074	0.9
70.20978	3.0
81.07055	0.8
85.86002	0.7
91.05463	3.1
93.07006	1.0
95.04955	0.7
95.08615	1.0
95.37366	0.7
99.04427	1.4
100.58144	0.6
105.07021	1.5
107.08544	1.0
117.06988	1.1
119.04903	0.8
119.08559	1.5
121.10184	1.4
145.10104	1.5
152.58751	0.7
154.95045	0.7
161.09792	0.7
161.13287	0.7
165.07011	1.5
172.70403	0.7
179.08583	1.0
181.06453	1.3
181.09911	1.0
207.08028	1.3
207.09966	1.0
209.06081	0.8
209.29073	0.7
212.04564	0.7
219.08070	1.5
221.05949	2.0
222.06770	0.9
223.07471	2.1
233.05977	1.3
234.06560	1.5
235.07565	2.7
236.08293	1.9
237.05519	2.3
237.09013	1.5
238.06271	1.3
239.06970	1.9
247.07527	0.9
248.04614	0.9
248.08394	1.0
249.05388	2.0
250.06305	2.7
251.06992	5.0
252.04099	1.2
252.07780	1.6
253.08600	1.5
257.04257	0.9
261.05661	0.8
262.06299	1.4
263.06961	3.9
264.03952	0.9
264.07800	4.1
265.04996	4.8
265.08475	5.2
266.05798	2.2
266.09299	1.6
267.06525	2.7
267.10043	1.0
268.07376	1.5
275.06995	1.1
275.29590	0.7
276.07761	1.2
277.05066	1.6
277.08600	2.0
278.05737	3.4
278.09061	0.9
279.06506	9.9
279.09875	1.6
280.07080	3.7
281.04437	1.9
281.08066	3.2
282.05365	1.0
289.05139	1.1
290.05725	1.5
291.03445	0.7
291.06439	3.3
292.07379	4.9
293.04501	5.8
293.08051	7.7
294.05179	6.3
294.08737	4.2
295.06000	5.0
295.09506	2.8
296.06796	3.4
296.10522	1.0
297.07703	1.0
303.06497	1.2
305.04700	1.1
305.08118	3.0
306.05096	2.4
306.08765	2.0
307.05997	7.5
307.09625	2.5
308.06750	8.9
309.03925	7.0
309.07498	6.0
309.10995	1.4
310.08221	1.2
311.05664	1.7
311.08984	1.7
313.07065	2.2
319.05927	3.7
320.03137	0.9
320.06744	3.1
321.03885	9.4
321.07587	8.7
321.11087	1.4
322.04590	1.1
322.08185	6.3
323.05447	4.0
323.09155	10.5
324.06219	8.1
324.09839	3.0
325.06992	1.7
325.10385	1.4
326.07724	1.4
332.06750	1.4
333.07462	4.0
334.04779	1.3
334.08356	1.6
335.05936	5.0
335.08719	4.8
336.06265	100.0
337.06781	13.8
337.10724	4.4
338.07541	2.5
338.11487	2.4
339.04913	3.3
339.08621	5.9
339.12256	2.4
340.09564	1.5
348.09845	2.8
349.07001	1.7
349.10690	1.0
350.07855	9.6
351.08609	95.6
352.05600	0.8
352.09140	10.7
353.10339	1.9
355.11722	2.9
365.06808	1.5
365.10211	29.4
366.10950	98.7
367.07956	12.0
367.11655	16.1
382.10452	22.5
382.15143	1.6
383.10889	2.5
397.12811	69.3
397.29263	3.7
398.13132	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1283
Annotation	Blanchaquinone
Peak:m/z	Relative Intensity
52.96803	0.8
52.99165	0.7
67.05501	2.1
68.99781	2.2
69.03458	0.8
69.07056	0.9
69.42725	5.7
71.01241	0.7
75.04491	1.6
79.05499	1.6
81.07043	1.4
83.04985	1.4
91.05474	2.0
93.07025	1.4
95.08578	2.3
97.06526	0.8
99.04453	38.3
105.07038	2.3
107.08636	1.0
109.10206	0.9
115.05453	1.0
117.07027	1.0
119.04927	1.9
119.08603	1.9
121.06530	1.6
121.10170	1.2
127.03914	15.2
132.05693	4.4
143.08566	1.3
145.10136	0.7
147.08034	2.5
147.11702	1.2
152.06177	1.1
163.03877	1.4
165.06961	1.1
169.06517	1.4
171.08234	0.9
175.03944	0.8
175.07588	1.2
177.96704	0.9
178.06137	1.0
179.08675	0.8
179.10670	1.3
181.06465	1.1
181.10115	1.0
183.11702	0.9
193.06580	1.0
193.08594	1.8
195.04419	2.4
195.08098	1.1
197.05989	4.0
197.51752	0.8
201.05505	0.7
207.04309	1.9
207.08316	1.4
207.10144	8.7
208.05341	0.9
209.05981	3.7
209.09752	1.2
211.07555	1.5
212.04646	1.9
213.05417	1.3
213.12729	0.8
219.08125	1.4
221.06062	1.3
222.06735	2.4
223.03853	8.2
223.07541	1.8
225.05460	10.3
226.06241	1.2
227.06964	1.2
231.08049	1.0
232.08809	1.3
233.05954	1.1
233.09735	0.9
235.03951	1.7
235.07541	1.9
235.14749	0.9
235.16943	1.2
237.05501	5.4
237.09137	2.3
238.06131	1.3
239.03432	2.2
239.07025	1.4
240.04189	6.9
241.04959	4.2
247.07471	1.5
248.08452	0.8
249.05573	2.9
249.08954	1.7
250.06252	1.6
250.09579	0.9
251.03360	4.5
251.06865	4.1
252.04242	3.2
252.07805	2.3
253.04958	11.5
254.05492	1.1
255.06593	5.5
262.06232	2.0
263.07025	4.8
264.04193	2.3
264.07742	1.6
265.04947	12.0
265.08582	5.9
266.05579	2.8
267.03021	1.6
267.06589	2.1
267.09872	0.9
268.03607	1.3
269.04501	1.4
276.07819	1.0
277.08585	2.1
278.05774	1.7
278.09271	1.4
279.06506	5.7
279.09592	1.4
280.04050	1.7
280.07300	6.3
281.04459	11.6
281.08035	2.5
282.05209	4.9
282.08246	1.1
283.06049	5.2
283.09256	1.1
283.14832	0.9
284.06580	1.3
289.08276	1.0
290.05878	1.0
290.09351	1.2
291.06503	2.9
291.09903	1.8
292.04001	0.9
292.07346	2.4
293.04477	6.4
293.08038	6.4
294.05200	7.8
294.08887	4.6
295.06021	4.7
295.09610	7.1
296.06723	3.1
296.10214	1.9
297.04266	1.4
297.07565	6.2
298.08368	2.3
299.05615	2.2
303.06546	1.3
304.07483	1.4
305.08090	5.7
306.08725	4.4
307.05957	3.6
307.09415	1.9
308.06784	8.3
309.07477	5.2
309.11093	1.4
310.04590	2.3
310.08237	1.4
311.05481	63.5
311.08615	2.5
312.05969	5.4
312.09412	1.1
313.07077	1.9
319.06271	1.3
319.09689	2.7
321.07553	3.8
321.11145	1.7
322.08377	4.5
323.05597	1.0
323.09094	25.7
324.06201	1.9
324.09659	8.6
325.07065	7.8
325.10715	4.2
326.07831	100.0
327.08350	8.3
327.11902	1.5
333.07556	11.0
334.08194	1.6
335.05328	1.2
335.08994	1.5
336.10040	2.2
337.07043	3.0
337.10675	6.1
338.11423	2.0
339.08612	5.1
339.12357	3.3
340.09436	6.2
347.09180	2.3
348.09872	18.6
349.06915	4.9
349.10651	9.0
350.07541	1.7
351.08493	4.4
352.09509	0.9
353.10287	4.1
354.10791	2.4
355.11728	24.7
356.12082	1.4
364.09415	2.8
365.10114	4.2
366.11005	6.7
367.11850	4.4
369.13263	5.3
379.11743	65.6
380.12064	6.7
382.10364	1.6
397.12793	33.6
397.21494	3.3
398.13159	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1467
Annotation	KADETHRIN
Peak:m/z	Relative Intensity
55.32952	0.5
60.79714	0.5
70.83184	1.0
70.83522	0.5
75.81178	0.5
84.06947	0.5
85.02894	0.9
91.05490	0.6
96.79223	0.6
96.84346	0.5
100.11245	1.4
107.08614	1.1
108.08871	0.7
109.10132	0.9
123.04419	0.9
135.08014	0.9
136.08331	0.9
163.07562	0.5
165.09052	0.8
183.10110	0.8
200.10040	0.7
201.11269	1.5
235.09425	1.4
264.38696	0.5
397.14667	100.0
397.31735	2.3
398.15018	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11848	1.1
51.76870	1.2
63.29636	1.1
67.05514	1.6
69.36096	6.7
69.36513	1.9
70.78112	1.4
79.05518	1.4
81.07062	2.6
82.89634	1.0
83.04986	1.8
91.05510	1.5
93.07035	1.9
99.04436	1.5
105.07054	2.4
107.08610	1.3
117.19903	1.1
119.08620	1.3
131.08585	1.5
133.10162	1.6
171.04266	2.4
171.11612	1.5
186.06526	20.0
186.08044	1.5
187.07072	1.9
197.13383	1.1
221.13312	1.4
235.07611	1.5
237.09241	1.4
251.07198	2.0
265.05215	1.1
265.08545	1.5
280.07568	1.8
281.07806	1.5
291.06622	1.4
294.08728	1.3
295.05988	1.7
295.09656	1.6
296.06723	1.6
305.08084	1.6
306.09024	1.4
307.06247	1.5
308.06891	1.7
308.10358	1.5
311.05817	1.3
313.07312	1.1
323.09100	9.9
324.09860	3.3
325.07446	1.3
325.10907	2.6
326.07971	3.8
337.07169	2.4
339.08618	1.8
339.12381	2.0
341.19440	1.6
348.10034	1.3
351.08716	1.5
353.10229	4.0
355.11652	6.0
355.20615	1.8
366.10895	2.7
366.15021	2.3
367.11813	2.6
379.11801	2.8
397.16373	100.0
397.24518	15.3
398.16898	10.1
398.25488	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.1
55.01869	1.7
55.05504	2.7
56.26122	0.9
57.03431	2.0
61.02914	1.6
62.32280	0.8
67.05501	1.2
69.03423	3.6
70.59612	1.7
79.05493	4.0
81.03410	1.8
81.07063	2.3
83.04979	1.1
85.02906	9.4
89.03933	0.9
91.05479	13.9
92.33054	0.9
93.07031	2.0
94.04182	3.0
95.04957	2.0
95.08595	1.5
97.02900	3.5
103.05475	3.4
105.07018	4.9
107.04963	3.7
107.08614	2.2
109.02843	1.0
109.06499	2.7
109.10147	1.0
115.05430	2.3
117.07023	2.6
119.04941	8.4
119.08546	2.4
119.16001	0.8
121.06509	1.8
121.10199	1.4
122.03647	7.1
123.08050	0.9
127.03891	1.8
128.06201	5.7
129.07033	6.4
131.04918	3.1
131.08618	4.2
133.02898	1.3
133.06461	2.1
133.10088	2.5
135.04507	1.0
135.08052	1.6
136.05194	1.1
137.05975	100.0
138.06329	3.6
141.06995	3.6
142.07826	4.7
143.08551	3.6
144.05678	3.5
145.04980	1.3
145.06483	2.9
145.10115	2.1
146.03629	1.6
146.07304	1.4
147.04399	3.3
147.08070	2.2
149.05980	5.8
149.09663	1.6
151.03911	1.6
151.07541	13.0
152.06279	1.1
153.06978	2.1
154.07751	2.9
155.08551	6.8
157.06502	3.3
157.10152	2.7
158.00731	0.8
158.07257	2.4
159.08086	6.2
159.11710	1.0
161.05972	15.2
161.09648	6.7
162.04170	1.0
163.07545	4.2
165.07001	3.9
166.07742	1.4
167.07230	1.0
167.08557	2.9
168.05763	1.4
169.06476	3.7
170.07300	2.7
171.08047	5.1
172.05225	2.0
172.08879	5.4
173.05943	1.2
173.09599	2.0
174.06876	1.2
175.07564	5.5
175.11240	2.1
175.14835	0.9
179.06981	0.9
179.08490	1.0
179.10701	2.5
181.06419	2.1
182.07275	7.5
183.04390	1.3
183.08022	5.9
184.05237	2.6
184.08887	4.2
185.05980	2.2
185.09648	9.6
186.06793	3.0
187.07553	6.9
187.11188	4.0
189.09102	2.6
189.12746	1.9
191.07042	6.8
194.07236	3.2
195.08099	2.9
196.05254	1.1
197.05968	2.2
197.09625	11.0
198.06770	20.1
199.07506	12.5
199.11119	1.6
199.14891	1.1
200.08206	3.0
201.09102	5.4
202.07765	2.0
203.08669	1.1
203.10655	1.7
205.06606	1.0
205.08566	2.3
207.07993	1.2
209.06036	1.2
209.09665	1.3
210.06732	4.0
211.07483	5.4
212.08330	4.9
213.09106	27.7
214.09486	2.1
215.08719	1.6
215.10690	6.8
217.08560	3.7
217.10336	2.0
217.15886	14.9
219.08257	1.0
220.08817	1.1
221.06201	1.3
224.08258	2.0
225.09088	14.5
226.09616	1.1
227.10643	1.9
228.07680	1.2
229.08347	1.6
229.10294	1.9
231.08080	2.8
231.10107	2.0
232.08878	1.6
233.09651	1.9
234.06647	1.3
235.07501	1.8
235.16945	7.3
237.09148	1.5
240.07837	1.3
242.09421	1.7
243.08116	1.8
243.10170	20.6
244.08556	1.4
245.09631	4.6
245.11583	2.1
246.10435	1.5
247.07579	2.6
247.11119	1.3
249.09094	2.3
255.07996	1.2
255.10205	8.4
257.09586	3.4
258.06686	1.2
258.10443	1.1
259.07535	2.3
259.11041	2.0
260.08313	2.5
261.09067	6.2
262.09906	3.6
263.06961	1.2
263.10666	2.7
264.07803	3.1
265.08545	3.4
271.07486	3.6
273.11249	72.2
274.12036	4.6
275.07172	1.5
275.10568	4.1
276.07852	4.7
276.10632	1.0
277.08582	7.2
277.11978	2.1
278.09302	2.8
279.06516	1.5
283.09799	1.3
285.09097	2.7
286.09802	2.2
287.07245	1.9
287.10513	2.1
288.07779	3.1
288.11099	1.2
289.08582	4.9
289.12234	3.1
290.09378	2.0
291.06714	1.9
291.10114	7.4
292.07303	3.2
292.10553	2.0
293.08044	4.9
293.11700	3.1
294.08707	1.2
301.08612	2.4
301.12195	1.4
302.09286	3.6
303.10168	7.2
304.10916	2.4
305.08224	2.0
305.11719	5.2
306.08807	3.1
306.12265	1.7
307.09702	10.5
307.12997	1.9
308.10345	7.6
309.11136	2.2
315.10120	2.6
316.10968	1.3
317.08313	0.9
317.11780	5.8
318.12323	2.5
319.09592	3.2
319.13159	1.5
320.10272	2.8
321.11319	7.4
322.12134	2.1
323.12747	2.4
325.10727	3.2
329.11563	1.2
331.09702	1.8
333.11221	3.8
334.11935	3.0
335.12756	7.8
336.13464	4.5
337.14368	2.5
339.12320	4.1
346.12158	1.4
347.12595	1.5
348.13455	1.7
349.10657	1.5
349.14374	8.7
351.08353	1.2
351.12283	15.0
352.12766	2.5
353.13803	3.2
354.14600	20.6
355.14902	2.0
361.14398	3.5
364.12936	1.3
365.13806	2.1
366.14545	1.6
367.15369	5.9
379.15375	15.5
380.15921	1.7
397.16412	91.7
397.21909	21.2
398.16855	12.9
398.22025	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05462	0.2
58.56174	0.2
69.18004	1.1
72.79043	0.2
75.04407	0.4
78.69785	0.1
83.04912	0.3
87.52733	0.2
93.06976	0.2
95.08550	0.2
95.18044	0.1
98.23349	0.3
99.70635	0.2
105.06963	0.1
107.08594	0.2
125.49947	0.1
174.59862	0.2
178.07756	0.2
179.08441	0.2
181.70351	0.2
189.06966	0.2
190.07710	0.2
191.82651	0.2
202.07744	0.2
203.08453	0.4
204.09196	0.2
205.06393	0.2
205.09996	0.5
207.08009	0.3
208.08777	0.2
209.09618	0.3
217.10011	0.3
218.07213	0.4
218.10695	0.2
219.08075	1.1
220.08688	0.4
221.06059	0.3
221.09572	0.9
222.10242	0.4
223.07463	0.3
224.08076	0.2
230.07065	0.2
231.08037	0.8
232.08827	0.9
233.05931	0.3
233.09605	1.6
234.06641	0.4
234.10272	1.0
235.07500	1.3
235.11034	0.4
236.08153	0.3
237.08997	0.4
237.12628	0.3
239.07050	0.2
242.54311	0.2
243.07954	0.2
244.08714	0.3
245.09592	0.6
246.06616	0.3
246.10281	0.7
247.07538	2.4
247.11040	0.6
248.08298	1.4
249.05388	0.3
249.09091	2.6
249.12698	0.4
250.09848	1.8
251.06905	0.5
251.10451	0.4
252.07570	0.2
253.12173	0.2
259.07410	0.4
260.08124	0.5
261.09091	2.5
262.06485	0.3
262.09872	5.9
263.06989	1.6
263.10526	2.1
264.07858	0.8
264.11371	1.0
265.08548	0.8
265.12122	1.9
266.05865	0.2
266.08887	0.2
267.09653	0.2
273.09039	0.7
274.09836	0.8
275.07205	1.0
275.10596	0.9
276.07626	0.7
276.11346	0.6
277.08533	3.9
277.12140	3.1
278.09375	3.5
278.12680	0.5
279.06717	0.3
279.10019	1.3
279.13260	0.3
280.10770	0.7
281.08035	0.3
281.11612	0.2
282.12363	0.2
288.07840	0.2
289.08542	2.3
290.09338	2.2
291.06461	0.6
291.10025	3.0
291.36801	0.2
292.07300	0.4
292.10880	4.8
293.08069	1.5
293.11618	9.6
294.08701	0.5
294.12042	0.7
295.13242	0.2
303.06696	0.2
303.10086	0.9
304.07132	0.5
304.10852	0.8
305.08005	3.8
305.11670	4.8
306.08713	1.0
306.12253	0.4
307.06262	0.3
307.09598	1.3
307.13223	3.0
308.10336	2.4
308.13971	3.3
309.07974	0.2
309.11160	0.7
309.14417	0.4
318.08716	0.2
319.09567	1.6
320.10406	13.4
321.07770	0.4
321.11121	8.6
322.08231	0.3
322.11734	0.8
323.09262	0.2
323.12717	4.4
324.09650	0.3
324.13184	0.5
333.11130	0.3
334.12030	0.4
335.12735	100.0
336.09869	0.9
336.13242	14.2
337.10703	0.8
337.13834	0.9
339.12180	0.4
350.11447	0.5
351.12244	12.9
352.12540	1.2
365.13797	4.0
366.14584	81.8
367.15060	11.5
382.14291	0.9
397.16473	13.3
398.16846	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
74.96482	1.2
75.04502	1.2
104.52645	1.2
165.09317	1.2
203.08577	1.6
219.08078	2.0
220.08864	1.5
221.09634	3.3
222.10414	1.8
231.07991	2.7
232.08832	2.1
233.09608	4.5
234.06865	1.7
235.07515	6.5
243.08189	1.3
245.09450	1.5
247.07455	6.4
247.11197	1.5
248.08223	2.8
249.05449	1.4
249.09158	9.7
250.09827	3.9
251.07051	1.6
251.10565	1.8
260.08316	1.9
261.09177	6.9
262.09821	11.0
263.07217	6.4
263.10574	6.3
264.07837	3.6
264.11487	2.3
265.08667	3.2
265.12125	5.9
266.09351	2.0
269.11633	1.2
273.09280	1.7
274.09674	1.3
275.07141	2.3
275.10477	3.0
276.08087	1.2
276.11414	2.1
277.08594	10.1
277.12247	6.6
278.09409	15.1
278.12393	2.1
279.06909	1.6
279.10037	4.3
280.10834	1.4
281.11804	4.1
289.08521	2.6
290.09302	5.8
291.06885	2.2
291.10135	8.2
292.07651	1.9
292.10938	10.6
293.08160	3.3
293.11615	25.5
294.08911	2.4
294.12122	2.4
303.10495	2.2
304.10745	2.9
305.08096	8.3
305.11728	20.9
306.08936	4.0
306.12207	3.6
307.06235	1.6
307.09634	3.1
307.13287	13.4
308.10309	3.4
308.14020	10.9
309.08084	1.9
309.11212	7.7
309.14294	2.0
313.07001	2.7
319.09656	2.0
320.10431	10.4
321.07654	1.4
321.11154	27.6
322.11688	4.8
323.12683	6.3
324.13528	3.3
335.12750	59.5
336.09818	2.0
336.13434	28.1
337.10641	6.0
337.14151	3.6
339.15887	9.4
350.11459	1.6
351.12219	11.8
352.12878	4.6
365.13831	3.8
366.14603	58.2
367.15390	100.0
368.15683	13.1
382.14334	2.3
397.12332	1.5
397.16464	41.1
398.16721	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1646
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
51.35762	0.5
53.03938	1.2
54.38854	0.7
55.01847	0.8
55.05489	0.8
57.03429	0.9
61.90516	0.6
62.29039	0.6
65.66508	0.6
66.23042	0.6
67.05495	1.8
69.03415	1.7
69.07037	1.2
69.33139	4.6
72.87907	0.6
79.05480	2.8
81.03407	1.1
81.07054	2.9
82.35666	0.8
85.02898	2.4
89.03896	0.8
91.05476	12.1
93.07039	2.0
94.04186	2.9
95.04953	1.9
95.08609	1.9
97.02872	1.2
97.06516	0.8
103.05457	2.5
105.07028	3.9
107.04962	2.5
107.08601	1.6
109.06537	3.3
109.10147	1.7
111.04405	1.1
115.05449	2.6
117.07013	1.8
119.04935	8.1
119.08560	1.8
121.06518	2.3
121.10157	0.9
122.03637	7.4
123.08035	0.8
127.03901	1.0
128.06224	3.8
129.07018	6.9
131.04916	3.0
131.08536	6.6
133.02896	0.8
133.06482	1.5
133.10146	2.3
135.04414	1.2
135.08044	1.5
137.05974	95.9
138.06294	3.3
141.05980	0.7
141.06978	4.8
142.07791	2.9
143.08592	2.4
144.05698	2.9
145.06459	2.0
145.10222	1.0
146.03593	1.3
146.07234	1.4
147.04385	3.0
147.08011	0.9
147.11723	0.7
149.05998	5.3
149.09576	0.7
150.06796	0.9
151.03941	0.9
151.07544	11.5
152.06157	0.8
153.05618	1.1
153.06979	3.2
154.07816	1.5
155.04904	1.6
155.06015	0.7
155.08566	5.4
156.05652	1.0
157.06445	4.0
157.10155	1.9
158.07259	3.5
159.08041	6.6
160.05200	1.3
161.05965	13.8
161.09579	3.9
161.13353	0.9
163.07550	1.8
165.06941	5.4
166.07777	1.0
167.08563	3.8
168.05687	1.3
169.06488	3.0
170.07237	3.3
171.08028	4.5
172.05151	1.4
172.08847	3.4
173.09628	2.4
174.06728	1.4
174.10381	1.4
175.07591	4.4
175.11110	0.9
181.06396	4.1
182.07262	6.9
183.07996	4.6
184.05174	2.0
184.08830	2.4
185.05980	2.7
185.09619	11.9
186.06711	1.8
187.07542	6.8
187.11171	2.6
188.08075	0.7
189.09114	3.9
189.12715	2.3
191.07007	5.3
194.07237	1.7
195.08083	2.7
197.05962	2.3
197.09622	12.0
198.06755	19.6
198.09761	0.7
199.07513	9.4
199.11159	2.0
200.08354	3.4
201.09090	4.9
202.07780	1.1
203.08673	0.8
203.10699	1.4
205.06512	1.1
205.08478	1.0
209.06168	0.8
209.09645	1.4
210.06770	4.2
211.07500	5.4
212.08299	6.5
213.09090	27.0
214.09566	2.0
215.08708	1.1
215.10609	7.4
217.08565	2.6
217.10313	1.7
217.12199	1.1
217.15944	2.4
218.07233	1.0
219.08131	1.6
221.05927	0.9
223.07373	1.0
224.08344	1.1
225.09085	13.7
226.09792	1.4
227.10704	2.0
228.07710	1.6
229.08328	1.6
229.10141	2.7
230.07249	1.0
231.08034	1.7
231.10106	1.7
232.08823	1.5
233.06326	0.8
233.09595	2.3
234.06874	1.0
235.07677	1.1
235.16940	1.6
237.09300	1.9
240.07715	1.2
241.08463	1.0
242.07166	1.3
242.09396	2.3
243.08052	2.4
243.10170	21.8
244.08727	1.5
245.09605	3.7
245.11835	2.6
246.10370	1.5
247.07521	2.2
247.11162	0.9
248.08282	1.9
249.09082	1.9
255.07794	1.1
255.10155	8.2
257.09628	4.3
258.06839	1.8
258.10239	1.3
259.07562	1.9
260.08356	1.9
261.09094	5.0
262.09793	2.0
263.06982	1.2
263.10767	1.8
264.07736	2.6
265.08636	2.0
269.09515	1.4
271.07559	2.7
272.08243	1.1
273.11234	70.0
274.11996	4.4
275.07388	1.4
275.10657	5.4
276.07843	2.3
276.11331	0.9
277.08643	5.0
277.11954	1.5
278.09378	2.5
279.06604	0.8
279.10126	1.3
281.08026	0.7
283.09622	1.3
285.09113	3.8
286.09811	2.5
287.07083	1.5
287.10620	1.6
288.07806	3.1
289.08578	4.1
289.12164	3.1
290.09341	3.1
291.10162	6.4
291.13443	1.1
292.07288	3.0
292.10828	2.0
293.08075	3.1
293.11792	3.9
294.08871	1.1
295.09695	1.4
299.10513	0.9
301.08630	2.6
301.11920	1.3
302.09320	2.3
303.10104	5.6
304.10886	2.1
305.08047	1.8
305.11743	4.4
306.08777	2.6
306.12207	1.2
307.09598	10.8
307.12982	1.4
308.10303	5.2
309.11157	1.6
315.10031	0.8
316.10889	0.9
317.08554	1.0
317.11673	4.7
318.08823	1.1
318.12292	1.2
319.09628	3.7
319.13208	1.5
320.10373	2.4
321.11157	5.9
322.11813	2.1
323.12744	1.4
325.10699	3.1
329.11523	1.2
331.09653	1.6
333.11127	3.6
334.11899	2.1
335.12762	8.3
336.13437	4.1
337.14285	3.1
339.12427	3.4
346.11777	0.9
347.12857	2.0
348.13406	2.1
349.14264	9.1
351.12228	11.3
351.16095	1.4
352.12854	1.9
353.13864	2.8
354.14584	17.8
355.14828	2.0
361.14258	3.2
364.13086	1.1
365.13739	1.3
366.14737	0.9
367.15375	4.1
379.15405	14.0
380.15582	1.3
397.16446	100.0
398.16760	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1645
Annotation	Predurallone
Peak:m/z	Relative Intensity
55.01862	0.6
67.05489	0.6
70.22580	0.5
79.05499	1.3
81.07063	0.7
85.02914	0.5
86.31900	0.5
91.05497	3.4
93.07076	0.5
94.04185	1.4
95.05007	0.8
98.22562	1.1
103.05475	1.0
105.07030	2.0
107.04964	0.7
107.08608	1.0
109.06516	0.5
115.05441	1.6
117.07005	1.1
119.04922	1.6
119.08576	0.8
121.06541	0.5
122.03649	4.9
128.06227	1.6
129.07019	3.1
131.04929	1.2
131.08569	1.0
132.49207	0.5
133.02847	0.8
133.06493	0.8
133.10080	0.6
137.05972	57.6
138.06316	1.8
141.06982	1.9
142.07768	1.6
143.08565	2.2
144.05711	1.0
145.06503	1.1
145.10120	0.7
146.03630	1.0
147.04382	0.8
149.05988	2.6
151.03859	2.3
151.07553	2.5
152.06195	0.9
153.06978	1.5
155.06039	0.6
155.08504	4.1
157.06479	1.6
157.10124	1.1
158.07246	1.0
159.08102	2.5
161.05959	4.6
161.09604	0.5
162.06802	0.6
163.07509	0.8
165.07057	1.2
167.08551	1.6
169.06425	1.1
170.07286	0.7
171.08009	3.0
172.08667	0.6
173.09625	0.6
174.06720	0.8
175.07431	0.5
177.05479	1.4
179.08505	0.6
181.06517	1.7
182.07303	1.3
183.08017	3.1
184.08855	0.6
185.05890	0.8
185.09648	1.6
186.06664	1.0
187.07530	3.1
188.08173	1.1
189.05415	0.9
189.09131	1.8
189.16356	0.9
191.08586	0.5
194.07283	0.8
195.08083	2.8
197.05951	0.9
197.09686	1.1
198.06784	1.3
199.07533	2.4
200.08272	2.3
201.09094	3.3
202.07741	2.6
202.09686	0.6
203.08546	1.6
203.10686	2.1
204.09341	0.7
210.06673	0.6
211.07489	1.5
212.08298	0.9
213.09068	4.3
215.08549	2.8
215.10669	2.9
216.09351	1.7
217.10216	3.9
217.15858	0.7
218.07243	0.6
218.10811	0.5
219.08102	1.2
225.09068	2.5
226.07838	0.9
227.08612	0.9
227.10703	1.2
228.09363	1.3
229.10170	5.0
231.08041	2.4
231.10184	3.9
232.08772	1.8
233.09636	2.3
234.10411	0.6
235.07491	0.8
235.17049	2.6
237.09123	1.0
239.08641	0.8
240.09398	0.7
241.10146	1.8
242.07327	1.0
243.08028	1.9
243.10225	1.5
244.08842	1.3
245.09619	5.6
245.11830	1.2
246.10306	2.2
247.07556	1.8
247.11134	1.5
248.08257	0.9
249.09076	1.3
255.08012	0.9
256.09012	1.0
257.09555	4.6
258.10278	2.7
259.07584	1.4
259.11169	2.3
260.08191	1.5
261.09048	3.8
261.11404	1.0
262.09821	1.8
263.10654	1.7
264.07684	0.5
269.09656	2.0
271.07602	1.7
271.10809	0.5
272.08215	0.5
273.08960	3.5
273.11551	0.8
274.09702	3.2
275.07297	0.9
275.10632	3.5
276.08096	0.5
276.11258	0.8
277.08847	0.9
277.12262	5.2
278.09457	0.6
279.10352	0.7
279.13901	1.3
283.09982	0.6
285.09067	5.4
286.09702	3.8
287.07312	0.6
287.10626	1.6
288.07861	0.5
288.11343	0.5
289.08661	1.5
289.12231	3.2
290.09363	1.8
291.10104	2.3
291.13895	1.2
292.10797	1.0
293.11728	1.4
295.13239	0.6
297.08981	1.0
298.09692	0.7
301.08524	1.4
301.11890	0.8
302.09396	2.8
303.10086	3.6
304.10831	2.1
305.08038	1.2
305.11755	5.1
306.09058	1.1
306.12344	0.6
307.09583	1.3
307.13287	1.9
308.10449	1.0
309.11240	0.9
309.15137	0.7
314.09320	1.3
315.09985	1.6
316.10925	0.8
317.11542	3.6
318.08899	1.0
318.12354	1.7
319.09586	2.5
319.13235	1.9
320.10300	1.5
320.13806	0.7
321.11115	3.0
321.14777	1.1
322.11844	0.8
323.12671	1.1
324.13751	0.5
329.11636	2.2
330.12524	0.9
331.09573	1.5
332.10507	0.9
333.11179	2.8
334.11957	1.5
335.12775	3.6
336.13492	1.3
337.14172	2.1
339.16000	1.1
346.11996	1.4
347.12756	3.3
348.13376	1.3
349.14346	5.4
350.14911	0.7
351.12219	1.4
351.16046	1.1
353.13589	0.5
354.14404	0.7
361.14392	3.8
366.14664	1.1
367.15387	7.2
368.15869	0.6
379.15393	7.7
380.15845	1.1
397.16443	100.0
398.16794	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2221
Annotation	Tinocordiside
Peak:m/z	Relative Intensity
53.03945	3.6
53.60929	1.8
55.05509	6.6
57.03465	2.3
61.02932	4.3
67.05506	4.6
69.03420	26.2
69.07066	2.5
71.31320	2.5
71.31707	3.0
73.02914	3.2
79.05500	9.8
81.03424	8.2
81.07054	12.6
83.04960	2.9
83.08597	4.4
85.02901	29.0
91.05492	13.6
93.07049	7.3
94.04171	2.2
95.04971	3.3
95.08613	8.9
97.02914	10.8
97.06520	2.7
99.04440	5.1
100.11253	10.1
103.05521	2.9
105.07034	16.7
107.08582	15.3
109.02889	4.6
109.06521	4.5
109.10185	6.3
111.04440	2.1
111.08073	11.5
113.06016	3.6
117.06998	3.3
119.08572	11.7
121.06499	6.8
121.10139	4.6
122.03640	2.5
123.08086	4.8
125.09635	8.2
127.03928	7.9
128.10710	2.6
129.06944	2.5
131.08580	7.4
132.55592	2.3
133.10106	18.5
135.08069	7.0
135.11700	11.2
137.05965	31.8
143.08530	4.4
145.04909	3.7
145.10094	8.7
147.08081	4.4
147.11708	9.1
149.09615	6.9
149.13278	4.2
151.07567	4.2
151.11180	6.6
155.08571	3.6
157.10161	7.8
159.08083	2.6
159.11702	8.2
161.05954	4.7
161.09599	10.7
161.13362	2.6
163.11214	2.4
166.11316	2.2
173.13235	3.1
175.07765	2.6
175.11151	6.7
177.12708	17.4
179.10655	23.4
182.15393	4.1
187.14867	2.9
189.16425	6.1
199.07458	2.5
199.14856	7.0
199.99643	2.2
202.13507	3.7
204.15048	2.5
209.16522	2.4
210.14885	3.0
213.09058	5.3
217.15860	45.0
218.16260	2.5
219.17404	13.1
235.16917	100.0
236.17282	4.7
243.10208	4.4
272.16837	2.4
272.66260	2.3
273.11240	6.8
275.16425	5.1
277.08789	2.8
301.08359	2.5
307.09766	2.7
321.11243	5.3
333.11288	3.3
335.12924	2.9
347.12906	2.3
349.14218	2.6
354.14450	3.5
361.14410	2.9
369.42465	2.5
379.15302	11.0
379.21500	2.7
397.12320	4.8
397.16568	24.5
397.22192	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27913	1.4
55.05505	2.1
57.03439	1.5
58.12346	1.3
59.04996	1.7
67.05466	2.2
69.03410	3.2
69.04137	12.0
69.07066	2.4
71.04975	1.5
78.18511	1.4
79.05490	5.3
81.03436	1.9
81.07068	8.5
85.02909	6.2
91.05464	13.3
93.07025	5.6
94.04195	2.3
95.04931	3.7
95.08566	3.6
97.02913	2.0
97.06524	2.3
103.05481	1.8
103.54535	1.3
105.07040	17.5
107.04966	2.9
107.08584	4.9
109.06516	4.1
109.10148	3.7
111.04453	1.8
111.19212	1.3
115.05434	1.9
117.07002	2.2
119.04958	5.2
119.08594	13.5
121.06551	3.0
121.10163	3.3
122.03661	8.6
125.05966	2.0
128.06227	3.8
129.06978	5.5
131.04901	2.5
131.08563	7.1
133.10118	5.5
135.04543	1.5
137.05977	100.0
138.06279	3.3
141.06992	4.0
142.07765	4.5
143.08546	5.8
144.05702	2.1
145.06485	3.2
145.10098	6.2
147.04456	3.1
147.08020	1.9
147.11705	5.1
149.05965	4.7
149.09668	3.1
151.03905	3.7
151.07501	10.8
152.06227	2.7
153.07025	4.1
154.07819	1.8
155.08551	5.4
157.06413	2.5
157.10161	11.7
158.07271	3.1
159.08044	4.9
159.11679	8.1
161.05977	11.4
161.09608	4.3
161.13277	1.9
163.07597	1.7
165.06998	4.9
167.08536	3.3
167.10654	1.6
168.05765	2.5
169.06468	2.3
169.10037	1.7
170.07254	2.0
171.08008	3.7
171.11720	3.0
172.08818	2.9
173.09602	2.8
174.06786	2.0
175.07530	3.6
175.14845	2.8
177.12677	1.7
181.06488	2.6
182.07266	5.3
183.08038	4.1
184.08835	3.7
185.06050	3.1
185.09633	7.3
186.06873	1.6
187.07542	6.3
187.11188	1.7
187.14828	3.7
189.09161	1.9
189.16393	3.1
191.06964	3.0
194.07294	2.7
195.08043	5.1
196.08832	1.6
197.05974	2.8
197.09573	6.2
198.06712	9.1
199.07518	9.6
199.14828	4.7
200.08340	2.6
201.09079	3.8
202.07770	3.3
205.06680	1.7
210.06735	4.3
211.07504	2.9
212.08342	4.4
213.09120	18.6
214.09549	2.1
215.06961	2.3
215.08818	1.8
215.10641	6.1
217.10246	1.9
217.15854	8.3
218.07349	1.5
225.09050	7.3
227.10574	2.7
229.10297	2.5
231.08069	2.1
231.10120	2.9
232.08882	2.5
233.09618	3.0
235.16911	17.7
243.10170	12.1
245.09685	4.3
246.10199	2.1
247.07419	2.7
248.08282	2.5
255.10223	4.4
257.09637	5.3
258.06796	2.0
259.07520	4.1
260.08426	2.9
261.09119	4.6
262.09772	1.4
263.06946	1.7
263.10745	2.9
264.07849	2.5
265.08380	1.9
271.07550	4.1
273.11292	33.7
274.09457	1.6
274.11798	1.9
275.10587	3.9
276.07846	4.4
276.11154	1.8
277.08676	2.7
277.12216	1.9
278.09286	2.0
285.09070	5.5
286.09705	2.8
287.07031	3.3
287.10336	2.2
288.07584	2.5
289.08746	3.4
289.12152	3.3
290.09448	2.0
291.10178	5.6
292.07385	2.3
293.08191	2.3
293.11728	3.2
301.08823	2.0
302.09366	3.0
303.10339	7.2
305.11774	4.9
307.09833	9.8
307.13089	2.9
308.10471	3.6
309.11084	1.9
314.09253	1.8
317.11710	4.9
318.12518	1.8
319.09775	3.2
319.13214	2.2
320.10519	3.3
321.11176	6.3
325.10620	1.9
329.11780	2.9
331.09592	2.3
333.11203	5.8
334.11832	3.1
335.12592	7.2
336.13455	4.2
339.12292	3.0
347.12631	2.5
348.13605	1.9
349.14331	4.9
351.12457	7.4
351.16043	2.0
353.13965	2.5
354.14648	10.9
361.14441	2.1
367.15463	4.9
379.11316	1.8
379.15390	10.4
380.15543	2.0
397.16458	88.5
397.24704	11.0
398.16779	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.05515	7.5
56.31249	1.2
56.75069	1.2
57.07071	1.2
67.05511	12.6
69.07064	6.4
69.09797	3.5
69.10220	7.0
69.25934	1.3
79.05496	13.7
81.07059	43.3
83.08617	2.9
89.03926	8.4
91.05489	16.4
91.06023	2.1
92.68107	1.2
93.07044	17.2
95.04974	2.3
95.08607	30.7
99.04450	16.6
100.99388	1.3
105.07030	38.2
106.04221	1.3
107.08587	34.0
109.06532	1.2
109.10158	25.6
115.05446	1.9
117.03376	22.1
117.06975	2.3
119.04903	2.3
119.08579	35.4
121.06461	1.8
121.10143	15.3
123.11697	5.1
127.03929	4.8
131.08566	3.1
132.05710	4.8
133.10120	22.2
134.07413	1.2
134.10449	1.5
135.04523	1.2
135.11687	6.7
137.05965	4.3
137.13240	1.7
145.02846	55.8
145.10149	3.2
146.03197	1.7
147.08032	2.7
147.11696	28.9
148.12079	1.4
149.05986	9.1
149.13263	1.9
155.08539	2.3
157.10107	1.8
159.11650	2.5
161.13271	8.5
175.14876	3.0
177.05466	100.0
178.05855	3.2
179.08560	1.4
179.10718	2.2
183.08041	2.2
195.06540	3.4
196.08812	1.4
203.17961	35.8
204.18256	2.0
205.06442	1.9
207.08376	1.5
207.10094	8.6
215.10667	2.2
219.08141	2.5
221.05984	1.9
225.05411	2.3
229.12161	1.7
233.05931	1.4
234.06747	2.3
235.07584	2.6
237.09048	2.9
239.06946	2.5
247.07661	2.2
248.08124	1.4
249.05405	2.9
250.06238	2.6
251.03246	1.7
251.07060	3.3
253.04987	2.5
253.08586	1.6
262.06262	1.8
263.06995	4.8
264.07761	1.6
265.04907	4.3
265.08636	4.5
266.05792	3.2
267.06586	1.7
275.07050	1.5
277.08414	3.0
278.05746	2.0
278.09271	2.3
279.06528	5.7
280.07135	5.1
281.04352	3.8
281.07950	3.2
282.05319	1.9
283.06158	1.6
291.06537	2.8
292.07196	3.0
293.04602	2.8
293.08029	6.8
294.05139	5.2
294.08795	5.0
295.06046	2.5
295.09598	3.4
296.06671	1.8
305.08105	3.1
306.08847	2.3
307.05954	4.9
308.06680	6.1
309.04263	1.5
309.07520	7.0
309.10815	2.2
311.05637	7.8
311.08878	2.2
320.10376	1.4
321.07571	4.4
322.08322	2.9
323.09116	34.6
324.09796	10.9
325.07028	5.1
325.10721	5.4
326.07913	10.5
327.08215	1.9
333.07425	2.4
337.06989	3.3
337.10767	3.7
338.11243	3.2
339.08600	5.4
339.12219	5.3
340.09283	4.5
348.09924	2.4
349.10693	1.8
353.10159	5.4
354.11035	2.4
355.11771	19.5
365.10132	2.8
365.29840	1.5
366.10925	5.4
367.11722	8.9
369.13263	3.5
379.11801	9.3
379.22415	1.6
397.12802	22.5
397.23447	2.1
397.30838	1.8
398.12936	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.05515	7.5
56.31249	1.2
56.75069	1.2
57.07071	1.2
67.05511	12.6
69.07064	6.4
69.09797	3.5
69.10220	7.0
69.25934	1.3
79.05496	13.7
81.07059	43.3
83.08617	2.9
89.03926	8.4
91.05489	16.4
91.06023	2.1
92.68107	1.2
93.07044	17.2
95.04974	2.3
95.08607	30.7
99.04450	16.6
100.99388	1.3
105.07030	38.2
106.04221	1.3
107.08587	34.0
109.06532	1.2
109.10158	25.6
115.05446	1.9
117.03376	22.1
117.06975	2.3
119.04903	2.3
119.08579	35.4
121.06461	1.8
121.10143	15.3
123.11697	5.1
127.03929	4.8
131.08566	3.1
132.05710	4.8
133.10120	22.2
134.07413	1.2
134.10449	1.5
135.04523	1.2
135.11687	6.7
137.05965	4.3
137.13240	1.7
145.02846	55.8
145.10149	3.2
146.03197	1.7
147.08032	2.7
147.11696	28.9
148.12079	1.4
149.05986	9.1
149.13263	1.9
155.08539	2.3
157.10107	1.8
159.11650	2.5
161.13271	8.5
175.14876	3.0
177.05466	100.0
178.05855	3.2
179.08560	1.4
179.10718	2.2
183.08041	2.2
195.06540	3.4
196.08812	1.4
203.17961	35.8
204.18256	2.0
205.06442	1.9
207.08376	1.5
207.10094	8.6
215.10667	2.2
219.08141	2.5
221.05984	1.9
225.05411	2.3
229.12161	1.7
233.05931	1.4
234.06747	2.3
235.07584	2.6
237.09048	2.9
239.06946	2.5
247.07661	2.2
248.08124	1.4
249.05405	2.9
250.06238	2.6
251.03246	1.7
251.07060	3.3
253.04987	2.5
253.08586	1.6
262.06262	1.8
263.06995	4.8
264.07761	1.6
265.04907	4.3
265.08636	4.5
266.05792	3.2
267.06586	1.7
275.07050	1.5
277.08414	3.0
278.05746	2.0
278.09271	2.3
279.06528	5.7
280.07135	5.1
281.04352	3.8
281.07950	3.2
282.05319	1.9
283.06158	1.6
291.06537	2.8
292.07196	3.0
293.04602	2.8
293.08029	6.8
294.05139	5.2
294.08795	5.0
295.06046	2.5
295.09598	3.4
296.06671	1.8
305.08105	3.1
306.08847	2.3
307.05954	4.9
308.06680	6.1
309.04263	1.5
309.07520	7.0
309.10815	2.2
311.05637	7.8
311.08878	2.2
320.10376	1.4
321.07571	4.4
322.08322	2.9
323.09116	34.6
324.09796	10.9
325.07028	5.1
325.10721	5.4
326.07913	10.5
327.08215	1.9
333.07425	2.4
337.06989	3.3
337.10767	3.7
338.11243	3.2
339.08600	5.4
339.12219	5.3
340.09283	4.5
348.09924	2.4
349.10693	1.8
353.10159	5.4
354.11035	2.4
355.11771	19.5
365.10132	2.8
365.29840	1.5
366.10925	5.4
367.11722	8.9
369.13263	3.5
379.11801	9.3
379.22415	1.6
397.12802	22.5
397.23447	2.1
397.30838	1.8
398.12936	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39733	2.4
55.05501	2.9
59.05011	2.9
62.54423	2.6
62.87278	3.0
69.45297	13.6
74.00151	2.6
75.04473	5.2
88.07700	3.1
98.22655	4.5
99.04447	10.0
100.50529	3.1
100.63574	2.8
114.77936	3.0
145.06482	3.2
166.07410	3.6
169.06335	2.5
186.06369	2.6
190.07573	3.6
192.08975	4.6
193.55345	2.7
195.07774	3.7
196.08633	3.3
198.06531	5.0
206.06978	4.9
207.07896	3.9
207.09956	3.6
208.08577	4.8
208.10451	5.1
209.05934	4.4
215.06963	3.6
216.07657	9.1
217.08197	9.7
218.07027	3.3
219.07953	6.4
220.08376	13.3
221.09418	4.6
222.06366	5.4
222.09731	3.2
223.07249	4.6
224.07945	4.5
228.07556	3.5
232.08247	3.8
234.06544	3.0
235.07472	8.8
236.07993	14.2
237.05368	5.8
237.08961	5.8
238.05884	3.7
238.09503	5.3
241.04567	2.9
247.07333	4.5
248.08018	8.2
249.05626	5.0
249.08789	10.0
250.06023	11.4
250.09473	6.4
251.06812	13.4
252.04092	3.2
252.07607	9.9
252.10750	3.4
253.04675	3.5
253.08340	3.2
254.05629	3.6
254.09059	3.6
255.09753	4.4
256.07227	3.6
260.08008	5.7
262.05914	4.8
262.09567	3.6
263.06927	14.3
264.07404	23.4
265.04712	4.3
265.08319	16.8
266.05688	5.6
266.08926	25.1
267.06305	8.6
267.09680	4.8
268.07056	5.8
271.05319	4.9
276.07452	15.8
277.08176	20.5
278.05713	4.7
278.08939	26.7
279.06165	10.6
279.09689	8.1
280.03943	3.8
280.06949	18.2
280.10156	6.0
281.07861	11.1
282.05136	5.0
282.08487	9.5
288.07553	6.3
289.08105	3.4
290.05313	12.4
290.08890	9.3
291.06122	9.9
291.09509	3.3
292.07108	13.3
292.10330	4.0
293.08035	13.2
294.04971	7.4
294.08438	34.7
295.05756	11.8
295.09488	21.3
296.06372	8.6
296.10028	7.6
297.07407	9.9
297.10718	3.2
298.04715	3.5
299.08868	5.2
304.06927	12.4
305.07822	24.4
306.08408	43.4
307.05817	5.0
307.09158	19.6
308.06418	11.3
308.09811	9.5
309.07190	12.6
309.10565	4.5
310.04745	3.9
310.08011	19.8
310.11267	4.5
311.05392	4.3
311.08960	7.5
312.05997	6.4
312.09650	4.6
314.07248	4.6
315.08621	5.4
317.07642	4.7
318.04871	9.2
318.08395	3.8
319.05676	6.9
320.06488	5.1
320.10034	19.9
321.07617	5.1
321.10715	17.0
322.07922	37.2
322.11411	7.5
323.08841	25.1
324.09500	34.1
324.13129	5.3
325.06802	9.6
325.10501	22.5
326.07358	9.1
326.11551	8.5
327.08322	9.1
327.12305	16.1
328.09216	3.5
332.06357	6.0
333.07233	22.5
334.07867	31.4
335.04660	3.6
335.08456	5.1
336.09448	7.8
337.06714	4.6
337.10367	24.1
338.11102	19.3
339.12057	14.5
340.08975	6.5
340.12643	4.9
341.09897	7.5
342.07022	3.5
342.10956	6.0
347.08667	3.0
348.09476	41.9
349.10214	11.7
350.07327	12.7
350.11191	3.3
351.08124	11.0
352.08636	3.7
352.12592	18.7
355.11618	10.8
356.12070	11.0
357.13364	18.6
365.09860	16.1
366.10474	35.9
367.11316	6.4
368.11844	9.5
369.13138	5.8
370.13666	12.0
380.12091	100.0
381.12637	5.8
398.13162	80.8
398.36368	8.8
399.13931	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71433	2.2
67.05503	16.0
69.07053	2.3
70.88027	4.1
79.05474	2.2
81.07041	16.9
85.02883	8.3
93.07071	3.8
95.04935	2.5
95.08609	10.9
99.04449	2.8
99.08116	3.7
109.10152	81.7
110.10483	2.6
111.04430	5.3
119.08572	6.0
121.10132	5.1
125.05990	6.1
137.09608	61.8
138.09875	2.2
147.08038	7.1
149.92062	2.1
155.10667	39.8
165.09100	69.2
166.09532	2.1
183.10170	53.4
184.10582	2.2
184.34877	2.0
201.11212	100.0
202.11665	3.6
219.12231	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62609	1.6
67.05502	4.3
69.03427	2.2
70.76247	3.8
73.02850	1.6
81.07047	6.5
84.70684	1.4
85.02907	4.1
88.87166	1.6
93.07030	2.1
95.04969	2.1
95.08601	5.4
97.02899	1.8
99.04459	2.1
109.10157	21.8
119.08577	2.5
121.10121	2.5
125.05979	3.4
137.09601	20.3
147.08061	2.6
153.01860	1.8
155.10675	11.7
158.97270	1.6
165.09117	19.1
183.10176	13.4
194.97478	2.0
201.11223	24.6
212.98424	2.4
219.12288	9.4
237.10997	5.7
237.18149	2.2
398.14911	4.6
399.16241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.069
Annotation	Unknow
Peak:m/z	Relative Intensity
60.02805	6.6
67.65752	6.6
71.29677	9.8
78.62974	5.4
85.02948	7.1
97.02925	12.7
101.00911	12.1
102.69628	6.0
119.01933	8.9
121.01653	8.4
123.87011	5.6
131.01939	8.4
132.96564	6.4
136.06204	24.7
145.03511	7.3
155.02036	7.4
159.03212	8.7
197.03030	8.0
213.06349	8.4
219.02113	13.4
237.02516	12.2
237.06548	18.6
245.05336	8.4
249.06401	11.4
250.09349	8.2
273.06525	8.0
302.66248	6.2
321.04288	7.0
339.05606	29.5
339.09784	100.0
357.06158	14.2
357.10400	7.9
375.06601	11.1
399.06473	12.4
399.11642	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22337	0.6
56.05021	0.6
56.96564	0.8
58.99865	0.7
61.02924	0.8
64.96216	0.7
68.98316	0.7
69.03423	3.1
69.28880	0.6
71.30165	0.9
74.10311	0.6
81.03436	1.2
85.02905	6.3
85.64501	0.7
97.02905	5.8
98.97620	1.1
101.00893	5.0
109.02878	1.9
113.00883	2.4
115.02435	0.7
116.98663	0.9
119.01927	10.1
127.02407	1.6
127.03942	1.6
131.01907	5.7
133.03496	1.0
136.06215	3.9
137.02290	7.1
137.06004	0.6
139.02379	0.6
143.01859	3.0
145.03490	6.4
145.04550	1.0
147.04454	0.7
155.01897	3.8
157.03464	3.5
161.02977	4.6
167.01862	1.4
169.03491	1.5
171.93283	0.8
173.02998	5.3
177.00635	2.3
179.01988	0.9
181.03461	1.7
183.01369	0.7
183.05078	1.4
185.02928	5.0
187.02571	0.6
187.04520	1.1
193.03413	0.8
194.99677	1.3
195.01367	11.6
195.05106	1.4
196.01660	1.1
197.02988	7.6
199.04507	1.2
199.45389	0.7
203.04039	1.9
205.03500	0.8
209.03069	1.5
211.04544	2.4
213.00674	1.5
213.02469	11.0
214.02594	0.8
219.01884	4.1
219.05055	1.0
221.02975	2.2
221.05130	2.7
223.00902	0.7
223.04584	1.3
231.01463	1.2
231.03458	6.7
232.03651	0.8
233.03024	1.5
235.04482	1.1
237.02492	11.0
238.02850	1.2
239.04144	1.4
241.01999	1.2
244.04251	1.1
245.02881	0.9
245.05074	3.5
247.04628	1.9
249.02399	3.1
250.09341	1.9
251.03976	2.3
253.05869	0.9
255.01320	0.5
255.03522	12.8
256.03775	1.6
257.05225	0.9
261.02545	2.2
263.03989	2.8
265.05667	0.8
267.03616	3.4
269.05087	1.7
273.02356	0.9
274.97354	0.9
278.04990	0.7
279.03760	6.0
280.03714	0.9
281.05069	4.4
285.04556	1.2
291.03592	7.0
297.04599	5.4
299.06116	0.8
301.01196	0.7
309.04742	1.4
321.04688	3.1
339.05682	42.6
339.09344	3.9
340.05872	6.1
357.06702	38.0
358.06784	4.4
375.06946	2.3
380.08426	1.3
381.11447	1.9
393.08871	3.0
399.08011	4.4
399.12643	100.0
400.12866	9.4
417.08563	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.5
60.04521	1.7
60.67529	1.7
69.03420	2.2
70.06582	16.4
72.08152	18.5
81.07029	1.8
82.04132	1.5
85.02871	4.9
85.44648	1.5
97.02891	3.7
99.71070	1.6
106.71725	1.9
116.07063	4.9
120.08059	2.7
137.05940	3.0
145.10155	1.5
147.04395	1.8
147.35132	1.6
152.05614	2.6
152.06883	2.2
157.09698	4.7
178.62361	1.8
185.09149	6.9
194.08064	2.6
237.07355	13.6
238.14331	6.5
250.09331	2.7
251.81384	1.9
284.15976	6.9
399.10419	100.0
399.16116	4.8
399.21320	3.0
400.10684	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54528	2.3
56.96566	29.5
57.07485	3.0
67.84676	2.5
70.06580	4.1
71.03954	6.5
84.96042	9.9
85.02888	5.7
88.92323	2.5
90.36557	2.5
97.02893	8.6
98.97588	65.4
103.05484	7.3
110.97576	24.1
111.04417	3.2
112.99127	5.4
116.98629	28.3
121.45021	2.8
123.04433	9.7
128.98604	28.3
131.04924	17.8
134.99651	8.1
136.06194	8.5
143.00146	8.8
144.98068	4.3
146.99641	14.4
158.99643	12.0
161.01178	6.0
161.02942	3.2
162.99170	3.0
163.00589	6.3
163.04016	4.0
163.07558	9.7
170.99580	7.9
177.00684	11.4
181.01689	6.9
189.00673	7.7
193.01752	10.5
195.03317	12.5
211.02791	10.2
213.04288	13.6
219.01711	28.8
237.02657	55.4
237.07309	27.9
250.09288	11.0
255.05492	9.2
279.05328	5.6
297.06345	3.0
339.03897	3.9
339.07498	93.1
340.07904	6.7
357.08594	100.0
358.08783	7.0
399.10800	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06621	6.5
70.48595	14.5
72.06503	6.3
85.02899	9.3
90.05038	6.2
97.02902	20.8
101.00871	12.2
102.05516	7.3
103.00618	8.2
119.01936	12.9
121.01679	8.0
131.01955	9.9
136.06204	12.9
137.06009	16.9
143.01970	8.7
145.03548	9.3
147.03223	7.6
152.16434	8.3
155.01881	7.7
159.03278	7.9
161.02969	5.9
169.03465	7.0
177.00987	10.6
181.03543	9.1
185.02962	9.6
195.05103	23.1
198.98648	9.4
213.06299	10.7
219.02023	29.5
220.02202	10.0
221.04994	9.2
237.06343	19.6
241.06674	6.1
245.05170	7.1
247.04918	6.4
249.06505	11.0
261.06442	7.2
271.05310	6.5
291.03473	6.1
297.03293	11.9
339.05594	14.0
339.09467	100.0
340.09564	10.3
357.05640	24.8
357.10443	22.3
375.06247	20.5
376.06332	8.2
399.10663	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
62.23431	0.7
62.79818	0.7
66.23038	0.8
66.49645	0.7
69.03419	1.4
70.06583	1.5
71.28886	0.8
77.86355	0.8
81.03404	0.9
85.02916	1.3
87.73047	0.9
97.02905	3.1
98.18752	0.7
98.97566	2.0
131.14931	0.9
136.06187	15.1
137.05986	1.0
237.07394	1.4
245.04988	1.1
250.09337	4.0
268.10458	1.3
290.55893	0.9
339.09296	1.2
371.38538	0.8
399.12656	100.0
400.12946	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	13.1
57.03421	7.7
57.07058	6.8
67.05493	8.7
69.03433	14.1
69.07056	10.7
69.39851	39.4
70.75851	6.6
71.08642	6.7
79.05479	12.6
81.07053	18.2
83.08601	9.2
85.02923	13.9
85.15229	6.0
91.05473	14.1
93.07019	20.3
94.70518	5.3
95.04977	5.7
95.08582	13.5
97.02896	9.1
97.06506	6.7
98.23315	11.7
99.08039	7.8
105.07049	20.3
107.08586	25.1
109.10188	8.4
119.08569	22.5
121.06484	5.5
121.10146	21.4
123.08091	6.4
125.09656	7.0
127.07473	6.2
133.10138	13.8
137.05956	30.7
137.09610	9.1
144.73724	5.4
145.10197	10.5
147.08095	7.7
147.11650	11.7
151.11241	7.6
159.11676	15.2
161.13277	10.5
163.11163	19.4
166.38905	6.5
173.27588	6.3
175.07472	7.4
191.65967	6.1
201.16396	10.5
219.17445	100.0
237.18452	8.7
247.07719	5.9
399.13898	18.7
399.18448	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65572	0.3
68.70776	0.3
69.69418	0.7
69.69807	0.7
89.79629	0.3
89.86745	0.3
97.02888	0.5
133.81306	0.4
136.06184	3.8
147.60316	0.4
152.34840	0.3
173.71429	0.3
181.74301	0.4
237.07411	0.7
242.85992	0.3
250.09351	0.5
267.08109	0.3
304.73901	0.3
351.10266	0.4
399.12592	100.0
400.12921	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.8
57.41080	0.5
58.19971	0.5
59.12953	0.6
69.03440	2.7
70.06604	0.7
70.55840	1.3
72.38422	0.5
73.02940	0.6
75.91601	0.5
81.03413	1.1
81.07032	0.6
85.02922	4.7
87.04430	0.6
91.05451	0.6
97.02897	4.9
98.97595	1.6
101.00889	5.9
109.02892	1.3
113.00892	1.8
116.98647	0.9
119.01932	8.1
127.02439	1.3
127.03925	0.8
131.01913	4.5
133.03513	1.0
136.06180	3.5
137.02318	5.5
137.05978	1.0
143.01891	1.8
145.03462	5.5
155.01921	3.7
155.18747	0.7
157.03467	1.9
161.03020	4.1
163.04143	0.9
165.03925	0.8
167.01900	1.4
169.03505	1.2
169.76158	0.6
173.02957	3.8
175.04507	0.8
177.00737	1.0
181.03508	1.2
183.01466	0.8
185.02998	2.5
187.04568	1.4
193.03439	0.9
195.01404	6.9
195.05006	1.2
196.01802	0.5
197.02982	5.2
199.04552	1.0
201.11272	0.5
203.02370	0.5
203.04089	1.8
209.03021	1.0
211.04579	1.5
213.00696	0.9
213.02480	8.4
213.06238	0.6
214.02615	0.6
215.04105	1.1
219.01831	3.7
219.05176	0.8
220.02025	0.9
221.02956	1.4
221.05141	1.7
223.00899	1.0
223.04523	0.9
223.13326	0.7
227.04047	0.9
231.01408	1.2
231.03549	6.3
233.03088	0.8
235.04529	1.2
237.02480	7.5
238.02444	0.7
239.04018	1.7
245.02953	0.8
245.05144	3.5
247.04553	1.7
247.08727	0.5
249.02527	2.7
249.06053	1.1
250.09409	1.5
251.04086	1.7
255.01147	0.9
255.03537	9.9
256.03827	1.2
261.02692	1.9
263.03900	3.1
267.03568	3.7
269.05078	1.2
271.05029	0.7
279.03760	4.3
281.05182	3.6
282.05350	0.9
285.04797	0.7
291.03552	5.2
292.03726	1.0
294.06012	0.6
297.04654	3.4
309.04556	1.9
321.04507	2.5
339.05652	34.2
339.09323	3.0
340.05997	3.9
351.10690	0.6
357.06699	27.6
357.10165	1.1
358.06998	4.7
375.06253	3.5
376.06403	0.9
381.11484	2.7
393.08826	2.3
399.12625	100.0
400.07950	0.7
400.12860	8.1
417.08157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1436
Annotation	Pyramidatin H
Peak:m/z	Relative Intensity
54.96357	0.6
58.87185	0.7
66.84245	0.7
68.03825	0.7
69.25163	0.7
92.76397	0.7
98.22585	2.4
111.23353	0.6
115.05405	0.9
119.71399	0.7
141.06909	1.2
145.06496	0.8
146.92287	0.7
152.06142	0.7
152.15575	0.7
153.06953	1.5
165.06932	4.3
166.07767	1.2
167.08479	0.9
169.06418	1.4
171.07945	1.1
177.06985	1.1
178.07805	2.3
179.08513	2.8
180.05669	0.8
181.06384	3.4
182.07208	2.4
183.08034	2.8
184.05159	2.1
185.06009	0.9
189.06949	1.4
191.08546	1.9
193.06468	2.2
194.07240	2.1
195.08089	3.4
196.05084	1.1
196.08842	3.8
197.06049	4.4
198.06693	2.0
199.07529	3.9
205.06421	1.7
206.07222	2.0
207.08047	6.4
208.08749	1.8
209.05972	4.7
209.09590	2.6
210.06737	6.2
211.07527	10.0
211.11119	1.7
212.04666	1.3
212.08228	1.2
213.05429	1.7
213.09077	2.9
218.07164	0.9
219.08014	1.6
220.05154	1.4
221.05997	3.3
221.09549	2.0
222.06850	3.7
223.03841	0.9
223.07484	4.0
224.04662	1.2
224.08327	9.5
225.05373	4.1
225.09015	2.3
226.06192	4.6
226.09814	1.9
227.06955	6.8
228.07565	1.0
231.07907	0.9
233.05852	1.2
233.09584	2.0
234.06662	2.2
235.07526	10.4
236.08260	5.7
237.05513	4.7
237.09076	6.6
238.06293	4.0
238.09801	1.7
239.06982	7.6
239.10649	10.0
240.04108	1.0
240.07817	4.3
241.04933	4.3
241.08559	7.2
242.05751	4.1
247.07504	1.5
248.08321	1.5
249.05482	1.5
249.09102	4.0
250.06227	3.4
250.09937	1.7
251.03372	0.7
251.07004	4.9
251.10698	0.9
252.03999	1.1
252.05020	0.9
252.07779	12.2
253.05002	4.3
253.08521	4.1
254.05727	7.6
254.09375	3.3
255.06532	10.7
255.09326	1.2
255.10199	1.1
256.07166	4.2
257.07901	1.9
261.09103	2.5
262.06131	1.1
263.07059	7.0
264.07767	3.6
265.05005	2.3
265.08557	13.9
265.11829	1.4
266.05963	1.4
266.09348	5.6
267.06567	8.4
267.10150	24.3
268.07288	9.3
268.10541	2.1
269.04498	2.7
269.08032	10.3
269.11649	4.7
270.05228	2.9
270.08557	1.2
271.05957	2.6
271.09659	1.2
277.08545	3.9
278.05643	1.1
278.09378	2.9
279.06555	5.6
279.10007	2.6
280.04514	1.0
280.07236	5.3
281.04440	8.5
281.07993	5.2
281.10986	1.0
282.05243	2.1
282.08853	10.8
283.06027	7.5
283.09604	4.1
284.03415	1.0
284.06729	12.9
285.07526	11.0
286.08340	1.2
291.06702	1.4
291.10175	1.9
292.10751	1.1
293.08060	8.5
293.11703	4.2
294.05548	0.8
294.08826	8.1
295.06055	6.6
295.09647	28.5
295.12985	1.6
296.06726	5.4
296.10254	3.0
297.04053	2.0
297.07562	13.1
297.11203	18.8
298.04636	2.5
298.08252	4.6
298.11633	1.8
299.05490	9.0
299.09125	20.1
299.12402	0.7
300.05969	0.9
300.09409	1.6
304.07440	1.2
305.08105	2.1
306.08667	1.0
307.09589	1.4
308.10355	1.7
309.07574	5.4
309.11136	2.2
310.04904	1.2
310.08255	6.4
311.05481	9.9
311.09116	4.7
311.12289	1.1
312.06165	2.7
312.09970	3.9
313.07043	10.9
314.07697	2.8
315.08591	2.4
319.09692	2.2
320.10449	1.2
321.07535	2.9
321.11215	2.5
323.09302	1.2
323.12811	3.9
324.06421	1.3
324.09872	5.8
325.07120	3.0
325.10660	52.7
326.07840	37.2
326.11264	4.4
327.04889	6.1
327.08600	23.6
327.12265	7.1
329.10156	0.9
335.08990	0.9
336.09808	4.4
337.10614	2.8
339.12167	3.2
340.09384	5.8
341.10110	2.5
341.13779	1.1
342.07343	11.9
342.11130	1.3
343.07794	1.2
350.11423	1.0
351.08313	1.5
351.12271	16.6
352.12799	1.0
355.11746	100.0
356.11993	4.9
357.09668	46.3
358.09955	1.9
366.10925	1.7
367.11606	1.0
368.12607	0.9
369.13306	23.4
370.13800	1.0
381.13419	9.3
399.14374	61.2
400.14709	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21058	10.5
69.21479	6.5
103.26755	2.4
165.06921	4.0
178.07751	4.6
179.08572	5.4
181.06541	5.5
183.07907	3.5
191.08560	2.3
193.06430	5.0
194.07179	7.4
195.08023	6.4
195.79733	2.5
196.08759	3.8
197.05949	3.7
205.06377	5.8
206.07300	3.5
207.08043	6.5
208.08701	3.0
209.05971	5.2
209.09738	6.1
210.06876	4.1
211.07556	5.7
219.08057	3.3
221.05896	3.8
222.06770	8.1
223.07498	9.0
224.08278	8.6
225.05487	6.3
225.08862	5.5
226.06255	5.1
227.07178	5.4
233.05844	3.7
234.06784	4.2
235.07545	13.2
236.04704	2.4
236.08231	7.3
237.05444	9.8
237.09084	8.0
238.06216	7.8
238.09862	4.4
239.07007	10.5
239.10658	10.3
240.07758	4.2
241.08607	6.1
248.08403	3.0
249.05505	6.7
249.09149	3.9
250.06305	10.4
251.07013	20.6
252.07784	27.7
253.04936	10.1
253.08546	6.2
254.05733	10.3
255.06400	6.1
256.07303	3.5
257.04568	3.5
263.07071	9.6
264.07791	7.6
265.04846	6.9
265.08585	21.7
266.05762	3.7
266.09335	7.5
267.06537	13.4
267.10147	28.5
268.07266	10.2
268.10175	3.8
269.08093	5.4
270.05225	5.1
271.06055	6.9
277.08524	6.6
278.05594	3.3
279.06458	11.2
279.09976	3.6
280.07196	14.8
280.09982	2.9
281.04825	4.4
281.08081	15.0
281.11591	3.4
282.05466	5.4
282.08835	11.0
283.06064	5.5
283.09540	4.3
284.06882	4.3
284.10095	3.3
285.07550	3.3
291.06564	4.0
291.09811	3.4
292.07303	4.6
293.08066	18.1
294.08902	12.1
295.06012	15.8
295.09644	61.7
296.06683	7.5
296.10150	9.6
297.07532	11.0
297.11185	12.1
299.05679	4.9
299.09073	7.7
299.12479	3.8
300.06247	6.5
305.07867	3.0
307.06219	3.0
307.09454	3.5
308.06766	5.3
308.10126	3.2
309.07535	11.9
309.10925	5.4
310.08356	17.6
310.11700	3.4
311.09131	10.0
312.09848	5.4
313.07043	9.3
314.07727	6.9
315.08575	26.7
321.07578	4.6
323.09070	9.9
324.09824	7.6
325.07285	4.6
325.10678	100.0
326.07840	4.1
326.11157	15.5
327.08481	16.0
327.12296	19.6
328.09314	15.8
329.10117	26.4
335.09152	4.2
337.07037	4.7
337.10718	27.5
339.08578	3.5
339.12238	10.5
340.09329	7.0
341.10168	24.4
342.10950	46.6
343.11447	8.6
349.10941	4.2
350.11572	5.2
351.08374	4.2
352.09225	4.4
355.07776	4.2
355.11771	47.0
356.12311	13.3
357.13306	98.3
358.13620	8.3
366.10892	3.2
367.11942	13.9
368.12396	9.3
369.09274	11.8
369.13327	8.6
381.13318	18.3
384.12033	13.8
385.12375	2.5
399.14328	29.2
400.14426	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1438
Annotation	Pyramidatin H
Peak:m/z	Relative Intensity
52.12748	1.0
61.52715	0.9
68.49075	1.1
69.13068	8.5
85.06510	1.0
109.44537	0.9
110.41914	1.0
116.79549	1.0
123.45985	1.0
153.07027	1.2
165.07014	3.2
166.07764	1.2
167.08504	1.6
169.06593	1.5
178.07719	1.5
179.08540	2.9
181.06476	3.2
182.07161	1.0
183.08063	2.6
184.05174	1.2
191.08562	1.7
193.06532	1.9
194.07314	2.8
195.08047	2.9
196.08818	2.2
197.06010	4.5
197.09694	1.0
198.06679	2.4
199.07504	2.2
200.95267	0.9
205.06456	2.8
206.07281	3.1
207.08070	6.2
208.08870	2.0
209.06001	2.3
209.09656	3.2
210.06744	4.7
211.07550	7.5
211.11095	1.5
213.05760	1.5
213.09140	1.1
219.08017	2.3
220.05214	1.8
221.06059	1.9
221.09651	1.7
222.06677	3.1
223.03986	2.4
223.07364	5.0
224.04749	1.3
224.08279	9.4
225.05476	3.5
225.09064	1.9
226.06233	4.3
227.06990	7.1
228.07782	1.4
233.05930	1.2
233.09520	1.4
235.07545	9.4
236.08293	6.0
237.05473	3.8
237.09047	7.1
238.06168	3.6
238.09787	1.9
239.06996	9.3
239.10612	9.9
240.07767	4.5
240.10878	1.2
241.04965	4.1
241.08524	5.8
242.05702	3.1
243.06532	1.3
247.07512	2.0
248.08377	1.2
249.05353	1.4
249.09203	3.3
250.06161	2.5
250.09924	1.9
251.06963	6.6
251.10785	1.5
252.07858	13.0
253.04939	5.6
253.08456	4.9
254.05707	5.3
254.09332	4.7
255.06538	10.3
255.08977	1.2
255.10167	1.4
256.07275	3.3
257.07999	2.2
263.07047	7.3
264.07825	4.3
265.05460	2.1
265.08542	13.2
265.11520	1.2
266.05838	0.9
266.09186	4.9
267.06567	7.3
267.10181	21.7
268.07315	8.8
268.10657	3.0
269.04568	2.1
269.08084	8.9
269.11768	3.3
270.05289	2.8
271.06036	2.2
271.09589	2.2
276.07892	1.2
277.05344	1.1
277.08661	3.2
278.09366	3.1
279.06534	4.5
279.10065	3.5
280.07391	6.0
280.10190	1.1
281.04498	5.5
281.08118	5.4
281.10999	1.2
282.05377	2.4
282.08862	9.8
283.05994	7.6
283.09570	4.1
284.06680	10.1
285.07535	10.6
291.07080	1.2
291.10257	2.2
292.10376	1.4
293.08124	8.0
293.11667	3.3
294.05765	1.3
294.08783	5.4
295.06052	4.4
295.09552	27.0
295.12918	1.9
296.06769	5.5
296.10217	3.2
297.04086	2.9
297.07553	11.6
297.11209	17.7
298.04993	1.9
298.08289	4.8
298.11404	1.5
299.05502	9.6
299.09167	19.9
300.09531	1.5
305.08109	2.4
306.08569	1.1
307.09543	3.0
308.06796	1.8
308.10306	2.2
309.07553	5.2
309.11066	2.7
310.05133	1.1
310.08185	5.9
311.05453	8.1
311.09042	5.2
312.06030	3.5
312.09872	3.8
313.07022	11.3
314.07690	1.6
315.08582	2.4
319.09546	2.3
321.07626	2.8
321.11154	2.0
322.08160	1.7
323.09097	2.0
323.12665	2.6
324.09845	6.8
325.07144	2.8
325.10657	48.9
326.07825	35.9
326.11212	5.9
327.04883	3.1
327.08594	20.7
327.12292	6.6
328.09055	2.2
329.10202	1.5
336.09885	3.8
337.10590	4.7
339.08554	1.4
339.12198	3.4
340.09271	5.0
341.10104	1.3
342.07343	10.0
350.11377	1.9
351.12247	14.1
354.10617	1.4
355.11749	100.0
356.12097	9.2
357.09656	44.6
357.13333	2.4
358.10034	3.5
366.10837	2.1
367.11526	1.6
368.11682	1.4
369.13239	25.9
370.13812	2.5
381.13336	9.4
382.13345	1.5
399.14343	64.4
400.14529	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1438
Annotation	Hoslunddiol
Peak:m/z	Relative Intensity
63.40598	2.1
67.80506	2.0
68.44221	2.1
69.30215	16.4
94.96365	2.1
98.23347	3.1
123.04404	2.6
153.06989	3.1
178.07779	4.7
179.08551	4.4
181.06412	2.6
191.08592	2.6
194.07222	3.1
195.08037	6.8
197.06093	2.6
204.66293	2.4
205.06517	7.7
206.07306	5.6
207.08105	8.9
211.07707	6.2
219.08113	3.1
220.05385	2.3
221.05936	5.6
221.09506	2.6
222.06720	7.6
223.07573	8.4
224.08354	9.0
226.06380	5.0
233.05923	3.9
234.06671	4.3
235.07573	14.6
236.04678	2.5
236.08324	9.1
237.05479	7.7
237.09137	7.7
238.06192	5.5
239.07010	5.4
239.10719	7.0
240.07677	5.5
241.04971	2.3
241.08556	4.1
242.05855	3.2
247.07465	3.8
248.08099	2.7
249.05464	6.6
249.09093	6.1
250.06331	9.9
251.06932	16.5
252.07855	17.9
253.04825	5.5
253.08543	9.7
254.05826	9.7
254.09323	3.6
255.06380	4.2
255.10165	3.5
256.07135	2.9
257.32431	2.4
261.05508	2.9
262.06183	3.3
263.07053	12.3
264.07776	10.3
265.05063	7.8
265.08615	21.4
266.05740	4.9
266.09174	9.1
267.06586	13.6
267.10043	18.1
268.07281	9.4
268.10358	3.8
269.08035	4.8
270.08762	2.9
271.05991	7.5
277.04883	3.0
277.08420	5.6
278.05811	4.7
278.09027	2.6
279.06552	18.2
279.09909	4.5
280.07178	16.2
281.04630	3.6
281.08041	12.8
281.11267	3.1
282.05530	4.3
282.08804	7.7
283.06467	4.0
283.09421	5.4
284.06738	5.3
285.07516	6.2
291.06628	5.6
292.07275	6.4
293.08020	21.5
294.05396	4.9
294.08835	15.7
295.06046	15.8
295.09668	49.8
296.06732	7.3
296.10202	6.5
297.07584	10.7
297.11224	6.6
298.08228	5.9
299.05710	4.5
299.09146	8.3
299.12659	3.3
300.06296	9.6
301.07001	3.1
305.08063	3.2
306.08548	2.6
307.05948	4.2
307.09396	5.7
308.06815	5.8
309.07513	19.5
309.11133	7.8
310.08356	21.0
311.05881	3.3
311.09128	10.3
312.06308	2.7
312.09732	4.2
313.07047	5.3
313.10425	3.6
314.07764	7.2
315.08591	27.6
316.09439	7.3
321.07437	6.8
323.05685	2.8
323.09256	12.6
324.06400	4.7
324.09689	16.5
325.07111	6.2
325.10666	100.0
325.14630	4.8
326.07748	5.2
326.11206	12.9
327.08588	17.3
327.12292	14.7
328.09372	11.9
329.10211	24.6
334.08289	2.7
335.09204	10.4
336.09720	2.6
337.07117	5.0
337.10709	29.0
338.11279	3.3
339.08591	5.1
339.12274	9.0
340.09375	5.1
341.10245	22.7
342.10971	53.4
343.11569	4.1
349.10587	7.0
350.11401	10.7
352.09366	6.0
353.10110	5.3
354.10825	2.6
355.11688	36.8
356.12494	9.6
357.13275	57.1
358.10162	3.4
358.14069	4.0
366.10962	3.7
367.11798	32.2
368.12253	22.1
369.09222	12.4
369.13727	11.8
381.13120	5.3
384.12003	20.9
399.09140	3.1
399.14328	57.5
399.22421	2.6
400.14722	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.0
57.07088	2.0
65.53747	1.8
67.05521	2.6
72.61876	1.7
78.54125	1.6
83.04963	1.5
83.20531	1.7
93.07066	2.5
93.17398	1.7
95.08605	1.9
97.02884	1.6
98.22588	4.8
105.07059	2.6
111.04451	2.0
116.30640	1.4
117.07025	1.5
119.08611	2.0
137.06039	1.6
152.06351	1.8
153.06935	1.5
155.04939	1.9
155.08595	3.2
157.06413	1.6
168.05777	2.3
169.06453	4.8
170.07318	3.3
181.06523	4.9
183.04436	2.5
183.08115	2.9
185.06036	1.7
191.08562	1.7
197.06015	6.6
198.06775	6.0
207.08244	2.3
207.11577	2.2
208.08838	2.4
209.05989	3.7
211.07539	7.2
212.04814	1.6
212.08220	2.3
213.05484	4.2
221.05884	3.4
223.03839	2.6
223.07555	2.2
224.04675	2.7
225.05510	7.6
226.06250	5.2
227.07082	4.7
229.10101	2.1
230.01056	1.9
235.07516	3.1
236.08304	2.1
237.05391	2.6
237.09158	3.0
238.06181	8.4
239.07066	7.3
240.04036	1.8
240.07582	2.0
241.05058	8.5
241.08641	2.9
242.05609	1.8
245.13235	2.5
250.06271	1.9
251.07016	3.3
252.07800	3.9
253.04916	5.8
253.08630	3.0
254.05708	23.0
255.06462	12.3
256.07227	10.0
265.08542	5.1
267.06540	13.2
267.09464	2.1
268.07269	6.4
269.04581	7.0
269.08109	20.6
270.05310	2.0
271.06036	5.8
279.10092	2.2
281.04617	4.4
281.08188	5.7
282.05084	4.6
282.08432	2.4
283.06104	12.2
284.06754	5.9
285.03973	2.0
285.07639	4.1
286.08359	3.4
293.08246	2.8
294.08783	2.7
295.09680	6.9
296.06781	19.8
296.10410	9.0
297.04568	1.4
297.07642	32.7
297.11090	4.8
298.08011	2.8
299.09119	6.1
300.06219	6.4
308.10410	3.1
310.08377	2.1
312.06451	4.1
312.09903	45.6
313.06964	3.6
313.10269	4.3
314.07852	38.0
315.08557	3.0
325.10794	5.5
326.07910	3.7
326.11533	5.8
327.08624	100.0
327.12314	46.8
328.08990	8.2
328.12381	2.3
336.10040	2.1
337.10629	3.8
351.12247	16.3
355.11600	6.5
357.09399	3.7
368.12387	2.3
369.13171	13.1
370.13855	2.1
399.14441	12.0
399.23062	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1438
Annotation	Pyramidatin H
Peak:m/z	Relative Intensity
50.76493	4.9
59.05009	6.8
67.05495	5.4
68.82278	3.6
69.03972	39.1
69.07053	3.6
75.04475	15.7
79.05497	3.9
81.07055	8.3
83.04983	4.4
91.05500	7.2
93.07024	4.8
95.08616	7.8
101.06022	10.3
105.07034	7.1
107.08575	6.0
109.06535	8.6
115.05436	8.0
118.57066	4.6
119.08561	4.7
129.05447	6.1
135.08043	4.4
137.05913	6.4
143.08577	3.9
145.06491	5.7
155.08536	8.4
157.06490	6.0
159.08124	4.4
165.06984	8.1
169.06613	5.0
169.08543	5.5
171.08058	4.9
173.09619	5.3
175.23628	4.1
178.07776	7.6
179.08543	12.1
181.06531	6.4
181.10132	4.4
183.08035	5.6
189.05464	6.9
191.08583	7.7
193.10129	13.0
195.08025	8.7
197.06096	5.9
197.09665	5.1
201.05450	9.3
202.07863	4.2
203.06972	5.0
203.08627	8.3
205.06580	6.5
205.10146	5.2
206.07202	6.3
207.08078	6.3
207.11725	5.3
209.05997	5.9
209.09642	9.3
210.06682	5.6
211.07530	10.5
211.11140	5.6
213.05431	11.8
215.06972	4.3
217.08629	5.7
219.08131	10.1
221.09662	13.0
223.07571	12.2
224.08281	6.2
225.05536	8.4
225.09140	23.5
226.06194	6.9
227.07033	13.7
229.04984	24.7
229.08623	5.0
231.08119	6.6
233.09663	9.4
234.06775	5.2
235.07513	15.4
235.11108	6.1
236.08228	18.9
237.05424	5.8
237.09041	9.2
239.07089	15.3
239.10681	9.3
240.04141	16.1
240.07753	8.6
241.04892	9.8
241.08556	11.0
242.05780	6.6
247.07639	8.2
248.08319	11.8
249.09142	30.0
250.06096	4.5
250.09735	9.5
251.07066	14.3
251.10783	16.9
252.07724	9.4
253.01352	6.1
253.04971	6.7
253.08611	21.1
253.12051	5.3
254.05745	5.4
254.08998	4.9
255.06544	26.1
255.10226	12.6
256.07257	5.3
257.04532	10.0
257.08099	5.1
261.09299	6.8
263.07016	13.5
263.10696	12.7
264.07870	18.5
265.08588	21.3
266.05630	4.8
266.09381	12.5
267.06534	8.8
267.10175	14.1
268.03616	5.2
268.07181	10.5
268.82892	4.4
269.08008	13.7
270.05130	5.6
271.05991	8.8
272.06781	5.6
273.95792	4.1
275.06891	5.5
276.07800	7.3
277.08536	22.4
278.05850	5.2
278.09314	13.8
279.06601	12.2
279.10162	46.2
280.07443	7.5
280.10721	10.9
281.04877	6.9
281.08115	23.9
281.11719	16.8
282.05234	4.6
282.08835	9.6
283.06030	22.6
283.09662	28.9
283.12769	6.6
284.06766	6.3
285.04358	5.2
285.07489	17.5
286.04745	5.6
289.08661	5.2
291.06714	9.1
291.10205	14.2
292.07321	5.7
293.08020	14.6
293.11682	11.9
294.08893	21.9
294.12085	5.0
295.06268	8.5
295.09549	19.2
295.12814	8.9
296.06967	5.4
296.10358	13.2
297.07550	19.9
297.11005	7.1
299.05402	8.0
299.08899	5.7
300.06223	6.7
301.07104	13.4
302.07892	6.4
305.08145	7.8
306.08853	15.5
307.09610	27.1
308.06696	6.9
308.10388	8.3
309.07544	10.3
309.11127	25.4
310.08191	14.6
310.11880	10.4
311.05673	24.1
311.09085	11.7
311.12659	52.5
313.07108	7.0
314.07706	7.2
315.08585	14.2
315.12317	24.2
321.11172	38.3
322.08493	9.5
322.11960	11.6
323.09052	17.2
323.12787	13.1
324.09811	10.2
325.07123	5.9
325.10617	27.5
326.11478	18.5
327.08713	9.0
327.12247	7.0
335.09186	9.9
336.13394	25.5
337.10660	23.8
337.14261	5.9
338.11456	13.2
339.08542	8.3
339.12253	64.2
339.15829	8.0
340.12793	8.8
341.10175	10.9
341.13879	13.6
342.10815	13.2
343.15399	9.8
349.10715	13.7
350.11520	13.8
351.12201	5.4
352.08963	5.2
352.12936	13.5
353.13895	33.9
355.11652	6.4
357.13388	13.7
367.11728	27.5
367.15695	5.6
368.12155	6.5
368.16208	15.7
369.08920	6.6
369.13318	100.0
370.13773	12.1
371.14941	44.2
381.13248	25.1
399.13800	44.7
399.18161	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15154	2.8
55.05505	4.1
66.67321	2.6
67.05519	4.9
69.07079	3.8
69.13929	19.5
69.14338	5.6
70.06606	3.5
78.69174	2.6
79.05515	3.1
83.08609	2.8
88.07631	9.0
98.23372	6.6
105.07036	3.8
107.08594	4.4
165.05603	3.2
165.07016	5.5
178.07794	3.0
179.08572	4.2
181.06512	6.6
182.07309	3.5
183.08090	5.4
193.06563	3.5
195.08224	5.1
196.08849	2.7
197.05991	7.2
197.09547	4.2
198.06631	3.5
199.07492	3.2
205.06532	4.7
207.08058	6.3
208.08875	3.6
209.06033	6.4
209.09656	8.9
210.06747	8.5
211.07632	9.3
212.08369	3.3
214.06137	5.3
221.05965	3.9
221.09592	4.4
222.06871	7.6
223.07547	9.1
224.08350	15.6
225.05472	6.9
225.09079	7.9
226.06261	6.2
227.07025	9.9
234.06839	6.3
235.07532	13.4
236.08301	9.6
237.05475	11.3
237.09106	14.2
238.06326	6.4
238.09930	3.7
239.07024	12.4
239.10724	9.9
240.04050	3.5
240.07761	10.3
241.04903	7.8
241.08560	10.5
242.05656	6.2
248.08257	4.3
249.05415	3.8
249.09079	8.1
250.06245	6.5
250.09541	6.1
251.07088	16.7
251.10602	2.9
252.07849	21.9
253.04863	4.2
253.08473	8.9
254.05803	10.1
254.09499	5.6
255.06540	11.5
255.10304	3.4
256.07352	10.2
257.04565	3.6
257.08072	4.1
263.07086	14.2
263.10611	3.8
264.07758	11.5
264.11316	3.0
265.05478	5.0
265.08597	21.9
265.12094	3.1
266.05713	7.3
266.09241	11.5
267.06583	15.1
267.10178	35.3
268.07385	14.2
268.10419	4.1
269.04672	4.2
269.08105	10.8
270.05295	9.2
270.08575	4.9
271.05988	6.8
272.06714	5.3
277.08499	6.7
278.09457	3.5
279.06500	12.0
279.10059	8.3
280.07358	13.0
280.10748	3.7
281.04773	5.2
281.08096	16.9
281.11292	4.1
282.05487	4.5
282.08847	10.8
283.06061	11.7
283.09561	11.8
284.06778	17.4
284.09744	4.1
285.04605	3.4
285.07507	18.3
286.08035	3.1
287.08698	3.7
291.06885	3.5
291.10120	8.8
292.10779	5.6
293.08099	18.9
293.11719	8.2
294.08887	11.8
294.12009	3.5
295.06067	13.9
295.09671	66.3
295.13028	7.1
296.06750	13.7
296.10251	8.8
297.07626	17.9
297.11230	16.9
298.08246	6.7
298.11395	3.6
299.05682	9.7
299.09158	34.5
299.12491	4.0
300.06201	11.7
300.09570	5.0
305.07901	4.4
307.06396	3.7
307.09665	9.3
307.13080	3.8
308.10452	7.5
309.07516	13.2
309.11218	9.0
310.08264	19.2
311.05707	6.5
311.09155	15.0
312.06577	4.5
312.10031	14.4
313.07114	22.9
313.10736	7.8
314.07657	7.6
315.08441	24.7
316.09268	11.6
319.09482	3.4
321.07639	5.0
321.11179	6.9
322.08328	6.3
322.11917	5.6
323.09290	6.5
323.12729	11.1
324.09891	11.4
325.10684	100.0
325.14539	6.2
326.07758	25.3
326.11453	21.9
327.08569	28.9
327.12305	23.9
328.09387	17.1
329.10083	23.6
330.10861	27.7
331.11661	8.7
335.09341	5.3
337.10568	18.5
337.14392	23.3
338.15152	5.7
338.34253	9.2
339.12155	13.1
340.09363	7.6
341.10159	17.3
341.17300	5.1
342.07245	6.6
342.10947	31.1
343.11646	13.7
350.11649	5.5
351.12320	7.1
353.13858	14.3
355.11746	75.4
356.12534	14.0
357.09509	19.7
357.13345	74.7
358.13681	9.1
361.98984	3.4
367.11694	12.8
368.12320	3.7
368.16241	51.2
369.09473	7.1
369.13181	14.2
369.16995	29.1
370.17377	4.2
381.13364	19.4
384.11990	11.2
384.16074	4.4
397.43701	3.4
399.14221	49.9
399.18152	44.9
400.14404	6.6
400.38074	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1438
Annotation	Pyramidatin H
Peak:m/z	Relative Intensity
50.01271	0.5
55.05499	0.7
57.03429	1.5
57.07074	0.5
59.04986	0.9
67.05496	0.9
68.99786	0.6
69.07049	1.4
69.52190	2.5
73.06536	1.1
75.04481	4.0
79.05491	1.0
81.07056	1.3
83.04987	0.7
91.05495	1.2
93.07038	0.7
95.04933	0.6
95.08607	1.4
98.22675	1.1
101.06009	4.3
108.76102	0.5
109.06528	1.1
113.02383	0.8
115.05434	0.5
123.04534	0.5
129.06982	0.6
139.05449	0.6
141.06998	0.6
141.09119	0.9
143.04836	0.5
145.04854	1.1
152.06145	0.9
153.06958	1.8
155.08499	0.6
156.05717	0.6
159.08025	1.2
165.05620	0.8
165.07018	2.1
167.08524	1.1
169.06480	1.3
169.08574	0.8
171.04388	1.5
171.07976	0.7
173.06007	1.1
173.09589	0.7
175.03922	1.2
178.07776	1.2
179.08545	1.9
181.06464	2.3
183.04446	0.7
183.08086	1.3
184.05193	1.1
185.05969	0.7
187.07559	0.8
189.05450	1.2
189.07074	0.9
190.07703	1.1
191.08466	0.9
193.06482	1.1
193.10100	1.4
194.07387	0.7
195.08086	2.4
196.05249	0.5
196.08760	0.9
197.06003	2.0
197.09627	1.4
198.06766	0.7
199.03957	2.0
199.07439	1.3
201.05484	1.5
204.09187	0.7
205.06552	1.2
205.10185	0.9
206.07239	1.1
207.08035	2.7
208.08783	1.5
209.05969	1.8
209.09554	2.1
210.06706	0.8
211.03935	0.8
211.07515	3.6
212.04712	2.6
212.08054	0.8
213.05475	4.4
213.08992	1.0
214.06142	0.9
215.07021	0.9
217.08659	1.1
218.07343	0.9
219.08105	1.6
221.05984	2.2
221.09604	3.4
222.06691	0.9
222.10310	0.8
223.04021	0.7
223.07523	2.4
223.11142	1.3
224.04607	0.9
224.08348	1.5
225.05455	3.0
225.09000	3.8
226.06248	3.1
226.09705	0.6
227.03352	1.9
227.07004	4.1
228.04195	1.6
229.05011	3.6
229.08621	0.8
230.02075	0.6
231.08179	0.8
232.08684	0.9
233.09622	2.0
234.06758	1.1
235.07535	3.6
235.11276	1.0
236.04430	0.7
236.08295	1.5
237.05510	2.5
237.09059	2.7
238.06204	1.6
238.09889	0.9
239.03429	0.8
239.07030	11.5
239.10765	1.6
240.04207	2.1
240.07736	2.6
241.04956	2.5
241.08482	3.0
242.05742	3.0
242.09122	0.8
243.02876	0.9
243.06369	1.6
247.07512	1.5
248.08267	2.0
249.05476	2.7
249.09085	7.5
250.06201	1.7
250.09822	2.3
251.07021	7.2
251.10577	2.1
252.04117	1.4
252.07866	2.8
253.04968	2.3
253.08603	6.7
253.12273	1.2
254.05832	1.1
254.09372	29.5
255.02867	0.9
255.06526	5.2
255.10028	5.8
256.07339	2.0
257.04446	1.5
257.08066	2.0
258.05222	0.6
261.09076	2.1
262.06680	0.9
262.09714	1.0
263.07098	4.5
263.10590	2.2
264.04416	0.8
264.07693	3.3
264.10355	0.8
265.04987	1.6
265.08597	6.5
265.12146	1.7
266.05692	1.5
266.09238	3.6
267.02939	1.0
267.06577	3.3
267.09937	3.9
268.03683	2.6
268.07245	2.5
268.10779	0.9
269.04462	2.0
269.08044	4.0
270.05237	3.3
270.08398	0.9
271.05954	2.3
271.09454	1.1
272.06662	1.2
275.07178	0.7
276.07773	1.8
277.05054	1.3
277.08545	4.3
278.05698	1.6
278.09357	5.0
279.06509	12.9
279.10101	10.0
280.07193	2.6
280.10361	2.9
281.04825	0.9
281.08057	5.0
281.11710	4.4
282.05206	1.4
282.08801	2.7
282.11841	0.9
283.06027	5.7
283.09622	6.2
284.06738	5.3
284.09885	1.0
285.04355	0.8
285.07565	6.6
286.04575	1.4
286.08029	0.7
287.09280	0.6
289.08508	1.1
290.09308	1.5
291.06598	1.4
291.10101	4.1
292.07233	1.9
292.10617	1.2
293.04694	1.2
293.08038	5.8
293.11667	4.6
294.05807	0.7
294.08850	3.4
294.11838	0.7
295.06024	2.3
295.09613	5.8
295.12738	0.8
296.03278	0.9
296.06992	1.0
296.10422	2.9
297.04312	1.0
297.07559	3.8
297.11142	2.8
298.04697	1.8
298.08298	1.3
298.11734	0.7
299.05450	4.2
299.09082	5.7
300.06329	1.1
300.09784	0.9
301.06985	2.5
305.08002	1.6
305.11490	0.6
306.08667	2.9
307.06042	1.2
307.09601	9.0
307.13138	0.6
308.06726	0.9
308.10336	5.2
308.13770	1.0
309.07513	3.3
309.11194	7.1
310.08194	1.4
310.11984	2.6
311.05472	2.8
311.09161	4.1
311.12772	9.0
312.09659	1.0
312.13092	0.9
313.03766	0.9
313.07037	7.2
313.10742	1.5
313.14178	0.8
314.07721	1.6
315.08429	1.7
315.12228	2.7
317.08249	1.1
319.09644	1.9
320.10361	1.2
321.07462	1.2
321.11185	5.7
322.08252	1.7
322.11853	1.9
323.05994	2.7
323.09067	2.2
323.12457	4.1
324.06390	1.0
324.09830	3.4
324.13492	2.2
325.07150	1.2
325.10696	4.2
325.14130	1.1
326.07797	4.6
326.11456	4.5
327.05017	1.0
327.08539	3.4
327.11978	1.0
328.09256	1.0
329.06400	1.4
329.10168	1.0
330.07208	0.6
335.09055	2.4
335.12488	1.0
336.09949	1.1
336.13605	1.9
337.06973	0.9
337.10590	5.0
337.14063	0.8
338.07700	1.0
338.11414	2.0
339.08743	0.9
339.12256	13.1
340.09311	1.5
340.12967	1.9
341.10043	2.2
341.13834	2.4
342.07434	2.5
343.15433	1.0
349.10730	2.3
350.11520	2.2
351.08420	0.9
351.12216	4.1
352.12903	1.4
353.13855	7.9
354.10556	0.8
354.14401	1.3
355.11661	5.9
355.15536	1.7
357.09644	6.7
357.13449	1.0
358.09943	0.8
367.11539	4.6
367.15576	4.8
368.11975	0.8
368.16125	7.9
369.13260	26.4
370.13788	2.4
371.14868	10.5
372.15021	1.0
381.13309	4.9
384.15680	1.1
399.14310	100.0
400.14587	10.5
400.19232	0.9
400.38199	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1438
Annotation	Hoslunddiol
Peak:m/z	Relative Intensity
51.63064	1.6
67.05499	1.7
68.43532	1.3
80.06187	1.4
95.08611	1.6
98.23370	3.0
103.53142	1.2
105.07065	2.1
117.07032	1.4
119.08575	1.8
143.08539	1.7
153.07001	2.1
161.09601	1.7
164.72800	1.5
165.05641	1.7
165.06976	3.3
167.08549	1.4
169.06499	1.5
178.07904	2.2
179.08594	5.5
181.06523	5.0
181.10240	1.5
183.08107	2.2
189.06984	1.5
191.08528	1.8
194.07269	2.2
195.08110	2.8
195.11629	1.8
196.05289	1.8
196.08803	2.2
197.05984	3.4
203.08691	1.5
205.06558	2.1
205.10080	1.5
206.07329	2.7
207.08066	4.3
208.05290	1.5
208.08667	1.5
209.06009	4.4
209.09671	2.1
210.06816	2.7
211.07608	5.2
211.11182	2.6
219.07996	1.6
220.05275	1.5
221.06053	3.5
221.09749	3.4
222.06740	5.5
223.07573	6.8
223.11258	2.5
224.04736	1.8
224.08307	11.2
225.05424	4.9
225.09018	3.5
226.06381	1.8
226.09743	1.3
227.07123	2.1
231.11635	2.2
234.06726	4.6
235.07524	9.8
236.08330	5.3
237.05495	9.2
237.09108	6.0
238.06287	4.4
238.09785	3.0
239.03204	1.9
239.06976	8.0
239.10699	11.3
240.07756	3.4
241.08566	4.5
242.05701	7.1
245.13193	2.2
249.05507	2.4
249.09103	3.9
250.06308	3.1
251.07033	10.9
252.04114	2.7
252.07806	24.1
253.05045	5.6
253.08583	7.3
254.05780	7.4
254.09309	3.5
255.06511	3.9
255.10051	1.9
256.07278	2.1
259.15015	2.2
263.07062	7.2
264.07803	3.8
265.05045	5.9
265.08575	11.1
266.05807	2.9
266.09390	7.7
267.06561	15.7
267.10193	30.8
268.07330	7.5
268.10617	5.0
269.04675	1.5
269.07962	5.3
270.05283	4.7
271.06000	2.2
276.07715	2.1
277.08725	3.5
279.06506	9.2
279.09717	2.4
280.07227	13.2
281.04645	3.5
281.08057	9.5
281.11038	2.0
282.05786	2.1
282.08832	8.6
283.06039	6.5
283.09418	3.2
284.06796	3.6
284.10303	3.3
285.07504	5.0
285.16504	2.2
291.06485	3.1
292.07309	3.4
293.07953	11.0
294.05597	2.6
294.08759	12.4
295.06073	14.3
295.09680	53.8
296.06763	6.3
296.10178	6.3
297.07608	9.3
297.11273	11.0
298.08316	3.0
299.05588	1.6
299.09119	4.4
299.12537	2.4
300.06094	2.9
301.07156	2.0
303.17404	2.0
305.08075	3.7
306.08844	2.6
307.06262	1.9
307.09531	2.9
308.06693	2.3
308.10150	2.0
309.07529	9.4
309.11276	4.4
310.04935	2.4
310.08307	13.9
311.05823	1.9
311.09128	9.2
312.06418	2.1
312.09976	4.0
313.03732	1.1
313.07056	27.1
313.10501	2.9
314.07724	4.4
315.08664	8.9
319.06100	1.9
320.06900	2.0
321.07657	2.0
322.08392	1.7
323.09216	3.9
324.10034	5.8
325.07254	4.0
325.10663	93.1
326.07791	3.1
326.11240	12.1
327.08563	16.5
327.12314	16.8
328.05688	1.5
328.09348	27.8
329.10080	11.7
335.09125	3.4
336.09967	3.1
337.07108	2.9
337.10666	6.6
338.11365	2.4
339.08762	3.5
339.12317	9.4
340.09317	3.3
340.13095	2.5
341.10141	14.4
341.13742	2.2
342.10928	27.4
343.11285	3.1
349.10922	3.9
350.11362	4.1
351.08746	5.1
352.09497	5.0
353.09991	1.8
355.07672	2.3
355.11795	17.4
356.12433	11.1
357.13303	100.0
358.13623	12.5
366.11069	3.3
367.11755	13.1
368.12378	6.6
369.09341	3.1
369.13388	2.8
371.14758	2.7
381.13321	25.4
382.13657	2.7
384.12015	2.4
399.14529	24.5
399.23053	11.8
400.14658	2.4
400.23651	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1438
Annotation	Pyramidatin H
Peak:m/z	Relative Intensity
53.03947	0.7
55.01861	0.7
55.05495	1.8
56.78893	0.7
57.03433	1.4
57.07060	1.1
59.04990	1.2
67.05467	1.2
68.50928	0.7
69.07081	1.3
71.32248	0.7
71.32607	0.6
72.91901	0.7
75.04488	3.1
77.77574	0.6
77.91065	0.5
79.05479	1.6
81.07040	2.1
83.04975	1.0
84.57678	0.6
85.06532	0.7
85.14414	0.7
86.14735	0.6
88.07629	1.5
89.06023	0.8
91.05466	0.9
93.07056	1.5
95.08597	2.1
97.06520	0.6
99.04420	1.5
101.06025	3.6
105.07059	1.6
107.08599	1.3
109.06521	1.5
109.10154	1.2
115.05446	0.7
119.08572	1.8
121.10189	0.7
131.08505	0.7
133.12682	0.6
139.07536	0.8
141.06967	1.4
141.09105	1.2
145.04958	1.2
152.06201	0.7
153.06976	1.7
155.08516	1.2
157.06409	0.9
157.10156	0.8
159.08090	1.2
165.06984	2.0
166.07742	1.1
169.06319	1.6
169.08691	0.7
169.10092	0.7
171.04372	0.9
171.07994	0.7
173.05911	1.3
173.09648	1.3
175.03886	1.3
178.07782	2.0
179.08504	2.0
180.09335	0.7
181.06351	1.2
181.10144	1.2
182.07304	1.0
183.04506	0.9
183.08040	1.2
185.05910	1.3
189.05472	1.4
190.07780	1.4
191.08475	0.8
193.06493	1.0
193.10132	1.9
194.07265	1.1
195.08032	3.6
196.05231	1.0
196.08852	1.0
197.05911	2.5
197.09604	2.0
198.06732	0.9
199.03897	1.5
199.07561	1.5
200.04631	0.9
201.05444	2.4
201.16327	0.7
202.06108	1.1
202.07780	1.3
203.06978	1.3
203.08716	1.3
205.06496	1.8
205.08389	0.9
206.07169	1.2
207.07990	2.2
209.05910	2.0
209.09590	2.2
210.06775	1.4
211.04034	0.9
211.07549	4.1
212.04659	1.8
213.05423	4.0
214.06290	1.1
215.03333	0.7
217.08557	1.3
219.08041	1.3
220.08757	1.0
221.05949	2.2
221.09483	3.8
222.06664	1.3
222.10139	1.4
223.07552	3.0
223.11101	1.3
224.04619	1.0
224.08226	1.7
225.05467	3.4
225.09157	2.4
226.06232	2.4
226.09846	0.8
227.03444	1.3
227.07001	3.7
228.04173	2.2
229.04947	4.6
229.08461	1.1
232.09174	1.0
233.06114	1.0
233.09596	2.5
234.06711	1.5
235.07515	3.8
236.08208	1.8
237.05435	2.4
237.09131	3.0
238.06143	2.1
238.09821	0.9
239.03392	1.0
239.07024	13.3
239.10616	1.0
240.04109	3.5
240.07710	2.6
241.04852	2.6
241.08546	3.6
242.05705	3.3
243.06503	1.7
247.07542	2.0
248.08304	1.6
249.05524	2.7
249.09062	5.7
250.06238	2.6
250.09744	2.3
251.03418	1.2
251.07036	6.7
251.10498	2.2
252.04210	1.1
252.07782	2.1
252.11244	0.7
253.04829	3.0
253.08572	5.8
254.05745	1.5
254.06239	1.2
254.09361	27.2
254.12053	1.5
255.02815	1.4
255.06567	7.7
255.10014	6.6
256.03775	0.9
256.07153	2.0
257.04446	1.5
257.08102	2.5
258.05417	0.9
261.09067	2.2
262.09796	0.9
263.06989	4.4
263.10626	2.6
264.04370	0.8
264.07733	4.1
265.04935	2.5
265.08554	6.7
265.12173	1.2
266.05704	1.8
266.09238	2.0
267.02960	0.9
267.06519	3.0
267.10065	4.7
268.03696	3.3
268.07166	2.6
268.10583	0.7
269.04449	1.9
269.08063	4.6
269.11432	0.7
270.05292	2.9
270.08505	1.1
271.06021	3.6
271.09448	1.6
272.06564	1.0
275.06888	1.1
276.07678	1.6
277.04977	2.3
277.08578	5.5
278.05954	1.2
278.09357	2.8
279.06531	12.1
279.10147	8.5
280.07175	3.4
280.10748	3.4
281.04468	1.8
281.08041	4.4
281.11630	3.3
282.08780	2.0
283.05957	4.9
283.09238	5.3
283.12741	1.0
284.06720	2.2
285.07547	4.7
286.04785	1.1
286.08044	0.7
289.08716	1.5
290.09235	0.9
291.06439	1.9
291.10165	4.0
292.07230	2.3
292.10629	1.3
293.04785	1.2
293.08051	7.0
293.11649	2.5
294.08813	4.2
294.11758	0.9
295.06039	1.9
295.09644	6.8
296.06708	1.8
296.10263	3.2
297.07516	3.0
297.11169	3.0
298.04803	1.6
298.08139	1.7
298.11569	1.0
299.05469	2.9
299.09195	2.9
300.06149	1.2
300.09778	1.3
301.06992	2.8
305.08072	1.4
306.08936	3.1
307.06039	1.1
307.09570	9.7
308.06683	1.9
308.10297	4.7
309.07507	3.2
309.11237	5.3
310.08350	1.8
310.11948	1.9
311.05411	2.5
311.09085	4.2
311.12781	8.0
312.09845	2.4
313.07025	6.3
313.10510	1.2
313.14404	1.0
314.07629	1.3
315.08426	1.9
315.12314	2.6
319.09329	1.0
321.07632	1.1
321.11050	4.9
322.08276	1.8
322.11957	1.8
323.05423	2.9
323.09131	2.4
323.12811	2.9
324.09830	3.3
324.13419	1.6
325.07077	1.3
325.10699	7.8
325.14450	1.5
326.07761	2.7
326.11411	4.3
327.08432	2.2
327.12006	1.4
328.12677	0.9
329.06519	0.9
329.10138	1.0
330.11017	1.3
335.09167	3.0
336.13531	1.1
337.07077	1.2
337.10657	5.4
337.14288	1.5
338.07709	2.0
338.11359	1.9
338.34091	1.6
339.08676	1.4
339.12234	12.6
340.09167	1.0
340.12872	2.6
341.10123	2.3
341.13800	1.1
342.11038	2.1
343.15494	0.8
349.10675	3.3
350.11218	1.4
351.12100	2.4
353.09973	0.8
353.13806	3.4
354.10654	1.1
355.11771	7.0
355.15546	1.4
356.12289	1.5
357.09555	3.2
357.13522	1.8
366.10822	0.9
367.11734	6.5
367.15656	1.2
368.16229	3.5
369.13242	23.1
370.13644	2.1
371.14902	10.5
381.13336	4.9
398.43509	1.0
399.14325	100.0
400.14688	10.0
400.37674	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.7
55.43507	1.2
60.43675	1.3
66.58652	1.2
67.05496	2.4
69.08797	11.3
83.04984	2.0
91.05490	1.7
95.04985	1.5
95.08627	2.4
98.23307	2.5
101.06033	1.3
101.96500	1.3
102.98106	1.2
105.07024	2.4
111.04475	2.2
119.08604	1.7
129.06993	2.0
138.87596	1.6
141.06941	2.2
153.07028	2.4
155.08557	5.0
165.06995	4.4
169.06444	3.0
170.07275	2.6
179.08513	1.6
181.06516	5.6
182.07251	2.2
183.04422	3.3
183.08051	2.3
185.06038	1.8
193.10152	3.0
195.08014	2.1
196.05228	2.8
197.06036	6.3
198.06670	6.8
207.11649	2.0
209.06027	4.3
209.09605	2.1
210.06786	2.8
211.03816	1.4
211.07503	7.7
212.04726	2.3
213.05435	2.4
219.08205	1.5
221.05960	4.2
222.06879	2.9
224.04659	3.6
224.08278	1.5
225.05389	6.8
226.06184	6.4
227.07091	2.9
235.07581	2.8
237.05406	1.8
237.09052	3.3
238.06232	9.0
239.07018	9.0
240.04211	3.4
240.07649	2.8
241.04877	9.8
241.08583	5.6
242.05653	4.9
243.11659	2.9
244.12238	2.3
245.13126	2.3
249.05418	1.7
251.03349	3.2
251.07259	3.0
252.04301	2.4
252.07588	1.7
253.05069	6.3
253.08531	2.5
254.05739	23.4
255.06508	11.9
256.07294	7.6
259.14716	1.8
265.05273	1.5
265.08566	5.9
266.05792	1.8
267.06613	8.3
267.10181	2.5
268.07303	4.3
269.04504	5.8
269.08105	22.1
269.11462	2.0
270.05133	3.4
270.08408	2.1
271.06003	2.9
279.06577	2.0
280.07355	1.9
281.04459	3.9
281.08145	4.2
282.05298	2.5
282.08835	2.5
283.06036	12.4
283.09116	2.2
284.06744	5.3
285.03940	2.9
285.07547	3.8
285.16321	4.7
286.08295	2.4
293.08072	3.3
294.08795	2.4
295.06522	2.3
295.09677	7.6
296.06790	16.8
296.10425	6.9
297.07593	40.4
297.11032	3.3
298.07938	3.8
299.09122	10.0
300.06396	7.7
300.18475	2.6
309.11334	1.7
310.08423	1.7
311.09024	3.3
312.06290	4.8
312.09875	44.3
313.07050	1.9
313.10370	3.9
314.07834	37.4
315.08344	6.3
320.10535	1.7
325.10684	4.8
326.07916	2.5
326.11380	7.2
327.08612	100.0
327.12289	41.7
328.09082	9.3
328.12640	3.5
336.09784	4.8
337.10538	4.4
351.12253	16.7
355.11731	3.9
357.09619	2.7
357.13351	1.7
369.13272	12.5
399.14685	8.0
399.23163	23.0
400.23389	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.9
54.87083	0.4
55.01871	0.9
57.03436	6.7
58.06602	0.6
59.91439	0.3
61.02935	2.3
69.03074	0.8
69.03432	8.4
71.01350	0.6
71.04990	4.1
73.02924	0.9
75.04475	1.3
77.03916	0.4
81.03419	5.2
83.01314	0.4
83.04984	1.0
85.02907	26.1
87.04471	1.5
91.03962	1.0
94.04702	0.4
95.04942	0.5
97.02277	0.6
97.02893	8.0
98.22617	0.6
99.04472	1.9
102.04636	0.9
103.03973	1.6
103.05469	47.0
104.05808	1.4
105.07027	1.0
109.02866	3.1
111.04424	0.7
115.03938	0.6
115.89074	0.5
117.05457	1.0
127.03922	5.3
129.05492	1.7
130.04109	1.8
131.04927	100.0
132.05249	2.9
133.06483	1.1
136.06213	0.5
145.04956	2.5
145.06523	0.9
147.06532	1.4
148.05191	13.9
152.07082	0.7
159.08055	0.5
160.05222	0.7
161.05978	5.1
162.06715	1.2
163.07538	47.6
164.07919	2.2
175.07581	1.2
189.09152	0.6
194.08116	0.8
201.09119	1.7
212.09235	0.6
219.10121	0.6
237.11229	1.8
384.23264	0.4
399.16058	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.18
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41343	1.2
59.72215	1.3
61.66253	1.2
69.07071	2.7
69.69112	5.4
139.99500	1.5
163.40407	1.3
169.06526	1.9
181.06532	1.6
191.25064	1.5
197.05980	4.7
198.06738	2.2
199.04018	1.7
199.07788	1.3
207.08075	1.7
210.06732	3.3
211.07507	3.4
214.06099	3.4
219.08063	1.7
221.09772	1.6
223.11063	1.6
225.05446	4.2
225.09085	3.7
226.06218	4.3
227.06989	3.2
229.08578	2.9
233.09624	2.2
235.07626	1.9
235.11203	2.0
236.08261	2.4
237.09094	2.3
238.09955	1.4
239.07054	3.7
240.04112	1.6
240.07738	3.1
241.05008	4.7
241.08521	2.8
242.05771	4.1
243.06319	1.5
247.07567	2.2
247.11215	1.7
248.08511	2.0
249.09166	5.6
251.06979	2.2
251.10684	3.7
252.04105	1.5
252.11487	2.3
253.05386	1.5
253.08627	3.9
254.05772	2.9
254.09433	2.7
255.06528	13.5
255.10063	2.6
256.07294	7.0
257.04456	4.0
257.07974	7.7
261.09073	2.6
262.09967	2.4
263.10687	6.3
264.08685	1.9
264.11459	9.0
265.08655	3.5
265.12128	3.7
266.05814	2.2
266.09262	1.7
267.06454	3.8
267.10059	2.7
268.07233	4.7
268.10709	1.9
269.04449	2.3
269.08096	9.8
270.05365	2.2
270.08777	2.7
271.05994	3.5
272.06744	7.7
273.07135	1.7
277.08664	3.2
277.12070	1.5
278.13110	3.3
279.07401	1.7
279.10144	10.1
279.13733	6.0
280.10916	5.3
281.04477	1.6
281.08011	6.4
281.11624	1.8
282.08710	2.3
283.06113	3.2
283.09665	6.1
284.06766	11.0
284.10083	2.3
285.04260	2.7
285.07559	11.8
285.10703	2.2
286.08221	2.2
287.09094	2.9
291.09995	7.5
292.10864	7.0
293.08276	2.5
293.11734	5.3
294.09079	2.0
294.12387	4.1
295.06314	1.6
295.09641	3.9
295.13248	12.4
296.07034	2.7
296.10449	3.9
297.07632	8.2
298.08347	4.5
299.05716	3.1
299.09134	31.5
299.12460	1.2
300.06274	8.9
300.09647	4.1
301.06851	2.3
304.10614	1.5
305.11557	2.3
306.08978	1.8
306.12518	8.4
307.09641	9.2
307.13309	9.3
307.81952	1.5
308.10318	5.6
308.13828	2.9
309.07721	1.8
309.11206	4.4
309.14920	4.3
310.11908	1.9
310.15601	3.6
311.09158	9.5
311.12762	4.3
311.16168	1.8
312.09912	19.3
313.06970	4.1
313.10599	8.4
314.07874	2.7
315.08588	21.0
316.09341	14.9
317.09955	1.5
321.11282	3.8
322.12018	12.0
323.09045	3.4
323.12643	23.1
324.13181	2.5
325.10623	3.8
325.14386	3.6
326.11487	27.1
326.15024	3.0
327.08633	2.5
327.12125	6.7
328.09387	7.3
329.10138	8.7
330.10962	62.3
331.11539	11.2
335.12747	1.4
336.73981	1.5
337.10599	4.6
337.14282	34.8
338.11346	3.1
338.15036	14.0
339.12250	6.4
339.15836	2.7
340.13135	2.3
341.17557	8.8
342.11008	6.9
342.17590	1.8
343.11713	17.0
344.12271	2.9
352.12854	2.7
353.13849	32.4
354.14584	5.2
356.12332	2.0
357.13281	26.1
358.13651	2.3
367.15506	2.4
368.16150	88.3
369.16965	56.5
370.17657	3.1
381.17059	1.5
384.15720	10.8
399.17999	100.0
400.18375	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	2.1
57.72349	1.9
69.37462	14.3
78.52837	2.1
86.20119	1.9
121.74238	2.1
141.30219	1.9
181.06467	2.2
181.08627	3.0
183.99474	2.1
197.05972	6.2
198.06734	4.3
207.81895	2.5
210.06897	2.5
211.07541	3.7
214.06181	4.0
225.05521	5.1
225.09102	5.6
226.06270	5.9
227.07083	8.1
229.04997	2.9
233.09598	3.7
235.11263	2.8
237.09108	3.5
239.07033	5.3
240.07809	3.2
241.04889	4.5
241.08566	2.4
242.05661	4.5
247.07680	2.9
248.08299	4.8
249.09100	4.9
251.06940	3.4
251.10791	3.6
253.04942	3.5
253.08607	6.4
254.05881	4.0
254.09319	6.8
255.06519	13.9
255.10272	2.9
256.07333	11.7
257.04309	4.1
257.08072	8.2
261.09207	2.7
262.09891	4.1
263.10733	9.2
264.07828	3.0
264.11429	6.7
265.08704	5.2
265.11987	2.6
266.09424	2.8
267.06525	6.1
267.10110	3.0
267.14050	2.4
268.07236	3.9
268.10925	4.8
269.04526	4.2
269.08093	8.3
270.05133	4.4
271.06049	3.4
272.06833	8.4
275.10712	3.0
277.08591	6.1
277.12207	2.8
278.12967	4.1
279.07034	2.8
279.10229	12.6
279.13754	7.6
280.10892	7.5
281.08066	6.9
281.11499	3.0
283.06354	3.6
283.09711	8.7
284.06805	11.4
285.04248	3.8
285.07529	13.1
285.10959	4.2
287.09286	2.6
291.10159	10.5
292.10938	7.5
293.11682	7.3
294.12384	3.0
295.10086	4.1
295.13269	16.4
296.10342	3.7
297.07550	10.0
298.08328	5.0
299.09143	42.5
300.06253	11.0
300.09378	4.0
305.11819	3.9
306.09113	2.5
306.12534	9.2
307.09625	10.6
307.13272	11.8
308.10419	7.5
308.13870	3.0
309.11273	5.1
309.14786	7.6
310.08273	2.7
310.15445	4.3
311.09131	11.8
311.12778	5.7
312.09839	23.6
313.07291	4.2
313.10611	9.4
315.08685	26.0
316.09351	12.8
321.11166	6.2
322.11832	12.5
323.09189	5.1
323.12656	24.5
325.10846	4.8
325.14417	4.1
326.11536	28.8
326.15094	4.5
327.08755	5.0
327.12210	5.6
328.09509	6.6
329.10248	8.2
330.11008	74.3
331.11572	13.7
336.13278	2.7
337.10712	3.2
337.14297	50.0
338.11414	3.6
338.14969	20.6
339.12228	10.1
339.15863	4.0
341.10260	2.9
341.17572	10.9
342.10873	6.0
343.11646	20.7
353.13840	32.9
354.14459	8.0
356.12305	3.2
357.13309	26.7
358.13721	2.7
367.15469	2.7
368.16229	85.0
369.16965	80.6
370.17572	5.3
384.15707	13.0
399.18027	100.0
400.18390	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.18
Annotation	Unknow
Peak:m/z	Relative Intensity
81.55743	1.9
128.93282	2.2
142.03844	2.1
169.06567	2.5
181.08522	3.1
197.05984	2.5
198.06755	3.4
211.07545	3.6
213.05394	2.0
214.06258	4.1
225.05531	5.6
225.09013	2.7
226.06236	4.2
226.10052	2.0
227.06978	4.4
229.08650	2.8
233.09528	2.7
234.10632	2.2
235.11172	2.4
236.54773	2.6
237.09285	2.3
238.09990	2.0
239.07047	2.8
240.07744	2.1
241.04971	4.4
241.08617	5.1
242.05882	4.0
243.06519	2.4
247.07632	1.9
248.08289	3.7
249.09190	4.7
251.10829	3.3
252.11417	2.4
253.08594	2.7
254.05663	2.8
254.09419	3.3
255.06480	8.4
255.09995	3.0
256.07312	9.7
257.04355	3.9
257.08118	8.9
261.09021	2.8
262.09906	3.2
263.07169	2.1
263.10681	5.9
264.11435	5.7
265.08542	2.9
265.12283	3.0
267.06564	4.1
268.07281	4.6
268.10800	3.5
269.04593	3.3
269.08157	8.3
270.05344	2.0
270.08813	3.6
271.05884	2.9
272.06836	6.3
277.12167	2.8
279.10214	11.0
279.13486	4.1
280.10904	4.9
281.08105	3.3
282.08859	3.1
283.06366	2.9
283.09723	6.5
284.06769	9.6
285.04391	2.6
285.07480	10.7
285.10632	2.2
291.10217	5.9
293.08096	3.5
293.11554	4.6
294.12415	2.5
295.10001	3.2
295.13272	12.4
296.06754	2.2
296.10379	3.5
297.07605	5.8
298.08481	4.0
299.09125	36.2
300.06339	6.9
300.09714	7.1
305.08344	2.2
305.11688	3.2
306.12479	6.2
307.09680	9.7
307.13242	6.6
308.10260	6.1
309.11285	3.6
309.14838	3.5
310.15637	4.0
311.09073	6.3
311.12576	3.6
311.16269	2.6
312.09885	22.1
313.07181	3.3
313.10663	5.7
315.08554	23.2
316.09402	16.7
321.11188	6.1
322.12021	11.2
323.09140	3.1
323.12750	22.8
324.13651	2.9
325.10736	3.8
325.14301	4.7
326.11499	28.5
326.15039	2.4
327.08765	4.0
327.12378	5.6
328.09338	5.3
329.10242	8.8
330.10962	66.5
331.11649	11.4
337.10681	4.4
337.14325	39.4
338.11469	3.1
338.15082	16.4
339.12244	6.5
339.15939	3.6
340.12808	2.3
341.17444	9.7
342.11096	5.3
343.11789	18.2
344.12341	3.8
350.15411	2.0
353.13837	31.0
354.14560	6.2
357.13339	22.5
367.15695	2.3
368.16165	94.2
369.16965	65.9
381.17178	3.6
384.15616	11.8
399.18036	100.0
400.18231	8.0
422.96338	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83149	1.5
53.92131	1.8
57.19677	1.6
67.05495	2.4
69.07077	2.7
69.32867	5.8
69.33287	4.8
81.07046	2.8
83.08621	1.9
91.05493	6.1
93.07064	2.2
95.08615	2.0
103.66573	1.8
105.07005	2.3
109.10207	1.8
119.08591	1.7
159.11667	1.8
175.04668	1.5
181.06540	1.9
181.10233	1.6
195.08020	3.2
196.86162	1.6
197.05949	2.6
211.07455	2.3
220.08871	1.6
223.80766	1.9
225.05553	3.0
225.09021	3.5
227.06999	2.5
239.07162	3.1
241.04987	2.5
241.08649	3.9
243.06490	2.0
248.08191	2.8
249.09363	2.3
251.06908	1.9
251.10703	3.1
252.07753	1.8
253.08504	3.1
254.05618	1.7
254.09305	2.8
255.06477	8.1
256.07285	6.8
257.08075	4.9
263.10696	4.5
264.11465	4.4
265.08624	3.9
265.11938	2.4
267.06519	3.6
267.10129	2.1
268.07291	3.7
268.10913	4.4
269.04407	1.9
269.08197	5.7
270.05362	2.3
270.08786	3.0
271.05972	2.2
272.06696	4.5
277.08588	4.3
278.12869	3.5
279.10199	6.3
279.13806	5.3
280.07849	2.0
280.10883	5.2
281.08093	1.7
283.06094	2.7
283.09711	2.9
284.06912	7.0
284.10150	2.5
285.04337	2.9
285.07565	9.5
285.10760	2.5
286.08374	2.1
287.09293	2.3
291.10129	6.3
292.10968	2.4
293.08286	3.1
293.11615	5.2
294.12479	4.6
295.09708	4.2
295.13239	9.0
296.10364	2.8
297.07611	8.0
297.10950	2.4
298.08435	2.8
299.05762	2.1
299.09143	23.4
299.12488	1.7
300.06403	7.8
300.09393	2.0
306.12518	6.9
307.09619	6.5
307.13275	7.9
308.10330	5.0
308.13858	2.0
309.11423	3.6
309.14731	4.7
310.12082	2.3
310.15585	2.7
311.09164	5.9
311.12619	3.3
312.09927	16.6
313.07095	4.6
313.10623	7.1
314.07819	2.4
315.08685	19.4
316.09381	14.1
321.11230	3.0
322.11972	10.3
323.12720	19.7
325.10669	7.3
325.14282	3.0
326.07819	3.2
326.11490	23.1
326.15015	3.1
327.08514	5.0
327.12115	4.5
328.09424	7.1
329.10165	8.0
330.10959	63.6
331.11450	12.0
335.13007	2.4
336.13638	2.4
337.10855	2.4
337.14328	36.9
338.11310	2.2
338.14972	16.5
339.12149	6.9
339.15799	3.2
341.09906	2.9
341.17542	10.0
342.10913	6.0
343.11865	20.9
344.12247	3.1
351.12399	1.8
352.13370	1.9
353.13852	25.2
354.14465	5.3
355.11642	5.3
356.12177	2.1
357.09238	1.9
357.13367	27.6
358.13696	2.3
367.15436	4.0
368.16193	87.0
369.16956	60.8
370.17554	4.2
384.15729	13.6
398.15509	2.6
399.18195	100.0
400.18036	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07087	1.6
69.40824	1.4
98.23434	3.4
155.08438	1.4
161.52501	1.3
173.09637	1.8
181.08575	1.7
182.94878	1.4
197.06001	2.5
203.10959	1.6
203.16112	1.4
210.06865	1.7
211.07498	3.4
213.05603	2.1
219.08113	2.7
220.08650	2.0
221.09692	2.4
225.05571	1.9
225.09138	3.1
227.07043	5.6
229.08548	1.6
231.08113	1.8
233.09697	6.3
235.07536	3.5
236.30516	1.4
237.09038	2.9
238.06041	1.5
239.07153	3.0
239.10442	1.8
241.05194	2.8
241.08371	1.9
242.05643	2.1
247.07602	3.7
248.08430	1.7
249.09077	7.8
250.09842	4.7
251.10747	2.8
253.04832	1.6
253.08595	3.3
254.09406	3.0
255.06573	8.5
256.07315	5.2
257.04489	2.6
257.08124	4.4
261.09137	7.7
262.09924	5.7
263.07135	4.7
263.10654	7.6
264.07904	3.7
264.11432	5.7
265.08643	5.2
265.12384	2.3
266.09320	2.7
267.06619	3.8
267.09909	2.1
268.07553	2.2
268.10944	2.1
269.08099	5.8
270.08893	3.9
271.06024	2.8
271.09708	3.2
272.06906	5.2
273.07483	3.1
273.48566	1.4
275.10666	5.6
276.08188	1.7
276.11356	3.1
277.08636	8.0
277.12238	6.9
278.09399	11.1
278.12579	3.0
279.07037	2.8
279.10141	9.9
279.13779	4.5
280.10999	3.5
281.07993	2.7
281.11575	2.0
283.06140	2.3
283.09637	3.6
284.06821	5.5
285.04419	2.5
285.07553	7.3
285.10501	2.3
289.08691	3.5
290.09454	2.8
291.07205	1.6
291.10077	9.4
292.07880	2.0
292.10785	8.2
293.08105	4.8
293.11758	21.7
294.08987	3.4
294.12320	4.2
295.10098	2.6
295.13254	6.4
296.07010	2.3
296.10297	2.2
297.07657	3.4
298.08310	5.2
299.09128	18.6
300.06320	5.9
300.09586	3.3
301.07120	5.5
303.10052	2.3
304.10757	3.3
305.08121	4.2
305.11804	9.4
306.09039	3.0
306.12469	9.2
307.09619	12.0
307.13284	10.3
308.10455	1.8
308.13989	3.4
309.07794	1.9
309.11179	8.1
309.14838	3.8
310.15683	2.1
311.09152	6.1
311.12543	2.0
312.09839	11.7
313.07324	3.0
313.10825	4.6
315.08673	16.6
316.09293	14.7
319.09793	2.6
320.10471	5.2
321.11215	26.3
321.14813	2.7
322.08435	2.8
322.11880	12.3
323.09100	6.1
323.12817	12.2
324.10077	2.7
324.13596	2.9
325.10809	3.2
325.14377	4.2
326.11426	15.5
327.08719	3.3
327.12314	2.6
328.09756	3.3
329.10211	4.6
330.10956	40.1
331.11703	22.4
332.12054	1.8
335.12735	18.7
336.13422	8.1
337.10690	10.7
337.14380	28.4
338.11420	4.6
338.15070	9.4
339.12250	4.4
339.15909	9.0
341.17563	5.3
342.11050	3.9
343.11813	11.0
352.13049	5.5
353.13791	43.4
354.14264	8.1
357.13361	15.1
367.15424	35.0
367.19800	3.1
368.16177	100.0
369.16977	39.6
370.17575	2.8
384.15631	10.3
399.18030	89.5
400.18433	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.4
59.48482	1.5
63.86699	1.7
69.07091	2.2
69.11663	13.4
72.18443	2.1
74.57153	1.4
81.99992	1.8
83.04981	2.4
88.07648	4.9
102.09231	1.8
144.46565	1.7
165.07042	2.7
169.06497	1.9
179.08594	4.1
181.06459	3.0
183.04417	2.2
184.05208	2.0
189.09184	1.6
193.06519	2.1
195.08066	3.0
196.05386	1.9
197.06093	7.5
198.06691	3.9
199.07304	2.3
205.06595	1.8
207.08122	3.9
209.06111	2.5
209.09659	2.5
210.06757	5.3
211.07523	9.5
212.04758	2.1
213.05479	2.3
214.06310	2.2
219.08133	3.2
220.05119	1.8
220.08894	3.4
221.05962	2.7
222.06732	2.3
223.07608	2.9
223.11227	1.8
224.08417	6.3
225.03581	1.7
225.05473	8.3
225.09203	5.4
226.06282	4.9
227.07094	6.7
229.05072	2.5
229.08705	4.3
233.09639	4.2
235.07640	6.8
235.11180	3.2
236.08282	3.0
237.05551	4.9
237.09132	5.8
238.06294	4.4
239.07028	8.8
239.10771	4.6
240.07721	3.9
241.05046	6.1
241.08693	7.2
242.05742	4.7
243.06650	3.0
247.07661	2.7
248.08394	3.0
249.09073	8.3
250.06282	3.3
250.09914	2.3
251.07089	6.6
251.10851	4.9
252.04250	2.1
252.07999	6.7
253.04985	5.3
253.08658	5.1
254.05853	8.1
254.09412	5.5
254.40195	1.6
255.06628	18.3
255.10295	2.6
256.07260	10.9
257.04492	4.1
257.08173	6.7
261.09195	2.7
263.07227	4.6
263.10791	6.6
264.07935	5.6
264.11557	7.8
265.05109	1.5
265.05957	1.5
265.08701	12.0
265.12256	3.0
266.05804	2.2
266.09320	3.8
267.06528	7.1
267.10147	12.3
268.07358	9.5
268.11099	2.1
269.05231	2.2
269.08051	13.7
270.05487	2.9
270.08859	4.6
271.06116	5.9
271.09299	1.9
272.06900	7.3
277.08755	4.9
277.12271	2.3
278.09494	4.1
278.13245	2.3
279.06842	4.3
279.10229	11.1
279.13907	5.0
280.07758	3.7
280.11069	6.7
280.43457	1.9
281.04776	3.9
281.08133	10.6
281.11249	2.6
282.05377	2.4
282.08911	6.2
283.06186	5.6
283.09775	8.9
284.06888	12.3
284.10110	2.7
285.04193	4.2
285.07666	14.9
285.10721	2.7
291.07108	2.1
291.10284	6.8
292.07535	2.6
292.10922	5.7
293.08200	7.3
293.11856	7.4
294.09027	3.3
294.12616	2.2
295.06097	5.1
295.09744	21.1
295.13419	15.8
296.06906	8.6
296.10379	6.7
297.07684	16.9
297.11285	7.8
298.08417	4.6
299.05682	6.0
299.09088	40.0
300.06396	11.5
300.09601	4.1
301.07205	3.8
305.08279	3.4
305.11591	2.8
306.09341	2.6
306.12363	8.0
307.09753	12.7
307.13370	10.6
308.06937	3.3
308.10437	7.4
309.07684	4.8
309.11328	6.4
309.14944	4.3
310.08368	4.8
310.15448	3.5
311.05881	3.9
311.09247	13.4
311.13055	4.5
312.06177	4.1
312.09784	27.5
313.07068	9.7
313.10767	8.8
314.07803	4.0
315.05319	3.5
315.08633	28.3
315.12012	2.5
316.09286	18.5
321.07852	2.5
321.11392	5.6
322.11847	13.7
323.09137	3.4
323.12708	24.7
324.09949	6.0
324.13370	2.3
325.10687	30.7
325.14508	5.1
326.07861	7.7
326.11606	35.8
327.08704	25.8
327.12314	13.0
328.09201	9.6
329.10217	13.8
330.06992	3.4
330.10971	70.8
331.11526	13.8
336.10043	2.6
337.10712	7.9
337.14255	38.8
338.11514	3.8
338.15216	15.3
338.34406	4.8
339.12430	13.1
339.15897	3.2
340.09366	3.8
340.13068	3.2
341.10162	5.7
341.13898	3.2
341.17609	7.7
342.11002	10.3
343.11737	19.4
344.12460	3.2
350.11462	3.5
351.12247	14.4
353.13818	35.0
354.14594	9.4
355.07681	1.3
355.11761	34.3
356.12469	5.4
357.09573	7.5
357.13361	38.9
358.14032	3.8
367.11621	2.4
367.15829	2.9
368.11618	4.3
368.16208	90.4
369.13232	17.2
369.17111	57.5
370.17496	5.1
371.14893	2.8
381.13318	8.6
381.17618	2.4
384.11615	3.2
384.15915	11.4
399.14108	11.9
399.18243	100.0
400.18518	13.0
400.37918	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08770	1.4
58.50823	1.2
69.07072	4.2
69.68353	6.8
70.06583	1.4
75.04483	1.7
80.07279	1.4
80.18976	1.5
81.07040	1.4
88.07655	2.2
95.08606	1.8
97.10153	1.8
119.08531	1.8
122.77650	1.5
129.07008	1.7
155.08531	1.8
165.07005	2.3
165.77444	1.4
169.06512	2.8
171.25192	1.5
181.06462	3.1
182.07353	1.6
193.06581	2.7
195.08125	3.2
197.06020	5.6
198.06717	4.7
205.06667	1.7
209.05968	2.1
209.09645	3.2
210.06914	3.9
211.07553	7.2
212.04868	1.9
212.08246	2.1
213.09198	2.4
214.06290	3.1
219.08109	3.0
220.08861	2.3
221.05978	1.8
221.09782	2.3
223.07484	2.2
223.11383	2.2
224.08290	3.5
225.05441	7.4
225.08978	2.6
226.06262	4.8
226.09744	1.7
227.07115	6.1
229.08617	3.8
233.09583	3.4
234.10300	2.0
235.07628	2.5
235.11200	3.8
236.08276	1.9
237.05542	2.0
237.09102	4.2
237.12669	1.5
238.06110	2.4
238.09892	3.5
239.06990	7.8
239.10625	3.3
240.07828	4.7
241.05029	6.0
241.08685	5.1
242.05772	6.1
242.09135	1.9
243.06607	2.6
247.07515	3.1
248.08342	3.8
249.09149	6.2
250.09813	2.5
251.07056	4.5
251.10664	4.4
252.07895	6.7
253.05136	4.5
253.08559	7.5
254.05733	7.4
254.09424	6.6
255.06590	15.7
255.10112	2.5
256.07285	10.5
257.04501	4.3
257.08038	10.8
261.09229	4.7
262.09918	3.1
263.07172	3.5
263.10620	8.7
264.07953	4.3
264.11554	6.4
265.08688	8.1
265.12250	3.2
266.05814	4.1
266.09241	3.3
267.06580	8.2
267.10144	9.0
267.13303	2.1
268.07437	4.4
268.11011	6.3
269.04745	2.6
269.08203	12.5
269.11414	2.7
270.05264	4.7
270.08804	4.4
271.06100	4.8
272.06863	8.4
275.10748	3.2
277.08707	5.6
277.12167	2.2
278.09381	4.8
278.13025	2.6
279.07071	2.6
279.10229	13.1
279.13837	4.5
280.10974	6.7
281.04803	3.1
281.08136	9.3
281.11456	2.8
282.05841	1.9
282.08942	4.5
283.06079	6.3
283.09512	7.4
284.06873	13.1
284.10309	3.7
285.04041	4.0
285.07635	16.0
285.10989	2.8
286.08353	2.6
287.09235	4.2
290.09256	2.1
291.10049	10.4
292.07898	1.9
292.10980	6.5
293.08261	7.0
293.11765	5.0
294.08963	2.3
294.12381	3.6
295.06375	3.2
295.09741	9.9
295.13400	13.2
296.06808	4.4
296.10449	4.7
296.13785	2.2
297.07681	14.6
297.11273	7.0
298.05197	1.6
298.08347	5.9
299.05630	5.1
299.09106	41.5
300.06390	12.9
300.09766	7.1
301.07114	3.5
305.08386	2.3
305.11877	2.9
306.12378	11.4
307.09717	8.8
307.13376	8.9
308.10486	6.8
308.13858	2.4
309.07767	3.0
309.11237	7.6
309.14914	8.3
310.08392	3.9
310.15533	3.3
311.05667	3.1
311.09213	10.1
311.12930	6.1
312.06369	3.5
312.09857	26.6
313.07147	6.5
313.10693	10.0
314.07941	5.5
315.08572	27.1
315.12051	2.2
316.09341	17.0
317.09909	1.8
321.07852	1.7
321.11267	6.4
322.11929	14.0
323.09232	2.6
323.12689	25.2
324.09885	3.3
324.13239	3.3
325.10773	16.2
325.14487	4.8
326.07874	9.3
326.11606	34.2
327.08655	14.1
327.12265	12.7
328.09232	8.9
329.10233	11.7
330.10956	75.4
331.11548	13.2
336.09906	2.1
336.13632	3.9
337.10696	5.6
337.14301	49.4
338.11295	3.0
338.14951	20.3
339.12256	14.1
339.15741	2.1
340.12897	2.5
341.10092	2.0
341.13757	2.7
341.17374	11.6
342.11035	8.0
343.11758	20.1
344.12408	3.1
351.12469	5.2
352.12933	2.0
353.13849	32.2
353.17935	2.5
354.14386	8.4
355.11743	22.3
356.12360	3.4
357.09613	6.0
357.13437	29.9
358.13681	2.5
367.15576	4.3
368.16183	85.1
369.13092	6.5
369.16971	81.2
370.17554	6.2
371.14902	2.5
381.16989	2.2
384.15906	10.6
385.16187	2.4
399.14307	7.5
399.18185	100.0
400.18723	10.3
400.37927	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19137	0.7
60.04241	0.7
61.58938	0.8
69.07067	1.8
69.15702	5.9
69.56297	0.7
85.10244	0.8
98.23316	1.5
121.56535	0.7
133.06424	0.8
141.07071	0.9
159.08020	1.3
165.05571	1.0
165.06979	1.0
169.06512	3.6
179.06934	0.9
181.06429	1.3
181.08606	1.7
183.08087	1.7
191.08595	0.9
195.08087	1.9
196.05159	0.8
197.05960	4.2
197.09598	1.7
198.06732	2.9
199.07515	1.9
203.08690	1.1
205.06590	1.0
207.08113	1.6
209.06107	1.9
209.09569	2.1
210.06860	0.9
211.07503	5.0
213.05527	2.4
213.09120	1.2
214.06203	3.9
215.06903	1.3
217.10190	1.1
219.08029	2.5
220.09096	1.1
221.05977	0.9
221.09573	2.2
223.07510	2.6
223.11252	1.4
224.08264	1.9
225.05502	3.2
225.09082	4.1
226.06245	3.6
227.07069	4.9
228.07617	2.0
229.05084	1.3
229.08495	4.0
231.08086	1.6
233.09592	3.2
234.06879	1.2
234.10439	1.2
235.07564	3.5
235.11191	2.3
236.08308	1.8
236.11955	1.7
237.05392	2.0
237.09131	2.9
238.06235	1.9
238.09933	2.2
239.07053	3.9
239.10713	1.5
240.07779	3.3
241.04953	4.4
241.08574	3.6
242.05644	4.7
242.09367	1.7
243.06494	2.1
247.07568	2.6
247.11150	1.5
248.08342	3.5
249.09059	7.1
249.12828	1.4
250.06245	1.4
250.09886	3.6
251.07050	3.6
251.10625	4.8
252.07846	2.4
252.11296	1.5
253.04987	2.9
253.08685	3.7
253.12201	1.4
254.05724	3.6
254.09418	4.4
255.06560	11.9
255.10144	3.6
256.07278	9.8
257.04495	3.5
257.08038	9.5
261.09109	3.4
262.09842	2.6
263.07230	1.9
263.10675	9.8
264.07864	3.3
264.11469	7.2
265.05887	1.1
265.08627	6.4
265.12070	4.2
266.05667	1.9
266.09402	3.1
266.12769	0.9
267.06631	6.2
267.10120	4.6
267.13705	2.3
268.07306	3.7
268.10977	2.8
269.04486	2.7
269.08112	9.5
269.11368	1.5
270.05185	3.5
270.08902	3.3
271.06006	3.0
271.09637	2.7
272.06824	8.8
272.10150	1.8
272.34378	0.8
275.07123	1.8
275.10629	2.9
276.11307	2.0
277.08643	5.1
277.12216	3.5
278.09406	7.0
278.12988	2.7
279.06674	2.7
279.10202	13.8
279.13788	6.7
280.07635	1.4
280.10959	6.4
280.14133	1.6
281.08096	7.7
281.11688	3.3
282.05420	1.7
282.08868	3.2
282.12482	0.9
283.06018	4.0
283.09692	5.9
284.06876	10.5
284.10019	1.4
285.04019	3.1
285.07581	10.9
285.11188	3.1
286.04883	1.2
286.08246	1.8
287.08875	1.7
289.08566	1.3
290.09488	1.2
291.10104	12.2
292.07434	1.6
292.10931	6.1
293.08096	5.0
293.11722	10.1
294.08881	4.6
294.12506	5.3
295.06519	1.4
295.09708	5.2
295.13342	14.8
296.07025	1.7
296.10355	3.9
296.13553	1.5
297.07599	9.0
298.08371	4.2
299.05646	3.3
299.09100	39.8
300.06305	10.6
300.09723	4.4
301.07031	3.4
301.10318	1.1
305.08081	2.2
305.11740	3.5
306.08817	3.1
306.12527	8.6
307.09634	10.9
307.13287	8.6
308.10406	5.1
308.13840	1.9
309.07550	2.8
309.11203	8.2
309.14896	6.6
310.08228	1.9
310.11987	2.9
310.15677	3.8
311.09137	7.9
311.12778	4.4
311.16226	1.5
312.09885	21.7
312.13492	1.5
313.07025	5.2
313.10620	10.0
314.07849	3.7
314.11197	1.2
315.08630	27.2
316.09366	15.6
317.09705	1.2
320.10449	2.4
321.11179	12.0
322.08511	1.2
322.11942	16.5
323.09073	3.1
323.12704	24.3
324.09836	2.5
324.13409	3.5
325.10706	6.3
325.14355	6.0
326.08105	1.2
326.11481	26.9
326.15073	2.6
327.08594	4.2
327.12192	5.0
327.15692	1.4
328.09393	5.9
329.10110	7.8
330.10968	63.7
331.11566	11.8
335.12793	2.5
336.13519	14.0
337.10681	9.1
337.14279	43.8
338.11322	4.2
338.15036	15.5
339.12244	10.2
339.15909	4.8
340.13013	1.1
340.16745	1.3
341.10196	2.8
341.13773	1.5
341.17377	9.8
342.10980	6.6
343.11752	18.8
344.12329	2.8
351.16162	1.0
352.13092	8.1
353.13797	33.6
354.14413	6.1
355.11771	3.8
356.12445	2.1
357.13257	21.9
358.13699	2.2
367.15515	8.1
368.16171	86.1
369.13739	4.1
369.16977	64.6
370.13452	1.3
370.17548	6.1
371.14725	1.2
381.16968	1.8
384.15607	11.3
385.15906	1.1
399.18039	100.0
400.18445	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.4
57.07083	3.1
67.05502	1.8
69.07066	3.9
69.23061	10.3
70.06611	1.9
81.07071	3.2
85.38353	1.4
88.07620	4.8
91.05476	4.4
95.08617	2.4
101.09687	1.4
105.07049	2.8
119.08624	3.1
121.10191	1.6
124.59119	1.4
141.06981	1.7
143.21223	1.6
145.10165	1.5
152.52280	1.6
157.10184	1.5
165.06989	2.9
169.06490	2.6
173.14626	1.5
179.08540	1.5
182.07205	2.3
183.07994	2.0
196.05244	1.7
196.08807	1.6
197.05945	6.7
198.06750	3.7
199.07574	4.5
207.08185	1.9
208.08836	2.3
209.05968	2.8
210.06802	3.5
211.07611	6.6
213.05611	1.8
213.09076	2.5
214.06328	3.1
219.08121	3.7
220.08882	2.4
223.07620	3.8
224.08394	3.5
225.05521	4.5
225.09128	4.8
226.06277	5.7
227.06966	7.6
228.07733	1.6
229.08522	3.0
233.09700	3.8
234.06723	2.5
235.07599	4.1
235.11115	3.4
236.08389	3.6
237.05505	1.8
237.09138	5.2
238.06284	3.1
238.09665	3.0
239.07002	7.9
239.10797	5.4
240.07863	2.6
241.04913	7.2
241.08723	6.5
242.05791	5.4
247.07518	1.8
247.11382	2.0
248.08450	3.1
249.09061	8.0
250.06427	1.6
250.10011	2.2
251.07086	6.9
251.10849	4.3
252.07886	5.7
252.11420	2.0
253.04990	3.0
253.08638	6.4
254.05812	5.3
254.09444	5.5
255.06627	15.4
255.10063	2.7
256.07324	11.0
257.04565	4.3
257.08002	7.7
261.09250	3.0
262.09885	2.7
263.07187	3.5
263.10770	9.6
264.08066	3.2
264.11502	10.0
265.08734	8.3
265.12149	2.8
266.05869	2.6
266.09418	4.3
267.06671	9.2
267.09775	6.8
268.07352	7.8
268.10989	4.7
269.04532	4.4
269.08203	10.8
270.05353	4.8
270.08817	4.7
271.06021	5.0
271.09686	3.4
272.06818	8.5
275.10843	1.8
276.07986	2.2
277.08707	3.9
277.12387	2.7
278.09451	2.8
278.13153	3.0
279.06995	2.3
279.10260	12.8
279.13919	7.1
280.07437	4.0
280.10989	6.4
281.04871	2.7
281.08157	9.6
281.11435	3.2
282.05634	2.4
282.08945	5.3
283.06143	6.1
283.09790	7.1
284.06891	14.6
284.10156	3.1
285.04279	2.3
285.07544	18.0
285.10831	3.1
287.09219	2.1
291.07101	2.5
291.10065	9.3
292.07770	1.8
292.10730	6.7
293.08151	6.3
293.11829	7.9
294.08984	4.0
294.12595	4.6
295.06314	3.3
295.09714	12.2
295.13403	12.6
296.06900	4.7
296.10159	2.7
297.07675	13.9
297.11246	7.2
298.08521	3.9
299.05646	5.8
299.09097	45.4
299.12238	2.0
300.06332	13.2
300.09784	5.7
301.07135	4.5
305.08374	3.3
305.11740	2.7
306.09073	2.8
306.12372	10.3
307.09744	10.8
307.13379	9.5
308.10379	4.4
308.14011	4.1
309.07822	2.8
309.11282	8.3
309.14932	5.6
310.08340	4.5
310.12036	2.6
310.15710	4.4
311.05746	3.2
311.09225	8.8
311.12848	4.1
312.09863	25.8
313.07120	6.9
313.10757	7.1
314.07632	2.7
315.08615	28.3
315.12088	2.2
316.09348	20.8
321.11115	7.1
322.11984	15.9
323.09106	4.3
323.12662	25.4
323.16437	2.0
324.09879	3.9
324.13327	4.3
325.10736	22.5
325.14493	4.6
326.07883	6.8
326.11407	34.1
326.14795	1.9
327.05042	3.1
327.08704	11.0
327.11661	9.7
328.05954	1.6
328.09210	7.5
329.10156	12.4
330.10944	75.4
331.11469	13.0
335.12970	1.6
336.13602	4.1
337.10715	6.3
337.14285	48.7
338.11353	4.1
338.15149	15.1
339.08786	2.3
339.12323	9.3
339.15826	4.0
340.09238	2.2
341.10306	4.5
341.17203	7.1
342.10992	8.2
343.11713	21.3
344.12585	4.1
351.12277	2.9
353.13812	33.1
354.14410	6.7
355.11691	25.3
355.15649	1.7
356.12378	7.2
357.09595	6.7
357.13477	24.6
358.13742	3.1
367.15530	2.2
368.16174	95.7
369.13156	6.2
369.16983	65.9
370.17426	6.8
371.14966	2.0
384.15564	11.5
398.36252	1.6
399.14395	7.5
399.18188	100.0
399.26804	4.4
400.18552	10.5
400.37708	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18359	1.5
55.05500	3.4
57.07067	2.1
63.35103	1.6
65.04029	1.7
67.05504	3.0
69.07069	7.3
69.35252	5.0
69.35681	6.0
70.06609	2.7
79.05487	3.5
81.07066	4.3
83.04961	1.9
84.78447	1.6
85.29990	1.5
87.04488	2.7
88.07616	2.9
91.05458	4.0
93.07055	4.7
95.08627	5.4
98.22649	3.6
105.07050	6.3
107.08591	3.5
109.06515	2.7
109.10157	2.4
117.07012	2.5
119.08604	7.3
121.10117	4.0
130.07654	1.5
131.08537	1.9
132.46390	1.8
133.10107	4.7
141.06995	2.5
145.10100	3.7
147.11739	2.2
153.06972	2.5
155.08479	2.3
157.10072	3.4
159.11752	3.2
161.09647	1.8
165.05510	4.8
165.06998	2.5
169.06470	5.7
170.34685	1.9
171.11700	1.9
173.09602	3.2
179.07019	3.2
179.10788	1.9
180.07777	1.7
181.06412	2.8
181.08653	4.2
182.07338	2.0
183.08092	2.8
183.11787	2.1
187.07602	2.8
195.08200	3.5
195.10156	5.4
196.05159	2.5
197.06013	6.2
198.06737	6.2
199.03970	1.8
199.07487	4.1
201.09079	2.6
207.08087	3.5
210.06819	4.2
211.07568	7.8
212.04636	2.2
213.05473	3.1
213.09178	3.3
213.12689	1.7
214.06282	5.8
216.11493	2.2
219.08060	4.2
220.08789	2.6
221.06111	2.0
221.09599	2.6
222.06804	3.3
223.07620	4.2
224.08244	4.0
225.05438	8.4
225.09052	7.4
226.06226	6.2
226.09668	1.8
227.07037	9.2
229.05017	3.1
229.08568	5.0
231.10081	3.6
233.09618	4.1
235.07497	3.6
235.11179	3.9
236.08302	5.6
237.05417	4.2
237.09186	5.0
238.06245	4.7
238.09958	3.9
239.07043	9.9
240.07843	7.0
241.05006	8.1
241.08603	6.8
242.05759	7.9
243.06490	3.7
247.07552	4.0
248.08255	3.8
249.09128	8.8
249.12938	2.1
250.09875	4.4
251.07071	5.7
251.10628	7.2
252.07854	6.3
252.11465	3.1
253.04973	5.7
253.08650	10.0
254.05730	8.3
254.09317	6.1
255.06546	18.0
255.09940	4.3
256.07281	13.1
257.04489	6.4
257.07956	10.3
258.08572	2.4
261.09143	5.0
262.09921	4.3
263.07135	4.1
263.10648	10.5
264.07721	4.4
264.11444	8.7
265.04877	3.0
265.08636	12.0
265.11743	3.2
266.05783	2.8
266.09296	6.0
267.06540	6.7
267.10138	5.4
267.13513	2.3
268.04111	1.7
268.07251	5.9
268.10800	3.3
269.04385	3.4
269.08084	15.5
269.11014	2.2
270.05304	6.0
270.08405	3.2
271.05972	8.6
271.09567	4.0
272.06824	11.4
275.10794	2.9
277.08539	7.7
277.12195	3.3
278.09265	6.0
278.12833	3.0
279.06760	4.1
279.10168	14.2
279.13794	7.2
280.07187	6.0
280.10889	7.8
281.04773	2.9
281.08096	12.7
281.11612	4.1
282.05313	3.2
282.08807	7.1
283.06079	7.4
283.09613	9.0
284.06760	18.4
284.10062	3.6
285.04233	3.9
285.07565	19.9
286.08289	2.7
287.09167	4.8
291.07050	2.4
291.10107	13.3
292.07339	3.6
292.10941	6.1
293.08096	10.4
293.11722	7.8
294.08792	5.9
294.12421	4.9
295.06296	3.3
295.09698	12.8
295.13303	16.2
296.06824	6.1
296.10526	4.4
296.13742	2.0
297.07559	14.2
297.10849	3.0
298.08276	5.0
298.11777	2.1
299.05560	7.0
299.09088	49.2
299.12308	2.4
300.06284	16.0
300.09808	5.0
301.07181	4.4
305.11646	3.7
306.09085	2.9
306.12506	11.0
307.09665	14.8
307.13303	13.8
308.10492	8.0
308.13620	2.5
309.07617	4.5
309.11182	11.9
309.14822	7.9
310.08163	5.4
310.11826	3.5
310.15680	5.3
311.09137	13.5
311.12796	6.7
312.06403	3.0
312.09897	26.2
312.13382	2.6
313.07019	9.6
313.10651	12.3
314.07571	8.6
315.08618	34.0
316.09323	17.1
320.10440	2.2
321.11227	6.3
322.08524	3.4
322.12021	12.5
323.09116	4.1
323.12689	29.5
324.09756	4.3
324.13126	2.8
325.10590	18.0
325.14410	5.4
326.07755	5.8
326.11423	33.2
327.08588	26.7
327.12170	9.2
328.09189	11.8
329.10193	28.2
330.10974	88.4
331.11554	15.6
335.12863	3.0
336.13580	4.8
337.10724	9.5
337.14349	42.1
338.11386	3.5
338.15005	27.1
338.33841	2.7
339.12231	10.9
339.15710	3.2
340.12997	3.2
341.10205	3.7
341.13846	3.3
341.17438	12.2
342.07407	2.3
342.11032	27.1
343.11761	25.6
344.12454	4.3
351.12375	3.4
352.13058	3.1
353.10101	1.4
353.13852	35.3
354.14371	8.2
355.11652	18.6
356.12509	6.0
357.09628	5.6
357.13339	27.0
358.13831	3.3
367.11539	4.1
367.15469	4.2
368.16183	100.0
369.13370	6.8
369.17007	72.4
370.17493	5.6
371.14771	3.8
381.13181	4.7
383.10953	2.0
384.11603	3.5
384.15771	15.9
399.13913	22.0
399.18039	72.9
399.25775	11.9
400.13925	2.7
400.18784	8.7
400.38113	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67501	0.8
57.48223	0.9
62.24316	0.8
69.03442	1.0
73.71738	0.9
75.04486	1.7
83.04948	1.0
96.96894	0.8
98.22540	2.1
99.70266	0.8
125.21856	0.9
135.08035	1.0
150.06755	1.4
165.05470	4.0
165.06895	1.6
165.09100	5.0
166.91029	0.9
178.07826	1.1
181.08588	2.0
191.08553	1.5
195.06476	1.6
195.08136	1.7
202.07745	1.5
203.08615	2.0
203.10680	1.4
205.10167	1.4
206.07301	1.7
207.08063	4.7
207.11491	0.9
208.08705	1.4
209.09630	1.8
210.10437	1.1
211.07568	1.3
217.10101	1.4
218.07225	2.3
219.08075	3.7
219.10023	1.0
220.08888	5.9
221.09593	5.3
222.10339	2.1
223.07500	4.4
223.11101	2.0
225.09167	1.7
231.08047	2.0
232.08817	2.9
233.05994	1.4
233.09596	5.2
234.06850	1.8
234.10330	3.3
235.07555	9.7
235.11127	2.7
236.08229	1.8
237.09103	2.4
238.05948	1.2
238.09848	6.1
238.12167	1.1
239.10672	2.7
241.08736	1.0
246.06593	1.2
246.10330	1.0
247.07603	3.4
247.11128	1.3
248.08351	6.1
249.09085	11.8
250.09850	12.1
251.07016	10.0
251.10620	5.2
252.07774	3.2
252.11208	1.3
253.08533	2.6
253.12314	1.8
254.09167	1.7
259.07361	1.4
260.08356	1.6
261.09052	5.7
262.06299	1.8
262.09818	4.0
263.07199	7.5
263.10458	8.2
264.07791	3.2
264.11411	2.8
265.08597	5.0
265.12213	10.6
266.09372	18.1
266.12354	1.4
267.06470	1.0
267.10065	5.4
269.08026	1.1
275.07004	3.1
275.10696	2.1
276.07779	3.7
276.11203	2.1
277.08588	12.9
277.12167	3.1
278.09384	29.7
278.12701	2.6
279.06516	6.6
279.10074	13.6
280.07178	2.8
280.10773	2.9
281.08041	4.1
281.11737	6.9
282.12427	3.2
283.09760	1.8
289.08521	3.6
290.05774	1.3
290.09396	2.7
291.06503	7.2
291.10123	9.0
292.07581	1.6
292.10928	7.5
293.08118	3.9
293.11664	31.9
293.14978	1.7
294.08835	16.9
294.12354	6.7
295.06421	1.8
295.09637	14.0
295.13019	2.0
296.10226	2.6
296.13498	1.1
297.07556	2.7
298.12189	1.4
303.10226	1.0
304.10843	1.5
305.08041	6.4
305.11703	3.9
306.08795	9.4
306.12476	2.1
307.06186	1.9
307.09537	6.8
307.13330	5.4
308.07144	1.2
308.10535	2.4
308.14056	2.5
309.07565	3.3
309.11206	30.6
309.14771	4.4
310.08521	1.4
310.11905	11.0
311.09064	2.5
311.12637	2.9
312.09845	1.2
313.14420	1.0
319.09579	2.9
320.10333	5.7
321.11206	54.7
322.08231	3.6
322.11798	9.5
323.09055	6.4
323.12662	2.2
324.09805	3.2
324.13507	5.9
325.06998	1.1
325.10715	1.4
325.14297	13.6
326.11392	2.0
326.15018	2.4
327.12155	1.3
334.12036	2.5
335.12778	11.5
336.13535	100.0
337.10611	42.9
337.14142	10.7
338.11307	8.6
338.14951	2.0
339.12164	11.9
339.15924	11.2
340.12823	1.6
340.16519	7.3
341.13824	3.1
342.14532	1.8
350.15042	1.5
351.12115	2.0
352.13040	52.6
353.13770	23.0
354.14557	0.9
355.11716	7.0
367.15402	29.9
368.16165	40.8
369.12787	4.7
369.17191	1.4
371.18555	2.4
384.15735	8.5
399.18112	18.5
400.18332	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57062	0.4
55.01799	0.6
60.23128	0.5
69.03355	0.8
69.12234	1.9
69.12662	2.0
69.63288	0.5
75.04411	0.8
85.06487	0.6
86.69736	0.5
91.05422	0.6
105.06972	1.2
108.33241	0.5
119.08502	0.5
131.08508	0.5
135.11479	0.5
138.76630	0.4
145.10062	0.6
148.05136	0.6
158.70151	0.5
159.11635	0.9
165.05505	0.9
165.06911	1.1
165.09021	0.7
167.06995	0.7
169.10075	0.6
178.07713	1.1
179.08449	1.7
181.08667	2.4
181.10011	0.9
189.06889	0.8
190.07693	0.7
191.08435	1.5
192.09174	0.9
193.10072	1.1
195.07996	1.2
195.11601	0.5
197.05795	0.5
199.07480	0.5
202.07669	1.4
203.08409	2.2
203.10297	0.6
204.09190	1.4
205.10074	1.4
206.07188	1.9
207.08028	3.1
207.11600	0.8
208.08667	1.8
209.09610	1.2
210.10364	0.7
211.07506	0.9
211.11115	0.6
212.08109	0.6
216.09351	0.6
217.10094	1.5
218.07205	1.4
219.08119	3.8
219.10020	1.1
220.08763	4.6
221.05904	1.2
221.09579	3.3
222.06557	0.7
222.10211	1.7
223.07497	3.2
223.11078	1.8
224.08212	1.9
225.08994	0.9
227.06973	0.6
231.08035	1.2
232.08733	2.3
233.05872	0.7
233.09589	4.8
234.00325	0.5
234.06763	3.0
234.10321	3.3
235.05316	0.7
235.07530	9.2
235.11107	3.2
236.08263	3.6
236.11681	0.9
237.09018	2.4
237.12688	0.9
238.06129	1.0
238.09862	5.2
239.06882	0.8
239.10684	2.6
240.07748	0.5
241.08488	0.6
246.10262	0.8
247.07480	3.0
247.11023	1.6
248.08339	5.2
248.11992	0.6
249.05374	0.9
249.09097	11.2
250.06194	0.5
250.07031	0.7
250.09865	12.3
251.04590	0.7
251.07011	7.7
251.10620	5.3
252.07777	3.3
252.11310	0.9
253.08450	2.1
253.12250	2.5
254.09415	1.2
254.12798	0.7
255.06508	0.7
255.10046	1.2
259.07361	1.2
260.08362	2.9
261.09042	4.3
262.06104	1.1
262.09885	4.5
263.06973	7.3
263.10599	8.0
264.07806	4.7
264.11130	2.9
265.04883	0.6
265.08536	4.0
265.12155	10.7
266.09384	16.5
266.12601	1.5
267.06589	1.4
267.10028	7.1
268.07312	1.1
268.10724	1.7
269.08136	1.0
269.11713	0.7
270.08795	1.3
274.09756	0.7
275.06873	2.5
275.10638	1.3
276.07721	2.8
276.10986	2.6
277.05347	0.9
277.08530	10.7
277.12033	2.1
278.09387	27.0
278.12686	2.0
279.06479	7.5
279.10022	13.9
279.13303	1.1
280.07153	3.0
280.10739	2.4
281.08032	4.3
281.11649	8.2
282.08630	1.5
282.12308	3.3
283.09595	1.6
283.12802	0.7
284.10165	1.0
285.07547	0.8
285.11154	1.1
289.08636	3.1
290.05728	0.7
290.09229	2.4
291.06451	7.4
291.10095	10.5
292.07382	1.2
292.10791	6.4
293.08084	3.7
293.11664	28.4
294.05350	0.7
294.08783	14.5
294.12314	8.2
295.09625	13.9
295.13019	1.9
296.10324	2.8
297.07553	1.7
297.14822	1.2
298.12003	0.7
300.13501	0.9
303.10117	1.5
304.10870	1.7
305.08014	8.0
305.11597	1.8
306.08771	8.6
306.12488	2.2
307.05905	1.9
307.09546	6.7
307.13260	5.0
308.06857	0.9
308.10275	1.9
308.14044	1.6
309.07562	2.8
309.11224	27.4
309.14832	4.2
310.08197	1.1
310.11877	10.5
310.15302	0.7
311.09070	2.9
311.12640	2.4
312.09671	1.1
312.13129	0.7
313.10724	1.0
313.14307	0.6
315.12125	0.9
319.09579	2.6
320.10455	4.3
321.11203	50.4
322.08282	3.9
322.11774	9.4
323.09094	6.3
323.12662	2.8
324.09839	4.3
324.13525	4.9
325.07004	1.2
325.10629	2.3
325.14304	14.1
326.11346	2.2
326.14645	2.3
327.12122	1.3
329.13718	1.1
334.11960	1.1
335.12762	10.6
336.13541	100.0
337.10641	42.7
337.14102	10.5
338.11337	9.4
338.15021	1.0
339.08133	0.8
339.08963	0.5
339.12207	12.2
339.15976	9.8
340.09427	0.7
340.12866	0.5
340.16580	6.9
341.10019	0.9
341.13715	3.1
342.14462	1.8
351.12213	1.1
352.13043	52.2
353.13727	18.8
354.14401	0.8
355.11780	6.3
356.12128	0.7
356.16226	1.6
357.13092	1.1
357.16977	0.9
358.14307	0.7
367.10748	1.0
367.15411	26.3
368.16147	34.3
369.12689	4.4
369.16739	2.6
370.13712	0.9
371.18613	2.5
384.15723	7.6
385.16315	0.9
399.18066	20.2
399.25867	0.9
400.18515	1.2
417.87573	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.0
56.13500	1.5
59.58122	1.4
64.45204	1.5
67.05527	1.8
70.53684	2.4
70.54031	3.5
71.08640	1.9
79.05502	2.8
79.51639	1.4
81.07088	2.4
82.76283	1.5
83.04961	7.5
91.05493	3.0
93.07015	2.3
95.08588	4.8
100.11217	1.8
105.07053	3.9
107.08562	2.1
111.04430	2.2
119.08565	2.4
121.10181	1.5
129.07060	1.6
131.08540	1.7
137.05966	1.6
143.08562	2.2
145.06403	1.9
153.07072	1.8
153.08748	1.6
155.08554	15.8
157.10152	1.6
159.11716	2.4
165.07022	4.4
167.08566	1.7
173.05829	1.5
178.07745	1.7
179.08511	2.5
181.08568	2.5
181.09999	2.1
191.08578	2.5
192.09361	4.0
193.10156	5.6
195.11726	3.1
203.08629	3.6
203.10641	2.8
204.09428	2.1
205.10046	2.5
207.08087	2.0
207.11607	10.3
213.05502	2.4
215.08604	4.6
217.10083	2.7
218.07349	2.7
219.08041	4.4
219.11739	2.4
220.12714	1.9
221.09656	3.8
227.06963	3.7
229.10170	5.5
230.10858	5.2
231.08086	3.9
231.11729	3.7
232.08853	3.2
232.12373	1.9
233.09613	6.2
233.13272	2.5
234.06830	3.4
234.10190	2.2
235.07584	8.0
235.11131	1.9
236.08247	2.7
243.11623	6.7
244.12437	5.8
245.13225	5.6
246.06729	3.0
247.07542	6.2
247.11201	5.7
248.08263	5.2
249.05299	2.1
249.09074	12.9
250.09894	10.8
251.07008	3.6
251.10646	4.5
252.07744	2.4
255.06560	7.8
255.11728	2.4
256.07269	1.9
256.12399	2.8
257.13251	5.0
258.14041	5.3
259.07684	3.6
259.14880	8.9
260.08414	4.8
260.15598	4.3
261.06165	2.0
261.09042	16.2
262.09808	10.4
263.07050	7.6
263.10669	9.6
264.07663	4.9
264.11017	2.0
265.04855	2.3
265.08621	4.1
265.12170	5.4
266.09351	2.6
267.10312	2.6
270.08850	4.7
270.14014	2.7
271.09808	2.7
271.14838	5.1
273.07489	2.8
273.16156	2.3
274.09930	3.7
275.07034	5.5
275.10648	6.9
276.07962	2.9
276.11343	6.4
277.08612	18.9
277.12222	13.2
278.09409	25.6
279.06528	5.1
279.10071	9.8
281.08514	2.4
281.11649	3.5
283.06082	2.8
284.15396	1.6
285.16406	10.0
286.16956	2.0
287.18027	1.9
289.08594	8.3
290.09256	5.6
291.06796	3.4
291.10153	19.2
292.07642	3.3
292.10706	12.4
293.08200	5.0
293.11664	51.5
294.08841	5.3
294.12097	5.8
295.09662	4.9
295.63040	1.7
298.08353	4.4
299.09143	3.4
300.18637	9.4
301.07001	8.0
301.10657	2.4
303.10135	5.2
304.10889	7.7
305.08081	12.5
305.11703	18.9
306.08774	10.3
306.12323	6.7
307.09589	17.0
307.13263	16.6
308.10452	2.9
308.13940	4.1
309.11227	10.9
309.14685	3.1
310.11884	2.5
311.09290	1.8
313.10550	3.8
316.09247	9.4
317.09964	2.4
319.09683	4.3
320.10434	13.9
321.11221	58.8
321.14557	2.2
322.08203	3.7
322.11847	12.5
323.09094	8.4
323.12482	3.4
324.13754	3.2
324.17642	1.8
325.10681	3.6
325.14310	4.5
329.10275	2.1
331.11758	38.6
332.12051	3.5
334.11804	2.6
335.08911	3.1
335.12762	41.2
336.13425	23.2
337.10620	22.7
337.14371	16.3
338.11380	7.6
338.14981	3.0
339.12189	3.1
339.15964	15.7
340.16373	1.9
344.12512	2.2
352.13162	15.3
353.13834	66.1
354.14297	5.2
367.15421	61.7
368.16156	100.0
369.12778	3.8
369.17102	10.0
384.15677	6.1
399.18021	50.3
399.23184	63.0
400.18317	7.0
400.23611	8.6
404.99799	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.7
57.03422	7.8
57.07072	5.2
66.73210	5.3
67.05493	22.7
69.03429	10.6
69.07066	7.8
71.04987	16.8
79.05487	18.5
81.07059	27.6
85.02900	16.2
91.05481	29.7
93.07048	26.9
95.04964	12.4
95.08591	22.7
97.06537	14.0
99.07114	5.6
105.07040	43.3
107.05007	6.3
107.08608	22.0
109.06509	10.5
109.10179	11.4
111.04436	8.3
113.09663	7.0
117.07030	11.2
119.08569	31.8
121.06484	15.4
121.10133	12.2
123.08068	22.1
128.36877	5.6
129.06958	13.2
131.08592	37.1
133.10150	16.6
135.04393	7.3
143.08519	16.0
145.10127	23.0
147.08029	12.8
147.11697	25.4
149.06065	7.1
149.09647	11.6
153.01801	8.0
157.10132	13.8
159.11751	14.0
161.09616	9.8
161.13254	9.7
163.07617	7.1
163.11186	8.0
169.10149	7.7
171.11736	10.0
173.13260	36.7
175.11229	13.0
177.09229	8.2
180.23192	5.7
181.10118	10.3
183.11687	7.9
191.14357	14.4
193.12276	14.2
195.11816	6.6
199.11255	9.6
201.12816	16.0
201.16479	6.8
217.05011	7.9
219.13805	69.6
229.04930	6.9
233.99672	5.6
237.14854	25.2
237.18506	14.6
238.91618	6.2
245.04581	10.3
250.09720	6.3
251.14288	6.3
273.03918	8.7
281.19022	10.7
281.57996	6.4
283.20273	7.3
299.02454	7.1
299.05557	12.8
301.03421	18.1
303.04947	9.6
309.18405	41.3
311.20239	6.0
313.03458	27.2
314.03827	7.6
327.19516	20.3
339.19504	14.9
355.08151	27.2
381.20438	12.0
399.10760	100.0
399.15796	13.1
399.21677	62.4
400.11087	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.05511	2.8
57.07077	0.6
59.04992	0.6
61.96379	0.4
65.03931	0.8
67.05509	3.8
69.03422	1.2
69.07069	1.4
71.04996	0.4
71.30940	0.8
79.05487	3.0
81.07051	6.9
83.04980	7.9
83.08624	0.8
91.05482	5.1
93.07040	8.4
95.04962	1.6
95.08604	6.5
97.02934	0.7
97.06530	1.5
97.10172	0.6
105.07021	6.2
107.08597	4.4
109.02946	0.4
109.06532	1.1
109.10165	1.7
111.04453	3.3
111.08080	1.7
112.20502	0.4
115.05463	1.3
117.07046	1.5
119.08595	4.5
121.06485	0.7
121.10168	2.3
123.04436	0.4
123.08077	0.9
123.11709	1.5
128.06172	0.9
129.07002	1.7
130.07768	0.6
131.08551	3.4
133.10091	3.3
135.08041	1.0
135.11665	0.6
141.06998	1.2
142.07765	0.8
142.65302	0.4
143.08554	1.7
144.09317	1.1
145.06487	0.5
145.10109	2.5
147.08041	0.6
147.11725	1.1
151.11195	0.5
152.06229	0.8
153.01822	0.6
153.06982	3.6
154.07791	1.4
155.08549	25.5
156.09113	1.3
157.10077	1.4
159.08066	0.7
159.11681	3.1
161.09622	0.9
161.13338	0.6
163.11182	0.5
165.07005	3.4
166.07753	1.1
167.08554	1.4
169.10078	2.5
172.08789	0.5
173.09656	1.0
175.11148	0.9
178.07779	4.2
179.08553	3.8
180.09331	3.0
181.10083	1.5
183.11722	0.8
185.09628	0.5
187.11186	1.3
191.08562	1.9
191.10405	0.5
192.09319	8.4
193.10107	12.7
194.10805	2.9
195.11708	7.0
197.13174	0.7
201.16452	0.7
202.07832	0.8
203.08543	2.2
204.09340	1.9
205.10126	4.4
206.10876	3.5
207.11690	14.1
208.12253	1.2
209.13358	0.5
215.08534	4.7
216.09308	2.3
217.04832	0.5
217.10172	3.8
218.10939	1.9
219.11662	5.7
220.12204	1.1
221.13278	1.7
223.11177	0.6
228.09395	1.9
229.10112	9.6
230.10896	6.5
231.11656	6.0
232.12418	2.3
233.13206	3.1
241.10156	1.8
242.10907	3.3
243.11699	10.6
244.12474	9.6
245.13232	11.4
246.13904	2.8
247.14772	1.6
255.11658	3.7
256.12418	5.7
257.13266	8.3
258.13986	6.2
259.14801	11.2
260.15558	6.3
261.16306	2.7
262.17029	0.9
267.11679	0.8
268.12573	0.6
269.13260	2.0
270.13998	6.6
271.14767	7.3
272.15555	3.3
273.04172	1.2
273.13290	0.6
273.16327	3.2
274.16904	0.6
275.14081	0.6
281.13171	1.0
282.14105	1.0
283.11487	0.5
283.14789	1.8
284.15445	1.4
285.12952	1.1
285.16345	16.4
286.16779	2.7
287.14703	0.8
287.17899	3.7
288.18317	0.6
289.19559	1.9
296.15302	0.8
297.16324	1.0
298.16995	0.9
299.17935	3.3
300.15286	1.0
300.18713	10.8
301.03546	0.6
301.15891	0.8
301.19180	1.9
302.04147	1.8
303.13770	0.5
311.17911	1.0
323.18204	0.5
325.19467	0.9
369.18323	0.6
381.18198	0.7
381.22501	1.1
384.21173	0.6
399.11487	4.6
399.23193	100.0
400.23590	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.05509	2.1
58.85498	0.3
64.73199	0.3
65.03955	0.4
67.05498	2.7
69.03410	0.6
69.06342	2.4
69.07042	0.3
79.05502	1.3
81.07058	1.2
83.04476	0.4
83.04981	6.8
91.05484	3.3
93.07054	3.1
95.04972	1.0
95.08611	3.4
95.09172	0.4
97.06564	0.5
105.07035	3.1
107.08620	1.9
109.06518	0.5
109.10196	0.3
111.04442	3.4
111.08108	1.7
113.06036	0.4
115.05457	0.9
116.06270	0.4
117.07014	1.2
119.08583	2.5
120.08924	0.4
121.06536	0.3
121.10152	0.7
123.08042	0.8
125.75004	0.3
127.74544	0.3
128.06242	1.1
129.06990	1.4
130.07782	0.5
131.08600	1.8
133.10146	1.3
135.08035	0.3
141.07011	0.7
142.07846	0.8
143.08586	1.6
144.09256	0.5
145.06474	0.5
145.10109	1.6
147.11734	0.6
152.06261	0.3
153.06978	3.4
154.07802	2.0
155.08557	26.2
156.08963	1.2
157.10152	1.2
159.11668	1.9
161.09637	0.6
161.13280	0.3
165.07021	4.5
165.64563	0.3
166.07800	0.8
167.08553	1.0
168.09334	0.5
168.42313	0.3
169.10115	1.7
171.11745	0.4
172.08865	0.4
173.09688	0.5
175.11214	0.5
178.07764	4.4
179.08563	3.6
180.09322	4.4
181.10063	1.4
183.11691	0.8
187.11197	0.6
190.07803	0.5
191.08582	1.6
191.10466	0.3
192.09337	7.1
193.10132	11.2
194.10806	2.0
195.08008	0.3
195.11707	7.2
196.12213	0.5
202.07753	0.9
203.08598	1.8
204.09337	1.3
205.10146	2.4
205.12013	0.4
206.10899	3.2
207.11690	10.3
208.12236	1.1
209.13229	0.3
215.08603	3.6
216.09282	2.4
217.10130	2.4
218.10880	2.0
219.08174	0.3
219.11716	4.0
220.12375	0.9
221.13225	1.6
227.08615	0.3
228.09262	2.0
229.10118	8.6
230.10883	6.5
231.11685	4.4
232.12344	1.6
233.13257	2.7
235.07458	0.4
238.06105	0.3
239.14273	0.6
240.09348	0.3
241.10178	1.8
242.10907	3.2
243.11697	9.4
244.12447	8.7
245.09367	0.7
245.13242	10.9
246.13927	2.1
247.14711	0.9
249.05437	0.3
251.07051	0.4
252.07623	0.4
253.10193	0.7
254.10953	0.5
255.11685	4.3
256.12424	4.7
257.13235	6.9
258.13989	6.7
259.11124	0.5
259.11676	0.5
259.14807	7.9
260.12473	0.5
260.15521	4.1
261.12808	0.5
261.16318	1.7
267.06750	0.3
267.11679	1.1
268.12421	0.7
269.13248	2.3
270.14029	6.1
271.14810	5.7
272.15497	3.1
273.12866	0.4
273.16373	2.9
274.16763	0.5
280.07285	0.6
280.12302	0.4
281.13254	0.7
282.14044	0.5
283.14819	1.5
284.15546	1.3
285.12985	1.1
285.16354	14.5
286.16852	2.1
287.14651	0.6
287.17935	2.6
288.18665	1.1
289.16360	0.5
289.19443	1.8
293.08017	0.5
294.08804	0.5
295.06079	0.8
295.09750	0.6
295.14822	0.6
296.15485	0.5
297.16309	1.1
298.17139	0.7
299.17880	2.5
300.15302	0.6
300.18677	10.8
301.16110	0.5
301.19308	1.4
303.13852	0.4
303.17325	0.5
309.07471	0.9
310.08301	0.6
310.17044	0.5
311.17612	0.7
321.11182	0.4
323.14453	0.7
323.17950	0.4
324.10098	0.5
324.18726	0.4
325.10657	3.5
325.19482	0.8
326.11096	0.5
341.10239	0.7
342.11099	0.8
353.18686	0.4
353.22635	0.5
357.13522	0.5
357.18219	0.4
367.11810	0.7
368.12460	0.5
369.18521	0.5
370.19388	0.4
371.20197	0.4
381.18005	0.4
381.22202	0.7
384.20819	0.6
399.23203	100.0
400.23569	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.3
55.05518	5.1
57.03437	4.4
67.05516	24.6
69.03440	10.5
69.07090	10.8
71.04985	7.1
71.28970	2.9
79.05501	16.9
81.03422	5.3
81.07056	50.2
83.04999	8.4
83.08644	3.5
85.02911	20.9
85.06569	2.9
89.31205	3.4
91.05476	15.8
93.07053	36.0
95.04996	6.0
95.08604	23.1
97.02921	8.2
97.06568	6.1
105.07034	30.5
107.04970	5.7
107.08591	27.6
109.06539	5.7
109.10159	20.4
111.08102	7.3
117.07108	3.2
119.08593	24.3
120.57987	3.2
121.06506	5.4
121.10138	27.2
123.04411	3.0
123.08118	4.8
123.11758	4.7
127.03903	4.0
129.06992	4.1
131.08600	12.8
133.10130	15.0
135.11725	9.5
137.06030	6.6
139.37268	3.6
142.79077	2.8
143.08543	3.2
145.10144	27.5
147.11726	7.9
151.11208	3.4
153.01900	10.8
153.05528	3.2
159.04271	3.4
159.11690	19.6
161.13272	17.6
163.11223	13.5
171.11871	3.3
173.13322	8.5
177.12781	5.8
201.05383	4.7
201.16365	23.7
204.07573	29.3
219.17453	53.5
237.18562	6.1
250.88681	3.0
355.08246	23.7
369.13235	9.3
381.13693	5.1
399.09836	6.2
399.14362	100.0
399.19199	6.0
399.22711	3.8
400.14630	13.1
420.41653	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.238
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
53.03949	0.9
55.05516	2.1
56.37452	0.6
57.03426	1.1
57.07079	0.7
67.00630	0.6
67.05509	3.3
68.99821	0.7
69.03423	3.9
69.07075	2.9
69.26682	4.0
69.27082	0.8
71.04976	0.6
79.05494	2.7
79.51906	0.5
81.07060	7.1
81.65123	0.6
83.04980	2.1
85.02914	6.2
91.05482	2.0
91.23761	0.5
92.64506	0.8
93.07049	7.6
95.04984	0.8
95.08620	3.7
97.02888	1.8
97.06536	2.3
99.08143	0.7
105.07049	3.6
107.04970	1.0
107.08606	7.3
107.10237	0.6
109.02868	0.9
109.06525	4.0
109.10162	6.9
111.08057	2.0
117.07002	1.1
119.08594	2.5
121.06509	2.4
121.10149	5.3
123.08075	4.9
123.11691	6.3
124.80225	0.6
125.09637	0.6
127.03908	1.0
131.08578	1.6
133.10143	2.3
135.08046	5.1
135.11699	8.9
137.09625	1.2
143.08571	0.7
145.04999	1.1
145.10100	2.8
147.07956	0.8
147.11685	2.1
149.09610	2.3
153.01846	7.7
159.11720	2.6
161.09648	0.9
163.06064	0.7
163.11180	13.6
175.03685	2.5
175.07521	0.7
177.12746	1.1
181.06584	0.8
181.29500	0.8
201.16389	1.4
219.17451	100.0
220.17828	6.6
229.08810	0.7
237.18472	4.9
245.04410	0.7
247.17047	0.9
249.54234	0.7
252.93417	0.7
255.06596	0.8
273.07562	2.0
294.94336	0.7
303.04993	0.7
313.03259	1.2
355.08145	2.3
381.09567	1.5
399.09866	3.2
399.14420	2.0
399.19324	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
57.03199	0.2
57.03444	2.5
59.04983	0.3
61.02917	0.5
67.56048	0.2
69.03435	1.8
69.73209	0.4
70.06592	0.3
71.01362	0.5
72.08159	0.2
73.02918	1.5
85.02906	2.1
94.04048	0.5
97.02917	1.0
98.97581	0.2
103.03942	0.3
115.03925	1.0
119.01968	0.2
119.03533	1.0
133.04967	2.0
136.06189	100.0
137.04585	0.7
137.06636	2.1
163.03873	0.5
175.04234	0.3
178.07280	0.2
185.02916	0.2
221.04814	0.3
239.09023	0.2
268.10403	12.4
269.10660	0.6
303.09213	0.5
400.14816	3.2
401.14410	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.01867	8.0
57.03436	15.0
61.02917	10.4
69.03431	25.9
69.35503	6.8
69.35924	3.0
70.06584	1.8
71.01352	2.2
71.04987	2.2
71.08627	1.5
71.45464	1.4
73.02914	13.0
81.03425	3.8
85.02906	100.0
86.03255	2.4
86.09683	3.5
87.04461	3.4
91.03967	5.3
97.02887	28.1
99.04465	3.8
102.43549	1.5
103.03989	1.8
104.10784	2.7
109.02886	7.6
115.03933	9.5
121.06505	2.0
123.08055	4.3
127.03032	3.0
127.03912	24.2
128.04216	1.5
130.82813	1.4
133.04984	16.4
145.04959	45.4
148.57860	1.4
163.06029	24.9
181.21237	1.7
184.07387	2.7
190.96516	1.4
221.11690	3.8
223.31532	1.5
239.08890	10.3
241.06857	1.8
251.14668	2.0
400.16559	1.9
401.13745	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.2
57.03435	9.9
59.62524	1.4
61.02930	10.6
69.03421	17.7
69.90445	4.3
69.90862	3.8
71.01347	1.8
71.04992	1.7
72.82436	1.8
73.02917	14.8
75.15145	1.4
81.03441	3.0
84.04511	2.2
84.20023	1.8
85.02905	100.0
86.03275	1.6
87.04476	3.6
91.03948	3.5
97.02885	27.4
99.04473	3.1
103.03932	2.3
107.04926	3.0
109.02886	5.6
115.03918	7.9
119.08627	1.6
123.08070	2.8
127.03908	22.6
130.67899	1.5
133.04985	11.7
139.03949	2.9
142.36905	1.6
145.04948	47.2
146.85391	1.6
150.07640	2.2
163.06023	22.1
167.28056	1.7
203.05225	1.8
236.81876	1.8
239.08910	22.6
251.14799	1.8
313.95834	1.8
401.13898	34.2
401.18060	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.2
56.03035	2.2
57.03445	14.0
61.02929	14.3
64.83509	1.7
69.03425	24.3
69.84030	2.3
70.75704	3.0
71.04977	2.9
73.02922	17.7
81.03431	7.6
85.02905	100.0
85.31252	1.8
86.38811	1.8
87.04469	4.7
91.03941	4.7
91.23176	2.1
97.02901	31.9
107.04934	13.0
109.02891	9.1
115.03926	12.7
127.03905	24.8
132.06583	3.3
133.04967	16.8
145.04948	54.8
163.06026	28.0
203.05354	3.6
219.24467	2.1
221.08107	4.4
238.10942	2.3
239.08980	7.0
241.07036	2.8
251.14990	2.5
287.09216	2.8
400.16876	3.2
401.14081	7.8
401.18509	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.3
55.01888	2.8
55.05504	2.6
57.03448	10.4
58.06593	2.6
61.02929	3.1
69.03425	11.2
69.60905	3.7
69.61301	5.8
70.06582	7.4
71.04996	59.0
73.02912	4.2
75.04480	4.2
81.03393	4.2
81.05471	1.8
83.04974	7.3
85.02905	100.0
85.32156	1.8
86.03264	4.8
86.09697	3.7
87.04467	3.8
95.29601	1.8
97.02892	8.5
98.23287	2.3
99.04438	3.7
103.05473	34.7
104.05792	22.2
109.02870	5.3
111.04447	3.4
123.04391	2.3
127.03906	10.6
129.05481	35.4
131.04927	69.7
132.05270	52.1
145.04959	8.0
147.06514	16.6
148.05205	9.0
149.05571	8.5
161.05986	4.8
162.06369	2.5
163.07541	29.5
164.07924	22.6
164.09166	3.8
184.07208	3.0
185.13664	2.0
195.08244	2.2
239.08902	26.8
272.91315	2.3
297.84650	2.0
384.51508	2.2
401.13611	40.6
401.18054	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91188	0.5
56.49652	0.5
58.58739	0.5
69.03446	1.1
70.06574	0.8
70.53851	0.8
70.54165	0.6
72.08158	0.8
85.02917	1.5
103.09302	0.5
123.08076	0.8
177.08968	0.8
185.04289	1.6
203.05254	6.2
205.08618	0.6
239.08904	26.0
240.09206	1.0
311.99142	0.6
401.14154	100.0
402.14468	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1417
Annotation	URB447
Peak:m/z	Relative Intensity
54.91188	0.5
56.49652	0.5
58.58739	0.5
69.03446	1.1
70.06574	0.8
70.53851	0.8
70.54165	0.6
72.08158	0.8
85.02917	1.5
103.09302	0.5
123.08076	0.8
177.08968	0.8
185.04289	1.6
203.05254	6.2
205.08618	0.6
239.08904	26.0
240.09206	1.0
311.99142	0.6
401.14154	100.0
402.14468	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17265	0.7
60.31294	0.6
66.33430	0.6
69.03437	1.0
69.95845	3.2
70.06572	1.9
85.02886	2.1
86.06062	1.0
86.09698	1.0
91.05486	1.0
93.07032	0.9
105.07018	1.1
107.04960	1.9
107.08598	0.8
112.07644	0.8
114.24918	0.7
119.08607	0.7
121.10118	1.5
122.60326	0.8
123.04418	1.2
123.08069	1.5
125.64895	0.6
137.20010	0.7
139.03896	0.9
145.10141	0.6
165.05487	0.7
172.11267	1.5
177.05502	2.5
177.08879	6.0
181.04999	3.6
185.04216	6.2
203.05283	1.5
204.13838	1.6
221.07864	5.6
221.11548	2.0
222.14890	4.3
239.08899	100.0
240.09248	3.3
240.15984	2.2
250.10684	1.0
323.08823	0.8
339.14215	8.5
383.13110	1.1
384.15067	0.9
401.14056	68.5
401.18073	14.2
402.14362	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93342	0.4
53.82026	0.3
69.56370	2.0
70.06591	0.4
81.07066	0.4
91.05478	0.4
93.07034	0.5
105.07052	0.4
107.04946	0.5
110.19943	0.3
137.05998	0.4
167.07037	0.4
168.34279	0.3
176.10728	0.8
220.06898	0.4
222.11421	0.4
237.41743	0.4
239.08908	100.0
240.09256	4.4
401.14087	22.4
401.18103	5.2
402.14096	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17265	0.7
60.31294	0.6
66.33430	0.6
69.03437	1.0
69.95845	3.2
70.06572	1.9
85.02886	2.1
86.06062	1.0
86.09698	1.0
91.05486	1.0
93.07032	0.9
105.07018	1.1
107.04960	1.9
107.08598	0.8
112.07644	0.8
114.24918	0.7
119.08607	0.7
121.10118	1.5
122.60326	0.8
123.04418	1.2
123.08069	1.5
125.64895	0.6
137.20010	0.7
139.03896	0.9
145.10141	0.6
165.05487	0.7
172.11267	1.5
177.05502	2.5
177.08879	6.0
181.04999	3.6
185.04216	6.2
203.05283	1.5
204.13838	1.6
221.07864	5.6
221.11548	2.0
222.14890	4.3
239.08899	100.0
240.09248	3.3
240.15984	2.2
250.10684	1.0
323.08823	0.8
339.14215	8.5
383.13110	1.1
384.15067	0.9
401.14056	68.5
401.18073	14.2
402.14362	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	1.1
57.40695	0.4
59.76601	0.4
60.13343	0.5
61.02938	0.6
65.03939	1.4
66.59270	0.4
69.03425	1.5
70.06604	1.3
71.30083	0.5
81.03410	0.6
84.04508	27.3
84.94398	0.4
85.02904	4.5
85.04865	0.4
92.05000	4.6
93.03400	0.5
96.83518	0.5
97.02897	2.4
98.06048	1.0
98.97579	0.6
99.04488	0.6
102.05521	0.9
109.02901	0.7
110.06046	100.0
111.04417	0.9
111.06400	2.5
126.05530	1.2
126.44459	0.5
127.03922	0.7
128.03436	0.5
130.05003	11.6
140.81560	0.5
141.96753	0.4
146.99576	0.4
147.04422	0.7
155.23807	0.5
158.06017	1.3
172.06085	0.5
175.08649	1.1
176.07091	4.5
181.05081	0.6
220.06111	0.7
221.09261	1.3
222.07613	3.1
239.10513	14.4
240.10703	1.0
249.50499	0.4
287.62036	0.5
341.09106	1.6
359.10187	0.6
369.16971	0.6
370.17807	0.7
401.14166	9.6
401.18781	1.1
402.14859	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1572
Annotation	Asn Met His
Peak:m/z	Relative Intensity
62.40365	0.3
69.21007	0.3
69.43764	1.2
69.44190	1.0
98.22574	0.4
102.86396	0.4
123.04430	0.5
159.04156	0.4
179.99022	0.4
189.05324	0.7
204.07564	4.3
235.43599	0.4
243.54790	0.4
257.06882	0.4
401.15707	100.0
402.16089	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1593
Annotation	Gomisin R
Peak:m/z	Relative Intensity
55.01899	2.9
55.17437	2.3
69.03445	3.3
69.07040	2.5
71.31760	4.0
76.22729	2.4
79.05508	5.8
81.07037	3.1
91.05477	3.4
93.07050	2.5
95.04965	2.8
99.81435	2.7
102.93643	2.7
103.05466	9.9
105.06990	5.7
107.04958	8.7
107.08553	3.1
109.06514	2.3
115.05447	4.2
118.04153	2.7
123.04404	5.3
131.04929	8.0
131.08586	4.3
133.06590	2.7
137.05939	3.9
139.03929	2.3
139.44290	2.5
145.06566	3.5
151.03922	8.3
156.05511	2.5
161.05957	3.2
163.07533	8.2
165.06992	5.7
165.09200	5.0
167.07037	18.6
173.05991	3.7
178.07744	4.0
179.08524	3.3
181.05042	5.3
181.06532	4.5
187.07582	4.0
189.06929	2.8
191.07016	13.1
191.08563	2.6
195.08032	4.9
197.05954	3.4
198.06691	4.1
199.07480	3.6
205.06580	3.0
205.08524	4.1
207.08051	3.1
208.08682	3.2
209.06001	6.0
209.09596	3.2
210.06735	5.3
211.07570	6.6
211.11148	2.6
213.05476	2.9
217.08469	5.4
219.08217	3.8
220.08815	3.1
221.06056	3.2
221.09410	2.8
222.06738	3.7
223.07567	6.8
224.08313	10.2
225.05516	5.8
225.09108	4.7
226.06323	5.5
227.07039	11.1
229.04935	2.6
229.08675	3.5
233.09566	5.6
234.10394	3.1
235.07573	12.2
236.08252	7.6
237.05476	5.2
237.09084	9.8
238.06071	6.2
239.07031	8.1
239.10693	10.0
240.07803	11.6
241.04820	3.8
241.08569	14.0
247.07567	4.0
247.09766	3.1
250.06232	6.1
250.09953	3.6
251.07019	8.5
251.10689	4.4
252.07898	8.3
253.04999	5.3
253.08595	6.6
254.05717	12.8
254.09540	6.2
255.06561	20.5
255.10109	5.5
256.07278	6.6
262.09976	3.3
263.06876	12.3
263.10623	3.6
264.07819	7.3
265.05402	4.1
265.08630	14.4
266.05981	3.6
266.09320	4.5
267.06616	12.0
267.10107	22.1
268.07352	10.3
268.10767	3.6
269.08148	11.6
269.11703	4.8
270.05200	8.4
270.08524	3.0
271.06100	6.4
271.09744	7.2
275.06964	3.3
277.08588	8.7
278.06055	3.5
278.09375	9.6
279.06738	5.6
279.10129	7.3
280.07257	8.7
281.08136	13.8
282.05649	2.9
282.08807	10.9
283.06042	11.9
283.09430	5.1
284.06741	10.1
284.10065	5.0
285.07547	15.3
286.08307	5.3
287.09183	4.4
291.10226	6.1
292.07410	3.3
292.10669	5.7
293.08029	11.4
293.11758	9.4
294.08917	5.4
295.06238	4.6
295.09647	27.4
296.06760	3.3
296.10236	6.2
297.07498	10.3
297.11206	17.7
298.08337	40.7
298.11523	5.1
299.09109	26.8
299.12366	4.3
300.06372	4.9
301.07098	3.6
301.10440	4.0
305.08069	6.2
306.08472	4.8
307.09586	9.3
308.06995	3.5
308.10312	5.7
309.07623	5.7
310.08414	5.6
311.05673	4.7
311.09094	9.8
312.06516	4.1
312.09976	9.8
313.07028	10.1
313.10684	21.4
314.07538	4.2
314.11133	3.0
315.08612	16.9
319.09613	3.6
321.07452	6.1
321.11249	15.8
322.11685	3.2
323.09024	6.5
323.12802	10.3
325.10748	30.7
326.07785	9.3
326.11487	10.6
327.08560	22.9
327.12289	36.0
328.09329	15.6
328.12637	4.3
329.06680	4.3
329.10071	12.2
330.10901	12.3
331.11652	3.6
336.09860	10.5
337.10733	13.4
337.14313	3.1
339.12192	6.3
341.10205	100.0
342.10760	22.9
343.11658	6.3
344.08862	6.1
351.12341	32.1
352.12967	7.9
353.09921	3.4
353.13721	16.9
354.14313	4.8
357.13324	59.6
357.17740	3.8
358.13724	5.2
359.11258	22.3
359.15253	4.4
360.11682	3.3
368.12567	6.8
369.13184	24.9
370.17801	3.6
383.14926	41.9
401.11713	3.8
401.16006	50.9
402.16217	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.05490	0.6
65.03932	1.3
66.04715	2.0
68.99801	0.7
69.03432	1.1
70.98094	0.9
70.98422	0.9
77.03921	0.8
77.45798	0.7
79.05494	7.0
81.07049	1.9
85.02917	1.0
91.05476	0.8
93.07032	1.1
94.04199	2.6
95.04965	2.1
95.08614	1.1
97.47539	0.7
99.04537	0.7
105.04482	0.8
109.06503	2.7
111.08035	0.9
121.02848	1.0
122.03679	3.9
137.05972	1.3
139.07494	1.0
152.04712	1.7
155.07030	4.3
157.06461	2.1
165.05475	100.0
166.05829	2.5
167.08536	0.8
174.10390	1.4
179.08548	1.7
181.06442	1.9
182.07320	1.2
183.08000	1.0
184.05324	0.9
191.08568	0.9
194.07321	1.0
195.06528	16.8
195.08110	1.9
196.06987	0.7
196.08842	1.5
197.09470	1.0
198.06665	1.0
199.07596	1.3
200.22305	0.7
205.12259	5.3
206.07196	0.9
207.08025	2.1
208.08867	0.9
209.06073	1.7
209.09663	2.2
210.06732	1.1
211.07578	3.0
212.04633	1.3
212.08257	1.1
213.05423	1.0
220.04964	1.0
221.05960	1.3
221.09509	1.2
222.06796	1.6
223.07492	1.6
224.08267	4.3
225.05409	1.4
225.09094	1.5
226.06230	2.6
226.09793	1.0
227.06976	4.4
233.09637	1.3
233.11694	3.2
234.06851	1.0
235.07530	4.4
236.08344	2.7
237.05460	2.6
237.09067	4.6
238.06339	2.1
238.10017	1.0
239.07018	3.1
239.10709	3.5
240.07756	2.9
241.04941	1.0
241.08603	3.2
242.05818	0.9
246.10478	1.0
247.07416	1.5
248.08183	0.9
249.09070	2.7
250.09885	2.1
251.06950	3.3
251.10826	1.2
252.07816	5.0
253.04993	2.1
253.08505	3.9
254.05754	3.7
254.09369	2.8
255.06552	7.0
255.08961	0.8
255.10120	0.8
256.07272	1.5
257.08127	1.0
261.09113	1.5
262.05954	0.9
263.06982	3.8
264.07785	2.2
264.11462	0.7
265.05045	1.7
265.08597	5.5
266.05923	1.5
266.09213	2.8
267.06540	4.5
267.10123	9.9
268.07297	4.0
268.10309	1.4
269.08102	5.3
269.11703	3.7
270.05243	3.0
270.08899	1.3
271.05991	2.7
277.08591	2.3
278.09229	5.1
279.06595	2.0
279.10165	1.6
280.07230	3.3
281.08054	5.2
282.05615	1.3
282.08817	4.6
283.06006	6.0
283.09576	2.9
284.06781	2.7
284.09998	0.9
285.07568	6.6
286.08084	1.7
287.09140	1.3
287.14240	1.2
289.08688	0.8
289.15741	1.0
291.06696	1.4
291.10016	1.6
292.10928	1.5
293.08078	2.2
293.11649	4.6
294.09082	1.2
295.06104	2.2
295.09622	12.0
296.06824	1.8
296.10400	2.0
297.07590	5.1
297.11197	6.7
298.08313	17.2
298.11487	1.4
299.05881	1.4
299.09085	7.9
300.06314	1.5
300.09576	0.9
301.07211	1.4
301.10666	1.9
305.08029	2.4
306.08936	2.2
307.09598	2.7
308.10400	1.3
309.07507	2.1
309.10965	1.1
310.08475	1.8
311.05865	1.7
311.09109	5.2
312.06104	2.0
312.09891	4.8
313.07022	5.5
313.10715	8.9
314.07693	1.5
314.11157	1.0
315.08646	3.7
319.09476	1.9
320.10303	1.5
321.07574	2.3
321.11191	10.3
322.11774	1.9
323.09055	3.1
323.12650	1.7
324.13474	1.0
325.10703	14.7
325.14185	0.7
326.07776	4.9
326.11475	3.9
327.08572	7.9
327.12283	15.6
328.09390	7.2
328.12668	1.5
329.06586	1.6
329.10205	1.9
335.08777	0.9
336.09824	3.4
337.10690	5.5
338.11359	2.8
339.12265	2.1
341.10205	38.4
342.10818	9.6
343.11652	1.8
344.08838	1.9
351.12183	7.8
352.13010	3.6
353.10074	1.5
353.13828	7.7
355.15326	1.5
357.09149	1.6
357.13315	26.1
358.13626	2.6
359.11221	9.5
368.12479	2.0
369.13303	9.9
370.13739	1.5
383.14862	14.9
401.10892	1.4
401.15982	17.9
401.20923	3.9
402.16302	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88413	1.1
50.89608	1.2
57.61842	1.0
69.93927	1.2
70.94812	1.1
71.09371	1.9
78.46210	1.0
136.94881	1.2
153.29193	1.1
159.08049	1.4
181.06496	1.9
182.07184	1.3
184.05148	1.5
188.08310	2.6
196.05133	1.3
197.09641	1.5
198.06665	1.6
199.07573	3.6
203.10693	9.8
207.08083	1.1
210.06781	3.2
211.07593	1.6
211.96132	1.3
212.04599	2.5
213.05435	1.7
214.06299	1.7
223.07646	1.4
224.08302	1.4
225.09079	7.4
226.06264	3.9
227.07082	7.5
229.05009	2.0
231.10068	1.5
238.06297	3.7
239.03371	4.2
239.07033	2.1
240.04221	1.3
240.07854	1.6
241.04974	1.9
241.08542	1.7
242.05757	3.0
244.07477	1.5
251.06937	1.4
253.04872	2.4
253.08716	6.8
254.05737	34.8
254.08537	1.8
255.06282	4.9
257.04468	20.2
257.07541	1.8
257.08054	2.5
258.04800	1.8
259.09564	1.3
263.10794	1.8
265.08789	1.5
266.05637	1.7
267.06467	2.5
267.10052	2.2
268.07309	2.3
269.07971	1.4
270.05200	3.2
270.08774	1.4
271.06052	6.8
272.06812	1.7
278.09372	2.4
279.10074	2.0
280.07156	1.6
281.07996	15.3
282.05228	12.4
282.08435	2.2
283.05838	1.2
283.09790	2.7
285.04001	4.2
285.07541	8.6
285.10760	1.6
286.08267	4.8
287.05679	1.6
287.09106	3.3
293.08432	1.3
293.11639	2.6
295.09698	1.4
296.06833	1.8
297.07648	2.5
298.08334	2.0
299.09198	2.6
300.06277	29.9
301.06842	2.8
302.07944	2.2
311.09100	10.1
311.12418	1.8
312.09851	2.9
313.07269	2.2
313.10489	6.1
315.08618	100.0
316.08966	4.8
317.10266	9.5
321.11130	1.9
323.12775	3.9
325.10635	2.6
329.10080	2.6
331.07959	1.9
337.10684	2.9
337.14310	2.6
339.12274	1.8
341.13858	2.1
342.11057	2.8
343.11813	12.5
345.09674	4.8
351.12332	5.2
352.12927	6.8
353.13812	2.5
355.15057	1.6
368.12625	1.9
369.16989	3.3
370.17584	3.2
383.14911	15.6
384.15344	2.2
401.15353	8.0
401.20563	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1594
Annotation	Gomisin R
Peak:m/z	Relative Intensity
63.84887	2.2
65.38029	2.3
67.43321	2.4
69.39159	10.8
69.39568	3.2
76.52666	2.0
91.82450	2.2
128.06277	2.3
152.06218	4.2
153.06984	2.5
165.05482	7.8
165.07013	6.5
169.06508	2.8
178.07799	3.7
178.28780	2.7
179.08556	7.6
180.05690	3.8
181.06456	8.3
182.07275	3.8
183.08080	6.9
184.05238	4.0
185.05919	2.4
191.08495	4.3
193.06377	2.5
194.07289	3.5
195.08035	5.4
195.38538	2.4
196.05315	2.8
196.08809	6.5
197.05962	9.0
197.09610	2.6
198.06810	7.9
199.07584	5.3
205.06441	3.8
206.07307	4.9
207.08070	5.7
208.05186	3.7
208.08861	3.8
209.05965	9.5
209.09566	4.8
210.06740	8.7
211.07553	16.8
212.08270	4.8
213.05296	4.0
213.09129	8.5
214.06401	4.2
219.08165	4.4
220.05432	2.6
220.08722	2.7
221.05977	4.9
222.06735	5.2
223.03903	3.0
223.07433	12.1
223.11186	3.2
224.04684	3.2
224.08289	15.4
225.05426	5.7
225.09090	8.7
226.06244	11.1
227.07065	9.8
228.04082	4.0
229.08519	2.7
230.09229	2.5
232.08803	2.7
233.09596	4.8
234.06888	3.0
235.07512	18.5
236.04666	4.7
236.08342	8.8
237.05463	14.2
237.09097	10.6
238.06285	16.2
239.03404	2.8
239.06987	20.4
239.10532	13.1
240.04250	2.8
240.07785	5.8
240.11380	2.7
241.04935	10.2
241.08575	17.8
242.05666	8.8
242.08775	2.8
243.06491	7.8
247.07600	3.1
248.08231	3.8
249.05376	3.5
249.09131	10.8
250.06203	5.4
250.09941	6.3
251.06999	29.1
251.10757	5.4
252.07791	24.5
252.10278	2.6
252.11467	3.2
253.04996	8.9
253.08525	15.4
254.05739	18.5
254.09294	9.9
255.06459	11.3
255.10130	4.5
256.07233	10.2
257.08179	10.9
261.09146	4.4
263.07016	11.7
263.10645	7.1
264.07782	10.2
264.11407	4.5
265.05362	4.3
265.08578	29.0
265.12155	8.0
266.06036	4.1
266.09253	11.3
267.06543	26.9
267.10156	54.5
268.07254	13.2
268.10733	6.4
269.04877	4.3
269.08093	26.9
269.11578	6.8
270.05307	6.9
270.08771	4.1
271.06024	3.9
271.09671	10.5
272.06842	4.7
277.08569	7.2
278.06180	3.2
278.09296	12.9
279.06522	29.6
279.10110	14.1
279.12866	2.3
280.07285	13.0
280.10837	7.4
281.08087	26.2
281.11346	3.8
282.05237	8.3
282.08841	16.6
283.05988	19.3
283.09515	9.4
284.06693	17.3
284.10202	5.0
285.07571	36.5
285.11102	6.3
286.08203	9.0
287.09015	5.3
291.06573	5.3
291.09967	4.9
292.10919	7.5
293.08047	15.8
293.11676	17.3
294.08807	8.1
294.12238	5.2
295.06052	9.4
295.09644	69.4
295.13165	10.1
296.06989	4.1
296.10300	15.0
297.07556	30.5
297.11218	33.0
298.08417	20.0
298.11591	4.0
299.05692	5.8
299.09143	42.8
299.12823	7.7
300.06458	3.4
300.09769	10.2
301.07004	7.4
301.10690	8.5
302.07770	5.8
303.08801	3.5
305.08002	4.2
306.09067	4.2
306.12433	4.3
307.06314	2.8
307.09622	10.0
308.07126	2.5
308.10416	8.3
309.07800	4.5
309.11203	12.9
309.14517	5.2
310.08307	10.9
310.11713	4.9
311.09094	13.3
311.12750	6.2
312.06760	2.8
312.09863	11.8
313.07031	16.8
313.10712	19.7
314.07788	8.1
314.11475	25.9
315.08661	12.2
315.11948	3.7
316.09390	3.9
317.10098	10.8
318.10947	9.1
319.09705	3.8
321.07855	2.9
321.11328	15.3
322.11890	6.9
323.09225	5.7
323.12735	24.2
324.09714	3.5
325.10699	74.1
325.14319	3.9
326.11398	13.8
326.14807	3.8
327.08563	9.8
327.12283	32.4
328.09332	17.9
328.12991	13.8
329.06796	4.2
329.10199	85.0
329.13824	13.5
330.10638	7.5
331.11749	5.3
332.12570	11.6
333.13272	3.6
334.11896	3.9
336.09869	8.0
337.10538	9.6
337.14340	18.4
338.07858	3.2
338.11349	5.0
338.15060	14.0
339.12262	15.4
339.15674	4.8
340.12964	5.5
341.10083	7.6
341.13861	5.6
341.17569	6.3
342.10864	8.3
343.11462	4.5
344.08911	4.8
344.12619	4.9
345.13202	5.2
351.12222	26.5
352.12808	9.8
353.10132	9.1
353.13815	21.0
354.10681	4.4
354.14545	5.5
355.15363	13.1
357.13297	93.0
358.13702	10.5
359.11243	29.5
359.14954	9.0
367.11734	4.7
368.12515	17.6
369.12979	14.3
369.17142	19.2
370.13885	6.9
370.17746	25.5
371.14862	100.0
372.15378	10.4
383.14886	77.6
384.15253	6.7
386.13184	5.6
386.17575	3.6
401.15372	54.6
401.19763	18.9
402.16187	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1593
Annotation	Pyramidatin F
Peak:m/z	Relative Intensity
50.07589	0.7
54.75182	0.7
55.02430	0.7
63.30670	0.7
104.41611	0.7
152.06210	1.2
153.06902	1.0
165.05547	1.5
165.07008	3.1
166.07832	1.0
167.08559	0.9
168.05681	1.1
169.06491	1.2
178.07770	2.4
179.08527	3.1
180.09152	1.1
181.06430	4.4
181.10095	1.1
182.07300	1.0
183.08084	2.9
184.05241	1.5
185.05870	0.9
185.09521	1.1
190.07826	1.1
192.05650	1.2
193.06569	1.7
194.07262	1.6
195.08057	2.9
196.05202	1.5
196.08806	3.4
197.05925	4.0
197.09494	1.4
198.06812	2.2
199.07545	3.3
203.08621	0.9
205.06476	1.1
206.07181	2.3
207.07983	4.3
208.05180	0.9
208.08772	2.4
209.06015	3.4
209.09612	3.4
210.06779	3.4
211.07501	6.4
211.11224	1.3
212.08182	1.2
213.05443	2.4
213.09109	3.6
214.06207	1.2
218.07283	1.1
219.08023	2.5
220.05183	1.1
221.05969	3.0
221.09593	1.6
222.06700	3.2
222.10382	1.1
223.03917	1.5
223.07428	4.1
224.04718	1.6
224.08290	8.4
225.05443	3.1
225.09006	3.7
226.06213	5.9
226.09723	1.7
227.07008	4.9
228.07729	1.7
233.09691	1.0
234.06859	2.1
235.07524	9.6
236.08342	6.5
237.05469	5.6
237.09048	10.6
238.06248	5.2
238.09857	1.9
239.07008	7.9
239.10654	9.4
240.04221	1.7
240.07776	4.1
241.04924	3.4
241.08612	7.7
242.05667	4.3
242.09409	1.7
243.06592	2.1
243.10223	1.4
244.07141	1.6
247.07483	1.2
248.08344	1.5
249.05605	1.2
249.08975	3.9
250.06178	4.1
250.09937	2.8
251.07063	8.7
251.10678	2.9
252.07784	18.7
253.04941	2.3
253.08553	6.5
254.05707	6.7
254.09395	5.1
255.06552	5.7
255.10081	1.7
256.07379	3.9
257.04395	1.3
257.08127	4.1
260.07990	1.0
261.09091	1.1
263.07031	5.7
264.07874	4.2
264.10983	0.7
265.05032	2.5
265.08609	15.4
265.12173	2.7
266.05713	2.2
266.09308	6.5
267.06558	11.6
267.10153	34.5
268.07288	5.6
268.10623	3.7
269.04648	2.2
269.08075	9.2
269.11322	5.6
270.05212	5.4
270.08600	1.7
271.06046	3.5
271.09683	3.6
272.06741	1.7
277.08591	4.0
278.06458	0.8
278.09262	5.3
279.06558	4.1
279.10168	3.0
280.07300	10.0
280.10623	1.7
281.08081	11.8
281.11374	1.2
282.05350	2.3
282.08841	8.4
283.06024	4.9
283.09641	4.1
283.12549	0.9
284.06796	10.9
284.10388	3.0
285.07535	12.4
285.10712	1.2
286.04965	1.9
286.08286	5.8
287.09048	3.1
291.10172	1.5
292.07404	1.4
293.08057	3.9
293.11722	4.8
294.08856	5.1
294.12106	1.5
295.06088	7.2
295.09573	46.7
296.06723	3.9
296.10181	6.8
297.07547	14.8
297.11206	23.2
298.08258	3.7
298.11832	3.1
299.05670	1.8
299.09143	25.1
299.12692	3.5
300.06253	2.3
300.09692	3.5
301.06940	4.6
301.10687	5.6
301.13800	1.0
305.08188	1.6
306.08649	1.5
307.09567	3.6
308.06970	1.1
308.10339	1.9
309.07669	1.3
309.11053	2.2
310.08398	7.7
310.11816	1.2
311.09134	6.4
311.12534	1.7
312.09818	5.2
313.07013	12.6
313.10712	4.2
314.07599	2.9
314.11523	4.9
315.08661	7.5
316.09433	1.0
317.10129	1.7
320.10422	1.3
321.11118	4.0
322.12009	1.7
323.09052	4.0
323.12796	2.6
324.09747	1.6
325.10706	52.5
325.14066	2.5
326.11301	9.9
327.08569	8.1
327.12271	20.9
328.09348	14.2
328.12857	2.2
329.06485	3.3
329.10147	15.6
329.13870	12.8
330.10587	1.1
331.12015	1.4
336.09851	2.3
337.10812	1.9
338.11517	2.8
339.12207	7.5
340.12860	1.0
341.13812	4.9
342.10971	6.5
343.11624	2.2
344.08945	4.5
351.12231	6.1
352.12994	3.7
353.10098	1.5
353.13858	11.5
356.12411	1.3
357.13303	84.3
358.13724	5.8
359.11240	35.0
359.15738	1.3
360.11441	2.9
368.12497	2.0
369.13284	2.9
371.14853	25.1
372.15152	2.9
378.76663	0.8
383.14905	11.9
384.14877	1.4
401.15912	100.0
402.16174	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1594
Annotation	Gomisin R
Peak:m/z	Relative Intensity
55.83878	0.5
70.18636	2.1
114.89927	0.6
116.80173	0.6
129.79416	0.7
157.22304	0.6
165.05499	1.3
167.08481	0.8
178.07736	1.3
179.08566	0.9
181.06532	1.3
182.06934	0.7
193.06508	0.7
194.07274	2.0
195.08017	1.7
196.08846	0.6
197.06032	2.1
198.06738	1.2
199.07591	1.5
202.07787	0.6
207.08104	2.5
209.05998	1.8
209.09708	1.0
210.06787	1.7
211.07536	2.1
212.08383	0.9
213.05563	1.0
213.09076	1.0
218.07310	1.9
219.08011	2.8
220.08859	1.2
221.06009	1.4
221.09517	1.4
222.06760	2.8
223.07555	2.9
224.08369	3.2
225.05440	1.8
225.09155	2.0
226.06216	2.7
227.07033	9.2
228.07640	0.7
232.08833	1.8
233.06000	1.0
233.09694	2.1
234.06635	1.5
234.10522	0.8
235.07545	6.0
235.11195	1.0
236.08264	1.4
237.05418	4.4
237.09099	5.6
238.06274	1.0
238.09773	1.2
239.07034	2.7
239.10663	2.4
240.07761	3.5
241.04941	1.5
241.08630	3.1
242.05661	0.7
247.07578	2.8
248.08351	2.3
249.08986	3.9
250.06204	2.5
250.09805	4.0
251.07037	4.5
251.10567	1.0
252.07809	6.1
253.05017	2.3
253.08589	4.0
254.05714	2.3
254.09402	2.4
255.06505	16.2
255.10155	1.5
256.07181	2.2
257.07938	0.9
260.08331	1.6
261.09219	3.0
262.06207	0.9
262.09995	1.4
263.07013	6.5
263.10568	1.8
264.07751	3.7
265.05045	3.0
265.08575	7.8
265.12106	1.8
266.05750	1.7
266.09259	2.8
267.06567	3.8
267.10172	8.1
268.07278	3.6
268.10480	1.0
269.04300	1.1
269.08032	4.8
269.11703	2.4
270.05261	2.3
270.08643	0.9
271.06009	3.9
272.06494	0.9
275.07043	2.0
276.07846	1.7
277.08612	6.0
277.11572	1.0
278.06119	1.1
278.09308	11.2
279.06473	2.7
279.10028	3.9
280.07336	6.0
280.10645	1.1
281.07889	4.8
282.05530	1.1
282.08841	4.2
283.06027	10.5
283.09534	2.8
284.06726	4.1
285.07550	4.5
286.04831	0.8
286.08344	1.5
289.08643	2.0
290.09378	1.4
291.06488	2.3
291.10178	2.9
292.07401	1.5
292.10895	3.0
293.08109	5.7
293.11707	10.0
294.05420	1.4
294.08740	1.9
294.12140	1.3
295.06009	3.8
295.09644	9.9
296.07013	1.3
296.10355	2.3
297.04471	0.9
297.07608	4.9
297.11206	6.2
298.08359	47.6
299.05627	1.3
299.09009	9.1
299.12567	1.0
301.07031	1.7
301.10364	1.5
305.08075	6.6
306.08813	6.3
307.09531	6.1
308.06830	1.6
308.10345	2.5
309.07568	4.9
309.11267	1.8
310.08218	1.7
310.11926	1.3
311.05493	4.1
311.09177	3.4
312.06555	1.0
312.09894	4.8
313.07080	4.2
313.10593	21.7
314.07797	1.8
314.11105	1.6
315.08685	3.6
319.09631	2.3
320.10513	4.3
321.07547	4.4
321.11148	28.1
322.08179	1.8
322.11755	3.6
323.05533	1.1
323.09088	5.7
323.12811	1.8
324.13290	1.3
325.07065	1.4
325.10733	10.9
325.14371	2.0
326.07846	14.5
326.11298	2.2
327.08517	7.7
327.12296	12.7
328.09460	2.9
328.12701	0.9
329.06573	1.3
329.10168	2.5
335.09149	1.0
336.09915	8.2
337.10654	9.3
338.07861	0.9
338.11362	5.3
339.08578	1.4
339.12231	4.3
341.10196	100.0
342.10706	14.9
343.11725	2.2
344.08893	1.9
351.12283	21.4
352.12891	7.8
353.10071	2.9
353.13846	25.0
354.14142	2.2
355.15372	2.8
357.13281	14.7
358.13519	0.8
359.11234	7.1
368.12408	3.0
369.13101	3.9
370.14191	0.9
383.14877	33.3
384.15042	3.4
401.15936	19.4
402.16113	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.7
55.05492	1.4
66.04713	2.2
67.05503	1.1
68.17251	0.7
69.14364	5.9
77.03918	1.0
79.05502	6.4
79.05916	1.0
81.03399	2.0
81.07048	1.7
83.04955	1.4
91.05491	1.2
94.04214	3.4
95.04943	2.2
95.08567	1.0
96.05750	1.2
105.04507	0.7
105.07070	0.9
109.02852	0.8
109.06551	4.6
111.04457	1.0
115.05502	0.8
122.03684	3.8
124.05199	1.6
126.03109	1.0
129.06961	0.9
137.02371	0.7
137.05998	1.0
138.24997	0.6
139.07539	2.9
141.07024	1.4
143.08560	0.8
152.04704	4.2
152.05992	0.8
153.07025	1.0
155.07014	3.4
155.08536	2.1
159.08073	0.7
165.05482	100.0
165.06682	3.7
166.05861	2.5
166.07808	1.3
167.07068	1.5
167.08545	1.0
168.05589	0.8
169.06535	0.9
169.10048	1.0
174.10260	0.8
178.07735	1.2
179.08540	2.9
181.06538	2.2
181.08627	0.9
181.10126	0.8
182.07066	1.1
183.08011	0.8
184.05226	1.0
189.06960	1.2
190.07808	0.8
191.08499	1.9
193.10085	1.4
194.07301	2.1
195.06526	44.9
195.07823	2.0
196.06865	2.2
196.08780	2.7
197.05956	1.8
197.09613	0.8
197.13220	0.8
198.06781	0.9
199.07515	2.4
203.08621	1.0
204.07747	0.9
205.06508	1.4
205.10193	1.5
205.12267	3.9
206.07309	0.9
207.08076	3.3
207.11748	0.7
208.08794	0.9
209.05934	2.2
209.09612	2.6
209.13301	1.7
210.06717	2.9
211.07573	4.4
211.11189	0.7
212.08292	1.8
213.05460	1.0
213.09094	1.7
216.11626	0.8
217.10146	1.0
218.07294	1.0
219.08051	2.1
219.11646	1.0
220.05150	0.8
220.08693	1.1
221.05945	0.9
221.09616	1.3
222.06680	2.4
223.03967	0.9
223.07535	2.9
224.08272	5.0
225.05498	1.9
225.09093	2.6
226.06242	3.7
226.09856	2.1
227.07030	8.4
228.07617	0.9
231.08141	1.1
231.11809	1.3
232.08899	1.2
232.12538	1.0
233.06018	0.8
233.09610	2.4
233.11734	2.6
234.06911	1.0
235.07509	6.2
236.08217	3.8
237.05467	4.5
237.09079	5.9
238.06282	2.8
239.06973	5.0
239.10635	5.5
240.07846	4.2
241.04964	1.8
241.08569	5.8
242.05751	1.4
243.06578	1.3
246.14133	1.3
247.07646	1.5
247.14900	1.6
248.08273	1.4
249.05531	2.0
249.09109	2.2
250.06274	1.9
250.09837	2.4
251.07043	4.6
251.10719	0.9
252.07790	8.0
253.05037	2.6
253.08487	5.0
254.05714	4.6
254.09280	3.5
255.06511	10.4
255.10152	2.2
256.07254	2.7
256.10944	0.8
257.07956	1.1
259.14856	1.3
260.15775	0.7
261.09119	3.1
261.16537	0.9
262.09921	1.1
263.07013	5.5
263.10574	0.9
264.07721	2.7
265.05063	2.3
265.08615	7.7
265.12231	1.4
266.05914	2.2
266.09351	4.5
267.06577	6.9
267.10168	12.6
268.07303	5.2
268.10617	1.7
269.04855	1.3
269.08087	7.8
269.11600	2.4
270.05240	4.7
270.08765	3.2
271.06012	4.2
271.09558	0.9
273.16263	0.8
275.06976	0.7
276.07736	1.0
277.08542	4.1
278.09372	7.9
279.06555	2.9
279.10156	4.0
280.07385	5.5
281.04797	1.0
281.08096	6.7
281.11569	1.9
282.05438	1.9
282.08835	5.0
283.06049	8.1
283.09573	4.4
284.06754	4.7
284.10287	2.0
285.07596	9.2
286.04700	1.9
286.08203	2.7
287.09180	1.3
287.18085	1.2
289.08606	1.9
291.06784	1.4
291.10172	3.0
292.07428	1.3
292.10712	1.5
293.08051	4.8
293.11716	5.4
294.05740	0.7
294.08884	2.5
294.12057	1.3
295.06073	4.7
295.09689	15.1
296.06778	2.2
296.10321	4.0
297.07596	7.3
297.11243	10.7
298.08359	27.3
298.11453	1.4
299.09091	11.0
299.12732	2.6
300.06180	2.2
300.09500	1.4
301.07098	3.2
301.10776	2.6
305.08163	3.4
306.05652	0.8
306.08908	3.4
307.09665	3.6
308.06854	0.9
308.10315	1.9
309.07538	3.8
309.10812	1.6
310.08401	2.7
310.11761	1.3
311.05469	2.0
311.09171	6.4
311.12393	1.1
312.06287	2.4
312.09912	6.1
313.07074	6.8
313.10748	13.4
314.07748	2.4
314.11099	1.1
315.08649	6.2
316.09573	1.1
319.09738	2.0
320.10410	4.2
321.07568	2.7
321.11130	13.0
322.08267	1.6
322.11789	2.1
323.09131	3.5
323.12744	2.7
324.13477	1.0
325.07260	0.9
325.10699	19.7
325.14328	1.1
326.07819	7.8
326.11444	7.3
327.08603	12.5
327.12314	26.4
328.09357	9.5
328.12692	1.0
329.06589	2.0
329.10217	5.7
335.08969	0.9
336.09930	5.7
337.10709	6.9
338.11395	3.0
339.08691	1.1
339.12320	3.3
341.10208	54.3
342.10840	15.6
343.11658	2.4
344.08890	3.5
344.12524	1.2
351.12268	15.1
351.16660	0.9
352.12979	5.4
353.10049	2.1
353.13843	11.1
355.15433	1.0
357.13312	35.3
358.13687	3.0
359.11234	13.2
360.11649	0.9
368.12427	1.2
369.13300	13.8
370.13574	1.8
371.14832	0.8
383.14893	19.8
384.15283	2.2
401.15985	25.4
401.24585	20.5
402.16299	2.6
402.25189	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.0
55.01865	0.9
55.05509	2.6
62.12273	0.8
65.03948	1.0
67.05493	5.7
69.03433	1.1
69.07085	2.9
69.70063	0.8
71.29057	0.7
71.29446	1.3
79.05512	3.5
81.07054	4.9
83.04980	6.8
88.01242	0.9
91.05472	5.8
93.07031	5.4
95.04964	2.0
95.08607	8.0
95.09164	0.9
97.06495	0.9
105.07022	6.0
107.08601	2.5
109.06532	1.5
110.03626	1.8
111.04492	4.2
111.08107	2.3
115.05505	1.7
115.45916	0.9
116.06252	1.2
117.07054	2.4
119.08566	5.1
120.05794	0.9
121.06545	1.8
121.10207	1.5
123.08128	1.6
125.06000	4.3
128.06276	2.5
129.07033	3.2
131.04988	0.9
131.08621	3.7
132.77730	0.9
133.06487	1.0
133.10158	2.3
135.08058	1.6
139.07509	1.0
141.07043	2.9
142.07823	3.1
142.69061	0.9
143.08537	4.8
145.06544	3.1
145.10161	3.1
147.08041	1.1
152.06239	1.8
153.05548	3.9
153.07083	2.7
154.07785	1.7
155.08546	27.6
155.70287	0.9
156.09370	1.1
157.06529	1.6
157.10132	4.1
159.08012	4.3
159.11702	2.1
161.06030	1.9
161.09621	2.4
165.06967	4.4
166.07735	2.1
167.08644	3.2
169.10118	4.9
171.08127	1.5
171.11772	2.3
173.06059	3.0
173.09711	1.8
178.07758	4.6
179.08504	6.4
180.09418	2.5
181.05011	1.2
181.06473	1.3
181.10149	4.3
183.08078	2.0
183.11729	2.3
187.07617	2.8
188.08324	5.9
189.05518	1.6
189.07074	1.6
189.09100	1.4
190.07803	2.1
191.08556	5.1
192.09312	8.7
193.10115	9.0
194.07391	1.3
194.10954	2.9
195.08041	6.6
195.11696	4.4
196.08853	2.2
197.06113	1.3
197.09532	1.8
197.13333	4.0
198.06870	1.2
202.07803	1.8
203.08551	5.8
204.09415	3.9
205.06529	3.2
205.08578	2.7
205.10196	8.7
206.07361	3.8
206.10779	5.2
207.08150	2.7
207.11685	9.7
208.08937	1.6
209.09526	4.7
209.13217	4.8
210.06725	1.1
210.10471	1.6
211.07660	2.5
211.11191	2.0
212.08348	2.2
213.09193	1.5
215.08696	2.1
216.09407	2.6
217.06624	1.2
217.10170	7.9
218.07274	2.0
218.10867	5.1
219.08134	5.8
219.11691	9.6
220.08873	3.4
220.11029	2.9
220.12704	1.5
221.06038	1.0
221.09663	5.1
221.13329	3.9
222.06902	1.6
222.10416	1.2
223.07550	8.8
223.11302	1.3
223.14882	1.4
224.08321	3.6
225.05545	1.0
225.09210	3.1
225.12726	1.9
226.06242	1.3
227.07007	1.3
227.10611	1.1
229.10172	2.9
230.10983	3.4
231.08215	3.1
231.11647	11.6
232.08865	2.3
232.12437	7.4
233.06084	2.7
233.09711	3.0
233.13246	7.4
234.06752	13.2
234.10457	1.4
235.07494	10.2
235.11209	1.2
235.14888	1.6
236.08379	2.5
237.05534	2.5
237.09076	8.3
238.09897	4.7
239.07198	3.0
239.10760	2.4
240.07872	3.2
241.05202	1.3
241.08476	1.4
242.05725	0.9
242.11003	2.5
243.11856	3.5
244.12576	2.0
245.09682	2.5
245.13274	9.1
246.10461	1.4
246.11595	0.9
246.14006	6.4
247.07542	4.2
247.11336	1.6
247.14801	9.9
247.17084	0.9
248.08333	8.7
248.15356	1.3
249.09430	13.9
249.16409	1.1
250.06226	4.7
250.09837	5.4
251.07024	22.0
251.10677	2.1
252.07675	5.0
253.04919	1.1
253.08739	3.3
253.12262	2.4
255.06598	1.0
255.09892	5.3
257.13480	4.6
258.14157	2.6
259.11371	1.6
259.14960	4.6
260.12234	1.2
260.15656	4.6
261.05664	1.6
261.09293	1.7
261.12823	1.3
261.13748	1.4
261.16364	8.1
262.06442	3.1
262.10168	1.2
262.13690	1.1
262.17020	1.6
263.07040	12.8
263.10739	5.3
264.05078	1.2
264.07626	5.2
265.05484	1.1
265.08539	17.9
266.09369	11.9
267.06598	3.5
267.09915	5.5
268.07346	5.7
269.08182	2.7
271.14841	1.5
272.08313	1.4
272.15738	1.9
273.16525	3.5
274.17322	2.1
275.07205	2.5
275.14447	3.7
275.17831	1.5
276.07800	9.2
276.10345	1.0
277.08600	22.8
277.11758	1.3
278.05905	4.4
278.09473	15.6
278.12250	1.1
279.06555	23.2
279.10132	3.1
280.07358	7.7
280.10651	1.8
281.05133	1.1
281.08218	4.3
281.11850	18.9
282.09070	2.0
282.12222	2.0
283.06430	2.0
283.09537	10.5
284.10220	2.0
285.07758	1.6
285.12738	2.9
285.15952	1.0
287.15015	1.7
287.17844	6.8
289.19577	1.4
290.06064	1.7
290.08990	4.1
291.06705	3.0
291.10269	6.2
292.07455	1.9
292.10727	1.4
293.04871	1.4
293.08078	16.0
293.11200	1.7
294.08835	28.9
295.06110	2.5
295.09564	19.3
295.13077	1.4
296.06876	7.3
296.10217	2.3
297.07739	4.4
297.11404	3.0
298.12216	2.2
299.09244	1.7
301.07190	1.6
301.16077	1.2
302.16867	1.1
302.20520	2.5
303.13919	4.0
304.07401	2.1
305.08087	9.1
306.08688	2.1
307.06119	4.7
307.09744	3.6
308.06924	3.0
308.10574	5.6
309.07712	2.6
309.11151	47.5
310.08405	2.6
310.11798	14.6
311.09149	27.0
311.12689	2.7
312.09604	4.1
313.07205	2.3
313.10886	1.8
313.14584	3.7
314.07535	1.0
315.08786	2.3
315.12231	1.0
317.10294	2.4
319.09750	3.7
320.10529	2.6
321.07648	6.3
322.08267	6.0
323.05505	1.0
323.09259	10.9
323.12988	6.2
324.06409	1.6
325.07364	1.8
325.10608	6.0
326.11389	13.4
327.12131	7.3
328.09512	1.4
329.10220	1.9
330.10907	1.7
331.12085	2.7
336.09976	6.4
337.10681	44.4
338.11334	10.1
338.15091	1.4
339.08640	8.7
339.12088	1.4
340.09372	2.1
340.13208	1.7
341.09976	1.5
341.13828	40.4
341.18448	2.1
342.14481	8.7
343.11725	7.6
344.12579	1.4
345.09937	1.8
351.12262	15.5
352.12772	4.2
353.10226	4.3
353.14148	1.3
354.10791	6.8
355.11673	6.4
356.08719	1.2
357.22424	1.0
358.14087	15.5
359.14941	1.9
368.12698	3.6
369.13272	19.5
370.13885	7.9
371.11212	10.3
371.15048	1.0
373.16449	44.7
374.16620	4.7
383.15161	7.3
383.19827	1.6
386.13547	6.5
387.14529	1.1
401.16202	92.4
401.24927	100.0
402.16406	8.7
402.20602	1.3
402.25317	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1595
Annotation	Pyramidatin F
Peak:m/z	Relative Intensity
57.76825	0.4
59.63096	0.4
67.50844	0.4
68.25625	0.4
69.13610	3.5
69.79865	0.4
96.42173	0.4
99.28266	0.4
105.07048	0.6
107.31368	0.4
155.08585	1.1
165.07076	0.5
175.07533	0.4
179.08673	0.5
181.06624	0.4
183.08073	0.6
195.08055	0.5
197.09570	0.5
205.10327	0.5
207.11674	0.4
208.08795	0.4
209.09679	1.2
210.06755	0.4
211.07581	0.7
213.05676	0.5
215.06998	0.4
219.08121	0.4
223.07538	0.8
223.11264	0.9
225.09123	1.1
226.06084	0.4
227.07074	0.4
235.07571	0.5
236.08427	0.7
237.09085	1.1
238.09996	0.5
239.06950	0.6
239.10641	0.5
240.07889	0.8
241.04906	0.5
241.08600	1.1
241.12280	0.7
242.05493	0.5
243.06442	0.4
248.08163	0.4
250.06293	1.1
251.07014	1.1
251.10686	1.3
253.04808	0.6
253.08624	0.8
254.09402	1.1
255.10059	0.6
257.08072	0.7
259.06021	0.4
263.07303	0.5
263.10626	0.6
264.07785	1.4
265.08557	1.7
266.09378	0.6
267.06549	2.2
267.10022	0.9
269.04297	0.8
269.08469	0.7
269.11789	1.5
270.08936	0.6
278.05951	0.6
278.09225	0.5
279.06531	1.3
279.10168	1.3
281.04553	0.4
281.08057	1.6
282.08771	1.8
283.06259	0.5
283.09399	1.0
285.07535	0.9
285.10934	0.5
287.05444	1.0
289.08600	0.4
292.07385	0.8
293.08014	1.7
294.08826	0.9
295.05997	2.9
295.09558	1.1
295.13129	0.5
296.06714	1.3
296.10513	1.3
297.07870	0.9
297.11182	2.6
299.09177	1.4
302.07703	0.8
307.06244	0.5
307.09570	1.8
308.10474	0.8
309.07526	1.7
309.11023	0.9
310.08359	3.5
310.11694	0.7
311.09122	4.5
311.12793	2.9
312.09958	0.8
313.07056	2.0
313.10699	1.1
315.08813	0.7
317.10101	0.6
318.11044	0.5
322.12125	0.9
323.05463	2.3
323.09134	0.7
323.12878	1.3
324.06210	0.9
324.09766	1.0
324.13342	0.5
325.07059	1.3
325.10648	14.2
326.07782	0.5
326.11227	1.6
327.04950	0.6
327.08633	1.1
327.12134	0.8
328.09399	1.2
332.12524	0.9
335.09039	0.8
337.10648	0.7
337.14386	0.7
338.07965	2.2
338.11447	0.8
338.15024	0.6
339.08578	3.5
339.12277	2.1
340.09171	0.9
340.12994	7.7
341.06607	3.7
341.10077	0.8
341.13589	1.1
342.07019	0.8
343.11758	3.9
344.12418	0.5
345.13461	0.7
350.11484	0.5
352.09402	0.6
353.10202	6.4
354.10696	1.1
355.07938	1.7
355.11783	0.7
356.08862	3.0
357.09293	0.7
357.13327	1.7
359.14896	0.7
368.12445	4.3
369.13245	2.8
369.17273	0.9
370.17712	1.5
371.11224	34.0
372.11697	3.7
385.12808	7.3
386.13510	8.8
401.15909	100.0
401.24634	2.8
402.16269	9.6
421.98407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60018	0.8
55.05508	2.3
67.05495	2.0
69.03431	1.1
69.07063	2.0
71.61724	0.9
74.15215	0.9
79.05482	1.5
81.07049	5.1
83.04979	1.9
91.05469	2.7
93.07050	2.8
95.08630	2.1
97.06516	2.0
97.10102	1.3
98.23524	1.7
105.07019	3.3
107.08609	2.1
108.54797	1.0
109.10183	1.9
111.08029	0.9
119.08568	2.7
121.01192	0.9
121.06508	1.5
121.10129	2.4
129.06978	1.5
131.08574	1.4
133.10181	1.8
135.11644	1.3
143.08513	1.5
143.89120	0.9
145.06448	1.0
145.10100	1.0
147.11714	1.7
153.06914	1.2
159.08006	2.0
159.11629	1.5
165.07019	2.2
165.09016	1.3
167.07115	0.9
167.08580	1.2
168.05775	1.2
169.06372	1.2
169.10159	1.3
171.08072	2.0
171.11757	1.2
177.09108	1.0
179.08467	1.0
181.06482	2.3
182.07292	3.0
183.04427	1.3
185.05969	1.0
185.09778	1.0
188.08292	3.5
195.08084	1.4
196.05196	1.6
197.05991	2.7
197.09550	1.1
199.07584	2.9
203.10670	10.4
203.17926	1.6
210.06790	3.1
211.03922	2.3
211.07552	1.2
212.04836	1.4
213.05527	2.6
214.06209	1.8
215.06880	1.2
223.07480	1.8
225.05426	2.3
225.09114	7.4
226.06232	3.8
227.03433	1.5
227.06989	6.7
229.04811	2.3
229.08476	2.1
231.10074	1.4
235.07698	1.0
237.05179	1.4
237.09082	1.4
238.06264	2.9
239.03360	4.4
239.06958	2.3
240.07858	3.1
241.04955	2.3
241.08479	1.4
242.02177	1.1
242.05676	2.7
242.09413	1.8
243.06502	2.5
244.07265	1.0
249.08961	1.6
250.09967	1.4
251.07108	2.2
251.10641	1.3
252.07957	1.4
253.04973	2.8
253.08588	7.4
254.05724	36.9
255.06285	6.0
255.10168	1.3
256.07355	1.4
256.44104	1.0
257.04443	20.4
257.08035	2.9
259.09702	1.5
263.06976	1.6
264.07895	1.2
265.04892	1.4
265.08618	1.4
266.05551	2.9
266.09311	1.1
267.06366	2.4
267.10132	2.0
268.07294	2.7
269.08014	2.4
270.05212	4.6
270.08759	1.5
271.05942	7.3
272.06732	2.3
273.04010	1.3
273.07355	1.0
278.09396	2.1
279.10046	2.3
281.08063	15.3
282.05237	14.3
282.08362	1.9
283.05984	2.4
283.09579	3.1
284.06885	1.1
285.03909	5.8
285.07538	10.6
286.04700	1.4
286.08282	6.0
287.05545	3.0
287.09137	4.3
293.08029	1.9
293.11877	1.6
295.06192	1.6
295.09641	2.3
296.06802	1.9
297.07520	2.6
298.08426	2.7
299.08972	2.1
300.06253	29.1
300.09628	2.0
301.06961	5.0
301.10092	1.3
302.07910	2.4
307.09439	1.9
309.07620	1.5
309.11111	1.7
311.09131	11.6
312.09760	4.0
313.07352	1.9
313.10666	7.4
314.07782	1.4
314.11121	1.5
315.08606	100.0
316.08942	7.2
317.10214	15.6
318.07251	1.5
318.10529	1.3
321.11240	2.2
323.09137	2.0
323.12704	1.2
325.10699	1.7
326.11237	2.0
327.08563	1.8
327.12137	1.9
328.09418	2.1
329.10196	3.2
331.08151	2.7
333.09644	1.5
337.10718	2.7
339.12314	1.9
341.13809	1.3
342.10916	1.3
343.11740	12.2
344.12439	3.9
345.09586	3.7
345.13327	1.4
351.12289	5.3
352.12939	8.5
353.09912	1.4
353.13763	2.1
357.13211	1.5
368.12601	2.1
369.13214	3.8
370.14014	2.3
370.18100	1.5
383.10498	1.7
383.14871	18.5
384.15210	2.1
401.11499	1.7
401.15887	11.5
401.20074	1.5
401.24512	1.2
402.16223	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
54.03431	2.9
55.05508	9.8
62.27807	3.3
67.05503	9.0
68.99790	5.4
69.05397	28.9
69.07082	10.2
71.29633	3.0
79.05485	13.7
81.07066	15.9
83.04988	12.1
84.92166	3.1
85.02895	6.2
91.05488	7.7
93.07023	7.1
95.04955	10.8
95.08617	7.9
97.06543	26.1
98.23297	7.4
105.07025	7.1
107.04955	7.5
107.08585	3.7
109.10153	4.1
111.04445	6.4
119.08551	6.0
123.04443	31.7
129.07030	4.2
133.06529	3.7
135.04482	3.6
135.11668	3.4
139.03900	75.5
139.04866	6.0
141.05519	5.2
147.04393	4.3
147.08040	5.3
153.05470	100.0
161.06000	11.7
163.03975	5.4
165.06941	5.8
167.07124	6.1
173.05994	3.8
173.09700	4.0
175.07564	22.5
179.08458	4.1
181.05090	3.5
182.07312	6.0
187.07336	5.0
195.08119	5.5
199.62701	3.3
201.05466	4.3
201.09145	11.6
210.06796	10.8
212.08388	4.2
213.05501	5.4
214.06361	5.6
217.08511	17.1
219.10162	61.3
222.06778	4.6
223.07523	3.7
224.04832	4.1
225.09135	14.7
226.06252	6.5
226.09697	3.4
227.07018	10.1
229.05038	5.7
232.71629	3.3
233.11600	5.3
235.07578	4.4
237.05492	5.9
238.06345	7.5
239.07133	4.5
239.10558	3.7
241.05042	8.5
242.09438	5.3
243.02946	4.7
243.06485	5.7
247.09732	7.7
251.07031	8.3
253.05035	5.5
253.08600	21.1
254.05670	8.8
255.06465	9.6
256.07230	6.0
257.04550	11.1
257.08139	4.6
259.05991	18.8
265.05121	4.3
265.08429	6.4
266.05719	6.9
267.06522	8.6
267.10162	5.4
268.07367	4.2
269.04556	4.2
269.08109	6.4
270.08789	9.3
271.05960	15.3
271.09274	3.8
272.06387	7.2
275.05530	8.3
280.07288	9.8
281.08154	39.8
281.11349	5.2
282.08731	8.9
283.06015	7.1
283.09564	12.6
284.06735	10.4
285.03851	13.9
285.07584	10.9
285.11050	5.8
286.08438	16.8
287.05545	25.8
287.09186	9.7
294.08972	5.2
295.09488	7.5
297.07559	13.1
298.08334	17.4
299.05588	5.7
299.09064	11.0
300.06256	13.8
301.07184	8.6
301.10770	8.6
302.07846	23.9
303.04993	27.6
307.09729	7.4
309.11230	15.1
311.09131	11.9
313.07330	6.7
313.10724	30.2
314.07568	7.0
314.11218	5.3
315.08597	6.1
317.10233	52.5
318.07352	35.5
318.10629	5.4
323.09143	6.0
325.10965	6.0
326.11627	3.8
327.12180	7.6
329.10172	37.8
330.10931	6.0
333.09689	97.0
334.10013	11.8
336.09790	3.7
337.10696	14.2
339.08676	4.4
341.13791	8.1
343.11984	8.2
344.12485	41.9
345.09805	2.9
345.13364	57.6
346.13797	3.4
351.12238	5.5
353.10242	4.7
355.11606	8.5
369.13321	30.4
370.14041	20.7
371.11267	4.6
383.11115	4.8
386.13773	6.0
401.10959	6.5
401.15948	93.4
402.16351	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
62.79758	0.9
67.09945	0.7
69.19704	6.7
79.05498	1.2
85.06537	0.9
86.31898	0.7
89.21507	0.7
91.05473	1.0
95.08604	1.7
99.58987	0.7
105.07037	1.3
107.08625	0.9
128.06215	1.0
131.08528	0.7
133.06430	0.8
133.10083	1.1
139.05449	1.2
141.06963	1.0
145.06483	1.7
145.10143	0.7
145.97488	0.8
153.07024	1.0
155.08533	1.3
157.10117	0.9
159.08066	2.3
165.07007	2.3
167.08572	1.1
168.05704	1.5
169.06462	1.3
171.08022	1.1
173.09608	0.8
179.08542	1.1
181.06424	0.9
182.07288	3.2
183.04482	1.0
183.11461	0.8
184.05212	0.9
188.08318	4.3
192.09279	0.8
193.06679	0.8
193.08582	2.2
195.08095	1.5
196.08769	0.9
197.05977	2.4
197.09584	2.9
198.06763	1.5
199.03877	1.9
199.07576	4.1
201.09164	0.9
203.10649	12.4
207.11760	1.3
210.06836	4.2
211.03976	1.3
211.07520	1.5
212.08324	0.8
213.05513	2.0
214.06131	2.2
221.05937	1.0
221.13211	1.0
222.06705	1.0
223.07481	1.8
225.05457	2.1
225.09108	9.3
226.06244	3.5
227.03403	1.7
227.07027	7.8
228.07639	1.1
229.04871	2.3
229.08572	1.2
231.11925	1.0
235.07547	1.3
236.04686	0.8
237.05396	0.8
237.09131	1.6
238.06288	4.3
239.03366	3.2
239.07034	2.2
240.07797	3.9
241.04884	2.0
241.08583	1.7
242.05663	3.7
243.06451	2.2
244.07384	0.9
245.13304	0.8
249.05450	0.9
251.06987	2.5
252.07887	1.1
253.04956	3.2
253.08607	8.1
254.05731	34.6
254.08574	1.7
255.03220	1.5
255.06339	5.9
255.10146	1.3
257.04453	20.2
257.08054	3.1
258.04819	1.0
259.06201	1.1
259.09604	2.7
261.16086	1.0
263.07184	1.3
265.05038	0.9
265.08444	1.8
266.05637	1.4
267.02933	1.3
267.06393	3.1
267.09857	1.7
268.07306	2.9
269.04575	0.9
269.07947	1.6
270.05157	4.8
270.08725	1.1
271.06039	5.7
272.06714	1.9
273.03903	1.2
278.09375	2.2
279.06631	1.7
279.10068	1.7
280.07199	1.3
280.10587	0.8
281.08066	18.4
282.05276	14.2
282.08405	2.0
283.05832	3.9
283.09564	2.7
283.13248	1.1
284.06738	1.9
285.03970	5.9
285.07541	10.2
285.10748	1.3
286.04703	1.5
286.08344	5.2
287.05722	1.5
287.09109	3.0
293.08310	1.4
293.11707	2.2
294.12494	0.9
295.06152	1.2
295.09589	2.3
296.06860	1.9
297.07501	2.3
298.08182	1.8
299.05573	1.0
299.09045	2.7
300.06274	27.3
301.06854	4.2
302.07904	2.0
306.08881	1.1
307.09589	1.0
309.07788	0.8
309.11304	1.0
311.05618	1.5
311.09119	13.8
311.12686	1.4
312.09784	2.9
313.07062	2.5
313.10687	7.3
314.10995	1.0
315.08606	100.0
316.05649	1.4
316.08994	5.8
317.10168	7.5
318.07321	1.1
321.11224	1.7
322.08429	1.8
323.09076	1.1
323.12607	1.6
325.10510	2.2
326.11246	1.7
327.08618	1.6
328.09225	1.8
329.06613	1.3
329.10129	1.2
330.07236	1.9
331.08145	1.7
331.11615	1.1
336.09857	2.1
337.10657	2.6
339.12219	2.2
341.13892	1.3
342.10876	2.2
343.11774	17.5
344.12384	1.0
345.09702	4.5
351.12225	4.2
352.13083	8.6
353.10037	1.7
353.13864	1.8
357.13293	1.8
358.13568	0.9
368.12540	2.3
369.13242	2.2
373.16290	3.1
383.14920	21.2
384.15091	2.5
401.15991	5.7
401.20303	0.8
401.24677	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1595
Annotation	Pyramidatin F
Peak:m/z	Relative Intensity
53.03967	0.4
55.05505	0.5
67.05487	0.4
69.08035	3.3
79.05487	0.6
81.07066	0.4
83.04972	0.8
86.07601	0.3
91.05468	0.6
93.07034	0.6
105.07063	0.5
107.08603	0.4
119.08588	0.6
131.08543	0.5
132.76808	0.3
133.39555	0.3
143.08577	0.4
155.08572	0.4
157.06480	1.0
159.08119	0.5
165.07008	0.5
169.10129	0.4
175.07533	0.4
181.10127	0.6
193.10185	0.5
195.08084	1.1
197.09720	0.8
198.10257	0.5
203.10695	0.5
207.11800	0.4
208.08830	0.5
209.09634	1.3
210.82411	0.3
211.07642	0.8
213.05472	0.4
219.11473	0.4
221.08037	0.7
222.06772	0.5
223.11214	0.9
224.08290	0.5
225.09096	0.7
226.09912	0.6
227.07121	0.4
227.10637	0.4
232.82994	0.3
235.07695	0.4
236.08279	0.7
237.09140	1.3
239.07008	1.0
239.10645	0.6
240.07764	0.7
241.04927	1.1
241.08598	0.7
241.12256	0.5
247.11205	0.4
249.09094	0.7
250.06255	1.5
251.07001	1.1
251.10707	0.8
252.07747	0.4
253.08618	1.0
254.05707	0.4
254.09497	0.8
261.09122	0.6
263.07245	0.6
264.07748	1.6
265.06116	0.4
265.08517	1.7
266.09433	0.5
267.06537	1.2
267.10110	0.8
268.07306	0.5
269.04440	0.5
269.08109	0.7
269.11755	1.1
271.09604	0.5
277.08572	0.8
278.05746	0.8
279.06577	1.1
279.10178	1.7
280.07336	0.5
281.04553	0.5
281.08081	1.6
281.11292	0.4
282.08841	1.3
283.09531	1.7
285.07538	0.8
286.08514	0.4
287.05432	0.9
287.14291	0.6
289.08481	0.5
292.07336	1.1
293.07968	2.2
294.08792	0.7
295.06018	3.4
295.09610	1.0
296.06607	1.4
296.09955	0.6
297.07538	0.9
297.11194	2.7
298.08237	0.5
299.09091	0.4
302.07849	0.8
305.08215	0.5
307.06186	0.7
307.09616	1.9
308.10367	0.8
309.07504	1.6
309.11197	1.6
310.08264	3.4
311.05704	0.8
311.09134	4.7
311.12811	2.7
312.09973	0.8
312.13278	0.5
313.07019	1.4
313.10568	0.7
314.07620	0.4
315.12292	0.5
317.10080	0.5
321.07648	0.6
322.08401	0.6
322.12000	0.5
323.05505	1.7
323.09100	1.0
324.06503	0.6
324.09900	1.6
325.07062	1.6
325.10651	11.9
326.07858	0.5
326.11105	1.8
327.08627	0.9
327.12280	1.5
328.09338	1.2
335.09067	0.7
336.09915	0.5
337.10477	1.7
338.07886	1.8
338.11584	0.6
339.08600	3.9
339.12320	2.1
340.09253	1.2
340.12985	7.9
341.06564	3.5
341.10141	0.7
341.13614	1.2
342.07150	0.6
343.11697	4.8
344.12045	0.8
350.11438	0.5
353.10181	7.1
354.10791	1.8
355.08035	1.4
355.11771	1.3
356.08771	3.1
357.09384	0.6
357.13379	2.1
368.12509	4.3
369.13303	5.3
370.13992	1.1
371.11237	32.2
372.11600	3.2
373.16495	0.7
385.12799	7.9
386.13583	10.0
387.13995	0.9
401.15945	100.0
402.16357	11.1
402.20819	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
52.44469	0.4
52.82674	0.4
53.03913	0.5
55.01849	0.6
55.05501	0.5
65.03919	0.5
67.05485	0.6
69.64797	1.2
69.65208	1.3
72.41265	0.4
76.20575	0.4
79.05476	0.7
81.07052	0.9
91.05479	4.2
95.04970	1.4
98.23313	0.7
102.04737	0.4
103.05470	60.2
104.05795	2.0
105.07030	3.7
107.04957	0.5
115.05447	1.5
119.04967	3.5
130.45035	0.4
131.04929	100.0
132.05241	4.1
133.06490	2.7
137.06006	1.1
137.09642	0.6
139.07507	0.7
145.10144	0.6
147.04407	6.3
151.07578	0.7
159.08109	0.5
161.05975	5.5
163.07541	17.2
164.07962	0.7
167.06998	0.5
179.07014	3.5
179.08322	0.4
197.06001	0.5
199.07616	1.3
205.10127	0.7
211.07718	1.2
213.09109	0.5
219.10101	0.6
220.08751	0.4
221.09647	0.7
223.07512	0.9
224.08397	0.5
225.05467	0.5
225.09273	0.7
226.06210	0.8
227.07063	1.1
228.07835	0.5
229.08597	0.9
231.08154	0.9
235.07568	0.7
235.11305	0.8
236.08386	0.5
237.09138	0.6
237.95345	0.4
239.07182	0.8
239.10966	0.4
240.07840	1.0
241.05029	0.8
241.08620	1.1
242.05708	0.4
243.06651	1.7
247.07678	0.5
247.11095	0.5
248.08321	0.7
248.12233	0.5
248.54877	0.4
249.09024	0.7
249.12962	0.5
250.09743	0.6
251.07164	0.9
251.10849	1.3
252.11502	0.8
253.08727	1.4
255.06602	1.4
256.07373	1.1
257.08170	1.2
258.09000	0.7
259.05960	0.5
263.06955	0.5
263.10803	1.8
264.07785	0.5
264.11438	1.0
265.08588	1.3
265.12372	1.0
267.06583	1.6
267.10205	1.1
267.14078	0.7
268.10995	0.7
269.08154	1.4
269.11417	0.5
270.05365	0.7
270.09030	1.3
271.06219	0.9
271.09854	1.3
272.06857	0.5
274.08429	0.8
277.08719	1.2
278.09329	0.5
278.12964	0.8
279.10229	2.9
279.13586	0.9
280.07690	0.5
280.10858	2.6
281.08203	2.0
282.08972	1.8
283.06207	0.9
284.06921	0.6
284.10434	0.5
285.07755	1.9
285.11276	1.2
286.08475	1.7
287.05515	1.3
287.09171	1.2
290.09424	0.5
291.10208	3.4
292.07526	0.5
292.10959	1.6
293.08307	1.1
293.11810	2.3
294.12558	2.0
295.09805	1.6
295.13394	4.1
296.10538	2.0
296.13748	0.6
297.07645	1.0
297.11047	0.6
298.08459	1.6
299.09134	2.6
299.12366	0.6
300.09915	0.6
301.07187	0.9
301.10739	1.7
302.07928	1.3
303.08838	1.3
305.11908	0.9
306.12607	1.2
307.09708	1.2
307.13351	1.3
308.10358	1.5
308.13910	0.7
309.11169	1.6
309.14954	2.6
310.15701	0.7
311.09161	0.9
311.12741	1.0
312.10025	1.7
313.10641	5.0
314.11429	2.3
315.08676	1.2
315.12366	0.5
317.10214	3.4
318.11035	4.6
319.11044	0.5
321.11313	0.9
322.11963	2.1
323.12704	7.5
323.16449	0.5
324.13589	1.2
325.10818	1.3
326.15173	0.8
327.12317	3.7
327.15799	0.7
328.12912	2.3
329.10321	0.8
330.11154	1.3
331.11984	1.8
332.12479	5.8
333.13309	1.7
337.14325	13.8
338.15063	5.5
339.12320	2.6
339.15976	1.6
340.12961	0.7
341.17419	3.1
343.11713	1.0
344.12808	0.9
345.13333	4.0
354.14713	1.6
355.15454	4.8
357.13266	1.1
358.14334	0.6
359.15005	3.3
369.16974	11.3
369.21310	0.6
370.17728	11.1
370.22421	0.7
371.14954	1.8
371.18781	0.7
372.15479	0.9
386.17230	2.4
401.19821	15.0
401.24945	2.5
402.20172	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84758	0.9
55.05511	3.9
55.48188	0.9
69.07059	1.5
70.06599	2.3
71.30111	1.6
81.07049	2.3
83.04993	2.7
88.07626	3.4
93.07073	1.8
95.08596	2.5
102.09190	2.2
119.08582	1.4
123.08109	1.3
129.06923	1.3
155.08621	1.2
156.05374	1.0
157.10136	1.4
165.07054	1.9
169.06438	1.5
171.04509	1.2
178.00395	0.9
179.08652	1.0
181.06429	1.8
182.07301	3.4
183.04395	1.9
184.05147	2.7
195.08057	1.5
196.05238	1.9
197.02406	1.1
197.09627	2.3
198.06822	1.1
199.03899	1.4
199.07568	5.3
203.10768	1.4
210.06740	5.1
211.03944	1.8
211.07510	2.7
212.04648	3.0
213.05539	2.3
214.06270	1.6
223.07361	1.1
224.04759	1.0
224.08366	1.2
225.05505	1.4
225.09050	11.0
226.06230	3.4
226.09698	1.0
227.03429	1.9
227.06973	7.4
228.07640	2.0
229.04910	3.8
236.08080	1.0
238.06203	5.0
239.03398	7.1
239.07005	3.0
240.03839	5.6
240.07794	2.2
241.04810	4.1
241.08620	1.9
242.02029	1.2
242.05681	4.7
243.02777	1.1
243.06587	2.3
244.03249	1.6
245.04295	1.3
251.06918	2.1
252.07875	3.7
253.04886	2.8
253.08604	10.8
254.05743	32.8
254.08688	1.6
255.06439	5.6
256.07312	1.6
257.04498	15.6
257.08084	3.2
258.04953	2.9
259.05978	1.1
259.09409	1.4
265.08490	1.2
266.05728	2.3
267.03024	1.1
267.06558	3.5
267.10110	2.7
268.03360	1.9
268.07254	2.4
269.04449	2.1
269.08118	2.7
270.05197	4.5
270.08743	2.3
271.05893	7.3
272.06573	2.7
273.03632	1.7
277.08594	1.3
279.06342	1.1
280.07281	2.2
281.08084	22.0
282.05280	10.9
282.08646	3.5
283.05981	1.3
283.09573	3.0
284.06839	1.2
285.03986	10.5
285.07593	12.5
285.10675	1.6
286.04544	11.4
286.08014	9.0
286.11316	1.9
287.05359	6.5
287.09067	4.4
288.06012	2.3
293.11749	2.4
295.09698	4.0
296.06644	1.3
296.09964	1.5
297.07587	4.5
298.08389	2.6
299.05508	1.9
299.08905	2.4
300.06271	37.0
300.09641	2.2
301.06964	8.6
302.07495	8.7
303.04700	2.2
303.07895	1.3
309.11148	1.7
311.09125	7.5
311.12457	2.2
312.09906	3.3
313.07037	3.6
313.10672	7.1
314.07779	2.2
315.08615	100.0
316.05719	2.3
316.09061	7.3
317.06454	4.4
317.10239	10.4
318.07004	10.9
319.06961	1.5
321.11475	2.2
323.12991	2.5
325.10645	1.8
327.08502	2.3
327.12057	1.9
328.09607	2.1
329.10043	3.2
330.07370	4.5
331.08066	7.8
337.14423	1.4
338.34140	2.9
341.13773	1.7
342.10867	1.7
343.11755	21.4
344.12289	2.5
345.09613	5.5
345.13318	1.3
351.12350	2.3
352.13043	1.6
353.13858	1.3
357.13269	3.7
359.14853	1.7
369.13181	2.5
369.17279	2.2
370.17737	2.5
371.14749	1.2
373.16458	3.9
383.15070	6.3
386.13684	1.1
400.37930	7.4
401.11594	3.2
401.15933	10.6
401.20398	1.5
401.24023	5.5
401.38193	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92445	1.0
69.07070	1.3
70.62495	1.8
95.08602	1.7
109.27897	1.3
140.56439	1.1
168.05603	1.4
169.06526	1.3
179.05765	1.1
182.07298	2.4
184.05246	2.9
188.08360	4.6
196.05215	1.3
197.05977	1.9
197.09540	1.4
199.07529	4.0
203.10672	9.6
210.06712	3.6
223.07556	1.9
225.05505	2.4
225.08936	6.1
226.06197	3.1
227.03450	1.7
227.07018	7.1
229.05049	1.2
231.10196	1.9
236.08171	1.2
238.06177	3.0
239.03371	3.0
239.07057	1.7
240.07828	2.5
241.04881	1.7
241.08594	1.8
242.05681	2.8
242.09418	1.4
243.06464	2.1
252.07899	1.2
253.04849	1.7
253.08574	7.1
254.05724	32.6
255.06342	5.1
255.10094	1.8
257.04422	17.9
257.07529	2.0
257.08011	2.7
258.04922	1.9
259.09814	2.6
266.05807	1.5
267.06445	2.3
267.09973	1.1
268.07236	2.9
269.08063	1.9
270.05234	4.1
270.08743	1.5
271.06113	5.5
272.06613	2.1
279.10068	1.6
281.08069	16.9
282.05264	13.1
283.05826	2.1
283.09647	3.3
285.03940	5.3
285.07578	8.6
286.08261	4.6
287.09305	2.4
293.11594	2.2
295.09521	1.9
296.06744	1.2
297.07480	2.1
298.08371	1.6
299.08865	1.9
300.06268	26.8
301.06824	3.2
302.07843	2.3
311.09204	11.9
312.09738	2.3
313.07257	1.9
313.10648	5.5
314.07822	1.3
315.08609	100.0
316.08936	6.5
317.10178	9.3
318.10739	1.3
321.11398	1.9
322.08365	1.7
325.10526	2.0
327.08444	1.3
328.09457	2.9
329.06537	1.4
331.08072	3.1
337.10529	1.8
339.12463	1.5
342.10965	1.7
343.11780	16.2
344.12109	1.6
345.09641	3.5
351.12332	3.7
352.12970	8.8
353.13840	2.1
368.12421	2.0
369.13144	2.5
383.14935	19.3
401.16086	5.9
401.25168	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90713	0.7
55.05502	0.9
56.34911	0.6
67.05486	1.3
69.07071	1.3
69.15772	6.2
79.05470	1.0
81.07053	1.3
83.04985	2.4
91.05495	1.7
93.07080	1.7
95.08604	1.1
97.69134	0.6
98.22600	1.4
105.06987	1.7
107.08609	1.6
107.66373	0.7
111.04460	0.7
111.93933	0.8
119.08578	0.9
121.06496	0.6
131.08580	1.1
133.10185	0.9
139.81543	0.9
141.06975	0.8
143.08519	1.6
145.10138	1.2
153.07018	1.3
155.08534	2.3
155.47653	0.7
157.10132	0.9
159.08018	1.8
165.06995	1.3
167.08540	1.2
168.05687	2.6
169.06483	1.6
169.10178	0.8
171.08047	1.1
178.07712	1.0
179.08553	2.0
181.06526	0.8
181.10164	0.8
182.07275	2.8
183.08000	1.0
184.05209	2.0
185.05956	1.2
188.08325	3.2
193.10101	0.8
194.07440	0.9
194.10811	0.9
195.07971	1.8
195.11673	0.9
196.05093	1.1
197.05972	2.4
197.09630	3.6
198.06731	1.6
199.03922	1.1
199.07513	4.3
201.08934	1.0
203.10663	12.7
205.10101	2.1
206.10974	1.4
207.07921	1.0
207.11790	1.3
209.05840	0.8
209.13297	1.1
210.06746	6.1
211.03876	1.2
211.07458	3.3
212.04671	2.4
213.05461	1.5
214.06223	3.0
215.06876	1.0
217.10121	1.5
219.11841	1.6
221.13275	0.9
222.06827	0.9
223.07526	2.7
224.08408	1.7
225.05444	2.1
225.09087	9.8
226.06264	3.8
226.09518	1.0
227.03551	1.8
227.06972	6.6
228.07803	1.3
229.04951	2.4
229.08591	2.5
231.06456	0.8
231.09984	1.3
232.12529	1.3
233.13181	1.2
235.07544	2.4
237.05473	1.4
238.06300	3.6
239.03363	4.0
239.07034	2.5
240.04082	1.0
240.07790	3.2
241.04944	2.2
241.08620	2.0
242.05696	3.6
242.09428	2.1
243.06546	1.9
244.07378	1.3
245.13312	1.9
246.14029	1.4
247.14841	2.3
251.07028	2.9
251.10689	0.9
252.07799	2.8
253.05029	2.1
253.08607	10.5
254.05736	40.7
255.06366	6.1
255.10155	1.7
257.04425	20.5
257.08038	2.7
257.13062	0.9
259.09650	2.5
259.14902	0.9
261.16354	2.7
262.16843	1.1
263.07001	1.7
266.05740	2.7
267.06491	2.3
267.10190	1.9
268.07306	3.8
268.10617	0.9
269.04449	1.1
269.08203	1.6
270.05231	4.9
270.08627	1.7
271.06006	7.2
271.08847	0.9
271.09763	0.7
272.06711	2.0
272.15506	1.3
273.04111	1.1
273.16275	1.1
277.08698	1.2
278.09296	2.6
279.06693	1.1
279.09915	1.4
280.07272	1.3
280.10770	1.3
281.04880	0.8
281.08072	17.4
281.11349	0.7
282.05261	15.6
282.08340	1.4
283.05865	2.0
283.09665	2.9
284.06747	1.3
284.09833	0.9
285.03970	5.2
285.07574	9.0
285.11209	1.9
286.05042	1.5
286.08334	4.8
287.05777	1.5
287.09146	4.5
287.17856	2.9
291.10034	1.6
293.08038	1.7
293.11670	2.3
295.06180	1.7
295.09683	2.7
296.06824	1.7
297.07535	2.3
298.08173	1.8
299.05557	1.0
299.08981	1.5
300.06268	32.5
301.06812	4.6
302.07867	1.9
302.20297	1.2
307.09598	1.6
308.10324	1.2
309.11130	1.0
311.09201	12.7
311.12622	1.2
312.09714	3.8
313.07080	2.7
313.10684	7.3
314.07672	1.2
314.11075	0.9
315.08609	100.0
316.08963	7.2
317.10226	8.8
318.10822	0.9
319.09528	0.9
321.07651	1.4
321.11154	2.2
322.08398	1.0
323.09180	1.6
323.12820	1.4
325.10654	2.2
327.08621	1.3
328.09531	1.8
329.10263	1.6
330.07370	2.3
331.08185	2.2
336.09839	2.0
337.10645	3.2
339.12152	1.4
343.11755	19.4
344.12177	1.5
345.09573	5.0
345.13324	0.9
351.12259	4.8
352.12933	8.2
353.10126	1.8
353.13779	1.8
357.13232	1.6
368.12518	1.9
369.13254	2.0
371.14957	1.1
373.16464	2.0
383.14932	18.6
383.19504	1.1
384.15292	2.0
386.13498	1.0
401.16501	7.1
401.24783	19.1
402.24969	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80473	0.3
53.03946	2.2
53.15622	0.3
55.05495	0.6
59.79847	0.3
65.03925	0.8
66.04709	0.6
67.05497	0.4
67.71112	0.3
68.99780	0.4
70.06561	0.4
71.04972	0.3
75.04462	0.4
77.03918	0.6
78.04678	0.5
79.05058	0.4
79.05497	5.7
80.16184	0.3
81.03425	3.7
81.07055	2.8
83.08568	0.3
88.07604	0.8
91.05491	0.7
93.03413	0.5
94.04186	1.6
95.04965	2.0
96.05759	2.2
98.22559	0.7
102.09170	0.3
105.03397	0.4
105.04487	0.6
107.04950	0.5
108.05709	0.8
109.02902	0.9
109.06527	3.4
111.08071	0.8
111.65162	0.3
113.02377	0.4
113.06010	0.7
121.02867	0.9
122.03642	3.6
124.05206	4.7
128.04681	0.8
131.08559	0.4
137.02353	1.2
139.07547	7.2
141.01859	0.5
151.03893	2.1
151.07500	0.5
152.04680	9.5
155.06982	1.0
156.04158	1.2
159.07985	0.7
161.05966	0.4
162.03151	0.3
165.05481	27.6
166.05830	0.8
167.03345	0.4
167.07040	1.7
173.09550	0.4
174.10394	0.3
175.07565	0.6
176.08379	0.5
180.04178	0.6
181.08620	0.4
182.09369	0.4
184.03671	0.4
185.08113	1.0
187.07477	0.5
189.09064	0.3
190.09930	0.4
191.10687	0.8
195.06529	100.0
196.06871	4.6
199.07468	0.3
201.09056	0.3
203.84575	0.3
205.12259	2.0
218.09375	0.6
219.10150	0.9
223.07788	0.4
225.09004	0.6
227.06906	0.6
228.07643	0.3
229.29041	0.4
232.10776	0.4
233.11638	1.8
235.11082	0.3
236.11932	0.3
239.06985	0.6
240.11403	0.3
249.09132	0.7
251.10637	0.4
252.11339	0.4
253.08647	0.6
254.09433	0.6
255.06514	0.5
256.07315	0.5
257.08038	0.9
261.09357	0.4
263.10696	1.1
264.07681	0.3
264.11475	0.8
265.08636	0.9
267.13846	0.4
268.10913	1.0
269.08096	1.0
269.11569	0.4
270.08801	0.8
271.06360	0.4
271.09653	0.8
277.08640	0.7
277.12082	0.3
278.09402	0.5
278.12869	0.3
279.10114	1.3
279.13602	0.3
280.10904	1.1
281.08044	0.5
282.08893	0.7
283.06180	0.4
283.09509	0.3
284.10550	0.4
285.07547	0.7
285.11115	0.5
286.08304	0.7
287.09125	0.5
291.10001	0.8
292.10980	1.0
293.08121	0.8
293.11777	1.2
294.08536	0.4
294.12366	0.5
295.09775	0.6
295.13306	2.3
296.10339	0.8
297.07651	0.5
297.11032	0.5
298.08331	0.5
299.09192	0.8
301.10672	1.2
302.07742	0.4
306.12506	0.6
307.09711	0.9
307.13269	1.4
308.10498	1.2
308.13922	0.5
309.11139	1.2
309.14536	0.5
310.11728	0.4
311.12714	0.9
312.09692	0.5
313.10724	1.8
314.11499	1.2
315.08688	0.4
317.10287	1.5
318.10913	0.9
321.10999	0.4
322.11996	0.9
323.12775	5.6
324.10098	0.4
324.13559	1.1
325.10638	0.5
327.12079	1.6
327.15897	0.7
328.12881	1.4
329.09961	0.5
330.10928	0.7
331.11649	1.0
332.12527	2.0
333.13272	0.6
337.14456	2.0
338.15082	5.9
338.34189	0.6
339.12170	1.2
339.15692	1.4
339.34689	0.4
340.12848	0.7
341.17529	0.8
344.12527	0.4
345.13333	1.8
352.16516	0.7
353.13754	0.6
354.14752	1.3
355.15320	2.6
357.13174	0.4
358.13965	0.4
359.10730	0.4
359.14844	2.5
369.16998	6.0
370.17728	7.3
371.14313	0.4
371.18451	0.5
372.15768	0.4
383.18347	0.4
386.17267	1.9
387.17615	0.3
400.37756	1.6
401.19592	19.2
401.38177	1.4
402.19858	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	1.9
75.04456	0.5
79.05454	0.8
81.07010	0.6
83.08572	1.4
87.34767	0.5
95.08548	0.6
105.06947	0.6
128.06154	0.6
137.05960	1.6
143.08620	0.6
151.07492	0.7
153.06958	0.7
157.06398	0.6
159.07906	0.6
165.05458	0.7
165.06908	0.8
168.05612	0.8
169.06462	1.4
171.08052	1.3
175.07446	0.7
181.06476	2.5
181.08542	1.6
182.07147	0.8
183.04311	0.7
183.07925	1.1
184.05077	1.4
185.05905	1.3
187.07501	1.0
189.09003	1.2
195.08069	1.1
196.05196	0.6
197.05989	4.0
198.06700	2.7
199.07518	10.0
200.08186	0.7
201.05452	0.6
203.06978	0.9
203.10672	0.7
204.11366	0.9
209.05824	1.0
210.06731	1.3
211.03870	0.7
211.07518	4.5
212.04652	2.4
212.08302	2.0
213.05443	1.9
213.09061	2.0
214.06223	1.4
215.07043	3.0
218.09308	1.7
219.10153	2.7
223.07552	1.2
224.08342	1.4
225.05452	3.1
225.09027	1.2
226.06317	2.8
226.09979	0.8
227.07008	27.9
228.04158	1.2
228.07547	3.3
228.77631	0.6
229.08574	2.9
233.11771	1.9
234.12512	1.7
235.13287	1.8
237.09039	0.9
239.06998	4.9
240.07750	4.1
241.04887	2.5
241.08597	8.0
242.05676	2.2
242.09367	15.4
243.06509	9.1
243.10027	2.6
244.06964	1.0
245.07861	0.8
249.08937	1.4
249.51161	0.6
251.07027	0.9
252.07869	0.8
253.05034	1.2
253.08551	1.9
254.05748	2.5
254.09212	1.0
255.06517	9.7
255.10181	2.0
256.07245	3.5
256.10727	1.0
257.08075	10.4
258.08850	8.0
259.09500	0.7
264.11560	0.9
265.08725	1.1
265.12140	1.5
266.09305	1.0
267.06577	1.3
267.10080	1.5
268.07236	2.8
269.08066	15.3
269.11197	0.8
270.05347	1.9
270.08813	15.9
271.06012	6.1
271.09534	5.7
272.06256	1.1
272.10251	1.1
273.07623	1.9
273.11188	11.7
274.11588	0.7
279.10254	0.9
280.07239	0.6
280.10983	1.0
280.14389	0.8
281.08069	2.4
281.11600	1.4
282.05457	0.8
282.08759	2.1
282.12054	0.8
283.06030	2.0
283.09647	3.4
283.12738	0.9
284.06775	2.1
284.10434	3.4
285.07553	36.0
285.10739	1.4
286.08185	7.4
287.09055	3.1
287.12408	1.0
288.09839	1.1
292.11197	0.6
293.08478	0.6
293.11673	2.0
294.12250	0.9
295.09662	1.3
295.13171	1.4
296.10373	1.0
297.07535	2.1
297.10983	1.1
297.14694	0.9
298.08423	1.1
298.11926	1.6
299.05728	0.8
299.09061	9.0
299.12375	0.9
300.09894	80.2
301.07034	2.6
301.10583	33.5
302.07849	0.8
302.11053	2.7
303.12122	1.4
308.14090	0.8
309.11191	1.8
309.14670	0.9
311.09183	1.0
311.12704	1.8
311.16412	1.1
312.13516	0.9
313.10574	2.7
313.14005	1.3
314.08109	0.8
314.11380	2.2
315.08563	4.7
315.12286	2.5
316.09399	6.0
317.09958	2.0
318.10959	1.2
319.11630	0.7
323.12668	2.0
324.13373	0.9
325.10977	0.9
325.14127	3.2
326.11557	0.7
327.12314	1.9
329.10144	3.8
329.13705	1.1
330.10800	1.6
331.11716	34.7
332.12128	3.7
337.14212	1.3
339.12613	2.6
339.15411	3.0
340.12848	0.9
340.16650	4.6
341.13834	1.6
341.17450	1.1
343.11722	1.6
343.19138	1.5
354.14478	1.2
355.15335	3.8
356.16052	1.4
369.16895	1.5
370.17712	14.5
371.14581	0.8
371.18533	13.3
372.19092	0.7
386.17206	20.1
387.17609	1.9
400.37738	1.0
401.19562	100.0
402.19934	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1956
Annotation	Deoxygomisin A
Peak:m/z	Relative Intensity
55.05490	1.3
56.92624	0.8
58.11923	0.8
59.63220	0.7
61.86829	0.8
69.41964	5.1
129.07133	0.9
137.05975	1.1
153.07097	0.8
165.05447	1.0
169.06538	1.0
181.06546	1.1
181.08559	1.0
183.08069	1.1
195.08098	1.1
197.05991	2.4
198.06787	2.2
199.07538	7.8
200.04510	0.9
203.06972	1.0
204.11566	1.0
211.07544	2.8
212.04706	1.3
212.08398	1.1
213.05516	1.3
213.09084	2.0
214.06152	1.2
215.07030	2.5
217.08575	1.1
219.10141	2.1
225.05504	2.1
226.06259	2.2
226.32840	0.9
227.07024	25.4
228.07599	2.2
229.08580	1.9
229.54745	0.9
233.11772	1.0
234.12405	1.6
235.13263	2.0
239.07039	3.4
240.07759	2.2
241.04929	0.9
241.08604	5.6
242.05818	2.1
242.09398	13.3
243.06462	6.2
243.09883	2.2
244.07199	0.9
246.48755	0.9
253.08638	1.3
253.12114	1.0
253.59853	0.8
254.05734	1.6
255.06544	6.5
255.10097	1.9
256.07205	3.2
256.10904	1.7
257.08084	6.5
258.08789	5.5
265.08572	0.9
267.06317	1.8
268.07260	2.3
269.08072	11.6
270.05380	2.2
270.08902	10.0
271.06177	4.8
271.09525	5.1
273.07486	1.1
273.08078	1.3
273.11224	10.2
279.10159	1.6
281.08267	1.3
281.11801	1.1
282.08771	1.7
283.09763	2.4
284.06793	1.7
284.10425	1.8
285.07565	29.2
285.10846	1.5
286.08337	5.8
286.11105	1.0
287.09042	2.1
293.11673	1.4
297.07449	1.1
297.11230	1.1
299.09128	8.3
300.09918	79.3
301.07175	1.9
301.10611	28.2
302.11194	2.3
311.12729	1.8
311.16229	1.1
313.10797	1.3
315.08716	1.7
315.11914	1.5
316.09427	4.6
319.11740	2.3
323.12692	1.8
325.14322	2.1
327.12415	1.1
329.10199	2.4
330.10938	2.0
331.11749	31.5
332.12115	1.6
339.15976	2.0
340.16779	4.2
343.19147	1.4
355.15451	2.9
370.17706	11.7
371.18573	11.9
386.17221	19.5
387.17569	2.2
401.19586	100.0
402.19952	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85455	1.2
54.05858	1.3
57.07062	1.1
61.62385	1.1
61.78620	1.1
67.34164	1.2
69.07054	2.3
69.16533	10.9
69.16869	1.5
76.11006	1.1
79.83272	1.0
85.02882	1.4
86.56495	1.3
88.47425	1.3
123.44382	1.2
131.08578	1.6
152.03432	1.2
152.06213	1.4
158.07187	1.4
159.08055	3.4
167.07060	2.5
169.06456	2.4
179.08574	1.4
181.06439	3.3
181.08658	2.0
183.08093	2.5
185.06036	2.1
187.07423	1.8
188.08247	1.5
191.10643	3.6
194.07266	1.4
195.08096	1.5
196.08913	2.1
197.06009	4.4
198.06741	2.5
199.07524	2.4
201.09154	1.6
203.08591	1.5
203.10599	1.8
207.08051	1.4
208.08830	1.3
209.05966	2.1
209.09502	2.0
210.06801	3.0
211.07588	7.1
212.04620	2.1
212.08250	2.8
213.05475	3.5
213.09035	3.3
214.06302	4.4
215.07001	2.1
218.07201	2.2
219.08105	2.4
219.10168	4.0
220.08847	3.3
221.05936	1.3
221.09564	1.9
222.06792	3.1
223.07672	3.1
223.11040	1.4
224.04680	2.7
224.08325	2.0
225.05496	3.2
225.09134	5.1
226.06233	4.8
226.09613	1.6
227.07031	9.2
228.04233	2.0
228.07765	5.0
229.05087	2.1
229.08495	6.2
231.06471	2.4
232.08765	1.7
233.09618	3.1
234.07010	1.6
234.10405	2.7
234.12643	2.0
235.07487	3.1
235.11131	4.5
236.08167	3.7
236.11940	1.6
237.05341	2.9
237.09135	4.8
238.06250	4.7
238.09822	2.3
239.07002	7.2
239.10695	2.5
240.07845	9.0
241.04889	3.8
241.08534	11.1
242.05708	4.8
242.09282	4.8
243.06487	16.3
247.07513	3.9
248.08354	4.2
249.09039	8.8
249.12915	2.7
250.09818	2.6
251.07053	3.5
251.10605	9.4
252.07977	2.5
252.11407	8.1
253.04996	3.1
253.08582	13.8
253.12097	2.9
254.05876	3.2
254.09303	5.6
255.06523	12.8
255.10135	4.7
256.07190	8.8
257.08084	12.7
257.11972	1.7
258.04950	1.3
258.08859	6.9
259.05972	7.5
260.06497	1.5
261.09177	5.3
262.09860	4.2
263.10620	11.6
264.07837	3.6
264.11420	10.0
265.08630	10.4
265.12134	5.8
266.05826	2.2
266.09222	3.2
266.13040	2.1
267.06528	16.6
267.10120	6.0
267.13766	4.0
268.07257	5.4
268.10901	4.3
269.04596	2.5
269.08078	11.7
269.11584	3.8
270.05573	2.4
270.08871	11.9
271.06509	8.3
271.09354	9.3
272.06720	5.8
272.09952	1.6
273.07617	3.0
274.08316	3.7
275.10626	2.3
276.07907	2.0
276.11310	2.8
277.08914	6.8
277.11880	6.7
278.09277	4.3
278.12958	6.3
279.06750	2.2
279.10162	21.4
279.13754	5.8
280.07516	2.5
280.10858	15.5
280.13995	1.9
281.08066	21.4
281.11566	5.7
281.15372	1.1
282.08795	18.4
283.05984	6.5
283.09512	6.7
283.13068	2.3
284.06818	3.4
284.10422	6.3
285.07605	12.5
285.11160	7.5
286.08301	15.3
287.05447	4.7
287.09085	10.2
288.06259	2.1
289.10672	5.0
291.10175	14.6
292.07761	1.9
292.10916	13.7
293.08075	8.6
293.11688	10.9
294.08865	4.3
294.12469	9.9
295.09677	9.1
295.13269	33.2
295.16400	2.3
296.07101	2.5
296.10413	18.3
296.13751	3.9
297.07574	6.5
297.11108	5.6
298.08328	12.6
299.09113	21.9
299.12708	4.5
300.09769	4.2
301.07089	4.6
301.10681	14.0
302.07858	11.6
302.11273	3.2
303.08533	13.3
305.11749	5.1
306.09052	2.4
306.12448	12.8
307.09595	13.2
307.13260	9.9
308.10342	12.4
308.13983	6.3
309.11130	14.4
309.14835	19.6
310.11914	3.2
310.15533	7.7
310.18741	1.5
311.09061	4.5
311.12735	10.1
311.16104	2.6
312.09912	13.5
312.13440	2.8
313.10660	38.3
313.13919	1.5
314.11359	14.2
315.08572	8.3
315.12335	5.4
316.09427	4.5
317.10162	30.8
318.10944	39.7
319.11374	5.4
321.11221	5.9
322.12015	12.8
323.12778	66.8
323.16211	2.4
324.09875	2.0
324.13300	15.5
325.10654	7.2
325.14142	2.5
326.11389	3.7
326.15167	5.9
327.12268	27.7
327.15955	5.8
328.12964	18.0
329.09998	6.6
329.13580	1.9
330.10907	10.8
331.11740	15.2
332.12512	43.1
333.13199	13.3
336.13513	1.8
337.14307	59.2
338.15045	40.3
339.12189	22.4
339.15894	16.6
340.12906	9.4
340.16446	2.1
341.13638	4.1
341.17404	22.5
343.11890	3.0
344.12540	5.1
345.13336	26.9
346.13858	5.2
351.15717	2.8
352.16608	2.9
353.13757	3.5
354.14661	11.9
355.15393	47.6
356.15787	3.9
357.13153	2.6
358.14084	4.2
359.14859	26.9
360.15323	2.8
369.16959	71.6
370.17685	100.0
371.14767	6.0
371.18884	9.0
372.15546	3.8
373.16272	1.9
386.17209	17.9
387.17575	2.7
401.19559	95.3
402.19690	8.4
406.50989	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1956
Annotation	Lintetralin
Peak:m/z	Relative Intensity
69.07059	3.8
70.65071	1.6
105.52068	1.7
119.04256	1.8
128.72372	1.6
139.07654	2.4
147.17036	1.8
149.24399	1.7
159.08134	3.7
167.06985	1.8
181.06424	2.7
195.08099	2.1
196.05202	2.1
197.06012	2.8
199.07579	2.8
202.09976	1.6
209.06093	2.5
211.07587	3.1
212.08493	2.9
214.06244	3.6
215.07005	2.0
219.10184	2.4
223.07460	1.8
223.11278	2.4
224.08316	2.8
225.05460	4.6
225.09157	4.7
226.06239	2.4
227.06967	8.1
229.08698	3.3
233.09564	2.0
235.07578	3.3
236.08394	2.4
237.09163	5.6
238.06175	2.8
239.07043	8.0
239.10591	2.3
240.07838	6.7
241.08655	7.4
242.09419	3.7
243.06577	14.1
249.09084	6.0
251.07021	5.6
251.10689	8.3
252.07701	3.5
252.11447	3.5
253.05045	2.8
253.08611	8.9
253.11961	2.2
254.09390	4.8
255.06558	7.7
255.10216	5.1
256.07300	6.1
257.08099	9.1
258.08847	6.0
259.06003	4.6
261.09164	2.0
262.09937	3.5
263.10620	11.5
264.07870	3.7
264.11456	5.8
265.08594	7.4
265.12070	4.0
266.05743	3.0
266.09271	4.1
267.06525	13.7
267.10117	5.6
267.13803	2.8
268.07260	5.0
268.10971	3.4
269.04819	3.5
269.08078	13.5
270.05487	3.0
270.08829	9.4
271.05984	6.2
271.09634	7.9
272.06876	3.5
273.07614	2.9
276.07855	2.1
277.08530	3.7
277.12146	5.2
278.12964	2.7
279.10196	20.0
279.13513	3.5
280.07166	2.0
280.10867	12.3
281.08038	14.8
281.11334	3.9
282.08841	12.1
283.06003	6.4
283.09650	5.1
284.06839	3.4
284.10416	4.9
285.07593	7.4
285.11127	6.2
286.08319	9.1
287.05585	4.0
287.09125	8.3
290.09323	3.7
291.10107	12.3
292.10846	8.4
293.08115	5.4
293.11655	10.8
294.09061	3.6
294.12543	9.5
295.09894	5.0
295.13184	26.1
296.10373	14.8
296.13477	2.7
297.07608	8.2
297.11145	4.5
298.08386	15.4
299.09128	18.5
300.09830	3.3
301.07196	4.6
301.10657	12.0
302.07883	6.9
302.11136	3.2
303.08676	8.0
305.11716	2.6
306.12494	10.6
307.09601	9.9
307.13272	12.6
308.10410	7.6
308.13757	3.8
309.11166	12.9
309.14874	17.6
310.12106	2.4
310.15503	6.5
311.09299	3.1
311.12781	6.1
311.16010	2.2
312.09885	10.0
312.13181	3.7
313.10696	28.3
313.14127	3.1
314.11346	13.7
315.08633	5.0
315.11868	3.3
316.09427	3.7
317.10187	24.7
318.10962	32.3
321.11087	3.9
322.11859	8.5
323.12753	50.1
323.16519	3.1
324.10019	3.0
324.13455	10.7
325.10699	5.4
325.14276	3.4
326.11462	3.2
326.15219	5.7
327.12256	20.4
327.16031	4.7
328.12930	14.2
329.10132	5.1
330.10858	6.3
331.11627	10.1
332.12515	35.3
333.13306	13.8
337.14325	54.4
338.15048	32.8
339.12204	18.5
339.15912	14.2
340.12991	5.0
341.13770	3.5
341.17419	17.2
342.17917	2.5
344.12421	3.1
345.13263	23.8
346.13882	4.8
351.15640	2.4
352.16629	4.2
354.14627	15.2
355.15305	34.5
356.15753	2.5
357.13272	3.8
358.13943	2.9
359.14859	26.8
360.15347	2.4
369.16968	63.8
370.17715	95.7
371.14780	5.7
371.18317	5.7
372.15289	2.8
373.16245	2.8
386.17160	18.3
401.19568	100.0
402.20038	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.196
Annotation	Lintetralin
Peak:m/z	Relative Intensity
57.07062	3.1
64.99640	1.6
67.05510	3.1
69.07059	4.8
69.66952	7.4
81.07057	6.8
81.62023	1.6
91.05495	2.8
95.08637	3.4
96.37252	1.4
98.23272	2.6
102.07662	1.5
109.10153	2.9
119.08611	2.5
121.10164	2.8
129.07021	2.0
142.99142	1.8
149.09596	1.8
157.57921	1.7
159.08101	2.7
165.09111	4.8
167.07106	2.0
173.09615	2.1
181.06433	1.7
181.08702	4.0
183.08124	2.8
189.12866	1.9
191.10710	1.7
197.06032	3.2
198.06790	2.2
199.07529	3.0
201.09088	1.7
203.10521	2.1
209.09850	2.0
210.06689	2.1
211.07565	6.6
213.05531	2.7
213.09116	2.2
214.06186	2.8
215.07169	1.9
219.08118	2.2
219.10071	2.3
221.09633	3.1
222.06668	1.9
223.07446	2.1
223.11241	2.1
224.08333	3.2
225.05515	4.6
225.09111	5.9
226.06140	2.2
227.07082	10.0
228.07790	2.8
229.08658	3.4
233.09552	2.4
235.07568	3.2
235.11241	3.5
236.08281	3.4
237.09132	3.6
238.06308	4.1
239.07043	6.0
239.10777	2.1
240.07848	6.3
241.05028	2.7
241.08632	5.6
242.05823	4.7
242.09416	3.5
243.06525	11.5
249.09117	5.5
251.07037	4.6
251.10690	5.7
252.07841	4.7
252.11546	4.8
253.08635	11.3
254.05646	3.5
254.09343	3.1
255.06520	11.3
255.10245	3.2
256.07336	4.8
257.08054	15.7
258.08881	3.8
259.06039	4.1
261.09201	3.6
262.09946	2.5
263.10675	7.8
264.08197	2.5
264.11554	6.4
265.08679	8.5
265.12061	2.2
266.09415	3.2
267.06677	11.1
267.10199	7.1
267.13617	2.3
268.07315	5.0
268.10803	3.1
269.08136	11.1
269.11554	2.3
270.05930	1.7
270.08890	7.3
271.06052	4.3
271.09766	7.9
272.06888	4.4
273.07578	3.0
274.08331	2.3
277.08795	3.1
277.12308	2.3
278.09445	3.4
278.12958	3.3
279.10217	14.4
279.13437	3.5
280.07993	2.2
280.10980	9.4
281.08191	13.7
281.11758	4.8
282.08875	10.6
283.06082	6.7
283.09558	6.6
283.13156	2.2
284.06921	4.8
284.10492	5.1
285.07614	12.7
285.11301	8.0
286.08542	7.8
287.05908	3.2
287.09180	7.8
288.06277	2.2
288.09589	1.8
290.09406	2.3
291.10211	10.0
291.13229	1.8
292.07654	1.7
292.10840	8.3
293.08173	4.5
293.11713	8.6
294.09158	2.8
294.12543	8.3
295.09720	12.8
295.13370	21.4
296.07394	2.9
296.10471	12.7
296.13577	2.5
297.07672	5.6
297.11273	10.4
298.08456	10.4
298.11356	1.9
299.09186	22.3
299.12701	4.1
300.09824	3.0
301.07248	3.9
301.10773	12.2
302.07922	7.8
302.11063	2.5
303.08582	10.2
305.11752	2.6
306.12399	9.2
307.10257	8.6
307.13309	8.5
308.10437	7.9
308.13861	3.2
309.11200	10.5
309.14905	13.5
310.12112	3.7
310.15665	5.3
311.09357	3.5
311.12927	7.2
312.09924	12.3
312.13440	3.8
313.10660	28.3
313.14120	2.2
314.11380	12.9
315.08704	5.8
315.12091	3.7
316.09451	4.0
317.10217	26.9
318.10968	29.3
321.11325	4.5
322.12042	10.7
323.12762	48.1
323.16522	3.3
324.10010	3.2
324.13562	11.0
325.10776	10.9
325.14224	2.6
326.11328	2.5
326.15140	4.6
327.12317	24.7
327.15833	3.5
328.09146	2.5
328.12860	12.8
328.16269	1.6
329.10159	8.6
329.13815	2.5
330.10742	7.9
331.11740	15.2
332.12521	31.0
333.13229	12.3
337.14334	46.5
338.15057	34.3
339.12262	14.6
339.15991	12.8
340.13016	5.4
341.10269	3.6
341.13852	3.7
341.17615	17.8
342.17853	2.9
343.11670	2.2
344.12607	2.9
345.13312	23.9
346.13919	4.1
352.16937	3.1
353.13977	3.9
354.14587	8.9
355.15381	41.9
355.19580	2.7
356.15790	3.1
357.13181	9.1
358.13718	2.7
359.11017	3.8
359.14899	22.7
360.15262	2.1
369.16983	60.0
370.17725	100.0
371.14053	9.5
371.18912	9.5
372.15457	2.5
373.16150	2.0
383.14999	5.2
386.17426	12.6
401.15570	3.3
401.19678	90.3
402.20145	11.0
405.65872	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1957
Annotation	Lintetralin
Peak:m/z	Relative Intensity
55.01089	1.2
69.07062	1.7
69.11386	8.2
69.11793	2.7
71.76154	1.1
75.04446	1.5
76.00455	1.2
81.42552	1.2
87.04493	1.3
105.07056	1.4
106.36011	1.1
109.72908	1.2
114.76774	1.2
139.07565	2.0
159.04494	1.2
159.08040	3.4
163.03697	1.3
165.07047	1.2
167.06996	1.5
173.09624	1.9
181.06534	1.7
181.08635	2.0
187.07487	2.3
191.10786	1.2
196.91571	1.3
197.05917	3.3
198.06752	2.5
199.07643	2.9
203.07002	1.5
210.06685	1.5
211.07597	3.1
212.08253	1.8
213.05492	2.1
213.09068	1.4
214.06255	2.8
215.07034	2.5
219.08260	1.6
219.10233	4.5
221.09671	2.2
222.06728	2.8
223.07614	2.7
223.11136	2.0
224.08304	1.7
225.05473	2.9
225.09114	3.9
226.06247	2.8
227.07042	5.8
228.07774	2.6
229.05049	1.4
229.08601	4.9
233.09628	2.8
234.12494	2.5
235.07605	1.3
235.11067	3.0
236.08276	1.9
237.05605	1.8
237.09175	2.5
239.07016	5.0
239.10628	1.7
240.07878	5.6
241.04924	2.9
241.08694	7.0
242.05777	3.3
242.09340	2.8
243.06522	8.4
244.07346	1.3
247.07521	2.3
247.11279	1.4
248.08316	2.5
249.09088	3.9
250.09683	1.4
251.07008	2.6
251.10637	5.4
252.07797	3.5
252.11383	2.7
253.04965	2.4
253.08563	9.3
254.05888	2.2
254.09322	2.7
255.06529	9.1
255.10149	2.2
256.07312	3.4
257.08090	8.7
258.08896	3.3
259.05927	4.2
261.09125	3.5
262.09857	4.0
263.10626	8.5
264.07831	2.2
264.11392	5.0
265.08652	6.5
265.12143	4.4
266.06024	1.3
266.09418	3.4
267.06534	11.0
267.10123	5.3
267.13458	2.3
268.07166	4.4
268.10809	2.5
269.08075	8.1
269.11606	2.3
270.05490	2.4
270.08865	9.1
271.05981	4.4
271.09595	5.0
272.06735	4.3
273.07568	2.9
274.08035	2.1
277.08618	3.3
277.12241	4.1
278.09518	2.5
278.12943	3.8
279.07068	1.9
279.10159	14.5
279.13776	4.0
280.07697	2.2
280.10818	10.8
281.08063	11.2
281.11359	2.3
282.08804	10.6
283.06018	6.5
283.09531	3.2
283.13150	1.8
284.06924	2.7
284.10437	4.2
285.07556	8.2
285.11163	6.4
286.08319	6.8
287.05490	3.2
287.09158	6.9
288.06009	1.4
290.09280	1.7
291.10138	10.5
292.10876	7.0
293.08112	4.4
293.11667	8.2
294.08926	2.5
294.12479	7.4
295.09781	4.5
295.13269	21.6
296.10437	13.7
296.13760	2.3
297.07544	4.7
297.11139	5.7
298.08408	10.5
298.11566	1.8
299.09085	13.0
299.12689	3.1
300.09845	2.7
301.07388	2.3
301.10684	9.7
302.07883	5.5
302.11169	2.1
303.08600	6.5
305.11542	4.0
306.09201	1.7
306.12485	11.1
307.09644	7.5
307.13257	7.4
308.10413	8.6
308.14130	4.1
309.07831	2.5
309.11166	10.9
309.14877	14.3
310.12070	1.9
310.15439	6.3
311.09250	2.5
311.12714	5.7
312.09918	8.8
312.13284	2.0
313.10751	25.9
313.14099	1.9
314.11368	11.8
315.08566	6.5
315.12250	4.0
316.09589	3.0
317.10202	21.6
318.10953	27.8
321.11224	3.4
322.11914	8.7
323.12793	43.7
323.16367	2.5
324.09906	2.5
324.13385	8.2
325.10611	4.8
325.14124	2.2
326.14969	4.2
327.12344	19.6
327.15857	2.4
328.12924	13.3
329.10110	4.1
329.13281	2.4
330.10870	5.6
331.11737	15.4
332.12506	30.5
333.13251	11.7
337.14313	51.3
338.15060	35.0
339.12213	16.7
339.15887	13.2
340.13025	6.0
340.16574	2.4
341.13837	2.2
341.17502	21.2
343.11554	2.1
344.12381	4.4
345.13290	24.4
346.13831	4.5
351.15634	1.4
352.16556	2.7
353.13818	2.0
354.14566	11.7
355.15405	31.3
356.15652	3.0
357.13156	1.5
358.13718	2.9
359.14966	24.0
360.15155	2.3
369.17001	68.5
370.17712	89.0
371.14526	3.2
371.18597	9.0
372.15002	4.4
373.15881	2.0
385.14520	3.3
386.17520	14.8
387.16693	2.4
399.16382	2.2
400.16885	1.7
401.13858	18.1
401.19275	100.0
402.13812	7.9
402.19290	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78448	1.2
55.36501	1.3
68.11175	1.5
69.07079	2.4
69.10635	12.9
70.20940	1.3
70.70650	1.5
71.04990	1.5
75.04498	2.2
92.36022	1.3
98.23366	3.0
124.40782	1.4
128.06313	1.4
131.46786	1.4
134.35577	1.4
145.06607	1.6
159.08119	3.1
165.07022	1.8
167.07121	2.1
169.06593	2.3
181.06549	2.8
181.08612	2.5
183.08107	1.8
191.08704	1.9
191.78917	1.5
195.08057	1.9
196.84790	1.4
197.06047	4.6
198.06854	2.4
199.07626	5.1
202.10008	1.8
204.07832	1.8
207.08060	1.9
208.08904	2.2
209.05920	2.4
210.06767	3.7
211.07489	7.2
212.04564	1.9
213.05603	1.6
213.09174	2.5
214.06317	2.6
215.07152	2.3
219.08130	2.8
219.10098	2.7
220.05379	1.4
220.08769	1.7
221.09676	3.3
223.07484	2.0
224.08418	3.9
225.05539	5.1
225.09224	5.4
226.06308	4.2
226.09868	2.5
227.07033	11.9
228.07674	3.5
229.04982	1.8
229.08777	5.8
233.09673	4.5
234.10406	2.2
235.07628	6.0
235.11314	3.8
236.08357	2.6
237.05531	4.0
237.09096	6.7
238.06337	4.2
239.07089	6.4
239.10771	3.1
240.07741	9.3
241.04898	3.5
241.08582	9.5
242.05750	3.8
242.09349	2.1
243.06482	9.3
247.07536	4.0
248.08356	4.1
249.09116	7.6
249.12932	1.8
250.06386	1.7
250.09979	4.6
251.07172	5.6
251.10677	7.4
252.07878	4.2
252.11539	3.9
253.05028	3.9
253.08580	12.8
253.12448	2.0
254.05714	3.8
254.09427	4.9
255.06537	19.0
255.09378	1.8
255.10219	2.0
256.04001	1.8
256.07278	4.0
257.04532	1.9
257.08121	9.5
258.08957	6.1
259.05884	3.0
261.09253	4.2
262.07077	1.6
262.09921	5.9
263.07175	6.0
263.10678	9.0
264.07751	3.5
264.11426	6.7
265.05151	2.0
265.08725	11.0
265.12289	5.9
266.05887	2.3
266.09302	3.2
266.13150	1.5
267.06650	15.1
267.09998	11.7
267.13864	2.6
268.07291	5.1
268.10907	3.3
269.08206	12.4
269.11511	1.8
270.05490	3.4
270.08911	7.5
271.06226	7.8
271.09741	5.4
272.06873	6.5
273.07739	2.8
274.08398	2.1
275.07074	2.3
276.07755	2.2
276.11719	1.5
277.08762	7.6
277.12167	3.3
278.09470	10.5
278.12967	4.6
279.06815	2.8
279.10269	17.2
279.13940	6.3
280.07431	6.2
280.10968	12.6
281.08200	13.8
281.11703	4.4
281.15186	1.7
282.08810	14.6
283.06140	12.7
283.09720	6.1
283.13150	1.9
284.06866	3.4
284.10529	5.5
285.07721	12.9
285.11237	5.7
286.08228	9.6
287.05518	5.2
287.09274	6.2
290.09476	3.4
291.10294	9.1
292.07788	2.1
292.10910	11.1
293.08148	7.5
293.11847	10.2
294.08774	3.5
294.12509	7.5
295.06335	3.1
295.09756	11.5
295.13385	21.5
296.07047	2.6
296.10492	14.3
296.13733	3.1
297.07703	9.3
297.11234	7.7
298.08386	34.5
298.11423	1.7
299.09219	16.8
299.12717	4.0
300.09860	2.7
301.07199	5.0
301.10849	11.1
302.07956	7.7
302.11273	2.9
303.08600	7.7
305.08224	3.4
305.11636	3.6
306.09012	3.9
306.12607	9.6
307.09747	16.0
307.13431	9.2
308.10519	8.7
308.14026	4.4
309.07642	3.7
309.11319	15.0
309.14969	16.3
310.08383	2.4
310.12247	2.3
310.15701	5.3
311.09195	5.8
311.12924	7.6
312.09933	12.3
313.07114	3.8
313.10632	41.2
313.14041	2.5
314.07880	2.9
314.11212	13.8
315.08679	7.3
315.12082	2.8
316.09488	2.7
317.10187	24.1
317.13510	1.9
318.10962	30.1
320.10330	2.6
321.07733	2.6
321.11179	20.7
322.11905	11.8
323.09131	4.0
323.12720	48.3
323.16437	3.3
324.13394	10.1
325.10785	12.0
325.14429	4.8
326.07935	7.4
326.11548	3.4
326.15274	3.9
327.08716	3.1
327.12250	27.1
327.15997	4.1
328.09518	2.9
328.12863	10.9
329.10187	6.3
329.13708	2.0
330.10968	6.8
331.11771	8.7
332.12543	31.1
332.16302	2.5
333.13217	12.3
336.10031	4.9
337.10684	6.5
337.14297	52.0
338.11404	2.8
338.15018	34.0
339.12347	14.7
339.15988	11.8
340.13080	5.0
341.10217	54.6
341.17328	22.0
342.10678	11.5
343.11844	4.3
344.12491	3.8
345.13284	21.8
346.13889	3.3
351.12225	9.3
351.16153	2.4
352.13120	5.6
352.16885	2.0
353.10248	2.8
353.13724	11.5
354.14523	12.7
355.15408	35.7
355.19574	2.6
356.16043	2.6
357.13431	12.0
358.13879	3.0
359.11224	3.8
359.14941	23.1
360.15619	1.9
369.12366	3.2
369.16965	66.2
370.17709	87.9
371.14740	4.2
371.18665	10.1
372.15619	2.3
383.14874	19.9
384.15204	2.6
386.17282	15.5
401.19760	100.0
401.24295	4.8
402.20221	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1959
Annotation	Lintetralin
Peak:m/z	Relative Intensity
52.20061	2.8
57.07065	4.6
67.05522	3.6
69.71673	16.7
75.79488	3.2
79.31776	3.4
80.01382	3.0
81.07034	3.7
91.05465	3.3
105.07068	3.5
107.08618	4.8
119.08574	4.1
121.65121	3.8
167.07007	3.9
177.09126	3.1
201.08997	3.7
211.07635	5.0
213.09029	4.2
217.15746	3.0
225.09201	3.6
226.06247	4.1
227.07001	10.1
237.09047	4.0
239.07095	7.1
241.05000	3.9
241.08578	7.7
243.06487	6.0
249.09007	4.3
251.07054	5.3
251.10759	5.5
253.08386	7.4
255.06564	10.5
256.07129	6.6
257.08167	11.2
258.08826	4.8
259.05862	4.6
263.10672	6.5
264.11526	6.5
265.08563	9.3
265.12460	5.0
267.06528	10.8
267.10132	9.3
267.13724	3.8
268.06912	3.8
269.08109	7.7
270.08896	8.3
271.05972	7.3
271.09601	10.5
272.06949	6.2
272.10263	3.6
277.08652	5.4
279.10141	14.5
279.13342	4.8
280.10843	11.8
281.08057	17.1
281.11310	5.1
282.08859	11.5
283.05978	5.8
283.09424	4.9
285.07486	9.1
285.11111	4.6
286.08270	8.7
287.09229	4.5
291.10202	11.6
292.11008	6.1
293.11539	13.1
294.12549	8.8
295.09592	9.8
295.13214	23.7
296.10419	17.1
296.13412	4.5
297.11145	6.9
298.08380	14.0
299.09195	19.3
299.12381	4.9
301.10669	11.7
302.07715	6.4
303.08545	7.1
306.12421	9.8
307.09839	7.0
307.13232	12.3
308.10397	8.3
309.11124	12.4
309.14865	13.1
310.15765	4.7
311.12766	11.4
312.09882	10.8
313.10522	26.7
314.11313	13.2
315.08661	9.0
316.09344	5.8
317.10242	27.0
318.10925	30.2
321.11508	3.6
322.11856	10.7
323.12729	49.9
324.13284	9.4
325.10641	7.4
326.15070	5.0
327.12381	23.2
327.15933	5.7
328.12921	12.5
330.11047	7.3
331.11487	15.6
332.12579	27.9
333.13162	12.1
337.14359	47.5
338.15106	32.8
339.12170	16.2
339.15512	17.4
340.12891	6.7
341.10254	4.6
341.17438	13.6
345.13364	20.4
353.13580	3.9
354.14581	14.5
355.15417	45.1
356.15564	5.1
357.13419	3.5
358.13708	4.7
359.14935	26.5
369.16943	56.4
370.17712	100.0
371.14648	8.1
371.18710	4.8
386.17172	14.0
401.19724	95.6
402.19894	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85368	1.1
52.92869	1.2
53.29549	1.1
57.07082	1.4
66.95193	1.0
71.31694	1.5
75.76588	1.3
79.05505	1.3
87.35547	1.1
109.10225	1.3
118.67830	1.2
119.08625	1.6
121.06544	1.7
121.10136	1.1
126.36202	1.1
129.00677	1.2
145.06596	1.4
149.23347	1.1
163.07523	1.9
167.07030	11.1
177.09113	1.8
179.10663	1.7
191.10518	1.3
205.12218	1.2
209.52142	1.1
227.07034	2.4
241.08337	2.0
243.06670	1.9
249.08942	1.4
251.10687	1.5
253.08739	2.6
255.06357	1.6
257.08093	3.3
264.11453	1.6
265.12167	1.3
267.06555	2.4
267.10306	1.5
268.10852	1.5
269.07840	1.4
270.08829	1.5
272.06799	1.3
277.08609	1.9
279.07013	1.3
279.10214	3.8
280.10974	1.4
281.08078	3.3
281.11221	1.2
282.08899	2.8
283.05911	2.2
285.07584	2.5
286.08261	2.3
287.09189	1.3
291.10196	3.3
291.26871	2.7
293.11584	1.9
295.10013	1.9
295.13016	5.6
296.10526	3.5
297.07663	2.1
297.11166	1.6
298.08389	3.3
299.09167	4.0
301.07397	1.8
301.10776	3.6
303.08594	2.7
306.12628	2.7
307.09805	1.7
307.13269	2.2
308.10434	1.8
309.11136	2.6
309.14758	3.0
310.15625	1.5
311.12656	1.5
312.09866	1.3
313.10617	6.3
314.11133	2.9
315.08572	1.3
317.10196	5.0
318.10837	5.6
323.12811	11.6
324.13202	3.6
325.10687	2.3
327.12228	4.2
328.13113	3.6
329.10107	1.7
330.10968	2.0
331.11520	1.8
332.12488	7.6
333.13339	2.5
337.14261	10.6
338.15076	7.2
339.12244	3.9
339.15790	3.0
341.17477	3.5
345.13315	5.9
346.13663	1.8
355.15414	6.1
357.12256	1.3
358.12717	2.5
359.14307	4.4
360.14398	1.6
369.17044	12.6
370.17691	23.2
371.13010	7.2
371.17761	2.0
372.13516	4.7
373.14569	3.8
374.16110	1.5
384.14108	3.6
385.14478	17.5
386.15182	16.4
387.15994	6.4
399.16306	6.6
400.16989	9.4
401.13724	18.0
401.17728	100.0
402.18542	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82421	7.4
80.75720	3.0
95.54280	2.5
108.32153	2.7
109.02099	2.6
111.08089	2.8
144.58086	2.6
223.11108	3.0
227.07054	3.8
243.06598	4.7
251.10570	3.8
253.08636	5.4
255.06667	5.0
257.08203	4.6
263.10678	7.1
265.08487	2.9
267.06613	3.4
268.11026	2.9
270.09070	3.6
271.09634	4.0
279.10272	6.8
281.08191	7.0
282.08884	5.9
285.07593	4.5
287.09061	5.6
291.10150	3.8
292.11017	3.9
293.11896	4.7
295.13239	8.5
296.10599	3.4
298.08261	6.4
299.09088	7.4
301.10568	3.2
302.07767	5.5
303.08618	4.0
306.12329	5.4
307.13577	4.2
308.10434	4.8
309.11209	5.5
309.14783	7.9
311.12680	5.2
312.09796	4.1
313.10690	12.2
314.11551	6.5
317.10175	11.9
318.10922	14.5
322.12039	5.5
323.12756	19.9
324.09888	4.3
324.13403	6.4
325.10904	3.0
327.12274	12.3
328.13107	8.0
329.10193	4.4
331.11743	6.4
332.12534	12.7
333.13159	4.9
337.14301	22.0
338.15125	16.8
339.12125	7.2
339.15704	4.6
341.17551	5.0
345.13232	11.8
353.13852	4.2
354.14536	4.7
355.15317	19.4
359.14987	9.2
369.16907	30.8
370.17731	42.1
372.14215	4.3
383.14886	3.7
385.14545	9.8
386.15308	18.3
387.15912	6.6
399.15964	4.7
400.16827	7.9
401.14056	12.4
401.17847	100.0
402.13730	3.9
402.18665	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1958
Annotation	Lintetralin
Peak:m/z	Relative Intensity
50.21803	0.5
50.48276	0.4
51.36256	0.4
54.04899	0.4
58.02110	0.4
60.21428	0.5
60.55587	0.4
68.55186	0.5
69.41044	3.1
75.04459	0.9
131.44627	0.5
152.29272	0.5
159.08014	0.7
165.07013	0.5
173.06047	0.5
173.09715	0.8
176.13161	0.4
183.07938	0.5
189.09004	1.2
190.78590	0.5
193.10114	0.8
198.06593	0.6
201.09181	0.5
202.09874	1.2
205.10060	0.5
209.09520	0.7
211.07480	1.1
213.08955	0.7
216.11473	0.7
219.07951	0.6
221.09619	0.6
223.07503	0.9
223.11082	0.9
225.05519	0.7
225.09169	1.0
226.09872	0.6
227.07083	1.3
228.07593	0.5
232.08810	0.7
233.09599	1.4
234.10478	0.6
235.07489	1.0
235.11200	1.2
236.08351	0.7
236.11888	0.8
237.09077	2.0
237.12682	0.5
238.09949	0.8
239.07071	1.4
240.07765	1.1
241.08574	1.2
242.05699	0.5
243.06529	0.8
247.07458	1.1
247.11224	0.6
248.08281	0.9
248.11893	0.7
248.14151	0.9
249.09026	4.0
249.12672	0.6
250.09737	0.9
251.07036	1.0
251.10620	1.5
251.14381	1.1
252.07825	0.9
252.11412	1.6
253.04811	0.6
253.08653	2.6
253.12131	0.9
254.09290	1.0
255.06471	1.7
255.10184	1.0
256.07300	2.0
257.08020	0.9
261.09103	1.6
262.09692	1.4
263.07510	0.8
263.10660	3.8
264.07928	1.6
264.11444	5.0
265.08621	3.7
265.12177	1.7
266.09219	1.4
267.06540	1.6
267.10144	1.3
267.13852	1.9
268.07401	0.7
268.10962	1.0
269.08063	1.8
269.11572	0.9
270.08911	2.5
271.06085	0.6
271.09586	1.5
277.08609	2.8
277.12241	0.7
278.09433	1.1
278.12793	0.9
279.07040	0.8
279.10193	4.0
279.13791	7.3
280.07724	0.7
280.10922	4.4
280.14001	1.0
281.08069	2.6
281.11642	2.2
282.08844	1.7
283.06100	1.1
283.09711	1.3
283.13211	0.8
284.06647	1.5
284.10150	1.1
285.07785	0.8
285.11237	2.1
286.08316	1.1
287.09027	1.0
290.09232	0.8
291.10083	2.6
292.10849	2.8
293.08139	2.6
293.11707	7.1
294.08856	1.3
294.12378	2.2
295.09686	2.5
295.13284	11.2
296.10403	2.3
296.13446	1.1
297.07797	1.1
297.11179	2.1
298.08298	1.2
298.11789	1.1
299.09152	7.0
300.09695	1.2
301.07336	0.8
301.10733	1.2
305.12000	0.8
306.12482	0.7
307.09644	3.0
307.13290	10.4
308.10434	3.1
308.14035	8.9
309.07867	0.6
309.11172	7.5
309.14752	3.7
310.08527	0.7
310.11899	1.7
310.15634	3.2
311.09427	1.1
311.12790	3.7
312.10208	0.8
312.13550	1.8
313.10770	4.9
314.11386	3.0
315.08633	1.2
316.09372	1.3
317.10214	1.4
318.10828	1.6
321.11182	1.1
322.11945	1.1
323.12744	12.5
324.10016	0.8
324.13541	7.0
325.10617	2.3
325.14096	1.5
326.14963	1.2
327.12189	2.0
327.15906	3.1
328.12885	2.6
330.10855	1.4
331.11694	3.7
332.12503	2.1
337.14371	3.6
338.15051	8.2
338.19077	0.7
339.12219	5.9
339.15939	17.5
340.12885	3.0
340.16437	1.7
341.13757	1.6
341.17490	1.3
343.15527	0.9
345.13208	2.8
354.14575	2.7
355.15381	22.9
356.16040	2.8
357.13235	0.8
358.13962	0.9
359.14752	2.3
369.12289	0.9
369.16968	23.3
370.17728	100.0
371.14740	2.3
371.18506	10.1
371.48071	0.6
372.15475	1.5
386.17245	11.9
387.17471	1.5
401.19577	30.3
402.19968	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.196
Annotation	Lintetralin
Peak:m/z	Relative Intensity
51.68570	1.3
69.07069	2.7
69.88426	2.1
69.88833	3.8
75.90817	1.1
79.05489	2.3
81.07008	1.6
91.05489	1.5
105.07011	1.9
114.38333	1.1
129.07021	1.3
139.07587	1.5
157.16943	1.2
159.08063	1.8
165.07065	1.2
167.07039	1.4
169.06551	1.9
180.09224	1.2
181.06538	1.9
181.08607	2.2
187.07538	2.1
191.10675	2.1
193.06230	1.3
195.08072	1.9
196.05144	1.3
197.06029	2.0
198.06735	2.8
199.07513	1.9
205.16342	1.2
209.09473	1.6
211.07507	6.7
212.08392	2.1
213.05530	1.8
213.09000	2.1
214.06274	1.9
215.06995	1.2
219.08128	1.6
219.10201	2.8
220.05345	1.2
221.09709	1.7
222.06714	2.1
223.07463	1.2
224.04660	1.6
224.08380	1.4
225.05510	2.7
225.09100	4.8
226.06308	2.5
227.03522	1.2
227.07092	5.2
228.07837	3.2
229.08588	3.1
233.09760	2.3
234.10405	1.6
234.12495	1.6
235.07576	2.2
235.11200	2.4
236.08328	1.8
237.05447	1.9
237.09189	4.2
238.06322	3.2
239.07043	3.5
239.10692	2.1
240.07735	5.5
241.04913	2.8
241.08595	8.2
242.05722	3.8
242.09276	2.9
243.06543	10.0
244.07251	1.4
247.07565	1.4
247.11244	2.5
248.08261	1.6
249.09067	3.4
250.09740	1.8
251.07329	2.6
251.10651	6.6
252.04143	1.3
252.07881	1.9
252.11485	4.4
253.08643	8.7
253.11269	1.5
254.05809	2.3
254.09381	4.8
255.06570	8.4
255.10226	3.7
256.07422	6.1
256.10431	1.1
257.04599	1.2
257.08038	8.6
258.08893	3.4
259.06122	3.9
261.09079	2.3
262.09854	2.1
263.06964	1.6
263.10745	7.3
264.11542	5.6
265.08658	8.0
265.12177	4.4
266.09311	3.6
267.06567	13.0
267.10098	5.8
268.07278	3.1
268.10934	4.5
269.08154	8.9
269.11697	1.5
270.05188	1.6
270.08914	7.4
271.06055	4.7
271.09598	7.4
272.06799	2.5
272.10287	1.6
273.07492	2.2
274.08350	2.8
276.11536	1.2
277.08658	5.0
277.12189	3.7
278.09381	2.3
278.13065	2.6
279.10205	15.0
279.13690	4.2
280.07690	2.5
280.10965	11.3
281.08154	11.8
281.11584	3.2
282.08884	12.1
282.12170	2.0
283.06015	5.1
283.09589	2.8
283.13184	1.6
284.07321	1.3
284.10422	6.0
285.07639	8.2
285.11209	6.5
286.08292	7.8
287.05618	3.1
287.09164	4.8
289.10794	1.6
290.09418	1.6
291.10229	10.5
292.10892	9.1
293.08127	5.4
293.11728	9.3
294.12469	7.9
295.09698	6.4
295.13327	22.2
296.10434	12.6
296.13751	4.1
297.07596	6.5
297.11111	2.8
298.08389	7.9
298.11630	2.2
299.09164	15.4
299.12430	2.2
300.06689	1.3
300.09753	2.7
301.07208	3.0
301.10764	12.7
302.07858	8.6
302.11096	2.4
303.08627	6.0
305.11685	3.4
306.12488	9.8
307.09644	10.8
307.13336	7.4
308.10406	9.2
308.13754	2.6
309.11230	9.7
309.14902	12.7
310.15604	3.4
311.09186	3.1
311.12857	6.9
312.10013	8.9
312.13232	2.2
313.10690	27.7
313.14133	2.4
314.11414	11.3
315.08551	4.9
315.12164	2.6
316.09573	3.3
317.10181	20.9
318.10910	29.4
318.33386	1.2
319.11264	1.7
321.11194	4.2
322.12000	8.8
323.12769	44.8
323.16522	2.5
324.09891	2.0
324.13318	11.7
325.10880	6.0
325.14230	2.6
326.11658	2.5
326.15256	3.9
327.12302	20.8
327.15973	5.8
328.13007	14.6
329.10168	4.8
329.13602	1.5
330.11023	5.2
331.11804	9.5
332.12552	32.8
333.13165	15.4
337.14340	49.2
338.15042	29.8
339.12244	13.5
339.15964	11.9
340.13013	8.1
340.16629	2.3
341.10248	1.5
341.13828	2.8
341.17453	15.4
342.17789	1.8
343.11804	2.7
344.12589	3.9
345.13324	20.5
346.13950	5.5
351.16183	2.3
352.16721	1.7
353.13626	2.6
354.14557	11.8
355.15387	32.2
356.15988	2.6
357.13260	3.6
358.14279	3.1
359.14899	22.0
360.15002	2.6
369.16962	59.3
370.17709	81.0
371.14761	4.9
371.18799	9.6
372.15387	3.3
386.17191	15.9
401.19620	100.0
402.20001	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1958
Annotation	Lintetralin
Peak:m/z	Relative Intensity
50.44361	0.9
52.79422	0.7
69.07076	2.0
71.31317	1.1
75.04463	0.8
79.05524	1.4
81.07059	1.6
86.14413	0.8
91.05502	2.3
93.07026	1.2
95.05006	1.2
103.05500	1.7
105.06992	1.8
107.04989	2.8
107.08630	1.2
108.00593	0.8
108.07156	0.8
117.07025	1.4
119.04967	1.1
119.08622	1.5
129.07060	1.7
131.04994	1.9
131.08588	1.7
137.06007	4.7
139.07567	0.9
143.04991	0.9
145.06581	1.8
149.06033	1.4
151.03966	1.4
156.05771	1.2
159.08119	2.9
161.06033	1.9
165.05687	0.8
165.07054	2.1
167.07028	8.1
167.08417	1.0
169.03801	0.8
169.06560	1.1
173.09712	1.6
175.07626	2.7
178.07776	1.0
181.05014	1.1
181.06477	1.3
181.08636	4.8
183.04518	0.9
183.08037	0.9
184.05193	1.1
185.06038	0.9
186.06831	1.0
187.07645	3.7
191.07101	3.7
191.08685	1.6
195.08092	2.8
197.05998	2.3
198.06960	1.7
199.07591	2.2
201.09216	1.3
202.07877	1.4
203.08646	1.4
205.10236	1.2
206.11072	1.0
207.08168	2.1
208.05273	1.2
208.08836	1.0
209.06000	1.7
209.09712	2.2
210.06818	2.1
211.07564	4.4
212.08305	1.6
213.05510	1.6
213.09189	1.2
214.06230	1.6
217.08665	2.4
217.10397	1.7
218.10954	1.2
219.08263	2.2
220.08850	2.7
221.06012	0.9
221.09763	1.3
223.07596	2.1
224.08466	2.1
225.05557	1.7
225.09209	3.9
226.06314	1.6
226.09901	1.1
227.07010	6.1
228.07837	1.8
229.08533	1.4
231.08255	1.5
233.09718	5.4
234.10417	2.3
235.07692	1.9
235.11301	2.4
236.08385	1.3
236.12006	1.5
237.05530	2.0
237.09164	2.6
238.06355	2.0
238.09872	1.3
239.07118	5.4
239.10634	1.4
240.04317	1.5
240.07811	5.1
240.11620	1.3
241.05066	2.4
241.08440	4.6
242.05873	2.2
242.09167	1.1
243.06424	4.4
244.07053	1.1
245.09750	1.9
246.10501	2.4
247.07570	2.5
247.11394	1.7
248.08467	3.5
249.09149	4.7
249.12828	0.9
250.09938	1.2
251.07060	2.3
251.10690	4.8
252.07790	2.2
252.11610	1.5
253.05005	2.1
253.08568	6.6
254.05901	1.8
254.09483	8.1
255.06631	8.4
255.10139	2.8
256.07278	4.3
257.08078	7.9
258.08832	1.9
259.06113	3.3
259.11307	1.9
260.12222	1.0
261.09189	3.7
261.12955	1.8
262.09995	3.4
263.07248	2.5
263.10797	8.7
264.08023	3.1
264.11539	8.3
265.08716	6.5
265.12241	2.8
266.05988	1.4
266.09445	2.3
267.06445	4.7
267.10254	2.4
267.13861	1.9
268.03888	1.2
268.07428	3.1
268.11066	8.2
269.05237	1.5
269.08237	8.4
269.11713	2.0
270.08783	10.9
271.06296	4.7
271.09372	6.0
272.06882	1.9
273.07825	3.8
274.08496	2.1
275.14459	3.9
276.11447	1.1
277.08762	5.9
277.12317	3.3
278.09506	3.1
278.13162	2.3
279.10284	9.0
279.13873	5.5
280.07733	1.8
280.11035	8.0
281.08200	6.9
281.11673	2.7
282.05399	1.5
282.08960	4.7
283.06119	3.8
283.09760	3.4
283.13217	1.0
284.06757	3.0
284.10547	3.7
285.07736	4.5
285.11487	6.2
286.08307	8.8
287.05643	2.3
287.09305	4.9
288.06238	1.1
289.10806	2.6
291.10150	8.1
292.07669	1.6
292.11035	7.6
293.08286	4.9
293.11865	7.3
294.08978	3.0
294.12689	3.4
295.09805	7.1
295.13449	13.5
296.10544	7.0
296.13528	1.4
297.07800	4.3
297.11438	3.4
298.08377	5.9
298.11722	1.4
299.09277	10.7
299.12906	3.4
300.06778	1.0
300.09857	3.9
301.07297	3.2
301.10870	11.1
302.07950	5.0
302.11044	1.5
303.08752	2.1
303.13828	4.2
305.11890	2.5
306.09070	1.4
306.12363	5.5
307.09766	6.5
307.13394	7.7
308.10504	7.0
308.14188	6.4
309.07840	2.0
309.11353	10.5
309.14978	4.4
310.08463	1.7
310.11969	2.2
310.15720	3.2
311.09250	2.9
311.12909	5.6
312.10098	3.5
312.13602	1.5
313.07135	1.8
313.10696	19.3
314.11453	10.3
315.08752	7.1
315.12363	4.6
316.09509	3.2
317.10193	14.9
317.13458	1.0
318.10983	7.5
321.11304	2.0
322.12244	2.4
323.12762	30.8
324.09991	2.1
324.13663	11.7
325.10889	5.0
325.14413	1.6
326.11502	2.5
326.15103	1.6
327.12393	13.0
327.16034	4.2
328.13025	14.0
329.10352	3.2
329.13815	1.5
330.11035	8.6
331.11746	16.7
332.12531	26.2
333.13049	5.3
337.14319	14.1
338.15137	24.9
338.19086	1.8
339.12354	10.7
339.16071	13.8
340.13281	4.1
340.16824	1.6
341.13873	3.4
341.17703	3.9
343.11917	3.2
344.12451	4.8
345.13318	18.4
346.14029	2.9
351.12634	1.7
352.16782	2.7
354.14664	6.1
355.15405	24.8
355.19522	1.4
356.16013	2.1
357.13580	1.3
358.14047	1.8
359.14905	18.8
359.18979	1.3
360.15305	2.0
369.16968	52.4
370.17731	80.8
371.14063	6.1
371.18896	8.0
372.15680	3.1
373.16827	1.5
383.15085	4.5
386.17307	17.2
387.17798	2.0
401.19714	100.0
402.20120	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
53.03946	2.2
55.01847	0.3
55.05498	0.3
55.81138	0.1
65.03930	0.7
66.04721	1.7
67.05494	0.2
68.99776	0.4
69.03417	0.6
70.50403	0.4
75.53780	0.1
77.03934	0.9
77.85842	0.1
79.01855	0.3
79.05492	6.3
80.02603	0.2
80.05846	0.2
81.03401	0.5
81.07055	1.6
83.04985	0.3
85.02898	0.3
91.05474	0.6
92.02625	0.4
93.21806	0.1
94.04188	3.6
95.04975	2.0
95.08628	0.2
96.05747	0.1
98.03658	0.4
99.49120	0.1
105.03395	0.5
105.04489	0.9
105.07043	0.2
107.01285	0.2
107.04939	0.6
108.05778	0.2
109.02892	0.9
109.06511	3.2
111.00813	0.3
111.08099	0.3
119.08600	0.3
121.02874	0.8
121.10122	0.2
122.03642	4.7
124.05215	0.7
126.03152	1.2
135.04431	0.2
137.02324	0.3
137.06000	0.9
139.07539	0.8
141.05458	0.3
143.08531	0.2
151.03873	0.2
151.07521	0.2
152.04692	1.3
154.02618	0.3
155.07030	4.3
159.08060	0.5
165.05467	100.0
166.05794	3.7
167.07079	0.4
174.10365	1.2
175.07503	0.2
176.08354	0.3
181.08604	0.4
189.09145	0.3
195.06526	15.8
196.06824	0.7
204.11580	0.2
205.12239	4.4
206.12614	0.3
218.09367	0.4
219.10088	0.7
233.11707	3.0
263.12869	0.3
264.48453	0.2
315.08459	0.2
323.12881	0.2
337.14233	0.2
346.67032	0.2
369.17203	0.2
383.18433	0.3
401.19528	0.7
402.20200	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.05505	1.3
67.05502	1.5
69.07071	1.2
70.08477	1.4
79.05478	4.6
81.07043	4.8
83.04955	1.0
91.05491	4.1
93.07040	1.9
95.04983	2.0
95.08633	1.6
103.05461	0.8
105.07032	2.6
107.04948	1.7
107.08602	1.7
109.02864	2.0
109.06510	3.2
109.10130	0.9
111.08105	1.7
119.04959	1.4
119.08620	0.9
121.02811	0.6
121.06512	9.4
123.04421	3.3
123.08071	0.9
123.11714	1.0
124.05202	4.5
125.05983	1.2
132.05714	0.7
133.02800	0.7
135.04390	1.5
135.08046	1.5
135.11676	0.8
137.05963	2.5
138.06700	1.7
139.07536	17.3
143.08522	1.4
145.10124	1.9
147.11714	0.8
148.05183	1.5
149.05971	7.7
150.06679	2.2
151.03873	2.3
151.07538	1.6
152.04697	8.0
153.05482	1.4
153.09113	2.4
155.06993	1.3
157.10100	0.8
158.07272	2.2
158.33917	0.9
159.08060	1.3
163.07526	3.9
165.05447	1.9
165.09100	1.4
166.06247	17.8
167.07037	80.2
168.07382	3.4
171.08012	1.7
172.08789	1.8
173.09630	18.3
174.06747	1.1
174.10007	1.5
175.07524	2.0
179.08643	0.9
180.07872	0.8
181.08594	100.0
182.08949	5.0
185.09642	0.9
186.06697	0.8
186.10435	1.1
187.07507	2.1
187.11133	2.8
188.08223	1.1
189.09068	4.5
191.07007	0.7
195.10146	13.9
201.09097	22.1
202.09840	6.5
203.07170	1.0
203.10583	1.7
204.07901	1.2
204.11424	0.8
205.08592	0.7
209.11603	0.7
215.10915	0.8
216.11455	57.7
217.08598	10.2
217.11914	6.7
218.09297	1.5
219.10138	8.9
220.10620	0.7
232.10919	15.0
233.11664	7.7
235.13260	1.8
247.13292	74.3
248.13795	7.6
263.10739	0.8
264.11511	0.8
295.09619	0.8
312.10059	0.8
327.12207	1.3
343.11966	1.1
352.78284	0.8
357.13272	0.8
369.17157	1.0
370.17661	1.3
401.11765	1.0
401.19720	6.1
411.92651	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1959
Annotation	Lintetralin
Peak:m/z	Relative Intensity
51.56457	1.0
67.05521	1.3
69.07089	2.3
75.04504	2.3
77.17406	1.1
78.36060	0.9
79.05494	2.2
81.07045	1.5
91.05489	1.7
93.07045	1.4
105.07045	2.3
119.08662	1.8
120.83515	1.0
131.08556	1.4
139.07536	2.4
141.06972	1.3
143.08664	1.4
145.06503	1.0
155.08632	1.6
159.08093	3.2
161.06042	1.3
165.05473	5.5
167.07118	3.7
167.08640	1.0
169.06499	1.6
173.09671	2.1
175.07622	2.1
181.06612	1.2
181.08685	2.9
181.79947	1.0
182.07312	1.6
182.09477	1.5
183.08000	1.6
185.06023	1.2
187.07585	2.6
188.08441	1.4
191.08583	1.3
191.10695	2.5
193.10226	1.4
195.06551	1.9
195.08209	2.8
195.10208	1.4
196.05437	1.1
197.06023	3.4
197.09657	1.5
198.06760	2.4
199.07600	4.1
201.09200	3.2
202.09993	1.5
203.07030	1.2
203.08748	1.1
203.10646	2.0
205.06667	1.1
205.10316	1.4
205.12222	1.5
207.08060	1.8
208.08946	1.1
209.13541	1.3
210.06874	3.5
211.07593	5.3
213.05518	3.1
213.09085	2.7
214.06308	1.9
215.07091	1.9
218.09442	3.1
219.08167	2.2
219.10239	3.5
220.08829	1.2
221.06122	1.6
221.09546	2.8
222.06847	1.4
223.07567	2.6
223.11230	1.5
224.04761	1.1
224.08417	2.6
225.05617	3.9
225.09207	3.9
226.06322	3.4
226.09866	2.3
227.06989	6.9
228.07823	3.3
229.08496	5.6
232.08937	2.0
233.09628	2.5
233.11809	4.7
234.10339	1.7
235.07687	1.9
235.11349	3.9
236.08405	3.5
237.05490	2.9
237.09047	5.6
238.06306	2.8
238.09952	1.3
239.07025	7.7
239.10667	2.4
240.04172	2.3
240.07788	6.8
241.04984	2.3
241.08557	8.2
242.05821	4.7
242.09554	3.8
243.06503	10.7
244.07007	1.9
247.07674	1.8
247.11250	2.1
248.08492	2.9
249.09248	4.8
250.06316	1.2
250.09941	2.3
251.07103	3.5
251.10643	7.5
252.07896	3.3
252.11403	5.2
253.05231	1.8
253.08698	10.6
253.12370	1.7
254.05814	2.3
254.09283	5.2
255.06570	8.2
255.10278	3.6
256.07425	6.1
256.10999	1.2
257.04813	1.1
257.05255	1.4
257.08057	10.3
258.08862	4.9
259.06100	4.3
261.09152	3.3
262.09976	2.5
263.07208	1.1
263.08127	1.4
263.10690	9.4
264.07947	2.1
264.11508	6.0
265.08636	8.3
265.12054	4.9
266.05829	1.6
266.09387	3.5
266.13043	1.3
267.06647	13.4
267.10260	7.1
267.13794	2.5
268.07379	5.4
268.10992	3.4
269.08246	11.3
269.11755	3.2
270.05414	3.8
270.08960	7.1
271.06235	5.1
271.09427	6.1
272.06842	4.0
272.10333	1.6
273.07678	1.8
274.08435	3.4
275.10703	2.0
275.14218	1.2
276.07971	1.3
276.11450	2.1
277.08777	6.4
277.12305	3.5
278.09427	3.8
278.13107	4.3
279.07047	1.5
279.10315	14.1
279.13821	6.2
280.07727	2.1
280.11060	12.6
280.14044	1.4
281.08203	15.2
281.11642	3.9
282.08850	15.5
283.06134	5.1
283.09741	5.9
283.12833	1.4
284.06891	4.0
284.10587	5.3
285.07700	10.1
285.11374	6.8
286.05173	1.9
286.08282	9.6
287.05927	2.1
287.09250	7.8
289.10880	3.5
291.10123	10.0
292.07632	2.3
292.11008	7.7
292.13867	1.2
293.08136	5.3
293.11801	10.0
294.09146	2.7
294.12631	9.5
295.09793	9.7
295.13422	24.0
296.07132	2.0
296.10486	13.3
296.13593	1.9
297.07776	7.6
297.11279	5.0
298.08340	10.6
298.11588	1.6
299.09262	15.1
299.12854	3.1
300.06534	1.9
300.09903	4.1
301.07211	3.9
301.10837	11.8
302.07947	6.8
302.11484	3.0
303.08444	7.8
305.08722	1.5
305.11935	4.2
306.09180	1.7
306.12418	12.3
307.09799	9.4
307.13391	9.3
308.10519	9.6
308.14120	3.5
309.07806	1.4
309.11304	12.8
309.14993	20.2
310.08261	1.4
310.11871	3.1
310.15714	7.6
311.09262	6.6
311.12939	7.3
311.16226	1.8
312.09918	12.3
312.13287	1.7
313.07092	2.4
313.10663	30.6
314.11362	11.9
315.08725	6.5
315.12393	3.8
316.09528	3.7
317.10178	26.4
318.10947	32.5
318.14496	1.9
321.11249	3.7
322.11981	11.1
323.12762	54.2
324.09973	2.2
324.13525	11.7
325.10864	8.5
325.14157	2.1
326.11414	2.9
326.15308	4.5
327.12393	22.8
327.15952	6.1
328.09433	1.7
328.12936	16.8
328.16467	1.7
329.10062	5.4
329.13666	1.8
330.10938	7.2
331.11761	13.0
332.12515	38.9
333.13187	13.1
337.14313	57.2
338.15018	39.0
339.12350	18.1
339.16022	13.5
340.13037	6.6
340.16635	1.6
341.10379	4.1
341.13864	2.4
341.17416	16.4
342.10931	1.5
342.17963	1.9
343.12012	3.3
344.12622	4.6
345.13293	24.5
346.14044	3.2
351.15967	1.5
352.16772	2.6
353.13898	2.1
354.14453	11.3
355.15350	35.0
356.15967	4.0
357.13470	4.2
358.14151	3.2
359.14911	24.5
359.19009	1.9
360.15286	1.3
369.16962	66.1
370.17700	88.2
371.10864	2.3
371.14902	6.1
371.18979	7.9
372.15753	3.2
373.16693	2.2
386.17279	16.1
387.17749	2.9
401.19757	100.0
402.20157	11.8
402.25000	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62881	1.6
69.07078	2.6
69.40920	4.3
69.41328	4.5
75.05772	1.4
79.05479	2.0
98.23348	3.1
105.07047	3.6
116.79058	1.5
118.04197	1.7
133.06467	2.0
139.07506	2.2
145.10106	1.6
159.08076	4.2
165.05534	8.4
165.06787	2.0
173.09645	2.4
181.06534	2.9
181.08609	3.8
182.56648	1.7
183.08105	1.5
191.10721	3.2
193.08612	6.5
195.06573	3.8
197.05986	3.0
198.06686	1.8
199.07634	2.9
209.09587	2.2
210.06775	2.1
211.07582	5.6
212.08275	1.8
213.09108	2.6
214.06259	2.7
219.08089	2.3
223.07625	2.5
223.11276	2.5
224.08211	2.8
225.05455	1.9
225.09103	5.5
226.06268	3.4
226.09830	2.4
227.07022	5.4
228.07813	3.9
229.05019	2.0
229.08644	5.6
233.09689	1.9
234.10406	1.9
235.07487	2.4
235.11217	4.2
236.08182	2.8
236.11972	1.7
237.09085	5.0
238.06343	4.2
239.07021	5.2
239.10643	3.3
240.07901	4.2
241.04927	1.7
241.08638	6.0
242.05750	4.0
242.09412	2.6
243.06499	9.5
247.07515	3.1
248.08371	2.5
249.09111	5.4
250.09918	1.8
251.07124	3.2
251.10693	6.6
252.07796	3.3
252.11452	4.6
253.08540	8.6
253.12540	1.9
254.05746	2.7
254.09271	2.8
255.06465	9.9
255.10127	3.9
256.07349	4.8
257.08130	10.2
258.08820	4.0
259.06000	4.0
261.08978	3.3
262.09732	2.6
263.06958	2.4
263.10706	10.2
264.07870	3.1
264.11404	6.5
265.08612	9.3
265.12033	2.1
266.05869	1.7
266.09332	4.0
266.13214	1.5
267.06537	12.4
267.10095	6.5
267.13989	1.6
268.07260	3.6
268.10986	4.4
269.08075	9.3
269.11646	3.6
270.05289	2.6
270.08887	8.1
271.06067	5.3
271.09705	6.9
272.06851	4.3
272.10199	2.6
273.07535	3.0
274.08414	3.5
276.07709	2.2
277.08594	6.7
277.12210	4.1
278.09637	2.9
278.12918	5.5
279.10226	15.6
279.13766	5.2
280.07669	2.4
280.10913	10.1
280.13727	1.7
281.08145	14.2
281.11295	3.1
282.08789	12.8
283.06033	4.6
283.09610	6.5
283.13190	3.4
284.06827	3.4
284.10492	5.5
285.07593	10.3
285.11264	8.0
286.08362	6.9
287.05627	3.6
287.09042	6.4
291.07086	2.7
291.10107	14.4
292.10931	9.2
293.08060	4.5
293.11725	8.6
294.09134	2.8
294.12549	7.3
295.09668	5.9
295.13297	26.8
296.10449	12.9
296.13626	2.5
297.07617	5.2
297.11191	6.1
298.08453	10.3
299.09213	19.8
299.12534	2.7
300.06345	1.8
300.09753	3.3
301.07349	2.3
301.10587	14.1
302.07932	6.8
302.11102	2.2
303.08731	8.1
305.11691	3.4
306.12360	10.9
307.09708	9.2
307.13257	5.7
308.10425	9.2
308.14063	4.4
309.07733	2.5
309.11197	9.3
309.14865	14.3
310.11972	2.0
310.15640	5.0
311.09366	3.3
311.12857	6.3
312.09973	10.5
312.13184	2.5
313.10666	26.0
314.11316	10.4
315.08633	8.3
315.12323	4.0
317.10196	24.3
318.10953	28.4
320.14011	1.9
321.11172	3.7
322.11902	9.4
323.12766	48.7
323.16562	3.4
324.09946	3.3
324.13492	10.0
325.10757	6.0
326.15265	3.7
327.12262	25.3
327.15906	3.8
328.12918	12.8
329.10278	5.0
330.10980	8.6
331.11755	11.0
332.12488	34.3
333.13309	12.2
337.14294	54.9
337.18375	3.3
338.15027	38.1
339.12268	15.4
339.15918	11.2
340.12924	6.6
340.16519	2.1
341.10284	2.3
341.13760	3.2
341.17484	18.4
343.11731	3.1
344.12592	3.7
345.13254	24.8
346.13943	3.9
352.16599	2.6
353.13773	8.3
354.14627	11.2
355.15402	32.0
356.15756	3.1
357.13269	2.6
359.14883	26.0
360.15219	2.0
369.12250	3.0
369.16962	69.4
370.17706	83.3
371.14276	2.6
371.18613	8.8
383.14844	6.3
386.17224	14.3
387.17770	2.9
401.19623	100.0
401.24451	5.0
402.20053	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.2
58.09374	1.0
59.04992	1.0
65.03941	1.3
66.04727	2.0
67.05511	1.5
69.07066	2.6
71.95459	0.8
73.06550	5.5
75.04481	2.1
77.03931	1.2
79.05492	8.1
81.03425	3.1
81.07056	3.0
83.04948	1.1
87.42941	1.0
91.05473	1.3
93.07037	1.3
94.04192	3.3
95.04966	3.5
95.08619	1.4
96.05769	1.5
99.08089	12.3
100.84380	0.7
105.04549	1.4
108.93906	0.8
109.02879	1.1
109.06528	4.1
110.86597	0.8
111.08081	1.3
116.99184	0.9
121.02894	1.4
122.03655	5.3
124.05206	3.3
125.05975	1.0
126.03108	2.0
134.73003	0.8
137.02344	0.8
137.06015	1.2
139.07533	6.2
145.10036	1.2
151.03888	2.6
152.04678	5.5
155.07039	4.4
155.08571	0.9
156.04202	1.3
165.05478	100.0
166.05852	4.2
167.07053	1.6
168.05692	0.9
173.09593	1.2
175.07452	1.0
179.08577	1.1
181.08667	1.4
182.07356	1.0
183.08067	1.5
184.18190	0.9
185.09615	0.9
187.07558	1.1
193.06522	1.0
195.06526	73.9
196.06857	2.9
196.08580	1.9
197.05971	1.1
197.09621	1.8
198.06767	1.7
199.07593	1.4
201.37904	0.9
205.10414	1.4
205.12154	5.1
209.09650	1.2
211.07651	4.5
212.08310	3.6
213.05583	1.2
213.09106	4.6
221.09752	0.9
223.07596	2.0
224.08359	2.6
225.09106	5.3
226.09842	3.0
227.07034	3.6
227.10654	3.3
228.07730	1.8
229.10316	0.9
233.09731	1.2
233.11536	4.2
233.70476	0.9
236.08084	1.0
237.08978	1.3
238.09758	1.6
239.06906	3.9
239.10509	2.1
240.07755	5.6
240.11372	1.4
241.08572	15.0
242.09103	4.5
243.06593	1.6
243.10098	3.5
249.09053	1.5
250.34229	0.8
251.07043	1.6
251.10530	1.6
252.07681	1.6
252.11290	1.2
253.08659	7.7
253.12416	1.0
254.06076	0.9
254.09274	5.8
255.06435	1.4
255.07510	1.2
255.10179	12.3
256.07434	2.5
256.10742	4.4
257.11569	2.2
258.08936	2.8
261.12820	0.9
262.09546	0.9
263.07013	0.9
264.11243	1.4
265.08551	2.3
266.09244	2.0
267.06702	0.8
267.10162	6.0
267.12881	1.0
268.07343	2.4
268.10928	11.0
269.08063	9.6
269.11569	4.9
270.08743	3.0
270.12546	3.8
271.06000	2.0
271.09625	9.3
272.10233	1.3
273.10959	1.2
275.14279	2.7
277.08557	1.1
278.09128	1.3
279.06485	1.0
279.10043	2.3
280.10617	1.9
281.08029	1.1
281.11649	3.3
282.08868	3.3
283.06439	1.5
283.09634	28.9
283.12851	1.5
284.06897	2.3
284.10339	14.4
285.08057	1.4
285.10919	6.0
286.08322	3.0
286.12018	5.8
287.12717	1.7
293.07880	0.9
293.11401	1.0
294.09015	1.0
294.12231	1.2
295.09616	1.6
295.13098	3.0
296.10181	3.1
296.14023	3.0
297.11188	9.6
298.08716	1.0
298.11963	27.3
299.09143	21.9
299.12717	8.1
300.09598	2.5
300.12946	1.2
301.10696	8.2
302.11282	4.6
303.13806	3.5
306.12408	1.0
307.09726	1.6
308.10117	2.3
309.11108	1.5
311.12558	2.3
312.10022	1.6
312.13443	8.0
313.10574	2.2
313.14142	1.6
314.11465	31.4
315.08685	1.8
315.12122	9.8
316.13046	11.1
317.13718	1.6
322.11713	2.4
323.12534	5.5
324.13113	1.8
325.10730	1.8
326.14838	2.5
327.12112	2.1
327.15909	4.3
328.12650	1.4
329.13824	64.4
330.14066	4.4
331.11856	1.8
337.14243	6.6
338.11176	1.3
338.14932	3.8
339.12054	2.1
339.15710	1.8
340.12628	4.5
341.13837	1.1
341.17780	0.9
345.13013	1.2
353.13672	1.1
354.14261	3.5
355.15094	4.7
359.14255	1.0
369.16949	5.9
370.17703	17.6
373.16721	1.3
386.16858	9.5
401.19757	42.6
401.24631	2.6
402.19748	3.1
424.19534	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74140	1.6
52.73404	1.6
53.03952	1.9
55.01864	3.5
55.05512	18.3
57.03426	1.4
67.05495	17.6
69.03423	3.9
69.07062	4.6
70.06579	1.6
71.31592	2.1
79.05492	5.9
81.07050	7.5
83.04980	56.7
83.08617	2.6
85.06537	2.3
88.65125	1.6
91.05476	11.4
93.07040	18.5
94.04164	1.5
95.04997	7.6
95.08606	32.3
97.06498	2.8
97.99014	1.6
98.54392	1.5
99.04440	2.0
103.05392	1.9
105.07027	13.4
107.08609	10.7
109.06542	3.7
109.10123	7.6
111.04442	29.5
111.08068	9.2
113.06017	4.1
115.05498	1.6
117.07018	3.3
119.08588	14.4
121.06527	3.1
121.10146	6.4
121.71495	1.5
122.56146	1.5
123.08085	7.2
128.06219	6.7
129.07018	10.6
130.07751	1.5
131.08568	7.2
133.10115	9.0
135.08083	2.2
137.05992	2.5
139.07555	4.9
141.06993	2.3
141.09116	5.4
142.07834	7.3
143.08563	6.2
145.10123	7.7
147.08081	3.6
147.11694	6.7
150.11230	1.5
152.04691	1.6
153.06973	3.5
155.08533	15.2
157.06488	75.6
157.10088	15.1
158.06836	2.9
159.08000	2.8
159.11650	7.2
161.09639	5.6
161.13246	2.2
165.05472	23.1
165.06978	9.7
166.07744	4.7
167.08583	4.8
169.06508	2.7
169.10127	4.5
171.08081	5.7
171.11699	2.5
172.08873	1.7
173.09648	2.8
175.11203	9.1
178.07823	3.5
179.08565	10.3
180.09203	2.7
181.06477	5.8
181.10101	6.6
183.08086	5.4
185.13248	2.0
187.11143	5.8
190.07690	2.6
191.08565	5.3
191.10663	4.2
192.09277	4.4
193.10159	7.8
194.07249	8.6
194.10809	3.6
195.06483	10.5
195.08063	23.1
195.11696	5.0
196.06938	1.6
196.08701	2.9
196.12439	1.5
197.09607	11.3
197.13251	5.2
197.82840	1.5
202.07793	4.4
203.08574	7.2
204.09355	3.8
205.06390	1.9
205.10133	5.6
205.12238	7.2
206.10974	3.9
207.08093	15.3
207.11714	10.4
208.08771	8.0
208.12256	1.7
209.09621	33.8
209.13263	5.1
210.10049	2.9
211.11198	7.8
215.08583	5.4
216.09323	4.6
217.10193	8.6
218.07260	3.4
218.10849	6.7
219.08104	8.7
219.11732	8.7
220.08829	4.2
221.09612	22.0
221.13223	3.9
222.10222	4.8
223.11119	13.5
225.09053	2.3
225.12764	2.3
228.09366	3.3
229.10251	7.6
230.10803	4.0
231.08095	20.9
231.11583	7.8
232.08818	18.8
232.12379	3.8
233.09654	13.8
233.13263	8.6
234.10345	3.4
235.11182	30.9
235.14737	2.0
237.08830	2.6
243.11743	11.1
244.08780	10.2
244.12364	3.1
245.09610	32.1
245.13268	9.2
246.10391	40.0
246.13914	4.3
247.11160	33.0
247.14838	5.5
248.11906	5.7
249.08980	2.5
249.12711	6.4
251.06824	1.5
253.08414	1.9
255.11650	2.7
257.09573	4.9
257.13132	3.2
257.15515	2.8
258.10443	25.5
258.13828	3.0
259.11154	33.6
259.14807	7.3
260.11948	22.2
260.15179	3.1
261.12750	65.5
261.16296	8.9
262.13361	14.6
263.11404	2.1
263.14282	17.7
267.06406	2.8
267.09381	2.0
269.13275	3.6
270.10681	2.3
271.11209	9.5
271.15048	1.6
272.11938	26.9
273.12729	34.3
273.16241	5.2
274.13379	12.9
275.14252	12.0
275.17645	3.0
276.14926	2.9
279.10294	2.3
281.07916	3.1
282.08722	2.5
283.11093	2.9
284.11893	2.7
285.07489	2.9
285.12726	8.3
285.16064	2.0
286.07520	1.8
286.13440	8.3
287.14310	64.8
287.17856	7.0
288.14893	8.7
288.18216	2.2
289.15906	21.8
289.19131	3.6
290.16266	4.0
291.09912	1.8
291.17358	11.3
292.10614	2.0
293.11630	3.3
295.09488	1.9
295.13275	3.9
297.12827	4.4
298.13458	3.1
299.08902	2.4
299.14401	9.9
300.09561	2.3
300.15097	2.8
301.10272	3.9
301.15875	25.8
301.19315	3.1
302.16660	71.4
302.20126	6.8
303.17300	15.1
307.09491	1.6
307.13245	2.5
309.11084	1.8
311.14044	4.3
312.09421	2.0
312.14890	5.0
313.10629	7.2
313.15762	5.4
314.11313	2.9
315.08331	3.0
317.10150	4.5
318.11014	4.0
323.12796	6.6
325.15799	3.1
326.10846	4.2
326.16467	3.2
327.11197	7.9
327.17352	12.6
328.08395	3.3
328.12503	2.0
328.17874	2.6
329.09070	2.2
331.11658	2.9
332.12476	5.7
333.13101	2.3
337.14313	8.4
338.15121	5.2
339.12155	2.1
340.18338	2.2
341.18222	2.1
344.11899	1.9
345.13675	6.3
350.16498	1.7
353.12848	2.9
354.15274	1.7
355.15643	4.7
355.20520	12.5
356.20795	1.8
357.12378	14.5
359.10242	3.9
359.14639	6.0
365.18927	3.5
369.16919	10.9
370.17688	15.5
371.13837	3.6
371.18173	1.8
383.19925	20.0
384.20505	3.1
386.18149	4.1
401.14539	6.6
401.20834	100.0
401.24948	38.1
401.38171	2.9
402.20819	11.3
402.25317	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01866	0.3
55.05501	1.3
56.50425	0.3
59.45678	0.3
61.32132	0.3
67.05507	3.1
69.03462	0.4
69.07061	1.0
69.14548	1.2
69.14967	1.7
79.05489	1.6
81.07061	3.2
83.04974	2.0
91.05485	2.2
93.07046	2.8
95.04949	0.7
95.08605	5.5
105.07039	2.8
107.08592	2.4
109.06506	1.0
109.10152	1.1
111.04466	0.8
111.08080	1.0
113.06036	0.4
115.05463	0.6
117.07025	0.4
119.08567	2.9
121.06486	0.4
121.10162	1.2
123.08091	1.0
128.06239	0.6
129.07016	1.1
131.08594	0.9
133.10135	1.0
133.50906	0.3
135.11737	0.5
141.07039	0.5
141.08788	0.4
143.08578	0.9
145.10124	0.9
146.07388	0.3
147.08080	0.7
153.06973	3.0
154.07715	0.8
155.08548	30.3
156.08937	1.0
157.10117	0.8
160.54454	0.3
161.09633	0.5
161.13258	0.3
165.07027	1.9
166.07796	0.7
167.08554	0.7
169.10115	1.9
172.55653	0.3
178.07736	2.6
179.08545	4.6
180.09302	2.1
181.10101	2.4
183.11658	0.5
189.07027	0.4
189.12778	0.4
190.07660	0.6
191.08493	2.4
192.09320	9.4
193.10118	8.9
194.10861	1.6
195.11676	4.8
202.07690	0.5
203.08498	2.8
204.09320	3.9
205.10121	11.3
206.10890	4.9
207.11674	17.5
208.12141	1.9
209.13249	1.0
215.08536	0.6
216.09315	1.5
217.10121	4.8
218.10863	4.9
219.11682	11.0
220.12360	2.0
221.13257	5.5
222.13992	0.7
229.10063	1.1
230.10907	1.8
231.11671	7.1
232.12489	5.3
233.13252	8.3
234.13980	1.2
235.14857	1.1
243.11693	0.6
244.12479	1.1
245.13231	5.8
246.14006	5.1
247.14799	7.7
248.15257	0.9
257.13071	0.5
258.13892	0.8
259.14813	2.5
260.15567	3.6
261.16373	9.2
262.17169	2.3
263.17786	0.7
271.14740	0.7
272.15604	0.5
273.16440	1.0
274.17114	0.5
275.17899	0.6
286.16833	0.4
287.14957	0.4
287.18002	1.5
299.17850	0.6
301.19455	0.4
302.20090	1.6
315.08691	0.5
327.12219	0.9
359.14679	0.4
401.24744	100.0
402.25058	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
54.01543	0.2
55.05502	1.1
57.03421	0.3
67.05508	2.7
69.03423	0.2
69.07053	0.8
79.05492	1.2
81.07056	3.0
83.04980	1.7
84.78908	0.2
88.60846	0.2
91.05487	2.2
93.07041	3.5
95.04950	0.6
95.08604	5.6
97.02882	0.2
97.06528	0.2
98.23447	0.4
99.04517	0.3
100.09995	0.2
100.43400	0.2
104.30913	0.2
105.07028	2.9
107.08588	1.8
109.06524	0.3
109.10158	1.0
111.04418	0.9
111.08082	1.1
112.36322	0.2
113.06017	0.2
115.05440	0.8
117.07004	0.7
119.08575	2.2
121.06474	0.2
121.10133	0.8
123.07290	0.2
123.08086	0.9
123.11709	0.3
128.06204	0.4
129.06975	1.5
129.94450	0.3
131.08524	0.6
133.02373	0.2
133.10123	0.8
135.11687	0.2
141.06970	0.6
141.09087	0.2
142.07761	0.4
143.08566	0.9
145.10139	0.7
147.08017	0.4
147.11642	0.4
152.06215	0.3
153.07004	3.4
154.07808	1.5
155.08548	33.4
156.08882	1.9
157.10178	0.5
159.08092	0.3
161.09650	0.6
161.13213	0.4
165.06998	2.5
166.07767	0.9
167.08556	1.0
168.09329	0.3
169.10106	1.7
171.11832	0.2
175.11163	0.4
178.07759	3.2
179.07021	0.5
179.08536	4.0
180.09302	2.2
181.10089	2.3
183.11678	0.4
189.07059	0.7
189.12753	0.5
190.07735	1.0
191.08562	2.0
192.09326	9.1
192.11081	0.5
193.10121	8.9
194.10832	1.8
195.11702	4.6
196.12029	0.2
202.07861	0.9
203.06819	0.4
203.08559	3.7
204.09334	3.6
205.10118	11.5
206.10843	4.9
207.11682	19.0
208.12216	1.9
209.13232	0.6
215.08563	1.2
216.09308	2.0
217.10130	5.4
218.10887	5.0
219.11688	10.7
220.12311	2.1
221.13237	5.0
222.13812	0.4
223.14790	0.2
227.07025	0.2
229.10097	1.2
230.10875	2.4
231.11659	7.0
232.12447	5.9
233.13237	8.4
234.13853	1.6
235.11037	0.2
235.14807	0.5
237.08928	0.3
243.06503	0.3
243.11691	0.8
244.12447	1.2
245.13254	5.4
246.14021	4.3
247.14804	8.2
248.15300	0.7
249.09145	0.2
253.08560	0.3
255.06409	0.2
256.12506	0.3
257.08298	0.3
257.13306	0.7
258.14111	0.8
259.14804	2.4
260.15576	3.8
261.16364	9.1
262.16995	2.1
263.17896	0.2
265.08585	0.3
267.06476	0.5
269.08011	0.5
271.09650	0.4
271.14774	0.5
272.15475	0.3
273.16342	1.5
274.16959	0.4
275.17767	0.3
279.10114	0.6
280.07462	0.2
280.10803	0.2
281.08243	0.5
282.08765	0.4
284.10477	0.3
285.07535	0.4
286.17068	0.2
287.08682	0.3
287.17902	1.6
288.18552	0.3
289.19403	0.5
293.08115	0.3
295.09818	0.3
295.13266	0.9
296.10489	0.5
297.07635	0.4
297.10999	0.3
298.08258	0.3
299.09012	0.7
299.12372	0.3
301.10541	0.4
301.19431	0.3
302.20358	1.5
303.08618	0.4
306.12460	0.5
308.10297	0.4
309.11310	0.4
309.14902	0.6
310.15518	0.3
312.09787	0.3
313.10721	0.7
314.11292	0.5
317.10269	0.6
318.11176	1.0
322.11954	0.3
323.12787	1.5
324.13211	0.5
327.12161	0.6
328.12842	0.5
332.12531	0.9
333.13235	0.3
337.14334	1.0
338.15158	0.8
339.12305	0.5
341.17563	0.5
345.13287	0.5
355.15417	0.7
355.24106	0.3
359.14868	0.8
369.17001	2.0
370.17700	3.1
371.18350	0.4
372.20700	0.2
386.17184	0.6
401.24722	100.0
402.25058	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
55.05516	4.2
57.03435	0.3
57.07068	0.4
58.06615	0.4
58.13078	0.3
65.03914	0.3
65.30982	0.2
67.05506	2.8
67.68980	0.3
69.03422	0.3
69.07078	2.4
69.12276	2.1
70.06593	1.9
71.04993	0.4
72.08125	0.3
79.05491	1.0
81.07048	1.2
83.04980	5.7
83.08628	0.9
88.07634	3.0
89.07942	0.3
91.05486	2.6
93.07053	2.8
95.04986	0.3
95.08607	3.8
97.06532	0.3
98.22620	0.5
102.04829	0.2
102.09175	1.2
105.07050	1.8
107.08605	1.2
107.09225	0.3
109.06538	0.5
109.10119	0.4
111.04430	2.6
111.08089	1.4
115.05470	0.6
117.07011	1.2
119.08581	2.1
121.10141	0.4
128.06216	0.8
129.06995	1.7
131.08585	1.4
133.10152	1.2
135.08194	0.3
139.07549	0.4
141.06984	1.1
142.07779	2.5
143.08588	2.0
145.10118	1.1
147.08005	0.3
153.06979	0.6
154.07748	0.5
155.08554	9.5
156.09209	0.5
157.10120	2.0
159.11699	0.9
159.98463	0.2
165.07008	1.2
166.07747	0.5
167.08598	1.4
169.10110	1.6
171.11743	0.7
178.07800	0.8
179.08551	3.7
180.09369	0.6
181.10149	1.8
182.10934	1.1
183.11697	0.7
189.07095	0.4
191.08545	1.9
191.70804	0.3
192.09341	3.1
193.10118	3.2
194.10904	1.8
195.11690	1.6
196.12502	0.9
197.13275	3.9
202.07724	0.4
203.08600	1.9
204.09399	1.6
205.10165	4.6
205.11977	0.3
206.10899	4.2
207.11700	3.0
208.12389	0.5
209.13252	6.1
210.13622	0.6
215.08540	1.4
216.09277	1.8
217.10100	5.4
218.10892	2.4
219.11679	4.3
220.12456	1.0
221.13300	1.4
223.14903	0.4
229.10196	1.5
230.10901	2.9
231.11682	6.9
232.12448	4.8
233.13216	3.8
234.13980	1.0
235.14789	0.8
241.10135	0.6
242.11000	0.4
243.11714	1.9
244.12436	2.0
245.13272	6.7
246.13998	5.7
247.14796	8.6
248.15474	0.9
249.16382	0.6
257.13269	2.5
258.14001	1.5
259.14798	4.7
260.15558	3.3
261.16364	5.8
262.17133	1.9
263.17880	0.6
269.13400	0.5
271.14853	1.4
272.15570	2.9
273.16336	3.0
274.17087	1.8
275.17899	2.1
276.18530	0.3
283.14755	0.3
285.16415	0.5
286.17188	0.6
287.17926	7.8
287.79489	0.3
288.18408	1.3
289.19531	2.2
290.20081	0.6
291.20914	0.4
297.10300	0.6
297.16556	0.4
299.17902	0.5
300.18857	0.3
301.19467	1.5
302.20224	3.3
303.20782	0.5
313.19293	0.3
327.11279	0.7
338.34305	1.6
339.34552	1.9
344.11490	0.4
359.13892	1.0
371.19888	0.4
383.13651	0.3
400.37946	5.1
401.24747	100.0
401.38159	5.2
402.25089	10.4
402.30405	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.05511	3.3
56.67142	0.2
57.03436	0.4
65.03948	0.4
65.15253	0.2
67.05501	2.8
69.03428	0.3
69.07065	2.3
71.04987	0.4
73.21929	0.2
79.05497	1.7
81.07057	1.9
83.04986	6.4
83.08613	0.3
85.06558	0.4
91.05480	3.6
93.07043	3.6
95.04962	1.0
95.08603	4.9
97.02869	0.3
97.06525	0.5
98.23457	0.5
103.05480	0.5
105.04514	0.2
105.07027	3.2
107.08590	1.9
109.06499	0.5
109.10154	0.8
111.04449	2.1
111.08070	1.6
115.05454	0.6
117.07006	1.4
119.08579	1.7
121.10144	0.6
123.08057	0.6
128.06215	0.9
129.07024	1.9
131.08560	1.3
133.10127	1.2
135.08022	0.3
137.09624	0.3
141.07022	1.5
142.07784	2.8
143.08563	2.4
144.09276	0.4
145.10120	1.5
147.08070	0.4
153.07034	0.8
154.07777	0.9
155.08553	8.5
156.09268	0.5
157.10126	2.7
159.11714	1.1
161.09694	0.5
165.07011	1.7
165.09175	0.4
166.07753	0.6
167.08589	1.9
168.09349	0.3
169.10146	1.9
170.11009	0.3
171.11694	0.6
173.09578	0.3
173.13295	0.3
178.07768	1.1
179.08562	3.9
180.09322	1.1
181.10103	2.0
182.10947	0.5
183.11674	0.7
187.11177	0.5
190.07892	0.4
191.08583	1.5
192.09315	3.7
193.10121	3.1
194.10880	2.4
195.08099	0.3
195.11673	1.6
196.12428	1.0
197.13243	4.1
198.13802	0.3
202.07762	0.4
203.08562	1.5
204.09334	2.1
205.10115	4.6
206.10922	4.3
207.11668	3.5
208.12299	0.4
209.09718	0.5
209.13239	6.5
209.15222	0.3
210.13742	0.6
215.08614	1.2
216.09299	2.5
217.10120	5.7
218.10832	2.2
219.11678	5.3
220.12566	1.4
221.09814	0.3
221.13275	1.3
222.13846	0.3
223.11235	0.3
223.14877	0.5
229.10143	1.8
230.10878	2.6
231.11678	7.7
231.62535	0.2
232.12428	5.1
233.13225	4.4
234.13933	1.1
235.11198	0.3
235.14801	1.1
240.04182	1.7
242.11003	0.4
243.02937	0.5
243.11690	2.3
244.12498	1.8
245.13260	7.2
246.14026	6.1
247.14801	8.4
248.15404	1.1
249.16374	1.1
250.06209	0.4
251.14520	0.3
255.11661	0.4
256.12323	0.6
257.13242	3.2
258.14035	1.7
259.14828	4.6
260.15533	3.9
261.13452	0.2
261.16364	6.2
261.19073	0.5
262.17145	1.9
263.07193	0.3
263.17960	0.8
264.18683	0.3
265.08563	0.8
267.06607	0.4
268.07361	0.3
269.13239	0.3
270.14053	0.4
271.06079	0.3
271.14908	1.1
272.15607	2.9
273.16354	3.1
274.17081	2.1
275.17905	2.5
276.18466	0.4
279.06558	0.5
281.08264	0.4
283.14801	0.4
285.16364	0.9
286.04584	1.2
286.17230	0.4
287.14606	0.4
287.17908	8.7
288.18375	1.4
289.16476	0.3
289.19479	1.7
290.20187	1.0
291.21326	0.3
292.07498	0.4
293.08118	0.5
297.16330	0.4
298.17307	0.3
300.18646	0.3
300.79428	0.3
301.07071	2.1
301.19547	0.8
302.07639	0.4
302.20203	2.8
303.21005	0.7
308.06763	0.6
311.09088	0.3
313.19540	0.4
314.08087	0.4
323.09198	1.2
324.09616	0.3
325.19666	0.3
327.08755	0.4
327.21323	0.3
329.10428	0.3
337.06976	0.4
353.10254	0.5
355.24286	0.4
365.10486	0.3
371.19757	0.6
383.11508	0.5
401.24753	100.0
402.25085	10.6
427.15820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32640	0.2
53.03950	0.5
55.01842	0.2
55.05512	2.8
57.03440	0.3
64.08961	0.2
65.03938	0.3
67.05511	2.5
67.05848	0.3
69.03425	0.3
69.07069	1.3
70.52616	0.3
70.52942	0.3
74.48616	0.2
79.05492	1.1
81.07058	1.1
83.04980	5.6
91.05475	3.1
93.07050	2.7
95.04962	0.5
95.08609	3.7
97.06527	0.2
103.05469	0.2
105.07033	2.5
107.08569	1.5
109.06500	0.4
111.04448	2.3
111.08080	1.3
115.05460	0.8
117.07036	0.8
119.08578	1.3
121.06447	0.3
121.10166	0.3
123.08043	0.5
125.05988	0.2
128.06219	0.8
129.07005	1.2
130.07841	0.3
131.08589	1.3
133.06412	0.2
133.10124	1.1
135.08046	0.2
139.07593	0.3
141.07001	1.5
142.07802	2.5
143.08588	2.0
145.06528	0.3
145.10103	1.0
147.11668	0.4
153.06996	0.7
154.07747	0.6
155.08554	9.5
156.09200	0.4
157.10132	2.1
159.11731	0.9
161.09691	0.3
165.06982	1.5
166.07784	0.7
167.08540	1.5
168.09351	0.4
169.10162	1.9
171.11710	0.5
172.08813	0.2
178.07797	0.8
179.08553	3.7
180.09346	0.8
181.10114	2.0
182.10861	0.6
183.11676	0.8
189.07111	0.4
190.07738	0.6
191.08542	1.5
192.09337	2.9
193.10143	2.7
194.10892	1.9
195.11667	1.5
196.12473	0.8
197.13263	4.2
202.07857	0.9
203.08522	2.1
204.09346	1.3
205.10139	4.2
206.10896	3.8
207.11647	2.9
208.12459	0.4
209.13257	6.1
210.13664	0.4
215.08521	1.5
216.09320	2.3
217.10127	4.7
218.10861	2.2
219.11676	4.9
220.12434	1.2
221.09573	0.2
221.13203	1.2
223.07622	0.3
223.14856	0.5
224.12123	0.2
228.09482	0.2
229.10127	1.7
230.10858	2.9
231.11664	7.9
232.12445	5.0
233.13200	3.9
234.06775	0.3
234.13905	1.1
235.14728	0.5
237.09052	0.4
239.08360	0.2
239.50294	0.2
242.10928	0.5
243.11594	1.7
244.12427	1.9
245.13252	7.1
246.14043	5.4
247.14801	8.6
248.15434	1.0
249.09160	0.5
249.16322	0.4
251.06990	0.7
255.11920	0.2
256.12567	0.4
257.13232	2.8
258.14050	1.7
259.14850	4.2
260.15558	3.4
261.16376	5.5
262.17078	1.6
263.07004	0.4
263.17914	0.5
265.08643	0.5
266.09320	0.5
268.07446	0.3
269.13400	0.3
271.12265	0.2
271.14783	1.4
272.15579	1.9
273.16364	3.2
274.17053	1.9
275.17960	2.2
276.18469	0.4
277.08719	0.6
278.09360	0.5
279.06604	0.5
280.06870	0.2
281.11752	0.4
283.09723	0.3
283.14789	0.3
284.15674	0.2
285.16309	0.5
286.17178	0.6
287.17920	8.8
288.18417	1.1
289.19498	2.1
290.20206	0.5
291.21097	0.5
293.08081	0.3
294.08856	0.8
295.09668	0.4
297.16287	0.4
299.17856	0.3
301.19299	1.1
302.20258	3.0
303.20901	0.4
309.11078	1.3
310.12036	0.4
311.09235	0.6
311.17816	0.3
313.19409	0.2
326.11545	0.4
327.21014	0.3
337.10757	1.3
339.08499	0.3
341.13818	1.0
342.14505	0.3
351.12387	0.3
352.13049	0.2
354.11200	0.3
355.11591	0.2
358.14032	0.5
369.13275	0.6
371.19897	0.5
373.16293	1.3
383.14444	0.3
401.16010	3.1
401.24741	100.0
402.25101	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.01861	1.6
55.05513	14.8
57.03419	1.7
57.07077	3.5
65.03941	1.9
67.05507	14.3
69.07078	9.0
71.30222	2.5
77.18729	1.2
79.05495	6.1
81.07061	14.2
83.04983	42.1
83.08626	3.9
87.54879	1.2
91.05485	9.1
93.07045	15.1
95.04981	3.5
95.08610	26.3
105.07032	9.3
107.08586	8.0
108.02208	1.4
109.02919	1.5
109.06515	3.8
109.10167	9.1
110.09271	1.3
111.04442	16.6
111.08070	7.2
113.05975	1.7
117.07018	3.4
119.08572	8.0
121.06535	3.8
121.10136	3.3
123.08067	4.1
123.11703	1.5
125.05990	2.7
128.06227	2.5
129.07016	4.3
131.08562	4.9
133.10144	5.3
137.05965	11.2
139.07550	5.1
141.06975	3.4
141.09119	2.5
142.07779	22.1
143.08554	3.6
144.09386	1.4
145.10155	6.2
147.08054	2.1
147.11696	3.9
151.07503	2.5
155.08577	5.8
156.09306	1.6
157.10126	58.7
158.10559	1.8
159.11732	6.1
161.09634	3.2
163.11189	1.6
165.07027	2.4
167.08536	1.8
169.10167	3.5
171.11720	9.4
172.08710	1.5
173.09671	3.2
175.11214	2.9
177.09242	1.4
178.07790	2.2
179.08571	4.5
180.09329	4.2
181.10127	4.0
182.10968	2.3
183.11784	3.8
185.13275	2.3
191.08493	2.3
191.10701	2.5
192.09378	3.6
193.10133	6.1
193.11972	2.0
194.10919	6.0
195.11728	11.0
195.13235	1.8
197.13284	4.8
203.08531	3.1
204.09299	2.3
205.10167	7.2
205.12120	2.5
206.10901	7.2
207.11696	14.3
207.13544	2.2
208.12430	5.4
209.13255	20.8
210.13687	1.6
211.14853	4.6
215.08513	2.6
216.09300	4.3
217.10197	10.2
218.10970	4.6
219.11653	7.9
220.12436	6.4
221.13249	16.2
222.14023	9.3
223.14822	12.7
229.10141	3.3
230.10846	4.0
231.11685	34.1
232.12453	10.7
233.13177	9.1
235.14819	17.9
236.15376	1.8
243.11682	11.7
244.12434	5.5
245.13278	24.1
246.14006	31.0
247.14804	20.4
248.15514	1.5
249.12631	1.6
249.16382	2.4
256.12280	1.7
257.13071	9.7
257.15274	2.7
258.13986	13.8
259.14795	20.0
260.15573	13.3
261.16364	61.9
262.17108	13.5
263.17886	10.1
269.13239	3.4
271.14896	6.1
272.15527	9.9
273.16327	20.8
274.17087	10.2
275.17743	8.2
283.14975	2.4
284.15622	2.5
285.16318	5.4
286.17130	3.9
287.17935	34.1
288.18488	5.9
289.19534	11.7
291.21173	5.5
297.16342	1.9
299.17957	4.3
301.19510	14.3
302.20248	46.2
303.17471	5.2
303.20883	6.4
312.18857	2.1
313.19485	3.3
317.10126	3.4
318.10934	1.9
323.12863	2.8
327.12320	2.1
327.21036	5.6
332.12497	2.8
337.14301	3.8
338.15179	2.2
345.13098	1.7
355.15607	2.2
355.24191	6.0
365.22522	1.7
369.16956	3.4
370.17773	3.4
372.13757	1.9
383.23538	6.4
385.14438	3.3
386.15387	1.7
401.13782	8.1
401.18011	11.0
401.24719	100.0
401.33063	7.8
402.19067	3.4
402.25070	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.2
55.05510	3.1
55.90739	1.4
57.03442	3.0
61.02909	1.3
65.03948	1.9
67.05500	12.8
69.03426	6.9
69.07076	6.9
70.39239	1.2
71.30074	1.5
79.05501	8.6
81.03423	2.9
81.07057	100.0
82.07399	3.2
83.08605	3.3
85.02908	25.9
91.03971	1.2
91.05491	7.1
93.07041	22.4
95.04993	2.1
95.08612	19.8
97.02895	7.2
97.06532	8.8
97.10171	4.4
105.07025	12.6
107.08590	12.0
109.02882	1.9
109.10162	11.5
110.10490	1.1
111.11728	2.9
119.08596	6.0
121.10133	17.0
123.08052	1.3
123.11701	13.8
125.06008	2.0
125.09685	1.9
127.03903	5.4
133.10129	13.3
135.11694	5.1
137.06018	2.0
137.13248	1.9
139.11186	11.2
145.04959	7.0
145.06516	1.3
147.11644	7.8
149.13268	3.9
151.07504	2.6
151.11201	2.0
153.01811	2.1
159.11583	2.3
161.13255	4.3
163.14816	46.1
164.15222	1.5
165.05513	3.8
167.07118	2.0
169.84808	1.2
175.07617	1.6
175.14819	3.3
181.05019	2.8
182.29289	1.3
193.19504	2.7
203.10748	2.4
203.17963	44.5
204.18362	3.1
205.19501	2.3
219.10149	2.6
221.18994	30.3
222.19337	2.7
247.09682	4.3
260.99988	1.3
263.09195	4.7
279.10284	1.8
295.13214	1.7
309.11188	2.4
324.13831	1.5
325.10751	2.6
340.12976	2.3
355.15436	16.5
369.13519	1.5
375.01385	1.4
401.16238	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77467	4.9
55.01888	7.6
67.02167	5.4
69.03444	6.9
69.29315	26.0
70.06612	25.8
79.05523	4.6
80.76266	4.6
85.02876	7.5
86.09735	5.7
91.05501	5.2
98.97568	5.0
103.05486	6.2
105.07051	9.0
119.04936	5.3
123.04465	7.7
131.04942	18.7
133.06531	7.6
135.04468	5.8
135.08058	6.5
147.04378	29.7
148.06194	14.2
161.06003	7.2
169.06520	10.0
177.05611	13.1
179.18959	5.0
184.11240	6.0
187.03912	11.9
189.05458	8.1
191.07042	17.3
197.06049	4.8
204.04211	12.7
205.05130	6.2
215.07132	9.2
219.06477	11.1
219.75044	5.0
222.07559	6.7
231.06572	5.4
240.12326	5.7
241.10503	17.6
243.06483	9.1
245.04503	7.7
245.08163	5.0
255.09892	5.1
257.08276	9.8
260.06799	13.7
270.06525	5.3
273.07742	5.6
275.09161	100.0
277.07138	15.9
287.05447	8.5
301.07193	7.9
319.08167	22.0
337.09232	27.5
402.13199	17.3
402.14261	17.4
403.15665	66.0
403.19821	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33844	2.2
66.60660	2.1
69.03422	4.7
71.30876	2.4
79.05515	3.1
81.07054	6.3
85.02929	11.9
90.82235	1.9
91.05467	3.8
95.04939	2.7
97.02915	3.5
100.03950	2.0
101.63905	1.9
104.06251	2.7
105.07026	31.4
107.08614	3.1
109.06503	2.3
121.06487	2.1
122.83341	2.1
127.03812	2.1
132.05731	4.7
133.06494	47.4
135.04430	2.2
137.05978	22.2
149.05965	3.0
150.06763	53.8
151.85361	1.9
157.06441	2.1
165.09122	100.0
166.09456	6.2
181.04915	2.9
193.30573	2.0
205.12239	2.6
223.11290	2.1
223.13275	11.0
403.18918	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	4.0
68.98307	2.1
71.28162	2.0
77.00884	1.6
82.55551	1.6
83.04983	5.8
83.71613	1.5
86.99321	3.3
93.03414	9.2
95.04946	3.6
101.00883	15.3
103.02470	1.5
105.00407	2.5
111.04447	3.2
113.00873	3.9
115.02446	5.6
119.01920	25.4
121.02870	22.8
125.04453	1.8
125.66920	1.6
127.02524	2.0
127.69154	1.4
131.01898	9.9
133.03477	7.1
137.02959	4.1
139.02409	2.8
141.03970	6.2
143.01907	2.0
144.99878	2.7
145.03513	6.3
147.01408	5.6
151.02440	4.4
153.03987	15.2
155.01888	4.1
157.03537	3.9
159.01393	3.4
159.05057	3.3
161.00908	2.2
161.02995	2.1
168.02542	1.4
169.03450	20.3
170.03542	2.2
171.01430	6.0
171.05031	19.4
172.05197	1.7
173.02986	6.6
175.00888	3.6
179.01891	17.4
183.05000	5.4
185.03035	2.6
185.06641	2.3
187.04549	7.6
189.02461	5.2
189.03989	1.9
191.04005	1.9
193.03444	3.6
195.01460	7.4
195.03368	1.8
195.04988	10.2
197.02956	100.0
198.03212	9.0
199.01047	1.5
199.04539	1.7
203.01953	5.5
205.01935	2.0
205.51218	1.8
207.05055	3.2
209.02950	4.8
209.06570	2.2
211.04494	12.0
215.03989	52.2
216.04239	6.0
217.01982	2.7
219.01973	1.8
221.03008	16.5
223.04524	4.2
225.02367	2.0
229.05507	8.5
233.01309	3.0
233.05058	17.7
235.04614	4.3
239.04028	22.5
247.06535	8.0
249.02477	4.8
251.02319	2.0
253.05582	6.6
257.05048	32.3
263.03821	1.8
265.01990	4.7
267.03540	10.6
269.04977	2.1
271.06516	1.9
275.06110	70.7
276.06226	5.3
279.03549	3.0
281.05060	2.3
283.02985	11.8
284.02899	2.6
285.04660	7.6
287.06061	4.9
291.03458	3.3
293.04941	2.1
295.03046	4.1
297.04498	7.4
298.07474	2.9
301.03952	10.9
303.05731	3.8
305.07211	3.2
309.04626	6.4
311.02582	8.8
311.05981	3.3
313.03961	9.1
315.05490	11.2
327.05627	5.9
329.03549	17.4
330.03778	1.9
331.05154	8.2
333.06534	4.9
341.07016	3.6
343.05231	7.8
345.06720	11.6
355.05029	5.9
359.10464	2.2
361.06195	16.4
362.06406	2.4
371.04196	2.8
371.08496	2.6
373.06152	18.1
389.05301	18.4
389.09543	5.6
390.05765	1.8
403.06686	8.1
421.08160	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
69.03426	1.0
69.06089	6.0
71.04974	0.6
83.04987	0.6
85.02876	0.8
95.81847	0.6
98.23476	1.3
99.04417	0.8
102.58997	0.5
105.07003	0.6
107.04955	1.0
107.08655	0.7
116.99979	0.6
123.04447	3.2
123.11758	0.7
125.09637	0.6
133.06538	0.7
134.18904	0.6
137.05934	1.0
138.56213	0.6
139.03891	1.1
139.07600	0.7
163.03905	0.9
167.07010	1.5
185.04146	1.0
185.06676	0.6
189.12938	0.6
191.07024	0.7
203.05243	8.2
204.75546	0.6
223.13197	1.5
241.10474	18.8
241.14165	0.7
242.10718	1.1
355.33765	0.7
385.12692	1.5
403.15704	100.0
404.16006	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
64.64148	0.5
66.41089	0.6
69.03411	0.7
69.07748	0.5
70.75984	1.1
73.02917	0.5
76.66824	0.9
85.02882	1.3
91.05438	1.5
119.04883	0.7
123.04383	0.7
139.03877	0.7
147.04388	1.2
150.67567	0.5
175.03902	2.2
185.04216	3.0
192.04120	1.1
207.06488	5.4
225.07535	1.4
241.10458	100.0
242.10773	4.0
385.12643	0.6
403.15717	81.3
404.16107	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13865	1.1
59.05001	29.4
60.72688	1.0
69.03416	1.6
69.61563	4.9
71.87160	1.2
79.05519	1.5
81.03411	2.8
81.07059	1.0
85.02914	1.9
91.05477	2.7
93.07056	1.2
98.98473	1.8
99.04430	1.6
105.06996	1.4
111.23304	1.1
119.82776	1.1
121.10145	1.3
123.04450	2.4
125.06026	1.3
128.07149	1.5
133.06508	1.7
137.05975	2.7
151.07504	1.9
153.05453	1.5
161.05981	2.7
163.03966	1.3
163.07542	1.3
163.11208	1.4
165.07019	4.2
167.07060	4.2
167.08415	1.8
169.06474	1.6
173.06004	2.7
174.06784	1.4
179.08633	2.4
181.05025	1.5
181.06551	2.6
182.07214	2.8
183.08060	1.8
185.06071	1.4
189.09158	2.4
191.07021	3.4
193.06564	2.4
194.07224	1.7
195.08069	4.3
197.05956	2.2
197.09698	1.4
198.06799	1.7
199.07581	3.2
203.07036	2.0
204.07820	1.2
207.08092	2.0
207.10072	1.4
207.13956	1.3
209.06061	2.5
209.09564	1.4
210.06689	7.7
211.07542	5.8
213.05464	3.2
213.09024	1.5
217.04872	1.3
219.10199	1.4
221.06006	5.1
222.06795	4.3
223.04016	2.1
223.07553	3.3
224.08327	4.9
225.09117	11.1
226.06277	1.9
226.09872	1.8
227.06990	10.9
228.07790	2.3
229.04962	5.0
235.07544	4.0
236.04665	2.0
237.05473	2.5
237.09200	2.2
238.06204	14.0
239.06972	7.5
240.07858	2.1
241.04977	5.0
241.08629	4.0
241.12131	1.4
242.05673	1.4
242.09409	3.8
243.06686	1.4
244.07472	1.8
249.05408	1.2
250.09944	2.2
251.03461	1.5
251.07008	8.6
252.03978	1.4
252.07906	4.5
253.08592	37.6
254.05791	2.7
254.09282	6.7
255.06500	11.1
255.10225	2.4
256.07300	7.8
257.04770	1.6
257.08063	4.8
259.06152	2.8
263.07095	2.8
265.05136	1.2
265.08682	4.5
265.11902	1.7
266.05820	9.8
266.09207	2.6
267.06497	8.5
267.10153	4.1
268.07202	2.4
268.10773	2.1
269.08191	3.9
269.11801	3.6
270.08832	9.7
271.09607	5.7
272.06839	1.5
273.07721	5.0
277.08524	2.0
278.09430	3.9
279.10205	3.6
280.07468	3.5
281.08075	59.9
282.08780	15.6
283.06085	6.8
283.09586	3.7
284.06705	3.5
284.10068	1.2
285.07584	4.3
285.11288	13.9
286.11755	1.8
287.05557	3.6
287.09152	3.8
289.07104	2.5
293.11743	4.3
295.06659	1.6
295.09616	7.5
296.10284	2.7
297.07556	3.6
297.11270	8.6
297.37631	1.4
298.08444	8.9
299.09052	8.6
300.09854	2.3
300.13504	1.9
301.07431	2.2
301.10831	3.4
301.14343	1.7
302.07822	9.4
303.08569	1.4
304.09402	5.8
305.10223	1.6
307.09729	3.6
308.42462	1.2
310.12015	3.2
311.12851	3.7
312.09857	2.0
313.07074	2.5
313.10681	51.9
314.11279	12.7
315.08624	4.7
315.12012	3.0
316.09531	5.1
317.10187	43.6
318.10684	3.7
321.11093	6.5
322.11890	2.6
323.09274	3.2
325.14383	3.7
327.12228	2.4
329.13870	15.9
330.11008	9.8
330.14346	2.2
331.11646	12.0
338.11636	2.0
339.12289	14.5
340.13004	4.6
345.13324	100.0
346.13751	12.4
353.13760	11.8
354.14517	2.9
361.16312	2.1
370.14093	1.8
371.14874	15.9
372.15381	2.9
385.16446	21.8
386.16818	1.8
388.15244	2.8
403.17548	40.8
404.17871	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13865	1.1
59.05001	29.4
60.72688	1.0
69.03416	1.6
69.61563	4.9
71.87160	1.2
79.05519	1.5
81.03411	2.8
81.07059	1.0
85.02914	1.9
91.05477	2.7
93.07056	1.2
98.98473	1.8
99.04430	1.6
105.06996	1.4
111.23304	1.1
119.82776	1.1
121.10145	1.3
123.04450	2.4
125.06026	1.3
128.07149	1.5
133.06508	1.7
137.05975	2.7
151.07504	1.9
153.05453	1.5
161.05981	2.7
163.03966	1.3
163.07542	1.3
163.11208	1.4
165.07019	4.2
167.07060	4.2
167.08415	1.8
169.06474	1.6
173.06004	2.7
174.06784	1.4
179.08633	2.4
181.05025	1.5
181.06551	2.6
182.07214	2.8
183.08060	1.8
185.06071	1.4
189.09158	2.4
191.07021	3.4
193.06564	2.4
194.07224	1.7
195.08069	4.3
197.05956	2.2
197.09698	1.4
198.06799	1.7
199.07581	3.2
203.07036	2.0
204.07820	1.2
207.08092	2.0
207.10072	1.4
207.13956	1.3
209.06061	2.5
209.09564	1.4
210.06689	7.7
211.07542	5.8
213.05464	3.2
213.09024	1.5
217.04872	1.3
219.10199	1.4
221.06006	5.1
222.06795	4.3
223.04016	2.1
223.07553	3.3
224.08327	4.9
225.09117	11.1
226.06277	1.9
226.09872	1.8
227.06990	10.9
228.07790	2.3
229.04962	5.0
235.07544	4.0
236.04665	2.0
237.05473	2.5
237.09200	2.2
238.06204	14.0
239.06972	7.5
240.07858	2.1
241.04977	5.0
241.08629	4.0
241.12131	1.4
242.05673	1.4
242.09409	3.8
243.06686	1.4
244.07472	1.8
249.05408	1.2
250.09944	2.2
251.03461	1.5
251.07008	8.6
252.03978	1.4
252.07906	4.5
253.08592	37.6
254.05791	2.7
254.09282	6.7
255.06500	11.1
255.10225	2.4
256.07300	7.8
257.04770	1.6
257.08063	4.8
259.06152	2.8
263.07095	2.8
265.05136	1.2
265.08682	4.5
265.11902	1.7
266.05820	9.8
266.09207	2.6
267.06497	8.5
267.10153	4.1
268.07202	2.4
268.10773	2.1
269.08191	3.9
269.11801	3.6
270.08832	9.7
271.09607	5.7
272.06839	1.5
273.07721	5.0
277.08524	2.0
278.09430	3.9
279.10205	3.6
280.07468	3.5
281.08075	59.9
282.08780	15.6
283.06085	6.8
283.09586	3.7
284.06705	3.5
284.10068	1.2
285.07584	4.3
285.11288	13.9
286.11755	1.8
287.05557	3.6
287.09152	3.8
289.07104	2.5
293.11743	4.3
295.06659	1.6
295.09616	7.5
296.10284	2.7
297.07556	3.6
297.11270	8.6
297.37631	1.4
298.08444	8.9
299.09052	8.6
300.09854	2.3
300.13504	1.9
301.07431	2.2
301.10831	3.4
301.14343	1.7
302.07822	9.4
303.08569	1.4
304.09402	5.8
305.10223	1.6
307.09729	3.6
308.42462	1.2
310.12015	3.2
311.12851	3.7
312.09857	2.0
313.07074	2.5
313.10681	51.9
314.11279	12.7
315.08624	4.7
315.12012	3.0
316.09531	5.1
317.10187	43.6
318.10684	3.7
321.11093	6.5
322.11890	2.6
323.09274	3.2
325.14383	3.7
327.12228	2.4
329.13870	15.9
330.11008	9.8
330.14346	2.2
331.11646	12.0
338.11636	2.0
339.12289	14.5
340.13004	4.6
345.13324	100.0
346.13751	12.4
353.13760	11.8
354.14517	2.9
361.16312	2.1
370.14093	1.8
371.14874	15.9
372.15381	2.9
385.16446	21.8
386.16818	1.8
388.15244	2.8
403.17548	40.8
404.17871	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07562	2.8
65.69647	2.6
67.05488	3.9
69.07076	3.5
70.73756	3.0
75.50283	2.6
79.05470	3.6
81.07063	8.9
91.05482	4.7
91.32613	2.7
91.41983	2.7
92.83262	2.5
93.07104	4.0
98.22472	6.5
105.07044	4.9
109.06582	3.3
111.04419	2.9
119.08528	4.1
120.65269	2.6
128.06273	4.0
137.05943	5.8
141.06920	3.5
145.10121	3.1
153.07054	5.8
155.08549	8.8
159.08110	3.9
167.07092	4.4
169.10136	7.3
171.08049	3.5
175.07565	4.0
181.04988	5.1
181.06454	2.9
182.07256	4.8
193.04878	3.8
193.10172	5.1
195.08112	3.9
197.09680	3.7
198.06711	4.3
199.07446	7.1
203.10744	3.9
210.06795	3.1
211.07558	4.0
213.05528	8.7
213.08989	4.1
221.09724	4.1
223.07605	4.6
223.11258	6.9
224.08167	4.0
225.09138	11.8
226.06305	4.0
227.03358	3.7
227.07024	15.4
229.04877	3.5
233.09734	4.6
235.07587	3.8
237.12720	4.5
238.06189	6.6
239.06987	3.3
241.04941	19.9
242.05473	5.4
242.09381	5.3
243.06464	6.0
247.11136	3.5
251.10745	3.4
252.07771	4.4
253.08568	14.6
255.06557	7.7
256.07352	24.4
259.06085	20.4
267.06448	6.5
267.10175	9.9
269.04462	6.3
269.08087	3.6
270.08905	8.6
271.05966	3.4
272.06845	11.3
273.07584	6.4
278.09579	8.2
279.10297	5.3
281.08078	23.5
283.06024	4.8
284.06827	7.6
285.11081	7.0
287.05499	19.5
287.09119	13.9
289.07089	6.5
293.11603	7.0
295.09711	8.6
298.08411	7.0
299.09192	5.8
301.06985	4.8
302.07837	38.0
303.08524	8.5
305.15323	3.5
310.12082	3.7
313.10748	27.5
314.11182	4.4
315.08676	9.1
316.09375	5.8
317.07126	4.0
317.10199	100.0
318.10696	8.2
319.11691	5.4
320.09161	5.3
321.11197	9.6
322.12015	4.0
327.12341	8.5
330.10947	6.6
333.09634	3.8
339.12134	8.9
345.13303	29.4
347.11084	9.6
353.13739	19.0
354.14581	9.5
359.14948	9.1
370.14001	3.6
385.16513	41.5
386.16788	4.1
393.46542	3.5
403.18875	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1751
Annotation	Kadsuralignan A
Peak:m/z	Relative Intensity
65.75181	1.7
69.41366	10.0
81.07056	3.0
84.89050	1.8
91.05490	2.4
93.07051	2.0
95.08604	2.7
102.50016	1.6
105.07032	3.8
107.08627	2.1
109.80152	1.8
118.70779	1.6
119.08627	2.3
133.10086	2.6
141.06960	2.2
153.06943	2.4
155.08549	2.7
159.07985	2.3
162.05588	1.9
165.07016	2.1
169.06512	2.7
171.08026	1.8
181.06505	1.9
181.10098	2.2
184.05167	6.6
187.39482	2.1
190.02385	2.1
192.09352	2.5
193.10040	2.3
195.08060	2.3
197.05934	4.8
198.06621	2.0
199.07547	6.8
207.08131	3.3
207.11606	3.5
209.09644	5.0
210.06842	2.5
211.07559	5.1
212.04742	3.5
212.08337	2.1
213.05418	2.7
214.06230	2.8
215.06998	2.2
217.08435	2.0
219.08130	2.4
219.11899	1.7
220.08812	3.7
221.09677	2.4
223.07564	2.2
223.11064	2.4
224.04747	1.9
225.05568	2.0
225.09076	2.9
225.77179	1.8
225.98561	1.8
226.06274	9.7
227.03484	2.2
227.07043	14.8
229.05028	2.1
232.10883	2.5
234.10269	2.3
235.07680	2.1
235.11157	7.5
237.09067	4.2
239.06984	6.7
240.04158	4.1
241.04988	4.7
241.08502	3.5
242.05664	6.3
243.06487	3.4
247.07411	2.4
247.11226	2.1
248.08238	4.7
249.09233	9.8
250.06050	2.4
251.07007	3.4
251.10797	3.5
252.07872	2.3
253.04782	2.1
253.08638	4.9
254.05748	11.6
255.06519	7.0
255.10165	2.8
256.07217	8.3
257.08026	7.1
261.05145	2.2
261.09036	2.0
263.07083	2.4
263.10635	10.2
265.08533	14.4
265.11578	2.9
266.09067	3.6
267.06393	3.0
267.10120	5.0
267.13727	2.9
269.08081	12.8
270.05319	4.6
271.06003	7.4
271.09479	2.5
277.08609	9.4
277.11551	2.0
278.09219	3.3
279.10117	6.6
280.10880	8.0
281.08218	3.2
281.11581	5.5
282.08554	2.2
283.06039	6.5
283.09607	2.9
285.07562	38.2
286.08295	15.8
287.08957	3.3
291.10092	7.6
292.10922	4.6
293.08063	7.4
293.11649	8.4
294.08820	3.5
294.12411	3.4
295.09702	6.5
295.13287	19.6
296.13635	2.4
297.07516	13.9
297.11014	5.7
298.08124	5.9
299.09122	3.8
300.06281	6.2
307.09607	5.8
308.10367	4.9
309.11136	9.1
310.11859	7.9
311.08987	4.9
313.10596	3.9
315.08597	12.4
316.09302	4.3
317.10104	8.6
321.11188	5.3
322.11935	6.4
323.09308	3.2
323.12735	26.7
324.09879	2.7
324.13477	5.2
325.10788	3.7
325.14319	5.7
327.15866	6.7
329.10211	3.8
338.11398	8.1
339.12180	5.0
340.12949	4.4
343.11664	4.2
353.13821	100.0
354.14532	60.1
355.15366	62.6
356.15720	7.6
359.13956	2.0
370.13885	2.7
385.16409	56.4
386.16617	4.3
403.16974	6.2
403.22272	4.3
414.80933	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.175
Annotation	Kadsuralignan A
Peak:m/z	Relative Intensity
55.05500	1.0
59.68495	0.8
59.74932	0.8
62.86991	0.8
67.05511	0.9
69.07077	2.0
69.10194	8.8
74.77327	0.9
77.80543	1.0
81.07036	1.1
82.58919	0.9
83.04976	1.8
90.39229	0.8
91.05477	1.2
91.63229	0.8
91.68220	0.9
94.07132	0.8
95.08628	1.8
98.22560	2.0
119.08544	1.3
121.06463	1.0
121.10175	0.9
131.08556	1.0
141.07004	1.4
142.07834	1.0
155.08568	3.4
157.10187	0.9
166.07697	1.4
167.07097	1.6
167.08582	1.2
168.05754	1.1
169.06622	1.1
169.10049	1.3
173.06079	1.0
179.08511	2.2
181.04967	1.1
181.06456	1.2
181.10109	1.0
184.05220	1.5
189.09192	1.1
191.07076	1.6
194.10797	1.3
195.06404	0.9
195.11661	1.3
196.05164	1.9
197.05942	1.9
197.13225	1.7
198.06738	2.5
199.07536	3.2
203.08569	1.7
203.10693	2.7
205.10269	1.6
206.10876	1.4
207.08055	1.8
207.11810	2.2
208.08722	0.9
209.09517	1.8
209.13084	1.9
210.06879	1.2
211.07579	1.6
211.11203	1.0
211.14954	0.9
212.04778	1.8
213.05479	2.4
215.07072	1.1
218.07283	1.4
219.08162	2.0
221.05965	1.1
221.09735	2.2
221.13287	0.9
222.10477	1.7
223.07678	1.8
223.11180	2.5
224.08250	1.9
225.05449	1.0
225.09007	1.8
226.06245	5.0
227.06973	8.7
229.05020	2.5
233.09671	2.8
234.06699	1.4
235.07506	7.9
235.11195	1.3
235.14723	1.3
236.08371	1.8
237.05598	1.4
237.09125	1.5
237.12784	1.3
238.09673	1.1
239.07083	2.1
239.10625	5.1
240.07755	2.0
241.04919	1.6
241.08649	3.0
242.05641	2.4
243.06485	4.2
244.07336	1.7
247.07631	4.2
248.08505	1.7
249.09105	8.3
249.16353	1.4
250.09918	7.0
251.07130	1.7
251.10486	4.3
252.04242	4.6
252.07968	2.6
253.04848	1.0
253.08607	3.6
253.12271	1.4
254.05740	1.2
254.09290	1.4
255.06511	4.2
255.10223	1.1
256.07355	2.9
257.04498	2.3
257.07956	5.4
258.05255	1.0
258.08868	1.3
259.06012	2.5
259.09818	1.1
260.08490	1.1
261.09097	5.0
262.06189	1.0
262.09879	3.0
263.07089	13.4
263.10095	1.7
263.10587	1.4
263.17905	1.2
264.07654	4.2
264.11523	1.3
265.08655	2.8
265.12277	9.5
266.09442	1.9
266.12643	1.0
267.06787	1.8
267.10147	14.6
268.07471	1.3
268.10889	2.1
269.04520	1.0
269.08112	3.3
269.11676	1.3
270.05225	5.3
270.08594	1.0
271.06046	3.7
271.09647	1.8
272.06757	4.5
273.07492	3.0
275.06961	1.0
277.08630	10.3
278.09387	17.6
279.06778	1.4
279.10065	14.4
280.07285	3.2
280.10629	1.8
281.08148	4.1
281.11584	2.2
282.05319	4.0
282.08682	1.8
282.12424	5.7
283.05881	2.8
283.09537	1.3
283.13092	1.0
284.10394	1.5
285.07617	10.9
285.10962	1.4
286.08334	3.8
287.05911	1.6
287.09076	14.1
288.06335	1.2
288.09720	2.8
289.08850	1.2
290.09512	2.2
291.06436	3.7
291.10132	2.1
292.07355	2.8
292.10965	4.7
293.08157	2.4
293.11679	40.2
293.14981	2.0
294.08987	1.9
294.12256	5.9
295.09653	26.2
295.12909	1.4
296.10229	7.0
297.07571	2.3
297.10922	1.8
299.09164	2.1
300.06366	3.4
300.10025	4.9
301.06961	4.7
301.10715	4.6
302.07935	2.7
303.08569	2.4
305.08170	4.0
306.08856	7.3
307.06030	1.3
307.09619	25.1
307.12732	1.6
308.06912	1.5
308.10083	4.2
309.07703	1.8
309.11206	4.0
310.11948	14.1
311.09384	1.9
311.12723	6.7
312.09869	3.6
312.13058	1.0
313.10666	3.0
314.11346	1.7
315.08707	30.7
315.12280	5.0
316.09189	5.6
317.10199	6.9
319.11804	2.1
320.10428	3.5
321.11182	25.8
322.11951	18.7
323.09164	16.5
323.12610	2.8
324.09824	3.1
324.13382	1.4
325.10751	1.0
325.14279	14.7
326.14838	1.8
327.12329	7.0
328.09494	1.3
329.10254	2.6
333.09561	2.2
336.13586	4.0
337.10751	1.7
338.11459	13.0
339.12192	19.3
340.12762	2.6
341.10214	1.1
343.11768	10.0
343.15491	2.2
344.12271	2.4
345.13437	1.5
353.13828	71.5
354.14462	20.5
355.11377	4.5
356.12277	2.1
357.16806	2.1
359.14880	1.9
361.12866	5.5
370.14224	7.3
371.14792	10.7
372.15607	3.4
373.16660	1.9
375.17923	1.8
385.16458	100.0
386.16785	10.2
388.15042	1.5
403.17548	38.1
403.26016	11.6
404.17819	4.1
404.26105	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1751
Annotation	Kadsuralignan A
Peak:m/z	Relative Intensity
67.05507	2.9
69.07085	1.8
69.17725	9.8
77.83172	1.1
79.05509	2.0
81.07071	1.4
83.04982	2.5
84.23790	1.1
85.06566	2.3
91.05493	3.6
93.07068	3.0
95.04961	1.3
95.08624	3.8
105.07052	2.9
117.07066	1.8
119.08561	1.7
129.06996	2.7
129.61270	1.4
130.30875	1.5
131.08511	1.9
137.05942	1.9
141.07025	1.2
143.08589	2.1
145.10118	1.3
152.06256	1.5
155.08519	1.6
157.06490	2.4
159.08073	2.7
161.09647	2.0
165.07016	2.3
167.07100	3.4
167.08504	2.0
173.05994	2.2
179.08565	3.2
181.05055	1.6
181.06511	2.3
181.08604	1.6
181.10138	2.3
182.07268	3.3
184.05237	2.3
185.05934	3.1
188.08331	4.1
189.09090	4.7
194.07236	1.5
197.05913	2.5
197.09601	3.2
198.06696	1.8
199.07564	8.2
203.10683	5.7
209.06033	1.7
209.09666	3.3
210.06789	5.1
211.03932	1.3
211.07425	2.8
212.04755	3.0
213.05469	9.6
215.03096	1.3
215.07024	2.3
222.06691	1.5
223.07439	2.7
223.11110	1.9
224.08299	2.7
225.09070	8.5
226.06261	5.4
227.03415	2.2
227.07019	14.5
228.07706	1.9
229.04945	8.6
231.06520	1.9
235.07474	2.3
235.14551	1.4
238.06195	4.0
239.07008	3.2
239.10701	1.9
240.04048	2.7
240.07797	1.6
241.04974	26.5
241.08705	2.9
242.05623	2.8
242.09439	4.0
243.06522	2.6
243.10033	2.2
244.03700	3.1
244.07333	3.9
245.13144	1.6
247.14900	1.7
249.08896	1.7
250.09889	1.8
251.10628	2.4
252.07817	3.1
253.08568	8.8
254.05812	7.7
255.06523	7.7
256.07291	20.1
257.04611	3.0
257.07996	4.5
257.11472	1.6
258.05219	2.7
259.06067	20.9
259.09265	2.4
260.06528	2.0
261.09149	1.7
262.09628	1.8
263.06918	3.6
263.14343	1.5
264.07599	1.7
266.05792	2.6
267.06583	4.3
267.10233	5.1
268.10724	1.6
269.04486	6.7
269.07956	2.9
270.05371	2.0
270.08875	5.7
271.06079	4.3
271.09674	2.5
272.06793	7.1
273.07584	8.9
277.08551	2.4
278.09399	5.5
279.10141	5.5
280.07248	3.1
281.08072	19.2
282.08777	3.2
283.06198	3.2
284.06882	9.8
284.10110	2.3
285.07669	1.4
285.11230	5.6
287.05490	23.4
287.09125	22.8
288.06247	2.8
288.09818	8.8
289.07031	4.8
293.11707	5.9
294.12411	2.1
295.09723	7.8
296.10226	3.8
297.07697	2.5
298.08289	4.0
299.06055	1.7
299.09128	6.0
299.12482	2.4
301.07352	2.4
301.10602	3.0
302.07864	38.6
303.04919	4.4
303.08447	5.7
304.09427	7.2
306.08749	3.1
307.09579	6.4
308.10196	2.1
310.12064	2.9
311.12741	3.5
313.10666	19.7
314.11258	4.1
315.08746	2.5
316.09335	2.7
317.06891	3.7
317.10168	100.0
318.10580	9.8
319.11798	16.6
321.11188	5.0
322.11804	5.1
323.09106	3.6
323.12567	2.4
325.14319	5.1
327.12225	5.4
328.12912	3.0
329.10138	2.3
330.11041	2.6
331.11658	1.7
332.08640	1.7
333.09744	14.0
338.11487	3.5
339.12317	7.1
341.10068	1.6
343.15308	3.8
345.13385	19.7
347.11136	4.1
353.13864	20.3
354.14456	9.1
355.11578	4.7
357.17084	2.7
359.15005	2.9
370.13968	5.3
371.14835	5.8
373.12729	1.6
375.18231	2.0
385.16486	63.0
385.21402	3.9
386.16766	5.3
403.17361	30.2
403.22665	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1753
Annotation	Kadsuralignan A
Peak:m/z	Relative Intensity
55.04630	4.7
67.05516	7.3
69.79661	9.7
69.80038	23.4
71.04983	4.6
71.49245	4.9
72.93976	4.0
79.05495	8.2
81.07062	9.4
85.02882	6.2
88.00714	4.6
89.37141	5.2
91.05443	6.6
93.07060	11.3
93.89574	4.3
95.08621	8.1
97.02883	6.4
97.06538	7.3
98.22655	5.9
99.04427	7.2
105.07042	13.5
107.08577	6.7
109.10197	5.4
121.02880	6.5
121.06541	6.0
123.04452	9.9
123.08002	4.9
126.06485	5.4
129.53355	4.6
133.10127	23.9
134.72894	4.2
137.09669	8.0
143.08574	5.0
151.74576	5.4
157.07637	10.5
158.05966	4.9
161.05994	10.9
161.09602	16.9
163.11110	6.6
171.08162	6.5
179.10690	8.6
182.07220	11.6
185.98822	5.4
188.08360	6.5
189.09081	12.0
194.83984	4.9
198.06761	7.0
199.07591	10.5
203.10757	6.4
207.10188	6.3
210.06758	12.5
211.07501	8.0
213.05559	6.2
225.09114	18.2
225.11246	12.0
226.06288	11.1
227.06995	24.1
229.04826	6.0
235.07616	8.1
238.06224	13.7
241.04985	17.7
241.08473	5.0
242.09381	7.5
244.03734	6.8
244.07358	6.1
252.07797	9.1
253.05054	6.5
253.08606	28.7
254.05739	10.3
255.06583	20.8
256.07315	15.7
257.04474	6.1
259.05933	12.0
263.07123	9.8
267.06479	8.2
267.10217	11.3
270.05429	6.5
270.08966	13.2
271.05957	7.4
272.06830	15.4
273.07578	17.0
279.10114	8.7
280.07361	5.0
281.08051	44.3
282.08734	9.5
283.06116	5.9
284.06882	8.3
284.10077	6.0
285.07648	6.5
285.11212	6.0
287.05533	40.3
287.09122	33.3
288.06161	8.4
288.09842	10.7
293.11743	10.9
295.09683	21.1
296.10364	9.0
298.08347	14.5
299.08997	9.7
300.09616	5.5
302.07791	31.3
303.08600	8.3
307.09647	13.8
311.12738	9.5
313.10629	39.8
314.11365	12.6
315.08759	12.9
316.09305	8.1
317.10165	100.0
318.10605	7.0
319.11700	14.3
321.11292	14.6
322.11954	8.0
325.14264	7.7
327.12299	15.5
330.11270	6.9
339.12262	13.5
345.13373	67.6
347.11212	21.0
353.13730	26.9
354.14673	13.1
355.15338	5.6
359.14975	13.8
361.13129	6.7
370.14212	8.8
371.14935	12.5
375.17990	7.0
385.16443	83.4
386.17010	9.6
403.17715	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1753
Annotation	Denudanolide D
Peak:m/z	Relative Intensity
55.01857	3.0
55.05516	3.0
65.03930	2.8
67.05472	2.6
69.05620	10.9
69.06038	6.2
69.07061	2.7
71.04984	1.9
79.05465	2.4
91.05489	7.1
93.07057	2.7
95.04964	3.5
99.08110	5.3
103.05470	2.8
110.85359	2.0
111.08088	7.0
121.06505	7.0
123.04420	4.4
128.06239	3.3
129.07007	9.8
131.08571	2.7
133.06520	2.8
137.02377	2.5
137.05980	4.6
146.07246	2.0
155.07062	3.7
157.06471	5.2
158.07271	4.8
159.08041	4.7
161.09650	20.9
166.06216	2.4
167.07045	22.1
168.04187	3.1
169.04936	6.3
171.07999	2.9
173.06084	2.3
173.09601	5.6
174.06764	7.2
175.07402	3.4
177.05548	5.1
181.08588	12.6
183.06523	32.7
183.08008	3.5
187.07559	6.1
189.09122	45.1
197.06129	2.5
197.09676	2.7
201.05524	2.4
201.09079	14.2
202.09828	4.6
206.05646	4.5
208.08781	2.5
209.08023	4.5
211.07605	2.7
213.05379	2.4
215.03336	4.0
219.06287	2.7
219.10031	5.5
220.07335	2.5
221.08087	10.5
221.11690	31.4
223.11139	3.7
225.05827	2.2
225.09097	2.4
226.06238	6.0
227.07033	4.7
228.04169	2.4
229.04927	7.3
232.03627	2.1
233.11690	10.3
234.12418	9.4
235.07599	3.4
235.09662	22.2
237.09105	3.8
241.04865	2.2
242.05708	4.2
243.03015	2.6
243.06558	2.8
245.04420	3.4
249.07603	3.3
249.11244	5.8
251.10571	2.7
253.08643	6.1
254.05765	5.6
255.06398	4.3
256.07114	2.4
257.04462	19.7
258.05225	4.3
259.05820	3.6
260.03140	6.0
263.07004	3.8
264.07849	6.2
265.08548	4.6
267.10016	3.0
269.08008	5.0
270.05136	2.8
271.05963	4.7
272.06839	14.9
273.03964	4.8
273.07523	7.1
275.05499	7.0
278.09302	4.4
279.10187	11.9
281.08194	10.7
282.08575	2.4
283.06180	4.1
283.13171	4.2
285.04022	9.7
285.07483	6.5
286.08493	3.5
287.05508	11.9
287.09140	42.0
287.12341	3.7
288.02621	6.0
288.05811	2.7
288.09424	2.6
289.07025	11.1
291.06232	2.7
293.07938	2.3
293.11719	2.8
295.09616	3.5
296.10391	2.4
299.09061	4.2
300.06189	7.6
301.06931	10.8
301.10474	5.1
303.05008	46.2
303.08163	2.0
304.05563	3.0
307.09601	25.8
308.10251	3.8
309.07446	6.4
309.10806	2.8
311.12762	9.7
313.10614	9.4
315.08591	9.2
316.09064	2.9
317.06589	7.1
317.10129	6.0
318.07260	13.4
321.11264	5.0
324.09485	4.7
325.10501	3.9
326.07764	2.5
327.12280	3.0
328.13025	4.2
329.10107	4.0
329.13525	3.0
331.08234	3.2
333.09695	100.0
334.10132	9.3
339.12253	29.7
340.12744	5.5
343.11658	2.4
343.15405	6.4
346.10666	2.4
347.11398	4.0
353.14102	4.6
354.14319	4.0
361.12820	8.3
371.14841	19.7
372.15259	3.1
375.18005	5.2
376.18713	2.6
385.16217	3.9
403.17487	78.5
403.22226	5.4
404.17715	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.175
Annotation	Denudanolide D
Peak:m/z	Relative Intensity
52.31633	0.7
68.33344	0.9
75.04479	0.9
80.12966	0.8
81.07073	1.3
90.02821	0.9
90.39223	1.0
98.27039	1.0
145.06598	1.1
153.07118	0.8
155.01862	0.9
157.06406	1.4
165.06996	1.7
167.07091	2.0
169.06491	0.9
171.08072	1.0
178.07813	1.0
179.08574	1.1
181.06561	2.0
181.08600	3.8
183.07982	1.7
185.09732	1.0
186.06708	1.3
189.07016	0.9
190.07770	0.8
191.08553	0.9
194.07428	1.7
195.08025	1.8
196.05260	1.0
196.08838	1.6
197.05965	1.6
198.06709	1.3
199.07649	1.6
201.09210	1.0
206.07307	1.3
207.08043	3.2
208.08830	1.3
209.06137	1.2
209.09575	2.2
210.06705	1.6
211.07571	4.5
212.04733	0.9
212.08264	1.8
213.05450	1.6
213.08972	1.8
214.06207	5.3
218.07405	0.9
219.08060	2.1
220.08792	1.4
221.06015	2.4
221.09613	2.0
222.06743	2.8
223.03954	1.2
223.07503	3.4
224.08215	4.4
225.05536	2.1
225.09003	2.0
226.06274	3.0
226.09886	1.3
227.07025	5.3
228.07663	1.1
229.05052	1.1
229.08557	2.5
232.08804	0.9
233.09624	2.6
234.06912	2.4
234.10411	1.4
235.07547	7.2
236.08325	2.6
237.05463	3.6
237.09116	7.7
238.06313	2.1
238.09720	2.2
239.07082	4.8
239.10719	3.3
240.07716	4.0
241.05011	2.3
241.08556	5.2
242.05751	4.6
243.06461	3.7
247.07477	2.4
247.11217	1.0
248.08342	1.8
249.05643	1.0
249.09105	4.1
249.14891	1.2
250.06223	2.2
250.09879	5.4
251.06950	5.0
251.10757	1.8
252.07904	6.8
253.04988	2.0
253.08516	5.9
254.05511	1.0
254.09314	4.2
255.06488	3.2
255.10143	3.4
256.07114	4.0
256.10873	1.6
257.04657	1.3
257.08096	16.8
260.08279	1.1
261.09164	3.8
262.06476	1.5
262.09805	2.0
263.07056	9.0
263.10699	1.4
264.07712	5.1
265.08588	7.8
265.12143	1.6
266.06110	1.5
266.09354	3.7
266.12512	1.0
267.06711	7.6
267.10123	11.4
268.07272	2.5
268.10422	1.4
269.04825	1.6
269.08087	6.0
269.11639	3.2
270.05295	3.4
270.08694	1.7
271.05975	2.5
271.09549	2.9
272.06796	2.7
273.07605	1.1
275.06961	1.7
276.07629	0.9
277.08582	6.7
278.09390	13.7
279.06873	2.0
279.10117	8.1
280.07306	6.3
280.10345	1.7
281.04956	1.3
281.08063	10.0
281.11325	1.5
282.05374	2.0
282.08792	6.0
283.06461	1.6
283.09692	2.8
284.06976	1.5
284.10422	4.0
285.07593	33.6
285.10815	2.4
286.08356	7.7
287.06171	1.2
287.09100	4.6
289.08539	1.9
291.06561	2.9
291.10107	1.7
292.07239	1.9
292.10858	2.9
293.08408	1.6
293.11624	13.2
294.08884	1.7
294.12225	2.1
295.09671	18.2
295.12991	2.2
296.10239	5.3
297.07559	9.7
297.11200	11.5
298.04782	1.2
298.08179	2.3
298.11917	2.0
299.09103	3.7
299.12711	2.3
300.09940	40.8
301.07150	1.7
301.10461	9.3
302.07803	1.2
302.11292	1.4
303.08472	1.4
305.08032	3.2
305.15152	1.5
306.08798	8.2
307.09641	12.0
308.06726	1.4
308.10074	1.7
309.07715	1.2
309.11237	3.0
310.12137	2.1
311.09103	3.8
311.12695	2.4
312.09912	3.7
313.07028	13.0
313.10669	3.9
314.07715	1.5
314.11484	2.4
315.08633	5.8
315.12177	29.7
316.09164	2.1
316.12540	1.9
317.10306	4.1
320.10306	1.5
321.11206	38.3
322.11929	6.0
323.09192	14.4
323.12698	3.1
324.09763	2.7
325.10849	1.4
325.14331	3.9
327.12241	17.1
328.09439	12.6
328.12994	2.4
329.10117	7.7
329.13828	11.4
330.10834	3.0
330.14371	1.9
331.08298	1.5
331.11618	2.1
337.10611	1.3
338.11469	11.7
339.12253	13.4
340.12796	1.8
340.16547	1.0
341.10220	1.2
343.11771	100.0
344.12256	13.7
345.13425	1.6
353.13849	41.2
354.14426	11.9
355.11743	4.1
355.15479	3.6
357.17068	3.0
359.14880	15.4
361.12811	5.0
370.14053	2.9
371.14792	3.3
385.16467	33.5
386.16785	3.3
388.16003	1.5
403.17532	22.5
404.17807	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2112
Annotation	Gomisin K3
Peak:m/z	Relative Intensity
55.05504	2.5
67.89677	0.7
71.09966	0.7
83.08598	1.1
115.80276	0.6
126.10888	0.8
133.40495	0.7
137.05933	0.8
145.06493	0.8
153.05478	0.8
153.06989	1.0
165.09340	1.0
167.07048	2.9
169.06444	1.2
171.04413	0.7
171.08080	1.1
173.05986	1.0
181.06502	1.7
181.08607	4.5
182.07323	1.3
183.04379	1.3
183.08060	1.4
184.05167	1.7
185.06013	1.3
187.07579	1.8
188.08345	1.3
189.09042	1.6
195.08063	1.3
196.05096	1.0
197.06027	4.4
198.06844	4.2
199.07535	10.4
200.07988	0.8
201.05453	0.9
201.09126	0.8
210.06760	2.2
211.03966	0.7
211.07533	3.4
212.04726	1.9
212.08263	2.0
213.05482	3.5
213.09064	5.9
214.06265	2.1
215.06992	3.9
219.10155	0.9
221.09615	1.1
221.11656	1.0
223.07463	1.2
225.05402	3.7
225.09143	1.8
226.06265	3.7
227.07036	36.6
228.04318	0.8
228.07732	8.6
229.04991	1.0
229.08598	3.9
230.05539	0.7
233.09447	1.0
235.13347	0.9
238.09900	0.9
239.07001	4.1
240.07770	5.0
241.05052	1.9
241.08569	16.5
242.05626	1.9
242.09352	13.4
243.06526	9.7
243.10117	3.1
244.07245	4.8
245.08040	1.4
245.11693	0.9
249.09125	1.1
251.06996	1.6
251.10667	0.8
252.07854	1.1
253.04968	1.4
253.08562	1.8
253.12166	1.0
254.05772	2.4
254.09322	1.1
255.06496	5.9
255.10086	3.7
256.07346	8.0
256.10083	1.2
257.04410	1.6
257.08090	7.9
257.11551	0.9
258.08795	7.3
259.09637	5.3
264.11340	0.8
265.12357	1.4
266.09381	1.2
267.06546	2.1
267.09985	1.6
268.07285	4.2
269.08066	14.6
269.11203	1.3
270.08823	10.0
271.06073	9.0
271.09653	28.9
272.06763	5.8
272.10025	4.1
273.07867	1.7
273.11230	9.8
275.09225	1.7
278.09357	1.0
279.10144	0.9
279.13745	0.8
280.14267	0.9
281.08331	1.0
281.11752	2.0
282.09033	1.2
282.12476	0.9
283.06744	0.7
283.09689	4.7
283.12756	1.3
284.07443	1.2
284.10431	6.5
285.07620	4.3
285.11240	3.4
285.14520	0.9
286.08350	15.4
286.11603	1.8
287.09125	45.2
288.09634	3.8
293.11789	2.1
295.09674	1.4
296.14276	1.1
297.11401	0.9
297.14874	2.6
298.12085	1.8
299.09399	3.6
299.12469	1.6
300.10037	1.9
301.07547	1.4
301.10690	38.8
302.11465	61.7
303.08566	3.4
303.11993	5.6
309.11105	2.5
309.14618	1.4
310.11890	2.4
310.15591	1.3
311.12775	1.5
311.16080	0.9
313.10678	2.1
313.14301	2.6
314.11411	1.1
315.12213	5.6
317.10120	1.2
318.10983	1.5
320.12549	0.7
321.13358	1.1
323.12708	0.8
324.13486	1.0
325.14343	32.2
326.14746	4.0
327.12207	1.6
329.13828	1.5
331.11819	5.2
333.13327	28.1
334.13818	1.5
339.15851	3.0
340.16678	82.1
341.13660	5.0
341.17242	6.3
342.14322	1.5
343.19040	1.4
356.16119	3.9
357.16977	2.4
371.18515	51.8
372.19159	9.2
373.16394	1.5
388.18796	17.8
389.19141	0.9
403.21158	100.0
404.21527	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08962	1.1
53.03946	2.3
54.62567	1.2
55.05512	3.5
57.07071	2.1
67.05500	4.6
68.55770	1.2
68.99784	2.5
69.07053	2.4
69.21236	7.8
73.29917	1.2
77.95566	1.2
79.05489	4.9
81.07064	5.8
83.08607	2.7
91.05485	7.8
93.07033	11.6
95.08601	13.9
105.07043	8.5
107.08593	10.2
109.10142	7.2
117.07041	1.2
119.08580	9.3
119.30453	1.2
121.10134	15.2
123.11710	2.5
129.01837	9.6
131.08553	3.6
133.10124	5.8
135.11673	3.0
137.06071	1.5
137.13263	3.6
139.00238	2.0
145.10127	4.4
147.11694	4.9
149.09637	2.6
149.13295	2.1
152.08794	1.4
155.08600	1.7
157.01340	3.4
157.10135	1.7
157.27402	1.4
159.11685	2.3
161.13261	4.3
167.07030	4.2
169.10095	1.4
171.11607	1.6
173.13266	1.7
175.14842	4.2
181.04961	1.4
181.06465	1.4
181.08630	4.2
185.08078	3.3
185.09625	1.3
187.07613	1.5
187.14859	1.9
189.09152	3.0
197.06000	3.0
198.06772	2.5
199.07498	7.9
201.16426	2.8
203.10635	1.1
209.13228	1.4
210.06732	2.1
211.07611	3.8
212.08382	2.1
213.05470	3.4
213.09167	4.0
215.07047	3.2
217.15721	1.2
219.17455	1.4
221.11674	1.6
221.15396	1.5
225.05482	2.4
226.06262	3.8
227.07031	31.2
227.09235	1.9
228.07777	6.4
229.08522	3.7
233.11732	2.4
239.07034	3.8
239.10577	1.4
240.07863	4.1
241.08542	14.1
242.05759	1.5
242.09349	14.9
243.06531	8.3
243.10078	3.5
244.07368	4.4
245.07982	2.4
245.11833	1.3
249.16196	1.3
251.07205	1.4
254.05768	2.4
255.06499	7.3
255.10156	3.2
255.21172	1.8
256.07352	4.5
256.10852	1.7
257.08121	5.9
258.08847	6.3
259.09592	2.9
265.12296	2.0
267.06323	1.5
267.10193	1.3
268.07245	3.8
269.08072	10.5
269.15359	1.6
270.08829	9.6
271.06082	6.6
271.09628	22.3
272.06769	5.3
272.10034	3.1
273.07761	2.2
273.11227	9.2
275.09131	1.9
279.10162	1.8
281.08401	1.4
281.11807	2.1
282.12173	1.4
283.09647	3.2
284.10526	6.5
285.07632	3.0
285.11084	3.3
286.08408	14.1
287.09140	39.2
287.12332	2.8
288.09641	4.3
293.11676	2.4
295.09686	1.7
297.11163	2.1
297.14603	2.1
299.09030	2.7
300.10016	2.4
301.07318	1.5
301.10696	36.2
302.11459	62.9
303.08545	3.5
303.12048	5.2
311.12592	1.6
313.10666	2.2
313.14236	2.7
314.11435	2.2
315.12103	6.9
317.10239	2.3
318.10889	1.6
325.14331	25.9
326.14883	2.0
327.12296	3.0
329.13724	1.4
331.11661	6.6
332.12363	1.7
333.13330	25.9
334.13541	2.0
339.15753	3.3
340.16681	78.0
341.13611	5.5
341.17181	7.9
356.16205	4.4
357.16855	2.6
371.18506	48.6
372.19034	9.7
373.16379	2.6
385.16217	1.5
388.18866	16.6
402.39514	3.9
403.21115	100.0
403.25681	5.8
403.39737	3.5
404.21301	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.4
55.05505	7.2
57.07071	2.2
57.66887	1.3
60.01691	1.5
67.05502	10.0
67.24838	1.2
69.03432	2.8
69.07074	3.4
69.54108	6.1
79.05497	4.0
81.07059	5.8
83.04979	8.3
83.08619	2.9
91.05492	10.4
93.07053	8.9
95.04961	3.5
95.08602	18.0
97.06503	1.7
104.92487	1.4
105.07027	10.4
107.08604	6.5
107.87290	1.5
109.06534	3.1
109.10149	3.0
111.04428	2.8
111.08080	4.8
115.05406	2.1
115.39212	1.4
116.06197	1.5
117.07020	3.3
119.08578	9.9
121.06473	2.6
121.10146	4.1
123.08097	3.9
128.06194	3.1
129.07007	3.4
131.08566	17.3
133.10135	6.0
135.07986	1.8
135.11771	1.7
137.05974	2.3
139.07538	3.6
141.07010	4.4
142.07835	1.9
143.08543	7.5
144.09354	2.9
145.06458	2.2
145.10152	5.1
147.08115	1.8
147.11676	3.0
151.07465	2.1
153.07024	2.8
154.07776	2.4
155.08540	8.5
156.09323	2.3
157.06522	2.9
157.10104	5.8
159.08047	26.5
159.11710	5.3
160.08711	1.6
161.09604	4.5
165.06993	3.5
167.07069	3.3
167.08554	3.5
169.06438	2.0
169.10130	4.9
171.11729	1.9
173.09598	7.0
175.11221	2.5
178.07794	4.9
179.08583	3.8
181.06512	2.9
181.08600	3.7
181.10117	5.7
183.08011	3.2
183.11726	3.0
184.05237	1.6
185.09595	3.4
187.11163	5.6
191.08572	2.3
192.09331	4.5
193.10130	8.4
194.10843	3.1
195.08031	2.6
195.11710	4.7
197.05984	4.3
197.09637	5.7
198.06769	3.9
199.07542	9.5
199.11201	6.2
203.08665	2.0
204.09335	2.2
205.10197	8.2
205.11958	1.8
206.10898	7.4
207.11684	15.6
208.12247	2.2
209.09645	6.3
209.13266	4.9
210.06712	2.3
210.10071	2.1
211.07527	4.6
211.11188	23.4
211.14749	2.0
212.04613	2.1
212.08128	1.8
213.05508	4.9
213.09123	6.2
214.06190	2.4
215.06876	3.2
215.08751	2.6
215.10771	1.6
217.10133	3.9
218.10895	4.3
219.11703	11.9
220.12431	6.6
221.13200	7.9
223.07692	2.0
223.11180	12.1
223.14735	1.7
225.05444	2.9
225.12733	8.7
226.06189	5.6
227.07013	36.9
228.07576	6.7
229.04880	2.1
229.08371	2.3
229.10327	3.2
230.10896	6.0
231.11664	4.0
232.12483	6.2
233.13249	13.9
234.14005	2.4
235.11124	5.1
235.14812	6.1
237.12778	8.7
238.05919	2.3
239.07062	3.7
240.07796	6.6
241.08536	14.0
242.05632	1.7
242.09206	11.7
243.06543	9.8
243.11830	2.9
244.07239	4.6
244.12506	3.9
245.13278	6.4
246.14000	4.7
247.11157	5.9
247.14803	8.3
248.15565	2.3
249.12755	7.8
249.16560	2.5
251.14388	2.5
253.04793	2.6
254.05661	2.1
255.06589	7.5
255.10083	3.2
256.07419	9.4
256.12698	2.0
257.04803	1.5
257.08102	8.9
257.13385	2.6
258.08780	7.6
258.14053	2.4
259.09586	5.9
260.11963	1.9
261.12738	11.1
261.16403	4.5
262.13449	3.0
262.17377	2.0
263.14310	35.5
263.17877	5.1
264.14703	4.3
265.12357	2.3
265.15872	7.2
266.09161	2.1
267.10016	2.2
268.07239	3.5
269.08090	16.0
270.08865	10.8
270.13776	1.9
271.05984	10.5
271.09616	23.9
271.14749	4.9
272.06708	6.0
272.10278	5.5
273.07520	2.6
273.11206	8.7
273.16226	2.7
274.13516	5.1
275.09418	1.8
275.14310	16.0
275.17630	2.4
276.14972	2.8
277.15811	8.0
277.19321	1.4
281.07983	1.7
281.11401	1.9
282.08728	1.8
283.09570	5.6
284.10416	5.4
285.07510	4.6
285.16425	1.8
286.08395	11.8
287.09128	41.5
287.14325	3.8
288.09497	5.0
288.14685	1.8
289.15851	37.4
289.19086	1.5
290.16263	3.1
291.17511	11.9
293.18860	8.3
298.11853	1.9
299.09128	4.1
299.14224	1.7
301.07281	3.3
301.10690	38.6
301.15915	5.6
301.19220	1.7
302.11426	58.4
303.08691	3.0
303.12134	4.1
303.17502	12.7
304.18213	13.5
304.21594	2.0
305.18805	4.3
313.10721	1.7
313.14822	1.7
315.12323	4.5
315.17410	3.2
325.14276	32.9
326.14725	4.5
327.12381	3.1
327.17059	1.9
329.15320	2.7
329.18964	5.1
331.11792	6.7
333.13306	25.8
339.15906	3.5
340.16681	78.6
341.13702	5.6
341.17319	7.5
342.14310	1.9
356.15948	2.3
357.17700	2.3
357.21970	10.1
367.20599	5.0
371.18506	45.0
372.19138	13.1
373.16315	1.7
385.21683	32.2
386.21912	3.3
388.18692	16.2
389.19363	2.3
402.39270	2.0
403.21463	100.0
403.26465	16.2
404.22101	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2116
Annotation	Gomisin K3
Peak:m/z	Relative Intensity
55.05518	1.8
67.05487	1.5
79.05536	1.5
83.08659	2.4
98.23402	2.4
108.65783	1.4
110.57860	1.5
119.08599	1.6
129.01874	2.1
161.09641	1.6
167.07057	2.5
171.08017	1.5
173.06079	1.4
181.08588	4.7
183.08089	1.9
187.07462	1.7
198.06815	4.9
199.07549	8.1
210.06705	2.0
211.07529	5.2
212.08282	2.2
213.05595	1.9
213.09106	3.1
215.07054	3.5
225.05513	3.4
225.09105	2.4
226.06297	2.7
227.07019	38.8
228.07765	9.7
229.08621	2.4
239.07143	2.8
239.10753	1.7
240.07843	3.5
241.04941	1.7
241.08696	14.5
242.09373	15.6
243.06577	11.6
244.07204	3.9
251.07225	1.9
254.05803	2.9
255.06567	6.4
255.10178	3.6
256.07275	7.5
257.08038	7.7
258.08942	6.4
259.09634	5.5
268.07306	5.8
269.08008	14.5
270.08923	12.1
271.06168	6.3
271.09689	22.3
272.06845	5.6
272.10315	5.0
273.07867	2.5
273.11246	9.2
275.09119	2.7
279.10349	1.5
281.11542	3.1
282.08920	1.9
283.09579	4.1
284.10461	5.9
285.07587	5.3
285.11142	3.0
286.08356	17.8
287.09143	42.8
288.09677	4.0
293.11688	3.0
297.11157	1.6
297.14877	3.4
299.09207	2.4
299.12396	1.7
300.09857	4.6
301.07269	2.9
301.10666	39.0
302.11472	60.0
303.08713	3.5
303.11923	5.8
309.11340	1.8
313.14410	2.5
315.12274	4.6
318.11066	2.3
321.13275	2.2
325.14362	31.9
326.14883	4.1
327.15799	1.5
331.11728	4.9
333.13333	29.3
334.13513	2.0
339.15967	2.6
340.16714	82.1
341.13818	6.0
341.17392	7.2
356.16293	5.8
357.16852	2.2
359.14297	1.8
371.18539	54.7
372.19189	12.9
388.18787	21.1
403.21182	100.0
404.21655	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.212
Annotation	Gomisin K3
Peak:m/z	Relative Intensity
55.05467	1.8
67.05465	1.2
68.99745	0.7
69.07025	1.0
70.48229	1.5
70.48606	1.3
75.04439	0.9
77.18340	0.6
79.05447	1.0
81.07012	1.4
83.08572	1.6
91.05452	1.6
93.06998	1.4
95.08577	1.5
105.06982	1.1
107.08558	1.4
109.06479	0.9
121.10142	0.7
123.04339	0.7
123.08038	0.7
129.01846	4.8
133.10011	0.9
137.05928	1.7
139.07487	0.7
141.06850	0.8
143.08505	0.9
151.07520	0.8
152.06123	0.6
155.06990	0.9
155.08415	0.6
157.01277	1.1
165.92406	0.7
167.06982	2.8
168.05690	0.7
169.06505	1.5
170.07213	0.9
175.07498	0.7
176.65054	0.6
181.06516	1.0
181.08548	3.8
182.07167	1.5
183.08025	1.5
184.05135	1.8
185.06042	1.3
185.08073	1.4
187.07471	1.6
189.09036	1.9
193.10123	0.8
195.08136	1.4
195.09961	0.7
196.05107	0.7
197.06012	3.7
198.06697	3.5
199.07567	10.8
200.08202	0.7
201.05479	0.7
201.09109	1.1
203.06921	0.8
205.08543	1.0
209.09512	0.7
210.06705	2.1
211.07463	5.2
212.04623	1.2
212.08253	1.7
213.05405	2.7
213.09131	5.6
214.06244	1.2
215.06985	5.0
219.10139	0.8
221.11638	0.8
223.07372	0.9
224.08479	0.8
225.05403	2.6
225.09082	1.8
226.06271	4.2
226.09877	1.1
227.07028	40.2
227.10500	1.6
228.07753	8.4
229.04875	2.4
229.08577	3.3
229.10583	0.6
230.05704	0.8
230.09207	0.8
231.10144	0.7
232.17101	0.6
235.07518	0.8
235.13228	1.5
239.07021	3.5
239.10587	1.6
240.07823	4.2
241.04898	2.1
241.08571	14.7
242.05586	1.6
242.09380	14.6
243.06570	10.4
243.10069	4.0
244.07346	4.5
244.10669	0.7
245.07990	1.2
249.08997	0.8
250.09964	0.7
251.07024	1.2
251.10760	1.0
252.07841	0.8
253.05022	1.8
253.08572	2.4
253.12196	0.9
254.05713	2.6
254.09280	1.4
254.13083	1.3
255.06514	6.3
255.10194	5.2
256.07257	7.0
256.10797	1.4
257.04385	0.9
257.05234	0.9
257.08090	9.1
257.11041	1.0
258.08875	7.8
259.05923	0.8
259.06894	0.8
259.09552	5.6
263.10800	0.9
265.08542	1.6
265.12259	1.4
266.09396	0.8
267.06494	2.3
267.10013	2.1
268.07294	4.7
269.08109	13.5
269.11081	1.3
270.08847	11.5
271.05997	8.4
271.09607	23.3
272.06732	6.2
272.10214	3.1
273.07526	2.0
273.11191	12.5
274.08258	1.1
275.09036	1.5
277.08514	1.1
278.09177	1.1
279.10086	1.2
281.08588	1.0
281.11685	2.9
282.08963	1.4
282.12396	1.3
283.06760	0.8
283.09601	4.3
283.12732	1.0
284.10455	7.6
285.07614	4.1
285.11133	3.3
285.14658	1.4
286.08368	17.2
286.11584	1.7
287.09143	42.7
288.09561	3.9
293.11722	2.1
294.12457	0.8
295.09567	1.3
295.13092	1.1
296.10474	1.1
297.11115	1.9
297.14801	4.0
298.08646	1.0
298.11990	2.0
299.09103	3.5
299.12488	1.2
300.09998	3.4
300.12985	0.8
301.07581	1.7
301.10696	43.4
302.11472	66.9
303.08603	3.1
303.11951	5.9
308.13956	1.0
309.11133	2.4
309.14810	1.6
310.12018	1.7
310.15430	0.8
311.09256	0.9
311.12662	2.3
311.16034	0.9
313.10635	2.2
313.14362	3.5
315.12259	5.3
317.10373	1.3
318.10794	2.0
321.13489	0.9
324.13559	1.5
325.14352	30.6
326.11255	0.9
326.14700	2.8
327.12292	2.2
327.15741	0.8
328.12848	1.4
328.16434	1.1
329.13861	1.9
329.17456	0.8
331.11819	5.4
331.57388	0.7
332.12485	1.2
333.13327	28.2
334.13544	1.8
339.15802	2.2
340.16690	83.8
341.13748	7.7
341.17184	7.8
342.14474	1.3
343.19086	2.1
355.15152	0.9
356.16125	5.9
357.16864	1.8
371.18530	55.7
372.19180	13.2
373.16208	1.2
388.18768	21.0
389.19226	1.7
402.39505	1.5
403.21158	100.0
404.21475	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.22596	0.9
59.04989	1.1
62.97025	0.8
65.03944	1.3
69.07072	1.6
69.09563	0.9
69.40953	3.6
69.41364	1.7
77.03918	1.2
78.04713	1.4
79.05502	3.5
83.04981	0.8
84.07674	0.7
90.71518	0.8
91.05466	8.1
93.03390	0.9
94.04227	1.1
95.04965	2.6
96.05760	0.9
99.77757	0.8
105.07008	1.7
106.04181	1.0
106.62173	0.7
107.04967	6.5
108.05751	4.7
108.24906	0.8
109.06510	2.4
115.05424	1.8
117.06985	1.4
119.04965	1.2
120.05732	0.9
121.06482	5.6
122.03632	2.1
123.04450	1.4
124.05248	5.0
125.05992	1.3
132.05733	1.3
133.02849	1.3
133.06461	1.6
135.04413	4.1
135.08070	2.1
136.05223	7.7
137.05991	3.6
138.06758	10.2
139.03938	1.7
139.07544	17.8
143.08626	1.1
146.07260	0.8
147.04454	2.2
147.08052	3.3
148.05159	7.2
148.08846	1.4
149.05949	2.9
150.06760	2.0
151.07539	100.0
152.04597	2.5
152.07866	3.7
153.05440	1.6
154.06245	8.2
155.07072	1.1
159.08054	2.5
160.08855	2.6
161.05972	1.3
162.06750	3.3
163.07562	3.1
164.08382	5.0
165.05470	39.6
165.09122	10.5
166.06264	13.0
167.07045	9.7
168.07741	1.7
169.08589	14.2
171.08099	2.5
172.08810	1.6
173.09576	1.7
176.08334	6.5
177.09123	2.9
178.09860	4.5
179.06995	3.1
179.10666	18.4
179.12112	1.3
180.07741	4.3
181.08595	75.1
182.08983	1.7
186.10356	6.9
187.07553	5.5
187.55627	0.8
189.09120	1.2
191.10692	5.7
193.08612	1.6
194.09375	6.4
195.06552	13.4
195.10141	22.6
197.08092	8.6
201.09126	2.4
202.09883	16.9
203.10405	2.4
205.12248	0.8
206.09201	1.2
209.09781	0.5
209.11722	18.1
216.11485	6.6
217.12236	39.4
218.12625	3.1
221.11591	1.2
225.11057	1.3
232.10857	1.2
235.13275	36.6
236.13644	2.4
237.14828	2.3
247.13342	5.8
265.11465	1.4
265.14346	25.4
266.14618	2.1
346.03363	0.8
371.18228	1.5
385.20367	3.7
385.75397	0.9
391.72830	0.9
392.29602	0.8
403.20380	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2115
Annotation	Gomisin K3
Peak:m/z	Relative Intensity
52.84271	1.1
55.05517	1.6
67.62918	1.1
69.07078	1.2
69.20309	9.0
76.55447	1.0
91.05477	1.5
95.08628	1.4
98.22614	2.0
107.04985	1.1
123.07971	1.1
137.05974	3.1
151.07542	1.4
159.08051	2.8
167.07080	3.2
169.06480	1.7
175.07555	1.4
179.08578	1.4
181.06561	1.3
181.08611	6.6
184.72430	1.1
185.05969	1.4
187.07588	2.4
188.08313	1.5
189.09111	1.8
191.06863	1.4
197.06044	3.9
198.06833	2.7
199.07594	6.0
201.09016	1.4
203.10672	1.4
204.11392	2.6
205.08641	1.5
210.06790	2.2
211.07558	2.9
212.08315	1.7
213.05513	2.7
213.09105	4.5
215.07077	2.9
218.09428	2.9
219.10147	4.4
221.11823	1.4
225.05515	2.7
225.09219	1.3
226.06256	3.6
227.07028	26.9
228.07758	5.2
229.05089	1.8
229.08659	3.1
231.10297	1.5
233.11714	7.6
234.12433	7.8
235.13332	4.5
238.06247	1.4
239.07019	3.2
240.07771	4.8
241.08533	10.9
242.05829	1.8
242.09389	12.6
243.06502	13.1
243.10106	2.7
244.07301	3.9
249.09135	1.6
253.08595	1.5
254.05852	1.5
254.09351	1.3
255.06606	6.6
255.10167	4.1
256.07233	7.5
257.04691	1.7
257.08118	7.0
258.08932	10.3
259.09503	7.5
265.12302	1.5
266.09482	1.6
267.06616	1.8
267.10098	1.7
268.07349	2.8
269.08124	7.2
270.08853	15.1
271.06088	9.5
271.09659	23.5
272.06747	4.5
272.10303	3.6
273.08163	1.9
273.11172	11.5
275.09406	2.4
281.11667	3.2
283.09689	4.1
284.10559	6.0
285.07571	3.2
285.11209	3.1
286.08356	10.7
287.09137	32.1
287.12378	1.6
288.09711	3.5
293.11569	2.2
295.09814	1.5
297.11234	1.9
297.14746	2.0
298.11871	2.2
299.09183	2.8
299.12717	1.5
300.09882	2.1
301.07224	2.8
301.10690	49.9
302.11469	68.4
303.08609	5.7
303.12085	8.7
309.11118	1.9
315.12289	4.8
317.09915	1.4
318.10971	1.5
325.14282	7.6
327.12485	1.6
328.16644	1.4
329.13861	1.6
329.17499	1.5
331.11774	5.0
333.13312	31.8
334.13638	2.1
339.15854	3.4
340.16730	20.7
341.13629	5.4
341.17319	2.4
343.18976	2.1
356.16135	3.1
357.16479	2.0
371.18552	29.2
372.19089	11.2
388.18781	18.4
389.19113	2.2
403.21140	100.0
404.21524	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
53.03944	3.5
55.01866	0.4
55.05513	2.0
57.07062	1.3
59.04985	0.6
59.95301	0.4
65.03938	0.9
66.04728	0.5
67.05501	2.3
69.07057	1.7
70.06577	2.4
71.08611	0.6
77.03929	0.7
78.04687	0.6
79.05495	7.3
81.03405	0.5
81.07055	3.2
83.04968	1.7
83.08620	0.5
88.07624	3.6
91.05476	4.0
93.03372	0.4
93.07032	2.3
94.04163	0.9
95.04969	3.4
95.08057	0.5
95.08598	3.1
97.06548	0.4
98.22636	1.1
102.09170	1.6
103.05483	2.0
105.03363	0.8
105.04485	0.9
105.07036	4.8
106.85836	0.4
107.04269	0.8
107.04948	8.7
107.05616	0.8
107.08580	1.4
108.05775	0.9
109.06521	1.6
109.10116	0.9
111.04435	1.2
111.08090	0.7
115.05440	0.8
117.07029	2.6
119.04912	0.5
119.08582	1.8
120.02092	1.1
120.05712	0.7
121.06497	4.3
121.10136	1.0
122.03645	1.6
123.04454	0.8
123.08060	1.6
124.05206	0.5
125.05989	1.7
128.06219	0.7
129.06981	1.5
130.07803	1.6
131.04919	1.7
131.08571	0.8
132.85181	0.4
133.06483	1.0
133.10107	1.3
134.07318	0.4
135.04430	2.1
135.08040	4.7
135.11632	0.5
136.05206	4.4
137.05963	7.2
138.03108	0.7
138.06738	1.6
139.03934	1.0
139.07556	1.3
141.06992	0.6
142.07780	1.0
143.08548	1.5
144.05687	1.0
145.06451	2.9
145.10120	9.2
147.08023	1.1
147.55524	0.4
148.05196	7.5
149.06027	2.3
149.09631	0.5
150.03091	1.1
150.06773	0.8
151.03889	2.2
151.07535	5.8
153.05499	4.2
153.06815	0.8
153.09090	0.5
154.06247	5.1
155.08566	3.9
157.10107	1.4
158.07280	1.8
159.11700	1.2
161.05972	1.1
161.09636	0.8
162.06793	1.0
163.07533	9.7
163.11188	0.7
164.08328	2.6
165.05472	100.0
166.06253	19.0
167.07074	5.2
167.08435	0.6
168.07793	1.7
169.08606	1.7
169.10139	1.2
171.11691	0.5
172.08739	0.6
173.09628	8.3
174.09995	0.6
175.07588	1.1
176.08316	2.6
177.09038	1.3
177.12759	3.0
178.07790	0.5
178.09810	0.8
179.07031	3.2
179.08557	1.8
180.07841	2.5
180.09244	0.8
181.08595	53.7
181.09950	1.8
182.08995	2.6
182.10410	0.4
183.10164	0.4
183.11708	0.7
187.11208	0.8
189.09103	1.0
189.12724	0.7
190.09863	1.4
192.09280	0.9
193.08618	1.4
193.10164	2.4
193.11902	0.5
194.09288	1.1
194.10889	1.6
195.10146	16.0
195.11630	1.2
196.10451	0.5
197.13269	1.7
205.12227	31.2
206.10851	0.9
206.12575	2.0
207.10002	0.9
207.11720	1.7
208.12361	0.6
209.11661	1.0
209.13335	4.8
217.12256	0.5
219.11755	1.5
219.13760	1.1
220.12529	0.9
220.14574	7.9
221.11493	2.1
221.13480	1.0
221.15274	0.9
223.14873	1.2
233.13251	0.8
234.14207	0.5
235.13251	22.8
236.13702	2.7
241.08553	0.7
247.14816	0.8
248.15739	0.8
249.16690	2.0
251.16406	21.1
252.16733	1.4
261.16418	1.0
262.17175	1.1
263.18280	2.1
264.18564	0.6
271.09683	1.0
275.12842	0.9
287.09174	0.4
287.12787	0.5
289.19507	0.6
293.18854	0.5
299.16357	0.8
302.11450	0.7
310.15662	0.5
340.16531	0.9
340.35620	3.6
341.17413	0.6
341.36142	2.4
343.19016	1.2
371.18423	1.4
372.18842	0.5
385.20309	0.5
388.18555	0.7
402.39365	7.0
403.21130	8.3
403.26282	21.8
403.31607	0.8
403.39648	6.4
404.21643	0.8
404.26611	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2117
Annotation	Gomisin K3
Peak:m/z	Relative Intensity
50.43840	2.0
51.69184	1.8
65.41515	1.9
69.58834	8.2
69.59229	3.8
77.77932	2.3
79.05513	3.2
81.07006	2.6
95.08602	3.4
96.47573	1.9
104.28690	2.1
121.61285	2.3
129.01797	3.5
137.74701	2.3
141.77510	1.9
166.23077	2.6
181.08578	2.9
185.05843	2.6
185.08173	2.2
197.05916	3.5
198.06816	3.9
199.07616	10.4
213.09100	4.9
215.07001	4.0
225.05421	3.4
226.06319	3.2
227.07054	32.4
228.07692	8.0
229.08583	3.2
239.07162	2.8
241.08582	15.2
242.09355	11.5
243.06544	8.4
250.09825	2.5
255.06438	4.5
255.10127	3.7
256.07306	5.7
257.08133	5.1
258.08823	9.3
259.09531	4.3
268.07275	5.3
269.08081	12.9
270.08926	8.1
271.06064	7.7
271.09634	18.2
272.06656	7.3
272.10233	4.6
273.11145	7.7
284.10413	6.7
285.07568	3.8
285.11185	3.7
286.08401	9.8
287.09119	32.6
297.11179	3.3
297.14807	3.5
299.09030	4.7
301.10696	34.8
302.11472	54.0
303.08496	3.0
303.11884	5.9
314.56271	2.5
321.07278	2.6
325.14374	26.6
331.11807	4.9
333.13321	22.8
340.16718	75.8
341.13644	5.1
341.17157	6.5
356.16296	4.1
371.18500	49.6
372.19296	10.6
387.15894	9.4
388.19351	14.0
403.21237	100.0
404.20847	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.7
54.35049	0.8
55.01870	4.3
55.05511	4.9
57.03437	0.8
58.32493	0.7
67.05243	0.7
67.05509	8.0
67.34153	0.8
69.03430	1.6
69.07063	2.3
71.11243	1.2
71.11589	0.8
79.05479	3.8
81.07066	4.0
83.04995	7.6
85.06525	0.8
91.05482	10.5
93.07043	11.6
95.04966	3.6
95.08606	15.7
97.06539	1.7
103.05491	1.0
105.03368	0.9
105.07034	9.2
107.08585	6.0
109.06528	1.6
109.10162	2.9
111.04428	3.1
111.08096	4.6
115.05454	2.5
115.72016	0.9
116.06242	2.3
117.07028	4.0
119.08582	15.0
121.06502	2.9
121.10155	2.5
123.08041	2.8
125.09620	0.8
128.06232	2.6
129.07022	6.3
131.08572	12.4
133.06497	2.3
133.10135	8.6
135.08023	1.8
135.11705	1.1
139.07529	3.9
141.06989	3.8
141.60893	0.8
142.07779	2.6
143.07584	0.7
143.08525	4.7
144.05722	2.0
145.06473	4.6
145.10104	2.4
147.08092	3.9
147.11703	4.5
149.09576	1.5
153.07013	2.5
154.07744	2.7
155.08554	14.9
156.09256	3.0
157.06488	14.7
157.10164	6.5
159.08054	17.5
159.11684	3.7
160.08649	1.2
161.09610	3.2
161.13298	2.9
165.06984	4.6
166.07719	2.5
167.08563	6.8
168.09233	1.3
169.06488	1.4
169.10144	6.8
171.08080	2.2
171.11678	3.1
173.09648	2.7
174.10417	1.5
175.11169	3.0
178.07799	2.6
179.08556	9.9
181.05035	0.9
181.06516	3.0
181.10086	6.3
182.07227	2.7
183.07990	2.3
183.11708	4.2
185.09641	1.8
185.13185	1.3
187.11243	2.7
189.12764	4.0
190.07813	1.4
191.08537	3.8
192.09303	3.6
193.10124	6.8
194.07280	2.3
194.10794	2.0
195.08041	6.2
195.11736	4.1
196.08759	3.8
196.12375	1.2
197.09625	15.5
197.13306	3.3
202.07748	1.1
203.08484	2.6
204.09309	1.2
205.10081	4.4
206.10867	3.8
207.07983	4.2
207.11693	6.5
208.08818	3.6
208.12207	1.0
209.09612	34.8
209.12874	3.9
210.10216	4.1
211.11208	11.2
211.14705	0.9
212.11612	0.9
213.12621	1.6
215.08594	1.6
216.09485	1.3
217.10045	3.2
218.10907	2.8
219.08142	2.0
219.11696	6.8
220.08777	1.3
220.12451	2.9
221.09729	5.5
221.13216	7.3
222.10260	2.0
222.13843	1.2
223.11195	10.1
223.14674	1.7
224.11763	1.4
225.12727	2.0
227.14282	1.5
229.10127	3.0
230.10840	1.6
231.11682	3.9
232.08739	1.4
232.12436	1.8
233.09698	4.2
233.13162	4.0
234.10359	2.2
234.13844	1.6
235.11179	7.4
235.14772	3.6
236.11787	1.5
237.12701	4.3
241.10051	1.6
242.10768	1.1
243.11617	2.9
243.13884	0.9
244.12424	1.9
245.09654	1.3
245.13205	4.5
245.15436	2.2
246.10327	2.8
246.13991	2.8
247.11150	5.1
247.14842	3.9
248.11948	3.2
248.15324	1.1
249.12750	6.4
249.14961	0.8
249.16434	2.0
250.13374	1.1
251.14159	1.2
256.12476	1.3
257.13171	2.3
258.14096	0.9
259.11182	2.3
259.14795	1.9
260.11862	1.8
261.12732	5.7
261.16257	2.0
262.13504	4.9
263.14264	18.0
263.17337	1.3
263.18069	1.2
264.14990	2.4
265.15930	4.3
269.13214	1.0
271.14737	3.8
272.15268	1.0
273.16385	1.4
274.13486	2.4
275.14322	6.6
276.14893	1.2
277.15924	5.7
281.12964	1.1
283.14886	1.0
286.17081	1.8
287.14340	2.0
287.17648	1.0
289.15869	16.9
290.16550	1.3
291.14423	1.0
291.17355	5.9
293.19000	1.9
299.14075	1.2
301.15897	1.8
303.17413	4.6
304.18158	5.1
305.18826	1.4
327.17224	1.2
329.15350	1.2
329.18970	2.7
357.22052	4.6
367.20392	4.4
375.23080	2.0
385.21567	18.8
386.21964	2.0
403.22580	100.0
404.22925	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
53.91015	0.4
55.01867	1.3
55.05508	5.4
57.03429	0.6
57.07067	0.6
65.03938	0.4
65.34777	0.5
66.42592	0.5
67.05503	8.1
69.03422	1.1
69.07069	4.6
69.13041	4.0
71.04991	0.6
79.05497	4.2
81.07057	7.2
83.04984	4.0
83.08596	0.5
83.29058	0.4
91.05473	6.5
93.07036	8.7
95.04976	2.1
95.08604	17.0
96.08974	0.6
97.06531	1.2
97.10173	0.6
99.04431	0.8
103.05463	0.7
105.07036	7.9
107.08595	6.2
109.06527	1.8
109.10143	4.4
111.04443	1.9
111.08067	3.3
113.06033	0.9
115.05433	1.3
117.07008	2.6
119.08571	5.9
119.60249	0.5
121.06489	1.6
121.10144	3.0
123.08057	2.9
123.11711	0.9
123.27649	0.4
128.06181	2.5
129.06993	4.9
130.07761	0.6
131.08577	3.8
133.06497	0.5
133.10133	4.1
135.08014	0.8
135.11681	2.0
137.05952	0.8
137.09564	0.5
139.07530	1.4
141.07001	3.1
141.09103	1.6
142.07774	4.4
143.08574	5.6
145.06456	0.5
145.10103	3.3
147.08080	1.8
147.11678	1.5
152.06129	1.1
153.06987	2.2
154.07765	1.4
155.08543	18.9
156.09196	1.6
157.06487	13.8
157.10129	6.5
158.06929	0.7
159.08060	0.8
159.11726	2.2
161.09616	3.7
161.13239	1.5
163.11151	0.7
165.06992	6.6
166.07802	3.2
167.08557	6.0
168.09332	1.6
169.06482	0.5
169.10109	5.8
171.07994	2.7
171.11685	1.9
175.11174	1.7
177.06964	0.5
178.07712	3.0
179.08540	14.1
179.10733	0.7
180.09332	3.0
180.76744	0.4
181.06464	2.1
181.10092	6.5
182.07086	0.8
182.10896	1.8
183.08061	1.5
183.11673	3.7
185.09743	0.5
185.13208	1.2
187.11151	0.9
189.06941	0.8
189.12752	2.5
190.07788	1.2
191.08540	3.7
192.09303	6.7
193.10135	12.4
193.11928	0.7
194.07280	4.5
194.10919	7.4
195.08054	6.3
195.11667	7.7
196.08661	1.4
196.12383	2.1
197.09578	4.8
197.13240	13.3
198.13712	0.6
202.07816	1.0
203.08604	1.8
204.09383	1.0
205.10109	5.2
206.07298	0.8
206.10930	4.7
207.08069	6.1
207.11671	13.1
207.13615	0.6
208.08792	3.9
208.12354	4.2
209.09619	19.8
209.13214	19.1
209.15230	1.0
210.10063	2.0
210.13849	2.1
211.11183	2.7
211.14835	1.2
215.08528	1.2
216.09322	0.9
217.10156	2.5
218.07320	0.6
218.10867	0.8
219.08118	2.3
219.11674	6.4
220.08846	1.9
220.12384	2.6
221.09634	10.5
221.13203	10.0
222.10216	1.6
222.13820	2.0
223.11195	10.0
223.14726	3.7
224.11539	0.7
225.12721	1.5
225.16257	0.6
229.10121	0.7
230.10927	1.5
231.08099	0.6
231.11736	1.8
232.08826	1.6
232.12440	1.8
233.09669	3.9
233.13231	6.3
234.10344	3.4
234.13985	2.7
235.11159	11.2
235.14737	6.9
236.11655	0.7
236.15419	1.5
237.12817	2.1
237.16435	0.9
243.11740	1.0
244.12346	0.7
245.09660	1.2
245.13226	3.5
245.15485	0.7
246.10414	1.8
246.13895	1.8
247.11183	5.6
247.14799	4.5
248.11896	3.7
248.15573	2.6
249.12714	6.8
249.16383	10.4
250.13193	0.5
250.16753	1.2
259.11191	1.5
259.14966	1.0
260.11890	1.5
260.15607	0.7
261.12784	5.0
261.16174	2.7
262.13522	3.0
262.17072	1.4
263.14319	21.2
263.17938	15.3
264.14786	2.3
264.18628	3.5
265.15921	1.2
265.19550	1.5
271.14670	0.6
271.28903	0.5
272.11993	0.5
273.12827	1.3
273.16510	0.6
274.13416	0.9
275.14328	3.9
275.17926	1.9
276.18695	0.6
277.15927	1.0
277.19189	0.7
285.12903	0.4
287.14386	1.6
287.17703	0.5
289.15894	4.4
289.19501	2.7
290.16238	0.5
291.17538	0.6
291.20883	0.7
301.15771	0.7
303.14169	0.5
303.17358	2.3
303.20996	1.3
304.18192	3.1
304.21896	2.0
305.18533	0.8
315.02917	0.5
327.17917	0.5
329.19025	1.1
357.22025	2.3
367.20554	1.0
385.21487	5.2
385.25906	0.7
402.38330	0.5
403.22629	17.1
403.26294	100.0
404.22882	1.7
404.26971	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.6
55.05526	9.3
57.07072	4.1
65.03948	2.4
65.72781	1.6
67.05499	19.4
69.03433	5.5
69.07076	3.3
69.71040	7.5
75.95468	1.9
79.05508	8.3
81.07059	6.2
83.04986	18.9
88.87929	1.7
91.05489	20.9
93.07043	21.0
93.07564	2.4
95.04960	8.0
95.08607	41.9
96.08861	1.7
97.06570	3.1
98.22768	3.2
98.23287	2.6
99.04488	1.8
105.07036	15.4
107.04979	1.7
107.08607	13.6
109.06554	4.2
109.10149	7.0
111.04454	9.8
111.08087	9.9
113.05990	2.8
115.05490	1.9
116.06223	2.9
117.07043	6.8
119.08581	14.3
121.06527	4.8
121.10162	5.1
123.08045	10.0
128.06236	3.1
129.07010	9.8
129.14748	1.7
131.08568	31.8
133.10155	8.8
135.08087	6.9
137.09602	1.9
139.07512	4.4
141.07013	5.7
142.07782	3.3
143.08569	11.6
144.09361	3.1
145.06531	1.8
145.10123	10.8
147.08054	5.8
147.11705	7.4
149.09671	2.0
153.06947	2.1
154.07834	3.9
155.08556	19.4
156.09369	2.3
157.06473	3.2
157.10130	13.7
159.08051	69.4
159.11690	12.3
160.08424	3.2
161.09634	9.2
165.07039	7.0
166.07782	3.4
167.08537	8.9
168.09372	3.3
169.10118	16.0
171.08066	2.0
171.11716	3.7
172.08862	2.8
173.09610	12.7
175.11211	7.7
178.07761	7.8
179.08617	11.4
180.09322	3.8
181.10045	8.6
182.10907	3.6
183.08095	2.6
183.11699	10.1
185.09592	4.1
185.13310	2.2
187.11215	14.9
191.08575	6.9
192.09315	13.1
193.10114	20.9
194.10985	5.6
195.07990	1.8
195.11748	8.9
196.12334	2.4
197.09608	15.0
197.13249	4.5
198.10298	1.9
199.11201	9.8
199.14764	2.1
203.08696	4.3
204.09299	4.0
205.10158	17.5
205.12012	2.9
206.10887	16.5
207.11693	32.9
208.12381	3.1
209.09662	11.9
209.13243	14.3
211.11194	45.1
211.14859	4.4
212.11642	3.9
213.12807	5.2
215.08556	4.5
216.09325	4.1
217.10229	8.1
218.10909	9.3
219.11678	26.1
219.13683	2.4
220.12407	14.5
221.09688	6.2
221.13248	22.6
222.14012	2.3
223.11171	19.9
223.14740	2.7
225.12758	19.9
226.13242	2.4
228.09337	4.1
229.10138	6.0
230.10904	13.1
231.11603	12.6
232.12444	17.2
233.13263	31.4
234.13762	8.1
235.11099	11.0
235.14760	9.4
236.15550	2.0
237.12741	22.2
239.14339	4.4
241.10135	2.6
242.10814	5.4
243.11685	11.3
244.12529	6.1
245.13297	22.3
246.10326	2.8
246.14063	9.9
247.11201	12.8
247.14799	15.9
248.11958	7.0
248.15665	4.1
249.12785	18.3
249.16379	9.1
250.13411	2.4
251.14360	5.3
255.11749	3.2
256.12527	7.5
257.13235	6.3
258.13940	3.8
259.11215	3.3
259.14868	6.2
260.12088	3.8
261.12753	23.7
261.16278	11.6
262.13498	10.7
262.16986	3.8
263.14313	87.7
263.17865	7.6
264.14642	10.2
265.15857	18.9
269.13284	2.6
271.14862	12.3
272.15558	2.0
273.12854	7.0
273.16461	6.1
274.13721	9.5
274.16370	2.7
275.14337	33.1
275.17834	5.2
276.14960	6.2
276.17953	2.0
277.15897	14.9
277.19147	2.9
279.17377	1.8
281.12927	2.1
285.12799	3.3
285.16238	3.0
286.13528	3.0
287.14310	11.2
287.17673	3.0
288.15036	4.5
289.15875	100.0
289.19330	5.5
290.16388	10.3
291.17416	36.2
291.20816	3.1
292.18002	4.5
293.19046	22.0
294.19299	3.3
298.13687	2.3
299.14297	4.0
301.15854	11.2
301.18930	2.0
302.16379	2.3
303.17462	33.7
303.20892	1.9
304.18253	33.9
304.21750	5.1
305.18887	12.1
306.19623	2.2
307.16971	2.0
309.16388	3.3
310.17181	3.3
311.14267	3.5
311.17923	3.1
313.15805	5.3
314.16492	2.9
315.13977	2.6
315.17297	8.5
325.15942	4.1
327.17484	5.9
328.18152	2.0
329.15302	8.1
329.19000	12.3
330.19556	2.2
339.21060	2.8
341.15292	2.7
342.19766	3.1
343.16959	4.8
343.20630	4.0
352.18649	2.5
357.18250	4.3
357.22107	24.4
358.22421	3.7
367.20572	15.3
368.20810	1.8
370.19418	2.0
385.21613	78.8
385.26495	4.4
386.21823	11.8
403.22614	79.4
403.26520	47.0
404.22546	11.5
404.27524	3.5
425.59961	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04020	2.9
55.01922	1.2
55.05585	2.7
62.04419	0.6
63.01107	0.7
65.03986	0.7
67.05588	5.3
69.03506	1.1
69.06841	1.3
69.07275	4.2
79.05503	4.8
79.18199	0.5
81.06634	0.8
81.07140	9.4
83.04984	4.7
83.34626	0.5
85.40290	0.6
91.05486	9.1
93.07041	9.0
95.05049	2.3
95.08607	11.3
97.06589	1.3
105.07035	7.9
107.08590	5.4
109.02879	6.1
109.06539	4.0
109.10171	3.6
111.04503	2.2
111.08141	2.7
115.05516	1.9
115.20026	0.6
116.06285	1.1
117.07091	2.8
119.08582	8.7
121.06594	2.1
121.10163	3.9
123.08126	2.1
123.11707	1.0
125.06031	0.7
128.06224	6.1
129.07030	3.9
130.07840	0.7
131.08589	6.4
133.10138	4.8
135.08099	2.0
137.05980	7.0
139.07567	3.9
141.07028	2.5
142.07814	2.9
143.08568	12.7
143.09660	0.8
144.05748	0.8
145.06476	1.4
145.10118	6.9
146.07230	0.7
147.08098	2.4
147.11734	2.1
149.09619	1.0
151.03841	1.0
152.06219	2.1
153.07031	2.0
154.07797	0.7
155.06032	1.0
155.08562	6.2
156.09274	2.6
157.06499	11.2
157.10144	6.2
159.08063	17.1
159.11685	3.4
160.08719	1.0
161.09639	3.0
161.13197	1.0
165.05630	1.0
165.06973	3.7
166.05812	1.6
166.07736	1.4
167.08594	2.9
168.09314	1.2
169.10085	3.1
170.07234	1.5
170.10895	1.1
171.08055	100.0
171.11584	4.7
172.08385	5.3
173.09631	6.5
173.13277	0.9
175.07564	0.9
175.11195	2.8
178.07729	1.7
179.08545	5.3
180.09221	1.3
181.06461	1.6
181.10072	2.9
182.07266	1.4
182.10818	1.0
183.08078	9.6
183.11659	3.9
185.09624	7.6
185.13232	2.8
187.11128	2.2
189.09131	1.0
189.12691	1.6
191.08461	1.7
192.09221	2.0
193.10136	4.8
194.07233	1.4
194.10815	0.9
195.06535	1.0
195.08009	5.9
195.11702	3.7
196.06802	0.9
196.08508	0.8
197.06998	0.9
197.09608	11.1
197.13205	2.1
199.05035	0.7
199.11072	2.9
199.14847	0.8
201.12668	1.0
203.08359	1.2
204.09230	1.3
205.10037	3.0
205.12053	0.9
206.07237	1.0
206.10826	2.7
207.08038	4.8
207.11676	4.5
208.08682	3.3
208.12415	0.8
209.09634	9.5
209.13118	1.6
210.10184	1.3
211.11200	6.4
211.14746	1.4
213.12671	2.6
216.09215	1.1
217.10089	1.5
217.12025	0.8
218.10762	1.7
219.07959	1.8
219.11861	3.7
219.13701	1.5
220.08836	3.4
220.12250	1.5
221.09636	7.8
221.13271	3.6
222.10309	3.3
223.11169	9.0
223.14682	1.9
225.12723	1.1
227.14276	1.5
230.10649	1.0
231.07884	0.9
231.11537	1.6
231.13689	1.4
232.08678	2.3
232.12241	2.0
233.09689	3.9
233.12982	2.6
234.10321	3.2
235.11179	11.4
235.14745	1.5
236.11848	1.5
237.12698	3.3
239.14125	0.9
243.11617	1.5
244.12354	0.7
245.09561	1.4
245.13057	2.3
245.15302	1.5
246.10429	3.7
246.13647	1.0
247.11226	9.7
247.14832	3.7
248.11705	3.2
248.14587	1.4
249.12767	9.1
249.16344	1.5
250.13145	0.9
251.14207	1.4
257.13019	1.3
259.10995	1.4
259.14432	1.8
260.15155	1.1
261.12766	9.5
261.16104	2.9
262.13235	2.7
262.16504	1.0
263.11365	0.7
263.14050	8.1
263.17273	1.3
264.14694	1.1
265.15921	6.5
267.17340	1.8
271.14563	1.6
273.12512	2.5
273.15717	1.2
274.13330	0.8
275.14069	3.9
275.17239	1.4
276.14481	0.8
276.18124	0.7
277.15500	2.0
277.18616	0.7
286.13440	1.2
287.13980	1.9
287.17514	1.5
288.14743	0.8
288.17944	0.8
289.15875	8.2
289.18912	1.6
290.16095	0.7
291.17130	1.8
299.13806	0.9
300.09686	0.8
301.15555	2.4
302.16223	0.8
303.17447	6.6
304.18277	8.5
304.21429	1.8
305.18417	1.4
315.17111	0.9
329.07715	0.8
329.18503	3.5
329.22327	1.3
343.11246	1.0
343.20212	1.2
344.09726	0.9
353.13397	1.2
357.22101	7.7
358.22131	0.9
361.21341	1.4
367.20346	3.2
372.09747	4.6
385.21591	21.2
385.26004	1.2
386.21213	2.3
403.21890	37.9
404.22601	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
55.05514	3.3
57.03438	0.2
57.07090	0.3
65.03929	0.3
67.05509	3.2
69.03418	0.3
69.07072	3.4
70.07413	0.1
71.04997	0.3
79.05495	2.0
81.07056	2.5
83.04987	2.1
83.08605	0.4
91.05481	2.7
93.07049	3.5
95.04964	0.8
95.08611	5.4
97.06552	0.4
98.23409	0.5
99.04480	0.3
103.05453	0.2
105.04526	0.2
105.07030	3.3
107.08597	2.0
109.06519	0.5
109.10144	1.1
111.04436	1.3
111.08077	1.1
113.05987	0.5
115.05473	0.6
117.07011	1.1
119.08583	2.6
121.06521	0.4
121.10181	0.8
121.10936	0.2
121.73344	0.2
123.08083	0.8
128.06226	0.9
129.07004	2.1
130.07782	0.2
131.08563	2.2
133.10143	2.0
135.08073	0.4
135.11679	0.3
137.05992	0.2
139.07564	0.3
141.06990	2.7
141.09088	0.4
142.07802	3.1
143.08572	4.2
144.09332	0.4
145.10136	1.8
147.08058	0.6
147.11684	0.6
152.06190	0.3
153.07004	1.4
154.07758	1.0
155.08554	16.7
156.09048	1.2
157.10136	3.8
158.10733	0.3
158.80893	0.2
159.08087	0.2
159.11705	1.5
161.09615	0.8
161.13287	0.4
165.06996	3.3
166.07796	1.6
167.08577	3.8
168.09389	1.0
169.10135	3.7
170.10735	0.3
171.11732	1.3
173.13280	0.3
175.11171	0.3
178.07744	1.7
179.08571	9.9
180.09322	2.6
181.10118	4.2
182.10895	1.4
183.11705	1.6
184.12338	0.2
185.13237	0.7
189.12798	0.5
191.08553	1.7
192.09334	3.1
193.10130	7.8
193.11948	0.4
194.10922	5.5
195.11688	5.7
196.12437	1.5
197.13258	12.7
198.13657	1.1
199.14824	0.4
203.08566	0.5
204.09364	0.3
205.10114	3.1
205.12088	0.2
206.10895	3.0
207.11694	7.7
208.12419	3.4
209.13252	18.3
210.13794	2.0
211.14815	0.8
216.09285	0.2
217.10155	0.7
218.10901	0.9
219.11681	3.8
220.12492	2.5
221.13252	8.0
222.13824	1.2
223.11290	0.2
223.14838	3.2
224.15471	0.8
225.16368	0.4
229.69858	0.2
231.11650	0.9
231.13768	0.2
232.12482	0.8
233.13239	4.2
234.14026	2.0
235.11310	0.3
235.14804	6.2
236.15390	1.0
237.16307	0.8
245.13281	0.6
246.14154	0.6
247.14809	3.6
248.15598	2.0
249.16382	8.0
250.16812	0.9
259.14807	0.5
260.15671	0.2
261.13382	0.3
261.16336	2.2
261.22327	0.2
262.17169	1.7
263.17944	11.3
264.18567	2.7
265.19412	1.1
273.16379	0.5
274.16974	0.3
275.17981	1.3
276.18628	0.3
277.19498	0.3
287.18036	0.3
289.19461	2.2
290.20184	0.3
291.21283	0.3
301.19443	0.2
303.21136	0.8
304.18460	0.3
304.21735	1.7
305.22296	0.2
315.21136	0.2
329.19153	0.3
329.22659	0.2
347.20181	0.3
357.25870	0.3
385.25296	0.5
393.63373	0.2
399.28076	0.2
403.26312	100.0
404.26675	15.1
404.32248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.05513	3.2
56.40880	0.2
57.03447	0.2
57.07093	0.3
67.05511	3.9
69.03432	0.3
69.07070	3.4
69.29980	1.6
69.30321	0.2
73.32183	0.2
78.77401	0.2
79.05493	2.2
81.07066	2.7
83.04982	1.9
83.08639	0.4
83.33038	0.2
88.87866	0.2
91.05477	3.4
93.07048	3.4
95.04980	0.7
95.08607	6.8
96.08938	0.2
97.06541	0.2
99.04461	0.5
105.07025	4.2
107.08599	2.3
109.06500	0.4
109.10169	1.0
111.04441	1.4
111.08083	1.0
113.06016	0.4
115.05492	0.9
117.07060	1.2
119.08581	2.5
121.10170	0.9
123.08070	0.8
128.06203	1.1
129.07013	2.1
130.07825	0.3
131.08585	2.4
133.10135	1.9
135.07986	0.2
135.11623	0.3
139.07564	0.5
141.06987	2.8
141.09045	0.2
142.07779	3.1
143.08571	4.3
144.09258	0.2
145.10130	2.0
147.08031	0.6
152.06245	0.4
153.07028	1.5
154.07787	1.0
155.08557	14.9
156.09331	1.4
157.10143	4.2
158.10886	0.4
159.08029	0.3
159.11676	1.3
161.09624	0.7
161.13277	0.3
163.11308	0.3
165.06998	4.2
166.07800	1.9
167.08589	3.8
168.09332	1.0
169.10138	3.2
171.11665	1.4
171.19121	0.2
175.11172	0.4
178.07806	2.2
179.08565	12.2
180.09302	3.3
181.10124	5.2
182.10806	1.1
183.11723	1.7
185.13264	0.7
189.12784	0.3
191.08592	2.0
192.09331	3.8
193.10133	8.8
194.10901	6.8
195.11687	6.2
196.12445	1.6
197.13264	9.3
198.13651	0.7
199.14803	0.3
203.08617	0.9
204.09306	0.3
205.10127	3.3
206.10921	3.3
207.11696	8.2
208.12466	3.5
209.13249	17.0
210.13783	2.2
211.14818	0.7
217.10149	0.9
218.10872	1.0
219.11681	4.2
220.12413	2.0
221.13249	8.4
222.13994	1.2
223.14835	3.6
224.15472	0.4
225.16388	0.4
230.10980	0.3
231.11671	0.8
232.12524	0.8
233.13242	4.3
234.13916	2.3
235.14819	5.2
236.15414	0.9
237.16409	0.9
245.13324	0.7
246.14017	0.8
247.14790	3.3
248.15544	2.2
249.16388	8.9
250.16866	0.8
259.14920	0.8
260.15533	0.6
261.16425	2.2
262.17163	1.6
263.14755	0.4
263.17941	12.3
264.18527	2.5
265.19418	1.1
273.16513	0.7
275.17987	1.3
276.18677	0.5
277.19580	0.4
289.19507	2.5
290.20139	0.4
291.21008	0.4
301.19315	0.2
303.21103	0.9
304.21854	1.4
305.22348	0.5
357.21912	0.3
357.25876	0.3
385.25452	0.3
403.26315	100.0
404.26685	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01862	0.2
55.05271	0.3
55.05513	3.5
57.03423	0.2
57.07076	1.7
58.06582	0.3
65.03916	0.4
66.31519	0.2
67.05180	0.2
67.05505	3.7
69.03412	0.3
69.06715	0.4
69.07066	3.8
69.33092	0.8
69.33504	0.7
70.06587	2.9
71.04980	0.3
71.06927	0.4
71.08619	0.6
77.98286	0.2
79.05496	1.8
81.07059	2.9
82.32047	0.2
83.04986	4.3
83.08616	0.5
84.32664	0.2
88.07631	3.7
89.07954	0.6
91.05486	3.4
93.07041	3.9
95.04930	0.7
95.08608	6.5
97.06487	0.4
98.22514	0.2
102.09185	2.9
103.09495	0.6
105.06377	0.3
105.07034	4.3
107.08598	2.7
109.06509	0.7
109.10142	1.6
111.04446	2.1
111.08064	1.2
115.05434	0.6
117.06999	1.0
117.21890	0.2
119.08575	3.1
121.06494	0.6
121.10147	1.4
123.08064	1.0
123.11718	0.4
128.06210	1.3
129.07019	1.9
130.07816	0.3
131.08549	2.3
133.10141	2.1
135.08046	0.4
135.11688	0.7
137.06017	0.3
139.07527	0.6
141.06989	2.2
141.09082	0.4
142.07806	2.6
143.08568	3.6
144.09332	0.3
145.06491	0.2
145.10136	2.4
147.08014	0.5
147.11671	0.7
153.06978	1.4
154.07730	0.8
155.08551	16.3
156.09167	1.0
157.10130	4.0
158.10875	0.3
159.08003	0.3
159.11717	1.9
161.09636	0.9
161.13287	0.6
165.07002	3.7
166.07784	1.7
167.08546	3.7
168.09349	1.2
169.10130	3.7
170.10861	0.2
171.11700	1.8
172.12393	0.2
173.09573	0.4
173.13243	0.6
175.11229	0.3
178.07742	2.0
179.08566	9.7
180.09297	2.5
181.08578	0.5
181.10114	5.2
182.10880	1.3
183.11713	1.9
185.09500	0.4
185.11758	0.3
185.13228	1.2
187.11246	0.5
187.14799	0.5
191.08546	1.9
192.09332	3.6
193.10127	8.9
194.10904	5.6
195.11690	5.9
196.12425	1.4
197.13251	10.8
198.13673	0.9
199.14799	0.5
203.08549	0.3
204.09338	0.8
205.10081	3.1
206.10905	2.9
207.11679	9.2
207.13641	0.5
208.12419	2.9
209.13252	18.4
210.13803	1.9
211.14775	1.3
217.10153	0.9
218.10863	1.0
219.11688	4.8
219.17532	0.3
220.12404	2.0
221.13252	7.0
222.13896	1.0
223.14803	4.5
224.15558	0.4
225.16447	0.5
227.06950	1.2
231.11684	0.5
232.12477	1.0
233.13235	4.9
234.13983	2.9
235.14812	5.7
236.15511	0.9
237.16357	1.3
241.08525	0.5
242.09352	0.3
243.06511	0.3
245.13225	0.8
246.13995	0.7
247.14818	3.9
248.15625	2.1
249.16388	9.7
250.16795	1.1
251.17830	0.6
257.07990	0.3
258.08795	0.3
259.14752	0.8
259.62509	0.2
260.15533	0.6
261.16397	2.8
262.17133	2.5
263.17941	11.3
264.18561	2.6
265.15765	0.3
265.19434	1.1
270.08871	0.4
271.09671	0.7
273.16345	0.5
275.17905	1.3
276.18671	0.3
277.19519	0.8
279.13364	0.3
287.09079	1.2
287.17813	0.4
289.19492	2.8
290.20187	0.4
291.20953	0.3
300.18683	0.3
301.10648	1.0
301.19507	0.3
302.11456	1.9
303.21057	0.5
303.93991	0.3
304.21790	2.5
308.10098	0.2
313.10825	0.3
315.12173	0.3
315.21118	0.4
325.14206	0.8
329.13693	0.2
333.13535	0.5
340.16684	2.2
340.35699	2.2
341.36053	5.6
343.15402	0.8
343.20050	0.3
347.19855	0.5
357.25861	0.4
361.21573	0.9
371.18491	1.4
385.25003	0.3
385.38480	0.4
388.18808	0.4
402.39453	5.0
403.26273	100.0
403.39697	15.9
404.22031	0.5
404.26639	12.6
404.40012	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.05518	3.2
57.03415	0.4
60.96986	0.4
67.05510	3.6
69.03445	0.3
69.07072	3.2
79.05490	1.8
81.07063	2.4
83.04980	2.4
83.08608	0.7
91.05482	2.9
93.07048	3.5
95.04977	0.8
95.08612	6.3
97.06541	0.3
98.23370	0.6
103.05511	0.4
105.07029	3.5
106.07327	0.3
107.08607	2.4
109.06525	1.0
109.10184	1.0
111.04453	0.7
111.08074	0.9
113.05972	0.3
115.05470	0.9
116.06296	0.3
117.07037	1.6
117.21243	0.4
119.08577	2.9
119.42683	0.3
121.10165	1.0
123.08091	0.8
123.11700	0.5
128.06248	1.1
129.06995	2.6
131.08554	2.1
133.10139	2.2
135.08177	0.4
139.07539	0.7
141.06987	3.0
141.09119	0.5
142.07811	2.8
143.08586	4.2
145.10129	2.2
147.08110	0.6
147.11687	0.5
153.07010	1.2
154.07742	0.6
155.08556	14.5
156.09177	1.1
157.10127	3.9
159.11670	0.8
161.09601	0.7
161.13319	0.6
165.06984	4.4
166.07803	1.9
167.08582	4.1
168.09357	0.6
169.10144	3.1
171.11696	1.4
178.07770	1.8
179.08549	10.9
180.09364	2.7
181.10103	3.9
182.10828	1.6
183.11746	1.5
185.13304	0.8
189.12918	0.5
191.08589	1.8
192.09315	3.8
193.10117	8.6
194.10915	5.2
195.11668	5.8
196.12399	1.5
197.13257	8.5
197.14929	0.6
198.13663	0.5
203.08600	0.5
204.09413	0.7
205.10144	3.4
206.10936	3.5
207.11685	8.2
208.12477	3.1
209.13258	18.1
210.13824	2.3
211.14828	0.9
217.10133	0.5
218.10995	0.8
219.11731	4.1
220.12509	1.5
221.13245	7.0
222.14014	0.8
223.14799	3.2
228.75168	0.4
231.11766	0.7
232.12521	0.7
233.13268	4.5
234.14024	1.8
235.14801	4.8
236.15466	0.9
237.16418	0.7
245.13358	0.8
246.14053	0.8
247.14754	3.2
248.15541	2.3
249.16380	8.1
249.18800	0.5
250.16872	0.7
253.08202	0.4
254.08450	0.6
259.14917	0.8
261.16434	2.2
262.17099	1.6
263.17950	11.2
264.18567	2.5
265.19437	0.7
267.09375	0.5
269.07343	0.4
269.10867	0.6
275.18027	1.1
276.18448	0.4
289.19391	2.1
291.20877	0.5
295.09277	0.4
297.10440	0.7
299.11960	0.6
300.09048	0.4
301.09818	0.5
303.21082	0.9
304.21841	1.3
313.09952	0.5
327.11295	1.2
357.25742	0.6
359.13885	1.5
361.11557	0.7
373.15448	0.7
385.25818	0.4
403.16946	2.7
403.26321	100.0
404.26688	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45412	0.3
53.03946	0.6
55.01871	1.8
55.05507	5.2
65.03943	1.0
67.05502	6.6
69.03433	1.0
69.07069	3.6
69.26229	2.5
71.04991	0.4
79.05487	4.3
81.07055	5.5
82.97279	0.3
83.04985	4.3
83.08614	0.6
83.10210	0.4
88.35598	0.3
91.05477	4.8
93.07036	7.0
93.66599	0.3
94.07356	0.4
95.04978	1.6
95.08607	12.7
97.02901	0.6
97.06536	1.0
99.04480	0.4
103.05503	0.5
105.07023	7.2
107.04953	0.7
107.08603	4.9
109.06523	1.3
109.10138	2.2
111.04450	2.2
111.08091	2.1
113.05997	0.6
115.05463	1.1
117.07023	2.0
119.08576	4.5
121.06512	1.1
121.10120	2.2
123.08099	1.9
123.11735	0.4
128.06201	1.8
129.07005	4.0
130.07790	0.5
131.08560	3.4
133.06459	0.6
133.10117	3.2
135.08063	0.7
135.11703	0.8
137.09621	0.5
139.07576	1.0
141.06975	3.4
141.09048	0.7
142.07776	4.0
143.08560	6.7
144.09097	0.4
145.06490	0.8
145.10097	3.3
147.08055	1.2
147.11684	1.1
152.06250	1.0
153.07004	2.1
154.07773	0.9
155.08546	19.8
156.09244	1.7
157.06477	9.7
157.07684	0.5
157.10118	6.2
158.06876	0.6
158.10843	0.4
159.08038	0.7
159.11713	2.0
161.09669	1.5
161.13319	0.6
165.06998	6.5
166.07806	3.3
167.08548	6.1
168.09320	1.3
169.10144	5.8
170.10748	0.4
171.08055	1.3
171.11655	2.1
173.09720	0.4
173.13246	0.5
175.11163	1.6
177.07037	0.6
178.07732	3.5
179.08554	14.6
180.09294	4.8
181.06578	1.7
181.10124	6.8
182.10869	1.9
183.08051	1.0
183.11714	2.5
185.09590	0.7
185.13297	0.7
187.11133	0.5
189.06898	0.4
189.12811	0.9
190.07800	1.2
191.08551	4.2
192.09291	5.1
193.10120	14.2
193.11922	0.7
194.07251	2.8
194.10898	7.1
194.67358	0.4
195.08047	4.2
195.11691	6.9
196.08763	0.4
196.12408	1.6
197.09637	3.5
197.13260	10.4
198.13591	0.5
199.11201	0.4
202.07826	1.2
203.08516	1.7
204.09343	1.9
205.06670	0.3
205.10114	5.8
206.07243	0.4
206.10890	4.7
207.08099	4.8
207.11674	12.8
208.08832	2.2
208.12410	3.8
209.07625	0.8
209.09627	16.2
209.13222	18.3
210.10033	1.7
210.13649	1.8
211.11095	1.6
211.14822	1.0
215.08624	1.1
216.09358	1.0
217.10074	2.4
218.10890	1.7
219.08113	1.4
219.11676	6.8
219.13704	0.6
220.08879	1.1
220.12407	3.1
221.09686	5.7
221.13219	11.8
222.10373	1.0
222.13878	1.4
223.11209	4.1
223.14745	3.5
224.11708	0.7
224.15286	0.5
225.12788	0.6
225.16354	0.6
229.10254	1.1
230.10866	1.7
231.08118	0.4
231.11610	2.2
232.08965	0.6
232.12518	1.6
233.09659	2.4
233.13222	6.6
233.15367	0.6
234.10443	1.8
234.13901	2.6
235.11185	6.5
235.14777	6.9
236.11646	0.9
236.15474	1.0
237.12730	1.0
237.16429	1.3
241.10014	0.5
243.11647	0.7
244.12431	0.5
245.09494	0.6
245.13182	3.4
246.10617	0.7
246.13913	1.7
247.11217	3.2
247.14757	4.0
248.11920	2.8
248.15651	2.9
249.12726	3.1
249.16374	10.1
250.13118	0.3
250.16914	0.8
257.13220	0.7
258.14093	0.4
259.11020	0.8
259.14941	0.8
260.11954	0.6
260.15402	0.5
261.12738	2.5
261.16302	2.5
262.13544	2.2
262.17102	1.3
263.14334	15.9
263.17947	12.5
263.20743	0.5
264.14746	1.9
264.18491	3.0
265.15854	1.2
265.19446	0.9
271.14731	0.8
273.01724	0.3
273.12784	0.6
273.16318	1.2
275.14319	1.8
275.17926	1.2
276.14941	0.4
276.18576	0.5
277.15848	0.7
277.19177	0.5
285.16306	0.5
287.14355	0.5
287.17719	0.5
289.12643	0.6
289.15875	3.3
289.19482	2.3
290.16241	0.8
290.20102	0.4
291.17520	0.5
301.19513	0.4
303.17407	1.1
303.20905	0.7
304.18170	1.9
304.21869	1.6
327.17575	0.4
329.19077	0.7
357.22067	0.9
367.20441	0.9
375.23141	0.5
385.21481	4.1
385.25766	0.4
386.21872	0.7
403.22733	16.0
403.26324	100.0
404.22903	2.2
404.26990	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.2
53.03949	0.7
55.05509	3.1
57.03437	0.2
58.99158	0.2
65.03933	0.4
67.05502	4.0
69.03418	0.3
69.07063	3.5
69.14379	1.9
71.04977	0.4
79.05490	2.0
81.07059	2.7
83.04990	2.6
83.08625	0.6
91.05474	3.6
91.06008	0.3
93.07043	4.1
95.04960	1.0
95.08604	7.0
96.08950	0.2
97.06585	0.4
99.04473	0.6
103.05463	0.3
105.07023	4.0
107.08595	2.4
109.02955	0.2
109.06534	0.8
109.10153	1.3
111.04439	1.3
111.08098	1.3
113.06055	0.3
115.05481	0.6
117.07012	1.3
119.08572	2.9
121.06506	0.6
121.10167	1.2
123.08017	1.1
123.11691	0.3
125.09650	0.4
128.06189	1.1
129.07033	2.2
130.07825	0.3
131.08563	2.1
133.10126	1.9
135.08118	0.3
135.11726	0.4
139.07561	0.5
141.06964	2.1
141.09079	0.4
142.07759	3.5
143.08557	4.1
145.10106	2.5
146.10966	0.2
147.08051	0.6
147.11751	0.3
152.06210	0.5
153.06979	1.2
154.07759	0.9
155.08549	13.8
156.09099	1.2
157.06508	0.8
157.08858	0.4
157.10109	3.9
157.11267	0.3
159.11687	1.5
161.09605	0.8
161.13301	0.4
165.06984	3.9
166.07764	1.6
167.08557	4.3
168.09351	1.0
169.10121	3.3
170.10905	0.3
171.11668	1.5
172.95262	0.2
173.09724	0.2
175.11317	0.3
178.07739	2.6
179.08559	10.7
180.09325	3.2
181.10104	5.5
182.10899	1.1
183.11710	2.2
184.12379	0.3
185.13284	0.6
189.06831	0.3
189.12877	0.3
190.07802	0.3
191.08539	2.2
192.09340	4.1
193.10129	9.2
194.10893	6.6
195.07951	0.4
195.11681	6.3
196.12396	1.4
197.09579	0.4
197.13245	9.2
198.13693	0.8
203.08568	0.6
204.09413	0.6
205.10104	3.6
205.11873	0.3
206.10869	3.9
207.08568	0.3
207.11681	12.2
208.12415	3.6
209.09741	1.4
209.13237	19.1
210.13693	2.2
211.14789	1.1
217.10115	1.1
218.10797	1.3
219.11684	5.0
219.13698	0.4
220.12407	2.7
221.09718	0.4
221.13243	8.3
222.13737	1.3
223.11313	0.5
223.14813	3.7
224.15509	0.5
225.16338	0.7
230.10966	0.3
231.11769	1.2
232.12384	0.9
233.09590	0.4
233.13252	5.1
234.10420	0.4
234.13991	2.9
235.11116	0.6
235.14789	6.9
236.15343	1.1
237.12903	0.3
237.16388	0.9
238.16934	0.2
243.11707	0.3
245.13251	1.1
246.10664	0.3
246.14059	0.9
247.14796	4.0
247.17380	0.2
248.15565	2.6
249.12845	0.4
249.16368	9.2
250.16916	0.6
251.18010	0.3
257.13437	0.2
259.14938	0.8
260.15662	0.5
261.12750	0.5
261.16394	2.8
262.17139	1.4
263.14426	1.4
263.17926	12.6
264.18585	2.7
265.19522	1.3
273.16254	0.5
274.17017	0.3
275.14795	0.3
275.17957	1.3
276.18610	0.5
277.19473	0.4
285.16293	0.3
286.16779	0.3
287.17975	0.4
289.16113	0.6
289.19534	2.5
290.19949	0.3
291.21051	0.3
301.16119	0.2
301.19449	0.3
303.21069	0.8
304.18384	0.3
304.21652	1.8
310.49487	0.2
338.09601	0.2
357.21930	0.2
385.21368	0.5
385.25565	0.5
403.26324	100.0
404.26685	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.8
55.05512	15.4
57.03431	1.0
57.07055	3.7
65.03928	2.3
67.01866	2.3
67.05502	27.1
69.03451	1.0
69.07069	15.4
69.39296	8.0
71.04992	1.7
71.08640	1.8
73.86429	1.1
79.05502	8.8
81.07058	50.1
82.07358	1.5
83.04974	4.6
83.08619	7.9
85.06554	4.1
91.05493	7.9
93.07043	16.3
95.04971	2.3
95.05921	1.1
95.08605	53.6
96.08970	1.4
96.38869	1.0
97.10155	4.2
105.07034	10.1
107.08569	8.7
109.06548	6.7
109.10158	24.0
110.10439	1.2
111.04410	1.4
111.08053	2.2
111.11721	1.7
117.06982	2.2
118.51384	1.1
119.08564	7.1
121.06487	3.6
121.10122	6.4
123.08070	7.4
123.11681	7.4
125.06029	1.8
129.01845	5.8
129.06958	1.3
131.08562	2.3
133.06512	2.0
133.10138	4.3
135.08046	4.2
135.11664	4.1
137.05972	22.0
137.09587	1.6
137.13268	4.6
139.00290	1.6
139.03897	2.6
139.07581	6.7
141.05482	2.0
142.07831	2.0
143.08556	3.6
145.10118	4.0
147.08041	4.2
147.11670	3.6
149.06004	6.0
149.09561	1.7
149.13266	4.7
151.07541	50.1
152.07930	1.5
153.05540	1.4
155.08588	2.5
157.01309	2.2
157.10101	3.6
159.08060	3.8
159.11742	2.6
161.05984	5.6
161.09624	4.4
161.13277	1.7
163.07573	2.7
163.11156	1.9
163.14796	3.4
165.05463	11.1
165.09132	16.4
167.07042	100.0
168.07373	4.2
171.11714	2.8
173.09560	1.7
173.13283	1.8
175.07552	5.3
175.11118	2.6
175.14827	2.5
177.09167	5.3
179.07021	5.8
179.08549	2.5
179.10654	4.0
181.08618	3.2
185.08090	1.2
185.09648	2.3
187.11087	1.7
188.08353	2.6
189.09108	12.8
189.12752	2.0
191.07043	4.0
191.10596	3.0
192.07785	2.0
193.08582	5.6
193.10170	2.0
195.11684	1.8
197.13258	3.3
199.11230	1.2
203.08951	1.3
203.10663	6.5
205.08569	4.8
205.10307	1.9
205.12247	3.0
206.09293	1.4
207.10139	9.2
207.11810	2.3
209.13220	3.7
215.10786	1.3
217.12280	4.3
219.10080	1.9
221.11673	4.0
226.92848	1.1
231.13708	1.9
233.11710	2.3
235.13045	1.8
249.16618	1.2
263.14328	1.6
263.17972	2.8
264.18280	1.2
265.19540	1.4
367.26605	2.2
373.14404	1.3
375.28873	1.8
385.27322	8.4
388.17078	1.9
403.14661	7.9
403.19077	3.8
403.27667	22.0
403.33524	3.0
403.39609	2.2
404.15692	1.6
404.20410	2.1
404.28442	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.357
Annotation	delta-Tocopherol
Peak:m/z	Relative Intensity
55.01863	4.7
57.07080	12.2
61.83450	5.2
69.02475	9.1
69.02876	35.5
70.57848	4.2
71.08642	10.7
79.05486	9.4
81.07072	9.7
83.04997	7.4
84.13610	4.3
84.16386	4.8
91.05472	8.6
93.07058	7.3
109.06528	21.2
109.10166	5.0
129.01808	8.4
137.05983	98.8
151.07549	12.5
155.06956	5.3
165.09190	9.0
179.10684	8.1
207.13763	5.7
221.15408	5.7
291.23233	4.7
303.10687	4.7
403.26166	9.2
403.35712	100.0
404.35873	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79051	0.9
61.02899	0.8
65.03940	1.1
69.03406	1.9
69.90376	3.2
70.06563	1.0
85.02897	6.4
91.05482	14.2
97.02873	2.2
98.72438	1.0
105.07047	1.1
118.32683	0.9
119.04938	22.4
136.05113	1.0
145.04970	0.9
147.04408	19.1
152.87917	0.9
157.03964	1.9
164.04695	2.3
175.03908	39.5
176.04308	1.3
179.07045	1.4
192.04182	10.5
207.06520	100.0
208.06914	5.4
225.07562	29.4
226.07855	1.4
242.17509	2.7
251.22327	0.9
304.06979	0.9
404.16507	2.0
405.17209	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20875	5.0
69.03415	6.1
70.06602	7.7
71.30462	5.7
85.02896	19.7
86.09722	4.8
91.05474	10.2
119.04923	23.4
123.04408	9.9
137.05956	6.7
147.04433	21.5
175.03911	44.4
179.07013	6.5
192.04230	12.7
194.97424	5.9
207.06538	100.0
225.07561	36.9
320.80463	5.0
334.08334	8.3
404.15948	37.3
405.06061	5.5
405.15146	53.3
415.17188	5.0
424.11035	5.2
427.53732	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
60.17435	0.7
61.02907	1.4
62.56825	0.7
65.03945	1.5
66.51799	0.7
66.79735	0.7
69.03403	1.5
75.29185	0.7
81.03406	0.8
83.38381	0.7
85.02910	6.3
91.05483	15.1
97.02875	1.9
100.53658	0.8
118.04121	1.1
119.04949	25.3
132.02080	1.7
145.02870	0.7
147.04411	21.4
149.02365	1.7
157.03989	2.3
164.04730	2.4
175.03905	38.9
176.04239	1.6
179.06973	2.2
180.08781	1.4
192.04156	12.6
206.08090	0.9
207.06520	100.0
208.06847	5.6
212.28320	0.7
225.07564	31.2
226.07895	1.4
241.10561	0.9
252.08847	0.8
350.64667	0.7
400.07968	0.8
404.15945	2.2
405.16949	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83251	0.8
54.40983	0.8
69.03439	1.6
70.63624	2.5
74.57333	0.9
80.15693	0.8
82.07247	1.0
85.02888	6.1
91.05471	14.8
97.02908	2.1
118.04173	1.8
119.04935	24.6
127.04013	0.9
129.03369	1.4
132.02061	1.7
147.04404	19.4
147.05473	1.5
147.82098	0.9
149.02364	1.2
157.03955	2.4
164.04648	2.0
175.03899	40.4
179.07005	1.7
180.08632	1.8
192.04153	11.9
207.06519	100.0
208.06929	3.6
225.07565	29.3
351.96353	1.0
405.17245	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1701
Annotation	Oxostephamiersine
Peak:m/z	Relative Intensity
50.21655	0.7
53.03957	1.1
55.01874	2.0
56.05036	1.1
57.03426	1.0
58.06612	2.6
67.05508	0.8
68.05034	3.0
68.08455	0.7
68.99806	2.3
69.03422	1.8
70.06594	42.9
71.24049	0.7
71.29295	1.1
74.06107	0.8
77.03954	1.3
79.05510	3.0
80.05035	2.0
81.07058	2.3
82.06580	4.1
83.01342	1.4
83.04987	2.5
83.89243	1.0
84.08154	5.2
85.02924	2.9
86.06076	2.6
86.09746	0.9
91.05475	4.5
93.07065	3.3
94.06577	6.8
95.04965	1.8
96.08128	6.1
97.02908	1.0
100.07608	2.4
105.03411	0.8
105.07047	2.3
107.04965	5.2
107.08619	0.9
109.02883	1.3
109.06543	0.9
111.04427	0.7
112.07613	3.0
114.05561	0.7
114.09166	43.4
115.05412	1.2
115.09508	1.0
117.07062	1.7
119.04945	6.3
119.08631	1.1
121.06470	1.8
123.04435	31.6
124.04813	1.1
129.07028	1.7
131.04865	0.9
131.08591	1.0
133.06538	2.7
135.04414	2.1
135.08096	1.9
136.07570	1.1
137.02368	0.9
137.06006	4.5
137.06882	0.8
139.03902	4.0
141.05489	1.1
143.04965	0.8
145.10135	0.8
147.04393	14.0
147.05473	1.0
147.08015	1.9
148.04816	1.3
149.05997	2.3
149.09578	0.7
151.03908	17.9
151.07509	2.2
152.04160	0.8
153.05466	19.8
157.06494	1.1
159.08067	0.8
160.05208	1.4
161.05965	6.2
163.03938	8.9
163.07552	2.4
165.05482	5.3
167.07037	3.5
169.04990	1.6
173.05972	1.4
175.03905	8.8
175.07504	6.5
177.05492	13.0
177.09081	1.6
178.05807	0.8
178.08673	1.0
179.07047	15.5
180.07349	1.0
181.08620	1.5
185.06055	1.4
187.07527	2.7
188.10670	1.4
189.05426	3.4
191.07019	3.0
192.04207	2.5
192.10226	0.9
193.04935	1.8
193.08604	5.5
203.07030	11.6
205.08571	6.3
206.07993	5.6
206.11879	0.9
207.06528	22.0
215.06941	0.7
216.10213	4.5
218.11769	1.0
221.08107	4.5
225.07585	7.4
225.14935	1.5
234.11224	16.9
235.11624	1.1
246.11319	1.7
252.08694	5.8
252.12311	100.0
253.09393	0.8
253.12630	4.7
257.09576	0.9
264.08768	1.3
264.12280	4.3
285.07617	7.6
337.10553	1.0
350.13809	1.6
360.41458	0.8
368.14920	2.2
386.16083	6.5
387.16183	0.9
404.16913	90.5
405.05762	1.2
405.12277	1.0
405.17224	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67313	0.4
50.68557	0.4
57.03430	0.5
58.39674	0.4
61.02899	0.6
63.86062	0.4
69.02522	3.9
69.03420	1.2
74.14877	0.5
77.88934	0.4
78.04697	0.8
81.03381	0.5
83.55573	0.4
85.02901	2.4
88.08681	0.5
91.05442	0.5
93.46795	0.4
95.04973	0.5
97.02905	0.7
97.06535	0.4
99.04452	1.0
105.06970	0.4
106.04168	0.9
109.02938	0.4
116.75342	0.4
123.04450	2.3
124.05134	0.5
127.03868	0.7
137.05997	0.8
149.09648	0.8
152.04655	0.8
161.09651	0.9
167.07036	100.0
168.07382	4.0
180.08723	0.8
206.86630	0.4
207.10190	0.8
209.87848	0.4
225.11212	13.4
226.11565	0.7
302.46677	0.4
404.16104	0.5
412.94305	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.9
60.05321	4.2
67.05504	6.2
67.44644	3.7
69.03445	5.0
69.22897	28.1
69.23301	8.8
71.04993	15.0
76.25571	3.5
79.05492	11.1
81.07052	35.6
84.65075	3.6
85.02902	9.8
91.05482	19.5
93.07033	36.9
95.11131	3.9
97.02905	18.3
98.11806	4.6
98.23450	4.5
99.04469	43.0
105.07027	53.1
107.08627	19.1
109.06548	6.8
111.07422	4.0
111.08071	23.0
119.08597	7.8
121.06503	6.4
133.06496	8.3
133.10130	100.0
137.05998	15.5
143.08586	8.8
145.10110	4.6
146.07242	4.4
147.08037	6.0
151.07582	5.1
158.33920	4.1
161.08270	5.8
161.09618	88.8
163.11191	14.6
179.10686	48.2
189.09103	42.6
207.10172	24.4
225.09026	3.3
225.11211	99.5
226.11653	4.9
282.08575	7.3
288.09247	4.1
296.09924	4.1
318.10364	5.8
346.13663	8.5
354.14032	4.9
386.16791	9.9
404.17670	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17505	2.4
53.03951	4.5
53.16476	2.4
55.01868	5.7
56.46954	2.5
57.03429	5.5
61.13158	3.0
67.05492	10.1
69.03436	7.5
70.03458	6.2
71.04982	9.5
73.02907	3.5
79.05496	7.8
81.07055	40.6
83.04977	3.9
85.02903	12.1
86.67223	2.7
91.05475	27.2
93.07020	13.7
95.04974	6.0
95.08576	9.5
97.02916	6.6
97.11868	2.6
98.23310	3.2
99.04430	15.3
105.06476	3.3
105.07040	33.8
107.04939	5.5
107.08597	9.7
107.93030	2.6
109.06517	42.1
109.10152	11.5
109.26054	2.9
111.04426	10.6
119.08581	82.6
121.10135	8.0
123.08052	19.7
127.07504	3.2
131.04939	3.8
133.06462	3.3
133.10130	32.0
135.08057	3.6
135.11731	3.4
137.06001	15.4
137.09608	40.6
138.06328	3.6
143.08549	10.5
145.04926	4.8
145.10086	5.0
147.04463	3.1
147.08051	16.8
147.11653	3.3
147.59500	3.3
149.09572	5.3
149.71942	3.4
151.07529	18.0
151.11198	4.1
161.09631	45.9
161.13264	5.5
162.09933	3.6
163.07509	9.9
163.11143	15.7
165.09109	35.9
179.10672	41.4
180.08658	4.0
181.04895	5.3
181.81877	2.8
183.10199	3.9
186.62657	2.9
189.09109	22.3
189.12762	8.1
194.09160	2.9
207.10164	100.0
207.13515	5.7
208.10504	5.1
218.25539	3.1
225.11212	96.4
225.14699	6.1
226.11496	4.2
404.13989	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	4.7
56.06481	4.8
61.02924	5.6
67.05495	4.4
69.03439	5.9
71.04970	5.2
71.11215	6.1
71.11573	4.1
79.05477	5.1
81.07079	4.8
85.02907	20.8
90.43468	4.0
91.05461	9.0
93.07040	21.4
95.04981	8.2
99.04474	9.1
105.07030	62.4
107.08609	16.0
109.06577	6.5
119.08599	7.3
123.08098	7.3
124.69017	4.4
127.03973	4.3
133.06499	19.3
133.10109	41.2
137.05975	96.6
145.10178	12.7
151.07574	29.7
161.09639	21.4
163.11185	100.0
175.11205	18.7
177.08995	4.8
179.10703	58.8
189.09079	20.0
207.10335	10.9
207.13806	60.3
213.36110	4.6
304.34085	5.4
381.97891	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.8
62.09877	4.8
67.05515	7.4
69.03456	5.2
70.60738	12.8
79.05486	8.8
81.07066	8.5
85.02918	12.1
85.06538	12.0
89.09224	5.0
91.05489	24.4
93.07085	8.1
95.04918	5.5
95.08622	7.9
103.05474	7.2
105.07040	67.9
107.08597	30.4
109.06537	13.4
109.10171	6.1
111.78479	4.7
117.07058	7.4
118.61169	5.0
119.08573	61.8
121.10167	21.6
123.08072	15.6
123.11724	8.1
131.08559	25.0
133.06509	6.7
135.08081	8.5
137.06015	23.3
137.09598	11.1
145.10114	9.4
147.11688	92.3
148.12138	6.3
149.09641	14.8
151.07527	32.7
161.05904	10.6
161.13176	6.7
163.07521	10.4
163.11188	7.3
167.07063	7.9
171.11681	5.1
189.09140	15.2
189.12747	61.6
207.10251	11.1
207.13795	100.0
225.14923	6.6
227.10628	7.1
242.17751	6.0
253.12537	5.5
255.10316	9.1
287.12979	6.3
358.68213	4.8
388.30948	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.7
55.05495	4.2
59.05002	3.2
65.03949	2.5
69.03459	3.2
69.38774	6.0
69.39180	9.8
70.06583	13.7
79.05494	4.0
81.07050	3.6
83.44879	2.6
85.02906	15.0
91.05479	11.1
91.88399	2.5
93.07054	6.7
95.04967	3.2
95.08598	6.1
103.05505	3.8
105.03368	2.7
105.07034	24.2
107.04942	4.1
107.08597	10.7
109.02867	2.7
109.06508	5.0
117.06976	4.4
119.08590	25.0
121.10127	15.4
123.04440	11.8
123.08087	3.0
123.11722	5.7
125.09660	2.9
128.06268	2.8
129.06976	5.7
131.08585	10.6
133.10109	11.3
135.08055	20.2
135.11713	3.9
137.05960	4.7
139.03940	10.1
143.08577	11.5
145.10161	11.0
145.80670	2.4
147.04433	3.8
147.08049	16.8
147.11696	17.5
149.05936	2.8
149.09593	11.9
149.94676	2.9
156.09317	18.5
156.21306	2.5
159.11789	3.1
161.05930	3.6
161.09673	3.3
161.13277	5.1
163.03925	3.6
165.09096	4.1
165.12724	2.8
171.11690	40.9
175.07530	4.1
177.05499	7.3
189.09074	3.4
189.12752	32.9
207.06549	5.7
207.13799	100.0
208.14128	7.6
241.10454	7.0
242.10815	13.4
309.58472	3.1
404.15802	19.9
405.17239	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89833	3.9
52.65495	3.7
55.01872	8.3
55.05508	4.9
56.70533	4.9
67.05507	6.6
69.03436	7.4
70.06596	7.9
71.28948	3.9
71.29315	5.8
73.10265	4.1
79.05495	9.3
81.07074	7.7
85.02883	23.8
91.05471	7.0
93.07056	17.8
95.04965	5.2
97.06564	5.6
99.04453	11.0
105.07050	16.6
107.04961	10.0
107.08573	12.0
109.06525	8.0
119.08596	14.8
121.10152	20.7
123.04473	7.5
123.08060	16.6
123.11745	5.5
131.08594	13.4
135.08064	7.4
137.05952	7.6
138.05501	6.0
139.11191	7.0
147.04396	5.8
147.11711	16.7
149.09615	86.1
156.09325	5.7
159.11595	5.0
163.03836	6.1
165.09055	4.8
167.10683	52.6
171.11726	11.6
177.05434	5.6
181.04987	5.8
189.12766	24.3
193.08640	10.1
203.05292	8.1
204.05806	6.1
207.13766	43.7
208.14253	6.6
211.08557	5.0
225.14925	9.0
239.08095	10.8
241.10208	4.7
242.10892	8.2
242.17589	10.5
243.15688	4.4
245.12740	6.5
281.09225	6.7
294.27295	4.4
299.10278	14.2
309.08710	7.6
312.97964	4.2
327.09753	15.2
345.10880	20.0
373.10352	29.2
404.16019	100.0
404.20889	8.1
405.17267	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20600	3.1
70.06606	5.1
70.57228	7.2
70.57600	6.7
81.07060	5.8
82.85557	3.4
85.02898	22.9
91.05468	17.5
119.04942	25.5
119.08595	3.7
123.04441	7.1
123.11686	18.0
137.06001	7.2
137.66905	3.2
142.26936	3.3
147.04370	24.2
165.90857	3.1
175.03908	45.9
177.05490	5.6
192.04184	11.8
207.06522	100.0
207.13834	11.2
208.06897	6.3
225.07549	23.9
225.14798	4.3
237.03014	3.5
241.10474	9.6
242.10809	12.5
316.91348	3.9
345.11990	4.8
386.15933	5.5
404.16080	21.2
405.05692	5.3
405.15561	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76949	0.7
55.01871	2.0
61.02935	1.2
61.25724	0.8
66.92326	0.7
67.05479	0.8
69.03432	4.2
69.77650	0.8
79.05499	1.2
81.03417	1.6
81.07044	1.2
85.02903	18.4
91.05477	2.2
92.98968	0.8
93.07040	2.3
94.04177	1.3
97.02877	4.0
105.07047	5.7
107.04950	2.7
109.02868	1.3
119.04902	0.9
119.08572	2.7
121.06486	1.6
122.03620	3.2
127.03891	2.7
133.06491	18.9
133.10124	1.0
137.05971	100.0
138.06305	3.3
145.04965	2.9
147.08038	2.3
147.11732	4.0
149.09656	0.9
151.07523	2.4
157.10085	2.2
163.11169	1.5
171.05354	1.0
175.11183	32.3
176.11522	2.3
179.10678	1.1
207.13800	68.7
208.14200	4.8
291.51074	0.8
323.12689	1.3
344.42889	0.8
355.15414	5.7
356.16245	1.3
361.32013	0.9
387.18143	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35495	1.3
66.87126	1.4
69.03443	1.6
69.40398	5.2
69.40801	4.1
79.05514	1.7
83.04988	3.5
85.02901	3.9
93.07059	1.4
95.08630	2.8
101.99447	1.3
105.07102	1.6
107.08610	1.8
109.06527	1.9
111.04436	2.3
119.08574	2.0
120.07220	1.5
121.10117	3.1
123.08070	100.0
124.08405	3.4
137.06007	3.6
143.08679	1.6
145.10121	1.6
151.07564	1.6
151.11203	2.7
155.98523	1.4
167.06949	1.5
181.12210	7.6
201.04182	1.5
207.10068	3.3
207.13608	1.6
209.24316	1.5
225.11278	3.3
225.14861	10.8
299.10297	2.1
309.08575	1.6
327.09924	2.6
345.10718	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.7
57.03422	5.1
58.31564	2.6
59.04991	6.4
67.05513	3.0
69.03430	5.2
71.30086	3.6
73.24561	2.5
79.05505	5.6
81.03403	6.6
81.07048	5.8
85.02913	7.8
91.05482	9.9
93.07029	5.0
95.08611	2.8
97.06503	2.9
99.04456	6.0
105.07017	12.1
107.08547	5.1
109.06548	6.2
117.07080	3.4
119.08617	13.0
121.06519	3.5
121.10162	3.2
121.94273	2.5
123.04402	3.2
123.08067	6.3
131.08548	4.8
133.06464	8.2
133.10144	6.7
137.05980	3.1
137.09625	3.9
145.10115	3.6
147.08080	6.0
147.11636	5.8
149.05939	3.5
151.07527	7.1
155.01122	3.6
161.05995	34.9
161.09608	9.9
161.13225	3.2
163.07516	4.0
163.11166	5.8
165.09151	3.5
165.12630	3.0
167.07016	5.5
175.07513	8.1
176.08327	81.0
177.05432	5.5
177.08952	8.5
179.10698	8.3
189.12790	7.8
207.10164	100.0
207.13786	13.7
208.10498	4.3
225.11334	12.6
225.14832	10.4
254.08856	4.1
282.08591	7.7
293.06329	2.9
314.11304	7.5
318.10471	5.0
332.19333	2.9
346.13577	14.1
372.15302	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01865	2.8
57.03437	8.6
58.86143	0.6
59.71735	0.5
61.02929	5.2
63.99818	0.5
68.99792	2.3
69.03434	14.1
69.04547	0.9
69.04944	4.8
71.04977	2.0
73.02919	2.4
75.04472	0.8
81.03416	11.0
83.04951	0.7
85.02905	47.5
86.09753	0.6
87.04457	2.6
91.03939	1.8
95.04967	1.0
97.02892	14.7
98.03697	1.0
99.04443	2.5
103.03941	2.4
103.17879	0.5
109.02879	17.7
111.00806	4.8
111.04437	1.2
115.03950	0.7
117.05473	1.6
123.04443	1.8
126.03137	12.5
127.03927	13.8
129.05516	0.9
141.05463	43.2
142.05759	0.8
145.04970	11.8
154.02618	1.3
155.03406	0.8
163.06018	1.8
166.11975	0.6
167.07022	2.1
169.04964	100.0
170.05286	3.1
183.06538	0.8
211.06003	3.1
227.09114	1.1
243.08644	1.2
244.05887	0.7
252.08591	0.7
253.09048	1.1
261.86810	0.7
377.06613	0.9
405.06122	2.5
405.16513	4.0
406.10806	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.152
Annotation	Flustramine H
Peak:m/z	Relative Intensity
57.98003	1.9
65.03944	2.1
67.05486	2.1
69.03418	2.7
69.85028	8.6
85.02904	2.9
95.04972	2.2
98.22578	2.5
103.73837	2.6
105.06992	2.2
107.04917	2.4
118.97269	2.0
123.04394	6.5
147.04439	3.4
169.04921	6.0
177.05476	2.7
178.05823	3.1
183.60750	1.9
187.02744	3.3
190.96031	1.9
205.03831	4.0
243.06342	2.7
243.12035	14.3
244.05754	3.8
317.11536	2.0
317.15933	2.1
405.05933	5.6
405.15320	100.0
405.20935	84.4
406.10892	10.1
406.15936	4.0
406.21793	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1523
Annotation	Flustramine H
Peak:m/z	Relative Intensity
55.29004	1.3
57.03432	1.3
60.36267	1.2
61.71341	1.2
69.31281	2.4
69.31707	5.4
81.45528	1.2
85.02915	1.4
88.73355	1.2
98.23350	1.4
101.00887	2.2
112.71766	1.2
119.01913	1.5
124.52393	1.1
131.01888	1.4
143.01884	1.6
161.02934	1.6
168.24559	1.2
199.04620	1.6
203.00740	1.2
203.03824	1.8
243.02197	1.4
245.05157	1.4
250.84550	1.2
255.02162	1.2
405.15289	100.0
406.11078	1.9
406.15714	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1906
Annotation	Cochliomycin A
Peak:m/z	Relative Intensity
52.78054	2.1
69.07061	3.2
69.34936	9.4
73.63117	1.7
81.07079	2.0
83.04971	1.9
83.51024	1.5
91.05469	2.5
93.07013	2.0
98.95488	1.6
105.07042	2.5
121.10166	2.4
123.04442	1.8
131.08589	3.0
139.05656	2.0
139.07565	2.0
144.46426	2.0
147.04285	2.1
155.08554	3.0
159.08063	3.2
165.07014	4.6
167.07034	8.7
173.09634	1.9
178.07838	1.6
181.06470	4.5
182.07230	3.3
183.07988	3.3
186.06734	2.2
187.07562	2.6
191.10715	3.2
192.09338	2.2
195.08037	3.7
197.06026	4.7
197.09637	2.7
198.06781	2.8
199.07578	2.9
200.04692	1.9
205.06572	1.9
209.09529	3.3
210.06837	4.5
211.07513	10.8
213.05499	6.8
213.09081	3.3
215.07025	3.2
219.08099	2.6
219.10100	2.4
220.08722	2.9
221.09688	2.8
222.10303	1.8
223.07475	4.0
223.11177	2.4
224.04716	1.8
224.08241	1.7
225.05534	3.4
225.09015	9.0
226.06300	3.2
227.07048	8.7
228.07719	4.6
229.04941	6.0
229.08461	2.9
233.09686	2.5
235.07558	3.7
235.11136	5.2
237.05269	2.9
237.09088	7.5
238.06213	4.0
238.09857	2.7
239.06964	13.6
240.07825	2.3
241.05019	5.1
241.08664	5.0
241.12303	2.4
242.05804	3.7
242.09358	4.9
243.06487	10.7
244.07362	1.9
244.15504	2.4
247.07457	2.9
248.08344	4.0
249.09158	8.9
250.09613	2.0
251.06976	4.3
251.10675	5.2
252.07712	3.0
252.11407	2.7
253.04999	4.5
253.08534	13.9
253.12474	2.2
254.05740	3.3
254.09314	4.1
255.06534	7.2
256.03821	2.5
256.07269	8.6
257.04358	2.2
257.08023	8.5
258.05283	2.8
259.05933	3.0
263.10715	11.7
264.07568	2.1
264.11441	4.8
265.08676	17.4
265.11520	2.9
266.09265	5.1
267.06534	13.8
267.09711	3.8
267.13898	2.9
268.07190	5.3
269.04401	2.3
269.08057	4.7
269.11533	3.5
270.08871	7.0
271.06012	8.4
271.09625	5.4
272.06653	4.8
273.07489	2.8
277.08649	7.0
278.09131	2.4
279.10110	8.8
280.11002	8.7
281.08090	12.1
281.11664	8.8
282.08768	6.5
283.06012	3.8
284.06821	10.1
285.07578	11.3
285.11139	5.0
286.08304	2.9
287.05585	3.4
287.09103	4.8
288.06262	5.1
289.07022	4.6
291.10172	6.8
292.10950	4.6
293.08060	7.5
293.11151	3.7
294.09018	3.7
294.12360	2.0
295.09604	4.7
295.13287	21.3
296.13828	3.5
297.07849	3.2
297.11267	7.9
298.08313	9.1
298.11496	3.2
299.09183	21.4
300.09854	3.3
301.07175	3.5
301.10614	3.8
302.07870	4.3
302.11145	3.3
303.08463	11.4
304.09396	21.2
307.09711	3.3
308.10352	8.5
309.11237	16.0
309.14606	2.9
310.08289	2.5
310.11630	2.1
311.08966	2.7
312.13608	5.0
313.10690	27.9
313.14136	3.5
314.11307	3.0
315.08389	2.4
316.09299	6.1
317.10223	7.3
318.10977	19.3
319.11594	8.0
323.12775	42.7
324.13455	12.6
325.10657	7.4
325.14160	3.5
327.12317	3.2
327.15884	10.8
330.10773	2.2
331.11789	21.0
332.12387	3.8
337.14240	2.7
340.12936	7.0
341.13812	12.2
344.12509	2.3
345.13348	22.9
355.15399	100.0
356.16040	34.3
357.13205	3.8
358.13873	2.1
359.14795	2.2
372.15851	9.2
387.18039	56.0
388.18219	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01875	2.3
57.03435	3.9
65.03935	3.1
69.43503	8.4
75.86805	1.3
78.04712	1.2
79.05498	5.3
81.07063	3.3
85.02896	3.9
91.05481	33.5
93.03440	1.7
93.07016	2.0
94.04152	2.2
95.04966	8.1
96.34573	1.3
97.02901	1.8
99.14464	1.3
103.05479	8.1
105.07011	7.0
106.04126	1.6
107.04950	21.7
109.06519	5.9
115.05453	4.6
117.07018	5.0
119.04942	19.3
121.06509	10.2
122.03607	6.8
123.04409	6.8
123.08117	1.9
125.05962	1.9
128.06248	5.0
129.07014	17.1
131.04924	9.2
131.08556	2.5
133.02844	5.0
133.06480	3.8
135.04456	4.6
135.08025	6.7
136.05223	4.7
137.05974	75.5
138.06242	3.2
145.06549	6.7
145.07545	1.8
146.07249	2.1
147.04510	1.5
147.08009	1.5
148.05167	2.6
149.05988	20.8
149.09625	3.7
150.06728	6.2
151.03903	4.1
151.07536	100.0
152.06204	1.9
152.07913	3.5
153.07048	2.0
157.06506	13.8
157.35014	1.4
158.07211	1.7
159.08080	1.7
160.07550	5.1
161.05974	32.0
161.09644	8.4
162.06454	2.5
163.07538	27.0
163.08887	1.7
165.05632	2.6
165.06987	10.8
165.09116	4.2
166.07765	3.4
167.07060	87.4
167.08539	13.2
174.06743	6.2
175.07524	8.8
177.07016	2.6
177.09102	13.7
178.07759	5.3
179.08531	2.2
180.04233	1.7
181.04976	3.3
181.06331	2.8
181.08618	3.0
181.10127	1.9
182.07254	3.2
183.08063	2.4
187.07613	2.5
189.09100	49.5
190.09464	2.8
191.08545	2.5
192.09409	2.0
193.06502	6.0
193.08522	3.1
193.10175	5.5
194.07253	2.3
195.06453	2.2
195.08070	20.2
196.08817	1.9
197.06053	4.9
197.09727	2.4
203.08653	2.9
205.06447	2.2
206.07188	2.8
207.08257	2.4
207.10153	14.9
208.10435	1.5
209.05997	2.5
209.09676	4.2
209.11723	18.1
210.06783	6.3
211.07532	5.4
212.08252	4.7
219.08131	2.0
221.06035	9.8
221.09549	10.6
222.06664	1.9
223.07600	7.4
223.11226	2.1
224.08414	3.3
225.09167	9.5
227.07181	2.7
227.10663	21.0
227.12810	12.8
228.10892	2.2
231.08278	1.8
235.07451	2.6
237.09064	4.2
238.06209	5.8
238.09802	2.1
239.06990	4.7
239.10597	2.7
240.07820	4.2
241.08617	3.9
243.10034	1.5
248.08511	1.6
249.09215	6.7
251.10547	1.7
253.08600	16.6
253.12170	14.2
253.31297	1.5
254.09286	3.9
255.06477	2.3
255.07474	1.9
255.10165	19.9
256.07181	1.4
256.10526	2.0
265.08694	1.8
266.09375	1.7
267.10165	5.2
269.08099	4.7
269.11716	3.0
270.08984	2.9
271.09607	3.1
272.10358	8.0
281.08820	1.5
281.11606	7.7
284.10379	2.7
285.11185	15.2
286.11938	5.5
287.09772	2.8
287.12793	35.4
288.13184	3.7
298.11987	2.8
299.12735	2.3
301.10641	2.1
301.14337	2.3
312.13190	1.8
313.14279	19.8
314.14487	1.7
316.12970	4.9
330.14597	18.1
331.15286	12.0
355.15167	1.9
359.14688	1.7
376.21185	2.0
382.28052	1.4
387.17917	1.8
388.21234	2.7
405.18256	1.6
416.98764	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.3
55.01876	1.6
55.86731	0.7
57.03437	3.6
65.03943	1.7
70.86734	1.5
71.04973	0.8
75.04478	0.8
79.05492	3.7
81.07085	1.6
91.05483	30.0
91.91572	0.8
93.07072	1.2
94.04191	1.4
95.04971	9.2
103.05473	4.7
105.07024	5.0
107.04953	6.7
109.06535	3.0
111.04429	1.3
115.05462	3.7
117.07034	3.6
119.04943	18.1
119.08604	1.0
121.06503	8.5
122.03651	6.5
123.04446	4.3
125.05942	1.1
128.06201	4.2
129.07011	13.5
129.07889	1.2
131.04927	7.6
131.08580	1.9
133.06477	4.0
135.04407	2.4
135.08055	4.6
136.05206	4.4
137.05978	70.5
138.06329	2.1
141.05431	0.8
141.06985	1.0
143.04936	1.9
143.08539	0.8
144.05746	1.2
145.06509	3.3
146.03656	1.7
147.04424	2.0
147.08052	1.9
148.05164	1.4
149.05989	11.9
150.06750	3.5
151.03928	3.6
151.07544	100.0
152.06248	2.6
152.07896	3.3
153.06969	1.3
155.06013	1.0
157.06470	13.9
159.04488	0.9
159.08032	1.3
160.05237	1.3
161.05968	14.3
161.09596	3.8
162.06784	1.6
163.07559	21.2
165.07002	8.9
165.09149	4.4
166.07739	2.9
167.07054	9.0
167.08578	13.7
167.39577	0.8
169.06519	1.7
174.06766	8.1
175.07565	7.8
177.05627	1.1
177.07047	1.9
177.09096	4.3
178.07771	4.4
179.07114	1.6
179.08582	2.7
181.06519	3.5
181.08464	1.2
181.10094	1.5
182.07281	3.7
183.08040	2.1
187.07570	2.0
189.09116	38.2
190.09402	1.8
191.07086	1.1
191.08652	2.2
191.10704	1.5
192.09325	1.4
193.06560	5.6
193.08540	2.1
193.10071	7.4
194.07272	2.9
195.08075	20.1
195.10017	1.5
196.08722	3.5
197.06044	4.0
197.09607	1.4
199.07529	1.3
201.09027	0.9
202.07764	1.3
203.08603	3.0
205.06723	1.3
205.08580	1.2
206.07285	1.7
207.08099	2.0
207.10182	5.7
208.08760	1.1
209.06042	2.3
209.09668	3.2
210.06752	5.8
210.15170	0.9
211.07584	5.5
212.08279	4.1
213.09082	0.9
219.08066	1.7
220.08603	0.9
221.06027	9.4
221.09570	12.5
222.06657	2.5
222.10373	1.1
223.07553	10.0
224.08328	3.9
225.05583	1.5
225.09131	11.3
225.11266	2.0
227.07091	2.2
227.10661	20.7
228.10887	1.1
229.08614	0.8
234.06709	1.1
235.07481	1.6
235.11208	1.2
236.08188	0.9
237.09096	4.4
238.06314	5.0
238.09871	2.6
239.07043	2.5
239.10612	1.8
240.07893	4.7
241.08582	3.3
241.12291	1.7
242.09068	1.1
249.09094	6.5
250.09921	1.3
251.10564	0.9
252.07874	1.8
253.08629	14.4
253.12268	13.7
254.09256	3.0
254.12607	0.9
255.06622	1.3
255.07195	1.6
255.10165	22.8
256.10587	2.1
263.10715	1.9
265.08646	1.9
266.09451	1.4
267.10165	7.2
269.08182	4.1
269.11649	3.2
270.08911	2.3
271.09641	3.3
272.10422	7.4
281.11673	8.4
282.12091	1.1
284.10376	2.0
285.11212	17.0
286.11856	5.2
287.12766	41.5
288.13144	3.4
297.11349	1.9
298.11984	2.8
299.12866	1.8
301.14392	3.6
311.12726	1.3
312.13504	1.2
313.14322	22.3
314.14688	1.8
316.13089	6.1
323.12671	1.0
325.14780	1.0
329.13840	1.3
330.14600	20.0
331.15308	12.7
355.15567	1.1
359.14786	1.4
372.15732	1.1
387.18021	1.3
405.18988	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31190	1.3
57.03432	3.4
59.14613	1.1
69.03445	1.5
71.30559	1.9
78.04706	1.4
79.05488	5.5
81.07048	4.8
82.89285	1.3
91.05485	27.7
93.07055	2.5
94.04186	3.4
95.04953	8.2
95.08643	1.2
98.76496	1.2
98.82285	1.3
102.22117	1.2
103.05475	5.8
105.07033	7.4
107.04934	9.1
109.06506	3.0
111.04430	1.4
115.05438	3.9
117.07030	4.6
119.04955	18.4
121.06519	5.6
122.03661	5.9
123.04448	3.0
123.08079	1.5
125.06033	1.8
128.06212	4.6
129.07030	14.6
131.04930	9.3
131.08586	2.4
133.06494	3.0
133.10126	2.2
134.10504	1.9
135.04391	2.5
135.08069	4.5
136.05205	4.1
137.05978	71.0
138.06332	3.3
143.04935	1.8
143.08575	2.0
145.06470	5.6
147.04416	2.9
149.05980	13.5
151.03946	3.5
151.07542	100.0
152.06229	3.4
152.07916	4.2
153.06969	1.7
157.06464	13.0
158.07141	1.3
161.05977	15.1
161.09610	6.4
162.06815	2.1
162.09998	2.5
163.07542	21.5
165.07002	8.3
165.09134	4.2
166.07729	2.9
167.07045	21.2
167.08560	11.2
174.06770	8.3
175.07544	10.3
177.09129	4.1
178.07764	3.5
179.07101	1.8
181.06459	4.2
181.08568	1.3
181.10060	1.8
182.07248	1.5
189.09100	38.5
191.10687	2.8
192.09343	1.8
193.06476	5.7
193.08580	5.6
193.10023	6.6
194.07272	2.0
195.08072	18.6
195.09924	2.4
196.08681	2.0
197.05984	4.3
197.09674	1.4
202.07814	1.4
203.08771	2.0
207.08354	2.2
207.10193	5.3
209.05913	2.6
209.09653	3.4
210.06865	8.3
211.07492	5.1
212.08438	3.3
219.08197	1.5
219.10284	1.4
220.08870	2.4
221.06076	7.7
221.09615	8.7
223.07555	10.4
224.08250	4.9
225.05560	2.4
225.09177	8.8
225.11096	2.8
226.11676	2.6
227.07101	3.2
227.10643	21.2
228.10995	2.5
231.07962	1.4
237.09137	4.4
238.06250	3.7
238.09912	1.6
239.07002	3.5
239.10620	1.5
240.07797	5.4
241.08617	3.7
249.09094	4.8
250.09825	1.6
251.10535	1.5
252.07933	1.6
253.08652	15.5
253.12276	12.1
254.09245	3.3
255.10168	21.2
256.10541	1.9
257.07980	2.1
265.08475	2.6
267.10175	5.3
269.08066	4.4
269.11609	2.0
270.09003	1.5
271.09689	1.8
272.10394	9.7
281.11710	7.6
284.10349	1.7
285.11267	16.1
286.11859	3.7
287.12759	40.4
288.13058	2.8
295.13229	1.5
298.12180	1.9
299.12518	2.4
301.14340	3.1
313.14349	19.3
314.14658	1.9
316.13034	5.1
323.12531	1.7
329.13870	2.5
330.14639	24.0
331.15445	13.3
355.15359	3.1
405.19220	2.2
411.38986	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81921	1.7
55.05495	2.7
57.02405	1.8
67.05508	2.1
69.04555	3.2
69.04961	12.0
79.05478	3.1
81.07058	2.7
83.04982	5.5
84.70158	1.5
91.05436	4.4
93.07058	2.4
95.08607	3.5
99.04471	2.2
99.08138	2.4
105.07034	5.6
108.27563	1.4
109.06554	2.0
113.54549	1.6
117.07053	1.7
119.08597	2.0
121.10166	1.5
128.06215	1.9
131.08577	2.5
133.10150	2.5
141.06995	2.9
143.08522	3.0
145.06508	2.0
145.10117	3.3
150.35945	1.9
157.10114	2.5
158.07286	2.5
159.08087	3.6
165.07030	2.5
169.10114	1.5
173.09669	3.7
184.05183	3.6
185.05936	2.0
187.07677	1.5
195.11794	2.1
196.05112	1.7
197.06004	2.9
198.06682	2.6
199.07574	4.3
205.12296	1.8
209.09680	3.4
211.07578	4.3
211.11053	1.9
212.08354	2.7
213.05415	4.4
214.06223	2.3
215.06975	1.8
219.10150	1.9
220.08810	2.0
221.09595	3.3
221.13170	2.0
223.07452	1.8
223.11327	3.3
225.05452	2.5
225.08983	2.6
226.06404	3.2
227.07094	10.7
227.10732	2.2
228.07816	2.4
229.04939	5.6
229.08501	3.7
230.05626	1.7
233.11658	3.6
234.12445	2.8
235.11148	4.2
237.09172	6.7
238.06136	2.5
239.07013	1.7
239.10735	1.9
240.07809	3.4
241.04994	5.5
241.08562	5.0
242.05756	1.9
242.09229	2.4
243.06488	4.0
244.07263	4.8
245.08141	1.8
248.08243	2.5
249.09145	4.6
250.09937	2.0
251.06937	4.4
251.10716	2.0
252.07773	2.5
252.11623	3.4
253.08665	6.2
254.05553	1.9
255.06552	9.6
255.10066	2.3
256.07199	8.9
257.08017	6.0
259.06046	4.7
259.09686	2.4
262.09885	2.3
263.10672	8.6
264.07816	1.8
264.11508	1.9
265.08582	12.3
265.12372	2.3
266.09238	4.7
267.06552	3.4
267.10138	4.7
267.13474	1.5
269.08081	4.3
269.11551	2.3
270.08789	2.6
271.06113	2.6
271.09656	4.1
272.06763	4.5
273.07516	9.9
277.08578	3.4
277.12326	1.7
278.09277	2.9
279.06567	3.9
279.10165	5.8
280.10837	9.8
281.08063	7.0
281.11740	7.2
282.08865	1.7
283.09637	4.8
284.07092	1.9
285.07620	8.0
285.11060	2.6
287.09161	15.9
288.09897	15.7
289.10464	1.9
291.10071	6.2
292.10843	7.8
293.08127	11.0
293.11658	5.9
294.08832	6.9
294.12088	1.9
295.09763	4.3
295.13303	20.2
296.13974	3.7
297.07843	2.9
297.11194	6.3
299.09189	7.3
300.09711	1.7
301.10660	3.4
302.07925	4.0
307.09747	2.5
308.10324	12.0
309.11182	14.3
311.09094	3.9
312.09952	2.6
312.13480	3.9
313.10651	5.4
314.11505	3.4
316.09283	2.6
317.10153	11.5
318.10956	2.7
319.11737	17.7
320.12012	2.4
323.12775	36.6
324.13452	13.6
325.10580	6.7
325.14297	4.0
326.11310	2.2
327.15829	10.9
331.11856	2.6
332.12213	2.3
337.14371	4.7
339.12051	2.0
340.13089	5.1
341.13782	13.9
345.13406	3.7
355.15399	90.7
356.16077	50.2
357.12814	2.1
357.16656	6.0
372.15640	3.4
373.16333	2.4
387.18018	100.0
387.22516	3.5
388.18420	10.6
405.24280	15.6
406.24411	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.191
Annotation	Cochliomycin A
Peak:m/z	Relative Intensity
57.07092	2.8
59.92723	1.5
65.03961	2.0
67.05512	2.5
69.03456	2.1
69.07076	5.5
69.13733	11.8
70.06595	14.3
72.08141	2.3
78.04719	2.2
79.05468	2.8
81.07066	2.1
83.04990	2.2
83.08620	1.5
86.09726	3.4
87.15911	1.4
88.07664	1.7
91.05490	5.6
95.04961	15.3
103.05473	2.4
105.03403	2.2
105.07039	11.1
106.04209	4.0
107.04962	5.5
107.08588	2.2
109.06538	2.1
115.05535	1.5
115.39383	1.5
117.03495	1.7
117.07001	2.2
119.05004	2.0
119.08533	2.1
121.06495	6.0
123.04459	10.5
123.08104	2.2
124.05214	2.2
128.65315	1.5
130.07816	2.9
131.08578	2.4
132.10226	5.1
133.06499	3.0
134.03639	2.4
135.08054	9.9
136.22466	1.6
136.52899	1.7
137.05978	3.8
137.80399	1.5
139.07568	2.5
140.04686	4.2
141.05464	3.7
143.08586	2.8
145.06508	1.8
145.10155	5.0
146.11816	3.2
147.04373	1.8
151.03908	2.6
152.04713	6.6
155.07072	9.1
155.08415	2.7
158.07301	8.2
159.07942	2.0
161.06056	1.6
163.07556	3.6
166.06288	5.3
167.07047	100.0
168.07378	3.3
171.08080	3.2
173.09631	13.9
180.07898	2.4
181.04977	9.4
181.08607	38.6
181.10143	2.7
182.08844	1.5
183.06540	13.1
191.10614	2.7
195.10159	19.7
201.09109	51.3
202.09596	4.3
205.08635	4.0
205.12354	1.9
211.09718	1.9
218.09552	1.7
219.10262	4.3
223.13379	1.8
233.11736	35.3
251.12784	19.5
253.90344	1.7
261.11172	1.7
300.28937	22.3
344.31656	8.7
355.14914	2.3
387.18109	4.5
406.35284	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1908
Annotation	Cochliomycin A
Peak:m/z	Relative Intensity
54.45242	1.5
63.36400	1.5
67.05491	1.6
70.58394	4.6
79.05499	1.5
81.07047	6.0
83.04943	1.7
91.05479	2.5
93.07076	2.0
95.08599	1.9
105.07018	2.0
105.64598	1.4
109.06496	4.6
115.05450	1.5
117.06980	1.8
119.08556	3.5
121.06507	1.6
137.05989	7.3
141.06972	1.9
143.08528	1.8
145.06490	2.7
145.10074	1.9
147.89877	1.5
155.08632	4.1
157.10098	2.3
159.08080	1.7
163.07639	1.7
169.06497	1.7
170.07130	1.7
173.09630	4.2
174.65581	1.4
174.90283	1.7
175.07457	2.0
179.08586	2.0
181.10100	3.5
183.07979	2.8
183.11578	2.3
185.09554	1.8
187.07462	1.6
192.09364	2.3
193.10123	2.0
195.08121	3.4
195.11627	1.7
196.05092	2.0
197.06078	2.2
197.09557	1.8
197.13194	1.9
198.06673	2.5
199.07524	4.0
201.09111	2.0
205.10159	1.9
205.12288	2.5
207.11700	3.2
209.09671	4.4
210.06670	1.9
211.07568	4.0
212.08325	2.4
213.05502	1.9
215.06708	1.7
215.10825	1.8
219.08066	2.1
221.09584	2.5
223.11111	2.2
225.09102	3.3
225.12743	1.8
226.06245	3.3
227.06993	5.5
229.05020	1.7
233.11734	2.6
234.06671	2.1
235.07603	3.3
235.11172	4.7
237.05470	2.3
237.09076	6.2
238.06203	2.0
238.09883	1.6
239.07011	3.0
239.10677	1.8
241.04987	5.1
241.08521	2.8
243.06300	2.1
248.08238	5.3
249.09062	7.6
251.07040	6.7
251.10657	3.5
252.08008	2.0
253.08575	4.2
253.12163	1.8
254.05525	1.8
254.09482	1.9
255.06572	6.1
255.10139	2.9
256.07333	5.7
257.08194	3.7
259.05969	3.4
261.09189	2.9
262.09787	2.1
263.07108	1.7
263.10583	3.1
264.07843	2.7
264.11270	2.2
265.08603	12.0
265.15796	2.8
266.09372	5.1
267.06430	3.9
267.13641	2.5
268.07144	2.7
269.08090	2.0
269.11725	2.3
271.09637	4.9
276.07648	2.2
277.08688	7.0
278.09152	2.2
279.06729	2.0
279.10120	5.3
280.07593	2.0
280.10815	7.6
281.08215	3.0
281.11661	7.4
283.09531	3.2
284.06784	4.1
285.07520	9.1
286.08072	1.9
287.09161	11.9
291.10196	4.8
292.10892	2.6
293.08069	10.0
293.11627	5.5
294.08820	5.9
294.12064	2.8
295.09637	6.2
295.13284	14.2
296.13824	3.2
297.11249	5.9
298.11801	2.1
299.09052	7.3
300.09738	3.1
301.10593	3.0
302.07849	3.5
307.09659	2.2
308.10532	7.9
309.11221	13.3
310.11655	2.6
311.09219	3.3
312.13483	6.2
313.10666	3.1
314.11343	4.3
317.10217	7.2
319.11850	2.1
322.11893	2.6
323.12769	30.1
324.13434	9.9
325.10556	7.5
325.14236	4.4
326.11343	3.0
327.15771	3.0
339.11926	1.8
340.13138	11.4
341.13739	16.4
347.87268	1.6
355.15396	100.0
356.16098	53.2
357.16748	3.6
372.15747	3.8
387.17972	63.1
388.18170	7.0
405.20245	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.01871	1.5
55.05510	7.8
65.03963	1.3
67.05508	9.2
69.07099	1.7
69.07490	6.9
79.05497	4.2
81.07044	5.0
83.04485	1.3
83.04980	21.5
84.92431	0.8
88.47543	0.8
91.05479	8.7
93.07041	13.8
95.04965	2.6
95.08611	15.6
97.06544	1.7
98.22614	1.3
99.04453	0.8
105.04494	1.1
105.07034	9.3
107.08584	4.7
108.09009	0.7
109.06517	2.4
109.10178	1.4
111.04437	11.9
111.08078	6.0
113.06017	0.8
115.05444	2.0
117.07009	4.3
119.08577	5.3
121.06514	2.7
121.10160	2.3
123.08037	3.6
128.06213	3.0
129.07016	5.7
131.08546	5.1
133.10165	3.7
135.08031	1.4
135.11641	1.1
139.07541	1.6
141.06979	3.1
141.09074	1.8
142.07764	5.6
143.08534	5.4
144.09378	1.4
145.06483	1.0
145.10106	3.3
147.11699	1.0
149.06062	1.0
150.05762	0.7
152.06183	0.9
153.07002	2.9
154.07733	1.9
155.07336	1.6
155.08549	23.1
156.09065	1.3
157.06451	1.1
157.10117	10.7
159.08084	1.5
159.11728	3.7
161.09637	2.1
165.07022	3.4
166.07811	1.5
167.08594	3.7
168.09357	4.4
169.10135	12.6
171.08066	1.3
171.11682	1.7
172.08786	0.8
173.09598	1.4
175.11247	0.8
178.07820	2.9
179.08519	5.1
180.09265	2.2
181.10127	6.7
183.08075	2.5
183.11694	3.1
185.09499	1.1
187.11214	1.8
190.07843	1.2
191.08591	6.2
192.09343	8.8
193.10121	9.4
194.10782	2.5
194.39944	0.7
195.07996	3.7
195.11671	5.7
196.12302	0.9
197.09602	1.4
197.13249	1.2
199.07532	1.7
199.11151	1.5
201.09096	2.6
202.07851	1.8
203.08588	6.4
204.09306	5.5
205.08427	0.8
205.10132	22.0
206.10889	15.4
207.11682	16.9
208.12379	2.5
209.09567	2.2
209.13208	2.7
211.11275	3.5
211.14713	1.5
213.09114	13.5
214.09656	1.5
215.08548	1.6
216.09280	2.2
217.10143	10.5
218.10884	6.6
219.11688	34.0
220.12390	9.0
221.09775	1.2
221.13249	13.4
222.13850	2.3
223.11238	3.4
223.14757	4.5
225.09001	1.2
225.12685	2.4
227.10707	1.4
227.41144	0.8
229.10168	3.1
230.10881	4.9
231.11655	11.0
232.08865	1.5
232.12451	12.1
233.09682	1.1
233.13245	15.1
234.13885	3.9
235.14825	4.9
236.15372	1.0
237.08969	1.5
237.12772	3.9
238.13211	0.9
239.10628	1.3
243.11676	3.3
244.12448	2.3
245.13258	21.8
246.10281	0.8
246.13867	5.9
247.11180	2.9
247.14801	17.9
248.11784	0.7
248.15326	2.8
249.09163	1.3
249.12729	2.3
249.16296	5.6
250.09889	2.6
250.13509	1.3
251.10669	5.4
251.14317	0.8
253.12102	0.9
256.12564	1.4
257.13290	2.9
258.10513	0.9
258.14023	1.0
259.11188	1.3
259.14844	4.0
260.12100	1.1
260.15512	2.1
261.12686	1.5
261.16473	4.9
262.17065	4.3
263.10803	4.0
263.14252	2.1
263.17828	0.8
264.11423	4.5
264.14578	1.0
265.12274	6.9
265.15723	4.1
266.13007	1.6
267.13751	1.4
267.17560	1.0
269.13089	1.4
270.14078	1.2
271.14758	2.9
273.12726	3.3
273.16229	2.0
275.10461	0.9
275.14169	0.9
276.11432	1.5
277.12259	7.9
277.15598	1.1
278.12894	3.0
278.45404	0.7
279.13687	3.8
279.17438	0.6
285.16507	0.9
287.14166	1.0
288.14999	1.4
289.15668	0.8
290.12927	1.0
291.13791	14.0
291.17194	1.4
292.14325	2.4
293.15396	4.7
295.16946	1.8
299.17712	0.8
305.15430	3.4
306.16110	7.6
307.16769	2.0
317.15414	0.9
331.16907	1.8
332.17615	0.9
341.18884	1.7
345.18198	1.7
359.20038	4.8
361.21613	66.7
362.21829	8.2
369.18347	1.5
387.19473	44.3
388.19714	5.4
405.20514	100.0
406.20871	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.5
53.03947	4.2
55.01877	3.6
55.05515	5.4
57.07085	1.3
59.05007	1.3
65.03939	3.1
67.05508	7.1
69.03429	16.0
69.07082	5.1
71.05000	1.2
71.31522	1.0
79.05498	34.0
81.07060	66.9
82.07391	1.6
83.04980	3.3
85.06536	2.4
91.05483	35.0
92.05819	1.9
93.07049	19.5
95.04980	8.0
95.08609	8.1
97.02915	2.6
97.06535	3.5
103.05488	3.6
105.04534	1.2
105.07032	31.8
107.04957	4.1
107.08599	12.5
109.02911	1.3
109.06522	92.8
109.10172	1.9
110.06867	2.9
110.15102	0.8
111.04461	2.8
111.08064	2.1
115.05443	7.6
116.06242	3.0
117.07025	20.4
119.04987	1.0
119.08583	18.3
121.06518	12.6
121.10106	6.0
123.04459	5.1
123.08059	6.1
125.06002	1.3
128.06212	18.6
128.07098	1.5
129.07005	35.1
130.07878	5.7
131.04866	1.5
131.08568	32.0
132.55200	0.9
133.06480	7.0
133.10104	6.4
135.04431	3.2
135.08058	37.4
137.02390	2.2
137.05978	54.5
137.09598	1.7
139.07568	2.4
141.07002	14.6
142.07787	18.6
143.08566	34.4
144.05792	1.3
144.09190	1.8
145.06512	7.8
145.10115	18.9
146.07286	2.0
147.08051	24.4
147.11703	2.6
148.08746	1.8
149.05971	1.1
149.09630	14.0
151.07527	2.5
152.06209	2.0
153.06963	9.6
154.07802	9.3
155.08556	61.7
156.09348	7.3
157.06512	2.3
157.10135	26.7
158.07278	4.0
159.08046	11.8
159.11729	3.6
160.08826	3.8
161.06029	1.1
161.09651	6.2
163.07565	4.6
165.05630	1.8
165.06987	16.2
166.07761	6.5
167.08583	21.4
168.09369	6.6
169.06505	1.6
169.10135	21.1
170.10849	2.9
171.08049	15.6
171.11671	9.0
172.08882	7.3
173.09625	34.4
173.13312	1.1
174.10268	2.8
175.07507	2.3
175.11221	7.9
178.07756	6.1
179.07053	9.9
179.08592	27.7
179.10045	1.7
180.09314	11.8
181.06525	3.4
181.10115	16.4
182.07376	1.2
182.10832	5.8
183.08075	6.7
183.11678	16.0
184.08871	1.9
184.12407	3.0
185.09636	15.9
185.13243	9.3
187.07527	2.8
187.11185	17.7
188.08357	2.3
189.09131	8.6
191.07076	2.1
191.08618	5.1
192.09326	12.6
193.10121	10.9
194.10928	16.3
195.08054	7.5
195.11678	13.7
196.08878	4.4
196.12405	3.0
197.09625	11.4
197.13243	14.7
198.10399	4.7
198.13654	1.3
199.11180	7.6
199.14824	15.2
201.09094	3.7
201.12790	1.3
202.07773	2.2
203.08546	2.4
203.10701	3.4
204.09367	2.5
205.10118	4.5
206.10802	6.6
207.08116	2.3
207.11697	24.2
208.08850	3.2
208.12195	3.2
209.09793	7.7
209.13258	32.6
210.10384	8.4
210.13664	2.5
211.07649	2.1
211.11195	15.9
211.14713	2.6
212.11923	4.3
213.09163	3.5
213.12741	9.7
215.08659	2.3
216.09381	2.9
217.08417	1.3
217.10214	4.2
218.10829	2.9
219.08073	1.3
219.11687	4.1
220.08841	1.6
221.09642	3.9
221.13214	9.3
222.10498	3.4
222.14032	1.8
223.11176	16.8
223.14824	3.5
224.11766	2.1
225.09207	2.7
225.12747	28.7
226.13332	2.7
227.10687	4.1
227.14307	86.8
228.14696	6.3
229.10120	2.8
229.12302	2.4
230.10826	2.9
231.10010	18.0
232.08684	1.2
232.12524	1.9
233.09566	2.8
233.13269	3.4
234.10382	2.8
235.11140	4.6
235.14790	1.4
236.11699	1.2
237.12802	6.1
239.10698	3.0
239.14368	5.5
240.15073	1.9
241.10170	1.5
241.12305	3.2
243.11678	3.3
244.12544	1.6
245.09639	2.0
245.13223	3.8
246.10333	2.2
247.11244	4.0
247.14853	2.1
248.12001	2.5
249.09113	1.0
249.12772	6.8
250.13443	2.2
251.10611	2.2
251.14319	5.4
253.12357	2.6
253.15802	1.1
255.11617	2.7
256.12341	2.5
257.11615	2.6
258.10413	1.1
259.11224	5.6
259.14813	3.2
260.12143	1.0
260.15723	1.1
261.12717	3.9
261.16339	1.2
262.13486	1.3
263.10764	2.0
263.14377	5.5
264.14835	1.6
265.12314	2.4
267.13934	5.4
268.14682	5.2
269.11548	5.7
271.11365	2.0
271.14856	3.6
273.12805	5.7
273.16177	1.9
274.13507	3.3
275.10983	1.7
275.14294	4.1
275.17450	1.0
277.12405	1.8
277.15915	2.0
281.15616	4.3
283.11200	2.7
283.14691	2.0
284.11841	1.9
285.12592	1.8
286.13440	2.4
287.14276	3.2
288.15054	1.8
289.12534	1.8
289.15939	4.0
289.19559	1.0
290.16452	1.9
291.13882	4.2
291.17325	1.3
293.11414	1.1
295.13388	2.2
296.12021	1.1
297.12567	2.1
298.13531	1.4
298.16870	1.0
299.14322	4.9
300.15036	1.6
301.12625	1.5
301.15933	3.4
302.16400	1.2
303.14053	1.4
303.17484	2.6
305.15408	1.7
307.17007	1.1
309.14810	10.6
311.14359	3.4
312.15070	2.0
313.15906	5.8
313.19171	1.7
315.14056	1.7
315.17593	1.4
316.14709	1.2
317.15454	2.8
317.19028	2.3
326.16626	2.0
327.16010	3.5
329.15433	3.1
331.16998	2.3
331.20544	2.7
333.14905	1.7
340.14520	1.2
341.19025	6.1
342.19537	1.2
343.20673	3.5
345.18500	2.1
347.16299	1.5
351.16507	1.5
359.16467	1.7
359.20105	7.8
360.20612	1.3
361.21765	3.8
363.19711	1.5
369.18524	5.6
377.17337	1.2
377.21155	8.3
387.19543	21.5
388.19891	2.4
405.20636	100.0
406.20984	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.01869	2.7
55.05511	4.0
57.03421	0.8
65.03932	1.7
67.05507	5.1
69.03432	12.7
69.07060	4.5
69.14899	1.5
69.15300	5.4
71.04994	1.7
77.03939	1.4
79.05497	27.0
79.05961	1.3
81.07059	74.4
81.87369	0.7
82.07401	1.2
83.05008	1.8
83.08623	0.9
85.06535	1.3
91.05483	27.6
92.05834	1.0
93.07047	18.5
95.04974	6.0
95.08606	7.9
97.02901	3.0
97.06533	2.4
103.05488	2.3
105.04551	1.2
105.07034	26.9
106.07348	0.8
107.04973	2.4
107.08594	10.3
109.02910	1.1
109.06523	76.0
109.10171	1.9
110.06853	1.5
111.04454	3.0
111.08111	1.2
111.71857	0.7
113.02351	1.4
115.05443	8.2
116.06239	2.3
117.07021	21.7
119.04939	2.2
119.08590	15.3
121.06516	8.6
121.10130	7.0
123.04444	3.9
123.08082	4.2
125.05961	2.1
128.06218	16.0
128.07094	1.2
129.07016	27.6
130.07814	5.5
131.04947	1.5
131.08571	26.8
132.08904	1.6
133.06482	4.5
133.10130	5.5
135.04370	1.9
135.08051	31.1
135.09088	1.7
137.02359	1.9
137.05978	66.9
137.09641	1.2
138.06374	2.7
141.06987	16.2
142.07793	11.8
143.08566	30.0
144.05699	1.6
144.09171	1.3
145.06479	6.1
145.10138	15.5
146.07300	1.9
146.10455	0.8
147.08064	19.9
147.11714	2.3
148.08765	1.4
149.05991	1.4
149.09639	8.9
149.87392	0.8
151.07570	2.1
152.06242	1.5
153.06987	9.5
154.07762	9.3
155.08557	62.0
156.09308	6.1
157.06499	4.1
157.10132	27.3
158.07257	3.4
158.10713	1.1
159.08032	9.3
159.11687	4.6
160.08841	2.3
161.05948	2.1
161.09662	6.0
163.07562	5.1
165.05515	2.5
165.06981	14.1
166.07779	6.2
167.07120	0.6
167.08557	18.4
168.09384	4.9
169.06488	2.4
169.10129	18.5
170.07231	0.8
170.10886	1.7
171.08095	6.2
171.11681	8.2
172.08841	4.1
173.05930	1.2
173.09627	38.6
174.06757	1.0
174.10165	2.9
175.07594	2.0
175.11188	6.8
177.25797	0.9
178.07724	4.4
179.07037	6.7
179.08572	25.0
180.09349	9.1
181.06520	1.9
181.08577	1.5
181.10109	14.4
182.07300	1.7
182.10846	3.7
183.08076	5.4
183.11682	12.8
184.08900	1.6
184.12352	2.8
185.09633	13.9
185.13242	8.1
186.10318	1.2
187.07555	1.2
187.11194	15.7
188.08238	1.5
188.11426	1.0
189.09113	8.4
191.07002	2.8
191.08592	4.9
191.10248	0.8
192.09343	14.9
193.10132	8.9
194.07365	0.9
194.10921	14.4
195.08070	8.6
195.11667	13.5
196.08846	2.7
196.12489	1.8
197.09602	13.1
197.13234	11.2
198.10384	3.9
199.07518	2.3
199.11227	4.8
199.14812	11.2
201.09119	2.3
201.12813	1.7
203.08601	2.6
203.10678	4.6
204.09372	1.7
205.10175	3.5
206.10887	4.0
207.08147	2.2
207.11700	25.4
208.08817	2.6
208.12328	1.6
209.09677	6.8
209.13231	24.0
210.10400	6.8
210.13676	1.8
211.07771	1.1
211.11177	13.6
211.14830	2.9
212.08382	1.2
212.11980	4.3
213.09099	2.9
213.12695	6.5
215.08638	2.1
216.07646	1.1
216.09450	1.5
217.10205	2.9
218.10851	2.0
219.08163	1.7
219.11755	4.4
220.08859	2.1
220.12410	1.3
221.06158	0.9
221.09618	3.4
221.13226	10.0
222.10460	2.1
222.14044	2.4
223.11192	12.8
223.14749	1.8
224.11832	2.4
225.09132	2.1
225.12747	25.5
226.13350	3.3
227.10660	2.6
227.14307	67.4
228.14664	5.7
229.08282	1.4
229.10219	1.8
229.12152	1.5
230.10909	2.7
231.10004	15.2
231.12013	1.3
232.08672	1.1
232.12498	1.7
233.09654	3.0
233.13193	2.0
235.11124	5.8
235.14751	1.3
236.11893	1.9
237.09235	1.1
237.12729	6.7
238.13452	1.3
239.10701	2.2
239.14278	7.8
240.15054	3.0
241.12253	3.1
243.11847	1.7
244.12477	1.8
245.09602	1.7
245.13269	2.9
246.10277	2.0
246.13881	1.3
247.11205	3.1
247.14821	1.8
248.11971	1.3
249.12819	7.8
250.13454	3.6
251.10677	2.4
251.14359	4.1
252.11328	1.1
253.12231	2.5
255.11763	1.1
255.14003	1.2
256.07367	1.1
256.12552	1.7
257.11652	1.6
259.11166	3.2
259.14819	2.4
260.11948	2.2
261.12756	4.3
263.10709	2.7
263.14328	3.3
265.12256	2.2
265.15735	0.9
267.13846	5.6
268.12244	1.3
268.14606	9.4
269.11499	5.8
270.14233	1.4
271.11035	1.2
271.14828	2.1
272.11945	1.4
273.12717	3.4
273.16434	1.5
274.13327	1.2
275.11484	0.9
275.14252	4.2
276.14957	0.8
277.12228	2.1
277.15894	3.0
279.13968	1.2
281.08521	1.0
281.11624	1.8
283.11060	1.2
283.14651	1.0
284.11771	1.2
285.07764	1.1
285.12631	2.2
285.16302	1.2
287.09283	0.9
287.14291	2.1
288.10104	1.2
288.15027	1.4
289.12524	1.0
289.15894	3.1
290.16562	1.6
291.13699	1.2
292.10843	1.0
293.08029	1.3
295.13409	3.1
295.17053	1.0
297.12769	1.7
298.13461	1.4
298.16983	0.9
299.14273	3.1
299.17654	1.3
300.15012	1.1
301.12476	1.6
301.15915	2.5
303.13797	2.1
303.17233	1.7
305.15628	1.0
308.10352	1.8
308.17740	1.5
309.11502	1.1
309.15045	2.3
311.14383	1.9
312.14700	1.1
313.15860	3.5
313.19238	1.2
315.13715	1.6
315.17273	1.0
316.18192	1.4
317.15463	1.8
317.18762	1.4
319.11896	1.0
323.12695	4.0
323.17950	1.3
324.13589	1.6
326.16794	2.1
327.17157	1.1
328.18045	1.1
329.15259	1.7
331.17056	1.3
331.20642	2.6
333.14923	1.0
339.13800	1.2
341.14822	1.2
341.18872	6.5
341.22571	1.1
343.20670	3.2
344.17648	1.2
345.18414	1.9
347.16309	1.7
351.17258	1.7
355.15344	7.9
356.16095	4.7
359.16214	1.7
359.20053	8.8
360.20630	1.0
361.21640	2.4
369.18494	6.1
370.19092	1.4
372.16406	0.9
377.17273	1.2
377.21231	8.2
387.19421	24.3
388.19431	2.8
405.20584	100.0
406.20935	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
53.06818	0.3
55.01860	0.3
55.05507	3.4
65.03931	1.0
66.04717	0.6
67.05488	0.7
69.26901	0.7
69.27312	1.5
75.04491	0.5
77.03916	0.6
78.04710	3.8
79.05491	3.9
81.07066	1.7
83.04974	1.6
83.08602	0.9
85.02913	0.3
91.05474	4.1
93.03406	0.6
93.07024	0.9
94.04164	0.4
95.04964	1.4
95.08601	0.6
96.05743	0.4
98.23347	0.3
103.05469	2.3
105.03403	0.8
105.07036	3.2
106.04176	3.7
107.04959	7.1
107.08581	0.5
108.05723	1.2
109.06496	1.6
111.08089	0.4
115.05468	0.7
117.07001	1.6
119.04923	0.6
119.08557	0.8
120.05731	0.6
121.06506	4.3
122.03690	0.4
123.04438	9.7
123.08074	1.2
124.05228	3.8
125.05984	1.1
129.07016	0.9
130.07829	1.6
131.04933	1.3
131.08560	0.6
133.06480	1.0
134.03638	2.4
135.04396	0.9
135.08049	6.7
136.05217	3.4
137.05981	7.7
138.06789	1.5
139.03894	0.9
139.07541	3.4
140.04686	0.7
143.08542	0.7
144.05762	0.4
145.06520	2.0
145.10129	7.6
146.10472	0.5
147.04398	1.0
147.08046	0.9
148.05200	8.0
149.05975	1.5
149.09613	0.6
151.03909	3.5
151.07535	7.6
152.04688	6.0
152.07874	0.5
153.05495	1.7
154.06271	5.1
155.07086	0.6
155.08536	0.5
158.07256	0.8
161.06036	1.9
161.09642	0.8
162.06718	1.0
162.10217	0.4
163.07536	14.4
163.11232	0.5
164.08318	3.1
165.05493	1.3
165.09120	1.4
166.05135	0.2
166.06259	16.7
167.07037	100.0
168.07562	5.4
169.08643	1.2
172.08861	0.6
173.09615	5.3
174.10179	0.5
175.07512	2.1
176.08319	4.3
177.09177	1.9
177.12744	5.2
178.09888	1.2
178.13109	0.4
180.07852	1.8
181.08597	55.9
182.08925	2.7
187.11221	0.9
189.09058	0.6
189.12741	0.6
190.09903	2.4
191.10591	0.7
194.09401	1.1
195.10144	2.9
198.34380	0.3
203.10703	0.9
205.12241	36.4
206.12621	2.8
209.11737	2.2
219.13774	1.7
220.14568	7.6
221.11745	3.1
221.15271	0.8
235.13255	1.7
236.14052	1.0
237.14850	29.5
238.15240	2.3
241.08562	0.4
243.10120	0.7
251.16422	19.8
252.16792	1.7
257.08109	0.4
271.09705	1.8
272.10376	0.8
285.11264	0.5
295.09793	0.6
303.12061	1.3
303.15710	0.4
309.14856	0.7
310.15524	0.7
313.18027	1.5
321.14954	0.6
323.09134	0.4
341.17514	4.0
342.17657	0.7
359.15457	0.3
373.20004	3.1
390.20279	1.1
405.22687	14.9
406.23111	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.5
53.03944	0.8
55.01875	0.7
55.05512	2.7
63.72467	0.4
63.72895	0.5
65.88254	0.4
67.05508	6.0
67.63699	0.4
68.80508	0.5
69.03441	0.6
69.07064	2.6
71.32497	0.8
77.69534	0.5
79.05496	3.8
81.07053	6.3
83.04977	3.1
84.79874	0.5
91.05472	5.4
93.07047	10.3
95.04951	1.5
95.08604	12.2
97.06542	1.5
97.10186	0.8
103.05454	0.7
105.03365	1.1
105.07025	4.3
107.08588	8.2
108.08862	0.6
109.06526	0.9
109.10156	4.4
111.04446	1.4
111.08089	2.5
115.05437	1.0
116.06226	0.5
117.07001	1.3
119.06030	0.5
119.08575	4.5
121.06479	2.0
121.10131	5.7
123.08069	2.1
123.11700	1.9
125.05947	0.9
128.06213	5.3
129.07011	4.0
130.07796	0.7
131.08591	4.0
133.06517	0.8
133.10146	3.5
135.08078	1.1
135.11720	2.6
139.07506	1.1
141.06972	1.5
141.09097	0.9
142.07767	1.4
143.08565	8.9
144.05666	0.5
145.06438	0.5
145.10124	6.1
147.08020	0.7
147.11699	2.7
149.09581	0.9
149.13234	1.3
152.06195	1.6
153.06995	2.6
155.08575	3.0
156.09267	0.6
157.06490	39.6
157.10069	2.5
158.06833	1.6
159.08041	11.5
159.11662	3.0
160.08490	0.7
161.09662	2.8
161.13239	1.3
163.11169	0.6
163.14833	0.7
165.07027	2.8
166.07797	0.9
167.08514	2.8
168.09161	0.6
169.06512	1.9
169.10158	2.8
170.07246	0.6
170.10577	0.5
171.08051	100.0
171.11707	2.2
172.08380	4.7
173.09613	4.8
173.13245	1.4
175.11185	1.0
175.14845	0.7
179.08530	5.8
180.09236	0.5
181.06453	2.2
181.10049	2.5
182.07281	1.6
182.10698	0.5
183.08044	12.6
183.11725	1.1
185.09584	4.4
185.13231	1.4
187.11220	2.6
187.14862	0.9
189.12749	0.9
191.08636	0.8
191.14398	0.9
193.10205	2.6
194.07281	1.5
194.10788	0.9
195.08029	6.9
195.11720	2.3
196.08807	1.8
197.09607	14.0
197.13272	1.4
198.10022	0.7
199.11234	1.5
199.14754	0.7
201.12721	1.3
203.14267	0.5
205.10059	1.3
206.10773	0.8
207.08025	1.6
207.11737	2.4
207.13535	0.7
208.08821	2.4
209.09619	10.0
209.11554	0.6
209.13278	1.6
210.10223	0.9
211.11166	5.0
211.14645	0.5
213.12730	0.7
215.14421	0.9
217.10089	0.7
217.15643	0.6
219.11569	1.0
221.09645	3.6
221.13269	1.5
222.10382	1.8
223.11169	10.8
223.14702	1.1
224.11635	1.1
225.12747	2.2
229.15796	0.5
233.09579	0.5
233.13261	1.9
234.10344	0.7
235.11128	2.7
235.16986	1.1
236.11819	0.9
237.12791	5.9
237.16336	0.7
239.14433	0.8
246.10275	0.6
247.11131	1.2
247.14925	1.2
248.11847	0.9
249.12738	3.4
251.14301	12.7
252.14716	1.1
261.12842	2.5
263.14325	4.5
265.15915	5.2
265.18924	0.9
273.12772	0.6
273.16498	0.7
274.96286	0.5
275.14404	1.1
277.15860	1.8
277.18768	0.5
289.15765	2.0
291.17380	4.9
293.18930	0.8
295.20422	0.9
295.38589	0.5
303.17471	1.1
305.18900	1.9
306.19556	0.6
306.23279	0.5
325.06287	0.5
329.18982	0.9
331.20578	3.9
341.15295	0.5
359.19934	0.8
359.23755	5.7
360.24121	0.7
369.22150	2.4
374.18713	0.9
378.75366	0.5
387.23187	17.7
388.23303	2.5
405.24039	15.1
406.24515	2.4
406.29294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.4
55.05513	10.0
57.03439	1.8
57.07064	6.5
65.03934	1.5
67.05506	22.6
69.03423	5.0
69.07070	11.4
69.13542	1.0
70.67359	1.0
71.04997	1.8
73.76120	0.9
77.03932	1.1
79.05483	9.6
80.43315	1.0
81.03410	1.4
81.07057	19.1
83.04993	5.6
83.08624	3.5
85.06522	1.2
91.05471	14.0
93.07045	25.6
95.04950	5.7
95.08605	42.8
97.06528	5.4
97.10160	3.0
105.07030	21.2
107.04977	1.0
107.08599	20.5
109.06521	4.6
109.10166	16.0
111.04462	4.0
111.08083	7.3
111.11741	1.0
113.06005	1.5
115.05422	1.3
116.06248	1.1
117.07026	7.1
119.08586	21.4
121.06505	6.2
121.10147	12.8
123.08063	12.3
123.11710	4.0
125.06004	1.0
125.09660	1.8
128.06206	3.3
129.07025	7.0
130.07832	1.3
131.08568	9.7
133.10109	13.1
133.11034	1.1
135.08052	5.5
135.11687	8.1
137.09648	1.2
139.07552	4.2
141.06973	7.0
141.09103	1.7
142.07808	8.0
143.08560	17.0
144.09157	1.4
145.06476	1.6
145.10129	11.9
146.07257	1.3
147.08070	9.1
147.11696	9.5
149.09625	2.5
149.13277	3.9
152.06186	1.3
153.07005	4.1
154.07784	3.7
155.08559	21.6
156.09315	4.3
157.06479	4.9
157.10115	20.6
158.10539	1.3
159.08054	11.6
159.11676	6.9
160.08759	2.5
161.09637	10.4
161.13266	7.7
163.11172	5.4
163.14766	1.3
165.06963	7.4
166.07768	4.9
167.08543	11.8
168.09373	5.1
169.06493	1.2
169.10123	22.1
169.11501	1.6
170.10666	2.1
171.08058	1.9
171.11682	8.9
173.09583	5.1
173.13263	2.9
174.10349	2.5
175.11186	12.7
175.14842	1.5
177.12781	2.0
177.16451	1.0
178.07730	6.0
179.08603	11.4
180.09344	5.6
181.10121	22.4
182.10799	4.1
183.08052	2.6
183.11684	13.0
185.09605	7.3
185.13289	4.1
186.10307	0.9
187.11217	2.1
187.14809	1.9
189.12747	15.5
191.08574	4.3
192.09377	6.2
193.10141	15.7
193.11951	1.4
194.07251	2.3
194.10860	8.9
195.08061	2.9
195.11700	25.3
196.12253	3.7
197.09625	15.6
197.13248	7.3
198.10272	1.7
199.11166	26.7
199.14804	5.3
200.11530	3.0
200.69518	1.0
201.12753	1.0
201.16342	1.7
202.07697	1.3
203.08537	2.7
204.09390	2.8
205.10130	12.6
206.10864	5.6
207.11708	18.4
207.13686	1.6
208.08916	1.4
208.12436	6.9
209.09616	27.4
209.13219	29.0
210.10164	3.4
210.13690	2.3
211.11186	74.8
211.14583	10.8
212.11517	6.1
213.12749	9.6
213.16360	2.3
215.08597	1.9
216.09254	1.4
217.10245	4.5
218.10924	4.9
219.11700	14.2
220.12415	4.9
221.09650	2.6
221.13249	13.0
222.10263	1.6
222.13918	4.1
223.11201	36.8
223.14716	16.9
224.11562	4.1
224.15366	1.3
225.12743	37.1
225.16345	2.7
226.13170	3.6
227.10455	1.3
227.14311	3.9
227.17917	1.3
228.86450	1.2
229.10208	1.4
229.19620	1.1
230.10910	2.9
231.11646	3.7
232.12421	7.8
233.13257	11.1
234.14006	2.4
235.11143	5.2
235.14835	7.7
236.11963	1.5
236.15442	1.6
237.12729	46.3
237.16255	8.9
238.13144	4.3
239.14313	6.7
239.17867	1.7
243.11699	2.2
244.12411	2.3
245.13261	6.3
246.14064	2.0
247.11145	3.4
247.14815	15.6
248.11897	1.2
248.15408	2.3
249.12746	11.3
249.16306	5.1
250.13344	3.5
250.17174	1.4
251.14311	17.8
251.17879	5.3
252.14601	2.6
253.15892	2.7
255.11574	1.1
256.12534	2.2
257.13190	1.6
258.14001	2.4
259.14883	4.3
261.12772	9.6
261.16287	1.7
262.13483	3.0
263.14307	37.0
263.17764	2.7
264.14825	3.9
264.18588	1.3
265.15887	100.0
265.19421	12.2
266.16318	10.1
266.20065	2.2
267.14880	1.0
267.17465	6.6
267.20642	1.4
271.14886	2.1
273.16437	4.5
274.13669	1.9
275.14337	8.3
275.17178	1.5
276.15012	4.3
277.12064	0.8
277.12689	1.3
277.15900	15.8
277.18994	1.8
278.16376	2.2
279.14206	1.2
279.17484	4.3
283.17194	2.0
287.14252	1.0
287.17819	2.1
288.18872	1.3
289.15851	12.9
290.15997	1.6
291.14047	2.1
291.17426	47.6
291.20749	2.5
292.17853	5.4
293.15707	2.0
293.18997	7.1
293.21976	1.4
295.20630	1.1
299.14377	1.1
303.17545	5.4
303.20682	1.2
305.15701	1.2
305.19012	4.8
306.20087	1.7
306.23450	2.0
307.17084	1.8
309.18750	1.3
311.18109	1.4
312.15039	1.0
313.15884	2.4
313.19348	1.7
315.17218	2.1
317.15463	1.9
317.18976	2.7
327.17615	2.0
329.19028	3.2
331.16998	1.7
331.20569	3.2
331.24088	1.1
341.19083	1.2
341.22552	5.6
345.22226	2.6
349.29068	1.3
351.21173	1.9
359.19391	1.5
359.23663	19.2
359.27972	1.5
360.24084	2.5
369.22131	17.5
370.22336	1.8
377.24496	1.3
387.23160	66.7
388.23532	9.8
405.13370	4.8
405.24109	61.7
405.28085	41.4
405.35294	9.3
406.23709	8.2
406.28375	5.6
406.35583	1.4
420.77731	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.8
55.05503	4.6
57.03433	1.0
62.57472	1.1
67.05499	10.1
69.03421	2.8
69.07077	10.7
78.64409	1.0
79.05482	6.4
81.03407	1.2
81.07056	7.3
83.04978	5.0
85.54916	1.0
91.05481	11.2
93.07049	14.4
95.04965	4.7
95.08605	20.7
97.06527	1.4
97.10119	1.1
103.05423	1.5
105.07024	14.4
107.04998	2.3
107.08591	9.3
107.47205	1.2
108.53148	1.2
109.05869	1.3
109.06531	4.9
109.10138	3.8
111.08092	2.1
113.05984	1.2
113.28966	1.1
115.05466	3.5
117.07008	4.9
119.08582	10.8
121.06511	3.3
121.10158	4.4
123.08047	6.7
125.09625	1.7
125.78931	1.1
128.06189	2.6
129.07045	6.6
131.08592	7.8
133.06454	1.9
133.10133	5.7
135.08038	5.1
135.11665	3.0
137.09601	1.3
141.07013	5.7
141.09120	1.2
142.07732	3.8
143.05110	1.2
143.08560	10.3
145.06511	5.3
145.10133	6.2
147.08057	3.4
147.11633	2.9
149.09598	2.8
149.13297	1.9
152.06180	1.6
153.07004	3.8
154.07805	2.8
155.08545	11.1
156.09297	2.7
157.06496	8.9
157.10118	17.6
159.08060	5.0
159.11716	6.4
161.09624	4.9
161.13191	1.6
162.10092	1.2
163.11194	1.8
165.06961	6.9
166.07780	4.8
167.08577	11.3
168.09309	3.8
169.06541	1.6
169.10123	12.4
170.10745	1.7
171.08093	2.7
171.11702	7.0
173.09631	3.2
175.11127	2.2
178.07767	2.9
179.08542	9.2
180.09267	3.5
181.06467	5.4
181.10126	9.5
182.07173	2.6
182.10828	2.3
183.08061	3.6
183.11696	9.2
185.09615	1.9
185.13269	2.9
187.11211	1.9
189.06996	1.3
189.12831	2.2
190.07814	1.5
191.08517	3.8
192.09352	5.2
193.10097	10.6
194.07350	3.2
194.10922	3.0
195.08081	5.7
195.11661	9.3
196.08830	3.9
197.09578	8.6
197.13254	3.6
199.11197	8.4
199.14774	1.9
201.12738	2.3
203.08577	2.5
204.09360	3.3
205.10127	7.2
206.10919	2.8
207.11618	8.0
208.08815	2.7
208.12437	2.6
209.09653	23.8
209.13110	5.3
210.10234	4.0
211.11166	24.7
212.11699	1.6
213.12747	2.3
217.10107	4.1
218.10861	2.5
219.11697	4.5
220.12303	2.1
221.09651	3.2
221.13251	8.2
222.10368	3.5
222.13892	1.4
223.11201	10.5
223.14755	6.9
224.11891	2.5
225.12752	12.3
226.13272	2.2
227.14275	5.4
229.10118	2.0
230.10988	2.0
231.11734	3.1
232.12427	3.5
233.13271	4.1
234.13914	1.6
235.11232	3.5
235.14861	2.6
236.11974	1.6
237.12729	10.8
237.16411	2.7
239.14287	2.9
243.11780	1.6
245.13248	2.8
246.13998	1.6
247.11276	2.0
247.14804	9.7
248.12004	1.7
249.12836	5.3
249.16373	3.1
250.13429	2.2
251.14252	4.1
257.13455	1.4
258.14041	2.1
259.11301	1.5
259.14755	1.8
261.12686	3.2
261.16605	1.8
262.13440	1.6
263.14291	12.7
263.17389	1.5
264.14911	2.6
265.15851	42.7
266.16275	3.1
267.17441	4.6
273.16418	4.1
275.14297	1.7
276.15088	3.0
277.15851	4.5
278.16531	1.6
279.17389	2.6
281.18796	1.4
289.15820	2.9
290.16446	1.5
291.17413	17.5
292.17844	2.5
293.18860	1.9
301.15952	1.2
303.17511	2.0
305.19128	2.6
306.19858	3.6
308.97479	1.1
312.18814	1.0
329.19168	1.4
331.20605	2.3
341.22607	1.4
351.21188	1.4
359.23801	9.0
369.22156	7.1
377.24557	2.3
387.18143	0.7
387.23132	35.5
388.23398	4.9
405.24213	100.0
406.24695	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3361
Annotation	3beta-Hydroxy-15-[3-methylvaleryloxy]-ent-labda-7,13E-dien
Peak:m/z	Relative Intensity
55.05512	3.6
57.07065	2.4
62.87481	0.6
67.05499	3.2
68.99772	0.7
69.03415	0.7
69.07067	3.8
69.09403	2.5
69.09810	2.2
71.08606	0.8
79.05496	2.0
81.07050	2.2
82.67349	0.6
83.04951	0.7
83.08614	2.5
91.05466	1.3
93.07046	2.6
95.08609	3.1
97.02878	1.6
97.06493	1.3
97.10169	1.1
103.49672	0.6
105.07016	1.1
107.08574	1.6
108.95152	0.6
109.10153	0.8
111.04456	1.1
119.08615	0.8
121.10170	1.0
123.11721	0.7
125.02383	0.8
131.08568	0.6
133.10144	0.9
135.11665	0.8
136.93376	0.6
139.03914	1.2
141.05594	0.6
149.13281	0.6
153.05441	0.8
167.07086	1.0
181.08675	0.9
197.01416	0.6
199.14896	0.6
209.11920	0.8
237.14755	1.0
265.17862	0.6
272.45612	0.6
375.15915	1.4
389.17346	1.6
390.18021	1.7
405.21088	10.2
405.33603	100.0
406.21082	1.8
406.33969	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
53.85439	1.6
55.05509	29.7
57.07077	17.7
65.03940	3.1
67.05501	43.6
67.09912	1.4
67.82526	1.4
69.03432	5.7
69.07067	37.0
70.07444	1.7
71.04987	3.1
71.08613	4.2
71.30247	2.9
77.12872	1.4
79.05489	28.7
81.07053	69.4
83.04965	7.6
83.08617	17.8
85.06535	2.6
85.10149	1.8
91.04919	1.2
91.05476	30.0
93.07043	61.7
95.04971	7.6
95.08602	97.2
96.08976	2.4
97.06540	4.8
97.10162	9.9
103.05470	2.5
105.07029	50.4
107.08586	59.4
109.06525	8.1
109.10160	48.0
111.04517	1.7
111.08073	10.3
111.11704	3.9
115.05447	4.6
117.07000	9.6
119.08574	67.5
121.06526	9.7
121.10135	39.2
123.08067	13.2
123.11692	21.6
125.05959	2.2
125.09598	2.6
128.06247	4.6
129.06995	12.4
130.07764	3.9
131.08560	26.6
133.06494	2.2
133.10124	37.0
134.10466	2.2
135.08073	8.8
135.11687	24.9
137.05954	8.9
137.13258	10.3
139.07552	9.7
141.06970	8.9
142.07748	8.6
143.08553	26.6
144.09306	2.8
145.06479	1.9
145.10127	33.8
147.08083	8.5
147.11687	30.0
149.05994	2.9
149.09607	4.7
149.13258	20.2
149.45982	1.6
151.07535	17.8
151.14754	2.7
153.06976	3.4
154.07709	3.6
155.08537	23.9
156.09300	6.3
157.06480	4.4
157.10123	35.3
158.10751	2.0
159.08054	11.7
159.11697	27.2
161.09598	12.6
161.13242	22.1
163.07558	2.5
163.11186	7.2
163.14842	12.3
165.05482	6.3
165.07014	7.4
165.09064	4.2
166.07843	3.6
167.07033	44.6
167.08553	10.1
168.07394	2.1
168.09311	6.3
169.10126	25.5
170.10857	2.8
171.08081	3.8
171.11690	18.8
173.09601	6.1
173.13272	21.2
174.10368	3.6
175.07513	3.0
175.11211	11.6
175.14841	21.8
176.15121	2.0
177.09096	1.8
177.16397	7.3
178.07791	5.8
179.07057	2.5
179.08553	14.4
179.10704	2.5
180.09328	5.3
181.08606	3.3
181.10088	25.1
182.10925	3.2
183.07976	3.5
183.11696	18.6
185.09618	7.2
185.13234	14.1
187.14822	18.1
189.09103	5.8
189.12730	14.4
189.16374	10.2
191.07063	3.3
191.08615	3.9
191.10535	2.1
191.17944	3.6
192.09358	5.9
193.08650	3.1
193.10130	13.6
194.10870	8.5
195.08047	3.0
195.11697	29.2
196.12325	3.3
197.09601	17.7
197.13272	11.6
199.11189	28.5
199.14793	15.3
200.15611	1.9
201.16396	10.6
203.08626	1.8
203.10658	2.7
203.17949	4.5
204.09390	2.7
205.08528	4.3
205.10179	11.7
206.10928	5.4
207.10011	3.1
207.11716	19.1
207.13649	2.6
208.08765	3.3
208.12408	6.7
209.09631	21.1
209.13219	35.0
210.10304	3.0
210.13727	4.6
211.11185	73.8
211.14662	13.6
212.11632	3.4
213.12747	8.4
213.16295	9.8
215.17958	6.3
217.10101	4.6
217.19522	4.4
218.10889	5.4
219.11778	14.1
220.12407	2.9
221.09605	3.7
221.11400	2.4
221.13347	10.5
222.13907	5.5
223.11189	40.1
223.14717	17.8
224.11714	3.0
225.12753	33.7
225.16399	5.8
226.13196	2.2
227.14351	3.8
227.17905	9.7
229.10109	2.5
229.19476	6.2
230.10930	2.5
231.11653	3.6
231.21056	2.9
232.12428	5.7
233.09639	1.8
233.13348	10.0
234.13861	3.2
235.11119	5.1
235.14819	7.3
236.11900	2.3
237.12749	43.7
237.16348	8.4
238.13051	4.7
238.16747	2.1
239.14310	6.9
239.17944	5.0
241.15858	2.8
241.19547	4.6
243.21080	1.9
245.13208	6.5
247.11188	3.5
247.14862	14.4
248.15535	2.9
249.12717	12.1
249.16405	6.2
250.13365	3.8
250.17082	2.1
251.14348	18.4
251.17915	5.4
252.14742	2.8
253.15857	2.3
253.19540	3.7
255.21060	4.4
257.13290	1.9
257.22556	4.3
258.13931	1.8
259.14825	5.1
261.12732	9.0
261.16245	2.0
262.13458	4.0
263.14297	34.3
263.17776	3.2
264.14862	4.7
265.15875	100.0
265.19360	11.8
266.16226	10.4
266.20093	2.8
267.17383	5.9
267.21005	6.4
269.22641	2.5
273.16339	6.5
275.14230	9.7
276.14917	2.7
277.15848	12.8
279.17462	3.6
281.22577	4.3
283.24048	2.5
285.34796	1.8
287.14343	1.9
289.15796	11.2
291.14014	2.2
291.17438	41.9
291.20731	3.4
292.17838	4.1
293.18951	5.4
293.22375	2.6
295.24216	2.3
303.17407	5.4
305.18884	4.0
306.19608	3.8
307.24100	2.7
309.25888	2.4
313.15884	2.6
317.15253	2.0
317.18820	2.7
321.25595	2.9
323.27441	4.3
329.18906	2.7
331.20538	3.9
335.27271	5.4
341.22672	3.3
345.22159	2.4
349.28802	4.8
359.19803	3.4
359.23648	18.4
360.24048	2.5
363.30417	2.0
369.22226	14.2
369.26559	2.5
370.22250	2.5
374.22528	1.8
375.15991	1.7
387.19263	1.3
387.23166	56.9
387.28561	5.9
388.23462	11.9
405.24042	55.4
405.28171	37.6
405.35175	89.4
406.24442	5.0
406.29163	3.4
406.35275	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01877	3.5
55.05520	2.6
56.05028	5.9
57.03456	4.5
57.03676	1.1
57.98825	1.1
58.99584	14.8
61.01134	1.2
67.05506	1.2
68.05009	1.3
69.07078	1.8
70.02982	1.1
70.06600	1.4
70.80538	2.0
72.93624	0.8
73.01145	2.0
73.66637	1.0
74.00677	1.7
74.02456	1.2
76.02229	23.4
76.03994	1.2
79.05500	3.7
80.05032	0.9
81.07060	20.1
83.06119	2.1
83.38889	0.9
84.04507	28.6
84.08150	1.4
85.01123	4.8
85.02911	2.7
85.04860	0.9
86.00640	5.4
86.99063	6.0
87.02695	5.5
88.02216	2.0
95.04991	1.0
95.08624	3.3
98.09689	11.6
99.08104	5.6
102.05552	5.9
105.07072	2.0
107.04922	1.0
110.09679	2.6
112.03981	2.8
113.04228	6.5
115.05839	2.0
116.01678	24.7
120.08153	0.9
122.09661	2.4
127.05880	1.0
129.06606	2.8
129.46231	0.9
130.05009	7.0
130.06876	2.9
130.08649	2.5
135.04405	1.0
139.05797	1.8
142.03261	2.2
143.02750	1.4
144.01147	7.8
145.05017	0.9
156.08456	21.5
156.10217	9.5
157.06834	8.4
162.02191	23.4
167.07045	26.9
170.02753	1.2
174.09486	15.6
177.05528	3.6
179.04849	11.0
180.02026	1.0
180.08508	0.9
187.05302	1.2
189.03339	1.4
208.72052	0.9
209.08047	6.6
210.11270	3.0
215.04955	1.2
216.06902	6.6
227.09146	8.1
233.06003	1.7
242.08426	1.5
245.04292	4.6
257.04572	1.3
258.91916	1.0
259.11124	100.0
260.09085	1.1
260.11664	5.7
285.12738	1.1
313.12314	4.2
331.13272	5.4
406.16339	1.9
407.07751	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.7
57.03422	0.8
67.05486	0.6
69.03424	1.6
69.04939	1.6
69.05359	4.1
74.81815	0.5
79.05495	0.8
81.03423	0.8
82.45073	0.5
85.02898	3.5
87.16166	0.5
91.05484	4.0
92.05814	1.7
95.04988	0.7
97.02872	0.6
105.07019	0.9
106.04141	1.1
107.04951	10.1
109.06517	0.8
111.98557	0.6
117.07021	3.3
119.04948	1.3
121.02853	0.6
121.06521	0.8
122.03611	0.6
123.04423	2.5
124.05220	0.9
127.03953	0.6
129.06969	1.0
130.07327	1.0
133.02882	0.6
135.04398	0.8
135.08084	0.7
137.05965	4.9
138.06306	2.3
145.06500	3.1
147.04485	0.6
149.05975	1.2
149.09624	3.3
150.06403	1.0
151.03915	3.3
151.07527	6.4
152.04622	0.9
152.07912	4.1
152.08940	0.6
155.07008	1.1
161.06004	1.9
162.06378	1.3
163.07503	1.2
164.07872	1.4
166.07248	0.6
167.07039	100.0
168.07433	4.1
168.08806	1.1
177.09113	13.3
189.09161	2.1
190.09474	1.8
191.08163	2.9
209.11720	23.8
210.12100	1.3
226.09496	0.8
227.10849	0.7
227.12749	13.5
228.10948	1.3
243.09947	0.6
245.04399	2.4
250.09465	0.7
254.08801	0.8
256.10486	1.4
269.08691	0.8
284.89133	0.7
286.11469	0.8
287.12610	0.7
288.13153	2.3
307.13016	1.0
314.14691	1.3
321.65164	0.6
325.13797	1.0
331.14917	2.5
332.15482	1.0
389.13416	1.9
407.07758	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.6
55.05486	2.2
57.03423	2.3
60.32193	1.6
61.02915	1.8
65.03936	2.5
67.05497	7.0
69.03426	6.9
70.58118	3.3
70.58456	2.2
71.04990	5.5
79.05486	13.6
81.03453	1.7
81.07047	7.3
83.04961	2.1
84.42485	1.9
85.02492	1.8
85.02914	15.8
91.05469	6.3
93.07037	30.5
95.04976	4.0
97.02876	2.2
97.06509	3.8
99.04469	21.7
100.04796	1.9
101.06032	4.0
105.07032	34.8
106.07388	2.0
107.04952	3.2
107.08591	60.0
109.06502	3.4
111.08099	3.7
117.07050	2.9
119.08585	12.7
121.06505	11.1
121.10145	36.6
127.03924	2.0
130.07829	2.0
131.08546	5.5
135.04378	1.8
135.08107	2.3
135.11703	16.1
135.19267	1.8
139.07536	1.9
143.08545	2.0
145.04903	3.0
145.10117	29.0
146.10466	2.1
147.11739	2.1
149.06007	2.9
149.09639	6.7
163.07620	3.4
163.09807	4.6
163.11180	87.9
164.11493	2.5
167.06981	2.3
173.09607	6.2
180.08757	3.9
181.04947	3.5
181.12253	28.2
191.10672	100.0
192.11050	5.2
208.07487	2.5
209.11728	40.5
227.12782	52.0
228.13246	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.2
55.01874	4.5
55.93140	2.0
57.03442	2.0
61.02909	3.0
63.89009	2.2
64.27929	2.1
67.05504	6.7
69.03422	8.8
69.07057	2.9
71.05000	6.4
71.30517	2.5
71.30864	2.6
79.05498	7.6
81.03422	4.7
81.07050	7.0
85.02914	25.8
90.10210	2.0
91.05486	7.4
93.07034	22.3
95.08654	2.1
97.02882	8.1
97.06515	7.4
99.04451	20.7
105.07044	17.8
107.08588	15.3
111.08081	3.0
119.07726	2.0
119.08570	15.3
121.06503	16.4
121.10140	60.3
123.08086	3.4
127.03902	4.5
131.08560	3.8
135.08072	4.1
135.11687	8.8
139.07497	2.7
140.04195	2.4
145.04973	4.7
145.10129	22.5
149.09605	6.2
163.11191	76.5
164.11449	3.2
172.54764	2.3
173.09612	6.0
180.08676	5.4
181.12233	41.5
188.56050	2.4
191.09259	1.9
191.10683	51.9
192.10956	3.2
209.11722	50.4
210.11942	3.3
227.12782	100.0
228.13100	5.0
244.15468	4.4
245.04819	2.3
371.51578	2.6
407.28979	3.7
431.95474	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.7
67.01992	5.0
67.05484	10.1
69.03422	17.0
69.07049	8.4
71.30007	10.8
76.80911	6.3
81.07067	13.6
85.02914	24.4
85.99812	5.6
91.05489	9.3
93.07036	10.1
95.08611	15.6
96.83464	5.8
97.02979	5.3
97.06522	13.1
105.06983	6.7
107.08601	19.8
109.10165	15.4
119.08562	8.2
121.10139	37.4
126.88692	6.0
133.10130	96.1
135.08064	8.5
139.03981	5.6
145.10149	9.7
147.11665	10.8
149.09627	8.4
149.13258	13.4
151.11154	31.6
163.14854	9.9
169.12282	7.3
173.13255	36.1
191.14311	100.0
194.64116	5.3
209.04158	5.3
209.15384	45.5
219.11874	5.3
227.16399	22.4
245.04565	11.1
310.37906	6.6
376.14160	6.9
389.13074	8.9
407.07904	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
53.31545	1.6
55.01877	2.9
55.05509	4.6
57.03425	4.4
65.31194	1.9
67.05510	4.2
69.03434	7.8
69.07075	6.2
71.04993	6.3
71.30128	2.7
79.05506	7.5
80.55005	2.0
81.03407	2.8
81.07066	4.1
81.97078	1.8
83.04968	17.8
83.08646	1.8
85.02892	12.5
86.37234	1.7
89.06030	5.0
91.05479	7.6
93.07055	4.5
95.04984	4.3
95.08614	5.8
97.02872	3.7
97.06528	3.8
103.05476	5.7
105.07028	20.2
107.04932	13.8
107.08599	17.0
109.06499	3.4
109.10147	9.4
109.89275	1.7
111.08074	2.4
115.05440	2.6
119.04934	2.1
119.08588	6.8
121.06547	4.5
121.10141	100.0
122.10484	4.1
123.04379	2.0
123.08085	3.2
123.11721	5.0
125.05978	2.3
125.09603	2.3
127.03911	4.1
131.08592	5.2
133.06490	6.4
133.10155	9.3
135.08060	6.4
135.11681	4.9
137.05983	7.4
137.09630	7.6
139.11169	5.9
145.04950	3.3
147.04402	3.0
147.11671	9.2
149.05966	2.7
149.09650	3.2
149.13287	11.1
150.06767	4.3
151.03900	5.3
151.07533	3.3
151.11195	6.4
153.05502	4.4
158.10931	1.9
161.05984	4.0
163.07494	9.6
163.14798	9.4
165.05502	3.4
165.09131	6.3
167.07059	4.7
169.12277	4.6
173.13260	15.2
177.05583	2.3
180.07854	2.3
181.04974	12.7
181.08601	4.5
191.08194	8.8
191.14282	43.0
192.13229	2.1
193.05031	2.4
193.08606	13.5
207.06532	2.4
207.10088	2.3
208.07323	6.9
209.15375	25.8
211.09654	23.2
225.07652	5.3
226.08289	2.8
227.16403	92.2
228.16728	2.1
271.13394	1.9
307.12949	4.1
317.13898	3.9
325.14078	9.0
339.09433	2.2
389.13345	2.3
407.07562	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
57.03426	5.1
61.02908	1.4
65.07377	1.0
65.57645	1.0
67.05485	2.7
69.03416	3.5
69.07062	3.2
69.17793	7.5
71.04990	2.4
79.05492	1.2
81.07057	3.8
83.04951	5.2
83.08612	2.2
85.02905	5.0
91.05469	1.6
93.07059	2.8
95.05007	1.3
95.08598	4.3
97.02884	1.9
97.06489	1.6
105.07008	3.0
107.08589	14.5
109.06514	2.5
109.10157	11.2
111.08098	2.6
119.08550	2.6
121.06506	1.4
121.10136	12.1
123.08074	2.3
123.11717	1.9
124.08141	1.2
125.09630	4.2
131.08560	2.6
133.10155	2.7
135.08040	2.3
135.11671	3.9
137.05984	2.2
137.09607	7.7
137.13344	1.3
138.06361	1.9
139.11211	1.8
147.11664	2.1
149.09642	1.8
149.13257	7.1
151.07480	2.4
151.11192	16.7
152.07866	1.6
153.09100	2.4
153.12650	1.2
163.07449	1.2
163.14803	10.8
165.12756	1.2
169.12253	5.0
173.13231	10.0
190.09538	1.8
191.14297	37.0
192.14595	2.5
193.08586	1.3
209.15363	19.3
211.09598	2.4
227.16409	100.0
228.16701	5.4
240.04880	1.1
256.10376	1.1
288.12991	1.4
307.39673	1.2
331.14728	2.3
344.32599	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01832	10.5
55.05506	21.6
67.05497	10.1
69.03413	11.0
70.42532	22.1
82.72645	9.2
83.04991	60.6
83.08620	17.9
85.02899	13.7
92.01723	10.6
93.07027	16.8
93.70028	9.1
95.08593	21.6
98.97563	22.3
105.07043	13.0
107.08594	54.9
109.10082	9.5
111.08075	35.9
116.74673	11.3
117.29150	9.8
121.10141	12.6
123.08012	11.7
125.89638	9.4
133.10152	18.6
134.74841	11.2
135.11664	26.2
149.13245	10.9
153.09100	56.9
167.07126	13.4
191.14314	63.0
205.26413	9.4
209.15355	48.1
245.04387	19.5
323.93887	10.3
347.13763	28.5
365.14761	11.9
403.07123	12.5
407.07098	11.0
407.14487	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03404	4.7
69.15450	39.4
81.07079	5.6
85.02911	12.5
91.05492	13.6
93.07040	13.2
95.04958	5.1
95.08600	20.5
97.02900	4.8
97.06496	6.0
98.22637	11.2
105.07024	11.9
107.08595	14.1
117.06886	5.3
121.10142	9.0
131.08582	6.5
133.10132	100.0
134.10489	5.7
135.08080	6.8
136.23216	5.7
137.05968	5.8
138.06316	7.1
140.04199	6.9
149.09586	12.1
151.07512	11.3
151.11163	19.3
158.10947	7.8
163.14908	8.5
173.13260	41.6
189.09059	6.0
191.14322	60.6
209.15390	32.8
222.64275	4.9
245.04445	12.4
286.11276	5.0
306.51797	4.9
315.09601	5.1
389.13016	6.5
407.07706	5.9
407.14093	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.9
69.03427	4.1
69.07060	3.0
70.67440	3.2
70.67764	1.9
71.05015	3.2
78.55989	1.7
78.56487	1.7
79.05495	2.8
81.03417	2.4
81.07063	4.8
83.04992	4.5
83.08617	4.8
85.02902	7.5
85.55987	2.0
93.07034	6.5
95.04966	16.4
95.08613	7.0
99.04475	4.2
99.08112	9.9
102.41822	2.1
105.07065	4.9
107.08617	12.7
109.06551	2.5
109.10133	3.4
121.10163	13.2
123.11671	2.2
125.05975	2.7
125.09589	4.7
131.08539	3.2
133.10110	12.3
135.08035	4.4
135.11728	2.3
137.09613	2.7
145.10204	2.3
149.09615	100.0
149.13225	5.4
150.09987	3.7
151.11179	16.1
151.80400	1.8
153.09116	8.7
163.14825	4.6
165.12766	4.3
167.14343	4.1
173.13301	6.8
178.06375	2.2
191.14288	21.7
209.15369	97.9
210.14024	2.0
210.15782	9.1
251.08603	2.4
297.08911	2.5
339.09628	2.1
364.06870	2.2
389.13306	3.5
407.14175	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95044	5.7
56.96572	7.1
68.99746	5.8
69.03439	12.4
69.24425	48.1
80.14342	4.8
85.02912	12.0
91.05463	7.5
91.06322	5.7
98.97598	9.0
103.04001	6.7
105.07047	9.1
106.99426	5.9
109.02825	7.0
123.04404	11.1
127.03908	12.0
135.04408	7.4
137.05977	17.8
145.05029	6.9
147.04420	11.8
163.03925	8.7
177.13969	6.1
182.06326	14.2
193.04948	6.4
195.10086	6.0
203.03430	17.5
207.05269	6.1
211.09648	11.8
228.06816	16.7
237.02740	6.5
244.05891	6.2
245.04428	100.0
246.04854	7.7
246.07532	7.1
257.04465	25.9
258.05121	6.6
269.04431	9.6
293.08798	9.2
325.78406	6.8
340.08224	13.8
357.10721	7.7
361.07230	6.1
379.08362	14.4
389.06201	7.2
393.27927	5.4
407.08032	76.3
407.13004	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1522
Annotation	Pamapimod
Peak:m/z	Relative Intensity
69.27885	2.0
69.28286	0.8
70.06576	0.5
72.67941	0.3
79.05451	0.4
79.07245	0.5
82.81062	0.4
85.02862	0.6
91.05478	0.4
95.83027	0.3
98.97574	0.4
101.00871	1.0
104.78724	0.4
113.00821	0.6
119.01955	1.8
123.04491	0.5
127.02393	0.5
131.01848	1.1
133.03436	0.8
137.05943	0.7
143.01854	1.5
145.03468	1.8
147.04376	1.2
155.01875	1.5
157.03403	0.6
160.07574	0.6
161.02910	1.6
167.07002	0.9
173.02921	1.3
173.06584	1.0
182.02626	0.5
185.02979	1.8
185.06537	1.1
191.07607	0.6
199.08109	0.5
203.03827	1.6
211.09793	0.6
215.07590	0.5
221.05023	1.4
227.07484	0.7
227.11166	0.6
245.04567	3.0
246.04573	0.4
257.04462	0.8
263.06076	0.6
275.06012	1.6
275.11136	3.6
289.11160	0.8
293.10580	1.1
377.12927	0.8
407.14941	100.0
408.15158	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
53.59750	1.5
55.01867	5.0
55.05504	2.0
57.03429	1.6
63.73526	1.7
65.03931	4.7
66.53613	1.8
67.05515	3.8
69.03435	2.6
70.41871	3.5
70.42218	2.9
71.01342	3.0
77.09864	1.5
79.05488	12.7
81.03416	3.5
81.07067	3.3
83.04990	13.0
85.02908	3.7
87.04459	2.8
91.05479	17.5
93.07034	3.1
94.04196	2.2
95.04940	5.0
97.06501	1.6
103.05475	14.8
103.06083	2.7
105.03385	5.7
105.04485	2.0
105.07030	29.0
107.04954	34.7
107.08577	2.0
109.06499	6.2
110.03629	2.4
115.05460	4.0
116.90915	2.1
118.04152	11.2
118.06519	1.9
119.04978	8.4
120.05711	2.4
121.06519	5.8
121.10138	6.2
122.07268	1.8
122.10474	5.2
123.04439	5.1
123.08078	4.2
124.05235	2.4
125.06026	3.6
131.04916	5.5
133.02838	5.0
133.06490	26.6
135.04414	7.4
135.08058	8.4
137.05971	27.4
146.03577	2.0
147.04407	13.7
148.05231	3.9
149.05971	8.3
150.06734	14.3
151.03917	15.3
151.07556	8.5
153.05460	7.9
155.07004	7.7
161.05972	12.7
161.09636	2.6
163.07532	33.6
164.08023	2.3
165.05481	15.6
165.09138	13.9
166.06236	3.4
167.07034	16.5
167.14290	3.1
168.07794	3.2
177.05458	3.9
178.06273	4.3
179.06999	7.3
180.07791	4.4
181.04959	39.6
181.08568	17.5
189.05533	3.0
189.09061	5.1
191.08199	15.8
191.14340	1.9
192.14645	2.3
193.04955	8.6
193.08595	63.8
194.08943	2.2
195.06522	4.4
197.08005	2.9
207.06516	6.4
207.10118	6.4
208.07315	20.3
209.08002	2.4
211.09651	100.0
211.17003	12.1
212.10043	7.1
225.07573	18.6
226.08302	10.1
227.12724	2.6
228.16695	10.0
245.04369	3.2
307.12778	6.1
324.03812	1.6
325.13962	8.7
357.12839	2.2
359.14917	3.3
407.07535	3.1
407.17026	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
53.96918	2.0
55.01869	8.0
55.17049	1.7
63.54916	1.8
65.03931	10.1
67.05500	5.5
69.03451	1.8
71.01357	5.4
71.30366	2.7
79.05501	15.0
81.07085	3.4
82.04185	2.4
85.02932	2.9
91.05473	24.5
93.03413	3.2
93.07059	3.4
94.04208	3.9
95.04950	16.2
103.05476	26.7
105.03406	10.7
105.04532	3.0
105.07040	13.1
106.04168	1.8
107.04955	79.1
108.05724	2.0
109.06501	9.9
110.03661	3.6
111.04433	5.1
115.05470	7.2
117.07012	4.7
119.04939	13.4
120.05755	4.2
121.06496	11.3
122.03640	4.5
123.04425	15.0
125.06027	4.3
131.04961	10.3
133.02843	15.5
133.06526	10.2
135.04419	6.0
135.08046	16.1
137.05980	47.9
138.06743	3.8
139.03900	3.4
140.04688	7.2
142.02708	2.1
147.04376	10.3
148.05190	4.2
149.05994	9.8
151.03905	5.9
151.07555	9.9
153.05482	21.8
154.06245	5.0
155.07022	15.2
161.05981	30.2
161.09639	4.1
163.03926	4.7
163.07542	89.9
164.11526	2.2
165.05475	41.1
166.06241	8.8
167.07039	9.7
171.06595	3.1
175.07561	4.4
177.05450	9.1
179.07042	7.8
180.04219	3.0
180.07817	22.7
181.04956	100.0
181.08554	37.9
182.05479	6.0
182.09329	4.1
183.06525	7.2
186.52702	1.9
189.05417	6.2
189.09102	18.6
191.06956	2.0
193.04956	20.7
195.06482	3.0
195.10107	2.7
196.07387	3.1
197.08110	8.3
207.06549	16.8
207.10127	13.8
208.07286	52.1
209.07980	6.1
223.11134	2.4
225.07568	47.8
225.09715	3.1
226.08354	36.0
235.09637	3.2
265.59412	2.0
313.10742	3.4
313.14474	2.6
341.13412	2.4
357.13315	2.2
359.14877	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.6
53.03940	1.1
54.03724	0.5
55.01868	1.4
57.03438	0.7
57.05319	0.6
58.89101	0.6
65.03931	1.0
66.04728	0.6
67.05483	1.3
69.03432	0.5
71.31688	0.8
77.03251	0.5
79.05486	7.8
81.07086	0.7
91.05479	6.5
93.07032	1.0
93.86056	0.5
94.04136	0.6
95.04961	1.4
95.08638	0.5
100.11209	0.5
103.05463	5.9
105.07027	24.4
106.04145	0.6
106.07366	1.3
107.04951	5.0
107.08591	0.8
108.05746	1.5
108.08912	0.6
109.06553	1.5
111.04384	0.8
115.05442	1.2
117.07033	0.7
118.04148	8.1
119.04980	3.8
120.05708	1.8
121.06512	2.5
122.07307	2.0
123.04459	0.7
123.08051	2.3
124.05219	1.8
125.05982	1.3
130.04079	0.6
131.04921	1.4
132.05687	1.6
133.02841	0.8
133.06487	23.6
134.06903	0.7
135.04382	3.6
135.08055	4.6
136.05180	0.8
137.05968	8.5
139.03911	0.6
146.03581	2.4
147.04427	2.5
148.05122	0.7
149.05957	4.4
150.06754	15.5
151.03912	14.5
151.05034	1.4
151.07561	4.9
153.05464	1.9
161.05969	3.2
163.03871	1.5
163.07553	1.1
163.11168	0.6
164.11513	1.1
165.09120	13.7
167.07051	12.0
168.07794	1.8
175.07622	0.5
177.05511	1.5
178.06256	2.4
179.07060	3.0
181.08501	0.6
188.04208	0.6
193.08601	60.4
194.08899	2.6
195.06511	1.3
196.07353	0.8
205.08568	2.8
211.09645	100.0
212.10036	5.5
245.09067	0.6
245.11475	3.9
252.59370	0.8
407.16656	3.3
407.21603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2215
Annotation	Erythrophloin F
Peak:m/z	Relative Intensity
53.03917	1.0
55.01847	1.4
55.05512	5.1
65.03919	0.8
66.36488	0.6
67.05503	12.0
69.03401	0.8
69.07034	2.4
69.30033	4.1
71.04952	1.6
79.05489	6.4
81.07055	9.3
81.29384	0.5
83.04984	7.5
83.08611	0.9
84.38173	0.6
85.06485	0.5
87.38643	0.6
88.56785	0.6
91.05479	8.0
93.07040	11.8
95.04977	3.7
95.08602	21.1
97.06496	1.6
97.10130	0.6
97.63517	0.6
98.22570	0.8
99.04415	1.2
103.05457	0.8
105.06379	0.8
105.07028	14.2
106.07319	0.7
107.08592	7.3
109.06527	3.5
109.10133	4.0
111.04443	4.2
111.08026	2.6
113.05979	1.1
115.05396	1.8
115.60388	0.6
117.07010	6.5
118.07700	0.6
119.07896	0.7
119.08591	7.7
120.08914	0.7
121.06502	1.2
121.10123	2.8
123.08055	5.5
127.71271	0.6
128.06197	2.8
129.07016	7.1
130.07834	0.9
131.08574	7.4
133.06509	0.8
133.10112	5.2
135.08066	1.3
135.11649	1.8
137.05930	0.8
137.33733	0.6
139.07491	1.4
141.06976	6.0
141.09087	2.0
142.07773	7.9
143.08568	8.5
145.06462	1.3
145.10110	4.5
147.08029	1.9
147.11647	1.6
152.06175	1.6
153.06978	5.9
154.07774	5.7
155.08546	47.9
156.09114	3.4
157.08904	1.0
157.10126	15.8
158.10516	0.9
159.08026	1.5
159.11662	2.4
160.08769	1.1
161.09593	3.0
161.13243	1.6
163.07593	0.9
163.11220	1.1
165.06981	6.9
166.07776	3.8
167.08565	12.6
168.09326	7.1
169.10126	39.1
170.10623	3.2
171.08041	4.3
171.11638	2.4
173.09541	0.7
175.07446	0.6
175.11133	2.0
177.08969	0.7
178.07751	4.3
179.08556	13.8
180.09332	4.8
181.06487	1.0
181.10117	21.7
182.10706	2.9
183.08110	2.8
183.11685	8.5
184.12299	0.7
185.09579	1.9
185.13202	1.7
187.11140	1.1
189.12718	1.8
191.08487	5.6
192.09332	10.0
193.10130	22.6
194.10852	6.7
195.08072	7.5
195.11690	16.6
196.12169	2.0
197.09595	2.2
197.13280	3.3
199.07559	2.9
199.11130	0.7
200.08315	0.8
201.09108	11.1
202.09496	0.7
203.08508	1.7
204.09285	1.2
205.10150	6.8
205.11961	1.0
206.10887	12.8
207.11681	31.5
208.12395	7.1
209.09631	2.0
209.13232	16.2
210.10379	0.7
210.13695	1.9
211.07457	0.9
211.11153	2.4
211.14865	0.9
213.09094	36.3
214.09564	2.3
215.08667	0.8
215.10638	1.4
216.09232	1.0
217.10121	1.1
218.10901	1.1
219.08125	0.7
219.11644	7.1
220.08743	0.6
220.12433	3.3
221.09618	1.8
221.13232	31.7
222.13841	5.8
223.11250	1.3
223.14801	38.1
224.15259	4.5
225.09053	3.8
225.12698	3.1
225.16289	2.0
227.01556	0.6
227.10689	4.4
229.10016	0.9
229.12155	1.2
231.11685	2.5
232.12379	1.6
233.09624	1.5
233.13205	5.0
234.10458	0.9
234.13925	1.7
235.11111	2.3
235.14749	4.5
236.15372	1.1
237.09050	1.4
237.12776	1.0
237.16293	1.0
239.10664	6.2
239.14258	1.0
240.11050	1.0
241.12173	1.0
243.11626	1.0
245.13216	1.6
247.11220	1.8
247.14804	4.9
248.12059	0.7
248.15564	1.3
249.12767	5.6
249.16342	6.2
250.13322	1.2
250.16682	0.7
251.10687	2.7
251.14211	1.5
252.11414	1.1
253.12149	6.2
257.13324	0.7
259.11032	0.8
259.14786	1.0
261.12717	1.3
261.16293	1.2
262.17117	1.1
263.10663	0.6
263.14304	1.3
263.17932	3.9
264.18643	3.2
265.12143	3.9
265.19199	0.6
266.12878	3.1
267.13782	19.4
268.14474	5.7
269.15262	1.9
275.14221	2.8
279.13724	2.5
280.14648	0.7
287.14188	0.7
289.19370	0.6
290.16440	1.0
291.13736	2.0
293.15350	7.7
294.15689	0.9
295.16959	1.5
305.15274	1.0
307.16879	1.8
308.17694	6.0
343.20593	2.4
345.22089	0.8
347.19986	2.5
353.18982	0.7
361.21548	6.7
362.21991	1.0
363.23151	100.0
364.23517	13.7
365.20981	1.5
371.20181	1.9
389.21069	56.1
390.21393	7.3
407.22137	64.3
408.22467	8.1
422.99561	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01867	2.7
55.05510	7.4
56.82933	0.6
57.03429	1.4
61.03820	0.5
65.03932	1.2
67.05503	18.0
69.03433	1.5
69.07064	4.0
71.04967	0.7
72.64951	0.5
77.03906	0.6
79.05495	6.8
81.07053	15.1
83.04982	11.3
83.08624	1.5
84.75494	0.5
85.06527	0.8
91.05480	9.6
93.07045	14.2
95.04966	5.8
95.08604	34.0
96.08949	1.2
97.06513	3.0
97.10162	1.3
98.22975	4.0
99.04427	1.4
105.07027	16.2
107.04932	1.0
107.08591	8.9
108.53167	0.6
109.02838	0.6
109.06514	2.8
109.10155	7.8
111.04438	4.4
111.08074	4.0
113.06007	2.3
115.05454	1.5
117.07012	5.3
119.08566	10.9
121.06505	2.4
121.10147	5.6
123.08064	6.6
123.11736	1.7
125.09611	0.8
127.07537	0.6
128.06219	3.2
129.07002	6.1
131.08566	8.7
132.08792	0.7
133.06470	1.7
133.10117	7.1
134.10487	0.5
135.08041	2.1
135.11700	2.2
137.05992	1.2
137.09663	0.8
139.07524	1.6
141.06984	3.9
141.09093	2.6
142.07758	5.9
143.08559	8.3
144.09125	0.6
145.06459	1.7
145.10112	6.7
147.08060	2.4
147.11662	7.2
149.09627	1.4
152.06201	1.5
153.06992	4.4
154.07776	3.5
155.08549	30.3
156.09134	2.4
157.08911	0.7
157.10130	12.7
159.08025	2.1
159.11728	4.4
160.08784	1.1
161.05997	0.9
161.09625	5.1
161.13258	1.7
163.07571	0.9
163.11134	1.0
165.06972	4.8
166.07751	3.2
167.08556	8.8
168.09352	6.2
169.10138	20.9
170.10724	2.0
171.08092	2.7
171.11673	3.4
173.09613	3.0
173.13252	1.6
175.07491	0.7
175.11176	5.1
175.14870	1.0
177.09109	1.1
177.12718	0.9
177.16306	1.1
178.07748	6.0
179.08536	14.0
179.10176	0.8
179.10793	0.8
180.09329	3.1
181.10107	15.3
182.10837	2.7
183.08063	1.8
183.11661	4.5
185.09685	3.2
185.13266	2.4
187.11142	3.4
187.14839	1.8
189.12814	1.6
189.16405	0.9
190.07793	1.8
191.08565	7.9
191.10332	1.0
192.09329	19.4
193.10123	28.4
194.10753	5.5
195.08020	3.0
195.11713	10.0
196.12381	1.0
197.09615	3.6
197.13231	3.1
199.07579	1.8
199.11133	1.9
199.14880	0.7
200.08217	0.6
201.09091	7.5
201.12740	2.5
201.16371	1.2
202.09512	0.6
203.08675	1.3
203.10628	1.3
203.14305	1.2
204.09315	1.4
205.10130	15.0
205.12004	1.1
206.10876	9.4
207.11678	100.0
208.12128	10.6
209.09656	5.7
209.13226	12.3
210.10149	1.1
210.13686	1.2
211.07576	1.1
211.11299	2.9
211.14671	1.4
212.11528	0.5
213.09093	19.4
213.12477	1.1
213.16487	0.7
214.09598	2.0
215.08727	1.0
215.10677	5.1
215.14241	2.8
216.09361	0.9
217.10172	2.0
217.15962	0.9
218.10851	3.1
219.11693	10.7
219.13713	1.2
220.12411	4.5
221.09717	1.3
221.13252	24.5
222.13687	2.1
223.11385	3.5
223.14801	12.7
224.11711	1.0
224.15436	1.5
225.07184	0.6
225.09105	2.6
225.12755	3.3
225.16338	1.6
227.10667	19.8
227.14153	1.2
228.11017	2.1
229.10268	1.3
229.12280	1.6
229.15860	1.6
230.10841	0.8
231.11659	5.4
232.12383	2.0
233.09599	1.1
233.13254	15.0
234.10483	0.8
234.13757	2.9
235.11177	4.6
235.14771	10.0
236.15259	0.7
237.09058	1.0
237.12761	1.6
237.16315	1.2
238.09924	0.6
239.10626	5.3
239.14319	1.2
240.11229	0.7
241.12225	8.4
243.11638	1.8
244.12457	1.4
245.13196	5.1
246.13950	1.2
247.11125	2.9
247.14824	9.0
248.11954	1.0
248.15265	0.9
249.12724	14.5
249.16370	3.6
250.13133	1.9
250.16570	0.6
251.10724	2.6
251.14294	2.9
251.18120	0.8
252.11372	0.7
252.14767	0.7
253.09868	1.1
253.12222	9.3
253.14972	0.8
253.15971	0.9
253.19392	0.8
254.12596	1.1
255.13832	0.8
257.13217	1.7
258.13943	1.2
259.11172	1.2
259.14755	2.9
260.12207	0.6
261.12769	1.9
261.16254	1.4
262.17160	0.7
263.14328	1.8
263.17990	1.1
264.18689	1.4
265.12250	8.3
265.19531	0.7
266.13004	4.8
267.13794	56.3
268.14264	5.1
269.15350	4.9
270.15878	0.6
271.14713	2.1
272.15475	0.6
273.12668	2.0
273.16345	4.4
275.14288	4.6
277.12247	1.8
277.15707	1.0
278.13071	1.0
279.13745	6.1
280.14441	1.5
281.15381	3.0
283.14728	0.6
287.14395	1.4
287.17947	0.6
289.12494	0.6
289.15808	2.1
290.12885	0.7
291.13779	3.8
291.16916	0.8
293.11917	0.8
293.15335	13.1
294.15726	2.3
295.17102	3.6
301.16003	1.3
301.19455	2.6
302.19904	0.8
305.15201	3.8
306.15750	0.7
307.16910	5.0
308.17657	9.0
309.18210	1.1
311.17834	1.4
315.17294	2.4
319.13235	1.0
319.16919	1.6
325.25070	1.1
329.15552	1.0
329.18942	3.4
331.16873	2.2
332.17569	0.8
333.14890	1.0
333.18448	7.2
334.18701	1.0
337.25409	1.3
343.20538	5.2
344.20908	0.7
347.16437	1.0
347.20065	4.5
348.20337	0.7
353.18890	1.9
361.21603	11.5
362.21777	1.2
363.23145	37.3
364.23602	5.1
371.19992	8.4
372.20212	1.0
379.22464	0.9
389.21045	37.8
389.31912	1.5
390.21365	4.4
407.22049	63.6
407.33527	7.2
408.22412	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2218
Annotation	Erythrophloin F
Peak:m/z	Relative Intensity
53.03936	1.0
53.30807	0.9
55.01877	1.2
55.05512	5.0
55.68076	0.8
57.03431	1.3
67.05504	13.1
69.03416	1.4
69.07040	2.7
71.04954	1.6
79.05490	7.3
81.07053	9.5
83.04569	0.8
83.04994	12.9
83.08591	1.7
86.59035	0.8
91.04957	1.2
91.05480	11.0
92.05749	1.2
93.07038	13.1
93.76756	0.9
95.04955	2.6
95.08602	27.5
97.06525	2.8
98.23499	1.5
105.07028	14.8
107.04916	1.3
107.08591	6.4
109.02868	0.9
109.06490	3.0
109.10126	4.6
111.04440	5.6
111.08057	3.9
113.05988	1.4
115.05459	2.8
117.06980	4.1
119.08578	10.6
121.06472	2.1
121.10099	3.6
123.08045	6.1
125.09644	0.9
128.06229	5.1
129.07039	6.6
130.07741	1.2
131.08557	5.9
133.10118	7.6
135.08037	2.1
135.11688	1.9
137.05949	1.8
137.09563	1.3
141.06989	7.5
141.09081	2.7
142.07784	8.9
143.08565	10.3
144.08885	1.1
145.10072	5.4
147.08054	3.3
147.11624	2.8
152.06119	1.5
153.06953	5.2
154.07782	6.3
155.08549	51.3
156.09035	3.9
157.10129	22.8
159.08046	1.8
159.11668	2.5
161.09686	4.3
161.13269	1.4
163.11194	1.2
165.06981	8.7
166.07732	4.1
167.08539	11.1
168.09308	7.9
169.10123	40.6
170.10538	2.8
171.07993	4.4
171.11662	3.5
173.09590	1.2
175.11150	3.1
178.07761	5.0
179.08557	15.6
180.09319	5.5
181.10103	22.5
182.10706	3.6
183.08015	3.5
183.11687	7.9
184.12340	1.0
185.09570	3.2
185.13219	2.2
189.09082	1.2
189.12683	2.2
191.08540	4.2
192.09331	13.2
193.10115	26.8
194.10858	6.8
195.08026	6.3
195.11700	17.5
196.12186	2.6
197.09601	2.4
197.13237	2.7
199.07529	3.7
199.14755	1.2
201.09079	11.1
203.08499	1.0
205.10106	8.6
205.12010	1.2
206.10883	10.5
207.08257	1.5
207.11676	37.5
208.12376	7.4
209.09544	2.2
209.13243	16.0
211.07527	1.1
211.11125	3.2
211.14857	1.2
213.09094	37.1
213.12675	1.8
214.09590	2.3
215.10638	2.0
217.09946	1.3
219.07939	0.9
219.11700	7.0
220.08607	1.2
220.12267	3.6
221.09697	1.9
221.13249	32.3
222.13768	4.7
223.11235	2.1
223.14806	33.1
224.15279	3.3
225.09093	4.6
225.12735	2.9
225.16316	1.2
227.10637	7.0
230.58601	0.9
231.11586	1.9
232.12381	2.2
233.13251	6.6
234.13867	1.9
235.11098	2.1
235.14812	6.6
236.15260	1.2
237.08998	2.2
237.12645	1.7
237.16275	1.7
239.10721	5.1
239.14235	1.1
240.11186	0.9
241.12126	2.7
245.13254	1.9
246.13901	1.2
247.11288	1.7
247.14758	5.4
248.15237	1.3
249.12709	6.6
249.16473	6.2
251.10658	2.8
251.14224	2.0
253.12213	8.1
261.16168	1.9
263.17834	2.9
264.18655	3.4
265.12106	4.2
265.15735	1.8
265.18781	1.1
266.12933	3.7
267.11118	1.8
267.13794	25.6
267.16861	2.1
268.14368	6.0
269.15164	3.0
275.14243	2.4
279.13754	2.7
281.15353	1.1
287.14502	1.1
287.17776	1.8
291.13672	2.1
293.15411	9.4
294.15826	1.2
295.16956	2.0
307.16827	2.4
308.17603	5.6
319.16754	1.2
329.18646	1.1
333.18384	1.5
343.20410	2.3
345.21793	0.9
347.20087	2.0
353.19229	1.1
361.21710	7.2
362.21466	1.2
363.23157	100.0
364.23462	11.3
371.19910	4.8
389.21057	56.3
389.25134	1.0
389.26169	2.1
390.21478	8.4
407.21994	67.0
408.22238	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.8
55.01860	4.0
55.05502	8.5
65.03941	2.3
67.05495	9.3
68.99807	2.0
69.03429	9.1
69.07072	3.8
71.30734	2.2
71.31127	3.5
73.03670	1.7
79.05480	20.2
81.03421	2.2
81.07055	35.7
82.07360	1.8
83.04981	4.3
85.02919	1.8
91.05481	32.5
91.44636	1.8
93.07046	21.1
95.04964	11.5
95.08610	13.8
97.02898	18.2
97.06525	7.7
99.04443	10.0
103.05488	2.8
105.07032	25.4
107.04955	4.6
107.08573	9.7
109.02867	3.9
109.06515	24.1
109.10156	3.3
111.04449	7.8
111.08105	6.3
113.02375	6.0
115.05462	6.9
116.06339	2.0
117.07021	12.4
119.08587	17.3
121.06522	6.2
121.10133	4.9
123.04424	2.4
123.08060	4.8
125.06021	1.9
127.03914	5.0
128.06194	15.0
129.07004	29.7
130.07825	2.2
131.08556	34.6
133.06500	3.2
133.10124	68.3
134.10463	2.6
135.08051	4.5
135.11708	7.4
137.05968	37.1
139.07544	4.5
141.06976	13.0
142.07788	6.0
143.08551	46.5
145.06514	3.7
145.10097	10.2
147.08049	17.5
147.11682	7.7
149.09621	3.1
151.07542	2.0
152.06212	2.9
153.06999	11.7
154.07796	4.4
155.08553	26.9
156.09335	12.4
157.06526	2.5
157.10121	16.9
158.10956	2.2
159.08109	9.5
159.11673	4.3
161.05991	2.3
161.09641	6.9
163.07535	2.7
165.06969	11.9
166.07794	11.0
167.07182	3.0
167.08525	17.4
168.09233	2.1
169.06470	2.4
169.10095	16.0
170.07297	3.1
170.10953	12.6
171.08057	28.2
171.11678	31.6
172.12366	4.0
173.05994	2.4
173.09633	3.3
173.13255	61.0
175.07553	9.0
175.11154	3.0
178.07787	8.0
179.08540	26.3
180.09286	11.2
181.10117	47.8
182.10788	5.9
183.08040	4.3
183.11641	14.6
184.08777	1.9
184.12289	2.0
185.09653	5.4
185.13239	46.7
185.14761	3.3
187.07622	4.2
189.09171	6.5
191.08563	5.7
192.09367	14.8
193.08498	3.1
193.10118	22.7
194.07259	2.6
194.10857	7.7
195.08081	4.8
195.11684	23.3
197.09669	6.8
197.13272	15.0
198.13692	2.3
199.07581	2.6
199.11128	16.2
199.14944	2.2
203.08606	4.0
204.09348	5.8
205.10101	10.6
206.10878	11.4
207.08211	2.9
207.09883	3.6
207.11687	24.4
208.08780	2.4
208.12466	2.5
209.09598	19.5
209.13229	18.8
210.10153	2.3
211.11209	7.9
211.14760	10.3
212.11996	2.3
213.12743	100.0
214.13142	6.1
215.08588	3.6
216.09377	4.5
217.08453	2.6
217.10219	5.9
218.10858	5.0
219.08185	2.1
219.11693	15.1
220.12479	7.4
221.09755	4.6
221.13252	31.2
222.13939	6.8
223.11186	6.7
223.14786	17.2
224.11823	2.3
224.15569	3.4
225.09106	4.4
225.12784	6.5
225.16330	4.5
227.10759	3.6
227.14342	2.5
229.10091	3.1
230.10811	2.7
231.11722	11.4
232.12315	2.8
233.09735	2.8
233.13281	7.9
234.10466	2.7
234.14069	5.6
235.09375	3.5
235.11404	4.5
235.14888	11.9
236.15479	2.7
237.09135	2.3
237.12740	17.5
237.16437	6.2
238.13506	3.6
239.14366	8.6
239.17963	4.0
241.15851	3.2
243.11681	4.3
244.12543	4.6
245.13187	4.5
246.14058	1.9
247.11205	3.5
247.14812	4.7
248.12035	4.5
248.15692	3.6
249.12794	15.9
249.16393	16.1
250.13359	2.8
250.16827	2.1
251.14304	14.4
251.18076	9.6
252.15080	12.6
253.10193	2.8
253.15907	6.1
253.19514	9.6
254.11023	2.0
257.13388	3.3
258.14191	2.3
259.11230	2.3
259.14853	8.5
261.12845	2.0
261.16364	6.5
263.14993	3.3
263.17950	22.3
264.18619	5.0
265.15891	7.4
265.19412	4.3
267.14093	4.0
267.17429	5.0
269.12939	3.0
269.15533	4.3
269.18311	2.0
270.16193	5.4
271.11270	3.1
271.14816	3.2
272.15628	2.0
273.16312	5.7
274.17236	2.5
275.14355	4.0
275.17514	2.5
277.15741	13.4
279.17426	27.0
280.17856	2.6
281.19009	32.6
282.19421	4.6
283.14804	3.3
285.12680	2.7
286.13660	2.2
287.14343	2.5
290.16785	4.1
291.17377	22.9
292.18048	10.0
293.18787	3.7
295.17059	3.7
301.15881	5.9
301.19351	2.2
305.15485	2.0
309.18457	28.4
310.19025	3.9
311.14322	3.5
315.20648	2.0
319.16989	2.6
325.19348	3.4
329.15457	4.3
329.19067	4.6
343.20602	9.9
344.21173	2.5
345.18481	2.5
347.16373	3.5
347.20108	4.4
353.18887	2.1
361.21606	11.4
363.19537	3.5
365.17371	7.6
371.20132	10.0
379.22641	6.2
389.21014	24.1
390.21399	3.9
407.22186	88.5
408.22479	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.6
55.01880	4.8
55.05515	15.1
55.51918	1.5
57.03429	2.1
57.07077	3.2
57.19965	1.6
65.28840	1.4
67.05505	25.5
67.05844	2.6
69.03412	3.9
69.07072	8.7
71.04999	2.5
71.08621	2.2
77.03915	1.5
79.05493	12.3
81.07051	25.1
83.04977	45.5
83.08617	3.4
84.05296	1.9
91.05480	21.8
93.07038	29.8
94.07314	1.8
95.04960	8.9
95.08602	52.1
96.08936	1.6
97.06510	4.1
97.10161	1.7
99.04436	2.6
105.07026	30.7
107.04969	3.2
107.08597	21.6
109.06512	8.7
109.10134	12.1
111.04468	7.4
111.08050	11.2
113.06010	2.4
115.05475	4.2
117.07020	9.2
119.08572	26.8
121.06507	7.4
121.10162	10.0
123.08080	15.2
123.11727	4.0
125.05960	2.5
125.09643	2.5
127.03910	1.9
128.06229	7.0
129.06998	9.6
130.07767	2.0
131.08574	15.5
133.06508	4.3
133.10112	18.3
134.10504	1.8
135.08057	3.4
135.11690	6.4
137.05975	2.3
137.09631	4.0
139.07570	3.1
141.06966	14.2
141.09119	4.0
142.07756	13.4
143.08553	24.7
144.09277	2.0
145.06516	4.4
145.10107	17.1
146.07115	2.5
147.08067	9.7
147.11693	10.3
149.09543	3.5
149.13289	1.7
152.06230	2.6
153.07025	5.5
154.07753	6.5
155.08548	41.7
156.09299	8.5
157.06500	3.4
157.10106	25.4
158.07315	3.4
158.10834	3.0
159.08058	10.9
159.11722	15.9
160.08827	2.0
160.12051	1.7
161.05995	2.3
161.09616	19.9
161.13269	4.2
163.11147	4.0
165.06963	7.4
166.07755	2.9
167.08568	11.8
168.09285	8.6
169.06526	1.7
169.10133	32.6
170.10854	6.6
171.08040	9.3
171.11694	13.2
172.08820	2.7
173.09644	7.7
173.13295	6.9
175.11169	9.6
177.12839	1.9
178.07852	4.3
179.08542	13.7
179.10843	1.8
180.09302	5.2
181.10118	19.1
182.10855	6.1
183.08099	7.0
183.11679	22.8
184.12247	2.0
185.09601	9.4
185.13239	16.5
187.11266	7.3
187.14883	2.4
189.12747	5.9
191.08585	4.5
192.09348	11.1
193.10126	21.3
194.10837	5.2
195.08051	8.1
195.11708	17.4
196.08829	3.6
196.12399	5.2
197.09602	11.1
197.13254	17.2
198.10326	2.9
199.07495	3.5
199.11134	9.7
199.14787	7.4
200.11748	1.7
201.09155	5.7
201.12691	11.6
201.16302	2.4
205.10124	7.6
206.10947	10.7
207.08134	2.9
207.11690	47.2
207.13664	3.4
208.12328	5.0
209.09593	6.4
209.13255	15.8
210.10449	2.9
210.13847	2.6
211.07607	2.1
211.11217	19.8
211.14842	13.5
212.11890	4.3
212.15297	2.0
213.09117	18.7
213.12675	14.4
214.13303	1.8
215.10716	3.1
215.14413	1.6
216.09302	1.7
218.10909	2.2
219.11566	9.0
220.12383	4.4
221.09720	1.9
221.13240	20.9
222.10272	2.2
222.13954	5.4
223.11261	8.9
223.14795	18.1
224.15331	3.2
225.09125	6.0
225.12726	17.2
225.16295	8.9
226.13322	2.8
227.10680	9.2
227.14252	8.9
229.12279	2.4
229.15881	2.0
229.26810	2.3
231.11702	3.0
232.12430	2.4
233.13419	7.3
233.15306	2.2
234.13857	4.3
235.11211	4.5
235.14850	6.4
237.12730	4.6
237.16406	3.7
238.13509	1.8
238.16933	2.2
239.10767	10.5
239.14352	12.6
239.17917	11.2
241.12289	3.0
241.15871	3.1
241.77602	1.6
245.13196	1.8
247.11118	2.3
247.14888	4.6
248.15594	2.6
249.12712	13.7
249.16312	8.7
250.17111	2.4
251.10518	2.0
251.14317	6.6
251.17993	3.1
252.15010	2.0
253.12219	5.5
253.15889	5.4
259.14853	3.5
261.12784	2.0
263.17880	2.7
265.12271	5.9
265.15848	5.7
265.19464	3.2
266.13397	2.0
266.16620	4.6
267.13834	28.9
267.17426	27.1
267.21085	5.6
268.14294	4.2
268.17911	2.3
269.15579	2.7
269.18942	3.3
273.12662	2.4
273.16275	2.6
275.14410	4.2
275.17575	2.2
277.15662	2.9
279.13864	2.5
279.17322	2.9
281.15460	2.2
287.14413	2.0
291.13892	1.7
291.17386	2.6
293.15359	8.9
293.18964	6.7
295.17038	3.6
295.20395	2.4
307.16946	2.2
307.20541	2.6
308.17575	4.6
308.21317	3.7
308.25064	1.6
309.18405	2.3
329.18701	2.3
333.18533	5.0
333.22244	2.7
343.20657	2.3
347.20016	3.2
361.21527	7.6
361.25461	5.3
363.23166	41.8
364.23407	5.4
371.20047	5.8
371.24039	2.1
389.20453	24.0
389.25690	16.2
390.21356	4.0
407.21838	23.4
407.25778	100.0
407.29382	9.0
408.21747	3.0
408.26367	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.05508	16.9
57.07072	1.5
65.03947	0.7
67.05507	9.0
69.03433	1.4
69.07062	4.9
69.56117	3.6
79.05481	6.1
79.43499	0.7
81.07060	8.9
83.04980	42.9
83.08629	1.4
84.05331	1.2
91.05482	9.5
93.07046	11.8
95.04968	2.8
95.08605	16.3
97.06534	1.7
98.22678	1.6
105.03363	0.9
105.04495	0.8
105.07027	11.9
107.04987	1.0
107.08598	9.3
109.06529	2.0
109.10149	5.3
111.04441	4.1
111.08092	3.9
113.06007	1.4
115.05479	1.6
117.07037	2.7
119.08587	10.5
121.06487	3.6
121.10123	4.3
123.08096	5.7
123.11700	1.1
128.06258	3.1
129.06985	4.3
131.08565	7.1
133.06532	1.3
133.10133	7.1
135.08064	1.8
135.11734	3.2
137.05936	1.3
139.07523	1.1
141.06998	6.7
141.09198	1.1
142.07794	3.3
143.08563	9.3
144.09343	1.5
145.06485	3.1
145.10109	7.5
146.07249	0.9
147.08063	5.5
147.11702	2.9
149.09654	1.3
153.07008	1.4
154.07829	1.1
155.08543	10.3
156.09335	2.6
157.06503	1.3
157.10149	7.6
158.07306	1.7
159.08022	5.4
159.11722	4.6
160.08769	0.8
161.09619	11.1
161.13268	2.2
163.11206	2.7
165.07076	2.3
166.07603	1.1
167.08534	4.2
168.09352	2.5
169.06374	0.9
169.10136	8.5
169.85388	0.8
170.07217	0.8
170.10870	4.1
171.08022	3.5
171.11674	6.4
172.08823	1.3
173.09604	4.4
173.13281	2.1
175.11128	4.3
178.07774	1.1
179.08626	2.9
180.09282	1.9
181.06526	1.0
181.10179	4.1
182.10861	1.7
183.08075	3.2
183.11684	11.5
184.08804	0.9
184.12375	2.2
185.09668	4.7
185.13263	9.6
187.11191	3.4
187.14761	0.9
189.06989	1.3
189.12706	3.5
192.09351	1.8
193.10130	5.4
194.10907	1.8
195.08086	1.2
195.11697	5.3
196.08839	2.3
196.12447	2.5
197.09616	5.0
197.13257	6.6
197.82608	0.9
197.94923	0.8
198.10408	2.3
199.11147	8.0
199.14854	3.8
200.11890	0.8
201.12730	9.2
201.14406	1.0
203.14171	0.8
205.10132	2.2
205.12180	0.8
206.07379	1.8
206.10820	1.2
207.11707	7.8
208.12224	1.3
209.09599	2.7
209.13243	4.3
210.10391	2.0
211.11188	10.5
211.14680	3.6
212.11943	2.4
213.12753	10.9
213.16336	1.1
214.13432	1.0
215.10703	1.2
215.14316	1.5
219.11765	2.9
220.12517	2.2
221.13251	3.8
222.14003	1.3
223.11234	3.1
223.14819	3.2
224.12007	1.3
225.12737	8.6
225.16379	2.0
226.13400	0.9
227.14287	6.6
228.14767	1.1
232.12523	1.1
233.13292	4.1
234.06895	0.9
235.07521	1.0
235.11224	1.9
235.14825	3.1
236.12088	1.3
236.15587	1.2
237.12799	2.7
237.16426	1.4
238.13481	1.4
239.14273	5.5
239.17918	5.7
241.12213	1.0
241.15926	1.7
245.13290	1.8
247.14894	2.4
248.15549	1.0
249.09161	3.3
249.12752	2.3
249.16414	3.2
251.14285	3.6
251.18109	1.5
252.15015	1.5
253.15891	4.3
261.12735	1.0
263.07294	1.1
263.14398	1.8
264.04205	3.2
264.07739	1.4
265.15903	3.1
265.19446	1.4
266.16650	1.5
267.14246	1.5
267.17438	20.3
268.03909	0.9
268.17926	2.2
269.18878	2.0
275.14481	1.7
277.08655	5.5
277.15857	1.5
279.14041	1.5
279.17542	2.6
291.17325	1.4
292.07248	2.3
293.07990	1.6
293.15549	1.6
293.18991	3.8
295.17108	1.5
295.20453	1.7
305.18790	1.1
307.09662	13.0
307.17099	1.0
307.20456	1.8
308.10208	2.2
308.17792	2.5
308.21243	1.7
309.18271	1.5
310.04553	1.1
320.10492	1.3
325.07300	4.5
325.10571	1.3
326.07678	1.2
333.18680	1.2
361.25314	4.5
371.19846	1.6
379.26257	1.8
389.20676	1.4
389.24884	11.3
390.25159	1.4
407.10379	4.2
407.15073	4.1
407.25830	100.0
408.26166	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.258
Annotation	Nandrolone phenpropionate
Peak:m/z	Relative Intensity
53.03938	1.0
55.05509	3.3
59.38268	0.5
60.48346	0.5
67.05505	7.2
67.16499	0.5
69.03423	1.0
69.07078	2.8
69.58357	3.0
70.06188	0.5
79.05482	4.9
81.07058	7.2
83.04981	8.4
83.08622	0.6
88.54664	0.5
91.05478	6.1
93.07045	9.5
95.04990	2.5
95.08602	12.4
97.06507	1.4
105.07027	9.4
107.04972	0.8
107.08595	7.5
109.06516	2.7
109.10155	3.4
111.04429	2.0
111.08089	2.3
113.05972	0.7
115.05480	1.1
117.07030	3.5
119.08569	7.4
121.05766	0.5
121.06467	3.0
121.10159	3.1
123.08075	4.1
123.11766	0.5
125.09656	0.9
128.06229	2.8
129.07024	3.9
130.07811	0.6
131.08549	5.7
133.06516	1.7
133.10130	7.3
135.08083	1.7
135.11682	1.5
137.09569	0.8
139.07547	1.3
141.06996	6.2
141.09084	0.9
142.07780	3.7
143.08568	8.4
144.09364	0.5
145.06468	2.0
145.10110	6.5
146.07198	0.7
147.08043	4.6
147.11731	2.4
149.09631	1.1
153.06990	1.8
154.07649	1.2
155.08531	8.7
156.09338	2.8
157.06494	1.4
157.10149	7.1
158.07277	1.2
159.08032	5.9
159.11688	2.7
160.08673	0.6
160.49437	0.5
161.09615	11.4
161.13235	1.0
163.11160	1.8
165.07042	2.4
166.07776	0.8
167.08554	2.2
168.09351	3.6
169.10124	7.3
170.07211	0.9
170.10901	3.1
171.08026	3.5
171.11691	6.2
172.08807	1.2
173.09660	3.4
173.13284	2.5
175.11172	3.6
178.07835	0.7
179.08562	2.7
179.10742	0.7
180.09355	1.1
181.06516	0.6
181.10123	4.8
182.10912	2.3
183.08128	2.5
183.11687	11.4
184.08842	1.1
184.12367	1.0
185.09625	4.9
185.13269	9.1
186.13664	0.6
187.11185	3.3
187.14838	0.6
189.12776	2.4
192.09288	0.9
193.10121	3.4
194.10905	1.6
195.08067	1.9
195.11668	6.1
196.08855	1.5
196.12460	1.6
197.09644	5.1
197.13248	7.5
198.10390	2.2
199.11169	6.3
199.14886	1.9
200.11823	0.8
201.12735	6.3
205.10190	1.4
206.11008	1.2
207.11792	2.7
208.09035	0.5
208.12517	0.7
209.09641	2.9
209.13220	4.1
210.10382	1.7
210.13689	0.6
211.11183	11.6
211.14664	3.0
212.11890	2.5
212.15001	0.6
213.12743	13.3
214.13278	1.1
215.14355	0.9
219.11731	1.1
220.12427	1.0
221.09637	0.9
221.13316	1.4
222.13942	0.7
223.11302	2.4
223.14737	3.2
224.11951	1.4
225.12741	9.5
225.16232	2.6
226.13387	1.3
226.17055	0.6
227.14343	6.2
228.14900	0.7
229.15869	0.8
233.13232	1.3
234.14035	1.7
235.11113	0.8
235.14845	1.8
236.12059	0.8
237.12730	3.5
237.16257	1.2
238.13499	1.2
239.14314	6.9
239.17871	4.2
240.14867	1.3
241.15889	1.2
245.13277	0.7
249.12749	1.1
249.16411	2.0
250.13408	0.8
250.17149	1.0
251.14374	3.7
251.17886	0.9
252.15100	1.6
253.15848	5.6
263.14297	1.8
264.14929	0.8
265.15762	3.3
265.19489	1.3
266.16626	2.0
267.17429	18.1
268.17920	2.5
269.18991	1.9
275.17801	0.5
277.16016	1.4
279.17441	1.5
291.17508	1.6
293.18970	4.2
297.21924	1.0
305.19189	0.8
307.20651	1.5
308.21332	2.1
333.18549	1.1
333.22156	0.8
361.25278	4.9
365.24939	0.7
371.23727	1.0
379.26306	1.5
389.24728	10.2
390.24939	1.4
399.09085	0.7
407.25806	100.0
408.26117	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.05512	14.0
56.05843	0.2
57.03416	0.2
57.07076	0.1
63.61692	0.1
67.05502	1.5
67.43392	0.1
69.03429	0.5
69.07068	0.7
69.56049	0.4
72.29491	0.1
78.56828	0.1
79.05489	1.0
81.07056	1.5
83.04981	100.0
84.04488	0.1
84.05308	2.1
85.06563	0.1
91.05482	1.7
93.07045	2.3
95.04974	0.6
95.08607	3.1
97.06546	0.3
98.23331	0.1
103.05521	0.1
105.03376	1.5
105.07036	2.7
107.04970	0.2
107.08595	1.6
109.02919	0.1
109.06506	0.6
109.10150	0.8
111.04442	0.5
111.08092	1.1
113.05989	0.2
115.05447	0.2
117.07037	0.6
119.04974	0.2
119.08585	2.4
119.09438	0.1
121.06508	0.7
121.10120	0.7
123.08075	0.9
125.09644	0.2
128.06216	0.7
128.43437	0.1
129.07016	0.7
130.07808	0.2
131.08551	1.3
133.06500	0.3
133.10126	1.8
135.08047	0.4
135.11716	0.4
139.07510	0.5
141.06985	0.5
141.09105	0.3
141.78307	0.1
142.07764	0.6
143.08551	1.9
144.09299	0.2
145.06500	0.9
145.10117	1.4
146.07196	0.5
146.10912	0.1
147.08076	0.8
147.11681	0.6
149.09642	0.2
149.13286	0.1
153.07011	0.3
153.58937	0.1
154.07770	0.2
155.08568	1.2
156.09320	0.3
157.06491	0.4
157.10129	1.8
158.07272	0.2
158.10544	0.1
159.08057	1.1
159.11659	1.2
160.08830	0.2
161.09621	3.9
161.13261	0.4
162.09981	0.1
163.11201	0.5
165.06992	0.4
166.07729	0.2
167.08582	0.5
168.09367	0.6
169.06476	0.2
169.10117	1.7
170.07281	0.1
170.10895	0.3
171.08040	0.9
171.11693	1.1
172.08807	0.4
173.09639	0.6
173.13271	0.4
174.10408	0.2
175.11209	0.9
177.12715	0.1
178.07820	0.1
179.08591	0.5
179.10608	0.2
180.09308	0.3
181.06526	0.2
181.10068	0.9
182.10910	0.3
183.08078	0.6
183.11694	2.7
184.08934	0.2
184.12251	0.2
185.09662	0.7
185.13248	2.1
186.10367	0.3
186.13716	0.2
187.11168	0.6
187.14842	0.3
189.12779	0.7
191.08589	0.1
192.09329	0.2
193.10118	0.9
194.10866	0.3
195.08047	0.3
195.11713	1.0
196.08818	0.3
196.12463	0.3
197.09634	1.0
197.13306	0.9
198.10362	0.3
198.14108	0.1
199.11192	0.8
199.14864	0.3
200.11714	0.2
201.12746	3.7
201.14642	0.2
202.13167	0.3
204.09422	0.1
205.10124	0.2
206.10939	0.3
207.11642	0.9
208.12299	0.2
209.09598	0.6
209.13217	1.0
210.10364	0.4
210.13885	0.2
211.11206	2.2
211.14786	0.7
212.11891	0.9
213.12747	2.7
213.16270	0.2
214.13312	0.2
215.14322	0.3
217.10217	0.1
219.11644	0.3
220.12468	0.2
221.09438	0.2
221.13203	0.6
222.13921	0.1
223.11212	0.4
223.14720	0.6
224.12003	0.2
224.15570	0.3
225.12758	1.9
225.16193	0.5
226.13411	0.3
227.10799	0.2
227.14307	1.9
227.17749	0.1
228.14850	0.2
229.15828	0.3
231.13719	0.2
233.13268	0.4
234.14095	0.2
235.11203	0.2
235.14835	0.4
237.12738	0.8
237.16243	0.2
238.13353	0.1
239.14293	1.7
239.17841	0.5
240.14853	0.2
241.15843	0.4
245.15512	0.1
247.11229	0.1
247.14751	0.2
247.16954	0.2
249.12863	0.2
249.16396	0.8
250.17120	0.1
251.14331	0.8
251.17859	0.2
252.15115	0.3
253.15865	1.0
261.16360	0.1
263.14243	0.3
263.17877	0.2
264.14972	0.1
265.15753	0.8
266.16586	0.5
267.17447	4.7
268.17804	0.6
269.18884	0.5
275.14325	0.1
275.17773	0.1
277.16180	0.2
277.19397	0.2
279.17429	0.5
280.18051	0.1
281.18939	0.3
287.18094	0.1
289.19354	0.2
290.20288	0.2
291.17392	0.4
291.20566	0.2
293.18958	1.1
294.19626	0.2
295.17163	0.1
295.20560	0.3
297.18491	0.2
305.19043	0.7
307.20554	0.8
308.21359	0.7
309.18384	0.4
309.21677	0.2
315.17282	0.1
323.20053	2.1
324.20374	0.2
325.21634	0.8
333.18399	0.4
333.22046	0.2
351.19510	3.3
352.19833	0.3
361.25275	0.4
363.23233	0.1
365.24744	0.2
369.20615	2.3
370.20966	0.2
371.23523	0.1
379.26462	0.5
389.24710	2.0
390.25031	0.3
407.25803	19.0
408.26184	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2582
Annotation	Nandrolone phenpropionate
Peak:m/z	Relative Intensity
53.03942	1.0
55.01858	0.4
55.05513	4.9
57.03419	0.3
57.07067	0.4
65.03942	1.0
67.05505	9.5
69.03421	1.4
69.07066	4.3
71.04996	0.7
71.30717	0.2
71.32184	0.3
77.03916	0.6
79.05492	6.3
79.05959	0.3
81.07058	9.2
82.07395	0.4
83.04985	5.1
83.08633	1.2
85.06541	0.6
91.05483	9.0
93.07043	11.2
95.04974	2.6
95.08607	17.2
96.08931	0.5
97.06541	1.7
97.10175	0.4
98.84271	0.3
99.04464	0.8
103.05468	1.1
105.04505	0.5
105.07036	12.0
106.07358	0.3
107.04314	0.3
107.04937	1.2
107.08595	9.5
109.06519	3.5
109.10152	4.6
111.04449	1.8
111.08083	3.8
113.05990	0.7
115.05422	1.5
116.06244	0.3
117.07030	3.8
119.08581	10.6
120.08907	0.4
121.06513	3.9
121.10147	3.9
123.08067	4.9
123.11711	0.7
125.05983	0.5
125.09631	1.1
127.07541	0.4
128.06221	3.5
128.40744	0.3
129.07008	4.9
130.07764	0.6
131.04945	0.3
131.08580	6.7
133.06544	1.7
133.10127	8.4
134.10454	0.4
135.08081	2.7
135.11659	2.3
137.06024	0.8
137.09610	0.8
139.07533	1.4
139.11034	0.3
141.06984	6.6
141.09116	0.8
142.07788	3.6
143.08568	9.9
144.05701	0.7
144.09309	0.9
145.06493	2.6
145.10129	7.4
146.07265	0.9
146.10695	0.3
147.08047	5.1
147.11687	2.9
149.09625	1.5
149.13213	0.4
151.11194	0.4
152.06224	0.5
153.06976	2.1
154.07803	1.5
155.06125	0.4
155.08549	10.8
156.09348	3.4
157.06520	1.9
157.10121	8.4
158.07262	2.2
158.10844	0.6
159.08057	6.6
159.11699	4.3
160.08798	1.0
161.09621	13.1
161.13220	2.2
162.10054	0.6
163.11200	1.9
165.06972	2.0
166.07806	1.2
167.08583	3.6
168.09346	3.3
169.06456	0.7
169.07823	0.4
169.10124	8.9
170.07289	0.8
170.10919	3.7
171.08034	5.0
171.11697	6.6
172.08868	1.8
172.12421	0.4
173.09634	4.5
173.13249	2.5
174.10312	0.7
175.11198	5.5
175.14697	0.3
177.12766	0.5
178.07805	0.9
179.08556	2.8
179.10699	0.6
180.09340	2.1
181.06506	1.1
181.10107	6.0
182.07291	0.5
182.10941	2.7
183.08073	3.0
183.11684	13.0
184.08873	1.6
184.12378	1.7
185.09628	4.5
185.13254	10.9
186.10313	0.7
186.13696	0.9
187.11176	4.6
187.14859	0.7
188.11571	0.3
189.12747	3.0
191.08597	0.5
191.14429	0.3
192.09303	1.2
193.10123	3.8
194.10901	1.6
195.08037	2.5
195.09964	0.5
195.11688	6.1
196.08847	2.4
196.12427	2.4
197.09615	6.2
197.13254	8.2
198.10408	3.6
198.13757	0.8
199.11169	8.4
199.14835	3.3
200.11826	1.0
201.12738	8.6
201.16368	0.3
202.13116	0.5
203.08765	0.3
204.09201	0.3
205.10211	0.9
206.10910	1.1
207.08105	0.3
207.11691	4.0
207.13670	0.4
208.08867	1.0
208.12379	1.1
209.09647	3.0
209.13248	4.8
210.10376	2.3
210.13873	1.3
211.11185	14.9
211.14697	4.4
212.11884	3.5
212.15338	0.3
213.12735	16.3
214.13327	1.4
215.14355	2.0
218.10899	0.4
219.11710	1.3
219.13765	0.5
220.12491	0.8
221.09761	0.5
221.13254	2.2
222.10338	0.7
222.13918	0.5
223.11215	3.4
223.14738	3.1
224.11917	2.3
224.15317	1.2
225.12759	10.7
225.16241	2.8
226.13464	1.5
226.17044	0.3
227.14285	7.5
227.17787	0.3
228.14851	0.6
229.15904	1.3
231.11650	0.5
232.12453	0.5
233.13268	1.1
234.14005	1.1
235.11168	0.8
235.14769	1.4
236.11954	1.0
236.15524	0.5
237.12733	2.9
237.16301	1.8
238.13475	1.1
238.16953	0.4
239.14326	8.8
239.17989	5.1
240.14732	1.2
240.18192	0.6
241.15770	1.5
245.13242	0.6
246.13983	0.4
247.14827	0.8
248.11984	0.6
249.12746	1.0
249.16373	2.7
250.13525	0.8
250.17091	0.5
251.14311	3.5
251.17969	1.3
252.15009	1.8
253.15829	5.2
254.16396	0.6
255.17397	0.4
260.15540	0.3
261.16440	0.4
262.13681	0.3
263.14331	1.8
263.17688	0.5
264.15073	0.8
265.15918	4.0
265.19458	1.2
266.16660	2.2
266.19537	0.5
267.17429	22.3
268.17908	2.0
269.19022	2.0
272.15378	0.3
273.16443	0.6
275.17987	0.7
276.15112	0.3
277.15909	1.2
277.19238	0.5
278.16663	0.6
279.17444	2.4
279.20581	0.5
280.17709	0.3
280.21762	0.3
281.18857	0.3
289.19641	0.3
291.14377	0.3
291.17438	1.6
291.20508	0.4
293.18973	4.8
294.19528	0.7
295.20645	1.0
297.22086	0.5
301.15720	0.3
305.18970	0.6
307.20615	1.8
308.21222	1.6
309.21951	0.4
311.19797	0.3
315.17389	0.3
319.17007	0.4
319.20627	0.6
331.20578	0.4
333.18454	0.4
333.22086	0.7
333.25696	0.5
343.24353	0.4
347.20004	0.4
347.23721	0.5
361.21014	0.5
361.25244	5.5
362.25583	0.6
365.24731	1.0
371.23734	1.4
379.26425	1.5
389.24731	12.5
390.25015	1.2
407.25797	100.0
408.26126	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01867	0.1
55.05513	14.0
56.05843	0.2
57.03440	0.2
57.07066	0.2
63.23192	0.2
65.03932	0.2
67.05504	2.0
69.03436	0.4
69.07056	0.9
70.56160	0.2
79.05489	1.2
81.07066	1.5
83.04983	100.0
84.05310	1.9
85.06529	0.2
91.05484	2.0
93.07040	2.9
94.07352	0.2
95.04972	0.5
95.08607	3.8
97.06531	0.6
99.04478	0.2
103.05489	0.4
105.03396	1.5
105.07033	3.1
107.04943	0.2
107.08610	2.3
107.09303	0.3
109.06528	1.0
109.10175	1.2
111.04468	0.7
111.08076	1.1
113.06011	0.3
115.05479	0.4
117.07034	0.9
119.04948	0.2
119.08582	3.0
121.06530	0.8
121.10123	0.9
123.08056	1.1
123.11732	0.3
125.06050	0.2
125.09645	0.2
128.06226	0.6
129.06989	1.0
131.08586	1.6
133.06519	0.4
133.10139	2.4
135.08069	0.5
135.11714	0.5
136.60788	0.1
137.05986	0.3
137.09622	0.1
139.07545	0.6
141.06982	0.7
141.09181	0.2
142.07823	0.9
143.08562	2.2
144.09277	0.2
145.06500	0.9
145.10130	2.0
146.07315	0.7
147.08029	0.8
147.11684	0.7
149.09642	0.4
153.06993	0.4
154.07719	0.2
155.08578	1.6
156.09329	0.6
157.06519	0.4
157.10133	2.2
158.07237	0.2
159.08073	2.2
159.11697	1.3
160.08725	0.2
161.09625	4.6
161.13248	0.4
162.10030	0.2
163.11156	0.7
165.07053	0.5
166.07817	0.3
167.08545	0.8
168.09378	0.7
169.06477	0.2
169.10139	2.0
170.07262	0.1
170.10799	0.3
171.08069	1.3
171.11699	1.3
172.08858	0.6
173.09616	1.8
173.13304	0.5
174.10303	0.3
175.11223	1.2
177.12778	0.2
179.08583	1.0
180.09317	0.2
181.06479	0.2
181.10112	1.1
182.07343	0.2
182.10934	0.5
183.08147	0.7
183.11690	3.1
184.08861	0.2
184.12424	0.3
185.09637	1.1
185.13252	2.0
186.10413	0.5
187.11131	1.2
187.14879	0.3
189.12796	0.8
192.09351	0.4
193.10136	0.8
194.10870	0.5
195.08049	0.4
195.11723	1.2
196.08827	0.4
196.12469	0.4
196.43079	0.2
197.09622	1.5
197.13240	1.2
198.10347	0.3
199.11154	1.2
199.14830	0.5
200.11914	0.2
201.12758	4.9
201.14648	0.3
202.13007	0.3
203.14388	0.2
205.10152	0.3
206.10962	0.4
207.11684	1.1
208.12344	0.2
209.09673	0.6
209.13226	1.3
210.10434	0.5
210.13960	0.3
211.11192	3.0
211.14694	1.0
211.58691	0.1
212.11943	0.8
213.12749	3.2
213.16119	0.2
214.13422	0.3
215.14305	0.3
219.11710	0.5
219.13811	0.1
220.12358	0.3
221.13235	0.7
223.11214	0.6
223.14703	0.8
224.15591	0.3
225.12735	2.4
225.16170	0.7
226.13310	0.3
227.10875	0.2
227.14319	1.8
229.15930	0.4
231.13863	0.3
232.12328	0.2
233.13277	0.3
234.13945	0.2
235.11116	0.2
235.14873	0.5
237.12785	0.6
237.16373	0.2
238.13408	0.3
239.14326	2.1
239.18016	0.5
240.14774	0.3
241.12375	0.1
241.15938	0.5
245.13081	0.2
247.14845	0.4
247.17119	0.2
249.12706	0.3
249.16444	1.0
250.16891	0.2
251.14351	1.0
251.17912	0.4
252.15010	0.4
253.15883	1.1
261.16458	0.3
263.14471	0.3
263.17886	0.2
265.15967	0.9
265.19052	0.1
266.16592	0.5
267.17441	5.9
268.18057	0.5
269.18921	0.4
273.16336	0.2
275.18137	0.2
277.15900	0.3
277.19556	0.2
279.17334	0.6
279.20844	0.1
280.18045	0.2
280.21848	0.2
281.18936	0.3
290.20309	0.3
291.17499	0.3
293.18994	1.5
294.19391	0.2
295.20724	0.3
297.18533	0.2
305.19086	0.6
306.19479	0.3
307.20670	0.5
308.21332	0.8
309.18524	0.3
315.17285	0.3
323.20062	1.9
325.21692	0.9
333.18515	0.5
333.21893	0.2
338.98297	0.1
341.58688	0.2
351.19534	2.7
352.19867	0.2
361.21445	0.2
361.25497	0.8
365.24884	0.2
369.20618	2.3
370.21027	0.4
371.23782	0.3
379.26343	0.5
389.24771	2.9
390.25076	0.3
407.25848	23.6
408.26212	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.05511	14.8
56.05836	0.4
57.03429	0.3
57.07062	0.4
65.03932	0.4
67.05506	2.2
69.03423	0.6
69.07062	1.1
79.05491	1.5
81.07065	2.5
83.04979	100.0
84.05299	1.8
85.06542	0.2
91.05479	2.5
93.07046	3.2
95.04978	0.8
95.08601	4.7
97.06545	0.4
97.10150	0.2
99.04448	0.3
103.05448	0.4
105.03403	1.3
105.07024	3.6
106.07381	0.2
107.04983	0.4
107.08600	3.2
109.06520	0.8
109.10161	1.1
111.04456	0.8
111.08057	1.1
113.06010	0.3
115.05441	0.3
117.07021	1.4
119.04964	0.3
119.08573	3.7
121.06502	1.0
121.10150	1.4
123.08068	1.2
128.06203	1.1
129.07030	1.2
130.07799	0.3
131.08568	2.4
133.06519	0.5
133.10132	2.4
135.08044	0.4
135.11681	0.6
137.06001	0.2
139.07558	0.7
141.06985	1.0
141.09108	0.4
142.07771	1.0
143.08557	3.0
144.05714	0.3
145.06473	0.8
145.10126	2.1
146.07268	0.9
147.08029	1.1
147.11665	0.8
153.07027	0.4
154.07797	0.4
155.08557	2.0
156.09328	0.7
157.06523	0.7
157.10121	2.4
158.07248	0.7
158.10823	0.2
159.08060	1.9
159.11694	1.6
160.08722	0.3
161.09618	5.9
161.13258	0.6
163.11208	0.6
165.06985	0.7
166.07870	0.3
167.08554	0.9
168.09351	0.6
169.06485	0.3
169.10072	2.2
170.10860	0.6
171.08025	1.5
171.11691	2.0
172.08813	0.6
173.09625	0.8
173.13280	0.5
174.10384	0.3
175.11198	1.5
177.12712	0.2
178.07861	0.3
179.08551	0.6
179.10823	0.2
180.09239	0.3
181.06436	0.3
181.10106	1.3
182.07251	0.4
182.10869	0.5
183.08112	1.1
183.11676	3.8
184.08873	0.3
184.12213	0.4
185.09569	1.4
185.13246	2.5
186.10384	0.5
187.11189	0.6
187.14771	0.4
189.12703	1.4
192.09358	0.4
193.10042	1.1
194.10872	0.5
195.08046	0.7
195.11700	1.3
196.08830	0.8
196.12395	0.7
197.09630	1.9
197.13235	1.4
198.10393	0.8
198.14012	0.2
199.11166	1.6
199.14894	0.4
200.12053	0.2
201.12735	5.2
202.13165	0.3
205.10179	0.3
206.10907	0.3
207.11722	1.2
208.12375	0.3
209.09743	1.0
209.13223	1.6
210.10378	1.0
210.13997	0.3
211.11192	4.1
211.14729	1.2
212.11948	1.2
213.12741	5.1
213.16339	0.2
214.13174	0.4
215.14336	0.5
219.11729	0.6
220.12444	0.3
221.09743	0.3
221.13249	0.7
222.10353	0.3
223.11172	0.7
223.14763	1.0
224.11916	0.5
224.15623	0.5
225.12749	3.1
225.16286	0.9
226.13344	0.7
227.14291	2.6
229.15932	0.3
231.11786	0.2
234.13870	0.2
235.11328	0.3
235.14769	0.7
236.11923	0.3
237.12747	0.8
237.16354	0.4
238.13451	0.4
239.14331	2.9
239.17950	0.9
240.14857	0.5
241.15811	0.5
243.11780	0.2
247.14807	0.5
247.17085	0.2
248.15501	0.2
249.12660	0.3
249.16345	1.3
250.13586	0.3
250.16965	0.2
251.14325	0.9
251.18063	0.3
252.15105	0.7
253.15855	1.9
263.14160	0.3
264.14951	0.3
265.15921	1.6
265.18515	0.2
266.16641	0.6
267.17416	8.5
268.17975	0.7
269.19107	0.5
270.56216	0.2
275.17899	0.2
277.15903	0.3
277.19449	0.2
279.17508	0.7
281.19012	0.3
290.20093	0.3
291.17548	0.5
293.18985	1.6
294.19415	0.3
295.17273	0.2
295.20389	0.4
305.18942	0.6
307.20587	0.9
308.21320	0.9
309.18637	0.4
309.21872	0.3
323.20050	1.8
325.21558	0.6
331.94174	0.2
333.18512	0.4
333.22327	0.2
351.19492	2.6
352.19748	0.2
361.25348	0.7
365.24487	0.3
369.20569	1.9
371.23746	0.4
379.26379	0.9
389.24756	2.9
390.25262	0.4
407.25824	24.5
408.26028	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38158	0.9
53.03948	1.0
55.01858	0.7
55.05511	11.9
55.28723	0.8
57.03426	1.5
57.07072	2.7
65.03928	2.5
67.05505	23.0
69.03419	2.6
69.07069	11.0
71.04980	0.7
71.08624	1.3
71.30054	0.7
71.30484	1.6
74.54655	0.6
79.05497	9.1
81.07056	24.6
82.07352	0.9
83.04982	14.3
83.08625	3.8
90.53081	0.8
91.05471	11.8
93.07047	22.6
95.04974	10.9
95.08607	42.1
96.08940	1.2
97.06538	5.0
97.10144	2.8
99.04429	1.0
103.05434	0.9
105.07033	20.0
107.04986	0.9
107.08590	24.9
109.06517	6.7
109.10156	20.3
109.10904	0.8
111.04450	3.3
111.08087	10.0
113.05988	1.8
115.05421	1.6
115.22479	0.7
117.07015	5.3
119.08584	18.2
121.06504	3.1
121.10143	13.2
123.08066	11.2
123.11713	6.8
125.09621	6.6
128.06209	3.2
129.07005	7.6
130.07718	1.1
131.08571	14.7
133.10126	11.1
135.08035	4.1
135.11690	7.3
137.09598	2.1
137.13232	2.3
139.07553	2.7
139.11246	0.8
141.06978	5.7
141.09068	2.0
142.07790	7.0
143.08568	19.5
144.09294	1.7
145.10124	18.3
147.08023	2.2
147.11679	9.9
149.09593	3.0
149.13239	4.9
151.11183	1.4
153.07033	2.9
154.07774	3.3
155.08545	22.5
156.09348	5.9
157.10121	30.2
158.10762	2.1
159.08076	11.8
159.11684	20.9
160.08664	0.9
161.09602	4.6
161.12347	0.6
161.13295	6.9
163.11186	5.5
163.14835	3.0
165.07019	2.6
165.12755	2.6
166.07707	1.5
167.08566	6.1
168.09344	7.0
169.10129	46.9
170.10840	6.1
171.08009	2.5
171.11690	20.1
172.12099	0.8
173.09612	5.8
173.13255	9.8
175.11168	2.4
175.14891	3.6
177.12744	2.5
178.07788	2.6
179.07191	0.7
179.08502	4.2
179.14359	0.9
180.09212	1.4
181.10121	11.0
182.10873	5.4
183.08142	2.3
183.11696	38.6
183.13339	1.9
184.12354	4.7
185.09634	12.9
185.13245	15.5
186.13629	0.8
187.11218	3.6
187.14845	6.2
189.12682	2.4
189.16426	1.0
191.08635	1.1
191.14290	3.2
192.09314	2.1
193.10139	7.9
194.10873	2.9
195.11690	14.0
196.08783	1.0
196.12439	5.8
197.09618	18.9
197.13260	21.4
198.10287	2.4
198.13951	2.2
199.11172	25.3
199.14818	8.3
200.11539	1.8
201.12750	1.8
201.16364	3.0
203.14212	0.9
205.10101	2.7
205.11943	0.8
206.10916	1.2
207.11700	9.6
208.12439	3.4
209.09666	6.2
209.13251	15.7
210.10333	1.0
210.13945	2.9
211.11188	100.0
211.14713	28.8
212.11607	7.0
212.15434	2.6
213.12758	15.3
213.16335	11.1
214.13187	0.8
214.17067	1.2
215.14359	1.0
215.17964	1.6
218.11040	1.2
219.11656	3.2
220.12473	1.2
221.13258	9.4
222.13794	1.7
223.09103	1.4
223.11234	18.3
223.14789	22.5
224.11743	1.8
224.15335	3.5
225.12759	35.6
225.16243	12.9
226.13283	2.2
227.10760	1.1
227.14342	7.1
227.17889	5.1
228.14725	0.9
228.18402	0.8
229.12280	1.4
229.15887	0.9
229.19543	1.3
230.10905	0.9
232.12379	1.3
233.13264	3.4
234.13901	1.3
235.11192	1.9
235.14793	4.2
235.16808	0.9
236.15446	1.0
237.12753	17.1
237.16351	7.6
238.13197	2.0
238.16983	1.6
239.14319	9.3
239.17915	8.2
240.18633	1.1
241.15912	2.9
241.19510	1.7
245.13052	1.0
246.14149	1.0
247.14842	4.3
249.12740	2.9
249.16422	5.6
250.13431	1.3
250.17081	1.1
251.14320	15.9
251.17953	8.0
252.14729	1.4
252.18565	1.4
253.12199	0.8
253.15814	7.8
253.19550	4.9
259.14911	1.0
261.12744	1.8
263.14307	10.6
264.14767	1.7
265.15875	46.2
265.19342	3.9
266.16312	4.3
266.20135	1.4
267.17462	14.1
267.21075	22.1
268.17935	1.6
268.21527	3.6
269.22632	3.2
273.16434	1.1
275.14496	1.1
275.17941	2.0
277.15884	2.9
277.19479	0.9
279.17474	12.9
279.20850	2.0
281.15283	0.8
281.19012	0.8
283.16986	1.5
285.62079	0.8
287.18066	1.1
289.15894	1.4
291.17471	6.5
291.20615	1.2
292.17725	0.9
293.15762	1.0
293.19022	29.3
293.22513	3.7
294.19351	3.0
295.24133	1.8
301.16046	1.2
303.17490	0.9
305.18988	2.5
305.22473	0.9
307.20352	1.1
307.23898	1.1
308.21576	1.4
308.24948	5.4
309.18433	1.6
309.25540	1.1
311.20102	0.8
315.17267	1.3
319.20517	1.5
319.24017	1.5
323.20041	1.6
329.19037	1.6
331.20670	2.1
333.22000	1.6
343.20575	0.9
347.23694	1.7
351.23193	2.2
361.25226	13.3
361.29178	0.8
362.25363	1.2
364.23987	1.0
365.24692	1.7
371.23666	11.9
372.24017	1.8
379.26425	1.8
389.24722	57.2
390.25061	6.4
394.73837	0.8
407.25531	34.8
407.29474	77.3
408.25916	4.6
408.30774	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.01863	0.5
55.05508	10.6
57.03413	0.5
57.07069	2.6
65.03935	1.0
67.05502	9.6
69.03423	0.8
69.07063	8.7
70.45772	0.8
70.46138	0.8
71.05003	0.6
71.08628	1.6
79.05483	5.2
81.07050	12.5
81.42121	0.4
82.07384	0.4
83.04976	31.9
83.08613	3.0
84.05317	0.5
89.06015	0.9
91.05478	8.3
93.07038	13.3
94.07362	0.4
95.04964	1.6
95.08602	18.9
96.08916	0.8
97.06544	1.3
97.10163	0.6
99.04465	1.0
103.05479	0.6
105.07025	15.6
106.07333	0.7
107.08600	11.1
107.09287	0.8
109.06497	1.2
109.10151	8.1
111.04434	14.4
111.08076	4.7
111.11739	1.1
112.04719	0.4
113.06005	1.1
115.05418	0.7
117.07012	3.8
119.08574	15.8
121.02886	0.7
121.06519	1.7
121.10145	8.5
121.11012	0.7
123.08025	2.2
123.11698	5.5
125.06021	1.6
128.06244	1.5
129.07022	3.6
130.07774	1.3
131.08565	8.5
133.08592	0.6
133.10126	8.6
135.08098	1.1
135.11684	3.2
137.13232	0.9
139.07515	2.8
141.06970	2.6
141.09105	0.7
142.07777	3.6
143.08557	8.9
144.09323	1.6
145.06532	0.7
145.10120	13.1
145.11258	0.7
146.10596	0.8
147.08046	1.7
147.11682	7.7
148.12096	0.4
149.02341	9.3
149.03459	0.7
149.09633	0.5
149.13257	1.5
151.07605	0.5
153.07004	0.9
154.07791	1.1
155.08543	8.4
156.09351	4.0
157.10118	13.7
158.07243	0.5
158.10814	0.9
159.06941	0.4
159.08104	1.4
159.11682	13.4
159.12970	0.7
160.08827	0.5
160.12088	0.5
161.09653	1.9
161.13252	4.0
162.13515	0.5
163.11179	0.7
163.14825	0.9
165.07011	0.8
166.07819	0.5
167.03477	0.7
167.08522	2.4
167.10632	0.5
168.09366	2.4
169.08676	1.0
169.10114	14.1
170.10904	3.8
171.07991	0.5
171.11682	12.2
172.08881	1.1
172.12347	1.4
173.09628	1.8
173.13251	6.2
175.11191	1.9
175.14821	3.4
177.16490	0.5
179.08589	1.7
180.09396	1.1
181.10094	6.2
182.10904	3.6
183.11685	14.9
184.12437	2.6
185.09680	0.7
185.13240	10.2
185.14771	0.8
186.10390	0.8
186.13937	1.0
187.11176	1.9
187.14815	3.8
189.12744	1.4
189.16315	1.9
191.10675	0.9
193.10118	2.0
194.10918	1.7
195.11674	9.0
196.12430	3.7
197.09583	0.5
197.13248	14.4
198.13934	2.9
199.11189	1.7
199.14799	5.7
201.12743	2.6
201.16345	3.3
202.16763	0.4
203.17996	1.0
205.12270	1.5
207.11760	1.8
207.13696	0.7
208.12466	1.8
209.09679	0.5
209.13245	10.8
210.13905	2.4
211.11218	1.4
211.14801	11.6
212.15480	2.0
213.12859	1.9
213.16356	6.8
214.16835	0.4
215.14340	1.5
215.17928	3.6
219.13771	0.4
221.13309	2.6
222.14096	1.3
223.11348	0.8
223.14819	9.0
224.15529	2.9
225.12817	1.3
225.16342	7.8
226.17072	2.0
227.14268	1.2
227.17963	2.6
228.18488	0.5
229.19682	0.6
231.13768	0.7
233.13345	0.9
233.15369	1.0
234.14072	0.6
235.14847	2.1
236.15453	1.1
237.16353	7.0
238.17085	2.2
239.14386	0.9
239.17928	10.9
240.18452	1.7
241.15874	0.8
241.19478	5.5
241.21565	0.6
242.19981	0.4
245.15436	0.7
247.14832	0.6
249.16429	1.7
250.17319	1.3
251.14299	0.7
251.15314	0.6
251.17947	5.7
252.18645	2.5
253.15833	0.7
253.19504	7.8
254.20146	1.3
255.21059	0.6
261.16422	0.6
263.14392	0.4
263.17917	0.8
264.18771	0.4
265.16290	1.0
265.19485	9.4
266.20071	2.8
267.17889	0.5
267.21060	8.7
268.21646	2.1
269.22708	1.8
275.17996	0.5
277.16071	0.6
277.19476	0.9
279.17639	0.7
279.21118	3.5
280.21884	1.7
281.15729	0.4
281.22632	3.7
283.16919	0.5
285.18362	0.7
291.17502	0.7
291.20938	0.7
293.19095	1.1
293.22568	10.0
294.23022	1.5
295.17102	0.9
295.24188	2.9
296.24991	2.5
297.18484	0.9
297.25723	3.2
305.22638	0.7
307.20639	0.7
307.24023	2.9
308.24927	20.1
309.18542	0.5
309.25494	4.1
311.20065	0.7
319.24057	0.5
323.20242	1.1
325.21771	0.6
333.22211	0.5
333.25842	0.9
337.21686	0.9
351.23148	8.5
351.27365	0.5
352.23410	0.9
361.25128	0.9
361.29047	0.9
364.24097	1.3
365.24591	2.1
379.26349	0.6
389.24829	1.8
389.29086	0.6
407.29517	100.0
408.25031	0.7
408.29886	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
55.01870	0.5
55.05511	9.3
57.07081	2.3
65.03936	0.7
67.05503	7.2
69.03431	0.7
69.06722	0.5
69.07069	6.2
70.95889	0.3
71.08627	0.6
75.04502	0.3
79.05495	4.0
81.03413	0.3
81.07056	7.9
83.04980	29.8
83.08621	2.6
84.05304	0.5
88.15089	0.3
89.06027	0.3
91.05475	6.4
92.05780	0.4
93.07043	11.6
95.04969	2.2
95.08602	14.9
96.08913	0.4
97.06542	1.2
97.10159	0.9
99.04451	0.6
99.83699	0.3
103.05470	0.6
105.04476	0.4
105.07030	11.5
107.08591	9.0
108.08900	0.4
109.06508	1.6
109.10152	6.8
111.04440	10.7
111.05186	0.5
111.08079	4.3
111.11723	0.5
112.04800	0.3
113.06043	1.1
115.05448	0.4
116.06236	0.4
117.07033	3.0
119.04964	0.4
119.08578	13.3
120.08912	0.5
121.06531	1.3
121.10135	6.5
123.08082	1.9
123.11704	5.0
125.06007	1.3
128.06209	1.4
129.06998	3.0
130.07791	1.0
131.08563	8.2
132.09196	0.3
133.06462	0.6
133.08595	0.5
133.10120	9.0
134.10498	0.3
135.08066	0.8
135.11697	2.6
137.09647	0.4
137.13246	0.7
139.07512	3.3
141.06967	2.4
141.09148	0.7
142.07788	2.8
143.08562	7.6
144.09393	1.4
145.06517	0.6
145.10120	11.6
146.07416	0.3
146.10808	0.5
147.08073	1.0
147.11687	5.2
149.02335	1.8
149.09618	0.7
149.13271	0.8
153.07045	0.9
154.07816	0.8
155.08553	7.4
156.09340	3.2
157.10120	12.5
158.10732	0.8
159.08047	1.2
159.11685	11.7
160.12100	0.5
161.09608	2.2
161.13246	3.7
163.11168	0.7
163.14830	0.8
164.54498	0.3
165.07013	0.4
166.07751	0.9
167.08527	2.3
168.09299	2.1
169.10118	11.6
170.10878	3.3
171.08066	0.4
171.11685	10.9
172.08861	1.1
172.12276	1.0
173.09637	1.8
173.13243	4.9
174.13634	0.4
175.11256	1.8
175.14839	3.1
177.09148	0.3
178.07800	0.4
179.08484	1.8
179.10739	0.5
180.09428	0.7
181.10123	4.8
182.10870	2.2
183.11682	13.5
184.12390	2.1
185.09663	0.8
185.13248	9.3
186.10315	0.4
186.13930	0.9
187.11194	1.5
187.14792	3.9
189.12735	1.3
189.16385	2.0
191.10675	0.6
192.09467	0.5
193.10139	1.7
193.11887	0.3
194.10927	1.6
195.11696	8.0
196.12454	3.5
197.09590	0.6
197.13248	11.8
198.13953	1.8
199.11263	1.1
199.14824	4.4
200.15422	0.3
201.12730	2.9
201.16365	2.6
202.13281	0.4
203.18022	0.8
205.10434	0.6
205.12279	2.0
206.11000	0.5
207.11710	2.1
207.13829	1.0
208.12395	2.1
209.10016	0.3
209.13258	9.3
210.10529	0.3
210.14018	2.2
211.11520	1.6
211.14793	11.4
212.11734	0.5
212.15332	1.7
213.12828	2.7
213.16368	7.1
214.16856	0.5
214.86662	0.3
215.14380	1.4
215.17935	3.9
219.11795	0.5
219.13832	0.9
220.12485	0.4
221.13283	2.2
222.14035	0.7
223.11394	0.6
223.14813	8.4
224.15549	3.0
225.12949	1.5
225.16373	6.6
226.17055	1.6
227.14355	0.9
227.17850	2.1
229.19530	0.7
231.13867	0.7
233.13281	0.5
233.15471	1.1
234.14105	0.4
235.14833	1.7
236.15657	1.2
237.12804	0.5
237.16350	6.8
238.17094	1.8
239.14262	0.8
239.17917	9.0
240.18567	0.9
241.15862	0.5
241.19501	4.7
242.19812	0.5
242.82518	0.3
245.15381	0.6
247.14951	0.8
249.16359	1.7
250.17169	1.2
251.14200	0.9
251.17924	4.9
251.20288	0.4
252.18687	2.8
253.19502	7.2
254.20183	1.0
255.21101	0.6
257.15439	0.5
263.14273	0.4
263.17987	0.8
264.18701	0.5
265.15994	1.2
265.19479	9.1
266.20114	2.7
267.17560	1.6
267.21127	7.5
268.21722	2.1
269.20245	0.3
269.22592	1.9
277.15991	0.6
277.19513	0.8
279.17868	0.6
279.21036	3.4
280.21826	1.5
281.15378	0.3
281.22552	3.7
282.23364	0.3
283.16956	0.5
285.18591	0.9
291.17468	0.6
291.20877	0.4
293.19226	0.9
293.22580	9.6
294.23196	1.1
295.16983	1.2
295.20862	0.6
295.24084	2.7
296.24918	1.8
297.18597	0.9
297.25787	2.2
305.19257	0.6
305.22699	0.7
307.20563	0.5
307.24091	2.9
308.24945	21.4
309.18866	0.3
309.25409	3.8
309.28354	0.3
310.26190	0.3
311.19803	0.6
319.20578	0.4
319.24170	0.5
323.20132	1.0
325.21738	0.4
333.22147	0.6
333.25772	0.6
337.21698	0.9
347.23801	0.4
349.21542	0.6
351.23172	8.0
352.23517	0.8
361.25067	0.4
361.29172	0.6
364.24106	1.2
365.24579	1.6
371.23694	0.4
379.26367	0.4
389.24216	1.8
389.29117	0.6
390.25092	0.4
407.29541	100.0
408.29877	13.6
408.35291	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.1
55.01873	7.9
55.05512	44.9
57.07072	28.2
65.03921	2.9
67.05502	37.8
69.03457	2.7
69.07066	76.8
69.62389	3.7
69.62797	7.5
70.22577	2.0
71.08617	10.5
79.05482	16.0
79.58702	1.9
81.03431	3.5
81.07055	97.1
81.16055	2.0
82.07394	3.3
83.04982	23.0
83.08614	36.9
85.10169	5.9
89.06036	4.5
91.05463	18.3
93.07038	41.3
95.04967	7.4
95.08602	100.0
96.08932	3.3
97.06522	6.0
97.10157	21.9
98.22646	2.5
99.04478	2.9
102.70639	2.6
105.07027	30.2
107.08595	41.7
109.02862	3.3
109.06516	7.9
109.10151	68.8
111.04458	4.3
111.08084	5.7
111.11723	12.4
116.89474	2.1
117.07005	5.4
119.08567	35.2
121.06516	6.5
121.10140	30.4
122.10485	2.6
123.04586	2.1
123.08127	10.5
123.11702	38.1
125.02334	21.8
125.05962	3.4
125.13213	4.2
127.03912	20.9
128.06291	2.1
129.06989	5.2
131.08551	15.9
133.06438	2.4
133.08580	2.6
133.10133	23.8
135.08035	6.1
135.11676	22.7
137.09560	3.8
137.13235	20.9
139.03801	3.3
139.07513	5.6
141.05478	2.5
141.07025	2.7
143.08572	12.7
145.06459	4.6
145.10100	22.7
147.08047	6.1
147.11684	19.4
149.09593	4.6
149.13261	14.5
151.11263	2.8
151.14830	5.1
155.08586	6.6
156.09355	3.2
157.10126	14.8
159.08072	8.8
159.11687	24.2
161.09583	6.0
161.13249	19.2
163.07550	5.7
163.11263	4.4
163.14825	8.5
167.07048	6.4
168.09229	2.2
169.08585	7.0
169.10162	8.8
171.11659	13.6
171.14005	2.2
173.09607	5.8
173.13254	15.4
175.11183	4.5
175.14832	15.4
177.09132	4.8
177.12680	2.9
177.16399	6.0
179.10703	4.0
181.08603	13.1
181.10068	3.9
183.10208	4.6
183.11713	9.6
185.09660	4.1
185.13245	9.1
187.11176	2.6
187.14828	10.9
189.09138	2.6
189.12764	2.9
189.16347	6.2
191.14377	2.7
191.17992	4.5
192.09448	2.6
193.08568	5.9
193.10130	4.0
195.10182	5.9
195.11763	5.6
197.09648	2.7
197.13234	8.2
199.11147	7.3
199.14833	6.3
201.12665	2.7
201.16364	7.9
203.14233	2.5
203.17957	5.4
205.15918	3.2
207.10146	4.8
207.11749	9.5
209.13283	4.1
211.11180	15.3
211.14961	2.4
213.12805	11.0
213.16385	7.8
215.14345	8.9
215.17941	6.6
217.15956	2.9
217.19495	3.8
221.13292	3.4
223.11221	4.1
223.14934	3.8
225.12727	9.0
225.16405	4.8
227.14354	5.1
227.18040	5.1
229.19417	4.5
231.21103	2.9
231.85687	2.7
233.13330	7.1
237.12697	6.1
237.14828	4.6
239.14340	4.6
241.15825	3.0
241.19525	4.9
243.21146	2.9
247.14796	4.5
249.16518	4.8
250.35365	2.5
251.14241	5.3
251.16486	6.0
255.20970	5.9
257.22498	3.2
263.16479	7.2
263.27234	3.0
265.15826	5.6
267.17511	6.5
267.21161	3.8
269.22696	4.2
271.24237	2.8
275.14578	2.5
277.18076	2.7
279.17294	3.3
281.19128	3.8
283.24149	8.6
293.15717	2.3
293.18582	10.2
297.25906	3.4
308.17606	4.5
308.21112	3.5
325.29019	4.8
333.24484	4.2
343.29941	5.9
347.23956	3.0
351.30167	3.1
361.25061	4.2
371.29559	11.4
389.24698	11.2
389.30441	21.8
390.24820	2.7
407.22012	1.6
407.25613	29.7
407.36768	43.8
408.26025	4.3
408.37152	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.8
55.01873	12.8
55.02287	1.3
55.05511	11.5
57.03443	5.6
57.07071	13.7
59.50452	1.1
63.47550	1.2
67.05504	16.9
69.07066	18.1
71.08629	11.2
79.05485	6.7
81.03415	13.1
81.07055	61.1
82.07375	1.3
83.04978	9.8
83.08618	13.6
85.10188	5.1
89.06026	4.5
91.05489	2.9
91.68295	1.1
93.07043	6.1
95.08604	39.3
96.08949	1.3
97.10171	12.5
99.04442	1.9
99.08067	1.5
102.72310	1.1
105.07029	3.1
107.08595	4.2
109.02124	1.7
109.02872	31.0
109.03582	2.3
109.06568	1.5
109.10155	30.7
111.11729	4.3
115.03938	13.5
118.85689	1.2
119.08578	3.4
121.10160	4.4
123.04454	2.2
123.08072	1.2
123.11706	21.5
125.05989	1.4
125.13237	2.8
127.03911	100.0
128.04311	1.9
133.10141	3.5
135.11703	1.5
137.13251	12.5
141.05466	3.7
142.71063	1.3
145.05014	1.1
145.10144	3.3
147.08044	1.2
147.11703	1.6
149.09599	1.5
149.13219	2.2
151.11235	1.7
151.14827	5.1
155.07062	1.7
157.10150	1.3
161.13283	1.2
162.81403	1.4
165.16385	1.5
169.08614	5.7
173.13232	1.4
175.14882	1.2
181.08533	1.4
183.10214	11.1
189.16515	1.5
190.79335	1.4
193.62050	1.1
195.10201	4.0
195.12242	2.4
197.11725	5.5
204.35851	1.1
209.11702	2.9
211.13266	4.1
223.13168	1.8
225.14851	2.8
237.14914	2.1
239.16457	5.8
251.16393	1.6
253.17961	8.8
263.16431	2.9
265.17969	3.7
267.19565	4.7
279.19571	4.4
281.21295	2.6
293.21039	2.5
295.22714	2.1
307.22501	2.2
309.24203	4.0
310.24817	1.4
319.22748	2.1
333.24289	2.6
389.30490	16.5
390.30859	1.4
407.21750	3.1
407.25955	3.1
407.31543	34.5
407.36996	2.6
408.31989	3.3
430.08994	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.5
55.01869	10.6
55.05513	18.1
57.03424	5.7
57.07073	44.4
67.05504	18.0
69.03441	2.1
69.06728	3.0
69.07069	40.6
69.24409	6.0
69.24834	8.6
71.04971	7.0
71.08632	15.8
79.05483	10.3
81.03408	14.8
81.07059	45.2
83.04990	24.6
83.08195	2.6
83.08621	24.1
85.06547	19.3
85.10160	7.9
89.06004	2.7
91.05466	5.6
93.07030	9.1
95.04945	3.4
95.08604	46.9
96.08897	2.5
97.06528	4.7
97.10172	13.7
99.08072	2.4
105.07008	8.5
107.08572	7.9
109.02875	30.9
109.06464	3.3
109.10152	29.9
111.08052	2.9
111.11684	8.3
112.99992	3.5
113.05953	3.0
115.03908	9.4
117.07033	3.3
119.08569	11.8
121.10136	7.2
123.04386	2.7
123.08036	4.4
123.11720	21.0
125.02325	3.7
125.05994	14.8
125.13244	3.6
127.03921	100.0
129.06970	2.4
129.58676	2.1
131.08508	4.8
133.10095	4.6
134.10547	1.8
135.11708	3.8
137.09532	2.3
137.13263	15.3
139.07491	5.3
141.05470	5.5
143.07018	4.0
145.10088	5.4
147.11693	3.0
149.09564	2.1
151.11234	2.1
151.14827	3.7
153.09117	4.7
155.08409	2.2
156.09300	2.5
157.10063	3.9
159.11655	5.2
163.11172	2.3
163.14818	2.2
169.02612	3.1
169.08545	4.5
169.10030	3.9
171.11658	2.4
175.11115	2.4
177.09102	2.4
181.04854	2.0
183.10085	6.3
183.11545	4.6
185.09584	2.0
197.11673	4.3
201.16437	2.5
204.73582	2.2
211.13239	2.7
235.13342	2.4
239.16353	4.4
253.17963	3.9
255.15794	2.4
263.27484	2.9
266.02780	2.2
269.17596	2.2
281.20883	3.4
281.28397	24.1
309.24060	2.8
323.25769	14.7
333.24106	4.0
389.29767	14.4
389.34149	10.0
390.30792	3.4
407.25656	8.7
407.31351	67.3
408.31564	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.05511	18.5
57.07076	8.4
67.05505	26.6
69.07068	43.5
69.13921	2.6
69.14336	8.5
69.23859	1.3
71.08636	2.5
79.05495	15.7
81.07057	62.1
82.07394	2.7
83.04984	3.6
83.08620	18.9
85.10172	1.7
89.06009	2.1
91.05486	12.6
93.07039	29.7
94.07365	1.9
95.04977	1.4
95.08609	60.9
97.10181	5.6
105.07026	26.9
107.08595	38.3
109.10153	50.4
111.11740	4.4
112.00548	1.3
112.30457	1.5
114.78786	1.3
117.07023	4.9
119.08584	36.0
120.08905	1.3
121.10141	31.1
123.11709	22.8
128.06204	1.4
129.06996	2.9
131.08566	14.4
133.10136	21.7
135.11685	21.3
137.13258	12.4
142.07875	1.4
143.08571	10.8
144.09372	1.6
145.10123	20.6
147.11679	19.7
148.12061	1.3
149.13263	15.6
151.14828	3.1
155.08606	1.3
156.09322	3.0
157.10138	12.8
158.10771	1.6
159.11687	28.5
161.13260	14.8
163.14795	9.9
169.10149	4.9
170.10960	1.6
171.11723	13.5
173.13268	18.9
174.13757	1.6
175.14821	11.4
177.16383	7.8
183.11668	3.0
185.13255	11.9
187.14809	14.0
188.15215	1.5
189.16399	10.8
191.18028	5.1
195.12083	1.4
197.13324	4.8
198.52216	1.4
199.14813	16.3
199.16554	2.0
200.15234	1.1
201.16383	13.8
203.17972	8.6
205.19441	1.7
211.14874	5.3
211.27217	1.2
213.16388	15.5
214.16867	1.4
215.17947	14.5
217.19557	5.5
220.97548	1.3
225.16447	4.1
227.17912	7.8
229.19498	6.0
231.21120	3.5
239.18001	4.4
241.19559	5.7
243.21004	6.0
253.19560	4.0
255.21095	9.6
257.22586	6.5
259.24277	2.1
267.21109	3.4
268.13940	1.3
269.22729	9.3
271.24316	4.2
281.22644	2.9
283.24152	7.1
285.25803	1.9
295.24268	5.0
297.25854	7.0
299.27237	1.8
309.25629	2.5
311.27362	4.2
323.27332	3.2
325.28894	6.4
336.65866	1.5
337.28961	4.7
351.30469	7.4
352.30823	1.3
365.32028	3.3
407.36737	100.0
408.37097	13.5
408.73062	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3673
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03945	1.7
55.05508	17.1
57.07080	9.2
65.03925	2.0
67.05507	20.3
67.09753	1.1
69.07070	43.8
69.32372	9.1
71.08632	4.2
76.13537	1.5
79.05497	11.5
81.06581	3.0
81.07059	53.9
82.17924	1.4
83.04987	2.3
83.08611	16.4
89.06018	1.5
91.05486	12.4
93.07039	26.7
95.04996	1.4
95.08607	59.5
95.96808	1.3
97.10170	5.5
105.07027	27.6
107.08591	41.5
109.06506	1.3
109.10155	44.3
110.10461	1.5
111.11709	4.2
117.07014	3.0
118.98641	1.2
119.08582	33.9
120.08908	1.5
121.10146	28.2
123.11708	25.4
128.06212	1.8
128.81931	1.2
129.07022	2.2
131.08592	12.7
133.10123	23.4
135.11699	22.6
136.12044	1.5
137.13266	9.5
141.05493	2.6
142.07756	3.0
143.08545	9.1
145.10121	20.8
147.11691	20.1
149.13257	13.2
151.14807	3.0
155.08595	1.4
157.10135	11.4
158.10872	1.7
159.11685	27.9
160.65289	1.2
161.13251	20.4
163.14832	8.2
169.10152	5.1
171.11685	12.5
173.13254	16.4
175.14810	11.9
177.16383	5.9
183.11729	5.3
184.12546	1.2
185.13275	10.8
187.14801	12.4
188.15273	1.7
189.16376	8.9
190.84784	1.3
191.17981	5.1
197.13266	3.6
199.11168	1.3
199.14807	12.4
201.16393	15.7
203.18002	8.1
211.03917	1.2
211.14847	3.6
213.16370	12.4
215.17952	14.8
217.19505	6.1
225.16350	3.2
227.17958	7.2
229.19478	8.4
231.21101	2.4
239.17960	4.4
241.19467	5.5
243.21056	6.2
245.15421	2.0
245.22549	2.4
253.19525	3.1
255.20963	7.0
257.22647	9.7
267.21133	3.1
269.22644	8.7
271.24292	2.9
281.22681	4.4
283.24130	7.9
295.24219	5.4
297.25815	5.7
311.27359	3.8
323.27448	4.3
325.28860	5.1
337.28909	4.3
338.29987	1.5
351.30429	8.3
365.32004	1.9
381.08429	1.3
397.01651	1.4
407.29807	3.9
407.36731	100.0
408.31693	1.7
408.37054	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.2
55.05517	14.6
57.07067	5.9
67.05506	19.4
69.07074	47.9
71.08647	4.0
74.42103	1.4
79.05496	11.9
81.07060	81.7
83.04987	29.8
83.08606	12.8
89.06035	1.9
91.05499	13.8
93.07053	27.9
93.61248	1.5
95.04977	1.5
95.08609	65.5
97.10176	8.7
98.53913	1.5
105.07040	24.4
107.08597	42.0
107.09289	3.0
109.10162	48.7
110.10432	1.8
111.11731	4.4
117.07052	3.8
119.08588	31.6
121.10154	28.6
123.11711	18.8
129.06973	2.4
131.08565	12.9
133.10138	23.8
135.11710	19.5
137.13245	11.4
142.07788	2.8
143.08575	7.7
145.10109	17.7
146.10655	2.5
147.11705	22.7
149.13237	12.3
151.14961	2.0
155.08572	3.3
157.10205	10.3
158.10884	1.8
159.11691	23.5
161.09653	2.4
161.13248	17.7
163.14871	8.1
169.10172	3.8
171.11688	12.6
173.13240	15.2
175.14806	10.4
177.16443	5.1
183.11688	2.5
185.13245	11.9
187.14812	11.8
189.16362	10.6
191.18027	3.7
197.13246	3.9
199.14789	10.2
201.16360	11.9
203.17981	7.2
211.14853	3.7
213.12885	1.8
213.16360	8.1
215.18001	12.9
217.19510	4.1
223.14847	2.5
225.16341	4.7
227.17799	7.7
228.18573	2.2
229.19557	12.7
231.21133	3.4
239.17891	2.6
239.38091	1.7
241.19606	5.3
243.21056	3.3
253.19504	2.9
255.21114	5.1
257.22729	5.5
267.17398	3.6
269.22662	5.0
271.24222	2.3
281.22690	3.1
283.24213	8.4
284.24643	2.2
295.24368	2.6
297.25833	4.4
299.27472	1.7
300.08676	1.7
303.19794	1.8
311.27301	2.7
323.27518	3.1
325.28970	6.0
333.22217	1.9
337.28897	3.1
351.30524	5.4
365.32013	4.0
380.04288	1.8
389.24689	3.7
407.25922	18.1
407.36734	100.0
408.26096	2.7
408.37253	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
55.05513	29.5
55.49092	0.8
56.05039	2.1
58.99295	1.0
58.99586	15.5
61.01158	1.2
65.35542	0.7
69.16533	1.8
69.16953	3.1
70.06570	1.8
73.01128	1.9
76.02227	8.6
76.03999	2.4
78.01783	1.0
79.05477	1.8
81.03387	1.1
81.07069	3.8
83.06107	2.4
83.08619	44.1
84.04506	22.9
84.08949	0.9
85.01109	1.5
85.02920	0.8
86.09713	0.8
86.99054	12.5
88.02241	3.9
91.05470	1.3
93.07030	1.0
95.04974	1.4
95.08601	1.2
97.06485	1.0
99.05553	1.4
99.08121	1.1
101.09641	2.1
103.02193	0.8
105.00135	0.8
105.07006	1.3
107.08582	2.0
113.04184	0.9
115.05763	1.8
116.01678	52.5
117.02026	1.0
118.01256	1.1
119.08567	2.8
123.04419	1.8
124.07594	6.7
129.06613	3.3
129.07414	1.6
130.04974	3.9
135.04442	0.9
135.64145	0.8
137.05977	2.5
137.07693	0.8
141.07326	1.4
142.03241	4.6
144.01144	28.3
145.01549	0.7
145.06081	2.2
146.00667	1.0
147.08040	5.2
151.03853	0.8
159.08391	37.2
160.08672	0.7
162.02202	100.0
163.02495	2.1
163.03857	1.4
164.01808	0.7
165.09138	8.0
167.07022	0.9
168.07445	0.8
170.02736	1.6
176.08972	0.8
176.11081	3.8
179.04839	1.2
185.04271	2.1
187.07756	1.0
193.08600	4.9
199.08801	0.8
209.10718	0.7
211.09770	4.6
211.13123	1.1
225.10210	0.8
239.07971	1.0
239.11938	0.7
243.11284	1.2
244.09938	1.5
245.04376	0.9
246.05321	4.6
246.07584	1.2
246.11237	1.5
247.05745	10.4
253.09753	1.0
257.04483	1.8
259.05914	0.8
259.10944	1.3
261.10712	4.7
262.11090	42.3
263.11331	2.1
267.15894	1.9
271.10812	3.3
279.13760	16.1
294.09360	0.9
298.08759	1.4
313.11490	0.8
323.10208	1.3
333.14856	7.5
340.10077	1.1
341.11249	2.6
345.14679	1.2
373.13913	3.0
390.13611	1.7
391.15045	4.2
408.10400	3.4
408.18225	1.3
409.11151	42.8
409.16165	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26438	1.7
55.93535	2.0
57.03423	2.4
69.03445	3.7
69.12227	6.5
69.12651	6.7
70.10596	1.8
85.02909	8.0
95.05015	2.5
97.02946	3.0
105.07040	9.5
106.45687	1.6
109.06558	1.9
111.04441	2.2
114.05542	7.9
119.04937	2.9
122.03663	4.9
122.09673	5.1
122.53350	1.9
123.04461	8.0
125.05967	2.8
137.05984	100.0
138.06407	2.6
140.04732	3.2
142.04987	2.4
145.05023	1.8
147.04443	5.9
149.04572	3.6
149.05992	1.9
151.03886	2.0
151.07564	2.3
155.03413	2.1
156.61176	1.6
161.05862	1.7
163.03883	2.4
163.07591	2.3
166.07256	44.6
166.74913	1.7
167.07094	4.1
169.05020	4.9
175.03963	1.8
177.05463	2.0
179.06990	3.7
187.04269	1.9
189.05516	2.8
193.04962	2.6
193.08748	2.0
193.12265	2.0
195.10191	2.5
203.03328	2.7
211.09654	36.2
218.02759	12.3
229.10674	5.0
235.97853	1.8
244.08180	3.6
245.04593	4.2
246.02217	11.2
247.05980	2.2
257.04474	11.5
287.05502	7.7
345.39594	1.9
347.14630	6.1
353.91122	1.7
408.08160	2.5
409.10297	19.2
409.14954	9.3
428.74002	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
60.08159	2.6
61.02948	1.1
69.03428	2.8
69.07043	1.1
69.90359	1.0
81.03373	1.1
84.69337	1.3
85.02914	6.4
85.99494	1.1
91.05494	2.5
93.07041	1.9
95.04935	1.5
97.02897	1.2
103.05455	3.3
105.06990	2.1
107.04965	2.0
109.06472	1.8
109.63977	1.1
111.04443	1.1
119.08581	2.2
121.06511	3.7
123.04433	8.0
131.04936	8.8
133.10056	1.1
135.04355	2.2
137.02339	1.2
139.03972	1.5
143.02740	1.1
147.04384	1.8
149.05978	2.6
151.03967	1.6
153.01688	1.2
161.06084	1.1
163.03920	4.7
163.07523	3.8
164.08369	2.8
165.09082	1.9
167.07039	100.0
168.07394	3.7
177.05397	2.1
181.08653	2.4
185.04224	2.7
189.05548	1.6
193.04851	1.6
193.08635	5.8
200.08571	4.3
201.09306	2.9
203.03453	1.2
211.09688	19.2
212.09869	1.6
229.05005	2.1
229.10677	10.4
235.17072	1.3
241.40233	1.2
245.04454	4.2
246.04858	3.2
246.07472	2.1
246.11340	2.2
246.13882	1.1
247.05949	8.8
247.13167	2.1
257.04440	9.1
258.04883	1.2
259.06039	3.8
271.10849	1.3
283.06274	1.3
287.05563	5.7
287.99396	1.1
325.09219	1.5
380.08496	1.4
408.07791	5.3
408.16095	1.6
409.11063	39.5
409.16132	3.3
409.19244	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01869	1.7
67.05499	1.4
68.99783	3.7
69.03434	1.6
69.97550	1.2
69.97898	1.7
77.03909	1.0
78.04697	1.1
79.05489	1.1
81.03412	1.6
81.07040	0.5
85.02914	4.0
85.03346	0.6
91.05489	2.8
93.07060	1.2
95.04968	2.2
97.02888	1.2
103.05475	1.5
105.03404	1.2
105.04498	0.6
105.07026	1.2
107.04952	2.3
109.06470	0.8
111.00837	1.2
111.04432	0.6
115.05433	1.1
117.07008	1.1
119.04939	2.8
120.08113	0.8
121.02911	1.1
121.06511	1.4
123.04435	46.6
124.05215	0.9
127.03881	1.2
128.06184	1.0
129.07011	0.7
131.04915	1.6
133.02910	0.6
133.06503	1.4
135.04414	2.1
137.02345	0.9
137.05988	1.0
139.03978	3.2
139.05490	0.7
141.06946	0.9
143.04924	0.8
145.06491	0.7
147.04401	8.0
149.02341	1.7
149.05984	3.1
151.03906	9.9
152.04611	0.7
153.01772	0.7
153.07011	1.0
155.04898	0.8
157.06416	0.6
159.04419	1.3
161.05971	3.7
163.03915	12.0
167.07042	100.0
168.07384	3.7
171.04465	1.2
173.05942	2.9
175.03894	10.0
177.05539	3.0
179.06883	0.6
181.06509	1.2
181.08588	3.1
185.05948	1.7
187.03922	4.3
189.05449	7.3
191.03459	1.8
193.04962	10.4
193.08545	4.7
197.06020	1.0
199.03951	0.7
201.05487	3.9
202.06145	0.8
203.03403	17.8
203.07051	1.6
211.07707	1.1
211.09668	14.0
212.10063	0.7
213.05452	4.7
215.03371	4.5
215.06851	0.9
217.04942	3.1
225.05383	1.0
227.07010	0.9
229.04979	10.1
229.10748	6.8
230.05719	2.4
231.06442	1.6
241.04907	3.1
243.06660	0.9
245.04460	23.3
246.04752	1.0
247.05923	4.2
247.13152	0.9
252.97910	1.4
253.05022	0.7
255.06638	1.8
257.04462	33.8
258.05231	6.2
259.06036	10.6
265.04956	0.7
269.04480	1.9
270.04962	0.6
271.05997	11.1
279.06522	1.1
283.05981	11.8
287.05490	49.0
297.07690	2.8
299.05548	7.4
319.11868	0.8
325.07059	1.2
359.12659	0.6
367.08429	0.9
379.08035	0.8
390.07141	0.7
391.08054	3.4
408.07852	3.4
409.09146	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22226	4.9
55.05507	18.6
58.88465	4.4
60.86302	4.9
65.09390	4.4
67.05505	19.3
69.07072	10.3
70.50483	10.4
70.50858	8.6
79.05489	7.0
81.07060	17.2
83.04997	23.8
83.08630	6.1
90.05665	4.3
91.05495	18.9
91.22127	5.0
93.07059	27.9
95.08609	33.5
96.13509	3.8
97.06480	6.4
105.07053	20.3
107.04977	9.5
107.08610	13.9
109.06556	9.2
109.10146	6.6
111.04456	5.4
111.08062	5.0
111.77227	4.4
117.07005	9.0
119.08588	21.1
121.06516	6.6
121.10110	7.9
121.35892	4.2
123.04440	15.0
123.08045	7.6
129.06999	9.5
131.08563	17.2
133.10159	14.8
135.08119	5.1
135.11719	11.9
138.03099	7.2
142.07787	5.5
143.08559	24.6
145.06549	5.6
145.10127	28.2
147.10576	4.9
147.11720	11.9
149.09593	4.8
151.07562	4.7
153.05461	93.9
155.08569	8.5
156.09117	6.0
157.10110	21.2
159.08069	6.4
159.11737	19.7
161.09676	10.8
161.13222	6.7
163.11159	11.0
166.06290	12.1
167.07085	13.6
169.10141	9.0
171.11702	18.1
173.09656	13.4
173.13205	13.2
181.08611	36.4
181.10033	8.5
183.11746	11.2
185.13235	14.0
187.14908	12.5
189.12892	5.6
191.10739	19.5
197.13284	7.0
199.11263	6.6
199.14844	7.4
200.15352	4.9
201.12848	5.1
201.16394	6.1
205.12329	7.7
209.13232	9.4
211.11078	4.6
211.14822	6.1
213.12753	13.8
215.14369	12.3
220.14389	6.0
223.13188	23.9
225.16335	5.7
226.17110	4.4
227.14230	5.2
227.17964	8.2
235.14894	4.4
239.17966	7.5
241.15889	5.3
241.19550	7.6
251.16457	17.4
255.17291	4.6
267.17590	6.1
268.17816	6.0
269.19086	21.1
295.20593	7.6
367.26212	10.7
381.27676	10.7
390.25089	7.0
391.21194	62.5
391.26187	18.2
392.21393	8.3
408.26199	50.6
409.27356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73819	7.9
52.09296	8.3
54.86057	6.9
56.18375	6.7
58.08199	6.8
66.67725	6.8
67.05511	14.1
69.14740	7.3
71.10329	14.4
79.05461	7.4
81.07056	10.0
84.96645	8.3
85.02900	7.9
91.05499	11.5
99.08097	10.4
105.07079	12.2
107.08585	30.3
109.10165	10.5
133.10124	64.7
151.11182	22.7
169.12216	21.3
193.15977	11.2
195.25310	7.7
257.04446	9.1
278.23080	8.0
294.09680	9.0
329.01749	7.6
384.60178	8.8
390.13348	8.9
409.18372	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99032	1.1
55.05492	2.2
58.93472	1.4
62.21897	1.2
64.96843	1.1
69.07061	6.0
69.22176	4.6
69.22610	4.9
71.04991	16.6
71.32616	1.1
72.97453	1.1
81.07067	4.0
83.47237	1.3
85.02914	2.5
85.06550	2.3
91.05471	2.8
93.07034	2.5
95.04947	1.4
95.08604	6.7
97.06513	1.8
99.04451	46.2
102.73193	1.2
105.07013	2.8
107.08587	6.4
109.10166	3.5
111.04427	1.3
111.79952	1.1
113.09641	4.4
115.07573	3.1
119.08594	4.3
121.10178	3.2
123.08073	1.7
123.11758	1.9
125.09609	1.6
129.05525	1.2
133.10133	4.2
135.11676	18.8
135.12558	1.9
141.12740	1.8
147.11583	1.3
151.14813	3.4
175.14825	8.0
185.04247	2.9
193.15897	4.2
211.16927	100.0
212.17281	5.1
229.05037	1.5
235.54926	1.2
240.86380	1.3
247.09419	18.7
257.04407	3.6
278.01022	1.4
311.87106	1.4
409.09296	2.3
409.14716	7.8
427.84470	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76943	0.9
55.05516	1.2
65.75466	0.9
67.05509	2.7
69.07072	2.9
69.30334	1.5
69.30741	5.3
71.05014	1.6
79.05489	1.1
81.07057	2.6
83.05006	1.2
85.02918	1.3
85.06557	6.2
91.05458	1.5
93.07061	5.1
95.08596	4.1
98.23351	1.5
99.08092	1.5
105.07042	2.7
107.08583	4.9
109.06496	1.3
109.10149	9.3
113.06057	1.2
119.08556	2.9
121.10132	2.8
123.04436	2.0
123.11755	2.8
133.10114	1.7
135.11691	13.2
137.05951	1.3
147.11690	3.7
149.13277	3.5
153.12767	7.7
155.04936	0.9
161.06000	1.1
165.12790	2.9
167.14348	1.1
173.05980	1.2
175.14818	5.4
181.08603	0.9
183.78917	0.8
185.04237	1.1
185.26266	1.1
193.12257	3.7
193.15858	1.1
203.03523	1.1
203.05267	1.4
207.10167	1.3
211.16919	47.1
212.17348	2.8
229.04968	11.2
229.12225	1.7
229.14316	8.0
230.05737	1.6
245.04433	1.3
247.09418	49.2
247.13341	3.0
257.04453	36.3
258.05289	2.8
270.70245	0.9
271.05890	1.5
287.05487	5.2
395.70020	0.9
409.09180	25.0
409.18542	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
58.26965	0.8
58.79480	0.7
60.62549	0.7
69.07066	1.7
69.08132	7.0
69.08456	1.3
71.04996	3.6
81.07062	2.2
85.02921	1.2
85.06545	2.8
91.70051	0.7
93.07050	3.4
95.08605	2.5
99.08089	1.6
105.07021	1.2
107.08594	5.2
109.10152	7.2
111.08053	1.3
112.05648	0.7
113.06008	1.2
113.59063	0.8
119.08545	2.3
121.10173	3.1
123.08035	0.7
123.11718	6.8
127.11259	0.9
129.93680	0.9
133.10152	2.3
135.11690	8.4
137.09613	4.2
147.11792	0.9
149.13263	1.5
151.73605	0.8
153.12717	4.1
165.12880	1.0
175.14885	2.9
188.92018	0.9
193.15854	3.7
211.16914	32.2
212.17303	2.2
226.79488	0.8
229.05069	1.6
229.14261	1.4
247.09448	3.5
247.13139	3.1
257.04440	5.1
287.05594	0.9
337.19302	0.8
409.09381	2.5
409.18317	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.4
57.03438	10.1
67.05513	9.9
69.03430	6.0
69.07071	4.8
71.05017	2.9
71.29915	3.9
71.86607	2.4
79.05496	7.9
81.03420	48.4
81.07056	16.4
82.03747	3.6
83.04990	5.2
83.08617	11.5
85.02903	13.5
86.53089	2.6
91.05489	10.3
93.07069	10.5
94.82424	2.8
95.04965	10.9
95.08611	17.4
97.06521	3.2
105.07051	11.4
107.08585	12.7
109.06490	5.2
109.10165	22.4
111.08089	4.9
117.72839	2.9
119.08575	51.7
121.10109	15.0
123.08107	4.1
123.11736	8.9
129.07033	5.8
131.08594	8.0
133.06590	2.5
133.10146	26.7
135.11694	17.5
137.09619	10.6
140.52531	2.7
145.04977	3.7
147.11678	6.5
149.13292	4.9
153.81310	3.0
157.10143	5.1
157.81837	3.1
165.16321	3.2
175.11246	5.1
175.14818	37.9
176.15187	3.5
193.12294	13.1
193.15884	86.5
194.16237	3.1
194.39313	3.0
211.13336	3.4
211.16927	11.7
216.07433	3.7
223.96242	2.6
224.12210	2.6
229.17996	5.3
267.15887	100.0
268.16263	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73819	7.9
52.09296	8.3
54.86057	6.9
56.18375	6.7
58.08199	6.8
66.67725	6.8
67.05511	14.1
69.14740	7.3
71.10329	14.4
79.05461	7.4
81.07056	10.0
84.96645	8.3
85.02900	7.9
91.05499	11.5
99.08097	10.4
105.07079	12.2
107.08585	30.3
109.10165	10.5
133.10124	64.7
151.11182	22.7
169.12216	21.3
193.15977	11.2
195.25310	7.7
257.04446	9.1
278.23080	8.0
294.09680	9.0
329.01749	7.6
384.60178	8.8
390.13348	8.9
409.18372	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.4
57.03438	10.1
67.05513	9.9
69.03430	6.0
69.07071	4.8
71.05017	2.9
71.29915	3.9
71.86607	2.4
79.05496	7.9
81.03420	48.4
81.07056	16.4
82.03747	3.6
83.04990	5.2
83.08617	11.5
85.02903	13.5
86.53089	2.6
91.05489	10.3
93.07069	10.5
94.82424	2.8
95.04965	10.9
95.08611	17.4
97.06521	3.2
105.07051	11.4
107.08585	12.7
109.06490	5.2
109.10165	22.4
111.08089	4.9
117.72839	2.9
119.08575	51.7
121.10109	15.0
123.08107	4.1
123.11736	8.9
129.07033	5.8
131.08594	8.0
133.06590	2.5
133.10146	26.7
135.11694	17.5
137.09619	10.6
140.52531	2.7
145.04977	3.7
147.11678	6.5
149.13292	4.9
153.81310	3.0
157.10143	5.1
157.81837	3.1
165.16321	3.2
175.11246	5.1
175.14818	37.9
176.15187	3.5
193.12294	13.1
193.15884	86.5
194.16237	3.1
194.39313	3.0
211.13336	3.4
211.16927	11.7
216.07433	3.7
223.96242	2.6
224.12210	2.6
229.17996	5.3
267.15887	100.0
268.16263	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0917
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
57.74678	0.2
69.55516	1.1
81.93950	0.2
90.02528	0.2
91.05429	1.0
95.04940	0.2
110.06544	0.2
119.04939	1.9
123.04432	3.6
130.82373	0.2
131.04854	0.4
145.06377	0.4
146.26199	0.2
147.04410	3.4
155.04863	0.8
165.05412	0.4
173.06006	0.4
175.03893	1.1
183.04428	0.6
187.03769	0.2
201.05453	1.4
203.03392	5.0
213.05482	0.6
229.04945	12.1
230.05595	1.0
241.04951	0.6
245.04446	10.6
246.04816	0.4
247.13225	0.4
257.04437	100.0
258.04941	7.3
259.05997	0.6
269.04535	0.7
271.06033	0.9
285.03708	0.2
287.05466	5.2
391.08163	0.7
409.09216	31.1
409.18097	16.4
410.09546	3.1
410.18137	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0917
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
66.15267	0.4
68.99773	0.5
71.04959	0.5
71.30067	0.4
81.07023	0.9
91.05466	0.6
95.04317	0.4
103.05469	0.5
105.03371	0.6
105.07005	0.5
107.08517	0.5
107.43430	0.4
109.06538	0.4
117.07004	1.0
119.04902	1.0
123.04430	9.9
123.11713	2.0
123.12453	0.4
124.12037	0.4
131.04906	0.7
137.05934	0.7
137.09615	1.2
145.06375	0.6
147.04437	1.9
149.05893	0.6
155.03841	0.4
155.04950	3.0
173.05948	1.6
173.07306	0.4
175.03967	0.5
183.04398	1.7
187.03830	1.2
189.09009	0.4
194.08949	0.5
200.04756	0.6
201.05472	4.8
202.06288	2.4
203.03362	1.2
204.51492	0.4
212.10023	0.6
213.05370	2.6
213.10028	0.4
215.03427	0.8
228.04105	0.9
229.04961	33.7
230.05626	6.7
230.72542	0.4
245.04533	4.1
247.13147	2.1
257.04449	100.0
258.05069	12.2
259.05865	1.4
268.37811	0.4
269.04465	0.9
271.05963	4.8
285.03973	1.0
287.05490	15.7
288.05896	0.6
299.05569	0.5
355.79639	0.4
391.07944	1.9
409.09262	72.2
409.18198	48.6
410.09604	8.5
410.18356	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.5
53.03945	0.5
55.01862	1.1
64.38944	0.4
65.03943	0.7
67.05501	0.8
68.99783	1.1
69.03413	0.7
70.45415	1.1
71.01385	0.4
75.51153	0.3
77.03912	0.7
79.05489	0.8
81.03420	0.7
81.07059	0.4
83.01339	0.8
85.02875	0.6
89.03899	0.6
91.05482	7.5
93.07029	0.8
95.01315	1.3
95.04974	1.2
96.50440	0.3
97.02882	0.4
103.05458	0.6
105.03376	1.2
105.07035	1.7
105.54736	0.3
107.04964	2.1
107.45362	0.4
107.49361	0.4
109.06496	0.4
111.00803	0.4
111.04433	0.4
114.05536	1.3
115.05446	3.0
117.03376	0.8
117.06994	0.5
119.04942	18.0
119.08588	0.5
121.02882	1.7
123.04431	34.3
124.04801	0.8
131.04916	1.6
131.08571	0.5
133.06471	1.7
133.10117	0.4
135.04443	1.9
137.02348	0.9
137.05946	1.4
139.03894	1.5
141.01776	0.4
141.06966	0.4
143.04930	5.5
145.02841	1.8
145.10056	0.5
147.04407	46.6
148.04764	2.0
149.02345	0.8
149.04662	0.6
149.05978	1.7
151.03883	2.7
151.07494	0.5
153.05455	1.5
153.06694	0.3
155.04933	0.4
157.06403	0.5
159.04413	1.3
159.11656	0.4
161.05980	22.3
161.09608	0.7
162.06371	0.9
163.03915	3.7
165.05482	11.1
166.07246	4.3
169.04965	0.6
171.04382	2.2
173.05991	1.6
175.03918	5.8
176.04630	0.4
177.05481	9.1
179.03340	0.4
179.06989	1.1
181.06354	0.5
183.04439	1.4
185.04202	0.5
185.05925	1.1
187.03868	1.5
187.05234	0.8
189.05467	33.0
190.05824	2.0
191.03398	0.5
193.04973	3.1
197.05960	1.4
199.03802	2.8
201.05499	2.6
203.03391	55.7
204.03780	2.4
205.04761	0.4
207.06499	2.1
211.03966	0.7
213.05464	3.0
215.03464	1.0
217.04982	2.6
221.04445	4.8
225.05478	0.6
229.04968	6.0
230.05743	2.4
231.06448	0.8
233.02444	1.9
233.04536	1.6
241.04921	0.9
243.06538	0.5
244.08316	0.6
245.04449	38.9
246.04852	2.7
247.05957	1.3
247.13164	0.9
253.05011	0.8
257.04443	100.0
258.04907	8.2
259.05978	3.1
269.04523	2.8
271.06018	5.1
272.06439	0.6
283.05994	2.9
287.05493	20.8
288.05844	1.1
297.07547	0.5
299.05490	6.3
300.05804	0.6
391.08099	3.2
391.12756	0.5
409.09143	66.7
410.09396	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
64.70586	0.4
69.03437	0.4
69.13298	2.2
69.13699	0.4
81.07078	0.5
83.05025	0.4
104.33141	0.3
119.08559	0.4
121.10029	0.3
131.08499	0.5
137.05977	0.8
145.05014	0.5
154.64740	0.4
163.03998	0.4
165.09116	0.6
185.04202	3.7
193.08511	0.3
203.05310	0.8
215.03232	0.6
229.04733	0.4
245.04361	0.4
246.05009	2.2
247.05795	17.4
248.06206	0.8
257.04471	0.6
258.01752	0.4
287.05493	1.3
409.11072	100.0
409.18399	11.5
410.11371	8.0
410.19296	0.4
415.94199	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
68.99754	0.7
68.99973	1.4
69.00375	2.6
69.03414	0.7
75.90272	0.4
79.05492	0.5
81.07057	0.5
84.08153	0.7
86.56282	0.5
87.45716	0.5
98.22636	1.3
103.72570	0.5
105.07013	0.9
107.05000	0.5
109.06522	0.7
119.05006	0.6
123.04412	4.4
125.05991	1.4
135.04427	1.0
137.05945	1.0
138.05490	0.5
139.03880	1.0
143.08543	0.5
145.02838	0.6
145.06448	0.5
147.04434	1.1
149.05980	1.0
151.03917	2.1
153.09123	0.5
155.90987	0.5
157.10141	0.6
160.25198	0.5
161.05981	0.9
163.03860	3.8
165.05490	0.6
175.03899	1.0
177.05507	1.1
185.04195	9.0
185.05713	0.8
187.03880	0.6
189.05504	1.0
198.50346	0.5
203.03452	2.0
213.05511	1.0
213.07492	0.8
229.04982	1.2
229.12227	0.6
231.06429	0.5
241.04962	0.7
245.04449	2.4
246.04950	1.7
246.07358	0.6
247.05801	9.6
247.07860	0.5
257.04425	4.8
258.05051	0.7
259.06104	1.9
283.06003	0.8
287.05469	4.5
409.11047	100.0
410.11276	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
68.99792	1.0
69.26595	1.4
69.26998	2.8
79.05505	1.0
81.07064	0.7
84.08163	0.8
89.21478	0.7
91.05510	0.9
93.03423	0.6
95.04953	0.8
105.07041	1.2
107.04946	1.1
109.06480	0.5
109.10210	0.6
116.21548	0.6
117.03441	0.6
121.02898	0.9
121.06502	1.0
123.04422	10.8
125.05997	2.4
131.04915	0.9
135.04388	1.3
137.02356	0.5
137.05983	0.7
139.03929	1.6
145.02859	0.7
147.04434	2.0
149.05995	1.3
151.03929	3.7
153.05502	0.5
157.06500	1.0
161.05989	1.3
163.03909	8.3
165.05547	1.0
165.77927	0.5
171.04428	0.7
173.06088	0.8
175.03960	2.5
177.05530	2.4
185.04218	9.9
185.05809	0.8
187.03951	0.9
189.05455	1.2
193.05023	2.0
197.22418	0.7
199.03865	0.7
201.05455	1.0
203.03387	2.8
207.04979	0.5
213.05548	1.8
213.07532	0.9
215.03519	1.0
217.05031	1.0
229.04976	2.6
231.06532	0.9
241.05031	2.1
245.04465	4.9
246.05008	2.3
247.05882	13.6
248.06226	0.6
255.06519	0.7
257.04425	10.8
258.05240	1.8
259.06000	7.0
269.04614	0.8
271.06110	2.1
283.05997	3.5
287.05472	10.2
299.05612	1.6
299.09378	0.5
378.09351	0.7
391.08063	1.0
393.58194	0.6
409.11063	100.0
410.11435	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
56.68662	0.4
67.05497	0.4
68.99782	0.8
69.04552	0.5
70.06584	1.2
71.04996	0.8
82.02945	2.5
91.05483	0.8
96.05632	0.5
98.05974	0.4
98.23460	0.5
99.93858	0.3
105.07019	0.6
108.45541	0.4
110.02377	1.1
111.03178	0.7
114.05527	25.7
117.25438	0.4
119.04943	0.5
120.08101	0.4
123.04426	6.7
123.06674	1.0
124.05060	2.6
125.05981	0.5
126.05553	0.9
137.02341	1.8
137.05983	1.0
138.01828	1.3
139.03893	1.1
142.05008	4.6
147.04391	1.6
149.03365	0.8
149.04582	13.6
150.04176	0.8
151.03880	1.4
152.03421	1.4
155.03389	1.6
159.04407	0.6
161.05978	1.0
163.03911	7.5
165.06592	0.5
166.07242	100.0
167.05634	1.1
167.07709	1.9
169.04964	11.7
170.04474	1.5
173.05905	0.5
174.07600	4.2
175.03926	1.6
177.05458	1.0
180.02917	1.7
182.08127	0.8
184.06027	1.0
184.07860	0.4
185.05959	1.1
187.03844	0.6
189.05414	0.9
192.05139	0.4
193.04922	2.1
198.07756	0.5
201.05415	0.8
203.03354	2.8
206.10411	0.9
212.05547	1.1
213.05495	1.0
216.08821	3.3
217.05034	0.7
220.08319	0.6
228.08835	0.9
229.04956	1.6
230.05617	0.7
231.06554	0.9
241.04962	1.4
243.06500	0.4
244.08156	9.9
244.10478	0.8
245.04459	4.0
245.08513	0.8
247.05940	2.4
257.04440	5.9
258.05084	0.8
259.06042	3.5
266.06662	0.8
271.06042	1.2
281.07727	0.4
283.05978	1.8
287.05521	7.3
288.05716	0.5
297.07666	0.5
298.09280	0.7
299.08817	0.5
341.10568	0.4
373.12448	0.8
377.12039	0.6
391.08139	0.9
391.13440	1.6
409.09113	9.6
409.14636	9.7
410.09915	0.9
410.14722	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.147
Annotation	Unknow
Peak:m/z	Relative Intensity
63.30282	0.5
67.05558	0.5
70.66692	1.0
70.67059	0.4
74.52159	0.4
81.07095	1.1
85.02914	0.5
91.05510	1.0
93.07087	0.7
95.05005	0.7
98.22716	0.7
105.07077	1.3
117.49303	0.4
123.04355	0.8
150.26671	0.5
159.08197	0.5
181.10222	0.4
185.04208	4.6
203.03481	0.5
203.10472	0.9
229.04950	1.6
231.27556	0.4
245.04440	0.7
247.09413	100.0
248.09808	4.6
257.04425	9.1
258.05154	0.6
274.69144	0.5
287.05362	1.3
293.13318	0.5
365.15341	0.7
409.09045	4.0
409.14462	31.5
409.22327	1.0
410.09479	1.0
410.14777	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16512	0.6
79.05497	0.7
91.05479	0.8
94.60658	0.5
119.04941	0.8
123.04424	1.3
131.32487	0.5
139.34132	0.6
147.04427	1.5
163.03876	0.6
175.03864	0.7
176.14519	0.5
182.58865	0.6
185.04219	0.8
201.05487	0.7
203.03424	2.4
229.04942	5.6
245.04419	4.6
247.09416	100.0
248.09738	5.2
257.04446	47.9
257.07230	1.1
258.04892	2.9
287.05487	2.3
387.50803	0.5
409.09103	12.3
409.14624	52.2
410.09296	1.9
410.14990	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
62.55037	0.4
69.16829	2.8
69.17238	0.6
70.06637	0.4
73.26762	0.4
81.07065	0.5
85.02911	0.7
95.08620	0.9
98.23404	0.8
102.56798	0.4
105.07021	0.6
107.08556	0.5
121.10125	0.5
123.04438	2.3
123.11689	1.3
131.04883	0.5
135.04379	0.5
137.02327	0.6
137.05957	0.5
147.04327	1.1
157.10190	0.4
163.03847	1.6
175.03838	0.7
177.05373	0.6
177.16269	1.0
179.26068	0.4
180.36043	0.5
185.04158	1.2
189.05287	2.2
201.05539	0.5
203.03371	0.7
203.05154	0.9
205.04889	0.5
229.04889	1.3
229.11909	0.5
230.05559	0.6
231.06313	0.9
245.04442	1.6
246.08635	4.4
247.06371	0.6
247.09430	10.0
247.12202	0.5
247.13226	1.0
257.01965	0.7
257.04449	8.1
258.04916	0.5
287.05481	2.5
299.05521	0.5
345.77106	0.5
349.13901	0.5
379.13312	0.6
409.09494	6.9
409.14435	100.0
410.09439	0.9
410.14716	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
69.23413	2.8
80.80386	0.4
89.16669	0.5
96.88354	0.4
116.01675	0.7
117.02029	0.5
129.91196	0.4
162.02235	1.1
162.05615	0.5
173.07047	0.5
196.09982	0.6
197.07062	1.2
197.10822	1.0
198.07834	1.0
199.08691	3.2
200.09372	0.9
200.65862	0.4
201.10207	0.6
205.09729	0.5
211.08630	5.3
212.09319	2.1
213.06668	0.5
213.10233	3.5
215.08246	0.8
215.11855	2.1
217.09666	2.3
223.12314	1.1
224.09502	1.4
225.06577	1.5
225.10196	6.8
226.07309	0.8
226.10837	0.8
227.08142	1.9
228.09003	0.6
229.09727	3.0
231.11365	1.0
238.07347	0.7
239.08160	7.9
239.11720	4.6
240.08917	4.2
240.11331	0.5
241.09698	7.2
242.10460	1.4
243.07617	2.3
243.11282	8.5
244.11603	0.5
245.09346	0.7
247.05731	0.5
250.22191	0.5
251.12015	0.5
252.08942	1.6
253.09721	10.7
254.10356	1.0
255.11266	0.5
257.04514	1.0
257.09280	3.6
257.12866	1.9
258.09824	1.0
259.10764	4.2
267.07648	2.9
267.11304	6.0
268.08459	7.8
268.11566	1.0
269.09146	1.9
269.12799	1.4
271.10767	36.6
272.11310	2.6
273.12308	3.0
275.10236	3.5
276.10648	0.6
277.11859	4.4
281.09213	1.3
283.10898	0.6
285.08701	2.5
285.12347	6.9
287.05463	0.7
287.14035	0.6
289.11835	2.8
295.10739	5.2
297.12192	0.6
299.14056	0.9
300.11096	1.4
303.13278	1.0
313.11868	8.0
314.12277	0.9
317.11398	2.8
317.14603	0.7
318.12152	0.9
323.10257	9.6
324.10474	0.8
326.08847	0.7
327.13519	1.8
331.12729	0.8
335.12387	4.1
341.11316	19.3
342.11642	1.9
345.14517	2.1
347.16058	0.5
349.13940	1.4
355.12869	4.8
356.13251	0.5
359.12378	3.0
373.13943	15.6
374.14078	1.2
391.14993	24.1
392.15466	2.7
409.16037	100.0
410.16327	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60002	0.5
61.80124	0.5
67.05479	0.5
68.80592	0.6
68.99784	0.6
69.03418	0.7
69.43229	3.6
69.93034	0.5
70.93428	0.6
85.02890	0.7
91.05488	1.1
98.23354	0.6
101.77589	0.5
119.04947	1.5
119.08633	0.6
123.04431	13.5
137.05975	2.2
147.04393	3.2
151.03796	0.9
161.06001	1.2
163.03917	2.2
175.03975	0.6
177.05479	0.9
185.04234	1.0
193.04967	2.2
194.82956	0.6
201.05487	0.8
203.03436	3.5
203.05177	1.0
213.05363	0.8
215.03365	0.9
217.05043	0.9
229.04927	3.8
229.12027	0.7
231.06441	0.7
241.04933	1.1
245.04439	9.9
246.04878	1.4
247.05791	3.8
257.04443	15.8
258.05164	3.0
259.06030	1.6
269.04248	1.2
271.06021	1.5
287.05496	12.0
288.05933	0.8
299.05490	1.4
409.10028	24.2
409.18307	100.0
410.09982	2.2
410.18646	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54408	0.3
54.19398	0.2
55.34067	0.2
69.03438	0.3
69.05987	2.0
123.04424	0.9
127.07509	0.5
137.05986	0.3
150.41423	0.3
155.06963	0.4
181.04900	0.3
189.08890	0.4
229.04939	0.6
229.12061	1.1
245.04373	0.4
247.12994	1.5
257.04456	3.0
258.05099	0.3
259.06046	0.3
268.45416	0.3
285.09451	0.9
287.05484	1.0
409.18347	100.0
410.18661	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88054	0.3
67.05518	0.3
71.07161	0.4
74.68682	0.2
74.82642	0.2
85.06543	0.4
95.08578	0.3
105.06998	0.3
107.08559	0.3
109.10134	0.5
119.08577	0.3
123.04478	0.5
126.42555	0.2
133.64803	0.2
135.11678	0.6
136.12036	0.5
144.95894	0.3
149.05939	0.2
153.12775	0.4
154.13014	0.3
157.53516	0.3
157.64047	0.3
165.65996	0.2
201.05589	0.3
203.05171	0.4
211.16931	1.2
212.17303	1.8
229.04953	1.7
229.12143	0.3
242.78920	0.3
245.04359	0.3
247.09395	5.5
247.13057	3.1
257.04422	4.8
258.05154	0.8
287.05511	0.8
409.09286	3.5
409.18335	100.0
410.10294	0.4
410.18719	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01854	2.4
55.05498	5.7
57.03435	5.5
65.03928	2.8
67.05511	7.4
69.03430	33.8
69.17582	18.8
79.05492	6.7
81.03421	5.6
81.07045	4.9
83.04978	43.6
85.02934	11.4
85.06583	2.7
91.05482	20.4
93.07043	24.5
95.04929	6.4
95.08621	5.7
97.02887	13.5
99.04465	3.2
105.07045	11.0
107.08591	56.9
109.02889	12.3
109.06518	7.9
111.04501	2.9
111.08076	3.0
113.05997	4.4
115.05486	3.1
117.07013	7.6
119.08588	17.9
121.06512	48.4
121.10144	3.3
123.04405	5.1
123.08083	4.3
127.03873	12.6
127.07552	5.4
128.06195	3.2
131.08546	12.4
131.79933	2.3
133.06520	3.8
133.10133	8.3
135.04396	2.9
135.08041	100.0
136.08368	3.5
137.05969	3.2
137.09612	3.3
143.08543	4.9
144.09402	4.4
145.04948	2.6
145.06462	9.8
145.10143	6.8
147.08051	7.3
149.05949	6.3
149.09645	10.0
153.09071	5.7
155.08577	2.7
156.09518	2.8
157.10080	3.5
158.10970	5.2
159.08090	13.7
159.11699	18.2
161.05995	2.9
161.09636	7.2
161.13263	4.2
163.07553	41.1
170.10829	2.4
171.08112	2.7
172.08810	5.5
173.05957	2.7
173.09654	10.9
173.13289	27.2
174.06616	2.9
183.11668	4.5
185.13342	2.4
186.10400	8.1
187.11165	44.3
189.09135	4.1
189.12741	5.2
191.06982	11.9
191.14336	6.7
196.08861	2.4
199.03693	2.4
201.12741	40.8
203.14328	7.3
205.12263	42.1
211.11195	3.7
219.13806	42.3
229.04967	4.6
229.12234	54.9
229.14432	3.6
234.97511	2.4
245.04504	2.5
247.09497	4.3
247.13289	97.8
248.13615	2.8
257.04398	33.4
258.04904	4.4
287.05469	4.3
409.09756	15.0
409.13596	2.9
409.18430	36.9
410.18573	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1856
Annotation	CHEBI:70176
Peak:m/z	Relative Intensity
50.73916	2.0
53.03942	4.2
53.23759	1.6
55.05506	4.1
57.03435	6.7
61.02919	2.5
62.94619	1.6
65.03934	2.1
67.05523	4.3
68.99767	2.7
69.03431	26.8
69.34760	9.6
69.35162	3.0
79.05503	8.1
81.03451	5.2
81.07063	5.8
83.04986	41.2
83.05457	3.0
85.02908	6.9
85.06555	2.5
91.05484	18.5
93.07042	21.6
95.04987	5.1
95.08605	3.0
97.02913	12.4
104.58596	2.1
105.07027	14.5
107.04986	2.7
107.08598	51.3
109.02876	8.2
109.06512	8.7
109.10139	2.2
111.04412	2.9
111.08089	2.0
113.06013	2.8
115.05407	2.9
117.07011	9.7
119.04946	3.2
119.08580	14.9
121.02883	3.2
121.06512	44.4
121.07353	3.3
121.10148	3.6
123.04477	5.2
123.08065	4.0
125.06072	1.8
125.09645	1.9
127.03928	12.8
127.07579	5.4
129.07014	3.1
131.08545	13.4
133.10150	6.9
135.08052	100.0
135.11682	2.8
136.08409	2.5
137.05988	2.9
143.08539	2.9
144.09396	2.7
145.06503	8.1
145.10138	7.5
147.04424	5.9
147.08054	9.0
149.05998	5.5
149.09663	8.0
153.01857	3.2
153.05475	2.8
153.09178	3.6
155.01248	1.7
155.08650	2.3
157.10109	3.0
158.10915	6.3
159.08075	7.9
159.11662	20.1
160.08844	3.0
161.09642	9.8
161.13216	2.2
163.07544	36.9
165.09111	2.9
169.10240	2.1
170.10825	2.6
171.08031	2.4
172.08791	5.1
173.09645	9.7
173.13269	24.1
177.09131	3.0
177.12830	3.6
183.11720	4.3
185.09567	2.2
185.13263	3.2
185.48756	1.9
186.10422	7.3
187.11189	39.0
189.09128	2.3
189.12753	2.9
191.07045	11.0
191.14290	6.2
201.12767	43.2
203.03410	9.5
203.14391	5.1
205.12250	43.3
206.12761	2.6
211.11183	4.4
218.29378	2.0
219.13812	43.8
219.15849	3.2
229.04970	8.4
229.12242	52.0
230.12578	2.1
245.04539	11.0
247.13295	86.4
248.13655	5.9
256.55078	2.4
257.04453	82.9
258.04980	6.3
287.05539	5.8
409.09326	28.2
409.18317	5.8
410.09460	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1855
Annotation	Macrocliniside C
Peak:m/z	Relative Intensity
53.03934	2.7
55.01854	2.4
55.05498	5.7
57.03435	5.5
65.03928	2.8
67.05511	7.4
69.03430	33.8
69.17582	18.8
79.05492	6.7
81.03421	5.6
81.07045	4.9
83.04978	43.6
85.02934	11.4
85.06583	2.7
91.05482	20.4
93.07043	24.5
95.04929	6.4
95.08621	5.7
97.02887	13.5
99.04465	3.2
105.07045	11.0
107.08591	56.9
109.02889	12.3
109.06518	7.9
111.04501	2.9
111.08076	3.0
113.05997	4.4
115.05486	3.1
117.07013	7.6
119.08588	17.9
121.06512	48.4
121.10144	3.3
123.04405	5.1
123.08083	4.3
127.03873	12.6
127.07552	5.4
128.06195	3.2
131.08546	12.4
131.79933	2.3
133.06520	3.8
133.10133	8.3
135.04396	2.9
135.08041	100.0
136.08368	3.5
137.05969	3.2
137.09612	3.3
143.08543	4.9
144.09402	4.4
145.04948	2.6
145.06462	9.8
145.10143	6.8
147.08051	7.3
149.05949	6.3
149.09645	10.0
153.09071	5.7
155.08577	2.7
156.09518	2.8
157.10080	3.5
158.10970	5.2
159.08090	13.7
159.11699	18.2
161.05995	2.9
161.09636	7.2
161.13263	4.2
163.07553	41.1
170.10829	2.4
171.08112	2.7
172.08810	5.5
173.05957	2.7
173.09654	10.9
173.13289	27.2
174.06616	2.9
183.11668	4.5
185.13342	2.4
186.10400	8.1
187.11165	44.3
189.09135	4.1
189.12741	5.2
191.06982	11.9
191.14336	6.7
196.08861	2.4
199.03693	2.4
201.12741	40.8
203.14328	7.3
205.12263	42.1
211.11195	3.7
219.13806	42.3
229.04967	4.6
229.12234	54.9
229.14432	3.6
234.97511	2.4
245.04504	2.5
247.09497	4.3
247.13289	97.8
248.13615	2.8
257.04398	33.4
258.04904	4.4
287.05469	4.3
409.09756	15.0
409.13596	2.9
409.18430	36.9
410.18573	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
54.66132	4.5
55.05504	28.8
59.62696	3.9
60.05523	3.9
67.05506	39.9
69.03433	5.6
69.07069	11.0
71.30628	7.2
78.56931	3.7
79.05504	25.1
81.07056	27.1
83.04983	42.2
83.08618	3.8
91.05482	27.6
91.35735	3.7
93.07054	54.6
95.04962	9.6
95.08604	78.6
97.06540	7.0
97.10175	4.9
105.07023	55.3
105.07674	5.2
107.07932	6.2
107.08600	39.9
109.06541	8.9
109.10175	14.9
111.04441	8.5
111.08096	8.7
113.06057	7.4
115.05446	5.3
117.07001	23.5
119.08594	35.7
121.06529	11.4
121.10162	14.4
123.04462	5.5
123.08072	28.1
125.09618	4.2
128.06232	12.4
129.06987	24.3
131.08566	23.9
133.10115	25.6
135.08078	12.3
135.11719	11.3
137.09641	4.7
139.07533	5.4
141.06989	15.0
141.09079	5.5
142.07791	13.0
143.08557	48.1
145.06468	12.7
145.10141	21.3
147.08015	10.4
147.11696	13.3
149.09608	4.6
153.06943	9.3
154.07794	9.3
155.08540	39.8
156.09325	14.9
157.06468	4.3
157.10132	45.3
158.10574	3.5
159.08104	12.8
159.11702	22.1
161.09616	17.6
161.13344	4.5
163.07533	5.9
163.11212	11.4
165.07024	11.6
166.07729	6.8
167.08618	13.9
169.10138	49.0
171.08118	6.3
171.11694	27.9
173.09644	8.4
173.13274	7.9
175.11198	12.2
179.08588	14.3
180.09317	8.1
181.10120	39.9
182.07162	3.8
182.10782	10.5
183.08043	4.4
183.11662	25.5
184.08691	3.8
185.09526	18.5
185.13277	14.0
187.11189	11.7
189.12810	13.1
192.09302	7.8
193.10159	13.0
194.10881	13.3
195.08037	7.5
195.11662	30.8
197.09695	18.1
197.13231	9.0
198.13962	4.8
199.11232	7.9
199.14789	6.9
201.09091	5.5
201.12798	7.0
203.10678	8.3
203.14317	4.4
205.10155	9.4
207.11699	26.6
208.12379	8.4
209.09628	12.2
209.13246	93.3
210.13710	7.9
211.11200	13.3
211.14960	6.1
213.09108	20.2
213.16481	4.2
215.10721	28.6
219.11748	7.6
221.13229	13.1
222.17357	3.7
223.11171	10.8
223.14778	21.5
225.16444	8.0
227.10706	20.3
229.12192	24.2
231.13756	5.2
233.13254	13.7
235.11121	6.8
235.14803	13.7
237.12793	8.8
237.16292	7.0
239.14420	3.8
241.12204	23.2
241.19438	7.7
249.12827	12.7
249.16344	5.0
251.14330	29.3
251.17915	6.0
257.13110	4.8
261.12970	5.3
261.16284	4.3
263.14505	6.8
267.13824	12.1
269.15384	100.0
269.18475	7.1
275.14191	7.7
277.15842	10.1
281.15265	6.4
293.15457	6.8
295.16916	23.6
295.20215	5.5
299.20377	5.3
309.18405	6.8
310.19272	5.7
328.09366	8.3
345.22009	8.3
349.21634	5.1
349.25739	4.6
355.20633	7.1
363.23199	35.3
365.24734	14.5
373.21558	27.3
391.22473	45.5
392.22964	8.7
409.16403	3.7
409.17651	5.7
409.23154	83.8
410.24472	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87774	1.4
53.03947	1.5
55.05514	8.8
57.03434	2.0
57.07076	1.6
67.05508	16.4
69.03430	1.7
69.07061	7.5
69.30669	3.3
69.31083	5.7
71.05022	1.8
79.05483	7.1
81.07056	15.8
81.69172	1.3
83.04969	9.3
83.08587	2.3
85.06565	2.2
91.05486	10.7
93.07044	19.2
95.04971	5.4
95.08607	36.6
96.08933	1.9
97.06540	4.9
97.10163	1.5
98.22955	4.7
99.84752	1.3
105.07023	14.3
107.08598	18.5
109.06521	4.0
109.10147	10.1
111.04472	2.7
111.08067	6.0
113.05984	1.8
115.05423	1.4
117.07003	7.2
119.08599	14.5
121.06514	5.9
121.10146	7.7
123.08065	16.3
125.09634	3.0
128.06267	4.0
129.07014	8.4
131.08569	8.4
133.10146	9.8
135.08031	6.1
135.11642	6.6
137.09612	2.0
139.07491	1.8
141.06967	9.9
141.09134	4.4
142.07776	4.5
143.08562	16.0
145.06488	7.0
145.10147	7.1
147.08035	4.0
147.11702	4.5
149.09633	3.0
149.13303	2.4
152.06146	1.3
153.06982	3.2
154.07776	3.1
155.08572	24.6
156.09296	4.9
156.65952	1.5
157.10150	12.0
159.08008	2.9
159.11723	3.8
161.09615	14.7
161.13283	4.4
163.07584	9.1
163.11166	7.9
165.07031	4.5
166.07813	2.3
167.08591	11.3
168.09340	5.3
169.08702	1.6
169.10133	31.9
170.10681	2.6
171.08104	3.0
171.11758	7.6
173.09720	2.0
175.11214	5.6
175.14815	1.7
177.09169	1.7
179.08501	9.6
179.10649	3.4
180.09387	3.3
181.10130	23.8
182.10875	3.9
183.08037	3.1
183.11696	9.6
185.09622	5.2
185.13293	4.0
189.12712	6.0
192.09340	4.9
193.10104	14.1
194.10931	11.8
195.08102	2.6
195.11690	25.8
197.09634	14.6
197.13287	3.5
199.11208	3.2
199.14856	1.9
201.09093	4.8
203.08678	2.0
203.10651	3.4
205.10150	5.6
206.10977	3.5
207.11703	26.5
207.13655	2.7
208.12424	5.2
209.09720	9.2
209.13251	100.0
210.13603	7.7
211.11198	9.3
211.14851	2.3
213.09039	6.4
213.12827	1.8
215.10689	24.8
217.12207	2.1
218.10898	1.8
219.11635	6.8
220.12512	4.5
221.09789	1.3
221.13243	10.9
223.11174	11.1
223.14781	8.8
225.12793	2.2
225.16405	1.7
227.10677	15.4
229.12224	18.8
231.11694	3.1
231.13792	2.0
233.13217	10.1
234.13974	1.7
235.11157	4.5
235.14821	13.5
236.15337	1.7
237.12704	6.5
237.16377	3.7
241.12245	22.2
242.12778	1.8
243.14014	1.6
245.09348	1.4
247.11208	3.3
247.14864	5.2
249.12773	17.0
249.16360	4.9
251.14334	28.2
252.14777	3.8
253.12231	2.6
253.15891	2.3
255.13791	4.7
257.04517	2.1
257.13361	1.6
259.14645	1.6
261.12793	4.6
263.14410	5.4
265.12296	3.2
265.15793	2.1
267.13837	6.9
269.15369	87.6
270.15662	8.0
273.12891	1.6
275.14343	7.5
277.15900	14.2
279.13913	3.1
279.17230	1.3
281.15396	5.5
283.16760	2.2
289.15717	2.2
291.17270	2.1
293.15317	4.0
295.17007	6.2
303.17474	2.4
303.21030	1.6
307.16953	2.0
309.18591	2.5
315.17484	2.8
317.18985	2.4
321.14838	1.3
327.21252	1.8
327.26639	1.6
331.20392	3.6
345.22028	9.1
349.21509	3.6
355.20758	8.9
363.23190	8.6
373.21588	30.2
373.26227	1.8
374.21957	3.6
391.22610	25.3
392.23218	2.5
409.23477	26.6
410.23938	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.3
55.01879	2.7
55.05516	21.5
65.03951	4.6
66.26263	2.6
67.05508	25.7
69.07058	14.3
71.05010	3.5
71.30590	4.3
71.69884	2.7
79.05505	18.6
81.07059	25.0
83.04985	41.5
83.08618	4.7
84.05283	2.9
85.06564	3.1
87.29202	2.3
91.05483	24.8
93.07042	39.3
95.04987	11.2
95.08612	42.7
97.06519	7.8
103.05487	3.4
105.07024	33.2
107.04977	4.4
107.08596	25.8
108.08951	3.0
109.06535	10.3
109.10147	17.0
111.04436	13.5
111.08076	11.6
116.06234	4.1
117.07014	15.0
119.08593	40.8
121.06512	18.5
121.10132	15.7
121.10912	2.4
123.08089	16.0
123.11683	4.3
128.06181	5.9
129.07021	10.0
131.08571	31.9
133.06493	23.7
133.10133	20.9
135.08054	13.9
135.11703	8.0
139.07520	2.7
141.07011	7.5
141.09116	3.5
142.07761	15.9
143.08588	28.8
144.09311	3.1
145.06517	12.2
145.10114	32.9
147.08078	16.5
147.11682	13.1
149.09636	6.1
153.07033	4.4
155.08565	21.4
156.09285	8.3
157.10127	100.0
158.10454	3.2
159.08098	10.2
159.11751	17.1
161.06003	19.1
161.09605	19.1
161.13295	4.8
163.07501	12.8
163.11172	13.2
165.06981	4.2
166.07797	3.4
167.08617	8.3
168.09348	7.5
169.10136	33.0
170.10902	4.1
171.07951	4.0
171.11671	29.2
172.08684	2.5
173.09631	21.8
173.13278	15.9
175.11191	16.5
179.08502	12.1
180.09372	5.5
181.10112	24.3
182.10858	12.4
183.08086	3.4
183.11702	45.4
184.12122	2.7
185.09634	8.9
185.13307	14.4
186.13843	3.4
187.11197	8.7
187.14844	8.7
189.09186	2.6
189.12802	13.5
191.08505	4.2
192.09332	6.6
193.10153	15.9
193.12004	3.6
194.10922	8.4
195.08177	4.3
195.11726	29.0
196.12239	4.1
197.09592	6.9
197.13290	18.7
199.11201	42.6
199.14828	11.6
200.11435	2.7
201.12698	5.3
201.16490	3.6
203.10777	3.8
203.14337	5.3
205.10114	3.7
206.10945	9.8
207.11729	31.5
207.13695	4.4
208.12369	6.2
209.13275	51.6
210.13734	5.0
211.11214	10.0
211.14818	9.0
213.12759	9.7
213.16370	5.3
215.10664	7.6
215.14366	4.5
217.10262	2.9
217.12230	31.2
218.10817	4.0
218.12701	3.3
219.11862	6.0
220.12460	7.0
221.09679	4.6
221.13226	23.9
222.13901	4.6
223.11247	24.1
223.14763	19.1
225.12743	13.2
225.16405	4.8
227.10751	5.5
227.14250	8.2
227.17757	6.5
229.12245	2.5
229.15854	3.9
233.13255	12.7
234.14034	3.9
235.11180	7.4
235.14783	33.8
236.15565	5.0
237.12749	6.8
237.16470	16.0
239.14400	5.8
239.17914	4.6
241.12230	34.6
241.15895	4.6
241.19551	7.2
243.13802	19.3
247.11162	2.8
247.14877	7.1
249.12755	9.1
249.16389	11.4
251.14354	24.2
251.17882	12.5
253.12120	4.7
253.15883	6.9
255.13879	4.2
255.17281	3.0
257.04474	4.1
259.14810	5.7
261.12604	5.0
261.16220	3.9
263.14331	7.3
263.17938	4.0
265.15826	7.2
267.13809	5.2
267.17435	4.9
269.15393	48.6
269.18945	17.0
270.15747	2.9
271.17068	5.0
275.14307	4.6
277.15903	23.6
279.17422	7.7
281.15430	7.2
281.18958	4.6
283.17178	3.6
289.15811	5.6
291.17462	5.4
292.18350	3.5
293.15414	3.6
295.16956	21.1
295.20370	5.7
299.20285	2.8
303.17224	3.5
303.20880	3.4
309.18564	11.6
310.19266	20.5
317.18863	4.1
327.20941	3.0
331.20560	5.5
335.20120	5.0
345.22079	8.8
349.17810	3.3
349.21640	5.9
355.20554	6.3
363.23181	12.7
363.27072	4.6
367.26288	8.3
373.21542	39.9
374.21973	3.1
381.28000	9.7
391.22104	31.0
391.26407	8.6
392.22742	3.9
409.09134	2.8
409.23352	26.8
409.28149	65.8
410.27655	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.3
57.03440	1.4
57.07092	2.0
61.27327	1.3
65.03930	2.2
67.05511	13.6
69.03418	2.6
69.07078	6.1
69.34492	1.8
69.34895	5.7
79.05486	6.6
81.07062	12.8
83.04985	7.0
83.08636	1.2
91.05496	10.6
93.07043	17.7
95.04976	4.3
95.08615	31.0
97.06538	5.9
97.10155	2.0
99.04443	1.9
105.07030	12.4
107.08607	14.2
109.06487	2.4
109.10150	8.3
111.04450	3.0
111.08073	5.0
113.06036	2.5
117.07014	7.0
119.08595	9.0
121.06515	5.5
121.10130	6.9
123.08068	18.7
125.09642	1.7
128.06230	3.1
129.06993	6.1
131.08577	5.0
133.10156	7.8
135.08051	3.7
135.11693	6.2
137.09608	2.3
139.07516	2.2
141.06949	8.2
141.09122	4.5
142.07780	2.9
143.08556	13.2
145.06532	4.9
145.10104	6.1
147.08057	4.8
147.11708	2.6
149.09648	1.7
151.03198	1.3
153.06955	2.7
154.07799	4.1
155.08556	22.6
156.09378	6.7
157.10138	9.7
159.08083	3.5
159.11717	2.7
161.09613	12.3
161.13287	3.8
163.07568	8.7
163.11168	6.4
165.07034	4.1
166.07802	2.9
167.08591	9.7
168.09415	3.3
169.10133	29.7
170.10617	2.4
171.11678	6.6
173.09590	2.3
175.11247	7.0
177.09166	2.0
178.07845	1.8
179.08525	9.4
179.10672	3.4
180.09372	3.9
181.10127	24.0
182.10765	3.9
183.08083	4.1
183.11673	6.6
184.15610	1.3
185.09631	5.5
185.13300	2.0
187.11246	2.4
189.12767	7.3
191.08624	1.7
192.09363	4.9
193.10147	14.3
194.10901	11.6
195.08035	2.9
195.11697	20.1
196.12216	1.7
197.09624	12.3
199.11269	2.7
201.09123	6.3
203.10696	3.7
205.10147	4.6
206.10966	2.7
207.11713	25.1
207.13727	2.4
208.12422	3.3
209.09674	6.9
209.13255	100.0
210.13582	6.1
211.11198	7.9
211.14818	1.5
211.94894	1.3
213.09145	4.0
215.10677	27.1
216.11058	2.5
217.10307	2.0
217.12326	3.2
219.11700	4.9
220.12468	2.6
221.13228	9.7
223.11205	12.0
223.14777	9.4
224.11557	1.7
225.12727	1.3
227.10686	16.0
229.12227	20.8
231.13892	1.7
233.09648	1.4
233.13246	7.8
235.11191	5.3
235.14845	11.5
237.12738	5.9
237.16414	3.8
241.12265	24.1
242.12698	2.1
243.11726	1.4
243.13863	1.7
247.11206	3.7
247.14932	2.9
249.12730	14.6
249.16458	3.9
250.13394	2.5
251.14319	29.0
252.14804	2.9
253.12288	2.9
253.15855	2.0
255.13811	4.5
259.14883	3.1
261.12723	3.0
263.14389	5.0
265.12286	4.3
267.13699	4.2
268.14468	2.1
269.15372	89.5
270.15793	6.8
275.14380	4.1
275.18021	2.1
277.15881	15.9
279.13812	2.7
279.17435	1.6
281.15399	4.6
289.15768	2.4
291.17542	2.5
293.15378	5.7
295.16949	9.7
297.18549	2.1
303.17389	2.2
303.20789	1.5
307.17078	2.2
309.18539	4.3
310.19049	1.7
315.17593	2.1
317.18994	1.6
321.18445	1.8
327.21164	2.2
331.20569	3.7
335.19983	3.2
345.22287	8.9
349.21677	4.9
355.20575	7.9
363.23169	7.8
373.21606	32.0
373.26294	1.9
374.21915	4.5
391.22623	25.4
392.23312	3.5
409.09235	1.7
409.23639	30.3
410.23987	4.2
414.04953	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.3
55.01879	2.7
55.05516	21.5
65.03951	4.6
66.26263	2.6
67.05508	25.7
69.07058	14.3
71.05010	3.5
71.30590	4.3
71.69884	2.7
79.05505	18.6
81.07059	25.0
83.04985	41.5
83.08618	4.7
84.05283	2.9
85.06564	3.1
87.29202	2.3
91.05483	24.8
93.07042	39.3
95.04987	11.2
95.08612	42.7
97.06519	7.8
103.05487	3.4
105.07024	33.2
107.04977	4.4
107.08596	25.8
108.08951	3.0
109.06535	10.3
109.10147	17.0
111.04436	13.5
111.08076	11.6
116.06234	4.1
117.07014	15.0
119.08593	40.8
121.06512	18.5
121.10132	15.7
121.10912	2.4
123.08089	16.0
123.11683	4.3
128.06181	5.9
129.07021	10.0
131.08571	31.9
133.06493	23.7
133.10133	20.9
135.08054	13.9
135.11703	8.0
139.07520	2.7
141.07011	7.5
141.09116	3.5
142.07761	15.9
143.08588	28.8
144.09311	3.1
145.06517	12.2
145.10114	32.9
147.08078	16.5
147.11682	13.1
149.09636	6.1
153.07033	4.4
155.08565	21.4
156.09285	8.3
157.10127	100.0
158.10454	3.2
159.08098	10.2
159.11751	17.1
161.06003	19.1
161.09605	19.1
161.13295	4.8
163.07501	12.8
163.11172	13.2
165.06981	4.2
166.07797	3.4
167.08617	8.3
168.09348	7.5
169.10136	33.0
170.10902	4.1
171.07951	4.0
171.11671	29.2
172.08684	2.5
173.09631	21.8
173.13278	15.9
175.11191	16.5
179.08502	12.1
180.09372	5.5
181.10112	24.3
182.10858	12.4
183.08086	3.4
183.11702	45.4
184.12122	2.7
185.09634	8.9
185.13307	14.4
186.13843	3.4
187.11197	8.7
187.14844	8.7
189.09186	2.6
189.12802	13.5
191.08505	4.2
192.09332	6.6
193.10153	15.9
193.12004	3.6
194.10922	8.4
195.08177	4.3
195.11726	29.0
196.12239	4.1
197.09592	6.9
197.13290	18.7
199.11201	42.6
199.14828	11.6
200.11435	2.7
201.12698	5.3
201.16490	3.6
203.10777	3.8
203.14337	5.3
205.10114	3.7
206.10945	9.8
207.11729	31.5
207.13695	4.4
208.12369	6.2
209.13275	51.6
210.13734	5.0
211.11214	10.0
211.14818	9.0
213.12759	9.7
213.16370	5.3
215.10664	7.6
215.14366	4.5
217.10262	2.9
217.12230	31.2
218.10817	4.0
218.12701	3.3
219.11862	6.0
220.12460	7.0
221.09679	4.6
221.13226	23.9
222.13901	4.6
223.11247	24.1
223.14763	19.1
225.12743	13.2
225.16405	4.8
227.10751	5.5
227.14250	8.2
227.17757	6.5
229.12245	2.5
229.15854	3.9
233.13255	12.7
234.14034	3.9
235.11180	7.4
235.14783	33.8
236.15565	5.0
237.12749	6.8
237.16470	16.0
239.14400	5.8
239.17914	4.6
241.12230	34.6
241.15895	4.6
241.19551	7.2
243.13802	19.3
247.11162	2.8
247.14877	7.1
249.12755	9.1
249.16389	11.4
251.14354	24.2
251.17882	12.5
253.12120	4.7
253.15883	6.9
255.13879	4.2
255.17281	3.0
257.04474	4.1
259.14810	5.7
261.12604	5.0
261.16220	3.9
263.14331	7.3
263.17938	4.0
265.15826	7.2
267.13809	5.2
267.17435	4.9
269.15393	48.6
269.18945	17.0
270.15747	2.9
271.17068	5.0
275.14307	4.6
277.15903	23.6
279.17422	7.7
281.15430	7.2
281.18958	4.6
283.17178	3.6
289.15811	5.6
291.17462	5.4
292.18350	3.5
293.15414	3.6
295.16956	21.1
295.20370	5.7
299.20285	2.8
303.17224	3.5
303.20880	3.4
309.18564	11.6
310.19266	20.5
317.18863	4.1
327.20941	3.0
331.20560	5.5
335.20120	5.0
345.22079	8.8
349.17810	3.3
349.21640	5.9
355.20554	6.3
363.23181	12.7
363.27072	4.6
367.26288	8.3
373.21542	39.9
374.21973	3.1
381.28000	9.7
391.22104	31.0
391.26407	8.6
392.22742	3.9
409.09134	2.8
409.23352	26.8
409.28149	65.8
410.27655	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03940	1.0
55.01874	0.6
55.05513	10.6
57.03421	0.9
57.07084	1.7
59.04992	1.0
65.03936	1.4
67.05505	15.2
69.03429	2.4
69.07068	13.8
69.33788	0.7
69.34189	1.7
71.04995	1.5
77.03919	0.5
79.05489	8.5
81.07056	16.4
82.07420	0.4
83.04982	12.7
83.08617	3.9
84.05318	0.5
85.06548	2.2
91.05480	11.9
93.07044	20.3
94.07362	0.7
95.04968	4.7
95.08605	36.0
95.42693	0.3
96.08935	1.0
97.02859	0.5
97.06537	2.6
97.10154	1.4
98.84759	0.3
99.04466	0.7
103.05454	0.6
105.04538	0.6
105.07028	25.9
106.07307	0.4
107.04972	1.6
107.08591	18.5
108.08902	0.4
109.06522	5.0
109.10152	11.4
109.10907	0.6
111.04436	3.5
111.07336	0.5
111.08087	6.8
112.08454	0.3
113.06022	1.4
115.05448	1.6
116.06262	0.6
117.07015	6.6
119.04904	0.4
119.08579	22.7
120.08923	0.9
121.06499	3.7
121.10142	11.2
123.08070	8.9
123.08918	0.7
123.11710	3.1
125.06009	0.9
125.09611	2.0
127.07542	0.6
128.06224	3.3
129.07001	6.5
130.07820	1.9
131.08563	17.0
132.08981	0.3
133.06531	1.6
133.10133	16.1
134.10495	0.7
135.08061	5.2
135.11696	5.3
137.05988	0.8
137.09615	1.6
137.13214	0.6
137.39105	0.3
139.07545	2.3
139.11217	0.4
141.06989	2.6
141.09106	2.7
142.07784	6.3
143.08563	18.9
144.05652	0.3
144.09332	2.1
145.06482	2.1
145.10126	22.4
146.07253	0.7
146.10587	0.8
147.08040	5.6
147.11685	10.5
148.12057	0.6
149.09631	2.0
149.13248	2.3
151.11176	2.1
153.07014	1.2
154.07765	1.2
155.08546	6.9
156.09352	5.4
157.06497	1.3
157.10123	26.4
158.07249	0.9
158.10898	2.6
159.08057	4.9
159.11694	19.0
160.08768	1.1
160.12152	1.5
161.09624	11.7
161.13252	7.6
162.10095	0.4
163.07521	0.4
163.11171	4.9
163.14890	0.4
165.06970	1.4
165.12766	0.9
166.07808	0.6
167.08578	2.3
168.09332	1.3
169.10126	10.5
170.10896	4.7
171.08063	3.4
171.11687	21.1
172.08780	1.9
172.12326	2.0
173.09624	4.1
173.13254	14.0
174.10396	1.0
174.13651	1.1
175.11197	6.2
175.14809	5.3
176.11569	0.6
177.09090	0.4
177.12775	2.1
177.16431	0.4
179.08574	2.1
179.10678	1.3
180.09404	1.4
180.10802	0.4
181.10126	4.4
181.93121	0.3
182.10905	2.0
183.08136	0.4
183.11696	10.4
184.08800	0.6
184.12436	1.9
185.09648	4.1
185.13251	19.5
186.10390	0.9
186.13780	1.4
187.11180	6.4
187.14815	14.1
188.11787	0.5
188.15329	0.9
189.12729	6.0
189.16408	2.6
190.13115	0.4
191.08691	0.4
191.10626	0.4
191.14317	0.7
192.09364	0.4
193.10176	1.7
194.10843	1.3
195.08037	0.4
195.11696	8.6
195.13528	0.5
196.08777	0.3
196.12433	2.2
197.09593	1.3
197.13249	10.1
198.10364	0.8
198.14021	2.6
199.11177	4.2
199.14821	11.4
200.11867	0.9
200.15453	1.1
201.12712	5.9
201.16399	4.9
202.13417	0.6
202.16721	0.3
203.14297	5.4
203.17972	3.5
205.10065	0.4
205.12300	0.6
206.10825	0.6
207.11694	2.8
207.13683	0.6
208.12448	1.2
208.55795	0.3
209.09669	0.6
209.13245	6.2
210.13844	1.8
211.11269	2.1
211.14792	6.8
212.11919	0.9
212.15518	1.3
213.12769	9.0
213.16316	6.6
214.13251	0.7
214.17000	0.4
215.14316	9.9
215.17920	0.8
216.15005	1.6
217.15887	1.0
219.11703	0.7
219.13908	0.5
220.12460	0.5
221.13268	2.8
222.13899	0.9
223.11244	1.4
223.14781	5.0
224.12012	0.4
224.15504	1.1
225.12912	2.4
225.16350	7.0
226.13576	1.1
226.17087	1.6
227.14365	7.0
227.17914	10.0
228.14969	0.7
228.18411	0.6
229.05064	0.5
229.15881	5.7
229.19499	0.7
230.16634	0.5
231.17416	2.5
233.13216	0.7
233.15448	0.4
234.14014	0.6
235.11317	0.4
235.14880	1.7
236.15625	1.2
237.12943	0.6
237.16414	2.3
238.13361	0.4
238.16983	0.7
239.14354	2.4
239.17953	5.6
240.14896	0.6
240.18678	1.4
241.15865	4.3
241.19528	14.5
242.19994	1.4
243.17493	1.2
243.20998	0.6
245.04414	0.4
245.15407	0.8
247.14703	0.8
247.16975	0.6
249.12692	0.5
249.16374	1.7
250.17203	0.6
251.14230	0.6
251.17947	7.8
252.15199	0.4
252.18369	0.9
253.15869	2.5
253.19496	3.1
254.16516	0.9
254.20163	0.5
255.17447	4.0
255.21210	0.8
256.17938	0.5
257.04434	4.2
258.05078	0.5
261.16461	0.6
263.17920	1.2
265.15921	1.1
265.19479	1.3
266.16409	0.3
266.20041	0.4
267.17459	4.8
267.21091	2.2
268.18063	1.1
268.21725	0.8
269.19006	24.8
270.19424	2.4
271.20624	1.5
275.17670	0.4
277.19440	1.5
279.17459	1.0
279.21118	0.8
280.18188	0.4
281.18985	2.3
281.22098	0.4
282.23392	1.3
283.16980	0.7
283.20508	0.4
285.18457	0.6
287.05530	0.4
287.19885	0.3
291.21048	0.6
292.21964	0.7
293.15784	0.5
293.19003	1.7
293.22491	0.8
295.17261	0.4
295.20526	9.1
296.21011	0.9
297.18881	0.5
297.22125	1.5
299.20087	0.8
305.19223	0.4
307.20468	1.1
307.24048	0.5
309.18542	0.4
309.22144	1.4
310.22855	0.9
311.20032	1.2
317.19180	0.7
317.22684	0.6
321.22122	0.7
321.25604	0.7
323.20096	1.0
325.21695	0.8
333.22241	0.7
335.20016	0.8
335.23785	1.3
335.27393	0.6
339.23291	0.4
341.21066	0.5
345.25784	0.9
349.21484	0.5
349.25302	1.6
351.23206	0.5
353.21161	1.0
363.23096	0.4
363.26801	5.3
364.27136	0.8
365.24588	0.6
367.26331	17.2
368.26508	2.0
373.25305	3.8
381.24136	1.3
381.27969	13.9
381.31628	0.4
382.28290	1.4
391.26306	19.7
392.26517	2.5
409.09528	1.5
409.27356	100.0
410.27689	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2737
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03940	1.7
55.01865	1.1
55.05515	10.4
58.29864	0.6
65.03924	1.7
65.17189	0.8
67.05507	15.2
69.03422	2.8
69.07064	12.6
69.13482	1.9
69.13889	3.3
71.04990	0.8
71.50291	0.6
79.05486	8.3
81.07059	16.5
83.04980	13.7
83.08598	3.6
84.05345	0.8
85.06548	1.9
91.05473	13.2
92.05787	0.6
93.07043	19.3
95.04974	5.4
95.08605	30.2
96.08921	1.3
97.06544	2.5
97.10144	1.3
99.04442	0.7
105.07030	23.1
106.07403	1.5
107.04960	2.1
107.08589	16.3
109.06522	4.7
109.10153	11.9
111.04439	3.0
111.08074	5.9
113.06019	2.0
115.05473	0.9
117.07008	5.9
119.08580	20.1
120.08963	0.8
121.06493	4.0
121.10144	11.3
123.08076	8.4
123.11725	2.7
124.08326	0.7
125.09645	2.2
128.06221	3.4
129.06999	7.1
130.07787	0.9
131.08568	14.6
132.09332	0.8
133.06500	1.3
133.10127	12.6
133.28265	0.6
135.08043	6.0
135.11688	4.3
137.05983	0.7
137.09628	1.8
137.13220	1.0
139.07593	2.0
140.88300	0.7
141.07014	2.4
141.09105	2.4
142.07774	5.5
143.08571	16.4
144.09288	2.2
145.06528	2.0
145.10127	21.5
146.07245	1.0
147.08081	4.3
147.11676	10.1
149.09605	2.7
149.13263	2.6
151.11230	2.7
153.06941	1.0
154.07799	0.8
155.08556	6.6
156.09372	5.0
157.06537	1.0
157.10133	22.6
158.10756	2.2
159.08078	4.7
159.11691	17.1
160.08746	0.8
160.12181	1.2
161.09622	11.2
161.13231	6.4
163.11160	6.2
165.07050	1.6
166.07771	0.8
167.08636	2.2
168.09329	1.7
169.10124	10.8
170.10936	3.3
171.08058	3.2
171.11679	16.5
172.08803	0.8
172.12282	1.3
173.09624	4.9
173.13246	11.7
174.13673	1.4
175.11160	5.7
175.14822	3.2
177.12790	1.4
179.08621	2.4
179.10635	0.9
180.09329	1.6
181.10078	4.5
182.10886	1.9
183.11685	10.1
184.12404	2.2
185.09651	3.4
185.13264	16.5
186.10307	1.2
186.13924	1.3
187.11180	7.2
187.14815	9.9
188.15218	1.3
189.12756	5.2
189.16411	2.1
193.10179	2.1
194.10948	1.6
195.11688	6.6
196.12428	1.6
197.09639	1.3
197.13239	7.4
198.10318	1.0
198.13974	2.4
199.11153	4.8
199.14827	8.9
200.11852	1.2
200.15315	0.9
201.12718	6.0
201.16360	4.6
203.14265	4.6
203.18019	3.2
205.12361	1.0
207.11710	2.5
208.12524	1.3
209.09737	0.8
209.13240	8.9
210.13960	1.4
211.11209	1.9
211.14783	5.8
212.15491	1.3
213.12732	7.3
213.16272	4.3
214.13460	1.1
215.10924	0.8
215.14304	9.0
216.14964	1.6
217.15875	1.0
221.13370	1.7
223.11385	0.9
223.14775	4.3
225.12726	2.2
225.16371	4.9
226.17136	2.0
227.14349	5.5
227.17892	9.0
229.15898	4.9
231.17448	2.7
233.13295	0.8
235.14845	2.1
236.15558	1.1
237.16464	2.5
239.14308	2.5
239.17865	4.3
240.18623	0.8
241.15878	4.0
241.19518	14.6
242.19926	1.5
243.17490	1.0
245.15474	1.0
249.16435	1.1
251.14493	1.2
251.17982	6.8
253.15916	3.0
253.19466	1.6
255.15018	0.7
255.17281	4.2
257.04276	1.4
261.16318	0.8
267.17514	5.1
267.21127	2.2
268.18195	1.5
269.15552	3.3
269.18982	24.2
269.22058	1.3
270.19485	2.3
271.20599	1.5
275.17993	1.0
277.16281	0.9
277.19614	1.8
279.17471	0.9
281.18982	2.4
282.23575	1.1
293.19016	1.4
295.20468	7.0
297.18604	0.8
297.22009	2.0
307.20755	1.4
311.20038	1.4
335.23605	1.1
345.22116	1.1
345.25916	1.0
349.25296	2.0
363.23019	1.0
363.26846	4.7
367.22098	1.1
367.26382	15.3
368.26648	1.6
373.25211	2.3
381.24115	1.2
381.27975	12.8
382.28156	1.3
391.22473	0.8
391.26343	20.5
391.31531	1.0
392.26782	1.9
409.27383	100.0
410.27686	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.0
55.01868	2.3
55.05510	18.6
57.03437	2.9
57.07067	7.5
59.04993	4.7
65.03943	4.3
67.05180	2.4
67.05505	30.0
69.03427	6.2
69.07065	8.2
71.04975	2.7
71.35528	1.8
79.05492	21.9
81.03418	2.7
81.07050	42.9
83.04967	7.0
83.08620	2.5
85.06550	3.3
91.05480	39.2
93.07046	54.3
95.04970	52.9
95.08606	37.4
97.06528	14.2
98.53146	2.0
101.65601	2.4
102.76837	1.9
103.05482	5.6
105.04506	2.5
105.07028	100.0
107.04952	2.5
107.08597	32.0
109.06532	14.4
109.10175	19.3
111.08086	3.9
115.05415	4.6
117.06992	14.3
119.04919	1.9
119.08577	68.1
120.08882	3.3
121.06491	22.9
121.10143	18.6
123.08070	26.7
123.11695	2.6
125.06063	3.2
128.06250	6.1
129.07037	10.0
130.07838	3.2
131.08559	26.0
133.06497	6.5
133.10126	29.6
135.08055	16.3
135.11691	6.9
137.05920	2.7
137.09621	10.9
141.06984	4.1
142.07764	16.1
143.08565	22.4
144.09277	4.6
145.06461	5.2
145.10121	44.5
147.08028	17.0
147.11679	36.2
149.09578	11.0
149.13268	2.3
151.07550	27.3
153.06982	3.7
155.08548	10.7
155.10576	2.1
156.09348	6.4
157.10139	29.2
158.10869	5.6
159.08040	5.0
159.11681	17.2
161.09583	11.1
161.13263	10.2
163.11168	8.3
165.07050	3.0
165.09117	38.8
167.08563	4.6
168.09366	7.2
169.10118	19.1
170.10835	2.4
171.11707	15.9
173.09618	8.4
173.13226	9.7
175.11188	23.7
175.14833	3.4
176.11589	2.0
177.09097	7.1
178.09779	2.6
181.10107	8.5
181.12242	3.3
182.10866	6.5
183.11713	15.9
184.12221	2.6
185.09734	3.3
185.13226	8.5
187.11136	6.7
187.14864	4.8
189.12711	11.0
189.16348	2.2
191.14278	3.3
195.11720	5.9
196.12369	2.6
197.13243	5.3
199.11156	4.7
199.14807	4.3
201.12776	12.5
201.16283	5.2
203.14310	18.1
206.10960	2.0
207.13817	8.8
209.13254	5.9
209.15274	4.2
211.14812	9.5
213.12764	4.7
213.16443	3.9
215.14301	6.4
219.13765	3.1
221.15353	69.4
222.15742	3.6
223.14821	4.1
225.16354	4.8
227.14267	3.2
229.15891	6.2
231.13866	2.3
233.15286	4.5
234.16040	12.5
235.14738	2.3
239.18057	2.7
241.15862	2.4
251.17911	2.8
253.16095	2.8
269.19040	3.7
271.17029	3.3
273.18573	2.4
286.19244	4.2
287.20078	7.7
300.20798	2.7
329.21085	7.3
391.26334	8.7
409.27307	68.7
410.27628	6.1
410.38345	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2737
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
52.76279	0.8
53.03940	1.4
55.05514	9.5
57.03440	0.9
57.07062	1.7
65.03939	1.3
66.92896	0.7
67.05508	12.6
69.03427	1.2
69.07066	10.7
71.32304	1.0
74.04262	0.8
79.05497	7.7
81.07056	12.6
82.22676	0.8
83.04993	7.6
83.08614	4.9
85.06528	2.2
91.05481	10.6
93.07048	14.3
95.04997	3.9
95.08611	25.1
96.08988	0.9
97.06543	2.0
97.10165	3.4
99.04474	0.8
99.16306	0.9
105.07033	20.1
107.04967	1.1
107.08598	17.4
109.06535	4.2
109.10155	9.8
111.04435	2.0
111.08070	5.0
113.06037	0.9
115.05434	2.2
117.07002	5.0
119.08575	18.5
120.08852	0.9
120.84781	0.8
121.06512	3.6
121.10144	8.8
123.04442	1.0
123.08070	6.6
123.11687	3.2
125.09662	2.6
128.06207	3.9
129.07011	5.8
130.07800	1.4
131.08578	14.4
133.10136	13.1
135.08057	3.6
135.11714	5.6
137.09578	2.3
137.13287	1.3
139.07510	1.6
141.07004	3.0
141.09085	2.0
141.25108	0.8
142.07750	5.2
143.08574	14.3
144.09277	1.6
145.06516	2.0
145.10126	14.8
147.08087	4.1
147.11687	7.1
149.09642	2.4
149.13283	2.0
151.11246	1.2
153.06984	1.4
154.07793	1.7
155.08560	8.9
156.09354	4.1
157.06558	1.0
157.10124	16.8
158.10768	1.2
159.08086	5.6
159.11723	12.6
160.12326	0.9
161.09621	11.4
161.13269	3.7
163.11249	4.2
163.14752	0.9
165.07022	2.0
165.12836	1.3
166.07788	1.3
167.08566	3.0
168.09346	2.4
169.10129	9.7
170.10878	3.4
171.08022	3.2
171.11684	14.2
172.08766	1.8
173.09644	6.3
173.13286	10.5
175.11230	5.4
175.14853	3.2
179.08534	2.0
179.10620	1.1
180.09279	1.1
181.10075	3.9
182.10945	1.9
183.08112	1.8
183.11710	13.5
184.08716	1.2
184.12381	1.5
185.09639	4.8
185.13257	12.2
186.10391	1.1
186.13692	1.6
187.11215	4.9
187.14801	9.1
189.12778	3.4
191.14316	1.0
193.10161	3.4
194.10866	2.0
195.08029	1.3
195.11711	7.7
196.08913	1.3
196.12378	2.3
197.09618	5.2
197.13278	10.2
198.10329	2.5
198.13919	1.7
199.11159	7.4
199.14807	7.9
200.66556	0.9
201.12816	7.2
201.16405	2.9
203.14375	2.4
203.18059	1.6
207.11716	2.4
208.12553	1.1
209.09547	1.6
209.13336	5.4
210.10489	1.5
210.13914	1.3
211.11157	10.3
211.14767	5.3
212.11829	3.9
212.15414	0.8
213.12773	9.1
213.16347	4.0
214.13268	1.1
215.14299	5.5
216.14949	1.1
217.15813	0.9
219.11673	1.4
221.13251	1.8
222.13940	0.8
223.11275	2.0
223.14792	4.3
224.15578	1.2
225.12798	5.2
225.16246	4.2
226.13495	1.4
227.14319	10.9
227.17839	6.3
228.14908	1.1
229.05063	2.1
229.15871	4.4
231.17526	1.6
233.13326	1.4
234.14172	1.6
235.14937	1.9
237.12781	2.0
237.16417	3.0
238.13464	1.5
239.14359	3.8
239.18002	3.2
240.18694	1.1
241.15912	3.5
241.19501	8.1
243.17543	1.1
245.04517	1.5
247.14795	1.4
249.16504	3.0
250.16982	1.2
251.14404	2.5
251.18050	4.9
253.15852	3.7
253.19438	1.9
255.17496	2.4
257.04498	9.3
262.00687	0.9
265.15939	4.1
266.16641	2.4
267.17435	11.6
267.20700	1.7
268.18118	1.1
269.19000	15.0
270.19403	1.9
271.20581	0.9
277.19293	1.3
278.16626	1.1
279.17584	1.7
281.19055	1.3
293.19254	3.9
293.22229	1.1
295.20581	5.3
307.20566	1.0
335.20029	1.0
335.23752	1.6
335.27347	1.2
349.25284	1.9
363.26895	6.9
364.27380	0.9
367.26334	9.0
373.25284	4.1
381.27948	7.7
391.26318	25.1
392.26743	3.3
409.09149	3.0
409.27368	100.0
410.27594	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2736
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03935	4.7
54.25178	2.0
55.01868	2.4
55.05510	22.8
57.07079	8.8
59.04991	2.3
65.03941	2.3
67.05504	23.0
69.03410	8.0
69.07065	10.5
69.53111	9.9
71.04987	1.7
79.05494	26.5
81.03393	3.2
81.07051	38.4
83.04965	6.6
83.08622	4.2
85.06532	3.6
89.06040	2.9
91.04896	2.9
91.05471	44.4
93.06464	3.8
93.07040	52.1
95.04965	49.3
95.08600	35.1
97.06520	9.9
103.05459	4.9
105.07025	100.0
106.07288	2.3
107.08593	34.8
109.06517	13.0
109.10165	9.4
111.08080	4.5
115.05435	5.6
117.07009	18.0
119.08573	63.1
121.06506	18.3
121.10143	19.2
123.04347	2.8
123.08066	21.2
123.11693	2.7
125.06020	2.1
128.06158	4.9
129.07011	8.0
130.07759	5.4
131.08565	25.9
133.06477	4.9
133.08583	2.4
133.10124	23.6
135.08035	17.3
135.11693	3.9
137.05936	3.1
137.09615	14.3
141.07002	5.6
142.07770	13.5
143.08556	20.7
144.09323	5.4
145.06488	3.7
145.10121	43.7
146.10672	2.8
147.08032	18.2
147.11687	35.6
148.11925	1.8
149.09593	11.5
151.07538	17.2
153.09038	3.8
154.07726	3.4
155.08514	7.9
156.09305	6.0
157.10115	27.7
159.08080	8.4
159.11662	18.5
160.08862	2.0
161.09598	11.4
161.13243	7.5
163.11154	5.7
165.09117	41.5
167.08543	4.0
168.09326	3.4
169.10172	13.0
170.10858	3.9
171.11650	11.3
173.09619	9.3
173.13255	7.9
174.10341	2.1
175.11198	26.9
177.09100	5.6
179.08629	3.1
179.10651	2.1
180.09238	1.9
181.10107	4.0
181.12245	2.6
183.11714	13.7
185.09650	2.8
185.13226	7.0
187.11150	7.1
187.14806	3.1
189.12662	9.2
191.10674	2.5
191.14334	2.5
193.10155	3.3
195.11710	4.8
196.12430	3.6
197.13249	5.5
199.11223	3.3
199.14891	2.5
201.12685	12.7
201.16269	2.6
203.14299	20.7
207.11781	4.6
207.13826	8.2
209.13362	3.1
209.15372	4.0
211.14798	8.5
213.12778	4.6
215.14307	4.6
219.13837	2.3
221.13445	2.5
221.15349	74.4
221.17499	4.0
222.15730	2.6
225.16324	3.1
229.04933	6.2
229.15848	4.1
231.13785	3.0
233.13252	2.5
233.15439	2.9
234.16119	17.1
235.97415	1.7
251.14326	1.8
257.04468	27.7
258.04877	3.1
267.17584	2.3
286.19229	3.2
287.05362	3.3
287.19955	7.9
300.20724	3.6
307.20190	2.1
321.23669	1.8
329.21112	6.6
337.63342	1.8
349.25589	1.8
373.25327	2.6
391.26291	9.4
392.31519	4.3
393.31973	1.9
409.09280	13.4
409.27225	49.2
410.27765	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2737
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
50.14956	0.4
53.03944	1.7
55.01862	0.4
55.05508	9.1
57.03418	0.8
57.07072	1.0
59.04996	0.6
65.03934	1.4
67.05505	13.2
69.03417	1.6
69.07066	11.0
69.10058	1.5
69.10476	2.9
71.04982	1.1
77.03933	0.6
77.49390	0.4
79.05490	7.4
80.57301	0.4
81.07060	11.8
82.07396	0.6
83.04981	10.4
83.08626	3.1
85.02855	0.5
85.06541	1.3
91.05471	10.4
93.07043	17.5
94.07377	0.8
95.04971	3.0
95.08607	27.9
96.08946	0.8
97.06521	2.1
97.10171	1.5
99.04443	0.6
103.05451	1.1
105.04524	0.5
105.07030	19.1
107.04971	0.8
107.08593	14.5
108.08903	0.8
109.06516	4.4
109.10151	10.7
111.04419	2.8
111.08092	5.3
113.06017	0.7
115.05457	1.2
117.07001	5.5
119.08585	19.8
120.08891	0.6
121.06503	3.7
121.10143	9.2
123.08069	7.3
123.11745	2.3
125.05984	0.6
125.09647	2.2
128.06221	3.6
129.06996	6.3
130.07780	1.4
131.08568	14.3
133.06499	0.9
133.10127	12.9
135.08055	4.9
135.11681	4.7
137.05975	0.6
137.09613	2.0
139.07558	1.8
141.07002	2.2
141.09084	2.4
142.07776	4.6
143.08560	16.4
144.09308	2.0
145.06462	1.5
145.10114	17.5
147.08063	4.0
147.11700	6.4
149.09660	2.1
149.13269	2.1
151.11159	1.5
153.06973	0.6
154.07852	0.7
155.08540	6.1
156.09349	4.5
157.06561	0.9
157.10123	18.8
158.07315	0.9
158.10811	2.2
159.08075	5.1
159.11684	16.2
160.08806	1.0
160.12158	0.8
161.09625	9.2
161.13246	6.1
162.13646	0.6
163.11156	4.3
165.07063	0.7
166.07864	0.7
167.08560	2.2
168.09348	1.8
169.10136	7.5
170.10881	3.1
171.08102	2.7
171.11678	16.3
172.08849	1.7
172.12259	2.2
173.09653	4.1
173.13252	11.1
174.13728	1.0
175.11195	5.2
175.14848	3.4
176.11563	0.6
177.12791	1.5
179.08630	1.4
180.09360	2.0
181.10106	3.4
182.10922	2.8
183.11690	7.8
184.12358	1.9
185.09691	3.2
185.13245	17.0
186.10356	1.1
186.13861	1.6
187.11186	5.3
187.14803	11.2
188.15207	0.9
189.12697	5.1
189.16435	1.0
193.10152	2.1
194.10886	1.8
195.11664	6.1
196.12399	1.8
197.09608	1.5
197.13237	7.6
198.10504	0.7
198.13911	2.3
199.11153	3.5
199.14809	9.3
200.11906	0.7
200.15448	0.6
201.12692	4.8
201.14275	0.5
201.14612	0.7
201.16356	4.5
203.14267	4.3
203.17940	2.7
206.10876	0.6
207.11681	2.2
207.13589	0.6
208.12546	1.2
209.09766	0.8
209.13246	6.1
210.10345	0.6
210.13817	1.1
211.11209	2.2
211.14821	5.7
212.11948	0.7
212.15485	1.5
213.12758	8.7
213.16336	4.7
214.13397	0.8
215.14330	8.7
215.17896	1.1
216.15009	1.9
217.15912	0.9
220.12422	0.7
221.13271	2.0
222.13989	0.9
223.11172	0.8
223.14775	4.0
224.11951	0.7
224.15511	0.8
225.12849	2.3
225.16350	4.6
226.17044	1.3
227.14345	5.3
227.17860	7.1
228.18555	0.7
229.15875	4.8
230.16338	0.8
231.13876	0.6
231.17336	2.5
233.13116	0.5
235.14873	1.2
236.15483	0.9
237.12733	1.1
237.16353	2.4
239.14351	2.5
239.17918	4.2
240.14732	0.6
240.18684	1.5
241.15863	4.7
241.19493	11.2
242.19928	1.2
243.17615	0.7
243.21005	0.9
247.14825	0.7
249.16420	1.7
251.14198	1.0
251.15318	0.7
251.17932	6.5
252.18405	0.7
253.15787	2.7
253.19617	2.4
254.16658	0.6
255.17400	3.2
263.14413	0.6
263.17896	1.0
265.15909	1.9
265.19257	0.7
267.17465	3.9
267.21027	1.8
268.18109	1.6
269.18997	22.4
269.22037	1.1
270.19437	2.3
271.20572	1.0
275.17847	0.7
277.15973	0.6
277.19354	0.7
279.17459	1.2
281.18976	2.2
281.22873	0.6
282.23465	0.9
285.18567	1.0
292.21967	0.7
293.19034	1.3
293.22189	0.7
293.83215	0.6
295.20499	6.5
296.20966	1.1
297.18680	0.6
297.22049	1.1
307.20682	1.3
309.22186	0.9
310.22797	1.3
311.20139	0.8
323.20001	0.8
335.20074	1.0
335.23758	1.6
349.25409	1.9
353.21024	0.7
363.23257	0.8
363.26938	4.9
365.24484	0.6
367.26315	12.4
368.26691	1.7
373.25415	3.2
381.24149	0.9
381.27945	13.2
382.28287	1.4
391.26312	19.3
392.26599	2.8
409.27350	100.0
410.27707	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27334	1.7
53.03950	6.7
55.01893	2.1
55.05516	22.1
57.07066	9.8
59.05006	4.6
61.59736	2.2
65.03934	4.4
65.62249	1.9
67.05505	20.1
69.03440	10.6
69.07083	9.0
71.05002	3.0
71.31452	2.7
79.05495	26.9
81.07060	42.5
83.04993	8.9
85.06566	4.7
91.05481	42.3
91.06009	3.0
91.38968	1.9
93.07053	50.2
94.07404	2.3
94.15881	1.9
95.04974	50.4
95.05561	3.7
95.08605	34.1
97.06538	11.8
103.05462	3.2
105.03400	2.6
105.07034	100.0
106.07344	3.4
107.04987	2.0
107.08591	30.4
109.06519	9.6
109.10169	12.5
111.08078	5.4
115.05450	4.0
117.07015	12.9
119.08580	68.0
120.08882	2.9
121.06526	20.1
121.10159	14.6
123.08078	23.1
128.06229	6.0
129.07001	11.0
130.07770	3.7
131.08594	24.4
133.06514	8.3
133.10136	23.2
134.10536	2.0
135.08063	14.1
135.11728	4.8
135.70528	1.9
137.09636	12.0
139.07581	2.1
141.06993	3.4
142.07787	12.4
143.08533	18.4
144.09320	3.8
145.06473	2.8
145.10124	35.7
146.10782	2.1
147.08049	22.3
147.11682	35.6
149.09647	9.8
151.07552	21.4
153.09166	3.3
155.08601	12.0
156.09370	6.4
157.10129	23.6
159.08087	6.9
159.11711	16.5
161.09625	10.9
161.13261	5.4
163.11230	6.2
165.09114	43.6
167.08617	4.6
168.09346	5.4
169.10210	11.3
170.10768	2.2
171.11726	11.2
173.09679	6.1
173.13295	8.7
175.11194	30.3
177.09090	4.6
181.10143	7.0
181.12341	2.3
182.10832	3.0
183.11725	14.1
184.12344	2.4
185.13261	8.3
187.11201	5.8
187.14845	3.0
189.12782	5.6
191.14244	3.9
193.10139	2.4
195.11722	4.1
196.12402	2.4
197.13245	6.2
199.11311	4.0
199.14818	4.0
201.12769	9.5
201.16402	3.1
203.14342	19.0
207.11977	2.5
207.13838	7.4
209.13373	5.2
209.15352	2.2
211.11261	2.4
211.14880	7.5
213.12842	2.4
213.16505	3.4
215.14362	3.8
219.13736	2.5
221.15366	84.4
222.15715	3.8
227.14308	3.1
229.15875	7.0
231.13771	4.1
234.16141	13.0
247.14798	2.2
251.14247	2.2
257.04483	3.9
269.19028	4.0
271.16983	3.3
286.19229	3.5
287.20053	5.5
300.20856	2.5
329.21164	8.5
391.26102	6.9
409.09457	3.2
409.27274	53.7
410.27304	9.1
413.03238	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2736
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03944	1.5
55.01871	0.4
55.05508	12.7
57.03429	1.0
57.07069	1.2
59.04974	0.4
60.47018	0.3
65.03918	0.7
67.05502	14.4
68.05840	0.6
69.03428	2.4
69.07066	9.7
69.81491	1.6
71.04981	1.1
79.05492	7.7
81.07051	13.0
83.04978	17.6
83.08613	3.3
84.05296	0.9
85.06532	2.0
91.05476	12.7
91.94984	0.3
93.07040	17.2
94.07343	0.6
95.04977	4.1
95.08603	28.0
96.08929	0.9
97.06516	3.1
97.10165	1.4
99.04416	0.8
103.05459	0.6
105.04517	0.5
105.07023	18.7
106.07371	0.6
107.04967	1.4
107.08588	15.4
108.08904	0.5
109.06510	4.7
109.09435	0.8
109.10146	9.7
111.04452	3.5
111.08074	6.8
113.06005	1.6
113.09657	0.4
115.05461	1.5
116.06229	0.6
117.07011	5.3
119.04954	0.4
119.08578	20.3
119.14763	0.3
120.08929	0.6
120.36046	0.4
121.06510	3.9
121.10137	9.2
122.10460	0.4
123.08063	7.4
123.11699	1.7
125.09587	2.2
127.07597	0.5
128.06197	2.9
129.07016	6.2
130.07826	1.9
130.70557	0.4
131.08557	14.0
132.09073	0.4
132.76326	0.3
133.06491	1.3
133.10120	14.2
135.08054	5.2
135.11684	5.2
137.06001	1.0
137.09624	1.6
139.07559	2.4
141.06958	2.3
141.09103	2.2
142.07773	4.9
143.08553	16.6
144.09421	2.0
145.06546	1.8
145.10114	18.2
146.07205	0.6
146.10532	0.8
147.08038	4.9
147.11668	8.3
147.12744	0.6
148.12012	0.5
149.09633	3.1
149.13289	2.3
151.11169	1.9
153.06920	0.7
154.07793	0.6
155.08545	6.0
156.09346	4.1
157.06483	1.2
157.10123	19.7
158.07181	0.8
158.10840	2.2
159.08054	4.4
159.11684	15.5
160.08783	0.8
160.12059	1.0
160.66435	0.5
161.09624	8.5
161.13251	4.8
162.13669	0.4
163.11182	4.6
163.14906	0.6
164.11598	0.4
165.06947	1.8
165.12761	0.5
166.07649	0.5
167.08524	2.3
168.09340	1.6
169.10107	8.1
170.10907	3.8
171.08075	2.7
171.11676	16.8
172.08813	1.6
172.12367	2.1
173.09610	5.0
173.11819	0.5
173.13237	9.0
174.10260	0.5
174.13760	1.2
175.11195	5.6
175.14803	4.0
177.12758	1.1
178.07851	0.5
179.08549	1.3
179.10684	0.8
180.09256	1.5
181.10118	3.6
182.10881	2.1
183.08087	0.8
183.11673	9.5
184.12428	1.9
185.09676	4.5
185.13252	15.5
186.10304	1.1
186.13770	1.6
187.11182	6.4
187.14795	10.4
188.11557	0.8
188.15303	0.6
189.12730	4.8
189.16338	1.8
191.14326	0.6
192.09366	0.6
193.10136	1.8
194.10968	1.9
194.12505	0.4
195.08064	0.6
195.11664	6.5
196.12344	1.6
197.09605	1.4
197.13248	9.7
198.10397	1.3
198.13921	2.1
199.11156	4.4
199.14795	9.6
200.11816	0.7
200.15401	0.9
201.12720	4.9
201.16357	3.7
202.13365	0.7
203.14297	4.4
203.17920	2.2
205.10217	0.6
205.12288	0.9
206.10854	0.6
207.11719	2.0
207.13712	0.8
208.12398	1.4
209.09738	0.5
209.13272	5.9
210.13910	1.3
211.11299	2.1
211.14815	7.3
212.11934	0.7
212.15350	1.0
213.12759	8.5
213.16304	5.1
214.13307	1.2
215.14287	7.6
215.17784	0.7
216.14914	2.3
217.15782	1.9
219.11810	0.6
220.12477	0.5
221.13260	2.1
222.14003	0.9
223.11240	0.9
223.14774	4.0
224.15543	0.7
225.12772	2.7
225.16353	4.4
226.17055	0.9
227.06946	0.5
227.14345	5.2
227.17912	6.0
228.14903	0.7
228.18329	0.8
229.15831	5.5
229.19370	0.5
231.17398	3.0
233.13232	1.0
234.13956	0.5
235.14755	1.7
236.15587	0.9
237.12695	1.0
237.16417	2.3
238.17044	0.7
239.14267	2.6
239.17924	3.9
240.14879	0.6
240.18649	1.5
241.12186	0.6
241.15895	4.5
241.19475	11.0
242.16301	0.7
242.19942	0.9
243.17455	1.4
243.21127	0.7
245.13188	0.4
245.15395	1.1
247.14784	0.7
249.16470	1.9
250.17024	0.5
251.14294	0.9
251.17955	6.5
252.15112	0.5
252.18484	1.0
253.15846	2.5
253.19351	2.1
255.17328	3.0
255.21223	0.5
256.18021	0.5
257.04376	0.9
261.16425	0.8
263.18036	0.8
265.15964	1.0
265.19495	1.1
267.17413	4.4
267.21057	2.1
268.18103	1.7
269.16019	0.7
269.18979	20.4
270.19391	2.4
271.20459	1.0
275.17920	0.7
277.16162	0.5
277.19556	1.4
279.17535	1.3
279.21167	0.6
281.19003	2.5
281.22382	0.8
282.23392	1.2
283.17545	0.4
283.20572	2.0
285.18420	0.7
289.19250	0.7
291.21014	0.4
292.21750	0.7
293.18982	1.7
293.22403	0.7
295.17307	0.4
295.20529	7.6
296.20984	0.6
297.22137	1.1
299.20142	0.8
307.20517	1.0
309.22049	1.1
310.22827	1.5
311.20044	1.3
311.23306	0.5
313.07056	1.2
317.18896	0.5
321.18686	0.4
321.22153	0.7
325.21631	0.6
327.05261	0.5
328.09415	2.8
333.21802	0.4
335.20044	0.8
335.23691	1.1
335.27466	0.6
345.25830	1.0
349.21506	0.7
349.25351	1.4
351.23099	0.4
353.21179	1.2
363.23022	0.6
363.26883	5.1
364.27130	0.9
365.24808	0.6
367.21982	0.8
367.26309	10.5
368.26648	1.1
373.25262	2.7
381.27966	11.5
382.28235	2.0
391.26297	19.4
392.26743	2.1
409.27341	100.0
410.27673	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2737
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03933	2.4
55.05509	11.0
57.07074	2.7
58.68559	1.1
65.03927	1.3
67.05177	1.3
67.05507	15.7
69.03425	2.3
69.07073	12.2
71.05010	1.7
79.05500	8.6
81.07059	17.5
83.04985	12.6
83.08611	3.8
85.06532	2.0
89.06042	1.3
91.05482	13.7
93.07043	19.5
95.04956	4.8
95.08607	34.1
97.06509	1.7
97.10181	1.9
99.04457	1.4
99.76302	1.2
105.07030	20.9
106.07394	1.6
107.04963	1.8
107.07956	1.6
107.08603	18.8
109.05834	1.4
109.06514	5.4
109.10161	13.6
111.04431	3.5
111.08066	7.6
113.06083	1.1
115.05422	1.5
116.06297	1.1
117.07018	7.3
119.08582	24.9
121.06512	4.8
121.10126	13.3
123.08077	10.2
123.11724	3.0
123.86371	1.1
125.09625	1.2
128.06204	4.7
128.86804	1.0
129.07025	6.7
130.07800	1.3
131.08556	16.5
133.06502	2.4
133.10120	17.1
135.08060	6.1
135.11691	6.1
137.06017	1.0
137.09644	3.1
139.07539	3.7
141.06996	3.4
141.09103	3.6
142.07767	5.6
143.08549	22.0
144.09386	2.1
145.06458	1.3
145.10133	20.2
147.08032	5.4
147.11670	10.1
149.09650	2.4
149.13235	2.8
151.11203	3.6
154.07733	1.4
155.08504	6.8
156.09317	4.8
157.10135	23.5
157.11435	1.6
158.07257	2.5
158.10719	2.6
159.08069	4.9
159.11687	20.0
160.12157	1.2
161.09612	12.4
161.13232	7.5
163.11229	5.7
165.06967	2.9
167.08501	2.6
168.09297	1.3
169.10149	10.1
170.10916	3.6
171.08035	2.8
171.11688	17.2
172.08812	2.0
172.12227	2.0
172.40767	1.2
173.09616	4.5
173.13274	12.5
174.10461	1.4
175.11200	6.1
175.14807	5.5
177.12814	1.6
179.08528	2.8
180.09389	2.0
181.10143	4.8
182.07440	1.2
182.10873	2.1
183.11716	11.0
184.12422	2.4
185.09633	4.6
185.13255	16.6
186.10463	1.2
186.13928	1.6
187.11165	4.3
187.14812	11.6
189.12743	7.0
189.16354	2.5
193.10141	2.7
194.10860	3.8
195.11703	10.0
197.09602	2.4
197.13266	7.7
198.14113	1.7
199.11101	5.5
199.14804	10.3
201.12767	3.4
201.16403	4.7
203.14363	3.2
203.17984	3.7
205.10219	1.2
207.11691	3.5
208.12384	2.1
209.13248	9.1
211.11194	3.3
211.14766	7.4
213.12805	7.6
213.16336	6.1
215.14310	9.6
215.17874	1.4
220.12508	1.1
221.13260	3.3
223.11282	1.8
223.14816	5.0
225.12912	2.2
225.16374	5.4
226.13354	1.7
226.17064	1.3
227.14449	6.4
227.17931	8.5
229.15881	7.2
231.17494	4.2
233.15378	1.2
235.14861	2.6
237.12729	1.5
237.16434	3.2
239.14377	2.7
239.18002	4.0
241.12280	1.4
241.15857	3.9
241.19478	12.3
243.21162	1.3
249.12851	1.6
249.16405	1.5
251.14246	1.9
251.17960	9.8
253.15891	2.5
253.19574	2.7
255.17476	2.6
257.04501	3.1
259.14566	1.2
261.16403	1.4
267.17456	5.1
267.21024	2.1
269.15829	1.9
269.18994	25.5
270.19397	2.0
271.20709	2.0
279.17502	1.8
281.19131	2.5
293.19104	2.0
295.17664	1.5
295.20511	8.4
307.20731	1.9
309.22153	2.5
311.20078	2.0
323.20041	1.3
363.26797	5.9
367.26343	13.8
368.26639	1.9
373.25229	3.8
381.23904	1.7
381.27896	11.3
391.26270	21.6
391.30884	1.8
392.26648	3.2
409.27347	100.0
410.27759	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03947	3.0
55.01865	1.0
55.05512	13.3
57.03464	0.9
57.07074	2.2
62.67242	0.8
67.05502	18.3
69.03426	2.6
69.07066	13.1
71.05003	1.8
71.21417	0.8
79.05495	11.6
81.07061	20.8
83.04982	15.7
83.08616	3.9
85.12548	1.0
88.61842	1.2
91.05477	18.2
93.07040	27.1
95.04987	7.6
95.08609	34.1
97.06538	3.9
97.10193	1.7
98.22803	5.6
103.05482	2.1
105.07027	35.2
107.05005	2.2
107.08598	24.0
107.09295	1.8
109.06518	5.5
109.10155	13.3
111.04426	5.6
111.08091	9.6
113.06013	2.5
113.09709	1.0
115.05435	2.0
117.07014	7.7
119.08580	31.7
120.08965	1.3
121.06487	7.6
121.10139	12.3
123.08071	10.8
123.11694	3.5
125.09616	2.3
128.06200	4.9
129.07013	7.3
130.07803	1.9
131.08571	19.3
132.09294	1.2
133.06461	2.1
133.10133	19.0
134.10481	1.0
135.08057	8.9
135.11691	7.0
136.11961	0.9
137.06000	1.4
137.09631	2.8
137.13309	1.0
139.07558	3.0
141.06990	4.2
141.09122	2.3
142.07790	7.2
143.08557	20.6
144.09274	3.0
145.06526	2.5
145.10118	27.9
146.10678	1.1
147.08034	7.0
147.11685	12.7
148.06998	0.9
149.09619	5.7
149.13272	3.1
151.07576	1.9
151.11166	1.6
153.07016	2.2
155.08556	9.1
156.09354	7.0
157.10126	28.7
158.10773	2.2
159.08084	8.2
159.11691	21.8
160.08894	1.2
160.12360	1.4
161.09602	10.4
161.13306	5.8
163.11180	5.3
165.06993	1.6
165.09152	3.3
165.12775	1.2
167.08592	3.4
169.10127	11.3
169.11377	1.4
170.10934	4.5
171.08026	5.4
171.11694	20.1
172.08908	2.3
172.12344	2.0
173.09644	8.1
173.13271	13.3
174.10310	1.2
175.11205	6.8
175.14824	4.7
176.71399	0.9
177.09218	1.2
178.07864	1.1
179.08575	1.6
180.09265	1.4
181.10078	5.9
182.10970	2.5
183.08157	1.5
183.11720	15.8
184.12465	2.9
185.09633	5.9
185.13261	17.9
186.10410	1.9
186.13985	2.2
187.11185	6.4
187.14822	12.2
188.11778	1.0
189.12753	9.1
189.16409	4.5
191.14320	1.8
193.10193	2.8
194.10928	2.3
195.11728	9.4
196.12477	3.2
197.09650	2.3
197.13281	10.9
198.10365	1.6
198.13942	2.7
199.11186	6.2
199.14812	9.3
200.11975	1.8
201.12712	6.3
201.16414	5.6
203.14371	4.5
203.17993	3.4
205.12263	1.1
207.11717	3.6
207.13699	1.4
208.12335	1.7
209.09666	1.4
209.13240	8.6
209.14711	0.9
210.14011	2.8
211.11229	3.7
211.14780	8.5
212.15410	2.0
213.09140	1.5
213.12779	9.3
213.16330	6.2
215.14343	10.0
215.17952	1.7
216.15031	1.9
217.15938	4.8
219.11729	1.4
220.12483	1.0
221.13248	3.2
221.15413	5.0
223.11230	1.6
223.14861	5.3
224.15355	1.6
225.12775	2.9
225.16394	6.2
227.14360	6.3
227.17955	6.8
229.15790	5.2
231.13745	1.2
231.17513	2.0
233.13324	1.5
235.14839	2.4
236.15524	1.3
237.12857	2.0
237.16290	2.3
238.16910	1.1
239.14317	3.9
239.18016	3.7
241.15878	4.9
241.19492	10.7
242.19946	1.2
243.17513	2.9
245.13249	1.0
245.15500	4.2
249.16444	1.6
251.14275	2.5
251.17993	7.5
252.18735	1.2
253.15941	3.0
253.19664	3.5
255.17505	4.2
255.20947	1.2
261.16617	1.2
263.17902	2.7
265.15924	2.1
267.17484	5.9
267.21078	3.7
268.18304	2.8
269.15866	2.2
269.18979	18.5
270.19589	2.1
271.20609	1.3
277.19339	1.3
279.17612	2.2
279.21179	2.0
281.19095	3.0
281.22614	1.1
282.23178	1.2
283.20523	9.9
285.18610	1.5
293.19098	1.7
295.20514	9.4
297.22073	2.9
309.22226	2.9
310.22839	1.5
311.20218	1.2
333.22192	1.5
335.20081	1.5
335.23685	2.3
349.25290	1.3
363.22928	2.1
363.26846	4.3
365.24252	1.6
367.26379	11.0
373.25272	4.2
380.09262	1.6
381.09860	2.0
381.27960	10.8
382.10822	1.3
382.28152	1.2
391.26376	28.5
392.26669	3.7
393.09698	5.8
394.10483	6.0
394.25043	1.3
395.11249	3.0
407.11188	5.2
408.12079	11.6
409.08096	2.1
409.13052	72.3
409.27420	100.0
410.13629	31.3
410.27832	9.8
412.11127	1.5
425.12527	2.2
426.12955	2.3
427.14435	7.0
428.14615	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
51.19133	0.7
53.03953	2.0
53.61320	0.8
55.05511	29.5
57.03447	1.1
57.07086	1.0
59.04995	0.8
65.03954	1.6
67.05503	14.2
69.03437	2.3
69.07072	11.3
79.05483	9.8
81.07056	13.8
83.04981	40.7
83.08616	3.6
84.05321	1.3
85.05405	0.7
85.06535	1.4
88.11277	1.5
91.05479	11.2
92.05788	0.7
93.07045	18.3
94.07357	0.9
95.04955	4.3
95.08605	30.4
96.08961	1.2
97.06544	2.3
97.10162	1.0
98.00500	0.6
103.05497	1.7
105.04594	0.9
105.07030	21.7
107.04972	2.2
107.08590	18.0
109.06509	4.3
109.10157	10.5
111.04475	2.9
111.08084	6.1
115.05433	1.9
117.07027	6.0
119.05012	0.8
119.08582	21.5
120.08903	0.8
121.06490	4.1
121.10140	10.5
123.08068	8.7
123.11712	2.9
125.05994	0.8
125.09631	1.7
128.06262	2.8
129.06999	6.0
130.07806	1.5
131.08565	13.0
133.06511	1.7
133.10139	13.9
135.08032	4.9
135.11700	5.2
137.09607	2.0
139.07576	2.2
141.06990	3.2
141.09122	2.7
142.07784	5.8
143.08556	16.6
144.09294	2.5
145.06453	1.5
145.10118	19.3
147.08063	3.8
147.11679	10.0
148.12018	0.8
149.09624	2.9
149.13321	1.7
151.11168	1.6
153.07014	1.7
154.07799	0.8
155.08594	6.4
156.09319	5.5
157.06541	1.2
157.10124	22.5
158.10777	2.3
159.08060	5.5
159.11684	19.9
160.08809	0.8
160.12141	1.1
161.09612	10.0
161.13284	5.5
163.11160	4.6
163.14941	1.1
165.07024	1.3
167.08583	2.8
168.09367	2.4
169.10115	9.3
170.10860	2.4
171.08072	3.1
171.11687	17.7
171.13103	1.3
172.08885	2.1
172.12286	1.8
173.09633	5.4
173.13263	12.0
175.03929	0.7
175.11174	6.1
175.14861	4.3
179.08618	2.0
179.10664	1.2
180.09328	1.3
181.10167	4.9
182.10928	2.1
183.08203	0.8
183.11682	9.3
184.12393	2.0
185.09644	4.3
185.13251	16.1
186.10405	1.4
186.13983	1.2
187.11185	6.1
187.14827	12.1
188.15244	1.0
189.12727	5.5
189.16447	1.7
191.14330	0.9
193.10167	3.1
194.10878	2.5
195.11725	7.5
196.12405	1.9
197.09587	1.5
197.13228	7.5
198.13925	2.7
199.11192	3.6
199.14838	7.5
200.15294	0.7
201.12717	3.5
201.16425	3.6
203.14337	5.0
203.18005	2.8
206.10902	1.1
207.11717	2.7
208.12439	1.2
209.09657	1.0
209.13260	7.1
210.14053	1.1
211.11226	3.0
211.14772	6.1
212.15414	1.0
213.12778	7.9
213.16336	6.1
214.13106	0.8
215.14322	7.3
216.14937	1.6
217.15919	1.3
219.11679	0.8
220.12408	0.8
221.13329	2.2
222.14053	0.8
223.11241	0.8
223.14824	4.5
225.12782	2.5
225.16397	4.6
226.17096	1.4
227.06953	1.2
227.14371	4.8
227.17923	8.2
229.15964	4.6
230.16441	0.8
231.14064	0.9
231.17435	2.1
232.12476	0.8
233.13361	0.8
234.13734	0.9
235.14896	1.6
236.15553	1.0
237.12852	1.0
237.16417	2.6
238.13536	0.9
238.16943	0.8
239.14313	2.4
239.17964	4.7
241.15842	4.5
241.19466	10.6
242.19933	2.0
249.12746	1.2
249.16466	1.3
251.14299	0.8
251.18007	7.4
252.18533	1.3
253.15935	3.3
253.19624	2.5
255.17497	2.9
257.04462	1.8
263.07156	1.3
263.18033	0.9
265.15912	1.6
265.19485	1.3
267.06464	2.1
267.17514	5.8
267.21082	2.5
268.18167	1.3
268.21661	0.8
269.15845	1.3
269.18991	21.7
270.19464	2.1
277.19479	1.5
279.17627	1.2
280.18231	1.2
281.18976	2.0
283.06104	1.1
283.20297	1.2
285.07520	1.4
292.10898	1.0
293.18961	1.4
295.20566	6.3
296.20908	0.9
297.22180	1.5
305.95456	0.8
307.13376	1.5
307.20703	1.3
309.18613	1.1
309.22049	1.6
311.20001	1.7
313.07050	8.0
325.21255	0.9
327.08731	1.0
328.09378	16.8
333.22388	0.8
335.12827	6.6
335.23615	1.6
335.27341	1.1
349.25311	1.4
351.23187	0.9
353.20938	1.4
363.12430	1.2
363.26895	6.0
364.27209	1.3
367.26291	16.9
368.26489	1.4
373.25174	2.7
377.10193	0.9
381.13577	0.8
381.24039	1.0
381.28012	13.1
382.28342	1.3
391.21768	1.4
391.26367	20.0
392.26691	2.2
409.27383	100.0
410.13498	2.4
410.27731	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.3
55.05506	10.0
57.03448	0.9
57.07071	5.5
65.03936	1.6
65.72652	0.8
67.05137	0.9
67.05505	18.0
69.07068	15.3
71.04993	1.6
71.08627	3.2
71.30064	0.9
71.30498	1.0
79.05492	9.3
79.63904	0.7
81.07057	27.8
83.04977	6.3
83.08617	8.9
85.06542	1.0
91.05470	12.2
92.05775	0.9
93.07045	22.3
95.04982	3.0
95.08605	38.8
97.06537	2.4
97.10172	3.6
99.04452	1.7
105.07027	34.6
106.07364	1.7
107.08592	25.5
109.06512	2.9
109.10155	20.3
110.10455	1.4
111.04459	2.8
111.08079	6.4
111.11726	1.9
113.06018	2.2
115.05466	1.4
117.07015	6.4
119.08575	35.7
120.08964	1.0
121.06514	1.9
121.10143	21.6
122.10515	0.9
123.08055	7.4
123.11703	23.4
125.05935	0.8
125.09653	1.1
125.13309	1.1
128.06242	3.5
129.07047	5.0
130.07829	1.6
131.08563	20.9
132.08896	1.1
133.10127	24.1
134.10519	1.4
135.08054	2.0
135.11681	9.0
137.09602	1.4
137.13266	5.1
139.07579	3.6
141.07031	2.8
141.09109	4.6
142.07785	8.1
143.08562	21.4
144.09312	3.2
145.10123	35.3
146.10571	1.4
147.08081	1.6
147.11691	23.6
148.12048	1.3
149.13240	6.3
151.07527	4.2
151.11311	0.8
151.14832	1.6
153.06940	0.7
153.09125	0.9
155.08530	5.3
156.09360	6.2
157.10127	40.2
158.10617	2.8
159.08150	1.1
159.11693	31.3
160.12100	1.9
161.09605	5.5
161.13257	18.4
163.11200	2.0
163.14862	3.1
169.10129	7.7
170.10895	5.3
171.11699	29.2
172.12280	2.7
173.09602	1.4
173.13252	16.4
174.13687	1.4
175.11299	2.2
175.14821	7.4
177.12724	1.1
177.16345	1.7
179.10713	2.4
181.10110	1.9
182.10883	1.3
183.11722	6.3
184.12457	2.3
185.09659	1.6
185.13249	20.2
185.14777	1.4
186.13855	1.7
187.11186	1.4
187.14810	11.3
188.15280	1.0
189.12799	1.8
189.16399	9.7
191.10703	1.1
193.10130	1.1
194.71014	0.8
195.11707	1.6
197.13234	5.7
198.13953	2.3
199.11174	1.8
199.14825	15.4
200.15428	1.6
201.12761	1.1
201.16383	8.1
203.17943	4.2
205.12270	1.7
206.93069	0.8
207.11772	0.9
209.13313	2.8
210.33409	0.8
211.14806	6.1
212.15422	2.1
213.12877	1.4
213.16370	27.1
214.16833	2.3
215.14381	1.8
215.17953	8.2
217.19635	1.0
223.14828	1.4
225.12772	0.8
225.16423	4.7
226.17143	2.5
227.17931	10.6
229.19531	6.3
231.21133	4.1
237.16446	1.6
239.18024	3.3
241.15851	1.2
241.19505	10.8
247.17006	1.2
249.16362	0.9
251.17934	1.7
253.19545	2.7
255.21077	5.8
257.04532	2.0
259.16974	0.8
265.19620	1.1
267.21066	3.2
268.22089	1.5
269.22641	40.1
270.23108	3.7
271.24213	2.9
281.22559	1.1
283.16971	1.0
285.18884	1.0
287.20090	3.6
295.24158	1.8
299.20059	1.8
309.25854	0.8
310.26599	3.7
311.20181	1.5
313.21539	1.0
325.21704	1.3
335.27499	0.9
339.23380	1.8
353.24701	6.8
363.30576	1.3
367.26443	1.4
381.27881	1.4
391.30127	2.1
409.31036	100.0
410.26822	1.1
410.31497	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45794	1.1
53.03939	5.7
54.15410	1.1
55.01871	14.9
55.05511	15.0
57.03440	6.3
57.07080	16.1
67.05499	3.5
69.07069	29.7
69.37775	6.7
69.38179	1.8
71.08635	8.6
79.05494	1.6
81.03425	13.7
81.07047	5.4
83.08617	20.8
85.10183	6.2
93.07050	1.9
95.08605	6.7
97.02881	1.3
97.10172	11.6
98.23416	1.2
99.04422	1.4
105.07038	1.4
106.47772	1.1
107.08577	2.0
109.02116	2.0
109.02879	40.3
109.10175	6.1
111.11729	6.3
115.03912	12.2
123.04449	2.6
123.08123	1.7
123.11735	2.6
125.13262	3.3
127.03919	100.0
128.04274	3.5
133.79073	0.9
141.05418	6.5
149.09663	1.3
155.07004	2.8
165.12692	1.0
165.98282	1.0
169.08621	5.4
183.10168	16.5
187.24001	1.1
195.10211	4.2
197.11699	6.1
209.11794	3.9
211.13371	4.8
223.13330	2.6
225.14838	4.2
237.14838	3.9
239.16428	5.8
251.16420	4.3
253.17996	10.0
265.17889	5.5
267.19528	3.6
277.29047	1.0
279.19537	4.6
281.21094	2.7
293.21155	1.7
295.22458	1.6
307.22504	2.2
309.24225	4.2
310.38608	1.2
321.24286	1.8
335.25989	1.8
391.32059	24.0
392.32379	3.8
409.33170	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33884	0.2
53.03950	1.9
55.05510	72.3
56.05851	1.5
67.05513	0.5
69.07076	0.4
69.25113	1.6
79.05507	0.3
81.07042	0.5
83.04980	100.0
84.05312	2.3
91.05486	0.4
93.07057	0.6
95.08599	0.9
96.08990	0.3
98.23352	0.4
99.52805	0.2
103.05592	0.2
105.07034	0.6
105.65203	0.2
107.08570	0.6
108.08953	0.3
109.10126	0.4
111.08086	0.2
117.07030	0.2
119.08615	0.6
121.06490	0.3
121.10123	0.3
123.08075	0.3
129.06993	0.2
131.08588	0.4
133.10114	0.3
135.11691	0.2
143.08585	0.7
145.10165	0.6
145.14258	0.2
147.11729	0.2
153.06993	0.2
155.08565	0.4
157.10121	0.7
158.10480	0.2
159.11647	0.3
160.12022	0.3
165.06880	0.2
169.06470	0.2
169.10109	0.4
171.08061	0.3
171.11626	0.3
172.12067	0.3
173.09521	0.2
175.11061	0.2
181.06461	0.3
183.08017	0.3
183.11607	0.3
184.05273	0.3
185.13268	0.3
186.13551	0.3
187.07715	0.2
187.14799	0.3
197.06018	0.4
199.07541	2.1
201.09140	0.5
209.06007	0.6
209.13240	0.2
211.07561	0.4
212.04723	0.4
213.05440	0.5
213.09053	0.2
214.06195	1.2
215.06996	0.7
222.13696	0.3
223.14723	0.2
224.15257	0.3
225.05502	0.5
226.06134	0.5
227.06998	3.0
228.07388	0.3
229.08664	0.5
237.05513	0.3
239.07034	1.2
240.04166	0.4
241.04918	0.4
242.05728	4.4
243.06300	0.3
253.04974	0.8
254.05838	0.3
255.06567	1.2
257.08096	2.1
266.05820	0.2
267.06506	6.4
268.03674	0.7
268.06937	0.3
269.04346	0.3
269.07947	0.5
270.05200	5.2
271.05750	1.0
281.04483	0.8
282.05078	0.3
283.05978	4.4
284.06421	0.5
285.07538	5.4
286.07947	0.4
295.05991	0.7
297.07593	0.7
298.04660	0.7
298.08157	0.2
299.05487	1.3
299.08752	0.2
313.07037	39.1
314.07373	3.0
321.11002	0.2
323.09207	0.4
327.08630	0.4
328.09387	75.4
329.09760	6.8
355.08121	0.8
366.24844	0.3
378.10474	0.3
379.11911	0.2
392.22668	0.3
392.26987	0.4
395.11160	0.4
409.27304	0.2
410.13449	9.2
410.22760	0.5
410.27887	1.8
411.14212	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89549	3.6
55.05516	6.1
57.03424	4.3
57.07079	7.7
57.94868	4.1
66.07480	3.6
67.05516	4.4
69.03421	4.3
69.07048	5.4
71.08617	6.0
71.31430	7.4
71.83723	3.7
77.66276	3.8
79.05472	12.8
85.10194	9.8
90.22053	4.4
93.07045	13.0
95.08602	8.2
97.06523	6.7
99.08084	7.7
105.06993	4.3
107.08576	7.4
109.10091	4.3
111.04431	7.3
113.09620	15.1
123.04397	4.9
127.03848	4.0
129.05501	10.4
131.08566	4.9
133.10155	5.5
135.11668	16.5
149.13226	7.0
153.12741	42.4
176.11424	5.7
195.13786	28.4
213.12813	8.0
213.14839	100.0
230.05089	6.0
252.25357	4.2
257.04413	11.7
258.04855	16.5
262.69470	4.5
285.96436	4.7
410.09689	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69815	1.2
55.05513	2.8
57.03440	2.6
61.02929	1.4
62.82979	1.4
62.92407	1.2
66.26710	1.7
67.05496	2.5
69.03424	3.3
69.07077	4.7
79.05496	2.7
81.03446	1.4
81.07047	12.7
81.07848	1.5
83.04934	1.7
83.08624	4.2
83.83906	1.2
85.02887	8.6
91.05489	1.6
93.07059	6.1
93.67868	1.3
95.08610	12.8
97.02892	4.2
105.07019	2.0
107.08585	13.6
109.02889	2.1
109.10162	5.0
121.10135	19.0
123.04374	1.7
123.08067	2.0
123.11695	18.2
123.12529	1.5
127.03918	2.9
135.11711	5.5
137.05904	1.5
137.13289	2.5
145.04929	3.3
145.20874	1.3
149.13307	1.8
168.56433	1.7
177.16377	47.6
178.16753	2.0
195.17455	11.3
213.18541	6.2
249.11061	2.0
257.04373	1.9
258.04834	3.5
259.05798	2.3
301.32980	1.4
308.34265	1.5
332.09595	1.5
410.09753	1.6
410.18591	27.9
411.20016	100.0
420.95004	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.9
57.03437	1.9
59.88176	1.7
67.05489	3.0
69.03403	3.7
69.07060	3.2
71.30638	2.2
79.05491	2.3
81.07040	5.6
83.08577	1.6
85.02902	14.6
93.07053	4.3
95.08585	7.1
97.02879	3.7
107.08578	8.2
109.10120	3.1
121.10131	13.8
123.04404	2.8
123.11716	20.5
127.03855	2.7
135.11700	3.5
137.05946	3.7
137.13237	2.0
139.03888	2.9
145.04912	3.1
147.44312	1.7
163.03944	1.9
165.05469	1.4
177.16403	30.9
177.17874	1.5
178.16714	2.1
189.05215	2.2
189.08946	2.6
195.17419	10.0
197.28163	1.7
213.18410	6.5
230.05357	2.3
247.09206	5.5
247.85544	1.5
248.09641	7.1
257.04504	1.8
258.04773	6.6
259.05756	2.2
284.06253	1.8
287.05475	1.9
288.05850	2.6
294.74649	1.6
312.08423	1.6
410.09546	8.8
410.14792	100.0
411.15396	9.6
411.19986	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	4.8
57.07076	38.5
67.05484	2.5
69.07063	4.2
70.33961	2.9
70.34278	1.6
71.08627	22.9
73.06544	4.4
79.05499	1.7
81.07046	4.3
83.04977	2.0
83.08613	2.4
85.10187	20.5
87.04459	1.7
87.50441	1.2
89.06032	100.0
89.86568	1.2
90.06355	2.5
91.05493	4.2
93.07051	3.0
95.04942	3.9
95.08604	2.8
95.16038	1.2
96.05331	1.5
97.10158	3.3
99.11722	4.1
105.07012	6.4
106.07332	2.9
107.07057	2.8
107.08585	3.6
113.13280	1.4
113.42571	1.3
119.08574	4.4
121.10132	1.4
130.08647	1.5
131.08563	1.7
133.08606	53.6
133.10168	3.5
134.08928	2.4
143.08533	1.6
145.10097	3.9
146.10419	2.3
147.11652	2.3
149.09641	1.7
151.07555	1.9
151.09630	2.8
155.17915	3.9
157.10106	1.7
161.09499	1.2
165.09099	2.3
166.09476	2.2
170.10547	1.3
175.11220	2.0
177.11209	11.0
195.12279	5.5
199.20520	2.4
213.73334	1.2
221.11757	1.6
222.15723	3.8
224.42056	1.4
239.14893	29.2
243.23177	3.6
257.04425	2.1
258.04770	5.6
288.05841	1.4
349.29172	2.0
393.32080	18.2
410.09412	3.0
410.27618	5.2
411.29144	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85396	0.4
54.87540	0.4
56.85180	0.4
69.03432	0.9
71.30595	0.6
72.36096	0.4
73.77081	0.4
81.03434	0.5
85.02895	1.2
91.05505	0.8
95.04968	0.5
107.04971	0.5
111.04473	0.5
123.04416	6.0
124.04722	0.6
127.03919	0.7
135.04430	1.1
137.02370	0.4
137.06009	0.4
139.03920	3.6
147.04430	0.9
149.05963	0.5
151.03903	0.8
153.09268	0.6
161.06004	1.6
163.00484	0.5
163.03914	4.6
163.08716	0.6
166.87753	0.5
185.05978	0.6
187.03831	0.7
207.02972	1.0
207.06555	1.2
213.05569	0.6
247.05978	0.7
259.06070	4.3
271.05786	0.7
273.07590	5.3
327.08667	0.7
411.12598	100.0
412.12888	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85396	0.4
54.87540	0.4
56.85180	0.4
69.03432	0.9
71.30595	0.6
72.36096	0.4
73.77081	0.4
81.03434	0.5
85.02895	1.2
91.05505	0.8
95.04968	0.5
107.04971	0.5
111.04473	0.5
123.04416	6.0
124.04722	0.6
127.03919	0.7
135.04430	1.1
137.02370	0.4
137.06009	0.4
139.03920	3.6
147.04430	0.9
149.05963	0.5
151.03903	0.8
153.09268	0.6
161.06004	1.6
163.00484	0.5
163.03914	4.6
163.08716	0.6
166.87753	0.5
185.05978	0.6
187.03831	0.7
207.02972	1.0
207.06555	1.2
213.05569	0.6
247.05978	0.7
259.06070	4.3
271.05786	0.7
273.07590	5.3
327.08667	0.7
411.12598	100.0
412.12888	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32469	0.3
76.63018	0.2
78.76543	0.3
81.46467	0.3
100.11227	0.4
111.04432	0.3
116.19120	0.2
123.04408	0.3
185.04219	1.5
241.12828	0.4
249.10980	100.0
250.11325	4.8
411.16220	41.4
412.16595	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62436	0.3
52.25534	0.3
56.03633	0.3
59.91260	0.3
62.11107	0.3
62.96423	0.3
63.26979	0.3
68.08282	0.3
69.03180	2.4
69.07047	0.3
70.80230	0.3
95.94419	0.3
100.11260	0.4
114.70898	0.3
185.04173	1.1
187.03778	0.3
249.10974	100.0
250.11276	5.0
285.12073	0.4
411.16214	34.8
412.16635	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74420	0.8
56.96557	6.3
57.03437	2.7
60.53931	1.0
61.02924	3.3
61.25125	0.9
69.03433	8.9
70.38230	3.0
71.04971	1.4
72.04514	15.4
73.02928	2.2
79.05477	1.3
80.42515	0.9
81.03410	5.4
82.03723	1.6
85.02905	15.7
87.04465	1.4
97.02892	6.7
105.07027	22.9
106.07371	1.5
109.02877	2.1
114.05498	1.0
115.05450	2.8
117.05759	2.1
117.07012	0.9
118.05023	20.1
118.06533	17.1
122.09665	9.6
122.10472	1.3
123.04491	1.5
127.03930	3.0
129.05501	8.0
129.85284	0.8
130.06528	1.5
132.08086	78.2
133.08453	2.2
135.04402	1.3
142.06509	1.3
143.00203	2.7
143.07335	1.4
144.08066	13.9
145.04942	2.1
146.06001	61.0
147.04399	1.8
147.06361	2.0
156.08047	1.1
158.08496	1.3
160.07639	1.9
161.01215	2.2
166.07253	2.2
170.06042	4.3
180.97893	1.7
188.07059	92.7
189.00618	1.0
189.07445	4.2
203.11765	5.0
209.05850	0.8
218.99585	1.3
232.66473	0.9
236.97025	1.6
237.00732	6.7
248.19148	1.0
249.12337	100.0
250.12651	4.9
253.98712	0.9
254.97948	7.0
255.01662	8.2
258.11435	1.2
259.06076	1.5
273.02847	8.3
275.21744	0.8
276.12289	2.1
278.98117	1.5
294.13486	1.1
304.99704	1.6
323.04453	1.1
349.17371	1.0
411.10852	3.6
411.17609	8.9
429.07043	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.4
57.07112	0.7
67.05500	0.9
69.07059	1.5
79.05486	1.4
79.15945	0.8
81.07059	2.0
83.04970	2.6
91.05493	0.8
93.07022	1.4
95.08608	2.0
96.08984	0.8
99.05215	0.6
105.07018	2.1
106.07385	0.8
107.08598	1.9
109.06540	0.8
109.10146	1.1
111.95883	0.6
119.08591	1.2
121.10148	0.9
123.08070	1.0
131.22324	0.7
145.10123	0.9
146.10551	0.9
157.10123	1.0
158.10422	0.8
158.45828	0.7
159.11662	0.8
162.09988	0.9
169.10146	0.7
171.11688	0.8
277.21497	1.0
289.02905	0.7
319.22699	2.4
365.13840	0.8
393.27301	2.1
411.17786	100.0
411.27982	8.5
412.18152	9.6
412.34027	1.9
429.18674	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48561	1.5
71.31951	2.6
72.03780	1.9
81.07056	2.5
93.07025	1.8
95.02321	1.6
105.06966	1.9
107.08598	2.1
109.10151	2.3
121.10121	1.9
136.10634	1.9
151.07553	1.9
165.08957	2.9
229.08435	2.2
252.87781	2.0
253.04784	5.1
268.07086	38.7
268.09760	3.5
269.07776	9.6
298.01334	1.8
298.15637	2.7
380.15814	18.9
381.16721	14.1
411.17834	100.0
412.18210	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48561	1.5
71.31951	2.6
72.03780	1.9
81.07056	2.5
93.07025	1.8
95.02321	1.6
105.06966	1.9
107.08598	2.1
109.10151	2.3
121.10121	1.9
136.10634	1.9
151.07553	1.9
165.08957	2.9
229.08435	2.2
252.87781	2.0
253.04784	5.1
268.07086	38.7
268.09760	3.5
269.07776	9.6
298.01334	1.8
298.15637	2.7
380.15814	18.9
381.16721	14.1
411.17834	100.0
412.18210	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1915
Annotation	Streptophenazine C
Peak:m/z	Relative Intensity
50.68241	1.5
51.08204	1.5
51.94120	1.6
64.68723	1.5
69.03444	5.3
71.04993	5.5
71.31496	1.8
79.05515	4.1
81.03431	2.0
91.05490	11.1
93.07056	6.7
93.81393	1.4
95.08617	2.2
99.04464	16.3
105.07037	40.3
107.04987	1.8
107.08621	2.5
108.32402	1.5
109.06529	2.8
111.04456	1.9
117.07071	3.7
119.08587	42.1
121.06509	8.1
123.04456	1.7
123.31613	1.5
128.06252	6.0
129.06993	2.9
131.08604	3.4
133.06544	3.5
133.10130	46.0
143.08611	9.3
145.06563	2.9
146.06180	2.5
146.07271	11.6
147.08066	42.3
148.08401	2.2
159.08026	2.0
159.09216	6.0
161.09630	100.0
162.09990	3.8
163.11211	3.8
171.08055	3.2
174.06778	3.8
179.10638	5.1
188.07133	2.2
189.09120	18.0
207.10193	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01880	9.2
55.05518	2.5
56.72775	1.7
57.03436	23.5
57.36784	1.3
59.04983	1.9
61.02927	14.9
67.93232	1.7
68.99808	1.8
69.03433	28.5
70.13243	1.6
70.13581	4.3
71.01360	3.2
71.04992	3.4
72.35325	1.4
73.02923	80.7
79.05536	2.3
81.03416	7.0
83.04990	2.8
85.02908	100.0
86.03188	1.9
87.04458	5.8
90.10841	1.4
91.03947	7.2
91.05497	3.0
93.06998	1.6
95.04963	1.4
97.02894	52.9
98.03215	2.4
99.04459	2.2
103.03936	2.8
107.04972	2.3
109.02866	10.3
115.03938	27.2
115.05484	2.8
117.03347	1.9
119.04984	2.1
121.06515	1.6
123.04418	14.6
124.07591	10.2
127.03919	25.2
132.06613	3.3
133.04971	22.4
142.08653	4.2
143.04881	1.7
145.02885	4.1
145.04961	54.3
147.04367	3.8
150.07631	6.6
161.06012	6.7
163.03960	12.8
163.06020	22.9
163.07370	2.3
177.05487	6.3
179.06998	2.2
185.06030	2.3
187.03889	2.0
192.30267	1.7
207.06593	3.5
213.05473	4.4
217.04933	3.7
223.05998	4.7
232.11810	36.7
233.11877	1.8
241.04842	3.7
241.07115	4.1
247.06044	1.8
249.07455	2.0
253.24702	1.7
259.06067	19.3
259.08490	3.0
260.06473	2.3
262.12857	2.5
279.15591	2.8
394.17206	9.0
411.05029	2.6
411.11456	24.9
411.20148	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33696	0.4
55.01858	0.8
57.03424	0.9
58.39508	0.4
67.05486	0.4
69.03419	1.5
69.68988	2.3
73.02914	1.9
81.03429	0.8
81.07050	0.5
83.04174	0.4
83.08623	0.5
85.02909	3.7
93.07011	0.9
97.02876	1.6
98.22675	0.5
99.04450	0.5
105.07043	0.6
109.02878	0.6
115.03974	1.1
127.03901	1.2
133.04980	1.0
142.00606	0.4
145.04955	1.2
147.11661	0.4
161.07475	0.4
161.59735	0.4
163.06044	0.7
189.95782	0.4
203.05246	0.5
231.13783	0.6
249.10941	0.7
249.14752	1.5
275.81644	0.4
311.59897	0.4
375.48996	0.4
411.19867	100.0
412.20175	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
55.05506	0.3
57.03420	0.4
60.30065	0.3
61.02927	0.5
69.03419	1.2
69.07045	0.3
69.96143	0.8
71.04993	1.3
72.48113	0.2
73.02920	1.3
81.07051	0.7
84.76852	0.3
85.02898	4.4
85.06582	0.3
91.05479	0.4
95.04961	0.3
95.08591	0.4
97.02863	1.3
101.40183	0.3
105.06973	0.2
109.02850	0.3
115.03916	0.5
119.08603	0.4
126.09148	0.7
127.03910	0.7
129.05472	0.6
129.06998	0.4
133.04977	0.6
137.41533	0.3
145.04959	0.9
147.06566	0.4
147.09171	0.9
150.20383	0.3
157.84914	0.3
161.09531	0.3
163.06084	0.4
185.13371	0.3
191.08139	0.8
192.03989	0.4
203.05214	0.3
213.18509	0.4
231.13676	0.4
249.11174	2.0
249.14740	0.7
252.06192	0.4
280.05481	0.3
305.12479	0.3
324.37122	0.3
325.13910	0.7
347.13458	0.5
411.19904	100.0
412.20236	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1989
Annotation	Flumethasone
Peak:m/z	Relative Intensity
51.70857	0.3
55.76075	0.3
69.42623	1.4
69.43045	0.5
123.04449	1.0
126.28532	0.3
137.05835	0.3
161.05986	0.4
163.03926	0.5
196.18935	0.3
202.05937	0.3
202.80392	0.3
203.28668	0.3
204.06520	0.3
248.10362	0.4
249.11021	0.5
259.06003	0.6
320.98459	0.3
377.86880	0.3
411.19943	100.0
412.20303	10.3
425.13885	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1991
Annotation	Flumethasone
Peak:m/z	Relative Intensity
57.03421	0.4
69.03416	1.1
71.14962	0.5
71.15304	0.4
85.02903	0.5
91.05449	0.5
107.08637	0.6
108.45424	0.3
109.02859	0.4
123.04443	1.0
135.07990	0.4
137.02303	0.4
139.03911	0.5
149.65779	0.3
157.10066	0.4
163.03894	0.7
173.09535	0.4
184.07385	0.6
185.06131	0.5
189.09122	0.4
203.05222	2.3
231.13597	1.8
249.14766	1.0
259.05951	0.5
337.50784	0.4
353.15720	6.2
354.15820	0.4
393.18683	0.5
411.19885	100.0
412.14926	0.6
412.20227	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1988
Annotation	Flumethasone
Peak:m/z	Relative Intensity
69.04668	0.2
69.04971	2.3
69.54108	0.2
75.76816	0.2
107.95370	0.2
125.09615	0.6
131.08543	0.2
138.46869	0.2
139.85759	0.2
149.95883	0.2
163.97733	0.3
165.59843	0.3
202.03410	0.2
203.05292	0.6
203.14166	0.3
221.86215	0.3
249.14734	1.4
333.05536	0.2
411.19867	100.0
412.20200	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
55.05497	0.4
57.03428	0.2
67.05511	0.3
71.30688	0.3
79.05479	0.6
81.03390	0.5
81.07046	0.4
85.02886	0.3
87.56174	0.2
91.05492	0.4
95.04967	0.7
95.08631	0.4
99.04471	0.2
100.11294	0.2
105.07037	0.6
109.10144	0.2
119.04945	0.2
119.08579	0.5
120.02715	0.2
121.10211	0.3
123.04430	0.3
133.76834	0.2
135.11655	0.2
137.05986	0.2
147.04413	0.4
175.14767	0.2
182.15533	0.3
203.14328	0.3
210.14825	0.4
230.05505	0.2
236.82733	0.2
249.10994	1.8
249.14690	1.8
257.04407	0.5
258.04874	1.0
259.05051	1.4
268.21338	0.2
273.14923	0.3
275.77576	0.2
286.13330	0.3
301.14420	0.3
319.04031	0.2
331.74530	0.4
359.88934	0.2
381.16040	0.2
411.19876	100.0
412.20218	9.2
434.06598	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1989
Annotation	Flumethasone
Peak:m/z	Relative Intensity
55.40256	0.2
59.46800	0.2
69.03428	0.4
69.33622	1.1
69.34050	0.7
77.51766	0.2
81.07070	0.3
98.22687	0.5
107.08591	0.4
119.08581	0.4
185.09546	0.3
203.05309	0.8
231.13670	0.8
242.87376	0.3
249.11034	0.4
249.14673	0.9
390.13065	0.3
411.19867	100.0
412.14859	0.5
412.20200	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2527
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
50.53192	0.7
53.03942	1.2
55.01866	1.4
55.05510	10.7
55.82077	0.8
56.52631	0.7
57.03428	1.7
57.07069	0.8
58.95851	0.7
65.03954	1.0
67.05508	11.8
69.03418	2.1
69.07067	3.8
71.04987	2.4
75.23804	0.8
79.05479	8.6
81.07063	10.1
83.04980	27.2
83.08611	1.7
84.05325	0.7
85.06504	0.9
91.05474	11.6
93.07040	22.2
94.07420	1.0
95.04961	3.5
95.08605	27.1
96.08961	0.7
97.06511	2.4
97.10191	1.3
98.22562	2.1
99.04427	0.9
105.07030	19.3
107.04961	1.0
107.08598	13.6
107.40229	0.8
109.06519	3.4
109.10145	8.5
111.04433	13.2
111.08080	8.7
113.06024	1.7
115.05392	1.2
117.07003	7.0
119.08582	19.9
120.08872	1.0
121.06512	4.6
121.10157	6.1
123.08089	4.8
123.11705	1.7
125.05972	1.4
125.09618	0.8
128.06218	3.2
129.07022	7.7
130.07761	1.1
131.08571	12.2
132.09312	0.7
133.06454	1.4
133.10127	12.2
135.08026	2.5
135.11699	3.0
137.09647	1.3
137.79807	0.8
139.07539	7.0
141.06975	4.3
141.09113	1.6
142.07771	8.4
143.08559	16.2
144.09296	2.3
145.06471	1.7
145.10126	18.5
146.10686	0.8
147.08080	4.9
147.11682	8.0
149.09634	2.3
151.07597	1.0
153.07024	1.5
154.07767	1.0
155.08554	13.7
156.09326	5.2
157.10126	47.3
158.10638	2.8
159.08057	2.4
159.11694	27.3
160.08859	1.3
160.11995	1.3
161.02882	0.9
161.09631	4.0
161.13234	5.2
163.11189	2.8
165.07001	2.2
166.07831	0.9
167.08580	3.4
168.09358	3.5
169.10120	16.7
170.10783	3.0
171.08018	1.1
171.11694	22.0
172.12389	1.5
173.09645	2.1
173.13277	5.7
175.11160	6.0
179.08533	3.9
180.09311	1.6
181.10112	11.3
182.10867	3.6
183.11676	23.9
184.12289	3.0
185.09616	3.0
185.13248	13.4
186.13841	1.2
187.11198	5.8
187.14859	1.3
189.12740	8.5
191.10648	2.9
192.09348	1.5
193.10136	5.1
193.12126	1.6
194.10904	3.0
195.11688	11.9
196.12393	2.7
197.09662	2.6
197.13258	19.3
198.13748	1.6
199.11168	6.9
199.14809	6.6
201.12752	3.6
203.10594	1.0
205.10179	2.0
205.12263	8.5
206.10812	1.8
207.11690	8.1
207.13803	9.9
208.12387	2.3
209.13254	15.0
210.13960	3.4
211.11371	1.7
211.14813	15.2
212.15376	2.3
213.12741	4.1
213.16335	2.5
215.10710	3.0
217.12225	12.7
219.11681	1.8
219.13782	16.7
220.12419	2.3
220.14294	1.0
221.13240	6.4
222.13901	1.3
223.11288	1.1
223.14790	9.7
224.15625	3.4
225.12762	5.2
225.16379	6.6
227.14293	5.1
229.12267	1.6
231.11708	1.5
231.13840	3.4
233.13213	3.4
233.15427	2.6
234.14059	1.0
235.11247	1.2
235.14813	12.8
236.15489	1.6
237.12730	2.4
237.16341	12.3
237.18515	1.2
238.16882	1.6
239.14241	3.6
239.17940	17.1
240.18423	2.4
241.19576	2.3
243.13814	2.5
245.15361	6.2
247.14807	1.6
248.15605	1.1
249.16382	4.3
250.17068	1.1
251.14270	3.6
251.17934	5.1
252.18690	7.7
253.15880	6.7
253.19496	6.6
254.16145	1.1
255.13841	1.6
255.17436	1.8
257.15445	2.8
261.16455	5.2
263.14310	1.4
263.17892	2.1
265.15872	3.5
265.19321	2.3
267.17300	1.4
267.20862	0.9
269.15457	1.9
271.16937	11.3
272.17621	3.3
273.18652	1.1
275.17984	1.3
276.18552	1.6
277.15866	1.5
277.19409	2.2
279.17447	7.3
280.17886	1.1
281.15778	0.8
281.18982	2.8
282.15955	0.9
282.19434	0.9
283.16904	4.1
284.17664	1.0
285.18546	1.8
291.17297	0.9
293.18909	2.3
294.19751	3.0
295.17081	1.0
297.18524	11.2
298.18823	1.2
299.20059	2.7
301.21701	1.6
311.20120	3.3
312.20801	30.7
313.21274	3.5
319.20483	1.9
323.19818	0.9
329.22662	2.2
331.20422	1.0
333.22159	1.5
337.21683	1.1
339.20786	1.1
347.23657	4.1
349.21545	2.0
351.23172	100.0
352.23575	11.7
357.22174	6.0
358.22778	1.1
365.20663	1.8
365.24734	8.6
375.23172	24.1
376.23441	2.3
393.24188	29.3
394.24561	3.0
411.25253	70.6
412.25583	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17167	1.4
53.03933	2.6
55.01862	3.0
55.05507	14.2
57.03421	2.7
57.07045	1.9
63.74025	1.4
65.03933	2.4
67.05503	23.4
69.03413	2.0
69.07064	10.1
71.04985	4.4
71.30395	2.8
79.05495	13.6
80.26331	1.3
81.07050	26.3
83.04990	15.0
83.08617	3.5
85.06528	2.2
90.33469	1.4
91.05482	21.1
93.07040	34.1
94.07371	2.0
95.04969	10.8
95.08605	52.0
96.08908	2.9
97.06508	4.9
97.10173	3.5
101.05993	1.7
103.05466	1.9
105.07024	34.8
105.07674	3.0
106.07323	2.2
107.08588	25.1
109.06506	9.3
109.10152	17.3
110.03126	1.5
111.04436	6.0
111.08065	11.4
113.05969	2.9
113.53006	1.4
115.05417	2.0
117.07039	11.7
119.08578	30.9
120.08965	2.0
121.06498	7.3
121.10126	14.1
122.10453	1.7
123.08057	14.0
123.11705	3.5
125.08500	1.4
125.09579	8.5
128.06206	6.1
129.07018	12.4
130.07777	1.5
131.08556	22.7
133.06454	3.4
133.10120	13.1
135.08051	4.1
135.11688	7.7
137.09572	2.3
137.13316	2.6
139.07553	1.8
141.06998	9.3
141.09068	4.0
142.07776	15.4
143.08569	32.5
144.09274	1.8
145.06468	4.5
145.10109	27.6
147.08044	4.0
147.11694	6.0
149.09595	5.1
149.13240	4.1
153.06950	2.4
154.07738	5.3
155.08543	58.4
156.09348	9.4
157.10120	70.3
158.10493	4.4
159.08049	6.1
159.11694	17.0
160.12100	1.7
161.09621	9.3
161.13293	3.6
163.07549	4.2
163.11165	6.6
163.14786	2.7
164.76596	1.6
165.06979	2.7
165.12781	1.9
166.07693	1.5
166.44707	1.5
167.08514	9.1
168.09384	4.1
169.10117	56.8
170.10695	5.2
171.08064	4.3
171.11684	30.8
173.09612	6.8
173.13223	14.2
175.11253	4.3
177.09073	3.5
177.12759	3.2
179.08498	7.2
179.10754	2.3
181.10115	14.2
182.10826	4.0
183.08037	6.5
183.11688	36.0
184.12138	1.6
185.09612	16.0
185.13219	9.9
187.11185	7.8
187.14882	1.9
189.12772	2.9
191.10619	2.7
191.14313	2.1
192.09326	3.6
193.10110	9.8
194.10887	4.8
195.07980	3.6
195.11670	21.3
196.12421	5.9
197.09599	49.4
197.13246	25.3
198.10057	2.3
198.13770	2.8
199.11166	13.5
199.14749	4.4
201.09094	4.4
201.12651	2.4
203.10648	2.9
205.10117	4.7
205.12259	9.8
206.10851	3.7
206.68594	1.7
207.11681	17.1
208.12299	2.8
209.09634	16.1
209.13225	43.6
210.13715	2.6
211.11214	26.0
211.14795	31.5
212.15259	3.0
213.12701	7.4
213.16370	2.2
215.10654	31.7
215.14235	2.4
216.11067	2.0
217.12219	11.4
219.11607	4.4
219.13753	3.2
220.12465	3.2
221.13246	7.8
223.11189	13.8
223.14740	9.4
224.15347	1.7
225.12714	10.3
225.16255	7.7
227.10709	2.0
227.14302	3.2
229.12199	12.0
230.12567	1.9
231.13690	8.4
233.13191	4.1
233.15378	11.4
235.11171	1.9
235.14777	23.1
236.15338	2.1
237.12741	12.8
237.16325	14.1
239.14273	6.0
239.17987	7.5
241.12230	3.4
243.13889	7.9
244.12448	1.8
247.14836	1.8
249.12717	8.3
251.14291	33.7
251.17168	2.2
251.17995	2.4
252.14735	5.0
253.15878	29.4
254.16359	1.9
255.17429	2.9
257.15326	5.1
258.69977	1.7
259.14734	2.2
261.12653	1.9
261.16504	2.3
262.16730	1.6
263.14185	2.4
265.15836	11.5
267.13821	1.9
269.15347	6.2
270.16107	4.6
271.16922	56.2
272.17398	7.5
273.18460	2.8
277.15961	7.8
279.17426	30.1
280.17670	2.6
281.15356	2.2
281.18945	1.6
283.16998	3.7
285.18350	1.8
291.17487	3.2
295.16925	5.7
297.18567	9.0
299.19931	2.5
305.19119	2.0
309.18719	1.8
311.20309	1.9
312.20795	11.5
333.22150	3.3
347.23633	13.3
351.23099	10.2
352.23517	2.2
357.22186	14.8
358.22485	2.2
365.24753	13.5
366.24792	1.7
375.23160	77.7
376.23560	9.4
393.24188	64.8
394.24481	6.9
410.68781	2.1
411.14279	3.2
411.25247	100.0
412.25766	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2896
Annotation	Sinensiaxanthin
Peak:m/z	Relative Intensity
53.03947	9.8
55.01868	4.7
55.05514	32.8
55.78935	3.2
57.07079	4.2
60.07999	3.5
67.05516	36.3
69.03424	7.8
69.07072	14.1
71.05014	4.1
79.05500	29.6
81.07056	66.1
81.07520	4.8
82.25517	3.1
83.04990	23.0
83.08610	6.2
85.06548	6.6
91.05473	43.4
93.07052	66.0
95.04978	17.0
95.08613	81.2
97.06529	11.8
98.22547	8.5
99.04448	6.0
105.07030	60.3
105.27382	4.7
107.08601	80.2
109.06541	11.1
109.10140	32.7
111.08056	8.7
114.52755	3.8
115.05483	6.1
117.07030	15.2
119.08587	85.7
120.08972	4.1
121.06519	13.7
121.10153	43.0
123.08095	19.1
123.11713	10.7
125.09666	19.3
128.06210	12.9
129.07004	13.3
131.08574	41.9
133.06485	4.9
133.10133	91.0
134.10477	6.7
135.08052	12.6
135.11691	24.1
137.09593	7.0
139.07507	3.8
141.07059	4.9
142.07790	12.8
143.08554	33.4
145.10118	50.2
146.10492	5.9
147.08047	10.6
147.11671	41.7
149.09676	17.3
149.13307	8.1
150.99821	3.5
152.06291	3.6
153.09096	4.7
155.08592	14.7
157.10107	40.6
158.10742	4.2
159.08060	7.4
159.11707	48.8
160.12051	3.9
161.09674	20.2
161.13293	21.1
163.11192	12.0
163.14941	4.4
165.06966	8.4
167.08647	6.9
167.10687	5.6
169.10161	18.7
171.08023	28.3
171.11703	29.0
173.09676	12.6
173.13280	27.5
175.11157	17.3
175.14832	6.3
177.12772	14.9
179.08566	4.4
179.10703	6.1
181.10045	8.8
182.10934	3.4
183.11720	16.5
185.09677	8.2
185.13275	12.3
187.11230	12.1
187.14857	14.9
189.12701	11.1
189.16409	10.8
189.51872	4.1
191.10556	3.8
193.10130	8.2
193.12083	7.9
194.10941	7.8
195.11736	15.7
196.12419	5.4
197.09772	3.8
197.13290	11.4
199.11130	4.1
199.14813	20.8
201.12810	7.0
201.16382	9.4
203.14282	5.5
203.17807	3.5
207.11729	7.4
207.13817	7.2
209.09436	5.3
209.13251	11.0
211.11160	11.6
211.14851	9.5
213.12790	6.7
213.16422	11.4
215.14334	12.1
215.17969	4.7
217.15948	10.4
219.11629	7.6
222.06729	5.9
223.11156	4.6
223.14832	6.4
225.12784	6.4
225.16463	6.2
227.14265	6.1
227.17964	5.5
229.10045	4.6
229.12234	4.1
229.16014	6.7
231.11769	6.1
231.17448	8.7
235.07658	6.8
237.12790	9.6
239.14346	13.6
239.17845	3.8
241.09985	4.4
241.19424	3.8
243.17413	5.7
244.12428	4.6
247.16919	5.9
249.16360	4.1
250.06259	11.0
251.07069	10.5
251.17952	8.1
253.04874	4.1
253.15971	3.8
256.12262	4.4
257.13187	7.7
257.18967	4.2
262.16940	5.5
263.06982	7.8
264.04037	5.1
265.08591	8.1
266.05670	6.6
267.11472	6.7
268.07300	19.6
269.19025	7.3
271.14664	8.2
271.20355	4.7
272.15555	4.8
273.12836	4.1
273.16125	8.6
275.06967	5.5
277.08597	5.1
278.05807	5.8
279.06519	15.6
281.13416	4.1
282.05072	4.7
283.14746	3.9
287.20233	11.7
293.08038	28.4
294.08859	4.7
295.06274	5.0
295.09558	6.7
295.20370	4.5
296.06714	7.9
297.16391	13.5
297.22055	6.0
299.17746	4.1
305.08127	8.0
307.06097	6.4
311.09183	14.7
312.18518	7.4
315.17380	8.1
315.23154	6.2
321.07547	18.0
322.08365	6.5
323.09164	5.3
325.07056	19.3
325.10620	7.3
336.09879	12.0
337.25626	4.8
339.08633	55.2
340.09155	5.5
351.12280	15.2
353.10223	7.7
354.10983	81.7
355.11310	12.9
361.10669	16.2
363.12518	4.7
365.28326	12.2
369.09464	5.8
369.21939	5.6
375.26935	14.3
379.11691	26.9
380.12744	7.8
383.14905	5.8
383.29678	5.7
393.13440	31.8
393.22864	9.8
393.27902	74.3
394.28168	11.2
411.14633	18.4
411.23129	67.1
411.28888	100.0
412.24045	7.5
412.29184	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.8
55.01868	4.7
55.05514	32.8
55.78935	3.2
57.07079	4.2
60.07999	3.5
67.05516	36.3
69.03424	7.8
69.07072	14.1
71.05014	4.1
79.05500	29.6
81.07056	66.1
81.07520	4.8
82.25517	3.1
83.04990	23.0
83.08610	6.2
85.06548	6.6
91.05473	43.4
93.07052	66.0
95.04978	17.0
95.08613	81.2
97.06529	11.8
98.22547	8.5
99.04448	6.0
105.07030	60.3
105.27382	4.7
107.08601	80.2
109.06541	11.1
109.10140	32.7
111.08056	8.7
114.52755	3.8
115.05483	6.1
117.07030	15.2
119.08587	85.7
120.08972	4.1
121.06519	13.7
121.10153	43.0
123.08095	19.1
123.11713	10.7
125.09666	19.3
128.06210	12.9
129.07004	13.3
131.08574	41.9
133.06485	4.9
133.10133	91.0
134.10477	6.7
135.08052	12.6
135.11691	24.1
137.09593	7.0
139.07507	3.8
141.07059	4.9
142.07790	12.8
143.08554	33.4
145.10118	50.2
146.10492	5.9
147.08047	10.6
147.11671	41.7
149.09676	17.3
149.13307	8.1
150.99821	3.5
152.06291	3.6
153.09096	4.7
155.08592	14.7
157.10107	40.6
158.10742	4.2
159.08060	7.4
159.11707	48.8
160.12051	3.9
161.09674	20.2
161.13293	21.1
163.11192	12.0
163.14941	4.4
165.06966	8.4
167.08647	6.9
167.10687	5.6
169.10161	18.7
171.08023	28.3
171.11703	29.0
173.09676	12.6
173.13280	27.5
175.11157	17.3
175.14832	6.3
177.12772	14.9
179.08566	4.4
179.10703	6.1
181.10045	8.8
182.10934	3.4
183.11720	16.5
185.09677	8.2
185.13275	12.3
187.11230	12.1
187.14857	14.9
189.12701	11.1
189.16409	10.8
189.51872	4.1
191.10556	3.8
193.10130	8.2
193.12083	7.9
194.10941	7.8
195.11736	15.7
196.12419	5.4
197.09772	3.8
197.13290	11.4
199.11130	4.1
199.14813	20.8
201.12810	7.0
201.16382	9.4
203.14282	5.5
203.17807	3.5
207.11729	7.4
207.13817	7.2
209.09436	5.3
209.13251	11.0
211.11160	11.6
211.14851	9.5
213.12790	6.7
213.16422	11.4
215.14334	12.1
215.17969	4.7
217.15948	10.4
219.11629	7.6
222.06729	5.9
223.11156	4.6
223.14832	6.4
225.12784	6.4
225.16463	6.2
227.14265	6.1
227.17964	5.5
229.10045	4.6
229.12234	4.1
229.16014	6.7
231.11769	6.1
231.17448	8.7
235.07658	6.8
237.12790	9.6
239.14346	13.6
239.17845	3.8
241.09985	4.4
241.19424	3.8
243.17413	5.7
244.12428	4.6
247.16919	5.9
249.16360	4.1
250.06259	11.0
251.07069	10.5
251.17952	8.1
253.04874	4.1
253.15971	3.8
256.12262	4.4
257.13187	7.7
257.18967	4.2
262.16940	5.5
263.06982	7.8
264.04037	5.1
265.08591	8.1
266.05670	6.6
267.11472	6.7
268.07300	19.6
269.19025	7.3
271.14664	8.2
271.20355	4.7
272.15555	4.8
273.12836	4.1
273.16125	8.6
275.06967	5.5
277.08597	5.1
278.05807	5.8
279.06519	15.6
281.13416	4.1
282.05072	4.7
283.14746	3.9
287.20233	11.7
293.08038	28.4
294.08859	4.7
295.06274	5.0
295.09558	6.7
295.20370	4.5
296.06714	7.9
297.16391	13.5
297.22055	6.0
299.17746	4.1
305.08127	8.0
307.06097	6.4
311.09183	14.7
312.18518	7.4
315.17380	8.1
315.23154	6.2
321.07547	18.0
322.08365	6.5
323.09164	5.3
325.07056	19.3
325.10620	7.3
336.09879	12.0
337.25626	4.8
339.08633	55.2
340.09155	5.5
351.12280	15.2
353.10223	7.7
354.10983	81.7
355.11310	12.9
361.10669	16.2
363.12518	4.7
365.28326	12.2
369.09464	5.8
369.21939	5.6
375.26935	14.3
379.11691	26.9
380.12744	7.8
383.14905	5.8
383.29678	5.7
393.13440	31.8
393.22864	9.8
393.27902	74.3
394.28168	11.2
411.14633	18.4
411.23129	67.1
411.28888	100.0
412.24045	7.5
412.29184	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3252
Annotation	beta-Tocotrienol
Peak:m/z	Relative Intensity
53.03943	1.7
55.05512	28.0
57.07074	14.5
65.03928	1.0
67.05507	12.2
69.03410	1.6
69.07070	39.7
70.45248	1.9
71.08630	8.1
79.05485	5.6
81.06578	1.5
81.07059	27.5
83.01336	0.9
83.04995	6.8
83.08621	19.7
85.10172	3.0
91.05482	7.8
93.07036	9.2
95.04943	1.1
95.08045	1.7
95.08611	24.2
96.08938	0.9
97.06520	1.3
97.10168	12.1
98.95990	0.9
99.04437	1.4
105.07041	11.0
107.08595	7.6
109.06509	3.2
109.10157	14.4
111.04456	3.8
111.11739	5.3
115.05484	1.1
117.07040	3.5
119.04937	4.6
119.08580	10.4
121.06516	1.1
121.10130	6.9
123.08083	4.6
123.11729	5.8
125.05991	2.3
125.13292	1.9
128.06218	3.3
129.07028	4.2
131.08565	9.0
133.06508	2.8
133.10141	6.1
134.10448	1.0
135.08040	5.8
135.11696	3.8
137.05952	5.1
137.09583	2.3
137.13258	3.5
141.06964	2.3
142.07780	6.5
142.64334	0.8
143.08562	6.9
144.09312	1.9
145.06474	2.8
145.10106	7.6
147.08101	4.8
147.11687	7.8
147.97563	0.9
149.09619	2.6
149.13246	1.7
151.07545	30.4
151.14827	1.8
152.07886	0.9
155.08545	3.7
156.09338	3.1
157.10141	15.0
158.07254	1.6
158.10823	0.9
159.08041	7.3
159.11694	8.7
160.08827	2.2
161.05997	1.0
161.09657	7.7
161.13284	2.3
161.78166	0.9
163.07510	1.7
163.11227	1.8
165.09117	15.6
165.16457	1.5
168.09308	1.0
169.10129	4.0
170.10857	0.9
171.08044	2.9
171.11687	5.1
172.08842	3.0
173.09636	9.0
173.13226	2.7
174.06816	2.7
174.10442	1.6
175.07539	11.5
175.11177	8.1
176.08369	1.5
177.06595	0.9
177.09111	21.9
177.16458	1.3
178.09473	1.0
179.10657	1.2
183.11646	3.7
185.09605	10.7
185.13271	2.0
186.10284	2.1
187.07614	3.0
187.11125	8.2
187.14795	1.1
188.08327	13.7
189.09097	29.6
189.12688	6.8
190.09770	2.5
191.10667	14.4
191.17979	1.0
193.12326	0.9
195.11702	1.2
197.09587	1.7
197.13237	3.5
198.10406	1.6
199.07495	1.2
199.11160	4.3
200.08324	3.4
201.09109	21.6
201.12782	3.7
202.09845	5.9
203.10678	49.2
204.11102	2.1
205.12234	22.2
206.12730	1.8
209.09592	1.1
210.10471	1.4
211.11108	4.9
211.14819	2.2
212.11922	0.9
213.12659	4.4
214.09886	2.9
215.10690	17.1
215.14108	4.0
216.11191	1.5
217.10114	1.0
217.12233	20.9
219.13828	2.5
221.13170	1.0
223.46027	0.9
225.12720	4.0
227.10649	2.1
227.14197	1.8
228.11409	2.1
229.12239	11.1
229.15884	0.9
230.12543	0.9
231.13780	12.3
237.60558	0.8
239.14317	5.3
241.12198	2.3
241.15976	2.5
242.12979	1.7
243.13745	8.3
243.17419	1.2
245.15372	3.7
253.15936	2.3
255.13783	2.4
255.17326	1.1
256.14529	3.2
257.15372	8.3
259.16992	3.5
267.17410	2.4
269.19080	1.0
271.16873	4.3
273.18478	2.6
276.68320	0.9
285.18466	4.6
287.27347	1.2
296.70496	0.9
299.20035	2.4
301.21753	1.3
313.21536	1.0
341.24692	1.5
355.26364	2.1
365.32156	1.5
369.27783	1.9
383.33099	3.7
393.31421	5.8
411.32556	100.0
412.32898	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3268
Annotation	6-Geranylgeranyl-2,3-dimethylbenzene-1,4-diol
Peak:m/z	Relative Intensity
53.03942	1.4
55.05510	19.6
57.07077	12.6
59.45911	0.6
65.03938	0.8
67.05504	11.1
69.03438	0.6
69.07066	32.7
69.08157	4.3
69.08562	1.3
70.07403	0.6
71.08627	5.5
73.43568	0.7
77.90987	0.6
78.86624	0.6
79.05487	5.2
81.07053	22.2
83.04984	4.7
83.08137	1.1
83.08620	16.2
85.10180	2.6
91.05476	6.1
93.07049	7.1
95.08604	21.7
97.06579	0.7
97.10172	8.0
98.22788	2.3
103.05412	0.8
105.03358	1.1
105.07024	10.2
106.07364	0.6
107.08585	6.1
108.08921	0.7
109.06529	1.8
109.10154	10.9
111.04431	3.1
111.11712	4.4
115.05462	0.8
117.07029	2.6
119.04924	3.4
119.08575	8.8
121.06503	1.0
121.10125	4.4
123.08058	3.9
123.11693	6.0
125.05995	1.3
125.13255	0.8
128.06252	2.2
129.07001	2.0
131.08565	6.2
133.06491	1.1
133.10143	4.8
135.08051	4.6
135.11694	3.4
137.05977	4.2
137.09645	0.8
137.13268	2.4
141.07033	1.3
142.07779	4.6
143.08565	4.9
145.06499	1.5
145.10109	5.4
147.08044	4.6
147.11676	7.5
149.09586	3.0
149.13268	2.9
151.07539	21.8
151.08786	1.1
151.14819	1.3
155.08545	2.8
156.09352	2.7
157.10123	11.2
158.07288	1.0
159.08038	6.1
159.11688	5.8
160.08800	2.4
161.09625	6.0
161.13275	1.7
163.07547	1.7
163.11182	1.5
163.14832	1.1
165.09097	10.5
165.16406	0.9
166.09457	0.9
169.10146	2.7
170.10860	0.7
171.08064	2.9
171.11684	4.3
172.08830	2.7
173.06096	0.7
173.09630	6.1
173.13300	2.6
174.06805	2.4
174.10341	1.2
175.07549	9.1
175.11197	7.3
175.14673	0.6
176.08344	1.3
177.09094	18.2
177.12692	0.7
178.09540	1.0
179.10684	1.1
181.10170	0.7
183.08055	0.9
183.11703	2.9
185.09604	9.9
185.13258	1.3
186.10324	1.0
187.07536	2.7
187.11153	6.3
188.08322	10.5
189.09097	23.1
189.12697	5.6
190.09712	1.3
191.10666	12.5
192.10980	0.8
195.11705	0.9
196.08820	0.7
197.09518	1.0
197.13287	1.9
198.10234	1.1
199.07596	1.2
199.11172	5.2
200.08336	2.2
200.11961	0.8
201.09090	20.0
201.10904	1.3
201.12666	3.0
202.09883	4.4
203.10660	37.6
203.14381	1.5
204.11087	2.1
205.12227	18.2
206.12543	0.9
209.09660	1.1
209.13387	0.9
210.10390	1.1
211.11140	2.3
211.14760	1.2
213.09119	1.8
213.12732	3.9
213.16370	1.2
214.09845	2.1
215.10669	14.3
215.14056	3.0
216.11165	1.3
217.12231	21.1
218.12636	1.2
219.13785	3.9
225.12723	2.6
225.16397	1.0
227.10672	1.4
227.14265	1.7
228.11461	1.6
229.12230	11.7
229.15834	1.5
230.12740	1.1
231.13773	14.5
232.14185	1.1
233.15504	1.0
239.14220	3.4
241.12228	1.2
241.15886	1.4
242.12926	0.9
243.13805	7.1
243.17433	1.0
244.14262	0.9
245.15349	3.6
247.24144	0.8
253.15894	2.2
255.13704	3.1
256.14551	1.9
257.15335	6.9
259.17007	3.0
261.25687	0.9
267.17456	1.3
271.16928	4.6
273.18555	1.6
281.18900	0.7
285.18503	2.8
287.20038	1.0
287.27328	1.0
299.20013	1.0
329.24692	1.2
341.24832	0.9
355.26468	1.4
365.32303	1.3
383.33194	3.8
384.33539	0.7
393.31479	6.2
411.32553	100.0
412.32928	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3619
Annotation	5-Dehydroavenasterol
Peak:m/z	Relative Intensity
50.29404	1.4
53.03945	2.6
55.05513	18.0
57.07077	19.4
58.38728	1.4
62.63428	1.4
67.05502	23.8
69.06725	2.8
69.07068	36.9
69.13431	11.4
69.13838	3.3
71.08632	18.6
72.56085	1.4
79.05495	14.4
79.05919	2.1
81.07057	45.9
83.04996	4.6
83.08620	18.5
85.10187	11.4
91.05482	21.6
93.07048	28.3
95.04938	2.9
95.08611	64.9
97.06540	2.5
97.10161	12.7
103.05515	2.4
105.07029	39.7
107.08594	25.9
109.06527	2.8
109.10155	24.2
109.10823	2.4
111.11704	9.2
117.07025	13.7
119.08585	28.4
121.06476	7.7
121.10137	15.2
121.95872	1.7
123.08043	2.8
123.11713	13.4
128.06241	2.3
129.07008	10.7
131.08562	21.6
133.10124	21.0
135.11693	13.2
137.09592	2.3
137.13272	5.4
140.15572	1.6
141.07045	2.9
142.07779	12.7
143.08595	16.2
145.10132	29.6
147.08046	2.8
147.11684	27.7
149.13272	8.5
151.14816	1.7
155.08577	5.6
156.09355	2.2
157.10133	31.9
158.10577	1.5
159.11679	28.3
160.08856	2.9
161.09648	3.9
161.13219	11.3
163.11188	3.6
163.14822	4.9
165.12857	2.2
165.16464	2.2
169.10120	6.9
171.11720	12.4
173.09698	1.4
173.13246	14.4
175.11179	28.6
175.14864	4.5
177.12750	6.7
183.11636	9.1
185.13226	10.4
186.13875	1.8
187.14862	5.6
189.12741	5.4
189.16394	1.6
197.13260	7.1
199.14835	6.4
201.16399	3.0
203.18059	1.9
210.13979	1.8
211.14857	11.4
212.15620	1.6
213.16312	6.9
215.14345	1.8
215.17952	3.1
221.22662	2.5
225.16373	7.2
227.17975	2.4
229.19444	2.6
235.24327	1.8
236.30275	1.6
237.16440	1.7
239.17947	9.8
241.19530	1.8
243.17531	2.2
245.22926	1.6
247.24222	2.7
252.18764	2.5
253.19514	10.6
257.19025	2.9
267.21133	2.0
271.20517	3.4
273.25717	2.2
281.22498	3.4
285.22031	1.9
295.24103	1.7
299.14291	1.7
299.23987	2.2
309.25800	1.9
313.25339	1.7
317.28323	2.0
327.26755	1.9
353.32230	2.2
383.36761	4.1
393.35168	37.3
394.35538	5.4
411.17230	6.3
411.36209	100.0
412.17590	2.0
412.36676	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	10.1
67.05514	3.5
72.08180	5.2
74.54665	2.7
83.04995	8.2
85.02905	3.8
85.59065	2.9
93.03410	17.3
95.04954	14.9
96.47834	3.6
97.02912	3.3
102.25867	2.6
107.64719	2.5
111.04423	6.0
119.01913	6.6
121.02872	56.5
125.04499	3.4
129.04033	3.0
131.01892	3.3
139.02510	2.9
139.03908	6.7
141.04016	3.7
143.02034	3.1
145.03474	3.7
151.02435	5.1
153.04028	11.7
155.01895	5.6
157.03499	5.2
163.03978	4.5
169.03464	30.6
170.03645	5.3
171.05009	14.0
172.05211	5.5
173.02972	6.2
179.01941	12.6
185.02879	3.0
187.04572	6.9
191.05795	3.2
197.02986	89.0
198.03154	7.3
215.04025	41.3
233.05089	9.3
247.04689	3.1
261.06271	4.1
271.04599	8.9
273.06165	7.3
278.28680	2.9
289.05579	7.6
291.07089	4.9
299.03955	12.3
306.03961	4.0
307.06616	7.1
317.04987	16.8
318.04987	3.8
322.10696	7.8
335.06024	16.7
352.11597	16.8
353.07120	15.8
353.10861	4.6
354.07397	4.0
371.08243	43.5
389.04642	5.4
389.09296	100.0
390.09589	11.2
406.27444	3.1
413.08606	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.9
55.05510	3.5
65.03944	12.1
67.05517	4.5
69.40600	14.2
83.04990	9.2
93.03410	22.3
95.04951	13.3
107.03494	2.6
111.04469	5.0
121.02874	61.9
121.03874	4.2
125.04543	4.7
127.02426	2.7
131.01912	3.2
139.02374	3.8
139.03987	3.8
141.04036	2.4
151.02470	5.5
153.04008	11.1
155.01877	2.9
157.03500	3.7
157.69899	2.5
159.05084	3.7
161.00836	2.4
169.03464	25.9
171.04993	16.7
173.02982	3.6
179.01949	17.8
187.04514	5.7
195.01332	3.7
197.01144	4.4
197.02966	90.8
198.03123	6.7
215.04036	46.1
216.04289	3.4
233.05122	10.3
245.06581	7.5
255.01819	3.0
255.04875	2.5
261.06012	3.7
263.07678	5.3
271.04550	9.2
273.06104	7.2
281.03510	3.2
289.05624	8.6
291.07092	6.0
299.04025	14.9
307.06610	5.2
313.60046	2.3
317.05103	14.1
325.07825	3.5
335.06134	17.5
352.11383	5.5
353.07254	16.0
371.08139	42.7
371.12518	3.6
372.08255	4.0
389.09280	100.0
390.09427	10.0
407.10226	2.8
412.09656	3.6
413.08676	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	11.6
55.05511	6.9
57.03440	23.7
59.04997	3.5
60.04516	2.3
61.02922	17.0
62.52009	2.3
69.03429	38.6
70.66845	4.4
71.01341	5.9
71.05000	3.6
73.02921	86.4
81.03413	6.6
83.04990	19.4
85.02907	100.0
86.03268	3.1
87.04469	5.3
91.03980	3.0
97.02898	63.8
99.04462	4.8
101.06042	12.0
103.03947	2.5
105.07033	2.6
109.02908	7.5
115.03932	40.3
127.03909	32.8
128.54094	2.2
133.04962	55.3
137.05965	5.0
144.06534	4.4
145.04970	40.6
150.07613	3.5
159.30777	2.1
162.07623	4.2
163.06058	14.4
168.81364	2.0
177.05533	2.4
187.13293	2.5
197.08098	3.1
203.05350	4.9
210.06902	3.1
223.05984	4.1
233.15337	5.0
241.07040	5.9
245.10062	3.7
250.06961	2.8
250.10664	4.7
251.09439	7.3
259.08203	6.3
332.86035	2.3
412.11404	3.1
412.16190	4.4
413.14447	13.8
413.21619	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	11.6
55.05511	6.9
57.03440	23.7
59.04997	3.5
60.04516	2.3
61.02922	17.0
62.52009	2.3
69.03429	38.6
70.66845	4.4
71.01341	5.9
71.05000	3.6
73.02921	86.4
81.03413	6.6
83.04990	19.4
85.02907	100.0
86.03268	3.1
87.04469	5.3
91.03980	3.0
97.02898	63.8
99.04462	4.8
101.06042	12.0
103.03947	2.5
105.07033	2.6
109.02908	7.5
115.03932	40.3
127.03909	32.8
128.54094	2.2
133.04962	55.3
137.05965	5.0
144.06534	4.4
145.04970	40.6
150.07613	3.5
159.30777	2.1
162.07623	4.2
163.06058	14.4
168.81364	2.0
177.05533	2.4
187.13293	2.5
197.08098	3.1
203.05350	4.9
210.06902	3.1
223.05984	4.1
233.15337	5.0
241.07040	5.9
245.10062	3.7
250.06961	2.8
250.10664	4.7
251.09439	7.3
259.08203	6.3
332.86035	2.3
412.11404	3.1
412.16190	4.4
413.14447	13.8
413.21619	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
53.11956	0.9
55.53947	1.2
56.96564	2.7
57.03432	2.3
61.02921	1.3
69.03429	1.9
69.07092	0.9
69.91257	1.2
70.06583	1.3
71.30109	1.9
72.04521	4.4
79.05504	3.3
83.04980	1.8
85.02915	5.7
86.03233	1.3
86.67445	1.0
89.32630	1.1
95.04972	1.1
97.02909	2.2
101.06006	3.8
103.05470	2.4
105.07038	100.0
106.07370	2.8
107.64476	1.0
111.04439	1.6
115.45087	1.1
118.05026	3.6
118.06573	1.8
119.06926	1.7
122.09682	48.2
122.10577	2.3
123.10026	2.4
126.87470	1.1
129.05487	62.2
130.05785	1.2
132.08113	12.1
133.08430	7.7
144.08000	1.7
145.04977	1.2
145.08427	1.7
146.06015	6.1
147.06361	5.7
188.07100	9.4
189.07446	12.0
196.63646	0.9
223.99129	1.1
226.03888	1.8
234.13544	1.1
238.27748	1.0
249.12451	7.2
250.12694	13.5
270.02805	2.8
288.03909	3.3
310.02368	3.7
328.03436	4.1
370.04303	1.4
380.52441	1.2
412.17105	1.4
413.14102	8.5
415.31537	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.8
55.01878	2.7
55.05502	6.6
57.03436	34.5
60.08163	2.5
61.02927	12.7
66.25115	1.8
69.03088	2.3
69.03433	31.7
70.60867	3.8
71.01336	5.8
71.04981	5.9
73.02916	56.3
73.87067	1.6
75.24272	1.9
81.03422	5.6
81.07066	3.2
83.04952	1.8
83.08619	16.8
85.02907	100.0
86.09699	3.3
87.04472	9.9
90.75380	1.6
91.03944	4.7
93.07023	1.8
95.08576	2.0
97.02892	51.1
99.04451	4.8
103.03932	2.3
104.10765	9.0
105.02544	1.9
107.08561	2.2
109.02870	10.4
111.08067	2.7
115.03930	40.1
121.10200	1.9
123.04426	2.0
125.00036	2.0
127.03915	28.5
133.04968	20.5
137.09584	2.9
139.07593	4.4
141.09059	2.7
144.06589	1.6
145.04967	40.5
150.07570	5.2
153.09045	1.6
156.02762	1.7
163.06027	20.5
167.10643	2.0
168.41295	1.6
173.47540	2.1
184.07358	7.9
191.10706	3.0
193.04849	2.1
196.76248	1.9
223.06024	3.4
227.12859	3.3
227.19759	1.7
241.07091	5.5
251.16463	2.7
259.08041	3.1
263.14908	2.9
295.10245	2.2
412.20093	12.2
413.17657	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
55.05508	2.1
57.03431	12.3
59.04996	1.0
61.02921	2.7
69.03428	2.8
69.07072	3.9
71.01331	1.3
71.04992	69.4
71.34201	1.4
72.05307	1.9
73.02924	2.3
75.04481	3.2
77.93801	1.3
81.03433	1.9
81.07060	1.7
83.04991	6.5
85.02904	100.0
85.06531	1.3
86.03242	2.1
87.04469	1.5
87.15746	1.2
93.07045	1.1
95.04973	1.1
97.02894	4.5
99.04478	2.4
105.07049	1.7
107.08631	1.4
111.04458	4.7
121.06556	1.3
121.55125	1.1
122.06100	1.2
127.03912	4.7
129.05470	38.3
145.04968	6.3
146.08101	1.4
147.06512	21.4
151.71146	1.2
163.06026	4.2
164.09224	5.2
255.08585	2.3
273.09708	1.5
376.26395	1.2
395.94672	1.2
412.12473	1.9
412.19733	3.5
413.12369	1.6
413.21695	6.8
435.49075	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50214	2.1
55.01873	10.4
55.05495	5.5
57.03434	18.5
61.02936	12.2
69.03434	27.2
69.42597	10.2
71.01342	2.6
71.04975	5.4
73.02916	19.2
74.92052	2.0
79.05469	2.7
81.03412	6.8
83.08616	7.6
85.02904	100.0
86.03245	3.9
86.09696	3.0
87.04462	4.9
91.03958	4.5
91.05505	3.3
93.07069	3.3
95.04962	2.7
97.02895	28.3
98.22709	4.2
99.04444	5.8
103.03939	3.1
103.21753	1.8
105.07013	3.8
109.02863	7.1
109.06478	2.9
111.08080	3.2
115.03960	13.6
121.06464	2.6
121.10127	2.0
125.00063	3.0
125.49794	2.0
127.03923	26.1
128.04285	2.2
132.06508	2.3
133.04985	16.3
137.05939	6.2
139.07535	4.2
145.04948	44.6
145.10075	3.3
150.07626	4.2
151.07501	2.7
163.06030	17.1
184.07397	13.3
209.11784	2.0
233.15366	6.8
251.16338	2.2
263.14993	3.0
291.93018	2.3
412.16504	8.0
412.20853	4.4
413.21954	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72208	2.8
62.30457	2.6
69.03434	4.5
69.38615	17.2
83.52475	2.6
85.02908	4.3
97.02932	4.1
98.22625	5.3
119.01954	4.6
151.03928	3.6
154.03232	3.1
155.01866	3.9
161.02945	9.2
161.10657	3.3
173.02985	7.1
185.02930	3.5
198.03239	5.5
245.05115	7.1
269.05161	3.7
321.10367	3.4
353.07352	6.3
353.11322	5.0
358.88196	2.9
371.08127	3.8
390.09454	8.0
413.02817	4.2
413.08493	100.0
413.14041	9.6
414.08478	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24615	2.6
51.75369	2.8
56.96557	5.0
62.75338	2.6
69.03385	3.3
69.73140	9.1
76.29372	2.9
77.64603	2.9
77.84350	3.1
85.02907	3.9
92.84602	3.4
98.97633	6.5
101.64450	2.7
110.97575	3.8
116.98612	3.4
128.98747	2.9
181.04945	3.9
198.89616	2.8
207.31992	3.1
211.03954	3.3
228.27560	3.1
272.89749	3.3
371.06241	3.7
413.08337	100.0
413.13977	22.3
414.08813	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1228
Annotation	Rubiginone H
Peak:m/z	Relative Intensity
57.43224	1.4
75.04455	2.9
79.81571	1.6
95.04950	1.3
103.05435	3.0
108.88812	1.7
131.04933	2.5
135.04474	2.1
145.06514	2.8
153.05444	2.2
153.07025	1.9
159.04393	3.2
163.03944	4.9
165.07027	5.2
177.05476	4.4
181.06442	4.1
187.04002	4.6
189.05493	5.2
193.04971	5.0
193.06503	3.6
195.08131	2.9
196.05165	3.9
197.05942	2.6
199.03935	2.2
205.04930	4.3
207.04350	2.1
209.05981	4.7
210.03065	4.0
210.06679	2.7
211.03973	2.8
211.07533	5.0
212.04782	3.8
213.05360	2.3
217.04930	34.2
217.06880	2.4
220.07242	3.1
221.05954	5.3
221.07974	3.6
223.04063	1.8
223.07616	4.0
224.04726	7.2
225.05505	8.5
225.09215	2.7
226.06238	3.1
227.03334	8.6
227.07053	3.7
234.06789	1.9
235.03824	2.3
235.07545	2.9
237.05508	12.2
237.09094	2.5
238.02690	7.7
238.06195	5.3
239.03416	3.8
239.06931	9.6
240.04117	11.3
241.04890	5.8
249.05505	8.1
250.06192	7.0
251.03377	1.6
251.07106	10.8
252.04207	10.8
253.04921	13.8
253.08627	3.4
254.02086	8.3
254.05661	6.8
255.02731	8.2
255.06569	5.3
263.06955	5.5
264.04272	5.0
264.07727	3.1
265.04950	6.7
265.08527	2.9
266.02036	4.5
266.05765	6.6
267.03070	11.7
267.06406	15.7
268.03516	4.3
268.07217	6.7
269.04617	10.7
269.08041	8.9
270.05301	7.8
277.05017	2.7
278.05701	13.5
279.06482	29.3
280.03711	5.4
280.07190	8.7
281.04483	59.2
281.07971	10.3
282.01605	8.6
282.05182	16.3
282.08362	2.9
283.02441	4.9
283.06073	7.3
283.09485	3.1
285.03635	1.9
285.07397	2.4
291.02844	6.3
291.06421	4.5
292.07233	4.9
293.04922	2.8
293.08057	15.5
294.05066	4.1
294.08807	6.6
295.06055	25.0
295.09567	4.5
296.06735	22.9
297.03989	63.1
297.07535	11.3
297.10736	2.1
298.04623	30.5
298.07986	2.9
299.05222	2.4
299.09262	2.6
305.04581	1.9
306.05106	4.6
307.06094	10.8
308.06635	2.5
309.04407	2.1
309.07455	8.2
310.04837	3.3
310.08130	10.6
311.05460	4.3
311.09146	16.4
312.06290	34.8
312.09628	2.6
313.07050	100.0
313.10126	3.6
314.07370	10.2
321.07547	38.3
321.11420	2.0
322.08292	13.7
323.05499	9.5
323.09125	4.0
324.06128	5.4
324.09647	2.2
325.03519	1.8
325.07040	28.7
325.10724	5.7
326.07526	4.0
327.08624	13.1
335.09113	2.8
336.09811	5.0
337.06964	5.7
337.10843	4.3
338.07718	8.4
339.08582	19.3
340.05338	3.9
340.09378	52.0
341.06354	2.9
341.09845	10.9
343.11804	3.4
353.10193	41.7
354.10608	4.5
355.08075	56.2
356.08835	43.5
362.51959	1.7
364.09250	3.7
367.11819	5.3
369.09763	3.3
370.10526	3.7
371.11060	10.0
380.08905	3.2
381.09552	5.0
383.11267	2.9
385.12701	5.9
395.11148	16.3
396.11932	2.1
413.12274	39.4
413.24634	6.8
414.12540	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1232
Annotation	Rubiginone H
Peak:m/z	Relative Intensity
67.67088	1.9
69.07082	16.7
83.04995	2.4
93.07033	2.2
103.05448	2.0
105.12675	1.9
131.04950	4.2
131.08630	2.1
135.08134	1.8
144.09389	1.8
144.69196	2.3
152.06285	2.2
153.05400	2.3
154.07767	2.2
162.39857	1.7
163.03897	4.3
165.07014	4.8
169.10165	3.0
169.44521	2.1
177.05522	4.2
179.08632	2.9
181.06514	2.0
187.03906	4.9
193.05016	5.6
194.07353	2.2
195.06544	2.4
196.05255	2.9
197.06013	2.5
205.04903	2.5
207.08107	3.4
209.06035	6.1
210.03081	2.2
211.07597	5.8
212.04671	4.7
213.05540	2.6
217.04970	26.1
218.05370	2.9
220.07344	2.8
221.06020	5.7
221.08075	3.9
222.06673	2.5
223.07635	4.0
224.04677	6.7
225.05330	4.8
226.06255	2.8
227.03456	8.3
227.06950	3.4
228.07677	2.2
235.07526	2.4
237.05547	9.3
237.09068	2.7
238.02652	6.4
238.06215	7.4
239.03427	3.6
239.07051	12.5
240.04230	12.5
241.05029	3.7
241.08875	2.3
242.05829	3.0
249.05484	7.8
250.06279	6.1
251.07047	9.1
252.04193	9.1
253.04990	15.3
253.08565	3.4
254.02106	6.3
254.05745	9.2
255.02924	6.5
255.06465	8.8
261.05438	3.2
263.03363	2.3
263.06906	3.1
264.04263	3.8
265.04916	9.0
265.08661	4.6
266.02188	5.0
266.05734	8.4
267.02963	6.4
267.06546	21.4
268.03778	3.1
268.07245	8.7
269.04443	14.1
269.08035	9.2
270.05173	5.7
277.05060	4.5
278.05832	8.6
279.06512	22.5
280.03699	6.3
280.07239	5.2
281.04468	48.1
281.08032	8.7
282.01639	7.0
282.05151	14.2
282.08252	2.9
283.02328	5.0
283.05991	4.6
283.09576	3.6
284.06946	2.6
285.07565	2.9
285.16245	2.6
291.03171	4.2
291.06528	8.9
292.07346	4.9
293.08102	13.7
294.05389	4.4
294.08798	6.9
295.06079	27.6
295.09634	5.0
296.06781	20.7
297.03943	53.3
297.07553	17.9
298.04733	27.7
298.08081	4.1
299.05542	5.0
299.09180	5.0
305.04453	2.6
306.05280	4.4
307.05963	6.4
308.06744	2.9
309.07547	9.1
310.04944	3.5
310.08276	8.0
311.05484	6.2
311.09152	19.6
312.06293	24.4
312.09528	3.2
313.07071	100.0
313.10330	4.7
314.07401	9.2
321.07587	32.7
322.08337	10.4
323.05441	10.2
323.08963	4.1
324.06201	2.6
325.07123	34.3
325.10678	5.0
326.07529	3.2
327.08673	15.4
328.09235	2.7
329.10156	2.9
337.07037	6.6
338.07718	4.8
339.08585	18.6
340.05380	4.3
340.09424	67.0
341.10056	10.9
343.11829	2.8
352.09445	3.2
353.06216	3.6
353.10208	40.5
353.14267	3.6
354.10773	2.7
355.08090	52.0
356.08899	39.7
357.09445	3.7
363.08511	3.5
364.09113	3.8
365.06439	2.9
367.11826	7.1
369.09561	2.2
371.11258	8.9
380.08847	2.7
381.09674	7.9
382.10135	2.5
383.11417	3.4
385.12851	6.2
395.11240	18.9
413.12341	44.2
413.24609	23.4
414.12457	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1231
Annotation	Steganone
Peak:m/z	Relative Intensity
54.88450	2.5
55.01862	6.3
55.05497	16.0
57.03423	3.2
58.98160	3.2
59.05005	3.4
60.97722	2.5
67.05504	3.5
68.99785	4.4
69.03416	4.0
69.28177	19.9
75.04475	12.0
83.04986	37.0
85.02927	4.6
91.05472	4.5
91.81223	2.6
95.04996	6.2
98.23305	5.1
99.04475	4.1
101.06015	10.9
109.59313	3.0
113.05983	16.0
115.03914	3.2
115.05493	8.3
117.07046	4.0
125.05999	5.1
127.03939	3.5
128.06227	5.3
129.07021	6.2
131.04927	4.4
141.05487	7.4
141.06979	3.6
143.04897	3.2
145.06485	35.5
151.03868	6.7
151.07552	18.7
152.06247	7.0
153.05469	7.1
153.06981	6.5
155.08449	3.0
157.06480	15.3
159.04413	3.1
159.08029	4.7
161.06013	10.2
163.68787	3.0
165.05705	2.9
165.07018	13.7
166.07759	6.7
167.07014	8.2
167.08424	6.4
168.05766	6.5
169.05005	6.8
169.06488	9.7
171.04407	3.4
171.06509	6.0
173.05992	17.0
175.03870	3.9
175.07516	5.1
177.07019	3.8
178.07797	11.5
179.08517	19.8
180.05754	3.5
181.04964	12.6
181.06511	10.0
181.10118	4.1
182.07298	4.6
183.08047	8.3
184.05103	3.7
185.05978	21.0
187.07582	4.8
189.05481	5.7
189.07076	9.4
190.07803	4.3
191.03543	5.3
191.07025	6.1
191.08556	6.4
192.05858	5.5
192.09251	3.9
193.04973	3.5
193.06523	9.8
194.07281	5.7
195.06499	6.4
195.08104	12.4
196.05150	4.9
196.08849	5.7
197.05882	14.0
197.09531	3.2
198.06715	4.1
199.03920	4.8
199.07553	3.2
201.05469	9.6
202.06229	4.5
203.07002	35.3
205.06499	7.5
206.07277	9.0
207.08005	25.1
208.08723	3.5
209.04388	13.5
209.06065	7.7
209.09535	6.1
210.06737	3.4
211.07619	21.6
212.04652	10.9
212.08122	2.9
213.05518	27.4
215.03543	5.2
215.06995	47.2
216.07414	3.8
217.06422	3.9
218.07347	6.5
219.08031	7.1
221.05960	11.2
221.09558	5.6
222.06773	5.1
223.07524	27.8
224.08345	9.0
225.05453	19.4
225.09119	6.9
226.06187	8.9
227.03400	9.3
227.06999	13.9
228.04163	5.6
229.04977	9.7
234.06807	11.7
235.07500	29.7
236.04616	6.8
236.08231	7.9
237.05383	14.7
237.09053	17.1
238.06192	13.8
239.03407	5.0
239.06972	38.2
239.10728	9.0
240.04169	31.7
240.07803	3.7
241.04895	13.8
241.08510	5.8
242.05663	10.1
243.02899	10.3
243.06491	38.6
247.07533	8.7
249.05406	18.6
249.09149	11.8
250.06192	18.7
251.06967	27.3
251.10843	4.1
252.04231	6.6
252.07751	13.1
253.04839	14.2
253.08626	15.2
254.05789	6.5
255.02756	5.5
255.06570	20.3
256.03708	3.7
256.07370	4.8
257.04443	11.6
257.07983	7.4
259.06021	9.2
262.06229	8.4
263.07025	32.2
264.04214	9.4
264.07739	15.9
265.05026	15.2
265.08597	44.5
266.05722	12.2
266.09137	7.0
267.03439	4.5
267.06525	25.9
267.10062	23.4
268.03629	11.3
268.07266	9.7
269.04498	19.8
269.08087	38.1
270.05234	13.3
270.08441	3.3
271.02710	4.1
271.05939	13.6
272.06717	5.1
275.07080	10.1
276.07867	5.7
277.05060	10.2
277.08621	19.9
278.05722	11.6
278.09155	4.4
279.06525	30.3
279.09921	6.7
280.04037	5.0
280.07266	17.8
281.04480	9.5
281.08096	26.2
282.05496	4.6
282.08841	9.0
283.05930	10.6
283.09253	7.3
284.06769	7.9
285.07587	9.0
286.04730	24.8
287.05420	5.9
287.09085	6.9
290.05603	5.7
291.06464	17.7
292.07211	18.4
293.04709	7.0
293.08023	65.7
294.05313	6.7
294.08667	15.8
295.05972	15.4
295.09674	26.2
296.03366	4.0
296.06741	10.2
296.10114	4.1
297.04034	7.1
297.07498	13.6
297.11212	18.9
298.04578	11.8
299.05600	8.1
299.09097	7.2
301.07040	81.7
302.07666	11.6
303.06439	5.9
304.07111	3.8
305.04889	4.5
305.07870	14.7
306.08740	7.7
307.05939	13.8
307.09650	26.8
308.06665	10.8
308.10074	6.5
309.07544	28.6
309.11200	9.6
310.05054	3.3
310.08383	12.6
311.05505	16.9
311.09106	10.3
312.06247	11.7
312.09579	4.3
313.07056	38.6
314.07678	7.5
315.08624	5.2
319.06027	8.8
320.06741	8.5
321.07529	32.4
322.08231	8.0
323.05679	7.1
323.09067	31.3
323.37122	3.5
324.06094	3.8
324.09689	11.3
325.06970	8.6
325.10654	58.7
326.11111	3.8
327.08716	6.4
327.12274	7.2
328.09335	8.3
330.07364	7.4
334.08304	5.0
335.09109	29.9
336.09915	15.8
337.07007	10.6
337.10629	8.0
339.08636	12.6
339.12283	12.1
340.09122	4.9
340.12991	3.4
343.08173	6.4
349.06866	5.7
350.07925	4.2
351.08606	7.0
352.09500	11.2
353.06290	5.2
353.10178	42.3
354.10876	4.5
355.11697	13.9
357.13321	18.5
363.08774	6.2
364.09457	5.6
365.10175	11.7
367.11707	35.4
368.12228	6.1
377.10123	5.9
381.09891	9.3
383.11249	49.9
384.11649	4.1
385.12860	40.3
395.11331	14.3
413.12265	100.0
413.24606	5.1
414.12546	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.123
Annotation	Peperomin E
Peak:m/z	Relative Intensity
52.94298	0.6
53.84139	0.6
55.01853	0.6
55.05512	1.6
55.28588	0.6
64.26021	0.5
65.03964	0.8
67.05492	0.9
69.03455	0.6
70.55747	1.6
71.23859	0.6
73.49174	0.6
74.05351	0.7
81.07063	2.0
83.04980	2.8
89.05276	0.6
91.05477	1.2
93.07051	0.8
95.08613	1.8
97.06493	0.7
105.07043	1.0
107.08594	1.2
111.04430	1.7
115.05440	1.1
117.07008	0.7
119.08561	1.0
129.07039	0.9
133.10181	0.7
139.03929	1.0
141.06999	0.6
143.08562	0.8
152.06247	1.1
153.07045	1.3
154.07681	0.8
155.08617	0.7
157.06541	1.2
157.10103	0.8
159.04526	0.7
163.07570	0.7
165.07042	4.4
166.07817	1.9
167.08592	2.5
169.10123	2.8
175.03899	2.8
175.14893	0.7
178.07782	3.0
179.08566	8.8
180.09274	1.4
181.06606	0.9
181.10098	3.4
183.08012	1.4
189.07054	1.8
190.07762	1.1
191.08592	1.7
193.06529	2.7
193.10144	1.2
194.07306	1.6
195.08080	4.2
196.08891	1.4
197.09656	0.7
199.07538	0.7
201.05501	0.6
205.06551	1.0
207.08041	13.5
207.11708	0.8
208.05251	0.9
208.08720	2.3
209.06087	0.9
209.09624	7.2
210.10233	1.5
211.07597	1.8
212.04654	0.9
213.05434	3.3
214.06239	0.8
215.06992	1.1
216.07841	1.1
219.08014	2.7
220.05188	0.9
221.05971	4.6
221.13356	0.8
222.06793	2.0
223.07593	4.9
223.11154	1.3
224.08231	2.0
225.05496	1.6
225.09041	2.2
226.06293	3.2
227.06973	2.9
228.04092	0.7
228.07854	1.0
229.04985	0.7
229.08635	0.8
233.13409	0.9
234.06845	1.0
235.03882	0.9
235.07535	14.8
236.04588	0.8
236.08206	3.7
236.85364	0.6
237.05492	5.1
237.09045	8.5
238.06213	2.2
238.09689	1.7
239.03365	1.9
239.07054	4.6
239.10689	1.6
240.07748	2.1
241.05032	1.2
241.08498	1.3
243.11528	0.8
245.13287	0.8
247.07568	1.5
247.14758	1.1
248.08545	0.6
249.05457	4.4
250.06227	7.2
251.07053	18.6
251.09927	1.1
251.10875	1.2
252.07797	7.4
253.05052	3.2
253.08604	10.3
254.05783	3.3
254.08820	0.7
255.06316	0.9
258.14163	1.1
261.05472	0.8
262.06223	1.5
263.07031	11.2
264.05090	0.8
264.07697	4.9
265.05182	2.8
265.08588	28.8
266.05771	2.1
266.09305	10.2
267.06592	2.8
267.10110	20.8
268.07352	1.3
268.10544	1.1
269.08115	1.6
270.14050	1.0
271.06003	2.2
273.16501	1.3
275.06964	3.3
276.07721	4.3
277.05093	1.7
277.08606	5.5
278.05765	5.3
278.08875	1.4
279.06485	12.1
279.09436	1.2
280.04306	0.8
280.07132	3.4
281.04465	4.3
281.08121	2.7
282.05264	12.3
282.08450	0.9
283.05902	1.1
283.09668	2.4
284.07169	0.7
285.07602	1.4
291.06580	2.2
291.10211	0.6
292.07300	2.0
293.08078	36.2
294.08762	12.0
295.06082	1.8
295.09668	9.0
296.06693	2.4
297.07590	27.3
297.11038	2.0
298.07910	2.3
298.11600	0.7
299.05341	1.1
299.17889	1.6
300.06384	1.0
303.06470	4.6
304.07153	1.4
305.08051	1.7
306.05280	1.6
307.06046	1.6
307.09705	1.2
309.07523	1.9
309.10974	0.9
310.08322	1.8
311.09082	7.2
312.09399	0.8
314.20068	1.4
315.08588	1.0
316.05707	1.6
320.06717	1.5
321.04034	1.3
321.07587	19.1
322.08191	2.7
323.09250	2.5
324.06216	0.9
325.07138	1.1
325.10684	15.2
326.11407	13.9
326.14981	1.3
327.11987	1.4
331.08093	2.4
335.09164	10.2
336.09720	4.2
337.10574	1.3
339.08609	3.5
349.06958	4.2
351.08359	1.1
353.10205	24.1
354.10678	2.8
355.11774	1.0
363.08685	3.8
367.11929	1.0
381.09552	4.7
383.11377	1.1
385.12766	1.8
395.11188	1.9
399.10864	2.8
413.12305	100.0
413.23892	6.5
414.12704	12.4
414.17822	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
67.67088	1.9
69.07082	16.7
83.04995	2.4
93.07033	2.2
103.05448	2.0
105.12675	1.9
131.04950	4.2
131.08630	2.1
135.08134	1.8
144.09389	1.8
144.69196	2.3
152.06285	2.2
153.05400	2.3
154.07767	2.2
162.39857	1.7
163.03897	4.3
165.07014	4.8
169.10165	3.0
169.44521	2.1
177.05522	4.2
179.08632	2.9
181.06514	2.0
187.03906	4.9
193.05016	5.6
194.07353	2.2
195.06544	2.4
196.05255	2.9
197.06013	2.5
205.04903	2.5
207.08107	3.4
209.06035	6.1
210.03081	2.2
211.07597	5.8
212.04671	4.7
213.05540	2.6
217.04970	26.1
218.05370	2.9
220.07344	2.8
221.06020	5.7
221.08075	3.9
222.06673	2.5
223.07635	4.0
224.04677	6.7
225.05330	4.8
226.06255	2.8
227.03456	8.3
227.06950	3.4
228.07677	2.2
235.07526	2.4
237.05547	9.3
237.09068	2.7
238.02652	6.4
238.06215	7.4
239.03427	3.6
239.07051	12.5
240.04230	12.5
241.05029	3.7
241.08875	2.3
242.05829	3.0
249.05484	7.8
250.06279	6.1
251.07047	9.1
252.04193	9.1
253.04990	15.3
253.08565	3.4
254.02106	6.3
254.05745	9.2
255.02924	6.5
255.06465	8.8
261.05438	3.2
263.03363	2.3
263.06906	3.1
264.04263	3.8
265.04916	9.0
265.08661	4.6
266.02188	5.0
266.05734	8.4
267.02963	6.4
267.06546	21.4
268.03778	3.1
268.07245	8.7
269.04443	14.1
269.08035	9.2
270.05173	5.7
277.05060	4.5
278.05832	8.6
279.06512	22.5
280.03699	6.3
280.07239	5.2
281.04468	48.1
281.08032	8.7
282.01639	7.0
282.05151	14.2
282.08252	2.9
283.02328	5.0
283.05991	4.6
283.09576	3.6
284.06946	2.6
285.07565	2.9
285.16245	2.6
291.03171	4.2
291.06528	8.9
292.07346	4.9
293.08102	13.7
294.05389	4.4
294.08798	6.9
295.06079	27.6
295.09634	5.0
296.06781	20.7
297.03943	53.3
297.07553	17.9
298.04733	27.7
298.08081	4.1
299.05542	5.0
299.09180	5.0
305.04453	2.6
306.05280	4.4
307.05963	6.4
308.06744	2.9
309.07547	9.1
310.04944	3.5
310.08276	8.0
311.05484	6.2
311.09152	19.6
312.06293	24.4
312.09528	3.2
313.07071	100.0
313.10330	4.7
314.07401	9.2
321.07587	32.7
322.08337	10.4
323.05441	10.2
323.08963	4.1
324.06201	2.6
325.07123	34.3
325.10678	5.0
326.07529	3.2
327.08673	15.4
328.09235	2.7
329.10156	2.9
337.07037	6.6
338.07718	4.8
339.08585	18.6
340.05380	4.3
340.09424	67.0
341.10056	10.9
343.11829	2.8
352.09445	3.2
353.06216	3.6
353.10208	40.5
353.14267	3.6
354.10773	2.7
355.08090	52.0
356.08899	39.7
357.09445	3.7
363.08511	3.5
364.09113	3.8
365.06439	2.9
367.11826	7.1
369.09561	2.2
371.11258	8.9
380.08847	2.7
381.09674	7.9
382.10135	2.5
383.11417	3.4
385.12851	6.2
395.11240	18.9
413.12341	44.2
413.24609	23.4
414.12457	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1231
Annotation	Peperomin E
Peak:m/z	Relative Intensity
53.03935	4.5
55.01867	4.7
55.05499	11.3
57.03428	2.3
64.49586	2.2
67.05492	8.0
69.00826	23.0
69.03413	7.0
69.07050	7.2
71.04987	3.1
75.04477	9.1
79.05480	7.4
80.53273	2.5
81.07041	9.7
82.75393	2.2
83.04983	32.8
85.02895	2.8
85.06549	3.8
91.05479	11.8
93.07030	11.1
95.04958	7.2
95.08598	11.9
97.06558	2.8
98.22616	5.5
99.04436	5.1
101.06015	6.9
105.07030	11.2
107.08608	6.4
109.06506	4.8
109.10166	4.0
111.04448	6.9
111.08097	4.1
113.06003	9.4
115.05467	7.6
117.07001	4.4
119.04910	2.4
119.08596	7.5
121.06504	5.6
121.10149	6.1
123.08038	2.4
125.05997	4.9
126.06279	2.7
128.06244	6.6
129.06973	7.3
131.08594	4.6
133.06476	3.6
133.10153	5.1
135.08054	4.9
135.11559	2.4
139.03917	2.6
139.07526	3.2
141.05463	4.3
141.07033	4.6
142.07808	3.5
143.04904	4.9
143.08537	4.4
145.06502	24.2
145.10091	6.7
145.94992	2.5
147.08098	3.4
147.11655	3.5
151.03900	4.4
151.07542	8.2
152.06207	3.5
153.05455	7.9
153.06853	3.4
154.07622	2.5
155.08553	6.8
157.06482	17.1
157.10222	3.1
159.04468	3.5
159.08025	3.9
159.11674	4.4
161.05969	11.3
165.07001	6.1
165.09171	4.3
166.07765	4.2
167.07063	6.7
167.08533	5.2
169.06506	7.5
169.10112	6.0
171.06590	14.2
171.11836	2.8
173.05986	10.1
173.09634	4.7
175.03909	3.7
175.07526	9.4
175.11168	3.3
178.07806	10.3
179.08575	12.0
181.04967	4.7
181.06476	6.1
181.10051	3.8
183.11734	4.1
185.05977	19.2
187.07681	2.3
187.11340	2.5
189.05460	6.7
189.06996	5.4
190.07811	4.2
191.07018	16.8
191.08493	5.1
193.04951	3.0
193.06525	5.8
193.10181	5.0
195.06496	8.3
195.08095	4.5
196.05194	3.0
197.06010	5.5
197.09624	3.0
199.03903	5.5
199.07434	4.2
200.04669	6.9
201.05522	5.8
203.07030	23.8
205.06496	5.5
205.10149	3.2
206.07246	4.4
207.04359	3.5
207.08000	9.2
207.11761	2.9
209.04388	3.6
209.06097	5.9
209.09709	5.6
211.03888	5.1
211.07495	4.9
211.14780	2.9
212.04646	7.8
212.08159	3.0
213.05473	27.1
214.06284	3.1
215.03700	3.4
215.07010	63.5
216.07455	4.5
218.07237	3.1
219.06406	4.7
219.08289	4.4
219.11649	4.1
220.08865	3.5
221.06012	8.0
221.09665	4.9
221.13138	3.0
222.06738	4.8
223.07445	6.9
223.11079	5.0
224.08217	2.5
225.05450	7.3
225.09039	4.6
226.06219	8.5
227.03381	8.3
227.07008	13.5
228.04202	5.6
229.04976	8.5
231.11597	4.6
233.13484	3.1
234.06708	10.2
235.07536	16.4
236.04634	3.5
237.05444	9.0
237.09090	6.3
238.06146	3.8
239.03455	7.6
239.07031	8.4
239.10822	3.5
240.04173	13.6
241.04980	14.5
242.05698	8.0
243.02852	4.6
243.06511	35.5
243.11699	6.3
246.06754	3.7
247.07611	5.1
249.05453	9.3
249.09090	5.3
250.06194	9.4
251.03522	6.5
251.07004	19.5
252.04089	4.0
252.07793	5.2
253.04941	6.7
253.08629	10.4
254.05652	3.0
255.02870	9.8
255.06567	14.3
256.03531	4.6
256.07333	4.9
256.12421	3.9
257.04465	7.1
257.08066	7.5
257.13327	2.8
258.13995	4.9
259.14664	4.3
262.06244	7.0
263.07013	17.8
264.04288	3.5
264.07770	10.2
265.05322	14.1
265.08502	21.6
266.05692	7.6
266.09186	3.3
267.02945	7.4
267.06506	15.6
267.09714	3.5
268.03922	5.4
268.07138	5.9
269.04456	11.4
269.08017	4.5
270.05188	11.6
271.02313	2.5
271.06046	9.7
271.14795	6.1
273.16318	5.3
275.03397	2.7
275.07034	8.1
276.07794	6.5
277.04974	8.9
277.08560	14.2
278.05566	5.9
279.06534	22.6
280.03906	4.0
280.07193	11.0
281.04440	11.3
281.07562	12.1
282.05072	8.1
282.08575	4.3
283.02646	2.4
283.05963	10.9
283.09222	5.0
284.06711	7.9
285.07495	7.1
286.04724	7.9
290.05865	3.4
291.06409	13.8
292.07312	16.5
293.04739	4.0
293.08066	28.9
294.05115	6.1
294.08499	5.8
295.05963	10.3
295.09604	15.3
296.03134	5.4
296.06616	6.5
296.10040	3.7
297.03888	8.5
297.07535	10.1
297.11133	7.4
298.04675	6.7
299.05325	3.3
299.14368	4.1
299.17850	6.7
300.06476	3.3
301.07095	37.0
303.06088	4.7
303.09113	3.4
304.07111	6.3
305.04645	4.7
305.08148	8.2
306.05234	3.8
306.08615	5.8
307.05908	10.2
307.09616	21.0
308.06668	5.6
308.10141	4.3
309.03918	8.6
309.07498	14.0
309.10974	4.9
310.08185	7.8
311.05466	14.0
311.08838	4.4
312.06131	10.1
312.09488	3.2
313.07034	15.1
314.16864	3.1
314.20276	6.9
315.08548	8.5
319.05899	7.3
320.06638	7.0
321.07516	21.2
322.08075	8.7
323.05603	3.7
323.09076	18.2
324.06158	7.9
324.09860	8.8
325.06915	7.1
325.10663	16.6
327.12421	4.9
328.09161	2.8
329.06552	5.5
331.06027	3.3
333.07397	3.3
334.08408	2.8
335.09073	21.2
336.09924	12.3
337.06955	7.9
337.10608	10.7
338.07455	4.4
339.08975	14.4
339.11801	12.6
340.09216	4.7
341.10242	3.5
343.08102	5.4
349.07071	4.6
351.08655	6.8
352.09372	9.7
353.10226	25.1
355.11807	5.8
357.13327	9.8
363.08456	5.1
365.10175	6.2
367.11856	25.9
368.12271	4.5
377.09885	4.8
381.09628	8.2
383.11252	59.8
384.11673	7.5
385.12778	22.5
386.13235	3.4
395.11456	17.4
413.12241	100.0
413.20673	8.6
413.25394	25.1
414.12482	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1233
Annotation	Aklavinone
Peak:m/z	Relative Intensity
55.01868	3.8
55.05507	7.3
67.05501	14.2
68.99793	10.4
69.03434	2.8
69.07080	5.4
71.30402	3.5
75.04489	2.4
75.59332	2.0
79.05500	8.3
81.07050	13.3
83.04970	12.8
91.05490	12.2
93.07030	18.8
95.04982	6.9
95.08617	19.8
97.06508	2.9
99.04453	2.8
102.20755	2.0
105.07012	22.5
107.08599	16.3
109.10174	8.5
111.08094	3.6
115.03909	18.3
117.07033	5.0
119.04935	2.1
119.08582	23.0
119.88332	2.4
120.08891	2.8
121.06528	3.5
121.10165	9.9
123.08060	3.6
125.06093	2.9
128.06235	2.5
129.07016	5.3
131.08600	10.0
133.06461	2.5
133.10141	23.8
135.08075	4.9
135.11667	3.0
139.07501	2.3
141.09100	2.5
142.07765	4.3
143.03410	19.8
143.08536	11.6
145.10109	13.4
147.07996	4.3
147.11696	9.0
149.13307	3.7
152.06248	3.0
153.07004	3.5
155.08566	4.7
156.09351	4.0
157.10136	12.8
159.08109	4.3
159.11714	15.3
161.09685	4.1
161.13283	4.3
163.11244	3.7
165.07042	10.0
166.07771	3.0
167.08577	5.5
169.10078	11.5
171.11702	8.0
173.09579	3.5
173.13274	3.0
175.03970	3.2
175.11205	5.8
176.06241	3.5
177.12732	3.0
178.07761	6.0
179.08577	7.2
179.10686	3.6
180.05843	3.0
181.06583	3.6
181.10178	5.4
183.11662	5.0
185.05751	2.1
185.09659	3.0
185.13306	6.1
187.11150	3.5
187.14845	4.1
189.07022	18.7
189.12708	3.2
190.07732	7.4
191.08530	5.9
193.06514	4.3
193.12289	5.5
195.11729	4.3
195.13774	3.0
199.03900	5.3
199.14870	3.9
201.12828	2.8
203.08664	2.4
205.06441	6.9
206.07224	5.5
207.08089	9.8
207.11687	5.8
209.05826	2.5
209.13263	5.0
211.14783	3.7
212.04700	3.8
213.05594	5.9
213.07614	5.5
213.12767	3.7
213.16463	3.8
215.14342	4.3
217.06511	13.8
217.15950	2.5
218.07274	8.0
219.08052	8.1
219.11893	2.4
219.13692	2.3
220.05173	4.4
221.06038	9.8
221.13332	3.7
222.06721	4.7
223.03889	2.7
223.07573	5.1
223.11151	2.3
227.03419	4.4
231.13745	2.9
233.05984	7.2
233.15382	3.7
234.06688	10.2
235.07535	10.2
236.04593	3.6
237.05452	5.1
237.09097	5.4
237.16443	6.3
238.06250	4.2
239.07027	10.6
239.17982	2.2
243.11734	4.0
244.12418	2.5
245.05945	12.9
245.13362	3.5
246.06714	6.2
247.07521	10.0
249.05438	22.2
250.06306	12.7
251.06946	12.7
253.05009	2.6
253.08426	4.7
255.17509	6.4
257.13245	5.4
261.05362	5.4
262.06281	9.7
263.07028	21.5
264.04587	2.8
264.07666	5.8
265.05109	5.7
265.08633	7.6
266.05814	7.9
266.09125	3.2
267.03220	2.9
267.06351	7.1
269.08179	2.6
271.06082	2.7
271.14801	4.1
273.05441	9.1
273.16071	3.2
273.18723	12.3
274.06244	4.5
275.07016	23.7
276.04364	3.1
276.07724	12.5
277.04971	10.1
277.08618	19.5
278.05688	11.4
278.08801	3.7
279.06470	25.7
280.07156	4.4
281.04480	5.8
281.08078	3.1
284.15826	2.2
287.07135	3.7
288.04187	4.7
288.07687	3.2
289.04922	8.4
290.05777	5.7
291.03302	3.2
291.06497	16.3
292.07230	12.5
293.04639	3.6
293.07990	20.4
294.08832	4.6
295.06006	6.6
295.09711	2.9
297.04401	2.8
297.07571	7.4
297.18576	2.6
299.17596	3.2
301.04651	3.0
302.05725	4.3
303.06549	36.8
304.07156	14.5
305.04456	10.4
305.08096	20.0
306.05362	3.2
306.08768	3.0
307.06039	5.8
307.09598	6.6
308.06717	4.7
309.07458	4.0
310.08582	2.5
314.20169	5.1
317.08197	3.2
318.05185	5.2
319.05927	7.2
320.06696	16.5
321.07574	32.3
322.08197	6.8
323.05536	2.4
323.09161	5.5
325.10599	4.4
331.05984	15.3
332.06238	3.0
333.04001	3.6
333.07434	13.3
335.05414	3.7
335.09070	26.1
336.09879	2.9
339.08606	8.3
345.07623	21.5
348.06268	4.9
349.06995	9.7
350.07654	2.8
351.08652	9.1
353.10229	9.7
363.08615	100.0
364.08957	10.0
365.10208	4.5
367.11816	3.6
367.26654	2.8
377.10248	5.8
377.24799	9.1
381.09689	30.4
394.28302	3.7
395.11279	33.4
395.25784	7.9
396.11566	3.5
413.12277	15.7
413.24295	34.9
414.25024	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1415
Annotation	t(6)a
Peak:m/z	Relative Intensity
56.05037	0.7
57.03436	0.4
69.44321	0.5
70.06588	1.0
74.06087	2.2
98.22547	1.1
102.05568	1.0
119.03560	3.5
120.06582	9.4
123.04418	0.8
136.06187	100.0
137.04596	2.1
137.06580	0.9
139.03931	0.4
160.19405	0.4
162.04115	66.1
163.04333	1.8
186.16954	0.5
228.99110	0.5
252.12245	1.7
261.06552	0.9
281.09927	50.8
282.10107	1.9
348.20486	0.5
413.14203	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16752	0.3
58.51068	0.3
62.60611	0.4
69.31231	0.4
69.70541	2.1
69.70819	0.4
78.73438	0.3
83.01077	0.4
86.22191	0.4
95.01094	1.3
96.01921	0.4
112.04890	0.4
113.02126	1.4
136.06152	0.7
157.04720	0.5
161.98714	0.4
176.04504	1.0
185.04233	2.4
199.64636	0.4
201.03735	0.9
243.08455	0.5
251.09000	1.6
259.07962	0.6
413.14191	100.0
414.14545	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23134	0.6
62.01601	0.5
67.05506	0.6
70.52896	1.4
72.42624	0.5
81.07074	0.7
91.05479	1.0
92.99310	0.5
93.05515	0.5
93.07025	1.0
99.30598	0.5
105.07027	1.1
109.10115	0.8
119.08609	0.8
131.08612	0.6
137.05991	0.9
143.08624	0.6
151.07558	0.9
151.09508	0.5
159.11699	1.1
161.13249	1.3
173.09583	0.7
175.11349	0.5
186.77737	0.6
187.03711	1.6
202.06010	15.8
203.06590	1.6
233.07899	0.7
233.15343	1.2
247.13197	0.6
251.12546	8.7
251.16449	1.1
271.51108	0.5
279.06674	0.6
312.14166	0.5
413.15668	100.0
414.15985	11.2
414.24863	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19166	0.3
53.17397	0.3
69.47048	2.0
73.87542	0.3
83.04902	0.5
88.09006	0.3
176.63062	0.4
179.08278	0.3
195.07930	0.6
203.08389	0.4
205.06367	0.5
206.07166	0.4
207.07945	0.7
208.08702	0.4
209.09488	0.5
211.07370	0.7
218.07146	0.7
219.07945	1.4
220.08704	0.8
221.06085	0.4
221.09544	0.7
222.06546	0.5
223.07454	0.8
224.08142	0.5
225.08919	0.6
231.07918	0.9
232.08775	0.4
233.05908	0.7
233.09546	1.8
234.06589	1.4
234.10115	0.7
234.84984	0.4
235.07506	2.1
235.11127	0.4
236.08080	1.0
237.08876	1.1
238.06145	0.7
238.09756	0.5
239.06984	0.6
247.07570	2.4
248.08286	3.4
249.05431	1.0
249.09053	4.4
250.06155	0.9
250.09892	2.7
251.06889	1.1
251.10759	2.0
251.13011	0.5
252.07646	0.9
253.08475	1.5
253.11891	0.3
254.05695	0.5
255.06433	0.7
255.09685	0.3
260.08243	0.7
261.05417	0.6
261.09024	2.0
262.09760	2.0
263.07150	3.6
263.10498	2.6
264.07669	3.4
264.11267	1.5
265.08612	3.2
265.12122	2.1
266.09244	1.4
267.06387	0.5
267.10123	0.7
268.07135	0.5
269.08099	1.5
275.06931	1.2
275.10233	0.5
276.07672	1.3
277.05493	0.4
277.08575	5.9
278.06171	0.6
278.09326	5.8
279.06491	1.6
279.10022	4.8
280.07166	1.4
280.10779	2.0
281.07965	1.3
281.11642	1.4
282.08875	0.8
283.09570	1.1
285.07428	0.5
288.07684	0.4
289.08514	0.9
290.09280	0.9
291.06418	2.0
291.10043	3.4
292.07184	1.1
292.10800	2.3
293.07983	3.3
293.11615	7.1
294.08740	1.5
294.12219	1.1
295.06357	0.3
295.09555	6.0
295.13187	1.5
296.10095	0.9
297.07407	0.9
299.09088	1.4
303.06702	0.5
303.10144	1.1
304.07217	0.8
305.08038	3.4
306.08771	3.9
307.05991	1.4
307.09583	8.3
307.12759	0.3
308.10284	2.6
309.07425	1.0
309.11124	4.8
310.08289	0.8
310.11725	0.7
311.09006	0.8
311.12537	0.5
312.06586	0.4
312.10043	1.8
313.10706	0.4
314.45404	0.4
318.08597	0.6
319.09662	1.8
320.06714	0.6
320.10278	3.5
321.07477	2.6
321.11148	12.5
322.08276	2.5
322.11887	5.6
323.09018	2.0
323.12711	9.9
324.09647	1.0
324.13324	1.5
325.10571	1.1
326.07684	0.6
329.10117	0.7
333.11197	1.2
334.08279	0.9
335.09042	1.2
336.10025	2.5
337.07034	0.5
337.10614	6.4
338.11365	1.3
339.12320	2.9
340.12915	0.8
342.10608	0.4
343.11844	0.8
345.09598	0.5
349.10635	4.8
350.11447	1.1
351.12271	9.9
352.09244	0.5
352.13034	6.4
353.10013	1.2
353.13782	3.9
355.11569	0.8
355.15460	0.6
364.13025	1.4
365.09897	0.6
365.13852	1.0
367.11761	20.8
368.12323	4.2
371.15295	0.4
381.13364	0.6
382.14093	100.0
383.14532	11.5
395.14966	1.1
398.13684	1.4
413.15967	12.1
414.16339	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49091	0.8
55.05505	1.1
61.09874	0.9
69.09220	1.7
69.09619	6.9
75.04463	1.0
83.04971	3.1
86.52292	0.8
138.78136	0.9
165.07027	0.9
169.06480	0.9
178.07768	2.0
179.08597	1.6
181.06435	1.3
182.07188	0.9
183.07944	1.0
191.08478	1.5
193.06564	1.6
193.09991	1.3
195.07973	2.2
202.07716	1.7
203.08379	1.0
205.06488	1.6
206.07259	1.6
207.08078	2.6
208.08804	2.8
209.06119	1.0
209.09639	1.2
210.06723	1.6
211.07408	1.7
214.05902	1.0
215.08688	1.1
218.07242	2.6
219.08078	6.9
220.08826	2.9
221.06015	2.0
221.09526	4.7
222.06636	1.7
222.10291	1.8
223.07526	3.0
223.11139	2.2
224.08315	4.1
225.09019	1.6
231.08060	1.5
232.08830	2.1
233.06006	3.2
233.09674	3.9
234.06732	4.3
234.10364	1.5
235.07483	8.8
235.11165	2.1
236.08199	4.9
237.05479	2.2
237.09077	4.0
238.06226	2.2
238.09868	1.9
239.07001	3.0
239.10660	2.9
240.07761	1.2
241.08600	1.2
245.09555	1.0
246.06822	1.2
247.07533	7.8
248.08287	11.0
249.05502	3.1
249.09084	18.2
250.06192	2.5
250.09854	3.3
251.07037	5.8
251.10674	7.0
252.07767	4.1
252.11201	1.1
253.04776	1.3
253.08537	3.5
253.12219	1.7
254.09476	2.4
255.06537	2.2
259.07635	1.3
261.05374	1.4
261.09088	5.9
262.06192	3.3
262.09805	3.6
263.07083	10.7
263.10577	7.5
264.07794	17.8
264.11365	3.3
265.05481	1.5
265.08575	11.8
265.12158	3.0
266.06046	1.3
266.09360	4.6
267.06653	5.6
267.09845	5.2
268.07269	1.3
268.10800	2.0
269.08063	2.6
269.11789	1.1
275.07111	2.4
276.07751	2.3
276.11325	1.0
277.05359	1.8
277.08551	14.8
278.06174	1.9
278.09305	12.6
279.06567	7.9
279.10156	29.7
280.07300	5.2
280.10803	6.5
281.08020	4.5
281.11554	5.4
282.05249	1.1
282.08746	3.5
282.12207	1.1
283.06177	1.0
283.09573	2.2
285.07581	1.5
288.07733	1.2
289.08649	1.8
290.09317	2.4
291.06476	7.2
291.10117	9.9
292.07233	6.5
292.10803	5.4
293.08044	10.2
293.11673	11.8
294.08810	8.2
294.12442	12.4
295.06046	4.7
295.09641	15.2
295.13211	6.4
295.56329	0.9
296.06830	1.3
296.10291	2.3
296.13742	1.8
297.07492	4.1
297.11179	5.9
298.08197	1.5
299.09073	1.3
299.12775	1.2
303.06647	1.1
304.07309	1.6
304.10645	1.5
305.08044	5.9
305.11447	1.7
306.08908	8.8
306.12238	1.6
307.06085	4.2
307.09607	37.5
308.06735	2.0
308.10254	8.6
309.07513	4.4
309.11209	16.9
310.08316	17.3
310.11859	7.8
311.09045	3.9
311.12808	2.5
312.09824	4.3
312.13260	1.1
313.06992	1.2
313.10440	2.1
317.07898	1.6
318.08801	1.6
319.06104	1.2
319.09616	3.8
320.10254	5.1
321.07513	4.4
321.11194	12.2
322.08237	5.0
322.11963	12.9
323.09085	8.5
323.12741	16.3
324.09836	5.2
324.13550	7.1
325.06998	3.4
325.10681	19.2
325.14352	2.6
326.11136	1.3
329.10193	2.1
333.07465	1.7
333.11145	2.7
334.08359	1.4
334.12091	1.3
335.08966	3.0
335.12680	1.2
336.09961	6.4
337.10678	41.8
337.14151	2.0
338.07767	1.3
338.11307	8.2
339.08450	1.6
339.12238	8.2
340.09506	1.6
340.13095	6.6
341.10025	1.2
341.13736	2.6
343.11670	1.9
345.09760	1.3
347.40610	0.9
349.10641	6.2
350.11356	2.4
351.08481	1.2
351.12378	12.1
352.13043	100.0
353.10046	12.0
353.13736	32.3
354.10580	1.7
354.14389	5.3
355.11755	6.1
355.15274	5.3
356.12222	2.6
364.13022	3.6
367.11761	9.5
368.12515	43.2
369.12836	4.2
371.15070	4.9
381.13251	1.4
382.14084	34.5
383.14877	89.9
384.15375	7.9
395.14871	8.7
398.13553	3.0
413.16034	17.9
433.18839	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
71.32471	2.9
74.65159	1.6
75.04498	2.2
81.07081	2.3
91.05474	1.7
95.08609	1.8
102.19778	1.6
111.54410	1.8
119.08584	2.9
179.08504	2.1
181.06517	1.8
207.08211	2.9
208.08632	2.0
209.05750	2.3
209.09654	4.1
210.06866	2.4
213.08899	1.7
220.05417	2.0
221.09534	3.6
222.06691	3.7
223.07567	4.2
224.08365	3.4
225.09158	4.4
226.06160	1.8
234.06709	2.9
235.07487	8.2
236.08223	4.9
237.09015	3.3
238.06320	2.1
238.09836	2.1
239.07022	2.4
239.10573	5.7
240.07680	4.1
241.08632	3.9
249.05432	1.8
249.09077	6.9
250.06169	3.2
250.09822	5.0
251.07065	7.5
252.07703	5.5
253.08464	5.3
254.05743	2.2
254.09329	3.6
255.06465	3.2
255.10190	4.9
262.06104	2.2
263.07007	7.6
263.10583	2.0
264.07834	5.4
265.08554	13.6
266.05701	4.2
266.09396	7.1
267.06558	6.8
267.10095	13.8
268.07263	6.3
269.08099	5.4
269.11795	2.2
270.08838	2.3
271.06033	3.3
277.05066	2.5
277.08591	7.3
278.09329	4.4
279.06516	7.8
279.10178	6.5
280.07242	5.1
280.10889	5.1
281.04819	3.2
281.08084	12.7
281.11380	4.1
282.08887	8.7
282.12411	7.2
283.09723	8.5
284.06812	7.2
285.07486	7.5
292.07263	3.3
293.08035	12.1
293.11072	2.2
294.08789	8.7
295.06030	5.9
295.09644	25.8
295.13049	3.1
296.06750	10.3
296.10092	3.9
297.07529	7.5
297.11169	14.7
298.08368	8.0
298.11887	4.6
299.05511	6.0
299.09137	9.7
306.09113	2.4
307.06332	2.2
307.09650	10.5
308.06802	3.3
308.10324	9.0
309.07523	13.0
309.11176	16.0
310.08350	9.2
310.12003	11.0
311.05856	2.3
311.09064	14.2
311.12738	6.1
312.09753	5.1
312.13300	3.6
313.07059	6.0
313.10632	6.6
313.14288	5.3
314.07718	6.6
321.07565	3.9
323.05579	2.8
323.09103	8.9
324.09839	7.7
325.07162	3.3
325.10678	34.0
326.11383	8.5
327.08685	5.8
328.09396	3.7
329.10248	23.5
336.10056	2.6
337.10632	6.8
338.11414	12.3
339.08487	10.8
339.12256	20.7
340.09418	4.2
340.13040	74.7
341.10104	12.6
341.13763	31.8
342.10925	11.4
343.11761	30.2
349.10684	2.8
350.11340	4.6
351.08441	2.9
351.12366	5.7
353.09824	8.7
354.10822	8.0
355.11743	16.4
355.15680	3.1
356.12573	28.5
364.13058	3.3
367.11807	23.2
368.12491	3.7
369.13327	68.9
369.18042	3.5
370.13867	7.4
371.14893	100.0
372.15308	9.2
381.13071	6.2
382.14133	27.9
383.10605	3.8
383.11609	2.3
383.15054	11.8
398.13657	9.0
413.16031	20.0
414.15884	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12763	0.4
57.09454	0.4
67.03560	0.4
69.03436	1.1
71.29649	0.7
73.02921	0.8
85.02905	1.9
97.02923	0.6
97.33418	0.4
107.08553	0.5
124.75130	0.5
145.10196	0.5
157.10060	0.6
203.05267	1.2
209.30019	0.4
215.14290	0.7
217.57993	0.4
233.15500	0.8
251.05635	0.4
251.16440	0.9
251.96065	0.4
413.21481	100.0
414.21790	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2146
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
53.30555	0.2
61.28041	0.2
69.21700	1.7
69.22030	0.3
69.79240	0.2
74.20496	0.2
76.27857	0.2
85.02912	0.6
85.08868	0.2
98.22640	0.5
105.06991	0.3
107.08607	0.3
125.60152	0.3
130.67462	0.2
145.04901	0.3
182.10695	0.2
184.07344	0.4
196.85060	0.2
203.05318	0.7
233.15347	0.4
251.16351	0.5
395.20554	0.5
413.21457	100.0
414.21826	8.1
414.26361	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.215
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
55.05509	0.4
67.05493	0.8
69.03423	0.6
69.07066	0.5
69.10033	1.5
69.10465	1.6
75.14137	0.3
79.05486	0.6
81.03392	0.4
81.07065	0.8
85.02912	0.8
91.05500	0.6
93.07047	1.1
95.08604	1.1
97.06505	0.3
105.07052	0.9
107.04887	0.3
107.08611	1.2
109.06573	0.5
109.10143	0.6
119.08633	0.5
121.10144	2.1
125.05975	1.0
133.10158	0.5
135.11736	0.5
143.08459	0.4
145.10121	0.9
149.06023	0.4
151.03934	0.7
159.08078	0.5
163.11136	0.5
173.09647	0.6
175.07512	0.5
177.09106	0.4
189.09048	0.4
191.10576	0.4
195.06602	1.5
203.05313	1.0
213.07626	1.2
233.15230	2.4
251.12668	9.5
251.16307	3.5
267.60812	0.3
287.05402	0.4
331.84860	0.4
339.12454	1.0
381.13571	0.5
382.14038	0.5
413.21503	100.0
414.21924	7.2
432.04074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2144
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
66.68150	0.3
69.03431	0.3
69.85549	1.0
69.85905	0.5
71.05020	0.3
80.18562	0.2
85.02905	0.8
95.04945	0.3
105.15867	0.2
105.77688	0.3
130.70352	0.3
143.76807	0.2
186.09129	0.8
203.05247	1.3
251.09131	0.4
311.89114	0.3
360.70749	0.3
413.21457	100.0
414.21802	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2167
Annotation	Plucheoside A
Peak:m/z	Relative Intensity
55.01871	1.9
55.05513	2.0
57.03432	1.5
59.05000	7.4
61.02925	1.3
63.16265	1.1
67.05517	1.3
69.03426	4.5
70.42856	3.1
72.34396	1.0
74.02245	1.2
74.17304	1.1
79.05501	1.3
81.03407	1.8
81.07048	3.2
83.04996	1.1
83.30503	1.1
85.02905	12.4
85.06536	2.4
86.18159	1.3
93.07023	2.4
95.08633	3.2
97.02917	3.0
97.06515	2.0
105.07054	5.8
107.08609	3.5
109.06522	1.4
111.08103	3.2
117.06989	1.6
119.08582	6.0
121.06495	1.7
121.10146	2.8
122.10344	1.1
123.08141	1.2
127.03972	1.7
131.08643	3.5
133.10155	2.9
135.08052	2.5
142.07742	1.7
143.08578	2.7
145.04988	2.8
145.10112	11.7
147.11687	2.4
149.09616	2.0
150.86467	1.1
157.10123	2.8
159.11707	8.1
160.08891	1.5
161.09578	1.1
163.11208	1.4
171.11694	2.0
173.09607	6.3
173.13255	7.4
175.11195	18.9
187.11176	5.8
187.14819	5.1
189.12737	3.4
190.13510	4.0
191.14297	13.4
197.13264	1.8
203.05322	3.1
205.15916	2.1
215.14302	11.3
233.15364	24.7
251.16425	100.0
252.16753	4.9
267.09094	1.2
413.21509	32.0
414.21667	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2168
Annotation	Pterodontoside B
Peak:m/z	Relative Intensity
53.25939	2.4
57.03433	3.0
67.05497	8.8
69.03412	3.9
69.07042	4.4
70.09325	7.9
79.05497	8.3
81.07059	16.0
83.08609	3.1
85.02908	7.2
91.05479	14.9
93.07053	12.9
95.08598	20.3
97.02882	3.7
105.07047	18.5
107.04964	3.0
107.08590	10.4
109.10163	8.8
111.08080	3.2
117.07046	5.5
119.08566	9.9
119.09354	2.5
121.10153	7.0
125.06002	3.0
127.03916	4.1
129.06949	2.5
131.08589	17.1
133.10115	6.0
135.11774	2.8
137.06061	2.8
141.79767	2.5
142.07793	5.0
143.08525	2.7
145.10114	12.4
147.11668	22.5
149.09634	3.5
149.13281	4.6
151.07558	2.8
157.10143	5.3
159.11777	3.2
161.92081	2.5
163.07549	2.9
175.11230	5.3
177.09126	3.6
177.16333	3.5
181.70735	2.9
187.14790	17.3
197.13228	3.3
205.04974	3.5
205.15904	22.4
215.14349	6.2
233.15347	50.0
251.16356	10.0
262.65118	2.8
287.05548	5.5
343.48389	2.7
413.21423	100.0
413.26666	5.4
414.15652	4.4
414.21548	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.8
65.03936	0.4
67.05502	1.6
69.03410	1.0
69.07051	0.5
69.22892	0.5
69.23301	1.3
79.05491	1.7
81.07051	1.3
81.15982	0.2
83.04949	0.6
85.06512	0.2
87.04477	0.4
91.05483	3.2
93.07040	3.0
95.04947	0.7
95.08610	1.9
97.02861	0.4
97.06487	0.3
99.04440	0.4
103.05439	0.3
105.07032	4.3
107.08595	3.0
108.08891	0.2
109.06487	0.3
109.10152	0.5
111.04426	0.7
111.08083	0.4
113.06010	0.4
115.05466	0.8
116.06205	0.4
117.07021	1.9
119.08585	3.1
120.30913	0.2
121.06467	0.4
121.10142	0.8
123.04372	0.3
123.08109	0.4
128.06203	2.4
129.07013	3.0
130.07761	0.9
131.07674	0.4
131.08557	3.7
133.06525	0.4
133.10098	1.5
135.08096	0.3
141.06981	3.4
142.07806	2.5
143.08560	5.7
144.09280	0.7
145.06503	0.6
145.10132	4.1
146.10455	0.2
147.08035	0.8
147.11664	0.9
149.09624	0.3
152.06178	0.5
153.07008	1.5
154.07764	3.6
155.05995	0.4
155.08549	3.8
156.09352	5.6
157.10118	5.1
158.07286	0.3
158.10809	0.3
159.08035	0.9
159.11687	2.0
161.09616	0.8
165.06998	1.8
166.07761	0.6
167.08554	4.4
168.09364	1.4
169.10124	31.3
170.10435	2.2
171.08086	1.5
171.11688	11.0
172.08841	0.6
172.12196	0.4
173.09615	3.1
173.13255	0.7
175.11208	0.7
178.07747	0.7
179.08527	3.6
180.09348	2.0
181.10077	2.2
182.10887	1.6
183.11681	3.0
185.09624	1.4
185.13264	1.3
187.11256	1.6
189.09120	0.9
191.08556	1.7
191.10701	0.9
192.09341	1.7
193.08557	0.3
193.10147	3.5
194.10876	3.0
195.08127	0.3
195.10143	0.2
195.11681	5.3
196.12285	0.5
197.09569	0.4
197.13251	2.3
199.11182	0.4
202.07793	0.3
203.08557	0.9
204.09290	0.7
205.10205	2.5
205.12079	0.6
206.10912	8.3
207.11665	5.2
208.08810	0.3
208.12404	1.4
209.09778	0.4
209.13245	6.8
210.13922	1.0
211.11237	1.2
211.14723	1.6
213.12862	0.5
215.08530	0.3
216.09309	0.4
217.10123	1.6
218.10950	1.4
219.11642	3.6
220.12456	2.0
221.13248	25.6
222.10368	0.3
222.13629	1.8
223.11215	2.0
223.14789	2.2
224.15456	0.5
225.12753	1.0
228.09360	0.5
229.10216	1.6
229.12241	0.4
230.10866	1.2
231.11650	2.4
232.12451	1.8
233.09659	0.3
233.13206	4.3
234.13925	0.6
235.14796	2.2
237.12752	1.0
237.16451	0.5
239.14401	0.6
241.12366	0.6
242.10880	0.8
243.11673	3.0
244.12445	2.2
245.13242	2.9
246.14041	1.3
247.14833	3.8
248.15234	0.4
249.16316	0.3
253.12265	0.7
255.11577	0.6
256.12537	1.1
257.13232	2.1
258.13947	2.0
259.14767	4.2
260.15549	0.8
261.16336	1.1
263.07123	0.3
263.14294	0.4
267.06635	0.4
267.11758	0.4
268.12387	0.7
269.13190	1.6
270.13980	1.2
271.14780	2.2
272.15659	1.2
273.16364	3.7
274.17038	1.0
275.14487	0.5
275.17877	1.0
279.06400	0.3
281.13272	0.8
282.13968	0.7
283.14651	1.1
284.15579	1.7
285.16290	1.7
286.17108	0.7
287.15030	0.4
287.17883	2.1
288.18582	0.7
289.16022	0.3
289.19202	0.3
290.20337	0.3
293.07901	0.3
293.13074	0.3
295.06049	0.3
295.14722	0.7
296.15546	0.6
297.16217	1.2
298.17151	0.6
299.17868	3.8
300.18637	1.0
301.19382	1.9
303.21021	1.4
307.06158	0.3
309.12970	0.5
309.16449	0.7
310.17084	0.6
311.17908	0.8
312.18683	0.6
313.06876	0.4
313.19540	0.9
314.20340	1.4
315.20987	2.2
316.21536	0.5
319.14505	0.3
323.09113	0.8
323.17783	0.5
324.09546	0.3
324.15134	0.3
325.10849	0.3
325.15781	0.5
325.19281	0.5
326.20160	0.4
327.13739	0.3
327.21048	0.3
337.19333	0.4
339.17371	0.5
339.20990	0.8
340.15170	0.3
341.10214	0.3
343.17130	0.3
351.17288	0.4
353.10135	0.8
353.18918	0.4
357.18423	1.0
362.20224	0.4
365.18845	0.7
367.24152	0.7
371.19611	0.4
377.22690	0.8
380.21414	0.4
383.19946	1.4
384.20804	0.4
385.25262	0.3
395.23676	2.9
396.23969	0.5
398.22223	1.3
413.24734	100.0
414.25079	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
54.35735	0.3
55.05508	0.6
57.03439	0.3
59.04991	0.4
65.03919	0.3
67.05493	1.1
69.03419	0.8
69.07072	0.5
79.05486	1.6
80.39890	0.3
81.07040	1.4
87.04433	0.3
91.05474	2.9
93.07031	2.4
95.04977	0.8
95.08614	1.7
96.94015	0.3
97.06499	0.3
105.07037	3.6
107.08589	2.7
107.69350	0.3
108.95900	0.3
109.10132	0.4
111.04426	0.7
115.05453	0.8
117.07034	1.6
119.08576	2.2
121.06540	0.4
121.10175	0.6
123.04398	0.3
123.08015	0.3
128.06252	1.9
129.07010	3.0
130.07748	0.9
131.08574	2.9
133.10106	1.3
135.08023	0.4
141.06989	3.4
142.07787	2.7
143.08554	4.0
144.09312	0.8
145.06427	0.4
145.10117	4.2
147.08083	0.7
147.11694	0.8
147.92607	0.3
152.06255	0.4
153.07019	1.3
154.07758	3.6
155.08556	3.8
156.09344	4.6
157.10133	3.6
158.07329	0.5
159.08070	0.8
159.11685	2.0
161.09642	0.8
165.07022	2.1
166.07820	0.4
167.08572	4.2
168.09348	1.4
169.10123	31.1
170.10454	1.5
171.08055	1.0
171.11682	9.0
171.13080	0.5
172.12201	0.5
173.09633	3.5
173.13272	0.8
175.11159	0.8
178.07880	0.5
179.08536	2.6
180.09373	1.7
181.10172	2.2
182.10887	1.0
183.11658	3.3
185.09578	0.9
185.13240	1.3
187.11169	1.7
189.09135	1.1
191.08580	1.7
191.10732	1.0
192.09396	1.6
193.10132	3.0
194.10904	2.2
195.08026	0.5
195.11690	3.5
196.12277	0.4
197.09583	0.6
197.13205	2.8
199.11264	0.5
199.14848	0.4
203.08524	0.6
203.10565	0.4
204.09337	0.4
205.10138	1.8
205.12070	0.6
206.10889	8.4
207.11671	4.6
208.12395	1.3
209.13248	6.6
210.13887	1.1
211.11162	1.2
211.14798	1.4
213.12753	0.6
215.10692	0.4
216.09288	0.3
217.10117	1.3
218.10898	0.7
219.11668	3.1
220.12440	2.1
221.13240	28.3
222.13582	1.7
223.11168	1.5
223.14735	2.4
224.15344	0.4
225.12769	0.9
229.10175	1.4
229.12123	0.4
230.10854	1.3
231.11696	1.9
232.12492	1.6
233.13239	4.6
234.13849	0.6
235.14803	2.2
236.15311	0.3
237.12766	0.7
237.16406	0.5
239.14355	0.3
241.12198	0.4
242.11021	0.9
243.11606	1.7
244.12421	2.3
245.13264	2.4
246.14052	0.8
247.14839	3.8
248.15300	0.4
249.16464	0.6
253.12267	0.5
255.11620	0.5
256.12421	0.8
257.13235	2.0
258.13962	1.9
259.14819	3.3
260.15494	0.9
261.16357	1.2
267.11929	0.4
268.12558	0.6
269.13272	1.3
270.14050	0.9
271.14761	1.6
272.15509	1.0
272.32736	0.3
273.16367	3.7
274.01733	0.3
274.17242	0.7
275.17984	0.9
281.13184	0.5
282.13937	0.6
283.14670	1.4
284.15552	1.0
285.16223	1.6
286.17126	1.0
287.17819	2.0
288.18695	1.2
289.16064	0.3
291.13837	0.3
295.14865	0.5
297.16345	1.3
298.16873	0.7
299.17880	2.8
300.18680	1.1
301.19513	1.3
303.21115	1.3
309.13046	0.3
309.16373	0.9
310.17072	0.7
311.18002	0.8
313.19476	1.0
314.20166	1.1
315.21008	2.3
316.21600	0.6
323.09277	0.5
325.19586	0.6
327.20810	0.6
339.17227	0.5
339.21030	0.8
347.18164	0.4
353.18585	0.6
357.18613	0.8
362.20074	0.3
365.19214	0.4
367.24222	0.7
369.18347	0.4
377.22598	0.5
383.20038	1.4
395.23654	2.5
398.22284	1.1
413.24728	100.0
414.25064	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28953	0.3
55.01860	0.3
55.05508	2.2
56.05120	0.3
62.03006	0.3
67.05506	2.1
69.03422	0.5
69.07076	0.9
70.48525	0.3
77.15958	0.3
79.05487	1.5
79.94543	0.4
81.07052	2.0
82.46338	0.4
83.04987	5.4
84.05252	0.4
91.05497	2.6
93.07044	3.4
94.07362	0.4
95.04987	1.0
95.08603	3.0
97.06530	0.3
99.04433	0.4
101.51236	0.3
105.07025	3.0
107.08582	1.9
109.10159	0.6
111.04420	1.8
111.08074	1.1
113.06007	0.4
115.05505	0.5
117.07044	1.0
119.08582	2.3
121.10141	0.6
125.05986	0.4
128.06195	0.8
129.07011	1.3
131.08588	1.7
133.10153	1.5
135.11687	0.5
137.92403	0.3
141.07005	1.4
142.07822	0.7
143.08534	1.3
144.09335	0.8
145.10139	2.1
147.11690	0.8
153.06998	1.1
154.07747	3.1
155.08528	1.1
156.09326	0.6
157.10152	1.0
159.11713	1.3
163.11226	0.5
165.07019	1.2
166.07753	0.4
167.08583	4.7
168.09288	1.1
169.10129	24.4
170.10533	1.4
171.11717	0.9
175.11160	0.3
178.07805	0.6
179.08548	4.7
180.09378	0.7
181.10181	1.7
183.11676	1.5
191.08606	0.8
192.09331	4.8
193.10107	2.6
194.10899	4.5
195.11656	1.2
197.13255	0.5
202.07695	0.4
203.08611	0.6
204.09190	0.7
205.10124	1.3
206.10905	6.0
207.11681	9.2
208.12401	2.0
209.13248	6.8
210.13667	0.7
216.09416	0.8
217.10135	1.0
218.10933	1.3
219.11668	2.1
220.12494	2.5
221.13213	8.1
222.13802	0.7
229.10109	3.1
230.10803	1.6
231.11665	2.2
232.12497	1.2
233.13248	3.1
234.13869	0.5
235.14830	1.3
241.10225	0.4
242.10774	1.6
243.11684	5.3
244.12422	4.7
245.13225	2.5
246.14059	1.1
247.14766	2.1
255.11647	0.9
256.12457	2.4
257.13223	6.7
258.13980	6.1
259.14813	6.6
260.15475	1.1
261.16394	0.5
268.12442	0.4
269.13242	2.9
270.14090	3.6
271.14783	5.0
272.15533	3.6
273.16376	4.5
274.17188	2.2
275.17773	0.9
281.13297	0.6
283.14844	1.0
284.15570	4.2
285.07813	0.4
285.16345	4.2
286.17017	1.4
287.17908	1.5
297.16412	0.6
298.17166	0.9
299.17917	9.6
299.21100	0.7
300.18475	1.2
301.19531	1.3
302.20200	0.5
312.18762	0.6
313.19534	1.2
314.20184	4.4
315.20706	0.8
325.19479	0.8
398.22342	0.5
413.13397	2.6
413.24747	100.0
414.19479	0.8
414.25064	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.05507	3.2
67.05498	3.7
69.03437	0.6
69.07077	0.5
69.61651	1.2
69.62038	0.8
79.05508	1.8
81.07059	2.1
82.86760	0.4
83.04981	8.2
84.22867	0.4
87.09981	0.4
91.05475	4.7
93.07041	6.6
94.07365	0.4
95.04980	1.4
95.08608	6.9
97.02891	0.3
97.06542	0.6
98.23346	0.4
105.07030	4.2
107.08567	3.1
109.06520	0.7
109.10175	0.9
111.04439	2.8
111.08063	3.2
117.07040	1.4
119.08586	2.9
121.06514	1.2
121.10171	1.6
123.08088	1.1
123.11738	0.4
128.06236	1.0
129.07037	2.0
131.08585	4.4
133.10133	1.4
135.08076	0.5
135.11720	0.6
136.48373	0.4
139.07503	1.8
141.06982	1.7
142.07765	1.1
143.08546	3.0
144.09311	0.5
145.10121	2.9
147.08038	0.4
147.11700	1.3
149.09576	0.4
152.06190	0.8
153.07013	1.1
154.07773	2.5
155.08556	1.9
156.09460	0.5
157.10136	3.0
158.07265	0.6
159.08044	0.6
159.11751	2.2
161.09581	0.6
165.07005	2.0
166.07750	0.5
167.08562	3.4
168.09334	0.8
169.10133	21.4
170.10556	1.5
171.08047	0.5
171.11732	1.4
173.09634	1.5
175.11223	0.6
178.07819	0.7
179.08553	3.9
180.09338	1.1
181.10162	1.9
182.10991	0.6
183.07982	0.4
183.11690	2.3
187.11176	1.2
189.12639	0.5
191.08664	1.9
191.10551	0.4
192.09300	3.9
193.10126	3.0
194.10941	4.0
195.11671	2.3
196.12317	0.4
196.15546	0.4
197.09671	0.4
197.13177	0.9
202.07875	0.5
203.08620	1.7
204.09328	0.9
205.10164	2.5
205.12051	0.6
206.10948	5.5
207.11679	10.5
208.12297	1.9
209.13249	5.1
211.11198	0.8
215.08502	1.3
216.09402	1.2
217.10167	2.5
218.10834	2.4
219.11687	4.1
220.12482	2.5
221.13255	16.2
222.13739	1.2
223.11119	0.6
223.14847	0.8
228.09418	1.1
229.10129	4.6
230.10852	3.8
231.11659	4.0
232.12395	2.3
233.13237	5.1
234.14096	0.8
235.14796	2.1
237.12747	0.6
239.14250	0.9
240.14743	0.4
241.10205	1.2
242.10901	2.3
243.11662	8.2
244.12442	6.5
245.13245	8.6
246.13901	2.0
247.14787	3.5
251.14261	0.6
253.10143	0.4
255.11699	2.4
256.12466	3.9
257.13235	9.9
258.14008	9.0
259.14813	10.7
260.15570	2.5
261.16434	1.8
263.14322	0.4
267.11536	0.7
268.12482	1.1
269.13235	4.5
270.13998	5.3
271.14789	7.6
271.17459	0.5
272.15518	7.6
273.16354	15.1
274.13821	0.6
274.17020	5.0
275.14667	0.6
275.17880	4.2
281.13129	1.0
282.13904	0.9
283.14703	3.7
284.15564	6.4
285.16321	6.8
286.17114	3.5
287.14383	0.8
287.17825	4.4
288.18381	0.8
293.13019	0.4
295.14832	1.5
296.15445	0.9
297.16299	2.2
298.16925	2.2
299.14514	0.8
299.17923	16.4
300.18378	3.1
301.16104	0.8
301.19434	4.6
302.20007	0.8
303.17743	0.5
303.21146	1.0
309.12973	0.6
309.16318	0.6
310.16879	0.6
311.17987	1.3
313.19449	4.5
314.20245	11.6
315.17828	0.6
315.20972	3.1
316.21732	0.5
317.19012	1.1
323.18011	0.6
324.18390	0.6
325.15948	0.4
325.19534	1.2
327.21143	0.6
336.15063	0.4
339.17395	0.6
339.21152	1.3
367.24124	1.4
377.22974	0.6
384.20865	0.5
395.23547	3.3
398.22617	0.5
413.24774	100.0
414.25110	13.9
414.29474	0.4
434.32935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.305
Annotation	Testosterone cypionate
Peak:m/z	Relative Intensity
53.03945	3.9
55.01869	2.4
55.05509	12.6
57.07072	2.3
65.34901	1.4
67.05508	30.0
69.07072	14.7
69.33926	6.7
69.34335	3.5
70.92407	1.5
71.04981	2.1
77.03893	1.6
79.05066	2.0
79.05495	26.7
81.07057	51.8
83.04961	3.3
83.08639	4.7
85.06564	2.3
91.05480	32.2
93.07043	60.8
95.04983	8.2
95.08611	54.9
96.08915	1.8
97.06517	9.4
97.10162	5.8
105.07030	45.5
107.07857	3.6
107.08596	63.2
109.06509	8.0
109.10160	37.4
117.07006	9.4
119.08584	55.4
121.06522	14.0
121.10145	53.2
122.10451	1.8
123.08064	12.5
123.11694	10.1
125.09630	13.4
128.06293	1.5
129.07005	2.4
131.08572	22.6
133.10130	53.7
134.10489	2.0
135.08069	14.9
135.11693	28.8
137.09631	7.2
137.13251	2.0
139.07527	3.1
141.06998	2.5
142.07771	3.2
143.08554	13.3
145.10112	28.4
147.08000	3.8
147.11684	35.2
147.12758	3.2
148.12067	2.7
149.09627	9.9
149.13261	14.1
151.11148	12.0
153.09099	5.4
155.08565	4.4
156.09354	3.4
157.10141	18.6
159.08057	2.2
159.11703	23.6
161.09634	5.0
161.13246	19.1
163.11174	12.6
163.14812	6.6
165.07024	1.8
165.12816	2.3
167.10645	1.8
169.10120	4.8
169.12241	3.4
170.10654	1.9
171.11702	13.7
173.09608	2.0
173.13261	15.3
175.11205	8.8
175.14827	12.7
177.12770	6.8
177.16408	2.3
179.10655	2.1
181.12210	3.9
183.11684	4.2
185.13240	11.5
187.14818	9.0
189.12762	6.4
189.16423	9.9
191.14328	5.6
193.12219	3.6
195.11722	3.7
195.13673	3.4
197.13292	3.9
199.14804	10.3
201.12799	4.0
201.16403	7.5
203.14305	5.4
203.18028	4.7
205.15987	3.0
207.11763	2.7
207.13797	5.1
209.13235	2.8
211.14787	4.1
213.16359	11.7
215.14308	3.7
215.17995	4.4
217.05061	3.1
217.15855	6.8
217.19511	3.1
221.13364	3.2
221.15373	3.0
223.14807	1.6
225.16553	2.0
227.17982	8.9
229.15839	2.6
231.17546	8.1
233.15540	2.4
239.07184	2.2
240.04192	1.9
241.19598	3.2
243.17253	3.1
245.19028	7.3
251.17857	2.7
253.19412	3.7
257.19000	2.7
259.20633	2.0
267.06497	4.3
268.07095	2.0
279.06543	2.4
281.04343	6.4
282.04932	1.9
287.20135	6.0
289.21652	16.3
294.08896	2.0
295.06024	2.5
296.06787	2.8
297.03879	9.1
297.07370	3.3
298.04681	2.6
311.08954	2.5
312.06250	5.0
313.07059	8.7
315.23248	6.2
317.24756	4.7
321.07538	3.0
325.06839	3.5
327.02994	1.9
329.09958	2.0
339.08728	3.2
340.09457	4.7
349.28662	2.6
353.10028	3.8
355.08041	5.6
355.26266	2.5
356.08932	5.3
359.27179	2.2
367.29861	7.9
377.28470	13.8
385.30887	5.3
395.29404	68.5
396.29626	9.4
396.41147	1.6
413.12177	5.7
413.24893	10.7
413.30438	100.0
414.25751	2.6
414.30911	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01632	1.5
53.03946	4.0
55.01873	1.8
55.05513	63.0
55.33450	1.6
57.03439	22.0
57.07077	63.9
65.03920	2.5
67.05505	30.2
69.07070	92.5
69.13518	14.9
71.04995	2.7
71.08634	41.5
73.06546	2.8
78.39531	1.8
79.05487	13.3
79.33389	1.9
81.07054	43.8
81.07525	3.4
83.04988	3.4
83.08619	56.3
83.09120	3.3
85.06538	3.4
85.10181	21.7
85.55816	1.6
86.45612	1.6
86.82236	1.5
87.04530	2.1
91.05486	7.1
93.07050	17.5
95.08604	39.8
95.09164	2.9
96.08936	2.1
97.06538	13.4
97.10168	37.0
99.11723	2.0
101.06003	1.8
105.07037	7.8
107.08595	22.9
109.10155	24.1
111.08090	9.9
111.11710	10.2
115.07557	3.9
119.08561	8.5
121.10146	19.1
123.11688	9.6
125.09641	7.9
129.09091	2.4
131.08572	4.3
133.10141	3.9
135.11697	17.9
137.13300	4.2
139.11218	5.9
143.08630	2.1
143.10739	2.3
145.10120	4.3
147.11626	3.9
149.13297	12.0
151.07565	9.0
153.12804	6.2
157.10205	2.4
157.12213	2.6
159.11719	7.5
161.13266	3.2
163.14821	8.7
163.99446	1.6
167.00189	1.7
167.07307	1.6
167.14284	3.8
171.11624	2.2
173.13303	3.2
175.14865	1.9
177.16412	5.8
181.15895	3.7
185.15382	2.5
189.12755	2.4
191.10701	2.4
191.18027	5.0
205.19644	3.0
209.19113	2.6
219.21147	2.4
223.20705	3.8
237.44530	2.0
259.14905	2.0
303.30594	6.5
304.30997	2.0
321.31537	13.5
395.35153	15.0
413.25070	8.1
413.36307	100.0
414.36591	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01880	0.8
55.05511	53.1
57.03436	18.6
57.07077	53.9
58.07408	1.5
59.05003	1.7
61.30957	0.7
67.05140	0.9
67.05503	19.9
69.07069	63.0
69.33177	5.1
70.07378	1.3
71.04971	2.3
71.08633	31.1
73.06551	1.8
75.04489	2.4
79.05486	8.6
80.51969	0.7
81.07055	29.0
83.04978	3.1
83.08617	42.5
84.08960	1.4
85.06541	2.2
85.10178	19.3
86.10545	1.0
87.04503	0.8
89.40215	0.7
90.78483	0.7
91.05469	2.3
93.07037	13.5
95.08607	29.1
97.06529	8.5
97.10168	30.3
98.22576	1.0
99.08071	1.2
99.11729	1.9
101.06009	1.9
105.07046	2.1
107.08584	9.2
109.10152	12.2
111.08076	6.0
111.11716	9.7
113.09631	0.8
113.13306	0.9
115.07575	3.2
119.08597	1.1
121.10143	13.4
123.11692	7.4
125.09645	7.0
125.13239	3.0
127.14874	0.9
129.09128	3.0
135.11671	11.3
137.13284	3.3
139.10141	1.4
139.11162	7.1
139.92406	0.8
143.10684	2.3
149.13266	9.5
151.14801	1.6
153.12750	6.4
157.12251	2.3
159.11679	0.9
163.14851	5.5
167.14307	5.1
169.10120	0.9
171.13823	1.8
175.14886	1.6
177.16386	5.1
181.15875	2.9
183.00494	0.7
191.17928	4.5
195.17389	1.5
205.19490	2.6
209.19060	1.8
219.21176	2.3
223.20665	1.7
233.22655	1.5
237.22139	1.8
247.14857	1.1
247.24352	1.1
251.23785	1.2
265.25235	1.7
282.93134	0.8
293.28214	1.1
303.30399	6.6
303.33475	1.1
321.31482	16.6
321.34943	1.3
322.31854	1.4
395.35193	17.2
396.35431	1.7
413.36240	100.0
414.36575	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3778
Annotation	Adiantone
Peak:m/z	Relative Intensity
55.05505	3.2
57.07082	5.6
67.05505	5.9
69.07071	9.5
70.96397	2.8
71.08636	3.7
79.05493	11.9
81.07060	16.4
83.05000	6.6
83.08623	3.4
85.10178	1.5
91.05463	4.4
93.07037	5.8
95.08608	9.0
97.06534	89.8
97.10146	2.2
98.06866	1.8
105.07023	3.5
107.08620	5.7
108.00689	1.1
109.06522	100.0
109.10147	4.5
110.06841	2.6
111.11726	2.3
115.35517	1.1
117.07010	1.4
119.08584	2.8
121.06508	1.8
121.10123	3.6
123.08057	11.2
123.11744	1.5
131.08597	2.4
133.10158	2.9
135.11716	1.8
145.10147	3.7
147.11667	2.1
149.13251	2.1
151.11133	1.3
157.10110	1.7
159.11676	3.7
163.11247	2.0
164.17686	1.3
169.10202	1.4
173.13272	1.5
187.15030	1.5
213.16444	2.1
233.06325	1.2
241.19553	1.4
255.20961	1.7
271.24536	1.6
272.24521	1.3
292.36154	1.3
297.25824	1.1
363.60428	1.5
380.87521	1.3
395.36688	4.7
413.37759	57.6
414.38065	10.1
437.84625	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	13.0
57.03436	33.1
59.04995	3.4
60.04525	2.5
61.02927	15.6
69.03433	35.4
69.31796	15.0
71.01340	6.1
71.04997	4.9
73.02919	48.4
81.03403	5.5
85.02904	100.0
85.06536	3.0
87.04475	4.7
90.47971	2.4
91.03944	5.1
97.02893	54.5
99.04485	3.4
109.02885	7.2
115.03928	26.0
127.03906	28.0
132.06523	4.5
133.04971	43.2
144.06578	3.2
145.04964	47.9
150.07597	2.9
163.06027	19.8
180.08647	5.9
196.77486	2.5
223.06003	5.2
247.07759	3.0
247.11832	4.1
259.08246	6.1
295.10983	3.0
307.51422	2.8
373.95938	2.7
386.67224	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
56.96547	0.7
63.77396	0.4
70.06593	1.2
72.08131	0.6
79.05509	3.8
84.08190	0.6
86.09724	0.6
95.04975	1.1
98.97584	1.7
103.05511	2.1
105.07035	100.0
106.07385	2.8
110.97600	1.1
110.98389	0.5
116.98676	0.8
122.09673	51.4
123.10009	1.5
128.03551	0.4
128.98615	1.0
131.60799	0.5
146.99562	0.7
163.03825	0.4
177.05470	0.4
181.04999	1.6
219.01773	1.2
237.02858	3.5
252.12416	0.5
319.95898	0.5
355.06799	2.1
373.08072	1.1
412.25876	0.5
414.13898	0.9
415.10034	0.5
415.15613	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.1
57.03438	11.5
60.08706	1.5
61.02932	2.5
69.11785	14.1
71.04993	63.1
72.05289	2.3
73.02902	1.9
75.04480	5.7
81.03431	2.4
83.04993	8.9
85.02905	100.0
93.07099	1.7
94.51125	1.7
97.02879	5.4
99.04487	2.1
109.02917	1.7
111.04456	5.7
127.03916	5.9
129.05472	40.0
138.13777	1.8
145.04991	8.2
147.06532	20.7
163.06056	5.5
164.09116	3.9
175.03665	9.5
201.05309	1.9
220.07106	6.2
255.08836	1.8
385.12451	4.3
397.75290	1.6
414.22098	2.4
415.13635	33.7
415.18558	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.4
57.03438	16.0
59.04999	2.1
61.02929	10.5
66.76764	1.4
67.05544	1.4
69.03426	23.4
70.63872	1.3
70.64183	2.7
71.01339	2.0
71.04995	2.7
73.02912	17.6
73.80260	1.5
80.13470	1.5
81.03426	4.2
81.07050	1.8
85.02902	100.0
87.04478	5.6
91.03944	5.4
91.05421	1.7
93.07063	1.6
93.60570	1.5
95.04932	2.0
95.08622	1.5
97.02889	31.2
99.04465	5.3
103.03944	2.4
105.07005	1.9
107.04951	8.7
109.02891	5.5
115.03918	12.6
127.03915	26.5
132.31511	1.6
133.04950	17.9
145.04959	53.6
145.06137	2.6
150.07637	2.9
163.06013	25.0
189.09187	1.5
193.78416	1.6
209.30788	1.7
224.42377	1.4
235.16858	2.3
241.06934	2.7
265.16348	1.6
266.35446	1.5
415.13748	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22927	3.7
57.03449	4.6
67.03861	4.1
69.03419	4.6
69.61488	18.0
79.05514	4.6
81.07034	7.6
85.02914	25.8
91.05487	10.1
93.07059	7.4
95.04987	4.8
95.08605	12.1
97.02889	6.1
105.07024	29.1
107.08585	9.0
109.03000	4.7
109.06480	4.7
109.10151	4.7
111.06554	3.6
114.47752	3.6
119.08578	26.7
120.12457	4.3
121.10126	11.4
123.08053	4.4
123.11751	5.0
123.32317	3.5
131.08562	9.5
133.10156	13.8
134.80869	4.0
137.05989	4.7
137.09636	4.2
143.08598	5.8
145.10146	14.6
147.08029	13.0
147.11655	4.1
157.10167	8.4
159.11671	23.8
161.09619	10.1
161.13266	8.9
173.13155	4.1
175.14845	6.7
177.12807	5.8
187.14774	6.2
187.43077	3.9
189.16389	11.3
199.14856	7.4
217.15858	33.1
234.15552	3.9
235.16936	100.0
236.17232	7.6
312.10062	5.4
343.11856	10.4
358.13986	6.1
404.61169	3.5
415.17325	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05240	1.0
55.05513	19.6
57.06830	1.1
57.07078	13.0
58.06591	1.8
59.05004	0.9
67.05507	3.9
69.07069	32.2
69.39125	4.5
71.08633	10.3
79.05476	1.6
79.98139	0.7
81.07051	6.0
83.04979	2.4
83.08141	1.4
83.08619	25.3
85.10207	3.3
91.05489	2.0
93.07047	4.7
95.08613	8.4
97.10174	20.5
101.25604	0.6
102.05539	12.7
104.07106	100.0
105.06962	0.9
107.08597	3.0
109.10141	2.0
111.04465	1.2
111.11722	8.4
117.30225	0.7
118.53368	0.6
119.08599	2.2
121.10176	3.3
123.11703	1.1
125.06033	0.8
125.13262	3.4
126.11739	0.6
128.06209	0.7
129.06999	0.8
131.08565	1.3
133.10136	1.5
135.11682	2.0
137.05952	1.2
137.13254	1.0
139.03918	1.0
142.89771	0.7
143.08514	1.5
145.10132	1.0
149.13243	1.3
151.07579	0.8
153.07082	0.7
155.08563	4.3
156.09320	0.9
157.10042	0.8
159.11646	0.8
163.14757	1.4
167.07074	1.0
169.10162	2.4
171.11740	2.1
183.11737	0.7
206.10866	0.8
207.11633	0.9
208.12560	0.9
209.13382	1.2
209.19009	1.9
209.22580	0.7
211.14857	2.1
219.11864	1.7
220.12439	0.7
221.13257	1.3
223.14763	1.4
231.11623	1.2
231.16393	0.7
233.13292	1.2
245.13313	2.0
246.14252	1.0
247.14920	1.1
261.16333	1.6
271.14648	0.7
273.16248	0.8
275.17969	1.1
275.27368	2.4
293.28372	9.5
294.28531	0.8
301.19537	2.2
316.21933	1.0
396.34689	11.8
397.35098	1.6
414.25217	2.2
414.35709	0.8
415.26373	29.6
415.31897	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13964	8.3
56.17691	7.6
66.35975	8.7
70.71736	10.3
70.72090	21.5
70.98838	8.9
73.41599	8.5
83.40750	7.6
98.97589	15.3
108.29797	8.4
141.30042	8.2
179.39421	9.1
230.37111	9.6
237.02826	16.3
368.61475	10.5
415.09979	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89787	5.8
57.10627	5.9
71.28680	9.7
72.96107	6.6
78.67084	5.9
207.78392	7.0
239.57216	6.9
328.34598	6.3
337.15768	7.6
366.39273	6.6
410.58987	6.5
415.04492	10.3
415.09961	100.0
416.09720	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.8
53.03943	2.0
55.01871	3.3
55.05521	1.3
57.03442	7.8
58.32350	0.8
61.02921	1.0
65.03967	1.1
67.01849	0.7
67.05500	2.2
68.99798	3.1
69.03434	4.3
69.07058	1.3
70.06597	6.5
71.04986	1.5
71.30388	1.2
73.02915	1.8
79.05487	3.9
81.03403	3.8
81.07048	2.7
83.04990	1.2
85.02898	14.4
85.03375	1.3
86.03242	1.3
86.09702	1.5
87.04477	1.5
91.05458	4.4
93.03402	0.8
93.07047	2.5
95.04971	5.9
95.08598	1.6
97.02897	3.8
97.06528	2.3
99.04449	1.8
103.05448	1.2
105.07044	3.4
107.04953	100.0
107.08612	1.8
108.05299	2.9
108.26499	0.7
109.02895	1.9
109.06507	1.0
109.10173	1.3
111.04436	1.3
113.06011	1.0
115.03927	0.8
115.05450	1.0
119.04958	3.1
119.08571	1.7
121.02864	7.1
121.06525	1.3
121.10151	1.7
123.04436	3.1
127.03915	7.5
127.07546	0.8
129.06998	1.8
131.04948	1.8
131.08572	2.6
133.02843	1.8
133.04994	1.4
133.10115	1.6
135.04419	5.9
135.08057	1.4
137.02321	0.8
137.05952	5.0
139.03938	3.1
141.07050	1.0
145.02814	1.5
145.04996	3.3
145.06551	1.4
147.04442	2.8
147.11681	1.6
149.02333	7.3
149.06078	0.9
151.03931	3.1
153.01830	15.9
155.08554	2.0
157.06557	1.3
157.10095	1.0
158.07213	0.9
159.04424	1.0
159.08098	1.8
159.11771	1.5
160.05116	0.9
161.02406	1.2
161.05975	1.0
161.09596	1.2
161.71819	0.8
163.03908	6.4
163.06023	1.4
165.01813	13.2
165.05605	1.3
165.07028	3.0
168.80321	0.7
169.05000	0.9
169.06371	1.7
169.10109	1.1
173.02348	7.7
173.06024	2.1
174.06763	2.8
175.07542	0.9
177.01830	17.5
177.05411	1.1
178.02170	0.7
179.03407	3.3
181.06601	1.4
183.02884	5.0
183.08090	2.3
183.14958	2.2
186.03142	1.1
186.06758	1.1
187.03914	3.2
189.01788	5.0
189.05490	1.7
189.09102	3.6
190.02551	2.5
191.03372	12.1
193.01382	1.2
193.04996	4.2
195.02899	3.9
195.08090	1.5
197.05975	1.3
198.06613	0.9
201.01881	1.7
201.05463	1.7
201.09096	1.0
203.03430	1.9
205.01378	2.7
205.05026	3.0
207.02853	4.9
207.06479	1.6
207.08183	1.4
209.04300	1.6
210.06708	1.2
211.07524	3.8
211.14578	1.5
213.09094	1.1
215.03351	4.9
215.07010	5.7
217.01299	2.8
217.04945	1.8
217.16002	0.9
219.02881	16.6
219.10152	3.0
221.06006	1.3
223.07622	1.7
225.09192	1.9
229.04921	1.7
233.04428	3.8
233.07924	1.1
235.02287	1.6
235.05779	4.6
235.16977	2.4
239.06999	10.9
241.05072	2.1
242.05833	3.0
243.02901	1.0
243.06502	5.7
245.04535	1.4
249.05687	0.9
251.07065	3.0
253.08693	6.0
253.17859	0.9
255.06473	7.4
261.03925	8.9
263.07220	1.2
265.04996	1.6
267.06509	21.6
267.09882	1.6
268.06860	1.7
271.06009	6.6
273.11249	1.9
277.08545	1.1
279.05081	8.3
280.07260	1.0
281.05054	1.6
281.08038	13.2
282.08426	0.8
283.05984	7.0
289.07172	1.0
291.06421	1.0
295.06064	20.9
295.09589	2.8
296.06329	1.4
297.07544	3.5
301.07086	5.1
302.14972	2.3
305.08234	1.1
307.05978	2.2
309.07571	15.2
310.07953	1.1
311.05502	1.1
313.07086	8.0
313.10498	1.2
314.07596	0.9
323.05554	2.2
323.09174	8.9
325.06924	6.6
333.07425	0.9
337.06998	8.7
338.07819	1.0
341.06635	3.3
341.10150	1.8
344.97269	1.1
351.08585	11.4
353.06522	1.9
355.08047	9.3
356.08588	1.0
366.00070	0.8
369.09647	17.2
370.09930	1.3
371.07837	1.8
379.08182	7.8
397.09186	11.3
397.16412	3.8
398.09729	1.2
415.14093	29.8
415.18396	1.9
415.26788	1.8
416.14227	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	0.7
70.06554	0.5
72.08195	0.4
74.89687	0.3
81.07069	0.8
85.02895	0.8
85.09600	0.4
86.09747	0.4
91.05511	0.8
93.07038	0.7
93.56626	0.4
95.08578	0.7
96.32253	0.4
97.02919	0.4
105.07008	0.7
107.04962	0.8
107.08542	0.4
111.08109	0.4
119.08566	0.6
121.10136	0.6
127.03889	0.4
128.06256	0.4
129.07005	0.8
131.08542	1.0
133.10136	0.5
137.05966	2.2
141.07040	0.5
145.10100	0.5
147.11705	0.8
157.06461	0.4
158.07263	0.4
159.08096	0.4
161.05939	0.6
162.06720	0.4
167.07091	0.5
174.06816	1.1
175.07552	0.5
189.09094	0.6
199.14992	0.4
201.09203	0.5
213.09114	0.7
215.10902	0.4
217.08731	0.4
218.05542	1.6
219.06174	0.5
219.10214	1.2
235.16920	1.4
273.11212	1.6
358.58127	0.4
397.16412	1.4
415.13599	100.0
416.13940	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	0.7
70.06554	0.5
72.08195	0.4
74.89687	0.3
81.07069	0.8
85.02895	0.8
85.09600	0.4
86.09747	0.4
91.05511	0.8
93.07038	0.7
93.56626	0.4
95.08578	0.7
96.32253	0.4
97.02919	0.4
105.07008	0.7
107.04962	0.8
107.08542	0.4
111.08109	0.4
119.08566	0.6
121.10136	0.6
127.03889	0.4
128.06256	0.4
129.07005	0.8
131.08542	1.0
133.10136	0.5
137.05966	2.2
141.07040	0.5
145.10100	0.5
147.11705	0.8
157.06461	0.4
158.07263	0.4
159.08096	0.4
161.05939	0.6
162.06720	0.4
167.07091	0.5
174.06816	1.1
175.07552	0.5
189.09094	0.6
199.14992	0.4
201.09203	0.5
213.09114	0.7
215.10902	0.4
217.08731	0.4
218.05542	1.6
219.06174	0.5
219.10214	1.2
235.16920	1.4
273.11212	1.6
358.58127	0.4
397.16412	1.4
415.13599	100.0
416.13940	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
69.07103	0.5
76.64420	0.3
79.05498	0.5
81.07097	0.4
82.51325	0.3
85.02919	0.7
91.05489	0.9
93.07018	0.8
105.07030	0.9
107.04927	0.6
107.08595	0.6
119.08585	0.8
129.06989	0.8
131.08569	1.0
133.10165	0.9
137.05974	2.3
143.08458	0.5
147.11618	0.5
151.07507	0.5
159.08041	0.4
159.11662	0.4
161.05972	0.6
167.07088	0.5
173.09706	0.4
174.06795	1.6
175.07558	0.5
177.52530	0.4
189.09131	1.3
201.09109	0.9
217.15944	0.6
218.05518	2.2
219.10213	1.8
235.16882	1.2
243.10124	0.7
253.17921	0.5
255.10378	0.4
273.11160	1.0
367.11392	0.9
397.16537	1.0
415.13611	100.0
416.13885	9.6
416.18997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
57.67608	0.6
58.74489	0.6
67.05502	1.2
68.99784	0.9
69.23521	2.1
69.23945	2.1
72.33155	0.6
75.04495	1.5
86.31960	0.6
93.07028	1.3
95.04973	1.7
99.04455	28.3
103.05448	0.6
105.03394	14.5
105.04493	0.8
115.31615	0.7
121.06511	1.5
127.03064	1.2
127.03923	15.5
128.06223	1.0
128.80219	0.6
136.74417	0.6
141.06973	0.8
145.06499	0.8
149.05959	1.7
151.03912	1.4
152.04678	0.7
152.84604	0.7
153.07022	0.7
155.08510	2.1
167.04872	0.7
169.06470	1.9
171.04393	1.7
171.08098	1.1
173.05946	1.6
178.06180	0.8
179.07059	6.5
183.04358	1.3
183.08076	1.0
184.05214	1.9
185.06010	3.4
186.06670	1.1
195.04889	0.6
195.06461	3.9
195.08076	0.8
196.05280	0.7
197.05986	2.6
198.06784	1.2
199.03860	3.5
199.07545	3.6
200.08226	2.9
201.05475	6.8
201.09154	1.2
207.08273	0.6
208.12485	0.9
209.05988	0.8
210.03139	0.9
211.03812	1.1
211.07561	0.7
212.04659	5.0
213.05441	9.8
213.09183	0.5
214.06230	6.0
215.07071	4.3
216.07506	1.0
221.06041	0.7
221.08087	1.1
223.03941	1.4
225.05453	3.4
226.06206	2.5
227.03423	2.8
227.06984	5.5
228.04126	1.0
228.07687	1.1
229.05011	6.5
229.08598	6.2
231.10126	2.4
235.07597	0.8
237.05501	1.5
237.09120	1.2
239.03369	2.6
239.06949	0.9
240.04164	9.3
241.04939	21.8
241.08578	1.1
242.05658	6.9
243.06464	2.2
244.07297	3.4
245.13123	0.8
251.03389	6.6
251.07115	1.0
252.04066	2.5
252.07809	0.9
253.04907	2.4
253.08545	1.1
254.05869	0.8
255.06534	16.4
256.07294	29.3
257.04459	6.8
257.08020	11.0
258.08459	1.0
259.09671	0.8
263.07098	1.5
265.04959	1.3
265.08624	2.7
266.05722	3.9
267.02893	1.6
267.06448	2.3
267.10022	0.9
268.03632	4.3
268.07159	0.9
269.04401	2.1
269.08029	1.7
270.05255	0.8
271.05994	2.5
272.06808	10.0
273.07312	0.8
279.06580	1.1
280.07260	1.8
281.04257	0.8
281.08002	2.0
282.05164	1.7
282.08801	0.7
283.06021	8.9
283.09253	1.0
284.06870	3.2
285.07468	1.7
285.11102	0.8
286.08423	1.2
287.09128	100.0
288.09470	7.1
293.04663	0.7
293.07965	0.7
294.05225	2.1
294.08569	1.1
295.06335	1.2
295.09622	3.9
296.03369	0.8
296.06714	1.5
296.10120	1.0
297.07590	14.7
297.11041	1.8
298.08221	1.2
299.05759	0.8
299.09140	2.2
300.06314	1.7
305.08099	0.9
308.06842	4.2
309.07407	1.1
310.08167	0.9
311.05460	3.1
311.09048	1.8
312.09793	2.1
313.07065	1.4
313.10767	1.0
315.08618	18.9
316.08978	0.8
323.09128	7.6
324.09708	1.9
325.07016	1.0
325.10648	2.5
326.07941	1.4
326.11505	1.5
327.08578	1.3
327.12369	1.6
337.10794	1.5
338.11447	0.7
339.08698	1.5
340.13107	2.9
341.09998	1.0
341.13745	1.6
342.10831	1.7
343.08139	6.9
343.11774	1.1
344.08353	0.8
351.12247	1.7
353.10306	1.0
354.10617	0.9
355.11743	19.7
356.12378	3.9
369.13403	1.7
371.14792	2.9
373.12683	1.8
379.11868	1.0
397.12735	3.9
415.13477	4.8
415.26328	9.1
416.26816	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1385
Annotation	Schisantherin Q
Peak:m/z	Relative Intensity
54.19204	0.3
55.01847	0.5
68.44868	0.4
69.72553	0.8
69.72961	1.5
75.04469	1.4
83.04948	0.8
91.88485	0.4
93.07029	0.8
111.16992	0.4
119.08582	1.5
121.06479	1.6
121.10169	0.4
141.06990	1.1
145.06462	0.5
149.06020	2.3
151.03952	0.8
153.06958	0.7
155.04935	0.6
157.06490	0.5
159.08151	0.6
169.06508	1.5
171.04358	1.1
171.07993	0.6
173.05957	1.6
179.07025	7.2
179.08484	0.7
182.03639	0.6
183.04436	1.5
184.05162	1.9
185.05981	2.6
186.06868	1.0
195.06490	3.8
195.08110	0.6
196.05197	0.6
197.05960	1.9
198.06792	0.6
199.03870	2.8
199.05806	0.5
199.07539	4.0
200.08359	4.0
201.05453	8.1
201.09131	1.3
202.05852	0.4
210.03133	0.8
211.03882	1.2
212.04683	4.9
213.05464	10.5
214.06239	7.1
215.07022	5.0
216.07800	1.0
219.11731	0.5
221.07933	0.9
223.03847	1.0
224.04692	0.7
225.05458	3.3
226.06187	1.3
227.03438	2.4
227.06969	4.6
228.04138	1.2
228.07811	0.6
229.05002	7.3
229.08545	5.0
230.09360	0.8
231.10071	3.1
233.72914	0.4
237.05574	0.7
239.03381	2.5
239.07109	0.8
240.04169	9.8
241.04939	19.2
242.05687	7.4
243.06372	1.8
244.03526	0.5
244.07343	3.1
251.03378	5.0
252.04091	1.7
253.04993	0.9
255.06526	16.1
256.07291	30.4
257.04446	7.3
257.08023	10.1
259.09570	0.7
265.08472	0.5
266.05792	2.8
267.02911	1.2
267.06516	1.4
268.03586	5.0
269.04343	1.5
269.07968	0.6
270.05148	0.8
271.05865	2.3
272.06781	9.3
273.07388	0.5
279.06299	0.4
282.05258	1.4
283.06006	7.1
284.06711	2.6
285.03989	0.5
285.07483	0.9
286.08350	0.5
287.09122	100.0
288.09473	6.9
293.07861	0.5
296.03143	0.9
297.07556	12.7
298.07965	0.8
299.05612	0.6
299.09079	0.9
300.06140	0.6
311.05447	1.1
313.07059	1.0
315.08621	20.6
316.08917	1.6
323.09149	1.1
343.08102	6.7
355.11844	2.1
373.12762	0.5
380.04291	0.4
383.84271	0.4
397.12704	1.1
397.18130	0.4
406.70273	0.4
415.13846	1.5
415.26300	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1387
Annotation	2beta-Hydroxysalvigenolide
Peak:m/z	Relative Intensity
81.07044	2.8
83.05010	3.5
91.05480	5.4
93.07073	2.4
95.08612	6.1
98.23383	3.7
105.07039	2.7
111.73216	1.8
119.08579	26.0
123.92886	2.2
131.33797	2.0
153.07056	3.1
156.09337	3.8
165.07014	4.5
168.05788	3.9
169.10161	4.4
171.11737	5.6
183.08112	5.2
184.05157	3.0
184.84795	2.1
195.08218	2.9
196.05235	4.1
197.05988	2.9
198.06775	4.8
199.07480	3.1
209.09657	3.4
209.13258	3.5
210.06859	3.0
211.04245	2.7
211.07581	14.4
212.22659	2.1
213.05588	4.0
219.11673	2.2
221.05945	2.3
221.13295	4.9
222.06851	2.9
223.07536	5.9
224.04680	3.2
225.05463	4.4
225.09129	2.7
226.06261	7.6
227.07108	5.3
227.10667	2.7
229.04932	2.7
231.11760	2.3
233.13219	3.2
237.05556	3.0
237.09134	4.4
238.06207	2.9
239.07089	19.1
240.07808	5.5
241.04907	5.5
241.08620	5.5
243.06468	2.8
247.14771	3.5
250.06271	5.5
251.07025	7.2
253.05028	3.2
253.08513	4.0
254.05745	12.1
255.06570	8.7
255.10078	5.2
255.42145	2.4
256.07321	6.4
257.04526	3.3
259.14969	2.7
265.08701	9.5
267.06503	23.1
268.07159	6.5
269.08136	8.2
270.05234	2.9
270.08630	3.0
271.06021	6.7
271.33200	2.4
273.16406	2.9
279.06573	5.1
281.04987	2.2
281.08179	4.8
282.05347	3.2
282.08850	3.7
283.06042	4.3
283.09631	3.8
284.06705	5.3
285.04608	2.5
285.07617	8.8
286.08405	12.4
287.09048	16.9
293.08054	11.8
294.05112	4.7
294.08612	5.1
295.05905	5.6
295.09534	4.1
297.07553	24.8
298.08279	7.1
299.05792	4.1
299.08945	13.4
300.06247	8.0
301.06995	4.4
301.19696	3.5
308.06793	3.6
309.07559	21.3
310.08209	6.2
311.09250	9.2
313.10764	7.8
314.07849	11.3
314.11197	4.8
315.08691	24.6
315.12189	3.9
316.09088	3.6
317.10184	11.9
322.08206	2.7
323.09283	12.1
324.10056	5.5
325.07126	5.0
325.10583	6.1
329.10175	26.7
330.10953	5.8
337.10922	2.5
340.09250	5.2
341.10272	10.6
342.10999	8.8
343.08173	9.3
343.11783	5.6
345.13272	8.9
355.11746	100.0
356.12064	9.3
357.09479	3.3
358.10291	4.9
369.13382	4.7
373.12772	53.7
374.13126	4.6
397.12698	5.8
415.13977	4.3
415.21231	3.3
415.26349	42.4
415.87766	2.7
416.26981	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1386
Annotation	Peperomin A
Peak:m/z	Relative Intensity
51.40239	2.6
55.22110	3.1
61.61000	3.1
62.26269	3.0
69.36710	21.9
74.50018	2.8
88.18935	2.8
97.55142	3.2
98.23412	5.6
99.04457	8.4
99.19885	2.9
103.44778	2.6
106.76259	2.8
117.77151	2.7
119.08592	6.7
127.03891	4.0
128.83023	3.1
157.84590	2.9
160.13423	2.8
166.07770	3.9
178.07739	3.5
183.11742	3.6
189.07021	3.0
194.07292	9.7
195.08017	4.0
196.05286	3.2
197.06123	3.0
198.06792	6.5
205.06506	4.6
206.07356	4.1
207.08022	4.4
211.07523	8.2
212.08365	3.5
213.05533	4.1
214.06171	3.3
221.06044	5.1
221.13127	3.5
222.06740	15.8
223.07584	8.7
225.05435	8.2
226.06172	13.8
227.07063	7.1
235.07483	6.5
236.04803	4.6
236.07991	4.3
237.05386	9.8
237.09151	11.2
238.06313	6.8
238.09171	3.3
239.07021	12.8
240.04108	4.1
240.07741	6.1
241.04964	7.6
241.08641	8.4
242.05852	5.4
250.06282	13.0
251.07028	10.1
253.05055	5.1
253.08536	5.5
254.05771	22.8
255.06525	8.5
256.07291	8.6
257.04559	7.3
257.07965	6.0
263.07141	7.7
264.07803	10.5
265.05023	8.6
265.08582	26.7
266.05551	5.0
267.06528	15.1
268.07236	8.2
269.04672	5.1
269.08057	16.9
271.06033	10.6
278.05765	4.9
279.06497	8.6
279.10110	5.8
280.07208	9.0
281.04623	3.2
281.08047	10.6
282.05124	4.8
283.06039	13.2
283.09683	4.2
284.06729	15.3
287.09109	11.3
291.06351	3.8
293.08090	27.3
294.08728	5.8
295.06161	5.5
295.09741	8.8
296.06671	7.3
297.07590	23.8
298.08292	13.6
299.05847	3.6
299.09042	17.3
300.06265	21.5
301.06937	5.6
308.06790	17.7
309.07535	16.4
310.08255	6.3
311.05801	5.3
311.09131	18.1
313.07092	4.5
313.10626	4.0
314.07941	6.1
315.08627	69.6
316.09018	4.6
322.08234	5.2
323.05588	5.8
323.09131	45.6
324.06168	4.5
324.09692	7.3
325.07047	15.1
325.10721	6.9
326.07828	9.8
327.08401	8.8
329.10150	12.3
337.10590	5.9
338.11374	7.7
339.08441	14.2
340.09314	9.8
341.10144	27.5
342.10925	32.4
343.11649	13.2
351.08719	8.9
353.10272	5.3
355.11771	100.0
356.12216	10.6
357.09814	22.7
358.10349	32.1
365.10074	10.7
366.10840	13.0
369.13232	11.1
371.11063	7.6
373.12720	6.5
382.10196	4.0
383.11096	3.7
385.12708	4.3
397.12848	30.4
415.13898	3.8
415.26401	21.2
424.60907	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37170	1.3
56.47081	1.3
61.61698	1.6
69.02605	14.7
75.04460	2.0
76.19885	1.3
76.28332	1.4
80.21339	1.3
88.77808	1.4
90.62762	1.5
99.04462	17.7
105.03386	3.0
121.06478	1.8
127.03934	8.1
154.60112	1.5
169.06535	1.7
173.06032	1.5
179.07063	9.0
179.08469	1.8
184.05142	2.6
185.05988	3.7
195.06575	4.3
197.06096	2.1
198.06868	1.7
199.03877	3.9
199.07567	5.0
200.04834	1.7
200.08408	2.7
201.05487	9.2
207.08090	2.0
209.05916	2.1
210.06731	1.8
211.03827	2.3
211.07625	3.3
212.04724	4.6
212.08365	1.4
213.05435	10.5
214.06299	5.6
215.07036	4.9
222.06781	2.4
225.05440	3.6
226.06200	4.7
227.03351	2.2
227.07040	8.7
228.07603	1.8
229.05032	5.3
229.08650	5.5
231.10194	3.9
235.07607	2.1
237.09064	1.9
239.06995	2.5
239.10609	1.8
240.04141	6.0
240.07809	1.9
241.04971	26.9
241.08539	3.1
242.05690	6.8
243.06471	4.6
244.07344	3.9
250.06358	1.9
251.03487	6.8
251.07062	2.9
252.07805	2.8
253.04974	2.9
253.08597	3.8
254.05756	3.6
254.09386	2.4
255.06512	20.4
255.09378	1.7
255.10275	2.1
256.04425	2.7
256.07291	33.8
257.04526	6.6
257.08054	12.9
263.07001	2.5
265.08536	4.9
266.05759	4.5
266.09357	1.7
267.06528	4.6
267.10187	6.2
268.03757	4.2
268.07343	4.7
268.10599	1.7
269.04523	3.1
269.08099	8.2
270.05252	1.5
270.08792	2.2
271.06052	8.3
271.09436	2.0
272.06802	10.9
277.08704	3.0
278.05826	2.2
278.09384	3.3
279.06540	4.1
279.10196	4.5
280.07352	4.6
280.10690	2.7
281.04510	2.8
281.07980	4.5
281.11386	1.8
282.05176	3.4
282.08987	3.1
282.12460	2.9
283.06058	7.5
283.09680	5.3
284.06842	8.7
284.09827	2.1
285.04410	1.8
285.07492	7.7
286.08252	2.2
287.09146	100.0
288.09525	6.2
293.08096	2.2
293.11661	2.7
294.05362	1.7
295.06201	2.3
295.09683	10.9
296.06931	4.0
297.07596	22.1
297.11172	4.6
298.08203	5.4
299.05603	7.2
299.09219	14.7
300.06219	5.4
300.09909	6.4
301.07040	1.5
301.10703	3.2
308.06808	5.0
309.07513	4.5
309.11191	6.9
310.08469	3.3
310.11966	9.3
311.05823	2.6
311.09152	9.0
311.12555	3.2
312.06638	2.0
312.09982	7.5
313.07260	2.9
313.10660	7.2
313.14154	1.9
314.07819	4.5
315.08633	33.1
315.12173	1.8
316.09106	2.4
320.10471	2.0
321.11227	3.7
323.09137	9.8
324.09677	3.2
325.07065	2.6
325.10648	15.7
326.08063	3.5
326.11478	14.1
327.08603	6.8
327.12308	3.8
328.09305	3.1
329.10214	32.1
330.10703	2.1
337.10669	3.4
340.13110	23.4
341.10095	10.5
341.13828	18.4
342.10910	18.0
342.14639	2.1
343.07999	7.7
343.11832	6.4
351.12137	8.3
355.11703	16.6
356.12418	21.9
357.13074	4.2
358.10413	6.3
366.14633	7.8
367.15375	2.5
369.13220	2.3
371.14893	30.9
372.15137	2.0
373.12817	17.9
383.14841	8.3
384.15689	8.1
397.12552	5.2
397.16565	4.9
400.15112	1.8
415.17899	24.6
416.17740	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87507	0.7
55.01868	1.1
55.05508	1.2
67.05168	0.7
67.05499	3.1
69.03440	1.0
69.07069	1.7
69.46675	5.0
71.92149	0.9
75.04484	2.8
79.05500	2.8
81.07061	2.9
82.51478	0.7
83.04961	1.3
91.05492	2.4
93.07057	3.8
95.04964	1.3
95.08607	5.7
98.23346	1.2
98.98482	2.6
99.04459	22.5
103.05491	1.0
105.03404	2.5
105.07035	2.5
107.08610	1.3
109.10169	1.2
117.07053	0.8
119.08585	3.7
121.06520	3.0
121.10139	1.4
123.08071	0.8
123.11703	0.8
127.03910	14.4
127.04770	1.4
128.06181	1.0
128.52350	0.8
129.07056	1.0
131.08571	1.5
133.10114	1.1
141.06982	1.2
142.07791	0.9
143.08530	1.8
145.10155	1.3
147.11742	1.3
149.06013	3.0
151.03856	0.9
153.06944	1.3
155.01082	3.1
155.04979	0.9
155.08565	3.6
156.05769	0.8
157.06477	1.0
157.10126	1.9
159.11684	0.7
161.13304	1.2
165.07027	1.1
167.07201	0.8
167.08569	1.6
168.05634	1.0
169.06503	2.2
169.10104	4.8
171.04477	1.8
171.08214	1.9
171.11751	1.9
173.05984	2.2
173.13214	1.1
178.06323	1.0
179.07030	7.4
179.08492	1.7
180.09300	1.3
181.10153	1.2
182.03661	1.1
183.04466	1.5
184.05276	1.1
185.06009	3.2
186.06708	1.3
192.09348	0.9
193.10139	2.2
194.11008	1.2
195.06561	3.2
195.08202	1.0
195.11722	2.0
197.06065	2.5
197.13223	1.1
198.06735	1.9
199.03972	3.3
199.07558	3.2
200.08316	3.3
201.05449	9.8
201.09122	1.7
202.05928	0.8
205.10132	1.6
206.10965	1.5
207.11699	2.1
208.12488	0.9
209.13324	3.2
211.03963	2.1
211.14775	1.3
212.04723	5.9
213.05457	10.5
214.06206	6.2
215.07025	6.4
217.10092	0.9
218.10957	1.6
219.11737	3.4
221.07991	1.0
221.13222	5.5
223.04002	1.8
223.07729	0.8
225.05504	3.7
226.06322	3.2
227.03430	2.7
227.06966	5.2
228.04253	1.0
228.07739	1.7
229.04985	8.7
229.08525	5.1
231.10196	3.3
232.12488	2.3
233.13350	3.1
234.14067	1.5
235.14854	1.3
239.03534	1.9
239.07007	1.6
240.04149	11.4
241.04956	25.0
242.05690	8.9
243.06584	2.8
243.21107	1.1
244.07265	2.6
245.13292	3.2
246.14030	2.6
247.07541	0.9
247.14880	2.4
249.16399	1.0
251.03371	7.6
251.07373	1.2
252.04099	2.6
252.07736	1.2
253.05057	2.3
255.06508	18.0
256.07291	32.6
257.04550	8.0
257.08008	12.5
259.14987	2.3
260.15533	1.2
261.16418	3.7
261.22250	2.7
263.06894	1.2
265.04962	1.4
265.08569	1.8
266.05688	2.8
267.02933	1.2
267.06549	2.3
268.03653	5.5
269.04364	1.9
269.08133	1.3
270.13989	1.1
271.06039	2.7
272.06796	11.0
273.16510	1.2
275.17944	5.7
276.18558	1.1
279.06641	1.0
280.07281	1.4
281.08121	1.6
282.08881	0.9
283.06021	7.3
284.06601	4.1
285.07706	1.1
286.08160	1.3
287.09128	100.0
288.09393	5.6
288.18719	1.1
291.06689	0.9
293.04486	1.2
293.08112	1.3
294.05148	2.5
295.05991	1.5
295.09595	2.5
296.03320	0.9
297.07578	14.1
297.10797	1.0
298.08063	1.7
299.05743	1.4
299.09177	1.4
301.19543	2.6
305.07727	1.0
308.06827	2.2
309.07806	1.1
310.08170	1.1
311.05463	2.8
311.09021	1.4
313.07141	1.4
315.08655	22.1
315.12158	1.7
316.09183	1.7
316.21838	1.5
322.08185	1.3
323.09152	6.5
324.09552	1.4
325.10480	1.6
326.07736	1.5
326.11301	1.4
327.12177	2.1
337.10757	2.1
339.08731	1.6
343.08075	7.1
354.11069	1.4
355.11731	13.1
356.12152	2.0
365.10287	1.1
369.13321	1.4
397.12869	4.1
397.25180	0.9
415.14120	4.8
415.26349	35.7
416.26578	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.8
55.01868	2.7
55.05511	4.5
59.05000	2.0
61.04506	1.0
65.03930	1.4
67.05515	6.6
68.02640	1.3
69.03448	3.0
69.07058	3.3
69.34709	8.8
69.64888	1.1
71.05000	2.2
79.05491	2.4
81.07060	3.3
82.04176	1.3
83.04979	8.2
84.85509	1.1
85.02934	1.4
85.06537	1.8
91.05437	6.4
93.07050	5.3
95.01333	1.2
95.04967	3.8
95.08617	7.3
97.06526	2.7
98.23279	2.5
99.04472	3.5
101.06034	1.8
103.05471	1.6
105.07043	5.2
107.08603	4.6
108.02081	2.2
109.06487	1.9
109.10165	2.3
111.04456	4.3
111.08096	2.2
113.05975	1.2
115.05462	4.9
117.07006	2.9
119.08583	11.0
121.10113	2.0
123.04408	2.5
125.05999	5.0
128.06223	2.8
129.07040	4.9
130.07788	2.2
131.04948	1.5
131.08534	3.1
133.10168	4.2
139.03969	2.6
139.07614	1.3
139.38646	1.4
141.06990	4.7
142.07779	2.3
143.04924	3.0
143.08595	5.0
145.06517	5.2
145.10114	2.3
147.04425	1.6
147.08023	1.5
151.03862	1.5
152.06357	1.9
153.05515	7.8
153.06812	2.3
154.07748	1.9
155.04948	1.4
155.08540	15.5
156.09323	2.4
157.06540	1.9
157.10117	4.5
158.07330	1.3
159.08049	17.1
160.08771	2.1
161.09682	1.5
165.05794	1.6
165.07080	5.1
167.03403	10.2
167.08583	4.0
168.09410	1.3
169.06445	1.6
169.10143	9.7
171.08116	2.7
171.11754	5.6
173.06003	4.4
175.03885	9.1
175.07533	1.6
178.07858	1.9
179.08577	5.0
181.04984	8.2
181.10146	3.9
183.08086	2.6
183.11743	2.1
185.06026	4.3
185.09647	1.5
186.06755	2.1
187.07550	7.9
188.08322	1.5
189.05606	3.1
189.07095	2.4
190.07808	2.4
191.08493	3.2
192.09337	1.5
193.10199	4.4
194.07193	1.6
194.10933	1.7
195.08086	3.0
195.11749	3.0
196.12267	1.4
197.05954	2.5
197.09680	1.7
197.13341	1.8
198.06735	1.7
199.03983	4.7
199.07654	5.2
200.04797	1.5
201.05486	2.0
202.06253	1.6
202.07881	1.6
203.07018	8.5
203.08653	1.8
204.09315	1.9
205.06584	2.7
205.10153	4.2
206.07280	1.4
206.11002	3.5
207.11708	5.2
208.08878	2.7
208.12460	3.0
209.06070	2.0
209.09665	4.5
209.13329	4.3
211.07556	2.4
211.14760	6.5
212.04771	1.5
213.05502	5.7
213.09073	2.3
214.06180	1.7
215.03468	2.3
215.06969	16.3
216.07797	30.6
217.08426	10.1
217.10396	2.2
218.07364	1.3
218.10835	1.9
219.08191	2.8
219.11671	5.7
220.12416	2.9
221.05943	2.0
221.09665	2.0
221.13220	7.5
223.07573	3.2
223.11105	1.5
223.14883	4.5
225.05513	3.3
225.09164	1.6
226.06218	4.9
227.07019	4.4
229.04982	2.9
229.08514	2.0
231.11736	5.0
232.12601	1.9
233.13301	5.4
235.07629	5.3
235.14806	2.9
236.08409	1.5
237.05539	3.4
237.09084	2.9
239.03250	1.5
239.07114	3.5
240.04079	2.5
240.07689	2.8
241.04919	3.8
241.08606	4.8
243.02905	1.9
243.06540	2.5
243.11700	1.6
244.12480	1.6
245.13338	5.6
246.14064	3.7
246.95139	1.2
247.07515	2.3
247.14888	4.9
249.05563	4.3
249.09155	2.9
249.16411	1.8
250.06284	1.6
251.07031	7.3
251.10767	2.1
253.08662	4.3
254.05672	2.0
255.06427	3.7
256.07462	1.8
257.04553	2.2
257.08044	1.8
257.13263	1.4
258.14075	2.4
259.14896	4.2
260.15582	3.6
261.16360	5.8
262.06442	2.1
263.07089	8.5
264.07843	5.5
265.05087	2.7
265.08627	6.2
266.05692	3.3
266.09317	1.9
267.06570	6.8
267.10150	3.6
268.07092	2.6
269.04681	1.6
269.07498	4.2
271.14899	1.5
272.06592	1.7
273.16315	2.4
274.17133	3.1
275.07211	1.6
275.14548	2.1
275.18015	5.6
276.07852	2.4
276.18747	2.5
277.08664	7.8
277.19662	1.9
278.05695	1.7
278.09274	3.0
279.06604	6.7
279.10187	4.8
280.07401	2.1
280.10498	1.8
281.04681	2.6
281.08145	6.4
282.05170	2.6
283.06256	1.7
283.09589	1.6
285.07559	2.7
287.09085	4.7
287.18164	2.6
289.19656	3.5
291.06409	2.5
292.07187	2.6
293.04904	2.3
293.08109	7.2
294.05536	1.8
294.08752	6.1
295.06030	4.6
295.09668	5.6
296.06668	1.3
297.04303	1.5
297.07565	3.8
298.08084	2.0
299.05551	2.4
299.08685	1.6
299.18176	1.9
301.19424	7.9
303.06494	1.9
304.07455	1.8
305.08084	10.1
306.08893	3.9
307.06100	5.4
307.09732	5.6
308.06592	2.8
309.07535	5.4
309.11264	5.9
311.05637	1.7
311.09183	3.0
311.12750	2.6
313.07129	2.3
316.18616	1.3
316.21893	5.4
317.22775	1.5
321.07599	4.6
321.10989	1.7
322.08298	6.3
323.09290	5.3
325.07144	4.4
325.10788	3.2
326.07782	1.8
331.10901	2.9
333.07684	3.1
335.09094	2.9
336.10059	2.3
337.10654	9.6
338.11426	2.1
339.08621	4.9
339.12442	3.0
340.09360	2.4
341.10208	2.7
347.09323	3.3
350.07974	2.3
351.12204	2.5
354.10931	2.2
355.11884	6.1
359.20187	2.1
365.10120	6.5
369.13312	8.9
379.11829	4.3
397.12683	7.7
397.21252	1.4
415.14120	18.9
415.26376	100.0
416.26724	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	1.3
60.97710	0.9
67.05503	2.7
69.07066	1.2
71.32189	1.2
75.04475	3.1
75.04891	0.9
75.49161	0.8
79.05497	1.8
81.07031	1.2
83.04987	2.7
91.05489	2.4
93.07043	2.2
95.04968	1.5
95.08634	2.7
98.97543	0.8
99.04441	6.5
104.43556	0.9
105.03384	6.0
105.05500	1.8
105.07056	3.4
107.08614	2.2
109.06491	0.9
111.04414	1.3
115.43344	0.8
119.08594	3.3
121.06518	2.6
121.10165	1.5
127.03947	2.7
128.06300	1.6
129.06992	2.7
131.08586	1.1
133.10114	1.1
141.07001	3.2
142.07840	1.0
143.08592	2.4
144.09335	1.0
145.10126	1.6
149.06027	1.5
151.03935	1.1
154.07774	1.6
155.04929	0.8
155.08604	2.4
157.06546	3.2
157.10139	1.1
159.08043	1.2
161.58170	0.9
165.07001	1.4
166.06290	1.6
167.07101	1.1
167.08481	1.2
169.06528	1.8
169.10150	4.0
171.08032	1.3
171.11612	1.1
173.06006	0.9
173.09647	2.5
173.13297	0.9
179.07013	2.9
179.08522	1.5
180.07854	1.3
181.06584	1.3
181.08609	3.0
183.08105	2.1
183.11720	0.9
184.05234	2.2
185.06041	2.0
189.09120	1.7
195.06514	2.0
195.08267	2.2
195.10207	3.7
197.05923	2.0
197.09625	17.9
197.11481	1.1
197.13353	1.0
199.03970	2.4
199.07600	1.5
200.08400	1.6
201.05521	2.5
201.09038	2.2
207.08110	1.5
207.11679	1.6
209.05995	1.3
211.07681	1.5
212.04678	3.6
213.05412	5.4
214.06285	3.2
215.07005	3.1
216.11517	3.4
217.08426	1.0
217.10240	1.1
218.10938	1.0
219.11726	1.2
221.06160	1.4
223.07600	1.3
223.11195	2.9
224.08266	1.1
225.05522	2.8
226.06213	2.2
227.03583	1.7
227.07045	5.1
229.04958	3.5
229.08644	2.3
231.11836	1.2
232.12643	1.0
233.09534	1.4
233.13283	1.6
234.10365	1.3
235.07562	1.7
235.11247	1.2
237.05489	1.5
237.09048	1.8
238.06270	1.1
239.03427	1.5
239.07060	1.3
239.10571	1.4
239.14490	1.0
240.04219	5.3
241.04997	11.7
241.08691	2.6
242.05759	4.5
243.06451	1.6
244.07394	1.0
244.12520	1.2
245.13394	1.2
246.10245	1.0
247.07585	0.9
247.11163	2.0
247.13327	1.9
249.09088	1.5
250.09811	1.4
251.03497	2.5
251.07086	2.1
251.10664	1.5
252.07852	1.7
253.04901	2.1
253.08734	2.7
253.12285	1.1
254.05742	2.5
254.09326	1.4
255.06505	10.8
256.07288	14.0
257.04532	3.8
257.08054	6.6
258.13727	1.3
259.11301	1.2
259.14801	1.5
260.12033	1.1
261.12872	1.8
262.10004	1.7
263.07349	1.1
263.10480	1.7
264.07904	1.5
264.11505	1.7
265.08682	3.7
265.12408	1.1
266.05859	1.1
266.09314	1.6
267.06592	3.1
267.10242	2.6
268.03757	2.4
268.07468	1.1
269.04514	1.3
269.08127	3.5
269.11301	0.9
270.08917	1.8
271.06097	2.4
271.09665	1.6
272.06747	5.0
273.07513	1.0
273.13080	1.1
274.13766	1.0
274.16907	0.9
275.10782	1.9
275.14307	4.1
276.11581	1.4
277.08679	1.9
277.12308	2.3
277.15686	1.3
278.09485	2.1
278.13010	1.1
279.06644	2.1
279.10175	4.3
279.13757	1.4
280.07254	2.3
280.10709	1.4
281.08206	2.0
281.11795	1.4
282.08905	1.1
283.06052	6.9
283.09427	2.0
283.14795	1.1
284.06821	4.2
284.10095	1.2
285.07639	7.0
285.11288	3.3
287.09128	49.3
288.09561	2.2
291.07031	1.3
291.10248	2.8
292.10947	3.9
293.08136	3.0
293.11765	4.7
294.08612	1.0
294.12418	2.0
295.06076	2.3
295.09744	5.9
295.13428	4.4
296.06860	1.9
296.10373	2.3
297.07639	9.0
297.11276	3.5
298.08395	2.7
299.05841	1.5
299.09134	4.7
300.06308	4.0
300.10001	2.3
301.07242	1.3
301.10919	1.8
301.15967	3.1
303.17264	1.0
305.11578	1.5
306.12558	3.0
307.09644	4.1
307.13354	13.4
308.06683	2.8
308.10464	3.1
308.13974	2.4
309.07474	2.2
309.11261	4.2
309.14801	2.9
310.08475	2.0
310.11954	2.3
310.15652	2.5
311.05823	1.3
311.09177	3.1
311.12845	3.6
312.09863	4.5
312.13321	1.9
313.07181	1.5
313.10733	7.1
315.08676	18.7
315.12283	2.3
316.09171	2.6
316.18359	1.3
321.11246	2.8
322.12000	3.4
322.15543	23.8
323.09122	7.3
323.12839	13.4
323.16074	1.5
324.09796	2.7
324.13480	3.7
325.10739	7.4
325.14462	3.1
326.07919	1.6
326.11429	2.1
326.15045	2.1
327.08612	2.7
327.12363	4.4
328.13004	4.0
329.10208	2.4
329.13788	1.4
330.11014	1.7
331.11771	2.4
332.12619	1.9
336.13840	1.4
337.10736	2.0
337.14359	6.4
338.11426	1.7
338.15085	19.1
339.08517	1.5
339.12262	5.5
339.15826	2.5
340.09421	1.8
340.12946	4.8
341.10388	4.5
341.13861	2.7
341.17148	4.8
342.10898	3.6
342.14731	3.6
343.08136	3.6
343.11765	3.5
344.12234	1.3
345.13376	5.8
346.14014	3.7
351.12115	1.4
352.16681	2.9
353.10107	1.9
353.13733	5.1
353.17529	23.5
354.14438	6.7
354.18188	2.2
355.11752	11.9
355.15588	3.6
356.12350	2.7
358.10428	1.7
359.14926	3.7
361.22021	1.0
366.14777	1.4
368.16089	2.1
369.13263	2.4
369.17068	28.7
370.17529	1.8
371.14999	4.9
373.16962	2.2
379.20654	2.0
382.10184	1.1
383.18576	3.0
384.19308	100.0
385.16235	4.1
385.20511	7.3
386.16959	1.2
397.12564	4.9
397.21396	4.3
400.18842	18.5
401.19284	1.1
415.21329	45.7
415.26035	2.8
416.21780	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1386
Annotation	Peperomin A
Peak:m/z	Relative Intensity
66.64127	1.0
69.56165	4.3
69.56573	1.9
79.99303	1.2
106.60172	1.0
123.99305	0.9
153.07002	1.5
164.01160	1.0
165.07002	2.2
166.07799	1.9
168.05737	1.2
169.06506	1.7
176.06038	1.4
177.06781	1.3
178.07747	2.2
181.06477	2.0
182.07278	1.2
183.08076	2.8
190.07808	1.3
191.08498	1.5
193.06537	1.8
194.07274	6.3
195.08047	2.8
196.05209	1.6
196.08632	1.0
197.06020	2.7
198.06744	4.1
205.06470	3.2
206.07294	2.5
207.08066	3.4
209.05927	3.8
209.09628	4.3
210.06795	1.9
210.11775	1.1
211.03719	1.4
211.07571	6.2
212.08179	1.4
213.05495	1.8
213.08987	1.7
219.08057	4.0
220.05286	1.5
221.06027	5.4
222.06741	11.2
223.07504	5.3
224.04677	1.8
224.08250	1.8
225.05440	6.6
225.09026	2.4
226.06262	6.3
227.07050	4.6
233.06013	4.1
234.06703	1.5
235.03949	1.3
235.07608	5.1
236.04633	2.8
236.08287	3.1
237.05447	7.5
237.09114	8.3
238.06206	4.5
239.03444	1.5
239.07066	13.4
240.04324	1.6
240.07764	4.5
241.04977	4.2
241.08611	7.1
243.06522	1.9
247.07565	2.4
248.08308	1.3
249.05489	3.1
250.06297	13.4
251.07013	10.1
252.03926	1.3
252.07756	6.0
253.04994	4.4
253.08687	3.6
254.05739	13.4
254.08429	1.6
254.09248	1.5
255.06528	7.3
256.07440	2.8
257.04483	3.3
261.05472	1.6
262.06180	2.5
263.07034	5.9
264.07761	5.3
265.05072	4.7
265.08591	21.8
266.05786	4.4
266.09164	2.9
267.06500	13.9
267.09549	1.8
268.04266	1.6
268.07291	10.0
269.04620	2.8
269.08090	11.5
269.34198	1.3
270.05161	1.8
270.08823	3.2
271.05988	5.1
271.09457	2.9
272.06674	1.4
275.07025	1.4
277.05142	1.5
277.08575	2.5
278.05695	3.5
278.08948	1.1
279.06528	5.6
279.10153	3.9
280.07147	6.0
281.04483	3.1
281.08109	7.7
282.05261	5.0
282.08362	5.1
283.05988	8.4
283.09631	3.8
284.06802	11.9
285.04172	1.5
285.07492	4.5
291.06482	3.7
292.07327	3.6
293.04739	2.9
293.08026	23.7
294.05508	1.9
294.08728	4.1
295.06027	6.5
295.09097	6.8
296.06805	7.7
296.09836	1.6
297.07663	20.0
297.11090	2.5
298.08325	10.5
299.05569	4.5
299.09128	15.3
300.06323	12.4
300.09537	2.5
301.07031	3.3
305.08286	1.6
306.08881	1.6
307.06073	2.5
307.09683	2.6
308.06757	6.7
308.10077	2.7
309.07550	15.4
310.05002	1.5
310.07965	5.1
311.05692	2.3
311.09128	13.0
312.09784	3.7
313.07303	2.0
313.10687	4.9
314.07837	8.3
315.08612	27.8
316.08899	3.1
321.07501	1.8
322.08322	2.2
323.09125	22.4
324.06381	1.9
324.09702	6.4
325.07028	10.6
325.10730	8.4
326.07782	5.9
327.08664	9.9
327.12286	2.1
328.09210	2.5
329.10165	13.1
336.09860	1.5
337.10602	2.3
338.11392	4.5
339.08627	8.1
340.09317	9.5
341.10172	33.5
342.07416	2.3
342.10956	34.0
343.07962	2.2
343.11557	7.6
351.08649	2.2
353.10141	3.8
354.10895	2.0
355.11749	100.0
356.12085	6.9
357.09686	23.6
358.10410	20.5
359.10657	2.5
365.10172	1.6
366.10840	4.9
367.07828	1.3
367.11969	1.6
369.13403	9.0
371.11203	13.0
372.11584	1.9
373.12738	4.8
382.10315	3.4
383.11346	2.6
385.12714	3.0
397.12854	19.2
398.13092	2.3
415.13788	5.8
415.26288	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01865	0.8
55.05506	2.2
55.05754	0.6
67.05520	3.5
69.03429	2.5
69.07085	1.8
69.16193	0.6
69.16844	4.2
75.04463	0.6
77.03949	0.7
79.05499	3.9
81.07053	4.7
83.04989	2.4
91.05453	5.2
93.07048	4.5
94.19920	0.6
95.04983	2.0
95.08613	5.7
97.06563	0.8
99.04456	2.5
103.05490	0.8
105.07027	7.4
105.74837	0.6
107.08609	5.2
109.06525	1.7
109.10166	1.2
111.04448	2.0
111.08069	0.9
115.05472	1.4
117.07039	2.9
119.08588	5.6
121.06503	1.5
121.10176	2.2
123.08104	1.2
124.35296	0.6
128.06239	3.1
129.07024	3.4
130.07845	0.8
131.08565	5.4
133.06508	0.7
133.10161	3.7
135.08089	1.3
135.11708	1.0
137.05984	1.1
139.07603	0.8
141.06087	0.6
141.06921	3.0
142.07819	4.0
143.08559	7.1
145.10146	5.1
147.08099	1.3
147.11685	1.3
149.09598	0.8
149.13289	0.6
153.07001	1.6
154.07736	1.0
155.08557	15.6
156.09378	2.9
157.10150	6.1
158.10812	1.3
159.08119	0.8
159.11697	4.1
161.09610	1.8
161.13445	0.5
162.22595	0.6
163.07651	0.7
165.07062	2.3
166.07727	1.0
167.07080	1.0
167.08592	2.5
168.09392	1.3
169.06476	0.9
169.10158	5.5
170.10858	1.2
171.08031	1.8
171.11710	7.1
172.12180	0.8
173.06064	0.7
173.09543	0.9
173.13268	7.0
175.11211	0.8
178.07800	1.3
179.07063	1.5
179.08617	3.2
180.04158	0.6
180.09291	1.8
181.10062	4.0
182.10942	2.0
183.11700	3.2
185.06009	0.9
185.09578	1.4
185.13269	2.0
187.11084	0.8
187.14882	1.7
189.09175	2.9
191.08609	0.9
192.09346	2.2
193.10139	5.8
194.10954	2.6
195.06554	6.4
195.11661	4.5
196.12340	1.4
197.06042	1.1
197.09630	1.1
197.13297	3.4
199.03838	0.8
199.07632	0.7
199.11208	1.1
199.14856	1.5
200.08366	0.6
201.05508	1.7
203.08592	1.1
204.09462	2.0
205.10146	3.2
205.38464	0.6
205.78972	0.6
206.10930	2.3
207.10098	1.3
207.11754	7.2
208.12302	2.9
209.09718	1.1
209.13217	4.5
210.13951	1.3
211.11285	1.2
211.14798	6.3
212.04716	1.4
213.05489	1.9
213.16444	1.0
214.06316	0.9
216.09444	0.8
217.10170	2.2
217.12187	0.8
218.10851	1.7
219.11719	5.8
219.13719	0.8
220.12610	1.9
221.13228	5.3
222.06621	0.7
222.14032	0.9
223.11246	2.4
223.14790	7.4
224.15276	0.6
225.05536	1.0
225.12784	1.1
227.03487	0.9
227.07100	0.7
229.04971	1.2
229.08295	0.7
229.10216	1.7
230.10974	2.3
231.11766	3.7
231.13777	0.8
232.12431	3.3
233.13268	5.1
234.14006	1.9
235.11215	0.8
235.14746	2.9
236.15613	0.7
237.16457	1.9
239.10670	1.0
239.14322	0.8
240.04219	2.7
241.04942	4.0
241.12296	0.9
242.05762	1.4
242.10995	0.7
243.11746	1.9
244.12477	2.2
245.13210	4.7
246.13959	2.0
247.14792	4.5
248.15546	0.7
249.12814	1.0
249.16449	2.7
251.03453	2.3
251.06982	0.7
251.17906	0.7
252.04164	1.2
253.05116	0.8
253.12300	1.2
255.06517	3.1
255.13879	0.7
256.07275	5.4
257.04584	1.9
257.08136	1.8
257.13257	1.7
258.13934	1.2
259.11087	0.7
259.14841	3.0
260.12039	0.7
260.15582	2.5
261.16342	4.2
262.16919	1.1
263.14410	1.0
263.17966	2.7
266.05719	0.9
267.06540	0.8
268.03705	1.5
269.04526	1.2
269.13181	0.9
271.06119	1.0
271.14810	2.8
272.06851	1.8
272.15619	0.9
273.12991	0.8
273.16501	2.8
274.17056	1.2
275.14453	2.1
275.17996	4.3
277.15909	2.0
277.19537	2.8
278.20276	1.9
279.06613	0.8
283.06079	1.8
283.14648	0.8
284.06897	1.9
284.15421	0.8
285.07532	1.1
287.09113	18.6
287.14322	1.0
287.17999	1.7
288.09543	1.4
288.18488	0.7
289.15576	0.8
289.19522	1.6
293.15598	0.8
295.09567	1.2
297.07468	3.7
297.12686	0.7
299.14490	0.8
299.17975	1.2
300.06314	1.5
301.16306	1.2
301.19559	3.8
303.21088	1.3
308.06580	0.8
311.05579	1.5
312.06335	1.9
312.14777	1.0
313.07144	1.7
315.08829	4.8
316.21875	1.8
317.22717	2.4
323.09198	1.3
324.09933	0.6
326.07904	1.8
327.17737	0.9
337.10962	0.9
339.21036	0.8
341.18903	1.1
343.08209	2.7
345.18442	1.3
355.11887	1.5
359.20377	2.9
369.13425	0.9
369.26013	1.0
373.12897	1.0
379.11938	1.7
385.21619	0.7
397.12833	1.5
397.25223	4.9
400.23853	1.3
414.25067	3.5
415.26349	100.0
416.26688	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	1.3
60.97710	0.9
67.05503	2.7
69.07066	1.2
71.32189	1.2
75.04475	3.1
75.04891	0.9
75.49161	0.8
79.05497	1.8
81.07031	1.2
83.04987	2.7
91.05489	2.4
93.07043	2.2
95.04968	1.5
95.08634	2.7
98.97543	0.8
99.04441	6.5
104.43556	0.9
105.03384	6.0
105.05500	1.8
105.07056	3.4
107.08614	2.2
109.06491	0.9
111.04414	1.3
115.43344	0.8
119.08594	3.3
121.06518	2.6
121.10165	1.5
127.03947	2.7
128.06300	1.6
129.06992	2.7
131.08586	1.1
133.10114	1.1
141.07001	3.2
142.07840	1.0
143.08592	2.4
144.09335	1.0
145.10126	1.6
149.06027	1.5
151.03935	1.1
154.07774	1.6
155.04929	0.8
155.08604	2.4
157.06546	3.2
157.10139	1.1
159.08043	1.2
161.58170	0.9
165.07001	1.4
166.06290	1.6
167.07101	1.1
167.08481	1.2
169.06528	1.8
169.10150	4.0
171.08032	1.3
171.11612	1.1
173.06006	0.9
173.09647	2.5
173.13297	0.9
179.07013	2.9
179.08522	1.5
180.07854	1.3
181.06584	1.3
181.08609	3.0
183.08105	2.1
183.11720	0.9
184.05234	2.2
185.06041	2.0
189.09120	1.7
195.06514	2.0
195.08267	2.2
195.10207	3.7
197.05923	2.0
197.09625	17.9
197.11481	1.1
197.13353	1.0
199.03970	2.4
199.07600	1.5
200.08400	1.6
201.05521	2.5
201.09038	2.2
207.08110	1.5
207.11679	1.6
209.05995	1.3
211.07681	1.5
212.04678	3.6
213.05412	5.4
214.06285	3.2
215.07005	3.1
216.11517	3.4
217.08426	1.0
217.10240	1.1
218.10938	1.0
219.11726	1.2
221.06160	1.4
223.07600	1.3
223.11195	2.9
224.08266	1.1
225.05522	2.8
226.06213	2.2
227.03583	1.7
227.07045	5.1
229.04958	3.5
229.08644	2.3
231.11836	1.2
232.12643	1.0
233.09534	1.4
233.13283	1.6
234.10365	1.3
235.07562	1.7
235.11247	1.2
237.05489	1.5
237.09048	1.8
238.06270	1.1
239.03427	1.5
239.07060	1.3
239.10571	1.4
239.14490	1.0
240.04219	5.3
241.04997	11.7
241.08691	2.6
242.05759	4.5
243.06451	1.6
244.07394	1.0
244.12520	1.2
245.13394	1.2
246.10245	1.0
247.07585	0.9
247.11163	2.0
247.13327	1.9
249.09088	1.5
250.09811	1.4
251.03497	2.5
251.07086	2.1
251.10664	1.5
252.07852	1.7
253.04901	2.1
253.08734	2.7
253.12285	1.1
254.05742	2.5
254.09326	1.4
255.06505	10.8
256.07288	14.0
257.04532	3.8
257.08054	6.6
258.13727	1.3
259.11301	1.2
259.14801	1.5
260.12033	1.1
261.12872	1.8
262.10004	1.7
263.07349	1.1
263.10480	1.7
264.07904	1.5
264.11505	1.7
265.08682	3.7
265.12408	1.1
266.05859	1.1
266.09314	1.6
267.06592	3.1
267.10242	2.6
268.03757	2.4
268.07468	1.1
269.04514	1.3
269.08127	3.5
269.11301	0.9
270.08917	1.8
271.06097	2.4
271.09665	1.6
272.06747	5.0
273.07513	1.0
273.13080	1.1
274.13766	1.0
274.16907	0.9
275.10782	1.9
275.14307	4.1
276.11581	1.4
277.08679	1.9
277.12308	2.3
277.15686	1.3
278.09485	2.1
278.13010	1.1
279.06644	2.1
279.10175	4.3
279.13757	1.4
280.07254	2.3
280.10709	1.4
281.08206	2.0
281.11795	1.4
282.08905	1.1
283.06052	6.9
283.09427	2.0
283.14795	1.1
284.06821	4.2
284.10095	1.2
285.07639	7.0
285.11288	3.3
287.09128	49.3
288.09561	2.2
291.07031	1.3
291.10248	2.8
292.10947	3.9
293.08136	3.0
293.11765	4.7
294.08612	1.0
294.12418	2.0
295.06076	2.3
295.09744	5.9
295.13428	4.4
296.06860	1.9
296.10373	2.3
297.07639	9.0
297.11276	3.5
298.08395	2.7
299.05841	1.5
299.09134	4.7
300.06308	4.0
300.10001	2.3
301.07242	1.3
301.10919	1.8
301.15967	3.1
303.17264	1.0
305.11578	1.5
306.12558	3.0
307.09644	4.1
307.13354	13.4
308.06683	2.8
308.10464	3.1
308.13974	2.4
309.07474	2.2
309.11261	4.2
309.14801	2.9
310.08475	2.0
310.11954	2.3
310.15652	2.5
311.05823	1.3
311.09177	3.1
311.12845	3.6
312.09863	4.5
312.13321	1.9
313.07181	1.5
313.10733	7.1
315.08676	18.7
315.12283	2.3
316.09171	2.6
316.18359	1.3
321.11246	2.8
322.12000	3.4
322.15543	23.8
323.09122	7.3
323.12839	13.4
323.16074	1.5
324.09796	2.7
324.13480	3.7
325.10739	7.4
325.14462	3.1
326.07919	1.6
326.11429	2.1
326.15045	2.1
327.08612	2.7
327.12363	4.4
328.13004	4.0
329.10208	2.4
329.13788	1.4
330.11014	1.7
331.11771	2.4
332.12619	1.9
336.13840	1.4
337.10736	2.0
337.14359	6.4
338.11426	1.7
338.15085	19.1
339.08517	1.5
339.12262	5.5
339.15826	2.5
340.09421	1.8
340.12946	4.8
341.10388	4.5
341.13861	2.7
341.17148	4.8
342.10898	3.6
342.14731	3.6
343.08136	3.6
343.11765	3.5
344.12234	1.3
345.13376	5.8
346.14014	3.7
351.12115	1.4
352.16681	2.9
353.10107	1.9
353.13733	5.1
353.17529	23.5
354.14438	6.7
354.18188	2.2
355.11752	11.9
355.15588	3.6
356.12350	2.7
358.10428	1.7
359.14926	3.7
361.22021	1.0
366.14777	1.4
368.16089	2.1
369.13263	2.4
369.17068	28.7
370.17529	1.8
371.14999	4.9
373.16962	2.2
379.20654	2.0
382.10184	1.1
383.18576	3.0
384.19308	100.0
385.16235	4.1
385.20511	7.3
386.16959	1.2
397.12564	4.9
397.21396	4.3
400.18842	18.5
401.19284	1.1
415.21329	45.7
415.26035	2.8
416.21780	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.0
57.97805	0.7
59.05003	1.2
64.53924	0.7
67.05493	1.7
69.22700	4.6
69.23110	1.3
75.04453	1.3
81.07062	1.9
83.04993	3.7
91.05457	2.0
93.07041	3.2
95.08608	4.3
99.04455	4.6
105.07028	2.5
107.08595	1.5
111.04446	1.9
111.08073	1.6
116.55984	0.7
117.06965	1.1
119.08576	2.4
119.20161	0.7
121.10114	0.9
127.03905	2.0
128.06256	0.9
129.06984	2.0
131.08618	2.0
133.10124	2.5
141.06943	1.5
143.08568	2.3
145.06528	0.7
145.10103	1.3
153.07013	1.3
154.07738	0.8
155.08556	21.2
155.92088	0.7
156.09161	1.4
157.10120	2.2
159.11630	2.1
166.07672	0.9
167.08525	1.4
169.10132	2.8
171.04359	0.8
171.11647	5.2
175.07542	1.0
178.07770	0.8
179.07088	1.7
179.08574	3.0
181.06497	1.7
181.10086	2.4
183.08221	1.0
183.11685	1.1
185.06027	1.0
192.09323	0.8
193.10143	2.9
194.10857	1.8
195.04701	0.9
195.06467	1.0
195.08069	1.4
195.11716	2.1
197.06046	1.4
197.13243	1.3
198.06775	1.7
199.03957	1.1
199.07487	2.4
200.08308	1.5
201.05530	2.0
203.08536	1.0
204.09370	1.0
205.08488	1.1
205.10202	1.6
206.10910	1.6
207.08006	1.3
207.11644	1.9
208.12450	3.1
209.05826	0.9
209.09689	1.2
209.13237	1.9
210.06743	1.3
211.07582	2.8
211.14807	9.7
213.05473	3.1
213.09070	1.2
214.06192	1.9
215.06903	0.9
217.10100	2.1
218.10727	1.0
219.08107	1.2
219.11632	4.8
220.12404	2.1
221.09647	1.3
221.13248	4.2
223.07535	2.1
223.14757	6.5
224.04718	1.0
224.08325	1.8
225.05376	2.1
225.09097	1.8
226.06248	1.9
226.09683	0.9
226.69716	0.8
227.07018	5.5
228.07729	1.3
229.05054	1.2
229.08403	1.0
230.11179	1.0
231.11760	2.7
232.12466	2.2
233.13341	2.4
234.14235	0.8
235.07518	3.2
235.14862	2.0
236.08330	1.2
237.05521	1.7
237.09081	1.7
238.06242	1.7
238.09856	0.8
239.07005	2.7
239.10713	2.5
240.04144	2.5
240.07881	2.1
241.04843	5.3
241.08525	3.9
242.05833	1.3
243.06558	1.3
244.07257	0.7
244.12643	1.6
245.13277	6.7
246.14014	1.9
247.14873	3.5
248.08173	0.9
248.15564	0.9
249.09216	1.5
249.16338	1.7
251.03484	1.7
251.07002	3.2
251.10739	1.3
252.07878	3.0
253.08617	3.8
253.12209	1.1
254.05765	3.2
254.09383	2.2
255.06503	7.8
255.10158	1.6
256.07303	10.4
257.04477	2.1
257.08044	4.7
257.13229	1.3
259.14902	3.5
260.15564	2.6
261.09268	0.9
261.16446	5.1
262.09946	2.1
263.07065	3.1
263.10638	1.4
264.07751	1.6
265.05313	0.7
265.08575	4.6
265.12033	1.0
266.05707	1.2
266.09277	1.4
267.06613	3.4
267.10147	6.7
268.04224	0.9
268.07367	3.4
269.04492	2.0
269.08105	9.2
269.11316	1.3
270.08783	2.0
271.06021	1.3
271.09628	2.8
271.14667	1.6
272.06790	2.1
273.16351	2.4
274.17126	1.7
275.15067	0.9
275.17868	4.3
276.18652	0.8
277.08701	2.3
277.19571	0.9
278.09305	3.7
279.06555	2.2
279.10150	4.0
280.07269	2.6
280.10800	2.9
281.04828	0.8
281.08057	4.8
281.11652	2.4
282.05267	1.0
282.08838	3.3
282.12592	2.7
283.06360	4.0
283.09250	3.6
283.12509	0.9
284.06793	8.4
284.10034	1.2
285.07538	4.4
285.11172	2.2
287.09146	25.0
287.17911	2.1
288.09299	1.1
289.19556	2.7
291.10239	1.2
292.10901	1.0
293.04730	0.8
293.08102	3.1
293.11719	6.2
294.08841	2.7
294.11920	0.8
295.06332	1.1
295.09576	9.9
296.06808	1.9
296.10431	2.3
297.07574	14.2
297.11194	7.6
298.08261	3.9
298.11954	3.0
299.05679	1.3
299.09167	13.9
300.06219	2.1
300.09756	2.9
301.10779	1.5
301.19476	7.6
303.21045	1.9
305.08084	1.9
305.11462	1.1
306.08966	1.0
307.09589	1.4
308.10291	1.9
308.14084	2.2
309.07489	2.7
309.11209	5.6
310.08383	3.7
310.12003	4.3
311.05670	1.3
311.09082	4.6
311.12778	6.4
312.06390	1.6
312.09940	16.4
312.13492	2.3
313.07028	4.4
313.10660	9.0
313.14362	1.9
313.19485	1.1
314.07785	1.4
314.11392	2.2
315.08621	6.8
315.12186	1.9
315.21191	1.0
316.21777	2.8
320.10486	1.9
321.11124	7.4
322.11786	1.0
323.09171	1.6
323.12888	1.3
324.09866	2.0
324.13522	1.4
325.10690	15.7
325.14246	0.8
326.07831	1.5
326.11203	4.5
327.08597	9.6
327.12204	2.3
328.09314	3.7
328.13095	4.3
329.10120	3.6
331.11716	1.4
335.12943	1.8
336.09949	1.4
336.13635	1.5
337.10730	3.1
339.12271	3.7
339.15854	1.3
340.13046	36.2
341.10129	4.1
341.13763	11.0
342.10977	17.0
342.14502	1.6
343.08026	2.9
343.11758	21.5
343.15454	3.1
344.12094	1.8
351.12256	10.6
352.12894	1.8
353.13992	1.4
354.14539	1.7
355.11658	2.5
355.15433	1.0
356.12436	6.9
358.10272	1.9
366.14615	26.5
367.11499	1.1
367.15430	10.2
369.13309	1.2
371.14886	43.8
372.15216	2.4
373.12845	10.3
382.14053	4.2
383.14789	1.2
384.15549	5.8
385.16422	29.9
386.16595	2.1
397.16525	9.7
400.15060	2.0
400.23862	1.2
415.18091	12.3
415.26291	100.0
416.26538	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94252	0.6
64.72412	0.7
64.98964	0.7
69.41461	3.9
75.04458	2.6
80.46647	0.8
98.89435	0.7
112.88779	0.7
133.06514	0.8
152.04140	0.8
152.06203	1.0
165.06975	1.9
167.08563	0.8
169.06433	1.0
169.14024	0.7
179.08511	1.6
181.06502	3.3
182.07204	1.1
183.08032	1.4
185.05885	1.1
189.07066	1.0
191.08577	1.2
193.06491	0.9
194.07224	1.9
195.08047	2.7
196.08896	1.3
197.05937	1.7
197.09659	1.2
198.06769	1.6
199.07527	2.0
203.06998	1.0
205.06549	1.8
206.07175	1.6
207.08072	2.2
209.05927	2.5
209.09592	2.5
210.06734	3.3
211.07526	6.6
211.11208	1.0
212.08217	1.5
213.05489	1.4
213.09128	2.2
219.08064	1.6
220.08780	0.8
221.05952	1.7
221.09531	1.9
222.06728	2.0
223.03906	1.1
223.07486	5.3
224.08253	5.2
225.05542	3.6
225.09065	4.0
226.06201	4.1
226.09726	1.1
227.07004	6.2
227.10667	1.9
228.07791	1.7
229.08426	1.3
233.09615	1.1
235.07466	6.3
236.04607	1.0
236.08354	4.3
237.05489	2.6
237.09106	6.2
238.06270	4.4
238.09874	2.2
239.06998	7.6
239.10637	9.1
240.04225	1.2
240.07797	6.8
241.04929	2.5
241.08572	8.7
241.12251	1.0
242.05733	2.1
242.09406	4.3
243.06572	2.8
243.09674	0.8
247.07553	1.4
248.08284	1.9
249.05527	1.0
249.09038	3.7
250.06285	2.6
250.09845	3.2
251.07033	8.3
251.10649	3.0
252.07825	7.4
252.11429	1.8
253.04951	2.2
253.08548	8.5
253.12230	1.7
254.05756	7.7
254.09338	7.8
254.13168	0.8
255.06514	9.1
255.10167	6.5
256.03314	0.8
256.07260	5.0
256.10883	1.0
257.04388	1.1
257.08038	4.9
258.09018	1.2
261.09213	1.4
262.09924	2.8
263.06982	5.2
263.10828	1.7
264.07861	3.7
265.05493	1.1
265.08591	10.4
265.11884	1.1
266.05792	2.5
266.09384	5.5
267.06546	8.1
267.10153	17.6
268.07291	10.1
268.10773	4.9
269.04517	2.3
269.08075	15.3
269.11685	3.5
270.05307	2.3
270.08835	5.9
271.06091	4.7
271.09335	3.8
272.06830	1.3
273.11209	1.1
276.07748	1.0
277.08652	4.0
278.09366	7.5
279.06531	4.3
279.10147	7.9
280.07318	9.4
280.10931	3.9
281.04865	1.2
281.08075	10.2
281.11658	3.1
282.05280	2.5
282.08826	10.7
282.12451	9.1
283.06049	5.9
283.09616	16.3
283.13095	3.4
284.06784	17.9
284.10257	4.2
285.04187	1.7
285.07516	13.2
285.11121	2.1
286.08163	2.3
291.06711	0.9
291.10110	2.4
292.07092	1.0
292.10941	1.1
293.08054	7.1
293.11691	6.0
294.05594	1.4
294.08859	6.0
294.12073	1.2
295.06094	4.3
295.09604	30.8
296.06775	6.4
296.10330	6.2
297.04105	1.7
297.07538	15.9
297.11200	11.5
298.08310	10.8
298.11926	4.1
299.05627	3.4
299.09085	29.2
299.12469	1.6
300.06229	6.0
300.09845	9.5
301.07480	0.9
301.10605	4.7
305.07965	2.5
305.11661	1.3
307.09576	2.6
307.12939	0.9
308.07001	1.2
308.10397	2.4
309.07559	5.8
309.11209	13.1
310.08347	10.8
310.12012	28.2
311.05511	1.9
311.09125	17.7
311.12698	8.8
312.06238	5.0
312.09900	18.8
312.13324	1.6
313.06989	4.9
313.10663	18.5
313.14343	7.7
314.07712	3.7
314.11304	3.6
315.08618	12.9
315.12292	5.9
316.09183	1.9
319.09549	1.3
320.10446	5.9
321.07434	1.9
321.11023	9.5
322.11804	1.5
323.09085	3.1
323.12790	4.4
324.09836	2.2
324.13394	1.9
325.10669	44.8
326.07831	4.5
326.11380	25.9
327.08600	25.9
327.12164	5.3
328.05811	1.3
328.09348	8.9
328.12961	1.4
329.10141	13.2
330.10901	2.2
331.11746	3.0
334.12009	1.6
335.12766	2.6
336.09882	2.0
336.13605	2.0
337.10754	2.3
338.11331	1.0
339.12244	4.6
340.13049	75.9
341.10132	35.0
341.13821	55.0
341.16995	0.7
342.10907	48.9
343.07980	8.5
343.11746	18.3
343.15665	1.4
344.12280	1.5
351.12250	15.5
352.12967	3.2
353.10034	1.4
353.13864	2.1
354.14481	0.9
355.11829	7.1
355.15732	1.2
356.12506	55.0
357.09467	0.7
357.13190	9.1
358.10400	12.5
359.10974	1.2
365.13776	2.6
366.14603	22.0
367.11343	1.3
367.15518	5.5
368.12665	2.2
369.13324	1.9
371.14890	100.0
372.15274	7.4
373.12799	53.9
374.13065	3.7
382.14102	2.3
383.14883	25.9
384.15610	16.5
385.16229	3.2
397.16467	10.9
400.15155	5.9
415.17496	80.2
416.17844	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05007	1.6
70.35032	2.2
75.04468	1.7
76.82622	0.8
79.05489	1.0
93.07008	0.9
95.08643	0.9
98.32443	0.7
99.04449	2.4
103.05360	0.6
105.03420	1.4
105.07089	0.7
119.08585	1.8
127.04013	0.7
155.52274	0.7
165.06981	1.7
169.06462	1.3
170.07288	1.2
179.08458	0.8
181.06517	1.9
182.07216	1.1
183.08020	1.4
193.06505	1.2
194.07275	0.8
195.07962	1.7
197.06007	2.2
197.13136	0.7
198.06874	1.7
199.07552	1.5
207.08087	3.3
208.08804	0.8
209.06058	2.6
209.09500	1.0
210.06732	2.2
211.07504	4.1
212.04637	1.0
212.08293	1.7
213.05466	2.0
213.09059	2.5
214.06216	0.9
215.06952	0.8
219.08038	1.2
221.05984	1.7
221.09732	1.7
222.06813	1.9
223.07620	2.1
223.11151	0.8
224.08417	3.5
225.05495	3.3
225.09126	4.0
226.06226	4.5
226.09758	1.1
226.43530	0.8
227.07014	5.8
227.10762	1.0
228.07671	1.7
229.05014	1.0
229.08565	1.3
234.06813	2.3
234.10023	0.8
235.07426	4.1
236.08220	3.4
237.05415	3.9
237.09048	4.8
238.06230	2.5
238.09869	1.3
239.07039	5.9
239.10684	5.7
240.04196	1.0
240.07732	3.8
241.04985	3.8
241.08563	6.8
242.05664	1.1
242.09344	1.3
243.06462	2.0
247.07484	1.5
248.08340	1.7
249.05424	0.9
249.09134	2.6
250.06296	2.0
250.09900	2.7
251.07013	5.2
251.10713	3.1
252.07855	5.0
252.11536	1.0
253.05067	2.7
253.08478	5.8
254.05750	4.2
254.09309	4.6
254.12984	0.8
255.06479	7.1
255.10165	5.1
256.07306	5.7
256.10974	1.0
257.04608	1.3
257.08054	4.2
261.09088	0.8
262.09717	1.3
263.06967	4.7
264.07880	3.6
265.05502	1.3
265.08575	9.1
265.11520	1.2
266.05759	1.8
266.09357	4.3
267.06555	5.9
267.10178	13.5
268.07288	7.5
268.10889	3.8
269.04474	2.9
269.08072	12.2
269.11618	3.0
270.05298	2.1
270.08804	4.1
271.06036	6.5
271.09634	2.9
272.06793	2.2
273.11288	0.8
275.18045	1.1
277.08667	2.9
277.12265	1.1
278.09247	3.8
279.06607	3.1
279.10178	6.3
280.07318	4.9
280.10977	3.9
281.04648	1.8
281.08105	8.3
281.11728	4.1
282.05621	1.3
282.08875	6.8
282.12531	6.6
283.06058	4.9
283.09634	9.1
283.13257	2.6
284.06808	15.7
284.10269	3.2
285.04248	1.4
285.07568	12.5
285.11185	2.2
286.04956	0.9
286.08191	2.6
287.09177	6.5
289.08585	0.8
291.06659	0.9
291.10107	1.0
292.10989	1.2
293.08099	5.0
293.11691	5.1
294.05551	1.2
294.08847	4.1
294.12326	1.5
295.06076	3.2
295.09601	17.6
295.12961	1.6
296.06726	4.3
296.10379	4.6
297.04242	0.9
297.07574	10.8
297.11221	14.3
298.04816	1.6
298.08325	7.5
298.11945	4.3
299.05536	12.3
299.09164	24.0
299.12378	1.3
300.06277	7.1
300.09888	8.2
301.07059	1.4
301.10687	2.9
305.08246	1.5
305.11639	1.7
307.09647	2.4
307.13028	0.9
308.06934	1.3
308.10434	2.5
308.13904	1.0
309.07568	6.0
309.11230	9.7
310.08344	7.6
310.12015	12.6
311.05618	1.2
311.09128	10.6
311.12769	8.4
312.06210	2.5
312.09897	11.1
312.13522	5.0
313.07043	20.2
313.10699	12.8
313.14444	3.8
314.07785	8.5
314.11417	2.5
315.08679	13.7
315.12247	3.0
316.09262	1.5
319.09662	1.4
320.10397	2.6
321.07666	1.2
321.11099	5.3
323.09097	2.7
323.12784	2.1
324.09875	3.0
324.13470	1.6
325.07364	1.4
325.10687	33.4
325.14050	1.5
326.07819	1.7
326.11362	12.2
327.08676	21.9
327.12219	4.8
328.09320	5.8
328.13110	2.1
329.10162	33.5
329.14069	1.7
330.10654	3.3
331.11710	2.1
334.12000	1.9
335.09045	1.6
335.12750	2.4
336.09903	1.1
336.13510	2.0
337.10596	2.4
338.11334	1.3
339.08435	1.1
339.12238	5.1
339.15796	1.3
340.13037	66.0
341.10114	13.8
341.13791	27.4
342.10916	39.0
342.14050	2.4
343.08017	5.4
343.11694	15.1
343.15430	3.8
344.12219	1.3
351.12189	7.9
352.13095	2.0
353.10089	1.3
353.13943	1.5
354.14682	1.7
355.11783	5.7
355.15485	1.8
356.12463	21.3
357.09268	1.6
357.13272	12.2
358.10507	6.2
364.78647	0.8
365.13828	1.5
366.14584	11.9
367.11737	1.1
367.15485	7.0
369.13220	1.0
371.14883	83.5
372.15240	7.5
373.12814	28.9
374.13181	3.4
382.14111	2.3
383.14822	4.9
384.15732	5.4
385.11945	1.0
385.16495	13.8
386.16962	1.3
397.16605	5.7
400.15161	2.7
415.17508	100.0
415.26474	2.7
416.17795	8.9
419.99701	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.175
Annotation	Pyramidatin G
Peak:m/z	Relative Intensity
50.21045	0.9
57.73639	0.9
59.04986	1.9
59.85538	0.9
69.79410	2.8
75.04485	1.5
83.52319	0.8
105.05547	0.9
112.68710	0.9
118.31882	1.1
122.67500	0.8
165.06955	1.4
179.08597	1.7
181.06502	3.2
183.08002	1.5
194.07269	1.7
195.07974	2.1
196.08795	1.3
197.05946	1.8
198.06723	1.3
199.07565	2.8
207.08162	2.3
208.08710	1.5
209.05916	1.4
209.09624	1.3
210.06819	2.7
211.07527	4.8
212.08305	1.4
213.09180	2.0
219.08067	1.6
221.09663	1.8
222.06717	1.4
223.07533	3.5
224.08383	3.2
225.05583	2.1
225.09137	3.5
226.06190	3.4
227.06952	4.4
227.10580	1.1
228.07858	1.1
235.07613	5.8
236.08266	2.3
237.05367	2.1
237.09120	4.6
238.06178	1.4
238.09882	2.5
239.07011	4.8
239.10657	3.6
240.07805	3.2
241.04904	2.1
241.08618	8.0
242.05794	1.1
242.09300	2.4
242.73227	1.0
247.07579	1.8
249.09105	3.8
250.09731	1.3
251.07025	6.1
251.10669	3.2
252.07822	7.2
253.04877	1.8
253.08499	4.8
254.05872	4.2
254.09476	3.7
255.06461	6.8
255.10075	3.9
256.07379	4.4
256.10776	1.2
257.08133	4.0
262.09863	2.0
263.07098	4.5
263.10626	1.2
264.07800	1.6
265.04993	1.2
265.05859	1.3
265.08615	9.0
266.06018	1.2
266.09393	5.0
267.06595	7.3
267.10184	14.5
268.07318	6.5
268.10815	2.5
269.04898	1.8
269.08087	11.0
269.11707	3.7
270.05307	1.5
270.08850	4.8
271.06000	2.4
271.09595	4.0
272.06711	1.5
275.07178	1.2
275.10638	1.2
277.08578	2.8
278.09290	4.8
279.03732	0.9
279.06528	3.5
279.10168	6.0
280.07321	3.4
280.10934	5.6
281.08109	9.1
281.11597	2.6
282.05634	1.7
282.08862	9.2
282.12497	6.8
283.06036	4.5
283.09662	8.3
283.13269	2.8
284.06805	16.2
284.10287	3.5
285.07553	9.9
285.11111	2.5
286.08527	1.5
291.10153	1.5
292.10922	1.5
293.08072	4.1
293.11746	6.0
294.08731	4.7
294.11844	1.0
295.06097	3.0
295.09549	17.8
296.06726	3.0
296.10388	5.1
297.04379	1.7
297.07617	9.4
297.11240	15.9
298.08295	5.4
298.11893	4.7
299.05643	3.3
299.09097	24.7
299.12289	1.1
300.06311	3.6
300.09842	10.3
301.10654	3.5
305.08099	1.7
306.08841	1.4
307.09622	2.5
307.12939	1.4
308.10373	2.1
309.07556	5.2
309.11227	9.4
310.08295	8.4
310.11981	10.5
311.05612	1.9
311.09070	8.3
311.12778	8.2
312.06253	3.2
312.09906	15.2
312.13571	5.2
313.07004	4.4
313.10672	15.0
313.14270	3.3
314.07797	2.3
314.11386	3.9
315.08649	5.8
315.12152	2.9
316.08908	1.1
319.09628	2.0
320.10419	1.2
321.11121	6.4
322.11844	1.6
323.09268	1.2
323.12830	2.6
324.09830	3.3
324.13336	1.7
325.10693	33.8
325.14090	1.8
326.07944	1.8
326.11359	10.2
327.08701	17.3
327.12302	3.4
328.05859	1.5
328.09308	4.4
328.13129	3.9
329.10095	8.8
330.10822	2.0
331.11823	2.4
334.12061	1.4
335.12888	2.5
336.09866	1.8
336.13599	2.6
337.10626	3.4
337.14249	1.2
339.12234	5.9
340.13049	81.7
341.10098	9.0
341.13760	28.4
342.10931	43.6
342.14056	2.5
343.08014	4.1
343.11719	21.8
343.15485	6.2
344.12100	1.4
345.13217	1.3
351.12244	8.8
352.12976	3.6
353.13699	2.1
354.14771	2.0
355.15445	1.6
356.12463	15.3
356.16266	0.7
357.13181	4.8
357.17178	1.1
358.10391	7.9
365.13828	1.7
366.14658	17.8
367.11435	1.5
367.15390	12.4
371.14877	100.0
372.15222	10.9
373.12750	34.6
373.17438	1.7
374.13214	3.4
382.14096	3.3
383.14801	1.8
384.15536	3.2
385.16458	30.5
386.16541	1.9
397.16467	10.8
398.16440	1.8
400.15240	1.9
415.17490	45.5
416.17807	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.175
Annotation	Pyramidatin G
Peak:m/z	Relative Intensity
55.05508	4.7
59.70742	2.1
67.05505	17.8
69.07066	10.5
70.19931	5.1
79.05499	14.1
81.07063	18.1
83.04984	3.5
91.05483	10.2
93.07045	19.7
95.08611	18.5
98.98469	21.6
105.07027	13.2
107.08597	17.1
109.10163	10.0
117.06992	3.7
119.08581	19.8
121.10159	15.8
123.11743	6.6
128.06250	2.5
129.06998	3.9
131.08598	12.1
133.10136	8.4
135.08041	3.2
135.11708	8.0
141.06953	3.3
143.08557	5.9
145.10133	17.2
147.11707	8.1
149.13286	7.2
155.01024	24.4
155.08542	3.4
157.10194	5.1
159.11716	13.2
161.13293	6.1
163.14803	4.8
167.08575	3.3
169.10159	4.5
171.11707	6.6
173.13315	10.0
175.14830	3.8
178.95094	3.1
181.06494	4.6
183.11742	4.9
185.06042	5.4
185.13315	7.5
187.14848	8.7
197.05978	5.4
197.09454	2.5
198.06831	4.4
199.07581	10.2
199.11151	2.9
199.14815	4.0
201.12814	5.3
207.08101	2.7
207.11739	2.3
209.09619	2.8
210.06772	3.7
211.07634	7.6
211.14787	3.6
213.05449	5.2
213.09201	4.2
213.12752	3.2
214.06209	2.5
215.14279	3.6
215.17960	3.4
223.07492	2.8
224.08379	4.6
225.05370	3.7
225.09178	3.2
226.06232	5.7
227.07011	27.4
228.07747	4.5
229.16035	2.5
233.13190	3.5
235.07553	3.3
236.08426	3.0
237.09070	4.7
238.06372	3.1
239.06996	8.5
239.10698	5.1
239.14299	2.9
240.07880	4.9
241.05025	8.1
241.08495	12.9
242.05760	4.9
242.09431	6.5
243.06361	2.6
243.21141	8.2
249.09038	5.1
250.09874	3.5
251.10704	3.6
252.07869	2.9
253.08708	5.3
253.12265	3.5
254.05750	6.6
254.09389	3.9
255.06458	14.2
255.10196	5.6
256.07349	13.9
257.04596	3.6
257.08127	10.0
261.22128	24.8
262.09995	4.6
263.07031	3.0
263.10657	3.6
264.07962	4.5
265.08588	8.6
266.09348	3.1
267.06500	6.7
267.10162	12.5
268.07275	9.6
268.10870	2.8
269.05215	4.2
269.08176	20.5
269.11090	2.9
270.08798	7.1
271.06009	8.3
271.09573	5.9
272.06647	4.0
273.07544	3.6
277.08636	4.9
278.06400	2.4
278.09415	10.8
279.06598	3.8
279.10132	7.2
280.07309	5.2
280.10849	4.4
281.08136	7.3
281.11890	3.4
282.05283	2.5
282.08939	8.3
282.12299	3.5
283.06268	6.0
283.09775	12.1
284.06839	22.0
284.09930	4.6
285.04575	4.7
285.07574	39.3
285.10724	4.2
286.08160	6.0
287.09113	17.3
289.19519	3.6
291.06473	3.3
291.10144	5.1
293.08084	10.1
293.11752	9.2
294.08981	5.7
295.06268	3.2
295.09668	14.0
296.06757	6.5
296.10422	8.0
297.07584	12.7
297.11200	13.4
298.08380	10.0
298.11880	5.5
299.05719	6.0
299.09155	89.0
299.12488	3.7
299.68408	2.4
300.06549	4.4
300.09879	100.0
301.07022	4.1
301.10461	23.0
304.09387	3.7
305.08109	3.9
306.08926	3.1
308.10278	5.9
308.13913	6.0
309.07669	6.1
309.11319	9.5
310.08240	6.3
310.12036	13.2
311.05978	3.0
311.09158	11.0
311.12790	11.2
312.06714	2.8
312.09921	13.9
312.13318	4.3
313.07101	5.9
313.10745	18.5
313.14087	4.2
314.07913	3.0
314.11368	3.8
315.08636	19.0
315.11850	4.6
316.09351	4.4
318.10889	3.0
319.12131	4.1
320.10330	5.3
321.07709	3.9
321.11090	13.0
322.11630	2.7
323.09262	4.4
323.12817	4.8
324.09967	5.5
324.13452	3.6
325.10770	31.9
325.14243	5.0
326.08078	3.8
326.11465	14.4
326.14844	4.0
327.08646	18.8
327.12289	11.0
328.09445	6.8
328.12924	3.7
329.10196	21.8
331.11728	33.0
332.12225	2.9
335.12750	6.8
336.13669	3.6
337.10760	6.1
339.12225	8.7
339.16022	2.7
340.13040	53.5
341.10153	14.3
341.13831	29.0
342.10944	39.4
342.14719	4.4
343.08133	4.6
343.11725	25.9
343.15479	5.5
351.12241	28.8
352.13052	5.6
353.13956	7.8
354.14642	8.9
355.11713	6.3
355.15594	3.7
356.12439	19.1
356.16257	49.6
357.13196	9.2
357.17111	12.7
358.10510	5.0
366.14618	50.7
367.15350	22.9
369.13361	4.3
370.14032	4.0
371.14896	57.2
372.15512	6.6
373.12842	41.0
373.46387	2.6
374.13110	3.6
382.14215	4.9
383.14685	8.0
384.15643	7.3
385.16452	35.9
386.16934	5.0
387.18069	41.9
397.16534	30.3
397.28769	2.7
398.16574	3.6
400.15152	5.4
415.17560	90.4
415.30499	35.3
416.17923	6.9
416.30548	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57972	1.1
69.08901	10.8
69.91424	1.1
91.05462	3.4
93.87778	1.1
94.30506	1.2
105.06983	2.2
105.88568	1.2
107.04942	2.5
109.06496	1.2
117.07036	1.1
119.04911	2.9
122.03651	1.9
128.06206	2.3
129.06999	4.7
131.04903	2.2
131.08572	7.0
133.10081	1.5
137.05989	22.1
141.06972	3.9
147.04407	3.2
151.07507	2.2
157.06512	3.6
158.07265	3.9
159.08034	3.7
161.05975	5.6
161.09612	1.6
162.06689	1.4
165.07060	1.7
170.07309	1.7
173.09663	2.3
174.06760	6.6
175.07510	2.9
182.07204	1.2
185.09645	4.0
186.06699	2.6
187.07468	1.2
187.11229	1.3
189.09143	9.1
197.09509	2.8
198.06744	4.9
199.07558	2.4
200.08263	1.2
201.09123	4.0
205.08554	1.6
212.08380	1.5
213.09068	6.6
217.08574	1.5
218.05467	2.6
219.10173	7.8
225.09010	5.5
235.16927	1.1
243.10194	9.8
255.10112	2.4
273.08408	1.9
273.11200	19.9
274.11514	1.6
307.09824	1.7
308.10568	1.5
312.24689	1.2
321.11044	1.5
335.12927	1.3
349.14285	2.1
351.12366	1.7
354.14664	2.5
367.15433	2.6
379.15274	2.3
397.16409	23.4
398.16888	1.9
415.13556	100.0
415.18109	6.4
416.13913	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
66.26892	1.7
69.07352	8.0
69.07770	5.7
75.04468	3.0
86.13599	1.5
91.05489	2.8
91.51810	1.8
98.23342	3.3
119.08574	11.6
181.06511	2.9
195.08153	2.8
197.05981	2.6
197.09460	2.0
198.06863	3.1
199.07518	2.3
207.08087	3.7
209.09660	4.3
210.06911	2.1
211.07603	6.3
211.11221	1.8
212.08305	2.2
213.05525	2.3
221.01410	1.7
221.09636	3.4
224.08339	2.9
225.05481	3.2
225.09102	5.2
226.06291	5.4
227.07042	7.8
227.10619	3.2
234.06737	2.2
235.07495	7.5
236.08374	4.9
237.05498	2.2
237.09116	6.7
238.06335	2.7
239.07062	7.1
239.10698	6.2
240.07863	5.4
241.04970	3.3
241.08623	11.3
242.09267	3.9
243.06660	1.9
245.13379	1.9
247.07753	2.9
249.09134	3.7
250.09921	2.6
251.07028	7.0
251.10738	4.5
252.07806	8.1
253.05035	2.7
253.08592	8.9
254.05719	7.8
254.09392	5.0
255.06442	9.5
255.10185	6.8
256.07425	4.8
257.08087	7.1
261.08884	2.1
262.09808	3.0
263.07147	4.4
264.07761	3.8
265.05054	2.7
265.08594	10.5
265.11917	1.4
266.05789	2.5
266.09378	6.7
267.06580	7.6
267.10168	18.8
268.07294	10.7
268.10730	5.7
269.08142	16.1
269.11743	5.0
270.05264	2.4
270.08786	6.5
271.06000	4.5
271.09644	4.5
277.08624	4.2
278.09442	8.5
279.06537	5.0
279.10162	9.3
280.07495	8.1
280.10986	6.6
281.08102	12.1
281.11719	4.9
282.05612	2.7
282.08868	9.7
282.12485	9.8
283.06097	7.0
283.09656	16.4
283.12756	2.1
284.06818	15.6
284.10278	4.3
285.07529	12.6
285.10742	2.8
286.08273	3.2
291.10168	3.5
293.08136	5.5
293.11838	5.2
294.08792	5.9
295.06122	5.1
295.09613	29.6
296.06848	7.4
296.10367	7.4
297.07632	18.0
297.11243	12.4
298.08395	13.3
298.11954	5.8
298.18909	1.8
299.05606	5.0
299.09140	28.2
299.12451	1.8
300.06290	5.2
300.09827	10.4
301.10751	5.4
305.08163	3.3
307.09683	2.3
308.10526	3.7
309.07596	6.9
309.11240	14.2
310.08392	7.1
310.12039	29.9
311.05621	3.1
311.09100	16.9
311.12811	9.9
312.06396	2.9
312.09964	22.6
312.13394	3.4
313.07144	5.4
313.10703	20.6
313.14386	8.6
314.07938	3.9
314.11404	3.5
315.08636	15.5
315.12283	5.3
319.09589	3.0
320.10406	6.2
321.07858	2.2
321.11078	8.3
323.09146	3.4
323.12589	3.5
324.10168	3.3
325.07285	1.9
325.10703	49.7
325.14526	3.0
326.07852	7.2
326.11514	23.2
327.08655	25.9
327.12155	5.1
328.09320	6.4
328.12894	2.3
329.10245	12.8
330.10956	3.5
331.12015	3.2
335.12766	3.8
336.09769	3.6
337.10800	2.6
339.12271	7.5
340.13058	84.8
341.10153	34.7
341.13858	53.8
342.10950	56.2
342.14310	4.2
343.08051	9.4
343.11700	17.6
343.15460	2.0
344.12338	3.4
351.12186	18.8
352.13004	2.8
354.14819	2.3
355.11655	3.7
355.15500	2.8
356.12518	59.8
357.13190	11.4
358.10458	9.8
358.14304	2.5
366.14655	25.6
367.15320	6.0
368.12360	2.8
369.13269	2.1
371.14917	100.0
372.15262	11.5
373.12793	60.7
373.17398	3.9
374.13303	4.3
382.14182	2.4
383.14917	22.3
384.15573	19.3
384.19623	1.7
385.16403	3.9
385.97192	1.7
397.16364	9.3
400.15143	5.0
415.17526	74.8
415.26358	5.2
416.17746	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00340	0.8
56.28617	0.9
69.07082	3.2
71.08877	1.3
71.09228	1.2
72.67130	0.8
73.06557	4.1
80.01905	0.7
80.91380	0.8
99.08095	12.0
139.05496	1.3
154.92543	0.9
165.07054	1.8
169.06488	2.1
171.08109	1.1
173.35896	0.8
181.06561	1.0
182.07281	1.2
185.06041	1.2
194.07265	0.9
195.08018	1.5
196.67325	0.8
197.06020	3.8
199.07610	3.8
209.06029	2.4
210.06757	3.2
211.07472	7.2
212.04689	1.2
212.08333	2.9
213.08948	1.1
214.06180	1.5
223.07545	1.8
224.08260	1.8
225.05522	4.9
225.09128	2.7
226.06281	3.2
227.07056	7.2
229.08589	1.6
235.07555	1.1
236.08325	1.1
237.05537	1.9
238.06334	2.8
239.07047	8.4
240.07755	6.9
241.04945	1.5
241.08490	4.6
242.05719	3.9
242.09348	1.4
243.06531	1.3
251.07053	2.4
252.07774	1.8
253.04994	3.1
253.08611	6.8
254.05733	5.0
254.09378	4.2
255.06505	15.6
255.10188	2.0
256.07184	2.9
257.08142	5.0
265.08646	1.5
266.05807	1.1
267.06534	8.5
267.10138	1.4
268.07254	6.1
269.08047	15.2
270.05362	2.1
270.08835	8.8
271.06091	1.4
271.09518	2.3
277.08887	0.9
279.10092	1.2
280.07507	1.5
281.05109	1.3
281.08136	3.7
282.05350	2.7
282.08878	7.5
283.06055	10.2
283.09583	4.9
284.06827	3.9
284.10449	4.9
285.07617	12.8
285.11142	4.4
293.07855	1.0
294.08679	1.0
295.06342	1.8
295.09753	2.9
296.06754	3.9
296.10440	1.2
297.07578	37.3
297.10910	1.8
298.08267	14.5
299.09079	9.3
300.06311	2.7
300.09866	5.8
301.10690	1.3
310.08493	1.8
310.11978	2.2
311.09158	8.3
311.12674	2.3
312.09897	58.9
313.07037	18.6
313.10645	27.0
314.07675	1.6
314.11026	1.9
315.08603	7.7
315.12057	2.2
316.09332	3.2
325.10632	2.8
326.11478	5.5
327.08603	6.6
327.11993	1.1
328.09399	45.4
329.10135	11.2
330.11002	6.1
331.11530	2.3
336.09698	0.9
340.13205	5.7
341.10092	2.7
341.13901	4.1
342.10913	3.5
343.11755	100.0
344.12106	7.4
351.12439	2.7
352.12939	1.4
355.12073	1.4
358.10507	1.9
366.14639	0.9
371.15060	4.4
373.12610	2.2
383.14865	2.2
384.15683	5.5
385.16364	2.6
415.17557	11.3
415.26398	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1752
Annotation	Falconensin F
Peak:m/z	Relative Intensity
52.95515	1.8
54.91745	2.1
69.21598	13.2
71.30747	2.5
78.36711	2.0
79.05489	4.2
85.02879	2.2
90.12482	1.9
91.05473	18.8
93.07071	3.0
98.23316	3.8
103.05479	3.8
105.06999	9.9
107.04961	2.4
107.08559	1.9
114.55446	1.9
115.05470	8.5
116.06235	4.0
117.07058	3.9
117.63689	1.9
119.01957	2.1
119.04926	8.2
121.02814	2.5
127.03831	2.4
128.06204	11.1
129.07007	35.7
130.04102	4.9
130.07495	1.8
131.04921	9.9
131.08565	38.7
132.08878	2.2
133.06479	5.2
133.10152	2.9
137.05974	50.9
138.06303	2.9
141.06993	33.3
142.07660	1.7
143.01927	3.6
143.08562	3.8
144.05682	5.4
145.06468	8.1
146.07272	4.5
147.04416	12.4
149.05963	5.5
151.07564	5.2
153.05440	3.5
153.06900	2.6
155.08562	3.9
157.06479	19.0
157.56590	2.0
158.07269	20.1
159.04504	3.4
159.08041	26.0
159.11705	4.8
160.05180	5.6
161.02946	4.1
161.05980	23.4
161.09601	7.0
162.06784	20.4
163.07561	4.7
165.07054	2.0
165.39484	1.9
167.07056	2.5
167.08441	2.3
168.05760	4.0
169.06441	14.2
169.07710	2.5
170.07294	7.7
171.08060	4.7
172.08858	3.1
173.05911	2.6
173.09657	4.0
174.06763	67.6
174.08296	3.4
175.07550	13.3
179.07034	4.0
181.04948	2.8
181.06383	3.1
182.07153	2.8
183.08008	3.3
185.06053	4.3
185.09586	4.7
186.06766	17.2
187.07497	4.0
188.05087	2.1
188.08281	4.4
189.09109	78.5
190.09419	2.2
191.07071	4.5
191.10704	4.4
197.09607	5.6
198.06735	9.2
199.07446	6.2
201.09120	37.4
202.09412	2.3
205.08661	4.5
211.07639	2.8
212.08298	2.9
213.09103	17.6
214.09671	3.4
215.10716	4.4
217.08595	6.9
219.10159	100.0
220.10458	3.6
225.09071	8.7
231.10075	3.0
243.10149	14.3
255.10103	4.1
261.11295	3.1
273.11206	40.6
351.12213	2.5
365.13846	6.2
367.15399	5.7
379.15305	3.8
383.14902	6.0
397.16476	47.3
398.16959	3.1
415.17923	54.4
415.24640	2.5
415.26859	4.1
416.18011	5.6
426.58865	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
70.39832	0.5
70.40137	0.3
88.50552	0.2
98.23375	0.3
131.76045	0.3
137.05983	0.3
157.15218	0.3
168.09335	0.3
203.05243	0.3
235.89191	0.2
253.14120	9.7
254.14392	0.5
295.15091	0.4
369.54587	0.3
371.20383	0.5
415.19354	100.0
416.19711	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09473	1.2
67.05507	1.6
69.07070	5.3
69.24792	8.1
69.26289	1.2
71.67457	1.2
79.05482	2.0
81.07059	2.1
83.08641	1.3
89.06020	2.2
93.07034	3.0
93.85960	1.2
95.04965	1.4
95.08611	1.9
100.91309	1.3
105.07068	3.5
107.08604	3.0
109.10152	2.6
117.07028	1.5
117.78205	1.2
119.08598	5.9
121.06518	1.9
121.10181	2.4
122.06853	1.6
140.11981	1.3
145.10156	4.4
147.11607	1.7
149.02281	1.3
151.11290	1.5
155.08609	2.4
159.08076	1.3
173.09883	1.2
179.69888	1.5
181.08621	1.4
199.14798	1.8
211.07715	2.5
225.09154	2.2
227.07005	2.6
229.08528	2.5
234.10846	1.4
237.54372	1.3
239.07098	3.1
240.07861	2.2
241.05003	2.3
241.08698	4.0
242.09286	2.2
243.06683	1.5
249.09125	1.5
251.10750	2.8
253.08450	2.3
254.09468	3.4
255.06572	4.4
257.08060	8.7
258.08755	3.1
262.09833	1.9
263.10648	2.2
265.08569	2.3
265.12262	2.1
267.06619	2.6
267.10236	3.1
268.07385	2.4
268.11142	1.7
269.08063	4.9
270.08981	4.8
271.06506	1.8
271.09552	5.5
271.15338	2.0
272.10437	4.1
273.07654	6.1
277.08841	1.4
277.12280	2.9
278.12964	1.8
279.10263	4.1
279.13797	1.5
280.07504	1.7
280.10999	2.8
281.08286	2.0
281.11832	2.6
282.08954	3.9
283.06110	2.1
283.09586	3.3
284.07010	2.4
284.10455	6.1
285.07672	8.7
285.11234	5.8
286.08423	1.8
287.09192	1.5
288.09970	2.8
291.10431	1.6
292.11017	2.8
293.11768	5.0
294.12534	1.9
295.09753	5.7
295.13385	6.7
296.10376	3.2
297.07718	4.6
297.11151	3.3
298.08472	1.8
298.11948	3.4
299.09235	4.6
299.12732	3.5
300.09903	8.7
301.07129	3.5
301.10748	4.7
303.12262	1.8
305.11862	2.5
306.12561	2.3
307.09644	5.3
307.13379	14.7
308.10529	2.9
308.13834	1.8
309.11188	5.2
309.14694	2.8
310.12146	4.2
310.15585	2.0
311.09216	4.2
311.12888	4.4
312.10022	5.6
312.13461	2.2
313.10712	8.9
314.11450	2.8
315.08835	2.6
315.12079	13.6
316.09351	4.0
316.12906	3.1
317.10358	2.5
321.11224	3.1
322.11978	5.1
322.15695	15.5
323.12677	17.2
323.15982	1.8
324.13354	2.9
325.10754	2.8
325.14383	2.6
327.08624	3.3
327.12186	12.4
328.13000	17.3
329.10294	5.4
329.13702	3.0
330.10889	2.3
331.11746	16.0
332.12552	9.4
337.14468	6.4
338.11377	2.3
338.15079	28.5
339.12378	6.3
339.15857	2.7
340.13123	5.9
341.13773	6.3
341.17682	4.9
342.10880	2.8
342.14648	20.7
343.11832	5.9
343.15430	1.9
344.12592	6.0
345.13150	6.3
346.14075	27.2
347.14771	7.4
352.16837	3.5
353.13782	5.1
353.17590	16.9
354.14621	7.6
354.18472	2.7
355.15497	3.4
356.12524	2.6
357.13422	2.7
358.14163	4.2
359.14874	16.7
360.15677	2.8
368.16388	1.8
369.16943	33.0
370.17645	2.3
371.14825	7.0
372.15747	2.2
373.12405	2.4
373.16510	17.6
374.17035	1.8
383.18671	5.4
384.19296	100.0
385.16260	5.1
385.20624	9.1
386.17203	3.2
400.18759	24.5
415.21262	83.8
415.25833	4.1
415.30222	5.8
416.21539	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
55.01856	2.5
55.05505	2.6
57.60593	1.3
65.03927	2.0
67.05486	3.7
69.07061	1.6
69.61983	3.6
69.62391	5.1
75.04470	2.6
79.05488	6.9
81.07059	3.6
83.04971	6.5
91.05477	10.6
93.07047	7.6
95.08626	8.3
98.23470	1.8
99.04446	4.1
105.03421	2.7
105.07023	5.0
107.04956	2.2
107.08588	5.4
109.06570	2.1
109.10138	2.7
111.04427	3.2
111.08051	1.8
119.04992	2.0
119.08578	4.3
121.06525	4.3
123.04436	1.7
123.08093	3.3
125.09615	9.9
127.03976	1.9
128.06215	2.8
129.06975	5.1
131.08609	4.7
133.02881	4.3
133.06427	3.3
135.04378	4.7
135.08058	2.8
136.05190	9.2
137.05969	4.9
137.62053	1.5
139.07553	2.0
141.07008	4.5
143.08542	5.3
145.10095	4.8
147.04462	2.5
148.05235	6.7
149.05969	3.7
150.06725	4.9
151.03920	5.3
151.07547	4.0
153.06989	1.9
154.07745	2.1
155.01045	2.2
155.08548	6.2
156.09390	2.3
157.06471	5.3
157.10112	4.1
158.07309	4.3
159.08038	2.4
159.11691	3.6
161.09573	2.5
164.08333	4.4
165.05504	21.8
166.06258	43.3
167.06633	2.6
169.08806	1.6
169.10132	6.3
171.08046	4.9
171.11700	2.7
173.09622	26.2
179.07056	4.3
179.08545	3.5
180.07823	22.7
181.08598	84.9
182.08914	3.3
183.08049	4.6
184.05261	2.0
185.06003	2.6
186.10312	2.0
187.11209	8.3
189.09123	7.7
193.10149	1.9
194.09285	2.4
195.06470	4.6
195.10162	100.0
196.10516	3.4
197.09619	28.8
199.11157	2.7
200.08337	2.4
201.05539	3.3
201.09100	28.2
201.12733	2.1
202.09760	3.6
203.10680	3.1
206.10826	1.9
207.11597	3.3
209.09853	2.5
209.11644	11.7
212.04709	2.9
213.05351	1.8
214.06236	2.7
215.07066	2.2
215.10616	1.8
216.11453	82.8
217.08591	14.2
217.11963	9.0
219.10017	2.4
221.13403	1.9
223.11200	5.7
226.06250	2.3
227.07039	4.9
229.04967	1.6
229.08589	1.9
231.11728	3.1
232.10867	22.0
233.13322	3.8
239.14143	2.0
240.04129	3.8
241.04965	8.2
242.05634	3.7
245.13348	2.2
247.13278	98.6
248.13577	3.9
249.11176	2.2
251.03441	1.5
255.06564	6.3
256.07394	11.4
257.04584	2.9
257.08032	5.9
259.11316	1.8
259.14755	3.5
261.22165	2.0
263.14282	2.0
265.08475	2.0
268.03772	2.0
272.06787	3.3
273.12820	2.1
275.14285	6.0
277.11191	1.9
278.09518	1.8
279.09912	1.7
283.06131	2.7
284.07068	2.0
285.07538	4.8
287.09122	37.4
287.69778	1.8
288.09387	2.8
291.10007	2.0
294.05243	1.7
295.09708	2.9
295.13141	2.2
297.07443	4.8
299.09143	2.5
300.06488	2.9
300.10028	2.0
301.15854	4.4
303.17410	2.5
307.09973	2.1
307.13318	4.0
309.11325	2.0
313.10696	6.6
315.08643	15.7
316.18250	3.4
316.21902	1.9
322.12085	2.6
322.15677	6.1
323.09091	4.1
323.12741	5.4
324.90958	1.7
325.10822	3.6
327.12323	2.0
328.13080	3.1
331.11646	2.1
338.15030	6.1
340.13007	1.9
341.10001	2.1
341.17618	2.0
342.10791	1.8
342.14709	3.4
345.13358	2.9
346.13953	3.7
351.16382	1.5
353.17456	6.6
354.14432	2.2
355.11783	8.2
359.14807	2.4
369.13135	2.2
369.16992	9.7
369.21454	2.8
371.14774	2.4
379.20496	2.9
384.19278	28.9
387.18011	4.9
397.12759	3.6
397.21579	5.8
400.18533	3.3
415.21521	22.6
415.26373	8.4
415.31079	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24625	1.3
51.37027	1.3
54.37346	1.3
55.00915	1.3
55.05886	1.2
61.05427	1.4
70.02118	3.9
79.05502	2.0
81.07055	1.7
93.07065	3.4
94.80360	1.4
98.22681	1.6
98.98515	2.0
99.08096	1.7
102.47836	1.5
103.95834	1.6
105.07051	2.0
119.08568	2.3
121.34589	1.3
130.57710	1.2
135.11705	1.8
149.13239	2.0
155.01099	4.2
181.06441	1.5
199.07672	1.5
211.07307	1.5
212.08321	2.0
213.09198	2.4
225.05559	1.8
225.09221	1.9
226.06279	1.7
227.07054	3.5
239.07053	2.2
240.07938	1.8
241.05070	2.9
241.08636	4.1
242.05951	1.7
242.09375	2.2
243.06752	1.6
251.10719	1.6
252.07996	2.0
253.08621	2.8
254.05870	2.2
254.09360	2.8
255.06587	4.9
255.10239	2.1
256.07431	1.7
257.08038	8.8
261.09088	1.6
261.22232	4.0
262.09860	1.8
263.10843	1.9
264.11694	1.6
265.12100	1.6
267.06543	3.8
267.10110	2.3
268.07407	2.7
268.10962	2.2
269.08151	5.6
270.08908	6.9
271.06241	1.6
271.09760	5.0
272.10516	4.2
273.07727	4.5
277.12079	1.9
278.09622	1.8
279.10318	4.4
279.13736	1.8
280.10944	2.4
281.08206	2.7
282.08942	4.0
283.05997	3.1
283.09668	3.0
284.07239	2.4
284.10516	7.3
285.07687	11.8
285.11267	4.4
286.08347	2.0
288.10040	5.0
291.10126	4.2
292.10947	4.6
293.11749	2.9
294.12701	2.7
295.09790	3.9
295.13348	5.9
296.10361	3.3
297.07736	7.7
297.10995	2.3
298.08472	5.9
298.11661	2.7
299.09323	6.1
299.12860	5.0
300.09760	9.2
301.07101	3.8
301.10764	4.8
302.07648	1.7
303.12219	2.1
305.11795	1.7
307.09860	2.9
307.13358	11.1
308.10596	2.9
308.14099	2.6
309.11264	4.0
309.14825	2.4
310.12033	3.3
311.09146	4.5
311.12756	4.9
312.10013	13.1
312.13388	2.8
313.07208	2.4
313.10764	16.4
313.14197	2.4
314.20071	1.4
315.08722	3.1
315.12341	15.0
316.09409	4.1
316.12860	2.6
317.10284	2.4
321.11234	2.3
321.15021	1.6
322.12042	5.4
322.15771	16.4
323.09412	2.6
323.12750	13.4
323.16132	2.3
324.13266	2.0
325.10898	3.1
325.14313	4.1
326.11456	3.3
327.08591	2.3
327.12192	11.8
328.09451	5.3
328.13120	17.2
329.10202	5.5
329.13721	4.4
330.10956	3.3
331.11761	17.6
332.12579	9.2
337.14459	5.5
338.15079	29.4
338.19043	2.1
339.12262	6.0
339.15927	4.1
340.12927	6.9
341.13855	5.4
341.17676	5.5
342.10931	3.1
342.14612	17.2
343.11624	16.8
343.15228	2.8
344.12515	4.9
345.13245	7.2
346.14114	29.9
347.14911	5.9
352.16824	3.5
353.13803	4.7
353.17621	19.1
354.14642	9.9
354.18219	3.1
355.15375	2.4
356.12271	2.1
358.14352	4.8
359.14783	16.0
360.15454	2.1
368.16281	2.2
369.16949	33.6
369.21368	2.1
370.17542	3.2
371.14954	6.0
372.15622	1.9
373.12628	2.1
373.16599	9.6
383.18631	4.7
384.19312	100.0
385.16309	6.5
385.20636	7.1
386.16959	2.1
387.17993	1.8
400.18777	21.5
401.19052	2.6
415.21289	64.7
416.21716	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2326
Annotation	Dictamnoside L
Peak:m/z	Relative Intensity
55.01878	2.4
55.05502	2.7
59.39175	2.1
67.05509	4.3
69.03433	5.5
69.07076	4.9
69.31189	5.6
69.31619	8.1
71.04982	4.7
79.05492	4.9
79.44051	1.9
81.07061	8.4
83.04996	5.9
85.02908	11.3
86.09705	2.3
91.05499	7.1
93.07053	5.9
95.08616	7.6
97.02930	4.9
97.06562	6.5
98.23318	4.1
103.17181	1.9
105.07027	12.8
107.08601	22.3
109.06555	8.0
109.10213	4.1
111.08108	8.5
117.07036	5.6
119.08596	16.1
121.06534	3.1
121.10134	13.9
123.08056	4.2
123.11759	4.8
125.09621	14.5
127.03938	2.9
128.06248	2.3
131.08614	8.3
133.10121	28.5
135.08076	3.2
135.11691	5.0
143.08533	4.0
145.05014	3.0
145.10095	5.3
147.08076	9.6
147.11795	4.4
149.09669	5.4
157.10136	11.7
159.11659	13.0
161.09615	27.8
163.11220	6.9
166.84055	2.0
173.09535	2.1
173.98633	2.1
175.11208	8.0
175.14882	8.8
177.12729	14.3
189.16440	7.3
199.14874	5.3
217.15897	58.9
218.16270	3.5
235.16945	100.0
236.17317	5.3
253.14275	6.5
253.18153	7.4
264.02411	1.9
415.23175	92.1
416.23331	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31201	0.4
53.03950	1.0
55.05280	0.5
55.05510	2.9
65.03947	0.6
67.05499	3.4
69.07060	2.4
70.04226	0.4
71.05003	0.5
71.30573	0.6
79.05487	2.6
81.07052	2.7
83.04990	6.6
91.05452	3.5
93.07034	4.6
95.04977	0.7
95.08611	8.7
98.22835	0.6
103.05424	0.7
105.03403	1.9
105.07042	5.2
107.08592	3.3
109.06540	0.9
109.10165	1.0
111.04429	3.0
111.08105	0.9
115.05491	1.2
117.07018	1.8
119.08583	4.4
119.35646	0.4
121.06508	0.6
121.10149	1.6
128.06244	2.2
129.07011	3.1
130.07722	0.5
130.95866	0.4
131.08543	2.9
133.10127	4.0
135.08011	0.5
135.11650	0.5
141.06960	2.3
141.09099	0.4
142.07809	2.0
143.08563	6.1
144.09341	0.5
145.10150	3.2
147.08061	0.9
147.11711	0.8
153.07010	1.2
154.07802	0.9
155.08560	11.4
156.09341	7.1
157.10121	3.3
159.08073	0.5
159.10538	0.4
159.11690	2.3
161.09607	0.9
161.13300	0.5
165.07019	1.3
166.07790	1.0
167.08543	2.7
168.09340	0.7
169.10138	8.2
170.10699	0.8
171.11685	15.0
172.12051	1.0
173.09647	1.7
173.13359	0.5
175.11212	0.6
178.07828	0.9
179.08549	3.2
180.09308	1.6
181.10109	4.2
182.10916	1.3
183.11650	2.6
184.12207	0.5
185.09520	0.4
185.13289	0.9
187.11200	0.8
191.08553	1.2
192.09331	1.7
193.10132	5.1
194.10918	2.1
195.11685	3.1
196.12405	1.8
197.13284	2.4
199.14735	0.7
203.08575	1.1
204.09370	1.1
205.10167	3.6
206.10880	3.8
207.11725	5.1
208.12456	3.2
209.13258	3.8
210.13925	0.9
211.14819	6.0
212.15503	0.6
215.08565	1.2
216.09399	0.6
217.10132	2.6
218.10837	2.0
219.11700	5.5
220.12448	2.6
221.13271	6.8
222.13919	1.5
223.14844	5.2
224.15399	0.6
229.10112	0.8
230.10869	1.6
231.11682	3.8
232.12453	2.9
233.13260	3.8
234.13991	1.2
235.14748	2.2
236.15492	0.5
237.16347	0.6
239.14203	0.5
243.11807	1.3
244.12456	1.9
245.13254	6.8
246.13957	2.9
247.14877	4.2
248.15128	0.8
249.16429	1.4
257.13239	1.4
258.14139	1.7
259.14825	4.2
260.15601	2.5
261.16370	5.7
262.16852	0.8
271.14850	1.9
272.15668	1.2
273.16345	2.9
274.17163	1.8
275.17923	5.4
276.18652	3.2
277.19476	0.8
285.16452	1.3
286.17166	1.3
287.17911	3.0
288.18698	1.0
289.19482	2.2
295.17075	0.5
300.18661	0.5
301.19492	9.7
301.22839	0.7
302.19897	1.0
303.21069	1.4
304.21799	1.0
305.22824	0.7
315.21078	1.4
316.21942	5.1
317.22559	0.7
321.18579	0.6
359.19937	0.6
359.26199	0.4
397.25400	2.7
415.26312	100.0
416.26648	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31201	0.4
53.03950	1.0
55.05280	0.5
55.05510	2.9
65.03947	0.6
67.05499	3.4
69.07060	2.4
70.04226	0.4
71.05003	0.5
71.30573	0.6
79.05487	2.6
81.07052	2.7
83.04990	6.6
91.05452	3.5
93.07034	4.6
95.04977	0.7
95.08611	8.7
98.22835	0.6
103.05424	0.7
105.03403	1.9
105.07042	5.2
107.08592	3.3
109.06540	0.9
109.10165	1.0
111.04429	3.0
111.08105	0.9
115.05491	1.2
117.07018	1.8
119.08583	4.4
119.35646	0.4
121.06508	0.6
121.10149	1.6
128.06244	2.2
129.07011	3.1
130.07722	0.5
130.95866	0.4
131.08543	2.9
133.10127	4.0
135.08011	0.5
135.11650	0.5
141.06960	2.3
141.09099	0.4
142.07809	2.0
143.08563	6.1
144.09341	0.5
145.10150	3.2
147.08061	0.9
147.11711	0.8
153.07010	1.2
154.07802	0.9
155.08560	11.4
156.09341	7.1
157.10121	3.3
159.08073	0.5
159.10538	0.4
159.11690	2.3
161.09607	0.9
161.13300	0.5
165.07019	1.3
166.07790	1.0
167.08543	2.7
168.09340	0.7
169.10138	8.2
170.10699	0.8
171.11685	15.0
172.12051	1.0
173.09647	1.7
173.13359	0.5
175.11212	0.6
178.07828	0.9
179.08549	3.2
180.09308	1.6
181.10109	4.2
182.10916	1.3
183.11650	2.6
184.12207	0.5
185.09520	0.4
185.13289	0.9
187.11200	0.8
191.08553	1.2
192.09331	1.7
193.10132	5.1
194.10918	2.1
195.11685	3.1
196.12405	1.8
197.13284	2.4
199.14735	0.7
203.08575	1.1
204.09370	1.1
205.10167	3.6
206.10880	3.8
207.11725	5.1
208.12456	3.2
209.13258	3.8
210.13925	0.9
211.14819	6.0
212.15503	0.6
215.08565	1.2
216.09399	0.6
217.10132	2.6
218.10837	2.0
219.11700	5.5
220.12448	2.6
221.13271	6.8
222.13919	1.5
223.14844	5.2
224.15399	0.6
229.10112	0.8
230.10869	1.6
231.11682	3.8
232.12453	2.9
233.13260	3.8
234.13991	1.2
235.14748	2.2
236.15492	0.5
237.16347	0.6
239.14203	0.5
243.11807	1.3
244.12456	1.9
245.13254	6.8
246.13957	2.9
247.14877	4.2
248.15128	0.8
249.16429	1.4
257.13239	1.4
258.14139	1.7
259.14825	4.2
260.15601	2.5
261.16370	5.7
262.16852	0.8
271.14850	1.9
272.15668	1.2
273.16345	2.9
274.17163	1.8
275.17923	5.4
276.18652	3.2
277.19476	0.8
285.16452	1.3
286.17166	1.3
287.17911	3.0
288.18698	1.0
289.19482	2.2
295.17075	0.5
300.18661	0.5
301.19492	9.7
301.22839	0.7
302.19897	1.0
303.21069	1.4
304.21799	1.0
305.22824	0.7
315.21078	1.4
316.21942	5.1
317.22559	0.7
321.18579	0.6
359.19937	0.6
359.26199	0.4
397.25400	2.7
415.26312	100.0
416.26648	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30688	0.3
52.18460	0.3
53.11581	0.4
55.05511	2.3
65.03927	0.4
67.05508	4.0
69.07069	2.2
69.11497	3.4
75.04464	0.3
79.05486	2.6
81.07060	3.5
83.04984	5.8
83.08620	0.5
91.05475	3.6
93.07040	4.5
95.04973	1.0
95.08611	7.5
95.09202	0.3
96.08971	0.3
97.06516	0.5
98.98470	0.6
99.04442	1.4
99.08089	0.6
105.04520	0.4
105.07041	4.2
107.08593	3.5
109.06524	0.4
109.10123	1.8
111.04427	1.7
111.08093	1.1
115.05457	0.4
117.07028	0.9
119.08578	4.8
121.06606	0.5
121.10160	1.8
123.08086	1.0
123.11698	0.5
128.06232	2.3
129.07021	3.5
130.07785	0.7
131.08546	2.3
133.10138	3.3
135.11717	0.8
137.05818	0.4
141.06981	2.3
142.07780	2.7
143.08574	4.2
145.06482	0.4
145.10138	2.4
147.07970	0.5
147.11661	1.2
149.13200	0.5
153.06976	0.6
154.07817	1.0
155.01053	0.6
155.08545	10.0
156.09358	6.3
157.10106	2.6
159.07997	0.4
159.11673	1.5
161.09657	0.7
163.11238	0.5
165.07034	1.4
166.07750	0.9
167.08534	2.9
168.09308	0.6
169.10139	11.2
170.10706	0.7
171.11693	11.5
173.13278	0.5
175.11227	0.6
178.07802	0.4
179.08502	2.8
180.09338	1.2
181.10136	2.5
182.10808	0.6
183.11676	2.2
185.13248	1.3
191.08554	0.8
192.09352	1.8
193.10175	3.7
194.10887	1.9
195.11731	2.3
196.12459	0.8
197.13274	2.1
201.08778	0.4
202.07846	0.6
203.08562	1.3
204.09366	1.4
205.10156	3.0
206.10913	3.6
207.11681	5.7
208.12459	2.7
209.13245	3.5
210.13982	0.8
211.14821	5.1
213.05421	0.6
215.08698	0.6
216.09396	0.5
217.10162	2.3
218.10860	2.0
219.11682	6.6
220.12428	2.7
221.13260	6.8
222.13861	1.3
223.14813	3.4
225.12735	0.4
226.06200	0.4
229.05141	0.6
229.10176	1.3
230.10939	1.4
231.11726	3.9
232.12482	3.1
233.13260	5.2
234.13889	1.2
235.14821	2.6
237.16284	0.5
240.04311	0.7
241.04964	1.2
242.05937	0.7
243.11729	0.9
243.21042	0.5
244.12541	1.4
245.13243	6.0
246.13972	2.8
247.14790	4.4
248.15419	0.7
249.16350	1.5
253.08597	0.6
255.06573	1.2
256.07306	1.5
257.04358	0.7
257.07993	0.8
257.13199	1.1
258.14047	1.5
259.14819	3.8
260.15515	3.3
261.16370	6.1
261.22134	0.8
262.16995	0.5
263.18127	0.5
269.13293	0.4
271.14819	1.5
272.15561	1.0
273.16309	2.6
274.17075	1.7
275.17941	7.1
276.18680	3.0
277.19510	1.6
281.08087	1.0
283.05945	0.7
285.16266	1.0
286.17075	1.5
287.09131	5.9
287.17755	2.2
288.09476	0.4
288.18820	0.9
289.19455	1.9
297.07544	0.9
299.17883	0.8
301.19489	6.2
302.20029	0.7
303.17664	0.5
303.21121	1.8
304.21783	0.8
305.22665	0.6
313.10529	0.5
315.08667	1.8
315.21085	0.8
316.21863	4.1
317.22415	0.9
323.09116	0.8
341.18817	0.5
343.11707	1.0
355.11731	1.1
400.23767	0.5
415.26312	100.0
416.26682	12.7
426.26575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59155	0.3
53.03954	0.4
53.97586	0.3
55.05511	1.3
67.05504	1.6
69.03571	2.7
69.07054	0.7
70.14870	0.3
79.05487	0.9
81.07063	1.0
82.99694	0.3
83.04984	4.0
84.77506	0.3
85.06557	0.3
91.05470	1.8
93.07055	2.0
95.04973	0.6
95.08607	3.4
99.04431	0.4
105.07020	1.7
107.08626	1.7
109.06509	0.4
109.10149	0.8
111.04451	2.1
111.08054	0.8
115.05424	0.3
115.71759	0.3
117.07013	0.7
119.08579	3.1
121.06480	0.4
121.10140	0.7
128.06227	0.5
129.07076	1.5
131.08580	1.4
133.10132	2.0
135.11743	0.4
141.06987	0.8
142.07767	0.7
143.08592	2.3
144.09346	0.6
145.10149	0.8
147.11743	0.5
153.07030	0.8
154.07794	0.5
155.08557	21.6
156.09361	2.6
157.10126	1.7
159.08029	0.3
159.11717	1.3
161.09618	0.5
165.06989	0.8
166.07722	0.4
167.08530	0.5
168.09314	0.5
169.10129	3.4
170.10899	0.4
171.11699	4.0
173.13295	0.4
178.07832	0.5
179.08600	1.1
181.10089	1.6
182.10930	0.6
183.11728	1.0
185.13266	0.4
192.09380	0.7
193.10110	1.7
194.10918	0.8
195.11696	1.4
196.12444	0.7
197.13278	0.6
199.14835	0.4
202.62953	0.3
203.08522	0.7
204.09384	0.6
205.10086	2.0
206.10970	1.6
207.11649	1.6
208.12402	2.6
209.13228	2.4
210.13969	0.6
211.14815	10.4
212.15092	0.4
216.09276	0.3
217.10135	0.9
218.10928	1.4
219.11667	3.3
220.12469	1.4
221.13269	2.7
222.14046	0.9
223.14804	4.6
225.16281	0.4
229.10187	0.3
230.10933	1.0
231.11694	1.9
232.12401	1.6
233.13246	2.4
234.14072	0.6
235.14772	1.0
237.16371	0.4
243.06554	0.4
243.11693	0.8
244.12399	0.6
245.13242	4.7
246.13992	1.3
247.14789	2.5
248.15454	0.8
249.16365	0.7
257.13315	0.9
258.14120	0.9
259.14844	2.6
260.15640	2.1
261.16409	3.0
267.10165	0.5
269.08090	0.5
271.14813	0.8
272.15668	0.9
273.16397	1.3
274.17142	1.1
275.17911	3.1
276.18701	1.5
277.19568	0.5
286.17120	0.7
287.17874	1.8
288.18488	0.5
289.19583	1.8
295.09641	0.6
297.07605	0.5
299.09268	0.9
300.06226	0.4
300.18854	0.4
301.19470	6.0
302.19757	0.6
303.20950	0.5
312.09622	0.5
313.10779	0.5
316.21725	2.6
317.22369	0.4
325.10767	1.0
326.11429	0.6
327.08618	0.4
330.10654	0.4
340.13019	1.6
341.10126	0.8
341.13840	1.1
342.10846	0.8
343.11761	0.4
356.12555	0.9
359.20111	0.6
367.15115	0.4
371.14893	1.7
373.12805	1.0
384.15402	0.5
415.26309	100.0
416.26663	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.2
54.61406	0.2
55.05504	0.7
57.03452	0.3
59.57071	0.2
64.74607	0.2
67.05510	1.2
69.07060	0.4
69.49716	0.8
69.50127	0.6
79.05490	0.6
81.07047	0.9
83.04984	2.6
91.05479	1.3
93.07059	1.5
93.07542	0.3
95.04951	0.5
95.08598	1.9
97.06491	0.3
98.22678	0.4
105.07014	1.5
107.08611	1.2
109.06513	0.3
109.10118	0.4
111.04456	1.4
111.08069	0.5
117.07039	0.4
119.08552	1.8
121.06505	0.3
121.10155	0.6
121.88387	0.2
129.07025	0.8
131.08557	1.2
133.10133	1.8
141.07005	0.5
142.07794	0.7
143.08536	1.1
144.09352	0.3
145.10146	0.7
147.07979	0.3
147.11702	0.4
153.07018	0.5
154.07753	0.4
155.08553	25.3
156.09163	1.4
157.10135	1.2
159.11691	1.0
161.09615	0.5
165.07083	0.4
166.07755	0.4
167.08553	0.9
168.09355	0.3
169.10126	2.6
171.11696	1.3
175.38704	0.2
178.07655	0.2
179.08566	1.1
180.09377	0.5
181.10124	1.4
183.11749	0.5
184.12167	0.3
185.13298	0.2
191.08575	0.5
192.09319	0.8
193.10117	2.3
194.10878	1.0
195.11740	1.5
196.12492	1.1
197.13249	1.0
203.08601	0.5
204.09322	0.8
205.10097	2.3
206.10953	1.4
207.11751	1.9
208.12474	3.5
209.13231	2.4
210.13992	0.9
211.14809	12.0
212.15259	0.6
215.08574	0.5
216.09256	0.5
217.10101	1.1
218.10927	0.9
219.11690	4.8
220.12482	1.5
221.13254	2.4
222.13994	0.4
223.14819	6.4
224.15242	0.5
229.10109	0.7
230.10893	0.9
231.11703	1.6
232.12418	1.7
233.13306	2.1
234.13980	0.3
235.14772	0.7
237.16422	0.3
243.11699	0.9
244.12498	0.9
245.13245	5.9
246.13911	1.6
247.14857	2.9
248.15431	0.8
249.16316	0.7
256.12549	0.3
257.13235	0.9
258.13947	0.4
259.14780	2.9
260.15555	2.2
261.16415	3.4
262.17029	0.5
269.13275	0.3
271.14847	0.8
272.15439	0.5
273.16348	1.4
274.17154	1.2
275.18018	2.4
276.18686	1.0
286.17117	0.9
287.17941	1.3
288.18658	0.6
289.19528	1.6
290.19873	0.3
299.17996	0.6
301.19476	4.8
302.19989	0.7
303.21097	0.6
304.21786	0.5
305.22620	0.4
315.21057	0.6
316.21960	1.7
359.20135	0.7
372.13849	0.4
385.14542	0.2
385.21698	0.3
386.15137	0.4
387.16025	0.3
399.16263	0.4
400.17084	0.4
400.23990	0.5
414.14664	0.3
415.14371	3.1
415.26291	100.0
416.15784	2.0
416.26645	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
67.05508	1.2
69.07064	0.7
69.21693	4.8
69.54734	0.7
73.01059	0.6
79.05497	1.0
81.07051	1.8
83.04978	3.9
83.08608	0.8
91.05482	1.8
93.07047	2.6
95.08593	3.6
98.33260	0.6
103.93716	0.6
105.07034	1.7
107.08580	1.8
109.10196	0.7
111.04445	1.9
117.06995	0.6
119.08555	4.3
129.06999	1.0
131.08580	1.5
133.10147	2.3
143.08498	1.4
145.10115	1.4
155.08549	24.2
156.08989	1.5
157.10092	1.4
159.11746	1.4
169.10149	2.7
171.11691	1.3
179.08621	0.9
181.10143	1.9
182.10858	0.9
192.09364	0.9
193.10168	1.9
194.10870	0.7
195.11713	1.0
197.13130	0.6
205.10144	2.5
206.10924	1.9
207.11774	1.7
208.12541	3.8
209.13266	2.2
210.13852	0.8
211.14796	12.2
217.10091	1.3
218.10828	0.7
219.11697	3.5
220.12523	2.0
221.13199	2.0
223.14836	5.3
231.11632	1.7
232.12471	1.1
233.13243	2.2
243.11801	0.7
244.12427	0.9
245.13179	4.7
246.14027	1.3
247.14745	2.1
249.16460	1.5
257.13324	0.7
259.14856	2.6
260.15646	2.1
261.16440	3.5
273.16095	0.7
274.16882	0.8
275.17990	1.5
276.18289	0.7
276.56049	0.6
286.17111	1.3
287.17697	0.8
289.19519	1.4
301.19485	5.6
302.20044	0.9
312.09937	0.8
316.21790	2.0
340.13168	1.1
342.11169	0.6
359.19711	0.7
371.14896	0.8
415.26279	100.0
416.26556	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14818	0.2
55.05516	3.0
56.04835	0.2
57.11012	0.3
62.18783	0.2
65.03913	0.2
67.05502	0.8
69.26572	1.9
79.05479	0.7
79.44642	0.2
81.07046	0.8
83.04982	5.9
84.05293	0.3
91.05482	1.3
93.07059	1.3
95.04989	0.5
95.08613	1.8
98.23348	0.4
105.07024	1.5
107.08595	1.1
111.04437	1.8
111.08098	0.6
115.05456	0.3
117.06963	0.4
119.08592	1.1
121.10137	0.5
123.08112	0.3
125.06015	0.5
127.48241	0.3
128.06174	0.4
129.06999	1.1
131.08563	1.0
133.10159	1.2
141.07008	0.9
142.07861	0.5
143.08560	1.1
144.09315	0.3
145.06450	0.3
145.10150	0.8
147.11697	0.5
147.93532	0.3
153.07065	0.5
155.08553	24.5
156.08998	1.5
157.10115	1.3
159.11699	1.1
161.09566	0.3
165.07014	0.3
167.08627	0.6
169.10104	2.0
171.04459	0.4
171.11700	1.8
178.07762	0.3
179.08539	0.8
180.09280	0.3
181.10175	1.0
182.10938	0.4
183.04414	0.4
183.11684	0.8
191.08597	0.3
192.09361	0.7
193.10132	2.0
194.10905	0.8
195.11664	1.4
196.12422	1.0
197.13242	0.7
199.03874	0.8
203.08601	0.4
203.91585	0.2
204.09372	0.7
205.10127	2.0
206.10834	1.3
207.11690	1.6
208.12448	3.8
209.13225	2.7
210.14018	1.0
211.03964	0.6
211.14818	10.4
212.04553	0.5
212.15204	0.9
213.05536	0.4
214.02562	0.3
217.10115	0.7
218.10939	1.2
219.11682	4.1
220.12437	1.8
221.13243	2.4
222.14102	0.6
223.14845	5.3
224.15332	0.4
226.06348	0.3
227.03448	1.2
229.04781	0.3
229.10153	0.4
230.10941	1.0
231.11673	2.3
232.12451	1.3
233.13226	2.0
234.13968	0.5
235.14853	1.0
237.16373	0.6
239.03372	4.9
240.04079	2.4
241.04832	0.7
242.02182	0.5
243.02914	1.0
243.11652	0.9
244.03751	0.6
244.12518	0.7
245.13266	5.3
246.13919	1.7
247.14798	2.6
248.15422	0.4
249.16348	0.5
254.05730	0.5
255.02896	0.3
255.05994	0.3
257.04395	1.4
257.13281	0.6
258.05130	0.6
258.14047	0.6
259.06000	0.3
259.14783	3.1
260.15573	2.3
261.16333	3.1
263.17978	0.3
267.02908	2.9
268.03586	0.5
269.04367	0.5
271.14871	1.1
272.03116	0.7
272.15744	0.6
273.16440	1.1
274.17160	1.0
275.17996	2.0
276.18668	0.8
282.05331	0.3
284.02985	0.3
285.03937	10.2
285.07162	0.5
285.16385	0.6
286.04559	3.4
286.17142	1.0
287.05460	2.6
287.18002	1.4
288.18750	0.8
289.19525	1.4
299.17886	0.4
300.06204	0.7
301.03665	0.3
301.06995	5.5
301.19501	5.5
302.04208	1.9
302.07227	0.6
302.20071	0.8
303.20966	0.5
313.19434	0.4
315.08633	2.6
315.21115	0.7
316.05667	1.0
316.09103	0.6
316.21756	1.8
317.06503	9.7
318.06903	0.8
331.07877	0.4
332.08417	1.0
341.22760	0.3
359.20364	0.4
359.87839	0.3
385.21527	0.3
400.11545	14.8
400.23703	0.4
401.11713	1.6
415.26309	100.0
416.26636	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.2
55.95213	0.4
67.05495	1.6
69.07066	1.1
69.22588	2.8
77.84525	0.4
79.05490	0.8
81.06361	0.3
81.07046	1.6
83.04980	3.5
83.08612	0.4
91.05475	1.7
93.07050	1.7
95.04991	0.5
95.08591	2.2
105.07059	2.2
107.04951	0.6
107.08587	1.7
109.06492	0.4
109.10171	0.7
111.04440	1.2
111.08089	0.7
117.07016	0.9
119.08588	3.7
121.10136	0.8
128.06223	0.7
129.07022	1.1
131.08557	1.7
133.10121	1.7
141.07002	0.6
143.08530	1.0
144.09351	0.4
145.10100	0.7
147.08083	0.5
152.63451	0.4
153.07036	1.0
155.08556	23.9
156.09125	1.2
157.10156	1.4
159.11688	1.2
161.09653	0.5
167.08583	0.5
168.09335	0.4
169.10146	1.9
171.11678	1.3
178.07848	0.4
179.08630	0.8
180.09377	0.4
181.10143	1.4
182.10883	0.5
183.11710	1.3
187.11290	0.5
191.08467	0.5
192.09351	0.4
193.10112	1.9
194.10947	0.8
194.16875	0.4
195.11655	1.3
196.12468	0.8
197.13174	0.5
204.09344	0.6
205.10184	2.0
206.10785	0.8
207.11702	1.4
208.12453	3.3
209.13240	1.5
210.13976	0.7
211.14827	10.4
212.15190	1.0
217.10158	1.1
218.10954	0.7
219.11693	3.1
220.12460	1.1
221.13263	2.6
222.13962	0.4
223.14795	5.0
224.15199	0.7
230.10966	0.8
231.11699	2.4
232.12480	1.1
233.13211	1.9
234.14072	0.8
235.14787	0.7
243.11687	0.5
244.12543	0.5
245.13281	5.1
246.14027	1.2
247.14838	2.5
257.13190	0.8
259.14816	2.1
260.15567	1.9
261.16339	2.3
262.17029	0.6
271.14832	0.8
272.15613	0.7
273.16357	1.2
274.17157	0.4
274.92392	0.4
275.18066	1.9
276.18738	0.6
284.06717	0.4
285.16385	0.5
286.17160	1.1
287.18021	1.4
288.18781	0.7
289.19489	1.1
290.19885	0.5
295.09515	0.7
299.09024	0.5
301.19467	4.9
305.22440	0.6
310.12326	0.7
313.10901	0.5
315.21182	0.4
316.21890	1.1
325.10510	0.5
340.13074	1.2
341.09961	0.5
341.13834	0.6
342.10904	0.7
343.11832	0.4
356.12436	0.7
359.20123	0.6
366.14529	0.5
371.14981	1.6
373.12686	0.8
400.23718	0.8
415.26306	100.0
416.26630	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
67.05496	1.0
69.07057	1.0
69.12686	4.4
72.93079	0.4
77.86038	0.4
79.05476	1.0
81.07076	1.1
83.04993	2.7
87.76334	0.4
91.05487	2.0
93.07040	1.8
95.04950	0.4
95.08599	2.0
102.59775	0.4
105.07014	1.4
107.08598	1.5
109.10126	0.8
111.04445	1.6
111.08091	0.9
117.07026	0.5
119.08590	3.5
120.91344	0.4
121.10149	0.5
128.06248	0.6
129.07085	1.2
131.08556	1.5
133.10129	1.8
141.06992	0.8
142.07678	0.5
143.08556	0.8
155.08556	25.3
156.09145	1.5
157.10086	1.7
159.11728	1.2
161.09593	0.7
164.34683	0.4
168.09326	0.5
169.10147	3.3
171.11705	1.3
171.15398	0.4
171.74629	0.4
179.08534	1.4
180.09332	0.7
181.10179	0.9
186.87816	0.5
191.08514	0.8
193.10173	2.5
194.10959	0.8
195.11723	1.3
196.12431	1.0
197.13203	0.8
204.09267	0.5
205.10124	2.5
206.10855	1.6
207.11659	1.7
208.12477	3.8
209.13232	2.4
210.14053	0.5
211.14810	10.0
212.15228	1.1
217.10193	1.1
218.10800	0.9
219.11691	4.6
220.12491	1.8
221.13223	3.0
223.14795	5.8
229.10092	0.6
230.10895	1.3
231.11745	2.4
232.12389	1.1
233.13199	2.3
234.13809	0.6
235.14873	0.5
243.11844	0.9
244.12479	1.0
245.13254	5.4
246.13927	2.2
247.14825	2.7
248.15517	0.5
249.16350	0.7
257.13257	0.9
258.14114	0.6
259.14795	2.9
260.15625	2.1
261.16492	3.0
262.16916	0.6
271.14801	0.8
273.16415	1.3
274.17096	0.6
275.17911	2.1
276.18674	0.7
286.17114	1.1
287.17886	1.0
288.18610	0.6
289.19577	1.6
301.19525	5.7
302.19907	0.6
315.21118	0.7
316.21896	1.6
321.18658	0.7
342.10736	0.5
359.20227	0.7
415.26300	100.0
416.26624	13.9
416.31064	0.4
438.29529	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01868	1.3
55.05507	8.0
57.03438	1.4
60.99658	0.7
66.81587	0.7
67.05502	12.5
69.03424	1.9
69.07053	2.2
71.29297	1.5
79.05483	4.9
81.07046	8.1
83.04981	14.9
83.08604	1.1
88.42448	0.7
91.05485	9.8
93.07040	23.2
95.04958	3.8
95.08604	29.8
97.06504	1.7
105.07027	13.4
107.08591	8.6
109.06499	2.0
109.10153	5.9
111.04441	7.9
111.08075	13.1
111.95756	0.7
113.05978	1.7
115.05489	1.4
117.06987	4.3
119.08566	9.7
121.06516	3.1
121.10140	9.2
123.08049	5.1
123.11674	1.9
125.05988	0.9
125.09637	0.9
126.42245	0.8
128.06250	2.8
129.07007	8.7
131.08583	7.5
133.10110	6.8
135.08054	2.1
135.11772	1.4
137.05975	1.0
137.09622	0.9
139.07553	8.3
139.11166	2.3
141.06969	2.7
141.09100	2.5
142.07747	2.3
143.08566	5.1
144.09343	2.3
145.10136	4.8
146.07280	0.8
147.07982	2.6
147.11674	4.0
149.09573	1.0
151.07527	0.9
153.06972	2.1
153.09126	0.9
154.07788	2.6
155.08562	8.8
156.09331	3.0
157.10120	4.7
159.08044	1.7
159.11678	7.0
160.08878	0.9
160.11958	0.9
161.09630	1.3
161.13261	2.7
165.07036	3.3
166.07788	2.5
167.08545	4.1
167.10655	1.6
168.09335	2.8
169.10127	10.2
170.10738	1.2
171.11676	7.5
173.13277	1.5
175.11105	1.5
177.12721	1.0
178.07785	2.3
179.08551	6.7
180.09306	2.9
181.10126	13.3
182.10712	2.5
183.11690	4.9
185.09616	1.2
185.13297	2.0
187.11174	2.4
189.07014	1.4
189.12732	3.2
190.07817	2.3
191.08553	10.9
192.09280	4.1
193.10094	7.8
194.10863	1.4
195.11707	6.0
197.13243	4.9
202.07718	1.5
203.08510	4.8
203.14493	0.8
204.09363	6.3
205.10135	14.5
205.12257	4.1
206.10880	13.9
207.11691	14.5
208.12398	5.0
209.13208	7.8
211.11287	1.0
211.14783	4.1
215.08609	2.2
216.09308	3.8
217.10112	14.3
218.10880	19.0
219.11681	23.4
220.12367	4.5
221.13255	72.7
222.13643	5.6
223.14806	49.6
224.15201	3.2
225.12762	3.6
227.14372	1.0
228.09235	1.0
229.10158	3.6
230.10884	5.4
231.09956	0.5
231.11679	23.8
232.12451	27.2
233.13237	29.1
234.13832	3.5
235.11066	1.0
235.14793	11.9
237.12669	1.2
237.16420	3.1
242.10962	2.0
243.11598	8.9
243.13855	1.2
244.12442	11.5
245.13261	23.3
246.13940	11.9
247.14807	55.1
248.15233	6.2
249.16460	7.0
254.11102	1.1
255.11717	2.6
256.12448	2.2
257.13272	10.9
258.14056	13.0
259.14801	28.9
260.15552	14.7
261.16382	38.7
262.16913	5.9
263.15234	0.8
263.17935	5.4
269.13245	2.8
270.14172	2.1
271.14780	11.1
272.15503	6.0
273.16364	28.9
274.17133	21.3
275.17914	47.4
276.18591	12.2
277.16309	1.4
277.19498	9.7
278.20078	1.0
283.14835	2.4
284.15640	1.9
285.16373	6.4
286.13965	1.1
286.16956	3.9
287.17911	16.3
288.18539	6.6
289.16248	1.5
289.19473	14.6
290.20160	1.6
295.14706	1.1
297.04092	0.9
297.13004	1.5
297.16486	3.0
298.17099	1.8
299.17804	6.6
300.06158	0.9
300.18164	0.8
301.19501	36.0
302.20016	5.9
303.17728	1.5
303.21027	15.8
304.21457	1.3
305.22675	1.1
311.14371	1.1
311.17795	1.6
313.15967	1.6
313.19342	2.8
315.08624	1.5
315.21091	11.4
316.21817	35.1
317.22488	8.9
319.20712	1.1
323.09097	1.2
325.19461	1.6
326.20032	1.2
327.17551	1.2
327.21069	3.1
331.16959	1.8
337.19168	1.2
339.17731	1.0
341.18790	1.3
341.22546	2.8
342.23282	1.3
343.16913	1.2
345.18423	2.5
354.19650	0.9
355.20490	3.9
357.18359	2.3
359.19946	2.3
369.25983	5.4
371.19809	1.4
372.20676	3.6
373.21609	8.6
379.24002	1.6
386.22647	4.2
397.12994	1.4
397.21567	1.2
397.25400	9.9
398.25632	1.2
400.24066	1.5
415.26303	100.0
416.26782	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.05509	1.0
56.55863	0.3
62.65769	0.3
67.05505	1.3
69.03437	0.6
69.04759	0.4
69.05157	2.8
69.07055	0.4
71.04996	0.6
75.04460	0.7
77.13569	0.3
79.05496	1.6
81.07057	1.7
83.04979	3.9
91.05485	1.9
93.07047	2.5
95.04971	0.5
95.08598	2.3
97.02906	1.4
99.04446	2.1
105.07018	1.9
107.08610	1.2
109.06538	0.5
109.10214	0.5
111.04439	2.1
111.08105	1.1
115.05508	0.6
117.07038	0.9
119.04960	0.3
119.08582	1.9
121.06502	0.4
121.10151	0.9
123.08096	0.5
125.05908	0.4
127.03953	0.8
128.06265	0.8
129.07016	2.0
130.07840	0.3
131.08577	1.4
132.05702	0.4
133.06474	0.3
133.10126	2.2
134.03525	0.4
137.27464	0.3
141.07016	1.3
142.07808	1.0
143.08557	2.0
144.09409	0.5
145.06631	0.3
145.10150	1.3
147.08087	0.4
147.11729	0.4
149.06007	0.7
152.04759	0.6
153.06996	1.6
154.07819	1.4
155.08546	27.1
156.09088	1.7
157.10168	1.4
159.08105	0.3
159.11723	1.5
161.09686	0.8
165.07025	1.8
166.07787	0.8
167.07190	0.7
167.08624	1.0
169.06586	0.4
169.10126	2.8
170.10797	0.4
171.08023	0.3
171.11665	2.5
172.08763	0.4
173.06059	0.4
173.13248	0.4
175.03922	0.4
178.07841	1.2
179.07065	0.8
179.08598	1.9
180.04211	0.7
180.09364	1.5
181.10124	1.6
182.10883	0.6
183.04478	0.5
183.11736	1.0
184.05179	0.6
185.06056	0.7
185.09612	0.4
185.13266	0.5
191.08679	0.8
192.09349	1.8
193.10112	3.9
194.10934	1.4
195.06519	3.8
195.07893	0.3
195.11687	3.0
195.13071	0.3
195.97334	0.3
196.12497	1.0
197.06001	0.9
197.13373	0.9
199.03891	0.5
199.07582	0.4
200.08423	0.5
201.05513	1.5
203.08609	1.1
204.09412	0.9
205.10121	3.4
206.10851	1.6
207.08406	0.4
207.10118	0.7
207.11728	3.6
208.12430	3.3
209.09645	0.5
209.13248	2.3
210.14015	0.8
211.14807	10.8
212.04778	1.3
212.15077	0.4
213.05452	1.7
214.06267	0.8
215.06870	0.6
215.08696	0.9
216.07616	0.4
216.09500	1.1
217.10168	1.7
218.10820	1.7
219.11702	6.1
219.13678	0.5
220.12422	2.0
221.06062	0.4
221.13202	2.4
222.13934	0.4
222.30530	0.3
223.14812	6.5
224.15486	0.5
225.05553	1.4
226.06255	0.7
227.03477	0.5
227.07111	1.3
229.05016	1.4
229.08372	0.4
229.10220	1.1
230.10915	1.9
231.09959	0.4
231.11818	2.8
232.12410	1.5
233.13248	3.0
234.14053	0.5
235.14905	1.2
236.15591	0.4
237.05548	0.4
239.03471	0.9
239.07057	0.4
240.04129	2.1
241.04924	3.4
242.05814	1.0
242.10992	0.4
243.06618	0.4
243.11638	1.9
244.07425	0.5
244.12413	1.9
245.13258	7.4
246.13918	1.9
247.14806	3.3
248.15541	0.7
249.16489	1.0
251.03477	1.3
252.04095	0.7
253.05121	0.6
254.05827	0.4
255.06514	3.2
255.11801	0.4
256.07294	4.1
256.09424	0.3
256.12491	0.5
257.04636	1.0
257.07877	1.9
257.13196	2.3
258.14136	1.5
259.14807	4.3
260.12827	0.5
260.15533	3.3
261.13373	0.6
261.16367	4.7
262.16980	0.4
263.06976	0.5
266.05887	0.7
267.06540	0.8
268.03879	0.9
269.04449	1.0
269.13412	0.7
270.14120	0.8
271.14954	1.5
272.06815	1.1
272.15622	1.1
273.07721	0.9
273.16324	2.1
274.17206	1.4
275.17920	2.9
276.18716	1.1
277.19464	0.3
279.06870	0.4
281.04636	0.6
281.07990	0.4
282.05276	0.6
283.06012	2.1
283.15109	0.4
284.06839	1.4
285.03931	0.4
285.07632	1.2
285.16293	1.6
286.17221	1.3
287.09122	13.4
287.15021	0.4
287.17856	2.6
288.09592	0.9
288.18713	0.8
289.19427	1.8
295.09668	0.6
297.04260	0.5
297.07584	3.0
299.05710	0.6
299.09067	0.6
299.17914	0.5
300.06293	1.4
300.18793	0.6
301.16061	0.5
301.19464	6.7
302.20114	0.9
303.21030	0.8
304.21582	0.3
305.22769	0.5
307.06329	0.4
311.05585	1.3
312.06326	1.0
313.07285	1.1
313.10617	0.4
313.19562	0.5
315.08691	3.3
315.21185	0.8
316.09189	0.5
316.21878	1.9
323.09253	0.7
325.07135	0.5
326.08020	1.2
337.10736	0.6
342.11331	0.4
343.08118	2.0
345.13431	0.4
355.11914	1.4
369.13528	0.8
373.12714	0.4
379.11938	0.6
385.21613	0.5
397.13086	0.5
397.21713	0.7
415.26505	100.0
416.26877	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01875	0.5
55.05513	4.2
65.03944	0.7
67.05504	4.9
69.03420	0.7
69.07071	1.4
70.21198	0.7
70.21552	0.8
73.50701	0.3
73.94904	0.3
77.03959	0.4
79.05492	2.7
81.07052	2.2
83.04983	9.7
91.05481	6.6
93.07044	8.6
94.32693	0.3
95.04976	1.6
95.08604	10.9
97.06538	0.6
97.20125	0.3
102.14375	0.3
103.05476	0.4
105.07035	8.9
107.08593	2.9
109.06557	0.5
109.10165	1.1
111.04437	4.9
111.08091	3.8
115.05414	2.0
116.06264	0.4
117.07011	2.4
119.08575	5.9
121.06523	1.2
121.10137	1.5
123.08086	0.7
123.11745	0.4
128.06221	9.1
128.07089	0.6
129.07021	8.4
130.07733	1.0
131.08582	4.4
133.10123	5.9
135.08081	1.3
135.11697	0.7
137.06010	0.6
139.07567	1.7
141.06989	4.9
142.07780	5.5
143.08560	17.9
144.09367	0.9
145.06482	0.4
145.10144	3.7
147.08080	0.6
147.11694	2.0
153.07069	1.5
154.07771	1.7
155.06046	0.4
155.08548	7.4
156.09346	13.7
157.10132	5.3
158.10875	0.7
159.08134	0.6
159.11697	2.3
161.09636	0.8
161.13260	0.5
165.07007	2.8
166.07794	1.4
167.08539	3.7
168.09402	1.9
169.10126	6.7
169.11485	0.4
170.10840	1.9
171.08075	2.8
171.11690	42.4
172.08820	0.3
172.12025	2.3
173.09663	1.0
173.13286	0.9
175.11200	0.8
178.07799	1.1
179.08514	3.5
180.09300	2.1
181.10115	4.6
182.10849	2.2
183.11710	5.0
184.12372	0.8
185.09587	0.8
185.13252	2.9
187.11270	1.2
191.08537	2.0
192.09273	2.3
193.10129	4.4
194.10893	2.2
195.08028	0.4
195.11697	3.7
196.12434	1.5
197.09651	0.7
197.13252	3.6
198.13933	0.5
199.11290	1.1
199.14809	0.5
201.12779	0.4
202.07846	1.0
203.08556	2.5
204.09364	2.2
205.10143	4.1
206.10924	3.3
207.11682	5.1
208.12473	1.4
209.09695	1.5
209.13243	4.0
210.13943	0.6
211.11273	1.0
211.14806	3.9
215.08546	1.7
216.09264	2.2
217.10118	5.8
218.10899	4.2
219.11688	7.8
219.13661	0.6
220.08902	0.5
220.12407	2.8
221.09700	0.4
221.13232	6.1
222.14001	1.6
223.11342	1.8
223.14821	3.9
224.15401	0.8
225.12814	1.7
225.16577	0.4
227.14392	0.4
228.09247	0.4
229.10176	2.0
230.10876	3.3
231.11700	7.4
232.12439	4.8
233.09698	0.6
233.13248	9.1
233.15642	0.5
234.13895	2.5
235.11340	0.7
235.14772	3.8
236.15318	0.5
237.12811	1.0
237.16510	1.3
239.14349	0.4
240.75098	0.4
241.10172	0.5
242.10931	0.9
243.11728	3.1
243.13933	0.5
244.12402	3.4
245.09634	0.5
245.10568	0.5
245.13257	8.8
245.15678	0.7
246.10294	0.6
246.14015	4.6
247.11102	0.7
247.14870	5.2
248.11943	0.4
248.15436	1.7
249.12839	0.7
249.16312	2.0
250.17018	0.5
251.17975	0.5
255.11650	0.7
256.12631	1.1
257.13181	4.2
257.15497	0.5
258.13965	3.3
259.11328	1.3
259.14890	7.3
260.12067	0.9
260.15628	4.8
261.12866	2.0
261.16449	8.5
262.17108	1.2
263.14325	0.8
263.17957	0.9
268.12411	0.5
269.13257	1.3
270.14139	1.2
271.11539	0.7
271.14905	3.1
272.11923	0.9
272.15576	1.6
273.12891	1.4
273.16452	7.7
274.13669	1.1
274.17206	2.9
275.14441	4.1
275.18005	9.4
275.20837	0.6
276.15100	1.6
276.18747	5.0
277.15967	1.9
277.19522	2.1
283.14841	1.3
284.12146	0.5
284.15598	0.9
285.13147	0.7
285.16461	1.6
286.13528	1.8
286.17206	2.4
287.14392	1.9
287.18011	3.3
288.15338	0.7
288.18729	1.6
289.15961	2.0
289.19626	3.3
290.20166	0.8
295.17117	0.7
297.12939	0.6
297.16498	1.0
298.17059	0.6
299.14938	0.5
299.18069	1.3
300.15070	0.4
300.18875	0.4
301.15942	5.0
301.19601	10.1
302.16684	0.6
302.20197	2.1
303.17548	2.6
303.21133	2.2
304.18188	0.9
304.21899	1.1
305.19064	0.8
305.22638	1.3
311.14426	0.8
311.17889	0.5
312.15100	0.5
313.19525	0.8
314.16641	0.4
314.20288	0.5
315.13708	0.4
315.17490	1.3
315.21201	1.9
316.18253	2.8
316.21936	9.1
317.18958	1.3
317.22540	1.5
319.17059	0.4
321.18466	0.6
323.13928	0.4
325.16077	0.5
325.19540	0.5
327.17752	0.8
327.21201	1.0
333.08710	0.4
337.15613	0.4
341.15347	0.6
341.18994	1.1
341.22852	0.9
351.21219	0.5
355.16486	0.4
359.20255	1.4
367.16605	0.4
369.22229	1.1
369.26056	0.6
373.21759	0.7
379.20688	0.8
384.19180	0.6
387.23087	0.5
397.21310	4.0
398.22000	0.8
415.26434	100.0
416.26791	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
55.05514	1.5
57.03428	0.3
65.03941	0.4
67.05503	2.1
69.03432	0.4
69.07056	0.7
69.25676	0.4
69.26081	1.2
72.55382	0.2
78.76749	0.2
79.05489	1.0
81.07059	1.6
83.04981	4.6
83.08630	0.3
91.05472	2.3
93.07040	3.2
95.04967	0.9
95.08605	4.5
99.04368	0.2
105.04545	0.3
105.07021	2.6
106.88094	0.2
106.97499	0.2
107.08598	2.3
109.02859	0.2
109.06546	0.4
109.10158	0.8
111.04432	2.8
111.08057	1.1
115.05472	0.4
117.07008	0.9
119.08574	2.7
121.06526	0.2
121.10128	1.1
123.08054	0.7
124.57006	0.2
125.06036	0.2
128.06221	1.0
129.06999	2.1
131.08577	2.2
133.10126	2.3
135.08043	0.2
135.11668	0.5
137.05981	0.4
138.06418	0.2
138.15331	0.2
139.07506	0.7
141.06981	1.1
142.07785	1.1
143.08562	2.7
144.09344	0.5
145.10136	1.6
147.08080	0.5
147.11716	0.9
153.06999	0.9
154.07771	0.9
155.08549	21.0
156.09322	2.2
157.10143	3.0
158.10904	0.2
159.08076	0.4
159.11722	1.7
161.09625	0.7
161.13289	0.3
165.06990	1.3
166.07776	0.5
167.08566	1.4
168.09315	0.7
169.10141	6.0
170.10811	0.6
171.08101	0.3
171.11681	3.8
172.08858	0.2
172.12170	0.4
173.09639	0.4
173.13219	0.5
175.11171	0.5
178.07797	0.7
179.08525	1.8
180.09258	0.6
181.10097	2.3
182.10855	0.5
183.11670	2.0
184.12373	0.3
185.09683	0.5
185.13283	0.9
187.07570	0.3
187.11162	0.2
189.07104	0.3
189.12793	0.3
191.08592	1.0
191.10580	0.2
192.09415	1.3
193.10109	3.2
194.10884	1.6
195.07988	0.3
195.11644	2.7
196.12476	1.3
197.13231	1.9
198.14093	0.3
199.11218	0.2
202.07803	0.4
203.06989	0.2
203.08528	1.1
204.09288	1.0
205.06680	0.3
205.10146	3.0
206.10889	2.4
207.11682	3.2
208.12454	3.1
209.09718	0.4
209.13264	4.0
210.13994	1.1
211.14827	7.7
212.15199	0.7
215.06949	0.3
215.08728	0.5
216.07648	0.4
216.09433	0.6
217.10100	1.9
218.10860	1.9
219.11664	5.3
219.13664	0.3
220.08752	0.2
220.12405	2.0
221.09784	0.2
221.13258	5.1
221.15303	0.4
222.13974	0.9
223.11337	0.4
223.14824	6.7
224.15404	0.5
225.16380	0.3
226.06281	0.2
229.10109	1.1
230.10915	1.8
231.11710	2.8
231.13829	0.4
232.12439	2.6
233.13240	4.1
234.13937	1.1
235.11122	0.3
235.14787	1.9
236.15385	0.3
237.12849	0.3
237.16331	0.6
239.14470	0.2
243.11736	1.2
244.12486	1.8
245.13242	6.7
245.15672	0.5
246.14006	2.9
247.14803	3.8
248.15457	1.0
249.16457	1.3
256.12534	0.4
257.13232	1.7
257.15463	0.2
258.14011	1.3
259.14807	4.7
259.17310	0.4
260.15567	2.9
261.13464	0.4
261.16379	5.1
262.16910	0.8
263.07019	0.3
263.18042	0.4
267.06638	0.3
269.13290	0.4
270.13953	0.3
271.14816	1.8
272.12317	0.2
272.15585	1.4
273.13263	0.4
273.16336	2.9
274.17068	2.2
275.14694	0.3
275.17905	5.0
276.15787	0.3
276.18600	1.8
277.16241	0.3
277.19400	1.0
278.20242	0.4
279.06409	0.3
283.14825	0.6
284.15518	0.4
285.13049	0.4
285.16403	1.0
286.17130	1.2
287.17902	2.4
288.18756	0.8
289.16403	0.4
289.19388	2.1
290.20120	0.4
293.08032	0.3
297.16330	0.4
298.17148	0.4
299.17868	0.5
300.18674	0.3
301.15933	0.7
301.19446	6.9
301.22836	0.4
302.19989	1.0
303.20999	1.3
304.21658	0.5
305.22641	0.7
313.19464	0.5
315.17773	0.4
315.20926	1.2
316.18210	0.4
316.21823	4.3
317.22406	0.8
337.10748	0.3
339.21072	0.3
341.22702	0.4
345.18268	0.4
355.11823	0.3
359.20053	0.9
369.25726	0.4
373.21518	0.4
385.21814	0.5
397.21219	0.3
397.25525	0.5
400.24341	0.5
415.26346	100.0
416.26682	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	27.6
56.74249	1.7
57.07068	10.7
67.05509	11.3
69.06728	3.0
69.07069	38.9
69.27728	4.1
69.28133	9.6
71.08604	4.8
71.87898	1.7
79.05473	5.6
81.07063	17.8
83.04963	6.8
83.08617	17.5
85.10188	2.3
91.05464	6.5
93.07037	13.1
95.08607	24.9
97.10156	16.1
98.10490	1.9
98.23143	5.8
105.07035	7.9
107.08595	6.8
109.06502	6.8
109.10131	9.5
111.11704	9.5
113.89789	1.7
118.30982	1.9
119.08571	10.3
121.06516	4.3
123.08075	6.2
123.11704	5.0
129.06966	2.0
131.08539	2.9
133.06485	2.8
133.10121	5.6
135.08011	3.7
137.05974	19.4
139.07527	5.4
142.07715	2.6
143.08545	6.5
145.10098	2.3
147.08034	5.0
149.05946	5.5
151.07536	39.8
155.08551	9.0
156.09348	6.3
159.08063	2.5
161.05991	5.4
161.09593	2.7
165.05426	10.4
165.09131	9.9
166.06253	3.4
167.07037	100.0
168.07359	4.3
169.10123	3.4
171.11688	7.8
175.07538	5.2
175.11143	2.0
177.09079	6.3
179.06998	5.9
179.10735	2.5
181.08606	5.7
181.10120	2.1
189.09113	7.1
191.07014	4.2
192.29369	1.9
193.08583	12.6
193.10199	3.2
197.13354	2.4
203.10637	5.9
205.08585	6.1
207.10109	11.0
207.11838	2.7
211.14818	3.7
217.12248	2.9
219.09987	2.3
219.11865	3.2
221.11601	3.5
223.14854	2.1
231.11571	2.6
235.13162	3.5
245.13261	3.0
247.15028	2.2
261.16333	2.8
275.17960	3.8
301.19556	3.3
316.21887	2.7
339.79178	1.9
397.30814	3.1
415.15302	3.3
415.26196	70.3
415.31927	16.1
416.26523	10.2
416.32138	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3206
Annotation	14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione
Peak:m/z	Relative Intensity
52.12912	0.9
53.03941	1.1
55.05508	6.7
57.07074	2.0
65.03946	0.9
67.05508	7.3
69.07070	9.1
69.36639	2.2
69.37051	3.9
79.05496	8.0
81.07056	15.6
83.04974	5.7
83.08627	3.9
85.06539	11.3
91.05479	9.2
93.07037	18.6
95.04987	1.8
95.08608	19.1
97.06522	1.9
97.10169	1.5
98.23322	1.9
101.06033	0.9
103.05502	1.3
105.07035	19.2
107.08594	18.7
109.06543	2.0
109.10161	7.6
111.08099	3.1
111.11646	0.9
115.05472	1.0
117.07057	3.1
119.08587	22.2
121.06528	1.4
121.10133	16.3
122.10468	1.4
123.08100	1.1
123.11682	4.6
126.96771	1.2
128.06215	1.6
129.07021	3.6
131.08577	8.8
133.10146	11.6
135.08055	3.1
135.11687	7.7
137.09683	1.4
137.13223	1.5
139.07544	1.2
141.06963	1.9
142.07819	2.5
143.08585	4.7
144.09329	1.3
145.10107	11.0
147.08026	2.8
147.11693	9.7
149.09616	2.0
149.13286	10.3
151.07555	1.5
153.05862	0.9
153.07080	1.1
153.09103	2.5
155.08553	14.7
156.09367	4.7
157.10121	3.7
159.08032	1.7
159.11707	14.4
161.09628	2.7
161.13249	12.5
163.11197	3.6
163.14847	1.9
165.12857	1.6
167.07068	1.7
167.08499	2.2
167.10693	1.9
169.10095	5.6
171.11713	10.2
173.09668	1.2
173.13266	6.7
175.11206	3.0
175.14792	6.1
177.09097	1.0
177.12773	2.2
179.08574	1.8
179.10725	1.8
181.10115	3.5
181.12227	5.2
183.11737	1.9
185.13309	3.4
187.14801	5.7
189.12804	1.7
189.16414	2.7
191.08575	1.2
191.14291	1.7
193.10170	3.3
194.10843	1.9
195.11848	1.8
195.13821	2.2
197.13283	1.9
199.14955	1.2
201.12839	1.0
201.16435	2.2
203.17943	1.6
204.09421	1.2
205.10207	2.5
205.12257	1.7
205.15993	1.6
206.10794	2.0
207.11646	2.5
208.12463	2.5
209.13303	3.7
209.15451	3.2
211.14806	7.4
213.16414	1.1
215.17993	2.9
218.10904	2.2
219.11674	3.9
219.13899	2.7
220.12395	1.5
221.13278	4.2
221.15240	2.2
223.14854	3.4
229.19826	1.0
230.10965	2.1
231.11684	1.8
231.17465	1.8
232.12454	2.2
233.13217	2.8
235.14815	1.1
235.16907	3.2
244.12520	1.7
245.13249	5.2
246.14078	2.2
247.14789	2.2
247.17079	2.7
249.16312	1.3
249.18575	2.6
258.14014	0.9
259.14847	3.1
260.15747	1.4
261.16379	4.1
261.18768	1.0
269.08017	1.4
271.14838	1.2
272.15710	1.0
273.16330	1.5
275.17932	4.0
276.18781	1.7
277.19434	1.1
278.61230	1.1
287.17966	1.2
289.19458	1.5
301.19461	5.6
303.21030	1.6
315.08624	1.3
316.21878	3.0
324.23129	1.1
325.10806	1.5
326.11554	2.0
327.08618	1.3
340.12976	2.2
341.10089	1.4
341.13770	1.9
342.10922	2.3
355.26431	1.6
356.12665	1.7
361.29175	1.1
371.15009	2.8
373.12714	1.8
379.30081	4.5
397.31024	17.5
398.31506	1.4
415.17398	2.8
415.26328	100.0
415.31879	7.7
416.26697	13.1
416.32007	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14540	4.9
59.60208	4.7
69.89855	8.0
69.90247	9.4
72.36077	4.1
79.96022	4.9
92.21308	5.5
92.21879	5.2
99.04447	6.3
105.03381	12.4
106.03630	5.3
127.03948	9.6
155.08578	5.0
157.30136	5.0
173.30855	4.7
193.08598	20.8
211.07410	6.9
217.83324	4.9
234.75529	6.0
236.08109	5.9
239.10608	8.8
241.08340	7.5
242.08864	6.1
249.08830	5.8
253.08226	8.2
258.08328	8.1
266.08942	7.4
267.09979	11.7
268.10550	14.0
269.07843	9.7
278.09039	6.2
280.07288	7.2
280.10553	8.3
282.08649	9.5
283.09296	10.9
284.06656	7.9
284.09836	8.7
286.07800	7.9
288.09460	6.4
294.08615	6.9
295.09689	10.3
296.10065	17.2
297.07324	9.3
297.10974	11.6
298.08282	11.8
298.11658	19.1
299.09082	12.8
300.09338	18.5
310.08057	8.7
310.11465	11.4
311.08926	12.4
311.12436	13.5
312.09772	10.5
312.13260	9.5
313.06790	6.2
313.10242	13.2
313.13736	8.6
314.11154	9.3
322.11414	7.5
325.10645	11.2
326.07678	9.1
326.11053	40.0
327.08405	9.7
327.11951	9.4
328.08823	16.9
330.10629	6.6
338.10873	6.1
340.12881	12.0
341.13477	78.1
342.10657	17.2
342.14178	20.3
343.11307	38.9
343.14886	7.4
344.12042	10.9
344.15775	12.5
352.12704	6.5
355.11740	22.5
356.12131	9.6
357.09195	10.4
357.13010	14.6
366.14746	5.7
367.15182	7.4
368.15738	11.3
371.14786	9.5
372.15228	100.0
374.13058	41.3
386.16840	25.3
399.14276	31.2
400.14493	6.6
416.17969	63.9
417.18509	6.6
417.27884	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14540	4.9
59.60208	4.7
69.89855	8.0
69.90247	9.4
72.36077	4.1
79.96022	4.9
92.21308	5.5
92.21879	5.2
99.04447	6.3
105.03381	12.4
106.03630	5.3
127.03948	9.6
155.08578	5.0
157.30136	5.0
173.30855	4.7
193.08598	20.8
211.07410	6.9
217.83324	4.9
234.75529	6.0
236.08109	5.9
239.10608	8.8
241.08340	7.5
242.08864	6.1
249.08830	5.8
253.08226	8.2
258.08328	8.1
266.08942	7.4
267.09979	11.7
268.10550	14.0
269.07843	9.7
278.09039	6.2
280.07288	7.2
280.10553	8.3
282.08649	9.5
283.09296	10.9
284.06656	7.9
284.09836	8.7
286.07800	7.9
288.09460	6.4
294.08615	6.9
295.09689	10.3
296.10065	17.2
297.07324	9.3
297.10974	11.6
298.08282	11.8
298.11658	19.1
299.09082	12.8
300.09338	18.5
310.08057	8.7
310.11465	11.4
311.08926	12.4
311.12436	13.5
312.09772	10.5
312.13260	9.5
313.06790	6.2
313.10242	13.2
313.13736	8.6
314.11154	9.3
322.11414	7.5
325.10645	11.2
326.07678	9.1
326.11053	40.0
327.08405	9.7
327.11951	9.4
328.08823	16.9
330.10629	6.6
338.10873	6.1
340.12881	12.0
341.13477	78.1
342.10657	17.2
342.14178	20.3
343.11307	38.9
343.14886	7.4
344.12042	10.9
344.15775	12.5
352.12704	6.5
355.11740	22.5
356.12131	9.6
357.09195	10.4
357.13010	14.6
366.14746	5.7
367.15182	7.4
368.15738	11.3
371.14786	9.5
372.15228	100.0
374.13058	41.3
386.16840	25.3
399.14276	31.2
400.14493	6.6
416.17969	63.9
417.18509	6.6
417.27884	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66639	1.3
69.83253	5.3
85.02908	1.9
91.05479	2.6
105.07037	2.0
107.01304	1.2
107.04912	1.7
109.37675	1.1
115.05499	1.5
117.07043	1.9
118.94119	1.4
137.02357	2.0
137.05968	1.5
145.06430	1.7
147.08084	2.7
160.05254	1.7
167.07098	1.5
172.00700	1.4
174.06734	3.1
175.07591	9.7
210.50374	1.3
219.10172	100.0
220.10509	7.1
235.07292	1.6
268.66644	1.4
281.07727	1.4
294.08490	1.3
315.00433	1.3
315.04947	4.1
326.10782	1.8
338.10916	3.1
343.11331	1.7
357.12866	3.1
369.06052	2.8
399.07300	2.1
417.08328	2.0
430.39331	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11673	1.2
53.95226	1.5
55.01852	2.2
57.03432	6.0
60.87387	1.4
61.02929	6.7
69.03431	18.3
70.06571	2.0
71.05007	1.9
71.28898	2.1
72.08130	1.5
73.02915	4.0
77.57591	1.2
81.03424	6.1
84.08144	16.6
85.02905	100.0
86.03245	2.5
91.03957	6.5
97.02893	20.9
99.04454	4.5
105.07040	22.6
109.02885	9.8
122.09703	10.1
127.03918	28.1
127.12305	5.6
140.65434	1.4
145.04962	53.3
146.05376	1.6
147.04375	1.7
154.51965	1.5
163.06021	24.0
237.13310	2.2
255.08394	6.3
416.15427	9.1
416.20587	1.6
417.15161	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16331	52.1
71.04983	23.3
77.91830	16.5
81.07067	27.8
84.49718	16.8
91.05437	24.2
93.07047	18.5
103.49107	18.1
105.07045	34.4
111.04433	22.1
115.72443	17.3
154.43709	15.9
155.00581	16.0
157.59651	18.1
159.11647	19.1
167.07069	33.2
173.13333	24.5
175.07661	15.7
181.04950	42.7
184.76912	16.9
191.14357	20.6
193.12253	18.2
199.47580	18.9
219.13821	100.0
237.14862	51.4
251.10710	20.4
289.12381	16.8
417.11859	20.2
417.16867	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.05505	2.1
62.96746	1.2
67.05509	10.7
67.76183	1.2
69.03433	1.7
69.07065	4.0
69.36182	4.1
69.36584	3.3
71.08635	1.3
71.43584	1.3
79.05495	4.9
80.70202	1.2
81.03432	1.6
81.07059	9.4
85.02908	9.4
91.05473	9.8
93.07053	7.5
95.08606	14.1
97.02919	2.0
100.11254	1.9
105.07031	20.3
107.08589	8.8
109.06511	1.4
109.10159	38.1
110.10492	2.4
111.04461	1.4
117.07011	10.0
119.08591	15.4
121.10163	6.1
123.11745	2.6
127.03959	1.5
130.07750	1.6
131.04115	1.3
131.08585	13.8
133.10149	6.2
135.11710	2.6
137.06038	2.8
143.08597	2.0
145.04912	1.6
145.10127	33.0
146.10480	1.3
147.11655	2.6
157.10179	3.2
159.11705	18.4
160.12047	1.7
161.13289	5.3
167.07071	5.8
173.13332	3.1
174.86299	1.2
181.05017	3.9
186.14154	1.4
201.16388	100.0
202.16708	6.9
203.17995	5.8
219.17401	14.3
221.35077	1.3
416.19348	4.8
417.20599	2.7
442.31104	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35866	0.5
55.05509	0.8
58.83884	0.7
67.05494	2.7
69.07038	0.9
71.08620	0.6
73.06551	0.6
79.05491	1.2
81.07058	1.0
83.08624	0.6
93.07029	1.1
94.07825	0.6
95.08600	6.6
98.22569	1.8
98.23296	2.5
105.07016	1.3
107.04945	4.7
111.04430	1.0
116.46738	0.6
121.06522	1.2
122.07281	7.5
123.08073	9.9
124.08817	0.8
125.98190	0.6
135.08064	3.2
137.05945	3.0
138.06754	0.8
139.16580	0.6
145.10100	0.7
145.72363	0.5
150.05518	0.8
150.06750	17.6
151.07538	100.0
152.08249	6.6
161.26590	0.6
163.07510	1.3
163.11118	1.6
164.08366	3.0
165.09061	0.7
173.09636	1.9
176.08270	1.2
177.09125	1.8
191.10672	15.7
205.12186	1.1
305.53384	0.6
330.23135	0.6
378.36343	0.6
416.26874	3.5
416.36469	56.7
417.28262	2.8
417.36905	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65389	15.1
66.34606	17.1
67.09603	14.1
71.29960	24.1
71.30321	16.1
85.02924	20.1
88.50696	18.4
91.05493	25.4
93.07066	16.0
123.04507	24.1
133.10060	15.7
137.02380	24.7
137.05960	22.5
167.07025	44.4
181.04950	34.7
219.10161	22.0
220.10515	42.0
273.04214	27.4
315.05032	89.1
327.05002	31.3
341.06653	37.3
369.06012	63.7
381.05981	27.9
385.12830	23.2
399.06860	60.5
403.64014	16.8
417.08405	30.5
417.13953	100.0
424.31235	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97754	0.7
56.96552	0.8
67.98376	0.6
68.27061	0.7
69.03407	2.3
69.07047	0.7
69.24774	1.2
69.25176	4.5
70.06567	0.9
72.08130	1.7
73.02876	0.7
74.06033	0.7
79.05466	1.0
79.09994	0.6
84.08140	8.4
85.02881	2.8
86.09674	2.1
89.81987	0.6
90.49265	0.9
91.05425	0.9
97.02827	0.7
103.68378	0.8
107.04905	1.5
110.47708	0.8
123.04333	2.2
127.12268	2.9
139.03867	1.1
147.04381	1.0
163.07607	0.6
163.11111	1.3
165.01854	0.8
175.03735	1.2
177.01938	0.6
177.05360	1.0
181.08517	0.7
181.12201	0.8
185.04132	1.3
191.07027	0.6
192.27559	0.6
219.02977	0.8
229.06895	2.3
237.14888	0.7
255.11960	0.9
255.15765	2.4
295.05896	0.7
309.07571	0.9
317.08411	69.7
318.08850	3.8
417.13733	100.0
418.14029	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1518
Annotation	Halopemide
Peak:m/z	Relative Intensity
50.25129	0.3
57.24104	0.3
65.51812	0.3
69.36512	1.7
69.36911	0.8
72.08159	0.5
74.88568	0.4
86.09691	0.5
96.90327	0.4
130.95157	0.3
135.39656	0.4
135.50143	0.4
150.21655	0.3
169.43332	0.3
175.03676	2.9
176.61359	0.4
198.02649	0.4
220.07097	1.6
274.97937	0.4
369.13046	1.2
372.52756	0.4
417.15176	100.0
418.15500	10.8
430.18375	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.3
67.05494	2.5
69.07056	1.5
79.05491	1.6
81.07056	2.6
83.04974	2.3
83.08626	0.9
91.05470	3.1
93.07042	4.1
95.04986	1.0
95.08599	6.5
97.10217	0.7
98.98414	0.7
105.07017	4.2
107.08592	3.8
109.06542	0.8
109.10153	2.3
111.04420	1.6
111.08118	1.7
116.27592	0.8
119.08607	3.2
121.10169	2.2
128.06213	1.1
129.07014	2.2
131.08586	1.9
133.10143	2.1
141.07027	1.6
142.07771	0.9
143.08537	3.9
145.10126	2.2
147.11696	1.4
152.06277	0.8
153.07019	1.9
154.07811	1.3
155.08551	6.5
156.09291	2.4
157.10132	4.3
159.11711	2.5
161.09656	0.9
163.07472	0.8
165.07013	2.6
166.07761	1.1
167.08568	2.8
168.09361	1.6
169.06465	0.9
169.10110	6.2
171.11682	4.7
173.13313	0.7
178.07800	2.9
179.08560	6.3
179.10181	0.8
180.09335	1.6
181.06458	3.5
181.10118	4.3
182.07178	0.6
183.11731	2.9
185.13223	1.6
189.12761	0.8
191.08545	2.0
192.05669	1.1
192.09329	2.0
193.06525	1.0
193.10115	6.6
194.07362	1.0
194.10895	2.1
195.06372	0.7
195.08034	2.4
195.11690	3.8
196.08817	2.5
197.06000	1.2
197.13232	2.0
198.06831	0.9
199.14995	0.8
205.06470	1.8
205.10208	2.7
206.07358	1.5
206.11028	3.5
207.08012	3.6
207.11682	9.8
208.12434	4.3
209.06007	2.8
209.09644	2.0
209.13261	4.8
210.06552	1.4
210.13922	0.8
211.07541	3.7
211.11292	1.9
211.14842	5.1
212.04553	0.7
212.08104	0.8
213.05551	1.2
213.09071	1.3
219.08104	1.2
219.11658	2.6
220.05258	1.6
220.12474	2.3
221.05968	2.9
221.13271	10.4
222.06805	2.5
222.13905	1.9
223.03888	1.1
223.07510	3.4
223.11258	1.0
223.14819	11.3
224.04802	1.0
224.08308	6.8
224.15456	1.2
225.05493	2.2
225.09023	2.3
226.06282	2.4
227.07051	2.1
231.11716	1.0
232.12538	1.4
233.06029	0.8
233.13193	3.4
234.06810	2.3
234.14040	2.6
235.07533	5.2
235.14763	6.8
235.16887	1.0
236.08286	3.2
236.15561	0.9
237.05452	6.0
237.09074	3.5
237.16422	1.9
238.06241	2.6
238.25285	0.7
239.06989	4.8
239.10600	5.0
240.07695	1.9
241.05025	2.5
241.08557	4.1
242.05603	0.8
245.13121	1.0
247.14771	3.6
248.15662	1.3
249.05518	2.1
249.16388	5.3
250.06271	2.9
251.06940	4.1
251.18007	1.6
252.04091	0.9
252.04996	0.7
252.07788	8.5
253.04979	2.3
253.08400	3.6
254.05634	3.4
254.09441	1.0
255.06412	1.3
255.10222	1.0
256.07312	1.3
259.14716	0.9
261.16400	2.7
262.06250	1.3
262.17191	1.6
263.07019	5.0
263.17935	8.5
264.07773	1.8
265.04987	2.8
265.08551	5.9
266.05847	1.3
266.09332	3.0
267.06570	6.4
267.10168	11.9
268.07254	3.4
268.10529	1.4
269.08066	5.1
269.11847	0.9
270.05142	1.0
271.05975	1.3
273.16321	1.1
275.18033	2.2
276.18793	1.4
277.16260	1.5
277.19467	10.1
278.05823	1.4
278.20294	2.2
279.06519	3.0
279.09384	0.7
279.20917	1.6
280.07217	4.5
281.08051	3.0
282.05667	0.9
282.08755	3.1
283.05948	1.0
283.09634	1.4
284.06805	5.7
284.09979	1.4
285.07669	1.5
289.19464	0.9
291.06567	1.5
292.07208	1.2
293.08127	8.6
294.08810	3.7
295.06104	2.2
295.09619	22.5
296.06842	1.7
296.10242	3.0
297.07565	3.1
297.11234	5.2
298.08261	1.4
298.11557	1.0
299.09152	13.6
299.12418	1.1
300.06259	1.4
300.09512	1.6
301.06894	0.8
301.10486	0.8
303.21063	2.3
309.07550	1.9
310.08295	6.5
311.09009	4.0
312.09598	1.2
313.07019	1.8
314.07806	1.8
315.08536	4.1
317.22665	1.3
318.23376	1.0
323.09174	2.4
324.09918	2.3
325.10660	41.3
326.11279	5.4
327.08636	3.2
327.12271	7.1
328.09317	1.6
329.10211	5.2
340.09409	1.2
341.10178	2.1
342.10834	7.6
343.11349	1.3
344.11258	0.9
355.11765	24.6
356.12088	3.2
357.13293	26.6
358.13794	3.4
367.11768	0.8
399.14343	2.6
417.27875	100.0
418.28220	9.2
418.38846	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1543
Annotation	Lophotoxin
Peak:m/z	Relative Intensity
55.01870	1.6
55.05504	2.2
55.37634	0.8
56.56757	0.7
57.03436	1.4
59.04990	1.5
60.90104	0.7
62.49930	0.7
65.03948	0.7
67.05494	2.4
68.99771	0.9
69.03416	2.0
69.07057	2.4
69.49435	2.1
69.49857	3.0
71.04988	1.0
71.66367	0.8
73.06580	0.8
75.04478	2.8
79.05492	2.8
81.07048	1.4
83.04981	3.0
85.02891	1.4
85.06554	1.9
87.04445	0.8
91.05479	2.6
93.07051	2.7
95.04972	2.9
95.08605	3.4
97.06535	9.6
99.04465	1.4
101.06013	10.4
103.05445	1.1
105.07041	3.3
107.08593	1.5
109.02874	1.4
109.06536	1.5
109.10169	0.9
111.04429	2.0
113.06039	2.0
115.03915	1.4
115.05441	1.6
117.07019	2.0
119.08580	1.5
121.06498	0.9
123.04411	1.6
123.08067	1.3
125.05957	1.7
126.03137	1.5
127.03898	1.5
127.07590	1.0
128.06235	2.1
129.05486	1.7
129.07019	2.7
131.04918	1.1
131.08672	0.8
133.10190	1.9
135.08063	2.0
137.05952	0.9
140.22554	0.6
141.05435	5.2
141.06995	1.3
142.06265	1.4
142.07832	1.0
143.08566	2.6
145.06485	2.5
145.10118	1.9
146.07304	1.1
147.04518	0.8
147.08081	1.2
151.03883	5.6
151.07616	1.1
153.05545	1.5
153.06996	1.3
155.07153	1.8
155.08569	3.7
157.02896	0.9
157.06499	2.9
157.10176	1.9
158.07236	1.0
159.04422	1.5
159.08076	3.5
161.09647	3.7
163.03902	1.4
165.01839	1.2
165.05521	0.9
165.07043	1.9
166.07736	1.5
167.07060	2.8
167.08493	1.7
169.06601	1.3
169.08795	0.9
169.10146	1.7
171.04364	1.4
171.08054	1.9
171.11696	2.4
173.05968	2.2
173.09608	1.6
175.03963	2.4
175.07541	3.3
177.09140	1.0
178.07799	1.2
179.03343	0.9
179.08614	1.5
181.04951	1.6
181.08641	1.3
181.10123	1.9
182.07318	1.5
183.06606	1.1
183.08047	1.9
183.11719	1.0
185.05975	6.8
185.09673	1.2
187.03946	2.4
187.07574	2.8
189.01912	1.1
189.05504	3.0
189.09126	4.1
190.06287	1.1
191.03461	2.7
191.08597	0.9
193.10190	2.1
194.10956	1.2
195.08110	1.2
195.11777	2.1
196.08899	1.0
197.06004	2.3
197.09680	1.9
199.03989	2.3
199.07622	1.8
200.04753	2.4
201.05461	3.8
201.09132	1.6
202.06229	1.6
203.03389	1.7
203.07057	2.9
203.08681	1.0
205.04953	1.5
205.08681	2.1
207.10100	1.5
209.05989	1.0
209.09682	1.5
209.11560	1.5
211.07582	2.2
211.11182	0.9
211.14865	1.2
212.04732	1.6
213.05440	11.8
213.09027	1.3
214.06160	2.2
215.03516	3.9
215.07010	6.0
216.04207	1.6
216.07620	1.6
217.04967	1.8
217.08456	4.0
219.06487	1.1
219.10059	1.0
219.11954	1.0
221.09619	2.8
223.07489	1.7
223.11290	1.2
225.05571	2.6
225.09157	2.6
226.06239	1.3
227.03441	2.7
227.07011	5.6
228.04233	3.6
229.04951	5.6
229.08644	2.1
230.05811	1.8
231.03000	2.8
231.06618	2.3
235.07524	1.4
237.09087	1.5
238.06238	1.1
239.03546	1.0
239.07016	3.7
239.10777	2.3
240.04248	1.5
240.07866	2.7
241.04974	9.6
241.08636	3.3
242.05688	4.6
243.02982	3.1
243.06493	7.7
243.10181	1.2
244.03584	1.3
245.04504	2.1
245.08131	3.3
245.13345	0.9
249.09213	1.5
251.07037	1.7
252.07874	1.3
253.04970	1.7
253.08609	3.8
255.06573	7.3
255.10097	2.6
256.03641	4.2
256.07346	1.8
257.04337	4.5
257.08130	4.0
258.05347	2.4
259.05942	4.5
260.06598	1.9
262.13519	0.9
263.07224	1.1
264.07797	1.0
265.08676	2.6
266.09308	1.7
267.06564	2.3
267.10211	3.4
268.07288	1.8
269.04535	2.0
269.08087	5.2
269.11511	0.9
270.05258	2.5
270.08664	1.8
271.06082	9.8
271.09570	2.4
272.06714	4.2
273.03973	7.9
273.07562	3.8
274.04559	1.2
274.08646	0.9
275.09344	2.2
277.08539	1.5
279.09885	0.8
280.07550	1.0
280.10864	1.1
281.08319	2.1
281.11621	1.2
282.08990	2.4
283.06174	2.6
283.09695	3.5
284.03561	0.9
284.06934	2.3
285.04486	1.4
285.07617	7.2
285.11099	1.4
286.04926	1.5
286.08118	1.3
287.05591	2.8
287.09076	1.5
288.06247	5.4
289.06982	1.1
293.08124	1.6
295.06427	1.1
295.09738	2.3
297.07565	2.5
297.11276	4.5
299.05554	2.7
299.09256	2.1
299.12491	1.5
300.06180	1.6
301.07181	4.7
301.10516	1.6
302.07800	0.9
303.08615	29.9
304.09015	3.2
305.19003	0.9
306.08945	1.1
307.09750	2.7
309.07742	1.2
309.11230	1.6
310.08359	1.1
311.09253	1.9
313.07178	1.8
313.10605	1.2
315.08762	2.0
315.12265	1.3
317.06714	4.1
317.10126	1.4
319.08179	1.4
325.10666	4.7
327.08722	1.8
327.12378	2.9
329.10220	2.9
329.13940	2.1
339.12396	3.2
341.10132	1.9
343.11646	1.9
357.13318	8.4
367.11823	1.5
375.14368	100.0
376.14731	8.5
381.13580	0.9
385.12878	2.9
399.14575	3.7
399.23206	2.1
417.15503	52.4
417.19617	2.3
417.24396	17.5
418.15924	4.7
418.24738	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1543
Annotation	Comazaphilone E
Peak:m/z	Relative Intensity
53.03973	0.8
55.01920	0.8
65.03938	3.6
66.04768	0.6
67.05505	2.1
69.03460	0.7
69.06807	3.7
69.07147	0.5
78.04713	3.3
79.05490	3.1
81.03468	0.9
81.07104	0.7
82.04256	1.8
83.05026	0.5
85.02907	2.5
91.05484	3.5
93.03471	1.3
93.07104	1.6
95.04959	3.1
95.08638	1.0
97.06598	1.3
103.05470	8.8
105.03429	0.9
105.04578	0.5
105.07031	2.2
106.04232	1.5
107.04970	5.3
107.08650	0.6
108.02152	0.5
109.06557	0.8
110.03701	1.3
111.04454	0.9
115.05457	4.3
117.07032	6.6
118.04179	2.9
119.05008	0.9
119.08617	1.2
121.06571	0.7
123.04443	8.6
124.05224	4.1
125.06037	1.0
127.05488	0.9
128.06190	0.8
129.07060	0.9
130.04160	1.0
131.04936	6.3
131.08557	0.7
132.05669	0.6
133.02863	0.7
133.06502	1.2
134.03616	0.7
135.04446	0.5
135.08073	0.7
137.02350	0.4
137.06000	1.9
138.03152	1.3
141.07008	0.5
142.02628	1.5
143.04996	0.5
144.05724	0.8
145.06496	8.8
145.10167	0.7
146.03648	0.7
147.08057	0.9
148.05190	4.5
149.05521	0.4
151.03928	2.1
151.07597	1.0
152.04695	2.6
153.05463	1.3
155.04922	0.5
155.06047	4.0
155.08556	1.4
156.05560	0.5
159.08049	0.7
161.05966	1.0
163.07533	6.5
165.05461	0.6
167.07040	100.0
168.07394	3.9
171.06509	2.6
172.05289	0.5
173.05978	15.2
173.09645	1.5
174.06340	0.8
175.07532	0.9
176.04686	0.7
177.05501	0.6
178.07707	0.7
179.08601	0.7
181.04956	50.6
182.05315	2.3
183.11745	0.5
187.07472	0.7
188.74190	0.4
189.05421	0.5
191.07033	23.2
192.07426	1.0
192.09244	0.5
193.08539	0.5
193.10091	0.6
195.06477	1.1
197.09692	0.4
201.05278	0.4
202.16609	0.7
205.08611	3.0
207.06403	0.8
207.11758	0.5
209.07947	0.8
209.09703	0.8
211.11142	0.8
217.08543	1.1
219.10112	1.1
221.07867	0.6
223.10989	0.7
226.68578	0.5
233.08054	7.3
234.08559	0.6
235.09602	3.9
241.08553	0.9
247.11053	0.6
261.09079	0.4
263.09052	1.0
263.14194	0.8
277.15695	0.6
285.07376	0.4
286.08173	0.5
293.11212	0.5
295.09705	0.5
303.17398	0.5
307.09540	0.5
323.08707	0.5
329.09781	1.3
339.11917	0.6
357.12802	0.7
367.11508	0.9
369.12970	0.6
371.14813	0.5
381.12924	0.8
385.12582	0.8
387.14398	11.9
388.14261	1.1
399.13785	1.7
399.23068	0.6
417.14740	19.4
417.23166	10.2
417.29251	1.2
418.15186	2.0
418.23932	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.05497	2.6
57.03427	0.9
57.07088	2.1
63.03295	0.9
64.02007	1.0
67.03091	1.0
67.05498	4.0
69.07075	3.0
69.60948	4.7
71.02729	1.0
79.05495	2.3
81.07058	3.5
83.04985	7.3
83.08603	1.7
90.24189	1.2
91.05476	3.7
93.07021	5.0
95.08619	6.6
105.03419	2.5
105.07046	5.5
107.08594	2.8
109.06528	0.9
109.10181	1.6
111.04459	2.1
111.08094	2.5
117.07036	1.3
119.08595	4.6
121.06493	1.3
121.10141	2.2
129.07002	3.0
131.08583	4.8
133.10139	3.8
135.11694	1.4
139.07532	1.7
141.07056	1.3
142.07799	2.2
143.08583	3.5
145.10129	3.2
147.11618	2.4
155.08572	7.0
156.09297	4.1
157.10124	6.7
157.78542	1.0
158.10910	1.0
159.11728	3.3
161.09602	1.4
161.13219	1.0
165.07001	1.4
166.07724	1.4
167.08601	1.1
169.10165	7.6
171.11653	6.1
173.09660	1.5
173.13303	4.0
178.07825	1.7
179.08560	4.8
180.09430	1.0
180.73964	1.0
181.06459	2.0
181.10094	4.1
182.10764	1.1
183.08122	1.5
183.11743	2.8
185.13274	2.6
191.08562	1.7
192.09323	2.2
193.10146	5.5
194.10959	2.0
195.08051	1.8
195.11644	3.6
196.08861	1.7
196.12451	1.3
197.05975	1.9
197.13387	2.5
205.06548	2.0
205.10141	2.8
206.07245	1.4
206.10945	3.5
207.08055	3.2
207.11728	7.0
208.12503	3.9
209.05994	3.3
209.09656	1.2
209.13293	3.7
210.06812	2.2
211.07675	2.4
211.11308	1.4
211.14859	5.7
213.16463	1.3
218.10971	1.6
219.11678	4.0
220.05220	2.0
220.12553	3.3
221.06038	2.5
221.13257	9.3
222.06761	2.3
222.13890	2.1
223.07545	2.2
223.14781	10.5
224.08403	6.0
225.05533	2.8
225.08977	2.1
225.16408	2.1
226.06200	2.5
227.07033	2.2
231.11703	2.2
232.12608	2.5
233.06041	1.2
233.13237	4.3
234.06630	1.6
234.14006	2.7
235.07466	5.3
235.14821	4.1
236.08237	2.8
237.05449	5.9
237.09129	3.1
237.16370	2.6
238.06177	3.5
239.07005	4.2
239.10649	4.3
240.07782	3.0
241.08600	2.9
245.13367	1.5
246.13902	1.4
247.14816	4.5
249.05397	1.7
249.09135	1.7
249.16408	4.2
250.06323	3.9
251.07002	5.0
251.17879	1.7
252.07831	7.5
253.04996	2.4
253.08575	2.8
254.05812	3.0
255.06459	2.1
260.15347	1.1
261.16360	3.5
262.17130	1.2
263.07111	3.7
263.17932	6.0
264.07944	2.3
265.05045	2.3
265.08676	6.9
266.05844	1.7
266.09311	1.3
267.06549	5.1
267.10208	12.3
268.07248	3.3
268.10635	1.5
269.08228	5.6
269.10916	1.1
275.17941	3.1
276.18707	1.6
277.19458	7.6
278.20270	1.9
279.06537	2.9
279.21094	2.0
280.07364	2.9
281.08130	2.8
282.08871	2.3
284.06824	5.9
284.10190	1.6
287.05530	1.4
289.19455	1.7
291.06683	1.8
291.21127	1.3
293.08008	6.4
294.08759	3.2
295.06180	2.9
295.09576	19.0
296.10291	2.5
297.07861	2.4
297.11212	4.1
298.08176	1.3
299.09140	11.0
300.06277	2.3
303.21072	3.9
305.22607	2.0
309.07581	3.6
310.08398	6.2
311.09207	3.0
312.09924	1.8
313.07120	1.8
315.08691	4.0
318.23489	3.8
323.09033	2.6
324.09958	1.2
325.10684	38.9
326.11316	5.2
327.08725	2.8
327.12329	7.4
329.10107	2.7
340.09543	1.4
341.09982	1.3
342.10922	8.4
355.11703	19.9
356.12411	4.2
357.13333	22.4
358.13788	1.9
361.21506	1.6
402.13742	1.2
417.27887	100.0
418.28281	6.8
418.38736	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1544
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
52.20574	0.6
53.03942	1.4
53.75218	0.5
55.01872	1.6
60.55449	0.5
65.03941	4.9
66.04736	1.0
67.05508	2.3
69.03431	1.6
69.35707	3.8
77.03939	0.6
78.04713	3.0
79.05495	5.1
81.03409	0.9
81.07048	2.4
82.04202	2.2
83.04991	0.6
85.02901	3.8
91.05471	3.6
93.03390	1.1
93.07047	1.0
93.56902	0.6
95.04977	3.2
95.08621	1.2
97.02884	1.1
97.06522	1.6
103.05475	20.3
105.03391	1.5
105.07027	3.9
106.04166	2.5
107.04963	5.9
107.08586	1.1
108.02088	1.0
109.02908	0.9
109.06490	0.8
109.10201	0.6
110.03666	1.7
111.04407	1.7
115.05457	6.0
117.07021	7.0
118.04150	4.9
119.04957	0.9
119.08590	1.1
120.05743	1.0
120.99290	0.6
121.06500	0.9
123.04441	8.2
123.08069	0.8
124.05229	3.0
125.05997	2.1
127.05415	0.9
130.04150	1.4
131.04936	13.0
132.05719	1.0
133.02884	3.4
133.06477	2.7
133.10170	0.7
134.03607	1.1
135.08025	1.6
137.05965	2.6
138.03087	1.1
142.02617	1.4
144.05667	0.7
145.06480	10.3
145.10063	0.8
146.03627	1.4
147.04440	1.1
147.08067	1.3
148.05191	10.3
149.05923	1.0
151.03903	2.3
152.04698	2.7
153.05453	1.7
155.06026	4.8
157.06502	0.8
159.08006	1.0
161.06042	1.5
163.07547	15.3
165.05453	0.7
167.07042	100.0
168.07414	3.2
169.10036	0.8
171.06522	2.7
173.05972	13.4
174.06615	0.8
175.07521	1.2
176.04729	2.3
177.05429	0.8
179.07042	1.0
179.08531	0.6
181.04962	68.1
182.05322	2.0
183.06509	0.9
185.09602	0.6
187.07533	1.6
191.07031	53.6
192.07408	2.1
193.04915	0.8
193.08559	1.1
195.06522	2.1
201.05513	1.4
205.08470	3.1
205.10248	0.7
207.06467	1.1
207.10101	1.1
209.08086	1.9
218.07338	0.6
219.10176	2.0
220.17850	0.8
233.08029	9.0
233.09938	1.0
234.08549	0.6
235.09486	4.1
241.08580	0.7
243.11739	0.6
261.12708	1.0
263.09094	1.8
267.10141	1.5
277.15833	0.7
291.17056	0.8
295.09552	0.7
301.15948	1.4
309.07715	1.0
309.11224	0.8
325.10724	0.8
329.10226	1.2
349.10617	0.7
357.13577	1.3
367.11719	1.1
368.16068	0.8
371.15222	0.7
385.12653	2.3
387.09680	1.0
387.14368	10.3
388.14874	1.2
399.14346	1.7
399.19104	0.9
417.15323	17.9
417.19696	10.0
418.15512	2.2
418.20532	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.9
55.05511	5.5
67.05505	10.6
69.07067	6.9
69.80096	10.5
69.80515	5.5
79.05483	9.9
81.07059	16.9
83.08648	3.0
91.05482	12.8
93.07047	14.6
95.08606	25.1
97.06529	3.0
98.22664	3.2
100.00985	2.6
105.07038	27.0
107.08591	22.2
109.06496	3.1
109.10159	15.5
111.08089	4.4
117.07037	8.3
119.08593	32.7
121.10121	10.7
123.08062	3.1
123.11709	4.3
128.06262	3.5
129.07019	8.0
131.08575	18.3
133.10117	13.6
135.08029	5.2
135.11685	9.8
141.06981	3.5
142.07777	4.2
143.08551	18.3
144.09369	3.2
145.10118	23.8
147.11681	16.2
149.09654	3.4
149.13225	3.4
153.06984	3.1
155.08563	9.4
156.09235	7.6
157.10127	20.5
158.10883	3.3
159.11702	25.6
161.13258	7.3
163.11214	3.3
163.14853	3.2
165.07004	4.9
167.08554	5.9
169.10117	10.6
171.11691	18.1
173.13271	14.8
175.11223	4.1
175.14801	3.4
178.07816	5.3
179.08580	10.3
180.09195	3.2
181.06464	7.2
181.10156	7.8
182.10928	4.4
183.11697	10.9
185.13232	14.3
187.14778	8.4
189.12747	4.5
189.16364	4.0
193.10068	5.1
194.07242	9.9
195.08012	5.2
195.11714	9.4
196.08820	8.3
197.06018	6.2
197.13235	9.3
198.06754	3.0
199.14903	18.1
201.12729	5.3
201.16405	11.7
203.14258	2.7
203.17909	3.4
205.06505	8.2
206.07318	4.2
207.08060	6.9
207.11685	5.0
208.08620	3.9
208.11900	3.2
209.05994	9.0
209.09636	6.1
209.13245	6.5
210.06740	6.0
211.07509	8.0
211.11263	3.5
211.14737	9.3
213.09146	3.5
213.16394	8.9
215.14348	3.7
217.15837	5.5
221.05951	4.8
221.13211	7.3
222.06747	12.1
223.07468	6.5
223.14822	7.6
224.04593	2.9
224.08279	13.8
225.05392	8.4
225.09016	4.7
225.16356	6.5
226.06255	7.9
227.06952	6.1
227.17973	3.7
229.05173	3.4
229.15756	3.9
233.13257	5.7
234.06709	3.3
235.07538	14.0
235.14864	8.6
236.08266	9.8
237.05513	22.8
237.09132	11.7
237.16386	4.4
238.06134	7.4
239.07007	12.3
239.10649	13.5
240.07794	5.6
241.08525	6.6
249.05453	4.8
249.16307	8.1
250.06305	16.0
251.07007	15.3
251.17999	3.7
252.07841	22.9
253.04973	10.4
253.08501	8.9
254.05685	8.5
263.07004	13.0
263.17957	4.7
264.07639	7.9
265.04984	7.4
265.08618	26.0
266.05710	7.2
266.09192	7.3
267.06674	17.5
267.10150	30.8
268.07312	13.5
268.10199	5.0
269.08093	14.1
269.18805	3.0
270.05368	3.3
271.06021	3.7
275.18021	5.2
277.19449	8.8
279.06439	10.5
280.07245	9.3
281.08096	10.4
282.08908	13.0
283.09558	3.9
284.06772	16.7
284.09799	4.1
287.05157	3.5
289.09726	5.2
291.06497	4.8
293.08072	16.6
294.08716	10.8
295.06058	10.6
295.09561	62.2
296.10135	5.7
297.07501	8.8
297.11215	14.5
299.05856	4.4
299.09137	27.7
299.12323	5.7
300.06201	4.1
309.07629	4.8
310.08328	15.9
311.08975	4.8
313.06824	4.0
314.07816	3.6
315.08591	13.0
323.09149	6.8
324.09888	3.7
325.07391	3.8
325.10681	100.0
326.11163	12.9
327.08594	7.9
327.12311	19.9
329.10165	9.7
330.07330	6.6
331.24280	3.7
339.12192	6.6
341.10233	32.7
342.10928	30.1
355.11755	69.4
356.12146	10.0
357.13318	70.9
358.13583	7.0
384.11942	8.4
399.14114	5.6
399.30399	5.9
402.13168	10.4
417.15747	4.3
417.27502	21.1
417.32101	83.8
418.31995	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.6
53.03931	0.7
55.01859	1.9
65.03957	3.6
66.92640	0.5
67.05492	1.6
69.03442	1.4
69.08454	3.1
69.08879	2.2
73.03951	0.6
73.36466	0.6
78.04711	3.5
79.05480	4.2
80.66226	0.5
81.07061	1.4
82.04181	1.2
83.04986	1.1
83.08612	0.7
84.04565	0.7
85.02910	2.2
91.05474	2.6
93.03419	0.7
93.07020	1.6
95.04965	1.6
95.08568	1.6
96.05783	0.7
97.06535	0.7
98.23495	1.0
100.11241	2.2
103.05477	5.9
105.07021	1.6
106.04152	1.7
107.04944	5.4
107.08616	1.4
108.02098	0.7
109.06518	0.9
109.10150	0.9
110.03671	1.6
111.04446	1.2
115.05451	4.1
117.07023	4.8
117.94471	0.7
118.04150	1.3
119.04946	0.6
119.08584	1.3
121.06513	0.8
123.04433	7.1
123.08224	0.6
124.05226	2.9
125.06037	1.2
127.05496	0.9
129.06985	0.8
131.04927	3.7
133.06499	1.3
134.03603	0.6
135.04381	0.5
137.05954	2.0
138.03087	1.2
142.02626	1.0
143.04984	0.6
143.08589	0.6
144.05641	0.7
145.06493	8.5
147.08049	1.1
148.05164	2.5
150.52946	0.6
151.04007	1.2
152.04695	2.2
153.05518	0.8
155.06023	3.2
159.04448	0.6
159.29593	0.5
161.06004	1.1
163.07600	3.2
167.07039	100.0
168.07397	2.8
171.06557	1.7
173.05980	13.7
174.06369	0.9
179.80644	0.6
181.04959	41.7
182.05270	2.0
182.15417	1.2
187.07568	0.6
191.07030	12.3
195.06485	1.0
205.08635	3.2
207.06337	0.6
210.14908	1.2
217.08539	0.8
219.11819	0.8
233.08067	7.4
235.09586	2.9
237.12827	0.7
261.12735	1.3
263.09329	0.7
275.70868	0.6
279.13715	1.3
283.13046	0.8
301.15854	1.8
319.16974	1.4
329.10132	0.8
357.13382	0.8
381.13150	0.7
387.14453	12.9
388.14731	0.9
399.14621	0.8
399.18906	0.8
399.23538	1.3
417.15298	18.0
417.19934	2.1
418.15515	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.5
67.05508	1.3
69.06498	9.4
69.07065	1.1
75.04514	1.4
79.05505	2.0
81.07043	1.8
83.04985	1.1
89.53867	1.0
91.05475	3.3
93.07084	1.5
95.08620	3.0
99.08086	1.9
105.07058	2.5
109.10151	1.2
118.26215	1.0
119.08582	2.5
128.06219	1.4
129.06989	1.5
133.10127	1.5
143.08554	1.1
146.21629	0.9
153.07022	1.1
155.08611	1.8
157.10094	1.2
158.07317	1.3
158.89024	1.0
159.08044	2.2
165.06953	1.5
167.07178	1.3
167.08501	1.3
169.06509	2.0
169.10074	1.4
171.08092	2.7
173.09636	1.8
179.08533	1.0
181.04974	4.0
181.06444	1.4
183.08009	1.2
183.11687	1.6
184.05209	2.0
184.89284	0.9
185.39854	1.2
192.09291	1.7
193.10141	2.1
195.06570	6.9
195.08069	1.5
195.11740	1.2
197.06021	2.3
198.06725	1.7
199.07545	3.1
207.07954	1.2
207.11646	2.4
210.06886	1.6
211.07550	2.6
211.11177	1.9
212.04674	1.3
212.08302	1.3
213.09198	1.0
214.87912	1.2
215.08803	1.1
217.10196	1.2
219.08318	1.4
219.11754	1.9
221.09543	1.7
221.13239	1.5
223.11203	1.6
224.08286	1.6
225.05569	1.3
225.09132	2.5
226.06155	1.5
227.07025	11.1
227.10680	1.2
229.08580	1.5
232.08894	1.7
233.09702	1.9
235.11220	1.8
237.09134	1.4
238.09677	1.7
239.07104	3.4
239.10652	1.1
240.07661	1.9
241.04913	1.6
241.08652	3.6
242.05830	1.9
242.09366	3.8
243.06580	2.1
247.11166	2.5
247.14729	1.3
248.08374	2.2
249.09109	3.6
249.12936	1.1
249.16307	1.0
250.09769	1.1
251.07141	1.3
251.10831	1.8
252.07755	1.3
252.11200	1.7
253.08641	2.9
254.05690	1.6
254.09366	3.5
255.06552	5.5
255.10167	3.0
256.07370	3.2
257.08038	3.9
260.11810	1.4
261.09174	1.9
262.09811	2.4
263.10696	5.5
264.07932	1.5
264.11450	5.0
265.08658	2.3
265.12109	1.5
266.09375	1.3
267.06564	2.3
267.10147	1.9
267.13672	2.1
268.11011	1.2
269.08173	6.8
269.11038	1.4
270.08792	3.5
271.06049	3.5
271.09659	5.1
275.10733	1.9
275.14304	1.3
276.11188	1.9
277.08682	4.3
277.12210	3.1
277.15991	2.4
278.09488	2.1
278.13089	2.5
279.10205	6.1
279.13788	5.7
280.10931	3.7
281.08252	1.9
281.11765	2.1
282.08887	1.9
283.06143	2.1
283.09525	2.6
284.06863	2.6
284.09949	1.4
285.07605	16.3
285.10974	1.4
286.08212	1.8
291.10266	6.0
292.10779	6.3
293.08322	2.0
293.11719	4.5
294.12494	5.0
295.09708	3.2
295.13287	7.2
296.06961	1.4
296.10239	2.4
296.13431	1.1
297.07764	6.0
297.10779	1.6
298.08527	2.2
299.05798	1.8
299.09158	9.0
300.09897	25.5
301.10547	4.4
303.17627	1.2
305.11823	2.1
306.09375	1.4
306.12488	7.8
307.09607	5.5
307.13290	12.9
308.10565	4.9
308.13568	1.7
309.11087	3.6
309.14859	5.4
310.12198	1.7
310.15652	5.0
311.09485	2.2
311.12891	3.4
311.16144	1.2
312.09924	10.3
313.07205	1.7
313.10471	5.4
314.07758	3.5
315.08554	1.9
322.11929	6.1
323.09036	2.4
323.12695	17.7
324.13153	2.5
325.10870	2.2
325.14352	4.9
326.11472	4.3
326.14899	2.5
328.13080	2.3
329.10110	8.6
330.10806	2.7
331.11972	4.7
337.10736	1.6
337.14325	29.3
338.11279	1.7
338.15063	19.0
339.12216	7.8
339.15631	2.1
341.17471	12.9
342.17920	1.5
352.12875	1.6
353.13870	20.2
354.14542	5.9
355.11392	1.3
357.13132	2.3
367.15289	3.5
368.16202	100.0
369.16916	64.9
370.17383	7.0
384.15799	3.3
399.18112	49.1
399.23114	3.3
400.18408	5.8
400.23105	1.1
417.19058	1.8
417.23761	8.0
418.24316	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84849	0.7
51.26046	0.8
51.59443	0.8
52.77972	0.7
55.05516	2.9
57.07060	1.2
57.19856	0.8
57.37546	0.9
59.05004	19.7
67.05508	1.7
69.07061	1.4
69.09184	0.9
69.09495	8.0
75.04486	1.8
79.05503	1.8
81.07057	2.2
83.04987	2.2
83.08613	1.5
85.06540	1.1
91.05484	2.1
93.07049	3.4
95.04990	1.1
95.08621	5.1
97.06593	0.9
102.12128	0.8
105.07043	3.5
107.08598	1.7
109.06515	1.3
111.04464	1.8
111.08121	1.1
117.07008	1.9
119.08588	2.9
121.10133	1.1
128.06262	2.0
129.07062	2.3
131.08582	2.5
133.10168	2.4
135.08089	1.0
139.07579	1.3
141.06998	1.1
142.07761	1.5
143.08568	4.3
145.10104	2.4
147.08093	1.1
153.05450	1.0
153.07060	1.5
155.08578	9.4
156.09398	1.4
157.10132	1.9
159.08017	0.9
159.11725	3.2
161.09625	1.7
165.07014	1.2
167.07132	1.5
167.08559	2.0
169.10127	4.8
170.07297	1.0
171.08066	2.0
171.11722	5.1
172.63390	1.0
173.09705	0.9
173.13286	1.5
178.07777	1.9
179.08606	3.9
181.05067	1.0
181.06532	1.7
181.08691	1.6
181.10136	2.3
183.11737	2.7
185.09680	1.4
185.13258	1.1
189.09111	1.6
191.07077	1.5
192.09409	3.0
193.10156	5.5
194.10939	1.2
195.08145	1.7
195.11757	3.2
197.06038	1.2
197.09662	2.2
197.13322	1.6
198.06757	1.5
199.07555	1.7
205.10246	2.0
206.10941	2.1
207.08257	1.3
207.11703	8.4
208.12524	3.3
209.06018	2.2
209.09712	2.4
209.13280	3.3
210.06798	1.9
211.07652	1.6
211.14833	5.8
213.05435	1.5
213.09105	2.3
217.08492	1.3
219.11775	2.2
220.12390	1.5
221.05998	1.6
221.09668	1.8
221.13281	7.5
222.06828	3.2
222.13914	1.6
223.07608	2.7
223.14864	8.7
224.08340	2.9
224.15427	1.6
225.05540	1.7
225.09068	7.1
226.06154	2.2
226.09833	1.5
227.07031	4.4
227.10622	1.4
232.12532	1.3
233.09717	1.2
233.13297	3.1
234.14137	1.4
235.07590	2.8
235.14920	4.3
236.08357	2.5
237.05537	3.8
237.09172	2.7
237.16483	1.1
238.06244	3.3
239.07034	3.1
239.10718	2.3
240.07927	2.8
241.08511	7.4
242.09338	3.3
243.06631	3.9
246.14304	0.9
247.14844	4.4
248.15607	1.4
249.09100	1.2
249.16473	4.1
250.06229	1.4
250.09920	1.8
251.07059	4.3
251.10796	1.8
252.07849	4.3
253.04822	1.6
253.05905	1.4
253.08585	17.5
254.05830	2.5
254.09264	4.6
255.06551	5.2
255.10172	2.7
256.07370	2.1
257.08060	4.3
258.08917	1.4
259.14853	1.7
260.15109	1.0
261.16461	2.9
263.06955	2.5
263.17899	5.7
264.07956	1.2
265.08649	9.9
266.05853	2.6
266.09286	4.7
267.06671	4.5
267.10165	6.7
268.07397	1.9
268.11026	7.4
269.08160	12.6
269.11719	3.1
270.08798	9.2
271.06046	2.1
271.09683	4.9
272.06903	2.0
273.07697	2.1
273.16489	1.6
275.17734	1.4
277.08511	1.2
277.12347	1.4
277.16592	1.8
277.19415	8.1
278.09296	1.2
278.20105	1.7
279.07056	1.2
279.10248	4.2
280.07578	1.9
280.11050	5.3
281.08090	26.2
281.11237	1.5
282.05646	1.6
282.08893	7.5
283.06073	3.1
283.09702	3.8
283.13239	1.6
284.06897	2.4
284.10501	5.6
285.07635	5.5
285.11301	8.9
286.08386	3.7
286.11508	1.9
287.09122	7.2
289.19113	1.4
291.21228	1.2
293.08569	1.6
293.11813	3.4
294.09048	1.4
295.09647	12.1
296.10410	41.2
297.07642	11.8
297.11249	16.6
298.08334	6.5
298.11606	1.8
299.09216	6.3
299.12827	5.3
300.06396	1.3
300.09937	1.9
300.13330	1.7
301.07150	3.7
301.10828	3.1
301.19354	1.0
302.08014	1.3
302.11575	3.0
303.08688	3.2
303.21051	2.1
306.09116	1.2
307.13281	1.8
309.11304	3.0
310.12009	3.0
311.09122	3.4
311.12833	9.8
312.10028	10.3
312.13431	3.2
313.10684	26.2
314.11224	4.9
315.08676	4.2
315.12350	4.4
316.09296	5.2
316.12671	1.1
317.10403	2.0
318.10992	7.8
318.23376	1.3
321.11310	3.9
323.09265	1.6
323.12875	1.8
324.13818	1.3
325.10986	1.3
325.14499	2.9
327.12265	34.2
328.12994	36.9
328.16925	1.8
329.10208	8.0
329.13776	5.6
330.10892	3.6
331.11771	42.7
332.12408	3.2
333.13330	2.9
336.13605	2.9
337.10706	2.1
338.11710	1.5
339.12262	6.1
339.16055	1.4
341.13834	2.2
342.14536	1.6
343.15424	10.5
344.12604	17.9
344.16330	4.4
345.13327	15.8
345.17316	1.2
353.13760	6.2
354.14624	25.6
355.15256	1.4
359.14902	100.0
360.15384	13.1
367.15433	3.5
368.16174	4.6
369.12952	1.2
371.14706	1.3
375.18112	4.2
384.15994	1.2
385.16510	11.5
386.17252	6.3
399.18152	11.2
399.23206	1.9
400.18372	1.5
402.16730	5.2
417.19388	31.2
417.27945	74.4
418.19534	3.1
418.28433	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25850	10.6
67.05504	15.8
69.06908	100.0
83.26022	9.9
95.08583	9.8
98.23405	21.1
103.78461	10.1
105.03407	13.1
109.06525	10.8
109.10180	13.7
124.62116	10.1
130.87167	10.2
181.08662	18.3
183.06505	26.7
189.09129	18.6
204.11520	19.3
209.13225	16.3
221.11707	13.8
229.14343	13.2
235.09647	26.1
235.13272	27.2
239.06902	20.5
241.05005	16.6
241.08589	24.2
243.06622	15.6
255.06445	26.2
256.07056	21.5
257.08063	18.5
269.07895	15.5
269.11740	14.1
271.06042	15.6
271.09454	11.5
280.11389	10.9
284.06604	13.0
285.07529	24.0
291.09909	18.2
296.10263	17.8
297.07773	13.4
297.65247	10.3
299.09027	49.9
300.06464	17.7
300.09790	12.9
301.07147	15.1
301.10513	26.8
303.08652	15.4
307.09717	17.0
309.11179	14.4
309.14880	14.0
311.09109	15.6
312.09940	34.2
313.10452	21.4
314.11523	32.5
315.08527	30.5
315.12051	19.0
316.09247	19.9
317.06433	14.3
321.11240	23.7
322.11914	20.7
323.12708	18.3
325.10590	14.1
326.11441	23.5
327.12064	14.7
329.10245	22.5
330.11005	88.0
331.11603	34.4
337.14325	35.2
338.11115	14.3
338.14917	17.5
339.12021	24.1
343.11722	31.8
347.11255	44.3
353.13904	53.5
357.13315	35.5
367.15857	10.9
368.16257	92.7
369.16867	63.4
385.16342	30.3
386.16934	13.1
399.18030	88.0
417.18845	24.1
417.23303	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	4.6
57.07095	1.5
58.87359	1.2
59.05001	12.4
59.20226	1.2
64.36934	1.1
67.05505	8.2
69.03423	2.2
69.07096	3.9
70.57906	2.6
71.14294	1.1
75.04494	1.8
79.05489	6.6
81.07065	6.5
83.04993	3.9
91.05476	8.6
93.07047	9.2
95.04980	3.8
95.08604	14.6
99.04473	1.3
105.07012	11.5
107.08593	7.4
109.06523	2.4
109.10187	2.8
111.04456	2.6
111.08072	2.7
112.93639	1.3
115.05511	2.7
117.07056	4.1
119.08583	17.1
120.08969	3.6
121.06527	1.9
121.09335	1.6
121.10184	3.1
123.08111	2.5
128.06227	9.3
129.07021	11.2
131.08585	6.9
133.10159	7.9
135.08122	3.4
135.11784	1.6
139.07582	1.3
141.07030	5.7
142.07764	6.5
143.08563	19.6
143.09451	1.6
145.06494	1.5
145.10176	5.3
147.08173	1.7
147.11710	2.3
153.07062	2.6
154.07774	2.4
155.08524	8.1
155.97443	1.1
156.09358	11.9
156.10327	1.2
157.10110	10.6
159.11769	4.5
161.09651	2.1
161.13269	1.3
165.07004	7.0
166.07809	2.9
167.07263	2.3
167.08669	5.6
168.09439	2.6
169.06606	1.8
169.10139	9.8
171.08156	1.6
171.11684	32.3
171.13034	1.8
172.12149	1.8
173.09660	2.2
175.11240	1.4
178.07890	4.2
179.08557	12.1
180.09283	5.9
181.06499	1.9
181.10094	9.5
182.10912	2.8
183.07999	1.7
183.11700	8.0
185.13306	3.3
189.09265	1.6
191.07001	1.8
191.08636	3.9
192.09425	4.9
193.10173	16.4
194.10947	2.8
195.08115	2.6
195.11714	10.9
196.12395	1.7
197.06056	1.9
197.09737	4.4
197.13193	6.2
199.07608	2.0
205.10260	5.7
205.12041	1.3
206.10898	9.6
207.08028	1.5
207.11703	12.9
208.08900	1.7
208.12581	5.0
209.09804	4.2
209.13226	9.8
210.06883	2.9
210.14128	1.3
211.07668	2.3
211.11307	3.2
211.14915	5.1
212.08273	1.4
213.09177	1.7
217.10236	2.3
218.11044	3.6
219.11696	12.1
220.12518	6.8
221.06116	2.3
221.09828	1.8
221.13245	21.3
222.07065	1.2
222.11076	1.2
222.14113	4.0
223.11217	16.5
223.14758	11.8
225.09209	3.9
225.16389	1.8
226.06375	1.6
226.09845	1.6
227.07144	3.7
228.07887	2.2
231.11937	1.7
232.12503	3.6
233.09706	2.7
233.13245	9.9
233.15205	1.1
234.14011	5.6
235.07648	2.2
235.11269	3.0
235.14796	18.7
236.08392	1.9
236.15503	2.4
237.05602	1.6
237.09239	3.9
237.12834	3.3
237.16240	5.9
238.06200	2.5
239.06999	3.2
239.14468	1.2
240.07722	1.6
241.08714	4.8
241.12411	1.3
242.09520	1.9
243.06653	3.1
244.12555	1.9
245.13414	2.5
246.14067	2.3
247.11322	2.3
247.12593	1.3
247.14775	8.9
248.12007	1.7
248.15556	2.6
249.09331	1.9
249.12807	5.4
249.16362	9.5
250.17148	1.5
251.07144	5.4
251.10732	1.4
251.14455	2.5
251.18059	3.1
252.07928	2.4
253.08540	10.4
254.05869	2.8
254.09474	3.6
255.06676	3.5
255.10397	3.5
256.07428	2.1
257.08133	2.0
258.09106	1.7
259.14859	3.1
260.15668	1.4
261.12857	2.4
261.16516	5.5
262.13605	2.9
262.17249	4.2
263.07144	2.0
263.14526	4.8
263.17838	9.2
265.08545	9.3
266.05963	2.5
266.09491	4.3
267.06677	3.8
267.10016	6.3
268.07401	1.5
268.11099	4.0
269.08231	10.7
269.11478	2.9
270.09024	5.4
271.06161	1.5
271.09824	3.7
272.06915	2.7
273.07739	2.8
273.16330	1.8
275.14490	2.3
275.18005	2.2
276.18674	1.8
277.16098	12.0
277.19684	34.1
277.22266	2.4
278.09433	2.8
278.20148	5.7
279.10065	2.9
279.17883	2.6
279.21277	5.4
280.07550	1.8
280.11136	4.9
281.08136	20.9
281.11243	1.9
282.05731	1.7
282.08951	4.6
283.06500	1.7
283.09790	4.2
283.13657	1.4
284.07382	1.8
284.10703	3.4
285.07687	3.9
285.11368	5.3
285.16327	1.9
286.08496	2.2
287.09299	5.3
289.16092	2.7
289.19604	2.9
293.11774	2.4
294.08990	2.6
295.09647	8.4
296.10413	31.6
297.07755	8.5
297.11346	12.1
298.08459	5.4
298.11667	1.6
299.09277	6.2
299.12955	3.9
300.06738	1.4
300.10120	3.3
301.07254	3.4
301.10782	4.7
302.11411	2.7
303.08804	3.9
303.17627	4.5
303.21149	3.0
307.09848	1.4
309.08014	1.8
309.11462	3.5
310.12012	2.1
311.09348	2.9
311.12958	6.8
312.09995	6.9
312.13657	3.3
313.10696	20.5
313.14029	2.5
314.11514	4.3
315.08676	3.3
315.12433	4.7
316.09402	6.2
318.10883	6.5
318.23672	4.1
321.11407	3.9
323.12918	2.0
325.10974	2.0
325.14474	2.6
326.11661	1.6
327.12259	24.3
328.13040	28.7
329.10315	9.3
329.13919	4.4
330.11108	4.0
331.11755	28.5
332.12213	2.6
333.13541	2.2
336.13800	3.4
337.10757	2.2
337.14508	1.7
338.11246	2.2
339.12436	5.4
341.13870	2.1
343.15262	6.4
344.12711	11.9
344.16125	2.4
345.13281	11.3
347.20380	1.6
353.13782	7.0
354.14606	18.3
355.11584	2.0
355.15533	2.0
357.13043	3.7
359.14871	74.1
360.15363	8.2
367.15594	3.3
368.16064	10.9
369.13159	2.4
371.15189	2.0
371.23712	2.5
373.16666	2.1
375.13837	1.6
375.18433	3.5
375.23563	2.2
381.22253	1.8
384.16022	4.0
385.16473	10.6
386.17221	6.2
399.18237	13.7
399.23245	4.7
402.17062	3.1
417.20129	21.2
417.28168	100.0
418.19745	2.3
418.28555	10.0
435.25244	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	10.2
62.26923	6.5
66.26383	6.3
67.05508	13.9
69.26691	39.2
81.07071	19.1
83.04996	12.0
83.08597	8.6
83.26761	5.9
89.48489	5.6
93.07052	16.0
95.08614	10.2
105.03436	10.6
105.07043	11.8
112.61799	6.2
119.08564	11.2
121.06529	6.7
128.06306	7.2
129.07106	8.6
137.06000	14.2
143.08578	14.6
145.10149	6.9
155.08592	12.8
159.11719	7.4
169.09964	7.4
179.08594	8.8
181.08669	14.6
183.06549	13.0
185.05966	7.9
189.09113	17.2
191.68332	5.9
192.41736	8.2
197.13330	9.7
204.09572	7.9
204.11523	18.7
207.11746	8.0
209.13260	22.1
219.11841	6.5
221.11557	8.9
221.13445	9.5
225.05573	8.7
226.06259	7.5
227.07028	7.9
229.53012	8.5
231.06561	8.2
233.09601	7.3
235.09686	20.0
235.13179	15.0
239.07001	8.1
241.08681	9.8
243.06604	7.7
249.09120	7.0
251.10461	7.8
253.04968	8.3
255.06563	14.9
256.07330	13.2
257.04462	9.6
262.09802	9.2
263.10733	12.6
265.08566	13.7
268.07230	11.4
269.08127	9.3
270.05170	7.3
272.06631	15.0
277.08450	7.2
279.10129	13.0
280.11047	10.0
281.08194	7.6
283.05954	8.7
283.09683	9.3
284.06906	9.6
285.07349	15.1
291.10178	11.7
293.11737	11.8
294.09109	8.2
294.12448	7.6
295.13263	14.9
299.09070	41.7
300.06476	13.5
300.09778	14.7
301.07114	11.2
301.10602	11.5
306.12485	11.5
307.13171	13.2
311.09283	8.5
311.12640	8.7
312.09958	26.2
314.11499	27.2
315.08655	24.1
316.09357	17.8
317.06458	14.3
321.11264	15.6
322.12006	12.3
323.12723	22.7
325.10574	12.2
325.14145	13.4
326.11444	22.5
326.14941	7.7
327.12143	15.2
329.10147	16.5
330.11023	58.2
331.11636	12.2
336.13846	8.7
337.14267	43.4
338.15012	14.4
339.12387	10.7
341.17307	16.2
343.11627	17.9
345.13260	17.8
347.11249	27.2
353.13837	40.1
357.13254	23.3
359.14764	7.2
367.15564	9.6
368.16272	74.4
369.16949	61.7
383.24023	7.5
384.15567	12.7
385.16592	14.0
399.18143	66.9
400.18375	9.9
417.18759	15.7
417.23419	100.0
417.28525	24.1
418.24393	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.1
60.42747	1.8
65.03937	3.9
67.05507	11.6
69.03436	3.4
69.07057	4.0
71.04977	2.5
79.05499	7.9
81.03416	4.5
81.07058	12.3
82.04188	2.9
83.04989	21.0
83.08595	2.9
88.42271	1.6
91.05479	7.5
93.07051	7.7
95.04976	5.4
95.08617	11.5
97.02888	2.0
97.06535	3.9
97.10168	1.8
97.56248	1.7
103.05473	2.7
103.86902	1.5
105.07069	8.5
107.04972	3.9
107.08600	6.9
109.02868	2.0
109.06491	4.5
109.10181	3.8
110.03669	4.3
111.04463	9.5
111.08089	2.8
115.05450	3.9
117.07034	4.6
119.08591	5.6
121.06516	2.7
121.10159	5.0
123.04431	3.8
123.08021	2.4
123.11733	2.9
124.05209	10.5
125.05994	6.2
125.09629	1.7
127.04008	1.9
128.06245	2.8
129.06984	4.2
131.08566	4.5
133.06569	1.7
133.10121	4.0
135.08067	3.1
135.11641	3.2
138.03101	4.7
139.07556	19.2
141.06992	2.1
143.08578	5.0
145.06508	3.6
145.10121	4.0
146.07224	1.6
147.08075	3.0
149.09576	3.1
151.03864	2.6
151.07556	6.1
152.04675	3.0
153.05505	1.8
153.07025	3.5
154.06232	5.3
155.08556	39.6
157.06474	2.6
157.10120	4.0
158.78052	1.4
159.11661	2.6
161.09644	15.2
163.07610	1.8
165.05482	15.6
165.06877	3.4
165.09131	5.0
166.02650	2.8
167.07068	24.2
167.08411	3.0
169.08597	4.6
169.10162	4.2
171.06573	9.5
171.07915	2.7
171.11629	2.6
172.08818	1.5
173.06020	6.5
173.09515	1.7
174.06786	7.4
175.07556	3.5
178.07878	3.3
178.09921	1.8
179.08522	6.6
180.09338	3.0
181.04951	100.0
181.08531	8.6
181.10066	2.4
182.05351	2.4
183.11807	2.6
189.07430	2.8
189.09076	17.1
190.07919	1.8
190.09651	3.4
191.07074	4.2
191.08635	3.8
192.09341	9.1
193.08531	2.5
193.10127	14.2
194.09425	4.8
194.10947	2.0
195.06505	31.2
195.08136	2.8
195.10159	4.1
195.11728	5.1
196.06784	2.0
203.08658	3.2
203.10680	3.5
204.09402	2.7
204.11404	2.0
205.10135	6.0
206.10924	6.2
207.10118	2.2
207.11754	15.8
209.08096	5.9
209.11601	8.6
215.08601	4.7
216.09430	2.4
217.08524	4.4
217.10306	3.9
218.11028	3.7
219.11710	6.5
220.12419	2.0
221.11682	18.9
228.09506	2.4
229.10126	10.7
230.10931	9.2
231.11728	6.0
232.12447	3.0
233.08058	2.4
233.13409	4.4
243.11716	5.4
244.12503	10.3
245.13271	18.5
246.13943	3.8
247.10930	1.8
249.11200	20.2
256.12479	2.1
257.13229	3.6
258.14026	3.5
259.14828	15.2
260.15582	12.7
261.16403	3.3
270.14041	4.5
271.14862	5.2
272.15585	3.7
275.17682	1.9
277.15921	4.7
285.16315	9.8
286.16705	1.7
287.09262	3.2
287.17902	2.8
289.19507	4.8
297.11243	1.8
299.17990	3.2
300.18689	12.4
317.13782	14.8
333.13120	2.6
342.14987	2.5
371.18689	1.7
381.24219	2.1
387.14410	2.1
389.15582	3.8
399.18518	4.1
399.23163	58.8
400.23517	5.4
417.14819	3.1
417.19220	18.4
417.24237	67.9
418.24405	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54555	1.9
53.03937	2.4
64.08799	2.0
65.03944	2.8
67.05495	3.6
67.92911	1.9
69.98287	3.6
69.98679	4.7
79.05488	9.0
81.03448	3.0
81.07040	3.9
82.04163	2.3
91.05462	3.7
93.07027	2.2
94.04143	2.2
95.04966	3.4
97.00900	1.8
101.22728	2.0
103.21167	2.1
105.07023	4.8
107.04946	5.5
107.58569	2.1
109.02899	4.2
109.06499	3.9
117.07027	2.6
119.04897	2.8
121.06521	5.3
122.03625	2.6
124.05212	53.4
125.05978	3.7
129.07074	3.2
131.08617	2.2
135.08058	3.0
136.05238	2.3
137.05983	3.4
138.03151	4.5
139.07547	100.0
140.07890	2.8
145.06477	3.2
146.07243	3.6
147.04483	2.9
147.08060	3.1
151.07506	7.1
152.04683	3.9
155.07092	4.1
157.87967	2.0
161.09599	7.1
162.06712	3.3
163.07532	6.5
164.08398	2.5
165.05473	54.3
165.06831	4.7
166.06094	3.6
167.07010	7.4
171.06468	6.5
175.07507	2.6
177.09084	5.8
178.09877	13.0
179.07057	8.2
181.04961	72.2
181.08551	27.9
188.08386	5.6
189.09125	11.1
190.09760	2.3
191.07053	2.1
192.07761	3.9
194.09358	32.1
194.11057	2.5
195.06534	28.7
195.10019	9.6
198.06708	2.4
202.09866	3.1
203.06999	2.5
203.10643	8.9
204.11366	4.6
205.08710	2.9
206.09444	3.9
207.10153	3.0
209.08118	44.8
209.11707	68.2
210.08575	1.9
210.12038	3.7
217.08606	3.5
218.09370	3.1
221.11768	13.1
231.10158	14.9
232.10803	3.0
233.11638	6.4
235.13425	3.9
249.11230	18.4
263.12723	3.6
269.08102	2.7
271.09613	2.9
287.09039	6.1
302.11987	2.1
317.13818	42.1
327.12134	2.5
330.47192	2.4
336.13599	2.5
369.13272	3.2
371.18640	5.4
399.17972	9.2
417.19223	24.1
417.24063	4.0
418.19589	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24261	1.3
53.03951	3.5
55.05497	3.7
56.82248	1.3
59.04746	1.9
59.05006	21.3
67.05490	3.2
69.04286	13.3
69.07094	1.7
79.05494	4.4
80.82131	1.5
81.03416	2.8
81.07055	5.5
83.04989	4.7
84.96231	1.6
91.05470	3.2
92.31657	1.3
93.07036	5.9
95.04977	2.4
95.08598	6.4
99.08120	1.6
105.07014	4.1
107.08604	5.1
109.06514	3.3
109.10194	2.1
117.07001	2.2
119.08583	2.1
121.06528	1.6
121.10128	1.6
122.03663	1.7
123.08016	1.6
124.05228	2.1
125.09633	21.4
129.07027	2.6
131.08568	2.5
133.10129	3.7
139.07509	3.4
143.08533	2.0
145.06451	1.8
145.10110	2.4
152.04671	5.0
152.06082	1.5
153.06946	1.8
155.08551	3.3
157.10133	2.2
159.08072	3.1
159.11737	1.7
161.09590	2.4
165.05466	1.8
167.07043	3.1
167.08363	2.0
171.06610	2.1
171.08054	1.7
171.11707	2.7
173.09552	2.8
181.04967	14.5
181.08578	2.5
182.07248	1.7
183.11714	2.6
185.09636	2.3
185.13281	1.8
189.09163	5.0
195.04666	2.1
195.06514	43.5
195.07887	2.3
195.11620	1.6
196.07031	1.8
197.05916	2.2
198.06761	1.8
207.11671	2.9
209.05943	1.6
209.09683	2.7
209.13350	1.9
210.06749	2.7
211.07454	2.9
214.06033	1.8
215.07079	1.9
221.05966	1.9
221.09712	1.8
221.11670	2.2
223.07509	4.2
223.14697	2.0
224.08318	3.7
225.05450	2.4
225.09126	6.2
226.06154	4.3
226.09778	2.6
227.07031	6.0
227.18089	1.8
228.04054	1.7
228.07698	3.2
235.07556	2.6
235.14842	1.5
236.08250	3.7
237.05519	3.5
237.09116	4.0
237.12755	2.2
238.06186	3.6
239.07086	3.4
239.10718	2.8
240.07858	2.6
241.08641	6.3
242.09303	3.6
243.06512	4.0
249.09023	2.7
249.11317	5.2
251.07011	5.5
251.10674	2.9
252.07803	5.7
253.08594	16.8
254.09204	6.2
255.06439	7.7
255.10101	2.3
257.08051	2.7
263.17932	1.7
264.07880	2.5
265.08609	12.4
265.11279	1.6
266.05890	4.0
266.09363	6.0
267.06522	5.6
267.10104	6.4
268.08188	1.6
268.10941	10.6
269.08121	10.3
269.11688	4.5
269.22772	2.1
270.08875	10.1
271.06235	2.5
271.09610	6.4
272.06760	3.4
273.07593	5.3
277.08664	2.4
277.19333	2.4
278.09415	4.4
279.06598	2.2
279.10187	4.2
280.07407	3.6
280.10934	4.9
281.08142	30.0
281.11346	2.9
282.08810	7.8
283.05994	4.8
283.09604	4.6
283.13062	1.8
284.10330	5.5
285.07672	4.5
285.11243	9.3
286.08389	5.2
287.09119	11.1
291.10184	1.9
292.11102	2.9
293.11670	5.5
294.08951	2.5
295.09628	13.2
296.10391	34.3
297.07553	10.1
297.11166	20.1
298.08249	5.5
298.11646	2.3
299.09103	7.2
299.12802	7.8
300.09851	3.7
300.13196	2.1
301.07083	8.6
301.10669	6.2
302.11426	3.0
303.08524	3.8
309.11081	4.8
310.11932	5.9
311.09247	3.4
311.12723	12.4
312.09891	11.5
312.13425	3.7
313.10712	28.3
314.11276	6.3
315.08597	7.4
315.12216	7.9
316.09366	7.4
317.09985	2.3
318.10986	6.0
321.11179	5.5
325.14352	3.7
327.12262	40.2
327.15906	1.4
328.12988	40.2
329.10117	9.6
329.13748	8.3
330.10812	2.8
331.11758	47.4
332.12354	4.1
333.13284	3.5
335.12781	3.3
336.13574	10.6
337.10556	5.8
338.11530	3.1
339.12222	6.8
339.15912	3.1
340.16388	2.2
341.13815	4.8
342.14594	2.7
343.11798	2.0
343.15466	12.3
344.12567	18.7
344.16354	3.2
345.13333	17.9
352.13052	4.2
353.13824	9.4
354.14667	27.0
355.15088	2.5
357.13031	2.4
357.17035	3.6
358.13776	1.9
359.14890	100.0
360.15564	21.8
367.15350	7.4
368.16348	13.5
369.13336	3.6
370.14029	2.9
375.18021	4.3
384.15628	3.7
385.16409	12.8
386.16989	9.2
399.17999	24.8
400.18109	1.9
402.16760	6.7
417.19232	31.6
417.23718	3.9
417.28580	12.8
417.33411	2.8
418.19354	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.8
54.75599	0.6
55.05521	4.1
65.03916	1.3
67.05502	4.2
69.03413	0.7
69.07050	2.3
69.35735	3.5
69.36079	0.5
77.03939	0.8
78.04709	0.5
79.05495	6.3
79.43587	0.5
81.03398	1.2
81.07050	5.0
83.04980	5.4
83.08627	0.5
88.55070	0.5
91.05483	5.3
93.07048	6.9
94.04202	1.2
95.04964	2.7
95.08041	0.8
95.08610	11.2
96.05766	0.8
97.02888	0.5
103.05505	0.6
105.03429	0.6
105.07030	7.8
107.04925	0.6
107.08600	5.4
107.11036	0.6
108.05719	0.7
109.06499	3.1
109.10146	2.0
111.04430	2.2
111.08075	2.2
113.05977	0.9
115.05446	1.8
117.07027	2.6
119.07770	0.8
119.08584	7.9
121.06498	1.0
121.10162	2.6
122.03646	2.4
123.08059	1.5
123.11665	0.5
123.12554	0.5
124.05164	2.5
125.06009	0.9
128.06203	6.4
129.07019	8.0
131.08574	5.3
133.10126	5.2
135.08047	0.9
135.11650	1.0
137.05975	1.9
138.06772	0.7
139.07552	4.0
141.06969	3.9
141.09114	0.8
142.07802	4.6
143.08563	13.3
144.09271	0.6
145.06505	0.9
145.10123	4.5
147.07973	0.8
147.11696	1.7
151.07538	1.8
152.04668	3.6
153.06981	1.6
154.07774	1.3
155.05998	0.6
155.07066	2.3
155.08542	4.6
156.04158	0.7
156.09334	9.3
157.10138	6.9
158.07213	0.6
158.10500	0.5
159.08032	0.7
159.11670	3.4
161.09673	0.9
161.13258	0.8
165.05478	69.8
166.05820	1.9
166.07799	1.3
167.07137	1.2
167.08566	3.3
168.07727	0.7
168.09283	1.5
169.10114	7.6
170.10838	0.9
171.11690	31.8
172.08780	0.8
172.12123	1.0
173.06000	0.8
173.09634	0.7
173.13303	1.5
174.10403	0.9
175.11037	0.7
178.07727	1.7
179.08528	5.5
180.09344	2.6
181.08597	1.2
181.10104	6.3
182.10818	1.1
183.11713	4.6
184.03665	0.7
185.13228	2.9
188.08342	0.9
190.09937	1.3
191.08565	2.1
192.07861	0.5
192.09259	2.7
193.10152	8.3
193.12070	1.1
194.10938	2.8
195.06528	55.7
195.11630	5.9
196.06927	1.7
196.12425	1.0
197.13284	3.3
199.14818	1.2
202.09906	0.7
203.08679	1.1
203.10690	3.0
204.09335	1.1
204.11214	0.5
205.10155	4.0
205.12201	1.5
206.10928	4.8
207.11687	8.9
208.12448	3.2
209.13229	5.9
210.13885	0.8
211.14816	4.1
217.10074	0.9
218.10950	1.3
219.11691	5.3
220.12506	3.6
221.13275	14.1
222.13892	2.3
223.11327	0.6
223.14886	8.8
224.15555	0.9
225.16423	0.9
231.10130	1.6
232.12482	1.2
233.13383	5.0
234.14018	3.6
235.14807	8.7
236.15498	1.8
237.16371	4.5
238.17018	0.9
239.18031	0.8
240.75433	0.5
243.11702	0.5
244.12704	0.6
245.13181	1.1
246.14078	0.7
247.14790	4.4
248.15582	2.2
249.11208	41.9
249.16406	4.8
250.11610	2.6
250.16852	0.7
251.12755	0.6
251.18010	1.5
259.14853	1.5
260.15536	0.7
261.16434	4.2
262.17081	2.4
263.17917	7.7
264.18546	0.7
273.16287	0.8
275.17999	3.3
276.18530	1.3
277.16077	1.6
277.19498	21.7
278.20184	4.7
279.12280	34.4
279.20966	3.4
280.12628	2.4
287.18094	0.7
288.18777	0.6
289.19522	1.7
290.20099	1.2
291.21088	0.6
301.15735	0.7
301.19348	0.7
303.17746	0.7
303.20871	2.6
305.22583	0.8
317.22522	0.9
318.20181	0.7
318.23206	2.6
335.19827	0.5
353.51999	0.6
361.21555	0.9
371.18674	1.1
371.27664	0.6
399.18033	0.6
399.23004	0.8
417.18912	2.7
417.27908	100.0
418.28247	9.1
440.21814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78899	0.4
53.03916	1.3
55.01850	0.9
55.05487	0.9
57.03424	0.4
60.30363	0.4
62.95074	0.5
65.03934	4.5
67.05507	4.5
68.99747	0.4
69.03401	0.9
69.07024	1.2
69.25045	2.0
71.04976	0.4
78.04688	0.4
78.39928	0.3
79.05494	3.0
81.03394	1.4
81.07059	4.5
82.04202	3.2
83.04936	1.2
83.08588	0.4
85.02923	2.0
85.06534	0.6
87.78011	0.4
91.05477	2.2
92.02576	0.9
93.03398	2.6
93.07046	2.7
95.04982	2.2
95.08619	2.6
96.05717	0.7
97.02847	0.8
97.06542	1.8
99.04439	1.4
99.58236	0.4
103.05415	0.8
105.03374	0.4
105.04443	0.7
105.07043	2.4
107.04908	1.2
107.08596	2.3
109.06519	1.0
109.10139	2.1
110.03675	3.3
111.04426	1.0
111.08025	0.7
115.05448	1.0
116.06254	0.4
117.06995	0.9
119.08567	1.9
120.02067	1.3
121.06436	0.6
121.10168	2.9
122.03612	0.5
123.04391	1.3
123.08086	0.5
123.11684	1.4
124.05199	0.8
125.05975	5.0
127.03885	0.6
128.04753	0.4
128.06186	1.0
129.06998	3.3
131.04947	0.9
131.08548	1.6
133.06476	0.9
133.10101	1.7
135.04404	0.5
135.07996	0.8
135.11690	1.0
137.02319	1.6
137.05931	0.9
137.09619	0.5
138.03108	5.3
139.07507	1.5
141.06911	0.6
142.70018	0.4
143.08556	0.7
145.06468	1.5
145.10097	1.1
146.03581	0.4
146.07243	1.7
147.08018	1.3
147.11649	0.6
148.01492	0.7
148.05156	0.7
149.05968	0.6
149.09619	0.8
149.98679	0.4
151.03874	0.9
151.07527	0.9
151.11060	0.5
152.04700	2.2
153.05405	0.9
154.06244	0.5
155.08601	0.4
157.06482	1.5
157.10069	0.6
158.07199	0.6
159.04405	0.6
159.08049	1.4
159.11629	0.8
160.08807	0.4
161.05966	0.8
161.09598	7.6
161.13211	0.5
162.09952	0.5
163.07541	0.5
163.11232	0.7
164.08276	0.6
165.05540	1.8
165.06696	0.4
165.09158	0.9
166.02618	2.3
167.03235	0.5
167.07048	10.2
167.10680	0.6
169.05045	0.4
169.08650	0.5
170.02083	1.5
171.06558	11.1
171.07985	0.9
171.11682	1.0
172.11813	0.5
173.05960	1.8
173.13272	0.5
174.06769	3.3
175.07516	1.5
177.05452	1.6
177.16399	1.2
180.07727	1.0
181.04956	100.0
181.12181	1.0
182.05327	3.0
183.06422	0.6
184.03642	0.8
187.11270	0.5
188.08415	0.5
189.09099	14.3
190.09724	1.5
191.07051	2.3
192.07813	2.0
193.08542	0.9
195.06522	23.8
195.10159	2.2
195.11682	0.6
196.06950	0.7
197.08029	0.8
201.16360	0.8
203.10652	1.1
204.11432	1.0
205.08580	0.7
206.09404	1.1
207.06479	0.4
207.10123	2.3
216.11346	0.6
217.08577	5.5
219.17438	0.9
221.11720	23.0
222.12022	1.3
231.10101	0.6
232.11020	1.1
234.08899	0.5
235.09683	1.3
235.13371	1.2
237.18507	2.1
247.13304	0.6
249.11205	22.2
250.11543	1.1
263.12878	0.9
276.28638	0.4
303.04837	0.6
313.03339	0.8
313.10605	0.4
321.11377	0.6
336.13678	1.1
355.08377	0.6
358.14377	0.5
367.15332	0.6
368.16254	0.4
376.58441	0.4
387.14505	0.6
399.10922	1.5
399.17944	1.9
417.11133	0.7
417.19296	14.0
417.24429	1.1
418.19647	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.191
Annotation	Pyramidatin D
Peak:m/z	Relative Intensity
53.03956	1.7
53.68839	1.1
54.61473	1.4
55.01891	1.8
55.05503	1.5
59.05003	3.8
59.95015	1.3
65.03937	2.0
67.05510	4.5
69.03425	3.1
69.07074	3.1
69.51517	1.1
71.04996	4.8
71.30283	1.7
75.04484	24.8
75.04887	2.2
77.59282	1.2
79.05499	4.9
81.07062	8.3
83.04980	4.5
85.06546	1.9
90.61349	1.2
90.67116	1.3
91.05498	4.4
93.07062	4.2
95.04974	3.1
95.08614	5.6
97.06528	2.2
99.04520	1.6
99.08092	2.6
100.20824	1.4
101.06029	18.3
105.07044	4.9
107.04951	2.5
107.08604	4.2
109.02911	1.7
109.06551	4.4
109.10168	3.4
111.04462	2.9
111.08067	1.6
115.05505	1.8
115.07594	4.4
117.07007	1.4
119.08604	4.3
121.10178	2.8
123.04442	1.9
123.08112	2.1
127.07557	1.4
129.07042	1.6
131.08589	2.2
133.10124	3.0
135.11722	1.5
137.05984	3.2
137.09650	1.3
138.06891	1.4
139.07558	3.8
141.07092	2.3
143.08588	2.1
145.06520	2.0
145.10182	2.7
147.04443	4.0
147.08028	1.7
148.05196	2.4
151.07544	2.8
155.07072	12.1
155.08467	2.3
157.10104	1.9
159.08127	2.9
161.09686	2.5
163.07576	1.8
167.07088	11.1
167.08432	2.0
169.08759	1.5
169.10159	1.6
171.11720	1.9
173.05948	2.4
173.09657	2.5
175.11217	1.5
178.07878	1.8
179.08617	2.4
180.09308	1.6
181.04964	21.5
181.06441	1.9
181.10149	2.7
183.08105	2.3
185.05966	2.9
185.09689	1.7
186.06769	1.9
187.07576	1.8
187.11214	1.6
189.09166	4.9
191.07036	41.9
191.08679	2.6
192.07430	2.0
192.09496	1.6
193.10228	2.5
195.06538	8.8
195.09995	1.3
195.11690	2.2
197.06023	1.8
199.07571	5.5
199.11198	1.7
200.08424	1.9
201.05380	1.5
201.09155	2.1
202.09924	4.4
203.10515	1.5
205.04926	2.0
205.08620	1.9
207.06541	2.2
207.11708	1.6
208.08859	1.9
209.09630	1.4
209.13361	1.6
211.07628	2.7
212.08443	1.4
213.05563	1.9
213.09140	4.8
214.09840	7.0
215.07082	4.5
215.10703	2.0
216.07892	2.0
216.11467	2.6
217.08630	2.8
217.12187	1.7
218.09290	1.5
221.09836	2.4
221.11679	2.8
223.07585	2.6
224.08244	1.7
225.09200	2.4
226.09944	2.7
227.06949	3.0
227.10532	2.4
228.11479	5.3
229.08583	5.6
230.05681	1.4
231.06578	2.8
231.10085	1.7
231.13782	1.5
233.09714	2.8
235.07623	2.1
237.09198	3.0
237.12857	2.3
238.09917	1.7
239.10652	2.2
241.08649	4.6
242.09406	1.9
243.06444	1.5
243.10176	3.1
244.07324	1.8
245.08084	2.8
245.11661	10.6
249.09088	3.2
249.11449	1.6
251.07104	2.5
251.10620	3.1
252.11392	1.7
253.08636	3.4
254.09288	1.8
255.06622	1.9
255.10272	4.7
256.07407	2.8
256.10843	1.4
257.08200	3.0
257.11771	2.3
258.08899	1.7
259.09531	6.2
259.13287	23.1
261.09088	2.9
261.16666	1.4
263.07321	1.5
263.10648	4.1
265.08640	2.4
265.12363	5.6
266.09427	3.5
266.12833	1.5
267.06610	1.8
267.10095	4.4
268.07355	2.4
268.10876	2.0
269.08267	1.6
269.11777	4.7
270.08780	2.1
271.06229	1.4
271.09561	2.9
276.11554	2.1
277.08621	4.0
277.12277	1.8
278.09622	2.0
279.06860	2.0
279.10184	5.7
280.10699	2.1
281.08221	3.1
281.11877	4.3
282.08951	1.8
283.10114	2.4
283.13330	9.2
285.07648	1.9
285.11380	1.6
286.07941	1.4
287.09259	4.9
287.12875	7.4
291.10019	1.8
292.11081	4.7
293.11667	8.3
294.12427	2.5
295.09665	3.6
295.13171	2.0
296.10284	2.8
297.11371	4.2
297.14981	5.9
298.11838	2.4
299.09198	3.0
299.12778	3.7
303.08856	2.3
307.13196	14.4
308.14081	8.5
309.11316	5.7
310.11902	3.1
311.09106	3.5
311.12589	2.0
313.10678	3.2
314.11011	1.8
315.08643	5.2
315.12360	2.4
319.11740	1.5
324.13660	3.9
325.10876	2.3
325.14365	6.8
327.08630	1.7
327.12244	1.9
329.10251	3.6
329.13849	2.0
339.15894	41.3
340.16431	4.5
357.13275	4.5
357.17029	36.2
358.17346	2.9
359.15115	2.1
367.15482	2.2
368.16214	2.1
371.18512	21.9
371.22855	2.4
372.18967	2.7
373.25510	2.0
385.16507	2.6
389.19623	7.1
399.18073	4.2
417.19165	100.0
417.24216	8.6
418.19458	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05458	4.0
57.03392	0.9
57.07041	0.9
57.07302	0.5
67.05505	5.5
69.07076	3.5
71.04938	1.4
75.04414	1.7
79.05504	4.2
81.07057	11.0
83.04910	1.3
83.08614	2.9
85.06551	6.1
87.08057	1.1
90.35592	0.6
91.05486	4.6
93.07040	7.5
95.04926	0.7
95.08609	11.1
97.06462	1.3
97.10136	0.7
98.23447	1.2
98.98466	5.4
99.08043	0.5
105.07040	5.0
107.08595	9.2
109.06464	0.7
109.10159	5.7
111.04420	0.7
111.08036	1.4
117.06965	1.2
119.08586	6.6
121.09312	0.5
121.10126	5.9
123.07998	0.8
123.11658	2.5
129.06964	0.9
131.08514	1.9
133.10139	3.6
135.07991	0.8
135.11697	2.3
139.07471	0.9
141.06906	0.5
142.07721	1.0
143.08493	1.8
145.10045	2.1
147.11713	2.4
149.09573	0.7
149.13228	3.0
151.07387	0.5
151.14737	0.6
153.06885	0.5
155.01060	6.8
155.08446	0.9
157.06516	0.6
157.10036	2.2
159.11647	1.7
161.09569	0.6
161.13231	2.8
163.11093	1.1
163.14764	1.8
166.07733	0.5
167.06990	1.3
167.08473	0.8
167.10603	0.6
169.10054	1.6
171.11626	2.0
173.13225	1.1
175.07446	0.5
175.11111	0.6
175.14735	1.8
179.08453	0.9
181.06488	0.6
181.08620	0.8
181.10083	0.8
181.12090	0.7
182.07275	0.9
183.08003	0.6
183.11612	1.3
185.13214	0.8
187.07585	0.9
189.09029	1.1
189.16365	1.3
193.10066	1.1
193.15869	1.0
194.10796	1.0
195.08049	0.9
195.11641	1.9
196.05061	0.9
197.05864	1.8
197.13242	1.1
198.06714	1.3
199.07515	1.5
199.14861	0.8
200.08221	0.6
201.09052	0.6
205.10172	1.0
205.11984	0.6
206.10901	1.3
207.11667	1.5
208.08713	0.6
208.12486	0.8
209.09587	0.6
209.13193	1.8
209.15125	0.6
210.06747	1.1
211.07570	2.5
211.14783	1.2
212.08235	2.5
213.05537	1.1
213.09096	3.5
215.06985	2.9
216.07545	0.5
217.08415	0.6
219.11841	0.6
220.12463	0.6
221.11415	0.9
221.13231	2.2
223.14766	2.8
224.08459	0.7
225.05406	1.2
225.08983	1.9
226.06126	1.8
226.09804	0.8
227.07021	8.1
228.07817	2.5
229.08484	2.1
230.09209	0.7
233.13295	1.1
234.14009	0.6
235.14903	0.9
235.16852	1.1
237.09033	0.8
237.16377	1.1
238.19810	0.6
239.07076	2.6
240.07739	3.3
241.04898	0.8
241.08574	10.5
242.09363	24.0
243.06538	6.6
243.09975	3.5
244.07152	1.0
245.11646	1.3
245.22575	1.6
247.14909	0.9
248.15581	0.6
249.16347	1.3
249.18604	0.9
252.07796	0.9
253.04803	0.8
253.08589	1.6
253.12267	0.7
254.09340	1.4
255.06531	3.9
255.10086	4.7
256.07269	2.1
256.10764	2.4
257.08075	8.5
257.11035	0.9
257.11508	0.8
258.08850	9.7
259.05960	1.2
259.09488	1.2
259.61636	0.6
261.16293	0.8
263.10571	0.9
263.17892	1.1
263.23703	2.7
265.08658	0.7
265.12299	1.2
266.09271	0.7
267.06458	1.5
267.09998	1.1
268.07187	2.1
269.08066	2.8
269.11688	1.4
270.08850	10.4
271.06006	4.1
271.09586	7.4
272.06924	0.6
272.10358	2.6
273.07855	1.1
273.11212	7.9
274.08411	0.9
274.11545	0.9
277.08554	0.7
277.19623	3.2
278.19910	0.6
279.10107	0.6
279.13757	1.0
279.20935	0.6
280.14383	0.9
281.08157	0.7
281.11649	1.1
282.08762	1.7
282.11813	0.6
283.09576	2.7
283.12747	0.8
284.06961	0.6
284.10315	1.7
285.07703	3.9
285.11188	37.6
286.08331	6.7
286.11774	4.9
287.09097	2.7
287.12607	1.4
288.09885	1.3
288.12997	0.6
289.10715	2.4
292.10703	0.6
293.11581	0.9
295.13196	1.1
296.10583	0.7
296.14081	1.4
297.11130	1.5
298.08707	0.8
298.11987	2.2
299.09097	3.3
299.12714	2.1
300.09869	4.2
300.13522	2.1
301.10690	59.9
302.07904	1.0
302.11108	5.7
308.14053	1.4
309.11127	1.1
310.11859	0.9
311.16385	1.3
312.13568	1.2
313.10751	1.6
313.14188	1.5
314.11447	2.2
315.08588	1.8
315.12155	11.1
315.54230	0.6
316.13040	100.0
317.10126	8.2
317.13507	7.2
320.12341	1.4
323.12735	1.5
324.13522	1.2
324.17065	0.6
325.10730	0.9
325.14279	0.9
327.12180	1.2
327.16052	1.6
329.13895	1.8
330.14523	1.8
331.11725	3.9
332.12433	6.2
334.13956	1.1
335.14862	1.9
339.15948	2.3
340.12927	0.8
340.16641	1.7
341.13831	1.3
342.14297	0.5
343.15427	1.1
344.16058	0.8
345.13266	4.2
346.13992	1.4
347.14896	41.2
348.15161	2.9
354.18127	1.1
355.15411	4.9
355.19128	0.8
356.16165	2.2
370.18222	2.3
371.18524	3.8
386.20850	12.8
387.17545	2.5
388.18179	0.6
399.32526	1.2
402.20364	30.8
403.20737	3.0
417.22742	97.7
417.27853	11.8
418.23120	10.8
418.28128	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.05267	1.4
55.05514	14.3
57.03437	7.5
57.07078	7.8
57.81633	0.9
65.03951	1.3
67.05505	51.8
68.05827	1.3
68.50880	0.9
69.07069	12.9
69.21998	5.8
69.22403	2.4
71.04993	1.4
71.08631	1.9
79.05489	19.8
81.03447	2.5
81.07056	68.1
82.07396	1.3
83.04977	1.4
83.08617	10.3
85.06503	1.1
86.32159	1.1
91.05482	16.3
93.07037	19.9
95.08606	59.2
96.08929	1.5
97.06551	5.2
97.07066	1.0
97.10166	4.6
98.22649	2.1
98.98465	98.1
99.08094	2.9
105.07033	10.5
107.08598	12.4
108.08902	1.0
109.06507	1.9
109.10155	30.7
111.08091	3.4
111.11715	1.7
113.09644	1.2
117.07032	1.3
119.08571	9.4
121.10141	14.5
123.08044	1.3
123.11685	12.7
125.09647	2.0
127.11185	1.2
133.10109	10.4
135.11691	7.8
137.09612	2.0
137.13257	7.7
140.66510	1.2
145.10114	1.7
147.11693	7.6
149.13260	8.6
151.14795	8.5
155.01035	100.0
161.13268	4.8
163.14847	5.2
165.12723	1.1
165.16389	4.3
175.14819	6.2
177.16441	1.8
179.17995	1.5
187.99704	0.9
189.16393	3.6
195.29503	1.1
203.17935	1.9
204.45490	1.0
245.22644	22.9
246.23064	2.3
263.23703	47.6
264.23987	3.1
280.49127	1.0
301.10730	1.4
347.14716	1.1
386.20096	1.3
401.19476	1.8
401.63379	1.0
417.22238	2.0
417.27454	4.0
417.32132	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
55.05511	5.7
67.05507	5.6
69.03447	0.6
69.62907	1.1
69.63300	0.8
70.37772	0.5
71.04979	1.6
75.11071	0.5
76.85201	0.4
79.05488	2.1
81.07066	3.8
83.04986	21.9
91.05495	3.2
93.07048	3.1
94.42876	0.4
95.03714	0.4
95.04976	2.1
95.08611	4.8
97.02842	0.5
97.06526	0.4
98.22617	0.5
105.07036	3.4
107.08585	2.0
109.06513	1.8
109.10143	0.6
111.04447	12.9
111.08080	1.7
115.05402	0.6
117.07026	1.3
119.08591	2.2
121.06495	0.9
121.10119	1.2
123.08076	0.7
128.06218	1.1
129.07001	1.9
131.08585	2.3
133.10135	1.4
135.08009	0.6
141.06996	1.6
142.07768	0.5
143.08551	1.6
144.09390	0.5
145.10112	1.6
147.11696	0.9
153.07002	4.1
153.86385	0.5
154.07732	2.0
155.08560	50.4
155.49277	0.5
156.08907	2.3
157.10088	1.2
158.10699	0.5
159.11694	1.4
161.09633	0.9
165.06999	3.5
166.07718	0.9
167.07072	1.1
167.08554	1.1
169.10135	2.6
171.11809	0.5
175.11162	0.7
178.07791	4.7
179.08565	6.9
180.09367	4.1
181.04933	0.5
181.10081	2.0
183.11743	0.5
187.11234	0.5
189.07060	0.6
190.07680	0.5
191.08498	3.4
192.09344	10.7
193.10121	16.0
194.10837	3.6
195.11703	7.1
197.13289	0.5
202.07791	1.8
203.08618	4.7
204.09381	3.0
205.10136	7.5
205.11955	1.0
206.10869	5.4
207.11691	22.5
208.12271	2.6
209.13344	0.7
210.10318	0.9
215.08563	6.7
216.09312	3.8
217.10133	5.0
218.10924	5.1
219.11693	8.9
220.12303	2.2
221.13217	3.6
222.13924	0.9
228.09323	1.7
229.10136	14.2
229.12395	0.9
230.10887	13.0
231.11661	7.0
232.12392	2.6
233.13283	8.4
234.13731	0.6
235.11163	0.6
235.14734	1.8
241.10133	0.8
242.10913	3.1
243.11700	10.9
244.12491	17.6
245.13248	18.3
246.13870	3.1
247.11255	1.1
247.14752	1.7
249.16406	1.4
255.11649	3.0
256.12463	3.5
257.13223	7.7
258.14059	6.4
259.14828	18.5
260.15576	18.4
261.16281	5.0
262.13510	1.7
262.16797	0.9
263.14346	2.6
267.11737	0.5
268.12427	0.8
269.13287	1.6
270.14053	5.3
271.14752	7.0
272.15518	3.0
273.16333	3.1
274.17053	1.3
277.15875	7.2
278.16309	1.1
282.13922	0.7
283.14780	1.4
284.15497	1.7
285.16391	14.3
286.16898	1.8
287.17880	3.6
288.18579	1.0
289.19455	6.2
294.14008	0.7
296.15524	0.7
297.16440	0.7
298.17004	0.7
299.17783	2.2
300.18732	18.2
301.19199	3.2
302.20145	0.6
303.17178	0.7
384.20724	0.7
399.23193	80.3
400.23578	10.2
417.24191	100.0
418.24594	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.05509	4.5
57.03436	0.5
61.70291	0.5
65.03923	1.0
67.05506	7.7
67.63635	0.5
68.40533	0.5
69.03414	1.5
69.07088	3.1
71.04967	0.5
79.05495	3.0
81.07060	6.3
81.08625	0.5
81.26588	0.5
83.04980	3.1
83.08604	1.0
91.05486	4.1
93.07048	9.0
94.30013	0.5
95.05000	3.1
95.08606	16.9
96.08941	0.5
97.06521	1.2
103.05445	0.5
105.07022	6.4
107.08594	4.8
109.06534	2.7
109.10162	4.4
111.04425	1.7
111.08084	2.4
115.05429	1.3
117.06989	1.6
119.08576	7.7
120.08845	0.5
121.06493	1.8
121.10143	3.1
123.08071	5.4
123.11633	0.9
125.09624	0.8
128.06219	4.3
129.07040	4.2
131.08578	2.4
133.10117	3.5
135.08051	1.9
135.11667	1.4
137.05963	0.8
137.09627	0.7
139.07547	1.1
141.06969	5.1
141.09100	1.3
142.07732	2.2
143.08569	9.5
145.10138	2.9
147.08044	1.7
147.11691	2.1
149.09622	0.9
152.06186	0.8
153.06973	2.3
154.07774	3.6
155.08549	5.9
156.09352	3.4
157.06493	2.3
157.10133	5.0
159.11678	2.2
161.09608	2.1
161.13260	1.6
163.11186	2.1
165.06992	7.9
166.07736	2.4
167.08563	6.0
168.09331	1.1
169.10120	6.6
170.10667	0.9
171.08195	1.0
171.11694	9.7
173.09607	0.8
173.13225	2.1
175.11200	1.1
175.14798	0.7
178.07707	2.5
179.08565	5.9
180.09343	7.2
181.06528	1.2
181.10123	7.6
182.07230	2.0
182.10646	0.9
183.08046	4.8
183.11707	3.4
185.09590	1.7
185.13234	1.0
187.11143	0.9
187.14687	0.6
189.12720	1.6
190.07750	1.2
191.08540	2.2
192.09315	2.9
193.10126	11.5
194.10907	2.4
195.08118	2.6
195.11697	8.7
196.08755	1.0
196.12283	1.3
197.09615	23.0
197.13264	2.5
198.09912	1.3
199.11118	1.1
199.14755	0.7
201.12729	0.6
202.07715	0.6
203.08588	1.9
204.09219	1.1
205.10136	4.9
206.10886	4.4
207.08009	2.2
207.11693	10.8
208.08859	8.3
208.12335	3.1
209.09613	4.9
209.13200	3.9
211.11232	6.0
211.14771	3.6
215.08554	1.1
216.09392	1.7
217.10085	2.7
218.10928	2.9
219.08076	1.6
219.11682	5.1
220.08797	0.9
220.12415	3.7
221.09698	1.1
221.13339	9.3
222.10382	1.0
222.13887	1.1
223.11168	100.0
223.14786	5.4
224.11507	6.7
224.15381	0.6
225.12625	1.0
225.16222	0.9
228.09229	0.6
229.10106	1.9
230.10806	2.3
231.11685	4.2
232.12413	2.5
233.09688	4.5
233.13220	6.7
234.10361	5.9
234.13974	2.6
235.11220	3.8
235.14799	10.1
236.15280	1.7
237.12779	3.3
237.16330	2.5
239.14232	1.0
243.11652	1.3
244.12422	1.9
245.09744	1.1
245.13193	3.8
246.10295	1.1
246.13950	1.2
247.11180	5.3
247.14798	5.5
248.11925	5.6
248.15387	1.5
249.12743	25.8
249.16406	4.8
250.13083	2.1
251.11362	0.5
251.14319	1.6
256.12671	0.6
257.13217	1.2
258.13687	1.2
259.14841	5.7
260.11920	2.6
260.15482	1.2
261.12784	5.3
261.16357	4.9
262.13492	5.5
262.16827	1.0
263.14291	15.3
263.17838	4.1
264.14624	1.3
264.17776	0.5
270.13837	0.6
271.14673	1.2
273.12711	1.9
273.16284	2.0
274.13452	1.4
274.17349	0.6
275.14276	6.4
275.17862	2.6
276.15033	3.1
276.18256	0.9
277.12485	1.3
277.15845	19.2
277.19446	10.3
278.16266	1.6
278.19977	1.4
279.17441	1.5
279.21045	1.9
281.13190	0.6
285.16388	3.0
286.16812	0.6
287.14368	1.1
287.17657	1.2
288.15213	1.3
289.15869	3.0
289.19458	1.4
291.17554	0.8
291.20932	0.5
296.35117	0.5
297.16492	0.7
299.17911	1.2
300.18811	0.9
301.15826	1.2
301.19366	0.9
303.17389	7.5
303.20972	1.6
304.17822	1.1
305.19046	0.7
315.17429	1.0
317.18912	1.5
317.22418	0.6
318.19763	1.1
318.23206	1.2
325.19104	1.0
329.18643	0.7
341.18961	1.0
342.19760	0.6
343.20386	1.0
343.24045	1.1
353.22644	1.0
357.18192	0.7
357.22040	0.7
371.19910	0.8
371.23758	6.2
372.24142	0.7
375.23151	1.0
381.22269	4.9
389.24704	1.0
399.23267	15.3
400.23468	1.5
400.35361	0.5
417.24008	28.8
417.27930	28.5
418.23676	4.4
418.28607	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01884	0.8
55.05516	6.5
65.17334	0.7
67.05503	7.0
69.03427	1.8
69.07063	1.6
69.17049	0.8
69.17603	5.4
71.04998	2.5
79.05488	3.4
81.07072	5.1
83.04980	27.1
91.05479	5.5
93.07059	5.6
95.04974	3.3
95.08612	7.4
97.02898	1.8
99.04439	1.0
105.07026	4.9
107.08588	3.2
109.02892	0.8
109.06547	2.1
109.10173	2.0
111.04449	16.0
111.08089	1.3
113.06026	1.5
115.05471	1.6
117.07027	2.6
119.08569	3.9
121.06510	1.3
121.10154	0.9
123.08118	2.0
128.06219	2.4
129.07019	4.2
131.08548	2.4
133.10130	1.6
135.08124	0.9
137.06024	0.9
141.06984	2.2
142.07742	0.9
143.08606	2.8
145.06500	0.7
145.10132	3.1
147.11707	1.0
151.07584	0.9
153.06967	5.8
154.07767	1.9
155.08554	54.6
156.09038	2.8
157.06499	4.6
157.10175	2.6
159.08086	1.1
159.11703	2.0
161.09683	1.2
165.06972	3.8
166.07870	0.9
167.08621	2.8
169.10165	3.5
171.08080	0.7
171.11734	1.2
173.09680	0.7
178.07796	5.6
179.08527	7.3
180.09315	3.4
181.10114	3.0
187.11168	1.3
189.07060	1.0
190.07813	1.0
191.08585	3.6
191.10599	1.2
192.09361	14.3
193.10112	18.6
194.10829	4.7
195.08029	1.7
195.11687	8.2
197.09602	1.1
197.13309	0.8
198.29472	0.7
202.07765	2.4
203.08635	4.3
204.09299	4.8
205.10168	9.6
205.12102	1.1
206.10916	8.6
207.11684	21.3
208.12288	2.2
209.09668	0.9
209.13255	1.6
215.08566	8.0
216.09291	6.6
217.10101	7.8
218.10863	5.4
219.11717	10.5
220.12488	2.6
221.09712	1.0
221.13344	3.6
222.13963	0.9
223.11200	0.8
223.14735	1.0
228.09390	2.4
229.10109	18.6
230.10892	14.1
231.11681	12.1
231.13780	1.3
232.12440	4.2
233.09732	1.3
233.13232	8.8
234.13821	1.4
235.11197	1.4
235.14859	2.8
239.08688	1.0
241.10101	1.2
242.10950	2.6
243.11679	11.6
244.12454	18.3
245.09651	0.9
245.13271	24.2
246.10617	1.5
246.13823	4.6
247.11176	1.9
247.14757	4.5
248.11786	1.0
249.12816	1.1
249.16333	1.3
254.10939	1.1
255.11754	2.7
256.12463	4.8
257.13251	7.6
258.14066	7.4
259.11859	1.2
259.14819	23.3
260.15567	21.0
261.12842	1.9
261.16315	6.5
262.13596	2.3
262.16730	1.1
263.14301	3.3
267.11548	1.3
269.13379	2.2
270.14011	5.3
271.14813	6.1
272.15610	4.8
273.12946	0.7
273.16263	3.7
274.13770	1.0
274.16937	1.5
275.14441	1.0
275.18024	1.3
277.15915	7.7
281.13297	1.6
282.14120	1.1
283.14774	1.6
284.15659	1.0
285.16360	14.5
286.17059	1.9
287.14429	0.9
287.18051	3.9
288.18680	1.1
289.16052	2.6
289.19595	7.2
290.20145	1.8
299.14420	0.7
299.18051	2.7
300.18719	18.5
301.19357	2.6
302.16797	0.9
303.17429	1.3
303.79855	0.7
311.18079	1.0
384.21036	1.3
399.23203	81.8
400.23529	9.5
417.24326	100.0
418.24771	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.25308	10.5
66.32453	11.0
67.05495	20.1
69.03418	25.4
69.07057	46.3
69.13882	100.0
73.05391	11.2
77.50379	11.7
79.05482	32.4
81.07058	77.9
85.02882	24.5
91.05479	20.0
93.07050	51.2
95.04985	16.7
95.08618	46.9
98.22643	22.7
105.07018	39.8
107.08595	37.3
109.10160	26.3
111.11742	23.5
117.07000	19.8
119.08558	28.7
121.10179	29.6
123.04397	20.3
123.11682	14.6
131.08540	14.5
133.10144	34.3
135.11647	13.6
143.08632	14.0
145.10115	14.9
147.11610	19.7
149.13353	17.5
151.07547	13.6
163.07660	14.3
167.07071	82.8
167.14307	15.9
173.05920	14.0
173.13184	11.4
181.04951	30.7
185.63696	11.3
191.06999	19.8
201.16365	34.8
219.17390	28.0
237.18538	21.0
279.88336	11.5
301.03668	11.6
304.20023	12.8
367.26019	14.2
387.14301	17.7
399.10678	16.1
417.11047	13.7
417.16083	19.9
417.20987	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03139	4.3
55.05514	5.4
67.05512	8.3
69.03439	9.4
69.07065	7.8
69.88065	7.6
69.88437	8.1
79.05488	23.3
81.07069	48.3
84.08161	8.0
85.02943	9.7
85.11456	4.7
86.09701	50.2
91.05480	30.0
92.63985	3.5
93.07042	34.2
95.04999	8.6
95.08607	20.3
97.06583	4.1
98.23340	6.0
100.11153	4.3
103.05487	6.5
105.07034	28.3
107.04939	7.5
107.08596	27.0
109.06532	22.4
109.10145	7.7
111.04473	6.0
117.07021	7.1
119.08595	16.2
121.10166	14.3
131.08574	17.9
133.10170	14.4
135.11696	13.5
136.07608	9.7
137.05986	39.7
141.07013	4.7
143.08607	5.1
145.06552	6.7
145.10117	36.9
147.08009	5.6
147.11604	5.3
151.03833	5.4
153.07100	4.8
159.08076	5.1
159.11723	21.7
161.13347	7.8
167.07054	28.6
167.08322	5.2
171.42398	4.6
179.08556	5.2
181.04916	23.3
181.10152	5.3
189.16379	12.1
191.07072	10.9
191.08607	5.8
195.08133	6.4
199.18033	10.4
201.16397	96.0
202.16614	6.9
205.10165	5.7
207.11789	4.8
208.08676	4.9
211.07581	11.0
213.09077	5.7
214.52950	4.4
215.08661	6.2
219.08054	6.5
219.17377	29.2
220.08865	5.3
221.09720	8.4
224.36685	4.8
233.09720	6.9
237.09102	19.2
237.18510	29.9
251.10680	10.1
252.11412	6.7
258.10434	4.8
261.09210	4.3
261.12805	6.7
262.09787	12.7
262.13486	3.9
263.10742	4.3
263.14328	5.0
267.06680	5.8
273.09140	6.5
273.12619	8.6
276.11255	6.9
277.12375	4.8
279.10147	10.5
280.10925	19.3
287.10504	5.5
289.12259	9.6
290.12735	5.0
291.13785	7.3
297.07565	7.8
300.11490	4.9
301.12225	16.8
307.13513	7.0
311.05685	6.9
319.13171	14.3
329.10373	4.9
349.21280	4.3
357.09763	23.7
360.15442	8.1
371.16168	10.3
389.17480	6.9
399.15723	22.8
417.16489	100.0
418.17090	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48160	7.1
55.05508	11.4
58.01167	7.7
67.05501	13.0
69.03413	10.0
69.07065	12.3
70.53181	9.7
70.53517	16.2
71.05003	19.6
72.90984	7.4
79.05492	26.9
79.85057	8.7
81.07050	32.7
83.04996	9.2
83.08624	8.2
91.05469	26.0
93.07053	32.4
95.04966	10.4
95.08599	24.3
97.06530	8.8
99.08072	11.3
105.07028	53.6
107.04974	17.5
107.08582	26.0
109.06495	12.7
109.10155	12.6
110.84268	7.9
117.07087	10.9
119.08578	15.4
121.02888	10.0
121.10150	16.9
123.04443	8.8
125.09597	17.1
127.03860	7.3
128.06265	7.5
131.08563	8.2
133.10158	62.8
135.11676	8.0
143.10683	13.4
145.06532	9.7
145.10080	11.1
147.11696	15.5
149.13243	14.6
151.11154	11.2
152.32310	8.6
159.11687	15.9
161.13206	10.4
163.07497	9.6
164.96837	7.5
167.07050	100.0
167.14331	26.8
173.06044	32.0
181.04927	47.5
191.07045	17.9
219.17464	27.9
222.63391	8.1
237.18491	9.5
286.04721	15.1
287.05460	14.6
381.62787	8.0
387.14276	18.4
399.10699	16.4
417.10931	11.9
417.15506	26.6
417.20670	19.8
417.27368	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.2
53.94608	4.7
55.05513	8.8
55.70235	4.9
57.03438	6.3
67.05500	11.1
69.03426	20.6
69.07074	9.3
71.03732	5.5
71.05002	8.6
71.30656	6.2
71.31017	7.0
77.94667	5.0
79.05476	16.7
81.07047	21.0
85.02901	13.4
91.05490	13.9
93.07037	15.3
95.05003	10.5
95.08620	20.2
97.06490	6.2
103.05452	18.2
105.07030	23.1
107.04954	22.1
107.08569	10.3
110.03653	6.2
115.05440	8.0
117.07030	10.5
118.04187	7.4
119.08591	7.2
120.71446	4.8
121.10137	10.0
123.04407	8.9
123.11733	7.1
125.09650	7.3
125.13213	4.7
131.04930	13.9
131.08568	10.7
133.06529	6.0
133.10158	15.6
135.11702	5.2
137.06017	5.4
143.10764	5.9
145.06474	10.2
145.10109	5.4
147.08078	5.6
147.11743	11.8
148.05225	7.0
151.03943	7.2
159.11723	5.3
163.07541	18.3
165.01831	4.9
167.07050	100.0
173.05971	14.1
173.13199	4.9
181.04965	94.3
181.06473	9.0
182.05313	6.5
191.07014	49.9
219.17488	12.4
233.08104	11.0
235.09572	7.8
281.32257	6.8
289.09012	15.4
297.07602	9.4
328.50894	5.6
344.12711	12.7
387.14246	8.4
394.97812	4.8
398.68829	5.0
399.10690	13.3
417.15350	16.9
417.20746	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2485
Annotation	Atractyloside G
Peak:m/z	Relative Intensity
53.03950	3.8
55.01873	3.0
55.05508	3.5
57.03442	2.5
65.03945	6.6
67.05508	9.3
69.03439	5.1
69.07081	4.2
69.36340	13.5
71.04985	9.7
77.33154	1.6
78.04697	4.4
78.88682	1.8
79.05485	12.4
81.07055	19.4
83.04996	2.3
84.94052	2.3
85.02908	5.3
91.05495	10.6
93.07035	16.2
95.04969	7.6
95.08600	11.1
97.02869	2.3
97.06527	4.6
98.22536	3.1
103.05466	15.0
105.03378	2.6
105.07018	16.0
106.04176	3.0
107.04958	6.4
107.08578	8.7
109.06506	5.4
109.10149	6.4
110.03654	2.3
111.04431	2.0
111.08071	5.1
113.05982	1.6
115.05453	7.4
117.07040	9.3
117.61510	1.7
118.04163	4.2
119.04919	2.0
119.06017	1.7
119.08582	13.5
121.06474	2.5
121.10145	7.0
123.04442	12.3
123.08061	6.7
123.11748	2.8
124.05206	2.7
125.05990	3.3
127.11190	2.1
129.07025	3.1
131.04939	15.0
131.08560	4.9
133.10117	13.5
135.04445	2.7
135.08058	3.7
135.11687	3.8
137.02226	1.8
137.05925	6.3
137.09666	2.5
139.07520	1.7
142.02638	2.2
143.08578	2.2
144.05640	1.6
145.06502	10.9
145.10124	8.1
147.07933	2.8
147.11699	4.1
148.05209	8.5
149.13335	1.7
151.03940	3.0
151.11215	3.7
152.04681	2.9
155.05994	2.6
155.08595	1.9
157.10165	4.5
159.09167	2.8
159.11696	4.1
160.07626	3.9
161.05901	1.8
161.09660	4.5
161.13206	2.0
162.13615	1.8
163.07530	17.0
163.11203	2.3
165.09108	3.6
165.52248	1.8
167.07039	100.0
168.07376	5.1
171.06476	2.1
171.11703	2.9
173.05991	16.7
173.13261	2.7
175.14861	2.6
181.04958	63.8
182.05350	2.0
191.07030	53.3
192.07419	4.4
193.12273	1.8
195.06592	2.1
199.36969	2.2
201.16350	2.4
203.07118	2.5
205.08597	4.5
207.10074	2.7
219.17448	6.2
225.11073	2.6
233.08063	7.5
235.09573	3.5
247.17032	2.4
251.00493	2.0
263.09256	2.3
285.12061	1.8
339.16766	2.1
387.14230	11.9
399.10532	3.6
417.15756	13.3
417.24301	7.0
417.29001	2.7
418.16040	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.279
Annotation	Machillene
Peak:m/z	Relative Intensity
53.03943	0.7
55.01881	0.4
55.05511	3.1
61.17090	0.3
65.03929	0.4
67.05505	3.8
69.03434	0.5
69.07062	0.8
69.22765	0.3
69.23174	0.3
69.71958	1.6
73.46563	0.4
77.03953	0.4
79.05501	2.5
81.07068	3.0
83.04982	5.0
83.08637	0.7
91.05474	3.7
93.07044	4.7
95.04974	0.9
95.08607	6.3
95.81320	0.3
96.08877	0.5
97.06527	0.5
99.04474	0.3
105.07034	4.8
105.20258	0.3
105.54533	0.3
107.08591	3.8
109.06535	0.5
109.10145	2.2
111.04461	3.4
111.08108	1.9
113.06012	0.4
115.05455	0.8
117.07038	1.9
119.08575	4.4
120.08959	0.3
121.06531	0.8
121.10165	1.6
123.08097	1.3
128.06288	1.8
129.06181	0.5
129.06992	2.7
130.07800	0.4
131.08569	3.7
133.10135	3.0
135.08061	0.5
135.11700	1.1
137.09547	0.4
139.07561	1.0
141.07019	1.3
142.07784	1.7
143.08582	5.2
144.09265	0.6
145.10144	2.9
147.08032	0.6
147.11638	1.7
149.09679	0.3
153.07043	1.4
154.07739	0.8
155.08559	20.9
156.09288	2.2
157.10168	3.8
158.10876	0.7
159.08026	0.5
159.11707	2.8
161.09648	0.7
161.13341	0.6
165.07040	1.3
166.07770	0.9
167.08591	1.7
168.09300	0.7
169.10141	4.5
170.10796	0.6
171.08073	0.7
171.11711	4.8
173.05957	0.4
173.09680	0.9
173.13272	2.1
175.11230	0.8
178.07840	1.1
179.08543	2.6
180.09335	1.1
181.10126	3.2
182.10884	1.0
183.08093	0.5
183.11703	3.2
185.09677	0.8
185.13240	2.2
187.11330	0.5
189.12692	0.4
191.08566	1.6
192.09341	2.2
193.10124	6.0
193.11752	0.5
194.10788	1.8
195.11673	3.4
196.12534	1.6
197.13304	2.2
199.14935	1.3
203.08492	0.4
204.09409	0.7
205.10158	2.4
205.11966	0.4
206.10907	3.1
207.11702	8.7
208.12477	4.5
209.09619	0.8
209.13239	4.0
210.13870	1.0
211.07356	0.4
211.11555	0.4
211.14825	10.2
212.15324	1.0
213.16434	0.6
217.10126	0.9
218.10876	1.2
219.11687	3.6
220.12457	2.2
221.09801	0.6
221.13260	8.7
222.13988	1.2
223.07541	1.0
223.11226	1.0
223.14813	11.5
223.16890	0.7
224.15399	1.5
225.12773	0.5
225.16353	1.7
229.10107	0.4
231.11681	1.5
231.13750	0.5
232.12474	1.2
233.13214	3.7
233.15062	0.4
234.14001	2.1
235.11163	1.2
235.14827	4.7
236.11754	0.5
236.15369	0.7
237.12819	0.6
237.16396	1.9
244.12405	0.4
245.13339	1.0
246.14079	1.6
247.11119	0.4
247.14798	3.6
248.15558	1.5
249.12733	0.8
249.16389	3.4
250.16902	0.9
251.18057	1.6
258.14044	0.5
259.11472	0.4
259.14722	1.8
260.15521	1.0
261.12714	0.6
261.16415	3.4
262.13730	0.6
262.17163	1.9
263.14563	0.7
263.17935	5.5
264.18396	1.1
272.15744	0.5
273.16315	1.2
274.17163	0.6
275.14978	0.3
275.17926	2.1
276.18671	1.0
277.12430	0.8
277.15936	1.4
277.19562	6.4
278.20074	1.8
279.21024	0.8
285.16583	0.4
287.14822	0.4
287.17914	0.7
288.18738	0.5
289.16434	0.5
289.19312	1.8
290.20129	0.8
291.21136	1.1
295.16788	0.7
301.19571	0.4
303.13840	0.8
303.17572	0.7
303.20993	3.7
304.21851	0.4
305.22519	1.1
315.21222	0.4
317.22629	1.0
318.16089	0.5
318.23456	3.3
319.24066	0.9
361.21713	1.2
375.23453	0.4
399.27023	1.1
417.27908	100.0
418.28271	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.05514	2.8
63.65674	0.2
65.03922	0.6
67.05505	4.3
69.03432	0.4
69.07076	2.3
69.07376	0.3
69.07775	2.0
71.04982	0.3
79.05492	4.1
81.07062	4.5
83.04987	3.0
83.08614	0.3
85.45007	0.3
91.05480	6.4
93.07047	7.1
94.07372	0.3
95.04943	0.9
95.08608	11.0
96.08920	0.3
97.06538	0.3
99.04408	0.4
103.05434	0.6
105.07034	10.1
106.07356	0.4
107.08595	5.4
109.06490	0.9
109.10134	2.4
111.04451	1.8
111.08079	1.8
113.05989	0.5
115.05418	2.1
117.07024	2.8
119.08583	8.3
120.08938	0.3
121.06498	0.7
121.10134	2.8
122.57050	0.3
123.08089	1.3
127.05392	0.4
128.06218	7.8
129.07010	9.2
130.07758	1.1
131.08568	5.4
133.10138	6.7
133.11154	0.4
135.08044	1.1
135.11674	1.5
137.05991	0.6
139.07524	0.9
141.06992	4.9
141.09079	0.8
142.07790	5.2
143.08565	17.9
144.09100	0.6
145.06474	0.5
145.10124	5.0
146.10867	0.5
147.08029	1.0
147.11693	2.1
152.06192	0.3
153.06999	1.6
154.07776	1.5
155.06004	0.6
155.08557	6.9
156.09344	11.3
157.10141	8.6
158.10898	0.6
159.08009	0.4
159.11703	3.8
160.12421	0.3
161.09625	1.0
161.13257	0.6
165.05598	0.3
165.06987	3.7
166.07787	1.7
167.08549	4.4
168.09302	1.5
169.10138	8.6
170.10783	1.2
171.11691	37.3
172.12112	1.9
173.09601	0.3
173.13298	1.9
175.11177	0.4
178.07785	2.1
179.08556	7.4
180.09346	3.2
181.10133	6.8
182.10901	2.0
183.11707	5.7
184.12303	0.6
185.09613	0.3
185.13287	3.6
187.11270	0.4
187.14871	0.6
189.12816	0.4
190.07677	0.3
191.08553	2.6
192.09320	4.4
193.10129	11.2
194.10852	3.7
195.11697	7.6
196.12384	1.9
197.13283	4.1
198.13896	0.5
199.14755	1.5
202.07932	0.4
203.08588	0.6
204.09357	1.2
205.10133	4.8
206.10907	5.4
207.11682	10.2
208.12436	4.0
209.09676	0.3
209.13266	6.1
210.13890	1.0
211.11189	0.5
211.14833	5.3
212.15436	0.3
213.16466	0.5
217.10095	0.8
218.10922	1.5
219.11708	7.0
219.13771	0.3
220.12431	4.3
221.09737	0.5
221.13260	16.9
222.13834	2.3
223.11304	0.6
223.14815	9.5
224.15463	1.1
225.16353	1.0
231.11673	1.4
232.12408	1.5
233.13239	6.0
234.13971	3.8
235.11128	0.6
235.14810	11.9
236.15456	2.4
237.12631	0.4
237.16373	4.0
238.16982	0.9
239.14198	0.3
239.17914	0.8
244.12465	0.5
245.13182	1.0
245.15472	0.4
246.14015	1.3
247.14798	6.1
247.17119	0.4
248.11833	0.3
248.15591	2.9
249.12675	0.6
249.16386	5.5
250.16963	1.4
251.17941	1.8
257.13312	0.4
259.14737	1.3
260.15506	0.8
261.13425	0.4
261.16382	4.6
262.17151	3.3
263.14694	0.5
263.17935	6.9
264.18372	1.5
265.19327	0.4
273.16327	0.9
274.17090	0.6
275.14670	0.6
275.17957	2.4
276.15771	0.3
276.18655	1.8
277.16101	1.2
277.19501	26.8
278.20126	5.6
279.17859	0.5
279.21030	4.0
280.18109	0.3
280.21835	0.4
283.17023	0.3
287.18030	0.3
289.19479	1.5
290.20178	0.6
291.20959	0.4
295.17035	0.3
301.16122	0.3
301.19489	0.5
303.17346	0.9
303.21066	3.1
304.21490	0.5
305.22534	0.8
316.21716	0.3
317.22638	0.9
318.23401	2.3
319.24020	0.3
327.12442	0.4
329.22678	0.4
333.18643	0.4
335.20041	0.4
343.24289	0.3
347.11426	0.4
349.21695	0.3
357.13229	0.3
361.21494	0.9
371.23648	0.4
373.16574	0.4
375.22681	0.4
381.21976	0.4
389.24817	0.3
399.18164	0.3
399.22787	0.6
399.27261	0.4
402.25516	0.5
417.27899	100.0
418.28247	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71693	0.4
53.03957	0.9
55.05513	4.0
65.03952	0.7
67.05507	6.8
67.05836	0.6
69.03432	1.2
69.07084	2.2
71.29882	0.9
79.05486	5.3
81.07060	6.6
81.07513	0.5
83.04982	5.0
83.08642	1.8
84.74388	0.5
85.06531	0.6
91.05477	8.5
91.05997	0.6
92.05824	0.5
93.07039	10.2
93.07605	0.7
95.04977	2.2
95.08609	14.9
97.02988	0.4
97.06564	1.0
103.05477	0.7
105.04559	0.5
105.07028	12.1
107.08590	6.8
109.06565	1.5
109.10157	3.0
111.04436	2.4
111.08087	4.0
113.06051	1.0
115.05482	1.6
116.06325	0.5
117.06998	3.0
119.08582	16.3
120.08912	5.0
121.06557	1.5
121.09287	1.3
121.10197	4.6
123.08093	2.9
123.11787	0.7
124.12138	0.5
125.05995	0.6
125.09584	0.5
128.06218	7.2
128.07085	0.6
128.65442	0.5
129.07010	9.1
129.07889	0.8
130.07832	1.3
131.08574	6.7
133.10123	6.5
135.08073	3.8
135.11763	1.7
137.06024	0.9
139.07616	2.2
141.06981	5.2
141.09166	0.6
141.44461	0.5
142.07787	6.2
142.08765	0.6
143.08569	15.8
144.09322	0.8
145.10123	5.4
147.08093	1.5
147.11687	2.8
149.09634	0.6
152.06271	0.5
153.06944	2.3
154.07817	1.7
155.08548	12.1
156.09354	10.8
157.06561	0.6
157.10130	9.3
158.10864	1.4
159.08133	0.6
159.11693	5.0
159.12852	0.6
161.09654	3.2
161.13326	1.2
163.11247	1.1
165.07013	5.3
166.07820	2.0
167.08557	4.7
168.09389	1.6
169.10133	10.4
169.11464	0.7
170.10869	1.8
171.08171	1.3
171.11693	31.0
172.12207	2.0
173.09650	1.2
173.13251	3.0
175.11293	1.6
178.07774	2.8
179.08562	8.8
180.09312	4.3
181.10118	7.7
182.10944	1.9
183.08189	0.9
183.11697	6.9
184.12370	1.1
185.13298	3.7
187.11261	0.9
189.12799	1.3
190.07687	0.5
191.08615	3.5
192.09323	4.9
193.10123	12.1
194.10883	3.7
195.08151	1.1
195.11685	9.8
195.13277	0.8
196.08830	0.7
196.12434	2.2
197.09648	2.9
197.13246	4.5
198.13864	0.8
199.11324	0.8
199.14932	1.7
203.08664	1.3
204.09386	1.1
205.10146	5.5
206.10904	7.2
207.11688	13.7
207.13609	0.9
208.08876	1.1
208.12428	5.6
209.09689	2.3
209.13245	7.8
210.14095	0.8
211.11211	2.6
211.14804	8.1
212.15454	0.6
213.12749	0.6
215.14421	0.6
216.09561	0.9
217.10226	1.5
218.11041	2.4
219.11693	7.8
219.13615	0.6
220.12445	5.8
221.09770	1.5
221.13263	18.0
222.10431	0.7
222.13840	3.7
223.11230	12.2
223.14799	13.6
224.11690	1.1
224.15550	2.1
225.12773	1.3
225.16383	1.3
229.10178	0.8
230.10951	0.9
231.11716	2.7
232.12561	2.1
233.09731	1.7
233.13239	7.3
234.10423	1.2
234.13911	3.7
235.11176	1.6
235.12321	0.7
235.14801	15.3
235.17114	0.8
236.15334	2.9
237.12817	2.8
237.16347	5.5
238.16962	0.9
239.14389	1.6
239.18031	0.8
243.11662	0.8
244.12509	1.6
245.13145	2.6
246.14145	2.0
247.11340	2.2
247.14824	7.5
248.12036	0.8
248.15483	2.9
249.12753	4.6
249.16389	7.9
250.17062	1.1
251.14450	1.4
251.18019	2.0
257.13257	1.1
257.15659	0.7
259.14795	2.5
260.12271	0.5
260.15726	1.5
261.12891	1.8
261.16498	6.5
262.13608	1.7
262.17200	3.8
263.14465	3.8
263.18082	7.9
263.20346	0.6
264.18546	1.0
273.12869	0.9
273.16449	1.3
274.13541	0.6
274.17209	0.8
275.14505	2.0
275.18100	3.9
276.15765	0.5
276.18515	2.4
277.12851	0.9
277.16061	8.6
277.19666	24.7
278.16647	1.1
278.20279	5.2
279.17621	1.4
279.21201	3.9
285.16473	1.2
287.14664	0.5
287.17975	1.1
288.18790	0.7
289.16113	1.0
289.19577	1.4
290.20361	0.8
291.21344	0.9
300.18509	0.5
301.16251	0.7
301.19583	0.8
303.17535	2.9
303.21170	3.9
304.18317	0.8
304.21872	1.0
305.19235	1.1
305.22632	1.0
315.21155	0.6
316.21838	0.6
317.22745	1.0
318.19949	0.9
318.23596	2.8
329.22806	0.7
347.20081	0.7
357.22318	0.6
361.21774	1.3
371.23703	2.3
375.23468	1.2
381.22397	2.0
389.24814	0.8
399.23050	4.1
400.23547	0.6
417.28101	100.0
418.28552	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2787
Annotation	Machillene
Peak:m/z	Relative Intensity
52.14559	0.4
55.05506	2.7
67.05499	2.2
67.58376	0.4
69.07069	3.0
69.57352	2.3
70.46639	0.4
71.62392	0.4
73.69461	0.3
76.22601	0.3
79.05499	2.1
81.07053	1.8
83.04982	5.8
83.08612	0.4
91.05471	3.2
93.07041	4.2
94.33818	0.4
95.08603	6.2
98.22845	0.8
102.83668	0.4
105.07031	3.3
107.08599	4.1
109.06557	0.5
109.10160	1.9
111.04429	2.7
111.08084	1.3
115.05400	0.5
117.07033	1.2
119.08577	6.2
121.10136	1.9
122.99557	0.4
123.11660	0.5
128.06250	1.3
129.07021	2.4
130.07915	0.3
131.08585	2.9
133.10114	2.8
135.11684	0.8
141.06966	0.9
142.07787	1.4
143.08545	3.5
145.10117	3.0
147.11662	1.9
153.05522	0.5
153.06966	0.8
154.07782	0.8
155.08548	11.7
156.09334	2.6
157.10127	5.0
159.11711	2.6
161.09680	0.5
161.13229	0.7
165.07011	0.9
167.08591	1.2
168.09315	1.0
169.10121	4.6
170.10876	0.7
171.11684	4.9
172.12292	0.5
173.09665	0.4
173.13203	2.4
175.11128	0.8
179.08569	2.7
180.09377	0.9
181.10135	3.6
182.10875	1.3
183.11713	3.5
184.12100	0.4
185.13268	1.7
187.14842	0.6
189.12788	0.5
191.08566	0.6
192.09317	1.4
193.10124	4.8
194.10927	1.2
195.11693	3.5
196.12444	1.6
197.13268	2.7
199.14845	1.7
205.10109	1.4
206.10886	2.7
207.11697	5.6
208.12471	4.4
209.13234	5.4
210.13927	0.9
211.14806	8.5
212.15282	0.6
218.10898	0.6
219.11740	1.6
220.12396	1.3
221.13246	6.2
222.13994	1.1
223.14819	9.7
223.16907	0.7
224.15488	2.6
225.16354	1.6
231.11734	0.7
232.12482	1.1
233.13264	2.6
234.13937	1.0
235.14767	2.5
236.15381	0.5
237.16335	1.8
238.17001	0.6
245.13126	0.7
246.13966	0.6
247.14787	2.5
248.15714	1.3
249.16368	3.1
251.18004	1.7
259.14819	0.6
261.16400	2.2
262.17163	1.5
263.17905	3.6
268.68427	0.5
273.16516	0.6
274.17032	0.6
275.17947	2.0
276.18665	1.3
277.19525	5.4
278.20132	1.7
279.17883	0.4
279.20880	1.1
288.18774	0.5
289.19525	1.6
290.20056	0.5
291.21036	4.1
292.21576	0.4
301.19824	0.5
303.21024	4.8
304.21628	0.7
305.22592	1.4
306.23560	0.5
317.22614	0.9
318.23419	5.5
319.23853	0.9
402.25552	0.5
417.27859	100.0
418.28210	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2786
Annotation	Machillene
Peak:m/z	Relative Intensity
50.99659	0.2
53.03933	0.3
55.05511	1.4
57.03429	0.2
57.07060	0.2
59.30597	0.2
67.05506	2.7
69.03441	0.2
69.07079	1.1
69.24235	1.4
73.47793	0.2
75.50587	0.2
77.49046	0.2
79.05489	1.9
81.07060	2.5
83.04990	1.3
83.08625	0.4
85.06522	0.3
91.05482	2.0
93.07049	3.0
94.07298	0.2
95.04972	0.7
95.08604	5.8
97.06503	0.3
97.10149	0.2
98.98425	0.2
99.04472	0.2
103.05457	0.3
105.07025	3.6
107.08588	2.7
109.06500	0.4
109.10152	1.4
111.04450	0.9
111.08049	0.9
113.05956	0.2
115.05441	0.4
117.07024	0.9
119.08576	2.8
120.08842	0.2
121.06482	0.3
121.10146	1.5
123.08084	0.9
123.11702	0.5
125.05924	0.2
125.09607	0.2
128.06216	0.8
129.07008	1.8
131.08554	1.8
133.10127	2.3
135.07977	0.4
135.11682	0.6
137.09686	0.2
139.07510	0.5
141.06990	1.2
142.07800	1.4
143.08575	3.0
144.09322	0.5
145.06461	0.3
145.10114	2.2
146.10495	0.2
147.08084	0.4
147.11700	0.9
149.13306	0.2
153.06970	0.7
154.07755	0.5
155.08553	6.3
155.09821	0.3
156.09338	2.0
157.10126	3.8
158.10773	0.2
159.11697	1.9
160.12137	0.2
161.09621	0.8
161.13217	0.4
163.11185	0.3
165.06985	1.5
166.07764	0.5
167.08556	1.8
168.09319	0.8
169.10120	5.7
170.10646	0.4
171.08115	0.3
171.11679	4.4
172.12399	0.8
173.13243	0.6
175.11250	0.3
178.07773	0.9
179.08554	3.2
180.09305	1.2
181.10112	3.6
182.10812	0.7
183.11682	2.3
184.12456	0.2
185.13222	1.2
187.14798	0.4
189.12721	0.3
191.08492	1.3
192.09306	2.0
193.10123	6.8
194.10869	2.1
195.11681	3.9
195.13509	0.2
196.12440	0.6
197.13232	1.8
198.13820	0.2
199.14816	0.8
204.09203	0.4
205.10115	2.2
206.10881	3.6
207.11685	12.2
208.12434	5.1
209.09502	0.3
209.13208	4.8
210.13943	1.1
211.14812	5.1
217.10201	0.4
218.10933	0.7
219.11670	2.7
220.12428	2.3
221.13248	12.0
222.13933	2.2
223.14798	12.1
224.15334	1.6
225.16238	0.9
230.10802	0.2
231.11696	0.6
232.12439	0.7
233.09654	0.2
233.13249	2.5
234.13977	1.7
235.11200	0.3
235.14804	5.4
236.15430	1.0
237.12793	0.3
237.16367	2.5
238.16907	0.5
239.17848	0.3
245.13229	0.7
246.14038	0.5
247.14787	3.2
248.15573	1.5
249.12582	0.4
249.16367	4.2
250.16972	0.7
251.17947	0.7
257.13336	0.2
259.14874	0.6
260.15652	0.3
261.13397	0.3
261.16373	3.0
262.17114	1.7
263.17929	10.2
264.18527	1.1
265.15753	0.2
265.19299	0.2
271.14716	0.2
272.15665	0.2
273.16342	0.6
274.16989	0.2
275.14676	0.3
275.17941	1.6
276.18793	1.1
277.16080	0.7
277.19492	9.9
278.20145	2.7
279.18066	0.3
279.21036	1.5
285.16241	0.3
287.17935	0.5
288.18692	0.4
289.19547	0.7
290.20206	0.3
295.16998	0.2
301.19608	0.2
303.17761	0.4
303.21060	2.7
304.21454	0.4
305.22589	0.5
315.21017	0.4
317.22653	0.6
318.23346	1.5
331.10944	0.2
333.18448	0.2
335.23779	0.2
356.35358	0.2
361.21536	0.5
364.66339	0.2
375.23035	0.5
386.17123	0.3
387.17825	0.2
387.23004	0.5
399.18372	0.7
399.26834	0.5
402.12927	0.3
402.25467	0.4
403.37900	0.2
417.27844	100.0
418.28201	13.3
418.38696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
54.58521	0.5
55.01880	0.9
55.05510	4.9
57.07076	1.8
58.62881	0.4
64.58292	0.4
65.03939	0.8
67.05508	5.7
67.48697	0.4
69.03445	0.7
69.07061	2.5
76.45301	0.5
79.05502	3.2
81.07063	4.7
83.04984	9.6
83.08628	2.1
85.81554	0.4
91.05482	7.1
92.05881	0.4
93.07043	8.5
93.82072	0.4
94.07422	0.5
95.04998	2.2
95.08618	11.2
95.09230	0.9
96.08982	0.5
97.02947	0.5
97.06549	0.9
98.22565	1.1
99.04513	0.6
103.05502	0.6
105.07032	8.5
105.07672	0.6
107.08590	6.6
109.06537	1.5
109.10146	3.2
111.04449	4.2
111.08099	3.2
113.06025	0.8
115.05447	1.1
117.07014	2.2
119.08578	7.8
121.06520	1.4
121.10136	3.5
123.08068	2.1
123.11714	1.2
128.06235	2.3
129.07040	3.2
130.07828	0.8
131.08588	7.2
131.09499	0.6
133.10133	5.6
135.08102	1.6
135.11720	1.7
137.06044	0.6
137.09686	0.6
139.07585	1.5
141.07011	2.5
142.07755	3.8
143.08583	6.5
144.09309	0.8
145.10146	6.1
147.08076	1.6
147.11685	3.2
149.09634	0.6
153.07034	1.3
154.07793	1.6
155.08566	8.4
156.09360	5.2
157.10153	8.8
158.10876	1.6
159.08057	1.6
159.11700	5.4
161.07840	0.5
161.09659	1.5
161.13324	1.6
163.11250	0.9
165.07114	1.7
166.07834	1.2
167.08542	2.8
168.09357	2.0
169.10124	10.6
170.10928	2.7
171.08073	1.0
171.11690	9.1
172.08929	0.6
172.12178	0.6
173.09641	3.4
173.13277	6.1
174.10368	0.6
175.11266	1.4
178.07930	0.8
179.08565	3.7
180.09361	1.8
181.10150	5.0
182.10907	2.5
183.11685	8.2
184.12335	0.6
185.09665	0.7
185.13286	7.1
187.11253	1.5
187.14847	1.2
189.12836	0.7
191.08627	1.3
191.10594	0.6
192.09344	3.1
193.10126	8.3
194.10860	2.4
195.08098	0.7
195.11673	4.9
196.12463	2.5
197.09706	0.9
197.13257	4.4
199.11220	1.1
199.14844	2.7
201.12714	2.6
203.08687	0.8
204.09406	1.4
205.10167	3.3
206.10924	5.2
207.11693	8.7
207.13647	0.6
208.08888	0.6
208.12402	4.1
209.09694	0.9
209.13271	6.5
210.10484	0.6
210.13960	1.5
211.11296	1.4
211.14815	8.3
211.31284	0.4
213.12994	0.8
213.16359	1.3
215.14404	1.7
217.10233	1.7
218.10889	2.1
219.11702	4.9
219.13722	0.6
220.12430	4.9
221.13284	10.4
221.15323	0.7
222.13963	2.0
223.11322	3.9
223.14809	10.9
224.15382	1.6
225.12895	1.3
225.16371	3.1
227.14369	1.0
229.10188	0.5
230.10982	0.9
231.11659	3.3
232.12389	2.9
233.13239	7.2
233.15347	0.7
234.13983	3.0
235.11169	0.8
235.14798	9.0
236.15625	1.5
237.16370	3.6
239.14473	0.8
243.11836	0.7
244.12578	0.9
245.13287	2.5
246.13988	2.5
247.11276	0.9
247.14824	7.3
247.17159	0.7
248.12062	0.6
248.15602	2.7
249.12843	1.3
249.16368	6.2
250.16966	1.5
251.14345	1.0
251.17949	2.5
256.12695	0.7
257.13339	1.4
258.13937	0.6
259.14618	2.6
260.12158	0.6
260.15744	1.9
261.12811	0.6
261.13348	0.7
261.16412	6.1
261.19019	0.6
262.17154	3.0
263.14502	1.8
263.18066	7.6
264.18677	0.8
265.16068	0.5
265.19669	0.6
271.14841	0.8
272.15570	0.6
273.12869	0.7
273.16409	1.4
274.14124	0.5
274.17160	1.5
275.14676	0.9
275.18036	4.3
276.18719	2.3
277.16031	2.6
277.19632	8.9
278.17050	0.9
278.20319	3.3
279.17551	1.2
279.21097	1.7
285.16541	1.4
287.14651	0.6
287.18069	1.3
288.18790	1.1
289.16330	0.9
289.19611	2.6
290.20334	1.2
291.20959	2.2
295.17120	0.7
299.18265	0.5
301.19791	1.2
302.16489	0.6
303.17496	1.5
303.21173	6.9
304.21738	1.2
305.19122	1.1
305.22708	2.6
306.23251	1.0
307.16962	0.6
307.20566	0.5
315.21191	0.7
317.22797	1.5
318.19931	0.6
318.23318	6.1
319.20551	0.8
319.24173	1.1
343.20645	0.9
343.24286	1.0
347.20218	0.7
357.22195	0.9
361.21692	1.9
371.23523	0.7
371.27716	1.0
375.23257	1.0
389.24768	0.8
399.23218	1.9
399.27148	1.5
402.26096	0.6
417.28070	100.0
418.28470	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2787
Annotation	Machillene
Peak:m/z	Relative Intensity
53.03943	0.6
55.05502	1.7
59.25550	0.3
59.85585	0.4
64.20810	0.4
67.05508	3.1
69.07071	3.3
69.23066	2.3
69.23491	0.8
70.70908	0.4
74.73000	0.3
78.41442	0.4
79.05491	1.8
80.14619	0.3
81.07051	2.7
83.05001	1.9
90.39727	0.4
91.05489	3.1
93.07045	4.1
95.04967	0.9
95.08607	8.6
98.23419	0.4
105.07034	4.2
106.47974	0.4
107.08582	3.1
109.10138	1.9
111.04443	1.1
111.08106	0.7
113.05976	0.5
115.05463	0.6
117.07026	1.2
119.08583	5.5
121.06535	0.5
121.10150	1.9
123.08066	1.0
123.11705	0.8
128.06218	1.6
129.06973	1.9
130.07794	0.5
131.08548	2.4
133.10164	2.6
135.08038	0.5
135.11754	0.5
139.07516	0.4
141.06990	2.0
142.07793	1.9
143.08543	4.0
145.10092	2.6
147.08067	0.4
147.11667	1.6
153.06996	1.2
154.07776	1.3
155.08556	11.2
155.09828	0.6
156.09348	4.3
157.10127	4.6
159.11710	1.9
161.13240	0.6
165.06990	1.2
166.07755	0.9
167.08534	2.7
168.09334	1.3
169.10118	10.2
170.10614	0.6
171.11690	8.5
173.13280	0.9
178.07809	0.9
179.08603	2.5
180.09358	1.8
181.10139	4.2
182.10829	1.1
183.11713	3.9
185.13277	1.4
191.08623	0.8
192.09348	1.5
193.10126	6.4
194.10832	1.6
195.11694	3.8
196.12463	1.3
197.13316	2.4
205.10091	2.1
206.10921	4.1
207.11699	7.5
208.12469	4.4
209.13213	3.9
210.13994	0.8
211.14816	10.9
212.15176	1.2
213.16403	0.5
219.11623	2.0
220.12476	2.2
221.13239	9.5
221.15303	0.6
222.13811	2.4
223.14804	8.5
224.15469	1.2
225.16228	0.5
231.11671	0.6
232.12439	0.6
233.13199	2.4
234.14038	0.8
235.14740	3.7
236.15562	0.5
237.16403	1.9
238.17090	0.8
239.17970	0.6
246.14008	0.7
247.14806	3.1
248.15575	1.3
249.16402	3.3
250.17053	0.5
260.81424	0.4
261.16422	2.0
262.17105	1.7
263.17947	6.4
264.18399	0.8
275.17896	1.3
276.18790	1.1
277.19534	12.0
278.20203	2.4
279.21158	2.3
289.19519	0.6
303.21057	2.3
317.22641	0.9
318.23389	1.5
323.20038	0.5
377.07968	0.5
417.27856	100.0
418.28217	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2788
Annotation	Machillene
Peak:m/z	Relative Intensity
55.05502	1.3
63.32393	0.5
65.45313	0.4
67.05496	1.6
69.07053	0.4
71.31647	0.6
79.05486	0.7
81.07055	1.7
83.04982	2.5
86.05027	0.4
91.05474	1.4
93.07050	1.8
95.04933	0.4
95.08620	3.6
105.07045	2.3
107.08585	2.4
109.10173	0.9
111.04434	1.5
111.08068	0.9
117.06996	1.0
119.08587	2.6
121.10135	0.7
123.08063	0.6
128.06245	0.7
129.07001	1.2
131.08553	1.9
133.10117	1.3
135.58093	0.4
136.70969	0.4
141.07008	1.1
143.08560	1.9
144.09106	0.3
145.10101	1.2
147.08084	0.4
147.11684	0.8
150.06702	0.4
151.07539	2.3
152.07875	1.1
153.06998	1.4
154.07805	0.5
155.08551	41.4
156.08910	2.0
157.10136	2.0
159.11710	1.6
161.09613	0.5
165.07014	0.5
167.08536	0.8
168.09335	0.5
169.10184	2.2
171.11708	1.1
173.13275	1.9
179.08542	1.2
181.10120	2.1
182.10825	0.5
183.11729	1.0
185.13290	1.0
191.08696	0.5
191.10661	0.6
192.09311	0.7
193.10123	2.7
194.10944	0.5
195.11705	1.8
196.12422	1.3
197.13246	0.9
199.14932	0.9
204.69930	0.4
205.10095	1.1
206.10866	1.5
207.11682	4.4
208.12492	3.6
209.13194	3.5
210.13992	0.7
211.14806	20.8
212.15205	1.5
218.10704	0.4
219.11699	1.4
220.12405	1.0
221.13232	3.8
222.13928	1.1
223.14818	8.6
224.15431	1.7
225.16354	0.8
228.24303	0.4
232.12491	0.6
233.13272	1.8
234.13907	0.8
235.14844	1.8
236.15482	0.6
237.16324	0.9
247.14830	2.7
248.15353	0.6
249.16396	1.5
251.17828	0.4
260.15652	0.5
261.16391	1.5
262.17197	0.9
263.17889	3.1
275.18024	1.2
276.18738	0.5
277.19550	1.9
278.20084	0.7
279.20834	0.6
289.19443	0.6
291.21030	0.6
303.20963	2.5
304.21686	0.6
317.22397	0.6
318.23453	2.4
319.24200	0.6
331.24258	0.4
417.27844	100.0
417.36993	2.6
418.28146	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71123	1.0
55.05490	1.2
58.73335	0.9
59.63660	1.0
67.05507	1.4
68.42667	0.8
69.07041	1.4
69.26874	8.2
77.53197	1.0
79.05505	1.4
81.07071	1.6
83.04970	4.9
91.05459	3.2
93.07037	3.1
95.08606	5.3
105.07040	3.9
107.08558	3.8
109.10146	1.4
111.04438	3.3
119.08595	5.4
121.10133	1.7
129.06967	1.5
130.23149	0.9
131.08557	3.4
133.10110	2.8
141.06964	1.4
142.07742	1.5
143.08595	2.3
145.10114	3.0
155.08545	5.0
156.09300	2.4
157.10152	2.4
159.11678	1.5
169.10124	3.6
170.10890	1.3
171.11713	5.2
179.08589	2.7
181.10129	2.2
183.11723	3.6
185.13257	1.6
193.10094	3.7
195.11723	2.4
197.13284	2.5
198.11192	1.0
199.14864	1.1
207.09018	1.3
207.11693	2.3
208.12418	2.6
209.13197	2.9
211.14807	4.1
214.29141	0.9
219.11668	1.4
221.10950	1.6
221.13235	5.4
223.14798	9.1
224.15579	1.8
225.16325	2.1
233.13266	2.6
235.14726	1.9
237.16318	2.1
246.13843	1.4
247.14867	1.4
248.15492	1.8
249.16249	1.0
251.17802	2.1
261.16376	1.7
262.17032	1.3
263.17920	2.0
276.18576	1.4
277.19327	2.8
284.11740	0.9
289.19400	2.0
291.20999	4.2
303.21078	4.2
308.11856	1.1
318.23389	2.8
332.11874	1.0
345.12244	1.4
346.13336	1.3
347.13968	1.8
348.14749	1.4
358.12476	1.6
359.12952	6.6
360.14072	1.1
361.15067	1.4
362.15878	1.3
371.13303	1.7
372.13748	4.4
373.14456	13.0
374.15231	8.7
375.15991	3.2
385.14554	1.6
386.15109	3.7
387.12033	2.6
387.16248	14.1
388.16580	6.9
389.17636	9.5
390.18076	2.8
400.16968	1.7
401.13632	3.6
401.18079	12.0
402.14240	4.7
402.18710	15.0
403.19275	6.2
415.15036	2.2
416.15839	4.2
416.20432	1.8
417.16864	100.0
417.20911	61.5
417.27847	63.7
418.17230	17.5
418.21289	17.8
418.28183	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
53.52868	0.3
55.05288	0.4
55.05508	3.3
57.07071	0.8
60.53266	0.4
62.55548	0.4
67.05169	0.5
67.05505	4.4
68.99783	0.5
69.03436	0.5
69.07065	5.0
69.58434	2.4
71.04999	0.5
71.08624	0.6
75.52142	0.4
79.05489	4.2
81.07059	5.7
83.04985	6.7
83.08600	1.5
85.06544	0.7
91.05475	4.1
93.07043	5.2
95.04944	1.0
95.08604	10.4
97.06533	1.0
97.10159	1.1
98.23318	0.7
99.04454	0.7
99.08046	0.4
105.07025	7.2
107.04955	0.5
107.07881	0.5
107.08594	6.9
109.06525	1.2
109.10149	3.4
111.04453	3.6
111.08088	1.8
113.05979	0.5
115.05468	0.4
117.06988	1.5
118.70394	0.4
119.07787	0.7
119.08579	7.5
121.06516	0.8
121.10143	3.2
123.08047	1.7
123.11697	1.5
125.05965	1.2
128.06252	1.0
129.06985	2.4
130.07700	0.6
131.08556	5.6
133.10135	4.4
135.08049	1.1
135.11722	1.1
137.05980	1.8
137.13251	0.9
139.03870	0.8
139.07536	0.4
141.07002	2.2
142.07806	1.9
143.08557	5.0
144.09297	0.6
145.10132	4.4
147.08028	1.2
147.11667	2.1
149.13260	0.6
151.07549	0.5
153.05486	2.1
153.06975	1.0
154.07726	0.8
155.08548	19.4
156.09363	2.3
157.10141	5.1
158.10838	0.6
159.08151	0.5
159.11719	2.9
159.28253	0.4
160.08968	0.4
161.09612	1.2
161.13283	1.6
163.11154	0.6
165.06989	1.3
167.07108	0.5
167.08572	1.5
168.09309	1.0
169.10092	5.6
170.10857	0.7
171.06552	1.1
171.11691	6.0
172.12318	0.4
173.13268	3.8
175.11154	1.2
179.08582	2.2
180.09322	1.3
181.04950	0.7
181.10112	4.2
182.10919	1.2
183.11707	3.0
184.12361	0.8
185.13287	3.5
187.14793	1.0
189.12758	0.8
191.08560	0.5
192.09291	0.9
193.10155	4.2
194.10918	2.3
195.11673	4.2
196.12413	1.7
197.13191	3.0
198.13927	0.7
199.14787	2.3
203.14236	0.6
205.10136	1.1
206.10918	2.7
207.11710	5.0
208.12392	3.6
209.13264	4.8
210.13998	1.6
211.14807	11.3
212.15401	0.9
217.10095	0.6
217.12112	0.4
217.15663	0.5
219.11678	2.3
220.12450	1.3
221.13283	6.1
222.13857	1.2
223.14795	10.4
224.15456	2.5
225.16357	2.1
231.11678	1.0
233.13203	2.4
234.13918	1.5
235.14803	2.8
236.15437	0.5
237.16396	2.4
239.17812	0.5
243.17401	0.5
245.13153	0.5
246.13966	0.9
247.14806	2.5
248.15457	1.3
249.16324	3.1
250.17209	0.6
251.17998	1.3
259.14572	0.8
260.15594	0.7
261.16388	2.5
262.17142	1.6
263.17987	3.2
264.18567	0.7
273.16318	0.7
275.17896	1.7
276.18686	1.2
277.19492	5.1
278.20123	1.8
288.18698	0.6
289.19434	1.5
290.20096	0.9
291.21109	4.1
292.21341	0.5
303.21063	4.6
304.21338	0.8
305.22751	0.5
306.23544	0.7
307.23981	0.5
317.22546	0.7
318.23413	5.2
319.23846	0.8
328.36288	0.4
363.54312	0.4
399.32166	1.0
402.25513	0.6
417.27811	100.0
418.28180	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2789
Annotation	Machillene
Peak:m/z	Relative Intensity
50.85612	0.3
55.05505	0.9
66.10235	0.3
67.05506	1.8
69.07069	0.9
79.05486	1.0
81.07065	1.6
83.04969	1.8
83.08629	0.4
91.05489	1.4
93.07059	2.6
93.54304	0.3
95.08603	3.5
98.23131	2.1
98.67297	0.3
99.04443	0.6
105.07025	2.5
107.08606	2.3
109.06486	0.4
109.10155	0.9
111.04433	1.3
111.08086	0.6
112.84216	0.4
114.61134	0.3
117.40228	0.3
119.08570	2.4
121.10134	0.9
121.12459	0.4
123.08087	0.8
128.06172	0.4
129.07011	1.3
131.08626	1.8
133.10130	1.4
134.04654	0.4
141.07013	1.1
142.07741	1.0
143.08562	2.0
144.09154	0.4
145.10130	1.5
147.11687	0.6
153.05455	1.1
153.06967	0.3
155.08553	8.6
156.09285	1.6
157.10164	2.5
158.10878	0.5
159.07959	0.3
159.11713	1.5
163.11232	0.4
165.07014	0.6
166.07727	0.4
167.08580	1.1
168.09254	0.3
169.10118	3.1
171.11662	2.0
172.12427	0.5
173.13284	0.9
178.07791	0.7
179.08577	2.1
180.09261	0.7
181.10115	2.4
182.10876	0.5
183.11690	2.0
185.13184	0.5
191.08575	1.0
192.09297	1.0
193.10138	4.8
193.88934	0.3
194.10841	1.1
195.11682	2.3
196.12350	0.5
197.13261	1.3
199.14806	0.4
200.06387	0.3
205.10141	1.4
206.10863	2.9
207.11681	9.1
208.12456	4.7
209.13249	3.4
210.13963	1.0
211.14807	4.9
212.15210	0.6
217.10123	0.4
219.11623	1.9
220.12396	0.8
221.13237	9.3
222.13890	2.1
223.14810	9.0
224.15396	1.1
225.16353	0.5
231.11758	0.9
232.12431	0.5
233.13254	1.5
234.13994	1.0
235.14833	1.8
237.16412	1.5
245.13286	0.7
247.14810	2.7
248.15431	1.7
249.16356	2.5
250.17032	0.6
259.14896	0.6
260.15543	0.5
261.16400	1.9
262.17102	1.0
263.17941	8.4
264.18488	0.8
275.17920	1.0
276.18814	0.9
277.19495	5.7
278.20297	1.9
279.21045	1.2
289.19397	0.8
291.21094	0.9
303.20834	2.2
317.22629	0.5
318.23425	1.2
333.18338	0.4
361.21265	0.5
402.25589	0.4
417.27829	100.0
418.28232	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.05515	4.8
57.99633	0.6
65.03959	0.7
65.99304	0.6
67.05503	7.0
69.03429	1.0
69.07069	3.3
69.21338	5.3
79.05490	4.5
81.07059	6.8
83.04984	5.9
83.08625	1.7
83.86591	0.6
91.05476	7.0
93.07043	9.8
95.04974	1.2
95.08609	12.9
97.06533	1.3
98.22595	0.9
105.04513	0.6
105.07026	10.6
107.08582	6.1
109.06537	1.8
109.10172	3.7
111.04459	2.5
111.08055	2.8
113.06026	1.5
115.05474	2.0
116.77543	0.6
117.07021	5.1
119.08569	8.9
120.08952	0.6
120.41866	0.6
121.06530	1.4
121.10142	3.3
123.08085	2.3
123.11668	0.6
128.06227	4.6
129.07007	5.8
130.07803	1.1
131.08568	5.4
133.10153	5.9
135.08061	1.2
135.11705	2.1
137.05943	0.8
137.13358	0.6
139.07567	1.0
141.06966	3.6
141.09140	1.2
142.07762	5.0
143.08565	12.5
144.09181	0.6
145.10091	3.9
147.08057	1.4
147.11674	3.0
149.09639	0.7
149.13153	0.7
153.07022	2.3
154.07828	1.1
155.08559	9.5
156.09346	10.5
157.10144	8.0
159.11673	4.1
161.09612	2.2
161.13277	1.6
165.06961	3.5
166.07780	2.7
167.08572	6.1
168.09319	2.6
169.10118	12.3
170.10794	1.4
171.10211	1.2
171.11688	20.8
172.12187	1.1
173.09659	0.9
173.13322	2.3
173.42097	0.6
175.11176	1.7
178.07814	1.5
179.08539	7.6
180.09351	3.4
181.10103	13.3
182.10829	1.8
183.11681	7.1
184.12358	0.7
185.13228	3.7
187.14909	0.8
189.12762	1.5
191.08562	4.4
192.09334	6.5
193.10124	14.8
194.10872	4.1
195.11687	11.5
196.12437	2.4
197.13223	5.0
199.11111	0.7
199.14853	1.7
203.08469	0.6
204.09396	0.9
205.10098	6.7
206.10893	11.8
207.11684	14.1
207.13649	1.0
208.12454	8.3
209.13231	10.4
210.13976	2.2
211.14812	8.6
217.10130	1.5
218.10963	1.8
219.11725	8.6
220.12471	5.6
221.13254	26.8
222.13857	5.5
223.14818	24.8
224.15375	2.4
225.16458	1.7
231.11777	1.4
232.12488	2.4
233.13246	8.6
234.14000	4.9
235.11186	0.7
235.14790	13.8
236.15396	2.1
237.12738	1.3
237.16420	6.5
238.16840	1.0
239.18011	1.0
245.13292	1.7
246.14061	1.7
247.14816	8.0
248.15579	3.9
249.16389	10.6
250.17052	1.8
251.18071	1.7
258.14230	0.7
259.14914	1.9
260.15536	1.0
261.16391	5.6
262.17212	4.2
263.17935	11.0
264.18414	1.0
273.16296	1.7
274.17105	0.8
275.17856	3.6
276.18796	2.6
277.19507	34.3
278.20001	6.0
279.21063	12.0
279.23944	0.9
280.21530	1.5
287.17935	1.7
289.19583	2.4
290.20166	1.2
291.21066	0.8
293.19034	0.6
303.21057	3.9
305.22443	0.8
315.21127	1.0
317.22656	1.3
318.23315	3.3
343.24304	1.0
361.21658	4.3
371.27420	1.6
375.22998	0.8
399.27075	1.1
417.27927	100.0
418.28265	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94364	0.3
53.03953	0.3
55.05518	2.4
57.07079	0.3
63.89970	0.3
65.03925	0.5
67.05507	3.6
68.08694	0.3
69.07047	1.3
69.09714	0.3
71.30325	0.5
74.05836	0.3
78.36050	0.3
78.40061	0.3
79.05489	2.0
80.88891	0.3
81.07059	2.5
82.07417	0.3
83.04974	2.7
83.08624	0.7
91.05491	3.1
93.07044	4.7
95.04963	0.9
95.08601	7.3
96.08971	0.4
97.06596	0.4
97.10191	0.5
99.04467	0.4
105.07022	3.8
107.08595	3.3
109.06535	0.9
109.10159	1.9
111.04430	1.3
111.08092	1.3
115.05440	0.6
117.07006	1.3
118.44146	0.3
119.08569	3.5
121.06538	0.4
121.10151	1.7
123.08077	1.3
123.11748	0.3
128.06241	1.0
129.06999	1.9
130.07846	0.3
131.08568	2.0
133.10132	2.3
135.11742	0.8
137.05957	0.4
139.05527	0.3
139.07549	0.4
141.06981	1.9
141.09081	0.4
142.07791	1.6
143.08559	3.6
144.09378	0.5
145.10152	2.1
147.08018	0.6
147.11639	1.4
149.13307	0.3
152.06277	0.3
153.07011	1.2
154.07774	0.9
155.08566	7.9
156.09319	2.4
157.10135	4.7
158.10800	0.5
159.08051	0.5
159.11703	2.1
161.09650	0.9
161.13298	0.9
162.74074	0.2
163.11263	0.4
165.06932	2.3
166.07790	0.8
167.08533	2.6
168.09299	0.6
169.06567	0.4
169.10136	6.0
170.10762	0.6
171.08095	0.5
171.11673	5.1
171.13087	0.4
172.12431	0.6
173.09660	0.4
173.13249	0.6
175.11179	0.4
178.07756	1.5
179.06992	0.4
179.08536	4.6
180.05711	0.3
180.09315	2.0
181.06506	1.0
181.10086	3.5
182.07306	0.4
182.10822	0.9
183.08060	0.7
183.11685	2.9
184.12556	0.3
185.13286	1.2
187.11223	0.4
187.14764	0.3
189.12822	0.4
191.08554	1.7
192.09329	3.1
193.06447	0.4
193.10114	8.2
194.07243	0.8
194.10847	2.2
195.08095	0.8
195.11667	4.3
196.08864	0.8
196.12415	1.3
197.06071	0.6
197.13289	2.3
198.06682	0.4
198.13992	0.4
199.14874	0.6
203.08595	0.4
204.09462	0.4
205.06442	0.6
205.10124	3.1
206.07364	0.6
206.10902	4.0
207.08131	1.3
207.11685	11.3
208.08879	0.6
208.12436	4.9
209.05943	0.6
209.09709	0.9
209.13234	5.6
210.06758	0.7
210.10263	0.3
210.13901	1.0
211.07603	1.2
211.11293	0.6
211.14793	5.7
213.09142	0.4
217.10034	0.8
218.10953	0.6
219.08221	0.6
219.11697	3.3
220.12460	2.3
221.06082	0.8
221.13243	13.3
222.06737	1.2
222.13820	2.2
223.03883	0.3
223.07594	1.2
223.11238	1.1
223.14812	11.3
224.04732	0.4
224.08293	2.4
224.15349	1.9
225.05476	0.8
225.08882	0.4
225.16318	0.9
226.06262	0.8
227.07008	0.6
231.11789	0.6
232.12459	0.9
233.06218	0.3
233.13281	3.3
234.06816	0.3
234.13951	1.9
235.07472	2.0
235.11241	0.5
235.14818	6.7
236.08252	1.3
236.15440	1.2
237.05429	2.3
237.09019	1.3
237.12776	0.6
237.16360	3.0
238.06282	1.3
238.09840	0.4
238.17062	0.5
239.07014	1.0
239.10612	1.5
239.17941	0.5
240.07767	0.7
240.11275	0.3
241.04985	0.4
241.08603	1.0
244.12650	0.5
245.13341	0.9
246.13977	0.7
247.14832	4.3
248.15623	1.6
249.05496	0.8
249.09146	0.3
249.16330	5.0
250.06331	1.4
250.17059	1.0
251.06976	1.6
251.17792	0.7
252.07765	2.4
253.04950	0.7
253.08601	1.1
254.05804	1.4
255.06320	0.8
257.04358	0.4
257.13245	0.5
259.14856	1.0
260.15677	0.4
261.13403	0.4
261.16382	3.5
262.14111	0.4
262.17029	2.0
263.07022	1.4
263.17953	10.2
264.07806	1.1
264.18484	0.9
265.05493	0.5
265.08658	2.4
266.05823	0.4
266.09351	0.7
267.06570	2.0
267.10208	4.4
268.07272	1.5
268.10577	0.6
269.08154	1.7
269.10782	0.3
271.06299	0.5
273.16330	0.7
275.14578	0.3
275.17831	1.6
276.18561	1.4
277.15976	1.0
277.19498	12.2
278.16846	0.5
278.20044	3.4
279.06583	0.7
279.17685	0.4
279.21051	1.7
280.07211	1.6
280.21390	0.4
281.08060	1.1
282.08780	0.8
283.09521	0.5
284.06796	1.9
287.18011	0.6
289.19522	1.2
290.20386	0.4
291.13876	0.3
291.20792	0.6
292.07391	0.5
293.08096	2.6
294.08820	1.1
295.06110	1.0
295.09558	6.5
296.07043	0.6
296.10257	0.7
297.07571	1.1
297.11255	1.6
299.09128	3.8
299.12399	0.5
300.06329	0.6
303.17654	0.5
303.20969	2.1
305.22736	0.5
309.07565	0.6
309.18246	0.3
310.08313	2.0
311.09131	1.1
312.09616	0.5
313.07111	0.7
314.07693	0.9
315.08636	1.2
317.22729	0.5
318.23380	1.4
319.23865	0.4
323.09149	0.7
324.09781	0.7
325.10669	11.5
326.11130	2.7
327.08633	1.1
327.12335	2.0
328.09424	0.6
329.10019	1.4
341.10168	0.7
342.10901	2.5
347.20282	0.5
355.11758	8.0
356.12183	0.9
356.35367	0.5
357.13303	7.9
358.13702	1.3
361.21515	0.7
371.23477	0.6
375.23291	0.4
399.22934	0.6
399.27417	0.4
402.25192	0.4
417.27905	100.0
418.22940	0.7
418.28278	13.7
418.39020	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22551	1.1
51.44228	0.9
53.03957	2.2
55.05511	8.0
57.03452	1.2
57.07074	4.1
65.03949	3.2
67.05499	9.2
69.07072	14.6
69.22655	6.3
69.23057	2.6
71.05000	6.1
71.08630	4.5
79.05491	10.1
79.93741	1.0
80.19199	1.0
81.07056	19.1
83.04983	10.8
83.08611	6.8
84.60932	1.0
91.05482	11.7
93.07039	4.8
95.04969	2.5
95.08606	19.8
97.06539	2.2
97.10186	4.9
98.22586	1.8
98.23199	3.4
99.08100	2.2
104.17326	1.2
105.07032	4.1
107.05011	1.9
107.08611	4.3
109.06521	23.9
109.10158	10.5
111.04459	1.5
111.08119	1.9
111.11713	1.7
117.07108	1.1
119.04903	1.1
119.08595	3.6
121.10155	3.2
123.08079	3.1
123.11715	8.8
125.05985	15.4
127.11169	1.7
131.08591	2.1
133.10162	3.2
135.08075	1.6
135.11665	2.0
137.05977	74.2
137.13260	4.2
138.06331	2.0
139.03885	5.5
139.07526	1.2
143.08511	2.7
145.10150	1.6
147.08025	1.1
147.11674	2.1
151.07552	13.9
151.14854	2.0
153.05490	8.0
155.07040	3.3
155.08565	4.2
156.09215	1.5
157.10152	2.1
159.11667	1.8
161.09605	1.4
165.09087	6.8
165.16411	1.5
167.08449	1.1
169.10184	1.6
171.11691	3.9
175.11227	2.4
179.08463	1.1
179.10683	4.6
181.10063	1.9
183.11728	1.9
189.09183	1.1
189.12798	3.7
193.10170	2.2
193.12230	3.6
195.11699	1.8
197.13423	1.1
205.12402	1.1
206.10851	1.8
207.11681	3.2
207.13852	2.2
208.12607	1.4
211.14897	2.0
219.11613	1.3
221.13301	3.1
221.15443	2.0
223.14830	4.8
233.13164	1.4
235.14804	2.0
247.14748	1.3
261.16489	1.6
263.17834	2.4
277.19519	3.3
281.28329	6.8
282.28668	1.3
318.23599	1.8
347.29578	1.3
399.32538	3.3
417.16959	3.8
417.27786	31.3
417.33588	100.0
418.17432	1.7
418.28107	5.0
418.33926	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.05510	7.2
55.38648	0.9
57.07076	4.5
65.03947	1.6
67.05509	9.1
68.64522	0.7
69.03416	1.1
69.07070	10.1
71.05003	4.8
71.08628	2.8
79.05493	9.1
81.07056	18.5
83.04983	10.2
83.08612	5.3
85.06522	1.0
85.10185	1.4
91.05478	10.8
93.07047	5.5
95.04961	1.9
95.08602	17.9
97.10169	4.4
99.04460	0.6
99.08081	2.4
105.07034	4.5
107.04945	1.4
107.08598	4.2
109.06515	21.1
109.10161	8.6
111.04466	1.1
111.08076	1.4
111.11739	2.4
117.07059	1.1
119.08569	4.1
121.06469	0.8
121.09269	0.7
121.10136	2.4
123.08087	1.9
123.11717	7.0
125.05132	1.0
125.06001	11.1
127.11159	1.8
129.06993	1.9
131.08577	2.2
133.10118	2.9
135.08020	1.0
135.11691	1.9
137.05974	67.3
137.13248	5.2
138.06248	1.5
139.07500	0.8
141.05464	0.8
141.12773	1.6
142.07790	1.5
143.08554	3.1
145.10155	1.9
147.11667	1.5
149.13289	1.0
151.06383	1.1
151.07532	12.2
151.14816	2.2
153.05498	5.8
155.07021	3.0
155.08536	3.8
156.09293	1.5
157.10071	3.2
159.11679	1.8
161.09593	2.3
161.13242	1.4
165.09100	6.5
165.16499	1.0
167.07082	0.7
167.08585	1.3
169.10127	2.7
171.11679	4.0
173.09662	0.7
173.13271	0.9
175.11162	2.0
177.12679	0.7
179.08554	1.4
179.10681	3.6
179.17804	0.7
181.10091	1.6
182.10779	0.9
183.11690	0.8
185.13246	1.2
189.12743	2.9
192.09314	1.3
193.10182	2.8
193.12219	3.5
195.11728	1.3
197.13223	1.2
198.13721	0.6
205.10129	1.6
206.10898	2.2
207.11670	3.8
207.13828	2.2
208.12476	2.7
209.13232	1.4
211.14822	2.7
219.11703	1.4
220.12384	0.9
221.13254	4.3
221.15277	1.4
222.13770	1.3
223.14809	5.0
225.21890	0.7
234.13968	0.8
235.14877	2.1
235.16959	0.8
236.15451	1.2
237.16396	1.3
245.13100	0.9
247.11623	0.6
247.14726	1.4
248.15443	1.0
249.16226	1.8
261.16452	1.8
262.17020	1.3
263.17844	3.4
263.20303	1.1
263.27304	1.0
275.17877	1.2
277.19293	3.4
278.20300	1.0
279.21173	0.9
281.28403	9.2
303.20920	0.8
347.29364	1.1
359.12601	0.8
373.14334	1.0
387.16010	1.7
389.17700	1.0
389.33951	0.8
399.32547	6.9
400.32501	0.7
402.18588	1.2
417.16177	12.7
417.21405	4.2
417.27768	40.5
417.33545	100.0
418.17270	2.6
418.22006	1.6
418.28131	6.0
418.33908	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90111	6.8
59.52273	6.9
66.21716	6.3
69.25117	20.6
69.25541	35.6
74.32035	7.9
81.07009	8.8
82.31105	7.8
83.80617	6.7
93.07037	11.5
95.08611	12.1
98.23340	8.4
104.83502	7.5
114.09866	8.4
119.08604	7.6
123.62375	7.2
157.10214	15.5
165.71848	7.1
183.11617	8.6
185.13245	23.2
187.14804	9.5
197.13319	9.0
224.07785	8.9
238.08942	7.4
246.43440	8.3
272.09332	15.8
279.21069	10.5
297.10309	14.0
298.11057	10.9
300.08887	12.8
301.09647	21.7
302.10318	11.4
303.10663	12.3
312.12411	16.8
313.09604	12.1
313.12927	21.5
314.10425	17.6
315.10931	15.3
316.11710	9.1
322.11172	9.5
327.11340	16.6
328.11823	33.3
329.08844	11.1
329.12424	20.6
330.09805	11.5
337.14413	8.3
341.13248	13.4
342.13776	27.3
343.10831	6.6
343.14139	67.7
344.11017	40.9
344.14731	34.0
345.12213	37.2
346.12402	10.0
354.13364	12.0
358.13177	20.3
359.13358	37.0
369.15652	27.9
370.17154	8.9
373.15564	27.8
374.15778	97.3
375.13187	11.2
376.13559	59.9
386.15720	35.4
387.16440	16.0
401.19470	22.0
418.18307	100.0
418.27945	12.2
419.29565	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.5
55.05501	14.7
55.75882	6.0
62.08242	6.0
65.03948	8.8
67.05502	26.2
68.04786	6.7
69.03426	12.0
69.07056	6.5
71.04993	7.3
71.30626	12.2
79.05485	17.0
81.07043	38.2
83.04967	32.8
83.08639	8.4
85.02894	29.0
91.05462	9.6
93.07074	35.8
95.04968	10.8
95.08577	39.5
95.44147	6.6
97.02879	8.7
97.06545	6.4
99.04430	8.8
105.07018	23.0
107.08580	21.4
109.06555	7.7
109.10141	16.4
111.04452	16.0
111.08064	10.1
119.08583	18.8
121.06467	6.4
121.10138	20.7
123.11666	12.8
125.05991	14.0
133.06499	8.0
133.10110	14.3
135.08078	8.6
137.05933	9.9
143.08516	8.9
145.04991	7.4
147.08060	6.8
147.11649	18.5
150.03024	6.4
151.07460	7.7
155.08531	25.3
156.08955	10.9
161.09604	9.0
165.06969	11.7
167.07019	21.7
167.08391	7.9
168.07343	11.1
171.08037	8.8
171.11649	6.4
178.07657	8.2
179.08304	6.9
181.04947	90.9
181.08641	8.9
181.10190	8.0
182.05305	63.7
190.09230	6.9
192.09201	10.9
193.09984	15.2
193.12279	6.0
195.06551	20.9
195.08240	7.1
195.11668	9.6
196.06895	16.0
198.08618	9.8
201.09070	8.0
203.17935	32.6
207.11526	14.0
208.11934	15.3
208.33687	7.5
215.08847	6.7
218.08910	6.6
219.11746	9.9
221.11679	7.2
221.19112	10.0
222.12114	7.3
229.10133	8.8
230.10475	7.2
244.12238	12.3
245.13158	15.3
246.13715	20.6
250.11513	16.1
258.13873	8.2
260.15271	17.6
261.12701	7.8
261.15964	18.8
263.14377	7.9
286.16754	17.3
301.19009	15.0
335.22729	8.0
343.96637	7.5
349.56479	7.2
365.89471	6.2
400.23453	100.0
401.21201	23.0
418.19650	16.2
418.24588	29.5
419.21896	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.7
65.03951	5.5
67.05515	9.4
69.03419	5.3
69.07069	3.6
69.17580	6.9
69.17979	14.8
79.05518	4.9
81.03417	3.2
81.07060	23.4
82.04201	5.3
85.02915	9.9
91.05478	4.6
92.02515	3.1
93.07060	9.2
95.04988	5.1
95.08607	11.7
97.02910	3.7
97.06544	3.7
98.23349	5.2
102.65737	3.2
105.07044	8.9
107.08562	3.7
109.10153	4.8
121.10149	5.5
129.06963	3.6
131.08649	4.4
133.10106	3.4
138.03119	5.9
139.07558	3.6
145.04991	4.1
155.08585	2.6
161.09608	7.9
162.09962	5.4
163.14830	12.3
167.07027	5.4
171.06526	7.2
172.06944	6.7
181.04968	100.0
181.08549	4.2
182.05324	59.0
189.09074	8.5
190.09494	9.2
195.06587	18.5
195.10237	3.1
196.06906	10.8
199.35974	3.2
203.17993	12.4
221.11624	13.3
221.19095	10.5
222.12115	15.6
241.08640	4.5
249.11250	10.3
250.11632	18.7
267.10345	3.2
292.10724	3.8
295.13251	4.2
313.10580	5.0
315.12259	3.6
318.10971	4.4
323.12827	12.8
327.12534	4.9
330.10849	5.7
332.12433	7.1
337.14304	9.6
338.15167	8.3
339.12155	4.6
339.15991	4.7
345.13364	3.0
355.15396	4.6
359.14865	5.8
365.74515	3.3
369.17026	13.8
370.17874	16.7
386.17194	3.6
400.18524	3.3
400.23761	3.2
401.19931	18.3
418.19373	20.9
418.24658	7.5
419.22113	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.097
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
53.68160	1.0
55.19398	1.1
57.03434	3.5
68.99773	1.4
69.03418	1.2
69.26676	8.0
85.02916	1.9
85.84953	1.2
91.37341	1.0
102.74951	1.2
103.43643	1.1
121.02863	6.6
133.04971	1.2
153.01773	5.6
165.01837	2.7
173.29152	1.1
183.02861	1.4
213.05452	2.0
223.46069	1.2
258.05283	1.4
274.20581	1.2
287.05493	100.0
288.05847	4.6
299.05481	2.9
313.07080	1.4
329.06390	2.2
353.06345	1.5
383.07767	3.3
388.10800	1.2
409.44995	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.5
61.02916	1.7
62.59914	0.6
63.07992	0.7
66.03606	0.5
66.19353	0.6
68.99761	0.6
69.73312	3.1
70.90276	0.6
71.87811	0.6
73.02916	13.2
86.13509	0.6
96.58909	0.6
105.03324	0.6
107.04987	0.6
111.00763	0.8
115.03938	0.8
121.02850	4.8
133.02943	0.5
137.02330	1.0
153.01831	5.4
164.25766	0.7
165.01878	2.0
213.05502	1.2
231.06558	0.9
241.05003	0.9
245.04507	0.6
258.05249	1.3
259.05991	0.9
287.05493	100.0
288.05844	6.4
290.86108	0.6
299.05545	1.8
311.05264	0.7
329.06699	1.2
348.02274	0.7
383.07574	2.0
419.09689	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.2
55.05507	0.9
57.03434	1.7
61.02922	1.0
68.99816	0.9
69.03411	1.4
70.48821	1.1
70.49161	1.5
73.02915	7.7
74.62149	0.8
79.05495	1.6
79.48000	0.7
85.02879	2.1
85.36195	0.7
91.05488	1.4
96.24546	0.7
107.04958	21.0
107.05695	1.1
111.00825	1.0
111.04433	1.2
111.08031	0.8
115.03904	0.9
121.02846	6.6
123.04465	1.5
126.97997	0.9
133.04993	0.7
137.02310	1.5
137.05966	1.5
147.04427	1.1
149.02345	0.9
149.05972	0.9
149.74634	0.8
151.03925	1.4
153.01811	5.8
161.06049	1.7
165.01825	2.4
167.07047	2.0
171.04384	0.8
181.04956	2.0
183.02861	1.5
185.05920	1.0
191.03430	1.0
193.04977	1.4
213.05492	1.4
222.12038	1.4
223.07616	0.9
235.05988	2.3
241.04926	1.2
247.06079	0.8
255.06421	1.0
259.05960	1.2
267.06561	1.9
287.05484	100.0
288.05786	7.1
299.05521	8.4
299.08786	1.2
311.05399	1.9
313.06995	1.4
325.07037	2.4
329.06522	6.8
337.06931	2.6
341.06531	1.3
341.10220	2.2
353.06482	5.7
353.10110	1.3
365.06485	2.5
365.10629	0.7
383.07458	7.0
383.11694	0.9
384.07642	0.9
401.08496	2.1
419.09946	2.2
422.78226	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0973
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
55.01870	0.7
55.58011	0.5
57.03438	6.4
61.02915	1.6
69.24671	1.1
69.25079	3.5
73.02922	11.7
86.93232	0.6
110.53206	0.6
111.00796	0.6
115.03935	0.9
121.02859	3.1
133.02875	0.7
137.02327	0.8
147.04419	0.7
153.01825	5.3
157.06477	1.0
165.01790	1.9
183.02887	1.0
185.23651	0.6
213.05449	1.2
229.04958	0.6
231.06607	0.7
241.05025	1.1
258.05231	1.4
287.05502	100.0
288.05908	6.2
329.06534	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.1
51.02374	0.2
53.03939	0.7
55.01872	1.3
56.96570	0.1
57.03426	0.4
61.02914	0.2
65.03929	0.2
67.01868	0.2
67.05505	0.1
68.99786	0.2
69.03422	0.3
71.29790	0.1
73.02912	0.2
77.03922	0.2
79.05490	1.5
81.03413	0.4
85.02899	1.6
89.24689	0.1
91.05476	0.3
93.03444	0.1
93.07045	0.2
95.04964	1.2
97.02892	0.5
98.97544	0.1
103.03938	0.5
103.05499	0.1
105.03438	0.1
105.04503	0.4
105.07008	0.3
107.04951	100.0
108.05276	2.7
109.02892	0.9
109.06538	0.1
115.05486	0.1
116.98640	0.1
117.07024	0.3
119.04928	0.3
121.02846	0.9
121.06488	0.5
123.04420	0.7
127.03928	0.4
129.06975	0.3
131.04921	0.7
131.08582	0.2
133.06511	0.3
133.10143	0.2
135.04417	0.3
137.05971	0.3
139.03897	2.7
140.04221	0.1
145.02829	0.1
145.06511	0.3
147.04395	0.7
149.02325	0.2
149.05980	1.9
149.07169	0.1
151.03896	1.2
153.01846	0.2
155.04919	0.1
157.06459	0.2
159.04411	0.2
159.07999	0.2
161.05952	0.6
163.03903	3.0
164.04269	0.1
165.01868	0.2
165.05449	0.9
167.03419	0.1
169.04964	0.5
169.06372	0.1
171.04378	0.3
171.05772	0.1
173.06007	0.7
175.03925	0.7
177.01881	0.3
177.05472	0.4
177.09056	0.2
179.07051	0.2
179.10889	0.1
180.88902	0.1
181.04951	6.1
182.05333	0.3
183.03130	0.1
185.05920	0.3
187.03894	0.9
189.05447	1.2
191.03358	0.4
191.07027	0.1
193.04964	5.3
194.05336	0.2
197.06041	0.1
201.05502	0.3
203.03465	0.2
205.04942	2.4
205.08249	0.1
207.02824	0.3
207.06525	3.4
208.06931	0.1
213.05504	0.4
213.07719	0.2
215.03366	0.2
217.04944	1.4
219.06519	0.4
221.04462	0.2
223.06100	0.1
223.09679	0.1
229.04973	1.7
231.06543	0.6
231.09018	0.2
233.04453	0.3
235.06000	9.4
236.06441	0.4
241.04958	1.4
245.04424	0.4
247.06010	4.1
248.06387	0.2
249.07532	0.1
253.06947	0.1
259.03244	0.2
259.06006	3.6
260.06323	0.3
265.07053	0.3
267.06625	0.1
269.08118	0.4
275.09161	1.7
277.07050	1.9
278.07376	0.1
287.09119	6.1
288.09467	0.4
293.08215	0.2
295.08124	0.9
299.09119	2.6
300.09628	0.2
311.09128	0.3
313.10330	0.1
323.09198	0.4
335.09152	0.7
337.10583	0.2
341.10181	11.4
342.10477	1.1
347.09039	0.4
353.10168	8.9
354.10532	0.7
365.10168	5.0
366.10507	0.4
371.11368	0.4
383.11194	2.1
384.11758	0.2
401.12354	1.2
402.12570	0.2
419.13123	0.8
420.13367	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.17
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.9
55.05515	3.9
56.15398	1.3
57.30659	1.3
67.05512	3.3
69.07098	3.2
70.56476	4.4
79.05498	2.4
81.07069	5.0
83.04987	4.1
83.08627	1.3
91.05499	3.0
93.07064	3.2
95.04987	2.2
95.08626	4.9
97.06508	1.9
105.07027	3.1
107.08608	2.2
109.10185	2.0
119.07773	1.2
119.08595	5.0
121.02841	1.4
121.06457	1.4
121.10129	2.7
123.04453	2.0
127.03909	1.4
128.06209	1.3
129.06993	1.5
131.05003	1.5
133.10182	3.2
135.08054	1.3
135.11717	3.0
137.06020	1.3
139.03903	6.3
145.10121	1.5
147.11798	1.9
153.01820	1.8
157.10138	1.7
161.06012	2.6
167.07092	2.3
175.07600	4.1
178.07816	1.2
181.04965	2.3
181.06442	1.8
186.06706	1.7
191.06931	2.0
191.10854	1.4
195.08109	2.0
203.17955	2.3
204.07845	4.4
205.08527	2.2
211.07532	1.6
213.05602	1.6
219.10112	12.5
223.07631	1.6
225.09149	2.9
226.06381	1.7
227.03526	1.5
229.04968	1.9
237.05515	1.5
241.04984	4.1
241.08543	2.9
243.06633	3.8
247.09586	3.1
248.10432	1.8
249.08994	2.1
251.07137	2.2
252.07854	1.7
253.05176	1.6
253.08534	1.9
254.05745	1.9
255.06384	2.2
256.07324	2.6
257.04565	1.9
257.08054	2.8
258.05246	2.0
258.08875	2.9
259.06061	10.1
263.07037	1.6
265.08600	3.6
266.09540	2.1
267.06558	2.3
269.04370	2.1
269.08112	4.1
270.05472	1.6
270.08688	3.0
271.06021	7.8
271.09314	2.0
272.02982	2.1
272.06503	1.8
273.07550	3.1
277.08621	2.8
278.09079	1.5
279.06686	2.3
279.09918	2.4
280.07324	1.9
281.08188	4.1
281.11810	4.5
283.09579	2.9
284.06781	4.8
284.09891	2.3
285.07611	4.3
286.08374	11.0
287.05545	31.1
287.09088	5.1
288.06012	3.5
293.08115	1.5
294.08871	4.8
295.09653	3.5
297.07635	5.8
298.05023	1.5
298.08365	4.4
299.05539	4.6
299.08948	2.8
301.07120	4.5
301.10760	6.2
302.07922	11.6
303.04996	3.2
303.08322	2.2
309.11087	10.5
310.11899	3.1
311.09085	6.7
312.09863	1.9
313.07086	3.2
313.10550	3.0
314.07761	3.9
314.11334	1.7
317.10193	44.3
318.07239	3.5
318.10703	2.7
319.08310	1.7
323.09265	2.5
326.11389	2.3
327.12338	4.7
329.10229	29.4
330.10809	1.8
333.09750	5.6
337.10736	6.7
338.11520	3.2
341.13904	5.9
343.11740	5.7
344.12534	33.4
345.13153	3.4
351.12149	4.4
355.11545	2.5
369.13345	20.3
370.09872	2.4
370.14111	20.3
371.14832	2.1
373.16507	5.5
383.15201	1.6
386.13925	1.7
401.15942	100.0
402.16296	8.9
404.14670	1.8
419.07498	1.6
419.19943	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98696	1.0
51.88527	1.0
54.04828	1.1
55.01852	1.3
55.05504	3.2
67.05524	2.6
69.03414	2.3
69.07092	2.8
69.20256	2.6
69.20664	6.0
79.05498	4.0
81.03397	1.2
81.07057	8.7
83.04985	1.8
85.06542	1.9
91.05500	4.9
93.07052	4.9
95.04981	3.6
95.08627	4.4
97.06533	2.0
105.07053	4.1
107.08610	3.3
109.06538	3.3
109.10162	2.7
110.10526	1.1
111.04469	1.9
111.08061	1.3
115.05498	1.4
116.06248	1.6
119.07138	1.0
119.08603	2.9
121.06516	2.0
121.10158	3.1
123.08109	1.9
128.06210	1.2
129.06993	2.4
131.04950	1.2
131.08580	2.6
132.34579	1.3
133.10165	1.7
135.11647	1.3
137.05956	5.9
137.09590	1.3
139.07520	2.9
143.08566	1.2
145.06509	1.8
147.04387	1.8
147.08060	2.0
147.11639	1.6
149.05992	2.0
151.03952	1.6
155.08592	1.6
157.10095	1.7
159.08110	1.6
161.05914	1.2
161.09628	1.4
163.07617	1.8
165.06967	1.3
167.07043	5.4
169.04985	1.4
169.10194	1.6
171.08087	2.8
171.11705	1.4
173.09625	1.5
176.81335	1.1
177.05408	1.6
179.08507	2.8
181.04967	9.2
181.06427	2.2
181.08528	1.5
183.07996	2.2
185.09605	7.6
187.07500	1.8
189.09149	3.0
191.07054	2.7
192.09355	2.0
193.10143	1.4
195.08049	1.9
195.11694	1.6
196.52382	1.1
197.05956	1.3
197.09796	2.1
198.06790	1.4
199.07521	1.2
199.11195	1.3
201.05449	1.5
201.09038	1.0
204.07828	1.1
205.10123	1.7
209.06053	1.2
209.08023	2.2
210.06877	1.1
211.07587	2.0
211.11230	1.6
214.06282	1.3
215.07005	2.0
219.10103	1.9
221.09709	1.4
224.04527	1.1
224.08070	1.4
225.09132	1.6
225.12653	1.1
226.06203	1.3
227.03467	1.7
227.07080	2.0
228.04169	2.0
229.04962	4.5
232.03700	3.8
235.11293	1.5
237.12781	1.7
239.03319	2.5
239.10678	2.2
240.07800	1.7
241.05103	2.2
241.08623	3.1
242.05750	5.0
242.11043	1.1
243.06444	6.5
245.04503	4.7
249.09114	2.6
250.06064	1.6
251.06927	1.6
253.04951	2.2
253.08675	2.0
253.12112	1.7
254.05768	3.1
255.06441	2.2
257.04419	14.6
257.08105	3.7
258.05099	1.6
259.05923	5.8
260.03223	2.1
263.10559	1.6
265.08453	2.7
267.06329	2.7
268.07364	2.5
269.08160	4.0
270.05237	3.7
271.05899	7.6
272.06628	5.7
273.04056	1.6
273.07373	2.4
275.05460	20.5
279.06723	1.2
279.10019	1.2
280.07428	1.1
280.10587	1.2
281.08063	2.3
281.11588	1.3
282.05328	5.0
283.06143	2.3
283.09677	6.2
284.07031	1.9
284.10110	1.5
285.03958	8.7
285.07275	2.5
286.04568	1.5
286.08380	2.6
287.05493	7.6
287.08844	2.5
288.03018	1.4
288.06235	5.1
289.07071	5.2
293.08038	2.2
294.08875	2.5
295.09650	2.3
296.06772	1.6
297.07602	5.5
297.10770	1.8
298.08194	1.8
299.05588	1.8
300.06345	12.1
300.09738	1.7
301.07059	3.0
302.07767	2.5
303.05020	9.1
303.08667	9.6
304.09253	1.4
307.05933	2.0
309.11234	3.1
310.08234	1.4
310.11816	1.3
311.05655	1.6
311.09094	9.3
312.09836	1.8
313.07016	1.6
313.10730	1.8
315.08664	4.8
317.10049	5.8
318.07315	17.9
323.09305	1.8
323.12677	1.6
325.07065	2.4
325.10760	3.3
326.11459	10.7
327.12164	3.1
328.09235	2.1
329.10126	8.5
330.10992	3.3
332.08926	1.7
333.09656	49.6
334.10184	4.1
335.11108	1.8
337.10764	6.0
339.08527	4.5
340.09213	2.1
340.12994	1.7
341.13867	2.4
344.08813	2.6
344.12607	2.2
347.11319	4.0
351.12289	3.2
353.10159	2.7
354.10901	5.2
355.11758	5.8
355.15759	1.9
357.09644	1.7
359.11072	3.5
359.15167	1.6
360.11966	1.7
369.13275	25.7
370.13992	7.7
371.11111	8.2
383.14987	2.4
386.13547	10.1
387.14148	2.2
401.15900	100.0
402.16110	8.7
419.17877	14.1
420.18521	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
55.01885	2.1
55.05514	4.9
67.05502	7.2
67.34004	1.5
68.99815	2.2
69.03429	11.5
69.06841	8.3
69.07236	3.8
71.04987	2.2
75.04472	10.9
79.05498	6.3
81.07073	5.5
83.04993	7.5
91.05487	10.9
93.07071	5.6
95.04993	4.1
95.08587	8.1
97.06548	6.5
98.03614	2.2
99.04426	2.3
101.06026	3.7
102.04013	1.5
105.07014	11.8
105.63466	1.6
107.04983	1.7
107.08614	5.3
109.02922	5.1
109.06551	2.7
109.10202	3.0
111.04487	3.8
111.08159	2.4
115.05418	3.0
117.07038	5.7
119.08578	16.5
121.06581	2.7
121.10175	2.6
123.08101	2.8
125.02377	4.3
127.03886	2.0
128.06255	3.3
129.07034	7.8
131.08606	5.1
133.06499	19.4
133.07442	2.7
133.10233	2.3
133.23747	1.8
137.02344	24.4
141.05513	9.6
141.07040	4.5
142.07785	2.3
143.08546	11.6
144.08047	2.0
145.06538	5.8
145.10178	3.9
147.08101	2.2
147.11717	3.6
149.02347	2.8
149.09557	2.0
153.07014	3.0
154.02763	2.0
154.04103	2.2
155.08586	6.7
157.06531	4.6
157.10178	5.9
159.04509	2.7
159.08116	6.0
160.08847	4.5
161.06029	3.2
161.09689	5.3
165.07042	5.7
166.07886	2.9
167.07097	1.6
167.08627	6.2
169.04971	53.8
169.06294	2.9
169.10164	3.0
171.04465	2.4
171.08087	7.1
171.11725	2.0
173.06058	5.9
173.09657	3.7
174.06767	3.2
175.07561	3.4
175.11250	2.4
176.04782	2.4
177.09134	1.8
178.07753	3.4
179.07222	2.1
179.08636	7.4
180.09285	3.1
181.10155	5.9
183.04529	3.1
183.08040	1.9
183.11794	3.6
185.06026	4.3
185.13687	1.7
186.06805	3.6
187.03946	2.7
187.07593	4.0
188.08345	22.7
188.09753	2.2
189.09163	5.8
191.07108	6.2
192.09416	2.6
193.10168	8.3
194.07283	1.6
194.10968	4.3
195.08060	8.1
195.11748	6.1
196.08931	2.5
197.04462	2.4
197.06076	4.0
197.13356	2.8
198.06805	2.6
199.03931	3.5
199.07690	2.8
199.11230	1.7
200.04729	3.8
200.08368	2.6
201.05318	3.6
203.07022	4.3
203.10664	21.7
205.08591	2.5
205.10330	2.5
206.05807	4.6
206.11023	2.5
207.08212	3.8
207.10123	4.4
207.11746	4.6
209.09683	8.1
209.13327	7.8
210.10489	2.1
211.07616	2.9
211.11298	2.8
211.14853	2.3
213.05569	2.9
213.09229	4.3
215.03561	2.2
215.07111	4.9
216.04216	2.5
216.07802	4.5
217.05141	2.9
217.08549	22.4
218.11049	1.7
219.06477	2.5
219.11781	6.9
220.08931	2.7
220.12402	2.2
221.09682	5.5
221.11523	2.7
221.13406	4.2
223.07585	3.4
223.11180	3.0
223.14799	3.9
224.08397	2.8
225.09154	6.4
225.12720	1.8
226.06268	2.0
227.03522	1.7
227.10597	2.5
228.04193	4.7
229.04953	4.6
231.06671	3.3
231.10081	38.0
232.03667	2.0
232.10872	20.0
233.08188	6.0
233.13335	3.6
234.13943	1.9
235.07623	2.0
237.09167	5.4
237.12749	2.4
237.16423	2.5
238.09880	3.7
239.10692	4.0
241.08672	4.0
242.05746	3.6
243.06551	22.7
244.07156	2.5
245.04544	7.7
245.13280	4.1
247.09642	2.6
247.14865	3.6
248.08430	4.6
249.09146	4.2
249.16656	2.3
250.06346	2.1
250.12059	4.6
251.07054	8.6
252.08101	2.2
252.81847	2.0
255.06741	2.7
255.10190	2.1
257.04681	2.2
257.08093	3.3
258.09152	2.0
259.06036	6.4
259.09503	2.0
260.06891	2.2
261.16000	2.0
261.18558	8.0
263.14734	2.3
263.17953	3.6
265.08722	6.3
266.05786	1.7
267.08780	6.8
269.08185	5.3
270.05334	3.2
271.05969	10.0
272.06772	3.2
273.04099	4.3
273.11176	3.0
273.16394	1.7
275.05615	6.9
275.09067	4.0
276.07840	11.3
277.08466	12.7
278.09479	3.9
279.06631	10.5
280.07312	4.2
280.14462	2.4
281.08044	5.2
281.11893	3.1
282.05240	2.3
283.09720	3.2
284.06671	1.9
285.07715	4.5
287.05457	2.7
287.09299	2.3
288.06213	6.6
289.06985	2.9
293.08057	8.0
294.08813	8.1
295.09622	12.3
296.06979	2.7
297.07693	7.1
298.08505	2.7
299.05630	3.7
299.12524	2.3
301.10840	3.3
303.05304	4.0
303.08591	21.0
308.07001	2.3
308.10547	6.0
309.11212	9.5
310.11987	12.4
311.09018	11.2
312.09988	3.9
313.10751	4.0
315.08664	2.2
317.06595	2.3
322.08521	7.9
323.09235	7.1
325.07147	2.4
325.10736	2.5
327.12421	5.5
329.10205	4.8
331.08334	2.1
333.09735	4.3
335.11359	8.7
336.10062	7.1
337.10681	33.6
338.11496	9.6
339.08780	7.2
341.10080	3.0
341.13620	10.1
343.11786	3.5
354.10849	4.2
355.11652	10.0
356.12292	3.2
357.09525	2.8
359.15189	4.5
359.19766	2.8
361.12845	20.8
369.13290	62.1
370.13675	5.8
373.12909	4.0
375.14526	3.3
386.13770	1.9
387.14542	5.9
389.12305	2.9
391.17731	2.1
391.22363	2.0
401.16141	10.4
401.21182	6.8
404.14789	5.3
419.17105	100.0
419.22021	15.7
419.26605	19.5
420.17487	10.1
420.22296	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.17
Annotation	(-)-Lirioresinol A
Peak:m/z	Relative Intensity
53.03942	7.6
54.02291	2.5
55.01867	2.5
57.07070	3.4
63.31850	2.2
67.05492	4.8
68.99773	3.9
69.07056	6.2
69.57191	13.9
71.04989	4.4
74.76803	2.1
75.04478	4.6
75.81760	2.1
75.92343	2.7
79.05502	7.2
81.00542	2.4
81.07056	6.8
82.88909	2.1
83.04953	5.6
85.06538	5.6
88.60291	2.2
89.55215	2.4
91.04964	2.2
91.05473	9.0
93.07043	8.0
95.04980	4.5
95.08617	6.6
97.06509	2.8
99.04444	3.1
105.03361	2.5
105.07029	9.5
107.08594	7.0
109.02885	4.7
109.10174	3.7
111.08097	3.6
115.05481	2.7
117.07038	2.5
119.08573	6.8
121.06505	2.8
121.10182	2.9
123.08121	2.9
129.07014	4.9
131.08546	4.4
133.06468	3.2
133.10144	3.6
134.78812	2.3
143.08530	6.6
145.06476	4.2
145.10104	6.5
147.04396	3.0
147.08028	2.9
147.11722	3.3
149.09512	3.0
153.05476	6.2
153.06909	2.6
155.08473	7.2
157.06494	2.5
157.10104	7.4
159.08066	2.7
159.11711	2.3
161.09602	2.8
165.05473	21.1
165.06853	5.2
166.07642	2.6
167.08534	7.0
167.97032	2.3
168.45399	2.4
169.10130	6.8
171.08025	3.1
171.11699	4.4
173.09605	3.1
179.07043	2.9
179.08545	4.2
181.06461	3.3
181.10136	7.7
183.11647	3.0
185.05930	3.3
189.05405	5.5
189.09140	4.0
191.07083	7.5
193.04976	2.6
193.10138	7.5
194.11011	3.4
195.11708	5.3
197.13229	3.4
199.03925	2.8
200.04808	2.4
203.07007	9.2
204.07657	2.8
207.11632	6.1
208.08890	3.2
209.09610	6.8
209.13239	12.4
211.07613	2.8
211.11252	3.6
211.14948	2.6
213.05452	4.5
213.12781	3.2
215.06987	15.6
216.07799	2.9
217.08588	8.0
218.09309	2.7
219.09975	17.4
219.11977	3.9
221.13237	3.4
223.07529	3.1
223.11244	5.6
223.14769	4.1
225.09158	3.7
225.12958	2.6
226.10068	3.1
227.03349	3.8
227.07019	4.1
227.10571	6.0
229.08607	15.5
230.05602	2.5
231.10211	6.3
232.12424	2.6
233.13226	5.7
235.14845	2.7
237.09151	6.0
239.06944	3.0
239.10660	4.2
241.12250	5.8
243.06656	5.0
246.13947	3.3
247.14862	5.7
248.15399	3.2
249.16298	5.1
250.09872	4.8
251.10680	6.1
253.08662	3.1
255.06398	3.0
255.10165	5.8
257.11740	9.0
261.16260	6.7
262.17087	3.8
266.09390	5.3
267.10062	3.3
269.11722	7.5
270.05276	2.7
271.13174	20.4
273.16595	3.0
277.19476	3.3
281.11743	11.8
283.05905	5.4
283.09607	3.9
283.13141	4.7
297.11108	4.2
299.05823	2.9
299.12796	10.8
303.15875	5.9
309.11139	7.0
313.14426	4.5
325.10965	3.9
327.12207	12.6
329.13608	3.0
331.15430	11.6
355.11630	3.3
357.13217	7.2
358.14233	2.7
359.14844	24.7
359.19971	16.0
360.15320	2.8
387.14362	100.0
387.19412	4.9
387.99323	2.6
388.14642	8.6
401.24747	3.8
419.17081	64.3
419.25314	30.6
420.17032	6.3
420.31082	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.5
53.03936	1.2
55.01857	1.3
55.05503	1.9
56.03735	0.4
57.03422	0.5
65.03950	0.7
67.05508	6.1
69.03430	2.7
69.07076	0.6
69.13946	2.6
69.14372	1.3
71.04985	0.7
79.05484	7.0
81.07052	16.2
83.04970	1.4
85.55311	0.5
91.05479	7.3
93.07048	4.1
95.04967	8.1
95.05560	0.8
95.08598	9.3
95.09150	0.7
97.02897	3.9
97.06522	0.6
99.04428	2.7
99.26085	0.4
103.05464	1.1
105.07021	7.4
107.04928	1.2
107.08596	3.3
109.06515	19.7
110.06823	0.4
111.04435	1.1
111.08063	1.5
115.05437	2.5
117.07001	2.2
119.04934	0.5
119.08578	4.8
121.06541	2.3
123.08066	9.3
123.08924	0.6
125.05988	0.6
128.06216	7.9
129.07018	5.4
131.04916	0.7
131.08566	1.8
133.06505	3.8
133.10153	2.9
135.08051	2.2
137.05977	13.4
137.07042	0.8
141.06952	4.7
142.07745	1.2
143.08569	10.0
145.06476	30.7
145.10092	1.2
146.06992	0.7
147.08040	5.5
149.05981	3.1
149.09705	0.5
151.07500	3.1
152.06218	1.2
153.07011	2.9
154.07768	1.7
155.04945	0.5
155.06047	1.1
155.08559	7.9
156.05769	0.5
157.06490	7.7
157.10147	1.3
158.07199	0.9
159.04433	0.7
159.08031	3.4
161.06003	1.3
161.09615	3.8
163.07576	1.4
165.06969	4.0
166.07814	2.7
167.08495	2.9
167.96034	0.5
168.09270	0.9
169.06493	9.5
169.10104	2.7
170.07198	1.7
171.08047	22.6
172.08524	0.7
173.05995	1.8
173.09608	2.3
175.07581	2.0
177.09111	0.8
178.07765	3.3
179.08542	5.7
180.09250	1.6
181.06497	1.9
181.10158	3.7
182.07242	2.5
183.06415	1.1
183.08052	22.2
183.11667	1.3
184.08774	4.7
185.05952	1.9
185.09541	2.4
187.07529	1.0
189.07269	0.6
189.09044	2.1
190.07719	1.5
191.08539	3.4
192.09369	4.2
193.08510	1.0
193.10115	6.9
194.07266	1.3
194.10815	1.5
195.08054	6.4
195.11713	1.9
196.08791	2.5
197.05974	1.1
197.09602	6.5
197.13194	0.5
198.06808	1.0
198.10388	0.6
199.07524	8.9
199.11217	0.9
200.07922	0.5
202.07764	3.5
203.06978	0.7
203.08565	4.1
204.09303	2.4
205.06573	0.9
205.10106	6.4
206.07285	1.8
206.10919	1.8
207.08063	3.7
207.11639	4.4
208.08818	2.7
208.12254	0.7
209.05898	0.6
209.09576	8.0
209.13113	0.9
210.10333	1.6
211.07558	4.9
211.11046	2.5
212.08232	0.8
213.09230	1.2
215.08693	2.1
215.10616	0.6
216.09195	2.2
217.10127	6.9
218.07248	0.8
218.10849	3.6
219.08066	4.1
219.11594	3.3
220.08835	3.9
220.12265	0.7
221.09584	9.6
221.13152	1.1
222.10298	2.0
223.07549	1.3
223.11186	4.6
223.14795	0.9
225.09065	3.9
225.12697	0.8
226.09714	0.5
227.10657	0.9
228.09294	1.4
229.10115	2.2
230.10892	1.9
231.08076	1.8
231.11702	3.2
232.08842	3.9
232.12465	2.0
233.09608	7.7
233.13161	4.0
234.10324	3.3
235.07512	1.3
235.11154	12.1
235.14810	0.6
236.08286	1.1
236.11832	3.1
237.09151	3.4
237.12753	3.4
238.09839	0.9
239.10684	1.8
241.10245	0.8
242.10934	2.6
243.10220	2.6
243.12135	0.9
244.08897	0.8
245.09601	10.4
245.12267	0.6
245.13315	1.1
246.10347	8.3
247.11131	6.1
247.14743	2.8
248.08319	1.8
248.11812	1.8
248.84555	0.5
249.09120	3.4
249.12700	7.6
250.09879	1.3
250.13429	2.3
251.10612	3.4
251.14314	5.1
253.12257	2.1
255.08078	1.0
255.11819	0.9
257.13440	2.4
258.10373	1.1
258.13998	0.5
259.11243	7.6
259.14346	0.6
260.11932	7.9
261.09232	1.3
261.12735	10.8
262.10144	1.0
262.13437	1.5
263.10675	14.6
263.14209	2.3
264.11313	3.4
264.14227	0.5
265.12473	3.9
265.15710	4.1
267.10095	6.1
269.09390	1.0
269.11975	0.6
270.10382	3.0
271.11111	1.5
272.11728	0.6
273.09207	0.8
273.12735	1.6
274.13458	1.5
275.11008	0.9
275.14267	15.3
276.11722	0.6
276.14783	1.7
277.12238	7.1
278.12946	1.6
279.10645	0.9
279.13800	6.6
280.13995	0.6
281.11722	16.2
281.14871	0.5
282.12146	1.3
283.13306	0.6
284.11847	0.9
285.12747	6.5
286.13202	1.3
287.10669	1.5
287.14157	1.1
288.11301	2.4
289.12189	2.3
291.10788	0.7
291.13751	3.0
292.14355	0.6
293.11896	1.1
293.15329	9.4
294.15900	1.3
295.09863	0.9
297.11316	1.6
299.14124	0.8
302.13016	1.3
303.10297	1.0
303.13776	19.0
304.14291	2.3
307.13232	1.0
309.11322	4.3
309.14673	0.9
312.14987	0.8
313.12183	0.6
313.15787	0.8
317.11728	0.8
319.13361	0.9
321.14828	12.3
322.15201	0.8
327.17233	0.7
333.14706	0.7
335.12607	0.6
337.15817	0.6
339.13885	0.8
347.16431	0.7
349.17932	1.3
355.16986	1.3
357.14713	0.9
359.16385	3.7
361.14310	0.9
363.19632	0.8
373.17950	9.3
374.18335	0.7
375.15814	2.4
377.17514	3.7
383.16339	3.5
391.19003	9.1
392.19543	1.1
401.17413	22.1
402.17682	2.6
402.78113	0.5
419.18478	100.0
420.18866	13.0
441.53351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01883	1.8
55.05508	1.2
61.25942	0.4
65.03956	1.4
67.05519	3.7
69.03431	11.4
69.07073	0.6
70.25850	0.5
71.31178	0.5
79.05495	18.1
81.03422	1.2
81.07061	94.6
82.07387	2.3
83.04999	1.0
85.02893	0.7
91.05481	7.6
93.07041	3.6
95.04969	3.2
95.08618	7.9
97.02888	0.4
97.06533	1.1
103.05476	1.1
105.04535	0.7
105.07033	4.9
107.04984	1.2
107.08595	1.5
109.06526	29.5
110.07310	1.7
111.04449	1.2
111.08083	0.6
113.02371	0.7
115.05457	1.8
116.06181	0.5
117.07014	2.4
119.04924	1.1
119.08588	3.4
121.06495	1.9
121.10069	0.7
123.04425	0.7
123.08086	4.6
128.06227	2.4
129.07018	2.9
131.04976	2.6
131.08546	2.7
132.05693	1.1
133.06485	2.0
133.10123	0.9
135.08061	1.3
137.05984	100.0
138.06264	3.1
141.06982	3.2
142.07768	1.6
143.04936	0.9
143.08571	2.6
144.05710	2.8
145.06519	7.0
145.10175	1.3
146.07275	0.7
147.08069	6.2
149.02287	0.5
149.05975	1.0
151.04056	0.5
151.07552	3.7
152.06242	1.1
153.06996	2.0
154.07777	1.0
155.08586	4.8
156.09317	1.1
157.06529	2.9
157.10091	1.4
158.07280	0.9
159.08076	2.8
160.05186	0.6
160.08876	0.7
161.09645	0.6
163.07553	0.8
165.07030	3.9
165.09201	0.8
165.55821	0.5
166.07790	2.7
167.07124	0.8
167.08565	3.6
168.09294	0.9
169.06490	2.1
169.10052	2.7
170.07225	1.4
171.08028	3.5
171.11784	0.9
173.09596	1.8
175.07568	3.3
177.09073	1.3
178.07744	4.7
179.08546	6.0
180.09264	1.4
181.06493	2.0
181.10141	4.1
182.07256	2.0
183.08067	4.4
183.11714	1.0
184.08813	0.9
185.05911	0.9
185.09586	2.1
187.07506	0.6
190.07832	1.1
191.08569	4.6
192.09354	4.7
193.06511	1.1
193.10130	8.1
194.07216	1.5
194.10771	1.0
195.08057	4.9
195.11726	1.4
196.08820	1.2
197.05865	1.2
197.09619	3.2
197.13216	0.7
198.06749	1.0
199.07568	1.1
199.11247	0.9
201.09091	0.7
202.07779	3.0
203.08583	3.0
203.10300	0.5
204.09309	2.0
205.06552	0.7
205.10095	2.2
206.07242	1.1
206.10701	0.9
207.08066	2.3
207.11703	4.9
208.08809	1.7
208.12347	2.3
209.09608	6.2
209.13028	0.7
210.10333	2.1
211.07520	2.1
211.11101	3.4
213.09088	1.3
215.08543	1.3
216.09367	1.3
217.10114	3.9
218.10840	2.0
219.08136	2.2
219.11604	2.1
220.08842	5.0
221.09650	9.6
221.13107	1.2
222.10378	2.6
223.07561	1.2
223.11116	3.1
224.08226	0.9
225.09045	2.0
225.12688	2.7
226.09695	0.6
226.13486	1.1
227.10657	1.6
229.10123	2.5
230.10918	1.3
231.07974	1.1
231.11740	0.7
232.08836	1.0
233.09581	2.0
234.10332	1.7
235.07600	0.7
235.11203	16.2
235.14799	1.2
236.11977	10.5
237.09160	3.1
237.12750	4.1
238.09886	2.5
239.06964	0.9
239.10641	4.5
240.11443	0.8
241.10056	0.7
243.11615	0.9
245.09747	3.2
245.13249	1.2
246.10370	3.7
247.11191	3.0
248.08287	1.5
248.11769	0.6
249.09146	3.1
249.12837	0.9
250.09805	0.6
251.10654	1.1
252.11484	0.8
253.09999	0.4
253.12263	7.6
254.10757	0.6
254.13045	6.5
255.11577	1.0
255.13855	0.6
257.13171	0.9
261.09070	0.8
261.12634	1.3
263.10699	8.5
263.13913	3.3
264.11444	13.6
265.12305	3.0
266.09000	0.6
267.09927	2.3
269.13162	0.6
270.10474	0.8
271.11057	1.0
271.15024	0.6
273.12708	2.0
275.14139	0.8
277.12137	0.8
279.14038	0.8
281.11728	22.0
281.14990	0.7
282.12479	12.9
283.13089	1.6
285.12570	1.3
285.15854	0.7
286.13431	0.6
287.14255	0.5
289.12115	1.1
291.13712	3.0
293.15405	0.6
295.14478	0.8
297.12552	0.7
298.13391	0.6
299.14264	0.5
299.17554	0.8
301.15930	0.5
303.13556	1.2
303.17102	0.5
304.14700	0.6
309.14929	1.6
311.14154	0.8
312.14853	0.7
313.12250	0.8
313.15869	1.7
317.19095	0.7
327.17319	2.9
329.15201	0.7
331.16769	1.3
333.14993	0.6
337.15707	1.9
339.13452	0.6
340.14258	0.9
345.18591	3.0
355.16885	6.0
356.17325	0.9
357.14725	2.1
359.16309	0.9
363.19507	0.8
365.15240	1.1
373.17975	10.3
374.18201	0.6
375.15726	3.3
376.16385	0.8
377.17319	1.2
383.16507	4.0
391.19031	8.4
392.19379	1.1
401.17441	17.0
402.17722	1.6
411.87573	0.6
419.18475	45.4
420.18942	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28585	1.7
52.80119	1.8
57.03434	7.4
57.94188	1.9
68.02325	1.9
69.03435	4.5
69.36939	6.2
69.37366	7.3
75.04485	2.0
75.83748	2.0
79.05488	4.0
80.28645	1.7
84.61248	1.9
85.02893	8.4
90.16547	1.8
91.05478	25.4
97.02899	8.3
103.05465	3.2
105.07026	32.1
107.04949	5.3
108.13803	2.0
109.95628	1.9
115.03945	3.6
115.05437	2.1
122.03649	3.3
125.01721	2.2
133.04971	3.5
133.06479	52.8
137.05969	100.0
138.06277	2.7
145.04918	3.4
163.07561	5.8
165.09108	35.6
169.86739	2.1
175.07549	3.2
177.09009	2.7
181.08626	3.6
183.10188	20.5
202.23628	1.8
203.10730	2.5
221.11758	3.8
239.12799	3.4
257.13797	26.3
284.05444	1.9
322.36282	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98907	1.3
53.03943	1.7
55.01859	2.3
57.03430	6.6
69.62885	6.2
69.63293	2.9
74.16586	1.6
75.04482	2.4
79.05489	4.5
81.32178	1.4
85.02904	3.5
86.09703	1.7
94.04162	1.9
98.22528	2.1
103.05451	6.3
105.07030	30.3
105.22726	1.4
107.04280	2.3
107.04954	30.1
110.63031	1.6
121.06532	2.2
122.03613	3.8
131.04936	9.9
133.06490	64.7
137.05974	100.0
138.06323	3.5
147.04407	2.6
149.06009	1.9
163.07523	13.5
165.09106	37.7
166.09431	1.9
170.53856	1.5
172.01158	1.5
175.07556	4.0
177.05417	2.9
181.08661	2.7
183.10165	25.4
190.12788	1.7
193.08633	2.0
203.10674	2.9
205.04895	2.9
205.08592	2.1
221.11673	4.8
223.09703	2.3
235.05986	2.9
236.36801	1.6
239.12820	2.9
257.04681	2.6
257.13834	27.9
258.14188	2.3
266.10159	1.8
327.93405	1.5
330.03973	1.7
341.10025	3.6
353.10291	2.5
365.10461	2.3
405.71552	1.5
419.07355	3.5
419.19440	8.3
422.02725	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2063
Annotation	Rhaphidecursinol A
Peak:m/z	Relative Intensity
50.70979	0.5
53.03941	1.2
55.01876	1.4
55.05499	2.7
65.03938	2.1
67.05500	3.4
69.03422	1.3
69.07069	4.6
71.30428	0.9
77.83979	0.6
78.04710	2.4
79.05499	5.3
81.03410	1.0
81.07056	8.6
82.07363	0.6
83.04964	3.9
85.02891	1.5
85.06577	0.7
89.88587	0.6
91.05473	8.0
93.03384	0.7
93.07036	3.6
94.04192	1.2
95.04970	15.0
95.08617	3.8
95.48249	0.6
97.06527	1.3
98.60661	0.6
103.05455	2.7
105.03366	1.4
105.07048	6.2
106.04172	2.2
107.04971	5.2
107.08587	2.6
109.02847	1.0
109.06553	3.9
109.10162	2.5
110.03649	1.1
111.00629	0.7
111.04426	1.8
111.08135	1.0
115.05441	2.6
117.07001	2.6
119.04917	2.1
119.08588	1.9
120.05725	1.7
121.06490	6.7
121.10147	1.2
122.03633	1.5
123.04430	9.1
123.08066	2.3
123.11739	0.9
124.05179	2.5
125.05978	4.0
126.06683	0.7
127.07606	0.7
128.06216	1.1
129.06996	1.3
130.07808	4.3
131.04904	2.1
131.08531	3.1
133.02864	1.0
133.06500	2.6
133.10138	1.9
134.03661	1.6
134.07326	0.7
135.04376	1.6
135.08054	10.0
136.05211	4.1
137.05969	8.5
138.03107	1.0
138.06761	7.9
139.03912	1.3
139.07529	2.4
140.04663	2.8
141.05446	2.7
141.07022	1.0
142.07777	0.9
143.08578	3.6
145.06459	1.5
145.10147	3.5
146.07216	1.6
147.04404	4.2
147.08038	2.7
147.11636	1.1
148.05179	8.7
149.05954	2.2
150.06770	1.1
151.03876	3.4
151.07515	5.9
152.04694	5.7
153.05444	1.9
153.09047	0.8
154.06252	9.0
155.07001	6.0
155.08507	1.8
157.06497	1.2
158.07269	7.3
159.08083	1.9
159.11662	1.1
161.05962	2.1
161.09627	1.0
162.06738	2.8
163.07562	5.1
163.11142	1.4
164.08153	0.8
165.05457	6.1
165.09099	1.6
166.02580	0.9
166.06256	15.5
167.07039	71.6
168.07661	4.5
169.08626	12.9
169.10020	1.8
171.06554	2.2
171.08054	3.1
171.11647	0.7
173.09608	19.1
174.09927	0.7
175.07507	1.3
177.05342	0.9
177.09114	4.1
178.09883	6.9
179.07059	4.4
179.08401	1.1
179.10641	1.0
180.07796	4.7
181.05002	29.1
181.08588	100.0
182.05266	0.9
182.08920	4.4
183.06525	8.4
183.07985	1.2
186.06537	0.8
187.07495	2.0
189.09071	2.1
191.10649	2.3
193.08606	1.8
194.09360	7.5
195.06537	5.8
195.10150	29.6
196.10442	1.0
197.08086	6.9
197.09721	1.0
201.09099	48.6
202.09645	5.7
203.06964	0.9
203.10368	0.7
205.08546	0.8
205.12189	1.4
207.10069	1.3
209.11713	23.7
209.13211	0.9
210.12090	1.7
211.09573	1.2
213.08965	0.9
213.12447	0.8
216.11462	17.2
217.08534	3.1
217.11952	1.4
218.09346	2.1
219.10178	1.9
221.09781	0.7
221.11603	1.2
223.13339	1.8
225.09023	0.9
225.11038	1.4
232.10934	4.8
233.11691	30.7
234.12093	1.8
235.11066	0.8
237.12752	0.9
237.14696	3.1
247.11159	0.9
247.13286	19.4
249.11241	0.9
251.12758	23.5
252.13025	1.1
263.10657	1.3
263.14362	0.8
265.14343	19.3
265.82559	0.8
266.14615	1.3
281.11810	1.3
282.12518	0.8
287.05612	1.3
291.13553	0.7
323.12671	0.7
338.15189	1.0
355.15405	1.1
365.15063	0.7
369.16931	1.6
370.18112	1.2
387.18002	1.8
401.19589	2.7
419.19730	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.4
54.48304	3.2
69.07070	5.6
69.08908	23.6
69.09322	12.3
70.27770	3.4
81.03392	4.0
81.07054	6.3
89.30756	4.0
91.05499	10.8
93.07043	6.0
105.07039	7.2
109.02827	5.9
109.06533	4.7
152.47008	4.1
153.82249	4.0
159.08069	4.3
181.06540	3.9
191.10719	4.7
193.10155	6.8
197.05977	5.1
207.11713	4.4
210.06483	4.0
211.07591	4.4
215.06868	5.9
217.10345	4.2
218.90471	3.9
219.08212	4.2
219.10014	4.3
221.09561	4.2
221.13257	5.0
223.11398	4.9
225.05533	4.9
225.09067	5.0
226.06192	6.0
227.06923	5.4
229.08473	8.2
233.09697	6.0
239.07022	9.0
239.10674	4.7
240.07874	4.8
241.04984	4.3
241.08534	7.1
243.06537	12.3
248.08429	6.1
249.09084	6.6
251.10637	7.7
253.08551	13.0
254.05479	4.5
255.06546	9.1
256.07315	6.1
257.08041	14.1
262.09885	4.5
263.10669	12.9
263.17834	5.1
264.11392	7.1
265.08588	9.4
267.06516	13.1
267.10056	6.3
268.07257	5.1
269.08069	10.2
270.08774	10.7
271.06247	6.6
271.09607	9.8
273.07520	4.2
277.12073	6.3
278.13159	7.1
279.10159	16.2
279.13330	5.3
280.10870	17.5
281.08133	15.8
282.08807	14.4
283.06024	6.6
283.09460	4.9
284.10294	4.9
285.07562	11.7
285.10818	7.1
286.08261	5.3
287.05713	5.2
287.09030	9.3
291.10193	11.1
292.10690	9.4
293.11407	7.9
294.08951	4.0
294.12482	10.5
295.09885	9.4
295.13272	32.2
296.10394	15.4
296.13623	5.7
297.07593	9.5
298.08392	12.1
299.09100	16.4
300.09839	5.9
301.10562	8.9
302.07910	11.6
302.11139	4.9
303.08704	9.4
306.12320	13.0
307.09872	8.8
307.13199	8.6
308.10294	10.4
309.11249	11.8
309.14905	16.8
311.12689	8.2
312.09738	8.3
313.10660	29.2
314.11414	9.2
315.08691	6.9
315.12119	9.7
316.09335	6.2
317.10135	21.5
318.10977	38.4
322.11993	11.0
323.12747	51.6
324.13214	9.7
325.10657	5.0
327.12320	22.2
327.15802	6.1
328.12985	17.6
330.10907	5.2
331.11566	9.6
332.12482	37.0
333.13223	15.5
337.14346	49.3
338.15030	36.4
339.12189	15.3
339.15884	15.2
340.12918	6.0
341.17548	22.5
345.13300	20.6
354.14569	16.6
355.15491	40.4
356.15872	6.3
359.14865	22.4
359.19977	11.3
369.16946	60.0
370.13351	6.6
370.17719	100.0
371.18283	11.6
386.17233	18.8
401.19626	71.9
402.19852	6.9
419.25748	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2065
Annotation	Gomisin H
Peak:m/z	Relative Intensity
57.25019	1.1
67.92225	1.2
69.36826	6.7
71.88741	1.1
75.04489	1.6
80.34518	1.2
87.77823	1.2
89.21971	1.3
93.35298	1.4
166.74034	1.4
167.22371	1.2
181.08548	1.5
187.07594	1.3
189.09262	2.2
202.09836	2.1
209.06047	1.3
211.07513	2.2
222.04182	1.3
224.28943	1.2
227.07059	5.7
233.09642	2.3
235.07477	1.7
235.11142	2.3
237.09068	1.9
238.06110	1.8
239.06998	2.3
241.08600	1.6
249.09024	2.5
250.09769	1.7
251.07024	1.7
251.10620	2.6
253.08597	2.7
255.06615	3.4
255.09973	1.4
256.07159	2.1
257.08157	3.2
261.09204	2.0
262.22760	1.3
263.10782	2.6
264.11310	3.4
265.08606	4.4
267.06442	1.8
268.07404	1.9
269.08170	2.6
270.08771	3.5
271.05994	1.4
271.09570	1.6
273.07568	1.7
277.08609	2.9
278.09488	1.9
279.10172	6.3
279.13806	7.8
280.11032	3.4
281.08267	3.1
281.11603	2.6
283.05850	2.1
285.07370	1.9
285.11084	2.0
287.09122	2.2
291.10135	2.5
292.10883	3.7
293.08142	4.0
293.11798	5.9
294.08820	2.1
294.12219	2.1
295.09888	3.3
295.13312	11.3
296.10519	2.7
296.13748	2.4
297.07715	1.5
297.11169	3.3
298.08658	1.3
298.11914	1.7
299.09088	6.3
301.07391	1.9
301.10526	6.0
302.11530	2.6
306.12701	1.5
307.09875	2.8
307.13266	8.7
308.10425	3.6
308.14069	10.1
309.11118	6.6
309.14621	2.5
310.12045	2.3
310.15585	4.7
311.09235	2.3
311.12744	5.0
312.13458	2.3
313.10696	4.7
314.11478	2.7
316.09448	1.7
317.09924	1.7
318.10828	2.0
323.12732	14.9
324.13373	7.8
325.10800	2.8
327.12427	1.8
327.15891	2.8
329.09991	2.0
331.11758	8.0
337.14221	4.1
338.15207	11.5
339.12210	9.6
339.15933	18.1
340.12769	3.7
340.16364	2.3
341.13721	2.1
341.17493	1.9
345.13251	2.8
354.14636	4.1
355.15372	26.7
356.15942	3.0
358.14111	1.8
359.15042	2.0
369.16986	37.8
370.17734	100.0
370.40356	1.5
371.14197	2.4
371.18631	10.6
386.17075	9.4
401.19580	58.3
402.19989	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.0
67.05520	7.2
69.07064	5.4
79.05498	7.8
80.42637	2.9
81.07059	12.7
81.54613	3.6
83.08593	3.5
91.05506	12.4
93.07060	11.1
95.04967	7.7
95.08629	9.7
98.23352	7.3
99.04460	4.1
105.07041	17.6
107.04968	3.5
107.08624	6.7
109.06540	4.1
109.10153	4.1
115.05528	5.4
117.07053	9.3
119.08598	7.9
121.10124	4.8
122.23179	3.1
129.06984	9.3
131.08598	9.3
133.06461	4.3
133.10130	6.9
135.08032	4.4
137.06024	6.3
139.07582	4.0
141.06998	8.4
143.08548	11.4
145.10161	8.9
153.06992	8.0
154.07826	3.7
155.08638	16.5
157.06525	4.7
157.10135	8.9
159.08101	9.0
161.09639	8.6
164.74130	3.3
165.07098	6.3
167.07104	6.0
167.08627	5.8
169.06480	4.4
169.10072	8.4
171.08073	7.3
173.09630	10.5
179.08525	7.8
180.09224	3.4
181.05003	4.3
181.06505	6.8
181.08659	5.2
181.10152	6.2
182.07265	3.7
183.08115	7.6
183.11696	4.2
189.08977	3.9
191.10632	6.0
193.10237	8.0
195.08081	7.4
195.11761	4.9
197.09572	16.5
199.11232	12.6
201.09242	3.9
203.08632	3.9
203.10756	5.7
205.10162	4.4
209.09586	8.3
211.07596	9.9
211.11307	16.1
213.09109	7.1
213.12679	7.3
218.10974	4.0
223.11212	9.7
225.05534	4.1
225.09087	9.5
225.12732	5.2
227.07173	12.3
229.08580	5.4
233.13396	4.2
235.11140	9.8
237.09201	4.1
239.07047	7.3
239.10619	6.3
240.07860	6.9
241.08537	12.4
242.05800	5.8
242.09180	4.6
243.06554	13.7
243.11780	3.8
249.09158	7.9
250.09898	4.3
251.10710	9.3
253.05048	6.3
253.08636	11.0
253.12238	13.7
255.06601	9.4
256.07333	6.3
257.08118	15.8
257.13184	3.7
258.08823	7.5
259.05981	5.6
261.12662	6.4
263.10757	14.3
264.11511	8.2
265.08643	9.0
265.12128	4.3
267.06418	16.4
267.10144	6.9
268.07361	6.1
269.08163	10.8
270.05618	4.0
270.08713	7.0
271.06046	5.8
271.09805	10.7
272.06955	9.3
275.14359	10.6
277.08667	8.1
277.12170	4.8
278.09476	4.0
278.12967	7.0
279.10190	19.2
279.13705	8.7
280.10934	11.9
281.08063	18.9
281.11963	3.8
282.08917	15.8
284.06842	5.6
284.10226	5.0
285.07587	8.0
285.11148	7.0
286.08362	9.4
287.05530	6.1
287.09131	10.0
287.14294	3.8
291.10159	13.1
292.10907	12.3
293.08173	6.7
293.11673	11.2
294.12225	4.7
295.10062	5.1
295.13312	24.4
296.10480	12.8
297.07657	6.8
297.11069	6.0
298.08429	13.7
299.09207	16.5
300.09976	11.8
301.10657	17.3
302.07816	9.3
303.08725	8.6
306.12546	15.4
307.09570	10.4
307.13037	7.6
308.10422	8.0
308.13947	4.9
309.11273	12.5
309.14935	16.0
310.15649	9.5
311.12875	6.3
312.10025	12.3
313.10764	35.2
314.11438	12.2
315.08804	4.9
315.12204	13.7
317.10196	28.6
318.11011	32.6
321.11227	5.7
322.11996	12.9
323.12766	49.8
324.13412	11.5
325.10529	5.3
327.12265	24.8
327.15723	5.4
328.12915	18.6
329.10339	7.0
330.11032	8.5
331.11783	10.5
332.12524	43.8
333.13220	11.9
337.14307	54.3
338.15201	30.1
339.12222	17.6
339.15967	12.5
340.12863	6.4
341.17450	20.3
344.12415	4.7
345.13434	23.8
354.14618	9.2
355.15369	30.0
356.15939	5.1
357.18301	5.4
359.14923	24.5
359.19089	3.5
360.14948	4.9
365.18948	9.5
369.16913	55.8
370.17685	100.0
371.14478	7.5
371.18530	8.0
372.15607	5.7
383.20007	39.4
384.20331	6.8
386.17282	18.5
401.19888	80.2
402.21075	7.5
419.22427	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00504	2.0
61.32767	1.9
65.03934	2.4
65.52427	2.2
65.88416	1.8
67.05509	4.3
67.63010	1.9
69.07069	6.7
71.31972	3.2
71.32330	2.3
78.04716	3.0
79.05493	3.2
81.07082	3.8
91.05491	9.5
93.07072	5.6
95.04973	28.6
95.08624	4.6
97.06513	2.5
103.05434	2.1
105.03397	5.3
105.07053	10.0
106.04206	3.4
107.04959	4.8
109.06533	3.7
113.19480	2.0
115.05473	3.4
117.07024	2.0
119.08625	3.5
121.06509	8.6
123.04446	13.2
128.06223	3.3
130.07773	7.1
131.08607	2.4
133.02776	2.0
133.06477	2.8
133.10220	2.9
134.03619	3.1
135.04395	2.6
135.07996	10.2
136.05215	3.7
137.05983	6.1
138.06772	13.8
139.07550	3.5
140.04683	6.6
141.05447	6.0
142.07710	2.3
143.08592	8.2
144.08975	2.2
145.10133	6.1
147.04382	2.7
147.08101	2.4
147.11696	3.0
148.05212	6.4
149.09659	2.4
150.06757	3.8
151.03954	3.8
151.07538	5.3
152.04720	6.2
153.05484	2.1
154.06241	15.3
155.07068	11.5
155.08441	3.1
157.06473	2.6
158.07280	17.8
159.08064	2.8
162.06676	2.9
163.07602	6.0
165.05525	8.0
165.09100	2.9
166.06296	23.3
167.07047	80.7
168.07481	3.0
169.08594	24.5
171.08008	3.4
171.11725	3.4
172.12141	3.0
173.09608	34.9
173.10954	3.2
175.03827	2.6
175.07584	2.7
177.09053	3.6
178.09894	4.3
179.07066	2.7
180.07843	8.0
181.05092	11.5
181.08603	100.0
182.08995	4.6
183.06496	16.4
187.07446	2.6
191.10626	2.4
193.08479	3.3
194.09383	3.8
195.06573	3.2
195.10181	36.0
197.08138	12.5
201.09105	95.2
202.09746	8.3
207.10117	2.9
209.11639	14.1
216.11461	38.9
217.08543	3.5
217.12062	3.2
219.06537	4.3
219.09985	3.1
225.11095	2.8
228.23297	2.0
232.11005	6.8
233.11742	56.7
233.13983	3.4
234.12129	3.3
236.15268	2.1
247.13263	35.4
248.13693	3.7
251.12732	22.4
265.14368	11.7
279.20135	2.8
401.19650	4.3
419.17877	2.6
419.28531	13.8
420.27264	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.5
61.20154	2.8
64.07221	2.6
65.03933	3.3
67.05502	3.6
69.07051	5.1
69.10294	16.9
69.10698	4.4
70.79615	2.1
74.25999	2.3
78.04726	2.5
79.05477	4.1
81.07066	3.6
91.05490	9.3
93.03409	3.2
93.07046	4.8
95.04967	21.3
95.08592	5.1
98.23374	5.1
105.03374	3.6
105.07035	8.5
107.04952	4.2
109.06524	2.5
109.10172	2.5
112.04893	2.1
115.05489	2.3
117.07052	3.0
121.06525	7.6
123.04435	11.9
123.08014	2.6
124.05158	3.3
128.06224	3.9
130.07788	5.4
131.08514	3.1
133.10158	2.8
135.08029	5.5
136.05190	4.7
137.05980	5.9
138.06776	8.3
139.07539	2.6
140.04715	6.3
141.05475	3.8
141.06993	2.9
143.08582	7.8
145.10138	10.0
147.04344	2.6
148.05191	5.6
151.03876	5.6
151.07530	5.6
152.04677	5.8
153.05411	4.7
154.06227	10.8
155.07050	9.3
155.08452	3.4
155.16447	2.2
158.07210	12.4
162.06818	3.2
163.07541	2.7
165.05440	5.9
166.06252	19.5
167.07043	76.7
167.99040	2.4
169.08635	17.6
171.08052	3.1
171.11746	2.8
173.09618	33.6
175.07530	4.1
177.91878	2.3
180.07800	4.6
181.05028	15.2
181.08583	100.0
182.08936	4.7
183.06558	13.5
194.09384	6.0
195.06480	2.8
195.10144	39.7
195.11748	4.1
197.08069	12.0
201.07207	4.7
201.09100	87.5
202.09750	8.1
206.85512	2.6
209.11688	18.4
216.11461	29.4
217.08580	4.6
219.06523	3.2
232.10976	7.5
233.11737	55.3
234.12010	4.3
235.11293	2.5
247.13261	34.8
251.12735	19.1
255.65984	2.5
265.14316	14.2
279.17361	2.6
337.13412	2.6
369.17181	4.1
377.50803	2.5
401.19598	4.1
419.29382	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70979	0.5
53.03941	1.2
55.01876	1.4
55.05499	2.7
65.03938	2.1
67.05500	3.4
69.03422	1.3
69.07069	4.6
71.30428	0.9
77.83979	0.6
78.04710	2.4
79.05499	5.3
81.03410	1.0
81.07056	8.6
82.07363	0.6
83.04964	3.9
85.02891	1.5
85.06577	0.7
89.88587	0.6
91.05473	8.0
93.03384	0.7
93.07036	3.6
94.04192	1.2
95.04970	15.0
95.08617	3.8
95.48249	0.6
97.06527	1.3
98.60661	0.6
103.05455	2.7
105.03366	1.4
105.07048	6.2
106.04172	2.2
107.04971	5.2
107.08587	2.6
109.02847	1.0
109.06553	3.9
109.10162	2.5
110.03649	1.1
111.00629	0.7
111.04426	1.8
111.08135	1.0
115.05441	2.6
117.07001	2.6
119.04917	2.1
119.08588	1.9
120.05725	1.7
121.06490	6.7
121.10147	1.2
122.03633	1.5
123.04430	9.1
123.08066	2.3
123.11739	0.9
124.05179	2.5
125.05978	4.0
126.06683	0.7
127.07606	0.7
128.06216	1.1
129.06996	1.3
130.07808	4.3
131.04904	2.1
131.08531	3.1
133.02864	1.0
133.06500	2.6
133.10138	1.9
134.03661	1.6
134.07326	0.7
135.04376	1.6
135.08054	10.0
136.05211	4.1
137.05969	8.5
138.03107	1.0
138.06761	7.9
139.03912	1.3
139.07529	2.4
140.04663	2.8
141.05446	2.7
141.07022	1.0
142.07777	0.9
143.08578	3.6
145.06459	1.5
145.10147	3.5
146.07216	1.6
147.04404	4.2
147.08038	2.7
147.11636	1.1
148.05179	8.7
149.05954	2.2
150.06770	1.1
151.03876	3.4
151.07515	5.9
152.04694	5.7
153.05444	1.9
153.09047	0.8
154.06252	9.0
155.07001	6.0
155.08507	1.8
157.06497	1.2
158.07269	7.3
159.08083	1.9
159.11662	1.1
161.05962	2.1
161.09627	1.0
162.06738	2.8
163.07562	5.1
163.11142	1.4
164.08153	0.8
165.05457	6.1
165.09099	1.6
166.02580	0.9
166.06256	15.5
167.07039	71.6
168.07661	4.5
169.08626	12.9
169.10020	1.8
171.06554	2.2
171.08054	3.1
171.11647	0.7
173.09608	19.1
174.09927	0.7
175.07507	1.3
177.05342	0.9
177.09114	4.1
178.09883	6.9
179.07059	4.4
179.08401	1.1
179.10641	1.0
180.07796	4.7
181.05002	29.1
181.08588	100.0
182.05266	0.9
182.08920	4.4
183.06525	8.4
183.07985	1.2
186.06537	0.8
187.07495	2.0
189.09071	2.1
191.10649	2.3
193.08606	1.8
194.09360	7.5
195.06537	5.8
195.10150	29.6
196.10442	1.0
197.08086	6.9
197.09721	1.0
201.09099	48.6
202.09645	5.7
203.06964	0.9
203.10368	0.7
205.08546	0.8
205.12189	1.4
207.10069	1.3
209.11713	23.7
209.13211	0.9
210.12090	1.7
211.09573	1.2
213.08965	0.9
213.12447	0.8
216.11462	17.2
217.08534	3.1
217.11952	1.4
218.09346	2.1
219.10178	1.9
221.09781	0.7
221.11603	1.2
223.13339	1.8
225.09023	0.9
225.11038	1.4
232.10934	4.8
233.11691	30.7
234.12093	1.8
235.11066	0.8
237.12752	0.9
237.14696	3.1
247.11159	0.9
247.13286	19.4
249.11241	0.9
251.12758	23.5
252.13025	1.1
263.10657	1.3
263.14362	0.8
265.14343	19.3
265.82559	0.8
266.14615	1.3
281.11810	1.3
282.12518	0.8
287.05612	1.3
291.13553	0.7
323.12671	0.7
338.15189	1.0
355.15405	1.1
365.15063	0.7
369.16931	1.6
370.18112	1.2
387.18002	1.8
401.19589	2.7
419.19730	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.2
69.07064	1.9
69.57033	8.0
71.74719	1.4
75.04463	1.6
83.04974	8.1
86.00272	1.3
86.69946	1.5
137.56409	1.5
147.08154	1.6
149.05959	2.6
165.07047	1.6
181.08559	1.5
185.05902	1.8
185.09621	1.5
187.07739	1.6
195.08038	1.7
197.05878	1.8
199.07428	1.4
207.11420	1.5
209.09566	1.5
211.07452	2.0
219.08099	1.7
225.05502	2.1
225.09093	2.1
226.06261	2.0
227.10602	1.5
229.08560	2.9
233.09610	2.1
237.09138	1.6
239.07037	2.8
240.07784	2.5
241.08627	3.6
242.05882	1.8
243.06552	4.3
248.08313	2.0
249.09035	2.8
251.06956	2.2
252.07761	2.0
253.08488	3.8
255.06578	3.1
255.10115	3.3
257.07941	3.1
258.08905	2.8
261.09091	3.8
263.10666	2.9
264.08109	1.6
265.08466	2.2
267.06467	4.7
269.08136	3.5
270.08804	2.1
271.06055	3.5
271.09570	2.9
275.10461	1.9
277.08707	2.8
277.12027	2.1
278.09250	2.2
279.10260	5.8
279.13657	1.8
280.10883	5.9
281.08179	3.8
281.11304	1.5
282.08820	4.4
283.09451	1.7
285.07574	3.8
285.11157	2.5
286.08490	1.6
287.05789	2.1
287.09210	2.1
290.09592	1.6
291.10132	4.6
292.10919	4.0
293.11563	2.8
294.12561	2.6
295.09918	2.6
295.13077	7.8
296.10477	5.1
297.07840	1.9
298.08514	2.5
299.09192	6.2
301.10767	5.3
302.07712	1.7
303.08954	2.6
303.13828	2.0
304.10931	2.8
306.12512	3.9
307.09778	2.7
307.13239	4.7
308.10339	5.0
308.13611	2.0
309.11224	3.5
309.14923	4.5
310.15479	2.6
311.12842	2.8
312.09955	3.1
313.10785	11.8
314.11560	3.2
315.09677	2.8
316.39426	1.6
317.10590	6.8
317.15207	2.0
318.11221	9.8
321.11374	2.4
322.12048	5.2
323.12704	15.3
324.13370	3.4
326.14963	2.2
327.12405	9.9
327.15897	2.9
328.13379	3.1
329.11703	6.5
330.12347	2.3
331.09232	3.0
331.12891	2.7
332.12698	13.5
333.13589	2.5
337.14319	20.3
338.15027	11.0
339.12207	3.3
339.15869	5.8
340.12741	3.1
341.17477	6.0
343.09451	2.7
343.13263	3.1
344.14038	3.1
345.14014	8.9
347.12640	3.7
354.14810	3.0
355.15433	11.4
357.11099	7.6
357.15143	2.4
358.11981	4.9
359.15170	6.4
360.09830	2.9
361.10574	5.4
361.14465	8.0
362.14975	3.3
363.12128	4.1
369.17072	19.5
370.17734	27.8
371.14182	1.6
371.18567	3.1
372.13864	3.4
373.14279	10.9
374.15274	4.0
375.12045	8.9
376.12769	3.3
376.17035	3.2
377.17596	2.9
386.17169	6.0
387.15747	8.2
388.16803	7.1
389.13464	12.2
390.14435	5.5
391.19080	6.0
401.19592	28.1
402.19952	2.8
404.16089	10.5
405.16925	21.5
419.18509	100.0
420.19180	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2216
Annotation	Descinolone acetonide
Peak:m/z	Relative Intensity
53.03928	3.6
55.01853	2.3
55.05274	1.0
55.05510	10.5
58.18700	1.1
65.03923	2.2
66.17583	1.2
67.05506	11.3
69.03403	4.3
69.07043	2.4
71.04990	1.1
71.30807	1.8
79.05515	7.0
79.05882	1.6
81.07064	6.5
83.04981	32.0
83.20916	1.0
91.05482	16.9
93.07047	18.5
95.04951	5.8
95.08064	1.2
95.08611	19.0
97.06499	2.2
103.05474	1.1
105.04466	1.2
105.07040	14.7
107.04954	2.3
107.08580	6.0
109.06501	2.1
109.10095	1.6
111.04430	16.8
111.08081	9.0
113.05993	1.4
115.05418	2.5
116.06258	1.6
117.06976	4.8
119.04905	2.5
119.08585	17.3
121.06513	7.4
121.10131	1.8
123.04429	1.1
123.08035	4.3
128.06200	7.0
129.07013	15.8
131.04880	1.4
131.08563	11.3
133.06509	5.5
133.07341	0.9
133.10139	10.5
135.08069	2.5
139.07523	4.4
141.07028	6.5
142.05098	1.1
142.07747	4.6
143.08557	10.6
144.09258	1.5
145.06508	5.0
145.10143	6.9
145.15129	1.1
147.08015	4.9
147.11726	5.9
149.09561	1.3
152.06189	4.8
153.06944	4.3
154.07750	2.2
155.08551	12.2
156.09358	5.2
157.06491	13.5
157.10130	11.2
159.08128	5.0
159.11671	3.9
161.09583	4.2
165.06999	9.1
166.07733	4.6
167.08565	15.3
168.09270	2.7
169.10135	8.6
170.10905	2.3
171.08011	6.4
171.11668	4.4
173.05978	1.8
173.09555	3.5
175.07516	9.2
175.11140	4.2
178.07785	5.1
179.08578	13.3
180.09351	6.0
181.06459	1.6
181.10103	10.8
182.07281	2.5
182.10855	3.5
183.07959	4.0
183.11653	7.1
184.12381	1.6
185.09572	3.5
185.13174	2.6
186.10208	1.3
187.07497	2.1
187.11198	2.3
189.06941	1.2
190.07813	1.6
191.08583	5.3
191.10049	1.1
192.09338	5.8
193.10175	13.2
194.07220	1.7
194.10886	6.3
195.08070	16.0
195.11676	7.9
196.08521	1.2
196.12260	1.9
197.09627	6.2
197.13220	4.3
199.11185	2.5
201.09052	1.3
202.07729	2.5
203.08531	5.6
204.09299	5.4
205.10109	11.8
206.10886	7.3
207.08165	5.5
207.11646	11.7
208.08846	1.8
208.12340	4.8
209.09641	6.9
209.11658	1.1
209.13274	13.2
210.10252	1.5
211.07652	1.4
211.11093	4.0
211.14752	3.7
213.09085	6.8
213.12650	1.9
215.08533	3.1
216.09177	3.6
217.10120	8.9
218.10936	6.2
219.07990	2.8
219.11665	14.5
220.12518	6.3
221.09705	1.7
221.13249	11.6
222.10246	1.6
222.13852	2.2
223.11235	5.0
223.14722	4.9
224.11771	1.1
225.09138	23.6
225.12660	3.3
225.16199	1.2
226.09546	2.0
227.10538	3.0
227.14188	2.8
229.10045	4.8
230.10818	4.9
231.07973	2.6
231.11678	11.8
232.08665	3.0
232.12399	5.4
233.09698	5.2
233.13243	12.9
234.10229	2.5
234.13885	4.6
235.11053	3.6
235.14812	9.9
236.12007	2.0
236.15387	1.9
237.09082	1.9
237.12682	4.5
237.16151	1.8
239.10547	1.5
239.14238	4.0
242.10838	1.5
243.11717	6.7
244.12344	4.4
245.09657	6.1
245.13249	9.5
245.15414	1.7
246.10420	5.7
246.13980	7.1
247.11237	8.0
247.14848	9.2
248.11746	3.5
248.15309	2.1
249.09055	1.3
249.12781	5.7
249.16229	4.2
251.10739	2.4
251.14290	3.2
253.12260	2.8
256.12143	1.3
257.09500	2.4
257.13205	2.6
258.10358	2.4
258.13785	2.3
259.11221	6.1
259.14737	8.7
260.11853	5.8
260.15408	2.4
261.12766	12.7
261.16275	9.3
262.13324	4.9
263.10583	1.8
263.14157	8.3
263.17932	5.0
264.11566	1.6
264.14468	1.4
264.18582	2.0
265.12198	3.2
265.15753	1.6
269.13086	3.3
271.11029	1.5
271.14789	3.4
272.11990	5.4
273.12582	6.2
273.16281	3.1
274.13419	2.9
274.16998	3.3
275.14203	4.5
275.17532	5.2
276.15082	1.1
276.18530	2.1
277.12082	3.4
277.15787	4.5
277.19144	1.9
278.12848	2.1
279.13678	8.2
279.16705	2.0
281.12613	1.2
281.15375	2.1
285.12720	2.2
285.16248	2.0
287.11462	1.4
287.14310	11.8
288.14734	2.6
289.12311	2.3
289.15732	8.1
289.18677	1.7
291.13644	3.8
291.17215	6.2
296.11905	1.2
299.14243	1.3
301.15665	4.3
302.16675	9.0
303.17148	2.8
304.14670	1.4
305.15463	12.3
307.16956	5.4
309.18613	2.5
313.15704	2.4
313.19055	1.5
319.16751	4.9
320.17715	9.9
321.18213	3.2
327.17328	2.2
331.16605	1.9
341.18915	1.6
355.20352	3.2
357.18253	1.6
365.19009	1.5
373.21616	11.8
375.23358	5.0
383.19992	12.4
384.20099	1.2
391.22302	2.7
401.21060	54.9
402.21341	7.5
419.21902	100.0
420.22168	12.1
420.26685	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2216
Annotation	Isovouacapenol D
Peak:m/z	Relative Intensity
53.03952	3.2
55.01864	6.0
55.05518	9.0
65.03931	2.7
67.05511	22.1
67.46262	1.2
69.03424	2.3
69.07071	6.2
70.15552	4.0
76.77843	1.2
79.05489	10.7
79.11289	1.3
79.56488	1.2
81.07061	10.9
83.04976	13.2
83.08630	3.5
91.05486	17.4
93.07039	22.3
95.04963	7.9
95.08606	46.0
96.08937	2.0
97.06535	4.1
97.10159	1.7
98.22553	1.3
105.07027	20.1
107.08595	17.4
109.06516	6.1
109.10143	9.3
111.04456	6.5
111.08077	4.7
115.05452	4.2
117.07014	6.7
119.08577	17.0
121.06492	6.0
121.10098	7.7
123.08079	13.1
123.11633	1.5
125.06019	1.5
125.09620	2.7
128.06212	4.5
129.07027	9.9
131.08594	8.2
133.06454	1.5
133.10153	8.8
135.08046	3.7
135.11688	6.1
137.05984	3.0
137.09718	1.5
139.07471	2.3
141.07022	7.9
141.09087	2.2
142.07802	3.7
143.08572	10.3
145.06512	3.2
145.10120	9.7
147.08025	4.3
147.11696	3.7
149.09630	3.1
152.06252	3.4
153.06975	8.1
154.07753	3.8
155.08569	14.5
156.09317	4.7
157.06488	6.2
157.10120	12.7
159.08017	2.4
159.11696	9.0
160.08821	1.7
161.09581	8.7
161.13254	2.7
163.11165	4.4
165.07002	20.4
166.07784	10.0
167.08554	18.4
168.09277	3.5
169.06430	3.5
169.10168	11.8
170.10811	1.5
171.08066	4.0
171.11697	8.9
172.12257	1.3
173.05962	4.5
173.09653	4.3
173.13245	2.4
175.11180	6.2
178.07767	8.6
179.08568	27.9
179.10172	2.0
179.10803	1.7
180.09267	7.6
181.06528	5.8
181.10115	17.7
182.07257	2.4
182.10721	4.8
183.08040	4.4
183.11658	8.4
184.12468	1.9
185.09637	2.9
185.13242	4.1
187.11183	1.9
187.14815	2.0
189.06975	3.4
189.12758	11.0
190.07797	5.4
191.07051	2.0
191.08554	9.5
192.09276	9.1
193.06534	2.6
193.10129	19.2
194.07278	1.7
194.10884	7.1
195.08073	18.8
195.11700	14.2
196.08611	2.3
196.12529	2.4
197.05974	1.8
197.09622	8.6
197.13300	6.2
199.07542	3.0
199.11174	2.8
199.14856	2.0
201.12943	2.2
202.07831	4.3
203.08536	14.3
204.09320	12.0
205.10118	19.4
206.07381	1.9
206.10838	5.4
207.08092	11.7
207.11717	17.3
208.08757	4.0
208.12383	3.0
209.09628	13.2
209.13188	10.1
210.10262	1.5
210.13750	1.4
211.07559	6.0
211.11168	5.3
211.14883	3.6
213.09132	5.6
213.12660	3.0
213.16284	1.7
215.08514	3.7
216.09297	6.1
217.10146	12.7
218.07362	4.6
218.10886	16.7
219.08101	4.7
219.11678	19.0
220.08774	2.1
220.12306	4.7
221.09709	6.2
221.13216	10.3
222.13908	3.5
223.07564	15.7
223.11186	8.8
223.14841	7.3
224.08130	2.7
224.11589	2.6
224.15488	2.0
225.09099	39.9
225.12740	4.7
225.16393	3.6
226.09554	2.9
227.08641	1.4
227.10707	4.7
228.09355	3.5
229.10104	5.7
230.10925	2.9
231.08115	7.1
231.11653	12.0
232.08807	8.9
232.12482	2.4
233.09657	15.8
233.13254	21.1
234.10085	2.4
234.13890	3.7
235.07501	1.7
235.11273	6.3
235.14813	7.2
237.09076	7.9
237.12740	4.3
237.16307	2.5
239.10678	12.6
239.14287	2.9
240.11363	2.0
241.12271	2.6
242.10725	1.9
243.11713	9.9
244.12462	3.4
245.09569	7.6
245.13239	6.6
246.10330	11.7
246.14012	2.6
247.11194	14.5
247.14856	3.5
248.11795	1.8
249.09152	3.8
249.12747	4.9
249.16354	1.7
251.10666	14.5
251.14191	9.6
251.17996	3.6
257.13348	1.9
258.10376	2.3
259.11261	8.9
259.14813	4.8
260.11969	3.3
261.12766	23.8
261.16290	4.2
262.10239	1.6
262.13455	4.6
263.10703	5.9
263.14313	4.7
265.12262	7.2
265.15533	2.9
273.12662	2.6
273.16214	1.7
274.13367	1.8
275.14319	1.8
275.18021	1.5
277.12262	11.0
277.15869	7.9
277.19302	1.5
278.13028	8.0
279.13803	34.5
279.17337	6.3
279.20953	4.1
280.14420	4.0
281.15335	3.5
285.12729	2.0
287.14426	8.2
289.12378	1.4
289.15784	1.8
291.13763	5.3
293.15543	1.9
293.22641	1.7
299.14417	2.0
302.16675	3.5
303.13794	3.7
305.15417	33.5
305.18829	2.7
305.22461	2.3
306.15775	2.6
307.17148	1.7
317.15219	2.2
320.17624	5.2
320.21170	1.8
355.20474	5.0
373.21671	15.3
383.19913	11.4
384.20374	1.8
391.22507	4.2
401.20950	41.6
402.21506	4.9
419.21539	100.0
419.29718	3.8
420.22104	14.0
420.30914	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
53.33416	0.2
55.05510	2.2
57.03419	0.2
63.89587	0.2
65.03931	0.4
67.05506	2.7
69.03422	0.9
69.06731	0.3
69.07068	2.8
70.15066	0.2
71.04967	0.5
74.77721	0.2
79.05495	1.9
81.07065	3.2
83.04976	0.9
83.08610	0.7
91.05483	3.3
93.07047	3.2
95.04941	0.6
95.08603	2.9
97.02893	5.2
97.06525	0.4
97.10163	0.3
98.03185	0.2
98.23413	0.5
99.04443	1.0
103.05480	0.2
105.04512	0.2
105.06367	0.3
105.07029	3.3
107.08591	2.7
109.02808	0.2
109.06523	1.8
109.10156	1.1
111.04426	0.7
111.08079	1.6
113.02376	0.5
115.03905	0.4
115.05425	0.4
117.06994	1.6
119.08570	2.0
121.06496	0.6
121.10166	1.1
123.08060	0.9
123.11695	0.3
125.05981	0.5
125.09641	0.2
127.03931	0.3
128.06215	1.5
129.06996	2.0
130.07721	0.4
131.08568	2.4
133.10129	1.7
135.08003	0.3
135.11705	0.4
137.05997	1.2
138.82190	0.2
141.06972	2.3
142.07787	2.8
143.08568	3.7
144.09294	0.3
145.10126	2.1
147.08031	0.5
147.11659	0.4
149.09570	0.4
152.06229	0.3
153.05690	0.3
153.06955	1.2
154.07745	0.7
155.08556	11.0
156.09155	0.7
157.06461	0.2
157.10139	5.4
158.10799	0.3
159.08087	0.3
159.11694	1.7
160.12241	0.2
161.09634	0.5
165.06992	3.7
166.07782	2.1
167.07201	0.3
167.08569	4.3
168.09290	0.9
169.10133	3.4
170.10843	0.5
171.11681	1.4
172.12180	0.2
173.09665	0.5
173.13214	0.8
175.11139	0.6
178.07771	2.1
179.08565	10.2
180.09322	3.0
181.10123	5.1
182.10895	1.3
183.11697	2.2
184.12450	0.2
185.13254	1.0
187.11281	0.2
187.14807	0.2
189.06799	0.2
190.07739	0.3
191.08530	1.6
192.09343	3.6
193.10133	7.2
194.10899	6.8
195.11682	6.5
196.12392	1.7
197.09550	0.3
197.13255	8.2
198.13791	0.6
199.14790	0.7
203.08519	0.7
204.09317	0.5
205.10146	2.7
206.10942	2.4
207.11699	7.8
208.12415	2.9
209.13251	24.3
210.13757	2.4
211.14801	1.5
213.12656	0.3
216.09261	0.3
217.10112	1.0
218.10803	0.9
219.11671	3.5
220.12425	1.9
221.09790	0.3
221.13275	5.6
222.13850	1.3
223.11118	0.4
223.14803	3.4
224.11841	0.3
224.15367	0.6
225.12694	0.7
225.16312	0.5
227.14241	0.3
229.10123	0.3
230.10875	0.3
231.11604	1.4
232.12326	1.4
233.13229	3.2
234.14001	2.2
235.14822	3.8
236.15448	0.8
237.12762	0.5
237.16345	1.0
239.14233	0.9
239.17863	0.3
243.11700	0.3
244.12315	0.3
245.13269	0.9
246.14000	1.2
247.14819	3.0
248.15588	1.8
249.16391	7.8
250.16786	1.0
251.14302	0.2
251.17853	0.9
257.13104	0.4
258.13885	0.3
259.14761	1.0
260.15582	0.8
261.13779	0.3
261.16379	2.0
262.17026	0.7
263.14462	0.7
263.17938	9.3
264.18582	2.5
265.15860	0.4
265.19482	0.8
273.16339	0.6
274.17188	0.6
275.14676	0.3
275.17944	0.9
276.18448	0.4
277.15622	0.2
277.19275	0.2
278.20248	0.2
279.14072	0.3
279.17416	1.5
279.20667	0.3
280.18106	0.4
281.19003	0.2
287.17896	0.4
289.16269	0.3
289.19278	1.3
291.20959	0.6
293.22607	0.6
301.19440	0.3
302.20187	0.3
303.17899	0.3
303.20853	0.9
304.21774	0.4
305.19009	0.5
305.22522	0.3
321.22098	2.5
323.20041	0.3
363.19571	0.3
373.25290	0.3
391.26022	0.7
401.24747	2.3
419.25769	100.0
420.26126	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01884	0.3
55.05267	0.3
55.05514	4.2
56.63927	0.2
57.03392	0.3
60.18305	0.3
65.03924	0.4
67.05503	2.9
69.06737	0.2
69.07068	2.6
69.35400	1.4
69.35809	0.4
71.04958	0.4
79.05491	1.8
80.15163	0.2
81.07053	2.1
83.04980	9.8
83.08605	0.6
91.05479	3.0
93.07050	3.0
95.04976	1.3
95.08601	3.9
103.74911	0.2
105.07031	3.1
107.04948	0.3
107.08614	1.5
108.32169	0.2
109.06506	0.5
109.10129	0.5
111.04444	5.3
111.08070	1.3
113.05917	0.3
115.05456	0.6
117.07043	2.0
119.08582	2.1
121.06525	1.5
121.10143	0.9
123.08056	0.9
128.06218	1.7
129.06999	3.0
130.07802	0.4
131.08557	2.2
133.10107	1.1
135.08067	0.6
135.11667	0.4
139.07501	0.5
141.06976	2.1
142.07796	4.1
143.08569	5.0
144.09177	0.4
145.06476	0.4
145.10115	2.2
147.08008	0.5
152.06137	0.5
153.07036	1.2
154.07744	0.8
155.08554	14.1
156.09338	1.3
157.10138	4.9
158.10834	0.7
159.08020	0.5
159.11710	2.6
161.09630	0.5
165.06982	3.4
166.07719	1.7
167.07213	0.3
167.08560	4.0
168.09244	1.0
169.10118	3.5
171.11725	1.1
173.09583	0.5
173.13254	0.5
177.12730	0.3
178.07733	1.2
179.08545	6.4
180.09299	2.7
181.08607	0.4
181.10123	5.8
182.10928	1.4
183.07994	0.3
183.11705	2.5
184.12187	0.3
185.13225	0.5
189.06976	0.2
189.31927	0.2
190.07736	0.2
191.08565	1.1
192.09328	2.4
193.10120	4.3
194.10907	3.8
195.11702	6.8
196.12442	2.3
197.09650	0.6
197.13254	8.3
198.13660	0.6
199.14748	0.3
203.08577	1.1
204.09305	1.1
205.10106	3.1
206.10901	2.5
207.11676	3.8
208.12398	1.8
209.09807	0.5
209.13255	13.3
210.10406	0.8
210.13785	1.6
211.11006	0.4
211.14719	0.7
212.11890	0.7
215.08601	0.4
216.09309	0.9
217.10124	2.3
218.10884	1.6
219.11714	2.4
220.12341	1.0
221.13254	2.1
222.13919	0.9
223.11365	1.3
223.14810	2.7
224.15486	1.0
225.09071	0.2
225.12781	0.6
225.16422	1.2
229.10092	0.7
230.10899	0.9
231.11636	2.9
232.12369	2.2
233.13234	2.1
234.13950	0.8
235.14796	1.4
236.15463	0.7
237.12631	0.6
237.16382	2.8
242.10733	0.4
243.11667	0.6
244.12480	0.8
245.13271	3.0
246.13976	2.0
247.14830	4.1
248.15390	0.8
249.16316	0.5
251.17952	20.2
252.18265	1.9
256.12305	0.3
257.13266	0.7
258.13998	0.7
259.14725	2.0
260.15607	1.2
261.12878	0.2
261.13785	0.3
261.16391	2.9
262.17014	1.3
263.17908	1.1
264.15106	0.3
265.15891	7.1
265.18997	0.4
266.16223	0.8
269.13223	0.3
271.14838	0.5
272.15530	0.8
273.16260	1.2
274.16928	0.5
275.17850	1.0
276.18707	0.3
279.14334	0.5
279.17465	7.2
279.20840	0.8
280.18204	1.6
281.18796	0.5
285.16260	0.5
287.14838	0.4
287.17911	4.1
289.19553	1.1
291.17883	0.3
291.21054	0.8
301.19482	0.7
302.20337	1.4
303.20978	0.5
305.15097	0.3
305.18869	0.7
305.22217	0.3
313.19592	0.3
320.24478	0.3
338.41409	0.3
401.24744	16.1
402.25027	2.4
419.25659	100.0
420.26004	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.01870	0.4
55.05295	0.2
55.05517	2.3
57.03441	0.3
57.07069	0.4
65.03939	0.4
67.05500	2.9
68.85472	0.2
69.03435	1.3
69.07069	3.3
69.57832	1.3
71.81341	0.3
79.05500	2.1
81.03415	0.3
81.07065	3.3
83.04975	1.0
83.08612	0.9
85.06518	0.2
91.05489	3.5
91.81893	0.2
93.07048	3.4
95.04947	0.4
95.08605	3.9
97.02903	5.0
97.06528	0.4
97.10181	0.4
99.04471	1.2
105.03358	0.3
105.07038	4.2
107.04935	0.4
107.08605	2.4
108.08905	0.3
109.02840	0.3
109.06516	1.3
109.10160	1.5
111.04451	0.9
111.08069	2.2
113.02374	0.7
115.05445	0.7
117.07030	1.2
119.08582	2.4
121.06506	0.4
121.10184	1.1
123.08083	0.8
125.09531	0.3
127.03978	0.3
128.06236	1.0
129.07002	2.6
130.07782	0.4
131.08583	2.7
133.06505	0.3
133.10112	2.0
135.08054	0.5
135.11696	0.3
137.05988	1.1
137.09644	0.3
141.06999	3.1
142.07780	2.7
143.08568	4.2
144.09312	0.4
145.10136	2.3
147.08037	0.5
147.11739	0.5
149.09569	0.3
152.06168	0.5
153.05881	0.2
153.06996	1.6
154.07790	1.0
155.08565	10.2
155.09834	0.6
156.09357	1.3
157.10139	5.1
158.10855	0.4
159.08061	0.7
159.11659	1.7
161.09645	0.7
165.06996	3.7
166.07758	1.6
167.08580	5.0
168.09290	1.0
169.10153	3.2
170.10832	0.6
171.11676	2.1
172.12123	0.3
173.09650	0.8
173.13292	0.6
175.11151	0.6
175.14847	0.3
178.07741	1.9
179.08560	11.9
180.09315	3.2
181.10124	5.9
182.10939	1.5
183.11702	2.3
184.12260	0.3
185.13269	0.9
187.11230	0.3
187.14885	0.3
191.08603	1.2
192.09343	3.0
193.10130	8.0
194.10907	6.3
195.11691	7.1
195.13541	0.3
196.12454	1.4
197.09590	0.6
197.13258	7.5
198.13698	0.7
199.11244	0.3
199.14835	0.8
201.12827	0.3
203.08589	0.7
204.09406	0.9
205.10147	3.2
206.10873	2.3
206.79767	0.2
207.11710	7.1
208.12459	2.7
209.09898	0.7
209.13260	23.3
210.13797	3.1
211.11168	0.4
211.14822	1.1
213.12721	0.4
213.16429	0.3
215.14433	0.3
217.10191	0.9
218.10887	1.0
219.11714	4.0
220.12431	2.2
221.13258	7.0
222.13812	1.2
223.11197	0.8
223.14799	3.7
224.15337	0.8
225.12715	1.0
225.16364	0.7
226.13365	0.4
227.14410	0.4
230.10878	0.4
231.11752	1.3
232.12494	1.0
233.13281	3.7
234.13943	2.0
235.14822	3.7
236.15456	0.7
237.12740	0.6
237.16318	1.5
239.14359	0.6
244.12474	0.4
245.13266	0.8
246.14014	1.1
247.11165	0.3
247.14813	2.8
248.15614	2.2
249.12631	0.4
249.16397	8.2
250.16873	0.9
251.14241	0.4
251.18031	0.6
259.14813	0.9
260.15628	0.9
261.12552	0.3
261.13757	0.3
261.16391	2.3
262.17047	0.9
263.14728	0.6
263.17944	9.0
264.14682	0.3
264.15695	0.3
264.18643	2.9
265.16248	0.3
265.19467	1.4
273.16342	0.5
274.17001	0.4
275.18011	0.8
277.15869	0.6
277.19446	0.4
278.16385	0.2
279.14145	0.5
279.17471	1.4
279.20660	0.4
287.17981	0.7
289.16559	0.2
289.19510	1.1
291.21127	0.8
293.22583	0.5
302.20190	0.3
303.21002	1.3
304.21713	0.5
305.18594	0.3
320.24738	0.3
321.18686	0.5
321.22058	2.2
322.22519	0.3
323.20074	0.4
373.24988	0.3
383.24100	0.4
401.24847	2.2
419.25797	100.0
420.26166	13.3
442.37283	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2639
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
55.05505	14.6
57.03427	12.7
58.39337	6.2
60.89565	7.7
62.03183	6.5
67.05504	25.0
69.03425	11.3
71.01406	6.4
71.05019	7.1
71.29091	13.9
75.15900	6.8
79.05495	23.0
81.07065	29.1
83.04993	8.2
91.05490	16.9
91.22184	7.4
93.07051	21.1
95.04975	10.6
95.08595	18.7
97.02929	10.2
97.06544	8.3
97.10158	9.7
98.22557	8.8
105.07013	26.4
107.04938	10.8
107.08619	22.1
109.06474	9.1
109.10168	20.1
111.08033	7.0
119.08577	22.3
121.10162	10.7
123.04390	10.4
123.11735	9.1
131.08623	9.6
131.39687	7.7
133.10094	11.0
135.11699	19.8
137.05969	11.7
145.10039	12.2
147.11659	8.5
163.07724	7.4
167.07039	13.4
181.04974	24.5
191.07031	8.3
193.10075	8.0
203.17957	17.7
209.13235	10.7
211.73819	7.3
214.11929	7.1
222.69688	7.9
287.05542	100.0
401.16498	10.0
419.21677	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.05516	12.3
57.07071	1.6
58.47008	0.5
62.13438	0.5
65.03946	0.9
67.05504	8.3
69.03404	0.7
69.07066	4.1
69.11861	5.3
69.12204	1.0
79.05484	4.0
81.07063	8.1
83.04981	4.3
83.08625	13.3
91.05489	6.1
93.07040	12.0
95.04971	2.2
95.08609	20.9
97.06539	1.4
97.10168	0.8
99.04540	0.6
105.07034	8.0
107.08591	10.0
109.06525	1.5
109.10158	5.4
111.04440	2.0
111.08077	4.9
113.06017	1.5
115.05492	0.9
117.07014	4.0
119.08584	9.3
121.06509	1.9
121.10152	5.6
123.08044	3.9
123.11688	1.0
128.06245	1.9
129.07011	4.4
130.07739	0.9
131.08563	6.1
133.10138	6.0
135.08073	1.6
135.11696	3.6
137.09608	1.0
137.13206	0.8
139.07539	2.7
141.07024	2.9
141.09097	1.9
142.07797	3.9
143.08572	8.9
143.29890	0.7
144.09323	0.6
145.10121	8.0
146.07204	0.8
147.08031	2.5
147.11673	3.0
149.13266	0.8
152.06326	0.5
153.06998	2.5
154.07793	2.0
155.08557	9.1
156.09357	3.1
157.10121	14.0
158.10693	1.6
159.11734	4.9
160.08852	0.8
161.09642	6.4
161.13239	2.5
163.11203	1.4
165.07022	3.3
166.07690	1.6
167.08582	7.2
168.09366	3.2
169.10130	15.2
170.10867	2.3
171.11684	9.9
172.10414	0.5
172.12054	0.6
173.13268	7.1
174.13754	0.6
175.11182	2.6
175.14844	0.9
178.07747	0.9
179.08614	4.4
179.10565	2.6
180.09323	3.1
181.10120	15.9
182.10950	4.9
183.11703	13.5
183.13347	0.7
184.12360	1.6
185.13243	3.3
187.11269	0.6
187.14864	2.5
189.12732	2.2
189.48058	0.6
192.09308	1.2
193.10141	8.0
193.12032	0.8
194.10927	4.3
195.11685	20.5
196.12395	3.7
197.13249	6.4
198.13797	0.5
199.14757	3.1
201.16447	0.8
205.10094	1.0
206.10942	2.2
207.11708	9.9
207.13652	1.2
208.12454	5.3
209.13257	17.1
209.15245	0.8
210.14009	4.3
211.14818	6.7
212.15497	1.2
213.16342	5.3
218.10904	0.8
219.11658	1.1
220.12479	1.6
221.13240	9.6
222.14012	4.7
223.14821	28.7
224.15419	4.5
225.16380	20.6
225.18623	0.8
226.16840	2.4
227.17963	1.9
231.11942	0.7
232.12555	0.8
233.13292	1.8
234.14081	0.9
235.14815	7.2
236.15616	3.3
237.16386	13.6
238.16974	1.3
239.17938	12.1
240.18356	1.0
241.19542	1.8
247.14851	1.9
248.15588	0.8
249.16393	5.0
250.17105	1.9
251.17969	11.4
252.18320	1.6
253.19545	1.9
261.16345	1.6
263.17972	6.0
264.18835	3.1
265.19528	8.1
266.19870	1.0
275.18100	1.9
277.19455	3.1
278.20197	1.7
279.21078	43.4
280.21606	4.1
281.22574	1.9
282.22980	0.6
289.19608	1.0
291.21152	2.2
293.15292	0.8
293.22632	0.6
295.10648	0.6
303.21042	1.3
305.22604	3.0
307.24228	1.5
317.22635	2.0
319.24249	2.4
319.27731	0.6
320.25034	3.5
321.25311	1.2
337.21521	1.0
345.22131	2.5
345.25653	0.7
349.21671	1.7
363.23190	11.3
364.23611	1.9
373.29019	1.3
377.24960	0.7
389.05365	0.6
401.28403	1.7
419.29446	100.0
420.29794	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.05510	3.1
57.07071	1.1
58.55953	0.3
67.05503	4.6
69.05814	3.4
69.07074	2.3
70.83627	0.3
73.80154	0.3
79.05495	2.8
81.07059	5.4
83.04993	2.6
83.08623	2.8
83.13367	0.3
90.72289	0.4
91.05487	4.8
93.07039	5.8
95.04969	0.9
95.08608	10.6
97.06499	0.5
97.10183	0.6
105.07030	5.4
106.07342	0.4
107.08598	6.5
109.06512	1.0
109.10151	2.3
111.04475	1.9
111.08086	2.3
113.05962	0.4
115.05445	0.8
117.07006	2.5
119.08582	6.0
121.10153	3.9
123.08065	1.5
128.06250	1.5
129.07002	2.4
131.08591	4.8
133.10147	3.4
135.08051	0.9
135.11705	1.9
137.05988	0.4
139.07542	0.8
141.07005	1.4
141.09105	0.4
142.07767	1.8
143.08549	7.7
144.09299	1.2
145.10114	5.0
146.10434	0.4
147.08093	0.7
147.11697	1.5
147.80052	0.4
149.13269	0.6
153.06943	0.9
154.07782	1.3
155.08540	4.3
156.09393	2.4
157.06592	0.4
157.10124	7.8
158.10922	0.8
159.11681	5.5
160.08859	0.5
161.09641	1.8
161.13264	1.0
163.11253	0.5
165.06979	1.8
166.07745	0.7
167.08571	3.5
168.09282	1.4
169.10126	8.2
170.10863	1.2
171.11699	6.8
173.09712	0.6
173.13278	3.4
174.14061	0.4
178.08060	0.5
179.08560	3.5
179.09972	0.4
179.10730	0.4
180.09366	2.0
181.10121	6.7
182.10878	1.9
183.11693	7.4
184.12241	1.0
185.13272	3.2
187.14838	1.1
189.12798	0.5
192.09337	0.8
193.10152	4.6
194.10918	3.8
195.11703	10.3
196.12411	1.6
197.13271	4.6
199.14903	1.9
201.16484	0.5
206.10905	1.1
207.11668	3.9
208.12465	3.6
209.13269	9.9
209.15242	0.7
210.14026	2.4
211.11342	0.4
211.14827	4.6
212.15498	0.8
213.16393	2.7
218.10811	0.5
219.11739	0.6
220.12392	0.8
221.13261	4.1
222.13991	1.2
223.14810	15.9
224.15417	2.1
225.09024	0.5
225.12839	0.6
225.16374	10.0
226.16927	1.2
227.17935	0.7
232.12425	0.5
233.13110	0.8
234.13945	0.8
235.14851	2.7
236.15468	1.5
237.16351	6.3
238.17081	1.1
239.17923	3.7
240.18500	0.7
241.19449	0.6
247.14801	0.7
248.15677	0.7
249.16444	2.5
250.17093	1.2
251.17957	5.0
252.18617	0.8
253.19499	0.6
261.16321	0.6
263.17941	3.6
264.18698	1.5
265.19519	4.8
275.17996	0.4
277.19531	1.3
278.20331	1.3
279.17896	0.8
279.21060	13.6
280.21567	2.5
281.22726	1.6
283.17041	0.5
289.19720	0.4
291.21011	1.4
292.21527	0.4
297.18518	0.5
305.22736	2.3
306.23120	0.5
309.18521	0.5
319.24139	0.4
320.24939	2.1
345.25452	0.4
363.23074	1.4
381.26093	0.4
401.28455	0.5
419.29443	100.0
420.29800	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.05511	6.9
57.07072	1.3
66.88582	0.5
67.05505	6.8
69.03439	1.0
69.07069	3.9
69.21793	4.4
71.05003	0.6
79.05492	4.2
81.07054	7.0
83.04985	10.9
83.08615	3.7
84.05334	0.6
91.05478	7.7
93.07045	11.1
95.04987	1.1
95.08607	15.1
97.32906	0.6
98.22823	1.9
99.04462	0.6
103.05461	0.6
105.04536	0.6
105.07025	11.7
107.08589	10.2
109.06525	2.2
109.10150	3.6
111.04449	5.5
111.08081	3.3
113.06025	1.0
115.05469	1.5
117.07034	2.4
119.08583	14.5
121.06512	1.3
121.10139	6.3
123.08087	2.6
123.11726	3.1
125.09602	0.8
128.06232	1.6
129.06996	3.3
130.07799	0.7
131.08563	6.9
133.10127	9.9
134.26300	0.5
135.08029	2.9
135.11705	4.6
137.13339	0.8
139.07523	2.8
141.07005	2.0
141.09148	0.7
142.07837	3.6
143.08571	10.6
144.09290	1.6
145.10124	8.7
146.10536	0.6
147.08080	1.1
147.11696	6.6
149.09718	0.6
149.13257	1.1
152.81090	0.7
153.06960	1.2
154.07800	0.8
155.08542	5.3
156.09357	3.6
157.10123	13.6
158.07292	0.6
158.10823	1.7
159.08107	0.7
159.11697	10.4
160.08788	0.6
161.09657	2.3
161.13234	2.8
165.07051	1.5
166.07817	1.0
167.08591	3.1
168.09349	1.5
169.10118	9.0
170.10889	2.7
171.11676	11.6
172.12439	0.5
173.09676	2.5
173.13245	5.6
175.11212	1.7
175.14870	2.4
179.08516	3.2
180.09317	1.6
181.10147	8.4
182.10892	2.9
183.11703	10.2
184.12335	0.8
185.13255	5.7
186.13846	0.8
187.11180	1.2
187.14806	3.0
189.12819	1.9
192.09357	1.1
193.10117	5.4
194.10927	4.3
195.11691	12.7
196.12350	3.5
197.13264	9.7
198.14020	1.5
199.14764	3.9
201.16402	1.6
205.12239	0.8
206.10973	1.5
207.11705	4.7
208.12508	3.8
209.13245	12.1
210.14000	3.4
211.14833	6.1
212.15457	0.8
213.12814	1.6
213.16348	4.8
218.10986	0.6
219.11803	1.7
220.12476	1.8
221.13235	7.2
221.15021	0.6
222.14050	2.5
223.11459	0.9
223.14822	18.4
224.15492	2.0
225.12833	1.8
225.16376	13.5
225.97420	0.5
226.16995	1.3
227.18071	2.1
231.11873	0.6
233.13362	2.2
234.14044	1.6
235.14769	6.0
236.15569	1.6
237.12839	0.9
237.13982	0.9
237.16362	10.9
238.16986	1.6
239.14392	0.7
239.17902	4.6
241.19688	0.8
247.14867	1.7
248.15663	1.3
249.16377	4.7
250.17293	1.6
251.14276	1.2
251.17990	6.8
252.18655	1.5
253.19588	2.0
259.14676	0.8
261.16476	1.4
262.17200	0.9
263.14404	0.6
263.15405	0.8
263.17908	5.1
264.18686	1.7
265.16537	0.8
265.19543	6.6
275.17923	0.7
277.16165	1.2
277.19559	4.7
278.20285	2.2
279.14676	0.7
279.17676	2.4
279.21036	19.5
280.18832	0.5
280.21664	3.5
281.22635	2.9
287.18063	0.7
289.19647	0.7
291.21109	2.7
292.21844	1.2
293.15640	0.7
293.18994	1.0
293.22580	1.5
297.18573	2.4
305.19019	1.6
305.22708	4.4
307.20749	1.1
307.24258	2.1
317.22839	1.1
319.24176	1.8
320.21484	0.6
320.24988	7.5
321.25601	1.4
323.20251	1.1
345.25845	0.8
349.21649	0.9
363.23184	3.2
377.25095	0.9
391.26352	1.8
401.24759	2.4
419.29572	100.0
420.24741	1.0
420.29855	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.05511	10.4
57.03471	0.7
57.07078	2.1
57.57412	0.5
65.03954	1.2
66.16245	0.5
67.05508	9.4
69.03432	1.0
69.07072	8.8
69.07426	1.0
69.48215	0.5
71.08637	1.2
75.46827	0.6
77.03954	0.6
79.05492	5.6
81.07057	11.0
82.07385	0.6
83.04984	10.3
83.08618	6.0
91.05484	9.5
93.07046	12.4
95.04978	2.1
95.08609	20.5
96.08965	0.5
97.06519	1.5
97.10160	3.2
98.22441	1.1
98.98486	2.6
99.04450	0.7
105.04498	0.8
105.07031	13.5
105.07665	1.0
107.08598	12.4
109.06540	2.7
109.10165	7.5
111.04451	6.3
111.08097	3.5
113.06026	1.4
115.05486	1.0
117.07033	4.8
119.08588	13.2
121.06493	1.3
121.10151	9.0
123.08039	3.1
123.11723	2.3
128.06255	2.0
129.06987	4.4
130.07776	1.2
131.08577	9.9
133.10138	9.8
135.08115	1.1
135.11708	5.3
137.06006	1.3
137.09624	1.1
137.13248	1.3
139.07596	2.8
141.06982	1.3
141.09203	0.7
142.07794	4.1
143.08560	9.6
144.09354	2.0
145.10126	16.6
145.11241	0.8
146.10622	1.0
147.08061	1.3
147.11671	6.4
147.25668	0.6
149.09711	0.8
149.13300	2.2
153.07031	1.3
153.09093	0.7
154.07794	1.0
155.01086	2.6
155.08528	7.8
156.09393	3.5
157.10132	15.1
158.10814	1.8
159.08057	1.0
159.11690	9.9
161.09668	2.8
161.13318	3.6
163.11185	1.4
163.14838	0.7
165.07039	1.6
166.07629	0.9
167.08536	4.3
168.09355	2.2
169.10117	9.9
170.10928	2.3
171.11691	13.3
171.13055	0.7
172.12352	1.2
173.09622	3.5
173.13272	9.9
173.14621	0.9
174.13887	0.7
175.11237	2.3
175.14848	1.4
178.07780	0.7
179.08554	3.5
179.10741	0.9
180.09349	2.4
181.10112	7.8
182.10962	5.3
183.11682	14.0
184.12384	2.2
185.13243	8.0
187.11288	1.7
187.14815	3.3
189.12816	1.4
190.56830	0.6
191.08559	0.7
191.10608	0.8
192.09486	1.1
193.10150	6.6
193.12062	0.9
194.10872	3.9
195.11697	12.2
195.13510	0.6
196.12434	3.5
197.13258	14.3
198.13800	1.4
199.11287	1.1
199.14818	5.2
201.12700	0.8
201.16426	1.2
205.10129	1.4
206.10947	1.5
207.11736	7.2
207.13638	1.1
208.12447	4.0
209.13284	14.3
209.15263	0.9
210.14050	2.5
211.11342	1.0
211.14856	7.4
213.12904	1.3
213.16368	5.2
218.10977	0.7
219.11731	1.5
220.12547	1.8
221.13232	7.6
221.15253	0.7
222.13911	3.6
223.11455	0.9
223.14812	17.4
223.16862	1.2
224.15404	2.9
225.12875	1.8
225.16360	12.6
225.18347	0.9
226.16859	1.2
227.14320	1.4
227.18005	1.5
231.11652	0.8
232.12723	0.8
233.13335	2.3
234.14066	1.4
235.14818	7.4
236.15598	2.1
237.12688	1.9
237.16367	10.6
238.17029	1.4
239.14363	2.1
239.17911	4.6
240.18474	0.7
241.19615	1.1
245.15547	1.1
246.14296	0.7
247.14897	2.2
248.15546	1.1
249.16394	5.0
250.17117	2.0
251.14203	2.8
251.17967	10.7
252.18604	1.0
253.19569	3.9
261.16458	2.0
262.17053	1.4
263.14319	0.7
263.15387	0.9
263.18048	4.2
264.18680	1.9
265.15991	2.1
265.19580	6.4
267.21341	1.0
269.67081	0.6
273.16544	0.9
275.18036	1.6
277.16287	1.3
277.19583	3.6
278.20242	1.4
279.14853	0.7
279.17682	3.1
279.21048	19.5
280.21735	6.5
281.19531	1.0
281.22714	3.6
283.16953	0.8
287.17984	1.1
289.15765	1.1
291.17923	0.9
291.21112	2.0
292.21866	1.1
293.19403	0.6
293.22678	1.8
294.23477	0.7
295.16989	0.7
297.18564	2.1
305.19034	1.6
305.22711	4.2
307.24332	1.9
311.20264	0.7
319.24234	2.3
320.24915	6.5
321.25696	1.6
323.20169	1.0
325.21826	0.8
337.21701	1.1
345.22134	0.9
345.25830	0.9
349.21658	1.2
361.21613	0.8
363.22968	2.9
373.25125	1.2
373.29276	0.9
377.24628	1.2
383.23621	1.3
391.26410	2.7
401.24802	2.3
401.29227	1.0
401.33820	1.3
419.29572	100.0
420.24838	0.8
420.29926	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.3
55.05511	14.8
57.07087	3.0
67.05504	9.6
69.03429	1.4
69.07072	4.0
69.35024	3.2
71.05016	1.0
77.03925	0.7
79.05492	6.3
81.03422	1.4
81.07058	9.3
83.04973	4.5
83.08617	16.5
85.06544	0.6
91.05473	8.5
93.07045	13.8
94.07407	0.7
95.04986	1.8
95.08609	20.4
96.08956	1.3
97.06558	1.9
97.10188	1.0
99.04486	1.1
102.46581	0.5
103.05429	0.7
105.03424	0.6
105.07024	11.7
105.07667	0.9
107.04945	1.0
107.08595	12.2
109.02895	2.0
109.06541	2.4
109.10153	6.9
111.04449	2.8
111.08096	5.5
113.06011	1.1
115.05473	0.9
117.07004	4.3
119.08578	10.7
121.06530	2.7
121.10127	5.3
123.04445	1.0
123.08069	3.9
123.11738	1.7
125.05994	0.7
127.07555	0.6
128.06229	3.0
129.07025	4.9
130.07814	0.8
131.08568	10.8
131.09482	0.8
133.10138	6.5
135.08041	3.0
135.11674	4.6
137.05968	1.1
137.09651	1.5
139.07570	2.5
140.23619	0.6
141.06961	3.7
141.09125	2.0
142.07773	4.3
143.08562	9.7
144.09328	1.0
145.10129	8.2
147.08083	2.0
147.11696	3.5
149.13284	1.0
153.05502	1.9
153.07013	2.6
154.07820	2.0
155.08551	10.6
156.09378	4.2
157.10126	16.4
158.10779	0.9
159.08054	0.8
159.11676	8.1
161.09610	6.2
161.13249	3.4
163.11179	2.1
165.06969	5.8
166.07832	1.6
167.07069	3.1
167.08595	8.7
168.09395	3.4
169.10127	16.9
170.10780	2.1
171.11681	10.0
172.12358	0.6
173.09674	1.6
173.13280	7.3
175.11255	2.1
175.14804	0.7
178.07750	1.4
179.08556	8.0
179.10684	2.3
180.09317	4.4
181.08653	1.2
181.10118	16.5
182.10889	4.8
183.11682	14.2
184.12355	0.8
185.13252	4.2
187.11238	1.0
187.14772	3.2
189.12779	2.1
191.08630	1.4
191.10670	1.3
192.09421	2.6
193.10156	9.8
193.12137	0.9
194.10925	5.9
195.11694	20.3
196.12379	5.0
197.09625	0.7
197.13246	8.7
197.14905	0.7
198.13905	0.8
199.14815	4.1
200.12517	0.8
201.09247	0.7
205.10178	2.2
205.12297	1.9
206.10963	2.4
207.11746	9.9
207.13701	1.4
208.12448	6.5
209.13246	22.1
210.13940	5.2
211.11435	0.7
211.14783	8.3
212.15514	1.1
213.12573	0.6
213.16368	6.0
213.97270	0.7
217.10181	1.3
218.10901	1.6
219.11766	3.3
219.13669	0.7
220.12468	1.9
221.13251	11.3
222.14006	4.3
223.11472	1.2
223.14818	32.1
224.15500	3.7
225.12933	1.3
225.16380	23.0
226.16904	2.2
227.18001	2.3
231.11879	1.2
232.12396	1.2
233.13263	3.5
234.14053	1.2
235.14793	6.9
236.15521	3.4
237.16452	12.1
238.16962	2.4
239.14339	1.4
239.17953	14.4
240.18355	0.9
241.19576	2.0
245.13310	2.1
246.14090	1.0
247.14865	3.1
248.15579	1.5
249.16362	6.6
250.16919	1.2
251.17952	12.8
252.18399	1.6
253.19588	1.3
259.14850	1.5
260.15659	1.4
261.16443	3.7
262.17197	0.6
263.17963	6.9
264.18762	2.7
265.19547	7.3
266.19882	1.2
273.16449	1.3
274.17123	0.7
275.14603	0.9
275.18066	1.8
276.18671	0.7
277.16281	0.8
277.19580	5.0
278.20273	2.2
279.17984	1.4
279.21063	42.6
280.21478	5.3
281.22687	2.1
283.69611	0.7
287.18039	1.1
289.19550	2.5
290.20108	0.8
291.21161	2.5
293.22754	0.8
299.17566	0.7
303.21121	1.3
305.19406	1.0
305.22507	2.9
307.24292	1.1
317.22598	1.7
319.20959	0.8
319.24356	2.7
320.24771	3.3
321.18622	0.8
331.20706	1.0
345.22256	3.1
349.21674	2.3
359.20032	5.1
363.23172	13.7
364.23660	1.1
373.28976	1.0
377.19394	1.4
401.24301	0.9
401.28583	2.0
419.29553	100.0
420.30008	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99599	0.3
53.03930	0.8
55.05265	0.6
55.05511	5.4
57.03440	0.4
57.07091	2.1
58.64025	0.3
63.27126	0.3
65.03936	0.6
67.05508	6.4
67.52703	0.3
69.03421	0.7
69.07071	5.4
69.73870	1.1
69.74275	0.5
77.03932	0.5
79.05502	4.6
81.07056	6.4
83.04985	4.3
83.08617	4.9
91.05476	7.0
91.06013	0.6
93.07048	9.9
95.04977	1.6
95.08608	16.4
96.08945	0.4
96.15831	0.3
97.06551	1.3
97.10207	0.4
98.22675	0.7
103.05451	0.5
104.21233	0.4
105.07032	10.4
106.07366	0.3
107.07869	0.5
107.08594	10.3
109.06519	1.3
109.10155	4.1
111.04425	2.4
111.08089	2.8
113.06012	0.9
115.05463	1.1
116.06232	0.4
117.07026	4.0
119.08578	10.5
120.08899	0.4
121.06528	1.5
121.10154	7.0
122.10488	0.3
123.08052	2.9
123.11708	2.5
125.09705	0.4
128.06215	1.9
129.07014	3.7
130.07797	1.3
131.08566	7.7
133.10133	6.1
135.08051	5.5
135.11688	4.3
137.05966	0.5
137.09619	0.5
137.13251	0.5
139.07562	1.9
141.06978	2.3
141.09174	1.0
142.07788	4.1
143.08565	8.9
144.09285	1.1
145.06523	0.5
145.10126	9.6
146.10539	0.5
147.08072	1.1
147.11694	4.0
149.13274	0.8
149.55714	0.3
153.07045	1.2
154.07779	1.3
155.08565	7.8
156.09352	3.9
157.10133	14.0
158.10822	1.1
159.08084	0.9
159.11700	10.0
160.12253	0.6
161.09621	2.7
161.13240	2.1
163.11201	1.0
165.07048	2.2
166.07782	1.4
167.08582	5.0
168.09366	2.2
169.10133	11.8
170.10899	2.1
171.08199	0.5
171.11691	11.4
171.13058	0.7
172.12137	1.0
173.09651	5.7
173.13264	6.0
175.11275	1.3
175.14903	0.6
178.07782	0.7
179.08563	4.2
179.10199	0.5
180.09334	2.6
181.10103	9.6
182.10907	3.4
183.11702	13.2
184.12312	1.3
185.09703	0.6
185.13255	4.7
187.11159	2.1
187.14824	2.1
189.12781	1.5
191.08601	0.6
192.09354	1.1
193.10147	4.8
194.10909	4.9
195.11699	13.7
196.12344	3.0
197.13261	8.7
198.13866	1.3
199.11269	0.9
199.14812	3.1
201.12764	0.4
201.16464	0.9
205.10147	0.8
206.10924	1.0
207.11687	5.8
207.13666	0.7
208.12476	5.1
209.13242	14.5
210.10440	0.5
210.13904	3.7
211.11349	0.9
211.14810	7.2
212.15416	1.7
213.12856	1.3
213.16373	4.7
217.10069	0.5
219.11670	1.4
220.12468	1.6
221.13275	5.8
222.13936	2.9
223.11331	1.1
223.14812	19.8
224.15315	3.1
225.12924	2.9
225.16364	13.4
225.18636	0.4
226.17029	1.1
227.14297	0.6
227.17934	0.9
231.11716	0.5
232.12482	0.8
233.13252	1.4
234.14085	1.0
235.11259	0.5
235.14819	5.1
236.15576	1.9
237.12764	1.5
237.16360	10.3
238.17032	1.7
239.14343	1.5
239.17924	5.5
239.20294	0.4
240.18515	0.9
241.15822	0.8
241.19568	1.5
245.13239	0.5
247.14786	2.1
248.15623	1.1
249.12762	0.6
249.13847	0.4
249.16394	4.2
250.17015	1.6
251.14403	2.9
251.17946	6.6
252.18602	0.8
253.15955	0.6
253.19565	0.8
259.14825	0.5
260.12357	0.4
260.15469	0.4
261.12582	0.4
261.16385	1.6
262.17010	0.4
263.14301	0.5
263.17963	4.3
264.18689	2.1
265.16031	0.8
265.19577	5.1
267.17572	0.4
269.15543	0.6
273.16205	0.5
275.14313	0.8
275.17874	0.7
277.15927	1.2
277.19568	1.8
278.20178	1.9
279.17606	3.3
279.21036	22.1
280.18375	0.6
280.21609	4.3
281.19324	0.7
281.22711	2.6
287.17938	0.8
289.15997	0.6
291.17526	0.9
291.21103	1.3
292.21875	0.4
293.15482	0.6
293.22574	0.6
297.18475	3.0
303.17499	0.8
303.20883	0.6
305.19031	1.9
305.22720	2.6
306.23239	0.4
307.20773	0.4
307.24292	0.9
317.19006	0.5
319.24197	0.7
320.24835	3.1
321.18408	0.6
323.20096	0.6
331.20639	0.5
337.21674	0.5
345.22183	1.0
345.25937	0.4
349.21939	0.5
359.23807	0.6
363.23138	2.5
373.25107	0.9
373.29126	0.8
383.19788	0.8
383.24026	0.5
401.20959	1.7
401.25180	1.9
401.29208	0.6
402.21188	0.4
419.29541	100.0
420.29898	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.05514	4.2
57.07071	1.0
65.03944	0.5
67.05508	5.2
67.05840	0.5
69.07072	2.9
69.26760	1.8
71.04995	0.3
77.03938	0.3
77.83321	0.2
79.05491	3.1
81.07059	5.7
83.04982	2.9
83.08614	2.7
85.06573	0.5
91.05482	5.0
93.07047	7.9
94.07375	0.4
95.04983	0.9
95.08609	11.9
96.08929	0.5
97.06538	0.8
97.10161	0.4
103.05460	0.3
105.04551	0.3
105.07024	7.8
107.08591	7.3
107.09278	0.5
108.08904	0.3
108.21182	0.3
109.06529	0.7
109.10149	3.1
111.04458	1.6
111.08082	2.1
113.06023	0.6
115.05466	0.6
117.07012	2.9
119.08584	8.9
120.08935	0.4
121.06522	0.9
121.10146	4.4
123.08075	2.6
123.11700	1.4
125.06009	0.3
125.09746	0.3
128.06224	2.0
129.07013	3.3
130.07825	0.5
131.08578	5.9
133.10132	4.6
133.11063	0.4
135.08052	8.2
135.11679	2.2
137.06084	0.3
137.09680	0.3
139.07573	1.2
141.06973	2.3
141.09113	0.6
142.07777	2.7
143.08569	8.1
144.09360	0.7
145.06612	0.3
145.10127	5.4
147.08067	1.0
147.11673	2.2
149.09651	0.4
149.13275	0.7
153.07007	1.3
154.07793	1.3
155.08545	6.4
156.09338	3.3
157.10133	9.4
158.10828	1.1
159.08122	0.4
159.11702	6.1
159.12976	0.4
160.08847	0.4
160.12451	0.3
161.09593	2.4
161.13283	1.1
163.11264	0.5
165.07028	1.9
166.07791	1.1
167.08559	3.5
168.09331	1.8
169.10129	11.2
170.10791	1.6
171.11707	8.7
172.12218	0.8
173.09610	2.0
173.13271	4.4
175.11188	1.0
175.14891	0.4
178.07950	0.5
179.08574	3.3
179.10777	0.6
180.09297	1.8
181.10126	7.6
181.11745	0.4
182.10899	2.4
183.11697	9.5
184.12318	1.1
185.13277	4.1
186.13734	0.3
187.11223	0.9
187.14780	1.8
189.12794	1.0
191.14476	0.3
192.09381	0.6
193.10138	5.1
193.11766	0.4
194.10905	3.6
195.11707	9.3
196.12415	2.0
197.09622	0.4
197.13269	5.7
198.13989	0.8
199.11252	0.5
199.14850	2.9
201.12801	0.3
201.16306	0.6
205.10210	0.3
205.12321	0.4
206.10933	1.2
207.11707	5.1
207.13705	0.5
208.12422	4.7
209.13271	11.5
210.13997	3.1
211.11324	0.5
211.14822	5.6
212.15465	1.4
213.12846	0.7
213.16362	3.2
215.14291	0.4
219.11734	1.0
220.12389	1.0
221.13269	4.3
222.13884	1.9
223.11421	0.7
223.14816	18.2
224.15353	3.0
225.12842	1.1
225.16399	9.9
226.16852	1.3
227.14226	0.3
227.17961	0.9
232.12352	0.4
233.13271	1.0
234.14030	0.9
235.14807	3.6
236.15443	1.8
237.12750	0.8
237.16367	7.7
238.16985	0.8
239.14412	1.0
239.17967	4.1
240.18474	0.5
241.16129	0.4
241.19583	1.1
246.13904	0.3
247.14946	1.2
248.15555	0.9
249.16420	3.2
250.17027	1.2
251.14314	1.1
251.17946	5.9
252.18399	0.6
253.15938	0.3
253.19460	0.5
259.14624	0.3
261.16458	1.0
262.17093	0.6
263.14304	0.4
263.15024	0.5
263.17941	4.6
264.15527	0.3
264.18570	1.5
265.15924	0.7
265.19553	4.9
266.19931	0.3
273.16592	0.3
275.17950	0.8
277.16327	0.6
277.19550	2.2
278.20160	1.8
279.17615	2.7
279.21048	17.9
280.21616	3.2
281.19107	0.4
281.22623	1.5
283.17050	0.3
289.19507	0.6
291.17685	0.5
291.21164	0.9
292.21973	0.3
297.18564	0.9
303.21103	0.5
305.19308	0.5
305.22708	2.3
306.23169	0.4
307.16965	0.3
307.20615	0.3
307.24152	0.5
309.18524	0.4
317.22476	0.3
319.24167	0.8
320.24881	2.9
321.25461	0.4
323.20233	0.5
345.22101	0.5
349.21548	0.5
359.23651	0.5
363.23251	2.1
373.29160	0.4
377.24796	0.7
383.23529	0.4
391.26447	0.7
401.24283	1.7
401.29251	0.4
419.29474	100.0
420.29837	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93692	0.4
53.03933	0.7
55.01865	0.8
55.05268	0.7
55.05514	7.5
57.03427	0.7
57.07073	1.7
65.03926	0.5
67.05504	8.6
69.03429	0.5
69.07068	5.8
69.15890	4.0
69.16203	1.0
71.04998	0.8
71.08638	1.1
77.03973	0.4
79.05485	5.7
81.06589	0.5
81.07053	8.4
83.04981	13.0
83.08613	3.2
84.05345	0.4
91.05473	7.0
91.58953	0.5
93.07046	13.8
93.21535	0.4
94.07388	0.5
95.04972	3.1
95.08606	18.1
97.06527	1.0
97.10178	1.0
99.04475	0.6
102.19909	0.4
103.05463	0.8
105.07030	13.1
107.08591	11.9
107.09273	0.8
109.06518	2.1
109.10157	6.7
111.04448	7.4
111.08059	3.8
112.68342	0.5
113.06039	1.3
115.05443	1.0
117.07018	5.1
119.08579	15.0
121.06537	2.2
121.10144	8.8
123.08080	3.4
123.11718	2.3
125.06010	0.7
125.09616	0.8
127.07662	0.5
128.06253	2.0
129.07001	4.1
130.07800	1.5
131.08572	11.3
133.06445	0.5
133.10124	7.7
135.08080	3.0
135.11694	4.6
137.09628	1.0
137.13258	1.1
139.07542	1.9
141.06984	2.6
141.09122	1.2
142.07777	4.5
143.08556	10.2
144.09332	1.8
145.10132	11.4
147.08067	1.3
147.11688	5.7
149.02376	0.6
149.09619	1.1
149.13301	1.8
153.07024	1.0
154.07819	1.5
155.08559	7.6
156.09337	3.8
157.10132	14.9
158.10789	1.0
159.08022	1.1
159.11693	10.9
160.12265	0.6
161.09645	2.6
161.13278	3.4
163.11172	1.1
163.14923	0.5
165.06958	3.0
166.07843	1.8
167.08575	4.3
168.09380	2.8
169.10121	10.2
170.10909	2.5
171.08220	0.5
171.11700	15.1
172.12340	0.9
173.09648	3.5
173.13260	10.9
173.14621	0.8
175.11162	2.3
175.14854	2.1
178.07840	0.7
179.08543	4.7
179.10730	0.5
180.09315	3.3
181.10117	10.8
182.10895	3.7
183.11679	12.3
184.12442	1.9
185.09689	0.8
185.13248	8.9
186.13744	1.0
187.11243	1.5
187.14783	3.9
189.12817	1.8
189.16417	0.5
191.08539	0.5
192.09355	1.8
193.10123	7.2
194.10884	4.9
195.11696	14.0
196.12361	3.9
197.09714	0.8
197.13261	10.2
198.13904	2.1
199.11234	0.5
199.14841	5.4
200.15416	0.6
201.12721	2.8
201.16431	1.0
203.14455	0.7
205.10156	1.4
205.12141	0.5
206.10942	2.2
207.11708	7.5
208.12460	4.3
209.09795	0.5
209.13255	13.7
210.13934	2.9
211.11276	0.9
211.14796	7.7
212.15428	1.5
213.12804	2.0
213.16344	4.3
214.16878	0.6
215.18227	0.7
219.11789	2.5
219.13670	0.7
220.12497	2.0
221.13229	8.5
222.14005	3.5
223.14804	16.8
223.16873	1.0
224.11900	0.6
224.15437	3.2
225.12823	1.7
225.16368	12.7
226.17070	1.2
227.14377	1.5
227.17867	3.1
229.15912	1.1
231.11835	1.0
231.13895	0.9
232.12553	0.8
233.13301	2.0
234.14046	1.5
235.11235	0.8
235.14809	7.4
236.15572	3.0
237.12820	0.9
237.16351	10.6
238.17140	1.8
239.14258	1.2
239.17900	6.1
240.18706	0.6
241.16014	1.0
241.19569	1.5
245.13205	0.9
245.15465	0.9
245.89163	0.6
246.13936	0.8
247.14760	2.2
247.17039	0.8
248.15547	2.1
249.16377	6.6
250.17134	2.5
251.14168	1.3
251.17946	9.8
251.20355	0.8
252.18810	1.2
253.19469	3.7
259.14648	0.6
261.16446	1.8
262.17224	0.9
263.14398	0.5
263.15018	0.6
263.17953	6.6
264.18649	2.7
265.15967	1.3
265.19598	6.9
266.19974	0.8
269.15405	0.6
274.16895	0.5
275.17981	1.4
276.18610	0.6
277.16266	0.9
277.19461	6.1
278.20203	3.0
279.14371	0.8
279.17670	1.5
279.21045	20.2
280.18738	0.8
280.21603	3.8
281.19107	0.7
281.22705	2.2
287.18176	0.5
289.19489	0.9
290.20224	0.7
291.20999	3.2
292.18506	0.7
292.21747	3.5
293.19223	0.9
293.22729	3.3
297.18497	1.7
302.20187	0.5
303.21146	1.0
305.15582	0.6
305.19116	1.4
305.22726	5.3
306.23306	1.4
307.24246	1.4
309.25821	0.6
311.20145	0.8
317.19150	0.6
317.22546	1.0
319.20615	0.6
319.24252	2.0
320.21396	0.9
320.24979	8.7
321.25638	1.0
323.23825	0.5
331.24338	0.7
337.21637	0.7
345.25952	0.7
349.21729	1.0
359.23868	0.7
363.23224	2.1
376.24286	0.6
377.24762	1.7
391.26285	2.6
392.26593	0.6
401.24594	1.4
401.28601	1.5
404.27307	0.7
419.29544	100.0
420.29883	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91380	0.7
53.03936	1.3
55.04246	0.8
55.05510	7.1
57.07061	2.0
58.75428	0.7
67.05506	5.3
69.07057	3.4
69.24986	3.0
69.25408	3.0
79.05476	3.9
81.07049	6.9
83.04980	3.2
83.08153	0.7
83.08627	10.3
84.87404	0.7
91.05492	4.6
93.07041	7.8
95.04887	1.0
95.08614	11.6
97.06531	0.9
98.23339	1.7
105.07024	7.9
107.08595	7.8
109.06508	0.8
109.10177	3.6
111.04452	1.4
111.08090	2.7
117.07013	2.7
119.08582	6.9
121.10143	3.8
123.08065	2.2
123.11710	1.4
128.06212	1.2
129.07001	3.6
131.08556	8.0
133.10132	3.9
135.11705	2.8
137.13222	1.1
139.07503	0.8
141.06976	1.4
141.09119	1.1
142.07764	2.7
143.08569	7.4
145.10104	7.0
147.11682	2.1
149.13229	1.0
154.07747	1.0
155.08556	7.1
156.09294	2.9
157.10133	12.4
158.10834	1.8
159.11708	5.2
161.09598	2.8
161.13258	2.5
163.11089	1.1
165.06978	2.2
166.07716	1.8
167.08638	4.2
168.09334	2.5
169.10115	8.8
170.10741	1.6
171.11700	6.9
173.13261	7.3
174.13686	0.8
175.11168	1.4
175.14806	1.3
179.08537	4.3
179.10712	1.0
180.09328	3.0
181.10104	9.7
182.10881	3.3
183.11694	9.8
185.13245	3.5
187.14835	3.1
189.12836	1.3
192.09261	1.3
193.10155	5.0
194.10904	4.7
195.11684	11.5
196.12355	1.6
197.13245	6.2
199.14818	2.7
201.16405	1.8
207.11702	5.6
208.12500	5.4
209.13225	12.8
210.13986	2.5
211.14845	4.8
213.16324	4.6
219.11601	1.3
220.12459	1.3
221.13200	5.0
222.14053	1.7
223.14813	23.4
224.15472	3.3
225.16371	14.6
227.17918	1.3
235.14842	2.9
236.15651	0.9
237.16365	8.2
238.17003	1.0
239.17940	6.6
247.14738	1.2
249.16412	2.6
250.17110	1.5
251.17911	7.7
252.18459	0.8
253.19452	1.4
263.17947	3.1
264.18652	2.2
265.19519	5.5
277.19617	1.8
278.20230	1.2
279.21060	22.9
280.21671	3.3
281.22687	2.3
305.22565	1.3
307.24063	0.8
311.68536	0.8
319.24341	1.3
320.24890	1.9
345.22131	1.0
363.23193	7.1
401.28375	1.4
419.29416	100.0
420.29739	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
53.34610	0.6
55.05513	6.1
55.70517	0.6
57.07078	2.0
65.03938	0.7
67.05513	6.6
69.03436	0.9
69.07069	5.0
71.08615	1.4
75.85617	0.7
79.05505	3.8
81.07063	7.0
83.04987	14.3
83.08619	3.1
85.10193	1.6
91.05484	5.2
92.05772	0.8
93.07055	11.1
95.04974	1.6
95.08607	15.6
95.09164	1.2
96.08949	0.7
97.06553	1.1
97.10203	0.9
98.23367	1.5
99.04471	1.0
99.21770	0.6
103.05517	0.9
105.07029	10.2
107.08608	7.7
109.06532	1.4
109.10172	4.8
111.04465	8.0
111.08076	5.6
113.06005	1.6
117.07018	3.2
119.08588	13.2
121.06516	1.4
121.10144	5.9
123.08077	1.9
123.11751	3.2
125.05951	0.9
128.06206	3.4
128.08244	0.7
129.07048	3.3
131.08569	6.8
133.10135	8.8
135.11716	2.4
137.06015	2.2
137.13286	1.4
137.98228	0.6
139.03908	1.2
139.07600	4.1
141.07007	1.0
141.09099	0.9
142.07805	2.2
143.08572	19.8
144.09334	0.9
145.10136	6.7
147.08124	1.3
147.11708	6.8
149.13243	0.8
151.07587	0.7
153.07027	1.0
154.07845	0.9
155.08565	4.9
156.09329	2.4
157.10139	7.5
157.12216	0.6
159.08006	0.8
159.11688	6.7
161.09647	1.4
161.13277	4.2
163.14926	0.7
165.07028	2.3
166.07761	1.1
167.08592	3.2
168.09389	1.3
169.10158	7.1
170.10994	1.4
171.11691	11.8
173.09598	0.9
173.13297	4.4
175.11156	1.3
175.14839	5.1
179.08534	3.9
179.10745	0.8
180.09343	2.2
181.10129	6.7
182.10820	1.9
183.11682	8.4
184.12448	2.3
185.13271	5.3
187.11229	0.8
187.13374	0.8
187.14861	2.6
189.12718	1.7
189.16386	0.7
190.41338	0.6
191.10847	0.7
192.09322	1.3
193.10129	6.7
194.10822	3.2
195.11696	10.9
196.12370	2.1
197.13275	6.5
198.14055	1.4
199.14876	2.6
201.12924	1.3
201.16394	4.0
204.65320	0.7
205.10254	1.1
205.12292	1.6
206.11014	1.9
207.11728	7.1
208.12477	2.9
209.13255	8.7
210.13985	1.4
211.14769	5.4
212.15710	0.8
213.12762	1.1
213.16411	8.2
215.14377	0.7
218.10933	0.9
219.11763	2.2
220.12468	2.0
221.13277	7.8
222.13995	2.7
223.14816	9.1
224.15340	1.5
225.12868	1.4
225.16386	9.4
226.16937	1.3
227.17996	3.0
233.13214	2.1
233.15321	0.8
234.14043	1.4
235.14825	8.3
236.15546	2.2
237.16367	8.5
239.17998	2.9
241.19638	0.9
245.13266	0.8
247.14856	2.4
248.15459	1.4
249.16428	5.2
250.17094	2.0
251.18004	8.3
252.18343	1.1
253.19624	2.8
257.15393	1.2
259.14813	1.1
260.15543	0.7
261.16434	1.9
262.17209	1.8
263.17892	4.9
264.18741	1.8
265.19479	5.5
275.17926	1.6
277.19485	7.9
278.20074	1.6
279.17960	1.1
279.21069	10.4
280.18555	0.8
280.21695	2.6
281.22787	2.4
283.26328	1.1
289.19543	1.6
291.21042	4.1
292.21902	1.9
293.22580	1.7
295.16904	1.0
297.18539	0.7
303.17056	0.8
303.21146	0.8
305.22571	6.7
307.24164	4.1
309.25824	1.0
311.20233	0.7
317.22571	0.9
319.23941	3.1
320.25003	13.4
321.25632	3.1
331.20422	0.9
349.21759	1.2
359.23688	0.8
361.21732	1.4
363.23203	2.1
376.24017	2.1
377.24899	1.7
391.26337	1.1
401.28879	1.2
401.34073	3.8
419.29477	100.0
420.29828	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.05510	10.3
55.85094	1.0
57.07074	2.5
67.05497	8.3
69.07074	3.7
75.06203	0.9
79.05498	3.6
81.07072	5.5
83.04980	20.2
83.08623	2.3
85.10194	3.0
91.05467	6.7
93.07043	12.8
95.05000	2.4
95.08608	16.9
95.55165	0.7
97.06530	1.7
97.10158	1.1
99.04478	1.5
105.07037	10.4
106.41852	0.9
107.08591	7.6
109.06526	1.1
109.10154	4.2
111.04437	9.8
111.08072	4.9
113.06053	1.1
114.76206	0.9
115.12612	0.8
117.07017	4.6
117.66581	0.8
119.08585	13.6
121.06532	1.0
121.10152	4.7
123.08090	3.3
123.11698	1.9
123.61566	0.8
128.06239	3.8
129.07033	3.6
130.07719	1.0
131.08578	9.4
133.10127	9.1
133.10886	0.8
135.08075	1.2
135.11710	2.9
137.05980	1.1
139.07588	3.0
141.06943	2.1
141.09151	1.6
142.07820	3.6
143.08556	23.2
144.09148	1.2
145.10115	7.6
147.08069	1.1
147.11697	4.4
153.07025	1.8
154.07767	1.1
155.08580	5.6
156.09340	2.8
157.10129	10.2
158.10916	0.8
159.08147	1.0
159.11693	8.9
161.09653	1.7
161.13316	1.8
165.06906	2.0
166.07745	1.3
167.08562	4.8
168.09361	1.5
169.10147	11.3
170.10968	2.4
171.11690	13.7
173.09680	2.1
173.13223	5.4
175.11185	1.6
175.14825	4.0
178.07841	1.0
179.08553	6.0
180.09322	4.8
181.10129	9.6
182.10890	2.1
183.11676	10.4
184.12517	3.9
185.13359	4.6
187.14877	2.8
189.12772	1.8
192.09370	1.5
193.10144	7.4
194.10924	5.3
195.11687	13.9
196.12433	2.6
197.13275	7.7
198.13908	1.0
199.14883	2.6
201.16428	4.1
205.10172	2.3
206.10973	2.9
207.11700	12.2
208.12364	4.0
209.13263	11.6
210.14114	2.4
211.14748	4.9
213.12988	0.8
213.16370	9.3
217.10077	1.5
219.11752	4.5
220.12498	3.6
221.13223	11.3
221.14987	1.1
222.14066	3.7
223.14778	12.7
224.15410	2.3
225.12975	1.0
225.16354	10.5
226.16940	1.2
227.17967	4.0
231.11752	1.8
232.12576	1.2
233.13289	2.9
234.14131	2.5
235.14796	9.1
236.15544	4.1
237.12863	1.2
237.16393	14.4
238.17018	1.8
239.18002	2.8
241.19608	1.3
247.14885	3.4
248.15724	2.6
249.16406	10.2
250.17311	2.8
251.14337	0.8
251.17873	5.8
253.19513	4.4
259.11627	1.1
259.14804	1.5
261.13153	0.9
261.16452	3.3
262.17197	2.5
263.17963	5.8
264.18701	2.7
265.19470	7.1
266.20230	1.9
273.16495	1.0
275.18030	1.5
276.18698	1.6
277.19476	10.7
278.20325	2.6
279.17999	1.5
279.21063	9.9
280.21732	1.8
281.15677	1.1
281.22610	2.8
289.16241	1.6
289.19623	2.0
291.20947	2.2
293.22574	2.2
295.16895	1.0
297.18491	1.0
305.19290	1.3
305.22760	6.2
307.20837	1.0
307.24310	1.8
317.19229	1.1
317.22772	1.2
319.24335	2.9
320.24979	9.7
321.25653	1.4
335.20020	1.5
338.07895	1.0
349.21722	1.1
361.21808	2.5
363.23389	3.4
376.24066	5.4
377.24738	1.8
391.26086	1.1
401.24573	1.6
401.29050	1.0
419.29602	100.0
420.29977	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18171	1.6
54.92540	1.4
55.05511	2.4
56.85421	1.9
57.07082	2.9
59.05619	1.6
67.05510	6.9
69.07092	3.9
69.22997	13.9
73.77560	1.7
79.05503	4.8
81.07041	9.2
83.04976	2.5
83.08639	1.8
89.06030	2.2
91.05508	4.9
93.07020	10.8
95.08608	16.8
105.07031	9.9
107.08609	12.1
109.10168	3.2
111.08121	2.7
117.07055	2.4
119.08592	13.5
121.10164	5.3
123.11692	2.2
128.06267	2.1
129.07014	2.7
131.08594	4.4
133.10132	5.2
135.11710	3.4
141.05559	2.0
141.06906	2.1
142.07753	2.9
143.08582	9.6
145.10117	6.8
147.11710	3.8
155.08568	5.8
156.09320	2.1
157.10063	9.3
159.11737	8.0
167.08574	3.7
169.10133	8.4
171.11679	12.3
172.74142	1.7
173.13329	3.7
180.09102	1.9
181.10133	3.6
183.11707	3.6
185.13243	3.4
193.10139	2.8
194.10898	1.7
195.11705	10.0
197.13307	4.6
199.14854	3.7
207.11732	4.4
208.12411	2.2
209.13289	10.0
210.13995	2.4
210.21506	1.8
211.14871	4.0
213.16386	4.3
221.13286	3.6
223.14818	12.1
225.16344	10.1
237.16428	4.0
238.17065	2.1
239.17972	5.6
249.16402	2.3
251.17879	5.6
252.18935	1.8
263.18121	3.4
265.19498	3.3
278.20340	2.3
279.21060	19.0
280.21564	1.7
281.22693	3.1
304.03244	1.9
305.22726	2.3
311.20248	2.3
320.24985	3.1
360.13358	2.5
373.14432	2.2
374.14984	2.5
375.15857	3.0
376.16599	3.4
388.16696	4.2
389.17557	13.8
390.18253	6.5
403.19443	10.5
404.20016	16.1
405.20502	2.1
419.22235	100.0
419.29428	100.0
420.22955	12.6
420.29437	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01869	2.2
55.05510	6.7
57.03436	1.0
57.07073	5.1
57.19761	0.4
65.03930	1.1
67.05504	17.5
69.03413	1.1
69.07070	8.1
71.08627	1.6
71.29906	0.5
79.05489	4.0
81.07058	16.7
81.17373	0.5
83.04984	3.0
83.08620	4.1
85.06545	1.2
85.10188	1.4
91.05481	9.2
93.07043	38.5
94.07378	0.9
95.04965	1.8
95.08605	32.8
96.08952	1.5
97.06541	1.6
97.10178	2.2
105.04537	0.7
105.07022	6.2
107.08588	9.6
109.06541	1.0
109.10159	8.6
111.04442	1.5
111.08080	17.7
111.11736	1.4
112.08412	0.7
115.05520	0.6
117.07027	1.9
119.08562	4.9
121.06529	3.4
121.10155	4.0
123.08118	1.6
123.11699	5.3
124.90839	0.5
125.06012	0.5
125.09673	1.1
127.07550	4.6
128.06250	1.0
129.07034	2.6
131.08569	4.9
133.10118	2.9
135.08046	0.8
135.11699	1.3
137.06000	0.7
137.09602	1.1
137.13261	1.5
139.07544	16.1
141.06993	1.6
141.09108	0.5
142.07808	1.5
143.08574	6.6
144.09416	0.9
145.10139	3.7
147.08038	0.5
147.11711	1.5
149.09663	1.7
149.13257	1.3
151.11211	0.7
153.09090	7.8
154.07767	1.1
155.08540	6.4
156.09357	2.7
157.08614	1.9
157.10139	7.7
158.10715	0.5
159.11687	5.6
161.09685	0.9
161.13275	1.2
163.11169	0.8
165.07001	0.8
167.08557	1.9
167.10686	4.4
168.09343	1.6
169.10127	10.2
170.10638	0.9
171.11674	4.7
172.12492	0.6
173.13243	2.9
175.11148	1.0
179.08611	2.2
179.10573	0.9
180.09189	1.2
181.10155	5.2
181.12157	4.0
182.10851	1.1
183.11668	7.6
184.12364	0.9
185.13246	2.7
187.14958	0.6
189.12758	0.7
193.10173	3.4
193.11945	0.6
194.10909	2.2
195.11719	6.9
195.13843	3.1
196.12341	1.7
197.13261	4.6
199.14795	2.3
207.11717	4.7
207.13702	0.9
208.12521	4.2
209.13268	9.9
209.15382	2.2
210.13979	2.2
211.14748	4.2
212.15451	1.0
213.12840	0.7
213.16351	1.7
219.11772	0.6
220.12576	0.6
221.13278	2.1
222.13855	1.0
223.14830	15.6
223.16844	1.0
224.15404	2.2
225.16370	5.8
233.13284	0.9
235.14703	1.0
236.15414	0.7
237.16475	2.5
237.18498	0.7
238.17064	0.7
239.17992	2.4
240.17839	0.5
241.19444	0.7
247.14673	0.7
249.16461	2.3
250.17044	0.7
251.14171	0.6
251.17953	1.6
251.20157	0.7
261.16293	0.7
263.17908	3.1
264.18750	1.4
265.19424	4.7
265.21881	0.7
272.23709	0.5
277.19357	1.2
279.17932	1.1
279.21014	13.3
279.23868	0.8
280.21634	1.4
281.22662	1.5
281.28473	1.3
283.16959	0.6
297.18585	0.8
305.19617	0.6
305.22391	3.1
320.24979	1.9
363.23001	0.6
389.24860	0.6
401.34039	3.0
419.29364	100.0
419.35172	81.4
420.29733	11.2
420.35541	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
54.82317	0.4
55.05516	4.7
57.07067	0.9
65.03971	0.4
67.01849	0.4
67.05508	6.2
68.94791	0.4
69.07061	3.1
71.04974	0.4
71.08630	0.4
72.04362	0.4
79.05489	3.5
81.07049	5.9
83.04965	2.5
83.08633	2.9
91.05485	5.3
93.07044	8.6
95.04968	1.4
95.08609	13.3
97.06530	0.7
97.10157	0.7
105.07026	6.4
107.08598	7.8
109.06530	1.2
109.10168	4.5
111.04456	1.6
111.08097	3.0
113.06015	0.7
117.07019	3.5
119.08584	8.1
120.08905	0.5
121.06517	0.9
121.10144	4.2
123.08088	2.4
123.11732	1.6
128.06192	1.9
129.07045	3.4
130.07722	0.5
131.08572	5.2
133.06441	0.6
133.09189	0.6
133.10109	3.8
135.08069	0.6
135.11714	2.4
139.07550	1.5
141.06992	2.0
141.09079	0.8
142.07787	2.4
143.08568	7.6
144.09163	0.5
145.06525	0.7
145.10123	5.6
146.10782	0.4
147.08060	1.0
147.11700	2.6
149.13269	0.9
153.06976	1.6
154.07758	1.2
155.08562	7.2
156.09358	2.9
157.10158	8.8
158.10765	0.8
159.11697	6.0
161.09631	1.9
161.13234	2.4
163.11156	0.5
165.07042	2.1
166.07768	0.8
167.08571	4.0
168.09338	1.8
169.10115	10.8
170.10794	1.5
171.11694	8.6
171.13075	0.6
172.12122	1.2
173.09685	1.0
173.13275	4.8
175.11188	1.2
175.14815	0.9
179.08530	3.3
179.10690	1.0
180.09270	1.3
181.10130	7.6
182.10886	2.3
183.11711	8.6
184.12343	1.2
185.09636	0.7
185.13268	3.8
187.11185	0.9
187.14848	1.7
189.12750	1.2
192.09381	0.7
193.10124	5.2
194.10878	3.2
195.08160	0.4
195.11700	11.1
196.12338	1.6
197.09573	0.5
197.13269	5.9
198.13960	0.5
199.14836	3.3
205.10207	0.7
206.10959	1.7
207.11662	5.4
207.13463	0.6
208.12410	5.3
209.09785	0.5
209.13237	10.7
210.13911	3.2
211.11263	0.7
211.14827	5.4
212.15312	1.1
213.12875	0.5
213.16405	3.0
219.11678	1.1
220.12450	0.9
221.13255	5.8
222.13953	2.1
223.11377	0.9
223.14818	18.3
224.15424	2.1
225.12897	0.9
225.16377	9.1
226.16924	0.5
227.17854	1.2
228.95845	0.5
232.12399	0.9
233.13242	1.4
234.14023	0.7
235.14809	3.6
236.15483	1.3
237.16368	8.4
238.16881	1.1
239.17952	5.0
241.19543	1.8
247.14937	1.3
248.15457	0.9
249.12839	0.6
249.16370	3.2
250.17162	1.2
251.17918	5.0
252.18555	0.9
253.19545	1.0
261.16489	1.3
263.14545	0.5
263.17984	3.4
264.18613	1.6
265.16541	0.7
265.19525	5.4
275.17877	0.9
277.19452	1.6
278.20279	1.5
279.21082	18.3
280.21628	3.1
281.22623	1.4
283.16901	0.8
289.19516	0.6
291.21176	1.4
292.22147	0.5
293.22534	0.5
295.16907	0.6
297.10516	0.5
297.18494	0.7
303.17361	0.6
303.21011	0.7
305.22592	3.2
307.17114	0.6
307.24142	0.9
311.19962	0.7
317.19028	0.4
317.22604	0.9
319.24213	1.2
320.24979	2.2
323.20047	1.0
335.20236	0.9
345.25952	0.5
349.21732	1.0
352.78690	0.5
357.12814	0.6
357.35638	0.6
363.23135	1.4
373.29077	0.7
377.24734	0.7
389.24377	0.5
401.28549	1.1
418.38840	0.5
419.29431	100.0
420.29852	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
54.74709	1.4
55.05513	21.3
57.07069	6.8
65.03934	4.1
65.49845	1.3
67.05505	7.8
69.07068	27.1
71.08621	4.4
71.30060	2.0
79.05482	9.7
81.07059	17.6
83.04987	13.4
83.08614	15.3
85.10181	2.1
91.05483	17.1
93.07047	12.4
95.08595	16.2
97.10157	7.9
105.07022	13.0
107.08578	8.6
109.06524	27.8
109.10142	7.7
111.04420	2.9
111.08060	2.3
111.11736	2.6
115.05473	1.2
117.06991	3.0
119.08572	10.2
121.06492	2.1
121.10127	8.3
123.08078	3.7
123.11707	3.2
125.05983	5.4
125.13193	1.3
128.06216	1.9
129.06969	4.3
131.08559	7.1
133.10143	11.1
135.08020	3.7
135.11658	4.1
135.22833	1.3
137.05977	100.0
138.06346	3.1
139.07544	3.6
142.07845	2.6
143.08556	9.7
145.10159	8.5
147.11670	4.8
149.09613	1.8
149.13214	2.0
151.07538	18.0
153.05511	2.7
153.06940	1.3
154.07860	1.4
155.07027	8.4
155.08556	5.1
156.09294	2.0
157.10136	7.2
159.08005	1.9
159.11676	6.1
161.09644	2.1
161.13266	2.3
163.07495	2.9
163.11153	1.6
165.09135	11.4
167.08565	2.1
169.10136	6.7
171.11658	6.3
173.09557	2.3
173.13272	3.4
175.11148	1.5
175.14815	2.6
179.08617	2.2
179.10706	7.0
181.10101	6.2
182.10834	2.3
183.11681	6.6
184.12239	2.5
185.13246	5.1
187.14822	2.2
189.16374	4.9
191.10632	2.3
193.10091	3.1
193.12244	8.4
194.10872	2.5
195.11646	6.3
197.13318	6.5
199.14835	3.5
201.16376	2.5
205.10332	1.4
205.12207	4.7
206.10860	1.6
207.11662	6.6
207.13777	5.1
209.13301	6.6
209.15279	1.2
210.14061	1.4
210.36882	1.4
211.14781	3.5
213.16515	3.5
214.63002	1.4
220.12463	2.1
221.13252	4.4
221.15208	2.3
222.13957	2.1
223.14830	9.1
223.64157	1.3
225.16385	4.1
227.14424	1.8
227.17886	2.8
233.13240	2.2
234.13785	2.6
235.14755	3.7
237.16354	5.5
238.16808	1.7
239.18015	2.9
249.16286	3.5
251.17935	4.6
263.17807	3.1
263.20255	2.4
265.19470	3.8
277.19373	2.9
279.21115	8.6
280.21768	2.1
305.22479	2.2
319.26440	1.6
320.24893	4.8
345.27988	1.6
363.23026	2.3
375.16040	3.1
389.17462	5.4
390.17853	2.2
401.34128	88.1
402.34445	11.6
403.19318	2.3
404.19907	3.0
419.17911	4.5
419.22171	19.0
419.29349	41.7
419.34964	15.5
420.22684	4.0
420.29675	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.352
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
51.63058	0.9
53.03942	1.8
55.01862	1.8
55.05515	13.6
55.48344	0.9
57.07077	7.3
59.45382	0.9
62.64435	0.8
65.03931	2.6
67.05505	8.0
69.01089	8.9
69.07069	20.8
71.04990	2.5
71.08642	4.1
79.05497	7.4
81.07064	9.8
83.04977	5.1
83.08614	9.7
85.10175	1.2
91.05484	11.6
93.07049	15.9
95.04976	2.3
95.08611	15.8
97.10175	5.8
98.23367	1.9
99.08115	1.0
105.04517	1.2
105.07049	3.0
106.28207	0.8
107.08575	3.4
109.06522	21.5
109.10148	4.7
110.06802	0.9
111.08080	7.3
111.11699	1.6
119.08579	1.3
121.06525	1.5
121.10129	1.9
123.08056	2.3
123.11707	3.0
123.43077	0.8
125.06004	5.0
125.13226	1.1
127.07555	2.8
131.08545	1.1
135.08130	0.8
135.11694	1.6
137.05980	79.7
137.13254	1.5
138.06329	2.0
139.07561	6.0
145.10173	1.1
149.09671	1.2
151.07539	16.4
153.09143	3.3
155.07010	3.2
159.11691	2.2
163.07483	1.5
165.09114	8.1
167.10732	1.8
177.09149	1.4
177.12811	0.8
179.10690	5.1
181.12244	1.9
191.10686	1.5
193.12233	7.1
195.11795	0.9
195.13649	1.5
199.74149	0.8
205.12325	3.9
207.13786	3.4
209.15363	1.2
219.13834	2.3
221.15396	2.0
226.22044	0.9
233.15373	1.1
235.16942	1.2
249.18517	2.2
251.19968	1.0
263.20093	3.7
265.21735	1.0
275.20078	2.0
277.21704	1.8
281.28464	5.1
291.23206	1.5
317.24854	1.2
319.26285	1.6
331.26196	1.3
345.27847	2.0
401.34140	100.0
402.34439	9.0
408.26501	0.8
419.29083	5.3
419.35162	76.6
420.30209	1.3
420.35529	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3519
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
53.03933	1.7
55.01865	1.8
55.05517	6.2
56.23703	0.5
57.03440	0.8
57.07079	13.0
58.07410	0.6
67.05503	12.0
69.07068	8.1
69.14595	2.6
69.14999	1.5
70.76128	0.6
71.04993	3.3
71.08634	3.1
79.05483	2.1
81.07057	9.4
83.04994	0.9
83.08190	0.8
83.08625	7.0
84.60275	0.5
85.06554	6.7
85.10182	1.2
91.05486	5.0
93.07046	27.8
94.07381	1.0
95.04958	1.5
95.08611	24.2
96.08966	0.7
97.06541	1.6
97.10166	3.4
98.22628	1.3
99.08069	1.1
105.06988	1.2
107.08617	4.8
109.06486	1.3
109.10152	7.2
111.08077	13.7
111.11716	1.2
119.08591	2.0
121.06509	1.7
121.10146	2.1
123.08060	1.3
123.11716	5.8
125.09653	1.7
125.13286	0.7
127.07568	7.0
127.11196	1.1
131.08635	0.6
133.10136	0.7
135.08046	1.3
135.11661	1.6
137.05948	2.2
137.09602	0.6
137.13293	2.7
139.07541	14.7
141.09253	0.7
145.10143	1.4
149.09624	0.7
149.13274	0.9
151.11090	0.5
151.14769	1.1
153.09117	7.8
157.08626	1.5
157.10092	1.0
159.11716	0.7
163.11177	0.7
163.14861	0.5
165.09097	0.6
165.16403	0.7
167.10687	4.6
173.13324	0.8
175.11101	0.8
181.12231	4.3
183.11642	0.6
195.13792	2.5
207.13904	1.0
207.21074	0.6
209.15375	2.3
223.16936	1.4
237.18555	0.7
251.04446	0.9
251.20079	1.3
261.17142	0.5
263.27362	0.7
265.21747	1.2
281.28436	8.2
281.50540	0.5
321.27554	0.7
335.29263	1.2
363.18732	1.2
401.34024	5.7
401.38123	0.6
419.35181	100.0
420.35510	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.1
57.03429	16.2
59.04991	3.0
61.02920	7.0
65.03932	3.4
67.05505	2.3
69.03426	46.4
69.10825	14.2
71.05007	2.0
73.02914	23.9
79.05486	4.3
81.03406	4.3
81.07072	1.9
81.67664	1.5
83.04988	2.3
85.02904	48.7
87.04462	23.2
91.05476	100.0
92.05816	2.1
93.07029	3.9
95.04961	2.5
97.02892	57.2
98.03242	2.5
99.04446	4.3
103.42735	1.6
105.07027	5.7
107.04942	7.6
107.08584	2.4
109.02887	3.4
109.06534	5.0
109.10142	1.7
111.04410	2.8
115.03926	48.7
117.07025	3.2
117.18902	1.5
118.50400	1.7
119.08569	2.4
120.12049	1.7
121.06512	4.9
123.04418	11.6
123.08057	2.2
127.03945	11.2
131.04886	2.1
131.08553	5.1
133.04967	40.9
133.06496	2.6
135.08038	5.0
137.05951	3.2
137.09627	1.6
139.03934	1.7
145.04959	13.2
145.06470	3.6
145.10123	2.1
149.05994	4.0
149.09605	2.8
150.07617	5.1
156.07487	1.9
159.08064	6.5
161.09584	1.8
163.05986	5.0
163.07541	6.1
175.07466	2.3
177.09108	13.1
179.10698	3.9
180.08710	2.4
185.77225	1.9
187.07524	3.3
193.05048	2.0
195.10152	2.3
195.58360	1.9
205.08705	12.9
205.12273	1.8
217.08647	2.1
223.06027	2.1
223.09639	14.5
223.13316	5.3
241.06987	3.2
241.10809	4.1
241.14439	2.7
259.08279	2.2
287.25269	1.6
295.10318	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.7
57.03428	0.6
63.36115	0.6
64.23186	0.6
66.06618	0.6
69.03426	0.9
71.25050	0.7
77.03925	0.7
82.75140	0.6
85.02903	3.6
91.02700	0.6
91.05475	1.2
93.07070	0.6
94.74178	0.5
97.02892	1.2
102.39661	0.6
103.05467	30.5
104.05772	1.0
107.04974	2.9
116.92403	0.6
123.04411	2.1
127.03883	1.0
131.04926	100.0
132.05229	3.9
133.06503	0.7
135.08057	0.7
137.05977	2.1
142.64996	0.5
145.04930	0.9
147.04416	2.0
149.06029	1.3
149.09714	0.6
161.06009	0.7
163.07538	58.6
164.07889	3.6
173.06046	0.5
175.07518	1.3
177.05466	3.7
181.08577	1.5
193.08623	2.5
195.10190	1.3
205.08583	2.0
223.09642	1.9
299.05399	0.7
311.05521	0.7
311.48193	0.7
333.50626	0.6
380.74649	0.6
420.20123	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.7
57.03435	9.7
61.02923	4.1
65.03928	1.7
65.76412	0.8
69.03431	12.0
71.01350	1.8
71.18858	0.8
72.04504	0.9
73.02908	12.9
81.03423	1.8
83.17550	0.7
85.02901	30.9
87.04453	1.8
91.05476	100.0
92.05811	3.6
97.02885	30.2
98.03208	0.9
103.03913	1.4
105.07014	2.7
109.02880	1.7
115.03939	10.0
117.07034	1.8
127.03911	6.6
129.07037	1.7
131.08549	0.8
132.06572	1.2
133.04947	10.7
133.06509	2.8
145.04962	9.0
145.06500	1.8
150.07568	2.2
157.06477	1.1
161.04439	2.4
163.06013	3.5
171.08087	0.9
217.08575	1.5
235.09529	1.7
241.06981	1.3
253.10692	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89548	1.7
69.03430	2.2
71.29885	2.4
79.05492	4.0
81.07031	2.1
85.02916	10.7
88.92717	1.6
93.07035	2.5
97.02889	2.3
99.04440	2.1
100.02580	1.8
105.07027	25.4
107.08573	2.5
123.08076	3.1
124.28958	1.8
133.04953	2.1
133.06487	52.0
134.06818	2.3
137.05971	100.0
138.06294	4.5
151.07568	1.8
165.09111	35.0
167.06998	1.9
177.09050	2.2
183.10161	32.7
183.11710	2.6
184.20685	2.2
201.40720	1.6
205.12215	3.8
223.13263	9.2
241.14320	12.4
289.17419	1.9
375.47159	1.8
420.19626	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60623	7.3
55.01869	10.2
55.05507	28.6
55.81863	8.2
62.40305	10.0
67.05499	76.8
69.03431	41.8
69.07069	11.8
70.03748	9.7
73.50311	8.5
79.05486	35.4
81.03404	20.4
81.07058	100.0
83.04987	23.5
83.08614	18.2
85.02921	9.7
91.05481	48.7
93.07030	44.5
95.04964	29.6
95.08604	35.7
97.06541	14.1
97.10191	10.4
98.23344	26.9
98.49649	8.2
105.07034	32.7
107.04968	12.4
107.08591	30.6
109.06530	15.7
109.10168	47.6
111.04441	7.5
111.08076	11.8
117.07000	14.9
119.08597	31.6
121.06507	12.2
121.10142	17.1
123.08073	12.1
123.11707	27.6
129.07021	19.3
131.08554	17.6
133.06485	11.2
133.10126	15.7
135.11659	14.5
137.05962	17.8
137.09700	9.8
139.07582	20.7
141.07025	11.6
143.08562	18.3
145.06459	15.8
145.10094	14.3
147.11646	10.5
149.09642	9.6
149.13246	40.2
155.08435	9.5
157.10112	25.9
159.11734	11.4
167.08488	11.0
169.10158	12.9
171.08075	9.4
179.08577	14.3
181.10011	10.3
185.13255	11.0
193.10287	8.8
193.12186	12.7
195.11806	13.5
197.13127	10.4
199.11365	10.6
205.19550	42.0
206.10867	8.7
209.09526	9.9
217.08521	8.8
223.11177	11.2
235.11157	9.4
237.12737	21.7
255.70789	10.4
265.12259	35.7
294.24902	8.3
329.21121	29.7
392.19675	10.4
403.24585	17.1
420.19067	17.3
420.25980	11.5
421.19846	45.5
421.25949	19.6
433.19254	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01873	0.7
57.03427	2.0
61.02920	0.8
62.09067	0.7
69.03439	1.7
70.06595	1.5
71.29290	0.9
73.02917	3.8
85.02886	4.4
97.02894	2.4
109.02862	0.9
115.03920	0.9
123.04461	3.5
124.03953	1.8
127.03919	100.0
128.04265	2.8
139.03900	0.7
147.04358	1.3
147.34953	0.6
149.06099	0.6
151.03949	0.7
154.11577	0.6
166.08562	0.8
210.07657	1.5
214.08009	0.6
269.12405	3.4
271.06131	0.7
289.09183	2.1
343.63052	0.6
396.90915	0.8
421.09366	2.1
421.17139	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1339
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01865	0.7
69.03435	1.1
69.58562	2.8
69.83680	0.6
73.02908	0.7
84.54741	0.6
85.02898	2.9
90.57673	0.6
97.02898	1.6
98.22729	1.2
116.33256	0.7
116.56110	0.7
127.03910	100.0
128.04263	2.6
145.05016	0.7
147.04370	1.0
180.48407	0.8
181.12021	0.6
237.90956	0.7
243.97621	0.6
289.09164	2.1
307.79062	0.7
421.16733	1.6
443.85358	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91046	0.4
54.31644	0.3
62.24076	0.4
67.05511	1.2
69.03434	1.9
70.05949	1.3
79.05499	1.7
81.07057	5.9
85.02926	0.5
91.05485	5.0
93.07044	0.7
95.04977	1.2
95.08615	1.0
103.05473	0.8
105.07031	2.2
107.04945	0.8
107.08605	0.5
109.06524	1.9
111.04468	0.5
115.05475	1.6
117.07022	10.6
119.08616	1.0
121.06541	0.9
123.04416	0.4
127.43587	0.5
128.06233	1.9
129.06996	2.6
130.07782	0.7
131.04962	1.0
131.08557	9.6
133.10181	0.5
133.79919	0.4
137.05981	9.7
140.56038	0.4
141.06970	5.9
142.07726	0.7
143.08620	2.2
144.09323	0.5
145.06508	1.9
145.10120	1.5
146.07257	0.8
147.08006	0.6
151.07599	0.5
153.07022	1.6
154.07780	7.8
155.08572	1.2
157.06679	0.5
157.10182	0.7
159.08066	2.9
159.11711	3.2
160.08875	0.4
161.09628	0.5
163.07578	0.9
165.07019	0.9
167.08574	1.3
169.06453	0.5
169.10123	7.6
171.08101	0.8
173.09625	0.5
179.08540	1.0
181.10110	0.7
183.08069	0.7
185.09618	0.5
187.11179	33.2
188.11594	1.7
189.09109	0.9
195.08069	0.9
195.11703	0.6
203.05302	1.8
205.10158	0.5
209.09595	0.7
209.13269	0.7
223.11185	0.7
227.14526	0.4
235.11256	0.6
237.09206	0.6
237.12669	0.6
294.77264	0.5
308.77960	0.4
322.67627	0.4
375.11871	0.5
375.19760	0.5
391.79214	0.5
403.19177	1.6
416.62595	0.5
421.21970	100.0
422.22296	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06471	0.3
67.05494	0.7
67.93484	0.4
69.03456	0.4
69.06765	2.7
69.07168	0.6
81.07072	0.6
91.05448	0.5
95.08620	0.4
103.20982	0.3
103.35866	0.3
105.07024	0.5
107.04949	0.4
109.06505	0.6
121.10138	0.4
123.08024	0.4
131.08607	0.6
137.05956	1.7
143.56696	0.3
154.44600	0.4
167.10365	0.4
169.10185	0.4
194.37881	0.3
203.03540	0.4
203.05191	1.8
329.20999	0.4
344.78656	0.3
345.08755	0.4
414.40509	0.4
421.21936	100.0
422.22266	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.01863	1.8
55.05509	6.8
57.07063	1.4
65.03918	1.0
67.05189	0.9
67.05509	13.4
69.03410	1.5
69.07044	2.7
69.64889	1.7
69.65305	2.9
70.06582	1.1
70.50264	0.7
71.04960	1.1
79.05499	4.4
81.03384	2.0
81.07063	10.6
83.04990	11.4
83.08598	1.1
88.07602	1.8
91.05489	9.4
93.07051	11.4
95.04935	3.5
95.08066	1.2
95.08610	17.2
97.06514	1.7
102.09180	1.3
105.06506	0.8
105.07029	9.7
107.04931	1.2
107.08596	6.5
109.06509	2.0
109.10150	5.7
111.04467	4.2
111.08097	4.9
113.05994	0.9
117.07048	4.9
119.08589	10.7
121.06483	1.8
121.10133	4.3
123.08102	4.2
123.11702	1.1
128.06174	2.6
129.07010	5.1
131.08560	8.5
133.06500	1.3
133.10135	6.7
135.08035	1.8
135.11679	1.8
139.07556	2.2
141.06937	2.9
141.09099	1.3
142.07733	2.6
143.08557	7.7
145.06476	2.0
145.10114	6.6
147.04384	4.9
147.08047	2.1
147.11642	3.2
148.04692	2.2
149.02289	1.1
153.06914	2.9
154.07660	3.5
155.08554	31.3
156.09138	2.0
157.06468	1.0
157.08929	0.9
157.10103	6.9
159.08012	3.5
159.11719	4.6
161.09579	2.3
161.13190	1.6
163.07480	1.5
163.11060	1.1
165.06981	4.5
166.07764	1.7
167.08575	6.9
168.09308	4.8
169.10129	9.2
170.10793	1.4
171.07999	1.7
171.11682	4.9
173.09512	3.1
175.11131	1.9
177.09070	1.3
178.07689	2.2
179.08574	9.5
180.09258	2.4
181.10106	11.3
182.10725	1.2
183.08023	1.7
183.11671	5.6
184.12419	1.1
185.13196	2.9
187.11140	1.4
189.12662	1.4
191.06973	4.1
191.08485	2.3
192.07281	3.8
192.09262	5.2
193.10136	12.2
194.10803	3.5
195.08018	1.3
195.11694	9.0
196.12195	1.8
197.09511	3.7
197.13220	5.1
199.11142	2.4
203.08600	1.1
203.10672	1.0
204.09222	1.5
205.10143	4.9
206.10863	8.9
207.07742	0.9
207.11700	13.1
208.12311	2.6
209.09714	4.0
209.13275	6.5
210.10114	1.2
210.13734	1.4
211.11124	2.6
213.09003	2.4
215.10646	6.1
215.14163	1.0
218.10886	1.8
219.11688	6.6
220.12297	3.2
221.09650	1.9
221.13255	28.1
222.13686	2.2
223.11125	1.9
223.14676	3.8
224.15047	1.0
225.09145	4.6
225.12613	2.0
225.16284	1.0
227.10680	18.8
227.14125	2.0
228.11156	1.4
230.10881	1.5
231.11554	1.9
232.12418	1.5
233.13077	3.9
234.13974	1.9
235.11099	3.0
235.14745	8.3
237.12584	2.7
237.16246	1.9
239.10474	3.0
239.14243	2.4
241.12093	2.1
245.13158	2.6
247.14835	5.8
249.12636	1.8
249.16212	3.8
251.10582	1.2
251.14191	1.1
251.17775	1.0
253.12155	4.5
253.15869	1.5
256.26321	2.2
257.26563	2.5
259.14557	1.2
261.12766	1.8
261.16153	2.9
262.13193	1.3
263.14374	6.8
263.17758	3.2
264.14972	0.9
265.15759	2.5
267.13843	5.6
267.16577	0.9
273.16360	1.0
277.12201	1.1
277.15442	1.5
279.13702	2.7
279.17120	1.5
280.14432	1.5
281.15204	12.1
281.18698	2.4
282.15897	2.7
283.16733	2.4
289.15628	1.8
293.15125	1.1
294.15604	1.1
295.17017	1.2
303.17099	1.0
304.18225	1.0
307.16962	5.3
309.18365	1.3
322.19305	4.9
333.18430	1.5
357.21985	1.0
361.21536	1.3
375.23080	3.3
385.21353	3.1
403.22400	9.5
404.22888	1.4
421.23395	100.0
421.31549	3.6
422.23721	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.1
55.01854	3.9
55.05511	11.3
56.50096	1.3
59.14900	1.4
67.05505	28.5
69.03410	3.1
69.07047	6.5
69.13815	9.5
69.14222	3.4
71.04985	3.1
71.20123	1.4
77.36515	1.5
79.05487	15.1
79.11771	1.2
81.03417	3.1
81.07053	20.2
83.04977	15.6
85.06541	1.5
91.05482	22.6
92.05804	2.2
93.07037	33.9
95.04967	13.1
95.08607	43.2
97.02879	2.9
97.06523	5.3
97.10178	1.5
98.23373	2.4
100.91968	1.4
105.07030	27.9
107.04972	2.8
107.08601	19.5
109.06489	5.6
109.10172	11.1
111.04450	7.5
111.08080	7.9
113.05968	1.7
115.05441	4.7
117.07017	9.1
119.04935	2.6
119.07778	1.9
119.08584	23.4
121.06483	13.1
121.10151	9.5
121.47616	1.5
122.06853	1.6
123.08068	10.5
123.11731	1.5
125.05959	2.2
125.09619	3.0
128.06201	10.6
129.07005	16.2
130.07753	2.5
131.08569	16.9
133.06451	4.7
133.10123	13.0
135.08028	6.8
135.11690	3.3
137.05988	1.8
139.07510	4.7
141.06982	10.7
141.09128	2.7
141.36757	1.4
142.07785	9.4
143.07631	1.8
143.08577	25.8
144.09056	2.7
145.06447	5.4
145.10114	15.8
147.08028	7.1
147.11668	5.9
149.09601	3.7
153.06984	10.1
154.07770	3.5
155.08551	25.6
156.09351	8.6
157.06499	6.5
157.10129	24.8
158.07207	2.0
158.10738	2.0
159.07999	9.8
159.11714	11.0
160.12025	1.4
161.05978	2.8
161.09622	8.2
161.13251	2.9
163.11211	1.6
165.06996	17.6
166.07811	11.7
167.08566	18.0
168.09390	9.9
169.06508	1.8
169.10114	19.7
170.10826	3.8
171.08014	4.1
171.11697	13.8
173.09618	6.6
173.13254	2.2
175.07520	2.5
175.11159	5.6
178.07788	5.6
179.08525	18.7
180.09315	8.6
181.06444	3.7
181.10127	26.8
182.07216	2.2
182.10925	9.3
183.08038	4.3
183.11684	21.7
184.12312	3.1
185.09633	9.6
185.13211	5.5
187.07481	2.1
187.11147	5.2
189.08992	1.9
189.12796	3.2
190.07784	1.5
191.08549	4.7
192.09367	9.0
193.10144	23.1
194.07240	5.1
194.10887	9.6
195.08060	8.8
195.11694	22.8
196.08797	3.7
196.12305	4.4
197.09589	11.4
197.13257	10.5
198.10252	1.8
199.11143	5.8
199.14778	1.7
201.09146	3.4
201.12846	1.8
203.08673	3.1
204.09354	3.2
205.10120	13.1
206.07283	2.5
206.10841	11.3
207.08005	6.4
207.11687	21.5
208.08804	4.2
208.12357	3.3
209.09627	27.2
209.13258	15.9
210.10074	3.0
211.11147	7.4
211.14818	3.4
213.09059	4.2
213.12610	3.6
215.08710	2.7
215.10657	7.5
216.09158	2.0
217.10094	4.0
218.10866	1.9
219.08061	3.0
219.11699	12.3
220.08856	2.5
220.12482	9.6
221.09738	6.9
221.13225	28.3
222.10258	4.0
222.13808	4.5
223.11203	13.0
223.14804	4.8
224.11726	2.0
224.15440	1.7
225.09169	10.9
225.12759	7.9
226.09651	2.1
227.10669	15.4
227.14227	1.8
229.10083	3.4
229.12210	1.7
230.10886	6.5
231.11568	6.4
232.12401	3.1
233.09705	10.0
233.13251	9.2
234.10281	3.9
234.13960	4.0
235.11227	13.2
235.14769	22.5
236.11722	2.7
236.15416	2.7
237.12773	11.2
237.16344	11.0
238.16992	2.0
239.10619	5.1
239.14330	3.2
241.12177	5.7
243.11615	1.8
243.13855	2.5
245.09589	2.8
245.13321	6.8
246.10536	2.8
246.13820	2.1
247.11172	8.9
247.14749	7.2
248.11899	12.7
249.12776	7.1
249.16417	2.8
250.13283	2.3
251.10507	1.9
251.14345	3.4
251.17755	2.5
253.12236	5.6
253.15822	2.9
255.13936	1.6
257.13092	1.9
259.11145	4.5
259.14682	1.6
260.11810	2.6
260.15485	1.7
261.12823	8.3
261.16318	4.1
262.13422	3.6
263.14294	45.4
263.17267	2.3
264.14786	6.0
265.12134	2.2
265.15787	9.9
266.16559	2.1
267.13770	3.9
273.16550	1.6
274.13297	1.6
275.14243	4.5
275.17838	1.7
276.15015	2.4
276.18521	1.8
277.15814	3.7
279.13702	4.9
279.17130	2.2
280.14691	1.6
280.17856	1.7
281.15350	28.6
281.18515	1.3
282.15930	3.2
283.17023	3.3
289.12827	1.6
289.15860	10.7
293.15366	2.0
301.15729	1.7
303.17538	2.7
304.18030	4.9
305.18909	2.3
307.16803	9.1
307.20209	2.7
308.17249	1.6
309.18451	2.2
321.18295	3.0
322.19159	5.4
323.19861	4.4
329.21356	2.3
347.19733	1.7
357.21967	5.5
361.21426	2.0
367.20349	1.8
375.23120	17.9
376.23593	1.5
377.20575	2.4
377.24686	7.5
385.21661	14.6
403.22592	79.7
404.22980	10.7
421.23608	100.0
422.23944	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01859	2.5
55.05501	8.7
65.03965	3.2
67.05508	13.7
69.07063	3.6
69.24904	7.6
69.25324	10.0
69.85329	2.3
79.05490	7.5
81.07067	13.2
83.04983	22.7
88.69289	2.2
90.90912	2.4
91.05480	16.1
93.07046	21.3
95.04959	4.6
95.08627	21.9
95.41219	2.5
97.06524	2.9
105.07022	18.3
107.08591	10.6
109.06503	4.4
109.10160	7.3
111.04459	14.3
111.08086	8.3
115.05442	2.2
117.07024	4.8
119.08573	20.9
121.06537	3.4
121.10163	5.6
123.08137	4.0
128.06206	3.1
129.06969	6.7
130.07770	2.3
131.08578	11.6
133.10132	16.7
135.08115	10.8
139.07571	4.6
141.06999	6.4
143.08575	14.5
145.10123	13.6
146.56247	2.6
147.07994	3.2
147.11687	8.1
153.07013	4.0
154.07706	3.0
155.08543	52.7
156.09341	4.6
157.06465	5.0
157.10130	11.8
159.08026	8.3
159.11681	7.8
161.09610	5.0
161.13197	2.6
165.07024	5.3
167.08565	7.2
168.09317	3.0
169.10101	16.4
171.11658	8.1
172.08932	2.6
173.09709	2.5
173.13255	5.7
175.11168	5.6
178.07834	3.2
179.08543	6.2
180.09277	5.6
181.06625	2.4
181.08765	2.4
181.10139	14.2
183.08083	2.3
183.11678	10.9
185.13232	7.9
187.11169	5.3
187.14854	3.5
191.08568	2.1
192.09300	4.0
193.10121	11.5
194.07239	3.4
194.10901	3.5
195.11710	12.7
196.12456	3.9
197.09673	3.2
197.13240	10.8
199.11220	2.5
199.14963	4.7
204.09314	2.2
205.10141	4.8
206.10832	5.9
207.11818	13.5
207.13576	2.4
209.09610	10.7
209.13280	7.5
211.11182	9.4
211.14809	4.8
213.16423	2.8
215.10658	11.5
218.10985	3.5
219.11687	9.2
220.12489	4.1
221.09615	4.0
221.13289	12.5
222.13885	4.4
223.11269	4.6
223.14719	4.5
227.10689	8.8
227.14247	2.5
229.12302	4.6
231.11844	2.7
233.13284	7.4
235.11189	7.2
235.14778	10.8
237.12517	3.9
237.16322	3.0
239.14308	3.1
241.12344	3.3
244.12271	2.7
245.13292	5.1
246.13892	3.1
247.11084	3.0
247.14841	6.9
249.12775	3.7
249.16479	3.2
253.15712	3.2
255.13774	3.5
261.12671	3.9
261.16397	5.1
262.13522	2.4
263.14352	12.1
263.17883	2.8
265.15854	5.4
271.15024	2.9
275.14304	3.4
275.17813	2.8
277.15793	5.5
281.15576	3.6
281.18878	2.5
282.16263	3.1
289.15912	8.5
291.17395	6.1
295.17151	2.8
304.18173	4.5
307.16959	7.7
309.18433	5.6
311.20062	2.6
322.19281	12.6
347.25833	2.9
357.22162	4.5
367.20654	5.2
375.23172	6.6
385.21454	14.2
403.22632	63.8
404.22867	5.5
421.23694	100.0
421.29242	5.1
422.23978	9.1
438.74268	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2373
Annotation	Chabrolonaphthoquinone A
Peak:m/z	Relative Intensity
53.03928	2.0
55.01850	5.8
55.05500	8.4
65.03944	2.1
67.05502	17.3
69.03407	2.4
69.07073	3.2
69.12922	17.5
69.13250	4.4
79.05502	15.3
81.07057	10.7
83.04987	9.2
91.05486	14.5
93.07045	17.4
95.04970	8.3
95.08054	3.0
95.08610	36.1
97.06498	3.4
100.38728	1.8
105.07040	28.1
107.08593	15.2
109.06497	4.8
109.10146	8.5
111.04455	4.1
111.08067	7.5
115.05406	4.0
117.07002	7.2
119.04855	2.6
119.08607	14.9
121.06474	3.4
121.10119	8.1
123.04455	3.0
123.08092	11.1
123.11687	2.3
125.09582	3.1
128.06172	5.4
129.07019	13.6
130.07782	1.9
131.08537	11.4
133.06491	4.7
133.10098	7.0
135.08000	5.5
135.11700	4.2
141.06972	9.7
141.09061	3.5
142.07741	7.5
143.08566	20.9
144.09265	2.6
145.06516	2.5
145.10136	12.6
147.08051	2.3
147.11646	5.3
153.06981	10.4
154.07770	3.5
155.08551	32.0
156.09425	4.4
157.06493	12.0
157.10117	24.1
159.04453	2.3
159.11716	14.4
161.05933	3.0
161.09573	7.8
163.11125	2.4
165.06976	10.4
166.07784	9.8
167.08580	15.8
168.09274	6.2
169.06474	2.4
169.10135	19.9
170.10881	3.2
171.08084	3.0
171.11682	8.3
173.09615	4.1
173.13242	3.4
175.11168	3.2
178.07796	4.1
179.08574	17.7
180.09241	4.2
181.06509	4.6
181.10107	18.8
182.07295	3.1
182.10759	3.2
183.08009	5.2
183.11694	12.8
185.09613	3.2
185.13274	3.3
187.11208	4.6
189.12735	3.5
190.07709	2.7
191.08517	7.0
192.09312	7.8
193.06442	2.8
193.10120	19.2
194.07239	4.4
194.10869	4.4
195.08011	10.8
195.11714	14.0
196.12471	4.9
197.09593	8.9
197.13271	13.6
199.11111	2.4
201.09084	2.2
203.02954	1.9
203.08679	2.2
205.10083	9.8
206.10831	8.6
207.08087	12.3
207.11699	16.3
208.08864	2.9
208.12328	2.9
209.09627	20.1
209.13206	10.3
211.07574	3.7
211.11078	4.6
213.08984	5.3
213.12709	3.1
215.08673	2.7
215.10596	7.0
216.09250	3.2
217.10072	2.2
219.08018	3.6
219.11736	9.6
220.08745	3.7
220.12360	5.5
221.09526	6.1
221.13232	21.4
222.10158	3.0
223.11162	11.9
223.14658	3.2
224.15237	2.1
225.09109	26.6
225.12657	4.7
225.16307	3.1
227.10690	15.9
230.10898	4.2
231.11716	4.1
233.09537	2.4
233.13171	4.4
234.10255	4.1
235.11116	8.2
235.14774	13.6
237.12708	4.3
237.16248	3.4
239.10637	6.5
241.12207	7.3
243.13780	3.6
244.12436	2.3
245.13240	6.8
247.11263	3.3
247.14615	5.6
248.11916	4.0
249.12669	6.1
249.16386	3.7
251.10619	2.9
253.12196	4.8
259.10934	2.6
261.12698	5.8
262.13449	3.6
263.14285	31.0
263.17279	2.7
263.17960	2.2
264.15085	2.1
265.12228	2.3
265.15833	3.7
265.19080	2.0
267.13788	3.5
267.17010	2.1
273.12686	2.6
275.14206	2.5
279.13904	5.0
280.14389	2.3
281.15311	35.5
281.18790	6.4
282.15588	3.5
283.16946	3.7
289.15704	9.4
293.15384	3.5
307.16821	7.8
319.16791	2.4
322.19235	2.3
347.19543	2.4
357.22000	2.7
360.56299	2.1
367.20490	3.0
375.23267	10.7
377.24701	2.6
385.21533	13.1
403.22589	71.7
404.22653	6.2
421.23535	100.0
421.28708	6.5
422.23996	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2373
Annotation	Chabrolonaphthoquinone A
Peak:m/z	Relative Intensity
53.03929	1.2
53.16817	1.0
55.01867	2.1
55.05518	5.9
55.05728	0.9
55.10076	0.9
67.05511	13.1
69.03408	3.0
69.07056	2.8
69.23972	8.4
79.05506	8.1
81.03431	1.9
81.07056	7.4
83.04987	12.2
83.08660	1.5
91.05480	11.6
93.07046	13.2
95.04951	4.5
95.08044	1.5
95.08605	17.2
97.06531	1.1
99.04504	1.2
105.07027	12.1
107.08595	7.6
109.06526	2.5
109.10146	4.5
111.04428	7.1
111.08080	3.9
111.23994	1.1
113.05996	1.1
115.05438	2.3
117.07011	6.6
117.87902	1.0
119.08582	13.7
121.06489	3.2
121.10134	4.7
123.08050	4.4
125.09644	1.5
128.06212	3.9
129.07021	7.5
130.07779	1.3
131.08574	8.5
133.06490	2.8
133.10132	6.9
135.08037	3.1
135.11696	1.1
139.07503	3.1
141.06995	4.5
142.07771	3.1
143.08586	8.6
145.06483	2.8
145.10139	7.4
147.08035	3.6
147.11667	3.6
149.09653	1.8
152.06241	1.4
153.06969	3.7
154.07759	3.1
155.08563	33.0
156.09235	2.4
157.06551	5.2
157.10092	9.5
158.10414	1.4
159.08040	5.3
159.11685	5.2
161.05989	1.3
161.09596	4.4
161.13217	2.5
165.07010	4.5
166.07712	3.1
167.07028	3.1
167.08562	8.2
168.09354	4.7
169.10138	9.8
170.10736	1.4
171.08025	1.9
171.11661	4.1
173.09622	5.0
173.13354	1.2
175.07449	1.7
175.11198	3.4
178.07791	1.6
179.08586	7.9
180.09258	2.2
181.06517	1.9
181.10100	12.2
182.10800	1.5
183.08070	2.0
183.11684	7.5
184.12355	1.8
185.09647	3.4
185.13216	2.2
187.11139	4.4
189.12749	1.1
191.08514	2.9
192.09312	4.2
193.10156	8.8
193.11906	1.5
194.10825	3.1
195.08136	2.2
195.11717	7.3
195.13295	1.2
196.12393	1.4
197.09567	6.3
197.13170	5.6
198.14081	1.1
199.11171	3.2
199.14803	1.5
201.12711	1.7
203.08618	1.5
204.09311	1.4
205.10245	6.1
205.12050	1.6
206.10898	4.9
207.08160	1.2
207.11703	12.7
208.12375	1.2
209.09628	11.5
209.13255	7.4
210.10126	1.3
210.13808	1.4
211.11243	8.0
211.14828	2.2
213.09132	1.7
213.12688	2.3
215.10661	7.0
217.10063	2.8
218.10870	1.4
219.11723	5.8
220.12433	3.2
221.09663	2.9
221.13234	15.5
222.10155	1.0
222.13763	1.6
223.11113	3.8
223.14771	2.7
225.09038	2.8
225.12741	4.4
225.16208	1.0
227.10660	17.7
227.14209	2.0
228.11311	2.9
229.10223	1.2
229.12241	4.1
230.10873	1.2
231.11649	3.1
232.12498	1.8
233.09526	1.6
233.13261	3.6
234.13913	2.3
235.11133	3.4
235.14873	6.3
237.12712	4.4
237.16347	2.5
239.10600	1.6
239.14279	2.7
245.13243	2.5
246.13800	1.3
247.11357	2.7
247.14775	6.0
248.11887	1.8
248.15508	1.6
249.12733	3.4
249.16379	3.3
251.10687	1.8
253.12267	2.3
253.15805	1.6
261.12683	2.8
261.16336	2.9
262.13568	1.1
263.14294	9.8
263.17740	2.4
264.14847	1.6
265.12292	2.5
265.15778	2.9
267.13809	3.1
271.14734	1.5
275.14349	2.8
276.15033	1.2
277.15869	3.1
279.13727	2.9
281.15399	8.0
281.18167	1.8
282.16046	1.8
283.16925	2.0
289.15781	5.7
290.16507	1.2
291.17273	2.8
293.15692	1.4
293.18961	1.8
295.16937	2.5
304.18118	3.0
307.16937	5.3
308.17484	1.2
309.18604	2.1
321.18433	3.0
322.19391	6.4
323.19998	2.4
357.22162	2.7
367.20364	2.2
375.23117	3.7
385.21597	10.4
386.21936	1.5
403.22635	45.1
404.22986	5.4
421.23627	100.0
422.24060	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.7
57.07079	0.8
60.53566	0.7
67.05508	4.3
70.31552	0.7
79.05501	3.5
81.07052	5.1
83.04971	2.2
91.05486	4.5
93.07047	3.9
95.04996	1.7
95.08602	6.1
104.52855	0.7
105.07043	5.2
107.08614	2.0
109.06540	2.4
109.10139	1.7
111.08131	0.9
117.07016	1.9
119.08556	3.8
121.10178	0.9
123.08058	1.9
129.07005	2.3
131.08566	3.8
133.10161	2.7
137.05981	3.4
139.07552	1.1
141.07063	2.4
142.07835	0.9
143.08548	3.2
145.06580	1.0
145.10088	1.4
147.08093	0.9
153.07025	1.2
154.07700	1.2
155.08563	17.8
156.08936	1.0
157.10118	3.0
159.08066	0.9
159.11673	0.9
165.07001	1.3
166.07881	1.1
167.08595	4.0
168.09323	3.3
169.10164	4.3
171.11678	1.9
178.07777	1.2
179.08580	4.8
180.09245	1.1
181.10143	8.9
182.10716	1.1
183.11789	0.9
185.09560	1.0
187.11330	1.1
191.08559	2.0
192.09383	4.0
193.10158	7.8
195.11745	3.2
199.14853	1.2
205.10139	2.9
206.10902	4.2
207.11697	10.9
209.09776	1.3
209.13329	2.3
213.09174	0.9
215.10629	4.2
219.11757	3.9
220.12396	0.8
221.13268	20.1
222.13657	1.9
223.11145	1.0
223.14758	0.7
227.10666	18.6
227.12823	1.1
228.11266	0.9
231.11685	0.9
233.13394	2.0
235.11197	1.3
235.14853	2.5
236.96530	0.8
239.10478	1.0
245.13275	1.7
247.14954	2.0
249.12715	1.2
249.16373	0.9
253.12393	1.4
261.12857	1.1
261.16150	1.1
263.14313	2.3
267.13818	2.6
280.14337	1.0
281.15399	6.9
282.15875	1.3
307.17001	2.1
322.19308	1.1
328.72351	0.8
371.17624	1.1
375.23236	1.1
421.23755	100.0
422.24051	11.7
442.51410	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2373
Annotation	Erythrophloin A
Peak:m/z	Relative Intensity
53.03936	1.0
55.01863	0.5
55.05321	0.3
55.05514	3.3
57.03433	0.8
57.07065	0.3
59.04975	0.6
65.03931	0.4
65.07338	0.3
66.64935	0.3
67.05507	9.6
69.03435	0.7
69.07054	1.5
71.04991	0.9
79.05487	4.6
81.03416	1.7
81.07060	5.7
83.04990	3.9
83.08614	0.8
85.02904	0.6
91.05485	5.7
93.07044	5.9
95.04974	3.1
95.08604	9.8
96.08989	0.4
97.02888	0.4
97.06522	1.0
97.10197	0.5
98.23335	1.1
99.04453	0.6
105.06377	0.5
105.07040	5.9
107.04932	0.9
107.08594	3.1
109.06490	1.3
109.10156	4.5
111.04436	1.4
111.08071	1.7
113.06049	0.5
115.05473	0.7
117.07014	2.6
119.05006	0.4
119.08578	3.7
121.06503	1.5
121.10142	1.9
123.08075	2.1
123.11684	0.5
125.09667	0.5
128.06242	1.1
129.06995	3.2
131.08560	3.6
133.06493	0.7
133.10149	3.5
135.08037	1.0
135.11632	0.6
137.05994	0.5
137.09642	0.7
139.07489	0.6
141.07004	1.8
141.09048	0.6
142.07788	1.1
143.08571	3.8
145.06496	1.1
145.10135	2.5
147.08037	1.4
147.11703	1.0
149.09639	0.5
152.06232	0.6
153.06966	1.3
154.07706	0.8
155.08556	19.4
156.09160	1.2
157.06464	0.5
157.10147	2.6
159.08037	1.2
159.11703	1.5
161.09624	1.2
161.13319	0.6
163.07524	0.6
165.07016	2.3
166.07820	1.9
167.08580	5.7
167.82942	0.4
168.09357	4.8
169.10149	4.8
171.08014	0.5
171.11803	0.7
173.09557	0.6
173.11690	0.6
173.13075	0.4
175.11182	1.0
176.08253	0.5
178.07767	2.1
179.08586	4.0
180.09328	1.6
181.10123	10.1
182.10652	1.4
183.11702	1.5
183.41579	0.4
185.09651	0.7
185.13235	0.5
187.11192	0.7
189.12759	0.5
191.08560	2.4
192.09355	3.7
193.10143	11.1
193.12181	1.1
194.10744	1.2
195.08051	0.4
195.11723	3.1
197.09634	1.3
197.13260	0.8
199.11134	0.6
201.09004	0.4
201.12672	0.4
202.14058	0.3
203.10631	0.7
204.09360	0.8
205.10179	3.6
205.12009	0.7
206.10899	5.6
207.09801	0.7
207.11703	12.1
208.12378	1.1
209.09624	2.6
209.13214	2.5
211.11096	0.5
213.09166	2.0
213.12599	0.5
215.10670	5.0
217.10109	0.9
217.12082	0.5
219.11688	5.3
220.12541	1.9
220.14355	0.4
221.13246	24.7
222.13655	1.9
223.11157	1.0
223.14857	1.5
225.12723	0.5
227.10677	21.7
228.11272	2.0
229.12190	0.8
230.10921	0.6
231.11665	0.8
232.12477	0.5
233.13292	2.0
234.10170	0.6
234.14006	0.7
235.11145	1.0
235.14816	3.1
237.12637	0.4
237.16449	0.5
239.10690	0.9
241.12134	1.6
243.13742	0.5
245.13206	2.1
247.14853	2.8
248.11867	0.4
249.12682	0.8
249.16566	0.8
253.12233	2.8
254.12990	0.5
259.14557	0.4
261.12674	0.7
263.14313	3.6
263.17386	0.5
265.12216	1.1
265.15759	0.8
267.13770	3.8
268.14438	0.3
273.12607	0.4
275.14029	0.3
279.13779	1.8
280.14557	1.1
281.15390	7.1
282.16006	1.4
283.16852	0.8
285.16248	0.4
289.15845	0.9
293.15442	0.7
307.16953	2.3
309.18484	0.5
311.20261	0.4
315.17358	0.4
321.18591	1.0
322.19351	2.6
329.21185	1.9
357.21786	0.5
361.21521	1.2
375.23337	1.2
385.21439	1.0
403.22440	1.9
404.22653	0.4
421.23691	100.0
422.24023	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2374
Annotation	Erythrophloin A
Peak:m/z	Relative Intensity
53.03943	0.6
55.05513	1.9
57.07065	1.8
65.03940	1.4
67.05509	4.5
69.07065	1.3
69.25960	1.6
69.26384	2.0
70.06597	3.1
71.08625	0.9
72.12681	0.5
79.05483	2.3
79.74347	0.4
81.07059	4.6
83.04980	2.0
83.08559	0.5
88.07632	4.5
90.49487	0.6
91.05493	4.4
93.07059	5.1
95.04966	1.4
95.08607	8.0
97.06653	0.7
99.04436	0.6
102.09187	2.9
105.03387	1.2
105.07039	5.2
107.08588	3.0
109.06515	1.4
109.10161	1.6
111.04445	1.0
111.08077	1.2
115.95628	0.5
116.06306	0.6
117.06999	2.7
119.08601	3.7
121.06464	0.5
121.10149	1.6
123.08077	1.5
125.64237	0.5
128.06242	1.4
129.06985	2.9
131.08577	4.0
133.06468	0.7
133.10143	3.2
135.08078	0.6
137.05942	0.7
141.06990	2.0
141.09244	0.5
142.07779	1.1
143.08563	4.3
145.06497	0.7
145.10115	3.2
147.08055	0.9
147.11668	0.9
149.02353	18.8
149.03488	1.5
153.07002	1.2
154.07809	1.6
155.08556	19.2
156.09160	0.8
157.10152	3.9
159.08087	0.9
159.11742	1.2
161.09702	0.9
161.13268	0.6
163.07489	0.9
165.07042	1.8
166.07808	1.8
167.08549	4.9
168.09335	5.4
169.10161	4.7
171.11699	1.5
173.13240	0.9
175.11275	0.7
177.09122	0.7
178.07712	2.4
179.08543	5.8
180.09241	1.0
181.10126	9.1
182.10732	0.7
183.08023	0.9
183.11739	2.4
185.09584	0.9
187.14876	1.8
189.16270	0.6
191.08562	2.9
192.09332	3.7
193.04973	18.1
193.10121	8.5
194.10802	1.4
195.11682	2.9
197.09679	1.3
199.11232	0.6
199.14708	0.6
205.10132	3.3
206.10898	5.9
207.11702	10.6
208.12241	1.4
209.09625	2.2
209.13257	2.1
211.14703	0.6
213.09142	2.2
215.10658	4.2
217.10153	0.8
218.10846	0.8
219.11705	4.3
220.12502	1.5
221.09779	1.1
221.13264	22.2
222.13716	1.5
223.14886	1.2
227.10663	18.6
228.11162	1.6
230.10867	0.6
231.11707	0.6
233.13284	2.1
235.11359	1.1
235.14938	2.3
239.10635	1.0
239.14160	0.6
241.12282	1.1
244.12505	0.6
245.13263	2.0
247.14861	1.8
249.12758	1.0
249.16301	1.3
253.12219	2.1
254.13011	0.9
256.26379	10.6
261.12830	0.9
261.16266	0.8
263.14319	3.9
263.16992	0.5
263.18018	0.5
265.12283	1.2
267.13779	4.4
279.13770	0.7
280.14737	0.8
281.15375	8.5
281.22482	0.8
282.15924	2.0
283.16800	0.8
289.16037	0.8
293.15387	0.7
307.16943	1.8
311.17575	0.5
322.19382	1.6
375.23355	0.6
385.21515	0.7
403.22543	1.5
421.23727	100.0
422.23944	10.4
422.29050	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.1
55.01861	1.4
55.05509	5.4
57.03439	1.3
57.07080	1.4
65.03935	1.2
67.01887	0.8
67.05505	15.0
69.03432	7.7
69.07061	6.0
69.24905	2.8
69.25307	2.3
71.04973	1.7
76.11638	0.8
77.03921	0.8
79.05487	15.0
81.03415	3.0
81.07053	28.1
83.04988	3.6
83.08615	1.7
85.06541	3.0
91.05476	22.7
93.07039	12.8
95.04944	7.5
95.08604	20.6
97.02887	4.8
97.06513	3.1
99.04462	7.9
99.30102	0.8
103.05463	2.8
105.07034	16.7
107.04953	1.9
107.08606	10.6
109.02840	0.8
109.06516	58.2
109.10157	5.4
110.06841	1.4
111.04447	5.5
111.08064	7.0
115.05431	6.6
116.06275	1.0
116.59303	0.8
117.07018	27.8
119.08567	15.7
121.06531	5.3
121.10133	3.5
123.04425	1.3
123.08073	12.4
125.05982	1.1
125.09608	2.1
127.03895	1.8
128.06216	10.9
129.07004	18.3
130.07747	2.5
131.04941	2.1
131.08565	28.6
133.06537	2.1
133.10123	13.7
135.08054	3.8
135.11682	1.4
137.05972	23.2
137.09616	3.0
139.07552	0.9
141.06984	30.0
142.07784	6.2
143.08563	26.1
144.05687	1.2
144.09370	2.0
145.06502	4.1
145.10120	12.3
146.07236	3.6
147.08046	20.0
147.11693	3.2
149.09627	1.5
151.11253	1.0
152.06200	1.8
153.06982	7.7
154.07765	23.4
155.05927	1.1
155.08554	20.9
156.09351	4.6
157.06497	1.9
157.10133	15.6
158.07228	0.9
158.10861	1.3
159.08043	21.4
159.11668	10.4
160.08720	1.4
161.09622	18.4
163.07527	1.0
163.66606	0.7
165.06981	7.0
165.09099	1.8
166.07776	5.4
167.08553	18.8
168.09323	4.0
169.06461	1.7
169.10124	31.6
170.10709	3.0
171.08035	2.9
171.11681	15.7
171.13087	1.4
172.08824	2.1
172.12019	0.8
173.09641	5.4
173.13289	2.7
175.11171	2.8
178.07776	4.1
179.08533	12.0
180.09270	4.4
181.06589	1.1
181.10117	17.3
182.10907	5.6
183.08090	2.1
183.11694	12.7
184.12305	1.4
185.09615	6.6
185.13249	5.2
186.10338	1.1
187.07603	2.8
187.11180	72.5
188.11572	3.6
189.09093	8.5
190.07736	1.0
191.08498	5.4
192.09322	7.2
193.10141	13.7
193.12053	1.5
194.10930	7.1
195.08044	2.7
195.11670	17.7
195.13321	1.3
196.08797	1.0
196.12369	2.5
197.09619	3.5
197.13268	14.7
199.11162	6.6
199.14801	5.9
200.11848	1.1
201.12770	5.4
202.07759	0.9
203.08749	1.3
204.09351	2.3
205.08524	1.5
205.10138	8.7
206.10912	4.0
207.10136	32.9
207.11760	15.4
208.12379	3.4
209.09763	4.6
209.13249	16.9
210.10321	1.9
210.13765	1.8
211.11172	3.4
211.14763	4.6
212.11826	0.8
212.15353	0.9
213.09099	1.5
213.12735	3.2
215.08571	1.1
215.14284	0.9
216.09308	1.5
217.10150	7.0
218.10809	2.6
219.11731	6.5
220.12395	3.4
221.09660	1.1
221.13272	10.4
222.10338	1.6
222.13982	1.6
223.11192	5.3
223.14767	8.4
224.11934	1.2
224.15395	1.3
225.12752	10.0
225.16409	1.4
227.10756	1.2
227.14291	13.5
228.14868	1.0
229.10141	1.8
230.10802	2.1
231.11699	2.9
232.12451	7.4
233.09782	1.6
233.13306	7.6
234.13950	2.5
235.11151	2.5
235.14801	7.7
236.11859	1.3
236.15547	1.7
237.12761	4.3
237.16296	9.3
238.13538	1.7
238.17113	3.9
239.14293	3.5
239.17993	3.0
241.12297	1.0
243.11682	1.8
244.12428	1.1
245.13251	5.1
246.14020	3.0
247.14810	30.3
248.11890	1.3
248.15448	5.4
249.12683	1.7
249.16449	7.2
250.13576	1.2
250.16870	1.0
251.10698	0.9
251.11566	0.9
251.14293	8.8
251.17877	2.0
253.12282	0.9
253.15874	1.1
255.13763	2.5
256.14618	0.8
257.15527	0.9
258.13895	1.1
259.14777	2.8
260.15472	1.4
261.12601	1.3
261.16422	3.5
262.17215	2.0
263.14359	2.1
263.17960	2.2
265.15866	19.4
265.19269	1.6
266.13211	1.7
266.16577	11.9
267.17426	7.7
267.21033	4.4
268.17923	0.9
272.15500	1.4
273.16382	3.4
275.17978	5.2
276.18564	1.2
277.19519	13.8
278.19757	1.1
279.17511	4.7
281.18729	1.3
283.16922	2.2
284.13974	1.8
286.17044	1.4
287.17880	5.7
288.18497	0.9
289.15750	1.2
291.17429	2.8
293.19006	4.3
295.17203	1.0
295.20535	16.5
295.23611	1.3
296.20984	0.9
297.14966	1.3
305.18967	16.0
306.19659	2.7
315.17386	0.9
323.16309	1.0
323.20081	19.6
324.20419	1.9
329.21085	3.1
347.16232	1.1
357.22287	1.4
367.20627	1.1
375.19370	1.4
375.23477	1.4
385.21545	3.5
393.24384	4.5
403.18796	2.2
403.22977	12.3
404.23083	1.8
421.24051	100.0
422.18854	1.0
422.24545	8.2
446.80862	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2736
Annotation	6-Oxoisoiguesterin
Peak:m/z	Relative Intensity
51.33443	1.4
51.72226	1.2
54.40349	1.4
55.05519	8.5
61.79518	1.7
66.46877	1.4
67.05508	11.8
69.07067	6.3
69.34846	9.5
79.05500	8.7
81.07056	11.3
83.04974	7.1
85.06548	2.6
91.05482	14.0
93.07051	16.8
95.04972	4.1
95.08605	22.1
97.06531	2.2
98.22655	1.9
105.03395	1.8
105.07030	19.5
105.25814	1.4
107.08586	12.8
109.06534	5.9
109.10177	9.3
111.04433	3.2
111.08103	5.2
117.07015	7.7
119.08590	13.7
121.06531	3.3
121.10156	6.5
123.08089	5.2
123.11712	2.6
125.05969	1.6
128.06245	4.3
129.07031	7.3
131.08563	11.4
133.06503	2.2
133.10143	10.5
135.08081	3.0
135.11723	3.6
137.09669	1.9
141.07018	5.9
142.07777	4.1
143.08589	14.6
145.10123	14.8
146.00224	1.4
147.08060	2.4
147.11719	5.9
150.18555	1.5
154.07817	1.5
155.08572	17.3
156.09393	3.4
157.10124	15.8
159.08119	2.9
159.11714	8.0
161.09642	5.9
161.13306	2.7
165.07016	2.9
166.07663	1.7
167.08562	5.3
169.10101	14.0
170.10909	1.9
171.08113	2.9
171.11699	6.5
173.09802	2.2
173.13303	4.8
175.11197	3.8
179.08565	5.8
180.09280	2.7
181.10123	8.5
182.10956	3.5
183.08057	2.9
183.11710	13.5
185.09674	4.1
185.13193	7.5
187.11221	2.3
187.14830	2.0
189.12804	2.3
192.09370	4.0
193.10069	7.1
194.10893	3.1
195.11694	10.8
196.12469	3.2
197.09630	3.2
197.13249	15.3
199.14847	5.2
205.10199	1.8
206.10982	3.0
207.11725	10.0
208.12312	2.1
209.13225	12.7
210.13972	2.4
211.11308	2.4
211.14845	5.7
213.12666	1.7
213.16385	2.5
215.14355	5.5
219.11749	3.0
221.13277	7.6
223.11275	1.6
223.14822	5.7
225.12823	7.0
225.16458	4.9
227.14307	8.8
233.13229	2.6
235.14922	5.4
237.16278	3.4
239.14360	3.2
239.17891	2.8
241.15836	4.0
247.14828	2.8
249.16357	3.6
251.17903	2.7
253.15881	4.0
253.19571	6.1
260.38126	1.6
261.16446	1.9
263.18002	10.2
265.15933	3.0
265.19449	2.5
267.17468	3.0
275.14859	1.5
275.17865	2.0
279.17703	1.7
281.19012	13.7
281.22098	1.8
282.19778	6.2
285.03885	2.6
289.19711	1.7
297.18597	1.8
301.07010	3.5
307.17163	1.7
307.20578	4.0
322.22910	4.7
363.23224	3.7
375.27164	2.1
385.25156	3.3
393.27887	6.8
403.26401	26.6
404.26498	5.4
407.18515	1.4
421.27390	100.0
422.09567	2.3
422.27985	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.05502	4.8
57.07059	1.9
59.04984	0.9
67.05503	9.2
69.03427	1.0
69.07066	4.7
69.99746	0.6
71.32198	0.6
71.32598	0.7
79.05499	5.0
81.07058	8.1
83.04981	4.9
83.08612	1.9
85.06534	0.9
91.05479	9.0
93.07043	8.4
95.04971	2.5
95.08604	17.8
97.06499	1.5
105.07034	16.4
107.08598	8.1
109.06496	2.6
109.10171	5.5
111.04435	1.1
111.08073	2.4
115.05466	0.6
117.06992	3.5
117.76855	0.6
119.06026	0.6
119.08567	10.0
121.06482	1.4
121.10133	4.9
123.08086	4.0
123.11664	3.2
125.09632	2.7
128.06209	2.6
129.06987	3.9
131.08551	10.4
133.10117	5.8
135.08006	1.8
135.11707	1.4
137.09605	2.0
139.07542	1.2
141.06999	3.8
142.07758	3.7
143.08565	13.0
144.09338	0.9
145.06497	0.8
145.10129	11.1
147.08031	1.4
147.11707	3.1
151.11200	1.2
153.06978	1.4
155.08551	15.9
156.09387	3.6
157.10117	15.6
158.10841	1.5
159.08018	1.0
159.11681	7.8
161.09624	2.5
161.13232	1.3
163.11163	0.9
165.07024	3.1
166.07713	0.9
167.08597	3.7
168.09357	2.4
169.10132	17.5
170.10834	1.4
171.08041	1.3
171.11694	9.4
172.12299	1.1
173.09584	1.4
173.13309	2.0
175.11177	1.8
179.08549	4.9
180.09294	2.5
181.08646	1.6
181.10115	8.1
182.09079	0.7
182.10870	2.9
183.08031	1.4
183.11684	12.9
184.12395	1.4
185.09662	1.2
185.13240	5.2
187.11200	1.4
189.12724	1.1
191.08594	0.8
192.09294	2.6
193.10138	6.3
194.10866	3.1
195.11682	10.9
196.12401	2.4
196.24100	0.6
197.09615	1.8
197.13271	13.1
198.13843	1.3
199.11186	1.0
199.14882	3.8
201.12727	0.7
205.10172	1.8
206.10927	3.0
207.11656	9.2
208.12399	2.6
209.13240	10.4
210.13931	2.3
211.11203	2.7
211.14792	10.1
212.15549	2.5
213.12796	1.5
213.16382	1.4
218.10844	0.7
219.11703	1.8
220.12402	1.6
221.13266	7.5
222.13870	1.3
223.11343	1.3
223.14790	8.7
224.11856	0.8
224.15500	1.8
225.12785	3.9
225.16307	3.7
226.13474	1.0
226.16748	0.8
227.14352	4.4
228.14969	1.0
233.13235	2.3
234.14030	1.5
235.11127	0.9
235.14859	3.5
236.15550	1.0
237.12762	1.0
237.16423	3.2
238.13382	0.9
238.17099	1.5
239.14308	12.4
239.17909	15.2
240.14873	1.4
240.18364	1.2
241.15852	1.7
242.16684	0.9
243.17458	0.8
246.13977	1.0
247.14795	1.6
247.34630	0.8
248.15594	1.1
249.16377	3.5
250.16989	0.9
251.17912	3.1
252.18654	1.4
253.15915	2.3
253.19508	6.1
254.20161	1.2
261.16437	0.8
263.17941	9.6
264.18506	1.7
265.15826	0.9
265.19559	1.4
267.17426	15.5
268.17816	2.0
277.19336	0.9
279.17413	2.0
279.21194	0.7
280.18234	1.1
281.18985	43.8
282.19754	74.7
283.20245	8.5
284.20926	0.7
285.58536	0.7
289.19412	1.2
291.20816	0.6
293.19269	0.7
295.20535	0.8
304.21768	1.1
307.20520	2.8
309.22183	0.9
322.22919	7.2
323.23526	1.7
363.23358	3.6
375.26706	0.8
385.25238	1.7
393.27789	2.0
403.26367	7.4
404.26672	1.0
421.27325	100.0
422.27713	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.6
55.05513	13.6
57.07079	5.6
59.04986	1.1
65.03941	2.1
67.05505	21.3
69.03440	1.0
69.07069	16.8
71.04997	0.9
71.08630	2.4
71.30508	1.2
77.03911	1.0
79.05489	16.8
81.03435	0.8
81.07056	37.0
83.04984	9.6
83.08620	8.2
85.06487	0.9
85.10172	2.2
89.06038	1.9
91.05045	0.6
91.05482	21.5
93.07042	37.9
94.07365	1.6
95.04940	3.5
95.08606	51.8
96.08940	1.7
97.06530	3.0
97.10166	3.1
98.23014	0.8
99.04495	0.8
103.05484	1.6
105.07030	47.4
106.07347	1.7
107.08593	36.9
108.08925	1.8
109.06539	2.6
109.10158	27.1
110.10488	1.0
111.04456	3.4
111.08073	5.7
111.11744	0.8
115.05449	2.8
116.06223	1.3
117.07017	10.8
119.08582	45.3
120.08915	1.5
121.06520	2.6
121.10143	29.2
122.10419	1.1
123.08079	5.8
123.11718	8.4
125.05895	0.6
125.09605	2.6
128.06248	2.9
129.06995	7.8
130.07774	3.0
130.33994	0.7
131.08565	27.6
132.08932	0.8
133.08586	1.7
133.10129	36.5
134.10475	1.3
135.08067	3.0
135.10661	1.1
135.11694	22.2
137.05960	1.3
137.09615	2.6
137.13251	3.9
139.07582	1.5
139.11180	1.1
141.06964	4.2
141.09126	1.6
142.07790	7.1
143.08569	21.2
143.43651	0.8
144.09349	4.2
145.10121	37.9
146.10535	2.5
147.08002	1.0
147.11681	28.8
148.12029	1.3
149.09596	4.0
149.13263	8.1
151.11168	2.0
151.14810	2.1
153.07030	1.2
154.07765	2.5
155.08537	12.4
156.09349	5.7
157.10129	24.8
158.10849	3.7
159.11696	30.7
160.12236	2.3
161.09613	3.5
161.13257	14.9
162.13646	0.8
163.11192	5.1
163.13538	0.7
163.14734	3.8
165.06953	1.3
167.08566	2.8
168.09349	3.5
169.10133	18.5
170.10880	4.0
171.11693	26.8
172.12346	3.0
173.13235	20.8
174.13846	0.7
175.11221	2.4
175.14816	12.4
177.12784	2.9
177.16425	2.2
179.08597	1.4
179.10634	1.0
179.14192	0.8
180.09364	1.4
181.10101	6.5
182.10855	3.8
183.11694	20.4
184.12431	5.8
185.13252	18.2
186.13831	1.8
187.11176	1.1
187.14804	16.7
188.15338	0.7
189.12785	2.8
189.16389	12.3
191.14326	2.6
193.10147	1.7
193.15855	1.2
194.10840	1.3
195.11685	8.5
196.12347	4.5
196.62576	0.7
197.13260	20.1
198.13873	2.5
199.14825	13.5
201.12686	0.7
201.16403	12.8
202.16936	1.1
203.17946	3.3
206.10898	0.9
207.11708	1.1
207.13747	1.0
208.12416	1.1
209.13251	7.9
210.14008	4.9
211.14810	14.2
212.15402	2.1
213.16388	10.9
215.14391	0.7
215.17923	10.5
216.18303	1.2
217.19423	1.6
221.13339	1.6
222.13899	0.9
223.14795	6.4
224.15485	2.1
225.16376	21.1
226.16873	1.8
227.17934	31.7
228.11537	0.8
228.18431	3.0
229.19530	6.7
233.13338	0.8
235.14761	1.3
237.12614	0.7
237.16333	6.0
238.17012	3.0
239.17958	12.0
240.18401	1.1
241.19530	9.5
242.19960	1.3
243.21127	2.5
249.16370	1.5
251.18045	3.7
252.18683	1.3
253.19560	9.5
254.19887	0.8
255.21031	3.7
263.18127	1.1
265.19452	4.6
266.20142	1.7
267.21066	6.7
269.22455	1.1
277.19492	0.8
279.21075	4.0
280.21719	2.6
281.22614	36.2
282.23129	5.3
283.24075	4.4
293.22617	1.3
307.24228	2.0
309.25562	1.0
321.25635	1.6
322.26703	4.0
323.19891	0.9
323.27072	0.8
365.24634	2.8
365.28525	2.0
379.26010	1.0
393.27490	1.0
403.33649	1.5
421.30905	100.0
422.30722	15.2
440.59760	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.6
53.03944	1.2
55.05511	8.9
55.82657	0.5
57.03407	0.8
57.07080	3.0
65.03952	1.3
67.05503	12.1
69.03423	0.8
69.07063	7.4
71.08628	0.6
78.44140	0.6
78.76131	0.6
79.05491	6.7
81.07052	14.7
83.04977	19.1
83.08655	2.8
83.49186	0.7
85.10168	0.8
91.05474	12.2
93.07041	22.7
95.04963	3.5
95.08604	30.5
96.08889	0.7
97.06525	2.2
97.10162	1.3
98.22438	1.1
98.23150	3.8
99.04448	1.6
105.04507	0.7
105.07024	18.2
107.08593	18.7
109.06520	2.0
109.10153	10.9
111.04446	12.0
111.08080	9.9
113.05995	1.4
115.05452	1.3
117.07016	6.3
119.08575	28.4
120.08924	1.1
121.06506	2.0
121.10138	13.9
123.08072	3.2
123.11713	5.7
125.05995	1.8
125.09628	1.0
127.07559	0.6
128.06223	2.3
129.06993	5.2
130.07764	1.5
131.08577	11.5
132.09262	0.8
133.10129	23.7
134.10477	0.6
135.08058	1.2
135.11691	9.2
137.09605	1.4
137.13257	4.0
139.07520	7.6
141.06998	2.2
141.09131	2.2
142.07744	3.4
143.08553	11.8
144.09230	0.9
145.10114	15.4
146.10765	0.9
146.41650	0.6
147.08028	2.4
147.11684	14.1
149.13229	2.9
153.06967	0.9
154.07838	1.5
155.08549	6.3
156.09355	4.9
157.10123	14.9
158.10892	1.4
159.11681	16.4
160.12337	1.4
161.09608	3.0
161.13245	9.5
163.11209	1.1
163.14832	1.4
165.07059	0.7
167.08577	2.5
168.09332	2.8
169.10127	12.6
170.10919	3.8
171.11700	17.8
171.92357	0.6
172.08858	1.2
172.12253	2.1
173.09634	2.4
173.13263	12.7
175.11162	3.3
175.14824	16.3
177.16429	1.5
179.08530	1.4
180.09387	1.0
181.10127	5.6
182.10899	2.5
183.11687	15.1
184.12383	3.4
185.13246	14.3
186.10393	2.0
186.13936	1.7
187.11211	2.2
187.14821	7.5
189.12741	3.3
189.16373	8.5
191.10681	1.0
193.10162	2.2
193.12221	0.8
194.10954	1.5
195.11710	5.9
196.12421	3.1
197.13252	17.6
198.13916	3.0
199.14807	9.0
200.15385	1.8
201.12846	3.7
201.16388	7.7
202.12997	0.8
202.16714	0.7
203.17979	4.2
205.12262	1.1
206.11011	0.9
207.11690	2.1
207.13815	2.9
208.12393	0.7
209.09846	0.6
209.13251	8.3
210.14037	2.9
211.14822	12.0
212.15454	2.3
213.16356	6.3
214.16809	0.8
215.14296	2.6
215.17899	4.7
219.13771	1.5
221.13240	1.9
222.14017	0.8
223.14786	5.6
224.15530	1.6
224.62865	0.6
225.12950	0.6
225.16380	15.8
226.16908	2.6
227.14436	1.1
227.17934	25.6
228.18340	1.8
229.19537	3.6
229.24545	0.8
231.13879	0.8
233.15318	4.8
235.14810	1.7
236.15495	0.8
237.16386	8.0
238.17088	2.1
239.14330	1.0
239.17947	9.7
240.18564	1.2
241.19469	6.2
243.21004	1.1
245.15485	1.1
249.16397	1.8
250.17184	1.1
251.14227	0.7
251.18010	5.7
252.18742	1.8
253.19472	10.5
254.19800	0.7
255.21109	5.9
257.15417	1.6
259.17032	0.8
263.17886	1.1
264.60461	0.6
265.19461	5.6
266.20264	2.9
267.17990	0.9
267.20953	6.3
268.21478	0.8
269.96063	0.6
277.19479	1.1
279.21063	7.8
280.21783	2.7
281.19495	0.9
281.22623	15.4
282.23172	2.7
283.24103	1.6
285.18494	2.3
291.21002	1.2
293.22574	4.4
294.23309	1.0
295.24286	1.5
297.18338	1.2
299.20020	0.9
305.22336	0.9
307.24234	6.3
308.24890	1.0
309.25797	2.9
313.21567	0.9
319.24356	0.9
321.25656	2.0
322.26520	17.0
323.27118	2.7
333.25732	0.9
337.15533	0.6
337.21432	1.2
339.23215	0.8
351.23221	1.7
361.25122	0.8
365.24701	8.5
375.30322	1.4
378.25244	0.8
379.26312	2.7
393.28128	1.0
403.29996	1.7
421.30975	100.0
422.31308	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	1.0
53.03950	1.4
55.05508	8.1
57.03432	0.9
57.07079	26.2
58.64554	0.9
65.03945	0.9
67.05506	13.1
69.07069	12.1
71.08633	20.5
72.02454	0.9
79.05495	8.0
81.07058	16.6
82.29674	0.9
83.04994	5.1
83.08630	4.6
85.10187	14.2
87.04433	1.5
89.06032	33.1
91.05473	9.7
93.07041	16.8
95.04987	1.2
95.08609	30.7
96.08900	1.7
97.06506	1.1
97.10168	3.0
99.04407	1.2
99.11724	1.5
105.07031	17.0
107.08607	13.6
109.06524	1.7
109.10156	10.5
111.04436	2.1
111.08071	4.0
111.11694	1.2
113.06008	1.5
113.13247	1.2
117.06989	6.9
119.08591	17.9
120.08897	1.1
121.06474	1.6
121.10156	11.5
123.08095	4.6
123.11692	4.7
125.09619	1.3
128.06192	3.5
129.07005	7.1
130.73615	1.0
131.08559	15.7
133.08621	15.1
133.10129	13.2
134.10469	1.2
135.08009	1.2
135.11697	5.5
137.13246	4.4
139.07567	3.1
141.06970	4.4
141.09088	2.5
142.07788	4.3
143.08574	18.1
145.10124	18.5
147.08058	2.0
147.11685	7.9
149.13264	1.6
151.14868	2.2
153.06987	2.1
154.07770	3.2
155.08562	16.5
156.09360	5.0
157.10146	18.7
158.10600	1.4
159.11691	16.4
160.12395	1.2
161.09653	3.9
161.13248	7.4
165.07077	1.3
165.09079	1.1
166.07756	1.1
167.08527	4.4
168.09306	3.7
169.10133	31.7
170.10883	2.8
171.11697	20.6
172.12251	1.0
173.09569	1.1
173.13319	8.6
175.11142	1.2
175.14838	5.2
177.11255	3.6
179.08571	2.1
179.10599	1.5
180.09215	1.2
181.10097	8.0
182.10870	4.8
183.11694	26.0
184.12480	11.5
185.13261	13.6
187.14774	5.2
189.12689	1.4
189.16396	1.7
193.10069	1.8
194.10930	1.1
195.11673	9.5
196.12447	4.4
197.13248	23.7
197.14941	1.8
198.13908	3.9
199.14818	7.9
201.16389	5.1
203.17967	1.3
205.12302	1.1
207.11749	2.9
208.00784	0.9
208.12419	1.7
209.13290	9.2
210.14003	4.4
211.14813	14.3
212.15361	1.6
213.16420	6.4
215.17953	3.5
221.13312	2.3
222.13994	1.2
223.14801	7.7
224.15427	2.2
225.16374	24.2
226.16757	1.4
227.10715	1.3
227.17946	15.8
228.11484	2.2
229.19550	1.8
235.14778	1.1
237.16357	7.3
238.17130	3.2
239.14891	5.0
239.17940	12.6
240.18713	1.1
241.19452	5.0
243.21175	1.6
249.16446	1.5
251.17969	3.3
253.19530	7.0
255.21057	1.6
263.18024	1.3
265.19583	3.5
266.20328	1.1
267.21063	5.1
279.21063	3.3
280.21805	2.1
281.22620	38.2
282.23035	3.8
283.16647	0.9
283.24115	2.9
285.18655	1.4
291.21161	1.8
293.22610	2.6
297.18936	1.0
307.24188	1.4
309.25742	1.7
321.25647	1.3
322.26361	5.3
323.27002	1.4
351.23056	1.0
365.24756	3.5
378.25604	1.7
379.26059	1.5
421.30936	100.0
422.23364	1.0
422.25348	1.3
422.31296	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.05507	7.0
57.03427	1.2
57.07065	4.2
60.87526	0.8
61.32030	1.0
61.91443	1.0
62.03453	1.0
65.03931	1.0
67.05173	1.3
67.05502	13.5
69.07063	9.0
69.91984	3.1
71.08630	2.1
79.05496	7.6
79.93064	1.0
80.40871	0.9
81.07050	17.3
83.04991	5.7
83.08608	4.2
85.06510	0.9
85.10183	2.8
91.05465	9.5
93.07034	18.9
95.04974	2.4
95.08603	32.9
97.06519	2.2
97.10147	1.7
105.07029	24.5
107.08588	18.6
107.09282	1.4
108.08919	1.2
109.06522	1.8
109.10142	12.1
111.04441	2.3
111.08067	5.0
113.06020	1.2
115.05483	1.3
117.07018	6.1
119.08571	24.3
121.06514	1.2
121.10140	13.3
123.08043	4.3
123.11726	5.2
128.06229	2.4
129.07014	7.6
130.07814	2.5
131.08543	14.2
133.10121	14.8
135.07974	1.0
135.11690	7.8
137.13252	2.9
139.03894	4.4
139.07521	2.8
141.07005	4.3
141.09050	2.1
142.07744	4.8
143.08548	17.6
144.09274	1.5
145.10107	19.6
147.08038	2.5
147.11682	16.8
148.12062	1.2
149.13225	2.8
151.14774	1.0
153.06993	1.1
154.07771	1.5
155.08540	14.8
156.09332	4.9
157.10112	23.0
158.10823	2.9
159.08067	1.0
159.11671	21.4
161.09601	5.0
161.13269	7.6
163.14893	1.2
165.07063	1.0
167.08542	2.7
168.09407	3.0
169.10107	21.8
170.10793	4.1
171.11685	18.6
172.12459	2.4
173.13266	11.2
173.81172	0.9
175.11234	2.5
175.14824	6.8
179.10788	1.6
181.10100	4.7
182.10912	4.5
183.11668	26.8
184.12482	8.5
185.13228	13.5
187.11140	1.1
187.14832	8.9
189.12737	1.5
189.16411	2.0
193.10277	1.0
195.11690	9.0
196.12451	6.0
197.13237	22.8
198.13870	3.6
199.14807	13.7
201.16403	7.7
205.12177	1.1
207.11691	1.7
209.13292	7.4
210.13991	4.7
211.14786	18.2
212.15344	1.3
213.16338	8.4
214.16855	1.6
215.17960	4.6
221.13240	2.0
223.14772	8.3
224.15544	3.1
225.16364	22.9
226.16867	3.0
227.17928	21.8
228.18327	1.9
235.14859	1.8
237.16347	5.1
238.17053	4.5
239.17953	13.2
240.18454	1.3
241.19614	8.6
242.19836	1.3
243.21083	2.5
249.16400	1.3
251.18018	4.1
252.18573	1.7
253.19527	11.4
254.19966	1.8
255.21155	1.1
265.19455	2.7
266.20282	1.4
267.20828	5.0
279.21143	3.4
281.22620	40.7
282.23148	3.2
283.24210	1.7
293.22525	1.2
295.24277	1.1
307.24185	2.4
309.18521	1.6
309.25647	1.3
321.25653	2.1
322.26517	3.1
351.22989	1.7
365.24820	1.9
393.27869	3.0
403.30774	1.3
421.30939	100.0
422.31378	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	5.8
57.07063	4.2
67.05500	9.5
67.72256	1.3
69.07053	6.2
69.47438	1.5
72.91981	1.5
75.38304	1.4
79.05475	6.7
80.52764	1.6
81.07051	17.7
82.07365	1.5
83.04977	5.0
83.08612	4.0
85.10173	2.2
87.04464	4.4
89.06020	2.9
91.05467	8.7
93.07039	15.3
95.08601	27.0
98.22585	2.8
105.07027	15.8
107.08601	14.8
109.06530	2.2
109.10161	10.9
111.04408	3.7
111.08061	4.6
114.64345	1.8
117.06982	6.3
119.08584	18.9
121.10135	9.8
123.08047	3.5
123.11684	6.5
127.27081	1.5
128.06209	2.4
129.06955	3.9
131.08562	9.3
133.10120	15.8
135.08063	1.8
135.11674	4.6
137.13220	4.5
139.07533	2.4
141.06999	2.0
141.09163	2.1
142.07811	4.1
143.08549	11.4
145.10127	12.7
147.11685	17.8
149.13260	2.9
155.08543	7.5
156.09334	3.7
157.10110	16.3
159.11734	17.0
161.09641	2.8
161.13194	9.0
165.09100	1.7
167.08521	2.8
168.09387	2.0
169.10095	18.8
170.10793	3.7
171.11678	19.2
173.13261	11.2
175.11220	2.0
175.14809	5.6
179.10698	2.4
181.10120	4.1
182.10857	2.7
183.11688	21.3
184.12437	6.0
185.13243	13.1
187.14769	7.9
189.12701	2.1
193.10091	2.0
195.11731	6.0
196.12439	3.8
197.13271	18.1
198.13715	2.7
199.14818	12.8
200.05365	1.6
201.16391	9.2
203.17929	2.0
207.11690	2.2
207.13736	1.7
209.13251	6.2
211.14755	11.0
213.16394	6.6
215.17882	5.7
221.13255	2.3
223.14795	6.2
224.15501	2.6
225.16385	17.7
226.16927	2.0
227.17911	21.3
228.18307	2.7
228.82764	1.8
237.16435	4.7
239.17873	8.4
241.19415	7.6
249.16325	1.7
249.49533	1.6
251.17804	3.8
253.19572	9.5
254.19785	2.4
265.19571	2.7
267.21072	5.0
279.21121	2.1
280.21771	3.5
281.22638	33.3
282.23132	2.6
283.24124	2.7
293.22815	2.6
322.26584	6.5
347.23761	2.7
365.24954	2.3
379.26324	2.3
393.27692	4.1
421.23380	7.1
421.30954	100.0
422.31287	15.1
427.92551	1.9
439.07437	1.8
443.05301	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.1
55.05520	5.2
57.07071	3.0
67.05505	11.7
69.03428	1.0
69.07075	6.6
71.31481	1.5
73.18744	0.7
79.05499	5.4
81.07055	12.7
83.04979	7.5
83.08632	2.8
91.05474	10.5
93.07040	20.8
93.43687	0.8
95.04939	4.2
95.08604	48.4
96.08935	1.5
97.06512	1.3
97.10142	1.5
99.04463	2.7
103.05444	1.0
105.03391	4.9
105.07037	18.7
106.83585	0.8
107.08599	16.2
109.06546	2.1
109.10141	11.8
111.04459	4.7
111.08073	5.2
113.06054	1.4
115.05471	0.9
117.07009	7.1
119.08582	18.5
121.06521	1.5
121.10144	12.5
123.08086	2.5
123.11700	4.4
125.70109	0.9
128.06258	2.3
129.06987	4.3
130.07800	2.8
131.08562	14.6
133.10123	21.1
133.11060	1.4
133.50336	0.8
134.10951	1.8
135.08060	1.5
135.11673	7.5
137.06010	1.9
137.13269	1.0
139.07541	5.7
141.07037	3.1
142.07796	3.2
143.08557	9.4
144.09402	2.3
145.10120	39.5
146.10696	1.2
147.08078	1.9
147.10590	1.8
147.11687	18.1
149.09650	1.2
149.13278	2.7
153.06972	1.1
154.07700	1.0
155.08533	6.3
156.09366	2.8
157.10117	17.2
158.10918	6.1
159.08107	2.0
159.11687	43.5
160.12137	1.6
161.09671	2.0
161.13272	5.2
167.08623	2.7
168.09424	0.9
169.10120	13.1
170.10878	2.3
171.08057	1.3
171.11673	7.9
172.08911	1.6
172.12447	1.6
173.09663	4.0
173.13234	9.1
175.14890	2.5
179.08600	1.1
181.10089	6.4
182.10992	3.1
183.11708	16.2
184.12418	1.7
185.09764	1.7
185.13277	7.1
186.10413	2.3
186.14101	2.2
187.11198	4.6
187.14813	19.8
189.12825	1.3
189.16386	10.1
191.18010	3.3
193.10178	1.6
194.10870	0.9
195.11697	7.2
196.12462	2.3
197.13266	11.8
198.13857	1.7
199.11354	0.9
199.14815	4.9
201.12675	1.9
201.16396	20.0
201.18169	1.5
202.16730	1.3
203.17990	1.4
205.12317	1.6
207.11778	3.1
208.12485	1.3
209.13243	10.5
210.14018	2.5
211.14793	11.3
211.16568	0.9
213.16444	2.6
215.14360	9.2
215.17958	11.6
219.13869	3.4
221.13307	2.4
223.14822	15.1
224.15581	3.3
225.16373	7.8
227.14278	1.5
227.18208	1.1
231.13838	1.5
233.15372	8.4
235.14871	2.6
236.15509	1.9
237.16359	9.6
238.17108	9.2
239.03369	2.0
239.17929	28.4
239.20319	1.5
240.04282	1.3
240.18497	2.0
241.16002	0.9
241.19652	2.1
247.14886	1.2
249.16470	2.1
250.17305	1.2
251.18039	4.4
252.18518	0.9
253.19568	3.8
255.21230	1.3
261.16415	1.2
263.17984	2.9
264.18777	3.4
265.19510	3.0
266.20294	3.8
267.02924	1.1
267.18610	0.8
267.20978	5.4
277.19611	1.4
279.21075	40.5
280.18738	1.1
280.21448	4.5
281.19366	2.1
281.22598	15.4
282.23239	5.1
283.23981	5.0
285.03967	4.6
299.20227	0.9
301.07159	3.5
304.21988	1.0
305.22659	1.3
307.20242	0.9
307.24081	2.1
309.25726	4.0
317.06683	3.7
321.25836	2.0
322.26553	11.3
323.27139	1.8
347.27112	1.3
363.23511	2.4
378.25522	6.7
379.26187	3.8
403.26099	2.0
406.28058	1.0
421.31113	100.0
422.10092	4.6
422.31506	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01870	1.1
55.05240	0.5
55.05510	11.3
57.03439	0.8
57.07077	2.1
65.03938	0.9
67.05505	15.9
69.03436	1.0
69.07065	9.4
69.61366	1.4
69.61759	0.9
71.04996	1.5
71.08638	0.9
77.03962	1.1
79.05486	10.4
79.05907	0.8
81.03423	0.9
81.07054	23.0
82.07375	0.7
83.01405	0.5
83.04980	5.7
83.08611	5.1
85.06543	0.7
88.26537	0.5
89.31270	0.5
91.05476	15.7
93.07040	23.7
94.07382	1.1
95.04967	6.1
95.08607	42.2
96.08958	0.9
97.06522	2.8
97.10147	2.8
98.22974	1.7
99.04469	1.1
103.05452	0.8
105.07029	22.2
106.07361	0.8
107.04952	1.2
107.08591	21.2
108.08944	0.7
109.06517	2.7
109.10149	13.3
110.10516	0.6
111.04437	3.2
111.08067	5.1
113.06032	1.3
115.05466	1.0
117.07019	6.9
118.27232	0.6
119.06127	0.6
119.08578	24.2
120.08910	0.6
121.06507	2.9
121.10138	17.3
123.08073	6.2
123.11701	6.5
125.06053	1.1
125.09658	1.9
127.07566	0.7
128.06259	2.4
129.07016	6.9
130.07791	1.5
131.08568	16.8
132.08978	0.6
133.06531	1.1
133.10124	19.1
134.10455	0.7
135.08139	2.6
135.11688	9.7
137.06010	1.3
137.09633	1.6
137.13252	3.9
139.07542	4.3
141.06976	3.8
141.09093	2.6
142.07808	4.9
143.08560	15.5
143.09662	0.9
144.09370	1.4
145.06529	0.5
145.10117	18.3
146.10634	0.8
147.08054	1.9
147.11684	9.9
149.09654	1.6
149.13249	3.8
151.14786	0.7
153.07021	1.3
154.07817	1.8
155.08556	12.4
155.10648	1.0
156.09335	5.3
157.10126	20.4
158.10889	2.7
159.08084	0.8
159.11690	20.4
159.12987	1.0
160.08842	0.6
160.12222	1.3
161.09637	4.6
161.13243	8.7
162.13678	0.7
163.11192	1.7
163.14816	2.9
164.69724	0.5
166.07848	0.8
167.08522	2.9
168.09384	3.3
169.10117	20.2
170.10886	3.7
171.11679	20.3
172.08849	0.8
172.12195	1.3
173.09631	4.7
173.13254	16.1
174.13705	1.6
175.11215	1.9
175.14813	5.8
177.12694	1.1
177.16373	0.8
178.07880	0.9
179.08607	1.9
179.10710	1.8
180.09355	1.0
181.10139	6.9
182.10938	3.8
183.11685	21.8
184.12431	3.6
185.09636	0.9
185.13260	14.1
186.13873	1.2
187.11201	3.0
187.14781	7.1
189.11259	0.7
189.12798	1.8
189.16382	3.4
192.09277	0.6
193.10191	2.2
193.12233	0.7
194.10930	1.6
195.11688	10.7
196.12405	3.9
197.13258	23.2
198.13896	3.1
199.11186	1.9
199.14835	10.1
200.15425	1.5
201.12807	1.3
201.16364	7.6
203.10701	0.9
203.18030	1.3
205.10277	0.7
205.12222	1.3
206.10970	1.3
207.11717	3.3
207.13716	1.1
208.12463	1.6
209.13234	8.5
210.13972	4.0
211.11264	1.6
211.14799	15.6
212.15320	2.6
213.12846	2.0
213.16385	6.9
215.14487	1.3
215.17958	5.1
219.11798	0.7
219.13841	1.2
220.12431	1.0
221.13297	3.9
222.14012	1.7
223.11308	1.2
223.14857	7.7
224.15433	2.5
225.12968	4.1
225.16353	19.9
226.13293	0.7
226.17058	2.4
227.14378	1.6
227.17937	11.8
228.18396	1.2
229.19562	1.5
231.13948	1.0
233.13287	1.1
233.15417	1.1
234.14008	0.9
235.14809	3.0
235.16920	0.7
236.15425	1.0
237.12782	1.5
237.16354	6.8
238.17175	2.1
239.14415	2.6
239.17958	11.8
240.18492	1.4
241.12154	0.7
241.16011	0.8
241.19498	7.4
242.20009	0.7
243.13896	0.7
243.17491	0.9
243.21042	3.0
245.15431	1.3
247.14819	1.3
249.12712	1.0
249.16377	1.9
250.17235	0.7
251.14294	1.3
251.17975	5.2
252.18697	1.8
253.19495	10.0
254.19922	0.8
255.13713	0.6
255.21216	2.3
257.15390	0.8
259.17105	1.0
261.16318	0.9
263.14429	0.7
263.18002	2.4
264.18433	0.8
265.16016	1.7
265.19595	5.3
266.20166	0.7
267.13940	0.6
267.17859	1.0
267.21130	5.8
269.22717	0.8
271.16885	0.9
275.17804	0.6
277.15927	1.3
277.19348	1.4
278.20273	0.7
279.17532	2.5
279.21130	3.5
280.21890	1.8
281.15985	1.0
281.19260	2.3
281.22614	33.5
282.23071	5.3
283.16980	0.6
283.24109	2.7
285.18463	1.5
291.21188	1.0
293.19296	1.0
293.22699	1.9
295.17133	0.8
295.24057	0.8
297.18628	2.0
299.20041	0.9
301.21533	0.7
303.21036	0.7
305.22586	1.6
307.17111	0.7
307.20670	1.5
307.24289	2.1
308.24664	0.9
309.25864	1.3
311.20157	2.7
313.21823	1.2
319.24298	0.8
321.25717	2.2
322.26593	4.6
323.20200	1.4
323.27200	1.1
325.21497	1.3
327.23230	1.1
329.21039	5.3
333.22238	0.8
333.25998	0.9
337.21579	1.7
339.23312	1.8
347.23602	0.8
347.27307	1.0
351.23318	2.6
361.25266	1.0
365.24719	3.2
366.25500	0.8
375.26694	1.1
375.30872	0.9
378.25543	0.7
379.26285	2.0
385.25024	1.0
393.27975	2.1
403.25763	3.2
403.30511	2.0
421.31088	100.0
422.13626	0.8
422.31390	11.8
439.42459	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49386	1.2
53.03938	3.1
53.58376	1.2
55.05509	15.4
57.03424	1.2
57.07061	2.4
65.03953	1.3
67.05503	26.2
69.03424	2.1
69.07068	12.5
71.08651	1.3
73.66416	1.2
73.97263	1.1
77.03925	1.2
79.05492	13.2
81.07056	34.9
82.07368	1.2
83.04973	17.0
83.08627	6.6
87.31380	1.2
91.05471	22.6
91.06006	1.7
93.07043	34.4
95.04964	4.2
95.08604	67.3
96.08939	3.0
97.06535	3.2
97.10173	2.6
99.03837	1.1
99.04476	3.1
105.07030	36.0
107.08589	37.9
109.06516	3.8
109.10159	23.4
111.04438	8.1
111.08076	7.4
113.06011	3.0
115.05438	2.6
117.07007	9.7
119.08580	44.1
121.06517	2.5
121.10134	30.7
122.10522	1.3
123.08079	4.9
123.11696	10.8
125.05997	2.4
125.09676	1.3
127.85278	1.0
128.06219	4.0
129.07004	10.4
130.07788	4.4
130.25804	1.0
131.08565	31.7
131.09491	2.2
133.10120	36.5
134.10518	1.6
135.08130	1.5
135.11702	14.2
137.05989	3.6
137.09605	1.9
137.13290	4.1
139.07527	6.6
141.07001	4.8
141.09119	2.3
142.07765	5.6
143.08568	22.7
144.09352	3.9
145.10118	49.7
146.10580	1.3
147.08032	3.4
147.11685	20.3
149.09569	1.7
149.13217	5.7
153.07065	2.1
153.71584	1.4
154.07788	2.1
155.08553	17.8
156.09340	5.7
157.10117	30.7
158.10872	5.4
159.08031	2.2
159.11682	38.0
159.12991	2.3
160.12291	1.9
161.09644	5.6
161.13246	11.4
163.14835	4.9
166.07889	1.1
167.08591	3.5
168.09332	2.4
169.10106	19.3
170.10925	7.1
171.08051	1.3
171.11691	23.6
172.08823	2.1
172.12331	2.7
173.09679	3.1
173.13252	34.3
174.13622	2.1
175.11206	2.9
175.14806	17.1
177.16457	3.9
179.08586	2.2
179.10692	1.6
181.10104	6.6
182.10872	3.2
183.11700	19.0
184.12372	2.5
185.09688	1.9
185.13232	26.3
185.14764	1.9
186.13809	2.4
187.11235	4.7
187.14822	37.8
188.15218	4.3
189.12843	2.1
189.16370	15.9
194.10948	1.4
195.11670	9.4
196.12456	4.4
197.13229	20.6
198.13850	3.2
199.11156	2.0
199.14815	17.9
200.11792	1.4
200.15157	1.7
201.12782	3.5
201.16380	27.3
202.16850	1.3
203.17966	6.2
207.11755	3.9
209.13278	9.6
210.13969	3.3
211.14761	16.5
212.15482	3.4
213.12769	2.5
213.16341	10.5
214.16994	1.6
215.14325	3.0
215.17967	4.2
217.12399	1.5
219.13857	3.6
221.13287	2.5
223.11195	1.4
223.14780	8.0
224.15643	2.9
225.12881	1.5
225.16376	16.7
226.16995	3.4
227.14366	2.4
227.17899	12.3
229.19618	3.5
231.13855	4.5
233.15358	2.7
235.14842	3.3
235.16992	1.7
237.16376	6.7
238.17117	3.5
239.17926	11.9
240.18367	1.4
241.19492	6.6
243.21141	1.5
245.15329	3.1
249.16405	2.0
251.18022	5.4
252.18884	1.8
253.19443	11.2
255.21234	2.3
259.17029	1.4
263.17914	3.3
265.19537	4.5
266.20193	2.1
267.21124	6.6
271.16879	1.6
277.19562	1.5
279.17719	1.6
279.20993	6.0
280.21533	2.9
281.19440	2.3
281.22620	48.9
282.23123	5.1
283.16895	1.5
283.24133	6.0
291.20929	1.4
293.22778	4.0
299.20084	1.9
307.20749	1.6
307.24167	4.9
309.25955	2.5
321.25763	3.0
322.26474	9.4
323.27139	1.8
337.21906	1.7
339.23108	1.5
351.23148	2.0
365.24683	4.0
375.30795	2.4
379.26337	2.8
403.30176	2.4
421.31042	100.0
422.31406	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.7
53.03941	1.9
55.05511	16.1
55.88474	0.6
57.03444	1.0
57.07074	4.9
65.03936	1.4
67.05505	18.4
69.03423	1.2
69.07070	10.6
69.10065	3.9
69.10470	1.5
71.04990	1.3
71.08636	1.5
73.57051	0.5
79.05490	10.4
81.07056	25.6
82.07362	0.7
83.04983	27.8
83.08618	6.6
84.05326	0.6
85.06562	0.7
85.10161	0.9
85.16472	0.6
86.02829	0.5
86.88703	0.7
89.06046	0.8
91.05481	14.9
93.07050	25.9
94.07351	1.4
95.04969	6.3
95.08608	39.7
95.12010	0.7
96.08865	0.6
97.06534	2.4
97.10185	3.2
98.22971	3.1
99.04474	1.4
103.05456	0.6
105.04549	1.0
105.07030	21.1
107.04971	1.0
107.08594	23.1
108.08865	0.8
109.02919	0.7
109.06506	2.5
109.10153	21.4
110.10436	0.8
111.04446	14.9
111.08077	6.1
111.11690	1.1
113.06011	2.7
115.05469	0.8
117.07024	6.8
119.08580	26.8
121.06510	2.8
121.10149	16.8
123.08068	4.8
123.11697	9.5
125.06016	1.4
125.09653	1.1
127.07540	0.8
128.06229	3.5
129.07016	6.5
130.07797	2.3
131.08571	17.7
133.06474	1.1
133.10133	19.7
134.10646	0.7
135.08049	2.2
135.11700	12.5
137.09680	0.8
137.13264	6.4
139.07538	4.6
139.70876	0.6
141.06960	4.0
141.09117	1.9
142.07793	4.5
143.08557	13.4
143.64919	0.6
144.09306	1.9
145.06525	0.7
145.10124	27.3
146.10652	0.9
147.07997	3.0
147.11690	14.4
149.09610	1.1
149.13298	6.0
151.14795	1.6
153.06982	1.3
153.09067	0.8
154.07756	1.8
155.08551	9.9
156.09372	6.3
157.10130	25.1
158.10844	2.0
159.08025	1.8
159.11684	23.0
159.12991	1.3
160.12030	0.7
161.09599	2.7
161.13246	9.5
163.11145	1.3
163.14786	3.2
165.07031	1.8
165.09148	0.6
166.07825	1.1
167.08606	3.6
167.10632	0.8
168.09328	3.8
169.10133	16.5
170.10904	3.4
171.08076	0.7
171.11682	25.0
172.08859	1.0
172.12325	2.3
173.09642	3.0
173.13255	18.5
174.13646	1.7
175.11168	2.4
175.14842	6.7
177.16383	1.5
179.08636	1.7
180.09360	1.2
181.10124	7.8
182.10887	3.8
183.11688	22.1
184.12430	3.4
185.09653	1.8
185.13254	16.7
186.13986	1.9
187.11162	2.3
187.14806	10.7
188.15283	0.8
189.12712	1.7
189.16351	4.0
193.10162	3.3
193.12129	0.8
194.10883	2.1
195.11703	9.6
196.12476	5.4
197.13255	22.2
198.13889	3.2
199.11232	1.8
199.14809	12.9
200.15230	1.4
201.12799	1.8
201.16368	6.9
203.10616	0.6
203.18004	3.4
205.10197	1.4
205.12274	2.1
206.11012	0.8
207.11710	5.7
207.13652	1.4
208.12473	2.2
209.13258	14.4
210.13925	4.2
211.11331	1.2
211.14824	15.1
212.15515	1.8
213.12772	2.3
213.16360	7.2
215.17989	4.5
217.12254	1.3
217.19495	1.5
219.11725	1.8
219.13841	1.5
220.12415	1.1
221.13223	6.3
222.14021	1.8
223.11392	0.8
223.14789	12.5
223.16910	1.0
224.11777	0.7
224.15498	2.9
225.12892	1.2
225.16370	15.0
226.16919	2.1
227.14307	1.1
227.17943	8.7
228.18509	0.9
229.15845	1.5
229.19438	4.3
231.13852	2.0
233.13284	1.8
233.15446	1.3
235.11122	1.0
235.14850	4.2
236.15491	1.7
237.12851	1.0
237.16342	9.0
238.17130	2.4
239.14322	1.5
239.17946	10.5
240.18614	1.5
241.15898	0.9
241.19545	4.3
243.21048	1.4
245.15434	2.0
247.14740	1.8
247.16969	2.5
249.12666	1.0
249.16420	3.7
250.17206	1.0
251.14247	1.0
251.17938	11.2
252.18544	2.2
253.15892	1.1
253.19522	11.0
254.19954	1.1
255.21085	9.6
257.15436	1.5
259.17065	1.2
261.16397	1.3
263.14413	1.1
263.17978	2.1
264.18558	1.3
265.15948	1.8
265.19540	5.1
266.20258	2.2
267.17511	1.0
267.21075	5.8
269.15250	1.1
269.22656	1.5
271.16998	3.2
273.18552	2.0
275.17728	0.9
277.19577	2.0
279.17776	1.0
279.21063	8.1
280.21774	2.3
281.15607	1.2
281.19406	1.6
281.22629	33.8
282.23074	4.7
283.16943	2.4
283.24152	5.6
284.24622	0.8
285.18466	3.7
289.15768	0.7
291.21072	1.8
293.19174	1.2
293.22659	3.3
295.16956	1.5
295.20670	0.7
295.24075	3.1
297.18533	3.7
299.20078	2.3
305.19205	1.4
305.22476	1.5
307.24146	5.9
309.18384	1.5
309.25833	4.9
311.20093	3.0
311.27380	1.8
313.21460	1.2
319.20663	1.3
319.24268	2.8
321.18668	0.8
321.25665	5.3
322.19281	1.1
322.26511	11.6
323.20071	3.2
323.27155	4.1
325.21710	1.2
325.25211	0.7
327.23221	1.3
329.21365	2.2
333.22089	1.1
333.25873	0.8
337.21640	2.3
339.23285	1.7
347.23538	2.6
347.27429	2.6
351.23059	4.6
353.24548	1.3
361.25345	1.6
365.24783	10.0
366.25171	1.5
375.30521	5.7
376.30743	1.2
377.24496	0.9
378.25687	0.8
379.26294	3.7
385.21661	0.7
385.28641	0.8
393.27722	0.8
403.24915	1.2
403.29855	8.0
404.30246	1.4
421.30978	100.0
422.31363	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3313
Annotation	Irisoquin C
Peak:m/z	Relative Intensity
53.03946	1.2
55.01855	1.4
55.05513	18.9
57.03422	1.0
57.07080	9.4
61.11002	0.8
63.44023	0.7
63.62983	0.7
67.05508	26.1
68.99780	4.5
69.07070	24.9
69.48255	0.8
69.49400	1.4
69.49815	3.5
71.04990	1.3
71.08631	5.5
79.05499	4.6
79.30853	0.8
81.03419	2.5
81.06581	1.7
81.07057	30.0
82.07383	1.0
83.04993	1.8
83.08620	17.3
85.02941	0.9
85.06548	1.6
85.10178	2.6
87.00816	1.7
89.06037	1.3
91.05476	3.6
93.07052	8.3
95.04993	1.1
95.08611	34.7
97.06523	2.1
97.10175	12.2
98.22839	2.2
98.98433	1.4
105.07005	2.3
107.08599	5.6
109.06455	1.3
109.10151	13.8
111.00803	3.9
111.04454	2.1
111.08072	3.0
111.11737	5.4
117.07002	1.3
119.08572	3.4
121.10136	4.4
123.08105	1.2
123.11684	6.1
125.09613	1.4
125.13249	1.7
127.03869	1.8
131.08572	2.3
133.10097	2.6
135.08055	1.0
135.11690	3.6
137.13272	1.4
139.03888	4.2
139.07550	3.0
139.11140	0.8
143.08565	1.9
145.10130	2.8
147.11708	1.9
149.13242	2.1
151.11166	1.0
153.09122	1.1
153.12709	0.9
155.01001	1.0
155.08522	2.2
157.10130	1.9
159.11662	1.9
161.13310	1.5
165.12781	1.5
167.08566	1.0
169.10176	1.3
171.11617	1.7
173.13287	0.9
175.14835	1.1
179.08604	1.0
181.10135	1.5
181.12158	0.9
183.11673	1.1
185.13298	1.3
189.12834	0.9
189.16409	1.0
193.10194	1.3
199.14931	0.8
201.16389	1.1
221.13275	1.5
227.24620	0.9
244.28969	0.8
319.29858	2.2
377.17239	0.9
379.32037	0.9
391.18781	1.2
392.19797	1.1
403.35971	5.0
406.21362	1.6
421.24246	11.2
421.33099	100.0
422.24170	1.5
422.33420	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
55.01900	2.7
55.05507	25.1
56.82781	2.0
57.07066	15.0
65.03927	2.2
67.05170	4.2
67.05502	45.6
67.05839	3.9
69.03433	3.0
69.07069	40.6
71.08630	4.7
71.31107	3.8
71.60258	1.9
75.79370	1.9
76.40933	1.8
79.05496	38.2
81.07057	80.8
83.04989	16.8
83.08601	11.7
85.10170	4.3
89.05413	2.1
89.06048	7.8
91.05479	39.1
93.07040	61.4
95.04976	7.7
95.08608	91.7
97.06544	6.9
97.10169	8.3
103.05454	3.0
105.07029	85.1
107.05019	3.1
107.08591	73.0
109.06535	7.2
109.10149	61.7
111.04426	4.6
111.08097	7.5
113.06055	2.8
115.05491	4.1
117.07018	17.5
119.08579	86.3
121.06513	4.3
121.10140	60.3
123.08088	8.7
123.11718	20.2
125.09657	4.7
128.06232	5.6
129.07025	10.6
129.27388	1.9
130.07822	3.6
131.08572	49.1
133.08627	4.1
133.10130	68.5
134.10460	2.9
135.08102	4.6
135.11694	39.0
137.09637	6.3
137.13269	6.7
139.03922	2.6
139.07561	2.6
139.11214	3.5
141.06982	4.6
141.09065	2.6
142.07794	9.5
143.08562	28.7
144.09334	7.8
145.10126	68.1
147.11691	50.9
149.09644	9.7
149.13287	18.0
151.11172	6.6
151.14835	3.1
153.06981	2.7
154.07799	3.3
154.77490	2.0
155.08566	17.0
156.09348	8.5
157.10138	45.0
158.10887	4.9
159.11690	69.2
160.12097	5.6
161.09621	6.0
161.13257	25.2
163.11206	9.3
163.14879	7.5
167.08569	3.0
168.09375	6.0
169.10124	25.6
170.10878	4.2
171.11694	34.5
172.88345	2.0
173.13269	39.5
174.13750	2.4
175.11169	2.9
175.14824	27.2
177.12778	5.9
177.16394	7.7
179.10635	2.3
181.10144	7.2
182.10869	4.9
183.11711	37.0
184.12462	6.8
185.13289	30.9
186.13780	3.4
187.14824	29.1
189.12877	3.1
189.16379	22.3
191.14383	5.7
193.10205	3.6
195.11745	9.4
196.12282	4.6
197.13274	24.6
198.13835	3.1
199.14822	21.8
201.16402	30.2
202.17055	2.2
203.18010	7.2
207.11664	3.1
209.13242	11.5
210.13974	3.3
211.14838	20.1
212.15437	4.0
213.16354	17.7
214.16664	2.1
215.17952	18.5
217.19746	2.2
221.13414	3.5
223.14859	7.1
225.16360	27.3
227.17914	46.6
227.19980	3.7
228.18552	6.5
229.19548	15.0
237.16365	9.5
238.16884	3.5
239.17857	15.2
240.18437	2.7
241.19434	18.7
251.18021	5.4
253.19545	12.1
255.21124	6.9
257.22678	2.3
265.19397	4.9
267.21085	10.7
279.21024	5.9
280.21841	3.9
281.22644	48.9
282.23166	5.8
283.24069	10.0
311.50519	2.3
321.25732	2.6
322.26678	4.6
356.02344	2.1
365.24451	3.0
365.28387	6.6
403.33362	4.7
421.30853	100.0
421.34912	77.4
422.31171	15.7
422.35266	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.7
53.03933	5.3
55.05272	2.2
55.05513	29.6
57.07065	7.8
65.03941	3.7
67.05507	43.0
69.03440	3.5
69.07066	31.5
71.04987	3.4
71.08641	3.5
79.05056	3.3
79.05492	41.0
79.05933	1.2
81.07056	82.0
82.07380	1.8
83.04988	18.1
83.08617	17.0
85.06528	3.1
91.05479	45.5
93.07046	76.9
93.41467	1.5
94.07325	1.9
95.04972	6.4
95.08605	82.3
96.08916	2.7
97.06531	4.0
97.10166	5.5
99.08051	2.2
103.05476	2.2
105.04514	2.7
105.07034	88.4
106.07339	4.6
107.04975	1.7
107.08595	78.1
108.08912	2.2
109.06492	6.0
109.10157	57.8
110.10488	2.3
111.08077	5.1
111.11747	2.5
115.05442	2.2
116.06277	1.7
117.07000	19.7
119.06052	2.0
119.08583	93.4
120.08897	3.4
121.06532	2.9
121.10145	60.4
121.11018	3.3
123.08083	11.7
123.11710	19.9
125.09626	5.8
128.06226	4.0
129.07018	8.9
130.07773	5.2
131.08562	43.9
131.10120	1.9
133.10132	74.3
134.10532	2.2
135.08104	8.2
135.11697	39.2
137.09586	4.1
137.13235	6.5
139.07539	1.7
139.11160	3.5
141.06937	2.9
142.07802	5.7
143.08566	18.7
144.09332	7.4
145.10127	69.4
146.10497	2.8
147.08078	3.1
147.11682	55.0
148.12000	3.0
149.09619	8.7
149.13248	21.4
151.11200	5.0
155.00949	2.1
155.08571	8.0
156.09286	5.6
157.10139	32.1
158.10870	4.5
159.11699	65.7
160.12196	3.3
161.09602	3.3
161.13266	26.9
163.11227	7.8
163.14790	9.2
165.12692	2.3
165.29584	1.7
167.08423	2.2
169.10143	9.9
170.10927	3.0
171.11703	20.0
171.58925	1.9
172.12332	3.6
173.13268	39.6
175.11252	3.8
175.14822	23.8
176.15102	2.4
177.12740	6.1
177.16418	3.8
181.10136	5.0
182.10793	2.4
183.11681	12.4
185.13272	23.1
186.13779	3.7
187.11320	2.1
187.14807	26.3
188.15262	2.4
189.16383	27.5
191.14311	5.9
193.15823	5.5
195.11705	6.1
196.12419	3.1
197.13246	9.3
199.14822	16.6
201.16403	21.5
202.16939	2.2
203.17940	4.9
209.13231	4.8
210.13814	2.1
211.14754	9.2
213.12640	2.0
213.16374	17.4
215.18024	18.4
217.15900	3.3
217.19611	2.0
221.13216	3.1
223.14818	6.5
225.16429	8.1
227.17899	15.1
229.19495	13.3
231.17464	1.8
237.16306	2.7
239.17932	6.7
241.19612	3.9
243.21135	2.0
251.17848	3.1
253.19543	4.4
255.21068	4.6
265.19662	2.9
267.21118	4.7
269.22589	3.7
271.20615	2.4
281.22699	11.1
283.24234	9.4
295.24136	2.1
309.25793	2.3
321.25894	1.8
323.23712	2.0
365.28333	6.6
379.29919	2.6
403.33994	3.9
421.35052	100.0
422.35391	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3675
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
52.48289	0.9
53.03952	1.4
55.01868	2.0
55.05514	12.3
56.36936	1.0
57.03439	1.0
57.07077	6.5
59.67581	0.9
63.46983	0.7
64.21533	0.8
67.05504	12.4
69.07067	18.3
70.55756	2.4
71.08632	3.9
79.05473	1.3
81.07043	2.6
83.08625	9.8
85.10182	2.4
91.05470	7.7
93.07042	40.8
94.07403	1.2
94.94527	0.8
95.04966	1.9
95.08604	25.2
97.06506	1.1
97.10174	5.0
100.93973	0.9
105.07034	2.1
107.08588	5.0
109.10156	2.6
111.08076	20.7
111.11703	2.4
119.08587	1.8
121.06509	2.0
121.10164	1.3
123.08045	2.6
123.11698	1.7
125.09648	1.6
127.07507	3.9
133.10132	1.8
135.08029	1.7
135.11757	0.9
137.09593	1.6
139.07536	30.9
140.07896	0.8
145.10013	1.1
149.09625	1.2
149.13301	0.9
151.11145	3.0
153.09114	15.5
157.08603	1.9
165.09094	0.9
167.10660	9.5
181.12219	6.1
189.12674	0.8
193.12259	1.8
195.13808	6.1
207.13786	4.6
208.49168	0.9
209.15422	2.9
221.15431	2.1
223.16991	1.5
223.79440	0.8
237.18640	1.0
251.20015	2.4
252.44089	0.9
265.21667	2.6
277.21579	2.6
279.23337	1.0
287.93503	0.9
291.23309	1.5
293.24759	1.1
297.74954	0.9
305.24756	1.5
307.26459	1.1
321.28079	1.2
335.29541	1.3
347.29443	1.0
403.35690	100.0
404.36038	9.1
421.36792	21.5
422.37256	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3677
Annotation	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane
Peak:m/z	Relative Intensity
52.44891	10.4
54.03734	8.8
55.05518	28.9
57.07080	37.1
67.05512	16.0
69.07070	51.3
71.08640	22.7
71.31865	13.7
71.32233	13.5
74.90270	12.6
81.07072	23.7
83.04987	41.5
83.08618	35.5
85.10197	17.9
91.05476	14.4
93.07069	20.8
95.08602	41.5
97.10166	15.0
105.07050	12.5
107.08594	16.2
109.10203	28.3
109.94202	10.3
119.08637	11.5
121.10157	15.3
133.08611	22.3
133.10158	20.8
135.08044	14.0
136.18347	10.2
137.06015	26.2
145.41141	10.7
147.11717	14.4
161.09671	36.6
175.11215	16.7
198.65167	10.6
344.16476	11.8
370.61200	11.8
375.36105	41.3
385.34528	21.1
403.35596	82.0
404.36014	12.2
421.36731	100.0
422.36896	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21814	4.4
52.09554	4.2
52.24261	3.8
53.03944	5.4
55.05513	50.9
57.03436	5.9
57.07080	38.5
67.05502	30.9
69.07072	56.8
71.08613	27.9
71.29931	7.6
79.05486	11.3
79.78946	3.9
81.07059	39.9
82.63160	4.2
83.04977	58.1
83.08627	29.1
85.10185	12.6
91.05486	9.4
92.11376	4.8
93.07034	17.8
94.50700	4.4
95.08604	53.0
97.10168	21.0
99.46786	5.1
105.07014	17.6
107.08595	25.0
109.06523	13.2
109.10155	20.3
111.08099	10.8
111.11703	12.4
117.07058	5.5
119.08625	24.6
119.09346	4.1
121.10147	19.2
123.08048	14.3
123.11703	12.0
131.08533	9.8
133.08614	5.2
133.10158	14.2
135.08046	14.3
135.11719	7.3
136.54079	4.6
137.05974	30.4
137.09605	9.2
139.07535	13.6
145.10182	5.1
147.11726	8.3
149.13242	6.4
151.07573	7.9
151.11166	6.5
155.07053	6.7
159.11655	8.4
161.09634	33.6
161.13268	13.2
165.09192	5.5
171.11668	4.8
173.13135	7.0
175.11235	19.0
175.14766	6.2
177.12695	4.6
179.14119	5.4
183.11623	4.6
185.13327	4.8
187.14888	5.9
189.12630	27.3
189.16365	5.7
207.13828	11.1
289.50671	4.4
301.28485	6.1
347.29041	4.7
375.36252	58.8
376.36526	6.4
385.34814	21.9
403.35764	88.4
404.35855	6.0
421.36783	100.0
422.37048	11.3
435.94128	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3674
Annotation	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane
Peak:m/z	Relative Intensity
55.05515	58.8
57.03434	7.8
57.07078	45.7
62.23102	4.5
64.61190	4.3
67.05511	27.9
68.17288	5.0
69.03417	5.6
69.07063	67.9
69.16026	33.3
71.08636	34.4
79.05489	21.6
81.07057	61.9
83.04987	69.3
83.08627	46.8
85.10176	19.5
89.06025	6.4
91.05474	9.9
93.07038	23.4
95.08597	56.5
97.10178	29.3
100.70564	4.5
105.07037	17.3
105.19640	4.5
107.08586	30.6
109.06503	13.3
109.10156	25.5
111.08080	14.4
111.11713	9.0
119.08585	31.0
121.06464	6.3
121.10159	15.8
123.08087	23.7
123.11709	15.9
125.13306	6.1
133.08595	5.6
133.10127	18.9
135.08032	14.6
135.11714	10.6
137.05949	53.4
137.09636	7.3
137.13187	4.7
138.35475	4.8
139.07538	23.3
145.10147	6.8
147.11710	11.9
149.13217	11.6
151.07607	10.0
151.11188	9.1
155.07050	11.7
157.10048	7.5
159.11684	7.0
161.09636	36.9
161.13309	12.7
165.09106	8.3
165.12822	8.3
169.09651	4.8
171.11710	6.4
175.11163	18.4
175.14839	5.7
177.12772	7.2
181.12311	6.4
183.11713	4.9
187.14922	4.7
189.12724	17.2
193.12245	7.5
207.13684	4.7
217.19475	8.3
222.81293	4.5
356.90451	5.0
375.36157	52.1
385.34534	27.8
403.35736	99.5
404.35822	10.5
421.32077	7.4
421.36877	100.0
422.36691	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	11.7
61.02921	1.8
65.03934	16.7
70.41518	4.6
75.04480	6.0
85.02895	10.8
93.03393	26.9
97.02902	2.5
110.03680	3.9
111.04432	26.4
121.06580	1.8
122.34688	1.7
123.04459	3.0
125.05980	35.3
125.06841	3.2
151.03891	24.0
154.02603	11.7
163.07509	5.0
169.04955	100.0
170.05319	4.7
225.07542	9.0
243.08630	57.7
244.09001	3.0
245.04460	2.6
267.62839	1.7
322.97263	1.9
382.20667	2.4
423.07104	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01880	1.7
55.05523	1.4
57.03448	2.7
67.05490	9.6
69.03438	3.8
69.07082	1.8
69.18629	9.9
71.04971	2.1
74.90872	1.1
79.05510	3.6
81.03398	4.1
81.07057	12.0
83.04973	2.0
83.72205	1.4
84.73723	1.1
85.02897	7.1
91.05500	2.8
93.07027	6.3
95.04947	3.3
95.08595	4.3
97.02914	2.9
97.06535	1.7
98.98466	2.8
99.04449	2.6
102.41402	1.3
105.07034	6.2
107.08565	6.1
109.02857	1.3
109.06513	7.1
109.10152	22.7
111.04456	1.9
119.08548	7.0
120.08170	1.3
121.06499	3.2
121.10168	2.1
123.08089	2.8
123.11731	3.0
125.06003	2.1
127.03904	1.5
133.10127	4.6
135.08087	1.3
135.11705	1.7
137.05962	5.2
137.09616	58.2
138.09979	2.0
139.11151	2.1
145.04947	1.4
147.08029	1.8
151.07491	1.5
151.11200	4.5
151.43167	1.4
155.01015	1.8
155.10733	4.3
161.09660	7.3
163.11201	5.4
165.09106	48.0
179.10667	43.2
180.11052	2.0
181.12224	3.7
183.10168	3.5
189.09186	2.9
199.13242	1.4
201.11226	5.6
207.10158	35.2
207.13513	2.1
208.10646	1.6
225.11212	100.0
226.11598	5.0
243.12354	5.5
423.85703	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.5
53.39414	2.9
55.05515	19.2
59.05003	3.5
62.12097	3.1
64.22646	3.2
67.05509	32.8
68.05839	4.4
69.03443	4.5
69.07082	26.4
69.07513	13.1
77.91121	3.2
79.05491	9.3
81.07066	19.2
83.04984	51.0
83.08648	5.8
91.05488	12.1
93.07022	16.6
95.04966	3.4
95.08605	19.1
105.07046	16.5
106.07333	3.8
107.08606	9.1
109.10179	11.5
109.26664	4.1
111.04448	12.0
111.08072	5.9
112.04756	3.1
116.36955	3.0
117.07006	7.5
119.08617	15.8
120.08978	3.3
121.06504	8.2
121.10121	6.2
123.08020	4.9
129.07010	6.2
131.08574	9.6
133.06583	4.2
133.10164	10.1
142.07828	3.4
143.08577	9.0
145.06506	5.9
145.10127	5.0
147.11713	3.5
149.09689	4.3
155.08543	22.7
156.09001	11.7
157.10124	11.3
159.08095	4.5
159.11700	6.8
161.09648	5.3
167.08501	4.7
169.10120	14.9
170.10489	6.7
171.08058	5.1
171.11674	7.5
173.11716	4.5
179.08568	8.4
181.10072	10.5
182.10576	4.6
183.11794	5.1
185.13239	5.0
193.10068	8.2
194.10707	6.9
195.11604	3.8
199.11055	5.5
206.10680	6.0
207.11551	6.4
208.12195	9.3
209.09511	6.9
209.13281	8.4
212.11493	3.8
215.10652	4.6
220.12234	5.2
221.13295	8.9
222.13644	9.2
223.11215	4.2
227.10703	9.4
228.11023	10.8
235.14784	3.8
238.13301	4.4
248.15294	5.2
250.13245	3.8
266.16208	5.3
267.13824	3.7
282.15903	6.3
288.79868	3.5
299.06467	3.9
308.17285	5.9
323.19818	6.8
387.17776	3.6
394.22797	4.1
404.23138	9.1
405.24347	12.5
422.24017	100.0
423.24936	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01862	1.3
55.05508	3.4
57.07080	0.8
59.03790	0.8
63.96712	0.7
67.05503	8.9
68.05828	1.3
69.03442	1.1
69.07079	1.6
71.04994	1.1
79.05497	4.7
80.05831	0.9
81.03443	0.7
81.07053	6.4
82.07359	1.1
83.04964	3.6
83.08633	1.7
85.06539	1.9
91.05486	6.8
92.05863	0.9
93.07039	6.6
94.07391	1.7
95.04967	3.9
95.08593	6.5
95.81252	0.7
96.05313	0.8
96.08929	1.3
97.02905	0.7
102.70615	0.9
103.05441	0.8
105.07022	5.3
106.07369	1.0
107.04936	1.6
107.08590	4.2
109.06535	1.2
109.10156	5.4
111.04426	1.9
111.08048	1.6
115.05455	0.7
117.07017	1.7
119.08592	4.3
121.06487	2.8
121.10124	1.7
121.61105	0.7
122.06856	1.2
123.08097	2.1
123.11686	0.9
125.09623	1.3
129.06985	1.2
131.08559	2.6
132.08879	0.8
133.06487	1.2
133.10132	2.2
135.04344	1.0
135.08083	1.7
137.05957	2.2
141.06970	1.0
143.08548	3.1
144.09177	0.8
145.06560	1.0
145.10161	2.3
147.04384	0.9
147.08064	2.0
147.11647	1.5
149.09576	1.3
149.13281	1.1
155.08536	5.0
156.08858	3.6
157.06490	1.0
157.10138	3.0
158.07321	0.9
159.08046	1.5
159.11685	2.6
160.12057	0.8
161.05875	0.8
161.09572	1.8
163.07561	0.9
165.07028	1.4
169.10100	2.0
170.10480	1.0
170.91724	0.7
171.08069	1.5
171.11726	1.3
173.09631	1.6
173.13173	1.1
175.03940	3.9
175.07634	1.1
175.11237	1.0
176.04639	1.7
177.05519	0.9
179.08556	1.0
180.08954	1.2
181.08621	1.0
181.10117	2.1
182.10545	1.6
183.11664	1.9
185.09586	1.4
187.11261	1.2
189.09125	1.0
193.10120	0.9
194.10577	1.1
195.08034	0.9
195.11678	2.2
197.09482	1.0
199.11171	1.3
204.04314	0.9
206.10722	0.8
207.11636	2.3
208.12175	1.4
209.09642	1.6
210.08560	1.4
211.11244	1.6
213.09097	0.9
215.07072	1.3
215.10703	1.0
217.08536	2.1
219.06516	54.3
220.06966	2.7
220.12340	1.0
221.13185	2.4
222.13652	1.6
223.11201	1.2
225.12738	1.5
227.10640	2.6
228.11121	2.1
229.08611	2.1
231.06493	12.1
233.13377	0.8
234.08858	3.5
235.11485	0.9
237.16391	0.9
246.08858	27.0
247.09509	2.7
247.14828	1.0
251.14101	1.1
255.10124	1.1
257.07971	4.2
257.15350	1.3
261.11188	16.3
264.14648	1.2
265.15970	0.9
267.09995	1.3
267.13870	1.2
281.11804	0.9
281.15186	0.9
282.15881	1.2
285.14902	1.2
287.17938	0.8
299.12726	1.3
311.19806	0.9
313.14233	3.1
330.21350	3.7
341.10086	0.8
341.13757	4.9
345.16934	29.2
346.17441	2.4
355.15137	0.9
373.16440	100.0
374.16757	10.4
404.24625	2.6
405.19446	1.7
405.20261	1.1
405.24222	4.9
422.23944	21.1
423.23102	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	10.0
55.52236	6.4
57.03468	9.3
57.07094	7.6
67.05518	8.9
69.03421	14.3
71.05003	20.4
71.29709	10.7
73.89733	6.7
79.05499	8.7
81.07062	16.0
83.04966	10.9
85.02914	35.4
91.05474	11.0
93.07050	6.7
95.04971	21.5
95.08609	14.3
97.02927	9.9
97.06548	10.3
98.09061	9.2
99.04456	59.4
104.67957	6.1
105.07041	10.8
107.08588	26.2
109.06519	25.1
109.10149	13.5
113.05962	7.1
119.08600	21.5
121.10160	24.5
123.08083	29.3
123.11745	12.6
125.09636	9.4
127.07520	9.0
127.11143	8.3
137.09619	11.8
147.04427	13.8
147.11722	16.0
149.07414	17.0
149.09630	24.7
151.07565	9.8
161.13315	16.5
165.12782	7.4
167.10718	11.3
167.14142	6.0
177.05409	8.6
179.14302	11.3
181.12236	12.6
183.13818	13.5
189.12712	11.1
207.13828	50.8
225.07323	7.0
225.11417	8.4
225.14896	100.0
243.12190	7.4
243.15205	6.9
260.09225	8.4
293.11649	20.4
303.05322	7.2
355.09064	7.7
405.12753	20.5
405.17346	9.8
423.13855	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.7
57.07075	3.6
59.04992	3.7
67.05500	11.9
69.03432	8.6
69.07074	7.9
70.90161	4.1
71.04974	2.7
79.05490	4.6
81.07047	16.9
83.04968	8.3
85.02902	18.9
91.05513	6.4
93.07027	7.8
93.88039	2.5
95.04974	8.0
95.08607	24.8
97.02893	4.6
97.06516	4.4
97.66486	2.4
99.04451	4.4
99.08098	2.9
105.07018	13.5
107.04952	3.9
107.08609	12.0
109.06497	16.2
109.10152	17.5
111.08079	36.7
115.07578	2.8
119.08578	14.8
121.10165	10.5
123.08060	25.2
123.11713	6.7
125.06020	4.2
125.09653	8.3
127.03871	3.9
133.10124	5.5
135.08046	4.1
135.11748	5.5
137.09601	8.6
137.13258	9.1
141.09113	11.5
145.04970	3.0
147.11705	17.3
149.09605	9.0
151.07542	100.0
151.11145	4.7
152.07857	6.9
153.09061	17.5
161.09671	3.5
161.13239	12.0
163.11182	8.1
165.09090	4.2
165.12758	27.0
167.10641	5.7
171.10197	8.0
179.10655	5.7
179.14317	5.7
181.08652	7.7
189.09081	3.5
189.12840	23.0
197.11826	3.2
207.10336	3.7
207.13802	70.6
225.11243	11.4
225.14848	82.6
243.12473	3.2
397.45404	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	14.6
62.38034	5.8
67.05503	7.0
67.52638	4.9
69.07061	4.9
69.09289	39.9
78.04726	4.7
81.07060	7.5
83.04980	19.5
89.09364	4.5
91.05481	6.3
93.07014	6.7
93.38122	4.8
98.23387	11.6
107.04961	7.9
108.65049	4.5
109.10154	4.7
123.04406	10.5
126.19711	4.7
135.08014	6.5
136.12006	4.4
137.06042	5.8
145.10095	5.5
148.05162	8.1
163.07533	18.0
166.06261	18.9
167.07034	100.0
168.07498	6.6
177.12628	6.1
181.08617	54.9
205.12209	29.1
237.14795	32.3
251.16423	15.9
252.32504	4.3
279.93982	4.7
300.28418	4.7
400.24686	5.2
405.22754	70.1
406.23215	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34395	3.2
67.05492	4.9
67.75089	3.8
69.03448	3.6
69.07056	10.0
70.06586	3.9
71.29137	5.0
79.94157	3.3
85.02898	8.5
91.05471	17.1
95.04961	4.9
97.02898	5.6
98.97585	7.6
101.00929	3.9
101.04229	14.1
119.04948	27.2
120.05233	4.9
121.01661	5.8
121.06500	3.9
123.04433	6.5
127.03926	5.0
138.05470	3.2
147.03445	3.6
147.04399	100.0
148.04730	10.8
149.05025	4.0
155.01730	3.7
156.07513	4.8
156.97548	4.5
167.07117	4.6
172.04266	39.3
175.07713	4.0
177.05475	7.3
185.02959	3.6
187.04213	3.7
198.98497	8.6
200.08516	5.8
203.47832	3.5
209.08052	5.8
210.98566	3.5
214.05345	4.5
244.06381	6.8
261.08920	6.6
277.05975	11.7
279.00668	3.2
279.07629	3.4
301.01025	3.9
363.15057	4.5
377.13837	4.5
423.12238	96.6
424.12964	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46261	1.7
69.03444	2.7
69.73219	7.7
70.08081	1.6
91.05481	9.4
103.77193	1.8
110.32066	1.9
117.18768	2.2
119.04906	17.4
123.04402	2.5
137.01877	1.6
147.04401	80.4
165.05502	2.2
167.07008	4.8
195.45885	1.9
197.05994	2.1
217.05013	3.6
236.21135	1.6
243.06465	11.2
259.06064	8.3
271.05988	100.0
272.06375	7.5
291.08569	1.9
395.07660	2.5
423.10922	17.0
423.20474	2.3
424.11081	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55999	1.3
64.82163	1.2
65.03926	2.4
69.06750	2.5
69.07155	10.7
71.14193	1.2
91.05504	15.2
110.43094	1.3
115.03963	2.3
119.04935	29.8
134.43088	1.4
146.77809	1.3
147.04405	100.0
148.04761	4.0
165.05499	1.9
217.04971	2.0
235.02486	1.4
271.05975	19.1
272.06247	1.3
423.10797	2.2
423.15750	3.1
444.10419	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.9
59.70702	0.8
67.05513	1.2
69.13412	1.8
69.13817	4.7
81.07056	1.6
91.05465	0.9
93.07052	1.1
95.08601	1.4
105.07053	1.2
107.08574	1.2
107.34453	0.7
109.10170	1.3
111.08054	0.8
123.08060	2.0
133.10165	1.1
145.10117	0.9
163.72969	0.7
179.14380	2.1
271.05984	1.0
274.20398	0.6
280.36444	0.8
281.06277	0.8
331.26352	1.5
332.06116	0.8
377.13638	1.5
423.17877	100.0
423.30475	2.8
424.18198	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.05516	12.7
57.03440	3.1
67.05179	3.5
67.05513	42.1
69.03442	3.8
69.07060	6.6
71.04978	2.1
71.30700	2.5
75.85641	1.8
79.05498	15.6
81.07060	25.3
83.04985	17.2
83.08617	3.0
85.06547	2.5
91.05492	16.6
93.06543	3.1
93.07056	31.4
93.38127	1.7
95.04974	5.9
95.08612	30.2
97.06557	4.8
99.04461	2.3
103.44971	1.9
105.07029	20.2
107.04932	2.1
107.08587	20.8
109.06546	4.6
109.10158	20.8
111.04449	8.2
111.08089	8.7
115.05492	2.6
117.07046	9.1
119.08592	16.6
121.06500	6.7
121.10164	8.8
123.08077	6.8
128.06212	7.3
129.07011	10.0
130.07762	2.5
131.04964	3.4
131.08572	14.8
133.06546	2.0
133.10126	13.2
135.08057	4.4
135.11694	4.5
137.05968	2.4
137.09647	2.0
139.07541	4.3
141.06982	4.4
141.09151	2.6
142.07742	5.3
143.08566	18.8
144.09271	3.6
145.06473	4.2
145.10121	18.3
147.08063	7.5
147.11705	4.8
149.09480	2.3
149.13252	4.8
152.06194	2.4
153.06964	4.7
154.07759	2.8
155.08553	17.7
156.09303	6.2
157.10141	19.4
159.08073	7.2
159.11694	7.5
161.09627	8.3
165.06969	11.5
166.07751	4.8
167.08516	11.2
168.09300	3.4
169.10156	18.5
170.10757	2.5
171.08072	8.0
171.11717	9.1
173.09610	7.7
173.11789	4.3
173.13231	3.3
175.11270	3.1
175.14754	2.0
178.07739	9.8
179.08565	17.7
180.09357	13.4
181.06461	3.7
181.10150	22.5
182.07286	4.9
182.10814	5.3
183.08099	6.3
183.11707	17.1
185.09631	7.4
185.13309	5.2
187.11206	5.6
187.14769	3.3
189.09230	2.2
191.08618	6.5
192.09329	8.2
193.10118	31.6
194.10893	11.3
195.08037	10.4
195.11729	33.4
196.08794	6.0
196.12343	5.0
197.09677	12.3
197.13260	10.8
199.07547	2.0
199.11200	6.8
199.14772	2.4
201.09138	2.3
203.08598	3.4
203.10539	2.4
204.09334	4.7
205.10159	11.2
206.10858	7.5
207.08063	4.8
207.11653	16.3
208.08969	2.9
208.12361	6.0
209.09795	9.4
209.13306	20.2
210.10365	3.9
210.13860	4.7
211.11133	6.8
211.14832	8.9
213.09193	3.1
213.12825	4.3
215.08737	2.5
217.10141	7.6
218.10928	5.1
219.08154	3.4
219.11714	17.9
220.08728	3.0
220.12401	5.9
221.09665	11.6
221.13191	19.4
222.10387	5.4
222.13896	6.0
223.11261	12.9
223.14809	12.1
224.08313	4.5
224.11830	4.7
225.09164	7.5
225.12767	5.7
227.10661	4.5
229.10098	3.5
229.12112	2.4
230.10927	4.4
231.11685	4.4
232.12367	4.8
233.09627	5.9
233.13216	6.8
234.10287	2.9
234.14063	5.5
235.11153	5.6
235.14806	11.3
236.15414	2.8
237.12708	15.5
237.16438	3.1
238.16841	2.0
239.10669	10.5
239.14351	4.4
239.17976	2.9
241.12270	2.6
243.11836	2.4
244.12434	3.1
245.13237	6.8
246.10483	2.4
246.14104	2.5
247.11230	6.9
247.14816	6.7
248.12061	3.1
248.15408	2.2
249.12759	9.2
249.16490	5.4
250.17097	2.8
251.10667	4.8
251.14314	2.2
255.14098	2.4
259.10938	2.4
259.14859	6.9
260.15500	3.5
261.12708	3.5
261.16449	6.1
263.10645	5.9
263.14337	8.6
264.14908	3.7
265.12204	8.5
265.15768	5.0
266.12848	2.0
267.13818	4.3
271.14963	2.6
273.12698	3.7
273.16205	2.6
275.14297	3.0
277.15799	3.0
278.16638	3.5
283.17145	2.6
285.12854	2.3
287.14197	4.3
291.13864	5.5
297.16583	1.9
298.17053	2.6
299.14355	3.1
301.15887	4.5
302.16516	2.7
305.15396	3.3
308.15488	2.7
311.14108	2.7
315.17386	3.1
317.18976	2.3
325.15793	3.5
326.16614	3.0
327.17697	2.4
331.20480	3.4
333.18515	6.4
335.20105	4.5
341.18979	4.8
343.16983	5.8
345.18396	4.0
349.21698	10.0
351.17416	2.5
351.23260	3.7
359.20035	15.3
361.17987	10.7
361.49573	2.2
363.19489	6.2
369.18359	18.0
377.21115	53.0
378.21487	6.7
379.22653	6.1
381.20721	4.8
387.19446	43.8
387.23755	4.0
388.19574	5.7
395.23337	2.2
405.20532	100.0
406.20944	11.7
423.23395	27.5
424.24197	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67101	13.3
69.10780	100.0
69.11186	33.6
70.06594	18.8
79.38876	13.2
81.07078	30.9
83.15498	17.9
85.02912	15.7
88.04090	14.7
95.04971	39.3
95.08609	34.6
97.02851	19.9
97.06539	14.1
99.04443	23.5
104.46887	13.5
105.07019	24.3
109.10151	15.6
111.63572	14.7
119.08585	34.5
121.10149	72.1
123.08102	22.7
123.11753	19.7
135.74565	14.6
137.09634	18.2
147.04434	15.8
147.11678	21.6
149.09630	23.5
153.09210	17.4
163.11172	14.8
175.07523	26.9
180.68449	13.9
189.12813	24.0
207.13840	42.8
209.15422	36.7
225.14877	58.0
261.12335	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67101	13.3
69.10780	100.0
69.11186	33.6
70.06594	18.8
79.38876	13.2
81.07078	30.9
83.15498	17.9
85.02912	15.7
88.04090	14.7
95.04971	39.3
95.08609	34.6
97.02851	19.9
97.06539	14.1
99.04443	23.5
104.46887	13.5
105.07019	24.3
109.10151	15.6
111.63572	14.7
119.08585	34.5
121.10149	72.1
123.08102	22.7
123.11753	19.7
135.74565	14.6
137.09634	18.2
147.04434	15.8
147.11678	21.6
149.09630	23.5
153.09210	17.4
163.11172	14.8
175.07523	26.9
180.68449	13.9
189.12813	24.0
207.13840	42.8
209.15422	36.7
225.14877	58.0
261.12335	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01612	0.3
50.63489	0.3
53.03942	0.9
55.01871	1.3
55.05513	2.3
65.03934	0.3
67.05497	3.4
69.03428	2.4
69.07058	0.7
75.54223	0.2
79.05481	2.4
81.07055	2.3
83.04984	4.1
83.08633	0.3
91.05479	5.7
93.07044	4.7
95.04954	1.8
95.08595	3.6
97.06548	1.3
103.05489	0.6
105.04520	0.3
105.07028	5.0
107.05025	0.3
107.08595	2.2
109.06531	1.3
109.10172	0.7
111.04465	1.3
111.08086	1.0
115.05476	1.2
116.06258	0.4
117.07025	1.8
119.08583	4.7
121.06510	3.4
121.10178	0.8
123.08081	1.7
128.06219	3.1
129.07008	2.5
130.07805	0.6
131.04924	0.4
131.08565	3.3
133.06526	1.0
133.10129	1.9
135.08035	3.5
139.07442	0.3
141.07005	3.0
141.65018	0.3
142.07794	2.2
143.08568	4.6
144.05591	0.4
145.06511	1.8
145.10132	2.9
147.08034	2.1
147.11757	0.7
149.09624	0.8
152.06184	0.9
153.07030	2.4
154.07800	3.0
155.08539	5.3
156.09346	1.5
157.06522	0.7
157.10139	4.3
158.07303	0.9
159.08054	4.6
159.11661	1.7
160.08803	0.4
161.09607	2.4
165.06982	3.3
166.07712	1.3
167.08575	3.7
168.09283	1.4
169.06496	0.7
169.10124	6.4
170.10587	0.6
171.08049	1.4
171.11742	1.6
172.08794	0.5
173.09627	3.8
174.10257	0.4
175.11203	1.5
178.07747	2.2
179.08549	5.5
180.09329	1.4
181.06503	1.0
181.10126	3.5
182.07289	1.4
182.10892	1.3
183.08096	1.8
183.11678	3.2
184.08723	0.5
185.09602	2.0
185.13222	0.4
187.11168	2.5
189.07016	0.6
189.09256	0.3
189.12825	0.5
190.07813	0.9
191.08549	1.7
192.09357	2.7
193.10100	4.2
194.07236	0.5
194.10846	1.5
195.08009	2.1
195.11653	2.8
196.08853	0.9
196.12283	0.7
197.09615	8.7
197.13228	1.6
198.10121	1.0
199.11165	1.7
201.12761	0.5
202.07846	1.1
203.08604	1.9
203.10429	0.3
204.09265	1.6
205.10104	2.4
206.10872	2.2
207.08141	0.8
207.11667	4.9
208.08844	0.8
208.12350	0.9
209.09642	2.9
209.13239	2.2
210.10324	0.9
211.11171	3.5
211.14787	0.8
212.11768	0.3
213.12730	1.1
215.08577	1.7
215.10500	0.4
216.09317	2.0
217.10092	4.3
218.10884	2.2
219.08186	0.6
219.11703	4.3
220.08807	0.7
220.12350	1.4
221.09734	1.6
221.13255	2.8
222.10435	0.6
222.13997	0.5
223.11195	2.6
223.14804	0.5
224.11856	0.7
225.12688	3.1
226.13365	0.5
227.08530	1.0
227.14333	0.8
228.09363	0.9
229.10103	4.1
230.10870	2.7
231.07979	0.5
231.11674	4.9
232.08797	0.8
232.12480	1.4
233.09656	2.4
233.13187	2.2
234.10445	0.9
234.14041	0.9
235.11195	3.0
235.14748	0.7
236.11887	0.8
237.12727	2.5
239.08598	2.0
239.14316	2.5
240.09294	1.0
240.14635	0.4
241.10091	2.4
242.10849	2.7
243.11656	4.3
244.08904	0.4
244.12466	3.3
245.09659	1.4
245.13258	3.5
246.10390	1.3
246.14020	1.2
247.11150	3.9
247.14980	1.5
248.11894	1.3
248.15578	0.4
249.12704	3.9
249.16414	0.6
250.13239	0.5
251.14380	1.0
252.09286	1.0
253.10086	4.0
253.12407	0.3
254.10870	4.0
255.11644	5.3
256.08673	0.3
256.09796	0.4
256.12454	3.6
257.09702	1.0
257.13245	4.8
258.10403	0.6
258.14041	2.4
259.11166	2.3
259.14786	3.1
260.11908	1.1
260.15283	0.4
261.12717	2.6
261.16397	0.5
262.13480	0.9
263.14294	3.0
264.15100	0.5
265.09946	1.4
265.15842	0.8
266.10666	1.8
267.11655	5.6
267.14249	0.6
268.12399	5.0
269.09732	0.9
269.13202	9.8
270.10370	1.3
270.13962	4.5
271.11200	2.8
271.14786	4.0
272.12311	1.8
272.15533	1.5
273.12732	2.4
273.16312	1.7
274.13522	0.6
275.11603	0.4
275.14243	2.3
276.14816	0.4
277.10089	0.4
277.15836	2.3
278.10965	0.5
279.11600	4.1
280.12393	3.0
281.10107	0.7
281.13205	5.0
282.10431	1.2
282.13965	4.8
283.11237	2.6
283.14816	7.6
284.11935	1.8
284.15585	6.0
285.12744	3.9
285.16339	4.3
286.13422	1.9
286.16934	1.0
287.14291	3.2
287.17780	0.7
288.14935	0.8
289.15869	1.2
291.08734	0.3
291.11725	1.1
292.12488	1.0
293.13150	3.8
294.13986	5.3
295.11240	0.9
295.14700	5.7
296.11978	1.5
296.15518	3.7
297.12750	3.8
297.16376	5.0
298.13434	2.0
298.16995	1.6
299.14304	3.8
299.17938	2.5
299.21161	0.4
300.15015	1.8
300.18204	0.5
301.15857	4.2
302.16437	1.2
303.11566	0.8
303.17352	1.1
304.12366	0.6
305.13049	1.8
306.13812	1.7
307.11172	0.8
307.14807	3.1
308.11945	0.8
308.15570	2.3
309.12823	1.5
309.16312	12.5
310.13419	1.6
310.16977	3.5
311.14233	3.2
311.17947	3.9
312.15051	3.1
312.18613	1.0
313.15808	3.7
313.19583	2.0
314.16522	0.9
315.17328	2.6
316.17892	0.6
317.13086	0.9
318.13974	1.0
319.14798	1.9
320.12064	0.4
320.15387	1.5
321.12714	1.0
321.16443	2.2
322.13406	1.0
322.17139	1.8
323.14258	2.7
323.17966	3.5
324.15067	1.1
324.18597	6.6
325.15799	3.0
325.19418	1.8
326.16501	1.1
326.20087	0.5
327.17401	16.3
328.17926	3.0
329.15329	1.1
329.18994	2.6
331.11093	0.4
331.14590	0.5
332.15579	1.0
333.12756	0.7
333.16382	2.2
334.13458	0.7
334.17163	1.8
335.14249	1.4
335.17957	1.9
336.14948	1.7
336.18701	0.7
337.12216	0.6
337.15811	2.4
337.19510	1.6
338.12973	0.5
338.16531	1.5
338.20319	0.6
339.13657	0.4
339.17331	2.9
340.18118	1.1
341.19049	2.7
342.19504	0.4
343.16998	0.5
345.12732	0.4
346.13382	0.5
347.14145	0.9
347.17978	2.6
348.14862	0.6
348.18655	0.9
349.16089	1.6
349.19574	1.7
350.12982	0.4
350.16647	1.9
350.20258	0.5
351.13754	0.6
351.17407	2.9
351.21286	0.5
352.14297	0.5
352.18167	1.5
353.15231	1.1
353.19040	2.4
354.19513	0.5
357.16428	0.5
360.15076	0.5
361.15787	1.2
361.19672	0.6
362.20389	1.4
363.17389	1.4
363.21228	0.9
364.14301	0.6
364.18317	0.7
365.15234	1.1
365.19031	4.5
366.15683	0.5
366.19684	1.7
367.16467	2.3
367.20731	1.8
368.17270	0.4
372.18567	0.6
373.19489	0.4
375.17252	2.6
376.18204	1.0
377.23010	1.8
378.15866	0.4
379.16507	1.6
379.20728	1.3
380.17300	0.7
380.21329	1.4
381.17801	1.8
381.22473	2.9
382.18613	0.6
382.22955	0.3
387.21182	0.7
390.19720	2.5
391.20630	0.5
393.18378	3.2
393.22604	0.4
394.19162	1.7
395.23795	9.9
396.23926	1.0
405.22125	12.6
406.22519	1.9
408.20813	4.3
409.21045	0.7
423.23157	100.0
424.23489	15.7
441.24432	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2354
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
52.76439	0.4
55.05505	0.6
67.05508	0.8
69.03425	0.6
69.07082	0.6
69.21364	2.8
69.21772	0.5
78.02376	0.4
79.05505	1.4
81.07072	1.6
81.80710	0.4
82.30421	0.4
91.05498	1.0
93.07062	1.3
95.04964	0.6
95.08614	1.2
102.98665	0.4
105.07039	0.8
107.08613	1.0
109.06556	0.5
109.10201	0.5
119.08611	1.0
121.10155	0.9
123.04440	1.1
130.30008	0.4
131.08582	0.7
133.10129	0.6
137.05995	0.5
145.06535	0.5
145.10132	0.6
147.04428	1.0
147.11647	0.6
149.09729	0.5
157.10106	0.6
159.11691	0.6
163.11143	0.4
165.09203	0.5
175.03940	1.7
175.07590	0.6
203.05269	23.4
204.05736	0.7
211.11496	0.4
271.06207	1.0
271.13187	0.5
282.17758	0.6
340.37405	0.4
355.12030	0.5
423.23688	100.0
424.18985	0.9
424.23999	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76439	0.4
55.05505	0.6
67.05508	0.8
69.03425	0.6
69.07082	0.6
69.21364	2.8
69.21772	0.5
78.02376	0.4
79.05505	1.4
81.07072	1.6
81.80710	0.4
82.30421	0.4
91.05498	1.0
93.07062	1.3
95.04964	0.6
95.08614	1.2
102.98665	0.4
105.07039	0.8
107.08613	1.0
109.06556	0.5
109.10201	0.5
119.08611	1.0
121.10155	0.9
123.04440	1.1
130.30008	0.4
131.08582	0.7
133.10129	0.6
137.05995	0.5
145.06535	0.5
145.10132	0.6
147.04428	1.0
147.11647	0.6
149.09729	0.5
157.10106	0.6
159.11691	0.6
163.11143	0.4
165.09203	0.5
175.03940	1.7
175.07590	0.6
203.05269	23.4
204.05736	0.7
211.11496	0.4
271.06207	1.0
271.13187	0.5
282.17758	0.6
340.37405	0.4
355.12030	0.5
423.23688	100.0
424.18985	0.9
424.23999	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2353
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
55.73669	0.4
64.04482	0.4
67.05526	0.5
69.07057	0.7
81.07052	1.1
83.04959	0.6
83.08643	0.7
91.05502	1.3
91.88219	0.4
93.07029	1.3
95.08624	1.1
105.07037	0.8
107.08574	0.8
109.10160	0.9
119.08595	0.7
123.04404	0.5
131.08571	0.6
133.10146	0.7
135.11726	0.5
147.11807	0.5
157.10175	0.8
175.11183	0.4
177.09048	0.4
198.79292	0.4
203.05270	24.2
204.05724	0.6
229.03023	0.5
342.81055	0.5
403.21790	0.5
405.20538	0.5
423.23520	100.0
424.23926	10.4
444.62234	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2354
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
67.05496	0.6
68.49233	0.4
69.07079	0.5
69.54084	1.9
70.05785	0.4
78.80178	0.3
79.05486	0.7
81.07056	1.1
83.04997	0.5
91.05479	0.8
93.07045	0.4
95.08608	0.8
98.22683	0.8
99.17196	0.3
103.50858	0.3
105.07011	1.0
109.06526	0.5
119.08556	0.7
121.10142	0.4
123.04450	0.6
133.10181	0.4
147.11700	0.5
171.11624	0.5
176.72395	0.4
187.62852	0.4
201.03754	2.1
203.05269	33.5
204.05621	0.8
243.06627	0.5
271.06058	2.0
423.23526	100.0
424.23883	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2354
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
55.05498	0.4
67.05505	0.5
71.31430	0.4
79.05495	0.6
81.07063	0.9
83.04980	1.6
91.05513	0.4
93.07014	0.5
95.08624	0.4
100.11275	0.7
105.07036	0.9
107.08575	0.6
109.06536	0.7
111.04411	0.4
119.08598	0.7
121.10186	0.5
123.04385	0.6
123.11678	0.3
137.05930	0.4
147.08052	0.3
155.08566	0.5
157.10155	0.3
160.07564	0.6
165.05536	0.4
175.11150	0.5
178.26137	0.3
203.05269	25.1
204.05623	0.7
233.11969	0.3
265.23572	0.4
271.06030	4.3
287.70117	0.4
301.07187	0.4
384.29526	0.3
423.23483	100.0
424.23856	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.3
54.97673	5.9
55.01866	6.3
55.05504	17.5
57.03378	6.1
67.05153	7.9
67.05505	47.6
69.07071	36.1
71.30101	9.2
79.05484	17.8
81.07058	63.4
83.04982	22.7
83.08604	8.9
89.06000	6.5
91.05482	34.5
93.07046	57.6
95.04980	11.2
95.08611	71.1
105.07027	52.8
107.08601	56.2
109.06529	16.7
109.10165	100.0
111.04435	16.8
111.08092	12.4
117.07019	25.9
119.08587	45.9
121.06524	12.6
121.10132	39.1
123.08089	10.1
123.11703	24.5
128.06247	7.0
129.06146	6.1
129.06979	31.2
131.04857	7.7
131.08563	31.9
133.06514	11.8
133.10124	48.6
135.08064	13.8
135.11688	15.9
137.09619	11.4
139.07503	7.8
141.06979	16.0
142.07829	7.0
143.08578	49.3
144.09157	6.7
145.06494	11.9
145.10121	47.5
147.08060	7.6
147.11719	19.3
149.13206	7.8
151.07573	7.1
155.08557	24.6
156.09245	9.1
157.10130	47.3
159.08035	10.1
159.11723	34.9
161.13280	14.9
163.07544	13.0
163.14948	8.8
166.07704	7.2
167.08606	14.5
169.10175	28.0
170.10649	7.4
171.08105	10.7
171.11700	22.7
173.09612	7.5
173.13245	13.2
175.07513	7.9
175.11273	7.5
175.14899	13.5
177.09134	7.5
181.10106	23.9
183.11725	32.1
183.13248	5.5
185.13240	16.8
187.07571	25.1
187.14789	12.9
189.09120	16.2
189.16316	11.0
191.10690	7.1
192.09398	6.7
193.10149	14.3
195.11652	26.9
197.09581	7.6
197.13196	8.1
199.11234	9.6
199.14790	9.8
201.16461	17.1
203.10593	7.3
203.17952	13.9
207.11761	8.6
209.09630	8.6
209.13277	11.3
211.11125	11.9
211.14819	7.7
213.12758	10.3
221.13257	14.8
223.14799	23.3
225.12767	6.2
225.16476	5.7
229.12228	7.6
237.12784	9.0
237.16434	7.7
241.12250	10.9
243.13802	11.1
247.14906	11.3
251.17897	8.3
265.15964	28.8
269.15488	8.7
283.16913	92.7
284.17441	12.4
285.18460	23.3
309.18405	16.0
377.24622	9.0
387.23044	15.4
405.24164	23.5
405.35300	13.6
423.25171	90.7
423.31329	7.4
423.35977	21.9
424.25589	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.4
53.28259	1.9
54.75411	2.1
55.01884	2.6
55.05518	21.4
57.07084	2.8
67.05513	27.0
69.03433	4.9
69.07079	5.6
71.04977	3.8
79.05488	24.0
81.03434	3.9
81.07058	26.9
82.03750	2.7
83.04980	49.1
83.08662	2.9
89.60631	2.3
91.05484	30.1
93.07047	38.2
94.36676	2.5
95.05013	10.4
95.08602	36.4
96.08964	2.1
97.06554	5.3
98.22593	4.3
99.04444	3.9
105.07026	32.2
105.07645	2.3
107.08601	28.6
107.09187	2.6
108.30151	2.5
109.02898	5.2
109.06527	13.0
109.10160	29.1
111.04409	12.6
111.08116	8.8
113.06054	3.1
115.05421	3.8
117.07042	16.4
119.08591	27.6
121.06509	12.4
121.10133	11.9
123.04444	2.4
123.08103	9.7
123.11665	3.4
127.03919	3.1
128.06271	9.7
129.07054	11.5
130.07823	2.4
131.08577	29.5
133.06540	3.4
133.10147	18.3
135.08054	11.7
135.11758	6.5
137.05997	6.1
139.07585	5.1
141.07043	7.5
142.07835	7.4
143.08574	26.1
145.06509	4.7
145.10121	24.7
146.10841	4.3
147.04488	3.4
147.08092	8.9
147.11682	14.7
149.09694	6.3
149.13284	4.6
153.07039	3.3
154.07835	3.5
155.08553	15.6
156.09399	9.8
157.10132	29.6
158.07339	2.8
158.10631	2.7
159.08127	9.5
159.11688	18.9
161.09634	15.3
163.07642	4.0
163.11137	2.8
165.07054	5.6
166.07826	2.8
167.07333	2.4
167.08601	10.4
168.09343	6.2
169.10123	30.1
170.10915	4.4
171.08090	7.4
171.11697	26.4
172.09003	4.3
173.09581	17.0
173.13235	16.7
175.03996	4.8
175.11270	8.5
177.09154	8.9
179.08665	8.0
179.10687	3.4
180.09381	2.7
181.10106	18.8
182.10918	3.9
183.11691	22.2
184.12442	2.4
185.09685	11.4
185.13248	13.7
187.11296	8.4
189.12910	3.1
191.10779	4.4
192.09384	3.0
193.10158	11.7
194.10988	6.6
195.11679	28.5
196.12381	5.4
197.09679	4.5
197.13231	19.0
199.11293	10.4
199.14938	2.9
201.12820	8.2
203.10677	5.2
205.10185	5.4
205.12421	4.0
206.11002	4.4
207.11646	15.4
208.12570	3.6
209.13229	21.3
210.13971	3.2
211.11279	10.6
211.14977	9.2
213.12819	9.0
213.16571	2.7
215.10780	3.7
217.10107	3.4
217.12273	3.5
219.11816	8.2
220.12596	3.1
221.13272	18.0
222.13974	5.8
223.11330	8.0
223.14801	21.4
225.12761	5.4
225.16470	7.0
227.10767	6.9
227.14429	7.2
229.12329	7.4
229.16151	7.1
231.13905	6.3
233.13390	4.2
235.11212	3.4
235.14923	9.1
237.12816	8.3
237.16469	10.1
239.14313	13.5
241.12283	3.9
243.13913	4.2
245.13298	4.5
245.15529	8.9
247.14879	6.6
247.17125	7.9
249.12819	4.6
249.16507	9.3
251.14418	6.1
251.18115	5.6
253.15884	4.0
255.14034	6.6
257.15549	10.7
261.16522	4.2
263.14331	5.3
263.18158	5.0
265.15842	12.7
267.14520	3.7
267.17572	13.4
268.18378	3.4
269.15643	3.2
273.16455	4.6
275.14273	3.4
277.15912	3.3
279.17404	2.9
283.17023	21.7
284.17636	3.1
285.18726	3.1
289.16156	3.0
291.17633	10.2
293.18909	5.6
295.17380	4.9
295.20645	4.1
296.17719	2.8
297.18628	4.2
301.15903	2.9
305.18988	4.1
309.18573	9.0
311.20215	4.3
323.20114	6.9
324.20914	14.7
325.21622	3.2
349.21741	3.7
359.23950	4.7
369.22452	4.9
377.25131	11.5
387.23221	24.9
388.23575	3.1
395.22986	2.8
405.24307	59.7
406.24887	9.8
423.25366	100.0
424.25778	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.05511	8.9
57.03448	1.0
57.07068	1.4
57.60106	0.8
59.04992	1.4
67.05508	14.0
69.03419	1.5
69.07065	4.0
71.05003	1.5
71.30801	1.1
71.31126	0.8
71.54704	0.7
77.03934	1.0
79.05494	7.0
80.13542	0.8
81.07060	13.2
83.04979	11.0
83.08596	1.6
85.06542	1.2
91.05482	11.4
93.07044	21.1
95.04974	3.7
95.08047	1.6
95.08608	23.5
97.06546	2.7
103.05470	1.3
105.07029	13.2
107.04974	0.9
107.08595	10.5
109.06522	3.6
109.10149	8.0
111.04446	4.5
111.08080	4.7
115.05459	1.1
117.07009	7.6
119.08580	10.8
121.06509	3.3
121.10117	7.1
123.08074	6.3
123.11719	2.8
125.09589	1.3
128.06229	3.0
129.07018	6.9
131.08574	11.0
132.50699	0.8
133.10162	8.2
134.10432	0.8
135.08035	5.3
135.11694	3.7
137.09561	1.3
139.07581	2.0
141.06996	4.6
141.09091	1.1
142.07800	4.7
143.08559	15.8
145.06445	2.4
145.10112	10.4
147.08078	1.7
147.11635	2.8
149.13243	1.8
153.07031	2.0
153.09109	1.6
154.07738	3.9
155.08546	15.1
156.02994	0.8
156.09332	1.9
157.10141	16.6
158.10785	1.6
159.08063	3.1
159.11699	8.2
161.09627	3.8
161.13222	2.2
163.07570	2.1
163.11160	1.5
165.06978	2.7
166.07869	2.0
167.07166	1.4
167.08554	8.6
167.10617	1.0
168.09363	5.6
169.10132	30.8
170.10645	1.6
171.07988	1.6
171.11716	7.2
173.09636	2.9
173.11864	1.2
173.13306	2.2
175.11140	2.0
177.09003	1.5
178.07703	1.0
179.08586	2.9
180.09386	2.4
181.08614	1.5
181.10135	15.5
182.10832	2.6
183.11694	15.3
185.09599	2.0
185.13243	5.0
187.11137	1.4
187.14851	1.7
189.12738	1.6
191.10675	1.3
192.09283	1.9
193.10152	7.1
194.10860	3.1
195.11679	14.4
196.12343	3.1
197.09709	2.0
197.13228	5.4
199.11174	1.8
199.14844	2.9
201.09111	5.1
201.16408	1.4
203.08813	1.0
203.10602	2.2
204.09340	1.1
205.10202	1.8
206.10953	2.1
207.11665	5.6
208.12384	2.9
209.09613	2.8
209.13211	11.0
210.13945	1.3
211.11223	4.3
211.14801	2.2
213.09077	2.7
213.12750	1.6
213.16354	1.4
215.10635	3.4
217.10229	1.4
217.12164	1.9
218.10913	1.4
219.11729	3.3
219.13670	1.2
220.12456	1.4
221.13219	8.6
223.11162	3.2
223.14799	16.8
224.15326	2.0
225.12672	2.5
225.16330	2.3
227.10696	18.0
227.14142	1.3
227.18088	1.1
228.11192	1.1
229.12245	4.6
229.15926	1.1
230.12929	1.1
231.11438	1.0
232.12369	1.2
233.13251	1.3
235.11223	1.4
235.14909	2.3
237.12659	2.0
237.16385	4.9
238.13333	1.1
239.10710	1.2
239.14365	1.2
241.12222	2.0
241.15912	1.3
243.13823	3.6
245.13278	1.3
247.14816	6.8
249.12845	1.1
249.16417	3.1
251.17885	2.3
255.13768	3.1
263.14246	2.0
265.15866	7.0
265.19366	1.8
266.16342	1.2
267.13812	1.5
267.17505	1.9
269.15393	3.9
273.16373	1.6
275.14221	1.0
275.18344	0.9
277.15674	1.1
282.16068	1.6
283.14001	1.5
283.16940	22.9
283.20148	1.9
284.17468	3.2
285.18579	4.1
286.70724	1.2
291.17215	1.9
299.19547	1.0
309.18536	2.5
323.09109	1.3
323.20007	1.8
324.20755	2.8
359.23822	2.2
377.24646	3.2
387.23178	6.1
405.23834	8.1
405.28113	2.5
406.23877	1.3
423.14209	24.9
423.25201	100.0
424.14404	3.8
424.25543	12.0
424.29999	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.253
Annotation	CHEBI:67697
Peak:m/z	Relative Intensity
53.03948	2.7
55.05514	7.2
64.94130	0.8
65.03951	1.1
65.41507	0.8
67.05508	14.4
69.03436	3.1
69.07072	5.3
71.04977	2.1
71.30988	1.5
79.05499	7.4
81.07056	16.7
83.04982	6.5
83.08611	2.5
85.02866	0.8
85.06558	0.8
91.05470	12.1
93.07047	12.9
93.99580	0.8
95.04971	2.0
95.08605	10.4
97.02883	9.4
97.06521	2.1
99.04451	3.4
101.06012	1.0
105.07037	12.4
107.04970	1.8
107.08602	9.7
109.06509	7.4
109.10143	8.9
111.04449	2.4
111.08079	4.7
115.03873	0.9
115.05431	1.5
117.06996	4.4
119.04961	0.9
119.08575	11.2
121.06477	4.6
121.10133	6.0
123.08064	3.5
123.11688	1.5
125.06026	0.8
125.72214	0.9
127.03926	1.1
128.06259	3.7
129.06979	5.4
131.08559	10.4
133.06528	2.1
133.10130	9.3
135.08066	3.2
135.11705	3.0
137.05978	8.9
137.09654	2.4
139.07555	1.3
141.06981	5.0
142.07765	4.4
143.08562	11.2
144.09320	2.1
145.06514	2.5
145.10109	7.7
146.07240	1.0
147.08028	6.4
147.11665	3.8
149.09650	1.8
149.13281	2.6
153.06985	1.6
154.07671	0.9
155.08530	8.3
156.09325	1.9
157.06529	2.9
157.10095	9.5
158.07243	2.5
158.10710	0.8
159.08038	8.3
159.11662	5.9
161.09628	14.3
161.13261	1.4
162.10320	1.5
163.07530	1.5
163.11201	2.3
165.07024	3.6
165.09155	1.1
167.08597	4.2
168.09377	1.4
169.10114	7.9
170.10912	4.3
171.08046	8.7
171.11661	7.8
172.08826	2.9
173.09590	5.1
173.11830	1.6
173.13171	1.8
175.11182	6.5
175.14851	2.0
177.09238	1.4
177.12737	1.3
179.08577	3.2
180.09259	1.6
181.06528	1.4
181.10110	5.2
182.07274	1.0
182.10936	2.2
183.08087	3.8
183.11676	8.6
183.12865	0.8
184.08809	1.5
184.12428	0.9
185.09634	6.6
185.13257	9.7
186.10423	1.6
186.13708	0.8
187.11182	5.2
187.14830	1.1
189.09143	1.4
189.12802	2.3
192.09348	1.6
193.10130	4.6
194.10768	1.1
195.08086	2.1
195.11742	6.2
195.13498	1.2
196.08838	1.7
196.12422	1.1
197.09610	5.4
197.13287	7.2
198.10367	2.7
199.11174	8.8
199.14807	2.7
200.11909	1.1
201.12743	13.2
202.13132	1.0
203.14252	4.3
205.10292	1.0
206.10886	1.5
207.10103	2.1
207.11766	4.2
208.08858	1.0
208.12407	1.0
209.09634	2.7
209.13191	4.7
210.10388	2.7
210.13966	1.5
211.11166	10.7
211.14857	3.3
212.11983	2.5
213.10730	1.2
213.12737	23.3
213.16280	1.2
214.13356	2.8
215.14299	1.3
219.11774	1.5
220.12454	1.2
221.13286	3.0
223.11206	3.2
223.14864	3.0
224.11957	1.5
224.15480	1.0
225.12724	12.2
225.16431	2.7
226.13373	2.4
227.10652	1.3
227.14250	6.4
233.09679	0.8
233.13283	1.5
235.11264	1.3
235.14890	2.3
237.12750	2.4
237.16415	2.0
238.13414	0.9
239.14299	6.2
239.17938	5.7
240.14970	0.9
241.15942	2.4
244.08322	0.9
247.14865	1.7
249.12779	1.3
249.16571	2.0
251.14299	2.7
251.17972	1.3
253.15862	20.2
254.16324	1.3
263.14423	2.2
265.15942	2.5
265.19412	1.5
267.17422	18.7
268.18240	8.0
269.18964	4.7
279.21188	1.6
291.17593	1.0
293.18933	2.0
295.20535	6.6
297.22205	3.7
298.22464	1.1
303.17520	1.0
307.20511	2.4
309.22043	1.2
325.21719	8.0
359.23990	1.8
377.24924	1.9
387.23172	3.6
395.26178	1.0
405.24283	35.7
406.24673	3.5
420.96713	0.9
423.25305	100.0
424.25623	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2528
Annotation	20-Oxo-21-nor-20,21-seco-tingen-22-al
Peak:m/z	Relative Intensity
51.28633	1.2
53.03947	1.7
55.05503	4.6
55.87867	1.1
59.00023	1.1
67.05508	10.6
69.07066	3.7
69.21584	8.6
70.43132	1.1
79.05493	8.1
80.69414	1.1
81.07061	10.5
83.04984	6.2
91.05483	9.7
93.07044	17.7
93.77180	1.1
95.04963	2.7
95.08606	18.4
98.23375	2.2
105.07027	9.7
107.08591	9.4
109.06524	2.8
109.10164	4.4
111.04448	2.4
111.08090	4.0
117.07043	6.3
119.08566	8.8
121.06505	4.3
121.10142	4.6
123.08051	4.5
123.11719	1.5
128.06236	3.0
129.07014	5.4
131.08557	8.1
133.10141	5.8
135.08041	2.9
135.11650	2.9
137.06021	1.6
139.07518	1.8
141.06976	5.9
141.09085	1.6
142.07782	4.5
143.08574	15.5
145.06488	1.8
145.10121	8.2
147.08032	1.8
147.11685	2.6
149.09615	1.6
153.07059	3.0
153.09114	3.4
154.07777	3.6
155.08553	14.9
156.09290	3.6
157.10146	17.0
159.11708	4.5
160.22264	1.1
161.09639	3.6
161.13278	2.4
163.07619	2.1
165.07051	2.1
166.07744	2.6
167.08607	8.4
168.09349	6.9
169.10139	30.5
169.11523	2.3
170.10680	1.4
171.11642	6.6
178.07771	1.3
179.08545	2.7
181.10107	16.2
182.10837	2.6
183.11694	16.5
184.12273	1.3
185.09656	2.3
185.13278	3.8
192.09424	1.5
193.10103	7.3
194.10793	2.5
195.11688	14.1
196.12198	2.1
197.09589	2.2
197.13354	4.8
199.11238	1.9
203.55614	1.5
206.10965	2.6
207.11662	5.9
208.12453	3.2
209.09689	2.5
209.13246	9.5
210.13953	2.9
211.11238	3.4
211.14835	2.5
213.00032	1.1
213.09212	1.8
215.10713	1.6
217.12265	2.2
219.11734	2.9
221.13205	10.3
223.11304	1.6
223.14822	17.6
224.15242	2.4
225.12724	2.9
227.10687	13.4
228.11133	2.1
229.12242	6.1
232.12477	2.6
235.14822	1.5
237.12634	2.2
237.16437	5.4
239.17979	2.3
241.12131	1.8
243.13835	2.5
245.15483	2.4
247.14833	10.9
249.16446	2.6
255.13823	2.9
265.15900	10.3
267.13867	1.2
267.17529	1.4
269.15503	2.0
271.06018	3.7
277.15909	2.5
283.16934	27.0
284.17456	3.1
285.18488	4.4
291.17496	1.4
295.17133	1.4
309.18427	2.8
324.20816	3.9
359.23636	2.0
369.22198	2.0
377.24664	6.2
387.23175	5.4
392.63647	1.3
405.24097	10.8
423.13956	4.0
423.25275	100.0
424.25610	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2529
Annotation	20-Oxo-21-nor-20,21-seco-tingen-22-al
Peak:m/z	Relative Intensity
53.03939	1.6
53.92903	0.9
55.05513	5.3
56.95639	0.9
57.03440	1.2
65.03937	1.0
67.05506	12.2
69.03446	1.4
69.07070	4.3
69.35289	3.1
69.35697	3.2
71.04973	2.0
79.05499	7.1
81.07057	10.9
83.04976	8.6
85.06563	1.1
91.05478	11.1
93.07040	13.8
95.04961	2.3
95.08607	23.2
97.06541	2.8
105.07040	14.0
107.04990	0.9
107.08588	13.0
109.06538	3.3
109.10132	5.3
111.04459	4.1
111.08069	4.9
113.05985	1.3
115.05456	1.5
117.07024	5.2
119.08591	11.2
121.06516	3.9
121.10153	5.7
123.08070	4.8
123.11710	1.5
127.07581	1.4
128.06229	2.2
129.06996	5.6
131.08569	10.2
133.06517	1.0
133.10117	5.6
135.08058	4.3
135.11740	1.1
137.09624	1.3
139.07576	3.2
141.06982	5.9
141.09128	2.8
142.07768	5.1
143.08566	13.5
144.09006	1.1
145.06499	1.5
145.10118	9.2
147.08078	3.2
147.11697	2.1
149.09651	1.7
153.07014	3.0
153.09029	1.1
154.07794	2.9
155.08568	15.1
156.09306	3.1
157.10123	17.7
158.10675	1.7
159.08058	4.6
159.11736	3.8
161.09598	4.8
161.13254	1.1
163.07593	2.3
165.07042	4.1
166.07874	2.5
167.08606	8.9
168.09380	6.0
169.10126	28.4
170.10725	1.9
171.11638	6.4
173.09659	3.5
173.13287	1.9
175.11229	2.3
177.09122	3.2
179.08598	3.7
180.09399	1.4
181.10139	15.5
182.10849	2.0
183.11690	18.6
184.12099	1.2
185.09650	2.3
185.13222	4.4
187.11206	2.4
189.12723	1.4
191.10730	1.2
192.09291	1.8
193.10156	6.8
194.10930	3.5
195.11702	20.9
196.12390	1.7
197.09618	3.4
197.11700	1.0
197.13287	6.7
199.11221	3.3
201.09105	1.9
203.10629	2.1
205.10196	1.1
205.12170	1.1
206.10841	1.7
206.61472	1.0
207.11719	7.7
208.12476	3.3
209.09660	3.3
209.13255	17.2
210.13933	2.0
211.11145	5.4
211.14851	2.6
213.09178	2.0
213.12726	1.7
215.10683	3.2
217.12245	2.6
219.11705	3.3
221.13269	9.9
222.13966	1.6
223.11308	2.0
223.14818	25.7
223.16916	1.8
224.15244	2.8
225.12773	2.6
225.16389	2.3
227.10651	19.6
228.11159	1.5
229.12224	11.5
232.12378	1.6
233.13252	2.4
234.13861	1.9
235.14886	2.7
237.12671	2.9
237.16440	3.5
239.14546	1.2
241.12285	4.5
243.13870	3.2
245.15422	2.1
247.14911	7.5
249.12817	1.6
249.16356	3.5
249.86823	1.1
251.14375	2.4
251.18074	2.2
255.13754	7.8
261.12811	1.0
263.14313	2.7
264.14822	1.3
265.15887	9.1
267.13983	1.5
267.17432	2.3
268.14563	1.1
269.12762	1.6
269.15277	7.5
270.15973	1.1
273.16534	1.2
275.14502	1.0
277.15982	1.9
279.14154	1.1
281.15472	1.9
283.16931	30.3
284.17688	7.0
285.18442	4.5
289.16028	1.1
291.17484	4.4
295.17041	1.8
309.18567	5.3
323.20117	1.8
324.21002	2.5
359.23706	1.8
363.23248	3.4
377.24689	6.1
387.23160	7.2
388.23572	1.7
405.24268	16.7
406.24530	2.3
423.25305	100.0
424.25674	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14484	1.0
53.03936	1.6
55.01869	1.8
55.05510	9.1
60.14330	0.8
61.96246	1.0
67.05176	1.5
67.05502	20.0
69.03427	1.4
69.07063	6.1
69.44376	5.9
71.04986	1.4
78.34538	0.9
79.05488	11.4
81.07056	16.7
83.04979	11.4
83.08607	2.8
85.02887	1.4
85.06531	1.3
91.05482	15.0
92.05775	1.0
93.07043	23.4
95.04950	4.4
95.08606	24.6
95.92545	1.1
97.06516	2.4
97.10181	1.5
98.23309	1.1
99.04465	1.1
105.07023	16.3
107.04959	1.5
107.08598	15.9
109.06485	4.7
109.10148	13.3
111.04442	4.6
111.08110	4.9
113.06037	1.3
115.05452	1.1
117.07024	8.0
119.08575	14.6
121.06505	5.6
121.10135	7.0
123.08073	7.2
125.06049	0.9
125.09583	1.6
128.06218	4.0
129.07018	5.7
131.08562	12.9
133.06490	2.6
133.10110	9.7
135.08086	7.9
135.11678	2.5
135.23141	0.9
137.09590	3.2
139.07529	3.5
141.07034	5.0
142.07733	4.4
143.08560	17.2
144.09373	1.1
145.06520	2.6
145.10139	11.3
147.08040	4.2
147.11705	4.9
149.09595	2.3
149.13231	2.2
151.11172	1.0
153.06998	2.4
153.09114	2.3
154.07738	3.7
155.08556	15.4
156.09291	3.9
157.10136	17.7
158.10553	1.0
159.07994	3.2
159.11684	9.4
161.09639	6.6
161.13252	3.2
163.07471	2.8
163.11122	1.3
165.06956	2.7
166.07770	3.0
167.07050	2.6
167.08543	8.5
168.09344	6.4
169.10117	27.1
170.10719	2.2
171.07974	1.8
171.11684	10.7
172.12180	1.1
173.09612	2.8
173.13263	3.0
175.11177	2.3
175.14795	1.9
177.09076	1.4
178.07744	1.7
179.08517	4.5
179.10724	1.7
179.14293	1.3
180.09334	2.8
181.08617	1.8
181.10094	16.8
181.11575	1.9
182.10794	3.9
183.08075	1.4
183.11687	20.9
184.12144	1.2
185.09613	4.0
185.13191	4.1
187.11197	2.8
187.14806	3.0
189.09094	1.5
189.12756	2.6
189.16176	1.2
192.09441	1.9
193.10133	6.4
194.10773	3.7
195.08020	1.7
195.11710	14.9
196.12250	2.3
197.09572	3.3
197.13286	6.1
198.10364	0.9
199.11194	3.2
199.14798	2.5
201.09103	4.7
201.12642	2.3
201.16422	1.1
203.10699	1.7
205.10098	2.2
205.12039	1.5
206.10849	1.3
207.11674	7.8
208.12343	3.2
209.09583	3.0
209.13271	10.6
210.09998	1.2
210.13954	1.9
211.07433	1.0
211.11179	4.3
211.14674	4.8
213.08997	1.8
213.12682	2.2
213.16336	1.4
215.10628	2.3
215.14343	1.5
217.10155	2.1
217.12170	1.9
219.11641	3.7
220.12480	1.7
221.13258	9.0
222.13654	1.5
223.11124	3.1
223.14841	16.3
224.15186	1.4
225.12704	2.3
225.16348	3.2
227.10655	17.2
227.14256	2.2
227.17914	1.3
228.11124	1.9
229.12224	5.7
231.11446	1.2
231.13701	1.5
232.12383	2.0
233.13235	2.3
235.11163	1.3
235.14755	4.6
237.12679	2.5
237.16328	4.1
239.10574	2.1
239.14375	2.4
239.18011	1.4
241.12149	3.3
243.13841	2.6
245.13213	1.1
245.15421	2.5
245.73401	1.0
246.14214	1.2
247.14799	7.6
249.12724	2.1
249.16309	2.3
251.14238	2.8
251.17978	1.6
253.15858	1.5
255.13878	2.4
257.15317	1.5
259.51135	1.1
263.14243	2.4
263.17712	1.2
265.15833	10.6
265.19281	2.0
267.17511	2.0
269.15472	5.7
273.16245	1.2
275.14264	1.1
281.15408	1.2
283.13638	1.6
283.16913	25.2
283.20020	1.7
284.17267	2.9
285.18433	3.6
291.17395	1.8
295.16776	1.4
309.18350	3.0
323.20047	1.2
324.20844	2.7
331.26035	1.4
359.23553	1.6
363.23004	2.3
365.24588	1.2
369.22116	1.9
377.20648	1.5
377.24805	4.1
387.23285	6.4
405.24054	18.9
406.24448	2.7
423.14185	23.1
423.25165	100.0
424.14236	3.4
424.25424	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2526
Annotation	2'-Epi-Tuberatolide B
Peak:m/z	Relative Intensity
53.03934	1.2
55.01867	0.4
55.05514	3.3
57.03422	0.5
57.07069	0.5
63.48261	0.4
65.03926	0.5
67.05503	7.7
69.03442	0.5
69.07070	2.5
69.40956	2.3
71.04987	0.7
79.05492	5.2
81.07055	8.0
83.04979	4.8
83.08607	1.0
85.02905	0.6
85.06532	1.0
91.05471	6.7
93.07039	12.2
95.04961	2.1
95.08601	16.2
96.08934	0.4
97.06509	1.8
97.10191	0.4
99.04433	0.7
105.04519	0.4
105.07020	7.8
107.08588	7.4
109.06524	2.5
109.10146	3.5
110.61176	0.3
111.04409	2.4
111.08064	3.1
115.05437	1.3
117.07018	4.9
119.08568	4.5
121.06489	3.3
121.10142	3.1
123.08069	5.0
123.11692	0.8
125.05953	0.6
125.90398	0.4
127.07566	0.4
128.06201	2.6
129.06995	4.4
130.07857	0.4
131.08559	6.5
133.10124	3.3
135.08064	3.5
135.11676	1.6
137.05928	0.4
137.09607	0.7
139.07536	1.4
141.06967	4.5
141.09131	0.9
142.07776	2.8
143.08562	12.4
144.09033	0.6
145.06445	1.9
145.10112	5.4
146.07236	0.4
147.08064	1.5
147.11684	2.0
149.09584	1.0
149.13203	0.5
152.06233	0.6
153.06993	1.9
153.08980	0.6
154.07750	3.2
155.08543	14.5
156.09314	2.1
157.10118	12.5
158.10693	0.5
159.08029	1.6
159.11707	2.8
161.09601	2.0
161.13286	1.3
163.07492	2.1
163.11197	0.9
165.07010	2.1
166.07805	1.8
167.08557	7.8
167.10678	0.4
168.09348	6.9
169.10117	25.3
170.10570	1.8
171.08086	0.6
171.11658	3.8
173.09598	1.7
173.13225	0.8
175.11179	1.3
177.09125	1.2
178.07826	0.8
179.08531	2.9
179.10698	0.7
179.14305	3.7
180.09291	2.3
181.10114	13.4
182.10814	1.8
183.08142	0.7
183.11691	14.4
184.12173	1.4
185.09679	1.7
185.13272	2.6
187.11143	1.4
189.12753	1.0
191.08624	0.5
191.10709	0.5
192.09383	1.1
193.10132	5.0
194.10872	2.4
195.11682	10.4
196.12210	1.7
197.09604	2.1
197.13239	3.7
199.11188	1.6
201.09137	1.1
201.12778	0.4
203.10652	1.5
204.87712	0.4
205.10172	1.1
205.12161	0.6
205.16090	0.3
206.10883	1.6
207.11700	5.1
208.12526	2.3
209.09656	3.0
209.13232	6.9
210.13811	1.3
211.11171	2.0
211.14748	1.4
213.09000	2.4
215.10666	2.6
217.10213	0.7
217.12306	1.4
218.10858	0.8
219.11737	2.5
219.13753	0.8
220.12447	0.8
221.09773	0.6
221.13243	7.7
222.13914	1.3
223.11504	1.9
223.14801	12.9
224.15312	1.4
225.12761	1.7
225.16347	1.0
227.10649	20.2
227.14247	0.8
228.11111	2.4
229.12231	5.7
231.11708	0.9
231.13837	0.6
232.12439	1.7
233.13220	0.9
235.11197	0.8
235.14783	1.6
237.12759	2.0
237.16306	2.6
239.14290	0.6
239.17856	0.4
241.12263	2.3
242.12978	0.6
243.13817	2.9
245.13200	0.5
245.15446	1.2
247.14790	6.1
248.15321	0.7
249.12747	1.0
249.16345	1.7
251.14294	0.6
251.17967	1.3
253.12085	0.5
253.16031	0.4
255.13751	2.6
257.15378	0.8
261.12796	0.5
261.16577	0.6
263.14374	1.1
263.17908	0.6
264.18796	0.4
265.15884	6.4
265.19025	0.7
266.16376	0.6
267.13831	1.2
267.17450	0.8
269.15390	1.3
273.16412	0.4
277.15765	0.5
279.13815	0.5
281.15436	1.1
282.16028	1.2
283.16901	18.3
284.17499	2.7
285.18530	2.6
287.17859	0.5
289.15735	0.7
291.17471	2.1
295.16919	1.1
297.18414	0.8
306.19702	0.4
307.16833	0.5
309.18512	2.1
317.19104	0.5
321.18442	0.6
323.20056	0.8
324.20782	3.4
325.21515	0.4
331.16879	0.6
331.20584	0.5
331.26276	1.4
345.21954	0.4
359.23697	0.9
363.23209	1.7
369.22144	1.3
377.24747	3.5
379.26151	0.7
387.23190	3.9
405.24185	6.8
423.25275	100.0
424.25598	14.1
424.30530	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.253
Annotation	20-Oxo-21-nor-20,21-seco-tingen-22-al
Peak:m/z	Relative Intensity
51.28862	2.4
53.03932	3.8
55.01864	5.5
55.05503	10.3
57.03432	2.8
57.07058	2.4
57.67318	2.1
61.66795	2.2
65.03934	2.6
67.05509	28.0
69.07056	11.6
69.45068	12.0
71.10955	2.0
71.38284	2.6
78.31392	2.3
79.05492	19.2
81.07058	25.3
83.04986	13.7
83.08648	2.4
91.05482	20.8
93.07045	37.9
95.04966	7.6
95.08604	41.2
97.06523	6.3
98.23355	3.3
105.07030	34.6
107.08582	21.6
109.06485	6.5
109.10175	16.7
111.04450	5.6
111.08086	11.5
117.06952	10.9
119.08595	26.1
121.06500	7.1
121.10146	9.7
123.08072	12.3
125.09573	3.9
128.06262	6.7
129.06998	8.4
131.08571	23.1
133.10106	14.1
135.08073	9.4
135.11673	5.8
139.07550	3.7
141.06996	7.5
142.07776	9.9
143.08559	24.0
145.06487	4.9
145.10124	23.1
147.08043	7.2
147.11691	5.9
149.13129	2.1
152.21942	2.7
153.07011	4.0
153.09134	3.4
154.07762	4.7
155.08556	24.8
156.09315	7.1
157.06470	3.9
157.10138	30.7
158.10623	2.8
159.08058	6.0
159.11667	14.9
161.09602	9.5
161.13248	5.9
162.09901	2.5
165.06979	5.8
167.08600	12.1
168.09377	6.7
169.10127	52.4
170.10858	8.2
171.07988	3.5
171.11696	22.2
173.13153	5.7
175.11183	3.8
177.09090	4.8
178.07796	2.8
179.08562	7.1
180.09355	6.4
181.06386	3.8
181.10100	19.9
182.10925	5.3
183.11674	40.7
184.12318	4.1
185.09674	4.0
185.13239	8.7
187.11165	5.1
187.14864	4.0
189.12726	9.4
192.09267	2.8
193.10124	15.5
194.10818	6.5
195.08128	3.3
195.11697	29.2
196.08937	2.8
196.12323	3.2
197.09598	5.8
197.13226	13.1
199.11169	9.2
199.14839	8.5
205.10202	5.2
205.12225	3.7
206.10890	3.8
207.11716	12.0
207.13547	3.4
208.12389	7.8
209.09811	5.3
209.13228	27.0
211.11177	15.6
211.14816	7.7
213.12813	3.2
213.16435	3.0
215.10686	4.2
217.12190	7.9
218.10760	2.6
219.11737	6.4
220.12366	2.9
221.13144	19.1
222.13910	4.3
223.11189	8.9
223.14824	52.9
224.15248	4.6
225.12747	12.8
225.16460	3.1
227.10625	11.0
227.14230	5.3
229.12251	28.7
230.12598	2.7
232.12363	3.6
233.13231	3.6
235.11191	3.1
235.14810	6.9
237.12671	10.2
237.16418	15.1
239.14285	3.0
239.17973	2.9
241.12149	6.4
243.13791	19.1
245.15422	5.8
246.34230	2.6
247.14885	14.8
249.16347	8.1
251.14391	3.8
251.17906	4.2
255.13867	11.3
255.21129	2.5
259.14865	2.8
263.14380	8.2
264.14761	3.3
265.15863	31.4
265.18936	2.9
265.19461	2.3
267.17523	3.9
268.14444	2.7
269.15472	5.2
275.14380	2.7
277.15637	2.9
279.17453	3.7
280.96881	2.5
281.15369	4.6
282.16171	2.5
283.16928	77.5
284.17398	8.0
285.18637	4.9
289.16000	3.6
291.17392	10.4
293.15359	3.2
293.18939	2.5
298.61310	2.4
307.17014	5.5
309.18515	8.8
311.19931	3.4
323.20206	3.7
324.20847	7.0
331.20563	2.6
359.23724	7.9
369.22168	6.8
377.24786	14.6
386.38666	2.6
387.23093	26.6
405.24139	73.4
406.24457	6.0
423.25223	100.0
424.25766	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
53.47182	0.4
55.05513	2.6
57.07065	1.3
65.03934	0.6
67.05502	8.4
69.03427	0.6
69.07072	11.5
69.09953	3.7
71.04989	0.4
71.08619	0.5
79.05489	3.6
81.06583	0.6
81.07062	13.0
83.04964	0.9
83.08617	1.7
84.05331	0.4
89.06042	1.0
91.05463	2.2
93.07037	5.7
93.53107	0.3
95.01342	0.4
95.03966	0.4
95.04980	0.8
95.08043	0.8
95.08612	10.3
97.06524	1.0
97.10181	0.7
105.07030	5.2
107.08593	7.8
109.06512	2.7
109.10152	18.3
110.10487	0.5
111.08082	1.2
117.06987	0.6
119.08577	6.7
120.08921	0.4
121.06456	0.4
121.10139	6.5
123.08031	2.8
123.11699	6.1
125.09641	0.4
129.07025	0.7
131.08566	1.9
133.10129	6.2
135.08125	1.1
135.11711	5.2
137.09621	0.6
137.13252	1.2
142.07780	0.5
143.08578	1.5
145.10121	3.3
145.19563	0.4
146.10617	0.4
147.11710	3.9
149.09628	1.2
149.13293	2.7
151.11195	4.3
153.12778	0.5
155.08537	0.6
157.10129	1.8
159.11659	3.9
161.12050	0.4
161.13199	2.1
163.11194	0.6
163.14832	1.0
170.30444	0.4
171.11726	1.8
173.13269	2.9
175.14766	2.3
177.16428	1.2
179.14299	6.5
183.11676	1.0
185.13252	1.3
187.14792	2.3
189.16364	1.4
191.14325	0.4
191.18042	0.7
197.13293	0.7
199.14835	0.8
201.16370	2.1
203.17987	1.3
205.15840	0.5
209.13347	0.6
211.14821	0.7
213.16376	1.1
215.17995	1.0
217.19531	0.8
225.16409	0.5
227.17958	0.7
229.19586	0.6
231.21077	0.5
241.19531	0.6
255.21173	1.6
257.19006	0.4
257.22647	2.8
269.22629	0.7
271.06107	1.6
271.24274	0.8
281.22668	0.8
283.24063	0.6
299.23599	1.0
323.27301	0.4
331.26340	3.1
405.35208	1.2
423.30850	100.0
423.36145	9.2
424.31232	10.5
424.36450	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98037	0.9
55.05517	4.7
57.07074	4.0
67.05498	10.1
68.05875	1.0
69.07066	16.3
70.19683	2.5
70.20028	1.5
71.08648	1.3
79.05502	5.8
81.07059	21.6
83.04997	1.7
83.08624	4.3
85.06519	2.0
87.89840	1.0
89.06034	2.6
91.05480	5.1
93.07039	12.6
95.08606	21.4
96.09021	1.3
97.06530	1.1
99.08083	1.1
99.18475	1.0
105.07032	12.3
107.08591	17.3
107.09278	1.3
108.08945	1.7
109.06506	5.3
109.10152	16.3
111.08128	1.1
117.07008	1.7
118.77616	0.9
119.08566	13.5
120.08874	1.2
121.10139	16.2
123.08065	7.7
123.11697	10.6
125.09599	1.1
129.07053	1.1
131.08589	5.6
133.08569	1.6
133.10126	9.1
135.08076	2.4
135.11705	8.0
137.13264	2.1
143.08560	4.1
145.10097	6.6
147.11720	7.0
149.13211	6.1
151.11162	4.7
153.08897	1.0
157.10143	4.2
159.11681	6.9
161.09550	1.0
161.13252	6.9
163.14862	2.2
166.29665	1.0
171.11726	3.4
173.13382	4.7
173.14688	1.0
175.14742	5.2
177.16365	1.7
179.14311	16.1
180.14676	1.0
182.52487	0.9
185.13292	2.3
187.14838	3.9
189.16435	3.1
191.17986	1.4
193.15952	1.3
197.13271	1.7
199.14850	1.7
201.16467	3.0
203.17955	2.3
213.16478	2.0
215.17903	3.0
217.19572	1.5
227.17969	2.1
229.19475	2.1
231.21092	1.4
233.19179	1.4
239.14905	1.4
239.17984	1.4
255.21069	1.7
257.22714	4.0
269.22647	1.1
271.06073	3.9
271.23953	1.2
281.22797	1.2
283.24078	1.7
331.26205	7.7
349.27420	1.7
405.35376	2.0
423.30902	100.0
423.36221	12.2
424.31244	9.6
424.36246	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.01865	1.6
55.05509	10.7
57.03426	2.9
57.07072	6.0
59.04983	0.9
67.05502	21.0
69.07069	12.8
70.42701	0.8
71.04986	3.5
71.08633	5.0
71.31809	0.7
73.06572	0.7
75.03811	0.7
79.05492	9.5
81.07059	25.9
83.04958	4.0
83.08620	6.5
85.06554	3.1
91.05479	8.8
93.07044	16.8
95.04989	2.4
95.08605	33.5
96.08980	1.0
97.06531	2.8
97.10178	2.2
99.04472	0.9
99.08102	1.9
105.03407	1.5
105.07027	14.9
107.08588	18.4
109.06520	18.6
109.10159	17.8
111.08094	3.3
115.05417	1.3
117.07030	2.8
119.08583	14.5
120.08960	1.0
121.06503	1.5
121.10142	14.1
122.07274	1.5
123.08070	43.8
123.11720	5.4
124.08411	1.3
125.06010	2.0
127.11162	1.1
128.06209	1.2
129.07062	1.9
130.07793	0.8
131.08580	9.0
132.08905	0.9
133.10121	11.2
135.08055	8.5
135.11682	6.4
137.06030	1.2
137.09627	2.9
137.13263	1.5
139.07562	1.7
141.09157	1.1
142.07768	1.2
143.08557	3.4
145.10136	10.7
147.08000	1.4
147.11665	9.7
149.09637	2.8
149.13237	3.4
151.11205	0.9
151.14832	1.3
155.08553	1.5
155.10695	1.0
156.09346	2.1
157.10112	7.4
159.08069	0.9
159.11691	8.8
161.09647	1.6
161.13269	6.4
162.13580	0.9
163.14868	0.9
165.12764	1.7
167.07088	3.0
167.14302	0.9
169.10159	3.4
170.10648	1.1
171.11710	4.3
173.11838	1.6
173.13303	5.9
175.11284	1.1
175.14795	3.9
177.12802	3.3
177.16344	1.5
179.08420	1.0
179.14310	72.3
180.14702	3.3
181.10152	1.6
182.10872	0.9
183.11708	5.7
184.12320	0.9
185.13315	6.4
187.14783	5.1
189.16443	2.7
191.14288	1.0
193.15877	3.9
195.11713	1.8
197.13223	4.1
198.13940	1.2
199.03740	0.8
199.14807	5.7
200.15561	1.9
201.16418	4.9
203.17979	1.6
205.15848	2.6
209.13252	1.8
211.11143	0.8
211.14825	1.9
212.15631	0.9
213.16411	1.8
215.14392	1.0
215.17947	1.9
223.14865	1.7
225.16469	2.6
227.17879	1.8
229.19600	1.5
235.17065	1.3
237.16438	1.6
239.17949	12.2
240.18629	1.9
241.19524	3.1
243.21024	2.1
247.20570	1.0
253.19547	1.5
255.21024	2.3
269.22470	1.1
275.20132	2.1
279.21332	1.0
281.22720	1.1
283.17084	1.8
283.20123	0.8
283.24176	4.0
289.25250	0.9
293.21265	1.7
303.26889	3.2
331.26288	39.3
332.26691	3.5
349.27328	9.3
365.24783	1.2
367.24893	1.7
380.27164	1.3
381.27786	1.1
405.28677	0.8
423.11951	3.0
423.31262	100.0
424.31488	10.1
424.36560	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.0
55.01867	4.3
55.05270	2.6
55.05516	32.7
57.03433	2.6
57.07066	6.2
59.83924	1.8
65.03942	5.6
67.05506	79.9
68.05847	2.5
69.03428	2.9
69.07068	20.9
71.04990	7.4
71.29699	3.1
75.36404	1.8
79.05496	44.7
81.03410	3.5
81.07060	71.2
82.07416	2.8
83.04987	30.3
83.08617	12.3
85.02888	3.6
85.06539	5.5
91.05479	39.9
93.07043	74.9
94.07388	2.2
95.04977	9.7
95.08609	98.0
97.02871	3.2
97.06532	9.0
97.10185	4.6
99.04443	5.3
99.08060	2.6
105.03429	2.0
105.07034	57.8
107.04965	3.2
107.07856	4.0
107.08595	77.3
108.08947	2.4
109.02918	2.0
109.06525	10.3
109.10158	70.0
111.04446	7.9
111.08074	10.9
115.05471	8.0
117.07018	17.6
119.08579	72.3
121.06507	11.5
121.10154	49.0
123.08089	18.7
123.11723	15.0
125.09654	7.4
127.07541	3.4
128.06259	6.4
129.07013	14.6
130.07753	2.8
130.27881	2.0
131.08580	41.6
132.08945	2.4
133.06474	4.6
133.10132	51.0
134.10432	2.4
135.08041	11.0
135.11688	21.8
137.06004	3.4
137.09621	6.8
137.13153	3.0
139.07581	4.4
141.06989	7.0
141.09143	2.2
142.07814	11.0
143.08572	34.7
144.09338	4.5
145.06459	3.1
145.10126	48.8
146.10641	1.9
147.08067	13.9
147.11694	33.7
148.12035	2.1
149.02357	3.5
149.09627	6.2
149.13269	16.4
150.02664	3.0
153.07047	3.8
153.09142	2.5
154.07761	4.4
155.08560	20.3
156.09309	8.9
156.55046	1.8
157.08908	3.0
157.10133	36.9
158.10913	4.3
159.00288	2.0
159.08058	12.4
159.11688	38.1
160.12186	3.2
161.08472	2.2
161.09598	14.6
161.13266	18.3
163.11205	3.7
163.14828	8.0
165.06993	4.9
165.09091	3.3
167.08554	7.6
167.10725	3.7
168.09348	5.4
169.10124	28.2
170.10858	4.1
171.08017	5.2
171.11690	28.9
173.09634	15.5
173.11856	4.1
173.13248	33.8
174.13860	2.2
175.11185	5.5
175.14865	14.4
177.09102	8.3
177.12740	3.0
177.16394	5.5
178.07759	2.7
179.08542	6.8
179.10661	3.3
180.09352	3.4
181.10136	12.6
181.12100	2.0
182.10858	6.9
183.08060	2.5
183.11697	27.6
184.12343	4.5
185.09645	15.6
185.13225	19.4
187.11253	11.1
187.14880	17.3
189.09088	2.6
189.12840	9.9
189.16365	20.8
191.10706	6.0
191.18022	4.6
193.04944	2.9
193.10104	9.3
194.05347	3.5
194.07095	2.4
194.10890	4.2
195.11699	22.5
195.13640	4.3
196.12448	5.4
197.09683	6.4
197.13280	19.9
198.13795	3.2
199.07578	3.3
199.11206	11.3
199.14873	9.0
201.12749	6.2
201.16328	11.5
203.10664	3.9
203.14352	2.6
203.17978	9.4
205.10246	2.2
205.12230	5.6
205.15826	2.4
205.19514	4.4
206.10841	3.4
207.11702	13.0
207.13606	3.1
208.12428	7.4
209.09669	4.7
209.13240	15.4
209.15259	3.8
210.13930	2.6
211.11212	8.5
211.14775	12.6
213.09099	3.6
213.12761	8.7
213.16362	8.6
215.10674	4.5
215.14371	8.5
215.17998	8.0
217.12244	3.2
217.19502	2.9
219.11801	3.5
219.13832	10.1
220.12404	3.2
221.13254	9.9
222.13823	4.0
223.11201	8.7
223.14816	14.1
225.12740	5.4
225.16292	10.4
226.13478	2.2
227.10738	5.4
227.14267	4.7
227.17989	4.6
229.12274	8.4
229.15891	6.0
229.19556	3.7
231.11737	2.8
231.13838	6.7
233.13191	4.8
233.15379	25.4
235.14874	4.7
235.16893	3.0
237.12672	5.6
237.16391	7.0
239.10886	2.5
239.14310	7.2
239.17915	6.7
241.12169	6.0
241.15929	3.9
241.19640	3.7
243.13741	5.4
245.13264	2.7
245.15436	5.5
247.14694	2.9
247.16988	6.0
249.12686	3.4
249.16376	9.0
250.17015	2.5
251.10448	2.6
251.14267	2.6
251.17941	3.9
253.15907	4.5
253.19505	3.7
255.13821	6.1
255.17300	3.3
255.21022	3.5
257.15436	5.7
263.14188	3.1
263.17963	4.0
265.12051	2.1
265.15814	10.1
265.19211	2.6
267.13721	4.6
267.17468	9.7
267.21085	4.5
269.15350	4.1
269.19257	2.5
271.16776	5.7
281.15445	4.2
281.18906	3.9
283.13773	3.3
283.16968	16.7
283.24112	2.4
285.18396	5.6
289.15781	4.3
291.17493	5.2
293.18903	4.8
295.17062	5.0
295.20358	2.1
297.18484	4.0
299.20065	3.3
299.23773	2.6
307.17010	3.2
307.20490	2.7
309.18585	4.0
311.19873	3.9
323.20053	3.3
324.20840	3.3
325.21689	3.4
327.23151	5.1
339.23065	3.1
341.24780	24.5
345.21140	5.7
353.24808	17.1
359.23624	2.7
363.22879	2.6
363.26788	3.1
367.26495	2.9
369.22009	3.0
374.16837	2.8
377.24680	8.7
381.27676	2.4
387.19177	2.1
387.23245	15.0
405.24536	24.8
405.31610	5.5
406.24622	5.6
423.14850	3.3
423.25351	57.6
423.32538	100.0
424.25833	9.6
424.32950	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18826	0.3
53.03925	0.8
53.16663	0.3
55.05280	0.5
55.05507	5.1
57.03419	0.5
57.07081	1.9
59.04953	0.5
67.05501	12.4
68.04925	0.3
68.05804	0.4
69.06255	3.7
69.07063	5.1
71.04984	1.0
71.08611	0.7
79.05481	4.7
80.73390	0.3
81.06591	0.7
81.07050	10.8
83.04951	1.5
83.08618	2.5
85.06516	0.7
87.04453	0.3
89.05995	0.7
91.05471	5.6
93.07036	14.0
94.07351	0.8
95.04930	1.4
95.08601	41.5
96.08920	0.9
97.06488	1.4
97.10141	1.2
99.04413	1.0
105.07021	9.0
107.08592	12.7
108.08913	0.5
109.06522	2.2
109.10154	16.4
111.04433	0.9
111.08071	4.5
113.05976	1.1
115.05459	0.4
117.06976	1.5
119.08571	10.7
120.08791	0.4
121.06465	1.1
121.09305	0.7
121.10135	11.1
122.10484	0.6
123.08070	7.7
123.11703	4.2
124.12000	0.4
125.05929	1.0
125.09606	0.6
127.07529	0.8
128.06192	0.9
129.07011	1.7
131.08563	9.9
132.08891	0.4
133.10120	7.9
134.10562	0.4
135.08017	0.6
135.11682	6.9
135.46997	0.3
137.06012	0.4
137.09589	1.6
137.13228	1.4
139.07558	2.6
139.11156	0.5
140.90433	0.4
141.06979	0.8
141.09103	4.6
142.07761	1.2
143.08568	5.5
144.09335	2.1
145.10115	14.3
146.10722	0.4
147.07976	0.6
147.10622	0.6
147.11690	8.5
148.12059	0.4
149.09654	0.7
149.13268	2.5
151.11331	0.4
151.14783	0.6
155.08565	1.7
155.10579	0.9
156.09261	1.6
157.10112	8.8
158.10905	1.9
159.11673	13.4
160.12157	1.0
161.09599	0.9
161.13249	7.3
162.13585	0.9
163.11163	1.0
163.14857	0.8
168.09222	0.7
169.10127	4.3
170.10892	0.7
171.11684	8.1
172.12311	1.0
173.09569	0.7
173.13246	8.0
174.13669	1.1
175.11150	1.0
175.14799	4.3
177.12669	0.8
177.16377	1.9
179.64780	0.3
181.10081	1.2
182.10886	1.1
183.11671	11.8
184.12476	1.7
185.13251	11.3
186.10484	0.4
186.13834	1.3
187.11137	1.3
187.14832	5.6
188.15219	0.6
189.12747	0.8
189.16377	4.1
190.16666	0.4
191.17920	1.2
195.11679	1.6
196.12442	0.8
197.13246	9.7
198.13954	3.7
199.14810	13.8
200.15572	7.1
201.12675	0.6
201.16357	9.0
202.16693	0.7
203.17946	3.0
209.13239	1.8
210.13940	1.0
211.14807	4.2
212.15485	1.5
213.16365	6.6
214.16884	0.9
215.14243	1.4
215.17899	1.9
217.15900	0.6
217.19447	0.5
219.13751	0.7
223.14870	1.8
224.15608	2.9
225.16376	6.3
226.16969	1.4
227.17969	4.9
229.15919	0.8
229.19461	2.7
231.13704	0.4
233.15236	1.9
235.16911	6.1
236.17293	0.4
237.16364	1.5
238.17137	1.2
239.17923	55.1
240.18526	10.7
241.19485	10.8
242.20045	1.0
243.21066	10.0
244.21385	0.9
247.16922	2.4
249.18413	0.4
251.17918	1.1
253.19460	3.4
254.20251	1.1
255.21150	3.2
256.21436	0.6
257.22549	0.6
265.19519	0.5
267.21014	1.9
268.21698	0.7
269.22601	3.4
271.06018	0.8
279.21246	0.7
281.22632	2.9
282.23383	2.1
283.24182	13.7
284.24390	0.9
297.25745	0.5
305.22446	0.4
323.27188	0.5
324.28094	0.4
325.21542	0.7
334.94370	0.4
339.23148	0.8
341.24820	3.2
343.59109	0.4
353.24710	0.9
353.28873	0.4
363.26801	0.5
365.24542	0.8
367.26154	1.7
379.26224	0.7
380.27069	5.9
381.27701	3.8
423.17755	7.8
423.32510	100.0
424.17932	1.6
424.32892	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01868	2.4
55.05512	21.5
57.07075	4.5
61.61283	1.2
65.03941	2.2
67.05503	34.3
68.05807	1.5
69.07069	16.2
71.04989	1.7
79.05495	22.6
81.07056	45.9
83.04990	4.3
83.08628	9.5
85.02904	4.3
91.05476	24.6
91.06014	2.2
92.05849	1.5
93.07045	46.4
94.07362	2.2
95.04983	3.7
95.08606	72.6
96.08912	1.5
97.06554	2.8
97.10157	8.6
99.04478	1.6
105.07028	43.2
107.08599	52.7
108.62691	1.1
109.06512	3.2
109.07249	1.3
109.10155	42.2
110.10463	1.9
111.04463	2.3
111.08086	3.4
117.06995	8.8
119.08582	59.9
120.08964	2.6
121.06487	3.2
121.10139	42.5
122.10535	2.0
123.08058	11.4
123.11713	11.7
125.09657	5.3
127.07507	1.8
128.06229	3.5
129.07034	5.8
130.07835	1.5
131.07573	2.0
131.08565	29.3
133.10126	43.1
135.08060	4.1
135.11685	20.2
137.09618	1.8
137.13304	2.1
141.07018	3.0
142.07800	4.7
143.08569	18.2
144.09351	2.4
145.06451	2.3
145.10112	32.6
146.10574	1.6
147.08052	6.9
147.11685	27.7
147.12756	2.5
149.09694	3.4
149.13249	12.4
151.14778	1.9
153.09161	3.0
155.08594	7.2
156.09329	6.8
157.10126	23.9
158.10814	2.4
159.08083	3.9
159.11682	25.6
160.12064	1.6
161.09650	5.8
161.13228	17.4
163.07516	1.6
163.11270	2.4
163.14882	6.8
165.07007	1.5
165.09169	2.7
167.08582	2.6
167.10692	2.4
169.10139	11.8
170.10786	1.8
171.11703	17.5
172.12184	1.9
173.09645	8.1
173.13258	24.6
174.13673	2.1
175.11241	3.7
175.14801	13.7
177.09149	3.8
177.16380	8.8
178.65836	1.5
179.08649	1.2
179.10655	1.7
179.77052	1.3
181.10158	4.7
181.12085	1.5
182.10956	2.2
183.11713	10.3
184.12234	2.1
185.09665	4.4
185.13257	12.7
187.11172	3.3
187.14815	18.7
188.15343	1.2
189.12770	4.2
189.16377	23.8
191.10744	5.2
191.18011	4.9
193.10150	3.2
193.12230	2.7
195.11696	6.4
195.13681	2.8
197.09618	1.6
197.13306	10.3
199.11194	3.9
199.14821	10.3
201.12769	2.6
201.16354	10.8
203.10620	1.7
203.14336	3.8
203.17943	11.4
204.18462	1.3
205.12250	4.4
205.15837	1.2
205.19560	2.9
206.10886	1.4
207.11800	2.9
207.13823	2.9
209.09642	1.8
209.13254	4.0
209.15346	1.7
211.11169	3.5
211.14749	6.6
211.40221	1.3
213.12834	2.5
213.16426	5.5
215.14357	4.5
215.17912	7.1
217.12231	1.4
217.15892	1.8
217.19588	2.1
219.11830	3.0
219.13875	7.9
221.13289	3.6
221.15445	5.1
223.14828	4.8
225.16493	4.3
227.14314	1.8
227.18048	4.0
229.19518	3.3
231.13866	4.6
233.15370	22.5
234.15892	2.6
235.14760	3.4
235.16966	3.2
237.12811	2.5
237.16512	3.1
239.14378	1.8
239.17978	4.7
241.19597	3.4
243.13930	2.5
243.21040	2.8
245.15442	4.8
247.14764	1.8
247.17001	5.4
251.14377	1.3
251.17969	1.9
253.19563	4.3
255.21228	1.9
257.15408	2.3
259.16901	2.8
261.18622	1.5
267.21075	3.0
271.17105	2.7
281.18979	1.5
281.22684	1.9
282.00443	1.5
283.13565	1.4
283.16983	3.2
285.18582	3.3
287.20093	2.7
293.19180	1.8
297.18610	1.7
299.20010	2.0
301.21390	1.8
311.20239	1.5
325.21884	1.8
327.23282	4.5
339.23135	2.1
341.24713	23.0
353.24774	18.6
354.25504	1.7
359.19910	1.6
367.26337	3.2
377.21115	2.0
385.52341	1.6
405.19907	1.8
405.24338	2.8
405.31491	4.3
423.23862	5.3
423.32620	100.0
424.32892	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74646	1.8
51.10109	1.5
53.03957	1.7
55.01879	5.2
55.05513	31.2
57.07080	41.8
58.07432	1.7
65.03931	1.9
65.43630	1.8
67.01870	7.3
67.05500	26.3
68.99791	24.9
69.03442	4.1
69.07071	48.1
71.05005	2.3
71.08639	17.7
78.53658	1.5
79.05489	16.4
81.03421	3.8
81.07059	40.1
83.04986	9.7
83.08619	23.7
83.82416	1.7
85.10194	9.5
89.06033	3.5
91.05470	9.4
93.07055	28.5
95.05018	2.3
95.08603	36.5
97.02876	3.4
97.06531	14.7
97.10177	19.8
99.08123	2.0
105.07039	10.5
107.04977	2.7
107.08593	26.2
109.06485	4.3
109.10156	45.5
110.10503	1.8
111.00811	50.9
111.04449	17.2
111.08083	10.2
111.11739	7.3
117.07021	3.8
119.08582	9.1
121.06506	4.1
121.10146	22.7
123.08117	4.5
123.11739	8.0
125.05954	8.3
125.09658	7.6
125.13263	2.1
126.03142	2.8
127.03909	22.0
131.08566	7.2
133.08597	1.8
133.10124	10.5
135.08083	6.5
135.11711	15.6
137.13293	2.2
139.03891	40.5
139.07547	3.8
139.11186	4.0
143.08574	2.6
145.10130	8.3
147.11696	7.3
149.05957	2.5
149.09586	5.0
149.13271	9.9
151.11139	1.7
151.14809	1.7
153.05507	3.8
153.09103	6.3
153.12817	1.9
155.08603	1.5
157.10144	4.7
159.11737	7.7
161.13196	3.0
163.07524	2.9
163.11171	4.0
163.14850	4.7
167.07074	4.0
167.10725	5.3
167.14360	1.6
169.10258	2.7
171.10190	3.7
173.13240	5.0
175.14851	3.8
177.12746	2.9
177.16408	4.4
181.08647	8.8
181.12253	7.0
183.11693	3.5
185.13298	2.8
187.14871	5.1
189.16467	2.0
191.10672	3.0
191.14317	2.4
191.17955	2.3
195.10062	9.9
195.13811	3.6
197.13200	3.0
199.13264	3.0
201.16354	4.0
205.15915	3.2
209.11722	24.7
209.15416	3.0
223.13228	15.1
223.16867	3.2
237.11203	9.9
237.14824	22.1
239.18120	2.2
251.16409	25.1
255.12187	1.9
265.17981	22.8
268.90714	1.8
271.06113	5.4
279.19519	25.4
293.21118	18.8
307.22693	16.6
321.24216	15.3
321.31540	3.3
330.79129	1.8
335.25775	15.1
349.27560	9.2
350.27679	2.0
363.28619	2.3
363.32739	3.7
392.81943	1.9
405.33591	100.0
406.34000	11.0
423.25006	2.5
423.34970	37.0
424.35388	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
53.05757	2.5
55.05513	22.5
55.39037	2.7
55.69969	3.0
57.07072	14.0
67.05507	42.0
69.03421	5.8
69.07075	37.7
69.08009	29.7
71.08606	3.6
79.05497	31.3
81.07059	92.2
82.07354	3.8
83.04932	3.3
83.08624	14.4
89.06035	17.7
91.05471	26.1
93.07040	59.8
94.07433	3.5
95.04978	5.2
95.08608	100.0
97.06504	5.7
97.10178	7.0
99.48376	3.0
105.07030	56.9
107.08595	88.0
109.10162	77.2
110.10473	5.3
111.11756	6.5
117.07054	5.1
119.08586	59.4
121.10146	59.3
122.10499	4.9
123.08128	3.5
123.11723	34.2
125.09664	11.7
130.07779	3.1
131.08585	16.5
133.08588	10.8
133.10114	43.8
134.10501	3.3
135.08115	4.0
135.11697	42.4
137.13226	14.6
139.11218	3.7
143.08585	8.9
145.10133	33.3
147.11676	43.1
148.07449	3.8
149.13248	35.6
151.11127	3.6
151.14798	6.0
157.10149	13.5
158.10692	3.3
159.11687	41.4
161.13266	28.2
163.14810	16.8
169.10181	4.3
171.11714	13.7
173.13257	28.5
175.14833	30.6
177.16412	12.9
183.11836	5.5
185.13237	13.4
187.14793	22.9
189.16386	15.6
191.18063	8.4
197.13290	3.7
199.14842	12.5
201.16454	19.8
203.17909	14.4
211.14787	4.4
213.16429	12.3
215.18013	12.4
217.19484	5.5
225.16566	4.7
227.17944	10.2
229.19507	14.3
239.14948	6.4
239.17903	4.4
241.19554	5.5
243.21164	6.2
253.19383	4.5
255.21118	8.2
257.22681	7.6
269.22702	5.3
271.06064	12.0
271.24191	8.1
283.24234	6.6
285.25839	7.7
297.26047	4.0
341.28674	3.1
405.35205	24.2
406.35663	3.6
423.31992	4.3
423.36243	98.9
423.49207	3.3
424.36554	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.05506	12.0
57.07084	4.1
65.03953	1.8
67.05508	23.7
69.07068	24.3
69.12658	3.8
69.13059	11.0
71.08622	1.5
78.10981	1.5
79.05494	17.9
81.07061	55.3
82.07423	1.8
82.60370	1.5
83.08640	10.0
91.05470	21.5
91.11061	1.4
93.07043	49.1
93.07630	2.8
94.07390	1.9
95.04970	3.9
95.08604	65.1
97.06569	2.2
97.10178	5.6
98.22868	7.4
105.07023	48.0
107.08598	66.7
109.10156	39.8
109.10892	1.9
117.07037	5.1
119.06084	1.6
119.08580	56.2
120.46463	1.6
121.10141	50.4
121.11021	2.9
123.08087	3.1
123.11700	18.5
129.06984	4.2
130.07813	2.9
131.08569	20.0
132.08875	1.6
133.10124	32.4
135.11702	36.0
137.09657	1.6
137.13272	5.8
140.99545	1.9
142.07803	1.9
143.08571	9.4
144.09320	1.7
145.10123	29.6
146.10503	2.2
147.11676	37.9
147.12746	2.5
147.60745	1.7
149.06004	2.3
149.09654	1.7
149.13258	21.9
155.08553	4.3
156.09268	3.7
157.10161	10.8
158.10889	1.9
159.11684	29.4
160.12233	2.5
161.13255	23.5
163.14816	10.6
165.12802	2.6
167.07062	17.2
169.10083	3.9
171.11768	10.7
173.13268	18.3
175.14841	29.7
177.16394	18.9
178.16875	1.7
183.11720	4.2
184.12297	1.9
185.13254	14.2
186.13736	2.2
187.14833	18.5
187.16397	1.9
189.16341	13.9
195.11816	2.0
197.13232	2.5
199.14851	7.2
201.16415	16.0
203.17982	5.6
207.10153	2.7
213.16373	6.9
215.17914	11.0
217.19487	4.1
225.16350	2.0
227.10661	2.5
227.18011	6.4
229.19528	13.8
231.21025	3.9
239.17906	2.9
241.19611	3.8
243.21167	5.9
247.78384	1.7
253.19521	2.2
255.21138	4.1
257.22733	6.1
259.24075	1.6
264.86115	1.8
265.15961	3.0
267.21173	2.1
269.22723	5.9
281.22672	3.0
283.16898	2.9
283.24121	5.6
295.24127	2.1
297.25778	2.4
311.27298	2.7
323.27576	1.9
329.28183	3.2
349.29034	2.8
363.30530	2.9
367.30029	4.6
404.33301	1.7
405.35135	19.5
406.35474	2.9
423.24979	5.7
423.36258	100.0
424.36578	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.8
55.05513	14.9
57.07063	6.7
58.78216	1.8
65.03944	1.9
66.68713	1.7
67.05169	2.5
67.05507	25.4
69.04314	2.8
69.04713	18.2
69.07066	25.1
69.98079	1.9
79.05496	18.6
81.07056	82.0
83.03535	1.8
83.04996	13.7
83.08625	13.8
91.05481	18.1
93.07044	55.4
94.07375	2.5
95.04967	2.3
95.08608	89.7
96.08924	2.4
97.06502	4.5
97.10156	6.3
103.05434	1.8
105.07030	41.8
107.08595	74.9
109.06521	3.4
109.10155	62.2
110.10486	1.8
111.08064	2.5
111.11650	2.9
117.07013	4.2
119.08575	47.6
121.06506	2.2
121.10142	69.5
122.10516	2.1
123.08054	4.5
123.11699	32.7
125.09645	4.0
129.06944	2.2
131.08574	13.9
133.10121	36.1
134.10486	2.3
135.08101	1.7
135.11696	53.4
137.09639	5.5
137.13254	17.8
139.11250	4.6
143.08553	3.1
145.10146	14.9
147.11685	39.8
149.09616	6.5
149.13258	47.1
149.14464	2.4
150.09930	1.9
150.13669	2.0
151.11165	5.8
151.14815	5.0
157.10101	2.7
159.11713	19.1
161.13251	25.4
163.11188	8.1
163.14807	29.1
164.44922	2.0
165.12662	2.5
171.11707	2.5
173.13278	15.1
175.14819	36.1
176.15137	2.3
177.12758	6.3
177.16365	20.1
185.13232	3.0
187.14813	11.5
189.16396	25.6
191.14340	6.7
191.17937	24.2
192.51299	2.1
193.15877	11.1
199.14873	2.8
201.16451	7.4
203.17946	17.8
205.19572	4.3
207.17436	2.9
213.16405	3.9
215.17946	6.4
217.19484	16.2
227.17850	3.7
229.19548	9.0
231.21104	28.7
232.21413	2.1
269.22690	2.3
271.24194	2.4
273.22079	2.2
285.25821	7.5
327.26721	3.5
367.30060	4.4
381.31738	2.7
405.35074	3.9
423.36197	100.0
424.36511	15.6
426.68469	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63287	1.9
53.03940	4.3
55.05504	19.7
57.07070	8.6
57.22198	2.1
63.86100	2.0
65.03954	2.7
67.05510	31.3
69.07065	26.2
69.20695	8.7
69.21122	10.2
76.73757	2.2
79.05499	20.6
81.07053	68.2
83.04993	6.1
83.08607	12.0
85.06543	2.8
91.05482	23.9
93.07046	49.1
95.04978	3.3
95.08604	77.9
97.06555	2.2
97.10187	6.3
105.07032	54.6
107.08595	68.9
109.06504	2.7
109.10159	47.6
110.10522	2.4
111.08067	2.4
117.07034	7.2
119.08578	60.3
121.10143	52.4
123.08070	3.2
123.11704	19.3
126.64146	2.1
128.06198	2.6
129.07042	4.6
131.08578	21.9
133.10114	33.5
135.11691	34.0
137.09694	2.5
137.13274	7.9
141.77209	2.1
142.07863	3.7
143.08560	11.6
144.09424	2.6
145.10130	33.5
147.11676	43.6
148.12010	2.5
149.13252	24.9
151.14830	2.7
155.08563	4.0
156.09297	2.1
157.10138	17.6
159.08057	3.3
159.11685	34.4
161.13269	24.3
163.14798	18.3
169.10176	7.6
171.11688	13.4
173.13290	20.3
175.14842	27.4
177.16376	20.9
180.39946	2.3
183.11716	4.4
185.13217	14.8
187.14809	19.5
189.16396	14.8
191.12131	2.4
193.15915	2.5
197.13197	4.8
199.14890	7.6
201.16362	17.7
203.17928	10.3
211.14893	3.4
213.16483	7.2
215.17944	14.9
216.18533	2.6
217.19539	4.9
225.16463	2.5
227.18022	9.2
228.18610	2.8
229.19496	13.3
231.21129	2.7
243.21031	4.9
255.21196	3.3
257.22699	4.1
269.22739	5.4
283.16922	3.4
283.24414	6.7
367.30093	6.5
405.35178	21.9
406.35657	3.9
423.36371	100.0
424.36630	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36973	7.1
57.29674	6.0
57.48061	6.8
58.90792	6.2
60.04956	6.6
68.99803	6.9
69.03425	6.6
69.71630	24.8
85.02916	21.7
91.05497	14.3
98.22701	7.9
103.05495	8.0
109.06499	6.1
121.06512	27.3
131.04893	17.4
132.00542	6.6
133.02879	26.0
137.05986	17.9
139.03949	15.7
147.04454	7.3
149.05986	33.7
159.04395	13.3
165.05405	32.6
167.07030	65.5
177.05476	100.0
191.07043	7.6
197.08086	60.3
209.08080	95.0
227.09184	42.0
299.05698	9.6
404.77051	7.9
407.07513	9.1
425.08478	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	8.6
67.05485	10.3
69.03431	12.9
69.07066	41.5
71.29028	5.1
71.29405	4.2
75.28372	3.7
79.05478	5.5
81.07051	12.2
85.02903	8.3
93.07066	16.1
95.04964	13.4
95.08624	7.4
97.02904	9.2
97.06554	11.4
99.04482	4.4
105.07034	12.0
107.08607	25.9
109.06551	6.9
111.11729	14.1
113.06034	7.1
114.53163	4.1
118.81306	3.5
119.08604	5.3
121.02914	4.2
121.09405	3.7
121.10124	22.4
123.04438	7.5
123.08100	5.2
127.83150	4.4
135.11732	11.9
145.10126	12.7
151.03934	8.1
162.05508	7.5
163.11176	24.2
167.10742	9.1
169.08612	41.6
181.12267	16.2
185.11790	4.9
191.10672	6.1
209.11748	14.5
209.15375	53.6
227.12785	100.0
227.16495	11.7
228.13171	9.0
251.43124	4.5
277.78156	4.2
303.08554	8.0
323.05325	20.3
380.11795	5.9
416.73962	5.6
424.11081	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54790	3.3
62.35432	3.5
66.24269	3.4
66.90398	3.5
67.05513	12.4
69.03455	4.9
69.14565	3.4
71.33443	4.1
78.48952	3.6
79.05503	7.5
81.07070	6.4
91.05505	5.4
93.07059	19.2
95.04954	21.4
97.07506	3.8
105.07046	11.9
107.08586	23.4
109.06518	4.4
119.08575	10.7
121.06489	5.8
121.10139	32.2
123.04398	9.1
135.08051	7.0
135.11714	6.9
137.05981	25.2
138.06319	10.6
144.83859	4.0
145.10147	16.8
147.11720	4.0
151.03899	5.6
151.07579	9.5
152.07903	8.4
161.05977	8.8
163.11179	40.3
167.10628	3.8
169.08662	3.9
181.12273	28.5
191.10727	16.4
209.11760	15.0
227.12781	100.0
228.13158	7.4
230.72575	3.5
245.04556	8.0
257.04340	4.5
287.05566	19.9
331.29239	4.0
424.20251	5.1
425.08551	5.9
425.17456	8.8
431.35980	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03984	5.4
50.93974	4.9
60.90424	5.2
68.99780	15.8
69.03406	10.5
70.06591	8.4
71.29468	10.2
81.07095	8.3
83.04981	7.2
85.02911	8.3
91.05497	6.3
93.07042	8.0
95.04963	24.4
98.97614	6.3
105.07033	10.0
107.04974	8.0
107.08602	12.2
108.32291	6.0
109.06501	7.3
109.10136	6.3
111.00835	14.4
119.04948	10.3
119.08604	5.1
121.10141	11.4
123.04447	25.1
124.17002	5.0
127.03969	10.2
130.50572	6.0
133.10138	7.6
135.04413	21.6
137.02295	8.7
145.10114	7.1
147.04420	36.3
163.03891	11.0
167.14304	5.3
177.05501	13.4
179.03391	15.7
182.06845	6.5
189.05444	5.5
191.03487	5.7
201.05412	6.4
201.84192	5.3
203.03391	19.7
209.11714	6.4
209.15359	21.9
229.04997	11.4
245.04437	100.0
250.54799	5.7
257.04404	19.2
262.10751	20.0
263.05484	11.9
271.06064	5.3
273.03922	7.4
287.05460	10.8
323.05429	8.9
379.08118	21.3
389.06848	5.6
407.07483	45.7
424.07007	6.7
424.19638	16.3
425.08234	23.6
425.18268	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05225	20.3
55.05507	34.6
60.82134	23.0
65.89899	21.9
70.92413	37.4
77.22861	20.9
91.03895	21.2
109.10144	34.3
133.10182	23.0
209.15388	67.5
263.13980	34.2
299.05679	30.7
425.08786	32.0
425.18002	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	2.1
56.96571	10.4
57.03424	2.4
67.05506	2.8
69.03411	10.9
70.57868	4.2
79.05462	2.4
81.03410	2.2
81.07073	4.5
83.04993	5.2
84.96045	3.4
85.02904	6.0
91.05472	2.2
93.07014	3.7
95.04974	4.7
95.08610	4.1
97.02878	3.9
97.06535	6.1
98.97589	18.0
99.04459	3.8
105.07028	5.2
107.08602	3.9
108.54650	1.9
109.02911	4.8
109.06548	6.0
110.97551	12.1
112.99194	3.9
116.98616	4.7
119.08595	6.2
119.46029	1.9
121.06461	3.7
123.04417	5.1
123.08078	15.0
125.06084	2.3
127.03933	4.8
128.98616	12.9
131.08598	6.2
133.10132	3.6
135.08032	18.3
137.06046	3.7
139.00682	2.3
143.00192	3.3
143.08560	2.9
145.10144	2.8
146.99614	2.7
147.08060	4.1
149.09636	4.3
157.06546	2.7
158.35487	2.0
158.99576	2.8
159.08066	4.8
159.11693	4.2
161.09666	4.6
163.07562	2.1
165.09108	28.3
167.06998	2.2
171.11728	3.1
173.09550	3.9
175.07578	4.6
175.11206	3.6
179.03741	8.8
187.11212	7.8
191.06990	2.4
197.04907	7.9
199.11201	6.8
203.10539	9.8
205.08553	4.6
212.44699	1.9
215.05911	4.2
215.10652	8.2
217.12289	5.8
219.01727	18.5
220.66718	1.8
221.04834	5.3
223.06516	3.3
227.10736	3.5
233.11574	9.5
235.13170	2.4
237.02823	21.6
241.07632	2.4
245.04459	3.8
245.11716	16.6
246.11841	2.1
263.06085	3.3
263.09045	14.4
263.12662	13.5
264.12286	2.6
281.03448	2.9
281.10443	2.1
287.05389	2.3
299.04489	5.7
339.65906	1.9
365.09088	27.8
407.07751	2.8
407.16794	3.1
425.08362	45.3
425.15344	100.0
426.15729	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99861	1.3
59.41699	0.8
62.21478	0.8
70.99852	2.4
71.28529	1.3
71.28893	1.1
77.00916	2.9
79.55447	0.9
82.99890	2.8
85.23930	0.8
85.98687	0.7
89.00900	4.8
95.01933	1.1
97.02910	1.4
101.00877	19.9
101.95441	0.8
113.00835	4.6
115.02467	2.1
119.01913	21.0
120.02039	1.0
127.02392	4.1
131.01895	9.4
135.01360	1.8
139.02385	5.8
143.01892	26.1
143.03006	1.5
144.02072	1.0
145.03448	14.6
149.02971	1.0
155.01894	13.3
157.03481	21.2
158.03650	1.0
159.01404	1.6
161.02950	37.2
163.04504	1.4
167.01907	7.0
169.03493	3.4
171.04999	1.8
173.02972	16.7
174.03087	1.3
175.04567	2.4
179.01917	2.3
185.01299	1.5
185.02956	29.6
186.03073	1.6
187.04541	3.1
191.04042	2.5
197.02957	7.4
203.04001	22.6
209.02986	0.8
215.03998	4.0
221.05061	32.9
222.05244	2.4
227.03999	4.1
239.06108	28.1
240.06334	2.9
245.05072	57.0
246.05278	5.2
257.05109	3.3
263.06116	100.0
264.06290	6.9
275.06107	91.7
276.06320	7.7
277.07693	1.7
281.07233	2.0
287.06070	1.1
293.07184	2.2
299.06113	1.1
303.08093	0.8
305.07178	12.7
306.07394	1.7
307.08719	1.8
335.08292	2.9
347.08514	1.1
354.76465	0.9
365.09375	11.3
383.10251	3.8
425.06839	2.6
425.11435	31.5
425.17700	8.2
426.11716	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
53.70998	0.2
55.05511	74.0
56.05844	1.3
67.05508	0.3
69.42173	1.0
79.05489	0.3
81.07053	0.6
83.04980	100.0
84.05305	1.7
91.05503	0.3
93.07047	0.7
95.08598	0.6
97.71397	0.2
99.23617	0.2
99.48905	0.2
105.07037	0.6
107.08589	0.5
109.10107	0.2
119.08604	0.7
120.32953	0.2
121.06493	0.3
130.80515	0.2
131.08571	0.7
133.10152	0.5
143.08551	0.6
145.10080	0.7
157.10123	0.4
159.11700	0.2
161.09610	0.4
169.10184	0.3
171.11705	0.5
173.09659	0.2
183.11589	0.3
185.13240	0.4
187.11256	0.2
197.09746	0.2
197.13307	0.3
206.10847	0.7
211.03816	0.2
211.14839	0.3
212.04630	0.3
213.05409	0.4
213.12579	0.3
221.13232	0.3
231.13754	0.4
233.09567	0.2
239.03316	0.7
239.14359	0.2
240.04059	0.9
241.04857	0.5
249.16225	0.3
251.03314	0.5
252.04192	0.4
253.04828	0.4
253.08650	0.2
254.05344	0.3
259.11264	0.3
265.15970	0.2
266.05560	0.3
267.02905	0.4
267.06363	0.7
267.17322	0.3
268.03568	1.1
268.07162	0.4
269.04532	1.1
269.07013	0.2
281.08026	0.4
282.05350	1.3
283.06076	1.3
283.09091	0.3
284.06668	0.6
285.18481	0.5
296.03043	0.7
297.07568	3.9
298.08115	0.5
299.08957	0.6
311.05322	1.1
311.09052	0.6
312.06052	0.6
315.08469	0.3
325.07007	0.4
326.11224	0.3
329.18839	0.3
343.08121	5.0
343.11771	0.4
344.08328	0.2
379.25757	0.2
389.24384	0.5
407.25162	0.3
425.12067	2.1
425.24725	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.3
55.05513	68.4
55.25813	0.4
56.05843	1.3
67.05512	0.5
68.89662	0.4
69.11876	3.0
72.24342	0.5
74.64857	0.4
76.99034	0.4
81.07025	0.7
83.04982	100.0
84.05317	1.4
93.07031	0.7
95.04947	0.5
95.08606	1.1
100.07243	0.4
111.08113	0.4
119.08587	0.9
123.08068	0.5
131.08569	0.5
133.10129	0.7
134.10562	0.5
135.08014	0.6
143.08546	0.8
145.10088	0.5
147.08015	0.5
157.10068	0.6
158.33810	0.4
161.09637	0.6
181.10048	0.5
187.11099	0.6
201.12630	0.8
211.11122	0.9
211.14795	0.5
212.04524	0.4
213.05334	0.6
213.12772	0.8
225.12775	0.6
234.14459	0.5
239.03375	0.8
240.04059	0.8
249.16273	0.4
251.03270	0.5
252.04164	0.5
268.03577	1.1
269.04343	0.7
282.05154	1.8
283.05927	1.7
296.03015	1.1
297.07556	4.0
299.08975	0.9
311.05273	1.6
311.08609	0.5
343.08218	4.5
365.24612	0.5
383.25494	1.1
389.24484	0.7
407.25845	4.8
408.26025	0.5
425.12320	2.7
425.26138	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56007	0.4
52.49362	0.4
53.03948	2.7
55.01875	1.0
55.05513	74.8
56.05848	1.3
65.03945	0.6
67.05506	3.2
69.03430	0.6
69.07072	1.6
75.90204	0.4
79.05484	2.2
81.07062	4.9
83.04983	100.0
84.05318	1.6
91.05477	3.8
92.82225	0.4
93.07049	5.7
93.90878	0.3
95.04974	1.2
95.08607	5.8
100.75529	0.4
103.05490	0.5
105.07030	3.8
107.05003	0.5
107.08588	3.5
109.06544	0.8
109.10151	3.3
111.04456	0.9
111.08084	1.3
117.06991	1.2
119.08591	3.6
121.06527	1.0
121.10126	2.6
122.03709	0.8
123.08074	1.1
123.11707	1.2
128.06186	0.7
129.06981	0.9
131.08559	1.8
133.06497	1.5
133.10114	2.9
135.11662	1.8
137.05974	9.5
137.09602	0.5
139.07512	1.6
140.90981	0.4
141.06914	0.7
142.07817	0.9
143.08575	2.3
145.10138	2.8
146.10439	0.5
147.08067	1.0
147.11665	1.2
149.05981	1.2
151.07576	1.1
155.08534	1.6
156.09322	0.5
157.10114	2.0
159.08058	0.9
159.11684	1.7
161.05933	0.6
165.05524	0.5
165.07014	0.6
167.07047	16.9
169.10112	1.6
171.11702	1.3
173.09544	1.2
173.13106	0.8
175.11208	2.4
175.14883	0.5
177.09055	0.4
180.09361	0.5
181.10040	0.7
183.11688	1.4
185.09615	1.2
185.13228	0.9
187.11124	0.8
189.09106	0.9
189.12794	0.7
190.06265	0.6
191.10698	0.5
193.10097	0.8
195.11659	0.9
196.12367	0.5
197.09561	0.6
197.13240	1.2
199.11156	1.0
201.09142	0.6
201.12617	0.5
203.10687	0.8
205.12250	0.6
206.10944	0.4
207.11748	1.0
207.13762	1.1
209.09598	0.4
209.13199	0.9
212.04599	0.5
213.12967	0.5
215.10629	0.7
217.12285	0.7
219.11736	0.7
221.13232	0.6
223.14795	0.7
225.12700	1.4
227.10669	0.7
229.12268	0.7
229.24367	0.4
232.10902	0.6
235.14673	0.5
237.12732	0.7
239.03316	0.6
239.14206	1.0
240.04189	0.7
249.12793	0.7
251.14328	0.5
252.04102	0.6
253.05042	0.5
265.15775	0.6
267.06522	0.5
267.13794	1.2
268.03595	1.1
268.07260	0.5
269.04352	1.0
282.05167	1.6
283.05881	1.5
284.06738	0.6
285.18491	2.3
293.15298	0.6
296.02985	0.9
297.07578	3.4
299.08972	0.6
311.05383	1.1
312.05969	0.8
343.08194	5.1
379.22446	1.4
407.22043	1.4
407.26321	0.6
424.25687	0.7
425.12003	1.9
425.23566	4.3
446.68289	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	0.4
69.55568	1.7
85.70842	0.3
95.04942	0.4
95.74462	0.3
98.22647	0.4
117.15460	0.3
123.04395	0.3
123.08072	0.8
123.35016	0.3
126.96545	0.3
131.08589	0.4
133.10165	0.4
135.04425	0.6
135.08093	0.4
147.04436	0.6
159.11691	0.3
163.03844	0.4
165.09131	1.1
169.27428	0.3
203.03462	0.5
203.05292	0.8
203.10654	0.4
217.12245	0.3
245.04477	1.1
245.11743	0.7
257.04541	0.4
259.07846	0.5
263.05835	0.3
263.08893	2.1
263.12775	0.6
287.05405	0.5
293.09915	1.9
311.09683	0.4
407.07404	0.6
425.14093	100.0
426.14468	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1415
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
70.88330	1.4
80.04714	0.5
81.60393	0.6
147.04282	0.6
185.87985	0.6
245.04396	1.4
263.08856	1.0
270.85901	0.5
293.09872	1.2
354.53452	0.6
373.92010	0.5
406.14999	0.6
407.07373	1.0
425.14133	100.0
426.14450	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	13.3
57.03422	2.1
62.00504	1.7
67.05524	2.8
69.03423	8.3
70.66645	4.5
74.27792	2.2
78.34164	1.7
79.05511	2.8
81.07051	3.1
83.05007	2.9
84.96049	2.9
85.02890	4.5
91.05508	4.5
93.07057	3.7
95.04958	3.7
95.08632	2.2
97.02905	3.1
97.06574	3.9
98.97591	16.0
99.04446	2.1
105.07099	2.3
107.08615	3.3
109.06501	3.2
110.97601	8.2
112.99115	3.3
115.00749	4.3
116.98579	5.1
119.08615	4.9
121.06521	3.6
123.04455	2.4
123.08062	11.7
128.98605	7.3
129.07083	1.8
131.00177	2.8
131.08589	4.3
135.08061	8.8
143.00180	3.2
146.99715	2.9
156.09383	2.4
157.01788	2.8
158.99690	3.5
159.08040	5.8
159.11664	3.6
161.09552	3.0
165.09149	15.2
170.99637	3.0
179.03738	8.1
187.11163	6.1
196.67584	1.8
197.04846	10.2
199.11169	5.9
201.00854	2.6
203.10670	6.4
205.08577	3.0
215.05962	4.7
215.10701	5.9
217.12234	5.3
219.01785	17.1
221.04800	5.0
223.06367	4.2
227.10751	3.1
233.11716	6.9
235.13402	2.1
237.02815	21.8
239.06107	2.5
241.07491	2.1
245.11723	11.9
257.04449	3.4
263.08862	15.2
263.12891	7.5
263.62509	2.1
264.12436	2.9
299.04382	3.6
365.09052	31.9
389.42383	2.0
407.07758	3.7
425.08334	32.8
425.15417	100.0
426.09079	3.8
426.15482	10.2
438.70767	2.0
443.15509	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.05511	84.5
56.05858	1.2
69.19119	1.8
70.72872	0.2
81.07063	0.4
83.04981	100.0
84.05312	2.2
91.05483	0.3
93.07031	0.3
95.08611	0.5
98.22672	0.5
105.07024	0.4
111.04396	0.2
123.11701	0.2
129.42461	0.2
132.13802	0.2
133.10094	0.3
135.07956	0.3
143.08607	0.2
145.10172	0.3
161.09705	0.2
165.07021	0.5
167.08531	0.4
171.11717	0.2
179.08542	0.3
181.06538	0.2
182.07249	1.8
183.07634	0.3
187.11104	0.2
195.08015	0.5
197.09595	1.1
199.03870	0.2
210.06747	2.4
211.07320	0.3
213.12718	0.2
222.06769	0.3
223.07455	0.5
224.08176	0.3
225.05457	0.5
225.09070	3.8
226.06190	0.2
226.09415	0.3
227.06827	0.4
227.10674	0.2
228.84613	0.2
235.07628	0.3
237.05521	0.3
238.06253	1.7
239.06949	0.4
240.07747	0.8
242.09348	0.3
250.06409	0.2
251.07115	0.4
252.07744	0.6
253.04826	0.4
253.08574	3.4
254.09045	0.4
255.06544	0.4
255.10135	0.6
265.04776	0.3
266.05652	0.7
267.06497	0.5
267.17346	0.3
268.07227	0.6
270.08728	0.2
279.06461	0.4
280.07285	0.6
281.08078	11.2
282.08505	1.0
283.06485	0.2
283.09476	1.0
285.07474	0.5
285.10733	0.3
296.06598	0.4
297.07507	0.5
311.09100	5.6
312.06308	0.3
312.09494	1.1
313.07068	0.4
313.10495	0.7
319.09381	0.3
326.11411	0.3
328.09354	1.5
329.09796	0.3
334.12009	0.3
335.12662	0.5
341.10251	0.3
342.11151	0.4
343.11758	13.1
344.12061	1.2
365.13617	0.4
393.13269	1.5
407.25708	1.0
425.15723	0.4
425.26364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1783
Annotation	GlcNAcbeta1-6GalNAcalpha
Peak:m/z	Relative Intensity
61.79033	0.3
69.30760	1.9
70.06591	0.3
74.20804	0.3
81.03395	0.3
95.01084	0.5
98.23331	0.4
113.02183	0.4
122.47382	0.4
123.04401	0.9
139.03964	0.5
147.08060	0.3
151.03958	0.4
163.03969	0.4
170.83969	0.4
170.85635	0.4
180.31398	0.3
185.04257	1.1
189.05246	1.2
201.03676	0.5
203.03500	0.5
204.07597	3.1
204.70271	0.4
205.08331	0.6
229.05000	0.5
243.08388	1.9
245.04454	2.0
245.11800	0.4
257.04343	1.5
263.12683	1.2
287.05627	0.7
299.05655	0.7
379.07785	0.4
407.07507	0.8
425.17816	100.0
426.18146	8.5
443.16168	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01861	3.2
55.05506	2.0
62.16175	1.0
65.20324	1.1
67.05495	7.9
69.03419	1.6
69.07059	3.5
71.31476	1.0
79.05488	7.5
80.17114	1.0
81.03435	2.4
81.07047	11.1
83.04974	4.4
91.05473	7.8
91.54174	0.9
93.07040	12.2
93.64268	1.0
95.04955	4.5
95.08593	11.2
97.02878	2.0
97.06516	2.4
98.97480	1.1
103.38766	1.0
105.07015	10.5
107.04958	4.9
107.08565	8.7
109.00105	1.2
109.02873	6.9
109.06522	2.5
109.10167	5.1
111.04444	2.6
111.08076	2.9
115.05481	1.2
117.07026	4.3
119.04948	5.4
119.08587	6.9
121.06492	6.0
121.10166	3.5
123.04429	72.9
123.08061	3.8
123.11705	7.7
124.04760	1.2
125.05985	1.4
127.03858	1.2
128.06212	1.7
129.07004	3.9
131.08574	5.1
133.06581	1.0
133.10165	5.2
135.04427	10.5
135.08026	2.6
135.11711	3.8
137.05963	5.7
139.03882	9.8
139.07510	1.3
141.06923	2.7
141.09088	1.2
142.07768	1.5
143.08568	9.5
145.06517	1.6
145.10101	10.6
147.04398	17.0
147.08063	1.2
147.11674	1.8
149.05911	1.7
149.09586	2.2
151.02687	2.2
151.03900	38.5
151.05089	2.4
153.05460	4.5
153.07014	1.2
155.08539	4.7
156.09308	3.3
157.10118	9.7
159.11732	6.5
161.05972	5.0
161.09630	2.9
163.03963	5.2
163.07526	4.5
165.05496	13.8
167.08438	1.2
169.04944	4.7
169.06358	1.7
169.10127	6.2
170.10861	1.3
171.08109	1.7
171.11687	12.1
173.06013	3.6
173.09613	1.8
175.03847	2.6
179.03394	1.5
179.07042	3.4
181.04996	4.8
181.10112	2.7
183.02873	1.4
183.08150	2.0
183.11685	6.7
185.09622	2.4
185.13239	6.4
187.07474	2.0
189.05443	2.6
189.09050	1.5
189.12804	1.6
191.07008	8.4
193.04962	16.8
193.08524	1.5
195.11690	2.0
197.05988	2.0
197.13222	4.0
199.07423	1.2
199.14877	1.2
201.12749	2.1
205.08607	3.9
205.12144	1.6
207.06541	6.7
207.11681	1.6
209.13205	2.9
211.07623	1.4
211.11168	1.8
211.14799	3.0
213.12778	3.2
215.07050	3.7
217.08556	3.3
219.13782	2.5
223.14751	2.6
225.12834	1.8
225.16446	2.4
229.12193	1.2
231.13780	4.0
239.07037	1.6
239.14203	1.4
243.06476	1.8
245.15335	2.2
247.16968	2.3
249.16356	2.6
255.13821	3.3
257.15430	1.7
265.15891	1.3
267.17438	3.6
273.14844	19.6
274.15027	1.9
285.07529	8.1
285.18494	12.0
293.18875	1.2
303.08609	100.0
304.09021	8.5
326.22461	1.5
343.11554	1.5
379.26590	2.9
389.24780	4.2
407.25763	4.7
425.14902	1.3
425.19440	2.3
425.26440	31.9
426.26886	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2319
Annotation	Adunctin E
Peak:m/z	Relative Intensity
51.02367	0.4
53.03931	1.5
55.01858	1.1
55.05503	2.1
57.03432	0.8
65.03929	0.9
67.05500	4.1
67.74310	0.3
69.03430	2.2
69.07054	1.1
70.47726	1.0
71.04984	2.9
77.03918	0.7
79.05487	6.4
81.03419	1.5
81.07047	11.8
82.07362	0.4
83.04969	1.1
83.08606	0.5
83.70361	0.3
91.05474	13.2
92.05801	0.5
93.06465	0.7
93.07040	10.6
94.07348	0.4
95.04964	15.6
95.08599	7.2
96.05289	0.3
97.02882	3.8
97.06537	1.9
99.04451	10.0
100.04762	0.3
103.05460	0.9
105.04535	0.8
105.07024	10.2
106.04770	0.3
107.04944	1.3
107.07872	0.5
107.08592	8.2
109.02862	0.7
109.06512	27.0
109.10148	3.3
110.06796	0.4
111.04417	1.0
111.08095	1.5
115.05447	1.5
116.06284	0.5
117.07013	4.4
118.65952	0.3
119.04923	0.6
119.08575	9.2
121.06497	14.3
121.10126	4.3
123.04434	0.7
123.08062	18.1
124.08332	0.5
125.05996	0.8
127.03906	1.2
128.06230	1.9
129.07002	4.9
130.07759	0.8
131.05907	0.4
131.08559	9.5
132.05736	0.5
133.06488	4.6
133.10129	4.9
135.04416	0.4
135.08023	4.8
135.11711	1.7
137.05968	10.4
137.09596	2.6
139.07561	0.9
141.06984	2.6
142.07767	3.1
143.08560	7.5
144.09268	1.0
145.06470	5.5
145.10114	5.8
146.07216	0.6
147.08032	10.0
147.11653	2.6
149.05943	0.4
149.09601	3.5
151.07542	1.2
151.11147	0.5
152.06250	0.5
153.06975	1.2
154.07742	1.0
155.08540	3.9
156.09341	1.9
157.06476	0.7
157.10106	7.7
158.10803	0.4
159.08047	13.1
159.11674	9.7
160.08688	1.0
161.09604	12.4
161.13206	0.6
162.10246	0.8
163.07536	0.5
163.11177	1.7
165.06952	2.2
165.09125	1.0
166.07855	0.8
167.08539	2.7
168.09326	1.5
169.06378	0.4
169.10123	6.9
170.10860	1.1
171.08073	1.6
171.11687	5.8
173.09616	8.9
173.13222	1.8
174.10229	0.5
175.07677	0.4
175.11174	13.5
176.11484	0.6
177.09106	0.4
177.12779	0.7
178.07770	0.5
179.08549	2.4
180.09283	0.9
181.10101	5.6
182.10843	1.7
183.08044	1.5
183.11655	4.0
184.08856	0.6
184.12398	0.7
185.09598	2.9
185.13229	2.4
186.10121	0.5
187.11151	3.4
187.14729	0.3
189.09134	0.5
189.12746	1.5
191.08592	0.6
191.10626	0.8
192.09328	1.2
193.10100	3.6
194.10880	1.3
195.08052	1.0
195.11678	4.7
196.08740	0.5
196.12459	0.7
197.09599	3.0
197.11139	0.3
197.11720	0.4
197.13213	2.9
198.10414	0.6
198.13705	0.4
199.11163	3.6
199.14763	1.1
200.11813	0.6
201.09052	0.5
201.12680	1.0
203.08548	0.8
203.10567	0.7
204.09377	0.7
205.10100	1.3
205.11871	0.4
206.10846	0.8
207.10062	0.5
207.11697	3.3
208.12437	1.4
209.09641	1.4
209.13239	6.3
210.10431	0.5
210.13863	1.2
211.11215	3.2
211.14696	1.1
212.11874	0.7
213.09068	0.5
213.12755	2.4
213.16321	0.6
215.10672	0.5
215.14308	0.9
216.09290	0.4
217.10233	0.7
217.12097	0.8
218.10915	1.2
219.11705	1.6
220.12427	0.9
221.09721	0.7
221.13226	2.6
222.10263	0.6
222.14009	0.6
223.11337	2.1
223.14789	3.5
225.12715	2.8
225.16405	0.9
226.13364	0.6
227.14256	2.6
229.12227	0.7
229.15991	0.5
231.11687	0.8
232.12357	0.5
233.09720	0.5
233.13300	3.6
234.10420	0.6
234.13901	1.0
235.11142	0.9
235.14888	2.5
236.11937	1.7
236.15552	0.4
237.12759	2.1
237.16299	2.5
238.17036	0.7
239.14398	1.6
239.17920	1.4
241.15802	2.8
243.13893	0.4
245.15454	0.4
246.13924	0.6
247.14993	0.6
248.15611	0.5
249.12778	1.2
249.16406	1.1
250.13385	0.8
251.14308	13.5
252.15016	3.6
253.15834	6.2
253.19611	1.4
254.16170	0.5
255.13774	0.9
255.17409	0.4
257.19141	0.5
259.14883	0.6
259.88318	0.3
261.12717	0.9
261.16418	0.9
263.14468	1.0
263.17978	2.2
265.15881	1.3
266.16351	0.5
267.13782	0.9
267.17441	0.7
269.15356	7.3
270.15936	1.0
271.17096	0.6
271.20496	0.6
273.14944	0.5
273.16318	0.4
275.14291	0.6
277.15848	1.7
279.14203	0.6
279.17392	4.3
280.18097	3.1
281.18964	11.0
282.19373	0.9
283.17145	0.4
285.14984	1.0
285.18433	0.5
289.14563	0.5
291.17426	1.6
292.18149	1.4
293.15384	0.5
297.14841	1.0
297.18478	1.5
299.20056	2.4
307.17017	0.5
309.18481	6.0
310.19012	0.9
313.15518	0.5
327.19553	8.0
328.19775	0.5
333.18393	0.5
343.20529	0.8
361.21713	0.8
365.21100	0.8
371.20163	1.3
379.22656	0.9
383.22211	1.1
389.21033	3.8
407.22150	32.0
408.22424	3.4
425.23181	100.0
426.23492	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.7
55.01870	4.6
57.03439	16.4
61.02924	11.3
69.03431	28.0
69.07061	2.0
69.19435	10.3
69.19847	4.8
71.01342	4.4
71.08627	2.5
73.02914	26.8
81.03425	5.0
81.07047	3.3
83.55586	1.6
85.02905	100.0
87.04455	2.8
91.03954	5.0
95.08598	2.4
97.02889	33.9
98.23377	3.0
99.04459	5.0
103.04009	2.9
107.08548	1.8
109.02870	8.6
115.03930	10.6
119.08564	2.3
121.10197	1.8
123.04459	1.8
127.03915	21.8
133.04970	23.7
138.37813	1.5
143.37343	1.6
145.04959	37.3
163.06049	12.0
223.05995	2.8
296.38904	1.7
385.51843	1.7
425.26593	5.5
427.26941	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.7
55.01870	4.6
57.03439	16.4
61.02924	11.3
69.03431	28.0
69.07061	2.0
69.19435	10.3
69.19847	4.8
71.01342	4.4
71.08627	2.5
73.02914	26.8
81.03425	5.0
81.07047	3.3
83.55586	1.6
85.02905	100.0
87.04455	2.8
91.03954	5.0
95.08598	2.4
97.02889	33.9
98.23377	3.0
99.04459	5.0
103.04009	2.9
107.08548	1.8
109.02870	8.6
115.03930	10.6
119.08564	2.3
121.10197	1.8
123.04459	1.8
127.03915	21.8
133.04970	23.7
138.37813	1.5
143.37343	1.6
145.04959	37.3
163.06049	12.0
223.05995	2.8
296.38904	1.7
385.51843	1.7
425.26593	5.5
427.26941	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01874	1.1
55.05511	5.0
57.03425	0.2
59.04992	0.2
65.03931	0.7
67.05502	5.4
68.05827	0.4
69.03432	1.7
69.07070	2.1
69.73457	1.0
71.02303	0.2
71.05003	0.3
77.03934	0.2
79.05492	4.1
80.05839	0.2
81.07053	5.6
82.07392	0.3
83.04979	13.3
83.08607	0.6
84.05295	0.3
85.06535	0.4
89.37631	0.2
91.05479	5.8
92.05775	0.4
93.07041	7.1
94.07348	0.4
95.04968	2.6
95.08607	9.0
96.08960	0.9
96.98145	0.2
97.06526	2.0
97.10165	0.3
103.05458	0.7
105.03394	0.2
105.04572	0.3
105.07025	9.0
106.07366	0.8
107.04960	0.9
107.08594	7.1
108.05718	0.3
108.08905	0.5
109.06509	1.9
109.10146	2.8
110.10485	0.4
111.04419	0.6
111.08105	1.4
115.05427	0.9
116.06227	0.4
117.07014	2.4
119.04916	0.2
119.08581	7.5
120.08896	0.8
121.06503	3.4
121.10142	3.4
122.10436	0.3
123.08067	6.1
123.08926	0.4
123.11707	1.2
124.08392	0.2
125.09622	1.0
128.06192	1.7
129.07013	2.6
130.07759	0.7
131.05013	0.2
131.08575	4.4
132.08919	0.2
133.06505	0.9
133.07446	0.2
133.10127	5.2
133.81854	0.2
134.10460	0.6
135.08057	4.6
135.11673	1.7
137.06010	0.3
137.09622	0.6
137.13237	0.2
139.07532	0.4
141.06992	1.7
141.09073	0.4
142.07785	2.3
143.08560	4.9
144.09225	0.8
145.06483	1.1
145.10127	5.0
146.07268	0.7
146.10504	0.5
147.08054	3.1
147.11668	2.5
148.08362	0.2
148.11971	0.3
149.09564	1.7
149.13287	0.5
152.06215	0.4
153.06963	1.3
154.07794	1.3
155.06039	0.2
155.08553	3.8
156.09335	1.9
157.06490	1.0
157.10130	5.9
158.07271	0.4
158.10611	0.6
159.08051	2.6
159.11700	3.0
160.08781	0.6
160.12079	0.3
161.09627	5.4
161.13237	1.6
162.09901	0.2
163.11195	2.2
165.06970	2.9
166.07793	1.5
167.08537	2.3
168.09337	0.9
169.06442	0.5
169.10123	4.5
170.10818	0.6
171.08058	1.2
171.11684	2.9
172.08846	0.5
172.12166	0.4
173.09625	2.3
173.13272	1.5
173.44695	0.2
174.10315	0.5
174.13660	0.3
175.11168	3.2
175.14838	0.3
177.12756	0.5
178.07738	1.6
179.08557	4.4
180.09322	1.6
181.06508	0.6
181.10120	3.4
182.07291	0.7
182.10881	1.0
183.08095	1.3
183.11681	2.8
184.08812	0.4
184.12016	0.5
185.09627	1.5
185.13249	1.9
186.13615	0.2
187.11166	2.6
187.14856	0.6
189.06958	0.6
189.12730	3.1
189.16338	0.5
190.07764	0.6
190.13353	0.2
190.16682	0.3
191.08585	1.6
192.09354	2.7
193.10143	4.4
194.10867	1.7
195.08037	2.3
195.11711	3.3
196.08835	0.5
196.12370	0.6
197.09605	4.7
197.13281	1.9
198.10182	0.5
198.13846	0.3
199.11182	2.1
199.14812	0.7
200.11707	0.3
201.12737	1.1
201.16406	0.2
202.07779	1.4
203.08560	2.9
203.14229	0.2
203.31000	0.2
204.09322	2.6
205.06512	0.3
205.10127	3.2
205.12029	0.2
206.10889	3.1
207.08061	0.6
207.11676	4.8
207.13655	0.4
208.08893	0.4
208.12366	1.2
209.09639	2.4
209.13229	2.5
210.10408	0.5
210.13853	0.3
211.11191	2.5
211.14725	1.0
212.11360	0.2
213.12674	1.2
213.16212	0.3
215.08569	2.1
215.10715	0.5
215.14323	0.5
216.09317	2.7
217.10110	4.4
217.12274	0.2
218.07425	0.3
218.10887	2.9
219.08253	1.6
219.11665	7.1
220.08743	0.8
220.12373	1.8
221.09677	1.6
221.13216	4.0
222.10339	0.8
222.13780	0.7
223.11214	2.0
223.14738	1.5
224.11714	0.5
225.12776	1.9
225.16333	0.5
226.13248	0.2
227.08580	0.8
227.14264	1.1
228.09357	1.1
229.10098	4.6
229.15782	0.5
230.10840	3.8
231.08008	0.5
231.11684	6.6
232.08810	1.2
232.12387	3.0
233.09637	2.4
233.13197	4.3
234.10420	1.8
234.13785	0.9
235.11169	3.6
235.14626	1.1
236.11777	0.8
237.12732	3.9
237.16478	0.6
238.13301	0.3
239.08568	0.9
239.14357	1.6
239.17923	0.4
240.09225	0.9
241.10089	2.6
241.15974	0.5
242.10864	2.8
243.08063	0.3
243.11668	6.2
243.14091	0.3
244.08803	0.4
244.12445	3.9
245.09608	1.8
245.13228	6.1
246.10323	1.3
246.13995	1.7
247.11197	5.4
247.14813	2.7
248.11821	1.6
248.15457	0.6
249.12729	7.0
249.16341	0.9
250.13322	1.0
251.14311	2.0
252.09200	0.3
253.10046	1.5
253.15887	0.2
254.10887	1.6
255.11647	6.0
255.14076	0.4
256.12421	4.5
257.09726	0.8
257.13208	6.8
257.15891	0.4
257.19016	0.2
258.10406	0.9
258.13992	3.7
259.11218	2.7
259.14798	4.8
259.16867	0.2
260.11951	1.5
260.15213	1.0
261.12759	4.3
261.16397	1.7
262.13385	1.1
262.17328	0.2
263.14307	5.6
263.17371	0.2
264.14844	0.6
265.12836	0.3
265.15894	1.8
265.18488	0.2
265.19531	0.2
266.10904	0.6
267.11609	1.7
267.14050	0.3
267.17453	0.4
268.12369	1.9
269.09354	0.3
269.09869	0.3
269.13220	5.8
269.16058	0.3
270.10422	0.7
270.13953	5.5
271.11243	1.9
271.14804	8.7
272.11890	1.4
272.15497	2.7
273.12753	2.7
273.16351	3.0
274.13455	1.0
274.16669	0.4
275.14304	3.7
275.17877	0.8
276.14899	0.6
277.12476	0.3
277.15842	2.8
278.16132	0.3
279.11624	0.6
279.17319	1.0
280.12411	0.5
281.13208	2.3
282.10571	0.4
282.13950	1.7
283.11145	0.8
283.14786	3.7
284.11877	1.0
284.15491	2.8
285.09610	0.2
285.12781	2.8
285.16376	11.4
286.13486	2.1
286.17075	4.4
287.11050	0.4
287.14291	3.1
287.17926	3.8
288.11996	0.2
288.15002	1.0
288.18573	0.9
289.12613	0.3
289.15826	3.1
289.19095	0.3
290.16443	0.7
291.17261	1.0
292.12482	0.3
293.13205	0.8
293.18658	0.3
294.14011	0.8
295.11456	0.3
295.14786	1.8
296.12103	0.4
296.15558	2.1
297.12753	1.3
297.16373	2.7
298.13480	0.9
298.17056	1.4
299.10947	0.3
299.14285	4.0
299.17929	1.5
300.14999	2.2
300.18460	0.5
301.15906	8.1
301.19458	1.4
302.16516	2.2
303.13910	0.5
303.17392	5.5
304.17838	0.9
305.13031	0.3
305.18939	0.5
306.13998	0.5
307.11331	0.4
307.14835	0.7
308.15601	0.8
309.12674	0.8
309.16357	1.6
310.13629	0.4
310.17047	1.0
311.14279	1.6
311.17938	5.2
311.23416	0.3
312.14966	0.8
312.18680	0.9
313.12198	0.4
313.15872	3.0
313.19516	1.2
314.13104	0.3
314.16595	2.5
314.20007	0.3
315.13681	0.5
315.17331	3.2
315.20825	0.3
316.17923	0.6
317.15317	0.9
317.18985	0.8
320.15411	0.3
321.12741	0.4
321.16400	0.8
322.13458	0.4
322.16702	0.4
323.14227	0.9
323.17938	1.2
324.15085	0.4
324.18512	0.4
325.12332	0.3
325.15808	1.4
325.19507	1.6
326.08176	0.2
326.12866	0.3
326.16544	0.8
326.20282	2.6
327.13663	0.4
327.17368	3.3
327.21051	0.7
328.14621	0.2
328.18066	0.7
328.21600	0.2
329.15494	0.7
329.18967	14.0
330.19485	1.8
331.16797	0.6
331.20505	0.3
333.16342	0.3
334.17264	0.3
335.14493	0.4
335.17871	0.8
336.15100	0.3
336.18774	0.6
337.15802	0.9
337.19571	0.7
338.16461	0.6
339.13843	0.3
339.17398	0.8
339.21216	0.5
340.18207	0.4
341.10165	0.5
341.15167	0.4
341.18988	2.0
341.22723	0.2
342.19528	0.6
343.16782	0.4
343.20566	1.8
343.25089	0.4
344.20779	0.3
347.17880	0.2
349.15747	0.4
349.19550	0.8
350.16501	0.4
350.20398	0.5
351.12534	0.4
351.17374	0.8
351.20978	0.7
352.18024	0.5
352.21738	0.4
353.15182	0.5
353.18964	1.4
353.22333	0.2
354.15765	0.3
354.19772	0.4
355.16641	1.0
355.20709	1.0
355.24805	0.4
357.18457	0.3
359.17709	0.2
362.16537	0.3
363.17404	0.5
364.17902	0.4
364.21906	0.4
365.18814	0.8
365.22806	0.7
367.16684	0.4
367.20633	2.0
368.21365	0.3
369.18048	1.5
369.22592	0.9
370.18848	0.3
371.19818	0.4
374.20447	0.3
377.18851	0.9
378.19586	0.4
379.20099	0.3
379.24228	1.9
381.13660	0.3
381.22083	0.8
382.22882	0.6
383.19165	1.3
383.24084	2.4
384.20081	0.4
389.23117	0.4
392.21323	0.8
395.20126	0.6
396.20578	0.4
397.25385	6.6
398.25644	0.8
407.23627	8.2
407.29367	0.4
408.23984	1.5
410.22501	1.1
425.24713	100.0
426.25076	14.4
426.29453	0.3
443.25873	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19453	0.3
54.01118	0.4
55.05519	0.4
63.07891	0.3
66.64434	0.3
67.05508	1.1
69.03423	0.4
69.07066	0.5
69.47625	1.1
69.48038	0.7
69.73602	0.3
79.05507	1.0
81.07066	1.5
83.04989	0.7
91.05484	0.7
93.07047	1.1
95.04958	0.5
95.08617	1.4
98.22725	0.4
105.07050	1.2
107.08600	0.9
109.06590	0.4
109.10150	0.7
117.07022	0.4
119.08600	0.9
121.10106	0.4
123.11682	0.4
129.06992	0.3
131.08600	0.4
133.10138	0.7
135.11794	0.4
137.06010	0.6
137.09659	0.5
143.08565	0.8
145.06470	0.3
145.10208	0.5
147.08099	0.6
147.11821	0.4
151.07573	0.3
155.08606	0.4
157.10126	0.6
159.08080	0.7
159.11649	0.6
161.09605	0.5
165.09111	4.0
166.09480	0.4
167.08551	0.3
169.10161	0.5
171.08139	0.4
171.11725	0.5
173.09647	0.5
175.11191	0.3
177.09097	0.4
181.10062	0.3
185.04259	0.3
185.13318	0.4
187.11351	0.5
189.09293	0.4
199.11212	0.4
203.05269	29.3
204.05637	0.9
209.13396	0.4
211.11253	0.3
239.10278	0.3
259.22488	0.3
425.25113	100.0
426.25464	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66931	0.2
53.03948	1.0
55.01879	0.2
55.05511	16.0
57.07097	0.2
58.78195	0.2
60.65817	0.2
60.98631	0.2
64.89043	0.2
65.03912	0.3
66.64969	0.2
67.05508	2.0
69.03432	0.5
69.07069	0.9
69.39528	1.1
79.05481	1.3
81.07061	2.0
83.04981	100.0
83.08618	0.3
84.05314	2.0
91.05482	2.3
93.07044	3.1
95.04984	0.7
95.08611	4.6
97.06524	0.3
98.23290	0.4
105.03398	0.6
105.07033	3.7
107.08617	2.1
109.06525	0.8
109.10157	1.2
111.04459	0.7
111.08081	1.0
115.05418	0.3
117.07042	0.9
119.08570	3.1
121.06535	0.7
121.10165	0.8
123.08063	1.2
123.11703	0.5
125.05996	0.4
128.06252	0.7
129.07011	1.6
130.07755	0.3
131.08571	2.5
133.10153	2.0
135.08069	0.7
135.11707	0.6
137.05946	0.3
137.09651	0.3
139.07549	0.7
141.07043	0.6
141.09143	0.3
142.07780	0.8
143.08566	3.0
144.09285	0.3
145.06485	0.5
145.10117	2.9
147.08055	1.0
147.11681	1.0
149.13179	0.3
153.07002	0.3
154.07767	0.2
155.08554	1.4
156.09337	0.7
157.06447	0.4
157.10133	3.6
158.07271	0.3
158.10667	0.2
159.08031	1.0
159.11710	2.6
160.12030	0.3
161.09656	2.1
161.13219	0.4
163.11203	0.3
165.07027	0.5
167.08598	0.5
168.09398	0.4
169.10144	1.9
170.10884	0.6
171.08080	0.6
171.11684	2.0
172.08771	0.3
173.09639	1.9
173.13298	1.3
174.10043	0.3
175.11194	0.7
178.07764	0.3
179.08568	0.6
180.09262	0.3
181.10115	1.3
182.10857	0.4
183.08101	0.3
183.11708	2.2
184.12424	0.3
185.09634	0.9
185.13261	4.9
186.10396	0.3
186.13802	0.3
187.11143	1.4
187.14847	0.7
189.12790	0.8
191.10698	0.2
193.10190	0.8
195.08014	0.4
195.11703	0.9
196.12448	0.3
197.09601	0.5
197.13264	1.6
198.10524	0.2
199.11089	1.1
199.14819	0.4
201.12769	1.6
205.10139	0.3
205.12125	0.3
206.10873	1.1
207.11723	0.7
208.12396	0.2
209.09740	0.3
209.13286	1.1
210.14117	0.4
211.11217	0.8
211.14865	1.1
212.11908	0.3
213.12805	1.1
213.16408	0.5
215.14345	0.3
218.10828	0.3
219.11777	0.3
221.13277	1.1
222.13945	0.2
223.11197	0.6
223.14862	0.7
224.15503	0.3
225.12746	0.8
225.16423	0.7
226.17072	0.3
227.14337	0.9
229.12265	0.3
229.15878	0.3
231.13846	0.5
232.12337	0.4
233.13315	0.5
235.14804	0.4
237.12593	0.5
239.14296	1.2
239.18002	0.5
241.15833	0.5
245.13115	0.3
245.15460	0.3
247.16977	0.3
249.12831	0.8
249.16379	0.8
251.14398	1.0
253.15878	0.5
257.13275	0.3
259.14731	0.3
263.14438	0.3
265.15939	0.4
267.17435	1.5
269.18900	0.3
271.14838	0.4
277.15948	0.6
279.17493	0.4
281.19089	0.3
282.14041	0.3
283.16965	0.7
285.18573	0.5
293.19089	0.6
297.18509	0.4
299.20007	0.3
305.18985	0.3
307.20639	0.5
309.18497	0.4
311.20047	0.3
315.17502	0.3
323.20154	1.1
325.21631	3.2
326.21591	0.3
327.19742	0.6
329.18979	0.6
341.21155	0.3
351.19659	1.0
363.23218	0.3
365.24658	0.6
369.20526	1.5
379.26358	1.5
381.24084	0.7
389.24756	1.4
397.25650	0.4
407.25885	7.4
408.26099	0.8
425.24713	6.9
426.25671	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.05511	15.5
56.05864	0.2
57.07071	0.2
65.03944	0.3
67.05503	2.0
68.74461	0.2
69.03429	0.3
69.06741	0.2
69.07059	1.0
69.23903	0.8
69.24320	0.4
77.03951	0.2
78.48978	0.2
79.05484	1.4
79.85120	0.2
81.07058	2.1
83.04980	100.0
83.08643	0.4
84.05309	1.6
91.05479	2.3
93.07037	3.6
95.04977	0.8
95.08603	4.3
97.06542	0.3
97.58769	0.2
100.86895	0.2
103.05492	0.2
105.03391	0.6
105.07029	3.8
106.07312	0.2
107.08589	2.4
109.06534	0.8
109.10140	1.1
111.04446	1.0
111.08067	1.3
113.06026	0.3
115.05436	0.4
117.07037	1.0
119.08585	3.9
120.08891	0.2
121.06506	0.9
121.10136	1.3
123.08065	1.7
128.06189	0.8
129.07030	1.2
130.07799	0.4
131.08578	2.7
133.10136	2.5
134.10553	0.2
134.27907	0.2
135.08047	0.7
135.11674	0.5
137.05945	0.3
137.09592	0.2
137.12215	0.2
139.07559	0.8
141.07008	0.5
141.09120	0.3
142.07768	1.3
143.08556	4.2
144.09338	0.3
145.06525	0.8
145.10110	2.9
146.07254	0.3
146.10513	0.2
147.08034	0.9
147.11659	1.4
149.09554	0.4
153.06970	0.4
154.07693	0.5
155.08543	2.2
156.09349	1.0
157.06451	0.2
157.10132	3.8
158.07275	0.4
158.10757	0.3
159.08089	1.0
159.11682	3.1
160.08719	0.2
161.09633	2.4
161.13225	0.7
163.11166	0.7
165.07001	0.5
166.07709	0.3
167.08551	0.7
168.09320	0.6
169.06783	0.2
169.10126	2.9
170.10773	0.7
171.08025	0.7
171.11682	2.2
172.08897	0.3
172.12080	0.2
173.09625	2.1
173.13243	1.1
175.11179	0.9
175.14796	0.2
179.08481	0.6
180.09271	0.4
181.10161	0.9
182.10852	0.6
183.07988	0.3
183.11684	2.9
184.08757	0.2
184.12370	0.3
185.09653	0.8
185.13249	4.8
186.13742	0.2
187.07382	0.2
187.11214	1.1
187.14771	0.7
189.12685	0.7
191.08507	0.2
192.09259	0.4
193.10161	1.1
193.11641	0.3
194.10872	0.5
195.07977	0.3
195.11707	1.5
196.08798	0.3
196.12404	0.6
197.09544	0.6
197.13297	1.7
198.13718	0.2
199.11179	1.1
199.14828	1.1
200.11761	0.3
201.09143	0.2
201.12723	2.0
201.16347	0.3
203.08554	0.3
203.10524	0.3
205.10188	0.2
205.12141	0.3
206.10899	1.6
207.11781	1.1
208.12347	0.3
209.09540	0.6
209.13205	1.3
210.10406	0.3
210.13857	0.3
211.11177	1.4
211.14804	1.3
212.11859	0.3
213.12761	1.4
213.16338	0.7
215.10611	0.3
215.14273	0.3
219.11613	0.4
219.13667	0.3
220.12283	0.3
221.13214	1.5
222.10406	0.2
222.13701	0.2
223.11040	0.5
223.14786	0.9
224.15570	0.3
225.12781	1.0
225.16359	1.0
226.13171	0.2
226.17007	0.3
227.14328	1.1
227.17790	0.3
229.10036	0.3
229.12148	0.3
229.15778	0.3
230.10793	0.3
231.11627	0.3
231.13686	0.4
232.12218	0.2
233.13147	0.5
233.15276	0.2
234.13844	0.2
235.11040	0.2
235.14662	0.5
237.12651	0.6
237.16322	0.5
238.13538	0.2
239.14278	1.4
239.17825	1.0
241.15784	0.6
241.19458	0.4
245.13222	0.3
245.15416	0.2
247.14760	0.2
249.12599	0.6
249.16306	0.6
250.13292	0.3
251.14279	1.3
251.17897	0.4
253.15800	0.5
253.19402	0.2
255.13797	0.2
257.13168	0.3
259.14542	0.2
261.12531	0.2
263.14090	0.5
263.17715	0.3
265.15744	0.7
267.17447	2.1
269.13068	0.4
270.13873	0.3
271.14746	0.3
272.15439	0.2
273.12582	0.2
277.15848	0.6
279.17322	0.3
279.20779	0.2
281.18787	0.3
283.16788	0.7
285.15805	0.3
285.18643	0.3
289.15540	0.2
291.17267	0.4
293.18842	0.4
296.15579	0.2
297.18518	0.2
299.20203	0.2
301.15649	0.3
303.17340	0.3
307.17050	0.2
307.20340	0.5
308.21149	0.2
309.18491	0.2
315.17392	0.2
323.20126	1.2
325.18237	0.2
325.21680	2.7
327.19641	0.2
329.18771	0.5
341.20877	0.2
351.19589	2.0
352.19745	0.2
361.24905	0.3
365.24448	0.6
369.20715	1.7
370.20544	0.2
379.26410	1.8
380.26230	0.3
381.23804	0.6
381.28076	0.3
389.24838	1.3
397.25165	0.5
407.25879	8.1
408.25717	0.7
425.24603	7.9
426.25021	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2683
Annotation	Chabrolobenzoquinone A
Peak:m/z	Relative Intensity
53.03936	6.8
55.01868	3.2
55.05514	21.0
67.05508	26.1
69.03445	4.0
69.07062	7.1
71.04994	5.3
71.31436	4.2
79.05496	24.5
79.05941	3.6
81.07053	39.6
83.04979	46.1
83.08615	4.0
85.06524	3.2
91.05479	32.4
93.07049	53.5
95.04983	9.8
95.08604	63.7
97.06528	6.0
105.07033	54.1
107.08591	44.2
109.06524	8.9
109.10148	20.1
111.04429	16.1
111.08096	10.3
112.07449	2.8
117.06995	19.3
119.08571	52.6
121.06483	14.0
121.10162	18.8
123.08068	23.5
123.11754	5.7
125.06013	3.7
128.06264	7.9
129.07036	15.5
130.07759	4.7
131.08563	31.1
133.06517	4.8
133.10133	34.5
135.08101	10.1
135.11700	10.9
137.09628	5.0
139.07524	5.9
141.07050	8.7
141.09129	4.4
142.07780	15.4
143.08560	36.9
144.09340	4.2
145.06500	3.8
145.10123	51.2
146.10922	3.4
147.08078	11.6
147.11681	18.3
149.09682	7.6
149.13290	3.0
151.03874	3.5
154.07820	5.0
155.08574	20.6
156.09320	15.0
157.10127	72.4
158.10876	6.6
159.08051	8.1
159.11697	39.8
161.08444	3.2
161.09566	16.1
161.13301	6.8
163.07565	3.2
163.11176	6.1
165.07018	3.6
166.07799	4.4
167.08626	3.7
167.10631	6.8
169.10136	45.8
170.10774	4.4
171.11691	64.2
172.12213	5.8
173.09660	5.9
173.13286	19.0
174.13815	3.6
175.11211	10.3
177.09108	5.4
179.08611	4.2
179.10745	5.1
181.10226	10.6
182.10858	4.8
183.11703	39.8
184.12344	5.0
185.09685	7.4
185.13271	30.6
186.13644	3.2
187.11263	6.3
187.14832	7.0
189.12764	4.6
193.10265	7.3
193.12260	5.8
195.11690	19.5
196.12535	4.5
197.09668	5.2
197.13243	26.8
199.11217	7.9
199.14865	12.2
201.12753	6.3
203.14320	3.9
205.12292	9.7
206.10808	4.4
207.11714	9.1
207.13742	5.7
209.13254	14.5
211.11258	9.8
211.14777	17.8
213.12758	14.4
213.16367	6.9
217.15839	3.4
219.11813	3.6
219.13852	8.4
221.13342	7.5
222.13890	3.2
223.14784	20.2
225.12791	6.6
225.16351	15.7
227.14287	10.0
229.12285	7.8
231.13802	16.7
233.13345	4.9
233.15323	15.5
235.14722	3.1
237.16629	3.8
239.14308	10.0
239.18033	8.3
241.15907	8.1
243.13927	3.7
245.15459	10.7
247.14842	4.8
247.17073	4.0
249.16302	18.6
251.17984	7.2
253.19664	7.2
257.15381	7.3
259.17001	9.7
261.16272	4.9
265.15997	8.7
267.17416	23.1
268.18121	3.2
271.17004	6.4
275.17914	7.3
279.17487	5.7
283.17105	5.5
285.18478	68.2
286.19122	6.0
287.20346	4.6
293.19061	10.8
297.18668	7.2
297.21832	4.1
311.20145	15.5
313.21756	4.6
323.20071	3.2
325.21671	8.4
326.22327	21.6
351.23141	4.8
361.25369	7.2
365.24945	5.1
371.23764	9.3
379.26382	22.2
389.24698	33.1
407.25815	56.4
408.26227	8.8
425.15591	11.8
425.26895	100.0
426.27197	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2684
Annotation	Apo-10'-fucoxanthinal
Peak:m/z	Relative Intensity
52.42574	0.5
53.03941	2.5
55.05509	71.0
56.05843	2.3
57.07082	0.6
67.05501	4.0
69.03437	0.8
69.07066	1.7
71.25426	0.4
71.31104	0.4
71.31548	0.7
79.05479	2.9
81.07043	5.7
83.04977	100.0
83.08614	0.6
84.05299	3.2
91.05482	4.4
91.09096	0.4
93.07039	6.3
95.04967	1.9
95.08600	8.4
97.02626	0.4
97.06518	1.0
103.05486	0.7
105.07026	7.1
107.04960	0.9
107.08588	5.3
109.06532	2.7
109.10152	2.4
111.04449	1.8
111.08069	1.5
113.05969	0.6
115.05466	0.7
117.07021	1.8
119.08565	6.7
121.06482	2.5
121.10123	4.1
123.08067	4.6
123.11715	0.5
125.09605	0.6
128.06215	1.2
129.06995	1.9
130.07774	0.4
131.08560	4.3
132.09312	0.4
133.06415	0.5
133.10136	4.9
135.08058	2.7
135.11691	1.2
137.06024	0.7
137.09621	1.5
139.07492	0.9
141.06985	1.0
142.07718	1.4
143.08569	4.4
144.09282	0.6
145.06447	1.3
145.10107	5.3
146.07245	0.6
147.08063	3.3
147.11684	2.5
149.09608	0.9
155.08557	2.5
156.03911	0.5
156.09328	1.1
157.10132	4.5
158.07246	1.1
159.08073	2.4
159.11688	3.1
161.09631	5.2
161.13243	1.4
163.09787	0.4
163.11159	1.4
165.07004	0.6
166.07764	0.5
167.08479	1.2
168.09315	1.1
169.04646	0.9
169.10130	3.5
170.10846	1.9
171.08063	1.7
171.11685	3.6
172.08824	0.8
173.09613	2.7
173.13260	1.9
175.11229	2.6
175.14795	0.6
179.08559	0.9
181.06548	0.5
181.10097	1.6
182.10873	0.9
183.08031	0.7
183.11664	3.9
184.12270	0.4
185.09549	2.0
185.13261	4.1
187.11189	3.6
187.14804	0.8
189.12717	1.8
193.10193	0.9
195.11766	2.1
196.08794	0.7
196.12399	0.5
197.09586	1.4
197.13264	2.6
198.10405	0.9
199.11176	2.1
199.14777	1.4
201.12735	3.5
201.16400	0.9
203.14410	0.5
207.11690	1.7
208.12453	0.5
209.09509	0.8
209.13210	2.4
210.14163	0.6
210.48941	0.5
211.11182	4.7
211.14783	1.6
212.11974	1.0
213.12738	6.6
215.14314	1.3
216.07518	2.0
219.11613	0.4
221.13261	1.2
222.10208	0.4
223.11209	0.7
223.14809	1.7
224.15498	0.5
225.12752	2.8
225.16367	1.8
227.14233	2.8
229.15889	1.2
237.12689	1.2
237.16232	0.9
239.03360	1.2
239.14319	3.1
239.17911	1.2
240.04128	1.3
241.15756	1.2
243.17365	1.5
249.16269	1.1
251.14233	1.3
251.17975	1.0
252.15102	0.5
253.04820	0.7
253.15851	1.2
265.15854	1.1
266.16638	0.7
267.06522	0.6
267.17404	8.5
268.03607	1.3
268.07047	0.5
269.04404	0.7
269.13464	0.9
269.18826	1.2
279.17358	1.1
282.05136	1.9
283.05890	1.3
284.06586	0.7
285.18466	1.9
293.18903	1.5
295.15186	3.1
296.03055	1.0
297.07434	3.3
297.22012	0.6
299.08832	0.6
308.21036	0.5
311.05472	1.1
325.21881	0.6
327.22980	0.5
337.16031	1.6
339.19284	0.7
343.08041	5.2
344.08621	0.7
347.23587	0.6
361.25198	1.6
365.24670	2.8
371.23892	0.7
379.26190	1.9
383.25754	7.1
384.26379	0.8
389.24744	4.1
390.24884	0.5
391.24142	0.7
407.25760	33.2
408.26093	4.0
425.12137	1.5
425.26608	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.05512	15.9
56.05858	0.2
63.88291	0.1
67.05507	1.3
69.03439	0.2
69.07063	0.5
69.34334	1.0
71.66962	0.2
72.06534	0.2
79.05496	1.0
81.07044	1.3
83.04981	100.0
84.05302	1.7
91.05481	1.4
91.52426	0.1
93.07038	2.2
95.04967	0.3
95.08605	2.9
97.02957	0.2
97.06525	0.4
105.03372	0.4
105.04483	0.2
105.07024	2.5
107.08604	1.6
109.06529	0.3
109.10184	0.5
111.04450	0.7
111.08080	0.9
115.05423	0.2
116.26469	0.1
117.07035	0.7
118.61663	0.1
119.04955	0.2
119.08578	2.1
121.06517	0.5
121.10120	0.8
123.08111	0.5
128.06206	0.4
129.06993	0.7
131.07660	0.3
131.08556	1.9
133.10124	1.6
135.08054	0.7
135.11700	0.4
139.07559	0.7
141.06984	0.4
141.09099	0.4
142.07788	0.9
143.08569	2.6
144.09378	0.4
145.06496	0.4
145.10115	1.9
147.08066	0.4
147.11699	1.2
149.09572	0.2
149.13358	0.2
155.08539	1.1
156.09370	0.7
157.10127	2.8
158.10912	0.1
159.08093	0.5
159.11716	2.0
160.12329	0.2
161.09654	1.5
161.13257	0.5
163.11179	0.4
167.08542	0.3
168.09361	0.4
169.10109	1.2
170.10880	0.5
171.08069	0.4
171.11711	1.8
172.08777	0.3
173.09639	0.6
173.13300	0.6
175.11212	0.5
179.08650	0.3
179.10703	0.2
180.09302	0.2
181.10161	0.5
182.10936	0.3
183.11661	1.8
184.12259	0.2
185.09599	0.5
185.13239	4.3
186.13731	0.2
187.11212	0.6
187.14844	0.7
189.12839	0.5
193.10170	0.5
194.10963	0.2
195.11690	1.0
196.12436	0.3
197.09641	0.3
197.13222	1.1
198.13925	0.3
199.11227	0.5
199.14864	0.6
201.12758	1.8
207.11765	0.4
208.12415	0.2
209.13304	0.7
210.10527	0.2
211.11163	0.9
211.14816	0.5
213.12785	0.8
213.16406	0.5
215.14337	0.2
217.12224	0.2
219.11678	0.3
221.13307	0.4
223.11221	0.2
223.14856	0.5
224.15495	0.3
225.12732	0.5
225.16396	0.7
226.17140	0.4
227.14340	0.9
227.17787	0.2
229.15942	0.2
231.13873	0.3
235.14977	0.2
237.16612	0.3
238.13535	0.2
239.14331	0.5
239.18034	0.6
241.16014	0.4
247.14726	0.2
249.12659	0.2
249.16502	0.4
251.14301	0.3
251.17986	0.2
252.14836	0.2
253.15993	0.4
263.18021	0.2
265.15802	0.4
265.19989	0.2
267.17386	1.3
279.17477	0.2
279.21246	0.3
281.19031	0.2
283.16953	0.7
291.17538	0.3
293.19150	0.4
297.18692	0.2
297.21970	0.2
299.20062	0.3
305.19049	0.3
307.20541	0.4
309.18570	0.5
323.19995	1.1
325.21555	2.7
326.21844	0.2
327.19684	0.3
333.10281	0.2
341.21313	0.4
343.22974	0.2
351.19543	1.2
361.25360	0.2
363.23218	0.2
365.24661	0.2
369.20544	1.3
379.26450	1.0
381.23837	0.8
389.24731	1.1
407.25812	6.7
408.26266	0.6
425.26813	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2687
Annotation	Chabrolobenzoquinone A
Peak:m/z	Relative Intensity
50.93657	2.4
53.03930	6.4
54.36625	2.6
55.05512	35.9
57.07065	2.7
65.03951	2.7
66.14365	2.4
67.05505	24.6
69.07055	11.3
69.27755	13.4
69.28159	4.3
72.56791	2.4
79.05489	18.6
81.07059	30.3
83.04986	76.8
83.08613	4.8
85.06586	2.9
86.07479	3.0
91.05473	20.7
93.07044	37.5
95.04968	6.6
95.08611	48.4
95.14355	3.1
97.06506	6.3
97.10194	3.3
103.05466	3.4
105.07027	39.7
107.08594	29.8
109.06513	6.8
109.10168	17.7
111.04453	22.0
111.08054	6.0
117.07024	13.3
119.08579	38.3
121.06470	8.9
121.10139	20.5
123.08056	15.5
123.11714	5.5
124.98730	2.9
128.06256	3.8
129.06999	10.0
130.07803	2.7
131.08549	29.5
133.06540	4.6
133.10133	26.4
135.08012	5.7
135.11728	6.1
137.05923	3.6
137.09613	5.1
141.06950	5.2
141.09174	4.0
142.07748	12.2
143.08556	24.5
144.09283	4.2
145.06464	2.9
145.10117	36.8
147.08002	8.1
147.11682	12.5
149.09570	5.8
155.08543	16.6
156.09320	10.4
157.10123	57.0
158.10725	3.9
159.08046	7.3
159.11708	32.5
161.09581	10.2
161.13229	8.8
163.11186	6.8
165.09048	6.7
167.08453	4.6
167.10614	3.7
168.09323	4.4
169.10080	26.8
170.10782	4.3
171.11676	45.2
172.08643	3.4
172.12093	4.1
173.09637	4.8
173.13264	22.8
175.07463	3.2
175.11159	7.8
175.14919	3.7
177.12788	3.2
177.93016	2.9
179.08485	4.2
179.10693	5.0
181.10132	8.5
182.10924	3.8
183.08054	2.7
183.11679	31.6
184.12390	5.0
185.09570	5.7
185.13257	24.7
187.11131	4.9
187.14870	5.6
189.12694	5.5
193.10161	6.5
194.10890	4.2
195.11642	11.3
196.12338	4.1
197.13216	26.2
199.11154	9.9
199.14816	10.3
201.12654	6.0
203.10553	4.2
203.14375	3.2
205.12215	7.0
207.11671	8.1
207.13791	9.4
209.13248	13.7
211.11183	6.0
211.14729	15.8
213.12741	8.5
213.16321	10.4
215.14304	5.5
217.12202	3.5
219.11725	6.3
219.13780	7.0
221.13295	11.4
223.11192	4.9
223.14854	17.0
225.12689	9.0
225.16316	17.4
227.14287	6.2
229.12254	4.9
231.13773	10.5
233.13266	3.3
233.15359	15.4
235.14703	5.1
237.16365	6.2
239.14317	10.6
239.18068	6.4
241.12318	3.2
241.15865	7.3
243.13882	4.5
245.15332	8.7
247.14708	4.8
247.16940	3.5
249.16310	14.4
251.14148	3.7
251.17921	7.2
253.19516	9.1
257.15353	7.7
259.17035	13.0
265.15790	5.8
267.17493	16.1
267.20297	3.4
269.15567	4.2
269.18744	4.7
275.17978	4.5
279.17377	5.0
283.16931	3.9
285.18497	30.8
286.19135	5.0
287.19931	3.5
293.18896	13.1
297.18433	7.6
311.20007	11.5
315.23331	4.3
325.21661	6.7
326.22507	19.7
333.22131	5.1
351.22931	6.5
361.25107	8.6
371.23657	8.8
379.26303	15.4
389.24689	33.6
390.24741	4.8
407.25766	57.5
408.26215	4.5
425.20605	4.9
425.26627	100.0
426.26572	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2685
Annotation	Sargaquinoic acid
Peak:m/z	Relative Intensity
50.34998	1.7
53.03957	3.7
55.01870	4.2
55.05512	14.0
57.03439	2.0
64.93616	1.4
65.03947	3.2
67.05508	33.2
69.03441	3.2
69.07079	11.1
71.04997	5.0
79.05499	23.0
79.10800	1.7
81.07058	35.2
81.07522	2.2
83.04980	18.4
83.08617	3.6
85.06559	5.2
91.05480	30.0
91.06004	2.5
93.07046	53.1
93.07624	2.9
95.04974	8.6
95.08606	52.2
97.06535	3.8
97.10181	3.9
99.04453	2.8
105.04530	2.3
105.07029	48.9
106.07361	2.1
107.04972	2.2
107.08600	34.5
107.09281	2.5
109.06496	9.0
109.10152	18.6
111.04454	5.8
111.08060	13.0
115.05467	4.0
117.07023	16.4
119.08582	43.0
121.06468	10.8
121.10130	15.9
123.04471	3.6
123.08076	15.3
123.11688	4.0
125.06031	1.8
125.09689	2.5
127.07635	1.4
128.06209	8.0
129.06972	11.0
130.07768	3.8
131.08572	36.3
133.06531	3.1
133.10118	23.9
135.08057	13.4
135.11723	7.9
137.06020	3.7
137.09633	5.3
139.07591	6.1
141.06963	9.8
141.09131	5.3
142.07793	11.3
143.08560	38.1
144.09311	4.4
145.06490	4.0
145.10117	45.5
147.08028	7.7
147.11702	14.3
149.09682	6.6
149.13327	3.1
151.03928	2.1
151.07530	2.5
153.07004	3.9
153.09155	3.9
154.07863	2.6
154.46913	1.5
155.08545	21.2
156.09340	11.1
157.10135	46.5
157.11435	2.4
158.10760	2.4
159.08046	7.3
159.11690	31.6
160.12296	3.3
161.09619	13.4
161.13280	4.3
163.07544	4.2
163.11247	4.8
165.05611	1.8
165.06956	3.6
165.09171	4.6
166.07912	1.5
167.08633	5.1
168.09390	5.3
169.10136	37.5
169.11511	2.3
170.10899	5.0
171.08051	2.6
171.11693	54.6
172.08789	1.8
172.12196	3.0
173.09618	7.7
173.13257	10.1
174.10298	1.8
175.11179	7.9
177.09155	2.9
179.08635	3.9
179.10721	6.0
181.10132	9.2
182.10936	5.0
183.11691	33.8
184.12427	3.0
185.09669	7.1
185.13258	22.4
186.13789	1.9
187.11258	4.4
187.14838	3.7
189.11253	2.0
189.12808	5.2
191.10718	5.8
192.09320	2.5
193.10222	8.0
193.12184	2.7
195.11693	14.7
196.12508	3.1
197.09659	3.7
197.13231	21.4
198.13750	2.4
199.11263	7.2
199.14772	7.5
201.12846	5.5
203.10721	3.7
205.10356	3.3
205.12306	9.2
206.10814	2.1
207.11765	8.2
207.13625	1.9
208.12476	1.6
209.13232	12.8
210.14050	2.5
211.11244	6.9
211.14879	12.7
213.12804	10.7
213.16447	2.5
215.10739	3.4
217.12251	3.6
219.11841	3.5
219.13905	12.0
220.12598	2.3
221.13263	9.6
223.11383	1.8
223.14842	11.8
224.15601	1.5
225.12852	6.1
225.16382	16.3
227.10698	1.7
227.14392	5.8
229.12225	8.7
229.15962	5.3
231.13780	19.7
233.13354	2.5
233.15501	3.8
235.14809	3.0
237.12872	2.9
237.16470	5.4
239.14368	5.7
239.18086	5.0
241.15985	3.7
243.13824	8.3
245.15385	12.8
247.14807	3.1
247.16895	9.8
249.16357	13.5
251.14410	5.0
251.18050	4.4
253.16037	4.4
253.19583	3.6
257.15372	7.6
259.17081	3.9
263.14337	2.5
265.16013	5.4
267.17444	16.6
269.15643	3.1
269.19003	3.7
271.17023	4.2
273.15082	2.3
273.18527	2.2
279.17413	3.2
283.17068	4.2
284.17850	4.2
285.18491	55.4
286.19113	5.0
287.20300	4.5
291.17487	1.8
293.19003	7.5
295.20691	1.8
297.18613	2.6
299.20166	1.6
303.08655	2.7
311.20129	9.9
323.20355	2.7
325.21777	3.0
326.22400	10.9
327.23212	2.4
333.22183	2.4
343.24445	1.8
361.25406	4.9
365.24945	5.0
371.23911	3.0
379.26389	11.5
389.24774	22.3
390.25165	3.4
407.25867	35.7
408.25897	3.6
425.26941	100.0
426.27051	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66411	19.9
59.64135	19.9
62.19106	18.7
67.05502	43.6
68.22182	22.7
69.07069	56.5
71.05940	20.2
71.32293	32.2
79.05493	28.1
81.07065	80.0
82.45004	19.4
83.04977	48.2
91.05482	34.3
92.29048	19.1
93.07031	60.0
95.08627	100.0
105.07066	43.1
107.08578	50.9
109.10177	58.9
119.08559	98.9
121.10143	44.7
133.10133	64.5
135.11707	31.7
143.08594	30.5
145.10133	62.7
147.11661	40.9
157.10133	59.4
159.11673	41.8
165.09108	69.2
169.10139	27.3
171.11703	57.4
189.16476	26.5
200.96358	19.5
202.10039	22.3
211.11206	20.3
231.13765	20.8
243.43817	22.5
245.15425	23.3
247.43790	20.0
253.36609	19.6
265.19595	25.6
398.77118	20.9
407.25739	30.4
408.25528	20.9
425.21329	33.7
425.26260	51.4
425.33737	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.05514	19.0
57.07074	1.3
61.70560	0.5
67.05515	6.6
69.07066	5.9
71.04992	2.2
71.30047	1.1
79.05497	4.4
81.07060	12.2
83.04984	100.0
83.08615	2.5
84.05321	2.2
91.05472	4.1
93.07046	8.5
95.04988	2.2
95.08604	15.0
97.10177	1.8
99.04438	0.8
105.07027	8.5
107.08597	9.1
109.06548	0.9
109.10162	8.9
111.04458	1.2
111.08107	1.6
111.11687	0.9
113.06021	0.7
113.09641	0.6
114.66447	0.6
117.07028	1.8
119.08589	9.3
121.06550	0.8
121.10144	6.8
123.08076	2.2
123.11724	3.3
127.11217	1.8
128.06255	1.0
129.07036	1.4
130.07770	0.8
131.08571	4.7
133.10153	7.9
135.08072	0.8
135.11702	4.0
137.13264	1.6
139.07593	1.4
141.09088	0.9
142.07819	1.6
143.08598	5.5
145.10127	8.4
147.08034	0.9
147.11664	4.0
147.74214	0.7
149.13277	2.7
155.08627	1.3
156.09351	1.6
157.10152	7.0
159.08063	1.0
159.11693	6.4
161.09642	2.6
161.13292	3.5
163.11163	0.9
163.14847	1.3
169.10178	2.3
170.10902	0.8
171.11710	4.5
173.09676	1.4
173.13275	4.3
175.14870	2.3
177.16402	1.5
179.10780	0.8
181.10129	1.2
183.11734	3.1
184.12413	0.7
185.13263	5.8
187.11292	1.6
187.14780	3.6
189.12756	0.9
189.16425	2.9
191.18062	0.7
195.11794	0.8
197.13281	1.6
199.14851	2.6
201.12813	2.2
201.16374	1.3
203.17993	2.7
205.16135	0.7
209.13275	1.2
211.11169	0.9
211.14891	2.6
213.12827	1.3
213.16466	1.8
215.14433	0.7
215.18018	1.8
217.19530	2.5
223.14955	0.8
225.12810	0.9
225.16298	0.8
227.14346	1.1
227.17966	2.7
229.15929	0.7
229.19633	2.0
239.17931	1.3
245.15428	0.7
257.22699	1.3
267.17499	2.4
283.16962	1.5
285.18546	1.3
299.20236	0.7
323.20102	1.3
325.21637	2.9
327.19516	0.9
351.19458	1.6
367.26279	5.4
369.20712	1.9
379.26309	1.2
381.24240	1.1
389.24689	1.2
407.25867	8.6
408.26123	1.0
425.26624	2.7
425.38281	6.3
426.19098	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2688
Annotation	Apo-10'-fucoxanthinal
Peak:m/z	Relative Intensity
52.11808	1.2
53.03939	3.9
55.01871	2.7
55.05508	59.1
56.05851	1.3
57.07061	1.2
65.03961	1.7
67.05505	15.7
69.03438	1.7
69.07063	6.7
69.55432	1.2
79.05494	11.2
81.07055	20.3
83.04979	81.2
83.08616	1.5
84.05301	1.7
89.06013	1.0
91.05479	14.6
93.07044	17.1
95.04967	5.1
95.08601	23.1
97.06531	3.4
103.05452	1.1
105.07024	23.2
107.05025	1.2
107.08595	18.7
109.06495	6.0
109.10154	9.5
111.04389	1.6
111.08088	4.5
115.05441	1.7
117.06992	5.4
119.08581	21.1
121.06510	4.2
121.10133	7.6
123.08072	10.4
123.11712	3.0
128.06213	2.9
129.07007	4.2
130.07727	1.3
131.08582	10.4
133.10118	14.6
135.08041	21.7
135.11697	4.8
137.09621	2.9
137.13216	1.5
139.07550	1.7
141.06909	3.5
141.09135	1.4
142.07774	3.9
143.08562	11.3
144.09315	1.3
145.06505	1.7
145.10133	19.5
147.08028	3.6
147.11682	5.6
149.09608	5.7
151.07556	1.3
155.08575	7.8
156.09343	4.5
157.10112	15.2
158.07162	1.1
159.08055	6.1
159.11691	11.9
161.09595	11.4
161.13307	3.1
163.07518	1.2
163.11232	1.6
165.06961	2.9
165.09068	1.4
166.07805	1.4
167.07045	1.8
167.08688	2.2
168.09355	2.2
169.06555	1.5
169.10130	9.6
170.10922	1.9
171.08075	2.8
171.11682	7.9
172.08817	3.0
173.09602	6.0
173.13300	4.3
175.09871	1.2
175.11147	7.1
179.08574	1.7
181.10120	3.8
182.10925	3.5
183.07991	1.5
183.11658	10.1
184.12245	1.7
185.09628	4.5
185.13281	6.5
186.10316	1.3
187.11168	11.0
189.12740	4.3
192.09331	1.3
193.10139	4.1
195.08102	1.8
195.11679	7.5
196.12373	1.9
197.09584	3.8
197.13271	7.0
199.11142	8.9
199.14833	4.1
201.12781	4.3
201.16432	1.9
203.14317	1.7
205.10172	1.7
205.12173	1.5
207.11638	3.2
208.12370	1.9
209.09554	2.3
209.13284	3.3
210.06778	1.3
210.10336	1.4
210.13908	1.6
211.11156	7.3
211.14806	4.9
213.12743	4.8
213.16338	1.9
215.14253	1.3
220.12537	2.8
221.13284	2.2
223.11168	1.4
223.14828	3.5
224.11853	1.6
225.09232	2.3
225.12769	10.7
225.16365	3.4
227.14265	6.0
229.15767	1.4
233.15331	2.9
235.14743	3.1
237.16400	1.7
239.14297	6.6
239.17929	3.9
241.15932	2.4
241.19417	2.0
247.14740	1.6
247.16995	3.5
248.15250	1.4
249.16403	4.5
251.14311	3.0
253.08659	1.9
253.15880	8.9
255.17294	1.6
257.15366	1.6
265.15881	2.7
267.17426	20.7
268.17938	5.7
269.19000	10.4
271.16901	1.8
281.08206	4.4
283.16998	1.6
283.20679	1.2
285.18423	2.5
291.17593	1.4
291.20688	1.4
293.18933	6.3
308.21341	2.4
311.09125	3.1
311.19928	4.1
323.19821	1.4
328.09225	1.3
343.11697	6.2
361.25198	3.9
379.26352	3.9
389.24832	10.8
390.25009	2.0
407.25766	100.0
408.26126	11.3
425.26703	17.4
425.34174	1.5
426.27005	3.0
446.84378	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03095	0.8
55.05271	1.2
55.05513	11.8
57.07063	1.1
61.61981	0.6
63.18821	0.7
67.05511	5.2
69.07071	3.9
71.31369	0.9
79.05493	4.2
81.07059	8.3
83.04980	17.1
83.08631	1.3
84.05285	0.9
91.05457	3.2
93.07050	9.6
95.04946	0.7
95.08060	0.8
95.08607	12.5
96.08937	0.7
97.06495	1.0
97.10143	0.7
105.07022	6.4
107.08590	8.0
109.06488	0.9
109.10156	5.9
111.04415	2.2
111.08079	0.9
117.06989	1.0
119.08590	8.0
121.10146	8.3
123.08018	0.8
123.11704	2.2
129.07008	1.0
131.08588	3.6
133.10110	7.9
134.10585	0.8
135.08023	0.9
135.11690	4.0
137.13277	1.0
143.08527	2.1
145.10150	5.2
147.01149	0.8
147.11653	4.5
149.13245	3.0
151.07600	1.0
153.09102	1.4
155.08521	1.4
157.10078	2.5
159.11671	3.6
161.09560	0.9
161.13229	3.2
163.11240	0.8
163.14861	2.0
167.07005	1.4
169.10156	1.3
171.11694	2.3
173.09576	0.8
173.13234	3.7
175.14807	2.8
177.16298	0.8
181.10176	0.7
183.11584	1.7
185.13185	1.7
187.14793	2.0
189.16365	3.8
191.17889	1.4
197.13196	0.8
199.14783	1.5
201.16331	2.1
203.18019	1.7
209.15416	0.9
211.14784	0.9
213.12764	0.8
213.16388	1.5
215.17947	2.1
217.19450	1.2
223.14873	1.1
225.09091	0.8
227.17749	0.7
235.16991	0.9
245.15503	1.0
247.16989	1.2
267.17450	1.4
281.08209	0.8
285.18414	0.9
325.21631	0.9
326.22534	1.0
343.11691	1.4
343.26242	2.3
355.26129	2.0
389.24686	1.2
407.25705	2.6
407.33282	1.0
425.26865	4.2
425.32321	100.0
426.27322	1.1
426.32654	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.01876	1.2
55.05511	58.8
56.05848	1.4
57.07066	0.9
65.03928	0.7
67.05507	7.6
69.03437	0.8
69.07066	4.6
69.10268	4.2
72.58588	0.5
79.05490	5.9
81.07057	11.1
83.04980	100.0
83.08625	2.1
84.05312	3.2
85.06590	0.5
91.04956	0.9
91.05482	8.7
91.06022	1.0
91.50264	0.6
93.07040	13.2
95.04966	1.5
95.08605	16.9
96.21389	0.5
97.06528	1.2
97.10168	1.2
97.48174	0.4
103.05447	0.9
105.07028	12.5
107.04959	0.6
107.08591	14.5
109.06542	1.5
109.09448	0.8
109.10155	10.9
109.10903	0.6
110.10504	0.5
111.04438	1.5
111.08088	1.4
115.05470	0.6
117.07011	2.7
119.08581	16.7
119.09444	0.9
121.06538	2.5
121.10137	11.3
123.08082	2.1
123.11730	2.8
128.06213	1.4
129.07008	3.2
131.08568	5.4
133.06474	0.7
133.10136	12.2
135.08051	3.8
135.11710	4.8
137.09668	0.8
137.13298	0.5
139.07562	1.0
141.07021	1.3
142.07776	2.1
143.08543	4.4
144.09300	0.8
145.06493	0.7
145.10110	7.6
147.07997	2.6
147.11696	6.9
149.09599	1.4
149.13266	3.1
153.07018	0.9
153.09094	2.0
154.07732	0.7
155.08551	1.7
156.09364	1.8
157.06467	1.6
157.10136	5.6
159.08072	1.9
159.11697	5.1
161.09644	3.1
161.13263	4.1
163.11150	1.2
163.14845	2.1
165.07027	1.2
165.09155	0.8
166.07709	0.6
167.08556	1.7
167.10619	0.6
168.09348	0.7
169.10091	3.9
170.10904	0.8
171.08080	0.6
171.11702	3.9
173.09621	2.0
173.13255	3.9
175.11200	2.0
175.14850	4.4
177.16415	1.8
178.07738	0.6
179.08481	2.7
179.10716	0.8
181.10146	3.1
181.12228	0.9
183.08006	1.2
183.11703	2.2
184.08716	0.5
185.09610	1.1
185.13277	2.6
187.11148	1.6
187.14742	3.2
189.12738	0.8
189.16386	7.2
191.08585	1.4
191.17880	1.5
192.09367	1.4
193.10071	2.0
193.11884	0.6
194.10820	0.7
195.08043	1.6
195.11676	1.7
195.13737	0.8
196.12500	0.5
197.09628	2.8
197.13321	1.8
198.10414	0.6
199.11154	3.6
199.14853	1.1
201.12727	1.4
201.16466	2.7
202.07785	0.7
203.08609	0.9
203.17926	3.1
204.09340	0.9
205.10086	2.2
205.12050	0.5
206.10912	12.6
207.11606	3.2
207.13603	0.8
208.12494	0.7
209.09576	1.4
209.13287	1.2
209.15387	1.3
210.10353	0.8
211.11127	0.6
211.14822	1.1
213.12740	1.2
213.16362	0.7
215.08569	0.9
215.17947	2.4
216.09407	0.7
217.10147	1.4
217.19551	0.9
218.10889	1.0
219.11665	3.2
219.13701	1.1
220.12413	1.0
221.09740	0.6
221.13281	8.6
221.15346	1.3
222.13731	0.8
223.11182	0.7
223.14766	0.7
225.12749	1.9
227.14291	0.9
227.17958	0.7
228.09398	1.3
229.10132	1.9
230.10924	1.3
231.11836	2.3
231.13759	0.8
232.12413	0.7
233.09506	0.7
233.13258	2.3
233.15355	1.4
234.13896	0.8
235.11176	1.3
235.14867	0.8
235.16919	1.8
237.12724	1.5
239.14349	1.5
239.17941	0.5
241.10178	1.1
241.19414	0.5
242.10904	1.6
243.11691	2.7
244.12463	1.6
245.09674	0.9
245.13263	1.5
246.10385	0.7
247.11176	1.4
247.14850	1.2
247.17010	1.4
248.11896	0.8
249.12741	3.0
249.16313	0.6
249.18512	0.5
251.03429	0.5
251.14413	1.6
253.05078	0.6
253.10207	1.3
254.10823	2.0
255.11609	2.9
256.12430	2.6
257.13217	2.8
258.13998	1.9
259.11218	1.2
259.14761	1.3
260.11929	1.1
261.12735	1.9
261.16260	0.6
262.13354	0.8
263.14301	2.0
265.15817	0.8
266.05737	0.5
266.10822	0.6
267.11627	1.4
268.03479	0.9
268.12384	1.5
269.13165	3.4
270.14056	2.4
271.11237	1.5
271.14755	3.7
272.12000	1.0
272.15424	0.8
273.12704	1.8
273.16266	1.5
275.14212	1.7
277.15927	4.0
280.12338	0.7
281.13196	2.3
282.14011	2.1
283.14706	2.6
284.12054	1.0
284.15472	1.5
285.12796	1.1
285.16321	2.5
286.13486	1.3
286.17166	1.6
287.14252	2.2
287.17346	0.7
288.15015	0.7
289.15964	2.6
291.17374	1.0
293.13123	0.7
294.13687	0.6
295.11359	0.6
295.14841	1.3
296.15558	1.3
297.07523	2.2
297.12872	0.9
297.16483	1.6
298.13687	0.8
298.17230	0.7
299.14233	1.3
299.17819	1.8
300.14984	0.7
301.15738	1.6
301.19086	0.7
303.17426	1.7
307.14597	0.6
309.16272	0.7
310.16803	0.6
311.14502	0.9
311.17825	4.0
312.14993	1.1
312.18231	1.1
313.15897	1.4
313.19208	0.9
314.16553	1.0
315.17477	1.0
321.16513	0.6
323.14191	0.7
325.15961	0.8
326.20224	3.0
327.17380	1.8
327.20956	1.0
329.15472	0.6
329.18948	8.7
329.24582	1.0
330.19489	1.2
331.20523	1.4
337.15674	0.6
337.19449	0.7
339.17383	1.3
339.21054	0.8
341.18878	1.1
343.08258	3.0
343.20462	1.0
343.26288	4.4
350.16415	0.7
353.18848	0.8
355.20474	1.1
355.26288	3.8
365.18936	1.4
367.16568	0.9
367.20779	1.3
369.18219	1.2
377.18726	0.9
382.19058	1.1
383.19827	2.4
383.24185	1.0
389.24103	0.6
397.25281	2.3
407.23520	5.7
425.12415	1.5
425.24722	59.9
425.33527	11.4
426.25082	8.8
426.34027	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3413
Annotation	alpha-Tocotrienol
Peak:m/z	Relative Intensity
53.03942	2.0
55.01870	1.5
55.05513	22.9
57.07074	6.3
65.03939	1.7
67.05506	35.9
69.07069	35.3
69.38882	2.3
69.39293	6.5
70.70580	1.2
71.08620	2.1
79.05494	27.9
81.07057	71.3
83.04980	15.6
83.08621	14.5
85.06535	3.1
88.86596	1.4
91.05483	25.8
93.07043	72.9
94.07357	1.6
95.04989	3.0
95.08607	95.3
96.08952	2.1
97.06533	5.0
97.10149	8.9
98.22668	2.6
105.06482	1.5
105.07030	50.2
107.08594	96.9
108.08923	2.2
109.06554	2.6
109.10154	70.7
111.04419	1.8
111.08082	2.2
111.11712	2.5
115.05492	2.3
117.06975	8.7
119.08577	83.5
120.08942	2.9
121.06513	2.8
121.10140	73.6
123.08067	4.5
123.11713	26.1
127.07591	3.1
129.07019	3.8
131.08571	24.8
133.06505	1.7
133.10133	63.6
134.10451	2.0
135.08041	10.1
135.11690	37.6
135.71786	1.5
137.09636	3.2
137.13254	7.7
139.07550	3.1
140.50151	1.3
143.08553	8.4
145.10117	37.9
146.10483	1.9
147.08061	6.0
147.11684	40.6
148.12018	1.6
149.09653	5.3
149.13261	25.3
151.14763	2.3
153.09099	13.9
155.08598	3.1
156.09302	1.7
157.10146	11.7
159.08095	2.5
159.11694	34.4
160.12001	1.8
161.09630	8.2
161.13237	26.4
163.07526	2.1
163.11205	3.7
163.14801	17.7
165.09138	3.2
167.07101	1.5
167.10643	7.2
169.10175	3.7
171.11676	9.7
172.12437	2.0
173.09665	2.5
173.13264	30.7
174.13646	2.2
175.11211	5.1
175.14825	27.7
175.70180	1.4
177.09085	3.4
177.12781	2.4
177.16367	14.6
179.10696	5.2
181.10497	1.4
181.12231	7.7
183.11702	3.7
185.13239	8.3
187.11220	2.1
187.14787	24.5
189.12756	6.0
189.16377	43.9
190.16718	2.1
191.10645	1.8
191.14310	3.7
191.17943	9.2
193.12317	3.7
195.11740	2.3
195.13818	8.0
197.13263	4.3
199.11588	1.7
199.14842	10.7
201.12674	1.7
201.16394	21.7
203.14304	2.4
203.17949	24.8
205.19470	1.4
207.13786	4.0
209.13422	2.2
209.15352	16.8
211.14972	1.9
213.16353	5.8
214.17104	1.6
215.14429	1.9
215.17935	20.2
217.12276	2.2
217.15958	2.4
217.19469	8.8
219.13863	4.5
221.13474	1.5
221.15297	7.2
223.16988	4.0
225.16402	3.1
227.17934	4.0
229.19479	8.8
230.92863	1.5
231.13803	2.0
231.21091	3.4
233.15405	5.3
235.16913	11.3
241.19580	3.0
243.21111	4.2
245.22676	2.3
247.16916	7.0
249.16141	1.6
249.18547	5.9
255.21014	2.9
257.22638	8.3
258.26144	1.6
259.16980	2.4
261.18381	2.0
269.18954	1.6
269.22592	4.0
271.24304	1.6
273.18976	1.7
275.19968	2.9
283.24060	2.1
299.20322	1.5
301.21725	4.1
313.21786	1.9
315.23126	2.0
329.24838	6.1
341.24768	3.3
343.26254	25.9
344.26724	1.8
355.26370	24.6
356.26434	3.0
365.32349	1.6
369.27997	1.9
370.70709	1.6
425.34116	100.0
426.34268	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.7
55.01860	1.4
55.05511	90.5
56.05840	2.8
57.07074	3.5
67.05502	18.9
69.03427	2.2
69.07069	13.2
69.12248	6.3
69.12651	2.5
71.05006	1.9
71.08617	2.1
79.05486	12.2
81.03406	1.5
81.07059	29.2
83.04979	100.0
83.08631	7.3
84.05301	2.4
85.02909	1.3
89.06041	1.7
91.05466	12.5
93.07047	29.4
94.25837	1.1
95.05002	1.4
95.08605	44.7
97.02900	3.3
97.06533	1.7
97.10165	6.1
99.04454	5.4
105.07035	20.5
105.07687	2.2
107.08596	36.4
109.02882	3.2
109.10146	27.4
110.10492	1.8
117.07012	4.2
119.08578	35.8
120.08965	1.2
121.06479	1.7
121.10137	26.3
123.11689	9.8
127.03902	3.4
129.06935	1.4
131.08591	11.0
133.10124	24.5
135.08064	4.6
135.11703	15.2
137.13264	2.2
143.08574	3.5
144.09409	1.1
145.10109	15.9
147.08064	2.0
147.11699	17.0
149.09625	2.1
149.13252	7.8
153.09123	4.3
155.08534	1.7
157.10147	5.1
159.08017	1.4
159.11684	14.0
161.09622	3.5
161.13246	11.4
163.14792	6.3
167.10706	2.3
169.10106	1.8
171.11693	3.0
173.09772	1.3
173.13298	10.1
175.11220	2.8
175.14799	9.7
175.16144	1.2
177.16364	6.8
179.10699	1.9
181.12296	3.4
182.07324	2.6
183.11778	1.9
185.13274	3.2
187.14830	8.3
189.12762	2.6
189.16405	15.9
191.14180	1.8
191.17938	2.4
193.12157	1.8
195.13686	2.4
197.09492	1.1
197.13289	2.7
199.14809	2.6
201.16393	8.6
203.17950	8.0
205.12349	1.4
209.15327	5.5
210.06764	3.3
211.14766	2.1
213.16425	2.7
215.17934	8.9
217.19531	3.1
219.13731	1.2
221.15388	3.2
225.09169	5.0
227.18074	1.6
229.19598	3.0
233.15364	1.4
235.16902	3.3
238.06282	1.7
239.14420	1.2
241.19586	1.6
243.21115	1.6
247.17036	3.1
249.18588	2.5
253.08682	2.9
268.07065	1.6
275.20016	1.5
281.08038	10.4
282.08365	1.9
289.21750	1.5
311.09232	6.1
328.09097	1.7
329.25153	1.8
343.11743	10.5
343.26166	6.9
344.11801	1.6
355.26309	8.1
425.16757	1.4
425.26758	3.6
425.34189	31.1
426.34177	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3413
Annotation	alpha-Tocotrienol
Peak:m/z	Relative Intensity
51.46465	1.1
53.03927	3.3
55.05513	20.9
57.07063	5.0
60.33959	1.1
61.69947	1.4
61.73919	1.4
62.93888	1.2
65.03937	2.8
67.05505	37.4
69.07071	33.4
69.10915	2.6
69.11319	8.9
71.04988	4.9
71.08624	1.8
77.03854	1.4
79.05495	30.6
81.07059	63.2
82.07344	1.4
83.04976	3.6
83.08620	15.2
85.06532	4.0
89.06023	1.4
90.03160	1.1
91.05482	29.3
93.07044	57.4
95.04946	1.5
95.08609	98.8
96.08928	1.4
97.06524	3.6
97.10171	9.7
99.04437	5.5
99.08081	1.5
101.06018	3.4
103.05459	1.2
105.04510	1.4
105.07027	58.5
106.07267	1.4
107.08598	98.2
108.08906	4.3
109.06492	3.9
109.10157	71.0
110.10487	1.4
111.08073	1.5
111.11689	2.5
117.07027	9.0
119.08584	100.0
120.08900	4.1
121.06528	1.6
121.10142	75.5
122.10474	2.4
123.08064	4.9
123.11707	26.7
127.07559	2.2
127.11195	8.1
129.06950	3.6
131.08580	16.7
133.10135	72.0
135.08022	4.4
135.11696	35.4
136.11969	1.9
137.09587	2.7
137.13245	9.7
141.09039	1.8
142.07774	1.6
143.08562	7.1
144.09293	2.3
145.10112	29.5
147.08061	3.4
147.11687	45.4
148.11981	1.8
149.09590	5.3
149.13274	20.0
151.11089	1.8
153.09129	7.8
155.08554	1.7
156.09306	2.2
157.10094	12.3
158.10883	1.7
159.11694	28.0
160.12061	1.6
161.09633	8.5
161.13257	30.6
163.11162	4.6
163.14841	15.7
165.09131	22.5
167.10710	9.1
169.10120	2.5
170.10783	1.4
171.11684	8.9
173.09561	1.7
173.13252	19.6
175.11206	7.0
175.14838	26.0
177.09058	1.6
177.12779	3.8
177.16386	16.5
179.10625	5.6
181.12286	7.5
183.11656	3.8
185.13254	7.8
187.11076	1.3
187.14801	19.7
189.12720	3.0
189.16385	50.6
191.10693	3.2
191.14299	1.9
191.17894	5.8
193.12265	4.6
195.11964	1.5
195.13748	8.4
197.13229	4.1
199.14784	5.5
201.16351	21.8
203.10606	1.8
203.14299	3.0
203.16238	2.0
203.17981	29.9
204.18219	2.0
205.12167	4.3
207.13817	2.7
209.15364	3.7
211.14893	2.7
213.16422	8.5
215.14407	1.7
215.17944	10.4
217.12177	2.0
217.15915	2.3
217.19508	6.3
219.13783	2.8
221.15395	10.1
223.14981	1.7
223.16968	6.4
225.16344	2.2
227.18042	6.8
229.15703	1.6
229.19490	11.1
231.13780	2.8
231.21014	4.5
233.15317	5.9
235.16913	9.5
241.19472	4.1
243.21010	4.6
245.22820	2.1
247.16870	4.3
249.18428	6.0
253.19426	1.4
255.21062	3.6
257.22586	4.3
259.16919	1.5
261.18332	3.1
263.20071	1.5
269.22614	3.3
283.24152	4.6
287.19940	3.9
289.21741	1.4
297.25739	2.6
303.23038	2.2
315.23056	3.5
319.81226	1.6
329.24698	3.0
339.30157	1.9
341.24451	2.2
343.26343	24.4
344.26407	2.3
355.26279	22.3
356.26407	1.9
407.32535	2.2
425.21506	2.2
425.33942	61.4
426.34366	7.1
446.32410	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01896	2.1
55.05511	67.4
57.07082	4.2
65.03938	2.1
67.05502	35.8
69.07073	24.0
71.30293	3.1
79.05492	34.4
81.07059	59.4
81.07528	3.7
83.04480	3.9
83.04981	76.4
83.08614	14.7
85.06564	1.8
91.05478	34.2
93.07043	73.9
95.04967	3.5
95.08606	100.0
96.08967	2.4
97.10164	8.0
100.27120	1.7
105.07038	50.6
107.08595	86.1
108.08919	3.3
109.06520	2.7
109.10152	74.0
111.04461	1.7
111.08086	3.7
115.05431	1.7
117.07012	8.8
119.08581	95.4
120.08891	2.2
121.06525	3.1
121.10140	70.5
122.50243	1.9
123.08084	5.8
123.11707	17.3
127.07571	2.7
128.54428	1.9
129.06990	2.2
131.08571	22.7
133.06509	4.2
133.10135	62.6
135.08066	9.3
135.11697	28.1
137.13255	2.9
139.07567	2.7
141.09106	1.8
142.07834	2.5
143.08553	11.1
145.10124	29.5
147.08061	4.4
147.11687	37.1
149.09631	4.0
149.13237	16.0
153.09073	4.5
155.08487	2.5
157.10144	10.9
158.10880	3.1
159.11693	31.2
160.12518	1.7
161.09631	12.2
161.13260	28.4
163.11201	2.8
163.14821	14.9
165.09129	5.2
167.07088	4.9
167.10686	4.7
169.10088	3.4
170.10933	2.7
171.11702	10.2
173.09619	3.9
173.13248	20.1
175.11172	4.7
175.14833	21.3
177.09146	3.9
177.12749	3.7
177.16347	20.4
179.10724	3.8
181.12250	5.3
183.11760	4.3
185.13292	8.0
187.11131	2.7
187.14835	21.8
189.12799	3.9
189.16379	47.7
190.16704	3.7
191.10631	3.5
191.14313	2.3
191.17970	12.9
193.10283	2.6
193.12248	4.6
195.11987	2.0
195.13814	3.3
197.13283	2.8
199.14836	5.3
201.12759	3.8
201.16379	10.1
203.14400	2.4
203.17934	20.4
205.12189	2.5
207.13858	3.7
209.13573	2.3
209.15401	7.4
211.14915	3.8
213.16431	4.1
215.17993	7.2
217.15877	2.9
217.19536	5.6
219.13733	4.3
221.15417	12.8
222.06738	2.3
223.17166	2.7
227.17961	4.4
229.19591	5.9
231.07938	2.0
231.21014	2.7
233.15359	7.9
235.16968	11.6
243.20975	2.6
246.72249	1.9
247.16962	8.1
249.18513	2.9
253.19244	2.3
255.21060	3.2
261.09354	2.8
261.18625	3.2
263.07013	2.1
263.20163	2.4
264.07867	3.2
265.08670	4.5
273.18414	2.5
275.20001	2.5
279.10190	4.0
280.07336	2.9
285.18463	2.4
287.20187	2.4
291.10141	3.0
294.08884	2.5
299.20041	2.8
301.21509	2.4
306.08911	2.6
307.09729	2.1
309.11081	3.4
311.08786	1.9
315.23599	2.3
319.09689	3.1
322.08359	4.2
327.23303	2.3
329.24823	4.4
333.11429	2.4
334.12143	3.9
335.12720	2.9
337.10660	37.1
337.14355	3.6
338.11078	5.9
343.26309	29.7
344.26657	3.5
350.73944	1.9
355.26251	32.1
362.11517	2.2
365.13818	3.3
378.11157	2.6
393.13330	12.9
407.25891	2.2
420.39404	2.2
425.16104	4.1
425.27017	7.0
425.34198	78.6
426.34601	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.85321	2.5
52.80894	2.2
55.05513	24.9
57.07068	9.4
65.13655	2.3
67.05506	34.5
69.03423	2.7
69.07069	50.4
71.30388	2.8
71.90144	2.5
79.05495	19.6
81.07059	96.3
83.04982	30.5
83.08635	18.4
91.05482	18.6
93.07046	57.5
94.07368	3.4
95.04982	3.7
95.08608	100.0
96.08953	4.0
96.31590	2.5
97.06536	6.0
97.10180	3.9
97.68880	2.6
105.07031	41.7
107.08601	74.6
108.08929	3.0
109.10154	74.9
110.10475	4.3
111.08119	5.5
111.11727	3.6
117.07017	6.5
119.08578	43.7
120.08921	4.2
121.06544	3.2
121.10143	67.0
123.08079	5.5
123.11709	49.8
131.08592	11.7
133.10144	30.3
134.10468	3.8
135.11703	52.6
137.13269	22.6
143.08600	7.3
145.10117	18.4
147.11684	30.2
149.13255	38.1
153.12648	2.6
157.10133	9.5
159.11742	23.0
160.12090	3.1
161.13257	28.6
163.14810	13.2
166.16971	2.8
167.07063	3.5
169.10152	6.5
171.11694	10.6
173.13261	18.6
175.14793	20.3
177.16376	21.3
179.14331	4.0
183.11627	5.7
185.13211	7.7
187.14816	16.8
189.12845	3.6
189.16408	16.7
191.14229	3.5
191.17961	9.7
195.11650	3.3
197.13226	5.5
198.57707	3.1
199.14912	4.8
201.16449	9.5
203.17963	8.1
205.45447	2.6
211.11128	3.6
211.14719	4.1
213.16406	4.1
215.17982	9.7
217.19518	10.2
217.61220	3.0
223.14891	3.1
225.16289	5.5
227.17940	5.2
229.12250	5.2
229.19531	10.3
231.21103	6.0
241.19550	4.5
243.21143	3.2
257.22711	3.5
259.24048	3.7
265.15845	4.0
269.22705	3.5
271.20999	2.4
271.24286	10.1
283.17001	2.8
283.24124	7.7
285.18442	3.3
285.25702	9.1
293.18875	3.1
389.24698	4.7
407.25699	9.0
407.36621	18.0
408.37125	4.5
425.26526	11.7
425.37833	72.1
426.38235	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3776
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.02382	2.0
53.03919	2.1
55.05513	18.5
57.07075	9.6
59.04996	2.2
67.05502	29.0
67.05845	3.3
68.99909	19.5
69.07067	27.4
70.32384	2.0
71.08644	3.4
71.31348	2.0
79.05495	21.2
81.07057	95.5
82.07392	3.4
83.04983	31.1
83.08621	16.2
91.05486	14.7
93.07047	46.6
94.07372	2.4
95.04958	3.2
95.08609	94.1
97.06531	3.2
97.10181	11.7
105.07037	39.7
107.07865	3.7
107.08598	67.1
109.10159	58.2
110.10544	3.2
111.11736	2.9
117.07051	3.5
119.08592	46.4
120.39835	2.1
121.10147	72.8
121.11022	4.1
123.11697	33.8
131.08583	9.1
133.10138	34.5
135.11681	34.1
137.13264	17.3
143.08604	7.2
145.10135	15.8
147.11702	33.6
149.13249	24.0
150.13579	2.5
157.10144	6.3
159.11684	20.2
160.12505	3.0
161.09599	2.6
161.13260	46.0
163.14822	29.0
164.15176	3.6
165.12776	3.4
171.11751	6.4
173.13249	22.0
175.14828	27.7
177.16391	31.7
179.14314	4.8
183.73079	2.3
185.13295	7.3
187.14856	17.5
189.16376	19.2
191.17979	13.9
193.15883	2.3
199.14789	3.8
200.15715	2.4
201.16403	7.3
203.17949	15.4
205.19572	4.1
212.23665	2.2
213.16331	3.0
215.17871	13.2
217.19533	13.9
227.17952	4.6
229.19514	18.9
231.21043	17.5
243.21101	2.9
245.22649	2.7
257.22647	3.3
269.22672	3.0
271.24286	4.1
283.24310	3.4
285.25751	3.9
407.25830	4.6
407.36710	25.7
408.37039	4.0
425.17514	8.2
425.26541	6.3
425.37872	100.0
426.38025	11.3
436.76682	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03936	3.5
53.79627	1.5
55.05510	26.6
57.07084	7.3
58.20503	1.3
65.03918	3.2
67.05504	37.7
67.05840	2.9
69.07067	44.7
71.04990	14.5
71.08632	3.1
71.30136	2.1
79.05492	24.2
81.07056	100.0
82.07426	1.7
83.04982	33.7
83.05465	2.6
83.08617	18.6
85.06529	2.4
91.05475	23.6
93.07043	54.2
93.07627	2.9
95.04982	3.8
95.08608	98.5
96.08981	2.9
97.10167	11.2
99.08117	4.1
105.07032	51.5
105.34486	1.6
106.07375	1.5
107.07856	3.6
107.08593	68.7
108.08942	2.6
109.06557	3.4
109.10154	86.9
110.10542	2.5
111.08125	2.0
111.11733	5.5
111.80574	1.6
113.09644	1.6
117.06986	8.9
119.08577	58.9
120.08934	1.9
121.06538	2.4
121.10138	53.5
122.10536	2.1
123.08040	2.3
123.11713	37.4
123.12555	2.5
125.09610	1.8
127.11198	23.8
128.06265	2.0
129.07025	2.0
131.08566	22.8
133.10132	46.6
135.11688	40.7
135.12668	2.5
137.13235	15.9
141.12758	1.9
142.07857	3.5
143.08569	7.0
145.10107	32.6
145.31517	1.5
146.10555	2.0
147.11691	36.5
149.13258	33.1
150.13597	1.7
151.14838	3.8
153.12778	5.9
155.08546	1.8
156.09390	2.2
157.10136	11.2
159.11693	34.4
160.12250	1.5
161.13255	34.1
163.14833	17.7
165.16457	2.5
167.07057	2.7
167.14336	1.5
169.10129	3.9
171.11627	8.4
172.12401	2.3
173.09492	1.7
173.13266	26.1
174.13742	2.7
175.14845	21.1
177.16379	14.3
183.11697	2.8
185.13242	7.6
187.14836	18.5
189.16393	16.6
191.17892	8.1
193.15950	2.1
195.17499	2.2
197.13373	2.2
199.14912	4.8
201.16397	13.0
203.14296	1.7
203.17961	20.4
204.18320	1.9
205.19582	2.9
211.14822	4.3
213.16475	4.6
215.17940	22.5
216.18277	1.8
217.19499	22.1
219.17517	2.2
219.20911	2.0
227.18031	5.6
229.19489	16.1
231.21066	7.4
233.19023	2.7
241.19537	3.2
243.21068	6.1
245.22762	1.7
247.20689	2.3
255.21184	4.0
257.22522	11.8
259.24353	5.6
269.22827	2.6
271.24216	3.6
275.23785	2.2
283.24243	2.8
285.18347	1.9
285.25677	9.0
287.23706	2.4
295.24484	2.0
301.25290	2.8
323.27240	2.7
329.28247	2.9
337.29047	2.6
339.30356	10.7
341.28540	3.0
343.30026	2.4
355.30063	2.5
369.31668	3.7
383.33292	2.1
407.25797	3.6
407.37067	9.8
407.42117	1.9
408.37213	2.3
425.26022	3.0
425.37823	82.5
426.38156	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.3
55.05511	31.2
57.07083	14.8
61.38122	2.5
67.05505	39.9
69.07069	67.9
70.07395	3.0
71.04992	4.5
71.08636	6.0
71.30064	3.2
79.05495	23.6
79.40880	2.4
81.07060	92.4
82.07388	3.6
83.04988	25.2
83.08618	22.8
85.10195	3.9
85.95815	2.2
91.05459	19.3
93.07042	44.5
93.34012	2.3
95.04977	3.8
95.08606	100.0
96.08934	3.2
97.10162	15.2
99.08083	3.1
103.05458	2.6
105.07036	45.1
107.08602	69.0
108.08933	3.8
108.62653	2.8
109.06515	6.9
109.10154	75.7
110.10488	3.7
111.04414	4.5
111.08014	2.7
111.11726	8.7
117.06998	11.9
119.08569	51.7
121.06538	4.7
121.10144	47.7
123.08063	5.6
123.11709	38.7
124.11933	2.6
127.11292	2.8
129.06985	6.0
130.34427	2.4
131.08582	13.9
133.10146	39.7
135.08089	5.8
135.11691	35.3
137.05998	3.2
137.09605	11.3
137.13257	16.3
139.11162	3.9
142.07831	5.1
143.08572	10.2
144.09311	3.0
145.10149	25.2
147.11679	31.7
149.09598	6.4
149.13242	22.6
151.07567	8.4
151.14857	3.5
157.10126	16.9
159.08064	4.5
159.11696	31.6
161.09689	4.3
161.13254	27.9
163.14851	13.0
165.09106	74.3
165.12772	4.5
166.09540	4.4
169.10158	2.9
171.11708	11.5
173.09686	3.2
173.13223	17.9
174.13777	2.8
175.07562	13.3
175.11205	4.8
175.14799	17.6
177.09151	13.1
177.16382	8.5
183.11681	5.2
185.13275	10.7
187.11180	3.3
187.14853	14.6
188.08231	3.8
189.09142	12.4
189.12778	3.4
189.16373	17.6
191.10632	6.3
191.17924	9.7
193.15831	3.3
197.13312	8.0
199.14850	9.4
201.09091	3.6
201.16425	10.2
202.09964	2.7
203.10643	21.8
203.17967	10.6
205.12201	6.2
211.14838	6.2
213.16367	10.9
215.18022	10.7
217.12248	19.4
217.19447	6.3
225.16451	5.5
227.17970	5.5
229.12274	4.2
229.19556	7.0
231.13776	10.8
231.21069	3.0
241.19537	3.5
245.15462	6.5
257.22568	5.9
269.22702	4.3
271.24149	3.5
287.23749	4.4
315.26910	3.4
351.30032	2.6
355.30005	3.8
407.36975	12.3
425.30341	15.9
425.38663	51.2
426.38794	5.0
432.72961	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03942	3.9
55.05507	29.0
57.07066	8.9
59.05001	3.2
65.56382	2.6
67.05507	35.0
69.07066	54.3
69.14834	9.3
69.15253	15.7
71.04992	22.1
71.08617	5.1
76.42224	2.7
79.05502	21.6
81.07056	100.0
82.07408	3.2
83.04980	29.8
83.08621	20.4
91.05466	17.6
93.07045	51.8
94.07383	2.6
95.04953	3.0
95.08604	99.5
97.10183	9.2
98.22993	12.9
99.08094	3.2
105.07025	50.3
107.08591	68.9
108.08862	2.9
109.10148	94.4
110.10504	3.2
111.11738	5.1
116.64714	2.5
119.08585	54.4
121.10131	61.1
122.10490	3.1
123.11700	39.1
125.09617	5.3
127.11208	47.1
131.08545	21.3
133.10139	44.7
135.11690	45.1
136.12022	3.3
137.13213	17.7
143.08594	8.5
145.10127	29.5
147.11682	44.1
149.13266	34.9
151.14824	3.1
153.12755	7.4
155.08522	3.6
157.10127	12.1
159.11688	35.1
161.13240	30.2
163.14813	20.4
164.37317	2.5
167.30518	3.0
169.10208	3.3
171.11771	8.3
173.13243	20.9
175.14812	21.0
177.16399	15.8
185.13264	9.1
187.14844	23.9
189.16354	18.2
191.18008	17.3
197.13290	3.6
199.14883	7.5
201.16373	24.4
203.17964	19.2
207.18004	3.1
211.14732	3.3
213.16351	6.7
215.17976	13.2
217.19537	12.9
227.17979	6.2
229.19539	14.6
230.19862	2.9
231.21094	9.8
241.19601	6.3
243.21100	8.1
251.04449	3.0
255.21078	4.3
257.22632	9.5
269.22534	3.1
275.23672	3.4
283.24063	5.7
285.25702	16.9
287.23746	4.0
297.25946	3.8
299.07767	3.2
301.25143	4.5
325.28891	3.2
335.63565	2.7
339.30475	24.0
343.29996	6.4
344.29965	3.0
355.29428	3.6
407.36679	12.4
425.26236	4.5
425.37787	95.9
426.38187	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3776
Annotation	Antiquol C
Peak:m/z	Relative Intensity
53.03945	4.8
55.01189	2.5
55.05509	25.9
57.07081	15.3
59.04971	2.1
61.12592	2.3
67.05505	39.1
67.15912	2.0
69.07069	56.3
71.04994	6.0
71.08654	2.8
79.05495	20.8
81.07053	95.5
83.04980	20.5
83.08619	24.5
85.10157	3.3
89.06020	2.6
91.05479	21.5
93.07042	55.3
95.04980	4.0
95.08607	100.0
96.08945	2.3
97.06554	4.3
97.10182	9.9
98.23365	4.5
105.07022	43.6
105.07665	3.7
107.08598	64.9
108.08931	3.5
109.06499	15.6
109.10155	80.9
110.10513	2.5
111.04518	2.6
111.08059	3.0
111.11749	9.3
117.07037	6.4
119.08580	51.2
121.10144	52.1
122.10452	2.8
123.08099	4.2
123.11713	35.9
125.09646	6.9
127.11205	2.4
128.06184	3.2
129.06985	3.1
131.08600	15.0
131.40616	2.2
133.10132	37.5
133.11063	3.3
135.11693	32.3
137.05984	5.0
137.09618	3.5
137.13254	16.2
143.08600	9.2
144.09384	2.0
145.10130	29.6
147.11668	30.9
149.13254	28.6
151.11156	2.4
151.14848	5.1
155.07007	3.0
155.08589	2.7
156.09396	3.2
157.10098	13.3
159.11707	33.1
161.09674	3.7
161.13243	26.3
163.14822	15.6
165.09167	9.7
165.20178	2.6
169.10164	4.4
171.11696	13.7
172.12379	3.2
173.13272	29.0
175.11183	2.3
175.14842	22.2
177.16336	10.9
179.14342	2.4
183.11726	5.9
185.13316	13.2
187.14853	14.7
189.16396	17.9
191.18005	8.1
197.13315	4.8
199.14928	10.0
201.16350	15.2
203.10852	2.3
203.17853	13.9
205.19580	6.8
211.14856	6.2
213.16446	7.6
215.18001	15.9
217.19530	12.3
219.17564	3.4
223.15015	2.7
225.16420	6.5
226.17188	3.5
227.17984	8.3
229.19540	7.5
231.21156	6.6
241.19579	6.8
243.21162	7.1
253.19603	2.9
255.21120	2.5
257.22583	11.2
259.24258	8.1
269.22729	6.0
271.24344	10.2
283.20517	2.5
283.24222	7.5
285.25906	6.2
287.23807	3.8
301.25256	6.1
313.25244	2.2
317.45868	2.3
323.27451	3.2
325.29221	3.4
351.30576	3.2
355.30231	2.7
369.31537	2.9
407.25693	3.7
407.36917	20.6
408.37244	4.3
425.30853	10.2
425.37885	91.6
426.38120	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.05511	21.3
56.53564	1.8
57.07074	10.0
57.88886	1.7
59.04984	3.0
65.03930	2.1
67.05502	26.4
68.32246	2.2
69.03426	5.3
69.07066	67.9
71.04987	2.8
71.08634	3.4
79.05487	19.8
81.07056	100.0
82.07413	2.5
83.04973	5.4
83.08614	22.4
91.05476	12.0
93.07042	54.2
94.07372	2.0
95.04964	3.0
95.08601	63.5
97.06535	8.0
97.10168	4.4
98.22520	2.7
105.07022	23.7
106.07387	2.0
107.08590	55.4
109.10154	88.5
110.10467	2.3
111.08089	4.7
111.11700	7.9
119.08580	26.6
121.10133	48.1
122.10500	1.7
123.11702	19.7
127.11191	2.5
131.08553	6.5
133.10118	28.3
135.08052	2.6
135.11688	45.2
137.13248	10.1
143.08527	2.4
145.10101	13.5
147.11693	20.7
149.13234	19.4
153.12721	31.3
157.10141	5.6
159.11697	14.6
159.65691	1.7
161.13255	17.6
163.14818	16.5
165.09131	3.9
171.11626	4.4
173.13242	12.2
175.14842	16.2
177.16386	8.3
178.16786	2.2
185.13245	3.2
187.14821	16.1
189.16415	8.5
191.17964	3.9
195.17386	2.8
199.14812	4.0
201.16380	8.4
203.18004	5.9
213.16353	2.7
215.18010	6.0
217.19597	5.2
227.17928	4.6
229.19469	4.9
231.21106	2.4
257.22641	47.1
258.22989	5.4
269.22690	2.2
271.24283	4.2
273.25751	4.5
281.22446	2.4
283.24210	4.4
407.36932	11.2
425.38217	36.1
426.38049	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3777
Annotation	Nervisterol
Peak:m/z	Relative Intensity
53.03953	5.2
55.05508	25.2
57.07064	11.6
59.05003	2.6
61.94717	2.6
67.05508	36.9
69.07065	49.7
79.05492	23.0
81.07053	94.6
82.07380	4.9
83.04987	15.5
83.08617	25.0
91.05477	18.3
93.07041	50.3
95.08606	100.0
96.08936	4.1
97.06487	4.3
97.10159	10.1
98.69397	2.6
99.08130	2.8
105.07030	41.1
107.08591	75.0
109.06519	5.2
109.10155	82.2
110.10496	4.9
111.08076	5.6
111.11735	6.2
116.45046	2.3
117.07004	2.6
119.08571	34.9
119.22915	2.2
121.10139	56.9
123.08041	3.7
123.11696	32.0
125.09617	10.5
128.01263	3.0
131.08527	6.4
133.10124	28.4
135.11700	40.4
137.13225	18.1
141.43483	2.7
143.08429	3.0
145.10095	11.9
147.11681	26.7
148.69754	2.6
149.13242	43.7
151.14807	6.6
157.10144	6.3
159.11714	15.2
161.13254	20.5
163.14818	31.4
165.12782	3.8
169.10141	3.5
171.11729	3.9
173.13271	11.7
174.13719	3.5
175.14789	12.8
177.16490	13.7
187.14856	9.2
189.16383	8.2
191.17921	9.4
197.13176	3.0
201.16304	7.6
203.17960	11.4
213.16397	3.6
215.18005	8.3
217.19505	9.7
229.19470	4.5
231.21046	11.0
233.22696	3.7
245.22649	4.4
253.35101	3.7
257.22610	3.2
259.24234	5.7
283.24179	4.4
285.25705	5.2
287.27380	4.6
299.27249	5.1
301.25296	3.1
325.28793	2.7
341.27881	2.8
407.36810	16.6
425.37857	86.8
426.37955	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3776
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03950	2.1
55.05505	19.7
57.07080	8.5
57.44331	1.3
63.00049	2.1
65.03928	1.9
67.05507	30.2
69.03431	2.7
69.07066	35.1
71.04971	1.5
71.08616	3.9
75.92909	1.3
79.05487	20.8
81.07055	100.0
81.22711	1.9
82.07380	2.9
83.04979	4.6
83.08622	14.7
85.06557	2.0
85.10213	1.3
91.05482	15.2
93.07038	45.0
95.04980	1.6
95.08605	84.9
96.08946	1.6
97.06496	2.5
97.10172	7.9
98.23344	4.5
104.41496	1.5
105.07035	34.0
107.08593	57.9
108.08931	2.3
109.10152	54.8
110.10500	2.5
111.08092	3.3
111.11702	3.4
117.07011	3.1
119.08583	42.0
120.08888	1.7
121.10137	57.6
122.10484	2.4
123.11707	35.4
125.09649	3.3
130.07851	1.7
131.08553	9.7
133.10133	24.6
135.07997	1.7
135.11684	35.0
136.12015	2.1
137.13255	18.0
139.11212	1.9
143.08565	4.7
145.10126	19.5
147.11682	23.7
148.12039	2.1
149.13246	19.3
151.14781	1.8
157.10106	5.9
159.11682	19.3
160.12352	2.9
161.13251	33.6
162.13565	2.0
163.14832	17.5
167.07051	16.2
171.11697	3.9
173.13242	18.9
175.14810	19.2
177.16379	13.1
179.14319	1.8
179.17940	2.6
185.13306	3.8
187.14796	13.0
189.16367	15.8
191.17950	8.4
192.18333	1.8
195.17415	4.9
199.14868	2.4
201.16397	6.8
203.17973	13.1
213.16394	4.2
215.17921	15.2
217.19514	9.1
227.18047	3.2
229.19496	22.1
230.19942	2.5
231.21089	12.5
241.19441	2.1
243.20995	2.7
255.20984	1.8
257.22589	3.0
259.24136	2.5
269.22760	1.8
271.24161	3.0
283.24173	3.1
285.25766	5.0
383.32861	1.8
407.36707	10.0
425.37747	70.3
426.38406	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01488	2.9
70.12045	11.5
85.02922	4.4
97.02853	3.4
109.02882	3.2
115.99767	3.0
121.06510	40.2
123.04402	4.4
127.03909	100.0
138.09158	14.7
139.03862	12.7
145.06110	4.3
146.96346	3.0
148.81494	2.9
191.03365	7.1
203.03609	3.0
230.48642	2.6
264.12289	8.8
275.05527	7.2
276.06161	3.4
287.05463	7.8
301.10770	3.6
426.18201	78.5
427.18713	8.3
430.32596	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73917	1.6
53.03950	2.5
55.01875	13.0
55.05510	40.8
57.03437	19.9
59.04986	3.4
59.81560	1.9
60.72818	1.7
61.02923	8.5
67.05506	5.1
69.03435	21.4
69.07066	17.5
70.06591	3.8
70.51384	3.9
71.01340	3.2
71.04971	2.2
73.02919	27.9
79.05502	3.8
81.03413	6.4
81.07072	4.6
81.42335	1.7
83.04964	2.0
83.08608	3.0
85.02903	55.6
86.74491	2.1
87.04482	3.4
91.03957	2.0
91.05466	3.1
93.07057	5.1
95.04974	2.5
95.08630	8.5
96.04492	10.4
97.02893	31.6
97.06535	3.2
97.10168	100.0
99.04492	2.8
103.03932	2.0
105.07045	4.3
107.08594	4.9
109.02890	5.2
109.10160	4.0
114.05503	13.6
115.03929	16.4
115.11201	78.0
116.11565	2.0
119.08559	3.2
121.10139	4.7
123.04423	3.3
123.08098	2.4
123.11774	2.0
127.03910	16.0
132.06534	2.6
133.04970	27.9
133.10110	4.0
139.03860	2.1
139.11160	2.8
145.04945	19.1
145.10083	1.9
150.07596	4.9
161.09549	2.0
163.03809	2.2
163.06026	8.3
163.11301	2.5
167.07037	2.4
198.06836	2.2
211.13304	3.8
213.09145	3.0
223.13231	3.8
229.14394	5.3
241.07050	2.0
241.14348	2.9
247.13226	2.2
265.14218	2.5
313.07141	3.6
325.07169	5.1
384.15457	5.7
409.16592	3.3
415.56946	2.0
427.18710	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73917	1.6
53.03950	2.5
55.01875	13.0
55.05510	40.8
57.03437	19.9
59.04986	3.4
59.81560	1.9
60.72818	1.7
61.02923	8.5
67.05506	5.1
69.03435	21.4
69.07066	17.5
70.06591	3.8
70.51384	3.9
71.01340	3.2
71.04971	2.2
73.02919	27.9
79.05502	3.8
81.03413	6.4
81.07072	4.6
81.42335	1.7
83.04964	2.0
83.08608	3.0
85.02903	55.6
86.74491	2.1
87.04482	3.4
91.03957	2.0
91.05466	3.1
93.07057	5.1
95.04974	2.5
95.08630	8.5
96.04492	10.4
97.02893	31.6
97.06535	3.2
97.10168	100.0
99.04492	2.8
103.03932	2.0
105.07045	4.3
107.08594	4.9
109.02890	5.2
109.10160	4.0
114.05503	13.6
115.03929	16.4
115.11201	78.0
116.11565	2.0
119.08559	3.2
121.10139	4.7
123.04423	3.3
123.08098	2.4
123.11774	2.0
127.03910	16.0
132.06534	2.6
133.04970	27.9
133.10110	4.0
139.03860	2.1
139.11160	2.8
145.04945	19.1
145.10083	1.9
150.07596	4.9
161.09549	2.0
163.03809	2.2
163.06026	8.3
163.11301	2.5
167.07037	2.4
198.06836	2.2
211.13304	3.8
213.09145	3.0
223.13231	3.8
229.14394	5.3
241.07050	2.0
241.14348	2.9
247.13226	2.2
265.14218	2.5
313.07141	3.6
325.07169	5.1
384.15457	5.7
409.16592	3.3
415.56946	2.0
427.18710	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.6
57.03435	11.8
61.02915	1.6
69.03427	3.1
69.52901	8.7
71.04996	69.9
73.02924	3.0
75.04472	4.7
81.03431	2.1
83.04985	10.3
84.46548	1.3
85.02909	100.0
86.03232	1.6
87.04469	3.9
97.02885	5.4
105.07092	1.5
111.04446	6.1
115.72778	1.6
123.04543	1.4
127.03923	4.8
129.05475	34.9
135.08022	2.4
136.08478	1.5
145.04982	5.2
147.06519	22.3
157.70699	1.4
163.05984	1.6
164.09216	5.1
167.08867	1.5
180.49963	1.5
273.10071	1.6
273.41568	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.0
55.05515	1.5
55.85379	1.1
56.96571	2.3
57.03437	1.3
57.07066	1.0
58.49926	1.2
67.05496	2.9
69.03429	4.0
69.07061	2.6
70.32365	3.0
79.03571	0.9
79.05520	1.2
81.07067	2.4
85.02908	7.6
85.06526	1.2
91.05506	1.2
93.07016	2.1
95.05008	1.3
95.08591	3.5
96.08147	1.7
97.02895	3.1
98.96961	0.9
98.97585	15.5
99.08101	2.4
105.07033	1.2
107.08583	1.8
109.10166	6.6
110.97567	2.0
111.08077	1.2
116.98608	4.6
119.08582	2.9
121.02867	1.7
121.10159	3.5
123.04428	80.8
123.11716	3.3
124.04757	3.0
124.06684	1.8
124.07589	32.8
124.08471	2.3
125.07951	1.2
127.03883	1.2
128.98573	1.7
132.00494	1.0
133.10126	3.1
135.11673	5.8
137.09621	1.7
142.08633	11.2
147.04420	2.2
151.11176	1.3
158.99683	5.3
165.16376	2.7
175.14845	3.4
177.00758	3.9
186.14058	1.1
193.15865	11.4
211.16925	10.0
219.01732	5.0
221.04715	1.4
225.17203	1.0
229.18007	4.1
236.12857	1.3
237.02881	3.6
246.11255	15.5
264.12308	100.0
265.12643	6.0
294.91473	1.2
326.13467	1.2
367.10422	4.5
409.18393	4.4
426.09229	1.4
426.13348	2.1
426.18762	11.1
427.19507	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1023
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
51.02378	0.7
53.03944	0.5
55.01870	4.5
65.03942	2.0
67.01864	0.4
67.05505	1.6
68.99786	9.5
69.03427	0.9
71.01359	0.5
71.22857	0.3
77.03931	1.6
79.01856	0.5
79.05482	1.1
81.03424	0.6
81.07067	0.4
83.01370	0.3
83.04976	1.1
85.02908	1.2
85.48263	0.3
89.03917	0.8
91.05473	1.7
93.03403	1.0
93.07022	0.3
95.04978	2.6
97.02895	0.9
98.97637	0.3
99.04467	0.3
103.05445	0.6
105.03407	1.8
105.04507	0.6
105.07033	0.7
105.40524	0.3
107.01360	0.4
107.04951	2.8
109.02867	1.3
109.06533	0.6
111.00801	4.0
111.04448	3.9
112.49997	0.2
115.05466	1.2
117.03391	0.8
117.07006	0.7
119.04942	2.5
121.02872	4.3
121.06514	0.9
123.04429	56.6
124.04744	1.6
125.02349	0.4
127.03914	4.2
128.06223	0.6
129.06987	0.8
131.04926	1.7
133.02852	0.4
133.06465	0.7
135.04416	17.2
136.04811	0.3
137.02333	2.2
137.06004	2.5
139.03899	100.0
140.04228	3.6
141.01823	0.8
141.06985	0.7
143.04921	0.8
145.02817	1.2
145.04991	0.4
145.06476	1.9
147.04408	6.8
149.02344	3.0
149.05978	2.1
150.07782	1.9
151.03915	6.4
153.01854	1.5
153.06999	1.3
155.04924	0.5
157.06491	1.0
159.04431	2.3
160.54478	0.3
161.02342	0.9
161.05969	6.1
162.06456	0.4
163.03903	31.5
164.04245	0.9
165.01828	0.9
165.05481	5.9
165.06870	0.3
167.03404	16.9
167.04771	0.6
169.06488	1.1
171.04361	0.8
173.02365	0.4
173.05977	2.8
175.03899	9.6
175.07487	0.5
176.04271	0.4
177.01808	0.5
177.05469	6.6
178.05879	0.3
179.03391	10.6
180.03677	0.4
181.04927	0.7
181.06474	2.2
183.04416	0.8
185.05940	2.4
187.03885	5.0
187.07500	0.5
188.04538	0.5
189.01852	0.4
189.05457	6.6
190.06012	0.3
191.03391	41.2
192.03775	1.5
193.04967	9.0
194.05324	0.5
197.06023	1.7
199.03883	0.6
199.07567	0.7
201.05467	11.8
202.06027	1.0
203.03392	25.7
203.07121	1.0
204.03722	1.0
205.04945	4.7
209.06006	1.0
211.03839	0.4
213.03525	0.5
213.05478	4.8
215.03433	3.2
215.07042	1.1
216.04105	0.3
217.04950	4.1
219.06525	1.1
221.04401	0.6
225.05521	1.1
227.03316	0.7
227.07014	1.4
229.04959	19.0
230.05496	2.0
231.06488	2.3
233.04445	18.0
234.04776	1.0
235.02472	0.7
237.05409	1.3
241.04991	4.0
243.06531	1.7
245.04449	12.6
246.04779	0.6
247.06017	18.5
247.13196	0.6
248.06328	0.7
251.05499	5.9
253.04898	0.9
255.06520	4.6
257.04443	30.0
258.04996	3.5
259.06009	12.9
260.06360	0.7
265.04831	0.7
265.14389	0.6
269.04453	5.6
270.04959	0.3
271.06024	6.6
271.08948	0.4
272.06326	0.5
273.07562	0.8
273.99115	0.3
275.05496	46.1
276.05801	2.6
283.06003	15.7
283.09189	0.6
284.06351	1.0
287.05487	61.6
288.05777	5.0
289.07056	5.8
297.07480	0.5
299.05524	4.4
301.07074	8.7
302.07336	0.6
307.05743	0.5
323.09332	0.5
325.07104	0.8
339.08609	0.3
341.10104	0.6
343.07880	0.3
349.07147	0.4
367.07986	0.9
379.07867	1.3
391.08160	2.4
392.08176	0.3
409.09155	26.8
410.09497	2.4
427.10590	2.6
427.15677	0.8
427.20215	0.3
428.10318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
53.03936	0.5
55.01871	4.6
55.05525	0.4
57.03441	0.3
65.03939	1.1
67.01868	0.6
67.05509	1.7
68.99789	8.7
69.03428	1.4
69.31863	1.1
69.32288	0.8
71.01341	0.4
77.03923	1.2
77.19913	0.3
79.01891	0.4
79.05491	1.4
81.03407	0.9
81.07061	0.4
83.01346	0.3
83.04978	1.1
85.02901	1.6
89.03921	0.7
91.05492	2.1
93.03414	1.2
93.07047	0.6
95.04964	3.1
95.08586	0.3
97.02861	1.2
98.97613	1.2
103.05460	0.6
105.03391	2.0
105.07039	1.4
107.04960	2.5
109.02891	1.2
109.06523	1.1
111.00812	4.1
111.04449	4.4
115.05472	1.1
116.98610	0.4
117.03383	0.4
117.07037	0.7
119.04942	2.2
119.08605	1.0
121.02876	3.4
121.06496	1.1
123.04430	52.5
124.04736	1.5
125.02405	0.3
127.03896	3.2
127.04641	0.3
128.06177	0.4
128.64630	0.2
129.06995	0.9
131.04916	2.0
131.08601	0.5
133.02856	0.6
133.06479	0.6
135.04417	16.5
135.08049	1.0
136.04797	0.7
137.02342	1.4
137.05992	3.1
137.14507	0.2
139.03899	100.0
140.04237	2.9
141.01836	0.8
141.06984	1.0
143.04903	0.6
143.08578	0.5
145.02856	0.9
145.06493	1.3
145.10173	0.5
147.04410	6.0
147.08015	0.4
149.02342	2.6
149.05984	1.9
150.07742	1.0
151.03900	6.6
153.01830	0.9
153.05746	0.5
153.07004	1.8
155.04886	0.9
157.06488	1.0
157.10217	0.4
158.07353	0.3
159.04437	1.5
159.08092	0.7
159.11694	0.9
161.02307	0.7
161.05963	3.8
161.09659	0.5
163.03903	26.2
164.04266	0.8
165.01843	0.9
165.05490	5.0
165.06828	0.5
165.09142	0.6
167.03403	13.2
167.04810	0.5
168.03662	0.4
169.06551	0.9
171.04456	0.8
173.02284	0.3
173.05977	2.3
173.09453	0.3
173.13217	0.3
175.03915	7.9
175.07535	0.8
175.11179	0.6
176.04309	0.4
177.05475	5.9
178.05846	0.3
179.03400	10.4
180.03751	0.5
181.04948	1.0
181.06493	1.8
183.04402	0.6
183.11652	0.3
185.05946	2.4
187.03906	4.0
187.07516	0.6
187.11156	0.5
189.05460	5.7
189.12671	0.2
190.05852	0.4
191.03391	31.8
192.03749	1.1
193.04974	7.5
195.04453	0.4
197.05952	1.4
199.03947	0.7
199.07576	1.0
200.04620	0.3
201.05461	9.8
201.12593	0.3
202.05942	0.9
203.03389	19.6
203.07115	0.9
203.10730	0.5
204.03798	0.6
205.04973	4.3
206.05394	0.3
209.05988	1.1
211.03966	0.4
211.11134	0.3
213.05479	4.0
215.03419	2.5
215.07031	0.8
217.04980	3.5
217.12274	0.4
219.06398	0.6
221.04372	0.4
225.05467	0.6
227.03310	0.6
227.07034	0.9
228.07355	0.3
229.04962	15.4
230.05492	1.1
231.06589	1.3
233.04442	14.5
234.04858	0.5
235.02538	0.4
235.13289	0.3
237.03004	0.3
237.05342	1.3
237.95787	0.3
241.04953	3.4
242.05634	0.3
243.06474	0.6
245.04451	10.8
246.04819	0.6
247.06029	15.4
247.13263	1.5
248.06381	0.8
251.05481	4.7
252.05991	0.4
253.04953	0.6
255.06537	4.6
257.04440	23.0
258.05078	2.9
259.06006	10.3
260.06323	0.5
265.05133	0.5
265.14319	3.0
269.04401	4.4
271.06000	5.2
272.06293	0.3
273.07523	0.6
275.05493	35.8
276.05823	2.1
279.06625	0.4
281.04712	0.3
283.06015	14.6
284.06369	0.8
287.05487	52.7
288.05814	3.6
289.07022	2.7
297.07550	0.5
299.05478	4.2
301.07068	9.1
302.07321	0.6
307.05457	0.4
323.09018	0.4
325.07022	0.6
341.10452	0.3
344.99893	0.3
367.08038	0.7
379.08096	0.7
383.11136	0.3
391.07953	1.5
409.09137	20.9
410.09503	1.9
427.10162	1.6
427.15073	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.4
55.01873	0.4
55.05505	1.5
56.02663	1.6
57.03438	0.6
65.03920	0.4
67.05518	0.6
68.99793	2.2
69.03401	0.4
70.65575	0.7
71.01360	0.7
71.04995	24.3
72.14304	0.3
79.05481	1.0
81.03423	6.2
81.83794	0.3
83.04974	0.8
85.02888	0.7
85.06546	2.9
91.05455	0.7
95.05001	0.6
97.02894	0.5
99.04462	4.9
105.03381	0.6
107.04958	0.6
107.08601	0.6
109.02897	2.5
109.10107	0.4
111.00818	0.9
113.06010	12.3
121.02878	7.2
121.06570	0.4
126.03143	4.2
127.03925	8.2
129.07047	0.5
133.02838	0.5
135.08046	2.0
137.02345	1.4
137.05946	0.4
141.05470	40.0
142.06177	1.1
145.06476	0.5
147.04434	1.2
149.33368	0.3
151.07559	0.3
153.01831	6.4
157.06506	0.6
161.06000	0.5
163.07544	0.6
165.01860	2.6
173.06024	0.5
177.09074	0.4
179.75768	0.4
183.02924	0.8
185.05992	1.0
187.11256	0.7
201.05431	0.4
213.05403	2.3
214.89351	0.4
219.13712	0.4
229.04988	1.2
231.06396	0.8
231.13580	0.4
241.04933	1.2
247.13261	0.4
257.04474	7.2
258.05157	1.7
259.06046	0.4
265.14337	7.1
269.04443	0.6
285.04001	0.6
286.04767	0.6
287.05496	100.0
288.05832	5.3
367.08060	0.7
385.08157	0.3
391.15012	0.4
395.07437	0.9
399.10876	0.4
409.09290	0.4
417.29462	0.3
427.10275	0.7
427.17749	0.5
427.22678	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
56.77502	0.4
57.03431	1.7
61.02931	0.5
66.19260	0.5
67.05489	0.5
68.99806	1.3
69.03429	3.3
69.07739	4.1
70.06586	0.7
71.05006	0.5
72.08152	0.8
73.02910	3.7
79.05495	0.6
81.03441	0.6
81.07056	0.6
83.04993	0.5
85.02894	3.3
87.04508	0.4
91.05470	0.8
93.07007	0.6
95.04974	1.0
97.02893	4.5
97.06582	0.5
98.62083	0.5
99.08087	3.5
105.07050	1.7
111.00819	0.9
111.04465	1.2
115.03918	2.2
117.09115	2.2
117.14630	0.5
119.08539	1.0
121.02856	0.5
121.06485	0.4
122.09692	1.0
123.04429	7.2
127.03945	2.1
133.04959	4.1
133.10124	0.6
135.04425	1.9
136.06296	0.5
137.05936	0.5
139.03889	11.2
145.04984	1.0
147.04416	1.2
150.07745	4.6
151.03899	1.2
157.04883	0.5
161.05937	0.7
161.09656	1.1
163.03914	2.9
163.06194	0.6
165.05496	0.7
167.03389	2.7
175.03928	1.4
175.11172	0.5
176.07111	0.8
177.05525	1.0
179.03384	1.0
185.04239	0.7
187.04102	0.6
189.05472	0.8
191.03391	4.2
193.04907	1.4
201.05481	1.5
203.03423	3.5
203.05098	0.8
205.04910	0.9
213.05524	0.6
215.03432	0.6
217.01819	0.4
217.05040	0.8
228.17801	0.5
229.04965	2.1
229.06981	0.5
233.04457	1.6
241.04950	0.7
245.04430	1.1
247.06004	2.1
247.13361	1.7
251.05330	0.8
257.04425	3.3
259.05988	1.4
259.08298	0.5
265.06879	1.0
265.10397	0.8
265.14484	0.6
269.04453	0.7
271.06082	0.9
275.05457	5.5
275.08221	0.5
283.05978	1.6
287.05487	8.5
295.11520	0.9
299.05405	0.7
301.07080	1.3
409.09036	3.7
409.17966	0.6
427.12073	100.0
427.19186	20.8
428.12537	8.0
428.18723	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	42.0
57.07075	15.0
67.05500	53.5
69.07070	15.8
69.09924	53.0
69.10353	51.3
78.56215	11.2
79.05505	47.1
81.07056	76.8
82.07430	11.2
83.04984	48.7
84.05357	11.2
91.05479	49.1
93.07051	84.5
95.08601	100.0
97.06532	14.5
97.10136	12.6
105.07045	81.4
107.08584	62.3
109.06480	15.8
109.10171	60.1
111.08113	18.1
117.06938	17.1
119.08565	83.2
121.06492	28.1
121.10131	47.6
123.08031	27.9
125.09560	17.4
129.07014	17.9
131.08592	38.4
133.06416	15.9
133.10095	58.9
135.11688	33.2
137.05975	17.8
137.09622	17.6
143.08551	35.6
144.09357	13.0
145.10120	50.9
147.08121	19.6
147.11678	38.9
155.08546	27.7
157.10149	52.9
159.11710	36.6
161.09630	29.4
161.13257	24.5
162.08653	13.2
169.10112	30.0
171.11697	47.0
173.13173	13.1
175.11177	18.9
183.11685	18.3
184.08720	12.4
185.13220	22.3
187.14796	18.4
189.12788	17.6
197.13275	27.9
199.14833	20.9
201.12869	14.6
209.13292	22.8
213.12701	12.0
221.13341	16.6
225.12813	18.6
239.53041	12.4
249.18561	21.2
251.17912	19.3
269.18909	18.4
277.19489	13.4
287.20068	55.7
316.83820	11.7
367.26260	21.6
369.24222	13.3
372.49872	14.1
391.26224	33.8
395.14685	27.2
409.27481	70.0
427.15738	12.9
427.28165	84.7
427.37219	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82174	0.2
55.01875	0.7
56.67272	0.3
57.04557	0.7
61.74793	0.2
65.89339	0.3
68.99773	0.9
69.03419	0.3
70.13848	0.7
79.05471	0.3
88.51985	0.2
94.04065	1.7
96.05636	0.2
97.02838	0.3
98.29068	0.3
100.64438	0.2
111.00800	0.3
121.02870	0.4
123.04433	4.6
123.06689	1.1
133.05098	0.4
135.04396	1.2
135.05374	0.4
137.02312	0.2
137.05989	0.2
139.03902	7.3
147.04401	0.6
148.06194	0.3
149.06038	0.2
150.07750	100.0
151.03838	0.5
151.08195	2.3
155.08217	0.2
157.06424	0.2
161.05956	0.3
163.03893	2.0
165.05527	0.4
167.03430	1.1
173.73332	0.2
175.03885	0.3
177.05469	0.4
179.03387	0.8
187.03905	0.4
189.00085	0.2
189.05460	0.6
189.90446	0.2
191.03401	2.7
193.04997	0.6
201.05463	0.7
203.03362	1.4
205.04921	0.4
217.04800	0.3
229.04999	1.1
233.04391	1.0
241.04877	0.3
245.04410	1.0
247.05923	1.0
251.05582	0.3
255.06541	0.3
257.04471	2.2
259.06064	0.9
269.04459	0.5
271.06030	0.3
275.05508	2.6
282.11914	0.6
283.06000	1.0
285.04074	0.2
287.05554	4.3
295.11496	15.5
296.11755	0.9
301.07056	0.7
401.59412	0.2
409.09116	2.5
427.09937	0.8
427.19727	2.0
428.76227	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39566	0.7
55.01846	0.9
59.18798	0.6
69.03429	0.6
69.43092	2.4
69.43514	2.4
71.40918	0.7
74.62920	0.6
81.07063	0.7
91.05487	1.0
93.07035	0.9
95.08587	0.7
98.23386	0.9
98.47859	0.6
105.07025	0.8
114.05482	1.5
131.08540	0.9
137.05943	1.0
139.03896	0.8
163.03983	0.7
169.31993	0.7
185.04222	11.5
221.11490	54.2
222.11884	3.4
230.14909	0.7
265.10483	6.2
266.10800	0.9
269.88965	0.6
275.05441	0.9
383.16757	100.0
384.17114	7.7
427.18420	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04826	7.3
69.87902	0.9
70.47915	0.7
84.68614	0.6
86.16188	0.8
95.08594	0.9
98.22634	1.5
118.47193	0.8
123.04431	1.0
144.07988	0.9
151.85345	0.7
155.01094	0.7
212.31406	0.8
233.14394	0.9
348.24594	1.0
363.11990	1.6
379.11670	1.2
394.14026	3.2
409.16208	37.6
410.16476	3.5
427.17313	100.0
427.26706	3.4
428.17657	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.8
55.01863	5.1
55.05513	2.3
57.03431	0.9
59.40442	0.7
65.03936	1.8
67.05500	2.3
68.99785	7.5
69.03426	4.4
69.07050	0.7
69.47222	4.1
70.06591	9.2
71.01336	1.0
71.04973	0.8
72.08154	11.5
77.03938	1.9
79.05502	2.1
81.03435	1.2
81.07068	1.7
83.04998	2.0
85.02895	4.9
88.03967	1.1
91.05495	3.7
93.07066	2.2
95.04953	4.2
95.08598	1.0
97.02912	2.5
97.06509	1.3
99.08118	2.6
103.05480	1.5
105.03399	1.5
105.07012	4.8
107.04975	3.0
109.02906	1.7
109.06550	2.0
111.00811	4.6
111.04443	6.2
115.03959	0.9
115.05457	0.8
115.07580	1.4
116.07088	2.2
116.07883	1.1
117.09144	3.9
118.23166	1.0
119.04971	2.3
119.08602	3.0
121.02840	4.9
121.06524	2.4
123.04422	56.9
123.08106	1.3
125.07122	1.5
127.03908	4.3
129.07013	2.2
131.04956	1.5
131.08606	1.6
133.06491	1.4
133.10094	0.9
135.04414	15.9
135.05385	1.3
135.08078	2.3
137.02350	1.3
137.06006	2.7
139.03896	100.0
140.04254	2.5
141.01822	1.3
141.07010	1.3
143.08641	1.0
145.05026	1.1
145.06474	2.0
145.10088	1.0
147.04390	6.5
147.08092	1.7
149.02374	2.8
149.06020	2.3
150.05455	0.9
150.07780	3.2
151.03909	6.8
152.04347	0.8
153.01891	1.1
153.05742	0.8
153.06949	1.8
157.06514	1.0
157.10202	1.1
159.04388	1.7
159.08057	2.0
159.11742	1.7
161.02386	1.0
161.06017	5.8
161.09654	2.4
163.03900	26.0
165.05481	5.6
165.09068	1.0
167.03394	15.3
168.03772	1.2
169.06541	0.9
171.04393	1.5
173.06081	2.2
173.09587	0.9
175.03880	10.3
175.07605	2.3
177.05447	6.0
179.03375	11.4
181.05069	1.2
181.06502	1.8
185.06007	1.8
185.09305	3.4
187.03862	4.5
187.11223	1.5
189.05449	6.6
191.03383	40.5
192.03760	2.3
193.04962	9.1
193.06447	1.0
196.06088	2.0
197.06128	1.7
201.05470	12.5
201.07117	1.2
201.12859	1.8
203.03386	23.8
203.07018	1.1
203.10727	2.5
205.04980	4.3
213.05559	3.6
213.08820	2.3
215.03473	2.1
215.07054	1.1
215.14023	1.1
217.04919	4.1
217.12334	1.5
225.05560	1.0
229.04945	17.1
229.07176	1.0
229.12318	2.6
230.05530	1.4
231.06581	3.2
233.04433	18.5
234.04877	1.2
237.05623	1.0
241.04912	4.3
243.06535	1.2
245.04373	12.8
247.06018	16.0
247.13229	6.0
248.06383	1.2
251.05504	6.2
255.06419	4.4
257.04434	31.7
258.05075	2.8
259.05978	10.1
265.14319	7.8
269.04416	5.2
270.04721	1.0
271.05981	5.0
275.05496	41.3
276.05945	2.1
283.06018	14.4
287.05484	57.6
288.05817	4.3
289.07193	3.2
299.05463	3.9
301.07071	8.8
312.15622	3.3
335.97931	0.8
367.08057	0.9
391.08115	1.5
409.09113	25.2
410.09628	1.9
427.10489	3.3
427.19568	44.6
428.20023	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.6
55.01874	7.8
61.02896	5.9
62.45189	2.8
65.03935	4.8
67.05505	9.4
68.99802	10.4
69.03103	4.0
69.03430	26.5
70.46801	6.6
72.66772	2.8
79.05485	5.4
81.03414	7.3
81.07063	7.3
83.04976	13.9
85.02911	34.9
91.05492	15.1
93.07042	13.3
95.04960	13.5
95.08615	7.8
97.02888	11.8
97.06487	3.9
105.07026	24.6
107.04919	4.3
107.08583	4.9
109.02873	6.9
109.06525	14.1
111.00832	5.1
111.04424	21.4
111.08114	3.4
113.06020	6.9
115.05492	3.9
117.07040	5.2
119.08574	24.6
121.02855	9.6
121.06525	20.2
123.04449	39.0
123.08084	6.3
127.03940	10.4
129.06998	5.3
131.08562	11.0
133.06456	4.7
133.10159	6.1
135.04404	13.8
135.08044	26.2
137.05988	6.6
137.09706	3.7
139.03908	100.0
141.06970	4.1
142.07762	4.8
143.08536	7.2
145.04982	7.6
145.06500	6.2
145.10123	12.0
147.04477	7.4
147.08066	13.0
147.11707	5.3
150.07751	7.9
151.03992	5.7
153.06955	4.3
155.08629	4.1
157.06476	5.9
157.10132	7.1
158.07300	6.9
159.04343	3.6
159.08070	12.3
159.11678	13.6
161.05981	34.8
161.09637	16.3
162.09592	3.3
163.03905	86.1
163.07622	6.3
164.04330	4.2
165.05466	5.8
165.09111	14.2
167.03413	8.8
169.06578	3.2
172.08807	7.8
173.05995	6.1
173.09625	7.0
173.13280	6.9
175.03909	9.2
175.07561	23.9
175.11172	12.1
177.05487	5.0
179.03369	7.5
183.11740	5.6
187.03938	5.1
187.11214	14.4
189.05418	4.9
189.09113	4.5
189.12752	5.5
191.03394	25.1
193.05023	5.0
197.05969	6.5
199.11279	5.5
201.05437	11.6
201.12770	16.2
203.03448	16.4
203.05196	4.0
203.07155	3.9
203.10709	32.0
205.05014	5.3
211.11200	11.2
213.05478	8.7
217.04774	3.4
217.12231	12.1
219.13826	4.6
229.04919	27.9
229.12183	13.0
231.06540	3.7
233.04515	8.7
241.05029	6.7
243.06532	4.5
245.04428	11.9
247.06059	40.6
247.13283	45.7
248.06279	3.7
251.05779	3.1
255.06528	4.0
257.04355	19.8
259.05887	33.0
259.07837	4.8
265.14368	77.3
271.06064	10.0
275.05536	32.4
283.05963	15.3
287.05505	56.1
288.05917	3.6
289.07104	48.3
301.07001	7.6
391.07904	3.7
409.09290	36.7
410.09482	3.7
427.10416	6.5
427.15665	60.0
428.15787	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.4
67.05515	1.2
69.07063	0.7
71.31661	0.8
77.95121	0.6
79.05476	2.0
81.07059	2.3
83.04991	1.6
91.05475	1.4
93.07039	3.6
95.04945	0.8
95.08609	3.4
105.07034	3.9
107.08582	4.1
109.06548	0.9
109.10172	1.3
111.08002	0.8
117.06998	0.9
119.08604	4.1
121.06536	1.0
121.10155	1.9
123.08061	0.7
123.11708	0.9
131.08585	2.1
133.10135	3.2
135.08043	0.8
142.07742	0.7
143.08585	1.2
145.10143	2.4
147.08096	0.8
147.11670	3.4
149.09689	0.8
155.08638	0.8
157.10155	2.3
159.08133	1.2
159.11729	1.8
161.09547	0.9
161.13348	1.0
163.11324	0.6
167.10687	1.0
169.10155	1.2
171.11725	1.6
173.09702	1.1
173.13234	1.0
175.11249	1.1
177.12628	0.8
183.11697	1.1
185.13329	0.9
189.12762	1.4
193.12112	0.6
195.11595	0.8
201.12784	1.3
207.11761	0.5
207.13824	1.1
213.12714	1.1
227.14249	0.7
244.56226	0.6
245.13344	0.7
251.14299	1.1
269.18988	1.0
284.84146	0.5
331.20502	1.1
385.26746	0.6
391.26196	1.8
409.27441	1.4
412.18710	2.4
427.20938	100.0
428.21225	10.3
428.26495	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01858	1.4
55.05276	0.7
55.05514	6.3
65.03945	1.4
67.05508	9.6
67.12082	0.6
69.03434	3.7
69.07066	3.7
79.05493	10.9
81.06577	1.5
81.07056	31.0
83.04983	5.4
83.08617	0.8
84.05264	0.7
85.06561	0.9
91.05476	9.8
91.16486	0.6
93.07039	11.2
94.07397	0.9
95.04949	4.1
95.08604	14.4
95.09167	1.3
97.06542	3.2
105.07028	16.7
107.04935	1.5
107.08588	13.1
108.08960	0.9
109.06510	20.8
109.10147	6.3
111.04430	1.6
111.08069	1.6
115.05473	1.5
117.07018	2.7
119.08576	13.0
120.08850	1.3
121.06499	6.3
121.10136	5.0
123.08068	14.4
123.11700	2.6
125.09616	2.7
128.06215	2.7
129.07018	4.5
130.07800	1.1
131.08556	5.4
133.06499	1.2
133.10117	10.2
135.08047	8.0
135.11693	4.3
137.09602	1.5
137.13268	0.8
141.07022	2.1
142.07788	4.3
143.08546	6.8
145.06511	1.7
145.10103	7.2
146.07321	1.0
147.08041	6.0
147.11644	4.0
149.09625	5.0
151.11229	0.9
152.06262	0.9
153.07025	1.4
155.08565	6.1
156.09344	3.0
157.06506	3.1
157.10135	10.4
158.10545	0.8
159.08046	3.0
159.11684	5.1
160.08766	1.4
161.09619	12.1
161.13261	2.7
163.11195	5.6
165.06967	3.2
166.07796	2.1
167.08585	3.5
168.09300	1.3
169.06528	0.8
169.10130	6.1
171.08037	2.8
171.11694	7.1
172.08888	0.7
173.09563	3.1
173.13275	3.2
175.11208	6.7
175.14842	0.7
177.12819	1.4
178.07747	1.7
179.08528	5.5
180.09328	1.8
181.06519	1.9
181.10121	7.0
182.11000	1.6
183.08067	1.6
183.11670	4.6
184.12111	0.7
185.09647	2.3
185.13232	2.6
186.10326	0.9
187.11226	2.8
187.14754	0.8
189.12750	8.1
190.07718	1.3
191.08597	2.2
192.09378	2.1
193.10120	5.8
194.07237	1.0
194.10870	2.3
195.08061	3.8
195.11676	5.3
196.08788	1.0
196.12300	1.0
197.09584	4.1
197.13243	3.4
199.11185	6.6
201.12662	2.6
203.08522	2.4
204.09387	2.2
205.10129	4.2
206.10847	3.1
207.08118	2.2
207.11703	7.4
208.08839	2.4
208.12386	2.4
209.09619	7.0
209.13228	5.6
210.10263	1.4
211.11143	2.0
211.14859	2.0
213.12761	3.3
215.08609	1.7
216.09328	2.7
217.10123	4.6
217.12140	1.3
218.10945	2.8
219.08264	1.1
219.11703	6.3
220.08885	0.8
220.12436	3.5
221.09724	4.9
221.13243	7.4
222.10355	1.3
222.13948	1.2
223.11185	6.1
223.14764	5.2
225.12717	2.0
227.14339	2.7
228.09428	1.4
229.10124	3.6
229.15871	0.8
230.10889	2.8
231.08102	1.1
231.11678	6.0
231.13751	1.0
232.08833	1.8
232.12318	3.4
233.09660	3.5
233.13194	7.5
234.10353	1.3
234.13913	2.0
235.11137	4.6
235.14813	3.6
236.11975	1.2
237.12801	3.9
237.16403	1.6
238.13358	1.1
239.14362	4.4
240.09299	0.8
241.10136	1.0
241.15985	1.9
242.10876	1.6
243.11639	6.1
244.12425	3.5
245.09628	2.7
245.13237	8.3
246.10400	1.6
246.13921	2.7
247.11136	7.0
247.14748	5.9
248.11916	1.9
248.15555	0.9
249.12730	6.0
249.16290	1.6
249.18498	0.7
251.14293	14.4
251.17134	0.9
251.18037	1.0
252.14668	1.0
253.15883	1.9
254.10931	0.8
255.11629	1.6
256.12540	2.4
257.09521	0.9
257.13126	4.5
258.10300	1.1
258.14005	2.9
259.11206	4.6
259.14728	5.3
260.11954	2.1
260.15527	2.2
261.12799	7.6
261.16324	4.7
262.13434	2.4
262.17178	0.7
263.14322	6.5
263.17374	1.1
265.15863	10.4
266.16544	1.1
267.17499	2.2
269.13242	2.0
270.13995	2.1
271.12088	0.6
271.14798	4.5
272.12061	1.5
272.15573	3.3
273.12985	5.2
273.16238	5.9
274.13559	1.5
274.17102	1.9
275.14334	5.1
275.17856	2.0
276.15121	1.0
277.15833	8.9
279.17319	3.4
281.13071	0.9
283.11313	0.9
283.14798	1.8
284.15436	1.0
285.13065	1.5
285.16339	2.9
286.13373	1.2
286.16922	1.4
287.14352	3.1
287.17953	7.4
288.15033	2.0
288.18497	2.8
289.15851	6.6
289.19489	2.9
290.16434	1.2
291.13980	1.6
291.17468	4.3
295.14722	1.2
295.20557	0.8
297.12778	1.4
297.16238	1.3
298.13651	0.9
299.14371	2.3
299.17801	1.1
300.14990	1.5
301.15869	4.8
301.19193	1.0
302.16638	2.1
303.14075	0.8
303.17438	11.1
303.20743	1.1
304.18024	1.9
305.18970	11.0
309.13007	0.7
309.16391	1.5
310.16937	0.8
311.14417	0.8
311.17856	1.6
312.15018	1.1
313.15900	1.5
313.19522	3.3
314.16666	1.0
315.14099	0.9
315.17441	4.8
316.18152	2.0
317.18997	4.7
319.17102	1.4
319.20612	2.3
323.14404	1.0
323.17841	0.8
325.15958	1.2
325.19528	1.3
327.17245	1.7
327.20898	1.4
328.18079	0.9
328.21820	1.9
329.15387	1.0
329.18961	6.7
330.19431	1.0
331.17178	1.2
331.20541	22.9
332.20917	2.0
333.18451	1.5
341.14865	0.7
341.18890	0.8
343.16977	1.0
343.20639	2.7
345.18503	1.0
345.22125	2.3
347.20264	0.8
353.18976	1.7
355.20676	1.1
357.18451	2.6
357.22183	1.1
366.19568	1.2
367.20505	2.2
369.18005	0.8
369.22778	1.2
371.19901	6.7
371.23709	0.7
373.21420	1.4
379.20557	0.9
381.25806	1.3
383.23920	1.2
384.20493	1.0
385.20618	3.3
385.25668	6.4
386.25766	0.9
391.22699	1.3
399.27005	7.8
400.27191	1.8
409.25238	11.2
412.24194	0.8
427.26321	100.0
428.26706	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01410	0.4
53.03946	0.7
55.05513	3.4
65.03940	0.6
66.46565	0.4
67.05502	6.0
69.03413	1.5
69.07072	2.3
71.04999	0.4
79.05489	4.1
81.07054	7.5
83.04978	2.9
83.08617	0.5
85.44099	0.4
86.12737	0.4
91.05477	6.7
93.07045	7.5
95.04970	2.0
95.08607	9.5
97.06526	1.8
97.10169	0.7
98.23379	1.5
105.04558	0.5
105.06374	0.6
105.07030	8.1
105.07702	0.3
105.12807	0.4
107.08595	6.8
109.06522	7.0
109.10155	3.5
111.08055	2.1
115.05451	1.2
116.06267	0.4
117.07024	1.7
119.08582	8.0
121.06502	3.5
121.10124	2.3
123.08071	8.1
123.11696	1.2
125.09612	1.3
128.06197	1.3
129.06984	2.0
130.07741	0.6
131.08551	4.0
133.06482	0.6
133.10126	5.3
135.08060	5.6
135.11688	2.2
137.09616	0.7
139.07507	0.4
141.06984	1.9
142.07791	2.5
143.08554	5.1
145.06496	1.0
145.10123	6.0
146.07283	1.2
146.10439	0.5
147.08034	4.0
147.11671	1.7
149.09642	2.0
153.06982	1.4
154.39758	0.4
155.08536	3.7
156.09355	1.9
157.06630	0.5
157.10129	5.9
159.08043	1.8
159.11722	2.5
160.08841	0.7
161.09607	7.1
161.13274	1.5
161.63124	0.5
163.11179	3.3
165.06972	3.2
166.07768	1.6
167.08615	3.1
168.09276	0.8
169.10098	5.6
171.08089	0.8
171.11699	3.1
172.08798	0.7
172.68347	0.4
173.09567	1.7
173.13235	1.0
174.10413	0.6
175.11168	3.9
177.12749	0.5
178.07773	1.7
179.08571	3.3
180.09254	1.2
181.10121	8.0
182.10863	1.6
183.08031	0.7
183.11699	3.3
185.09595	1.2
185.13271	0.9
187.11183	1.8
189.12743	5.2
191.08575	1.4
192.09285	2.8
193.10114	5.0
194.10875	2.5
195.07962	0.4
195.11696	4.6
196.12442	1.2
197.09637	1.5
197.13228	2.7
199.11203	4.0
201.12778	1.4
202.07803	0.9
203.08531	2.0
204.09325	1.9
205.10114	3.6
206.10921	4.2
207.11705	6.8
208.12456	1.6
209.09628	1.2
209.13228	4.0
210.13972	0.6
211.11105	0.7
211.14757	1.2
213.12758	1.5
215.08398	1.8
215.14258	0.5
216.09418	1.8
217.10167	4.0
218.10893	3.0
219.11662	6.4
220.12453	3.0
221.09714	0.9
221.13243	6.9
222.10356	0.8
222.13928	1.8
223.11157	1.8
223.14786	3.6
224.11792	0.4
225.12744	1.4
227.14294	0.8
228.09367	0.7
229.10098	3.6
229.15904	0.6
230.10909	3.4
231.11708	5.4
231.13820	0.7
232.12447	3.8
233.09613	1.2
233.13249	11.1
234.10367	0.7
234.13948	2.6
235.11201	1.5
235.14729	3.4
236.11884	0.8
237.12708	2.2
237.16431	1.2
239.14285	2.7
241.10042	0.6
241.15889	0.7
242.10847	2.3
243.11670	5.2
244.12436	4.7
245.09612	0.9
245.10506	0.7
245.13252	8.8
246.10378	0.5
246.13927	3.9
247.11058	1.9
247.14810	5.3
248.11800	0.5
248.15442	1.1
249.12706	3.1
249.16367	1.9
250.13402	0.8
251.14296	8.1
253.15823	1.8
254.11067	0.5
255.11633	2.1
256.12445	2.7
257.13275	6.9
258.13983	5.3
259.10971	0.7
259.11691	0.6
259.14807	7.6
260.12061	1.1
260.15527	2.2
261.12888	2.1
261.16312	3.7
262.13379	0.6
262.16824	0.6
263.14337	4.4
263.17984	0.6
265.15866	6.7
266.16437	0.9
267.17258	1.0
268.12180	0.5
269.13174	1.2
270.13992	2.3
271.14767	5.1
272.15564	5.0
273.12869	1.4
273.16342	9.2
274.13422	0.7
274.16907	2.2
275.14355	1.7
275.17694	1.8
276.15311	0.6
277.15909	6.0
277.19067	0.8
279.17511	2.1
281.13211	0.9
283.14783	2.4
284.15488	1.3
285.16296	3.9
286.13846	0.7
286.17117	2.2
287.14447	1.7
287.17880	12.8
288.15076	0.9
288.18600	3.2
289.15863	2.4
289.19461	3.5
290.20074	0.6
291.17371	2.8
293.15488	0.5
295.11456	0.5
295.14813	0.9
296.15570	1.0
297.16464	1.4
298.17084	1.6
299.14670	0.7
299.17926	3.1
300.15152	0.7
300.18689	0.8
301.15866	3.0
301.19464	1.7
302.16531	1.1
303.17456	7.4
303.20853	0.7
304.17911	1.0
305.18930	7.3
306.19156	0.9
309.16229	0.7
311.14545	0.7
311.17938	1.4
313.16028	0.9
313.19531	4.2
314.16785	0.8
314.20071	0.6
315.17432	2.2
315.21094	1.1
316.18228	0.8
317.15634	0.5
317.19003	2.1
318.19525	0.5
319.17111	0.4
319.20599	0.9
323.18033	1.0
324.14996	0.5
325.15939	0.8
325.19330	0.9
327.17358	0.8
327.21124	1.1
328.18228	0.7
328.21652	2.6
329.15393	0.7
329.19006	4.2
329.22330	0.6
331.17090	0.6
331.20502	12.1
332.20950	1.8
336.18567	0.5
337.15674	0.6
337.19315	0.6
339.17340	1.1
339.21066	0.7
341.18964	1.0
343.16782	1.1
343.20538	1.2
344.21204	0.8
345.18436	0.9
345.22208	1.2
351.21127	0.6
353.18802	0.8
353.22577	0.9
355.20883	0.6
357.18518	1.4
357.22263	0.8
359.20053	0.6
365.18723	0.5
367.20462	0.9
367.24567	0.5
369.22086	1.3
371.19952	1.5
371.23938	0.8
381.26007	2.2
383.23666	1.0
385.21530	1.3
385.25720	1.9
391.24048	0.5
399.23160	0.6
399.26880	4.0
400.27368	0.6
409.25269	10.3
410.25549	1.0
427.26309	100.0
428.26654	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01878	0.8
55.05509	6.1
56.05843	0.5
57.07056	0.4
65.03947	0.7
67.05502	4.5
69.03427	1.1
69.07059	1.4
69.15991	2.5
69.16409	0.6
79.05480	2.7
79.51437	0.3
81.07057	5.8
83.04977	9.4
83.05456	0.6
83.08607	0.9
84.05321	0.6
86.09698	1.1
91.05470	5.9
93.07037	5.7
95.04948	2.1
95.08602	8.6
97.06527	1.4
99.04431	0.6
103.05466	0.5
105.04482	0.4
105.07030	9.0
107.08589	5.5
109.06516	2.5
109.10160	2.4
111.04451	0.8
111.08085	1.6
113.06004	0.4
115.05439	0.8
117.07024	2.6
119.05947	0.4
119.08579	8.3
121.06519	2.8
121.10126	2.7
123.08068	5.0
123.11714	0.8
125.09634	0.9
125.34332	0.3
128.06226	1.5
129.06999	2.8
130.07813	0.9
131.08565	5.5
133.06511	0.7
133.10124	5.0
135.08037	4.0
135.11694	1.7
137.09612	0.6
139.07582	0.6
140.90839	0.4
141.06985	1.4
142.07771	2.4
143.08568	3.8
144.09294	0.9
145.06480	1.2
145.10114	8.2
146.07361	0.6
146.10597	0.3
147.08054	3.1
147.11707	2.4
149.09605	1.9
151.11131	0.4
153.07040	1.0
154.07777	0.6
155.08530	3.4
156.09351	1.5
157.06499	1.4
157.10126	6.9
158.07237	0.7
159.08105	1.7
159.11688	3.7
160.08902	0.8
161.09633	5.0
161.13246	1.3
163.11165	1.8
165.06990	2.3
166.07780	1.4
167.07153	0.7
167.08543	3.8
168.09351	0.7
169.10141	5.2
171.08087	0.8
171.11702	3.3
172.08820	0.5
173.09650	2.0
173.13266	0.9
175.11156	3.7
177.12836	0.4
178.07784	1.0
179.08545	3.8
180.09367	1.3
181.10107	5.1
182.10887	1.9
183.08090	1.4
183.11679	4.8
184.12430	0.5
185.09637	1.5
185.13264	1.3
186.14977	0.7
187.11182	2.3
189.12750	2.4
190.07784	0.7
191.07062	0.4
191.08475	1.8
192.09344	2.6
193.10161	3.9
194.10898	1.4
195.08081	1.8
195.11644	2.9
196.08794	0.6
196.12381	0.5
197.09598	2.2
197.13226	2.1
199.11165	3.4
199.14847	0.5
201.12750	1.0
202.07829	1.3
203.08540	2.7
204.09357	1.7
205.10115	3.2
206.10941	2.9
207.08067	1.1
207.11690	4.5
208.08821	0.8
208.12463	1.2
209.09610	3.4
209.13223	2.7
210.10358	0.5
211.11226	1.4
211.14825	1.0
213.12762	1.4
215.08545	2.9
215.14317	0.5
216.09366	3.3
217.10139	5.1
218.10863	3.3
219.08124	0.5
219.11711	5.4
220.08885	0.5
220.12415	2.1
221.09761	1.7
221.13239	7.4
222.10280	1.2
222.13928	1.3
223.11142	2.1
223.14679	2.3
224.11938	0.5
225.12741	1.6
227.14394	0.5
228.09251	0.9
229.10139	4.6
230.10905	4.0
231.08266	0.5
231.11630	6.4
232.08977	0.6
232.12352	2.9
233.09618	1.6
233.13237	8.1
234.10411	0.8
234.13924	1.9
235.11176	1.9
235.14787	3.4
236.11945	1.0
237.12674	2.1
237.16344	0.6
239.14346	2.6
240.14659	0.4
241.10216	0.8
241.15921	0.8
242.10869	1.9
242.13239	0.4
243.11688	7.6
244.12401	6.1
245.09631	1.4
245.13246	9.9
246.10518	1.1
246.13934	2.7
247.11197	2.8
247.14799	4.3
248.11963	0.8
248.15462	1.0
249.12698	2.9
249.16402	1.4
250.13449	0.7
251.14325	5.1
251.17993	0.6
253.10023	0.5
253.15862	1.0
254.11026	0.4
255.11679	1.5
256.12469	2.4
257.13242	7.3
258.11111	0.6
258.14017	6.0
259.11227	1.9
259.14822	7.3
259.17279	0.6
260.11966	1.4
260.15448	1.6
261.12762	3.5
261.16232	2.6
262.13467	1.3
263.14294	3.7
263.17322	0.5
264.14841	0.5
265.15762	3.2
266.16400	0.6
267.11697	0.7
267.17337	0.7
268.12573	1.0
269.13339	1.9
270.14020	1.6
271.11496	0.5
271.14728	5.5
272.15533	5.0
273.12814	1.7
273.16339	10.9
274.13504	1.5
274.16949	1.6
275.14230	1.9
275.17947	1.5
277.15891	4.3
278.16422	0.5
279.17508	2.0
281.13199	1.0
282.14139	0.4
283.11853	0.4
283.14725	1.9
284.12140	0.4
284.15634	1.4
285.13071	0.5
285.16248	4.0
286.13980	0.5
286.17035	2.3
287.14444	1.4
287.17883	14.8
288.15070	1.1
288.18637	4.6
289.15851	3.6
289.19498	3.3
290.16617	0.4
290.19919	0.5
291.17429	1.8
295.14685	0.7
296.15509	0.4
297.16388	1.3
298.13577	0.4
298.16876	0.9
299.14468	0.6
299.17859	1.7
300.15244	0.4
300.18628	0.9
301.12567	0.5
301.15878	2.1
301.19476	1.2
302.16553	0.8
303.17447	5.4
303.20737	0.7
304.18076	1.0
305.18970	4.5
306.19424	0.7
308.15485	0.5
309.12784	0.5
309.16180	0.4
310.17157	0.5
311.14407	0.6
311.17972	1.2
312.15277	0.4
312.18616	0.7
313.15930	0.9
313.19501	4.4
314.16635	0.6
314.20056	0.5
315.17432	1.3
315.21118	1.1
316.18173	0.5
317.18835	2.0
319.16910	0.6
325.15845	0.5
325.19513	0.9
326.20081	0.5
327.17612	0.5
327.21149	1.3
328.21701	3.4
329.18970	2.0
329.22223	0.4
331.17090	0.5
331.20526	13.1
332.20944	1.0
333.18536	0.8
339.17352	0.9
339.21048	0.8
341.19009	0.8
341.22733	0.4
343.16943	0.5
343.20511	0.9
345.22153	1.8
351.17151	0.6
351.21078	0.6
353.18784	0.9
353.22580	0.7
355.20599	0.6
357.18304	0.6
357.22211	0.9
366.19611	0.5
367.20462	1.1
369.22137	1.4
371.19986	2.0
371.24030	0.7
381.25748	1.6
384.20874	0.7
385.21228	2.6
385.25443	0.9
391.24710	0.4
394.22971	0.8
399.27042	4.5
400.27002	0.9
409.25208	7.9
410.25534	1.1
412.24084	0.5
427.26312	100.0
428.26642	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62617	0.3
51.02391	0.4
53.03933	1.1
55.01868	0.9
55.05510	4.8
57.07070	0.5
62.38317	0.3
65.03944	0.8
67.05506	6.1
69.03420	3.2
69.07060	1.9
69.30315	2.5
71.05004	0.4
79.05492	9.3
81.07056	34.0
82.07370	1.0
83.04984	2.0
83.08631	0.6
85.06545	0.5
91.05476	7.4
93.07035	7.6
95.04968	2.7
95.08605	10.3
97.06525	2.5
103.05501	0.5
105.07025	12.0
106.07343	0.5
107.04985	0.9
107.08592	10.9
108.05737	0.7
109.06516	23.3
109.10141	4.7
110.06861	0.8
111.08071	1.1
113.06105	0.4
115.05415	0.9
117.06982	2.5
119.08579	9.1
119.09437	0.5
121.06495	4.7
121.10135	2.7
123.07169	0.6
123.08063	11.2
123.08932	0.8
123.11687	1.8
124.08404	0.6
125.09650	2.1
128.06213	1.6
129.07010	2.8
130.07777	1.0
131.08554	4.0
133.06491	1.1
133.10132	7.5
134.10387	0.4
135.08047	7.7
135.11668	3.9
137.09607	1.2
137.13246	0.6
138.90601	0.4
141.06969	2.9
142.07797	2.8
143.08551	4.6
144.09334	0.7
145.06473	0.6
145.10124	4.9
146.07271	1.4
147.08038	5.8
147.11676	2.4
149.09592	4.6
152.06201	0.4
153.07036	1.4
154.07828	0.6
155.08542	4.6
156.09344	2.7
157.06493	2.6
157.10130	6.8
158.10516	0.5
159.08061	2.0
159.11678	3.1
160.08838	1.5
161.09621	9.9
161.13271	1.7
162.09998	0.5
163.11182	5.3
165.06958	3.5
165.08043	0.3
166.07733	1.1
167.08542	3.2
168.09320	1.1
169.06499	1.3
169.10114	4.5
171.08078	1.3
171.11700	4.3
172.08745	0.8
173.09637	1.7
173.13268	1.5
174.10356	0.6
175.11194	6.4
177.07002	0.5
177.12799	0.6
178.07813	1.1
179.08549	4.5
180.09312	1.4
181.06514	1.1
181.10112	6.5
182.07246	0.4
182.10866	1.3
183.08037	2.5
183.11661	2.6
184.08777	0.4
185.09630	1.6
185.13243	1.1
187.11189	1.9
189.07025	0.5
189.12753	6.6
190.07817	0.9
190.13132	0.6
191.08585	2.0
192.09326	2.3
193.10120	5.5
194.07341	0.8
194.10968	2.3
195.08032	4.2
195.09593	0.4
195.09929	0.6
195.11658	5.4
196.08734	1.5
196.12321	0.5
197.09601	3.6
197.13225	2.0
198.10222	0.5
199.11154	5.1
199.14972	0.4
200.11566	0.4
201.12776	1.5
202.07863	1.4
203.08565	2.0
204.09308	1.6
205.10118	3.5
206.07162	0.5
206.10875	3.0
207.08069	1.5
207.11658	6.2
208.08807	2.3
208.12314	1.8
209.09622	6.3
209.13254	3.9
210.10248	1.1
210.13872	0.4
211.11259	2.0
211.14838	0.7
213.12711	2.0
215.08583	1.6
216.09331	2.1
217.10109	3.4
217.12080	0.7
218.10966	2.5
219.08107	1.2
219.11653	6.0
220.08887	0.7
220.12331	2.3
221.09645	5.1
221.13182	5.0
222.10452	1.8
222.13922	1.8
223.11205	4.0
223.14764	3.8
224.11800	0.7
225.12741	1.4
225.16371	0.4
227.14369	1.1
228.09258	1.1
229.10052	3.2
230.10909	2.7
231.08070	1.3
231.11658	6.5
232.08850	1.1
232.12387	3.2
233.09688	2.7
233.13202	5.3
234.10341	1.1
234.13959	1.8
235.11148	3.5
235.14763	2.4
236.11887	1.9
237.12727	3.7
237.16438	1.2
239.08522	0.7
239.14290	3.7
241.10155	1.1
241.15874	1.1
242.10870	1.2
243.11668	4.6
244.12424	3.3
245.09589	2.6
245.13243	6.7
246.10411	3.4
246.14003	2.7
247.11148	5.0
247.14792	5.4
248.11836	1.3
248.15453	1.0
249.12698	6.0
249.16353	1.8
250.13458	0.9
251.14301	14.4
252.14680	1.2
253.10191	0.5
253.15862	2.3
254.10889	0.5
255.11699	1.4
256.12433	2.0
257.09787	0.8
257.13266	5.0
258.10376	0.9
258.13974	2.6
259.11191	3.5
259.14786	5.3
259.17307	0.5
260.12021	3.1
260.15277	1.9
261.09036	0.4
261.09814	0.5
261.12790	5.1
261.16403	4.5
262.13425	1.9
262.16937	0.6
263.11032	0.5
263.14261	7.0
263.17834	1.0
264.14886	0.5
265.15863	10.2
266.10974	0.4
266.16336	1.3
267.11615	0.6
267.17392	1.4
268.12411	0.6
269.09665	0.5
269.13251	1.4
270.10703	0.5
270.14008	1.5
271.11206	1.2
271.14789	4.0
272.11981	1.3
272.15540	2.5
273.12729	4.2
273.16354	5.1
274.13464	1.6
274.17108	1.3
275.11292	0.7
275.14319	4.4
275.17883	2.1
276.14963	0.8
277.12820	0.5
277.15863	9.0
278.16177	0.6
279.17419	2.9
281.13055	0.7
282.13852	0.5
283.11469	0.7
283.14832	1.9
284.12210	0.7
284.15497	1.2
285.12750	1.4
285.16339	3.2
286.13605	1.0
286.17145	1.4
287.14365	3.5
287.17944	6.6
288.15057	2.0
288.18674	1.5
289.12610	0.4
289.15866	5.7
289.19479	3.1
290.16452	0.8
290.19763	0.6
291.13794	1.1
291.17426	4.3
293.15720	0.6
293.18948	0.9
294.14111	0.5
295.11172	0.4
295.14764	0.9
296.12094	0.6
296.15445	0.9
297.12775	1.1
297.16467	1.7
298.13547	0.6
298.16986	0.7
299.11102	0.7
299.14349	1.5
299.17960	2.0
300.15103	0.8
300.18445	0.8
301.12399	0.4
301.15854	4.5
301.19485	1.7
302.13297	0.4
302.16556	1.6
303.13882	0.7
303.17419	11.1
303.20941	0.9
304.17944	2.3
305.15524	0.8
305.18951	9.4
305.22363	0.7
306.19360	1.1
309.12775	0.5
309.16391	0.8
310.13602	0.7
311.14191	1.0
311.17953	1.7
312.14972	0.8
312.18497	0.6
313.15906	1.3
313.19556	2.7
314.16544	0.9
315.13907	0.9
315.17444	3.6
316.18097	1.8
317.15631	0.7
317.18979	4.2
318.19513	0.6
319.16888	1.1
319.20602	2.1
323.14212	1.0
323.17825	0.6
324.18417	0.5
325.15796	0.9
325.19565	1.0
326.19955	0.4
327.14001	0.6
327.17480	1.1
327.21036	1.1
328.18439	0.9
328.21765	1.3
329.15305	0.9
329.18958	6.5
329.22617	0.7
330.19333	0.7
331.17072	1.2
331.20526	22.1
332.20813	2.9
333.18530	0.7
333.22098	0.7
335.17630	0.5
337.15924	0.7
337.19501	0.6
338.16647	0.8
339.17273	0.9
339.21100	1.0
341.15359	0.6
341.19116	1.5
343.16794	0.9
343.20612	2.2
344.21161	0.7
345.18402	1.1
345.22220	2.8
351.17331	0.7
351.21149	0.6
352.17816	0.5
352.21820	0.6
353.18839	1.9
353.22571	0.7
354.19455	0.7
355.20560	1.4
356.17596	0.5
357.18445	1.7
357.22250	1.1
366.19556	0.7
367.20288	1.8
367.24402	1.1
369.22174	3.5
370.22797	0.5
371.19940	8.2
371.23590	0.8
372.20459	1.0
381.25793	1.0
383.23621	0.7
384.20554	0.9
385.21347	3.7
385.25339	6.0
386.21472	0.6
386.25763	0.8
391.24020	0.6
394.22800	0.9
398.22647	0.5
399.26950	7.0
400.27277	1.0
409.25241	11.7
410.25690	1.9
412.23758	0.8
427.26309	100.0
428.26636	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01862	0.8
55.05506	3.1
58.47337	0.4
60.55490	0.4
62.36304	0.4
65.03922	0.7
67.05505	5.6
69.03435	3.0
69.07071	2.9
79.05489	3.5
81.07049	4.7
83.04972	2.7
83.08609	0.6
85.06508	0.4
88.15620	0.4
91.05469	6.0
93.07043	7.4
94.07371	0.4
95.04983	2.2
95.08602	8.5
97.06525	1.9
98.22753	2.1
98.23444	0.9
105.04516	0.5
105.07033	6.2
107.08604	5.6
109.06542	3.2
109.10137	2.6
111.04465	0.7
111.08074	2.3
115.05471	1.3
117.07025	3.4
119.08588	7.3
121.06536	3.1
121.10146	2.3
123.08060	3.6
123.11695	0.6
125.09626	0.9
128.06181	2.2
129.07013	3.3
130.07791	0.4
131.08575	5.7
133.06508	0.9
133.10124	5.7
135.08052	3.7
135.11707	1.2
137.05907	0.5
137.09601	1.2
139.07523	0.7
141.06973	3.4
142.07796	2.1
143.08588	5.0
144.09277	0.6
145.06488	1.1
145.10127	4.8
146.07275	0.4
147.08037	2.4
147.11662	3.4
149.09637	2.1
150.83856	0.4
151.11183	0.6
152.06122	0.5
153.06989	1.4
154.07767	1.3
155.08560	3.8
156.09323	1.6
157.06496	1.2
157.10132	5.5
158.07260	1.0
159.08057	7.9
159.11696	4.1
160.08742	0.9
161.09648	3.2
161.13240	1.1
163.11156	2.1
165.07005	2.9
166.07808	2.2
167.08513	3.4
168.09354	2.1
169.10112	3.7
170.10889	0.7
171.11716	3.2
172.08873	0.7
173.09639	3.6
173.13251	4.1
174.10497	0.4
175.11188	6.5
176.11519	0.6
177.12837	0.4
178.07840	0.9
179.08572	3.4
180.09299	1.1
181.10126	8.3
182.10875	1.5
183.08102	0.8
183.11711	7.8
185.09619	1.2
185.13275	1.2
187.11183	3.8
189.12749	4.1
190.07840	0.5
190.13156	0.5
191.08585	1.2
192.09373	1.8
193.10156	4.5
194.10872	1.5
195.08078	0.6
195.11705	4.1
196.08685	0.7
196.12437	1.1
197.09648	1.5
197.13272	3.2
199.11183	4.3
199.15002	0.7
201.12735	12.5
202.07774	0.5
202.13080	0.6
203.08609	1.7
204.09233	1.9
205.10101	3.1
206.10875	3.0
207.11694	5.9
208.12436	1.3
209.09636	1.9
209.13260	4.0
210.10394	1.3
211.11215	2.2
211.14839	1.6
212.11682	0.5
213.12759	1.7
214.11020	0.4
215.08659	1.6
215.14352	1.6
216.09344	1.9
217.10178	3.0
217.11989	0.6
218.10851	3.1
219.11671	6.6
220.12469	3.0
221.09680	1.2
221.13240	7.2
222.10561	0.5
222.13994	1.2
223.11172	2.0
223.14772	2.0
224.11859	0.7
225.12752	3.5
227.14284	1.4
228.09512	0.6
228.75395	0.6
229.10117	3.0
230.10829	3.7
231.11644	5.6
232.12485	3.1
233.09665	0.6
233.13261	9.4
234.13881	2.5
235.11172	1.2
235.14799	3.1
236.11923	0.6
237.12700	2.0
237.16432	1.0
239.14304	5.4
240.14903	0.6
241.10193	1.6
241.16042	1.0
242.10896	1.6
243.11681	4.7
244.12433	3.4
245.13245	7.8
246.10201	0.6
246.14050	2.9
247.11230	2.3
247.14789	6.0
248.15640	0.7
249.12782	1.9
249.16426	1.3
251.14307	10.3
253.15855	3.5
255.11641	2.8
256.12445	3.4
257.13248	5.2
258.14029	2.9
259.11249	1.3
259.14835	6.1
260.11935	1.6
260.15613	1.5
261.12875	2.6
261.16339	2.7
262.13608	1.1
263.14255	4.3
265.15878	6.2
267.11719	0.9
267.17465	1.3
268.12448	0.8
269.13281	3.3
270.14063	3.0
271.14777	5.6
272.15451	2.2
273.12802	1.6
273.16394	5.6
274.13498	1.2
274.17047	0.8
275.14346	3.1
275.17920	1.6
276.14999	0.6
277.15894	5.1
279.17383	2.2
281.13202	1.6
282.14157	1.3
283.14728	3.0
284.15503	1.7
285.13260	0.8
285.16318	4.5
286.13580	0.9
286.17090	2.1
287.14380	1.8
287.17920	4.9
288.15073	1.7
288.18698	2.2
289.15875	5.1
289.19501	2.4
290.16327	0.7
291.17456	2.8
293.19080	0.7
295.14871	1.6
296.15558	0.8
297.12988	0.8
297.16068	2.0
298.13461	0.7
298.17160	1.1
299.14398	1.3
299.17953	2.3
300.15125	0.9
300.18625	1.6
301.15927	2.8
301.19528	1.9
302.16562	1.1
303.17465	4.0
303.20767	0.8
304.18097	0.8
305.18985	4.9
306.19675	0.7
309.16382	1.4
310.17108	0.9
311.14310	1.0
311.17868	1.5
312.15057	1.2
312.18405	0.7
313.15891	1.2
313.19534	5.0
314.16653	1.0
314.20132	1.5
315.17416	2.9
315.21140	2.3
316.18057	1.2
317.19028	3.8
317.22556	0.9
319.17245	0.6
319.20584	1.7
322.17221	0.5
323.17972	1.5
324.18469	0.9
325.15833	0.9
325.19434	1.5
326.16714	0.6
327.17401	2.5
327.21179	1.7
328.21719	4.7
329.18954	3.9
329.22659	1.5
330.19547	0.7
331.17178	0.8
331.20551	19.6
332.20917	2.4
333.18604	0.7
333.21960	2.5
335.18060	0.5
337.15939	0.6
338.16592	0.7
338.20535	0.8
339.17374	0.9
339.20963	0.9
340.18170	0.6
341.19147	3.3
343.16864	1.2
343.20694	2.4
345.18515	0.7
345.22122	2.7
349.19669	0.7
351.17422	1.4
351.21191	0.6
353.19098	1.2
353.22888	0.7
354.19565	0.6
355.16718	0.8
355.20520	1.3
356.21335	0.8
357.18469	1.2
357.22269	1.5
365.19083	0.5
366.19824	0.8
367.20398	2.3
369.18320	1.4
369.22327	2.6
370.22885	0.8
371.19949	1.5
371.23737	1.6
379.20651	0.8
381.25934	1.1
383.19528	0.8
383.23877	1.4
384.20776	2.5
385.21454	6.6
385.25214	0.6
386.21957	0.6
394.23013	0.7
398.22473	0.5
399.22632	0.5
399.27158	4.9
400.27118	0.5
409.25259	12.5
410.25644	1.3
412.24054	0.6
427.26334	100.0
428.26675	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.03951	1.3
53.16916	0.6
53.39339	0.6
55.01865	1.0
55.05524	3.7
57.07077	1.1
63.37125	0.6
65.03954	1.1
67.05502	5.2
69.03414	2.2
69.07065	2.2
69.54267	1.9
69.54665	1.3
79.05494	4.9
80.97086	0.6
81.07064	6.4
83.04980	4.0
91.05476	9.9
93.07039	6.1
95.04964	3.2
95.08604	8.0
97.06548	2.0
103.05475	1.1
105.07031	12.1
107.04960	1.1
107.08592	8.8
109.02891	2.1
109.06532	3.6
109.10165	2.4
111.08076	1.7
115.05470	2.6
117.07034	4.6
119.08580	12.6
121.06483	5.0
121.10140	2.8
123.08086	3.9
123.11711	0.8
127.07671	0.7
128.06207	5.2
129.07011	6.7
130.07777	1.3
131.04900	0.7
131.08577	9.1
133.06499	1.4
133.10118	6.4
135.08054	17.4
137.05995	1.3
137.09607	1.0
141.07007	5.4
142.07787	7.8
143.08568	15.1
144.05716	0.8
144.09288	1.2
145.06528	2.6
145.10109	10.6
147.08070	4.2
147.11682	3.1
149.09622	2.6
152.06270	0.7
153.07001	2.7
154.07782	2.3
155.08553	8.6
156.09357	6.6
157.06470	5.4
157.10126	13.8
158.07234	1.8
158.10826	0.8
159.08054	8.4
159.11688	5.5
160.08905	1.1
161.09641	5.7
161.13264	0.7
163.11218	1.1
165.06996	6.0
166.07742	2.2
167.08536	6.9
168.05779	0.9
168.09369	2.9
169.06506	3.0
169.10143	7.1
170.07271	2.3
170.10921	4.6
171.08063	16.3
171.11725	7.6
172.08836	3.3
173.09633	10.2
173.13309	3.3
175.07658	0.7
175.11160	3.0
178.07675	0.8
179.08556	6.3
180.09300	3.3
181.06587	1.0
181.10100	7.1
182.07399	0.8
182.10887	1.3
183.08066	8.2
183.11670	6.6
184.08855	3.4
184.12177	0.9
185.09622	16.4
185.13245	9.4
186.10110	1.6
186.13583	0.7
187.11169	6.8
187.14828	1.2
189.09140	0.8
189.12750	2.1
190.07710	0.9
191.08623	1.1
192.09325	2.0
193.10101	4.8
194.10936	2.1
195.08057	2.6
195.11682	9.4
196.08806	1.8
196.12366	1.3
197.09637	6.3
197.11433	0.8
197.11722	0.9
197.13240	6.5
198.10393	8.8
199.11189	20.2
199.14870	2.8
200.11617	1.5
201.12743	10.4
202.07838	0.7
203.08626	1.8
203.10701	2.3
204.09268	1.6
205.10124	3.4
206.10896	2.4
207.08102	0.9
207.11754	5.2
208.08847	1.3
208.12476	1.3
209.09634	2.2
209.13257	9.4
210.10361	1.3
210.13573	0.8
211.11203	6.6
211.14842	2.7
212.11992	3.3
213.12753	38.5
214.11284	0.8
214.13130	3.4
215.08615	2.1
215.10693	0.7
215.14333	8.1
216.09375	2.2
216.14648	1.0
217.10158	3.7
217.12257	2.6
218.10876	2.3
219.08031	1.1
219.11699	4.5
220.12413	2.1
221.09587	2.4
221.13255	5.3
222.10359	0.9
222.13716	0.7
223.11194	3.9
223.14795	2.1
224.11819	0.9
225.12704	8.8
226.13177	1.0
227.10811	0.9
227.14305	14.7
228.09456	1.0
229.10098	3.9
229.12320	2.7
229.15819	1.3
230.10883	4.7
231.11711	6.3
231.13809	1.5
232.12413	3.0
233.09694	1.8
233.13260	5.4
234.10245	0.7
234.13986	1.1
235.11105	2.1
235.14867	3.7
237.12770	3.7
237.16333	1.1
239.14333	5.0
241.10147	4.1
241.15854	2.4
242.10907	3.0
243.11688	10.5
243.13873	1.2
244.12486	4.0
245.09634	0.8
245.13277	6.3
246.10362	1.2
246.13991	2.8
247.11163	2.5
247.14812	5.5
248.11896	0.7
249.12753	2.8
249.16391	2.7
250.13373	0.9
251.14365	2.5
253.10149	1.4
253.15865	1.7
254.10980	1.1
255.11649	5.7
256.12454	5.9
257.13174	8.5
258.13998	3.8
259.11197	1.6
259.14853	5.1
260.11990	1.0
260.15649	1.3
261.12781	1.8
261.16336	3.1
262.13531	1.3
263.14355	3.5
265.15927	1.6
267.11646	1.5
269.13248	6.3
270.14014	6.9
271.11792	0.8
271.14819	15.2
272.15497	5.9
273.13190	1.3
273.16364	5.5
274.13391	0.9
274.17188	2.0
275.14331	1.8
275.17953	1.9
277.15891	3.8
279.17502	1.8
281.13300	1.8
283.14679	5.1
284.15607	3.3
285.13126	0.9
285.16360	20.2
286.13983	1.2
286.17117	9.8
287.14325	1.9
287.17883	6.8
288.18527	2.3
289.15842	3.3
289.19504	3.3
290.16599	0.8
290.20355	1.5
291.17508	3.0
295.14755	1.2
296.15607	1.5
297.13135	1.0
297.16296	3.6
298.17227	2.4
299.14481	1.2
299.17953	2.7
300.18823	1.0
301.15826	1.6
301.19363	1.7
303.17508	3.2
303.21158	1.8
305.15970	0.8
305.19092	3.0
306.19669	0.8
309.12869	1.1
309.16306	1.3
311.14429	1.4
311.17987	3.0
312.18640	1.0
313.16040	1.2
313.19464	17.1
314.19974	2.7
315.17410	1.5
315.21124	1.9
317.18958	1.6
319.20526	1.3
323.17896	1.2
324.18610	0.9
325.15930	1.6
325.19431	1.6
327.17508	1.0
327.20926	5.1
328.21823	27.1
329.15170	0.8
329.18872	1.3
329.22388	3.3
331.17004	1.2
331.20541	6.0
332.20770	0.9
337.15869	1.4
338.16559	1.0
338.20493	0.8
339.17520	1.0
339.21277	1.9
341.22739	0.8
343.20581	1.4
345.22113	1.6
351.17444	2.3
352.18198	1.4
353.19009	2.8
357.18597	0.8
365.19016	0.9
366.19775	1.6
367.20541	4.6
369.22241	1.2
371.19940	2.9
375.51245	0.8
381.25766	1.7
384.20657	1.8
385.21463	12.0
399.22595	1.0
399.27094	5.7
409.25201	14.1
410.25809	2.2
427.26334	100.0
428.26697	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28268	0.2
53.03941	0.7
55.01870	0.9
55.05513	12.5
55.42014	0.2
56.05834	0.6
57.07075	0.7
60.58044	0.3
65.03954	0.4
67.05510	4.0
69.03434	1.4
69.07065	1.3
69.30042	1.0
69.30446	0.9
77.03938	0.3
79.05494	2.7
81.07055	5.3
83.04985	16.3
83.08626	0.5
84.05296	0.6
91.05484	5.4
93.07041	5.2
95.04988	1.7
95.08609	8.2
96.08936	0.4
97.06529	1.3
103.05479	0.4
105.07037	7.7
107.08595	4.6
107.25925	0.3
109.06516	2.3
109.10154	2.0
111.04433	1.0
111.08062	1.4
115.05475	1.2
117.07003	2.1
119.08583	7.2
121.06519	2.8
121.10168	2.1
123.08067	4.9
123.11682	0.7
125.09620	0.7
128.06201	1.9
129.07007	3.0
130.07805	0.9
131.08574	5.2
132.08981	0.3
133.06487	1.0
133.10133	5.4
134.10443	0.4
135.08064	3.8
135.11693	1.3
137.09607	0.5
139.07515	0.4
141.06966	1.8
142.07785	2.4
142.37907	0.3
143.08563	4.1
144.09329	0.7
145.06482	1.1
145.10120	7.7
146.07256	0.6
146.10466	0.4
147.08044	2.6
147.11703	1.3
149.09634	1.7
149.13248	0.4
153.06998	1.2
154.07744	0.9
155.08557	3.1
156.09370	1.7
157.06494	1.8
157.10126	5.6
158.07217	0.3
158.10753	0.5
159.08089	2.6
159.11707	3.1
160.08803	0.6
161.09633	4.3
161.13266	0.9
163.11211	1.9
165.06963	2.5
166.07762	1.8
167.08562	3.0
168.09290	1.2
169.06511	0.5
169.10133	4.9
170.07462	0.3
170.10881	0.8
171.08096	1.1
171.11714	2.8
172.08813	0.5
173.09647	2.3
173.13260	1.1
174.10320	0.6
175.11191	3.5
177.12723	0.4
178.07823	1.3
179.08557	3.7
180.09331	1.6
181.06512	0.5
181.10130	4.8
182.07271	0.4
182.10840	1.6
183.08060	1.3
183.11673	4.5
184.12344	0.5
185.09636	1.6
185.13272	1.3
187.11182	2.6
189.12764	2.7
191.08546	1.8
192.09323	1.6
193.10149	3.5
194.10822	1.4
195.08055	1.8
195.11717	3.5
196.08765	0.6
196.12485	0.9
197.09605	2.0
197.13162	1.9
199.11177	3.7
201.12787	2.1
202.07826	1.3
203.08615	2.3
204.09303	2.2
205.10153	3.4
206.10898	3.4
207.08112	1.1
207.11699	5.1
208.08835	1.2
208.12415	1.1
209.09680	3.6
209.13190	3.1
210.10306	0.5
210.13878	0.7
211.11192	1.2
211.14865	1.1
212.11737	0.3
213.12762	1.3
213.16466	0.4
215.08533	2.7
215.14299	0.5
216.09302	2.6
217.10135	5.2
217.12109	0.4
218.10904	2.6
219.08063	0.9
219.11711	6.2
219.13715	0.6
220.08998	0.5
220.12437	2.3
221.09752	2.1
221.13234	6.7
222.10402	0.9
222.13947	1.0
223.11247	2.2
223.14830	2.3
224.12007	0.5
225.09172	0.5
225.12721	2.0
225.16078	0.3
227.08653	0.5
227.14281	0.9
228.09387	1.0
229.10109	5.6
229.16125	0.3
230.10872	4.4
231.08063	0.8
231.11662	6.0
231.13776	0.5
232.08765	0.7
232.12415	2.6
233.09723	1.7
233.13249	8.8
234.10411	0.9
234.13835	2.1
235.11208	2.3
235.14796	2.4
236.11946	0.8
236.15451	0.4
237.12830	1.9
237.16331	0.4
239.14307	3.0
241.10243	1.3
241.15907	0.9
242.10844	1.8
243.11674	6.8
244.12450	6.0
245.09601	0.9
245.13258	9.7
245.15678	0.6
246.10410	1.2
246.13899	2.8
247.11195	3.0
247.14795	3.6
248.11967	1.1
248.15419	1.1
249.12813	3.9
249.16286	1.6
250.13663	0.3
250.16975	0.3
251.14325	5.6
252.14626	0.4
253.15950	1.1
255.11635	2.2
256.12485	2.3
257.13254	7.0
258.10834	0.7
258.14053	4.9
259.11258	1.5
259.14825	6.5
260.12164	1.4
260.15350	1.7
261.12750	3.0
261.16284	2.4
262.13425	1.0
262.17117	0.4
263.14349	3.2
263.17899	0.5
264.14951	0.6
265.15829	2.8
267.11572	0.4
267.17468	0.8
268.12286	0.4
269.13293	1.9
269.15842	0.4
270.13919	2.4
271.11569	0.6
271.14777	5.9
271.17456	0.4
272.12265	0.7
272.15512	5.4
273.12827	2.0
273.16397	10.8
274.13486	1.3
274.16711	1.4
275.14343	2.5
275.17862	1.4
276.14938	0.4
277.15887	5.0
278.16382	0.5
279.17459	2.0
280.12628	0.4
281.08081	1.8
281.13126	0.4
283.11578	0.5
283.14661	2.0
284.15613	1.1
285.12915	0.8
285.16248	3.8
286.13885	0.6
286.17081	2.1
287.14420	1.8
287.17892	14.6
288.15082	1.7
288.18652	5.1
289.15915	3.7
289.19540	3.6
290.16583	0.5
290.19965	0.8
291.13971	0.7
291.17419	1.9
293.19031	0.4
293.89413	0.3
295.11258	0.3
295.14764	0.8
296.15469	0.5
297.13052	0.5
297.16357	1.1
298.13666	0.5
298.17114	1.2
299.14471	0.7
299.18002	2.1
300.15225	0.4
300.18735	0.7
301.12537	0.5
301.15936	1.9
301.19537	1.0
302.16431	0.6
303.14108	0.4
303.17444	4.9
303.20758	0.6
304.18118	1.0
305.18985	3.8
307.20746	0.4
309.16394	0.9
310.17169	0.6
311.14499	0.6
311.17935	1.4
312.18561	0.6
313.11011	0.4
313.15863	0.7
313.19528	4.3
314.20129	0.6
315.14093	0.5
315.17444	1.6
315.21091	0.8
316.18134	1.0
316.21667	0.4
317.18964	1.4
317.22537	0.6
319.17126	0.5
319.20541	0.6
323.17941	0.5
325.16043	0.4
325.19467	0.5
327.17502	0.6
327.21085	0.9
328.18155	0.5
328.21741	2.8
329.18979	2.2
329.22342	0.5
331.17218	0.4
331.20554	12.2
332.20981	1.2
336.15277	0.4
338.20374	0.3
339.17410	0.8
339.21094	0.7
341.18927	0.8
341.22690	0.5
343.16922	0.6
343.20682	1.1
344.21176	0.4
345.13403	1.0
345.18250	0.4
345.22144	1.1
351.17355	0.7
351.21207	0.6
353.18970	0.9
353.22610	0.8
357.18289	0.5
357.22223	1.1
362.70981	0.3
367.20483	1.1
367.24484	0.5
369.18179	0.5
369.22238	1.7
371.20053	1.1
371.23776	0.8
381.25800	1.5
384.20917	0.6
385.21265	3.1
385.25510	0.9
391.24155	0.7
394.23218	0.4
397.21747	0.5
398.22269	0.4
399.23480	0.6
399.27173	4.5
400.27475	0.5
409.25241	9.0
410.25641	1.2
412.24503	0.4
427.26337	100.0
428.26645	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.5
53.03958	6.8
55.01870	8.9
55.05512	100.0
56.05835	2.3
57.03442	13.5
57.07070	2.9
59.04993	3.8
65.03935	2.3
67.05505	35.8
69.03432	11.1
69.06731	1.6
69.07072	21.2
71.04996	8.1
71.29348	1.3
72.59011	1.2
79.05492	72.0
80.05820	1.8
81.03419	74.4
81.07056	51.7
82.03745	2.6
83.04983	22.1
83.08620	57.7
85.02905	32.4
85.06559	3.1
91.05477	34.2
91.06013	2.8
92.05803	1.5
93.07033	18.8
95.04971	30.7
95.08607	15.4
97.02908	3.5
97.06525	4.8
97.10175	52.2
99.08066	1.8
105.07029	27.3
106.07337	1.7
107.04948	5.9
107.08591	34.2
109.06493	8.2
109.10158	4.5
111.04443	3.5
111.08094	13.3
113.06017	2.9
119.08579	23.1
120.58253	1.5
121.06505	2.6
121.10128	11.7
123.08061	3.3
123.11708	3.9
125.09629	42.0
129.07002	8.6
131.08562	13.2
133.06525	3.3
133.10147	10.0
135.08073	3.3
137.06038	2.3
137.09561	2.0
142.07841	2.8
143.08617	2.0
143.10648	11.2
145.10164	4.2
147.08072	3.2
147.11674	18.2
149.09610	8.4
151.07646	2.1
157.10139	14.3
159.11824	2.2
163.11151	1.7
165.09123	1.7
165.12784	2.5
171.11621	1.7
175.11166	16.6
183.13811	1.5
193.12239	87.8
194.12662	3.1
199.13284	10.5
211.13298	82.4
212.13589	3.5
217.14326	7.4
238.78339	1.6
267.15921	8.7
285.16888	7.1
317.21140	5.3
335.22256	5.0
409.26096	8.2
427.26984	50.1
427.32654	3.2
428.27347	5.5
441.79181	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2844
Annotation	Azafrin
Peak:m/z	Relative Intensity
50.10710	3.2
53.03943	5.0
55.01875	4.8
55.05517	24.8
57.07091	5.5
59.05004	4.4
63.15271	2.9
67.05506	34.4
69.03432	5.4
69.07072	39.7
69.15407	9.5
69.15826	18.7
69.20212	4.1
71.05007	4.3
71.08624	4.3
77.82775	3.3
79.05494	19.5
81.07056	30.4
83.04987	22.7
83.08611	15.1
84.83035	3.2
85.06554	6.7
91.05482	21.0
93.07049	52.7
95.04975	7.7
95.08611	91.7
97.06525	5.0
99.04463	4.2
103.19157	3.4
105.07027	60.5
105.79461	3.3
106.07346	3.6
106.88312	3.2
107.08588	41.2
109.06533	12.7
109.10191	19.5
111.04449	8.5
111.08080	17.9
113.06002	4.0
114.64279	4.2
117.07034	13.4
119.08584	61.5
121.06512	11.2
121.10150	40.5
123.08080	21.7
123.11705	12.4
125.09649	5.4
128.06215	5.5
129.06999	15.4
131.08583	39.5
133.10146	42.6
135.08046	12.2
135.11688	14.9
137.05972	4.4
137.09624	6.4
139.07547	9.8
141.09090	11.3
142.07753	19.4
143.08566	68.6
144.09319	6.3
145.10109	60.3
147.08054	11.2
147.11667	29.4
149.09660	9.0
149.13242	9.9
149.91104	3.6
155.08548	15.5
156.09326	13.7
157.10121	83.4
158.10793	8.5
159.07970	5.2
159.11681	58.9
161.09607	18.6
161.13284	22.9
163.11179	13.3
165.06992	4.9
169.10165	21.9
170.10930	7.7
171.11688	52.9
172.12276	4.5
173.09601	9.0
173.13289	25.7
175.11177	16.0
175.14862	4.9
179.10722	5.6
181.10135	7.1
183.11716	23.8
184.12418	5.1
185.09586	5.1
185.13286	26.7
186.13986	5.6
187.11237	12.8
187.14825	33.0
189.09120	5.3
189.12755	15.1
189.16374	8.7
191.14304	4.5
195.11708	13.4
196.12469	6.1
197.09460	3.3
197.13228	16.2
198.14029	3.8
199.11218	6.5
199.14838	27.3
201.12735	11.7
201.16348	11.1
203.10689	6.3
203.14284	5.1
205.12199	3.6
207.11864	5.2
209.13239	9.7
211.11276	6.4
211.14839	15.7
213.12720	13.6
213.16362	10.0
215.14371	11.6
215.17847	5.2
217.12263	5.5
219.13858	4.1
223.14771	8.7
225.12807	5.9
225.16399	15.2
227.14349	7.3
227.17926	63.2
228.18425	4.7
229.15950	17.6
231.13727	5.3
231.17590	4.0
235.14853	3.7
237.16447	6.8
239.06992	4.0
239.14212	4.1
239.17868	9.8
241.15823	7.9
241.19495	14.3
243.21146	6.2
245.15436	6.0
251.17902	12.3
253.15918	5.7
253.19560	9.9
255.17511	9.5
257.22427	4.3
265.15958	4.5
266.05563	5.0
267.06412	3.7
267.17438	5.9
268.21912	10.6
269.18988	21.4
271.20462	4.5
287.20026	9.6
295.20575	5.6
297.18423	4.0
299.19977	5.0
309.07562	7.9
311.20093	5.4
325.06900	7.6
327.19681	4.3
327.23260	15.5
335.05539	4.3
349.25409	6.9
351.23181	29.9
363.26913	7.9
367.26337	100.0
368.08896	4.9
368.26743	11.8
369.24261	86.4
370.24542	7.5
381.27817	20.3
383.29480	8.6
385.27472	40.2
391.26242	23.5
409.27365	99.9
410.27744	15.1
426.51480	3.8
427.10443	5.1
427.28354	44.6
428.28766	6.5
452.84967	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.6
53.03941	5.8
55.01867	2.8
55.05516	40.2
56.05858	1.8
57.03436	1.8
57.07088	4.5
65.03944	3.6
67.05173	3.2
67.05506	39.2
67.05843	3.5
69.03441	3.6
69.07061	10.7
69.09272	13.9
69.09667	4.0
71.04994	4.6
79.05495	40.1
80.25804	2.1
81.06583	3.4
81.07056	60.4
82.07391	3.0
83.04980	46.2
83.08622	3.5
84.05315	4.0
85.06548	4.9
91.05483	50.1
92.05820	2.3
93.07041	79.2
94.07354	3.1
95.04962	13.1
95.08607	100.0
96.08929	3.6
97.06535	7.6
99.04448	6.6
100.74207	1.9
103.05442	3.1
105.07032	96.6
106.07361	3.1
107.07858	3.9
107.08595	81.7
109.06513	10.2
109.09373	2.6
109.10152	49.4
111.04446	8.9
111.08075	13.1
111.92077	1.8
113.06066	3.5
115.05422	4.0
117.07014	28.6
119.08583	86.8
120.08905	2.1
121.06517	13.6
121.10140	47.5
122.10470	2.8
123.08085	12.9
123.11733	12.8
125.06032	2.3
125.09631	3.6
128.06233	5.5
129.06998	13.8
130.07814	2.4
130.74707	1.7
131.07570	2.4
131.08562	55.7
133.06522	5.7
133.10132	73.8
135.08066	16.9
135.11700	26.9
137.05989	4.0
137.09596	3.8
139.07500	9.7
141.07004	6.7
141.09093	4.9
142.07790	8.3
143.08560	32.7
144.09317	3.2
145.06514	3.6
145.10129	72.8
146.10466	4.3
147.08067	11.9
147.11690	62.8
148.12085	2.3
149.09644	16.7
149.13261	10.9
151.11255	6.3
153.09108	5.4
155.08549	10.7
155.10651	2.3
156.09390	6.0
157.10133	45.5
158.10649	4.0
159.08055	14.4
159.11685	44.7
160.12321	2.7
161.09622	16.2
161.13287	14.4
163.11166	9.0
163.14868	5.2
167.10670	10.8
169.10124	15.4
170.10777	4.1
171.08147	4.0
171.11678	29.7
172.08865	3.8
172.12198	2.3
173.09598	14.9
173.13269	28.5
175.11168	22.5
175.14867	9.3
177.09061	3.1
177.12755	9.0
179.08611	3.1
179.10698	8.9
181.10133	8.5
181.12259	4.0
183.11703	13.9
184.12241	2.1
185.09630	8.6
185.13246	23.9
186.10609	2.3
186.13757	2.9
187.11124	11.3
187.14827	13.1
189.12750	21.1
191.10689	7.4
191.14348	5.2
193.10330	4.2
193.12300	10.9
195.11707	9.2
195.13789	4.3
197.09657	2.9
197.13330	8.7
199.11148	6.6
199.14789	11.8
201.12749	15.4
201.16441	2.8
203.10713	2.5
203.14352	5.5
205.12305	5.9
207.11852	3.4
207.13780	25.1
209.13264	6.2
211.11247	3.9
211.14799	7.1
213.12682	17.6
213.16260	8.9
215.14343	13.6
217.12300	3.9
219.13777	9.7
221.13377	3.4
221.15396	7.8
223.14815	6.3
225.12769	4.4
225.16406	6.2
227.14256	10.3
227.17993	5.1
229.12317	2.3
229.15762	5.0
231.13832	7.6
233.13391	2.0
233.15306	9.8
235.14838	3.7
235.16945	2.6
239.14371	2.7
239.17999	2.1
241.15852	5.6
241.19559	3.7
243.17555	2.9
245.15442	14.4
247.16905	6.1
249.18584	3.1
251.17943	12.1
253.15852	2.1
253.19492	4.5
257.15411	2.6
259.16931	6.0
263.18103	3.6
267.17337	3.6
269.19058	16.5
270.19333	2.4
271.10855	1.8
271.20572	3.0
273.18649	3.7
279.17456	2.2
281.19055	3.0
285.18582	5.1
287.20074	29.9
288.20895	2.6
295.20477	5.5
299.20105	4.1
313.21606	3.8
328.24011	2.8
363.26697	6.6
373.25275	8.5
381.27795	15.7
391.26291	39.2
392.26746	6.1
409.27380	37.3
410.27646	6.8
427.28360	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2842
Annotation	Stypoquinonic acid
Peak:m/z	Relative Intensity
50.86604	8.7
52.09205	8.1
55.05516	15.3
67.05502	27.0
69.07078	12.8
69.70709	46.4
76.32165	10.7
81.07053	24.8
83.04958	12.9
91.05479	17.4
93.07045	34.3
95.08594	42.9
105.07043	30.2
107.08590	28.2
109.10156	11.0
117.07007	9.6
119.08582	38.3
121.06526	10.3
123.08100	13.8
129.06996	11.5
131.08578	17.5
133.10124	16.7
135.11626	11.6
136.74536	8.7
143.08586	22.0
145.10127	25.5
147.11707	24.3
157.10165	29.5
159.11679	16.9
161.09639	20.3
171.11739	30.4
171.94302	8.7
173.13332	20.2
175.11174	15.2
185.13226	17.1
187.11229	12.1
187.14839	19.0
197.49191	9.7
199.14795	15.5
211.14821	15.2
213.16260	8.8
225.16310	12.5
227.14323	12.1
229.15836	22.7
241.19464	15.1
255.17432	14.5
269.18954	13.0
351.23260	27.8
367.26288	39.3
369.24280	100.0
381.27689	12.8
391.26401	18.4
409.27377	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2844
Annotation	Azafrin
Peak:m/z	Relative Intensity
51.04488	2.8
53.03944	6.6
55.01878	5.1
55.05513	17.4
57.07081	4.7
60.05017	3.0
65.03939	3.3
67.05514	27.9
69.03443	5.1
69.07087	12.0
69.09409	28.3
71.04994	4.5
79.05493	33.4
80.15601	3.5
81.07060	49.1
83.04995	16.2
83.08636	7.6
85.06592	6.6
91.05479	36.2
93.07043	73.3
93.95381	2.8
95.05004	9.2
95.07983	4.1
95.08607	86.2
96.08948	3.3
97.02918	3.4
97.06558	7.2
98.22527	6.4
99.04507	3.6
105.07030	70.9
107.08595	49.7
107.09258	2.9
109.06561	12.9
109.10172	31.6
111.04508	4.3
111.08092	14.2
113.83814	2.7
115.05463	4.3
117.07056	11.1
119.08576	84.4
120.08996	3.4
121.06545	12.7
121.10146	32.7
121.71292	2.9
123.08079	24.2
123.11729	5.2
125.09657	4.4
127.07507	4.1
128.06291	3.1
129.07037	10.7
131.08589	34.9
131.09514	4.0
133.10136	46.3
135.08076	18.6
135.11678	18.5
136.08461	3.2
137.09637	7.1
139.07562	10.8
141.07004	3.9
141.09148	4.9
142.07788	6.3
143.08557	29.3
144.09340	3.3
145.10126	40.2
147.08076	6.6
147.11699	30.7
147.12544	2.9
149.09669	11.6
152.06340	3.4
155.08609	12.6
156.09413	8.8
157.10114	35.4
159.08136	5.2
159.11696	46.8
161.09572	22.6
161.13246	18.6
163.11217	7.2
167.08652	6.2
169.10149	22.4
171.08278	3.4
171.11687	45.1
172.12068	2.8
173.09705	9.0
173.13289	33.9
174.13853	5.1
175.11253	12.3
175.14876	4.8
177.12817	3.4
179.08600	3.6
179.10789	10.6
180.09425	5.1
181.10207	5.3
182.10948	4.3
183.11696	18.8
185.09644	7.0
185.13246	24.9
187.11247	8.6
187.14911	9.8
189.12837	11.6
191.10869	3.1
191.14345	4.5
193.10176	5.7
193.12244	4.1
195.11668	15.2
196.12462	4.2
197.09630	3.6
197.13353	13.1
199.11246	8.4
199.14835	15.9
201.12868	8.9
201.16406	3.8
203.14484	6.6
205.12337	6.0
207.11774	6.7
207.13875	8.0
209.13359	13.2
211.11250	4.9
211.14803	13.7
213.12717	14.0
213.16466	10.2
214.16864	2.9
215.14442	8.1
219.11824	3.5
219.13919	3.8
221.13391	4.0
221.15297	21.8
223.11305	4.1
223.14946	9.2
225.12834	4.8
225.16420	7.9
227.14372	6.1
227.17896	5.4
229.16049	4.1
231.11774	3.3
231.13889	6.9
233.13287	6.1
233.15443	6.0
235.14938	5.5
237.16411	7.8
241.15965	7.8
241.19536	5.1
245.15511	5.3
247.17096	10.1
249.16368	6.5
249.18497	21.4
251.18022	24.9
253.19655	5.1
257.13260	3.3
259.14618	3.1
259.17102	6.1
261.13153	3.0
265.16037	3.8
267.17590	8.8
269.19052	28.8
270.19687	3.3
271.17346	3.7
271.20557	3.8
273.18698	7.2
286.19370	3.8
287.20056	81.8
288.20578	5.6
289.21909	4.1
295.20673	6.7
299.20151	4.2
303.17499	3.9
313.21863	8.7
327.23358	7.5
331.20718	3.5
351.23535	4.4
363.23209	5.1
367.26593	9.3
369.24197	13.6
373.25443	7.6
381.23932	3.9
381.27905	17.3
391.22473	4.9
391.26508	38.4
392.27032	6.1
409.27658	64.6
410.27869	7.8
427.10251	3.1
427.28455	100.0
428.28821	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.3
55.05519	18.1
56.05837	3.1
56.38797	2.4
57.07072	2.6
59.04953	2.5
59.76828	2.1
67.05501	26.1
69.04546	24.5
69.07061	9.1
75.39513	2.3
79.05486	36.7
81.07055	56.3
83.04984	22.3
84.05329	2.3
91.05477	43.8
91.06010	3.9
92.05772	3.5
93.07046	75.9
93.28957	2.1
95.04974	6.9
95.08604	83.1
96.08968	3.5
97.06526	9.1
99.04433	3.2
103.05431	3.1
105.07030	88.4
107.08593	100.0
109.06529	10.8
109.10146	25.5
111.04447	7.7
111.08089	8.5
113.06032	2.7
115.05441	3.2
117.07019	19.5
119.08574	73.3
121.06479	11.5
121.10135	47.3
123.08082	11.5
123.11676	6.2
125.09625	4.9
127.51935	2.6
129.06992	8.5
130.07823	3.5
131.08580	44.8
133.06525	5.5
133.10135	74.3
135.08041	15.1
135.11690	18.1
137.05986	2.6
137.09624	3.5
139.07544	7.9
141.06960	3.5
141.09192	3.5
142.07785	9.3
143.08571	24.9
144.09358	4.1
145.10115	60.5
147.08043	13.4
147.11679	71.8
148.11986	3.3
149.09648	29.5
149.13274	5.1
151.07608	2.7
151.11176	3.9
153.09122	6.8
154.07813	2.7
155.08524	13.5
156.09328	6.0
157.10121	27.3
159.08101	14.7
159.11702	38.7
161.09607	15.5
161.11971	2.8
161.13168	13.1
163.11159	5.5
165.09129	3.8
167.10684	31.6
168.09332	3.2
169.10115	12.1
171.08060	4.4
171.11702	28.8
172.08789	5.9
173.09616	14.1
173.13271	27.0
174.13741	2.7
175.11217	22.7
175.14798	5.4
177.09166	5.4
177.12746	8.2
179.10648	8.4
180.09459	2.8
181.12224	4.1
183.11722	7.4
185.09662	3.4
185.13243	17.0
187.11180	9.6
187.14911	8.8
189.12769	25.3
191.14320	7.4
193.12244	20.3
195.11693	6.8
196.12308	2.6
197.09662	3.2
197.13268	5.2
199.11174	8.4
199.14859	9.2
201.12755	14.7
201.16286	3.3
203.14297	5.9
205.12279	4.8
207.13809	37.2
211.14835	4.2
213.12752	16.0
213.16415	5.6
215.14354	8.5
217.15836	4.0
219.13800	16.3
221.13510	2.8
221.15428	10.3
223.14882	4.8
223.97237	2.7
227.14301	11.0
227.17879	6.5
229.15808	6.2
231.13799	9.7
233.15396	8.5
237.16356	2.9
241.15932	5.8
241.19489	2.8
243.17535	3.0
245.15344	7.6
247.16942	6.2
251.17958	9.4
253.19540	6.7
255.17435	2.9
267.17389	3.3
269.19119	13.2
277.15796	2.5
285.18341	2.7
287.20129	21.9
289.21823	3.5
295.20514	4.0
309.21936	3.5
313.21783	4.7
335.23633	4.0
353.24484	4.6
363.26740	9.5
373.25229	8.1
381.27893	12.1
391.26306	42.4
392.26492	4.9
409.27405	46.6
410.27740	4.8
427.28378	23.5
428.29037	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2843
Annotation	Dehydrobisgravillol
Peak:m/z	Relative Intensity
53.03938	2.7
55.01869	2.8
55.05510	18.5
57.07077	2.6
65.03937	1.4
67.05505	13.6
68.79620	1.2
69.07069	18.8
69.37028	7.8
71.04646	1.1
71.04991	6.5
79.05487	18.1
81.07057	27.7
82.07396	1.6
83.04989	8.6
83.08607	6.1
83.29357	1.1
85.02918	1.4
85.06541	5.9
85.39116	1.2
91.05479	22.5
91.06007	1.9
93.07042	44.4
95.04971	3.9
95.08603	31.4
97.06535	5.4
98.22646	1.7
99.04451	21.3
101.06029	6.0
101.06593	1.2
103.05466	2.3
105.07029	52.2
106.07340	1.6
107.08591	47.4
108.03456	1.3
108.08914	1.5
109.06522	5.0
109.10168	13.9
111.08064	1.8
115.05465	2.9
117.07003	16.0
119.08576	64.1
121.06502	4.9
121.10142	40.8
123.08088	4.5
123.11705	4.2
127.07540	2.6
128.06253	5.2
129.06993	9.9
129.66418	1.2
130.07779	4.7
131.08568	41.3
132.08910	2.3
133.06506	4.9
133.10123	53.4
134.10474	2.5
135.08026	9.1
135.11676	19.6
137.09616	2.2
141.06989	1.7
141.09053	1.6
142.07771	6.5
143.08575	25.2
144.09334	5.4
145.06506	1.7
145.10109	53.4
146.10606	2.1
147.08028	8.2
147.11671	32.1
149.09641	5.3
149.13245	6.9
151.11148	1.3
153.09129	6.5
154.07816	1.4
155.08559	9.7
156.09344	3.8
157.10124	26.3
157.11420	1.6
158.10852	3.4
159.08069	7.2
159.11697	46.0
160.12125	2.6
161.09625	16.3
161.13252	13.3
163.07541	3.1
163.11163	9.4
163.14835	2.5
165.09134	4.8
167.08577	3.3
167.10664	3.0
168.09438	1.6
169.10144	13.6
170.10904	2.4
171.08116	2.1
171.11661	19.5
172.12215	1.4
173.09613	11.0
173.13272	21.2
175.11176	12.5
175.14838	5.5
177.09079	6.0
177.12746	8.3
179.10657	11.7
181.10159	4.7
181.12198	12.4
182.10976	2.5
183.11676	14.0
184.12311	2.7
185.09570	7.2
185.13255	10.0
187.11151	6.8
187.14845	6.2
189.12726	11.8
191.10666	11.0
191.14372	3.9
193.10390	1.7
193.12212	14.0
194.12579	1.7
195.11681	5.1
195.13834	9.9
196.12482	2.1
197.09537	1.5
197.13231	13.6
198.13757	1.3
199.11183	4.6
199.14810	8.5
201.12720	8.3
201.16411	2.2
203.10703	4.2
203.14383	5.0
205.10310	2.4
205.12227	18.6
207.11775	3.2
207.13828	13.0
209.13255	7.6
209.15398	7.0
210.14044	1.3
211.11139	2.3
211.14807	8.5
213.12715	3.1
213.16423	3.3
215.14296	7.8
217.12263	5.0
217.15875	1.9
219.11707	2.1
219.13760	23.0
220.14120	1.7
221.13385	2.1
221.15419	8.9
223.14801	4.2
224.15405	1.4
225.12804	2.8
225.16350	4.9
227.14256	4.6
229.12228	2.9
229.15932	1.9
231.13838	5.7
233.13153	1.9
233.15376	15.6
234.15547	1.8
235.14842	2.4
235.16844	7.7
237.16397	3.4
239.14326	4.2
239.18015	3.0
241.15919	3.2
243.13789	3.6
245.13181	1.8
245.15367	10.4
247.14813	1.8
247.16946	8.3
251.14459	1.6
251.17931	1.7
253.15877	2.9
253.19591	2.8
257.15448	4.5
259.16919	5.4
261.18558	2.6
265.16031	1.5
267.17587	2.9
267.21082	2.4
269.15408	1.9
271.16940	6.0
273.18604	1.8
279.17606	1.8
281.22690	1.8
283.16873	4.0
285.18347	3.0
287.20410	1.8
293.19308	1.7
295.24167	2.3
297.18494	1.9
299.20117	4.4
307.20602	1.9
309.22372	1.4
311.20135	3.3
313.21652	4.2
321.22263	1.7
325.21640	2.1
326.22482	1.7
327.23151	5.8
345.25937	1.6
349.21631	11.8
349.25281	2.3
354.25555	4.3
355.24109	1.4
357.20612	2.5
363.26801	2.7
367.22684	3.1
367.26407	4.9
371.22189	3.5
373.25198	7.5
381.27930	4.5
391.26297	23.2
392.26736	3.0
409.27304	17.9
410.27667	1.9
427.28406	100.0
428.28918	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71646	3.9
55.05525	24.5
65.03928	4.2
67.05511	40.9
69.07082	12.7
69.12137	18.9
69.12542	10.8
73.73042	3.9
79.05489	41.2
80.69224	3.7
81.07047	59.3
83.04981	41.8
83.08580	5.2
84.05320	8.3
85.06527	4.7
91.05484	49.5
93.07044	82.1
95.04960	5.2
95.08608	100.0
96.60718	3.7
97.06552	10.4
97.10189	5.2
105.07030	86.8
105.07673	6.5
106.07383	4.9
107.08598	76.1
107.09282	5.3
109.06537	5.9
109.10158	43.8
111.04457	8.3
111.08095	12.4
117.07044	23.5
119.08582	76.6
120.08968	4.3
121.06519	10.5
121.10149	43.0
123.08062	16.1
123.11735	12.8
125.09712	4.3
128.06198	7.7
129.07010	16.1
131.08580	50.9
133.06483	4.4
133.10133	72.9
133.11084	7.1
135.08086	12.6
135.11697	28.0
135.67575	4.4
137.09604	8.5
139.07550	9.0
142.07823	9.4
143.08577	33.0
144.48315	3.7
145.10126	63.8
147.08055	7.9
147.11685	56.0
148.12138	4.0
149.09622	15.4
149.13293	12.8
149.60968	4.1
151.14803	3.6
153.09096	3.8
155.08572	10.5
156.09344	6.3
157.10110	40.3
159.08096	11.5
159.11693	48.2
161.09645	14.2
161.13274	15.2
163.11180	7.8
165.09125	8.6
167.10693	11.8
168.09367	4.9
169.10168	16.9
171.08080	4.3
171.11697	34.5
172.08849	3.8
173.09645	15.3
173.13255	30.1
175.11169	21.3
175.14828	5.2
177.09253	5.9
177.12790	8.7
179.08472	4.7
179.10701	9.1
181.10184	9.2
181.12207	5.4
183.11731	13.3
185.09676	9.6
185.13187	23.9
187.11195	11.7
187.14876	14.6
189.12720	22.3
191.10751	7.2
191.14319	8.4
193.10500	3.8
193.12268	17.2
195.11702	10.2
197.13304	13.0
199.11217	8.9
199.14886	9.1
201.12744	14.1
203.14520	4.2
205.12267	8.3
207.12071	5.5
207.13817	20.5
209.13307	8.8
211.14865	8.9
213.12819	12.7
213.16335	6.7
215.14343	12.9
215.48340	4.0
217.12177	5.1
219.13812	11.1
221.13330	6.7
221.15443	8.6
227.14366	10.3
229.15921	4.7
231.13882	10.3
233.15411	10.7
239.14374	5.1
241.15976	4.6
245.15477	18.8
247.16953	5.1
249.98892	4.2
251.17992	11.8
267.17340	5.4
269.19006	13.2
273.18536	5.2
287.20099	30.0
295.20514	4.1
328.23721	5.4
331.20612	4.5
363.26611	5.8
373.25168	9.3
381.27774	12.1
391.26337	43.3
392.26480	6.6
409.27393	47.5
410.27603	7.1
427.28149	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2844
Annotation	Azafrin
Peak:m/z	Relative Intensity
55.05499	28.2
57.07076	7.0
67.05505	33.2
68.95813	7.4
69.07061	40.2
69.14768	56.0
69.15111	10.7
71.08630	12.6
71.79061	6.9
79.05492	24.9
81.07042	34.4
83.04983	19.8
83.08635	13.3
87.04740	6.4
88.98605	6.8
91.05462	21.0
93.07054	47.4
95.08611	91.0
97.06501	9.0
98.23380	16.2
105.07040	55.2
107.08607	46.6
109.06522	8.5
109.10162	24.1
110.26006	9.4
111.08098	11.4
117.07014	8.1
119.08584	66.0
120.75362	7.5
121.06494	12.6
121.10112	32.4
123.08082	22.6
123.11721	11.4
125.09677	11.5
129.07018	11.6
130.80260	6.2
131.08578	27.8
133.10097	41.5
135.08060	8.9
135.11676	19.7
139.07539	8.0
141.06987	8.7
141.09071	10.3
142.07809	14.4
143.08569	48.3
145.10120	59.5
147.08191	7.4
147.11635	34.7
149.13286	8.4
155.08528	12.0
156.09312	12.2
157.10126	80.8
159.08138	9.3
159.11693	42.4
161.09612	25.1
161.13261	21.1
169.10120	22.3
171.11702	52.1
173.13217	29.7
175.11165	24.5
181.10158	6.8
182.10907	6.5
183.11697	28.2
185.09622	7.6
185.13290	32.8
187.11166	15.3
187.14841	24.9
189.12764	14.4
189.16328	8.3
195.11661	13.3
197.13222	16.4
199.11198	7.7
199.14810	20.4
201.12842	8.3
203.10594	13.9
209.13069	9.3
211.14841	27.7
213.12622	8.5
213.16431	21.4
215.14368	8.1
225.16394	12.7
227.14304	11.1
227.17937	62.4
229.15865	11.8
241.16136	8.1
241.19479	13.8
251.17926	8.4
253.19447	8.8
255.17300	8.5
269.18958	19.9
295.20602	9.3
327.23196	11.5
351.23135	30.8
363.26843	7.6
367.26324	100.0
369.24185	78.8
370.24561	9.8
381.28024	22.1
385.27368	50.6
391.26193	21.9
407.65308	7.6
409.27344	97.0
410.27805	13.6
427.28265	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2844
Annotation	Comnostin E
Peak:m/z	Relative Intensity
53.03949	4.8
55.05513	27.0
57.07074	4.5
59.04988	4.2
67.05505	38.7
69.03407	6.8
69.07075	27.8
71.04993	3.7
72.46076	2.4
75.59861	3.1
79.05494	23.7
81.03419	3.3
81.07058	47.7
82.07375	3.0
83.04984	28.6
83.08624	10.6
85.06580	4.5
85.30372	3.3
91.05470	26.0
91.40572	2.8
93.07037	56.4
95.04971	12.8
95.08608	100.0
97.06538	10.0
97.10201	6.9
98.23389	9.7
105.07038	60.1
107.08601	54.1
109.06523	10.9
109.10164	26.4
111.04457	11.0
111.08087	14.0
113.06007	4.0
117.07027	10.4
119.08582	68.1
121.06526	11.0
121.10127	34.2
123.08079	31.9
123.11725	12.6
125.06024	3.3
125.09669	5.7
128.06247	7.7
129.07033	10.6
130.07852	4.7
131.08562	33.6
133.10144	46.7
133.92313	3.1
135.08066	11.7
135.11655	14.5
137.09627	8.4
139.07584	9.8
141.06981	6.5
141.09123	12.2
142.07814	15.4
143.08559	49.5
144.09325	5.0
145.06485	3.6
145.10132	56.6
147.08052	11.5
147.11678	27.3
149.09637	11.7
149.13277	7.0
155.08559	9.5
156.09384	8.7
157.10120	72.1
158.10710	4.2
159.08099	8.5
159.11688	43.5
160.12065	3.3
161.09618	23.7
161.13251	22.5
163.11275	8.6
167.08630	6.2
168.09369	4.2
169.10120	26.7
170.10918	4.9
171.08076	3.3
171.11687	55.1
172.12114	4.8
172.56480	3.4
173.09622	15.7
173.13278	33.3
175.11218	14.4
175.14821	6.9
177.09270	3.0
177.12753	6.7
179.08531	8.2
179.10652	5.5
181.10143	8.7
183.11719	17.9
185.09665	10.2
185.13264	29.8
186.13838	3.8
187.11160	13.7
187.14842	28.4
188.15311	4.7
189.09151	3.9
189.12769	20.6
189.14467	2.4
189.16435	10.5
191.08437	4.3
191.14285	3.8
193.10243	4.7
193.12218	3.9
194.10989	3.3
195.11740	12.1
196.12355	3.4
197.09575	3.4
197.13203	15.8
199.11215	8.3
199.14832	22.3
200.15361	3.7
201.12762	14.2
201.16371	6.0
203.10744	5.6
203.14461	5.3
203.18027	4.5
205.10223	4.1
205.12373	4.5
207.11838	6.0
207.13802	6.3
209.13242	17.4
211.14810	17.7
213.12755	8.6
213.16380	14.9
215.14334	9.9
215.17976	5.2
217.10150	5.1
217.12146	3.4
219.11679	6.5
219.13799	6.0
220.12280	3.2
221.13310	5.9
223.11388	3.5
223.14859	7.1
225.12758	5.0
225.16402	13.7
227.14331	11.0
227.17935	55.8
228.18427	4.2
229.15898	9.1
229.19478	4.3
231.11739	6.2
231.13847	6.4
231.17574	3.1
233.09756	4.3
233.13383	6.7
233.15366	6.5
233.36980	3.4
235.11057	5.9
235.14778	4.6
237.12808	6.5
237.16434	4.6
239.14326	5.1
239.17923	6.7
241.19618	7.5
243.11679	6.7
243.17351	3.7
243.21120	5.5
245.13243	14.0
245.15382	5.9
247.11295	3.1
247.14679	5.5
247.16951	6.0
249.16313	4.4
251.14297	3.4
251.18001	9.5
253.15846	4.4
253.19650	7.0
255.17552	7.5
257.13058	4.3
258.13953	4.1
259.14734	6.9
259.17108	3.9
261.12775	2.9
263.14471	5.4
265.15906	5.0
265.19492	3.4
267.17398	5.6
268.21844	2.8
269.19110	17.2
271.14813	4.4
271.20557	5.1
272.15488	3.6
273.13034	2.9
273.16367	5.4
277.19211	4.2
281.18896	4.6
285.16074	4.5
287.14725	4.1
287.17825	10.9
287.20187	12.2
289.16055	5.3
289.19412	5.5
292.22040	2.8
295.20673	4.7
297.18497	3.1
299.20221	3.4
303.17288	6.5
305.19043	4.1
327.23175	12.4
329.18994	3.7
331.20630	6.2
333.22336	4.0
341.21170	5.9
343.20593	6.7
344.21500	3.5
349.25357	6.8
351.23093	5.6
363.26550	4.6
367.26334	88.7
368.26666	9.0
369.24341	26.0
381.27914	21.0
383.29398	3.5
385.22110	2.8
385.27328	61.8
386.27707	8.4
391.26276	22.5
392.26694	4.6
399.27142	3.5
409.27481	71.9
410.27548	10.2
427.27048	63.7
428.27371	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.05265	1.1
55.05510	11.1
57.07078	6.2
57.71233	0.6
67.01864	2.1
67.05172	1.1
67.05502	11.8
69.03421	1.1
69.07069	29.4
71.08615	2.7
72.89677	0.6
77.03919	0.8
79.05507	5.6
81.06579	1.4
81.07056	29.1
83.04982	1.9
83.08622	13.1
85.02893	1.4
91.05476	5.7
92.32912	0.6
92.75211	0.6
93.07050	15.5
95.04974	1.7
95.08607	22.5
95.47634	0.6
97.10168	5.5
98.10564	0.5
98.21597	0.6
98.23455	1.3
99.08051	0.7
102.37730	0.6
105.07034	4.9
107.05007	0.5
107.08612	7.4
109.06546	1.3
109.10154	15.4
110.74666	0.6
111.08053	1.3
111.11687	2.7
117.07044	1.0
119.08577	6.3
121.06506	4.0
121.10157	5.3
122.07274	0.7
122.10506	0.6
123.08055	1.7
123.11698	6.4
125.13265	0.7
130.07874	0.6
131.08548	2.1
133.10110	4.0
135.08029	3.1
135.11697	5.6
137.05949	3.2
137.09595	6.2
137.13266	5.4
139.07550	7.4
141.05431	1.1
143.08588	1.2
145.10141	1.9
147.08014	1.0
147.11665	2.3
149.05991	6.8
149.09619	7.2
149.13235	3.2
151.07536	6.0
151.14862	0.8
153.05402	0.9
157.10165	1.1
159.08139	0.8
159.11702	2.5
160.08846	0.6
161.05972	1.0
161.09608	1.4
161.13228	1.0
163.07503	1.0
163.11153	4.4
163.14819	1.4
165.05478	6.5
165.09119	63.6
166.09485	2.1
167.07039	100.0
168.07315	3.6
171.11635	1.1
173.09654	2.3
173.13301	1.2
175.07571	2.0
175.11205	2.1
175.15019	0.8
176.08272	0.8
177.05650	0.6
177.09100	5.2
177.12759	1.4
177.16362	0.8
179.07076	1.4
179.10666	2.4
181.08609	1.5
183.11530	0.6
185.13206	0.6
187.11205	1.2
188.08348	0.8
189.09116	3.2
189.12712	1.7
190.09912	1.1
191.07059	1.8
191.10658	5.9
193.08614	1.1
199.11191	0.8
201.09146	0.9
201.12723	0.8
203.10672	4.7
203.14375	1.0
205.08656	2.9
205.12253	8.3
206.12648	0.8
207.10162	3.6
215.10658	1.0
215.14200	0.6
217.12149	1.6
219.10110	1.2
219.13795	2.0
221.11716	1.3
231.13795	1.8
233.11670	1.9
233.15506	0.7
245.15514	0.8
247.13416	0.9
247.16895	0.8
261.25891	0.7
345.27820	0.8
377.36908	0.7
399.32751	1.7
409.30707	1.0
427.15540	1.1
427.31802	4.7
427.35910	4.4
440.36600	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
54.75057	0.3
55.05509	3.9
57.07061	1.5
66.86984	0.3
67.01863	1.4
67.05505	6.4
69.03425	0.5
69.06472	0.4
69.07070	9.3
69.29803	1.7
71.08612	0.6
76.85835	0.3
79.05482	2.9
81.07056	16.8
83.04958	0.7
83.08630	3.8
85.02894	1.0
91.05473	2.7
91.61330	0.4
92.05797	0.3
93.06473	0.6
93.07042	10.4
93.51044	0.3
94.07371	0.5
95.08605	12.1
96.08976	0.4
97.10156	1.9
98.22566	0.6
105.07014	1.5
107.08601	3.7
109.06482	0.8
109.10151	8.1
110.10497	0.3
111.08093	0.7
111.11688	1.2
119.08570	1.4
121.06507	2.8
121.10147	3.1
123.08070	0.3
123.11699	4.5
131.08586	0.4
133.10143	1.2
135.08034	1.0
135.11726	2.8
135.83412	0.4
137.05971	2.5
137.13248	3.6
139.07516	5.0
141.05438	1.0
145.10110	0.9
147.11656	1.0
149.05980	5.6
149.13216	2.4
151.07524	3.1
151.14832	0.5
153.05482	1.1
153.44031	0.4
157.10153	0.6
159.08151	0.4
159.11717	0.7
161.05945	0.5
161.09595	0.6
161.13219	0.4
163.11192	0.5
163.14888	0.7
165.05461	4.7
165.09135	1.2
166.06195	0.8
167.07036	100.0
168.07368	3.0
171.11646	0.4
175.07527	0.6
177.05435	0.5
177.09097	0.7
177.16350	0.6
179.07037	0.8
181.08620	1.1
187.11206	0.5
189.09138	1.2
191.07019	1.3
191.17944	0.5
193.08568	0.6
195.10196	0.5
201.09064	0.8
203.10635	0.9
205.08559	1.4
205.12167	0.7
205.19504	0.7
207.10176	3.2
215.10655	0.6
219.10185	1.0
221.11688	0.8
231.10201	0.4
233.11748	1.4
247.13274	1.0
261.25760	0.6
273.25797	0.4
279.07285	0.4
311.20135	0.5
381.31726	0.6
409.30972	0.5
427.31967	5.9
428.32245	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
53.03948	1.3
55.01864	0.4
55.05511	5.2
57.07068	1.8
63.59990	0.3
65.03942	0.7
67.01859	2.3
67.05507	7.9
69.03426	0.3
69.07069	10.4
71.08624	0.5
78.04691	0.4
79.05491	4.0
80.05850	0.3
81.03398	0.3
81.07059	22.7
82.07402	0.5
83.04980	1.1
83.08620	4.4
85.02888	0.8
87.30204	0.3
89.10513	0.3
91.05479	3.6
93.07045	13.1
94.07362	0.4
95.01307	0.3
95.04977	1.0
95.08607	15.4
96.08937	0.6
97.10174	2.2
105.04547	0.4
105.07031	2.3
107.08598	4.5
109.06535	1.4
109.10157	10.4
110.10480	0.3
111.08074	0.8
111.11702	0.7
117.06999	0.5
119.08573	1.6
121.06509	3.3
121.10152	2.4
123.08060	1.1
123.11708	5.1
124.12013	0.3
125.13288	0.4
131.08562	0.5
133.06442	0.3
133.10141	1.1
135.08070	0.7
135.11708	2.6
137.05980	3.6
137.13248	3.9
139.07541	5.7
141.05484	1.3
143.08575	0.4
145.10101	0.9
147.08029	0.8
147.11700	0.5
149.05975	6.7
149.13255	2.4
151.07533	4.0
151.14815	0.7
153.05423	0.9
157.10112	0.7
159.08018	0.6
159.11632	0.5
161.05948	0.8
161.09639	0.5
161.13239	0.5
163.07553	0.5
163.14857	0.8
165.05476	5.8
165.09091	1.5
165.16400	0.4
166.06224	0.4
167.07037	100.0
168.07376	3.0
173.09538	0.4
173.13344	0.4
175.07518	1.2
175.11211	0.4
177.05453	0.8
177.09117	0.7
177.16318	0.5
178.06284	0.3
179.07021	0.9
181.08560	2.0
187.07559	0.4
187.11241	0.7
188.08328	0.4
189.09088	1.4
191.06992	1.5
191.10645	0.7
191.17876	0.4
193.08583	1.5
201.09140	0.8
203.10698	1.1
205.08540	2.0
205.12282	0.6
205.19545	0.4
207.10132	3.4
215.10683	0.8
217.12083	0.5
219.10226	1.8
221.11716	1.1
228.83490	0.3
229.12201	0.5
233.11725	1.6
235.13148	0.4
243.13625	0.3
245.11897	0.3
247.13313	0.6
260.53949	0.3
261.25781	0.4
275.16266	0.4
277.18024	0.3
291.19574	0.4
293.24518	0.3
358.24786	0.5
363.42337	0.3
399.30850	0.3
409.30911	0.7
427.32056	4.1
428.32193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15929	0.5
53.03939	1.4
55.05511	9.6
57.07082	5.3
59.81429	0.5
67.01871	0.6
67.05180	0.6
67.05507	8.8
69.07070	30.4
70.07400	0.5
71.08630	3.0
79.05489	3.2
81.07059	14.4
83.04966	1.8
83.08620	12.5
85.10172	0.8
91.05477	2.7
93.07057	6.3
95.04939	0.6
95.08610	13.0
96.08921	0.6
97.06555	0.6
97.10185	6.0
101.62526	0.5
105.07008	2.1
107.08607	5.4
109.06509	0.8
109.10163	9.0
109.60170	0.5
111.11713	3.9
117.07027	1.1
119.08571	5.1
121.06528	1.3
121.10143	3.5
122.07303	1.5
123.08069	0.8
123.11725	3.9
125.13264	1.5
128.06274	0.5
131.08588	1.4
133.10107	1.4
135.08058	4.0
135.11671	2.3
137.05972	1.1
137.09615	8.4
137.13252	2.2
139.07530	3.5
143.08597	0.5
145.10143	1.6
147.07994	0.9
147.11720	0.5
149.06000	2.9
149.09612	10.1
149.13260	1.5
151.07562	3.1
151.14899	0.6
153.05472	0.7
157.10100	0.7
159.08067	1.0
159.11679	1.7
160.08879	0.6
161.06061	0.6
161.09607	1.2
161.13290	0.7
163.07538	1.4
163.11198	6.7
163.14813	0.9
165.05450	1.9
165.09119	100.0
166.09451	4.0
167.07043	34.0
168.07388	1.0
169.10051	0.5
172.08746	0.7
173.09634	1.7
173.13264	0.9
175.07584	2.9
175.11147	2.9
176.08347	1.2
177.09131	7.8
177.12666	0.8
179.10658	2.1
185.13254	0.8
187.11189	2.0
187.14713	0.6
189.09116	4.1
189.12752	1.5
190.09865	1.0
191.06918	0.7
191.10683	7.3
193.08586	1.0
193.55365	0.5
199.11121	0.9
201.12769	0.9
203.10680	8.8
203.14252	1.9
204.11264	0.6
205.08650	0.6
205.12234	12.2
206.12656	0.9
207.10144	1.1
215.14325	1.0
217.12236	2.2
219.13808	3.0
229.12126	0.5
231.13759	1.3
233.11816	0.7
233.15352	0.8
241.54379	0.5
245.15430	0.6
247.16977	0.7
275.20081	0.5
289.21744	0.6
290.55417	0.8
345.27979	1.3
397.14310	0.6
399.16486	0.6
399.32486	1.5
427.14981	7.0
427.31009	1.5
427.36374	7.7
428.15857	3.1
428.31738	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3571
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
50.51109	1.2
53.03941	1.9
55.05504	9.6
57.07077	17.8
67.05502	13.3
68.55618	1.6
69.07066	26.7
70.07392	1.5
71.08634	12.3
74.29107	1.5
79.05484	9.3
81.07058	42.2
83.04996	2.0
83.08624	9.8
85.10198	6.6
90.93860	1.4
91.05470	7.5
93.07051	16.2
94.07360	1.5
95.04974	1.7
95.08604	28.2
97.06535	4.9
97.10156	7.4
98.21069	1.5
105.07032	8.7
107.04935	2.1
107.08586	14.4
109.06508	10.9
109.10176	14.0
110.86517	1.5
111.11714	4.5
117.06991	3.1
119.08578	6.5
121.06486	8.3
121.10110	10.3
123.11710	5.1
127.07544	1.7
131.08560	5.4
133.10135	5.6
135.08055	5.7
135.11699	16.3
136.12024	1.4
137.05963	23.6
137.09607	3.7
137.13223	3.5
143.08612	3.9
145.10135	5.8
147.08055	1.9
147.11673	3.1
149.09624	6.0
149.13235	8.2
155.08569	1.8
157.10107	2.2
159.11656	2.3
161.09650	2.9
163.07626	1.7
163.14821	6.2
164.08392	4.0
165.09119	26.8
171.11702	2.3
172.90215	1.4
173.09616	11.8
173.13252	1.8
177.09169	3.7
177.16467	3.0
179.10730	1.9
179.17853	1.4
183.11726	1.4
185.13248	1.7
187.11188	1.6
189.12822	1.9
191.10620	6.7
196.78610	1.5
205.12091	2.1
213.12878	1.9
215.14299	2.0
217.12131	1.6
275.27448	7.4
287.20102	1.9
303.26837	6.1
392.12466	1.6
409.34509	3.5
418.32675	1.6
427.35703	100.0
428.36230	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3936
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
52.43974	4.7
55.05517	34.5
57.07082	17.6
67.05512	32.6
67.62959	4.6
69.07066	60.7
69.69184	23.7
71.08651	7.2
79.05504	17.6
81.07060	100.0
83.08627	31.7
85.06551	41.4
91.05500	17.6
93.07059	39.8
95.08610	84.6
97.10181	15.1
102.03465	5.0
105.07040	33.4
107.08604	45.7
108.09007	5.0
109.10155	65.2
117.06982	7.1
119.08588	45.4
121.10150	37.1
123.11684	39.0
131.08574	14.6
133.10153	26.5
135.11722	30.5
137.13283	12.3
142.32748	4.8
143.08525	5.7
145.10159	23.6
147.11696	27.0
149.09598	6.7
149.13289	15.5
157.10155	6.2
159.11690	28.7
161.13264	38.7
163.14838	17.8
165.09114	9.5
167.07117	7.0
171.11772	5.7
173.13251	30.4
175.11188	5.9
175.14850	11.5
177.16423	7.0
185.13287	6.5
187.14865	16.4
189.16415	13.6
191.17986	9.3
203.17955	8.1
213.16409	5.8
215.18028	18.7
217.19588	7.4
229.19521	34.9
231.21138	14.3
256.91354	5.2
257.22589	6.6
259.81879	5.8
271.24240	7.6
275.83868	4.9
285.25763	11.4
310.72958	4.8
329.56805	5.2
391.25928	5.8
427.39496	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41131	0.9
53.03933	1.3
55.01873	2.0
57.03441	2.4
59.04996	0.5
59.91912	0.4
61.02933	5.6
64.18359	0.4
68.05465	0.4
69.03431	10.8
69.19603	2.7
69.20012	0.8
70.02944	2.4
71.01349	0.7
71.04993	1.0
72.04510	0.6
73.02910	1.9
79.05487	2.0
81.03410	3.4
85.02906	22.5
87.04484	1.4
91.03950	1.8
91.05478	1.1
96.16401	0.4
96.63741	0.4
97.02282	0.8
97.02897	14.7
99.04470	1.1
103.05469	3.1
105.03358	0.5
106.06548	4.1
107.04966	2.0
109.02884	1.7
112.03954	1.3
115.03927	4.8
117.05756	0.7
118.06536	3.4
120.08049	0.4
127.03900	3.1
130.06529	9.0
132.04465	1.8
132.08083	1.5
133.04968	0.9
134.06010	17.5
135.06383	0.5
142.05020	0.5
142.06516	0.7
144.08089	5.0
145.04933	2.2
146.05991	1.4
154.06575	0.4
155.39220	0.4
158.06012	86.0
159.06380	4.1
160.07562	1.9
168.36983	0.4
172.07585	6.9
176.07066	11.0
177.40744	0.5
184.07587	1.8
186.05469	0.7
188.07082	2.0
198.24951	0.4
200.07069	6.4
202.08694	0.6
212.07141	0.4
218.08160	0.5
230.08006	2.5
248.09187	10.5
249.09691	0.5
266.10226	100.0
267.10580	5.5
309.39777	0.5
351.06686	0.5
368.08878	0.4
370.89465	0.4
404.29657	0.4
428.15640	4.7
429.15744	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
65.41920	0.7
68.53951	0.6
69.77847	1.0
69.78259	2.4
73.04762	1.5
73.79010	0.6
79.05495	3.6
91.05789	2.6
95.04964	0.9
98.18940	0.6
98.23350	0.9
103.05469	2.9
105.07027	100.0
106.07364	3.2
122.09661	42.6
123.09976	1.0
136.06187	1.1
139.03860	0.8
140.04251	1.0
167.05580	1.5
171.87485	0.6
230.22562	0.8
249.35973	0.7
259.92392	0.6
339.15430	0.7
359.02689	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57327	1.3
55.01865	6.1
56.89497	1.3
57.03437	16.6
59.04990	1.7
61.02926	4.9
69.03421	14.2
69.07055	3.3
69.22958	9.5
70.06577	1.4
71.01361	2.0
71.04987	5.3
71.08627	2.5
73.02917	16.9
73.04755	2.5
73.06561	5.1
73.47398	1.4
81.03429	1.8
85.02901	33.5
87.04435	1.8
91.05822	2.7
93.27158	1.3
97.02892	19.0
99.04423	2.1
99.08096	17.1
109.02924	4.2
111.04459	2.1
115.03918	8.1
117.09129	100.0
118.09463	2.3
122.59012	1.6
127.03919	11.7
133.04967	13.6
136.07594	4.0
137.05901	3.0
140.01651	3.0
145.04985	14.7
147.04370	1.5
150.07683	2.1
161.05931	4.0
162.58064	1.5
163.06024	5.3
164.07047	8.5
167.05574	2.3
177.05508	1.3
179.07021	13.5
182.08151	7.0
189.07191	1.8
190.53525	1.4
200.03798	2.0
205.55951	1.6
213.11192	2.6
221.08098	3.0
247.66324	1.5
259.10645	1.8
267.08722	3.6
267.11920	2.1
359.02789	2.5
428.20029	8.6
429.21191	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.4
57.03445	3.1
59.55880	2.5
61.02925	7.9
69.03440	14.3
69.07064	10.7
69.33399	20.4
73.02932	5.5
73.04750	3.4
81.03409	8.3
81.07041	3.1
85.02906	100.0
87.04474	3.3
91.03927	6.2
91.05801	4.7
97.02890	24.2
98.97566	2.8
109.02870	13.2
123.04455	13.0
124.04770	4.4
127.03915	34.4
135.04427	4.7
139.03888	18.6
140.04292	5.0
145.04965	53.1
151.03876	7.2
161.06096	3.3
163.03899	6.8
163.06012	25.3
164.04257	4.9
167.05565	3.9
195.10237	2.6
230.05261	3.4
248.06120	4.7
255.10310	2.7
259.05847	4.6
260.06335	3.6
276.05942	3.6
288.05835	5.5
289.07193	3.1
302.07120	3.1
303.08868	7.2
316.59845	3.2
359.02643	5.7
410.09424	7.4
428.19504	8.6
429.08221	6.9
429.21198	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88942	4.6
55.05494	10.3
57.03432	15.6
65.20641	5.9
67.05523	7.3
67.24983	5.5
69.03430	14.8
69.35359	21.8
69.35763	15.2
71.04997	35.5
73.02921	11.5
79.05472	6.4
81.07037	7.6
83.04982	18.9
83.08630	6.6
85.02908	89.4
87.04506	5.6
91.05434	8.4
93.07062	12.6
95.08605	7.5
97.02880	17.1
105.07038	10.6
107.08604	8.5
109.02870	12.0
111.04437	20.2
115.03931	8.6
119.08533	7.0
121.06511	13.5
121.10146	5.9
127.03902	17.7
129.05453	13.4
131.08549	5.6
133.05006	6.8
133.06401	8.3
133.10112	9.3
135.08063	24.3
145.04944	31.1
145.10110	12.1
149.05962	6.6
149.09563	8.6
157.10089	8.4
159.08141	8.7
159.11710	6.5
163.06082	10.3
163.07547	14.0
167.07132	9.0
173.13281	18.6
175.04141	6.3
185.13239	7.4
187.11150	25.3
189.09120	6.7
191.07059	12.0
201.12753	16.9
203.14285	7.2
205.12181	13.2
213.12735	12.2
219.13875	7.8
229.12225	27.8
231.13847	6.8
247.13310	100.0
255.48001	6.5
265.14294	10.8
429.11166	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.3
51.02388	0.4
53.03945	0.6
53.35502	0.3
70.06600	0.4
70.61305	0.6
73.04761	0.8
77.03918	0.4
79.05486	3.3
85.02917	0.8
85.06567	0.3
91.05818	2.0
95.04969	0.6
97.02918	0.3
103.05475	2.6
105.07038	100.0
106.07378	3.6
122.09677	47.8
123.10020	2.0
133.95624	0.3
136.06186	0.5
139.03970	0.4
147.04457	0.6
167.05566	1.3
186.35767	0.3
250.86386	0.3
266.07224	0.4
359.02798	1.2
428.12625	1.0
428.19897	1.1
429.21057	4.7
446.86325	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.4
55.05499	2.1
57.03447	11.9
59.93414	1.8
61.02926	6.5
69.03431	27.8
69.07072	4.5
70.50610	1.8
71.01335	3.4
71.04995	1.9
71.30931	2.7
73.02929	18.7
74.03302	1.7
76.40979	1.8
81.03422	4.5
83.08624	8.0
83.67541	1.7
85.02908	100.0
86.03242	3.2
86.09748	2.1
86.93907	1.7
87.04444	2.2
91.03960	7.5
91.05463	2.6
95.04961	2.5
97.02895	30.1
99.04485	3.3
105.07001	2.3
109.02888	5.4
109.10154	2.0
115.03951	11.4
117.07021	1.7
119.08632	1.7
127.03923	26.6
131.08572	6.6
132.06601	2.5
133.04976	13.3
139.03935	4.1
145.04961	47.4
146.05325	2.3
149.06003	4.0
150.07567	2.1
163.06032	20.1
163.07426	3.4
167.05600	2.7
167.07013	4.4
175.07564	3.1
231.13751	14.9
249.14885	15.5
359.03061	2.3
428.18509	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45452	0.7
53.03951	0.8
55.01871	6.9
57.03439	12.9
59.04991	1.9
60.04522	0.6
61.02926	9.3
63.67293	0.7
69.03431	22.0
70.90874	1.7
71.01354	2.8
71.04997	1.9
72.04520	1.5
73.02919	17.2
74.97417	0.7
78.82561	0.6
81.03422	5.6
85.02905	100.0
86.03249	1.5
87.04466	3.5
91.03957	5.9
97.02893	30.4
99.04485	3.9
99.81078	0.6
103.03934	2.5
109.02884	6.6
109.03576	0.9
115.03931	10.6
127.03922	23.9
128.04291	0.9
132.06583	1.8
133.04965	16.0
134.12752	0.7
139.03990	0.9
145.04961	47.9
146.05344	0.8
150.07626	2.7
163.03983	1.1
163.06017	21.0
163.07349	1.2
163.64575	0.6
187.13441	0.7
189.12732	0.6
223.06067	0.9
241.07233	0.9
279.17966	2.0
286.04620	0.8
287.05508	0.8
310.00128	0.7
362.46048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
54.10625	2.2
55.01873	4.2
55.05490	2.5
57.03439	22.8
57.80410	2.0
61.02925	11.6
67.05508	5.6
69.03429	30.4
70.89249	4.8
71.01357	2.9
73.02921	41.4
79.05505	5.6
81.03418	6.1
81.07043	6.1
85.02905	100.0
86.15237	2.8
87.04473	30.2
91.03976	4.6
91.05440	3.8
93.07022	3.8
95.08620	6.0
97.02891	50.0
99.04443	2.9
103.03965	2.3
105.07034	7.2
107.08551	4.7
109.02876	6.7
109.06492	3.1
115.03930	27.3
119.08531	3.9
121.10191	3.3
123.04427	2.3
127.03930	30.6
133.04979	9.8
133.10150	3.9
137.05965	3.5
143.08566	2.9
145.04965	45.9
145.10054	3.1
151.07481	11.5
155.08731	2.3
159.06537	2.3
160.65022	2.3
161.09589	3.4
163.06006	26.9
163.11223	4.4
173.13319	2.3
191.10709	4.8
231.13904	3.8
287.05637	3.8
288.05963	3.5
397.09140	3.3
428.23611	3.2
429.11523	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.01881	6.0
55.99531	1.0
57.03438	15.8
57.07084	1.3
57.50067	1.0
58.38772	1.3
59.05009	1.7
60.92260	1.1
61.02927	12.4
69.03425	33.1
70.58343	3.1
71.01359	3.4
71.05021	2.5
73.02917	60.3
77.31283	1.1
78.78651	1.0
81.03421	5.3
85.02905	100.0
87.04479	5.8
91.03976	4.0
97.02895	57.0
98.03226	1.6
99.04460	4.0
103.03944	2.6
109.02885	9.2
110.16404	1.2
115.03928	24.8
127.03921	27.2
133.04967	34.4
145.04955	39.5
150.07628	2.8
151.03949	2.5
157.04897	1.3
163.06013	21.1
171.44150	1.0
193.04933	1.4
217.07028	1.7
223.06042	4.1
241.07094	5.7
259.08246	5.0
269.49396	1.2
274.94485	1.1
277.09286	1.4
279.17944	1.7
295.10336	1.4
429.20740	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99910	1.6
55.01871	5.5
57.03436	14.1
61.02926	10.1
61.18545	1.4
67.05488	2.7
69.03430	28.9
71.01325	2.5
71.04973	5.0
71.28898	1.7
71.29295	2.5
73.02916	37.8
79.05479	2.8
81.03426	4.0
83.04999	5.4
84.97373	1.8
85.02902	100.0
87.04452	4.9
91.03954	6.7
91.05470	2.9
93.07052	3.9
95.08596	3.6
97.02892	38.8
99.04465	4.2
103.03937	2.6
105.07008	2.8
107.08601	3.0
109.02876	7.5
109.10186	2.3
111.04449	2.3
115.03910	17.2
115.04490	1.5
119.08600	3.1
121.06512	1.8
121.10155	2.2
123.04472	2.3
127.03900	24.6
131.08571	2.7
132.06526	2.1
133.04967	21.8
133.46693	1.7
137.05984	2.1
145.04955	52.1
145.10165	2.2
150.07515	2.1
151.07520	5.1
159.11714	2.4
161.09621	2.3
163.03850	2.1
163.06015	17.9
163.07397	3.1
187.11247	3.2
191.10526	1.7
201.12695	4.0
223.06015	3.3
229.12320	2.2
234.08658	2.2
241.07159	3.7
247.13237	8.4
259.08188	4.0
267.06375	2.2
428.23068	2.6
429.11588	6.1
429.24710	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93795	0.9
52.16967	1.2
53.03934	2.3
55.01868	3.8
57.03429	7.5
57.07072	1.2
57.58549	1.0
61.02917	3.9
67.05505	1.8
69.03425	13.0
69.94552	1.0
71.04987	1.1
71.30134	1.0
71.49828	1.0
73.02896	6.1
79.05492	1.6
79.78831	1.2
81.03425	8.9
81.07074	1.1
81.69210	0.9
83.08598	1.1
85.02905	51.3
87.04484	1.8
91.03951	2.2
91.05453	2.0
93.07035	2.1
95.08617	1.7
97.02892	17.4
97.03502	1.2
99.04415	1.9
105.07021	2.1
109.02896	4.5
109.10161	2.3
115.03951	5.4
117.07056	1.2
119.08653	1.3
119.18739	1.0
121.10206	1.2
127.03907	12.0
127.04631	1.0
131.08540	0.9
133.04979	7.6
145.04951	26.6
157.10124	1.6
163.06029	14.1
175.11229	1.8
193.12248	3.3
211.13275	4.7
231.13811	1.7
249.14824	5.7
267.15829	1.6
287.05481	1.3
428.27182	2.3
429.20963	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	32.0
56.29975	19.4
71.08624	35.0
81.07043	60.7
95.08586	31.4
98.22554	48.5
102.62431	23.2
107.08604	26.8
121.06495	100.0
128.68939	21.8
145.10149	22.4
145.76268	24.9
155.01021	43.7
165.09128	31.5
171.89311	25.3
210.53107	25.6
238.22560	26.7
250.64958	23.7
357.48483	28.1
397.64835	24.7
429.31900	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52001	2.9
60.63713	3.1
61.31099	3.3
67.05511	3.9
68.77203	3.1
69.81236	8.0
69.81630	6.8
74.88530	2.9
81.07050	5.3
83.04985	3.7
84.12509	2.7
91.05508	6.6
93.07055	3.3
95.08592	5.5
97.06570	4.9
107.08598	4.0
115.05504	3.8
116.62600	3.7
119.04952	4.2
130.01041	3.1
139.03905	7.3
141.07030	4.1
145.06480	5.3
152.06209	5.4
153.07059	4.7
165.07072	6.5
167.07195	4.1
167.08551	4.9
175.04002	9.2
177.07034	6.1
178.07860	6.2
179.08559	8.9
181.06467	7.2
189.01817	22.9
195.08102	14.0
199.07616	5.1
205.06573	9.2
207.08160	10.7
209.06044	12.7
211.07619	5.4
212.04630	3.8
213.05495	4.7
217.01323	11.5
222.06714	4.0
223.07478	22.0
225.05533	4.2
225.09172	4.0
227.03397	3.7
227.06982	17.7
231.06619	4.2
233.05997	8.9
235.07588	8.9
236.04785	7.0
237.05521	9.9
238.06285	9.0
239.03468	4.9
239.07036	11.6
243.06621	13.8
247.02501	4.2
249.05389	11.6
250.06168	6.6
251.03490	4.5
251.07013	23.1
252.04138	6.5
252.07780	3.4
253.05017	19.5
253.08580	23.6
254.09036	3.6
255.06613	4.2
261.05463	6.2
263.07019	20.9
264.07730	7.1
265.05008	12.0
265.08652	17.8
266.05896	18.4
266.08585	3.2
267.03714	3.9
267.06534	26.6
269.08157	5.0
277.04980	8.5
278.34332	3.8
279.06534	17.1
280.03864	3.3
281.04666	9.1
281.08038	82.9
282.08630	9.4
291.06528	25.6
292.07251	6.5
293.07941	20.3
294.05325	6.0
295.06061	24.7
295.09204	5.2
297.04047	7.7
297.07431	7.0
298.08203	3.8
299.08798	3.7
307.05893	4.4
308.06689	4.4
309.03922	5.3
309.07550	100.0
310.08240	12.8
311.05511	7.5
312.06439	4.7
313.10748	8.6
315.04999	14.8
319.06091	24.1
320.06412	4.3
323.05704	7.0
323.08997	18.4
324.09814	4.6
325.03363	5.3
325.10715	6.2
337.07089	84.9
337.10855	5.9
338.07321	8.6
341.10370	12.5
351.08603	18.0
352.09079	4.8
353.10632	4.6
369.09695	88.0
370.09940	6.4
371.07724	11.5
379.08151	11.9
383.11102	4.5
397.09213	13.2
411.10486	4.6
429.11938	19.5
429.28220	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04832	0.4
50.70532	0.4
54.92415	0.4
56.96567	1.4
59.43328	0.4
60.27478	0.4
69.61632	1.5
73.04758	2.2
84.96035	0.7
85.85382	0.4
91.05808	4.5
98.97604	3.5
110.97581	1.2
116.98633	1.3
128.98605	1.0
134.22455	0.3
134.99631	0.5
136.06195	4.5
139.03922	0.9
143.00241	0.6
146.99660	0.5
149.04523	0.4
160.07631	1.7
161.01262	0.8
161.02954	0.4
167.05569	1.7
177.10175	0.6
185.04613	0.4
203.03990	0.4
219.01852	1.5
237.02840	2.1
243.01794	1.6
261.02945	0.6
266.03235	0.4
267.08398	0.8
288.35562	0.4
342.99896	0.5
359.02740	2.5
369.04932	1.1
381.11597	0.5
387.06262	1.9
429.13693	100.0
430.14099	7.3
447.51715	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98006	0.4
58.90961	0.3
62.10141	0.3
63.40703	0.3
68.41899	0.4
69.29180	2.5
73.04755	0.7
78.91135	0.4
83.46591	0.7
83.47049	0.4
102.76434	0.3
114.77297	0.4
116.87830	0.4
141.11780	0.4
185.04198	0.9
267.12036	100.0
268.12381	4.2
429.17230	55.8
430.17545	4.5
443.82440	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1735
Annotation	Rosavin
Peak:m/z	Relative Intensity
54.53182	0.5
70.06554	1.0
71.90036	0.6
73.04745	1.0
73.97808	0.5
85.02878	0.8
86.09687	0.7
90.96944	0.7
91.05408	0.8
97.02870	1.0
98.97568	1.1
105.07011	1.4
111.72469	0.6
117.55207	0.5
119.08538	2.4
123.04434	0.7
137.05864	0.5
139.03842	1.2
151.03799	0.8
159.43747	0.7
163.03880	0.6
177.00720	0.7
193.15845	0.7
202.48138	0.6
249.14667	1.1
264.12659	0.7
267.12033	17.3
267.15222	1.3
309.12799	0.9
359.02896	1.2
367.17227	3.4
369.14645	0.7
387.13156	0.9
410.81033	0.6
411.15771	1.2
429.16986	100.0
430.17371	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2022
Annotation	CHEBI:67520
Peak:m/z	Relative Intensity
50.98284	1.8
53.03951	3.0
55.01869	2.3
55.05511	6.8
55.12268	1.6
60.39980	1.6
66.58598	1.5
67.05506	16.2
69.03441	2.3
69.07077	4.5
71.04988	1.6
71.31146	1.8
79.05491	16.5
81.03424	2.2
81.07053	9.3
83.04992	6.1
83.21936	1.5
85.02898	2.3
91.05413	10.1
93.07062	7.5
95.04987	9.0
95.08605	8.5
97.06532	2.7
99.04474	7.2
105.07039	22.8
107.04976	17.8
107.08605	7.0
109.06524	6.5
109.10158	43.3
111.04459	5.9
117.07046	5.0
119.08595	16.8
121.06548	3.0
121.10166	1.6
123.04464	2.3
125.05972	2.1
128.06215	8.4
129.07021	2.9
130.06535	2.7
131.08582	5.3
132.08099	2.0
133.06517	5.2
133.10147	17.8
135.08054	3.9
137.06065	2.7
137.09624	65.2
137.10698	3.4
138.09874	2.4
143.08562	20.6
145.10136	10.1
146.06047	7.5
146.07227	1.8
147.08052	16.8
147.11726	5.7
149.06050	1.9
151.07535	3.0
157.10104	2.3
159.09175	7.5
159.11755	4.9
161.09630	100.0
162.09979	5.1
163.11182	4.0
165.07716	3.8
165.09125	77.9
166.09474	4.9
167.05646	2.0
174.06776	2.0
177.09093	4.0
179.10721	7.0
187.14827	9.8
188.07051	22.2
189.09106	19.9
205.09760	13.5
207.10168	21.8
215.14314	3.3
225.11194	2.3
233.15346	19.4
249.09180	6.0
251.16508	5.1
359.03006	2.9
429.20636	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26841	0.3
69.03432	0.5
69.15502	2.9
70.06592	0.5
73.04770	2.3
79.05482	0.4
80.37582	0.3
81.07058	0.4
85.02911	1.0
91.05804	2.9
91.86403	0.4
92.66322	0.4
98.22620	0.7
99.08114	0.4
105.07041	6.1
107.05010	0.4
110.97586	0.5
122.09714	3.0
123.04449	0.4
125.19308	0.4
149.04486	0.5
167.05574	1.8
202.43909	0.4
203.05373	0.6
219.01872	0.6
224.89899	0.4
247.07347	0.4
249.14761	0.6
258.67764	0.4
267.15958	0.6
359.02777	2.3
360.02725	0.5
385.18457	0.6
429.21048	100.0
430.21323	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.212
Annotation	Dentatin A
Peak:m/z	Relative Intensity
53.03933	12.4
55.01870	7.5
55.05507	20.1
57.03441	24.8
61.02928	20.9
64.90181	3.7
65.03905	4.2
67.05497	35.3
69.03436	37.3
69.07055	9.2
71.01340	5.5
71.04986	7.6
71.30117	3.8
73.02927	14.3
79.05492	45.0
81.03420	100.0
81.07054	41.6
83.04980	15.4
83.08614	15.2
85.02907	37.5
85.06525	3.6
87.04452	4.2
91.03953	8.6
91.05464	47.7
91.05922	3.4
93.07045	31.5
95.01309	3.4
95.04971	63.0
95.08604	20.8
97.02894	33.4
97.06520	10.0
97.10165	7.3
99.04446	11.7
99.08135	3.9
103.03923	7.5
105.07029	33.2
107.04938	17.9
107.08591	20.7
109.02891	19.4
109.06503	9.0
109.10143	8.1
111.04417	10.5
111.08069	7.7
115.03870	3.7
115.05447	3.5
117.07047	8.6
119.04973	3.6
119.08566	28.1
121.02869	4.2
121.06503	10.7
121.10143	14.5
123.04442	24.2
123.08035	7.7
123.11714	6.7
125.09611	6.1
127.03924	16.3
127.07376	3.1
129.07027	14.3
131.08551	17.6
133.06471	6.8
133.10115	10.6
135.08023	4.4
135.11694	8.5
137.05984	6.1
142.07869	3.4
143.08546	6.3
145.06516	11.5
145.10097	12.4
147.04399	9.0
147.08049	6.3
147.11696	25.3
149.09619	10.5
151.07562	5.6
153.08997	5.5
155.08565	5.8
157.06598	3.2
157.10100	13.8
159.08014	3.5
159.11691	5.1
159.68968	3.1
161.09573	4.5
161.13280	7.9
163.07593	3.7
163.11186	13.1
165.12787	15.1
169.10170	4.3
171.11708	5.8
173.05907	3.8
173.09575	4.0
175.03951	3.4
175.07587	3.6
175.11176	16.6
185.09537	3.0
189.12794	5.4
191.10864	3.5
193.12251	30.5
197.05986	3.2
205.12209	3.8
207.13742	5.1
209.13377	3.2
211.13301	27.6
213.12662	4.5
215.14368	3.8
217.12248	5.9
221.15277	7.8
231.13806	13.0
233.11649	6.9
235.13297	32.9
236.13516	3.9
239.16071	3.4
240.44846	3.0
249.14876	13.0
251.12885	3.4
251.16356	3.7
259.13275	9.5
267.11887	3.3
267.15869	40.4
273.14813	11.3
277.71320	3.6
285.16986	10.1
291.15823	3.6
301.14212	14.5
309.17050	15.4
319.15463	6.3
337.16412	5.3
359.02505	5.2
375.18008	7.5
393.19022	11.2
411.19968	6.9
429.21140	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.2
55.01875	1.2
55.05515	5.9
57.07078	1.6
60.73638	0.9
67.05503	11.1
69.03425	3.1
69.07062	4.7
69.33427	3.1
69.33835	3.2
71.04992	1.0
79.05488	4.9
81.07055	10.2
83.04979	5.7
83.08629	2.6
88.07609	0.8
91.05488	7.3
91.86903	0.8
93.07039	10.7
95.04958	4.2
95.08608	15.6
95.52573	0.9
97.06538	3.7
97.10153	1.1
98.23411	1.6
104.07197	0.9
105.07019	10.0
105.14574	0.9
107.08593	11.0
109.06523	4.1
109.10159	6.0
111.04459	2.6
111.08068	4.3
115.05446	2.2
117.07013	2.8
119.08579	10.3
121.06502	4.7
121.10149	5.7
123.08065	8.0
123.11662	2.3
125.09647	3.4
128.06221	1.3
129.07004	3.8
130.07780	1.0
131.08537	5.6
133.06499	1.0
133.10175	6.1
133.11046	0.9
135.08029	6.0
135.11690	3.2
137.06018	0.9
139.07532	1.0
141.07002	4.4
142.07803	2.9
143.08536	6.5
144.09334	1.0
145.06441	0.8
145.10121	8.4
147.08067	3.0
147.11694	3.1
149.09633	3.9
153.07004	3.2
154.07747	2.4
155.08551	8.5
156.09412	1.9
157.06523	1.9
157.10118	8.0
159.08040	2.2
159.11681	6.7
160.08952	1.0
161.09619	7.1
161.13271	3.3
163.11168	5.7
165.06982	4.0
165.09126	1.8
166.07811	4.5
167.07204	2.0
167.08571	4.5
168.09348	5.8
169.10143	11.0
171.08101	3.0
171.11716	6.7
172.08733	1.3
173.09605	4.5
173.13303	3.6
174.10350	1.0
175.11192	5.7
177.12827	1.5
178.07799	2.6
179.08565	8.8
180.09299	2.2
181.06570	1.2
181.10120	16.0
182.10814	2.9
183.08095	2.9
183.11682	15.0
185.09633	2.8
185.13249	1.5
187.11237	3.4
189.12738	4.3
191.08559	1.8
192.09309	3.4
193.10129	12.0
194.10890	3.5
195.08067	1.6
195.11682	7.9
196.08871	3.8
196.12456	1.2
197.09613	6.7
197.13271	4.0
199.11206	4.3
201.12737	5.5
202.78792	1.0
203.08606	3.9
204.09352	2.7
205.10133	6.4
205.11859	1.0
206.10892	5.2
207.11656	10.1
208.12390	3.0
209.09650	1.7
209.13274	8.5
210.10471	1.5
210.13686	1.2
211.11171	63.5
211.14618	2.3
212.11554	4.0
213.12772	1.8
215.08730	1.2
215.14314	1.7
216.09196	1.4
217.10144	5.5
218.10884	6.0
219.08215	1.4
219.11697	14.0
219.13718	1.4
220.12404	5.9
221.09612	2.1
221.13234	9.5
222.10446	1.5
222.13963	1.4
223.11182	5.2
223.14803	6.5
224.11818	1.9
225.12766	4.3
227.14333	2.3
229.10136	2.3
230.10927	2.9
231.11639	7.1
232.12451	5.8
233.09593	1.5
233.13268	16.9
234.10454	1.1
234.13768	4.2
235.11154	2.1
235.14816	9.5
236.11935	1.1
236.15466	1.2
237.12727	10.9
237.16341	2.1
239.14301	5.0
241.15933	2.5
242.10936	1.4
243.11661	3.5
244.12502	3.4
245.09613	1.2
245.13254	7.5
246.10405	1.1
246.14110	5.2
247.11111	1.8
247.12263	1.1
247.14801	14.3
248.15498	2.6
249.12746	7.0
249.16339	6.4
250.13411	1.1
251.14326	7.9
251.18034	1.4
253.15887	8.0
255.11433	1.1
256.12360	1.0
257.13287	4.0
258.14047	3.8
259.11197	1.5
259.14798	7.2
260.11911	1.4
260.15482	3.1
261.12860	4.5
261.16348	9.6
262.13721	1.1
263.14316	7.0
263.17972	2.1
265.15903	5.4
267.11731	1.0
267.17542	5.5
268.12436	1.1
269.13293	1.3
270.13947	1.7
271.14764	4.7
272.15604	2.0
273.12823	2.7
273.16379	8.6
273.18912	0.9
274.13525	1.8
274.16956	2.4
275.14618	5.8
275.17654	6.0
276.15082	1.3
277.15924	6.7
277.19049	1.2
278.16425	0.9
279.17441	5.2
281.18994	2.1
282.13879	1.2
283.14731	2.0
285.12985	1.6
285.16345	2.0
287.14218	2.6
287.17932	5.7
288.15329	2.1
288.18643	2.8
289.15906	9.5
289.19501	18.6
289.22540	0.7
290.16391	2.5
290.19974	2.9
291.17401	6.3
291.20834	2.1
293.18942	2.1
297.16312	4.2
298.17365	0.9
299.14563	1.1
299.18082	2.5
300.18570	1.2
301.15878	2.9
301.19550	2.9
302.16647	1.6
303.17392	4.4
304.17941	1.3
305.19009	10.7
307.20563	3.0
308.20868	1.2
309.16171	1.4
311.14096	1.4
311.17731	1.5
313.15869	1.8
313.19406	2.3
315.17383	6.0
315.21082	3.9
316.18085	1.3
317.15540	1.0
317.18964	5.2
317.22537	1.6
319.20505	4.0
327.20926	1.3
329.18994	3.5
329.22519	1.2
330.19684	2.9
330.23242	2.1
331.20544	3.1
333.22128	14.8
334.22391	1.7
343.20752	1.2
345.22229	2.0
353.18857	1.5
355.20306	1.7
359.19989	2.1
359.23840	1.6
369.22342	4.1
373.21512	1.8
373.25565	1.2
378.19745	1.8
383.23315	2.0
383.27740	1.9
387.19058	2.0
387.23560	4.4
393.21799	6.7
393.26428	1.1
401.28372	3.7
411.22934	7.2
411.27792	10.2
412.27295	1.5
429.28284	100.0
430.28632	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16416	0.1
53.03946	0.2
55.01877	0.2
55.05493	0.3
65.03939	0.2
67.05500	0.9
69.03027	1.2
69.03431	1.0
69.07083	0.2
79.05485	0.8
81.07049	0.9
81.80762	0.2
83.04994	0.2
83.08601	0.2
91.05473	2.4
93.07037	1.0
95.04972	0.6
95.08611	0.7
98.22614	0.3
99.99253	0.1
105.07027	2.2
107.04959	0.2
107.08593	0.6
109.06514	0.3
111.08107	0.1
115.05486	0.4
116.06264	0.4
116.45921	0.1
117.07025	0.7
119.08582	0.9
121.06512	0.3
121.10136	0.2
123.08073	0.2
128.06224	1.5
129.06990	1.9
131.08574	4.0
132.08939	0.3
133.06458	0.3
133.10155	2.0
135.08080	0.4
141.06981	1.4
142.07785	1.7
143.08572	3.5
144.08916	0.1
145.06496	0.3
145.10139	1.0
146.07295	0.3
147.08008	0.5
147.11774	0.2
149.09636	0.3
151.07494	0.2
152.06239	0.2
153.07002	0.7
154.07773	0.6
155.08551	3.0
156.09346	3.4
157.10132	2.8
158.10573	0.1
159.08057	3.4
159.11687	0.5
161.09615	3.2
165.07024	1.1
166.07823	0.4
167.08562	2.1
168.09320	0.6
169.08676	0.3
169.10124	6.6
170.10628	0.5
171.08060	0.4
171.11682	6.0
172.12390	0.2
173.09621	0.9
175.11191	0.8
176.06079	0.1
177.09151	0.3
178.07848	0.4
179.08549	3.1
180.09314	1.0
181.10141	1.4
182.10927	0.4
183.08075	0.4
183.11690	0.8
184.12350	0.2
185.09608	0.8
185.13271	0.4
187.07567	1.1
187.11130	0.2
189.09099	0.5
191.08549	0.3
192.09352	0.9
193.10132	3.2
194.10884	3.3
195.11687	3.6
195.55363	0.2
196.12314	0.4
197.09596	0.3
197.13249	0.8
199.11081	0.2
201.09128	0.2
203.08784	0.2
203.10681	0.6
205.08586	1.0
205.10204	0.5
206.10878	1.5
207.11687	3.2
208.12462	2.7
209.09837	0.3
209.13242	7.6
210.10213	0.2
210.13974	2.2
211.11229	0.4
211.14839	1.0
213.12805	0.4
215.08578	0.3
216.09381	0.2
217.10167	0.5
218.10861	0.3
219.11813	1.0
220.12416	0.8
221.13255	2.1
222.13913	0.5
223.11273	1.3
223.14786	3.6
224.15401	0.6
225.12694	0.3
226.09804	0.2
229.10201	0.3
230.10910	0.4
231.11705	0.8
232.12456	0.4
233.09659	0.3
233.13197	1.0
234.14056	0.4
235.11360	0.2
235.14706	1.0
237.12766	0.2
239.10713	0.2
241.12250	0.6
243.11740	1.0
244.12428	0.7
245.09537	0.2
245.13307	0.8
246.10704	0.2
246.13977	0.6
247.11166	0.4
247.14798	0.8
249.12741	0.3
249.16313	0.2
251.14372	0.2
255.11748	0.3
256.12518	0.5
257.13269	0.9
258.13971	0.5
259.11185	0.4
259.14893	1.1
260.11868	0.2
260.15515	0.3
261.12830	0.7
261.16351	1.7
262.16925	0.2
263.14349	0.4
267.11404	0.4
268.12460	0.2
269.13229	0.7
270.14008	0.6
271.14764	1.0
272.15442	0.5
273.12921	0.3
273.16403	1.0
274.13641	0.3
274.17142	0.3
275.14371	0.5
275.17935	0.2
276.18646	0.2
280.12427	0.2
281.13223	0.4
282.14005	0.7
283.14719	0.8
284.15527	0.6
285.12735	0.2
285.16501	0.4
286.17041	0.5
287.14514	0.2
287.17844	0.6
288.15109	0.2
288.18622	0.3
289.15881	1.9
289.19064	0.2
290.16382	0.2
293.13260	0.4
294.14172	0.3
295.14819	0.6
296.15524	0.5
297.13077	0.2
297.16373	1.3
298.17087	0.5
299.14429	0.4
299.17966	0.9
300.14981	0.3
301.15823	0.6
301.19498	0.4
303.17319	0.5
304.18259	0.7
305.18872	0.5
307.14810	0.3
308.15637	0.3
309.12900	0.2
309.16422	0.6
310.13672	0.2
310.17035	0.2
311.14224	0.4
311.17941	0.7
312.15353	0.2
312.18735	0.5
313.15854	0.4
313.19437	0.8
315.17389	0.8
317.18954	0.2
319.20551	5.2
320.20987	0.5
321.16333	0.4
322.16910	0.2
323.17960	0.5
325.15897	0.5
325.19421	0.4
326.16559	0.2
327.17419	0.5
327.20914	0.2
328.18436	0.2
329.18958	0.3
335.17828	0.5
336.18658	0.3
337.15958	0.3
338.16464	0.3
338.20200	0.2
339.17404	0.6
340.14423	0.2
340.18094	0.2
341.18930	0.3
341.22589	0.4
343.16879	0.2
343.20764	0.2
345.16376	0.2
349.15839	0.4
350.16495	0.2
350.20193	0.2
351.21130	0.3
353.19098	0.5
354.19849	0.2
355.16849	0.3
360.18701	0.3
363.17386	0.7
365.22629	0.4
367.20624	0.2
368.21246	0.3
369.22241	1.1
371.20184	0.3
373.17700	0.3
375.20911	0.3
378.19662	0.7
381.18338	0.5
382.19110	0.2
383.23782	0.8
385.25439	0.8
387.23004	0.8
393.22028	1.2
396.20871	0.3
399.19522	0.8
411.23190	3.8
412.23309	0.4
413.20932	0.3
414.21875	0.5
427.22617	0.2
429.24222	100.0
430.24564	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.7
52.55814	0.5
53.03938	1.1
55.01859	1.5
55.05518	3.5
67.05506	5.8
69.03442	2.8
69.07056	1.3
70.15531	0.6
71.04995	0.7
71.31033	0.8
79.05499	3.3
81.07059	3.6
83.04979	9.3
85.06484	0.5
90.80606	0.4
91.05479	5.9
93.07043	8.6
95.04956	2.3
95.08057	0.6
95.08611	8.3
97.02922	0.8
97.06503	0.9
99.04453	0.6
103.05482	0.7
105.07033	5.9
107.08601	3.9
109.06518	2.2
109.10141	1.5
111.04460	4.9
111.08083	4.1
115.05446	1.7
117.07024	3.0
119.08578	5.5
121.06509	2.6
121.10100	3.3
123.08064	1.7
123.11696	0.9
125.05929	0.6
125.09657	0.6
128.06207	4.6
129.07018	5.5
130.07764	0.8
131.08580	4.2
133.10129	2.4
135.08061	1.6
135.11713	0.9
137.05984	1.0
139.07509	1.5
141.06979	5.7
141.09058	0.6
142.07788	4.8
143.08565	8.0
144.09315	0.8
145.10112	4.6
147.08029	2.0
147.11662	2.2
149.09592	1.2
152.06203	1.0
153.06964	3.4
154.07773	3.9
155.05986	0.5
155.08545	9.0
156.09315	2.3
157.06477	1.3
157.10123	7.1
158.07242	1.2
159.08054	1.5
159.11707	3.6
161.09592	3.3
161.13235	0.6
163.03885	1.5
163.11198	1.1
165.06975	3.1
166.07721	1.6
167.08562	4.4
168.09349	7.3
169.06564	1.4
169.10132	6.6
170.10768	1.0
171.08047	15.5
171.09473	0.9
171.11670	4.5
172.08705	1.5
173.05994	0.9
173.09592	3.3
173.13327	1.1
175.11177	2.5
178.07791	3.4
178.75861	0.5
179.08575	6.8
180.09386	2.7
181.06529	3.1
181.10069	3.4
182.07286	1.0
182.10873	1.5
183.08073	1.3
183.11693	11.5
184.12094	1.1
185.09598	3.7
185.13255	0.7
186.10199	0.7
187.11237	3.3
190.07716	0.6
191.08554	1.0
191.10847	0.6
192.09311	2.4
193.10121	8.3
194.10826	2.3
195.08052	2.7
195.11679	5.7
196.08887	4.9
196.12422	0.6
197.09608	17.0
197.13266	2.4
198.10027	1.2
199.11237	3.1
201.09126	0.8
201.12750	2.2
203.08566	0.9
203.10501	0.6
204.09296	1.2
205.10121	2.2
205.12097	1.1
206.10890	1.7
207.08133	0.7
207.11703	4.8
208.08867	1.8
208.12477	1.0
209.09665	4.6
209.13229	4.2
210.10278	1.3
211.11177	100.0
212.11534	5.0
213.12776	2.0
215.08630	1.3
215.14328	0.7
216.09366	1.8
217.10139	2.5
218.10893	1.6
219.08020	1.9
219.11719	4.8
219.13704	1.1
220.08719	1.0
220.12311	1.1
221.09612	1.7
221.13275	4.7
222.10391	4.0
222.13870	0.8
223.11131	6.0
223.14729	1.2
224.11940	1.5
225.12726	3.8
228.09183	0.8
229.10149	2.1
230.10870	1.9
231.11696	3.7
232.08913	0.8
232.12387	2.5
233.09633	2.1
233.13260	2.7
234.10451	3.9
234.13945	0.9
235.11244	4.8
235.14815	1.8
236.11900	1.2
237.12737	17.0
238.13159	1.0
239.10809	0.7
239.11891	0.8
239.14272	7.8
241.10115	1.4
242.10899	1.4
243.11732	3.9
244.08786	0.7
244.12399	1.7
245.09576	2.2
245.13277	4.6
246.10426	2.2
246.14053	3.1
247.11197	3.3
247.14786	3.7
248.11890	1.7
248.15485	0.6
249.12744	9.9
249.16415	0.9
250.13072	0.9
251.14328	2.2
253.09947	0.7
253.12173	1.6
255.11691	1.8
256.12421	2.1
257.13226	5.3
257.15552	0.7
258.10400	0.8
258.13962	2.9
259.11243	5.6
259.14853	4.1
260.11783	2.8
260.15515	1.7
261.12756	7.5
261.16275	4.2
262.13477	2.5
262.17017	0.9
263.14291	3.7
263.17834	0.7
265.12369	0.6
267.11639	2.2
267.14066	0.7
268.12463	0.9
269.13239	1.6
270.13943	1.2
271.11697	0.7
271.14819	4.4
272.12091	1.0
272.15512	3.5
273.12741	6.7
273.16357	6.3
274.13495	6.5
274.16949	1.4
275.14313	8.6
275.17923	1.9
276.15012	2.8
277.13071	0.8
277.15900	3.9
277.18713	0.8
279.14093	0.6
281.13208	1.8
282.13956	2.5
283.14731	2.0
284.15549	1.4
285.12823	1.9
285.16434	1.7
286.13562	2.2
286.16733	1.1
287.14310	4.7
287.17923	2.6
288.15100	5.6
288.18356	1.0
289.15857	13.8
289.18994	0.8
290.16559	5.0
291.14130	0.8
291.17407	4.3
295.14749	1.7
296.15570	1.0
297.13040	0.5
297.16321	6.7
298.13467	1.1
298.17017	1.2
299.14343	1.7
299.17932	2.1
300.15082	4.1
301.15817	6.8
301.19446	1.8
302.16513	1.7
302.19949	0.8
303.17505	2.9
303.20547	0.6
304.18216	0.6
307.14624	0.6
308.15546	0.9
309.16345	1.2
310.17130	0.8
311.14352	1.0
311.17923	1.6
312.15207	0.9
312.18777	1.9
313.15762	2.7
313.19476	1.9
314.16690	1.4
315.17395	13.5
316.18112	2.1
317.15305	0.8
317.18945	6.6
318.19568	0.5
319.20486	2.5
321.16290	0.8
322.16959	0.8
324.15173	0.7
325.15958	0.8
326.16400	0.8
327.17346	1.6
327.20810	0.6
329.18994	4.4
330.19693	8.3
331.16708	0.8
331.20251	1.3
333.18393	1.7
335.17847	1.5
337.19550	0.9
339.17316	0.9
340.18140	0.9
341.15234	0.7
341.18991	1.4
341.22623	0.6
345.15851	0.6
350.20383	1.0
351.17160	0.7
353.19040	1.2
354.19699	0.9
355.20627	1.6
363.17444	1.7
365.22604	2.2
369.18060	1.0
369.22372	2.6
373.17563	0.7
378.20056	1.5
381.18524	0.9
383.23645	4.4
387.19061	3.2
387.23300	1.5
393.22046	8.7
394.22504	0.6
401.24704	1.6
411.23160	21.2
412.23523	2.0
414.21927	0.7
429.19354	4.0
429.24246	66.0
430.24591	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	0.4
53.03926	0.8
55.01862	1.1
55.05510	3.3
57.03391	0.6
67.05499	4.3
69.03428	3.4
69.07057	0.6
69.38266	3.3
71.12019	0.4
72.93578	0.5
79.05467	2.0
81.07036	1.7
83.04979	9.0
83.08619	0.8
91.05491	4.6
93.07057	6.2
95.04940	2.1
95.08601	8.0
97.06544	0.8
105.07034	5.0
105.98671	0.6
105.99377	0.5
107.08582	4.0
109.06487	1.3
109.10128	1.2
111.04453	4.8
111.08119	2.8
113.05996	0.9
115.05465	1.3
117.07001	1.2
119.08578	4.2
121.06495	2.2
121.10143	2.7
123.08065	1.2
125.05927	0.5
128.06204	4.0
129.07005	4.9
130.07849	0.6
131.08588	3.2
133.10133	2.9
135.08049	1.4
135.11688	1.0
135.68475	0.5
137.09566	0.6
139.07523	1.6
141.06985	6.7
141.09224	0.5
142.07793	4.3
143.08566	8.6
144.09349	1.0
145.10106	3.5
147.08014	1.2
147.11668	1.4
149.02283	1.2
149.09590	0.8
153.06953	4.0
154.07773	4.3
155.08557	8.6
156.09229	1.9
157.10130	7.1
158.07227	0.7
159.08031	1.6
159.11696	4.6
161.09639	3.3
161.13194	0.5
165.07021	2.5
166.07753	1.6
167.08574	3.5
168.09337	7.5
169.06458	1.4
169.10141	5.2
170.10892	0.6
171.08038	15.1
171.09435	0.9
171.11662	3.3
172.08710	1.0
173.09592	2.4
173.13168	1.1
175.11186	1.0
178.07811	2.7
179.08549	6.6
180.09232	1.7
181.06441	2.4
181.10089	3.8
182.07268	1.1
182.10710	0.9
183.08070	1.5
183.11696	11.2
185.09656	3.9
185.13260	0.9
187.11148	3.2
187.14833	0.6
191.08559	1.1
192.09322	2.0
193.10124	10.0
194.10806	1.8
195.08009	2.1
195.09940	0.7
195.11665	4.8
196.08817	3.8
196.12242	0.7
197.09619	17.4
197.13158	2.4
198.10118	0.8
199.11142	2.4
201.09143	0.7
201.12747	2.9
202.07790	0.6
203.08499	1.0
204.09198	1.3
205.10152	1.8
205.12180	0.9
206.10880	1.4
207.08089	0.8
207.11679	4.6
208.08844	1.4
208.12405	1.2
209.09637	3.9
209.13234	2.5
210.10301	1.1
211.11174	100.0
212.11522	5.8
213.12692	0.9
215.08530	0.6
216.09438	0.8
217.10112	1.5
218.10893	1.6
219.08116	1.1
219.11682	3.2
219.13571	0.7
220.08826	0.5
220.12444	0.7
221.09616	2.0
221.13223	5.1
222.10403	2.6
223.11189	5.5
223.14705	0.6
224.11874	1.6
225.12672	3.0
226.13176	0.6
227.10696	0.6
229.10043	2.2
230.10918	2.1
231.11728	4.4
232.08891	0.7
232.12378	1.9
233.09587	1.6
233.13191	2.7
234.10287	3.2
234.13907	0.6
235.11183	4.0
235.14796	0.8
236.11699	0.7
237.12714	14.4
237.15022	0.8
238.13138	0.9
239.08453	0.6
239.14323	7.1
241.09967	1.1
242.10942	1.1
243.11658	2.8
244.12358	1.9
245.09560	1.6
245.13187	4.6
246.10403	1.5
246.14075	2.1
247.11160	3.0
247.14735	3.2
248.11882	2.0
249.12761	7.8
249.16360	0.8
250.13118	0.7
251.14290	1.5
253.12274	1.1
254.10742	1.0
255.11664	1.9
256.12390	1.8
257.13123	4.5
257.15424	1.0
258.10312	1.2
258.13916	2.9
259.11160	4.5
259.14862	3.4
260.11890	3.0
260.15524	1.3
261.12766	7.5
261.16232	3.6
262.13382	2.3
263.14279	2.4
263.18060	0.6
267.11621	2.0
268.12225	1.1
269.13284	1.9
270.13937	1.3
271.11481	0.9
271.14777	3.3
272.11920	1.4
272.15509	2.8
273.12701	5.4
273.16318	6.3
274.13437	5.2
274.16754	1.2
275.14267	8.3
275.17844	1.6
276.14883	2.3
277.15848	4.5
281.13129	1.1
282.13956	1.9
283.11456	0.5
283.14709	2.0
284.12091	0.6
284.15442	1.6
285.12708	2.7
285.16422	2.1
286.13449	2.4
286.16998	1.0
287.14264	6.1
287.17889	4.4
288.15115	6.0
288.18372	0.9
289.15860	13.5
289.19223	1.1
290.16592	4.2
291.14151	0.8
291.17352	4.2
295.14679	1.1
296.15530	1.1
297.16296	6.2
298.13568	0.8
298.16946	1.9
299.14331	1.5
299.17923	3.0
300.15057	4.2
300.18195	0.8
301.15829	5.6
301.19470	1.3
302.16595	1.5
303.14227	0.6
303.17319	2.7
304.18161	0.8
308.15549	0.7
309.16086	1.2
311.14194	1.2
311.17911	2.3
312.15323	0.8
312.18600	2.3
313.15793	1.5
313.19400	1.6
314.16467	1.0
315.17407	13.4
316.18195	2.3
317.15308	0.9
317.18979	6.7
319.20450	2.5
320.20685	0.5
322.17148	0.8
323.17767	1.1
325.15805	1.0
326.16626	1.0
327.17310	1.2
327.20917	0.8
329.19028	5.6
330.19754	8.2
331.20370	1.7
333.18402	1.6
335.17834	1.2
336.18561	0.8
337.19278	1.2
339.17343	0.7
340.18127	0.7
341.18915	1.3
345.16183	0.8
348.15237	0.7
351.21240	1.1
353.18927	0.9
354.19659	0.6
355.20477	1.6
358.66898	0.5
363.17401	1.9
365.22632	1.4
368.21298	0.7
369.18311	1.3
369.22192	1.7
375.21320	0.5
378.19751	1.8
381.18405	0.6
383.23532	3.4
384.23886	0.5
387.19049	2.4
387.23669	0.9
393.22073	9.8
394.22351	1.1
396.20886	0.9
401.24738	1.0
411.23169	21.1
412.23358	2.1
414.21667	1.3
429.24228	50.7
430.24524	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.279
Annotation	4,4'-Diapolycopenedial
Peak:m/z	Relative Intensity
53.03949	1.4
55.01876	1.3
55.05511	11.1
57.03437	0.9
57.07067	1.4
61.31213	0.5
64.04449	0.5
65.03931	0.9
67.05506	8.2
69.03430	2.7
69.07069	5.3
69.29491	1.5
69.29912	2.0
73.79483	0.4
77.03951	0.7
77.66451	0.5
79.05486	5.3
79.05841	0.5
81.07060	5.6
83.04978	13.8
83.05451	0.8
83.08604	2.4
85.06561	0.6
91.05470	9.1
92.05811	0.5
93.07043	10.7
95.04977	2.9
95.08605	13.7
96.08989	0.5
97.06535	3.5
98.22686	1.2
100.61672	0.5
100.78530	0.6
101.16348	0.5
103.05477	0.5
105.07031	11.8
107.04974	0.6
107.08599	8.7
109.06522	3.7
109.10146	4.7
111.04446	3.6
111.08069	3.4
113.06045	1.2
115.05492	2.0
116.06243	0.7
117.07015	4.2
119.08574	12.8
121.06509	6.3
121.10162	5.4
123.08075	5.3
123.11677	1.3
125.09612	1.2
128.06219	2.6
129.07001	3.6
130.07841	1.2
131.04906	1.2
131.08577	6.7
132.98247	0.5
133.10129	6.0
135.08054	8.4
135.11726	2.1
137.09645	1.5
137.13264	0.7
139.07564	0.7
139.11192	0.6
141.07007	3.7
142.07780	2.6
143.08566	7.1
144.09340	1.3
145.06485	2.8
145.10123	8.4
146.07259	0.8
147.08034	5.1
147.11670	6.0
149.09625	4.1
149.13280	1.0
151.11195	1.0
153.06995	1.6
154.07803	1.1
155.08545	6.2
156.09355	2.7
157.06522	0.9
157.10130	8.4
158.07365	0.8
158.10847	0.8
159.08058	5.6
159.11662	6.0
159.12793	0.6
160.08815	1.4
161.09627	8.7
161.13295	1.8
163.11194	8.1
165.07053	1.7
165.09052	0.7
166.07828	1.7
167.08621	3.0
168.09331	2.4
169.10127	8.9
170.10851	1.7
171.08076	3.0
171.11681	5.8
172.08852	1.4
173.09668	3.3
173.13242	3.7
175.11206	7.1
177.12813	1.3
178.02744	0.7
178.07874	1.2
179.08574	4.2
180.09366	2.0
181.10115	7.8
182.10905	1.8
183.08086	1.9
183.11674	10.1
184.12384	0.7
185.09659	4.2
185.13208	3.8
186.10410	0.8
187.11185	8.7
187.14842	0.7
188.11670	0.6
189.11197	0.8
189.12741	5.5
190.13248	0.5
191.08565	0.7
191.14247	1.1
192.09390	2.1
193.10143	6.8
194.10892	2.3
195.08121	1.1
195.11702	7.7
195.13345	0.8
196.08905	0.8
196.12520	1.3
197.09572	4.4
197.13255	4.5
199.11169	7.0
199.14833	2.6
201.12744	11.8
203.08627	1.9
203.14436	1.0
204.09361	1.8
205.10130	4.0
206.10852	3.5
207.11653	7.7
208.08910	0.7
208.12350	2.9
209.09721	3.8
209.13237	6.4
210.10397	1.0
210.13815	1.2
211.11195	4.2
211.14764	4.0
212.11964	0.8
212.15248	0.7
213.12767	3.8
215.08696	0.8
215.14331	6.9
216.09312	1.2
217.10181	3.9
218.10876	3.6
219.11685	8.2
219.13670	0.7
220.12410	3.2
221.09662	1.6
221.13240	9.5
221.15251	0.6
222.10365	0.9
222.13904	1.6
223.11169	3.7
223.14774	4.4
224.11914	0.6
225.12755	3.4
225.16388	1.5
227.14290	4.9
228.15024	0.7
229.10179	1.3
229.15863	7.3
230.10968	1.7
231.11671	6.5
232.12462	5.8
233.13248	9.7
234.13985	3.2
235.11195	2.3
235.14767	7.1
236.11981	2.2
236.15570	1.2
237.12744	5.8
237.16331	3.8
238.13351	0.7
238.17043	0.7
239.14284	4.3
240.14720	0.7
241.15887	4.8
243.11702	2.4
243.17548	0.7
244.12450	2.8
245.13243	6.5
245.15349	0.7
246.14000	3.7
247.11223	1.4
247.14804	9.6
247.17061	0.8
248.11839	0.9
248.15596	2.3
249.12782	3.3
249.16351	5.7
250.13446	0.8
251.14381	3.9
251.17969	1.7
253.15848	5.2
253.19870	0.6
255.11798	0.8
255.17433	5.7
256.12424	1.0
257.13223	4.0
258.14087	2.6
259.11670	0.7
259.14780	7.1
260.15619	2.8
261.12881	1.5
261.16434	6.9
262.13498	1.0
262.17194	1.8
263.14331	1.8
263.17999	9.6
264.15186	0.7
264.18423	0.7
265.15799	5.0
265.18936	0.8
267.17361	4.2
269.13190	1.1
269.19006	1.2
270.14072	1.0
271.14630	2.9
272.15491	2.6
273.16312	6.0
274.14075	0.8
274.16956	3.4
275.14383	1.7
275.17999	8.5
276.18683	1.5
277.15909	2.8
277.19363	1.3
279.17435	24.9
280.17883	2.1
281.08194	0.6
281.18994	7.7
282.19412	0.8
283.14700	0.7
284.15619	1.1
285.16464	2.2
286.17133	1.4
287.14667	0.9
287.17908	5.4
288.15479	0.9
288.18588	3.5
289.16010	2.5
289.19434	13.4
290.16849	1.0
290.20105	2.6
291.17484	3.5
291.21103	2.8
293.16068	0.6
293.18909	3.0
295.17203	0.6
295.20703	1.4
297.16388	1.4
298.17267	0.9
299.17938	1.7
300.15323	0.8
300.18832	1.7
301.16129	1.1
301.19583	2.5
302.16934	0.7
302.20248	1.4
303.14093	0.7
303.17502	2.1
303.20999	14.6
304.21637	1.7
305.15833	0.8
305.19083	4.9
305.22415	0.8
306.19418	0.8
307.20517	3.7
308.20731	0.6
311.17920	1.0
312.18982	0.7
313.15897	1.1
313.19379	1.4
314.20087	0.6
315.17517	1.4
315.20990	8.1
316.21609	1.2
317.15598	1.0
317.18997	2.2
317.22720	2.5
318.19623	0.7
319.20688	2.2
319.24194	1.0
321.18555	0.8
321.22003	1.1
325.19614	0.7
327.17545	1.1
327.21194	1.6
329.19009	1.2
329.22644	1.9
330.23389	7.2
331.17093	1.0
331.20612	3.6
331.24084	1.1
333.18448	0.8
333.22086	13.6
334.22562	1.5
335.23700	0.7
341.19067	0.9
341.22751	0.6
343.20746	1.1
345.13324	0.6
345.18527	1.3
345.22321	1.6
347.23752	1.8
355.20532	1.6
355.24435	1.1
359.20062	2.2
359.23871	0.9
369.22083	1.9
371.23972	1.0
373.21136	2.5
373.25735	1.1
383.27444	1.6
385.25262	0.9
387.22971	4.7
393.26212	0.7
400.23868	0.6
401.23892	0.9
401.28671	3.8
402.28665	0.7
411.26828	10.5
411.32123	0.8
412.27216	1.4
414.25598	2.1
429.27975	100.0
430.28275	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13630	0.3
53.03946	0.9
55.01862	0.8
55.05510	4.0
57.07073	1.1
59.07158	0.3
63.08330	0.3
64.21776	0.3
65.03945	0.7
67.05507	6.6
69.03429	1.3
69.07072	4.0
71.04996	0.6
74.73498	0.3
79.05495	4.3
81.07053	6.6
83.04974	2.7
83.08620	1.4
91.05475	5.2
93.07043	7.3
94.07404	0.5
95.04972	2.4
95.08607	12.5
96.94187	0.3
97.06525	2.7
97.10216	0.7
97.10777	0.4
98.22705	1.5
98.23392	0.6
105.04573	0.5
105.06299	0.4
105.07024	8.9
107.04947	0.5
107.08601	7.0
108.08991	0.4
109.06525	3.3
109.10162	3.8
111.04462	1.0
111.08088	2.3
113.05975	0.4
115.05444	0.8
117.07028	2.8
119.08578	7.5
120.08929	0.5
121.06542	2.1
121.10128	3.7
123.08069	4.7
123.11720	1.3
125.09637	2.2
128.06213	1.2
129.07005	2.8
130.07826	0.5
131.08557	4.5
133.06590	0.4
133.10135	4.9
135.08051	4.2
135.11664	2.0
137.05965	0.6
137.09637	0.7
139.07555	0.7
141.06953	2.2
141.09113	0.5
142.07790	1.6
143.08565	4.5
144.09308	0.9
145.06467	0.7
145.10114	7.4
147.08008	2.0
147.11699	2.5
149.09592	1.7
149.13301	0.6
151.07578	0.4
151.11203	0.6
152.06233	0.5
153.07013	1.3
154.07799	0.5
155.08545	4.7
156.09328	1.5
157.10115	4.4
159.08080	1.3
159.11690	5.1
160.08859	0.4
161.09608	4.6
161.13275	2.1
163.11241	2.3
165.06987	3.2
165.09119	0.6
165.96704	0.4
166.07755	2.2
167.07086	1.2
167.08578	3.2
168.09386	1.8
169.10121	6.8
170.10797	0.7
171.08060	0.8
171.11652	3.3
173.09650	1.3
173.13214	1.9
174.10391	0.5
175.11168	3.4
177.12752	1.8
178.07816	1.7
179.08553	5.1
180.09335	1.8
181.10115	11.6
182.10814	1.3
183.08104	0.7
183.11688	7.7
184.12234	0.4
185.09662	2.2
185.13277	1.9
187.11130	2.5
189.06947	0.4
189.12776	3.2
191.08585	2.5
191.10242	0.4
191.14294	0.4
192.09319	2.9
193.10129	7.2
194.10858	2.8
195.08058	0.8
195.11678	5.6
196.12486	0.8
197.09648	1.5
197.13252	2.9
199.11188	2.8
199.14793	0.9
201.12704	2.6
202.07794	1.0
203.08530	3.0
203.14339	0.5
204.09302	2.7
205.10167	5.2
205.12114	0.6
206.10887	4.1
207.11696	7.5
208.12379	2.2
209.09808	1.7
209.13261	5.4
210.10454	1.0
210.13722	0.7
211.11203	2.3
211.14799	1.7
213.12784	1.5
215.08559	0.9
215.14368	1.1
216.09433	1.4
217.10121	4.9
218.10884	4.7
219.11668	9.9
220.12427	4.6
221.09706	1.2
221.13246	8.1
221.15324	0.6
222.13951	1.4
223.11224	2.3
223.14789	6.0
224.11926	0.6
224.15463	0.6
225.12732	2.2
225.16420	0.9
227.14375	1.2
228.09164	0.4
228.84410	0.4
229.10162	1.4
230.10825	1.7
231.11652	6.3
232.12482	4.8
233.09758	0.6
233.13242	15.3
234.13835	3.1
235.11157	1.3
235.14810	8.8
235.17152	0.6
236.11931	0.9
236.15414	1.1
237.12773	2.5
237.16295	2.1
239.14217	2.7
241.15839	2.1
243.11717	2.2
244.12364	1.6
245.13225	6.9
246.10417	0.4
246.14014	4.9
247.11060	1.0
247.14809	12.3
248.15503	1.7
249.12743	2.6
249.16422	4.5
250.13420	0.5
250.16928	0.5
251.14317	5.6
251.18010	1.0
253.15869	5.3
255.11760	0.7
255.17545	1.0
256.12485	0.6
257.13214	2.3
258.14087	1.8
259.11197	0.4
259.12061	0.5
259.14816	4.4
260.12329	0.4
260.12799	0.4
260.15564	2.8
261.12827	1.3
261.16406	7.1
262.13544	0.8
262.16919	0.9
263.14368	3.4
263.17874	2.4
264.15009	0.6
265.15854	5.2
267.17450	4.2
269.13263	1.0
269.19107	0.6
270.14008	1.0
271.12070	0.3
271.14743	2.2
272.15610	1.6
273.12903	0.8
273.16412	4.6
274.14444	0.3
274.17096	2.8
275.14349	1.4
275.17950	4.9
277.15878	3.1
277.19415	1.2
279.17355	3.5
281.19040	1.0
283.14700	0.5
285.12958	0.4
285.16333	1.7
286.17102	0.9
287.14432	1.2
287.17950	3.6
288.15518	0.5
288.18521	1.7
289.15994	2.0
289.19452	16.4
290.16663	1.1
290.20032	2.1
291.17429	3.8
291.21097	1.8
293.18848	1.2
297.16306	0.8
299.14597	0.5
299.17923	1.4
300.18732	0.9
301.16306	0.6
301.19559	2.2
302.16925	0.5
302.20251	0.5
303.17465	3.1
303.21069	0.8
304.18091	0.7
305.18967	7.9
305.22397	0.8
306.19415	0.6
307.17111	0.6
307.20444	3.8
311.17902	0.7
313.15933	0.5
313.19452	1.3
314.16406	0.4
314.20065	0.5
315.17612	0.7
315.21112	3.2
316.21545	0.5
317.15530	0.5
317.18973	1.9
317.22729	1.0
318.19446	0.5
319.20554	2.4
321.18750	0.8
321.22061	0.7
325.19547	0.5
327.17438	0.8
327.21188	0.7
329.18988	0.9
329.22659	1.3
330.23343	3.4
331.20590	2.9
331.24039	0.5
333.18701	0.4
333.22092	12.5
333.26151	0.6
334.22534	1.1
341.19037	0.8
341.22382	0.9
343.20575	1.2
345.18622	0.7
345.22064	1.6
347.20062	0.5
347.23810	0.7
353.22662	0.4
355.20416	1.0
355.24246	0.8
357.22067	0.5
359.19980	1.2
359.23862	0.8
369.21960	1.7
371.23654	2.2
373.21542	1.5
373.25510	0.6
383.27213	2.2
385.25391	0.8
386.22437	0.7
387.23065	3.9
387.26935	0.3
393.25833	0.7
401.28568	4.1
402.29236	0.5
411.21393	0.7
411.26816	10.6
412.27148	1.1
414.25620	0.5
429.27887	100.0
430.28220	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2791
Annotation	4,4'-Diapolycopenedial
Peak:m/z	Relative Intensity
51.02325	0.4
53.03930	0.4
55.01865	0.9
55.05509	4.2
55.12240	0.3
57.03428	0.4
57.07048	0.5
57.12392	0.3
65.03933	0.7
67.05506	7.4
68.37997	0.3
69.03432	1.8
69.07071	4.1
69.35329	1.9
71.04974	0.6
79.05490	4.9
81.07050	7.3
83.04974	2.6
83.08633	1.5
85.72872	0.3
91.05463	6.4
93.07047	8.3
95.04955	3.0
95.08605	14.2
96.06436	0.3
97.06522	3.0
97.10150	0.5
98.23261	0.5
103.05468	0.5
105.07030	9.6
106.11410	0.3
107.08584	8.8
109.06522	3.1
109.10152	4.4
111.04453	0.7
111.08090	2.5
113.06027	0.6
115.05432	0.8
117.06991	2.9
119.08579	7.9
121.06494	2.8
121.10130	4.7
123.08074	5.7
123.11714	1.4
125.09657	2.6
128.06195	1.2
129.06969	2.2
130.07773	0.6
131.08557	4.3
133.06506	0.6
133.10126	6.1
135.08046	4.9
135.11694	2.6
137.09605	1.1
137.13191	0.4
139.07498	0.9
141.06993	2.2
141.09160	0.5
142.07776	1.7
143.08556	4.4
144.09291	0.7
145.06471	1.1
145.10115	7.2
146.07269	0.5
147.08044	2.7
147.11674	3.5
149.09602	2.5
149.13245	1.0
151.11172	1.1
153.06984	1.4
154.07755	1.1
155.08556	4.9
155.73053	0.4
156.09366	1.8
157.06525	1.0
157.10121	5.6
159.08092	1.9
159.11682	4.7
160.08841	1.4
161.09607	5.8
161.13234	2.2
163.11162	3.3
165.06975	3.4
165.09036	0.4
165.12807	0.8
166.07735	3.0
167.08548	3.9
168.09320	1.5
169.10115	7.8
170.10796	0.6
171.08000	0.9
171.11664	3.6
172.08801	0.6
173.09592	2.0
173.13243	2.4
175.11201	4.0
177.12741	1.2
178.07774	1.5
179.08568	5.5
180.09274	2.0
181.10106	14.1
182.10800	2.6
183.08185	0.8
183.11668	7.6
183.13127	0.7
184.12209	0.7
185.08125	0.4
185.09521	1.9
185.13246	1.4
187.11220	1.8
187.14920	0.4
189.12737	4.6
190.13037	0.6
191.08501	2.5
191.14288	0.5
192.09258	3.1
193.10138	7.7
194.10873	3.0
195.08029	0.8
195.11684	6.8
195.13359	0.7
196.12378	1.4
197.09607	1.9
197.13237	3.1
199.11179	3.5
199.14828	1.0
201.12727	2.8
202.07874	0.8
203.08588	2.8
203.14297	0.6
204.09320	3.0
205.10132	6.4
205.12048	0.3
206.10835	4.2
207.08273	0.4
207.11699	10.2
207.13644	0.7
208.08853	0.5
208.12433	2.2
209.09651	1.8
209.13264	6.7
210.10361	1.3
210.13924	0.7
211.11148	3.2
211.14795	1.2
213.12811	1.8
213.16359	0.5
215.08591	0.8
215.14328	0.9
216.09346	1.7
217.10103	5.4
218.10887	6.1
219.11674	9.9
219.13593	0.4
220.12418	4.9
221.09688	1.1
221.13223	9.4
222.10275	0.6
222.13893	1.5
223.11322	2.0
223.14801	6.2
224.11925	0.8
224.15393	1.1
225.12755	2.4
225.16310	0.9
227.14323	1.3
229.10063	1.8
230.10817	1.8
231.11681	5.9
232.12434	4.4
233.09615	0.8
233.13226	17.2
234.13889	3.1
235.11150	1.4
235.14778	9.8
236.11913	0.9
236.15378	1.7
237.12730	2.1
237.16339	2.1
238.13510	0.4
239.14323	3.7
241.10127	0.5
241.15872	3.2
242.10913	0.6
242.16272	0.5
243.11674	2.4
244.12419	2.5
245.13263	7.9
246.10695	0.4
246.11235	0.5
246.13974	4.3
247.11148	1.0
247.14781	11.3
248.15417	2.3
249.12701	2.6
249.16365	5.4
250.13377	0.9
250.16737	0.7
251.14297	8.0
251.18092	0.9
252.14809	0.6
253.15872	7.3
255.11795	1.1
255.17421	0.9
256.12418	0.8
257.13272	2.6
258.14005	2.1
259.14780	5.9
260.11893	0.6
260.15598	3.1
261.12747	1.6
261.16394	8.5
262.13477	1.3
262.17017	1.0
263.14258	5.0
263.17908	2.1
264.14996	0.6
265.15851	5.9
266.16068	0.4
267.17441	4.3
269.13257	0.7
269.19058	0.9
270.13831	0.7
271.14813	2.0
272.15460	1.8
273.13037	1.0
273.16306	5.9
274.13968	0.5
274.17007	2.3
275.14355	2.1
275.17929	5.2
276.15082	0.4
276.18640	0.9
277.15860	4.8
277.19113	0.7
278.16302	0.5
279.17419	4.6
280.17798	0.5
281.19052	1.1
283.14780	1.0
284.15598	0.5
285.16251	2.4
286.17026	1.5
287.14648	0.6
287.17786	4.0
288.15717	0.5
288.18640	2.4
289.15967	2.1
289.19446	17.6
290.16611	1.0
290.20071	2.1
291.17438	4.4
291.21039	1.9
293.18771	2.1
297.16312	0.8
298.13681	0.5
298.17084	0.6
299.14383	0.7
299.17929	1.5
301.15826	1.1
301.19525	2.2
302.16818	0.6
302.20245	0.7
303.17432	2.9
303.20807	0.7
304.17969	0.9
305.15427	0.4
305.18939	8.9
305.22287	0.4
306.19470	1.4
307.17194	0.8
307.20566	4.9
308.21051	0.5
311.17905	0.6
313.16095	0.8
313.19507	1.4
315.17471	0.8
315.20844	4.8
317.19000	2.0
317.22675	1.2
319.17084	0.6
319.20590	2.9
320.20813	0.7
321.18478	0.7
321.22049	0.7
325.19409	0.7
327.17545	0.7
327.21149	0.9
329.18845	1.4
329.22665	1.3
330.23376	3.0
331.16925	0.9
331.20590	4.0
331.24094	0.7
333.22086	13.9
334.22400	1.6
341.19003	1.1
343.20599	1.1
345.18442	1.4
345.22186	1.1
347.19958	0.8
347.23822	0.6
355.20334	1.0
355.24298	1.1
357.22104	0.8
359.19901	1.6
359.23676	0.9
369.21985	2.5
371.23755	1.1
373.21674	1.5
383.27377	1.9
384.15292	0.8
386.22290	0.6
387.22925	4.0
387.27319	0.7
393.25650	0.9
401.28693	4.0
411.26819	11.6
412.27158	1.5
429.27853	100.0
430.28198	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
55.05506	17.9
56.52916	4.2
65.03945	3.9
67.05503	46.9
68.14851	3.5
68.84384	3.3
69.03397	3.7
69.07062	11.2
71.04993	5.4
71.31504	4.9
79.05497	36.9
81.07052	62.3
83.04971	11.5
83.08611	6.5
91.05461	39.3
93.07045	78.5
95.04974	8.9
95.08608	100.0
96.08895	3.6
97.06537	6.2
97.10134	4.4
105.07019	67.4
107.08591	75.6
108.08872	3.9
109.06532	15.9
109.09395	4.9
109.10139	37.8
110.10506	5.6
111.04432	6.7
111.08084	14.1
117.07015	15.1
119.08585	74.3
121.06489	12.9
121.10146	51.8
122.09315	3.5
123.08038	16.1
123.11646	15.3
125.05988	4.9
125.09622	4.5
128.06250	3.3
129.06978	4.5
130.07747	5.0
131.08553	25.1
133.10126	57.4
135.08081	12.1
135.11710	32.4
137.09604	12.1
137.13235	3.8
139.07571	6.5
141.09134	8.2
143.08563	8.0
144.09364	3.6
145.10127	56.1
147.08049	6.2
147.11693	34.8
149.09619	11.9
149.13287	20.5
151.11165	11.3
153.09154	5.2
155.08562	6.4
155.10652	4.8
157.10124	19.6
159.07997	5.2
159.11699	43.3
160.12045	4.5
161.09650	15.2
161.13287	23.4
163.11247	8.6
163.14851	6.2
165.09064	3.8
167.08694	3.4
167.10500	3.4
169.10141	8.8
171.11679	14.5
173.05869	4.9
173.09641	10.2
173.13272	27.8
175.11198	13.6
175.14812	12.7
177.12796	7.4
179.10625	4.1
183.11662	11.2
185.13255	9.1
187.11180	9.5
187.14801	22.8
189.12746	9.7
189.16464	4.1
191.14365	5.1
193.12279	9.8
197.13290	11.3
201.12766	10.1
201.16403	8.0
203.14334	9.0
205.12196	3.4
207.13805	12.0
211.14882	7.0
213.12759	9.6
215.14340	14.3
215.18031	4.1
219.13829	9.0
221.15384	13.5
225.12727	3.8
225.16225	3.8
229.15858	7.9
233.15363	16.7
235.16978	4.2
243.17191	3.5
247.16937	9.4
253.19492	4.9
261.18579	9.8
271.20557	6.5
275.17337	4.5
275.20190	5.9
289.21616	11.7
297.21793	4.2
355.26282	9.5
365.28384	5.4
366.28683	3.8
375.26752	9.0
383.29761	16.8
393.27850	46.1
394.28262	7.1
411.29047	45.7
412.29263	6.2
429.18835	10.6
429.29492	25.6
429.35690	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.05524	10.9
57.03405	1.8
60.69234	1.3
65.03945	1.5
67.05505	22.5
69.03451	3.9
69.07067	5.7
79.05499	16.4
81.07063	23.6
81.85847	1.4
83.04977	9.7
83.08617	2.2
84.16474	1.4
91.05474	19.6
93.07046	39.3
94.59186	1.6
95.04979	6.3
95.08610	55.8
97.06538	4.8
98.22521	2.6
99.04481	2.2
105.07041	30.8
107.08586	37.3
109.06537	4.8
109.10161	19.5
111.04436	3.4
111.08083	6.1
112.08458	1.5
113.06017	3.5
115.05446	1.7
117.07014	5.1
117.65099	1.4
119.08590	29.9
119.55673	1.8
120.08983	1.8
121.06506	6.3
121.10159	29.2
123.08077	6.6
123.11720	11.3
128.06212	4.1
129.06995	7.4
131.08556	11.6
133.06491	3.2
133.10139	28.4
135.08076	4.7
135.11702	20.4
137.09602	2.4
137.13268	2.0
139.07574	4.4
141.06992	5.2
141.09152	2.9
141.79288	1.5
142.07735	4.9
143.08580	13.8
145.10153	13.0
147.08087	2.9
147.11685	25.0
149.09637	2.2
149.13258	6.8
151.07542	1.7
151.11191	2.5
153.06990	3.9
153.09172	1.9
153.40434	1.6
154.07741	3.5
155.08559	10.1
156.09296	2.4
157.10161	10.2
159.08058	4.2
159.11690	16.2
161.09622	9.0
161.13231	19.2
163.11197	5.3
165.07025	2.4
165.09267	1.7
166.07822	2.9
167.08551	3.1
167.10684	2.7
168.09360	6.1
169.10129	6.9
171.08022	16.4
171.11719	7.3
172.08716	1.8
173.09673	2.4
173.13313	9.1
175.11211	5.5
175.14883	3.6
177.12737	4.8
179.08572	6.1
179.10707	3.1
180.09334	2.3
181.06512	2.9
181.10199	4.1
181.12279	5.6
182.07246	2.9
183.08113	2.0
183.11717	13.3
184.12012	1.6
185.09619	3.5
185.13235	3.4
187.11221	4.3
187.14857	3.6
189.12749	6.3
189.16418	5.3
192.09273	2.2
193.05064	1.8
193.10114	7.7
193.12222	4.8
194.11057	2.0
195.11685	5.4
195.13828	6.4
196.08907	4.0
197.09660	18.4
197.13258	4.5
199.11143	4.2
201.12727	3.5
201.16438	3.7
203.14520	1.7
204.38588	1.6
205.10147	2.3
207.11751	5.9
207.13855	4.9
209.09602	5.8
209.13184	3.8
209.15242	1.5
211.11189	100.0
211.14551	3.7
212.11546	4.6
215.08502	2.2
215.14241	3.0
217.10110	1.7
217.15916	3.3
218.10954	2.0
219.11845	3.2
221.09555	1.7
221.13257	5.5
221.15208	2.9
222.10345	2.8
223.11150	5.3
223.14809	2.4
225.12683	4.1
229.10016	2.1
229.15956	2.6
231.11789	4.2
232.12473	2.6
233.09514	2.7
233.13243	3.5
233.15366	3.7
234.10408	3.6
235.11201	4.0
235.14931	2.5
235.16850	8.6
237.12790	12.5
238.13051	1.6
239.14384	7.0
244.12442	1.9
245.09544	1.6
245.13174	2.9
246.10446	2.2
246.13878	2.4
247.11061	2.0
247.14767	2.6
247.16995	10.0
249.12721	10.1
249.16405	2.0
253.12389	2.0
256.12473	2.3
257.13226	3.8
258.13983	2.8
259.11194	3.5
259.14807	2.8
260.15634	2.3
261.12671	4.9
261.16238	3.4
261.18579	3.8
262.13510	1.6
263.14297	3.2
267.11624	2.7
268.12402	1.8
271.14865	4.1
272.15619	2.3
273.12726	5.0
273.16370	5.1
274.13571	6.6
274.16736	1.8
275.14365	7.5
275.17429	2.1
276.15244	2.8
277.15887	4.7
282.14145	3.5
283.14633	2.4
285.12888	2.0
285.16238	2.9
287.14392	4.0
287.17810	2.8
288.15036	5.1
289.15878	16.3
290.16586	4.3
291.17374	3.1
297.16324	5.1
297.22098	2.2
299.14450	2.0
299.17859	2.6
300.15231	3.2
301.15961	5.4
301.18994	1.8
301.21927	2.0
302.16495	3.0
303.17395	3.4
311.17532	1.9
312.18967	3.0
315.17474	13.3
316.17896	1.9
317.18994	6.5
329.18927	4.6
330.19595	7.6
336.18552	2.1
365.28342	2.4
369.18582	2.7
375.20889	1.9
375.26984	2.8
383.23819	5.0
383.29553	4.5
387.19217	3.3
393.22150	10.5
393.27975	9.3
401.24979	2.1
411.23199	21.0
411.28900	5.5
412.23596	2.5
429.24274	56.7
429.29779	4.9
430.24838	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
55.05512	15.3
57.07076	2.6
67.05175	2.5
67.05506	31.5
69.07076	7.6
69.56836	5.7
69.57241	2.2
71.05006	3.4
78.37780	1.4
79.05497	25.9
81.07059	46.5
83.04982	4.3
83.08607	2.2
85.06535	4.3
91.05481	26.4
92.54095	1.8
93.07047	62.1
94.07346	2.3
95.04953	6.4
95.08608	100.0
96.08971	1.5
97.06536	8.1
97.10148	2.3
99.04430	5.3
101.06016	1.9
103.05532	2.1
105.07035	43.7
107.08594	67.9
109.06499	5.6
109.10156	37.2
109.10905	1.9
111.08082	7.0
111.45338	1.6
113.05968	5.0
114.87148	1.5
117.07028	7.5
119.08584	44.9
119.22941	1.6
121.06489	6.4
121.10142	50.8
121.11016	2.7
123.08061	12.0
123.11716	19.6
125.09647	3.3
129.07034	2.2
130.07756	1.7
131.08572	14.8
133.06522	2.0
133.10126	59.7
135.08057	5.9
135.11697	58.3
136.11978	1.9
137.09615	3.5
139.07544	7.0
139.11142	2.1
141.09077	5.1
143.08549	6.8
144.09285	2.1
145.06491	2.0
145.10135	21.6
147.08058	3.4
147.11681	38.0
148.12051	2.9
149.09666	5.5
149.13281	12.4
151.11159	4.5
153.09146	3.1
155.08565	3.1
157.10092	9.0
159.08023	2.0
159.11694	28.3
160.08846	1.5
161.09624	6.9
161.13251	43.6
161.76834	1.4
163.11206	7.0
163.14816	2.9
167.10687	3.4
169.10164	2.6
171.11693	7.0
173.09679	3.4
173.13281	17.4
175.11153	9.0
175.14853	7.6
177.12756	15.8
179.10718	4.6
181.10564	2.6
181.12177	13.0
183.11687	3.2
185.13303	2.9
187.11209	3.5
187.14761	10.2
189.12738	5.4
189.16418	8.5
191.14384	1.9
193.12206	10.4
195.11887	2.1
195.13814	26.3
197.13274	3.1
199.11252	1.6
199.14813	3.2
201.12703	2.9
201.16364	4.1
203.14293	3.3
207.13831	16.1
209.13326	3.4
211.11172	4.5
211.14851	2.6
213.12708	1.6
213.16417	2.9
215.14262	5.8
217.15886	6.1
219.13716	2.0
221.15398	7.3
227.18060	1.9
229.15889	5.6
230.24168	1.5
233.15367	6.4
235.16939	20.4
241.15884	1.6
243.17442	2.1
247.14616	2.4
247.16917	19.2
248.17551	1.8
249.18655	1.9
261.18500	7.8
267.17279	1.7
269.18985	2.4
275.20078	2.2
287.20087	3.1
289.21536	3.4
297.22379	1.9
301.21622	4.6
313.21774	1.9
315.23077	2.4
355.26266	3.6
365.28323	3.1
375.26736	6.2
383.29346	7.9
386.12054	1.8
393.27966	14.6
394.28180	2.2
411.28824	7.4
429.23810	2.5
429.29816	8.5
430.29904	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.6
55.01854	4.0
55.05519	18.8
57.03427	9.7
57.07062	6.6
65.03928	3.7
67.05177	4.0
67.05505	46.3
69.03425	5.1
69.07065	14.1
69.08309	2.7
71.04989	2.5
79.05489	27.3
81.03408	7.9
81.06582	3.7
81.07060	61.6
83.04961	6.1
83.08627	4.2
85.06522	4.6
91.05478	33.8
93.06465	4.5
93.07042	77.0
95.04980	12.3
95.08609	100.0
96.08900	3.5
97.06527	8.8
97.10178	5.0
99.04460	4.1
101.05996	5.4
105.03378	6.0
105.07034	47.7
107.04957	3.0
107.07864	4.5
107.08588	86.1
108.08972	2.9
109.06522	4.7
109.10155	43.2
111.04426	3.2
111.08064	10.9
113.05989	5.1
115.05409	4.2
117.05459	7.7
117.07029	7.6
119.08581	64.1
121.06498	7.9
121.10135	66.9
123.08072	14.6
123.11716	29.3
125.09645	3.9
129.06992	5.3
131.08554	16.2
133.10129	63.8
135.08041	10.9
135.11690	91.4
136.11998	2.5
137.06047	2.6
137.09624	6.4
137.13293	5.3
139.07552	6.3
139.11096	2.4
143.08517	6.0
144.09351	3.4
145.10124	28.5
147.04471	2.6
147.07990	4.9
147.11687	51.3
149.09633	9.5
149.13283	17.8
151.11156	5.3
153.09113	8.5
157.10146	8.8
159.04314	3.4
159.08029	3.0
159.11684	33.5
161.02324	3.0
161.09596	11.0
161.13249	60.4
162.13580	4.8
163.03935	6.2
163.11151	14.6
165.09081	11.4
167.10687	6.5
169.10092	6.0
171.11642	8.8
173.02362	2.5
173.09581	6.2
173.13251	18.6
175.11203	9.7
175.14839	8.0
177.08989	3.4
177.12732	24.5
177.16484	2.9
179.10687	8.3
181.06587	2.6
181.10211	2.4
181.10785	3.0
181.12218	22.9
183.11650	6.1
185.09703	3.0
185.13306	3.2
187.03941	4.7
187.11160	5.5
187.14793	10.0
189.12749	7.1
189.16417	12.0
189.72902	2.6
191.10724	3.4
191.27132	2.5
193.12231	8.2
195.12056	4.5
195.13811	40.7
197.13300	3.4
199.14821	5.9
201.05649	2.9
201.16374	10.1
203.14272	3.1
207.13759	10.2
209.13329	2.5
209.15263	3.0
211.11263	3.5
213.16280	2.9
215.14343	6.5
217.15842	8.9
217.19472	2.7
221.13307	3.5
221.15353	8.5
223.14832	2.6
225.12827	3.8
227.14188	3.5
229.15924	7.1
233.15366	10.2
235.16945	25.9
245.13283	3.6
247.16879	18.4
251.14375	2.5
280.61740	2.6
281.08072	5.9
287.20221	2.7
289.21585	3.6
311.12994	3.1
337.07114	4.7
355.25922	3.6
365.28412	3.1
375.27039	3.5
383.29407	6.5
393.27966	15.7
411.23395	5.0
411.28845	9.6
429.18933	23.9
429.24115	20.3
429.29730	11.0
429.37408	3.0
430.19238	4.3
448.95895	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29903	3.1
54.32188	3.6
55.05508	20.8
57.07075	15.7
67.05509	9.1
69.07069	58.4
71.08629	9.6
71.31638	4.3
72.04448	3.3
73.40511	3.2
79.05496	5.2
81.07057	19.3
83.04967	3.0
83.08617	25.6
85.10173	5.0
91.05469	4.3
93.07032	15.3
95.08606	22.0
97.10155	12.2
98.03510	3.1
101.85873	2.9
105.07047	7.8
107.08592	6.7
109.06502	7.3
109.10158	12.5
111.04441	3.3
111.11684	4.0
114.19242	3.0
119.08575	6.2
121.10126	6.9
123.08092	3.7
123.11719	6.9
125.13248	4.3
131.08595	3.7
131.57774	2.9
133.10124	4.9
135.11662	3.0
137.06004	12.1
139.07599	5.9
139.39546	3.5
145.10213	4.0
147.07986	3.5
147.11746	2.9
149.09659	4.8
151.07559	17.1
157.10139	4.7
159.11678	5.3
161.96953	3.2
163.11234	9.5
165.05528	8.5
165.09108	38.2
166.09543	4.6
167.07039	100.0
168.07384	3.3
173.09647	3.6
175.07597	5.3
177.09120	8.7
189.09245	4.1
191.07021	2.9
191.10641	5.3
193.08607	7.2
201.12683	4.0
203.10689	6.7
205.08582	6.4
205.12335	4.7
207.10188	8.7
221.11778	4.7
223.11269	2.8
370.17175	3.3
390.46118	3.3
429.16681	21.7
429.28702	6.7
429.37671	7.4
430.17709	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3728
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
52.51931	3.0
55.05506	15.9
55.81860	3.3
57.07081	30.5
58.42243	4.1
67.05501	19.9
68.23174	3.3
69.07068	33.3
71.08631	22.4
79.05495	17.1
80.91367	3.4
81.07047	38.9
83.08615	14.4
85.10181	12.9
91.05473	15.1
93.07055	24.3
95.08617	42.8
97.06523	11.8
97.10165	10.9
105.07025	25.5
107.08588	27.7
109.06519	12.1
109.10160	28.2
111.11702	7.3
119.08568	20.7
121.10162	16.5
123.11717	11.7
129.07021	7.7
131.08557	14.8
133.10132	19.1
135.08112	4.2
135.11668	13.4
137.09607	12.0
139.07547	3.9
143.08534	6.6
145.10130	14.1
147.11690	12.4
149.09624	18.5
149.13260	7.3
151.14816	4.3
157.10101	11.7
159.11674	23.7
161.13290	13.4
163.11179	28.0
165.09120	100.0
166.09415	4.4
171.11656	6.5
173.13237	6.9
175.11157	12.4
177.09123	10.4
177.12714	5.1
183.11690	6.0
185.13251	6.5
187.14775	6.1
191.10655	13.6
197.13293	5.0
199.14752	5.8
205.12236	13.9
219.13985	5.1
225.16170	3.7
247.16876	4.1
253.19373	3.9
365.67639	4.1
381.35196	4.9
393.35019	14.8
411.36249	33.6
429.37375	55.1
430.37231	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3728
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.03951	0.9
55.05509	12.0
57.07075	19.7
67.05504	7.5
67.06883	0.8
69.07071	20.5
69.11716	6.9
69.71959	0.8
71.08631	14.6
79.05503	3.5
81.07057	14.8
83.04981	1.1
83.08620	9.6
85.10183	5.8
91.05465	5.8
93.07055	8.6
95.08615	14.4
97.10174	5.7
105.07034	5.1
107.08593	7.4
109.06550	1.6
109.10153	9.7
109.12778	0.8
111.04464	2.1
111.08112	0.8
111.11732	3.8
117.07043	1.8
118.33982	1.0
119.08549	4.7
121.06529	2.0
121.10148	5.5
123.08096	2.0
123.11717	3.2
125.06046	1.0
126.44199	0.8
131.08575	3.7
133.06458	0.9
133.10179	2.6
135.08061	6.1
135.11734	2.4
137.05957	5.4
137.09624	11.6
137.13252	2.0
138.06786	1.0
139.07571	4.5
141.05484	1.1
142.07805	1.3
145.10167	3.8
147.08098	1.9
147.11725	1.5
149.06015	2.5
149.09641	14.3
149.13214	1.2
151.07536	9.1
151.11066	1.0
155.08652	1.1
159.08086	1.7
159.11737	3.0
161.06029	1.7
161.09561	1.2
162.06786	1.5
163.07513	1.0
163.11185	18.9
163.12473	1.3
165.05493	5.0
165.09114	100.0
166.06259	1.9
166.09496	1.8
167.07042	49.3
168.07393	2.0
173.09717	2.7
173.13278	2.4
175.07611	3.0
175.11166	6.7
176.08304	2.0
177.09116	14.4
177.12758	2.6
179.07074	2.2
179.10721	2.0
181.08612	2.0
185.09703	1.3
186.10548	1.2
187.11256	2.7
187.14897	1.2
189.09143	2.3
189.12793	2.0
190.09851	2.0
191.07050	1.4
191.10690	11.5
193.08704	2.7
193.12346	1.6
200.11986	1.0
201.12791	2.3
203.10727	3.2
203.14381	1.1
205.08647	1.8
205.12228	10.3
205.13904	1.2
207.10175	4.4
207.13907	0.9
215.14481	1.5
219.13731	4.6
229.15840	1.0
233.15448	2.3
247.17082	1.3
261.18674	1.2
275.20117	1.2
289.21735	2.4
303.23386	1.8
303.77850	0.8
315.62125	0.8
317.24783	1.2
331.26602	1.2
373.31107	1.4
401.34253	2.6
411.36481	1.9
429.37411	30.5
430.37802	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35124	0.5
55.05519	4.7
55.61038	0.6
57.07079	19.6
67.05508	5.6
69.03419	0.9
69.04277	0.6
69.07076	5.3
70.83615	1.4
71.08634	13.3
77.71930	0.6
79.05487	2.3
80.14678	0.6
81.06628	1.0
81.07063	8.9
81.51174	0.7
83.04958	1.3
83.08608	2.0
85.10183	6.7
91.05488	3.3
93.07041	3.5
94.81606	0.7
95.08616	8.2
97.10165	2.3
99.93296	0.6
103.44722	0.7
105.07018	3.4
107.08607	7.5
109.10159	7.6
111.04429	1.2
111.11739	0.9
111.48874	0.7
119.08599	3.7
121.06532	1.5
121.10153	5.8
122.07277	1.7
123.08090	1.3
123.11720	1.6
125.05954	0.9
129.05144	0.6
129.06943	0.6
131.08554	3.5
133.10130	2.0
135.08081	5.4
135.11684	1.8
137.09615	11.9
139.07541	2.4
144.09210	0.6
145.10115	3.6
147.08104	0.9
147.11693	0.9
149.09619	17.7
151.07518	1.9
151.14828	1.2
155.08604	0.7
156.25006	0.6
159.08029	1.1
159.11710	2.7
160.08833	1.6
161.05945	0.7
161.09624	1.5
162.06740	1.9
163.07545	1.0
163.11186	20.9
163.12482	1.4
164.11539	0.8
165.09120	100.0
166.09406	3.6
173.09642	3.2
173.13228	2.3
174.10393	1.0
175.07533	1.0
175.11179	5.7
176.08305	2.8
177.09120	12.0
177.12740	2.5
179.10706	1.7
186.10370	2.0
187.11180	3.2
187.14839	1.0
189.09109	1.0
189.12704	1.5
190.09875	1.8
191.10674	11.1
200.11952	1.2
201.12790	2.9
203.10699	2.4
203.14404	0.8
204.11414	1.0
205.12262	9.9
215.14325	1.6
219.13861	5.4
233.15393	2.3
247.17128	0.9
275.20078	1.5
289.21729	1.0
303.23248	1.6
317.24646	1.1
331.26321	1.2
345.27847	0.8
359.29379	1.0
373.30957	1.3
401.34152	2.2
411.36249	1.8
428.16281	0.9
429.17105	6.3
429.37280	28.6
430.17358	3.6
430.37494	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3728
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.03931	0.9
55.05515	3.5
57.06799	1.0
57.07077	18.6
67.05504	4.3
69.07066	4.1
69.18354	3.9
69.18767	1.4
71.08636	13.0
79.05481	2.6
81.07056	6.5
83.08595	3.9
85.10184	5.6
89.97408	0.6
91.05484	4.2
93.07056	3.1
93.57826	0.7
95.08607	7.5
97.10159	2.5
98.22987	3.0
105.07013	2.3
107.04953	0.9
107.08602	5.9
109.10158	5.6
111.04429	1.2
111.11723	0.8
117.07031	1.0
119.08597	5.3
121.10143	4.4
122.07281	2.3
123.08102	1.5
123.11704	1.7
125.05991	0.8
129.07074	1.1
131.08566	2.7
133.10120	2.3
135.08041	4.9
135.11711	2.2
137.05975	0.8
137.09615	10.1
139.07549	1.8
143.08543	0.7
144.09375	1.0
145.10127	1.9
147.11601	1.1
149.09622	16.0
149.13232	0.7
151.07542	1.6
157.10094	1.2
159.08029	1.2
159.11708	2.0
160.08871	1.3
161.09648	1.2
162.06784	1.6
163.07536	0.7
163.09785	1.3
163.11176	22.7
164.11540	0.6
165.09117	100.0
166.09396	3.5
173.09666	1.7
173.13242	2.2
175.07564	1.4
175.11150	5.9
176.08310	2.2
177.09102	12.0
177.12759	1.6
179.10625	1.7
186.10437	0.8
187.11166	3.8
189.12726	2.3
190.09914	1.7
191.10661	10.1
191.14282	0.6
201.12766	3.1
203.10730	1.9
203.14325	1.0
204.11371	1.4
205.12202	10.4
215.14360	1.8
219.13847	6.0
233.15385	2.2
247.16895	1.3
261.18472	0.9
275.20096	1.4
289.18506	0.6
289.21658	1.9
303.23154	1.6
317.24670	1.2
331.26382	1.0
338.97873	0.7
373.31042	1.9
401.34103	2.7
411.36493	1.8
429.37283	36.1
430.37741	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.373
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
52.59127	0.7
53.03954	0.8
55.05511	4.9
57.07079	17.0
59.34774	0.8
67.05508	6.5
69.07070	7.3
71.08631	9.9
75.23486	0.7
79.05502	2.1
81.07055	7.8
82.05101	0.7
82.72120	0.8
83.04961	1.6
83.08613	4.3
85.10185	6.2
91.05486	2.6
93.07047	4.8
95.08599	7.9
97.10176	3.5
98.23179	4.9
105.07026	2.6
107.08611	6.7
107.09248	0.9
109.06525	1.1
109.10172	6.7
111.04453	1.1
111.11718	1.2
119.08568	5.2
121.06487	3.8
121.10165	3.4
122.07290	1.4
123.08072	1.7
123.11731	3.3
131.08578	1.9
133.10143	1.9
135.08058	4.6
135.11732	2.1
136.08862	3.6
137.05975	1.0
137.09610	10.4
137.13255	1.3
139.07573	3.1
145.10135	1.7
147.11684	1.6
149.06027	1.1
149.09624	12.3
149.38239	0.7
151.07573	2.3
157.10228	1.1
159.08064	0.9
159.11731	2.7
160.08846	1.9
162.06764	1.3
163.07527	0.9
163.11183	18.0
164.08290	6.1
165.09114	100.0
166.09439	2.2
167.07057	8.0
173.09642	1.4
173.13290	1.4
175.07497	0.8
175.11157	5.2
176.08353	1.2
177.09119	11.0
177.12769	2.2
179.10640	1.1
187.11169	1.7
189.09140	1.0
189.12709	1.9
190.09917	0.8
191.10677	8.3
193.08733	0.8
201.12784	3.0
203.10661	1.7
205.12238	9.4
206.73363	0.8
215.14378	1.9
219.13811	4.4
233.15451	3.0
247.17055	1.6
254.60641	0.7
261.18289	0.9
275.19977	1.2
289.21548	1.3
303.23166	1.5
331.26459	0.9
359.29498	0.8
401.34293	2.2
411.36539	1.5
429.28552	1.2
429.37302	29.6
430.38062	14.9
431.25903	1.0
454.78772	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3726
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
52.16599	1.0
53.03952	2.1
55.01876	1.3
55.05513	9.4
57.06797	1.2
57.07079	20.0
57.46016	0.9
58.85251	1.0
67.05516	12.0
69.03401	1.0
69.07070	13.9
71.04987	2.8
71.08634	15.6
79.05498	9.4
81.07059	21.4
83.04980	2.9
83.08630	8.1
85.06550	1.0
85.10181	5.7
89.76316	0.9
91.05479	8.3
93.07043	18.5
95.04951	1.5
95.08613	19.5
96.08957	0.9
97.06539	1.3
97.10178	3.5
98.22602	1.7
99.08128	1.9
105.07032	16.0
107.08591	20.3
107.09276	1.5
109.06516	2.6
109.10161	19.2
111.08133	1.2
111.11753	1.5
117.07040	2.8
119.08582	17.6
120.08961	1.0
121.06500	3.3
121.10155	19.9
122.07281	1.0
123.08077	2.8
123.11725	3.8
127.11206	5.3
129.06985	1.2
131.08557	7.4
133.10149	16.4
133.11067	2.0
135.08081	10.0
135.11699	19.3
137.06032	2.5
137.09616	12.2
137.13277	1.4
139.07550	3.4
143.08511	2.4
144.09254	1.0
145.10127	11.0
147.11671	17.0
149.09618	19.5
149.13266	7.3
151.07536	3.9
151.11191	2.8
151.14842	1.0
153.09154	1.8
157.10155	3.4
159.08083	1.5
159.11684	12.8
161.09604	2.5
161.13229	8.4
162.06708	1.0
163.11197	21.5
163.14862	1.8
165.09122	100.0
166.09477	3.6
167.07065	13.1
167.10692	1.2
168.07387	1.3
169.07527	1.1
171.11691	3.7
173.09688	3.0
173.13240	7.2
175.07538	1.2
175.11166	8.7
175.14857	2.0
176.08295	1.5
177.09131	15.9
177.12712	6.7
179.10712	2.1
181.12212	1.2
181.66946	1.0
183.11725	1.6
183.13849	0.9
186.10429	1.2
187.11241	4.5
187.14793	3.9
189.09131	1.2
189.12769	4.3
189.16432	4.2
190.09940	1.6
191.10669	10.4
191.14357	2.3
193.12251	1.5
197.13216	1.0
201.12759	3.9
201.16426	4.1
203.10623	2.2
203.14302	1.5
203.18005	3.9
204.11389	1.1
205.12236	10.2
207.13809	1.9
209.15395	1.7
211.14883	1.2
215.14360	2.4
215.17986	4.0
217.19473	1.0
219.13805	5.9
221.15405	3.5
229.15945	1.3
229.19484	1.5
233.15439	3.1
233.18935	2.0
247.16969	1.9
261.18604	2.3
275.19989	2.3
289.21606	1.5
303.23233	2.3
317.24506	1.0
331.26389	2.9
343.26236	2.9
345.27765	1.0
379.30020	1.5
397.31039	2.0
401.33981	2.3
411.32346	7.5
429.37610	23.8
430.37473	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61333	0.5
53.03932	1.7
55.01860	1.7
55.05508	2.5
57.03424	2.4
61.02911	2.3
62.64565	0.5
67.05510	2.8
68.44276	0.5
69.03429	6.0
69.07066	6.4
69.53255	0.5
71.04967	0.8
71.28689	0.6
71.29131	1.0
73.02917	6.6
79.05483	3.3
81.03411	2.7
81.07051	5.2
83.04983	2.0
84.76775	0.6
85.02904	21.6
85.06514	0.6
87.04453	1.1
91.03950	1.2
91.05475	6.6
93.07043	2.5
95.04943	1.4
95.08601	3.1
97.02893	6.5
97.06529	8.7
97.10052	0.5
99.04448	1.4
105.07019	1.8
107.04952	0.9
107.08588	2.0
109.02853	2.4
109.06503	1.1
109.10138	2.5
110.10508	0.5
111.04445	1.0
111.08072	0.6
113.62052	0.6
115.03869	0.8
115.05448	0.7
117.06991	1.5
119.04935	3.2
119.08559	1.8
121.02869	1.9
121.06479	1.4
121.10129	1.6
123.04456	3.4
123.08090	1.3
123.11739	0.9
125.05972	0.6
127.03902	3.7
129.07016	0.9
131.08533	2.0
133.10133	1.2
135.04391	1.1
135.08060	0.9
135.11633	0.9
137.02330	0.8
137.05969	23.4
138.06299	1.5
141.06949	0.8
143.08575	0.9
145.04950	3.6
145.06506	1.2
145.10130	1.5
147.04402	1.1
147.08037	0.9
147.11659	0.6
149.05884	0.8
151.07541	8.2
152.07883	2.8
153.01817	2.9
153.05495	0.7
154.06210	0.9
157.10107	0.9
158.07310	0.7
159.08104	1.1
159.11678	2.3
160.05156	1.6
161.06029	1.4
161.09627	0.8
163.03868	1.2
163.07507	0.7
163.11172	0.6
165.01802	0.9
165.05469	4.9
165.09065	1.7
167.07191	0.6
167.08618	0.5
169.10121	0.9
171.11668	1.0
173.06003	2.6
173.09642	0.8
175.11285	0.7
177.09045	1.6
180.08670	1.1
181.04918	0.9
183.02867	0.6
185.13364	0.7
186.06737	1.1
187.07545	1.1
187.11180	1.3
187.14781	0.7
189.09050	0.7
191.07037	23.9
191.10646	3.7
192.07420	1.1
192.11002	2.1
197.09683	0.6
199.11166	0.7
204.07773	1.0
205.08496	0.9
205.12250	1.3
213.05482	0.8
215.10652	6.9
227.07376	0.5
228.53406	0.5
233.11719	100.0
234.12027	5.9
251.12732	4.6
258.05121	0.8
275.12857	0.8
287.05484	56.9
341.13818	0.6
359.14777	0.8
360.03043	0.7
430.16843	0.6
430.21054	1.7
431.26492	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	8.0
57.03441	16.1
57.07074	15.7
59.04992	2.1
61.02918	9.3
63.04494	20.3
69.03428	17.0
69.07087	2.3
70.06600	2.3
71.01340	3.5
73.02920	27.1
74.22208	2.0
75.05843	2.1
79.17934	1.9
81.03434	4.1
85.02906	44.5
86.09708	3.1
87.04485	4.4
95.04984	3.4
97.02886	32.7
103.03949	3.7
105.07026	3.5
107.08617	3.3
115.03954	12.0
119.08596	2.8
119.10693	100.0
120.11030	3.5
121.10176	2.7
127.03915	10.8
133.04951	17.5
145.04945	13.5
145.10103	4.7
163.06042	7.1
189.09157	2.0
206.88345	2.3
215.14371	5.3
233.15392	6.9
246.12965	1.9
250.15198	5.8
251.16582	2.4
337.16379	16.5
339.10019	2.3
360.02582	2.1
430.21951	33.7
431.17435	4.0
431.22906	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43486	2.1
53.03941	2.4
53.50202	2.0
55.01888	5.2
55.05844	2.0
57.03432	3.7
60.02494	2.3
61.02920	8.6
64.99374	2.0
69.03429	16.3
70.06596	5.9
71.29356	2.6
72.08146	2.5
73.02921	3.9
73.04742	2.8
81.03415	5.3
85.02909	100.0
86.09710	10.1
87.04471	3.4
91.03956	4.8
91.05831	3.6
95.04958	2.2
96.03954	2.1
96.04495	13.9
97.02897	22.8
99.04449	4.0
101.07140	2.5
102.43336	2.0
109.02880	7.5
109.10818	2.1
114.05534	31.3
123.04426	4.1
127.03906	28.1
136.68680	2.1
142.45259	2.5
145.04950	51.6
148.37610	2.5
163.06039	24.7
170.06828	2.0
177.05482	13.8
179.17125	2.4
221.12907	2.3
235.59331	2.2
269.13586	11.5
271.13260	3.1
275.16122	2.3
295.13297	2.6
301.14316	3.0
360.02774	3.9
367.17560	4.5
377.15848	9.7
378.35693	2.5
395.17203	3.6
396.21609	2.8
430.14832	2.6
430.20703	8.2
431.18326	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16121	2.8
54.32334	3.3
65.18997	3.0
65.74351	3.2
67.05486	7.0
68.99802	2.5
69.03425	4.1
69.07048	4.9
69.16646	22.0
71.04995	4.4
73.02936	13.9
77.02597	3.2
79.05470	7.6
80.56904	2.7
81.03423	4.4
81.07060	17.0
85.02922	6.0
85.83441	2.7
91.05463	10.1
93.07045	13.5
95.08604	19.9
97.06491	4.1
98.22565	5.0
105.07031	13.9
107.08591	8.4
109.06559	4.0
109.10155	8.0
111.08067	3.9
117.06998	6.4
119.08571	14.2
121.02844	3.1
121.10121	6.6
127.03889	3.1
127.98907	2.6
128.06151	3.4
131.08548	15.7
133.10146	5.7
145.10139	15.6
147.11693	7.9
151.07515	11.2
153.01826	5.5
157.10161	4.5
159.11708	10.5
163.07495	4.2
173.05948	3.6
175.11203	4.6
177.09097	5.5
178.56313	3.7
187.14806	16.9
205.15909	12.0
215.14328	8.1
216.33549	3.2
233.15338	35.7
251.16525	14.3
258.05118	3.4
265.12119	5.9
287.05478	100.0
287.08679	5.1
397.06503	3.0
425.97534	3.2
430.18933	8.3
431.18448	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02533	2.5
61.02923	3.7
65.03933	4.4
67.05498	3.1
69.03448	3.1
69.07054	2.8
69.87524	9.8
79.05521	7.2
79.91445	2.7
81.07068	15.2
85.02896	6.2
91.05447	6.1
93.07062	8.2
95.04982	3.7
95.08618	10.8
98.10559	3.1
100.11283	4.4
103.53819	3.5
105.07025	18.2
107.08609	10.7
109.10194	4.3
117.07058	5.7
119.08581	6.3
121.10147	4.0
131.04956	2.9
131.08546	17.3
133.10147	3.4
137.05957	3.4
139.03777	3.9
145.04984	4.1
145.10120	13.5
147.11690	15.7
149.02351	45.7
149.03444	6.6
150.02702	27.9
159.08009	3.7
159.11658	4.5
161.13223	3.1
173.09737	4.2
187.14845	25.8
191.10710	3.5
193.04991	28.9
194.05334	21.2
197.13234	6.4
205.15903	27.9
215.14317	16.0
233.15392	100.0
234.15697	8.8
237.07645	7.3
238.07930	5.2
243.09610	3.0
251.16393	13.5
342.06985	5.9
342.14417	3.1
360.08026	4.6
386.09702	19.8
430.12103	70.8
431.12668	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97547	7.8
62.07955	6.7
62.23938	6.7
66.88453	8.2
67.05508	17.1
69.07069	16.4
71.05009	8.2
79.05489	17.5
81.07056	41.2
85.02888	22.4
91.05467	17.2
92.05769	9.7
93.07049	28.2
95.08589	38.1
97.02875	10.2
98.22576	29.9
104.42445	7.9
105.07003	44.3
107.08600	15.5
109.06574	8.8
109.10152	62.3
117.06985	16.2
119.08590	22.2
121.10139	17.5
127.11237	19.7
131.04942	8.8
131.08540	36.8
133.10104	12.0
135.04408	11.6
135.07944	8.7
137.05978	19.9
145.10115	35.9
147.11642	19.7
149.05998	31.7
159.11732	23.4
163.07513	19.3
177.09108	13.5
177.16417	18.6
187.14833	73.6
205.15828	24.6
215.14299	16.8
230.12367	11.6
233.09702	10.3
233.15329	100.0
233.42099	8.1
234.15608	12.0
247.11203	25.1
251.16472	31.4
266.12784	9.8
334.36166	8.5
387.88486	8.9
413.17871	8.1
431.18494	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.4
67.05507	10.7
67.44974	1.1
69.03410	2.1
69.07069	2.4
69.38822	2.3
69.39228	4.5
73.02914	11.3
79.05492	4.5
81.07055	8.1
83.04978	1.2
85.02905	8.6
87.04408	1.4
91.05455	10.6
91.83861	1.2
93.07030	5.1
95.08604	8.0
97.02884	3.0
97.06509	1.5
98.22623	2.0
105.03387	1.4
105.07030	12.3
107.08590	4.9
109.10154	44.0
110.10506	1.4
111.04381	1.5
117.06980	2.3
119.08512	5.6
121.02875	4.0
121.06467	2.0
121.10133	1.6
122.17529	1.0
123.04430	1.4
123.11681	6.9
125.05965	2.8
127.03881	2.8
130.05180	1.5
131.08560	10.0
133.10124	3.8
135.04414	5.3
137.05966	2.2
139.07550	1.1
145.10143	10.8
145.26007	1.4
147.08063	1.5
147.11679	3.5
149.05977	5.5
149.09583	1.4
151.07555	4.5
153.01819	4.1
159.08015	1.7
159.11673	2.5
161.13179	1.5
163.07574	3.4
165.01819	1.5
173.09634	2.7
177.09113	17.8
187.14824	8.4
191.10704	4.0
192.11070	2.3
197.13403	1.6
205.15800	2.1
215.14320	12.5
233.11714	2.2
233.15367	49.9
234.15752	3.1
251.16389	2.1
286.04596	1.4
287.05484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.6
61.02925	3.4
65.03976	2.4
67.05518	10.3
69.03429	3.2
69.07076	5.0
69.22642	13.2
69.23048	4.6
72.84825	2.0
79.05492	7.4
81.07058	20.8
85.02925	10.9
85.32130	2.0
91.05463	29.2
91.05900	2.3
93.07051	20.5
95.08615	20.3
97.02891	3.4
98.22698	3.4
103.05506	3.0
105.07037	38.1
105.24148	2.0
107.08604	13.6
109.06503	2.8
109.10154	17.3
117.07008	8.1
119.08589	13.6
121.06474	3.2
121.10188	2.9
123.11739	3.6
125.05990	4.0
127.03905	3.1
129.07027	2.5
131.04927	7.2
131.08575	24.4
133.10117	7.2
135.04399	16.4
135.08086	2.3
137.05984	8.6
144.37997	2.2
145.06447	4.8
145.10139	28.4
147.11641	8.8
149.05972	35.9
151.07553	2.4
157.10075	2.7
159.07983	4.0
159.11681	8.3
161.13373	3.0
163.07535	10.9
169.10149	3.4
173.09618	3.8
175.11154	3.0
177.09151	13.7
183.94495	2.1
187.14813	79.2
188.15172	5.6
191.10670	7.4
197.13293	7.7
205.15880	9.4
215.14296	60.4
216.14607	4.2
233.15364	100.0
234.15704	7.2
251.16428	57.4
366.20618	2.2
431.18283	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.0
56.05844	2.3
57.07083	13.4
59.64537	2.2
60.95340	1.8
62.95539	2.1
67.05494	7.6
68.05824	1.8
69.07070	14.0
70.07386	2.2
71.08635	10.5
71.62591	1.7
79.05493	2.4
81.07055	13.6
82.07389	3.2
83.04988	3.9
83.08616	7.6
84.08968	1.9
85.10191	5.3
91.05482	6.5
92.05808	1.9
93.07037	8.7
94.84148	1.7
95.08609	18.4
96.08944	5.9
97.06554	2.3
97.10175	4.9
98.22565	4.3
105.07040	6.7
106.07412	2.5
107.08614	7.8
108.08906	3.2
109.10164	10.2
110.10526	3.7
111.11732	3.6
112.12056	1.9
119.08613	9.8
121.06481	13.5
121.10139	4.8
122.10454	2.6
123.08073	2.0
123.11733	3.9
125.05975	3.0
131.08585	3.6
132.08910	2.1
133.10149	5.6
134.10449	2.7
135.08052	3.7
135.11679	4.2
136.08859	9.8
136.12029	2.3
137.09590	10.8
137.94687	1.7
145.10173	5.2
146.10461	2.2
148.12036	4.2
149.09622	8.9
149.13301	3.2
150.10028	2.3
157.10100	3.3
159.11696	4.4
160.12053	3.2
163.11220	4.8
164.08328	24.4
165.09119	95.9
166.09470	9.4
172.12062	2.0
173.09682	2.2
173.13261	2.9
175.11206	7.9
176.11548	7.2
177.09122	3.4
186.13577	2.2
188.15309	2.3
190.13081	3.3
191.10634	2.2
203.55513	1.9
205.12276	8.0
212.15424	2.0
216.14627	2.7
230.16174	2.4
258.19580	1.9
263.60553	1.8
264.34912	1.7
272.20969	4.1
384.37048	3.7
394.35458	10.0
412.36502	29.6
430.37827	100.0
431.38513	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
55.05510	0.3
61.29400	0.2
61.79634	0.2
67.05495	0.6
68.99791	0.8
69.03422	0.4
69.07066	0.3
73.02918	11.3
79.05473	0.6
81.03426	0.2
81.07039	0.6
85.02921	1.0
87.04483	1.0
91.05480	0.6
93.07043	0.5
95.04971	0.4
95.08589	0.8
97.06532	0.2
99.04454	0.3
104.02103	0.2
105.03402	0.5
105.07026	0.7
107.04952	0.5
107.08598	0.6
109.02912	0.4
109.10159	0.6
111.00819	1.0
117.06966	0.2
119.04951	0.2
119.08587	0.6
121.02873	3.1
121.10130	0.5
127.03944	0.2
131.08569	0.3
133.02829	0.7
133.10042	0.2
135.04451	0.3
137.02333	0.8
137.05978	0.8
145.06508	0.3
145.10114	0.4
147.04424	0.8
149.13213	0.2
151.07547	1.4
152.07890	0.6
153.00734	0.2
153.01808	4.4
153.02943	0.4
157.06473	0.7
159.11655	0.2
160.59750	0.2
165.01826	2.1
165.09169	0.4
171.04411	0.4
171.11652	0.3
183.02864	0.9
185.06012	0.5
191.07068	0.9
191.10654	0.6
192.07321	0.4
199.33054	0.2
203.07076	0.2
213.05461	1.6
215.10826	0.3
229.04895	0.3
231.06528	0.8
233.11722	2.7
234.12073	1.9
241.04915	0.8
257.04404	0.3
258.05243	1.4
259.05923	0.4
263.74408	0.2
286.04706	0.5
287.05475	100.0
288.05801	6.5
431.26364	0.3
438.03433	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03280	0.2
53.03943	0.4
55.01877	0.3
55.05518	0.3
56.51432	0.2
57.07059	0.2
59.04999	0.3
67.05499	0.6
68.99792	0.7
69.03425	1.0
69.07057	0.4
71.04979	0.6
71.29040	0.2
73.02920	12.3
75.12473	0.2
79.05489	0.7
81.03432	0.5
81.07049	0.9
83.04991	0.6
85.02911	1.8
85.06551	0.4
87.04472	1.3
91.05470	0.7
92.05779	0.3
93.07037	0.8
95.04984	0.5
95.08608	0.9
97.02875	0.6
97.06519	1.0
98.97543	0.3
99.04452	0.7
99.08100	0.3
105.03392	0.5
105.07003	1.3
107.04939	0.7
107.08593	0.7
107.33479	0.3
108.99905	0.2
109.02872	0.5
109.06553	0.3
109.10179	0.5
111.00791	0.7
111.04455	0.3
111.08112	0.2
116.98674	0.3
117.07082	0.3
119.08550	1.0
121.02870	3.8
121.06454	0.3
121.10122	0.4
123.08072	0.4
125.09674	0.3
126.44239	0.2
127.03896	0.6
129.06998	0.4
131.08568	0.7
133.02858	0.5
133.06360	0.3
133.10098	0.8
135.04401	0.3
137.02315	1.0
137.05988	0.7
137.09697	0.2
141.06982	0.4
143.08562	0.7
145.06512	0.4
145.10124	0.6
147.04405	1.0
147.08034	0.3
147.11653	0.4
149.09631	0.3
153.01837	5.4
157.06512	0.7
157.10109	0.4
159.11723	0.6
161.05992	0.4
165.01852	2.0
165.09108	0.3
169.06502	0.3
171.11684	0.2
173.13301	0.3
173.23347	0.2
175.11201	0.3
181.04958	0.5
183.02879	0.9
185.05984	0.4
187.14850	0.3
197.06050	0.3
197.13145	0.3
213.05438	1.6
215.07190	0.3
215.14235	0.7
217.15746	0.2
231.06538	0.8
233.11717	1.0
233.15439	0.9
234.12015	1.3
237.12769	0.2
241.04942	0.9
251.16434	0.6
252.13074	0.3
257.04498	0.4
258.05228	1.5
259.05969	0.6
286.04715	0.6
287.05499	100.0
288.05826	6.2
299.05597	1.0
311.05505	0.2
329.06708	0.4
367.08112	0.3
369.05899	0.4
395.07324	0.3
413.08673	0.5
431.09457	0.5
431.18011	1.0
431.23193	0.3
446.72031	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0973
Annotation	3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone
Peak:m/z	Relative Intensity
55.05518	0.3
62.39760	0.3
67.05497	0.4
68.99793	0.6
69.03388	0.2
73.02921	11.4
81.07054	0.6
85.02882	0.6
87.04471	1.0
91.05480	0.3
93.07046	0.4
95.08632	0.3
97.02891	0.3
98.22625	0.5
98.97594	0.5
99.04482	0.4
105.07076	0.6
107.04976	0.5
107.08603	0.3
109.02884	0.4
111.00805	0.6
119.08576	0.3
121.02882	3.4
123.08075	1.0
132.39696	0.2
133.02814	0.3
136.06413	0.2
137.02325	1.0
145.06458	0.4
147.04390	0.7
151.07535	4.3
153.01840	4.8
157.06473	0.7
159.11630	0.3
164.90176	0.3
165.01862	1.9
169.10100	0.3
171.04466	0.4
183.02885	1.2
185.05960	0.5
191.10773	0.8
205.12289	0.4
213.05431	2.0
229.04991	0.3
231.06456	1.1
231.85678	0.3
237.02628	0.3
241.04929	0.7
257.04501	0.4
258.05255	1.3
259.06073	0.8
270.18329	0.3
286.04712	0.5
287.05502	100.0
288.05814	6.6
299.05627	0.3
371.13699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.2
65.03639	1.3
65.03938	8.7
67.05513	3.8
71.29626	1.8
71.29992	2.7
74.27151	1.3
81.03445	1.4
82.99863	2.6
83.04990	9.0
86.99339	2.3
93.03420	17.9
95.04985	16.5
101.00883	26.1
104.63652	1.6
107.03448	1.7
111.04466	4.6
113.00855	2.2
118.01958	1.6
119.01264	1.0
119.01924	60.6
121.02875	63.9
122.03279	2.6
125.04520	3.2
127.02451	1.7
131.01900	2.8
137.02966	10.1
139.02374	2.3
139.03912	6.3
139.13100	1.4
141.03998	1.9
151.02431	5.7
153.03990	10.4
155.01909	2.0
161.00952	2.0
169.03479	17.1
171.01398	1.6
171.05011	11.4
179.01910	10.8
180.02028	1.6
183.05144	2.6
183.06799	1.5
187.04460	3.2
193.03453	3.3
195.01523	1.9
195.05046	6.9
197.01161	2.8
197.02977	56.9
198.03175	5.6
203.01904	6.2
211.04526	7.5
213.06079	2.2
215.03993	27.4
216.04179	1.9
221.02950	23.2
229.05435	2.4
233.05064	6.0
239.04063	11.7
240.04047	1.5
245.06717	2.1
257.05060	39.2
258.05154	2.1
263.04184	1.5
263.07825	2.6
271.04517	2.7
273.06125	4.3
275.06125	100.0
276.06366	9.8
279.07266	1.5
281.03152	2.0
289.05557	5.0
291.07153	2.3
299.04016	8.2
307.06564	4.0
309.04840	1.5
309.08020	2.9
311.06274	1.7
317.05038	10.8
322.28189	1.6
327.05630	2.3
333.82410	1.4
335.06134	9.2
336.06329	2.5
353.07260	12.2
371.03964	2.5
371.08267	24.6
372.08527	4.7
389.09305	98.7
390.09674	14.2
426.01440	1.8
440.83551	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.5
55.05511	5.1
65.03960	14.1
65.90099	1.7
67.05514	2.3
69.64167	8.8
72.96159	2.3
81.03413	2.5
82.99861	2.2
83.04998	6.5
93.03420	20.2
95.04982	16.2
101.00887	26.0
105.00375	2.5
107.03516	2.0
111.04472	6.8
111.07317	1.7
113.00882	2.3
119.01925	80.9
120.02072	4.2
121.02878	88.7
122.03169	3.5
125.04519	3.5
127.02491	1.5
131.01901	3.4
135.02870	1.6
137.02979	14.6
139.02408	3.3
139.03931	6.9
141.03984	3.5
145.03571	2.2
151.02455	6.4
153.03989	10.4
157.03452	2.8
161.02991	3.3
163.03961	2.5
169.03490	21.2
170.03734	3.1
171.05032	19.3
173.02985	2.9
179.01953	14.7
179.65947	1.9
187.04555	5.7
187.97350	2.0
193.03528	2.8
195.01352	2.5
195.05081	7.3
197.01140	4.2
197.02974	75.9
198.03113	8.4
203.01974	5.4
211.04579	13.5
213.06117	4.0
215.04008	36.7
216.04272	3.0
221.02986	23.8
222.03229	3.8
233.05125	7.6
239.04019	9.6
245.06642	3.8
257.02411	2.9
257.05087	50.3
258.05359	4.7
261.06088	3.1
271.04541	5.1
273.06219	4.9
275.06149	99.8
276.06412	6.1
289.05499	6.4
291.07065	5.7
298.07761	4.4
299.03976	12.0
307.06622	3.9
309.04922	3.2
309.08197	2.5
317.04990	11.2
335.06143	9.8
353.07321	8.5
354.07370	2.3
361.03345	1.8
371.08246	33.0
372.08502	3.2
389.09357	100.0
390.09628	15.5
431.01425	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65625	0.4
62.52022	0.4
70.06571	0.6
70.57357	0.4
71.28231	0.6
72.08143	0.7
73.04760	0.9
83.04993	0.5
85.02887	0.4
91.05846	1.8
98.97620	0.6
98.98450	0.5
101.05982	0.5
101.32462	0.4
103.23930	0.4
119.01928	1.6
120.07400	0.5
121.02867	0.7
121.06521	2.6
122.06822	1.0
136.06221	0.6
137.02092	1.5
138.09114	1.1
139.03860	0.4
143.01924	0.9
147.04381	1.1
156.97644	0.4
160.07552	0.4
161.02957	1.2
165.07036	0.6
166.25102	0.4
167.17612	0.4
169.03500	0.7
169.04985	0.4
177.00963	0.4
185.04242	1.0
185.09123	0.4
193.06638	0.4
196.60510	0.4
197.02989	1.0
203.04164	0.6
211.07628	1.5
219.01941	2.1
255.02165	0.5
257.05069	0.5
275.06168	1.0
294.05344	0.6
299.07410	4.5
317.08447	7.1
361.02679	1.1
389.09390	1.0
431.11624	100.0
432.12109	6.7
450.09616	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.0
67.05497	3.0
79.05524	3.3
81.07043	4.0
93.07031	2.1
95.08666	2.8
105.07076	3.5
119.08601	3.2
121.10117	3.1
131.08572	2.5
137.05995	4.5
151.03929	2.4
151.07512	4.0
155.08565	2.1
165.09154	9.8
211.07378	2.5
223.11284	2.9
225.09137	5.6
227.06973	4.4
237.09081	3.3
239.06981	2.6
239.10570	3.6
241.08624	5.6
249.09241	3.4
251.06937	3.5
251.10603	2.4
252.07735	4.1
253.08652	8.7
253.12183	2.8
254.09421	7.2
255.06593	4.0
255.10130	4.4
256.07495	2.6
256.10989	3.4
265.08353	3.1
266.09265	4.5
267.10123	8.5
268.10922	6.6
269.08130	7.3
269.11624	5.8
270.08792	4.9
271.09708	7.0
279.06653	2.7
279.09940	4.5
280.10980	3.4
281.08151	8.5
281.11697	4.4
282.08969	4.3
282.12396	3.8
283.09641	8.9
283.12991	3.1
284.10309	8.6
285.07690	5.8
285.11154	10.0
286.08353	3.7
287.09213	7.8
293.11719	4.8
295.09610	9.1
295.12970	3.2
296.10458	5.3
297.07596	10.6
297.11215	10.1
298.08499	3.0
298.11841	4.1
299.09146	8.9
299.12787	17.0
300.06482	3.0
300.09818	3.1
300.13406	4.5
301.10687	15.3
309.11252	5.5
310.12000	5.2
311.09225	4.5
311.12827	12.0
312.09888	7.8
312.13556	13.7
313.10678	22.2
313.14215	4.7
314.11383	7.1
315.08630	16.1
315.12210	7.6
316.12985	3.3
321.11185	3.9
325.10464	3.7
325.14172	5.4
326.11615	4.9
326.15164	13.3
327.12299	16.7
328.13092	16.8
329.10236	8.7
330.10980	8.3
332.12543	2.9
336.13580	6.4
339.15811	3.3
340.12985	3.6
341.13937	22.9
341.17822	3.6
342.14532	26.4
343.11761	6.3
343.15424	20.6
344.12473	5.5
345.13324	33.9
346.13693	3.8
352.12927	3.6
353.14493	3.1
354.14676	3.0
356.16055	9.4
357.13126	4.5
357.16949	19.5
358.14011	7.7
359.14868	49.2
360.15115	3.9
367.15524	6.1
368.16269	12.7
369.13043	3.8
371.14905	7.0
373.16455	42.4
374.17233	100.0
375.17587	7.0
382.17786	18.6
384.15674	5.4
385.16455	4.7
387.14053	3.9
398.17316	4.2
399.13037	3.9
399.17804	14.8
400.18793	40.1
401.19177	3.9
413.19662	4.3
416.18387	6.5
431.15439	4.1
431.20743	40.7
431.25958	4.4
432.21118	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37893	0.3
53.03937	2.0
63.60581	0.2
64.57698	0.2
65.03920	0.8
66.04711	0.3
67.05499	0.5
69.08312	2.4
70.64708	0.3
75.04472	0.3
75.35809	0.2
75.49496	0.2
77.03868	0.3
78.04704	0.3
79.05503	4.2
81.03423	3.8
81.07063	1.8
87.40687	0.3
91.05471	0.4
92.02621	0.2
93.07040	0.5
94.04197	0.7
95.04988	1.3
95.08613	0.6
96.05759	2.8
99.04489	0.3
105.04497	0.4
105.07011	0.4
107.04951	0.4
107.08620	0.4
108.05744	0.9
109.02859	0.8
109.06545	2.2
111.08060	1.0
113.06022	0.4
119.08557	0.3
121.02857	0.6
121.06522	0.4
122.03662	2.8
124.05211	4.1
128.04692	0.7
137.02303	1.9
139.07552	6.3
141.01784	0.7
151.03908	1.7
152.04683	9.4
155.08498	0.5
156.04153	0.9
161.09637	0.4
161.16280	0.2
163.53111	0.2
167.03404	0.4
167.07053	1.6
173.09575	0.3
180.04137	0.4
181.08582	0.4
184.03690	0.6
185.08099	0.9
189.09187	0.6
195.06531	100.0
196.06876	3.5
197.04482	0.2
203.10664	0.3
204.11484	1.1
206.09264	0.3
209.13100	0.3
216.95717	0.3
231.10287	0.3
232.10904	1.0
235.13202	2.0
248.10339	0.4
249.11177	0.7
259.14865	0.4
263.12735	3.3
358.66406	0.3
431.20496	1.0
431.25812	2.5
432.26291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.1
51.02382	0.2
53.03951	1.8
55.01872	0.1
55.05506	0.3
65.03937	0.9
66.04723	0.3
67.05489	0.6
68.02663	0.2
69.03433	0.2
75.04468	0.2
77.03902	0.3
78.04720	0.4
79.05492	4.7
81.03415	3.7
81.07060	2.2
81.35309	0.1
82.04179	0.1
83.04997	0.4
91.05486	0.4
92.02620	0.2
93.03403	0.4
93.07037	0.3
94.04185	0.9
95.04982	1.6
95.08588	0.3
96.05754	2.7
98.03666	0.2
98.23433	0.3
105.03393	0.3
105.04510	0.5
105.07037	0.2
106.04176	0.3
107.01339	0.3
107.04939	0.4
108.05773	0.8
109.02866	0.7
109.06519	3.1
111.08088	0.8
113.02361	0.4
113.06003	0.6
119.08561	0.3
121.02874	0.9
121.06519	0.2
122.03652	2.7
123.04446	0.4
124.05213	4.5
128.04727	0.7
133.10150	0.2
137.02347	1.6
137.06024	0.1
139.07547	5.7
140.22871	0.1
141.01826	0.7
143.07031	0.2
147.07990	0.2
147.11710	0.1
151.03894	2.3
152.04680	9.2
153.05052	0.2
156.04164	1.3
167.03400	0.4
167.07063	1.4
167.94279	0.1
171.11722	0.2
180.04141	0.5
180.07951	0.2
181.08580	0.7
184.03691	0.6
185.08113	1.0
189.09073	0.9
195.06526	100.0
196.06863	3.3
203.10619	0.4
204.11482	1.3
205.08649	0.3
206.09413	0.3
207.10048	0.2
217.08493	0.2
220.10835	0.2
221.11592	0.3
225.12772	0.2
231.10124	0.3
232.10968	0.8
235.13261	2.4
236.13573	0.2
249.11169	0.5
253.39209	0.1
263.12766	3.4
350.15036	0.2
367.15048	0.2
413.25342	0.2
431.20520	1.8
431.25864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.05512	0.9
57.07045	0.4
60.78526	0.3
65.03921	0.9
67.05486	1.3
69.07067	0.5
69.35462	1.0
69.35864	1.8
71.04997	0.5
77.03922	0.6
77.15670	0.4
77.49052	0.3
78.04684	0.4
79.05493	4.4
81.03403	3.7
81.07065	2.5
83.04971	1.4
89.09129	0.4
91.05463	1.1
93.07040	1.1
94.04175	0.6
95.04959	2.1
95.08615	1.1
96.05738	2.5
105.07027	1.2
107.08601	1.1
108.05720	0.6
109.02914	0.7
109.06510	3.0
111.08072	1.2
113.05972	0.5
117.33481	0.4
119.08589	0.9
121.02854	0.9
121.10206	0.5
122.03630	2.8
123.04411	0.6
124.05192	4.8
128.04630	0.6
131.08542	0.7
133.10135	0.7
135.11784	0.4
137.02333	1.4
137.05974	0.6
139.07530	6.5
141.01807	0.5
142.07779	0.7
145.10150	0.8
151.03899	1.6
151.07567	0.4
152.04674	9.8
153.06921	0.4
155.08598	0.5
156.04149	1.2
156.09337	0.5
157.10110	0.7
159.11707	0.9
167.03398	0.9
167.07076	2.4
167.08295	0.6
169.10172	0.8
171.11687	0.5
173.09633	0.8
181.08624	0.6
183.11667	0.9
184.03564	0.5
185.08076	1.2
185.09561	0.9
187.11227	1.2
189.09085	0.8
189.12755	0.5
195.06522	100.0
196.06889	4.2
197.13271	0.6
199.11238	0.4
203.10713	0.7
204.11444	1.8
205.08546	0.6
207.11671	0.6
209.13176	0.6
221.13376	0.5
223.11382	0.5
225.12711	1.4
232.10925	0.6
233.13358	0.8
235.13176	3.4
237.12810	0.8
248.15826	0.4
249.11331	0.9
257.13297	0.5
263.12659	2.9
277.15778	0.4
291.17249	0.6
315.74298	0.4
317.18958	0.8
327.70947	0.4
413.24860	2.6
431.20496	1.6
431.25726	13.5
432.26120	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46960	0.8
69.07050	1.0
80.21688	0.6
81.07014	1.0
97.06514	1.0
98.23376	1.6
109.12016	0.8
110.36420	0.7
131.04129	0.7
153.05424	0.8
167.07014	1.0
167.08530	0.8
181.06499	1.0
195.06444	0.8
197.05896	2.5
198.06657	1.4
199.07515	1.6
211.07451	1.6
212.08313	1.1
213.05583	0.9
213.09006	1.7
214.06227	1.4
215.06894	1.1
221.09741	0.8
224.08453	0.8
225.09026	1.5
226.06262	2.3
227.07088	6.0
228.07816	1.8
229.04991	1.5
229.08614	1.9
237.12715	1.5
238.06056	0.8
238.09850	1.3
239.06786	1.7
239.10692	1.6
240.07748	1.5
241.05009	1.7
241.08615	6.1
242.05759	1.2
242.09384	5.1
243.06462	2.2
243.10194	0.8
244.07272	2.5
249.09052	0.9
253.04854	0.9
253.08624	2.1
254.05859	3.5
254.09326	2.1
255.06435	4.3
255.10138	1.9
256.07324	2.6
256.10785	1.0
257.04431	2.8
257.08008	5.8
258.08850	3.3
259.09634	1.9
263.06992	1.1
266.09430	1.5
267.06567	1.7
267.10080	1.7
268.07343	2.6
268.10953	2.8
269.08066	7.1
269.11700	1.0
270.08792	3.4
271.06024	3.4
271.09454	4.5
272.06732	2.8
272.10043	1.0
273.07504	2.4
273.11230	2.3
277.08401	1.0
278.09442	1.2
279.10211	1.2
281.08038	2.2
281.11597	1.5
282.05310	2.3
282.08856	2.4
283.06277	1.8
283.09595	3.5
283.12607	0.8
284.10416	10.9
285.04156	1.7
285.07626	6.0
285.11166	6.1
286.08453	4.3
286.11530	1.0
287.09161	11.5
288.09717	1.3
289.10626	1.1
292.10645	1.0
293.07834	0.8
293.11780	2.3
294.08981	1.1
295.09726	2.7
295.13058	1.0
296.10394	2.9
297.07599	6.7
297.10886	1.1
298.08167	1.0
298.11862	1.1
299.09164	6.1
299.12769	8.1
300.06317	2.6
300.09885	6.3
300.13141	1.2
301.07193	2.3
301.10684	20.0
302.11203	1.3
304.13190	1.0
307.13306	1.2
308.10117	1.1
309.11160	4.8
311.09055	1.9
312.09879	9.4
312.13522	3.1
313.10541	2.1
314.11447	1.1
315.08609	20.9
315.12296	15.5
316.09146	3.3
316.12946	15.7
317.10074	1.7
317.13361	1.7
320.12607	1.4
321.11179	5.0
323.12704	2.1
324.13477	2.1
325.10791	1.4
325.14224	0.9
326.15192	0.9
327.12256	13.8
328.12881	3.1
329.10126	1.4
329.13840	1.8
330.10968	15.3
330.14639	1.4
331.11548	4.5
332.12537	4.7
334.14310	1.2
335.15161	1.7
336.13498	6.3
337.10672	3.1
337.14267	1.1
339.15952	21.8
339.19592	0.8
340.16348	3.0
341.13852	1.2
342.14618	28.6
343.11707	4.7
343.15326	3.2
344.12415	1.2
345.13321	100.0
346.13651	8.9
347.14853	5.9
350.15280	1.2
351.12216	2.3
352.12933	2.4
353.13470	1.2
355.15332	1.5
356.16257	2.6
357.13147	1.1
357.16983	1.1
358.14017	8.0
359.14880	1.8
366.14801	1.3
367.15479	4.5
368.15894	1.3
372.15482	1.7
372.19373	6.7
373.16455	12.9
373.20746	1.1
374.16870	0.8
382.17685	11.1
383.14664	1.7
385.16531	1.3
388.18982	1.6
398.17340	4.0
399.17780	1.9
400.18741	5.7
403.21185	3.8
413.19507	5.7
416.18402	4.7
431.20651	23.5
431.25815	1.5
432.20905	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
54.31934	0.2
55.05508	0.6
57.07069	0.4
65.03936	0.7
66.04704	0.4
67.05512	1.2
69.03415	0.2
69.07083	0.5
69.30138	1.1
69.30555	0.4
74.03815	0.2
75.04475	0.2
77.03921	0.4
78.04718	0.4
79.05067	0.3
79.05493	4.2
81.03415	4.3
81.07068	2.7
83.04975	0.7
83.08651	0.2
85.10164	0.2
91.05471	0.8
91.88825	0.2
92.02621	0.3
93.03401	0.5
93.07022	0.8
94.04191	0.8
95.04975	1.7
95.08606	1.0
96.05746	2.5
105.04513	0.7
105.07053	1.0
107.01324	0.2
107.04971	0.5
107.08578	0.6
108.05723	0.7
109.02874	0.8
109.06520	2.8
109.10154	0.3
111.04438	0.3
111.08080	0.8
113.02391	0.4
113.06013	0.7
117.07006	0.4
117.34341	0.2
119.08565	0.9
121.02856	0.9
121.06490	0.3
121.10155	0.4
122.03660	3.1
122.40189	0.2
123.04449	0.4
123.08124	0.3
124.05203	4.3
128.04688	0.6
131.08545	0.4
133.10147	0.5
137.02341	1.2
137.05931	0.4
139.03961	0.2
139.07538	6.4
141.01830	0.7
142.07780	0.2
143.08557	0.4
145.10098	0.3
145.23868	0.2
147.11665	0.3
151.03905	2.1
151.07536	0.4
152.04681	9.1
152.05930	0.4
153.05150	0.2
155.08513	0.3
156.04164	1.3
157.10094	0.4
159.11674	0.4
161.09650	0.3
161.13168	0.3
163.11174	0.2
167.03366	0.4
167.07068	2.3
167.08409	0.3
169.10121	0.5
171.11646	0.4
181.08601	0.7
181.10104	0.4
183.11723	0.2
184.03572	0.4
185.08107	1.2
185.09541	0.3
188.08209	0.2
189.09094	1.1
195.06526	100.0
196.06847	4.0
203.10678	0.6
204.11485	1.2
205.12221	0.3
207.11862	0.3
209.13210	0.3
211.14891	0.2
216.07582	0.2
221.13322	0.4
223.15001	0.2
231.10136	0.3
232.10991	0.7
233.13336	0.2
235.13203	2.1
237.12791	0.4
239.79721	0.2
241.70741	0.2
245.13182	0.3
249.11147	0.4
249.16379	0.2
263.12726	3.3
317.18726	0.3
413.19669	0.3
413.24606	0.9
413.29846	0.3
431.20401	1.0
431.25485	4.3
432.25967	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.3
53.03947	2.2
55.05502	0.5
65.03928	0.6
66.50780	0.2
67.05492	0.7
69.03410	0.3
69.82835	0.2
71.31573	0.3
72.74592	0.2
77.03928	0.4
78.04716	0.6
79.05489	3.8
81.03413	3.3
81.07055	2.1
83.04976	0.4
91.05479	0.6
92.02635	0.3
93.03408	0.4
93.07040	0.5
94.04175	0.6
95.04948	1.5
95.08596	0.6
96.05756	1.8
97.06495	0.2
105.03403	0.4
105.04491	0.3
107.04916	0.4
107.08605	0.3
108.05724	0.7
109.02878	0.6
109.06517	2.6
109.10179	0.3
111.08059	0.9
113.02354	0.4
113.06020	0.6
119.08550	0.7
121.02876	0.8
122.03646	2.8
123.04466	0.3
124.05215	4.2
128.04692	0.6
128.06131	0.3
129.07001	0.3
131.08496	0.2
132.55215	0.2
133.10162	0.4
137.02325	1.3
139.07526	5.6
141.01813	0.7
143.08549	0.2
145.10103	0.2
149.41656	0.2
151.03941	1.7
152.04672	8.5
152.05919	0.4
155.08580	0.4
156.04126	1.4
156.09253	0.2
157.10065	0.4
161.13173	0.3
166.47644	0.2
167.03416	0.4
167.07082	1.6
171.08083	0.3
171.11711	0.4
173.09633	0.3
175.07523	0.3
179.08502	0.3
180.04184	0.3
181.08646	0.4
184.03629	0.3
185.08084	0.8
187.11234	0.5
189.09108	0.9
193.08626	0.3
193.10364	0.3
195.06520	100.0
196.06876	3.5
203.10619	0.4
204.11421	1.3
207.10075	0.3
213.12904	0.3
217.08540	0.4
221.11684	0.4
225.12689	0.2
225.76833	0.2
232.10899	0.9
233.08339	0.2
235.13185	2.4
237.12848	0.4
248.10333	0.2
249.11151	0.8
263.12759	3.3
291.17459	0.2
298.86386	0.2
350.15216	0.3
413.24420	0.5
431.20471	1.3
431.25754	3.3
432.26361	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.8
56.02953	0.8
65.62590	1.0
67.05470	1.1
68.65482	0.8
69.07035	3.9
69.07462	4.5
74.50872	0.8
75.04471	3.7
95.08633	1.0
105.05563	1.0
107.08611	1.1
189.09084	1.9
195.08115	1.6
204.11467	2.7
207.07985	1.1
209.09389	1.0
211.07553	2.6
212.08360	1.6
213.09052	1.8
223.07533	2.8
224.08241	2.2
225.09045	2.5
226.06297	1.8
226.09857	1.3
227.07008	2.9
227.10625	2.4
229.08449	1.2
235.07452	1.7
235.11208	1.4
235.13332	3.9
236.08340	2.1
237.09142	2.5
238.09685	1.2
239.07104	4.0
239.10710	2.5
240.07726	3.0
241.08557	7.4
242.09341	5.6
243.06543	1.4
243.10201	1.8
249.09111	2.5
250.09807	2.5
251.07013	2.7
251.10558	2.3
252.07796	2.4
252.11522	1.6
253.04852	1.2
253.08516	5.3
254.05795	1.1
254.09328	5.3
255.06506	3.1
255.10126	7.3
256.07294	1.1
256.10916	1.6
257.08051	5.2
258.09048	1.2
262.09851	1.4
263.07010	1.9
263.12796	3.7
264.07730	1.2
265.08542	4.5
266.09366	3.9
267.06552	3.0
267.10165	9.2
268.07251	2.4
268.10916	2.9
269.08127	8.7
269.11694	4.8
270.08884	6.6
270.12222	1.9
271.06354	1.7
271.09598	6.4
272.10397	1.7
273.07770	1.2
273.11322	1.5
277.08707	1.5
278.09473	2.5
279.06638	1.9
279.10156	5.8
280.07312	2.9
280.10910	4.9
281.08148	4.5
281.11691	6.2
282.06003	1.5
282.08902	7.0
282.12491	5.1
283.06323	2.1
283.09653	14.7
283.13245	4.9
284.07193	1.7
284.10416	16.7
285.07593	11.2
285.11179	12.2
286.08279	4.0
287.09113	2.4
291.10153	1.1
292.10849	2.0
293.08289	2.1
293.11691	6.7
294.08826	3.3
294.12473	3.8
295.06348	1.6
295.09662	11.9
295.13065	1.9
296.10413	5.7
297.07578	5.3
297.11240	7.6
298.08328	3.9
298.11914	20.2
299.09161	9.9
299.12659	5.9
300.06461	1.4
300.09891	17.4
301.07220	2.9
301.10669	13.7
305.11691	1.3
307.09671	2.2
308.10556	1.5
308.13953	1.2
309.07794	1.7
309.11172	10.3
309.14517	1.6
310.08368	3.0
310.11938	19.1
311.09125	12.2
311.12766	12.3
312.09912	10.9
312.13406	2.8
313.07047	2.4
313.10641	12.1
313.14343	18.0
314.11362	10.0
314.14667	1.9
315.08640	3.5
315.12198	25.6
316.09338	3.2
316.13095	8.0
317.10074	2.2
317.18973	1.1
321.11169	5.6
322.11566	2.3
323.09219	1.5
323.12823	2.9
324.10086	1.2
324.13617	3.4
325.10687	9.9
325.14362	13.1
326.11426	16.2
326.15140	18.5
327.08588	5.5
327.12247	14.2
327.15665	1.8
328.09329	5.3
328.13025	14.0
329.06961	1.1
329.10132	5.4
329.13882	10.4
330.10858	3.0
330.14331	1.4
331.11688	8.0
335.12839	1.6
336.13525	10.8
337.10645	3.3
337.13980	1.9
339.12161	1.8
339.16010	3.0
340.12936	3.1
341.13824	62.1
342.10855	4.2
342.14542	22.0
343.07596	1.5
343.11716	26.8
343.15186	3.2
344.12411	7.2
345.13312	11.2
346.13968	1.9
347.14771	3.8
351.12173	2.1
351.15762	1.9
352.13062	3.4
353.13730	2.7
355.11588	1.2
355.15378	4.5
356.16165	100.0
357.13239	23.2
357.16910	24.7
358.14011	45.4
359.11066	4.5
359.14810	12.8
360.15277	1.5
361.17111	1.6
367.15405	20.4
368.16092	3.2
369.13248	1.8
371.14673	1.5
371.18787	1.1
372.15640	55.9
373.16336	13.7
374.13287	5.4
381.16782	1.8
382.17728	21.2
383.18591	1.8
384.15588	2.0
385.16391	2.3
387.17996	97.4
388.18265	10.2
389.15897	34.3
390.16556	5.0
398.17178	3.9
399.13406	1.8
399.18060	16.9
400.18744	21.9
401.19360	3.4
413.19507	8.1
416.18375	9.1
417.18655	1.8
431.20621	64.3
431.25864	4.8
432.20941	8.6
432.26224	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2067
Annotation	Aglacin B
Peak:m/z	Relative Intensity
55.05490	1.1
57.07071	1.3
59.04988	1.0
59.21258	0.9
67.05493	1.1
71.08623	1.1
71.32615	1.1
75.04478	3.9
76.75300	1.1
79.05470	1.3
81.07035	1.0
82.37067	0.9
86.31969	0.9
105.05508	1.3
105.07024	1.2
107.08575	0.9
109.06503	1.6
121.10158	0.9
137.05946	1.7
151.07544	2.1
153.53893	1.0
165.07025	1.0
167.07062	3.4
167.08485	1.0
177.09129	1.0
181.08653	1.3
183.08020	1.7
186.72021	0.9
195.08041	1.3
197.05971	1.4
204.11493	2.9
205.08577	1.2
209.09634	2.0
211.07495	3.0
212.08281	2.4
213.09019	2.3
221.09673	1.8
222.10442	1.2
223.07545	2.6
223.11148	1.5
224.08333	1.3
225.05539	1.2
225.09123	3.4
226.06197	1.2
226.09897	1.7
227.07079	3.1
227.10603	1.2
229.08623	1.3
233.05911	1.1
235.07558	2.2
235.13345	3.2
236.08173	2.5
237.05487	1.3
237.09178	2.6
238.09889	2.3
239.06947	4.0
239.10661	2.7
240.07886	4.3
241.08604	8.7
242.09311	5.2
243.10233	1.3
249.09134	3.5
250.09813	3.0
251.07069	4.1
251.10890	2.3
252.07809	3.4
252.11526	2.4
253.08636	5.2
253.12273	1.9
254.05667	1.4
254.09254	6.3
255.06621	3.6
255.10126	8.7
256.07245	1.9
256.10779	2.4
257.08093	5.9
258.08984	1.3
262.09885	1.1
263.06946	1.7
263.10498	2.0
263.12955	2.3
264.07819	1.1
265.05328	1.1
265.08551	5.2
265.11230	1.0
266.09460	4.6
267.06662	2.0
267.10178	8.7
268.07278	2.6
268.10870	3.7
269.08105	10.3
269.11664	4.8
270.08890	9.2
270.12146	1.8
271.06589	1.2
271.09622	7.7
272.06891	1.2
272.10129	2.1
273.07635	2.0
273.11096	2.2
277.08560	2.3
278.06400	1.2
278.09375	4.1
279.06659	2.2
279.10196	6.0
280.07513	1.8
280.10950	3.7
281.08130	6.1
281.11734	8.3
282.08893	5.2
282.12540	6.6
283.06262	2.3
283.09674	16.7
283.13202	4.3
284.07162	1.1
284.10391	20.4
285.07614	13.4
285.11197	11.3
286.08228	2.7
286.11465	1.7
287.09119	1.5
291.10098	1.7
292.10971	1.0
293.08228	2.1
293.11783	3.9
294.08832	2.8
294.12479	3.6
295.06436	1.9
295.09644	16.4
295.13193	2.8
296.07050	1.9
296.10349	6.4
297.07565	5.0
297.11166	8.8
297.14243	1.6
298.08340	5.1
298.11996	21.2
299.09106	9.2
299.12756	7.3
300.09927	22.1
300.13251	1.0
301.07062	2.8
301.10587	14.8
305.11755	2.1
306.12128	1.1
308.10440	2.5
309.11209	11.1
310.08368	2.7
310.11871	18.8
310.15204	1.8
311.09125	14.5
311.12790	14.7
312.09894	13.9
312.13507	3.4
313.07037	2.8
313.10672	14.1
313.14352	20.0
314.07962	1.8
314.11469	7.9
314.14566	1.3
315.08615	3.6
315.12152	22.8
316.09348	3.3
316.12991	8.9
320.14063	1.4
321.11261	8.6
322.11975	1.6
323.12686	2.5
324.10068	1.4
324.13522	4.9
325.10706	10.2
325.14359	11.9
326.11472	16.4
326.15152	17.9
327.08582	4.4
327.12231	14.4
327.15628	2.2
328.09360	5.8
328.13043	13.4
329.10138	5.8
329.13876	10.9
330.10953	1.7
330.14410	1.6
331.11765	6.8
335.12833	2.7
336.13513	9.2
337.10583	3.8
337.14258	2.2
339.12344	1.8
339.16022	3.2
340.13080	4.0
341.13834	56.5
341.17032	2.1
342.10980	3.2
342.14575	22.9
343.11746	30.8
343.15179	2.0
344.12561	6.9
345.13348	11.2
346.13910	3.4
347.14948	3.5
350.15305	2.3
351.15985	3.1
352.13013	2.5
354.14529	1.5
355.15378	5.8
356.16162	100.0
357.13248	23.9
357.16922	23.7
358.14044	45.2
359.11145	3.7
359.14832	13.1
361.16467	1.6
367.15433	20.5
368.16104	3.2
369.13058	2.0
371.14642	1.7
372.15656	56.6
373.16287	11.1
374.13409	7.1
374.17355	1.0
381.16974	1.1
382.17749	25.5
383.14273	1.8
383.18774	2.0
384.15591	2.2
385.16495	1.4
387.18002	96.6
388.18469	8.0
389.15918	39.2
389.21008	1.2
390.16284	3.1
398.17267	4.1
399.18112	19.2
400.18781	19.8
401.19321	2.1
413.19672	8.9
416.18381	8.7
431.20645	73.4
431.25714	4.1
432.21024	6.2
449.77649	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42752	0.2
53.03946	0.6
55.01868	0.3
55.05508	1.4
57.07070	0.2
65.03931	0.4
67.05502	2.1
69.03423	0.7
69.07076	0.8
69.15722	0.6
69.16141	1.2
79.05502	1.4
81.07055	1.7
83.04982	2.9
83.08617	0.5
91.05484	2.9
93.07043	3.0
93.16816	0.3
95.04973	1.0
95.08613	3.4
97.02901	1.0
97.06562	0.4
97.10077	0.2
99.08177	0.2
105.07042	4.2
107.04904	0.3
107.08601	2.9
107.97291	0.2
109.06525	0.8
109.10165	0.7
111.04452	1.5
111.08073	0.8
113.05992	0.3
115.05441	0.5
117.07024	1.8
119.04972	0.3
119.08578	3.7
121.06501	0.8
121.10124	1.1
123.08053	1.3
126.15903	0.2
128.06235	1.1
129.07016	2.1
131.08546	2.3
133.06519	0.4
133.10127	2.2
134.73729	0.3
135.08092	0.9
135.11722	0.3
137.06038	0.3
139.07590	0.5
141.06969	1.2
142.07759	1.9
143.08583	4.0
144.09290	0.8
145.06529	0.6
145.10114	2.3
146.07300	0.3
147.08080	0.9
147.11656	1.2
149.09682	0.3
151.07539	0.3
153.07018	0.9
154.07756	0.9
155.08559	15.5
156.09367	2.3
157.10124	3.6
158.10791	0.4
159.08058	1.0
159.11699	2.3
160.08791	0.3
161.09616	1.8
165.06993	1.4
166.07809	0.6
167.07181	0.4
167.08539	1.9
168.09349	1.1
169.10141	4.7
170.10751	0.5
171.08067	0.7
171.11696	5.0
173.09703	1.1
173.13304	0.7
175.11201	1.0
177.09042	0.4
178.07823	0.7
179.08559	2.2
180.09358	1.5
181.10126	2.6
182.10864	0.9
183.11719	1.5
185.09604	1.0
185.13251	1.1
187.11209	1.7
189.09085	0.6
191.08615	0.8
191.10555	0.4
192.09406	1.4
193.10126	4.0
194.07277	0.3
194.10915	1.9
195.01176	0.2
195.08055	0.3
195.11694	3.8
196.12442	1.2
197.09628	0.7
197.13295	1.3
198.10304	0.4
198.13809	0.3
199.11209	1.1
199.14764	0.5
202.07732	0.3
203.08620	0.5
203.10701	0.4
204.09338	0.5
205.10150	1.4
206.10854	1.8
207.11703	3.7
208.08899	0.4
208.12454	4.6
209.09689	0.8
209.13252	4.7
210.10329	0.5
210.13928	1.9
211.11374	1.6
211.14810	8.6
212.11641	0.4
212.15146	0.5
213.12808	1.2
213.16348	0.3
215.08525	0.3
216.09319	0.5
217.10095	1.0
218.10927	0.8
219.11726	2.2
220.12427	1.4
221.09625	1.0
221.13242	3.9
222.10464	0.4
222.13995	0.7
223.11530	1.3
223.14822	9.3
224.15454	1.6
225.12813	1.2
225.16420	0.6
227.14270	0.4
229.10172	0.5
230.10945	0.8
231.11690	1.4
232.12434	1.3
233.09671	0.4
233.13272	2.9
234.13998	0.7
235.11201	0.6
235.14827	2.3
236.11714	0.3
236.15401	0.5
237.12697	1.8
237.16382	0.5
238.13383	0.4
239.14343	0.8
241.12239	0.6
243.11665	2.6
244.12370	1.2
245.13304	1.8
246.10706	0.3
246.14049	0.8
247.11130	0.5
247.14926	2.4
248.15562	0.9
249.12753	0.6
249.16423	0.9
250.13234	0.3
251.14294	0.8
251.17993	0.5
256.12500	0.5
257.13309	1.9
258.14072	1.0
259.14886	2.0
260.15622	1.0
261.12814	1.1
261.16379	1.7
262.13571	0.4
262.16968	0.4
263.14319	1.0
263.18042	1.2
265.15897	0.8
269.13309	0.8
270.14038	0.7
271.14752	0.9
272.15561	0.4
273.12936	0.5
273.16376	1.7
274.13422	0.3
274.17029	0.7
275.14340	1.0
275.17969	1.8
276.15125	0.8
276.18698	0.5
277.15894	1.7
277.19540	1.0
278.16486	0.3
279.30783	0.3
281.13132	0.3
283.14789	0.5
284.15683	0.8
285.16330	0.8
287.14435	0.4
287.18011	0.7
288.15356	0.3
288.18726	0.9
289.15967	0.8
289.19537	1.7
290.16757	0.3
290.20084	0.4
291.17426	1.6
291.20517	0.3
292.18170	0.7
293.15384	0.3
293.18906	0.6
298.17227	0.5
299.17990	3.4
300.18411	0.3
301.16434	0.3
301.19391	1.2
302.16623	0.3
303.17310	0.9
303.21060	1.3
304.21835	0.8
305.18918	0.6
305.22571	0.3
311.17615	0.2
313.19540	0.5
314.16891	0.4
314.20300	3.0
315.20810	0.7
317.19031	3.0
318.19620	0.4
319.20554	0.7
321.22137	0.5
329.18750	0.5
331.20496	0.5
332.21359	1.1
333.22006	0.4
343.20630	0.3
357.18591	0.4
385.25348	0.5
387.23224	0.4
388.23291	0.3
388.70068	0.3
389.24792	0.8
395.23566	0.5
403.26337	2.4
413.24805	4.9
414.25015	1.0
416.23584	0.4
431.25812	100.0
432.26181	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01864	1.1
55.05513	8.0
59.04989	0.9
65.03933	1.0
67.05169	1.1
67.05508	11.2
69.03424	2.2
69.07068	2.9
69.14879	4.4
69.15274	1.3
71.04989	0.6
77.03939	0.6
79.05491	5.4
81.07059	4.7
83.04983	20.7
83.08631	0.6
85.49797	0.6
91.05479	14.4
91.06007	1.2
93.07047	18.3
95.04971	4.3
95.08607	17.3
97.06506	1.4
98.23409	1.0
99.04475	0.7
103.05499	1.0
105.04543	0.9
105.07031	13.1
107.08595	10.9
109.06535	1.7
109.10149	2.6
111.04434	10.6
111.08076	9.0
113.06055	0.8
115.05445	3.2
116.06248	1.0
117.07020	10.0
119.05980	0.6
119.07762	1.3
119.08581	15.3
120.68037	0.6
121.06501	4.4
121.10133	1.9
123.08062	1.8
125.09656	1.0
128.06212	4.9
128.71155	0.6
129.07011	6.7
130.07762	2.2
131.04909	0.7
131.08577	14.0
132.08839	0.9
133.06499	1.3
133.10129	9.4
134.10524	0.6
135.08023	4.5
135.11725	1.3
139.07570	3.7
141.07004	3.1
142.07770	4.9
143.08562	16.1
144.09349	4.5
145.06468	2.1
145.10130	8.1
147.08063	2.5
147.11676	4.5
149.09642	1.5
153.06982	1.9
154.07782	2.4
155.08548	6.6
156.09355	3.7
157.10129	11.2
158.10968	2.9
159.08092	3.9
159.11678	17.8
161.09621	2.7
161.13242	1.3
163.11191	0.9
165.06996	3.6
166.07791	2.1
167.08621	5.0
168.09352	2.5
169.06487	0.8
169.10107	13.0
170.10835	1.4
171.08069	1.2
171.11693	7.4
172.08841	2.1
173.09619	2.3
173.13277	2.3
173.29788	0.6
174.10263	0.8
175.11166	2.4
177.12770	0.8
178.07803	1.7
179.08557	6.9
180.09337	3.5
181.10121	7.5
182.10922	2.8
183.08011	1.0
183.11751	5.3
184.12384	1.7
185.09622	5.1
185.13245	4.4
187.11180	21.2
188.11586	1.1
189.12675	1.1
191.08563	2.2
192.09290	5.0
193.10118	9.8
194.10905	5.5
195.08029	2.0
195.11700	8.0
196.12317	2.1
197.09642	2.2
197.13246	5.5
198.13890	1.1
199.11229	3.3
199.14825	1.3
201.12715	2.0
202.07739	1.1
203.08543	2.8
204.09323	2.0
205.10097	5.9
205.11896	0.8
206.10913	5.4
207.11700	10.1
208.08978	1.0
208.12415	3.7
209.09610	1.4
209.13254	7.0
210.10429	1.0
210.13905	1.1
211.11194	2.7
211.14792	3.6
211.16585	0.6
213.12770	4.8
215.08569	2.5
216.09338	2.3
217.10118	5.4
218.10872	5.2
219.11703	7.5
220.12502	4.9
221.09676	1.9
221.13266	9.1
222.10391	2.0
222.13969	1.8
223.11255	2.8
223.14754	4.2
224.11996	1.2
225.12727	4.9
226.13362	0.9
227.08600	0.7
227.14305	2.1
228.09407	0.7
229.10120	4.4
230.10800	3.1
231.11691	6.4
232.12453	5.5
233.09634	2.2
233.10834	0.8
233.13219	12.7
234.10527	0.8
234.13907	4.7
235.11136	2.1
235.14763	7.0
236.11852	0.8
236.15289	1.1
237.12735	7.2
237.16464	2.2
239.14232	4.4
242.10968	2.0
243.11703	4.4
244.12444	5.4
245.09590	0.7
245.13240	7.5
245.15417	0.8
246.10388	1.2
246.14000	4.3
247.11081	1.6
247.12248	0.9
247.14812	11.6
248.11884	1.4
248.13118	0.7
248.15599	8.2
249.12759	4.1
249.16344	8.1
250.17058	1.4
251.14297	3.1
251.17958	1.5
253.10181	0.6
253.15984	0.7
255.11766	1.8
256.12488	1.8
257.13190	5.5
257.15051	0.6
258.14044	5.4
259.14798	9.6
260.11880	1.1
260.15564	3.8
261.12762	2.8
261.16400	7.0
262.13687	0.9
262.17038	2.4
263.14307	4.2
263.17926	5.4
264.18503	1.2
265.15884	2.6
265.19492	0.8
269.13257	2.5
270.14108	3.3
271.14780	4.5
272.15576	2.2
273.13217	0.8
273.16342	10.5
274.13828	0.9
274.17148	4.7
275.14316	3.3
275.17932	7.8
276.15076	1.7
276.18594	2.5
277.16037	5.0
277.19067	4.5
278.16190	0.7
279.17422	1.6
282.14063	0.8
283.14844	1.9
284.15604	2.4
285.16309	3.3
286.17068	1.8
287.14624	1.0
287.17923	3.9
288.15442	0.9
288.18713	6.2
289.15915	3.0
289.19513	10.3
290.16620	1.5
290.20029	1.8
291.17468	6.5
291.21088	1.9
292.18112	2.0
293.15515	0.8
293.19086	2.2
295.17239	1.1
296.15576	1.0
297.16397	0.9
299.17941	7.3
300.18384	1.7
301.16241	1.1
301.19559	3.3
302.16660	1.3
303.14288	0.6
303.17511	2.1
303.21042	2.9
304.18222	1.5
304.21893	3.0
305.15683	0.9
305.19006	2.6
305.22589	1.0
311.17786	1.0
313.15967	0.7
313.19449	2.1
314.19998	3.6
315.17413	2.1
315.20953	1.4
317.18979	10.4
318.19492	1.5
319.17200	1.2
319.20410	3.9
320.21252	1.3
321.22198	1.9
327.17407	0.7
327.21045	0.9
329.18893	1.0
331.20541	2.6
332.21283	8.7
333.22067	1.6
339.17416	1.0
341.22842	1.1
343.20416	1.0
355.20285	0.7
357.22223	1.4
369.22144	2.5
371.23697	0.9
385.25400	2.6
387.23212	11.6
388.23718	1.4
389.24692	1.6
395.23639	4.1
403.26279	12.5
404.26547	0.8
413.24738	26.3
414.25058	2.1
431.25815	100.0
432.26117	12.0
454.91635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
55.05515	3.7
65.03953	0.7
67.05511	6.5
69.03409	1.7
69.07050	3.0
72.65288	0.6
75.60994	0.7
79.05491	3.6
81.07063	5.6
83.04997	3.9
83.08603	1.1
85.06575	0.7
87.61382	0.6
91.05486	5.6
93.07056	7.4
95.04948	3.0
95.08053	1.0
95.08619	15.4
97.06500	0.8
105.07029	6.7
106.62267	0.6
107.08601	6.2
109.06499	3.0
109.10165	3.7
111.04420	2.0
111.08062	3.0
115.05453	1.4
117.07007	1.2
119.08585	6.2
120.48608	0.6
121.06471	1.8
121.10119	2.8
123.08082	4.6
123.11710	0.8
125.09625	0.8
125.21185	0.7
128.06184	2.3
129.07018	5.6
131.08539	3.0
133.10150	3.7
135.08035	2.3
135.11687	1.8
137.09595	0.8
139.07542	1.1
141.06973	4.0
141.09085	1.4
142.07803	4.5
143.08575	5.9
145.10094	3.3
147.08049	1.8
147.11699	2.3
149.09692	0.9
153.06975	2.8
154.07700	2.2
155.08578	7.5
156.09239	1.9
157.06453	0.7
157.10138	8.6
159.08049	1.2
159.11676	2.5
161.09586	2.7
161.13263	1.8
163.11214	1.6
165.06979	4.4
166.07742	2.2
167.08548	4.3
168.09302	3.1
169.06557	1.0
169.10104	4.2
171.08049	6.4
171.11673	3.6
173.13197	1.0
175.11221	1.5
175.14915	0.6
178.07773	2.5
179.08566	7.3
180.09271	2.8
181.06516	1.4
181.10075	4.8
182.10812	0.8
183.08038	2.5
183.11693	6.1
185.09637	6.6
185.13220	0.9
185.76302	0.8
187.11081	1.3
189.12738	3.5
191.08585	1.5
192.09369	3.7
193.10149	8.3
194.10909	5.5
195.08067	3.0
195.11688	5.3
196.08815	2.5
197.09636	5.5
197.11150	0.8
197.13223	3.6
199.11189	1.7
201.12772	1.0
203.08623	1.0
204.09320	1.8
205.10069	2.9
206.10901	1.8
207.08119	3.1
207.11716	8.9
208.08818	2.0
208.12250	1.0
209.09732	4.8
209.13239	9.3
210.10390	1.2
210.13797	1.2
211.11177	31.9
212.11537	2.4
213.12706	1.7
215.08566	1.1
216.09398	0.8
217.10181	2.2
218.10925	1.8
219.08192	1.1
219.11624	4.6
220.08864	1.3
220.12561	1.5
221.09723	5.0
221.13263	7.8
222.10397	16.7
222.13593	0.8
223.11182	6.2
223.14803	1.7
224.11902	0.9
225.12759	6.8
227.14168	0.8
229.10194	1.4
229.25764	0.7
230.10902	1.8
231.11687	3.1
232.12494	1.5
233.09676	3.8
233.13239	3.7
234.10376	2.5
234.13976	1.5
235.11206	14.8
235.14812	4.9
236.11873	1.8
237.12750	100.0
238.13054	7.4
239.14236	1.0
243.11665	2.6
244.12390	2.3
245.09424	0.8
245.13351	3.4
246.10545	1.2
246.13937	2.4
247.11156	7.4
247.14806	4.4
248.11928	7.1
248.15602	1.3
249.12817	5.4
249.16370	5.1
251.14331	5.9
257.13199	2.0
258.14001	2.1
259.11234	0.9
259.14828	4.0
260.11969	1.5
260.15469	1.8
261.12860	5.6
261.16364	3.7
262.13477	5.1
263.14331	26.6
263.17856	2.9
264.14728	2.0
265.16055	0.9
271.14777	1.4
273.12988	1.2
273.16385	5.2
274.13565	1.4
275.14334	7.2
275.17960	2.6
276.15134	7.0
276.18097	1.1
277.15866	17.4
278.16251	2.0
283.14905	0.7
285.16196	1.2
287.14371	2.6
287.17789	1.4
288.15079	1.7
289.15866	9.3
289.19275	1.5
290.16586	3.3
291.14313	1.0
291.17426	29.7
292.17850	2.9
293.18918	1.8
299.14484	0.9
299.17941	2.3
301.15967	1.5
302.16608	1.4
303.17477	2.6
303.20612	0.8
313.19467	1.5
314.20047	0.8
315.17349	1.9
315.20862	0.8
317.19083	7.1
318.19293	1.1
319.17206	0.8
329.19022	1.4
331.20480	1.9
332.20950	0.7
335.19971	1.2
343.20584	1.1
357.22168	1.1
367.24011	1.3
385.25446	7.6
386.25641	0.8
389.25177	1.1
395.23648	4.3
396.23825	0.7
403.26596	1.4
413.24731	22.1
414.25156	2.7
431.25833	56.8
432.26233	7.4
444.87280	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.3
55.05505	0.9
65.03938	0.2
67.05490	1.3
67.98206	0.2
69.03430	1.9
69.07076	1.0
69.79755	0.9
71.98232	0.2
79.05486	2.3
81.07050	1.5
83.05002	0.3
83.08630	0.3
87.04472	0.3
91.05478	4.3
93.07038	2.9
95.04964	0.8
95.08599	1.9
97.06517	0.3
105.07032	5.6
106.07284	0.2
107.04997	0.2
107.08585	6.6
107.09281	0.3
109.06524	0.7
109.10138	0.7
111.04456	0.3
111.08041	0.2
113.05981	0.2
115.05411	0.9
116.06212	0.6
117.07017	2.6
119.08579	6.4
121.06510	1.1
121.10180	1.4
123.04417	0.2
123.08066	0.2
128.06195	1.6
129.07007	2.7
130.07767	0.4
131.08560	7.2
132.08934	0.4
133.06496	0.4
133.10121	4.2
135.08041	0.6
135.11728	0.4
141.06970	1.9
142.07784	2.1
143.08557	5.5
144.09290	0.8
145.06471	0.7
145.10118	3.1
146.07280	0.5
146.10439	0.2
147.08057	0.8
147.11671	1.4
148.97820	0.2
149.09628	0.3
152.57945	0.2
153.07014	0.7
154.07800	0.9
155.08548	13.9
156.09348	2.3
157.10110	4.0
158.07268	0.2
158.10876	1.2
159.08038	3.7
159.11702	2.6
160.08737	0.5
161.09624	6.3
161.13243	0.2
165.06975	1.0
166.07797	0.6
167.08549	1.5
168.09354	0.9
169.10126	5.2
170.10768	0.7
171.08078	1.0
171.11682	3.3
172.08815	0.5
173.09679	1.3
173.13258	6.6
174.13820	0.4
175.11177	1.6
177.09109	0.7
178.07846	0.4
179.08562	1.7
179.10680	0.3
180.09286	1.0
181.10110	2.3
182.10881	1.5
183.08060	1.0
183.11674	1.9
185.09612	1.7
185.13309	0.8
187.07599	1.2
187.11186	1.7
187.14796	0.4
189.09073	1.0
191.08669	0.3
192.09314	0.7
193.10088	2.0
194.10953	1.5
195.08081	0.3
195.11678	4.0
196.08899	0.3
196.12419	2.1
197.09625	1.1
197.13229	3.6
198.10423	0.4
198.13972	0.3
199.11211	0.8
199.14850	0.7
201.09152	0.6
201.12749	0.5
202.07889	0.3
203.10707	1.1
205.08542	0.8
205.10231	1.1
206.10890	0.9
207.08121	0.3
207.11726	2.4
208.08804	0.6
208.12491	1.0
209.09665	0.7
209.13260	3.6
210.10335	0.2
210.13995	1.6
211.07683	0.3
211.11261	1.5
211.14809	13.4
212.08389	0.2
212.12140	0.2
212.15540	3.8
213.09090	0.2
213.12724	1.9
213.16115	1.1
214.13084	0.2
215.08638	0.3
215.10666	0.2
216.09361	0.3
217.10065	0.4
218.10854	0.5
219.10132	0.2
219.11754	1.7
220.12480	0.7
221.09613	0.4
221.13217	1.7
222.10368	0.4
222.13803	0.2
223.09119	0.4
223.11194	4.7
223.14693	2.3
224.11772	0.4
224.15576	0.6
225.12717	1.0
225.16335	2.4
226.09886	0.7
226.16664	0.3
227.10678	0.5
227.14371	0.3
229.10072	0.4
229.12146	0.3
230.10875	0.7
231.11707	1.0
232.12390	0.8
233.09726	0.3
233.13309	1.1
234.13913	0.5
235.11183	0.7
235.14833	0.8
236.11800	0.2
236.15660	0.5
237.12834	0.9
237.16412	0.8
239.10684	0.7
239.14354	0.2
241.12230	2.7
242.10793	0.2
243.11697	1.0
244.12502	0.8
245.13333	1.7
246.13994	0.7
247.11186	0.7
247.14832	1.1
248.11919	0.3
248.15393	0.2
249.12837	0.5
249.16379	0.8
251.14365	0.6
253.12228	0.5
253.15857	0.3
256.12463	0.5
257.13223	0.8
258.13947	1.0
259.11060	0.3
259.15036	1.4
260.12131	0.2
260.15643	0.7
261.12775	0.5
261.16440	1.0
262.13354	0.3
262.17050	0.2
263.14395	0.7
263.18054	0.7
265.15952	0.5
267.11569	0.2
269.13287	0.4
270.14053	0.2
271.15076	1.0
272.11960	0.3
272.15378	0.3
273.12701	0.6
273.16360	1.1
274.13641	0.3
274.17123	0.6
275.14371	0.7
275.17969	1.9
276.18719	0.7
277.15884	0.5
277.19348	0.2
279.13815	0.2
279.21027	0.4
281.13177	0.4
282.13925	0.4
283.14816	0.8
284.15735	0.4
285.12921	0.3
285.16376	0.7
286.13550	0.3
286.17160	0.4
287.14215	0.7
287.17914	0.6
288.18695	0.3
289.15799	0.4
289.19461	0.5
291.13715	0.7
291.17447	0.7
291.20938	0.4
293.15573	0.4
296.15576	0.3
297.16391	0.6
298.16870	0.2
299.14676	0.4
299.17923	1.3
300.18668	0.5
301.15744	0.5
301.19485	0.7
303.17648	0.3
303.21091	0.9
305.15387	0.8
305.19055	0.5
308.15775	0.3
309.12167	0.3
311.17773	0.4
312.18747	0.2
313.15970	0.4
313.19458	0.5
314.20303	0.7
315.17346	0.5
315.21173	1.1
316.21646	0.2
317.19086	0.6
319.17007	0.4
319.20300	0.9
323.17487	0.3
324.14789	0.3
325.15720	0.5
325.19299	0.4
327.13635	0.2
327.17349	0.3
329.19073	0.5
333.18549	0.3
333.22141	0.5
337.19354	0.3
339.17465	0.8
340.18317	0.3
343.17023	0.5
343.24261	0.2
345.18625	0.3
351.17496	0.3
353.18756	0.2
353.22641	0.5
355.20584	0.4
357.18311	1.1
359.20126	0.5
361.17999	0.4
365.19272	0.6
367.24338	0.5
369.18362	0.3
370.23032	0.4
371.19766	0.3
371.23807	1.6
372.23492	0.2
373.21530	0.5
375.19525	0.7
377.22690	0.4
380.21381	0.7
383.20020	0.6
384.20663	0.6
385.21283	0.2
385.25397	2.0
387.23166	0.3
388.24164	0.9
389.20029	0.3
389.24747	5.4
390.25116	0.5
395.23697	2.9
396.24274	0.4
398.22351	0.8
401.21051	0.3
402.21527	0.2
403.26367	0.9
413.24738	23.1
414.20105	0.3
414.25092	2.3
416.23456	0.2
431.25797	100.0
432.26147	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01865	0.2
55.05522	1.0
57.03447	0.2
57.07056	0.2
65.03938	0.7
67.05506	1.7
69.02227	0.7
69.02653	1.3
69.03430	1.7
69.07071	0.4
70.33022	0.2
79.05484	2.3
81.07061	2.0
83.04977	0.4
83.08645	0.2
91.05482	5.3
93.07040	2.6
95.04962	1.3
95.08616	2.0
98.22618	0.5
102.35371	0.2
103.05474	0.6
105.07031	6.4
107.04879	0.2
107.08596	5.8
107.09284	0.4
108.08906	0.3
109.06516	1.0
109.10155	0.9
111.04509	0.2
111.08006	0.2
113.06071	0.2
115.05480	0.9
116.06227	0.6
117.07032	3.3
119.06120	0.2
119.08581	6.5
120.08942	0.2
121.06528	1.1
121.10175	1.4
123.04467	0.3
123.08137	0.3
123.11694	0.2
125.05965	0.3
125.65471	0.2
128.06210	1.6
128.89853	0.2
129.07022	2.6
130.07774	0.2
131.04944	0.2
131.08569	7.4
131.13457	0.2
131.67607	0.2
132.08929	0.3
133.06509	0.5
133.10141	4.2
135.08073	0.7
135.11707	0.4
137.05975	0.4
141.06984	1.8
142.07774	1.9
143.08571	6.6
144.09389	1.1
145.06467	0.7
145.10127	3.8
146.07259	0.4
147.08055	0.8
147.11655	1.2
149.09615	0.3
151.07561	0.2
153.05690	0.2
153.07027	1.1
154.07776	0.7
155.08554	14.6
156.09335	2.4
157.06503	0.3
157.10139	4.2
158.07321	0.5
158.10982	1.1
158.71776	0.2
159.08072	3.8
159.11690	2.4
160.08820	0.6
161.09618	6.4
162.09895	0.3
163.07802	0.2
165.07016	1.3
166.07758	0.3
167.08563	2.1
168.09364	0.9
169.10132	4.9
170.10863	0.9
171.08092	1.3
171.11711	3.5
172.08830	0.4
172.12270	0.2
173.09685	1.2
173.13261	6.9
174.13818	0.3
175.11166	1.7
175.14865	0.4
177.09198	0.3
178.07867	0.6
179.08533	2.0
179.10735	0.4
180.09349	1.1
181.10129	3.0
182.07399	0.2
182.10954	1.3
183.08070	1.1
183.11690	2.3
184.08910	0.2
184.12379	0.3
185.09612	1.7
185.13297	0.7
187.07579	1.1
187.11177	1.3
187.14827	0.4
189.09126	0.7
189.12680	0.3
191.08577	0.2
192.09363	1.0
193.10130	2.4
194.10835	1.6
195.11676	4.0
196.08824	0.4
196.12445	2.3
197.08043	0.3
197.09644	1.0
197.13263	4.5
198.10420	0.6
198.13809	0.3
199.11237	0.9
199.14897	0.8
201.09068	0.5
201.12766	0.6
201.77061	0.2
203.08777	0.5
203.10721	0.9
204.09319	0.5
205.08565	0.8
205.10193	1.0
205.11884	0.2
206.10938	0.8
207.10043	0.3
207.11716	2.3
208.08907	0.4
208.12486	1.2
209.09793	1.1
209.13255	3.6
210.10432	0.4
210.14024	1.7
211.07532	0.5
211.11258	1.1
211.14818	13.7
212.15504	3.3
213.09187	0.2
213.12741	2.2
213.16333	0.8
215.08659	0.5
215.10719	0.3
216.09415	0.2
216.11467	0.5
217.10188	0.7
218.10855	0.5
219.09979	0.3
219.11749	1.5
220.12410	0.9
221.09814	0.4
221.13306	1.6
223.11174	5.2
223.14684	2.0
224.11624	0.6
224.15474	0.7
225.09033	0.3
225.12779	0.9
225.16394	1.7
226.09953	0.9
227.10660	0.6
229.10191	0.6
229.12201	0.2
230.10924	0.7
231.11703	1.5
232.12541	0.7
233.09703	0.2
233.13281	1.3
234.14114	0.4
235.11111	0.7
235.14819	1.0
236.11958	0.3
236.15553	0.5
237.12749	0.7
237.16377	1.0
239.10770	0.5
239.14333	0.4
241.12248	2.8
243.11696	0.8
244.12492	0.8
245.13414	1.8
246.10428	0.4
246.13992	0.6
247.11136	0.4
247.15002	1.2
248.11853	0.5
248.15553	0.4
249.12674	0.4
249.16350	0.7
251.10828	0.2
251.14314	0.7
253.09966	0.2
253.12372	0.4
255.14003	0.3
256.12341	0.4
257.13214	0.9
258.14078	0.7
259.10971	0.3
259.15024	1.4
260.11935	0.4
260.15567	0.7
261.12860	0.7
261.16403	0.9
262.13614	0.3
262.17194	0.3
263.14355	0.8
263.17929	0.5
265.12280	0.3
265.15942	0.2
267.11728	0.2
269.13205	0.6
270.14044	0.4
271.14853	0.8
272.12109	0.2
272.15479	0.4
273.12918	0.5
273.16382	1.4
274.17151	0.7
275.10907	0.2
275.14227	0.7
275.17981	1.4
276.18802	0.3
277.15854	0.7
277.19269	0.2
281.13058	0.4
282.13937	0.4
283.14777	0.6
284.15567	0.5
285.16406	0.5
286.13483	0.4
286.17148	0.5
287.14252	0.7
287.17960	0.8
288.18549	0.4
289.16156	0.3
289.19553	0.7
290.20029	0.4
291.13937	0.5
291.17496	0.7
291.21063	0.3
293.15598	0.5
295.14539	0.2
296.15579	0.3
297.16373	0.7
298.17218	0.4
299.14444	0.4
299.17874	1.0
300.18512	0.5
301.15814	1.0
301.19498	0.8
303.17633	0.3
303.21140	0.6
305.15375	0.9
305.18872	0.5
308.15332	0.3
309.16080	0.2
311.17813	0.7
313.15933	0.3
313.19382	0.4
314.20242	0.6
315.17456	0.6
315.21158	0.9
316.21661	0.3
317.18997	0.5
319.17087	0.5
319.20554	0.9
321.16373	0.3
323.17862	0.4
324.15054	0.3
324.18686	0.3
325.15869	0.4
325.19592	0.4
326.20016	0.2
327.17542	0.4
327.21198	0.5
329.18948	0.4
333.22214	0.6
337.19623	0.5
339.17386	0.6
339.21158	0.3
341.18924	0.3
343.16901	0.7
343.20532	0.4
343.24237	0.4
351.17178	0.3
353.18564	0.3
353.22696	0.5
355.20615	0.5
357.18451	1.2
358.19040	0.3
360.20490	0.2
361.18002	0.7
365.19116	0.7
367.24158	0.7
369.18439	0.5
369.22223	0.3
371.23795	2.0
373.21664	0.6
375.19589	0.6
377.22601	0.3
379.19601	0.2
380.21341	0.4
383.19992	0.8
384.20609	0.3
385.25284	1.7
388.23993	0.8
389.20065	0.3
389.24789	4.9
390.25058	0.8
395.23688	3.5
396.24283	0.3
398.22491	0.9
401.21140	0.5
403.26273	0.8
413.24753	23.0
414.25122	3.1
416.23633	0.3
431.25821	100.0
432.26190	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
53.77878	0.6
55.02196	0.6
55.05513	4.8
55.39295	0.7
57.07076	1.0
60.62379	0.6
65.41375	0.6
67.05499	4.3
69.03432	1.3
69.07055	2.2
71.04984	1.6
79.05483	2.8
81.07060	4.4
81.55437	0.6
83.04987	8.9
83.08596	1.2
87.19183	0.7
91.05470	5.2
93.07038	8.7
95.04953	2.6
95.08609	10.1
97.06528	1.8
99.04429	0.9
103.05437	0.7
104.50713	0.6
105.07024	6.1
107.08598	4.7
109.06549	0.8
109.10164	2.8
111.04436	4.1
111.08064	3.0
115.05492	0.8
117.07022	3.2
119.08585	6.5
121.06483	2.7
121.10136	3.0
123.08051	1.7
123.11700	1.2
128.06215	1.6
129.06972	2.9
131.08565	4.2
133.10098	3.6
135.08075	1.6
135.11688	1.5
137.09583	0.9
139.07536	1.0
141.06972	1.7
141.09073	0.7
142.07791	3.3
143.08565	4.2
144.09264	1.1
145.06503	1.0
145.10126	5.0
147.08035	1.9
147.11626	1.9
149.09630	1.9
151.07529	1.2
153.06924	1.1
154.07800	1.4
155.08528	8.2
156.09314	1.8
157.06557	0.9
157.10126	3.7
158.07292	1.0
159.08133	1.1
159.11668	4.5
161.09581	1.7
161.13228	0.7
165.06952	1.0
167.07120	1.6
167.08566	2.1
168.09340	0.9
169.10129	5.0
170.10727	1.0
171.07996	1.5
171.11673	2.5
172.08812	2.7
173.09589	2.0
173.13213	1.9
174.10248	0.8
179.08534	2.5
180.09334	1.2
181.10112	2.6
182.10855	1.3
183.11659	4.4
185.09627	10.7
185.13269	1.2
186.10101	1.2
187.11157	7.0
189.12758	1.2
191.22357	0.7
192.09406	1.6
193.10088	2.6
194.10904	1.5
195.06471	2.1
195.08041	1.7
195.11664	3.0
196.12491	0.7
197.09627	1.3
197.13266	2.5
198.10307	0.7
199.11256	1.3
199.14764	0.8
204.09378	1.0
205.10107	1.9
205.12070	0.9
206.10931	2.3
207.11714	6.0
208.12357	1.3
209.09613	2.3
209.13263	5.1
210.10291	1.8
210.65640	0.8
211.11108	0.9
211.14789	1.3
212.11964	0.9
213.12714	1.7
217.10210	1.1
217.12131	0.8
218.10706	1.0
219.11713	3.1
220.12436	1.4
221.09743	1.1
221.13330	5.1
222.10397	2.2
223.11147	3.2
223.14723	1.0
224.11989	1.2
225.12767	9.5
226.13190	1.3
227.14371	1.7
231.11603	1.0
232.12427	1.3
233.13219	3.3
234.10443	0.8
234.14067	0.8
235.11221	1.4
235.14795	2.0
236.11899	2.2
237.12727	10.8
237.16347	0.9
238.13293	1.5
239.14307	1.8
243.11595	1.1
244.12395	1.1
245.13376	1.0
246.14011	1.3
247.11058	0.9
247.14839	3.0
248.15549	1.1
249.12648	1.8
249.16362	2.1
251.14311	2.7
257.13217	1.0
259.14771	1.5
260.12036	0.9
261.12805	1.8
261.16504	1.4
262.13724	1.1
263.14316	2.4
263.17917	1.7
265.15869	1.2
271.14850	1.3
273.12823	1.2
273.16248	1.5
274.13495	1.2
275.14328	2.8
275.17868	1.0
277.15845	2.8
287.14392	1.0
289.15756	1.9
289.19116	1.4
290.16483	1.6
291.17474	3.4
291.20551	0.7
292.17926	1.5
293.18732	0.8
302.16656	0.8
303.17422	2.1
304.18338	1.0
305.18997	1.4
314.20343	0.9
317.18854	4.8
319.20462	1.4
321.21988	1.1
329.18735	0.8
331.20554	0.9
332.21246	3.1
333.21756	0.9
345.22244	0.8
413.24588	5.1
431.25754	100.0
432.26141	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
55.05507	7.6
57.03447	1.3
62.59792	1.1
65.03941	1.2
67.05506	9.2
69.03423	2.7
69.07077	5.2
71.04996	1.3
79.05497	6.6
81.07071	6.5
83.04967	8.0
91.05472	8.9
93.07044	11.4
95.04982	3.2
95.08603	16.2
97.06525	2.3
105.04531	1.1
105.07045	13.7
106.82821	1.1
107.04939	1.4
107.08585	4.9
108.32355	1.0
109.06543	1.9
109.10158	3.7
111.04438	4.0
111.08047	5.0
115.05500	1.6
117.07012	7.4
117.39616	0.9
119.08577	13.3
121.06509	3.6
121.10147	4.7
123.08087	4.4
125.06013	1.4
128.06229	3.0
129.07005	7.5
130.07802	2.4
131.08548	11.7
133.06494	1.3
133.10121	6.1
135.08054	4.4
135.11678	1.8
137.09557	1.0
139.07539	3.1
141.06998	2.2
142.07771	9.6
143.08577	8.4
144.09335	9.6
145.10112	8.8
147.08011	1.9
147.11703	4.1
149.02100	3.7
149.09549	1.3
151.07553	5.5
153.06967	2.5
154.07732	1.9
155.08577	8.0
156.09300	1.9
157.10123	13.6
159.08022	2.0
159.11694	27.5
160.12036	1.6
161.09634	2.8
161.13237	1.4
163.11177	1.2
165.06981	1.8
165.09126	1.2
166.07779	1.3
166.59898	1.1
167.07063	1.9
167.08554	2.8
168.09294	2.0
169.10110	9.2
170.10732	1.5
171.08076	10.1
171.11729	5.7
172.08807	2.4
173.09637	5.3
173.13248	2.4
175.11208	1.7
177.09117	1.2
177.12823	1.2
179.08536	5.7
180.09258	2.1
181.10091	5.4
182.10974	1.6
183.08070	2.4
183.11705	6.0
184.08813	1.7
185.09639	9.3
185.13254	2.2
186.10362	1.3
187.11182	24.6
191.08539	1.5
191.10641	1.8
192.09413	4.4
193.10110	7.7
194.10892	3.1
195.08072	2.3
195.11693	5.7
196.12389	1.6
197.09702	2.5
197.13284	3.9
199.11192	4.9
199.14709	1.5
201.12747	9.1
205.10168	3.8
205.12234	1.3
206.10922	4.9
207.08153	1.3
207.11705	8.8
208.12488	1.8
209.09618	3.4
209.13257	6.0
210.10420	2.2
210.13806	1.1
211.11169	4.1
211.14801	2.0
213.12781	5.0
216.09390	1.3
217.10156	2.3
218.10970	1.3
219.08179	1.4
219.11650	6.6
220.08798	1.1
220.12469	2.6
221.09566	2.1
221.13200	7.9
222.10352	3.4
223.11172	4.4
223.14697	2.0
224.12068	1.5
225.12718	7.8
227.14308	4.4
229.10092	2.2
230.10959	1.6
231.11684	3.7
231.13756	1.3
232.12378	1.5
233.09717	2.4
233.13208	5.1
234.10428	1.3
234.13965	2.5
235.11124	6.8
235.14839	4.3
236.11919	2.8
237.12761	8.4
239.14291	4.4
243.11670	5.0
244.12424	2.9
245.09592	1.8
245.13248	4.7
246.14073	1.4
247.11217	3.1
247.14857	5.5
248.11969	1.7
248.15718	1.6
249.12674	3.4
249.16411	3.0
250.13367	1.4
251.14323	6.5
253.15775	1.4
256.12573	1.4
257.13239	3.2
258.13971	3.3
259.14832	3.6
260.12030	2.0
260.15302	1.7
261.12711	4.9
261.16507	2.7
262.13354	2.0
263.14349	3.9
263.17844	1.7
265.19684	1.5
270.14108	1.3
271.14917	2.5
273.12833	1.6
273.16388	4.1
274.17181	3.4
275.14551	5.0
275.17853	4.5
276.14975	3.4
277.15842	6.5
279.17490	1.6
284.15637	2.4
287.14261	1.8
287.17926	3.0
289.15881	3.7
289.19272	2.8
290.16724	1.7
291.17416	9.5
292.18161	3.8
299.17834	5.8
300.18497	1.9
301.16052	1.4
301.19446	3.9
303.17490	2.3
303.21133	1.2
304.18228	1.3
305.18848	2.7
305.28116	2.4
313.19507	2.0
314.20236	4.3
315.21011	1.8
317.18976	8.8
318.19577	1.2
319.20740	2.2
321.22192	1.5
324.64294	1.1
332.21384	4.3
343.20920	1.3
367.24295	1.5
375.19873	1.3
385.25287	4.0
389.21002	2.4
395.23709	4.7
403.26331	4.3
413.24759	14.7
414.25024	1.8
431.25748	100.0
431.31290	30.2
432.26080	12.8
432.31564	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2944
Annotation	Laurebiphenyl
Peak:m/z	Relative Intensity
53.03937	0.4
55.01888	0.3
55.05508	2.9
55.83321	0.2
57.07063	0.8
58.88375	0.2
63.10334	0.2
63.25219	0.2
65.03901	0.2
67.05501	3.1
69.03414	0.5
69.07066	1.7
69.69598	0.7
69.70000	0.4
71.04991	0.3
79.05493	2.1
81.07054	3.2
83.04483	0.3
83.04978	5.0
83.08603	0.3
91.05473	3.1
93.06459	0.4
93.07039	5.6
93.16868	0.2
95.04952	0.9
95.08604	7.6
97.06524	0.5
97.10117	0.2
98.22584	0.2
99.04412	0.2
105.06362	0.4
105.07024	3.6
106.66451	0.2
107.08579	3.3
109.06518	0.6
109.10149	2.0
111.04436	2.9
111.08081	2.9
112.08333	0.2
113.06017	0.2
115.05414	0.5
117.07041	1.2
119.08578	3.8
121.06487	0.9
121.10132	1.9
123.08070	1.2
123.11699	1.0
125.05987	0.4
125.09630	0.3
128.06213	1.5
129.06995	3.3
131.08569	2.3
133.10120	2.7
135.08061	0.6
135.11676	1.1
137.06021	0.2
137.09627	0.3
139.07549	1.3
141.06984	1.8
141.09131	0.4
142.07758	1.9
143.08551	4.2
144.09097	0.3
144.17442	0.2
145.10117	2.7
147.08011	1.1
147.11699	1.4
149.09631	0.4
149.13290	0.5
151.07529	0.3
153.07031	1.1
154.07747	0.6
155.08537	3.3
156.09291	0.8
157.10126	3.1
159.08020	0.5
159.11699	1.5
160.08774	0.3
161.09616	1.3
161.13281	0.8
163.11121	0.4
165.05661	0.4
165.06964	2.1
166.07756	1.3
167.07121	0.4
167.08527	2.6
168.09296	0.7
169.10109	3.4
170.10886	0.4
171.11679	3.6
172.08804	0.3
172.12384	0.3
173.09669	0.5
173.13280	1.2
175.11171	1.2
175.14809	0.2
178.07785	0.8
179.08545	4.0
180.09319	1.8
181.10109	7.9
181.11754	0.4
182.10872	1.4
183.11684	5.3
184.12328	0.3
185.13248	4.3
186.10471	0.2
186.13632	0.2
187.11221	0.4
187.14819	0.6
189.12752	0.9
191.08559	0.9
192.09314	1.3
193.10110	6.2
193.68611	0.2
194.10873	3.0
195.11679	7.9
196.12361	1.8
197.13222	1.8
198.13800	0.3
199.11253	0.4
199.14793	0.8
201.12772	0.4
204.09229	0.5
205.10146	1.8
206.10887	1.7
207.11694	5.2
207.13596	0.3
208.12363	1.2
209.13228	3.6
210.13907	0.5
211.14830	1.4
212.15311	0.2
213.12773	0.2
213.16388	0.6
215.14320	0.5
217.10123	0.5
218.10924	0.9
219.11688	3.5
220.12411	2.3
221.13229	5.4
221.15324	0.4
222.13965	2.7
223.14789	3.5
224.15442	0.9
225.16364	2.5
227.14401	0.4
231.11722	0.8
232.12506	0.8
233.13240	3.9
233.15359	0.4
234.14009	1.6
235.14818	5.6
236.15532	1.0
237.16364	16.9
238.17015	2.0
239.14337	0.3
239.18019	1.0
245.13237	0.4
246.14058	0.8
247.14832	3.0
248.15570	1.4
249.16367	4.2
250.17004	0.6
251.17883	1.8
255.17500	0.4
259.14780	1.0
260.15613	0.8
261.16400	3.1
262.17108	0.9
263.14636	0.3
263.17902	3.7
264.18384	0.5
265.16434	0.2
265.19437	1.0
271.14691	0.3
273.16306	0.8
274.17004	1.0
275.17929	2.2
276.18625	1.0
277.19464	3.7
278.20044	0.8
279.20993	0.3
283.14890	0.2
283.20529	0.3
287.17932	0.6
288.18637	0.3
289.19485	3.2
290.20099	1.3
291.21060	3.1
292.21759	0.6
293.22650	0.7
299.17947	0.3
301.19626	0.3
302.20267	0.4
303.21036	1.0
304.21811	0.4
305.22519	1.6
307.20660	0.5
317.19064	0.3
317.22586	3.0
318.23190	0.3
319.24219	0.7
320.24988	0.6
321.21991	0.3
321.25583	0.4
329.22485	0.5
331.24185	0.6
332.24963	2.5
333.25558	0.8
335.23666	0.8
349.25122	0.4
357.22122	0.4
373.21451	1.1
375.23230	1.4
376.23492	0.3
385.28741	0.5
388.23965	0.9
389.24731	1.1
403.30084	0.4
413.28439	1.3
431.29434	100.0
432.29773	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2946
Annotation	Laurebiphenyl
Peak:m/z	Relative Intensity
53.03936	1.0
55.01871	0.9
55.05506	4.1
56.99145	0.3
57.03434	0.5
57.07058	1.1
57.07318	0.3
62.56137	0.3
65.03932	0.5
67.05169	0.6
67.05502	6.5
69.03416	1.1
69.07059	3.5
71.04976	0.6
71.08611	0.3
77.03916	0.4
79.05486	6.5
80.73651	0.3
81.07053	9.8
82.07379	0.4
83.04971	5.5
83.08624	1.8
85.06519	0.3
91.05470	8.6
92.05779	0.4
93.07037	10.5
95.04962	2.7
95.08601	13.1
97.06530	1.7
97.10197	0.4
100.71412	0.3
103.05466	0.6
105.07027	13.4
107.04971	0.8
107.08592	9.0
109.06519	2.5
109.10140	4.6
111.04440	2.2
111.08058	2.6
113.06024	0.4
115.05452	1.1
116.06223	0.5
116.35150	0.3
117.07001	4.6
119.08568	14.5
121.06495	4.6
121.10139	6.4
123.08073	4.0
123.11700	2.1
125.09609	0.7
128.06187	2.9
129.07002	5.6
130.07787	1.0
131.04854	0.3
131.08559	9.7
133.06503	1.1
133.10120	9.1
135.08049	5.2
135.11674	1.9
136.23924	0.4
137.05943	0.5
137.09633	1.0
137.13179	0.3
139.07552	1.0
141.06972	2.8
141.09140	0.4
142.07773	4.0
143.08563	10.1
143.09669	0.6
144.09383	1.6
145.06482	1.9
145.10120	11.1
146.07288	0.5
147.08052	4.8
147.11676	4.8
148.12088	0.3
149.09589	2.5
149.13289	1.0
151.07549	0.3
151.11180	0.5
153.06946	1.5
154.07759	2.0
155.08542	7.0
156.09344	3.3
157.06546	0.4
157.10118	10.9
158.07263	0.9
158.10760	1.3
159.08058	5.7
159.11673	9.2
160.08771	1.2
160.12173	0.6
161.09624	7.1
161.13226	2.6
163.11183	1.5
163.14815	0.5
165.07034	1.9
165.09029	0.4
165.12776	0.4
166.07814	1.1
167.07149	0.5
167.08531	5.3
168.09360	1.8
169.07896	0.4
169.10117	11.1
170.10901	1.6
171.08046	1.3
171.11685	8.1
172.08789	1.5
172.12318	0.3
173.09612	6.6
173.10938	0.5
173.13232	6.2
173.14600	0.5
174.10315	1.1
175.11191	5.4
175.14835	1.1
177.12749	0.7
178.07790	0.7
179.08559	3.6
180.09256	1.6
181.10103	7.4
182.10890	3.5
183.08086	1.1
183.11697	8.1
184.08878	0.7
184.12260	0.6
185.09634	3.4
185.13235	7.9
185.14763	0.6
186.10376	1.3
186.13815	0.5
187.11169	5.3
187.14786	4.8
188.15236	0.4
189.12743	4.7
189.16376	0.8
191.08580	1.1
191.14313	0.7
192.09355	2.0
193.10112	6.7
194.10944	2.2
195.06471	0.4
195.11668	6.6
196.08835	0.3
196.12440	2.8
197.09669	1.5
197.13249	12.7
198.10388	1.1
198.13763	0.8
199.11168	3.2
199.14792	4.7
200.11931	0.6
200.15201	0.6
201.12729	9.3
201.16367	1.5
202.13245	0.7
203.08641	0.5
203.14296	4.0
204.09239	0.4
205.10178	2.7
205.12029	0.6
205.15874	0.6
206.10863	2.2
207.11694	6.9
208.12419	0.9
209.09796	0.6
209.13235	7.3
210.10388	0.4
210.13928	1.0
211.11238	1.4
211.14790	8.4
212.11984	0.7
212.15265	0.6
213.12749	5.4
213.16306	3.4
214.13293	0.6
214.16814	0.5
215.14301	8.6
215.16183	0.6
215.17813	0.6
216.14810	0.5
217.10188	1.0
217.12262	0.7
217.15880	1.9
218.10922	1.2
219.11732	4.9
219.13823	1.0
219.17456	0.5
220.12418	2.4
221.13234	7.0
221.15262	0.6
222.13956	1.6
223.11218	0.6
223.14745	4.8
223.16586	0.4
225.12817	1.7
225.16389	2.8
226.16890	0.4
227.14275	5.4
227.17891	0.5
228.14793	0.5
229.15855	5.9
230.16161	0.5
231.11676	1.4
231.13834	0.7
231.17410	2.6
232.12476	1.4
233.13223	5.7
233.15334	0.7
234.13942	1.6
235.11124	0.6
235.14781	8.3
236.15439	1.0
237.12822	0.5
237.16353	7.4
238.16965	0.7
239.14384	1.5
239.17949	1.7
241.15894	2.1
243.17450	0.9
245.13234	1.2
245.15582	0.5
246.13986	1.3
247.14792	4.7
248.15550	2.6
249.12669	0.5
249.16367	6.4
250.17017	1.1
251.14268	0.8
251.17946	1.9
253.15881	0.8
253.19505	0.8
255.17581	0.4
257.13220	0.4
257.19101	0.4
258.13980	0.4
259.14847	1.4
260.15564	0.7
261.13760	0.4
261.16394	3.4
262.17160	1.1
263.15002	0.6
263.17917	3.8
264.18561	0.6
265.16019	0.7
265.19495	0.8
266.16782	0.3
267.17490	0.9
269.18881	0.6
273.16351	1.3
274.17047	0.6
275.17862	3.7
276.18619	1.7
277.16321	0.5
277.19479	3.8
278.20004	0.6
279.17502	0.8
279.21146	0.6
281.19077	1.0
285.16287	0.6
287.17935	1.0
289.19440	4.4
290.16766	0.4
290.20209	0.9
291.17810	0.6
291.21033	15.4
292.21674	2.7
293.19260	0.6
293.22614	2.0
295.20554	1.1
301.19568	0.8
303.17783	0.5
303.20895	1.5
304.22000	0.7
305.19110	0.5
305.22745	0.9
307.20758	1.8
307.23917	0.5
308.21030	0.3
309.22079	1.6
315.20972	0.6
317.19125	0.7
317.22626	4.4
318.23230	0.7
319.20856	0.5
319.24219	1.3
321.22104	0.5
329.22452	0.5
331.24271	1.8
332.24933	4.4
333.25555	0.5
335.19980	0.6
335.23566	3.1
343.24457	0.4
349.25443	0.5
357.21939	0.7
357.25827	0.9
371.23715	0.6
373.21191	0.5
375.23032	1.4
375.26840	1.0
380.88821	0.3
385.28796	1.3
388.24023	0.7
389.24628	1.9
395.27271	0.5
403.29947	1.4
413.28397	6.4
414.28989	0.5
431.29456	100.0
432.29834	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2946
Annotation	Laurebiphenyl
Peak:m/z	Relative Intensity
53.03965	1.3
55.05508	6.6
57.07083	1.8
59.04999	1.0
63.05230	0.7
67.05506	12.2
69.03402	1.6
69.07071	5.0
69.07635	3.2
69.08064	3.1
71.04990	0.9
79.05500	6.3
79.08662	0.7
81.07062	11.2
83.04987	11.3
83.08620	2.5
91.05489	9.5
93.07044	13.3
95.04994	3.6
95.08605	18.6
96.08971	1.0
97.06531	4.6
97.10153	1.2
98.22652	1.5
98.23298	1.4
100.51225	0.7
105.07033	13.6
107.08595	11.7
109.06523	2.4
109.10158	8.6
111.04440	5.0
111.08079	4.1
113.06030	1.2
115.05432	1.0
117.07002	4.6
119.08574	12.5
121.06519	3.4
121.10142	5.9
123.08059	4.8
123.11726	1.7
125.09650	1.6
128.06253	2.3
129.07042	5.3
130.07854	1.2
131.08563	8.8
133.10143	11.5
133.11073	1.3
134.10501	0.7
135.08057	4.0
135.11667	3.7
137.05994	0.9
137.09625	1.7
139.07556	1.3
139.11157	1.2
141.07018	3.0
142.07805	3.2
143.08571	10.7
144.09351	1.7
145.06441	1.2
145.10143	12.4
147.08075	4.4
147.11700	7.1
149.09654	3.0
149.13278	1.9
149.39238	0.6
151.33197	0.7
153.05586	1.0
153.07018	2.0
154.07793	1.4
155.08548	7.2
156.09297	3.7
157.10136	12.0
158.10768	1.0
159.08046	3.7
159.11673	9.4
160.08839	1.4
161.09599	5.9
161.13251	3.7
163.11247	3.0
165.07033	2.4
165.12801	1.9
166.07765	0.8
167.07190	1.4
167.08621	4.1
168.09375	2.8
169.10139	12.4
170.10863	2.4
171.08110	1.0
171.11697	13.1
171.13075	0.9
173.09657	2.2
173.13248	7.1
175.11189	6.2
175.14862	1.5
177.12820	1.0
179.08524	5.7
180.09326	2.6
181.10139	6.7
182.10942	2.3
183.11678	16.3
183.13136	1.1
184.12410	2.0
185.09636	3.3
185.13264	10.5
187.09552	0.5
187.11182	13.8
187.12729	1.1
187.14879	2.9
189.12741	5.9
191.08549	1.4
191.14314	1.2
192.09406	2.8
193.10110	7.6
194.10886	3.1
195.11687	11.1
196.12422	3.4
197.09656	1.6
197.13251	10.1
198.14027	1.4
199.11188	3.8
199.14885	3.2
201.12730	8.3
201.16446	0.8
203.08501	1.4
203.14388	2.4
204.09343	1.3
205.10172	4.9
205.12039	1.0
206.10886	6.2
207.11700	13.0
207.13658	1.3
208.12451	4.4
209.09846	1.0
209.13260	12.5
210.10463	1.0
210.13843	2.0
211.14833	6.6
213.12756	5.8
213.16408	2.1
215.14397	2.5
217.10175	2.6
217.15845	1.5
218.10902	1.7
219.11671	8.1
219.13397	0.8
220.12537	5.9
221.13248	13.7
222.10463	1.3
222.14044	2.7
223.11273	1.7
223.14824	9.4
224.11940	1.0
224.15437	1.3
225.12859	2.4
225.16362	4.5
227.14447	3.4
229.15889	6.0
231.11710	3.2
231.17624	1.5
232.12334	3.6
233.13249	11.8
233.15344	1.2
234.13853	4.1
235.14822	14.8
236.11992	0.8
236.15610	2.2
237.12791	2.8
237.16383	7.2
238.16779	1.0
239.14359	3.2
239.17863	3.8
241.15942	2.4
243.11801	1.4
244.12541	1.5
245.13237	3.3
245.15523	0.9
246.14111	2.9
247.14830	8.2
248.12155	0.7
248.15643	4.9
249.12700	1.9
249.16380	15.0
249.18770	1.2
250.17010	2.5
251.14365	1.8
251.17891	5.2
252.18335	1.1
253.15877	3.6
255.17442	2.1
257.13177	1.5
258.14224	1.5
259.14969	3.4
260.15683	1.7
261.13452	1.1
261.16345	7.9
262.17166	3.3
262.87003	0.8
263.14664	1.3
263.18036	10.6
264.18478	1.5
265.13089	0.8
265.16055	2.8
265.19601	8.0
267.17575	1.6
269.19046	1.0
271.14713	1.5
273.16440	2.1
274.17145	2.0
275.17953	6.5
276.18695	2.3
277.15955	3.0
277.19565	8.3
278.20175	0.8
279.17563	3.8
279.20923	1.0
281.15671	1.2
281.19095	3.5
283.20724	3.0
285.16464	0.8
286.17178	0.8
287.14832	0.7
287.17960	1.8
288.18753	0.8
289.16339	1.1
289.19617	6.4
290.20261	2.3
291.17770	2.1
291.21027	22.9
292.21506	4.1
293.19119	2.7
293.22714	3.9
295.17072	1.8
295.20425	1.0
297.18506	1.1
301.19550	2.1
303.17926	0.8
303.21140	2.0
304.21942	1.2
305.15729	0.9
305.19006	3.3
305.22711	6.6
306.19629	0.8
307.17188	0.8
307.20605	2.5
309.22107	1.4
315.21259	2.2
317.19156	1.3
317.22549	6.8
318.23322	1.1
319.20752	1.1
319.24240	2.7
321.18738	0.8
321.22180	1.2
321.25870	1.4
323.20267	1.4
329.19141	1.0
329.22787	1.2
331.20572	1.1
331.24307	2.6
332.24875	7.5
333.22211	1.8
333.25757	1.4
335.23694	8.3
336.24185	1.2
339.21466	0.7
343.20544	1.6
343.24426	1.3
345.22137	1.3
347.20090	1.9
349.25381	1.7
357.22079	1.0
357.25885	1.2
361.21698	2.4
371.23627	1.7
375.23254	2.5
385.29153	1.4
389.24792	4.4
393.04846	0.8
395.27487	1.1
403.25729	1.0
403.30463	3.2
413.28564	10.9
414.28775	1.3
416.27002	1.8
431.29584	100.0
432.30066	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2943
Annotation	Laurebiphenyl
Peak:m/z	Relative Intensity
53.03942	0.6
55.01870	0.4
55.05508	4.9
57.03425	0.6
57.07071	1.1
59.04998	0.3
65.03948	0.7
67.05504	7.6
69.03432	1.2
69.07066	4.4
69.61344	1.7
69.66879	0.3
71.05013	0.7
77.03896	0.3
79.05488	4.7
81.06580	0.5
81.07056	8.4
83.04976	3.3
83.08597	1.5
85.06541	0.6
91.05476	6.3
92.47045	0.3
93.07040	9.8
93.07629	0.7
95.04968	3.0
95.08604	16.4
96.08936	0.4
96.64997	0.3
97.06544	2.2
97.10168	0.7
98.22614	0.3
103.05490	0.7
105.07027	9.5
107.08586	9.4
107.09280	0.6
109.02943	0.3
109.06519	2.0
109.10153	5.5
110.06992	0.3
111.04421	1.4
111.08076	4.3
113.06022	0.8
115.05447	0.8
116.06266	0.3
117.07004	2.0
119.08576	9.9
119.09441	0.5
120.08911	0.3
121.06509	2.2
121.10142	6.0
122.10445	0.3
122.99197	0.3
123.08072	5.7
123.11713	2.0
125.09624	2.3
128.06218	1.8
129.07004	2.9
130.07829	0.7
131.08566	5.2
133.06522	0.4
133.10127	6.3
135.08038	2.0
135.11694	3.8
137.05959	0.5
137.09630	1.2
137.13351	0.4
139.07593	1.0
141.07014	2.6
141.09123	0.7
142.07753	2.2
143.08553	6.7
144.09337	0.5
145.06467	0.8
145.10114	6.8
147.08058	2.3
147.11668	4.6
149.09618	2.3
149.13257	1.4
151.11133	0.7
153.07042	1.3
154.07762	1.0
155.07298	0.4
155.08537	7.2
156.09344	2.1
157.10121	7.6
159.08054	1.7
159.11671	5.6
160.08762	0.3
161.09618	4.4
161.10893	0.4
161.13216	3.0
163.11209	2.5
163.12413	0.4
163.14842	0.7
165.06985	2.8
165.12784	1.0
166.07785	1.4
167.08560	4.3
168.09381	2.4
169.06425	0.4
169.10120	8.9
170.10834	1.2
171.08092	0.8
171.11681	7.4
171.13052	0.4
172.08754	0.4
173.09663	1.3
173.13275	2.9
175.11205	2.2
175.14864	0.6
177.12769	1.2
178.07791	2.0
179.08545	5.2
180.09344	2.1
181.10110	9.4
182.10857	2.3
183.08160	0.9
183.11687	15.0
184.12233	0.9
185.09697	1.4
185.13252	5.6
187.11189	2.9
187.14783	1.8
189.12729	2.3
189.16391	0.4
191.08585	1.3
191.14377	0.7
192.09308	3.3
193.10124	9.3
194.10896	3.0
195.08163	0.5
195.11674	10.7
196.12338	1.8
197.09676	1.3
197.13248	6.3
198.13852	0.7
199.11224	1.6
199.14799	2.3
201.12753	2.5
201.16508	0.5
203.08684	0.6
203.14410	0.4
204.09377	0.8
205.10153	4.1
205.11981	0.6
206.10919	3.9
207.11688	12.2
208.12413	3.3
209.09752	0.9
209.13248	9.5
210.10445	0.9
210.13904	1.4
211.11198	3.4
211.14813	4.6
213.12769	1.3
213.16454	1.2
215.08549	0.4
215.14285	1.8
217.10162	1.2
217.15935	0.4
218.10916	1.5
219.11626	4.8
220.12411	3.3
221.09816	0.6
221.13257	10.2
222.10458	0.7
222.13977	2.7
223.11418	1.8
223.14799	7.6
223.16859	0.5
224.11958	0.8
224.15353	0.7
225.12851	2.4
225.16351	7.6
226.16788	0.5
227.14319	2.2
227.17990	0.9
229.15938	0.5
230.10878	0.6
231.11685	2.0
232.12439	1.8
233.13226	6.7
234.14024	3.0
235.11108	1.0
235.14795	15.0
236.11861	0.5
236.15422	1.9
237.12811	3.1
237.16344	9.1
238.13460	0.5
238.17154	1.0
239.14256	2.4
239.18079	1.1
241.15897	1.7
243.11906	0.5
243.17506	1.1
244.12538	0.7
245.13258	2.0
246.13974	2.0
247.11223	0.4
247.12285	0.5
247.14816	5.6
248.12102	0.5
248.15622	3.4
249.12802	0.9
249.16389	11.3
250.17041	1.1
251.14342	2.4
251.17940	4.0
252.18484	0.7
253.15868	5.9
253.19566	0.8
254.16296	0.7
255.17436	1.9
256.12619	0.3
257.13174	0.5
257.15622	0.5
257.18924	0.5
258.14059	0.7
259.14801	2.2
260.15656	1.2
261.12872	0.7
261.16440	4.3
262.13596	0.6
262.17169	1.2
263.14432	1.5
263.18030	7.7
264.15140	0.7
264.18539	0.6
265.15942	3.6
265.19412	2.2
267.17395	3.9
269.18939	1.8
272.15616	0.5
273.16388	1.7
274.16953	0.8
275.14700	0.6
275.17999	3.4
276.15320	0.4
276.18704	1.4
277.16006	1.8
277.19589	4.8
278.16718	0.5
278.20032	0.5
279.17505	2.6
279.20685	0.5
281.16327	0.4
281.18918	1.8
283.14563	0.6
283.20709	0.5
285.16525	0.5
286.17249	0.5
287.17926	1.0
288.18579	0.7
289.16037	0.9
289.19574	3.8
290.16867	0.6
290.20013	1.7
291.17651	2.1
291.21014	19.1
292.18536	0.6
292.21512	2.5
293.19083	2.3
293.22729	2.7
295.17307	0.6
295.20618	1.3
299.17947	0.7
301.16003	0.7
301.19583	1.2
302.20419	0.4
303.17505	0.7
303.21213	1.5
304.21729	0.6
305.19040	1.9
305.22690	1.4
307.17120	0.3
307.20526	7.6
307.24081	0.6
308.20871	0.4
309.22000	1.9
313.19470	0.6
314.20538	0.4
315.17639	0.7
315.21207	1.0
317.19012	0.9
317.22748	3.8
319.17096	0.5
319.20709	1.3
319.23730	1.5
321.18643	0.6
321.22229	2.1
327.21207	0.5
329.19092	0.7
329.22839	1.0
331.20715	0.6
331.24280	1.4
332.24881	2.7
333.22186	1.7
333.25888	0.8
335.20004	0.7
335.23660	7.9
336.24075	0.8
343.20535	0.8
343.24216	0.6
345.22076	0.7
347.20004	0.8
347.23849	0.6
349.25449	0.7
355.24396	0.4
357.22192	1.2
357.25812	1.1
359.23749	0.5
361.21548	0.7
361.25461	0.5
363.23312	0.4
371.23718	0.9
373.25461	0.6
375.22961	1.5
385.24756	0.4
385.29031	1.7
387.27109	0.5
388.24277	0.6
389.24432	2.2
389.29144	0.4
395.27402	0.8
401.24188	0.4
403.25629	0.5
403.30383	2.8
404.30731	0.4
413.28513	10.0
414.28845	0.7
416.27005	0.4
431.29584	100.0
432.29901	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2945
Annotation	Laurebiphenyl
Peak:m/z	Relative Intensity
53.03940	1.2
55.05507	4.5
57.07059	1.3
59.05002	0.8
65.03944	0.6
67.05505	9.1
69.03423	1.3
69.07068	3.1
69.11001	3.8
71.04974	0.8
71.08635	0.7
77.03958	0.6
79.05493	5.1
81.07050	8.7
82.88468	0.5
83.04979	2.0
83.08646	1.3
85.06505	0.4
88.71967	0.5
91.05476	8.1
93.07043	12.5
95.04964	1.9
95.08607	20.4
97.06533	2.7
97.10138	1.2
98.09689	0.6
103.05489	0.8
105.07024	12.6
107.04950	0.6
107.08587	11.2
109.06525	2.4
109.10152	6.6
109.91904	0.4
110.39801	0.4
111.04408	0.7
111.08080	3.0
112.99989	1.1
115.05473	0.8
117.06997	3.1
119.08580	15.9
119.09441	0.9
121.06527	3.0
121.10146	5.6
122.10510	0.6
123.08062	13.4
123.11704	2.2
124.08404	0.8
125.09641	2.1
128.06250	1.9
129.07031	2.4
130.07770	1.6
131.08583	5.9
133.10130	10.2
135.08073	3.0
135.11690	5.0
137.06001	0.7
137.09695	0.9
137.13239	1.5
139.07573	1.3
141.06956	1.6
141.09116	1.0
142.07811	3.2
143.08554	8.6
144.09242	0.8
145.10118	26.8
146.07286	0.7
146.10492	1.1
147.08084	3.2
147.11693	5.3
149.09624	1.7
149.13269	0.9
151.07585	1.1
153.06989	1.2
154.07773	0.8
155.08521	4.9
156.09343	4.4
157.10126	11.3
157.11443	0.8
158.10622	0.9
159.08099	1.1
159.11685	10.1
160.08846	0.8
161.09616	6.6
161.10881	0.6
161.13231	2.4
163.11177	2.8
165.05739	0.7
165.06929	2.2
166.07744	1.0
167.07054	2.6
167.08562	2.7
168.09311	3.2
169.02643	1.4
169.10118	14.5
170.10898	2.9
171.11674	9.0
172.08842	0.6
173.09644	0.9
173.13245	4.3
175.11156	3.4
175.14847	1.0
177.12733	0.6
178.07813	0.7
179.08539	5.2
179.10210	0.6
179.10704	0.6
180.09308	1.9
181.10103	6.5
182.10944	2.3
183.11679	19.9
184.12267	1.4
185.09673	0.8
185.13248	13.6
186.13606	0.8
187.11237	1.6
187.14809	1.0
189.12685	4.1
191.08533	1.1
192.09354	2.6
193.10135	7.6
193.11923	0.6
194.10863	4.1
195.11688	7.8
196.12408	1.9
197.13249	6.8
198.10184	0.5
198.13818	0.8
199.11182	1.3
199.14815	2.7
199.16473	0.6
201.12791	1.5
203.14380	1.2
205.10130	4.4
205.11980	0.7
206.10875	7.5
207.11687	12.3
207.13683	0.4
208.12418	4.8
209.09763	0.5
209.13235	12.0
210.13889	1.5
211.11102	0.9
211.14783	6.0
217.10133	0.9
217.15723	0.5
218.10876	1.5
219.11690	8.7
220.12440	8.0
221.13264	19.6
222.10446	0.6
222.13974	5.3
223.14793	14.0
224.15392	1.5
225.12805	1.0
225.16341	5.7
227.14314	0.7
231.11694	1.5
232.12451	2.3
233.13232	6.7
234.13994	7.1
235.14801	18.6
236.15494	3.0
237.12778	1.2
237.16368	12.6
238.17058	1.1
239.14262	1.3
239.17982	1.2
241.15900	0.9
243.11639	0.6
243.17462	1.1
245.13286	1.9
246.14008	1.9
247.14790	7.7
247.17102	0.7
248.15556	4.2
249.12975	1.1
249.16370	18.6
250.16751	2.2
251.17944	8.0
253.15913	2.0
253.19525	2.0
255.17392	3.8
255.35292	0.6
257.13254	0.9
257.18991	0.6
258.14160	0.7
259.14691	2.4
260.15649	1.7
261.12833	0.8
261.16425	4.1
262.17108	1.9
263.15076	0.9
263.17908	8.0
264.18594	0.8
265.15900	0.8
265.19562	1.4
267.17435	2.6
269.18991	4.4
271.14932	0.7
273.16351	1.2
275.14709	0.8
275.17871	5.1
276.15384	0.7
276.18661	1.8
277.16180	1.1
277.19501	4.5
278.20099	0.5
279.17319	1.0
281.18985	2.1
282.91275	0.5
287.17935	1.6
288.18564	1.0
289.16550	0.6
289.19504	3.3
290.20145	2.5
291.17758	1.2
291.21048	17.5
292.21631	2.6
293.19128	1.1
293.22443	0.7
295.17065	0.9
295.20566	0.6
297.16159	0.6
301.19348	0.8
302.16406	0.6
303.17514	1.0
303.21066	1.8
304.18051	0.5
305.19006	2.3
307.20529	3.5
308.20966	0.7
309.22086	2.9
317.19174	0.7
317.22574	6.9
318.23145	0.9
319.20575	6.0
320.20993	0.8
321.22058	1.1
327.21082	1.9
329.22736	0.5
330.19720	0.5
331.20538	1.0
331.24158	1.1
332.25125	2.1
333.22122	5.0
333.25729	0.7
335.20139	0.5
335.23654	13.1
336.24136	1.0
337.21695	0.8
345.22128	22.2
346.22488	2.4
347.23804	1.2
358.99936	0.5
361.21472	0.9
373.25412	0.9
375.26944	0.6
385.28769	1.1
403.30136	4.7
413.28503	7.4
413.33978	0.9
414.28845	0.6
431.29459	100.0
432.29752	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3157
Annotation	Homaxisterol B1
Peak:m/z	Relative Intensity
50.01585	0.2
51.02381	0.4
53.03940	1.8
55.01862	0.8
55.05512	4.4
55.14809	0.2
57.07085	1.2
59.04988	0.5
63.05094	0.2
65.03936	0.9
66.04708	0.4
67.05505	4.9
69.03414	0.4
69.07071	4.4
69.41806	1.0
69.42228	0.4
71.04977	0.7
77.03916	0.7
78.04695	0.4
79.05491	9.6
81.02971	0.4
81.03413	3.7
81.07055	11.4
82.07392	0.3
83.04983	2.2
83.08610	1.9
85.02895	0.3
85.06525	1.0
91.05470	5.0
92.02600	0.3
92.05781	0.2
93.03403	0.5
93.07042	13.6
94.04169	0.8
94.07383	0.2
95.04428	0.3
95.04971	2.3
95.08603	11.2
96.05747	2.3
96.08926	0.4
97.06552	1.0
97.10180	0.4
98.23336	0.4
99.04461	2.4
101.06019	2.0
103.05468	0.4
105.04515	0.6
105.07026	8.9
107.04962	0.6
107.08590	16.9
108.05714	0.6
108.08903	0.6
109.02875	0.7
109.06524	3.4
109.10145	5.8
110.10527	0.3
111.04453	0.2
111.08075	1.9
113.02323	0.4
113.05984	0.7
115.07565	0.4
117.07014	1.5
119.08578	13.4
120.08897	0.4
121.02859	0.6
121.06529	1.4
121.10139	16.7
122.03646	2.5
122.10503	0.5
123.08064	1.4
123.11718	2.5
124.05206	4.1
126.93118	0.2
127.07517	0.5
128.04675	0.8
128.06166	0.3
129.06964	0.6
129.09100	0.2
131.08557	3.4
133.06476	0.9
133.10124	10.3
134.10455	0.6
135.08051	3.3
135.11688	10.9
136.12012	0.5
136.19855	0.2
137.02330	1.2
137.06035	0.2
137.09578	0.9
137.13232	0.6
139.07536	6.7
141.01805	0.7
141.06963	0.5
141.09093	0.3
142.07806	0.6
143.08565	1.9
144.09331	0.5
145.10118	4.6
147.08051	1.6
147.11685	9.3
148.12025	0.4
149.09604	2.4
149.13234	2.8
151.03897	2.2
151.07524	0.4
151.11131	0.5
151.14861	0.3
152.04677	8.8
153.05075	0.5
153.09085	2.2
154.07736	0.2
155.08546	1.2
156.04156	1.5
156.09334	0.6
157.10147	2.4
159.08018	0.6
159.11684	4.1
160.08751	0.2
160.11996	0.3
161.09612	3.1
161.13242	4.0
162.13539	0.3
163.11197	4.7
163.14816	0.9
165.09094	0.8
165.12729	0.4
167.03409	0.3
167.07060	1.9
167.08421	0.4
167.10654	2.0
169.10107	1.0
171.08025	0.2
171.11679	1.9
173.09607	0.6
173.13235	2.1
175.11200	3.3
175.14825	2.7
176.11514	0.3
177.12752	4.8
177.16400	0.7
178.13033	0.3
179.08492	0.3
179.10666	1.5
180.04207	0.4
181.08583	0.7
181.10181	0.6
181.12225	6.3
182.12671	0.3
183.11726	1.0
184.03690	0.5
185.08070	1.3
185.09637	0.7
185.13254	2.1
187.11203	1.2
187.14841	1.8
189.09041	1.1
189.12732	2.5
189.16383	1.7
190.09807	0.3
191.14317	1.1
192.09247	0.3
193.10167	0.4
193.12251	1.5
193.15816	0.8
194.10956	0.2
195.06520	100.0
195.13733	5.6
196.06856	4.9
196.14221	0.3
197.13200	0.8
199.11243	0.4
199.14804	1.3
201.12669	0.6
201.16386	1.1
203.08672	0.2
203.10606	0.4
203.14304	1.5
203.18111	0.2
204.11456	1.5
205.08539	0.4
205.11987	0.3
205.15872	0.7
206.09352	0.3
207.11795	0.5
207.13774	5.2
208.14082	0.3
209.13243	0.8
209.15353	1.9
210.10498	0.2
211.14807	0.7
213.12794	0.4
213.16382	1.3
215.14319	0.5
215.17940	0.5
217.08450	0.4
217.15860	1.4
219.11627	0.4
219.13725	0.5
219.17366	0.5
221.13251	0.7
221.15292	3.3
223.11270	0.3
223.14944	0.4
223.16917	1.2
225.12753	0.8
227.14296	0.4
229.15746	0.3
231.10175	0.3
231.17508	1.4
232.10884	0.8
233.13261	0.4
233.15405	0.3
233.18877	0.4
235.13203	2.5
235.16852	3.3
237.12732	0.7
237.16400	0.5
237.18517	1.1
239.14346	0.3
239.18033	0.2
241.19473	0.2
247.14732	0.3
247.16978	0.5
249.11185	0.6
249.16318	0.4
249.18559	3.3
251.14128	0.3
251.17937	0.4
253.19577	0.3
259.14713	0.3
261.16241	0.3
263.12683	3.0
263.17831	0.4
275.20096	0.4
276.14749	0.2
277.15784	0.6
288.15091	0.2
289.15924	0.3
291.17368	0.6
291.20807	0.3
317.19019	0.5
339.23248	0.4
353.24847	0.5
359.27258	0.5
367.29880	0.4
377.28485	2.0
378.28519	0.4
382.17813	0.4
385.30856	0.5
389.19611	0.4
395.24100	0.4
395.29419	7.7
396.29736	1.1
399.17813	0.3
413.24725	0.6
413.30374	4.4
414.30661	0.6
431.20511	1.0
431.25739	6.4
431.31210	2.5
432.21143	0.2
432.26108	1.1
432.31351	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52507	1.5
53.03929	4.6
55.01874	2.3
55.05320	1.4
55.05518	15.3
57.03424	1.8
57.07064	3.7
58.74425	1.8
59.05007	1.9
65.03928	4.3
67.05511	40.6
68.05780	1.7
69.07068	10.5
69.30962	11.3
71.04984	2.1
79.05494	22.2
81.07061	60.3
83.04974	6.4
83.08625	5.8
85.06549	2.9
89.09888	2.0
91.05479	22.3
92.08205	1.7
93.07050	62.1
95.04960	5.7
95.08609	100.0
97.06525	6.8
97.10165	4.1
97.91554	1.9
98.22615	3.4
99.04449	5.9
105.07035	43.3
107.08593	55.5
109.06522	7.9
109.10152	46.1
111.08089	8.4
113.06031	2.6
117.07011	5.7
119.08584	45.5
120.08878	3.1
121.06504	8.1
121.10143	45.9
122.10493	4.0
123.08067	11.6
123.11707	24.1
125.09588	3.8
127.07523	2.1
127.15936	1.9
129.07014	4.1
131.08560	11.9
133.06516	2.4
133.10132	45.2
133.23642	1.8
134.10359	1.7
135.08095	8.9
135.11703	33.0
137.09610	3.9
137.13220	3.6
139.07562	6.8
139.11128	3.5
143.08534	5.0
145.10138	14.7
147.08069	5.6
147.11678	30.6
149.09636	6.1
149.13275	11.7
151.07570	2.2
151.11211	7.2
152.04675	2.4
153.09065	4.3
155.08565	7.6
156.09338	2.5
157.10123	9.6
159.11708	19.1
161.09653	9.8
161.13258	48.2
162.13603	2.5
163.11195	5.7
163.14799	2.8
165.12711	2.6
167.07063	2.2
167.08572	2.1
167.10710	2.6
169.10101	3.0
169.12299	3.4
171.11694	7.3
173.13297	9.7
175.11249	8.9
175.14830	14.2
177.12801	7.6
179.10712	2.0
181.10037	2.0
181.12233	8.3
183.11546	1.7
185.09689	2.3
185.13292	3.0
187.11278	3.5
187.14874	5.2
189.12750	5.4
189.16399	13.6
191.14362	4.8
193.10094	3.7
193.12196	1.8
195.06552	22.3
195.11934	3.6
195.13818	12.8
197.13297	2.0
199.14830	4.8
201.12605	2.2
201.16339	3.2
203.14326	5.7
203.17981	3.8
207.12030	1.9
207.13776	10.3
209.15387	3.9
211.11209	2.4
211.14836	5.9
213.12817	3.3
213.16472	2.6
217.15897	9.8
221.13417	3.0
221.15439	4.7
223.14796	3.4
223.16835	2.4
229.15868	3.0
231.17442	4.4
233.13234	3.1
235.16945	17.2
237.12646	2.6
241.08595	3.1
242.09299	2.4
249.18591	5.9
255.06438	3.3
257.08060	2.5
258.14120	2.2
267.10135	2.3
269.08212	3.6
271.09625	2.2
282.08771	2.8
284.10458	3.8
285.07538	2.4
285.11075	2.1
286.08432	2.5
287.09097	5.6
289.19397	3.2
291.17322	3.0
295.09747	2.0
297.07813	4.4
298.08328	2.6
299.09113	4.9
299.12656	2.6
300.10052	2.5
301.07645	2.5
301.10635	10.4
309.11252	2.6
310.11819	2.7
312.09872	6.7
312.13394	2.6
315.08591	6.7
315.12292	5.6
316.13022	10.6
317.09973	2.0
317.18671	2.0
317.24780	2.3
325.10590	3.9
327.12152	4.9
330.11029	5.6
331.11511	3.0
332.12534	2.7
336.13559	3.0
339.15900	7.7
340.13055	4.4
341.13846	4.5
342.14661	11.4
343.11578	2.6
345.13284	39.9
346.13638	5.3
347.15033	3.2
357.27789	9.4
358.14072	2.0
358.28445	2.2
371.14914	13.3
372.19302	2.7
373.16397	4.6
377.28424	6.6
382.17804	3.7
385.31000	13.1
386.31131	2.1
387.26846	3.7
395.29443	23.0
413.20068	2.7
413.25052	2.8
413.30383	11.9
414.30374	3.2
431.20624	6.0
431.25735	32.9
431.31454	12.5
432.20935	2.3
432.26355	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01863	1.1
55.05515	10.5
57.03437	1.1
57.07076	4.0
57.39410	0.4
59.04994	0.8
65.03931	1.0
67.01859	1.8
67.05505	14.0
68.05845	0.4
69.03426	0.8
69.07069	11.8
69.22852	2.9
70.07421	0.6
71.04996	5.1
71.08648	1.9
73.06548	0.6
77.03892	0.4
78.26498	0.4
79.05492	5.4
79.38068	0.4
81.07059	30.8
82.07394	1.1
83.01315	0.4
83.04980	3.2
83.08623	7.4
85.02903	0.6
85.06538	1.1
85.10169	1.1
89.04421	0.4
91.05477	4.4
93.07048	11.1
94.07391	0.4
95.04977	1.0
95.08608	36.4
96.08913	1.1
97.06526	0.5
97.10170	4.9
98.22849	1.4
99.08091	0.8
105.07021	4.7
107.08590	4.0
109.06528	3.6
109.10156	20.7
110.10466	0.6
111.04454	0.9
111.08094	1.4
111.11731	2.1
113.09649	1.0
117.07030	1.1
119.04935	0.6
119.08578	3.8
121.06511	3.9
121.10155	4.3
123.04462	0.5
123.08073	4.2
123.11710	11.9
125.05940	0.8
127.11183	0.6
128.06215	0.6
129.07025	0.8
131.08600	2.0
132.05704	0.6
133.06480	1.1
133.10147	2.3
135.08099	2.6
135.11696	2.6
137.05972	11.8
137.09628	0.6
137.13263	3.4
138.06715	0.9
139.03911	1.5
139.07538	4.3
141.05516	0.8
142.07774	0.8
143.08572	2.1
145.10114	1.3
146.07275	0.7
147.08067	2.6
147.11711	2.2
149.05966	6.3
149.09598	1.7
149.13281	2.4
151.07541	36.0
151.14835	1.8
152.07973	0.8
153.05461	2.1
155.08560	0.4
156.09352	0.5
157.10115	2.3
159.08031	2.1
159.11676	1.4
160.08751	0.9
161.05975	5.0
161.09636	3.3
161.13275	0.8
163.07573	1.4
163.11182	0.6
163.14819	2.0
165.05479	16.3
165.07712	0.7
165.09117	10.3
165.16359	1.2
166.06117	1.1
166.09387	0.6
167.07039	100.0
168.07350	3.9
169.10170	0.5
171.08073	1.0
171.11679	1.1
173.09612	1.2
173.13264	0.6
174.06779	0.6
175.07544	7.2
175.11131	2.2
175.14891	0.5
177.05466	0.6
177.09099	4.4
177.16376	1.2
178.06197	0.6
179.07051	3.3
179.10692	2.9
181.08633	2.8
183.11734	0.4
185.09634	2.3
187.11232	1.5
188.08307	1.6
189.09106	20.7
189.12724	1.9
189.16479	0.5
190.09549	1.4
191.06998	2.4
191.10658	2.4
191.17915	0.7
192.07733	1.1
193.08612	5.5
193.12109	0.7
195.10114	1.1
199.11154	1.1
201.09177	0.5
201.12691	0.6
202.09949	0.6
203.10666	11.6
203.14343	0.6
204.11066	0.5
205.08646	2.1
205.12270	1.7
206.09395	0.6
207.10165	8.1
207.11967	0.7
208.10471	0.4
209.13297	0.4
213.12794	0.6
217.12262	5.7
219.10072	0.9
219.13692	0.6
221.11621	3.5
225.12875	0.5
227.14383	0.6
229.12210	0.8
231.13777	2.9
233.11739	0.6
235.13200	0.9
239.14143	0.4
245.15417	1.1
247.13359	0.5
249.14755	0.9
259.16940	0.8
277.25140	0.4
291.26724	0.6
303.19485	0.6
305.21115	0.5
349.23712	0.5
385.26749	0.5
385.31210	0.7
395.29379	2.0
413.30478	17.5
414.30881	2.5
416.16006	0.6
431.18619	5.3
431.25653	4.2
431.31506	13.0
432.19089	1.8
432.26321	0.9
432.31461	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52719	0.8
53.03941	0.8
55.05513	6.0
56.90785	0.7
57.03432	2.2
57.07080	23.0
60.26115	0.7
67.01857	0.9
67.05492	3.2
69.07072	7.9
70.54784	1.4
71.08637	16.3
79.05482	1.4
81.07058	11.1
83.04991	3.0
83.08620	6.9
85.10193	8.0
91.05466	3.4
93.07052	8.3
95.04937	1.1
95.08609	9.3
97.10182	4.7
99.11729	1.1
105.07022	1.9
107.08606	1.5
109.06493	5.1
109.10130	4.8
111.11742	1.6
119.08595	2.7
121.06500	2.0
123.08070	3.9
123.11657	2.1
125.06155	0.8
131.08611	1.3
133.06506	2.2
135.08102	2.3
137.05983	15.8
137.09639	1.2
137.13197	1.2
138.06764	1.8
139.03813	0.8
139.07510	4.6
143.08556	1.0
147.08038	3.2
149.05986	4.4
149.09602	1.0
151.07542	35.9
152.07935	1.7
157.10159	2.0
159.08072	2.3
161.05956	5.3
161.09590	2.7
165.05461	10.4
165.09126	13.0
166.06224	3.3
167.07042	100.0
168.07378	2.8
171.50534	0.8
173.09654	1.0
175.07573	6.1
175.11163	1.1
177.09093	5.5
177.44406	0.8
178.06316	1.1
179.07048	5.6
179.10692	3.1
181.08592	4.2
185.09656	0.9
188.08263	1.6
189.09090	7.6
189.12808	2.1
191.07018	2.9
191.10667	3.5
192.07809	2.1
193.08606	9.8
195.10118	1.8
203.10725	5.8
205.12296	2.2
207.10176	14.0
217.12279	5.0
221.11731	7.9
231.13741	1.8
235.13278	3.8
245.15399	1.2
246.15852	0.8
249.14804	1.2
259.17029	1.1
263.16571	1.3
277.17957	1.3
277.28903	0.9
291.30325	1.1
305.21295	1.3
399.58676	0.8
403.35782	2.1
413.34247	5.5
431.35196	30.8
432.35724	6.2
453.82858	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20693	5.6
55.05511	25.6
57.07072	12.6
59.05008	6.5
61.37286	5.2
63.67944	4.7
67.05509	34.1
69.07069	40.0
70.20585	20.1
71.05004	11.4
71.08633	8.5
79.05490	22.7
81.07063	93.7
83.08637	20.3
91.05487	14.1
93.07044	52.7
95.08604	100.0
97.10171	16.3
99.08133	5.9
105.07044	21.7
107.08610	62.6
109.10165	74.4
111.11756	8.5
119.08579	33.5
121.10159	56.7
123.11688	49.4
124.45311	5.9
127.11198	20.8
130.74147	5.4
131.08589	7.3
131.33162	5.5
133.10130	28.5
135.11697	43.5
137.13268	21.6
143.32626	6.2
145.10138	11.0
147.11700	24.2
149.13261	49.1
151.07533	8.2
151.14784	9.3
153.12814	6.2
157.10136	8.0
159.11728	9.9
161.13251	13.5
163.14854	39.9
173.13327	6.7
175.14836	11.6
177.16400	18.6
189.16412	11.9
191.17961	15.0
203.17967	10.8
205.19531	10.0
217.19437	9.7
247.24236	12.7
257.22983	6.7
273.25735	8.5
380.76828	6.1
413.37851	52.2
414.38351	8.0
431.18567	11.0
431.27707	76.5
431.38800	15.9
432.19016	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97419	4.8
62.98253	9.4
63.09834	4.8
64.50577	4.0
65.62554	5.0
67.05499	6.9
69.07059	4.4
71.31687	5.1
73.29101	4.1
79.05490	6.5
81.07040	11.0
91.05499	5.4
93.07020	12.4
95.08591	14.3
105.07018	5.4
107.08580	7.8
108.08271	4.8
119.08584	5.7
133.10152	6.7
157.10114	10.2
167.07036	6.1
181.10014	6.0
194.10651	4.8
209.13258	5.7
227.06996	13.4
228.63319	4.6
239.14232	5.7
279.17416	4.6
285.07529	7.2
287.09052	8.7
293.22675	7.3
299.09354	4.9
317.10107	7.4
325.14243	10.2
335.25775	7.6
371.08267	11.2
386.10556	10.9
387.17990	91.3
388.18503	9.7
415.26080	7.0
417.12473	22.8
432.14743	45.2
433.22028	6.2
433.27286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	32.7
67.43761	9.0
68.73999	9.3
69.07079	14.3
70.68480	19.8
79.05486	25.3
81.07053	100.0
91.05473	18.8
93.07034	38.5
95.08595	61.1
105.06992	49.9
107.07914	11.5
107.08585	44.3
109.10157	26.3
119.08596	66.6
121.10071	20.9
123.11711	41.6
133.10118	36.5
135.11662	24.8
145.09964	10.9
147.11679	19.9
161.13245	46.9
189.16443	70.9
189.85912	10.3
217.15959	27.9
228.73453	9.4
235.17036	53.9
265.27325	10.7
432.26236	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	13.6
69.03442	4.4
69.07072	5.9
69.56522	20.3
79.05493	10.2
81.07057	34.7
83.05011	4.1
83.08608	3.1
85.02915	9.1
91.05478	11.5
93.06532	4.1
93.07025	19.8
95.08586	23.4
97.02912	3.4
105.07034	16.3
107.08595	29.6
108.09003	3.6
109.10171	11.3
117.07010	3.5
119.08578	15.6
121.06516	3.8
121.10152	14.5
123.11757	6.1
128.06189	4.9
133.10124	21.3
137.06000	16.4
143.08588	5.8
147.11668	13.4
149.13258	71.7
156.09135	3.7
159.11742	6.3
161.13287	10.1
165.12779	4.3
189.16367	100.0
190.16803	5.5
200.19966	4.3
207.17462	80.1
217.15891	5.1
233.13493	4.2
235.16962	17.2
253.18021	15.0
271.13098	8.7
300.56497	3.8
415.18320	4.1
432.19434	6.2
432.26126	8.7
433.19263	13.0
433.27188	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56416	3.8
52.00318	4.3
56.29428	4.2
58.11411	4.0
69.07066	9.5
70.62254	6.5
70.62600	8.3
79.66235	4.4
81.07048	12.2
85.02915	5.0
91.05477	11.9
93.07027	11.0
95.04972	5.5
95.08606	13.1
97.02980	4.1
105.07033	17.4
107.04961	28.8
107.08604	12.9
109.10146	9.7
117.07049	4.5
119.08578	22.3
121.06488	8.3
121.10167	7.5
126.88340	3.8
131.08569	15.9
133.10135	19.3
135.08086	3.7
137.05937	5.9
143.08476	5.0
145.10106	23.2
147.07997	4.3
147.11711	14.2
149.09637	14.1
157.10109	8.3
159.11671	24.0
161.06027	6.3
161.09613	11.6
161.13272	14.5
173.13283	6.1
175.11238	14.9
179.24878	4.0
189.16396	16.3
199.14819	8.9
201.16362	16.3
217.15878	27.2
219.17444	13.3
235.16911	100.0
236.17317	6.7
248.37062	4.2
256.61670	4.7
393.90875	4.2
432.14026	6.0
433.17758	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65962	2.5
54.32425	2.8
61.75705	2.5
67.05512	6.5
69.07072	5.9
73.02938	4.2
79.05497	8.4
81.07056	15.0
85.02911	6.7
91.05491	6.5
93.07043	9.0
95.08597	17.0
105.07038	22.1
107.04959	23.1
107.08582	16.1
109.06554	6.3
109.10168	8.6
111.23551	2.5
117.07094	3.1
119.08568	18.6
121.06518	3.0
121.10172	4.8
123.08067	3.3
131.08611	14.8
133.06544	3.8
133.10110	13.8
135.08034	5.5
137.06015	12.2
138.20093	3.0
143.08592	7.5
145.06505	3.5
145.10112	22.8
147.08083	4.3
147.11707	10.6
149.09660	10.4
154.42319	2.7
157.10143	7.4
159.11678	19.0
161.05989	6.5
161.09666	10.4
161.13304	11.9
173.06075	3.9
173.13278	5.0
175.11275	8.2
175.14879	5.6
189.16422	16.6
199.14876	9.9
201.16371	20.5
205.15800	3.2
217.15913	23.2
219.17485	9.7
235.16920	100.0
236.17357	4.7
271.06219	3.5
288.05865	4.1
299.35901	2.9
432.14557	8.1
433.18362	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
69.03432	0.6
71.30021	0.8
73.06538	1.5
77.07349	0.5
77.81603	0.5
83.04971	0.7
85.02899	0.9
85.06503	0.5
87.04463	5.4
89.06027	100.0
90.06375	2.1
97.02850	0.9
97.06532	0.5
98.97588	1.4
105.07024	0.6
107.07063	1.5
131.07033	1.8
133.08597	56.0
134.08919	1.1
137.02293	0.6
137.05846	0.9
164.18073	0.6
175.09665	1.5
177.11209	17.2
199.15024	0.8
204.86604	0.5
213.09088	1.2
221.13794	3.6
228.73540	0.5
239.14955	0.7
253.17996	1.1
256.55682	0.7
259.09763	1.1
265.16281	0.8
283.17526	1.3
327.20193	1.5
371.22739	1.7
373.15594	0.8
391.17120	0.5
415.25381	10.3
421.82916	0.6
433.10449	0.6
433.24472	0.9
439.39413	0.6
458.46738	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	2.1
57.07072	1.0
67.05515	5.3
69.03429	1.1
69.07068	3.5
71.29837	1.0
79.05476	2.3
81.07063	3.4
81.99123	0.8
83.04948	1.0
83.08605	1.7
93.07018	1.8
95.04955	0.7
95.08609	8.3
97.28132	0.7
103.94127	0.7
105.07023	2.4
107.04355	0.9
107.04965	7.4
107.08561	1.1
109.06486	1.5
109.10153	2.9
119.08547	1.0
121.06530	2.0
121.10137	0.7
122.07289	12.5
123.08073	9.7
123.11636	0.9
131.08553	0.8
135.08081	4.1
137.05928	2.6
138.06773	1.4
145.10141	1.1
149.06047	0.7
150.06757	35.5
151.07539	100.0
152.04697	3.1
152.08249	5.7
153.05461	4.6
158.81137	0.8
161.05905	0.8
163.07527	2.4
163.11166	1.7
164.08279	2.5
167.06956	1.7
168.07367	1.0
171.11679	0.8
173.09601	1.2
175.07547	1.8
176.08292	0.9
177.09113	3.1
189.09079	2.6
191.10667	23.6
192.10942	1.2
205.12308	1.0
207.62874	0.8
329.56842	0.7
329.83289	0.7
360.15051	0.7
414.34915	75.6
415.35254	8.4
432.18689	0.8
432.36050	33.1
433.27505	2.0
433.37036	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.113
Annotation	Galanginin
Peak:m/z	Relative Intensity
55.01861	3.6
57.03427	3.6
63.13031	2.0
67.05485	3.0
68.99783	3.3
69.03404	3.3
69.54215	9.3
69.54642	4.5
73.02921	48.8
74.81097	2.0
79.05511	2.8
81.07040	2.4
83.04958	2.9
85.02917	10.5
87.04484	2.5
91.05489	3.3
93.07035	2.9
95.04938	2.5
97.06504	4.4
98.23350	2.5
105.07024	3.8
107.04955	90.7
107.08601	2.9
108.05278	3.2
111.04435	4.1
117.07026	2.1
119.04890	2.9
119.08585	3.4
121.02870	12.3
123.04399	3.6
126.29791	2.3
127.03899	3.7
135.04428	7.5
137.05960	2.3
139.03902	4.9
141.06975	3.0
141.14601	2.6
145.10153	2.4
147.04465	2.4
147.08099	2.9
149.02344	65.8
153.01826	100.0
163.03889	4.1
165.01823	5.7
167.03450	5.7
169.06465	5.5
169.10289	2.3
177.01892	5.3
189.01715	3.1
191.03423	3.4
195.02911	14.0
197.05954	5.6
207.03056	2.8
215.07030	65.1
216.07384	4.5
219.02989	2.9
235.05908	2.6
239.07054	2.6
241.08957	2.3
243.06544	57.4
244.06842	2.9
255.06479	4.6
261.03958	5.6
271.05994	42.3
272.06448	4.3
281.08087	2.4
287.05469	5.0
289.07074	84.0
289.10315	5.1
290.07449	6.9
295.06000	3.1
309.07574	3.5
323.09198	4.6
325.07162	4.4
342.02386	2.2
351.08798	5.2
355.08270	2.3
369.09760	3.6
397.09113	7.2
415.26569	3.3
433.14658	3.5
433.27408	19.8
441.18347	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
51.63672	1.4
57.03427	5.7
59.58638	1.2
66.18445	1.4
68.67314	1.3
69.03394	1.4
70.49383	2.7
70.49738	2.8
71.04998	22.0
75.04472	5.4
82.51059	1.3
85.02906	19.3
89.55096	1.3
104.42525	1.2
107.04917	1.4
107.47890	1.2
111.04433	1.3
116.15335	1.3
121.02868	4.3
125.94066	1.2
129.05475	3.1
129.06909	1.3
139.97371	1.4
141.35110	1.5
153.01826	6.2
200.23878	1.3
213.05585	1.4
261.30823	1.4
287.05496	100.0
288.05798	6.6
299.05237	2.2
329.06540	5.2
353.06415	2.6
379.07965	2.2
397.09155	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.9
57.03432	7.8
67.05486	1.1
68.99808	1.4
69.04640	7.1
69.07058	1.1
71.04985	4.1
73.02924	4.2
75.04485	17.4
79.05505	1.8
81.03418	1.0
81.07048	2.0
83.04994	1.0
85.02909	6.8
95.04958	1.0
95.08574	2.0
97.06542	1.5
105.07015	2.3
107.04973	2.5
107.08619	1.2
112.19408	0.9
119.08615	1.7
121.02866	3.5
131.08618	1.2
133.10161	1.8
137.05911	0.9
145.10104	1.2
147.04550	1.0
147.11676	1.1
149.02344	1.4
153.01834	7.5
157.06418	1.1
159.11731	1.8
165.01848	2.9
165.12758	0.9
174.86404	0.8
183.02858	1.2
213.05438	2.0
213.09227	1.0
215.07053	1.5
217.15863	1.1
219.17488	1.0
231.06471	1.8
241.04919	1.5
243.06639	1.2
255.18849	0.8
258.05365	1.6
271.06177	1.2
287.05487	100.0
288.05798	7.6
289.05908	4.7
433.11279	1.2
433.18295	2.5
443.42938	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Genistein 8-C-glucoside
Peak:m/z	Relative Intensity
55.01882	1.0
57.03437	3.2
65.03956	1.0
67.05540	0.8
68.99802	1.8
69.03440	2.7
71.04996	11.4
71.19785	1.3
73.02923	1.5
77.06082	0.8
79.01849	1.1
79.05488	1.4
81.03442	1.8
83.04988	2.1
85.02908	14.7
91.05476	1.9
93.03421	1.3
95.04993	1.7
97.02891	2.6
97.06544	2.9
105.07044	2.5
107.04948	1.1
109.02867	1.9
109.10181	1.3
111.00813	1.1
111.04405	1.1
119.04936	4.0
121.02881	12.9
123.00845	1.1
123.04443	1.4
129.05484	2.2
131.08585	1.2
133.02867	1.1
133.04982	1.0
133.10231	1.1
135.04407	1.4
137.06052	1.2
145.02875	3.3
145.04967	1.5
147.04405	2.5
149.02306	2.0
153.01831	4.1
155.02411	0.9
159.04471	0.9
160.05200	1.2
161.06021	2.4
163.03923	4.1
165.01825	17.3
167.03392	2.4
167.08525	1.1
177.01878	1.6
181.04996	1.0
183.02957	4.8
187.03923	1.9
189.09137	3.4
191.03378	1.3
195.02989	1.4
195.08192	1.0
205.04985	1.4
213.05568	2.6
213.09062	1.2
214.05753	1.0
215.03442	1.0
217.04980	1.6
221.24739	0.9
239.07103	1.0
243.02850	1.4
243.06499	1.0
255.06560	2.6
256.07285	2.8
259.09637	2.5
261.04022	1.1
267.06512	7.9
270.05246	2.1
271.06046	7.0
279.06546	1.5
281.08081	5.0
283.06006	100.0
284.06653	24.8
285.07269	1.8
287.05490	45.2
288.05777	4.3
295.06033	15.1
295.09631	3.1
296.06494	1.5
297.07526	8.8
299.05597	1.4
305.08124	2.9
307.06021	2.4
308.06912	2.3
309.04022	1.0
309.07529	17.6
309.10907	1.6
310.07855	1.7
311.05423	2.2
313.07050	79.6
314.07410	6.0
321.07614	2.4
323.05658	1.4
323.09116	17.9
323.12766	1.7
324.09601	1.8
325.07022	1.9
329.06589	2.1
333.07648	2.8
337.07043	36.7
338.07352	2.9
343.08234	2.1
349.07056	11.5
350.07721	1.3
351.08725	3.7
361.07083	8.2
362.07269	1.1
367.08109	21.9
367.12424	1.5
368.08270	1.5
379.08157	17.1
380.08426	2.1
397.09192	25.7
398.09436	3.8
415.10187	21.1
416.10651	1.9
433.11029	20.4
433.20380	2.1
434.11227	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1471
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
69.62375	4.3
73.18183	0.9
80.26338	1.1
82.80350	1.0
86.09702	1.6
102.70943	1.0
118.42249	1.0
123.04453	4.6
135.04472	1.0
142.99136	0.9
147.04379	1.4
156.46104	1.0
175.03659	5.9
203.03406	1.7
228.35411	1.1
237.07379	1.3
271.05948	1.2
283.05972	1.2
309.07785	0.9
316.74255	1.0
384.60172	1.0
415.08362	1.1
433.14664	100.0
434.14780	7.6
451.77966	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61511	1.9
55.05512	3.8
67.05506	6.0
69.03438	4.2
70.06287	4.3
79.05489	9.5
81.07056	24.4
83.04979	3.6
88.35732	2.0
91.05479	7.9
93.07037	5.4
95.04953	3.9
95.08601	5.3
98.48616	2.0
100.11265	6.6
105.07046	7.3
107.04962	3.9
107.08607	4.7
109.06512	11.2
111.04418	3.9
115.05489	3.7
117.07037	6.7
119.08603	4.7
121.06479	2.4
121.10139	2.7
123.04431	2.7
128.06235	4.6
129.07014	7.5
131.08516	3.5
133.06445	3.8
133.10165	2.4
135.08028	3.1
137.05974	34.9
141.07002	2.5
143.08620	4.8
145.06467	2.5
145.10104	3.0
147.08101	4.0
148.05219	8.1
151.03909	2.5
151.07520	4.0
153.07019	4.7
155.08569	28.2
157.10133	3.1
159.08064	4.8
159.11717	2.4
163.07610	3.3
165.06964	4.1
167.06976	2.5
167.08485	3.6
169.10104	2.8
171.11613	2.5
173.09641	27.7
175.07492	2.8
178.07678	2.7
179.08571	6.8
181.08609	47.5
181.10065	3.8
181.17438	2.4
182.15501	2.6
183.11638	4.3
184.16939	2.7
187.11137	3.1
189.09122	4.4
192.09209	2.3
193.10141	3.5
195.10149	2.8
195.11729	4.3
197.09596	5.5
197.13216	3.8
199.06065	2.8
203.08653	3.2
203.10573	3.1
204.11517	4.0
207.11812	4.8
209.09645	3.8
211.07483	2.5
212.16580	2.1
213.05400	3.0
221.13379	3.6
223.11238	3.4
225.12790	8.4
233.09721	3.8
233.13390	2.2
235.11224	3.5
237.05457	3.3
237.09087	3.7
237.12759	3.5
238.09981	2.3
239.06865	2.7
239.10765	4.7
239.14336	4.1
240.15016	5.3
249.09158	4.7
250.13460	4.3
251.06931	4.1
252.07770	5.3
253.08449	2.9
253.12277	3.9
255.09952	3.5
255.13922	3.1
264.07776	2.5
265.08563	7.8
266.09454	3.0
267.06628	4.4
267.10156	8.5
268.11166	2.7
268.14520	8.2
269.08014	6.6
277.08667	4.8
278.09406	3.4
279.07013	2.8
279.10056	7.2
280.07339	4.7
281.07971	8.1
281.11554	4.6
282.09042	2.8
283.06067	3.1
283.09698	9.3
284.10355	4.7
285.07639	4.6
285.11096	3.5
287.09119	4.7
293.08130	4.5
293.11710	6.0
294.08783	4.0
295.09573	24.2
295.12689	3.6
296.10321	7.5
296.14008	5.7
297.07590	7.9
297.11047	4.2
298.08383	2.9
299.12732	7.5
300.09827	2.7
301.07132	3.7
301.10571	4.9
303.08630	3.9
307.12982	3.1
309.11179	3.8
310.11908	24.0
311.09152	15.3
311.12643	5.7
312.09875	8.1
313.07062	4.4
313.10541	3.8
313.14368	3.9
315.08722	5.0
315.12277	2.9
316.09415	3.1
317.10135	4.9
320.10333	2.2
321.11139	4.0
323.09146	2.7
323.12881	4.0
325.10739	5.2
326.11459	10.4
327.08630	6.5
327.12302	21.2
328.12988	4.4
329.10199	9.2
330.11041	4.7
331.11685	9.8
332.12332	3.9
335.12842	2.4
337.10800	8.7
338.11230	3.8
339.08624	2.8
341.10242	6.6
341.14005	17.7
342.14566	19.5
343.11847	4.9
344.12418	5.8
345.13388	6.6
351.12186	3.3
352.13034	5.0
353.13913	5.2
355.11664	3.4
358.10339	2.5
358.14200	7.8
359.11102	4.8
359.15002	10.5
360.11902	4.6
361.12759	5.6
367.15381	6.8
368.16318	5.1
369.13293	14.4
370.14133	4.8
373.16620	25.0
383.14920	8.7
384.15643	25.6
385.16263	3.6
387.14264	4.9
387.18900	3.0
399.18179	5.2
401.15875	2.7
402.17627	2.4
405.20651	8.2
415.17624	19.1
415.26236	4.2
416.18295	100.0
417.18573	8.5
433.19904	14.6
433.27374	13.0
434.20081	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07108	1.5
69.22218	4.0
69.22636	6.1
74.34443	1.3
83.30908	1.4
98.22602	3.1
101.08967	1.3
105.05522	1.3
112.75874	1.3
129.07033	1.6
133.10153	1.6
179.08597	1.8
211.07591	2.1
227.06975	1.6
231.09776	1.4
239.07146	1.5
240.07755	1.9
241.05074	2.5
241.08521	3.3
242.09525	2.5
245.08124	1.9
247.11267	1.4
253.08746	2.1
254.09448	3.2
255.06560	2.2
255.10178	2.8
257.08093	8.5
263.10800	3.4
264.11276	1.5
267.10266	1.8
268.07364	1.3
268.11026	3.0
269.08029	4.6
270.08826	5.3
271.09546	5.2
272.10422	6.7
273.07596	5.5
276.11545	1.9
277.08826	2.0
277.12247	3.6
279.10162	3.0
280.10864	2.2
281.08139	1.9
282.08926	1.6
283.09723	3.5
284.07269	2.1
284.10440	7.6
285.07553	7.0
285.11160	7.5
286.08221	3.8
287.09277	2.0
288.09845	2.6
291.10092	3.0
292.10898	2.4
293.11731	4.0
294.12338	2.4
295.09949	3.2
295.13278	5.8
296.10443	4.5
297.07547	2.6
297.11008	3.1
298.08386	2.8
298.11890	2.6
299.09103	3.7
299.12790	7.4
300.09863	8.9
301.07303	2.8
301.10745	5.9
303.12329	2.3
306.12537	1.6
307.09702	4.2
307.13364	11.0
308.13885	1.9
309.11267	3.0
309.14661	2.8
310.11868	1.7
310.15482	3.1
311.09335	1.8
311.12808	4.8
312.09860	3.6
313.10611	10.2
314.11325	3.6
315.12247	17.8
316.09344	4.6
316.12894	2.9
317.10196	4.2
321.11252	3.2
321.14755	2.5
322.11987	3.6
322.15662	18.0
323.12738	20.2
324.13281	3.4
326.15140	2.2
327.12250	9.7
328.13110	12.2
329.10095	5.2
329.13696	5.1
330.11075	2.1
330.14514	1.9
331.11707	15.5
332.12433	10.2
336.13623	2.0
337.14331	4.4
338.11176	2.5
338.15146	32.0
339.12155	3.5
339.15665	3.7
340.12894	2.7
341.13800	3.2
341.17548	5.6
342.14688	18.1
343.11688	1.9
343.15234	1.8
344.12601	5.4
345.13239	8.4
346.14108	27.2
347.14804	7.0
352.16760	2.8
353.13681	5.9
353.17545	13.1
354.14581	9.7
354.17978	2.3
355.15494	2.6
358.14114	4.1
359.14963	14.3
368.15872	2.0
369.17004	34.0
370.17599	3.9
372.15802	1.8
373.16492	15.0
383.18689	4.7
384.19333	100.0
385.15561	2.9
385.20197	11.4
386.17142	2.3
400.18826	19.0
401.19028	2.0
415.21210	55.5
416.21426	8.3
418.69797	1.4
433.27170	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.7
66.20396	1.3
69.07069	3.1
75.25658	1.5
79.05486	3.3
80.15913	1.6
81.07034	2.1
84.62346	1.6
91.05501	5.2
95.04983	2.9
95.08596	2.2
105.07056	2.2
107.04964	2.5
109.06486	4.8
121.06483	2.4
123.04490	2.6
135.08041	1.9
136.05240	2.1
137.05969	2.6
138.06734	10.9
139.07487	2.5
147.04411	2.3
148.05191	9.3
151.03928	2.5
151.07527	5.5
152.04636	2.8
153.05373	2.1
154.06241	12.1
162.06702	2.8
163.07607	2.2
165.05482	5.1
165.09241	2.0
166.06274	13.1
169.08598	16.0
169.09904	2.3
173.09612	7.1
178.09903	6.5
179.07059	3.4
180.07800	3.2
181.08598	100.0
182.08911	5.7
187.11168	3.6
189.09128	3.6
192.07866	1.4
194.01718	1.5
194.09424	5.8
195.06544	28.6
195.08257	2.6
195.08601	1.9
195.10170	16.8
197.08087	5.6
201.09114	10.6
202.09859	1.9
209.11725	16.4
216.11447	36.7
217.08580	6.1
217.11815	3.7
232.10823	8.3
237.14922	3.8
247.13283	37.2
265.14340	30.2
300.71445	1.5
332.36499	1.4
416.17923	2.5
433.27417	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
58.06464	1.1
60.62611	1.2
70.35674	3.1
70.36017	2.0
75.34327	1.7
79.05466	1.6
82.98428	1.3
90.25153	1.2
91.05489	3.7
94.80553	1.3
95.04963	1.5
102.36219	1.5
103.05489	1.4
105.03414	2.7
107.04959	3.2
109.06521	2.5
119.04984	2.3
119.30234	1.6
121.06527	2.9
123.04426	2.7
124.05246	1.7
125.80632	1.3
133.02809	1.6
134.20798	1.3
135.08057	1.9
136.05170	3.1
137.05981	2.7
138.06779	12.4
138.70940	1.4
139.03906	3.0
139.07547	3.8
143.96805	1.3
147.08055	1.4
148.05193	9.7
149.05933	1.8
151.03960	2.0
151.07564	5.2
152.04691	2.2
154.06274	11.8
162.06738	1.5
163.07539	3.0
165.05501	4.4
165.09178	1.8
166.06259	16.7
167.06929	2.4
168.07864	2.0
169.08604	20.0
171.08101	2.1
173.09586	11.4
175.61111	1.5
176.08249	1.5
177.09134	2.0
178.09897	8.4
179.07065	4.7
180.07889	6.4
181.08598	100.0
182.08952	4.2
187.11192	1.9
189.09195	1.8
192.07854	2.1
194.09366	7.4
195.06546	24.4
195.10175	19.3
197.08063	9.6
201.09109	13.6
205.08691	1.5
206.09435	2.6
209.11725	23.8
216.11461	52.1
217.08575	5.2
217.12038	4.7
221.11731	2.7
225.11224	1.8
232.10930	14.0
237.14917	4.7
247.13301	54.8
248.13664	4.0
251.12570	2.0
265.14355	32.3
266.14639	2.6
324.83679	1.3
415.21252	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.6
59.59753	1.3
67.05506	2.8
69.07220	9.0
75.04465	1.5
79.05485	1.4
80.55991	1.0
81.07055	2.5
83.04991	3.2
91.05495	2.8
93.07032	2.1
95.04996	1.3
95.08615	3.9
105.03416	2.1
105.05511	1.3
105.07021	2.8
106.28000	1.1
107.08633	3.3
111.04441	1.4
119.08559	2.5
131.08583	2.3
133.10130	1.5
141.07115	1.3
143.08585	2.4
145.10124	2.8
151.97662	1.3
155.08542	2.4
156.09283	1.3
157.10153	3.0
159.11694	1.7
169.10147	2.0
173.09695	1.3
173.13258	2.2
175.07549	1.5
180.11470	1.0
183.11617	1.2
184.12154	1.3
187.11105	1.6
189.09097	2.6
193.10132	1.4
195.11716	1.5
196.08560	1.2
201.12857	2.1
207.11583	1.7
211.07613	1.2
211.14804	1.6
213.12645	1.3
215.14337	1.4
223.11275	1.8
223.14745	1.7
225.12621	1.3
227.07048	2.3
235.11122	1.3
237.12610	1.5
239.07001	1.4
239.10663	1.3
241.08612	2.4
242.09335	3.2
243.06506	1.9
250.09821	1.8
255.06514	2.1
256.07266	1.2
257.08096	1.6
258.08936	1.3
262.09912	2.1
263.10669	1.4
264.11469	1.6
265.08649	1.2
267.10178	1.9
268.10825	1.6
269.08185	2.4
270.08875	3.2
271.09540	3.9
276.11469	1.9
278.09387	1.2
278.12808	1.6
279.10254	4.4
279.13538	1.6
280.10880	2.3
281.08160	1.4
281.11560	1.4
283.09320	1.3
285.07809	1.9
285.11215	4.8
291.10168	2.8
292.10938	2.4
293.11688	4.3
294.12558	3.9
295.09958	2.1
295.13263	5.7
296.10474	2.2
297.07684	1.3
297.11154	2.3
298.11795	1.8
299.12717	2.1
301.10678	6.5
306.12518	2.8
307.09619	4.2
307.13345	15.6
308.10367	3.0
308.13763	2.4
309.11252	3.6
309.14621	2.3
310.12039	2.2
310.15482	2.4
311.12772	3.8
313.10699	5.0
315.08566	3.3
315.12299	2.3
316.12973	6.5
321.11240	2.2
321.14755	1.5
322.12000	4.6
322.15659	20.1
323.09103	1.9
323.12747	13.6
323.16266	3.2
324.13480	3.7
325.10687	3.7
325.14374	4.6
326.15002	2.7
328.13000	4.2
329.10165	1.8
329.13831	1.8
336.13342	1.5
337.14294	5.6
338.15125	19.1
339.12305	3.9
339.15909	1.8
341.17496	8.2
342.14536	2.5
345.13385	8.6
346.13876	3.9
347.15125	1.6
352.16571	3.5
353.13745	5.8
353.17480	21.1
354.14560	6.6
354.18277	2.9
355.15375	4.9
358.14200	1.8
359.14813	1.5
368.16229	3.7
369.16992	31.4
370.17361	3.8
371.15021	1.8
383.18436	6.0
384.19293	100.0
385.15866	4.0
385.20346	9.9
386.17206	1.3
400.18799	13.8
415.21161	74.4
416.21509	7.3
433.26727	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.4
64.37506	3.6
67.05503	12.1
69.03444	5.8
69.07065	5.2
71.31615	3.8
71.31985	4.4
79.05498	19.1
81.07065	32.0
83.05000	4.3
91.05476	17.0
93.07064	15.4
95.04971	13.3
95.08598	4.6
105.07037	17.0
105.44605	4.5
107.04966	6.4
107.08584	6.5
109.06521	5.5
115.05464	4.4
117.07043	7.5
119.08587	7.6
121.10142	3.8
123.08051	5.3
129.06999	12.7
131.08569	12.1
133.06482	5.0
133.10049	3.7
135.08125	5.5
137.05971	31.5
143.08530	8.7
145.06491	8.5
145.10146	8.2
147.08049	9.2
149.09702	4.8
155.08537	5.5
157.10161	6.5
159.09209	4.0
161.05966	4.8
171.11729	9.5
173.09644	6.8
179.08548	5.5
181.08624	5.5
181.10144	4.3
183.11728	6.3
185.81387	4.0
189.11237	5.0
189.12782	6.1
197.09505	4.7
207.11696	6.7
211.11247	6.7
213.05313	3.5
213.12727	4.8
225.12766	5.4
229.12253	4.3
242.09366	3.9
253.12260	4.4
255.10060	4.8
256.10947	6.1
257.08069	8.2
263.10800	5.1
267.13770	4.4
268.14395	5.0
270.08795	4.9
271.09592	3.9
272.10336	4.8
273.07370	8.0
279.10257	5.0
282.08801	4.3
284.10495	7.7
285.07666	7.7
285.11182	6.6
291.10205	4.4
293.11685	6.4
297.11090	5.2
299.12753	8.0
300.10074	6.5
301.10565	4.8
307.13260	6.4
313.10593	9.5
315.12357	21.3
316.09430	4.8
316.12827	4.3
321.11307	6.5
322.15631	16.5
323.12732	17.8
327.12247	10.5
328.13000	14.6
329.13855	4.9
330.14706	12.5
331.11755	13.5
332.12543	11.8
337.14230	7.3
338.14969	29.7
339.12094	7.3
341.17572	5.7
341.20944	19.4
342.14514	11.7
343.11771	7.4
345.13434	5.3
346.14001	34.6
353.13620	4.9
353.17413	15.8
354.14417	8.6
358.13995	5.2
359.14868	20.3
361.16525	8.0
369.16992	27.2
370.17636	4.7
373.16501	15.6
383.18246	4.3
384.19312	100.0
385.19632	12.7
400.18674	23.9
401.13873	3.9
401.19193	5.3
405.20734	9.4
415.20972	49.2
415.25516	7.0
416.21414	6.2
433.20187	9.5
433.26501	18.8
434.26498	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47989	0.6
55.05513	1.2
57.03431	1.8
57.07079	11.1
67.05507	3.3
67.05798	0.6
69.07064	1.9
70.34171	1.2
70.34543	1.3
71.08627	7.8
76.70484	0.6
81.07047	3.4
83.08621	2.0
85.10184	3.4
91.05473	0.8
95.08606	6.2
97.10171	0.9
98.22649	0.7
109.10131	1.9
120.96644	16.5
123.11666	0.9
131.08540	1.0
150.46890	0.8
159.56299	0.6
176.99234	2.0
193.51845	0.7
195.00296	10.2
195.01939	0.9
197.09712	0.6
213.12715	0.7
239.23717	0.9
268.61197	0.7
313.27344	28.2
314.27640	2.0
329.94952	0.7
335.25726	1.4
353.26624	4.4
415.22098	9.8
433.23245	100.0
434.23486	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2352
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03946	3.1
55.05513	15.9
57.03438	11.0
57.07073	3.4
65.03929	3.4
67.05504	65.5
69.07071	10.6
69.20610	1.7
70.57944	4.0
73.93637	1.7
79.05492	38.0
81.07059	68.6
81.32355	2.0
83.04990	4.3
83.08613	7.4
84.06017	2.0
91.05490	19.8
93.07039	49.1
95.04952	6.3
95.08607	53.7
97.06548	4.1
97.10169	4.8
98.98467	100.0
105.03427	3.1
105.07026	22.6
107.08597	28.7
109.06483	3.8
109.10157	21.7
117.07018	7.2
119.08580	14.8
121.10142	22.8
123.08069	2.8
123.11691	11.4
131.08586	13.6
133.10143	13.5
135.08035	2.5
135.11694	16.8
137.09619	2.3
137.13217	2.5
142.07671	1.8
143.08537	2.4
145.10106	12.6
147.11719	7.2
149.13281	10.5
151.74214	1.8
155.01065	10.2
155.76851	2.4
157.10120	2.3
159.11670	11.2
161.13271	6.2
163.14819	9.9
173.02151	13.9
173.13232	9.8
175.14937	2.7
180.09358	2.1
187.14919	4.7
195.11751	2.3
201.16473	2.8
208.09386	1.9
209.13184	2.3
219.11778	2.6
227.07011	2.1
233.13383	2.2
233.22714	2.6
235.14801	2.1
239.14267	2.9
243.21048	13.5
261.22156	46.6
262.22406	3.0
271.09628	2.3
287.09195	3.3
293.18768	3.7
301.10852	3.0
302.11426	6.7
317.24796	7.8
333.13239	2.4
335.25824	71.8
336.26212	6.7
340.16898	9.2
371.18533	4.1
403.21191	31.7
415.26416	2.5
422.44534	2.1
433.27469	18.1
434.27927	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.0
51.30404	0.8
53.03951	3.9
53.95958	0.8
55.01873	8.8
55.05510	31.4
57.03439	8.7
57.07077	1.0
59.05008	1.2
65.03946	3.4
67.05504	33.6
69.03433	4.8
69.07069	12.1
69.33170	2.4
69.33584	3.2
71.05001	4.5
77.03965	0.9
79.05492	43.8
80.05839	1.6
81.03419	6.7
81.07053	31.0
82.07404	1.2
83.04972	6.2
83.08619	13.6
83.71748	0.9
85.02916	1.3
85.06561	3.3
91.05479	39.2
92.05808	1.2
93.07044	35.5
93.07620	1.8
94.07375	1.3
95.04968	27.9
95.05546	1.7
95.08602	17.9
95.09151	1.3
97.06516	4.2
97.10172	19.9
98.22583	1.7
99.08093	1.7
101.11061	0.9
103.05473	3.2
105.03413	3.1
105.04533	2.0
105.07027	28.6
107.04952	17.0
107.08598	21.8
107.09291	1.6
109.06525	4.9
109.10156	8.9
111.04485	1.6
111.08108	3.6
115.05473	4.2
116.06212	1.7
117.07012	16.7
119.04959	4.0
119.08576	12.0
121.06503	17.8
121.10146	14.0
123.04441	1.3
123.08066	7.0
125.09637	16.6
128.06223	6.4
129.05496	2.5
129.07001	24.7
131.04922	10.9
131.08569	23.7
133.06474	9.2
133.10117	9.0
135.04449	1.8
135.08058	9.1
135.11736	2.8
137.06059	1.6
137.09698	2.3
141.07001	9.7
142.07823	2.9
143.08569	14.7
145.06483	21.3
145.10114	12.6
147.04517	0.9
147.08058	8.2
147.11678	4.9
149.05975	1.2
149.09612	20.2
149.10689	1.4
151.11224	1.5
153.07054	3.0
153.09149	2.8
154.07784	3.7
155.08540	10.0
155.37737	0.8
156.09306	1.8
157.06519	5.8
157.10112	7.1
159.08052	10.3
159.11667	8.8
161.06036	1.5
161.09625	5.5
161.13292	3.8
163.11153	5.1
165.07060	1.2
167.08571	5.4
168.09378	2.0
169.06587	1.8
169.10132	14.8
169.11497	1.0
169.18187	0.9
170.10857	1.0
171.08070	4.8
171.10275	1.4
171.11655	16.8
172.08829	0.9
172.12036	1.2
173.09642	8.6
173.11909	1.3
173.13301	2.0
175.07629	1.3
175.11108	4.2
177.09209	1.4
177.12819	2.3
178.07825	2.0
179.08580	2.7
180.09302	1.4
181.06589	1.6
181.10091	4.8
183.08162	3.0
183.11653	6.5
184.08849	1.1
184.12038	1.0
184.46999	0.9
185.09602	5.1
185.11856	1.3
185.13101	4.4
186.10229	1.0
187.11201	10.3
189.09177	5.3
189.11255	9.4
189.12823	14.5
191.10739	1.7
193.10197	2.1
193.12193	1.0
195.11797	4.0
196.09068	1.2
197.09677	3.9
197.13382	2.9
199.11264	3.3
199.14857	1.4
201.12762	2.5
203.10693	2.7
203.14343	1.4
205.10448	1.6
205.12245	6.3
207.11766	2.0
207.13791	1.5
208.12358	1.0
209.09743	1.5
209.13347	3.8
211.11174	7.4
211.14948	1.7
212.11911	1.2
213.12794	3.8
215.10767	3.4
215.14302	2.2
217.12402	1.0
219.11818	1.5
221.09781	0.9
221.13362	2.8
223.11282	1.8
223.13182	5.5
225.12740	4.6
227.10669	1.6
227.12875	5.0
229.10370	1.3
229.12241	5.7
231.11812	0.9
231.13925	2.8
233.15446	1.1
235.15045	1.2
237.12790	1.7
239.14452	2.8
243.13881	3.4
245.13669	1.4
249.14900	1.8
257.15509	3.1
261.14874	1.2
263.18130	1.5
267.16052	3.4
273.15002	1.6
275.16672	1.6
284.79828	1.0
295.20740	3.8
305.19131	2.2
313.21609	5.1
317.21265	0.9
323.20035	23.2
323.23636	1.3
331.22778	1.5
341.21097	100.0
342.21487	8.7
349.20291	1.5
359.22186	7.5
361.21561	1.1
368.89432	0.9
377.23383	1.7
379.23016	1.0
397.23697	1.9
415.24814	34.2
416.25177	3.1
433.25909	64.3
434.26166	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
53.83191	0.4
55.01869	0.7
55.05515	3.1
55.09729	0.4
56.63648	0.4
57.03435	0.5
57.07063	0.7
62.70601	0.4
65.03922	0.6
67.05501	6.0
69.03429	0.9
69.07066	1.9
69.31557	2.6
71.04974	0.5
79.05489	3.2
80.96678	0.4
81.07047	5.7
83.04972	5.2
83.08607	1.0
91.05478	6.2
93.07043	7.9
95.04965	2.1
95.08601	11.0
97.06519	1.0
99.04494	0.5
105.07026	9.1
107.04939	0.6
107.08594	6.6
109.06525	1.8
109.10121	2.5
111.04434	2.4
111.08076	3.2
113.06023	0.5
117.07029	2.8
119.04951	0.6
119.08575	6.5
121.06512	1.7
121.10152	2.5
123.08080	2.5
123.11694	0.5
128.06226	1.8
129.07014	2.6
130.07809	1.0
131.04924	1.7
131.08551	5.7
133.06470	0.8
133.10127	4.5
135.08006	2.1
135.11717	1.2
139.07529	1.3
141.07001	1.7
141.09061	0.4
142.07756	2.9
143.08557	5.8
144.09393	1.0
145.06505	1.8
145.10114	6.4
147.08043	2.4
147.11725	1.9
149.09610	0.8
149.13289	0.5
153.07016	1.2
154.07762	1.3
155.08534	5.4
155.11874	0.5
156.09300	1.8
157.06511	1.0
157.10129	7.8
159.08060	2.3
159.11681	4.6
160.08777	0.5
161.09607	2.8
161.13252	1.3
163.11128	0.9
165.07011	1.6
166.07774	1.0
167.08562	2.7
168.09331	0.6
169.06519	1.1
169.10132	7.1
170.10870	0.7
171.08092	1.9
171.11644	3.6
172.08818	0.9
173.09598	4.0
173.13332	1.3
174.10431	0.5
175.11169	1.7
178.07751	0.7
179.08537	2.9
180.09329	1.2
181.06479	2.0
181.10075	4.6
182.07167	0.8
182.10889	1.2
183.08064	3.4
183.11673	4.0
184.08838	0.8
185.09653	3.8
185.13222	2.3
187.11172	6.1
187.14787	0.5
188.11783	0.5
189.12741	2.3
191.08524	1.0
192.09360	1.3
193.10132	3.4
194.10881	2.3
195.08028	3.7
195.11697	4.5
196.08810	3.1
196.12445	1.0
197.09601	2.6
197.13248	3.0
199.11119	2.0
199.14894	1.4
201.12772	1.7
203.08583	0.6
203.14153	0.5
204.09351	1.0
205.10168	1.9
205.12030	0.5
206.10918	1.9
207.08203	0.8
207.11697	4.5
207.13635	0.6
208.08861	1.2
208.12396	1.4
209.09660	3.1
209.13229	5.2
210.10376	1.2
210.13814	0.8
211.11256	3.2
211.14812	2.5
212.11905	0.6
213.12744	2.2
215.14284	0.8
217.10121	1.1
218.10918	1.1
219.11658	2.7
220.12378	1.5
221.09741	2.3
221.13243	4.5
222.10379	1.6
222.13853	1.0
223.11165	3.8
223.14702	2.8
224.11967	1.6
225.12737	3.5
225.16360	0.9
226.13493	1.0
227.14325	4.4
229.10162	0.6
231.11740	1.7
232.12424	1.3
233.13225	3.5
234.10371	0.6
234.13957	0.6
235.11128	3.0
235.14761	2.4
236.11784	2.1
236.15532	0.6
237.12737	8.2
237.16400	1.0
238.13446	1.6
239.10655	0.5
239.14293	11.3
240.14986	0.6
241.15816	1.2
245.13284	1.8
246.14029	0.9
247.11205	1.0
247.14874	2.1
248.15364	0.6
249.12720	2.7
249.16289	2.0
250.13553	1.1
250.17119	0.6
251.14253	3.7
251.17978	1.4
252.15065	1.2
253.15865	3.5
254.16757	0.6
255.17545	0.7
259.14761	1.1
260.15564	1.3
261.16248	1.9
261.22134	0.8
262.13443	0.5
263.14365	1.3
263.17831	0.5
265.15921	2.8
265.19550	1.2
266.06927	0.4
271.14737	0.5
273.16394	0.9
274.17297	0.6
275.14767	0.7
275.17944	3.7
276.14868	0.6
276.18515	0.9
277.15891	2.2
277.19250	0.8
278.16629	0.6
278.19992	0.5
279.17419	4.7
287.17981	0.7
289.16016	0.5
291.17484	1.7
292.18237	1.5
293.15753	0.8
293.18982	14.5
294.19717	3.3
295.17484	0.4
295.20303	2.3
299.17786	0.5
301.19412	0.9
303.17645	0.6
303.21027	0.5
305.18958	0.9
319.17050	0.7
319.20471	2.7
321.22318	0.5
331.20612	0.8
333.21872	0.5
334.22913	1.9
335.26294	0.5
371.38278	0.5
387.27130	0.8
389.25058	0.6
397.25586	0.8
405.23846	0.8
405.28568	0.6
415.26410	10.0
416.26840	0.9
433.27371	100.0
434.27704	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.0
57.82717	4.3
67.05499	13.3
69.07076	9.0
70.55817	13.5
79.05499	8.3
81.07066	5.6
83.04974	16.5
91.05484	13.8
93.07032	11.8
95.08604	27.2
98.22897	8.6
105.07017	15.0
107.08588	16.5
111.08096	6.2
119.08566	16.2
129.07054	9.2
131.08600	9.1
133.10130	14.0
141.07010	7.9
143.08537	15.0
145.10121	11.6
153.05449	8.8
155.08571	11.5
156.09326	20.4
157.10059	13.0
159.11687	11.6
161.13316	6.3
163.78842	5.3
169.10094	8.2
171.11691	39.7
175.11435	4.9
181.10081	8.6
189.12700	20.5
189.30397	4.8
193.10150	9.1
195.11633	6.5
197.13251	8.8
207.11758	9.2
209.13226	11.8
211.14783	6.9
219.11699	5.3
221.13307	12.4
223.14856	6.5
231.11694	7.0
233.13426	5.4
245.13249	7.0
249.16364	7.8
259.14862	7.3
260.15701	6.6
261.16406	7.9
274.17023	6.9
276.18842	6.3
293.19025	6.2
301.19479	10.3
303.21130	5.7
316.21713	7.1
413.99451	5.9
415.26282	100.0
416.26584	11.5
433.22220	5.0
433.27481	78.5
434.27917	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.9
55.05459	4.4
57.07036	0.5
65.03926	0.9
67.05454	5.0
69.03381	0.7
69.04829	3.5
69.05238	1.1
69.07013	1.8
79.05504	3.2
81.07058	4.0
83.04983	15.4
83.08578	0.7
91.05492	7.0
93.07051	7.1
95.04924	1.9
95.08608	10.0
97.06474	1.1
98.22589	0.7
103.05418	0.8
105.07035	7.9
107.08590	5.2
109.06435	1.4
109.10098	1.5
111.04453	8.8
111.08077	3.1
113.05933	1.1
115.05421	1.0
117.07054	2.3
119.08581	10.2
121.06434	2.1
121.10134	2.4
123.08007	1.3
128.06230	4.2
129.07010	7.0
131.07693	0.5
131.08565	5.7
133.06401	0.5
133.10147	5.8
135.07985	1.4
137.05923	0.7
139.07498	1.1
141.06984	4.2
142.07782	5.6
143.07466	0.5
143.08563	10.6
144.09128	0.8
145.09190	0.5
145.10127	5.4
146.10890	0.6
147.07985	0.7
147.11722	2.8
153.06946	1.9
154.07803	2.4
155.08557	7.7
156.08186	0.8
156.09355	9.2
157.08946	0.5
157.10138	8.7
158.10739	0.5
159.08081	0.8
159.11697	3.9
161.09540	1.5
161.13219	0.6
165.06943	2.0
166.07729	1.5
167.08592	5.3
168.09319	2.4
169.10135	23.0
170.10692	2.1
171.08000	0.7
171.11694	21.3
172.12314	1.9
173.09576	1.0
173.13194	1.6
175.11160	0.7
178.07722	1.3
179.08582	4.3
180.09232	2.0
181.10104	6.2
182.10939	3.0
183.11685	5.5
184.12160	0.6
185.09653	0.7
185.13199	2.7
187.11183	1.2
189.12723	0.9
191.08488	1.6
192.09334	3.1
193.10138	7.7
194.10928	4.0
195.11684	7.7
196.12386	2.4
197.13268	4.7
199.14732	0.5
203.08525	2.0
204.09389	2.3
205.10121	4.0
205.12012	0.7
206.10907	4.5
207.11710	8.7
208.12518	3.7
209.11368	0.7
209.13258	11.6
210.14063	2.8
211.11272	0.6
211.14799	6.4
212.15129	0.6
213.12663	0.8
215.08559	1.5
216.09302	1.2
217.10085	3.8
218.10918	3.5
219.11678	7.8
220.12448	3.6
221.13252	13.0
222.13950	2.3
223.11232	1.1
223.14784	11.8
224.15388	1.3
226.13406	0.7
229.10179	2.4
230.11006	2.3
231.11708	6.5
232.12436	4.0
233.13263	10.0
234.13882	2.2
235.14841	5.8
236.15588	1.2
237.12692	2.2
237.16348	2.3
238.16748	0.7
243.11581	2.7
244.12413	2.7
245.13254	9.7
246.14052	4.6
247.14845	8.2
248.15575	1.3
249.16365	3.9
250.16998	1.4
251.14423	1.3
251.17955	2.2
257.13211	2.2
258.14066	2.8
259.14825	7.5
260.15573	5.4
261.16397	11.1
262.16937	1.6
263.14145	1.0
263.17953	1.8
265.19489	10.6
271.14771	1.9
272.15533	1.8
273.16364	5.4
274.17099	4.4
275.17932	13.0
276.18671	7.0
277.19455	2.9
278.16559	1.0
278.19852	0.7
279.17471	6.0
285.16385	1.5
286.17252	2.3
287.17929	3.8
288.18686	1.9
289.19440	3.8
290.19870	0.9
293.15561	0.8
293.18924	5.7
294.19672	2.2
295.16901	1.3
295.20441	1.5
299.17850	0.9
300.18643	0.8
301.16122	0.7
301.19519	12.0
302.19937	1.7
303.21140	3.4
304.21716	1.9
305.22623	4.0
313.19424	0.9
315.21011	1.9
316.21878	8.7
317.22394	1.9
341.22687	0.5
365.11914	0.5
385.21359	0.6
389.50397	0.5
400.24069	0.8
415.26324	91.7
416.26669	11.4
433.27393	100.0
434.27762	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07995	0.8
53.61792	0.8
55.05513	2.2
67.05510	5.0
69.03431	3.8
69.07071	2.6
69.11585	3.5
69.12007	4.2
69.32809	0.8
79.05073	1.0
79.05486	5.4
81.03410	2.0
81.07061	9.2
83.05003	1.1
88.37872	0.8
91.05487	10.0
91.36658	0.8
92.05803	1.0
93.07065	7.9
95.04977	2.6
95.08617	5.7
97.02882	1.4
102.01792	0.7
103.05495	1.0
105.07028	16.1
107.08587	10.2
109.06541	3.0
109.10154	2.3
111.04449	2.1
115.05485	2.7
117.07024	6.7
119.08586	16.6
121.06481	4.1
121.10135	4.7
123.08058	2.2
128.06197	5.1
129.07011	10.8
130.07816	1.9
131.08563	12.5
133.06502	2.1
133.10133	5.9
135.08070	2.7
135.11697	1.4
137.05978	2.6
141.06967	5.9
142.07794	11.2
143.08585	15.1
144.09410	2.3
145.06447	1.9
145.10117	11.3
146.07225	1.2
147.08060	6.3
147.11678	5.3
148.08412	1.4
149.09669	0.9
153.06969	1.7
154.07788	1.5
155.08559	13.3
156.09360	5.9
157.10132	37.3
158.10657	3.0
159.08076	1.9
159.11714	8.9
160.08847	1.6
161.05965	1.2
161.09628	10.6
161.13264	1.0
165.06955	1.8
167.07225	1.0
167.08490	4.6
168.09293	1.9
169.10178	12.2
170.10614	3.0
171.08025	2.6
171.11691	12.0
172.08797	1.5
172.12012	1.9
173.09682	2.9
173.13249	11.2
175.11189	15.2
176.11543	1.2
179.08592	3.5
180.09393	1.7
181.10130	6.3
182.10890	3.0
183.11713	6.2
184.12228	1.0
185.09647	12.3
185.13245	3.2
187.60701	0.8
189.09087	4.8
191.10703	2.1
192.09303	1.1
193.10194	3.3
194.10901	2.5
195.11700	5.9
196.12546	1.8
197.09711	1.1
197.13248	9.4
199.11211	1.2
199.14856	5.4
201.12660	1.1
203.10670	39.7
204.11029	3.9
205.10016	0.9
206.10970	2.4
207.11743	5.5
208.12440	3.5
209.09563	1.5
209.13232	6.6
210.13992	1.5
211.11197	1.4
211.14816	15.4
212.15311	7.1
213.16408	45.2
214.16821	3.2
217.10149	1.8
219.11725	2.3
221.11659	28.8
222.12070	2.3
222.14029	1.2
223.11206	1.4
223.14783	7.4
224.15550	1.4
225.12898	1.4
225.16371	6.6
226.17070	1.6
227.17964	1.4
230.10893	1.0
231.11740	1.2
233.13260	2.2
234.14305	0.9
235.14851	2.9
237.16318	4.5
239.18001	4.0
243.11827	1.0
245.13292	1.6
247.14864	1.4
249.16425	2.5
251.18190	1.5
259.14789	1.6
261.16418	1.3
262.17050	1.0
263.18198	1.7
275.14554	1.0
275.17899	1.5
277.19574	1.9
341.19113	1.2
359.20044	2.7
375.23175	1.1
397.25162	3.6
401.13736	1.1
415.26251	24.7
416.26578	3.2
433.27261	100.0
434.27692	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	15.1
57.07076	17.0
67.05485	16.4
69.07069	19.2
71.08616	7.5
71.32368	14.4
72.45367	5.9
74.69535	6.4
77.66142	5.2
79.05482	13.7
81.07050	26.1
83.04974	25.0
83.08633	7.0
91.05459	19.4
91.96112	6.6
93.07043	22.3
95.04975	10.1
95.08604	47.7
99.61168	5.9
105.03396	15.5
105.07029	31.3
107.08590	25.3
109.10150	13.1
111.04426	8.7
111.09972	6.2
116.86033	6.1
117.91421	6.4
119.08586	44.4
121.10145	15.0
123.08073	12.3
128.06212	8.9
129.07027	14.7
131.08580	18.1
133.10115	31.4
134.67955	5.8
135.07968	6.2
142.07759	12.1
143.08536	22.7
145.10153	32.0
147.11710	9.9
148.18806	6.3
149.09578	9.6
154.12285	14.9
155.08513	16.7
156.09325	35.6
157.10078	35.8
159.11674	25.7
161.13257	13.1
167.08559	6.5
169.10164	18.6
171.11691	63.1
171.15018	9.5
173.13287	10.5
181.10063	12.9
183.11690	15.7
185.13351	14.2
187.11139	10.4
187.14873	8.3
189.12790	18.1
190.15942	6.1
193.10112	9.2
195.11687	17.4
197.13243	14.9
201.16261	7.7
207.11728	16.8
209.13246	11.4
211.14836	21.9
213.16359	15.3
221.13266	14.8
223.14778	20.5
227.14197	7.4
231.11684	8.4
237.16374	7.9
245.13081	9.2
265.19348	8.3
275.17792	8.7
277.19223	9.1
293.22565	9.7
301.19577	14.8
313.27319	25.1
316.21674	13.1
409.39868	7.2
415.26212	100.0
415.31253	8.9
433.22311	12.9
433.26352	57.9
433.31396	37.4
434.27396	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69444	2.4
50.70943	2.5
53.81644	2.3
55.05518	26.1
56.93184	2.4
57.07069	10.1
67.05508	16.7
69.07076	39.1
69.07425	4.5
70.63485	2.5
71.08634	6.8
73.98050	2.4
79.05476	9.0
81.07064	24.4
83.04985	13.5
83.08624	19.8
84.17645	2.4
85.10198	2.8
91.05476	8.8
93.07042	20.3
95.04930	2.9
95.08612	38.5
97.10179	14.4
99.04443	4.0
105.07052	15.3
105.32340	2.5
107.04960	3.1
107.08600	17.2
109.06522	6.7
109.10151	15.8
111.04446	8.3
111.08060	4.8
111.11721	8.9
117.07040	4.4
119.08560	14.2
119.18256	2.4
121.06515	3.0
121.10155	7.5
123.08050	4.7
123.11694	8.4
125.05955	7.6
128.06200	4.2
129.07002	5.7
131.08566	7.0
133.10126	9.2
135.08025	5.1
135.11734	4.3
137.05962	17.9
137.13289	3.1
139.03867	4.7
139.07524	7.8
141.05435	7.1
141.07019	5.9
141.91000	2.5
142.07782	4.3
143.08589	13.6
145.10129	9.5
147.08017	3.1
147.11679	5.6
149.05991	4.9
149.09555	3.3
149.13306	3.7
151.07545	21.1
153.05475	23.8
155.08528	8.0
156.09360	15.1
157.10139	9.2
159.11667	7.1
161.05931	3.4
161.09592	3.4
161.13232	2.6
162.74876	2.5
165.05417	6.8
165.06921	2.8
165.09119	11.8
167.07048	100.0
167.08456	4.5
168.07399	3.5
169.10130	12.7
170.10796	2.9
171.11688	27.4
172.12073	2.7
173.13304	4.0
175.07480	2.7
175.11015	2.7
178.69801	2.9
179.08537	4.3
181.08682	4.2
181.10162	4.8
182.10806	4.1
183.11713	6.7
185.09584	3.2
185.13356	2.9
187.11134	5.9
189.09091	5.1
189.12779	11.2
191.06993	3.8
191.10654	5.0
193.08606	8.0
193.10196	6.0
194.10843	3.2
195.11705	6.7
197.13379	3.4
201.12816	2.5
203.10565	3.0
205.08548	5.9
205.10272	3.3
206.10965	5.0
207.10184	9.3
207.11832	5.6
209.13280	7.4
211.14734	5.7
213.12805	3.2
219.11729	4.1
221.13390	5.7
223.14833	3.2
225.12886	3.1
227.14233	5.4
233.13307	3.9
235.13138	2.8
239.14343	5.5
245.13202	6.2
246.13953	3.4
247.15031	4.1
249.16411	3.7
251.18102	2.7
259.14673	5.4
261.16422	5.4
275.17926	4.2
276.18671	5.4
279.17136	3.5
293.18942	8.2
301.19492	6.2
316.22070	3.2
387.32376	5.3
415.26215	64.2
415.32007	32.8
416.26611	7.8
416.32217	3.1
433.20193	8.8
433.27258	65.8
433.32858	10.7
434.27737	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01866	2.2
55.05511	11.1
57.03439	1.0
57.07074	1.3
59.05006	0.8
65.03941	2.0
67.05503	17.0
69.03419	2.6
69.07064	7.9
71.04983	0.9
77.03908	0.9
79.05488	13.5
80.05355	0.7
81.07054	17.7
82.07430	0.8
82.12047	0.7
83.04983	16.1
83.08622	3.0
85.02931	0.9
90.89879	0.7
91.05479	17.1
91.06349	0.7
93.07040	27.2
94.07291	0.6
95.04964	5.8
95.08604	40.4
97.06516	4.2
97.10176	1.6
98.23377	1.6
99.04466	1.2
105.07028	29.0
105.59573	0.7
107.04963	1.5
107.08590	26.2
109.06532	4.0
109.10155	12.1
109.10833	1.3
110.09417	0.8
111.04431	5.1
111.08083	6.1
115.05483	2.4
117.07014	8.8
119.05001	0.9
119.06134	0.6
119.08578	24.7
121.06509	7.1
121.10139	13.2
123.08062	10.0
123.11717	3.8
123.12550	0.7
125.09614	3.6
128.06187	5.1
129.07005	8.2
130.07800	2.0
131.04922	1.3
131.08569	18.0
133.06540	2.7
133.10121	14.7
135.08046	17.0
135.11707	5.0
137.05998	1.0
137.09625	2.2
137.13278	2.3
139.07539	3.0
139.11157	0.8
141.06964	5.0
141.09138	1.8
142.07794	9.5
143.08554	19.4
144.09256	2.3
145.06493	3.0
145.10124	20.7
147.08035	5.1
147.11687	8.4
149.09627	3.9
149.13242	2.1
151.11169	1.9
153.06996	2.4
154.07799	1.9
155.08560	12.4
156.09348	6.3
157.06535	1.6
157.10124	26.5
158.07262	1.4
158.10829	2.7
159.08051	9.3
159.11690	25.2
160.08815	1.1
160.12299	0.7
161.09650	6.8
161.13260	5.6
163.11166	3.0
163.14813	1.3
165.06952	4.3
166.07791	2.6
167.08537	7.2
168.09377	3.4
169.10117	17.3
170.10873	3.0
171.07999	3.9
171.11693	18.2
172.08867	2.0
172.12344	1.1
173.09599	9.5
173.13249	9.5
175.11134	4.9
175.14838	2.7
177.09093	0.8
177.16496	1.1
178.07777	2.1
179.08527	7.0
180.09334	4.2
181.06596	1.4
181.10115	14.7
182.10941	5.2
183.08035	2.2
183.11681	13.0
184.12375	2.6
185.09634	11.7
185.11322	1.0
185.11641	1.2
185.13214	11.4
186.10254	1.0
187.11169	19.4
187.14767	6.3
189.12730	5.6
191.08621	2.0
192.09331	3.1
193.10158	10.6
194.10896	6.3
195.08084	5.1
195.11688	15.7
196.08788	2.5
196.12440	4.6
197.09550	4.2
197.13252	13.1
198.10332	1.1
198.13951	3.1
199.11169	7.1
199.14806	11.4
201.12743	17.6
201.16405	2.7
202.07777	0.9
203.08539	1.3
203.14427	1.6
204.09349	2.5
205.10175	3.8
205.12022	1.0
206.10872	5.3
206.52791	0.7
207.11697	13.2
208.08847	1.5
208.12401	3.6
209.09615	6.3
209.13225	19.9
210.10368	1.9
210.13976	3.2
211.11211	5.7
211.14798	10.3
212.11987	1.1
212.15410	1.1
213.12758	8.1
213.16353	5.1
215.14345	8.4
217.10112	2.5
217.15796	1.3
218.10886	2.9
219.11687	7.6
219.13803	1.9
220.12505	5.1
221.09665	2.0
221.13243	13.6
221.15294	1.1
222.10364	3.7
222.14041	3.2
223.11208	8.2
223.14758	11.6
224.11990	3.1
224.15445	1.7
225.12753	8.3
225.16321	4.8
226.13400	1.7
227.14293	10.9
227.17851	1.6
229.10156	1.1
229.15868	4.4
231.11682	3.3
232.12390	4.1
233.09692	1.4
233.13261	8.6
233.15402	2.1
234.13980	3.3
235.11194	3.9
235.14803	11.1
236.11931	2.8
236.15610	3.1
237.12749	14.9
237.16310	6.7
238.13287	2.3
238.16988	1.2
239.14282	13.8
239.18019	1.8
240.14754	1.1
241.15813	3.5
241.19609	0.8
243.11761	0.9
244.12457	1.1
245.13277	4.3
245.15407	0.9
246.14043	3.1
247.11209	1.2
247.14815	6.8
248.11971	1.5
248.15488	2.1
249.12650	4.5
249.16394	9.6
250.13535	1.9
250.17017	2.8
251.14299	11.7
251.18005	6.1
252.14896	2.1
253.15804	7.6
253.19540	1.4
254.16130	1.0
255.17453	2.6
257.13208	1.3
257.15558	0.8
259.14798	3.0
260.15646	3.0
261.12677	0.9
261.16309	4.9
262.17114	1.0
263.14532	4.6
263.17667	3.8
264.14990	1.1
264.18646	1.0
265.15881	8.7
265.19385	6.1
267.17477	3.5
269.19083	1.2
271.14673	1.1
273.16434	2.7
274.17072	1.3
275.14502	1.8
275.17929	10.0
276.18619	2.2
277.15887	4.9
277.19522	3.8
278.16638	2.1
279.17416	7.7
281.18988	1.6
285.16357	1.0
287.17868	1.5
288.18762	1.2
289.15939	1.4
289.19342	1.5
290.16507	0.8
291.17447	6.0
291.21045	3.2
292.18155	2.2
292.21597	1.4
293.15643	1.8
293.18994	28.5
293.22125	1.3
294.19455	4.4
295.20645	3.8
297.18729	5.6
297.21655	1.2
301.19568	1.6
303.17487	2.1
303.20926	1.0
305.19025	2.7
305.22342	1.0
306.23331	0.8
307.20578	3.6
309.22067	3.2
315.17340	1.0
315.20813	1.1
316.21710	1.8
317.19000	1.4
317.22296	1.0
319.17139	1.1
319.20602	8.3
319.24106	1.3
321.22086	2.3
323.20221	1.1
325.21841	1.0
329.18930	0.9
331.20602	1.6
333.18433	1.0
333.22141	2.5
334.22943	3.3
335.23660	2.5
337.25323	1.9
359.23859	1.1
387.26791	3.1
388.27020	0.9
389.24774	2.8
391.26392	2.5
397.25388	2.4
405.27243	4.8
405.32385	1.4
406.27884	1.4
415.25836	22.3
416.26294	1.8
433.26712	100.0
433.31790	14.0
434.27185	10.2
434.32806	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.9
55.17648	0.4
67.05509	2.6
69.07076	1.0
70.55681	1.2
73.20402	0.4
79.05476	1.6
81.07031	2.0
81.07478	0.5
83.04989	4.1
91.05461	1.9
93.07051	2.6
93.39845	0.5
95.04968	1.1
95.08579	3.7
97.06501	0.6
98.22923	0.9
105.07017	1.8
107.08597	2.3
109.06451	0.6
109.10112	0.8
111.04442	2.7
111.08067	1.0
112.04667	0.5
116.06247	0.5
116.42934	0.4
117.07011	1.1
119.08601	3.1
121.06460	0.9
121.10113	1.0
123.03393	0.4
123.08049	1.1
125.51565	0.5
128.06189	0.8
129.06998	1.0
131.08559	1.7
133.10081	1.5
135.11644	0.7
141.06966	1.1
142.07739	0.7
143.08565	2.6
145.10066	1.9
146.86557	0.4
147.11736	0.7
149.09480	0.6
153.05440	1.6
154.07590	0.5
155.08556	12.2
155.93027	0.5
156.09245	1.4
157.10135	4.1
159.11687	2.9
161.09616	0.7
165.07037	0.8
167.08580	1.2
168.09291	0.8
169.10141	3.0
171.11664	3.6
172.12453	2.4
172.21378	0.4
173.13190	1.7
177.12762	0.8
179.08508	1.4
180.09305	0.6
181.10158	3.2
182.10991	0.6
183.11679	1.9
185.13171	1.1
187.11203	0.5
192.09291	1.1
193.10159	3.0
193.11668	0.5
194.10869	1.1
195.11647	3.6
196.12425	0.7
197.13211	1.3
199.14824	1.1
201.12701	0.7
205.10159	2.3
206.10910	0.8
207.11620	2.1
208.12483	3.7
209.09666	0.8
209.13226	5.7
210.14084	2.4
211.11104	0.9
211.14810	9.1
212.15173	0.6
213.16382	0.9
215.14377	0.7
218.10858	0.7
219.11734	2.5
220.12408	1.3
221.13217	2.2
223.09152	0.6
223.11241	6.8
223.14780	9.3
224.11629	1.0
226.13484	1.1
230.10786	0.8
231.11600	1.4
232.12352	0.7
233.13164	1.2
234.13776	0.6
235.14737	1.4
237.12875	2.2
237.16319	1.8
238.13539	0.5
238.16992	1.3
239.17842	0.7
244.12300	0.6
245.13263	2.7
246.14008	1.1
247.14761	1.5
249.16306	2.1
250.17070	2.5
251.14359	0.7
251.17961	2.2
255.17430	0.8
257.13141	0.6
258.13855	0.6
259.14725	1.6
260.15475	1.6
261.16397	2.7
261.95422	0.5
263.14288	0.7
263.17914	0.9
264.15012	0.9
265.15619	0.7
265.16147	0.7
265.19525	11.5
266.19873	1.1
271.14966	0.5
273.16226	0.9
274.88107	0.5
275.18048	2.8
277.19388	0.6
279.17438	11.9
280.17807	0.7
287.17740	0.7
289.19260	1.1
293.19052	6.0
294.19754	2.2
295.20444	1.0
301.19431	2.1
303.20618	0.5
305.22574	0.8
316.21661	1.1
319.20444	0.6
330.57846	0.5
333.22299	0.5
337.25024	0.6
359.20047	0.7
415.26163	13.6
415.31204	0.7
416.26608	1.9
433.27200	100.0
434.27603	10.5
434.32935	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	11.5
57.07070	7.0
57.63750	3.6
67.05499	16.6
68.84653	3.9
69.07055	11.9
71.33455	4.7
75.79139	3.6
77.27679	3.9
79.05491	8.9
81.07047	7.4
83.04967	15.8
83.08620	7.1
91.05473	10.6
93.07054	21.5
95.08612	27.4
96.37766	3.8
105.07013	11.7
107.08584	12.8
109.06529	3.8
109.10159	7.5
111.04456	5.9
111.08104	5.8
117.07024	5.4
119.08549	21.2
120.96592	4.7
121.06453	4.8
121.10103	9.3
125.05910	4.9
127.03893	5.7
127.29118	4.1
127.67508	4.5
128.06259	6.6
129.07047	8.8
131.08636	9.0
133.10120	13.1
135.11758	4.3
139.07520	5.9
141.07001	5.6
142.07767	4.7
143.08583	14.7
145.10141	9.8
153.05458	8.8
155.08585	10.1
156.09366	16.0
157.10138	6.3
159.11629	6.0
161.13260	9.3
168.09346	4.4
169.10109	12.0
171.11667	37.6
178.11392	3.9
183.11687	6.2
186.54108	4.5
187.11191	5.7
187.98912	4.5
189.12741	15.4
195.11691	6.7
197.13228	5.9
199.14772	5.7
207.11702	7.6
209.13257	4.9
211.14856	6.1
221.13100	5.5
223.14937	7.2
225.12802	6.3
231.11653	7.4
235.14691	5.1
259.14847	5.4
261.16379	9.8
273.16428	4.3
275.17743	4.6
291.20816	4.6
292.02185	4.2
301.19583	9.9
313.27219	11.7
316.21771	6.0
329.97003	4.1
372.18591	4.1
415.21307	7.8
415.26324	100.0
416.26636	12.0
433.22086	27.7
433.28000	40.6
433.32626	8.1
434.28015	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20975	1.9
53.03954	2.1
55.05519	5.5
67.05505	9.4
69.07081	5.2
71.31043	3.2
79.05508	10.0
81.07055	10.6
81.72534	2.1
83.04987	9.7
91.05470	14.3
93.07045	17.2
95.04994	5.0
95.08607	26.9
97.06556	2.1
103.05479	2.0
105.03420	7.2
105.07026	20.4
107.08601	18.6
107.34138	1.6
109.06509	1.8
109.10188	5.3
111.04488	3.9
111.08099	3.4
114.80587	1.6
115.05433	2.6
117.07045	6.6
119.08578	19.8
121.06509	1.8
121.10173	6.8
123.08084	4.2
128.06250	4.0
129.07037	7.0
131.08591	12.5
133.06535	3.1
133.10126	11.9
135.08107	4.7
135.11697	2.1
141.07039	6.4
142.07759	8.6
143.08574	17.3
144.09361	5.4
145.06464	2.5
145.10129	19.2
147.08109	3.8
147.11737	7.7
153.07060	3.3
154.07837	2.0
155.08574	14.6
156.09328	11.1
157.10129	19.0
159.08076	4.7
159.11684	12.1
161.09659	4.5
161.13312	4.1
163.11098	1.8
165.07097	5.6
166.07700	2.4
167.08629	6.5
168.09389	2.2
169.10120	17.0
170.10907	1.8
171.08163	3.8
171.11708	19.7
173.09688	7.7
173.13303	4.8
175.11259	6.1
178.07814	4.2
179.08640	7.5
180.09343	3.7
181.10133	8.5
182.10912	3.4
183.11650	11.3
185.09692	4.8
185.13326	5.7
187.11168	14.7
187.14851	2.2
189.12830	5.8
191.10739	4.7
192.09254	2.9
193.10139	12.8
194.10941	7.5
195.11713	10.4
196.12440	4.7
197.13272	9.0
199.11163	3.1
199.14914	2.8
201.12820	4.2
203.10565	1.9
205.10208	4.5
205.12358	6.8
206.10970	6.3
207.11754	9.4
208.12514	9.5
209.09697	3.0
209.13208	12.3
210.13948	2.7
211.11253	3.7
211.14809	16.6
212.15509	2.0
213.12791	3.0
213.16359	3.0
215.14436	3.2
217.10291	4.2
219.11745	6.7
220.12611	3.9
221.09732	2.0
221.13254	12.6
222.14053	5.1
223.11298	6.8
223.14818	32.2
224.15350	2.3
225.12758	3.4
225.16371	2.8
227.10649	1.8
227.14317	3.5
229.15912	2.3
231.11763	3.6
232.12488	2.6
233.13275	5.3
234.14110	2.9
235.14835	4.1
237.12807	5.3
237.16475	4.7
239.14374	5.8
241.15883	22.8
243.11668	2.3
245.13278	4.6
246.14122	3.2
247.11223	2.1
247.14780	5.4
249.16479	3.9
251.14487	2.8
259.14868	4.0
260.15628	2.9
261.16461	5.7
263.14468	2.3
263.17871	2.4
265.15933	2.9
265.19611	5.8
271.14795	2.4
273.16299	3.0
275.18021	6.4
276.18484	2.1
277.16034	4.7
277.19382	3.1
279.17529	7.5
287.17868	3.9
289.19559	2.7
291.17453	2.8
293.15585	3.9
293.19067	8.9
294.19525	2.7
295.20462	2.1
301.19516	12.4
305.86966	2.0
315.21036	3.8
316.21802	8.1
319.20630	3.2
321.18530	2.9
375.11215	1.9
387.23157	2.8
397.25345	4.3
407.34039	1.8
415.26337	61.2
416.26736	7.5
433.27426	100.0
434.27585	10.2
451.25049	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64121	0.7
55.05499	2.6
55.93546	0.7
57.03431	1.1
60.51873	0.6
67.05500	3.8
69.07061	2.2
79.05511	1.4
81.07074	4.2
83.04957	1.7
83.08631	1.1
91.05459	2.5
93.07056	5.6
93.27635	0.7
95.04961	1.9
95.08616	8.3
97.06525	1.3
105.07047	3.9
107.08593	3.9
109.10158	2.8
111.08087	1.2
113.00014	4.1
115.05505	0.9
117.07038	1.3
119.08550	4.0
121.06458	0.9
121.10138	2.1
123.08045	1.7
128.06274	0.7
129.06990	2.1
131.08592	3.8
133.10127	2.0
134.35132	0.6
135.11667	1.2
137.19505	0.7
141.07005	1.8
143.08591	2.9
145.10094	3.4
147.11737	1.3
154.07719	1.0
155.08533	5.2
157.10143	3.0
159.11674	2.3
165.07011	1.1
166.07771	0.8
167.08560	2.3
169.02615	4.0
169.10098	5.9
171.08060	0.8
171.11732	2.3
172.08859	1.2
173.09592	1.6
178.07695	0.9
179.08582	2.1
180.09280	1.4
181.06226	0.7
181.10069	3.4
182.10860	1.0
183.11722	2.0
185.09567	3.0
187.11104	0.7
192.09338	1.7
193.10197	3.8
194.10884	2.4
195.11719	2.8
197.13304	2.3
204.09563	0.8
205.10190	1.5
206.10919	3.8
207.11699	6.0
208.12456	1.1
209.09729	1.2
209.13263	4.4
211.14847	2.1
213.12688	1.3
217.10121	1.6
218.10947	1.1
219.11694	3.3
220.12447	1.2
221.13263	8.1
222.10471	1.0
222.14000	1.9
223.11124	1.7
223.14752	1.4
224.11809	1.6
225.12726	2.2
227.14310	2.6
231.11734	2.1
232.12436	1.3
233.13258	2.6
234.13864	0.9
235.14761	2.7
237.12775	4.5
238.13348	0.8
239.14334	7.7
240.14694	0.8
245.13266	2.5
246.14032	2.1
247.14796	3.2
248.15266	0.9
249.16479	1.4
251.14252	1.9
251.18060	1.1
252.15157	0.8
253.15878	1.3
260.15695	1.5
261.16415	2.5
265.15857	1.1
273.16266	0.8
274.17270	0.7
275.17902	4.1
276.18439	1.1
277.15805	1.1
279.17465	4.7
293.18930	5.4
294.19540	0.9
295.20709	1.0
301.19452	0.9
306.84286	1.0
319.20572	1.5
387.23322	0.7
415.26270	6.4
416.26917	0.9
433.27362	100.0
434.27734	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
55.05509	3.3
57.03431	0.8
57.07064	0.5
65.03933	0.6
66.44405	0.3
67.05505	5.8
69.03438	1.4
69.07068	1.7
72.57606	0.4
79.05487	3.3
81.07062	3.9
83.04980	5.7
83.08598	0.4
83.46992	0.4
90.39148	0.4
91.05477	6.0
93.07043	7.8
95.04975	2.0
95.08603	11.7
97.06535	1.1
99.04463	0.4
105.07024	8.9
105.75340	0.4
106.65092	0.4
107.04936	0.7
107.08588	6.0
108.66763	0.4
109.06530	1.9
109.10150	3.0
111.04420	2.8
111.07464	0.4
111.08079	2.6
115.05497	1.0
117.07037	2.1
119.08575	11.1
121.06521	2.1
121.10134	3.1
123.08076	3.4
123.11718	0.7
124.45544	0.3
125.09606	0.5
128.06184	2.0
129.07016	3.6
130.07782	1.0
131.08582	4.6
133.06523	0.9
133.10120	4.7
134.10457	0.4
135.08035	1.8
135.11690	0.9
137.09554	0.5
139.07562	1.7
141.06985	2.2
141.09091	0.4
142.07793	2.4
143.08549	6.5
144.09369	1.0
145.06523	1.5
145.10118	6.1
147.08031	2.2
147.11685	3.9
149.05908	0.5
149.09619	1.2
153.07019	1.2
154.07773	0.8
155.08559	10.2
156.09315	2.7
157.06488	0.8
157.10114	7.0
157.11250	0.6
158.07327	0.4
158.10919	0.4
159.08012	2.2
159.11705	5.1
160.08778	0.7
161.09706	1.8
161.13313	1.5
163.11145	0.7
165.07030	1.9
166.07832	0.8
167.08560	2.6
168.09401	1.0
169.10150	6.4
170.10875	1.1
171.08020	2.2
171.11679	5.8
172.08841	0.8
172.12479	1.3
173.09601	4.2
173.13234	2.3
174.10323	0.4
175.11229	3.1
177.09314	0.4
178.07806	1.1
179.08562	2.8
180.09346	1.8
181.10143	5.1
182.10889	1.4
183.08087	1.8
183.11685	4.2
184.12247	0.5
185.09608	1.8
185.13258	2.1
186.10234	0.5
187.11177	3.9
187.14832	0.8
189.12772	4.0
191.08521	0.5
192.09415	1.1
193.10168	4.0
194.07347	0.5
194.10892	2.4
195.08032	0.7
195.11685	5.9
196.08873	0.6
196.12440	1.5
197.09669	1.4
197.13301	3.8
198.10442	2.0
198.13928	0.6
199.11235	1.8
199.14896	1.6
201.12735	1.9
203.08511	0.5
204.09355	0.6
205.10185	2.0
206.10921	2.4
207.11710	4.5
208.08890	0.6
208.12482	2.8
209.09702	2.5
209.13249	6.3
210.10416	0.9
210.13840	1.9
211.11235	2.0
211.14807	6.7
213.12738	9.9
213.16219	0.5
214.13237	0.8
215.14394	1.6
217.10152	1.2
218.10960	1.5
219.11662	3.5
220.12395	1.9
221.09721	0.8
221.13263	5.3
221.71089	0.5
222.10429	0.9
222.14006	1.3
223.11259	5.7
223.14790	9.0
224.12027	1.9
224.15425	0.6
225.12737	3.9
225.16339	1.2
226.13400	0.9
227.14355	3.7
230.10938	0.7
231.11678	1.4
231.13861	0.4
232.12474	1.7
233.09520	0.5
233.13239	2.8
234.14032	1.6
235.11174	1.2
235.14822	3.2
236.12000	1.1
236.15559	0.6
237.12735	5.5
237.16388	2.4
238.13391	0.9
238.17085	0.6
239.14317	7.5
240.14728	0.9
241.15916	1.4
243.11632	0.5
244.12517	0.8
245.13280	3.4
245.15446	0.7
246.14034	1.1
247.14819	2.7
248.15706	0.6
249.12718	1.2
249.16373	2.1
250.13374	0.7
250.17151	1.7
251.14313	2.2
251.18005	2.9
252.15036	0.4
253.15878	1.7
257.13205	0.9
257.15594	0.5
259.14978	1.6
260.15588	1.1
261.12793	0.8
261.16385	2.6
262.17120	0.8
263.14453	2.1
263.17960	1.2
264.15048	0.6
264.18683	0.6
265.15967	3.3
265.19559	8.3
266.16632	0.5
266.20050	0.8
267.17493	0.6
273.16443	1.5
274.17068	0.9
275.14352	1.2
275.18018	3.8
276.15305	0.6
276.18491	1.0
277.15961	2.1
277.19510	1.8
278.16519	1.1
279.17438	8.3
279.20453	0.7
280.18030	0.4
284.15848	0.5
286.17133	0.5
287.18109	0.9
289.16235	0.5
289.19446	1.4
291.17529	1.7
291.20700	0.5
292.18240	0.6
293.15668	1.1
293.18945	10.0
293.22153	0.8
294.19717	1.8
295.20609	1.4
299.17847	0.6
301.16318	0.7
301.19342	2.8
303.17468	0.6
303.21045	1.1
305.19055	1.1
305.22498	0.6
311.85181	0.5
315.20978	0.7
316.21960	1.5
319.20624	3.4
321.22223	1.1
323.20007	0.5
323.23587	0.6
331.20255	0.5
333.22128	0.5
334.22882	1.1
343.17142	0.5
345.18713	0.5
357.22311	0.5
359.19946	0.8
369.26056	0.6
377.21219	0.6
387.26761	1.3
397.25275	1.8
405.27863	1.3
415.26358	18.3
416.26913	1.9
433.27411	100.0
434.27798	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10854	0.3
53.03949	0.7
55.05513	2.3
57.03438	0.5
67.05511	3.3
68.03326	0.3
69.03441	0.4
69.07063	1.4
69.41960	2.3
71.05002	0.4
79.05480	2.1
79.65384	0.3
81.07070	3.6
83.04981	2.6
83.08618	0.4
91.05485	3.1
93.07049	4.8
95.04974	1.5
95.08607	8.2
97.06551	0.6
98.02636	0.3
99.04456	0.4
105.03416	1.2
105.07032	5.2
107.08598	3.8
109.06513	1.0
109.10199	2.0
111.04476	1.0
111.08088	1.5
115.05416	0.5
117.07021	1.8
119.08589	5.2
121.06516	1.1
121.10120	1.7
123.08072	1.8
126.39291	0.4
128.06235	1.4
129.07022	2.6
131.08559	3.6
133.10135	2.7
135.08063	1.1
135.11679	1.0
137.09647	0.6
139.07584	0.6
141.06981	1.7
142.07780	1.4
143.08568	3.8
145.06505	0.6
145.10135	5.6
147.08089	1.1
147.11723	1.3
149.09622	0.7
153.06985	0.8
154.07755	0.6
155.08545	5.2
156.09256	1.3
157.06535	0.5
157.10143	4.1
159.08089	1.1
159.11696	3.1
161.09645	1.1
161.13260	0.7
163.11177	0.6
165.07030	1.0
166.07814	0.5
167.08612	2.3
168.09276	0.7
169.10135	6.6
170.10857	0.6
171.08037	0.8
171.11713	2.5
172.08778	0.5
173.09601	2.1
173.13240	0.8
173.17184	0.4
175.11237	1.0
179.08540	2.4
180.09305	1.5
181.10120	3.2
182.10863	0.7
183.11699	3.3
184.12244	0.5
185.09612	4.0
185.13263	0.8
186.10164	0.8
187.11180	2.3
189.12758	1.3
191.08632	1.0
192.09314	1.7
193.10126	3.4
194.10953	2.4
195.11705	4.2
196.08878	1.0
196.12544	1.2
197.09744	0.6
197.13197	2.3
198.10341	0.4
198.13506	0.4
199.11180	1.2
199.14906	0.5
201.12842	1.1
203.08601	0.4
204.09337	0.8
205.10057	1.8
206.10880	2.8
207.11687	6.0
208.12366	1.2
209.09659	1.6
209.13240	4.8
210.10393	0.8
210.13814	0.5
211.11246	0.9
211.14830	2.4
213.12756	1.5
216.09331	0.5
217.10097	1.2
218.10851	0.5
219.11707	2.8
220.12477	1.3
221.09895	0.5
221.13254	7.7
221.15334	0.7
222.10432	1.0
222.13916	1.2
223.11203	2.1
223.14777	2.7
224.11989	1.4
225.12726	2.6
227.14275	2.8
231.11725	1.5
232.12419	1.6
233.13211	3.2
235.11153	0.6
235.14888	2.1
236.11867	0.4
236.15331	0.6
237.12761	4.1
237.16435	0.9
238.13434	1.0
239.14310	6.1
240.14786	0.4
241.16023	0.4
243.11763	0.5
244.12466	0.7
245.13278	2.0
246.13994	1.7
247.14769	2.7
248.15450	0.5
249.13052	0.6
249.16385	1.9
250.13516	0.4
251.14221	2.3
251.18034	0.7
253.15880	1.8
255.17575	0.6
259.14877	1.8
260.15683	1.8
261.12698	0.3
261.16422	3.5
263.14407	1.2
263.17856	0.7
265.15939	1.9
265.19522	0.6
267.17435	0.5
271.14865	0.6
274.17102	0.6
275.17926	3.8
276.18686	1.1
277.15903	1.7
277.19513	1.1
278.16681	0.5
279.17429	5.0
279.20313	0.4
280.17969	0.5
291.17517	1.0
291.57263	0.4
292.18198	0.7
293.19025	6.6
294.19586	1.9
295.20615	1.0
301.19516	1.1
303.17526	0.5
305.19040	0.7
313.19449	0.4
315.21008	0.5
319.20517	2.5
334.22971	0.9
387.26968	0.6
397.25797	0.5
415.26340	8.6
415.74954	0.4
416.26816	0.9
433.27396	100.0
434.27753	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
55.05507	8.3
57.03456	1.4
57.07077	1.3
59.19656	1.1
66.59535	1.1
67.05507	9.9
69.07084	3.5
69.58774	1.0
70.37312	2.5
71.63358	1.1
78.66255	1.0
79.05485	7.0
81.07052	7.5
83.04986	21.1
83.08665	1.5
91.05479	11.6
93.07050	15.8
93.07544	1.3
95.05016	4.0
95.08609	23.9
97.06557	1.7
97.62631	1.2
105.07030	15.3
107.04932	1.5
107.08612	9.3
109.06572	4.1
109.10204	4.2
111.04465	9.3
111.08080	8.4
113.06007	1.5
115.05489	2.1
117.07048	5.5
119.08583	10.5
121.06516	1.5
121.10194	4.1
123.08080	5.6
123.11787	1.4
128.06224	8.4
129.07007	8.8
131.08592	7.5
133.05165	1.3
133.10118	8.5
135.11775	2.2
137.06035	2.5
139.07608	4.1
141.06985	7.1
142.07849	4.8
143.08554	15.4
143.09479	1.2
144.09326	1.7
145.10130	8.0
147.08110	2.1
147.10713	1.2
147.11812	4.5
153.06982	2.3
154.07907	1.7
155.08571	7.4
156.09384	10.3
157.10120	11.5
159.11667	5.8
161.09711	2.0
161.13383	1.3
165.07098	4.2
166.07864	3.5
167.08531	7.2
168.09364	2.0
169.10168	11.6
170.10950	2.0
171.11697	29.3
172.12021	1.5
173.13319	2.9
175.11311	2.1
178.07913	3.6
179.08562	7.8
180.09322	3.8
181.10168	7.8
182.10962	3.8
183.08177	1.2
183.11674	8.8
185.09741	2.6
185.13385	4.2
187.11263	2.8
189.12810	2.0
191.08659	3.4
192.09322	8.2
193.10133	12.2
194.10818	5.4
195.11678	12.6
196.12415	2.7
197.13278	10.8
199.14868	2.4
201.12794	1.3
203.08630	4.2
204.09344	5.5
205.10184	7.9
206.10945	6.0
207.11711	13.5
208.12462	3.9
209.13258	10.1
210.14157	2.4
211.11266	2.2
211.14934	5.5
215.08589	1.4
216.09358	2.8
217.10106	8.9
218.10828	7.5
219.11717	14.6
219.13721	1.6
220.12579	4.2
221.13277	9.0
222.14003	2.2
223.11267	1.6
223.14830	9.1
225.12909	3.4
225.16389	2.1
227.14444	1.4
229.10136	1.9
230.11076	5.2
231.11725	10.1
232.12379	9.4
233.09752	1.8
233.13260	15.7
234.13933	6.3
235.14809	9.7
237.12947	2.4
237.16530	4.1
239.14365	1.8
241.10330	1.3
243.11896	3.8
244.12624	3.3
245.13245	10.7
246.14136	4.7
247.11145	1.6
247.14822	13.4
248.15648	2.3
249.12727	1.4
249.16389	14.1
250.17120	3.8
251.14441	1.7
251.18024	6.4
257.13498	3.7
258.14224	4.4
259.14777	9.6
260.12198	1.9
260.15704	5.3
261.12823	1.7
261.16394	14.5
262.17075	3.4
263.14493	1.3
263.18060	3.3
265.15894	2.7
265.19827	2.0
269.13504	1.6
270.13916	1.5
271.14954	4.5
272.15704	1.4
273.16437	8.2
274.13373	1.2
274.17355	3.2
275.14566	6.0
275.18143	23.7
276.15424	2.0
276.18655	12.0
277.16055	4.0
277.19592	6.7
278.20529	1.7
285.16513	2.5
286.17114	1.4
287.18073	4.0
288.18939	2.6
289.16513	1.5
289.19656	4.6
290.20441	3.5
291.17346	1.6
291.21094	1.4
293.15564	3.0
293.19022	3.2
294.16174	1.6
295.17206	3.2
296.17661	1.3
300.18896	1.7
301.16211	2.9
301.19754	10.5
302.20267	1.7
303.17731	2.5
303.21188	2.7
305.19348	1.3
305.22641	1.9
313.19757	1.5
315.21213	2.7
316.18503	2.5
316.22049	9.7
317.22687	1.5
319.17258	2.0
319.20593	1.8
333.18707	2.4
334.19315	1.5
369.25891	1.9
371.23901	3.3
373.21774	1.8
387.23077	2.2
389.24701	8.7
397.21426	2.3
405.27927	2.0
415.26364	100.0
416.26846	9.4
433.27625	38.9
433.37225	1.1
434.28104	3.5
454.50964	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69620	0.8
53.03944	1.6
53.10665	0.9
55.01883	1.2
55.05513	8.3
57.03449	1.4
59.36326	0.8
59.97030	0.9
67.05512	9.6
69.03432	2.1
69.07052	4.8
69.24698	6.0
71.04996	1.8
79.05497	6.7
81.07056	11.6
83.04983	17.7
83.08631	1.9
91.05477	9.5
93.07048	12.4
95.04980	3.9
95.08610	14.6
97.06536	2.1
97.10178	1.6
99.04467	1.0
102.97408	0.9
103.05462	1.3
105.07033	14.0
107.05057	1.0
107.08607	9.6
109.06537	3.7
109.10162	5.5
111.04455	7.8
111.08097	4.1
113.05980	0.8
114.95901	0.9
115.05463	1.9
116.89474	0.9
117.07036	4.1
119.08597	13.7
121.06513	2.8
121.10120	5.2
123.08068	3.4
125.06020	1.2
125.09637	1.8
127.03864	1.0
128.06210	5.2
129.07002	9.9
130.07825	1.5
131.08589	7.1
133.10138	8.4
135.08072	1.8
135.11716	2.2
137.06015	1.6
137.13281	1.1
139.07536	2.3
141.06975	5.8
142.07791	4.2
143.08548	11.9
145.06488	1.8
145.10123	8.6
147.08058	1.9
147.11717	4.0
149.09695	1.8
153.07021	1.6
154.07756	3.4
155.08560	7.6
156.09335	9.6
157.10130	11.4
159.11693	5.7
161.09639	2.7
161.13293	1.8
163.11232	1.1
165.07060	2.2
166.07813	1.1
167.07132	1.9
167.08607	6.1
168.09309	2.6
169.10124	23.8
170.10803	1.9
171.08073	1.4
171.11691	25.3
171.13094	1.8
172.12222	1.8
173.09615	2.0
173.13272	3.0
175.11162	1.2
178.07877	1.8
179.08569	5.7
180.09306	2.3
181.04903	1.0
181.10117	6.7
182.10866	2.1
183.11670	5.2
185.09651	1.8
185.13293	3.8
187.11201	1.2
187.14929	1.2
189.12764	1.6
191.08502	1.6
192.09361	4.0
193.10133	8.9
194.10907	3.2
195.11652	9.3
196.12473	1.9
197.09709	0.9
197.13278	5.3
199.11212	1.1
199.14851	1.1
203.08665	2.8
204.09384	2.8
205.10181	5.9
205.12067	1.5
206.10947	6.6
207.11742	9.1
208.12456	3.8
209.09702	1.3
209.13260	11.2
210.13989	3.1
211.14859	7.9
213.12837	1.6
216.09337	1.6
217.10167	4.2
218.10942	3.5
219.11760	8.3
220.12485	4.1
221.13234	13.7
221.15022	1.2
222.13980	3.7
223.11186	1.7
223.14792	10.1
224.15498	1.5
225.12744	1.0
226.13492	1.2
229.10242	1.8
230.10930	3.4
231.11737	6.4
232.12491	3.5
233.13257	10.0
234.14038	2.5
235.14828	7.2
236.15337	1.7
237.12775	3.0
237.16391	2.9
238.17073	1.5
239.14215	1.2
243.11752	2.5
244.12474	4.4
245.13295	8.6
246.13885	5.6
246.43652	0.9
247.14857	8.9
248.15576	2.1
249.16313	5.0
251.18109	1.5
257.13251	3.0
258.14218	1.6
259.14893	7.2
260.15625	4.9
261.16360	11.3
262.17041	2.1
265.19446	8.9
271.14685	2.0
272.15533	2.2
273.16379	5.8
274.17154	3.5
275.17935	11.6
276.18729	6.3
277.16132	0.9
277.19492	3.1
279.17316	4.9
280.17816	1.4
285.16150	1.0
286.17233	1.4
287.17892	4.3
288.18558	1.8
289.19626	3.6
293.18964	5.4
294.19684	2.1
295.09625	2.5
295.20428	1.6
301.19516	11.0
302.20041	2.0
303.21140	3.3
304.21820	2.1
305.22650	3.8
307.17056	1.0
310.12161	1.5
311.09204	1.5
313.10974	1.1
315.21194	1.4
316.21860	8.9
317.22366	1.4
327.12289	1.3
327.21286	1.2
341.21393	1.5
342.14594	2.3
368.16061	1.1
373.16614	2.5
415.20483	1.6
415.26328	90.1
416.18365	7.1
416.26633	11.0
433.27420	100.0
434.27655	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01868	0.6
55.05507	7.5
57.03425	0.9
57.07077	2.0
58.53748	0.4
59.05005	0.5
65.03956	1.6
67.05507	13.1
69.03422	1.4
69.07066	7.8
69.11304	1.4
69.11717	2.9
71.04994	0.6
71.08635	0.5
77.03929	0.7
79.05492	10.6
80.19543	0.5
81.07057	24.2
83.04980	7.6
83.08616	3.5
85.06541	0.6
91.05474	15.1
93.07042	22.6
95.04953	4.0
95.08606	34.5
96.08956	0.9
97.06532	4.8
97.10181	1.0
98.23367	0.9
98.25671	0.4
99.04452	1.2
103.05518	0.9
105.07030	23.5
106.07365	0.7
107.04980	0.6
107.08595	22.2
109.02845	0.5
109.06513	3.0
109.10158	12.4
110.10487	0.6
111.04439	4.4
111.08088	5.6
113.06030	1.7
115.05476	1.7
117.07028	7.2
119.08575	27.3
120.08839	0.5
121.06503	5.1
121.10142	18.0
121.11008	1.0
122.18277	0.5
123.08079	5.6
123.11708	7.6
124.57673	0.5
125.06027	1.7
125.09666	1.7
128.06186	4.2
129.07008	8.9
129.07883	0.7
130.07796	1.7
131.07564	1.0
131.08563	20.8
132.08943	0.5
132.09409	0.5
133.06537	1.0
133.10130	20.4
134.10489	0.6
135.08067	6.2
135.11690	7.5
137.05988	1.7
137.09645	1.6
137.13284	1.1
139.07503	2.4
141.06973	3.7
141.09097	0.8
142.07779	6.1
142.08768	0.6
143.08560	24.8
144.09370	2.6
145.06523	1.2
145.10124	31.7
146.07315	0.7
146.10727	1.0
147.08058	5.6
147.11681	13.8
148.12144	1.0
149.09599	4.4
149.13249	3.7
151.11192	1.0
153.05450	1.6
153.07034	1.7
154.07765	1.5
155.08549	10.0
156.09363	5.1
157.10127	22.1
158.07327	0.5
158.10881	1.9
159.08047	5.1
159.11687	21.6
159.12955	1.1
160.08914	0.8
160.12460	1.3
161.09621	8.9
161.10881	0.7
161.13252	9.1
162.09972	0.7
163.11232	1.6
163.14856	1.8
165.07104	1.4
165.09145	0.6
166.07758	1.1
167.08578	3.7
168.09352	2.2
169.10138	14.7
170.10901	6.4
171.08093	1.5
171.11685	19.9
172.08855	1.7
172.12227	1.1
173.09631	6.5
173.10899	0.6
173.13255	17.3
174.10266	0.7
174.13705	0.6
175.11209	5.7
175.14835	6.5
177.12846	2.0
177.16437	1.4
178.07770	0.6
179.08607	2.2
179.10683	0.8
180.09393	1.9
181.10109	7.9
182.10889	3.9
183.08151	1.0
183.11687	17.1
184.12450	1.6
185.09720	3.7
185.13254	26.9
186.10469	1.5
186.13745	1.5
187.11185	5.5
187.14813	17.9
188.15211	1.2
189.12785	4.3
189.16388	4.0
191.10626	1.0
191.14406	2.0
192.09294	0.7
193.10126	2.8
194.10835	2.5
195.08141	0.5
195.11700	10.3
196.12384	3.0
197.09659	1.0
197.13260	14.3
198.10469	0.9
198.13864	1.0
199.11267	3.3
199.14819	18.4
200.15266	1.1
201.12732	11.6
201.16388	12.6
202.13307	0.9
203.14284	5.0
203.17941	0.7
205.10239	0.9
205.12242	0.6
205.16013	1.6
206.10971	0.8
207.11703	4.6
207.13551	0.8
208.12389	1.3
209.13258	9.6
210.13792	1.2
211.11241	2.0
211.14819	16.8
212.11972	0.9
212.15376	1.4
213.12827	8.3
213.16356	18.2
214.16917	1.3
215.14339	8.8
215.17902	5.5
217.12325	1.0
217.15860	3.6
219.11810	1.2
219.13913	2.4
219.17439	0.7
220.12439	0.8
221.13310	4.3
221.15286	0.9
222.14006	1.6
223.11212	0.7
223.14803	9.2
224.12099	0.9
224.15460	1.3
225.12846	1.6
225.16383	8.0
226.13646	0.6
226.16937	0.7
227.14339	4.9
227.17880	3.5
229.15848	3.4
231.13931	1.6
231.17390	2.9
232.12540	0.6
233.13303	1.3
233.15446	1.2
233.19080	1.8
234.13893	0.5
235.14845	4.4
235.16922	0.8
236.15617	1.5
237.12781	1.8
237.16373	8.2
238.16942	0.7
239.14401	2.5
239.17856	4.1
241.15915	3.5
241.19582	2.0
243.17577	1.8
245.13303	0.7
245.15494	1.7
247.14854	1.7
247.17110	0.7
249.16370	3.9
250.17233	1.5
251.14378	0.6
251.15370	0.8
251.17952	7.6
252.18562	1.0
253.15973	1.5
253.19432	2.4
255.17357	1.2
255.21307	0.7
257.19186	0.7
259.17105	1.7
261.16437	1.5
262.17139	0.7
263.14389	0.5
263.18082	3.0
264.18842	1.6
265.16528	1.0
265.19507	5.7
266.20273	0.8
267.17563	1.4
267.21207	1.4
269.15671	0.7
269.19031	1.0
273.16110	0.6
273.18805	0.6
275.18015	1.5
277.16580	0.6
277.19507	3.3
278.20386	1.0
279.17874	0.9
279.21173	4.7
281.18945	0.7
289.19525	0.9
291.17969	1.1
291.21054	4.8
292.21631	1.5
293.19217	1.4
293.22614	20.7
294.20142	0.8
294.23056	3.1
295.17181	0.6
295.21078	0.8
295.24271	2.8
297.18527	1.1
301.19519	0.5
303.21069	0.7
305.19263	0.7
305.22726	1.5
306.23276	0.6
307.20776	1.1
307.24216	1.2
309.18741	0.9
309.22159	1.3
311.20233	0.8
311.23706	0.9
317.22766	1.0
319.20840	1.1
319.24283	4.5
321.22180	1.0
321.25858	2.0
323.20340	1.0
323.23657	0.6
331.20581	0.7
331.24265	0.7
333.25848	3.7
334.26480	5.8
335.23669	0.8
335.27234	1.1
337.25351	3.6
345.25769	0.8
351.23123	0.7
351.26855	0.6
355.23755	0.7
359.23615	0.8
359.27560	1.4
363.23105	0.9
373.25143	1.1
377.24921	1.7
387.30530	1.9
391.26486	2.0
397.29028	0.9
405.27533	1.3
405.31683	1.7
415.30029	11.7
416.30679	1.2
433.31174	100.0
434.31482	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00645	1.1
53.03954	3.3
55.01878	1.7
55.05508	13.0
57.03444	1.6
57.07071	3.8
59.04993	1.0
65.03911	2.1
67.05502	25.0
69.03431	2.1
69.07066	12.5
71.04980	1.9
79.05493	17.6
81.06579	2.4
81.07053	39.6
82.22426	1.0
83.04977	17.2
83.08620	4.4
91.05480	24.1
93.07043	36.6
95.04980	6.8
95.08603	52.8
96.08947	1.6
97.02934	1.3
97.06537	5.8
97.10172	2.0
98.23383	2.0
98.98450	2.3
99.04472	1.8
103.05469	1.7
105.04601	1.4
105.07031	44.6
106.07346	1.1
107.08592	32.8
109.06520	6.5
109.10144	19.4
111.04436	7.3
111.08076	10.6
113.06004	2.5
115.05444	2.5
116.06269	1.0
117.07003	12.8
117.07735	1.3
119.08572	40.4
120.08846	1.2
121.06497	6.4
121.10142	24.7
123.08070	9.3
123.11704	10.4
125.05977	1.2
125.09621	2.2
128.06161	5.7
129.07007	13.6
130.07782	3.4
131.08563	34.0
133.06485	1.6
133.10130	27.8
134.10527	1.3
135.08057	10.8
135.11679	10.7
137.05893	1.3
137.09642	2.4
137.13290	1.9
139.07549	4.3
141.06996	6.0
141.09113	1.8
142.07782	10.1
143.08559	32.1
144.09384	5.4
145.06503	2.6
145.10120	41.2
146.10739	1.6
147.08054	8.3
147.11682	19.7
149.09657	5.2
149.13251	5.6
151.11232	1.2
153.05489	4.6
153.07010	2.4
154.07776	2.2
155.08549	15.9
156.09354	9.0
157.10127	35.5
157.11423	1.9
158.10696	3.1
159.08047	5.3
159.11693	32.5
160.08734	1.4
160.12326	1.9
161.09619	12.1
161.13272	14.2
163.11197	3.5
163.14825	2.5
165.07043	4.1
166.07629	1.4
167.08560	9.3
168.09319	4.9
169.10126	27.4
170.10886	7.1
171.08110	2.8
171.11687	28.2
172.08801	3.2
172.12183	2.1
173.09576	8.2
173.13255	22.1
174.10272	1.1
175.11229	7.0
175.14833	10.0
177.12808	2.8
177.16376	2.4
178.07860	2.1
179.08481	4.9
179.10596	1.1
180.09332	3.1
181.10112	17.8
182.10910	7.1
183.08119	2.2
183.11687	26.5
183.13315	1.5
184.12422	1.7
185.09666	7.1
185.13254	38.3
186.10336	2.2
186.13696	2.0
187.11217	14.5
187.12874	1.3
187.13200	1.9
187.14810	21.7
187.16377	1.7
189.12759	9.1
189.16420	5.5
191.08591	1.9
191.14357	2.6
192.09357	2.6
193.10106	8.2
194.10896	5.9
195.11688	19.0
196.12405	5.3
197.09613	2.5
197.13243	20.0
198.10580	1.6
198.13889	2.9
199.11252	5.3
199.14816	22.2
200.15320	1.7
201.12735	13.4
201.16376	17.4
201.18146	1.3
203.14320	4.8
204.09250	1.2
205.10100	2.8
205.12093	1.2
205.15848	2.3
206.10883	2.9
207.11717	10.9
207.13620	2.0
208.12386	3.4
209.09624	3.2
209.13232	19.1
210.10364	1.6
210.13983	2.7
211.11266	2.1
211.14807	27.9
212.12076	1.1
212.15353	1.8
213.12816	11.0
213.16348	20.8
213.18263	1.8
214.16820	2.0
215.14336	12.7
215.17854	6.3
217.12196	2.4
217.15918	4.5
218.10843	1.4
219.11693	5.2
219.13852	2.6
219.17430	1.6
220.12434	2.5
221.13249	10.4
221.15250	1.8
222.10359	1.5
222.13861	2.2
223.11162	2.4
223.14807	12.7
224.15611	2.1
225.12761	4.3
225.16345	11.2
227.14334	9.2
227.17918	5.2
229.15814	5.5
231.11609	2.1
231.13838	3.1
231.17493	3.3
232.12529	1.4
233.13324	5.3
233.15257	2.4
233.19063	2.6
234.13884	1.7
235.11238	2.2
235.14847	9.5
236.12241	1.2
236.15352	2.8
237.12724	5.1
237.16382	10.1
238.17082	2.3
239.14340	7.6
239.17905	6.1
240.15022	1.2
241.15903	2.7
241.19576	2.3
243.17535	2.7
245.13258	2.3
245.15564	1.6
247.14793	3.5
249.16429	7.9
250.17157	4.6
251.14296	2.4
251.17952	8.5
253.15868	3.7
253.19455	3.0
255.17508	1.3
255.21144	1.3
257.19067	1.7
259.14682	1.9
259.17093	1.4
260.15482	1.7
261.16382	4.1
263.14346	1.4
263.17917	5.7
265.16205	2.2
265.19528	10.3
266.19934	1.5
267.17490	2.1
267.21088	2.5
275.17859	6.6
276.18689	1.7
277.15970	1.2
277.19461	5.7
278.20166	2.2
279.17374	3.0
279.21017	4.7
281.18979	1.9
285.18750	1.1
291.17670	2.4
291.21094	7.5
292.18381	1.3
292.21835	1.3
293.19019	9.7
293.22632	30.9
294.19501	2.5
294.23047	3.6
295.16870	1.2
295.20490	1.8
295.24274	2.8
305.19019	1.8
305.22635	2.7
307.20425	2.1
309.18509	1.3
309.22095	2.1
317.19138	1.1
319.20538	2.5
319.24207	4.6
321.22116	1.5
321.25699	2.0
323.23572	1.6
333.22208	1.2
333.25781	3.5
334.26550	6.6
335.26999	1.5
337.25220	2.6
357.26215	1.1
359.27441	2.4
377.24625	2.2
387.30392	2.2
391.26315	3.6
392.46518	1.0
405.27725	3.0
415.26099	9.9
415.30063	11.4
433.26553	26.5
433.31888	100.0
434.32172	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
54.14112	1.1
55.01865	1.5
55.05511	14.1
57.07067	4.3
58.81216	1.3
59.11930	1.1
65.03930	1.7
67.05180	1.8
67.05505	20.8
67.08762	1.2
69.03432	2.3
69.07063	10.2
71.04961	1.8
71.31621	1.7
79.05497	13.2
81.07056	23.1
83.04991	8.9
83.08606	3.9
91.05489	16.5
93.07047	34.3
95.04951	4.2
95.08607	55.2
96.08946	1.5
97.06529	4.0
97.10173	3.0
105.03394	2.3
105.07034	29.4
107.08599	27.2
109.06530	4.8
109.10162	21.4
111.04459	4.4
111.08071	10.3
113.06035	2.1
115.05431	3.2
117.07034	8.0
119.08584	31.0
120.08980	1.4
121.06500	5.6
121.10140	23.3
123.08073	9.2
123.11707	5.9
125.06042	1.8
125.09615	2.3
128.06201	5.7
129.07005	9.1
130.07756	1.6
131.08583	22.8
133.06538	1.5
133.10130	28.1
135.08093	5.8
135.11682	9.0
137.09584	1.3
137.13258	1.6
138.73360	1.3
139.07588	6.2
141.06969	4.5
141.09056	2.0
142.07774	9.0
143.08559	27.0
144.09245	2.0
145.10121	30.6
146.10452	1.5
147.08087	6.1
147.11693	14.5
149.09642	4.5
149.13287	3.5
153.06978	2.2
154.07762	3.7
155.08542	23.9
156.09331	4.5
157.10127	32.0
158.10756	3.5
159.08026	4.0
159.11702	21.2
160.08893	1.5
161.09613	11.6
161.13263	10.0
163.11192	3.3
163.14865	1.9
165.07011	5.4
166.07753	2.7
167.08562	9.3
168.09300	2.9
169.10126	34.1
170.10959	6.0
171.11673	20.4
172.12199	1.7
173.09634	5.9
173.13263	14.6
175.11127	6.1
175.14821	3.6
177.12753	3.2
179.08556	8.1
179.10660	2.6
180.09340	5.4
181.10109	15.1
182.10899	6.7
183.08034	1.4
183.11696	23.0
184.12308	2.1
185.09665	8.0
185.13266	24.5
186.13748	2.2
187.11203	4.9
187.14819	17.9
189.12756	6.0
189.16438	3.5
191.08646	1.7
192.09305	3.2
193.10158	8.7
194.10912	11.6
195.11717	26.1
196.06831	3.3
196.12398	5.6
197.07106	2.0
197.09489	1.8
197.13258	13.6
198.10464	1.6
198.13820	1.4
199.11139	3.0
199.14848	9.9
201.12782	6.4
201.16348	7.9
203.14326	2.9
205.10030	1.9
206.10924	4.5
207.11703	13.8
207.13690	2.6
208.12424	5.4
209.10023	2.0
209.13255	59.8
210.13725	6.4
211.11206	2.8
211.14766	14.3
212.15379	1.3
213.12720	7.2
213.16328	8.7
214.16866	1.4
215.14377	5.4
215.17813	2.8
218.10980	1.7
219.11739	4.5
219.17520	2.0
220.12456	2.9
221.13277	13.6
222.10403	2.2
222.13959	5.5
223.11214	4.9
223.14778	19.3
224.12077	2.1
224.15578	7.7
225.12672	3.7
225.16350	11.3
226.17065	1.6
227.14267	5.7
227.17885	7.4
229.15964	1.7
231.11609	3.1
231.13737	1.6
231.17574	3.2
232.12503	1.6
233.13289	4.5
233.19009	3.8
234.13901	1.8
235.14751	10.5
236.12175	1.4
236.15457	2.5
237.12828	10.4
237.16373	17.1
238.17064	2.9
239.14366	7.0
239.17937	31.4
240.18425	2.4
241.15862	2.1
241.19550	4.7
243.17506	1.6
245.13277	3.3
246.14029	2.1
247.14810	3.4
249.16385	10.0
250.17107	4.6
251.14322	3.9
251.17946	13.6
253.15817	3.2
253.19501	19.1
255.17474	2.1
255.21107	2.9
259.14737	1.9
261.16391	4.4
263.17883	4.9
264.18607	2.0
265.15894	2.7
265.19504	15.3
267.21036	2.1
273.16315	1.4
275.17847	6.2
276.18613	2.0
277.15985	2.5
277.19547	4.9
278.20157	1.7
279.17407	5.4
279.21072	6.6
291.21030	4.9
292.21744	3.8
293.19019	13.0
293.22610	58.5
294.19910	1.7
294.22998	6.1
295.24173	3.1
303.20923	1.9
305.19278	1.7
305.22714	3.3
317.22623	2.0
319.20624	3.1
319.24203	3.7
321.25873	2.8
325.21732	1.9
331.20599	2.6
333.22229	1.5
333.25763	2.5
334.26593	4.8
349.21628	14.7
350.21780	2.1
359.27042	1.5
377.24701	1.7
387.30527	5.4
391.26279	1.8
415.26010	5.4
415.30008	7.9
433.26810	60.2
433.31039	100.0
434.27209	7.1
434.31415	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
55.01873	4.1
55.05513	21.4
57.03440	3.0
57.07073	3.0
65.03939	5.5
65.78587	1.7
67.05176	3.2
67.05505	39.7
67.52742	1.8
69.03429	5.0
69.05464	13.1
69.07071	13.2
71.04999	2.8
72.29726	1.6
77.03931	2.0
79.05496	26.9
81.07058	44.4
83.04977	24.8
83.08611	7.8
84.45360	1.8
85.02877	1.6
85.06530	2.1
91.05479	37.5
91.06013	3.4
93.07042	47.5
95.04974	12.2
95.08607	77.2
95.91042	1.5
97.06529	10.0
97.10160	4.4
99.08104	1.6
103.05433	2.7
105.07029	56.4
107.08593	54.9
109.06508	11.1
109.10150	34.2
111.04434	6.0
111.08073	11.5
113.06030	1.9
115.05448	4.1
116.06264	1.9
117.07003	19.9
119.08578	54.8
121.06491	11.1
121.10133	26.0
123.08076	20.8
123.11699	13.8
125.09646	9.3
128.06221	6.6
129.07004	23.6
130.07793	7.2
131.08563	40.7
132.08867	1.6
133.06485	5.4
133.10132	31.0
134.10432	1.8
135.08044	28.9
135.09076	1.9
135.11696	12.8
137.09621	5.6
137.13245	5.5
139.07552	4.1
141.06984	8.4
142.07779	15.2
143.08568	41.3
144.09291	7.3
145.06468	6.3
145.10121	52.6
147.08023	9.4
147.11705	18.4
149.09578	5.9
149.13268	6.0
151.11159	3.5
152.06129	1.8
153.06990	6.8
154.07794	4.2
155.08554	23.4
156.09335	11.1
157.06436	1.7
157.10126	55.9
158.10796	5.8
159.08076	18.8
159.11682	49.0
160.12102	4.8
161.09625	16.0
161.13237	11.5
163.11189	6.7
163.14822	3.4
165.06989	7.1
165.12730	3.1
166.07782	3.3
167.08562	13.0
168.09332	3.8
169.10127	35.3
170.10875	5.1
171.08069	6.8
171.11679	36.2
172.08821	4.1
172.12335	3.5
173.09645	21.3
173.13242	24.9
175.11208	9.9
175.14830	5.9
177.09097	2.1
177.16399	2.6
178.07758	2.3
179.08543	10.1
180.09317	5.8
181.10107	19.8
182.10884	8.5
183.08096	5.1
183.11710	29.8
184.12369	3.6
185.09602	21.8
185.13211	18.7
186.10385	4.6
187.11183	44.8
187.14796	13.4
188.11481	2.2
189.12767	7.4
189.16425	1.8
191.08583	4.0
192.09323	3.8
193.10149	19.8
194.10886	11.2
195.07990	5.8
195.11719	24.5
196.12387	7.6
197.09569	7.4
197.13264	26.7
198.13998	4.6
199.09631	2.0
199.11121	9.6
199.14835	26.8
201.12752	50.3
201.16360	9.8
202.13097	3.6
203.08540	2.4
203.14296	4.1
204.09184	2.0
205.10117	10.2
205.12057	3.1
205.19521	1.8
206.10837	9.5
207.11693	20.5
208.12398	7.2
209.09612	7.1
209.13239	29.4
210.10199	2.6
210.14005	5.5
211.11243	9.3
211.14798	19.5
213.12740	17.1
213.16345	13.0
215.14310	33.0
215.17830	3.0
216.70010	1.6
217.10092	4.0
217.15901	3.5
218.11005	2.0
219.11665	10.4
219.13667	4.0
220.12463	8.6
221.09732	2.7
221.13260	23.9
222.10388	6.1
222.13972	5.2
223.11317	10.2
223.14816	22.8
224.11940	4.8
224.15398	2.6
225.12746	11.6
225.16373	10.2
227.14359	22.5
227.17944	4.9
229.15892	12.0
230.10872	3.0
231.11620	6.7
231.17488	3.0
232.12523	4.0
233.13222	14.1
233.15417	7.3
234.13945	7.3
235.11121	6.0
235.14833	17.5
236.11778	2.2
236.15581	3.9
237.12799	22.5
237.16306	11.4
238.13367	5.6
238.17155	1.9
239.14272	23.1
239.18019	4.2
240.14995	2.1
241.15895	7.8
244.12456	2.6
245.13297	5.5
246.13976	4.3
247.14798	12.2
248.15388	2.7
249.12645	5.6
249.16426	15.9
250.13531	3.3
250.17067	3.3
251.14304	15.2
251.17981	10.2
252.14828	2.9
253.15910	12.0
253.19516	4.2
255.17447	5.8
257.13138	2.1
259.14664	3.3
260.15424	4.4
261.12881	2.0
261.16400	8.3
263.14301	4.8
263.17953	7.7
265.15924	12.6
265.19385	10.9
267.17468	7.3
269.19016	2.4
270.14026	1.9
273.16400	4.1
274.17169	2.6
275.15021	2.4
275.17892	13.3
276.18463	3.2
277.15912	6.5
277.19299	8.1
279.17456	13.0
280.18002	1.9
281.19025	3.4
283.20544	2.3
289.19406	5.6
290.19998	2.5
291.17389	5.4
291.21066	11.0
292.18182	3.4
293.18976	35.5
293.22232	2.3
294.19547	4.0
295.20605	6.7
297.18433	5.1
301.19357	4.3
303.17569	3.6
305.19009	4.9
305.22543	3.3
307.20682	9.4
309.22186	11.5
313.19604	1.9
315.21021	2.8
317.18991	3.7
317.22443	4.0
319.20837	10.7
319.23990	4.2
321.22040	2.2
323.20087	2.1
323.23676	4.7
331.20450	2.3
331.24094	2.8
333.22223	2.5
334.22955	4.2
335.23645	6.0
337.25354	4.6
341.23175	1.8
345.22049	3.3
373.25052	2.8
375.26910	1.9
387.26712	5.6
387.31061	2.9
389.24725	3.9
391.26212	6.7
397.29156	2.9
405.27420	4.6
405.31616	6.8
415.25165	21.3
415.30087	18.1
416.26276	4.4
416.31055	2.5
433.27112	100.0
433.31320	76.9
434.27365	11.6
434.31607	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
55.01873	4.1
55.05513	21.4
57.03440	3.0
57.07073	3.0
65.03939	5.5
65.78587	1.7
67.05176	3.2
67.05505	39.7
67.52742	1.8
69.03429	5.0
69.05464	13.1
69.07071	13.2
71.04999	2.8
72.29726	1.6
77.03931	2.0
79.05496	26.9
81.07058	44.4
83.04977	24.8
83.08611	7.8
84.45360	1.8
85.02877	1.6
85.06530	2.1
91.05479	37.5
91.06013	3.4
93.07042	47.5
95.04974	12.2
95.08607	77.2
95.91042	1.5
97.06529	10.0
97.10160	4.4
99.08104	1.6
103.05433	2.7
105.07029	56.4
107.08593	54.9
109.06508	11.1
109.10150	34.2
111.04434	6.0
111.08073	11.5
113.06030	1.9
115.05448	4.1
116.06264	1.9
117.07003	19.9
119.08578	54.8
121.06491	11.1
121.10133	26.0
123.08076	20.8
123.11699	13.8
125.09646	9.3
128.06221	6.6
129.07004	23.6
130.07793	7.2
131.08563	40.7
132.08867	1.6
133.06485	5.4
133.10132	31.0
134.10432	1.8
135.08044	28.9
135.09076	1.9
135.11696	12.8
137.09621	5.6
137.13245	5.5
139.07552	4.1
141.06984	8.4
142.07779	15.2
143.08568	41.3
144.09291	7.3
145.06468	6.3
145.10121	52.6
147.08023	9.4
147.11705	18.4
149.09578	5.9
149.13268	6.0
151.11159	3.5
152.06129	1.8
153.06990	6.8
154.07794	4.2
155.08554	23.4
156.09335	11.1
157.06436	1.7
157.10126	55.9
158.10796	5.8
159.08076	18.8
159.11682	49.0
160.12102	4.8
161.09625	16.0
161.13237	11.5
163.11189	6.7
163.14822	3.4
165.06989	7.1
165.12730	3.1
166.07782	3.3
167.08562	13.0
168.09332	3.8
169.10127	35.3
170.10875	5.1
171.08069	6.8
171.11679	36.2
172.08821	4.1
172.12335	3.5
173.09645	21.3
173.13242	24.9
175.11208	9.9
175.14830	5.9
177.09097	2.1
177.16399	2.6
178.07758	2.3
179.08543	10.1
180.09317	5.8
181.10107	19.8
182.10884	8.5
183.08096	5.1
183.11710	29.8
184.12369	3.6
185.09602	21.8
185.13211	18.7
186.10385	4.6
187.11183	44.8
187.14796	13.4
188.11481	2.2
189.12767	7.4
189.16425	1.8
191.08583	4.0
192.09323	3.8
193.10149	19.8
194.10886	11.2
195.07990	5.8
195.11719	24.5
196.12387	7.6
197.09569	7.4
197.13264	26.7
198.13998	4.6
199.09631	2.0
199.11121	9.6
199.14835	26.8
201.12752	50.3
201.16360	9.8
202.13097	3.6
203.08540	2.4
203.14296	4.1
204.09184	2.0
205.10117	10.2
205.12057	3.1
205.19521	1.8
206.10837	9.5
207.11693	20.5
208.12398	7.2
209.09612	7.1
209.13239	29.4
210.10199	2.6
210.14005	5.5
211.11243	9.3
211.14798	19.5
213.12740	17.1
213.16345	13.0
215.14310	33.0
215.17830	3.0
216.70010	1.6
217.10092	4.0
217.15901	3.5
218.11005	2.0
219.11665	10.4
219.13667	4.0
220.12463	8.6
221.09732	2.7
221.13260	23.9
222.10388	6.1
222.13972	5.2
223.11317	10.2
223.14816	22.8
224.11940	4.8
224.15398	2.6
225.12746	11.6
225.16373	10.2
227.14359	22.5
227.17944	4.9
229.15892	12.0
230.10872	3.0
231.11620	6.7
231.17488	3.0
232.12523	4.0
233.13222	14.1
233.15417	7.3
234.13945	7.3
235.11121	6.0
235.14833	17.5
236.11778	2.2
236.15581	3.9
237.12799	22.5
237.16306	11.4
238.13367	5.6
238.17155	1.9
239.14272	23.1
239.18019	4.2
240.14995	2.1
241.15895	7.8
244.12456	2.6
245.13297	5.5
246.13976	4.3
247.14798	12.2
248.15388	2.7
249.12645	5.6
249.16426	15.9
250.13531	3.3
250.17067	3.3
251.14304	15.2
251.17981	10.2
252.14828	2.9
253.15910	12.0
253.19516	4.2
255.17447	5.8
257.13138	2.1
259.14664	3.3
260.15424	4.4
261.12881	2.0
261.16400	8.3
263.14301	4.8
263.17953	7.7
265.15924	12.6
265.19385	10.9
267.17468	7.3
269.19016	2.4
270.14026	1.9
273.16400	4.1
274.17169	2.6
275.15021	2.4
275.17892	13.3
276.18463	3.2
277.15912	6.5
277.19299	8.1
279.17456	13.0
280.18002	1.9
281.19025	3.4
283.20544	2.3
289.19406	5.6
290.19998	2.5
291.17389	5.4
291.21066	11.0
292.18182	3.4
293.18976	35.5
293.22232	2.3
294.19547	4.0
295.20605	6.7
297.18433	5.1
301.19357	4.3
303.17569	3.6
305.19009	4.9
305.22543	3.3
307.20682	9.4
309.22186	11.5
313.19604	1.9
315.21021	2.8
317.18991	3.7
317.22443	4.0
319.20837	10.7
319.23990	4.2
321.22040	2.2
323.20087	2.1
323.23676	4.7
331.20450	2.3
331.24094	2.8
333.22223	2.5
334.22955	4.2
335.23645	6.0
337.25354	4.6
341.23175	1.8
345.22049	3.3
373.25052	2.8
375.26910	1.9
387.26712	5.6
387.31061	2.9
389.24725	3.9
391.26212	6.7
397.29156	2.9
405.27420	4.6
405.31616	6.8
415.25165	21.3
415.30087	18.1
416.26276	4.4
416.31055	2.5
433.27112	100.0
433.31320	76.9
434.27365	11.6
434.31607	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68507	0.6
53.03946	1.4
55.01878	1.0
55.05509	9.0
57.03428	0.8
57.07081	1.1
65.03937	1.9
67.05177	0.9
67.05509	13.3
69.03426	1.3
69.07066	6.8
71.04987	1.1
71.30251	0.8
79.05489	9.1
81.06581	0.9
81.07059	15.8
83.04976	7.8
83.08620	2.5
85.06544	0.7
91.05481	10.4
93.07043	15.3
95.04955	5.3
95.08610	20.4
97.06532	3.9
97.10177	2.5
98.23172	0.7
103.05503	0.7
105.07031	18.7
106.07407	0.9
107.04980	0.9
107.08595	20.6
108.62154	0.5
109.06557	4.0
109.10157	12.6
111.04435	4.4
111.08099	4.2
115.05443	0.9
117.07017	5.3
119.08579	22.5
120.08957	0.6
121.06516	2.8
121.10148	10.2
123.08064	7.4
123.11744	3.7
125.05988	1.0
125.09643	3.5
128.06227	2.7
129.07019	8.3
130.07826	1.3
131.08560	13.7
133.06502	0.9
133.10129	13.2
135.08058	2.6
135.11705	5.3
137.09608	1.5
141.05409	1.2
141.06976	3.7
142.07759	3.9
143.08553	12.1
144.09372	3.2
145.06497	1.5
145.10118	23.4
147.08020	2.2
147.11705	7.8
149.09625	2.9
149.13231	3.4
151.11127	0.6
153.05466	4.2
153.07011	1.8
154.07744	1.8
155.08548	20.4
156.09399	5.7
157.10129	19.3
157.11409	1.0
158.10796	1.2
159.08052	2.6
159.11696	22.9
160.08881	0.7
160.12006	1.4
161.09622	4.3
161.13242	5.7
163.11188	4.6
163.14780	1.0
165.07014	1.9
166.07822	0.7
167.08559	5.3
168.09363	3.0
169.10115	12.3
170.10822	2.1
171.08054	1.1
171.11684	13.8
172.12463	4.1
173.09631	3.7
173.13258	11.3
175.11188	2.7
175.14827	2.0
177.12770	2.5
178.07849	0.9
179.08546	4.5
180.09367	2.7
181.10106	9.4
182.10806	3.3
183.08130	0.8
183.11685	12.9
184.12323	1.4
185.09668	2.9
185.13248	8.7
186.13722	1.1
187.11182	5.8
187.14758	3.7
189.12714	3.1
191.08540	0.8
191.14253	1.0
192.09387	1.4
193.10095	6.1
194.10876	3.7
195.11681	11.0
196.12392	2.5
197.09615	1.8
197.13237	8.6
198.13809	1.1
199.11200	3.3
199.14819	6.8
201.12733	6.1
201.16458	1.7
203.14284	1.2
204.09323	0.8
205.10135	3.6
205.12074	1.2
206.10860	1.9
207.11693	7.5
208.12479	5.0
209.09705	1.5
209.13226	13.8
210.10327	0.8
210.14003	3.0
211.11298	3.5
211.14806	16.4
212.15273	1.9
213.12837	3.3
213.16373	7.5
215.14316	8.9
215.17857	1.1
217.10127	1.4
217.15948	1.0
218.10858	2.0
219.11748	5.0
220.12445	2.5
221.13264	9.6
222.13965	2.3
223.11241	10.4
223.14784	16.0
223.16916	1.2
224.11836	1.0
224.15483	2.1
225.12752	2.5
225.16351	5.7
226.13541	1.8
227.14378	3.4
227.17911	4.7
229.15919	2.0
231.11641	1.9
232.12477	1.5
233.13232	4.1
233.15337	1.3
234.13963	1.8
235.11234	1.2
235.14789	6.6
236.15535	1.8
237.12816	4.0
237.16412	7.9
238.13519	0.8
238.17155	1.6
239.14384	3.2
239.17905	3.5
241.15881	2.1
243.17477	1.3
244.12410	0.7
245.13251	4.6
246.13882	2.8
247.14813	4.4
248.15433	1.2
249.12775	0.8
249.13858	0.6
249.16396	5.3
250.17110	4.3
251.14368	2.0
251.17987	5.6
253.15787	3.7
253.19498	1.7
255.17422	4.8
257.13333	0.8
257.18857	1.3
258.14087	0.8
259.14841	1.6
260.15585	2.6
261.16406	5.5
263.14569	1.1
263.17929	2.9
264.14963	0.9
265.15976	3.0
265.19513	16.6
266.20038	0.9
267.17471	2.7
269.18951	2.7
271.14737	0.8
271.20474	1.8
273.16263	0.8
274.16837	0.9
275.17911	4.2
276.18701	1.0
277.15961	1.4
277.19449	3.0
278.16714	1.4
279.17441	17.6
279.20837	1.4
280.17874	1.5
281.18945	3.2
281.22116	0.7
283.20541	2.2
285.16287	0.9
286.17294	0.7
287.18079	1.1
288.18784	0.8
289.19452	3.0
290.20084	0.9
291.17621	1.4
291.21054	2.4
292.18384	0.8
293.19012	11.5
293.22537	2.0
294.19565	2.3
295.17398	0.7
295.20590	3.5
297.21820	0.8
301.19373	3.7
303.20966	1.0
305.18991	1.7
305.22446	1.4
307.20630	6.2
308.21100	1.0
309.22150	7.4
310.22745	1.0
316.21826	0.7
317.22534	1.2
319.20486	2.3
319.24393	1.5
321.22214	2.0
323.20001	0.7
323.23422	1.2
333.22055	1.2
334.22845	1.0
335.23529	2.4
337.21536	1.2
337.25220	13.8
338.25577	1.3
338.45218	0.7
345.21967	0.8
347.23740	0.7
359.23749	2.1
361.25296	0.7
373.25278	0.9
375.26746	1.6
377.24503	1.1
377.28687	1.1
387.26590	1.0
391.26172	2.2
397.29077	1.4
405.31821	3.8
406.31717	0.8
415.26099	14.8
415.30090	13.9
416.26575	2.2
416.31290	1.0
433.27231	100.0
433.31558	46.9
434.26605	13.5
434.31998	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01876	0.9
55.05514	19.6
57.03437	0.9
57.07076	9.1
62.07053	0.8
65.03954	1.0
67.01852	1.4
67.05509	10.4
69.03397	1.0
69.07069	37.5
69.23094	1.7
69.23512	4.0
70.07375	1.1
71.04987	0.9
71.08629	4.6
79.05493	3.4
81.07054	18.7
83.01334	0.8
83.04968	5.4
83.08617	19.9
85.10170	2.8
91.05478	6.4
93.07045	11.7
95.04945	1.5
95.08608	21.1
97.06535	1.0
97.10166	13.7
98.22567	1.4
98.23254	1.8
99.04460	1.5
105.07036	6.6
105.43968	0.9
107.08570	5.7
109.06528	4.0
109.10152	9.3
111.04444	3.3
111.08078	2.2
111.11723	6.8
117.07039	1.5
119.08563	5.8
121.06501	2.2
121.10138	2.8
123.08060	4.1
123.11710	6.8
125.05987	2.8
125.13304	2.0
128.06229	0.9
129.06966	2.3
131.08569	3.9
133.06509	1.8
133.10121	4.2
135.08058	3.1
135.11713	2.0
137.05980	12.3
137.09604	1.4
137.13248	2.8
139.03920	2.8
139.07564	5.3
141.05490	3.8
141.06996	1.8
142.07770	1.5
143.08591	5.3
145.06476	1.0
145.10085	2.4
147.08066	2.7
147.11705	1.3
149.05965	3.7
149.09608	1.6
149.13240	1.7
151.07544	24.7
151.14714	1.1
152.07932	0.7
153.05463	9.1
155.08566	2.9
156.09315	3.1
157.10114	2.8
159.08057	1.8
159.11685	3.5
161.05986	3.7
161.09621	3.0
161.13287	1.7
163.07497	1.6
163.11142	1.1
163.14845	0.9
165.05486	8.1
165.09117	7.0
166.06154	1.4
167.07040	100.0
168.07390	3.1
169.10138	3.2
171.11671	9.7
173.09604	1.6
175.07573	4.0
175.11241	1.5
177.09084	4.1
178.06181	1.6
179.07069	3.5
179.08592	1.5
179.10655	3.2
181.08575	5.0
181.10048	1.2
182.10887	0.8
183.11659	1.9
185.13313	1.3
187.11192	2.6
189.09140	4.6
189.12758	4.6
191.07054	3.7
191.10680	2.7
192.07741	1.5
193.08591	7.1
193.10181	1.9
193.12302	1.1
194.11002	1.4
195.10112	1.4
195.11694	1.5
197.13206	1.7
198.10385	0.8
198.13789	0.9
201.09128	1.9
203.10635	3.9
205.08578	7.0
205.10286	1.1
205.12291	2.9
207.10110	9.0
207.11729	1.4
208.12445	0.9
209.13264	2.2
210.13910	1.1
211.14801	2.0
215.10651	2.2
217.12244	2.3
219.10135	3.2
219.11957	1.2
219.13658	0.9
221.11470	4.5
221.13548	1.1
223.14824	1.8
227.14345	1.8
229.12274	1.7
231.11659	1.2
231.13861	1.6
233.11722	2.3
235.13211	1.5
237.12637	1.2
245.13164	2.0
246.14034	1.4
247.13167	1.3
259.14706	1.1
260.15555	1.3
261.16431	1.4
275.17905	2.0
275.27747	0.8
276.18634	0.8
277.18030	1.9
279.17514	1.0
291.19617	1.7
293.18933	1.4
301.19418	1.9
305.21194	1.5
316.21835	0.8
333.24084	1.9
387.32550	2.3
397.31033	2.3
399.26971	0.8
405.20532	1.0
415.26254	18.6
415.32050	29.4
415.37732	1.5
416.26855	2.4
416.32336	3.4
433.20792	1.4
433.27286	18.3
433.32877	5.8
434.27753	1.6
434.33289	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01679	0.3
55.01908	1.3
55.05318	0.3
55.05507	1.4
57.07108	0.6
58.97248	0.3
61.67665	0.3
64.28723	0.3
65.03968	0.4
67.05500	2.3
69.07072	1.4
71.05012	0.5
79.05523	1.2
81.07050	1.8
83.01379	0.3
83.05015	0.9
83.08655	0.7
86.18082	0.3
91.05515	0.9
93.07072	1.1
95.08611	2.9
98.22991	2.1
99.00847	0.9
99.04449	4.8
99.05007	0.3
105.07026	1.5
107.04977	0.8
107.08605	1.7
109.10165	1.5
111.04447	4.3
113.02358	0.3
117.07010	0.3
119.08594	1.0
121.10137	0.5
122.07302	1.0
123.08061	1.2
123.11691	0.3
124.05246	0.4
124.08436	0.4
125.06001	13.1
125.09614	0.6
126.02055	0.3
129.06973	0.5
131.08580	0.5
133.10120	0.6
135.08025	0.7
137.06013	0.6
141.05464	6.5
142.07776	0.5
143.08514	0.8
145.10100	0.7
147.11586	0.3
150.06700	1.8
151.07556	9.9
152.04671	2.1
152.07878	4.2
153.05463	100.0
154.05795	2.8
155.08575	0.8
156.09299	0.3
157.10071	0.7
159.11711	0.8
163.11108	0.3
165.06903	0.3
167.07008	0.8
167.08409	0.4
169.10115	0.9
171.11711	0.3
179.08577	0.3
181.10092	0.6
183.11699	0.7
187.11134	0.6
191.10562	0.7
192.11005	0.8
193.10028	0.4
194.10878	0.5
195.11652	0.7
197.13203	0.3
199.19177	0.3
206.10892	0.6
207.11710	0.7
208.12346	0.6
209.13234	0.6
211.14828	0.5
219.11552	0.6
221.13123	0.9
223.11197	0.5
223.14703	1.0
224.27431	0.3
237.12636	0.5
239.14153	0.6
247.14708	0.6
261.15979	0.3
263.17932	0.4
275.17776	0.6
277.19296	0.4
293.18710	0.8
415.25665	0.9
415.30548	0.6
415.34637	1.2
417.27908	3.8
433.26874	4.5
433.32431	23.8
434.27338	0.7
434.32748	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.3
55.01876	0.7
55.05513	1.6
57.07073	0.6
59.04987	0.8
60.21375	0.3
63.92630	0.3
65.03926	0.4
67.05520	1.6
69.07071	2.0
70.07388	0.4
70.17472	0.6
70.17844	0.5
71.04973	0.7
79.05487	0.9
81.07064	2.7
83.04960	0.9
83.08595	0.9
85.06546	2.2
85.39980	0.3
91.05477	1.7
93.07043	1.8
95.04969	0.6
95.08606	3.3
97.10172	0.7
99.00803	0.5
99.04446	3.7
99.08064	0.4
105.07036	1.9
107.08592	1.2
109.06511	0.4
109.10156	2.0
111.04436	3.8
111.08070	0.4
111.11729	0.3
117.07035	0.7
119.08578	2.0
121.10130	0.8
123.08053	0.5
123.11697	1.1
125.06000	11.4
125.09679	0.6
126.06258	0.3
127.11197	0.3
127.85263	0.3
128.06242	0.4
131.08546	1.1
133.10118	0.9
135.11780	0.3
137.06033	0.3
137.09618	0.4
137.13274	0.5
141.05466	11.9
141.07040	0.5
142.07768	0.3
143.08566	1.2
145.10143	1.2
147.08029	0.3
147.11714	0.5
151.11156	0.3
153.05463	100.0
154.05804	2.8
155.08548	0.5
157.10072	0.8
159.11674	1.0
161.09547	0.5
166.07678	0.3
167.07005	1.1
167.08441	0.4
168.07393	0.8
169.07524	1.0
169.10104	0.7
170.07875	0.7
171.08017	0.3
171.11702	0.5
173.13316	0.3
179.08488	0.4
180.09251	0.3
181.10146	0.4
183.11633	0.4
185.13307	0.5
187.14810	0.4
193.10011	0.4
195.11708	0.7
197.13245	0.7
199.14879	0.7
201.16278	0.3
206.10965	0.4
209.13216	0.6
211.14793	0.4
221.13214	0.5
223.14885	0.4
235.14764	0.7
237.12730	0.5
261.16409	0.4
281.28351	2.0
293.18970	0.5
415.26324	0.8
433.27417	5.0
433.33044	38.9
434.27512	0.8
434.33322	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01852	7.7
55.05511	38.0
57.07074	29.4
60.12553	1.2
63.06959	1.5
67.05502	10.4
69.03412	1.8
69.07069	70.3
69.14568	2.4
69.14977	8.0
70.07414	1.2
71.04971	2.7
71.08635	17.6
79.05497	5.0
81.03429	4.1
81.07061	22.2
83.04977	3.5
83.08618	46.5
85.06541	1.9
85.10191	7.5
89.06042	3.5
91.05490	4.8
93.07053	10.2
95.04964	4.3
95.08611	22.1
97.02888	5.1
97.06547	5.3
97.10168	26.2
97.46348	1.3
98.10535	1.3
99.04449	9.1
105.07037	6.7
107.08602	11.3
109.02880	11.7
109.06512	4.1
109.10145	10.0
111.04425	2.2
111.08065	3.5
111.11710	14.7
113.06034	2.2
115.03917	3.2
117.07030	1.8
119.08572	10.3
121.06512	4.1
121.10146	7.7
123.04444	2.2
123.08073	5.4
123.11708	5.9
125.06003	3.9
125.09589	1.6
125.13264	6.8
127.03912	100.0
128.04256	2.4
129.06998	3.2
131.08582	4.0
133.10118	4.5
135.08051	3.5
135.11707	3.5
137.05956	3.6
137.09642	3.6
137.13255	3.1
139.03923	5.4
139.07564	1.8
139.14838	3.3
141.05464	39.5
142.07777	1.7
143.08577	3.7
145.10112	7.0
147.08072	2.8
147.11700	3.4
149.09641	3.9
149.13263	1.6
151.03909	12.3
151.07542	4.3
151.11171	3.0
151.14830	1.8
153.05457	20.1
153.09050	1.7
155.07050	16.5
155.08427	2.7
156.09348	2.3
157.05005	6.8
157.10161	3.9
159.11726	4.2
161.09656	2.4
161.13220	2.6
163.11090	2.1
165.09105	4.5
165.12775	1.6
167.07092	2.1
167.08598	2.0
167.10699	4.2
169.04962	48.7
169.08640	14.0
169.10062	2.9
170.05406	1.9
171.11705	5.7
173.13263	1.5
177.09102	3.7
177.12863	2.2
179.10657	3.1
181.08595	4.0
181.12196	1.4
183.06526	16.5
183.10204	10.9
183.11465	1.8
185.13249	2.7
187.05956	2.0
187.11179	2.1
187.14906	1.3
189.12686	1.7
191.10695	2.7
193.10126	2.0
195.10165	14.6
195.11781	2.2
197.08073	8.6
197.11763	3.9
197.13297	2.1
199.14879	1.8
205.12411	1.5
207.11884	2.3
209.11780	3.9
209.13516	1.7
211.09634	23.3
211.13170	3.2
213.12505	1.7
215.14345	1.8
219.13698	1.4
223.09653	2.4
223.13243	1.7
225.11191	34.3
226.11630	1.7
233.15237	1.6
237.11072	9.5
239.12737	18.0
251.12709	7.3
253.14287	11.5
265.14258	8.8
267.15842	9.4
279.15829	8.2
281.17517	8.8
283.90286	1.5
289.17920	1.4
293.17361	6.9
295.18939	10.6
307.19009	8.5
309.20612	5.4
321.20602	5.8
323.22223	4.6
335.22198	3.4
337.23770	3.2
349.23724	4.1
350.15286	1.6
351.25235	6.0
363.25259	2.4
377.26776	2.6
415.26190	8.8
415.32083	4.4
416.26569	1.5
433.27243	22.4
433.32983	21.4
434.27618	2.1
434.33286	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3676
Annotation	Cathasterone
Peak:m/z	Relative Intensity
50.72821	7.8
55.05510	20.7
57.07068	24.2
67.05499	20.5
68.14376	7.5
69.07058	28.7
71.08624	14.7
79.05518	11.1
80.65948	7.3
81.07064	39.2
83.04980	10.2
83.08613	18.6
91.05484	21.2
93.07037	26.4
95.08597	49.0
97.06512	9.3
97.10173	21.4
105.07030	31.9
107.08596	28.2
109.10162	32.6
111.11761	7.1
115.12938	8.0
119.08580	24.5
121.06496	47.8
121.10143	19.0
131.08527	10.6
133.10133	24.3
135.11700	11.2
145.10129	23.4
152.23634	7.7
157.10072	14.2
159.11650	19.6
160.29762	7.5
161.09679	14.8
169.10132	12.0
171.11629	9.5
173.13257	13.4
195.11659	10.2
221.13257	9.7
229.08353	9.3
355.33395	15.1
374.34195	8.7
379.33762	11.4
397.34793	17.7
415.26398	12.4
415.35712	100.0
416.36404	11.7
433.27307	26.1
433.36874	12.9
436.30988	8.3
456.87946	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89526	2.2
55.01864	13.0
57.03429	22.6
57.70149	2.4
60.94336	2.4
61.02926	15.9
69.03432	35.6
70.44490	6.2
71.01357	2.7
71.52694	2.3
71.62061	2.4
72.41347	2.5
73.02914	42.0
79.05491	5.7
80.54379	2.6
81.03394	6.1
81.07066	2.5
85.02905	100.0
87.04475	4.4
91.03925	5.7
97.02891	55.5
99.04434	4.1
109.02859	5.6
115.03925	26.7
123.04401	19.0
127.03887	26.8
132.06512	4.4
133.04967	39.3
145.04956	49.4
150.07686	5.3
163.06062	17.3
241.07076	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89526	2.2
55.01864	13.0
57.03429	22.6
57.70149	2.4
60.94336	2.4
61.02926	15.9
69.03432	35.6
70.44490	6.2
71.01357	2.7
71.52694	2.3
71.62061	2.4
72.41347	2.5
73.02914	42.0
79.05491	5.7
80.54379	2.6
81.03394	6.1
81.07066	2.5
85.02905	100.0
87.04475	4.4
91.03925	5.7
97.02891	55.5
99.04434	4.1
109.02859	5.6
115.03925	26.7
123.04401	19.0
127.03887	26.8
132.06512	4.4
133.04967	39.3
145.04956	49.4
150.07686	5.3
163.06062	17.3
241.07076	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65063	0.6
53.03956	1.6
55.01868	8.9
57.03440	18.0
59.04990	2.1
61.02927	12.1
69.00291	6.0
69.03430	24.1
71.01356	3.5
71.04992	1.8
72.04527	1.0
73.02918	20.9
81.03417	4.9
85.02905	100.0
86.03262	1.2
87.04462	2.9
91.03945	5.1
97.02895	37.9
98.22547	1.5
99.04465	3.7
103.03954	2.7
105.07035	12.5
106.07379	0.8
109.02876	6.8
115.03928	12.4
127.03915	25.6
132.06584	2.5
133.04962	17.2
135.21959	0.7
145.04958	46.9
147.08014	1.9
150.07645	3.3
163.06023	22.4
169.96063	0.8
171.07986	0.9
201.09132	1.9
223.06062	1.7
231.10181	1.3
241.07124	1.7
259.08237	1.9
285.13379	2.3
293.66266	0.8
338.26303	0.7
409.73950	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	31.7
59.04980	2.0
60.04498	1.6
60.92183	1.8
61.02924	13.0
64.79821	1.8
66.92957	1.5
69.03429	32.6
71.01351	2.7
73.02505	3.5
73.02916	66.0
74.00744	1.4
74.32373	1.2
79.27133	1.8
81.03408	6.6
85.02905	100.0
86.03236	2.2
87.04473	3.9
91.03960	4.8
97.02890	54.6
98.22458	2.5
99.04446	2.6
105.07023	13.3
108.40420	1.6
109.02879	8.5
111.63510	1.6
115.03927	38.0
126.05479	2.5
127.03911	31.4
132.06578	1.6
133.04944	14.8
143.08592	1.8
145.03864	3.3
145.04964	49.8
147.08090	3.4
150.07603	6.2
163.06036	26.0
180.08681	1.7
193.04977	2.2
201.09093	3.1
207.10091	1.7
223.06027	3.1
228.80359	1.8
231.10152	2.0
241.07066	5.0
249.11125	1.8
259.08084	2.7
285.13324	4.7
295.10074	3.0
317.91708	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.9
56.96566	2.2
57.03428	1.8
67.05504	3.8
69.03425	10.5
69.26559	5.7
69.26981	9.0
71.05002	4.6
77.93633	2.0
79.05479	2.1
81.07073	2.0
85.02909	12.0
91.05491	2.9
93.07056	6.3
94.49664	1.7
95.04980	4.3
95.08610	8.8
97.02897	6.7
100.93820	1.7
105.07021	10.9
107.04952	2.0
107.08591	8.9
109.06538	3.4
110.75096	1.7
111.08088	5.0
115.03989	2.1
117.07043	2.1
119.08607	6.7
121.06514	5.0
121.10150	17.4
123.04446	3.8
123.08086	30.9
127.03938	2.8
131.08571	3.0
133.10117	14.9
135.08051	15.5
135.11674	3.3
139.07565	10.8
139.08469	1.7
141.05261	4.5
143.00166	2.2
145.10118	24.2
147.04451	2.9
147.11671	13.2
149.09592	15.9
159.08118	2.4
160.08783	2.1
161.09547	1.9
163.11192	8.4
173.09621	20.1
175.11191	25.1
177.09108	4.1
185.08102	4.9
185.10709	2.1
191.10693	25.5
193.12291	7.7
201.09084	4.1
209.11786	7.6
219.10190	28.5
219.13728	13.9
226.81505	2.1
237.00636	2.4
237.11215	100.0
237.14961	8.2
238.11537	3.6
255.01740	3.4
255.12259	50.3
256.12595	2.7
272.06296	3.0
294.05353	1.8
317.08398	57.0
429.06845	3.1
434.10587	3.1
435.14935	31.5
457.90948	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48907	0.9
53.03932	0.9
55.05503	1.0
57.03433	12.1
61.02913	2.2
69.03423	2.7
69.54731	3.7
69.55138	1.7
70.06579	0.9
71.04990	77.2
72.05299	1.5
73.02899	3.5
75.04476	3.5
79.05487	1.0
81.03429	1.2
81.07054	1.2
83.04970	9.8
85.02901	100.0
86.03247	1.3
87.04463	1.0
87.11604	0.8
91.05475	24.7
97.02909	6.3
98.07429	0.9
99.04449	1.3
103.03938	1.3
105.07026	1.9
107.04969	1.1
109.02940	1.1
109.93084	0.8
111.04459	5.0
113.39702	0.8
123.04418	3.1
127.03922	4.9
129.05472	44.6
133.06473	3.2
137.05988	1.2
145.04959	3.2
145.06549	1.7
145.10085	1.1
146.08125	1.1
147.04547	1.2
147.06509	24.3
159.11621	0.9
161.05966	2.3
163.06087	1.2
163.07458	1.2
164.09169	7.3
166.02080	0.9
175.07565	3.2
177.01987	0.9
186.05400	0.9
189.09047	1.1
201.16409	1.3
207.10162	1.3
209.15462	1.1
219.17403	1.9
226.08559	1.9
245.04506	0.9
255.08765	1.4
260.48007	0.9
272.09189	4.0
273.03586	0.8
273.09543	1.3
309.11728	1.5
322.03876	1.1
435.18347	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.3
57.03430	10.1
69.03433	3.8
69.44429	17.6
75.04473	7.9
81.81770	2.5
85.02899	10.5
91.05486	6.5
95.04966	2.6
97.02896	2.3
98.22691	5.3
103.05478	32.6
105.07047	2.9
107.04968	2.8
110.03648	5.1
119.04950	12.7
121.06532	6.2
123.04408	14.3
123.79557	2.5
125.61391	2.7
127.03941	4.1
128.65724	2.2
131.04924	100.0
132.05286	2.7
137.05974	20.2
138.06760	11.9
147.04453	2.5
148.05167	10.7
151.07518	7.1
161.05925	4.9
163.07542	74.9
163.18921	2.5
165.60521	2.1
166.06264	21.4
173.35802	3.2
179.07037	5.7
181.08611	32.7
204.27856	2.3
207.10217	3.2
219.10207	3.2
237.11211	15.8
249.93355	3.0
255.12270	51.1
314.59619	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.8
55.05509	4.2
56.96559	3.2
57.03423	1.3
61.02938	2.0
65.03928	1.4
67.05508	11.4
69.02765	10.7
69.03431	6.4
69.07059	3.0
71.05005	3.0
79.05474	1.9
80.35939	1.2
81.07058	2.8
83.04977	6.0
85.02911	16.3
91.05477	3.6
93.07043	5.1
95.04965	20.4
95.08594	5.1
97.02886	3.8
97.06520	4.7
99.04464	6.0
105.07040	7.9
107.08579	9.8
109.02842	1.3
109.06524	3.7
109.10178	7.0
111.04424	3.0
111.08101	2.3
117.06995	2.2
119.08597	12.6
121.06477	3.6
121.10107	5.8
123.04404	1.2
123.08051	5.9
127.03929	3.8
131.08580	3.4
133.10091	8.6
135.08058	16.5
135.11691	2.3
137.09633	8.5
139.11157	1.4
143.08589	1.4
144.09279	2.0
145.05002	3.1
145.10114	3.0
147.08176	1.3
147.11684	2.3
149.09613	4.7
149.13229	3.0
150.13513	1.3
151.07561	7.3
157.10161	1.3
159.08018	1.7
159.11707	8.0
161.09619	10.9
161.13258	4.1
165.09065	1.2
173.13277	5.8
177.05553	1.4
177.12749	11.0
179.10628	5.1
189.12740	3.3
191.14354	4.0
201.12810	2.7
219.06607	1.6
219.13799	100.0
220.14136	5.3
237.00745	2.4
237.14842	69.1
238.15140	2.0
255.01767	3.8
272.11252	2.5
273.02850	3.1
291.73685	1.3
317.08398	1.6
343.82254	1.4
381.18896	1.8
429.06854	3.5
435.13718	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01863	1.3
55.05502	1.3
57.03426	1.3
57.07063	1.5
61.02914	1.7
67.05489	1.6
69.03426	4.6
69.07076	2.8
69.13252	0.4
70.85851	0.5
70.86176	0.6
71.04991	0.9
73.02919	0.8
77.03910	0.5
79.05473	2.0
81.03413	1.6
81.07063	5.3
83.04967	1.7
83.08623	0.8
85.02906	13.4
85.06543	1.0
87.04494	0.5
91.03941	0.7
91.05466	2.5
93.07048	8.0
94.07352	0.4
95.04939	0.7
95.08602	5.1
96.08942	0.4
97.02905	4.2
97.06525	1.8
98.21438	0.4
99.04443	1.0
105.07030	7.1
107.04969	0.7
107.08595	14.6
108.08868	0.4
109.02860	1.2
109.06527	2.0
109.10148	2.1
109.36053	0.4
111.08090	1.4
117.07011	1.6
119.08581	4.6
121.06493	4.1
121.10143	8.1
122.10461	0.4
123.08083	2.7
123.11723	0.6
127.03905	2.8
129.07002	0.7
131.08578	7.0
133.10129	7.7
135.04405	0.6
135.08064	4.4
135.11688	12.2
137.05937	1.4
137.09528	0.4
137.13203	0.4
139.07529	0.6
142.07790	0.5
143.08542	0.5
144.09334	0.8
145.04955	4.1
145.06062	0.6
145.06470	0.6
145.10133	4.9
146.10397	0.4
147.04503	0.4
147.11685	3.4
149.09598	3.3
149.13252	7.7
153.09097	1.1
155.08530	0.9
157.10124	4.4
158.10858	0.7
159.08105	2.4
159.11687	17.4
160.12050	1.1
161.09677	0.9
161.13277	2.0
163.06161	0.4
163.07536	1.9
163.11209	2.3
163.14821	16.7
164.15202	0.9
167.07062	0.6
167.08540	0.5
167.10600	0.8
169.10162	0.5
173.09663	4.4
173.13268	14.5
174.13525	0.9
175.11208	1.2
175.14810	1.6
177.09148	3.4
177.12744	10.3
179.14355	1.9
180.08652	2.1
181.10127	0.5
183.11694	2.3
185.09515	0.5
191.14314	19.3
192.14598	1.2
195.13765	4.3
201.12744	25.7
201.16486	1.5
202.13092	1.5
209.15332	4.0
219.13802	100.0
220.14131	6.1
237.14850	47.6
237.18239	1.9
238.15227	3.0
244.74754	0.4
255.15929	1.7
417.17361	0.4
434.20197	0.4
435.20010	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06465	1.1
55.05511	2.9
66.61445	1.1
67.05515	5.4
69.18335	2.4
69.18752	6.4
79.05495	2.2
81.07064	5.0
82.07409	1.6
85.60149	1.3
91.05481	2.2
93.07049	3.0
94.07385	1.7
95.08607	4.6
96.08940	1.5
98.98454	8.1
105.03423	1.3
105.07035	1.8
107.08605	2.5
109.06516	1.1
109.10143	1.5
121.10190	1.4
131.08510	1.2
135.11682	1.9
163.14908	1.7
167.42670	1.3
181.08533	1.4
213.09119	1.5
227.06970	6.7
241.08636	3.5
242.09441	5.3
243.06589	1.8
255.06409	1.5
256.07367	1.8
257.08054	1.8
258.08823	1.3
262.22449	5.1
269.08133	4.3
270.08881	2.4
271.05920	1.5
271.09692	6.5
271.25891	1.3
273.11209	2.9
284.10468	2.6
286.08359	5.5
287.09134	11.5
301.10706	12.0
302.11450	22.4
303.08771	2.1
303.11948	2.9
325.14337	9.5
331.11917	1.6
333.13376	5.4
336.26138	8.6
340.16681	24.3
341.13651	2.9
341.17291	2.8
356.16013	2.1
357.17227	1.4
371.18509	15.9
372.19180	3.4
388.18713	5.6
403.21161	100.0
404.21481	10.7
416.26880	1.8
434.27710	2.7
435.29596	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	9.0
53.56405	6.8
58.06583	7.6
62.98263	9.9
67.05479	8.4
67.33577	6.2
70.06599	16.1
71.32033	10.6
75.81678	6.5
79.05495	9.4
81.07063	22.4
83.05014	8.8
86.09669	10.2
88.07665	7.7
91.05472	7.3
93.07043	14.2
95.04951	6.8
95.08620	17.1
105.03397	49.0
105.07091	6.9
109.10168	7.1
111.49579	8.5
119.08527	7.1
121.10168	8.3
133.10112	11.0
143.08569	7.8
144.89926	6.8
145.10136	8.2
146.11801	10.8
149.02394	15.7
157.10199	9.7
161.09555	7.0
181.08644	14.7
193.05019	9.8
209.13251	9.6
211.48776	7.2
227.07120	14.8
241.12286	9.8
284.29553	12.4
285.11288	9.5
287.08969	10.5
287.16370	14.7
325.14227	12.4
328.32098	30.7
343.15414	27.1
348.14331	19.9
357.16718	11.1
362.11526	7.7
372.34625	14.1
373.09622	13.0
375.18134	13.9
389.19580	85.3
403.17636	34.5
419.13712	9.5
434.16415	35.8
434.27512	11.7
434.32626	13.9
434.38284	100.0
435.20245	21.4
435.29150	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	7.4
69.07085	6.0
70.87509	10.1
71.04993	7.3
79.05496	6.9
81.07056	24.1
85.02907	17.2
91.05490	11.2
93.07037	20.9
93.53031	4.7
94.34783	5.3
95.04951	7.3
95.08620	18.5
105.07017	25.3
107.08606	19.6
109.10113	7.3
110.39928	4.9
119.04876	6.6
119.08569	13.2
121.02827	7.0
121.10148	8.0
125.09611	14.9
127.03917	10.3
131.08530	7.4
133.10141	36.1
137.05997	12.4
143.08542	5.8
143.10686	14.3
145.10178	25.6
147.04387	17.0
147.11696	14.5
149.13280	24.4
159.11732	11.0
161.13275	19.7
167.07079	8.5
167.14325	28.6
191.14233	8.0
201.16354	26.9
203.05305	7.0
219.17424	53.7
220.01604	5.5
220.98189	5.5
237.18385	11.0
255.15868	15.1
272.13388	9.0
273.14520	13.5
287.05649	8.1
288.05756	10.5
434.18771	79.6
435.15201	6.4
435.19986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25164	1.9
55.01884	3.3
55.05512	5.1
57.03429	3.3
61.02927	5.5
65.03936	2.8
67.05509	14.4
69.03442	10.8
69.07058	6.2
70.06590	6.7
71.05003	3.4
71.29935	3.1
73.02910	2.6
74.09756	2.3
75.04476	2.3
79.05495	8.5
79.96970	2.0
81.03425	4.1
81.07058	42.8
83.04964	3.6
83.08623	2.3
85.02905	24.2
85.06558	2.0
91.03942	2.9
91.05479	20.4
93.07062	20.6
93.14172	2.3
95.05008	2.5
95.08620	41.2
97.02897	7.2
97.06528	5.0
99.04473	3.6
99.05585	9.3
100.05910	2.2
105.03407	3.0
105.07038	57.0
106.07380	2.4
107.04959	6.0
107.08602	31.8
108.05271	1.9
109.02863	4.0
109.06544	4.3
109.10166	13.5
111.05580	7.0
111.08086	2.9
113.06016	9.4
117.07037	7.7
119.04954	6.9
119.07779	3.1
119.08587	44.3
120.04473	3.7
121.02878	2.4
121.06541	2.2
121.10156	15.9
122.06121	2.9
123.04434	35.1
123.08078	6.5
123.11699	3.8
124.04881	2.6
125.09633	3.6
127.03908	15.5
129.06932	3.0
130.07710	2.1
131.04958	5.0
131.08559	19.3
132.04465	7.5
133.10107	14.0
134.05997	7.4
135.04436	4.6
135.06421	3.8
135.11696	9.2
137.05992	8.8
138.05502	2.4
139.03889	5.5
143.08556	2.3
145.04985	6.6
145.10135	48.8
146.05936	2.4
146.10446	2.9
147.04399	16.2
147.11717	8.7
149.05977	2.7
149.13234	4.1
151.03868	4.2
157.10117	3.8
159.11700	52.7
161.13260	100.0
162.05403	2.2
162.09189	12.3
162.13655	3.3
163.03955	8.7
163.07512	3.3
163.09500	6.4
163.11183	2.6
163.14825	14.5
165.05527	2.4
173.13295	8.0
177.05556	3.2
177.12852	2.2
189.16426	6.7
191.17938	5.4
201.06909	2.3
201.16402	71.9
202.16724	6.2
203.03532	3.4
205.04924	4.3
205.09819	5.7
206.10086	4.3
218.08179	2.6
219.17453	96.7
220.17813	3.5
233.09273	17.7
234.09534	19.5
237.18504	68.5
238.18935	3.6
247.06169	2.4
272.11273	12.9
275.00998	1.9
285.07538	3.0
315.08664	2.8
363.08817	2.2
388.08966	4.2
417.12466	2.6
434.16510	8.6
434.27402	9.9
435.13358	2.3
435.18744	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.5
57.07064	5.1
67.05493	20.7
69.07066	8.6
69.47724	2.1
73.70547	2.2
75.74297	2.1
79.05504	11.5
81.07056	24.5
83.04982	7.0
83.08637	3.5
85.06587	2.1
86.60015	2.0
91.05472	17.4
93.07043	17.6
93.36332	2.4
95.04965	4.7
95.08049	3.3
95.08609	35.7
97.10164	3.4
98.22789	11.6
99.00808	3.8
105.07030	32.9
107.08587	16.7
109.06525	3.0
109.10168	11.1
109.44845	2.4
111.04423	3.2
111.08067	5.5
117.06991	6.0
119.08585	28.6
121.10135	6.4
123.08031	14.3
124.03006	2.1
125.05930	2.1
128.06252	4.6
129.06998	4.6
131.08566	89.1
133.10138	16.4
135.08112	2.6
135.11696	5.2
137.09625	4.6
137.34831	2.1
139.07553	2.8
139.32999	2.5
140.85248	2.2
141.07043	3.6
141.09126	5.0
142.07790	7.8
143.08574	23.5
144.09204	2.2
145.10130	30.5
147.08086	3.7
147.11707	9.7
149.13200	2.8
153.05496	17.8
153.06638	3.4
154.07750	2.8
155.08554	32.1
156.09305	5.2
157.10143	25.5
158.10683	2.8
159.08051	3.2
159.11684	19.8
161.09637	8.1
161.13245	4.2
162.85898	2.1
163.11238	5.0
167.08528	3.6
169.10120	24.9
169.94917	2.4
170.10490	3.6
171.11674	17.0
172.11896	2.4
173.09654	3.0
173.13303	5.2
175.11244	4.7
179.08540	5.6
179.10701	3.4
180.09309	4.7
181.10159	12.1
182.41216	2.3
183.11688	11.3
185.09676	3.4
185.13231	7.1
187.11162	6.3
189.12782	2.7
192.09366	7.2
193.10100	7.2
194.10927	4.7
195.11708	16.0
196.12332	4.1
197.13275	15.0
199.11061	3.0
199.14732	3.3
201.12872	2.4
206.10895	9.0
207.11707	13.5
207.13492	2.7
208.12373	4.0
209.13243	17.2
211.14795	13.3
219.11713	4.0
220.12564	2.3
221.13315	23.3
221.15340	4.3
222.13855	3.0
223.14845	10.2
224.83615	2.3
229.16002	3.3
234.13878	3.0
235.14815	7.8
237.16350	9.9
239.14246	3.1
239.17892	13.2
241.15952	3.6
247.14752	3.1
249.16451	4.7
251.18002	2.9
255.17397	2.5
261.16315	4.4
263.18011	4.6
275.17896	2.4
276.18521	3.6
277.19513	49.1
278.19876	4.9
281.18994	5.5
295.20425	6.5
296.21271	11.0
303.21213	2.8
318.23349	2.9
371.27383	4.1
387.41342	2.5
399.26929	4.5
416.26312	3.1
417.27948	78.1
417.33350	5.1
418.28186	7.6
434.27664	17.5
434.33029	5.2
435.28946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0923
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
52.51170	0.4
53.03910	0.5
55.01850	1.1
55.05510	13.3
55.62918	0.4
57.03439	5.5
57.07052	0.8
61.02897	1.3
65.03905	0.4
67.05486	0.9
67.23267	0.4
68.99773	1.2
69.03409	1.2
69.07037	1.0
70.06573	1.0
70.85883	1.0
73.02920	13.2
81.03371	0.6
81.07044	0.5
82.06578	7.1
83.04950	1.9
83.08156	0.8
83.08615	11.2
84.08112	1.0
85.02870	1.3
85.06536	0.6
91.05477	2.8
93.03352	0.5
95.04937	0.8
95.08537	0.6
97.02850	0.7
98.09665	1.5
100.07607	3.6
100.11253	37.4
101.67373	0.4
105.07034	0.6
107.04940	0.7
109.02853	0.9
110.06037	4.5
111.00761	0.7
111.04435	6.7
112.07619	2.2
115.03940	1.0
119.04961	4.6
121.02831	1.6
123.04398	1.4
126.09119	1.5
127.03912	10.5
127.08660	2.7
128.07083	3.2
129.40944	0.5
135.04398	0.8
137.02356	5.5
139.08661	4.3
140.07027	1.2
145.10144	0.4
147.04405	17.0
147.11732	0.6
148.04732	0.6
148.40379	0.4
149.02307	0.7
153.01830	4.6
154.07678	0.5
163.03864	1.5
165.01842	3.1
166.15916	0.5
167.06999	0.7
173.05974	1.3
179.03346	0.4
181.04910	0.5
182.15407	23.2
183.02850	1.5
183.04370	0.9
192.13782	1.4
195.02917	2.2
197.09703	0.6
201.05496	2.1
201.09094	1.8
209.16487	20.3
210.14888	24.4
211.15350	0.5
215.10599	0.7
217.05042	0.5
219.02887	0.8
219.06738	0.4
225.09096	1.2
226.16901	0.7
226.19124	12.8
227.17485	0.6
228.15942	2.3
229.04988	4.8
230.05312	0.5
233.07951	0.6
243.10202	0.8
247.06038	1.0
257.04434	3.0
285.03915	1.3
285.07251	0.5
287.05444	0.5
299.05551	0.7
302.03961	0.5
303.04974	100.0
304.05325	6.3
306.23767	0.4
308.23569	0.5
309.25226	0.6
315.05051	4.4
316.05646	0.6
327.04974	1.5
329.06589	0.6
335.24329	2.3
336.22787	14.7
337.22794	0.5
341.06570	0.7
345.05948	4.1
353.06677	1.2
369.05957	1.1
375.07217	0.6
381.05969	1.0
399.07077	3.6
417.08081	1.7
417.32104	2.6
435.09387	2.6
435.33292	33.0
436.33676	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.5
56.79291	0.4
57.03436	5.2
61.02915	1.9
64.08699	0.4
68.99786	1.0
69.03423	1.0
69.62589	2.5
73.02919	12.7
74.33374	0.5
81.03419	0.7
83.08588	1.6
85.02890	1.5
89.02662	0.4
95.04967	0.4
97.02908	0.7
100.11260	0.6
105.01854	0.8
107.04967	0.5
109.02874	0.6
111.00792	0.6
115.03966	1.0
121.02860	1.3
127.03938	0.6
137.02335	4.0
145.04941	0.5
147.04424	1.3
153.01825	4.2
163.03825	0.8
165.01828	1.8
183.02957	0.6
201.05467	1.9
209.16377	0.5
229.05000	5.1
229.08444	2.0
231.44626	0.5
241.31224	0.4
246.05154	0.5
247.05994	0.6
255.10176	0.6
257.04462	2.6
273.11197	5.0
274.04572	0.6
285.04007	1.2
303.04980	100.0
304.05316	7.7
315.04962	1.5
327.05066	0.6
330.87671	0.5
345.06055	1.3
399.07153	1.8
417.08270	0.9
435.09735	1.0
435.16150	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0921
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
55.01867	2.6
57.03436	2.6
61.02914	0.9
68.99809	0.9
69.03412	1.9
70.84415	2.3
72.42610	0.9
73.02918	1.5
85.02908	1.7
109.02865	1.4
111.00832	1.2
121.02885	1.1
133.04987	1.6
137.01434	0.9
137.02316	5.4
153.01814	3.9
153.04210	0.9
165.01843	2.0
169.70424	1.0
181.08513	1.7
189.09076	1.3
201.05457	1.9
209.70799	0.9
229.04942	4.9
257.04443	3.0
303.04980	100.0
304.05435	5.0
315.04974	3.7
345.06293	2.4
353.06207	1.1
369.05215	1.1
399.07059	2.5
416.47391	1.0
417.07938	1.6
435.08832	1.6
435.19748	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0923
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
55.01865	1.4
57.03436	5.1
61.02922	1.6
68.99792	1.4
69.03426	1.4
69.82672	1.8
71.01340	0.5
73.02917	8.2
85.02888	1.6
93.03385	0.5
95.04981	0.8
96.38771	0.3
97.02860	0.5
109.02834	0.7
111.00829	1.1
115.03942	0.9
121.02866	1.7
123.04414	0.7
127.03916	0.8
131.04921	0.5
133.04990	0.6
135.04469	0.5
137.02353	8.5
137.03410	0.5
144.61238	0.4
145.06461	0.6
149.02356	1.2
153.01808	5.3
161.05994	0.5
163.03905	1.4
165.01842	3.6
173.05943	1.0
179.03345	0.6
183.02913	1.0
185.05972	0.5
187.03949	1.1
191.03406	0.5
195.02927	0.7
201.05470	2.3
203.03366	0.6
206.13513	0.4
215.03331	0.4
227.44408	0.4
229.04962	5.0
241.04854	0.5
247.06148	1.0
255.06554	0.6
257.04456	3.3
258.04861	0.4
271.05850	0.4
272.07101	0.5
274.04849	0.4
285.03979	1.6
299.05548	1.2
302.04312	0.7
303.04984	100.0
304.05325	5.7
315.05008	9.4
316.05521	1.2
327.05038	2.1
329.06509	1.7
339.05011	0.9
341.06451	2.3
345.06049	6.3
353.06653	2.4
357.06085	0.8
369.05972	5.0
381.05832	2.8
399.07104	8.9
399.12265	0.5
400.07480	0.7
417.08160	3.8
435.09308	3.3
435.20129	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.01862	3.5
57.03433	7.2
65.03951	1.7
67.05495	1.8
68.99847	13.1
69.03429	68.6
71.04986	6.7
73.02911	2.2
75.04483	17.1
79.05481	4.4
79.82036	1.0
81.03403	3.7
81.07038	1.9
83.04979	1.6
85.02907	15.2
90.82761	1.0
91.05467	3.0
95.04958	5.1
95.08607	1.3
97.02892	1.2
97.06535	1.2
105.07061	1.0
107.04956	100.0
107.08583	1.6
108.05283	2.4
109.02936	2.5
109.10204	1.4
111.04446	4.3
117.04959	1.2
119.04940	4.9
121.02876	9.5
121.10194	1.5
123.04462	5.5
125.02372	1.2
125.06019	1.7
127.03881	2.2
129.05449	1.9
131.04921	3.6
135.04405	17.8
137.02289	1.7
137.05959	2.2
139.03874	4.2
141.06990	1.2
145.02812	2.3
145.06496	1.4
147.04396	7.8
149.02333	7.8
149.05917	1.2
151.03876	3.4
153.01833	13.3
153.06918	1.8
155.08575	1.8
157.06451	2.5
159.04352	2.2
161.05978	1.7
163.03891	8.5
165.01840	26.4
165.06982	3.1
169.06412	1.6
171.04384	1.6
173.02348	13.1
173.05954	1.7
177.01852	9.6
177.05428	2.5
179.03394	4.5
181.04953	2.8
181.06396	1.5
183.02922	7.1
183.08076	2.7
185.05981	1.8
186.03035	2.6
187.03899	5.2
187.07579	1.3
189.01762	1.8
189.05431	1.5
191.03377	13.0
193.01271	1.6
193.05011	2.8
195.02895	29.0
197.05934	1.7
203.03398	5.9
205.01328	1.1
207.02876	3.3
210.06758	1.9
211.07591	3.3
213.05489	2.5
215.03410	10.8
215.06973	8.7
217.04930	5.9
219.02875	18.4
219.06458	3.4
221.04428	2.5
223.07552	1.1
225.09090	1.6
227.06956	1.5
235.07666	1.3
237.03841	2.3
238.37907	1.1
239.07030	19.4
240.07553	1.2
241.04961	4.9
242.05675	3.6
243.06482	8.8
245.04465	14.2
247.06010	2.1
253.08650	4.7
255.06500	13.7
257.08081	8.6
261.03830	1.5
263.05414	20.2
263.07758	1.4
267.06564	15.2
269.07977	1.4
271.05984	7.5
279.06549	2.0
279.10175	1.6
281.08426	13.8
283.05991	4.3
285.07553	14.8
286.07950	1.2
289.06961	9.0
293.08200	2.2
295.06015	8.6
297.07553	2.2
299.07700	3.5
301.06995	5.3
303.04987	3.4
307.09680	5.2
309.07556	24.1
310.07831	1.4
313.07050	7.9
325.10764	1.9
331.08130	10.8
335.09091	5.7
337.07117	8.7
339.08426	1.3
353.10208	11.4
354.10309	1.1
355.04034	1.6
355.08112	16.5
363.08667	2.4
371.11081	2.0
381.09537	11.7
399.10825	10.9
417.11771	5.6
435.12811	12.6
436.13556	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1284
Annotation	Isoinnovanoside
Peak:m/z	Relative Intensity
53.03951	1.6
55.01878	2.2
57.03441	8.2
68.99797	2.8
69.00578	9.1
69.00977	2.0
69.03430	69.1
71.04977	6.3
73.02914	2.6
75.04480	13.9
79.05489	3.9
79.27505	1.0
81.03410	3.2
81.07055	1.5
83.04987	1.2
85.02897	14.5
91.05473	2.5
95.04960	3.5
98.23407	1.5
105.04485	1.2
105.06977	1.2
107.04956	100.0
108.05296	1.5
109.02871	2.2
109.10197	1.6
111.04436	3.4
119.04951	3.5
119.42836	1.0
121.02849	8.2
123.04414	4.8
125.05954	1.2
129.05481	1.4
131.04935	2.4
135.04420	15.0
137.05986	2.1
139.03911	4.6
145.02971	1.1
145.06480	1.8
147.04407	4.3
149.02312	8.1
149.05951	1.7
151.03922	2.5
151.07533	1.9
153.01817	14.0
153.05409	1.8
155.08658	1.2
157.06534	2.3
159.04456	1.2
159.08057	1.2
161.02423	1.2
161.05983	1.2
161.17725	1.0
163.03896	8.7
165.01842	24.3
165.06993	2.6
166.02063	1.1
167.07109	1.8
173.02327	12.6
173.05942	2.1
175.03896	2.6
177.01817	8.6
177.05400	1.7
179.03348	4.7
181.04929	2.9
181.06476	1.7
183.02867	5.6
183.08072	2.7
185.05969	1.9
186.03119	1.8
187.03922	3.7
187.07481	1.1
189.01810	1.7
191.03412	13.2
193.04977	3.4
195.02895	27.7
197.05916	1.5
203.03386	5.8
207.02808	1.5
207.08105	1.3
211.07477	3.9
213.05421	2.7
215.03421	8.5
215.06917	5.8
217.04947	3.0
219.02925	14.0
219.06491	2.3
225.09088	1.2
226.06332	1.7
227.06825	2.0
239.07014	19.8
241.04996	4.6
241.08684	1.8
242.05658	3.3
243.06546	7.8
245.04405	12.8
247.06125	1.2
251.06935	1.3
252.07835	1.8
253.08513	5.2
255.06543	12.8
257.08102	9.5
258.08469	1.7
261.03976	2.2
263.05435	21.6
267.06509	13.1
269.08005	1.6
271.05981	6.8
272.06393	1.8
279.06561	1.6
279.10056	1.3
281.08359	13.6
283.05923	4.8
284.06793	1.3
285.07562	16.8
289.06964	7.7
293.08096	2.3
295.06000	8.3
296.46625	1.3
297.07574	2.0
299.07602	1.3
301.07080	3.6
303.04901	2.1
307.09628	4.7
309.07568	22.8
313.07098	8.8
325.06839	1.6
325.10596	1.4
331.08099	10.7
335.09192	6.5
337.06989	7.2
353.10266	12.9
355.08090	18.4
356.08655	1.2
363.08508	2.4
371.11188	2.0
381.09579	12.6
399.10757	12.6
417.11676	7.3
435.12930	15.9
435.19052	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1285
Annotation	Isoinnovanoside
Peak:m/z	Relative Intensity
53.03944	0.5
59.43007	0.3
64.64174	0.3
65.03938	0.8
68.76450	0.2
69.03426	1.8
69.89972	0.3
81.03411	2.5
85.02901	0.7
91.05479	8.3
97.02882	0.4
109.02879	1.5
119.04945	19.0
120.05246	0.3
127.03915	36.8
128.04280	0.7
147.04407	100.0
148.04747	3.5
165.05479	3.1
291.08630	5.5
292.08945	0.4
309.09692	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83558	0.2
53.03944	0.6
55.01860	0.3
65.03931	1.5
69.03431	2.6
69.13895	1.6
69.14291	0.5
81.03426	1.0
85.02892	0.5
91.05476	12.2
91.32689	0.2
91.35743	0.2
92.05785	0.3
97.02892	0.5
98.23318	0.4
109.02879	1.0
119.04938	26.7
120.05272	0.8
127.03909	57.4
128.04230	1.4
133.91600	0.2
147.04399	100.0
148.04745	4.3
152.24486	0.2
161.09607	0.4
165.05475	0.7
168.27570	0.3
203.07011	0.3
207.10153	0.6
231.06236	0.2
289.09332	0.3
291.08646	2.3
297.02731	0.3
309.09668	1.0
435.19931	0.3
435.25330	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
53.32959	1.6
55.01868	2.2
57.03448	9.0
60.09374	1.7
61.02942	2.4
68.99780	5.1
69.03431	73.3
71.04994	4.9
71.29694	1.8
75.04483	5.9
79.01900	1.9
79.05482	3.5
81.03420	4.9
85.02898	20.5
86.61929	1.6
91.05479	4.1
93.03436	2.0
95.04974	5.2
97.02880	2.1
97.06498	1.9
97.43169	1.6
99.04482	2.3
103.16257	1.7
107.04953	100.0
108.05309	3.6
109.02893	3.4
111.04457	6.3
111.97032	1.9
119.04937	4.1
121.02840	13.3
121.06482	2.8
123.04423	11.6
125.06001	2.6
127.03914	3.6
129.05473	3.0
133.06517	2.2
135.04405	26.0
139.03946	5.7
145.02779	3.5
147.04401	7.7
149.02319	5.7
151.03918	6.3
153.01802	10.5
156.29604	1.9
159.04414	2.7
161.06003	4.2
163.03905	15.6
165.01814	27.4
165.06990	2.8
173.02357	18.7
175.03883	2.9
177.01851	10.4
177.05461	4.6
179.03403	4.0
181.04958	2.7
183.02921	7.3
183.08070	4.7
185.06061	2.4
187.03941	4.6
187.07477	1.9
191.03392	16.5
192.62985	1.7
193.05045	3.6
195.02887	33.7
199.07556	2.3
203.03407	8.7
205.05025	2.0
207.02879	3.2
211.07597	4.1
213.05615	3.0
215.03448	6.6
215.06934	3.7
217.04968	4.6
219.02917	17.0
219.06552	4.5
221.04324	3.0
237.03952	2.9
239.07010	20.5
241.04970	7.3
242.05701	3.7
243.06592	7.3
245.04503	15.8
251.07132	2.1
255.06418	18.9
257.08069	10.0
261.03842	3.4
263.05487	31.4
267.06503	19.6
279.06668	3.0
281.06107	2.4
281.08038	8.3
283.06039	8.9
285.07654	21.7
286.07672	1.9
289.07077	3.3
293.08090	4.8
295.06079	8.0
299.07684	5.2
307.09610	5.0
309.07480	17.1
313.07077	9.9
325.10727	2.1
331.08118	13.2
335.09155	6.1
337.07065	6.1
353.10123	17.1
354.10379	2.0
355.08057	11.3
363.08588	3.8
381.09732	10.5
399.10760	13.4
417.11758	8.2
435.08032	2.0
435.13013	20.4
435.18384	3.0
436.13022	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90594	3.5
59.82217	3.0
69.51995	15.8
69.52402	7.8
72.08139	4.4
76.93575	3.3
85.02905	13.3
86.09708	3.7
95.04990	4.9
97.02921	4.1
98.22678	7.5
99.79636	3.2
102.64804	3.7
108.95836	3.4
111.04427	3.7
119.04950	5.2
120.08124	6.3
123.04424	100.0
127.03922	5.5
129.08997	3.9
137.06007	3.4
139.03922	40.5
147.04388	12.8
163.03860	5.1
165.01862	18.9
177.01866	5.7
183.02939	5.1
191.03438	6.7
195.02893	22.9
195.86768	4.1
205.05017	3.8
213.15901	4.0
219.02870	9.6
261.04004	5.8
273.07608	33.2
285.07431	10.5
315.08463	8.3
339.08563	6.4
369.09677	4.7
435.19849	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1285
Annotation	Isoinnovanoside
Peak:m/z	Relative Intensity
53.03944	0.5
55.01879	0.7
57.03432	1.0
61.02924	0.4
65.03941	0.9
69.03429	3.4
69.10793	2.7
69.11206	0.5
71.04992	0.8
73.02917	0.9
79.05489	1.2
81.03417	3.5
81.07058	0.6
85.02914	3.4
89.35394	0.4
91.05479	9.8
93.07041	0.6
95.04987	0.5
95.08612	0.8
97.02888	2.0
97.73505	0.3
98.22641	0.6
103.05487	0.7
105.07031	14.0
106.07365	6.8
107.04961	0.6
107.08579	0.5
109.02872	1.4
115.03919	0.5
117.06991	0.5
119.04943	22.0
119.08559	0.7
120.05291	0.6
123.04419	1.4
127.03912	38.2
128.04254	0.8
129.06984	0.4
133.04945	0.9
133.10158	0.5
133.47881	0.3
134.05225	0.3
135.04404	0.7
143.08575	0.3
145.04935	1.2
145.10124	0.5
147.04405	100.0
148.04735	3.3
161.09500	0.4
163.03912	0.8
165.01904	0.6
165.05493	2.0
167.03342	0.3
167.07092	0.4
181.04919	1.1
195.02905	0.9
201.16341	0.8
202.16667	0.5
219.02881	0.8
219.17422	1.1
220.17857	0.5
254.47818	0.4
283.06061	0.5
285.07672	0.5
291.08646	4.5
303.04996	0.5
309.09668	1.8
435.10568	0.4
435.17944	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.2
55.05511	83.3
56.05848	1.4
57.68018	0.5
67.05518	0.6
69.44609	1.9
69.45019	1.5
81.07070	1.1
82.20921	0.5
83.04980	100.0
84.05322	1.8
91.05471	0.7
93.07026	0.8
95.08604	1.5
95.36671	0.5
98.22659	0.8
105.03400	1.4
105.07024	1.3
107.08599	0.7
109.10166	0.7
117.07043	0.6
119.08629	1.1
123.08121	0.9
129.07025	0.6
131.08609	1.1
135.11636	0.6
145.10129	0.6
147.08080	0.7
155.08528	0.9
157.10059	0.9
159.11719	0.6
169.10101	0.8
171.11720	0.8
207.08113	1.0
207.11627	0.7
219.11807	0.7
221.06062	0.6
222.06755	0.7
235.07524	4.4
239.07005	1.1
239.14473	0.6
249.05373	1.2
250.06258	11.1
251.06850	2.0
252.04169	1.2
253.04865	0.8
263.06955	4.0
264.07806	2.4
265.08527	1.6
266.05789	1.5
267.06573	1.1
275.07040	1.1
276.07892	1.8
277.05109	3.6
277.08038	0.6
278.05731	16.0
278.08817	1.2
279.06354	3.1
280.03717	1.5
280.07080	0.6
288.14603	0.6
291.06485	4.9
292.07278	6.3
293.08060	46.1
294.05219	1.9
294.08499	2.6
295.06030	10.1
295.09363	0.6
295.20734	0.9
296.21292	0.8
303.06528	1.5
306.05392	1.3
307.05850	2.9
308.06732	1.0
309.07504	2.7
320.06818	2.7
320.10394	1.1
321.07571	13.2
322.08167	4.4
323.05524	17.7
323.09140	2.5
324.05823	1.4
335.09097	3.8
336.09879	15.6
337.06961	5.6
337.10385	0.9
338.07782	14.3
339.08270	1.2
344.10562	0.6
347.08908	0.9
351.08585	1.3
352.09366	3.0
353.10187	36.2
354.10437	4.0
360.09842	0.9
375.12167	0.8
388.09418	0.7
403.11707	1.6
407.14853	0.8
420.12024	14.1
421.12415	1.5
435.14374	50.3
435.28659	10.9
436.14697	5.5
436.28952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.2
53.03950	1.4
55.01859	1.8
57.03417	0.9
61.02915	0.8
67.05492	0.9
68.99777	1.7
69.03430	2.0
70.87919	0.6
71.04977	2.1
71.30515	1.0
76.72889	0.6
77.03931	0.9
79.05497	1.6
81.03394	1.5
83.04968	0.9
85.02897	6.3
86.24593	0.6
91.05504	2.2
93.03401	1.0
95.04950	2.3
96.71906	0.7
97.02895	3.6
97.35237	0.7
103.03943	1.9
105.03375	1.7
107.04941	3.9
109.02885	1.9
109.06490	0.8
111.04458	0.6
115.05374	0.9
119.04934	6.0
119.75679	0.6
121.02802	1.6
121.06517	1.0
123.04428	100.0
124.04762	2.3
127.03915	41.2
128.04297	0.8
129.05420	1.0
133.06575	0.6
135.04402	8.0
137.06039	1.2
139.03893	10.1
147.04408	25.3
148.04764	1.1
149.05977	2.4
151.03900	12.2
159.04413	0.8
161.05998	2.9
163.03903	46.1
164.04251	1.8
165.05481	16.1
166.05840	0.8
169.04906	0.8
175.03906	9.7
177.05458	7.2
179.03503	0.8
179.07057	1.0
181.04953	1.9
185.05998	0.6
187.03947	5.1
189.05527	3.9
193.04959	5.4
201.05470	2.4
203.03398	0.9
205.04965	23.5
206.05180	0.9
207.06519	1.9
217.04936	8.6
229.04962	3.7
231.06566	1.5
235.06032	3.7
240.13034	0.8
241.04987	1.1
247.06003	7.8
249.07770	1.4
259.05991	1.9
265.07040	5.4
273.07526	4.4
277.07053	3.6
283.08203	4.5
285.07526	3.7
289.09314	1.3
291.08908	0.8
297.07550	2.1
298.84564	0.8
303.08450	3.3
315.08655	6.1
327.08676	1.5
339.08658	1.8
357.09592	4.0
369.09525	1.8
381.09799	2.4
399.10745	1.1
417.11774	2.0
435.12787	1.3
435.18497	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1651
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03938	1.0
55.01874	2.0
55.05506	3.0
55.63443	0.9
57.03450	1.3
62.39669	0.8
65.03937	8.8
67.05510	4.5
68.99773	1.2
69.03429	8.8
69.07059	1.5
69.23725	4.8
71.04986	1.7
73.02926	1.3
75.04482	1.2
75.09288	0.9
75.92787	0.8
78.04700	1.2
79.05497	9.7
81.03409	3.7
81.07053	2.7
82.04195	2.3
83.04979	1.6
83.08625	1.7
83.93452	0.8
85.02894	6.9
85.06574	0.8
90.77986	1.0
91.05488	9.7
93.03397	3.2
93.07043	3.2
95.04954	4.2
95.08595	2.3
97.02888	1.8
97.06528	4.2
100.11256	6.2
103.05448	2.3
105.07037	3.5
106.04163	1.5
107.04959	24.0
107.08601	1.3
108.02073	0.9
109.02879	1.1
109.06515	1.6
109.10115	1.5
110.03673	4.5
111.04454	2.7
115.05430	4.5
116.06229	1.9
117.07032	5.7
119.04935	7.2
119.08563	2.2
121.02887	1.2
121.06518	2.8
121.10172	1.5
123.00825	1.2
123.04410	6.0
124.05219	3.6
125.06015	3.3
127.03913	15.6
128.06200	1.0
129.07019	2.8
131.04941	2.5
131.08582	3.8
133.06496	2.3
135.04364	1.8
135.11749	1.0
137.05978	2.5
138.03114	2.1
139.03850	1.0
139.08604	1.0
140.04665	1.0
141.07014	2.8
142.02640	2.8
144.05751	3.6
145.06502	9.4
145.10153	1.2
147.04411	25.4
147.08061	2.3
148.04807	1.0
149.05962	1.7
152.04684	1.3
153.01811	1.6
153.05455	2.9
153.12894	0.9
155.04942	1.2
155.06004	2.0
156.05719	0.9
157.06497	3.9
159.04372	1.3
159.08092	3.2
161.05983	6.4
163.03923	1.5
163.11169	0.9
165.01814	2.1
165.05505	1.5
166.02585	1.7
167.07047	50.7
168.07358	1.8
171.04338	1.0
171.06554	2.9
172.05203	13.4
173.06039	7.5
175.03894	1.0
175.07527	2.8
177.05531	1.7
177.09145	1.4
177.12631	1.5
181.04962	100.0
182.05351	3.7
182.15469	2.5
185.05922	1.1
187.07529	8.7
189.05435	3.0
190.06206	2.1
191.03421	1.5
191.06981	2.5
191.10645	3.3
193.08597	1.1
195.02852	2.1
195.06535	1.9
200.04642	4.4
201.05502	6.3
205.08493	5.2
206.05782	3.0
207.08353	0.9
207.10197	1.2
209.08105	2.6
210.14874	3.8
213.05382	1.6
217.04959	1.5
217.08653	2.6
218.05710	7.7
219.02808	1.1
219.06398	2.0
219.10095	5.4
220.17679	1.0
221.08047	7.8
231.06442	1.9
233.08080	72.2
234.08342	3.1
235.07578	1.1
235.09544	1.4
236.81485	1.0
241.46756	1.0
245.08104	3.1
247.07625	1.1
251.09135	3.3
263.09222	11.0
265.08481	1.2
268.21661	1.2
273.07516	1.0
279.09979	1.5
281.08035	1.0
285.07755	1.0
289.05984	1.8
292.07254	1.1
293.07935	1.2
295.09515	1.3
303.04950	2.3
307.09756	1.4
309.07556	2.7
323.09109	1.3
331.08078	1.1
335.09183	1.8
337.06689	1.0
339.12326	1.7
349.10510	0.9
353.10385	1.3
355.07797	1.0
355.11688	3.3
367.11758	2.6
371.14734	1.2
372.11945	1.1
381.13571	2.2
383.53854	0.9
384.11975	1.1
387.14331	8.4
399.14557	6.0
417.15491	31.0
418.15829	2.6
435.20584	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1836
Annotation	Lonchocarpic acid
Peak:m/z	Relative Intensity
50.89039	0.3
53.03952	0.4
57.03432	0.6
59.80576	0.3
61.02916	0.4
69.03427	1.8
69.35854	1.9
70.06599	0.4
71.04977	0.6
81.07057	0.6
85.02891	1.9
90.14298	0.3
90.50668	0.3
91.05483	0.5
93.07046	0.5
95.04951	0.7
95.08613	0.6
97.02924	0.8
105.07039	0.7
107.04943	4.1
109.02834	0.4
109.06496	0.4
119.04971	0.5
121.06520	1.0
123.04422	3.5
124.07566	0.7
127.03939	1.5
133.06552	0.4
135.04327	0.4
137.05928	0.5
147.04407	0.7
149.05998	0.8
161.05954	0.4
163.03894	0.7
163.07565	1.0
166.06207	0.4
177.05507	1.1
178.05785	0.5
180.53676	0.3
181.05054	0.5
181.06931	0.6
181.08597	8.2
181.10141	0.5
213.05373	0.4
223.07626	0.5
227.07162	0.4
233.08008	0.5
239.12657	0.4
239.16518	0.6
251.07088	1.0
255.06601	1.2
257.10202	0.6
267.06586	1.2
273.07666	1.0
273.12274	0.7
279.06503	1.1
297.07675	1.0
303.14169	4.2
313.07281	0.4
321.07452	0.5
351.08679	0.6
386.88547	0.3
399.10812	1.0
435.18350	100.0
436.18698	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16232	0.3
55.01844	0.3
55.77378	0.3
65.24589	0.3
69.03414	1.0
69.64347	1.3
70.06591	0.4
75.42770	0.3
78.58418	0.3
79.29355	0.2
81.07030	0.4
85.02901	1.5
91.05483	0.7
95.04986	0.3
97.02853	0.6
97.06553	0.3
105.06990	0.8
107.04978	0.6
119.04947	0.8
119.08593	0.3
120.08049	0.3
121.49536	0.3
123.04421	0.9
126.90297	0.3
127.03909	1.0
133.06493	1.1
133.10033	0.3
135.04549	0.3
137.05980	1.9
147.04401	2.7
149.06113	0.3
150.01654	0.3
151.03886	0.3
161.05995	0.3
163.06183	0.3
163.07521	0.4
165.09061	0.8
169.06355	0.3
177.05457	0.4
181.08649	0.6
195.02960	0.4
207.10214	0.4
212.30576	0.3
217.89340	0.3
237.18382	0.4
238.11635	0.3
255.12627	0.5
257.13779	0.8
270.13724	0.3
283.05884	0.3
303.14066	4.3
435.18344	100.0
436.18683	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82107	0.3
54.71372	0.3
55.01889	0.3
55.05497	0.3
55.11743	0.3
59.38630	0.3
65.03943	0.3
69.03422	0.5
71.31626	0.5
79.05491	0.6
80.37540	0.3
81.07055	1.1
81.77419	0.3
91.05484	1.0
93.07051	0.5
95.04982	0.5
95.08614	0.9
97.06497	0.3
103.05468	0.6
105.07037	0.7
106.04170	0.5
107.05002	0.3
107.08554	0.5
109.10181	0.4
117.07058	0.6
119.04966	0.6
119.08572	0.5
121.06505	0.8
123.04440	0.5
127.03938	0.6
128.06197	0.3
130.07628	0.3
131.04950	0.4
132.62598	0.3
132.89485	0.3
133.06511	0.4
133.10115	0.4
137.05971	1.2
147.04425	1.3
147.08067	0.3
149.05997	0.7
149.09624	0.4
151.03966	0.7
151.07559	0.4
155.08525	0.4
159.08041	0.5
161.92679	0.3
163.07587	0.3
167.07056	0.5
181.04924	0.4
181.08603	0.5
185.04271	0.5
193.08589	0.5
193.10283	0.3
203.05222	0.5
209.08148	1.2
270.05042	0.4
273.14645	4.2
285.07605	0.5
349.12363	0.8
391.13571	4.6
409.75894	0.3
435.12869	9.2
435.19861	100.0
436.13263	0.7
436.20197	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1989
Annotation	Arg Glu Met
Peak:m/z	Relative Intensity
53.03930	0.3
57.19315	0.2
60.53796	0.2
62.36111	0.3
63.03665	0.3
67.05487	0.3
69.03426	0.9
79.05509	0.5
81.07053	3.5
85.02879	0.3
85.06567	0.3
91.05464	1.0
93.07050	0.3
95.04970	0.7
95.08565	0.3
97.02876	0.4
98.23377	0.6
105.07044	0.9
109.06511	1.4
109.07163	0.3
117.07044	0.3
119.08580	0.5
121.06495	0.5
127.03944	0.4
128.06209	0.4
129.07025	0.4
131.08527	0.7
133.06482	0.5
135.04398	0.3
137.05962	3.1
143.08594	0.3
145.06454	0.9
145.10144	0.5
146.07285	0.3
147.04433	0.7
147.08075	0.6
155.08586	0.7
159.08070	1.2
159.11711	0.8
161.06024	0.3
161.09634	0.4
161.13220	0.3
165.07013	0.4
169.95938	0.3
171.08107	0.5
173.09637	0.9
175.07573	0.3
179.08559	0.5
181.10118	0.4
183.08026	0.5
185.04202	0.5
185.05928	0.3
189.09090	0.4
193.10242	0.3
195.08142	0.4
195.11821	0.3
197.09627	0.7
201.03725	0.4
201.09116	0.6
203.05258	6.0
203.07024	0.6
204.09502	0.3
207.09982	0.4
207.11757	0.3
209.09653	0.4
211.07602	1.3
211.11191	0.3
223.11276	0.4
227.10649	0.8
235.11275	0.3
237.09111	0.5
241.12280	0.4
250.09883	0.3
251.10686	0.8
252.11383	0.5
255.10944	0.4
255.13608	2.0
263.10663	0.3
265.08435	0.4
273.14587	1.3
279.13818	0.4
347.16293	0.6
371.16486	0.5
389.17557	0.9
391.20407	0.4
399.15900	1.0
407.18298	0.5
417.16891	1.9
435.19882	100.0
436.20181	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1989
Annotation	Arg Glu Met
Peak:m/z	Relative Intensity
63.69479	0.2
67.05492	0.3
69.03436	0.3
69.06107	1.9
77.93858	0.2
79.05515	0.3
81.07059	1.0
91.05487	0.5
95.08611	0.3
100.11241	0.4
105.07029	0.5
107.08598	0.3
109.10167	0.2
115.71473	0.2
117.07044	0.5
119.08627	0.4
131.04982	0.2
137.05980	0.9
143.08536	0.2
145.10161	0.2
147.04422	0.3
155.08630	0.2
161.09570	0.3
167.08470	0.2
173.09676	0.2
175.11288	0.3
181.04927	0.2
185.04234	0.5
195.11717	0.3
205.80620	0.2
209.16788	0.2
210.14865	0.3
237.12740	0.3
255.13657	0.3
273.14612	2.9
275.13260	0.2
338.16168	0.2
435.19882	100.0
436.20200	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	11.6
69.03431	21.3
69.25882	17.3
70.03771	4.5
71.04999	2.8
73.02929	5.1
79.05503	3.0
85.02902	36.6
86.03259	5.8
87.04475	14.0
88.04815	2.9
91.05491	13.9
95.04942	3.8
97.02902	22.0
98.03246	4.0
98.23328	5.0
103.05482	4.3
105.06379	3.0
105.07002	15.6
106.07354	8.7
107.04955	6.9
108.08039	2.9
115.03923	25.2
116.04269	8.7
119.04955	8.6
121.02887	4.2
121.06537	4.9
123.04444	6.0
126.05418	2.9
127.03899	5.3
128.04297	3.6
129.07019	7.5
131.04913	4.7
133.04991	23.6
133.06482	4.8
134.05272	7.9
135.04440	4.9
137.05968	32.8
145.04974	4.2
145.06441	4.1
146.03552	2.6
146.05191	2.8
146.07257	3.3
147.04381	7.3
147.07991	2.9
149.06053	3.7
151.07544	20.4
157.06453	4.8
161.05984	100.0
161.09624	25.1
162.06355	3.8
163.03900	4.4
163.07539	7.7
165.01859	10.6
174.06726	4.4
175.07507	9.0
177.01797	3.0
189.09100	60.8
190.09581	3.7
191.03412	7.4
195.02919	19.8
195.08101	4.5
207.10176	74.9
208.10480	3.1
219.02979	13.1
219.10130	3.0
219.48596	2.6
221.06100	3.3
223.07611	3.5
231.02893	10.6
243.03125	2.8
243.30740	2.6
253.08784	3.0
255.10243	3.5
261.03961	8.3
285.07559	9.4
285.11069	2.5
287.12814	13.2
297.07504	4.4
304.33640	2.8
313.14355	8.8
315.08640	3.9
331.15408	7.4
339.08679	6.8
351.08737	5.0
381.09854	3.2
399.10889	3.4
405.19016	3.2
435.20148	3.0
439.51816	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2503
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
50.86217	1.1
53.03954	1.5
55.05506	6.8
57.03429	3.2
57.07066	2.5
67.05505	18.9
69.03416	1.4
69.07076	8.3
69.22820	7.6
71.04989	1.6
72.92143	1.1
79.05488	8.7
81.07054	22.4
83.04976	4.0
83.08620	4.3
85.06528	1.6
91.05470	9.6
93.07031	14.2
93.19082	1.1
95.04942	3.1
95.08609	22.6
97.06538	3.1
97.10189	2.2
98.98471	16.4
105.03387	3.4
105.07045	15.8
107.06036	1.1
107.08591	12.1
109.06507	6.9
109.10163	8.6
111.08095	4.1
117.06992	2.8
119.08573	13.2
121.06524	2.8
121.10134	9.1
122.49198	1.2
123.08050	7.4
123.11658	2.8
125.09642	1.7
128.06219	1.8
129.05510	1.1
129.07002	2.9
130.07808	1.4
131.08574	8.3
133.10124	10.9
135.08023	3.0
135.11681	4.7
137.05980	2.0
137.09570	2.3
137.13251	1.7
141.07011	2.5
142.07744	2.2
143.08574	7.2
145.06458	1.2
145.10117	10.2
147.08049	3.2
147.11708	5.7
149.09668	1.7
149.13335	1.2
155.01042	3.1
155.08490	5.4
156.09334	3.1
157.10117	11.7
159.07996	1.7
159.11707	10.7
161.09650	3.9
161.13274	4.0
163.11156	1.6
163.14844	1.3
163.81880	1.0
165.06992	1.8
167.08575	2.3
168.09308	2.3
169.10107	7.9
170.10905	1.9
171.11687	7.6
172.65494	1.1
173.02016	1.7
173.09642	2.9
173.13269	3.3
175.11156	2.7
175.14799	1.5
179.08572	2.2
181.10101	4.8
182.10854	2.0
183.11726	6.7
185.09676	2.3
185.13246	5.1
187.11070	1.2
187.14818	2.7
189.12758	3.2
193.10159	4.1
194.10844	1.8
195.11691	6.2
196.12474	1.6
197.13292	7.6
198.10335	1.2
199.11183	1.4
199.14854	3.4
201.12735	1.4
207.11688	4.2
208.12424	2.0
209.13249	6.0
211.11166	2.0
211.14871	4.5
213.12761	4.2
213.16330	2.9
219.11671	1.6
220.12474	1.6
221.13280	6.1
222.13837	1.5
223.14891	5.9
224.15373	1.5
225.12726	3.1
225.16391	3.0
227.14423	2.1
229.15834	2.7
233.13382	1.6
235.14777	3.4
237.12628	1.1
237.16376	3.4
239.14287	6.2
239.17998	2.2
241.15892	6.3
245.22588	1.9
247.14876	2.5
249.16367	1.9
251.17975	2.9
253.15950	3.7
255.17384	5.0
261.16315	2.7
263.18018	2.7
263.23633	3.4
267.17361	2.6
267.21075	1.6
275.17880	1.3
277.16068	1.1
277.19507	4.0
279.17358	1.4
281.18961	3.5
293.18945	1.8
295.20523	10.7
296.21326	7.8
318.23489	1.5
321.22061	1.9
336.24609	1.4
337.27347	18.9
338.27567	2.3
417.27750	17.2
435.28851	100.0
436.28970	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2529
Annotation	Balaenonol
Peak:m/z	Relative Intensity
51.02359	1.0
53.03933	1.8
55.01859	1.4
55.05509	5.2
57.03431	0.7
57.07067	1.1
59.04982	1.4
65.03923	1.9
67.05505	14.2
69.01777	1.2
69.02186	5.0
69.03436	2.8
69.07071	2.5
71.04987	1.3
77.03935	0.6
78.75259	0.5
79.05055	0.8
79.05489	10.3
81.07057	13.5
83.04983	11.9
83.08624	1.2
85.06540	1.2
91.05476	16.4
93.07040	21.9
95.04973	7.8
95.08602	22.0
96.08907	0.8
97.06528	3.6
99.04453	1.3
103.05460	1.6
105.04526	0.6
105.07028	19.4
107.04932	1.4
107.08595	9.5
109.06519	24.4
109.10119	3.4
111.04457	5.8
111.08090	6.7
113.06011	1.4
115.05444	5.1
116.06203	1.8
117.07020	12.9
119.04905	0.7
119.08580	14.4
121.06506	3.4
121.10140	4.6
123.04420	1.8
123.08070	13.2
123.11691	0.7
125.05986	4.6
125.09620	1.0
127.03923	1.6
128.06197	4.4
129.07001	7.7
130.07774	5.0
131.04906	1.0
131.08565	13.5
132.08945	0.9
133.06491	1.4
133.10133	11.9
134.10487	0.6
135.08054	9.8
135.11696	1.4
136.08447	0.7
137.05952	2.0
137.09596	1.4
139.07520	2.8
141.06972	4.8
141.09027	1.0
142.07790	5.1
143.08575	11.5
144.05655	0.9
144.09323	1.6
145.06494	2.3
145.10120	18.5
146.07265	0.8
146.10513	0.8
147.04417	1.5
147.08000	4.4
147.11673	3.0
149.09616	3.3
152.06235	1.2
153.06992	4.1
154.07730	3.2
155.08549	34.1
156.09354	4.1
157.06462	1.8
157.10121	12.0
157.68069	0.6
158.07272	10.3
158.10822	0.6
159.08058	14.0
159.11694	6.0
160.08739	1.1
161.09610	7.1
161.13196	1.5
163.11136	1.9
165.07014	6.7
166.07729	2.3
167.07140	1.0
167.08554	7.3
168.09355	3.1
169.06482	0.6
169.10147	9.3
170.10849	2.0
171.08035	3.9
171.11684	6.8
172.08855	3.8
172.12326	0.7
173.09619	91.6
173.13293	1.8
174.09964	4.0
175.07591	0.7
175.11182	4.2
177.12753	0.8
178.07759	2.8
179.07132	0.9
179.08562	7.6
179.10164	0.7
180.09341	4.5
181.04950	0.8
181.06436	1.4
181.10112	8.0
182.07318	0.8
182.10896	3.0
183.08063	2.9
183.11679	9.4
184.08833	1.0
184.12424	1.3
185.09628	7.1
185.13208	3.3
186.10326	1.2
187.11186	7.5
187.14906	0.6
189.09131	0.9
189.12711	1.3
190.07751	1.0
191.08615	2.2
191.10635	1.8
192.09357	5.7
192.10902	0.8
193.06575	0.7
193.10138	10.3
194.10805	2.9
195.08067	3.6
195.11699	13.1
196.08818	6.6
196.12428	2.6
197.09631	8.9
197.13264	7.7
198.10405	2.2
198.13724	0.8
199.11211	7.5
199.14780	1.6
200.11948	0.5
201.09169	2.7
201.12744	2.2
202.09753	0.5
203.08594	2.4
203.10664	1.4
204.09328	1.6
205.10146	5.3
205.12047	0.9
206.10909	4.9
207.08501	0.8
207.11682	19.0
207.13644	1.0
208.08797	1.2
208.12357	2.4
209.07648	1.0
209.09607	15.7
209.13228	7.6
210.10364	10.1
210.13806	0.7
211.11171	23.1
211.14798	2.4
212.11827	2.8
213.09262	0.6
213.12743	15.0
214.13289	1.1
215.08531	1.4
215.10539	0.8
215.14296	1.4
216.09425	1.7
217.10124	3.2
217.11984	0.7
218.10944	2.0
219.11720	7.2
219.13737	1.0
220.08882	0.9
220.12407	2.3
221.09619	2.2
221.13301	6.2
222.10428	3.2
222.13954	1.3
223.11172	26.2
223.14494	2.7
224.11899	9.5
225.12724	23.5
226.13342	3.5
227.10744	0.8
227.14204	3.2
229.10136	3.2
229.12219	0.9
230.10876	3.5
231.11823	3.4
231.13867	0.8
232.12434	3.3
233.09727	1.3
233.13220	6.4
234.10396	1.6
234.13992	2.2
235.11209	4.8
235.14822	4.5
236.11885	2.5
236.15329	0.8
237.12752	8.1
237.16296	1.3
238.13321	1.4
239.10646	1.4
239.14322	5.0
240.11511	0.5
241.10034	0.7
241.12296	1.2
242.10942	0.9
243.11803	2.8
243.13818	0.8
244.12489	3.8
245.13231	7.6
245.15601	0.6
246.10399	2.1
246.13857	3.1
247.11131	4.7
247.14789	6.0
247.17047	0.7
248.11984	3.1
248.15506	1.6
249.12743	5.1
249.16406	3.4
250.13493	2.2
250.17094	0.8
251.14311	4.8
251.18040	1.3
252.14989	1.1
253.15863	1.7
255.11549	1.2
256.12375	1.5
257.13239	2.2
258.14059	2.2
259.14810	8.3
260.11954	1.8
260.15448	2.8
261.12708	5.0
261.16400	4.4
262.13467	2.7
262.16940	0.8
263.14288	9.5
263.17349	1.0
264.15012	2.0
265.13248	0.7
265.15887	5.7
266.16550	0.8
267.17429	2.2
270.13922	1.5
271.14752	2.0
272.15488	1.3
273.12772	1.8
273.16351	2.1
274.13651	0.7
274.16879	0.6
275.14316	5.3
275.17908	3.4
276.15076	3.3
276.17920	0.9
277.15863	11.5
277.19052	0.5
278.16528	5.1
279.14090	0.9
279.17389	4.3
281.15335	1.5
284.15555	1.2
285.16336	3.8
286.16956	1.1
287.14215	1.6
287.17902	2.4
288.15005	1.3
289.15814	4.0
289.19476	1.9
290.16675	1.7
290.20059	0.9
291.14172	0.7
291.17282	3.0
293.15298	1.6
293.18896	2.1
295.16940	7.1
296.17477	0.9
297.15991	0.6
299.14539	0.8
299.17926	1.8
300.18701	2.8
301.15848	1.4
301.19363	1.6
303.04797	0.7
303.14154	0.5
303.17404	10.2
303.20615	1.1
304.17850	1.5
305.15948	0.6
305.18933	3.1
306.19443	0.7
307.17224	1.0
307.20535	2.4
308.21429	0.6
311.17627	0.5
315.17419	1.2
317.18909	2.0
318.19760	5.9
319.16904	0.9
319.20441	1.4
321.18506	5.4
323.17520	0.8
325.18542	0.6
328.17996	0.6
335.20053	1.2
343.20496	0.8
353.22723	1.9
357.21878	1.2
371.23764	3.3
373.21582	0.9
375.23422	0.9
377.21118	1.0
381.22043	4.4
383.85190	0.6
387.23242	0.9
389.24789	6.5
391.22601	1.2
393.24240	0.6
399.23172	16.7
400.23532	2.1
405.24170	2.2
407.25790	9.7
408.26184	1.0
417.24228	90.8
418.24533	10.5
435.25272	100.0
436.25607	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.253
Annotation	Balaenonol
Peak:m/z	Relative Intensity
53.03945	1.9
55.01865	1.1
55.05517	10.3
57.03419	1.1
57.07075	1.1
59.05005	1.3
62.46818	1.1
64.78447	1.0
65.03940	2.7
66.21214	1.0
67.05179	1.3
67.05506	17.2
69.03418	4.6
69.07080	6.8
69.10735	6.3
69.11160	2.9
71.04994	1.2
79.05492	13.7
81.07061	17.6
83.04994	17.8
83.08605	1.6
84.72382	0.9
85.06501	1.1
91.04959	1.6
91.05492	19.8
93.07051	22.4
94.84861	0.9
95.04970	8.5
95.08611	29.6
97.06551	6.7
97.10134	1.2
99.04427	1.0
103.05465	1.7
105.06385	1.5
105.07036	26.0
107.04909	1.0
107.08593	18.9
109.06538	6.1
109.10155	9.2
111.04440	8.5
111.08073	6.6
113.06010	1.3
115.05448	3.3
117.07041	8.1
119.04877	1.2
119.08582	19.8
121.06539	5.8
121.10164	9.6
123.08071	12.8
125.05980	1.6
125.09607	4.0
125.68097	0.9
128.06207	6.3
129.07002	14.7
130.07806	2.6
131.04976	1.0
131.08572	17.7
133.06490	2.4
133.10136	9.7
135.08057	6.4
135.11673	1.6
137.05946	4.3
137.09601	1.2
139.07527	3.0
141.06989	10.3
142.07796	9.5
143.08565	23.4
144.09274	3.1
145.06500	3.8
145.10138	19.6
147.08070	4.9
147.11687	8.7
149.09604	3.6
152.06116	1.0
153.07018	5.1
154.07751	4.5
155.07327	1.9
155.08556	24.0
156.09369	5.5
157.06430	3.0
157.10135	28.8
158.10718	1.4
158.57498	1.2
159.08070	4.8
159.11671	10.9
161.09622	6.2
161.13242	2.3
163.07491	1.2
163.11180	2.7
165.06998	13.1
166.07803	5.9
167.08569	17.6
168.09291	4.7
169.06427	1.5
169.10135	23.2
170.10799	1.4
170.20540	1.2
171.08089	6.1
171.11697	11.9
172.12282	1.1
173.09642	11.9
173.13246	4.4
175.07600	1.8
175.11165	6.6
175.14853	1.2
178.07803	6.1
179.08571	13.6
180.09340	7.9
181.06570	1.7
181.10130	21.9
182.10875	5.2
183.08122	4.5
183.11691	17.5
184.12347	1.1
185.09615	4.4
185.13275	8.8
187.07536	2.3
187.11182	6.5
187.14848	2.3
189.09065	1.6
189.12714	4.2
191.08560	3.4
191.10612	3.0
191.14215	1.4
192.09373	7.8
193.10138	17.6
194.10878	9.9
195.08014	3.1
195.11705	22.9
196.08815	1.1
196.12415	4.3
197.09572	5.2
197.13271	20.5
198.13725	1.2
199.07407	1.7
199.11127	3.6
199.14844	3.9
201.09102	2.0
201.12708	2.4
203.08585	1.4
203.10681	2.8
203.14288	1.5
204.09309	2.7
205.10118	7.7
205.12041	2.1
206.10915	5.0
207.11693	20.4
208.08879	1.6
208.12318	4.5
209.09619	4.8
209.13248	19.0
210.13889	1.8
211.11182	8.3
211.14803	7.9
212.11519	1.2
213.09077	1.7
213.12891	5.1
215.08740	1.5
215.10687	5.4
215.14194	1.7
216.09384	1.5
217.10074	3.5
217.12250	3.6
218.10883	3.5
219.11688	10.1
220.08971	1.4
220.12532	5.4
221.09595	4.2
221.13321	7.5
222.10262	1.1
222.13924	2.6
223.11221	9.2
223.14700	7.9
224.11841	1.5
224.15111	1.2
225.09097	2.9
225.12779	9.7
225.16331	2.9
227.10680	4.8
227.14287	4.2
229.10156	2.0
229.12236	7.1
231.11604	4.2
231.13728	4.9
232.12454	2.5
233.09602	2.4
233.13213	5.8
234.10307	1.4
234.13983	3.6
235.11241	9.1
235.14793	13.0
236.15341	1.6
237.12782	9.2
237.16312	5.3
239.10699	6.3
239.14317	2.0
239.17960	1.9
241.10173	1.3
241.12311	7.3
243.11720	1.4
243.13823	6.8
244.12431	1.9
245.13239	4.3
245.15479	1.6
246.14056	2.3
247.11179	1.7
247.14734	6.2
248.15518	2.9
249.12697	3.7
249.16420	15.3
250.13770	1.2
250.16867	2.2
251.14304	3.9
251.17921	4.9
253.12286	5.7
255.11234	1.5
255.13828	24.2
259.10953	1.2
259.14777	3.5
260.12186	1.1
260.15390	2.0
261.12778	3.3
261.16302	4.0
263.11737	1.1
263.14279	6.1
263.17917	2.4
265.12363	1.7
265.15814	4.1
265.19446	2.0
267.13809	5.0
267.17493	3.0
269.15393	3.0
271.14481	1.3
273.12790	1.9
275.14532	5.0
275.17938	3.6
277.15833	11.1
277.19427	3.2
279.13895	2.6
279.17392	2.7
279.20963	1.3
281.15460	9.0
283.17126	4.7
287.17896	2.1
288.18521	1.1
289.15820	2.9
289.19263	2.0
291.13919	1.9
291.17310	1.9
291.21045	1.1
293.15335	13.6
293.18930	2.8
294.15939	2.3
295.16943	47.3
296.17249	4.3
296.97623	1.1
297.18704	6.6
301.15677	1.7
301.19235	1.6
303.17529	5.5
305.18842	1.2
307.16931	4.3
307.20267	1.5
309.18484	3.5
311.20013	1.4
315.17368	1.6
315.21039	1.3
317.15384	1.0
317.19159	1.2
318.50763	1.1
319.17090	5.1
319.20200	1.3
321.14951	2.2
321.18488	22.3
322.19019	2.2
323.20056	3.1
325.21738	7.4
329.18753	1.6
331.20544	1.4
333.18362	3.0
335.20117	1.7
336.20697	1.4
339.19547	2.4
347.19989	2.0
347.23880	1.3
349.21732	1.4
353.22427	1.1
357.18411	2.7
359.19904	2.5
361.17764	1.6
361.21561	2.3
361.25436	2.5
371.23758	7.3
372.24063	1.1
375.19342	1.3
379.18909	1.3
379.26331	2.5
381.22110	2.1
389.16998	1.2
389.24887	27.7
390.24924	4.6
391.26184	1.5
399.23163	21.5
400.23520	2.4
407.25812	18.2
408.26193	2.6
417.24222	77.0
418.24719	8.1
435.25189	100.0
436.25516	11.8
453.25607	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01892	0.3
55.05515	2.6
56.96567	0.5
67.05502	4.6
69.03427	0.4
69.07066	1.5
71.04997	0.5
71.31229	0.3
71.31615	0.3
79.05491	2.1
81.07053	4.4
82.85999	0.3
83.04557	0.3
83.04982	2.1
83.08589	0.7
85.06535	0.4
85.86488	0.3
91.05484	4.0
93.07040	5.9
95.04968	1.6
95.08607	10.3
97.06547	0.7
99.04422	0.6
99.08120	0.4
103.05464	0.3
105.07028	7.7
107.08585	5.1
109.06498	1.5
109.10162	3.3
111.04448	1.2
111.08091	2.2
113.05980	0.5
115.05434	0.5
117.07032	1.9
119.08581	6.6
121.06499	1.0
121.10132	2.5
123.08067	10.2
123.11736	0.6
124.08400	0.4
125.06013	0.3
125.09636	1.0
128.06235	1.2
129.07028	2.7
130.07838	0.6
131.08562	3.8
132.08849	0.3
133.06508	0.9
133.10120	4.1
135.08057	1.8
135.11687	1.3
137.09589	1.5
139.07565	0.4
139.11174	0.9
140.34521	0.3
141.06935	1.7
141.09146	0.5
142.07811	1.5
143.08565	5.0
144.09303	0.5
145.06453	0.4
145.10114	5.6
147.08006	1.7
147.11690	2.3
149.09554	0.7
149.13239	0.4
151.11205	0.7
153.07005	0.8
154.07726	0.8
155.08563	4.2
156.09335	2.4
157.10130	6.4
158.10625	0.6
159.08025	0.5
159.11693	3.8
161.09612	2.0
161.13269	1.4
163.11186	0.9
165.07010	1.0
166.07849	0.7
167.08572	2.6
168.09381	1.0
169.10133	6.3
170.10841	0.9
171.08011	0.5
171.11684	5.7
172.08812	0.3
172.12178	0.3
173.09647	1.3
173.13300	1.9
175.11198	1.4
177.12796	0.5
179.08492	1.8
180.09329	1.2
181.08614	0.6
181.10104	4.1
182.10873	1.4
183.07997	0.3
183.11691	5.7
184.12396	0.8
185.09615	1.3
185.13226	2.8
187.11150	1.7
187.14859	0.8
189.12698	1.9
191.08551	0.3
192.09303	0.8
193.10123	3.2
194.10890	1.9
195.11681	4.7
196.12430	1.2
197.09610	1.5
197.13261	5.7
198.13837	0.6
199.11174	1.7
199.14821	1.9
201.12752	0.9
201.16284	0.3
203.14352	0.5
205.10194	0.6
206.10944	0.9
207.11700	3.0
207.13664	0.5
208.12387	1.5
209.09828	0.4
209.13234	5.4
210.10390	0.4
210.13890	0.6
211.11227	1.4
211.14792	3.7
212.15561	0.4
213.12714	2.0
213.16411	0.8
213.54893	0.3
215.14346	0.6
219.11766	0.6
220.12483	1.3
221.13260	3.9
222.13931	0.9
223.11325	0.6
223.14786	4.8
224.15408	0.7
225.12749	1.3
225.16344	1.5
226.13445	0.5
227.14250	1.6
228.15010	0.6
229.15785	2.0
231.11615	0.5
233.13203	1.2
234.13962	0.7
235.11237	0.4
235.14821	3.5
237.12819	0.8
237.16347	3.0
238.17117	0.5
239.14284	3.7
239.18030	1.1
240.14995	0.6
241.12097	0.4
241.15814	3.4
243.13826	0.4
245.13322	0.6
247.14911	1.2
248.15598	0.7
249.12628	0.4
249.16367	2.0
250.16891	0.6
251.14301	1.4
251.17963	2.5
252.14821	0.4
252.18678	0.7
253.15872	2.9
253.19551	2.1
255.17380	2.1
260.15622	0.4
261.16461	1.0
263.17938	1.3
265.15936	0.8
265.19293	0.4
267.17432	1.5
269.19037	0.4
275.17990	0.8
277.16275	0.6
277.19498	3.7
278.20197	0.8
279.17480	1.5
279.21042	0.9
281.18936	1.9
291.17535	0.6
292.21893	0.4
293.19019	1.2
293.22205	0.5
294.19946	0.5
295.20505	5.0
296.21252	2.8
297.21906	0.4
303.21118	0.4
305.22745	0.5
307.20435	0.7
319.20551	0.4
321.18759	0.4
321.21973	1.9
336.24454	0.6
375.23114	0.6
377.24722	0.7
389.28485	0.6
391.26273	1.2
393.28015	1.1
399.26883	0.7
417.22272	0.6
417.27869	5.1
418.28256	0.6
420.26495	0.5
435.28943	100.0
436.29272	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.4
53.03948	8.2
55.01883	1.3
55.05511	5.6
57.03436	1.5
65.03947	1.5
67.05504	12.6
67.48122	0.9
69.03410	1.0
69.07061	4.4
69.46288	2.3
69.46676	2.7
71.05005	1.3
72.52525	0.9
77.03938	3.8
79.05502	9.0
81.07055	9.5
82.07427	1.1
83.04984	4.7
83.08630	2.5
87.90370	1.0
91.05468	11.7
93.07037	16.0
95.04970	14.7
95.08602	24.1
97.06547	3.3
97.10146	1.3
98.23369	1.3
105.03392	100.0
105.04538	5.9
105.07023	12.5
106.03761	3.4
106.77650	0.9
107.04983	1.7
107.08590	13.5
109.06552	2.6
109.10154	8.8
111.04475	2.6
111.08073	4.8
115.05452	1.6
117.07014	4.6
119.08579	13.4
120.74110	1.0
121.06513	2.3
121.10136	5.5
123.08071	5.3
123.11746	2.4
125.06010	1.4
125.09634	2.1
128.06245	3.0
129.07014	4.1
130.07800	5.0
131.08580	7.3
133.10130	7.0
135.08101	3.2
135.11682	6.6
137.09686	1.3
139.07571	3.5
141.07004	2.4
141.09099	2.1
142.07762	4.6
143.08589	7.6
145.10121	48.9
146.10500	3.1
147.08044	2.8
147.11652	6.0
153.06960	2.1
153.12840	1.0
154.07832	1.3
155.08574	5.3
156.09363	4.4
157.10123	11.8
158.10513	1.4
159.11678	11.0
161.09642	5.1
161.13298	3.8
163.03883	1.7
163.11220	2.4
165.07097	2.9
166.07721	1.6
167.08572	7.3
168.09372	4.1
169.10106	11.0
170.10902	4.3
171.11693	10.3
173.09654	2.3
173.13321	3.8
175.11255	3.7
178.07799	1.0
179.08624	3.5
179.10713	1.7
180.09389	2.1
181.10120	10.0
182.10962	10.1
183.11688	14.2
184.12372	1.7
185.09785	1.5
185.13240	10.7
187.11263	2.9
187.14883	4.0
189.12743	4.8
193.10175	7.2
194.10881	5.2
195.11687	14.5
196.12434	6.1
197.13257	38.1
198.13828	2.8
199.11240	1.1
199.14816	7.6
201.12849	1.9
205.10248	2.1
206.10992	2.1
207.11769	7.2
207.13890	3.5
208.12416	6.6
209.13243	26.5
210.13916	3.4
211.14801	19.8
212.15138	2.1
213.16466	3.2
219.11774	3.2
219.13869	1.2
220.12459	2.1
221.13266	11.3
222.14024	3.5
223.11450	1.4
223.14816	24.5
223.16867	1.5
224.15315	2.9
225.16325	4.7
227.14394	1.3
229.15945	2.0
233.13193	2.0
234.14053	1.7
235.14815	7.8
236.15590	2.8
237.16393	9.3
238.16974	1.1
239.14290	1.6
239.17993	1.6
241.15967	3.9
241.64999	1.0
247.14859	2.1
248.15393	2.1
249.16472	4.2
250.17084	2.1
251.17958	37.6
252.18449	4.4
253.16185	1.5
253.19604	7.8
261.16428	1.9
263.18060	2.7
267.17566	1.2
271.07620	2.0
272.08310	1.2
275.07047	1.1
275.18127	2.4
277.19507	6.5
279.21097	2.2
285.05701	1.3
291.21240	1.9
292.21921	2.2
293.22601	1.8
295.17490	1.8
295.20746	3.7
299.07098	2.8
300.07651	1.3
301.07764	1.3
302.05768	4.0
303.06580	2.7
313.08627	1.3
315.06216	1.5
316.06851	1.1
317.08215	3.1
317.22849	1.2
319.06091	1.7
321.18649	1.4
321.22141	1.5
325.21405	1.4
327.06735	1.0
328.07355	4.0
329.08102	3.0
330.05356	1.9
330.63089	1.1
331.06143	4.6
331.11832	4.5
343.09818	2.3
343.22812	1.7
344.06873	1.6
345.07639	7.4
345.25891	2.5
346.08350	3.4
347.05487	1.9
349.10739	1.1
355.05988	4.1
356.06680	1.9
359.05313	2.2
359.09378	3.0
360.09952	5.2
363.23346	1.3
371.09091	2.0
372.09622	1.3
373.06897	6.8
373.25354	5.1
374.07800	4.8
375.08511	2.3
375.12543	2.4
377.10352	4.0
377.24921	1.4
388.09671	5.1
389.10175	14.2
390.10934	2.1
391.26276	38.9
392.26541	6.3
393.27927	14.0
394.27914	2.5
403.11523	4.7
404.12515	8.0
405.09573	3.2
405.13773	2.3
417.28217	7.2
420.11847	5.2
421.12787	7.2
435.14389	31.4
435.29037	34.0
436.15131	26.5
436.29639	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.0
57.07080	1.7
67.05496	8.5
68.24131	0.9
69.03424	1.3
69.07052	5.3
69.21968	5.6
69.22376	1.5
73.23854	0.9
79.05492	6.3
81.03429	1.3
81.07070	10.5
83.04977	3.9
83.08618	2.0
86.85052	0.9
88.14575	1.1
89.06012	2.7
91.05490	7.2
93.07037	11.7
95.04952	4.1
95.08613	16.2
96.08932	1.0
97.06509	2.5
97.56304	0.9
99.04454	1.5
101.51165	0.9
103.03271	0.9
105.07026	14.1
107.08599	10.7
109.06502	3.2
109.10170	5.7
111.04439	1.5
111.08089	3.9
117.07005	4.3
119.08597	11.4
121.06496	1.6
121.10165	6.9
123.08065	8.5
123.11684	2.1
125.05976	2.1
125.09621	1.3
128.06210	1.5
129.07011	4.8
130.07758	1.0
131.08588	7.5
133.06548	1.2
133.10106	6.4
135.08054	2.0
135.11667	2.7
137.09613	2.0
141.06995	2.8
141.09111	1.4
142.07794	3.8
143.08578	9.8
145.10126	11.7
147.08054	3.1
147.11690	3.6
149.09596	1.7
149.13181	1.2
151.11238	1.1
153.05475	15.7
153.06766	1.7
154.07784	2.0
155.08553	9.2
156.09335	3.4
157.10138	10.8
159.08072	1.6
159.11685	10.8
159.34761	0.9
161.09584	5.3
161.13213	1.8
163.14908	1.0
165.06990	2.2
167.08592	4.0
168.09308	1.4
169.10158	10.4
170.10771	2.8
171.11703	8.5
173.09567	2.8
173.13278	3.0
175.11131	1.9
179.08557	2.7
180.09253	2.4
181.10144	6.8
182.10928	2.4
183.08081	1.5
183.11690	7.3
184.12454	1.3
185.09641	2.6
185.13217	5.3
187.11273	2.8
187.14832	1.7
189.12717	3.8
193.10069	5.3
194.10785	1.6
195.11703	8.2
196.12502	1.5
197.09608	2.0
197.13205	8.8
199.11215	1.7
199.14816	3.9
201.12720	2.7
201.16438	1.6
206.10886	2.3
207.11717	5.7
208.12379	3.1
209.13275	6.3
210.14005	1.3
211.11108	2.4
211.14766	5.2
213.12735	3.4
213.16435	1.6
215.14229	2.9
219.11676	2.0
220.12375	1.6
221.13275	8.6
223.14801	9.1
224.15463	1.6
225.12802	2.5
225.16379	2.3
226.13335	1.0
227.14296	3.9
229.15875	3.5
233.13257	1.6
234.13925	1.5
235.14790	3.0
237.16449	4.6
239.14346	7.6
239.17937	2.1
240.14992	1.1
241.15840	8.2
247.14780	1.7
247.86710	1.1
249.16327	3.6
251.14276	1.1
251.18039	3.4
252.18486	1.1
253.15889	2.8
255.17383	4.9
261.16251	1.7
262.17078	1.5
263.17987	3.3
265.15881	1.4
265.19513	1.9
267.17383	2.2
277.19455	6.3
279.17480	1.3
281.18994	1.3
292.55173	1.0
294.19830	1.4
295.20584	10.4
296.21298	1.8
311.19937	1.3
318.23480	1.6
321.22073	1.2
391.26425	2.7
407.29700	1.4
417.27866	26.2
417.33456	5.7
418.27960	2.1
435.28909	100.0
436.29163	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01863	1.2
55.05516	8.0
57.03445	1.6
57.07089	1.4
61.85578	0.9
65.03941	1.7
67.05506	16.8
69.03434	1.9
69.07053	6.7
70.73692	1.0
71.05003	1.3
71.30576	1.8
77.34056	0.9
79.05494	6.8
81.07058	14.2
83.04975	5.3
83.08647	2.4
91.05477	11.5
93.07034	18.1
95.04982	7.1
95.08605	27.5
96.08955	1.0
97.06528	3.3
97.10161	1.9
98.98494	3.6
103.05464	1.0
105.07034	16.4
106.07381	1.0
107.08589	14.7
107.47014	0.9
109.06531	3.0
109.10158	9.7
111.04470	2.5
111.08073	5.0
115.05482	1.7
117.07022	4.0
119.08577	12.3
121.06544	2.5
121.10139	8.6
123.08080	9.4
123.11753	3.2
125.09636	3.1
128.06262	3.0
129.07014	5.6
131.08553	10.4
133.06493	2.1
133.10124	10.9
135.08070	3.5
135.11653	4.5
137.09598	6.6
139.07576	2.5
141.07034	2.9
141.09163	1.3
142.07762	4.5
142.53201	0.9
143.08559	10.9
144.09261	1.3
145.06552	1.8
145.10123	13.2
147.08069	4.1
147.11658	5.5
149.09615	1.8
149.13283	2.4
153.07050	2.5
154.07793	1.9
155.08554	12.1
156.09349	4.1
157.10132	14.6
159.08087	1.6
159.11682	12.0
161.09592	4.7
161.13268	3.9
163.11220	2.6
165.07047	2.7
165.12817	1.3
166.07846	1.7
167.08618	4.5
168.09261	1.9
169.10106	17.1
170.10927	1.9
171.08052	1.5
171.11673	11.3
173.09680	4.1
173.13248	5.1
175.11206	1.6
175.14784	1.6
179.08487	5.2
180.09375	3.3
181.10115	9.4
182.10883	4.0
183.08095	4.1
183.11678	10.6
184.12447	1.6
185.09595	5.4
185.13206	5.9
187.11240	5.2
187.14751	2.2
188.15326	1.1
189.12817	3.0
192.09363	1.6
193.10107	6.7
194.10939	3.5
195.11707	10.4
196.08810	1.0
196.12389	2.2
197.09637	13.2
197.13240	16.0
198.10420	1.2
198.13779	1.0
199.11224	4.1
199.14774	5.1
201.12804	3.6
205.10120	2.0
206.10959	3.7
207.11685	8.1
208.12465	3.7
209.09714	4.0
209.13255	11.8
210.10492	1.3
210.13838	2.3
211.11220	10.5
211.14798	11.0
212.15323	1.6
213.12798	4.3
213.16447	1.9
215.14340	2.2
219.11752	2.9
220.12444	2.0
221.13248	8.9
223.11253	4.2
223.14790	9.9
224.12068	1.6
224.15553	1.6
225.12749	7.6
225.16423	3.6
227.14352	6.9
228.14937	1.6
229.15941	4.2
233.13319	4.1
234.14061	2.7
235.11162	1.2
235.14777	8.5
236.15390	1.9
237.12762	3.9
237.16444	5.0
238.13486	1.6
239.14291	23.7
239.17065	1.1
239.17998	1.9
240.14722	2.3
241.15897	8.2
246.14005	1.5
247.14912	2.4
249.12743	2.3
249.16495	3.0
251.14279	9.9
251.17998	6.8
251.35938	1.1
252.14922	1.7
253.15814	9.5
253.18456	0.9
253.19618	1.7
255.17415	5.5
257.19266	1.4
259.14771	1.6
261.13113	1.3
261.16452	2.8
262.17126	1.0
263.14249	1.9
263.18069	2.0
265.15854	6.1
267.17511	4.8
275.17972	1.7
277.16006	2.3
277.19568	4.5
278.20224	1.1
279.17505	6.3
279.20746	1.9
281.15649	0.9
281.19083	2.8
289.19482	1.2
291.17480	1.7
293.18979	10.2
295.17075	2.1
295.20505	14.7
296.21283	3.3
297.18652	1.2
303.21280	1.8
305.18826	1.3
307.20526	2.7
311.20169	1.6
319.20697	1.9
321.18616	1.7
321.22021	6.9
323.20294	1.1
336.24390	1.4
337.27414	4.4
347.23950	2.4
375.23288	6.1
389.28598	2.5
391.26074	5.8
393.24225	3.9
399.26981	3.2
407.29529	1.9
417.27847	30.6
418.28064	2.6
435.29034	100.0
436.29410	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3257
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03938	1.9
55.05510	11.5
57.07070	1.7
65.03925	3.2
67.05504	26.0
69.07071	11.1
71.04996	3.7
79.05489	14.8
81.07057	39.9
83.04987	5.0
83.08640	5.6
85.06556	1.4
86.41019	1.1
91.05476	26.4
93.06465	2.1
93.07044	37.0
95.04977	6.9
95.08606	61.6
97.06517	6.7
97.10177	3.6
98.22637	3.1
98.55102	1.1
99.04438	1.2
105.04515	1.8
105.07025	46.0
107.08590	46.4
109.06495	4.2
109.10153	33.5
111.04453	1.3
111.08078	10.3
115.05423	2.8
116.06186	1.3
117.07013	13.3
119.08582	52.8
120.08933	1.7
121.06499	3.2
121.10142	35.0
123.08076	15.8
123.11723	9.7
125.09622	8.3
128.06204	4.0
129.07002	9.3
130.07773	3.5
131.08563	32.2
133.06560	1.4
133.10123	37.5
134.10527	1.6
135.08035	8.0
135.11674	14.8
137.09618	4.2
137.13257	3.2
141.06993	3.8
141.09116	2.6
142.07758	7.2
143.08554	24.3
144.09283	4.6
145.10126	44.4
146.10489	2.0
147.08052	5.0
147.11687	25.8
149.09602	5.6
149.13251	8.0
151.11140	1.6
154.07735	1.5
155.08574	10.2
156.09364	6.3
157.10129	32.5
158.10847	2.3
159.08002	2.2
159.11697	33.7
160.12109	1.6
161.09601	9.1
161.13245	21.0
163.11185	6.2
163.14819	4.8
167.08453	1.9
168.09360	2.8
168.18515	1.3
169.10124	13.7
170.10907	2.6
171.11688	24.6
172.08699	1.4
172.12248	1.4
173.09641	2.7
173.13254	22.8
175.11151	6.9
175.14868	13.6
177.12756	3.9
177.16379	4.7
179.08589	2.2
181.10121	4.2
182.10880	3.0
183.11700	12.6
184.12326	2.1
185.13246	28.2
187.11185	4.4
187.14825	19.1
188.15251	1.4
189.12807	7.2
189.16403	11.2
191.14275	4.7
193.10176	2.3
195.11665	6.5
196.12305	1.3
197.13292	10.8
199.11143	2.8
199.14812	32.2
200.15260	3.1
201.12746	7.5
201.16368	21.3
203.14333	8.7
203.17900	3.0
205.15950	2.7
207.11668	4.1
209.13284	7.2
210.14085	1.4
211.11092	1.3
211.14804	6.7
213.16376	14.4
215.14297	5.5
215.17876	5.9
217.15855	14.5
219.17424	2.7
221.13237	3.3
221.15242	2.1
223.14757	5.9
225.16307	6.7
227.14319	2.6
227.17984	4.0
229.15901	5.8
231.17456	5.0
233.15326	1.8
235.14766	3.5
235.16916	1.4
237.16344	5.0
239.14317	3.6
239.17931	4.8
241.15746	2.8
241.19501	3.1
243.17441	3.2
245.18951	1.6
249.16238	2.1
251.17926	4.2
253.15814	2.4
253.19467	4.6
255.17462	3.4
265.19534	2.0
267.17395	3.2
267.20987	2.7
277.19467	2.0
279.20950	2.5
281.18915	3.9
281.22235	1.4
283.20465	1.9
293.22556	2.0
294.23465	1.3
295.20572	3.6
295.24011	1.9
296.21353	4.3
309.21942	3.7
311.23505	8.6
325.25226	2.1
336.24478	2.1
337.25040	3.0
339.26898	1.6
377.28345	1.5
389.32056	2.0
390.01569	1.3
393.27609	1.9
407.33008	3.9
417.31781	14.4
435.27866	22.1
435.33356	100.0
436.33737	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3257
Annotation	Myltaylorione B
Peak:m/z	Relative Intensity
51.25904	0.6
51.71452	0.6
53.03941	1.7
55.05510	10.4
57.07078	1.9
65.03944	1.4
65.43929	0.7
67.05503	18.1
69.03444	0.9
69.07067	13.2
71.04995	1.5
72.81602	0.7
77.03927	1.0
79.05487	13.1
81.07056	31.2
83.04972	5.2
83.08609	4.9
85.02881	1.0
85.06544	1.3
87.15475	0.7
91.05482	16.1
93.07043	27.5
95.04971	3.1
95.08604	40.5
96.08926	1.1
97.06516	4.1
97.10177	2.6
98.23301	1.5
99.08128	1.5
103.05486	0.7
105.07031	30.6
106.07385	0.9
107.08591	35.7
108.08952	1.3
109.06525	3.7
109.10154	23.6
110.10527	0.8
111.08093	2.7
111.11723	0.7
113.06053	0.8
115.05480	1.7
117.07005	8.3
119.06069	0.9
119.08580	38.8
119.51289	0.8
120.08983	0.7
121.06511	3.1
121.10142	23.3
123.08089	6.8
123.11711	7.7
125.09595	3.4
127.07504	0.7
128.06207	3.6
129.07011	6.5
130.07820	1.9
131.08559	16.6
133.06485	1.5
133.10126	25.1
134.10480	1.0
135.08055	6.0
135.11708	10.5
137.09621	2.8
137.13341	1.2
141.07021	3.1
141.09065	0.8
142.07780	4.9
143.08554	20.0
144.09373	1.8
145.10115	27.4
146.10498	1.1
147.08044	4.6
147.11684	14.3
148.11992	0.9
149.09612	4.9
149.13258	5.8
151.11212	2.0
153.09149	1.6
154.07825	0.8
155.08533	6.1
156.09341	4.4
157.10121	23.4
158.10828	1.5
159.08122	2.7
159.11702	20.7
159.12994	1.3
160.12045	1.3
161.09622	8.5
161.13261	10.8
163.11169	3.4
163.14755	3.4
165.07018	0.9
165.12833	0.8
167.08618	1.1
168.09300	1.4
169.10141	10.0
170.10867	2.4
171.11681	18.4
171.13068	1.0
172.12149	1.2
173.09657	4.2
173.13243	14.3
173.14626	1.1
175.11143	6.5
175.14821	8.9
175.16202	0.9
177.12743	2.6
177.16383	1.5
179.08592	1.2
179.10733	1.7
181.10138	3.9
181.12326	0.8
182.10941	2.4
183.11685	10.3
184.12465	2.1
185.09732	1.7
185.13242	14.2
185.14746	0.8
187.11237	2.6
187.14810	13.0
187.16344	1.0
189.12750	4.1
189.16377	4.0
191.14333	2.5
193.10112	1.6
194.10965	0.9
195.11681	6.3
196.12422	1.5
197.13258	9.2
198.13995	1.6
199.11244	1.0
199.14816	23.7
200.15247	1.1
201.12724	4.9
201.16391	12.4
203.14323	5.4
203.18018	2.5
205.15932	1.9
207.11780	2.2
209.13330	4.8
210.14053	1.1
211.14778	7.6
212.15358	0.9
213.12909	1.5
213.16365	17.1
214.16798	1.5
215.14323	5.9
215.17903	5.5
217.15788	6.2
219.13858	1.4
219.17516	1.6
221.13271	2.1
221.15422	2.9
222.13838	1.0
223.14822	3.4
224.15468	1.1
225.12802	1.6
225.16391	5.6
227.14355	1.4
227.17902	5.2
228.18507	0.8
229.15919	4.7
229.19473	0.9
229.26929	0.8
231.17387	4.8
233.13324	0.9
233.15442	2.1
235.14856	2.0
235.17018	2.1
237.16386	3.7
239.14360	1.0
239.17911	4.1
241.15915	1.3
241.19644	1.7
243.17476	2.9
245.19000	1.1
247.14780	1.0
249.16386	1.3
251.18056	2.8
253.15826	0.9
253.19583	2.0
255.17421	1.2
255.21101	1.6
257.19095	1.7
263.17908	1.5
265.19617	2.8
267.17535	1.6
267.21030	1.9
269.18976	1.2
269.22821	0.9
271.20935	0.9
273.33063	0.8
277.19531	1.6
279.21088	2.5
281.22745	1.4
283.20734	0.9
285.21994	0.8
291.21094	2.6
293.19604	0.9
293.22757	3.2
295.20563	1.3
295.24136	1.8
297.22110	1.1
299.20190	0.9
307.24228	1.7
309.22244	3.4
311.23688	5.5
319.24167	1.1
321.22278	1.1
321.25702	1.8
323.23456	1.0
325.21545	1.1
327.23291	1.9
335.23904	0.8
337.25458	1.5
339.26810	2.7
353.10260	1.7
369.06723	0.8
375.26703	1.0
377.28574	1.2
379.26270	1.5
389.31979	1.6
393.27899	1.7
399.30460	1.5
407.33142	2.9
417.26559	1.3
417.31589	15.6
418.32010	1.5
435.32681	100.0
436.32870	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3254
Annotation	Myltaylorione B
Peak:m/z	Relative Intensity
53.03946	2.5
55.01872	3.3
55.05513	21.0
57.03437	3.1
57.07077	8.3
59.05001	1.7
65.03944	3.2
66.39670	0.9
67.05509	27.4
68.06688	1.0
69.03436	2.0
69.07066	29.0
71.04984	2.4
71.08635	3.9
71.31042	1.3
77.03907	1.1
79.05494	17.0
79.05917	1.8
81.07059	46.6
83.04977	12.7
83.08616	15.5
85.06541	3.5
85.10181	2.4
91.05480	19.9
91.06001	1.7
93.06462	2.2
93.07046	36.2
95.04971	6.2
95.08608	55.3
96.08939	1.3
97.06513	6.8
97.10162	8.7
99.00826	1.5
99.04482	2.4
103.05437	1.7
105.03380	1.1
105.04591	1.3
105.07029	40.0
106.07374	1.8
107.04949	4.7
107.08597	41.2
108.08880	1.1
109.06514	6.2
109.10159	28.1
110.10526	1.6
111.04440	8.3
111.08084	3.9
111.11735	2.9
113.02383	4.4
115.05435	1.7
117.07022	10.0
119.08579	43.2
121.06474	6.1
121.10138	27.8
122.10490	0.9
123.04476	1.3
123.08067	7.8
123.11703	13.7
125.06013	3.4
125.09621	5.0
125.13273	1.1
127.03938	4.6
128.06244	4.2
129.05511	2.0
129.06993	7.2
130.07819	2.4
131.08565	26.5
133.06537	2.3
133.10127	28.6
135.08046	5.9
135.11693	16.3
137.05956	2.4
137.09651	3.0
137.13258	3.2
139.07594	1.4
139.11214	1.2
140.99484	2.2
141.05470	2.9
141.07024	2.4
142.07811	7.6
143.06970	1.3
143.07382	1.6
143.08560	25.9
144.09312	3.2
145.10123	43.0
147.08017	7.0
147.11688	24.0
148.12019	1.3
149.06006	1.3
149.09650	5.8
149.13277	8.2
151.07578	2.3
151.11226	3.1
153.05431	10.0
155.07225	2.1
155.08578	8.5
156.09344	5.7
157.10127	25.6
158.10864	1.8
159.08089	3.8
159.11684	33.4
159.12973	2.0
160.12119	1.1
161.09644	9.9
161.13263	19.2
163.11163	6.8
163.14822	5.1
165.07091	1.2
165.09149	1.3
167.07108	1.3
167.08582	2.1
167.10725	1.6
168.09314	2.1
169.10126	9.5
170.10942	5.7
171.06552	4.6
171.07964	1.1
171.11687	18.2
172.12436	2.3
173.09634	4.6
173.13255	20.3
175.11224	7.4
175.14842	14.2
176.55617	1.1
177.09093	1.2
177.12796	4.0
177.16425	3.2
179.08527	1.7
180.09447	1.5
181.08667	1.4
181.10182	4.2
182.10930	1.7
183.11658	11.8
185.08182	1.2
185.09683	2.8
185.13249	30.8
186.13751	1.9
187.11240	3.4
187.14807	25.2
188.15045	1.7
189.12776	4.9
189.16402	9.0
191.10606	1.3
191.14334	5.9
193.10294	1.3
195.10165	1.8
195.11668	4.7
196.12558	2.1
197.02115	3.5
197.13242	9.6
198.13918	2.1
199.11217	1.4
199.14819	19.8
201.12810	5.5
201.16399	20.5
202.16730	1.2
203.14279	7.1
203.17989	3.9
205.12221	1.4
205.15942	3.7
207.11754	2.4
207.13733	1.4
208.12480	1.3
209.11679	2.4
209.13370	4.7
210.13997	1.0
211.14861	8.4
213.12888	1.7
213.16383	16.3
214.16898	1.8
215.14407	6.1
215.17934	8.6
217.15854	8.0
219.13791	2.3
219.17516	2.0
220.12503	1.0
221.13448	1.9
221.15352	2.3
223.14870	3.9
223.16908	1.5
225.16432	7.2
227.12517	1.2
227.14502	1.8
227.18015	4.5
229.15874	6.8
229.19528	1.2
231.17496	5.3
233.15396	1.9
235.14948	2.3
237.16364	3.1
239.14299	1.3
239.17960	3.0
241.15898	3.0
241.19650	1.8
243.13734	1.4
243.17485	5.7
245.19019	2.3
247.14752	1.9
247.17049	2.2
249.16374	2.0
251.18047	3.3
253.19609	3.0
257.18848	1.4
259.17099	1.6
261.18683	1.7
265.19589	2.4
267.21140	2.2
269.19223	1.2
271.20648	1.3
277.19629	1.3
279.21146	2.3
281.19052	1.2
283.20575	1.2
291.20810	1.0
293.22690	3.9
294.23361	1.7
295.20514	2.2
295.24033	1.2
297.20996	1.4
307.24054	1.6
309.21970	2.4
311.23636	3.8
319.24097	1.3
325.25256	1.5
333.25848	1.7
337.25488	2.8
339.26773	1.7
361.28839	3.5
379.26041	1.5
379.30283	1.7
389.32159	2.9
393.27859	3.0
399.31354	1.4
407.33313	6.2
417.31595	20.4
418.32001	2.3
435.32706	100.0
436.28842	0.9
436.33087	8.8
440.90228	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3258
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
55.05503	10.4
56.05039	2.5
56.32934	1.8
57.07079	3.3
60.21323	1.3
65.03955	2.4
66.21414	1.5
67.05511	19.6
69.03426	2.1
69.07069	13.8
69.63538	5.9
69.63944	3.4
71.08641	3.1
79.05491	10.3
81.07056	31.8
81.94844	1.5
83.04989	2.4
83.08627	5.7
89.06054	2.6
91.04945	3.0
91.05470	21.4
93.07048	28.0
95.04988	5.0
95.08607	42.3
97.06564	5.5
97.10168	3.7
98.22595	1.6
105.07034	34.9
107.04903	2.2
107.08592	33.2
107.82842	1.7
108.08933	2.1
109.06539	4.9
109.10149	23.9
111.08125	3.1
115.05442	1.8
117.07047	5.7
119.08577	36.6
121.06531	2.3
121.10130	24.0
123.08098	7.3
123.11703	9.1
125.09670	2.2
125.27450	1.9
128.06252	3.7
129.07033	6.0
130.07811	2.9
131.08569	18.6
133.06532	2.5
133.08615	2.2
133.10127	24.6
135.08070	6.2
135.11714	10.7
137.09608	2.7
141.07066	4.1
141.96010	1.7
142.07793	5.7
143.08572	19.7
144.09340	2.2
145.10124	27.7
146.10854	1.7
147.08076	7.0
147.11714	16.7
149.09676	4.8
149.13306	4.8
153.05466	3.4
153.09087	1.6
154.12251	12.5
155.08560	7.6
156.09402	5.0
157.10121	24.0
159.08099	6.8
159.11693	25.0
160.11934	1.7
161.09628	8.7
161.13290	11.0
163.11189	4.9
163.14857	2.7
164.88058	1.6
167.08571	2.1
169.10133	10.5
171.11678	17.6
171.14949	7.7
173.09639	4.7
173.13239	14.8
174.53732	1.7
175.11223	7.0
175.14865	9.8
177.16386	2.6
179.14473	1.8
181.10164	4.3
183.11621	12.4
184.12370	2.0
185.09529	1.6
185.13240	16.4
187.11247	3.2
187.14790	12.6
189.12798	5.6
189.16409	5.5
191.14427	1.9
193.10161	2.1
195.11746	4.0
196.12697	2.3
197.13206	11.4
199.11130	2.0
199.14809	22.4
199.16475	1.9
201.12854	5.1
201.16339	11.8
203.14401	6.7
203.18011	3.5
205.16008	2.8
207.11778	2.7
209.13275	4.5
211.14796	9.1
213.12672	2.2
213.16342	15.7
215.14322	7.5
215.18034	5.7
217.15901	5.6
219.13812	2.7
221.13539	1.8
221.15440	2.9
223.14877	6.2
225.16331	7.5
227.17975	3.9
229.15901	5.0
229.19510	2.3
231.17525	3.5
235.17020	3.5
237.16440	5.6
239.18031	4.3
243.17587	2.7
251.17987	3.4
253.19704	3.1
255.17578	1.7
265.19733	2.7
267.21127	2.9
277.19739	2.4
279.21021	3.0
281.19162	1.9
283.17117	1.5
291.21326	1.7
293.22775	2.6
295.20767	2.6
295.24271	1.7
297.22217	2.4
299.20016	2.0
304.72839	1.7
309.22095	2.6
311.23856	5.0
321.25632	1.8
325.25253	1.6
339.23267	2.7
339.26920	2.8
379.26447	2.6
389.31677	1.8
393.27325	2.2
396.08087	1.7
399.30417	3.5
407.33463	2.5
417.31522	15.9
435.32706	100.0
436.33035	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3258
Annotation	Myltaylorione B
Peak:m/z	Relative Intensity
53.03949	1.7
54.22775	0.9
55.01863	1.1
55.05514	7.5
57.07071	3.2
65.03943	1.7
66.34966	0.8
67.05507	16.4
69.03427	1.5
69.07062	8.8
69.13494	8.5
70.24138	0.9
71.04980	1.8
71.08612	0.9
79.05487	12.4
81.07058	30.6
81.07528	2.2
83.05016	1.9
83.08628	4.5
85.06554	1.5
91.05478	12.9
93.07045	24.2
95.04984	3.6
95.08606	38.4
97.06531	4.9
97.10192	2.9
99.04467	2.4
105.07033	28.7
106.07341	1.0
107.08591	34.9
109.06521	2.8
109.10152	19.4
111.08100	2.5
112.80270	1.0
115.05470	2.0
117.07013	5.4
119.08582	34.9
119.09434	1.8
121.06518	3.4
121.10138	23.7
123.08085	8.0
123.11724	7.9
125.09645	4.4
128.06242	2.9
129.06993	6.5
130.07947	0.9
131.08569	13.0
133.10130	24.6
134.10378	1.0
135.08055	6.2
135.11682	12.1
137.09631	2.3
137.13228	2.3
139.07512	1.0
141.07050	1.7
142.07768	4.0
143.08556	16.0
144.09377	1.7
145.10132	29.2
146.10475	1.2
147.08058	2.0
147.11678	16.1
149.09639	4.0
149.13327	5.6
151.11203	1.9
155.08551	5.3
156.09352	3.5
157.10135	24.9
158.10852	2.4
159.11687	24.2
161.09619	5.2
161.13268	11.6
163.11177	4.1
163.14841	2.9
167.08681	1.1
167.10733	1.5
169.10103	8.8
170.10931	1.9
171.11674	19.1
172.12241	1.5
173.09651	2.5
173.13260	14.7
175.11226	6.6
175.14819	7.7
177.12808	3.0
177.16490	2.0
179.08524	0.9
181.10132	1.6
182.10909	2.3
183.11650	8.2
184.12447	1.6
185.13231	13.7
187.11247	3.3
187.14819	14.2
189.12798	3.3
189.16376	6.3
191.14276	2.2
193.10277	1.2
193.12256	1.2
195.11720	4.3
195.13625	1.1
196.12457	1.5
197.13281	9.0
198.13968	1.3
199.11186	2.1
199.14810	21.8
199.16486	1.6
200.15489	1.0
201.12706	2.1
201.16415	10.9
202.16631	1.3
203.14320	7.1
203.18016	2.8
205.15938	4.0
207.11763	1.9
209.13269	4.2
210.14027	1.7
211.14778	7.8
213.12746	1.6
213.16370	16.9
215.14326	4.9
215.17987	3.9
217.15881	6.9
219.17355	1.2
221.13289	1.8
221.15392	1.8
223.14859	3.3
225.16466	5.6
227.14362	1.4
227.18001	3.9
229.15948	5.7
229.19461	1.0
231.17480	3.7
233.15375	2.3
235.16907	2.1
237.16426	3.4
239.18034	3.8
241.15857	1.6
241.19594	2.4
249.16507	1.6
250.17218	1.1
251.17929	2.6
253.19638	2.9
255.17453	1.5
255.21103	1.8
263.18027	1.9
265.19638	2.7
267.21109	3.3
269.19070	1.5
271.16992	1.4
271.20450	1.8
277.19458	1.6
279.21204	2.1
281.22690	2.7
293.22653	4.1
295.20901	1.1
295.24109	2.3
305.22806	1.1
309.22137	3.3
311.23621	4.7
319.24115	1.0
321.25922	1.8
325.25192	1.6
333.25934	1.4
337.25140	1.3
339.26971	4.1
353.24567	1.1
361.29361	1.1
361.71072	1.0
377.28735	1.3
379.26208	2.4
389.32266	1.0
399.30490	2.3
407.33292	2.3
417.31415	17.2
418.31937	2.0
435.32614	100.0
436.32855	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3259
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
51.02375	1.1
53.03951	2.6
55.01881	1.4
55.05511	12.6
57.07073	2.5
65.03932	2.5
67.05505	23.7
69.03445	1.5
69.07066	12.8
70.23335	1.1
71.05006	1.4
75.34760	1.0
79.05492	13.1
81.07055	37.2
81.07525	2.2
82.07394	1.3
83.04980	7.0
83.08617	3.7
91.05477	20.1
93.07043	32.5
94.07374	1.3
95.04973	6.7
95.08607	52.0
97.06551	6.2
97.10184	2.8
98.22769	7.5
98.23440	1.9
98.98430	2.3
99.08131	1.0
103.05489	1.2
105.07030	38.5
106.07377	1.3
107.05010	1.1
107.08593	38.0
108.08948	1.3
109.06523	5.8
109.10159	26.5
109.10918	1.5
111.04476	3.2
111.08057	5.4
113.06026	1.5
115.05438	2.0
116.06187	1.1
117.07018	6.9
119.08579	46.6
120.08941	1.3
121.06510	4.5
121.10143	26.1
123.08067	14.9
123.11702	8.6
125.09577	5.8
127.07596	1.1
128.06207	4.5
129.07030	7.2
130.07756	2.0
131.08574	20.8
133.06476	2.1
133.10132	34.1
134.10466	1.6
135.08052	5.8
135.11685	11.7
137.09631	4.8
137.13271	2.3
139.07513	1.6
141.06990	3.4
141.09122	1.9
142.07802	6.6
143.08557	27.6
144.09331	3.4
145.10117	33.9
147.08043	7.4
147.11688	17.5
148.08810	1.3
149.09612	5.2
149.13235	8.2
151.11201	2.6
153.07018	2.4
153.09146	1.8
154.07742	1.8
155.08540	12.0
155.10620	1.2
156.09377	5.3
157.10126	28.7
158.10916	1.7
159.08076	4.4
159.11688	28.5
160.12268	1.1
161.09624	10.0
161.13255	12.7
163.11179	5.0
163.14812	3.3
165.07066	2.0
167.08588	4.5
167.10741	1.4
168.09323	2.2
169.10159	14.4
170.10878	3.6
171.11687	24.7
172.08904	1.2
173.09587	6.8
173.13277	16.0
174.13651	1.5
175.11185	8.4
175.14787	7.2
177.12743	2.6
177.16391	2.1
181.10115	5.5
182.10904	3.6
183.11690	15.1
184.12337	1.6
185.09656	3.3
185.13245	20.0
187.11195	5.3
187.14789	11.8
189.12709	5.7
189.16342	6.3
191.10750	1.4
191.14317	5.0
192.09190	1.4
193.10173	4.3
194.10803	2.2
195.11671	9.8
196.12468	3.0
197.09619	2.3
197.13246	11.9
198.13814	2.0
199.11198	3.2
199.14806	25.9
200.11685	1.3
201.12769	6.7
201.16396	15.1
203.14337	9.5
203.18022	3.0
205.15950	2.5
206.10951	2.1
207.11693	5.6
207.13646	1.8
208.12360	2.5
209.13266	8.2
209.15160	2.0
210.13783	1.3
211.11198	3.2
211.14801	11.6
212.15300	1.9
213.12793	4.4
213.16382	19.0
214.16731	1.8
215.14348	8.7
215.17973	4.7
217.15843	7.6
219.11775	2.6
219.13811	2.0
219.17534	1.4
221.13249	5.8
221.15425	4.5
222.13870	1.7
223.11311	1.9
223.14816	8.0
225.12740	2.3
225.16330	5.8
227.14380	3.1
227.17883	4.9
229.15852	6.8
231.17535	4.9
233.13287	3.8
233.15382	2.5
235.14818	5.1
235.16898	2.2
236.15518	1.9
237.12842	1.7
237.16306	5.1
238.16994	1.8
239.14340	7.6
239.17932	4.7
241.15892	5.1
241.19557	3.7
243.17496	2.6
247.14882	2.6
249.16406	2.9
250.16997	1.4
251.14317	2.5
251.17976	4.8
253.15953	4.1
253.19489	3.9
255.17445	3.5
255.21263	1.7
257.19183	1.5
261.16388	2.4
263.17944	3.2
265.15787	2.9
265.19543	2.6
267.17517	3.4
267.21072	2.5
269.18976	2.3
275.17822	2.1
277.19513	4.1
278.20139	1.4
279.17493	2.2
279.21201	3.1
281.19229	2.1
281.22629	2.2
289.22021	1.5
291.17331	1.4
291.20950	1.7
293.18979	4.6
293.22592	3.0
295.17307	2.3
295.20514	7.8
296.21310	3.4
297.22043	1.6
307.20599	2.8
307.24188	1.4
309.18472	1.6
309.22012	2.8
311.20499	1.8
311.23755	7.0
321.22049	2.8
321.25598	1.7
327.23178	2.5
336.24353	1.3
337.27725	2.0
339.23181	2.0
339.26852	4.5
347.23911	1.2
375.26773	1.4
377.24594	1.8
391.26520	1.5
393.27786	1.8
407.33188	3.7
417.27396	8.9
417.32401	17.4
418.32312	2.4
435.28055	33.9
435.33536	100.0
436.28439	4.7
436.32916	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3256
Annotation	Myltaylorione B
Peak:m/z	Relative Intensity
53.03938	2.5
55.01872	1.6
55.05510	15.7
55.42135	1.1
57.03432	1.4
57.07076	2.7
65.03931	2.4
67.05505	29.7
69.03428	2.2
69.07066	15.5
71.04977	1.4
79.05492	19.3
81.03417	1.8
81.07056	41.2
82.07383	1.0
83.04976	5.4
83.08635	6.6
85.02933	1.7
85.06539	2.0
91.05476	24.8
91.06008	1.8
92.05839	1.3
93.07046	35.9
94.07364	1.1
95.04976	8.1
95.08607	54.4
96.08952	1.9
97.06522	6.6
97.10173	4.0
99.08097	2.1
103.05511	1.7
105.03414	1.7
105.04504	1.4
105.07033	44.4
106.07352	1.2
107.04956	1.4
107.08592	48.0
109.06527	8.1
109.10153	31.0
111.08067	5.8
113.06013	1.5
115.05427	1.7
117.07030	11.9
119.06065	1.5
119.08578	46.2
120.08900	2.4
120.95754	1.0
121.06515	6.1
121.10148	24.6
122.34081	1.1
123.08073	12.3
123.11696	11.4
125.06058	1.6
125.09620	6.9
128.06204	3.8
129.06966	10.7
130.07784	3.6
131.08572	24.9
133.06503	2.7
133.10126	29.3
135.04428	1.2
135.08041	7.1
135.11702	13.7
137.05974	3.0
137.09622	5.3
137.13266	3.5
139.07558	1.5
139.11217	5.2
141.06981	5.4
141.09128	1.1
142.07774	6.8
143.08560	32.6
143.09660	2.2
144.09314	2.9
145.06557	1.6
145.10130	36.0
147.08066	7.3
147.11690	19.9
149.09589	5.4
149.13255	8.1
151.07549	1.2
151.11176	3.4
153.05479	4.1
153.06741	0.9
153.09134	2.3
154.07736	2.1
155.08543	13.5
155.10602	1.0
156.09361	8.2
157.10132	34.0
158.10887	4.7
159.08069	4.2
159.11700	29.3
160.08807	1.1
160.12047	1.2
161.09618	9.5
161.13264	12.1
163.11166	4.6
163.14815	3.7
165.06973	2.1
165.09178	1.4
166.07820	1.5
167.08571	3.9
167.10704	1.2
168.09315	3.0
169.10139	18.6
170.10893	6.0
171.11684	26.0
172.12187	2.1
173.09628	5.9
173.13266	19.8
175.11267	7.7
175.14818	10.2
176.15233	1.4
177.12790	4.0
177.16359	2.1
179.08604	2.8
179.10757	1.6
180.09375	2.5
181.10147	8.9
181.11674	1.2
181.12187	1.1
182.10857	4.3
183.11699	17.2
184.12389	2.1
185.09642	2.0
185.13255	22.0
185.14789	2.1
186.13757	2.0
187.11238	4.1
187.14813	16.3
189.12706	6.0
189.16406	6.1
191.10535	1.1
191.14333	4.1
191.17957	1.2
193.10069	4.1
194.10825	3.0
195.11703	10.1
195.13588	2.1
196.12469	3.6
197.09712	1.4
197.13277	15.4
198.13828	2.3
199.11133	1.4
199.14822	25.8
200.15172	1.9
201.12770	7.3
201.16415	14.6
203.14380	7.0
203.17975	3.7
205.10204	1.9
205.12215	1.3
205.15912	2.0
206.10971	1.2
207.11682	3.1
208.12494	1.7
209.13301	9.3
210.13992	3.0
211.11343	1.5
211.14796	15.3
213.12703	3.8
213.16359	20.1
214.16835	1.2
215.12517	1.3
215.14272	6.8
215.17892	5.4
217.15912	6.0
219.11760	1.9
219.13751	2.2
219.17384	1.3
221.13263	5.5
221.15172	1.9
223.14815	8.3
224.15366	1.6
225.12747	2.6
225.16393	9.7
227.14323	5.1
227.17824	5.9
229.15962	6.3
229.19487	1.6
231.17474	3.7
233.13268	1.6
233.15337	1.8
235.14854	4.4
235.17014	3.0
237.16397	7.7
238.17068	2.6
239.14284	2.1
239.17888	5.3
241.15875	3.4
241.19518	2.4
243.17444	3.9
245.15495	1.5
247.14795	1.6
249.16408	2.2
251.17932	4.5
253.15877	3.5
253.19601	6.8
255.17607	2.2
257.18997	2.3
261.16251	1.4
263.18076	2.2
265.16202	1.1
265.19467	2.3
266.19916	1.2
267.17618	2.3
267.21072	3.6
269.19168	1.1
271.20560	1.4
275.17874	1.9
277.19467	3.7
279.17386	1.3
279.21063	3.0
280.17999	1.5
281.18985	13.7
282.19232	1.8
283.20645	1.6
285.21960	1.6
291.20898	1.7
293.19376	1.2
293.22641	3.3
294.19550	1.2
295.20636	8.4
296.21347	29.1
297.21875	4.7
309.22205	3.7
311.20456	1.6
311.23721	5.9
313.21579	1.1
321.22287	2.0
321.25818	1.8
325.21530	2.2
325.25171	2.2
327.23325	1.7
336.24518	1.4
337.25098	2.4
339.26959	3.4
375.26880	1.8
379.25961	2.2
389.32108	2.4
393.27856	2.1
407.33334	5.6
417.27063	2.8
417.31717	18.5
418.32202	1.4
420.26132	1.3
435.28094	37.1
435.32626	100.0
436.28580	5.3
436.32922	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.347
Annotation	amomol A
Peak:m/z	Relative Intensity
53.03938	0.3
55.01862	0.8
55.05514	1.3
57.07069	0.4
63.99667	0.2
65.03945	0.2
66.17119	0.2
67.05505	1.5
69.01630	0.2
69.03448	0.3
69.07071	1.8
71.08620	0.4
75.03712	0.2
75.99998	0.2
77.24445	0.2
79.05474	0.6
80.75237	0.2
81.07059	1.8
83.04982	0.7
83.08605	0.7
85.06534	0.4
89.06052	0.3
91.05510	1.1
93.07050	1.4
95.04970	0.3
95.08608	2.2
96.08978	0.2
97.06514	0.2
97.10178	0.3
99.00806	0.6
99.04465	3.5
105.07037	1.7
107.08611	1.3
109.06541	0.5
109.10159	1.0
111.04450	4.1
111.08048	0.2
111.84678	0.2
113.02293	0.3
117.06995	0.4
119.08571	1.8
121.06490	0.2
121.10151	0.6
123.08056	0.7
123.11695	0.4
125.05995	10.4
126.06329	0.4
128.06226	0.2
129.06982	0.6
131.08546	0.7
133.10109	0.9
135.08044	0.3
135.11662	0.5
137.05937	0.4
137.09665	0.3
141.05470	5.3
141.07040	0.2
142.07765	0.4
143.08594	0.9
144.38472	0.2
145.10165	1.3
147.08089	0.4
147.11693	0.6
149.09619	0.4
153.05466	100.0
154.05804	3.1
155.08575	0.7
156.09370	0.5
157.10115	1.2
157.69511	0.2
159.11699	0.6
161.09654	0.4
161.13266	0.3
163.11244	0.2
167.07042	0.8
167.08495	0.4
169.10149	1.0
171.11684	1.0
173.09674	0.4
173.13277	0.4
175.11183	0.2
178.40572	0.2
179.08432	0.2
181.08528	0.4
181.10147	0.6
182.10811	0.3
183.11679	0.9
185.09618	0.4
185.13274	0.4
187.11267	0.2
187.14842	0.4
189.12817	0.3
193.05891	0.2
193.10020	0.5
195.11693	0.5
197.13251	0.7
198.13687	0.2
199.11075	0.3
199.14780	0.4
205.10271	0.3
205.12245	0.2
206.11020	0.3
207.11745	0.5
209.13289	0.8
211.11333	0.2
211.14815	0.3
213.12749	0.3
213.16357	0.3
219.11852	0.3
221.13254	0.6
223.14842	0.5
224.15401	0.3
225.16403	0.4
227.14375	0.3
229.15901	0.3
235.14861	0.2
237.12720	0.3
237.16449	0.3
239.14348	0.5
241.12302	0.3
241.15913	0.4
249.16382	0.3
251.18182	0.2
255.17419	0.2
261.16498	0.2
277.19501	0.4
295.20502	0.5
296.21268	0.5
391.26276	0.3
417.28238	1.2
417.33591	26.5
418.28561	0.3
418.33884	2.9
435.28873	4.7
435.34619	8.5
436.29254	0.5
436.34967	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3831
Annotation	Taiwaniasterol D
Peak:m/z	Relative Intensity
55.05509	46.3
57.07078	47.7
67.05494	29.0
69.07071	49.4
69.12620	5.6
69.12892	51.6
71.08642	34.5
74.61506	5.8
79.05501	26.9
79.48359	5.9
81.07056	64.9
82.34722	7.3
83.08622	42.1
85.10188	34.0
85.33230	6.9
91.05482	18.8
93.07041	45.7
95.08600	63.9
97.10168	23.2
98.22644	14.1
105.07021	50.7
107.08596	59.7
109.06528	6.4
109.10161	49.0
111.11708	11.6
117.07005	8.3
119.08577	40.3
121.10115	34.7
123.08039	6.4
123.11691	27.9
125.09608	10.9
127.03941	42.4
129.12637	6.4
131.08571	18.5
131.42595	6.2
133.10121	35.0
135.11699	27.0
137.13222	8.9
141.05455	19.1
143.08595	6.7
145.10095	18.9
147.11676	36.0
149.13295	19.8
153.05426	10.4
155.07014	9.2
157.10132	12.8
159.08113	6.4
159.11674	12.9
161.13261	21.6
163.11259	10.6
163.14864	8.5
169.04964	19.4
169.10059	7.4
173.09454	7.7
173.13307	11.0
175.11067	7.7
175.14859	18.5
183.10098	7.9
189.16357	8.9
199.14876	8.7
201.16428	10.7
203.17912	19.1
207.13832	8.5
209.13329	6.7
217.19530	10.0
225.11145	9.6
235.17055	7.7
239.12628	9.1
301.29114	8.8
357.35080	32.1
358.05359	7.7
381.35123	10.3
399.36221	100.0
400.36203	16.3
417.37326	55.2
435.28424	19.1
435.33026	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96541	4.1
57.03453	24.4
59.04997	9.2
64.67294	5.0
69.03431	83.8
69.50716	24.2
70.06580	4.5
73.02917	7.2
85.02911	76.6
87.04472	63.0
93.03391	7.1
97.02888	78.2
105.07063	6.0
107.04965	5.3
111.04408	6.7
115.03929	95.7
123.04431	13.4
125.05984	42.2
127.03902	16.6
128.04214	4.2
131.29344	3.9
133.04974	100.0
135.04372	6.9
137.05974	15.1
139.03889	7.2
145.04982	20.9
150.07629	10.7
151.03909	4.7
163.07587	4.0
241.06995	4.6
246.16951	4.4
257.14072	5.5
436.18658	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.4
53.03947	0.6
53.58695	0.4
56.96559	1.1
57.47304	0.3
69.30119	2.3
77.03859	0.4
79.05486	4.1
89.03919	1.4
93.07051	0.4
95.04981	0.8
103.05468	2.7
105.07027	100.0
106.07352	3.3
107.04951	1.5
108.35625	0.4
115.13122	0.4
117.03387	2.1
119.01909	1.7
119.04919	1.1
121.10136	0.9
122.09664	46.7
123.09997	1.3
135.04404	5.2
143.00243	0.5
145.02769	2.9
147.04411	1.7
153.05461	1.3
163.03905	15.8
171.04878	0.4
185.02997	0.6
187.04503	0.9
221.02919	4.5
239.02066	0.6
239.04190	0.5
271.04495	1.8
275.06119	1.4
289.05493	1.1
300.64606	0.4
300.72208	0.4
313.05399	0.4
317.05118	0.5
349.52554	0.4
359.06012	0.4
377.07333	3.2
395.08063	0.4
419.08206	0.7
437.09351	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	8.7
67.05502	13.4
69.03301	70.5
69.07048	7.5
81.07037	13.9
91.05482	19.5
95.08615	12.9
98.23429	14.3
105.07017	13.0
109.06427	7.9
113.35110	7.9
131.16803	7.5
133.10136	11.7
136.80762	8.9
147.04382	11.8
190.96576	8.1
219.10022	12.2
281.08084	17.6
286.08221	10.4
287.05502	8.0
302.07751	19.9
303.04974	10.8
317.10101	42.1
329.10184	11.8
333.09586	28.6
344.12555	15.2
345.13309	29.9
369.13281	25.5
370.14194	22.5
401.15945	100.0
422.95590	8.5
436.20258	24.6
437.21506	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
55.05510	20.1
69.03428	7.6
69.13834	14.3
71.04996	8.5
81.03418	3.8
83.08624	100.0
84.08945	2.2
85.02901	29.2
87.00835	13.1
90.60632	1.6
91.08186	1.8
93.07062	2.7
97.02894	8.7
99.04428	3.9
105.01869	45.1
109.02883	4.1
123.04329	2.1
127.03936	17.9
135.11690	1.7
137.05992	2.2
141.30409	1.6
145.04961	12.3
193.99300	2.0
231.05032	10.1
249.06097	15.7
304.05380	5.1
437.21463	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.2
53.36636	1.2
55.05512	2.4
58.51149	1.3
60.63491	1.2
67.05502	7.6
68.67970	1.2
69.03423	3.9
69.07072	2.0
69.42922	8.8
71.04979	2.5
79.05492	6.0
81.03423	2.0
81.07057	24.8
83.08625	3.0
85.02908	10.4
91.05481	8.7
93.07037	13.6
94.48515	1.4
94.54383	1.4
95.04977	1.5
95.08605	20.1
97.02911	2.7
97.06548	3.6
98.23293	2.8
105.07034	13.1
107.04938	3.1
107.08577	6.5
109.10143	4.0
119.04940	2.2
119.08587	18.1
120.05270	1.6
121.10141	2.9
123.04468	1.5
123.08089	1.8
127.03938	5.1
131.08623	1.8
133.10123	15.1
135.11601	1.9
137.05980	3.1
145.04939	1.6
145.10156	2.7
147.04425	9.1
147.08012	2.9
147.11684	18.6
148.04739	6.7
149.13257	26.7
150.13631	1.5
153.01877	1.4
157.10158	3.4
159.11748	2.8
165.09143	3.3
173.13289	1.6
175.11282	6.4
175.14830	78.5
176.15193	3.8
181.04906	1.5
182.00439	1.3
182.15382	1.7
185.13300	9.1
185.14720	1.6
193.15910	9.7
203.14331	57.5
204.14616	2.1
210.15015	2.0
221.15369	100.0
222.15747	3.6
239.16420	47.4
240.16739	3.6
257.17426	5.7
304.05307	2.2
308.85229	1.3
437.21164	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.2
53.36636	1.2
55.05512	2.4
58.51149	1.3
60.63491	1.2
67.05502	7.6
68.67970	1.2
69.03423	3.9
69.07072	2.0
69.42922	8.8
71.04979	2.5
79.05492	6.0
81.03423	2.0
81.07057	24.8
83.08625	3.0
85.02908	10.4
91.05481	8.7
93.07037	13.6
94.48515	1.4
94.54383	1.4
95.04977	1.5
95.08605	20.1
97.02911	2.7
97.06548	3.6
98.23293	2.8
105.07034	13.1
107.04938	3.1
107.08577	6.5
109.10143	4.0
119.04940	2.2
119.08587	18.1
120.05270	1.6
121.10141	2.9
123.04468	1.5
123.08089	1.8
127.03938	5.1
131.08623	1.8
133.10123	15.1
135.11601	1.9
137.05980	3.1
145.04939	1.6
145.10156	2.7
147.04425	9.1
147.08012	2.9
147.11684	18.6
148.04739	6.7
149.13257	26.7
150.13631	1.5
153.01877	1.4
157.10158	3.4
159.11748	2.8
165.09143	3.3
173.13289	1.6
175.11282	6.4
175.14830	78.5
176.15193	3.8
181.04906	1.5
182.00439	1.3
182.15382	1.7
185.13300	9.1
185.14720	1.6
193.15910	9.7
203.14331	57.5
204.14616	2.1
210.15015	2.0
221.15369	100.0
222.15747	3.6
239.16420	47.4
240.16739	3.6
257.17426	5.7
304.05307	2.2
308.85229	1.3
437.21164	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24122	1.9
53.03973	2.4
55.01865	2.9
55.05503	5.0
61.02904	3.9
67.05501	7.3
67.47010	2.2
69.03429	5.2
69.07075	4.9
69.47972	11.9
71.05000	3.0
77.19514	1.9
79.05517	10.0
81.03411	2.8
81.07059	28.9
83.04982	2.8
83.08611	2.3
85.02899	12.9
91.05486	19.1
93.07043	24.3
95.04993	5.4
95.08606	18.2
97.02898	5.1
97.06544	6.9
105.07036	39.2
107.04961	4.9
107.08594	19.9
109.06535	9.0
109.10135	13.3
111.08080	2.9
117.07024	7.1
119.08584	37.2
121.06542	5.8
121.10173	11.6
123.08072	4.9
123.11649	2.9
128.06236	2.8
131.08575	8.5
133.06526	3.2
133.10124	32.2
134.10474	3.7
135.08052	3.1
135.11691	18.9
137.06020	2.6
137.09625	3.5
143.08572	16.6
143.73633	2.5
145.04990	3.3
145.10120	42.3
147.08078	5.4
147.11679	26.8
149.13234	4.8
151.07542	3.9
157.10138	8.5
159.11716	8.8
161.05988	7.9
161.09593	12.0
161.13223	9.8
162.06308	5.6
163.11188	44.5
163.12488	3.3
163.14890	3.1
173.13301	6.4
175.11198	6.3
175.14841	53.4
181.12407	2.3
185.13274	23.7
189.09222	2.1
190.09407	4.8
191.14311	15.0
193.15868	7.2
203.14308	75.1
203.17924	4.2
204.14743	2.7
207.10321	4.2
208.10558	5.6
217.17545	2.3
221.15369	56.1
221.18913	3.3
222.15726	3.7
239.16418	100.0
240.16771	4.0
257.17813	2.4
436.22610	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.9
55.05516	3.7
55.93106	1.3
57.03440	3.0
57.07079	39.9
61.02922	4.8
67.05510	8.7
69.03436	7.2
69.07054	3.5
71.05005	3.5
71.29071	1.5
79.05502	5.9
81.03409	2.8
81.07050	5.7
82.10677	1.5
83.04969	4.0
85.02912	24.2
85.06548	36.0
85.07076	1.9
91.05479	2.6
93.07046	7.0
95.04979	12.0
95.08617	20.2
97.02885	7.9
97.06609	1.4
99.04460	2.4
105.07047	5.4
107.08604	7.5
109.02924	2.5
109.06514	37.0
109.10162	9.0
110.06821	1.7
111.04429	1.8
111.08102	2.4
111.94643	1.5
119.08588	5.1
121.10133	2.9
123.08096	7.6
125.09673	2.1
127.03934	3.6
128.49565	1.4
131.08582	1.7
133.10091	1.9
137.09619	10.4
142.07756	1.6
143.08542	1.6
145.04997	2.6
145.10100	2.4
147.08057	3.2
153.09064	8.3
155.08662	3.1
155.10667	24.3
157.10042	2.5
161.13205	2.5
163.07582	1.5
165.09087	3.7
169.10242	2.2
175.14870	1.6
179.14325	23.4
182.07230	1.4
193.15941	1.9
195.11752	2.1
221.13367	2.1
221.15300	9.4
239.16417	100.0
240.16811	4.6
257.17465	38.5
258.17709	2.8
419.22058	1.9
436.21701	2.2
437.22781	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	4.2
67.05495	11.9
69.03434	21.6
69.07074	4.3
70.41225	3.4
70.41566	6.8
74.69392	2.5
78.69396	2.4
79.05482	5.1
81.03440	2.5
81.07058	54.9
83.04958	2.7
85.02902	16.2
91.05489	8.3
93.07049	13.7
95.04986	4.2
95.08630	16.9
97.02930	2.8
97.06551	4.9
99.04374	2.7
103.55119	2.3
105.07039	10.7
107.08582	10.2
109.06482	5.7
109.10192	7.3
119.04975	3.5
119.08624	6.7
121.10146	10.0
123.08080	5.4
123.11723	10.2
130.77278	2.6
133.10149	3.2
135.08095	3.2
135.11708	6.2
137.05974	9.8
139.07547	15.8
139.11188	5.2
143.04930	3.5
143.08606	2.7
145.04944	5.0
145.06454	2.7
145.10107	3.3
147.11726	4.5
149.13293	3.1
151.07602	6.6
157.06525	3.3
161.06021	4.1
161.13336	3.6
163.14822	27.5
169.06497	2.6
171.07988	4.1
173.09665	3.5
179.07098	3.5
181.10207	3.0
183.08076	2.7
193.10161	5.1
195.08102	3.3
195.11780	2.7
203.17982	41.7
205.19566	6.8
220.08823	3.0
221.19020	46.5
221.21182	3.0
222.19373	3.2
235.11182	8.0
251.10629	3.1
261.12924	3.9
263.10764	4.5
275.14188	4.4
299.12875	5.2
325.06281	2.6
367.17087	3.7
391.18954	6.5
409.20013	7.2
419.18597	11.8
436.20535	12.9
437.21426	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.5
56.96564	26.2
59.30428	0.4
62.88044	0.4
64.27195	0.4
65.03931	2.3
67.46925	0.4
68.90461	0.4
68.99799	0.5
69.03434	0.5
70.26926	0.4
70.60111	1.3
79.38824	0.4
81.07055	0.4
84.96023	2.3
85.02880	1.0
91.05480	18.9
98.97571	3.5
107.04932	0.6
111.04442	0.6
112.90746	0.4
116.98611	2.5
119.04943	33.6
120.05244	1.3
123.04431	1.6
124.07581	1.2
124.99112	4.7
125.07906	0.5
125.09682	0.5
131.00139	0.8
134.99644	1.4
135.04405	0.9
139.00685	0.5
139.03920	0.6
141.02206	1.0
143.00154	12.3
143.01225	0.8
147.04404	100.0
148.04741	3.2
150.05444	0.7
152.85437	0.4
152.98557	0.9
155.87070	0.4
159.03261	0.9
161.01237	7.1
163.03876	1.0
168.98090	1.6
169.01736	1.5
170.99658	1.9
173.13193	0.7
175.03873	0.5
177.02356	0.5
179.02228	1.0
179.08768	0.5
185.01260	2.3
186.99092	2.7
187.02777	1.5
189.00705	3.0
191.00148	1.0
191.03328	0.6
195.03284	2.4
203.00220	1.9
203.02269	1.9
205.00186	1.3
207.08116	1.0
209.01234	1.7
211.02695	0.5
213.00729	1.6
213.04245	2.7
221.01193	5.3
222.01694	0.6
231.01767	1.6
235.02837	0.7
235.07570	1.1
239.02258	20.3
240.02545	1.1
245.01181	0.7
249.02794	1.0
253.03896	0.9
257.03308	12.4
258.03696	0.8
262.03821	0.8
263.02304	2.0
263.07071	1.8
271.02615	0.6
275.05365	1.1
281.03247	1.1
289.03873	2.1
291.01303	0.6
291.03989	0.7
291.06537	2.7
299.05609	0.4
303.05490	0.6
307.04861	3.9
309.04855	1.3
315.01721	3.0
315.05176	1.2
325.05777	0.7
331.04965	3.6
333.02805	7.6
333.06458	1.1
349.05884	1.9
351.03818	1.0
359.04401	3.0
377.05423	7.0
395.06461	8.8
413.07541	18.3
414.07864	1.6
419.07141	0.7
431.08475	1.0
437.07681	2.7
437.14005	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0928
Annotation	Hamigeran C
Peak:m/z	Relative Intensity
54.04484	0.4
63.02377	0.8
69.03445	0.6
70.73573	0.6
70.73900	0.6
76.20071	0.4
79.05495	1.3
83.04989	0.7
89.03917	10.2
95.04971	1.1
101.00854	2.6
105.00368	0.5
107.04967	2.6
109.57559	0.5
111.04434	0.5
117.03383	12.5
119.01917	5.0
121.02864	1.0
127.02402	1.1
131.01866	0.5
131.67824	0.5
135.04411	24.5
136.04729	0.6
137.03006	1.0
145.02768	17.2
146.03178	0.5
155.01915	0.8
157.03444	0.8
161.02986	0.7
163.03900	100.0
164.04234	2.9
169.03450	4.2
171.05089	0.8
173.02924	0.9
185.00972	1.6
185.03018	2.1
187.04503	3.9
193.03479	1.0
195.04936	0.8
197.02924	1.1
203.01918	2.5
203.03889	0.9
205.05579	0.6
209.02922	0.6
211.04556	0.6
215.04022	1.1
221.02957	37.6
222.03137	2.5
229.05635	1.4
239.03964	6.1
240.04169	0.5
245.02873	1.1
247.04408	0.6
247.06636	0.7
257.05060	1.6
261.04437	0.9
263.04007	1.7
263.06406	0.6
271.04504	13.7
272.04663	1.0
273.06107	1.4
275.03162	0.8
275.06110	9.6
276.06302	0.5
281.05124	0.5
285.06018	0.4
287.03958	1.3
289.05560	5.3
290.05746	0.6
293.07141	1.8
293.65546	0.4
295.04300	1.0
297.05997	1.3
299.03867	3.0
300.04013	0.6
307.06473	0.9
313.05493	1.8
315.03558	0.8
315.07114	0.6
317.05029	1.9
319.08163	0.6
331.06595	5.4
332.06793	0.5
333.04880	0.6
337.08966	0.5
341.05060	1.4
349.07697	4.8
350.07925	0.6
359.06143	3.5
377.07159	23.6
378.07355	3.0
395.08301	3.8
396.08160	0.5
401.07239	1.2
419.08182	4.0
420.08438	0.8
437.02872	1.0
437.09192	5.7
437.13934	2.9
438.09158	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03355	0.3
53.03938	1.0
53.63366	0.2
55.01869	0.8
57.03435	0.4
61.02925	0.3
61.20624	0.3
63.78602	0.3
67.05515	0.4
69.04883	0.7
69.05306	1.9
79.05487	1.2
81.03439	0.6
81.07064	0.3
83.04971	0.5
85.02898	2.1
91.05437	0.5
95.04970	1.1
97.02908	0.3
103.03946	0.7
105.04515	0.5
105.07034	0.5
107.04955	100.0
108.05270	2.7
109.02896	0.8
121.02881	0.6
121.06496	0.6
121.10136	0.3
123.04457	1.4
127.03918	0.5
129.07014	0.3
131.04941	1.1
139.03868	2.3
145.06491	0.5
147.04413	0.8
149.06033	1.3
151.03886	4.3
161.05992	0.6
163.03899	2.5
165.05490	1.1
169.05025	0.9
171.04416	0.3
173.05962	0.7
175.03877	0.4
177.05548	0.3
181.04965	4.5
184.99249	0.3
187.03949	0.6
189.05469	0.6
191.03520	0.3
193.04976	6.9
193.06654	0.5
203.17989	0.4
205.04910	2.3
207.06448	1.8
211.06020	4.4
217.04869	0.7
223.05946	0.4
229.04945	1.1
235.05992	5.8
241.04977	0.9
247.06013	3.3
259.06021	2.6
270.76053	0.3
275.09137	1.8
277.07123	1.3
287.09131	5.4
295.08173	0.6
299.09177	2.6
317.10208	4.8
318.10419	0.4
323.08881	0.4
335.09250	0.6
341.06082	0.4
341.10187	6.9
342.10596	0.4
353.10147	6.2
354.10562	0.6
365.10175	3.1
383.11209	1.6
401.12360	1.0
437.21524	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28310	0.6
50.83220	0.7
51.02377	0.7
53.03943	2.3
54.77669	0.6
55.01871	2.9
55.05508	4.8
65.03939	1.9
67.05502	15.4
69.03412	11.1
69.03817	1.3
69.07066	2.0
71.04969	0.8
79.05494	12.1
81.03430	1.6
81.06575	1.5
81.07053	29.9
83.04993	3.6
87.30363	0.6
91.05477	14.6
93.03387	0.7
93.07035	9.5
95.04971	9.1
95.08603	40.8
96.08944	1.4
97.02875	8.2
97.06509	2.3
97.66460	0.6
99.04428	4.4
103.05444	3.2
105.03366	1.0
105.07023	13.1
107.04929	2.0
107.08590	11.3
109.02882	1.0
109.06517	23.0
109.10127	2.1
111.04449	2.0
111.08070	2.5
113.06020	0.8
115.05421	4.2
116.06179	0.6
117.07026	6.2
119.04920	1.9
119.08580	7.4
121.06503	6.1
121.10121	1.8
122.07290	1.4
123.04379	1.3
123.08066	24.7
125.06060	1.0
125.09619	2.6
128.06212	6.7
129.06999	6.6
130.07771	1.6
131.04932	4.4
131.08571	6.7
133.06499	9.0
133.10117	3.1
135.04344	1.0
135.08081	3.6
135.11678	0.8
137.05969	28.8
138.06390	1.1
141.06966	8.2
141.24556	0.7
142.07755	2.4
143.04938	1.4
143.08557	13.2
144.05652	3.1
145.06474	30.0
145.10123	5.5
146.07004	0.9
147.04370	1.1
147.08035	10.0
149.05977	3.4
149.09662	2.3
151.07544	15.4
152.06175	1.5
153.06993	2.6
153.08965	0.7
154.07701	2.1
155.08533	10.6
156.09250	1.0
157.06500	5.3
157.10109	5.8
158.07271	8.6
159.04453	2.2
159.08052	18.1
159.11710	1.7
160.08595	1.0
161.06018	4.0
161.09634	4.1
162.06787	1.2
163.07530	2.5
165.06993	4.4
165.09103	7.6
166.07771	2.5
167.08533	5.7
167.10657	1.2
168.09241	1.5
169.06473	4.9
169.10118	4.1
170.07304	1.7
171.08040	18.9
171.11644	1.0
172.08682	2.2
173.06018	5.4
173.09627	9.2
174.06700	0.8
174.10266	1.3
175.07542	3.4
175.11137	0.7
177.09116	2.5
178.07709	3.8
179.07101	1.2
179.08533	6.9
180.07806	0.9
180.09306	2.5
181.06479	2.5
181.10115	5.8
182.07280	2.9
182.10733	1.5
183.08035	9.4
183.11705	2.7
184.08757	2.2
184.12024	0.7
185.05978	2.6
185.09631	6.1
186.10182	0.9
187.07520	7.8
187.11147	1.0
188.08017	1.1
189.07205	1.1
189.09090	1.7
190.07820	0.8
191.06978	1.1
191.08591	2.7
192.09314	5.5
193.08563	1.4
193.10107	6.2
194.10715	1.0
195.08020	5.6
195.11693	5.9
196.08844	3.2
196.12236	0.7
197.05989	2.1
197.09595	6.3
197.13303	1.4
198.06648	0.9
198.10233	1.2
199.07507	2.2
199.11179	3.1
201.09100	5.8
202.07811	3.2
203.06886	1.4
203.08531	2.6
203.10320	0.7
204.09305	2.0
205.06523	0.8
205.10223	3.7
206.07274	1.0
207.08017	2.6
207.11699	6.6
208.08849	1.3
208.12453	1.3
209.09642	6.4
209.13252	3.4
210.10342	2.6
211.07481	4.0
211.11180	5.5
211.14821	1.3
212.11792	1.2
213.09135	2.2
215.07001	2.4
215.08798	1.0
215.10596	1.5
217.10179	6.3
218.10838	3.1
219.08003	2.9
219.11694	4.5
220.08759	4.9
220.12140	1.1
221.09624	6.7
221.13155	1.6
222.10425	3.3
222.13989	0.9
223.07655	1.3
223.11147	5.8
223.14737	1.9
224.08249	0.8
224.11882	1.6
225.09134	3.2
225.12749	4.0
227.10678	2.3
228.09309	0.8
229.08405	1.1
231.08096	1.2
231.11807	1.3
232.08836	1.0
232.12405	1.4
233.09573	3.3
233.13208	3.5
234.10320	1.5
235.07515	1.6
235.11188	17.1
235.14729	1.1
236.08238	0.9
236.11853	3.7
237.08987	2.6
237.12741	9.0
237.16380	1.8
238.09700	1.2
238.13432	1.2
239.10649	5.3
239.14296	2.0
241.08572	1.8
241.12183	1.3
242.10941	1.1
243.10011	4.8
245.09616	8.4
245.13168	0.8
246.10439	4.2
247.11307	3.2
247.14754	2.4
248.08359	2.0
249.09129	2.0
249.12854	6.2
250.13460	1.6
251.10652	5.7
251.14267	7.5
252.11018	1.3
252.14790	1.1
253.12212	10.0
254.12849	1.3
255.13948	1.3
257.11551	1.3
259.11319	1.1
260.11926	2.9
261.12817	4.0
262.13068	0.8
263.10654	11.1
263.14215	2.0
264.11264	2.7
265.12222	3.1
265.15802	6.0
267.10168	2.1
267.13876	5.0
269.11664	1.7
269.15524	1.2
273.12674	1.0
274.13446	0.8
275.14319	7.4
276.14816	1.0
277.12097	2.7
278.12833	1.1
279.13806	6.7
281.11722	9.4
281.15045	1.5
282.12289	1.4
283.09793	1.1
283.13199	2.1
285.10834	1.2
285.13062	1.2
286.13586	0.9
289.12201	1.3
291.13828	1.7
293.15277	8.0
295.09869	1.5
295.13174	9.7
296.13834	1.1
297.14822	2.3
297.18488	4.6
299.12784	15.4
300.13269	0.8
303.13809	5.0
304.14627	1.6
309.11118	2.5
309.14703	1.6
311.16431	2.8
313.10608	1.9
313.15805	0.8
321.14819	5.7
321.18195	1.0
322.15555	1.2
331.11862	0.8
335.16479	1.1
339.15805	4.0
345.18259	0.8
347.16241	1.6
349.17847	1.1
359.16360	1.9
361.13687	0.8
363.19443	1.8
364.24695	0.8
373.17850	4.2
375.15695	1.7
377.17346	2.0
377.24765	0.8
391.18958	11.5
392.19238	1.6
393.16919	2.6
401.17334	5.7
402.17874	1.0
409.20023	9.8
410.20398	1.4
419.13071	1.5
419.18457	22.7
420.18857	3.1
437.19485	100.0
438.19910	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67055	0.7
53.03943	1.9
54.00270	0.6
55.01874	1.9
55.05514	3.2
57.07060	0.9
57.26936	0.7
63.22653	0.6
65.03935	1.1
66.07897	0.7
67.05499	10.1
69.03431	5.1
69.07059	1.9
70.17948	1.3
71.05000	1.6
73.19618	0.7
79.05499	8.9
80.29161	0.7
81.03419	1.7
81.07057	27.7
82.07388	0.7
83.04971	2.5
91.05490	11.7
93.07047	7.6
95.04973	8.2
95.08613	33.7
96.08925	1.4
97.02892	5.5
97.06529	2.0
99.04454	5.0
103.05488	1.7
105.07039	12.5
107.04975	2.2
107.08602	8.5
109.02898	1.0
109.06523	19.6
109.10165	0.7
111.04431	2.1
111.08076	2.1
115.05415	3.6
117.07041	4.5
119.04951	1.1
119.08590	6.4
121.06528	5.6
121.10117	1.0
122.07343	1.5
123.04426	0.8
123.08074	21.9
124.08458	1.0
125.09634	2.3
128.06229	6.8
129.07021	7.5
131.04939	3.5
131.08583	6.4
131.98648	0.7
132.05725	0.9
133.06511	8.1
133.10168	1.4
135.08047	4.6
137.05972	26.3
138.06277	1.0
139.07550	0.9
141.06989	6.2
142.07762	1.7
143.04863	1.2
143.08559	10.7
144.05736	1.6
145.06488	24.6
145.10112	2.8
146.07045	0.9
147.04387	1.3
147.08037	6.9
149.05968	3.8
149.09621	1.6
151.07550	17.7
152.06216	0.8
153.06998	2.4
154.07744	1.2
155.05971	0.8
155.08557	8.7
156.09203	0.9
157.06480	4.0
157.10135	3.1
158.07286	6.7
159.04402	1.6
159.08051	16.2
160.08548	1.3
161.05995	2.5
161.09662	3.2
162.06825	1.0
163.07539	2.1
165.06990	3.1
165.09132	7.1
166.07741	2.0
167.07195	1.1
167.08571	4.0
167.10666	0.8
167.43938	0.8
168.05733	0.7
168.09296	1.6
169.06505	4.8
169.10114	4.2
170.07245	2.1
171.08051	16.0
172.08662	1.3
173.06006	4.1
173.09619	8.1
174.06468	0.8
174.10295	1.1
175.07542	4.5
175.11250	0.9
177.09096	2.0
178.07838	2.6
179.08505	5.2
180.09352	2.3
181.06479	3.0
181.10110	4.1
182.07321	2.7
183.08032	6.8
183.11691	2.0
184.08788	2.0
185.06020	2.5
185.09621	6.3
186.06740	1.2
187.07544	7.5
187.11218	1.0
189.09131	1.5
190.07860	0.9
191.07037	0.9
191.08569	2.3
192.09364	4.9
193.08664	1.2
193.10170	5.7
194.07347	1.4
194.10950	1.4
195.08018	5.4
195.11690	3.5
196.08835	2.4
197.05966	1.3
197.09630	7.5
198.10027	0.8
199.07550	1.9
199.11195	2.4
201.09103	5.5
202.07785	2.8
203.06863	0.9
203.08557	2.1
203.10640	0.7
204.09358	1.9
205.06564	0.8
205.10194	2.7
207.08078	2.1
207.11682	4.3
208.08798	2.3
208.12148	1.0
209.09634	6.0
209.13261	2.5
210.10388	2.3
211.07565	2.3
211.11195	4.4
212.08153	1.3
213.09174	2.3
213.12679	0.9
215.07024	2.1
215.10680	1.6
216.09373	1.5
217.10139	4.5
218.10814	1.4
219.07991	2.2
219.11749	3.6
220.08888	4.2
221.09625	5.1
221.13283	1.9
222.10362	3.5
223.07587	1.0
223.11160	4.7
223.14771	1.5
224.08241	1.0
224.11882	1.1
225.09128	3.0
225.12682	4.0
227.10556	1.2
227.14342	1.1
228.09319	0.8
229.10303	1.1
229.12184	0.8
231.08101	0.8
231.11885	1.1
232.12379	1.7
233.09610	2.8
233.13275	2.3
234.10237	1.6
235.11186	12.5
236.11987	4.2
237.09125	3.3
237.12762	8.0
238.09897	1.2
239.10719	3.8
239.14354	1.3
242.10918	1.0
243.10002	3.5
245.09619	6.5
245.13394	1.3
246.10429	3.1
247.11171	2.4
247.14841	2.6
248.08347	1.0
248.11861	1.0
249.09077	1.8
249.12814	5.0
250.09895	0.8
250.13344	1.2
251.10721	6.0
251.14278	6.5
252.11241	1.1
253.12242	7.8
255.13734	1.4
257.11588	1.3
259.11359	1.5
260.12051	1.4
261.12823	4.1
262.09821	0.9
263.10699	9.6
263.13718	1.1
263.14383	1.0
264.11401	2.6
265.12347	3.4
265.15955	3.6
267.10211	2.2
267.13831	5.1
269.11960	1.0
269.15436	1.9
273.12714	1.0
275.14316	6.8
276.14734	1.4
277.12305	3.8
277.15341	0.8
279.10541	1.4
279.13818	5.3
280.14377	0.9
281.11844	7.1
281.14978	1.0
282.12390	1.5
283.13339	2.4
283.17007	0.7
285.12842	1.9
289.12183	1.3
291.13748	1.7
293.15356	8.0
294.15845	0.9
295.09952	1.5
295.13239	9.1
296.13980	1.0
297.14914	1.6
297.18173	0.8
299.12747	11.8
300.13190	0.8
303.13809	4.3
303.80618	0.8
309.11176	1.8
309.14755	0.8
311.16544	1.8
313.10754	2.3
313.15906	0.7
321.14789	6.6
322.15381	1.0
335.16476	1.4
339.16022	3.6
347.16507	1.8
349.18039	1.5
355.16782	1.0
359.16281	1.7
363.19635	1.5
373.18015	4.3
375.15933	1.1
377.17529	3.0
391.19080	12.4
392.19556	1.5
393.16809	3.5
395.18408	1.2
401.17386	6.6
409.20090	11.5
410.20361	1.0
419.18454	19.1
420.18832	3.0
437.19565	100.0
438.19894	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.01870	0.7
55.05506	0.9
56.97896	0.5
62.21198	0.4
65.03935	1.3
67.05513	3.8
69.03431	12.5
69.07085	0.5
70.93961	1.0
71.05032	0.5
75.35136	0.4
79.05499	16.7
81.03426	1.1
81.07061	83.7
82.07401	1.9
83.04990	0.6
86.09703	4.5
91.05484	12.0
91.27161	0.4
92.05814	0.5
93.07047	2.5
95.04980	5.5
95.08604	2.2
97.02908	0.6
97.06544	0.5
103.05428	1.2
105.07028	8.1
107.04963	1.3
107.08602	4.1
109.06521	25.7
109.10163	0.5
110.06841	0.6
111.04472	1.1
115.05463	3.8
116.06235	2.3
117.07018	5.6
119.04935	1.7
119.08575	4.3
121.06499	2.6
121.10171	0.7
123.04440	1.6
123.08077	1.0
128.06261	3.0
129.07007	5.2
130.07767	1.3
131.04915	0.9
131.08568	5.3
132.05730	0.9
133.03893	0.5
133.06496	6.3
133.10126	2.0
135.08046	4.8
135.11766	0.6
137.05981	100.0
138.06300	3.8
141.07013	3.1
142.07777	1.5
143.08597	4.2
144.05716	0.7
144.09349	0.6
145.06474	7.1
145.10143	2.1
146.07314	2.4
147.08057	4.3
149.05977	1.1
149.09581	1.3
151.07573	2.2
153.07005	1.5
154.07796	1.3
155.08546	4.7
156.09242	0.6
157.06480	1.2
157.10138	2.8
158.07265	2.1
159.08060	24.5
159.11710	1.3
160.08853	2.4
161.05972	1.7
161.09633	2.6
163.07571	2.7
165.05597	0.7
165.07019	1.7
166.07758	1.1
167.08580	2.2
168.09354	1.8
169.06534	1.1
169.10126	3.5
170.07199	0.7
171.08017	3.5
171.11687	1.5
172.08798	0.9
173.05919	0.8
173.09642	4.3
174.06746	0.5
175.07597	4.2
175.11174	6.9
177.09081	0.9
178.07803	0.7
179.07077	0.8
179.08553	1.9
180.09326	0.8
181.06551	1.2
181.10124	2.3
182.07306	1.1
182.10873	0.6
183.08066	2.5
183.11690	3.7
184.08847	1.3
184.12045	0.5
185.09630	3.5
185.13231	0.8
186.06754	0.6
187.07529	1.6
187.11168	1.8
189.09074	1.3
189.12766	1.0
191.06999	0.7
191.10625	0.8
192.09354	1.1
193.10115	2.6
194.10796	0.8
195.08069	1.6
195.11719	1.5
196.08849	1.4
197.01251	1.2
197.09598	4.5
197.13254	1.2
198.10316	1.2
199.07547	1.2
199.11176	4.2
199.18053	1.2
200.11786	0.7
201.09108	1.3
203.07028	0.9
203.08855	0.6
203.10696	2.0
205.10184	0.8
205.12201	1.1
206.10855	0.7
207.08086	0.8
207.11673	1.9
209.09653	1.6
209.13217	1.2
210.10347	1.2
211.07695	1.1
211.11195	10.8
212.11740	1.3
213.09134	1.4
213.12698	2.1
215.02246	0.5
215.10654	1.3
215.77664	0.5
217.08504	0.5
217.12236	0.6
219.11734	0.7
219.13672	0.5
220.08716	0.8
221.09610	1.7
223.11162	1.6
225.09248	0.7
225.12772	3.3
226.09915	0.7
226.13538	1.7
227.10603	1.6
227.14340	0.9
229.12260	1.2
231.09953	2.5
235.11139	1.6
236.11865	0.7
237.12772	1.5
239.10652	3.9
241.12155	3.0
247.11050	0.9
249.09128	0.9
249.12921	0.6
251.10597	0.8
253.12297	4.0
254.13016	16.8
255.10387	0.8
255.13544	2.9
259.01230	0.7
263.10831	0.8
263.14301	1.3
264.11362	1.2
265.12100	0.7
267.10287	0.6
269.11642	1.0
271.13168	0.7
279.17288	0.5
281.11743	1.4
281.15375	1.4
282.12579	2.8
283.13297	0.9
291.13892	0.9
298.26608	0.5
299.12906	0.6
300.13522	1.8
307.17099	0.8
309.14920	0.9
319.07864	0.6
331.16693	1.2
345.18356	1.1
355.16797	0.7
363.19437	1.5
373.17947	3.1
391.18985	8.6
392.19397	1.1
401.17349	2.8
407.22113	1.6
415.03268	0.9
419.18262	5.4
420.18716	0.6
433.04437	1.8
437.20288	6.0
437.29431	0.9
438.19675	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01874	1.0
55.05513	0.8
58.88596	0.3
65.03942	1.0
67.05507	3.1
69.03429	12.0
69.07078	0.3
71.31414	0.4
79.05495	16.2
80.05833	0.3
81.03416	0.6
81.07058	86.0
82.07394	2.2
83.04993	0.4
84.41100	0.3
86.09724	1.4
88.60924	0.3
91.05482	12.3
92.05804	0.4
93.07037	3.6
95.04971	5.7
95.08630	1.9
97.02901	1.0
97.06519	0.7
103.05472	1.0
105.04535	0.5
105.07029	9.9
107.04956	1.0
107.08598	3.7
109.06521	29.0
109.10164	0.7
110.06849	0.9
111.04442	1.0
113.02372	0.4
115.05430	3.7
115.06167	0.5
116.06251	1.7
117.07037	5.0
119.04937	2.0
119.08601	4.3
121.06527	2.3
121.10131	1.4
123.04413	1.6
123.08067	1.1
128.06221	2.2
129.06995	5.0
130.07883	0.7
131.04918	0.5
131.08562	5.6
132.05711	1.0
133.06499	5.7
133.10123	1.5
135.04387	0.6
135.08046	4.7
137.05977	100.0
138.06303	3.1
139.03891	0.4
139.07549	0.5
141.06999	2.7
142.07799	2.4
143.04924	0.5
143.08571	4.0
144.05701	0.5
144.09377	0.3
145.06485	7.8
145.10156	2.6
146.07275	1.9
147.08038	4.6
147.11670	1.1
149.05984	1.4
149.09612	0.9
151.07532	1.6
152.06194	0.6
153.06969	2.5
154.07735	1.5
155.08548	5.2
156.09242	1.1
157.06500	1.1
157.10139	3.7
158.07262	2.0
159.08054	25.2
159.11629	1.6
160.08797	2.9
161.05965	1.8
161.09625	3.1
163.07549	3.8
165.05692	0.3
165.06992	1.8
166.07806	1.3
167.08569	1.8
168.05634	0.4
168.09329	1.9
169.06450	0.9
169.10114	4.2
170.07233	0.8
171.08047	3.0
171.11705	1.5
172.08844	0.6
173.05988	1.0
173.09613	4.1
173.13271	0.4
174.05098	0.3
175.07555	4.4
175.11189	6.2
177.05452	0.3
177.09103	1.2
178.07820	1.3
179.07025	0.7
179.08540	1.5
180.09422	0.5
181.06479	0.7
181.10103	2.4
182.07224	1.0
182.10837	0.5
183.08110	2.8
183.11681	3.5
184.08784	1.1
185.05988	0.7
185.09624	4.1
185.13289	0.5
186.06671	0.5
186.10249	0.3
187.07545	2.2
187.11259	1.4
188.08238	0.5
189.09134	1.5
189.12746	1.2
191.07021	0.9
191.08592	0.7
191.10677	0.7
192.09390	1.2
193.10144	3.7
194.10941	0.4
195.07990	1.0
195.11641	1.5
196.08784	0.9
197.09624	4.0
197.13252	0.7
198.06674	0.4
198.10359	1.3
199.07527	1.1
199.11160	4.4
199.18076	0.4
200.08380	0.5
200.11937	0.4
201.09090	0.9
201.12721	1.3
203.06960	0.7
203.08696	0.6
203.10680	1.8
205.10168	0.6
205.12239	1.1
206.10849	0.6
207.08017	0.3
207.11702	1.8
208.08905	0.4
209.09581	1.7
209.13243	1.0
210.10374	1.4
211.07607	1.0
211.11179	10.2
212.08296	0.6
212.11678	0.9
213.09088	1.6
213.12633	1.6
215.08794	0.4
215.10522	1.6
216.07697	0.5
217.08582	1.0
217.12128	0.4
219.08118	0.5
219.11682	0.9
220.08844	0.5
221.09543	2.7
221.13115	0.5
222.10312	0.5
223.11234	1.6
223.14835	0.7
225.09206	1.7
225.12721	3.4
226.09868	0.9
226.13405	1.7
227.10637	1.4
227.14240	1.3
228.11337	0.5
229.12251	1.1
231.10042	2.7
233.09546	0.9
233.13326	0.7
234.10373	0.6
235.11176	1.6
235.14886	0.5
236.11914	1.7
237.12810	1.5
238.09666	0.5
239.10670	4.2
239.14301	1.0
240.11363	0.4
241.12257	2.9
241.15831	0.5
243.13817	0.5
245.09483	0.4
246.10237	0.5
247.11150	0.9
249.09059	1.0
249.12802	1.0
251.10684	1.1
251.14272	0.8
252.11450	0.5
252.70605	0.4
253.12257	3.5
253.14984	0.3
253.15985	0.4
254.13017	18.1
255.10043	0.7
255.13599	2.3
261.12720	0.8
263.10687	0.7
263.14313	1.5
264.11407	1.0
265.12155	1.0
265.15912	0.5
267.10074	0.8
269.11679	1.0
277.12231	0.5
281.11697	1.3
281.15311	1.0
282.12607	2.5
283.13205	1.1
285.11282	0.5
287.14349	0.4
291.13721	0.9
292.14520	0.5
293.18954	0.3
298.13528	0.4
299.12891	0.6
300.13492	1.3
301.12238	0.4
303.17081	0.5
307.16858	0.7
309.14825	0.7
312.15048	0.5
313.15753	0.4
327.17236	0.4
331.16943	0.7
340.14401	0.4
341.15350	0.5
345.18451	1.2
349.18073	0.7
355.16843	0.7
363.19571	1.7
373.17993	3.2
374.18051	0.4
377.17252	0.4
383.16241	0.6
391.19019	10.4
392.19138	1.1
401.17453	2.2
407.21918	1.2
409.20068	0.6
419.18286	4.7
419.23108	0.4
420.18558	0.7
437.19553	3.8
437.23242	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.196
Annotation	Ligulacephalin A
Peak:m/z	Relative Intensity
51.02359	0.4
53.03933	2.0
55.01846	1.6
55.05516	2.9
57.03418	0.3
59.04959	0.5
60.64927	0.3
65.03910	1.2
67.05505	11.8
69.03431	4.0
69.07034	1.3
69.16349	1.4
69.16773	1.3
70.31255	0.4
70.49982	0.3
71.04962	0.8
77.03915	0.7
79.05490	7.4
81.03374	1.0
81.07055	18.4
82.07354	0.8
83.04939	1.6
83.08569	0.5
85.02844	0.4
87.33479	0.3
91.05478	10.1
93.07038	7.7
95.04967	4.3
95.08605	35.4
96.08892	1.1
97.02374	0.4
97.02881	4.9
97.06554	2.1
98.23332	0.8
99.04464	3.1
103.05495	1.7
105.03328	1.5
105.07029	11.7
106.07324	0.4
107.04964	2.0
107.08600	7.1
109.02766	0.5
109.06512	14.0
109.10081	1.3
111.04382	1.1
111.08093	2.7
115.03836	0.4
115.05414	2.1
117.07011	4.7
119.04890	1.1
119.08578	6.5
121.06501	4.8
121.10075	1.5
122.07205	0.6
123.04391	0.6
123.08066	22.6
123.11658	0.5
124.08358	0.6
125.05922	1.4
125.09557	1.6
127.03861	0.7
128.06221	3.8
129.07011	5.0
130.07776	0.9
131.04916	2.1
131.07715	0.4
131.08562	5.7
132.05620	0.5
133.02834	2.1
133.06494	7.7
133.10042	1.6
135.04375	0.5
135.08040	3.1
135.11699	0.4
137.05975	16.8
137.09543	1.0
138.06247	0.5
139.07477	1.3
141.06963	3.9
141.08978	0.6
142.07738	1.8
143.04924	1.9
143.08560	6.0
144.05585	1.1
145.06482	20.9
145.10100	3.9
146.06982	0.6
147.04346	0.9
147.08052	7.6
147.11662	0.7
149.05980	4.1
149.09579	1.8
151.07536	18.3
152.06158	0.6
152.07785	0.8
153.07051	1.9
154.07663	1.0
155.07350	0.4
155.08553	6.8
156.09166	1.1
157.06476	3.0
157.10135	3.3
158.07271	7.1
159.04323	0.9
159.08060	13.1
159.11635	1.2
160.08731	0.8
161.05951	4.4
161.09616	3.0
162.06697	0.9
163.07567	2.1
165.07013	3.1
165.09084	2.8
166.07785	1.8
167.07140	0.5
167.08452	3.4
167.10593	1.2
168.09195	1.4
169.06451	3.3
169.10133	3.2
170.07123	1.1
170.10681	0.4
171.08058	8.9
171.11583	1.2
172.08658	1.0
173.06010	3.8
173.09602	7.3
174.06656	0.5
174.10181	0.8
175.07544	3.8
175.11072	1.1
177.09128	2.3
178.07742	2.4
179.08546	5.4
180.09167	1.5
181.06380	1.6
181.10120	3.9
182.07286	1.7
182.10802	0.7
183.06712	0.4
183.08054	5.4
183.11624	2.7
184.08838	2.3
185.05983	2.2
185.09615	4.4
185.13202	0.5
186.06636	0.7
186.10297	0.6
187.06058	0.5
187.07541	7.0
187.11044	1.4
188.07976	1.0
189.05376	0.5
189.09109	2.0
190.07758	0.4
191.06921	0.7
191.08476	1.6
191.10574	1.4
192.09354	4.0
193.08530	0.9
193.10135	6.1
194.07130	0.6
194.10703	1.4
195.08047	3.8
195.11679	3.2
196.08838	2.0
197.05881	0.9
197.09604	5.9
197.13133	1.3
198.06731	0.5
198.10136	0.6
199.07393	1.6
199.11111	1.8
200.08214	0.7
201.09096	4.4
201.12692	0.8
202.07764	2.0
203.06816	0.5
203.08432	1.8
203.10292	0.8
204.09164	1.3
205.06380	0.5
205.08325	0.4
205.10104	2.2
206.10759	1.2
207.08159	1.9
207.09581	0.4
207.11674	5.3
208.08696	1.2
208.12227	1.0
209.09634	4.9
209.13208	2.4
210.06720	0.5
210.10356	1.9
211.07527	1.7
211.11177	5.2
211.14575	0.5
212.08199	0.7
212.11569	0.5
213.08978	1.8
213.12579	1.1
215.06882	1.8
215.08647	0.8
215.10507	1.2
216.09108	1.1
217.10158	4.5
217.12083	0.7
218.10910	1.7
219.07870	1.5
219.11699	2.6
220.08786	3.6
220.12244	0.9
221.09630	5.5
221.13075	1.3
222.10355	2.3
222.13779	0.5
223.07411	1.0
223.11218	4.0
223.14674	1.3
224.11703	1.0
225.09189	3.1
225.12698	4.7
226.09529	0.7
226.13106	0.6
227.10661	1.7
227.14058	0.9
229.08279	0.4
229.12114	0.8
230.10896	0.5
231.07904	0.7
231.11531	1.0
232.08755	0.8
232.12167	1.4
233.09602	1.9
233.13210	1.9
234.10182	0.9
235.07542	0.5
235.11183	12.8
235.14743	2.9
236.11908	3.2
236.15421	0.6
237.09163	2.3
237.12743	5.5
237.16295	1.1
238.09613	1.1
238.13072	0.7
239.06813	0.6
239.10667	3.4
239.14145	1.1
241.12204	0.8
241.15736	0.6
243.09978	3.6
245.09650	3.4
245.13124	1.4
246.10460	1.9
246.13853	0.5
247.11308	2.1
247.14798	1.9
248.08093	1.2
248.11794	1.1
249.08945	1.1
249.12784	4.9
250.09770	0.6
250.13211	1.5
251.10675	5.2
251.14235	4.9
252.07816	0.4
252.11139	1.0
252.14519	0.5
253.08519	0.6
253.12212	8.9
253.15613	0.9
254.12613	1.2
255.10008	1.1
255.13675	1.1
257.11304	0.9
259.09259	1.7
260.11703	1.5
261.12546	2.2
262.13190	0.7
263.10651	7.0
263.14255	3.0
264.11404	2.2
264.14746	1.3
265.12283	2.5
265.15817	3.8
265.18469	0.6
265.19397	0.4
266.16043	0.6
267.10049	1.0
267.13596	5.6
268.14453	0.6
269.11713	1.0
269.15155	0.9
271.13199	0.9
273.12750	0.6
274.13391	0.4
275.14099	3.8
275.17352	0.7
276.14914	0.8
277.12018	1.8
277.15359	0.5
278.12704	0.6
279.13571	3.5
279.17029	0.7
281.11520	6.6
281.15033	1.9
282.12180	1.0
283.10013	0.4
283.13141	1.9
283.16653	1.4
285.11203	1.5
286.13168	0.6
288.11221	0.6
289.15445	0.5
291.13605	0.9
291.16913	0.5
293.12344	0.4
293.15109	5.6
293.18747	1.2
294.15546	0.8
295.09906	0.7
295.13254	9.3
296.13531	0.6
297.11215	0.7
297.14694	1.1
299.12769	20.6
300.13101	2.1
303.13907	2.6
303.17004	0.7
304.14117	0.4
307.13092	0.6
309.14624	1.3
311.16153	2.3
311.19702	0.9
313.10388	1.2
313.15451	1.0
317.14551	0.4
321.14569	5.1
321.18314	2.0
322.15076	0.7
327.15845	0.5
331.11926	0.5
331.16782	0.6
333.14822	0.4
335.16168	0.9
339.15997	5.5
339.19507	0.7
345.18118	0.7
347.16147	1.0
349.14069	0.9
349.17725	0.9
350.14807	0.4
351.15543	0.9
353.13687	0.7
355.16510	0.9
359.16241	0.9
363.19443	1.8
365.17261	0.7
373.18005	3.1
375.15552	0.9
377.17407	1.9
380.54874	0.4
383.15967	0.8
391.18973	10.3
392.19016	1.3
393.16779	3.2
394.17215	0.6
395.18179	1.5
401.17422	4.5
402.17334	0.5
407.18301	0.5
409.20010	10.8
410.20016	1.0
419.18298	13.7
419.23349	0.8
420.18408	1.4
437.19183	100.0
438.19525	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1959
Annotation	Ligulacephalin A
Peak:m/z	Relative Intensity
51.02376	0.5
53.03925	1.3
54.15007	0.4
55.01851	1.3
55.05516	2.6
55.77909	0.4
58.79184	0.4
65.03927	1.0
67.05500	9.1
69.03429	4.0
69.07046	0.9
70.42530	0.3
71.04982	0.8
71.31618	0.6
77.03912	0.6
79.05073	0.5
79.05492	7.5
81.03384	1.2
81.07052	20.0
82.07384	0.8
83.04951	1.3
91.04958	0.6
91.05473	7.6
93.03368	0.5
93.07039	5.5
95.04961	3.3
95.08604	29.3
96.08935	0.5
97.02894	4.2
97.06526	2.0
99.04453	2.8
103.05459	0.9
105.03365	1.6
105.04491	0.6
105.06378	0.6
105.07024	7.8
106.07276	0.4
107.04905	1.4
107.08592	3.8
109.02837	0.6
109.06516	11.4
109.10114	0.4
111.04411	1.5
111.08030	1.5
115.05443	1.9
117.07022	4.0
119.04900	1.2
119.08575	4.6
121.06520	3.5
121.10128	0.8
123.04440	0.5
123.08063	12.0
125.05978	1.0
127.03923	0.5
128.06204	3.3
129.06998	6.7
130.07755	1.2
131.04945	2.1
131.08557	4.3
133.02834	3.8
133.06505	4.6
133.10091	1.3
133.72108	0.5
135.04396	0.7
135.08002	1.9
137.05966	21.1
139.07500	0.7
141.06967	4.7
141.09102	0.4
142.07703	1.7
143.04878	1.6
143.08542	5.0
144.05664	1.2
145.06471	8.9
145.10136	4.2
146.07161	0.8
147.04372	0.9
147.08047	6.0
149.05984	2.1
149.09622	0.9
150.00006	0.4
151.07524	5.7
152.06209	0.5
153.07013	3.4
154.07774	2.1
155.08549	21.9
156.09055	1.3
157.06488	2.2
157.10156	2.9
158.07236	2.8
159.04372	0.7
159.08060	7.1
159.11650	0.7
160.08713	0.8
161.05933	1.5
161.09561	2.0
163.07507	1.7
165.06989	4.9
165.09111	1.0
166.07799	2.1
167.08562	3.9
168.09259	1.4
169.06497	2.4
169.10161	3.9
171.08058	5.8
171.11649	0.9
172.08760	0.7
173.06039	2.6
173.09615	28.7
174.06721	0.8
174.09982	2.0
175.07591	3.6
175.11125	0.6
177.09015	1.4
178.07744	3.5
179.08530	4.7
180.09300	2.2
181.06525	1.9
181.10101	4.6
182.07190	1.2
182.10858	0.8
183.08081	3.6
183.11626	1.8
184.08737	1.6
185.05946	1.8
185.09584	3.8
186.06743	0.7
187.07526	6.7
187.11090	1.3
188.08142	1.3
189.07028	0.7
189.09026	2.2
190.07747	1.7
191.07014	0.5
191.08546	3.5
191.10367	0.6
192.09360	3.3
193.06433	0.5
193.08575	0.9
193.10121	7.2
194.07248	1.0
194.10750	1.1
195.08041	3.2
195.11673	3.6
195.42612	0.4
196.08688	1.3
197.05859	0.5
197.09587	4.1
197.13173	1.4
198.06766	0.8
198.10373	1.0
199.07480	1.6
199.11208	2.6
201.09058	2.9
202.07751	3.0
202.09549	0.6
203.08577	2.8
203.10394	0.7
204.09344	2.1
205.06477	0.8
205.08495	0.4
205.10123	5.4
206.07210	0.8
206.10760	0.9
207.08014	1.6
207.11691	4.5
208.08762	1.6
208.12314	0.9
209.09647	4.5
209.13203	1.5
210.06825	0.5
210.10271	1.5
211.07500	1.7
211.11194	5.1
211.14563	0.5
212.11546	0.5
213.09074	2.3
213.12531	0.7
215.08525	1.2
215.10422	1.0
216.09227	1.7
217.10168	7.3
218.10849	2.5
219.07936	1.5
219.11711	3.3
220.08797	2.8
220.12224	0.8
221.09589	6.1
221.13126	1.3
222.10252	1.4
223.07550	0.9
223.11143	4.8
223.14734	1.1
224.08302	0.7
224.11746	1.3
225.09100	2.2
225.12698	3.1
227.10559	1.3
228.09285	1.3
229.10060	2.2
229.12167	0.8
230.10713	1.2
231.08041	0.7
231.11586	1.4
232.08759	0.5
232.12375	1.3
233.09737	2.2
233.13274	2.4
234.10301	1.4
235.07442	0.8
235.11153	10.3
235.13553	0.6
235.14586	0.8
236.11877	3.0
237.09012	1.7
237.12683	4.0
237.16335	0.8
238.09805	1.0
238.13167	0.5
239.10663	5.7
239.14204	1.3
240.11084	0.5
241.10130	0.6
241.12112	0.9
242.10742	1.2
243.07866	0.5
243.09904	1.1
243.11792	1.2
244.12326	0.7
245.09596	6.0
245.13271	0.9
246.10358	2.8
247.11368	2.1
247.14963	2.3
248.08235	0.7
248.11848	0.6
249.09074	1.2
249.12677	2.4
250.09695	0.5
250.13536	0.9
251.10609	2.9
251.14368	3.2
252.14716	0.9
253.12202	5.9
254.12894	1.1
255.13750	1.2
257.13162	1.9
258.13846	0.5
259.11258	0.9
260.11749	0.7
261.08990	0.5
261.12625	3.1
262.13242	1.1
263.10666	9.0
263.14127	1.2
264.11349	3.7
265.12506	2.4
265.15778	3.0
266.12946	0.6
267.10037	0.4
267.13855	2.2
269.15479	1.0
271.10861	0.6
273.12619	1.4
274.13257	0.5
275.14328	4.2
276.14807	0.5
277.12088	1.3
278.13000	0.6
279.10861	0.5
279.13864	4.0
281.11703	5.8
281.14896	0.7
282.12314	1.3
283.13184	1.4
283.16467	0.7
285.12610	1.5
286.13257	0.7
289.12164	0.6
291.13718	1.2
292.14386	0.5
293.15372	5.9
293.18478	0.4
294.15845	1.2
295.13266	2.0
299.12744	5.3
300.13123	0.6
303.13809	4.9
304.14233	1.1
309.14929	0.8
311.16254	1.5
313.10596	0.6
321.14810	5.5
322.15485	0.9
327.17261	1.0
331.11676	0.5
331.16672	0.5
335.16040	0.6
339.15979	5.4
340.16370	0.5
341.15228	0.7
345.18378	0.7
349.13977	0.6
349.17838	0.9
351.15921	0.9
355.16678	1.2
359.16321	0.8
363.19473	2.4
373.17953	2.9
377.17319	1.7
383.16260	1.4
391.18994	9.9
392.19394	0.7
393.16739	1.7
395.18250	1.1
401.17365	7.5
402.17426	0.6
405.05801	0.6
407.18320	1.7
409.20132	5.7
419.18481	21.9
420.18710	2.3
437.19617	100.0
438.19864	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61489	0.3
59.93143	0.3
67.05496	0.5
68.03710	0.3
69.03436	1.3
69.19894	1.3
69.20313	0.8
79.05489	0.4
81.07050	1.3
82.14134	0.3
85.02934	0.3
91.05486	0.9
93.07052	0.7
95.04947	0.3
95.08572	0.7
97.02891	0.3
105.07010	0.7
109.06501	0.6
109.10159	0.4
111.04415	0.3
111.08108	0.4
119.08546	0.4
121.06479	0.4
123.04401	0.5
129.07030	0.4
131.08531	0.4
137.05968	0.8
139.07552	1.1
142.07777	0.3
143.08562	0.7
145.10077	0.3
147.04381	0.4
147.08064	0.4
155.08575	0.7
157.10097	0.6
165.06975	0.5
167.07063	0.5
167.08499	0.4
167.60016	0.3
169.06476	0.3
173.09669	0.4
179.08490	0.4
180.09393	0.3
185.09567	0.7
187.11206	0.5
197.13315	0.4
209.13293	0.6
211.11276	0.4
213.12801	0.6
228.15062	0.6
275.12973	0.4
275.16086	2.8
327.13986	0.5
419.22495	0.3
437.21478	100.0
438.21814	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.01849	0.6
55.05514	3.6
57.03415	0.9
65.03914	0.5
67.05502	5.2
69.03401	2.0
69.07047	2.0
71.30579	0.6
79.05492	4.1
81.03408	2.9
81.07053	11.1
82.07377	0.6
83.04951	1.3
83.08601	2.0
85.06534	1.1
91.05489	3.6
91.17721	0.4
93.07034	4.0
95.04964	3.1
95.08598	4.5
97.06513	1.1
97.10146	2.0
97.30162	0.4
105.07018	4.9
105.40561	0.5
107.04908	0.8
107.08582	3.1
109.06524	5.1
109.10158	3.5
111.04415	0.9
111.08086	1.1
115.05466	0.5
117.06983	2.0
119.08591	3.4
121.06474	1.3
121.10117	1.8
123.04353	0.8
123.08060	1.6
123.11697	1.0
125.05984	1.1
125.09606	1.8
126.81456	0.5
128.06198	0.7
129.06989	1.9
131.08539	1.8
133.06494	1.0
133.10132	2.3
135.08055	1.0
135.11674	1.1
137.05965	7.6
137.09563	0.7
139.07475	0.7
141.06973	0.9
142.07755	1.7
143.08543	1.1
145.06458	1.5
145.10126	1.9
147.08025	1.8
147.11652	1.6
149.05959	0.8
149.09560	1.1
149.13254	0.8
151.07527	1.6
153.05504	0.5
153.09077	0.9
155.08565	1.4
157.06511	0.6
157.10121	2.3
159.08061	2.7
159.11678	1.8
160.08859	1.2
161.09613	2.7
161.13245	0.6
163.11162	1.3
165.06982	0.9
165.09106	0.9
166.07735	0.5
167.07108	0.6
167.08542	1.2
169.10118	1.6
171.08003	1.0
171.11707	1.0
173.09601	1.4
175.11119	1.8
175.14650	0.5
177.09015	0.5
178.07742	0.6
179.08574	1.1
181.10042	0.8
183.08090	0.7
183.11685	1.1
185.04196	6.0
185.09618	1.2
187.11160	1.1
189.09044	1.4
189.11195	1.5
191.06850	0.6
193.10114	0.7
193.12245	1.6
195.11752	0.6
197.13135	0.9
199.11206	1.1
199.14890	0.5
201.03705	1.0
201.09081	1.3
201.12778	0.6
203.05290	1.9
203.10614	1.0
207.10081	0.7
207.11856	0.8
209.13257	1.3
211.11118	1.4
213.12810	0.9
213.16171	0.5
215.10614	0.9
223.14903	0.8
225.12729	1.1
227.10738	0.6
227.12701	1.0
229.12233	0.7
235.11040	0.8
235.14748	0.8
239.10747	0.9
239.14207	0.6
253.12148	1.2
255.13774	1.3
257.15128	2.7
275.16165	99.4
276.16559	7.5
279.21121	0.6
297.22092	1.4
335.22147	0.5
346.90915	0.5
391.19202	1.2
401.17194	1.1
419.18463	1.9
437.21439	100.0
438.21783	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
67.05511	0.5
67.34639	0.3
69.03442	0.4
69.52791	1.7
71.08227	0.3
79.05501	1.4
81.07039	0.5
85.32964	0.3
91.05485	2.8
93.07100	0.5
95.04967	0.7
95.08646	0.4
97.02853	0.4
97.06539	0.3
98.22672	0.4
98.73199	0.4
101.48244	0.3
103.05478	1.4
105.03412	0.5
105.07018	5.3
105.83046	0.3
106.07378	0.4
107.04962	1.3
108.05699	0.5
109.06542	0.9
115.05425	0.6
118.04169	1.3
119.04951	1.5
120.05748	0.4
121.06503	0.5
123.04422	1.8
123.08035	0.8
131.04958	0.4
131.08568	0.5
133.06500	4.0
134.07144	0.4
135.04404	0.6
135.08044	0.9
137.06000	2.2
147.04416	1.4
148.05205	0.5
149.06018	0.7
150.06778	2.3
151.07570	1.5
153.05481	0.5
155.05008	0.4
155.07036	0.5
161.02417	0.4
161.06004	0.6
163.07587	0.9
165.05507	1.1
165.09143	2.9
167.07072	2.3
168.07706	0.3
171.07979	0.3
173.06047	0.4
177.05432	0.6
179.07062	3.2
180.07872	0.5
181.05063	1.9
181.08611	0.7
183.04416	0.6
193.08604	9.9
194.08850	0.4
197.08121	1.3
201.05515	0.8
203.05321	0.8
205.08661	0.6
208.07401	0.7
211.09657	17.6
212.09996	0.7
225.07690	0.5
226.08316	0.4
229.04994	1.0
257.15216	1.2
275.16299	1.7
275.39999	0.3
285.03918	2.3
327.13971	0.4
419.20142	0.4
437.21484	100.0
438.21854	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2144
Annotation	Leopersin N
Peak:m/z	Relative Intensity
51.59512	0.1
55.41938	0.1
65.35445	0.1
69.38731	0.7
76.59010	0.1
83.24030	0.1
85.02874	0.1
90.57771	0.1
95.04973	0.1
107.04275	0.2
107.04959	2.7
119.34497	0.1
123.04443	0.2
134.09679	0.8
149.06064	0.1
151.03833	0.1
162.09138	0.3
164.96779	0.1
176.10699	0.1
181.05000	0.1
193.05013	0.2
199.81967	0.1
204.10202	1.2
225.23593	0.1
229.04927	0.2
257.04407	0.9
275.16119	1.1
285.04010	0.6
317.10425	0.2
341.10168	0.2
353.10190	0.2
420.11780	0.3
437.21445	100.0
438.21786	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.232
Annotation	Lespedezaflavanone G
Peak:m/z	Relative Intensity
53.03944	7.1
55.01865	6.0
55.05515	21.8
58.42695	3.0
65.03940	4.0
65.88455	2.7
67.05503	32.7
69.03432	15.6
69.07056	4.3
71.04990	5.4
71.31059	3.6
79.05500	18.4
81.03418	7.3
81.07063	17.2
81.07461	2.4
83.04984	56.9
87.27734	2.4
91.05485	45.6
93.07045	50.5
93.45079	2.5
95.04968	55.6
95.08603	60.4
97.02888	18.6
97.06513	7.0
99.04462	5.0
101.88965	2.5
103.05467	5.3
105.04502	2.6
105.07024	41.2
107.04947	7.7
107.08598	19.6
109.06522	6.3
109.10154	10.2
111.04444	35.7
111.08083	27.4
113.05977	2.7
115.05468	6.7
117.07002	13.9
119.05011	5.4
119.08577	86.4
121.06503	25.7
121.10139	8.9
123.08088	11.2
128.06230	17.4
129.07007	27.2
130.07764	3.7
131.04950	5.8
131.08583	29.5
131.18358	2.6
133.06511	18.0
133.10118	38.7
133.72595	2.4
135.08075	9.3
135.11702	4.3
137.05972	3.2
139.07558	23.5
141.07011	12.0
142.07803	17.7
143.08578	31.2
144.09264	3.5
145.06526	11.9
145.10146	26.4
146.10468	2.7
146.44810	2.6
147.08037	22.3
147.11685	19.5
149.09636	5.1
152.06216	4.0
153.07019	8.7
154.07811	4.1
155.08556	21.7
156.09370	12.9
157.06519	26.5
157.10146	32.1
158.07071	2.5
158.10834	4.7
159.06985	3.0
159.08043	18.0
159.11682	16.8
161.09627	11.5
161.13280	2.6
163.07585	3.7
163.11177	5.1
165.07053	14.7
166.07785	8.2
167.08630	18.2
168.09366	6.2
169.10139	28.0
170.10895	12.0
171.08049	9.3
171.11679	31.3
173.06111	4.1
173.09613	17.3
173.13303	5.2
175.07567	30.3
175.11136	5.2
177.09105	2.9
178.07748	5.0
179.08513	21.0
180.09334	8.7
181.10124	26.5
182.07227	4.3
182.10912	11.5
183.08208	5.8
183.11722	27.6
184.08948	2.7
184.12437	5.7
185.09619	13.4
185.13260	12.7
187.11122	12.7
191.08559	6.1
192.09348	9.1
193.08630	5.5
193.10167	20.8
194.07289	3.0
194.10875	10.9
195.08058	12.8
195.11690	24.7
196.08769	5.8
196.12468	9.0
197.09612	11.7
197.11710	3.4
197.13249	20.2
198.13980	7.2
199.11115	12.7
199.14796	14.8
201.09178	3.3
201.12782	3.2
202.07690	5.7
203.08591	8.8
203.10596	2.7
204.09323	7.3
205.10187	13.2
205.12025	3.7
206.10909	14.9
207.08124	5.3
207.11702	29.4
208.08769	3.2
208.12398	13.4
209.09639	23.7
209.13277	25.3
210.10402	7.7
211.11229	18.0
211.14783	16.5
213.09096	5.8
213.12761	8.7
215.08607	5.0
215.10594	4.6
216.09290	5.8
217.10184	10.7
218.10870	13.4
219.11665	20.0
220.12425	11.8
221.09598	4.8
221.13271	21.2
222.10516	3.4
222.13945	7.0
223.11131	12.9
223.14745	13.5
224.11909	7.4
225.09099	12.3
225.12738	13.5
225.16335	4.0
226.13321	3.3
227.10744	5.9
227.14288	17.5
229.10242	5.9
230.10789	6.4
231.08055	4.1
231.11768	14.2
232.08812	5.7
232.12450	11.9
233.09631	6.0
233.13263	20.3
234.14044	9.1
235.11240	13.9
235.14857	18.8
236.11902	6.9
237.12662	17.2
237.16299	4.7
239.10699	3.8
239.14276	22.2
241.12199	4.1
243.11705	7.7
244.12433	8.2
245.09674	9.4
245.13382	12.9
245.15251	13.3
246.10461	9.0
247.11252	14.2
247.14801	8.9
248.11961	6.8
248.15475	3.0
249.12694	12.9
249.16478	12.4
251.14336	15.2
252.15099	3.0
253.12299	3.3
253.15855	7.6
255.13911	6.1
257.13129	5.1
257.15549	3.0
258.10388	4.5
258.13959	3.0
259.11243	11.6
259.14761	14.6
260.11923	7.8
260.15549	5.2
261.12720	21.1
261.16379	8.0
262.13480	7.7
263.11349	3.8
263.14307	21.8
263.17914	3.6
264.15073	3.9
265.12350	4.4
265.15878	8.6
267.13864	4.3
269.15396	9.0
271.14676	4.7
272.12070	7.1
273.12732	10.7
274.13593	5.3
274.17010	5.7
275.14331	11.6
275.17944	7.5
276.15088	3.0
277.12769	3.2
277.15775	17.0
278.16339	2.9
279.13901	17.1
279.17322	6.7
280.14322	3.2
281.15433	7.5
283.17279	3.9
284.15607	4.8
285.12732	3.0
287.14297	25.3
288.14810	3.0
289.15939	13.7
291.14087	4.4
291.17484	8.4
292.18137	4.7
293.18875	3.9
295.16962	9.9
297.15060	4.6
299.16873	3.5
301.15860	10.2
302.16650	9.9
303.17404	10.0
305.15378	17.3
307.17023	14.7
309.18661	6.1
310.13461	3.2
311.13992	2.7
311.20120	5.5
319.16986	7.7
320.17651	9.9
321.18457	16.3
322.18979	3.0
323.16241	5.4
331.20844	3.2
337.18143	8.6
339.19467	11.0
345.22031	3.9
347.20245	4.2
349.21735	3.0
355.20770	8.4
357.18356	6.7
359.19785	3.9
363.23294	3.7
365.18976	4.8
373.21765	21.2
375.19427	7.6
375.23599	3.4
383.20187	21.5
391.22797	27.3
393.20511	3.1
401.21091	99.6
402.21323	12.5
419.22177	100.0
419.26950	4.7
420.22620	6.8
437.23193	51.5
437.28433	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.1
53.57067	2.5
55.01857	5.9
55.05511	15.8
55.71991	3.0
64.30718	2.9
67.05512	24.6
69.03416	11.9
69.07073	4.0
79.05498	14.4
81.07044	12.7
83.04969	42.8
84.63819	2.7
91.05476	45.8
93.07037	52.8
95.04969	59.7
95.08604	52.1
96.01322	3.2
96.37692	3.1
97.02885	20.9
97.06503	6.7
105.07021	41.9
107.04946	7.1
107.08611	20.5
109.06521	8.3
111.04442	30.6
111.08071	23.7
115.05474	7.9
117.07007	13.2
118.07792	4.7
119.08576	100.0
120.08900	4.1
121.06509	25.5
123.08062	11.5
128.06223	12.1
129.07007	26.6
131.04892	4.0
131.08569	25.0
133.06499	21.9
133.10135	46.2
135.08069	6.9
137.05972	7.2
139.07547	29.0
141.06958	9.9
142.07748	10.9
143.08546	20.6
145.06458	11.6
145.10129	19.4
147.08067	22.6
147.11734	21.2
149.09586	4.6
153.07019	6.4
154.07808	5.0
155.08546	17.7
156.09343	12.8
157.06490	24.7
157.10109	31.3
158.07303	4.7
158.10742	3.3
159.08037	8.9
159.11664	12.7
161.09576	7.0
165.07010	13.4
166.07755	8.5
167.08553	16.2
168.09314	7.0
169.10136	26.3
170.10901	9.4
171.08020	7.8
171.11702	26.1
172.12198	3.1
173.09642	12.8
173.13316	5.8
175.06120	5.1
175.07529	39.6
175.11209	9.8
178.07866	6.9
179.08566	13.9
180.09212	7.3
181.10121	25.0
182.10870	8.5
183.08020	5.0
183.11681	21.4
184.12360	3.3
185.09601	9.9
185.13306	10.2
187.11162	13.7
191.08607	4.2
192.09346	8.7
193.08586	6.4
193.10143	22.1
194.10851	12.4
195.08029	4.4
195.11639	19.1
196.08873	3.3
196.12427	8.1
197.09557	8.8
197.13248	24.9
198.13937	5.1
199.11172	11.4
199.14819	11.9
200.95451	3.3
201.09082	3.5
201.12726	3.7
202.07809	3.0
203.08627	6.8
205.10097	6.8
206.10934	11.5
207.08157	3.3
207.11694	27.7
208.12433	10.3
209.09631	11.8
209.13321	19.1
210.10458	4.7
210.13737	3.0
211.11212	8.3
211.14821	13.2
213.12737	9.0
213.16316	3.3
216.09309	4.0
217.10098	7.7
218.10916	8.2
219.11685	14.2
220.12450	8.7
221.09732	6.2
221.13232	27.1
222.10300	4.2
223.11192	10.5
223.14783	10.9
224.11926	8.6
224.15228	4.3
225.09064	5.8
225.12724	12.0
227.10704	5.6
227.14268	11.5
229.10115	6.5
229.15923	3.6
229.58795	4.5
230.10970	3.4
231.11719	8.4
232.12422	8.6
233.09627	4.6
233.13283	12.9
234.10309	3.5
234.14005	10.7
235.11147	11.8
235.14755	19.6
236.11877	7.7
236.15381	4.6
237.12761	10.2
237.16454	7.1
239.10696	6.3
239.14307	26.2
240.14684	4.0
243.11655	9.0
244.12462	6.8
245.09724	6.9
245.13152	11.2
245.15422	10.6
246.10414	7.7
246.14021	6.1
247.11125	13.8
247.14870	12.2
248.11861	8.3
249.12665	8.4
249.16338	8.6
250.17039	3.5
251.14333	11.2
255.14015	3.9
257.13242	4.7
259.11157	6.0
259.14795	12.6
260.11978	10.3
260.15561	5.4
261.12753	21.5
261.16312	12.9
262.13440	9.0
262.17096	3.6
263.14392	18.9
263.16977	3.8
264.14935	4.5
265.15894	7.8
267.13849	4.9
271.14655	3.9
272.12009	6.4
273.12683	6.1
273.16418	5.7
274.13434	6.7
274.17157	7.2
275.14191	12.2
275.17709	6.8
276.15176	4.1
276.97079	3.4
277.15787	19.9
279.13895	6.4
279.17343	10.0
281.15564	4.2
287.14301	11.9
289.15851	13.1
291.17380	6.8
292.18430	3.6
293.15515	6.0
293.18817	7.4
295.16843	13.7
297.13013	4.6
301.15768	5.7
302.16611	9.9
303.17368	10.9
304.18002	4.0
305.15427	7.5
307.16876	13.9
309.18600	4.9
311.20181	3.3
313.15967	3.5
319.16922	5.0
320.17755	6.7
321.18539	19.9
323.16483	8.2
323.20007	3.3
337.18039	7.6
339.19470	13.8
355.20490	8.1
370.80896	3.1
373.21677	14.8
375.19540	8.3
383.19983	14.3
391.22711	24.3
401.16205	5.5
401.21121	75.8
402.21420	5.6
419.17279	4.0
419.22171	58.9
420.22504	6.9
437.23947	15.3
447.46033	3.3
449.56949	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2324
Annotation	11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-ene-3,20-dione 16,17-acetonide
Peak:m/z	Relative Intensity
50.17048	0.3
51.02372	0.4
53.03948	1.1
55.01856	0.8
55.05512	2.5
57.03426	0.8
57.07067	1.5
63.76978	0.3
65.03938	0.7
67.05500	4.2
69.02719	2.0
69.03429	10.4
69.07066	2.5
71.04990	1.2
74.45083	0.3
79.05061	0.6
79.05492	6.4
81.03408	0.7
81.07056	21.8
82.07413	0.4
83.01345	0.7
83.04989	2.1
83.08609	0.5
85.06540	2.0
85.25362	0.3
91.05482	8.2
93.07047	4.6
95.04984	2.7
95.08604	3.3
97.02901	2.5
97.06507	1.2
99.04468	3.9
103.05479	1.0
105.04492	0.4
105.07029	8.8
107.04953	0.6
107.08604	4.0
109.06519	53.0
109.10162	2.1
110.06854	1.3
111.04425	1.0
111.08091	1.8
113.06011	0.9
115.05419	3.0
115.05995	0.3
116.06236	0.4
117.07018	7.9
119.04934	0.7
119.08580	6.2
121.06516	2.4
121.10138	1.9
123.08081	3.1
125.05970	0.9
125.09621	0.7
127.03903	0.9
128.06213	5.4
129.06995	6.4
130.07811	2.4
131.04933	0.4
131.08569	7.4
133.06473	2.1
133.10133	4.0
135.08078	3.1
135.11705	0.5
137.05980	23.9
137.09583	1.7
138.06430	0.5
139.07545	8.6
141.07002	4.1
142.07793	3.1
143.08562	12.0
144.08884	0.5
145.06487	2.1
145.10120	12.7
146.10429	0.6
147.08028	5.8
147.11714	1.8
149.09615	1.9
153.07011	3.9
153.09052	0.6
154.07793	3.2
155.08553	57.9
156.09019	3.0
157.06512	1.0
157.10133	8.1
158.07269	3.1
158.10669	0.5
159.08069	4.6
159.11688	1.7
160.08783	0.5
161.09618	4.4
161.13164	0.6
163.07538	1.2
163.11183	1.0
165.06984	2.7
165.09145	1.2
166.07742	1.1
167.08548	3.7
168.09346	2.0
169.06613	0.4
169.10121	7.1
170.10826	0.6
171.08040	2.2
171.11708	3.2
172.08820	0.6
172.12201	0.4
173.09621	48.1
173.13290	0.9
174.09976	2.8
175.07576	1.1
175.11206	3.2
177.09148	0.4
177.12843	0.4
178.07796	1.6
179.08563	3.8
179.10178	0.4
180.09309	0.9
181.10139	5.9
182.07202	0.3
182.10843	1.2
183.08121	1.8
183.11674	3.8
184.08653	0.5
185.09631	3.4
185.13203	2.2
187.07504	0.8
187.11179	2.0
189.09142	1.0
189.12732	1.3
191.06979	0.4
191.08553	1.1
191.10628	0.6
192.09326	1.6
193.10126	4.8
194.10913	1.8
195.08047	1.6
195.11710	5.0
196.08838	0.8
196.12389	0.9
197.09634	4.1
197.13252	3.4
198.10229	0.7
199.11192	2.1
199.14824	1.3
201.09158	1.3
201.12791	1.2
203.08656	0.7
203.10689	1.8
204.09386	0.4
205.10167	2.2
205.12035	0.5
206.10948	1.5
207.08218	0.6
207.10115	1.2
207.11794	3.5
208.12398	1.0
209.09674	2.7
209.13251	4.7
210.10350	1.0
210.13849	0.7
211.07652	0.5
211.11180	3.9
211.14771	3.0
212.11862	0.6
213.09113	0.9
213.12680	1.7
213.16234	0.4
215.08713	0.6
215.10683	1.0
215.14279	0.8
216.09285	0.5
217.10155	1.3
218.10887	0.8
219.07893	0.3
219.11777	1.9
220.12479	1.3
221.09814	1.6
221.13275	4.1
222.10283	0.6
222.13828	0.9
223.11238	2.4
223.14815	3.0
224.11873	0.4
225.09152	1.2
225.12746	3.6
225.16376	0.6
226.13289	0.5
227.14380	1.9
228.14850	0.4
229.10165	0.5
230.10905	1.1
231.09909	0.7
231.11832	1.0
231.13724	0.5
232.12448	0.8
233.09666	1.0
233.13336	1.9
234.13902	0.6
235.11134	1.0
235.14809	3.8
236.11969	0.6
236.15456	1.0
237.12787	4.0
237.16409	1.3
238.13307	0.8
239.10738	2.2
239.14256	3.0
241.12225	0.5
241.15921	0.9
243.13835	0.9
245.09492	0.6
245.13397	2.2
246.13922	1.0
247.11313	0.8
247.14926	1.9
248.11826	0.8
248.15347	0.4
249.11105	9.0
249.16534	0.6
250.11377	0.4
251.14363	2.7
251.17957	0.9
252.15077	0.4
253.15904	3.4
254.16606	0.4
255.13750	1.8
258.13904	0.5
259.14844	0.7
260.15591	0.5
261.12769	1.3
261.16434	1.2
262.13367	0.5
263.14389	7.3
264.15112	2.1
265.12158	0.5
265.16010	1.8
265.19470	1.4
267.13928	0.7
269.15497	1.0
269.19049	0.6
273.12735	0.6
274.13477	0.5
275.17969	3.3
277.15860	0.5
279.13864	1.1
279.17432	1.5
281.12228	0.6
281.15405	4.8
282.15848	0.8
283.13290	0.9
283.17035	0.9
283.20679	0.6
289.12616	0.5
289.15961	0.8
291.17331	0.6
293.15695	0.8
293.18951	5.3
297.14899	1.2
297.18384	1.0
299.16614	0.5
303.17435	1.7
304.18109	0.5
307.13577	0.4
309.15164	0.4
309.18542	0.5
311.19937	2.6
321.18524	4.0
322.19189	0.6
325.14581	0.5
331.16876	0.4
335.16226	0.4
339.19574	6.4
340.19885	0.6
349.17920	0.4
361.17862	1.8
363.19675	0.5
365.17639	0.5
369.17059	1.0
373.17810	0.8
373.21970	0.5
375.19513	0.4
377.21454	0.8
379.19058	1.0
381.17032	1.5
383.20120	0.8
391.18848	1.1
391.23285	1.6
392.23157	0.4
395.18378	7.5
396.18765	0.6
401.21219	2.5
407.22028	0.6
409.23889	2.8
419.22336	16.4
420.22952	1.6
437.23270	100.0
438.23572	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01863	6.3
55.05511	16.2
57.03435	3.1
57.07072	3.1
65.03956	3.1
67.05508	34.4
69.03432	3.6
69.07071	10.3
70.56486	4.8
71.05007	3.9
74.56052	1.7
79.05496	16.9
81.07056	24.8
81.07518	2.6
83.04984	21.4
83.08615	5.6
83.30283	1.6
85.06537	3.2
91.05479	22.4
93.07040	32.3
95.04965	9.1
95.08607	51.9
95.55605	1.6
97.06535	5.6
97.10134	2.8
99.08085	2.1
103.05471	2.0
105.06386	2.2
105.07030	27.8
107.04959	2.4
107.08588	33.2
108.69582	1.7
109.06495	14.1
109.10158	20.4
111.04451	9.8
111.08041	9.3
113.05968	2.4
115.05447	3.1
117.07008	9.1
119.08577	33.4
121.06494	6.0
121.10138	21.4
123.08069	17.5
123.11682	3.6
125.05983	2.1
125.09667	13.7
128.06250	7.7
129.07018	10.5
131.04950	2.7
131.08562	21.1
133.06479	3.1
133.10117	18.2
135.08049	7.1
135.11685	12.3
137.05989	2.3
137.09589	8.6
139.07521	4.3
139.11281	2.0
141.06976	9.6
141.09116	3.6
142.07797	9.8
143.08554	28.3
144.09373	3.4
145.06459	4.5
145.10126	27.8
147.08049	6.3
147.11708	14.7
149.09628	5.3
149.13275	4.6
151.11171	3.3
152.06174	1.8
153.07002	5.1
154.07782	2.0
155.08534	18.5
156.09344	8.2
157.10117	31.3
159.08044	5.5
159.11691	22.1
161.09631	12.9
161.13264	7.4
163.07642	1.9
163.11157	4.3
165.06963	9.8
166.07686	3.1
167.08598	11.4
168.09268	3.2
169.06493	2.8
169.10127	22.2
170.10806	2.2
171.08063	6.6
171.11710	22.0
172.12183	2.0
173.05969	3.1
173.09628	5.9
173.13268	15.3
175.11195	8.3
175.14874	3.5
178.07747	2.9
179.08513	13.4
180.09314	6.0
181.06502	3.1
181.10139	19.9
182.10872	2.6
183.08025	5.4
183.11688	19.7
184.12352	3.8
185.09605	8.4
185.13261	14.7
186.10248	2.1
187.11208	7.3
187.14775	6.3
189.12767	8.7
191.08528	2.9
192.09311	2.8
193.10146	12.2
194.10851	5.3
195.08031	11.4
195.11708	20.4
195.13403	3.0
196.12387	4.9
197.09599	7.9
197.13269	16.1
198.10287	2.6
198.13957	3.1
199.11168	5.4
199.14818	8.8
201.12740	4.8
201.16527	2.4
202.07776	1.9
203.08556	5.5
203.14189	2.1
204.09366	5.5
205.10161	6.4
207.08012	3.4
207.11755	10.1
208.12332	3.6
209.09654	7.9
209.13237	15.8
210.14005	2.0
211.07613	3.6
211.11180	6.0
211.14777	11.2
213.09099	4.3
213.12738	6.4
213.16367	5.5
215.08783	2.2
215.14296	3.8
216.09378	2.5
217.10242	3.8
217.15875	3.6
218.10941	3.8
219.11778	8.8
220.12495	2.8
221.09576	4.2
221.13268	11.6
222.10278	2.7
222.14009	2.7
223.07605	10.9
223.11125	5.6
223.14830	11.7
224.15501	3.2
225.09108	13.5
225.12746	5.1
225.16277	9.1
227.10641	3.0
227.14236	3.7
227.17870	2.9
231.11847	4.5
232.08842	2.8
233.09618	7.5
233.13184	11.5
234.10313	2.1
235.11215	4.1
235.14893	7.6
236.12045	2.4
236.15434	2.3
237.12750	6.6
237.16388	8.9
239.10562	5.7
239.14267	2.6
239.17986	6.8
241.15895	5.7
243.11938	2.9
245.09654	4.5
245.13313	3.1
246.10287	4.5
247.11110	4.1
247.14954	2.8
249.12715	7.2
249.16466	4.8
251.10745	3.6
251.14253	10.0
251.17921	6.0
253.15814	3.3
253.19458	2.4
255.17598	3.6
255.20950	3.0
257.18970	4.0
259.11084	3.9
260.11755	2.1
261.12714	7.3
261.16287	3.0
262.13406	2.9
263.14188	4.1
263.17963	3.2
265.12280	4.4
265.15979	3.7
265.19513	4.7
267.17358	3.7
269.19043	2.4
277.12192	3.1
277.15958	4.1
277.19263	2.5
278.16321	2.0
279.13837	18.8
279.17084	4.1
279.21008	12.0
280.14368	2.8
281.15421	2.1
281.22495	2.0
285.18738	1.9
287.14224	2.3
291.20761	2.4
297.14865	10.1
297.18472	11.0
297.22101	10.9
305.15323	6.9
305.18823	2.3
309.18552	2.1
320.24982	1.9
323.20071	2.3
323.23807	2.9
345.22003	2.6
355.20569	2.8
373.21561	5.7
377.20883	2.8
379.26306	7.8
383.19724	2.9
391.22498	8.0
395.29544	5.7
401.20917	14.0
402.21146	3.3
419.22070	49.3
419.29361	40.2
420.22128	2.6
420.30075	2.5
437.23309	25.4
437.30441	100.0
438.23929	2.7
438.30789	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2664
Annotation	LPA(18:1)
Peak:m/z	Relative Intensity
55.05510	27.4
56.05036	8.5
57.03440	9.8
57.07073	15.5
59.28807	5.0
64.17283	4.1
67.05505	33.6
69.07066	34.6
69.23211	33.2
69.23629	10.6
71.08635	7.4
79.05509	11.5
80.20112	5.3
81.07066	40.1
83.04993	7.0
83.08617	17.4
89.06039	100.0
91.05484	13.0
93.07059	30.9
94.56913	5.2
95.08627	36.2
97.06573	8.4
97.10175	16.0
98.98474	61.0
101.53087	4.9
105.07042	15.5
107.08607	23.9
107.26907	4.8
109.06474	5.2
109.10177	28.0
117.07023	6.3
119.08604	13.8
121.10148	15.0
123.11729	10.4
131.08589	8.7
133.08611	48.2
133.10124	9.9
135.11690	10.7
142.07751	4.8
145.10141	11.8
147.11664	14.3
151.09738	5.0
154.12254	18.8
155.01093	12.8
155.12611	11.6
157.10193	13.3
159.11691	17.7
163.11166	6.1
169.10266	5.7
171.14917	10.7
172.15245	7.0
175.04538	11.7
177.11273	10.9
201.16420	6.4
239.14920	69.0
247.24184	5.1
259.11771	4.8
265.25266	10.3
313.21509	5.1
315.67224	5.5
321.22589	11.3
339.28946	67.2
340.29172	5.7
340.69156	5.3
437.34045	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07576	0.5
53.88923	0.5
55.01872	1.4
55.05507	3.0
57.03418	0.7
60.47919	0.5
65.03929	0.9
67.05499	6.0
69.03425	1.1
69.07064	2.6
70.14262	0.5
70.16830	1.3
70.17221	1.3
71.04966	0.7
77.23440	0.6
79.05489	2.1
81.03397	0.6
81.07052	3.8
83.04987	4.3
83.08594	0.7
85.06537	0.7
91.05477	4.5
93.07050	7.3
94.07448	0.5
95.04964	1.6
95.08604	8.1
97.06532	1.6
98.22674	0.6
105.07019	3.7
107.04957	0.9
107.08591	4.0
109.02884	0.6
109.06515	2.2
109.10146	3.7
111.04437	2.4
111.08080	1.9
113.06026	0.7
115.05434	0.7
117.07008	1.8
119.08550	3.6
121.06498	1.5
121.10149	1.7
123.08076	1.5
123.11671	0.6
128.06198	1.4
129.06996	2.3
131.04907	0.7
131.08565	2.1
133.06523	0.6
133.10129	2.0
135.08052	1.9
135.11699	0.7
137.05943	0.7
137.09631	0.6
139.07494	0.7
141.06970	1.7
142.07776	1.7
143.08582	4.4
145.10092	2.6
147.08131	1.2
147.11650	1.4
152.06161	0.5
153.07010	1.0
153.09134	0.6
154.07846	0.6
155.08542	4.6
156.09331	1.5
157.10112	5.7
159.08052	1.0
159.11713	1.7
161.09593	1.3
165.07011	2.2
166.07779	1.2
167.08603	2.7
168.09280	1.2
169.10126	3.8
171.08058	1.1
171.11673	2.4
173.09621	1.2
175.11142	0.7
178.07822	0.7
179.08557	2.3
180.09334	1.7
181.10109	6.7
182.10823	2.1
183.08067	1.1
183.11664	4.3
184.12263	0.6
185.13226	1.2
187.11182	1.3
187.14841	0.9
191.08673	0.7
192.09317	1.2
193.05008	0.9
193.10112	2.8
194.10829	2.3
195.08089	1.1
195.11676	16.6
196.12320	2.6
197.09686	1.9
197.13255	5.1
198.10307	0.7
198.13667	0.8
199.11298	0.7
199.14966	0.6
201.08942	0.5
201.86121	0.5
202.07822	0.5
203.08531	1.1
204.09296	1.0
205.10115	2.1
206.05893	0.6
206.10983	1.3
207.11713	5.5
208.08855	0.6
208.12408	1.8
209.09607	1.6
209.13261	10.6
210.13972	2.8
211.11200	1.5
211.14677	2.5
213.12712	1.4
217.12111	0.8
218.10971	0.6
219.11682	4.5
220.12407	1.7
221.09737	0.5
221.13258	4.2
222.14043	1.9
223.11176	1.6
223.14812	4.1
224.11859	1.0
224.15436	1.5
225.09138	0.5
225.12675	1.6
227.10692	2.3
227.14436	0.7
231.11752	1.1
232.12534	0.9
233.13239	2.5
234.13992	0.6
235.11145	1.4
235.14818	5.6
236.15529	2.1
237.12776	3.3
237.16341	8.4
238.17043	2.4
239.14243	2.2
239.18031	0.7
241.12241	0.9
245.13287	1.4
246.14043	0.7
247.14804	1.4
249.12709	1.3
249.16444	1.9
251.14291	1.1
251.17970	2.2
253.12288	0.9
253.15678	0.7
254.13033	0.8
255.13893	2.0
257.15384	5.1
259.14719	0.8
261.12814	1.2
261.16397	1.8
263.14450	1.4
263.17917	2.9
265.12314	0.7
265.15967	0.7
265.19614	0.8
267.13821	1.3
268.14566	1.0
277.15732	1.0
279.13773	2.7
279.17392	2.8
280.14346	0.7
281.15463	1.3
282.16034	1.2
283.16846	3.0
291.13556	0.7
297.18475	100.0
298.18839	9.7
305.15573	0.6
305.18967	1.7
311.19913	1.0
319.24222	0.6
321.18570	0.6
323.20071	1.5
325.21530	0.7
337.21542	1.1
338.22470	1.2
339.34192	0.6
349.21558	0.7
359.19797	0.6
359.23865	0.6
363.19208	0.8
373.25281	0.9
375.23450	0.9
377.24826	1.2
391.26331	1.5
401.25266	2.8
419.21820	4.8
419.25833	7.1
437.22461	13.9
437.28021	2.6
438.23389	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19035	1.7
51.26671	1.5
53.03930	2.7
55.05510	23.1
57.07055	2.4
58.81080	1.8
59.04976	2.8
64.39136	1.6
65.03925	2.6
67.05500	28.5
68.05800	2.0
69.03403	4.0
69.07069	12.4
69.72115	6.4
71.04968	3.0
79.05483	16.2
81.07058	24.4
83.04979	27.6
83.08583	3.9
91.05481	27.1
93.07047	36.6
95.04988	8.9
95.08611	57.6
97.06485	5.2
99.04436	2.4
103.05386	2.5
105.07027	38.0
107.08601	32.4
107.46968	1.9
109.06454	6.2
109.10153	14.1
111.04388	5.6
111.08083	11.4
113.06001	2.1
115.05424	2.1
117.07029	10.3
117.49064	1.7
119.07792	2.6
119.08574	35.6
120.08790	1.8
121.06445	5.6
121.10149	15.6
123.08082	18.6
123.11662	2.0
125.09603	3.2
128.06195	8.9
129.06992	14.9
130.07729	3.0
131.07719	1.8
131.08560	24.2
133.06454	2.4
133.10141	23.4
135.07973	7.3
135.11679	10.9
137.05937	3.2
137.09557	5.4
139.07454	6.8
141.06982	9.5
141.09029	5.0
142.07794	15.4
143.08560	29.5
144.09259	2.8
145.06445	2.0
145.10124	33.5
147.07967	8.1
147.11708	10.1
149.05904	1.7
149.09567	7.3
153.06900	6.2
154.07704	5.5
155.08546	25.4
156.09363	12.8
157.08955	3.0
157.10118	51.6
158.10483	5.6
159.08032	3.7
159.11703	26.6
160.12056	3.2
161.09616	16.7
161.13260	9.7
162.08536	1.7
163.11073	5.8
165.06938	5.7
166.07654	5.0
167.08568	14.0
168.09241	7.9
169.10124	43.0
170.10672	7.7
171.07997	3.3
171.11685	32.5
172.08894	1.8
172.11908	2.9
173.09628	10.6
173.13248	9.1
173.14468	1.8
175.11111	6.9
175.14720	2.9
177.09062	2.2
179.08458	9.6
179.10533	3.3
180.09288	12.5
181.10135	28.6
182.10872	9.3
183.07985	3.3
183.10208	2.4
183.11685	45.7
184.12227	6.6
185.09515	6.0
185.13257	17.6
187.07455	2.8
187.11113	7.6
187.14775	2.4
189.09044	2.2
189.12610	5.5
191.08632	2.5
191.10551	9.2
192.09270	3.8
193.10190	12.7
194.10898	10.3
195.11691	44.6
196.12450	10.1
197.09489	5.8
197.11702	3.0
197.13257	40.6
198.13756	3.6
199.07628	2.6
199.11095	8.0
199.14763	9.9
201.09030	4.1
201.12651	2.5
205.10197	2.4
205.12096	2.5
206.10828	5.9
207.11705	23.6
207.13608	3.2
208.12457	11.8
209.09673	2.8
209.11436	2.2
209.13251	39.6
210.13945	8.4
211.11287	8.5
211.14799	30.4
212.15189	3.0
213.12608	7.4
213.16321	5.0
215.10571	4.4
215.14204	3.0
217.12036	2.4
219.11623	7.6
220.12289	5.8
221.09554	2.4
221.13281	15.7
222.14032	11.0
223.11264	10.2
223.14775	27.8
224.11687	2.3
224.15424	4.1
225.12741	11.7
225.16269	9.5
227.10555	5.2
227.14188	3.9
229.12128	7.1
231.13655	7.5
232.12230	3.7
233.13107	6.8
234.13980	4.1
235.14819	18.9
236.15326	5.8
237.12595	7.6
237.16362	34.9
238.16718	3.7
239.10513	2.6
239.14345	11.0
239.17870	3.7
241.12239	15.0
241.15775	4.0
242.12778	2.0
243.13788	18.2
243.17339	2.7
245.15283	2.2
246.13837	2.9
247.14665	6.4
248.15520	2.2
249.12625	3.1
249.16194	7.4
250.16792	3.4
251.14175	7.6
251.17947	29.9
252.18358	4.3
253.19354	3.9
255.13785	12.1
257.15384	16.8
257.18091	2.2
257.18948	1.9
259.14517	2.2
259.16837	5.3
261.12219	1.8
261.16241	8.5
262.16855	2.2
263.14072	4.1
263.17822	6.7
264.18362	2.4
265.15732	6.1
265.19339	3.0
265.80658	1.9
267.13593	2.1
269.15436	12.0
275.14236	2.8
277.15701	9.8
277.19040	3.8
278.16336	2.9
279.17255	26.9
279.20728	5.6
280.17801	2.9
281.15097	5.4
281.18753	4.3
283.16977	8.8
287.17743	2.7
289.15768	2.3
291.17291	3.3
292.21652	2.6
293.15201	2.5
295.13553	1.8
295.17026	14.7
296.17358	5.5
297.18494	70.5
297.21729	5.8
298.18735	7.6
299.19870	4.2
300.20471	2.3
305.18735	7.8
305.21887	2.2
307.16815	2.8
307.20560	2.1
309.18372	3.8
321.18256	4.7
323.20078	27.6
324.20502	3.4
331.20255	2.1
335.20129	3.3
337.10391	4.9
337.21576	4.4
338.22034	7.2
345.21982	2.9
345.25876	2.2
351.22836	4.6
361.21350	2.2
373.25266	14.2
377.24423	3.5
383.23456	4.8
391.26379	52.7
392.26151	5.1
401.24728	26.0
402.24939	4.2
419.25613	100.0
420.25977	15.3
437.26443	95.0
437.31232	3.7
438.26904	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2685
Annotation	Grevirobstol C
Peak:m/z	Relative Intensity
53.03934	0.7
55.01860	0.4
55.05511	3.1
56.03666	0.2
56.05814	0.3
57.03428	0.4
57.07050	0.5
65.03925	0.9
67.05503	9.7
68.36272	0.2
69.03426	1.3
69.07063	2.0
71.04991	0.5
74.49979	0.2
77.03907	0.4
79.05058	0.5
79.05487	4.8
81.07056	6.6
82.07393	0.4
83.04978	3.0
83.08606	0.6
85.06528	0.8
91.05476	8.2
92.05804	0.3
93.07045	11.7
94.07349	0.4
95.04971	4.1
95.08604	16.2
96.08936	0.7
97.02905	0.6
97.06526	1.8
97.10165	0.4
99.04432	0.4
99.08137	0.2
103.05442	0.6
105.04496	0.4
105.07029	11.7
106.07347	0.4
106.12048	0.2
107.04932	0.4
107.08589	7.5
108.08912	0.5
109.06516	8.9
109.10139	3.0
110.06844	0.3
111.04440	0.9
111.08078	3.4
113.05965	0.4
115.05430	1.2
116.06258	0.3
117.07014	3.6
119.04915	0.5
119.08578	9.0
120.08893	0.5
121.06512	2.9
121.10148	3.7
123.08069	4.9
123.11655	0.5
124.08405	0.3
125.09599	0.7
128.06206	3.5
129.07008	5.0
130.07755	0.9
131.08566	8.3
132.08897	0.4
133.06500	0.4
133.10127	6.6
134.10435	0.3
135.08052	2.3
135.11699	1.3
137.05995	0.4
137.09598	0.9
139.07518	0.9
141.06981	3.3
141.09074	0.9
142.07770	4.7
143.08562	10.8
144.09364	1.2
145.06474	0.8
145.10120	9.8
146.07233	0.3
146.10506	0.6
147.08040	1.9
147.11671	3.2
147.12767	0.4
148.12091	0.3
148.60968	0.3
149.09589	1.1
149.13228	0.3
152.06160	0.3
153.07014	1.1
154.07750	0.8
155.08548	8.9
156.09320	2.2
157.06451	0.3
157.10124	14.5
158.07239	0.3
158.10640	0.7
159.08063	1.9
159.09119	0.2
159.11702	6.2
160.08757	0.3
160.12029	0.5
161.09644	3.7
161.13190	1.5
162.09926	0.3
163.11140	0.9
165.06976	1.9
166.07756	1.2
167.08565	3.4
168.09302	1.4
169.06587	0.2
169.10139	6.3
170.10797	1.0
171.08083	1.3
171.10393	0.4
171.11694	5.6
172.08839	0.5
172.12151	0.6
173.09615	4.1
173.13287	2.4
174.10098	0.3
174.13583	0.3
175.11194	3.2
175.14845	0.4
177.09148	0.4
177.12773	0.4
178.07787	0.7
179.08562	2.9
180.09331	2.4
181.08592	0.4
181.10112	5.3
182.10898	2.2
183.08075	0.6
183.11670	5.0
184.12312	0.9
185.09631	2.0
185.13266	4.0
186.10294	0.3
186.13866	0.5
187.11182	2.1
187.14822	1.8
189.09143	0.3
189.12732	1.0
191.08534	0.7
191.10689	0.5
192.09338	1.6
193.10121	4.1
193.12117	0.3
193.12437	0.2
194.10924	2.8
195.11693	6.7
196.12419	1.9
197.09598	1.0
197.13260	7.7
198.13930	1.2
199.11151	1.7
199.14841	3.7
200.15302	0.4
201.12759	0.8
201.16310	0.3
203.08546	0.6
203.10670	0.5
203.14311	0.4
205.10129	1.9
205.12155	0.6
206.10901	1.3
207.11697	5.4
208.12292	1.2
209.09665	0.7
209.13248	9.5
210.10318	0.4
210.13914	1.2
211.11179	1.9
211.14818	4.7
212.11821	0.5
212.15289	0.6
213.12753	2.4
213.16338	1.2
214.13347	0.6
215.08749	0.3
215.14311	3.7
216.14613	0.4
217.10068	0.8
218.10852	0.8
219.10074	0.3
219.11703	2.2
220.12451	0.7
221.09692	0.3
221.13261	3.1
222.13828	0.8
223.11148	0.9
223.14803	3.0
224.11830	0.4
224.15378	0.6
225.12749	3.5
225.16328	1.1
226.13275	0.6
226.16833	0.2
227.10764	0.4
227.14307	5.0
227.17682	0.4
228.14864	0.8
229.10098	0.3
229.15785	1.2
230.10831	0.5
231.11707	1.0
232.12492	0.8
233.13219	2.1
234.13838	0.7
235.14799	2.7
236.15471	0.7
237.12712	0.9
237.16405	2.7
238.16737	0.3
239.14323	1.4
239.17879	1.3
240.18373	0.3
241.12146	0.5
241.15959	1.5
241.19380	0.3
242.16208	0.4
244.12477	0.4
245.13156	0.9
246.14030	0.8
247.14851	2.4
248.15434	0.5
249.12740	0.5
249.16396	2.8
250.17006	1.0
251.14317	0.9
251.17960	3.2
252.15070	0.3
252.18417	0.3
253.15775	0.7
253.19289	0.8
255.13799	0.3
255.17316	0.4
257.13113	0.3
259.14731	0.8
260.15588	0.4
261.16382	2.6
262.16904	1.0
263.14252	0.7
263.17914	1.5
264.18314	0.5
265.15836	1.5
265.19360	0.3
267.17389	2.6
267.20944	0.7
269.19101	1.4
269.21588	0.3
271.14679	0.6
272.15607	0.2
273.16202	0.4
275.14499	0.2
275.17966	0.8
277.15829	0.8
277.19461	1.8
278.16235	0.4
278.19864	0.6
279.17401	3.1
279.20804	0.6
280.18143	1.1
281.16055	0.3
281.18896	1.3
283.16769	0.3
287.17957	0.6
289.19418	0.4
291.17438	0.6
291.20908	0.4
292.21457	0.3
293.18918	0.5
295.17239	0.3
295.20508	2.4
296.20517	0.3
297.18469	1.0
301.19601	0.4
302.20483	0.4
303.17136	0.3
305.19006	1.2
307.20670	0.3
308.21198	0.5
315.21176	0.2
317.18930	0.6
319.20462	0.5
320.21426	0.4
323.19974	0.5
328.79318	0.3
333.17819	0.2
335.20020	0.4
341.17761	0.3
345.21899	0.4
345.25714	0.6
355.23981	0.4
363.23093	0.3
363.26834	2.0
373.25247	4.7
374.25479	0.9
377.24625	0.3
379.26337	0.3
381.27597	0.3
383.23706	0.8
389.24933	0.6
391.26312	10.1
392.26428	1.3
401.24734	7.4
402.24930	0.9
407.25711	2.4
408.26157	0.4
409.27347	2.5
410.27835	0.3
419.25772	19.9
420.26236	2.3
437.26801	100.0
438.12842	0.7
438.27216	12.6
446.82098	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
55.05514	10.6
57.07068	1.9
60.58566	0.9
65.03938	1.4
67.05505	17.9
69.03423	1.9
69.07071	8.3
69.86337	2.9
69.86746	1.6
71.04990	1.5
79.05488	9.6
81.07059	16.4
83.04976	13.3
83.08634	2.9
85.06544	2.0
91.05484	14.6
93.07037	27.5
94.07371	1.6
95.04962	5.5
95.08604	41.2
96.08926	2.2
97.06544	3.9
97.10204	1.1
98.22682	1.1
98.23243	1.6
99.04462	2.0
103.05483	1.3
105.03419	1.6
105.04510	0.9
105.07034	25.4
106.07355	1.5
107.04974	1.1
107.08588	21.4
108.08911	1.8
109.06548	4.7
109.10152	13.0
111.04425	7.5
111.08080	10.2
113.06015	2.1
115.05444	1.7
117.07009	6.7
119.08578	25.9
120.08891	1.5
121.06495	4.4
121.10137	15.0
123.08078	12.7
123.11721	4.2
125.09680	4.6
128.06245	3.4
129.06963	6.6
130.07764	2.7
131.08568	19.5
133.06534	1.1
133.10124	15.8
134.10506	1.2
135.08081	4.9
135.11690	8.5
137.09644	3.6
139.07513	4.9
141.07007	3.6
141.09102	3.2
142.07809	6.7
143.08571	16.4
144.09277	2.8
145.06537	2.1
145.10132	25.3
146.07324	1.0
146.10699	1.6
147.08006	5.1
147.11684	15.2
149.09682	2.7
149.13354	1.8
153.07016	2.6
154.07727	1.3
155.08536	12.5
156.09348	6.7
157.10127	29.6
158.10623	2.0
159.08089	4.8
159.11697	17.6
160.08881	1.5
160.12212	1.9
161.09605	10.4
161.13242	7.0
163.11128	4.4
163.14781	1.2
165.07037	3.8
166.07779	2.5
167.08543	7.8
168.09344	3.8
169.10127	26.2
170.10875	5.6
171.11696	26.8
172.12105	2.9
173.09605	10.7
173.13242	7.9
175.11145	5.3
175.14824	2.7
177.09154	4.2
179.08557	4.5
179.10692	1.8
180.09370	5.7
181.10101	17.4
181.11897	1.0
181.12172	0.8
182.10895	9.6
183.11694	35.7
184.12314	4.8
185.09639	2.8
185.13266	15.0
186.10085	0.9
186.13834	1.7
187.11142	8.2
187.14841	3.5
189.12759	7.1
191.10646	18.5
192.09413	1.2
192.11073	1.1
193.10120	8.0
194.10892	5.5
195.11687	22.3
195.13434	0.9
196.12407	3.2
197.09637	1.6
197.13258	28.1
198.13725	3.3
199.11160	3.8
199.14763	10.4
199.16139	0.9
200.15198	1.8
201.12744	3.4
201.16399	3.4
203.10663	0.9
203.14313	2.2
205.10164	1.3
205.12274	2.5
206.10910	2.5
207.11696	12.3
207.13655	1.9
208.12390	6.2
209.09845	0.8
209.13239	23.1
210.13928	4.1
211.11269	4.9
211.14832	8.8
213.12767	7.9
213.16402	3.8
215.10854	1.0
215.14275	1.8
217.12308	2.7
218.10803	1.2
219.11674	2.5
219.13843	1.1
220.12521	3.6
221.13275	15.1
222.13948	7.3
223.11243	4.1
223.14778	19.9
224.15472	5.4
225.12785	10.1
225.16348	6.5
227.10706	3.5
227.14310	4.0
227.17940	1.8
228.14886	1.1
229.12234	6.0
231.11732	1.7
231.13843	2.9
233.13213	4.9
234.14069	1.6
235.14824	16.0
236.15488	2.9
237.12845	5.4
237.16357	40.8
238.16956	3.8
239.14278	6.4
239.17900	5.7
241.12245	14.1
241.15875	4.1
242.12944	3.2
243.13811	24.0
243.17540	2.0
245.13156	1.8
245.15457	2.7
246.14114	2.1
247.14914	2.1
248.15491	2.2
249.12746	2.5
249.16402	6.2
250.16968	1.3
251.14383	4.8
251.17987	5.6
252.18385	1.4
253.15892	1.8
253.19576	2.3
255.13785	6.4
256.14764	1.7
257.15402	12.8
257.18048	1.3
257.19083	1.1
258.15891	1.6
259.14661	1.7
259.17068	1.8
261.13699	1.0
261.16330	6.1
263.14426	2.2
263.17966	6.8
264.18527	1.4
265.15866	4.3
265.19440	3.6
267.14072	1.2
267.17340	1.0
267.21103	1.3
269.15356	8.9
269.22665	2.3
270.15948	1.8
271.17065	1.4
275.14450	1.4
275.17902	1.3
277.15948	4.4
277.19467	3.6
278.16437	1.0
279.17459	15.5
279.21045	8.9
280.17865	1.6
280.21606	1.7
281.15649	2.1
281.18954	2.2
281.22360	2.0
282.16080	1.8
283.16888	4.8
289.15961	1.4
291.17593	1.6
291.21057	1.7
292.21780	1.6
293.15521	1.0
295.17047	5.3
295.19983	1.0
296.17691	3.0
297.18521	42.1
297.22070	4.9
298.18976	3.3
299.19983	2.6
300.20587	1.1
303.17349	1.6
305.15833	1.4
305.19046	4.7
305.22220	1.5
307.20535	1.4
307.24313	1.0
308.17319	1.0
309.18509	2.8
309.22025	2.0
319.20700	1.4
320.21451	1.8
320.25012	2.7
321.18475	3.1
323.20004	6.4
325.21582	2.1
335.19904	1.2
337.21594	2.3
338.22485	3.3
341.18848	1.3
345.22058	1.6
349.21683	1.8
359.23773	2.0
363.23199	2.3
373.25308	3.9
377.24701	4.0
379.26053	2.3
383.23550	4.5
391.26205	9.9
393.27881	2.5
395.29120	1.2
401.24649	15.6
402.24832	1.8
419.25348	13.2
419.30316	24.3
420.25525	2.3
420.30322	2.4
437.26218	100.0
438.26651	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2687
Annotation	20-Hydroxytingenone
Peak:m/z	Relative Intensity
53.03934	3.7
55.01865	1.4
55.05512	9.6
57.07079	6.9
60.59699	1.2
64.53070	1.1
65.03918	1.9
67.05506	16.0
69.03414	3.1
69.07072	9.7
69.22383	8.2
71.04986	1.5
71.08610	3.5
71.97011	1.1
75.58884	1.1
79.05496	9.0
81.07053	17.1
83.04973	6.0
83.08601	2.9
85.10176	2.9
86.43535	1.2
89.06032	15.1
91.05473	11.7
93.07040	23.4
95.04945	5.5
95.08607	35.1
96.08936	1.9
97.06533	3.2
97.10158	2.1
98.22677	1.7
105.03353	5.4
105.07027	20.3
107.08588	16.4
108.08926	1.5
109.06503	4.3
109.10156	11.9
111.08084	8.4
115.05474	1.8
117.07006	5.6
119.07915	1.4
119.08582	17.3
121.06504	4.3
121.10149	10.9
123.08066	11.7
123.11677	3.4
125.09579	2.8
128.06187	4.6
129.06998	7.9
130.07750	1.1
131.08557	12.1
133.08577	5.1
133.10112	9.5
135.08002	2.5
135.11670	4.0
137.05914	1.5
137.09630	2.5
139.07527	5.1
141.06989	4.4
142.07787	6.9
143.08560	17.0
145.10117	16.8
147.08029	3.6
147.11656	5.3
149.09605	4.1
149.13193	2.7
153.06990	2.5
153.09079	2.1
154.07751	1.9
155.08563	15.4
156.09293	6.5
157.10118	27.2
158.10678	1.6
159.07973	2.5
159.11678	14.8
161.09586	5.2
161.13252	2.9
163.11148	3.8
165.06938	4.0
167.08588	6.8
168.09303	4.7
169.10127	16.9
170.10738	3.6
171.08083	1.8
171.11664	15.9
173.09572	3.0
173.13228	5.5
175.11121	3.7
179.08566	5.5
179.10652	1.8
180.09302	5.2
181.10130	13.6
181.11681	1.8
181.12238	1.8
182.10786	5.0
183.07971	2.5
183.11670	17.4
184.12309	1.9
185.09552	4.1
185.13222	9.1
187.11157	2.2
187.14752	1.7
189.12723	3.0
191.10667	1.5
192.09302	3.6
193.10150	7.4
193.25041	1.2
194.10783	4.7
195.08095	1.5
195.11705	20.7
195.13625	2.5
196.12318	5.6
197.09567	3.2
197.13220	15.0
199.07449	2.3
199.11015	2.3
199.14781	3.6
201.09042	1.4
201.12651	2.0
201.16362	1.8
203.08501	1.5
205.10112	2.4
206.10835	2.9
207.11703	9.4
208.08699	1.3
208.12378	2.5
209.09610	1.9
209.13242	16.8
210.13939	4.4
211.11151	5.2
211.14806	15.3
213.09117	2.4
213.12704	5.2
213.16325	1.9
215.10710	1.7
219.11551	3.2
221.13190	10.2
222.13901	3.8
223.11185	8.6
223.14717	10.1
225.12775	5.9
225.16417	5.8
227.10742	1.9
227.14308	2.2
227.17957	2.1
229.12161	2.4
231.13789	3.9
233.13081	1.6
234.13860	1.7
235.11113	2.0
235.14803	5.8
236.15405	2.5
237.12662	3.9
237.16362	5.2
238.13252	1.7
239.10655	1.5
239.14214	4.4
241.12215	6.0
242.12704	1.6
243.13788	7.8
246.14008	1.6
247.14786	2.3
249.12726	2.8
249.16368	7.1
250.17032	1.5
251.14238	2.4
251.17935	13.0
252.18289	1.7
253.12184	3.1
253.15987	1.7
253.19376	2.9
255.13739	5.1
257.15460	7.4
259.14554	1.7
259.16956	2.7
261.16339	3.7
262.16675	1.3
263.14169	2.6
263.17862	2.8
265.12064	1.6
265.15845	2.7
265.19412	1.9
267.13708	1.9
269.15335	6.7
270.15793	1.2
271.17035	1.5
275.14285	1.9
277.15817	6.4
277.19315	3.3
279.17493	15.8
279.20554	2.7
280.17810	1.7
281.15182	3.3
281.18506	1.5
283.17004	2.5
285.03946	2.6
291.17352	2.9
292.21722	3.1
293.15259	1.6
295.16861	11.9
296.17560	3.5
297.18472	34.6
298.18723	3.2
299.20013	3.5
301.07074	1.9
303.17316	1.7
305.18848	4.6
309.18463	3.8
317.18771	1.7
320.21234	2.9
321.18350	3.5
323.20016	19.2
331.67114	1.2
337.21619	3.8
338.22256	3.4
361.21506	3.0
363.23090	2.6
373.25366	6.4
383.23734	1.9
391.22650	3.2
391.26450	29.5
392.26498	3.1
401.24750	22.0
401.33899	4.1
402.25290	2.0
419.25772	100.0
419.34064	9.0
420.26050	13.4
422.10013	8.0
437.26669	49.6
437.33295	2.1
438.26962	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01875	2.0
55.05512	30.1
57.03437	2.4
57.07071	14.7
65.03958	3.8
67.05505	49.1
69.03441	2.7
69.07071	35.4
69.22336	15.2
71.05011	2.5
75.04533	1.7
79.05500	26.7
81.07056	64.7
82.07399	2.8
83.04987	12.4
83.08609	13.4
85.06554	4.3
86.26647	1.6
89.98523	1.9
91.05480	38.2
93.07047	71.2
95.04987	9.3
95.08607	100.0
96.08971	2.8
97.06545	7.8
97.10163	5.1
99.04490	2.1
105.07030	70.0
107.08591	55.2
107.09283	3.5
109.06525	9.1
109.10155	45.9
111.04437	4.7
111.08081	20.6
115.05437	3.6
117.07000	15.2
117.16538	2.0
119.08583	61.5
121.06528	5.7
121.10146	40.9
123.08071	19.9
123.11699	18.9
125.06020	2.1
125.09631	7.8
127.07575	4.7
128.06233	4.3
129.07057	12.1
130.07765	3.6
131.08575	37.0
131.33116	2.1
133.10133	58.6
135.08069	7.9
135.11711	19.5
137.06001	6.0
137.09659	4.5
137.13268	3.3
139.07529	14.9
139.11052	2.2
141.07030	6.9
141.09064	3.7
142.07793	12.9
143.08548	32.1
144.09315	4.6
145.10117	49.3
146.10365	3.0
147.08063	5.9
147.11681	37.3
149.09648	4.1
149.13251	9.9
151.11142	3.6
153.06989	3.3
153.09108	7.8
154.07748	3.1
155.08527	17.7
156.09357	10.6
157.10123	42.0
158.10869	6.7
159.08052	2.9
159.11685	61.7
161.09650	9.3
161.13266	38.9
163.11198	3.6
163.14847	5.9
165.07059	7.1
167.08591	8.6
167.10692	6.3
168.09344	5.4
169.10118	27.3
170.10849	5.8
171.08075	2.4
171.11665	26.9
172.12321	4.2
173.09674	5.4
173.13272	28.0
174.13690	2.3
175.11189	5.4
175.14806	14.1
176.11404	2.1
177.16402	4.9
179.08702	4.3
179.10678	3.6
180.09436	5.0
181.10156	15.2
181.12219	3.5
182.10898	7.5
183.11710	28.3
184.12413	4.8
185.13249	20.7
186.13940	2.1
187.11217	4.5
187.14816	34.8
189.12764	7.1
189.16370	16.3
191.14359	2.4
191.17960	2.5
192.09338	4.6
193.10139	8.3
193.12204	2.4
194.10880	9.2
195.11726	25.2
195.13661	4.2
196.12363	6.1
197.09596	3.5
197.13242	23.9
198.13824	3.4
199.07562	2.4
199.11147	5.0
199.14813	15.0
201.12715	2.6
201.16417	37.8
203.17955	38.7
205.10127	3.8
206.10910	2.8
207.11700	8.6
207.13805	4.0
208.12451	5.4
209.09593	2.0
209.13246	27.5
210.13918	5.4
211.11218	4.5
211.14812	19.2
213.08952	2.3
213.12721	4.6
213.16461	7.6
215.14384	4.2
215.17896	10.9
217.15868	3.0
217.19565	4.0
219.11691	5.9
219.13763	1.9
220.12425	2.6
221.13240	8.8
221.15309	4.5
223.11217	7.2
223.14824	15.9
225.12839	5.5
225.16385	9.6
227.14319	3.1
227.18030	6.5
229.12256	2.7
229.16028	2.4
231.13853	3.1
233.13287	3.9
233.15300	3.2
235.14886	9.2
235.16928	3.6
237.12750	4.2
237.16393	12.6
239.14398	5.1
239.17889	9.3
240.18857	2.1
241.12308	5.5
241.16077	4.1
241.19447	3.1
243.13902	8.7
243.17540	2.9
247.14684	2.7
247.17072	5.4
249.12636	2.2
249.16425	5.7
251.14275	2.2
251.17978	19.8
253.15971	2.4
253.19547	5.9
254.20062	2.4
255.13982	5.7
255.17509	3.2
255.21086	3.0
257.15442	5.3
257.19138	2.1
259.16992	4.7
261.16278	3.3
261.18665	3.5
263.14133	3.3
263.18039	2.9
265.15900	3.2
265.19684	3.1
269.15393	5.4
277.15854	3.9
277.19360	4.7
278.16632	2.4
279.17438	15.9
279.21063	6.3
281.15298	4.5
292.21899	3.6
295.16949	8.5
295.19928	2.0
296.17590	3.1
296.24945	2.1
297.18503	33.0
297.21857	3.8
298.19034	2.7
299.19745	2.8
303.20880	2.6
305.18985	4.5
309.18488	2.5
323.20020	13.7
329.24960	2.5
337.21790	3.7
338.22400	2.8
359.56552	2.1
373.25250	6.3
379.26440	4.6
381.27930	4.2
389.34058	5.9
391.26462	38.4
392.27109	3.5
394.28485	2.5
395.29437	3.2
401.24783	13.8
401.34109	27.3
419.25397	66.8
419.30579	3.7
419.34390	34.1
420.26193	6.7
420.35458	3.6
437.26382	11.1
437.29904	11.6
437.34323	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3051
Annotation	Isoiguesterol
Peak:m/z	Relative Intensity
50.44287	2.7
50.57386	2.5
53.03947	6.8
55.01889	4.0
55.05512	54.0
57.03456	3.7
57.07067	6.9
59.04988	3.8
65.03951	5.8
67.05508	41.3
69.03439	7.5
69.07074	19.8
69.22453	3.0
69.32327	10.7
69.32765	11.3
69.78455	2.5
79.05495	29.2
81.03408	3.4
81.07060	51.6
83.04979	59.3
83.08620	7.4
91.05472	33.7
93.07043	59.7
94.64482	2.9
95.04978	8.8
95.08607	82.3
97.06548	8.9
99.04463	2.7
105.07029	61.3
105.07677	5.4
106.45805	2.5
107.04977	3.4
107.08586	46.0
109.06528	12.4
109.10144	31.3
111.04451	8.0
111.08076	13.0
113.06033	3.3
115.05465	6.2
117.07005	20.4
119.08587	52.6
120.07085	2.2
121.06472	6.6
121.10127	37.3
121.62885	2.3
123.08048	18.2
123.11716	8.0
125.05900	4.7
125.09630	16.2
128.06236	8.9
129.06996	21.2
130.07773	3.4
131.08562	43.6
133.06497	2.9
133.10120	36.6
135.08046	9.8
135.11725	14.2
136.41116	2.4
137.06000	2.7
137.09625	8.7
139.07578	5.8
141.06999	9.8
141.09103	6.8
142.07765	17.3
143.08545	47.7
144.09277	3.4
145.10117	50.4
146.07251	2.8
147.08076	7.4
147.11656	16.6
149.09625	9.6
149.13252	6.6
153.07098	4.5
154.07751	6.4
155.08540	35.7
156.09302	15.9
157.10129	63.2
158.10776	2.8
159.08058	6.3
159.11696	47.9
160.12149	2.8
161.09650	16.8
161.13228	13.2
163.11217	9.5
163.14809	4.2
165.06998	7.7
166.07703	5.3
167.08627	15.0
168.09340	8.0
169.10127	43.7
170.10902	6.9
171.08022	5.1
171.11705	36.8
173.09595	9.7
173.13251	25.0
175.11232	9.3
175.14830	6.9
177.12830	3.6
178.07794	4.2
179.08585	10.3
179.10588	2.8
180.09343	11.0
181.10120	29.1
182.10886	13.1
183.08075	4.0
183.11688	51.2
184.12262	6.9
185.09607	4.9
185.13275	37.3
186.13940	3.1
187.11249	9.5
187.14839	11.9
189.12756	11.9
191.10617	4.4
191.14268	3.2
192.09172	3.2
193.10135	12.1
194.10869	8.3
195.07964	4.2
195.11685	35.0
196.12379	9.3
197.09528	5.3
197.13251	44.1
198.13892	5.6
199.11243	8.0
199.14868	21.5
201.12740	6.5
201.16389	8.4
203.14442	3.1
205.10127	5.7
206.10971	8.8
207.11711	15.4
208.12483	8.1
209.09715	4.3
209.13266	31.5
210.13991	5.4
211.11232	7.3
211.14772	25.5
213.12770	11.9
213.16376	14.9
215.14339	8.5
217.15910	5.8
219.11829	3.4
220.12292	3.2
221.13292	13.6
222.13882	6.3
223.11316	7.1
223.14778	29.8
224.15402	4.9
225.09288	4.5
225.12747	10.1
225.16273	15.9
227.14334	6.8
229.12289	3.3
229.15903	4.6
231.13756	5.7
233.13260	3.4
235.11284	3.1
235.14752	9.2
236.15567	7.1
237.12698	3.7
237.16301	15.5
239.11043	3.2
239.14201	6.6
239.17900	33.9
241.12206	8.3
241.15889	8.4
241.19560	5.4
243.13695	7.5
243.17485	8.8
246.14014	3.1
247.14801	3.6
249.16579	4.9
251.17972	15.3
253.15877	5.0
253.19586	9.8
255.13768	5.0
255.17448	6.7
257.15445	7.4
257.18991	4.5
261.16373	6.0
263.14410	3.0
263.17868	6.0
265.15875	6.5
265.19543	7.0
267.06622	5.2
267.21088	5.3
269.18774	3.7
277.15799	5.8
277.19305	4.7
278.20026	3.6
279.17474	11.6
279.21075	19.5
280.21884	4.8
281.15137	5.1
281.19046	5.3
281.22049	3.3
294.08786	3.6
295.16870	9.2
295.20184	3.2
297.18494	27.0
297.22070	28.4
305.07999	3.9
305.19034	4.1
322.08463	4.3
323.08975	3.6
323.20117	18.7
323.23627	5.0
324.20313	6.2
337.10645	14.3
355.11676	4.7
359.12476	4.1
373.25128	3.4
379.26352	61.8
380.26669	9.0
391.26294	23.8
393.27872	6.2
401.24792	9.6
407.29416	13.6
419.24722	37.2
419.29562	34.6
420.30408	3.9
437.15887	15.8
437.30942	100.0
438.30673	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	22.6
57.07082	10.1
59.05000	4.9
66.93070	4.9
67.05512	27.1
69.07067	14.4
71.29910	6.6
74.06429	4.5
79.05508	16.0
79.71941	5.1
81.07048	29.7
83.04989	26.1
83.08608	11.7
89.06036	9.9
91.05485	28.7
93.07046	46.0
95.04956	8.9
95.08609	62.1
97.06520	5.7
98.23114	5.6
105.07034	46.2
107.08612	35.1
109.06477	5.1
109.10165	33.0
111.04453	10.5
111.08098	16.1
117.07053	5.5
119.08585	53.0
121.10179	25.7
123.08084	7.7
123.11697	13.5
124.79698	4.7
125.09660	6.4
129.06973	8.2
131.08597	20.2
133.08606	7.9
133.10127	28.2
135.08078	6.4
135.11710	11.6
139.07542	11.1
141.06926	5.6
142.07768	7.7
143.08533	26.5
145.10133	26.2
147.07982	6.5
147.11674	24.8
148.59270	4.8
155.08566	11.6
156.09419	5.8
156.66389	4.6
157.10095	28.4
159.11681	25.9
161.09663	9.4
161.13245	15.2
163.11215	8.4
167.08525	6.9
169.10146	14.6
171.11696	21.6
173.13242	13.6
175.11232	5.2
175.14828	19.9
181.10150	11.5
182.10825	7.6
183.11714	21.2
185.13301	9.8
187.11188	6.0
187.14844	8.5
193.10236	6.2
194.10957	7.2
195.11653	16.2
197.13223	19.0
199.14809	16.8
201.16486	11.9
206.10838	6.9
207.11725	12.0
208.12413	7.4
209.13261	15.5
211.14792	13.1
213.16510	11.7
215.17929	5.9
217.15857	7.4
219.11859	6.1
221.13193	12.9
223.14777	13.1
225.12833	6.1
225.16376	11.8
229.19469	4.8
235.14830	11.4
237.16342	14.0
239.14745	11.9
239.17841	6.1
247.23035	5.1
249.16383	9.0
251.17921	13.0
263.17960	11.9
265.19626	6.9
270.04425	4.7
277.19534	12.7
279.21185	15.3
297.18393	25.2
305.22586	8.5
320.24921	12.4
401.24371	6.1
419.29498	100.0
419.34628	5.7
420.29721	14.7
437.30038	17.8
437.34296	18.8
454.50034	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	16.3
57.07077	6.3
59.05000	2.4
63.68568	2.3
65.03940	5.1
67.05510	49.1
69.07063	16.6
71.05000	2.9
71.08620	2.2
79.05493	19.0
81.07059	51.9
83.04993	4.7
83.08630	17.7
91.05476	34.0
92.05803	2.5
93.07044	52.3
95.04960	8.8
95.08609	94.5
97.06528	7.5
97.10155	5.9
99.82105	2.4
105.07027	55.0
107.08598	59.2
109.06491	6.6
109.10159	57.8
111.08086	11.3
117.07023	12.8
119.07767	5.0
119.08583	69.4
121.06515	7.7
121.10148	43.6
122.10498	2.4
123.08069	12.7
123.11744	17.4
125.09631	7.4
128.06245	5.7
129.07039	6.6
131.08577	31.5
133.10127	61.9
135.08064	5.1
135.11696	33.1
137.09630	10.3
139.07571	4.0
141.06978	4.3
141.09105	5.7
142.07803	9.3
143.08578	17.9
144.09415	4.0
145.10124	48.8
147.08060	4.5
147.11690	50.4
149.13213	12.8
155.08583	8.4
156.09363	6.3
157.10124	23.8
158.10902	3.0
159.11693	52.2
161.09633	10.0
161.13266	38.0
163.11205	7.4
163.14842	6.5
167.08650	2.6
168.09464	2.6
169.10130	10.2
171.11658	20.1
172.12428	3.9
173.09526	3.9
173.13257	40.2
174.46529	2.5
175.11235	5.2
175.14841	17.2
177.16434	6.1
180.09355	3.0
181.10176	5.9
183.11658	10.0
184.12418	3.0
185.13257	15.1
187.11179	4.8
187.14821	30.2
189.12747	7.7
189.16350	22.0
191.14336	4.0
191.17921	3.4
193.10104	3.1
195.11703	8.1
197.13226	9.0
199.11198	3.3
199.14870	16.2
201.12737	2.7
201.16405	38.7
202.16684	4.2
203.17964	32.6
205.15932	3.8
207.11804	3.5
208.12424	3.7
209.13225	7.0
211.14836	7.5
213.12820	3.9
213.16428	13.4
215.14368	4.9
215.17888	16.7
216.81470	2.9
217.15891	10.7
217.19572	4.4
219.17433	6.0
223.14832	11.4
225.12648	2.8
225.16370	13.5
227.17963	8.2
229.15901	5.5
229.19511	3.8
231.17485	8.5
233.15334	2.8
235.17015	4.1
237.16374	4.7
239.17860	5.0
241.15895	8.4
241.19601	5.7
243.17471	3.2
243.21143	2.9
247.16933	4.6
251.17966	4.7
253.19554	3.4
255.17537	3.4
255.21178	6.1
257.18848	3.4
263.17862	3.2
279.20981	12.8
297.22061	7.7
297.25497	3.6
313.25146	5.3
322.39200	2.5
339.26779	3.9
363.23126	3.9
381.24191	8.1
393.27966	4.9
395.29443	3.0
419.28824	22.7
419.33478	8.6
420.29477	2.8
437.29318	15.2
437.34909	100.0
438.35339	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85083	1.2
53.03931	2.0
53.62360	1.3
54.77822	1.2
55.05504	8.4
57.07073	3.5
59.04972	1.3
60.81324	1.3
64.03503	1.4
67.05499	15.6
69.07072	9.7
70.01220	5.1
77.72449	1.3
79.05494	7.0
81.07064	16.0
83.04984	6.2
83.08619	3.0
85.06522	1.7
88.50642	1.2
89.06813	1.2
91.05481	12.5
93.07037	23.5
95.04980	3.9
95.08610	37.5
96.51454	1.6
97.06523	3.6
97.10178	1.9
99.08158	1.7
105.07033	24.7
106.07346	1.4
107.08595	21.2
109.06519	5.5
109.10155	14.0
111.04429	4.6
111.08070	5.8
112.82992	1.4
115.05449	2.3
117.07011	9.6
119.08587	19.1
120.08887	2.6
121.06493	3.4
121.10138	18.8
123.08083	15.8
123.11717	6.8
125.06063	1.5
125.09618	7.5
128.06207	3.0
129.07016	7.9
130.07849	1.8
131.08583	12.9
133.10123	18.1
135.08101	3.6
135.11691	8.5
137.09608	8.0
137.13245	2.0
139.07507	2.2
139.11232	3.1
141.06981	4.5
141.09149	2.1
142.07800	8.8
142.08925	1.6
143.08569	22.1
144.09297	2.4
145.10124	21.2
147.08076	3.3
147.11710	12.2
149.09608	2.5
149.13205	4.3
151.11209	2.6
153.12808	2.0
155.08580	10.6
156.09320	6.5
157.10130	26.0
158.10495	1.9
159.11687	24.6
160.12105	2.1
161.09592	4.2
161.13258	5.1
163.11128	1.6
165.07042	2.5
166.07709	2.0
167.08556	4.6
168.09372	2.0
169.10147	15.6
170.10849	2.5
171.11691	26.1
172.12189	1.5
173.09689	1.6
173.13269	14.3
175.11195	3.5
175.14891	2.7
177.12827	3.0
179.08626	2.4
180.09213	2.0
181.10081	9.7
182.10919	3.2
183.11670	13.8
184.12125	1.5
185.09677	3.4
185.13277	13.5
187.11162	2.4
187.14772	4.1
189.12766	5.2
189.16472	1.8
193.10164	5.6
194.10851	3.4
195.11731	10.6
196.12491	2.7
197.13260	13.7
198.13867	2.6
199.11098	2.3
199.14853	9.8
201.16365	3.7
203.14360	1.8
206.10689	1.5
207.11723	5.0
209.13228	12.1
210.13971	4.4
211.11253	2.1
211.14827	9.2
213.12767	3.8
213.16393	5.6
217.15796	1.8
220.12439	1.5
221.13211	5.5
222.13972	1.9
223.14827	9.9
224.15619	1.5
225.16249	8.9
227.14299	3.5
227.17958	4.1
228.32190	1.4
229.15936	2.6
235.14864	2.9
237.16394	5.6
239.14206	1.8
239.17934	6.1
241.15982	8.0
241.19464	2.5
242.16582	4.0
243.17488	7.1
249.16455	4.1
251.17883	5.0
253.15776	3.5
253.19608	4.8
255.17416	5.5
255.21028	4.0
257.18954	7.8
263.17929	2.9
267.17392	3.0
269.18848	1.8
277.19403	2.2
279.21140	13.2
280.21646	1.5
281.18860	1.7
295.20593	2.7
296.21411	1.7
297.14838	1.8
297.18695	2.9
297.22153	17.4
298.22623	2.3
299.20233	2.0
305.22559	2.0
309.22009	2.4
323.23676	4.6
338.25952	3.4
363.23441	2.0
379.11887	2.2
379.26236	5.1
391.30023	2.2
393.28070	2.0
395.24557	1.5
395.29440	5.7
396.29910	1.6
401.28293	2.9
419.29456	46.5
420.29654	4.8
437.25714	5.4
437.30450	100.0
438.15073	2.6
438.30957	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3049
Annotation	Isoiguesterol
Peak:m/z	Relative Intensity
53.03944	4.5
55.01875	2.0
55.05511	22.3
57.07070	5.3
59.04992	1.9
63.10520	1.4
65.03938	3.7
66.73884	1.3
67.05504	39.2
69.03429	4.7
69.07063	20.9
71.04993	5.2
71.31673	2.2
77.48335	1.2
79.05491	22.0
79.05914	2.3
81.07057	36.2
82.93780	1.3
83.04978	15.7
83.08612	12.9
85.06538	2.9
91.05482	35.3
93.07039	50.3
95.04964	9.6
95.08605	81.9
96.08911	2.4
97.06524	6.3
97.07063	1.3
97.10162	4.9
99.04433	3.3
99.08083	1.6
103.05489	3.2
105.07027	57.9
107.08594	42.4
108.08864	1.6
109.06522	14.4
109.10156	27.0
111.04415	9.1
111.08080	16.5
113.06018	3.0
115.05435	5.0
117.06995	15.9
119.08580	54.0
120.08881	2.2
120.81512	1.4
121.06509	8.4
121.10143	33.8
122.10512	1.7
123.08083	22.3
123.11713	8.4
125.05968	1.8
125.09657	10.7
127.07600	1.9
128.06175	7.0
129.07025	14.0
130.07779	4.5
131.08569	37.0
132.08875	2.3
133.06458	2.2
133.10127	34.7
135.08037	11.2
135.11691	18.6
137.05986	1.9
137.09612	100.0
137.13199	1.7
138.09901	3.2
139.07556	9.7
139.11183	9.7
141.06955	9.1
141.09103	8.8
142.07768	15.0
143.08563	32.9
144.09233	6.0
145.10120	49.4
146.07317	1.9
146.10617	1.5
147.08043	8.1
147.11681	22.2
149.09642	8.1
149.13248	3.8
151.11206	6.2
153.07063	3.9
153.12787	2.1
154.07816	4.3
155.08566	20.4
156.09363	12.2
157.10130	47.9
158.10747	5.4
159.08052	7.1
159.11697	48.1
160.08830	2.1
160.12250	2.6
161.09602	22.5
161.13269	12.6
163.11186	7.3
163.14796	2.4
165.06985	9.3
165.12729	1.6
166.07742	2.9
167.08556	14.2
168.09398	9.5
169.10127	42.2
170.10876	8.2
171.08093	3.1
171.11688	39.4
172.08804	2.4
172.12335	4.2
173.09624	12.3
173.13254	42.3
174.13680	2.3
175.11166	8.4
175.14816	7.5
177.09036	2.1
177.12755	3.1
178.07729	1.9
179.08519	7.6
179.10574	6.6
179.14233	1.5
180.09355	6.9
181.10107	35.9
182.10876	11.0
183.11679	49.7
184.12415	5.7
185.09682	7.4
185.13255	22.3
186.13934	2.0
187.11201	11.8
187.14804	9.8
189.12743	11.4
191.10660	10.4
191.14375	3.1
192.09315	1.5
193.10167	11.7
194.10869	7.5
195.11684	47.4
196.12323	10.0
197.09605	3.4
197.13258	40.6
198.13873	4.9
199.11252	11.1
199.14838	18.3
200.11888	3.8
201.12746	6.9
201.16322	7.4
203.14320	2.7
205.12233	3.4
206.10945	3.8
207.11711	16.5
207.13614	3.0
208.12456	11.2
209.13231	38.0
210.13774	6.9
211.11333	6.6
211.14804	18.6
212.15355	3.0
213.12869	9.5
213.16338	13.5
214.17046	1.9
215.14246	3.6
215.18031	2.7
217.12244	1.9
217.15880	4.5
219.11647	3.3
220.12453	4.3
221.13269	15.5
222.13976	11.0
223.11192	5.1
223.14798	38.8
224.12018	1.7
224.15378	5.3
225.12929	7.2
225.16364	17.5
227.10735	3.0
227.14374	6.8
227.17940	6.2
229.12241	3.4
229.15799	3.7
231.13834	3.2
231.17368	3.1
233.13187	5.0
234.13892	3.0
235.14803	18.3
236.15404	5.3
237.12682	4.0
237.16357	41.7
238.16873	6.5
239.14294	7.2
239.17957	13.1
240.14717	1.9
240.18362	3.1
241.12279	14.6
241.15976	11.9
241.19484	4.3
242.12927	2.7
243.13770	13.7
243.17485	6.0
244.14270	1.8
245.15242	1.9
246.13882	2.0
247.14728	3.8
249.16385	8.4
250.17000	1.8
251.14284	3.3
251.17934	15.2
252.18370	2.7
253.15773	5.1
253.19563	10.5
254.20068	2.6
255.13904	6.5
255.17438	6.9
255.21011	3.2
257.15363	9.2
257.19009	6.5
259.20471	2.3
261.16412	5.4
263.14450	2.4
263.17902	6.1
264.18430	3.0
265.16205	3.0
265.19449	6.9
267.13602	2.2
267.17453	3.1
269.15485	7.7
269.18958	5.1
269.22464	3.8
271.16788	1.9
275.14233	1.6
275.17911	1.7
277.15747	4.7
277.19519	3.6
278.20129	1.9
279.17407	8.2
279.21039	27.5
281.15497	3.4
281.19006	3.7
281.22562	4.0
282.19565	2.1
283.16974	4.7
289.19559	2.3
291.20889	1.5
293.15329	1.9
295.16934	4.5
295.20166	2.2
296.21091	2.4
297.18463	32.6
297.22119	18.8
298.18967	3.7
298.22363	2.9
299.20056	10.2
305.18936	4.4
305.22354	1.9
307.17029	1.9
309.21973	2.1
311.20081	2.4
313.21689	12.1
314.22165	1.9
317.22699	1.6
320.25064	3.9
321.18567	2.2
323.19974	4.0
323.23563	3.9
335.20044	2.1
337.21359	2.2
338.22189	3.1
345.21890	2.3
351.23038	2.1
359.23663	2.4
363.23264	10.9
367.26608	2.1
373.25229	2.7
377.24625	8.7
379.26239	5.4
391.26178	4.3
391.30478	2.3
393.27957	6.8
395.29663	2.9
401.24271	9.0
409.30963	6.0
419.29721	55.3
420.29770	5.7
437.26566	95.1
437.30820	74.5
438.26941	11.0
438.31226	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.1
53.03958	1.4
55.01883	1.0
55.05505	9.2
57.07072	2.3
58.72682	0.9
59.05009	0.8
64.87629	0.8
65.03948	1.7
67.05505	15.7
69.03437	1.4
69.07069	7.2
71.04994	2.5
71.30001	1.2
73.74217	0.9
79.05498	8.6
81.07052	16.3
83.04980	7.4
83.08630	2.9
85.06551	1.4
89.45185	0.9
91.05486	12.2
93.07047	19.3
94.07365	1.3
95.04974	4.8
95.08607	31.5
97.06539	2.1
97.10157	2.1
99.31239	0.8
100.56342	1.0
103.05449	1.4
105.07032	21.9
106.07375	1.0
107.04977	1.0
107.08585	20.6
107.09276	1.2
109.06477	4.3
109.10153	14.6
111.04467	2.8
111.08083	6.5
112.47263	0.8
113.05993	1.0
115.05495	1.6
117.07001	6.3
118.07940	1.0
119.08576	20.6
120.08949	1.3
121.06532	1.9
121.10131	17.0
123.08059	10.6
123.11726	3.4
125.09626	10.7
128.06245	3.8
129.07018	6.9
130.07805	1.5
130.83800	0.8
131.08569	15.7
133.06503	1.9
133.10126	14.3
135.08063	2.7
135.11728	6.6
137.05959	2.0
137.09604	6.2
138.34734	0.9
139.07545	2.2
139.11162	1.2
141.07007	4.2
141.09106	2.8
142.07800	3.8
143.08553	16.9
144.09322	2.4
145.10118	20.4
147.08092	3.3
147.11682	8.7
149.09683	1.5
149.13297	3.0
151.11148	2.0
153.07117	1.5
154.07753	1.7
155.08530	10.8
156.09351	4.3
157.10127	19.7
158.10797	1.0
159.08049	2.7
159.11688	20.1
161.09590	6.5
161.13264	5.1
163.11183	1.8
163.14861	1.5
165.07034	2.7
166.07782	1.3
167.08638	3.8
168.09372	2.1
169.10132	14.1
170.10858	3.7
171.08025	2.0
171.11696	14.1
172.12369	2.0
173.09712	2.0
173.13251	10.7
175.11176	3.4
175.14885	3.2
177.12741	1.7
179.08601	3.0
179.10744	1.2
180.09377	2.6
181.10110	9.0
182.10933	2.8
183.08080	1.2
183.11671	14.5
184.12492	1.3
185.09700	2.0
185.13252	13.3
187.11180	3.2
187.14801	4.9
189.12769	4.2
189.16452	2.2
191.10666	1.2
191.14317	1.5
193.10135	4.5
194.10919	2.7
195.08102	1.8
195.11702	11.6
196.12425	2.0
197.09604	3.0
197.13257	13.4
198.10657	0.9
198.13939	2.7
199.11230	3.2
199.14818	9.0
201.12808	2.1
201.16454	4.1
203.14342	1.3
205.10178	1.5
205.12015	1.1
206.10896	1.6
207.11694	4.8
207.13690	0.9
208.12505	3.0
209.09702	2.5
209.13277	11.4
210.14064	2.9
211.11232	2.4
211.14819	8.5
212.15776	1.3
213.12817	3.1
213.16348	4.3
215.14397	1.8
217.10208	1.3
217.16002	1.6
218.10851	1.4
219.11716	2.3
220.12471	1.0
221.09517	1.1
221.13290	4.0
222.13959	1.9
223.11212	2.2
223.14792	8.9
224.15524	2.4
225.09229	1.6
225.12784	3.1
225.16345	5.6
226.17052	1.3
227.14223	2.1
227.18007	2.3
229.15862	2.3
232.12462	0.9
233.09700	1.0
233.13362	2.5
235.11223	1.5
235.14828	3.1
237.12781	2.5
237.16322	4.7
238.13451	1.1
238.17186	1.3
239.14285	2.4
239.17982	8.0
241.15880	4.1
241.19553	2.2
242.16524	1.3
243.17450	2.0
247.14746	1.5
249.16473	3.5
251.14398	2.1
251.17856	4.6
253.15929	1.9
253.19547	2.8
255.17473	2.4
255.21184	3.3
257.19037	3.5
261.16397	1.6
263.14404	1.1
263.17902	1.3
265.15933	1.3
265.19586	2.8
266.20120	1.1
269.19049	1.5
277.15982	1.2
277.19604	1.4
279.14154	1.2
279.17499	2.6
279.21112	11.8
280.21649	2.1
281.18982	2.3
281.22449	2.1
293.19070	1.4
293.22641	1.2
295.20609	1.8
297.18518	4.1
297.22202	9.2
299.20062	1.4
320.25128	1.4
323.23676	1.7
325.21637	1.1
379.26389	9.2
393.28427	1.0
395.29520	3.9
401.20554	1.3
401.28857	1.5
419.22324	4.3
419.29578	41.6
420.29819	3.0
437.12619	5.5
437.24069	4.4
437.30545	100.0
438.30936	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3051
Annotation	Isoiguesterol
Peak:m/z	Relative Intensity
53.03939	1.5
55.05512	5.1
57.07068	1.6
59.34991	0.7
66.31268	0.8
67.05501	8.9
69.07056	3.3
69.39587	5.4
71.04987	1.3
79.05498	5.2
81.07053	9.5
83.04986	4.0
83.08620	2.5
91.05484	7.9
92.05807	0.8
93.07039	12.2
95.04967	2.3
95.08609	21.8
97.06557	1.5
99.08131	1.3
105.07037	13.7
107.08598	14.4
109.06499	3.3
109.10162	9.5
111.04459	2.7
111.08096	3.0
113.05982	1.7
115.05469	1.7
117.07002	4.2
119.08577	13.8
121.06523	1.3
121.10143	14.3
123.08070	7.9
123.11708	3.0
125.06096	0.8
125.09629	10.7
128.06235	2.2
129.07024	3.6
130.07742	1.2
131.08586	11.9
133.10123	9.4
133.65761	0.8
135.08089	1.9
135.11664	4.5
137.09610	5.4
139.07578	1.6
141.07011	2.7
141.09122	1.4
142.07848	3.9
142.08810	0.9
143.08562	12.4
145.10123	11.9
147.08104	2.1
147.11685	8.6
149.09644	1.4
149.13271	1.5
151.11179	1.7
153.06976	1.0
154.07639	0.7
155.08545	6.1
156.09351	2.8
157.10130	16.8
158.10815	1.5
159.11694	14.6
161.09657	3.8
161.13281	3.9
163.11128	1.7
167.08539	1.8
168.09293	0.9
169.10120	9.3
170.10886	2.5
171.11687	11.6
173.09705	1.4
173.13248	8.8
175.11197	2.9
175.14842	2.3
177.12738	1.6
179.08516	1.1
181.10156	4.2
182.10966	1.7
183.11690	10.8
184.12437	1.1
185.09666	1.5
185.13264	10.5
187.11188	2.5
187.14830	3.7
189.12819	2.2
191.10719	1.1
191.14273	1.0
193.10191	2.3
194.10826	1.8
195.11679	6.7
196.12451	1.7
197.13263	9.4
198.13882	1.3
199.11205	2.0
199.14789	7.4
200.15486	1.4
201.12737	1.2
201.16434	2.3
203.14334	2.1
207.11734	2.0
208.12563	1.1
209.09903	0.8
209.13249	7.5
210.13968	1.9
211.14807	7.0
212.15381	0.9
213.12804	1.4
213.16405	3.5
215.14319	1.1
217.15886	1.1
221.13306	1.8
222.13911	0.8
223.14804	7.6
224.15318	1.0
225.16385	6.6
226.16914	1.3
227.14235	1.4
227.17897	1.6
229.15906	1.3
235.14885	3.2
237.16339	4.1
239.14317	1.1
239.17924	6.7
241.15927	4.5
241.19528	2.2
242.16559	1.5
243.17448	2.4
247.14833	1.1
249.16379	2.1
251.14436	1.2
251.17987	3.2
253.19496	3.2
255.17651	1.1
255.21120	2.1
257.19037	3.8
259.20566	0.8
261.16422	1.1
263.18030	1.5
264.18530	1.1
265.19516	2.2
277.19705	1.0
278.20322	0.8
279.21039	10.3
280.17703	0.9
280.21561	1.5
281.19281	1.9
281.22571	1.3
283.20651	2.0
291.20966	0.9
293.19073	1.0
295.20761	1.1
297.18777	1.7
297.22073	9.9
298.22589	1.0
298.63022	0.9
299.19907	1.5
305.22729	1.8
311.20013	1.4
323.23694	2.0
325.21832	1.0
349.21524	1.1
351.23303	1.0
361.25510	1.0
379.26346	5.8
395.29538	2.8
419.29489	38.4
420.29739	3.5
437.30539	100.0
438.30832	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.5
55.05511	27.4
56.05391	2.3
57.03426	3.2
57.07068	4.6
65.03948	5.3
65.08929	2.7
67.05505	33.1
69.03428	6.8
69.07065	19.0
71.04994	3.5
71.30363	3.9
79.05488	21.4
81.07047	44.0
82.07366	2.9
83.04992	27.6
83.08601	7.1
85.06532	3.7
91.05479	29.5
91.43948	2.6
93.07045	59.5
94.07377	2.6
95.04958	12.1
95.08605	81.3
96.08977	3.6
97.06516	8.8
97.10136	2.7
105.03400	15.4
105.04515	4.0
105.07028	56.7
107.08596	53.8
107.26258	2.7
109.06511	9.8
109.10150	29.9
111.04434	14.6
111.08067	21.6
113.05976	4.0
115.67867	2.4
117.07026	12.9
119.07779	4.4
119.08582	52.9
120.08955	4.0
121.06507	9.8
121.10136	39.4
122.10445	2.9
123.08066	26.8
123.10886	2.6
123.11703	11.4
124.08463	3.3
125.09637	15.4
127.72271	2.8
128.06215	8.2
129.06990	10.2
129.20859	2.5
131.08559	36.9
133.06525	3.4
133.10117	38.5
135.08034	8.2
135.11676	17.6
137.09616	11.0
137.13283	4.1
139.07530	11.3
139.75748	2.5
141.06967	8.0
141.09146	8.6
142.07782	12.0
143.08560	36.3
144.09248	4.3
145.10112	60.6
147.08032	10.1
147.11681	38.1
149.13210	6.7
151.11179	4.6
153.06903	3.6
154.07678	2.9
155.08574	16.9
156.09363	16.2
157.10114	57.2
157.11420	3.9
158.10869	3.6
159.08067	7.5
159.11705	43.3
161.09621	14.8
161.13261	15.5
163.11145	6.3
165.06963	6.8
167.08591	10.2
168.09328	10.5
169.10138	47.3
170.10880	12.6
171.11697	47.1
173.09604	19.7
173.13245	20.9
174.13791	3.1
175.11212	9.0
175.14828	6.3
177.09131	3.2
179.08591	10.3
179.10558	5.6
180.09335	9.6
181.10092	24.7
182.10884	11.3
183.11681	58.2
184.12387	8.5
185.09619	5.9
185.13260	25.4
187.11168	13.1
187.14795	5.9
189.12750	12.5
189.16403	4.5
191.10616	16.3
191.14371	4.2
191.77628	3.0
193.10112	11.6
194.10876	7.9
195.11681	34.4
195.13448	4.6
196.12384	10.0
197.13239	40.1
199.11215	7.0
199.14801	19.2
201.12813	6.9
201.16336	9.4
203.14357	3.7
205.10172	3.4
205.12227	4.2
206.10918	5.7
207.11693	16.0
207.13683	4.7
208.12421	9.8
209.13217	42.2
210.13866	9.4
211.11250	4.5
211.14850	24.4
212.15417	3.4
213.12778	10.1
213.16336	14.3
215.14290	4.9
219.11743	4.6
220.12462	6.3
221.13266	24.8
222.13890	13.3
223.11195	6.2
223.14749	31.1
224.15367	7.9
225.12752	12.5
225.16255	13.9
227.10567	3.0
227.14394	4.5
229.12341	4.0
231.13808	6.1
233.13266	9.3
234.14087	4.2
235.14806	21.6
236.15457	4.2
237.12761	6.3
237.16359	43.6
237.18517	4.9
238.16962	3.1
239.14400	9.4
239.17923	13.8
241.12297	12.7
241.15932	7.6
241.19533	4.5
242.16466	3.1
243.13814	25.1
243.17484	5.1
245.15552	4.4
247.14810	4.9
248.15623	3.7
249.12660	5.1
249.16428	8.4
250.16919	3.2
251.14270	5.4
251.18024	17.7
253.19429	7.2
254.20158	3.2
255.13843	7.6
255.17491	4.2
255.20993	5.7
257.15408	14.0
257.18857	7.4
259.14499	3.2
261.16339	11.7
263.14301	5.0
263.17990	6.5
264.18329	3.3
265.15878	4.9
265.19443	3.6
267.17526	4.7
267.20938	3.5
269.15414	7.4
269.22498	4.6
277.15903	6.6
277.19397	9.2
279.17468	12.0
279.21054	21.7
280.21811	3.6
281.15625	3.9
281.18906	5.3
281.22467	5.2
283.16998	4.6
291.21179	4.7
295.16824	4.1
295.20355	4.1
297.18475	46.3
297.22095	17.1
299.20023	5.7
303.17529	4.1
305.19031	7.0
305.22537	5.2
309.22144	6.1
320.24933	6.5
321.18326	5.1
323.20026	3.7
339.08685	5.3
363.23044	5.0
373.25153	6.3
377.24734	7.2
379.26324	8.9
383.23465	3.4
391.26230	13.0
395.29349	3.5
401.24335	16.6
402.24997	5.2
419.25452	16.2
419.29993	73.1
420.29684	9.1
437.26352	73.1
437.30637	100.0
438.26331	7.5
438.30951	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3052
Annotation	Isoiguesterol
Peak:m/z	Relative Intensity
51.02393	0.5
53.03939	1.1
55.05508	7.7
57.03456	0.8
57.07083	1.5
65.03951	1.2
67.05505	9.8
67.99842	0.5
69.03436	1.4
69.07071	5.5
71.05000	1.6
71.08627	0.5
71.30514	0.9
79.05497	5.9
81.07056	10.9
83.04986	8.2
83.08614	2.6
91.05479	8.4
93.07046	15.2
95.04977	2.7
95.08606	22.2
96.08957	0.6
97.06540	1.8
97.10180	1.2
98.05775	0.5
99.04477	0.7
99.08076	0.7
103.05470	0.6
105.07027	15.3
107.08591	15.1
107.09278	0.9
109.06538	2.3
109.10160	10.1
111.04450	3.8
111.08091	4.5
113.05997	1.3
115.05410	1.1
117.07036	4.5
119.06054	0.5
119.08579	17.3
121.06505	1.5
121.10143	14.0
123.08060	9.9
123.11727	3.5
125.09623	10.4
128.06219	2.7
129.07002	4.6
130.07803	1.6
131.08566	10.8
133.10127	12.2
133.11050	0.9
134.10497	0.5
135.08096	2.1
135.11681	6.0
135.12546	0.6
137.06020	0.8
137.09610	6.6
137.13210	0.7
139.07573	1.9
139.11180	1.2
141.06993	2.4
141.09145	2.1
142.07797	4.4
143.08563	14.6
144.09406	1.4
145.10110	16.0
146.07301	0.6
147.08032	2.5
147.11682	7.1
148.12207	0.6
149.09648	1.7
149.13287	2.1
151.11229	2.2
153.07045	0.7
153.12888	0.5
154.07809	0.7
155.08539	8.4
156.09349	4.5
157.10130	17.3
158.10773	2.1
159.08064	1.6
159.11688	15.9
160.08907	0.8
160.12123	0.9
161.09622	4.5
161.13240	4.3
163.11224	1.6
163.14851	1.0
165.07089	1.0
166.07854	1.0
167.08623	2.3
168.09364	1.9
169.10123	11.8
170.10954	3.0
171.11685	16.3
172.12300	1.5
173.09636	1.6
173.13255	7.8
174.13817	0.6
175.11227	1.8
175.14833	1.8
177.12822	1.5
179.08594	2.0
180.09410	1.6
180.60271	0.6
181.10129	6.8
182.10941	2.1
183.11682	11.6
183.13133	1.0
184.12508	1.7
185.09695	1.2
185.13263	11.1
186.13881	1.1
187.11182	2.8
187.14815	4.4
189.12762	3.8
189.16360	0.9
191.10635	2.5
191.14404	1.3
193.10138	2.8
194.10904	2.6
195.11674	9.2
196.12373	2.9
197.13255	10.6
198.13972	1.9
199.11209	2.4
199.14818	8.4
200.15547	1.1
201.12801	2.3
201.16446	2.4
203.14256	1.1
205.10280	0.6
205.12184	1.3
206.10973	1.0
207.11775	3.9
207.13774	1.1
208.12515	2.2
209.13229	9.0
210.10315	0.5
210.14093	2.4
211.11189	0.9
211.14810	8.9
212.15381	1.4
213.12779	1.4
213.16336	3.8
215.14391	1.4
215.18033	0.8
217.15967	1.7
219.11816	0.6
219.13838	0.7
220.12442	1.2
221.13272	3.6
222.14044	2.1
223.11235	0.9
223.14821	7.8
224.15475	1.4
225.12830	1.5
225.16396	6.7
226.17184	1.1
227.14378	2.3
227.17969	2.7
229.15927	2.0
231.17441	1.3
233.13255	1.3
235.14828	2.7
236.15596	1.4
237.12852	0.9
237.16385	6.5
238.16968	0.9
239.14250	1.4
239.17924	8.1
241.15930	5.0
241.19583	1.8
242.16553	1.2
243.13876	0.7
243.17484	1.9
245.15411	0.7
247.14799	0.9
248.15732	0.7
249.16347	2.7
250.17102	0.8
251.14279	1.0
251.17973	3.7
252.18819	0.6
253.16039	0.9
253.19569	2.3
254.20354	0.7
255.17412	1.8
255.21124	2.1
257.15265	0.9
257.18994	3.1
261.16409	1.1
263.18066	2.2
264.18768	0.7
265.15942	1.0
265.19543	2.2
267.17603	0.9
267.21118	1.7
269.19025	1.5
271.17068	1.0
277.19580	1.6
278.20294	1.2
279.17609	1.8
279.21027	12.5
280.21774	1.7
281.18967	1.8
281.22702	1.8
283.20743	0.8
291.21036	1.0
293.19067	0.7
293.22510	0.7
295.17270	1.0
295.20721	1.5
296.21426	0.7
297.18573	3.9
297.22180	9.4
298.22537	1.1
299.20056	1.8
305.19272	0.9
305.22736	1.4
307.20578	0.6
309.22211	2.1
311.20029	1.2
315.86621	0.5
319.24167	0.7
320.25201	1.4
321.22406	0.6
323.20325	1.0
323.23715	1.7
325.21521	1.1
337.21469	0.6
338.22366	0.6
338.26181	0.8
345.22253	0.6
345.26013	0.7
349.21756	1.0
351.23132	0.6
359.23700	1.2
363.23087	1.0
365.25171	0.5
377.24786	2.1
379.26328	8.9
380.26736	1.2
391.25903	1.1
391.30215	1.1
393.27921	1.8
394.84427	0.5
395.29419	3.2
401.24454	1.2
401.28989	1.2
419.29590	36.4
420.29922	4.4
437.30579	100.0
438.30966	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3052
Annotation	Isoiguesterol
Peak:m/z	Relative Intensity
51.02382	1.1
53.03958	1.4
55.01883	1.0
55.05505	9.2
57.07072	2.3
58.72682	0.9
59.05009	0.8
64.87629	0.8
65.03948	1.7
67.05505	15.7
69.03437	1.4
69.07069	7.2
71.04994	2.5
71.30001	1.2
73.74217	0.9
79.05498	8.6
81.07052	16.3
83.04980	7.4
83.08630	2.9
85.06551	1.4
89.45185	0.9
91.05486	12.2
93.07047	19.3
94.07365	1.3
95.04974	4.8
95.08607	31.5
97.06539	2.1
97.10157	2.1
99.31239	0.8
100.56342	1.0
103.05449	1.4
105.07032	21.9
106.07375	1.0
107.04977	1.0
107.08585	20.6
107.09276	1.2
109.06477	4.3
109.10153	14.6
111.04467	2.8
111.08083	6.5
112.47263	0.8
113.05993	1.0
115.05495	1.6
117.07001	6.3
118.07940	1.0
119.08576	20.6
120.08949	1.3
121.06532	1.9
121.10131	17.0
123.08059	10.6
123.11726	3.4
125.09626	10.7
128.06245	3.8
129.07018	6.9
130.07805	1.5
130.83800	0.8
131.08569	15.7
133.06503	1.9
133.10126	14.3
135.08063	2.7
135.11728	6.6
137.05959	2.0
137.09604	6.2
138.34734	0.9
139.07545	2.2
139.11162	1.2
141.07007	4.2
141.09106	2.8
142.07800	3.8
143.08553	16.9
144.09322	2.4
145.10118	20.4
147.08092	3.3
147.11682	8.7
149.09683	1.5
149.13297	3.0
151.11148	2.0
153.07117	1.5
154.07753	1.7
155.08530	10.8
156.09351	4.3
157.10127	19.7
158.10797	1.0
159.08049	2.7
159.11688	20.1
161.09590	6.5
161.13264	5.1
163.11183	1.8
163.14861	1.5
165.07034	2.7
166.07782	1.3
167.08638	3.8
168.09372	2.1
169.10132	14.1
170.10858	3.7
171.08025	2.0
171.11696	14.1
172.12369	2.0
173.09712	2.0
173.13251	10.7
175.11176	3.4
175.14885	3.2
177.12741	1.7
179.08601	3.0
179.10744	1.2
180.09377	2.6
181.10110	9.0
182.10933	2.8
183.08080	1.2
183.11671	14.5
184.12492	1.3
185.09700	2.0
185.13252	13.3
187.11180	3.2
187.14801	4.9
189.12769	4.2
189.16452	2.2
191.10666	1.2
191.14317	1.5
193.10135	4.5
194.10919	2.7
195.08102	1.8
195.11702	11.6
196.12425	2.0
197.09604	3.0
197.13257	13.4
198.10657	0.9
198.13939	2.7
199.11230	3.2
199.14818	9.0
201.12808	2.1
201.16454	4.1
203.14342	1.3
205.10178	1.5
205.12015	1.1
206.10896	1.6
207.11694	4.8
207.13690	0.9
208.12505	3.0
209.09702	2.5
209.13277	11.4
210.14064	2.9
211.11232	2.4
211.14819	8.5
212.15776	1.3
213.12817	3.1
213.16348	4.3
215.14397	1.8
217.10208	1.3
217.16002	1.6
218.10851	1.4
219.11716	2.3
220.12471	1.0
221.09517	1.1
221.13290	4.0
222.13959	1.9
223.11212	2.2
223.14792	8.9
224.15524	2.4
225.09229	1.6
225.12784	3.1
225.16345	5.6
226.17052	1.3
227.14223	2.1
227.18007	2.3
229.15862	2.3
232.12462	0.9
233.09700	1.0
233.13362	2.5
235.11223	1.5
235.14828	3.1
237.12781	2.5
237.16322	4.7
238.13451	1.1
238.17186	1.3
239.14285	2.4
239.17982	8.0
241.15880	4.1
241.19553	2.2
242.16524	1.3
243.17450	2.0
247.14746	1.5
249.16473	3.5
251.14398	2.1
251.17856	4.6
253.15929	1.9
253.19547	2.8
255.17473	2.4
255.21184	3.3
257.19037	3.5
261.16397	1.6
263.14404	1.1
263.17902	1.3
265.15933	1.3
265.19586	2.8
266.20120	1.1
269.19049	1.5
277.15982	1.2
277.19604	1.4
279.14154	1.2
279.17499	2.6
279.21112	11.8
280.21649	2.1
281.18982	2.3
281.22449	2.1
293.19070	1.4
293.22641	1.2
295.20609	1.8
297.18518	4.1
297.22202	9.2
299.20062	1.4
320.25128	1.4
323.23676	1.7
325.21637	1.1
379.26389	9.2
393.28427	1.0
395.29520	3.9
401.20554	1.3
401.28857	1.5
419.22324	4.3
419.29578	41.6
420.29819	3.0
437.12619	5.5
437.24069	4.4
437.30545	100.0
438.30936	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.4
55.05512	19.6
57.03431	1.8
57.07077	6.4
60.58793	2.0
65.03937	1.9
67.05509	43.7
67.05823	1.5
68.05846	1.9
69.07071	21.0
71.31473	2.8
75.04491	2.7
77.03952	1.7
79.05490	22.3
81.06586	2.9
81.07059	60.4
82.07407	2.1
83.04992	5.1
83.08608	13.1
85.06573	2.8
91.05484	27.0
93.07049	67.5
95.04945	8.4
95.08605	100.0
97.06554	2.9
97.10190	6.8
105.03395	14.2
105.07027	44.5
106.03738	4.2
106.07347	2.2
107.04984	1.6
107.08594	64.5
108.08958	2.7
109.06557	4.9
109.10156	62.7
109.50376	1.6
111.08102	10.2
111.11774	3.2
113.06081	2.2
117.07028	8.4
119.08577	48.0
121.06543	4.1
121.10143	57.3
121.11007	3.1
123.08112	7.4
123.11704	32.0
125.09655	6.2
128.06244	2.4
129.05467	1.9
129.07054	6.7
130.07823	2.5
131.08574	24.7
133.10136	45.4
134.10471	2.0
135.11694	31.1
137.09637	1.9
137.13269	12.9
139.07600	3.9
141.07059	1.9
142.07808	5.0
143.08559	17.1
143.09477	1.6
144.09357	2.3
145.10115	33.7
146.10846	2.0
147.08145	3.1
147.11687	33.8
147.12729	2.5
148.12125	1.6
149.09692	3.5
149.13277	17.0
149.42001	1.6
151.14874	2.4
153.05577	1.8
153.07234	2.8
153.09183	2.5
155.08592	4.2
156.09337	4.0
157.10115	24.4
157.11246	2.0
158.10945	3.6
159.11694	37.2
160.12469	2.8
161.09654	3.8
161.13254	20.5
163.11230	2.2
163.14864	7.5
165.09131	2.4
169.10191	7.1
171.11688	17.5
173.13266	30.3
174.13773	2.7
175.11276	2.7
175.14838	17.6
177.16385	8.2
181.12355	3.1
183.11804	7.4
184.12502	2.3
185.13272	13.0
187.14822	19.4
189.12740	3.1
189.16438	7.6
191.17970	2.4
195.11775	4.1
197.13379	7.6
199.11290	2.3
199.14801	16.9
201.16356	12.3
203.18085	6.0
205.12390	2.1
207.13737	3.1
209.13466	2.9
211.14920	6.3
213.16360	12.5
214.17146	2.4
215.18079	6.5
217.15976	2.8
217.19649	2.3
223.14989	3.4
225.16478	5.7
227.17905	11.4
228.18570	1.9
229.19574	4.1
233.15456	3.2
237.16487	2.8
239.03545	2.6
239.18089	4.9
240.03954	2.2
241.19601	6.6
243.21260	2.8
253.19698	5.4
255.21115	3.6
257.19022	3.6
257.22760	5.1
259.17053	2.9
261.18604	3.3
267.21149	3.4
269.22812	5.7
271.17004	2.2
279.21268	3.7
281.22610	2.5
283.24194	11.0
285.04095	7.4
287.20203	4.2
297.22128	2.8
297.25803	2.7
301.07184	4.1
301.21716	4.0
313.21777	5.2
315.09052	3.1
315.23181	4.6
317.06677	5.7
327.23242	4.1
338.29706	2.2
341.24838	3.0
343.26291	2.0
355.26801	3.0
367.26471	3.5
381.28165	3.3
395.29559	2.2
401.34341	7.8
419.29376	4.6
419.35034	12.0
420.34918	2.3
422.09943	17.4
423.10327	2.7
437.15521	3.8
437.30276	7.6
437.34464	87.8
438.35001	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.9
55.05513	13.0
57.07074	12.0
58.19548	2.3
59.05006	5.4
60.11145	1.9
61.76350	2.1
61.87424	1.9
65.03927	2.9
67.05504	36.7
69.07063	15.4
70.19253	5.0
70.19609	5.8
71.08640	6.0
74.45874	1.9
79.05489	22.1
81.07061	40.6
83.08637	9.4
89.06041	8.6
91.05471	24.7
91.05921	2.2
93.07045	39.5
93.50963	2.1
95.04994	6.2
95.08604	82.4
97.06551	6.3
97.10176	4.6
105.07033	48.7
105.07665	3.4
107.08591	45.4
107.09258	3.0
107.40372	2.0
109.06501	4.0
109.10153	48.3
111.08114	6.3
113.06042	4.1
117.06995	12.8
119.08578	52.4
121.06516	5.1
121.10143	40.1
123.08094	10.6
123.11658	17.0
125.00053	2.9
125.09654	6.7
128.06223	3.0
129.07019	5.2
130.07802	3.1
131.08556	23.4
133.08595	7.3
133.10123	46.4
133.11040	3.8
135.08102	2.3
135.11694	21.4
137.09630	3.0
141.09142	3.0
142.07780	2.2
143.08580	12.1
144.09409	2.9
145.10121	44.8
147.08087	3.2
147.11699	38.3
149.09654	3.6
149.13290	13.2
151.11305	2.6
157.10110	17.0
158.10957	4.1
159.11676	49.2
160.12206	2.5
161.09700	4.3
161.13264	37.6
161.14568	3.1
163.14848	5.9
165.12921	2.9
169.10187	4.8
171.11694	10.6
173.09602	2.7
173.13266	28.4
175.11230	3.2
175.14844	14.1
177.16440	6.9
183.11801	4.3
185.13329	8.2
187.14815	30.2
187.16330	2.8
189.16399	23.9
191.14429	3.1
191.18025	4.6
197.13272	5.7
199.14795	11.0
201.16397	30.3
203.14500	3.8
203.17923	25.3
211.14801	4.1
213.16382	5.2
215.14359	3.9
215.18002	16.2
217.15955	2.9
217.19579	4.5
219.17526	9.7
221.15282	2.4
223.81604	2.0
225.16428	2.2
227.18048	6.7
229.19463	3.5
231.17493	2.4
233.15506	3.0
235.17001	5.6
239.14874	5.0
241.19528	5.2
247.17090	4.4
253.19330	2.5
255.21094	5.9
281.22708	2.9
283.24701	2.4
311.23892	2.5
313.25372	5.2
329.25043	3.4
414.51425	2.5
419.33524	11.3
421.35428	3.1
437.34317	100.0
438.34451	13.0
450.78601	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	19.1
57.07077	15.5
67.05503	33.1
69.07066	45.1
75.47318	8.3
79.05479	13.9
80.73937	8.1
81.07036	60.6
83.05051	9.2
89.06007	24.8
91.05457	22.5
93.07039	31.2
95.08600	57.7
97.06520	67.4
98.23208	36.0
105.07029	53.0
107.08571	41.7
109.10149	59.3
111.08136	18.8
113.09618	11.4
117.07033	21.5
118.55952	7.5
119.08596	55.4
121.10130	35.3
125.09658	20.5
129.07069	9.3
131.08542	20.8
133.08614	21.6
133.10120	32.0
135.11676	24.4
137.09644	8.9
137.13315	8.4
143.08522	16.9
145.10143	48.6
147.11713	26.8
149.13269	16.4
157.10107	17.0
159.11678	40.8
161.09557	11.7
161.13243	38.1
163.11049	10.5
171.11647	20.8
173.13310	25.9
175.14815	24.9
183.00218	8.6
187.14711	10.1
189.12737	14.0
199.14836	12.2
201.16359	17.0
203.14323	13.6
203.17984	11.5
213.16415	12.8
215.17892	11.7
217.15872	39.7
219.17398	31.3
239.14882	11.8
297.18396	13.7
311.23611	15.9
313.25238	19.9
379.30450	13.9
386.36050	8.1
419.33371	23.8
437.34360	100.0
438.34445	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	4.0
55.05517	28.5
57.07069	8.4
59.05009	4.0
61.39928	3.3
65.03925	3.2
67.05507	40.7
67.84071	3.0
69.03429	5.3
69.07069	65.4
69.28502	18.2
69.28906	8.5
69.76427	3.1
70.54707	3.0
70.57011	3.0
71.04996	3.8
79.05492	22.4
81.07058	52.7
83.04948	17.4
83.08639	11.9
89.06030	14.7
91.05483	26.0
93.07049	47.4
95.04967	24.7
95.08608	88.7
96.08984	4.5
97.06532	34.8
98.22972	12.5
99.08076	3.8
105.07031	59.0
107.08591	51.6
109.06537	8.5
109.10165	59.0
111.04441	4.1
111.08089	13.1
117.07027	15.9
119.08585	66.6
121.06475	4.8
121.10140	36.2
123.08071	14.7
123.11722	18.1
125.09621	8.1
127.03825	5.3
128.06186	6.2
129.07002	9.4
130.07750	4.4
131.08578	27.5
133.08624	9.2
133.10133	48.4
135.08083	7.3
135.11681	25.2
137.09639	5.3
137.13277	7.5
141.06972	5.1
142.07794	4.4
143.08548	22.6
144.09221	3.3
145.10126	48.6
146.10439	3.7
147.11684	33.8
149.09657	8.2
149.13293	12.1
151.11176	7.1
155.08575	11.6
156.09344	7.6
157.10118	29.4
159.11711	46.5
161.09607	6.4
161.13277	37.1
163.11206	7.8
163.14861	8.0
167.08575	4.5
169.10130	13.9
171.11676	23.1
173.13271	29.4
175.11217	7.5
175.14864	15.3
177.12810	4.3
177.16386	6.2
181.10178	8.1
182.10867	3.8
183.11671	15.8
185.13284	11.0
187.14821	17.5
189.12813	8.3
189.16422	7.4
191.14371	6.4
191.17990	5.6
193.10109	3.9
195.11708	12.0
197.09799	3.4
197.13315	17.4
199.14784	21.6
201.12836	3.1
201.16397	27.8
203.14377	7.2
203.18008	10.6
205.15915	6.3
206.10957	3.5
207.11530	4.0
209.13425	6.6
211.11298	4.4
211.14835	11.6
213.16394	18.7
215.18007	13.2
217.15875	29.6
219.17494	14.7
221.13170	4.0
223.14857	8.2
225.16405	9.9
227.17847	5.6
231.17465	8.9
237.16304	5.1
239.14917	14.1
239.17828	3.8
248.15445	4.3
253.19521	4.7
261.16202	4.2
279.21005	4.1
295.24084	4.6
297.18561	8.0
311.23767	7.1
313.25476	5.1
351.26703	4.0
381.24197	4.5
393.27740	4.3
419.29419	14.3
419.33835	6.0
437.34576	100.0
438.34567	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69442	1.7
53.03946	2.9
55.01868	7.6
57.03439	5.8
67.05503	3.9
69.03431	14.0
69.07076	20.6
71.05001	2.4
71.29801	3.9
79.05492	6.9
81.03416	12.0
81.07082	3.8
83.05001	3.7
85.02910	38.0
87.04521	1.8
91.05482	4.0
93.07066	4.0
95.04937	3.2
95.08622	5.7
97.02898	22.3
97.06535	100.0
99.04455	24.3
99.08086	13.1
103.03947	41.3
105.07045	5.6
107.08588	3.4
109.02882	32.0
109.06522	5.1
109.10201	2.3
111.04488	2.9
111.08083	2.1
113.06015	24.4
115.05472	2.1
115.07581	26.6
123.04472	2.3
123.08076	4.2
125.02327	2.1
127.03924	70.2
128.04260	2.9
131.08589	3.5
133.06424	2.2
135.08058	4.1
137.05974	4.0
143.94666	2.0
145.04980	26.8
145.10175	2.2
147.11687	3.6
147.59784	2.0
149.02299	2.9
151.07544	7.0
153.01840	3.4
157.08702	2.5
161.06001	3.3
163.06026	15.6
163.07541	9.3
165.12782	4.3
169.04951	2.9
169.08662	9.9
177.09187	3.3
177.16422	2.2
181.08496	4.0
187.06012	5.6
187.14824	2.6
199.09669	7.1
205.06999	3.7
205.08714	10.6
205.15907	5.7
211.97670	2.6
213.14757	3.5
219.04207	2.1
223.09642	37.5
223.13277	4.9
241.10793	14.2
241.14391	6.6
241.18036	2.1
247.08156	4.9
253.07091	2.4
259.11777	7.7
271.08078	5.7
283.11945	2.5
289.09195	4.6
301.12906	14.5
307.10208	4.0
327.45004	2.4
347.34503	2.1
367.13803	5.7
385.14874	6.1
403.15851	8.6
439.15802	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	1.3
69.03445	1.0
69.32165	5.3
70.06596	1.2
79.05493	4.0
85.02931	1.6
89.03915	5.8
91.05460	1.0
95.05003	1.8
98.23410	1.0
99.04475	1.0
103.05461	2.0
105.07041	100.0
106.07367	3.4
107.08608	1.0
112.02300	1.0
117.03379	6.6
118.03718	1.6
119.01945	1.1
121.02906	1.3
122.09679	47.3
123.10046	1.3
133.91498	1.0
135.04424	14.3
136.04778	3.4
144.04846	1.1
145.02821	8.7
146.03271	1.7
147.04385	1.3
148.66963	0.8
150.05516	1.1
153.05611	1.0
163.03914	55.5
164.04257	17.2
171.05074	0.9
187.04437	1.4
188.04752	1.9
221.02957	5.9
222.03177	15.7
223.02782	3.8
223.13341	1.5
240.04213	3.0
258.06580	1.0
259.15491	1.0
271.04398	1.2
272.04745	4.7
275.06146	2.7
276.06458	3.1
276.49918	1.0
290.05801	2.7
296.98242	1.0
300.04260	2.7
332.06815	1.6
350.07877	2.1
351.07419	1.6
378.07465	9.7
379.07211	3.2
396.08136	1.2
420.08655	2.1
438.09250	2.3
438.14331	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13034	0.7
56.28038	0.8
65.03936	2.5
67.74325	0.7
68.21526	0.8
69.03430	1.2
70.06587	3.1
71.29052	1.3
78.26655	0.9
79.05450	0.7
81.03403	1.0
82.99842	0.9
83.05016	0.8
84.08132	1.6
85.02899	3.2
88.50098	0.6
89.03943	1.3
91.05482	13.0
93.07067	0.7
95.04973	2.8
97.02882	2.1
100.16808	0.6
101.00881	10.0
107.04964	1.4
111.04467	1.4
113.00877	1.5
117.03382	2.0
118.70853	0.7
119.01926	33.6
119.04945	28.8
120.02026	1.7
121.02872	1.6
123.04458	3.7
127.02422	3.3
127.03914	1.0
129.03970	0.9
131.01913	3.2
133.03461	1.0
135.04417	3.1
136.04736	1.1
137.02946	9.5
139.03894	1.0
143.01883	2.4
143.05540	1.6
145.03621	11.2
146.03511	1.0
147.04407	100.0
148.04762	3.2
153.03984	1.3
155.01877	4.3
157.03499	4.1
159.05104	1.2
160.07611	1.2
161.02974	7.6
163.03891	9.5
164.04263	1.9
169.03490	13.5
171.05049	5.0
173.02971	3.2
175.04517	1.4
177.05458	5.9
179.01883	1.6
179.03879	0.8
183.05028	1.2
185.02931	8.6
185.06618	1.8
187.04524	14.3
193.03482	2.1
195.05080	5.1
197.02971	10.4
203.03984	2.6
205.03447	2.2
205.05569	2.3
209.02980	1.6
211.04510	2.8
213.02513	1.1
213.06093	4.0
213.12402	1.8
214.05624	0.7
215.04018	5.8
217.01962	1.6
221.02986	2.7
221.06702	2.0
222.03156	1.2
223.02713	2.6
223.04568	2.9
227.04034	1.2
229.05566	7.7
231.03345	1.5
233.05005	0.9
239.04045	3.6
239.07716	1.3
241.03528	1.1
241.05667	1.7
245.05023	7.8
247.04520	2.5
247.06631	2.9
249.06104	2.7
255.05098	1.2
257.05099	3.5
259.02731	1.0
263.06180	2.3
265.05688	1.2
273.03943	1.0
273.06116	3.2
275.03259	1.5
275.06107	24.7
276.06339	2.1
291.05475	1.3
291.07080	0.7
293.07437	4.1
295.06674	2.6
299.06128	3.3
309.08444	0.8
313.07532	0.9
315.07129	1.8
316.04251	1.0
317.07196	14.2
318.07455	1.2
319.04871	6.4
331.06631	2.7
333.08185	2.3
335.08469	1.4
337.07233	1.2
343.06540	1.5
351.08646	0.8
355.08707	2.2
361.07794	1.9
379.08740	13.6
380.08884	1.5
387.02942	1.0
393.10077	1.0
397.10126	5.4
403.08652	5.5
421.09842	16.3
422.10092	2.0
439.03412	0.8
439.10834	9.9
439.16147	1.3
440.11035	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	0.9
64.58345	0.6
69.03410	0.8
70.66930	0.8
73.02898	1.0
77.13660	0.5
81.07075	0.6
81.75907	0.6
83.21149	0.5
84.81577	0.5
85.02871	1.4
86.73403	0.5
96.46039	0.6
97.02877	1.1
97.06570	0.6
105.06992	0.6
107.04917	0.8
123.04375	1.5
136.07527	0.8
140.01588	0.7
154.08655	0.6
164.07079	2.9
182.08171	1.1
185.04189	1.5
193.30684	0.5
193.44122	0.5
229.06859	2.0
259.10681	1.0
260.09293	0.8
270.07642	0.7
277.10559	1.5
278.09869	0.6
288.08691	2.7
301.11755	1.7
317.08408	100.0
318.08780	4.3
319.12708	1.0
415.77310	0.6
439.12076	80.3
439.22113	8.7
440.12659	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02731	1.8
55.29671	1.7
56.72069	1.6
59.04974	1.7
67.05492	3.6
69.03436	3.5
70.06606	4.2
70.51274	3.7
70.51645	3.7
79.05502	3.5
81.03433	3.6
81.07042	2.1
86.09730	2.3
89.03927	8.6
91.05502	3.4
98.98477	8.3
107.04967	3.2
115.03971	2.0
117.03374	8.8
123.04459	2.3
125.79066	1.9
127.03906	2.1
133.10083	2.1
135.04417	14.2
137.05879	2.0
145.02864	11.8
163.03909	100.0
164.04306	2.5
181.04951	2.2
193.12259	3.0
203.05344	4.6
225.63792	2.0
259.29675	1.7
267.15915	10.6
287.03665	2.7
307.08289	2.0
325.09229	2.1
439.17087	2.6
439.23264	40.3
440.23047	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72733	0.8
77.58099	0.3
83.01100	0.5
95.01096	1.8
96.01849	0.8
99.09490	0.4
112.01311	0.7
112.63358	0.3
113.02148	2.3
113.08791	0.4
113.85380	0.3
123.04393	0.4
126.02924	0.7
157.04698	0.4
185.04222	4.1
185.05751	0.5
194.29407	0.3
201.03719	1.3
202.04437	0.5
202.06018	2.0
203.05132	0.5
243.08569	0.6
253.16684	0.3
259.07996	0.6
277.10394	0.8
299.42227	0.4
424.13571	0.5
439.15735	100.0
440.16107	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56530	0.2
51.48982	0.2
51.99062	0.2
60.30899	0.2
69.03442	0.3
71.29006	0.3
85.02908	0.3
97.06531	0.3
105.07064	0.3
123.04433	0.3
137.05968	0.9
151.07544	0.5
175.07570	0.3
182.97023	0.2
189.09157	0.2
205.83249	0.2
293.99585	0.2
307.11472	2.5
395.14148	0.2
439.15732	100.0
440.16104	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
55.34817	0.3
57.68255	0.4
60.67218	0.4
65.86797	0.4
67.05499	1.3
69.07043	0.4
69.57976	1.8
79.05485	0.8
81.07062	1.3
86.02858	0.4
91.05484	0.6
92.03110	0.3
93.07053	1.4
95.08630	2.2
105.03419	0.8
105.07019	1.4
107.08588	0.9
109.10158	0.8
111.04413	0.5
113.89883	0.4
119.08578	1.7
121.06499	0.5
121.10071	0.7
123.08100	0.9
129.07036	0.4
131.08568	0.6
133.10141	1.0
135.11732	0.4
143.08556	1.1
145.10129	1.3
147.11725	0.5
155.08522	0.6
157.10168	1.1
159.08104	0.4
159.11676	0.8
169.10161	0.7
171.07991	0.6
171.11740	1.0
181.10124	0.7
185.09592	0.7
185.66739	0.4
195.11581	0.5
197.13193	0.5
199.11191	0.7
211.11084	0.6
215.10823	0.4
221.13304	0.9
237.12831	0.5
281.15439	0.6
299.16422	0.9
393.12518	0.4
403.22583	0.6
421.23807	1.9
421.29178	0.5
424.14822	1.0
439.17294	100.0
439.24222	5.7
440.17627	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2119
Annotation	11beta-Hydroxycedrelone
Peak:m/z	Relative Intensity
53.03951	1.4
55.01881	1.0
55.05507	2.2
57.50081	0.7
65.03947	1.3
67.05507	8.5
69.03432	100.0
69.07056	1.6
69.31030	4.4
70.03758	2.7
71.05000	1.5
79.05489	7.1
81.03419	1.6
81.07059	8.2
82.07493	0.8
83.04984	2.1
85.06537	1.0
87.04453	3.9
91.05477	11.7
93.07049	13.0
95.04967	4.3
95.08607	22.7
97.06530	3.1
103.05491	1.9
105.04555	0.9
105.07037	14.5
107.04960	2.5
107.08595	5.7
109.06512	13.8
109.10150	1.2
110.06851	0.8
111.08060	7.3
112.08354	0.9
113.06015	0.8
115.03923	2.4
115.05461	2.0
117.07027	4.2
119.04939	2.4
119.08570	6.8
121.06529	7.8
121.10160	6.6
123.08078	16.2
127.62310	0.8
128.06224	3.8
129.07030	7.2
130.07771	0.9
131.08577	9.6
133.06526	4.8
133.10103	5.3
135.08046	3.1
137.05984	9.1
137.09544	1.1
139.07542	77.6
140.07884	3.2
141.06992	6.9
142.07805	1.9
143.08551	8.2
145.06500	5.2
145.10164	6.3
147.08061	7.3
147.11653	0.9
149.05991	2.3
149.09624	4.0
151.07541	8.0
153.06998	2.9
154.07700	1.4
155.08551	20.1
155.09821	1.0
156.08968	1.8
157.06514	4.3
157.08919	0.7
157.10114	4.4
158.07210	1.2
159.04443	1.2
159.08032	6.1
159.11713	1.3
160.08670	1.0
161.05942	2.0
161.09608	4.6
163.07585	1.5
165.06993	5.6
165.09146	2.7
166.07765	2.5
167.07140	1.7
167.08566	5.5
167.10646	1.0
168.09180	0.9
169.06490	1.8
169.10121	4.5
171.08054	13.2
171.11719	3.2
173.06078	1.6
173.08215	1.6
173.09641	26.3
173.11147	1.4
174.10063	1.3
175.07501	4.3
175.11201	2.6
177.09128	5.8
177.10513	0.9
178.07802	3.4
179.08528	6.0
180.09332	2.3
181.06476	1.8
181.10098	7.5
182.07330	1.2
182.10704	0.9
183.08023	4.8
183.11679	2.1
184.08688	1.0
185.09633	4.2
185.13216	1.7
187.07590	4.4
187.11168	3.4
188.08020	0.7
189.09070	3.6
190.07838	0.9
191.08574	4.4
191.10709	1.2
192.09286	4.4
193.06760	0.7
193.08537	1.7
193.10188	4.7
194.07321	1.1
194.10855	2.6
195.06487	2.3
195.08051	5.3
195.11678	5.4
196.08792	1.9
197.09636	5.7
197.13232	1.5
199.07542	1.4
199.11214	4.5
200.11983	0.9
201.09138	2.6
202.07767	1.0
203.08607	2.4
203.10521	1.7
204.09361	3.6
205.08539	1.1
205.10144	6.1
206.10863	2.8
206.73650	0.7
207.07993	2.0
207.09930	1.6
207.11771	4.2
208.08788	2.6
208.12398	1.3
209.09612	9.6
209.13324	4.1
210.10315	2.1
210.13814	0.9
211.07579	2.2
211.11162	4.6
212.11833	0.8
213.09094	1.9
213.12653	1.6
214.09639	0.8
215.08543	2.7
215.10471	1.8
216.09341	2.1
217.10065	2.7
217.12070	1.1
218.10921	1.3
219.08055	1.6
219.11739	5.4
220.08830	1.2
220.12344	4.2
221.09782	5.5
221.11499	1.7
221.13226	2.9
222.10378	2.3
223.07506	2.5
223.11139	7.0
224.11736	1.6
225.09024	1.7
225.12740	2.6
226.09993	0.8
227.10666	4.1
227.14339	2.3
228.09399	1.0
229.10124	2.0
229.12256	1.8
230.10875	4.1
231.11771	1.7
232.12366	1.1
233.09537	3.2
233.13356	2.1
234.10320	2.0
235.11153	3.2
235.14905	3.5
236.11864	1.7
237.09081	2.5
237.12717	9.7
238.13347	1.6
239.10658	1.6
239.14299	1.7
241.12207	2.7
243.11836	1.4
245.09610	2.1
245.13408	5.2
246.10349	1.4
246.13985	1.0
247.11224	4.7
247.14871	1.2
248.11971	2.8
249.09048	1.2
249.12729	3.1
251.10670	2.0
251.14291	1.7
253.12198	2.4
253.15855	1.6
255.11649	2.2
255.13838	2.7
257.09482	1.1
257.13287	0.9
258.10300	2.3
259.14847	2.6
261.12741	2.2
261.16232	1.1
262.13406	0.8
263.10635	1.6
263.14349	11.5
264.14856	1.6
265.12219	7.5
265.15671	1.7
267.13925	1.7
269.13217	1.6
271.10818	1.0
272.11905	1.1
272.15326	0.8
273.12836	6.0
274.13348	1.3
275.14380	0.8
276.11426	1.7
277.12485	0.8
277.15820	1.1
279.13702	2.1
279.17010	1.6
281.11758	1.5
281.15396	5.8
283.13177	6.5
285.12305	0.9
285.15051	1.2
286.13422	1.3
287.14359	2.0
289.12402	1.9
289.15848	2.6
291.10608	1.4
291.13812	19.7
291.17047	0.8
292.14243	1.0
299.13794	0.8
301.15677	1.5
301.19165	1.0
303.17282	0.9
305.15417	2.2
307.13370	1.3
307.16849	2.4
309.14914	15.8
310.15240	1.0
311.17847	1.4
313.15521	1.1
315.13608	1.9
315.17331	2.9
317.11783	1.1
319.17062	0.9
319.20447	1.5
323.20078	1.2
325.17883	1.8
327.15765	3.2
329.15466	0.9
329.19046	4.1
331.17102	1.9
333.14813	1.5
333.18576	2.0
339.17374	2.0
343.16785	1.0
347.16449	1.2
347.19952	6.2
348.20374	1.1
349.17941	0.9
351.19492	1.3
357.18484	9.1
358.18765	0.9
359.16336	1.6
361.13922	1.1
361.17911	1.8
365.21121	2.8
367.17401	1.1
375.19525	17.3
376.19757	1.8
377.17450	3.1
379.15253	2.1
379.19226	1.2
385.18085	4.7
393.20572	20.5
394.20703	1.1
395.18405	2.1
397.20352	0.8
403.19009	14.5
404.19446	2.2
411.21729	5.9
421.20029	53.1
422.20346	5.7
431.70798	0.8
439.21002	95.7
440.21408	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2115
Annotation	11beta-Hydroxycedrelone
Peak:m/z	Relative Intensity
53.03949	1.9
55.01866	2.2
55.05505	2.8
65.03938	1.0
67.05505	7.8
69.03429	100.0
69.07066	1.5
70.03758	3.1
70.71138	0.8
71.04980	1.4
71.31446	0.7
71.31795	0.7
73.00652	0.6
79.05497	9.0
81.03419	1.4
81.07045	9.0
83.04990	1.6
87.04471	4.7
91.05485	12.4
93.07045	16.0
95.04984	3.3
95.08605	20.7
96.08930	0.7
97.06532	2.8
97.10156	0.6
99.04453	1.8
103.05466	1.9
105.04507	0.8
105.07028	13.9
107.04973	3.3
107.08611	5.8
109.06513	13.9
109.10147	1.8
110.46229	0.7
111.04429	1.0
111.08079	7.6
113.05963	1.0
113.08467	0.6
115.03928	3.0
115.05446	2.8
116.06158	0.8
117.07012	4.2
119.04969	1.2
119.08598	6.9
121.06509	5.7
121.10137	5.9
123.04457	1.1
123.08071	13.8
125.06002	1.0
128.06210	6.8
129.07011	7.3
130.07750	1.1
131.04910	0.9
131.08568	7.8
133.06477	6.2
133.10165	4.4
135.04422	1.0
135.08046	3.4
137.05998	6.6
139.07538	80.7
140.07877	3.1
141.07004	6.1
142.07777	1.9
143.08562	9.9
144.08875	0.6
145.06508	5.2
145.10132	5.9
147.08057	8.3
147.11658	1.2
148.08882	0.9
149.05952	3.2
149.09633	5.5
151.07536	9.1
152.06134	0.7
153.05815	0.6
153.06984	3.6
154.07672	1.3
155.08554	21.3
156.09224	2.3
157.06491	6.0
157.08923	0.9
157.10121	5.0
158.07268	2.1
159.08051	8.0
159.11682	1.3
161.05948	1.8
161.09639	3.4
163.07539	1.9
165.06976	4.7
165.09122	2.5
166.07784	3.1
167.07031	2.5
167.08559	5.6
167.10690	1.1
168.09279	1.4
169.06430	2.0
169.10123	5.6
171.08043	12.7
171.11702	2.3
173.06018	1.2
173.09613	27.3
174.10051	1.4
175.07524	4.5
175.11209	2.3
177.09093	6.0
178.07681	4.0
179.08540	4.9
179.10754	0.9
180.09387	3.3
181.06505	1.6
181.08615	1.0
181.10094	6.4
182.07204	1.3
182.10614	1.0
183.08075	5.0
183.11670	2.8
185.05965	0.8
185.09631	5.6
187.07561	7.1
187.11099	3.0
189.06992	0.8
189.09106	3.1
189.12720	0.8
190.07690	1.6
191.08604	5.2
191.10397	1.1
192.09290	3.9
193.08559	2.3
193.10130	7.9
194.07222	1.5
194.10826	2.7
195.06448	2.2
195.08040	6.0
195.09853	1.0
195.11653	4.7
196.08791	1.9
196.12325	1.0
197.09601	6.4
197.13213	0.8
199.07524	2.6
199.11160	4.2
199.32043	0.7
201.09109	3.5
202.07796	2.3
203.08636	1.5
203.10614	1.4
204.09254	3.1
205.08574	0.8
205.10181	5.4
206.10875	3.5
207.08089	1.7
207.10068	2.2
207.11794	4.2
208.08820	3.9
209.09653	10.5
209.13226	4.2
210.10336	2.0
211.07539	2.4
211.11272	3.5
211.14899	1.7
213.09081	2.8
213.12712	2.2
215.08548	3.3
215.10669	2.3
216.09294	1.8
217.10121	3.1
217.12015	0.9
218.10887	1.2
219.08168	1.5
219.11728	7.0
220.08815	1.5
220.12357	3.2
221.09830	4.3
221.13399	3.8
222.10310	2.0
223.07547	2.9
223.11134	5.7
223.14656	1.0
224.11795	1.3
225.09085	2.3
225.12679	1.3
226.16768	0.7
227.10675	3.9
227.14299	2.4
229.10052	2.5
229.12094	1.0
230.10915	4.3
231.08102	0.9
231.11617	2.1
232.08812	1.2
232.12315	0.9
233.09543	3.1
233.13087	1.3
234.10295	1.8
235.07552	0.8
235.11180	3.8
235.14836	2.9
236.11784	1.1
237.09059	1.7
237.12798	10.5
238.13351	1.3
239.10684	2.7
239.14290	2.7
240.09297	1.5
241.10104	1.2
241.12225	2.9
242.10681	0.8
243.11829	1.6
243.13857	0.9
244.12393	1.2
245.09431	1.6
245.13406	7.0
246.10487	1.3
246.13791	1.2
247.11234	5.5
247.14824	1.6
248.11879	2.4
249.09102	1.4
249.12665	3.0
251.10596	2.7
251.14305	1.1
253.12190	2.1
253.15742	2.3
255.11586	1.4
255.13921	3.4
257.13309	1.4
258.10382	1.2
259.11014	1.7
259.14975	1.6
261.08994	0.7
261.12744	3.2
262.13354	1.0
263.10495	1.5
263.14313	12.0
264.11566	1.1
264.14661	1.5
265.12201	6.8
265.15720	1.7
267.13809	2.4
270.13889	0.9
273.12820	6.6
274.13281	1.2
275.14230	1.9
276.11267	1.3
277.12366	1.5
277.15796	1.8
278.12643	0.9
279.13681	2.5
279.17285	1.3
281.15579	4.7
283.13165	7.1
285.14929	1.4
287.14194	2.5
289.12070	2.0
289.15549	1.3
291.10614	1.2
291.13791	15.0
292.14288	1.3
297.15964	0.9
301.15781	1.3
301.19421	1.3
305.15222	1.8
305.18707	1.1
307.13516	1.6
307.16949	2.3
309.11612	1.0
309.14868	14.6
311.17786	1.9
315.13641	2.0
315.17310	2.1
317.15280	1.5
325.18155	1.3
327.15948	4.0
329.15430	0.9
329.18912	4.6
331.16769	0.8
333.14813	1.5
333.18372	2.2
335.16495	1.2
339.17343	2.7
343.16791	1.5
347.16278	1.1
347.20020	5.9
349.17877	1.1
351.19455	1.4
357.18512	9.0
361.17828	1.9
365.20947	2.2
375.19540	19.6
376.19751	2.0
377.17224	2.2
379.15234	2.2
379.19080	2.0
385.17871	4.9
393.20557	21.7
394.20740	2.6
395.18344	1.8
403.18994	18.0
404.19257	1.4
411.21674	5.3
421.19983	55.2
422.20358	6.3
439.21021	96.3
440.21292	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
55.05506	1.4
57.07080	2.1
58.07406	0.3
59.04720	0.2
59.05004	3.6
67.05502	0.7
69.03426	0.5
69.07079	1.6
71.08624	1.3
79.05491	0.6
81.07054	1.2
83.04971	0.2
83.08617	0.5
85.10168	0.9
89.06030	2.7
90.06361	0.4
91.05495	0.8
93.07040	0.8
94.09260	0.2
95.08617	0.8
105.07019	0.9
107.08590	1.1
109.10157	1.0
117.06994	0.2
119.08577	0.9
121.06569	0.3
121.10142	1.0
123.11697	0.5
127.85596	0.3
128.58556	0.2
131.08575	0.5
133.08621	1.9
133.10136	0.7
135.11711	0.4
141.07013	0.5
143.08549	0.3
145.10092	0.6
147.11722	0.5
153.07039	0.3
157.10219	0.3
159.08051	0.2
159.11726	0.4
160.39195	0.2
161.13332	0.4
165.07028	0.7
166.07724	0.3
167.08582	0.8
169.10258	0.5
171.07999	0.4
171.11694	0.3
173.13335	0.3
175.14864	0.3
177.11250	0.4
178.07883	0.4
179.08560	0.9
181.06512	0.8
181.10130	0.5
182.07266	0.9
183.08015	0.5
183.11737	0.3
184.05243	0.3
185.09615	0.5
187.11285	0.3
187.14870	0.3
189.06902	0.3
191.08556	0.7
192.09282	0.4
193.06552	0.4
193.10194	0.5
194.07263	0.4
194.10892	0.2
195.08022	1.1
195.11696	0.3
196.08795	0.4
197.05977	1.3
197.09590	1.0
199.07498	0.2
199.14700	0.3
203.08511	0.3
203.17931	0.3
206.07198	0.3
207.08022	1.6
208.08832	0.3
209.05910	0.3
209.09631	1.2
210.06714	1.8
211.07530	3.4
211.11122	0.5
212.04742	0.3
213.09084	0.3
219.08102	0.9
220.08788	0.3
221.06030	0.9
221.09595	1.4
222.06726	0.6
222.10298	0.4
223.07545	4.3
223.10999	0.5
224.08215	1.3
225.05609	1.8
225.09085	5.1
225.12717	0.4
225.16257	0.3
226.05992	0.3
226.09676	0.4
227.07031	3.7
227.10670	0.3
231.07991	0.4
232.08910	0.5
233.09564	0.6
234.06747	0.5
234.10405	0.3
235.07523	2.9
235.11272	0.7
236.08301	1.2
236.11925	0.3
237.05524	1.8
237.09082	2.6
238.06296	2.6
238.08679	0.2
238.09802	0.5
239.07018	4.4
239.10651	1.3
239.14915	1.0
240.07826	1.5
240.15186	0.4
241.08546	0.8
245.09650	0.3
247.07539	0.5
248.08408	0.8
248.11961	0.4
249.09109	2.9
249.12764	0.5
250.06250	0.2
250.09798	0.9
251.07028	2.4
251.10562	1.4
251.14259	0.4
252.07802	3.1
252.11487	0.4
253.08591	21.5
253.15843	2.9
254.09131	2.6
255.06493	0.4
255.10213	0.4
259.11066	0.3
261.09201	0.8
261.12961	0.3
262.09888	0.7
263.07010	1.0
263.10663	1.3
263.14227	0.5
264.07880	0.6
264.11401	0.6
265.08630	2.0
265.12149	1.2
266.09232	0.8
266.12866	0.4
267.06573	1.2
267.10196	2.9
267.13620	0.5
268.07327	1.2
268.10858	0.6
269.08072	1.5
275.10730	0.8
276.07831	0.4
276.11362	0.7
277.08615	1.6
277.12164	0.9
278.09378	1.7
278.12531	0.3
279.06955	0.4
279.10178	2.7
279.13757	0.7
280.07327	1.3
280.10776	0.6
281.08093	3.8
281.11731	3.4
281.15167	0.6
282.08777	1.1
282.12405	0.7
283.09619	0.8
289.08698	0.3
291.10129	0.7
291.13770	1.3
292.10944	0.6
292.14575	0.7
293.08084	1.2
293.11700	1.4
293.15347	1.1
294.12482	4.2
295.09686	1.6
295.13235	1.6
295.16690	0.4
296.10733	0.4
296.14029	3.8
297.10992	0.2
297.14716	0.8
305.11749	0.7
305.15283	0.5
307.09622	0.8
307.13318	0.7
308.10397	0.6
308.14005	5.8
309.11218	2.0
309.14767	14.9
310.11981	0.3
310.15256	1.2
319.13361	1.2
320.13852	0.6
321.11227	0.7
321.14871	1.4
322.11862	0.7
322.15549	0.5
323.12854	1.5
323.16376	18.2
324.13837	1.3
324.16568	1.3
333.14716	1.3
334.15521	1.0
336.13525	3.9
336.17136	0.4
337.14322	27.9
338.14706	3.2
351.15891	17.2
351.19186	0.7
352.16422	2.3
353.17429	0.5
379.19043	0.7
383.14383	0.4
383.18561	3.1
411.21451	0.4
421.35086	0.5
422.35629	0.5
439.21136	100.0
440.21481	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19883	0.5
53.03939	2.1
53.62167	0.5
55.01861	2.0
55.05264	0.8
55.05512	9.6
57.03423	1.8
57.07065	1.4
59.04985	1.9
65.03926	1.4
67.05504	28.4
68.05811	0.9
69.03420	3.9
69.07061	3.3
71.04982	1.6
71.29084	1.0
79.05492	6.8
81.03419	7.3
81.07061	11.2
83.04487	1.0
83.04981	15.5
83.08618	4.8
85.02901	3.3
85.06521	1.4
85.35091	0.7
91.05486	11.9
93.06462	0.9
93.07043	11.7
95.04972	6.7
95.08601	14.3
97.06520	1.9
97.10181	0.6
99.04420	1.1
103.05473	0.9
105.07037	8.8
107.04934	1.2
107.08601	6.5
109.02870	1.1
109.06545	3.4
109.09450	1.1
109.10155	17.2
110.10476	0.8
111.04435	6.3
111.08086	4.4
113.05994	0.7
115.05421	1.6
117.07011	3.6
119.08579	10.1
121.06495	4.1
121.10146	4.1
123.08067	3.6
123.11697	1.3
125.05946	0.8
127.03931	3.5
128.06244	4.1
129.07013	6.4
131.08568	7.0
133.06465	1.8
133.10146	4.1
135.08040	4.3
135.11667	1.8
137.05928	1.3
137.09599	2.8
139.07527	1.5
141.06984	3.0
141.09068	0.9
142.07777	3.6
143.08603	5.7
144.09297	1.3
145.06441	1.7
145.10138	4.8
147.08009	2.1
147.11678	3.7
149.05959	0.7
149.09622	2.3
149.13268	0.7
151.11163	0.9
152.06186	3.3
153.06940	1.3
154.07751	1.9
155.08546	4.1
155.10635	0.8
156.09328	1.7
157.06448	1.7
157.10130	6.1
158.07243	1.9
158.10875	0.9
159.08087	4.1
159.11650	4.5
161.09630	4.0
161.13260	1.0
163.11154	1.1
165.07027	4.8
165.09119	0.8
166.07716	1.8
167.07207	1.0
167.08566	8.0
168.09142	0.8
169.06448	0.9
169.10129	5.4
170.07089	0.9
171.08070	3.3
171.11713	3.4
172.08846	1.5
173.09610	10.5
173.11792	2.9
173.13152	1.4
175.07541	1.2
175.11166	3.9
177.09081	1.1
177.12776	0.7
178.07777	2.0
179.08575	3.7
180.09373	1.2
181.06474	1.5
181.10112	3.6
182.07214	1.5
182.10771	0.8
183.08022	2.4
183.11703	4.2
185.09650	3.9
185.13208	1.0
187.11133	5.5
189.06941	0.8
189.09111	1.2
189.12738	0.8
190.07646	1.1
191.03410	0.9
191.08568	1.6
192.09270	1.7
193.10124	3.9
193.12213	7.0
194.10851	1.3
195.08058	12.8
195.11700	3.1
196.12357	0.8
197.09575	3.4
197.13223	2.7
199.07547	6.8
199.11171	2.0
199.14795	1.1
201.09079	1.0
201.12686	1.4
202.07738	2.1
203.08672	3.2
203.10461	1.1
204.09250	2.3
205.10083	3.1
205.12082	1.1
206.10841	2.9
207.08153	0.9
207.10075	0.6
207.11707	4.5
208.08742	1.4
208.12224	0.9
209.09573	4.2
209.13243	2.4
210.10303	1.4
211.07579	1.0
211.11160	1.8
211.13243	7.2
211.14937	0.9
213.09073	2.0
213.12656	0.8
215.08539	1.8
216.09312	2.2
217.10129	4.1
218.07295	1.5
218.10844	1.7
219.08121	1.1
219.11679	7.0
220.08749	1.1
221.09557	2.7
221.13281	3.5
222.10356	1.1
223.11235	4.7
223.14771	1.0
224.11876	1.5
225.09048	0.9
225.12747	4.0
227.08604	1.1
227.10599	1.3
227.14273	2.1
228.09291	1.8
229.10295	3.7
229.12071	1.0
230.10811	2.5
231.08058	1.3
231.11600	2.6
232.08810	1.9
232.12357	0.9
233.09666	4.4
233.13211	1.8
234.10332	1.7
235.11157	4.6
235.14809	1.1
237.09055	1.0
237.12694	3.2
239.08540	1.3
239.10617	1.3
239.14336	3.3
240.09270	1.3
241.10168	4.5
242.10852	3.5
243.11690	3.9
244.08772	0.7
244.12323	1.9
245.09628	7.6
245.13223	2.2
245.15430	0.8
246.10254	1.9
247.08832	1.2
247.11217	12.3
247.13940	0.9
247.14799	0.8
248.11732	1.3
249.12680	1.8
251.10551	1.2
251.14255	1.4
253.10042	2.5
253.12328	1.2
254.10843	2.4
255.11665	5.7
256.08792	0.8
256.12347	5.5
257.09766	1.5
257.13144	6.1
258.10394	1.9
258.13913	2.2
259.11179	3.2
259.14734	2.3
260.11899	0.9
261.12726	2.9
263.10599	1.3
263.14105	1.1
265.09723	0.9
265.12369	4.0
265.15625	0.9
267.11636	5.0
268.12427	2.6
269.09567	2.5
269.13150	5.6
270.10272	1.8
270.13971	3.1
271.11136	3.2
271.14731	9.7
272.12170	1.4
272.15530	4.1
273.12659	2.4
273.16275	3.7
274.13440	0.9
275.14221	0.8
277.15689	0.8
279.11490	1.6
280.12396	1.4
281.13129	3.3
282.10300	2.1
282.13928	4.8
283.11124	4.3
283.14236	4.6
284.11844	5.6
284.15460	2.4
285.12622	7.7
285.16278	2.7
286.13287	1.9
287.14212	2.4
289.12161	0.8
292.12204	1.0
293.13016	1.0
294.13965	0.8
295.11084	2.4
295.14774	2.6
296.11725	1.6
296.15182	1.0
297.12631	4.3
297.16281	8.1
298.13385	3.5
298.16891	1.9
299.14212	9.7
299.17877	2.6
300.15076	4.7
300.18176	1.1
301.12405	1.1
301.15793	4.2
301.19095	1.1
302.16272	1.4
303.13867	0.8
303.17313	1.0
307.11197	1.0
307.14624	2.3
308.11926	1.1
308.15433	0.8
309.12601	2.5
309.16266	2.0
310.13403	4.0
310.16730	1.2
311.14206	5.7
311.17868	1.8
312.14926	2.1
312.18616	3.9
313.15710	5.0
313.19284	1.4
314.16235	0.9
315.13748	0.7
315.17093	0.9
316.18048	0.7
317.15149	1.6
321.12729	1.1
321.16263	1.5
322.13437	1.1
322.17078	1.5
323.14371	1.4
324.15042	0.8
325.12134	1.2
325.15845	14.2
326.16351	2.7
327.17322	4.9
328.14255	1.0
328.18085	1.0
329.15326	1.3
329.18939	2.2
331.16589	0.7
334.13321	0.9
335.14240	1.4
335.17853	1.3
336.14899	1.0
337.15787	1.9
337.19363	1.2
339.17325	3.1
340.18127	7.6
341.18817	1.6
343.16953	5.0
344.17319	0.9
345.16031	1.5
346.16934	0.8
348.14880	0.9
349.15768	1.7
350.16489	1.3
351.21014	0.9
355.16757	0.9
360.18640	0.7
363.17267	2.0
365.18750	1.6
365.22769	1.4
367.16611	1.1
369.18304	1.1
378.19757	1.8
379.20416	2.7
381.18643	1.2
382.18906	0.8
385.27075	1.2
393.22034	5.7
394.22446	0.9
395.23965	0.8
397.21515	2.5
403.20462	2.5
403.28314	2.0
406.18811	1.3
410.18481	1.0
411.23254	9.0
412.23294	1.1
421.21429	15.0
422.21329	1.3
424.20251	1.3
439.22498	100.0
440.22839	13.8
457.23636	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.6
55.01867	2.0
55.05510	5.3
57.03431	2.7
58.69159	0.6
59.04996	1.7
65.03928	1.8
65.57446	0.6
67.05505	31.9
69.03433	6.2
69.07054	2.2
69.71825	2.6
71.04987	1.2
71.43532	0.6
75.00273	0.6
79.05483	7.9
81.03419	9.2
81.07057	12.6
83.04977	3.2
83.08620	5.7
85.02917	5.3
85.06535	2.0
89.55235	0.5
91.05479	16.2
93.07045	5.4
93.92967	0.6
95.04970	6.6
95.08611	5.3
97.02872	1.0
97.06511	1.4
97.10161	1.0
97.82008	0.7
98.23273	0.7
99.04443	0.6
103.05460	1.6
105.07029	11.9
107.04946	1.4
107.08598	6.6
109.06547	3.4
109.10153	21.6
111.04434	0.9
111.08077	3.1
115.05465	2.6
116.06220	0.7
117.07011	4.4
119.08582	10.1
121.06507	2.3
121.10143	2.6
123.04418	0.7
123.08054	1.6
128.06175	4.1
129.07002	8.7
130.07826	0.9
131.08568	7.1
133.06496	1.9
133.10130	5.6
135.08038	5.5
137.09660	0.7
141.07025	3.9
142.07773	5.6
143.08591	6.6
144.05687	1.1
145.06505	3.4
145.10112	6.8
146.07190	1.0
147.08032	2.8
147.11691	2.9
149.09599	1.8
152.06209	1.7
153.06972	3.0
154.07722	2.2
155.08565	7.3
155.10582	0.8
156.09332	3.4
157.06502	5.2
157.10107	6.9
158.07231	1.7
159.08070	5.7
159.11685	2.1
161.05960	0.9
161.09607	4.9
165.06981	4.7
166.07745	3.0
167.08545	3.5
168.09352	1.9
169.06502	1.6
169.10141	7.0
170.07213	0.7
171.08057	6.8
171.11642	5.6
172.08725	0.9
173.05949	0.7
173.09625	7.1
173.11777	4.3
174.92516	0.7
175.07509	1.4
175.11214	4.0
177.09103	0.9
178.07742	2.4
179.08569	6.0
180.09328	2.3
181.06427	2.0
181.10103	4.6
182.07359	1.1
182.10826	0.9
183.08067	4.3
183.11644	4.0
184.08830	1.2
185.09612	5.6
185.13188	1.8
187.07570	5.5
187.11179	2.9
189.09053	2.9
189.12741	1.3
190.07845	0.9
191.08559	1.5
192.09280	2.4
193.10158	5.6
193.12247	9.4
194.07224	1.4
194.10777	2.0
195.08054	4.6
195.11636	4.2
196.08755	3.8
197.09576	6.9
197.13286	2.0
199.11172	8.0
201.09090	8.4
201.12636	1.1
202.07809	1.1
203.08501	3.1
203.10612	1.6
204.09299	1.9
204.82379	0.7
205.08516	1.4
205.10165	1.9
206.07179	0.7
206.10876	1.9
207.08122	1.2
207.11804	3.5
208.08853	1.2
208.12334	1.0
209.09669	4.7
209.13226	3.0
210.10329	1.5
211.11157	5.6
211.13280	8.4
211.14928	1.2
213.09140	1.1
213.12683	2.3
215.08582	1.7
215.10597	1.5
216.09367	1.8
217.10114	2.9
217.12102	1.5
219.08101	1.0
219.11708	3.3
220.08803	0.8
220.12340	1.7
221.09662	8.7
221.13240	2.8
222.10303	2.8
222.13902	0.7
223.11194	5.6
223.14796	1.9
224.08423	1.5
224.11874	0.8
225.09050	1.3
225.12743	2.1
227.10764	1.4
228.09358	0.8
229.10098	2.3
229.12183	1.3
230.10782	1.9
231.11633	1.9
231.13736	0.9
232.08720	1.1
232.12465	1.0
233.09572	2.7
233.13220	2.3
234.10208	1.0
235.11211	4.5
235.14745	0.9
236.11838	1.6
237.09129	0.9
237.12727	6.4
238.13454	1.7
239.08539	1.1
239.10672	9.3
239.14294	3.3
240.11366	1.2
241.12270	2.0
242.10860	0.9
243.11626	1.9
244.12415	1.2
245.09622	1.9
245.13248	2.7
246.10353	3.0
246.14079	1.5
247.11136	2.2
247.14650	1.2
248.11815	1.7
249.12718	3.6
250.13452	1.4
251.14345	4.2
253.09990	1.4
253.12292	2.0
253.15895	1.1
255.11684	1.0
256.12302	1.3
257.13165	2.5
258.10345	0.9
259.11090	4.2
259.14655	1.6
260.12030	1.2
261.12646	3.1
263.10788	1.0
263.14249	2.5
265.12292	2.1
265.15817	1.9
266.10867	1.0
267.11563	1.3
268.12305	1.2
269.13391	1.1
271.11148	2.1
271.14716	1.8
272.11978	1.4
273.12674	5.9
273.15738	1.2
274.13348	1.4
275.10553	1.0
275.14240	4.2
277.12439	1.2
277.15732	1.6
279.11200	0.9
279.13843	1.9
280.12302	1.3
281.13159	1.6
282.10556	1.1
282.13956	1.5
283.10999	1.4
284.11832	1.5
285.12610	1.9
285.16122	0.7
286.13391	1.1
287.14258	3.3
289.12210	2.0
289.15778	1.4
291.13751	2.7
291.16843	0.8
292.12344	1.9
293.13214	1.6
294.13864	1.1
295.11090	1.9
295.14688	2.1
296.11813	2.0
296.15475	0.8
297.12680	2.6
297.16223	2.0
299.14276	1.6
300.14767	0.8
301.15771	1.4
303.13797	1.8
303.17004	0.9
305.12906	1.0
306.13882	0.9
307.11185	1.7
307.14783	2.3
308.11722	0.9
309.12704	2.1
309.15985	0.8
310.13370	1.3
311.10693	0.9
311.14151	1.9
312.14877	1.2
313.15878	1.3
315.13687	1.0
315.17075	0.9
317.15308	0.7
320.11975	1.5
321.12668	3.6
321.16296	1.8
322.13348	1.4
323.14288	2.4
323.17804	0.9
324.11343	0.8
324.15027	1.7
325.15814	2.8
326.16495	1.1
327.17386	1.7
330.13962	0.8
333.12802	1.0
333.16602	0.9
334.13248	1.2
335.14322	3.6
335.17838	1.1
336.14987	1.8
337.15765	3.0
337.19479	0.9
338.16348	0.9
339.13770	1.0
339.17453	2.3
341.15247	1.4
345.12393	1.0
346.13339	0.9
348.15106	1.5
349.12061	1.5
349.15817	1.6
350.12784	1.2
350.16623	1.3
351.13785	0.8
351.17383	2.8
353.15216	2.7
353.19016	1.1
355.16760	1.6
359.13834	0.9
361.15820	1.6
363.13556	2.1
363.17548	2.4
364.18121	1.2
365.15164	1.6
365.19131	1.1
366.15833	1.1
369.18311	1.8
373.15741	0.9
375.21432	1.1
377.15054	1.4
377.19363	0.9
378.15958	2.0
378.20059	1.3
379.16336	3.2
379.20566	3.0
381.14267	1.0
381.18307	2.0
383.16217	2.0
388.18298	1.4
391.16907	2.4
393.22165	7.4
395.20129	1.4
396.16626	1.0
396.21036	1.3
397.17712	2.9
397.22278	4.9
403.20642	2.9
404.21069	0.9
406.19159	2.7
409.17825	1.5
411.23282	11.4
412.23633	1.4
421.21533	21.6
422.21881	3.2
424.20239	4.9
439.22528	100.0
440.22949	11.6
440.28284	0.8
457.23383	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.6
55.01867	2.0
55.05510	5.3
57.03431	2.7
58.69159	0.6
59.04996	1.7
65.03928	1.8
65.57446	0.6
67.05505	31.9
69.03433	6.2
69.07054	2.2
69.71825	2.6
71.04987	1.2
71.43532	0.6
75.00273	0.6
79.05483	7.9
81.03419	9.2
81.07057	12.6
83.04977	3.2
83.08620	5.7
85.02917	5.3
85.06535	2.0
89.55235	0.5
91.05479	16.2
93.07045	5.4
93.92967	0.6
95.04970	6.6
95.08611	5.3
97.02872	1.0
97.06511	1.4
97.10161	1.0
97.82008	0.7
98.23273	0.7
99.04443	0.6
103.05460	1.6
105.07029	11.9
107.04946	1.4
107.08598	6.6
109.06547	3.4
109.10153	21.6
111.04434	0.9
111.08077	3.1
115.05465	2.6
116.06220	0.7
117.07011	4.4
119.08582	10.1
121.06507	2.3
121.10143	2.6
123.04418	0.7
123.08054	1.6
128.06175	4.1
129.07002	8.7
130.07826	0.9
131.08568	7.1
133.06496	1.9
133.10130	5.6
135.08038	5.5
137.09660	0.7
141.07025	3.9
142.07773	5.6
143.08591	6.6
144.05687	1.1
145.06505	3.4
145.10112	6.8
146.07190	1.0
147.08032	2.8
147.11691	2.9
149.09599	1.8
152.06209	1.7
153.06972	3.0
154.07722	2.2
155.08565	7.3
155.10582	0.8
156.09332	3.4
157.06502	5.2
157.10107	6.9
158.07231	1.7
159.08070	5.7
159.11685	2.1
161.05960	0.9
161.09607	4.9
165.06981	4.7
166.07745	3.0
167.08545	3.5
168.09352	1.9
169.06502	1.6
169.10141	7.0
170.07213	0.7
171.08057	6.8
171.11642	5.6
172.08725	0.9
173.05949	0.7
173.09625	7.1
173.11777	4.3
174.92516	0.7
175.07509	1.4
175.11214	4.0
177.09103	0.9
178.07742	2.4
179.08569	6.0
180.09328	2.3
181.06427	2.0
181.10103	4.6
182.07359	1.1
182.10826	0.9
183.08067	4.3
183.11644	4.0
184.08830	1.2
185.09612	5.6
185.13188	1.8
187.07570	5.5
187.11179	2.9
189.09053	2.9
189.12741	1.3
190.07845	0.9
191.08559	1.5
192.09280	2.4
193.10158	5.6
193.12247	9.4
194.07224	1.4
194.10777	2.0
195.08054	4.6
195.11636	4.2
196.08755	3.8
197.09576	6.9
197.13286	2.0
199.11172	8.0
201.09090	8.4
201.12636	1.1
202.07809	1.1
203.08501	3.1
203.10612	1.6
204.09299	1.9
204.82379	0.7
205.08516	1.4
205.10165	1.9
206.07179	0.7
206.10876	1.9
207.08122	1.2
207.11804	3.5
208.08853	1.2
208.12334	1.0
209.09669	4.7
209.13226	3.0
210.10329	1.5
211.11157	5.6
211.13280	8.4
211.14928	1.2
213.09140	1.1
213.12683	2.3
215.08582	1.7
215.10597	1.5
216.09367	1.8
217.10114	2.9
217.12102	1.5
219.08101	1.0
219.11708	3.3
220.08803	0.8
220.12340	1.7
221.09662	8.7
221.13240	2.8
222.10303	2.8
222.13902	0.7
223.11194	5.6
223.14796	1.9
224.08423	1.5
224.11874	0.8
225.09050	1.3
225.12743	2.1
227.10764	1.4
228.09358	0.8
229.10098	2.3
229.12183	1.3
230.10782	1.9
231.11633	1.9
231.13736	0.9
232.08720	1.1
232.12465	1.0
233.09572	2.7
233.13220	2.3
234.10208	1.0
235.11211	4.5
235.14745	0.9
236.11838	1.6
237.09129	0.9
237.12727	6.4
238.13454	1.7
239.08539	1.1
239.10672	9.3
239.14294	3.3
240.11366	1.2
241.12270	2.0
242.10860	0.9
243.11626	1.9
244.12415	1.2
245.09622	1.9
245.13248	2.7
246.10353	3.0
246.14079	1.5
247.11136	2.2
247.14650	1.2
248.11815	1.7
249.12718	3.6
250.13452	1.4
251.14345	4.2
253.09990	1.4
253.12292	2.0
253.15895	1.1
255.11684	1.0
256.12302	1.3
257.13165	2.5
258.10345	0.9
259.11090	4.2
259.14655	1.6
260.12030	1.2
261.12646	3.1
263.10788	1.0
263.14249	2.5
265.12292	2.1
265.15817	1.9
266.10867	1.0
267.11563	1.3
268.12305	1.2
269.13391	1.1
271.11148	2.1
271.14716	1.8
272.11978	1.4
273.12674	5.9
273.15738	1.2
274.13348	1.4
275.10553	1.0
275.14240	4.2
277.12439	1.2
277.15732	1.6
279.11200	0.9
279.13843	1.9
280.12302	1.3
281.13159	1.6
282.10556	1.1
282.13956	1.5
283.10999	1.4
284.11832	1.5
285.12610	1.9
285.16122	0.7
286.13391	1.1
287.14258	3.3
289.12210	2.0
289.15778	1.4
291.13751	2.7
291.16843	0.8
292.12344	1.9
293.13214	1.6
294.13864	1.1
295.11090	1.9
295.14688	2.1
296.11813	2.0
296.15475	0.8
297.12680	2.6
297.16223	2.0
299.14276	1.6
300.14767	0.8
301.15771	1.4
303.13797	1.8
303.17004	0.9
305.12906	1.0
306.13882	0.9
307.11185	1.7
307.14783	2.3
308.11722	0.9
309.12704	2.1
309.15985	0.8
310.13370	1.3
311.10693	0.9
311.14151	1.9
312.14877	1.2
313.15878	1.3
315.13687	1.0
315.17075	0.9
317.15308	0.7
320.11975	1.5
321.12668	3.6
321.16296	1.8
322.13348	1.4
323.14288	2.4
323.17804	0.9
324.11343	0.8
324.15027	1.7
325.15814	2.8
326.16495	1.1
327.17386	1.7
330.13962	0.8
333.12802	1.0
333.16602	0.9
334.13248	1.2
335.14322	3.6
335.17838	1.1
336.14987	1.8
337.15765	3.0
337.19479	0.9
338.16348	0.9
339.13770	1.0
339.17453	2.3
341.15247	1.4
345.12393	1.0
346.13339	0.9
348.15106	1.5
349.12061	1.5
349.15817	1.6
350.12784	1.2
350.16623	1.3
351.13785	0.8
351.17383	2.8
353.15216	2.7
353.19016	1.1
355.16760	1.6
359.13834	0.9
361.15820	1.6
363.13556	2.1
363.17548	2.4
364.18121	1.2
365.15164	1.6
365.19131	1.1
366.15833	1.1
369.18311	1.8
373.15741	0.9
375.21432	1.1
377.15054	1.4
377.19363	0.9
378.15958	2.0
378.20059	1.3
379.16336	3.2
379.20566	3.0
381.14267	1.0
381.18307	2.0
383.16217	2.0
388.18298	1.4
391.16907	2.4
393.22165	7.4
395.20129	1.4
396.16626	1.0
396.21036	1.3
397.17712	2.9
397.22278	4.9
403.20642	2.9
404.21069	0.9
406.19159	2.7
409.17825	1.5
411.23282	11.4
412.23633	1.4
421.21533	21.6
422.21881	3.2
424.20239	4.9
439.22528	100.0
440.22949	11.6
440.28284	0.8
457.23383	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02413	0.6
53.03951	0.6
55.01870	0.8
55.05512	5.5
57.03419	0.7
65.03950	0.6
67.05502	5.0
69.03453	2.5
69.07072	1.2
69.55263	0.5
70.18348	1.8
78.37327	0.6
79.05495	2.7
81.07055	2.6
83.04984	13.7
91.05483	6.5
93.07044	6.5
95.04964	2.9
95.08605	8.6
95.09169	0.8
97.06537	1.1
99.04500	0.6
105.07031	6.4
107.08596	3.0
109.02895	0.8
109.06528	1.1
109.10154	1.2
111.04443	7.4
111.08084	3.5
115.05460	1.6
117.07020	2.2
119.08590	4.2
121.06534	2.7
121.10133	1.2
123.08089	2.0
127.03706	0.5
128.06216	4.0
129.07021	4.4
130.07771	0.8
131.08582	4.5
133.06482	0.9
133.10123	2.2
135.08063	2.0
137.06017	0.7
139.07561	1.5
141.07002	2.3
142.07761	2.0
143.08572	5.1
144.09337	1.3
145.06546	1.0
145.10178	3.3
147.08064	1.3
147.11714	1.4
149.09633	0.6
152.06190	3.4
153.07016	1.2
154.07750	1.6
155.08583	2.8
156.09351	1.1
157.06516	2.2
157.10095	3.5
159.08026	1.7
159.11763	3.5
161.09634	1.8
165.07039	4.4
166.07822	2.1
167.08571	11.1
168.09076	1.0
169.06487	1.1
169.10115	3.4
170.10878	0.8
171.08055	2.8
171.11726	1.5
172.08853	0.8
173.09633	3.3
173.13330	0.6
175.11188	1.3
178.07793	1.8
179.08487	2.8
180.09337	0.7
181.06551	0.6
181.10120	2.4
182.07381	0.6
183.08080	3.3
183.11691	1.6
185.09656	1.7
185.13237	0.8
187.07622	0.8
187.11185	3.9
189.07045	1.3
189.09126	0.7
189.12746	0.7
190.07838	2.0
191.08510	1.9
192.09399	2.5
193.10147	2.4
194.07286	0.8
194.10735	0.7
195.08051	15.8
195.11755	2.2
196.08499	1.4
196.12408	0.9
197.09639	2.1
197.13278	1.6
199.07530	7.3
199.11180	0.7
202.07863	2.1
203.08496	2.7
204.09344	2.8
205.06534	0.7
205.10138	3.6
205.12059	0.8
206.10959	0.8
207.08054	0.8
207.11783	3.8
208.08864	0.6
208.12376	0.9
209.09656	2.6
209.13196	0.9
210.10347	0.7
211.11235	1.4
211.14873	1.2
213.09145	1.3
215.08609	2.9
216.09322	2.1
217.10133	4.0
218.10910	1.4
219.08078	2.0
219.11662	8.5
220.08742	1.6
220.12173	1.0
221.09615	3.0
221.13168	3.1
222.10434	0.7
223.11201	2.7
224.11897	1.6
225.12743	2.6
226.07744	1.0
227.08659	2.1
228.09402	2.1
229.10104	4.3
230.10883	2.3
231.08060	1.6
231.11661	3.7
232.08855	2.4
232.12325	0.8
233.09601	5.9
233.13289	1.2
234.10442	2.7
235.11195	3.8
237.12781	1.4
239.08528	1.9
239.10710	1.2
239.14296	3.9
240.09325	1.8
241.10138	7.5
242.10870	4.5
243.11713	6.3
244.12369	2.1
245.09648	9.1
245.13268	3.2
246.10265	2.4
247.11197	11.0
248.11865	1.4
249.12732	1.3
250.84465	0.6
251.14206	0.7
252.09407	1.7
253.10056	3.6
253.12369	0.8
254.10832	2.9
255.07770	0.7
255.11673	7.6
256.08606	0.9
256.09793	0.7
256.12424	7.3
257.09662	1.6
257.13275	10.5
258.10236	0.9
258.14096	2.8
259.11221	4.3
259.14771	3.4
260.11969	1.3
261.12720	2.1
261.16183	0.8
263.10974	0.7
263.14279	1.3
265.10019	1.4
265.12314	1.4
266.10800	1.1
267.11630	6.9
268.09647	0.7
268.12424	4.1
269.09744	3.8
269.13275	7.0
270.10382	2.7
270.14026	4.6
271.11261	3.0
271.14844	15.5
272.12216	1.2
272.15527	7.8
273.12720	3.1
273.16354	5.2
274.13177	0.6
274.17065	1.6
275.14322	0.8
277.12411	0.7
279.11661	1.7
280.12479	2.1
281.09811	1.1
281.13235	5.1
282.10739	1.1
282.14050	5.1
283.11227	4.7
283.14807	6.4
284.11957	5.6
284.15576	4.5
285.12756	7.4
285.16382	5.0
286.13507	2.0
286.16806	0.6
287.10974	0.6
287.14270	1.9
288.15073	0.7
291.11673	0.9
292.12357	1.1
293.13254	1.8
294.14053	2.1
295.11130	2.4
295.14804	2.1
296.11954	2.2
296.15509	2.2
297.12769	6.1
297.16406	12.2
297.29770	0.7
298.13522	4.6
298.17026	2.6
299.14319	10.1
299.17923	5.0
300.15027	4.6
300.18222	0.8
301.12573	1.0
301.15860	2.9
301.19424	1.4
305.13025	0.6
306.14069	0.7
307.11346	1.0
307.14890	4.0
308.15594	1.0
309.12692	1.9
309.16437	2.7
310.13547	4.6
310.16937	1.1
311.14313	5.9
311.17963	3.9
312.15024	2.4
312.18747	7.6
313.15839	4.5
313.19373	1.9
314.16516	1.1
315.17441	1.4
317.15616	1.1
321.12958	0.8
321.16406	2.2
322.13541	1.2
322.17056	1.8
323.14200	2.2
323.17892	1.8
324.14951	1.5
325.15887	16.4
325.19687	1.2
326.16333	2.8
327.13794	1.1
327.17346	5.5
328.14453	0.8
328.18057	1.0
329.15454	1.2
329.18787	3.2
332.15506	0.7
333.16467	0.7
334.13470	0.7
335.14346	1.3
336.14963	1.1
336.18637	0.8
337.15753	1.6
337.19672	1.5
338.16885	0.7
339.17447	3.5
340.18204	7.9
341.15256	0.7
341.18930	2.3
343.16995	5.0
349.12283	0.7
349.16013	1.9
350.16534	1.0
351.13675	0.8
351.17484	2.2
355.16931	0.7
361.19479	0.7
363.17511	2.1
364.17999	0.8
365.18747	0.8
365.22693	1.3
367.17004	0.7
369.18542	1.0
375.21204	1.0
378.19760	2.2
379.20694	2.3
381.18604	1.0
391.16840	0.9
392.17596	0.7
393.22128	5.1
394.22488	0.7
396.21017	0.9
397.21997	2.6
403.20523	2.0
406.19324	0.9
409.17990	1.4
411.23251	14.5
412.23495	0.7
421.21570	14.0
422.22086	1.7
424.20282	1.4
439.22687	100.0
440.23016	11.7
457.23801	8.6
458.24234	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.5
57.03437	1.2
61.02943	0.6
62.24689	0.4
67.05516	0.5
69.03437	1.7
69.07073	4.7
70.76955	0.9
71.01364	0.5
73.02921	2.3
76.04787	0.4
76.12022	0.4
81.07075	0.7
85.02908	2.6
97.02907	1.9
111.08128	0.5
111.11736	1.8
112.68315	0.4
115.03932	0.9
127.03971	0.9
129.12785	3.2
133.04979	1.4
133.10150	0.5
139.11131	0.4
141.12718	0.5
145.05011	0.9
163.06017	0.4
185.04294	0.4
202.96379	0.4
203.05325	0.9
277.14352	0.6
369.19116	0.8
439.23117	100.0
440.23471	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2304
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
56.96560	1.0
69.07041	0.3
69.98029	0.9
69.98422	0.6
70.88443	0.3
73.02927	0.4
81.19743	0.3
83.01090	0.3
85.02944	0.3
95.01067	0.6
96.01868	0.4
97.02700	0.6
102.39794	0.3
103.08147	0.2
113.02147	0.6
118.96525	0.3
127.03740	0.3
131.08553	0.3
135.89473	0.3
141.05299	0.5
145.04951	0.4
157.04752	0.4
169.04726	1.0
183.03384	0.3
185.04277	0.3
186.05025	0.4
195.06984	0.3
201.03778	0.6
203.05273	2.1
207.13515	0.4
212.27998	0.4
213.07918	1.4
215.10277	0.3
230.45288	0.4
231.09064	1.3
257.07019	1.2
259.16678	2.9
261.18341	2.2
275.08026	0.6
277.17746	2.7
356.52252	0.4
369.18808	6.5
370.19110	0.4
439.23016	100.0
440.23425	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2478
Annotation	Isovouacapenol C
Peak:m/z	Relative Intensity
55.01877	0.8
55.05516	2.3
57.07085	1.4
59.05020	0.7
61.32079	0.3
61.87897	0.4
65.03956	0.5
67.05507	3.8
69.03429	2.3
69.07080	2.2
69.67974	0.3
71.05002	0.9
72.99236	0.3
77.53334	0.3
79.05493	6.2
79.05897	0.5
81.03434	0.7
81.07059	20.4
83.05007	1.4
83.08621	0.7
85.06568	0.8
86.09743	1.7
91.05478	8.7
91.05988	0.6
93.07043	7.3
95.04970	2.9
95.08598	4.4
97.02895	3.1
97.06567	1.4
99.04444	2.0
103.05508	0.8
105.07033	11.7
107.04960	0.7
107.08598	6.2
109.06520	28.7
109.10152	2.2
111.04412	2.0
111.08117	1.7
115.05489	0.9
116.06290	0.4
117.07005	4.9
119.08577	8.5
121.06503	2.3
121.10149	3.1
123.04446	0.9
123.08077	2.8
125.05982	0.7
125.09718	0.4
128.06203	2.2
129.07007	4.7
130.07822	0.7
131.05057	0.4
131.08559	8.0
133.06548	1.1
133.10135	4.6
135.08052	2.9
135.11734	0.6
137.02484	0.4
137.05975	13.9
137.09627	1.0
138.06294	0.7
139.07561	0.6
141.06996	3.1
142.07793	2.5
143.08556	8.8
143.71045	0.4
144.09377	1.3
145.06519	2.9
145.10117	9.7
146.10548	0.7
147.08043	4.8
147.11690	2.2
149.06073	0.5
149.09628	2.7
151.07631	0.7
153.07086	1.1
154.07794	1.8
155.08554	9.9
156.09384	1.6
157.06572	0.6
157.10126	10.5
157.11392	0.6
158.10809	1.2
159.08058	2.8
159.11687	5.6
160.12294	0.6
161.06009	0.6
161.09610	2.4
161.13335	0.7
163.07568	2.3
163.11212	0.8
165.07062	1.3
165.09151	0.6
166.07843	0.6
167.08504	2.8
168.09348	1.1
169.06444	0.6
169.10136	10.0
169.11490	0.6
170.10902	1.4
171.08168	1.5
171.11685	4.5
172.08774	0.4
172.12491	0.5
173.06091	0.5
173.09612	4.5
173.13216	2.1
175.07655	1.5
175.11282	1.3
175.14877	0.5
177.09100	0.8
178.07855	1.0
179.08655	1.7
180.09398	0.9
181.06471	0.4
181.10124	5.1
182.10898	1.7
183.08229	1.2
183.11679	6.0
183.13126	0.5
184.12415	0.8
185.09564	2.0
185.13271	3.2
187.07591	0.7
187.11194	3.6
187.14822	2.1
189.09227	1.1
189.12849	0.5
191.07091	0.9
191.08627	0.8
192.09407	0.9
193.08614	0.8
193.10251	3.1
193.11932	0.4
194.10988	1.5
195.08095	0.7
195.11711	5.0
196.08932	0.6
196.12560	1.7
197.09637	1.8
197.13255	11.8
198.13821	0.4
199.11270	1.5
199.14943	1.6
200.11790	0.4
200.15553	0.5
201.09222	0.7
201.12720	0.7
201.16373	2.9
202.17152	0.7
203.08772	0.5
203.10675	0.5
203.14397	0.4
204.09389	0.8
205.10249	1.5
205.12111	0.4
206.10986	0.8
207.08405	0.4
207.10104	0.7
207.11780	2.7
208.08925	0.4
208.12514	0.9
209.08057	0.7
209.09824	1.2
209.13246	5.6
210.13977	1.3
211.11345	1.6
211.14819	11.3
212.15581	22.5
213.09172	0.5
213.12881	0.9
213.16170	3.8
215.08727	0.6
215.10789	0.7
215.14464	1.3
217.10364	0.6
219.11674	1.9
220.12427	1.0
221.09714	0.5
221.13321	2.8
222.10272	0.6
223.11366	1.6
223.14803	3.4
225.09123	0.5
225.12863	1.5
225.16400	0.6
227.10738	0.8
227.14432	1.2
229.10260	0.5
229.15909	3.1
230.16747	1.2
231.11909	1.0
231.17596	0.5
232.12535	0.5
233.09566	0.4
233.13280	0.8
234.13939	0.7
235.11197	1.1
235.14822	2.7
236.15631	0.5
237.12831	1.1
237.16283	2.3
238.13396	0.4
239.10803	0.6
239.14336	2.1
241.12379	0.5
241.16078	1.0
244.12410	0.6
245.13319	0.8
247.11252	2.0
247.14909	2.5
248.12146	0.4
248.15671	0.7
249.12878	1.0
249.16434	1.8
251.10831	0.7
251.14458	1.2
251.18021	0.9
253.16086	0.9
253.19615	0.7
255.13716	0.8
255.17589	0.9
259.14951	0.8
263.14365	1.2
263.18082	0.7
265.12442	1.5
265.15845	2.3
266.16650	0.7
267.17624	0.7
267.21103	0.5
273.16251	0.5
275.14359	0.7
275.18057	0.6
277.16040	1.4
277.19638	1.1
281.12262	0.5
281.15536	1.0
283.17136	1.3
287.14651	0.7
287.18036	0.8
305.15738	0.7
305.19250	1.4
323.16519	1.0
323.20105	0.7
341.17490	0.5
343.17197	0.5
357.22565	0.4
361.22006	0.5
375.23367	0.8
393.20493	0.8
403.18643	0.9
403.23102	1.2
411.25592	1.3
421.24329	10.4
422.24585	0.9
439.24991	100.0
440.25345	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2478
Annotation	Isovouacapenol C
Peak:m/z	Relative Intensity
53.03945	0.9
55.01869	0.9
55.05507	2.2
57.03425	0.7
57.07069	0.4
59.04993	0.4
59.36541	0.4
64.12434	0.3
65.03941	0.9
66.50002	0.3
67.01866	0.4
67.05505	6.0
69.03429	3.5
69.07069	2.8
69.71959	0.6
69.72365	0.9
71.04646	0.4
71.04974	1.7
77.03914	0.4
79.05051	0.6
79.05492	6.7
81.03400	1.3
81.07056	15.2
82.07378	0.5
83.04984	1.1
83.08615	1.0
85.02893	0.6
85.06540	0.6
91.05477	14.1
93.07045	7.7
95.04967	2.3
95.08604	6.3
95.09541	0.3
95.59551	0.3
96.08915	0.3
97.02892	3.6
97.06533	3.2
99.04448	5.3
103.05471	1.1
105.04498	0.3
105.07026	14.3
106.07376	0.4
107.04958	1.1
107.08591	6.7
109.06519	10.3
109.10167	4.4
111.04439	2.9
111.08061	3.1
115.05437	1.7
117.07014	6.2
119.04934	1.5
119.08575	13.8
120.08878	0.3
121.06516	2.6
121.10137	3.7
123.04469	0.6
123.08064	4.6
123.11701	1.0
125.05965	0.7
125.09651	1.0
127.03935	0.9
128.06203	5.1
128.07097	0.5
128.12776	0.3
129.07005	7.6
130.07851	1.6
131.04945	0.6
131.07571	0.4
131.08562	8.4
132.08922	0.4
133.06462	2.0
133.10123	16.3
134.10457	0.5
135.08061	3.1
135.11678	1.4
137.05971	14.4
137.09575	1.9
138.06300	0.3
139.07541	0.8
139.11165	0.3
141.06987	3.3
142.07776	6.7
143.08559	14.7
144.09283	1.0
145.06483	1.8
145.10120	7.9
146.07245	0.8
147.08046	21.2
147.11682	3.6
148.08395	1.0
149.05959	0.5
149.09616	1.8
149.13205	0.4
151.07530	1.4
151.11169	0.6
153.07016	1.5
153.09123	1.1
154.07788	1.0
155.06032	0.4
155.08556	5.6
156.09312	1.8
157.06493	0.8
157.10127	12.5
158.07274	0.7
158.10631	0.6
159.08044	2.7
159.11687	4.0
160.08745	0.7
161.09615	20.2
161.13310	1.0
162.10011	0.9
163.11211	1.1
165.07047	1.4
165.09114	2.3
165.93637	0.3
166.07745	0.8
167.08534	2.2
168.09383	0.8
169.06516	0.4
169.10124	4.7
170.10895	1.0
171.08037	2.0
171.11687	5.9
172.08800	0.4
173.09627	4.2
173.11967	0.5
173.13216	2.3
175.07597	0.8
175.11185	11.0
176.11554	0.8
177.09140	0.9
178.07791	0.7
179.08531	1.9
179.10831	0.4
180.09355	1.0
181.06602	0.3
181.08549	0.5
181.10088	3.6
182.10907	1.1
183.08081	0.9
183.11705	4.4
184.08774	0.7
184.12222	0.3
185.09599	4.2
185.13179	1.7
186.10153	0.5
187.07576	0.6
187.11162	3.6
187.14821	0.6
189.09103	9.4
189.12662	2.1
190.09663	0.3
191.03423	0.4
191.08704	0.4
191.10692	0.7
192.09390	1.1
193.10147	2.6
193.12062	0.5
194.10855	0.8
195.08055	0.8
195.10040	0.6
195.11681	3.9
196.08879	0.4
196.12366	0.5
197.09607	1.9
197.13263	2.3
198.10437	0.3
198.13994	0.4
199.11185	2.8
199.14830	1.3
201.09094	0.5
201.12726	2.2
203.08751	0.4
203.10596	1.5
204.09399	0.5
205.10182	1.0
205.12190	0.7
206.10936	0.8
207.10136	30.3
208.08806	0.5
208.10545	1.4
208.12387	0.5
209.09633	0.9
209.13217	2.9
210.10307	0.4
211.11240	2.0
211.13170	0.5
211.14880	1.0
212.11609	0.3
212.15652	0.3
213.09164	0.4
213.12715	2.3
213.16301	0.4
215.08768	0.4
215.10652	1.4
215.14359	1.4
217.10162	1.0
217.12305	0.9
218.10881	0.7
219.11737	1.5
220.12561	0.5
221.09642	0.4
221.11400	2.2
221.13637	1.6
222.14053	0.5
223.11287	1.5
223.14787	2.6
224.11940	0.6
225.12747	1.7
225.16432	1.2
227.10690	0.7
227.14326	1.5
229.12279	1.3
231.11690	0.6
231.13759	0.7
232.12488	0.5
235.11292	0.6
235.14978	1.4
237.12764	0.8
237.16357	2.7
238.17093	0.6
239.14299	0.8
239.17912	0.6
241.12219	0.7
241.15843	0.8
243.13878	0.4
245.13263	0.7
245.15526	0.5
247.14960	2.0
248.12025	0.4
248.15569	1.0
249.16470	0.9
251.14293	0.9
251.17917	0.6
253.15961	0.9
253.19382	0.4
255.13895	0.3
255.17355	0.7
257.15594	0.4
263.18082	0.8
265.15897	3.7
266.16617	0.9
267.13766	0.4
267.17358	1.0
267.20978	0.4
277.19540	1.3
281.15582	0.4
281.19131	0.7
283.16913	1.1
287.17972	0.5
291.17697	0.4
293.19058	0.6
295.20541	1.9
305.19043	1.3
313.21597	0.4
323.19965	2.6
341.20981	2.0
375.23395	0.4
379.22672	0.5
383.19745	0.3
393.24460	0.6
397.23587	0.3
403.22739	1.7
411.25485	0.7
421.23758	9.3
422.24118	0.9
439.24808	100.0
440.25201	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2482
Annotation	Isovouacapenol C
Peak:m/z	Relative Intensity
53.03944	0.8
55.01864	0.4
55.05515	1.8
57.03436	0.4
57.07089	0.5
65.03928	0.4
67.05229	0.2
67.05511	2.8
67.68344	0.2
69.03432	1.3
69.07081	2.1
71.04987	1.6
71.31714	0.3
79.05489	3.5
81.03416	0.5
81.07055	8.7
83.04982	1.2
83.08611	0.6
85.06539	0.6
91.04951	0.5
91.05482	5.3
93.07046	4.5
95.04976	1.6
95.08610	3.9
97.02901	2.3
97.06529	1.3
99.04450	6.1
105.06374	0.4
105.07032	6.3
107.08594	4.2
109.02889	0.5
109.06516	19.5
109.10156	2.2
111.04439	1.0
111.08054	1.1
115.05463	1.0
117.07010	3.7
118.07341	0.3
119.08575	7.6
121.06488	1.5
121.10135	2.2
123.08054	2.1
123.11674	0.4
125.06042	0.3
127.03921	1.3
128.06221	1.6
129.07007	3.5
130.07800	0.6
131.08571	5.4
133.06485	0.6
133.10143	3.8
135.08076	2.2
135.11722	0.8
136.28445	0.3
137.05974	5.8
137.09651	1.0
139.07562	0.6
141.06975	2.8
142.07787	2.1
143.08557	6.1
144.09280	0.4
145.06506	1.2
145.10109	5.6
146.10425	0.4
147.08023	3.5
147.11694	1.8
149.02338	0.7
149.09636	0.8
150.02721	0.4
153.06970	0.9
154.07771	0.8
154.10309	0.3
155.08548	6.6
156.09351	1.4
157.06537	0.6
157.10120	8.4
158.10689	0.5
159.08032	1.6
159.11688	3.7
161.09602	2.6
161.13269	0.5
163.07571	0.9
163.11163	0.4
165.06972	1.0
165.09158	0.6
166.07748	0.8
167.08539	2.3
168.09329	1.3
169.10121	6.0
170.10828	0.6
171.08040	0.9
171.11661	4.1
172.12320	0.4
173.09622	4.6
173.13200	2.1
175.07538	0.6
175.11214	1.3
177.09087	0.7
178.07887	0.5
179.08548	2.6
180.09294	1.3
181.10100	4.8
182.10872	1.2
183.08090	0.7
183.11685	6.9
184.12259	0.9
185.09634	1.1
185.13268	1.9
187.11186	2.3
187.14833	0.9
189.09142	0.8
189.12733	0.5
191.07013	0.5
191.08598	0.6
192.09326	1.2
193.10126	2.9
194.10957	1.5
195.11678	5.8
195.13324	0.5
196.12418	1.4
197.09660	1.0
197.13243	5.4
198.13873	0.5
199.11166	1.4
199.14882	1.0
201.09129	0.5
201.12727	2.7
201.16441	1.0
202.07834	0.3
202.17145	0.5
203.08551	0.4
203.10603	0.3
203.14349	0.4
204.09305	0.6
205.10110	1.3
205.12096	0.5
206.10872	1.3
207.09941	1.8
207.11807	3.1
208.12419	0.9
209.07956	0.4
209.09735	0.6
209.13245	4.9
210.10292	0.4
210.13930	0.7
211.11346	1.8
211.14816	6.4
212.15582	3.4
213.12749	1.6
213.16377	1.4
215.14276	0.5
217.10095	1.3
218.10956	0.6
219.11732	1.8
220.12491	0.6
221.13234	3.6
222.14189	0.6
223.11275	1.2
223.14824	3.8
224.15401	0.7
225.12778	2.1
225.16362	1.1
227.14326	1.4
229.12379	0.4
229.15907	0.9
229.23492	0.5
230.10931	0.4
230.13019	0.6
230.16618	1.1
231.11719	1.2
232.12451	1.4
233.13272	2.5
234.13959	0.8
235.14847	1.9
236.15527	0.8
237.12750	1.1
237.16373	2.1
238.08125	0.4
238.17148	0.6
239.14250	1.2
239.17982	0.5
241.12238	0.7
241.16000	0.4
243.11603	0.5
245.13278	1.2
246.13994	0.9
247.14803	5.4
248.15544	2.9
249.12675	0.5
249.16357	3.1
250.13531	0.3
250.16927	0.4
251.14406	0.9
251.18013	1.1
252.14931	0.3
253.15878	0.9
253.19379	0.5
255.17430	0.6
259.14859	0.4
260.15616	0.4
261.16281	1.4
262.17084	0.5
263.14304	0.7
263.17923	1.0
265.15915	3.7
265.19498	1.5
266.16559	1.3
266.20242	0.5
267.17505	0.6
267.21066	0.9
273.16333	1.0
275.14429	0.3
275.17941	2.0
276.18637	1.6
277.16232	0.5
277.19440	3.2
278.20050	0.4
279.17447	1.0
281.15311	0.7
283.16940	1.0
287.18018	0.7
291.17456	0.3
293.18915	1.4
294.19727	0.9
295.20410	1.3
305.18970	2.0
306.19720	0.3
313.15897	0.3
315.17404	0.3
323.20010	1.2
329.17624	0.3
351.19745	0.5
367.20044	0.4
379.18799	0.6
379.23029	0.4
385.21750	0.5
393.24268	1.0
395.51593	0.4
403.22662	4.7
404.23007	0.4
411.25131	0.6
421.23755	11.6
422.24072	1.5
439.24753	100.0
440.25101	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.8
55.05514	32.3
67.05507	82.3
69.03432	11.9
69.07075	19.7
70.56087	25.1
79.05496	30.8
81.03432	14.9
81.07056	54.6
83.04993	57.0
83.08613	13.5
85.02926	12.5
91.05483	56.4
93.07030	54.6
95.04978	23.6
95.08616	79.5
97.06555	10.2
100.06664	7.2
105.07057	69.9
107.04976	12.8
107.08591	53.1
109.06532	18.2
109.10162	100.0
111.04473	19.8
111.08100	32.5
117.07072	15.4
119.08585	93.1
121.06519	8.1
121.10176	22.5
123.08098	30.7
123.11746	13.3
128.06274	10.2
129.07005	23.2
131.08536	39.2
133.06537	13.6
133.10133	42.9
135.08081	22.6
137.09598	75.6
139.07532	14.6
141.06921	9.3
142.07767	10.5
143.08612	32.5
145.10161	34.3
147.08064	13.5
147.11716	31.0
149.09715	10.8
151.11209	14.8
155.08591	28.2
156.09346	17.3
157.06516	14.9
157.10127	48.6
159.08109	25.6
159.11713	31.3
161.09657	21.9
161.13319	9.2
163.11177	10.5
165.07094	10.3
167.08554	19.0
169.10175	33.4
171.08139	15.1
171.11708	26.5
173.09686	16.8
173.13220	14.4
175.11240	30.1
177.09064	10.4
179.08565	19.4
180.09418	15.7
181.06586	10.0
181.10144	19.6
183.11731	15.3
185.09619	14.5
185.13252	18.4
187.11200	18.5
187.14911	10.0
189.12761	31.0
193.10112	16.8
193.12283	18.1
194.10992	10.8
195.08195	10.6
195.11766	26.9
197.09636	21.9
197.13318	29.1
199.11270	13.6
199.14795	16.4
201.12750	16.9
207.11748	29.7
209.09657	15.4
209.13319	27.2
211.11237	19.3
211.13168	15.4
211.14980	14.1
213.12814	13.4
214.09894	9.6
215.10687	13.4
217.10017	7.9
219.11664	12.5
221.13345	26.9
223.11301	12.1
223.14877	11.8
225.12787	13.9
227.10808	12.0
227.14334	16.5
235.14966	12.8
237.12793	13.7
239.14314	12.2
245.15581	12.0
249.16469	12.2
263.14484	16.2
263.17947	15.5
267.13846	10.3
276.15198	9.9
277.15579	10.5
279.13800	7.9
281.15396	24.2
289.15829	11.9
297.18585	10.1
303.17255	10.2
307.16879	13.0
315.19879	15.7
329.21146	28.7
375.22992	12.0
385.21515	19.2
403.22382	88.6
403.27084	12.2
421.22922	87.7
421.27924	35.6
422.23788	11.4
439.22510	49.9
439.29184	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93925	2.8
53.03944	7.0
55.01873	5.4
55.05510	24.7
57.03428	5.2
59.63177	2.7
62.25152	3.4
62.50795	3.4
65.03930	5.7
66.77686	3.4
67.05508	84.0
69.03428	12.5
69.07066	13.1
69.27704	21.3
71.04991	5.7
79.05492	31.4
81.03424	21.7
81.07059	41.7
83.04984	26.1
83.08609	9.1
85.02911	10.8
85.06561	4.9
91.05486	45.1
93.07044	50.9
95.04984	19.4
95.08608	80.9
97.02901	19.8
97.06535	6.6
103.05453	3.6
105.07026	63.6
105.07674	5.2
107.04959	8.0
107.08594	39.1
109.06532	11.8
109.10161	57.6
111.04439	16.9
111.08073	21.5
113.05994	3.5
115.05460	8.4
117.07010	12.9
119.04947	8.9
119.08578	54.1
121.06520	27.3
121.10160	20.3
123.08069	31.3
123.11711	5.5
125.05991	3.5
125.09607	6.7
128.06236	11.2
129.07027	21.5
130.07814	4.5
131.08563	38.3
133.06522	16.4
133.10135	27.6
134.10548	2.9
135.08052	14.9
135.11702	9.8
137.06003	3.7
137.09601	5.1
139.07573	9.5
141.07014	12.9
141.09140	8.6
142.07803	16.4
143.08589	35.3
144.09319	9.3
145.06508	16.3
145.10130	38.2
146.07262	5.2
147.08072	15.3
147.11656	18.9
149.09637	9.9
153.07013	5.6
154.07819	5.3
155.08546	23.6
155.10661	5.6
156.09349	13.4
157.06497	12.3
157.10143	58.3
158.10855	3.7
159.08075	24.3
159.11710	37.5
161.05994	5.9
161.09569	22.4
161.13271	6.0
163.11180	8.0
165.07002	12.1
166.07755	12.4
167.08542	17.6
168.09361	4.7
169.10104	29.7
170.10899	5.4
171.08063	11.1
171.11702	28.9
172.12334	4.1
173.09645	12.8
173.11740	9.2
173.13306	11.5
175.07599	5.1
175.11136	17.6
178.07773	4.0
179.08574	13.0
180.09344	8.6
181.10115	23.8
182.10898	6.2
183.08032	5.4
183.11691	32.8
184.08685	3.6
184.12407	6.6
185.09616	14.9
185.13249	16.3
186.10257	3.7
187.07611	6.4
187.11209	12.7
189.12743	11.9
192.09288	5.9
193.10165	19.0
193.12152	24.0
194.10896	7.7
195.08060	13.5
195.11703	31.3
196.08884	5.6
196.12387	4.4
197.09607	22.3
197.13261	20.0
198.13887	5.9
199.11226	17.1
199.14853	9.8
200.15398	4.2
201.09183	4.9
201.12808	9.9
203.08553	5.2
205.10191	9.4
206.10944	9.5
207.08057	8.0
207.11703	19.5
208.12492	8.1
209.09651	37.7
209.13181	24.7
210.10326	9.6
210.13939	3.7
211.11145	10.1
211.13300	16.0
211.14899	9.0
213.09125	3.9
213.12807	13.5
215.10626	5.8
217.10158	7.4
218.10876	4.4
219.11678	7.1
220.08890	5.5
220.12505	8.4
221.09615	9.7
221.13274	23.2
222.10353	7.3
222.14006	3.8
223.11169	19.9
223.14813	8.2
225.09126	8.9
225.12791	12.9
225.16313	8.3
227.10707	20.2
227.14320	10.1
230.10899	4.0
232.12444	4.5
233.09572	7.7
233.13286	5.3
234.10408	6.1
235.11183	15.0
235.14812	16.2
236.11696	4.7
237.12756	17.7
237.16428	9.4
239.14169	6.6
241.12213	7.6
241.15926	3.7
243.13867	4.2
245.13412	6.9
246.14183	4.0
247.11197	7.9
248.11954	7.3
248.15683	4.0
249.12766	17.9
249.16469	4.8
251.14268	7.6
251.18086	4.7
253.12331	8.5
253.15860	9.1
255.13794	7.8
261.12811	8.8
261.16357	4.5
262.13605	4.1
263.14285	39.3
264.14865	6.9
265.12521	3.1
265.15915	9.4
267.13724	6.9
273.16284	3.7
275.14185	7.5
277.12192	4.4
279.13943	4.4
279.17398	6.9
281.15451	30.3
282.16003	4.0
283.17017	10.5
287.14331	4.9
289.15771	14.2
291.17447	5.3
295.20535	4.9
297.18475	14.2
299.16467	14.1
303.17542	4.1
304.18085	5.5
305.18930	4.7
307.16858	18.6
322.19376	4.1
323.20032	9.4
325.17905	6.6
327.19742	5.0
341.21140	15.4
357.22186	4.3
361.21411	3.2
375.23083	19.3
377.21112	14.0
385.21622	28.1
386.21793	3.4
393.24170	25.9
395.22043	8.5
403.22656	99.0
403.27768	5.3
404.22748	15.8
421.23685	100.0
422.24109	11.2
439.25250	40.4
440.26358	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95890	0.8
53.03946	2.7
55.01882	1.5
55.05512	15.4
56.05855	0.8
56.48992	0.9
57.03426	8.7
59.04996	4.6
60.18582	0.8
65.03938	3.5
67.05503	100.0
68.05827	1.4
69.03429	2.3
69.07066	5.0
71.05006	5.3
71.31110	1.1
74.51544	0.7
76.69835	0.7
78.52847	0.8
79.05493	15.0
81.03419	29.3
81.07054	27.0
83.04980	14.6
83.08618	13.7
85.02905	18.0
85.06548	3.6
87.04507	0.9
90.87527	0.8
91.05473	24.3
93.07049	15.8
95.04966	14.9
95.08595	11.5
97.02872	1.6
97.06526	2.6
97.10172	2.9
98.67554	0.8
99.08109	1.0
101.08909	0.7
105.04523	0.7
105.07026	15.0
107.04971	2.7
107.08579	6.7
109.06532	2.6
109.10153	67.9
110.10489	1.9
111.04423	4.9
111.08086	11.4
113.06009	2.6
114.76095	0.9
115.05462	1.7
117.07043	1.5
119.08578	15.5
119.09344	1.3
121.06552	2.8
121.10165	5.4
123.08062	2.8
123.11713	1.1
125.09612	1.4
128.06204	1.7
129.07027	5.9
131.08588	5.2
133.06474	1.4
133.10123	6.5
135.08009	1.4
135.11702	0.9
137.06000	2.0
137.09616	5.0
139.07547	1.7
142.07799	1.8
143.08519	1.9
145.10139	2.4
147.08057	2.6
147.11655	8.1
149.09644	3.5
149.13300	0.8
153.07156	0.8
154.07826	1.2
155.08568	1.8
155.10631	5.5
156.09364	0.8
157.10127	7.5
159.08078	1.9
159.11723	1.1
161.09641	1.0
165.07014	1.2
165.12793	1.6
166.07671	0.8
167.08595	1.2
168.09450	0.9
169.10133	2.6
173.09616	1.2
173.10023	1.0
173.11736	20.3
175.11176	9.0
179.08583	1.1
180.09399	0.9
181.10141	3.0
183.11691	2.5
185.09610	1.1
192.09215	1.5
193.10301	2.0
193.12227	35.3
194.10883	1.1
194.12566	1.2
195.08092	1.0
195.11751	1.5
197.09673	2.7
197.13287	1.6
203.08804	1.0
204.77180	0.8
205.10132	1.2
207.11540	0.9
209.13304	1.0
211.11430	1.2
211.13277	37.1
212.13658	1.6
215.08624	1.3
217.10167	1.6
218.10811	1.0
219.11588	1.4
229.10130	2.2
229.14384	1.8
230.10822	0.9
231.11627	1.9
233.13319	1.4
241.10150	2.6
242.10861	4.0
243.11717	3.1
244.12440	1.4
247.11081	1.3
253.10072	1.7
255.11711	3.4
256.12466	4.0
257.13144	5.5
258.14014	1.4
266.10767	0.9
267.11743	3.2
267.15985	1.7
268.12396	3.2
269.09525	1.0
269.13214	2.9
270.14038	2.0
271.11295	0.7
271.14719	4.4
272.15616	1.7
273.16104	1.0
275.14487	1.1
280.12326	1.1
281.13208	2.4
282.14084	3.5
283.11902	1.2
283.14594	4.7
284.12094	1.4
284.15494	1.5
285.12799	2.8
285.16364	3.0
287.14240	0.9
295.11481	1.0
295.14819	1.1
296.15701	1.2
297.12811	2.0
297.16406	5.7
298.13507	1.8
298.16980	2.4
299.14282	4.3
299.17487	1.4
300.15088	2.6
301.15839	2.0
306.14081	1.1
307.14719	1.5
309.12518	1.0
309.16174	1.1
310.13681	1.9
311.14395	1.6
311.17908	2.3
312.18768	1.5
313.15881	2.0
323.14395	0.9
325.15826	7.0
327.17490	2.4
329.19101	1.8
339.17297	2.0
340.18338	6.0
341.18817	1.6
363.17480	1.2
393.21808	1.4
397.21786	4.0
411.23163	5.6
421.21326	4.9
439.22424	25.2
439.26938	43.5
440.22714	2.9
440.28036	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	17.8
56.68880	5.6
57.07088	9.3
67.05505	42.2
69.07064	39.2
69.26272	15.3
69.26692	21.1
79.05488	21.5
81.07053	75.3
83.08611	12.1
89.06035	10.2
91.05469	23.6
92.17391	6.6
93.07047	57.6
95.08604	86.8
95.96406	6.0
97.06532	7.1
97.10178	13.2
105.07039	45.7
107.08591	81.8
109.10152	100.0
111.08085	11.8
115.22546	5.7
115.51366	4.8
117.07019	12.1
119.08578	59.2
121.06487	5.6
121.10142	52.2
123.11694	27.1
129.07040	6.4
131.08582	22.9
133.10164	41.4
135.11694	22.9
137.13240	10.4
141.07004	6.3
143.08559	16.6
145.10112	30.5
147.11703	44.3
149.09579	8.0
149.13269	15.9
151.11124	9.8
155.08560	13.6
157.10124	25.2
159.11653	38.8
161.13271	19.6
163.11194	6.3
163.14761	11.0
169.10060	6.3
171.11687	23.1
173.13271	20.6
175.14815	17.5
183.11633	8.9
185.13272	21.9
187.14813	13.6
195.11845	6.1
197.13306	11.1
199.14838	12.6
201.16415	16.9
203.17940	12.8
211.14923	8.1
213.16388	12.9
215.17986	9.6
217.19405	6.1
225.16405	9.8
227.17868	12.5
241.19479	9.7
264.85669	5.9
281.22531	16.9
397.46033	6.1
402.74161	6.1
421.30615	58.8
422.31369	12.6
439.36111	70.7
440.35910	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59178	6.3
57.66204	6.5
60.95822	5.8
67.05498	25.4
69.07071	14.8
79.05502	12.9
81.07053	40.8
83.04977	12.2
83.08616	11.3
91.05443	14.8
93.07030	31.6
95.08617	53.4
98.23164	33.4
105.07040	26.6
107.08590	47.9
109.10148	40.8
119.08604	28.7
121.10146	28.4
123.11711	11.5
129.07025	13.1
131.08572	11.8
133.10106	20.9
135.11708	15.2
137.13271	7.1
143.08543	13.8
145.10106	23.6
147.11716	20.9
149.13274	16.2
157.10130	16.6
159.11745	34.8
161.13257	8.6
169.10185	11.6
171.11710	18.0
173.13242	15.9
175.14836	8.7
185.13326	20.6
187.14891	13.9
189.53191	7.0
197.13246	20.4
199.14885	13.9
201.16362	7.4
211.14819	18.0
214.26514	6.4
215.18010	9.7
225.16374	14.9
225.64183	7.7
227.17911	22.3
241.19577	10.6
281.22650	20.1
346.98926	8.0
421.30917	100.0
422.31396	16.8
440.16571	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08456	3.2
53.03937	6.8
55.05512	32.8
57.07067	7.3
59.05005	2.8
60.56922	3.1
67.05506	44.2
69.03448	2.9
69.07067	39.7
70.46950	4.7
70.47270	5.0
71.04992	7.8
77.44722	3.1
77.89571	2.9
79.05494	40.4
81.07055	84.2
83.04990	4.7
83.08630	17.7
85.06541	7.7
89.06028	10.4
91.05474	39.8
93.07044	70.8
95.04973	5.6
95.08603	98.1
97.06528	12.9
97.10172	6.3
99.04454	7.0
101.06039	4.0
105.07027	76.5
107.07862	4.6
107.08594	96.0
108.08938	6.5
109.06496	16.3
109.10157	65.0
111.08098	20.6
111.11705	3.4
117.07034	15.6
119.08579	85.8
121.06554	4.1
121.10134	68.1
123.08084	8.8
123.11683	23.4
125.09640	8.3
129.07001	11.5
131.08557	44.7
133.08614	3.4
133.10117	66.8
135.08101	6.9
135.11678	31.5
137.05984	4.9
137.09627	11.8
137.13249	7.8
139.11142	5.4
142.07751	7.3
143.08571	21.1
144.09315	4.7
145.10126	70.8
147.07971	4.5
147.11681	42.1
149.09593	15.4
149.13237	17.9
151.11147	15.7
155.08527	6.3
157.10092	35.9
158.10930	5.2
159.08041	7.4
159.11699	58.3
160.12068	4.1
161.09624	10.6
161.13243	29.5
163.11200	10.3
163.14929	6.2
165.12808	5.6
167.10721	13.6
169.10120	9.5
170.10797	3.3
171.11688	42.3
172.12279	4.9
173.09694	16.4
173.13255	50.8
174.49936	4.4
175.11183	9.0
175.14827	18.4
177.09035	3.5
177.12700	5.7
177.16418	7.5
179.08556	3.2
179.10672	5.0
179.14282	3.6
181.10159	5.2
181.12228	5.9
182.10851	3.2
183.11736	19.1
184.12456	3.2
185.09586	3.9
185.13266	31.0
186.13586	3.2
187.11188	13.6
187.14810	25.1
189.12732	7.8
189.16379	11.5
191.10666	6.3
195.11729	8.1
197.13271	11.1
199.11119	5.8
199.14738	15.9
201.12671	8.9
201.16391	13.0
203.14261	5.5
203.18001	11.5
205.12344	5.4
205.15913	5.6
207.11708	4.3
209.13278	10.0
211.14847	10.3
213.12791	5.9
213.16353	17.5
215.14372	5.7
215.17961	9.4
217.15886	7.4
219.13794	6.2
223.14996	4.8
225.16371	6.9
227.14328	9.2
227.17973	9.7
229.15929	4.9
229.19507	4.8
231.13916	5.2
231.17557	4.1
233.15491	7.5
235.17009	3.8
237.16248	3.6
237.18529	4.6
239.14833	3.4
239.17896	5.9
241.19540	8.9
242.17009	3.5
243.17474	8.5
247.16978	7.7
251.18019	4.7
253.15822	3.4
253.19540	4.0
255.17406	6.8
255.21194	4.2
257.18900	4.8
259.20734	6.4
265.19424	4.4
269.19147	3.4
269.22513	3.6
271.20596	14.0
273.18463	17.1
273.21661	5.4
281.19168	3.6
283.20627	13.1
285.22095	12.1
287.19971	5.4
297.22122	11.7
311.23697	9.1
323.23923	4.1
325.25204	5.9
335.23331	3.4
337.25137	5.6
339.26883	6.5
351.26624	4.6
357.24231	27.8
358.24573	3.6
365.24692	4.5
379.26080	17.8
379.30405	5.4
383.25504	5.1
393.31619	3.9
403.29935	19.3
421.30685	39.5
422.31100	4.7
439.22021	11.8
439.31638	100.0
440.32034	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.05512	14.5
55.23851	1.7
57.07062	4.9
59.04993	2.7
62.31259	1.9
65.03931	2.5
65.86660	1.8
67.05508	28.0
69.07066	16.4
70.34566	3.3
70.34911	2.5
71.04981	2.8
75.99483	1.6
77.75485	1.8
79.05488	13.2
81.07055	35.3
83.04957	9.3
83.08629	10.2
85.06520	3.3
91.05476	16.5
92.46037	1.5
93.07044	36.6
95.04954	5.3
95.08606	100.0
96.08934	4.0
97.06524	5.4
97.10158	3.5
99.04453	2.3
105.07029	30.8
107.08593	46.6
109.06503	7.8
109.07159	1.7
109.10155	36.3
111.04430	3.8
111.08061	6.6
113.05997	3.6
117.07008	4.9
117.16409	1.6
119.08575	34.8
120.46204	1.6
121.06496	2.6
121.10136	29.5
123.08071	11.8
123.11710	21.4
125.09638	7.8
128.06238	3.6
129.07024	5.1
130.07739	2.4
131.08568	17.9
133.10118	36.0
133.11050	2.7
135.08026	3.7
135.11691	27.1
137.09572	8.9
137.13245	4.0
139.07550	7.1
141.09076	4.6
142.07715	2.2
143.08563	12.3
144.09317	3.1
145.10115	37.7
147.08057	2.0
147.11699	25.6
149.09566	3.1
149.13263	13.5
151.11148	8.3
151.14848	2.1
155.08521	4.2
156.09337	3.3
157.10117	21.5
159.08101	1.9
159.11688	35.3
161.09642	4.5
161.13257	15.4
163.11218	4.7
163.14757	5.4
165.12656	2.5
169.10155	7.0
170.10910	2.4
171.11685	16.9
172.12428	3.0
173.09674	4.3
173.13272	18.3
175.11214	3.6
175.14832	12.1
177.12718	1.7
177.16409	6.6
181.12260	1.6
183.11697	4.7
185.09653	1.8
185.13263	18.7
186.10347	2.8
187.11176	6.8
187.14842	19.8
189.12723	2.7
189.16367	9.3
191.14322	2.0
197.13243	6.2
199.14824	20.0
201.16371	13.1
203.14330	2.7
203.17970	2.9
205.15938	2.2
211.14760	7.9
213.16229	9.1
215.14308	6.7
215.17938	5.4
217.15814	2.5
217.19456	1.8
219.13725	1.9
219.17435	4.6
221.15417	2.5
223.14952	2.0
225.16316	7.9
226.17026	2.6
227.17986	5.6
229.15884	4.5
233.15355	6.4
235.89905	1.7
237.16356	2.3
239.17905	3.7
240.18674	3.6
241.19510	18.6
243.17400	3.5
243.21167	2.3
247.16890	2.2
251.17857	1.9
253.19434	1.9
255.21078	3.6
257.22531	2.2
267.21014	2.9
281.22656	7.1
282.23239	2.0
299.23489	2.6
319.92999	1.8
355.26068	2.1
369.24063	4.6
381.27820	30.0
382.28271	2.6
397.31021	16.3
421.26199	2.0
421.30664	8.0
422.31201	2.5
439.31927	92.3
440.32428	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08456	3.2
53.03937	6.8
55.05512	32.8
57.07067	7.3
59.05005	2.8
60.56922	3.1
67.05506	44.2
69.03448	2.9
69.07067	39.7
70.46950	4.7
70.47270	5.0
71.04992	7.8
77.44722	3.1
77.89571	2.9
79.05494	40.4
81.07055	84.2
83.04990	4.7
83.08630	17.7
85.06541	7.7
89.06028	10.4
91.05474	39.8
93.07044	70.8
95.04973	5.6
95.08603	98.1
97.06528	12.9
97.10172	6.3
99.04454	7.0
101.06039	4.0
105.07027	76.5
107.07862	4.6
107.08594	96.0
108.08938	6.5
109.06496	16.3
109.10157	65.0
111.08098	20.6
111.11705	3.4
117.07034	15.6
119.08579	85.8
121.06554	4.1
121.10134	68.1
123.08084	8.8
123.11683	23.4
125.09640	8.3
129.07001	11.5
131.08557	44.7
133.08614	3.4
133.10117	66.8
135.08101	6.9
135.11678	31.5
137.05984	4.9
137.09627	11.8
137.13249	7.8
139.11142	5.4
142.07751	7.3
143.08571	21.1
144.09315	4.7
145.10126	70.8
147.07971	4.5
147.11681	42.1
149.09593	15.4
149.13237	17.9
151.11147	15.7
155.08527	6.3
157.10092	35.9
158.10930	5.2
159.08041	7.4
159.11699	58.3
160.12068	4.1
161.09624	10.6
161.13243	29.5
163.11200	10.3
163.14929	6.2
165.12808	5.6
167.10721	13.6
169.10120	9.5
170.10797	3.3
171.11688	42.3
172.12279	4.9
173.09694	16.4
173.13255	50.8
174.49936	4.4
175.11183	9.0
175.14827	18.4
177.09035	3.5
177.12700	5.7
177.16418	7.5
179.08556	3.2
179.10672	5.0
179.14282	3.6
181.10159	5.2
181.12228	5.9
182.10851	3.2
183.11736	19.1
184.12456	3.2
185.09586	3.9
185.13266	31.0
186.13586	3.2
187.11188	13.6
187.14810	25.1
189.12732	7.8
189.16379	11.5
191.10666	6.3
195.11729	8.1
197.13271	11.1
199.11119	5.8
199.14738	15.9
201.12671	8.9
201.16391	13.0
203.14261	5.5
203.18001	11.5
205.12344	5.4
205.15913	5.6
207.11708	4.3
209.13278	10.0
211.14847	10.3
213.12791	5.9
213.16353	17.5
215.14372	5.7
215.17961	9.4
217.15886	7.4
219.13794	6.2
223.14996	4.8
225.16371	6.9
227.14328	9.2
227.17973	9.7
229.15929	4.9
229.19507	4.8
231.13916	5.2
231.17557	4.1
233.15491	7.5
235.17009	3.8
237.16248	3.6
237.18529	4.6
239.14833	3.4
239.17896	5.9
241.19540	8.9
242.17009	3.5
243.17474	8.5
247.16978	7.7
251.18019	4.7
253.15822	3.4
253.19540	4.0
255.17406	6.8
255.21194	4.2
257.18900	4.8
259.20734	6.4
265.19424	4.4
269.19147	3.4
269.22513	3.6
271.20596	14.0
273.18463	17.1
273.21661	5.4
281.19168	3.6
283.20627	13.1
285.22095	12.1
287.19971	5.4
297.22122	11.7
311.23697	9.1
323.23923	4.1
325.25204	5.9
335.23331	3.4
337.25137	5.6
339.26883	6.5
351.26624	4.6
357.24231	27.8
358.24573	3.6
365.24692	4.5
379.26080	17.8
379.30405	5.4
383.25504	5.1
393.31619	3.9
403.29935	19.3
421.30685	39.5
422.31100	4.7
439.22021	11.8
439.31638	100.0
440.32034	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.05512	14.5
55.23851	1.7
57.07062	4.9
59.04993	2.7
62.31259	1.9
65.03931	2.5
65.86660	1.8
67.05508	28.0
69.07066	16.4
70.34566	3.3
70.34911	2.5
71.04981	2.8
75.99483	1.6
77.75485	1.8
79.05488	13.2
81.07055	35.3
83.04957	9.3
83.08629	10.2
85.06520	3.3
91.05476	16.5
92.46037	1.5
93.07044	36.6
95.04954	5.3
95.08606	100.0
96.08934	4.0
97.06524	5.4
97.10158	3.5
99.04453	2.3
105.07029	30.8
107.08593	46.6
109.06503	7.8
109.07159	1.7
109.10155	36.3
111.04430	3.8
111.08061	6.6
113.05997	3.6
117.07008	4.9
117.16409	1.6
119.08575	34.8
120.46204	1.6
121.06496	2.6
121.10136	29.5
123.08071	11.8
123.11710	21.4
125.09638	7.8
128.06238	3.6
129.07024	5.1
130.07739	2.4
131.08568	17.9
133.10118	36.0
133.11050	2.7
135.08026	3.7
135.11691	27.1
137.09572	8.9
137.13245	4.0
139.07550	7.1
141.09076	4.6
142.07715	2.2
143.08563	12.3
144.09317	3.1
145.10115	37.7
147.08057	2.0
147.11699	25.6
149.09566	3.1
149.13263	13.5
151.11148	8.3
151.14848	2.1
155.08521	4.2
156.09337	3.3
157.10117	21.5
159.08101	1.9
159.11688	35.3
161.09642	4.5
161.13257	15.4
163.11218	4.7
163.14757	5.4
165.12656	2.5
169.10155	7.0
170.10910	2.4
171.11685	16.9
172.12428	3.0
173.09674	4.3
173.13272	18.3
175.11214	3.6
175.14832	12.1
177.12718	1.7
177.16409	6.6
181.12260	1.6
183.11697	4.7
185.09653	1.8
185.13263	18.7
186.10347	2.8
187.11176	6.8
187.14842	19.8
189.12723	2.7
189.16367	9.3
191.14322	2.0
197.13243	6.2
199.14824	20.0
201.16371	13.1
203.14330	2.7
203.17970	2.9
205.15938	2.2
211.14760	7.9
213.16229	9.1
215.14308	6.7
215.17938	5.4
217.15814	2.5
217.19456	1.8
219.13725	1.9
219.17435	4.6
221.15417	2.5
223.14952	2.0
225.16316	7.9
226.17026	2.6
227.17986	5.6
229.15884	4.5
233.15355	6.4
235.89905	1.7
237.16356	2.3
239.17905	3.7
240.18674	3.6
241.19510	18.6
243.17400	3.5
243.21167	2.3
247.16890	2.2
251.17857	1.9
253.19434	1.9
255.21078	3.6
257.22531	2.2
267.21014	2.9
281.22656	7.1
282.23239	2.0
299.23489	2.6
319.92999	1.8
355.26068	2.1
369.24063	4.6
381.27820	30.0
382.28271	2.6
397.31021	16.3
421.26199	2.0
421.30664	8.0
422.31201	2.5
439.31927	92.3
440.32428	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.6
55.01867	3.6
55.05513	39.4
56.66352	3.1
57.07071	8.9
59.04986	5.1
64.16016	2.9
65.03918	3.2
67.05510	49.2
68.09830	3.2
69.07072	43.4
71.04995	11.0
71.33166	2.4
71.33574	3.8
79.05499	40.5
79.65446	3.1
81.07058	72.6
83.04984	4.7
83.08630	21.5
85.06519	5.8
87.78775	2.9
88.19130	3.2
89.06030	4.2
91.05484	36.9
92.05818	3.7
93.07048	78.0
95.04984	5.1
95.08611	85.4
97.06508	9.8
97.10178	5.8
99.04463	9.8
101.06010	4.1
105.07038	69.3
105.07740	3.9
107.08601	100.0
108.08912	3.9
109.06526	16.4
109.10165	53.9
111.08083	19.0
113.70010	3.3
115.05524	3.4
115.07550	4.0
117.07005	17.7
119.07771	5.4
119.08585	79.1
121.06494	4.0
121.10153	63.0
123.08076	6.9
123.11719	26.3
125.09628	9.3
129.07002	10.2
131.08559	47.6
133.06441	3.2
133.08611	4.9
133.10141	63.5
135.08115	7.3
135.11697	27.4
137.06041	8.1
137.09602	11.2
137.13217	3.6
139.11195	5.9
142.07759	8.9
143.08601	20.1
144.09285	7.2
145.10132	57.2
147.08052	4.3
147.11684	41.0
149.09618	8.7
149.13266	16.2
151.11201	11.3
155.08553	10.2
156.09315	4.7
157.10136	35.7
159.08090	5.0
159.11703	63.2
159.44482	3.1
161.09601	11.2
161.13222	26.0
163.11121	8.0
163.14766	7.3
165.09006	3.9
165.12730	5.7
167.10683	11.2
168.09384	3.8
169.10139	11.8
170.10893	4.7
171.11710	43.3
172.12407	4.6
173.09613	9.0
173.13278	40.1
175.11189	9.0
175.14812	13.3
177.12695	7.0
177.16342	3.9
183.11685	16.6
185.09625	4.6
185.13284	26.4
187.11189	8.7
187.14813	21.4
189.12726	8.5
189.16374	7.4
191.10683	7.7
191.14421	5.8
193.15891	4.3
195.11687	7.7
197.13264	11.3
197.69641	3.2
199.11263	5.1
199.14775	15.9
201.12804	6.8
201.16444	17.9
203.14360	6.5
203.17961	11.5
204.93483	3.3
205.12312	6.7
207.11780	3.9
209.13261	5.9
211.14827	16.3
213.12801	7.1
213.16400	17.4
215.14343	5.4
215.17963	11.5
217.12399	4.1
217.15849	5.6
219.13879	5.5
219.17439	5.0
225.16422	6.2
227.14314	7.6
227.17926	11.3
229.15924	8.2
231.17444	3.8
233.15291	6.7
237.16415	4.4
239.17929	6.5
241.19530	5.9
243.17548	4.3
247.16891	9.2
251.17973	6.9
255.17471	7.7
255.21094	3.8
257.22726	3.4
259.16879	4.5
269.19125	7.6
271.20605	14.1
273.18478	9.7
283.20523	11.0
285.10605	3.3
285.22208	10.3
287.20099	5.3
297.22156	8.2
299.20264	3.7
311.23795	7.6
321.22049	3.9
325.25253	12.4
337.25125	6.3
339.23065	5.9
339.26837	6.7
357.24158	27.5
361.25497	3.9
365.28796	4.2
379.26303	13.3
397.27460	4.5
403.29941	10.6
421.30661	36.3
421.35843	5.1
439.14377	3.7
439.21994	6.3
439.31564	89.9
440.32489	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.6
55.05517	21.9
57.07072	7.4
61.10975	3.3
67.05503	38.9
69.07066	24.1
71.05002	14.7
71.30367	3.4
72.14590	2.6
79.05492	33.4
81.07053	67.4
83.04980	19.5
83.08632	13.8
85.06548	3.5
86.59216	2.9
91.05474	37.1
93.07046	72.5
94.07391	2.8
95.05010	6.1
95.08606	100.0
96.08948	6.7
97.06538	5.2
97.10172	8.5
99.04476	2.7
99.08093	5.6
105.07034	60.6
107.08598	79.2
108.08922	3.5
109.06516	8.7
109.10158	78.7
110.10520	3.4
111.04396	3.2
111.08089	12.0
111.11679	2.8
117.07027	12.7
119.08582	75.9
121.06548	3.1
121.10149	60.2
123.08080	10.7
123.11718	37.4
125.09675	9.8
127.11189	15.9
129.07086	6.4
131.08565	26.5
133.10135	50.3
135.08060	11.4
135.11714	35.2
137.09596	5.1
137.13278	6.7
138.80373	2.4
139.07635	3.0
139.11244	5.7
143.08591	16.9
145.10114	44.3
147.11694	47.5
149.09647	9.7
149.13278	25.2
151.11209	8.3
151.14825	5.6
153.12782	6.8
156.09445	3.0
156.18884	2.7
157.10156	20.8
159.08018	3.7
159.11688	47.6
160.12114	3.2
161.09637	5.0
161.13263	41.5
163.11240	12.9
163.14865	10.7
165.12773	5.6
169.10164	7.7
171.11665	17.8
173.13249	24.1
175.11165	3.6
175.14838	30.3
177.12793	8.7
177.16451	8.9
179.14403	2.6
181.10185	4.0
183.11694	10.6
185.13307	17.8
187.14784	21.5
189.12738	8.2
189.14679	2.4
189.16309	14.0
191.14331	11.2
191.18037	6.8
193.15854	5.8
195.11703	4.5
197.13226	8.2
199.11200	3.1
199.14848	12.3
201.12701	3.3
201.16347	18.3
203.14371	4.7
203.18019	10.6
205.15895	4.6
207.11629	3.6
211.14828	6.8
213.16418	11.1
215.17958	12.5
217.15916	3.9
217.19542	7.8
225.16428	5.5
227.18044	7.3
229.19537	10.7
231.17473	4.1
233.18967	5.1
239.17892	3.6
240.18248	2.9
253.19565	3.8
257.22537	4.4
267.21112	4.1
271.20609	3.7
281.22620	4.7
299.23709	10.0
313.07141	4.0
353.28436	14.7
365.28256	4.5
395.11246	5.9
396.11957	8.1
397.12186	3.2
403.33951	4.0
408.12344	2.9
409.12854	6.8
410.13550	5.8
411.14392	5.5
421.29977	2.8
421.34763	43.1
422.34698	4.9
438.12668	9.2
439.13443	79.4
439.36050	53.4
440.13361	17.5
440.19284	3.6
440.36108	3.5
457.13898	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01854	2.9
55.05510	30.1
57.07059	9.9
59.04985	2.2
62.22885	1.9
62.87339	1.9
62.90419	2.0
67.05506	48.6
69.07070	53.5
69.15444	4.8
69.15852	11.5
71.04987	3.0
71.08615	3.7
73.72571	1.8
79.05489	27.0
81.07055	88.1
82.07376	3.0
83.04980	4.0
83.08624	23.0
85.06544	4.4
85.10213	2.0
91.05475	26.2
93.07041	64.0
95.04972	3.8
95.08604	100.0
96.08958	2.8
97.06523	6.2
97.10175	13.5
99.04463	6.0
101.05996	2.6
105.07034	63.9
105.07747	3.1
107.08592	89.1
108.08888	2.3
109.06517	5.6
109.10155	98.9
111.08102	6.8
111.11707	2.7
115.31128	2.0
117.07047	6.9
119.08581	86.1
120.08909	2.5
121.10143	77.9
123.08083	5.9
123.11710	37.9
125.09659	2.2
127.07529	3.3
129.06970	3.9
131.08560	21.9
133.10132	65.3
135.08078	6.2
135.11710	38.9
136.12048	2.5
137.09628	5.2
137.13248	13.7
141.09074	2.3
142.07808	3.6
143.08554	13.9
144.09325	3.2
145.10126	40.0
147.08110	2.3
147.11687	51.9
148.12044	3.3
149.09631	7.7
149.13242	25.3
151.11165	4.0
151.14781	2.5
153.09061	2.7
155.08571	4.0
156.09329	2.6
157.10135	21.4
159.11705	48.2
161.09618	9.1
161.13263	31.7
162.13652	2.4
163.11211	6.8
163.14812	10.7
165.09181	3.3
165.12653	2.4
167.10631	10.9
169.10114	4.8
171.11681	17.8
172.12379	3.1
173.09756	2.2
173.13264	41.0
175.11263	10.0
175.14827	21.3
177.12784	5.5
177.16353	5.4
179.10722	6.6
181.12230	7.2
183.11754	8.6
185.13303	12.0
187.14825	22.6
189.12743	4.5
189.16380	25.4
191.10803	2.3
191.14265	3.5
191.17938	11.5
193.12277	4.9
195.13858	6.9
197.13329	6.9
199.14880	8.9
201.12755	2.0
201.16405	21.4
203.14180	1.9
203.17943	32.5
205.12283	3.8
205.19627	5.7
207.13806	2.4
209.13229	2.8
211.14876	4.1
213.12646	3.1
213.16428	9.1
215.14482	2.8
215.17944	16.0
217.15912	2.9
217.19513	17.2
219.17413	2.2
221.15419	6.3
223.14851	2.9
223.16895	3.4
225.16466	5.5
227.18010	5.4
229.15839	3.4
229.19513	8.3
231.13829	3.5
231.21164	4.6
233.15468	3.1
235.16991	6.3
237.16289	2.7
239.14787	2.3
239.17979	2.0
241.15898	2.4
241.19649	2.9
243.21095	4.8
245.22766	3.3
247.17006	3.4
249.18588	4.9
253.19348	2.2
255.21068	3.8
257.22650	5.7
259.17010	2.7
261.18524	4.7
269.22766	2.8
271.24194	4.5
273.18539	6.6
275.20178	3.9
281.22559	3.8
283.24030	3.9
285.25656	2.2
287.20093	2.8
288.07263	2.0
296.61438	2.0
297.25629	3.0
301.21732	5.4
309.44113	2.3
311.27216	3.3
313.21799	3.9
329.24612	4.4
357.28070	2.7
379.29932	2.5
383.29370	3.9
386.74759	2.2
421.30365	4.3
421.35226	6.7
439.35754	95.7
440.35971	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
55.01877	2.4
55.05515	19.8
57.07075	8.9
58.79654	1.8
66.21363	2.2
67.05507	39.6
69.06689	2.8
69.07068	46.1
71.30263	3.8
79.05485	24.3
81.07059	71.9
83.04993	9.3
83.08619	16.1
85.06544	3.1
89.06029	33.0
90.06376	8.1
91.05486	27.0
93.07040	65.1
95.04974	6.3
95.08606	96.9
97.06535	9.2
97.10176	7.1
99.20207	2.4
101.06006	2.6
105.07029	63.3
106.60253	2.3
107.08591	75.7
108.08926	3.0
109.06535	5.7
109.10153	52.8
110.10549	3.8
111.08090	3.7
111.11739	2.8
117.07016	14.0
119.08582	62.9
121.06548	3.7
121.10135	60.7
123.08082	5.4
123.11697	22.0
125.09604	3.4
128.06247	3.6
129.07050	3.5
131.08563	24.9
133.08618	17.6
133.10117	43.0
134.08984	6.2
135.08060	7.3
135.11690	29.5
136.12080	2.7
137.09630	2.4
137.13284	9.4
143.08556	18.1
145.10138	37.8
147.04416	3.3
147.11667	41.4
147.12758	3.5
149.09612	5.8
149.13266	22.5
151.11249	3.8
151.14798	2.4
153.09143	6.9
155.08601	3.9
156.09277	2.5
157.10147	15.5
158.11017	2.7
159.11697	44.5
159.12987	2.9
161.09586	5.2
161.13248	25.8
163.11229	6.3
163.14868	12.6
165.09085	2.2
165.12834	2.8
167.10751	3.6
169.10150	5.2
171.08113	5.1
171.11705	12.5
173.09772	2.1
173.13268	24.1
175.11290	2.9
175.14828	17.0
177.11340	3.4
177.12807	4.9
177.16380	4.6
179.10733	3.6
181.12267	7.4
183.11702	4.2
185.13307	7.9
187.14833	22.9
189.09074	5.9
189.12744	4.7
189.16391	12.1
191.14301	2.9
191.17967	6.9
193.12260	2.9
193.15999	3.8
195.13800	3.6
197.13248	2.7
199.14850	7.1
201.16353	21.9
203.17938	16.8
205.12164	2.3
209.15396	5.9
209.22766	2.1
213.16444	6.7
215.17918	14.2
217.15985	2.9
217.19534	6.7
219.17578	3.6
221.11702	38.5
221.15402	5.0
227.17825	3.8
229.19606	8.7
231.21086	2.5
232.27243	2.2
235.16959	4.0
239.14857	22.3
240.15250	13.8
243.21213	3.1
245.07169	2.6
245.19023	2.6
255.21056	3.3
269.22656	3.6
281.08136	2.7
283.24188	3.1
343.12189	2.3
403.33527	2.9
421.34787	10.0
422.35443	2.7
439.22931	4.5
439.35791	100.0
440.36325	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46563	3.0
53.03936	4.1
55.05516	21.7
57.07072	12.4
67.05508	34.6
69.07069	50.0
70.84517	7.2
71.08644	4.2
79.05492	30.2
81.06582	5.2
81.07059	100.0
83.08620	23.4
83.47695	3.3
89.06042	9.4
91.05488	29.8
93.07048	80.9
95.04974	4.1
95.08607	90.7
97.10187	9.2
105.07038	67.2
107.08594	85.8
109.06532	7.0
109.10153	75.7
117.06991	7.3
119.08584	77.8
121.10145	69.1
122.10513	3.8
123.11707	34.5
129.07010	9.4
131.08574	31.9
133.08571	6.8
133.10138	51.0
135.08087	11.8
135.11694	36.7
137.09639	6.9
137.13263	11.4
143.08566	13.3
144.09399	6.3
144.39566	3.7
145.10120	26.5
147.08061	4.0
147.11687	41.1
149.09634	12.5
149.13264	28.5
153.09114	14.4
155.08606	3.7
157.10118	13.2
159.08089	4.1
159.11699	72.2
160.12172	3.6
161.09653	6.6
161.13242	29.8
163.11241	6.8
163.14836	14.4
165.09090	3.7
167.10753	6.7
171.11687	10.7
173.13271	26.6
175.11276	5.2
175.14842	22.8
177.16333	4.6
179.10652	6.4
180.15405	3.4
180.93588	3.2
181.12257	15.3
183.11620	3.9
185.13235	10.4
187.14841	17.8
189.12761	6.2
189.16461	12.0
191.14305	3.5
191.18028	7.2
193.15842	5.4
195.13831	9.3
199.14816	9.3
200.86339	3.5
201.16382	13.5
203.17896	17.9
205.12224	3.5
209.15349	15.2
213.16440	6.2
215.17979	27.0
217.12158	5.2
217.19531	13.5
218.79947	3.3
219.13907	5.2
221.15376	6.5
225.09833	3.1
229.19618	28.7
231.21173	10.1
235.16837	4.1
239.14923	4.3
240.15347	4.1
243.21300	4.2
245.22639	6.0
247.16940	3.9
257.22586	5.5
261.18378	4.9
273.18527	5.5
283.24243	4.6
383.29306	4.8
397.31128	3.9
421.34683	13.1
439.35785	80.7
440.36035	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51010	2.2
53.03940	7.1
55.05508	23.7
57.07079	6.7
65.03939	4.6
67.05505	47.8
69.03407	6.6
69.05791	23.8
69.07069	36.4
69.83347	2.8
71.04985	3.4
71.08643	4.3
79.05497	28.8
81.07059	90.6
83.04980	12.7
83.08634	13.2
85.02907	39.4
85.06561	3.3
89.06025	8.9
91.05479	35.9
93.07041	80.1
95.04971	7.8
95.08606	100.0
96.08989	2.6
97.06525	6.1
97.10168	7.0
98.23360	5.8
103.05479	2.5
105.07031	71.4
107.08592	89.8
108.08964	2.9
109.06524	5.6
109.10155	92.1
110.10484	2.6
111.08090	7.9
111.11716	3.7
116.06270	2.7
117.07008	13.3
119.08584	71.4
121.06525	4.9
121.10144	72.0
123.08076	6.4
123.11710	29.7
125.09668	4.8
127.07496	4.8
127.11156	4.3
128.06168	2.3
129.07057	5.4
130.07828	3.4
131.08586	31.1
133.06496	3.2
133.08618	3.3
133.10124	56.2
134.08913	2.4
135.08067	8.9
135.11700	75.6
137.09615	11.5
137.13249	7.5
139.07428	3.3
139.11163	2.7
141.07071	3.4
142.07770	2.7
143.08611	14.3
143.09537	2.3
144.09369	4.9
145.10120	45.6
146.10489	3.4
147.08028	5.5
147.10582	4.9
147.11682	48.2
149.09637	8.1
149.13245	32.1
151.11197	6.4
153.09105	8.9
155.08618	3.4
156.09319	4.1
157.10147	16.2
158.10912	4.1
159.11690	61.4
161.09628	5.1
161.13268	46.4
162.13457	3.1
163.11162	7.8
163.14830	9.6
165.09105	7.6
165.12779	5.7
167.10696	5.8
169.10132	3.9
171.08084	4.5
171.11742	13.7
173.13266	39.2
174.13663	3.0
175.11195	8.3
175.14803	22.9
176.15152	2.4
177.12830	5.3
177.16396	9.9
180.02509	2.5
181.12239	7.9
183.11639	5.2
185.13274	14.0
187.11252	3.8
187.14824	17.7
189.09145	2.9
189.12767	3.7
189.16396	18.5
191.14371	5.7
191.17894	5.6
193.12241	3.1
193.15794	4.6
195.11690	4.5
195.13826	5.2
197.13261	5.6
199.14864	10.3
201.16359	33.1
203.14362	6.8
203.17953	30.2
205.15875	4.4
209.15448	6.6
211.14833	2.6
213.16431	6.9
215.17905	22.6
217.12254	3.1
217.15877	9.2
217.19580	9.4
219.17433	5.2
221.11702	22.7
221.15343	4.5
227.17943	3.9
229.19547	13.4
231.17531	5.0
233.18834	2.8
235.16875	4.4
239.15094	5.7
240.15300	4.1
241.19586	3.7
243.21098	6.3
249.18610	4.1
257.22467	3.2
267.21021	2.9
269.22638	4.7
273.18372	3.5
283.24362	4.7
315.92444	2.3
323.28122	2.7
344.23010	2.5
383.29361	3.3
403.33292	2.6
421.35028	14.2
439.31741	66.3
439.36029	53.4
440.32092	7.9
440.36765	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31101	0.3
53.03952	2.3
55.05511	69.3
56.05845	2.0
60.66502	0.3
71.31525	0.4
75.17120	0.3
80.81503	0.3
80.94587	0.4
81.07068	0.4
83.04980	100.0
84.05305	4.0
95.08617	0.4
109.10148	0.4
119.72716	0.3
138.14540	0.3
143.08519	0.4
145.10074	0.5
153.06902	0.5
181.06555	0.5
183.08069	0.3
197.06064	0.4
199.07550	1.9
201.09152	1.0
211.07576	0.4
214.06177	1.0
215.06917	0.9
222.06958	0.4
223.07420	0.4
225.05487	0.9
226.06186	0.4
227.06999	4.5
229.08485	0.8
238.06409	0.3
239.07043	1.6
240.04324	0.4
241.04922	0.4
242.05745	5.0
243.06410	0.4
251.07008	1.1
253.04819	0.8
255.06490	1.1
257.08044	2.6
265.04974	0.5
266.05792	0.8
267.06528	7.4
268.03586	0.9
268.06638	0.6
269.08002	0.5
270.05194	4.4
271.05862	0.4
279.06494	0.9
281.04443	1.4
281.07837	0.7
283.06024	4.9
284.06436	0.4
285.07553	6.8
286.07877	0.4
294.05139	0.7
295.06073	0.8
298.04852	0.6
298.08188	0.5
299.05420	0.8
299.33939	0.3
309.07581	3.0
310.08154	0.4
313.07047	45.0
314.07336	3.0
325.06958	0.7
327.08524	0.8
328.09390	82.3
329.09741	7.0
336.38290	0.4
340.09286	0.8
341.10260	2.2
355.08112	0.7
395.10986	0.7
395.58676	0.4
410.13574	21.6
411.14011	2.0
440.14026	0.8
440.37085	0.7
441.24454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24312	0.2
53.03945	2.7
55.05513	71.9
56.05852	1.9
59.04995	0.7
69.37649	0.7
69.38050	1.5
81.52454	0.3
83.04984	100.0
84.05319	3.6
95.08589	0.5
98.22585	0.5
102.27134	0.3
105.03417	0.3
159.08112	0.3
184.05309	0.3
187.26166	0.3
197.05946	0.5
199.07559	1.8
201.09113	0.3
209.05998	0.4
211.07686	0.4
214.06290	0.9
215.06985	0.7
225.05527	0.7
226.06331	0.4
227.07056	2.4
229.08675	0.6
237.05394	0.4
238.06351	0.6
239.06979	0.9
241.05031	0.7
242.05736	4.4
243.06366	0.3
251.07108	1.5
253.04953	1.0
254.05734	0.3
255.06538	1.1
257.08035	2.2
265.05173	0.3
266.05646	0.4
267.06549	7.9
268.03711	1.1
268.06760	0.6
269.07941	0.3
270.05212	6.1
271.05927	0.9
279.06503	1.0
281.04510	1.6
281.07483	0.3
283.05994	3.8
284.06680	0.4
285.07541	5.6
294.05353	0.7
295.05951	0.7
297.07541	0.6
298.04782	0.3
299.05414	1.0
300.06250	0.3
301.06805	0.4
308.27237	0.3
309.07639	4.2
309.10962	0.5
310.07916	0.6
313.07065	45.9
314.07498	2.8
325.03528	0.5
327.08661	0.7
328.09402	89.2
329.09769	6.4
341.10187	1.9
342.10529	1.0
355.08060	1.5
358.13812	0.4
371.03259	0.3
395.69370	0.3
398.13037	0.4
410.13580	22.3
411.13971	2.1
440.14304	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31101	0.3
53.03952	2.3
55.05511	69.3
56.05845	2.0
60.66502	0.3
71.31525	0.4
75.17120	0.3
80.81503	0.3
80.94587	0.4
81.07068	0.4
83.04980	100.0
84.05305	4.0
95.08617	0.4
109.10148	0.4
119.72716	0.3
138.14540	0.3
143.08519	0.4
145.10074	0.5
153.06902	0.5
181.06555	0.5
183.08069	0.3
197.06064	0.4
199.07550	1.9
201.09152	1.0
211.07576	0.4
214.06177	1.0
215.06917	0.9
222.06958	0.4
223.07420	0.4
225.05487	0.9
226.06186	0.4
227.06999	4.5
229.08485	0.8
238.06409	0.3
239.07043	1.6
240.04324	0.4
241.04922	0.4
242.05745	5.0
243.06410	0.4
251.07008	1.1
253.04819	0.8
255.06490	1.1
257.08044	2.6
265.04974	0.5
266.05792	0.8
267.06528	7.4
268.03586	0.9
268.06638	0.6
269.08002	0.5
270.05194	4.4
271.05862	0.4
279.06494	0.9
281.04443	1.4
281.07837	0.7
283.06024	4.9
284.06436	0.4
285.07553	6.8
286.07877	0.4
294.05139	0.7
295.06073	0.8
298.04852	0.6
298.08188	0.5
299.05420	0.8
299.33939	0.3
309.07581	3.0
310.08154	0.4
313.07047	45.0
314.07336	3.0
325.06958	0.7
327.08524	0.8
328.09390	82.3
329.09741	7.0
336.38290	0.4
340.09286	0.8
341.10260	2.2
355.08112	0.7
395.10986	0.7
395.58676	0.4
410.13574	21.6
411.14011	2.0
440.14026	0.8
440.37085	0.7
441.24454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82321	1.5
52.45482	1.5
53.03948	2.2
55.01870	15.1
55.05495	3.7
57.03437	24.5
59.04986	2.9
60.04531	1.7
61.02927	13.5
69.03430	31.2
69.07065	8.7
69.92841	7.4
71.01340	5.8
71.04996	1.7
72.04489	1.8
73.02914	43.2
81.03412	10.1
83.08614	11.8
85.02904	100.0
86.03245	2.0
87.04465	7.8
87.08095	2.2
91.03960	5.9
91.05469	2.3
95.04964	1.6
96.92750	1.5
97.02893	52.7
98.51533	1.6
99.04457	4.4
103.03944	5.7
105.06992	2.1
109.02876	7.6
111.08074	11.5
115.03933	27.2
127.03909	23.3
129.09111	46.4
132.06612	2.4
133.04973	36.3
144.06572	4.6
145.04965	34.8
150.07591	5.0
159.61856	1.7
162.07599	2.3
163.06068	12.2
173.76781	1.6
180.08644	4.7
223.05959	2.4
241.07072	4.1
259.08093	3.1
267.16016	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30092	1.1
55.01875	9.5
55.05505	9.8
57.03436	14.8
57.07074	3.6
59.05009	2.7
61.02915	6.5
67.05519	1.8
69.03432	20.7
69.07066	100.0
70.07398	2.1
70.49846	3.6
71.01368	3.6
71.04997	1.8
73.02915	25.8
81.03419	3.7
81.07063	3.8
83.04948	1.4
83.08623	8.0
85.02904	49.3
87.04486	3.7
90.89979	1.2
91.03985	2.2
93.07000	1.5
95.04962	1.4
95.08602	2.4
97.02888	29.1
99.04457	2.1
103.03940	2.3
105.07071	1.8
107.08616	2.5
108.68663	1.3
109.02899	4.0
109.06573	1.5
109.10167	3.8
111.04436	2.4
111.11715	48.1
112.12045	1.5
115.03932	15.7
119.08579	1.8
119.67246	1.2
121.10171	2.7
123.11689	1.4
127.03908	13.5
127.11236	2.7
129.12755	84.5
130.13081	2.5
131.08636	1.5
132.06590	1.6
133.04955	19.9
134.05354	1.4
135.11739	2.0
139.11215	1.6
141.12802	4.5
145.04968	14.4
150.07652	3.4
153.12761	1.9
163.06000	8.5
179.10754	1.6
181.12454	1.3
203.05368	1.4
219.13818	1.6
223.06052	2.4
241.07111	2.7
243.15923	1.6
255.15866	1.8
259.08072	2.0
279.15662	1.6
288.52426	1.3
291.18033	2.2
323.72375	1.4
440.23508	53.8
440.29614	2.8
441.24835	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	7.5
59.42628	2.4
63.78662	2.3
67.05508	7.6
69.03451	5.0
69.07063	4.2
70.81572	3.4
71.04998	4.3
79.05479	3.2
81.07045	5.9
83.04982	6.2
85.02917	13.5
89.96620	2.5
93.07048	10.3
95.04968	3.5
95.08630	26.4
97.02891	4.2
97.06528	3.5
105.07043	11.0
107.08601	8.6
109.06537	9.8
109.10190	17.0
111.08081	2.8
116.07065	3.7
119.08591	14.5
121.10156	32.9
123.08071	12.0
133.10156	5.6
135.11720	5.1
137.09619	18.3
139.03893	4.9
145.10164	3.8
147.11691	11.8
149.09616	38.5
150.05524	8.0
151.07553	17.9
151.11154	3.9
156.09435	2.9
159.07973	3.1
161.13231	21.3
163.11223	4.3
165.09137	3.5
165.12814	5.4
171.11647	6.2
174.10391	2.7
179.05290	2.6
179.14331	9.4
189.12752	22.8
207.13815	100.0
208.14182	5.5
225.14882	7.2
231.59227	2.6
234.40498	2.6
243.10988	2.7
441.14447	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47298	7.5
53.27407	6.7
69.07080	13.0
69.07928	17.3
69.08337	46.7
70.06608	9.6
71.04993	9.8
78.68934	7.5
81.07065	25.2
85.02915	12.6
95.04958	14.0
95.08608	30.5
97.80297	6.9
98.22495	13.4
99.04449	35.5
105.07053	23.3
109.06540	7.7
109.10161	17.9
111.04440	8.9
119.08589	18.4
121.10136	20.5
122.09678	10.1
123.04438	7.5
123.08058	14.7
135.08054	12.1
147.04440	19.5
147.11757	16.1
149.09627	11.1
150.05489	48.0
151.11226	16.0
161.13214	20.1
165.12761	14.7
189.12773	13.3
207.13852	34.1
216.07004	13.6
225.14845	100.0
243.16011	13.8
278.10223	17.8
441.17618	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.0
57.07076	28.1
67.05506	1.1
69.07072	2.2
69.33782	5.1
71.08636	26.9
73.06554	6.2
73.44585	0.9
79.05499	1.5
81.07060	2.6
83.04983	2.7
83.08624	3.9
85.10185	25.2
85.10583	0.9
87.04474	2.5
89.06033	100.0
90.06351	1.1
93.07047	2.0
95.04959	0.8
95.08612	3.2
97.10181	1.2
98.23318	1.5
99.11711	3.5
105.07037	2.8
107.07082	1.3
107.08597	3.4
109.10139	1.9
117.09139	2.0
118.66209	0.7
119.08570	2.9
121.10165	2.4
130.08655	2.1
131.08585	1.1
133.08612	42.3
134.10503	1.2
135.10191	1.0
135.11705	1.4
135.60631	1.0
141.16415	3.9
145.10162	2.1
147.11684	2.0
151.09718	1.0
157.10094	1.0
161.09589	1.2
168.09396	0.8
171.11722	1.2
175.11156	1.0
177.11215	14.5
185.19020	4.4
189.16423	0.9
195.12326	2.5
201.16277	0.8
203.18118	0.9
229.21629	7.4
239.14876	1.8
273.24280	3.6
283.17529	11.1
338.14783	1.2
344.27881	1.0
379.30801	1.3
423.33057	12.6
440.21542	4.3
440.36084	3.7
443.95926	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23354	9.7
54.29472	8.7
55.05505	22.3
57.07077	12.1
65.70865	8.3
67.05497	14.9
69.07056	38.1
71.30128	11.5
79.05502	27.1
81.07051	100.0
83.04978	13.2
83.08639	8.3
89.75791	7.7
91.05482	18.3
93.07049	47.9
95.08609	62.3
105.07024	31.5
107.08593	64.0
109.10151	56.0
119.08563	37.7
121.10153	44.7
123.11693	33.0
125.79880	8.5
131.08545	11.8
133.10117	40.1
135.11684	39.9
137.09621	9.3
141.64198	9.3
143.08546	11.4
145.10147	23.0
147.11742	19.1
149.13232	24.8
159.11644	12.4
161.13321	18.7
173.13228	20.1
175.04520	21.6
175.14853	15.9
177.16380	9.2
191.17909	16.5
203.18022	15.7
349.04428	8.0
404.48138	9.5
423.36279	10.0
441.24384	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07181	0.6
55.01873	0.9
55.05507	0.7
55.76553	0.6
57.07071	1.2
58.02961	1.1
58.68402	0.8
67.05497	0.8
69.03426	1.2
69.07059	3.1
69.60157	1.4
69.60569	2.4
73.02904	0.8
74.09666	0.9
81.07063	1.3
85.02909	3.5
93.07101	0.9
95.08605	0.9
97.02916	1.8
98.22662	0.9
100.11235	2.2
106.24913	0.7
111.03224	0.6
111.04459	0.8
111.11716	1.7
114.09168	3.0
127.03988	0.8
128.37596	0.7
129.12767	1.4
133.04926	1.1
142.08653	2.0
147.04385	2.0
155.03140	6.8
156.13849	3.7
157.10165	0.9
161.66933	0.7
165.09108	0.9
182.15439	1.9
184.13277	2.0
207.83440	0.6
210.14847	1.6
241.18901	0.8
255.17747	0.7
258.21719	2.0
279.15747	3.4
283.23993	0.9
300.26447	1.4
308.02930	7.5
308.36783	0.8
309.03680	50.2
310.04077	2.6
368.25629	1.1
423.33133	1.1
440.23254	2.0
441.07944	100.0
441.33960	3.5
442.08282	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03441	1.8
69.71325	5.7
69.71734	2.7
70.06594	10.7
86.09718	11.0
98.23380	1.6
98.97564	7.9
99.96800	1.6
109.06536	1.7
116.98586	2.2
123.04441	11.8
137.05971	1.8
147.04396	4.3
158.99644	1.9
165.05547	1.8
166.51183	1.7
175.23752	1.5
177.00687	2.1
185.07033	1.6
185.09134	1.9
189.55214	1.5
213.08693	2.3
237.02742	1.8
273.04120	2.3
288.45648	1.6
289.06683	2.3
326.16974	2.1
327.07452	3.8
441.11572	100.0
441.17191	14.8
441.24423	4.3
442.11853	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41260	0.4
56.96546	0.6
68.99758	0.5
69.39329	2.9
70.06557	0.5
80.63215	0.4
81.03243	0.4
84.95992	0.5
94.05119	0.4
98.23328	0.7
98.97584	3.0
107.04913	0.8
111.04400	0.6
113.02059	0.5
116.98547	1.0
119.04983	0.8
123.04429	7.5
127.03761	0.5
127.70946	0.4
135.04343	0.5
137.05949	0.5
138.69496	0.4
139.03831	1.7
147.04309	1.8
151.03854	0.7
153.01732	1.7
158.99609	0.7
161.05972	0.7
163.03833	0.8
165.05460	0.7
187.03951	0.7
189.05295	0.6
201.05296	0.5
204.07536	0.4
205.01265	0.5
214.62437	0.4
217.04843	0.4
219.01605	1.1
231.02811	0.5
237.02609	1.2
245.04315	1.8
257.04312	1.4
258.15573	0.4
261.03857	1.0
271.05875	0.7
273.03900	3.4
287.05417	0.7
289.03470	1.0
289.06918	1.2
301.03098	0.5
303.01770	0.7
303.04926	6.8
304.05267	0.8
307.17401	0.5
309.09216	0.9
315.04642	0.7
317.08398	3.0
381.08377	1.4
399.09418	1.0
423.06696	1.2
441.13245	100.0
442.13504	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.5
55.01874	1.5
58.99587	2.2
65.03967	1.5
67.05512	3.4
68.17421	1.4
69.03450	6.3
69.07072	76.0
69.25908	5.2
69.26328	4.0
69.97842	1.2
70.06586	2.9
70.07400	2.6
70.88721	1.2
81.03430	2.3
83.92812	1.4
85.01135	1.4
85.02911	12.5
85.52963	1.2
91.05481	3.2
93.56891	1.2
93.63403	1.2
95.08611	1.8
97.02913	4.9
98.97610	1.7
99.04466	1.6
99.90897	1.5
101.04233	10.5
102.71318	1.2
105.07072	4.4
107.05013	1.9
112.07599	6.9
114.05556	2.0
116.07044	1.3
119.04949	8.4
119.08578	1.7
123.04481	7.1
127.03920	3.0
135.04482	1.5
136.07646	1.7
139.03981	1.7
140.07068	37.1
143.05229	1.6
147.04419	50.4
150.05591	1.5
150.10027	1.5
153.52278	1.3
163.03882	1.8
164.07138	1.4
170.06366	7.5
171.04700	2.0
172.04288	37.6
175.07576	2.0
185.04257	2.2
189.05461	1.5
189.57669	1.3
198.05969	3.1
199.04288	3.5
200.34068	1.4
201.05499	1.6
203.03416	2.5
207.13757	2.1
208.14226	2.5
216.06911	100.0
217.07329	4.1
233.04318	1.6
244.06490	5.4
245.04669	2.8
246.99225	1.4
247.10847	1.5
257.04605	1.7
261.04300	1.5
262.07581	53.5
262.10849	28.8
262.13364	2.2
263.07968	2.7
273.03961	3.5
279.08508	2.0
279.12421	1.8
285.04041	2.6
321.06357	2.0
441.17502	64.1
442.17932	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.2
55.05513	29.3
67.05502	5.8
69.07066	2.6
69.11967	3.7
69.12385	6.8
69.12866	1.1
79.05495	3.2
81.07054	8.1
83.04483	1.9
83.04980	37.1
83.08631	1.4
86.10713	1.0
91.05486	4.6
93.07047	8.9
94.32500	1.1
95.04985	2.6
95.08611	10.6
98.22666	2.6
105.03394	2.1
105.07040	9.9
107.08589	10.0
109.10147	6.4
111.04347	1.1
111.08015	1.2
113.09615	1.8
117.06986	2.0
119.08588	11.0
121.10120	7.5
123.08080	1.5
123.11697	2.1
131.08588	3.6
133.10127	7.8
135.08063	1.3
135.11700	5.4
137.13351	1.1
143.08583	1.9
145.10130	5.2
147.11676	5.2
149.13261	1.8
152.06212	5.2
155.08545	2.0
157.10110	3.7
159.08081	1.3
159.11687	4.8
161.09634	2.7
161.13214	3.5
161.45676	1.1
165.06981	2.1
167.08568	3.2
169.06529	1.6
169.10114	2.2
171.11674	2.5
173.13350	2.8
175.14784	2.6
179.08470	2.0
180.05736	2.8
181.10141	1.5
181.12080	1.3
182.07260	1.5
183.08057	1.4
183.11722	2.0
185.13159	1.6
187.14810	1.9
189.16403	1.6
190.08003	1.1
191.14374	1.4
192.09312	1.3
193.10136	1.6
194.07181	1.5
195.08127	5.8
196.08833	1.6
197.09634	2.4
199.14796	1.4
203.17899	1.4
207.11658	1.4
208.05168	5.8
209.05962	3.1
210.06717	5.4
217.09920	1.5
217.15855	1.5
219.11655	2.4
219.13644	1.3
220.08958	1.9
221.06050	1.3
222.06757	3.7
223.04007	1.5
223.07530	6.1
224.04666	1.4
224.08080	1.4
225.05589	1.3
226.06253	1.9
231.11830	1.5
233.09572	4.2
235.11122	3.3
236.04614	1.9
237.05473	4.1
238.06267	17.8
239.06912	4.2
240.04143	1.3
243.11833	1.3
247.11186	9.6
248.11873	2.0
249.05424	2.7
250.06291	7.2
251.07007	17.6
252.04243	1.8
252.07567	1.9
253.04883	2.2
253.08424	1.8
255.06726	1.5
258.14127	1.2
259.11218	2.1
261.12827	2.1
263.06976	1.5
265.05075	5.5
266.05734	72.6
267.06400	13.4
268.07156	2.7
270.14066	1.3
271.11194	1.5
272.12000	2.3
273.12750	3.1
278.05768	2.2
279.06537	5.6
280.07211	2.0
281.08075	79.4
282.08432	5.3
283.05960	4.8
283.09622	5.3
284.15497	1.4
285.12704	3.0
285.15961	1.3
286.13449	2.3
287.14249	12.1
291.06516	3.1
293.04483	4.4
294.05200	31.2
295.05902	5.2
296.06683	1.7
297.07648	4.7
298.08304	1.6
301.15927	5.3
302.16620	5.1
303.17148	2.1
309.07553	100.0
310.08218	18.9
311.05481	12.8
311.09097	7.0
326.07870	13.6
327.08478	2.1
327.17587	1.5
329.10056	9.6
329.19275	1.2
330.10376	1.5
341.10178	65.7
342.10464	4.3
345.18918	1.4
379.11642	1.3
383.29559	1.2
405.31537	1.5
411.14420	1.5
413.24615	2.6
423.23114	2.3
423.32446	3.6
438.85461	1.2
441.24231	53.4
441.33502	2.2
442.24371	3.3
459.25229	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.05510	35.8
58.21562	1.1
59.85107	1.2
67.05510	5.7
69.07060	3.6
71.30360	1.4
79.05479	3.2
81.07048	10.0
83.04980	47.9
83.08603	3.2
84.05310	1.3
85.06530	1.3
91.05478	4.5
93.07047	6.9
95.05004	1.9
95.08595	9.7
105.07031	6.8
107.08594	8.5
109.10159	7.8
111.08068	2.0
119.08569	8.3
121.10142	5.9
123.08092	2.3
123.11694	8.7
127.11163	1.6
129.07034	2.0
131.08565	3.7
133.10147	5.6
135.08118	1.2
135.11691	3.9
137.05862	1.0
137.13268	1.2
142.07838	1.2
143.08539	3.7
145.10110	4.6
147.11652	5.4
149.13335	1.5
151.11119	1.7
152.06267	4.1
155.08542	2.7
157.10150	3.5
159.11719	3.9
161.09602	1.2
161.13269	3.3
163.14810	1.4
165.06976	2.6
167.08545	2.9
169.10136	2.7
171.11684	3.0
173.13225	1.5
175.14819	2.9
179.08617	2.0
180.05682	2.7
181.06444	2.4
182.07266	1.3
183.11653	2.7
185.13254	2.2
185.41391	1.1
187.14825	2.2
189.16379	1.2
192.09340	1.3
194.07233	1.9
195.08046	3.9
195.11641	1.4
197.09520	2.7
197.13132	1.4
199.11026	1.7
199.14789	2.5
201.16371	2.0
203.18019	1.8
208.05205	7.3
209.05893	4.2
210.06741	4.8
212.04672	1.3
212.08124	1.4
213.16373	1.5
221.05876	1.4
221.09781	1.2
222.06708	4.6
223.03964	1.3
223.07520	6.0
226.06157	1.6
236.04718	2.0
237.05496	4.0
238.06236	19.2
239.06892	4.6
240.04225	3.2
243.11768	1.2
249.05524	2.6
250.06244	10.4
251.07018	22.6
251.09399	2.1
252.04192	2.1
252.07581	3.3
253.08627	2.2
257.22861	1.9
263.07013	1.4
265.05060	5.6
266.05731	78.5
267.06375	18.1
268.03696	2.1
268.07135	1.6
277.04840	1.8
278.05780	2.9
279.06427	6.6
279.09552	1.1
280.07297	1.7
281.08072	100.0
282.08444	7.1
283.05991	7.4
283.09567	6.6
291.06546	2.4
293.04337	3.2
294.05203	18.5
295.05887	4.0
296.06497	2.4
297.07471	8.0
309.07550	95.6
310.08212	16.1
311.05472	14.6
311.09055	5.6
323.08936	1.4
325.06912	1.6
326.07877	14.2
327.08347	1.9
329.10190	12.4
341.10184	77.9
342.10541	4.7
366.77924	1.2
379.11688	1.6
397.31229	1.3
399.51956	1.2
423.36453	2.3
440.28549	2.1
441.24142	15.9
441.29523	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.173
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
55.99810	0.3
69.25005	1.7
77.16038	0.3
83.01115	0.5
84.01894	0.4
90.76746	0.3
95.01084	1.6
96.01886	0.4
97.09806	0.3
98.23422	0.3
98.53979	0.2
112.01371	0.8
113.02126	1.7
125.49396	0.2
130.53355	0.3
157.04655	0.3
165.58932	0.3
185.04193	2.7
201.03667	0.5
203.05281	0.5
204.07568	2.4
205.08228	0.3
243.08376	0.3
259.07910	1.0
259.17770	0.3
265.91763	0.3
279.12094	1.0
303.05179	0.3
321.09872	0.3
438.50787	0.3
441.17313	100.0
442.17664	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.9
71.04991	1.4
71.31436	0.7
82.38305	0.7
83.08614	2.0
123.04385	0.6
127.11516	0.5
185.04274	0.5
193.12027	2.1
203.05275	2.6
227.05257	1.3
243.87486	0.6
245.06360	7.4
271.04080	0.7
287.03748	5.2
289.05283	100.0
290.05722	4.5
355.17334	0.6
397.18317	7.9
398.18866	0.8
441.17261	55.0
442.17712	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95848	0.7
61.79021	0.5
65.03927	0.8
67.05505	0.9
69.03419	1.6
69.65926	1.7
69.66335	0.9
70.06586	1.7
71.04968	0.6
72.08179	0.8
75.95837	0.5
81.03412	1.0
81.11633	0.5
85.02906	2.5
91.05477	5.1
95.04975	1.0
95.08618	0.7
97.02856	0.7
98.23316	0.7
99.04440	1.2
105.07013	1.5
111.04468	0.8
116.07074	1.2
119.04939	15.2
119.08562	1.1
123.04434	12.9
127.03916	2.0
130.06516	0.9
135.04367	0.5
139.03922	1.1
143.03413	2.0
145.04903	0.7
145.10036	0.7
147.04410	100.0
148.04771	4.1
150.05540	0.7
151.03917	0.8
153.01848	0.6
157.07610	1.4
158.06038	0.5
163.03944	1.4
175.03885	1.5
175.07530	2.4
177.01846	1.6
179.03362	0.8
187.03947	0.8
191.03423	0.7
193.04968	0.7
195.02853	0.6
201.05524	0.7
214.09851	0.6
215.03314	1.2
216.10201	2.1
217.04933	0.9
219.03000	0.6
227.03487	0.9
231.02760	0.6
233.11781	1.3
243.03049	0.9
245.04419	1.1
257.04489	0.8
261.04172	0.8
261.11075	1.5
262.10745	69.9
263.11069	4.3
271.02399	1.2
273.03833	4.4
279.12115	1.1
283.05847	0.8
287.05167	0.7
289.03473	2.3
291.05017	1.0
301.03458	4.2
313.03229	0.7
323.05496	1.2
349.06992	0.7
423.06946	2.1
423.16660	0.6
424.15897	1.1
436.89011	0.6
441.08130	2.2
441.17117	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
59.64480	0.4
65.03936	1.1
66.04735	0.5
67.05493	1.1
68.20989	0.5
69.03445	1.2
79.05499	2.6
81.07066	0.6
85.02915	1.0
91.05483	6.5
93.03416	0.6
93.07033	1.2
94.04170	3.6
95.04972	2.1
95.08615	0.6
98.22603	0.9
99.04446	0.7
99.37180	0.5
103.05455	3.7
105.07048	2.0
107.04929	1.2
107.08622	0.7
109.06495	0.7
111.04443	1.5
115.05476	2.6
117.06989	3.6
119.04974	2.8
121.06506	2.1
122.03649	9.3
123.04440	1.1
123.08074	2.4
125.05965	1.2
128.06252	2.7
129.07014	3.2
131.04927	6.1
131.08557	1.8
133.06502	1.4
135.04414	1.1
135.08046	1.4
136.05164	1.1
137.05978	100.0
138.06293	3.2
139.03966	1.1
141.06976	2.1
143.04930	1.1
143.08554	1.0
144.05678	1.3
145.06511	3.6
146.03622	1.4
146.07181	0.6
147.04425	1.9
147.08073	1.1
149.06003	2.3
149.09654	1.2
151.03918	3.0
151.07542	19.9
152.07838	0.8
153.05435	0.6
153.07016	1.8
154.07825	0.8
155.08548	0.6
157.06473	3.1
157.31633	0.5
158.07231	0.6
159.08066	2.1
160.05135	2.1
161.05997	5.4
161.09639	0.9
162.06718	1.0
163.07556	7.6
165.05489	3.0
165.06926	1.1
165.09100	1.2
167.07104	0.8
167.08498	1.1
169.06491	1.8
171.04469	1.1
171.08026	1.9
172.05145	0.9
173.06046	1.2
173.09659	0.8
174.06757	2.2
175.07539	13.1
176.04692	0.7
176.08003	0.8
177.05466	2.6
177.09094	6.1
179.07045	2.1
179.08525	1.2
180.09163	0.5
181.04964	1.4
181.06499	2.7
183.08058	1.4
184.05200	0.6
185.05991	1.8
185.09608	0.8
186.06796	0.8
187.07552	5.8
188.08292	1.0
189.05676	1.0
189.09094	8.8
190.06195	0.6
191.07024	7.6
191.10718	1.8
193.08629	2.5
195.08321	0.9
195.10156	8.7
195.11800	0.9
197.05978	1.1
197.09676	0.9
198.06778	1.4
199.07529	3.8
200.08244	0.5
201.05460	0.7
201.09087	4.0
202.06252	0.7
202.07927	0.7
203.06981	4.3
203.08682	0.7
203.10716	1.2
205.06799	0.6
205.08502	2.6
207.08173	1.0
207.10013	0.9
209.06166	1.0
209.08096	2.1
209.09811	1.1
211.07637	0.9
213.09129	4.7
215.06982	3.2
215.10594	1.2
217.06642	0.9
217.08551	5.7
217.10196	0.5
218.07246	0.6
219.08090	1.6
219.10168	5.0
221.07990	0.9
223.07446	1.3
224.08354	0.6
225.09158	1.8
226.06149	1.1
226.15770	0.6
227.10585	0.9
229.08609	2.1
231.08127	1.2
231.10245	2.7
232.08737	0.8
233.08022	1.1
233.11659	3.4
235.07509	1.4
235.09669	0.6
237.08980	0.9
237.11139	1.2
239.10652	1.4
241.08565	5.0
243.10194	0.7
244.08902	0.7
245.09665	1.4
245.11848	1.1
246.10213	0.8
247.07474	1.2
247.09662	1.0
248.08260	1.7
249.09077	1.8
249.11322	1.3
250.06203	0.9
250.09721	0.8
251.07149	0.6
251.12717	0.9
253.08508	1.2
255.10117	1.9
257.09552	1.8
258.10419	0.9
259.07330	1.2
259.09692	1.4
260.08365	0.8
261.09061	2.1
261.11337	2.2
262.06268	0.8
262.09790	0.8
263.07028	0.7
263.10580	1.2
265.08475	1.4
266.09286	1.4
267.10159	1.6
271.07373	0.6
272.08282	1.2
273.08954	1.3
273.11502	1.0
274.09680	1.2
275.10553	1.9
276.07837	1.2
276.11096	0.6
277.08569	2.5
277.12045	0.5
278.09305	1.7
279.07123	0.6
279.10165	1.6
281.07993	0.9
283.09705	0.7
285.08868	0.7
286.09616	1.2
287.12805	1.5
288.07852	1.3
288.11282	0.8
289.08530	1.5
289.11990	1.1
290.09348	1.7
291.09967	2.4
293.08115	1.2
293.11661	1.6
294.08646	0.9
295.09567	1.0
296.10770	0.6
297.11322	1.8
299.13004	5.0
301.08612	1.5
301.11841	0.8
302.09366	1.1
303.10159	3.4
303.13229	0.6
304.07559	0.6
304.10947	1.5
305.08276	1.2
305.11368	2.9
306.08835	1.4
307.09601	1.8
307.13071	0.9
308.10370	1.6
309.11166	1.8
311.12802	5.3
312.12967	0.6
313.11960	0.8
314.09286	1.0
315.10236	1.4
316.10828	1.2
317.08466	0.7
317.11279	2.9
319.09589	1.8
319.13159	0.9
320.10477	1.2
321.11169	5.4
322.11887	1.6
323.12778	2.4
325.14328	2.4
328.13065	1.6
329.11716	1.1
330.12305	0.7
331.09906	0.7
331.13171	3.1
333.11276	2.1
334.12051	1.4
335.12704	4.2
336.13287	0.7
337.10776	1.0
337.14307	4.6
339.12393	0.8
341.14133	1.2
342.14560	0.7
343.15372	0.9
344.10373	0.8
345.11139	1.2
345.14828	0.8
346.11942	0.9
347.12793	2.2
348.13370	1.7
349.10645	0.8
349.14413	3.0
351.12173	1.1
351.15994	1.1
353.13824	3.5
355.15198	2.0
359.12656	1.5
361.14453	1.6
363.15945	1.7
365.13794	4.6
366.14249	0.8
367.15421	5.7
368.15781	1.0
369.17175	0.9
373.14456	2.6
376.13153	0.8
377.13535	0.9
377.17767	0.8
379.15424	2.6
380.15964	1.0
381.16998	2.9
383.14685	1.2
387.15991	1.4
390.14890	0.7
391.15359	1.6
395.18930	2.7
397.16476	2.4
405.17059	6.1
406.17130	1.0
423.17987	11.1
424.18335	1.4
441.18704	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.223
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80658	1.7
58.52828	1.8
59.16656	1.7
72.65520	1.5
95.37645	1.6
98.97562	4.1
115.05491	3.3
123.04443	5.6
132.08086	4.6
135.04491	1.8
139.03862	2.9
145.02856	2.3
147.04430	2.3
160.07581	100.0
161.07965	3.7
163.03888	3.1
177.10193	14.8
223.02405	2.5
237.02847	4.3
245.04437	3.5
247.05124	2.0
255.03755	2.0
258.29135	2.4
261.02927	4.1
315.04813	2.3
321.04620	1.8
324.26971	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01865	0.8
55.05513	3.1
57.03434	0.3
57.17305	0.3
57.72213	0.3
65.03936	0.6
67.05505	3.2
67.74108	0.3
69.03425	1.3
69.07062	0.7
71.04993	0.5
78.01963	0.3
79.05492	2.7
81.07060	2.2
83.04984	8.7
84.05312	0.3
89.44393	0.3
91.05485	4.7
93.07045	5.3
95.04965	1.5
95.08616	6.1
96.08928	0.3
97.06554	0.5
104.25555	0.3
105.04526	0.3
105.07040	4.5
107.08589	3.0
109.06495	1.2
109.10140	1.1
111.04445	3.4
111.08076	2.3
113.06004	0.4
115.05448	1.0
117.07035	1.7
119.08579	4.1
121.06519	2.0
121.10138	0.9
123.08051	1.4
128.06247	1.5
129.07039	2.8
130.07782	0.7
131.08577	3.7
133.06493	0.6
133.10136	2.8
135.08046	1.6
137.05965	0.4
139.07515	0.7
141.06985	3.5
142.07782	1.7
143.08568	2.5
144.09250	0.6
145.06488	1.4
145.10138	2.6
146.01244	0.3
146.07307	0.4
147.08057	1.1
147.11687	1.4
152.06204	0.8
153.07011	3.0
154.07774	4.0
155.08563	6.5
156.09274	1.2
157.06538	0.9
157.10168	2.5
158.07281	0.8
159.08073	2.5
159.11665	2.5
161.09625	1.5
163.11241	0.4
165.07016	2.7
166.07727	1.0
167.08571	3.6
168.09322	1.5
169.06413	0.5
169.10144	8.3
170.10614	0.8
171.08060	0.9
171.11720	1.5
172.08777	0.6
173.09613	2.6
175.11212	1.2
178.07759	2.3
179.08566	4.7
180.09335	2.0
181.06522	1.1
181.10123	2.5
182.07301	1.4
182.10873	0.9
182.25743	0.3
182.94211	0.3
183.08005	1.0
183.11688	2.5
185.09636	1.4
185.13290	1.0
187.11180	2.3
187.31728	0.4
189.07016	0.7
189.12784	0.4
190.07742	0.7
191.08614	1.6
191.10258	0.3
192.09348	5.7
193.10120	4.3
194.10793	1.4
195.08130	2.4
195.09909	0.4
195.11703	3.6
196.08827	0.6
196.12326	0.9
197.09615	12.8
197.13329	1.0
198.10098	0.7
199.11183	0.8
202.07799	1.2
203.08530	2.2
204.09392	2.3
205.10153	2.9
205.12064	0.5
206.10886	3.3
207.08038	0.6
207.11693	7.0
208.08859	0.5
208.12354	0.9
209.09593	1.9
209.13210	2.1
210.10204	0.4
211.11192	1.8
211.14842	0.5
215.08620	2.4
215.10550	0.5
216.09357	2.3
217.10095	3.2
218.07347	0.5
218.10815	2.2
219.08125	0.8
219.11690	5.9
220.08768	0.8
220.12408	1.9
221.09613	1.4
221.13194	3.2
222.10356	1.0
222.14029	0.4
223.11150	2.1
225.12782	1.3
227.08588	0.6
228.09338	1.3
229.10156	5.4
230.10860	3.4
230.86784	0.3
231.08127	0.6
231.11705	4.7
232.08838	1.2
232.12387	2.3
233.09593	2.3
233.13240	2.7
234.10434	2.0
234.13757	0.9
235.11186	5.5
235.14903	0.9
236.11897	1.2
237.12682	3.0
239.08638	0.8
239.14331	0.7
240.09349	0.5
241.10284	1.8
242.10873	2.9
243.11674	6.7
244.08813	0.8
244.12450	6.7
245.09541	1.7
245.13220	4.7
246.10405	1.4
246.13956	1.5
247.11191	6.2
247.14838	1.8
248.11905	1.8
249.12747	6.8
250.13260	0.7
251.14261	0.5
252.09445	0.5
253.10132	1.3
254.10916	1.1
255.08054	0.4
255.09012	0.3
255.11711	3.4
255.14040	0.5
256.12427	3.5
257.09738	1.2
257.13229	6.1
258.10388	1.1
258.14017	4.8
259.11426	2.1
259.14807	6.1
260.11987	1.5
260.15561	1.4
261.12769	3.1
261.16275	1.0
262.13428	0.9
263.14346	2.0
266.10834	0.7
267.11682	1.8
268.12509	1.7
269.09808	1.0
269.13281	5.0
270.10526	0.9
270.14017	3.8
271.11179	3.3
271.14813	4.7
272.12299	2.2
272.15506	3.0
273.12802	3.0
273.16412	4.5
274.13547	0.6
274.17056	1.3
275.14316	3.1
275.17899	0.8
277.15833	1.2
279.11765	0.6
280.12466	1.2
281.13223	1.3
282.14059	1.4
283.11215	1.4
283.14825	3.6
284.12054	1.5
284.15591	3.6
285.12781	3.9
285.16403	5.0
286.13498	2.7
286.17026	1.7
287.14294	5.6
287.17917	2.3
288.14984	0.8
289.15897	1.5
292.12656	0.4
293.13113	0.8
294.13925	1.0
295.11823	0.4
295.14658	1.7
296.12073	0.7
296.15479	0.7
297.12756	2.4
297.16360	1.1
298.13507	2.1
298.16913	0.7
299.14331	4.5
299.17969	4.5
300.15063	3.4
300.18652	1.8
301.15878	9.1
301.19269	1.2
302.16608	3.5
303.17450	3.4
304.18112	0.6
306.14105	0.4
307.14627	0.4
308.15695	0.6
309.12814	0.5
309.16177	1.8
310.13495	0.6
310.16895	0.5
311.14349	1.5
311.18027	0.9
312.15115	2.4
312.18484	0.4
313.15854	3.7
313.19562	1.2
314.16605	1.4
314.20288	1.8
315.17435	2.6
315.20770	0.4
316.17999	0.7
323.14288	0.9
323.17862	0.7
324.15125	0.7
324.18634	0.7
325.15866	0.9
325.19409	0.6
326.16623	0.7
327.17426	11.8
328.17807	1.9
329.18948	4.0
330.19711	1.1
331.20581	1.9
335.17987	0.4
337.15906	0.7
338.16736	0.4
339.17490	1.0
340.18097	0.7
341.18979	3.0
342.15649	0.4
342.19751	7.9
343.20432	1.9
345.18509	0.7
350.16791	0.5
351.17538	0.5
352.18155	0.5
353.19003	1.1
365.19211	0.7
366.19690	0.5
367.20505	1.3
377.22833	0.4
380.21310	0.4
381.22101	1.1
393.18298	0.4
395.23868	2.8
399.18823	0.4
399.23288	4.7
400.23703	0.6
405.21994	1.6
408.20761	0.6
413.24716	7.0
414.25095	0.9
423.23148	9.2
424.23483	1.2
426.22037	0.8
441.24249	100.0
442.24576	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30041	0.7
50.79662	0.8
52.03558	0.9
53.03941	1.7
55.01870	2.1
55.05497	3.7
61.27435	0.8
66.75851	0.7
67.05502	6.4
69.03424	3.4
69.07052	2.7
69.13129	1.4
69.13535	5.4
79.05503	6.3
79.95730	0.7
81.07047	7.1
83.04965	4.9
83.08587	1.0
91.05481	10.1
93.07034	7.9
95.04961	3.1
95.08611	8.1
96.22363	0.7
96.22999	0.9
97.06529	1.7
98.02718	0.7
99.04461	0.8
105.07028	11.8
107.04971	0.9
107.08598	7.9
109.06514	2.2
109.10155	2.9
111.04440	2.8
111.08086	1.8
115.05444	2.2
117.06982	4.7
119.08588	11.1
121.06502	2.6
121.10126	4.0
123.08083	2.2
123.11684	1.2
128.06215	6.8
129.07002	8.5
130.07803	1.7
131.04939	1.0
131.08580	8.2
133.06502	5.4
133.10144	6.2
135.08044	4.7
135.11684	2.5
137.05940	2.3
137.09610	1.3
139.07530	0.8
141.06984	6.4
142.07788	10.0
143.08568	14.0
144.09343	1.8
145.06491	2.3
145.10132	8.1
147.08031	3.1
147.11679	2.1
149.09619	1.1
149.13139	0.9
151.07570	1.5
152.06274	1.0
153.06978	2.8
154.07767	3.3
155.08565	10.3
156.09338	10.2
157.06514	4.2
157.10135	13.7
158.07275	1.4
159.08093	4.5
159.11696	3.9
161.09637	4.4
161.13319	1.0
163.11128	1.1
165.06985	6.3
165.09094	4.2
166.07771	3.1
167.08565	6.3
168.09366	2.9
169.06451	2.3
169.10121	13.3
170.07176	1.4
170.10774	1.3
171.08087	9.5
171.11693	18.0
172.08751	2.0
172.12172	1.3
173.09625	6.4
173.13287	2.2
175.07498	0.9
175.11226	3.1
175.14790	1.0
177.09116	0.8
178.07805	2.5
179.08563	7.7
180.09352	5.9
181.10081	6.1
182.07230	2.0
182.10884	2.9
183.08020	2.1
183.11682	3.9
184.08820	3.6
185.09601	11.0
185.13245	2.2
186.10236	1.4
187.11154	3.2
187.14845	1.2
189.09103	3.7
189.12738	1.4
191.08540	3.2
192.09335	2.9
193.10141	6.9
194.07227	1.0
194.10938	4.4
195.08060	2.9
195.11690	9.8
196.08820	2.3
196.12250	0.9
197.09569	9.2
197.13211	5.0
198.10260	1.5
199.11180	11.6
200.11870	1.5
201.12712	4.4
203.08675	1.8
203.10690	2.4
204.09355	2.2
205.10162	4.5
206.10895	4.9
207.07990	1.7
207.11740	8.8
208.08830	2.4
208.12476	1.6
209.09616	5.2
209.13261	8.0
210.10291	1.6
210.13794	1.0
211.11174	4.8
211.14786	3.1
213.12778	4.3
215.08600	2.0
215.14191	0.9
216.09328	2.6
217.10117	3.4
217.12254	2.4
218.10869	2.7
219.08096	1.3
219.11659	5.4
220.08971	0.9
220.12399	2.2
221.09659	3.5
221.13219	8.6
222.10365	2.5
222.13991	1.4
223.11163	9.8
223.14760	2.2
224.11768	1.7
224.15385	1.2
225.12730	4.9
228.09201	1.0
229.10156	2.7
229.12225	0.9
230.10976	2.7
231.11732	4.7
231.13750	1.3
232.12494	3.1
233.09666	1.8
233.13284	4.1
233.15343	1.1
234.10303	2.0
234.13895	0.9
235.11121	5.8
235.14767	2.2
236.11906	2.4
237.12706	9.8
238.13264	1.6
239.10645	2.0
239.14276	2.7
241.12160	1.5
243.11690	4.1
243.13885	1.1
244.12427	2.5
245.09584	2.3
245.13202	4.8
246.10384	1.7
246.13866	1.4
247.11194	3.7
247.14844	2.3
248.11835	1.3
249.12785	6.6
251.14380	2.7
253.09982	1.3
253.12305	2.1
254.11014	1.0
255.13896	2.0
256.12485	1.9
257.13284	3.9
258.10269	1.0
258.14011	1.7
259.11191	2.7
259.14828	4.1
260.11859	1.7
261.12686	3.4
261.16339	2.0
263.14313	3.3
267.11520	1.3
267.13962	1.0
268.12466	1.3
269.13251	3.1
270.13986	2.4
271.11383	1.8
271.14801	3.2
272.11880	2.5
272.15384	1.4
273.12711	4.1
273.16306	2.5
275.14322	4.1
275.17834	1.5
277.16031	1.0
281.12988	1.5
282.13947	1.3
283.14719	1.8
284.12140	1.0
284.15454	2.7
285.12851	2.0
285.16296	2.6
286.13663	1.4
287.14334	4.7
287.17673	1.4
289.15955	3.9
293.13065	1.1
294.14066	1.1
295.14746	1.9
296.12051	0.9
296.15466	2.3
297.12778	1.6
297.16006	1.1
298.13403	1.7
298.17072	1.0
299.14417	2.1
299.17972	2.7
300.15033	1.8
300.18390	1.5
301.15787	3.8
301.19370	2.0
302.16531	1.5
303.17401	3.2
303.20847	0.9
309.12762	1.2
309.16415	2.1
311.14325	1.6
311.17950	2.1
312.14786	1.1
313.15918	2.6
313.19370	1.0
314.20074	1.7
315.17352	1.6
315.20999	2.0
321.12607	0.9
322.16977	1.2
323.14221	1.1
325.15881	1.9
325.19400	1.1
327.17548	4.6
329.18948	2.8
333.16183	1.2
335.14133	1.1
337.15683	1.8
337.19296	1.1
339.17435	2.4
341.18948	1.3
342.19815	2.1
343.20544	3.4
347.14203	1.8
351.17337	2.0
353.19058	2.1
365.15082	1.2
365.19086	1.3
367.20648	1.1
375.17407	1.0
377.22382	1.3
381.18143	1.2
381.22247	2.0
383.20108	1.6
390.20004	1.1
393.18579	1.1
395.23740	6.5
399.18857	1.8
399.23557	4.0
400.23373	0.9
405.21832	4.0
413.24756	87.8
414.25079	11.9
423.23230	19.2
424.23526	3.0
426.22012	1.3
441.24188	100.0
442.24527	13.6
459.25375	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03998	1.0
55.05585	4.4
64.35252	0.4
67.05202	0.4
67.05573	1.5
67.24249	0.5
69.03488	1.1
69.07125	0.8
69.60547	2.5
79.05595	2.6
81.07151	1.5
83.05080	5.9
91.05585	3.2
93.07149	2.4
95.05051	1.1
95.08713	1.4
101.87106	0.5
105.03479	1.2
105.07159	4.3
107.08610	4.1
109.06644	1.1
109.10288	0.7
111.04560	1.1
115.05585	1.0
117.07158	1.9
119.08603	2.8
121.10272	0.9
128.06221	2.6
129.07013	4.6
130.07884	1.0
131.08716	3.1
133.06517	4.4
133.10266	1.6
135.08170	0.8
135.11757	0.6
141.06990	2.8
142.07771	5.0
143.08566	5.8
144.09398	1.0
145.10173	2.6
147.08099	0.8
147.11809	1.1
152.06244	0.6
153.07074	1.1
154.07883	1.8
155.08588	3.7
156.09354	6.7
157.06590	0.8
157.10126	7.3
159.08151	0.8
159.11876	2.0
161.09729	1.1
165.07011	2.4
166.07939	1.3
167.08537	3.7
168.09528	0.6
169.06616	1.3
169.10135	10.0
171.08043	2.8
171.11693	11.0
172.12329	0.9
173.09729	1.1
173.13420	1.1
178.07755	1.1
179.08583	4.0
180.09479	2.2
181.10129	3.6
182.07388	1.6
182.10973	1.1
183.08180	0.8
183.11687	2.5
184.08926	0.9
185.09613	4.4
185.13429	2.0
189.09201	1.2
191.08632	0.7
192.09505	1.5
193.10147	3.4
194.09258	0.7
194.10901	2.8
195.08258	0.7
195.11729	5.6
196.12299	0.6
197.09627	3.9
197.13435	2.0
198.10393	0.6
199.11179	4.3
200.11830	0.6
203.08578	0.8
205.10233	1.1
206.11090	2.2
207.08087	0.6
207.11629	4.1
208.08922	0.6
208.12523	1.2
209.09695	0.9
209.13239	6.1
209.14917	0.5
210.10368	0.6
210.14066	1.0
211.11386	1.5
211.14804	2.4
213.12900	1.0
215.08710	0.6
217.10220	1.2
218.10986	0.5
219.11787	1.9
220.12540	1.2
221.09781	1.5
221.13208	4.7
222.10477	1.0
222.14043	0.6
223.11182	4.5
223.14803	2.8
225.12914	0.8
229.10225	0.7
230.10997	1.2
231.11790	1.7
232.12527	0.9
233.09596	0.6
233.13441	1.6
234.13948	0.6
235.11441	1.3
235.14832	1.0
237.12776	2.9
239.14450	1.0
241.12279	1.0
243.11861	1.4
244.12411	0.7
245.13358	2.2
246.14145	1.0
247.11418	0.8
247.14961	1.2
249.12715	0.9
253.12320	1.1
257.13385	1.4
258.14099	0.8
259.14917	1.9
261.12723	0.6
261.16415	0.6
269.13376	1.5
270.14172	1.1
271.14966	1.0
273.12946	0.6
273.16330	1.3
275.14505	1.1
275.18146	0.9
281.13361	0.6
283.14963	1.2
284.15704	0.8
285.16418	0.9
287.14526	0.8
295.15118	0.7
296.15720	0.8
297.16415	0.7
298.17307	0.5
299.17999	1.5
301.16245	0.8
301.19534	1.1
309.07611	0.8
311.18103	0.9
314.20322	0.7
315.20956	2.9
325.19287	0.6
341.10202	1.2
343.20746	0.5
377.22665	0.7
383.20087	0.9
384.12466	0.6
395.23697	2.0
398.22342	1.6
399.23318	0.9
405.22379	0.9
413.24750	100.0
414.25079	12.4
423.23328	1.5
426.21814	0.7
441.24225	27.9
442.24469	3.6
459.25247	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
55.01870	0.6
55.05509	3.2
57.03440	0.5
58.57026	0.3
65.03931	0.4
66.31734	0.2
67.05499	3.3
68.24232	0.2
69.03413	0.9
69.07061	0.3
69.10906	2.1
71.04969	0.2
79.05489	1.8
81.03386	0.2
81.07055	2.0
83.04979	8.5
84.05309	0.4
84.99186	0.3
91.05477	4.3
93.07044	5.6
95.04961	1.2
95.08601	6.0
97.02853	0.3
97.06535	0.3
99.04430	0.3
103.05462	0.2
105.04527	0.4
105.07030	4.3
107.04948	0.4
107.08591	2.2
109.06521	0.5
109.10141	0.4
111.04454	3.9
111.08057	2.1
113.06045	0.4
115.05428	1.1
116.06199	0.3
117.06999	1.4
119.08579	3.8
121.06507	1.1
121.10137	1.0
123.08057	0.8
128.06209	1.7
129.06987	2.5
130.07747	0.7
131.08559	3.3
132.09293	0.2
133.06516	0.5
133.10117	2.4
135.08061	1.0
139.07565	0.7
141.06970	2.7
142.07751	1.4
143.08560	2.2
144.09332	0.8
145.06483	0.8
145.10095	2.3
147.08051	0.9
147.11650	0.8
152.06166	0.5
153.07005	2.3
154.07755	4.5
155.08551	7.2
156.09309	0.9
157.06554	0.3
157.10149	2.2
158.07253	0.5
159.08073	1.7
159.11644	1.9
161.09607	0.9
165.06973	2.9
166.07767	0.6
167.08568	3.0
168.09322	1.3
169.06497	0.8
169.08656	0.5
169.10126	9.5
170.10544	0.7
171.08038	0.9
171.11653	1.2
173.09630	0.9
173.13335	0.3
175.11197	0.7
178.07761	1.9
179.08546	4.6
179.10065	0.3
180.09326	1.9
181.06477	1.1
181.10115	2.1
182.07225	1.7
182.10901	0.4
183.08087	0.7
183.11649	1.5
185.09641	0.5
185.13228	0.6
187.11200	1.0
189.07036	0.3
190.07797	0.5
191.08488	1.3
192.09337	4.2
193.10129	4.6
194.07228	0.5
194.10825	2.1
195.08073	1.8
195.11681	3.8
196.08743	0.7
196.12355	0.5
197.09604	12.4
197.13287	0.6
198.10101	0.8
202.07793	1.0
203.08592	2.0
204.09352	1.7
205.10110	3.0
205.11957	0.4
206.10863	2.8
207.08180	0.4
207.11665	7.1
208.08839	0.6
208.12350	1.0
209.09645	1.4
209.13205	1.5
210.10338	0.5
211.11189	1.2
211.14803	0.3
215.08577	2.0
216.09351	1.7
217.10094	3.0
218.10869	2.2
219.08064	0.7
219.11652	4.7
220.08823	0.7
220.12416	1.5
221.09792	1.2
221.13223	2.8
222.10455	0.7
222.13948	0.5
223.11177	1.3
223.14658	0.4
225.12770	0.7
227.08635	0.4
227.14322	0.3
228.09218	1.2
229.10104	5.0
230.10901	3.5
231.08066	0.6
231.11668	4.2
231.13885	0.2
232.08803	0.6
232.12372	1.5
233.09676	1.3
233.13266	3.2
234.10394	1.1
234.13969	0.4
235.11163	3.8
235.14751	0.5
236.11842	1.0
237.12718	2.4
238.13005	0.3
239.08563	0.7
239.14432	0.2
241.10080	1.8
242.10873	2.8
243.08070	0.4
243.11667	6.1
244.08958	0.4
244.09682	0.4
244.12445	6.3
245.09604	1.1
245.13208	5.5
246.10355	0.6
246.13922	1.1
247.11220	2.5
247.14763	1.5
248.11919	1.1
249.12741	4.2
250.13472	0.6
251.14357	0.4
252.09424	0.5
253.10071	1.2
254.10915	1.1
255.11662	3.5
256.12439	3.7
257.09698	0.8
257.13202	6.9
258.10413	0.8
258.14011	4.9
259.11206	1.4
259.14819	7.2
260.11935	0.7
260.15491	1.5
261.12787	1.8
261.16299	1.1
262.13193	0.4
263.14124	1.1
265.10126	0.3
266.10812	0.5
267.11703	1.1
268.12424	1.7
269.09622	0.9
269.13239	4.2
270.10706	0.5
270.14035	3.3
271.11240	1.9
271.14810	5.0
272.11963	1.5
272.15546	2.5
273.12802	2.1
273.16354	3.9
274.13449	1.0
274.17120	1.4
275.14301	1.8
275.17795	0.6
277.15814	0.4
279.11606	0.8
280.12393	0.7
281.13150	1.8
282.10754	0.4
282.14035	1.1
283.11252	1.0
283.14792	3.1
284.12000	0.7
284.15567	2.8
285.12732	2.9
285.16351	5.8
286.13470	2.0
286.16992	1.3
287.14273	4.1
287.17908	1.6
288.14911	0.7
288.18597	0.4
289.15741	0.7
289.19373	0.5
293.13214	0.7
294.13986	0.9
295.11856	0.3
295.14566	1.4
296.12323	0.4
296.15640	1.0
297.12750	1.6
297.16370	1.2
298.13419	1.4
298.17032	0.8
299.14313	3.1
299.17957	4.6
300.15033	1.8
300.18661	3.1
301.15866	5.8
301.19379	1.5
302.16592	2.7
302.19803	0.5
303.17502	2.0
304.17871	0.3
308.15543	0.3
309.12650	0.8
309.16318	2.1
310.17044	0.6
311.14288	1.1
311.17981	0.8
312.15054	1.4
312.18417	0.4
313.15817	2.9
313.19522	1.9
314.16577	1.3
314.20261	1.8
315.17410	1.9
315.20816	0.4
316.18011	0.5
321.16501	0.4
322.17133	0.2
323.14233	0.7
323.18021	0.6
324.15344	0.5
324.18723	0.7
324.26199	0.3
325.15692	0.7
325.19348	0.5
326.16571	0.6
327.13663	0.5
327.17407	8.8
328.17859	1.3
329.19012	3.0
330.19370	0.4
331.20486	2.1
333.16177	0.3
337.15662	0.3
338.16724	0.3
339.17273	0.6
340.18167	0.4
341.19006	2.0
342.19791	5.5
343.20453	1.0
345.18350	0.4
347.17889	0.3
351.17508	0.4
352.18134	0.3
353.19028	0.7
366.19922	0.5
367.20465	0.6
380.21582	0.3
381.22293	0.5
384.20789	0.4
385.18185	0.3
395.23740	1.7
398.22348	0.3
399.18088	0.4
399.23196	7.9
400.23587	1.2
405.22058	0.9
408.20807	0.5
411.19254	0.4
413.24728	6.1
423.23135	5.8
424.23572	0.5
426.21927	0.6
441.24213	100.0
442.24564	12.8
459.25015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44938	0.3
53.03942	1.0
55.01880	0.8
55.05514	2.3
65.03936	0.8
67.05504	2.7
69.03433	0.7
69.05964	3.5
69.07065	0.4
79.05495	1.8
80.93587	0.3
81.07053	1.9
83.04982	7.4
91.05475	4.2
93.07052	4.8
95.04972	1.1
95.08605	5.0
97.06547	0.5
99.04436	0.5
105.07022	4.0
107.04999	0.3
107.08605	2.3
109.06519	1.3
109.10173	0.7
111.04445	3.3
111.08084	2.0
115.05452	0.8
117.07013	1.7
119.08575	3.3
121.06521	1.0
121.10122	0.9
123.04531	0.3
123.08058	1.3
125.05993	0.5
128.06210	1.4
129.06993	2.6
130.07805	0.4
131.08582	3.1
133.06459	0.4
133.10132	2.2
135.08092	1.3
137.05962	0.5
139.07578	0.8
141.07011	2.0
142.07784	1.1
143.08572	2.8
144.09361	0.5
145.06512	1.0
145.10104	1.8
147.08084	0.8
147.11676	0.8
149.09621	0.5
153.06989	1.7
154.07805	3.7
155.08546	7.0
155.09819	0.4
156.09299	0.8
157.06491	0.5
157.10158	2.0
158.07214	0.4
159.08076	1.2
159.11661	1.8
161.09595	1.3
165.06985	1.9
166.07782	0.6
167.08554	2.3
168.09322	1.3
169.06522	0.5
169.10127	7.8
170.10620	0.6
171.08101	0.9
171.11710	1.2
172.08916	0.5
173.09648	1.6
175.11203	0.6
178.07826	1.4
179.08569	3.9
180.09328	2.5
181.06561	0.7
181.10091	2.4
182.07277	1.3
182.10844	0.4
183.08031	0.5
183.11699	1.6
185.09682	0.9
187.11174	1.6
190.07701	0.4
191.08595	1.2
192.09366	3.9
193.10115	4.1
194.10823	1.7
195.08049	1.6
195.11702	3.9
196.08913	0.5
197.09616	10.2
197.13319	0.8
198.10260	0.6
199.11195	0.6
202.07834	0.5
203.08569	1.6
204.09305	1.3
205.10146	2.5
205.12053	0.6
206.10898	3.3
207.08099	0.3
207.11710	6.3
208.08826	0.6
208.12334	1.0
209.09653	1.4
209.13266	1.3
211.11241	0.9
213.12762	0.5
215.08607	2.2
215.10483	0.6
216.09311	1.8
217.10114	2.8
218.10872	1.5
219.08128	0.7
219.11674	4.4
219.13673	0.6
219.41115	0.3
220.09007	0.6
220.12460	1.5
221.09642	1.0
221.13234	2.6
222.10468	0.6
223.11169	1.8
225.12756	0.8
227.08548	0.5
228.09366	1.1
229.10094	4.7
230.10913	3.4
231.08101	0.6
231.11684	4.1
232.08850	0.6
232.12466	1.7
233.09634	1.0
233.13190	3.5
234.10387	0.7
234.14024	0.5
235.11223	4.1
235.14755	0.7
236.11975	0.9
237.12801	2.6
238.13242	0.5
241.10159	1.4
242.10837	2.3
243.11682	6.3
244.12460	4.9
245.09729	1.7
245.13216	5.2
245.15363	0.5
246.10475	1.2
246.13890	1.6
247.11166	3.2
247.14885	1.3
248.11980	1.0
249.12808	3.6
250.13298	0.4
251.14400	0.6
253.10129	1.5
254.10837	0.7
255.11699	2.2
256.12445	3.4
257.09967	0.7
257.13217	6.5
258.10333	0.5
258.11087	0.5
258.14029	4.5
259.11212	1.7
259.14828	7.1
260.11981	0.9
260.15497	1.5
261.12830	2.1
261.16376	1.3
262.13336	0.4
262.16974	0.5
263.14310	0.7
265.10062	0.5
266.11002	0.4
267.11768	1.1
268.09692	0.3
268.12512	1.4
269.10254	0.5
269.13242	4.1
270.11035	0.6
270.13934	3.5
271.11182	1.6
271.14813	4.8
272.11948	1.4
272.15543	1.8
273.12769	1.1
273.16373	3.9
274.13718	0.5
274.17139	1.1
275.14316	1.7
275.17685	0.7
277.15744	0.5
279.11612	0.6
280.12531	0.6
281.13300	1.1
282.14142	0.7
283.11508	0.7
283.14804	3.2
284.12411	0.6
284.15628	2.6
285.12802	2.6
285.16379	5.1
286.13486	2.1
286.17059	1.2
287.14325	3.5
287.17914	1.8
288.14893	0.9
289.15753	0.8
294.13885	0.7
295.14713	0.6
295.84595	0.4
296.15472	0.5
297.12738	1.1
297.16388	1.9
298.13492	1.3
298.17239	1.0
299.14340	2.4
299.17957	4.8
300.15060	2.0
300.18719	2.1
301.12527	0.7
301.15823	5.3
301.19110	0.6
302.16599	2.4
303.17465	1.9
304.18176	0.5
309.12869	0.7
309.16425	1.8
310.17249	0.7
311.14352	0.9
311.17902	0.9
312.15115	1.6
313.15857	2.5
313.19501	1.3
314.16602	1.3
314.20282	1.3
315.17432	1.7
315.20694	0.5
320.15482	0.5
323.18039	0.7
325.15979	0.8
325.19449	0.9
326.16641	0.4
327.17435	7.2
328.18100	0.9
329.18970	2.2
330.19678	0.4
331.20517	1.2
338.20276	0.5
339.17377	0.6
339.21231	0.5
340.17926	0.4
341.18988	1.6
342.19812	4.8
343.20496	1.2
365.18912	0.7
367.20395	0.6
381.22388	0.8
395.23907	1.6
397.25861	0.5
399.23184	7.1
400.23779	0.8
405.22217	0.4
408.20737	0.5
413.24802	6.4
414.25171	0.7
423.23175	6.4
424.23615	0.8
426.21857	0.5
441.24237	100.0
442.24588	11.6
459.25546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11318	0.6
51.61161	0.6
55.01870	1.2
66.92258	0.8
67.05492	1.0
69.03430	2.1
69.07066	1.9
70.07411	0.7
70.17649	2.3
71.04986	0.9
73.02922	1.0
74.73628	0.7
79.05496	1.2
80.62372	0.7
81.07064	2.6
83.04984	1.0
85.02894	2.5
91.05480	1.6
93.07032	1.8
95.08647	1.1
97.02882	1.1
99.04469	1.0
105.07059	2.1
107.08568	1.0
109.06529	1.6
113.49299	0.7
114.53825	0.7
117.07070	0.8
119.08614	0.8
125.19338	0.6
127.03908	1.1
129.05495	1.2
129.12758	1.1
131.08559	1.7
133.10199	1.0
135.08080	0.8
135.91530	0.6
137.06038	0.8
143.08557	1.5
145.05008	1.0
145.10066	0.8
155.08542	0.9
157.10110	0.9
161.09618	1.5
165.09116	2.7
173.06892	0.7
173.09529	0.8
184.34795	0.7
187.11105	0.8
201.03674	7.5
203.05263	8.7
240.76816	0.7
256.49222	0.7
261.18298	3.1
262.94962	0.7
263.19809	9.6
279.15775	1.4
281.61279	0.7
311.05356	1.6
320.56186	0.8
339.68182	0.8
355.17300	1.4
389.15912	1.2
397.18228	4.8
407.17160	0.9
423.24719	2.1
428.29379	0.8
441.11658	2.7
441.17612	9.9
441.24637	100.0
442.18454	1.4
442.24945	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2459
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
51.19238	0.6
69.07057	0.8
69.19479	0.5
69.19756	0.9
69.20151	3.3
70.07410	0.5
72.90184	0.5
73.02896	0.7
81.41138	0.6
85.02882	1.1
97.02924	0.5
112.12089	0.6
115.42081	0.5
187.51140	0.5
201.03717	8.3
203.05249	7.0
261.18213	3.6
263.19830	11.1
369.51901	0.5
397.18295	0.5
441.24570	100.0
442.24799	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2461
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
51.99665	0.3
55.01877	0.5
55.05528	0.3
57.03442	2.6
61.02935	1.8
66.65614	0.3
67.05492	0.5
69.03426	3.9
69.07061	0.3
69.20039	2.4
73.02916	6.2
78.25652	0.3
79.05482	0.5
81.03444	0.6
81.07047	0.8
83.04985	0.3
85.02905	12.5
87.04486	0.4
91.03963	0.6
91.05488	0.6
93.07037	0.4
95.04983	0.3
95.08612	0.6
97.02883	5.9
97.06531	0.3
98.23360	0.6
99.04449	0.7
105.07043	0.4
107.08559	0.5
109.02877	1.0
109.10166	0.6
115.03931	3.6
123.08048	0.3
127.03910	3.1
133.04993	0.8
133.10258	0.3
135.07942	0.3
143.08583	0.5
145.04965	5.8
145.06342	0.5
147.11711	0.4
151.07565	0.6
156.09232	0.3
163.06052	3.8
163.07414	0.5
165.09114	1.7
173.13170	0.3
191.10487	0.3
203.05255	3.8
205.08691	0.3
205.12045	0.3
217.12299	0.3
241.07185	0.4
259.08124	0.6
261.10275	0.3
261.18253	2.8
279.16138	0.5
279.19333	1.2
293.19531	0.3
295.10107	0.3
441.24609	100.0
442.24966	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
54.52772	0.4
55.05512	14.6
57.57149	0.4
62.25617	0.4
65.03932	0.6
67.05502	2.8
69.03436	1.1
69.07066	0.6
69.36870	2.8
71.04992	3.9
79.05504	2.1
81.07063	3.1
83.04984	100.0
84.05318	1.7
91.05489	3.5
93.07043	3.3
95.04975	1.5
95.08601	2.4
96.69824	0.4
97.02889	1.3
99.04457	2.5
105.03431	0.5
105.07025	5.2
107.08578	3.4
109.02882	1.4
109.06550	1.5
109.10155	1.6
111.04467	1.4
111.08074	0.5
115.05457	0.8
117.07031	2.0
117.41457	0.4
119.05005	0.6
119.08572	4.4
121.06524	1.3
121.10131	1.4
123.08029	0.7
128.06233	1.8
129.07048	3.2
129.07848	0.5
131.08591	3.4
133.06490	0.9
133.10158	2.6
135.08069	0.7
135.11684	0.6
136.20062	0.5
137.05969	2.3
137.09642	0.8
139.07529	0.6
141.06996	1.5
142.07782	2.2
143.08568	5.5
144.09335	0.5
145.06461	1.6
145.10156	3.3
147.08060	1.7
147.11694	1.3
149.09608	0.6
153.07002	0.8
154.07755	1.0
155.08575	3.0
156.09355	1.8
157.06494	2.6
157.10135	4.2
159.08055	1.2
159.11694	3.1
161.09601	2.6
165.07039	1.4
167.08582	1.8
168.09402	0.7
169.06497	0.7
169.10146	4.0
170.10965	0.9
171.08029	5.5
171.11694	4.3
172.08786	0.9
173.09550	2.4
173.13205	2.1
175.11237	0.6
175.14748	0.5
178.07880	0.8
179.08591	2.2
180.09373	1.1
181.06519	0.7
181.10114	3.5
182.07388	0.6
182.10892	0.9
183.08096	0.9
183.11659	2.7
184.08813	0.8
185.09598	2.3
185.13249	3.8
187.11189	1.2
187.14816	1.1
189.09138	0.8
190.07693	0.5
191.08646	0.6
192.09340	1.3
193.10181	2.1
194.07262	0.7
194.10841	1.3
195.08054	1.6
195.11702	2.1
196.08759	0.6
196.12421	0.7
197.09583	2.4
197.13293	1.7
199.11172	3.7
199.14828	0.7
201.09148	0.5
201.12781	1.4
203.10684	1.3
204.09268	0.5
205.10153	1.3
206.10902	1.5
207.10155	1.6
207.11757	1.4
208.08890	1.0
208.12411	0.7
209.09631	2.7
209.13280	1.8
211.11223	0.9
211.14822	1.7
213.05484	0.7
213.12787	1.5
213.16385	1.3
216.09291	0.5
217.10243	0.5
218.10944	0.8
219.11748	1.1
220.12613	0.6
221.13286	2.4
222.10466	1.1
223.11201	1.6
223.14841	1.6
225.12817	1.1
227.14252	0.6
228.09492	0.8
229.10165	0.6
229.12148	0.6
230.10858	0.7
231.11702	1.3
232.08900	0.7
233.09590	0.8
233.13275	0.9
235.11238	1.2
235.14748	1.1
236.11928	0.6
237.12798	1.3
237.16420	0.8
239.14313	1.9
241.16010	0.6
242.10654	0.7
243.11720	0.7
243.13959	0.5
245.13315	1.0
247.11220	0.9
248.11880	0.7
249.12802	1.9
250.13365	0.7
251.14355	4.9
253.05038	0.5
255.13846	0.5
257.09738	0.6
257.13058	0.7
257.15582	1.1
258.10315	0.8
259.11169	0.7
259.14719	0.5
259.17169	0.7
261.12811	0.8
263.14313	0.6
267.17551	1.3
268.03656	0.9
269.04303	1.1
270.10666	0.5
270.13889	0.7
271.11313	0.8
272.12015	1.0
273.12671	1.1
275.14313	0.8
281.13083	0.6
283.05969	1.1
284.11948	1.1
284.15369	0.7
285.09329	0.7
285.12772	1.0
287.14227	0.7
288.15082	0.7
295.20435	0.7
296.03043	0.8
297.12833	0.7
299.09097	0.7
299.14120	0.9
300.14932	0.8
301.15936	0.7
311.05545	2.1
313.15701	0.7
314.20053	0.5
315.13739	0.8
323.20148	0.7
327.17358	1.2
329.18970	0.7
337.15918	0.6
339.19849	0.5
341.20999	1.5
342.19638	0.8
343.08167	4.0
343.13031	1.0
343.20071	0.7
357.20731	1.0
361.65518	0.5
367.19067	0.6
380.17505	0.7
383.16202	1.0
385.20108	0.7
387.22934	0.6
395.24081	0.8
399.23441	0.6
405.24219	0.9
413.18655	0.6
413.24817	6.8
414.25076	0.7
423.16327	0.8
423.24127	5.9
424.25415	0.9
441.17032	4.3
441.24335	21.4
442.18393	0.8
442.24402	3.4
459.18283	0.8
459.25211	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01874	9.1
55.05517	15.5
56.62148	1.2
56.84899	1.1
57.03439	3.1
57.07072	1.1
59.04989	1.5
60.68617	1.1
67.05177	1.7
67.05509	22.0
67.88831	1.1
69.03475	1.3
69.05874	3.5
69.06291	6.5
69.07082	7.0
71.05009	2.5
71.73162	1.1
72.06282	1.0
79.05493	18.5
81.03420	1.2
81.07059	20.5
83.04978	7.8
83.08634	6.4
85.06575	2.1
91.05484	15.4
93.07050	14.2
95.04980	3.5
95.08606	19.8
97.06555	1.5
97.10166	7.3
97.79927	1.1
99.08068	1.6
105.07034	15.1
107.04982	3.3
107.08603	12.7
109.06521	1.8
109.10159	7.3
111.08077	3.1
115.05460	5.0
116.06305	1.2
116.09361	1.0
117.07043	6.0
119.08580	7.4
121.06509	12.5
121.10151	6.5
123.08097	4.1
123.11699	1.7
125.09683	2.1
128.06235	5.2
129.07022	20.7
130.07349	1.5
131.04904	12.1
131.08572	12.0
133.06497	6.1
133.10135	2.3
135.08099	3.3
137.05984	1.4
137.09618	2.6
141.06989	7.0
142.07771	2.2
143.08571	16.0
144.05701	7.0
145.06493	97.5
145.10176	4.1
146.06873	3.4
147.04498	1.4
147.08054	5.6
148.93874	1.3
151.07584	2.9
153.06934	1.5
155.08578	8.0
156.09242	1.3
157.06502	16.0
157.10147	5.3
159.04460	1.4
159.08061	13.0
159.11732	2.6
161.06001	7.9
161.09686	1.8
163.11342	1.4
165.07048	1.6
165.09128	10.3
167.08592	6.9
169.06473	10.7
169.10123	7.5
170.07265	1.5
171.08067	20.2
171.11703	2.3
173.09631	3.5
175.03957	1.3
175.07536	2.0
177.09171	2.6
179.08611	5.2
180.09538	1.2
181.06490	3.8
181.10129	5.5
183.08060	11.8
183.11679	3.3
184.08873	3.2
184.95049	1.1
185.09618	8.1
185.13307	2.3
187.11302	2.4
189.09166	1.9
191.10675	3.0
193.10182	3.3
194.07280	1.3
195.08023	6.5
195.11681	14.0
196.08780	2.0
197.09605	5.6
197.13275	8.3
198.10300	1.4
199.07495	1.4
199.11263	3.4
201.09146	2.2
203.10751	2.1
203.14348	2.6
205.10417	1.6
205.12291	3.3
205.40213	1.2
206.10986	1.2
209.09636	5.0
209.13260	4.2
211.11273	8.2
213.12804	5.1
215.14299	1.6
219.11716	2.8
221.09872	1.3
221.13287	2.4
222.10536	2.1
223.11212	5.3
225.12798	4.9
227.14333	12.4
231.13751	1.4
235.11156	3.9
235.14932	1.5
236.11873	1.5
237.12714	13.4
238.13472	1.5
239.14394	4.8
243.13892	2.0
249.12851	2.2
251.14430	1.8
253.16020	2.3
255.13828	23.9
256.14331	1.6
257.15399	3.1
263.14487	2.1
265.15823	2.3
267.17410	1.7
273.14886	42.8
274.15298	2.7
275.14407	2.5
277.15952	1.5
279.17358	1.1
281.15411	3.7
283.17032	4.0
293.15442	2.6
295.17007	3.0
297.18491	2.0
299.16473	5.2
311.16586	7.0
321.22122	2.6
323.20111	2.4
325.18015	1.7
331.20633	2.1
339.19644	1.7
339.23248	8.8
340.23880	2.4
349.21643	37.2
350.22025	2.6
367.22708	76.8
368.22998	6.6
377.24963	4.0
385.23737	9.1
387.23297	3.6
388.52194	1.2
395.25937	2.1
405.24152	13.7
423.25259	8.3
424.25436	1.5
441.26395	100.0
442.26770	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.5
55.01885	3.5
55.05514	11.0
56.05864	1.6
57.03440	2.6
63.09567	1.5
65.03955	3.6
67.05509	27.0
69.03434	12.7
69.07086	4.1
69.55149	1.9
71.05000	4.2
79.05486	15.7
81.07056	34.7
83.04984	28.9
83.08619	3.2
85.02940	2.6
85.06555	3.3
91.05487	23.7
93.07043	31.7
95.04964	10.9
95.08611	26.9
97.06536	5.9
99.04459	4.2
103.05466	2.2
105.07033	29.8
106.07378	1.8
107.08596	26.0
109.02885	4.9
109.06522	75.6
109.10169	12.4
111.04451	9.4
111.08103	8.0
115.05434	4.5
117.07026	13.3
119.04974	2.0
119.08575	22.3
120.08955	1.9
121.06530	9.3
121.10128	12.9
123.08119	7.0
123.11737	4.4
127.07558	5.3
128.06259	8.2
129.07002	11.4
130.07817	2.6
131.08597	18.2
133.06526	3.0
133.10121	18.6
135.08044	9.3
135.11719	3.9
137.05981	14.3
137.09630	2.2
139.07550	3.5
141.07063	8.8
142.07794	8.4
143.08563	19.3
144.09352	2.8
145.06503	7.1
145.10129	23.3
147.08092	6.1
147.11720	7.6
149.09639	5.9
151.07608	2.1
151.11212	2.1
153.07022	2.5
154.07805	4.6
155.07066	24.1
155.08562	13.7
156.09340	4.2
157.06523	3.3
157.10135	30.8
159.08009	8.6
159.11673	15.6
161.09636	12.9
161.13330	3.2
163.07574	2.7
165.07005	2.9
165.09174	4.1
166.07716	2.5
167.08629	5.6
168.07635	1.9
168.09361	4.2
169.10127	29.7
170.10808	4.3
171.08066	5.8
171.11693	22.9
172.08818	2.2
172.12274	2.8
173.09677	6.4
173.13223	9.3
175.11218	5.8
177.09175	5.4
179.08601	7.2
179.10707	12.4
181.06451	2.1
181.10085	11.3
182.10916	4.7
183.11688	17.0
184.12259	2.5
185.09668	7.0
185.13263	9.5
187.11234	6.3
187.14902	2.3
189.07072	2.5
189.09108	2.7
189.12775	2.6
191.08586	2.3
191.10695	3.6
192.09340	5.1
193.10187	8.2
193.12234	2.2
194.10927	4.5
195.08115	3.2
195.11699	17.5
196.12453	2.5
197.09604	20.9
197.13316	15.3
199.11169	10.9
199.14804	3.6
201.12805	5.6
203.08603	2.2
205.10399	4.2
205.12297	8.6
206.10977	4.7
207.11745	11.7
208.12437	4.3
209.09685	3.5
209.13193	10.6
211.11232	4.9
211.14871	6.9
213.12712	4.6
215.14291	2.1
216.09378	2.7
217.10109	5.0
217.12216	3.4
218.10962	3.4
219.11728	6.0
220.12354	4.0
221.09665	2.6
221.13258	10.4
223.11259	4.2
223.14841	10.0
225.12778	4.7
225.16476	7.6
227.14397	3.5
227.18082	2.6
229.10130	5.5
229.12241	4.4
230.10907	4.4
231.11728	5.8
231.13907	7.2
232.08858	2.6
232.12437	2.7
233.09767	2.1
233.13280	5.8
235.11206	5.5
235.14897	4.4
237.12622	3.6
237.16389	3.1
239.14365	6.0
239.17944	1.9
241.16084	2.2
242.10948	2.4
243.11694	7.6
243.13853	2.1
244.12541	5.9
245.09703	2.1
245.13203	5.1
245.15427	3.8
246.13922	2.2
247.11215	3.7
247.14809	5.5
249.12776	4.9
249.16428	6.7
251.14430	5.2
251.18031	6.2
253.16011	2.5
255.11604	2.8
255.13928	2.7
257.13181	6.9
257.15378	8.5
258.13965	4.0
259.11481	1.9
259.14670	8.7
260.12137	2.8
263.14377	5.4
265.15997	5.6
267.14499	2.0
267.17346	10.0
269.13120	2.8
269.15942	2.3
269.19125	7.9
270.13983	4.4
271.14822	6.7
272.12128	3.9
272.15283	2.8
273.12653	2.5
273.16602	4.2
281.13046	2.5
283.17188	8.4
285.13098	3.2
285.15997	4.2
285.18845	17.8
286.19189	2.6
287.14407	7.3
287.17264	2.7
287.20145	32.8
288.14835	3.0
288.20599	2.7
289.15933	4.4
291.17410	2.5
295.17081	3.3
297.12909	2.4
298.13309	2.6
299.14429	6.5
299.17841	2.5
300.15295	2.9
300.18777	2.8
301.15942	6.4
302.16620	5.1
303.17142	2.5
312.14819	2.3
313.15759	3.5
314.16611	3.6
315.17603	2.1
324.20944	4.5
327.17194	8.4
329.19116	3.1
331.20667	2.4
341.18958	3.2
342.19650	4.5
345.18417	2.9
353.19183	2.4
359.23599	2.2
367.22592	4.7
377.24887	4.2
381.17761	2.0
387.23254	8.0
395.24255	3.3
399.23462	4.1
405.24387	20.2
406.24762	3.4
413.24957	5.6
423.25449	37.7
424.25424	2.5
441.24954	100.0
442.25250	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2636
Annotation	Arieianal
Peak:m/z	Relative Intensity
50.69244	0.7
53.03939	0.8
55.01865	1.3
55.05507	4.9
55.08094	0.7
65.03942	1.3
67.05508	6.0
69.03419	2.3
69.07057	2.0
70.31123	0.7
71.29718	1.2
72.86008	0.7
79.05481	4.0
81.07056	4.3
83.04984	9.9
86.29163	0.8
91.05471	7.7
93.07048	9.8
95.04920	1.2
95.08606	14.3
97.06532	1.2
103.05482	1.0
105.07034	8.5
107.08573	5.9
109.06503	2.8
109.10131	2.2
111.04428	3.7
111.08087	4.3
115.05490	1.2
117.06992	3.8
119.08578	9.1
121.06522	4.3
121.10140	2.3
123.08057	3.3
123.11646	0.8
128.06194	2.5
129.06982	3.8
131.08546	5.5
133.06462	1.2
133.10139	5.2
135.08049	2.8
135.11693	0.9
139.07489	1.4
141.06998	4.5
142.07755	2.8
143.08560	7.0
145.06508	1.9
145.10126	5.7
147.08029	3.6
147.11662	2.5
153.06982	2.7
154.07738	6.3
155.08565	10.9
156.09334	1.9
157.10132	6.8
159.08102	3.7
159.11681	4.5
161.09662	4.2
161.13136	0.9
163.77452	0.9
165.06999	3.8
166.07724	1.1
167.08493	4.7
168.09241	1.3
169.10120	11.9
171.08076	1.0
171.11662	2.7
173.09579	2.7
173.13268	1.3
175.11217	1.7
177.09135	1.2
178.07788	2.2
179.08540	3.3
180.09320	3.2
181.06464	0.9
181.10107	5.1
182.07260	1.5
182.10725	0.8
183.08115	1.2
183.11699	6.0
185.09567	2.6
185.13245	2.0
187.11143	3.2
189.12718	1.8
190.07770	0.8
191.08528	1.5
192.09392	4.6
193.10146	8.5
194.10864	2.8
195.08037	1.9
195.11723	6.8
196.08626	0.8
197.09607	11.9
197.13249	3.1
199.11183	2.8
199.14754	0.9
201.12849	2.2
203.08517	2.2
204.09332	1.5
205.10097	3.5
205.11995	1.1
206.10909	3.6
207.11703	8.3
208.12344	1.1
209.09537	2.2
209.13266	4.3
211.11209	3.9
211.14775	2.2
213.12766	2.1
215.08592	2.1
215.10658	1.2
216.09367	2.2
217.10112	3.0
217.12096	1.0
218.10930	2.0
219.11681	5.9
220.12442	2.0
221.09688	1.3
221.13258	4.9
222.10373	1.3
223.11163	3.4
223.14809	3.0
225.12697	1.9
227.08508	0.9
227.10609	0.8
227.14282	1.1
228.09158	1.1
229.10143	6.4
229.12177	1.5
230.10828	3.7
231.11751	4.7
232.12390	1.6
233.09599	1.5
233.13211	4.0
235.11284	4.2
235.14825	2.0
236.11688	1.5
237.12663	3.4
237.16367	2.2
239.14246	1.8
241.10057	1.9
242.10825	2.5
243.11700	6.7
244.12451	5.4
245.09714	1.1
245.13322	5.8
246.10359	1.1
246.13910	1.6
247.11194	2.9
247.14728	2.5
248.11716	1.2
249.12708	3.5
249.16466	1.3
251.14310	1.6
254.10773	1.3
255.11693	2.2
255.13988	1.6
256.12442	3.4
257.13199	6.3
258.13956	4.3
259.11224	1.6
259.14771	6.9
259.17358	1.1
260.15594	1.9
261.12759	2.2
261.16293	0.9
263.14285	1.3
265.15906	3.3
267.11594	0.9
268.12460	1.7
269.13147	3.8
270.13998	3.3
271.11447	1.7
271.14761	4.2
272.12036	1.6
272.15463	2.4
273.12964	1.9
273.16312	3.5
274.13477	0.8
274.17130	1.3
275.14236	2.4
279.11700	0.8
281.13022	1.1
282.13803	1.5
283.14517	1.8
283.17145	2.2
284.15402	2.0
285.12701	3.9
285.16345	5.6
286.13412	2.2
286.16901	1.5
287.14188	4.9
287.17859	2.4
289.15836	1.1
291.17300	1.7
297.12973	1.2
297.16339	2.0
298.17023	1.1
299.14276	2.7
299.17905	4.6
300.15100	1.8
300.18634	2.9
301.15698	4.7
302.16574	3.3
303.17404	1.9
309.18787	1.6
311.14297	1.3
311.17776	1.2
312.15036	1.6
313.15717	3.1
313.19193	1.4
314.16522	1.2
314.20145	1.2
315.17151	1.4
325.19360	1.3
327.17294	7.6
328.17999	1.5
329.19003	2.4
331.20392	2.2
341.18930	1.6
342.19785	5.6
343.20532	1.1
363.22971	0.9
377.24548	3.2
387.23355	3.8
395.24109	0.9
399.23312	7.6
400.23651	1.5
405.24252	10.6
406.24332	1.0
413.24744	6.3
423.25400	15.5
424.25427	2.0
441.24194	100.0
442.24557	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2637
Annotation	Arieianal
Peak:m/z	Relative Intensity
53.03944	1.9
54.52772	0.4
55.05512	14.6
57.57149	0.4
62.25617	0.4
65.03932	0.6
67.05502	2.8
69.03436	1.1
69.07066	0.6
69.36870	2.8
71.04992	3.9
79.05504	2.1
81.07063	3.1
83.04984	100.0
84.05318	1.7
91.05489	3.5
93.07043	3.3
95.04975	1.5
95.08601	2.4
96.69824	0.4
97.02889	1.3
99.04457	2.5
105.03431	0.5
105.07025	5.2
107.08578	3.4
109.02882	1.4
109.06550	1.5
109.10155	1.6
111.04467	1.4
111.08074	0.5
115.05457	0.8
117.07031	2.0
117.41457	0.4
119.05005	0.6
119.08572	4.4
121.06524	1.3
121.10131	1.4
123.08029	0.7
128.06233	1.8
129.07048	3.2
129.07848	0.5
131.08591	3.4
133.06490	0.9
133.10158	2.6
135.08069	0.7
135.11684	0.6
136.20062	0.5
137.05969	2.3
137.09642	0.8
139.07529	0.6
141.06996	1.5
142.07782	2.2
143.08568	5.5
144.09335	0.5
145.06461	1.6
145.10156	3.3
147.08060	1.7
147.11694	1.3
149.09608	0.6
153.07002	0.8
154.07755	1.0
155.08575	3.0
156.09355	1.8
157.06494	2.6
157.10135	4.2
159.08055	1.2
159.11694	3.1
161.09601	2.6
165.07039	1.4
167.08582	1.8
168.09402	0.7
169.06497	0.7
169.10146	4.0
170.10965	0.9
171.08029	5.5
171.11694	4.3
172.08786	0.9
173.09550	2.4
173.13205	2.1
175.11237	0.6
175.14748	0.5
178.07880	0.8
179.08591	2.2
180.09373	1.1
181.06519	0.7
181.10114	3.5
182.07388	0.6
182.10892	0.9
183.08096	0.9
183.11659	2.7
184.08813	0.8
185.09598	2.3
185.13249	3.8
187.11189	1.2
187.14816	1.1
189.09138	0.8
190.07693	0.5
191.08646	0.6
192.09340	1.3
193.10181	2.1
194.07262	0.7
194.10841	1.3
195.08054	1.6
195.11702	2.1
196.08759	0.6
196.12421	0.7
197.09583	2.4
197.13293	1.7
199.11172	3.7
199.14828	0.7
201.09148	0.5
201.12781	1.4
203.10684	1.3
204.09268	0.5
205.10153	1.3
206.10902	1.5
207.10155	1.6
207.11757	1.4
208.08890	1.0
208.12411	0.7
209.09631	2.7
209.13280	1.8
211.11223	0.9
211.14822	1.7
213.05484	0.7
213.12787	1.5
213.16385	1.3
216.09291	0.5
217.10243	0.5
218.10944	0.8
219.11748	1.1
220.12613	0.6
221.13286	2.4
222.10466	1.1
223.11201	1.6
223.14841	1.6
225.12817	1.1
227.14252	0.6
228.09492	0.8
229.10165	0.6
229.12148	0.6
230.10858	0.7
231.11702	1.3
232.08900	0.7
233.09590	0.8
233.13275	0.9
235.11238	1.2
235.14748	1.1
236.11928	0.6
237.12798	1.3
237.16420	0.8
239.14313	1.9
241.16010	0.6
242.10654	0.7
243.11720	0.7
243.13959	0.5
245.13315	1.0
247.11220	0.9
248.11880	0.7
249.12802	1.9
250.13365	0.7
251.14355	4.9
253.05038	0.5
255.13846	0.5
257.09738	0.6
257.13058	0.7
257.15582	1.1
258.10315	0.8
259.11169	0.7
259.14719	0.5
259.17169	0.7
261.12811	0.8
263.14313	0.6
267.17551	1.3
268.03656	0.9
269.04303	1.1
270.10666	0.5
270.13889	0.7
271.11313	0.8
272.12015	1.0
273.12671	1.1
275.14313	0.8
281.13083	0.6
283.05969	1.1
284.11948	1.1
284.15369	0.7
285.09329	0.7
285.12772	1.0
287.14227	0.7
288.15082	0.7
295.20435	0.7
296.03043	0.8
297.12833	0.7
299.09097	0.7
299.14120	0.9
300.14932	0.8
301.15936	0.7
311.05545	2.1
313.15701	0.7
314.20053	0.5
315.13739	0.8
323.20148	0.7
327.17358	1.2
329.18970	0.7
337.15918	0.6
339.19849	0.5
341.20999	1.5
342.19638	0.8
343.08167	4.0
343.13031	1.0
343.20071	0.7
357.20731	1.0
361.65518	0.5
367.19067	0.6
380.17505	0.7
383.16202	1.0
385.20108	0.7
387.22934	0.6
395.24081	0.8
399.23441	0.6
405.24219	0.9
413.18655	0.6
413.24817	6.8
414.25076	0.7
423.16327	0.8
423.24127	5.9
424.25415	0.9
441.17032	4.3
441.24335	21.4
442.18393	0.8
442.24402	3.4
459.18283	0.8
459.25211	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95258	3.7
53.03951	4.1
55.05521	21.0
57.07072	5.8
60.86000	3.5
64.53173	3.6
65.03956	3.3
65.39748	3.2
66.71192	3.5
67.05495	26.2
69.07076	24.1
69.17888	26.7
69.18279	4.2
71.05003	5.0
73.50127	3.2
79.05493	26.1
81.07056	59.5
83.04987	22.5
83.08618	12.4
87.04458	8.2
91.05488	21.4
93.07045	46.0
94.45943	3.8
95.04958	9.7
95.08610	69.0
95.09204	2.4
97.06561	6.2
97.10177	6.7
105.07032	55.1
105.07688	6.5
107.08601	63.0
109.06514	5.7
109.10149	42.2
111.08062	7.6
117.07043	8.0
119.08559	47.3
121.06502	4.8
121.10162	45.6
123.08086	5.7
123.11720	16.4
125.09662	5.6
129.07010	8.5
131.08609	18.7
133.10118	37.6
135.08058	5.6
135.11691	27.0
137.09589	6.1
137.13234	7.5
141.06985	7.7
142.07780	6.4
143.08569	12.7
145.10112	34.9
147.08009	5.6
147.11697	33.9
149.13261	15.5
151.11192	4.0
155.08554	10.6
156.09366	7.2
157.10094	17.3
159.08171	5.2
159.11670	38.9
160.12129	3.6
161.09639	5.2
161.13272	19.3
163.11188	7.2
163.14824	9.5
165.09108	12.0
167.07169	4.1
169.10146	14.3
171.11667	18.4
173.09680	4.5
173.13177	19.5
175.11253	7.8
175.14827	17.9
177.16443	5.6
179.08626	5.1
181.10110	4.5
181.12198	6.6
183.11731	5.5
185.09613	3.6
185.13246	9.2
187.14868	12.2
189.16446	7.3
191.14273	8.6
193.10118	6.1
193.15941	5.2
195.11772	4.7
195.13947	5.8
197.09657	13.1
197.13252	7.2
199.11253	14.2
199.14867	8.0
201.16362	7.9
203.10739	5.7
203.14282	8.4
203.17973	10.1
205.10184	3.7
205.12195	6.6
205.15881	4.5
206.10892	4.4
207.11760	6.5
209.13315	4.5
213.16391	8.9
216.09337	3.3
217.10175	6.2
219.17447	5.7
221.13126	4.1
223.14841	3.6
225.16296	3.7
229.19453	3.7
231.13853	4.3
231.17520	5.0
235.10995	3.8
235.17009	4.6
239.14169	4.0
243.11690	5.1
244.12346	4.9
247.11087	4.6
249.12685	7.4
254.48303	3.7
255.11714	5.7
257.13232	5.7
258.13940	4.2
272.15118	3.6
273.16507	4.7
285.16306	5.5
299.18051	4.4
301.15924	6.8
327.17435	6.3
331.20435	4.8
365.28540	4.6
383.29382	10.3
399.23184	6.3
405.30945	6.1
413.24860	28.3
423.23450	8.3
423.32495	14.0
441.19058	3.7
441.24295	100.0
441.32910	23.5
442.24683	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3728
Annotation	Mollugogenol B
Peak:m/z	Relative Intensity
53.03955	1.8
55.05502	9.0
55.40001	1.2
57.07077	5.1
59.05008	7.6
65.03928	1.7
67.05502	23.3
69.03429	4.3
69.07066	24.3
69.41370	6.4
71.04979	1.4
71.59365	1.1
79.05487	10.3
81.07056	42.1
83.04978	1.7
83.08615	6.1
85.06535	2.0
87.04453	1.2
91.05482	8.3
93.07047	24.4
95.04967	3.1
95.08608	33.5
97.06526	2.4
97.10167	2.6
98.22594	1.9
105.07034	18.7
107.08595	46.6
108.08915	1.7
109.06527	10.8
109.10157	100.0
110.10501	3.8
111.08102	3.4
117.07042	1.8
117.54153	1.3
119.08576	17.2
121.10144	29.4
123.08082	3.9
123.11708	27.9
125.09612	2.7
127.11195	1.7
131.08586	5.8
133.10133	20.7
135.08121	1.4
135.11693	21.8
136.08653	1.1
137.13249	2.7
138.29643	1.2
141.09071	1.1
143.08589	2.3
143.10715	1.6
145.10103	7.7
147.11688	11.8
147.21953	1.1
149.09601	1.5
149.13260	18.1
151.11186	26.2
153.12677	1.7
157.10208	1.8
159.11665	8.2
161.13254	9.6
163.11168	1.3
163.14850	5.2
165.09171	2.2
165.12778	1.7
167.07011	2.3
171.11774	2.1
173.13243	6.6
175.14792	6.9
177.12836	1.6
177.16411	3.7
181.12213	1.4
185.13300	1.8
187.14809	6.3
189.09348	1.3
189.12738	1.2
189.16446	4.4
191.17961	5.8
193.15897	3.7
199.14885	2.7
201.16429	3.4
203.10632	2.4
203.17899	7.8
205.15939	1.9
205.19513	2.2
209.15376	1.2
213.16339	2.3
215.17960	3.6
217.15971	2.6
217.19495	7.6
221.15453	1.2
227.17888	1.4
229.19566	2.9
235.17027	1.8
237.18648	1.9
241.19489	1.8
249.18549	1.3
255.20993	1.5
257.22598	5.9
275.23679	2.5
299.23651	1.5
405.35117	2.6
423.36450	6.9
441.24222	2.5
441.31860	1.8
441.37463	27.3
442.37634	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	18.2
57.07075	15.5
59.04997	4.7
67.05499	29.5
69.03424	7.2
69.07066	71.8
79.05497	29.0
81.07061	100.0
83.04980	13.7
83.08607	20.2
87.04463	11.7
91.05482	23.2
93.07039	52.8
95.04942	5.2
95.08607	80.4
97.06544	11.8
97.10168	7.2
104.16531	4.7
105.07024	33.3
106.58734	5.9
107.08588	84.8
109.06519	6.1
109.10151	87.7
111.04426	5.5
111.08069	8.3
111.11647	6.9
117.07066	6.9
119.08576	43.6
121.10139	44.9
123.08062	6.7
123.11705	21.8
125.09595	8.0
131.08565	15.0
133.10112	36.5
135.11667	51.1
135.83173	4.9
137.09593	7.6
137.13297	7.4
138.54634	4.9
143.08551	8.5
145.10135	35.3
147.11668	20.9
149.13266	19.2
153.12790	25.1
157.10146	12.9
159.11678	30.5
161.13275	18.8
163.14764	7.3
165.12741	6.2
171.11653	8.5
173.13235	20.4
175.14864	7.9
177.12718	7.3
177.16367	7.8
183.11693	6.3
185.13307	8.3
187.14735	12.3
189.16434	12.2
199.14751	10.4
201.16370	14.8
203.17903	11.2
215.18008	14.0
217.19276	7.4
255.21143	12.7
273.22131	11.8
289.25241	14.6
299.23444	7.4
319.69101	5.4
382.00436	5.7
383.82211	6.0
388.23813	5.3
405.35065	6.2
423.36169	20.7
441.24298	36.6
441.37094	22.4
441.44986	5.3
442.24875	6.8
467.65311	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3726
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05517	5.5
57.07059	3.1
58.23930	0.8
59.04998	1.4
64.68573	0.7
67.05503	12.1
69.03437	7.5
69.07068	100.0
69.12916	6.5
70.07397	2.2
71.04986	1.0
79.05491	7.0
81.06581	1.6
81.07056	31.2
82.07388	1.0
82.98009	0.7
83.04967	4.0
83.08611	3.5
87.04456	2.1
91.05474	7.2
93.07048	16.1
95.04969	2.3
95.08607	15.1
95.99654	0.8
97.10146	1.7
104.01516	0.9
105.01676	0.8
105.06380	1.0
105.07032	11.4
107.08593	25.3
109.06500	2.3
109.10158	26.4
109.10917	1.4
110.10525	0.8
111.08087	1.5
111.11761	1.2
117.07049	0.9
119.08573	9.4
121.10146	19.0
123.08053	1.9
123.11701	34.4
124.12016	0.8
131.08543	3.4
133.10135	10.7
135.11693	17.1
136.11914	0.9
137.09590	1.1
137.13271	3.1
143.08525	1.3
145.10101	4.2
147.11699	4.9
149.13255	22.6
151.11180	51.1
152.11525	2.1
155.08553	0.9
157.10117	1.6
159.11685	5.6
161.13208	3.6
163.14835	1.9
164.46098	0.7
165.12770	1.3
169.10043	1.2
171.11707	0.9
173.13266	3.2
175.14861	2.8
177.12698	0.9
177.16379	2.4
185.13249	1.2
187.14813	3.4
189.16344	1.1
191.17995	0.9
193.15903	2.2
199.14796	1.3
201.16324	2.3
203.17882	1.7
205.15834	0.8
211.14803	1.3
215.17996	1.7
217.19368	0.8
227.17882	1.2
247.20575	0.8
255.21124	1.3
257.22641	8.5
258.23038	1.1
273.22125	2.2
275.23654	3.0
281.22513	1.3
283.24158	1.2
299.23511	1.6
405.35193	3.3
423.31155	0.7
423.36264	6.3
424.36279	1.0
441.37711	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	14.9
57.07073	5.9
66.12016	2.6
67.05497	31.1
69.03410	5.1
69.07066	100.0
69.19514	23.7
71.04996	3.6
79.05505	17.5
80.09927	2.4
81.07053	69.8
83.04973	4.4
83.08621	11.2
85.06556	4.1
87.04478	4.5
91.05479	14.2
93.07042	43.9
95.04976	6.1
95.08603	61.1
97.06540	3.7
97.10151	6.6
105.07027	31.4
106.74261	3.3
107.08595	61.1
109.06499	5.7
109.10150	87.6
110.10523	3.1
111.08096	4.0
117.07027	3.8
119.08590	32.5
121.10130	48.8
122.10532	3.1
123.08067	7.1
123.11710	61.4
125.09646	4.3
131.08572	10.2
133.10124	52.6
135.11699	50.0
137.09645	4.7
137.13263	6.1
143.08588	3.8
145.10114	14.9
147.11653	20.0
149.13263	20.6
151.11194	49.1
157.10202	6.6
159.11703	12.0
161.13237	20.4
163.14816	7.1
165.12775	6.0
167.07097	4.8
171.11722	4.4
173.13235	7.5
175.14856	10.2
177.16437	5.8
185.13290	3.3
187.14821	11.7
201.16373	7.7
203.17982	3.0
205.15872	3.0
215.14543	3.5
217.19411	3.2
231.21083	3.9
257.22653	23.1
275.23654	5.4
423.36191	10.6
441.37250	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00278	1.7
55.05513	3.7
57.07063	5.0
59.04988	2.4
59.21645	1.8
67.05511	10.6
69.03439	5.2
69.07069	100.0
69.40704	11.8
71.40443	1.6
75.68637	1.8
79.05488	5.3
81.07059	32.9
83.04971	4.9
83.08649	2.9
83.88872	1.9
86.32720	1.6
87.04472	2.6
91.05479	4.9
93.07040	13.4
94.65172	1.8
95.08602	19.0
95.87924	1.6
98.22626	3.5
98.37041	1.6
105.06351	1.9
105.07030	7.6
107.08589	27.1
109.06542	3.7
109.10163	22.6
117.06985	2.1
117.46239	1.9
119.08583	8.3
121.10144	26.3
123.08060	2.8
123.11705	33.9
133.10150	16.0
135.11690	15.3
137.13275	2.1
145.10114	2.8
147.11652	5.5
149.13252	24.3
151.11177	59.0
159.11664	3.6
163.14868	1.8
171.11699	2.4
173.13371	1.9
175.14818	4.0
177.16347	2.6
187.14766	2.0
189.16434	2.6
223.56163	1.8
255.20999	2.6
257.22705	6.7
273.80139	2.3
275.23657	3.3
405.34915	2.7
423.36185	6.7
441.24063	4.3
441.37094	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	5.9
54.09454	3.4
55.05511	33.1
57.07067	15.5
59.04999	3.3
67.05502	41.5
68.32689	3.1
69.03425	7.4
69.06702	3.1
69.07063	88.9
71.04990	6.7
71.08615	5.2
71.31082	3.5
75.72111	3.1
79.05486	23.4
81.07060	87.1
82.07417	4.1
83.04971	8.1
83.08607	24.2
85.06511	4.9
85.10168	4.1
87.04456	4.3
91.05470	17.3
93.07040	52.3
95.04975	8.1
95.08608	86.6
96.65952	3.3
97.06513	4.0
97.10163	11.7
105.07021	39.2
107.08593	65.5
108.08949	4.1
109.06529	11.6
109.10155	100.0
110.10515	3.7
111.08075	8.7
111.11713	5.2
112.26238	3.7
117.07020	7.2
117.08789	3.3
119.08584	40.4
121.10146	64.1
122.10389	4.0
123.08039	8.3
123.11703	56.3
124.12092	3.6
125.09659	4.4
129.06998	7.5
131.08557	17.2
133.10123	33.5
135.08035	5.4
135.11705	41.6
137.05986	12.3
137.13252	10.1
139.11169	4.6
142.07808	4.7
143.08531	8.1
145.10081	26.0
147.11682	31.8
149.09637	6.2
149.13268	21.8
151.07605	5.3
151.11185	31.0
156.09183	3.8
157.10135	11.5
159.11700	22.8
159.18385	3.3
161.13229	19.6
163.14812	11.6
165.09123	6.4
165.12688	3.6
167.07031	7.1
169.10149	7.3
171.11731	10.3
173.09654	10.0
173.13293	13.0
175.11140	3.7
175.14838	11.7
177.16461	10.6
181.12181	4.6
183.11746	4.6
183.13719	3.6
185.09546	6.8
185.13234	6.5
187.11156	9.4
187.14824	13.6
189.09088	4.6
189.12817	4.9
189.16409	5.6
193.16089	3.7
195.17531	4.2
197.13295	6.9
199.14835	5.1
201.16405	10.9
203.10706	6.6
203.17957	9.4
209.13307	3.4
213.16354	6.3
215.17924	4.4
217.19539	5.9
239.17963	4.0
257.22601	6.2
273.22400	3.6
297.22000	3.7
299.23627	4.9
395.32346	4.9
405.35410	5.1
413.24936	4.9
423.36362	10.8
441.24124	14.4
441.32779	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	14.4
57.07073	7.0
61.41384	3.7
67.05503	30.1
69.07071	100.0
70.19073	12.1
79.05496	13.8
81.07056	72.4
83.08623	6.0
87.04485	7.6
91.05464	15.6
93.07040	37.8
95.08603	53.9
96.31697	3.1
98.23283	4.5
105.07020	24.6
107.08594	62.8
109.06523	6.7
109.10157	89.8
109.20657	3.0
115.55676	4.9
119.08570	27.3
121.06559	3.5
121.10146	47.2
122.69051	3.1
123.08077	6.1
123.11714	66.8
131.08563	7.4
133.10135	63.3
133.11073	6.0
135.11685	69.0
137.13229	12.5
145.10104	9.0
147.11665	23.6
149.13278	20.3
151.11180	47.6
157.10222	3.7
159.11681	11.4
161.13257	13.0
163.11136	3.8
163.14851	7.0
165.12772	7.3
173.13329	8.9
175.14809	12.2
175.16504	2.6
177.16348	4.3
185.13226	3.4
187.14825	11.0
201.16391	9.2
213.16438	3.7
215.17941	4.0
215.79240	3.3
257.22668	37.1
275.23608	9.0
295.11551	4.6
302.40085	3.6
369.32922	3.4
423.36264	8.2
441.24234	4.3
441.37476	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.0
55.05509	23.1
55.43312	2.5
57.07076	12.5
60.64968	2.6
67.05508	38.8
67.05849	4.6
69.07073	41.6
70.55946	5.9
71.08656	2.8
72.04510	8.7
79.05502	34.6
81.07059	82.1
82.07442	3.4
83.04983	3.2
83.08623	22.1
87.04488	3.7
91.05503	21.3
91.76235	2.8
93.07044	81.6
95.05008	3.2
95.08607	100.0
97.06560	3.7
97.10167	12.0
97.66840	2.5
101.06013	2.7
105.07034	47.6
107.08598	97.7
108.08875	2.8
109.10161	78.8
110.10503	3.3
111.08099	3.7
111.11724	6.3
119.08578	55.4
121.06525	3.0
121.10149	99.2
121.11021	5.9
123.11726	38.3
131.08556	6.4
133.10118	41.1
135.08067	14.0
135.11702	47.9
137.13223	13.7
138.84840	2.8
145.10138	10.4
147.11693	35.9
148.12032	3.6
149.09619	5.5
149.13264	77.3
151.14854	3.4
153.09117	15.2
157.10104	3.2
159.11705	6.9
160.43805	2.9
161.09601	8.3
161.13228	29.2
163.11221	5.8
163.14830	19.8
165.09079	2.7
167.10681	8.8
173.13248	7.7
175.11230	5.9
175.14847	23.8
175.16235	4.0
177.12848	3.8
177.16383	17.4
179.10709	4.7
181.12233	22.0
189.16414	15.1
191.17955	28.2
193.12234	5.3
193.15901	4.6
195.13808	12.8
201.16493	4.7
203.17964	25.9
205.17776	2.8
205.19405	12.4
209.15372	11.1
215.17902	4.5
217.19521	33.6
221.15359	6.6
223.16890	5.9
231.21109	15.1
235.16864	14.5
237.18480	4.7
245.22762	6.6
249.18628	6.7
369.87570	3.6
385.31210	3.3
423.43860	6.0
423.53339	2.8
441.37326	83.2
441.44556	12.5
442.37582	7.3
442.45810	2.8
463.85733	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3728
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.63092	3.0
55.05515	19.4
57.07077	9.3
67.05503	44.2
69.03410	6.4
69.07072	41.2
69.09259	18.9
69.09685	11.6
71.05011	6.3
79.05495	26.8
79.30751	3.2
81.07056	100.0
83.04981	5.8
83.08627	12.6
91.05465	19.3
93.07045	63.0
94.07401	3.4
95.04935	4.4
95.08603	95.3
97.06561	7.4
97.10155	7.4
99.04449	4.5
105.07032	48.1
107.07868	4.8
107.08594	91.1
107.09286	6.7
109.06521	6.7
109.10152	91.0
110.10480	3.7
111.08100	7.5
117.06983	5.2
119.08578	49.8
120.08894	4.6
121.10134	62.7
122.10464	4.1
123.08117	5.4
123.11698	50.9
125.09640	15.8
127.56712	3.2
131.08556	15.7
133.10123	42.8
135.11696	54.5
136.12036	4.3
137.09607	7.8
137.13231	19.0
139.11189	38.9
143.08572	3.4
145.10167	14.1
147.11694	31.8
149.13234	40.8
151.11200	25.8
151.14842	7.8
159.11705	21.1
160.12050	3.7
161.13278	26.8
161.65555	3.1
163.14784	15.1
165.12779	8.0
171.11790	6.1
173.13194	15.3
175.14821	22.8
177.16411	15.0
185.13319	5.9
187.14844	14.3
189.16371	15.3
191.14348	6.1
191.17897	21.0
193.15894	20.6
199.14873	4.8
201.16403	12.4
203.17950	11.0
209.15367	3.4
211.17043	3.6
213.16318	3.7
215.17999	10.8
217.19504	16.1
229.19554	13.2
231.21068	18.4
257.22516	15.2
271.24200	15.2
272.24759	4.1
283.24121	5.5
285.25748	13.1
355.29669	3.4
423.36179	50.2
424.36426	7.2
441.24362	6.8
441.37311	36.8
442.37656	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	19.4
57.07081	10.1
58.92582	2.9
59.04994	2.8
59.34274	2.6
60.40239	2.5
65.23475	3.0
67.05504	43.6
69.03450	13.3
69.07068	68.8
71.04999	3.3
71.08658	3.0
71.31729	3.9
79.05504	18.8
80.90940	2.6
81.07060	100.0
83.04998	3.9
83.08627	20.2
87.04478	4.0
91.05491	14.5
93.07044	55.8
95.04971	3.6
95.08611	61.5
97.06548	11.7
97.10168	6.5
105.07029	27.3
107.08595	63.0
109.06532	5.2
109.10155	95.9
111.08074	7.8
111.11740	3.7
119.08566	29.3
121.10145	41.8
123.08039	3.3
123.11713	33.5
125.13330	5.4
131.08591	7.8
133.10153	20.8
135.08049	4.1
135.11702	49.3
137.09593	14.3
137.13257	9.0
139.11179	3.8
143.08539	4.1
145.10124	17.3
147.11702	25.1
149.09651	11.5
149.13229	18.9
151.11215	14.2
151.14861	4.5
153.12755	38.7
157.10184	4.9
159.11693	19.7
161.13293	13.6
163.14839	10.1
164.62311	3.0
165.12794	14.7
173.13290	9.0
175.14857	8.0
177.12732	3.4
177.16426	8.1
179.14265	4.1
185.13278	4.8
187.14838	6.4
189.16493	7.1
191.14374	5.0
193.15891	5.6
199.14934	3.9
200.94121	3.0
201.16451	9.4
203.18141	4.8
213.16417	3.5
215.17958	5.7
219.17535	4.0
229.19519	5.0
245.19057	3.5
255.21153	10.7
269.22864	3.3
271.24341	7.3
273.22195	19.5
281.22601	3.6
288.14664	2.7
289.25214	16.7
297.21878	3.7
299.23758	6.5
308.95432	2.6
423.36478	17.4
441.37915	20.6
442.37750	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27611	6.7
53.03944	13.2
55.05513	35.1
56.33705	6.3
57.07074	24.7
59.05021	7.4
61.78906	8.1
61.85844	6.8
67.05504	47.2
69.07079	58.8
71.05009	11.1
71.30199	12.8
79.05515	30.3
81.07053	100.0
83.04993	14.7
83.08624	27.0
83.23714	7.0
85.06566	35.0
87.04474	19.1
91.05475	37.7
93.07054	80.3
95.08607	89.9
99.08122	9.5
105.07025	58.7
107.08601	88.3
107.28999	7.1
109.06608	9.0
109.10152	79.0
111.08102	12.0
113.09685	29.3
116.22569	6.6
117.07023	8.2
119.08567	61.6
121.10155	73.1
123.11707	38.2
128.06282	8.5
128.71257	6.8
131.08572	42.8
133.10136	78.8
135.11662	50.9
137.13298	12.4
143.08539	19.7
145.10118	47.3
147.11708	62.5
149.13278	43.6
151.14790	10.3
155.08644	9.0
157.10147	16.3
159.11717	29.5
161.13278	30.3
163.14809	28.8
169.10120	8.7
171.11708	25.0
173.13277	21.2
175.14864	15.8
177.16432	13.4
179.08501	8.9
185.13223	14.0
187.14835	40.5
189.16447	34.9
193.10278	9.7
199.14848	9.0
201.16391	22.1
203.17909	35.9
213.16380	10.6
215.17986	19.2
221.13431	8.3
227.18011	10.3
229.19566	23.2
235.00554	7.8
241.19586	10.3
245.19072	19.9
251.41159	9.5
315.26816	12.5
361.96307	8.2
383.33096	36.2
399.22964	8.8
413.24792	13.0
423.23349	13.1
423.36365	41.6
441.24545	75.8
441.37640	64.6
442.24686	14.8
442.37827	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.373
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
52.75215	6.7
53.03934	6.7
55.05507	31.7
57.07070	9.2
59.04991	7.6
67.05505	44.8
69.07062	38.7
71.04988	20.5
71.32165	7.8
79.05500	30.2
81.07063	100.0
83.04987	10.3
83.08622	19.1
85.06562	7.5
85.25301	7.6
91.05478	22.7
93.07050	70.4
93.39469	6.6
95.04966	6.5
95.08612	97.1
97.06551	7.2
97.10169	8.3
105.07027	72.0
107.08604	87.8
109.10152	92.9
109.97192	7.5
111.11713	11.2
117.06979	9.7
119.08572	70.7
121.10149	87.6
123.08032	7.6
123.11707	51.6
125.09605	8.4
127.11213	13.0
129.06976	7.4
131.08585	21.7
133.10123	61.3
135.11702	57.1
137.13309	7.7
143.08572	18.7
143.10748	12.9
145.10136	38.6
147.11700	36.6
149.13278	26.6
150.76065	8.4
151.11185	7.9
153.12721	9.2
157.10054	15.8
159.11737	39.6
161.13274	26.8
163.14847	20.8
171.11745	18.6
173.13277	31.5
175.14830	44.1
177.16365	18.6
184.48387	6.8
185.13297	10.7
187.14828	26.8
189.16443	15.6
191.17982	8.6
199.14886	15.1
201.16388	26.6
203.17874	9.8
205.12268	11.2
213.16371	16.2
215.18054	6.3
217.19583	10.1
219.17403	6.7
225.85962	6.8
227.17931	19.1
229.19545	20.2
239.18010	7.1
241.19565	13.8
253.19391	7.8
257.22534	8.8
269.22604	11.0
283.24222	22.2
285.25824	10.5
290.78580	7.1
327.88364	6.9
337.28839	10.4
355.86917	7.7
405.34851	8.2
423.36386	60.1
424.36478	14.0
441.24719	14.5
441.37549	74.5
442.37704	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17406	2.5
53.03953	5.2
55.01857	2.7
55.05514	67.4
57.03444	21.6
57.07079	74.1
57.07859	2.9
59.86990	3.1
66.66010	3.0
67.05508	34.4
69.07070	88.4
69.10531	3.1
71.05007	4.1
71.08633	43.4
71.92443	2.8
79.05520	12.0
80.37581	2.7
81.07064	51.2
83.08623	59.8
85.06567	3.4
85.10194	20.3
87.04487	7.4
90.00487	2.9
91.05476	8.4
93.07035	24.8
95.08609	70.1
97.06541	17.3
97.10174	41.0
99.08120	3.5
105.07063	12.2
107.08586	27.6
109.10161	41.7
111.08128	8.4
111.11750	13.6
119.08561	15.8
121.06641	3.6
121.10141	27.6
122.37549	2.8
123.11724	18.9
125.09661	10.4
125.13316	5.2
128.24213	3.8
129.09160	3.2
131.08572	6.7
133.10190	11.3
135.11708	22.5
137.13298	8.8
139.11244	8.7
145.10205	8.1
147.11772	8.7
149.13203	16.4
153.12842	3.7
157.09979	2.8
159.11780	7.8
161.13307	9.3
163.14873	8.5
165.12671	3.3
167.14326	3.7
173.13356	8.9
175.14905	4.9
177.16489	9.2
181.15958	5.1
187.14882	3.8
189.16457	7.1
191.18060	8.6
199.14893	5.7
201.16434	7.2
203.18083	5.0
204.53642	2.9
205.19585	5.6
213.16446	4.5
331.33707	7.2
349.34561	22.5
405.35477	12.2
418.96518	3.3
423.37683	14.1
441.24146	11.1
441.39459	100.0
442.39813	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98914	0.9
55.01866	1.7
57.03424	3.4
57.07065	3.9
59.04992	2.0
59.77357	0.8
61.02929	1.4
67.05179	1.1
67.05505	11.2
69.03429	5.5
69.44367	5.7
70.06590	8.0
70.58068	0.9
71.04993	4.0
72.08148	1.3
73.02906	5.6
81.04545	1.5
85.02901	19.5
85.06526	7.5
95.04964	15.3
97.02887	6.9
105.07024	40.3
106.07379	1.2
109.02882	1.7
113.05999	70.9
114.05535	1.3
114.06307	1.5
116.07090	8.9
119.01924	1.1
122.06142	0.8
122.07151	3.2
122.09666	18.0
123.07909	4.8
126.68114	0.9
127.03882	2.7
131.07031	100.0
132.07390	2.4
136.06181	1.1
139.03889	1.9
143.75648	0.9
145.04921	8.0
149.02132	3.1
163.06023	3.2
178.07765	0.8
191.08557	1.4
197.02985	1.2
219.08058	2.4
227.11649	0.9
227.89355	1.0
229.06819	1.1
245.05164	1.0
245.12852	1.7
253.13474	3.4
281.10611	3.7
293.09338	1.0
293.12161	4.8
299.13840	5.8
311.07373	1.4
317.08398	9.4
335.06171	2.1
383.08124	1.5
442.19418	1.8
443.11496	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.8
63.52940	0.7
67.05505	2.1
69.03429	2.3
69.07079	1.5
69.31615	2.1
69.32034	3.3
71.04993	1.0
71.20573	0.8
79.05494	3.4
81.07056	3.0
83.04985	1.9
85.02882	1.2
91.05468	2.6
93.07061	3.5
95.04967	2.3
95.08614	2.3
97.06513	1.7
105.07043	3.9
107.04980	5.0
107.08590	3.5
109.06530	4.5
111.08088	1.6
117.07027	3.3
119.04929	1.5
119.08569	2.8
121.06515	2.0
121.10116	0.9
123.04398	0.9
123.08085	4.1
125.05974	0.9
128.06256	2.1
128.91663	0.7
129.07047	3.9
131.08583	6.5
132.08864	0.7
133.06516	1.9
133.10112	2.1
135.08041	1.7
137.05983	0.8
139.07506	1.7
141.06999	3.2
142.07790	1.3
143.08578	7.5
145.06516	2.3
145.10156	5.1
147.08051	3.0
149.06078	1.2
153.07050	1.0
154.07768	1.6
155.07233	0.9
155.08553	13.6
156.09187	1.4
157.06499	1.6
157.10144	6.5
159.08015	6.2
159.11700	2.5
161.05939	1.6
161.09612	2.6
163.11188	1.1
165.07007	1.3
167.07199	1.0
167.08591	2.6
169.06514	1.0
169.10139	9.5
170.10799	1.0
171.08083	2.8
171.11636	4.1
173.06076	0.9
173.09605	4.6
175.07483	1.8
175.11249	3.8
177.09154	0.9
178.07791	0.9
179.08568	3.2
180.09410	0.8
181.10114	2.8
183.08054	2.6
183.11688	4.6
184.12378	1.2
185.09616	2.8
185.13316	3.3
187.07565	2.2
187.11215	3.5
189.09109	3.0
189.12625	1.2
193.08595	1.3
193.10155	2.8
194.10925	1.6
195.08075	2.0
195.11737	6.0
197.09648	5.0
197.13240	1.8
199.07645	1.4
199.11226	2.2
199.14867	1.4
201.09074	2.7
201.12796	1.3
204.09442	1.0
205.10214	1.3
206.10934	1.2
207.08025	1.1
209.09662	2.1
209.13261	4.6
211.11171	4.8
211.14832	1.6
213.09079	1.6
213.12746	2.8
215.10678	2.2
217.08592	1.2
218.10994	0.9
219.09972	1.8
219.11742	2.2
221.09656	3.2
221.13295	3.6
223.11183	3.2
223.66110	0.9
227.10756	2.3
227.14308	2.9
229.12242	3.2
233.13303	2.3
235.14859	1.9
237.12755	7.1
239.10707	5.2
239.14342	2.5
241.12236	3.8
243.10222	2.3
244.21106	0.9
245.11723	0.9
247.11194	2.9
251.14409	2.2
253.15927	1.9
255.13829	4.7
257.11734	3.0
257.15442	2.5
259.13559	1.0
261.12723	1.0
265.12296	6.5
267.10239	1.8
269.15317	0.9
271.09674	1.3
271.16904	1.3
273.14914	2.7
279.13815	4.2
281.15469	2.6
283.13318	9.5
285.11322	3.1
285.14709	1.7
287.16483	1.5
297.14816	6.2
299.16406	3.7
301.14297	9.6
302.14688	1.2
307.13348	2.9
311.12823	2.4
313.10657	1.0
315.16010	4.8
317.17416	11.6
318.17587	1.1
319.15430	1.3
325.14398	9.6
327.16217	1.5
329.13895	12.2
333.17035	2.8
343.15408	19.1
344.15897	1.5
345.16962	8.2
346.17285	1.1
347.14871	37.1
348.15216	2.3
353.13889	1.9
361.16504	15.4
362.16934	1.6
363.17911	11.3
365.15982	3.4
371.14883	9.9
379.18024	1.0
389.15918	49.6
390.16278	3.4
407.17004	46.8
408.17297	3.6
425.18042	25.4
426.18518	2.5
442.20740	100.0
443.20901	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76916	1.1
58.99598	1.9
69.03438	2.7
69.07571	11.3
69.07973	2.1
72.94801	1.0
73.02947	1.4
81.07062	2.7
83.08637	2.0
83.99876	1.2
85.02914	6.1
86.99063	1.4
91.05491	6.2
93.07054	1.3
97.02889	2.2
98.23315	2.3
104.17139	1.4
105.07023	2.9
115.05527	2.1
117.07045	3.4
119.08638	2.2
124.74781	1.2
127.03909	1.8
128.06268	1.3
129.06956	8.0
129.61063	1.3
131.08572	31.0
131.09494	2.4
133.06494	2.0
134.34981	1.2
137.05986	1.7
141.12766	1.9
143.08574	5.2
145.05000	2.1
145.10150	2.2
147.08101	2.0
149.06012	4.1
156.27977	1.3
157.06529	6.0
161.05994	3.2
161.09639	4.0
163.07562	1.3
171.08096	2.5
171.11827	4.1
173.13354	2.6
175.07561	14.8
189.09111	7.5
199.11244	2.0
205.08987	1.7
217.12242	77.7
218.12709	3.0
245.11868	8.6
263.12802	11.6
424.23605	1.3
442.15210	2.5
442.24966	100.0
443.25226	4.9
463.48618	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01869	3.3
57.03435	4.2
58.12867	1.2
58.66202	1.2
61.02941	6.9
61.03196	1.4
62.85437	1.1
69.03090	2.0
69.03443	30.3
71.05001	3.3
73.02912	4.1
81.03424	9.4
83.08612	3.5
85.02906	100.0
86.09698	4.2
87.04473	1.9
91.03957	4.7
95.04942	1.5
97.02900	21.8
98.69442	1.3
99.04474	4.9
109.02892	9.2
115.03923	2.2
122.83469	1.6
123.04453	1.6
127.03921	23.0
136.81725	1.4
139.03896	2.8
145.04958	46.4
157.72586	1.3
163.06038	18.5
167.06966	1.3
251.74506	1.3
280.11749	2.3
442.17566	3.1
443.14697	6.8
443.28931	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.8
55.05498	3.8
57.03433	5.3
58.56517	1.8
61.02919	8.1
62.16702	1.7
66.45117	1.6
69.03421	32.8
69.05155	1.6
70.06570	2.9
71.04988	3.5
73.02905	3.5
81.03410	8.2
81.07071	2.2
83.08600	3.6
83.98113	1.5
85.02903	100.0
86.09693	6.4
87.54472	1.5
91.03942	4.6
91.05454	1.6
93.07056	2.8
97.02898	26.2
98.22643	3.6
99.04442	3.0
100.59352	1.5
109.02876	6.7
116.07098	1.7
117.81127	1.6
127.03063	2.3
127.03918	22.9
128.10741	1.9
134.06018	2.6
137.09634	2.2
145.04951	45.0
158.06001	3.8
159.06589	1.7
163.06017	15.2
187.11111	1.8
211.11133	2.0
245.31006	1.9
271.13281	3.1
280.11771	4.9
281.13892	2.3
301.16357	2.8
381.15149	6.7
383.13049	2.7
389.15915	5.4
407.16888	4.2
442.21017	9.6
443.14954	49.1
443.29654	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09011	1.3
53.03944	2.2
55.01871	9.6
57.03432	18.6
59.04988	3.3
60.40396	1.3
61.02645	1.6
61.02926	15.0
63.30708	1.3
69.03429	34.0
69.08515	2.5
69.08914	9.5
71.01342	5.3
73.02916	100.0
74.03242	1.0
80.20196	1.0
81.03421	5.7
85.02901	82.6
85.10172	1.8
86.03232	1.6
87.04471	5.9
91.03951	5.0
93.07011	1.4
95.08562	6.4
96.04505	1.2
97.02891	64.9
98.23360	2.1
99.04449	4.8
103.03931	3.1
109.02854	6.7
113.09616	4.5
114.05482	1.4
115.03926	34.5
116.42152	1.3
127.03899	27.9
133.04955	47.4
144.06564	4.2
145.04948	38.3
150.07594	3.2
162.07591	5.1
163.06027	12.1
180.08664	4.9
181.16328	1.4
193.04950	2.2
199.06055	2.9
223.06021	6.3
241.07010	5.9
244.17331	1.3
245.13951	1.7
259.08032	6.6
275.14758	2.6
276.10803	2.5
277.09048	1.5
294.11826	2.6
295.10077	1.7
320.29279	1.2
384.00101	1.3
442.25043	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	15.2
56.03089	2.3
57.03437	32.2
58.19452	3.3
61.02931	14.5
63.81846	3.0
69.03436	35.2
69.21655	16.4
71.01358	8.0
73.02915	36.5
81.03429	6.9
85.02909	100.0
87.04475	6.4
91.03951	6.6
93.07001	3.0
95.08595	14.0
97.02884	53.5
98.23412	4.7
99.04442	5.7
103.03948	4.9
109.02879	7.4
113.09650	9.0
115.03928	22.6
127.03909	31.0
128.04312	3.0
131.10692	2.6
133.04970	43.4
145.04965	56.0
146.05310	2.8
150.07597	5.0
163.06035	23.3
180.08792	3.2
199.06033	3.4
223.06239	3.3
229.32542	2.5
241.07077	4.8
257.13815	3.8
259.08084	3.6
263.16919	2.7
265.24930	2.4
273.61267	2.7
275.14871	10.0
443.22061	8.8
446.78241	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61449	3.1
52.39475	2.5
53.78409	2.5
55.01872	17.1
57.03437	27.9
59.05012	3.0
61.02916	12.9
61.34949	3.0
65.19698	2.6
65.39555	2.5
69.03433	36.0
70.19318	11.0
71.01344	5.3
72.04530	3.2
73.02917	39.7
78.98239	3.2
81.03413	8.1
85.02907	100.0
85.10193	3.3
87.04464	3.9
91.03938	5.9
95.08605	7.3
97.02887	54.2
99.04424	3.7
103.03933	3.6
109.02883	8.5
113.09657	8.5
115.03922	27.1
116.81297	2.9
127.03912	27.2
131.10696	3.4
133.04977	44.6
141.99248	3.7
144.06546	4.0
145.04950	51.9
150.07640	6.6
163.06020	19.9
180.08748	5.0
241.07130	4.8
259.08005	4.1
275.14932	10.9
375.39459	2.9
443.22833	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
57.03426	1.0
58.22327	0.4
58.51123	0.4
59.05001	0.4
61.02924	1.0
69.03438	2.0
70.61757	0.8
73.02920	2.7
76.00203	0.4
79.90027	0.4
80.22440	0.4
81.03398	0.5
85.02431	0.8
85.02905	8.1
87.04469	0.5
97.02892	2.2
105.07042	0.4
109.02898	0.5
109.10144	0.5
115.03962	0.8
122.63520	0.4
127.03909	1.8
133.04962	1.4
145.04988	3.4
150.07567	0.4
151.07541	0.7
163.06010	2.1
165.09163	0.6
203.05287	0.5
280.19705	0.5
442.24933	100.0
443.25473	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	7.4
57.03432	14.6
59.05002	1.0
61.02924	8.1
66.00767	1.1
69.03424	24.3
70.31885	3.7
71.01337	3.6
71.04974	2.4
71.08626	1.8
73.02917	17.9
81.03411	4.6
83.01328	1.1
85.02901	100.0
87.04459	2.9
91.03970	6.0
97.02887	35.1
99.04440	4.7
103.03943	3.0
109.02866	8.1
115.03941	10.2
127.03905	26.3
128.04247	1.3
130.16492	0.9
132.06613	2.6
133.04947	16.6
145.04947	54.9
146.05307	2.2
150.07614	2.7
163.06020	23.1
163.28809	1.2
189.91577	1.0
203.05310	2.7
205.08691	1.1
223.05969	1.5
241.07141	2.4
249.92282	1.4
267.73984	1.2
293.19931	1.8
404.36551	1.2
442.24918	51.0
443.25275	3.8
455.10944	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61330	1.5
52.65607	1.5
53.03967	2.0
53.07622	1.6
55.01862	1.6
57.03444	22.5
59.05015	3.0
61.02929	7.4
69.03427	58.5
70.34957	4.4
71.04973	1.7
73.02916	19.2
80.58203	1.6
81.03431	4.0
83.01348	2.0
85.02901	100.0
87.04461	36.2
91.03967	3.3
97.02892	52.1
98.97542	1.7
99.04460	4.7
103.03950	2.4
107.14056	1.7
109.02854	8.3
115.03923	55.0
115.45675	1.7
127.03905	16.6
131.08572	2.1
133.04961	54.8
145.04961	44.8
150.07629	5.8
151.03957	2.2
163.06010	16.4
217.12064	2.1
245.11848	2.1
263.12726	2.6
277.09189	2.3
442.15753	4.6
442.24893	24.8
443.16742	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.4
55.01870	9.3
55.05509	3.6
57.03431	10.6
59.04996	2.2
61.02929	10.3
63.63992	1.6
67.05497	4.5
69.03433	22.6
69.06834	4.1
69.07240	9.2
71.01362	2.0
71.04995	2.2
73.02912	26.4
79.05484	3.6
81.03408	5.0
81.07049	7.6
85.02905	100.0
86.03218	1.8
87.04465	4.7
91.03959	3.7
91.05509	1.8
93.07058	2.6
95.04955	2.6
95.08594	4.7
97.02899	36.2
99.04458	3.6
103.03954	3.1
105.07047	3.3
107.08595	3.2
109.02884	6.8
109.10131	3.6
113.50103	1.6
115.03918	11.5
117.89228	1.7
121.10197	2.9
127.03925	24.8
131.08540	3.0
133.04979	17.6
137.09540	2.3
145.04956	46.7
145.06183	2.9
145.06586	2.2
146.05302	2.4
146.06757	2.3
161.09610	1.8
163.06030	17.4
165.09116	18.8
166.09457	2.7
175.11214	1.7
181.04906	2.0
185.13251	2.0
189.09079	2.2
196.08774	1.7
198.73782	1.8
198.77386	1.5
199.82521	1.6
201.12741	2.4
223.05876	1.7
368.23151	2.1
435.53839	1.9
442.26953	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.9602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85659	0.9
71.30197	1.4
71.46680	0.9
84.71625	1.1
104.99277	100.0
137.64333	1.1
186.99564	20.0
268.99866	2.8
278.95422	42.6
300.76172	1.4
360.84021	1.7
360.95700	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02302	0.4
57.03440	0.5
65.03216	0.4
70.28055	0.7
76.18417	0.5
81.04552	0.6
96.04781	0.4
122.07137	2.6
123.07920	2.3
149.02080	5.1
155.13017	0.5
170.42844	0.4
182.21942	0.5
185.02876	0.5
185.04317	1.0
229.06911	0.8
275.34375	0.5
275.79379	0.5
281.10699	2.0
311.07343	2.3
317.08417	13.8
318.08691	0.8
371.48645	0.4
443.11575	100.0
444.11951	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56710	0.9
53.90104	1.1
55.05502	2.8
66.17870	0.9
67.05504	5.7
69.00223	5.0
69.00645	5.3
69.03405	1.5
69.07059	2.8
71.04960	1.4
73.06540	2.3
75.04469	4.2
79.05489	5.4
80.95739	1.2
81.07055	6.1
83.04977	7.6
85.61465	1.0
91.05457	6.5
93.07053	6.8
95.04974	3.1
95.08613	9.9
97.06523	3.8
98.23344	2.3
105.07029	7.1
107.08591	3.0
109.06493	1.5
109.10136	2.1
111.04474	1.5
111.08089	2.0
115.07576	2.3
117.07007	1.7
119.08567	6.7
121.06487	1.9
121.10161	2.6
123.07994	2.3
128.06226	2.0
129.07022	2.6
131.08557	4.6
133.06488	2.4
133.10124	4.1
135.08044	2.2
137.05965	8.1
141.06989	2.2
142.07799	2.8
143.08560	4.1
145.06473	1.3
145.10115	3.8
147.08080	2.2
147.11708	1.8
149.09665	1.7
152.06244	1.4
153.05446	1.1
153.06972	1.0
154.07791	3.0
155.08585	5.0
156.09317	1.6
157.10117	4.2
158.10591	1.1
159.08028	2.1
159.11710	2.1
160.08847	1.1
161.09607	2.3
165.05602	1.7
165.07028	7.2
166.07784	2.5
166.35928	0.9
167.07047	3.7
167.08627	3.0
169.06435	2.0
169.10121	9.7
170.10684	1.1
171.08041	2.6
171.11661	2.9
173.09593	2.4
175.11215	4.0
178.07777	2.2
179.08595	6.4
180.09322	1.3
181.06471	3.1
181.10132	4.2
182.07283	12.3
183.07973	2.8
183.11641	2.6
185.09541	1.9
186.30568	1.1
187.11131	1.9
191.08522	2.6
192.09349	3.6
193.10176	5.2
194.07323	1.2
194.10786	1.7
195.08054	6.9
195.11647	4.3
196.08734	1.7
197.09610	16.6
197.13237	1.2
199.07539	3.1
199.11197	4.6
203.08580	2.2
204.09288	1.3
205.10109	4.0
206.10889	5.3
207.08035	2.3
207.11694	6.3
207.13501	1.3
209.09610	2.5
209.13297	2.3
210.06738	18.7
211.11110	2.2
212.08368	1.8
216.09320	1.7
217.10103	2.5
218.07291	1.3
218.10844	3.5
219.08092	2.0
219.11748	6.3
220.12447	1.3
221.09612	2.8
221.13228	7.3
222.06816	3.2
222.13652	1.5
223.03944	1.9
223.07541	3.7
223.11191	1.5
223.14919	1.4
224.08458	2.0
225.05469	2.6
225.09099	43.7
226.06380	1.1
226.09503	2.6
227.07051	3.5
229.10156	1.4
230.10980	2.5
231.08040	1.3
231.11705	4.7
232.08804	1.8
232.12411	3.5
233.09686	3.4
233.13284	3.0
234.10406	2.7
235.07553	4.4
235.11143	2.9
235.14845	1.2
237.05493	2.5
237.12714	2.8
238.06209	17.5
239.06834	3.3
239.10670	1.6
240.07791	5.7
242.05780	1.2
242.09277	2.2
243.11784	2.2
244.12352	1.2
245.09599	1.1
245.13184	6.0
246.10420	1.5
246.14067	3.1
247.07527	1.2
247.11133	3.9
247.14870	3.8
248.11919	1.2
249.12701	9.2
250.09978	1.4
251.07004	5.5
252.07799	4.7
253.04919	3.0
253.08572	44.9
254.05920	2.4
254.08971	4.1
255.06593	2.5
255.10156	2.8
257.13199	1.7
259.11292	3.4
259.14816	3.7
260.12048	2.1
260.15637	1.9
261.09088	2.0
261.12769	4.5
261.16278	5.4
262.13580	2.1
263.07013	3.7
263.14355	3.8
265.05170	2.0
265.08572	2.5
265.12082	1.9
266.05710	5.4
266.09253	1.2
267.06531	3.5
267.10162	4.3
268.07376	6.7
269.08014	3.0
270.08896	3.9
270.13913	1.8
271.14633	1.5
273.12741	3.1
273.16196	1.3
274.13470	1.7
275.06787	1.2
275.14264	4.7
275.17932	4.0
276.07800	1.7
277.08652	1.5
277.15817	1.7
278.09421	2.8
279.09946	1.2
280.07312	2.8
281.08072	77.2
282.08447	6.9
283.06308	2.0
283.09653	6.3
285.07587	3.1
285.11252	3.1
285.16400	1.6
287.05484	1.2
287.14349	3.6
287.17889	1.6
288.15125	1.8
289.15860	4.9
291.09998	1.9
292.11008	1.5
293.08362	2.2
293.11737	8.7
295.09744	1.5
296.06757	4.0
297.07657	5.9
298.08209	5.9
300.06296	1.1
301.07071	2.5
301.15906	3.1
301.19351	1.9
303.17419	11.2
304.07300	1.8
304.18314	2.4
305.08051	2.0
305.19031	2.8
308.10480	2.0
309.11169	1.7
311.09116	47.7
312.09665	7.5
313.07059	3.4
313.10629	16.7
314.10983	1.3
315.08591	5.1
319.09720	5.5
320.10431	2.2
321.07608	2.8
321.11197	3.0
323.12732	2.4
325.14371	1.5
327.17706	1.5
328.09341	6.6
329.18884	4.7
336.09796	5.3
337.10706	3.2
340.13004	1.1
341.13968	1.8
343.11761	100.0
344.12119	7.8
344.21353	2.9
351.12299	18.2
352.12900	4.1
353.13834	4.1
355.15375	13.6
356.15594	1.8
360.08240	2.1
369.12961	1.6
383.14902	19.4
397.25125	1.9
399.21878	1.4
401.25226	1.8
415.26361	17.6
416.26477	1.4
425.24643	6.5
443.25797	77.2
444.26242	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56710	0.9
53.90104	1.1
55.05502	2.8
66.17870	0.9
67.05504	5.7
69.00223	5.0
69.00645	5.3
69.03405	1.5
69.07059	2.8
71.04960	1.4
73.06540	2.3
75.04469	4.2
79.05489	5.4
80.95739	1.2
81.07055	6.1
83.04977	7.6
85.61465	1.0
91.05457	6.5
93.07053	6.8
95.04974	3.1
95.08613	9.9
97.06523	3.8
98.23344	2.3
105.07029	7.1
107.08591	3.0
109.06493	1.5
109.10136	2.1
111.04474	1.5
111.08089	2.0
115.07576	2.3
117.07007	1.7
119.08567	6.7
121.06487	1.9
121.10161	2.6
123.07994	2.3
128.06226	2.0
129.07022	2.6
131.08557	4.6
133.06488	2.4
133.10124	4.1
135.08044	2.2
137.05965	8.1
141.06989	2.2
142.07799	2.8
143.08560	4.1
145.06473	1.3
145.10115	3.8
147.08080	2.2
147.11708	1.8
149.09665	1.7
152.06244	1.4
153.05446	1.1
153.06972	1.0
154.07791	3.0
155.08585	5.0
156.09317	1.6
157.10117	4.2
158.10591	1.1
159.08028	2.1
159.11710	2.1
160.08847	1.1
161.09607	2.3
165.05602	1.7
165.07028	7.2
166.07784	2.5
166.35928	0.9
167.07047	3.7
167.08627	3.0
169.06435	2.0
169.10121	9.7
170.10684	1.1
171.08041	2.6
171.11661	2.9
173.09593	2.4
175.11215	4.0
178.07777	2.2
179.08595	6.4
180.09322	1.3
181.06471	3.1
181.10132	4.2
182.07283	12.3
183.07973	2.8
183.11641	2.6
185.09541	1.9
186.30568	1.1
187.11131	1.9
191.08522	2.6
192.09349	3.6
193.10176	5.2
194.07323	1.2
194.10786	1.7
195.08054	6.9
195.11647	4.3
196.08734	1.7
197.09610	16.6
197.13237	1.2
199.07539	3.1
199.11197	4.6
203.08580	2.2
204.09288	1.3
205.10109	4.0
206.10889	5.3
207.08035	2.3
207.11694	6.3
207.13501	1.3
209.09610	2.5
209.13297	2.3
210.06738	18.7
211.11110	2.2
212.08368	1.8
216.09320	1.7
217.10103	2.5
218.07291	1.3
218.10844	3.5
219.08092	2.0
219.11748	6.3
220.12447	1.3
221.09612	2.8
221.13228	7.3
222.06816	3.2
222.13652	1.5
223.03944	1.9
223.07541	3.7
223.11191	1.5
223.14919	1.4
224.08458	2.0
225.05469	2.6
225.09099	43.7
226.06380	1.1
226.09503	2.6
227.07051	3.5
229.10156	1.4
230.10980	2.5
231.08040	1.3
231.11705	4.7
232.08804	1.8
232.12411	3.5
233.09686	3.4
233.13284	3.0
234.10406	2.7
235.07553	4.4
235.11143	2.9
235.14845	1.2
237.05493	2.5
237.12714	2.8
238.06209	17.5
239.06834	3.3
239.10670	1.6
240.07791	5.7
242.05780	1.2
242.09277	2.2
243.11784	2.2
244.12352	1.2
245.09599	1.1
245.13184	6.0
246.10420	1.5
246.14067	3.1
247.07527	1.2
247.11133	3.9
247.14870	3.8
248.11919	1.2
249.12701	9.2
250.09978	1.4
251.07004	5.5
252.07799	4.7
253.04919	3.0
253.08572	44.9
254.05920	2.4
254.08971	4.1
255.06593	2.5
255.10156	2.8
257.13199	1.7
259.11292	3.4
259.14816	3.7
260.12048	2.1
260.15637	1.9
261.09088	2.0
261.12769	4.5
261.16278	5.4
262.13580	2.1
263.07013	3.7
263.14355	3.8
265.05170	2.0
265.08572	2.5
265.12082	1.9
266.05710	5.4
266.09253	1.2
267.06531	3.5
267.10162	4.3
268.07376	6.7
269.08014	3.0
270.08896	3.9
270.13913	1.8
271.14633	1.5
273.12741	3.1
273.16196	1.3
274.13470	1.7
275.06787	1.2
275.14264	4.7
275.17932	4.0
276.07800	1.7
277.08652	1.5
277.15817	1.7
278.09421	2.8
279.09946	1.2
280.07312	2.8
281.08072	77.2
282.08447	6.9
283.06308	2.0
283.09653	6.3
285.07587	3.1
285.11252	3.1
285.16400	1.6
287.05484	1.2
287.14349	3.6
287.17889	1.6
288.15125	1.8
289.15860	4.9
291.09998	1.9
292.11008	1.5
293.08362	2.2
293.11737	8.7
295.09744	1.5
296.06757	4.0
297.07657	5.9
298.08209	5.9
300.06296	1.1
301.07071	2.5
301.15906	3.1
301.19351	1.9
303.17419	11.2
304.07300	1.8
304.18314	2.4
305.08051	2.0
305.19031	2.8
308.10480	2.0
309.11169	1.7
311.09116	47.7
312.09665	7.5
313.07059	3.4
313.10629	16.7
314.10983	1.3
315.08591	5.1
319.09720	5.5
320.10431	2.2
321.07608	2.8
321.11197	3.0
323.12732	2.4
325.14371	1.5
327.17706	1.5
328.09341	6.6
329.18884	4.7
336.09796	5.3
337.10706	3.2
340.13004	1.1
341.13968	1.8
343.11761	100.0
344.12119	7.8
344.21353	2.9
351.12299	18.2
352.12900	4.1
353.13834	4.1
355.15375	13.6
356.15594	1.8
360.08240	2.1
369.12961	1.6
383.14902	19.4
397.25125	1.9
399.21878	1.4
401.25226	1.8
415.26361	17.6
416.26477	1.4
425.24643	6.5
443.25797	77.2
444.26242	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1911
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
56.44589	2.5
69.03423	7.6
69.44981	15.0
69.45331	5.0
70.06585	3.1
81.07074	4.5
83.04999	4.6
85.02898	7.5
91.05478	4.0
93.07058	4.2
95.04964	2.8
95.08595	3.6
97.02881	4.4
97.06499	5.0
100.11254	3.0
105.07060	6.7
107.08564	6.8
109.10180	4.0
111.04408	3.6
117.07021	2.8
119.08589	9.1
121.06497	4.5
123.08070	3.2
129.06982	2.7
131.08562	5.9
133.10106	3.2
135.08057	100.0
135.09099	5.2
138.06648	3.4
139.82452	2.8
141.07014	2.8
143.08569	4.5
147.08141	3.9
156.09378	5.5
156.64774	3.0
157.10081	7.1
158.07298	3.3
159.08025	9.4
159.11736	14.4
161.09659	4.7
169.10150	3.3
171.11699	3.7
172.08858	8.6
173.09608	15.7
187.11183	46.5
189.12650	4.2
199.11192	10.0
203.10657	9.5
212.08350	5.2
215.10727	28.0
217.12222	8.2
227.10655	5.5
233.11739	40.7
233.49956	2.7
245.11705	35.6
263.12799	26.0
263.16135	5.4
264.12805	4.1
281.13632	3.8
281.17487	3.3
406.52182	3.2
443.18744	35.2
444.19324	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1911
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
63.55987	6.5
70.09389	19.1
91.05469	7.8
91.77904	6.6
93.07031	7.0
98.22668	10.0
98.43461	6.5
135.08064	100.0
143.08604	8.3
156.30896	6.5
159.11708	10.6
172.08815	7.8
173.09624	21.3
187.11195	27.3
199.11180	9.3
203.10574	10.5
215.10666	18.3
233.11739	34.8
245.11739	23.3
263.12665	20.0
352.40726	6.5
356.16843	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
54.09088	0.3
55.05495	1.3
67.05506	3.3
69.03430	0.7
69.07071	0.7
69.29274	0.4
73.91632	0.4
74.40706	0.3
78.12744	0.3
79.05494	1.7
81.07058	3.9
83.04987	3.1
91.05473	3.3
93.07044	4.0
95.04969	1.4
95.08603	5.8
97.02840	0.5
97.06519	1.0
105.03364	0.9
105.07024	3.8
107.08578	2.1
109.06510	1.1
109.10159	1.1
111.04437	1.3
111.08093	1.3
117.07017	1.3
119.08575	3.0
121.06497	0.9
121.10141	0.8
123.08081	1.1
123.79571	0.4
128.06194	0.6
129.07027	1.3
131.08583	2.9
133.06490	0.6
133.10136	1.5
135.08067	1.6
137.05978	2.4
139.07483	0.5
141.07008	1.0
142.07756	0.7
143.08551	1.8
145.06499	0.4
145.10123	1.4
147.08093	0.9
147.11684	0.6
149.09592	0.4
153.06908	0.7
154.07742	0.9
155.08589	2.6
156.09296	0.5
157.06621	0.4
157.10158	2.1
159.08046	1.0
159.11725	0.9
161.09607	1.5
165.07022	1.0
166.07787	0.7
167.07272	0.4
167.08536	2.4
168.09351	0.5
169.06494	0.6
169.08719	0.5
169.10123	7.3
170.10674	0.4
171.08154	0.7
171.11662	1.3
173.09630	1.0
175.11250	1.0
178.07773	0.8
179.08553	3.2
180.09303	1.5
181.06519	1.2
181.10114	2.3
182.07251	1.5
183.08025	0.7
183.11682	1.2
185.09615	1.6
187.11252	0.9
190.07669	0.5
191.08562	1.8
192.09319	2.3
193.10109	3.0
194.10939	2.0
195.08122	1.2
195.11671	2.3
196.11996	0.4
197.09619	7.0
197.13332	0.5
199.11212	1.5
203.08539	1.5
204.09325	1.3
205.10121	2.1
205.11980	0.4
206.10876	4.5
207.08104	0.7
207.11694	4.3
208.08864	0.9
208.12489	1.0
209.09656	0.9
209.13249	1.9
211.11182	1.0
215.08574	0.6
216.09300	0.8
217.10118	2.0
218.10887	1.7
219.08061	1.1
219.11681	4.2
220.08820	1.1
220.12448	1.1
221.09760	1.8
221.13202	4.6
222.10269	0.9
222.13745	0.6
223.11203	1.8
223.14915	0.5
225.12747	0.6
227.14409	0.4
229.10182	1.0
229.22299	0.5
230.10901	1.5
231.08113	0.9
231.11670	3.7
232.08821	1.1
232.12373	2.4
233.09607	1.5
233.13240	3.3
234.10327	2.6
235.11183	3.1
235.14906	0.6
236.11955	1.1
237.12726	3.2
241.10188	0.5
242.10803	0.4
243.11755	1.3
244.12404	1.4
245.09634	1.3
245.13248	3.6
246.10419	1.3
246.14038	2.1
247.11179	2.9
247.14848	2.3
248.11966	1.5
248.15434	0.5
249.10094	0.6
249.12726	10.1
250.13298	1.5
251.14471	1.0
255.11679	0.6
257.13193	1.2
258.10391	0.5
258.13870	0.8
259.11258	2.3
259.14627	1.8
260.11963	1.3
260.15726	2.2
261.12854	3.7
261.16238	3.0
262.13501	0.9
262.16888	0.7
263.14200	1.7
265.15948	0.4
269.13266	0.7
270.13998	0.6
271.14862	1.1
272.11777	0.4
273.12750	2.2
273.16150	0.8
274.13580	1.6
274.16806	0.6
275.14349	3.5
275.17972	2.5
276.14975	0.6
276.18069	0.4
277.15948	0.8
283.14700	0.6
285.16443	1.1
286.13461	0.6
286.17010	0.4
287.14236	2.0
287.17694	0.7
288.15164	3.0
289.15909	3.9
290.16406	1.0
291.17468	0.7
299.14294	0.6
301.15900	2.0
301.19293	0.6
302.16687	1.1
303.17444	8.1
304.18106	1.5
305.19016	1.4
311.18015	0.4
313.15900	0.6
315.17462	1.1
316.18088	0.4
329.18988	3.2
330.19635	0.4
331.20758	0.5
343.20465	0.9
344.21426	1.0
387.83524	0.4
401.24826	1.9
413.21335	0.4
415.26483	3.3
425.24713	2.6
426.24643	0.5
443.25803	100.0
444.26111	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02406	0.4
53.03946	1.1
55.01863	1.5
55.05509	4.9
57.03432	0.5
65.03929	0.8
67.05505	6.1
67.22286	0.3
69.03413	1.1
69.07058	1.3
69.42206	2.0
71.04993	0.6
71.37368	0.4
71.56635	0.4
76.76984	0.4
79.05491	3.3
81.07051	3.2
83.04977	11.5
83.08623	0.5
85.06564	0.4
91.05472	6.5
93.07040	9.1
93.50497	0.4
95.04961	2.2
95.08603	10.3
97.02924	0.4
97.06519	1.1
99.04449	0.5
103.05472	0.9
105.04545	0.5
105.07024	7.4
107.04973	0.7
107.08591	5.2
109.06512	1.0
109.10175	2.4
111.04449	6.0
111.08088	4.6
113.06016	0.7
114.02159	0.4
114.55431	0.3
115.05470	1.6
117.07021	2.7
119.04861	0.5
119.08581	8.4
121.06519	1.5
121.10125	2.4
123.08083	1.8
123.11700	0.4
125.06023	0.6
128.06221	3.2
129.07008	5.1
130.07790	0.7
131.08563	3.8
133.06496	2.0
133.10118	6.4
135.08005	1.8
135.11641	0.6
139.07584	1.7
141.06978	2.8
141.09065	0.6
142.07780	3.1
143.04854	0.5
143.08545	6.1
144.09326	1.0
145.06493	1.6
145.10114	3.4
147.08066	2.3
147.11679	2.3
149.09616	0.5
152.06224	0.5
153.07010	2.2
154.07716	1.7
155.08548	7.1
156.09338	4.4
157.06479	10.0
157.10117	4.8
158.07240	2.4
159.08029	2.3
159.11674	4.0
160.08870	1.0
161.09665	2.3
161.13281	1.3
163.11287	0.5
165.07002	3.3
166.07834	2.3
167.08533	3.8
168.09332	1.5
169.06491	2.4
169.10109	6.2
170.07249	0.5
170.10863	1.2
171.08006	3.0
171.11684	5.7
172.08806	1.1
173.09648	2.1
173.13297	0.8
175.11205	2.5
178.07814	1.4
179.08537	5.5
180.09349	2.0
181.06520	1.4
181.10104	5.2
182.07243	1.0
182.10909	1.2
183.08046	3.1
183.11696	3.0
184.08865	3.8
185.09674	1.7
185.13266	1.4
187.11198	2.3
187.14732	0.5
189.07074	0.7
189.12726	1.9
191.08595	1.8
192.09326	2.7
193.10124	4.8
193.11821	0.7
194.07280	1.0
194.10928	2.9
195.08049	5.6
195.11650	3.5
196.08734	1.3
196.12434	1.2
197.09598	5.5
197.13275	2.5
199.11174	31.9
200.11549	1.7
201.12823	0.5
202.07820	1.3
203.08492	2.1
204.09355	1.5
205.10152	3.5
205.12018	0.6
206.10887	3.3
207.08046	2.5
207.11687	5.6
207.13672	0.7
208.08780	2.1
208.12332	1.8
209.09608	4.5
209.13220	4.2
210.10382	0.7
210.13840	0.4
211.11108	1.9
211.14806	2.0
213.12772	1.8
215.08458	1.9
216.09309	1.8
217.10123	4.0
217.12082	0.5
218.10823	2.7
219.08090	1.6
219.11652	6.6
220.08835	1.2
220.12463	1.9
221.09647	3.7
221.13210	5.4
222.10350	2.1
222.14024	0.7
223.11220	3.4
223.14778	2.3
224.11966	0.5
225.12750	3.0
226.07794	0.4
227.08575	0.6
227.14221	0.9
228.09398	1.2
229.10057	2.6
230.10887	3.0
231.08148	2.7
231.11679	5.7
232.08794	2.4
232.12398	2.3
233.09628	3.5
233.13240	4.4
233.15346	0.6
234.10364	2.5
234.13907	1.3
235.11157	4.4
235.14751	1.9
236.11925	2.0
236.15469	0.6
237.12737	7.5
238.13261	1.0
239.14322	2.3
241.10133	1.3
242.10963	1.4
243.11682	4.4
243.13850	0.6
244.08864	0.9
244.12489	2.8
245.09601	6.2
245.13258	5.8
246.10423	4.8
246.13914	2.7
247.11139	5.5
247.14818	4.2
248.11908	1.9
249.12695	8.2
249.16364	0.9
250.13423	1.7
251.14282	6.0
252.14787	0.5
253.10199	0.9
253.15860	0.4
254.11089	0.5
255.11765	2.0
256.12454	1.5
257.09772	1.2
257.13187	3.0
258.10471	2.9
258.13965	2.5
259.11185	6.3
259.14841	4.2
260.11865	3.3
260.15527	1.7
261.12769	8.2
261.16385	3.7
262.13419	2.0
262.17108	0.6
263.14340	5.2
264.14920	1.0
265.15891	1.4
267.11667	1.0
268.12390	1.1
269.10275	0.5
269.13144	2.8
270.10428	0.5
270.13931	1.4
271.11230	2.8
271.14600	3.8
272.11945	3.7
272.15518	1.4
273.12723	5.8
273.16336	3.2
274.13507	2.9
274.17120	1.4
275.14316	5.2
275.17880	1.7
276.14935	0.9
276.18512	0.8
277.15903	2.9
277.19199	0.5
278.16260	0.4
281.13287	0.5
282.14047	0.8
283.11530	0.7
283.14816	2.1
284.11920	1.0
284.15317	0.9
285.12759	2.1
285.16364	2.1
286.13495	3.7
286.17178	2.1
287.14328	8.9
287.17902	2.4
288.15057	3.0
288.18350	0.8
289.15878	6.5
289.19424	1.2
290.16455	0.8
291.17410	1.8
295.14499	0.4
296.12000	0.6
296.15509	0.7
297.12778	0.7
297.16272	1.1
298.13593	0.6
298.17059	0.9
299.14310	2.2
299.17920	1.3
300.15030	1.6
300.18475	0.5
301.15884	6.6
301.19495	3.1
302.16599	4.6
302.19934	0.4
303.17413	10.4
303.20660	0.7
304.18201	2.6
305.19016	3.3
309.16275	0.5
310.13739	0.5
310.17139	0.6
311.14520	0.7
311.17990	2.3
312.15054	0.8
313.15897	1.4
313.19339	0.8
314.16626	1.1
315.17389	3.4
315.20856	0.7
316.18140	1.1
316.21716	0.9
317.18942	3.1
318.19751	0.5
323.18146	0.4
325.15955	1.2
326.20227	0.8
327.17435	1.5
327.20966	0.7
329.18961	11.6
330.19373	1.8
331.20450	4.5
332.21027	0.7
333.22159	1.7
339.17532	0.5
341.18948	0.9
343.20532	3.1
344.21329	8.0
345.22015	1.7
347.19919	0.5
353.18839	0.5
354.19824	0.7
355.20520	1.5
365.18973	1.0
367.16827	0.8
369.22171	0.7
379.24234	0.6
383.20065	1.4
385.22192	0.5
387.19336	0.5
397.25391	2.4
398.25766	0.4
399.23215	0.4
400.19949	0.7
401.20782	2.9
401.25604	0.6
407.23734	2.0
415.26303	25.6
416.26541	2.6
425.24695	15.0
426.25024	1.3
443.25793	100.0
444.26187	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01869	0.5
55.05508	2.2
57.03424	0.4
59.04964	0.3
61.75886	0.2
61.91341	0.2
65.03937	0.6
67.05504	5.7
69.03422	0.7
69.07066	1.3
69.13823	1.1
69.14247	0.7
71.04983	0.2
77.03922	0.3
79.05493	3.3
81.07059	5.2
83.04981	3.2
83.08628	0.3
85.06579	0.2
91.05477	4.6
92.05824	0.3
93.07040	6.0
95.04959	1.8
95.08604	9.7
97.06529	0.8
97.10078	0.2
98.22604	0.4
99.04435	0.4
103.05441	0.3
105.04537	0.2
105.07027	6.1
107.04978	0.2
107.08596	4.7
109.06524	0.9
109.10143	1.6
109.51707	0.2
111.04443	1.5
111.08070	1.5
113.06004	0.5
115.05463	0.6
115.47362	0.2
117.06995	1.7
119.08578	5.2
121.06515	1.4
121.10125	1.9
123.08072	1.8
123.11706	0.4
125.09580	0.3
128.06235	1.4
129.07024	2.5
130.07736	0.3
131.08563	3.4
133.06480	0.4
133.10133	2.3
135.08044	1.7
135.11670	0.6
137.05988	0.2
139.07567	0.7
141.06978	2.2
141.09094	0.3
142.07791	1.5
143.08537	3.0
144.09256	0.3
145.06485	0.7
145.10118	2.2
147.08041	1.4
147.11665	1.3
149.09618	0.3
152.06300	0.5
153.06958	2.1
154.07765	3.6
155.08553	10.2
156.09335	1.0
157.06508	0.7
157.10129	3.0
158.07306	0.3
159.08055	1.9
159.11679	1.7
160.08765	0.4
161.09662	1.5
161.13261	0.9
163.11148	0.4
165.06966	2.9
166.07748	1.5
167.08568	3.7
168.09325	1.6
169.06497	0.4
169.10127	10.7
169.84344	0.2
170.10562	0.6
171.08099	1.1
171.11710	1.4
173.09633	1.0
173.13275	0.4
175.11200	0.7
178.07751	1.6
179.03877	0.2
179.08545	4.9
180.09314	2.2
181.06512	0.9
181.10106	4.0
182.07341	0.9
182.10860	0.7
183.08144	0.9
183.11705	2.1
184.08784	0.4
184.12424	0.4
185.09705	1.1
185.13197	0.4
187.11188	0.9
189.07025	0.9
189.12726	0.8
190.07782	0.8
191.08536	2.4
192.09319	5.9
193.10127	6.6
194.07324	0.3
194.10909	2.0
195.08054	1.6
195.11678	4.1
196.08873	0.5
196.12192	0.5
197.09613	8.2
197.13322	0.8
198.10217	0.4
199.11180	0.8
202.07732	1.2
203.08554	3.1
203.10316	0.4
204.09315	3.1
205.06702	0.2
205.10115	6.3
205.12071	0.4
206.10884	6.8
207.08101	0.7
207.11678	12.1
208.08838	0.7
208.12169	1.5
209.09683	1.6
209.13199	2.4
210.10226	0.2
211.11183	2.0
211.14717	0.2
213.12793	0.5
215.08542	1.3
215.14293	0.2
216.09326	2.5
217.10106	4.9
218.07436	0.3
218.10864	4.2
219.08292	2.0
219.11656	10.5
220.08992	0.9
220.12376	3.3
221.09792	1.9
221.13248	7.0
222.10394	1.1
222.13777	1.0
223.11176	2.5
223.14754	0.7
224.11899	0.4
225.12727	0.6
227.08578	0.4
228.09393	0.5
229.10107	2.6
229.12166	0.3
230.10873	2.4
231.08072	0.8
231.11655	6.8
232.08806	0.9
232.12418	4.8
233.07266	0.3
233.09662	2.6
233.13214	7.8
234.10400	2.1
234.13910	1.6
235.11160	3.6
235.14734	1.9
236.11859	1.1
237.12718	4.5
237.16364	0.4
238.13269	0.4
239.14270	0.6
241.10158	0.8
242.10915	0.9
243.11662	2.7
244.08781	0.2
244.12479	2.5
245.09613	1.4
245.13251	7.3
246.10434	1.3
246.14024	3.9
247.11192	5.5
247.14838	5.9
248.11978	2.0
248.15433	0.8
249.12721	11.5
249.16194	0.4
250.13263	1.1
251.14256	1.3
254.10907	0.4
255.11607	1.6
256.12302	1.0
257.10330	0.2
257.13208	2.1
258.10385	0.5
258.14066	1.5
259.11224	1.9
259.14841	4.7
260.11957	1.3
260.15564	3.8
261.12784	5.4
261.16385	7.7
262.13611	1.4
262.16766	1.3
263.14307	3.9
263.17734	0.6
264.15030	0.8
265.15939	0.8
267.11530	0.4
268.12390	0.3
269.13171	1.1
270.13922	1.4
271.11484	0.4
271.14795	2.3
272.11938	0.7
272.15591	1.1
273.12775	2.5
273.16364	2.4
274.13565	1.3
274.16708	1.0
275.14325	4.2
275.17935	5.6
276.14923	0.5
276.18652	0.9
277.15900	1.3
277.19427	0.5
278.16638	0.3
282.13919	0.4
283.14786	0.8
284.15546	0.5
285.12912	0.6
285.16373	2.5
286.13498	0.6
286.17108	1.3
287.14313	2.7
287.17905	1.9
288.15085	2.7
288.18436	0.4
289.15860	4.2
289.19171	0.5
290.16385	0.5
291.17444	0.5
296.15552	0.3
297.16266	0.4
298.16977	0.3
299.14230	0.6
299.17932	0.5
300.14865	0.6
300.18649	0.3
301.15875	2.4
301.19492	1.3
302.16605	1.7
302.20251	0.8
303.17413	15.7
304.18042	3.3
305.18967	2.9
306.19562	0.4
310.17291	0.2
311.17923	0.6
313.15848	0.6
313.19418	0.4
314.16589	0.8
314.20004	0.2
315.17456	1.7
315.20828	0.3
316.18262	0.4
316.21875	0.7
317.18906	0.4
319.16855	0.3
326.16644	0.3
326.20114	0.3
327.17490	0.9
327.20996	0.4
328.18094	0.3
329.18970	3.7
330.19406	0.3
331.20544	0.6
333.22156	0.3
341.19034	0.5
343.20374	0.9
344.21371	1.8
345.21756	0.2
369.22226	0.4
383.23853	0.3
385.21750	0.3
397.25302	2.0
399.23184	0.5
401.24750	8.9
402.25027	1.2
407.23743	0.6
415.26303	17.6
416.26614	2.0
425.24753	5.6
426.25095	0.6
428.23145	0.4
443.25787	100.0
444.26123	11.8
461.26819	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84479	0.4
53.03926	0.4
55.01871	0.8
55.05501	2.1
56.66724	0.4
57.03416	0.4
65.03931	0.5
67.05504	6.1
69.03432	1.0
69.07044	1.0
71.04980	0.4
74.86065	0.4
79.05480	3.4
81.07051	5.2
83.04981	3.1
83.08614	0.4
91.05464	5.0
93.07028	7.0
95.04979	2.1
95.08035	0.8
95.08606	10.3
97.06535	0.8
105.07027	6.5
107.08593	4.8
109.06511	1.7
109.10154	1.8
111.04421	1.5
111.08069	2.1
113.05981	0.7
115.05420	1.0
117.07014	1.5
119.08569	5.5
121.06500	1.9
121.10123	2.2
123.08051	2.2
128.06218	1.8
129.07004	2.5
130.07788	0.7
131.08549	3.4
133.06534	0.6
133.10107	3.0
135.08028	2.6
135.11629	1.1
137.06039	0.5
139.07492	0.9
141.06978	1.8
141.09116	0.5
142.07745	2.1
143.08566	2.9
144.09259	0.4
145.06429	1.2
145.10091	3.1
147.08014	1.7
147.11664	0.9
149.09595	0.6
152.06155	0.8
153.06999	2.4
154.07764	3.5
155.08553	9.4
156.09285	0.7
157.06519	0.7
157.08963	0.7
157.10080	3.5
158.10658	0.5
159.08011	2.7
159.11688	1.8
161.09583	2.7
161.13304	0.8
163.11177	0.7
165.06969	3.1
166.07765	1.4
167.08508	2.2
168.09361	1.0
169.10130	10.9
170.10800	0.6
171.08015	1.0
171.11688	1.6
173.09605	1.9
175.11183	1.5
178.07765	2.1
179.08543	5.0
180.09363	2.2
180.37407	0.5
181.06548	1.2
181.10074	4.0
182.07234	1.8
182.10768	0.8
183.07993	0.7
183.11694	1.8
185.09592	1.1
187.11180	1.3
189.12698	1.0
190.07784	1.4
191.08543	2.3
192.09338	4.7
193.10115	6.2
194.07321	0.7
194.10919	2.1
195.08037	1.8
195.11679	4.9
196.08734	0.6
197.09599	8.8
197.13261	1.0
198.10138	1.0
199.11220	0.8
202.07800	1.4
203.08498	3.1
204.09309	3.6
205.10132	6.0
205.11943	0.8
206.07672	0.5
206.10892	5.4
207.08304	1.0
207.11668	11.4
208.08836	0.9
208.12415	1.4
209.09581	1.3
209.13177	2.8
211.11143	2.6
213.12790	1.1
215.08563	1.7
216.09341	2.3
217.10112	4.5
218.10884	3.6
219.08080	1.2
219.11659	9.4
220.08788	1.1
220.12309	3.4
221.09653	2.2
221.13234	6.7
222.10382	1.2
222.13824	0.7
223.11134	2.2
223.14845	1.3
224.11839	0.5
225.12721	1.1
227.89629	0.5
228.09328	0.8
229.10155	2.0
230.10886	2.5
231.08073	1.2
231.11655	6.4
232.08784	1.4
232.12411	4.7
233.09770	2.5
233.13266	6.3
234.10399	1.8
234.13982	1.1
235.11151	3.4
235.14769	1.8
236.11861	1.7
237.12721	4.5
239.14331	0.8
241.10167	0.8
242.10907	0.9
243.11597	2.3
244.12418	2.5
245.09648	1.7
245.13225	6.9
246.10359	2.1
246.13953	3.9
247.11150	6.9
247.14807	4.7
248.11986	2.1
248.15416	0.7
249.12727	11.5
249.16490	0.9
250.13390	0.9
251.14349	1.6
254.10881	0.5
255.11667	1.9
256.12311	0.7
257.13086	2.5
258.10324	0.6
258.14050	1.5
259.11447	2.4
259.14758	5.9
260.12064	2.3
260.15546	3.4
261.12756	7.6
261.16370	7.5
262.13345	1.5
262.16992	0.8
263.14313	4.9
263.17993	0.7
264.14688	0.5
265.15817	1.4
268.12427	0.5
269.13181	0.8
270.14041	1.5
271.11478	0.9
271.14819	2.3
272.11969	0.9
272.15488	1.0
273.12863	2.9
273.15958	2.2
274.13562	1.8
274.17056	1.2
275.14301	5.0
275.17929	5.1
276.15054	0.6
276.18628	0.9
277.15872	2.1
277.19238	0.6
281.15552	0.5
283.14676	1.2
285.12830	0.7
285.16360	2.8
286.13583	0.7
286.17035	0.7
287.14343	3.7
287.17899	1.8
288.15048	3.5
288.18140	0.7
289.15826	5.4
290.16644	0.8
291.17346	0.8
296.15549	0.8
299.14401	0.6
299.17850	0.9
301.15869	3.6
301.19354	1.0
302.16537	1.9
302.19943	0.8
303.17407	20.9
304.17947	3.9
305.18988	4.3
306.19492	0.6
309.16266	0.8
311.17859	0.7
313.15933	0.9
315.17624	2.1
315.20874	0.8
316.18259	0.7
316.21771	0.5
317.18915	1.2
325.15845	0.5
327.17438	1.1
329.19034	4.7
331.20670	0.9
333.22012	0.6
341.18759	0.8
343.20480	1.2
344.21399	2.6
345.18512	0.6
367.20859	0.6
369.22147	0.7
383.23801	0.9
397.25272	1.6
401.24802	6.7
402.25043	0.8
407.23679	1.0
415.26303	16.1
416.26547	1.8
425.24701	7.7
426.24973	0.7
443.25775	100.0
444.26126	11.5
461.26678	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
53.38720	0.6
55.01872	0.8
55.05516	5.0
62.78496	0.8
65.03935	0.7
65.42106	0.6
65.60013	0.6
67.05505	5.8
69.03011	0.6
69.03416	1.5
69.07071	1.2
69.89611	2.2
69.90023	1.3
75.69118	0.6
79.05483	4.4
81.07056	3.8
83.04977	11.6
91.05475	6.9
93.07055	9.8
95.04958	2.1
95.08604	10.7
105.07015	7.7
107.08607	4.2
109.06548	1.1
109.10160	1.8
111.04462	3.3
111.08064	4.2
113.06074	0.8
115.05467	1.6
117.07024	2.5
119.08575	8.5
121.06513	2.2
121.10152	1.1
123.08094	1.2
128.06219	2.9
129.07024	3.7
130.07811	0.7
131.08577	4.6
133.06487	1.3
133.10114	4.8
135.08055	2.2
135.11716	1.4
137.09520	0.7
139.07538	1.4
141.06990	2.7
142.07803	3.1
143.08569	5.1
144.09311	0.8
145.06470	1.9
145.10104	2.7
147.08035	3.2
147.11697	2.8
149.09665	1.2
153.07018	2.5
154.07796	2.8
155.08551	7.5
156.09351	3.7
157.06488	8.1
157.10098	5.4
158.07227	1.8
159.08057	2.3
159.11678	4.3
161.09610	3.8
161.13252	1.2
165.07022	3.7
166.07800	2.1
167.08569	5.1
168.09293	1.3
169.06480	1.4
169.10132	7.5
170.10925	1.1
171.08049	2.1
171.11691	4.4
172.08780	1.1
173.09622	3.9
175.11230	2.6
178.07770	1.7
179.08598	6.6
180.09358	1.7
181.06511	0.9
181.10147	4.5
182.10916	1.6
183.08017	3.2
183.11707	3.5
184.08833	2.3
185.09645	2.2
185.13281	1.2
187.11104	3.5
189.12732	1.8
190.07770	0.9
191.08591	2.8
192.09264	3.7
193.10133	5.7
194.07364	0.9
194.10852	3.6
195.08069	5.7
195.11674	3.7
196.08833	1.5
196.12315	1.0
197.09602	5.6
197.13242	3.0
199.11174	20.0
200.11620	1.0
201.12971	0.7
202.07939	1.0
203.08617	2.4
204.09309	1.5
205.10123	3.5
205.12141	1.3
206.10915	5.9
207.08105	2.4
207.11658	7.3
208.08897	2.6
208.12463	2.3
209.09650	5.0
209.13251	4.0
210.10419	1.1
210.13947	0.8
211.11232	2.4
211.14772	2.2
213.12758	2.1
215.08598	1.8
216.09390	2.3
217.10112	2.5
218.10954	2.4
219.08080	1.7
219.11667	6.9
220.12447	2.7
221.09698	3.8
221.13191	7.2
222.10330	2.4
222.13867	1.4
223.11140	2.6
223.14841	3.1
225.12784	3.5
227.14288	1.0
228.09329	1.5
229.10194	3.1
230.10876	2.6
231.08058	2.6
231.11650	5.0
232.08830	2.7
232.12418	3.1
233.09641	2.0
233.13162	4.7
234.10428	2.6
234.14056	1.2
235.11241	4.1
235.14766	2.4
236.11949	1.8
237.12766	7.4
238.13341	1.0
239.14244	3.8
241.10004	0.8
243.11659	4.5
244.08772	1.2
244.12479	2.3
245.09639	5.1
245.13219	7.1
246.10489	4.0
246.14040	3.1
247.08122	0.6
247.08905	0.6
247.11098	4.7
247.14772	4.3
248.11971	1.4
249.12709	9.0
249.15253	0.9
249.16365	0.8
250.13426	1.6
251.14345	8.4
254.11131	0.8
255.11757	2.1
256.12546	1.5
257.09521	0.9
257.13220	2.9
258.10480	2.5
258.14069	1.6
259.11151	4.6
259.14801	4.5
260.11972	3.1
260.15472	2.2
261.12732	9.5
261.16412	3.6
262.13510	1.9
263.14276	4.7
265.15823	0.9
267.11499	1.4
268.12537	1.2
269.13229	3.0
270.13998	0.7
271.11209	2.6
271.14850	3.1
272.11905	2.8
272.15536	1.4
273.12738	6.9
273.16376	3.0
274.13489	3.4
274.17093	1.3
275.14291	3.9
275.17908	2.7
277.15726	3.7
283.14871	1.6
284.15656	0.9
285.12827	1.7
285.16443	2.3
286.13556	4.1
286.16968	1.7
287.14328	5.9
287.17944	2.6
288.15054	2.6
289.15872	6.6
289.19022	1.4
290.16507	1.3
291.17316	1.7
297.16318	1.0
299.14261	2.0
300.15158	1.5
301.15854	7.7
301.19519	3.7
302.16644	3.5
303.17429	10.8
303.20682	1.5
304.18103	2.3
305.18976	2.4
311.14313	1.0
311.17834	1.8
313.15817	1.4
313.19312	0.9
314.16605	1.6
315.17505	4.0
315.20679	0.9
316.18396	1.4
316.22000	1.2
317.19028	2.3
323.17902	0.8
325.15936	0.9
326.20163	1.0
327.17557	1.2
328.18387	0.8
329.18906	11.3
330.19562	1.3
331.20511	3.8
332.21225	1.2
333.22183	1.6
341.18951	1.4
343.20703	2.3
344.21347	8.6
345.22107	1.3
367.21075	0.9
383.19946	1.3
397.25259	2.8
401.24658	2.5
407.23901	2.4
408.24075	0.8
415.26331	21.8
416.26620	2.2
425.24734	14.2
426.24704	1.2
443.25812	100.0
444.26178	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20107	0.9
53.03949	1.4
55.01877	1.8
55.05508	3.6
57.03440	0.8
67.05514	4.4
69.03428	1.5
69.07075	1.8
69.19395	6.9
69.19777	1.7
70.06913	0.8
73.59393	0.9
77.02313	0.8
79.05492	3.8
81.07061	4.5
83.04980	9.3
85.06550	1.0
90.31445	0.9
91.05486	7.6
93.07049	9.8
95.04976	2.7
95.08606	7.9
97.06519	1.3
97.92604	0.8
105.07025	8.1
106.07378	1.0
107.08595	6.5
109.06499	2.3
109.10177	2.5
111.04462	2.6
111.08080	1.6
115.05451	2.0
117.07028	2.0
119.08589	7.2
121.06514	2.8
121.10149	3.0
123.08083	2.7
125.09617	1.0
128.06203	3.1
129.07028	5.0
130.07314	0.9
131.08588	6.1
133.06528	2.6
133.10133	5.7
135.08055	2.9
135.78392	1.0
137.06013	0.7
139.07544	1.6
140.47929	0.7
141.07031	3.6
142.07776	3.6
143.08600	6.5
145.06491	1.8
145.10141	5.7
146.10515	1.7
147.08061	2.4
147.11697	1.4
149.09666	0.9
153.07033	2.0
154.07756	1.9
155.08586	7.1
156.09349	4.2
157.06520	3.7
157.10143	8.0
158.10373	2.1
159.08066	1.6
159.11717	2.7
161.09656	4.2
161.13278	0.9
165.07011	2.7
166.07480	0.9
167.08615	3.2
168.09291	2.4
169.06506	2.1
169.10181	8.7
170.10532	4.2
171.08017	2.2
171.11723	5.6
172.12079	2.8
173.09659	4.1
174.10037	1.1
175.11220	2.7
179.08591	5.5
180.09128	1.6
180.11685	0.8
181.06512	0.9
181.10216	4.2
182.07281	1.8
182.10771	1.3
183.08086	1.4
183.11674	3.9
184.08876	2.7
185.09505	2.7
187.11235	3.0
189.07024	0.9
189.09160	1.3
189.12831	1.7
191.08563	1.9
192.09337	2.7
193.10223	4.5
194.10764	2.3
195.08086	4.0
195.11722	4.3
196.08746	1.1
196.12361	1.1
197.09669	6.7
197.13342	2.4
198.10020	1.7
199.11229	13.4
200.11606	3.5
203.08612	1.7
204.09364	1.2
205.10107	3.4
205.12166	1.3
206.10948	5.6
207.11690	5.9
208.08881	1.7
208.12195	3.1
209.09552	4.1
209.13286	4.5
210.10207	1.1
211.11211	2.6
211.14886	1.3
213.12807	0.9
215.08453	1.1
216.09319	2.0
217.10133	4.3
218.10942	2.6
219.08133	1.7
219.11690	5.1
219.13608	1.1
220.12363	2.0
221.09622	2.8
221.13269	6.5
222.10365	1.9
222.13672	3.6
223.11133	2.9
223.14668	1.8
224.11682	0.9
225.12689	2.4
227.14439	1.1
228.08989	1.0
229.10121	1.7
230.10802	2.3
231.08144	1.2
231.11697	4.1
232.08893	1.6
232.12370	3.2
233.09631	2.9
233.13277	4.9
234.10301	0.9
234.13744	1.6
235.11243	4.0
235.14815	1.5
236.11887	1.6
237.12730	6.2
238.13274	1.5
239.14288	2.4
241.10173	1.0
242.10745	1.2
243.11745	2.9
244.12453	3.5
245.09627	2.2
245.13307	4.3
245.15421	0.9
246.10420	2.5
246.13988	2.4
247.11275	4.4
247.14842	3.7
248.11775	1.7
248.15303	1.0
249.12747	8.2
249.16367	2.1
250.13222	3.0
251.14349	6.2
255.11667	1.6
257.09818	0.9
257.13239	2.2
258.13995	2.5
259.11288	3.1
259.14835	4.7
260.11960	2.5
260.15442	1.9
261.12787	7.0
261.16324	4.4
262.13226	1.5
263.14249	3.5
265.15805	1.5
267.11600	1.4
269.13339	2.3
271.11191	1.7
271.14648	2.0
272.11990	2.5
272.15591	1.4
273.12814	3.0
273.16385	3.4
274.13330	2.8
274.16772	1.4
275.14279	4.2
275.17911	2.5
277.15866	2.7
279.17511	1.0
283.14673	2.0
285.12766	1.8
285.16119	1.9
286.13452	2.7
286.16772	1.7
287.14288	6.0
287.17725	2.3
288.15143	1.7
288.18323	1.1
289.15891	5.4
290.16556	1.2
291.17294	1.4
296.15500	1.3
297.15955	1.0
299.17715	0.9
300.15091	1.2
301.15854	5.2
301.19470	2.4
302.16690	3.3
303.17380	7.8
303.20721	1.1
304.18140	2.9
305.18982	2.3
311.17862	1.9
313.15808	1.7
314.16339	1.6
315.17325	2.9
315.20877	1.4
316.17996	1.6
316.21918	1.3
317.18799	1.8
329.18945	6.7
330.19543	2.0
331.20621	2.3
333.22134	1.9
343.20654	2.1
344.21237	5.2
345.21588	2.2
347.20126	1.4
355.20413	1.4
397.25150	2.6
401.25040	1.8
407.23535	2.8
415.25955	27.0
416.26468	1.7
425.24512	16.3
426.25156	1.8
443.25677	100.0
444.26297	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
55.01888	1.8
55.05513	73.0
63.52035	1.3
65.03929	1.8
67.05502	7.0
69.07083	2.8
69.09681	11.5
69.10094	3.2
79.05494	7.8
81.07071	5.6
83.04984	100.0
84.05307	4.2
91.05480	9.4
92.05729	1.5
93.07050	11.9
95.04991	2.2
95.08613	12.3
97.06616	1.6
105.07047	11.4
105.84297	1.3
107.04950	1.8
107.08626	8.6
109.06548	1.9
109.10183	5.4
111.04449	1.5
111.08116	2.0
117.07040	3.5
119.08569	11.6
121.06530	5.2
121.10145	5.5
123.08073	4.5
129.07108	2.3
131.08607	7.0
133.10167	5.9
135.08093	8.5
135.11703	2.3
137.06047	2.1
137.09650	1.7
139.07579	3.4
143.08583	5.6
145.10144	12.1
146.10452	1.5
147.07988	2.4
147.11719	4.1
149.09669	2.3
152.04654	2.6
155.08588	4.5
156.09375	2.0
157.10185	5.9
159.08081	2.5
159.11674	8.1
161.09648	2.4
163.11182	2.4
167.07085	2.5
169.10083	7.8
170.10577	2.4
171.08134	1.9
171.11760	3.2
173.09535	3.3
173.13327	1.7
177.09129	2.5
179.08571	2.6
181.10100	2.8
182.10677	1.4
183.11717	3.1
185.09683	1.8
185.13196	1.8
187.11205	4.1
189.12701	2.4
192.09482	2.1
193.10181	3.6
195.06516	29.1
195.08127	2.7
197.09608	3.3
199.11156	3.1
201.12802	2.0
205.12280	3.6
207.11697	5.5
209.09656	1.8
209.13310	2.1
211.14760	1.9
213.12817	2.5
217.10057	1.7
218.11057	1.8
219.11839	3.3
221.13322	4.7
222.10574	1.8
227.14177	1.9
231.11711	2.9
232.12331	2.4
233.09454	1.9
233.13232	2.6
246.14075	1.9
247.11273	1.7
249.12770	3.6
251.14278	1.8
260.15442	1.7
261.12656	3.0
261.16370	2.9
265.16101	2.0
275.14496	3.4
285.18549	2.9
287.14301	2.9
289.15820	3.9
303.17526	4.0
311.09174	3.4
343.12115	2.3
347.19666	1.6
379.26468	2.2
389.24838	4.2
407.25720	7.7
415.26328	10.3
425.26285	6.6
426.27036	1.9
443.25854	32.1
444.26129	3.9
461.26471	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88781	0.4
57.05824	0.5
60.04527	0.9
60.05651	6.9
67.05518	0.5
69.03432	0.5
69.07077	7.2
70.06596	20.1
72.08157	1.2
85.02934	0.7
86.09710	100.0
87.10017	1.8
96.47559	0.3
97.07670	0.4
112.08733	4.0
113.07161	0.7
114.10303	0.5
115.08711	3.2
116.07098	8.4
123.04412	0.4
128.10724	18.6
130.09784	2.8
133.09723	0.8
137.80721	0.3
139.03891	1.3
155.11856	0.5
156.10179	1.4
156.11322	8.3
158.09258	8.0
158.10483	0.5
168.74527	0.4
175.11919	18.8
176.12341	0.4
179.64743	0.4
183.14989	0.5
199.18130	0.5
201.54002	0.4
228.17276	0.6
253.16705	0.5
269.18637	0.8
271.17657	10.5
272.18011	0.4
275.23758	0.7
281.13556	0.6
288.20343	0.9
381.15640	0.4
425.28699	0.9
443.19473	2.8
443.29776	81.9
444.30029	7.5
455.36731	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3518
Annotation	5alpha,8alpha-epidioxysterol
Peak:m/z	Relative Intensity
52.87881	0.3
53.03938	0.4
55.05514	4.8
56.27897	0.3
57.07081	1.8
65.03944	0.5
67.05505	7.0
69.03441	0.6
69.07073	6.4
69.14395	1.8
69.14799	0.6
71.05001	2.5
71.08646	0.5
73.89352	0.3
79.05503	2.2
81.07061	13.8
82.07382	0.5
83.04990	2.6
83.08614	3.3
85.06529	0.4
91.05479	2.9
93.07048	3.4
95.04993	0.3
95.08612	12.3
97.06548	0.5
97.10183	1.9
98.22646	0.6
98.23296	0.7
99.08106	1.5
101.41753	0.3
105.07053	2.7
106.07358	0.3
107.08598	4.3
109.06506	0.8
109.10164	10.4
109.10915	0.6
111.04469	0.5
111.08094	0.4
111.11713	1.0
117.07029	0.6
119.08578	4.7
121.06486	0.6
121.10155	3.3
122.07285	1.3
123.08089	0.8
123.11710	5.2
124.12066	0.4
125.06023	0.6
125.13256	0.4
127.11176	1.1
128.06204	0.4
129.07011	0.4
131.08594	1.6
133.10112	1.9
135.08066	2.2
135.11720	2.9
136.08812	0.4
137.06036	0.5
137.09621	10.1
137.13239	2.3
139.07506	0.4
141.12794	0.3
143.08600	0.4
144.09381	0.5
145.10150	1.8
147.08038	0.4
147.11714	1.2
149.09622	13.3
149.13237	2.2
151.07521	1.5
151.14822	0.6
151.89284	0.3
155.08543	0.8
157.06415	0.4
157.10130	1.0
159.08037	0.6
159.11713	1.7
160.08832	0.4
161.09619	0.9
161.13226	1.2
162.06755	0.9
163.11188	5.8
163.14815	0.7
165.09120	100.0
166.09465	3.5
167.07083	1.5
169.10127	1.0
171.08047	0.5
172.08864	0.5
173.09618	1.1
173.13269	0.8
175.07553	1.4
175.11179	1.9
175.14780	0.5
176.08308	1.0
177.09125	7.1
177.12720	1.3
177.16351	0.6
179.10681	1.0
187.11163	1.6
189.09116	1.5
189.12784	0.9
190.09932	1.7
191.10667	6.9
192.09380	0.3
192.11084	0.4
193.10042	0.4
195.03575	0.3
195.11629	0.5
199.11285	1.7
201.12766	1.2
203.10652	1.1
203.14432	0.5
203.17889	0.5
204.11433	0.4
205.12247	18.1
206.12611	0.8
207.11678	0.6
215.14253	0.8
217.12292	0.4
219.11810	0.7
219.13794	1.3
229.15865	0.4
231.11586	0.4
245.13326	0.6
247.14915	0.5
249.12901	0.6
249.25775	0.3
261.16232	0.3
267.26797	0.5
275.14429	0.3
289.15878	0.5
291.26819	0.9
303.17444	1.2
329.19012	0.7
344.20993	0.5
401.24878	0.4
415.26266	0.8
415.31387	3.6
425.24628	0.8
425.33658	1.7
443.25934	7.4
443.35031	11.7
444.26068	1.3
444.35367	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81544	1.3
53.03940	5.4
53.52266	1.4
54.54444	1.6
55.01866	7.4
55.05513	42.6
57.07075	32.6
59.56505	1.5
65.03937	2.5
66.78277	1.4
67.05505	37.2
68.92822	1.8
69.03426	4.7
69.07069	84.9
70.07402	1.8
71.04990	3.0
71.08633	17.9
79.05489	24.0
81.07059	100.0
82.07394	2.0
83.04978	10.5
83.08618	53.7
85.06532	2.4
85.10179	8.2
91.05471	14.4
93.07047	32.4
95.04971	4.5
95.08606	86.1
96.08952	2.9
97.06524	6.5
97.10178	28.1
98.23372	5.8
99.04445	3.5
105.07028	28.7
106.07339	2.0
107.08590	31.0
109.06525	20.1
109.10158	56.1
111.07419	1.7
111.08097	7.2
111.11720	19.0
117.07009	2.5
119.08577	19.8
121.06530	6.6
121.10138	21.2
123.08078	11.9
123.11713	31.3
124.05230	1.7
125.06001	14.4
125.09631	4.4
125.13266	6.6
129.06996	2.2
131.08562	7.0
133.06505	10.8
133.10141	19.6
135.08035	9.8
135.11685	14.9
137.05981	43.8
137.09599	9.5
137.13217	12.3
138.06226	1.5
139.07538	51.7
140.07887	2.3
145.10114	7.7
147.08012	3.0
147.11710	12.1
149.06010	2.4
149.09630	7.7
149.13235	9.9
151.07541	20.9
151.11162	2.2
151.14830	4.5
153.09128	3.0
157.10126	6.7
159.08038	2.7
159.11681	9.1
161.05968	7.3
161.09636	5.4
161.13243	10.9
163.07556	2.9
163.11134	2.5
163.13480	1.6
163.14807	4.0
165.05481	10.0
165.09106	44.9
165.16441	2.7
166.09346	1.9
167.07062	14.1
171.11700	5.9
173.09653	5.7
173.13297	4.5
175.11208	7.2
175.14830	5.2
177.09125	7.7
177.12761	2.0
177.16406	2.0
179.07043	46.6
179.10699	5.7
181.08536	4.3
183.11717	2.7
185.13271	2.9
185.38863	2.1
186.10242	1.9
187.11208	4.8
187.14856	2.8
189.09081	2.7
189.12744	5.1
189.16400	3.6
191.10669	4.8
191.17978	3.2
193.08609	9.8
193.10271	1.8
193.12337	2.9
197.13152	1.8
199.11226	3.4
201.12753	4.2
202.09901	2.3
203.10640	8.8
203.14288	3.3
205.08530	1.9
205.12250	5.2
205.19644	2.5
207.10135	3.2
207.21278	1.9
211.14780	3.1
217.12201	6.0
217.19543	2.8
221.11731	10.1
221.15335	1.9
225.12901	1.8
229.12241	6.0
231.13858	4.8
231.21040	2.2
233.15314	2.2
235.13194	3.2
239.14330	2.1
243.13942	1.7
245.15411	2.3
247.13229	3.1
263.27368	6.0
287.27310	11.5
289.25256	2.7
299.19882	2.1
305.28378	10.8
397.34601	6.3
398.34811	2.0
407.33154	2.4
415.26044	1.9
415.35651	9.2
425.34073	11.8
443.25751	7.2
443.35187	63.0
444.35318	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.1
57.07077	26.4
67.05507	5.3
69.07079	8.3
69.43485	4.4
71.08649	1.7
79.05483	2.8
81.07060	12.8
83.04974	1.0
83.08636	4.4
85.06547	17.4
91.05468	3.7
93.07028	4.5
95.08622	10.2
97.10168	2.9
99.08141	1.0
105.07036	5.1
107.04954	1.4
107.08581	3.8
109.10146	10.5
117.07012	1.4
119.08563	7.7
121.10136	2.8
123.08061	1.0
123.11695	3.9
125.05952	0.9
131.08586	1.9
133.10126	3.0
135.08049	2.3
135.11681	2.2
137.09608	11.3
137.13225	1.5
143.08545	1.8
145.10138	2.3
147.11711	1.8
149.09604	13.5
149.13246	1.2
151.07481	1.8
157.10165	1.2
159.11681	2.6
161.09668	1.8
163.07481	1.2
163.11209	5.7
165.09116	100.0
166.09479	3.7
171.11696	1.2
173.09573	1.5
173.13271	1.5
175.07596	1.6
175.11107	2.5
175.14827	1.2
176.08308	1.0
177.09123	8.6
177.12755	1.9
179.10596	1.3
183.11720	1.4
187.11171	2.4
189.09135	3.5
189.12685	1.1
190.09906	3.2
191.10663	8.3
201.12750	1.3
203.10780	1.2
203.14391	1.2
205.12242	19.6
205.49983	1.0
215.14137	0.9
218.72525	0.8
219.13835	1.4
247.13254	1.4
296.68530	0.8
301.28778	0.9
359.29648	1.0
415.31906	3.6
425.34183	4.2
443.25534	2.6
443.35202	15.0
444.35379	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
53.03952	0.3
55.01881	0.4
55.05507	2.4
57.07074	1.1
66.81445	0.2
66.92825	0.2
67.05508	5.6
69.03429	0.7
69.07077	2.4
71.30040	0.3
71.30459	0.4
79.05487	1.5
81.07063	5.8
83.04977	1.3
83.08619	1.0
85.06547	3.7
91.05473	1.7
92.84737	0.3
93.07037	2.2
95.04975	0.5
95.08614	4.2
97.06515	0.2
97.10165	0.7
99.08105	0.6
105.04516	0.3
105.06444	0.2
105.07053	1.8
107.04948	0.4
107.08584	1.7
109.06522	0.7
109.10161	6.2
111.04473	0.4
111.08099	0.3
117.06944	0.3
119.08572	3.3
121.06526	0.4
121.10160	1.3
122.07277	1.8
123.08082	0.6
123.11723	1.5
125.05977	0.4
125.09658	0.5
129.07007	0.6
131.08595	0.6
133.10156	0.8
135.08055	1.0
135.11690	0.7
137.06017	0.4
137.09619	10.1
137.13229	0.5
138.10017	0.3
143.08586	0.5
143.43185	0.2
145.10094	1.0
147.08083	0.3
147.11690	0.4
149.09616	2.8
149.13272	1.0
151.07549	0.9
151.11168	0.3
153.05455	0.2
153.09116	0.5
155.08528	0.5
157.10095	0.6
159.08105	0.5
159.11710	0.7
161.09628	0.4
161.13408	0.2
162.06750	0.2
163.07545	0.4
163.11189	0.5
163.14838	0.4
165.09117	100.0
166.09450	3.6
166.99849	0.3
167.07092	1.4
167.08308	0.3
169.10129	0.4
171.11748	0.5
172.08833	0.3
173.09645	0.8
173.13278	0.4
175.07547	0.4
175.11183	0.6
177.09148	2.2
177.12823	0.4
179.10684	0.6
181.10094	0.3
185.09715	0.4
185.13303	0.3
187.11192	0.8
189.09108	1.1
189.12779	0.6
190.09857	0.7
191.10637	1.5
192.09399	0.3
197.09581	0.3
199.11227	0.4
203.10638	1.9
205.12250	3.9
209.13240	0.3
213.12770	0.4
215.10606	0.3
217.12343	0.3
223.14842	0.4
231.13762	0.5
251.14447	0.3
259.14725	0.4
261.16339	0.3
277.15860	1.2
279.26862	2.6
291.26776	0.6
415.26202	0.4
425.25098	0.4
425.34210	0.6
443.26324	2.3
443.35358	4.3
444.26376	0.4
444.35727	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.8
55.05507	21.0
57.07056	5.8
62.13530	2.1
62.86317	2.4
65.03936	2.4
67.05502	31.1
68.98985	8.7
68.99400	14.6
69.07073	43.7
69.82126	1.9
71.04985	3.8
71.08596	2.7
73.20651	2.2
79.05498	18.1
81.07059	70.5
82.07394	2.8
82.64645	2.0
83.04990	12.3
83.08617	13.8
85.06532	3.9
88.80102	2.1
89.89391	2.3
91.05488	16.3
93.07040	33.7
95.04980	3.7
95.08607	77.7
96.40667	2.4
97.06525	5.3
97.10164	8.2
98.22968	13.0
99.08091	9.9
105.07018	27.1
106.07368	2.1
107.08592	47.7
109.06539	6.2
109.10149	51.0
109.66365	2.1
111.04482	3.6
111.08051	3.9
111.11713	6.0
117.06992	2.9
119.08578	29.7
121.10143	33.7
122.91364	2.2
123.08051	5.0
123.11704	24.1
125.09604	6.6
127.07514	3.9
127.11181	7.8
129.06924	2.7
129.09084	3.7
131.08559	9.8
133.10150	21.5
135.11685	28.4
137.05974	3.3
137.09656	2.9
137.13274	13.3
139.11166	2.6
142.07747	4.2
143.08575	5.9
143.10725	3.9
145.10103	11.7
147.11684	18.2
149.09642	2.8
149.13251	21.2
151.07561	3.0
154.07704	2.7
155.08562	7.0
156.09413	2.5
157.06479	3.0
157.10112	7.2
159.11693	11.9
161.09608	3.1
161.13242	9.7
163.14818	11.0
165.06927	3.3
165.09102	10.9
167.07004	3.6
169.10132	8.1
169.12210	2.3
171.11703	4.0
173.13303	5.6
175.14786	10.8
177.09062	2.5
177.16388	8.5
178.07800	2.7
179.08542	5.0
181.10103	2.6
185.13226	3.1
187.14896	3.9
189.16296	5.0
191.17944	6.0
192.09346	5.6
193.10098	7.8
194.10802	2.9
195.11687	4.7
197.09579	8.4
199.11201	7.7
201.16412	4.1
203.10806	2.9
203.17949	7.1
205.10074	5.1
206.10880	5.0
207.11824	10.9
209.09584	2.5
209.13280	2.3
213.16441	3.9
215.17973	4.4
217.10141	3.7
217.19481	4.7
218.10852	2.5
219.11687	8.8
220.12408	2.5
221.13214	6.4
229.10147	3.3
229.19600	3.5
231.11707	6.3
231.21024	7.1
232.12375	4.0
233.13225	6.7
234.13731	4.1
235.11192	4.4
235.14799	2.5
237.12624	3.6
245.13159	6.3
246.14055	4.7
247.11188	4.9
247.14862	6.1
249.12730	10.0
259.11255	2.7
259.14743	7.7
260.15555	3.3
261.12796	7.5
261.16324	7.8
263.14474	4.7
271.14722	3.5
271.24332	2.5
273.12848	2.9
273.16275	4.8
274.13403	3.0
275.14276	6.1
275.18011	4.1
285.16425	2.7
285.25739	4.0
287.27365	6.1
289.15799	4.6
297.25677	2.7
301.15787	2.8
303.17410	12.8
304.18176	3.5
305.18860	4.3
329.19083	4.4
341.19296	3.1
344.21255	4.0
401.24619	6.5
407.36621	2.9
415.26266	13.4
422.29446	2.6
425.24689	4.5
425.37872	18.9
443.25684	100.0
443.34897	45.9
444.26050	12.7
444.34668	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.1
55.05511	21.0
57.07079	10.6
59.05008	3.0
65.03941	2.9
67.05505	28.1
69.07070	37.5
71.05004	5.7
79.05510	17.7
81.07060	57.5
82.97942	2.7
83.04981	11.6
83.08620	14.2
85.06529	3.3
91.05488	19.7
93.07047	39.7
95.04987	7.1
95.08609	63.9
96.08942	4.2
97.06516	5.3
97.10201	9.8
105.07040	31.2
107.08594	47.4
109.06535	3.7
109.10167	49.4
111.04421	3.2
111.08109	4.2
111.11725	5.3
117.07053	5.0
119.08591	28.7
121.10159	33.3
123.08083	4.2
123.11689	22.3
125.09587	4.3
127.11227	5.9
129.06999	3.8
131.08557	12.4
133.10132	28.8
135.08032	4.4
135.11694	25.8
137.05966	3.5
137.09650	4.7
137.13301	7.3
139.07555	2.7
142.07817	4.0
143.08582	7.8
145.10126	16.4
147.08089	4.6
147.11684	24.2
148.16762	2.5
149.06018	4.3
149.09735	2.9
149.13254	20.5
151.07620	4.0
153.05461	2.7
153.12830	4.0
155.08618	8.4
157.06610	2.6
157.10159	5.8
159.08098	2.8
159.11708	17.1
161.09660	3.2
161.13245	17.3
163.07562	4.4
163.14876	9.1
165.06969	3.3
165.09096	18.9
167.07047	32.0
167.08388	3.5
169.10213	9.7
171.11707	5.7
173.09630	3.1
173.13293	11.9
173.14645	2.5
175.11218	3.0
175.14899	10.8
177.16422	5.6
179.08630	4.3
181.10083	5.1
185.13275	3.3
187.11157	2.7
187.14914	3.5
189.12894	2.7
189.16434	9.3
191.18053	7.6
192.09348	4.5
192.25558	2.9
193.10266	7.0
195.11742	5.1
197.09642	6.9
199.11211	4.6
199.77435	2.7
201.16547	5.3
203.08615	2.7
203.17905	12.1
204.09210	2.4
205.08548	5.0
205.10349	3.3
205.12267	2.7
205.19556	3.8
206.10962	6.1
207.11736	10.3
209.13348	4.2
215.18048	7.7
217.19493	18.4
219.11725	6.9
219.21158	2.4
221.13379	7.0
223.11229	4.1
229.19638	3.8
231.21219	5.2
232.12511	2.8
233.13370	3.4
245.13383	5.0
246.14133	6.1
247.11234	5.8
247.14861	6.4
249.12883	10.4
253.15675	2.9
257.13226	2.6
259.14853	5.0
260.15726	3.4
261.12836	4.6
261.16489	6.5
263.14413	5.5
271.14551	2.5
273.12924	2.6
275.14203	6.2
275.17783	2.5
287.14310	4.0
288.15283	3.3
289.15897	6.9
303.17548	10.9
329.18994	4.6
344.21625	5.2
401.25049	9.6
407.36945	3.5
415.26419	12.3
425.25070	4.9
425.37863	30.3
426.38013	2.9
443.25922	100.0
443.34088	18.5
443.39307	10.6
444.26242	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09384	2.2
53.03948	3.3
54.75150	2.8
55.05510	24.0
56.46991	2.3
57.07074	28.7
60.70179	2.3
63.22173	2.2
67.05507	26.8
69.03402	2.2
69.06731	3.6
69.07067	47.6
71.04987	5.3
71.08625	9.8
71.29976	3.1
79.05482	14.3
81.07051	63.8
83.04973	5.1
83.08620	29.6
85.06538	10.2
91.05466	10.8
93.07027	23.4
95.04962	3.8
95.08606	67.7
97.06547	3.3
97.10170	18.0
99.04435	2.8
105.06999	16.1
107.08594	31.8
109.06498	7.5
109.10152	43.2
111.08063	3.3
111.11710	10.3
119.08581	19.1
121.06506	7.4
121.10123	21.5
123.08086	5.1
123.11703	23.9
125.13271	2.8
129.63086	2.5
131.08586	4.2
133.10112	13.7
135.04095	2.6
135.08057	6.5
135.11684	15.4
136.08781	4.4
137.05954	3.4
137.09560	10.4
137.13245	10.3
139.07533	25.7
145.10167	5.9
147.11665	11.4
149.09592	10.0
149.13232	9.8
151.07516	3.7
151.14795	4.7
153.12747	6.5
157.10095	3.3
159.11749	6.8
161.09534	2.8
161.13225	9.3
162.43774	2.2
163.11186	4.9
163.14795	3.4
164.08299	12.9
165.05536	2.7
165.09111	100.0
166.09404	3.1
167.07057	3.6
173.13315	5.0
175.14825	4.7
177.09116	8.5
177.16367	5.8
179.10593	3.7
185.13243	3.5
187.11150	3.2
189.16428	3.1
191.10753	5.8
191.17760	3.2
193.08591	5.8
199.11122	2.7
201.12737	3.1
201.16347	2.4
203.10661	3.4
203.17932	4.6
205.12221	14.2
217.19662	3.7
221.11798	4.6
263.27478	3.1
275.23450	2.2
287.27280	5.7
305.28015	4.4
369.59833	2.5
397.34921	2.5
425.33530	4.7
443.25757	4.5
443.34628	13.2
444.35907	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	19.2
57.07074	14.1
61.09921	5.1
67.05511	39.2
69.03419	7.9
69.07079	64.8
69.65389	20.5
79.05492	19.2
81.07055	100.0
83.04977	6.9
83.08626	19.2
87.04478	7.7
91.05476	28.4
93.07056	55.9
95.08622	79.1
97.06509	9.9
97.10128	7.5
98.23325	9.1
105.07047	34.1
107.08595	64.3
107.85580	6.4
108.08907	7.4
109.10162	85.7
110.10519	6.9
119.08602	36.0
121.10149	54.4
123.08116	6.7
123.11707	30.3
124.12028	5.6
131.08623	11.9
133.10162	38.1
135.11690	56.6
137.13226	13.4
143.08540	5.6
145.10127	19.2
147.11711	22.3
149.13286	34.0
153.12717	32.2
157.10117	8.4
159.11682	17.8
161.13286	24.4
167.07094	10.9
169.10141	8.4
173.13239	7.7
175.14867	14.1
187.14821	12.3
201.16365	10.5
203.17773	6.1
232.50182	6.8
257.22638	29.7
283.24197	5.8
332.86816	6.0
407.36713	7.7
425.37735	12.0
443.25821	25.5
443.33392	59.3
444.33713	8.9
459.01578	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.3
55.05511	9.2
57.03426	7.2
59.05001	32.2
59.05298	1.9
61.02927	2.8
69.03426	7.2
69.20238	6.1
70.06587	0.8
71.01371	1.2
73.02934	7.0
73.04745	3.2
73.06545	6.4
74.89246	0.9
81.03430	1.1
83.04967	1.2
83.56683	0.9
85.02900	14.0
91.05791	2.9
97.02882	7.9
98.23356	1.9
101.06019	70.3
101.12128	1.0
109.02870	1.1
115.03925	3.7
115.07565	100.0
116.07850	2.3
127.03925	2.5
133.04970	5.8
133.08601	93.1
134.08926	2.8
136.07619	1.3
145.04971	2.9
158.68414	0.8
163.06071	1.4
167.05594	1.8
186.88463	0.9
359.02789	2.9
440.00656	1.0
444.15344	5.1
451.30286	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78443	3.2
62.06091	5.2
65.58033	2.9
69.03425	9.1
69.23924	22.3
71.04976	2.7
71.75340	2.7
73.04755	6.6
79.05482	4.1
81.07047	3.1
83.04983	2.9
85.02901	20.0
91.05451	7.8
93.07040	8.8
95.04969	3.2
96.05399	2.9
97.02892	7.3
98.23367	6.3
105.07030	18.5
105.57289	3.0
109.02939	3.2
117.07032	8.8
119.08546	5.2
121.06520	8.4
123.04433	5.3
131.04863	3.3
131.08559	13.2
135.04407	11.0
135.08058	5.3
137.06000	3.8
143.08577	6.8
145.04939	4.7
145.06525	5.8
145.10121	13.4
147.08028	3.8
149.05994	38.3
151.03925	3.3
155.08534	4.4
159.08002	4.5
159.11699	20.2
161.09596	3.2
163.07558	10.8
171.08058	5.8
173.09596	14.6
173.13304	18.6
175.07532	3.4
183.11679	9.9
187.11131	8.7
191.07068	4.2
201.12724	20.1
203.03453	9.9
205.12285	6.1
219.13805	12.4
229.12222	74.9
230.12662	5.6
247.13295	100.0
248.13591	4.3
265.14349	61.5
266.14554	5.5
283.09161	4.0
292.08170	7.3
301.09430	3.9
359.02402	7.5
445.14853	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.01867	1.7
58.36161	1.6
67.05494	5.1
69.07081	2.1
70.08807	3.1
70.09189	4.1
72.70338	1.5
73.04749	2.3
74.86231	1.8
79.05479	6.6
81.03408	2.5
81.07065	12.3
82.07378	1.9
83.58129	1.8
85.02900	10.5
91.05451	12.2
93.07031	7.7
95.08614	8.5
97.02868	3.6
105.07021	13.7
107.08610	6.9
109.10158	1.8
117.07047	10.9
119.08572	8.6
131.08560	25.4
133.10135	8.7
135.04433	3.4
137.05966	2.3
141.06950	2.6
145.04964	2.3
145.06566	3.0
145.07933	1.7
145.10123	16.0
147.11711	10.3
155.08580	7.6
157.10124	1.8
159.08107	2.6
163.07552	5.3
165.09198	2.6
168.09392	3.1
173.13275	91.7
174.13622	4.6
177.09109	4.5
183.11676	13.8
191.14355	4.4
201.12772	33.0
219.13821	71.6
220.14195	4.0
247.13312	100.0
248.13673	6.8
265.14371	74.8
266.14771	2.1
359.02527	3.1
433.48343	1.8
444.23956	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.4
55.01871	2.8
55.05506	4.6
56.11079	1.9
57.03427	2.2
61.02942	2.9
65.03954	2.7
65.06667	2.1
67.05511	13.6
69.03425	10.6
69.07076	5.0
71.30308	3.0
73.04746	5.2
77.03873	2.3
78.06470	2.0
79.05495	25.3
81.03412	3.9
81.07059	30.6
83.04985	3.7
85.02914	16.6
85.98288	2.0
91.03950	2.0
91.05438	27.6
92.05827	2.2
93.07063	22.4
94.07352	2.1
95.04970	5.2
95.08608	31.6
95.22351	2.1
97.02892	7.6
97.06526	5.4
105.03394	2.1
105.07030	32.4
105.07668	2.7
106.07433	2.3
107.04944	4.3
107.08572	14.4
109.06537	6.1
109.10150	12.7
111.04433	2.5
111.08067	2.5
117.07011	18.4
119.08573	25.4
121.06519	6.5
121.10146	8.5
123.04501	4.0
123.08076	3.4
123.11696	4.4
125.06013	5.6
125.09694	2.4
127.03991	5.3
128.06218	3.2
129.07010	3.4
131.08574	33.8
133.06485	3.1
133.10124	10.3
135.08075	3.5
137.05980	10.2
137.09613	3.8
139.07506	4.3
140.73541	2.0
141.07002	3.4
141.09097	3.5
143.08557	13.2
145.04941	2.4
145.06534	3.9
145.10112	44.0
146.10378	2.6
147.08086	4.7
147.11694	6.0
149.09637	4.5
151.07536	5.1
155.08560	6.9
157.10127	3.8
158.10710	2.8
159.08113	6.2
159.11736	7.0
161.09651	4.5
163.07524	4.0
165.09096	16.9
166.09496	9.3
167.05627	3.3
167.06987	2.5
173.09731	4.9
173.13261	100.0
174.13622	6.4
175.11142	3.1
177.09117	4.4
180.08661	2.8
183.11668	12.4
187.11128	2.4
189.09102	2.6
191.10547	5.1
191.14301	10.1
199.11156	2.3
201.12746	67.7
205.12227	2.3
211.11232	2.2
214.16681	2.2
219.13806	91.9
220.14137	4.0
229.12238	15.7
237.37999	2.0
247.13297	88.4
248.13811	4.7
265.14337	56.5
348.43451	2.4
444.25992	4.4
445.19708	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25942	2.0
56.12427	2.0
56.60019	2.0
69.20711	14.0
73.04759	47.7
73.65634	2.1
84.08128	2.3
91.05798	100.0
92.05732	2.3
93.03702	3.7
98.23318	4.2
98.97584	4.4
114.07331	1.9
116.98596	2.1
136.06190	2.6
139.03899	5.2
149.04498	9.4
158.28897	2.3
166.32861	1.9
167.05568	44.0
199.85439	2.0
206.52527	2.1
225.04289	19.2
227.02315	3.4
237.02933	4.4
275.17328	2.2
324.98505	3.4
342.99847	14.1
359.02841	78.2
360.02872	6.6
431.89844	2.5
442.18872	2.1
445.11139	50.9
446.11200	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1109
Annotation	3'-O-Methylderhamnosylmaysin
Peak:m/z	Relative Intensity
55.43414	6.1
60.20340	5.7
62.48424	5.5
71.30290	9.4
102.91286	6.6
212.85225	11.4
232.92400	6.6
236.89880	6.5
267.35480	6.1
445.11169	100.0
446.11121	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1104
Annotation	3'-O-Methylderhamnosylmaysin
Peak:m/z	Relative Intensity
62.22461	0.2
69.30085	0.6
69.30490	1.6
72.02520	0.2
73.04758	0.4
91.05806	0.8
92.73795	0.3
93.98942	0.3
99.78066	0.2
136.01343	0.4
137.02141	2.1
165.49403	0.3
184.07524	0.3
203.95676	0.3
221.43202	0.3
242.08801	0.3
331.07907	4.7
332.08264	0.5
349.73126	0.3
359.02676	0.6
428.24368	1.0
445.11032	100.0
446.11389	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04539	1.6
55.01877	3.5
57.03435	46.3
57.70244	1.9
61.02927	18.7
63.47678	1.8
64.53478	1.8
68.94617	1.9
69.03426	41.6
69.03775	3.4
69.48508	8.6
71.01353	3.1
71.05006	3.0
71.12827	1.6
73.02917	100.0
73.04759	8.1
79.05505	2.5
81.03424	6.3
85.02904	85.0
87.04475	5.7
91.03966	4.7
91.05818	9.7
97.02888	57.3
98.22617	2.3
99.04469	2.8
99.37543	2.1
103.03962	2.5
107.04954	4.2
109.02876	6.1
113.93808	1.8
114.05503	2.7
115.03927	53.7
127.03920	24.3
132.06592	4.4
133.04965	22.6
134.06015	2.8
141.54652	1.8
144.08020	2.1
145.04950	57.7
149.04410	2.6
150.07616	8.4
158.06053	6.1
163.06021	18.7
167.05518	4.5
180.08708	2.3
201.52907	2.4
205.91829	1.8
223.06053	4.8
239.12495	2.7
241.07143	6.1
248.09149	3.5
251.47675	2.0
259.08182	7.2
266.10226	23.3
266.12790	2.9
295.10339	4.2
340.68347	1.7
359.02972	5.6
428.15552	3.2
445.20374	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.5
55.01879	17.8
57.03442	32.9
59.05012	3.7
61.02921	14.4
61.92169	3.2
63.54370	3.4
65.64110	3.2
68.55090	3.2
69.03432	42.5
69.19076	22.6
69.19474	6.7
70.65560	3.4
71.01353	4.6
73.02914	51.2
81.03400	4.4
85.02905	100.0
87.04453	6.6
90.11088	3.2
90.32016	3.4
91.03968	8.2
92.19440	3.9
97.02892	57.4
98.23377	6.1
99.04449	6.7
107.04953	4.8
109.02886	9.0
115.03922	28.2
127.03922	31.1
130.06482	3.5
133.04944	43.0
145.04958	58.6
150.07634	8.2
158.05992	20.0
163.06020	30.3
266.10226	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48780	2.3
55.01880	9.9
57.03439	20.8
59.05011	2.9
61.02933	10.5
69.03435	27.6
70.06580	4.4
71.01340	3.4
71.05011	2.2
71.29028	2.4
72.08199	1.9
73.02919	49.1
73.04759	48.6
73.05148	3.6
75.02692	1.9
79.05498	2.4
85.02902	67.0
87.04498	3.2
91.03979	4.8
91.05797	100.0
92.05724	2.5
97.02882	33.9
99.04449	3.1
105.07030	44.1
106.07362	22.3
107.04971	3.9
109.02872	4.0
112.16364	1.8
114.07449	1.9
115.03922	29.3
115.22106	1.9
117.69157	2.1
120.04473	4.3
122.09671	26.3
123.10014	7.5
127.03909	19.1
132.06580	2.3
133.04964	28.4
145.04965	32.4
149.04497	7.7
150.07613	6.6
152.07079	9.0
163.06033	15.2
167.05556	42.6
176.07083	9.0
180.08730	2.3
223.06079	3.3
225.04289	20.6
227.02296	5.8
237.02911	2.3
241.06955	3.0
259.08115	3.2
266.10294	5.2
277.09277	2.8
283.11533	5.0
295.10385	2.2
297.71524	2.2
342.99753	13.2
359.02838	70.2
360.02805	8.1
379.46283	2.3
428.16022	2.7
445.16330	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2045
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
54.50179	0.2
67.79862	0.2
69.03422	0.4
70.06379	0.4
71.04995	0.2
71.18686	0.2
73.02918	0.4
73.04762	3.4
85.02911	0.7
86.09691	0.3
91.05803	4.0
95.75095	0.2
97.02924	0.3
98.97610	0.2
109.06529	0.3
110.06037	0.4
111.05569	0.4
111.14263	0.3
120.04471	11.0
135.06624	1.2
138.06635	3.4
139.07428	0.5
145.05003	0.2
149.04527	0.6
163.03961	0.3
163.06126	1.6
164.06960	1.5
167.05594	1.8
180.08856	1.1
181.09561	1.7
184.07207	0.3
225.04376	0.9
257.10309	0.4
265.14352	0.5
282.09790	1.4
283.15317	0.4
299.12680	1.0
324.98758	0.4
341.01849	0.4
342.99835	0.6
359.02844	3.3
360.03143	0.5
427.19467	0.6
445.20477	100.0
446.20694	6.0
452.12833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2071
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
50.61826	3.0
51.66412	2.9
51.86866	3.3
52.85122	3.1
56.52992	3.4
60.22951	3.8
63.03015	3.3
67.05508	6.3
69.03425	9.2
69.12968	28.2
71.04980	3.2
73.04762	55.2
78.88869	3.8
79.05524	5.0
85.02911	5.9
89.98463	3.4
91.05814	100.0
93.07088	6.9
95.04968	9.0
98.97588	3.9
105.07043	11.7
109.06519	3.4
111.04424	5.4
118.80167	4.6
119.08577	14.1
120.04474	55.8
121.06467	5.1
131.08542	3.8
135.02618	3.9
135.06641	5.4
135.08060	12.0
137.06017	10.7
138.06650	16.9
139.07486	5.3
144.08081	15.3
145.06514	4.2
145.10184	5.3
147.08058	8.0
149.04478	9.5
157.10199	3.8
159.08061	7.5
159.11687	7.7
161.09569	7.3
163.06226	8.5
163.07504	7.4
164.06990	8.5
165.09183	6.8
167.05573	44.3
171.08096	4.2
173.09595	5.8
175.07555	14.0
175.11255	5.5
181.09596	5.6
187.11203	7.7
189.09114	5.0
203.10754	5.4
217.12271	5.8
225.04337	16.7
227.02199	4.6
247.13290	27.9
257.10452	3.6
265.14365	64.1
266.14645	9.1
282.09790	6.3
324.98856	4.8
341.01901	5.5
342.99588	13.1
359.02844	63.2
360.02765	8.5
445.16013	12.5
446.17560	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.8
53.03937	2.0
55.01870	1.4
55.05276	0.7
55.05513	9.8
56.33633	0.8
57.07098	0.9
57.61419	0.6
65.03951	1.0
67.05507	11.0
68.08366	0.7
69.03415	3.1
69.07066	3.7
70.89237	1.3
71.05002	1.0
73.04745	2.1
79.05498	7.5
81.03403	2.7
81.07057	10.5
83.04982	24.0
83.08596	1.2
85.02935	0.9
91.05413	10.6
93.07046	13.7
95.04971	5.5
95.08045	1.2
95.08607	16.0
97.02870	0.9
97.06515	1.7
97.10160	0.9
99.04411	0.9
103.05477	1.1
105.03304	0.7
105.06367	1.3
105.07031	16.2
107.04941	1.1
107.08598	7.1
109.06518	4.3
109.10153	4.4
111.04448	14.9
111.08078	5.6
113.05991	1.5
115.05441	3.0
117.07013	5.6
119.04929	1.4
119.08578	13.6
121.06512	4.6
121.10138	3.9
123.04439	0.8
123.08060	2.7
123.11711	1.6
125.05991	1.1
125.09608	1.4
128.06213	5.2
129.07016	6.6
130.07727	1.5
131.08575	8.2
133.06474	2.2
133.10110	8.0
135.08038	4.4
135.11681	1.7
136.08380	0.7
137.05957	4.6
137.09602	1.5
139.07544	1.6
141.06992	5.5
141.09071	0.6
142.07797	6.5
143.08568	8.7
144.09291	1.0
145.06473	2.3
145.10124	7.8
146.07271	0.6
147.08029	3.2
147.11679	2.8
149.06042	1.1
149.09612	3.3
151.07501	1.4
152.06195	0.8
153.05782	0.7
153.06950	4.2
154.07799	5.2
155.08565	11.8
156.09358	4.0
157.06467	1.1
157.10107	7.6
158.07233	1.0
159.08060	5.2
159.11630	4.5
161.09595	3.5
163.07591	0.7
163.11234	1.0
165.06999	5.8
165.09111	9.9
166.07774	2.3
166.09436	6.7
167.05602	1.6
167.07025	1.6
167.08543	7.3
167.09720	1.9
168.09319	3.7
169.06383	0.8
169.10120	13.5
170.10745	1.2
171.08025	4.6
171.11688	5.5
172.08836	1.4
173.09637	4.7
173.13225	1.3
174.10011	0.8
175.07475	0.8
175.11218	3.9
177.09103	1.5
178.07735	5.2
179.08549	13.6
180.09323	4.6
181.06468	1.4
181.10135	6.4
182.07219	1.3
182.10777	2.0
183.08057	2.1
183.11699	6.5
184.08849	1.0
184.12294	0.7
185.09706	4.4
185.13211	2.6
187.07585	1.2
187.11188	4.2
189.07002	0.7
189.09065	1.3
190.07692	1.6
191.08546	4.6
191.10603	1.9
192.09335	35.4
193.10078	12.6
193.12204	2.3
194.10904	5.3
195.08044	4.7
195.11670	6.6
196.12526	1.4
197.09631	6.4
197.13289	3.8
199.07518	1.3
199.11223	2.0
199.14790	1.4
201.09140	1.4
201.12665	1.2
202.07762	2.8
203.08583	4.2
203.10371	0.8
204.09421	3.3
205.10155	7.3
205.12131	1.3
206.10878	7.1
207.11693	31.6
207.13663	1.6
208.08888	1.3
208.12248	2.7
209.09607	2.7
209.13274	6.7
210.10364	1.3
210.13863	1.3
211.11131	3.8
211.14783	1.6
213.09137	4.5
213.12753	2.1
215.08548	2.9
215.10646	7.2
215.14241	0.8
216.09297	3.6
217.10120	6.9
218.10875	4.5
219.08244	1.8
219.11697	11.8
220.08846	2.5
220.12402	3.0
221.09589	2.1
221.13261	6.6
222.10411	1.5
222.13757	0.9
223.11168	4.1
223.14738	0.8
225.12801	4.7
227.10663	1.4
228.09476	1.3
229.10107	5.5
229.12115	1.4
230.10915	6.4
231.11708	7.2
231.13771	1.3
232.08791	1.7
232.12421	3.2
233.09709	3.2
233.13280	5.5
234.10347	1.9
234.13849	1.5
235.11166	11.9
235.14801	2.7
236.11766	1.5
237.12718	2.6
237.16338	1.2
239.08539	0.8
239.10701	1.1
239.14194	1.9
241.12225	1.3
242.10896	3.5
243.11723	7.1
243.13872	1.2
244.12334	4.7
245.09665	3.3
245.13271	10.3
246.10413	2.2
246.13974	2.5
247.11160	6.5
247.14905	3.7
248.11818	1.3
248.15485	1.6
249.12813	2.8
249.16368	1.4
251.10690	2.4
251.14265	1.7
252.11501	1.2
253.09972	1.2
253.12259	11.6
255.11632	3.7
256.12369	3.1
257.09494	1.1
257.13171	4.5
258.10587	1.6
258.13986	3.2
259.11096	3.4
259.14838	6.9
260.12021	1.1
260.15610	2.1
261.12735	3.8
261.16425	3.4
262.13498	1.0
262.17050	1.3
263.10593	3.1
263.14230	2.7
263.17874	0.9
265.12320	5.6
267.11484	1.5
267.13956	1.0
268.12524	1.3
269.13226	2.8
270.10361	0.7
270.14008	3.3
271.11169	2.8
271.14716	5.2
272.11911	2.2
272.15524	2.6
273.12970	4.3
273.16199	5.0
274.13547	1.6
274.16827	1.1
275.10776	1.3
275.14267	2.5
275.17798	1.4
277.12207	1.6
277.15924	2.2
278.16376	0.9
279.13782	1.0
280.12396	0.8
281.12988	1.5
282.14008	1.0
283.14749	1.4
284.11859	1.0
284.15460	1.8
285.12637	2.0
285.16324	5.1
286.13403	1.8
286.17056	2.3
287.10956	1.3
287.14258	4.8
287.17874	4.2
288.15051	2.5
288.18201	1.1
289.12259	2.3
289.15796	4.4
289.19424	1.8
290.13190	1.2
290.16483	1.5
291.13779	3.1
291.17160	1.6
293.15460	1.4
295.14694	1.5
296.15543	1.1
297.12628	1.4
297.16150	1.4
298.13446	1.3
299.14209	2.2
299.17770	1.5
300.15179	1.7
300.18716	1.8
301.12430	0.9
301.15820	3.1
301.19409	2.7
302.12787	0.8
302.16388	1.1
303.13770	2.9
303.17343	3.0
304.14594	1.4
305.15311	5.7
305.18570	1.3
306.15936	1.2
307.20340	1.0
313.15857	6.1
315.13919	1.0
315.17328	3.4
315.20627	0.9
316.17938	1.0
317.15253	2.2
317.18921	1.7
318.16031	1.4
318.19604	1.0
319.16943	1.2
319.20316	0.9
325.15750	1.2
327.17419	1.4
328.18140	4.0
329.18878	1.3
331.16898	7.0
331.20340	1.3
333.18423	3.2
335.19974	2.2
335.23541	1.9
345.18402	2.2
346.19330	5.2
359.02847	2.7
367.20645	1.3
381.22128	2.9
383.19879	1.4
385.05301	0.7
385.17297	0.9
385.21545	2.5
391.20242	1.3
398.57947	0.8
399.23166	19.4
400.23383	2.4
401.25256	4.5
403.22696	1.2
409.21655	5.8
410.21655	1.1
412.20731	0.8
417.24121	3.4
427.22598	37.9
428.22980	5.1
445.23633	100.0
446.11099	0.7
446.23981	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28915	1.1
55.01857	2.5
55.05501	7.2
57.11078	1.2
59.52741	1.2
59.58948	1.2
65.03911	2.5
67.05505	7.5
69.03432	10.8
69.07031	4.2
70.10364	1.3
70.55702	1.9
70.56012	1.5
73.04737	2.6
79.05484	9.0
81.07061	11.3
83.04957	6.7
83.08575	1.5
86.68057	1.2
91.05441	17.0
91.67136	1.3
93.07044	15.3
95.04902	5.7
95.08588	9.2
103.05393	2.6
105.06391	2.1
105.07025	26.4
107.04887	1.9
107.08614	13.5
109.02770	1.5
109.06519	6.7
109.10099	5.8
111.04404	4.7
111.08012	3.8
115.05418	6.1
117.06997	12.4
119.04896	2.4
119.08589	13.7
121.06442	5.3
121.10061	3.0
123.08008	5.4
123.11585	1.9
125.09601	1.6
128.05403	1.7
128.06206	21.0
129.07007	16.7
130.07698	4.6
131.04948	8.4
131.08572	18.3
133.06395	4.1
133.09212	1.7
133.10114	21.4
135.08055	14.8
135.11662	1.8
137.05934	2.5
137.09514	2.1
141.06981	11.1
142.07777	21.7
143.08565	40.2
144.09274	1.9
145.06485	9.7
145.10120	17.5
146.07191	2.2
147.08075	8.1
147.11696	6.4
149.09547	3.8
149.13118	1.4
151.07539	1.9
152.06052	1.7
153.06993	7.8
154.07777	8.1
155.07397	1.5
155.08549	17.0
156.09239	5.7
157.06380	3.3
157.10120	29.2
158.07132	4.2
159.08044	13.3
159.11720	8.4
159.12730	2.5
160.08698	3.2
161.09613	33.4
161.13118	2.2
163.11086	1.6
165.05617	1.9
165.06972	10.3
165.09079	9.7
166.07704	3.4
167.06909	3.9
167.08438	10.3
168.09361	8.1
169.06453	1.8
169.10123	19.7
170.10680	1.5
171.08041	51.8
171.09322	2.0
171.11656	11.1
172.08507	4.2
173.09633	18.7
173.13139	4.0
175.11194	16.7
177.09012	1.8
178.07693	2.4
179.08533	11.4
180.09319	9.3
181.06363	4.5
181.10095	9.6
182.07217	3.4
182.10751	4.7
183.08064	6.6
183.11668	17.4
184.08417	1.4
185.09619	22.7
185.13113	4.6
187.07446	5.1
187.11179	16.1
188.11819	2.0
189.09018	3.7
189.12575	4.0
191.08420	2.2
192.09204	4.5
193.10092	14.0
194.10654	4.8
195.08000	7.2
195.11707	15.9
196.08850	6.9
196.12039	1.7
197.09599	23.7
197.13248	10.6
198.10146	4.2
199.11143	10.6
201.08966	5.6
201.12758	8.7
203.08690	3.0
203.10544	13.9
204.09178	2.5
205.10170	2.7
206.10727	4.8
207.08020	1.3
207.11748	12.6
208.08629	5.2
208.12338	2.4
209.09471	5.7
209.13237	9.4
210.10356	7.2
211.11177	100.0
211.14317	4.4
212.11543	6.4
213.08995	3.1
213.12749	14.5
215.08514	1.9
215.10524	2.9
217.10040	3.4
217.12074	3.8
218.10622	2.1
219.07909	2.2
219.11742	7.1
220.12274	3.0
221.09515	3.4
221.13222	10.7
222.10239	5.2
223.09200	1.8
223.11163	32.4
223.14639	4.3
224.11879	8.0
225.12724	31.6
226.13106	4.4
227.10561	1.8
227.14091	4.0
229.10002	2.2
229.11971	1.7
230.10742	2.1
231.11484	4.2
232.12259	3.2
233.09442	3.9
233.13014	4.5
234.10190	3.8
235.10945	4.9
235.14600	4.0
236.11778	2.1
237.12730	28.4
238.12836	1.5
239.10478	4.5
239.14423	6.7
240.14359	1.3
241.12207	8.0
242.10719	1.8
243.11609	3.6
244.12234	2.2
245.09322	2.4
245.13057	6.1
246.10266	1.9
246.13646	2.0
247.11163	8.2
247.14673	4.2
248.11703	3.7
249.12758	15.5
249.16315	1.7
251.10497	1.8
251.14392	6.8
253.12332	6.4
253.15718	3.9
255.13727	1.9
257.09207	1.8
257.13052	4.7
258.13821	2.8
259.10995	2.4
259.14856	7.0
260.11948	2.6
261.12540	8.1
261.16162	2.3
262.13171	2.9
263.14276	7.5
265.12009	5.1
265.15640	3.1
267.11432	2.6
268.12283	2.4
269.13120	2.5
270.13998	1.9
271.14670	3.6
272.15295	3.1
273.12515	4.7
273.16260	2.8
274.13269	4.5
275.14023	9.8
275.17166	2.7
276.14716	2.0
277.15646	5.7
279.17224	2.4
281.12976	4.6
282.13846	1.7
283.11041	2.1
283.14404	2.9
284.15347	1.6
285.12427	3.9
285.16229	2.0
286.13232	2.9
287.14035	7.9
287.17508	3.1
288.14764	4.6
289.15582	8.5
291.17102	3.9
293.15219	3.8
294.13803	2.1
295.11386	1.6
295.14539	6.1
296.11758	2.1
296.15256	2.2
299.14511	6.3
299.17316	2.0
300.14801	5.6
301.15662	6.0
301.18930	1.5
303.17154	5.6
305.15546	2.6
305.18668	7.2
306.13605	1.5
307.14633	2.3
309.12640	1.7
309.16058	3.2
310.13116	2.2
310.16931	2.2
311.13846	4.1
311.17484	3.0
313.15973	6.6
314.16568	13.6
315.17328	13.4
317.18640	2.4
318.13724	4.1
319.14450	4.8
319.20370	3.2
320.15347	2.9
321.16190	2.6
322.13400	2.4
322.16763	1.9
323.13989	2.8
323.17551	2.0
324.14688	2.9
325.15552	5.9
325.19040	1.7
327.17184	3.0
328.17844	2.9
329.18948	6.4
331.16736	2.9
331.20401	5.0
333.16180	10.6
333.22250	2.1
334.16791	5.6
335.14151	2.7
335.17654	2.4
336.14929	1.9
337.15540	4.3
338.16339	3.7
339.17072	4.7
339.20837	3.2
341.18686	2.7
345.21878	1.8
346.13327	2.1
346.22455	2.1
347.13867	2.9
347.17758	2.6
348.18390	4.8
349.15585	1.9
349.19168	6.3
350.16293	1.7
351.13358	2.5
351.17413	9.1
352.17758	5.2
353.14874	1.9
353.18750	4.2
355.16568	1.5
357.21783	3.7
359.02640	2.1
361.15863	10.1
362.16153	2.9
363.21161	6.5
364.14252	1.8
365.18683	1.9
366.19388	5.2
367.16763	2.8
367.20578	19.9
369.18158	2.0
373.19308	4.1
376.18292	11.9
379.16904	7.5
380.17368	2.4
381.22195	12.9
382.22195	1.9
383.19690	1.9
385.21536	7.8
391.20532	41.6
392.20587	4.1
394.19241	9.3
399.23053	11.6
400.23181	1.8
403.22574	2.1
409.21564	97.4
410.21936	11.1
417.23581	2.5
427.22339	72.8
428.22754	8.2
445.23196	84.3
446.23669	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01868	2.8
55.05512	6.1
65.03953	1.0
67.05511	11.8
69.03429	2.6
69.07072	5.0
69.12296	0.9
70.04923	0.9
70.12196	0.8
71.05004	1.3
73.04758	1.8
79.05483	7.5
81.07050	9.6
83.04983	9.6
83.08619	2.6
91.05455	10.1
93.07047	17.6
95.04964	4.3
95.08604	20.9
97.06541	3.8
98.23396	1.4
99.04441	1.5
103.72462	0.8
105.03377	6.8
105.04536	1.0
105.07025	13.3
106.03761	0.9
107.08577	10.2
109.02877	1.6
109.06507	4.2
109.10163	4.8
111.04456	5.0
111.08080	8.1
117.07046	3.4
119.08582	12.4
121.06522	3.7
121.10129	5.7
123.08064	5.1
123.11709	1.0
124.50838	1.0
125.09634	0.8
128.06241	3.4
129.07043	5.1
130.07767	1.1
131.08574	10.0
131.50468	0.8
133.02936	1.0
133.10138	7.7
135.08026	5.6
135.11702	1.9
137.05989	2.7
137.09613	1.9
139.07590	3.8
141.07022	4.1
141.09041	0.9
142.07834	2.7
143.08574	8.1
143.36693	0.9
145.06485	4.6
145.10150	7.0
147.08040	5.7
147.11674	4.5
149.09648	2.7
152.06206	1.1
153.07072	1.1
154.07748	1.2
155.08543	7.8
156.09299	2.7
157.06512	1.8
157.10143	9.3
158.07286	1.9
159.08054	8.8
159.11687	6.7
161.09630	4.8
161.13269	2.2
163.11191	3.2
165.07018	2.7
166.07799	2.5
167.08589	5.0
168.09337	2.0
169.10095	7.7
170.10690	1.1
171.08063	2.7
171.11670	4.8
172.08911	1.3
173.09567	6.6
173.13274	3.2
175.11182	5.9
178.07857	1.3
179.08511	6.3
180.09302	2.7
181.10132	7.7
182.10870	2.2
183.08112	1.3
183.11667	6.6
184.08899	1.8
185.09627	4.3
185.13188	2.0
187.11206	5.7
189.12743	4.3
191.08551	1.9
192.09393	4.2
193.10143	9.5
193.12094	1.7
194.07344	1.9
194.10928	3.5
195.08069	2.7
195.11685	7.5
196.12286	1.5
197.09595	5.0
197.13290	3.8
198.10352	1.4
199.11176	10.2
199.14894	1.7
201.12773	19.1
202.13098	1.7
203.08595	1.7
204.09305	1.7
205.10190	6.4
205.12125	1.5
206.10828	7.5
207.08191	1.7
207.11708	11.1
207.13716	1.3
208.08708	1.8
208.12325	4.5
209.09639	4.6
209.13213	7.0
210.10440	1.8
211.11131	5.5
211.14856	2.9
213.12735	4.9
215.08588	2.0
215.14427	1.1
216.09239	1.2
217.10188	3.4
218.10794	3.0
219.11668	10.2
220.12456	3.4
221.09663	3.5
221.13240	10.1
222.10548	1.0
222.13887	2.7
223.11157	5.1
223.14729	5.1
224.11934	1.4
225.12733	5.6
227.14401	2.7
229.10190	2.2
230.10951	3.0
231.11566	4.8
232.12480	5.1
233.09718	1.9
233.13205	9.1
234.10378	2.0
234.14037	2.6
235.11205	5.0
235.14810	5.9
236.12106	2.7
236.15479	1.1
237.12813	4.8
237.16414	1.6
238.13426	1.0
239.14275	8.7
241.15837	2.4
242.10954	1.1
243.11749	2.9
244.12546	4.0
245.13199	7.2
246.14070	3.6
247.11246	4.0
247.14819	6.1
248.12048	2.6
248.15523	2.2
249.12788	8.7
249.16359	4.4
250.13510	2.6
251.14331	18.7
252.14931	1.0
253.15800	7.1
255.17548	1.2
256.12469	2.1
257.13272	2.9
258.14026	2.5
259.10864	1.3
259.14871	3.3
260.12039	1.5
260.15442	1.9
261.12918	5.5
261.16257	5.7
262.13412	2.4
262.16818	1.3
263.14325	14.9
263.17773	2.1
264.14905	2.0
265.15869	9.5
266.16403	1.3
267.17416	1.5
270.14066	1.8
271.14844	2.4
272.15427	1.9
273.12750	3.2
273.16397	3.5
274.13434	1.8
274.16766	1.5
275.14346	6.7
275.17957	3.0
276.15021	1.8
277.15921	10.7
279.17410	4.6
282.14380	1.1
285.13138	1.0
285.16541	3.3
287.14398	3.2
287.17990	4.6
288.15021	2.1
288.18573	1.9
289.15857	8.8
289.19510	3.3
290.16367	2.5
291.17398	7.5
293.19006	2.1
299.17981	1.9
301.16037	2.4
301.19748	1.1
302.16507	1.4
303.14178	1.6
303.17529	10.0
303.20856	1.2
304.18134	2.6
305.15598	2.1
305.19000	24.4
305.22375	1.8
306.19641	2.9
307.20493	5.8
313.16254	1.5
313.19672	3.0
315.17529	2.6
317.18951	5.8
317.22452	1.4
319.20682	2.5
327.17374	1.4
327.21027	1.6
328.21820	1.5
329.18997	3.6
330.19580	1.6
331.20499	17.1
332.21143	2.1
333.22128	6.6
334.22687	1.0
335.23779	4.0
343.20654	2.5
345.22012	5.2
346.22736	6.3
347.19937	1.3
347.23727	1.3
349.21585	1.8
357.22205	2.7
367.20676	1.4
371.19751	1.6
371.23935	1.9
385.21292	5.1
399.27075	6.6
400.27686	1.0
402.22021	1.5
403.22690	3.6
409.25366	6.0
410.26010	1.2
417.27832	3.0
427.26410	35.3
428.26605	5.0
445.27451	100.0
446.27768	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
55.01852	1.2
55.05519	4.3
56.58955	0.7
57.03429	0.9
58.12346	0.6
59.05019	0.7
61.61663	0.7
65.24384	0.7
67.05506	9.3
69.03426	2.0
69.07059	2.0
69.34492	4.7
69.34853	0.8
75.70060	0.6
79.05492	5.5
81.07060	11.4
83.04983	4.6
83.47128	0.8
91.05474	8.0
91.30235	0.7
93.07046	11.7
95.04944	1.7
95.08610	17.3
97.06533	1.9
97.10130	0.8
100.64323	0.7
105.07031	12.1
107.04958	0.9
107.08604	8.2
109.02823	0.7
109.06532	5.6
109.10159	5.1
111.04450	1.8
111.08089	3.1
113.06039	1.0
117.07021	2.5
119.08588	7.8
121.06491	3.4
121.10168	2.4
123.08065	5.5
123.11743	1.1
128.06183	1.7
129.07030	3.8
131.08574	3.6
133.10130	7.3
135.08044	3.4
135.11694	2.7
137.09673	1.0
139.07549	1.7
141.06979	1.8
141.09090	0.9
142.07805	3.1
143.08592	4.8
145.10136	4.3
146.07303	0.9
147.08054	4.2
147.11691	2.2
149.09656	2.5
153.06976	2.0
154.07835	1.0
155.08542	7.1
156.09332	2.7
157.06491	4.2
157.10123	6.3
159.08038	2.5
159.11714	2.8
160.08858	1.3
161.09627	6.2
161.13261	2.0
163.11177	2.8
165.07028	3.6
166.07780	1.8
167.08534	4.7
168.09265	1.0
169.06509	1.4
169.10146	5.2
171.08061	2.0
171.11691	4.5
173.09637	1.1
174.10428	1.0
175.11197	3.7
176.04117	0.7
177.07042	0.8
177.12889	0.8
178.07785	2.2
179.08537	5.8
180.09332	2.5
181.06503	1.8
181.10124	7.6
182.07283	1.5
182.10880	1.3
183.08052	2.6
183.11600	4.2
184.08862	1.3
185.09569	3.3
185.13293	1.1
187.11182	1.6
189.12724	4.4
190.07712	1.1
191.08566	2.6
192.09373	3.9
193.10104	6.6
194.07285	3.1
194.10918	1.8
195.08028	6.4
195.11708	5.2
196.08812	1.5
196.12413	0.8
197.09605	7.1
197.13312	2.4
199.11194	11.7
201.12712	1.1
202.07806	1.0
203.08533	2.3
203.10391	0.8
204.09305	1.3
205.10127	4.2
206.10936	3.8
207.08067	4.4
207.11740	7.9
207.13654	1.6
208.08850	5.0
208.12450	2.7
209.09630	13.5
209.13190	5.7
210.10378	1.6
210.13812	1.0
211.11182	2.4
211.14684	1.6
213.12720	2.3
215.08582	1.0
216.09407	1.9
217.10132	2.6
218.10928	2.3
219.08104	3.0
219.11694	6.1
220.08781	1.7
220.12415	1.9
221.09653	10.9
221.13174	9.0
222.10294	4.0
222.13849	1.5
223.11214	7.8
223.14667	4.3
224.11797	1.0
225.12750	4.9
227.14294	1.1
229.10136	2.4
230.10973	2.0
231.11678	2.9
232.08839	1.4
232.12393	1.6
233.09688	5.2
233.13252	4.3
234.10419	3.5
234.14001	2.2
235.11189	7.8
235.14749	3.4
236.11928	4.1
237.12767	7.3
237.16383	1.8
238.13423	1.7
239.14297	8.6
240.14743	0.9
241.16061	1.1
243.11681	2.3
244.12479	1.0
245.09584	1.3
245.13274	3.6
246.10332	1.7
246.14029	1.1
247.11159	7.6
247.14859	5.3
248.12013	3.6
248.15573	2.0
249.12747	11.2
249.16354	2.0
250.13405	2.8
251.14317	32.2
252.14812	2.9
253.15895	2.8
255.11700	1.0
257.13153	1.1
258.10321	1.0
258.14130	1.5
259.11215	2.5
259.14795	2.9
260.11874	1.4
261.12778	7.0
261.16403	3.6
262.13528	4.9
262.17200	1.1
263.14316	15.3
263.17859	2.0
264.14847	1.5
265.15884	16.3
266.16367	1.7
267.17471	2.2
271.14795	1.0
272.12317	0.7
272.15451	1.4
273.12759	2.1
273.16327	1.8
274.13651	1.8
275.14331	5.0
275.17673	1.3
276.15091	1.6
277.15921	12.3
277.19376	2.2
278.16205	1.7
278.66205	0.7
279.17554	2.3
283.17084	0.8
285.16312	0.9
287.14258	2.3
287.17896	2.6
288.15060	0.9
289.15918	7.3
289.19458	2.2
290.16656	3.2
291.17459	8.4
292.17883	1.2
297.12549	0.8
299.17630	0.9
301.15942	1.7
303.17505	5.2
303.20819	1.0
304.18109	3.9
305.19003	37.0
306.19583	3.6
307.20483	3.8
313.19455	0.9
315.17474	1.4
316.18283	1.1
317.18997	4.1
319.20566	0.9
321.18613	0.9
329.18988	2.8
331.20563	10.2
332.21027	1.6
333.22156	1.6
343.20578	1.8
345.22165	2.8
346.22894	2.8
347.20087	1.0
349.21619	1.9
367.20453	0.8
371.20142	2.2
385.21027	1.3
385.25589	3.3
389.21033	2.0
399.26859	4.2
402.21387	0.9
403.22388	1.5
403.26895	1.0
409.25253	2.9
417.27951	4.0
427.26331	14.0
428.26715	2.4
430.24792	0.8
445.27371	100.0
446.27670	14.6
452.50436	0.8
452.57397	0.8
462.63748	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01870	0.9
55.05512	3.6
57.07058	0.9
59.04988	0.8
65.03952	0.6
67.05171	0.7
67.05506	7.8
69.03426	1.5
69.07059	3.1
69.09961	0.7
69.10368	3.0
71.04987	0.4
76.43885	0.4
77.03920	0.4
79.05492	5.4
81.03397	0.4
81.07056	7.2
83.04974	5.1
83.08619	0.8
85.06554	0.9
89.75011	0.3
91.05463	6.4
91.34908	0.3
93.07040	9.4
95.04966	3.4
95.08604	16.2
96.00222	0.4
97.06538	1.7
97.10176	0.7
99.04446	0.4
102.86543	0.4
105.07037	9.7
107.04923	0.4
107.08593	7.5
107.77726	0.4
109.02847	0.4
109.06522	3.4
109.10152	3.9
111.04429	2.5
111.08085	3.4
112.59235	0.4
113.05105	0.4
113.05996	0.7
115.05446	0.9
117.07018	2.6
119.08577	8.6
120.10280	0.4
121.06491	2.3
121.10143	3.6
123.08065	5.2
123.11713	0.9
125.09640	0.6
128.06197	2.2
129.07002	4.4
130.07822	0.9
131.08553	5.9
133.06496	0.6
133.10117	6.5
135.08051	4.3
135.11707	1.7
137.06003	0.5
137.09598	0.7
139.07516	1.1
141.06952	2.4
141.09129	0.8
141.76529	0.4
142.07799	3.9
143.08551	6.6
144.09402	1.1
145.06487	0.5
145.10114	6.9
146.07253	0.9
147.08047	2.9
147.11673	2.5
149.09618	1.8
151.07588	0.3
152.06129	0.5
153.07008	1.8
154.07808	0.9
155.08534	8.0
156.09323	2.8
157.06477	1.6
157.10117	9.1
158.07291	0.6
158.10768	0.5
159.08078	2.4
159.11699	4.6
160.08769	0.7
161.09624	5.9
161.13269	0.9
163.11140	1.6
163.14888	0.4
165.06970	3.2
166.07831	1.8
167.08537	3.8
168.09331	1.2
169.10114	7.3
170.10806	0.7
171.08011	1.8
171.11684	5.7
172.08868	0.9
173.09639	2.0
173.13284	1.2
174.10262	0.5
175.11195	2.4
178.07780	1.8
179.08560	5.7
180.09267	2.2
181.06531	0.5
181.10109	7.1
182.07304	0.7
182.10875	2.0
183.08054	1.5
183.11678	5.6
184.08849	1.1
184.12306	0.8
185.09618	4.6
185.13258	2.4
187.11200	2.7
187.14813	0.5
189.12721	2.1
190.07695	0.5
191.08519	2.0
192.09308	2.9
193.10118	9.5
194.07292	0.8
194.10907	3.2
195.08066	2.6
195.11691	8.2
196.08786	0.8
196.12419	1.4
197.09531	3.7
197.13242	4.4
199.11174	8.4
199.14796	0.9
201.12778	0.9
202.07756	0.4
203.08481	1.8
204.09328	0.8
205.10175	3.8
205.12038	0.5
206.10905	5.6
207.08112	1.5
207.11676	10.6
207.13603	0.8
208.08824	1.3
208.12447	3.9
209.09660	4.8
209.13225	6.4
210.10461	0.9
210.13943	1.3
211.11192	2.9
211.14812	2.0
212.11899	0.5
213.12794	2.1
215.08618	1.0
215.14378	0.6
216.09355	1.1
217.10135	2.0
218.10808	2.1
219.08154	0.9
219.11707	5.2
220.08885	0.7
220.12450	3.1
221.09720	3.8
221.13219	11.3
222.10376	1.6
222.13866	1.5
223.11253	4.0
223.14778	6.7
224.11981	0.8
224.15236	0.7
225.12660	3.3
225.16393	1.1
227.14301	1.2
229.10143	0.8
230.10976	1.3
231.11707	2.9
231.32558	0.5
232.08804	0.5
232.12529	2.0
233.09756	1.9
233.13229	5.8
234.10278	1.8
234.14001	2.1
235.11223	4.2
235.14772	4.5
236.11963	3.0
236.15540	0.6
237.12735	5.2
237.16287	1.8
238.13258	0.5
239.14307	8.0
240.14726	0.9
243.11662	1.6
244.12465	1.3
245.09590	0.5
245.13235	2.9
246.10381	0.8
246.14052	2.2
247.11192	2.8
247.14812	4.3
248.11938	2.0
248.15579	2.1
249.12735	9.1
249.16431	2.0
250.13329	1.9
250.17149	0.6
251.14284	15.1
251.18088	0.8
252.14783	1.3
253.15894	1.5
256.12527	0.8
257.13226	1.9
258.13971	1.4
259.11179	0.9
259.14737	2.3
260.12024	0.9
260.15366	1.0
261.12723	2.7
261.16391	4.2
262.13605	2.2
262.17123	1.8
263.14334	6.9
263.17923	3.6
264.14935	0.9
264.18469	0.6
265.15848	7.0
266.16278	1.0
267.17429	1.2
270.13889	0.6
271.14853	1.5
272.15665	1.1
273.12988	0.9
273.16348	2.2
274.13480	0.8
274.16763	0.7
275.14340	2.4
275.17899	1.5
276.15033	1.2
276.18466	0.6
277.15866	6.8
277.19476	2.5
278.16412	1.2
278.20111	0.5
279.17502	1.5
279.20822	0.5
284.15692	0.5
285.16180	0.8
286.17142	0.6
287.14639	0.7
287.17990	3.4
289.15866	3.5
289.19473	1.8
290.16544	1.7
291.17410	6.5
292.17947	0.5
297.18625	0.8
299.17883	0.7
301.15808	1.2
301.19379	1.0
303.17490	3.5
303.21002	1.0
304.17987	1.8
304.56262	0.5
305.18991	25.1
306.19635	3.7
307.16980	0.7
307.20615	2.7
313.19513	0.9
314.20035	0.4
315.17419	1.0
316.17957	0.5
317.18924	2.0
319.20636	1.1
327.21115	0.6
329.19003	1.5
331.20538	6.0
332.20993	1.0
333.22162	1.1
343.20609	1.1
345.22177	1.8
346.22803	2.3
347.19824	0.5
349.21643	1.5
353.19006	0.8
369.22296	0.5
371.19827	0.7
371.23859	0.9
381.26053	0.5
385.25378	0.6
389.21109	1.2
399.27020	3.3
401.24652	0.5
403.22168	0.7
403.26691	1.0
409.25235	1.7
417.27887	7.1
418.28082	1.2
427.26279	11.7
427.31717	0.8
428.26895	1.9
445.27362	100.0
446.27670	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.6
53.03945	7.0
55.01861	3.9
55.05512	9.2
57.07093	1.5
65.03929	2.6
67.05508	17.5
67.95306	1.2
69.03421	4.8
69.07079	6.7
69.62962	7.7
79.05496	17.4
81.07051	24.1
83.04984	13.2
83.08608	2.0
91.05466	30.3
93.07044	32.8
95.04961	11.6
95.08604	29.4
97.02896	1.4
97.06544	6.6
97.66345	1.5
103.05454	2.7
105.07031	38.4
107.04962	3.0
107.08595	24.4
109.02903	7.9
109.06519	12.0
109.10145	8.5
111.04445	5.3
111.08096	9.9
115.05456	5.9
117.06990	12.2
119.08581	36.4
121.06502	13.4
121.10142	10.6
123.08067	9.5
123.11652	2.9
125.05973	1.7
128.06215	14.0
129.07008	16.2
130.07779	5.3
131.08557	29.6
132.09343	2.4
133.06541	3.4
133.10135	21.2
135.08049	18.2
135.11707	4.6
137.05980	20.4
139.07509	8.6
141.06976	10.0
142.07771	19.3
143.08562	37.5
144.05692	1.9
144.09370	3.9
145.06509	9.3
145.10121	31.8
146.07275	2.3
147.08063	10.8
147.11687	12.0
149.09566	4.1
152.06273	1.6
153.07048	7.4
154.07765	4.5
155.08553	23.6
156.09334	13.4
157.06519	8.1
157.10121	42.0
158.07205	2.4
158.10867	2.5
159.08043	20.3
159.11673	18.1
161.06058	1.5
161.09602	16.1
161.13277	5.3
163.07506	2.2
163.11177	3.4
165.07005	11.2
166.07739	3.6
167.08569	12.3
168.09337	5.3
169.06483	5.0
169.10129	17.4
170.07225	2.5
170.10907	10.8
171.08043	52.7
171.11667	25.8
172.08728	5.5
173.09610	20.3
173.13268	8.4
175.07593	2.8
175.11267	8.0
178.07735	2.2
179.08562	9.8
179.10753	1.5
180.09280	7.6
181.06461	3.2
181.10083	13.1
182.07271	3.2
182.10861	4.1
183.08043	16.6
183.11696	18.1
184.08844	4.3
184.12402	2.3
185.09642	28.1
185.13240	24.0
186.10315	2.1
187.11197	15.5
187.14828	4.2
189.09158	2.9
189.12834	6.8
191.08553	3.2
192.09340	5.2
193.10162	11.8
194.10918	3.0
195.08104	6.7
195.11717	19.5
196.08873	4.5
196.12433	1.8
197.09653	12.4
197.13248	13.8
198.10400	15.4
199.11180	34.0
199.14754	7.1
200.11647	2.2
200.15276	2.1
201.12724	17.6
203.08646	2.3
203.10716	5.1
203.14388	3.3
204.09322	2.0
205.10132	5.3
206.10893	3.1
207.08058	2.0
207.11720	10.6
208.08841	2.5
208.12357	2.1
209.09654	8.7
209.13240	14.1
210.10275	3.0
210.13896	2.3
211.11194	13.9
211.14754	6.9
212.11906	3.3
213.12738	85.6
214.13121	4.5
215.08617	2.2
215.10791	2.3
215.14297	19.8
216.09421	2.8
216.14610	3.1
217.10146	6.3
217.12273	6.3
218.10945	4.5
219.08090	2.7
219.11711	10.6
219.13748	2.6
220.08765	1.5
220.12372	4.3
221.09782	7.1
221.13234	9.2
222.10397	4.0
222.13847	1.6
223.11215	7.7
223.14816	8.6
225.12729	16.6
225.16310	2.7
227.14336	23.5
229.10019	3.8
229.12308	5.7
229.15919	2.1
230.10835	2.0
231.11674	8.1
231.13852	14.9
232.12503	4.1
233.09608	5.7
233.13213	10.1
233.15219	2.2
234.10373	3.3
234.13908	1.9
235.11182	6.3
235.14867	5.3
236.11932	3.7
237.12732	9.7
237.16385	4.2
239.14323	10.4
241.15919	5.0
243.11823	7.9
243.13889	2.7
244.12421	1.8
245.13237	5.3
245.15407	6.3
246.10384	2.5
246.13988	3.3
247.11229	7.8
247.14836	12.9
248.12024	3.6
248.15514	2.7
249.12688	8.4
249.16399	5.3
251.14313	8.4
251.18060	2.2
253.15976	5.9
255.11719	3.1
255.14079	1.9
255.17244	1.8
256.12503	1.9
257.13205	4.2
257.15543	2.2
258.14130	2.0
259.14874	4.7
259.17267	1.8
260.11819	1.6
260.15649	2.2
261.12720	6.7
261.16428	6.2
262.13556	3.6
263.14313	9.1
263.17896	4.0
264.14859	3.0
265.15854	11.6
267.17532	1.9
269.13400	2.0
270.14053	3.0
271.11551	1.4
271.14816	5.7
272.15613	3.2
273.12842	3.5
273.16272	3.5
275.14349	4.3
275.17950	3.1
276.15118	2.3
277.12527	2.3
277.15891	7.3
277.19626	2.2
278.16412	1.6
279.17459	2.3
281.13156	1.9
283.14597	2.9
285.16327	9.2
286.17068	3.8
287.14493	2.0
287.17908	3.3
289.15881	8.3
289.19473	10.2
290.20258	2.4
291.17447	7.9
291.20740	2.2
299.17749	1.7
301.15680	2.0
303.17493	8.6
303.20944	3.1
305.18933	14.8
305.22165	2.3
306.19739	2.9
307.20477	13.7
308.20908	2.6
309.18820	1.8
313.19388	8.1
315.17346	2.9
315.21201	1.5
316.57065	1.7
317.19104	1.8
317.22583	2.0
319.20486	2.2
321.18491	2.2
327.21085	2.4
328.21750	6.2
329.19119	3.2
331.20517	11.6
333.22153	3.6
343.20670	1.6
345.22156	4.4
346.22925	6.0
349.21548	7.1
357.22229	5.9
357.45462	1.7
367.20438	3.1
371.19794	2.2
371.23834	4.2
372.24286	1.8
385.21497	11.2
399.26862	14.6
400.27365	2.2
403.22598	9.4
409.25037	7.8
417.28293	8.2
427.26337	43.1
428.26627	6.4
445.27359	100.0
446.27765	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.6
55.01853	2.0
55.05513	7.4
58.36712	1.1
66.26773	1.0
67.05503	13.1
67.15106	1.0
68.72421	1.1
69.03414	3.8
69.07056	4.9
69.64781	5.1
73.04744	2.6
79.05483	5.2
81.07056	10.0
83.04985	12.9
83.08627	2.3
90.76180	1.0
91.05429	12.3
93.07041	18.5
95.04941	5.9
95.08605	22.6
96.08911	1.2
97.06515	2.1
105.07023	14.5
107.04953	2.2
107.08597	11.5
107.95641	1.1
109.06535	7.1
109.10154	7.2
111.04475	5.2
111.08096	8.6
113.06041	2.6
115.05428	1.7
117.07014	7.4
119.08569	14.3
121.06495	5.5
121.10133	5.0
123.08067	6.1
123.11722	1.4
125.05955	1.3
125.09597	1.3
128.06227	3.6
129.06967	6.4
130.07822	1.5
131.08592	11.4
133.06447	2.4
133.10129	9.5
135.08073	5.7
135.11702	1.8
137.05997	1.4
137.09583	1.5
137.95953	1.0
139.07523	4.5
141.06978	4.9
142.07770	3.2
143.08568	9.6
144.09262	1.2
145.06493	7.6
145.10150	10.8
147.08073	5.7
147.11639	6.2
149.09596	3.9
153.06999	2.9
154.07820	1.1
155.08540	12.4
156.09241	1.8
157.06520	3.9
157.10115	10.7
158.07278	2.8
159.08054	13.0
159.11673	9.0
160.08852	2.9
161.09628	7.8
161.13268	2.0
163.11171	3.0
165.07005	4.5
166.07773	1.8
167.08568	4.5
168.09320	2.4
169.10133	7.5
170.10820	1.5
171.08055	1.6
171.11678	6.6
172.08804	3.2
173.09619	8.7
173.13290	7.2
174.10265	1.9
175.11160	7.2
178.07845	2.2
179.07179	1.3
179.08521	6.9
180.09193	1.1
181.06537	1.9
181.10129	10.2
182.10851	2.0
183.08035	3.7
183.11678	10.7
184.08691	1.2
185.09743	5.0
185.13287	3.1
187.11198	8.1
189.12753	6.6
191.08600	2.8
192.09334	4.6
193.10091	11.3
194.10834	3.8
195.07973	3.5
195.11667	9.0
196.12392	1.6
197.09653	5.7
197.13269	5.9
198.13947	1.2
199.11179	12.3
199.14769	1.4
201.12743	35.6
202.13045	1.6
203.08553	2.2
204.09215	2.0
205.10156	6.2
205.12172	1.9
206.10936	4.2
207.11699	12.0
207.13684	1.9
208.08873	1.9
208.12433	3.2
209.09627	6.1
209.13260	8.6
210.10349	3.9
211.11203	6.9
211.14847	4.0
213.12677	5.5
215.14345	3.3
216.09282	2.4
217.10129	4.5
218.10828	3.6
219.08105	1.5
219.11642	10.6
220.12439	4.6
221.09625	4.1
221.13246	12.6
222.13959	2.5
223.11273	5.5
223.14769	5.5
224.11909	1.7
225.12788	6.2
225.16249	1.1
227.14310	3.4
228.09196	1.4
229.10103	3.0
230.10875	4.7
231.11607	7.7
232.12462	4.5
233.09639	2.2
233.13293	10.2
234.13951	4.6
235.11163	3.2
235.14836	8.2
236.11852	2.6
237.12704	5.4
237.16533	1.2
239.14299	13.0
241.09927	1.1
241.15932	3.5
242.10866	2.1
243.11693	4.4
244.12431	3.6
245.13239	10.0
246.10370	2.0
246.13928	4.9
247.11208	7.2
247.14793	9.1
248.11880	3.8
248.15520	2.7
249.12724	6.9
249.16440	5.8
250.13391	1.9
251.14311	25.4
251.17072	1.5
251.18094	1.5
252.14798	1.9
253.15900	9.9
256.12433	3.2
257.13266	4.9
258.13940	2.3
259.10950	2.3
259.12964	1.6
259.14920	4.2
260.11768	1.8
260.15573	4.1
261.12726	5.6
261.16357	8.0
262.13455	4.0
262.17282	1.2
263.14294	19.4
263.17340	1.9
263.18127	1.8
264.14877	1.7
265.15881	13.2
267.17560	2.8
269.13303	2.6
270.13882	1.6
271.14749	4.9
272.15610	2.2
273.12775	4.1
273.16376	4.6
274.13495	2.7
274.16891	1.6
275.14291	7.1
275.17758	2.1
276.14999	3.4
277.15878	14.1
278.16296	1.2
279.17386	6.1
285.16364	3.3
286.17078	2.3
287.14322	3.8
287.17963	5.5
288.15115	3.5
288.18390	1.8
289.15857	12.2
289.19421	3.0
290.16525	2.6
291.17380	8.0
292.18112	1.7
293.19034	1.3
293.59311	1.1
297.16055	1.7
298.17038	1.3
299.17853	1.9
300.15277	1.2
300.18683	1.8
301.15802	3.4
301.19400	1.4
303.17398	13.0
303.20670	2.1
304.18097	3.9
305.18964	28.5
306.19583	2.1
307.20398	5.2
308.20792	1.6
311.17749	1.5
312.15027	1.2
313.15933	2.1
313.19370	4.3
315.17276	2.8
315.20959	1.7
316.18112	1.5
317.18909	6.9
318.19568	1.7
319.20474	3.5
327.17465	1.9
327.21021	1.3
328.21774	1.6
329.18912	3.7
329.22641	1.9
331.17291	1.1
331.20532	25.9
332.21060	3.1
333.22055	11.5
335.23691	5.8
341.18835	1.7
343.20578	1.8
345.22110	6.9
346.22787	9.3
347.19891	1.9
347.23569	2.6
349.21497	1.9
355.20499	1.4
357.22220	2.9
359.02878	1.7
359.20270	1.3
367.20624	1.4
369.22156	2.2
371.19812	2.3
371.23807	3.4
381.25693	1.5
384.20657	1.8
385.21515	6.5
389.20892	1.4
399.27032	9.1
400.27353	1.4
402.21759	2.9
403.22607	5.0
409.25140	9.3
410.25836	1.2
417.27838	3.1
427.26324	53.7
428.26984	5.1
445.27362	100.0
446.27777	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01882	1.4
55.05511	9.5
56.03315	0.7
57.03440	0.7
57.07075	1.4
63.15551	0.8
65.03938	1.6
67.05504	11.0
69.03430	1.3
69.07070	5.2
69.11942	5.6
71.04999	1.4
72.68060	0.7
73.04778	1.1
79.05493	8.4
81.03393	1.0
81.07056	13.3
82.07394	1.0
83.04989	16.8
83.08625	3.4
85.06541	1.2
91.05463	12.9
93.07047	16.6
95.04966	4.1
95.08612	16.8
97.02904	1.0
97.06535	2.7
99.04454	1.3
103.05440	0.9
105.07037	19.7
107.08595	13.5
109.02893	1.1
109.06511	5.4
109.10165	6.7
111.04441	6.8
111.08073	3.8
113.06004	1.3
115.05492	2.2
117.07034	5.6
119.08585	17.0
121.06489	5.2
121.10152	6.4
123.08089	4.5
123.11718	1.7
125.06004	0.9
128.06236	3.1
129.07033	6.5
130.07813	0.8
131.08566	11.3
133.06512	1.8
133.10152	13.0
135.08061	10.2
135.11681	3.8
137.05988	1.2
137.09686	0.8
139.07570	1.3
141.06990	4.8
142.07796	6.9
143.08563	11.4
144.09291	1.3
145.06528	2.9
145.10123	16.1
146.07246	1.7
147.08044	4.6
147.11684	5.9
149.09634	3.5
150.33943	0.8
152.06259	1.0
153.07057	1.5
154.07762	1.6
155.08557	10.0
156.09355	5.0
157.06520	2.0
157.10143	16.2
158.07179	1.1
158.10962	1.6
159.08037	6.7
159.11711	10.3
160.12077	0.8
161.09605	9.4
161.13289	3.3
163.11189	4.9
165.06941	4.4
166.07822	1.2
167.05566	1.1
167.08569	5.9
168.09344	2.7
169.06453	1.9
169.10143	13.0
170.10860	2.5
171.08072	5.0
171.11684	12.5
172.08882	1.1
173.09605	7.4
173.13277	4.9
175.11189	7.3
178.07759	1.7
179.08582	5.5
180.09422	3.0
181.06432	1.1
181.10112	9.4
182.10800	4.7
183.08139	3.0
183.11696	11.6
184.08878	2.0
184.12334	1.1
185.09628	16.2
185.13234	5.2
186.10236	1.4
187.11195	6.4
187.14833	2.2
189.12711	5.9
190.20648	0.8
191.08568	1.8
191.10698	1.7
192.09311	2.9
193.10135	10.0
194.10858	4.8
195.08051	2.2
195.11705	11.4
196.08963	1.3
196.12401	2.9
197.09648	3.6
197.13306	6.6
198.10455	1.2
199.11185	14.5
199.14880	2.9
201.12749	7.8
203.08598	1.6
203.10606	1.1
204.09427	1.0
205.10139	6.1
205.12042	1.4
206.10977	4.4
207.08086	1.2
207.11708	12.8
207.13661	1.9
208.08833	1.2
208.12418	3.6
209.09647	5.1
209.13234	9.2
210.10361	3.1
210.14014	1.6
211.11205	5.6
211.14833	5.8
212.11899	1.2
213.12793	5.0
215.14365	3.5
216.09366	1.5
217.10297	3.8
217.12160	1.3
218.10930	3.3
219.08064	1.6
219.11705	9.0
220.12381	3.9
221.09705	3.6
221.13229	11.0
222.10480	1.8
222.13966	2.8
223.11241	5.3
223.14746	6.3
224.11937	1.4
224.15331	1.3
225.12766	8.1
225.16423	3.5
227.14330	6.4
229.10187	2.8
229.15924	5.2
230.10988	1.0
231.11703	6.3
231.13800	1.3
232.12396	3.9
233.09697	2.0
233.13257	8.8
234.10355	1.7
234.14044	3.2
235.11223	5.9
235.14803	7.8
236.11832	4.3
236.15398	1.1
237.12746	7.7
237.16356	5.1
238.13364	2.6
239.14264	7.6
241.15926	2.8
242.11023	1.3
243.11676	3.1
243.13847	1.5
244.12552	3.1
245.09711	1.2
245.13272	4.4
245.15356	1.9
246.14063	4.1
247.11230	3.4
247.14824	8.2
247.16867	1.1
248.11961	3.0
248.15553	2.9
249.12711	7.3
249.16437	6.7
250.13580	1.8
251.14301	10.5
251.17984	1.4
253.12291	0.8
253.12801	0.9
253.15851	18.5
254.16275	1.0
255.11662	1.6
255.17567	2.2
257.13272	3.9
258.13950	2.0
259.14798	5.2
260.12024	1.7
260.15640	3.1
261.12854	5.0
261.16306	8.7
262.13531	3.1
262.17004	2.1
263.14316	9.0
263.17810	4.1
264.15009	1.5
265.15869	9.3
266.16214	1.7
267.17548	3.3
269.13132	1.3
271.14804	3.9
272.12131	1.0
272.15543	2.1
273.12988	1.9
273.16437	5.1
274.13626	1.7
274.17136	2.3
275.14517	5.7
275.17993	4.8
276.15015	2.8
276.18704	1.0
277.15872	19.3
277.19333	2.2
278.16415	2.0
279.14349	0.8
279.17447	23.2
279.20389	1.8
280.17877	1.8
281.18979	2.3
283.14600	1.8
283.17407	1.1
285.12997	1.0
285.16238	2.2
286.17261	1.5
287.14389	2.3
287.17969	4.4
288.15106	1.7
288.18420	1.9
289.15891	7.6
289.19580	3.7
290.16669	2.1
291.14240	1.1
291.17365	9.9
293.19061	1.5
295.16992	2.3
297.18784	1.3
299.14618	1.2
299.17874	2.1
300.18445	1.0
301.15915	3.0
301.19421	1.7
302.16669	1.3
303.17438	6.9
303.21161	4.7
304.18210	3.6
305.15552	1.8
305.18970	16.9
306.19550	3.5
307.17310	1.8
307.20563	4.2
311.17999	1.4
312.14697	0.8
313.15982	1.8
313.19601	2.6
315.17447	2.6
315.21188	2.5
317.19052	5.1
318.19604	1.7
318.23199	1.3
319.20627	3.5
325.15967	1.3
325.19531	1.6
327.17621	1.3
329.15479	1.2
329.19046	3.5
330.19476	1.2
331.16968	1.4
331.20618	11.6
332.21133	1.7
333.21918	4.0
334.22772	1.1
335.23553	1.6
343.16833	1.5
343.20447	4.0
344.21268	1.4
345.18536	1.6
345.22070	5.4
346.22882	10.7
347.16385	1.2
347.23584	2.5
349.21701	1.6
357.18210	1.5
357.22122	2.4
359.20261	1.2
361.21790	1.3
369.18396	1.1
371.19803	1.9
371.23743	2.2
385.21310	5.4
389.21136	1.5
399.26950	11.5
400.27228	1.5
403.21915	4.4
403.27274	1.1
404.23129	1.0
409.25320	6.7
417.28033	3.6
427.26364	35.9
428.26730	5.3
429.30090	1.4
430.25165	1.2
445.27429	100.0
446.27850	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3311
Annotation	Gibberoketosterol B
Peak:m/z	Relative Intensity
50.98862	0.3
53.00296	0.3
53.03941	0.9
55.01862	0.4
55.05510	7.2
57.03422	0.8
57.07076	2.9
59.04985	0.9
65.03924	0.8
67.01865	1.3
67.05504	9.1
69.02856	0.3
69.03405	0.6
69.07070	10.0
69.17990	1.5
69.18414	0.9
69.72127	0.3
71.04596	0.5
71.04992	6.7
71.08621	1.1
71.85568	0.4
79.05486	3.0
81.07056	19.3
82.07379	0.5
83.01341	0.6
83.04988	1.8
83.08616	5.3
85.02879	0.6
85.06533	0.5
85.10189	0.5
91.05469	3.8
93.07040	7.8
95.04963	1.3
95.08603	20.7
97.06512	0.4
97.10168	2.2
98.22622	0.6
99.08093	2.4
100.23280	0.4
105.07015	2.8
107.08588	3.3
109.06524	3.9
109.10155	12.8
110.07262	0.7
111.04452	0.4
111.08065	0.7
111.11712	1.2
113.09630	0.4
117.06979	0.5
119.04897	0.4
119.08582	2.8
121.06513	2.4
121.10126	2.4
123.04428	0.6
123.08080	2.2
123.11705	9.8
125.13254	0.6
127.11153	2.2
128.06154	0.4
131.08540	1.1
133.06464	0.7
133.10156	1.9
135.08043	2.6
135.11678	2.0
137.05969	10.0
137.09627	0.9
137.13255	5.7
138.06754	3.8
139.03879	0.8
139.07524	3.8
141.12727	1.0
142.07811	0.5
143.08586	0.9
145.10135	0.7
146.07201	0.5
147.08022	2.4
147.11684	1.2
149.05980	4.7
149.09596	1.3
149.13264	1.7
151.07539	27.8
151.14798	1.4
152.07938	0.9
153.05544	1.7
153.12727	0.7
154.06262	0.6
155.14244	0.5
157.10136	1.1
159.08020	1.5
159.11696	0.5
160.08792	0.8
161.05972	3.5
161.09628	2.4
161.13255	0.6
163.07532	0.9
163.14821	1.4
165.05481	15.2
165.09111	11.4
165.16353	0.7
166.06253	8.1
167.07033	100.0
168.07404	3.5
169.08571	0.7
171.08099	0.4
171.11693	1.0
173.09627	1.2
174.06737	0.9
175.07541	6.0
175.11182	2.9
175.14908	0.4
177.09111	4.0
177.16351	0.7
179.07031	2.2
179.10632	2.5
179.17958	0.6
181.08612	2.5
185.09616	2.3
187.11142	0.9
188.08391	2.5
189.09099	19.7
189.12704	1.5
190.09431	1.1
191.07016	1.1
191.10672	2.4
191.17886	0.8
192.07747	0.7
193.08612	5.1
193.19571	0.5
195.10139	0.6
199.11136	1.6
201.12677	0.4
202.09947	0.5
203.10663	13.1
204.11018	0.8
205.08580	1.2
205.12180	2.3
205.19505	0.8
207.08386	0.7
207.10168	8.2
207.11975	0.7
208.10558	0.4
211.20567	0.5
213.12767	0.4
215.10725	0.6
217.12227	5.9
219.10117	0.8
221.11719	1.8
225.22189	0.5
231.13773	2.7
235.13312	2.0
245.15317	0.7
249.14700	0.7
249.79785	0.4
259.17090	0.5
273.18597	0.4
281.28406	2.0
291.19641	0.4
291.26764	0.8
305.28418	1.2
321.20432	0.5
359.25656	0.3
371.25690	0.7
399.32596	0.9
409.31033	2.4
427.32071	25.7
428.32465	3.2
445.33066	20.7
446.28180	0.6
446.33755	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.05514	11.4
57.03451	1.1
57.07075	5.6
65.03923	0.8
67.01855	1.9
67.05180	1.2
67.05505	17.3
68.42596	0.7
69.06721	1.2
69.07070	14.4
69.38333	1.7
69.38727	3.9
71.04971	1.2
71.08622	3.2
79.05493	6.6
81.07059	53.2
82.07384	0.8
83.04980	3.8
83.08630	6.3
85.02890	0.9
85.06574	0.8
85.10171	1.2
91.05476	4.4
93.07052	10.4
93.87004	0.7
95.04971	1.3
95.08608	31.9
97.06525	0.7
97.10177	5.4
105.07024	3.9
107.08597	4.3
109.06519	3.3
109.10157	20.9
111.08068	0.9
111.11696	2.7
117.07050	1.0
119.08572	3.9
121.06496	2.5
121.10142	3.2
123.08076	4.1
123.11711	11.9
125.05938	0.8
131.08568	2.1
131.47353	0.7
133.06468	1.2
133.10123	1.8
135.08038	2.1
135.11684	1.7
137.05968	17.1
137.09613	0.8
137.13272	5.8
138.06772	2.4
139.03889	1.7
139.07558	5.6
141.05496	0.8
147.08051	3.6
149.06010	5.5
149.09618	1.3
149.13289	2.2
151.07542	39.3
151.14816	2.0
152.07883	0.9
157.10094	1.4
159.08063	2.6
161.06007	4.6
161.09602	2.0
161.13216	1.2
163.07481	2.0
163.14845	1.0
165.05478	10.8
165.09138	10.4
165.16319	0.8
166.06256	2.0
167.07042	100.0
168.07378	3.0
172.31679	0.9
173.09618	3.1
175.07549	4.7
175.11179	1.1
176.08153	0.9
177.09157	4.8
177.16397	1.0
179.07018	5.1
179.10689	2.7
181.08594	3.1
185.09766	1.6
188.08296	1.3
189.09113	11.6
189.12708	1.3
191.07018	3.4
191.10706	2.6
192.07747	1.6
193.08585	7.2
194.09233	0.9
195.10162	1.0
199.11259	1.0
202.09850	0.9
203.10640	7.3
205.08539	3.6
205.12195	1.6
207.10167	8.8
215.10803	0.9
217.12241	3.8
219.10187	2.4
221.11618	4.4
231.13814	2.3
233.11612	1.6
235.13306	2.5
249.14821	1.2
280.06549	0.8
347.25754	0.9
386.65588	0.8
399.32675	2.1
409.31274	1.0
417.33511	0.9
427.32019	6.5
433.40527	0.7
445.33163	10.9
446.33514	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.0
53.96136	0.9
55.01891	1.3
55.05510	11.7
57.07077	6.9
63.26520	0.8
67.01878	1.9
67.05507	13.1
68.99485	1.6
68.99881	6.2
69.07070	12.8
71.04991	2.5
71.08635	2.2
73.00065	0.9
79.05497	6.5
81.07056	38.4
83.01357	1.0
83.04984	2.5
83.08621	7.1
85.06555	2.4
91.05479	5.4
93.07040	12.4
95.04971	3.6
95.08604	31.4
97.10152	4.7
99.08069	1.1
105.07030	4.3
107.08569	4.5
109.06532	5.3
109.10149	17.1
110.07321	1.8
110.10497	0.9
111.04510	1.1
111.08090	2.1
111.11716	2.2
119.08583	3.8
121.06532	2.4
121.10172	2.2
123.04440	1.7
123.08012	4.1
123.11708	12.9
131.08600	1.9
133.10152	2.7
135.08070	2.2
135.11690	2.6
137.05977	14.2
137.09627	1.6
137.13248	5.5
138.06773	11.6
139.03906	1.3
139.07538	6.3
143.08597	1.1
145.10143	1.8
147.08064	2.2
147.11719	1.8
149.06001	6.6
149.09634	2.0
149.13290	2.6
151.07536	32.8
151.14850	2.1
152.07986	1.0
153.05426	1.1
154.06325	0.8
157.10184	1.5
159.08084	2.0
159.11761	1.4
161.06015	2.8
161.09628	2.7
161.13211	1.1
163.07574	1.7
163.14923	1.3
165.05489	11.8
165.06877	1.1
165.09117	9.7
166.06255	24.4
167.07037	100.0
168.07449	3.0
171.08051	0.8
171.11681	1.1
174.06735	1.4
175.07541	5.1
175.11191	2.6
177.09152	3.9
177.16432	0.8
179.06998	4.1
179.10677	1.9
181.08633	3.3
185.09715	1.7
188.08374	1.2
189.09102	12.7
189.12819	2.1
191.07097	2.0
191.10739	3.5
192.07881	1.0
193.08609	4.9
195.10217	1.0
199.11264	1.4
201.09074	1.1
202.09898	1.1
203.10681	7.4
205.08656	2.9
205.12300	2.3
207.10161	8.7
217.12187	4.4
219.10223	1.2
221.11749	2.8
231.13770	1.8
235.13217	1.5
247.13377	1.1
273.18420	0.9
296.38428	0.8
399.32617	1.6
409.31189	1.0
427.31900	13.7
428.32736	1.1
445.27319	3.3
445.33163	14.7
446.33859	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
54.23349	0.9
55.05510	12.4
57.07077	7.1
65.03946	1.5
65.13345	0.9
67.01868	2.0
67.05503	17.8
69.03400	0.9
69.07068	14.6
69.93105	2.3
69.93503	2.0
71.04993	1.5
71.08629	2.9
77.03964	0.9
79.05498	7.2
81.07057	49.5
82.07381	1.4
83.04967	3.2
83.08616	7.2
85.06564	1.1
85.10194	1.6
91.05473	4.3
93.07047	11.5
95.04961	3.5
95.08609	32.0
97.06516	1.3
97.10187	5.7
97.69921	0.9
98.22687	1.2
98.23258	2.0
100.71997	0.9
105.07016	3.1
107.08595	4.8
109.06530	4.8
109.10157	19.6
110.07284	2.5
111.04511	1.3
111.11708	2.5
118.93495	0.9
119.04948	1.5
119.08585	4.2
121.06484	4.2
121.10124	2.8
123.04474	1.1
123.08065	4.2
123.11694	13.2
128.18286	1.0
131.08565	2.5
133.06497	1.4
133.10089	3.2
135.08035	3.4
135.11691	2.1
137.05965	12.6
137.09628	2.7
137.13264	5.4
138.06755	9.6
139.03893	1.6
139.07578	4.9
141.05513	1.1
143.08594	1.4
145.10146	1.2
147.08051	3.2
147.11810	1.1
149.05925	4.9
149.09541	2.1
149.13214	1.5
151.07539	37.0
151.14828	1.5
154.06232	1.4
157.10062	1.1
159.08022	1.5
159.11728	1.2
161.05983	5.2
161.09607	2.8
161.13235	1.4
163.07541	1.7
163.11172	1.6
163.14783	1.5
164.08357	1.5
165.05493	8.8
165.09119	20.2
166.06258	27.6
167.07037	100.0
168.07368	2.8
171.11635	0.9
173.09622	1.6
174.06775	1.2
175.07547	6.3
175.11200	1.8
177.09102	4.2
179.07031	2.5
179.10635	3.3
181.08620	3.0
185.09544	1.4
187.11276	1.1
188.08247	1.7
189.09088	12.0
189.12697	1.6
191.06981	2.7
191.10725	3.1
192.07846	0.9
193.08591	6.7
193.12172	1.2
195.10205	1.1
199.11232	1.4
201.12683	1.1
203.10727	6.5
205.08556	2.3
205.12274	2.8
207.10124	9.5
207.11726	1.3
217.12259	4.3
219.10069	1.1
219.13893	1.2
221.11780	4.3
231.13736	2.0
233.11633	1.2
235.13298	1.9
249.12497	1.1
305.18790	1.6
367.51135	0.9
386.15280	1.2
387.15985	2.7
399.32397	2.1
401.17526	2.2
402.18134	1.2
415.15369	2.8
427.31866	6.8
428.36740	2.2
429.16949	1.8
430.17770	3.3
431.18127	1.0
445.20132	30.9
445.27011	5.5
445.32758	17.0
446.20755	9.9
446.27890	1.8
446.33746	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01877	0.8
55.05510	8.1
57.03420	0.8
57.07082	4.6
59.36715	0.4
65.03930	0.5
67.01855	1.3
67.05506	11.1
69.03442	0.7
69.07069	11.5
69.14361	3.8
71.05002	3.4
71.08626	2.0
76.43967	0.5
79.05490	3.5
81.07055	27.6
83.04990	2.2
83.08607	5.5
85.02899	1.0
85.06546	5.0
85.10175	0.8
86.02004	0.4
91.05467	3.4
93.07041	9.6
95.08606	26.2
97.10169	3.6
99.08080	1.9
103.78574	0.5
105.07031	3.2
107.08590	4.1
109.06516	3.3
109.10163	14.2
111.04430	0.7
111.09339	0.6
111.11732	1.9
113.86156	0.5
117.07063	0.7
119.04939	0.5
119.08562	2.5
121.06534	2.2
121.10165	2.4
123.08078	2.9
123.11702	9.6
125.13251	0.8
127.11156	1.0
129.06995	0.6
131.08542	1.2
133.06482	1.3
133.10149	1.8
135.08038	2.4
135.11670	1.9
135.61812	0.5
137.05975	9.6
137.09587	0.7
137.13249	7.0
139.07552	4.9
141.05434	0.8
142.07785	0.7
143.08565	1.2
145.06538	0.6
145.10117	0.9
146.07249	0.4
147.07997	2.3
147.11716	1.0
149.05968	4.7
149.09589	1.5
149.13242	1.8
151.07539	25.2
151.14803	1.9
153.05444	1.2
157.10176	1.1
159.08046	1.7
160.08832	0.5
161.05978	3.2
161.09627	1.3
161.13243	0.9
163.07530	0.9
163.14816	1.3
165.05467	12.6
165.09125	7.3
165.16348	1.3
167.07034	100.0
168.07338	3.0
171.11673	1.1
173.09596	1.0
174.06767	0.5
175.07553	4.4
175.11169	2.0
177.05486	0.7
177.09125	4.1
177.16393	0.9
179.07039	2.8
179.10672	2.5
179.17932	0.6
181.08629	2.9
181.09932	0.5
185.09637	2.0
187.11185	0.7
188.08350	1.3
189.09088	15.2
189.12741	1.5
189.61354	0.4
190.09567	0.7
191.07060	2.2
191.10718	1.6
191.17976	0.5
192.07736	0.9
193.08624	3.7
195.10222	0.8
197.18974	0.5
199.11163	1.5
201.12746	0.7
202.09801	1.0
202.16719	0.5
203.10643	9.1
205.08565	2.9
205.12267	2.0
207.04169	0.5
207.10152	8.5
207.11963	0.7
207.13844	0.5
215.10663	0.9
217.12207	3.8
219.10112	1.6
219.13896	0.6
221.11711	2.7
229.12041	0.7
231.13794	1.8
233.11760	1.1
233.15392	0.6
235.13205	1.3
245.15331	1.0
247.13220	0.9
253.15714	0.6
281.28287	0.9
291.19611	1.1
291.26752	0.5
305.28067	0.5
399.32489	0.9
409.30920	1.5
417.33417	0.6
426.54297	0.5
427.26846	0.8
427.32034	15.4
428.32269	1.3
445.27368	1.3
445.33069	12.9
446.33401	1.6
446.39456	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.4
55.01874	3.6
55.05511	27.5
57.03430	1.7
57.07071	13.6
59.05004	1.7
65.03955	1.5
67.05503	31.1
69.03417	3.5
69.07070	44.9
71.04993	6.1
71.08633	5.1
73.06561	7.0
79.05499	17.8
81.06581	3.5
81.07056	58.4
83.04979	11.1
83.08614	23.1
85.06551	7.7
85.10198	4.8
91.05460	23.3
92.05840	2.1
93.07044	48.3
94.07379	1.9
95.04980	3.5
95.08608	68.8
96.08967	2.1
97.06528	6.3
97.10163	14.5
99.04488	2.5
99.08135	3.1
105.04488	2.0
105.07036	33.2
107.04969	2.8
107.08592	53.7
108.08976	1.9
109.06516	11.1
109.10158	41.7
111.04460	6.1
111.08061	3.6
111.11716	5.6
115.07581	4.8
117.07032	5.7
119.04987	1.9
119.08578	39.6
121.06547	8.6
121.10147	49.3
123.08101	9.7
123.11717	22.5
125.06063	2.0
125.09660	4.5
129.07018	4.8
131.08594	13.9
133.06482	5.1
133.10117	35.1
135.08046	11.0
135.11693	33.2
137.06007	13.8
137.09624	10.5
137.13258	11.7
139.03926	11.1
139.07553	14.4
143.08580	6.8
145.10118	17.0
147.08026	8.9
147.11691	32.7
147.12761	3.1
149.05998	8.4
149.09654	9.4
149.13275	11.9
150.30717	1.9
151.07552	27.8
151.11174	3.4
151.14886	2.7
152.07921	1.7
153.05472	7.3
153.09125	5.9
153.12761	2.2
155.08604	3.2
156.09399	2.2
157.10110	9.7
158.10866	1.6
159.08089	3.0
159.11684	13.4
161.05986	4.4
161.09586	9.9
161.13248	13.4
162.22028	1.6
163.03922	3.9
163.07597	3.7
163.11185	17.5
163.14844	5.2
165.05489	15.3
165.09117	80.0
165.12770	2.7
165.16371	1.9
166.09421	2.6
167.07048	100.0
167.10716	4.7
168.07430	7.7
169.07530	2.4
169.10068	1.8
171.08070	1.7
171.11713	6.4
173.09607	5.8
173.13258	6.9
174.06726	1.9
175.07602	6.7
175.11188	11.1
175.14810	8.3
177.09108	4.7
177.12721	13.6
177.16341	3.7
179.06981	2.9
179.10730	7.2
179.17923	1.9
181.04962	24.9
181.08604	5.6
181.12286	10.9
182.05437	2.4
183.06599	1.6
183.11670	2.0
185.09641	4.6
185.13316	5.4
187.11205	3.8
187.14828	4.6
189.09113	18.1
189.12717	10.9
189.16394	4.0
191.07008	3.8
191.10721	2.4
191.14322	4.8
193.08586	4.1
193.12288	4.3
195.12018	2.5
195.13840	10.3
199.11163	5.4
199.14856	2.2
201.12674	2.1
201.16391	3.5
203.10614	12.6
203.14340	5.6
205.08548	7.9
205.12253	3.7
207.10054	8.5
207.13820	3.9
209.15302	11.6
213.12781	2.8
213.16504	2.5
215.14336	2.9
217.12241	4.9
217.15891	3.2
219.10190	3.4
221.11662	3.9
221.15227	11.3
223.16927	4.7
227.14412	4.1
231.10188	2.3
231.13828	3.2
231.17493	3.5
235.16891	8.5
241.15723	2.2
249.18529	6.3
251.14375	2.2
259.16946	1.8
263.20184	2.2
289.21585	1.9
333.20645	1.9
376.03030	1.8
377.28247	4.7
389.26193	2.0
395.29453	9.7
399.32672	4.4
409.30914	7.5
413.30606	2.6
427.26306	2.5
427.31918	32.2
428.32425	3.7
445.27451	7.4
445.32938	23.6
446.33405	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
54.76329	0.7
55.01892	1.0
55.05512	9.5
57.07076	3.3
64.24950	0.7
65.03950	1.4
67.01885	1.1
67.05505	14.3
69.03432	1.5
69.07069	16.1
70.45161	0.9
70.45493	1.7
71.08639	1.2
78.24899	0.7
79.05492	6.6
81.03433	0.9
81.06579	1.7
81.07060	35.8
83.04983	6.7
83.08646	5.4
91.05464	7.5
93.07052	15.7
95.04990	3.0
95.08609	31.4
97.06529	1.8
97.10149	3.9
99.08115	0.8
105.04513	0.9
105.07021	8.3
105.07558	0.7
107.08598	9.3
109.06528	5.4
109.10155	15.1
110.10487	0.8
111.04465	2.4
111.08105	3.6
111.11731	2.7
115.05473	1.7
117.07052	2.8
119.04940	1.0
119.08594	9.9
121.06506	5.6
121.10178	4.4
123.08088	4.1
123.11710	7.7
125.13269	0.9
128.06252	0.9
129.07031	2.6
131.08557	4.5
133.06552	1.9
133.10114	5.1
135.08067	4.6
135.11699	3.4
137.05983	5.3
137.13249	6.9
139.07547	6.3
141.05515	2.9
141.07027	2.2
142.07813	3.5
143.08594	5.6
145.06560	1.0
145.10097	4.6
147.08052	3.9
147.11725	2.6
149.06027	4.8
149.09680	2.2
149.13310	1.5
151.07539	9.4
151.14867	2.1
154.07764	1.1
155.08543	4.9
156.09340	1.6
157.06534	3.6
157.10185	6.2
159.08075	3.4
159.11690	3.8
161.06003	1.6
161.09633	5.2
161.13284	2.6
163.11226	2.3
163.14868	1.4
165.05527	4.3
165.07043	2.8
165.09174	2.7
166.07787	1.4
167.07045	100.0
168.07404	3.3
169.10161	4.4
171.08066	1.1
171.11719	3.8
172.08846	1.2
173.09682	2.0
175.07579	1.4
175.11259	3.1
177.09129	1.6
178.06316	1.1
178.07835	0.9
179.07152	1.7
179.08606	4.3
179.10670	1.5
180.09372	1.5
181.06470	1.0
181.08679	1.7
181.10167	5.2
182.10944	1.0
183.08141	2.2
183.11739	3.8
184.08905	1.0
185.09628	2.4
185.13300	1.6
187.11229	2.9
189.09157	2.6
189.12791	2.8
191.07043	2.4
191.08598	1.8
191.10799	1.4
192.09377	1.9
193.08586	2.4
193.10194	5.5
194.07329	2.3
194.10945	1.4
195.08031	4.2
195.10045	0.7
195.11774	3.5
197.09601	4.8
197.13318	1.4
199.11198	7.1
201.12732	1.4
203.08601	1.4
203.10800	1.5
205.08635	2.3
205.10219	3.3
205.12111	1.7
205.19560	1.0
206.10971	2.6
207.08022	2.8
207.10184	4.9
207.11890	5.5
208.08850	3.4
208.12454	1.5
209.09612	8.3
209.13319	2.8
210.10205	1.1
211.11208	2.1
213.12814	2.2
215.08681	1.5
215.10759	2.3
215.48604	0.8
217.10237	2.2
218.10881	1.8
219.08150	2.3
219.10013	1.5
219.11877	1.8
220.08942	1.2
220.12561	1.4
221.09720	6.0
221.11394	1.2
221.13383	6.7
222.10410	2.1
222.14041	1.3
223.11203	4.6
223.14873	2.8
224.11905	1.0
225.12767	2.6
227.14294	1.3
229.10243	1.1
229.12387	1.0
231.11769	2.7
232.08868	1.3
232.12503	1.7
233.09634	2.8
233.13344	3.0
234.10390	1.7
234.13924	1.0
235.11250	3.4
235.14883	2.6
236.11993	2.4
237.12761	3.7
238.13383	1.2
239.14252	3.9
243.11681	1.3
245.09610	1.3
245.13303	2.2
246.10414	2.7
247.11198	4.7
247.15002	2.6
248.12102	2.5
248.15552	1.8
249.12718	6.7
249.16544	1.4
250.13565	0.8
251.14316	17.4
252.14891	1.6
253.15874	1.4
257.13251	1.5
259.14825	1.6
260.12085	1.3
261.12802	3.1
261.16745	2.0
262.13629	2.5
263.14374	7.7
263.17993	1.9
264.14743	1.2
265.15857	9.4
267.17584	1.0
273.12753	1.7
273.16510	1.9
274.13550	0.9
275.14377	2.5
275.17926	1.3
276.14975	1.2
277.15787	6.4
277.18533	1.0
287.17874	1.2
288.15219	1.5
289.15933	4.3
289.19418	1.7
290.16714	1.1
291.17163	5.0
293.19000	0.9
303.17554	2.9
304.18112	1.0
305.18997	22.4
305.22333	1.4
306.19608	2.9
307.20557	2.0
317.18936	1.1
328.18375	1.0
329.18851	1.3
331.20505	6.8
332.21454	0.8
346.23038	2.7
371.25601	1.2
385.25583	1.3
389.21140	1.0
399.26999	2.4
403.22385	1.8
409.25281	1.6
417.27969	3.3
427.26410	7.0
427.32233	7.6
428.26981	1.6
445.27484	61.5
445.33139	7.3
446.27884	9.1
446.33594	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18361	0.4
53.03938	1.4
55.01875	0.7
55.05270	0.6
55.05515	8.8
57.03429	0.7
57.06792	0.8
57.07075	13.1
59.04970	0.5
63.28630	0.5
65.03934	1.3
66.62727	0.4
67.01864	1.9
67.05508	13.2
67.53375	0.4
69.03443	1.0
69.07068	15.2
71.08636	3.9
71.31573	0.4
73.04749	0.4
79.05491	7.2
81.07056	46.8
82.07369	0.7
83.01336	0.7
83.04969	2.1
83.08620	7.1
85.02895	0.8
85.06543	15.1
85.10198	0.7
88.77695	0.4
91.05459	5.4
93.07047	13.4
95.04971	1.8
95.08604	29.2
96.08908	0.9
97.06541	0.9
97.10165	5.2
99.08088	2.3
105.04542	0.7
105.07028	4.2
107.04980	0.4
107.08592	6.0
109.06538	5.0
109.10152	13.5
111.04424	0.9
111.08080	1.5
111.11709	2.0
113.29494	0.4
117.07008	1.3
119.04886	0.5
119.08582	4.5
120.06204	0.4
121.06538	2.3
121.10138	4.1
123.08096	2.0
123.11708	8.0
125.05990	0.6
125.09617	0.5
127.11249	0.6
129.06982	0.9
130.07614	0.4
131.08575	2.4
133.06499	1.0
133.10077	2.8
135.08080	2.9
135.11685	3.0
137.05968	9.3
137.09599	0.7
137.13263	8.7
139.03905	1.5
139.07536	4.6
141.05498	2.3
142.07767	0.5
143.08524	2.0
145.06525	0.9
145.10155	1.8
147.08041	2.2
147.11716	2.0
149.05975	4.7
149.09650	1.3
149.13257	2.3
151.07544	17.0
151.11186	0.5
151.14828	2.6
152.07881	0.6
153.05469	1.5
155.08563	0.9
155.14297	0.6
156.09344	0.9
157.06453	0.6
157.10167	2.1
159.08032	1.9
159.11703	1.5
160.08833	0.6
161.06001	2.2
161.09598	2.6
161.13234	1.3
163.07538	1.1
163.11217	0.9
163.14830	0.9
165.05486	16.1
165.09105	5.1
165.16359	0.8
166.05789	0.6
166.09424	0.6
167.07037	100.0
168.07402	3.0
169.10097	1.0
171.11667	1.3
173.09604	1.2
173.13268	0.8
174.06743	0.6
175.07587	3.3
175.11205	1.3
175.14838	1.2
177.05515	0.6
177.09109	3.5
177.16382	0.8
178.06181	0.7
179.06996	1.9
179.08472	0.7
179.10652	1.5
179.17972	0.5
180.48872	0.4
181.04961	1.2
181.08586	2.0
181.10023	0.7
183.11717	0.9
185.09621	1.5
187.07584	0.6
187.11212	1.8
188.08339	0.8
189.09111	11.1
189.12717	1.5
191.07066	3.5
191.10612	2.2
192.03320	0.4
192.07820	0.9
193.08611	3.3
193.10101	0.6
193.12221	0.7
193.19530	0.8
195.11732	0.7
197.09602	0.6
197.13277	0.9
198.75323	0.4
199.11221	1.5
201.09077	0.8
201.12752	1.5
203.10669	5.8
203.18016	0.5
205.08598	4.5
205.12227	1.8
205.19533	0.6
206.09311	0.5
207.10147	5.8
207.13794	0.5
207.21123	0.5
209.09634	0.9
211.11165	0.5
213.12788	0.8
215.08739	0.5
215.10681	1.7
217.12233	3.2
219.10143	1.9
219.11951	0.5
219.13748	0.6
221.11510	2.0
223.11174	0.6
229.12248	0.6
231.13803	1.0
233.11661	1.1
235.13315	0.7
237.12569	0.6
245.15459	0.6
247.13297	1.2
249.12686	0.7
251.14326	0.9
253.15979	0.4
257.15442	0.9
259.16876	0.5
261.12616	0.6
263.14343	1.1
265.15826	0.8
275.16696	0.6
277.15564	0.8
293.17523	1.6
297.18610	0.5
305.18918	1.6
313.19418	0.5
337.69247	0.5
353.24963	0.6
359.02768	0.6
371.25851	1.3
399.32709	0.7
409.30966	0.9
417.27893	0.7
427.26624	1.1
427.31979	10.1
428.32007	0.8
445.27347	4.6
445.33124	8.5
446.27734	1.0
446.33218	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	11.8
57.07079	8.7
65.71063	1.8
66.02042	1.7
67.05505	8.5
69.07072	24.2
69.12871	18.3
71.08616	5.0
78.76823	1.9
79.05510	3.6
81.07053	11.6
81.33421	1.7
83.08616	9.7
85.42988	1.8
92.25157	2.0
93.07061	4.9
95.08601	11.3
97.10178	4.7
105.07008	2.4
107.08585	4.8
109.10175	7.7
111.11718	2.4
116.70444	1.8
117.48555	1.9
119.08607	3.8
121.10186	3.3
133.10190	1.9
135.08070	3.3
137.09615	10.0
145.10126	4.1
149.09584	10.3
157.10100	2.4
159.11647	3.0
163.11299	4.5
165.09128	100.0
166.09360	2.4
167.05525	2.0
167.07162	2.4
173.13541	2.2
175.11229	3.1
177.09132	4.0
191.10725	6.8
203.10695	5.3
205.12254	9.2
305.19443	2.0
340.67734	2.3
378.46616	2.2
402.18411	2.1
416.16699	2.4
427.35617	7.3
429.17200	3.0
445.20197	23.5
445.27188	6.4
445.37000	2.2
446.20822	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.8
55.05515	37.1
57.03439	4.3
57.07080	20.4
59.32634	2.2
62.70249	2.3
67.05509	33.7
69.03429	3.4
69.07070	52.4
69.17072	17.6
71.04987	5.4
71.08631	8.9
73.04765	18.2
79.05493	24.2
81.07062	71.8
81.59296	2.6
83.04985	4.9
83.08633	26.6
85.06556	11.5
85.10186	4.6
88.02218	4.4
91.05904	25.7
93.07051	46.9
95.04977	6.0
95.08614	100.0
96.08934	5.1
97.06538	13.6
97.10170	17.0
99.04458	3.1
99.08099	2.4
105.07035	36.5
107.08599	59.7
109.06519	13.6
109.10158	52.3
111.04454	4.9
111.08086	3.3
111.11739	4.8
113.09662	7.8
114.07395	4.5
117.07015	3.6
119.08587	38.0
121.06519	4.8
121.10156	54.1
122.10458	3.8
123.08084	8.2
123.11701	23.1
125.13219	3.6
127.11218	3.3
131.08597	10.9
133.06482	4.9
133.10127	37.8
135.08086	7.2
135.11685	26.4
137.05972	3.6
137.09570	5.5
137.13257	19.1
139.03909	22.8
139.07549	4.0
143.08580	5.3
145.10158	14.1
147.11713	22.5
149.04610	3.9
149.06035	3.6
149.09647	7.4
149.13257	18.8
151.07574	12.8
151.14835	3.6
153.05492	8.1
153.09128	3.5
155.14301	4.8
157.10168	7.8
159.08058	3.3
159.11739	8.9
161.09608	3.5
161.13271	15.3
163.11221	7.4
163.14848	12.3
165.01636	2.8
165.05418	4.6
165.09161	6.6
166.06355	2.9
167.05586	16.1
167.07071	42.0
167.10757	5.1
168.07317	2.6
169.08640	7.4
169.10150	4.6
171.11700	4.7
172.07997	2.4
173.13286	8.7
175.11224	9.4
175.14828	18.8
177.09273	3.8
177.16425	6.8
179.08607	3.1
179.10680	3.6
181.04962	23.4
181.10170	3.3
181.12270	6.2
183.11629	3.0
187.14851	9.9
189.09149	7.1
189.12753	6.6
189.16402	20.9
191.14288	2.5
191.18018	5.0
193.15833	2.6
195.11841	2.9
195.13867	8.6
199.14879	4.1
201.12709	3.5
201.16438	6.3
203.10742	6.8
203.17990	6.9
205.15985	4.1
207.10133	3.3
207.13771	5.0
207.17456	5.1
209.15411	3.6
215.17906	3.9
217.16006	3.4
217.19484	4.1
219.17508	4.3
221.11546	2.7
221.15334	3.6
223.16942	2.8
225.04358	7.8
226.37743	2.6
227.14189	2.6
233.19029	2.7
235.17068	3.8
249.18565	4.5
251.14413	2.9
277.15771	4.1
303.26614	3.4
305.18997	4.5
324.98602	2.9
342.99753	4.9
359.02829	26.9
385.30927	3.7
391.33606	3.0
409.34656	11.2
427.26941	3.6
427.31155	4.9
427.36606	15.3
445.27484	22.5
445.37689	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.05509	10.4
57.02445	0.7
57.07079	7.0
67.05505	7.5
69.02795	1.5
69.03194	5.3
69.07069	19.2
71.04993	0.8
71.08631	3.4
75.69913	0.7
79.05493	2.8
81.07051	14.7
83.04958	1.0
83.08615	11.7
85.06532	1.0
85.10171	1.4
91.05488	3.1
93.07039	5.7
95.04972	1.2
95.08604	11.1
97.10178	5.9
98.22636	1.8
105.07034	2.9
107.08600	4.1
109.06504	1.7
109.10154	10.2
110.07234	0.8
111.04435	0.7
111.11730	3.3
117.07005	1.1
119.08570	3.7
121.06523	2.6
121.10153	2.8
122.07304	1.7
123.08099	1.2
123.11723	4.7
131.08553	1.5
133.10156	1.3
134.50784	0.8
135.08067	3.2
135.11694	2.1
137.05998	3.1
137.09628	11.3
137.13216	2.1
138.06735	3.2
139.07544	2.2
145.10091	1.2
147.08124	0.9
147.11687	1.0
149.05945	0.9
149.09633	6.7
149.13242	0.9
151.07532	8.3
159.08041	1.1
159.11649	1.5
161.06004	1.3
161.09552	1.5
163.11142	5.4
164.08313	2.8
165.09113	100.0
166.06253	8.4
166.09348	3.5
167.07033	22.0
171.11668	1.0
173.09534	1.3
175.07556	1.9
175.11215	4.0
177.09076	5.2
177.12767	1.1
179.10625	1.7
181.08505	1.1
183.11690	0.9
185.13132	1.1
187.11119	1.8
189.09102	4.2
189.12703	1.8
190.09743	1.0
191.10663	5.8
193.10229	0.9
193.12187	0.9
199.11227	1.2
201.12825	1.4
203.10675	5.0
203.14287	2.6
205.12248	9.1
207.10152	1.4
213.12608	1.2
217.12236	2.1
219.13770	1.8
227.14427	0.9
231.13834	2.4
250.74045	0.7
301.21503	0.9
305.18900	1.2
345.27850	1.6
387.15894	1.7
399.32492	1.5
401.17780	1.3
409.34671	1.3
415.15274	3.0
416.15677	1.5
417.20889	1.4
427.36380	4.9
428.36322	4.3
429.16827	2.6
430.17609	4.3
431.18146	1.9
445.20001	35.0
445.32568	1.7
446.20520	11.6
446.32797	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.8
55.01867	5.4
55.05508	42.9
57.07080	36.5
60.21196	3.1
67.05499	42.8
69.07064	70.2
71.01356	4.9
71.08631	42.0
79.05499	34.2
81.07053	92.4
83.04942	3.6
83.08608	33.4
85.10179	28.0
89.02361	3.7
91.05467	29.5
93.07036	68.2
95.04966	5.7
95.08609	100.0
97.06553	3.1
97.10165	19.6
98.22535	6.0
99.11737	3.2
105.07022	83.3
107.08591	74.4
109.06537	7.1
109.10155	57.7
110.66795	2.9
111.04411	3.5
111.11700	21.7
113.10546	3.0
115.03924	3.1
117.06992	15.1
119.08571	65.2
121.10145	55.4
123.08062	7.1
123.11705	26.3
125.13248	4.6
129.06985	8.6
131.08571	40.8
133.10120	42.8
135.08006	5.0
135.11685	28.8
137.09647	4.6
137.13281	11.7
139.07516	5.8
141.06970	3.6
143.08569	17.4
145.10112	51.2
147.11684	40.3
149.09650	8.2
149.13234	24.6
151.07607	4.1
151.14810	8.5
153.09052	4.2
153.98296	3.6
155.07027	19.3
155.08388	5.6
157.10074	15.3
159.08107	5.2
159.11661	35.6
161.09628	8.8
161.13275	23.8
163.14815	15.7
165.09114	12.3
169.10147	3.9
169.14435	4.0
171.11667	16.9
173.09575	5.5
173.13261	16.8
175.11166	5.1
175.14891	14.1
177.09059	9.7
177.16353	4.1
179.08505	3.4
179.10759	7.1
181.10158	4.4
183.11714	8.3
185.13283	14.2
186.13919	4.2
187.14828	10.6
189.16389	12.7
191.10699	20.0
193.12300	10.5
195.11734	5.2
197.13251	4.2
199.11218	4.0
199.14885	7.6
201.16396	9.7
203.17934	13.0
205.12288	7.6
207.11771	5.1
207.13806	4.2
209.11583	3.7
209.13327	3.4
213.16417	8.8
217.19688	4.0
219.11703	3.9
219.13710	7.6
221.09625	4.4
221.13260	4.0
221.22815	5.5
227.17990	9.4
231.13753	6.2
233.15305	5.0
233.22697	9.3
245.15369	9.5
245.22670	4.3
247.24245	12.1
249.12634	6.4
251.14317	9.9
259.17136	4.9
261.25778	11.2
263.16467	4.7
273.18497	8.4
273.25650	4.5
287.20090	20.1
287.27365	8.4
305.18625	6.0
341.31949	16.5
343.33508	34.9
344.33636	3.6
367.33563	6.8
385.34625	6.3
401.52713	3.5
409.34967	4.2
427.26331	7.0
427.35672	49.8
428.35989	6.7
438.51483	3.0
445.21005	5.5
445.27319	39.2
445.36728	94.9
446.27728	6.9
446.36945	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.01871	2.2
55.05511	29.2
55.15768	1.6
57.07087	12.6
59.04992	1.8
65.03930	3.0
67.05505	41.3
69.03419	2.2
69.07066	52.2
71.05002	18.4
71.08632	5.3
71.30157	2.7
79.05495	21.5
81.07058	92.1
82.07378	5.1
83.04991	7.8
83.08620	26.4
85.06545	32.5
85.10185	2.7
91.05474	13.6
93.07048	39.2
95.04966	3.3
95.08606	100.0
96.08959	5.2
97.06532	4.1
97.10172	15.1
98.23102	1.7
99.08110	5.9
100.76947	1.8
101.09630	2.1
105.07030	20.0
107.08599	47.8
109.06496	4.3
109.10158	70.8
110.10511	2.9
111.04478	3.1
111.08106	4.5
111.11728	5.6
117.07053	3.4
119.08578	18.0
121.06549	4.6
121.10142	30.9
123.08083	5.2
123.11716	36.1
125.09645	3.2
127.11189	15.1
128.06216	2.4
129.07019	3.7
131.08571	4.4
133.10117	12.7
135.08080	4.1
135.11678	30.5
137.05978	8.5
137.09653	2.2
137.13268	19.5
138.06795	2.7
139.03925	6.7
139.07501	3.1
141.07001	3.0
141.12738	2.8
143.08560	6.0
145.10124	8.3
147.08093	2.5
147.11682	13.0
149.05995	3.3
149.09622	2.2
149.13248	27.4
151.07532	11.2
151.14847	5.6
153.05411	3.0
153.12743	4.8
155.08575	4.7
157.06517	2.3
157.10130	6.2
159.08101	2.2
159.11682	7.1
161.09639	5.8
161.13264	11.8
163.14803	18.9
165.05492	3.9
165.09128	6.0
165.16371	2.7
166.06253	5.1
166.07700	2.3
167.07048	39.6
167.08452	1.9
168.07323	1.7
169.08720	2.4
169.10091	4.3
171.08093	2.5
171.11711	3.3
173.13284	5.5
175.07616	1.9
175.14864	5.2
177.09122	2.2
177.16425	9.8
179.08562	4.1
181.04955	5.9
181.08585	2.0
181.10149	4.9
183.11765	2.2
185.09547	3.9
187.14760	3.1
189.09155	4.2
189.12712	2.6
189.16415	5.1
191.10582	2.3
191.17970	5.6
193.10141	5.0
193.15929	2.0
194.10829	2.3
195.08025	3.3
195.11752	3.4
195.17549	3.1
197.09685	3.2
197.13242	2.2
199.11220	4.2
203.08653	1.9
203.17961	6.9
205.19643	2.4
207.08163	2.7
207.09981	3.0
207.11749	4.0
207.17574	2.4
208.08914	3.8
209.09656	5.9
209.13203	4.2
211.11311	2.7
213.12770	3.8
217.19568	7.1
218.11072	1.9
219.11781	2.6
221.09674	3.4
221.13333	5.6
223.11205	2.2
223.14766	3.4
225.12814	3.4
231.21133	1.7
233.13329	3.6
234.10139	1.7
235.11169	4.0
236.11938	4.2
237.12764	2.9
239.14413	4.8
246.10252	2.7
247.11244	3.4
247.14951	3.2
248.11969	4.1
249.12796	5.4
251.14326	15.3
253.15732	2.6
261.12848	2.9
261.16409	2.7
262.13519	2.5
263.14233	6.0
265.15872	6.8
271.24313	1.7
273.16159	2.2
275.14398	3.3
277.15881	5.9
291.17505	4.8
303.17410	2.8
303.26807	3.5
305.19019	15.2
306.19485	2.4
329.18961	2.2
331.20581	3.1
346.22986	2.1
359.32993	2.8
399.27130	2.3
417.28094	3.9
427.26251	8.0
427.32025	6.1
427.38696	10.8
428.32751	2.0
445.20377	11.1
445.27328	51.1
445.33148	7.5
445.40393	5.1
446.21381	3.0
446.27625	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1778
Annotation	Tetrahydrofolate
Peak:m/z	Relative Intensity
52.04664	0.3
53.66361	0.2
57.03431	0.5
60.05636	0.7
61.02916	0.3
65.03938	1.6
68.05016	0.5
69.02834	1.0
69.03450	1.0
73.02919	1.5
73.04746	1.2
74.03251	0.2
74.04682	0.2
83.04977	0.7
83.06089	0.9
85.02906	1.5
86.06069	0.3
86.09679	0.3
91.05812	2.0
92.05007	2.8
95.04941	0.4
95.06098	0.6
96.04479	0.2
97.02886	0.8
98.22562	0.4
105.07072	0.2
110.06042	0.7
110.07173	1.4
111.04424	0.6
111.05566	3.2
111.07948	0.6
114.27631	0.2
115.03928	0.5
120.04464	100.0
121.02861	0.3
121.04814	2.4
121.06421	0.2
123.04451	0.2
127.03881	0.5
129.05458	0.2
132.04422	0.3
133.04967	0.4
135.05589	0.3
135.06657	10.8
136.07491	1.2
138.06621	28.5
139.03922	0.2
139.07423	5.2
145.03955	0.3
145.04958	0.5
146.05199	0.3
149.04570	0.4
151.06136	0.3
152.07098	0.6
162.07799	0.2
163.06142	16.6
164.06937	13.6
167.05547	0.5
168.05658	0.3
177.05507	0.6
180.08801	8.5
181.09579	15.5
182.09938	0.3
213.09033	0.7
225.04277	0.2
231.10251	0.3
240.07637	1.3
241.08421	0.6
245.08032	0.8
249.11183	0.5
257.10312	4.4
275.11417	0.5
282.09854	12.4
283.10239	0.7
284.05713	1.0
284.08997	1.4
284.11865	0.3
299.12500	6.8
300.10541	1.3
317.13528	1.3
359.02850	0.5
360.02792	1.2
361.02612	0.3
387.13217	0.2
403.33685	0.3
420.21500	0.3
428.16888	0.8
446.17938	66.5
447.18466	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.8
55.39854	1.3
55.78834	1.3
57.03437	14.5
57.95132	1.2
59.04988	1.6
61.02932	5.2
62.57604	1.2
69.03429	18.3
69.03779	2.1
69.98442	1.3
71.01347	2.4
71.04995	12.0
71.28703	1.6
73.02914	19.9
73.04761	8.2
74.60715	1.3
78.52259	1.2
81.03413	2.7
84.08143	8.8
85.02898	33.3
85.03363	2.5
85.08486	3.8
87.04480	2.1
89.06030	91.2
91.03943	2.3
91.05826	10.5
93.07041	1.8
97.02891	28.6
99.04443	3.6
100.18815	1.1
103.03934	2.1
103.05449	1.4
107.05005	1.5
109.02851	3.1
110.03526	3.0
111.50419	1.2
115.03939	15.1
117.26592	1.4
119.01881	1.5
121.06512	20.8
123.04434	2.3
127.03906	11.3
130.08652	1.8
133.04959	18.7
135.03038	4.6
135.06520	52.7
138.09157	5.5
139.03906	1.4
144.06537	2.4
145.04942	15.8
147.04414	5.3
150.07745	1.5
152.05672	100.0
153.04054	6.6
153.06032	2.1
163.03914	2.2
163.06030	5.6
166.91008	1.4
167.05577	3.6
177.00999	1.6
213.07629	4.0
219.01991	4.8
220.02116	1.8
221.01881	1.9
221.04967	1.7
223.06169	1.5
225.04398	2.0
231.02057	2.2
241.07036	2.3
249.09622	1.8
255.01895	1.6
261.02969	2.2
262.43573	1.4
270.76529	1.5
284.13254	2.4
297.11551	1.8
302.00946	1.5
332.96188	1.5
345.23062	1.3
356.47031	1.2
359.02890	2.3
360.02902	8.6
361.02509	2.8
387.09900	1.9
388.71051	1.3
404.09338	2.5
405.10977	2.8
423.11792	1.6
446.11060	1.6
447.14697	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01876	8.2
57.03157	1.1
57.03436	21.3
59.04991	2.9
60.04544	1.5
61.02929	15.3
63.17984	0.9
67.79078	0.8
69.03428	34.3
70.51826	1.6
71.01356	4.5
71.04999	2.1
73.02918	100.0
73.04755	1.1
74.03240	1.1
81.03413	5.6
81.07079	1.1
83.04975	1.1
84.04463	1.1
85.02905	84.8
87.04461	4.1
91.03947	5.8
91.05495	1.5
93.07055	0.9
95.04970	1.2
95.08626	1.1
96.04520	1.5
96.99378	0.9
97.02895	58.0
99.04461	4.2
103.03922	4.4
105.07029	1.3
107.04988	1.2
107.08605	1.5
109.02872	7.8
115.03931	31.3
119.08533	1.6
121.06527	1.1
127.03915	26.1
129.07018	1.2
132.06549	1.3
133.04968	39.1
135.08047	1.3
144.06557	1.0
145.04956	39.5
145.06595	1.7
145.10141	1.2
147.08061	2.7
150.07607	5.7
153.01820	2.5
157.04984	1.4
159.07985	1.5
163.06023	14.1
163.11183	1.5
169.05069	0.9
171.08093	2.7
172.74370	0.9
180.08667	4.0
181.04916	1.1
191.10722	2.5
193.04973	2.5
198.16367	0.9
199.06009	1.9
201.09155	1.6
203.14330	1.9
211.05960	1.2
223.06000	5.5
229.04990	1.1
231.10164	1.2
231.13715	4.1
241.07045	7.5
249.14865	4.2
257.04498	1.4
259.08160	5.3
261.11243	1.0
267.15726	1.6
277.09256	1.7
287.05499	8.0
303.04965	24.7
314.16101	1.5
343.04507	8.5
447.18649	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	3.7
69.03424	4.5
69.05264	16.7
69.05692	18.5
69.99474	3.7
71.10313	3.7
73.04749	3.7
79.05521	4.7
81.07056	13.0
85.02898	7.3
91.05431	6.5
93.07018	5.9
95.04990	5.6
95.08617	13.8
105.07043	16.2
107.04961	15.7
107.08598	7.3
109.10145	4.8
114.92600	3.8
119.08588	24.2
120.37799	4.0
121.06502	11.8
123.08054	11.1
129.07036	5.2
131.08504	7.2
133.06517	4.3
133.10185	9.1
135.08049	9.9
139.03917	3.9
143.08578	8.8
145.10127	14.8
147.08037	9.3
147.11676	8.6
157.10127	9.2
159.11784	5.9
161.09680	4.4
161.13277	19.8
173.09628	17.4
175.07516	10.5
175.11176	65.7
175.14807	28.4
185.13260	15.5
203.14259	28.8
212.08644	3.8
213.12743	12.4
215.67955	4.3
231.13788	100.0
232.14174	8.0
249.14903	53.5
265.08649	5.2
267.15921	59.8
268.16229	4.6
297.11075	9.6
303.05048	44.2
307.94037	5.1
344.05661	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.2
55.05514	1.5
62.57562	1.1
67.05497	4.9
69.03433	3.9
69.56567	1.1
71.30988	1.9
73.02916	3.0
73.04759	1.7
79.05497	3.8
81.03425	1.9
81.07066	10.8
85.02907	8.4
91.05435	6.0
93.07038	4.7
95.08601	6.3
97.02885	1.8
101.63602	1.1
105.06375	2.0
105.07042	30.4
107.08577	5.9
109.10196	2.1
110.38483	1.2
117.06995	1.6
119.08585	13.2
127.03899	1.5
129.07048	1.6
131.08591	2.2
133.10144	8.6
143.08533	2.7
145.04936	2.4
145.10136	18.6
147.11693	100.0
148.12012	3.2
153.01784	1.3
161.06064	1.2
165.09157	1.7
175.07645	1.5
175.14827	41.1
176.15118	2.0
185.13164	2.5
191.10583	2.5
203.14308	25.9
203.16068	1.9
221.15381	67.1
222.15639	2.2
231.13887	7.5
239.95709	1.3
249.14902	21.2
255.82750	1.2
267.15930	46.6
267.18808	2.3
268.16388	2.9
271.05945	5.7
303.05060	22.4
322.14960	1.3
360.02478	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	7.0
69.26718	25.1
69.27147	15.4
81.07062	10.8
85.35343	5.7
93.07028	8.3
93.53964	5.1
95.08609	9.7
102.88632	5.7
107.08604	6.0
119.08546	10.3
132.09100	5.6
188.12895	5.9
195.86874	5.7
227.06996	6.2
258.08911	6.7
271.05997	14.8
285.07672	18.6
300.09976	32.9
301.10687	14.1
307.89435	6.3
384.28638	5.3
401.14609	8.9
401.19562	100.0
402.19583	10.1
408.95825	5.5
446.29507	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.1
55.05485	13.1
67.05513	12.2
69.51095	28.6
69.51495	21.5
79.05493	11.1
81.07056	15.3
87.30505	7.9
91.05427	9.4
91.82616	9.0
93.07025	10.4
95.08602	23.2
95.53312	8.0
98.22607	9.7
105.03410	100.0
105.07012	19.5
107.08577	12.1
119.08593	10.1
121.10117	11.8
133.10194	17.9
157.10121	10.5
199.11234	8.1
219.28897	9.2
252.93123	9.6
271.05991	79.4
272.90073	9.7
300.10114	14.6
361.29617	11.2
375.13840	10.0
401.19543	68.5
429.27505	9.3
446.28287	25.4
446.41827	23.2
446.48618	8.5
447.28958	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86599	1.4
67.05495	6.8
69.07066	3.4
81.07044	3.2
93.07043	3.2
95.08565	2.4
109.06537	2.2
109.10152	6.6
119.08565	5.3
121.06499	13.3
122.07310	1.9
123.89508	1.3
135.07991	2.0
135.10381	1.6
136.08838	12.7
137.09618	16.4
138.06740	3.1
139.07545	1.4
149.09689	1.9
149.32011	1.4
151.07492	3.6
152.08278	1.7
163.11012	1.5
164.08331	35.8
165.09122	100.0
166.06264	8.4
166.09483	6.5
167.07043	9.1
168.07387	2.1
176.32437	1.4
189.09137	1.8
191.10735	1.5
203.10649	1.3
205.12219	7.5
215.43103	1.7
221.08080	2.4
336.28046	1.6
373.14307	2.5
374.14890	4.0
375.15854	2.7
387.15900	4.3
388.16672	7.3
389.17468	8.0
390.17975	1.7
401.17627	1.8
402.18250	3.4
403.19397	9.2
404.19769	3.1
415.15411	3.0
416.15552	7.7
417.16434	9.5
418.21378	3.4
419.22269	9.9
428.36526	52.5
429.36783	4.9
430.17331	4.1
431.18262	16.1
432.19153	2.6
446.20636	80.5
446.38052	22.7
447.21558	22.8
447.37793	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.3
68.99803	0.8
69.13340	0.7
69.13756	1.4
73.02921	12.0
81.03413	0.5
82.37730	0.3
83.46835	0.2
85.02898	1.1
87.04458	1.1
88.83409	0.2
93.03405	0.4
95.05008	0.4
98.22639	0.6
99.04447	0.7
105.41334	0.2
109.02884	0.5
110.73505	0.2
111.00806	1.2
111.90720	0.2
121.02864	1.1
123.04429	0.5
131.04904	0.3
135.04424	0.4
137.02344	4.1
137.97420	0.2
149.02376	0.4
153.01833	4.1
155.21628	0.2
163.03902	0.5
165.01836	2.3
173.06006	0.8
183.02873	0.7
183.04361	0.3
187.03877	0.4
191.03386	0.3
201.05501	2.4
213.05490	0.4
228.04193	0.4
229.04974	5.1
247.06079	0.9
257.04474	2.4
258.04803	0.3
269.08047	0.5
271.06058	0.7
273.03812	0.3
274.04767	0.6
285.03964	1.7
287.05499	0.3
297.10977	0.4
302.04300	0.4
303.04996	100.0
304.05347	5.7
315.12329	0.7
345.06149	0.3
387.45096	0.3
447.16495	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.7
50.07247	0.1
51.02381	1.8
53.03951	7.7
55.01869	0.3
67.05499	0.2
71.31950	0.2
77.03929	1.7
77.06912	0.1
77.51361	0.1
81.03419	0.8
81.07058	0.2
83.05033	0.1
95.04977	10.0
95.08613	0.3
96.05323	0.2
101.80329	0.1
105.03400	100.0
105.04532	4.7
106.03728	2.6
107.08599	0.3
119.08572	0.4
133.10152	0.2
147.08098	0.2
185.23917	0.2
211.03999	0.3
236.04558	0.1
239.03407	1.0
240.04259	0.2
245.62794	0.1
251.03534	0.4
252.04242	0.3
266.05878	0.2
267.03021	0.4
267.06403	0.3
271.06039	0.8
282.05243	2.3
283.05945	0.6
297.07599	5.4
298.08139	0.4
369.20474	0.2
419.11334	0.3
429.27936	0.2
447.10812	3.0
447.29150	0.4
448.10889	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.8
51.02371	0.4
52.02715	0.0
53.00315	0.1
53.03947	4.2
54.04271	0.2
55.01870	0.5
55.05513	0.2
57.03415	0.1
57.07076	0.1
65.00279	0.1
67.05513	0.2
68.43240	0.0
68.99792	0.1
69.03400	0.0
69.07066	0.2
70.47651	0.1
77.03921	1.8
78.04288	0.0
79.05488	0.2
81.02975	0.1
81.03421	0.9
81.03858	0.1
81.07064	0.3
82.07412	0.0
83.04994	0.1
83.08575	0.1
85.06516	0.1
86.06876	0.0
91.05479	0.2
93.07066	0.3
94.07393	0.1
95.04967	10.1
95.08606	0.3
96.05308	0.2
96.08934	0.1
98.22966	0.0
104.02595	0.0
105.03392	100.0
105.04390	4.5
106.03712	2.6
106.04875	0.1
106.96684	0.0
107.08535	0.2
108.02039	0.1
109.10153	0.1
111.04421	0.1
111.08112	0.1
118.06554	0.2
118.12850	0.0
119.08555	0.2
121.06477	0.1
121.10143	0.1
123.08079	0.1
123.11755	0.1
128.06212	0.1
129.07033	0.1
131.08543	0.1
133.10146	0.1
135.08112	0.1
135.11700	0.1
136.99945	0.1
139.07542	0.1
142.07791	0.1
143.08563	0.1
145.10104	0.1
147.08047	0.0
149.09573	0.1
153.06937	0.1
155.08530	0.2
156.09247	0.1
157.10103	0.2
159.07967	0.1
159.11711	0.1
161.09589	0.1
165.05568	0.1
165.06917	0.1
166.07626	0.1
167.07021	0.3
167.08528	0.1
168.07385	0.1
168.09262	0.0
169.10143	0.2
171.11699	0.2
173.09558	0.1
178.07919	0.1
179.08539	0.1
180.09087	0.1
181.06476	0.1
181.10059	0.1
182.07199	0.1
183.08002	0.1
183.11716	0.2
184.12256	0.0
185.09692	0.1
187.11160	0.1
189.12686	0.1
193.10120	0.1
194.10690	0.1
195.08017	0.1
195.11624	0.1
196.12183	0.0
197.05971	0.0
197.09599	0.1
197.13330	0.1
199.11174	0.1
207.11565	0.1
209.09601	0.2
209.13145	0.1
210.06767	0.2
211.11206	0.1
213.05515	0.1
213.12660	0.1
219.11665	0.0
221.09572	0.1
221.13239	0.1
222.13808	0.1
223.07487	0.0
223.11108	0.1
223.14714	0.1
225.05479	0.1
225.09192	0.2
225.12753	0.1
226.06261	0.0
227.14268	0.0
232.12300	0.1
233.13176	0.1
235.11124	0.1
235.14900	0.1
236.15433	0.1
237.05409	0.1
237.12576	0.1
237.16269	0.1
238.06311	0.1
239.06964	0.0
239.14304	0.1
240.07828	0.1
241.08618	0.0
241.15793	0.1
243.11688	0.0
245.12929	0.0
247.11090	0.0
247.15039	0.1
249.12495	0.1
251.07098	0.1
251.14214	0.2
252.07820	0.1
252.14610	0.1
253.04955	0.1
253.08449	0.1
253.15829	0.1
255.10005	0.1
261.16266	0.1
263.14157	0.1
264.14819	0.1
265.15945	0.1
266.05612	0.0
267.17410	0.1
268.07257	0.2
274.13535	0.0
275.14325	0.0
276.14450	0.0
277.15771	0.1
278.16159	0.1
279.17319	0.1
281.08029	0.4
282.08389	0.1
283.09546	0.2
284.06839	0.1
289.15964	0.1
289.19342	0.1
292.17978	0.1
293.18848	0.1
295.06021	0.1
296.06769	0.1
297.07529	0.1
299.08997	0.1
305.18750	0.1
306.19223	0.1
307.20447	0.4
311.09103	1.4
312.09570	0.0
326.11624	0.1
327.08493	0.1
333.22086	0.2
341.10263	0.1
342.11099	0.2
385.10571	0.1
411.27081	0.1
415.11520	0.1
419.28659	0.1
429.28391	0.3
446.27631	0.1
447.14279	0.1
447.29193	1.2
448.29199	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.8
51.02373	0.9
53.03947	5.0
54.04280	0.2
55.01869	0.7
55.05507	0.3
67.05508	0.6
68.98600	0.1
69.03431	0.2
69.07056	0.2
71.30193	0.1
72.73170	0.1
73.04812	0.1
73.66653	0.1
75.06564	0.1
77.03919	2.0
79.05482	0.3
81.03423	0.8
81.07063	0.6
83.04979	0.5
83.08619	0.1
91.05463	0.6
93.07038	0.8
95.04967	9.7
95.08595	1.1
96.05312	0.2
97.06532	0.1
104.87634	0.1
104.88297	0.1
105.03391	100.0
105.04523	4.8
105.06989	0.8
106.03711	2.7
106.04885	0.2
107.08590	0.6
109.06525	0.2
109.10156	0.3
111.04457	0.3
111.08088	0.3
112.79369	0.1
115.05447	0.1
117.07011	0.3
118.06552	0.1
119.08568	0.7
121.06529	0.2
121.10141	0.4
123.08085	0.3
125.09637	0.1
128.06229	0.1
129.07005	0.2
130.07750	0.1
131.08575	0.4
133.06461	0.1
133.10109	0.6
135.08090	0.4
135.11697	0.1
137.05972	0.1
139.07550	0.1
141.06973	0.1
142.07794	0.3
143.08615	0.6
144.09296	0.1
145.06465	0.1
145.10120	0.6
147.08034	0.2
147.11670	0.2
149.09572	0.1
153.06969	0.1
154.07777	0.1
155.08528	0.6
156.09302	0.2
157.10152	0.8
159.08043	0.3
159.11707	0.5
161.09639	0.4
161.13208	0.1
163.11203	0.1
165.07001	0.2
166.07756	0.2
167.07304	0.1
167.08582	0.4
168.09300	0.1
168.77570	0.1
169.06389	0.1
169.10112	0.5
170.10916	0.1
171.08122	0.3
171.11708	0.4
173.09610	0.2
173.13284	0.2
175.11139	0.2
178.07733	0.1
179.08540	0.3
180.09337	0.1
181.06598	0.1
181.10068	0.4
182.07184	0.1
182.10840	0.1
183.08044	0.1
183.11726	0.5
185.09613	0.5
185.13156	0.3
187.11160	0.4
187.14850	0.1
189.12746	0.1
191.08466	0.1
192.09222	0.2
193.10187	0.4
194.10770	0.1
195.08022	0.2
195.11678	0.5
196.12415	0.1
197.06075	0.1
197.09613	0.2
197.13239	0.3
198.10365	0.1
199.11147	0.4
199.14795	0.1
201.12715	0.3
203.08548	0.1
203.10870	0.1
203.14284	0.1
204.09398	0.1
205.10112	0.2
206.10823	0.2
207.11713	0.4
208.12289	0.2
209.09615	0.2
209.13182	0.5
210.06767	0.2
210.10202	0.1
210.13741	0.1
211.11134	0.3
211.14809	0.2
213.09132	0.1
213.12794	0.4
213.16296	0.1
214.13234	0.1
215.14319	0.2
217.10199	0.1
217.12202	0.1
218.10963	0.1
219.11684	0.4
220.12346	0.1
221.09793	0.1
221.13293	0.5
222.10489	0.1
222.13834	0.1
223.07571	0.1
223.11121	0.3
223.14757	0.3
224.11827	0.1
225.05467	0.1
225.09113	0.2
225.12772	0.4
227.10706	0.1
227.14279	0.4
229.10194	0.1
231.11655	0.3
232.12402	0.2
233.13226	0.3
234.13937	0.1
235.11209	0.1
235.14867	0.4
236.11882	0.1
236.15584	0.1
237.12691	0.2
237.16434	0.2
238.06215	0.1
239.14281	0.2
240.07625	0.1
241.15851	0.2
243.11588	0.1
244.12411	0.1
245.13245	0.3
246.14055	0.2
247.11282	0.1
247.12247	0.1
247.14758	0.6
249.12733	0.2
249.16371	0.2
251.07008	0.1
251.14294	0.4
252.14746	0.1
253.04973	0.1
253.08630	0.2
253.12193	0.1
253.15916	0.4
258.14093	0.1
259.14694	0.1
261.12833	0.1
261.16345	0.2
263.14188	0.2
263.17993	0.1
264.18588	0.1
265.15848	0.4
265.19284	0.1
267.14304	0.1
267.17413	0.3
268.07288	0.2
272.15234	0.1
273.12738	0.1
273.16278	0.1
274.17081	0.1
275.14294	0.2
277.15802	0.1
278.16785	0.1
279.14365	0.1
279.17355	0.3
279.20407	0.1
281.05206	0.1
281.08005	0.5
283.09540	0.2
284.06763	0.1
285.16223	0.1
287.14249	0.1
287.17929	0.1
289.16327	0.1
289.19492	0.3
290.16473	0.1
291.17255	0.2
291.20502	0.1
293.15250	0.1
293.18692	0.1
296.06580	0.1
297.07590	0.1
301.15839	0.1
303.17136	0.1
305.15576	0.1
305.19003	0.2
307.17163	0.1
307.20511	1.4
308.17471	0.1
308.21066	0.1
309.18726	0.1
309.22067	0.2
311.09119	1.4
315.17389	0.2
317.18909	0.1
319.16971	0.1
319.20444	0.1
320.12595	0.1
331.20551	0.1
333.18338	0.2
333.22125	0.3
335.23779	0.1
341.10431	0.1
342.10977	0.2
348.20758	0.1
387.23285	0.1
391.22946	0.1
401.24277	0.1
401.28793	0.1
403.26154	0.3
405.24310	0.1
411.26636	0.2
415.11496	0.1
419.29709	0.1
429.23294	1.1
429.28458	0.4
430.24429	0.1
446.27966	0.1
447.14322	0.2
447.24725	1.3
447.29068	1.4
448.29559	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.3
56.96565	0.4
61.86396	0.3
65.03967	0.3
67.05500	0.6
69.03432	0.7
71.04994	0.3
71.29975	0.3
71.30341	0.4
72.08164	0.5
73.04760	1.3
74.26955	0.3
81.03421	0.4
82.49141	0.3
83.04983	1.2
85.02892	0.7
86.09744	0.6
91.05811	4.2
93.05499	0.7
95.04984	0.9
98.97578	2.2
110.32527	0.3
110.97574	0.3
111.04455	1.6
116.98618	1.4
123.04439	0.5
128.98634	0.6
129.05470	0.6
139.03899	0.7
146.05209	0.3
147.04453	0.4
149.02348	0.6
149.04480	0.5
153.05272	0.3
157.04994	0.4
158.99655	0.7
161.03006	0.4
163.03955	0.4
165.05592	0.5
167.05588	1.4
169.05269	0.3
177.00703	0.6
219.01704	0.6
225.04298	0.6
237.02780	1.6
271.06104	0.9
275.07541	0.3
313.11417	0.3
315.10501	13.6
316.11053	0.5
317.08411	1.7
344.99600	0.3
360.02884	0.4
361.02728	2.4
369.13651	0.5
387.13409	0.5
405.14502	1.6
447.14728	100.0
448.15097	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.1
55.05505	0.5
57.03424	0.8
58.60443	0.4
65.03928	1.0
68.99788	1.3
69.03417	0.8
69.54750	1.6
71.05001	3.1
72.08163	0.6
73.04749	1.0
76.76984	0.3
83.04975	1.4
84.04508	0.4
85.02905	4.2
86.09721	0.3
91.05380	0.2
91.05814	2.5
93.03408	1.0
93.05496	0.5
95.04986	0.4
95.05593	0.3
97.02881	0.9
98.22675	0.5
98.31490	0.2
98.97552	0.5
102.84184	0.2
103.05467	1.2
104.05785	0.7
107.04979	0.3
110.06282	0.3
111.04452	4.4
116.98593	0.3
117.79569	0.3
121.06447	0.4
123.04438	1.0
127.03905	0.3
129.05458	0.9
130.04993	0.4
131.04921	3.7
132.05258	2.4
135.04443	1.0
139.03899	100.0
140.04213	2.4
141.05411	0.3
147.04440	0.4
147.06541	0.4
147.07713	0.6
149.02380	0.6
149.06001	0.3
151.03893	2.1
161.06000	0.3
163.03891	1.3
163.07520	1.2
164.07898	1.1
167.05579	1.1
168.05525	0.4
169.05264	0.7
177.00739	0.4
177.05504	1.1
181.04994	1.6
189.05450	0.3
205.04988	2.2
225.04263	0.4
227.04086	0.3
231.06448	0.4
235.06035	0.4
247.05962	0.5
249.07605	0.7
267.08722	0.3
271.06003	7.9
272.06406	0.6
283.08267	0.4
285.09753	0.5
301.09183	1.3
303.08557	0.4
360.02686	0.4
361.02637	2.0
385.14392	0.4
419.14664	0.3
447.14191	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
53.92780	0.3
55.05492	1.0
57.03426	0.2
57.86839	0.4
65.03918	0.4
66.04723	0.3
67.05478	0.5
75.04465	0.2
75.25683	0.2
77.03938	0.3
79.05485	3.8
81.03407	2.2
81.07057	1.9
83.04975	1.3
87.68967	0.2
91.05460	0.5
93.03371	0.4
93.07041	0.5
94.04171	0.6
95.04977	1.3
95.05460	0.2
95.08577	0.6
96.05743	1.8
99.60337	0.2
99.89683	0.2
99.94159	0.2
105.04499	0.3
105.07001	0.5
107.04948	0.3
107.08566	0.3
108.05727	0.7
109.02864	0.5
109.06515	2.8
111.04455	0.2
111.08062	0.8
113.02367	0.3
113.05992	0.5
119.08519	0.2
119.33663	0.2
121.06503	0.2
122.03642	1.6
123.04432	0.3
124.05203	3.9
125.05968	0.3
128.04669	0.7
129.07004	0.3
135.08057	0.3
136.05188	0.3
137.02303	0.5
137.05995	0.2
139.07533	6.0
141.01793	0.4
143.08484	0.3
145.06461	0.5
145.10118	0.4
147.07999	0.3
151.03918	1.2
151.07530	0.3
152.04675	8.4
152.05917	0.4
156.04164	1.4
159.08029	0.8
161.09607	0.3
165.05484	0.3
166.06273	0.4
167.07034	1.8
168.07790	0.8
169.08641	0.5
171.08060	0.3
175.07581	0.7
177.05528	0.3
180.07808	0.3
181.08582	1.9
184.03671	0.5
185.08078	1.0
187.07541	0.7
188.08376	0.4
189.08946	0.4
191.10722	0.4
192.07764	0.5
195.06516	100.0
196.06870	3.7
202.09898	1.1
203.06953	0.8
203.10576	0.4
204.11534	0.5
205.08575	0.5
209.13229	0.3
218.09377	1.7
219.10101	0.4
220.10907	1.5
223.13251	2.4
231.06487	0.5
233.11665	2.9
235.13222	0.3
246.08871	1.1
251.12741	2.1
261.11194	1.1
279.12256	63.3
280.12576	3.3
370.17639	0.5
374.17169	0.6
401.19431	1.2
421.58063	0.2
429.18820	0.3
447.19693	1.3
447.28635	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
55.05505	0.4
61.02917	0.5
67.05502	2.2
69.03418	0.7
69.07061	0.8
69.25986	1.6
69.26402	1.1
69.48504	0.4
71.05001	0.5
73.02893	0.5
75.84387	0.4
79.05473	1.2
81.03396	0.9
81.07040	3.0
83.04975	0.9
83.08596	0.5
85.02904	0.8
91.05470	1.5
93.07043	2.2
95.05000	1.0
95.08609	1.6
97.02907	0.5
97.06558	0.4
99.04459	0.5
105.07013	2.0
107.04974	0.6
107.08604	1.3
109.10155	0.8
111.04407	0.7
119.08580	1.3
121.10149	1.0
123.08100	0.7
125.09679	0.5
131.08617	0.8
133.10124	0.9
135.08028	0.6
137.05992	0.9
145.10126	0.8
146.10585	0.4
147.08017	0.6
147.11644	1.0
147.35695	0.4
151.07539	0.6
153.01855	1.7
157.10187	0.9
162.48148	0.4
163.03900	0.8
171.11644	0.6
183.08003	0.5
185.06003	0.5
195.08148	0.5
205.10202	0.5
205.12271	0.4
205.47127	0.4
213.05342	0.5
221.13351	0.8
231.11737	0.6
231.13838	0.6
232.14116	0.9
250.37946	0.4
251.16383	0.5
257.04691	0.4
267.13605	0.4
271.05887	0.6
285.04144	0.5
287.05499	1.5
291.13770	1.1
293.15439	0.8
295.05804	0.5
297.03912	1.7
303.05029	0.7
313.03412	2.3
314.04105	0.9
315.17712	1.1
321.18671	0.6
325.03748	0.5
329.03030	0.9
341.06461	0.7
343.04453	9.5
344.04800	0.6
369.06155	0.7
393.06079	3.0
411.07108	1.2
429.20163	0.4
447.09631	2.2
447.21985	100.0
448.22357	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	12.7
55.01873	7.9
55.05511	17.8
57.03437	31.4
59.04966	3.0
61.02929	76.1
65.03938	4.9
67.05181	2.9
67.05506	33.3
69.03425	35.5
69.07065	8.1
69.14651	15.1
71.01341	5.9
71.04984	12.4
73.02924	39.5
79.05498	37.3
81.03417	87.0
81.07052	42.6
83.01359	2.3
83.04984	23.9
83.08627	22.8
85.02907	100.0
86.03234	2.9
87.04472	4.7
91.03951	40.7
91.05477	58.2
93.07040	28.1
95.04973	34.6
95.08589	17.0
97.02891	58.6
97.06512	8.4
97.10165	3.6
98.22652	4.5
99.04446	11.2
99.08100	2.8
101.02366	15.5
103.03950	8.1
105.06380	2.7
105.07030	36.4
107.04955	11.7
107.08612	10.4
109.02867	13.6
109.06516	9.5
109.10138	5.1
111.04443	6.5
111.08064	13.8
113.05990	4.0
115.03947	4.3
115.05437	4.8
117.05502	3.4
117.06993	7.4
118.73837	2.0
119.08585	39.4
121.06494	2.7
121.10125	8.6
123.08087	4.7
125.06001	2.6
125.09633	2.1
127.03925	28.6
128.06181	3.3
129.05489	7.2
129.06996	18.8
131.08598	21.3
133.10139	27.0
135.08080	2.6
137.06001	2.4
142.07709	3.5
145.04926	14.5
145.10092	4.9
147.08049	7.7
147.11674	29.5
149.09630	10.0
157.10127	28.0
162.13521	2.3
163.06038	2.2
163.11147	3.5
165.12749	5.2
165.64734	2.0
175.11205	30.2
183.06517	6.1
193.12241	95.9
193.14015	5.0
194.12541	4.2
201.07521	3.5
205.15941	2.4
211.13281	86.4
212.13647	3.9
233.15347	6.1
251.16388	7.3
267.15848	13.2
272.69757	2.1
285.16946	69.0
303.04959	19.6
313.16272	2.8
371.37622	2.3
387.17963	3.1
426.84174	2.1
429.20782	5.8
447.22601	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01876	17.4
55.05513	44.1
57.03437	60.6
57.07075	14.6
65.39075	1.0
67.05503	15.3
69.03410	1.3
69.07067	42.5
70.07381	1.2
71.08633	9.8
73.02893	1.1
79.05499	9.3
81.07059	15.3
83.04974	2.6
83.08620	36.7
85.10167	2.8
91.05450	3.4
93.06545	1.0
93.07039	10.4
95.08615	14.8
96.08913	1.5
97.06531	5.2
97.10169	23.2
98.22495	1.7
98.98465	81.7
105.06976	2.5
106.07407	1.1
107.08579	7.6
109.10108	4.1
111.04422	1.2
111.08051	2.5
111.11719	5.7
116.99473	1.1
119.08508	1.3
121.10128	10.4
123.08077	1.1
123.11666	3.4
125.09590	1.9
125.13230	2.7
133.10062	1.7
135.11705	7.2
136.99989	84.3
137.13220	1.9
145.10106	1.2
149.13190	3.2
155.01035	67.8
157.10109	1.2
160.07307	0.9
161.09616	1.5
169.10080	1.4
181.02533	1.4
187.45451	1.1
192.26031	1.2
193.02611	16.9
193.10048	1.1
207.11650	1.6
208.11732	1.2
209.09233	1.2
211.03673	14.4
211.11018	1.7
219.20976	2.5
221.12880	0.9
231.11580	1.4
235.10890	1.3
237.22136	17.1
251.13953	1.1
252.14601	2.2
253.15164	2.3
265.14990	1.7
266.16003	1.4
293.18372	1.0
293.24704	2.7
306.19208	1.3
307.19693	2.9
311.25781	63.7
312.25977	3.9
343.75702	1.0
401.27753	1.2
411.25848	1.1
429.26999	4.0
447.24734	100.0
448.25092	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.7
55.01858	5.1
55.05509	20.4
57.03418	4.4
65.03931	2.8
67.05502	34.8
69.03429	6.4
69.07072	9.0
71.04971	2.3
71.31072	2.4
73.04716	1.6
79.05071	1.7
79.05490	26.6
81.03397	5.7
81.07051	24.3
83.04502	1.4
83.04977	21.1
83.08592	4.5
85.06552	1.8
85.19849	1.4
91.05473	28.7
93.07042	33.7
95.04969	14.4
95.08599	30.3
97.02885	2.8
97.06514	4.3
97.10157	4.5
101.41573	1.2
103.05446	3.1
105.04529	1.5
105.07023	24.2
107.04939	5.8
107.08588	19.7
109.06519	6.8
109.10178	8.6
111.04432	12.2
111.08058	5.8
115.05418	4.4
116.06226	1.9
117.07027	9.7
119.08580	21.3
121.06506	11.2
121.10137	9.4
123.08064	8.5
123.11710	2.5
125.06012	1.5
125.09585	4.9
128.06245	8.0
129.07005	11.7
130.07738	1.3
131.04921	3.2
131.08559	14.5
133.06441	4.8
133.10124	13.8
135.08040	8.4
135.11694	9.8
137.05928	2.6
137.09544	1.7
139.03822	1.6
139.07536	1.7
141.06946	5.1
141.09062	1.5
142.07722	9.9
143.08566	16.4
145.06462	7.2
145.10100	14.5
147.08008	8.8
147.11717	7.6
149.02405	2.2
149.09642	7.0
153.06960	3.7
153.09035	1.6
154.07748	2.3
155.06158	1.6
155.08575	11.3
156.09406	2.9
157.06488	1.9
157.10120	17.7
158.07199	1.7
158.10674	1.4
159.08080	8.1
159.11673	7.0
160.08659	1.3
161.09615	6.9
161.13251	2.9
163.11171	5.9
165.06953	5.3
166.07753	2.7
167.08574	6.3
168.09343	2.4
168.46594	1.4
169.06448	2.5
169.10138	11.6
171.08026	11.2
171.11684	8.2
173.09639	8.5
173.13239	4.2
175.11194	7.9
175.14694	1.7
177.09036	1.4
177.12665	1.9
178.07787	1.7
179.08527	8.8
180.09309	2.2
181.06375	3.4
181.10094	10.6
182.10793	1.9
183.07999	3.8
183.11673	9.3
184.08740	3.3
185.09631	9.3
185.13222	3.9
187.07550	8.1
187.11220	6.4
189.09096	1.9
189.12680	3.8
191.08597	3.1
192.09311	4.9
193.10091	11.3
193.11934	2.4
194.07349	1.7
194.10938	3.4
195.08041	9.7
195.09866	1.6
195.11676	10.7
196.08792	3.1
197.05852	2.2
197.09644	8.7
197.13219	4.4
199.11130	8.8
201.09068	3.8
201.12704	4.2
203.08752	1.4
203.10672	4.0
203.14336	3.1
204.09344	2.2
205.10104	5.3
206.10823	3.6
207.08051	1.5
207.11636	11.2
208.08789	2.9
208.12265	2.7
209.09630	10.4
209.13222	9.9
210.10342	4.1
211.07544	4.9
211.11180	37.3
211.14607	1.7
212.11526	1.5
213.09016	3.7
213.12674	4.3
215.14119	1.5
216.09267	1.5
217.10052	4.0
218.10774	2.7
219.11792	7.3
219.13580	2.7
220.12306	2.5
221.09561	4.2
221.13216	7.9
221.15050	1.4
222.10316	5.3
223.07542	2.9
223.11197	12.3
223.14792	2.0
224.11758	2.6
225.12711	11.1
227.10651	23.6
227.14198	2.1
229.10094	2.8
229.12169	3.3
231.11598	5.5
232.12375	4.9
233.09531	2.7
233.13260	8.0
234.10197	2.2
234.13994	1.6
235.11192	7.6
235.14760	7.6
236.11824	2.5
237.08995	3.5
237.12752	17.2
238.13531	1.8
239.10619	5.4
239.14301	4.6
241.12306	7.7
243.11711	2.1
244.12447	2.4
245.13182	5.9
246.10410	1.8
246.14024	3.7
247.11087	5.1
247.14752	8.3
248.11960	1.8
248.15613	2.6
249.09059	3.1
249.12689	6.3
249.16414	2.4
251.10579	4.5
251.14230	5.7
253.12224	27.6
253.15799	6.3
255.13756	5.4
256.12433	2.0
257.13098	2.0
258.13806	2.3
259.11191	1.7
259.14713	2.3
260.11975	2.5
261.09106	2.1
261.12677	5.5
261.16501	8.8
262.16928	2.8
263.10602	4.0
263.14313	6.8
263.17828	3.6
264.10962	2.2
265.12225	7.5
265.15790	16.4
267.13828	7.2
271.14661	4.0
272.12238	1.3
272.15482	2.7
273.12842	3.2
273.16336	4.0
274.13388	4.2
274.16943	2.1
275.10773	1.7
275.14148	6.2
275.17511	2.2
277.12341	3.0
277.15546	2.9
278.12762	2.7
279.13766	7.2
279.17349	18.4
281.15137	4.0
287.14172	2.6
287.17480	1.5
288.15121	3.0
288.18405	3.1
289.12619	2.4
289.15689	11.6
289.19009	3.0
290.16370	2.8
291.13763	8.4
291.17349	6.2
292.14343	2.1
293.15366	6.8
297.16333	2.4
301.15900	3.0
301.19321	2.4
302.19931	1.6
303.17453	1.9
304.18018	1.5
305.15247	5.0
305.18698	2.9
306.16043	1.9
307.16916	18.9
308.17416	4.0
309.18356	2.3
315.17374	4.9
317.15131	1.9
317.18967	2.1
319.16916	4.3
319.20502	3.7
330.19733	3.4
331.16858	3.2
333.14871	2.5
333.18478	20.8
334.18637	1.8
335.20047	3.4
337.21384	4.9
345.18356	2.2
347.19958	2.4
348.20691	6.1
355.22751	7.2
369.18378	1.8
371.19730	2.0
373.21359	1.7
383.23373	4.1
387.19128	2.4
387.23367	2.9
393.22076	2.4
401.24905	14.0
405.24268	2.1
411.23175	9.8
419.25577	2.9
429.24161	38.9
430.24512	4.3
447.25241	100.0
448.25604	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45802	0.5
53.03946	1.8
55.01859	1.5
55.05506	4.6
57.03423	0.9
59.04995	0.9
59.13548	0.6
65.03938	1.2
67.05505	9.5
69.03429	3.9
69.07066	2.8
69.16018	0.9
69.16416	3.3
79.05494	8.3
81.03423	4.5
81.07050	6.7
83.05005	2.9
83.08607	1.7
85.02928	0.8
87.04467	1.5
87.30534	0.5
91.05475	15.0
93.07037	7.7
95.04969	5.0
95.08601	5.9
97.06500	1.1
97.10155	0.6
98.23359	1.0
103.05448	1.2
105.07027	9.4
107.04928	2.6
107.08594	9.1
109.06523	3.4
109.10149	2.2
111.04465	2.1
111.08087	2.0
115.05445	2.2
116.06232	0.8
117.07019	6.1
119.04932	0.7
119.08578	14.4
121.02872	0.6
121.06504	3.6
121.10139	4.2
123.08080	5.0
125.09597	0.6
128.06207	4.2
129.07018	7.2
130.07800	0.9
131.08568	6.8
132.05710	1.0
132.08975	0.8
133.06491	1.5
133.10118	5.8
135.08064	4.5
135.11665	2.6
137.06026	1.4
137.09592	1.0
139.07515	1.1
141.06958	4.9
142.07776	5.5
143.08563	8.5
144.05661	0.6
144.09322	1.2
145.06485	3.0
145.10123	6.7
147.08040	17.2
147.11691	3.2
149.05959	0.7
149.09622	2.2
151.07558	0.8
152.06352	0.5
153.06996	3.2
154.07756	5.1
155.08543	10.0
156.09323	6.1
157.06508	1.0
157.10146	8.9
158.07321	1.3
158.10596	0.6
159.08069	5.6
159.11685	2.9
161.09604	4.1
161.13167	0.7
163.07494	0.7
163.11212	0.7
165.07005	4.4
165.09108	3.9
166.07796	2.6
166.27357	0.6
167.08556	7.2
168.09341	2.0
169.10123	13.8
170.10690	1.3
171.08049	2.4
171.11681	12.2
171.13068	0.7
173.09637	4.2
173.13287	2.0
175.07556	10.8
175.11157	2.7
177.09093	1.8
178.07756	2.3
179.08543	9.3
180.09308	3.2
181.10120	9.8
182.10869	2.4
183.08070	1.6
183.11661	4.8
185.09622	2.2
185.13251	2.1
187.07579	1.1
187.11194	1.4
189.09190	1.2
191.08623	1.2
191.10629	0.9
192.09389	3.0
193.08586	1.4
193.10153	9.6
193.12250	1.6
194.10886	7.2
195.08026	1.7
195.11697	10.3
196.08885	1.5
196.12401	2.8
197.09604	2.1
197.13254	2.4
199.11191	1.2
201.09148	2.6
203.08546	1.0
204.09430	0.8
205.08563	1.7
205.10271	3.2
205.11876	0.6
206.10864	3.4
207.11714	5.2
208.12431	3.6
209.09662	1.8
209.13249	21.0
210.10410	0.9
210.13947	4.9
211.11311	3.8
211.14810	14.9
212.15416	1.0
213.09093	0.9
213.12729	1.3
216.09235	0.6
217.10193	1.7
218.10767	1.4
219.09833	3.7
219.11778	2.4
220.12480	1.8
221.09647	1.8
221.13280	4.5
222.10374	0.9
222.14005	1.9
223.11189	2.3
223.14796	7.5
224.15408	0.7
225.12762	1.9
225.16396	2.1
227.14325	0.8
229.10159	0.7
229.12251	0.6
230.10791	0.8
231.11684	2.4
232.12448	2.2
233.13254	2.7
234.10382	0.9
234.13835	0.7
235.11134	1.4
235.14793	4.7
236.15462	0.9
237.10909	4.4
237.13066	1.2
237.16370	5.2
238.13394	1.1
238.16995	0.9
239.10683	4.8
239.14333	0.8
241.12164	0.9
241.16061	0.7
242.10948	0.8
244.12518	0.7
245.13257	1.5
246.10417	0.8
246.13989	1.4
247.11168	1.3
247.14862	2.3
247.17230	0.6
248.11983	0.9
248.15649	1.0
249.12698	1.0
249.16449	2.3
251.14339	2.3
253.12262	1.3
253.15887	1.2
259.11136	0.8
259.14908	1.6
260.11810	0.9
261.12790	1.8
261.16437	2.1
262.13419	0.6
262.17020	1.0
263.14346	1.3
263.17889	0.6
265.12390	0.9
265.15933	1.7
271.14926	0.9
273.12680	1.2
273.16257	1.0
275.14246	1.3
275.17902	0.9
276.11572	0.7
276.14590	0.6
277.12357	0.6
277.15771	0.9
279.14133	0.8
279.17545	0.6
282.13870	0.9
283.14682	0.8
285.12689	0.9
285.16312	0.7
287.17868	1.0
289.12305	0.7
289.15750	1.1
289.19455	0.7
291.13861	2.0
291.17410	1.4
297.16278	0.9
299.18118	0.8
301.15872	0.9
303.13965	0.7
309.15021	1.6
313.19513	0.6
317.18991	0.7
320.15710	0.7
321.15042	1.0
331.20615	0.8
369.22287	0.6
371.19730	0.9
373.17874	0.7
378.19974	0.7
381.18497	1.1
383.23611	1.6
385.21555	1.1
386.22241	1.1
387.23438	1.3
393.22113	2.3
393.83841	0.6
396.20706	0.8
401.24899	2.0
403.22720	2.0
404.23364	0.8
411.23169	7.3
412.23529	0.6
419.25864	0.8
429.24222	29.4
430.24588	2.8
432.22968	3.0
447.25293	100.0
448.25659	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.0
53.03949	4.1
55.01859	1.9
55.05516	10.0
57.03424	1.9
65.03926	1.2
67.05172	1.2
67.05505	13.7
69.03423	3.7
69.04201	8.3
69.07047	3.0
77.03910	1.5
79.05495	9.9
81.03428	7.5
81.07062	7.4
83.04982	15.0
83.08630	2.9
83.16538	0.8
88.60693	0.7
91.05473	13.7
93.07047	24.9
95.04967	9.3
95.08603	19.5
96.08903	0.9
97.06525	3.0
97.10161	1.2
98.23402	1.6
103.05478	1.3
105.03393	25.6
105.04537	2.2
105.07025	15.8
106.03751	0.8
106.58234	0.9
107.04954	1.7
107.08596	12.5
109.06522	3.4
109.10187	4.2
111.04436	7.6
111.08069	6.2
115.05476	2.1
117.07023	5.0
119.04928	1.0
119.07772	1.5
119.08579	20.0
121.06525	5.9
121.10121	5.6
123.08060	4.6
125.05999	0.9
128.06218	2.5
129.06978	5.9
130.07788	1.8
131.08562	9.5
133.06494	3.5
133.09204	1.4
133.10130	15.8
135.08040	6.0
135.11656	4.7
137.05948	1.2
137.09555	1.3
139.07526	3.8
141.06952	4.0
142.07794	5.7
143.08588	8.7
144.05641	1.2
144.09348	2.3
145.06462	3.3
145.10124	10.8
146.07210	1.3
147.08022	6.9
147.11696	6.5
149.06018	1.0
149.09616	3.8
151.07689	1.0
153.06946	2.5
154.07741	2.0
155.08543	7.3
156.09332	3.0
157.06508	2.0
157.10127	15.2
158.07251	2.7
159.08072	8.0
159.11668	7.4
160.08807	0.9
161.09637	11.7
161.13277	2.2
163.11186	3.7
165.06941	2.3
166.07803	1.2
167.08585	3.6
168.09201	1.1
169.06525	1.3
169.10150	6.3
171.08020	4.2
171.11702	7.9
172.08772	2.2
173.05873	1.0
173.09613	9.5
173.13248	1.5
175.11192	9.0
178.07735	1.0
179.08585	4.7
180.09337	2.4
181.06517	1.8
181.10104	4.8
182.07129	1.6
182.10829	1.8
183.08037	3.4
183.11699	5.7
184.08850	2.1
185.05963	1.1
185.09630	7.9
185.13219	3.4
187.07539	19.6
187.11137	8.1
187.14804	1.0
188.07986	1.5
189.09093	3.5
189.12706	5.4
191.08569	1.9
192.09331	3.3
193.10109	6.2
193.12204	2.3
194.10869	3.0
195.08052	5.0
195.11731	5.2
196.08804	1.4
196.12421	0.9
197.05975	2.5
197.09598	4.8
197.13214	4.5
198.10271	1.3
199.07478	2.2
199.11168	5.5
201.09068	5.3
201.12718	4.2
203.08717	1.6
203.10629	8.9
204.09352	0.9
205.10124	3.1
205.12119	1.3
206.10890	3.1
207.08066	0.9
207.11667	12.6
207.13579	1.1
208.08878	1.1
208.12350	1.3
209.09587	3.5
209.13254	5.3
210.10391	3.6
211.07724	4.5
211.11208	6.7
211.14726	2.4
212.08043	1.2
212.11969	1.5
213.09094	4.0
213.12704	4.7
215.10661	3.3
216.09286	0.9
217.10091	3.5
217.12077	1.1
218.10893	2.3
219.11642	5.5
220.12408	1.9
221.09677	1.9
221.13284	5.7
222.10393	2.7
222.13777	1.0
223.07547	2.8
223.11183	4.7
223.14717	2.1
224.11938	2.3
225.09100	3.2
225.12730	7.0
225.87167	0.8
226.09767	1.3
226.13321	1.3
227.10658	22.9
227.14296	3.6
228.11108	1.9
229.10117	1.1
229.12199	3.6
230.10783	1.2
231.11757	4.3
231.13713	1.1
232.08780	1.2
232.12460	3.0
233.09641	2.6
233.13228	9.2
234.10373	1.4
234.13889	1.5
235.07559	1.0
235.11227	2.7
235.14690	4.3
236.11931	1.6
237.09045	2.5
237.12680	5.4
237.16373	1.5
238.09840	1.3
238.13371	1.0
239.10640	5.2
239.14293	4.7
241.12256	11.4
242.12834	1.2
243.11607	1.9
243.13824	1.6
244.12381	1.2
245.09599	1.8
245.13223	5.0
246.10255	1.2
246.14008	3.6
247.11179	3.4
247.14815	7.6
248.11856	1.8
248.15471	2.5
249.09013	2.6
249.12772	3.6
249.16380	2.6
250.13293	1.5
251.10675	3.3
251.14308	3.3
253.12241	35.0
254.12665	2.6
255.13905	4.6
257.13135	2.0
257.15561	1.5
258.13913	1.7
259.11240	2.1
259.14886	4.7
260.12064	1.0
260.15521	2.2
261.09085	1.5
261.12732	2.4
261.16400	6.1
262.09885	1.5
262.13425	1.2
263.10660	3.6
263.14331	3.5
263.17865	1.3
263.76761	0.9
265.12238	5.3
265.15796	2.3
267.13855	6.9
269.15411	1.5
271.14856	1.7
272.15378	2.3
273.12772	2.4
273.16342	4.7
274.13406	1.4
274.16925	1.3
275.10916	1.8
275.14282	3.8
275.17923	2.5
276.11636	1.8
276.14865	1.9
277.12216	2.5
277.15823	4.1
279.13782	7.4
279.17041	1.7
281.15305	2.8
285.12842	0.9
286.13565	1.5
287.14261	2.5
287.17847	3.6
288.15012	1.5
288.18542	1.7
289.12445	1.8
289.15805	6.6
289.19455	2.4
290.13083	1.1
290.16388	1.8
291.13760	9.7
291.17371	5.1
292.14496	1.3
293.15436	4.6
293.18506	1.1
295.16913	1.8
299.14417	1.0
299.18008	1.3
301.15872	1.9
301.19571	2.6
302.20151	1.3
303.13751	2.1
303.17126	1.8
303.20627	1.4
304.14551	1.1
305.15305	6.2
305.18579	1.3
306.16013	2.3
307.16925	13.2
307.20416	1.2
308.17529	1.7
309.18262	1.8
313.15741	1.0
315.17383	5.6
317.15292	1.3
317.18988	2.6
318.16208	1.9
319.16895	4.6
319.20328	1.6
320.17258	1.8
321.18463	2.1
327.17377	1.2
327.21017	0.9
329.19034	1.5
330.19824	2.7
331.16827	3.0
331.20343	1.3
333.18469	23.4
334.18982	2.2
335.20038	5.7
337.21594	2.5
345.18503	1.5
347.19998	4.5
348.20749	8.1
349.21490	1.7
359.20108	1.7
369.18317	2.3
373.21539	1.3
383.23706	2.3
387.19308	2.3
387.23618	5.9
393.22064	0.9
401.24805	11.7
405.24170	3.4
411.23163	11.7
412.23007	1.7
419.25732	1.9
429.24170	34.2
430.24567	4.1
447.25241	100.0
448.25610	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	2.3
53.03955	11.8
54.06023	1.5
55.01873	9.4
55.05512	31.2
56.05836	1.7
57.03442	12.8
57.07077	2.0
65.03956	4.3
67.05505	75.1
69.03441	6.4
69.07068	20.0
69.44316	2.5
69.44721	8.6
71.01360	2.1
71.04993	8.4
79.05492	69.0
81.03420	75.8
81.05933	1.5
81.07060	47.1
81.07517	3.2
83.04982	21.4
83.05370	1.7
83.08616	24.1
83.09048	1.8
85.02877	1.8
85.06548	3.4
91.05475	64.6
93.07043	66.7
95.04970	38.4
95.05532	2.9
95.08603	29.1
95.09159	2.3
97.02927	5.9
97.06532	12.4
97.10170	17.8
97.10674	1.6
99.04520	1.7
99.08101	3.3
103.05523	4.2
104.24925	1.4
105.03445	4.8
105.04563	3.1
105.07030	45.4
107.04956	22.7
107.05608	1.9
107.08595	39.7
109.06508	14.8
109.10141	18.8
111.04476	4.6
111.08081	10.7
115.05434	8.3
117.07024	23.5
118.80691	1.4
119.04972	3.4
119.08580	38.4
121.06511	19.1
121.07233	1.5
121.10146	14.4
123.08083	7.3
125.09623	11.2
128.06213	9.6
129.07008	25.9
130.07791	2.6
131.04970	4.5
131.07652	1.2
131.08571	31.4
133.06494	8.0
133.10139	23.2
135.08054	9.0
135.11685	38.4
137.06030	4.2
137.09677	3.5
139.07571	2.0
141.07045	6.7
142.07784	7.5
143.08574	20.1
144.09378	2.9
145.06473	15.0
145.10127	23.5
147.08046	13.5
147.11693	13.6
149.09613	8.7
151.07576	3.4
153.07069	3.8
153.09157	2.8
154.07797	2.9
155.08525	9.9
156.09398	4.9
157.06575	3.5
157.10129	20.9
158.07275	1.7
159.08078	10.2
159.11688	13.8
161.06087	1.5
161.09650	7.7
161.13310	2.5
163.11208	14.4
165.07048	3.9
167.07178	3.5
167.08649	6.5
169.06487	2.1
169.10104	11.9
170.10883	2.1
171.08015	8.0
171.11771	6.9
173.09724	6.2
173.11957	2.3
173.13402	5.3
175.11200	12.2
175.14857	2.4
177.12811	2.1
178.07787	2.3
179.08611	5.8
180.09259	2.5
181.10100	9.5
181.12325	6.9
182.11026	1.8
183.08144	3.0
183.11710	10.0
185.09628	7.4
185.13245	7.9
187.11200	10.9
189.09201	2.6
189.11317	4.5
189.12846	3.1
192.09378	1.9
193.10263	8.6
193.12349	26.7
193.13727	2.2
194.10927	2.6
195.11700	9.0
197.09729	4.2
197.13347	5.1
199.11322	4.4
201.12872	5.8
203.10657	3.6
203.14409	4.3
205.10254	3.3
205.12213	2.7
206.10982	2.5
207.11710	8.7
208.12389	1.7
209.09727	6.1
209.13330	6.2
211.11218	8.1
211.14935	1.8
212.11916	1.9
213.12836	4.2
217.10254	2.1
219.11815	5.3
219.13869	3.3
220.12393	2.5
221.13370	7.1
222.10547	1.6
223.11230	4.5
223.14951	2.5
225.12741	8.7
227.10826	3.2
227.12622	1.9
227.14522	3.0
229.12404	2.2
231.11829	4.8
231.14041	2.5
232.12549	3.5
233.13391	4.3
234.13895	2.2
235.11296	4.7
235.14879	3.3
237.12849	5.7
239.14474	5.2
243.13890	1.8
244.12662	1.9
245.13419	3.8
247.15034	3.2
249.12788	3.9
249.14908	3.3
251.14400	2.1
253.16115	2.5
257.13153	2.5
257.15515	2.3
258.14117	2.3
259.11304	1.8
259.14795	2.8
261.12808	1.8
263.18152	2.2
265.15881	2.6
267.16248	2.1
270.14264	2.0
273.16556	3.2
275.14136	2.1
276.18756	2.5
277.16092	2.4
287.18048	2.2
289.15790	2.4
291.17670	3.3
301.19632	2.0
305.18985	1.9
311.00525	1.7
315.17633	2.9
319.20633	7.8
321.22128	2.2
327.23468	2.4
329.21396	2.2
335.19458	1.6
337.21732	11.8
355.22632	22.3
356.22723	1.9
373.23785	8.5
401.25122	1.8
403.24774	3.3
405.24448	5.4
411.23538	3.5
429.24490	27.9
430.25806	2.8
447.27084	100.0
448.27313	10.8
453.41568	1.8
474.00769	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09264	1.1
51.32706	1.1
53.03947	2.1
55.01863	1.6
55.05512	12.1
57.07083	4.9
65.03924	1.8
67.05499	15.3
69.03439	2.1
69.07068	20.0
71.04988	1.8
71.08650	3.7
79.05504	9.6
81.07059	21.2
82.34431	1.1
83.04985	8.2
83.08625	10.2
85.06577	1.6
85.74754	1.1
91.05468	13.5
93.07043	19.8
95.04978	5.3
95.08607	30.5
97.06567	2.1
97.10165	7.5
98.22569	3.2
98.23293	5.1
99.04520	1.4
103.05514	1.9
105.03390	1.5
105.04623	1.2
105.07027	23.8
105.07666	1.7
107.08599	15.5
109.06522	6.7
109.10165	10.8
111.04465	4.9
111.08102	6.3
111.11768	3.5
115.05472	2.0
117.07047	5.0
119.08583	21.7
121.06548	4.9
121.10146	9.8
123.08073	9.1
123.11692	2.9
125.06033	1.5
125.09652	2.7
128.06267	2.3
129.07036	5.4
131.08571	13.0
132.08841	1.3
133.06499	2.9
133.10124	12.8
135.08046	37.3
135.11710	4.9
137.05994	7.6
137.09673	1.8
137.13297	1.3
139.07559	4.4
141.05489	1.5
141.07037	5.3
141.09103	2.3
142.07803	4.1
143.08575	14.8
144.09367	2.3
145.06546	1.4
145.10133	11.1
146.07306	1.6
147.08054	7.1
147.11697	7.7
149.06021	1.7
149.09630	11.9
149.13309	1.9
151.07541	6.4
151.14888	1.8
153.05527	1.4
155.08525	9.5
156.09363	3.7
157.06526	1.6
157.10115	16.8
158.07269	1.4
159.08125	4.2
159.11676	13.7
160.08887	1.7
161.09615	36.8
161.13292	3.3
162.10110	1.3
163.11160	2.9
165.05533	4.6
165.06918	1.3
165.09137	2.8
166.06342	2.1
167.07059	34.4
167.08586	3.8
168.07396	1.7
168.09370	2.1
169.10115	12.8
170.10843	2.0
171.11710	14.6
172.08888	2.2
173.09622	7.5
173.13351	4.8
174.10394	1.4
175.07581	1.7
175.11209	10.4
175.14816	2.2
177.09099	2.0
179.07112	1.2
179.08568	3.9
179.10771	2.1
180.09326	2.5
181.10153	6.7
182.10956	1.6
183.06535	1.3
183.08049	1.4
183.11690	8.4
184.08969	1.8
185.09601	15.7
185.13264	6.1
186.10181	1.5
187.11232	11.1
189.09198	3.3
189.12756	6.9
191.07056	1.9
191.08655	2.0
192.09428	1.7
193.08604	2.6
193.10213	6.0
194.10994	1.6
195.08128	3.3
195.11681	7.3
196.08791	2.3
196.12428	1.4
197.09671	4.1
197.13223	5.6
198.10349	2.2
199.11206	12.0
199.14891	1.8
201.12820	5.9
203.10780	2.4
205.08588	2.0
205.10347	2.8
205.12262	2.1
206.10847	2.9
207.10182	3.1
207.11858	5.8
208.12505	2.6
209.09616	3.9
209.13269	8.0
210.10390	1.9
210.13992	1.4
211.11223	5.3
211.14886	3.3
212.11975	1.7
213.12662	6.5
213.16508	2.0
215.10811	1.5
215.14355	2.1
217.12341	1.6
218.10954	1.5
219.11821	3.5
220.12627	1.5
221.09698	2.2
221.13367	6.8
222.10414	2.6
223.11333	4.9
223.14700	6.0
224.11998	1.5
225.12825	9.4
225.16476	4.2
227.14328	9.3
233.13426	3.3
234.14011	1.2
235.11298	2.3
235.14850	3.6
236.12024	4.5
237.12718	5.9
237.16408	2.6
238.13533	2.2
239.14386	8.1
241.15839	8.5
245.06721	1.2
245.13312	2.1
247.14851	3.5
249.12941	2.8
249.16438	3.7
250.13478	2.2
251.14268	15.2
251.16792	1.1
251.18062	2.4
252.14963	2.0
253.15834	17.1
254.16518	1.9
255.17561	2.1
259.14877	1.9
261.16623	1.7
263.14273	1.4
265.15945	6.7
267.17453	9.1
269.19055	5.8
273.18695	2.1
275.14563	1.4
277.15878	2.8
278.16290	1.2
279.17569	5.7
279.21091	1.5
287.20346	1.3
289.19675	3.2
291.17419	3.9
293.19122	3.5
303.17294	1.8
305.19055	4.4
306.19891	3.4
307.20547	41.4
308.21167	4.4
309.22339	2.9
311.20132	1.2
331.20389	1.9
333.18585	1.9
333.21811	5.9
347.26071	1.9
348.24435	7.7
401.28906	2.5
401.33887	2.0
405.24167	1.7
411.27332	2.3
411.32748	2.1
429.27988	14.7
429.33823	10.5
430.28693	2.1
430.34729	1.9
447.29099	100.0
448.29498	11.6
448.35242	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89454	1.1
51.02383	2.3
53.03949	8.8
55.01860	2.8
55.05516	11.5
62.48854	1.2
65.03931	2.5
67.05503	19.4
69.03434	5.1
69.07066	5.2
69.61371	6.3
71.04999	1.4
77.03920	2.8
79.05493	11.9
79.05923	1.7
81.03410	2.4
81.07056	17.0
83.04980	16.7
83.08607	2.2
84.05283	1.4
91.05476	22.1
91.06008	1.6
93.07047	29.9
95.04977	15.5
95.08608	41.2
96.08985	1.2
96.70712	1.0
97.06538	4.8
98.22631	2.2
99.04480	1.3
100.53657	1.3
103.05450	1.8
105.03396	100.0
105.04539	4.8
105.07032	27.9
105.07753	1.4
106.03730	2.5
106.07364	1.6
107.04967	1.7
107.08593	24.6
108.08949	1.7
108.95966	1.2
109.06525	5.1
109.10140	10.2
111.04437	8.3
111.08084	8.7
112.67007	1.2
113.06023	2.2
115.05462	3.0
117.07027	9.6
119.08586	25.3
121.06514	9.6
121.10122	13.2
123.08071	8.1
123.11742	2.3
125.05961	1.5
125.09597	1.5
128.06204	7.8
129.06995	10.8
130.07817	2.0
131.08563	22.3
133.06480	3.6
133.10123	23.9
135.08051	7.2
135.11720	7.7
137.05969	2.3
137.09576	1.6
139.07571	4.3
141.07005	4.9
141.09073	1.1
142.07829	8.5
143.08571	26.3
144.09306	2.6
145.06520	4.6
145.10123	19.5
146.10495	2.7
147.08076	8.6
147.11714	10.4
149.09625	4.6
149.13292	1.8
153.07077	2.4
154.07748	4.1
155.08562	14.1
156.09364	7.4
157.06575	7.5
157.10139	23.5
158.07245	2.1
158.10718	2.0
159.08040	12.9
159.11679	17.6
160.12129	1.6
161.06018	1.3
161.09631	10.9
161.13263	4.8
163.11203	3.2
165.06982	4.5
166.07741	1.3
167.08607	7.2
168.09244	2.6
169.06491	2.5
169.10170	13.7
170.07298	3.4
170.10870	5.1
171.08038	37.3
171.11674	13.7
172.08699	5.1
172.12325	1.8
173.09636	14.2
173.13252	7.2
175.11197	6.5
175.14880	1.6
177.09192	1.7
178.07805	1.8
179.08583	6.5
180.09302	4.4
181.10138	10.2
182.10794	3.1
183.08087	12.2
183.11673	15.6
184.08794	2.6
184.12225	2.2
185.09622	15.4
185.13263	16.3
186.10210	1.9
186.13637	1.2
187.07600	1.7
187.11180	15.3
187.14835	5.6
189.12717	6.3
191.14354	1.4
192.09378	2.6
193.10147	8.5
194.10889	3.8
195.08034	4.0
195.11674	13.4
196.08791	2.7
196.12350	2.4
197.09605	7.9
197.13254	11.9
198.10408	5.5
199.07576	1.8
199.11176	13.4
199.14854	4.9
200.11768	2.1
201.12772	14.0
202.13235	1.5
203.08559	3.2
203.10638	3.9
203.14217	2.8
204.09427	1.3
205.10167	3.9
205.12149	1.5
206.10861	2.7
207.08060	1.3
207.11656	10.1
208.08894	1.4
208.12360	3.0
209.09671	6.5
209.13202	10.4
210.10397	3.3
210.13698	1.7
211.11189	11.6
211.14767	4.8
212.11626	1.6
213.12746	56.5
213.16077	1.9
214.13185	3.9
215.10764	1.5
215.14311	14.2
216.09250	1.4
217.10060	3.4
217.15881	2.1
218.10808	3.5
219.11745	6.4
220.12399	2.7
221.09660	3.1
221.13303	9.3
222.10396	4.9
222.13968	2.5
223.11293	7.5
223.14809	6.6
224.11853	2.5
225.12759	17.2
225.16223	1.7
226.13124	2.1
227.10670	4.0
227.14313	17.0
229.10251	1.3
229.15831	6.1
231.11638	4.4
231.13768	2.6
232.12370	2.2
233.09703	1.6
233.13203	5.5
233.15382	2.2
234.13850	2.6
235.11162	3.6
235.14841	5.8
236.11920	2.2
236.15405	1.8
237.09280	1.3
237.12764	8.6
237.16420	3.9
238.13255	2.0
239.10605	1.4
239.14333	6.0
241.12253	4.4
241.15906	2.3
243.11668	2.3
243.13968	1.3
245.13272	5.2
246.13921	3.0
247.11130	1.5
247.14806	8.2
248.11899	1.8
248.15570	2.0
249.12761	5.0
249.16409	5.2
250.10426	1.2
250.13376	1.3
251.10652	1.6
251.14308	7.6
251.18069	1.8
253.12276	10.9
253.15741	4.5
255.17438	2.0
257.13104	2.3
259.14795	2.2
260.15561	1.8
261.12756	3.4
261.16345	5.1
263.14471	5.3
263.17871	3.2
264.14758	1.9
265.12308	1.7
265.15897	6.7
265.19540	1.3
266.16388	1.3
267.17471	2.2
269.19156	1.5
271.14676	1.4
273.12738	1.6
273.16019	2.7
275.14340	2.6
275.17877	2.8
276.14746	1.3
277.15836	4.9
277.19189	1.4
278.16632	1.6
279.13873	2.7
279.17487	5.3
279.21021	2.3
281.19016	1.7
282.05118	1.9
283.14560	1.6
287.14471	2.3
287.17883	3.0
289.15826	3.7
289.19452	4.9
290.16425	1.5
290.19702	1.4
291.14233	1.5
291.17398	2.8
291.20612	2.2
292.17963	1.8
293.15494	2.6
293.18839	4.3
297.07553	3.4
303.17322	1.9
305.15390	2.9
305.18973	7.3
306.19537	2.6
307.16846	3.6
307.20511	16.1
308.20950	1.6
309.18555	1.6
309.22025	2.2
315.17444	2.2
315.21072	1.7
317.18665	2.3
319.20636	3.3
325.21591	1.7
330.19717	1.8
330.23315	1.8
331.20502	2.6
333.18750	5.3
333.21982	6.2
335.20187	2.6
341.19009	1.4
345.21918	1.4
359.23672	1.7
369.21954	1.5
373.25281	2.7
377.24976	1.3
387.23138	4.7
401.24326	3.3
401.28311	4.4
403.26212	1.7
405.23969	2.7
411.22723	3.5
411.27066	3.8
419.30130	5.7
429.23706	11.2
429.27899	18.0
430.28519	2.2
447.10669	1.6
447.24869	41.3
447.29156	41.2
448.25388	5.8
448.29620	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.3
55.01886	6.1
55.05513	11.8
57.03422	1.5
57.07084	2.5
63.64865	1.1
65.03936	2.8
67.05507	19.8
69.03426	4.8
69.07061	11.9
69.63065	5.4
71.04955	1.5
79.05494	24.4
80.05791	1.1
81.03403	1.5
81.07058	36.4
83.04975	13.2
83.08624	4.9
88.35325	1.2
91.05476	37.6
93.07044	42.3
94.07368	1.0
94.45013	1.2
95.04971	9.6
95.08039	2.3
95.08611	34.2
97.06550	8.8
98.22614	1.1
99.04491	1.5
103.05503	2.3
105.03390	2.9
105.04503	2.1
105.07040	48.6
107.04983	5.7
107.08595	35.6
108.08913	1.6
109.02885	10.3
109.06519	19.1
109.10164	13.4
111.04443	4.9
111.08078	7.3
115.05480	4.5
116.06255	2.3
117.07019	16.9
119.04948	1.5
119.08581	46.6
121.06496	13.8
121.10152	14.8
123.08072	7.8
123.11709	4.9
125.05958	1.5
128.06215	10.1
129.07002	19.3
130.07790	5.2
131.04912	1.5
131.08568	44.6
132.05710	1.3
132.09352	2.1
133.06487	7.0
133.10132	32.2
134.10513	1.3
135.08057	32.5
135.11707	5.1
137.05980	21.3
137.09616	3.1
139.07492	7.0
141.06990	9.5
142.07765	14.2
143.08574	36.7
144.05731	2.0
144.09299	5.0
145.06482	8.4
145.10129	45.7
146.07253	1.7
146.10721	2.4
147.08052	21.1
147.11697	14.2
149.09612	8.1
149.13284	3.3
152.06117	1.5
153.06981	3.9
154.07793	2.5
155.07243	1.3
155.08548	21.2
156.09344	13.0
157.06529	4.0
157.10129	45.1
157.11426	2.3
158.07285	3.9
158.10823	4.9
159.08061	30.3
159.11691	29.7
160.08859	3.6
160.12242	1.2
161.09618	24.9
161.13284	9.4
161.14549	1.2
163.11194	4.9
165.07021	5.2
166.07797	2.5
167.08528	8.8
168.09326	4.4
169.10115	24.4
170.10922	8.9
171.08035	9.1
171.11685	27.0
172.08859	7.9
172.12311	2.4
173.09644	23.0
173.13263	20.9
174.10429	2.0
174.13603	1.1
175.07576	1.6
175.11209	17.7
175.14822	4.1
177.09196	1.4
177.12772	1.4
178.07837	1.7
179.08588	6.8
180.09309	4.2
181.10094	12.1
182.10883	7.1
183.08089	7.9
183.11682	21.3
184.08812	2.0
184.12453	2.4
185.09639	17.7
185.13257	25.3
186.10399	3.3
186.13985	1.4
187.11188	22.2
187.14806	13.0
188.11786	1.4
189.12746	18.0
189.16414	2.1
190.13130	2.4
191.08644	1.6
191.10713	2.2
191.14346	2.9
192.09276	2.4
193.10123	8.6
194.10950	5.2
195.08054	3.5
195.11679	13.9
196.08852	2.3
196.12485	3.6
197.09636	6.7
197.13254	18.8
198.10396	6.4
198.13808	2.9
199.11180	15.1
199.12883	1.5
199.13222	1.4
199.14809	10.3
200.11798	2.0
201.09038	1.6
201.12738	28.8
201.16306	5.3
202.13367	2.2
203.08685	2.7
203.10526	1.8
203.14290	12.1
205.10260	2.7
205.12332	1.6
206.10916	4.5
207.11688	8.7
208.08949	1.3
208.12360	2.3
209.09711	3.8
209.13231	15.5
210.10361	1.8
210.13960	1.7
211.11272	7.3
211.14806	15.5
212.11989	3.9
213.12761	31.1
213.16298	10.5
214.13197	2.5
215.10941	1.5
215.14313	39.8
216.14700	2.8
217.10161	2.8
217.12308	7.2
217.15816	8.6
218.10844	3.0
219.11685	4.8
219.13828	3.0
220.12421	1.9
221.09560	1.7
221.13239	7.9
222.10411	2.0
223.11224	5.4
223.14775	8.4
224.11852	2.7
225.12782	13.1
225.16362	3.6
227.14319	29.3
227.17862	1.7
228.14818	1.8
229.12276	4.5
229.15857	17.6
230.10988	2.4
231.11676	5.5
231.13855	15.7
231.17448	1.5
232.12274	2.8
233.13234	7.9
233.15366	2.2
234.13940	2.4
235.11191	1.5
235.14880	7.3
236.11821	1.8
237.12735	4.9
237.16443	5.9
239.14240	7.2
239.17923	1.9
241.15971	6.6
243.11649	1.9
243.13882	2.9
243.17625	1.7
244.12508	2.1
245.13269	6.8
245.15486	4.5
246.13968	2.8
247.14818	5.3
247.17076	1.4
248.15529	1.4
249.12840	2.1
249.16351	6.8
250.17099	1.6
251.14311	5.8
251.17981	4.4
253.15866	7.2
255.17462	2.7
257.13129	1.7
257.15454	1.7
259.14865	3.6
259.17203	2.0
261.12741	1.8
261.16443	4.7
263.14264	3.1
263.17969	3.8
265.15958	4.5
265.19510	1.8
267.17465	5.2
271.06049	2.1
273.16425	4.3
274.17242	1.8
275.14520	1.4
275.17944	3.3
277.15906	3.2
277.19482	3.4
279.17438	5.4
281.19006	2.9
287.14764	1.3
287.17883	3.4
288.18741	3.9
289.19376	2.8
291.17471	3.8
291.21103	10.7
292.21686	2.5
293.18961	3.7
293.22659	4.5
295.20374	1.5
301.19501	2.9
305.18976	4.6
306.19540	2.0
307.20499	9.2
308.20920	1.6
309.18652	1.5
309.22031	15.8
309.25247	1.5
310.22678	1.8
311.20248	3.0
315.21155	6.2
317.19012	1.6
319.20529	2.6
321.21896	1.3
327.20914	1.4
329.22659	1.7
330.23386	9.9
331.24097	2.8
333.22040	5.6
335.20081	1.5
335.23816	2.7
345.22171	1.5
347.23593	8.2
348.24551	3.3
351.23343	2.7
355.20297	1.8
355.24283	1.6
359.20004	1.9
363.22882	1.2
369.22012	2.4
373.21378	2.3
373.25327	3.6
383.27487	1.2
384.28586	1.2
387.23203	3.3
401.28503	11.6
403.29950	2.5
405.24097	2.8
411.26730	10.9
412.27188	1.6
419.29514	5.2
429.27896	51.8
430.28192	8.1
447.28961	100.0
448.29352	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
55.01873	1.6
55.05517	7.1
57.03450	1.4
57.07058	1.4
61.71618	0.9
65.03938	1.0
67.05512	13.5
69.03430	2.9
69.07072	5.7
69.34949	3.1
69.35363	2.2
71.04993	1.0
79.05499	6.5
81.07064	10.5
83.04977	6.1
83.08614	2.0
91.05464	9.4
93.07053	17.7
95.04983	4.7
95.08611	23.7
97.06550	2.3
98.15179	1.1
98.23428	1.4
105.07040	15.4
107.04958	0.9
107.08597	12.3
109.06512	4.5
109.10140	7.9
111.04444	3.1
111.08089	6.6
113.06003	1.1
115.05428	1.5
117.07033	4.0
119.08582	16.1
120.08838	0.9
121.06520	3.8
121.10148	9.0
123.08076	10.0
123.11734	2.2
125.09642	1.9
128.06235	1.7
129.07002	5.1
131.08572	9.9
133.06529	1.0
133.10136	7.5
135.08067	4.4
135.11682	4.7
137.05992	1.2
137.09608	1.4
139.07565	2.8
141.06990	3.6
141.09041	1.2
142.07791	5.6
143.08571	8.1
144.09343	1.0
145.06471	2.8
145.10158	9.6
146.10631	1.0
147.08052	3.5
147.11668	5.8
149.02322	2.2
149.09631	3.7
149.13286	1.9
151.11122	1.4
155.08569	7.4
156.09363	5.2
157.10130	16.3
158.10558	1.0
159.08087	2.8
159.11705	7.7
161.09639	8.0
161.13272	3.3
163.11259	4.2
165.07062	1.4
165.12743	1.1
166.07834	1.1
167.08586	4.6
168.09357	2.7
169.10121	13.0
170.10957	1.1
171.08096	2.1
171.11697	10.9
172.12068	0.9
173.09630	4.1
173.13293	5.6
174.10388	0.9
175.11191	7.9
175.14815	1.1
177.12782	1.4
178.07817	1.5
179.08514	6.1
180.09338	3.1
181.10115	11.3
182.10843	3.2
183.08078	2.6
183.11691	11.1
184.08763	1.0
184.12314	1.5
185.09630	4.3
185.13196	5.0
187.11180	5.5
187.14839	2.2
189.12770	6.3
191.14433	2.0
192.09343	2.2
193.10155	11.5
194.10844	4.8
195.08080	1.3
195.11687	11.4
196.12398	3.4
197.09596	6.0
197.13304	8.7
198.13727	1.2
199.11200	10.5
199.14870	4.6
200.11644	1.0
201.12735	7.5
203.14191	1.2
205.10225	2.8
205.12233	0.9
206.10919	3.9
207.11694	9.7
208.12541	4.9
209.09705	4.6
209.13283	18.3
210.10439	4.9
210.13959	2.6
211.11244	12.3
211.14719	7.5
213.12741	5.4
213.16235	0.9
215.14381	3.2
217.10188	2.3
218.10979	2.2
219.11708	5.1
220.12495	3.9
221.09813	1.1
221.13240	13.8
222.10419	1.7
222.13914	2.2
223.11356	6.9
223.14813	18.4
224.11864	1.3
225.12790	9.6
225.16422	3.9
227.14412	5.2
229.15855	1.1
230.11005	1.1
231.11728	4.5
232.12485	2.0
233.13275	8.2
234.14026	3.8
235.11153	3.0
235.14828	10.8
236.11974	2.4
236.15457	1.3
237.12701	9.0
237.16380	5.3
239.14339	8.9
239.18086	1.4
241.15843	5.7
245.13196	5.3
246.14113	1.9
247.14783	7.5
248.15497	2.6
249.12822	4.1
249.16382	6.7
250.13562	1.8
250.16959	0.9
251.14326	27.3
251.17903	2.5
252.14870	1.6
253.15877	29.8
254.16385	1.4
255.17374	4.6
257.13339	1.3
259.14853	3.4
261.12708	1.4
261.16370	4.8
262.17142	1.5
263.14288	7.6
263.17923	5.8
264.15027	1.7
265.15881	14.3
265.19217	1.8
267.17429	7.7
268.17886	1.1
269.19058	1.7
271.05984	16.9
272.06384	1.1
273.16440	3.2
274.16934	1.5
275.14294	2.8
275.17914	3.5
276.15210	1.4
277.15967	6.3
277.19479	2.7
278.16275	0.9
279.17508	9.8
281.19083	2.4
285.16299	1.3
287.17871	2.4
288.18692	1.2
289.16101	2.1
289.19504	5.8
290.20184	1.2
291.17474	7.9
291.20880	2.1
293.18826	5.1
303.17480	2.6
304.18027	1.1
305.19003	12.6
306.19797	1.9
307.20547	20.9
308.21152	2.7
309.22186	3.0
315.21152	3.0
317.19006	1.9
317.22525	1.7
319.20517	4.7
321.22183	1.3
330.23444	1.2
331.20557	3.2
333.22125	23.2
334.22580	2.1
335.20157	1.2
335.23752	3.5
341.22775	1.3
345.22150	1.1
347.23825	1.7
348.24432	1.3
351.23212	1.6
359.23862	1.2
383.27213	1.1
387.23038	6.1
387.27295	1.1
401.28540	7.8
402.28842	1.2
405.24057	2.8
405.28152	3.0
411.26773	8.1
412.27267	1.0
419.29526	2.4
429.27936	58.2
430.28329	8.1
447.28976	100.0
448.29306	12.7
460.45724	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.01875	2.5
55.05511	10.5
59.36816	1.3
60.55330	1.3
62.58236	1.1
62.63760	0.9
65.03949	1.8
67.05501	16.9
69.03442	3.1
69.07077	8.7
69.11942	7.5
69.12340	2.2
71.04992	1.6
77.65890	0.9
79.05485	12.2
81.07056	17.4
83.04990	9.6
83.08627	3.1
91.05473	15.1
93.07051	28.2
95.04989	4.7
95.08606	34.0
96.08950	1.2
97.06544	4.3
97.10159	1.8
97.70874	0.9
103.05470	1.3
105.03405	1.4
105.07034	26.0
107.08600	21.2
107.09293	1.7
109.06555	7.3
109.10144	11.6
111.04478	3.0
111.08074	7.2
112.08385	1.1
113.06100	1.8
115.05457	2.2
117.07018	5.9
119.08585	21.3
120.08893	1.2
121.06529	4.6
121.10147	10.8
123.08060	9.3
123.11767	3.3
125.09698	2.3
125.41901	1.1
128.06259	4.7
129.06960	6.4
130.07822	1.2
131.08565	9.8
133.06532	1.1
133.10132	17.2
135.08047	35.6
135.11671	7.1
136.08398	1.4
137.09676	1.5
139.07550	3.0
141.07047	4.4
141.09178	3.4
142.07779	6.2
143.08563	11.2
145.06523	2.0
145.10141	13.0
146.07306	4.0
147.08017	6.8
147.11685	8.2
149.09608	13.4
149.13286	2.7
153.07043	2.9
154.07825	2.3
155.08549	10.4
156.09344	5.1
157.06520	2.3
157.10117	16.8
158.07343	1.1
158.10706	2.0
159.08063	5.7
159.11655	12.5
160.08907	2.7
161.09627	37.2
161.13312	4.3
163.11235	4.3
165.06964	6.3
166.07724	2.0
167.08549	8.6
168.09399	3.6
169.06470	1.9
169.10136	15.0
169.11290	1.3
170.10883	2.6
171.08153	3.2
171.11685	11.3
172.08896	2.7
173.09657	8.5
173.13264	6.3
174.10353	1.4
175.11165	13.2
175.14893	2.3
177.12769	2.0
178.07828	1.9
179.08505	7.5
179.10715	1.8
180.09315	2.6
181.10091	15.2
182.10860	3.2
183.08150	4.0
183.11671	12.2
184.08766	2.5
185.09650	17.6
185.13225	7.7
186.10205	1.2
187.11165	11.4
187.12453	1.0
189.12730	7.5
191.08669	3.2
192.09416	4.5
193.10141	12.1
194.10974	5.6
195.08131	4.5
195.11707	11.7
196.08865	2.1
196.12436	3.1
197.09602	8.3
197.13274	8.6
198.10477	1.6
199.11179	18.6
199.14917	2.1
200.11839	1.7
201.12772	8.2
202.13223	1.2
203.08711	1.0
203.10594	1.3
203.14394	1.7
204.09337	2.0
205.10202	4.8
206.10893	4.2
207.11713	10.6
207.13721	1.7
208.08899	2.8
208.12468	5.2
209.09647	11.9
209.13202	13.3
210.10414	8.1
210.13812	2.3
211.11224	12.3
211.14726	5.1
212.11809	2.4
213.12746	9.9
213.16461	2.1
215.14450	2.7
217.10181	2.6
218.10970	2.9
219.11661	6.5
220.12483	3.4
221.09682	3.9
221.13222	14.0
222.10425	3.3
222.13904	2.2
223.11223	15.3
223.14769	11.6
224.11969	4.5
225.12767	16.0
225.16374	2.6
226.13327	1.5
227.10825	1.5
227.14294	12.7
229.15918	1.4
231.11751	3.8
232.12518	3.8
233.09705	1.2
233.13214	9.1
234.14003	1.7
235.11125	5.9
235.14772	5.9
236.12006	8.1
236.15466	1.7
237.12711	12.9
237.16515	4.2
238.13490	2.8
239.14296	10.7
239.17917	1.6
241.12364	1.6
241.15869	11.8
244.12415	1.1
245.13171	5.5
246.14171	4.1
247.14803	7.3
248.11919	1.7
248.15462	1.7
249.12708	7.8
249.16327	5.5
250.13655	2.2
251.14296	36.2
251.18137	1.8
252.14876	2.8
253.12141	2.4
253.15865	23.3
254.16306	2.0
255.17575	3.6
259.14929	3.0
259.17435	1.5
260.15717	1.2
261.12909	2.7
261.16455	4.7
262.13641	2.0
263.14423	8.7
263.17719	2.1
264.15118	3.8
265.15869	19.6
265.18875	1.9
266.16376	2.1
267.17453	15.3
269.19113	4.8
273.16354	2.6
274.17139	1.6
275.14520	1.6
275.17987	3.6
276.15274	1.8
277.15909	5.8
277.19308	1.5
279.17471	14.8
280.18097	2.0
281.19241	3.0
287.17996	2.8
289.16129	2.6
289.19629	7.3
290.16602	2.2
291.17578	7.3
291.20898	2.1
292.18121	1.9
293.19022	6.3
303.17615	4.9
305.19003	12.8
305.22296	1.4
306.19675	3.3
307.17181	1.8
307.20526	49.1
308.20898	5.0
309.22217	2.9
315.17648	1.4
315.21063	1.5
317.19247	2.6
319.20554	6.5
323.20392	1.8
331.20493	5.3
333.18430	2.3
333.22095	17.6
334.22787	1.3
335.23776	1.6
345.22247	1.9
347.23825	2.9
348.24518	1.6
359.23874	1.3
369.22064	1.5
371.24167	1.3
387.22916	5.2
401.28629	8.2
405.24408	4.0
411.26978	8.1
412.27655	1.4
419.29681	3.1
429.28003	43.9
430.28323	4.7
447.29111	100.0
448.29617	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24410	1.3
53.03941	2.2
55.01868	3.4
55.05510	16.9
57.07059	2.2
65.03945	2.5
67.05508	17.2
69.03424	4.7
69.07071	14.6
69.15048	6.1
69.15459	5.9
71.96792	1.4
72.89292	1.5
73.92431	1.3
79.05497	13.9
81.07053	18.2
83.04983	33.2
83.08608	5.3
85.71976	1.4
91.05475	19.1
91.06020	2.2
93.07047	27.7
95.04974	8.0
95.08604	33.4
97.06509	6.0
97.10197	1.8
98.23434	1.7
99.04411	1.7
103.05444	2.0
105.07028	25.3
107.04967	1.7
107.08601	24.9
109.06523	4.3
109.10161	13.8
111.04447	20.8
111.08077	8.4
113.05978	3.4
115.05440	3.3
117.07012	8.0
119.08591	23.3
121.06513	10.3
121.10142	15.8
123.08083	8.8
125.09689	2.9
128.06230	6.1
129.06998	8.9
130.07765	4.8
131.08580	18.1
133.06488	2.0
133.10130	17.7
135.08060	11.6
135.11674	7.5
137.05952	2.2
137.09645	2.5
139.07539	1.7
141.07001	6.6
142.07791	7.6
143.08549	17.4
144.09343	2.0
145.06493	6.1
145.10121	28.5
147.08049	8.6
147.11707	14.8
149.09639	7.0
149.13380	1.9
151.11200	3.0
153.06975	2.4
155.08534	12.2
156.09325	7.4
157.06575	2.1
157.10132	33.6
158.10789	2.2
159.08093	9.5
159.11684	20.0
161.09622	12.2
161.13271	5.6
163.11191	12.3
165.07040	2.3
166.07718	1.9
167.08559	8.9
168.09375	5.4
169.10103	22.7
170.10884	4.3
171.08092	7.3
171.11694	21.6
172.08829	2.8
172.12314	1.6
173.09637	10.7
173.13237	11.6
175.11206	12.4
177.12714	3.0
178.07806	2.9
179.08606	8.2
180.09319	4.2
181.10101	15.8
182.10948	7.3
183.08057	2.6
183.11684	23.6
184.08861	2.3
184.12320	4.8
185.09578	10.0
185.13237	12.6
186.10434	2.3
187.11188	13.8
187.14792	5.0
189.12700	9.5
191.08591	2.5
191.14282	1.6
192.09308	4.0
193.10118	14.1
194.10930	5.5
195.08017	2.9
195.11693	26.0
196.08725	1.9
196.12457	3.6
197.09592	8.3
197.13248	15.9
198.10258	3.0
198.13887	2.2
199.11177	21.7
199.14787	7.1
200.11871	2.3
201.12743	24.8
203.08694	1.7
203.14348	3.0
204.09473	1.9
205.10104	4.4
206.10941	6.1
207.11723	21.3
207.13690	2.3
208.12427	5.6
209.09619	4.9
209.13264	20.7
210.10461	2.2
210.13962	3.2
211.11259	9.7
211.14761	13.5
212.11732	2.4
212.15451	1.7
213.12770	20.3
213.16080	2.7
215.14291	9.3
217.10097	3.9
217.12158	2.0
218.10889	4.4
219.11719	9.1
219.13667	2.8
220.12421	7.3
221.09787	1.6
221.13232	19.9
222.14003	5.5
223.11281	10.0
223.14803	14.0
224.15384	1.6
225.12766	13.4
225.16438	5.2
227.14246	12.6
229.15843	17.4
231.11772	3.4
231.13864	2.0
232.12411	5.0
233.13277	13.2
234.14008	4.1
235.11168	3.6
235.14824	12.3
236.11954	4.2
236.15504	4.1
237.12764	15.6
237.16254	8.7
238.13455	1.8
239.14398	11.8
241.15916	9.7
243.11728	2.6
244.12468	3.4
245.13260	6.0
245.15485	1.9
246.14052	5.9
247.14832	13.5
247.17001	2.2
248.15540	3.4
249.12717	6.1
249.16469	13.3
250.13409	1.8
250.17007	2.6
251.14265	11.9
251.18092	4.8
253.15866	14.5
254.16379	2.0
255.17429	44.7
256.17905	3.2
257.13144	2.0
258.14011	2.3
259.14828	5.8
260.15497	2.7
261.12778	2.6
261.16422	10.0
263.14334	8.7
263.17932	11.3
264.15128	2.5
265.15915	15.6
265.19360	2.2
267.17419	10.7
269.18863	3.5
271.14764	3.0
273.12564	1.8
273.16290	7.6
274.17105	2.8
275.14288	4.6
275.17920	6.7
277.15881	10.3
277.19479	4.8
278.16592	4.0
279.17459	34.7
279.20712	3.4
280.17929	2.1
281.18985	18.0
282.19373	2.4
287.17996	3.8
288.18671	2.5
289.15878	4.6
289.19531	10.7
291.17490	11.6
291.21002	4.6
292.18143	3.4
293.18848	9.6
295.17053	3.4
295.20468	2.9
297.18524	4.1
301.19583	3.5
303.17474	3.5
303.21201	3.7
305.19113	9.4
306.19724	2.9
307.17123	1.7
307.20538	43.9
308.21152	5.1
309.22153	2.8
311.20392	2.0
313.19598	1.8
315.17566	2.0
315.21109	6.4
317.18982	3.5
317.22620	2.4
319.20575	4.9
319.24228	2.1
321.22211	8.6
329.18979	2.9
329.22614	2.7
330.23401	2.6
331.20609	5.0
333.22092	24.5
334.22607	3.1
335.23788	5.9
337.25333	6.9
345.21881	3.5
347.23764	6.9
348.24408	10.5
351.23221	2.3
355.20551	3.3
359.19769	2.7
371.23630	2.7
373.21454	3.8
373.25555	3.7
387.23026	8.4
391.22601	2.3
401.28662	10.6
405.24237	3.8
411.26694	10.3
419.29745	3.1
429.22015	3.3
429.27872	66.0
430.28293	10.7
447.28961	100.0
448.29163	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
54.77053	0.8
55.01870	2.4
55.05511	9.7
55.45393	0.9
57.03439	1.3
57.07075	2.3
64.58044	0.8
65.03944	1.8
67.05503	14.2
68.06625	0.8
69.03425	2.2
69.07072	5.1
69.12682	5.0
69.13081	2.2
69.64263	0.8
79.05492	9.6
81.03444	1.0
81.07059	12.9
83.04980	15.2
83.08627	3.1
83.76688	0.9
85.06563	0.9
85.78572	1.1
91.05475	16.8
91.15999	0.8
93.07046	22.1
95.04961	7.3
95.08607	25.8
96.08913	0.9
97.06536	4.7
97.10188	0.9
99.04509	1.3
103.05458	1.0
105.03381	7.5
105.04496	0.9
105.07029	19.7
107.04955	0.9
107.08594	18.3
109.06503	4.0
109.10145	9.7
110.10541	0.8
110.48467	0.8
111.04453	9.8
111.08064	6.4
113.06010	1.8
114.04404	0.8
115.05470	2.8
117.07003	6.8
119.08576	22.1
120.08926	0.9
121.06476	6.3
121.10152	10.4
122.60921	0.9
123.08058	8.0
123.11742	2.0
124.00135	0.9
125.09689	1.4
128.06242	3.4
129.07022	6.3
130.07814	1.6
131.08571	14.0
133.06540	3.3
133.09183	1.7
133.10124	16.2
133.11053	1.3
135.07059	1.6
135.08052	16.1
135.11691	6.4
137.06020	1.6
137.09680	2.0
139.07559	2.3
141.07027	3.2
141.09068	1.2
142.07785	6.6
143.08556	15.4
144.09302	1.8
145.01842	0.9
145.06499	3.7
145.10110	18.6
146.07320	1.2
146.10956	0.9
147.08035	5.4
147.11696	9.1
149.09593	8.5
149.10522	0.9
149.13313	1.6
151.11192	1.6
153.07030	2.2
153.09059	1.1
154.07715	1.7
155.08546	8.8
156.09334	5.5
157.06558	1.2
157.10120	25.3
158.07291	1.6
158.10878	1.3
159.08043	8.0
159.11676	11.2
159.20396	0.9
160.08836	1.1
161.09621	16.3
161.13260	4.3
163.11180	5.3
165.07043	2.9
166.07730	1.1
167.08542	4.8
168.09361	3.8
169.10126	14.4
170.10913	3.1
171.08099	3.1
171.11693	15.5
172.08904	2.4
172.12343	1.1
173.09612	8.0
173.13292	6.0
175.11188	7.5
175.14847	1.7
177.09119	1.0
177.12717	1.1
179.08530	4.1
180.09337	3.4
181.10097	9.4
182.10965	3.0
183.08069	1.8
183.11693	15.5
184.08804	1.4
184.12421	1.5
185.09650	9.9
185.13257	10.0
186.10291	1.3
187.11176	11.1
187.14865	3.0
189.12706	5.4
192.09335	2.7
193.10161	8.9
193.12125	1.4
194.10834	4.2
195.08063	1.4
195.11682	13.4
196.12425	2.8
197.09639	5.1
197.13248	10.3
198.10396	1.9
198.13956	1.2
199.11186	13.2
199.14815	6.5
200.11957	1.7
201.12762	9.8
203.08652	1.5
203.10658	0.9
203.14346	2.0
205.10194	3.2
206.10915	3.7
207.11674	12.4
208.12444	3.2
209.09691	2.6
209.13248	13.1
210.10233	1.7
210.13890	1.3
211.11153	5.5
211.14787	7.2
212.11830	2.1
212.15417	1.6
213.12746	8.1
213.16283	1.7
215.14378	3.5
217.10158	2.0
218.10953	2.6
219.11729	5.7
219.13692	1.7
220.12552	3.7
221.09676	1.3
221.13251	12.6
222.10667	1.1
222.13960	2.9
223.11215	6.4
223.14754	8.3
224.11981	2.0
224.15433	1.2
225.12735	8.3
225.16403	3.7
226.13403	1.3
227.14299	13.3
229.10181	1.1
229.15947	6.7
230.10930	1.2
231.11768	3.1
232.12463	3.4
233.13246	6.4
234.14102	2.4
235.11194	2.6
235.14787	9.8
236.11929	2.2
236.15382	1.3
237.12718	5.9
237.16328	6.4
238.13481	1.8
239.14317	7.0
241.15913	6.5
243.11766	0.9
244.12407	1.7
245.13312	3.7
245.15376	2.0
246.14041	2.7
247.11142	1.5
247.14813	6.5
248.12036	1.8
248.15500	2.7
249.12756	2.9
249.16449	6.7
250.13524	1.5
251.14281	8.6
251.18045	3.2
253.15930	8.3
253.19539	1.6
254.16425	1.1
255.17427	6.8
257.13278	1.6
259.14789	4.5
261.13016	1.7
261.16400	5.5
262.17249	1.4
263.14352	4.2
263.17902	5.7
264.15222	1.5
265.15952	8.1
265.19620	2.5
267.17392	7.0
269.18994	2.2
271.14706	1.5
272.15521	1.2
273.16360	2.7
274.17157	2.3
275.14359	2.4
275.17917	3.1
277.15955	5.0
277.19568	3.1
279.17459	10.2
279.20914	1.4
281.18942	4.0
286.17252	1.0
287.17755	4.1
289.15979	2.6
289.19614	5.1
290.16592	1.5
290.19928	1.4
291.17468	5.5
291.21121	2.6
293.18942	4.7
295.17032	1.7
297.18567	2.5
303.17532	1.9
303.20996	1.9
305.19080	6.1
305.22449	1.8
307.20547	23.0
307.24115	1.4
308.21017	4.1
309.18884	1.6
309.22009	4.0
315.17291	1.3
315.21121	2.9
317.19168	1.6
317.22906	1.2
319.20673	3.2
319.24136	1.2
321.18655	1.1
321.22134	1.8
323.20227	1.2
327.20859	0.9
330.23413	1.8
331.20621	2.2
333.22083	12.2
334.22461	1.5
335.20096	1.2
335.23630	5.9
337.25397	2.6
345.22266	1.1
347.19949	1.3
347.23682	4.0
348.24478	5.1
351.23337	3.6
359.19739	1.0
359.23651	2.4
373.21548	2.5
373.25406	2.2
383.27585	1.2
387.23145	2.6
391.22476	1.0
401.28659	5.6
405.24268	2.5
411.26810	6.5
419.29459	3.2
429.27933	39.1
430.28354	4.2
447.28995	100.0
448.29324	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.9
55.01879	3.9
55.05512	11.8
57.03434	5.8
57.07084	2.7
60.24433	1.0
65.03960	2.3
67.05505	19.5
69.03450	3.1
69.07071	8.0
70.86987	2.3
71.05015	1.9
71.08649	1.3
79.05489	16.5
79.05906	1.5
81.07054	20.0
83.04978	10.9
83.08634	4.8
91.05475	19.7
91.05989	1.2
93.07044	28.4
93.07613	1.4
95.04961	7.8
95.08606	48.5
96.08939	1.6
97.02905	1.0
97.06526	6.5
97.10189	3.2
98.98465	6.6
99.04495	2.9
103.05507	1.9
105.03432	3.3
105.07023	25.5
105.07659	1.4
107.04958	2.0
107.08597	40.0
109.06548	4.7
109.10148	10.0
111.04440	7.2
111.08092	7.8
113.06043	1.8
115.05492	3.0
116.06224	1.4
117.07034	7.4
119.08574	29.6
121.06479	6.1
121.10138	17.5
121.10874	1.4
123.08071	8.8
123.11734	2.8
125.09660	1.5
128.06201	11.3
129.06993	8.2
130.07811	1.8
131.08563	18.9
133.06580	1.7
133.10123	25.0
133.11041	1.5
134.10910	1.7
135.08052	6.7
135.11699	8.1
136.99988	5.7
137.06023	2.3
137.09618	1.6
137.13329	1.6
139.07613	3.6
141.06990	5.8
141.09119	3.2
142.07779	11.5
143.08543	21.7
144.05731	1.6
144.09344	3.6
145.06464	6.8
145.10127	28.1
147.08023	7.7
147.11693	10.9
149.09634	2.3
149.13333	3.9
152.06270	2.2
153.07008	6.2
153.09108	1.3
154.07820	3.0
155.01112	4.8
155.08551	10.8
156.09337	7.3
157.06505	12.8
157.10126	19.5
158.07310	3.6
158.10915	2.4
159.08035	12.9
159.11700	21.5
161.09633	7.0
161.13297	4.0
163.11272	1.9
165.07030	6.6
166.06328	1.4
166.07779	1.9
167.07153	2.2
167.08640	9.4
168.05792	2.5
168.09393	3.2
169.06555	4.2
169.10107	12.3
170.07283	8.7
170.10895	7.4
171.08052	100.0
171.11668	9.9
172.08708	7.4
172.12497	1.5
173.09647	15.0
173.10938	1.3
173.13263	12.2
174.10229	2.2
174.13664	1.4
175.07692	1.2
175.11250	4.6
175.14902	2.5
179.08505	5.7
180.09369	1.4
181.06549	2.1
181.10115	6.9
182.07367	3.1
182.10931	3.8
183.08055	28.9
183.09560	2.0
183.11615	6.5
184.08803	4.2
185.09619	23.1
185.13196	12.9
186.10359	4.9
187.11185	13.5
187.14819	11.0
189.12811	4.8
191.10840	1.3
193.08743	1.1
193.10095	5.3
194.10898	1.9
195.08018	4.9
195.11723	7.6
197.09573	11.2
197.11728	1.3
197.13268	8.1
197.14706	0.9
198.10400	10.7
199.11201	12.0
199.12852	1.4
199.14941	2.8
200.11967	1.9
201.12724	20.5
201.14351	1.5
201.16536	4.0
202.13338	2.0
203.08926	1.1
203.10730	4.4
203.14435	4.0
204.09352	1.3
205.10197	1.8
206.11012	2.7
207.11800	3.9
209.09660	7.4
209.13231	9.0
211.11203	6.3
211.14777	5.5
212.11942	1.6
213.12743	96.5
214.13173	5.0
215.14299	34.1
216.14778	2.6
217.10207	2.4
217.15967	1.7
218.10995	3.2
219.11736	3.6
219.13779	1.9
220.12585	1.6
221.09705	1.3
221.13414	4.5
223.11229	5.0
223.14989	4.6
225.12753	18.1
227.14297	27.6
227.16347	1.8
229.15887	14.6
231.11751	3.0
231.13953	3.5
232.12511	1.7
233.13286	3.1
233.15465	4.9
235.11281	2.5
235.14998	2.4
237.12802	4.3
239.14453	4.4
241.15886	2.3
245.13359	3.2
246.13994	2.3
247.14844	5.0
247.17171	1.4
249.12784	2.5
249.16473	1.9
251.14261	7.2
255.17575	1.3
259.14960	3.1
261.12854	2.2
261.16440	1.4
263.14456	3.7
263.17917	1.7
265.15900	9.1
265.18564	1.1
267.17523	1.7
271.15036	1.3
273.16516	1.8
277.16101	2.1
277.19470	1.1
279.17987	1.2
279.21173	1.8
287.18033	1.8
289.16086	1.0
289.19644	3.2
291.17538	3.0
291.20901	1.6
293.19293	2.0
303.17682	1.7
305.19122	3.9
307.20547	10.6
309.22348	1.8
311.25980	4.7
315.21066	1.8
330.23410	1.2
333.22372	4.5
347.23788	2.8
365.21567	1.2
369.22290	1.8
373.25549	2.9
383.47455	1.1
387.23370	3.3
388.19098	1.1
401.28604	4.3
405.24420	2.8
411.26733	5.6
419.29706	4.6
429.27942	26.6
430.28528	3.3
447.24271	2.5
447.29269	40.8
448.29504	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77452	0.7
55.01871	0.9
55.05515	3.4
57.07079	0.7
67.05507	6.5
67.06630	0.6
69.03429	1.8
69.04639	5.9
69.07079	3.0
71.04998	0.9
79.05501	3.5
81.03421	1.1
81.07056	9.4
83.01348	1.4
83.04996	3.1
83.08602	1.1
85.02908	0.8
86.54589	0.6
91.05449	4.5
93.07056	4.8
95.04959	1.1
95.08611	10.8
95.09167	1.0
97.06554	1.2
97.10185	1.1
103.05437	0.6
105.07025	4.2
107.08570	3.1
109.06528	1.2
109.10184	3.5
111.04452	6.9
111.08094	1.0
111.11745	0.7
116.06257	0.7
117.07041	1.2
119.08563	3.7
121.06535	3.7
121.10143	1.8
123.04444	0.7
123.08073	11.5
123.11705	2.0
125.09639	0.8
128.06180	0.7
129.07028	1.2
130.07826	0.7
131.08560	5.6
133.10110	1.2
135.08055	10.9
135.11700	1.9
137.05952	1.4
137.13254	1.6
143.08571	1.2
145.10141	4.5
145.37370	0.6
147.08044	0.6
147.11674	0.9
149.02318	1.0
149.09610	5.2
151.07544	85.7
152.07874	2.7
158.07249	1.1
159.08058	6.8
159.11696	2.8
161.05984	1.9
161.09662	0.8
162.06752	3.0
163.07538	2.4
163.11192	6.3
165.09131	3.4
172.08841	1.3
173.09625	6.4
175.07518	1.2
175.11247	1.3
176.08337	8.9
177.09114	64.9
177.12460	1.4
178.09425	2.0
183.11769	0.8
187.11165	2.7
189.09050	0.9
190.09866	4.0
191.10672	100.0
192.10986	4.3
205.12242	61.6
206.12561	2.7
209.10233	0.6
209.13350	0.8
217.05212	0.7
219.13817	4.7
223.84529	0.7
233.15276	0.7
287.05383	1.0
303.04984	0.9
307.16751	0.7
309.24646	0.9
355.22583	1.2
355.98059	0.7
401.30341	2.3
447.25467	3.1
447.30890	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01876	2.3
55.05272	2.2
55.05512	28.7
57.07081	16.0
59.43917	1.4
67.01869	2.0
67.05508	14.7
69.03439	3.3
69.07068	52.7
71.08644	8.5
79.05491	8.8
81.07063	27.0
82.07384	1.8
83.04979	11.2
83.08613	27.5
85.10197	3.8
91.05476	13.0
93.07044	15.9
95.04958	3.6
95.08611	28.2
97.06541	2.1
97.10163	13.4
98.23392	3.1
105.07024	12.0
107.04881	1.7
107.08600	11.4
109.06513	10.0
109.10152	16.1
111.04449	1.4
111.08089	4.5
111.11715	9.4
117.07029	2.4
119.08565	13.1
121.06516	5.9
121.10123	7.6
123.08067	5.5
123.11730	6.9
125.13334	3.7
129.07047	2.3
131.08588	4.8
133.06575	1.7
133.10170	6.7
135.08035	12.1
135.11673	3.7
137.05998	13.1
137.09602	3.8
137.13293	4.1
139.03975	1.7
139.07570	7.2
139.55409	1.5
141.05441	5.1
142.07745	1.9
143.08556	4.7
145.10057	7.2
147.08008	4.4
147.11739	3.2
149.05923	3.5
149.09639	4.5
151.07516	21.4
151.14851	1.8
153.05406	1.8
155.08527	3.0
157.10115	6.2
159.08099	4.4
159.11725	6.4
161.06032	4.5
161.09607	10.1
161.13165	3.2
163.07439	2.5
163.11174	2.2
163.14854	2.0
165.05490	11.8
165.09119	8.4
166.06303	1.6
167.07042	100.0
168.07404	2.5
169.10158	2.1
171.11702	4.3
173.09645	3.0
173.13196	1.8
175.07607	3.5
175.11206	6.2
177.09030	4.0
179.07024	3.8
179.08551	1.9
179.10667	4.3
181.08571	3.5
181.10085	2.2
183.06520	1.9
183.11691	3.1
184.12497	1.5
185.09615	5.3
185.13223	2.1
187.11205	5.3
187.14835	1.9
189.09155	4.4
189.12788	5.1
190.64185	1.7
191.07007	5.2
191.08615	1.9
191.10699	4.7
193.08606	7.2
193.10197	2.2
193.12245	1.7
195.11728	3.0
197.13289	3.9
199.11131	3.2
199.14810	1.9
201.12746	3.5
203.10684	4.4
205.08589	6.5
205.12131	2.6
206.10951	1.6
207.10078	12.5
207.11716	2.2
209.13240	2.4
211.11057	3.0
213.12700	3.5
215.10641	2.3
217.12178	1.8
219.10106	2.4
221.11749	5.3
223.11052	2.1
223.14859	2.0
225.12746	2.6
227.14272	1.9
235.13210	2.1
237.12616	2.4
239.14302	3.0
241.15836	2.3
251.14310	2.0
253.15956	1.7
259.20901	1.5
267.17380	2.3
271.06107	1.8
273.18579	1.7
277.18005	1.9
279.17810	2.0
291.19482	3.3
307.20499	6.3
347.25934	3.3
401.34012	8.9
411.32281	3.7
429.28024	3.8
429.33539	22.2
447.28775	20.3
447.34836	8.5
448.29404	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	23.8
57.07076	13.4
59.19020	1.7
60.61898	1.5
63.33094	1.7
67.01878	1.9
67.05515	6.2
69.07069	40.7
69.19247	1.8
69.29748	12.4
71.08641	5.8
81.07044	13.5
83.08622	20.6
85.10171	2.4
91.05480	3.7
93.07069	10.3
95.08611	11.7
97.10152	13.7
98.22611	3.9
105.07016	3.5
107.08607	2.3
109.06586	2.9
109.10165	6.6
111.11721	4.8
121.06569	3.2
121.10120	2.0
123.08028	2.7
123.11713	5.3
125.13335	3.0
131.08588	2.8
135.23270	1.7
137.05948	12.8
139.07564	5.0
141.05482	3.4
147.08023	2.4
149.05995	5.7
151.07529	23.4
159.08047	4.0
161.06013	3.8
161.09552	2.3
165.05470	9.9
165.09129	6.0
167.07039	100.0
168.07445	3.8
173.09756	1.9
175.07626	5.5
177.09163	2.9
179.07101	5.5
179.10750	2.1
180.85001	1.7
181.08612	4.6
189.09163	6.0
191.07045	6.2
193.08646	7.1
203.10786	4.1
205.08643	7.9
205.12259	2.7
207.10124	9.3
215.10776	2.2
217.12401	1.8
219.10106	2.9
221.11739	5.2
233.11778	3.0
235.13606	2.2
291.19641	1.8
347.25906	3.2
429.33499	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.347
Annotation	Di-n-decyl phthalate
Peak:m/z	Relative Intensity
55.01863	0.4
55.05517	1.5
57.07082	7.5
62.15496	0.3
67.01846	0.4
67.05512	1.0
69.03434	0.5
69.07057	1.0
70.75819	0.3
71.08637	4.3
79.05488	0.7
81.07055	1.4
83.01347	0.8
83.04991	0.9
83.08633	0.6
85.10195	1.6
91.05492	0.7
93.07053	1.3
94.88366	0.3
95.01317	2.5
95.04983	0.5
95.08605	1.2
97.06530	0.5
97.10172	0.5
99.00822	12.4
99.01457	0.8
99.04472	2.0
105.03366	0.5
105.07034	0.7
107.05006	0.7
107.08611	0.9
109.02893	1.0
109.06544	0.5
109.10159	0.9
111.04414	0.3
113.02364	2.8
117.01855	1.3
119.08599	0.8
121.06519	0.6
121.10197	0.6
123.04429	0.5
123.08068	0.6
125.06008	1.3
131.08578	0.6
135.04420	1.4
135.08076	1.3
137.05988	1.1
139.07565	0.8
145.10130	0.6
149.06050	1.4
149.09589	0.5
151.07597	0.9
153.05473	3.9
159.07993	0.4
159.11713	0.4
160.02121	0.3
163.07578	2.5
163.11186	0.5
165.09081	0.4
167.07065	1.5
169.05070	0.3
176.08301	0.4
177.05554	0.4
177.09142	2.0
181.04959	13.7
182.05315	0.6
183.06578	1.0
191.07034	1.8
191.10719	1.1
192.10858	0.3
195.06537	32.0
196.06911	0.9
197.08057	0.4
199.05972	0.3
201.92336	0.3
205.08630	0.9
205.12234	0.6
209.08089	17.1
223.09657	15.8
224.09998	0.6
237.11209	12.0
238.11613	0.5
251.12779	9.1
265.14371	4.5
279.16003	1.4
293.17505	1.6
307.19168	1.3
321.20642	1.3
328.45148	0.3
335.22229	1.1
363.25180	0.4
391.28397	0.7
429.33829	0.5
447.34708	100.0
448.35065	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65784	1.1
53.03947	1.6
54.70462	1.3
55.05514	18.2
57.07079	11.4
67.05499	4.7
67.46764	1.2
69.07069	32.0
71.08634	5.6
72.53570	1.2
79.05498	1.9
81.07063	10.1
83.04975	1.8
83.08620	19.2
85.10172	1.9
89.79255	1.4
91.05469	4.8
93.07064	8.3
95.04947	4.1
95.08596	13.5
97.10153	12.2
98.23363	2.5
105.07019	2.1
109.10166	5.8
111.11755	6.5
121.06486	2.2
123.04452	2.9
123.11713	3.6
123.87519	1.3
125.13240	1.9
131.08565	1.4
133.06514	2.0
133.72050	1.3
135.08066	1.7
137.05968	11.8
137.13206	1.6
138.06772	16.1
139.03879	1.8
139.07559	4.5
141.05481	3.1
142.07774	1.7
143.08548	1.7
145.10162	1.5
147.08083	3.9
149.06006	4.7
151.07555	22.4
159.08105	1.7
161.05989	3.4
161.09641	2.3
165.05489	10.6
165.09119	6.7
166.06262	34.5
167.07042	100.0
168.07399	4.1
175.07637	4.0
177.09164	2.8
179.07069	4.3
179.18001	1.6
181.08627	3.1
182.77971	1.2
187.07579	1.7
189.09163	6.5
191.07056	3.8
192.07693	1.5
193.08597	7.3
195.10129	1.8
203.10696	3.8
205.08627	7.8
205.12206	2.1
207.10181	11.8
215.10693	1.7
217.12329	2.6
219.10168	2.7
221.11749	5.6
228.00514	1.4
229.25055	1.2
233.11778	3.9
235.13319	2.7
291.19550	1.6
347.25778	3.2
361.14233	2.1
373.27277	2.4
411.32556	1.9
429.33569	16.9
430.34424	24.7
447.17941	2.0
447.34238	7.0
448.35379	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01860	3.5
55.05508	20.0
57.07081	12.1
63.52782	2.1
67.05506	12.8
69.03457	2.0
69.07067	36.8
71.08628	8.9
71.29838	2.4
71.30284	3.5
72.01544	2.1
79.05499	6.6
81.07050	22.1
83.04979	7.9
83.08616	21.7
90.63393	2.1
91.05482	10.1
93.07042	16.0
94.07380	1.9
95.04971	6.9
95.08606	21.9
97.10169	10.2
99.00803	2.8
99.04438	5.9
105.07040	8.6
107.08571	10.2
109.06500	7.1
109.10180	11.1
110.07328	3.1
111.04420	4.0
111.08057	4.2
111.11738	6.2
116.52637	2.3
117.07019	3.4
119.08577	9.7
121.06529	6.5
121.10126	6.8
123.08043	4.3
123.11707	4.7
125.13272	3.4
128.06198	2.4
129.07069	2.0
131.08565	5.5
133.10106	6.5
137.05904	10.1
138.06760	21.6
139.03909	24.5
139.07568	11.3
141.05478	2.8
141.07045	3.5
142.07841	2.5
143.08582	5.5
145.10138	7.0
147.08069	7.4
147.11765	3.3
149.06000	5.4
149.13197	2.5
151.07524	18.6
153.05479	8.7
155.08508	5.3
156.09297	3.2
157.10114	7.7
159.08035	3.7
159.11731	4.1
161.09627	5.3
163.11201	2.8
163.14920	2.5
165.05521	12.4
165.06836	2.6
165.09137	9.0
166.06262	47.0
167.07045	100.0
167.08452	3.9
168.07364	4.2
169.10100	4.6
171.08037	2.6
171.11661	3.9
173.09680	3.3
175.11156	5.6
177.09148	3.9
179.07028	2.7
179.08461	3.0
181.04961	33.9
181.10104	5.9
183.11711	4.1
185.09595	2.5
187.11110	2.6
189.09082	7.2
189.12788	5.8
191.07016	2.9
193.08585	5.5
193.10173	5.3
193.12196	2.8
195.11674	5.3
197.09641	4.2
197.13214	3.8
199.11180	5.5
199.14867	2.8
201.12769	2.4
203.10661	2.8
205.08551	4.3
205.10257	2.3
205.12132	2.6
207.10155	9.4
207.11839	4.1
209.13248	4.8
211.11194	6.0
213.12830	3.9
215.14323	2.8
217.12379	2.3
219.10037	2.9
221.13319	3.4
225.12793	5.2
227.14301	4.3
237.16441	2.6
241.15886	3.3
243.26924	2.3
247.14767	3.3
249.12730	3.4
251.14198	4.0
253.15889	8.4
255.17416	5.4
265.15854	4.9
279.17438	6.7
289.19522	3.5
291.19632	2.7
305.18924	2.7
306.19550	2.7
307.20486	8.0
307.23746	2.1
333.22226	6.4
333.28116	2.4
348.24466	3.0
429.27768	18.4
429.33582	12.9
430.28439	4.0
430.34317	29.6
447.28717	29.0
447.34500	13.0
448.35394	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	12.8
57.07084	12.8
67.05505	4.9
69.07068	21.5
69.28558	11.1
71.08632	9.3
79.05485	1.9
81.07046	7.0
83.08619	13.1
85.10191	5.8
91.76393	1.5
93.07037	4.8
95.08604	4.6
97.10161	8.7
98.22618	2.9
104.34328	1.6
105.07044	3.1
105.90505	1.4
107.08586	2.7
109.10125	3.7
111.11710	7.0
119.08555	2.2
123.11711	1.9
131.08626	1.6
135.08064	4.4
137.05971	3.2
138.06760	2.6
139.07553	5.8
149.09612	3.0
151.07581	9.2
153.09097	3.3
161.09732	1.8
165.05508	3.7
165.09129	14.6
166.06285	8.4
167.07051	23.3
168.07413	2.0
177.09135	4.0
181.08562	6.5
189.09142	2.6
191.07057	1.9
191.10660	2.2
205.12206	2.9
207.09973	1.8
323.89590	1.9
373.14764	1.9
374.15103	4.3
375.16116	4.6
388.16629	3.5
389.17593	15.6
390.18066	6.9
391.18466	1.8
403.19147	7.3
404.19833	10.1
417.16138	3.3
418.17578	6.9
419.17160	3.0
419.22348	36.6
420.22815	6.6
429.27722	2.1
429.37238	3.2
431.18161	1.9
432.19006	8.0
446.20215	1.9
447.21619	100.0
447.38995	8.6
448.22119	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3469
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
55.01865	8.3
55.05275	1.0
55.05512	10.0
57.06841	1.3
57.07078	16.7
65.03925	1.7
67.05511	4.5
69.07063	14.0
69.27056	6.6
69.91963	0.9
71.08630	12.6
79.05473	4.1
81.07060	9.0
83.01331	1.0
83.04958	3.9
83.08617	9.4
85.10182	6.8
91.05459	4.3
93.07027	4.2
95.04926	1.4
95.08602	8.1
97.06516	1.2
97.10168	7.9
98.23000	4.0
99.04424	4.0
99.11702	1.8
102.64043	1.0
105.07020	3.3
106.48384	0.9
107.04936	3.0
107.08576	4.2
108.02811	0.9
109.02862	2.5
109.06494	3.2
109.10141	4.3
111.04439	29.3
111.11739	5.5
119.04948	1.4
119.08560	3.1
121.02860	1.2
121.06506	1.6
121.10116	1.6
123.04404	3.3
123.08035	2.7
123.11649	1.1
125.05974	4.0
125.13245	1.9
127.03885	3.1
131.08536	1.3
132.74503	1.1
133.10130	1.9
135.04373	3.8
135.08038	3.6
135.11679	1.4
137.05956	3.7
137.13289	1.5
138.06654	1.0
139.02905	1.6
139.03903	25.2
139.07532	2.4
141.05455	1.9
143.08582	1.2
145.10051	2.6
147.04362	2.3
147.08046	2.1
147.11624	1.3
149.05995	1.5
149.09593	3.0
149.13300	1.0
151.03891	1.7
151.07495	3.0
151.11314	0.9
153.05461	7.9
155.08609	1.6
157.10126	1.6
159.11671	1.9
161.09587	4.0
163.03876	4.4
165.05482	20.3
165.09102	3.8
166.06290	2.5
167.07050	20.6
168.07388	0.9
169.04964	1.7
169.10100	1.7
171.11673	1.1
173.09636	1.9
173.13370	1.1
175.07520	1.3
175.11211	1.8
175.14728	0.9
177.05475	2.0
177.09074	3.0
179.10725	1.5
181.04958	100.0
181.08339	2.6
182.05243	3.7
183.06506	2.5
185.09639	1.0
185.95952	1.1
187.07475	1.2
187.11191	1.9
189.08969	1.2
191.07059	1.2
191.10629	2.9
193.08575	1.4
195.06482	3.4
199.11179	2.9
201.09169	1.4
201.12689	2.3
205.08543	2.6
205.12187	1.8
206.88667	1.1
207.10072	1.2
209.08073	2.1
211.11023	1.5
213.12703	1.1
215.14102	1.1
221.11635	2.5
223.09428	2.3
227.14389	1.4
233.11642	2.3
235.13120	1.3
237.11116	1.4
247.13046	1.4
251.12585	1.4
253.15775	1.8
265.15967	1.8
307.20285	3.4
321.20560	1.4
333.22061	2.7
335.21991	1.7
387.32343	1.7
401.33847	2.1
405.33481	1.2
411.32516	3.4
429.27835	3.4
429.33420	18.9
430.33920	3.2
447.28775	10.4
447.34485	49.8
448.29367	1.5
448.34961	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3469
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
55.05514	50.3
57.07074	42.2
67.05500	19.8
69.05692	17.3
69.06126	13.4
69.07070	100.0
71.08630	29.6
78.33337	3.5
79.05503	10.4
81.07057	38.7
83.04977	32.9
83.08618	43.3
84.80496	3.4
85.10184	13.3
91.05479	9.8
93.07040	16.2
95.04966	4.1
95.08601	39.4
97.10179	29.6
105.07047	11.9
107.08589	17.5
109.06502	8.9
109.10187	18.7
111.08114	8.7
111.11729	24.5
119.08582	12.9
121.06471	5.0
121.10144	14.0
123.08099	6.7
123.11726	15.3
125.13274	9.9
133.10139	8.4
135.08054	13.8
135.11697	5.5
137.06009	12.2
137.09647	6.5
137.13249	5.4
138.06798	7.9
139.07578	19.6
141.05421	4.2
145.10143	7.4
149.09630	4.7
151.07520	17.1
153.09143	7.2
157.10147	4.3
159.11678	8.1
161.09677	14.8
161.13295	5.1
163.11174	6.5
165.05431	3.8
165.09096	38.1
166.06264	15.3
167.07068	28.2
169.08620	3.5
171.11624	8.7
173.13194	4.9
175.11198	8.0
177.09142	4.9
177.12653	5.0
178.12538	3.6
179.10701	5.3
181.08548	15.2
187.11122	3.7
189.12724	6.1
191.10710	4.3
193.12256	4.8
205.12344	8.8
207.10162	4.6
207.13881	4.2
219.17467	4.3
250.62807	3.5
253.32472	3.7
275.20096	4.1
401.34186	37.7
402.34308	4.0
429.27957	5.0
429.33252	55.1
430.34122	15.2
447.33893	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	4.5
54.29179	4.8
55.01875	5.2
55.05508	53.2
57.07076	38.9
67.05499	26.3
69.03443	6.3
69.07068	81.7
69.68348	4.2
71.08634	21.1
71.29958	4.8
71.43407	3.8
73.04734	3.8
79.05486	9.1
81.07054	50.0
83.04970	35.1
83.08613	47.6
84.70309	5.8
85.10211	13.3
87.35619	4.3
91.05486	11.5
93.07030	32.6
95.04979	7.6
95.08611	54.4
97.10177	27.6
105.07041	14.8
107.08569	23.2
109.06534	14.5
109.10171	32.6
109.10793	4.9
111.08080	10.9
111.11727	16.1
117.07032	7.1
119.08604	15.3
121.06493	8.3
121.10148	16.4
122.81384	5.0
123.08091	14.2
123.11720	15.5
124.92544	4.3
125.09679	5.1
125.13319	6.5
131.08578	8.6
133.10135	7.6
135.08055	14.6
135.11714	8.0
137.05983	23.2
137.09584	8.5
139.07544	17.8
143.08586	5.8
145.10092	8.6
147.11699	10.5
149.09633	13.3
151.07539	18.3
153.09142	9.2
155.08517	6.7
157.10088	11.3
159.07970	6.1
159.11659	9.5
161.09624	13.4
163.11203	6.3
165.09076	31.5
166.06293	16.6
167.07059	52.1
169.10123	5.9
175.11128	12.8
177.09178	6.1
177.12921	4.9
179.07135	5.0
179.10648	8.0
181.08646	10.3
181.10201	5.4
183.11632	6.3
189.12785	6.1
191.14297	4.5
230.24821	6.9
233.13196	6.2
235.14873	4.7
237.12766	4.9
251.14360	9.0
253.12897	4.6
253.15836	16.2
265.15848	6.8
279.17313	6.5
307.20590	11.0
333.22168	9.3
374.43262	4.9
383.32837	6.8
387.22931	6.7
401.34125	23.8
429.27881	17.6
429.33569	26.5
430.34085	14.2
431.35287	5.5
437.11710	4.7
446.95996	4.8
447.28885	30.9
447.34103	100.0
448.29395	7.5
448.35059	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3831
Annotation	13'-OH-alpha-tocopherol
Peak:m/z	Relative Intensity
50.05564	1.3
53.03939	3.5
55.01875	1.8
55.05508	47.7
56.05833	1.9
57.07076	65.4
64.41778	1.4
67.05510	8.6
69.07066	100.0
69.10049	3.5
69.10456	10.7
71.08630	45.9
73.15094	1.5
74.24967	1.4
79.05508	4.5
81.07049	15.7
83.01333	2.2
83.08617	63.9
85.10183	26.8
86.32353	1.4
87.83229	1.6
91.05469	3.6
93.07040	8.4
95.04976	1.6
95.08602	11.4
97.10168	55.9
98.10506	2.0
98.23382	3.5
99.11730	3.1
101.43197	1.5
105.07002	1.8
107.08608	9.7
109.10165	6.1
111.08093	2.9
111.11719	44.0
119.08595	3.2
121.06532	3.5
121.10194	3.6
123.08055	2.0
123.11710	3.6
125.13272	13.5
131.08565	2.5
135.08040	16.9
137.09595	8.2
138.06750	2.5
139.07544	25.3
139.14793	1.8
141.09061	1.6
145.10196	1.9
149.09636	10.3
151.07545	18.7
153.05489	2.2
153.09096	13.6
161.09618	2.3
163.07558	4.6
163.11201	2.9
165.09117	73.5
166.06299	6.3
166.09457	2.9
167.07037	19.1
169.08607	7.9
173.09641	3.2
175.11162	2.7
177.09106	8.1
179.09210	1.8
179.10681	4.6
181.08588	35.4
189.09074	2.3
190.09724	1.6
191.10689	7.7
201.12840	1.7
203.10750	2.1
205.10527	1.6
205.12212	7.7
219.13930	2.4
286.41208	1.6
307.20786	2.0
419.22452	2.4
429.37399	17.5
447.21530	2.5
447.28857	2.6
447.38385	59.7
448.38663	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57152	1.5
55.05509	16.0
57.07076	28.6
67.05503	5.5
69.07064	38.0
71.08636	21.0
81.07059	7.6
83.08614	29.2
83.09103	1.9
85.10169	11.2
93.07041	2.9
95.08606	8.0
97.10174	23.9
98.22566	3.8
99.11732	1.6
101.67474	1.4
106.28481	2.0
107.08601	4.5
109.10164	3.3
111.08124	1.9
111.11732	13.9
112.58293	1.6
121.06500	3.6
121.10128	1.6
125.13262	4.9
130.71730	1.6
135.08080	6.3
137.05998	1.6
137.09622	3.7
138.06715	2.3
139.07552	10.9
149.09639	4.1
151.07608	9.6
151.08755	1.3
153.09109	5.8
159.11763	1.7
163.07587	2.1
165.05507	2.0
165.09109	35.5
166.06287	6.9
166.09410	3.4
167.07016	14.7
167.09637	1.5
169.08588	3.5
175.11063	1.8
177.09178	3.3
181.08585	16.9
191.10629	3.1
195.28679	1.6
205.12283	3.7
205.26189	1.6
228.83273	2.0
373.14819	1.7
375.15979	3.2
388.16525	3.2
389.17575	11.2
390.18115	5.0
403.19150	5.8
404.19730	12.9
418.17551	5.4
419.22308	36.3
420.22760	4.9
429.37332	13.5
432.18869	9.8
447.21634	100.0
447.38348	24.1
448.22208	11.3
448.38333	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01873	16.4
55.05512	3.4
57.03439	26.3
59.05000	3.3
60.04522	1.8
61.02929	14.2
69.03426	38.5
71.01348	5.1
71.04993	2.7
71.29162	2.2
72.04515	1.8
73.02919	39.0
81.03416	5.7
81.07067	2.0
83.04978	1.3
84.04445	1.5
85.02903	100.0
87.04462	7.7
91.03951	6.1
91.05476	26.1
92.05823	1.7
93.07043	2.7
95.04987	2.0
97.02890	55.5
98.06031	1.6
99.04444	4.0
103.03938	3.9
105.07021	4.7
107.08557	1.4
109.02907	8.1
111.04400	1.5
115.03928	27.9
116.54147	1.5
119.04906	1.3
119.08600	3.8
119.24296	1.3
121.02856	2.2
123.04472	1.7
127.03908	27.6
131.08531	3.4
132.06529	3.9
133.04962	40.5
133.10146	2.6
137.05966	17.8
144.06546	3.8
145.04955	43.9
145.10155	5.3
147.04466	3.1
147.11690	2.6
150.07687	6.4
153.01813	3.4
154.08635	1.7
159.11713	3.8
162.07587	3.1
163.06035	20.8
163.07448	2.1
180.08669	5.4
181.05046	2.7
187.11197	3.2
193.04955	1.8
205.04778	1.6
205.12180	3.5
205.15700	1.8
215.14302	1.6
223.05977	3.8
224.06409	1.3
233.08017	1.3
233.15324	5.4
241.07050	3.9
251.09239	3.5
251.12758	20.1
251.16440	2.5
259.08231	1.7
287.05472	41.9
303.05005	5.3
347.06900	1.6
384.37231	1.4
391.87650	1.6
448.18561	11.3
449.19717	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05001	1.8
60.05641	1.6
69.03433	1.3
70.06563	0.7
71.29115	0.8
72.08146	0.6
73.02904	0.7
79.05442	0.9
83.06074	1.9
84.04480	0.7
85.02879	1.8
91.05861	0.9
95.04948	1.2
95.06053	1.2
103.79969	0.6
105.03373	2.9
105.05767	1.3
105.07018	0.7
106.06553	5.8
106.76812	0.6
110.35766	0.6
111.04385	1.0
111.05553	8.1
113.07095	1.2
118.06510	2.7
119.04969	0.8
120.04466	22.2
121.04784	2.3
123.04397	1.1
123.05521	1.4
124.07591	0.7
126.06638	12.4
127.03771	0.7
130.06535	1.1
132.04454	24.8
132.08084	0.9
134.06007	10.7
137.02301	1.1
137.04662	2.7
137.05861	3.5
138.06552	0.7
139.03810	0.9
140.08122	1.3
147.04338	2.2
147.05573	0.9
149.02304	1.0
149.07062	0.8
151.06136	11.4
154.08617	2.2
157.07587	0.8
164.06743	0.8
168.08777	2.8
175.03923	0.9
202.09744	16.5
203.09976	0.8
206.06740	1.0
213.05447	1.7
215.08093	0.9
216.11324	5.1
225.20450	0.8
230.09277	10.4
230.23528	0.7
231.09573	0.7
231.12250	1.2
232.10773	4.7
233.08015	1.0
241.10959	1.3
242.09296	3.8
257.08057	0.9
257.10342	6.6
259.11896	93.4
260.12216	6.1
277.12900	2.7
284.11447	6.8
287.05478	37.7
287.10849	1.4
301.14099	10.2
302.12436	39.5
303.12744	3.1
317.08490	0.9
319.15091	2.9
406.17203	17.4
407.17371	1.1
431.16684	1.0
448.19370	100.0
449.20306	8.4
470.96683	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01861	1.4
55.05511	2.3
57.03443	10.8
59.04978	0.9
61.02928	6.3
66.74842	0.9
66.94681	0.7
68.99796	0.8
69.03430	5.3
70.81435	1.2
70.81777	1.3
71.01348	0.6
71.04994	64.8
72.05322	1.0
73.02903	4.7
75.04483	3.7
79.05497	1.0
81.03416	1.3
81.07050	0.8
82.64635	0.6
83.04978	7.0
85.02905	100.0
86.03230	1.3
87.04482	2.4
91.03965	2.0
91.05481	1.4
93.07047	2.6
97.02898	9.5
99.04459	1.7
101.05991	0.7
105.07035	2.8
106.98877	0.7
107.04926	0.8
107.08585	0.8
109.02895	1.5
110.06065	0.9
111.04439	5.2
115.03964	1.9
115.88374	0.7
119.08580	1.2
121.02867	2.3
127.03918	7.5
129.05476	40.4
133.04993	2.7
133.06522	0.9
137.02330	0.8
137.05981	4.2
145.04958	8.6
145.10107	0.8
146.08153	1.2
147.06517	26.6
147.11681	0.9
148.06871	0.8
153.01778	3.6
155.61703	0.7
158.52644	0.7
163.06064	3.4
164.09187	6.1
165.01871	1.3
171.06682	1.0
175.01088	0.7
225.07681	1.0
231.06400	1.0
233.15442	2.3
251.12904	1.2
251.16405	1.8
255.08662	2.4
273.09631	1.6
287.05502	48.9
303.05084	2.6
309.11908	1.0
449.19736	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47353	2.8
50.87402	2.7
55.05511	6.2
67.05524	6.8
69.03429	8.1
73.19910	2.8
73.41573	3.3
79.05504	9.6
81.07060	43.4
83.08605	5.3
85.02903	15.1
87.95496	2.8
91.05492	8.2
93.07050	14.3
95.08603	13.9
97.02888	6.2
97.10178	3.9
97.14854	2.9
98.23351	6.9
98.83631	2.8
99.03059	2.6
100.11230	4.5
105.07036	8.5
107.08585	18.3
109.06525	20.1
109.10160	4.3
117.07007	4.1
119.08624	2.8
121.10168	17.7
129.07004	7.1
131.08540	8.1
135.08049	3.3
135.11691	14.2
137.05995	37.9
141.06956	3.4
142.07860	3.0
143.08549	3.8
145.06532	5.2
145.10149	6.9
147.08008	2.9
147.11676	16.5
149.13258	53.4
154.07780	6.0
155.08615	4.3
157.10188	5.7
159.08035	19.6
159.11746	3.3
166.07864	2.8
167.08546	4.5
169.10155	7.6
170.15410	3.1
171.08067	4.1
172.08818	3.1
173.09610	3.7
177.16393	100.0
178.16766	5.2
185.09637	14.5
186.10309	3.0
187.07478	3.2
187.11145	13.7
187.14833	7.3
193.10164	3.8
195.11787	5.3
198.14920	3.8
205.15892	36.6
210.14832	4.0
219.11865	3.2
223.11174	7.2
223.16916	60.5
224.08372	4.7
233.13280	4.1
233.15405	8.5
247.11314	3.4
251.10657	3.0
251.16406	13.4
265.12296	5.0
266.13132	3.5
269.17474	92.2
270.17764	6.9
272.06384	7.0
403.19067	3.8
413.17978	4.1
421.20010	7.2
431.18375	9.4
449.19739	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.4
67.05499	2.3
68.99818	1.3
69.03444	1.5
71.04977	4.3
71.15236	2.7
73.02919	21.1
73.34248	1.3
76.33739	1.3
79.05489	2.6
81.07055	5.3
85.02906	12.9
87.04498	1.7
91.05438	3.7
93.07054	3.0
95.04952	1.9
95.08604	4.4
97.02870	2.1
105.07017	6.8
107.04926	2.1
107.08580	4.9
117.07004	2.4
119.08596	3.9
121.02869	3.6
121.10158	2.5
121.83491	1.5
127.03967	3.3
131.08556	4.8
133.10097	1.8
135.11668	1.4
137.02338	1.8
140.04637	1.6
143.45049	1.7
145.10106	4.7
147.11681	6.6
149.13173	1.5
153.01811	7.7
161.06007	2.9
161.95824	1.3
163.07559	1.9
165.01848	3.5
167.07062	4.1
181.04955	3.9
181.06596	2.0
187.14822	6.8
205.15825	9.8
215.14334	2.3
233.15343	21.8
233.88437	1.5
234.15721	2.3
251.16437	15.4
283.09494	2.3
287.05487	100.0
288.05521	3.0
303.04984	16.9
304.05325	25.3
305.05624	2.1
317.06583	9.4
357.13193	5.3
374.13620	2.3
448.22464	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	4.0
65.86632	2.0
69.03416	3.4
69.44408	7.1
69.44836	7.1
73.02916	24.5
74.03255	2.9
75.04475	8.9
79.05478	3.3
81.03416	3.1
81.07035	10.2
85.02914	15.3
87.04453	3.0
91.05469	6.9
93.07034	3.5
95.04987	2.4
95.08609	6.9
97.02908	2.3
98.23280	3.1
105.07016	7.0
107.08581	4.6
111.00800	4.2
117.06998	3.2
119.08556	4.7
121.10151	4.5
123.04437	3.3
127.03895	3.1
131.08546	7.3
137.02367	5.5
137.05907	4.2
138.02699	2.3
145.10129	7.3
147.11688	10.7
153.01743	11.9
154.02158	2.7
159.11696	4.8
163.11177	3.5
165.01842	3.1
177.09125	3.1
177.16359	3.0
187.14835	7.9
205.15825	10.6
229.04991	6.1
230.05336	5.2
233.15384	37.1
251.16440	14.5
257.04602	3.3
258.04871	3.2
272.06302	2.2
274.04590	2.9
287.05496	42.8
297.07446	2.6
302.04181	5.5
303.01404	2.4
303.04987	94.0
304.05338	100.0
305.05664	8.1
317.06622	17.4
325.18085	2.2
331.99771	2.0
343.19012	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.2
53.03944	0.5
56.96577	0.2
57.81044	0.2
73.04773	0.3
77.03900	0.2
79.05502	3.0
91.05795	0.6
93.05524	0.2
93.38465	0.2
95.04991	0.4
98.97584	2.0
101.26791	0.2
103.05476	1.9
103.07573	0.4
105.07037	100.0
106.06569	0.9
106.07373	3.4
111.04433	0.3
116.98626	1.1
122.09675	53.9
123.10011	2.2
127.03902	0.3
134.99716	0.3
137.05974	0.4
145.04973	0.2
158.99660	0.6
163.03894	0.3
165.09059	0.3
165.11275	0.8
167.06970	0.2
177.00732	1.4
177.05432	0.4
219.01802	0.4
219.24101	0.2
227.09477	0.3
237.02835	0.5
251.09174	0.4
252.97871	0.5
269.10468	0.7
275.97195	0.6
287.05597	0.5
287.11728	0.5
299.75259	0.2
362.02640	0.4
389.15036	0.6
407.15787	0.7
448.15088	0.5
449.16953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82117	0.9
54.28438	1.0
57.03436	2.1
58.02237	0.9
60.40295	1.0
61.02928	2.1
68.99790	1.2
69.03429	1.9
69.07085	1.0
69.62720	1.9
69.63115	2.8
71.04991	2.2
72.08150	1.1
73.02919	23.4
74.03255	1.7
75.04464	7.0
79.05507	1.6
81.07059	4.0
85.02909	7.3
87.04466	2.2
91.05476	2.3
92.30618	1.1
93.07050	3.9
95.08621	3.5
97.02910	1.4
99.04478	1.4
105.07030	3.7
107.08607	2.1
109.02881	1.3
109.10159	2.1
111.00811	1.8
119.08573	4.2
121.02882	3.5
121.10190	1.5
123.04449	2.9
127.03984	1.1
127.11153	1.4
131.08569	5.7
135.04362	1.5
135.11693	2.0
137.02322	5.2
137.05948	1.9
145.10141	3.1
147.08040	1.8
147.11693	4.6
149.06081	1.6
153.01808	7.3
154.02237	1.7
159.11717	2.5
163.03818	0.9
165.01857	3.9
167.07043	2.0
177.09100	1.0
177.16290	2.1
183.02959	1.8
183.04594	1.2
187.14856	4.3
191.10622	1.3
201.05548	2.2
205.15926	4.0
213.05472	2.3
215.14302	1.6
229.04956	3.3
230.05276	2.3
231.06367	1.3
233.15338	14.3
236.97873	1.1
251.12785	1.3
251.13812	1.2
251.16412	10.3
257.04401	1.3
258.04962	2.9
286.04248	1.2
287.05487	100.0
297.03931	2.3
303.04990	50.8
304.05319	48.8
305.05557	3.7
315.04968	1.4
345.06052	2.1
413.08762	1.3
427.50275	1.2
427.56345	1.1
449.09592	1.1
449.17657	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27507	1.5
53.03947	1.7
57.03442	2.5
58.96147	1.6
60.00469	1.4
66.04170	1.4
67.05518	4.6
69.03419	2.2
69.06438	8.5
69.06857	5.9
70.42810	1.3
71.04993	3.2
73.02917	29.5
79.05487	2.8
81.03452	2.6
81.07052	20.5
81.89579	1.5
85.02895	8.5
87.04465	1.9
91.05476	2.0
93.07041	6.8
95.08612	19.7
98.53722	1.5
99.04448	2.1
105.07044	8.5
107.08595	8.1
108.42565	2.0
109.10173	3.7
117.07030	1.8
119.08591	7.4
121.02875	4.5
121.10169	10.9
127.03912	1.9
131.08572	16.1
133.10126	2.9
135.11699	4.6
137.02374	6.3
145.10117	11.0
147.11670	12.7
153.01852	8.7
154.02138	1.5
159.11676	5.5
163.11320	1.7
165.01857	3.9
177.09238	1.9
177.16368	24.4
187.14812	16.8
189.16473	2.1
205.15868	21.2
213.05467	2.2
229.04913	2.0
230.05327	4.5
233.15358	25.4
251.16434	31.8
258.05032	5.5
287.05493	100.0
287.12454	3.4
302.03995	3.2
303.01666	1.2
303.04953	33.1
304.05307	67.3
305.05591	4.7
317.06512	13.2
449.17813	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	3.6
57.02743	2.7
67.05513	9.7
69.04164	9.7
69.04567	19.3
73.02922	17.6
78.30460	2.9
79.05511	14.0
81.07060	42.9
85.02917	13.9
91.05499	7.1
93.07050	15.1
95.08612	44.3
97.74986	2.8
105.07031	28.3
107.08604	15.5
109.06496	3.1
109.10194	8.8
117.07057	6.7
119.08588	28.2
121.10156	27.7
127.03925	5.4
131.08591	30.4
132.08975	3.1
133.10161	5.2
135.11716	4.0
137.06036	3.6
145.10132	23.2
147.11662	29.0
149.09627	6.0
149.13223	5.1
150.33318	3.3
153.01794	4.7
154.02180	3.2
159.11687	5.3
161.13277	3.7
163.05907	3.9
165.01810	4.4
177.16380	53.7
181.89056	3.1
187.14822	30.2
189.16406	9.9
205.15852	41.3
215.14412	5.3
230.05342	7.0
233.15379	45.8
238.52092	3.4
251.16438	56.5
252.16957	3.0
287.05493	63.3
287.12570	4.5
303.04971	41.0
304.05319	100.0
305.05542	5.4
395.20743	5.8
449.18237	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
57.03438	2.2
59.83618	1.2
69.03429	2.5
70.61537	2.8
71.04996	7.8
71.84475	1.0
73.02920	9.9
75.04471	2.1
79.05499	1.8
81.03391	1.3
85.02914	10.9
88.17883	1.0
91.05493	1.8
93.07042	3.5
95.04988	1.3
95.08590	2.9
97.02886	2.6
105.07056	1.2
107.04929	2.1
107.08591	11.6
111.00789	1.2
119.08597	8.4
121.02866	2.2
121.10169	1.3
124.06644	1.0
127.03919	100.0
131.08522	1.4
133.02902	3.0
133.10147	2.6
134.10938	1.5
135.11688	3.5
137.02362	2.2
145.92879	0.9
146.79469	1.1
149.13260	1.3
153.01842	6.0
159.11734	1.0
163.03917	3.4
163.11139	2.0
165.01807	1.1
179.03435	4.3
181.12231	2.5
183.90314	1.1
201.05539	1.1
204.58260	0.9
213.05513	1.3
229.04950	3.6
233.15399	4.7
251.16513	2.0
252.16779	1.2
258.05283	1.5
274.04800	1.3
285.03995	1.6
287.05499	37.3
288.05835	9.5
302.04373	3.6
303.04990	42.6
303.12091	1.6
304.05316	21.1
305.05533	1.5
317.06540	14.9
329.06467	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01881	2.1
55.05507	8.6
57.03435	1.9
58.83208	1.0
61.73697	1.1
67.05506	10.9
68.99790	1.5
69.03330	10.9
69.07060	3.7
71.05004	6.1
73.02918	19.1
79.05493	6.8
81.03413	1.9
81.07064	14.1
83.04984	3.1
83.08605	2.8
85.02897	10.0
87.04462	2.1
91.05491	8.5
93.07044	17.0
95.04970	5.8
95.08604	17.7
95.09159	1.5
96.08934	1.9
97.02871	3.1
97.06523	4.3
97.10175	1.3
98.22606	1.7
99.01009	1.1
99.04451	2.0
99.17004	1.2
105.03395	1.1
105.07040	11.9
106.07346	1.5
107.08593	15.2
107.22059	1.3
108.08978	1.2
109.06525	3.4
109.10161	10.6
111.00813	1.4
111.04449	2.1
111.08083	2.7
113.06001	2.0
115.03896	1.4
117.07010	1.2
119.04935	1.8
119.08580	12.2
121.02901	3.1
121.06515	2.0
121.10144	12.3
123.04431	7.8
123.08067	2.7
123.11697	2.4
125.06043	2.0
125.09630	2.1
127.03876	1.9
131.08575	4.5
133.06451	1.0
133.10127	13.5
135.08060	4.0
135.11696	2.9
137.05975	3.1
137.09634	7.9
139.07562	2.1
143.08510	1.7
143.10597	1.9
145.05006	1.2
145.10153	8.3
147.04430	2.7
147.08067	2.1
147.11685	8.2
149.09613	2.2
149.13261	11.6
151.07549	2.9
151.11157	1.9
153.01828	3.9
153.05479	1.1
155.08495	2.1
157.10069	2.7
158.10829	1.2
159.11696	7.2
160.06125	1.0
160.12151	1.3
161.09630	1.6
161.13194	1.4
163.11205	1.4
163.78587	1.4
165.09137	2.4
167.07027	1.8
167.14311	1.6
168.23878	1.2
169.10133	1.2
171.11633	1.4
173.09601	1.3
173.13281	2.8
175.03899	1.3
175.11197	1.6
177.09122	2.3
177.12764	5.0
177.16400	3.6
181.04955	1.3
185.09648	1.2
187.14793	8.5
189.16289	2.3
191.10583	1.7
193.10011	1.2
195.04367	1.2
197.05980	2.1
205.15863	9.2
213.05513	8.4
214.06174	2.6
215.14397	3.9
219.17450	2.4
221.13109	1.5
225.05521	1.7
229.19469	1.1
233.15343	10.5
241.05006	6.1
242.05841	3.7
251.16399	21.9
252.16901	1.2
269.04434	12.4
270.05194	5.9
285.03867	1.8
287.05499	100.0
288.05557	1.6
297.03925	93.6
298.04709	17.0
299.05408	2.3
309.03787	2.6
311.05386	2.7
327.04996	7.8
448.25549	5.0
449.08682	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.269
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93594	3.1
60.88701	3.2
62.98252	4.0
63.30474	3.0
64.27642	3.1
69.21265	22.8
69.31673	3.4
88.76022	3.9
105.03365	3.8
107.68079	3.2
113.20024	3.1
144.39261	3.0
162.91977	3.1
227.07069	7.1
241.08430	3.8
242.09395	5.5
259.09583	4.6
269.08224	4.0
270.08856	5.1
271.09509	4.0
273.11050	4.5
287.09161	11.0
301.10666	10.5
302.11517	18.6
325.14426	9.9
340.16687	20.2
371.18616	15.1
388.18829	5.7
397.00934	3.5
403.21185	100.0
404.21399	7.5
448.17712	5.7
448.29370	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01878	2.3
55.05519	7.4
57.07074	1.3
62.20185	1.1
65.03943	1.4
67.05505	12.7
68.05829	2.7
69.03437	2.8
69.07066	6.8
69.15670	3.9
69.16095	5.8
69.16585	1.1
70.07396	1.6
76.65168	1.1
79.05497	5.2
80.05831	1.5
81.07062	8.5
82.07409	1.4
83.04980	7.7
83.08614	2.1
84.05326	1.7
85.06551	1.6
85.32812	1.1
91.05470	8.8
92.05853	1.4
93.07054	15.5
94.07390	5.1
95.04980	4.3
95.08613	21.4
96.08940	5.6
97.06534	3.1
97.10245	1.3
98.22585	1.8
105.03385	6.6
105.07030	13.6
106.03716	1.7
106.07379	4.1
107.08578	12.2
108.08935	3.3
109.06543	4.6
109.10146	6.9
110.10503	2.2
110.91944	1.2
111.04454	3.3
111.08100	3.2
117.07063	2.7
118.07392	1.4
119.08573	10.8
120.08938	4.3
121.06515	3.3
121.10159	5.4
123.08056	6.0
123.11691	1.3
124.08418	1.3
125.09641	2.0
128.06247	3.2
129.06996	4.3
131.08588	5.7
132.08920	2.4
133.10136	5.7
134.10521	1.9
134.62788	1.1
135.08102	3.6
135.11728	3.0
136.08403	2.3
139.07549	2.4
141.07005	2.5
142.07701	3.3
143.08556	8.1
144.08960	4.2
145.06477	2.4
145.10159	7.9
146.10542	3.3
147.08080	4.2
147.11739	3.7
147.79364	1.3
148.08380	1.6
149.09598	2.0
153.07014	2.1
155.08530	8.3
156.09094	4.1
157.06644	1.2
157.10129	9.7
158.10550	5.2
159.08055	3.9
159.11722	6.0
160.08705	1.9
160.12064	3.3
161.09642	5.3
161.13284	3.0
162.10028	3.4
162.13678	1.9
165.07004	2.5
166.07463	1.9
167.08560	3.8
168.09045	2.7
169.10098	9.2
170.10455	7.0
171.08095	2.9
171.11668	5.8
172.08629	1.6
172.12105	4.3
173.09586	2.8
173.13272	1.6
174.10123	1.4
174.13661	2.5
175.11172	2.3
176.11528	3.1
178.07809	1.4
179.08577	4.4
180.09106	3.7
181.10126	9.9
182.10507	7.3
183.11705	5.7
184.08429	1.8
184.12065	4.8
185.09644	3.3
185.13338	1.7
186.09995	1.6
186.13655	2.7
187.11211	3.1
188.11504	1.5
188.15111	1.1
189.12689	5.4
190.13092	2.1
192.09198	1.2
193.10054	5.9
194.10577	8.1
195.07971	1.8
195.11603	9.1
196.12012	7.5
197.09627	4.4
197.13228	7.6
198.10114	3.6
198.13724	3.5
199.11171	6.1
200.11572	5.3
201.12791	4.0
202.13216	3.9
204.09100	1.4
205.10097	3.7
206.10701	3.9
207.11638	7.2
208.12140	6.6
209.09685	4.3
209.13214	8.8
210.09958	5.5
210.13605	7.0
211.11142	4.9
211.14862	4.1
212.11674	5.5
212.15248	3.3
213.12636	2.4
214.13231	1.9
215.14371	1.9
218.10686	2.4
219.11580	5.0
220.12167	4.1
221.13133	6.4
222.10257	2.4
222.13593	7.9
223.11224	6.5
223.14726	6.9
224.11609	4.7
224.15128	8.6
225.12698	6.5
225.16438	1.7
226.13167	4.6
226.16792	2.7
227.14389	2.4
228.14705	1.9
231.11600	1.9
232.12224	4.5
233.09618	1.3
233.13080	5.4
234.13715	5.4
235.11206	2.6
235.14812	5.6
236.11739	3.6
236.15253	5.1
237.12578	5.9
237.16313	2.6
238.13058	6.2
238.16617	2.1
239.14325	4.0
240.14690	4.4
241.15892	4.1
242.16284	3.7
245.13062	1.5
246.13748	3.8
247.14793	5.1
248.11702	1.6
248.15175	6.3
249.12654	2.5
249.16338	4.2
250.13269	3.4
250.16817	3.6
251.14336	9.8
251.16809	1.3
251.17986	1.6
252.14665	18.8
252.18390	1.9
253.15880	9.1
254.16223	11.8
259.14655	2.3
260.15295	2.1
261.12909	1.8
261.16370	2.6
262.13437	2.1
262.16815	3.6
263.14249	4.3
263.17807	1.5
264.14789	5.3
264.18314	2.1
265.15823	6.3
265.19443	2.2
266.16226	10.8
267.17502	5.7
268.17712	7.7
269.19046	1.4
272.15240	1.1
273.16409	1.4
274.13138	1.3
274.16837	2.3
275.14508	1.7
275.17862	2.7
276.14862	1.9
276.18259	2.6
277.15833	4.2
278.16431	3.4
278.19797	1.3
279.17392	4.4
280.15161	1.3
280.17798	7.8
281.18954	1.4
282.19305	2.2
287.17996	1.3
288.18289	2.5
289.15915	1.7
289.19254	3.2
290.16437	2.6
290.19934	6.6
291.17450	4.1
291.20822	2.4
292.17960	4.1
292.21445	2.0
293.18979	2.1
294.19485	4.0
303.17413	2.4
304.18042	2.7
305.19046	3.7
306.19318	10.6
307.20447	12.5
308.20853	25.3
309.21744	2.0
310.22433	1.4
316.21417	2.8
318.19525	1.8
318.23410	1.3
319.20691	2.3
320.21036	5.0
332.20807	2.1
333.22208	3.4
334.22430	13.8
336.24060	1.6
346.22482	2.6
360.24097	1.7
368.20718	1.4
374.21890	1.6
388.23636	3.8
402.28806	8.5
406.24316	2.6
412.27411	8.6
420.29953	3.3
430.28265	44.7
431.25171	8.0
448.29297	100.0
449.29486	4.6
466.30460	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01860	0.7
55.05317	0.6
55.05513	7.3
57.07078	5.0
58.07424	1.0
65.03921	0.8
67.01875	1.1
67.05508	4.0
69.03429	1.2
69.07069	10.7
70.07384	1.8
71.04965	0.9
71.08616	2.2
79.05480	2.0
81.07060	6.2
82.04192	0.9
82.07393	1.0
83.04967	1.9
83.08626	5.7
84.08952	1.8
85.39539	0.7
91.05474	3.2
93.07058	8.1
95.04979	10.3
95.08620	6.2
96.05282	1.3
96.08929	1.7
97.10177	2.6
98.10506	1.3
98.22836	3.9
105.07021	1.6
107.08572	1.8
109.06527	2.8
109.10147	2.6
110.07327	7.0
110.10492	1.3
111.11722	2.0
117.07039	1.1
119.08588	1.8
121.06503	1.6
121.10181	1.1
123.04442	3.1
123.08041	1.4
123.11693	1.7
125.05959	0.8
131.08609	1.1
133.10098	1.1
135.07948	1.1
137.05957	5.6
138.06767	38.5
139.07573	3.4
141.05463	1.1
143.08536	0.9
145.10094	1.7
147.08032	1.1
147.11734	0.9
149.05983	5.0
150.06387	1.4
151.07570	5.9
152.07881	2.7
154.06253	4.3
157.10118	1.6
159.08014	1.0
161.05981	1.5
161.09605	1.6
165.05486	2.7
165.09106	2.5
166.06261	100.0
167.07040	62.9
168.07463	16.3
169.07582	3.4
171.11641	1.2
173.09511	0.9
175.07544	1.0
176.11528	0.8
177.09167	1.3
179.06953	0.8
180.07573	0.9
181.08592	1.3
187.11159	1.1
189.09106	2.1
190.09506	1.3
191.06984	1.0
193.08522	2.0
194.08875	0.8
201.12723	1.0
204.10976	0.9
205.08548	1.8
206.08928	1.6
207.10179	4.6
208.10532	1.8
215.14330	0.9
219.10152	1.0
221.11688	1.1
225.12486	0.8
374.27545	1.1
430.34372	48.4
431.34674	5.4
448.29178	1.1
448.34888	26.9
449.26138	1.0
449.35449	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.2
57.07066	1.7
67.05499	3.0
69.07067	4.2
70.56644	3.0
71.08635	1.9
83.08623	2.0
85.10207	1.0
91.05448	1.4
95.08620	1.3
97.10155	1.3
107.08601	1.3
109.10161	2.4
114.53100	1.1
119.08556	2.3
121.06506	10.2
135.08052	1.7
136.08856	11.9
137.09604	10.3
149.09631	1.3
151.07545	1.3
158.89424	1.0
164.08325	40.9
164.52278	1.0
165.09113	100.0
166.09550	3.9
177.09256	1.1
185.67268	1.0
190.09903	1.5
205.12195	9.8
260.25287	1.1
287.45279	1.1
430.38065	77.8
431.38177	6.5
448.38644	3.8
449.30630	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0868
Annotation	XL147
Peak:m/z	Relative Intensity
50.96276	0.2
51.94836	0.2
53.03912	0.2
55.48156	0.2
58.88551	0.2
67.05477	0.3
69.08588	1.9
73.02879	0.6
77.03859	0.3
79.05418	0.3
81.07001	0.4
85.02871	0.4
91.05437	0.9
93.07020	0.2
95.04913	0.3
95.08546	0.2
98.23364	0.5
105.03343	0.4
105.07001	0.4
107.04921	0.4
115.05427	0.2
119.04953	1.3
123.04433	10.0
131.08537	0.2
137.05956	1.5
139.05405	0.3
141.06952	0.5
147.04422	2.7
151.04079	0.2
156.04051	0.2
157.06485	0.2
158.75673	0.3
167.04877	0.6
169.06464	0.3
171.04436	0.2
181.06438	0.2
181.82500	0.2
185.05948	0.8
195.04370	1.5
197.06007	0.2
199.03911	0.5
200.16277	0.2
213.05466	10.5
214.05821	0.6
223.03850	1.9
225.05458	0.4
227.03461	0.5
227.06961	0.3
237.05507	0.2
240.04037	0.2
241.04958	6.0
242.05530	0.4
243.02869	0.4
251.03386	0.4
253.05043	0.4
255.06549	0.5
265.04791	0.3
268.03207	0.3
269.04443	15.8
270.05066	1.8
281.04428	0.9
285.03946	1.9
287.05502	4.8
287.12509	0.9
288.05637	0.3
293.04361	0.6
295.89731	0.2
297.03922	100.0
298.04340	7.6
299.05298	0.2
309.03931	0.8
311.05408	3.2
311.08694	0.3
327.04968	5.0
339.05038	1.2
385.06955	0.4
431.07657	0.4
449.08670	46.5
449.17453	1.3
450.09042	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46777	0.3
55.05484	0.5
55.94363	0.3
57.03395	0.3
58.89249	0.3
61.02905	0.5
65.13062	0.3
67.05469	1.4
68.99759	0.3
69.03405	0.9
69.07039	0.7
71.04983	0.7
71.29214	0.4
73.02922	5.6
79.05458	0.9
81.07050	1.8
83.04952	0.5
85.02898	1.8
87.90338	0.3
91.05463	1.7
93.07000	1.3
95.04955	0.5
95.08598	1.9
97.06504	0.6
99.04443	0.7
99.08083	0.4
103.05386	0.5
105.07047	1.5
107.04953	0.5
107.08544	1.3
109.06532	0.3
109.10163	1.5
111.00692	0.3
119.04957	0.6
119.08556	0.7
121.02834	1.1
121.10141	0.7
123.04436	7.2
125.09588	0.5
127.03824	0.4
131.08524	0.6
133.02821	0.5
133.10095	1.1
135.08081	0.4
135.11665	0.5
137.05974	0.4
137.09607	0.5
137.13177	0.3
139.05452	0.4
141.06956	1.3
143.10617	0.5
145.06485	0.4
145.10095	0.9
147.04410	1.9
147.11610	0.6
151.07483	0.7
153.01781	1.3
157.06528	0.7
157.10052	0.4
159.08009	0.4
159.11662	0.4
165.01785	0.7
165.09093	0.6
167.04919	0.4
167.07022	0.4
168.05682	0.7
169.06483	0.6
171.04318	0.5
173.13193	0.3
177.09071	0.4
179.04901	0.3
181.04935	0.4
183.11754	0.3
185.05965	0.8
185.09557	0.3
191.10756	0.4
195.04362	2.1
196.05202	1.4
197.06004	2.2
199.03860	0.5
207.04469	0.8
213.05467	10.3
213.49818	0.3
214.06190	2.1
223.03920	0.6
225.05505	2.0
225.07436	0.4
227.03374	0.5
231.06676	0.4
233.15317	0.8
234.15781	0.4
241.04948	6.7
242.05740	4.2
252.16692	0.4
253.04976	0.7
257.04382	0.4
258.05249	0.4
269.04443	11.8
270.05215	8.5
271.05728	0.3
283.05942	0.6
285.03955	2.1
286.04391	0.3
287.05499	32.2
288.05884	1.9
297.03925	100.0
298.04623	26.3
299.05219	2.1
309.04034	2.3
311.05423	2.2
325.03275	0.6
327.04971	8.8
328.05249	0.4
330.03668	0.6
431.07941	0.4
449.08679	80.3
450.08997	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
52.36516	0.2
53.03932	0.4
55.01857	0.5
57.03437	1.1
61.02929	2.2
68.99780	0.8
69.01231	1.2
69.01649	1.0
69.03423	3.3
71.04989	0.5
73.02898	0.9
81.03407	1.6
85.02901	9.3
87.04473	0.3
91.03938	0.9
93.03481	0.2
94.40004	0.2
97.02892	3.4
98.23359	0.5
99.04435	0.4
105.03387	0.7
105.81891	0.2
107.04937	0.6
109.02883	0.9
111.00799	1.1
111.37574	0.2
121.02856	3.6
127.03912	1.5
128.68649	0.2
129.07050	0.3
132.78917	0.2
133.02869	0.7
137.02332	1.1
141.07025	0.2
145.04927	1.0
147.04396	0.8
153.00668	0.4
153.01828	5.4
157.06479	0.4
161.06003	0.3
164.54495	0.2
165.01846	2.0
171.04398	0.6
183.02875	0.7
185.06062	0.4
203.03476	0.2
213.05428	1.5
231.06558	0.6
241.04913	1.0
258.05273	1.4
259.05948	0.7
287.05481	100.0
288.05814	5.3
299.05453	0.8
303.05219	0.2
329.06519	0.8
353.06479	0.3
365.06320	0.3
413.08847	0.3
419.35159	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03949	0.8
57.03436	1.1
61.02922	1.6
67.02470	0.5
68.99790	1.0
69.03421	4.3
69.14582	4.2
69.14938	0.7
81.03414	1.7
85.02900	8.5
97.02885	3.4
98.22626	1.2
109.02906	0.6
111.00797	1.3
111.41907	0.5
119.79144	0.5
121.02860	3.0
127.03922	1.5
135.04468	0.7
137.02330	0.8
141.15965	0.6
145.04955	1.2
147.04440	0.7
153.01808	5.3
165.01808	2.5
169.93036	0.6
172.94196	0.5
183.02924	0.9
184.53830	0.5
213.05495	1.6
241.04855	1.1
258.05200	1.1
287.05481	100.0
288.05801	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
55.01867	0.6
57.03423	0.8
61.02923	6.2
65.03931	0.6
68.99810	0.6
69.03427	1.6
71.03288	0.4
71.05001	2.2
72.05316	0.5
73.02932	1.8
74.71700	0.3
76.33521	0.3
81.03437	0.4
85.02908	7.7
86.03244	0.6
91.03949	3.0
97.02901	3.1
107.04942	0.5
111.00830	0.7
111.04409	0.4
114.58368	0.3
121.02876	4.7
127.03936	1.1
129.05513	0.7
133.02852	0.5
137.02354	0.8
145.04910	0.8
145.06554	0.4
147.04420	0.9
147.06564	0.5
153.01826	5.0
157.06546	0.5
161.06010	0.4
164.06956	0.4
165.01857	2.7
183.02885	1.0
185.05981	1.0
203.07083	0.5
213.05475	1.8
231.06549	0.6
241.05083	0.5
258.05222	1.4
259.06009	0.5
287.05487	100.0
288.05811	5.4
299.05539	1.0
300.06418	0.5
303.04910	0.7
329.06497	1.3
353.06509	1.3
387.68170	0.3
397.32581	0.3
431.09134	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03933	0.4
61.02925	5.8
65.03941	0.5
66.65557	0.4
68.99790	1.0
69.03415	0.9
69.18199	3.3
73.02909	1.5
80.91648	0.4
81.09653	0.4
85.02905	4.9
90.64238	0.3
91.03957	3.0
97.02908	2.1
105.03410	0.5
111.00768	0.8
121.02861	3.8
127.03916	5.1
137.02322	1.2
145.05020	0.6
145.06305	0.4
146.50375	0.4
147.04340	0.6
153.01828	6.0
157.06458	0.6
165.01842	2.3
183.02901	1.3
185.06009	0.7
213.05438	2.0
231.06451	0.5
241.04961	1.0
258.05255	1.3
259.06033	0.6
287.05487	100.0
288.05811	3.6
329.06506	0.6
458.47031	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
57.03424	1.3
58.62975	0.3
60.07079	0.3
60.77932	0.3
61.02900	0.4
66.20488	0.3
68.99793	0.7
69.03424	0.6
69.16373	1.3
69.16781	1.0
71.01354	0.4
71.04999	1.8
73.02914	22.0
74.03207	0.4
75.04486	1.6
85.02415	0.5
85.02901	5.2
87.04452	1.4
93.07052	0.3
97.02892	0.3
99.04446	0.8
107.05022	0.4
111.00801	1.0
111.04447	0.4
117.05468	0.7
121.02863	2.9
127.03941	0.5
127.51888	0.3
129.05449	0.5
137.02350	1.4
147.04419	0.7
153.01820	4.8
157.06409	0.3
165.01859	1.9
167.07066	0.5
168.07462	0.4
181.04842	0.4
183.02914	0.7
184.37924	0.3
185.05936	0.6
201.05528	0.4
213.05479	1.8
229.04967	1.3
231.06430	0.6
233.15300	0.4
234.15688	0.6
241.04890	1.1
252.16582	0.4
258.05188	1.1
259.05939	0.5
287.05478	100.0
288.05835	5.7
299.05545	0.6
303.04956	12.1
304.05264	0.8
315.04889	0.6
317.06409	1.9
328.06506	0.4
345.06073	0.5
357.05951	0.5
413.08395	0.8
439.29120	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
55.01876	0.2
64.17979	0.2
68.99782	0.4
69.03409	0.3
69.77316	0.8
81.03426	0.2
85.02902	0.5
97.02872	0.2
100.71046	0.2
109.02862	0.2
115.05459	0.2
121.02856	0.4
121.06524	0.2
123.04395	0.6
127.03900	0.2
129.07022	0.2
130.04948	0.3
133.02824	0.2
133.04979	0.2
137.02336	2.4
137.03383	0.3
137.05904	0.2
139.03841	0.3
144.08058	2.1
145.06482	0.3
145.08411	0.2
147.04416	0.4
147.07625	0.3
149.02365	0.6
151.03845	0.5
157.06451	0.6
161.05983	0.5
161.10759	0.3
163.03902	0.3
163.07600	0.2
165.01840	0.3
171.04330	0.2
175.03949	0.3
177.46175	0.2
185.05968	0.8
188.07852	0.2
189.05472	0.5
199.03995	0.2
213.05408	1.8
216.04071	0.2
231.06479	0.9
234.08458	0.3
241.04951	1.3
242.05840	0.2
251.09221	0.2
252.09486	0.2
269.04355	0.4
287.05475	100.0
288.05826	5.9
288.09030	0.3
303.08539	0.4
354.93811	0.2
407.15656	0.2
449.10315	0.9
449.16779	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
57.03428	0.4
62.50959	0.4
68.99800	0.6
71.01354	0.5
71.05007	0.5
71.96381	0.4
73.02921	20.1
78.05370	0.4
85.02919	3.3
85.60276	0.4
87.04501	0.9
95.93552	0.4
99.04429	1.2
99.77567	0.4
105.03390	0.4
107.04999	0.5
111.00765	0.8
117.05474	0.8
121.02863	3.1
133.02867	0.8
134.33965	0.5
137.02307	1.0
153.01810	4.9
161.91435	0.4
165.01820	2.3
171.62709	0.4
183.02859	0.9
202.96529	0.5
213.05467	1.3
241.04935	0.9
258.05212	1.3
259.05984	0.7
287.05493	100.0
288.05865	5.8
297.31503	0.5
303.05029	0.7
305.05624	1.0
317.06506	2.4
353.06995	0.5
353.93759	0.4
409.54910	0.4
413.08737	0.5
449.18042	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42091	0.5
53.03934	1.0
55.41504	0.6
57.03429	0.8
61.02926	1.2
68.99789	1.1
69.01279	6.7
69.01608	1.3
69.03433	3.3
71.05003	0.9
79.13506	0.6
81.03423	1.4
85.02910	10.8
87.04435	0.6
97.02901	3.3
109.02914	0.9
111.00816	0.6
111.04406	0.7
121.02867	2.8
127.03952	3.8
145.04942	1.3
145.77568	0.7
147.04440	0.7
153.01834	4.7
157.06427	0.8
165.01910	1.4
183.02879	0.7
213.05484	1.4
241.04953	0.8
258.05283	1.5
259.05786	0.8
287.05490	100.0
288.05911	5.8
426.74051	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
55.68714	0.1
55.93532	0.1
57.03438	0.3
60.20973	0.1
65.03931	0.2
67.55547	0.1
68.99789	0.3
69.03410	0.6
71.01368	0.2
71.30466	0.2
73.02903	0.6
81.03414	0.3
85.02900	1.3
89.90913	0.1
97.02891	0.5
97.84983	0.1
103.05480	0.1
105.07016	0.2
109.02852	0.3
115.03916	0.2
115.05437	0.3
121.02878	0.5
121.06483	1.0
123.04428	0.5
127.03921	0.4
128.06197	0.2
129.06993	0.3
133.04964	0.3
137.02341	3.2
137.05940	0.2
139.03932	0.4
139.05417	0.2
141.03224	0.1
141.06966	0.3
143.04939	0.2
145.04945	0.5
145.06439	0.3
145.73293	0.2
147.04396	0.3
149.02322	0.4
150.03110	0.2
157.06488	0.5
157.89813	0.1
161.05986	0.4
163.03888	0.5
163.05988	0.2
163.07600	0.2
165.01799	0.3
165.09081	0.2
166.09517	0.2
171.04382	0.4
175.03862	0.4
175.07512	0.3
181.44879	0.2
185.05977	0.8
187.07587	0.5
189.05472	0.5
203.06993	0.3
205.08527	0.4
205.96674	0.2
213.05463	2.8
213.07365	0.3
216.04179	0.3
217.27928	0.2
223.97733	0.2
227.03380	0.2
231.06564	0.9
232.63239	0.2
241.04965	1.3
242.05681	0.2
252.98012	0.2
259.05997	0.3
269.04407	0.6
287.05490	100.0
288.05832	6.5
394.13870	0.1
426.02582	0.3
449.10608	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.2
55.01889	2.4
57.03437	1.6
61.02917	3.3
65.03937	9.4
65.04243	0.8
67.05501	3.9
68.99795	1.4
69.03439	2.3
69.43462	1.4
69.43881	2.7
73.02936	2.4
76.90060	0.5
77.03951	1.0
78.04725	0.7
79.05505	3.8
81.03429	1.1
81.07079	1.0
82.04199	3.5
83.01357	1.1
85.02901	10.1
85.06525	0.7
89.03947	1.4
90.40456	0.6
91.03987	1.5
91.05482	10.5
93.03425	2.1
93.07040	1.5
95.04963	9.1
95.08635	0.6
97.02885	4.0
97.06536	3.0
103.05470	5.8
105.03404	0.7
105.04545	1.1
105.07037	5.6
106.04214	1.0
107.04952	7.2
108.02126	1.7
109.02924	0.6
109.06506	1.2
110.03668	4.2
111.00806	1.8
111.04452	1.9
113.02380	1.3
115.05433	0.9
117.03384	1.2
117.07013	0.6
119.04948	9.3
119.08562	3.4
120.08921	1.3
121.02860	2.7
121.06515	3.4
123.00768	1.1
123.04433	12.4
124.05255	1.0
125.02373	2.4
125.05957	3.1
127.03942	1.7
129.01822	1.0
131.04910	8.1
133.02861	1.3
133.06473	4.1
134.03635	1.2
135.04422	2.0
137.02333	1.7
137.05959	3.6
138.03125	2.2
139.03879	1.7
140.04680	35.5
141.05057	1.0
142.02574	3.3
145.02811	0.8
145.04945	1.0
145.06448	0.7
147.04416	9.6
149.02332	1.6
149.05992	5.6
151.03862	1.2
152.04584	0.8
153.01797	4.8
153.05435	4.5
154.06245	5.9
155.07021	25.4
156.07353	1.1
157.03920	1.0
159.04414	3.7
161.05984	6.0
162.03140	0.8
163.03902	2.7
165.01819	1.7
165.05473	1.5
167.07045	28.2
171.06520	3.9
173.05934	0.8
173.08073	1.7
175.03903	12.6
176.04382	0.8
177.05473	12.8
178.05984	0.8
179.03430	2.8
179.07002	1.9
181.04955	100.0
182.05487	6.2
183.02827	0.7
183.06537	5.5
187.03867	1.1
188.04657	0.8
189.05507	4.2
191.07050	2.8
193.04947	1.9
193.08611	5.6
197.08011	1.3
204.04141	1.1
205.04982	2.1
206.05823	1.4
207.06519	18.1
209.08083	0.8
213.05505	1.3
215.06966	1.0
217.04921	1.9
219.06503	3.2
221.08095	5.3
222.05183	1.8
223.05858	0.9
225.07439	1.1
231.06633	0.9
233.04289	0.6
235.05919	0.8
237.07549	1.8
243.06477	1.1
244.93811	0.7
249.07532	5.2
258.05127	1.1
265.07047	5.3
267.08630	20.6
275.08963	1.1
287.05490	67.4
288.05878	5.1
289.07016	1.2
299.05362	0.8
303.04965	0.7
305.18933	0.6
315.33585	0.6
319.11722	11.4
353.10645	0.6
353.92908	0.7
390.62326	0.7
401.11731	1.0
403.70245	0.6
449.14124	51.1
450.14606	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
56.05030	0.4
56.77383	0.3
56.89130	0.3
68.99792	0.8
81.03397	0.4
82.87200	0.3
84.04501	18.4
85.02910	0.8
85.04861	0.4
85.37099	0.3
95.04964	0.7
97.02859	0.5
97.46081	0.4
98.23441	0.9
101.07131	2.0
102.05555	0.6
103.05464	0.4
105.03393	0.5
119.04926	0.8
121.02878	0.4
123.04427	6.7
130.05000	26.8
131.05275	0.5
135.04436	0.8
137.02374	2.7
139.03879	2.9
147.04428	4.0
147.07639	30.4
148.08289	0.5
149.02267	0.6
151.03897	14.8
151.41432	0.3
152.04175	0.4
153.05484	0.4
157.06514	0.4
161.05965	0.6
163.03880	1.2
165.05513	1.4
173.06042	0.7
175.03899	0.6
179.07204	0.3
181.04941	0.6
185.05943	1.0
189.05446	0.7
193.04915	0.7
203.06894	0.5
207.06532	0.4
213.05437	2.7
230.14899	0.4
231.06625	0.6
241.04962	1.1
244.71255	0.4
269.04474	0.6
285.07541	0.4
287.05481	100.0
288.05807	6.1
303.03149	0.8
303.08591	9.5
304.08981	0.7
449.09659	1.1
449.16229	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71624	0.3
56.73668	0.4
57.03437	0.4
68.91882	0.3
69.03410	0.9
69.18192	1.7
69.18596	0.8
73.02909	0.4
80.14481	0.3
85.02893	0.8
91.05454	0.3
97.02885	0.5
98.29704	0.4
107.04872	0.3
109.21876	0.4
123.04389	0.5
137.05948	0.7
139.03900	0.9
140.04282	0.5
144.08075	7.6
153.01801	1.0
161.06003	0.5
161.10762	0.7
165.01765	0.6
167.07059	0.4
167.56828	0.4
181.04979	1.0
187.07669	0.3
203.03468	0.4
207.06319	0.4
229.05042	0.4
257.08224	0.4
259.05841	0.5
269.10046	0.4
287.05475	18.3
288.05920	1.0
299.05225	0.4
317.12036	5.2
335.09634	0.5
383.07684	0.4
449.16190	100.0
450.16620	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2663
Annotation	16alpha,17alpha-Dihydroxyprogesterone acetophenide
Peak:m/z	Relative Intensity
53.03961	0.7
55.05500	3.1
57.03429	2.9
57.07063	2.8
59.04989	0.8
65.12951	0.8
66.04870	0.7
67.05499	4.9
69.07051	2.1
69.54021	0.7
71.08623	1.9
79.05472	3.1
80.11999	0.8
81.07053	5.6
83.04965	1.6
83.08601	1.5
88.24413	0.7
91.05446	3.0
93.07045	5.9
95.04956	1.7
95.08609	8.2
97.06564	1.2
98.98483	4.7
105.03371	1.7
105.07021	5.4
107.08604	5.4
109.06474	1.1
109.10116	3.4
110.03202	0.9
111.04459	0.9
111.08038	1.9
113.00014	1.3
117.07001	1.3
119.08597	5.6
121.06475	1.0
121.10127	3.0
123.08067	1.1
123.11687	1.4
125.09643	0.9
129.06978	1.6
131.08560	2.1
133.10155	4.2
135.08038	2.0
135.11668	1.6
136.99991	4.3
137.09598	0.9
142.07701	1.2
143.08575	3.9
145.10077	3.3
147.08069	2.2
147.11636	2.7
149.09572	1.2
155.01030	3.9
155.08487	1.3
156.09331	0.8
157.10094	3.7
159.08041	1.5
159.11653	3.9
161.09593	2.9
161.13213	1.6
163.11090	0.9
169.10091	2.8
171.08018	0.9
171.11688	2.7
173.09557	2.2
173.13271	3.6
175.11179	1.6
179.08470	1.1
181.10117	1.3
182.10951	0.7
183.11659	3.2
185.13193	3.1
187.11226	1.5
189.12646	2.1
189.16409	0.8
195.11705	1.6
197.13206	2.2
199.14775	1.1
201.12744	1.7
201.16353	1.5
203.14183	1.5
207.11632	1.1
209.13242	2.6
211.14766	1.9
213.12636	1.4
215.14290	1.7
221.13184	1.4
223.14784	2.3
225.12828	1.2
225.16351	1.1
227.14171	1.0
229.15852	1.9
235.14677	1.2
239.14197	1.0
251.18016	1.0
253.15805	1.2
255.17451	1.5
255.54652	0.9
263.17941	1.0
281.19022	1.0
287.05563	1.1
287.66357	0.9
291.20944	1.1
309.21979	3.2
313.27271	2.7
335.23544	1.7
403.29861	1.0
405.27502	0.8
413.28143	0.9
421.30588	1.4
431.29694	6.2
449.26407	100.0
450.26593	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
55.01851	3.1
55.05511	20.1
55.90094	1.1
56.05848	1.3
57.03438	1.6
57.07081	1.7
57.42055	1.2
65.03962	2.7
65.25703	1.5
67.05180	1.5
67.05506	18.8
69.03416	3.8
69.07066	5.8
74.89761	1.1
77.03911	1.5
79.05492	15.0
81.07056	31.9
83.04981	84.9
83.08618	2.8
91.05477	22.9
93.07044	34.4
94.07394	2.1
95.04997	7.1
95.08605	39.2
96.08937	1.6
97.06537	4.4
98.22549	2.8
99.04445	2.7
103.05434	2.5
105.04521	2.1
105.07033	27.6
107.08588	25.1
109.06525	16.1
109.10159	11.0
111.04443	25.3
111.08082	14.7
113.06027	2.1
115.05444	3.0
117.07005	12.2
119.04901	1.4
119.08575	28.4
121.06496	7.9
121.10149	11.1
123.08097	7.6
123.11746	1.4
125.06061	1.3
128.06224	4.9
129.06995	10.0
130.07742	2.2
131.08559	16.9
132.09326	1.7
133.06485	2.4
133.10123	19.2
135.08044	10.7
135.11708	5.6
137.05983	29.0
137.09633	1.7
139.07518	8.2
141.07005	6.4
141.09077	1.7
142.07796	12.5
143.08569	20.5
144.09285	5.9
145.06499	4.1
145.10124	23.6
147.08051	7.0
147.11707	10.8
149.09631	3.7
151.07536	3.2
153.06976	3.1
154.07706	2.1
155.08527	10.2
156.09349	11.7
157.10121	30.8
158.07306	1.8
158.10788	4.7
159.08049	6.1
159.11688	25.6
160.08896	2.8
161.09596	6.2
161.13251	5.3
163.11198	3.2
165.07001	6.2
166.07701	2.2
167.08577	9.1
168.09389	5.0
169.10123	20.3
170.10918	9.2
171.07999	2.8
171.11693	23.3
172.08875	2.1
172.12364	2.9
173.09622	6.9
173.13249	10.6
175.11223	7.5
178.07794	2.4
179.08531	10.2
180.09279	4.8
181.06541	2.0
181.10126	13.6
182.10858	6.4
183.08157	1.5
183.11684	21.7
184.12465	7.7
185.09662	12.7
185.13257	17.3
186.10458	1.7
186.13947	2.3
187.11180	12.1
187.14842	4.9
189.08867	1.6
189.12743	5.3
191.08495	3.3
191.10516	1.6
192.09334	4.8
193.10127	15.6
194.10890	7.8
195.08041	4.1
195.11699	23.5
196.08855	2.9
196.12393	6.6
197.09579	2.1
197.13274	23.3
198.13968	5.5
199.11168	6.4
199.14821	18.2
200.15477	2.6
201.09053	3.0
201.12756	3.5
201.16412	1.9
203.10657	7.3
205.10149	4.9
205.12259	5.1
206.10809	5.9
207.08093	1.5
207.11720	22.3
207.13690	2.4
208.12521	7.7
209.09663	4.2
209.13252	27.4
210.10500	2.1
210.14001	6.9
211.11221	5.3
211.14836	12.9
212.15581	5.7
213.12726	5.5
213.16437	4.4
214.17119	1.9
215.14352	3.2
216.09352	1.4
217.10120	3.5
217.12144	2.8
218.10878	2.5
219.11652	9.5
220.12492	7.0
221.09703	2.4
221.13246	21.2
222.10349	2.9
222.13913	6.0
223.11263	6.8
223.14735	13.0
224.11815	2.4
224.15425	4.3
225.12808	8.1
225.16415	4.8
227.10652	1.8
227.14316	5.0
229.12328	1.6
230.10840	1.7
231.11674	5.4
231.13658	3.1
232.12399	4.2
233.09695	4.1
233.13240	14.7
234.10416	2.9
234.13907	7.9
235.11089	2.8
235.14789	21.1
236.11951	1.8
236.15430	2.7
237.12750	12.1
237.16341	12.1
238.13412	1.7
238.16994	1.6
239.10733	3.1
239.14255	7.5
239.17972	2.8
241.12296	2.9
243.11673	3.2
243.13863	4.2
244.12488	3.6
245.13277	6.4
245.15417	2.7
246.10246	2.0
246.14026	5.4
247.11134	4.0
247.14841	15.4
248.11870	1.7
248.15540	6.6
249.12823	6.0
249.16399	18.7
250.13423	1.5
250.17076	5.5
251.14267	7.6
251.17931	6.3
251.76762	1.4
252.14995	2.1
253.12144	3.4
253.15894	2.7
254.13168	1.7
255.13818	10.8
257.13077	2.8
257.15402	4.3
259.14838	5.8
260.12155	2.3
260.15573	4.7
261.12796	4.8
261.16422	11.2
262.13364	2.7
262.16980	3.6
263.14319	4.4
263.17944	16.7
264.18668	4.0
265.12338	2.1
265.15829	5.6
265.19479	7.4
266.13147	1.3
267.13910	4.6
269.12982	1.8
269.15475	3.6
271.14575	1.6
272.15536	2.3
273.12982	2.4
273.16461	5.0
274.13330	2.7
274.17142	3.1
275.14352	5.2
275.17929	11.3
276.15118	3.7
276.18600	2.1
277.15894	8.8
277.19507	5.5
278.12802	1.3
279.13889	6.4
279.17337	3.0
280.14417	1.6
281.15393	7.4
283.16922	4.3
285.16025	1.8
287.14514	3.1
287.17773	2.8
288.18616	2.0
289.15796	6.7
289.19507	11.0
290.16907	1.4
290.20132	3.1
291.17416	8.0
291.21112	8.0
292.18228	3.1
292.21381	2.0
293.15405	3.6
293.19006	4.7
293.22470	1.7
294.16150	2.9
295.16946	9.5
295.20105	2.2
299.17648	2.6
303.17398	4.4
303.21057	3.5
304.18723	1.6
304.21774	7.3
305.18961	3.5
305.22528	3.4
306.23285	3.1
307.16977	4.7
309.18478	12.7
310.19089	3.7
311.20001	4.9
313.21909	6.0
314.20224	2.3
315.17453	1.7
317.18918	8.2
318.19489	2.8
319.17191	2.0
319.20578	5.7
321.18494	3.6
321.22064	2.0
323.20047	3.1
329.19003	3.2
331.20578	3.3
332.21487	6.4
333.18585	2.7
333.22220	2.6
335.20038	14.1
337.21652	4.2
343.20645	2.0
347.20117	4.1
349.21704	4.4
350.22403	13.2
351.23035	2.3
357.18683	1.9
365.21207	2.8
371.19870	1.9
371.23972	2.3
375.19531	4.4
385.25174	5.7
389.24872	4.5
393.20499	7.7
395.23880	1.5
403.26306	56.0
404.26746	7.2
405.27866	22.1
406.27963	2.0
413.24774	13.8
431.25803	72.5
432.26086	11.5
449.26849	100.0
450.27353	12.2
472.43872	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
55.05511	47.4
56.05832	1.1
56.26812	0.8
57.03410	1.1
65.03951	1.0
67.05505	10.8
69.03416	2.3
69.07055	4.5
69.14648	6.6
71.05016	0.9
79.05490	7.0
81.03437	1.6
81.07053	11.3
83.04979	66.8
83.08617	1.0
84.05341	2.0
85.06509	1.1
91.05471	10.8
92.79095	0.8
93.07048	14.7
95.04967	3.5
95.08601	25.0
97.06565	2.1
99.04482	1.3
101.67885	0.9
105.03416	1.0
105.07027	15.8
107.08582	12.0
109.06533	3.5
109.10155	4.9
111.04449	3.1
111.08071	3.1
115.05592	1.0
117.07015	3.8
119.08578	15.9
121.06501	4.3
121.10147	6.7
123.08049	4.5
123.11704	1.6
126.64836	0.8
128.06239	2.6
129.07001	5.6
131.08572	10.2
133.10141	8.9
135.08051	4.9
135.11719	2.4
137.05995	1.7
139.07564	3.1
141.06973	2.9
141.09125	1.3
142.07773	4.9
143.08588	9.9
144.09296	1.2
145.06516	1.9
145.10115	11.9
147.08069	5.9
147.11711	4.8
149.09599	1.9
151.07458	0.9
153.06993	2.1
154.07791	1.7
155.08557	10.4
156.09361	1.9
157.06523	1.0
157.07869	0.8
157.10130	12.1
159.08046	4.5
159.11693	8.8
161.05838	0.8
161.09654	5.7
161.13222	1.8
163.11194	1.2
165.06985	3.4
166.07866	2.2
167.08600	4.2
168.09354	1.9
169.10110	6.8
170.10777	1.1
171.08046	6.2
171.11702	6.4
172.08865	1.3
173.09579	4.1
173.13264	3.7
175.11174	2.6
175.14915	0.8
177.12836	1.4
178.07742	1.4
179.08569	5.9
180.09276	1.8
181.10086	7.5
182.10941	1.8
183.08105	2.1
183.11696	7.5
184.08824	1.1
184.12384	1.1
185.09637	14.3
185.13260	3.5
187.11160	4.5
187.14815	2.1
189.09158	1.0
189.12773	3.1
191.08589	1.3
192.09335	2.2
193.10158	7.8
194.10841	3.6
195.08028	2.6
195.11635	5.6
196.08812	1.1
196.12376	2.0
197.09631	2.4
197.13243	4.2
199.11182	3.5
199.14845	3.9
201.12859	4.6
203.10632	0.9
203.14290	1.7
204.09442	1.6
205.10194	2.7
205.12215	1.8
206.10880	2.9
207.11684	10.9
208.08888	2.3
208.12337	2.9
209.09630	3.2
209.13252	9.0
210.10419	1.7
211.11198	4.4
211.14825	3.7
212.11711	1.1
213.09059	1.0
213.12744	2.9
213.16338	1.7
215.14328	3.6
217.15953	1.2
219.08246	1.2
219.11670	4.7
220.12463	2.2
221.09692	4.1
221.13165	6.8
222.10388	7.6
222.13803	1.3
223.11285	5.2
223.14764	3.9
224.11859	2.8
225.12773	7.0
225.16313	1.9
227.10733	1.0
227.14301	3.1
229.15881	1.4
230.10918	1.4
231.11639	1.2
231.13715	1.2
232.12427	2.3
233.09608	1.7
233.13214	5.2
233.15305	1.1
234.10342	1.7
234.14139	1.8
235.07405	1.0
235.11189	7.7
235.14738	4.9
236.11838	2.5
237.12727	13.9
237.16432	2.3
238.13332	1.6
239.14290	2.9
241.12169	1.8
241.15886	1.9
245.13246	1.3
246.10489	1.4
246.13821	1.1
247.11218	2.2
247.14830	2.6
248.11905	2.3
248.15553	1.0
249.12752	5.8
249.16368	4.6
250.13432	1.1
251.14316	3.4
251.17889	2.0
253.12138	1.8
255.13823	2.1
255.17355	1.1
257.13281	1.2
259.14764	1.5
261.12766	1.9
261.16403	2.1
262.13577	2.8
263.14395	5.2
263.17865	4.6
265.12332	1.6
265.15829	2.1
267.13889	1.9
267.17453	2.2
273.16278	2.5
274.16956	1.0
275.14377	3.1
275.17725	1.7
276.15128	2.6
277.08728	1.4
277.15829	7.2
281.15488	1.5
289.15863	2.9
289.19394	1.4
290.16495	2.2
291.17435	14.0
291.20828	2.0
292.18033	2.0
293.18970	3.1
293.22403	1.4
295.20584	1.7
303.17535	1.1
305.04532	1.4
305.19150	1.3
308.06674	0.9
309.18430	5.1
309.22159	5.1
311.23645	1.8
317.19012	2.2
319.05923	1.6
321.07687	0.9
325.06760	1.5
326.07877	1.2
331.20468	1.5
332.21182	2.1
335.05386	1.0
335.08853	4.0
335.19946	1.6
335.23691	2.1
349.10751	1.8
365.10123	3.4
367.11667	5.7
385.25092	2.2
389.20782	1.2
403.26199	2.7
405.27792	4.7
407.25778	1.1
413.24368	1.6
431.25659	100.0
432.26028	13.5
449.15921	4.5
449.26038	31.5
450.26511	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2686
Annotation	16alpha,17alpha-Dihydroxyprogesterone acetophenide
Peak:m/z	Relative Intensity
53.03921	2.4
55.01847	2.5
55.05510	13.9
57.03411	2.0
63.58555	1.3
65.03919	1.9
67.05505	24.9
69.03410	2.9
69.07063	9.4
70.55504	4.6
71.04961	2.9
71.35064	1.2
79.05494	15.7
81.07057	28.5
83.04983	15.7
83.08580	2.9
85.06494	2.0
88.69324	1.5
91.05481	22.7
93.07038	31.2
95.04987	8.4
95.08603	40.5
97.06480	4.8
99.04390	1.3
103.05404	1.7
105.07029	34.6
107.08588	25.4
109.06503	8.2
109.10146	12.7
111.04443	7.4
111.08072	10.9
113.05985	2.2
115.05376	1.6
117.07030	9.0
117.07677	2.0
119.06059	1.7
119.08577	31.1
121.06536	6.9
121.10146	12.2
123.08057	13.2
123.11641	3.4
128.06201	7.8
129.07018	10.9
130.07733	1.8
130.93724	1.5
131.08566	21.0
133.06445	3.0
133.10129	18.0
134.10382	1.2
135.08081	10.2
135.11673	7.7
137.05833	2.0
137.09558	1.7
139.07472	4.2
141.06894	6.4
141.09045	2.5
142.07774	10.9
143.08586	16.9
144.09262	2.1
145.06381	5.2
145.10126	26.4
146.07243	2.4
146.10419	1.8
147.08067	13.6
147.11696	12.6
149.09531	4.7
149.13208	3.3
151.07443	2.5
151.11079	2.0
153.06876	3.3
154.07703	4.0
155.08539	17.0
156.09242	5.9
157.10127	24.8
158.10590	1.7
159.08035	8.4
159.11705	16.3
161.09608	11.1
161.13153	4.3
163.11084	4.1
165.06882	5.7
166.07683	2.3
167.07162	1.4
167.08519	7.8
168.09181	4.0
169.10139	19.2
170.10770	3.3
171.08035	7.4
171.11694	13.9
173.09633	13.2
173.13281	8.1
175.11131	8.0
175.14743	1.5
177.12697	2.3
178.07671	2.7
179.08513	13.1
180.09140	4.6
181.06432	1.7
181.10089	15.4
182.10719	4.2
183.07941	3.5
183.11682	18.8
184.12064	1.5
185.09631	19.2
185.13239	9.2
186.10066	1.9
187.11169	9.6
187.14633	4.2
189.09003	2.8
189.12643	6.6
191.08427	3.2
192.09181	6.5
193.10103	17.8
194.10866	9.6
195.07971	3.3
195.11662	21.2
196.08713	2.5
196.12317	3.5
197.09647	2.7
197.13300	13.8
199.11037	4.8
199.14658	3.9
201.12730	11.9
201.16185	1.8
203.08569	2.3
203.10500	4.6
203.14273	3.0
204.09209	2.1
205.10075	6.8
206.10909	7.3
207.11700	22.6
207.13573	2.9
208.08643	2.6
208.12253	5.8
209.09477	5.1
209.13277	21.8
210.10179	3.4
210.13745	3.7
211.11163	11.0
211.14766	12.2
212.15337	1.8
213.08960	2.3
213.12740	9.6
213.16197	5.2
215.14285	13.7
217.10078	1.8
217.15720	3.4
218.10815	2.9
219.11803	9.4
219.13686	2.7
220.12222	4.7
221.09503	3.5
221.13269	18.3
222.10220	6.0
222.13756	3.5
223.11229	8.0
223.14793	10.9
224.11697	2.3
225.09082	2.0
225.12753	11.5
225.16196	3.8
227.14357	6.7
229.12140	2.9
229.15755	5.3
231.07883	1.7
231.11499	4.5
231.13710	2.0
232.12335	2.1
233.09535	1.8
233.13057	7.4
233.15190	2.7
234.13811	3.8
235.11215	8.2
235.14809	14.5
236.11627	2.5
237.12746	19.8
237.16292	7.1
238.12984	1.8
239.10463	2.0
239.14355	7.2
239.17784	1.9
241.12144	2.2
241.15704	2.9
243.11465	2.3
243.13641	3.2
244.12247	1.7
245.13060	2.7
246.10333	1.8
246.13829	2.1
247.10989	5.0
247.14851	7.5
248.11972	2.0
248.15385	3.0
249.12921	6.6
249.16400	11.1
250.16801	2.9
251.14101	6.4
251.17726	4.0
253.12053	6.1
253.15660	4.4
255.13641	8.1
255.17111	2.8
256.14490	1.7
258.14023	2.0
259.14532	5.1
261.12616	5.5
261.16190	5.1
262.13309	2.4
262.16739	1.6
263.14169	7.3
263.17792	7.4
265.15668	4.3
265.19391	3.6
267.13528	4.1
267.17172	6.0
269.15210	4.0
273.12726	1.9
273.16144	4.8
275.14120	5.2
275.17407	2.1
276.14984	2.4
277.15598	9.9
277.18738	2.2
279.17178	4.2
281.15338	3.6
281.18765	6.4
287.05353	2.9
287.13940	1.6
289.15735	2.9
289.19150	3.5
290.16553	3.2
291.17407	16.1
291.20523	3.0
292.17749	3.9
292.20966	1.6
293.18781	4.2
295.16931	3.1
295.20221	2.9
299.14096	1.7
299.17737	1.8
303.16995	2.1
304.17462	1.7
305.18521	2.3
307.16837	2.0
307.20203	2.9
309.15204	1.4
309.18207	13.6
309.21872	8.6
310.18768	2.1
311.16504	1.6
311.19980	1.8
311.23282	1.5
317.18661	3.7
319.20367	1.5
321.18188	1.8
321.21719	3.1
331.20270	2.3
332.21118	3.7
333.18161	1.8
333.21915	1.9
335.19626	3.8
335.23502	3.6
350.22058	2.3
361.20871	1.5
371.23657	1.6
385.25018	4.1
389.24838	7.6
395.29047	1.3
396.29199	2.5
403.25906	8.2
403.30515	2.1
405.27905	25.4
406.28152	2.3
407.25378	6.6
413.24451	7.7
413.29059	2.0
421.26978	3.0
431.25497	100.0
432.25861	12.3
449.26279	99.5
450.26511	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.05498	7.1
65.03933	4.4
67.05511	18.3
69.03425	10.1
69.07057	5.7
71.31457	2.7
79.05489	17.4
79.33539	2.7
81.07057	26.2
81.34900	2.6
83.04986	4.9
87.84144	2.3
91.05479	50.3
93.07048	22.0
95.04945	9.7
95.08608	14.5
97.06510	5.4
103.05465	11.1
105.07037	44.0
107.04946	5.4
107.08595	26.3
109.06529	11.7
109.10132	12.9
111.04451	8.9
111.08083	3.1
115.05437	7.2
115.47680	2.5
117.07005	25.4
119.04967	3.0
119.08579	64.0
121.06521	6.0
121.10154	15.1
123.04436	5.3
123.08062	5.5
128.06183	8.5
129.07036	17.9
129.42920	2.4
131.04904	6.8
131.08565	30.5
133.10107	16.6
135.08055	7.6
135.11623	3.3
137.05972	32.6
139.07500	2.8
141.07005	7.2
142.07747	8.6
143.08556	22.2
144.09296	5.1
145.06450	13.3
145.10121	30.9
147.08043	87.2
147.11668	8.0
148.08426	3.6
149.06032	2.4
149.09644	6.4
151.07526	11.0
151.08618	2.8
153.07002	3.9
154.07819	5.6
155.05013	2.7
155.08543	33.4
156.09303	8.3
157.06508	3.3
157.10138	25.4
158.07259	3.5
158.10678	2.9
159.08075	13.7
159.11710	31.3
160.12355	3.4
161.06087	3.8
161.09610	9.9
161.13213	6.4
163.07532	11.8
165.06969	7.3
165.09087	29.3
167.08586	12.7
168.09229	5.7
169.06476	3.2
169.10141	23.6
171.08084	6.4
171.11671	11.4
172.08765	4.7
173.09645	15.4
173.13277	18.7
175.07503	10.7
175.14905	3.2
177.09087	7.6
178.07819	2.3
179.08492	10.1
180.09145	2.2
181.06508	4.3
181.10155	12.3
182.10872	3.4
183.08057	7.2
183.11668	14.4
185.09633	6.6
185.13284	4.2
187.07558	4.9
187.11212	4.0
187.14886	5.7
189.09033	4.2
191.08501	3.2
192.09464	3.8
193.08603	6.1
193.10124	11.2
194.10835	4.6
195.08081	4.0
195.11699	14.7
196.12384	3.5
197.09596	8.3
197.13165	14.1
201.09105	6.5
204.09268	2.6
205.08549	3.2
205.10234	2.8
207.11644	8.7
208.12399	4.9
209.09573	6.8
209.13220	9.7
211.11229	14.4
211.14803	24.2
212.11911	2.6
212.15445	8.6
213.12904	3.3
213.16388	20.6
215.14445	2.8
219.09946	4.1
219.11853	4.8
221.09677	8.5
221.13249	6.2
223.11223	6.0
223.14801	10.3
224.11969	4.4
224.15465	4.1
225.12755	7.1
225.16357	13.2
227.10629	2.5
227.17844	4.1
230.10847	3.9
231.11699	3.2
233.13103	3.9
235.11244	5.6
235.14783	3.6
237.12883	5.4
237.16376	8.6
238.13568	3.3
239.10672	27.4
239.14247	13.6
239.17952	15.1
240.18369	3.1
241.12288	3.8
243.13867	2.5
249.12744	5.7
249.16444	6.3
251.17751	4.0
253.12228	9.0
253.15822	2.9
255.09943	3.0
255.13887	6.1
255.17438	4.6
257.11670	11.9
263.14337	6.8
263.17786	2.8
267.13794	4.4
271.13138	3.5
275.14374	3.6
283.16800	4.6
287.05505	10.0
291.13956	3.6
293.11768	3.3
293.18787	5.5
295.49658	2.8
297.04034	4.6
309.14960	3.1
333.22125	5.1
344.28891	2.4
355.20386	5.1
357.18506	3.7
383.20093	8.8
385.25201	10.3
387.23340	12.3
395.23642	6.5
398.22433	5.2
401.20953	8.1
403.26373	7.5
405.24207	20.0
406.24762	4.4
413.24796	67.5
414.24948	7.2
419.21948	5.8
431.25793	93.6
432.26254	9.4
434.24271	6.6
449.19543	29.7
449.26599	100.0
450.27023	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2687
Annotation	16alpha,17alpha-Dihydroxyprogesterone acetophenide
Peak:m/z	Relative Intensity
55.05512	2.6
57.03449	0.7
57.07088	0.7
64.47385	0.5
67.05502	6.5
69.03423	1.4
69.07062	1.9
69.27451	1.5
69.27848	2.3
71.05012	0.9
79.05496	3.4
81.07060	5.4
83.04988	3.9
83.08643	0.5
85.06563	0.5
85.76958	0.5
91.05471	4.7
93.07043	7.6
95.04984	1.8
95.08607	10.7
96.08944	0.6
97.06546	0.7
99.04482	0.5
103.05450	0.9
105.07034	7.1
107.04974	0.8
107.08595	4.8
109.06481	1.4
109.10165	1.9
111.04478	1.4
111.08099	2.4
115.05424	0.8
117.07009	1.7
119.08578	6.3
121.06522	1.5
121.10168	2.4
122.46938	0.6
123.08066	3.0
123.11716	0.8
128.06241	2.0
129.07011	2.5
130.07779	0.7
131.08551	4.2
133.10143	3.2
135.08084	1.3
135.11693	1.0
137.09703	0.5
141.07040	1.6
142.07780	2.9
143.08556	5.1
145.10133	5.4
147.08047	2.5
147.11740	1.8
149.09624	1.0
153.06956	0.7
155.08543	6.2
156.09317	0.7
157.10147	7.2
158.10617	0.6
159.08015	1.3
159.11688	3.8
161.09616	2.5
161.13249	0.6
165.07037	1.9
166.07797	0.8
167.08591	2.8
168.09317	0.7
169.10133	6.9
171.08069	1.5
171.11732	3.1
173.09615	0.8
173.13269	1.4
175.11259	1.2
178.07761	1.0
179.08597	4.0
180.09326	1.3
181.10088	4.0
182.10841	1.1
183.08037	1.1
183.11671	3.8
184.12206	0.7
185.09642	8.2
185.13274	1.1
186.10085	0.8
187.11171	2.1
187.14819	0.8
189.12744	1.2
191.08620	0.8
192.09305	2.5
193.10107	5.0
194.10858	2.6
195.11723	5.9
196.12317	1.2
197.09633	1.1
197.13263	2.8
199.11168	1.9
199.14830	1.3
201.12773	0.8
205.10129	1.9
206.10939	2.8
207.11720	8.2
207.13667	0.9
208.12343	2.0
209.09668	1.5
209.13254	7.7
210.10281	1.1
210.13574	0.8
211.11172	2.0
211.14784	1.7
213.09081	1.1
213.12660	0.8
215.14410	0.9
217.10185	1.3
219.11732	3.1
220.12440	1.2
221.09683	1.2
221.13278	7.1
222.10381	2.5
222.13741	1.3
223.11182	2.9
223.14760	3.0
224.11858	0.8
225.12776	3.7
227.14290	1.4
231.11726	0.9
232.12436	1.0
233.09680	0.6
233.13164	2.8
234.14052	1.5
235.11201	4.0
235.14799	3.2
236.12003	1.0
236.15193	0.8
237.12744	8.4
237.16415	1.4
238.13138	1.2
239.10689	1.2
239.14381	1.2
241.15900	0.6
243.11671	1.2
244.12314	0.6
245.13173	0.9
246.10414	0.7
246.14084	0.8
247.11256	1.1
247.14835	1.8
248.11957	1.1
248.15616	1.3
249.12796	4.3
249.16353	3.4
250.13364	0.8
251.14311	1.6
251.17990	1.0
253.12260	1.2
253.15689	0.6
255.13814	1.8
257.13135	0.7
258.14084	0.8
259.14865	1.6
260.15408	0.6
261.12906	2.6
261.16388	1.2
262.13510	1.8
263.14404	3.4
263.17899	4.0
265.12317	0.7
265.15826	1.6
265.19489	1.4
267.13837	1.6
273.16403	2.3
275.14285	1.9
275.17969	0.6
276.15045	1.8
276.18039	0.6
277.15921	5.9
277.19061	0.9
278.16382	1.2
287.14343	0.8
289.15872	1.7
289.19058	1.1
290.16730	1.1
291.17438	8.2
291.20645	0.9
292.18045	1.5
293.18939	2.0
295.16650	0.6
303.17535	0.7
305.18826	0.9
308.17694	0.6
309.18494	6.5
309.21805	1.0
310.18832	1.0
311.20041	0.7
317.18994	1.7
332.21216	1.4
335.19962	1.0
385.25211	1.2
403.26102	2.6
405.27838	9.1
406.28021	1.3
407.25745	1.2
413.24570	2.6
414.24728	0.7
431.25754	100.0
432.26038	12.1
449.26492	29.1
450.26950	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
54.58249	0.7
55.05514	38.1
57.03418	0.9
59.05007	0.8
62.35041	0.6
67.05512	10.6
69.03448	1.5
69.03805	6.5
69.07074	3.2
70.35494	0.7
71.04986	1.0
73.48727	0.8
79.05499	4.5
81.07061	8.4
83.04984	54.5
83.08636	1.2
84.05341	1.1
91.05481	9.5
93.07050	10.4
94.07371	0.7
95.04987	2.9
95.08608	18.8
97.06552	1.0
99.04478	0.9
105.03371	1.3
105.07030	11.7
107.08599	7.9
109.06535	2.0
109.10148	3.8
111.04457	2.2
111.08105	3.9
113.06021	0.9
117.06992	3.5
119.08585	8.5
121.06516	4.9
121.10155	4.2
123.08085	3.3
128.06247	3.1
129.07034	4.6
130.07755	1.1
131.08569	7.8
133.06474	0.7
133.10126	7.0
135.08054	2.8
135.11703	2.5
137.05971	0.9
139.07594	1.5
141.06996	3.1
141.09239	0.7
142.07800	6.2
143.08571	8.7
144.09306	1.0
145.06500	1.7
145.10149	8.2
146.07227	1.4
147.08043	5.0
147.11668	2.4
153.06995	2.0
154.07828	1.2
155.08559	9.4
156.09315	2.8
157.10152	9.6
159.08058	5.3
159.11740	4.6
161.09642	5.1
161.13202	0.8
165.06999	4.0
166.07823	1.3
167.07249	0.8
167.08562	4.3
167.09810	0.8
168.09294	1.1
169.06491	1.1
169.10124	6.2
170.07320	1.3
171.08064	8.3
171.11687	4.0
173.09653	2.4
173.13300	1.0
175.11227	1.6
179.08546	5.0
180.09294	2.1
181.06467	0.7
181.10136	7.5
182.07188	0.8
182.10948	1.9
183.08049	1.1
183.11723	6.0
184.12279	0.8
185.09625	13.6
185.13319	2.0
187.11293	1.8
189.09192	0.9
191.08588	1.7
192.09363	3.4
193.10120	8.0
194.10878	4.4
195.08157	2.3
195.11725	7.0
196.08752	0.9
196.12379	1.2
197.09732	1.8
197.13290	4.5
199.11224	2.4
203.08655	0.8
203.10693	1.7
205.10176	2.9
206.10942	2.9
207.11676	9.5
208.08907	2.5
208.12386	2.3
209.09605	3.6
209.13210	9.5
210.10298	2.0
211.11192	5.3
211.14832	2.4
213.09224	0.8
213.12724	1.5
217.10085	1.3
219.11697	2.9
220.09079	0.8
220.12381	2.3
221.09630	2.7
221.13263	7.9
222.10393	5.6
222.13876	1.4
223.11174	6.0
223.14777	4.2
224.11987	1.3
225.12737	5.4
225.16354	1.2
227.14336	1.4
229.10181	1.1
231.11708	1.7
232.12366	1.2
233.09717	1.3
233.13214	3.5
234.10361	1.7
234.13972	1.6
235.11176	9.9
235.14778	4.4
236.11917	3.0
237.12752	13.1
237.16357	1.2
238.13507	1.1
239.10822	1.1
239.14195	1.2
241.12222	1.6
243.13850	0.8
245.13202	1.6
246.10326	1.0
246.13931	0.9
247.11185	2.4
247.14906	2.8
248.12062	1.3
248.15433	0.9
249.12753	4.3
249.16449	5.0
250.13527	1.5
250.16898	1.4
251.14297	4.0
253.12285	2.1
253.15906	0.8
255.13838	2.5
259.11356	1.0
259.14673	1.5
261.12762	2.4
261.16241	1.3
262.13480	2.4
263.14291	6.9
263.17963	3.0
264.15015	0.7
265.16165	0.7
265.19415	1.1
267.13986	0.8
269.15485	1.0
273.16315	1.5
275.14352	3.1
275.17987	1.2
276.15137	2.6
277.15802	6.8
278.16278	1.3
281.15317	0.8
289.15805	2.3
289.19281	0.7
290.16550	2.1
291.17432	13.4
291.20596	0.6
292.18112	2.1
293.19080	1.0
295.17068	1.4
303.17535	1.2
304.18460	0.7
309.18411	3.9
311.20129	1.1
317.18988	2.8
332.21381	3.4
335.09265	1.0
337.10791	0.9
367.11807	8.5
385.25461	0.9
403.26285	7.2
405.27902	11.7
406.28101	1.1
413.24741	2.0
431.25815	100.0
432.26163	8.7
449.26468	26.6
450.27313	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41021	1.9
53.03926	4.4
54.75722	1.9
54.82629	2.1
55.01846	2.6
55.05516	12.2
57.07050	4.1
58.30929	2.1
60.93364	2.3
67.05510	26.2
69.03403	6.1
69.07078	11.2
70.32745	1.9
71.04978	4.5
71.08582	2.0
71.30292	3.3
79.05494	13.0
81.03426	2.7
81.07058	19.5
83.04570	2.2
83.04985	21.0
83.08600	3.4
91.05482	23.6
93.07050	36.1
95.04931	7.2
95.08605	57.5
97.06489	7.6
99.00741	1.8
102.91702	2.1
105.07032	24.7
107.04897	3.3
107.08598	23.8
109.02838	2.0
109.06473	7.3
109.10178	12.5
111.04462	10.1
111.08071	14.2
115.05427	3.6
117.07022	12.3
117.19086	2.1
119.07789	2.8
119.08582	37.9
121.06509	11.8
121.10147	15.2
123.08060	14.7
123.11649	7.2
127.03878	7.3
128.06163	6.1
129.06982	10.7
130.07693	3.0
131.08543	20.3
133.06410	3.0
133.09387	1.8
133.10118	21.0
135.07977	8.7
135.11635	7.0
137.05896	3.7
137.09566	3.1
139.07510	9.1
141.06924	6.1
142.07715	8.2
143.07623	2.1
143.08572	26.3
144.09274	3.1
145.06477	5.0
145.09180	2.5
145.10114	28.9
147.08023	10.9
147.11710	14.2
149.09561	7.1
151.07498	3.5
152.06194	2.2
153.05486	2.5
153.06961	4.5
154.07681	4.2
155.08571	20.2
156.09265	6.7
157.10141	23.9
158.10580	2.2
159.07988	8.1
159.11687	19.3
161.09653	13.0
161.13203	4.0
163.11095	6.1
165.06960	6.4
166.07695	2.6
167.07150	2.4
167.08513	9.0
168.09282	3.4
169.04951	2.7
169.10123	22.1
170.10854	3.2
171.08035	11.7
171.11678	18.3
172.08766	3.3
173.09615	12.6
173.13203	6.4
175.11079	7.5
177.12706	3.1
178.07706	3.5
179.08572	11.3
180.09299	6.0
181.10088	17.7
182.10876	3.5
183.07979	5.0
183.11699	23.3
185.09648	9.7
185.13199	8.9
187.11166	28.8
187.14743	3.2
189.09042	4.3
189.12808	9.8
191.08571	3.4
191.10489	2.1
192.09245	5.8
193.10120	21.0
194.10875	11.1
195.08057	3.9
195.11687	27.7
196.12300	5.3
197.09531	5.6
197.13260	13.4
198.13913	3.8
199.11211	12.5
199.14641	5.9
201.12706	4.5
203.10513	3.0
204.09145	3.2
205.10091	5.2
205.12134	8.2
206.10730	5.7
207.11694	29.5
208.12277	6.1
209.09755	3.8
209.13235	25.7
210.13882	4.1
210.43233	2.2
211.11108	7.9
211.14795	10.5
213.09074	3.5
213.12691	17.0
215.14111	4.7
218.10939	3.5
219.11606	9.6
220.12366	4.4
221.09572	3.4
221.13269	19.7
222.10292	5.4
222.13821	3.2
223.10988	6.9
223.14743	12.3
225.12631	8.4
227.14221	4.9
229.12177	3.7
230.10860	2.1
231.11671	4.8
232.12317	2.7
233.09573	2.5
233.13268	11.1
234.13838	6.4
235.11049	6.5
235.14824	13.4
237.12740	13.8
237.16290	4.1
239.14302	13.5
241.15819	3.2
243.13734	3.0
245.13081	5.2
245.15335	3.3
247.11020	3.0
247.14622	5.6
248.15332	3.2
249.12483	4.4
249.16382	10.5
251.14207	9.0
251.17883	3.0
253.12149	8.3
253.15804	4.4
255.13730	15.3
255.91280	2.3
259.14725	4.8
261.12579	4.7
261.16281	3.9
263.14206	5.8
263.17862	9.8
265.15820	4.3
267.13684	4.9
267.17462	2.8
269.15155	6.7
273.16214	4.3
275.14178	4.1
275.17715	3.6
276.14737	4.0
277.15771	4.2
281.15250	7.4
281.18695	3.2
287.14328	3.2
289.19223	2.7
291.17496	9.7
291.20520	2.1
293.18881	2.6
295.16660	6.2
301.15680	3.2
309.18277	7.5
309.21619	2.7
310.19189	2.8
311.20093	2.4
314.20193	2.8
317.18796	6.8
319.20389	4.5
332.20990	5.1
335.19827	5.0
349.21024	2.8
375.19174	3.2
385.25095	4.0
389.24686	3.7
403.26080	6.9
405.27670	8.0
413.24292	8.2
415.26089	8.4
421.27133	2.7
431.25589	47.7
431.30713	4.5
432.25983	4.5
449.26523	100.0
450.26736	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.3
55.01846	2.5
55.05512	10.5
65.03912	2.7
67.05501	16.4
69.03403	4.0
69.07030	8.5
69.07388	2.2
69.46612	12.6
79.05481	12.8
81.03407	3.3
81.07050	14.8
83.04983	14.7
83.08585	3.4
91.05479	21.3
93.07043	29.7
94.42466	2.2
95.04953	10.0
95.08607	39.6
97.06476	5.3
103.05434	2.2
105.03337	5.7
105.07026	25.6
107.07977	2.2
107.08581	25.6
109.02871	2.3
109.06449	7.4
109.10153	10.5
111.04382	8.0
111.08080	11.4
115.05394	3.7
117.06941	7.6
118.76263	1.8
119.04843	3.5
119.08583	24.4
121.06419	8.9
121.10149	10.4
123.08050	9.1
123.11636	3.1
128.06166	4.6
129.06911	7.3
131.04852	8.4
131.08554	12.4
132.09227	2.2
133.06396	4.6
133.10130	15.5
135.08098	9.7
135.11635	5.8
137.05904	6.5
139.07446	3.8
141.06906	4.6
141.09004	3.9
142.07744	9.9
143.08572	16.2
144.09239	2.7
145.06479	12.3
145.10120	16.9
147.08055	15.2
147.11610	4.6
149.09554	4.8
152.06136	1.8
153.06931	2.2
154.07738	4.1
155.08571	11.4
156.09212	6.7
157.06413	4.2
157.09123	1.7
157.10094	19.0
159.08054	14.4
159.11699	10.1
161.09618	12.1
161.13206	6.0
163.11105	2.2
165.06879	5.7
166.07678	2.4
167.08430	7.3
169.06398	4.7
169.10091	13.4
171.07919	8.8
171.11646	12.2
173.09485	7.3
173.10828	2.5
173.13159	3.0
174.10333	3.7
175.11057	8.2
179.08388	5.9
180.09125	2.8
181.06317	3.0
181.10011	8.3
181.11946	1.8
182.07187	4.8
183.07948	8.3
183.11656	11.0
185.09557	14.5
185.13132	5.8
187.07455	2.1
187.11040	7.2
187.14774	2.2
189.12753	10.3
192.09193	4.8
193.10190	10.5
194.10930	2.2
195.08020	10.7
195.11693	12.4
196.08640	7.0
196.12274	2.2
197.09599	9.4
197.13156	8.4
198.10236	4.2
199.11176	9.5
199.14711	4.7
201.12755	4.2
203.10477	3.3
203.14282	2.3
205.10150	3.3
206.10730	4.6
207.07999	3.5
207.11752	9.8
208.08720	3.8
208.12303	4.1
209.09682	9.2
209.13271	11.4
210.10219	4.8
211.11180	11.7
211.14685	5.3
212.11758	2.2
213.09087	3.5
213.12593	7.7
213.16307	2.5
215.14229	4.2
217.09982	2.6
219.07867	2.0
219.11472	5.5
220.08694	2.6
220.12352	4.2
221.09418	5.9
221.13103	7.9
222.10208	5.3
223.11307	9.6
223.14583	5.5
224.11649	3.3
225.12723	16.4
225.16165	3.2
226.13123	2.5
227.14113	6.8
229.15749	2.4
233.13109	4.7
234.10156	4.3
234.13686	2.4
235.11143	10.9
235.14650	5.1
236.11697	4.2
237.12662	17.2
237.16296	3.3
238.13300	3.9
239.14124	6.7
243.13632	6.0
247.11072	4.0
247.14525	4.4
248.15256	2.4
249.12753	9.4
249.16171	4.9
250.13379	3.5
251.14313	11.1
251.17914	2.5
252.14725	2.0
253.12088	2.2
253.15585	6.3
255.13829	12.9
261.12512	3.7
261.16312	2.7
263.14148	6.2
263.17520	2.0
264.14920	2.4
265.15692	9.6
266.16492	2.5
267.13611	3.2
267.17154	3.4
269.15195	5.3
275.17899	2.7
277.15601	5.6
279.17105	5.8
281.18698	3.6
283.20477	2.6
287.05432	3.2
289.15683	3.4
290.16309	2.4
291.17471	15.5
292.17841	3.5
293.18851	4.6
293.22424	3.1
295.16641	2.5
303.16928	2.5
307.20337	3.1
309.18478	13.8
309.21753	3.3
317.18741	4.3
332.20914	4.2
335.19678	2.7
335.23325	3.4
391.22260	7.3
403.25735	2.9
405.24197	18.2
406.24301	3.1
407.25455	3.3
413.24124	4.8
421.26828	6.3
431.20117	3.9
431.25314	67.3
432.25632	6.0
449.26309	100.0
450.26834	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.7
55.01888	3.9
55.05512	32.4
57.03432	8.1
57.07079	10.4
57.24601	2.3
59.04977	2.9
63.14220	2.4
65.03933	4.3
67.05505	49.1
67.05839	4.2
69.03437	8.5
69.07072	33.7
71.04978	3.6
71.08636	5.2
71.30370	4.0
79.05504	31.4
81.03410	4.1
81.07056	61.7
82.07386	2.6
82.46381	3.2
83.04982	31.7
83.08606	14.3
85.06509	2.7
91.05482	51.8
91.06008	4.0
93.07046	66.6
93.07627	4.9
95.04961	25.1
95.08608	100.0
97.06544	20.2
97.10154	3.0
98.98475	8.3
103.05474	3.4
104.46272	2.5
105.07037	64.8
107.04961	3.6
107.08596	61.9
107.09279	4.3
107.98544	2.4
109.06537	17.8
109.10168	34.2
111.04441	14.5
111.08069	20.4
112.43401	2.7
113.06007	5.1
115.05421	5.0
117.07027	24.8
119.04938	2.7
119.08585	62.0
121.06503	21.7
121.10145	41.4
123.08077	34.8
123.11706	10.7
125.06047	5.0
125.09651	8.1
128.06207	12.0
129.07011	22.3
131.08572	51.4
131.09496	4.5
133.06514	5.3
133.10133	49.6
135.08064	24.2
135.11691	17.9
137.00041	6.8
137.06018	5.4
137.09622	8.6
137.13313	3.8
139.07545	9.4
141.06996	10.8
141.09094	4.9
142.07759	20.7
143.08575	41.9
144.09270	8.3
145.06476	9.9
145.10121	72.2
147.08035	18.5
147.11679	28.9
149.06039	5.7
149.09612	14.6
149.13281	7.1
151.03734	2.9
151.07539	6.9
151.11227	2.9
153.05527	6.6
153.07016	3.3
154.07762	6.1
155.01071	9.5
155.07167	4.5
155.08530	31.8
156.09335	11.9
157.10130	69.2
158.10915	6.9
159.08049	37.1
159.11696	56.4
160.08852	2.3
160.12132	2.6
161.09634	36.5
161.13269	19.5
163.11220	10.2
163.14873	3.2
165.07019	10.7
165.12758	8.1
166.07803	4.3
167.07039	6.4
167.08609	15.0
168.09335	7.6
169.10127	46.9
170.10852	8.3
171.08084	11.7
171.11688	48.7
172.08904	3.4
173.09625	28.3
173.13261	25.4
174.10313	3.0
175.11195	20.3
175.14835	7.6
177.09123	3.0
177.12840	5.8
179.08534	16.0
180.09370	8.9
181.10138	23.7
182.10927	8.3
183.08153	4.9
183.11674	37.4
184.12482	5.6
185.09625	31.4
185.13263	30.0
186.10249	4.7
187.11189	39.8
187.14792	20.3
189.09177	4.2
189.11282	3.0
189.12718	15.3
189.16466	4.5
191.08551	6.2
191.14363	4.4
192.09344	6.6
193.10162	20.0
193.11693	2.9
194.10916	12.0
195.11696	27.6
196.12404	8.8
197.09608	9.1
197.13257	28.4
198.10397	4.1
198.13940	3.0
199.11191	16.4
199.14848	15.5
201.12747	74.1
201.16377	4.8
203.10548	3.2
203.14316	12.4
205.10107	10.0
205.12120	5.3
206.10872	5.9
207.11702	36.4
207.13654	4.8
208.12454	8.1
209.09682	7.7
209.13248	29.8
210.10332	4.7
210.13954	4.1
211.03627	3.2
211.11201	15.4
211.14822	26.0
212.12091	5.3
213.12738	17.6
213.16312	18.2
215.14345	44.6
216.14720	4.1
217.10167	5.9
217.15955	9.8
218.10794	2.8
219.11699	11.4
219.13863	8.0
220.12567	9.6
221.09645	3.6
221.13275	26.5
222.10468	3.7
222.14037	5.6
223.11263	11.2
223.14812	26.9
224.11864	5.4
225.12721	16.0
225.16368	9.9
227.14319	22.4
229.12265	3.2
229.15851	25.7
230.10855	2.7
231.11703	6.6
231.17395	3.7
232.12401	4.9
233.13309	15.7
233.15393	4.9
234.13962	7.3
235.11220	6.1
235.14871	16.7
236.15591	3.9
237.12869	13.4
237.16403	15.7
239.14301	9.1
239.17934	7.1
241.15862	11.8
241.19554	2.9
243.11639	4.0
243.17514	7.2
244.12236	4.1
244.94624	2.8
245.13289	7.7
246.13928	3.7
247.14906	17.7
248.15599	5.4
249.12697	6.3
249.16418	19.0
250.13318	3.4
251.14357	11.8
251.17949	7.0
253.15897	16.1
253.19472	5.1
255.13972	5.5
255.17459	8.8
257.18991	4.9
258.14148	3.4
261.16330	10.3
263.14267	5.1
263.17957	22.4
264.18579	3.6
265.15942	12.5
265.19449	5.7
266.16669	4.7
267.14130	2.6
267.14825	2.7
267.17422	14.4
269.15570	4.0
269.19098	3.8
273.16476	3.3
274.17017	4.9
275.14749	5.3
275.17935	8.6
277.15952	7.7
277.19592	7.0
279.17444	13.0
279.20856	4.2
280.17715	3.0
281.15689	3.9
281.19012	14.8
281.22064	2.8
287.17819	4.4
289.15784	4.3
289.19366	3.2
291.17517	15.1
291.21118	18.9
292.18164	3.3
293.19037	8.0
293.22552	4.1
295.17084	4.4
295.20557	7.1
297.18539	3.9
305.19089	5.8
307.17224	5.0
307.20560	13.1
309.18433	12.8
309.22009	63.7
310.22433	6.3
311.20145	5.7
311.23679	5.7
313.27423	4.4
317.19043	5.6
317.22641	4.2
319.16635	4.0
319.20306	3.5
321.22153	5.7
329.18878	3.0
333.22079	4.1
335.19958	8.5
335.23764	18.5
351.22937	3.5
373.24988	4.3
375.22897	3.9
375.27188	12.1
385.25275	6.2
389.24698	8.1
403.26132	11.0
403.30096	14.1
406.25262	2.7
407.25241	4.8
413.24597	9.9
413.28748	8.4
421.26953	5.8
431.25403	34.5
431.29666	53.9
431.35727	3.0
432.25479	5.3
432.30627	5.9
449.26437	64.9
449.30804	69.3
450.27072	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2688
Annotation	16alpha,17alpha-Dihydroxyprogesterone acetophenide
Peak:m/z	Relative Intensity
51.89165	1.4
53.03953	3.3
55.01861	5.7
55.02130	1.5
55.05517	21.6
57.03423	6.4
57.07078	1.7
65.03938	4.6
67.05507	50.4
69.03415	4.3
69.07077	15.7
71.01346	1.8
71.04980	4.2
71.30269	2.5
73.04124	1.6
79.05058	2.7
79.05492	32.9
81.03403	4.5
81.07063	36.7
82.07371	2.9
83.04976	18.6
83.08588	5.9
85.06540	3.3
88.09499	1.5
91.05480	34.6
93.07046	49.0
94.07353	2.0
95.04961	10.2
95.08603	40.7
97.06544	11.4
97.10163	3.9
104.79343	1.6
105.03378	6.5
105.07030	29.8
107.04948	4.8
107.07961	2.1
107.08601	30.5
109.06503	6.5
109.10158	9.2
111.04428	5.2
111.08094	9.4
115.05412	4.4
117.07023	10.4
119.04841	2.1
119.08582	25.3
121.06525	10.5
121.10152	14.2
123.08102	11.2
123.11655	2.1
125.09653	1.6
128.06206	7.1
129.07045	11.1
131.04942	2.2
131.07857	1.4
131.08578	15.0
133.06497	3.8
133.10132	15.6
135.08064	10.0
135.11679	21.1
137.05942	2.1
137.09598	4.1
139.07549	3.9
141.07011	3.5
142.07764	9.1
143.04839	2.1
143.08562	16.3
145.06453	4.7
145.10132	18.0
146.86037	1.7
147.08070	14.2
147.11638	5.7
149.09599	4.8
149.13226	6.9
153.06935	2.6
154.07751	3.3
155.08582	14.7
156.09250	5.0
157.10132	23.2
159.08032	5.5
159.10577	1.9
159.11707	17.0
161.09645	10.2
161.13234	3.0
163.11174	3.6
165.06966	6.1
167.08556	6.4
168.09296	3.4
169.10136	12.8
170.10660	1.5
171.08017	6.2
171.10405	1.7
171.11720	8.6
173.09552	8.0
173.13258	5.1
175.11159	6.0
177.12738	2.6
178.07742	2.6
179.08553	7.5
179.10825	1.6
180.09259	4.6
181.06558	2.2
181.10071	10.9
181.12236	2.4
182.07127	1.6
182.10783	4.7
183.08083	4.1
183.11693	10.0
184.08829	1.8
185.09674	10.8
185.13205	6.1
187.11168	8.7
187.14850	2.2
189.09143	2.2
189.12758	5.0
190.13145	1.6
191.08452	2.2
192.09250	6.0
193.10132	10.9
194.10826	5.1
195.07999	7.0
195.11615	11.1
195.13487	3.3
196.12318	3.3
197.09549	5.1
197.13229	9.8
199.07642	2.4
199.11111	5.4
199.14795	3.3
201.09010	1.9
201.12668	4.3
203.10692	7.4
203.14227	1.7
205.10065	6.0
206.10849	4.3
207.11694	14.5
208.12309	3.5
209.09517	5.9
209.13264	13.7
210.10291	3.5
210.13782	1.9
211.11148	8.5
211.14812	6.2
212.11575	2.5
213.12657	4.4
215.10638	2.0
215.14342	3.5
217.10034	2.7
217.12157	3.2
218.10820	2.2
219.08072	3.5
219.11638	7.0
220.12328	4.5
221.09596	5.6
221.13261	14.4
222.10268	6.0
222.13788	3.1
223.11142	6.8
223.14766	6.6
224.11606	2.2
225.12787	11.4
225.16356	4.2
226.13139	1.9
227.10527	2.2
227.14305	5.0
229.12195	1.9
231.11554	5.8
232.12540	2.4
233.09645	3.8
233.13283	7.6
233.15350	2.4
234.10320	2.7
234.13800	2.9
235.11134	7.2
235.14748	7.0
236.11926	2.0
237.12733	17.9
237.16393	3.5
238.13321	1.7
239.10632	3.8
239.14314	5.2
241.12193	2.7
243.13853	3.3
246.13882	1.9
247.11118	3.6
247.14702	4.8
248.11748	1.7
249.12753	13.3
249.16315	5.8
250.13448	2.1
251.14247	5.9
253.12187	5.1
253.15906	3.6
255.13667	4.8
258.13901	2.8
259.11160	2.4
259.14798	3.0
260.11926	2.0
261.12668	4.5
261.16464	3.4
262.13239	2.6
263.14169	5.4
263.17847	6.1
264.14474	2.6
265.15811	4.8
265.19385	4.6
267.13712	4.5
267.17249	2.6
269.15314	3.9
273.12930	1.8
273.16217	2.6
275.14020	3.8
275.17935	2.3
277.15817	6.0
279.17136	2.6
281.15305	2.5
281.18869	2.2
289.15845	3.6
289.19434	2.5
291.17389	18.3
292.17819	3.2
293.18808	3.1
295.17041	3.9
307.16901	3.1
309.18457	14.5
310.19070	3.1
311.19922	4.7
317.18930	5.9
327.19620	3.5
332.21252	2.3
335.19864	3.8
337.59882	1.7
343.20544	2.7
371.19733	2.7
385.25247	3.0
389.24896	7.7
395.23703	1.9
403.26175	8.5
405.27628	6.6
413.24814	7.4
431.25735	63.3
432.26013	7.9
449.26663	100.0
450.27026	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3052
Annotation	(3S,5R,6S)-5,6-Epoxy-5,6-dihydro-3-hydroxy-8'-apo-beta,psi-carotenal
Peak:m/z	Relative Intensity
53.03944	1.8
55.01859	1.7
55.05506	6.9
57.03435	0.7
57.07075	2.0
59.05000	1.5
61.22272	0.7
65.03946	1.7
66.08709	0.6
67.05507	14.5
69.03442	1.5
69.07069	7.2
71.04992	3.2
71.08610	0.9
71.30289	1.0
79.05490	8.2
81.03417	1.4
81.07053	17.7
83.04976	7.4
83.08646	3.8
84.08903	0.6
84.49280	0.6
85.06543	1.8
85.10196	0.7
88.51977	0.5
91.05473	12.0
92.05805	0.9
93.07040	19.2
94.07365	0.7
95.04977	3.8
95.08604	28.8
96.08951	0.8
97.06540	2.3
97.10176	1.6
101.90447	0.7
103.05476	0.6
105.07025	19.1
107.08588	17.0
109.02885	2.8
109.06526	4.4
109.10149	11.3
111.04465	2.5
111.08064	5.6
113.06033	0.8
113.09678	0.9
115.05455	1.4
117.07008	3.9
119.08575	20.5
121.06493	3.3
121.10143	10.6
123.08057	6.8
123.11670	4.4
125.05987	1.0
125.09616	2.3
127.03902	7.5
128.06210	3.4
129.07011	3.9
130.07808	0.8
131.08572	10.2
133.06514	0.9
133.10115	12.6
133.71748	0.6
135.08067	6.0
135.11699	6.5
137.05910	0.8
137.09593	2.5
137.13260	1.5
139.03914	2.7
139.07535	3.0
141.05450	0.6
141.06958	3.0
141.09082	2.9
141.52731	0.6
142.07774	5.2
143.08560	14.2
144.09340	1.3
145.10115	17.9
146.10628	0.8
147.08083	2.7
147.11679	8.2
149.06036	0.7
149.09552	3.6
149.13307	1.6
151.07553	1.9
151.11214	2.7
151.14859	0.9
153.05502	0.6
153.06975	1.6
154.07770	1.5
155.08537	10.4
156.09332	3.7
157.10124	20.7
158.10835	2.0
159.08092	2.1
159.11690	14.9
160.12228	0.8
161.09612	9.5
161.13289	5.2
163.11157	4.2
165.07021	2.0
165.12796	1.5
166.07722	1.0
167.07048	2.3
167.08562	3.2
168.09338	2.6
169.04971	3.1
169.08698	1.4
169.10117	18.4
170.10921	3.5
171.11682	16.9
172.12454	1.4
173.09666	2.5
173.13231	7.2
175.11237	3.1
175.14897	1.4
177.12793	1.9
179.08531	2.7
179.10663	1.7
179.14249	0.7
180.09244	1.0
181.10109	6.2
181.11282	0.6
182.10936	2.1
183.11684	14.5
184.12410	1.1
185.09627	2.5
185.13254	9.3
187.11191	4.6
187.14824	2.4
189.12735	3.9
189.16367	0.9
191.14276	1.3
192.09294	1.2
193.10110	3.9
194.10947	1.5
195.11685	8.4
196.12442	1.6
197.09608	1.1
197.13254	8.4
199.11182	1.8
199.14775	5.4
201.12799	4.2
201.16411	1.2
203.14351	1.6
205.10173	1.3
205.12204	1.0
206.10944	1.7
207.11713	5.3
207.13547	1.0
208.12482	1.6
209.09798	0.9
209.13266	8.3
210.13892	0.9
211.11342	1.4
211.14835	7.5
213.12738	2.6
213.16451	2.1
215.14354	2.7
215.17912	0.9
217.15935	1.5
219.11714	1.2
219.13887	0.8
220.12477	1.4
221.13245	5.4
222.14017	1.4
223.11395	0.8
223.14847	9.2
224.15482	1.9
225.12758	2.0
225.16328	5.1
226.16954	0.8
227.14355	2.6
227.17967	1.5
229.15794	3.7
233.13297	1.7
233.15454	0.9
234.13939	1.3
235.14806	5.1
236.15565	0.9
237.12924	1.2
237.16420	5.1
238.17049	0.8
239.14322	2.1
239.18034	2.9
241.15900	2.4
243.17389	4.6
245.13205	0.8
247.14665	1.3
248.15651	0.9
249.16426	2.6
251.14262	1.4
251.18004	3.0
253.15933	6.4
253.19550	1.3
254.16534	0.8
255.17474	5.0
260.15726	0.7
261.16403	1.5
263.17947	1.9
265.15903	1.6
265.19595	1.7
267.14883	0.7
267.17514	3.9
267.21008	0.8
268.75595	0.7
269.19049	5.3
271.20547	5.1
277.19522	1.2
279.17783	0.7
281.18903	3.6
289.19556	1.3
291.17929	1.1
291.21127	6.1
293.18851	1.8
293.22150	0.7
294.80893	0.7
295.20490	2.0
307.20627	2.4
308.21231	1.4
309.22089	34.2
310.22531	2.2
311.20206	1.4
311.23618	2.4
313.21664	0.9
335.23441	3.1
337.25317	1.2
347.23795	0.8
350.26111	2.1
361.27359	3.1
363.23309	1.2
365.25006	0.9
375.22946	0.7
389.24677	1.1
403.29919	3.5
407.25800	2.4
413.28433	2.1
419.26614	0.8
419.31790	2.8
431.29614	21.5
431.34409	1.0
432.29709	2.0
449.30560	100.0
450.30991	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3049
Annotation	(3S,5R,6S)-5,6-Epoxy-5,6-dihydro-3-hydroxy-8'-apo-beta,psi-carotenal
Peak:m/z	Relative Intensity
53.03943	4.1
55.01852	2.9
55.05513	14.2
57.07068	6.1
65.03934	4.0
67.05504	17.2
69.03423	4.3
69.07070	16.7
71.05002	2.0
71.30000	2.2
75.21884	1.4
79.05496	13.0
81.07056	28.7
83.04977	9.9
83.08611	9.2
85.06553	1.8
89.73270	1.4
91.05476	18.5
91.06023	2.2
93.07043	29.8
95.04963	10.0
95.08607	40.5
97.06527	6.6
97.10194	3.8
103.05460	1.5
105.07033	28.4
107.08596	29.4
109.02873	3.9
109.06487	10.2
109.10154	16.6
110.07362	1.6
111.04453	2.8
111.08096	5.5
113.06026	1.6
117.06982	8.4
119.08574	28.9
119.09428	1.4
121.06487	10.3
121.10133	18.7
123.08041	9.1
123.11704	7.3
125.09704	1.9
127.07549	1.8
128.06221	3.5
129.07018	5.1
130.07782	1.5
131.08560	17.4
133.06544	2.7
133.10133	21.9
135.08066	12.0
135.11649	6.9
137.05992	11.0
137.09619	2.8
137.13300	2.7
138.06750	8.2
139.07552	3.5
141.07042	3.3
142.07797	5.3
143.08572	14.9
144.09270	1.8
145.06491	1.5
145.10118	25.3
146.10794	1.5
147.08044	10.5
147.11668	14.3
149.09639	5.0
149.13246	3.3
151.07541	1.6
153.05516	1.5
153.07037	2.1
154.06337	1.7
154.07803	1.4
155.07164	2.2
155.08582	8.4
156.09320	4.6
157.10112	26.3
158.10849	1.6
159.08086	11.6
159.11699	22.1
160.08774	2.2
160.12489	1.4
161.09633	17.2
161.13248	7.3
163.11198	4.9
163.14922	1.6
165.06950	2.6
165.12746	1.6
166.06259	16.4
167.06892	14.5
167.08540	3.8
168.07376	4.4
168.09366	2.2
169.10118	20.4
170.10893	4.0
171.08095	4.5
171.11678	21.4
172.08763	2.5
173.09627	14.3
173.13277	14.1
175.11176	10.5
175.14865	6.8
177.09155	1.7
177.12767	2.6
179.08594	4.4
179.10674	3.6
180.09373	2.2
181.10110	10.7
182.10855	2.5
183.08118	2.7
183.11674	17.8
184.12486	2.6
185.09624	7.5
185.13254	13.3
186.10442	2.3
187.11192	8.0
187.14789	10.7
189.09090	1.9
189.12712	7.1
189.16322	3.5
191.14233	1.7
193.10205	4.6
194.10892	3.6
195.11691	10.7
196.12444	4.8
197.09642	4.7
197.13246	17.1
198.10443	1.8
198.13745	1.7
199.11142	10.3
199.14835	11.2
201.12733	11.1
201.16437	6.3
203.14331	5.9
205.10196	2.6
205.12122	1.8
205.15811	2.8
206.10985	2.3
207.11665	8.3
208.12425	3.3
209.09644	1.9
209.13200	12.5
210.10466	2.6
210.13913	1.8
211.11201	8.5
211.14729	12.1
212.11963	1.8
213.12732	12.0
213.16434	5.4
215.14307	9.8
215.17874	2.7
216.14545	1.5
217.12158	2.7
217.15930	4.6
219.11740	5.1
219.13841	2.9
219.17383	1.7
220.12502	3.4
221.13232	8.4
222.14026	3.1
223.11316	4.4
223.14737	10.7
224.15488	2.3
225.12808	10.5
225.16310	7.3
226.13454	1.7
227.14272	13.7
227.17903	2.2
229.15968	8.9
231.13861	4.1
231.17447	3.4
233.13277	4.8
233.15372	2.4
234.14027	1.9
235.14832	8.1
237.12823	4.1
237.16376	8.5
238.13472	3.0
238.17091	1.8
239.14281	8.5
239.17981	3.9
241.15872	4.3
243.17574	2.5
245.13144	1.6
245.15433	5.1
247.14920	3.3
248.15590	2.0
249.12752	2.4
249.16446	8.3
251.14436	3.7
251.17957	8.5
253.15984	10.7
253.19537	3.3
255.17493	6.2
255.21184	1.9
261.16388	5.0
263.18063	3.7
265.15894	5.6
265.19553	5.2
267.17480	5.5
269.19067	4.7
271.20621	2.5
275.17886	2.5
277.16095	2.0
277.19531	3.5
279.17474	5.5
279.21024	2.1
281.19125	5.4
281.22662	3.8
283.17435	1.6
283.20599	5.4
287.17862	1.7
289.16043	2.3
289.19382	1.8
291.17688	2.9
291.21051	6.3
293.19064	4.4
293.22647	5.6
294.23306	1.7
295.20496	4.2
295.24088	3.2
305.19144	3.0
307.20593	5.9
309.18759	2.4
309.22037	12.7
310.22638	2.5
311.23587	8.7
317.19073	1.5
317.22559	3.7
319.24240	1.9
321.22293	3.1
331.24323	2.6
333.21912	2.4
335.23657	8.8
347.19815	2.2
347.23727	2.0
349.25381	2.4
351.23117	2.3
361.21402	3.9
371.23611	1.6
375.23056	1.9
379.22583	2.3
389.24622	9.2
398.49966	1.5
403.29849	7.0
407.25397	3.2
413.28290	6.8
431.29437	51.6
431.34842	16.1
432.29483	3.7
437.66223	1.7
449.30502	100.0
450.31116	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.305
Annotation	(3S,5R,6S)-5,6-Epoxy-5,6-dihydro-3-hydroxy-8'-apo-beta,psi-carotenal
Peak:m/z	Relative Intensity
51.02376	0.7
53.03942	1.2
55.01878	0.7
55.05514	5.8
55.32954	0.6
57.03426	1.1
57.07080	1.1
59.04992	1.0
65.03942	1.5
67.05506	13.8
69.02164	1.5
69.02574	4.8
69.03414	2.0
69.07070	5.9
71.04992	2.2
71.08640	0.8
72.77177	0.6
77.03922	0.7
79.05488	8.0
81.07056	14.1
83.04984	8.7
83.08641	2.9
85.06531	1.2
91.05479	12.3
91.06011	1.1
93.07046	19.3
95.04979	3.9
95.08605	31.8
96.78585	0.6
97.06520	4.1
97.10164	1.6
99.04477	0.6
99.08092	1.2
103.05490	0.8
105.03402	4.4
105.07023	22.4
105.44325	0.5
106.03737	1.8
107.04945	1.0
107.08592	16.8
107.09277	1.2
109.06509	4.0
109.10148	10.9
111.04403	3.4
111.08080	7.5
113.06020	1.8
113.09650	0.8
115.05464	1.0
117.06998	5.3
119.08581	23.2
121.06525	3.0
121.10139	11.7
123.08064	9.7
123.11712	2.4
125.05990	0.7
125.09630	2.3
127.07567	0.7
128.06201	2.8
129.07018	4.6
130.07860	0.9
131.05014	0.6
131.08556	12.1
131.09476	0.9
133.10120	12.7
133.11053	1.0
134.10524	0.6
135.08041	7.0
135.11696	5.7
137.05952	0.6
137.09645	3.1
137.13226	1.1
139.07545	2.3
139.11206	0.7
141.06960	3.5
141.09087	2.0
142.07774	5.4
143.08551	13.7
144.09315	2.1
145.06516	1.0
145.10117	18.8
146.07288	0.9
147.08070	4.0
147.11687	9.1
149.09625	2.5
149.13263	2.1
151.07552	0.5
151.11211	1.6
153.07039	1.8
154.07758	2.0
155.08572	9.1
156.09366	5.4
157.10123	25.2
158.10825	2.3
159.08092	1.6
159.11682	21.9
159.12984	1.1
160.08870	1.3
160.12138	0.9
161.09624	8.9
161.10878	0.7
161.13231	5.5
163.11185	6.1
163.14886	0.9
165.07027	1.7
165.12775	2.0
166.07811	0.8
167.08548	3.3
168.09348	3.2
169.10123	25.3
170.10873	4.4
171.08008	1.2
171.11684	18.7
172.12305	0.9
173.09651	2.4
173.13274	7.2
174.10313	0.6
175.11209	4.0
175.14850	1.1
177.12767	2.1
178.07666	0.6
179.08546	4.1
179.10674	1.3
179.14302	0.7
180.09311	1.9
181.10124	8.7
181.11868	0.7
182.10846	3.1
183.11690	21.7
184.12416	2.5
185.09654	2.5
185.13248	19.1
186.10292	0.7
186.13925	0.6
187.11150	5.7
187.14833	2.7
189.12743	5.4
190.13152	0.8
191.14308	1.4
192.09366	1.5
193.10133	7.4
193.11848	0.9
194.10898	3.6
195.11688	12.0
195.13332	1.0
196.12415	3.7
197.09683	1.1
197.13254	14.4
198.14049	1.3
199.11148	2.7
199.14833	5.6
201.12788	5.2
201.16393	1.5
203.14165	2.7
205.10129	1.7
205.12106	0.6
206.10925	2.1
207.11702	8.1
207.13672	1.1
208.12469	8.2
209.09909	0.6
209.13237	12.5
210.13943	2.8
211.11258	1.5
211.14792	9.2
212.11909	0.9
212.15329	1.4
213.12703	3.8
213.16277	3.2
215.14276	3.7
217.15909	1.1
219.11720	2.3
219.13765	0.6
220.12524	2.5
221.13222	10.9
222.14024	3.4
223.14807	34.9
224.15353	2.7
225.12830	2.3
225.16350	9.5
226.13356	0.8
226.16936	0.7
227.14297	3.2
227.17952	1.2
229.15808	3.9
233.13255	2.0
233.15355	0.8
234.14034	1.8
235.14833	8.2
236.15504	1.3
237.12781	1.2
237.16412	7.0
238.17009	0.8
239.14348	3.2
239.17915	7.6
240.18378	0.8
241.15857	4.2
243.17467	5.5
245.13338	0.7
246.14003	0.6
247.14819	3.2
248.15727	0.9
249.16386	7.7
250.17140	1.5
251.14401	1.8
251.17891	5.5
252.18559	0.7
253.15874	8.0
253.19576	2.3
255.17444	16.2
256.17822	0.8
257.19009	1.5
261.16428	2.4
262.17319	0.8
263.17886	3.6
264.18668	2.1
265.15918	1.8
265.19510	2.3
266.20056	1.0
267.17490	6.8
267.20914	1.4
269.18973	7.6
270.19608	0.9
271.20578	5.4
272.20886	0.7
273.16260	0.7
275.14746	0.6
275.17877	3.1
277.19553	1.6
279.17487	1.9
279.21024	1.1
281.18964	6.0
281.22067	1.0
287.17892	1.0
289.19559	2.0
290.20081	0.8
291.21054	6.7
292.21643	1.0
293.19031	3.3
293.22577	1.3
294.19794	0.8
295.20627	2.9
299.20090	1.1
303.20871	0.9
305.19128	1.4
307.20554	4.7
308.21384	2.5
309.22095	41.7
310.22363	4.2
311.23618	1.6
317.19302	1.0
317.22421	2.9
319.20541	1.5
319.24075	0.7
321.18637	0.6
321.22137	2.3
323.23538	0.8
332.24976	0.9
333.22162	1.9
335.23730	6.3
336.24298	0.7
337.25040	0.8
345.22073	7.1
347.23746	1.4
349.25266	1.3
350.25916	3.1
363.23203	10.6
364.23599	0.7
365.25024	0.7
373.25336	0.8
375.26984	1.3
379.26276	1.9
389.24612	0.9
403.30106	4.3
407.25125	1.1
407.29837	1.0
413.28552	3.9
431.29480	30.0
432.29697	3.7
449.30511	100.0
450.30914	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3051
Annotation	(3S,5R,6S)-5,6-Epoxy-5,6-dihydro-3-hydroxy-8'-apo-beta,psi-carotenal
Peak:m/z	Relative Intensity
53.03964	1.9
55.05505	8.0
57.07080	1.5
65.03933	1.6
67.05499	11.8
69.07066	6.1
75.23534	1.2
79.05476	7.5
81.07060	12.7
83.04962	6.9
83.08625	3.5
85.06556	1.3
91.05478	10.1
93.07047	19.9
95.04965	3.3
95.08609	30.8
97.06535	2.2
97.10166	2.1
98.22977	10.0
105.07040	21.0
107.08600	16.4
109.06543	2.9
109.10152	10.1
111.04481	2.4
111.08077	7.4
115.05446	1.6
117.07029	5.4
119.08585	22.6
121.06512	1.9
121.10143	9.5
123.08039	6.4
123.11725	3.5
125.09677	2.9
128.06233	2.9
129.07021	5.6
130.07823	1.6
131.08571	10.3
133.10120	10.5
135.08061	3.9
135.11697	4.8
137.06004	1.7
137.09682	3.2
139.07529	2.5
141.07011	3.6
141.09177	1.5
142.07776	4.8
143.08557	14.0
144.09399	2.1
145.10118	16.7
147.08115	1.7
147.11636	6.3
149.09659	4.3
149.13214	1.7
154.07747	1.5
155.08524	9.2
156.09329	4.2
157.10126	18.7
158.10725	2.2
159.08096	1.5
159.11679	14.0
161.09596	7.2
161.13295	4.0
163.11197	2.6
166.06310	2.0
167.07062	2.2
167.08562	3.1
168.09337	4.1
169.10129	16.5
170.10980	1.9
171.11710	16.2
172.12416	1.8
173.09747	2.2
173.13313	6.4
175.11209	3.2
179.08667	1.5
179.10669	2.1
181.10132	5.4
183.11694	12.5
185.13243	9.3
187.11218	3.9
189.12817	4.4
192.09337	1.8
193.10207	4.2
195.11714	7.8
196.12463	2.2
197.13277	8.4
198.13966	1.6
199.11169	2.4
199.14861	5.1
201.12753	3.5
201.16496	1.6
207.11786	4.2
208.12349	2.4
209.09520	1.3
209.13284	5.7
211.11143	1.9
211.14795	7.3
212.15712	1.7
213.12723	3.1
213.16402	2.3
215.14362	1.7
221.13300	6.5
223.14847	7.9
225.16434	6.3
227.14412	2.6
228.91165	1.9
229.15924	4.4
233.13306	1.8
234.05843	1.3
235.14819	6.0
237.16425	4.2
239.17937	2.6
241.15919	2.7
243.17517	5.3
247.15053	1.7
248.83449	1.3
249.16420	3.6
251.18001	3.0
253.15926	5.1
255.17427	6.1
261.16318	1.3
263.18094	2.2
265.16196	2.0
265.19434	2.1
265.61722	1.3
267.17526	4.4
269.19003	6.6
271.20667	5.4
277.15848	1.3
281.19131	4.6
289.19516	2.3
291.17734	2.7
291.21085	6.4
295.20627	1.9
307.20596	2.1
309.22092	30.4
310.22672	2.9
311.20178	1.9
311.23691	1.5
321.22256	1.8
333.22052	2.6
335.23737	3.9
350.26196	2.9
363.23126	2.4
403.30176	3.5
407.25824	2.6
413.28259	1.9
421.23309	1.7
431.29755	19.7
431.34875	2.1
432.29926	1.9
449.30588	100.0
450.30869	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3049
Annotation	(3S,5R,6S)-5,6-Epoxy-5,6-dihydro-3-hydroxy-8'-apo-beta,psi-carotenal
Peak:m/z	Relative Intensity
51.83412	1.1
53.03945	2.8
55.05510	10.4
57.03432	2.0
57.07072	3.8
65.03947	1.9
66.48882	1.1
67.05507	21.3
67.05826	0.7
69.03429	1.8
69.07065	8.5
71.05009	1.8
71.31374	1.7
79.05486	15.8
81.07054	29.1
83.04984	8.9
83.08619	1.9
85.06525	1.3
91.05473	20.3
93.07044	35.8
95.04956	9.3
95.08605	56.0
96.08941	1.1
97.06531	14.1
97.10192	2.3
99.04485	1.4
103.05460	3.5
105.03391	4.9
105.04520	1.8
105.07028	29.4
107.04970	1.8
107.08587	28.5
107.09274	2.2
109.06531	6.4
109.10154	18.4
111.04463	4.0
111.08080	10.2
113.06055	2.1
115.05418	2.3
116.06276	1.4
117.07006	9.9
119.08575	33.2
120.08912	1.3
121.06483	8.5
121.10136	20.6
123.08057	12.9
123.11660	6.3
125.09638	4.1
128.06239	5.0
129.07013	9.4
130.07797	4.8
131.08563	30.4
133.06487	3.4
133.10123	26.3
135.08035	9.9
135.11693	9.3
137.05978	2.5
137.09622	2.6
137.13223	1.8
139.07538	3.9
141.06953	5.6
142.07768	6.9
143.08566	28.7
144.09328	5.0
145.06485	5.1
145.10118	47.5
146.07256	1.2
147.08066	11.2
147.11685	19.2
149.09625	6.5
149.13290	4.8
151.07542	1.4
151.11148	1.5
153.07019	2.0
154.07820	2.6
155.08551	15.0
156.09380	5.8
157.06572	1.4
157.10136	23.6
158.07330	2.4
158.10883	4.4
159.08047	36.5
159.11684	26.1
160.08794	1.9
161.09625	21.5
161.13266	8.1
163.11188	5.1
163.14868	2.0
165.07007	1.4
167.08502	5.1
168.09375	4.5
169.10139	17.6
170.10846	3.8
171.08075	9.5
171.11682	25.8
172.08864	4.8
172.12297	1.8
173.09621	50.8
173.13243	18.0
174.10048	1.6
174.13556	1.3
175.11169	12.4
175.14793	5.7
176.48338	1.4
177.12804	2.5
179.08615	3.7
180.09404	1.2
181.10141	6.9
182.10892	4.0
183.08066	2.0
183.11664	15.2
184.12238	1.3
185.09622	20.3
185.13216	13.2
186.10364	4.8
187.11188	30.9
187.14798	20.4
188.11632	1.9
188.15292	1.4
189.12761	10.4
189.16396	4.3
191.10760	1.4
191.14359	8.8
193.10172	4.5
194.10834	1.8
195.11674	9.7
196.12398	1.6
197.09654	4.3
197.13237	15.9
198.10413	3.3
198.13902	1.7
199.11182	11.6
199.14862	9.9
200.11951	2.6
201.12738	45.1
201.16405	4.9
202.13200	2.6
203.14314	12.5
205.10214	3.3
205.12238	2.0
207.11734	6.3
207.13490	1.2
208.12445	1.4
209.13258	10.9
211.11298	5.2
211.14824	10.6
212.11818	1.2
212.15421	1.2
213.12756	17.7
213.16328	17.8
213.18224	1.7
214.13141	1.5
215.14302	100.0
216.14677	6.1
217.15810	6.6
218.10950	2.0
219.11691	4.2
219.13840	7.7
220.12375	2.5
221.13283	7.4
221.15286	2.3
223.11308	2.7
223.14789	5.2
224.11859	1.2
225.12752	4.0
225.16345	7.3
227.14287	19.2
227.17932	2.6
229.15880	40.6
230.16237	3.0
231.11732	1.7
231.13832	2.6
231.17493	3.1
232.12340	1.9
233.13255	5.0
233.15440	3.1
234.13992	2.4
235.14886	5.8
237.12698	2.6
237.14597	2.5
237.16537	3.6
239.14355	4.4
239.18037	2.4
241.15892	4.9
243.17462	4.2
245.13126	1.7
245.15448	1.4
246.13933	1.2
247.14801	4.4
249.12724	1.8
249.16382	7.7
251.14279	3.2
251.17999	3.7
253.15875	6.6
255.17534	2.0
257.19003	2.2
260.15671	1.5
261.12912	1.2
261.16437	4.1
263.14352	1.6
263.17969	3.2
265.15894	4.2
265.19571	2.2
267.17426	17.4
269.18985	2.7
275.17902	3.0
277.16190	1.4
277.19556	2.9
279.17429	2.8
279.21231	1.3
281.15714	1.6
281.19012	3.6
289.19601	4.3
291.17850	2.0
291.21082	11.0
293.18991	7.6
293.22470	2.5
295.20596	2.2
301.19339	1.5
303.21164	1.6
305.18988	2.7
307.20642	8.6
309.18689	1.4
309.22076	29.9
310.22580	2.7
311.23639	2.1
315.21036	1.7
317.22842	2.7
319.20612	2.6
321.22241	2.7
325.21594	1.8
331.24249	1.8
332.25070	2.5
333.22220	2.3
335.19910	2.0
335.23645	14.2
337.21442	1.1
343.20349	1.7
343.24161	2.0
347.19785	1.3
347.23743	2.2
349.25403	2.1
350.26010	1.6
357.21988	2.2
357.26123	1.4
361.25305	3.0
371.23709	1.6
373.25107	1.3
375.22864	1.4
375.26984	5.6
385.28983	2.3
389.24677	10.7
390.25119	1.7
395.27060	1.6
403.25903	1.4
403.30103	10.8
405.27600	1.4
407.25739	3.2
413.28336	11.9
421.30823	3.1
431.29462	58.5
432.29861	5.8
449.31018	54.7
450.31818	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3049
Annotation	(3S,5R,6S)-5,6-Epoxy-5,6-dihydro-3-hydroxy-8'-apo-beta,psi-carotenal
Peak:m/z	Relative Intensity
53.03941	4.6
54.66967	1.3
55.01870	2.7
55.05511	41.6
55.15070	1.2
57.07068	2.4
65.03931	3.0
65.17112	1.4
67.05505	29.0
69.03432	4.3
69.07074	12.2
69.08080	1.4
69.08389	12.8
71.04996	2.2
71.08604	1.3
77.03921	1.7
79.05493	18.5
81.07057	33.3
83.04982	60.2
83.08611	5.1
84.05302	2.1
85.06539	1.8
91.05473	30.7
93.07047	41.2
95.04957	9.9
95.08605	58.8
96.08923	1.7
97.06506	9.6
99.04434	3.1
103.05488	2.3
105.07030	49.8
107.07863	2.2
107.08588	41.3
109.06535	9.8
109.09437	2.1
109.10150	27.2
110.10480	1.7
111.04433	10.1
111.08073	11.7
113.06015	1.9
115.05467	2.4
117.07015	12.3
119.08578	52.4
120.08916	2.2
121.06497	11.9
121.10142	23.5
122.10504	1.2
123.08073	13.4
123.11691	6.8
125.09612	3.9
128.06203	5.2
129.07002	11.0
130.07822	2.1
131.08560	33.3
131.09491	2.5
133.06483	4.7
133.10123	36.8
133.11058	2.6
135.08055	14.7
135.11674	11.0
137.05951	4.7
137.09605	7.6
139.07520	5.0
141.06973	5.1
141.08994	1.7
142.07761	9.5
143.08548	27.3
145.06453	4.4
145.10124	37.9
146.07248	1.3
147.08051	16.6
147.11678	20.9
149.09608	11.3
149.13217	5.2
151.11185	3.0
153.07007	2.3
154.07733	3.2
155.08539	16.2
156.09311	6.2
157.10123	39.6
158.10667	3.9
159.08041	15.0
159.11691	32.4
160.08763	2.9
161.09615	25.5
161.13254	11.7
162.09865	1.5
163.11136	6.7
165.06985	4.0
167.08542	7.5
168.09323	3.7
169.10117	20.1
170.10872	5.9
171.08041	5.7
171.11693	30.3
172.08809	2.9
172.12364	1.7
173.09604	19.4
173.13251	20.2
174.10266	1.5
175.11203	17.6
175.14851	4.8
176.11354	1.6
177.12743	4.1
178.07681	1.9
179.08542	6.3
180.09283	3.2
181.10153	12.1
182.10901	6.5
183.08124	1.8
183.11678	20.6
184.08832	1.9
184.12292	1.7
185.09641	13.0
185.13246	22.8
186.10341	1.8
187.11191	17.2
187.14825	10.3
188.11697	1.3
189.12729	12.5
189.16434	2.4
191.08580	2.7
191.10638	2.6
191.14299	4.7
192.09326	2.2
193.10184	6.9
193.12170	1.8
194.10866	3.2
195.11685	13.3
196.12387	3.7
197.09587	4.8
197.13249	19.1
198.10356	2.4
198.13904	1.8
199.11162	10.5
199.14809	14.9
200.15334	1.6
201.12735	24.6
201.16377	4.9
203.14316	11.4
205.10159	3.6
205.12213	3.7
205.16002	1.8
206.10886	3.8
207.08089	1.3
207.11716	10.0
207.13699	2.5
208.12354	4.3
209.09673	4.0
209.13271	16.1
210.10339	1.9
210.13875	2.6
211.11172	5.9
211.14801	14.3
212.11871	2.0
212.15317	1.9
213.12776	17.2
213.16315	13.1
214.13049	1.5
215.14293	29.0
215.17941	4.3
216.14758	1.4
217.10114	2.4
217.12160	2.2
217.15837	7.7
219.11684	5.2
219.13803	2.8
220.12363	3.2
221.13248	13.3
221.15222	2.5
222.13760	2.2
223.11232	4.2
223.14795	12.9
224.11893	1.5
225.12772	10.1
225.16324	7.5
227.14325	14.0
227.17842	3.0
229.12413	1.8
229.15872	16.3
231.11732	1.8
231.13795	3.2
231.17487	6.1
232.12367	1.9
233.13289	6.3
233.15208	2.3
234.14017	3.1
235.11174	2.4
235.14870	11.8
236.11847	1.7
237.12741	5.4
237.16391	7.7
238.13516	1.6
239.14339	9.5
239.17888	7.3
241.15968	9.9
243.17363	7.0
245.13194	3.0
245.15439	4.1
247.14777	5.4
248.15556	2.0
249.12680	1.7
249.16479	8.5
250.16859	1.4
251.14311	3.9
251.17978	7.0
252.15045	1.5
253.15895	10.6
253.19666	1.8
255.17514	7.8
257.15552	1.6
257.19022	4.1
259.14539	1.8
260.15295	1.8
261.16345	4.4
263.14270	2.3
263.17941	7.8
265.15970	3.1
265.19464	3.0
267.17395	9.5
267.20938	2.7
269.15677	1.5
269.19019	4.8
273.16171	2.2
275.14453	2.2
275.17908	4.4
276.18646	1.7
277.15869	4.3
277.19464	2.8
279.17438	5.1
279.21051	1.7
281.15396	2.4
281.18967	6.8
281.22537	4.6
283.20547	2.5
289.19376	3.1
291.17493	4.4
291.21039	14.7
293.19003	5.7
293.22614	5.6
295.17325	2.3
295.20477	10.7
297.18524	1.6
301.19360	1.5
303.17303	1.9
303.20990	1.9
305.19000	2.7
307.17160	1.8
307.20572	7.1
308.21213	1.9
309.18823	2.5
309.22092	65.7
310.22571	7.1
311.20499	1.8
311.23688	11.1
315.20996	1.7
317.22614	4.1
319.20578	2.4
321.18533	2.0
321.22052	2.9
325.21844	2.2
331.24017	1.8
332.24905	2.9
333.22018	2.9
335.09088	2.8
335.23615	19.1
337.25537	2.9
339.26813	1.7
347.23630	2.5
349.25256	2.3
350.26031	2.3
351.22690	1.8
353.24716	5.4
357.22009	1.9
365.10165	2.6
367.11566	3.3
371.23547	2.6
373.25153	4.9
375.22775	2.7
375.26849	5.0
385.29059	1.9
389.24399	4.6
403.25266	2.1
403.30322	14.4
404.30133	1.6
405.27786	2.8
407.25586	3.2
413.28543	18.6
421.31378	3.1
431.29755	72.9
432.30200	6.6
449.16400	3.0
449.30936	100.0
450.31290	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3051
Annotation	(3S,5R,6S)-5,6-Epoxy-5,6-dihydro-3-hydroxy-8'-apo-beta,psi-carotenal
Peak:m/z	Relative Intensity
53.03946	0.8
53.07956	0.3
55.01878	1.1
55.05510	7.3
57.03437	0.7
57.07077	1.3
63.75026	0.3
64.32758	0.3
64.80621	0.3
65.03643	0.3
65.03958	0.9
67.05503	13.2
67.83638	0.3
69.03414	1.5
69.07067	5.5
69.07419	0.5
69.26634	2.5
71.04999	0.8
71.08659	0.3
71.11912	0.3
74.97454	0.3
77.03920	0.5
79.05495	8.1
81.06574	0.5
81.07055	11.8
83.04980	14.8
83.08604	2.4
85.06542	0.8
91.05476	9.4
93.07043	21.1
95.04971	4.2
95.08606	26.8
96.08941	0.4
97.02935	0.4
97.06532	3.0
97.10192	0.7
99.04462	0.8
99.08067	0.4
103.05488	0.8
105.04523	0.7
105.07027	16.4
107.04968	0.7
107.08589	14.8
109.06522	3.6
109.10155	7.5
111.04440	7.1
111.08074	8.1
111.11704	0.3
112.08342	0.3
113.06022	1.3
113.09683	0.4
113.16198	0.3
115.05476	1.2
116.06271	0.4
116.90303	0.3
117.07021	4.6
119.04930	0.5
119.08577	19.8
120.08942	0.5
121.06500	4.3
121.10139	10.2
123.08071	7.1
123.08916	0.4
123.11708	2.9
125.06004	0.9
125.09621	2.1
127.07547	0.5
128.06216	2.5
129.07011	5.1
130.07773	1.1
131.08566	9.5
133.06512	1.5
133.10126	13.9
134.10512	0.4
135.08054	2.9
135.11690	4.5
136.12010	0.3
137.05972	0.4
137.09625	2.2
137.13284	0.9
139.07538	4.0
139.11162	1.5
141.06940	2.7
141.09071	1.6
142.07785	4.3
143.07545	0.2
143.08556	12.4
144.09280	1.4
145.06496	1.2
145.10114	13.8
146.07219	0.6
146.10518	0.3
147.08044	5.5
147.11673	9.4
149.09616	3.5
149.13245	2.3
150.60278	0.3
151.11134	1.8
153.05589	0.4
153.07018	0.8
153.09114	0.3
153.12813	0.4
154.07796	1.2
155.06047	0.3
155.08551	7.6
156.05251	0.3
156.09349	4.4
157.06509	0.7
157.10127	18.2
158.10832	1.1
159.08046	3.0
159.11688	12.3
159.12981	0.6
160.08809	1.5
160.12289	0.4
161.09622	7.1
161.13251	4.8
163.11201	3.7
165.06979	1.8
165.12769	1.2
166.07779	1.3
167.08556	3.1
168.09322	2.3
169.10117	13.7
170.10895	3.3
171.08086	1.3
171.10184	0.7
171.11682	15.3
172.08780	1.1
172.12292	1.3
173.09625	4.6
173.13263	7.7
173.14783	0.3
174.10378	0.9
175.11191	6.1
175.12653	0.4
175.14799	1.9
177.12769	1.5
178.07829	0.9
179.08563	3.4
179.10201	0.4
179.10703	0.4
179.14433	0.3
180.09312	1.5
181.10101	7.1
182.10919	2.8
183.08151	0.7
183.11687	13.4
184.12344	2.1
185.09660	2.9
185.13243	11.6
186.10411	0.8
186.14018	0.7
187.11180	4.9
187.12822	0.4
187.13155	0.4
187.14798	4.4
188.15230	0.4
189.12733	6.7
189.16432	0.5
191.08656	0.6
191.10631	0.6
191.14346	0.8
192.09369	1.7
193.10146	4.8
193.12033	0.7
194.10899	2.7
195.08049	0.9
195.11684	10.1
196.08784	0.7
196.12428	2.5
197.09612	2.5
197.13251	11.5
198.10423	0.7
198.13898	1.5
199.11192	5.3
199.14807	7.1
200.11925	1.0
200.15483	0.6
201.12721	4.1
201.16402	2.0
203.08629	0.4
203.14310	3.1
204.09225	0.5
205.10164	2.0
205.12270	1.2
205.15918	0.8
206.10890	2.2
207.11723	6.4
207.13837	2.1
208.12456	2.6
209.09726	1.0
209.13239	8.5
210.10365	0.6
210.13876	1.6
211.11200	4.4
211.14784	8.2
212.11916	1.4
212.15453	1.7
213.12761	8.2
213.16330	6.2
214.13263	0.6
214.16989	0.5
215.14304	5.0
215.17970	1.0
216.14568	0.4
217.10167	0.6
217.15886	2.7
218.10941	1.1
219.11713	3.5
219.13712	0.6
219.17422	0.3
220.12392	2.3
221.13263	7.6
221.15324	0.6
222.13947	2.2
223.11357	1.8
223.14761	7.3
224.11894	0.8
224.15532	1.2
225.12840	3.6
225.16350	4.6
226.13354	0.5
226.17020	0.9
227.14302	3.3
227.17906	2.4
229.15929	2.2
231.11731	1.3
231.13846	0.5
231.17479	0.9
232.12505	1.3
233.13261	3.8
233.15416	1.8
234.13979	1.5
235.11191	0.7
235.14825	6.9
236.11832	0.4
236.15517	1.2
237.12845	1.7
237.16357	10.2
238.17073	1.1
239.14296	4.1
239.17906	3.3
240.15041	0.4
241.15903	3.2
241.19513	1.0
243.17439	4.9
245.13248	1.1
245.15504	0.6
246.13753	0.6
247.14832	3.7
247.17088	0.5
248.15619	1.3
249.12708	0.9
249.16348	6.1
250.17075	1.1
251.14220	2.2
251.17957	3.9
252.15079	0.6
252.18539	0.8
253.15831	5.2
253.19508	1.4
254.16496	0.6
255.17421	14.6
256.17932	1.7
257.15744	0.4
257.16190	0.6
257.18985	4.8
258.13959	0.5
259.14819	1.1
260.15640	0.6
261.16437	2.7
262.17212	0.7
263.14682	0.6
263.17920	4.8
264.15057	0.5
264.18546	0.7
265.16074	2.8
265.19452	3.7
266.16440	0.5
266.20273	0.5
267.17474	2.9
267.21072	0.6
268.18021	0.5
269.18985	4.1
270.19540	0.4
271.14719	0.6
271.20593	1.1
273.16428	1.0
274.16879	0.7
275.17953	2.4
276.18527	0.8
277.15833	1.3
277.19510	3.0
278.16611	0.4
278.20096	0.7
279.17441	2.7
279.21048	1.1
281.19016	4.3
281.22388	0.8
283.20496	4.3
287.17670	0.6
289.19418	3.1
290.20041	0.8
291.17438	1.0
291.21109	5.2
292.18137	0.7
292.21625	0.9
293.18994	2.3
293.22617	2.4
294.19754	0.8
294.23135	0.6
295.17346	0.6
295.20630	2.9
295.23764	0.6
296.21170	0.4
297.18585	0.8
298.17267	0.3
301.19357	0.4
302.20273	0.3
303.17719	0.5
303.21152	0.9
305.19092	0.7
305.22699	1.4
307.20596	5.8
307.24066	0.7
308.21179	1.4
309.18719	0.6
309.22092	13.2
309.25235	0.5
310.22653	1.3
311.20032	1.5
311.23798	1.6
317.19110	0.7
317.22705	2.9
319.20605	1.1
319.24295	1.7
320.24960	0.4
321.22119	2.4
321.25632	0.7
323.20215	0.5
323.23788	1.2
331.20615	0.6
331.24271	1.0
332.24966	3.0
333.22104	1.1
333.25723	0.9
335.20187	0.5
335.23679	11.8
336.23996	1.5
337.21606	0.4
337.25217	5.5
338.25784	0.6
339.23181	0.4
339.26825	0.8
347.19992	0.5
347.23755	0.8
349.21500	0.6
349.25244	2.0
350.25992	7.5
351.23087	1.1
351.26688	0.8
353.24649	1.0
357.22052	1.1
361.25323	0.6
363.23077	0.6
371.23642	0.4
373.25449	0.5
375.23151	2.2
375.27020	0.9
385.29056	0.9
389.24557	1.9
393.24319	0.8
403.30222	4.2
404.29993	0.4
405.27863	2.0
406.24933	0.4
407.25314	1.5
413.28369	7.1
414.28738	1.1
421.31354	1.5
431.29449	53.5
432.29803	5.2
449.30484	100.0
450.30862	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	8.9
57.07074	2.3
67.05507	7.7
69.03419	2.4
69.07077	12.2
79.05482	4.4
81.07054	10.4
83.01339	2.9
83.08635	8.0
86.11839	1.3
87.94070	1.2
91.05495	3.8
93.07062	6.2
95.04967	2.0
95.08585	8.7
97.06544	3.9
97.10170	3.5
105.07040	3.3
107.08586	5.5
109.10152	3.9
111.04420	1.9
119.08556	3.0
121.06493	1.3
121.09282	1.4
121.10143	4.2
123.08028	1.6
123.11675	1.8
125.02341	2.8
133.10135	2.8
138.19797	1.5
139.03911	2.4
141.05438	4.4
145.10167	2.5
147.08015	1.5
151.03909	3.7
153.05446	3.6
153.09026	1.5
157.10136	2.1
162.21120	1.5
181.08643	1.9
195.10179	2.4
195.11882	1.4
209.11739	1.7
209.33092	1.3
223.13235	2.6
237.14830	1.5
251.16437	2.7
264.37509	1.4
274.04813	1.2
403.32092	100.0
404.32361	9.2
431.31281	2.2
449.30618	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64996	4.1
52.25776	4.9
55.05505	19.9
57.07082	30.7
67.05505	19.8
69.07069	27.3
69.63633	25.9
71.08630	21.4
74.52401	4.1
79.05479	11.4
81.07047	29.1
83.04985	7.3
83.08636	18.5
85.10180	10.8
91.05490	12.6
93.07047	12.6
95.04950	11.4
95.08613	37.7
97.06538	6.3
97.10178	10.4
98.22556	6.1
99.04446	12.9
105.07039	14.6
107.08598	12.5
109.06525	10.0
109.10157	12.7
111.04440	100.0
111.11713	5.9
115.57240	5.0
115.72542	4.5
119.08591	11.8
121.06516	11.2
121.10148	6.5
123.04434	22.5
123.08088	8.3
123.11684	5.7
125.05995	14.6
131.08624	6.5
133.10075	5.8
135.04425	7.2
135.08066	7.2
135.11688	5.9
137.06017	27.0
139.07538	9.0
143.08565	8.5
145.10156	7.5
147.11653	5.2
151.07608	7.0
153.05432	22.2
155.07109	6.8
157.10126	10.3
159.08119	7.6
159.11653	7.5
161.09625	8.6
163.07576	8.2
165.05499	68.1
173.13275	5.5
183.06522	61.8
183.07980	5.9
185.13377	5.2
189.12801	8.0
195.11714	5.7
195.99255	4.8
199.11223	4.9
345.92990	5.2
385.34494	16.0
403.35626	38.4
413.34363	7.7
431.30026	5.0
431.35159	26.6
449.30322	17.9
449.36276	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.0
56.96560	1.4
57.03426	2.9
59.04995	0.9
61.02921	1.7
63.87889	0.8
69.03424	12.3
71.29070	1.0
71.29444	1.0
73.02904	1.1
73.33168	0.7
81.03397	1.4
85.02899	19.2
87.04459	8.3
91.03935	1.0
91.05453	1.2
95.04952	3.1
97.02879	14.4
98.09678	1.9
98.97545	1.0
109.02881	2.1
115.03933	11.4
117.03391	1.9
119.04867	0.9
121.02901	1.8
123.04434	1.8
127.03912	100.0
133.04967	10.8
135.04378	2.3
136.07550	1.8
139.03911	7.8
145.02818	2.3
145.04950	2.9
147.04401	1.4
150.07602	2.5
151.07539	7.5
163.03903	2.4
177.05431	5.0
203.03386	1.0
249.07436	1.4
257.04620	0.9
313.12866	2.4
354.13278	0.9
424.01517	0.9
433.09726	0.9
439.49185	0.9
440.26367	0.9
450.15094	1.0
451.11740	3.6
451.17566	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.8
57.03437	11.0
59.05019	1.1
61.02914	1.5
65.03940	0.7
69.03437	2.1
69.16935	1.2
69.17347	4.6
71.04996	75.7
73.02917	2.5
75.04483	3.9
81.03421	1.6
83.04985	7.4
85.02909	100.0
86.03248	0.9
87.04490	1.6
91.03963	0.8
91.05486	1.3
93.03410	1.4
97.02894	4.3
99.04472	2.1
101.06003	0.9
103.03973	1.3
106.13651	0.8
107.04969	0.9
111.04437	4.2
123.04452	2.0
125.06001	5.8
127.03944	4.7
129.05487	41.8
135.04439	1.5
137.05952	1.6
144.06508	1.0
144.91364	0.7
145.04922	3.8
145.10220	0.9
146.08130	1.1
147.06526	20.0
162.07761	0.7
163.03944	0.9
163.06033	0.8
164.09221	3.5
167.07024	1.2
179.03481	0.8
180.08624	1.0
182.95563	0.7
184.07492	0.9
185.81943	0.8
195.02834	1.1
255.08676	1.3
287.05502	1.5
288.05933	3.0
450.13727	5.5
451.14133	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01874	5.6
56.55446	0.7
56.96569	0.8
57.03439	11.2
58.79222	0.7
59.04995	1.5
61.02933	5.4
66.42974	0.6
69.00036	6.6
69.03430	15.1
71.01364	2.7
71.04976	1.3
73.02920	13.7
81.03416	3.5
85.02908	48.7
87.04464	2.9
91.03957	2.4
91.05473	3.2
91.67321	0.7
93.07037	3.4
95.04943	0.9
97.02895	20.0
99.04456	2.7
103.03941	2.4
103.05437	1.7
107.04942	1.4
107.16974	0.7
109.02887	2.9
113.40244	0.7
114.05529	1.2
115.03931	8.2
117.07030	1.7
121.06508	45.4
122.06853	1.1
123.04424	10.1
127.03905	10.2
129.06993	1.8
131.08583	1.3
132.06583	1.8
133.04971	14.1
133.06491	1.0
135.04398	2.2
137.02336	2.5
137.06038	0.8
138.02660	1.6
139.03896	2.5
141.06937	1.0
145.04961	18.2
145.06474	5.0
147.04416	2.5
149.02345	1.1
150.07620	2.7
151.03868	1.0
151.07567	1.4
157.06490	2.2
159.08055	3.1
161.06032	1.3
163.03918	4.6
163.06024	7.0
163.07428	1.5
171.04440	0.9
175.03908	0.8
175.07538	5.3
179.07018	2.0
183.08052	0.8
185.05957	1.5
187.07532	14.8
189.05470	1.7
189.09094	0.9
199.07570	1.3
201.05551	0.8
201.09059	0.9
203.03412	4.1
205.08591	9.6
206.08922	0.8
211.07521	1.0
213.05403	1.2
214.05846	1.3
217.04794	0.8
217.08627	6.6
223.06035	0.9
229.08617	4.4
235.09676	4.0
241.06889	1.3
243.06432	0.9
245.04312	1.1
247.09633	5.0
252.97884	1.3
257.04654	0.9
259.08148	1.8
265.10706	3.7
287.05493	43.3
288.05835	100.0
289.06018	6.4
299.05441	2.2
433.08966	1.0
450.10660	1.3
451.10370	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
57.03426	3.7
69.03419	1.5
70.56522	1.1
70.56855	1.3
75.04475	1.8
81.07061	1.6
83.04997	1.3
85.02897	7.3
86.09704	1.7
87.01285	0.8
87.80700	0.7
91.05479	4.5
93.07063	1.2
94.04123	0.8
94.48367	0.7
95.04978	0.8
95.08620	1.0
97.02890	2.1
105.07027	2.0
107.08601	1.3
108.27654	1.0
109.06537	1.3
109.10134	1.1
111.04465	1.3
117.07036	0.9
119.08585	2.1
121.06524	1.0
123.04446	2.6
123.11765	0.9
127.03882	0.8
129.07069	0.7
131.08502	0.9
133.06409	1.0
133.10146	1.4
135.04424	1.6
137.05975	100.0
138.06335	3.0
139.03905	1.1
145.04958	1.8
149.05981	2.9
155.85666	0.8
159.11757	1.2
161.05994	1.2
163.03923	1.6
163.07513	1.0
165.01859	0.8
175.04108	1.0
175.07547	5.5
175.11238	1.0
175.14809	1.2
177.12633	0.8
179.07033	30.0
180.07428	1.1
181.05058	1.0
184.07368	1.5
189.09085	2.4
189.16501	1.2
191.07063	3.8
193.08495	0.8
195.06575	1.0
197.08063	4.4
200.04222	0.7
213.08911	2.0
215.07005	2.8
217.08635	3.2
217.15860	2.5
235.09685	3.5
235.16933	4.4
253.10780	6.1
253.18034	2.1
259.09784	2.8
271.11734	17.7
272.12335	1.0
287.05356	1.2
288.05936	1.5
343.06268	0.8
349.08661	0.9
451.15488	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01873	2.4
57.03425	5.1
57.64248	0.9
61.02932	9.4
65.03943	1.9
65.36202	0.9
66.81899	0.9
69.03432	15.3
70.38435	3.0
71.01366	1.0
71.04988	1.5
71.07598	0.9
73.02919	4.4
81.03428	6.1
85.02908	100.0
86.03237	1.6
87.04436	1.6
91.03951	5.4
91.05486	92.5
92.05820	2.0
94.81973	1.0
97.02898	38.0
99.04476	3.9
103.03892	1.1
109.02895	6.6
115.03934	3.8
117.07031	1.1
127.03925	21.1
137.05998	2.3
145.04962	41.7
161.04448	2.1
163.06013	21.2
171.08073	2.1
217.08624	2.8
235.09708	1.6
253.10739	2.0
325.11322	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
66.97549	3.2
69.03416	4.2
69.07066	3.3
79.05495	4.0
81.07053	10.2
91.05457	2.5
93.07026	3.5
95.08570	2.4
98.22610	8.0
105.07035	2.6
109.06499	3.7
119.08558	2.9
126.91063	2.3
131.08588	4.1
137.05974	15.8
141.06969	3.0
143.08548	2.2
145.10150	2.7
155.08542	4.0
157.10014	2.4
172.20860	2.2
173.09657	7.7
174.10532	2.6
215.49307	3.2
243.06508	4.4
255.10219	3.5
265.08572	2.6
267.06610	5.7
268.10959	3.3
269.08206	2.8
279.10251	4.7
281.07990	4.8
282.08777	7.4
283.09412	2.5
286.08310	3.3
291.10223	3.5
292.10751	3.5
293.11499	3.4
294.12479	4.6
295.09863	2.8
295.13226	7.4
296.10385	3.8
297.11026	3.6
298.08423	3.6
301.10571	5.4
302.07669	4.1
308.10349	2.9
309.11234	3.7
309.14883	5.9
312.09964	4.3
313.10638	8.9
314.11328	3.5
317.10175	11.1
318.10944	9.7
323.12830	14.5
326.15009	3.1
327.12289	7.9
328.12927	5.4
331.11707	4.2
332.12567	15.4
333.13385	5.8
337.14343	21.8
338.15021	9.3
339.12241	6.4
339.15927	6.9
341.17538	5.4
345.13446	8.1
354.14755	4.3
355.15494	11.7
359.14920	5.5
369.17007	32.7
370.17703	29.0
386.17258	6.1
401.19568	100.0
402.19891	9.8
405.20059	3.2
451.20959	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.01868	2.5
55.05511	5.6
56.54299	1.6
57.03442	4.3
57.07099	1.9
57.31070	1.8
59.05013	2.7
65.03938	2.3
67.05507	9.5
68.99786	2.9
69.03437	8.6
69.07064	7.1
71.01378	2.2
71.05025	2.0
71.29623	2.0
71.30008	2.1
72.26846	1.9
73.02910	3.7
73.90091	1.7
79.05491	5.4
79.06562	1.6
79.13992	1.6
81.03409	3.0
81.07057	9.4
83.04961	9.0
85.02911	10.6
86.09716	2.7
91.05460	11.7
93.03431	2.3
93.07039	15.5
95.04974	10.1
95.08615	8.2
97.02895	4.8
97.06545	9.4
99.04462	3.1
105.07023	15.4
107.02167	2.0
107.04948	5.3
107.08595	14.5
109.02837	2.3
109.06529	3.4
109.10168	5.1
111.04427	13.7
111.08188	2.1
115.05444	4.0
117.07039	5.6
119.08575	23.1
121.02853	11.2
121.06519	6.2
121.10135	9.2
123.04449	9.3
123.08092	2.6
127.03911	3.6
128.06241	3.0
129.05457	3.8
129.07031	5.0
129.33553	1.8
131.08548	10.5
133.10129	26.7
135.04445	8.8
135.11725	6.1
137.05988	4.9
137.09641	2.2
139.03857	10.9
141.07022	2.0
142.07785	2.6
143.08560	7.1
145.04964	2.2
145.06532	3.3
145.10150	3.9
147.04439	4.2
147.08076	2.5
147.11690	9.3
149.02403	2.5
149.06026	2.2
149.13242	2.4
152.06209	3.2
153.01849	7.0
153.06975	3.2
155.08725	1.9
157.05077	4.4
157.06476	2.6
157.10143	10.4
159.08093	1.8
159.11690	20.0
160.05145	2.3
161.02348	2.4
161.05954	11.7
161.09618	11.1
161.13261	16.8
163.03928	8.8
163.06168	1.7
163.07500	2.1
163.11227	2.8
163.14841	10.2
165.01836	2.9
165.05592	3.3
165.07114	1.9
165.09149	2.6
167.08556	6.6
169.06502	5.3
171.07988	4.5
173.02420	2.9
173.06047	3.4
173.13153	4.4
175.03908	2.3
175.07521	8.2
175.11174	7.3
175.14841	5.4
177.05489	3.2
177.09268	2.0
177.12761	29.3
179.10643	2.6
181.04985	4.6
181.06442	3.4
183.08040	2.4
184.05196	3.9
185.05988	2.1
185.09636	5.8
187.07562	10.6
189.05466	2.5
189.09061	11.6
189.16365	20.0
191.07066	8.0
195.08037	12.2
199.07613	4.6
199.14856	5.5
201.05429	2.3
201.09079	8.8
203.07103	3.3
203.10670	2.9
205.08604	4.4
213.09076	18.9
215.06987	11.2
215.10678	4.1
217.06860	3.0
217.08667	7.2
217.15869	100.0
218.16238	6.9
225.09227	2.4
229.08620	7.5
231.10149	10.6
235.09648	5.5
235.16933	39.7
236.17230	3.4
241.08650	7.9
253.17995	5.1
259.09625	20.7
265.41690	1.7
271.05795	2.0
277.10770	4.9
287.05472	38.6
288.05832	80.9
289.06351	7.7
304.95532	2.0
337.09061	3.6
405.72479	1.7
433.15027	2.9
438.70267	2.7
450.13687	33.2
450.19510	3.2
451.15546	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.6
67.05503	1.7
69.07073	4.0
69.15140	8.3
79.05495	1.9
81.07056	4.8
83.04995	2.5
83.08594	1.7
91.05486	3.4
91.61887	0.9
93.07048	5.0
95.04953	1.6
95.08604	5.3
97.33853	0.9
98.22933	3.8
105.07017	5.3
107.08601	6.0
109.06489	1.2
109.10185	2.1
117.07000	1.5
119.08582	7.1
121.10145	2.1
123.08075	2.0
123.11695	1.1
129.06985	1.5
131.08577	6.0
133.10161	2.2
140.14894	1.0
141.06970	2.1
142.07819	2.5
143.08586	5.6
145.10121	4.3
146.94151	1.0
147.11711	1.8
155.08603	2.9
156.09325	4.1
157.10135	5.0
159.11717	2.7
161.13307	1.1
167.08569	1.8
169.10097	6.5
171.11705	9.5
172.12021	1.2
172.67664	1.0
173.13264	5.9
173.55943	1.1
175.11053	1.6
179.08600	2.0
181.10133	4.1
182.10715	1.4
183.11693	2.3
185.09578	1.1
185.13322	3.2
187.11215	1.4
193.10139	3.9
194.10756	1.3
195.11681	3.0
197.13309	4.1
199.14783	1.7
205.10187	2.1
206.10966	2.7
207.11688	4.6
208.12338	2.4
209.13252	4.7
211.14812	4.3
221.13182	6.2
222.13977	1.8
223.14795	15.0
224.15393	1.3
227.14368	1.6
233.13235	1.5
235.14781	2.0
245.13309	1.3
247.14792	1.5
249.16394	2.8
259.14716	1.2
261.16400	1.6
275.17896	3.2
290.20175	1.8
305.22766	2.4
310.22525	1.0
333.69797	1.1
378.85184	1.0
385.21417	1.9
397.25266	3.5
400.23990	1.7
415.26315	100.0
416.26605	12.4
432.30069	1.7
433.27264	2.3
450.30841	4.1
477.63092	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0483
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60883	5.2
70.05988	0.9
78.99467	0.9
110.41695	0.8
127.03929	1.7
131.56047	0.9
133.03453	1.1
135.47102	1.0
147.04402	1.5
163.03954	1.6
164.81761	0.8
180.89864	0.8
221.05168	1.2
391.02805	1.2
433.03906	1.3
451.04865	100.0
451.11694	3.5
452.05353	5.6
452.11252	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.0
61.64079	0.8
67.05499	1.5
68.99775	2.2
69.03394	0.8
69.38386	3.0
69.38789	1.8
85.02911	0.8
91.05492	4.0
93.03379	0.9
95.04951	1.1
97.02862	1.6
103.05479	1.7
105.07013	1.3
107.04966	2.1
115.05457	2.7
119.04929	9.3
123.04429	58.3
124.04711	1.9
127.03913	1.1
131.04913	3.6
133.06477	2.7
135.04462	4.4
137.02307	1.9
137.05960	1.6
139.03880	1.2
139.05501	0.8
141.01831	3.0
141.06960	0.8
143.04921	2.4
145.04761	0.8
147.04405	52.5
148.04774	1.7
149.02406	0.9
149.05937	1.8
151.03870	1.1
151.07573	0.9
153.01819	4.8
155.04916	2.5
159.04482	1.9
161.05960	9.4
163.03871	3.6
165.01756	0.9
165.05501	5.7
169.06454	1.4
171.04437	5.4
173.05960	2.8
175.03911	6.1
177.05453	11.1
179.03418	0.9
179.04868	1.4
182.06056	0.9
183.04404	2.4
184.07545	1.3
185.05984	2.0
187.03915	3.2
187.07568	1.3
189.05461	34.0
190.05785	2.1
193.04942	3.2
197.05991	3.1
199.03905	9.8
199.97537	0.9
200.04453	1.5
201.05493	5.8
203.03391	100.0
204.03723	3.9
205.05048	4.1
207.04465	1.3
207.06526	1.7
210.05559	2.0
211.03981	4.8
213.05460	3.3
215.03459	1.1
215.07108	1.3
217.04962	21.5
218.05309	1.1
221.04395	1.3
225.05426	2.3
227.03284	3.5
229.04907	6.3
231.10060	0.9
233.04440	12.1
235.03946	1.1
237.05383	1.0
239.03348	1.2
241.05008	1.3
243.06441	0.9
245.04463	24.0
246.04779	0.9
247.06042	2.2
249.05467	0.9
253.04942	12.8
254.05443	1.0
255.02786	1.7
255.06540	3.0
257.04443	34.4
258.04901	2.6
259.09793	1.0
265.04877	0.8
269.04416	2.6
271.05884	1.8
273.03867	1.3
275.05453	2.9
281.04425	10.1
282.04715	1.0
283.05893	2.4
287.05530	8.8
289.06699	1.4
299.05490	21.2
300.05933	1.0
301.06912	0.9
311.05399	4.7
329.06558	2.1
341.06464	0.8
363.08655	2.0
387.08435	2.6
391.08057	8.5
409.09207	29.1
410.09464	2.1
415.08099	3.8
433.09189	12.2
451.10037	11.9
451.16449	1.6
452.10495	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73581	0.4
53.03943	0.9
65.41154	0.4
68.99803	0.4
69.03435	3.2
70.57857	0.6
70.58181	0.7
71.33082	0.4
79.05495	1.0
81.03416	4.0
82.42812	0.3
85.02911	2.0
86.09703	0.5
86.87280	0.4
89.03915	5.6
91.05501	0.5
93.07049	0.7
95.04973	0.5
95.33660	0.4
97.02902	0.7
99.04471	0.7
103.05577	0.4
107.04961	2.3
108.30978	0.3
109.02875	1.8
117.03372	7.4
120.08150	0.5
121.02866	3.6
123.04410	1.0
127.03915	54.9
128.04256	1.3
135.04419	17.1
137.05963	2.1
145.02855	11.3
145.04865	0.5
151.03836	0.5
161.05965	0.5
161.93282	0.4
163.03903	100.0
164.04265	2.6
179.06987	0.7
181.05023	2.3
203.05183	0.5
211.68805	0.4
225.07588	1.3
243.79855	0.4
287.05444	2.6
288.05905	2.1
289.06079	4.8
289.13455	1.1
303.05017	0.6
307.08047	5.2
325.09052	1.9
451.19135	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1236
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
50.90147	0.6
51.02386	0.5
53.03947	1.0
54.86535	0.5
55.01875	1.2
55.05510	1.6
57.03426	0.8
59.79844	0.5
65.03944	3.2
67.05502	4.5
69.03437	4.0
69.07069	1.3
71.01365	0.6
71.03264	0.9
71.03589	0.7
71.05004	0.9
73.32944	0.4
79.05492	2.6
80.79910	0.5
81.03445	1.3
81.07050	1.7
83.04989	4.1
85.02906	2.7
89.03918	1.2
91.03740	0.5
91.05484	14.8
93.03397	1.1
93.07090	0.9
95.04970	9.2
97.02896	9.6
97.06539	11.9
105.07044	0.6
107.04933	0.8
109.02888	0.9
111.04457	3.5
115.05442	0.9
117.03331	0.6
117.07036	0.9
119.04944	28.5
119.08659	0.8
120.05298	0.7
121.02914	1.0
123.04434	2.4
125.01437	1.2
125.02355	25.1
127.03923	3.1
129.05469	0.8
129.07071	0.5
133.06419	0.6
133.10132	0.6
135.04433	2.7
137.05995	1.5
139.03891	2.3
143.03400	16.4
143.05025	0.7
143.08562	1.3
145.02841	0.6
147.04410	100.0
148.04709	3.5
149.02370	1.0
149.05968	1.0
151.03870	0.8
152.06177	1.0
153.01715	0.6
157.04984	1.2
157.10071	0.9
159.04417	0.6
160.05176	1.7
161.02359	1.9
161.05989	8.4
163.03915	10.1
163.07529	0.8
165.05502	2.4
165.06865	0.8
167.08566	5.6
169.12241	1.2
171.08084	1.4
173.02412	2.8
173.06010	2.0
174.06766	2.1
175.07526	2.7
176.04669	0.6
185.06033	0.6
185.09621	1.5
187.07486	1.1
189.05524	0.8
189.09087	13.1
195.08060	7.9
198.06734	1.4
199.07558	1.1
201.09091	1.1
203.07028	1.1
203.10719	1.5
205.08546	1.2
207.02855	1.0
209.04465	0.9
212.04776	0.6
213.07175	0.8
213.09128	14.0
215.06996	5.9
215.10423	1.0
217.05177	0.8
217.08574	4.9
231.10155	9.3
235.09735	1.1
241.08591	4.3
249.11227	1.8
259.09659	28.0
260.10052	1.8
277.10721	5.3
291.08630	2.1
305.05441	0.8
394.18878	0.5
411.95816	0.6
433.15027	1.5
451.15594	6.9
452.16315	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39051	0.2
53.03947	0.9
55.01873	0.3
63.02377	0.4
67.20250	0.2
69.03431	2.2
69.07061	0.4
70.18431	1.0
71.04971	0.2
73.02903	0.2
77.17722	0.3
79.05488	1.3
81.03414	1.3
85.02907	1.1
89.03916	7.3
90.04237	0.5
91.05466	0.4
91.91840	0.3
93.97587	0.3
95.04963	0.6
95.82645	0.3
97.02891	0.8
97.06522	2.0
99.04483	0.5
99.41464	0.3
107.04944	1.9
109.02863	1.1
117.03380	7.9
121.02827	0.3
123.04414	0.6
127.03913	100.0
128.04233	2.4
129.04422	0.3
135.04416	14.5
137.05981	1.0
139.03868	0.4
145.02847	8.5
145.05002	0.3
146.03195	0.6
161.05887	0.3
163.03899	74.0
164.04253	2.9
171.43138	0.3
173.02367	0.3
173.05995	0.4
181.04948	0.5
213.09102	0.4
231.10202	0.3
259.09668	1.5
289.05975	0.7
289.09122	1.8
307.08096	1.7
325.09204	0.6
387.21558	0.3
451.19418	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90147	0.6
51.02386	0.5
53.03947	1.0
54.86535	0.5
55.01875	1.2
55.05510	1.6
57.03426	0.8
59.79844	0.5
65.03944	3.2
67.05502	4.5
69.03437	4.0
69.07069	1.3
71.01365	0.6
71.03264	0.9
71.03589	0.7
71.05004	0.9
73.32944	0.4
79.05492	2.6
80.79910	0.5
81.03445	1.3
81.07050	1.7
83.04989	4.1
85.02906	2.7
89.03918	1.2
91.03740	0.5
91.05484	14.8
93.03397	1.1
93.07090	0.9
95.04970	9.2
97.02896	9.6
97.06539	11.9
105.07044	0.6
107.04933	0.8
109.02888	0.9
111.04457	3.5
115.05442	0.9
117.03331	0.6
117.07036	0.9
119.04944	28.5
119.08659	0.8
120.05298	0.7
121.02914	1.0
123.04434	2.4
125.01437	1.2
125.02355	25.1
127.03923	3.1
129.05469	0.8
129.07071	0.5
133.06419	0.6
133.10132	0.6
135.04433	2.7
137.05995	1.5
139.03891	2.3
143.03400	16.4
143.05025	0.7
143.08562	1.3
145.02841	0.6
147.04410	100.0
148.04709	3.5
149.02370	1.0
149.05968	1.0
151.03870	0.8
152.06177	1.0
153.01715	0.6
157.04984	1.2
157.10071	0.9
159.04417	0.6
160.05176	1.7
161.02359	1.9
161.05989	8.4
163.03915	10.1
163.07529	0.8
165.05502	2.4
165.06865	0.8
167.08566	5.6
169.12241	1.2
171.08084	1.4
173.02412	2.8
173.06010	2.0
174.06766	2.1
175.07526	2.7
176.04669	0.6
185.06033	0.6
185.09621	1.5
187.07486	1.1
189.05524	0.8
189.09087	13.1
195.08060	7.9
198.06734	1.4
199.07558	1.1
201.09091	1.1
203.07028	1.1
203.10719	1.5
205.08546	1.2
207.02855	1.0
209.04465	0.9
212.04776	0.6
213.07175	0.8
213.09128	14.0
215.06996	5.9
215.10423	1.0
217.05177	0.8
217.08574	4.9
231.10155	9.3
235.09735	1.1
241.08591	4.3
249.11227	1.8
259.09659	28.0
260.10052	1.8
277.10721	5.3
291.08630	2.1
305.05441	0.8
394.18878	0.5
411.95816	0.6
433.15027	1.5
451.15594	6.9
452.16315	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66217	0.2
53.03936	0.8
55.01859	0.7
57.03439	0.7
61.02918	1.0
67.05501	0.3
69.03427	2.2
73.02917	0.5
81.03397	1.0
85.02904	8.5
87.32983	0.3
91.03962	0.4
91.05473	0.3
97.02896	2.1
97.96330	0.3
100.57178	0.3
109.02853	1.6
113.82081	0.2
117.03394	0.6
123.04419	1.0
127.03912	100.0
128.04259	1.6
136.07623	0.3
145.02846	1.2
145.04936	2.1
147.04437	0.8
163.05913	0.4
177.05508	1.8
199.03909	0.3
203.03503	0.4
237.00610	0.3
306.35046	0.3
325.91205	0.3
333.05759	0.4
417.77393	0.3
451.11728	1.4
451.17740	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.6
55.01875	5.5
56.35112	3.4
57.03443	23.9
59.04992	4.4
61.02929	6.5
65.03932	4.3
67.05515	4.6
69.03431	39.3
71.04979	10.8
71.29041	4.2
71.65240	3.6
73.02921	26.0
79.05512	4.4
81.03411	9.1
83.04974	16.1
85.02905	100.0
87.04439	3.7
91.05482	7.4
95.04966	15.7
97.02901	33.7
99.04449	5.2
105.07024	6.5
109.02862	13.2
111.04441	18.9
115.03909	12.9
119.08588	5.9
122.09717	3.8
123.04433	28.9
127.03888	28.7
129.05466	9.4
131.04930	5.1
133.04964	8.9
135.04396	21.5
136.07646	6.7
137.05977	11.7
139.02962	4.4
139.03931	13.2
139.11237	3.8
140.07066	19.7
141.07004	4.5
143.03403	39.1
143.08583	7.6
145.04939	34.5
145.06569	3.9
147.04422	9.1
149.02324	5.7
149.05992	7.5
152.07065	3.7
159.04350	5.5
159.08130	5.1
161.05956	17.8
163.03902	20.1
163.06059	9.0
163.07489	6.5
164.07091	8.8
165.09134	4.5
167.08611	6.0
171.07980	5.2
173.05974	7.0
174.09079	3.8
175.07584	10.5
178.08652	6.5
182.08138	33.2
185.09605	5.1
187.07558	14.3
189.05510	6.8
189.09103	16.1
191.07060	33.3
192.14198	3.8
193.08611	7.0
195.08066	5.2
197.06042	5.6
203.07021	4.0
205.08591	14.2
206.08102	20.0
213.09108	16.6
215.07045	29.1
217.08636	11.3
217.15872	4.3
229.08749	4.5
231.10191	11.4
235.09630	16.8
241.08647	9.3
259.09631	21.9
271.06049	6.3
271.14316	4.5
289.06897	11.5
289.11850	5.2
302.12357	10.0
361.82751	3.9
451.15610	47.8
451.21725	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44055	0.3
53.03935	0.6
55.01870	0.7
56.96558	1.3
57.03430	0.4
61.02924	1.0
68.99789	0.3
69.03426	2.3
69.05028	0.3
71.18877	0.6
72.13397	0.4
81.03414	1.4
85.02905	9.6
92.90516	0.3
97.02895	3.0
98.97562	0.4
109.02873	1.0
116.20863	0.3
117.03384	0.5
118.37343	0.3
119.04947	0.5
123.04429	6.6
127.03913	100.0
128.04243	2.4
145.02853	0.8
145.04961	2.1
147.04420	2.4
155.04912	0.4
159.04445	0.5
161.05994	0.4
163.03967	0.7
171.04398	1.3
175.03983	0.6
176.20549	0.4
177.05519	0.8
187.04012	0.3
189.05513	0.7
199.03925	2.5
201.05438	1.5
203.03391	5.0
207.06357	0.3
209.01251	0.4
211.03856	0.5
213.05507	0.7
227.03450	2.9
233.04430	0.8
237.00790	0.7
245.04439	0.8
255.01881	0.6
257.04446	0.5
273.03189	0.4
289.09250	0.9
299.05426	1.2
391.08124	0.9
410.36038	0.3
427.05057	0.3
433.09113	0.9
451.10333	1.4
451.17508	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61452	1.1
52.08311	1.2
53.03937	1.6
55.01883	3.4
55.05510	2.7
57.03438	3.2
65.03941	3.4
67.05503	14.5
68.99779	1.7
69.03429	12.4
69.07066	5.3
69.41772	7.5
69.87214	1.0
70.06595	3.6
71.04998	3.8
71.31025	1.3
75.04472	2.4
79.05493	3.9
81.03397	1.2
81.07042	2.0
83.04972	7.5
85.02908	4.3
86.09690	2.6
93.03401	1.4
95.04974	33.8
97.06528	21.5
97.07132	1.8
99.98688	1.4
103.05453	2.3
104.10687	1.6
105.07050	1.6
107.04942	2.1
108.30878	1.3
109.02886	1.9
110.76624	1.3
111.04440	6.6
115.05492	2.0
119.95508	1.4
121.02858	3.5
123.04430	23.2
127.03921	9.1
128.06232	3.8
129.05502	4.2
129.07002	2.9
131.04944	1.6
133.10165	1.2
135.04417	6.8
136.04651	1.2
137.02368	1.4
137.06039	1.8
139.03923	5.1
141.07004	1.9
143.04948	1.9
143.08528	3.8
145.02834	2.7
147.04407	3.5
147.06581	2.5
149.02353	2.7
149.05972	1.9
151.03847	1.7
152.06192	3.9
153.01848	5.4
153.06978	1.6
156.05673	1.6
157.05029	2.7
157.06497	4.4
157.10104	4.1
159.04489	1.8
160.05194	7.0
161.02324	2.1
161.04886	0.8
161.05975	27.7
163.03896	34.8
165.01839	5.1
165.05482	3.9
167.08543	18.1
168.08922	1.5
169.06534	2.9
169.10182	1.7
171.08031	6.0
173.02338	4.0
173.05978	8.9
174.06752	13.7
175.03973	2.4
175.07492	9.1
177.01830	2.6
177.05478	2.2
179.03401	2.1
181.04988	2.5
181.06494	3.4
183.02971	2.2
184.05254	4.7
184.07343	1.9
185.06003	6.3
185.09541	6.8
187.07558	4.9
189.05513	8.3
189.09105	38.7
190.09373	1.6
191.03389	1.9
195.02904	6.2
195.08055	31.6
197.05962	2.4
197.09631	2.6
198.06776	4.9
199.07533	4.6
201.09096	4.8
203.03375	2.0
203.07063	11.6
203.10715	3.3
205.08629	1.7
209.04445	3.0
213.05685	2.3
213.09093	44.5
214.09647	2.7
215.07045	7.0
215.10593	8.4
217.04994	2.7
217.08611	7.5
219.02876	3.0
223.07532	4.5
226.06204	2.5
231.10187	16.6
232.10437	1.7
241.08592	15.3
245.04457	2.3
249.11208	5.1
255.06442	3.1
259.09659	100.0
260.10004	5.6
263.05597	6.2
271.05969	2.0
277.10696	18.1
281.06448	2.1
283.05994	3.1
287.05502	2.2
297.07538	1.7
297.99237	1.3
301.07098	2.6
305.06537	1.9
325.07095	2.9
347.07486	2.1
353.06497	1.6
371.07773	2.9
392.47458	1.3
397.09149	1.5
405.15012	1.4
415.09799	1.9
433.14890	4.5
451.16003	19.4
452.16446	2.6
470.19049	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01855	2.0
55.05516	2.8
57.03436	1.5
61.02926	10.0
62.03252	1.7
65.03942	3.1
67.05505	13.5
68.99789	2.7
69.03434	5.2
69.07070	2.6
71.04982	3.1
71.30188	1.8
73.02917	3.0
76.90642	1.1
79.05492	4.4
81.03418	2.5
81.07054	4.5
83.04980	8.1
84.90234	1.1
85.02914	8.7
86.03240	2.3
91.03960	5.2
91.05495	4.4
93.03416	2.8
93.04401	1.4
93.07050	2.7
95.04967	44.3
95.08632	1.6
97.02905	5.5
97.06531	16.3
98.03207	1.5
99.03368	1.2
105.05533	1.3
107.04936	1.2
107.08591	1.4
109.02895	1.4
109.10169	3.4
111.04440	6.7
113.06027	1.5
115.05435	2.9
115.65813	1.0
119.04930	5.9
121.02880	4.2
122.03226	1.7
123.04441	7.1
125.02364	5.1
127.11199	2.8
128.06221	2.4
129.05429	1.8
131.04878	1.9
133.06487	1.7
134.62933	1.3
135.04425	4.4
137.02359	1.2
137.05986	2.4
139.03915	5.2
141.07043	1.4
142.62781	1.1
143.03427	4.3
143.04947	1.7
143.08548	3.4
145.02870	1.4
145.06462	1.8
145.10164	1.1
147.04411	27.3
149.05969	2.2
149.09598	1.6
149.13217	2.3
149.33734	1.3
153.01837	5.8
154.02158	3.3
155.02380	1.5
157.05051	2.2
157.06467	2.3
157.10107	2.8
160.05202	11.5
161.02232	1.3
161.05978	31.4
162.06334	1.9
163.03925	16.2
164.04364	1.3
165.01805	2.2
165.05501	6.7
165.06831	2.2
167.08556	7.0
167.14301	3.3
169.12238	1.4
171.08060	3.7
173.02383	2.3
173.06013	3.2
174.06793	2.3
175.07570	7.2
185.05998	2.0
185.09624	4.3
187.07599	2.3
189.05524	2.0
189.09096	68.6
190.09467	2.5
195.08051	12.4
196.08382	1.4
197.05948	1.6
198.06744	1.5
201.09143	3.3
203.06993	2.0
203.10732	4.5
205.08652	1.6
207.02814	1.3
209.04416	5.4
213.05792	1.8
213.09128	23.0
215.07037	6.8
215.10565	1.3
217.08670	5.9
231.10170	17.2
233.08130	1.6
235.17010	1.5
241.08707	4.2
249.11153	8.3
249.44643	1.2
258.05338	1.3
259.09668	64.8
260.10095	2.5
261.11441	1.4
277.10715	27.0
287.05487	52.6
288.05832	46.2
289.06061	100.0
290.06366	4.1
301.06366	1.4
433.14999	4.2
442.66425	1.3
451.10422	1.7
451.15964	25.7
452.16312	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00324	0.3
53.03948	2.2
55.05512	81.2
56.05848	1.2
66.68956	0.3
67.05488	0.5
69.26263	2.5
75.43754	0.3
79.05490	0.8
82.48429	0.3
83.04982	100.0
84.05324	2.1
84.18449	0.3
86.95282	0.3
91.05484	0.5
93.07024	0.4
95.08603	0.7
98.22616	0.6
105.03385	0.8
107.08607	0.8
117.55973	0.3
119.08601	0.4
131.08556	0.4
134.76030	0.4
141.19769	0.4
143.08543	0.4
147.81335	0.3
165.07021	0.4
167.08632	0.3
169.10278	0.4
169.26590	0.3
172.68265	0.3
193.10059	0.4
207.08110	1.1
209.09639	0.4
220.05164	0.5
233.09656	0.5
234.06754	0.5
235.07466	2.1
237.09062	0.8
240.04240	1.1
247.07549	0.8
249.09187	0.4
250.06340	0.5
251.03378	0.6
251.07057	0.5
252.04167	0.5
253.04950	0.4
253.08725	0.4
254.05791	0.8
254.09296	0.4
261.09225	0.7
262.06180	0.6
262.09897	0.3
263.07016	6.5
264.07684	1.0
265.06134	0.3
265.08548	2.0
265.12384	0.4
266.05673	0.5
266.09299	0.4
267.03055	0.3
267.06573	0.8
267.10413	0.5
275.07074	1.2
276.07828	1.2
277.08597	1.3
278.05768	2.6
278.09009	0.6
279.06561	1.5
279.09894	0.7
280.07385	0.6
281.04529	0.6
281.07767	0.7
282.05280	0.5
282.08914	0.9
287.05191	0.3
289.04932	1.3
289.08463	0.9
290.05899	0.5
290.09293	0.7
291.06671	2.0
292.07202	0.5
293.04480	1.0
293.08054	7.3
293.11569	0.9
294.05817	0.4
294.08676	2.1
295.06064	0.7
295.09482	0.6
296.06750	0.6
297.07635	0.7
303.06418	1.0
304.07178	0.7
305.08011	4.3
305.11221	0.4
306.05188	1.4
306.08878	1.9
307.06000	1.0
307.09552	1.4
308.06866	0.7
308.10394	1.4
309.07538	1.8
309.11276	1.7
310.08218	1.1
311.09149	0.4
317.08047	0.5
318.08920	0.4
319.06454	0.3
319.09677	2.3
320.06857	0.8
320.10388	4.9
321.07565	26.7
321.10950	1.9
322.08072	3.7
323.09109	2.4
324.09851	0.6
325.10696	8.8
326.11255	0.3
335.09268	1.8
336.09909	20.4
337.10532	5.5
338.11395	0.8
339.12238	2.6
351.12256	59.1
352.08923	0.5
352.12665	4.8
353.10147	8.3
354.10681	0.8
367.11786	3.6
368.12506	5.7
369.12924	1.2
379.15710	0.4
391.15393	1.7
409.16449	1.7
419.14807	0.7
423.17841	0.7
433.27127	0.8
436.15213	0.5
451.17514	16.4
451.28113	1.0
452.17834	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68574	0.2
53.03948	2.0
55.01886	0.3
55.05512	79.1
56.05846	1.6
67.05505	1.5
69.07062	0.6
70.35038	0.9
79.05461	0.7
81.07068	1.5
83.04982	100.0
83.08643	0.3
84.05315	2.2
91.05498	1.2
93.07034	1.6
95.04948	0.4
95.08617	2.3
97.06541	0.5
105.06996	1.6
107.08595	2.5
109.06506	0.7
109.10168	1.1
111.04449	0.3
111.08112	0.6
117.07029	0.4
119.08604	2.1
121.06554	0.4
121.10178	1.7
123.08081	0.8
123.11725	0.5
125.09655	0.7
131.08589	1.2
133.10156	1.2
135.08096	0.4
135.11716	0.7
142.07813	0.5
143.08563	0.8
145.10121	1.6
147.11707	1.0
149.09589	0.7
155.08609	0.7
157.10091	1.5
159.08084	0.5
159.11713	1.3
161.09631	0.5
161.13281	0.4
163.11203	0.7
167.08611	0.3
168.09410	0.3
169.10190	1.1
171.11711	0.8
173.09711	0.4
173.13295	1.4
174.09987	0.4
175.11154	0.3
179.08609	0.6
181.10112	0.4
182.10905	0.3
183.11714	0.9
185.09645	0.4
185.13257	0.8
187.11201	0.6
187.14934	0.4
189.06895	0.4
189.12831	0.5
191.08659	0.4
193.10138	0.4
195.11661	0.5
197.13338	0.9
199.11226	0.5
199.14876	0.4
201.12784	0.5
202.13309	0.3
207.08121	0.6
207.11690	0.6
208.75577	0.3
209.13269	0.7
215.14395	0.5
216.14565	0.3
221.13269	0.4
223.14792	0.4
224.15526	0.3
225.16199	0.4
227.14182	0.5
229.15804	0.3
234.10483	0.3
235.07544	1.1
235.14819	0.3
236.08257	0.4
237.05693	0.4
237.09134	0.4
237.16266	0.5
239.03194	0.4
239.07065	0.3
239.14278	0.4
240.04161	0.5
243.17545	0.4
247.07509	0.9
248.08310	0.4
249.09068	0.4
249.16255	0.3
250.06236	0.6
251.03413	0.7
251.07120	0.4
253.05159	0.4
253.08330	0.4
253.15686	0.4
254.05772	0.6
255.17410	0.4
261.09122	0.6
263.07056	5.6
263.10071	0.5
263.10715	0.4
264.07657	1.0
265.05167	0.6
265.08630	2.0
265.15839	0.6
265.19479	0.3
266.05966	0.4
267.03027	0.4
267.06595	1.1
267.17374	0.3
275.07086	1.5
276.07663	0.4
277.08643	1.2
278.05826	2.5
278.09048	0.7
279.06488	1.0
279.09961	0.6
280.07196	0.4
281.04578	0.4
281.07858	0.4
281.19299	0.3
282.05081	0.4
282.08844	0.8
283.06012	0.5
289.04944	1.1
289.08463	0.7
290.05768	0.7
291.06561	1.7
292.07455	0.6
293.04709	0.6
293.08044	5.9
293.11346	0.6
294.08713	2.1
294.95773	0.3
295.06012	1.3
295.09396	0.6
295.20786	0.3
296.06763	0.4
297.07660	0.4
301.08401	0.3
303.06619	1.0
304.07187	0.6
305.08084	4.3
306.05255	0.9
306.08875	1.9
307.06052	1.0
307.09637	1.2
308.06888	0.6
308.10483	0.9
309.07651	1.8
309.11337	1.2
310.08463	0.9
310.22101	0.3
311.09033	0.5
319.09598	1.7
320.06766	0.9
320.10477	3.7
321.07581	25.0
321.10886	1.6
322.08127	3.1
323.09204	2.7
323.12695	0.5
324.09830	0.5
325.07077	1.2
325.10748	6.1
326.11066	0.6
335.09171	2.2
336.09912	16.5
337.10568	5.0
338.11420	0.8
339.08606	1.3
339.12375	2.2
340.09424	1.3
351.12265	52.5
352.12689	6.4
353.10178	7.3
353.14206	0.5
354.10675	0.6
355.26245	1.5
367.11758	4.2
368.12494	5.1
369.12747	1.6
391.15433	1.7
392.16138	0.5
405.31805	0.6
409.16647	1.8
415.25845	0.5
419.14951	1.2
423.18130	0.8
423.32590	0.5
433.27188	2.1
433.31454	1.7
436.15054	0.6
451.17590	15.0
451.32675	3.6
452.17850	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01885	0.6
55.05511	85.8
56.05849	2.4
67.05514	3.4
69.03438	0.8
69.07074	2.4
69.10536	4.6
75.04501	0.9
75.68194	0.5
79.05493	4.1
81.07057	5.3
83.04980	100.0
83.08634	0.8
84.05315	3.7
91.05466	3.7
93.07042	6.5
95.04965	2.0
95.08604	7.5
96.29125	0.5
97.06517	1.0
99.04475	0.9
105.03365	0.5
105.07026	6.8
107.08585	8.3
109.06519	1.6
109.07242	0.5
109.10152	3.8
111.04430	0.7
111.08085	1.0
115.05393	0.6
117.06981	1.6
119.08578	5.8
119.80681	0.5
121.06504	1.7
121.10139	5.8
123.08079	2.4
123.11700	1.6
125.05981	0.8
125.09606	1.3
128.06238	1.1
129.07018	2.3
131.08588	4.3
133.06488	0.7
133.10118	5.9
135.08063	2.5
135.11656	3.0
136.14571	0.5
137.06042	0.5
137.13258	0.6
139.07547	2.7
141.06981	0.8
142.07770	1.0
143.08548	4.6
144.07773	0.5
144.09334	0.8
145.10106	5.0
147.08031	2.1
147.11678	3.3
149.09595	1.5
149.13252	1.5
153.05472	4.1
153.09196	0.7
155.08553	2.0
156.09305	1.0
157.10150	4.5
159.08066	1.7
159.11700	5.3
161.09602	2.2
161.13202	2.4
163.11133	1.0
163.14798	0.7
165.07056	1.2
165.12752	0.6
167.07025	1.3
167.08452	0.8
167.10710	1.3
168.09360	0.6
169.10172	3.1
170.10846	0.7
171.08072	0.5
171.11696	4.4
172.08812	0.6
173.09589	2.1
173.13252	3.5
175.11122	2.0
175.14801	1.3
177.12706	0.6
177.16383	0.7
178.07771	1.0
179.08553	1.3
179.10693	0.7
181.10054	1.2
181.12248	0.8
183.11711	2.8
184.12706	0.6
185.09610	2.1
185.13292	3.0
187.11153	2.0
187.14818	2.6
189.07071	0.9
189.12735	2.2
189.16388	0.9
190.07675	1.8
191.08519	1.5
192.09279	0.8
193.10063	1.8
194.10876	0.8
195.11700	2.0
195.13828	0.7
197.13245	1.9
199.11151	1.4
199.14784	2.7
201.12735	2.2
201.16379	1.8
203.08585	0.9
203.14346	0.8
205.06549	1.3
205.10127	0.8
206.10965	0.9
207.08029	1.9
207.11635	1.3
207.13637	0.7
208.12230	0.5
209.13213	2.1
211.14764	1.6
213.12747	3.0
213.16344	1.5
215.06985	5.8
215.14293	4.6
217.15834	2.1
218.07213	1.3
219.08041	3.1
219.17426	1.5
221.09464	0.5
221.13368	0.7
222.10385	0.6
223.11223	0.9
223.14812	1.3
225.12766	0.9
225.16338	0.8
227.14246	2.0
229.15793	2.2
231.07994	1.6
231.17424	0.9
232.08751	1.3
233.09511	1.9
233.13179	0.8
234.06714	0.9
234.10474	1.1
235.07468	3.4
235.11050	0.8
235.14783	1.2
236.08200	0.9
236.15675	0.6
237.16348	1.3
239.14250	0.9
239.17830	1.0
241.15765	1.5
241.19360	0.9
246.06763	1.2
247.07483	5.6
247.14294	0.5
247.16818	0.6
248.08243	2.0
249.05345	1.1
249.09079	3.8
250.06166	1.1
250.09731	2.1
251.07138	0.8
251.10492	0.7
251.17880	0.9
252.04053	1.7
253.04665	0.6
253.19408	0.7
255.17453	0.8
257.18936	0.8
259.07550	0.7
261.09256	2.7
262.06265	1.2
262.09769	2.1
263.07031	7.6
263.10043	0.9
264.07611	1.6
265.04922	1.3
265.08478	1.9
265.12109	1.2
265.19482	0.8
267.06415	0.8
269.19031	0.9
274.06284	0.6
275.07004	5.1
276.04739	0.6
276.07715	3.6
277.08591	7.1
277.19244	0.7
278.05859	1.2
278.09244	3.9
279.06332	2.8
279.09644	0.8
280.03571	0.8
280.07278	0.7
281.08087	0.9
281.18893	0.7
283.20398	1.0
287.06946	0.7
289.05203	0.9
289.08478	3.9
290.05768	0.7
290.09305	2.3
291.06412	2.2
291.09991	2.2
292.07233	1.5
293.08029	4.1
293.11633	11.3
293.18918	1.0
293.22415	1.1
294.05368	0.6
294.08676	1.4
294.11838	0.7
295.06149	0.9
295.09558	1.6
295.20331	0.6
297.11057	1.2
303.06329	2.0
304.07242	3.0
305.08051	11.4
306.05649	0.5
306.08713	3.7
307.09576	3.5
308.10403	3.0
309.07471	1.6
309.11096	2.1
309.18427	0.7
309.21860	0.6
310.08340	4.0
311.20096	0.6
311.23459	1.1
318.08612	1.5
319.09662	9.8
320.06680	0.7
320.10406	14.8
321.07419	9.6
321.11099	12.9
322.07983	1.4
322.11505	1.2
335.08939	1.8
336.09909	4.8
337.10635	7.3
338.10840	0.9
351.12259	34.8
352.12604	2.6
353.09842	0.6
367.11728	0.9
369.12943	3.1
391.15469	2.6
391.25940	1.2
405.31512	1.2
407.29208	0.7
415.25754	1.1
415.30817	1.1
419.14789	0.6
423.17685	0.9
433.26453	2.2
433.31607	9.1
434.31793	0.7
451.12399	0.6
451.17804	7.5
451.25961	2.4
451.31778	8.9
452.17847	0.6
452.32352	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68574	0.2
53.03948	2.0
55.01886	0.3
55.05512	79.1
56.05846	1.6
67.05505	1.5
69.07062	0.6
70.35038	0.9
79.05461	0.7
81.07068	1.5
83.04982	100.0
83.08643	0.3
84.05315	2.2
91.05498	1.2
93.07034	1.6
95.04948	0.4
95.08617	2.3
97.06541	0.5
105.06996	1.6
107.08595	2.5
109.06506	0.7
109.10168	1.1
111.04449	0.3
111.08112	0.6
117.07029	0.4
119.08604	2.1
121.06554	0.4
121.10178	1.7
123.08081	0.8
123.11725	0.5
125.09655	0.7
131.08589	1.2
133.10156	1.2
135.08096	0.4
135.11716	0.7
142.07813	0.5
143.08563	0.8
145.10121	1.6
147.11707	1.0
149.09589	0.7
155.08609	0.7
157.10091	1.5
159.08084	0.5
159.11713	1.3
161.09631	0.5
161.13281	0.4
163.11203	0.7
167.08611	0.3
168.09410	0.3
169.10190	1.1
171.11711	0.8
173.09711	0.4
173.13295	1.4
174.09987	0.4
175.11154	0.3
179.08609	0.6
181.10112	0.4
182.10905	0.3
183.11714	0.9
185.09645	0.4
185.13257	0.8
187.11201	0.6
187.14934	0.4
189.06895	0.4
189.12831	0.5
191.08659	0.4
193.10138	0.4
195.11661	0.5
197.13338	0.9
199.11226	0.5
199.14876	0.4
201.12784	0.5
202.13309	0.3
207.08121	0.6
207.11690	0.6
208.75577	0.3
209.13269	0.7
215.14395	0.5
216.14565	0.3
221.13269	0.4
223.14792	0.4
224.15526	0.3
225.16199	0.4
227.14182	0.5
229.15804	0.3
234.10483	0.3
235.07544	1.1
235.14819	0.3
236.08257	0.4
237.05693	0.4
237.09134	0.4
237.16266	0.5
239.03194	0.4
239.07065	0.3
239.14278	0.4
240.04161	0.5
243.17545	0.4
247.07509	0.9
248.08310	0.4
249.09068	0.4
249.16255	0.3
250.06236	0.6
251.03413	0.7
251.07120	0.4
253.05159	0.4
253.08330	0.4
253.15686	0.4
254.05772	0.6
255.17410	0.4
261.09122	0.6
263.07056	5.6
263.10071	0.5
263.10715	0.4
264.07657	1.0
265.05167	0.6
265.08630	2.0
265.15839	0.6
265.19479	0.3
266.05966	0.4
267.03027	0.4
267.06595	1.1
267.17374	0.3
275.07086	1.5
276.07663	0.4
277.08643	1.2
278.05826	2.5
278.09048	0.7
279.06488	1.0
279.09961	0.6
280.07196	0.4
281.04578	0.4
281.07858	0.4
281.19299	0.3
282.05081	0.4
282.08844	0.8
283.06012	0.5
289.04944	1.1
289.08463	0.7
290.05768	0.7
291.06561	1.7
292.07455	0.6
293.04709	0.6
293.08044	5.9
293.11346	0.6
294.08713	2.1
294.95773	0.3
295.06012	1.3
295.09396	0.6
295.20786	0.3
296.06763	0.4
297.07660	0.4
301.08401	0.3
303.06619	1.0
304.07187	0.6
305.08084	4.3
306.05255	0.9
306.08875	1.9
307.06052	1.0
307.09637	1.2
308.06888	0.6
308.10483	0.9
309.07651	1.8
309.11337	1.2
310.08463	0.9
310.22101	0.3
311.09033	0.5
319.09598	1.7
320.06766	0.9
320.10477	3.7
321.07581	25.0
321.10886	1.6
322.08127	3.1
323.09204	2.7
323.12695	0.5
324.09830	0.5
325.07077	1.2
325.10748	6.1
326.11066	0.6
335.09171	2.2
336.09912	16.5
337.10568	5.0
338.11420	0.8
339.08606	1.3
339.12375	2.2
340.09424	1.3
351.12265	52.5
352.12689	6.4
353.10178	7.3
353.14206	0.5
354.10675	0.6
355.26245	1.5
367.11758	4.2
368.12494	5.1
369.12747	1.6
391.15433	1.7
392.16138	0.5
405.31805	0.6
409.16647	1.8
415.25845	0.5
419.14951	1.2
423.18130	0.8
423.32590	0.5
433.27188	2.1
433.31454	1.7
436.15054	0.6
451.17590	15.0
451.32675	3.6
452.17850	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01863	5.0
57.03437	8.5
61.02923	5.9
67.05507	3.9
69.03439	12.1
69.07050	2.5
69.43549	3.9
69.43948	7.4
71.01351	1.7
71.04980	1.9
73.02930	16.0
79.05476	4.2
81.03426	6.1
81.07065	6.0
85.02910	100.0
86.03234	3.4
91.03960	1.6
91.05472	8.2
92.05819	2.8
93.07074	1.8
95.04945	3.4
97.02284	2.4
97.02901	33.8
97.25151	1.6
103.03944	3.0
108.08106	8.8
109.02888	11.6
110.03185	1.7
111.18561	1.7
115.03899	4.7
119.80517	1.6
122.06026	4.2
123.04443	2.8
125.05950	2.6
126.05534	6.8
126.09090	4.0
127.03919	26.3
132.06569	2.5
133.04988	3.6
136.07588	11.9
140.07068	62.6
145.03871	2.8
145.04958	33.8
145.06035	1.2
149.33369	1.9
150.07654	2.8
150.09146	4.0
152.07069	13.7
154.08618	3.8
163.03957	2.3
163.06039	21.0
164.07104	20.2
178.08623	13.8
182.08144	94.4
183.08469	3.4
206.08130	50.6
207.08513	2.5
218.08034	4.2
225.75745	2.0
236.09225	3.5
248.09242	13.0
266.10269	2.0
284.11292	6.6
289.11728	6.6
302.12335	10.7
451.19873	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27592	0.4
56.53114	0.4
69.50304	2.4
76.08607	0.4
80.17992	0.4
81.07028	0.5
86.30820	0.4
89.18661	0.8
89.19144	0.5
98.22636	0.4
120.08053	0.8
123.04390	0.6
137.05916	1.6
139.23048	0.5
161.05997	0.5
163.03918	0.6
178.12350	0.5
185.04205	0.6
223.00499	0.4
256.07306	0.4
259.39957	0.4
271.13037	8.8
271.65747	0.5
287.05569	0.7
288.05823	0.6
289.14084	100.0
290.14413	5.6
299.05490	1.7
451.19385	80.8
452.19696	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1954
Annotation	Oligandriortholactone
Peak:m/z	Relative Intensity
61.02937	0.3
69.03456	0.3
69.23080	0.8
69.23479	1.2
78.68518	0.3
81.03425	0.3
81.93432	0.2
84.28842	0.3
85.02887	0.8
87.38214	0.3
89.03941	0.3
91.03986	0.3
93.07028	0.2
94.63184	0.2
98.23441	0.3
100.84969	0.2
105.54530	0.3
117.03389	0.6
121.02905	0.4
123.04416	0.3
127.03919	3.2
135.04434	1.0
137.05952	0.7
145.02924	0.6
151.03900	0.5
153.01819	0.3
163.03911	6.1
163.05188	0.5
179.07040	0.6
181.05046	0.3
203.05251	2.6
203.06821	0.3
211.37657	0.3
225.07603	0.6
242.71480	0.3
271.13077	6.1
281.36755	0.3
287.05438	1.9
287.12500	1.4
288.05878	2.0
288.12747	1.4
289.06055	3.9
289.14005	6.0
290.14139	0.5
426.37653	0.3
430.13821	0.3
433.18277	0.5
451.19348	100.0
452.19727	7.9
452.24695	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.0
55.01868	1.7
55.05505	1.9
57.03720	0.8
65.03954	1.1
67.05507	9.1
69.03080	1.5
69.03429	17.5
69.07066	1.6
69.71341	4.3
79.05492	20.7
81.03420	1.8
81.07060	88.1
82.07382	2.1
82.15862	1.0
83.04979	2.5
91.04961	1.1
91.05489	14.4
93.07043	9.5
95.04984	9.2
95.08611	10.4
97.02865	1.9
97.06525	3.5
103.05469	1.6
105.06364	1.5
105.07036	14.7
107.04964	2.5
107.08595	8.0
107.35280	0.9
109.02895	1.9
109.06524	28.6
109.10195	2.0
111.04431	2.0
111.08080	2.0
115.05447	3.7
116.06223	1.9
117.07015	8.7
119.04948	2.4
119.08598	9.3
121.06549	4.1
121.10146	2.3
123.04430	2.9
123.08083	5.9
124.08842	3.3
125.06013	1.4
125.09684	1.8
128.06207	7.1
129.07011	13.3
130.07779	3.6
131.04951	2.4
131.08578	12.0
132.05745	1.0
133.06477	3.9
133.10115	3.5
135.08041	7.4
135.11707	0.9
137.05980	100.0
138.06296	2.0
139.07541	3.6
141.06978	8.1
142.07774	4.0
143.08568	10.7
144.05644	1.1
144.09265	1.3
145.06477	5.8
145.10133	12.9
147.08026	10.9
147.11649	1.2
149.06000	2.8
149.09587	2.6
151.07559	3.0
152.06163	1.1
153.05714	1.3
153.07008	4.4
154.07780	3.9
155.08554	44.7
156.09378	6.1
157.06512	3.5
157.08940	0.9
157.10098	6.9
158.07272	3.7
158.10875	1.6
159.08075	13.3
159.11705	3.6
160.08775	1.7
161.06036	2.0
161.09634	5.4
163.07556	4.0
163.11206	1.1
165.05566	1.6
165.07034	4.7
165.09145	1.6
166.07703	2.1
167.08580	5.2
168.09282	1.6
169.06479	1.4
169.10126	9.5
170.10760	1.7
171.08046	5.2
171.11737	4.6
172.08850	3.8
173.05937	1.2
173.09631	48.7
174.10400	11.9
175.07547	4.0
175.11098	2.4
176.08324	1.1
177.05446	1.7
177.09079	2.3
178.07782	2.7
179.08502	6.5
180.09288	1.5
181.10130	7.9
182.10774	1.8
183.08073	3.0
183.11696	2.8
185.09630	5.7
185.13271	2.0
187.07533	1.6
187.11218	6.3
188.08362	1.2
188.11961	1.2
189.09114	5.3
191.06956	1.6
191.08580	1.8
191.10606	2.4
192.09303	4.1
193.10104	5.0
194.10817	2.6
195.08029	3.0
195.11679	6.2
196.08884	1.8
196.12436	1.1
197.09618	5.6
197.13271	5.4
198.10164	1.0
199.07368	1.2
199.11176	1.9
200.08287	1.0
201.09100	8.6
203.10696	1.9
205.10207	1.3
205.12134	1.1
206.10924	2.3
207.11697	8.1
209.09612	3.2
209.13219	3.0
210.10457	2.1
211.11137	4.3
211.14813	1.7
213.09122	2.5
213.12718	5.4
214.13362	1.1
215.08749	1.2
215.10722	2.5
215.14230	1.1
217.08430	1.8
217.10258	1.9
219.11768	2.5
221.09618	1.3
221.13237	4.3
223.11124	3.0
223.14888	1.9
224.11894	1.2
225.09129	1.3
225.12762	11.1
227.10670	2.1
227.14255	2.5
229.10141	1.4
229.12163	1.3
231.09949	2.0
231.11914	1.7
231.13774	1.4
233.13246	2.7
234.10374	1.2
235.11147	3.1
235.14815	1.0
237.12766	2.8
238.13492	1.4
239.10677	2.4
239.14297	6.2
240.15118	6.4
243.13950	2.0
245.13284	1.3
247.11269	1.6
247.14832	1.3
249.12750	3.1
250.13486	1.5
251.10669	1.0
251.14287	2.9
253.12206	5.8
255.13873	2.2
257.15454	1.2
259.14966	1.1
263.10748	1.8
263.14352	1.3
267.13840	4.7
268.14566	9.5
269.15317	1.6
273.12744	1.4
277.12283	1.1
277.15649	1.3
279.13770	2.8
281.11679	5.0
295.13431	1.7
296.14169	5.6
299.12726	2.0
303.13696	0.9
313.14389	5.3
314.15131	11.9
345.18411	1.2
347.16376	1.3
351.16940	0.9
359.20102	1.2
363.19293	1.2
369.18347	2.7
373.17926	1.2
377.20993	3.6
387.19611	4.9
391.18951	4.4
405.20624	22.8
406.21039	1.2
415.18948	3.2
423.21365	2.2
433.19998	14.5
433.26233	1.3
434.20197	2.3
451.21130	45.2
451.28012	2.6
452.21573	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.7
53.03941	1.5
55.01870	1.4
55.05507	1.3
63.02375	0.5
63.65392	0.4
65.03943	2.2
67.05505	9.5
69.03426	11.7
69.07069	1.3
69.18360	1.7
69.18780	1.4
71.04974	0.4
79.05493	18.6
80.05815	0.5
81.03429	1.0
81.07056	96.4
82.07391	1.6
83.04974	1.3
87.51195	0.4
91.05482	12.1
93.07039	5.7
95.04967	10.1
95.08603	6.4
96.05784	0.8
97.02906	1.4
97.06533	2.4
103.05474	1.5
105.03412	0.6
105.04520	0.5
105.06367	0.8
105.07030	10.7
106.07339	0.5
107.04964	1.6
107.08598	4.5
109.02895	1.9
109.06518	28.7
110.06818	0.9
111.04432	1.0
111.08080	1.7
115.05442	4.0
116.06261	0.8
117.07022	9.6
117.07826	0.6
119.04949	2.1
119.08588	5.0
121.06504	3.6
121.10122	1.9
123.04443	2.6
123.08086	3.1
124.08858	3.1
125.05978	0.6
125.09612	0.6
128.06209	5.5
129.07011	10.3
130.07791	3.9
131.04926	1.5
131.08568	8.5
132.05679	0.4
133.06499	3.2
133.10161	2.5
134.07332	0.4
135.04437	0.6
135.08054	4.2
137.05974	100.0
138.06288	2.2
139.07610	0.7
141.06984	6.4
142.07825	3.5
143.08553	11.0
143.09662	0.8
144.09256	1.3
145.06496	6.3
145.10130	10.3
145.11266	0.8
146.07265	1.1
147.04407	0.6
147.08049	10.0
147.11688	0.9
148.08762	0.5
149.05988	1.1
149.09618	1.7
151.07547	3.9
152.06262	0.7
153.06995	5.0
154.07745	2.7
155.08551	54.0
156.08945	2.4
157.06502	2.6
157.10112	3.7
158.07300	2.9
159.04391	0.5
159.08057	6.6
159.11702	1.5
160.08783	1.7
161.05975	1.1
161.09605	3.5
163.07538	4.6
163.11142	0.6
165.06963	3.3
166.07765	1.6
167.08559	4.5
168.09300	1.4
169.06494	1.2
169.10118	4.9
170.10860	0.4
171.08031	4.9
171.11668	2.1
172.08821	2.8
173.06070	1.2
173.09621	54.3
174.06772	0.8
174.10355	5.1
175.07535	3.3
175.11201	1.7
176.08345	1.8
177.09109	1.5
178.07707	2.0
179.08546	6.4
180.09329	1.9
181.06499	1.1
181.10098	5.6
182.07283	1.4
182.10858	1.5
183.08003	3.7
183.11656	2.7
184.08774	0.8
185.06012	0.7
185.09644	3.9
185.13271	1.1
186.10245	0.9
187.07585	1.8
187.11142	2.7
188.08354	1.0
189.09096	4.6
189.12814	0.6
190.09856	1.7
191.07050	1.7
191.08611	1.0
191.10674	1.7
192.09421	3.1
192.10986	0.7
193.10149	4.0
194.07121	0.5
194.10918	1.8
195.08081	2.9
195.11682	4.6
196.08847	1.3
196.12431	1.1
197.09619	6.0
197.11372	0.7
197.13248	3.9
198.10286	1.3
198.13791	0.6
199.07454	2.6
199.11137	2.3
200.08304	1.3
201.09100	12.7
201.12752	0.8
202.07794	0.9
202.09572	0.7
203.06969	0.9
203.08838	0.7
203.10701	2.5
204.09348	0.9
205.10153	1.2
205.12090	0.6
206.10973	1.1
207.08086	0.9
207.11668	8.7
208.08861	0.8
208.12451	1.0
209.09607	2.7
209.13232	2.7
210.10405	2.1
211.07646	1.1
211.11185	3.9
211.14778	2.0
212.11963	1.6
213.09154	2.1
213.12660	2.7
214.09961	0.5
214.13535	0.9
215.10667	2.0
215.14333	1.2
216.07719	0.7
217.08447	1.0
217.10184	1.5
217.12057	0.4
219.11679	1.2
220.08847	0.5
221.09705	1.4
221.13206	3.5
222.10425	0.8
222.13972	2.0
223.11179	1.7
223.14810	1.8
224.11954	0.9
225.09340	0.8
225.12717	9.7
226.09834	0.8
226.13216	0.9
227.10706	1.6
227.14302	2.0
229.12228	0.8
231.10158	1.5
232.12396	1.1
233.09654	0.7
233.13286	1.8
234.10440	0.5
234.13792	0.6
235.11162	4.6
236.11853	0.4
237.08989	0.5
237.12755	3.1
238.09908	0.7
239.10693	1.7
239.14328	6.4
240.11487	0.7
240.12418	0.5
240.15039	8.1
241.08510	0.6
241.12225	1.5
241.15784	1.2
243.13878	1.8
245.09674	0.8
245.13345	0.8
246.10309	0.4
247.11331	0.9
247.14690	0.6
249.12764	3.6
249.16408	1.1
250.13541	4.0
251.14281	1.2
252.11420	0.8
253.12212	6.4
255.13881	2.4
259.11380	0.9
259.15088	0.6
261.12790	0.9
263.10666	1.8
265.12402	0.6
266.12866	0.5
266.53979	0.4
267.13846	6.2
267.17056	0.9
268.14572	16.5
269.15182	2.5
271.13361	0.7
273.12738	0.6
275.14355	1.0
277.12329	0.8
277.15979	1.4
278.13168	0.7
279.13757	1.1
281.11755	7.1
285.14984	2.0
288.11392	0.4
295.13315	4.3
295.16861	0.9
296.14050	11.4
297.14868	1.0
299.12885	1.8
301.16037	0.4
303.13882	0.6
307.16910	0.5
313.14349	10.0
314.15112	9.2
315.15668	1.0
317.15460	1.0
321.18353	0.7
331.20474	0.6
341.19037	1.2
347.16379	1.8
351.17731	0.7
359.20120	1.9
369.18594	1.6
377.21167	3.9
387.19550	6.1
405.20593	31.1
406.20822	2.3
415.19168	1.7
423.21735	1.8
433.20151	10.3
433.26715	0.6
451.21149	43.3
452.21524	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.7
55.01880	4.8
55.05515	25.9
56.91813	1.9
57.07074	3.8
59.05000	4.5
59.06083	2.0
65.03944	3.8
67.05509	37.8
69.03421	7.2
69.07066	16.8
71.05015	3.5
73.26973	2.1
76.38269	2.1
77.03950	2.5
77.26040	2.3
79.05493	37.4
81.03419	3.6
81.07056	49.9
82.62780	1.8
83.04981	22.6
83.08619	7.2
89.76487	1.9
91.05482	46.5
91.06013	3.9
92.05786	2.1
93.07043	70.9
95.04980	22.0
95.08610	76.2
97.06518	10.2
98.22528	5.1
99.04491	3.7
103.05480	4.7
105.04549	2.9
105.07030	69.9
107.04977	3.8
107.08593	56.4
109.02821	2.3
109.06520	19.3
109.10167	23.4
111.04458	13.1
111.08080	11.2
113.06033	4.8
115.05440	5.4
116.06232	3.8
117.07024	21.6
119.08579	66.9
120.08939	2.0
121.06509	23.3
121.10150	29.7
123.08082	32.9
123.11727	9.0
125.06023	2.8
125.09638	6.4
127.07629	2.1
128.06210	12.7
129.07011	19.2
130.07797	5.3
131.08572	46.3
131.09505	3.8
133.06529	7.0
133.10127	46.9
135.04430	4.6
135.08058	25.1
135.11696	16.6
137.05997	7.3
137.09581	4.6
139.07565	11.0
141.06972	16.8
142.07765	17.5
143.08569	45.3
144.09372	6.7
145.06476	10.2
145.10130	56.0
146.07266	4.8
146.10532	4.1
147.08058	21.4
147.11682	25.7
149.05978	4.6
149.09637	11.4
149.13251	11.1
151.11143	2.4
152.06256	2.4
153.06978	9.0
153.09128	3.4
154.07767	3.4
155.08534	33.4
156.09349	14.4
157.06479	6.5
157.10120	49.2
158.07271	6.6
158.10803	6.6
159.08060	21.8
159.11700	40.2
160.08804	3.9
160.12360	3.2
161.09616	26.7
161.13263	12.8
162.09872	2.3
163.07594	4.4
163.11186	10.2
165.06972	17.9
166.07756	8.3
167.08542	18.1
168.09285	10.5
169.06485	2.9
169.10121	33.7
170.10875	7.3
171.08058	16.0
171.11688	28.8
172.08861	6.5
173.09622	34.7
173.13237	19.6
175.07642	5.1
175.11232	13.4
175.14851	7.4
177.09177	3.7
177.12778	6.8
178.07828	8.5
178.17288	2.1
179.08569	17.2
180.09409	14.6
181.06516	3.8
181.10124	28.6
181.11903	3.1
182.10886	8.3
183.08125	11.9
183.11690	35.6
184.12401	5.8
185.09610	15.2
185.13255	23.2
186.10367	4.1
186.13654	3.0
187.07587	5.8
187.11197	19.9
187.14793	13.4
189.09135	8.3
189.12788	15.1
189.16441	3.5
190.07828	5.0
191.06950	2.8
191.08549	4.6
191.10596	3.6
191.14363	4.5
192.09332	13.2
193.08630	3.9
193.10132	24.2
194.10950	11.0
195.08099	7.6
195.11697	36.5
195.13527	2.8
196.08804	4.8
196.12399	8.2
197.09654	11.0
197.13249	23.1
198.10449	3.6
199.07544	5.3
199.11172	14.5
199.14799	10.1
201.09018	2.9
201.12741	16.6
201.16411	7.6
203.08672	5.0
203.10675	6.1
203.14334	8.0
204.09416	2.8
205.10181	16.3
205.12064	4.1
206.10899	11.5
207.08255	2.4
207.11765	25.3
207.13759	3.8
208.08852	5.9
208.12479	7.5
209.09677	14.9
209.13274	26.4
210.10422	4.7
210.13809	2.5
211.07498	3.6
211.11200	19.6
211.14738	11.4
212.11841	3.1
213.09093	4.3
213.12735	27.6
213.16455	6.6
215.08614	3.5
215.10716	3.9
215.14325	25.3
216.09322	5.3
217.10077	7.5
217.12103	2.8
217.15868	10.2
218.10924	8.4
219.11700	12.9
219.13809	5.2
219.17441	6.3
220.12563	6.5
221.09660	5.3
221.13304	20.1
222.10431	3.2
222.14053	4.7
223.11209	22.1
223.14775	12.4
224.08336	7.3
224.11693	3.1
225.09161	5.7
225.12732	15.9
225.16351	6.8
226.13283	3.2
227.10713	9.9
227.14302	10.9
229.10252	4.3
229.12238	11.4
229.15887	6.9
230.10921	5.9
231.11632	7.6
231.13905	3.9
231.17371	3.6
232.12524	9.4
233.09682	3.0
233.13310	14.0
233.15277	3.8
233.19144	3.4
234.13998	5.9
235.11186	8.6
235.14793	14.9
236.15367	2.5
237.12697	10.7
237.16385	10.8
239.10669	11.7
239.14345	12.3
241.12144	16.1
241.15833	13.4
243.11722	3.7
243.13898	6.2
243.17390	3.8
244.12498	3.4
245.13293	6.8
245.15479	2.9
246.10423	3.0
246.13838	4.1
247.11165	5.2
247.14854	11.7
248.12010	2.9
248.15378	2.7
249.12819	7.0
249.16341	9.3
251.10678	6.3
251.14326	9.2
251.18005	6.0
253.12225	9.8
253.15875	6.4
255.13853	9.9
255.17493	3.7
257.13171	4.7
259.11093	2.9
259.14767	5.1
259.17062	5.4
260.12033	3.3
260.15628	4.7
261.12881	6.7
261.16333	7.6
262.13553	3.2
263.14368	10.0
263.18002	4.8
264.14938	2.6
265.12439	3.2
265.15848	12.4
265.19507	4.4
267.13821	6.7
267.17413	4.8
269.11859	6.7
273.12659	4.6
273.16339	5.6
274.13766	2.5
275.14346	10.6
275.17563	4.1
277.12347	2.2
277.15866	5.8
277.19379	5.3
279.13849	4.1
279.17447	3.0
281.15482	10.6
283.16949	7.8
287.14212	2.8
289.12387	2.9
289.15854	6.3
290.20490	2.6
291.13779	5.1
291.17502	7.6
292.14499	3.8
293.15369	20.9
293.18796	5.0
294.15988	3.1
295.16980	10.2
295.20377	3.1
297.18576	3.5
301.12808	2.6
301.16016	6.5
303.17358	5.0
305.15488	3.6
305.18988	2.4
307.16959	4.4
308.17422	3.6
309.07510	3.2
309.15335	3.7
309.18448	10.6
311.16440	8.3
311.19882	2.9
311.23538	4.0
317.19135	2.9
319.16934	14.2
322.29807	2.4
323.20038	4.8
323.23541	3.0
331.16882	3.5
333.18491	3.6
337.17993	18.5
337.24960	3.3
347.20230	3.5
351.27185	3.3
355.19019	2.5
359.23761	3.6
369.22232	5.3
371.19977	3.4
377.24808	5.8
387.23218	26.1
389.20993	5.2
391.26389	5.8
393.20490	3.2
397.21506	11.2
398.57431	2.4
405.24210	37.9
405.31537	9.7
406.24741	3.2
407.22131	6.5
415.22565	44.3
415.28583	3.0
415.30267	3.1
416.22903	3.8
421.23877	2.6
423.25143	7.6
433.23709	100.0
433.30847	21.8
434.23984	9.2
451.24158	99.1
451.31995	21.2
452.24857	8.5
469.25668	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2844
Annotation	Wilforol B
Peak:m/z	Relative Intensity
52.47818	1.9
53.03940	5.9
55.05511	66.8
57.07060	2.8
60.18050	2.1
60.18360	2.1
67.05498	18.6
69.03424	3.3
69.07050	9.5
71.30887	2.4
73.66755	2.2
79.05497	12.0
81.07064	21.6
83.04978	82.1
83.08584	3.3
84.05290	2.3
91.05470	18.6
92.95727	2.1
93.07040	27.6
95.04950	7.3
95.08599	43.7
97.06509	7.2
98.22621	2.3
101.28612	2.2
105.03397	9.0
105.07034	35.9
107.08597	29.0
109.06516	9.9
109.10117	12.8
111.04424	4.5
111.08073	9.4
115.05449	2.2
117.07008	9.5
117.12650	2.1
119.08581	28.5
121.06503	7.5
121.10134	12.6
123.08081	8.4
123.11716	5.5
128.06213	5.4
129.06961	11.2
131.08563	18.2
133.10133	16.0
135.08043	8.9
135.11678	7.5
137.05972	8.1
138.39851	2.3
139.07510	5.7
141.06973	8.5
141.09094	2.9
142.07793	12.6
143.08553	31.8
145.06509	3.6
145.10127	22.0
147.08051	6.6
147.11670	5.5
153.07018	3.0
155.08543	21.7
156.09312	9.7
157.10126	30.7
159.08015	5.5
159.11676	25.9
161.09634	9.9
161.13260	3.5
163.11215	3.9
165.07085	5.7
166.07733	2.6
167.08549	8.3
168.09357	4.0
169.10147	31.9
170.10802	6.0
171.08073	5.0
171.11711	19.9
173.09660	7.3
173.13289	8.5
175.11240	3.4
177.09114	3.1
177.12721	2.6
179.08563	9.4
179.10713	2.7
180.09424	4.7
181.10117	15.1
182.10934	6.9
183.08086	3.1
183.11697	28.6
184.12311	2.5
185.09605	6.2
185.13281	10.7
187.11179	6.7
187.14748	4.5
189.12775	6.2
192.09383	2.5
193.10085	10.7
194.10895	8.8
195.08139	3.2
195.11688	30.1
196.12416	7.6
197.13263	32.3
198.97098	2.2
199.14853	8.5
201.09094	2.8
201.12694	3.7
205.10202	3.4
205.12254	2.8
206.10992	3.5
207.11659	12.8
208.12302	4.5
209.09532	2.5
209.13264	36.9
211.11172	5.1
211.14801	19.4
213.12770	4.1
213.16481	4.2
215.10596	2.4
215.14217	2.8
217.12236	3.1
219.11719	6.4
220.12465	3.3
221.13188	15.1
222.10510	4.3
222.13898	4.5
223.11186	6.2
223.14810	18.8
225.12801	5.6
225.16319	11.6
227.10681	4.6
227.14293	5.6
229.12065	3.0
231.13864	3.1
233.13174	3.5
235.14796	10.7
236.15584	6.6
237.12758	9.9
237.16402	10.0
239.14297	8.1
239.17966	5.3
245.15529	3.1
246.13948	3.1
247.14723	6.3
249.12953	3.6
249.16324	7.1
250.13705	2.8
251.14330	7.5
251.17888	13.1
252.46216	2.3
253.15854	5.9
255.13733	7.3
257.15396	8.7
261.16333	5.1
263.07141	3.9
265.16010	4.7
265.19534	6.5
267.17596	3.1
267.20941	4.4
269.15341	3.6
271.17065	5.0
273.18500	3.2
275.17987	9.6
277.15826	2.8
277.19321	2.5
279.17505	5.3
279.21024	3.0
283.16882	3.9
291.17468	5.5
291.20752	2.3
293.19012	15.0
295.17062	3.5
309.18536	4.7
311.20148	24.7
319.20639	5.6
321.07587	20.5
325.10684	5.4
336.09958	15.2
337.10562	3.2
337.21609	8.6
351.12253	42.4
352.12668	4.7
352.24084	2.8
353.10086	4.6
365.24747	13.8
367.11951	4.1
368.12479	3.9
387.26715	4.1
391.26352	22.4
392.26691	2.4
405.28012	20.2
407.29501	26.1
415.26239	19.0
433.27310	87.0
434.27594	10.3
448.70126	2.5
451.17398	9.0
451.28394	100.0
452.28763	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.0
53.75603	1.2
55.01868	1.4
55.05515	15.5
57.07082	1.4
67.05501	16.7
68.05853	2.2
69.03436	4.5
69.07056	7.4
71.05014	2.2
79.05511	10.1
81.07054	13.8
83.04982	19.4
83.05454	1.5
83.08630	1.6
91.05476	19.7
93.07044	25.3
95.05006	5.7
95.08611	39.2
97.06535	7.0
98.69041	1.1
103.05482	2.3
105.07022	33.0
107.08590	22.3
109.06515	7.0
109.10183	6.3
111.04431	8.9
111.08089	9.6
115.05445	3.0
117.07013	8.6
119.08578	32.9
119.54988	1.4
121.06496	6.4
121.10128	12.9
123.08065	21.5
123.11732	1.8
125.06032	1.5
125.09630	3.1
128.06215	6.0
129.07005	11.8
130.07851	4.1
130.67075	1.3
131.08574	19.5
133.06537	3.7
133.10121	18.1
135.08058	7.2
135.11691	4.5
137.06029	2.0
137.09656	4.2
139.07590	5.7
139.11285	1.1
141.06953	6.4
141.09102	2.4
142.07758	9.6
143.08577	18.5
144.09302	3.8
145.06531	3.0
145.10109	25.1
146.10519	1.9
147.08035	8.8
147.11691	12.9
149.09615	17.2
149.13260	1.8
151.07579	1.7
151.11218	3.4
153.07074	2.3
154.07838	1.8
155.08562	18.7
156.09352	6.4
157.06537	3.5
157.10123	22.2
158.10725	1.4
159.08092	9.3
159.11728	16.5
161.09639	9.6
161.13271	6.6
163.11266	4.0
165.07072	4.5
166.07843	2.1
167.08517	6.3
167.12070	1.4
168.09279	2.7
169.06514	1.5
169.10126	17.2
170.10820	2.5
171.08031	7.3
171.11694	16.1
172.08925	2.2
172.12314	1.6
173.09616	22.9
173.10939	1.9
173.13287	9.8
174.10277	2.9
174.13725	1.4
175.11180	8.4
175.14876	2.5
177.09187	1.5
177.12784	1.7
179.08577	7.1
180.09383	4.4
181.10095	12.3
182.10904	3.8
183.08141	4.7
183.11690	15.8
184.08899	1.4
184.12404	2.2
185.09656	7.0
185.13272	9.2
186.10339	1.7
187.11215	12.4
187.14862	4.2
187.95766	1.3
189.12759	9.2
191.08569	1.7
191.10796	2.4
192.09373	3.3
193.10139	8.0
194.10985	4.3
195.08170	2.1
195.11684	18.4
195.13280	1.3
196.08873	1.5
196.12439	1.3
197.09685	4.4
197.13234	9.9
198.10405	9.3
198.14005	1.6
199.11154	10.1
199.14857	5.7
201.12729	7.2
203.14304	2.0
205.10240	3.3
206.10928	5.0
207.11690	9.8
208.12498	4.4
209.09651	9.0
209.13237	16.5
210.10461	1.8
210.13869	2.7
211.11203	6.9
211.14815	8.4
213.12740	49.0
213.16304	2.8
214.13217	2.6
215.10780	1.9
215.14265	5.9
217.10252	2.9
218.10997	2.5
219.11708	8.4
220.12489	3.9
221.09686	1.6
221.13307	9.0
222.10413	2.6
222.13872	2.1
223.11221	7.7
223.14790	10.8
224.12012	2.2
225.12801	7.2
225.16403	2.9
227.14325	8.1
227.18030	2.1
229.15921	3.3
231.11699	2.7
232.12505	3.9
233.13196	6.2
234.14040	1.6
235.11224	3.4
235.14743	6.4
237.12781	8.1
237.16489	4.7
239.14302	19.5
239.17963	1.9
240.14835	2.2
241.12436	2.9
241.15852	6.1
243.11732	1.8
243.14011	1.8
245.13280	4.0
245.15495	3.0
246.14098	1.4
247.14894	5.2
247.17155	1.7
249.12840	1.6
249.16498	4.6
250.13573	1.6
250.16870	1.2
251.14473	4.6
251.17964	7.3
253.15892	5.0
254.16545	1.6
255.13913	1.7
255.17560	1.6
259.14590	1.9
259.17093	3.0
260.11948	1.6
260.15457	2.1
261.16440	4.9
263.14374	5.2
263.18195	2.1
265.15900	9.5
265.19373	7.2
266.16437	1.5
267.17557	4.4
269.18958	2.2
272.15768	1.6
273.16516	2.1
275.17896	8.1
276.18536	1.6
277.16006	5.0
277.19653	3.5
278.16876	2.7
279.17502	8.5
283.20697	1.7
291.17542	3.7
291.20810	1.9
293.15771	2.4
293.18958	16.2
293.22055	1.4
294.19791	2.4
295.17175	2.4
295.20731	4.1
297.18524	1.6
299.17972	2.0
301.19592	5.0
303.17548	1.5
303.21039	1.8
305.19138	2.1
305.22778	1.7
307.17175	1.5
307.20392	1.7
311.20029	2.7
312.21024	2.0
316.22168	1.7
317.19055	2.2
319.20538	7.4
321.07205	1.4
321.22260	1.8
323.23880	2.2
333.18536	1.7
351.12326	2.4
353.10349	1.6
357.22552	1.4
359.20047	2.6
387.27014	2.0
391.26511	2.9
397.25357	3.5
405.28024	3.5
407.26007	5.0
409.27155	2.8
415.26419	17.4
416.27139	1.5
433.27368	58.4
434.27698	6.5
451.28564	100.0
452.28812	12.4
464.78925	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.5
55.05512	20.3
56.12919	2.3
67.05507	27.2
69.03420	3.1
69.07073	10.8
79.05489	16.6
81.07066	33.6
83.04993	14.1
83.08608	5.7
85.02913	2.8
91.05480	17.7
93.07043	40.6
95.04979	10.9
95.08610	58.8
97.06537	6.3
98.22688	11.9
98.23372	5.5
100.79713	2.5
105.07040	41.6
107.04970	3.2
107.08601	34.5
109.06518	5.7
109.10153	23.9
111.04449	6.7
111.08087	8.9
113.06022	3.2
117.07033	13.5
117.07756	2.4
119.08582	54.5
121.06517	6.6
121.10149	27.2
123.08083	13.4
123.11713	8.1
125.09638	11.0
128.06206	3.2
129.07048	9.5
130.07791	3.2
131.08586	29.3
133.10143	28.9
135.08057	9.5
135.11703	13.5
137.09631	4.5
139.07535	5.8
141.06996	4.8
142.07782	5.9
143.08566	29.3
144.09370	3.5
145.06512	3.7
145.10129	42.3
147.08058	10.4
147.11705	25.4
149.09676	3.7
149.13271	5.5
151.11229	3.3
154.07758	3.2
155.08559	14.6
156.09386	8.0
157.10112	32.5
159.08109	10.3
159.11702	35.2
161.09647	11.5
161.13255	8.8
163.11264	3.2
163.14891	3.3
167.08597	7.1
168.09341	3.4
169.10132	26.1
170.10904	4.7
171.08060	4.4
171.11708	29.6
173.09634	16.0
173.13246	19.4
175.11198	9.4
175.14838	6.4
177.09119	4.4
181.10117	13.7
182.10826	4.0
183.11716	23.6
184.12360	2.8
185.09630	14.5
185.13239	15.1
187.11163	14.1
187.14850	8.5
189.12820	12.6
189.16411	3.0
193.10127	6.1
194.10846	6.4
195.08173	2.7
195.11647	21.1
196.12390	3.8
197.13248	21.6
198.13962	3.5
199.11133	5.3
199.14807	17.3
201.12805	14.5
201.16399	5.1
203.10638	3.5
203.14363	5.7
205.12152	7.0
205.19586	3.4
206.10980	2.9
207.11661	9.8
207.13524	2.8
208.12494	3.8
209.13277	15.6
210.14061	3.1
211.11118	3.6
211.14822	12.7
212.15425	3.7
213.12759	8.6
213.16423	10.7
215.14290	15.0
217.15895	5.9
219.11757	5.3
219.13850	7.4
220.12717	2.5
221.13297	9.6
223.11160	4.3
223.14865	10.7
224.15598	2.7
225.12775	7.3
225.16351	5.9
227.14330	7.4
229.15804	3.7
231.13921	3.3
233.13234	4.6
233.15375	13.2
235.11151	3.5
235.14720	4.6
237.12727	12.2
237.16394	7.7
239.14337	10.6
239.17886	3.3
245.13123	3.4
245.15457	5.9
247.14680	3.6
247.16997	3.9
249.16496	7.2
251.14462	4.2
251.17900	4.9
253.15846	6.0
255.17426	3.8
257.15344	5.6
263.14069	4.1
263.17993	4.7
264.18298	2.7
265.16022	5.5
265.19553	7.2
267.17584	4.6
275.17871	5.8
277.15912	3.7
277.19415	3.6
279.17560	4.6
281.18982	2.9
283.17484	3.0
291.17593	4.7
291.20938	3.5
293.19046	14.2
295.20578	4.2
307.20609	4.1
309.18777	3.2
309.22119	4.6
311.19998	13.3
319.20526	3.6
327.23196	3.3
333.22339	3.5
335.23776	3.1
387.26968	3.5
391.26343	14.9
405.27597	19.7
407.29373	5.1
415.25958	19.8
416.26367	3.4
433.26837	100.0
434.27463	9.9
436.11099	3.5
451.13614	20.4
451.27905	22.9
451.32257	29.9
452.14548	16.1
452.32828	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.5
55.05313	2.1
55.05513	22.1
57.03453	2.1
57.07082	3.7
65.03935	3.7
67.05505	36.5
68.05836	1.9
69.03431	3.8
69.07070	13.5
71.99329	2.2
77.78442	1.9
79.05486	20.6
81.07056	43.7
83.04971	10.3
83.08614	8.4
85.02895	5.6
85.06530	3.5
91.05479	28.4
92.05789	2.3
93.07045	43.0
95.04978	11.7
95.08603	76.2
95.36209	1.8
97.06530	10.4
97.10176	8.0
99.04480	2.0
105.07030	43.7
107.08589	52.4
109.06506	6.4
109.10146	34.9
111.04430	2.1
111.08070	10.9
115.05458	5.0
116.06217	2.1
117.07027	17.6
119.08575	54.5
121.06519	10.4
121.10147	31.3
123.08074	17.7
123.11731	15.4
125.06015	2.2
125.09621	16.2
128.06241	6.0
129.06972	10.5
131.08557	42.4
133.06468	3.1
133.10132	36.4
135.08069	11.3
135.11685	20.1
137.09636	4.3
137.13281	4.5
139.07495	3.5
141.09149	2.5
142.07784	7.8
143.08580	30.1
145.10118	56.1
146.10446	2.0
147.08014	13.7
147.11676	27.0
148.12080	2.0
148.73004	1.8
149.09654	7.5
149.13220	11.0
151.11230	4.9
153.05557	2.3
153.06920	2.5
155.08540	14.3
156.09361	6.4
157.10114	37.6
158.10953	2.1
159.08080	15.1
159.11674	45.3
161.09648	14.5
161.13237	16.8
163.07600	3.7
163.11182	7.1
163.14783	3.9
165.07114	2.6
165.12764	4.6
167.08574	6.9
168.09363	3.6
169.10150	23.1
170.10895	5.5
171.08043	4.2
171.11696	27.5
172.08644	2.5
173.09634	24.9
173.13243	29.5
174.10278	2.1
175.11189	10.5
175.14835	11.0
177.09088	6.9
177.12828	4.1
179.08473	4.2
181.10132	11.4
182.10847	4.1
183.11691	15.5
184.12395	2.4
185.09642	13.3
185.13240	19.2
187.11148	21.1
187.14778	13.9
189.12766	15.5
189.16383	6.1
191.10709	5.8
191.14400	2.9
193.10089	7.4
194.10892	3.4
195.11696	12.8
196.12346	2.7
197.09583	2.8
197.13240	14.8
199.11163	8.4
199.14754	18.7
201.12753	27.5
201.16388	11.1
203.14310	12.9
205.12273	6.7
205.15933	3.2
205.19508	4.6
207.11740	10.1
207.13501	2.1
209.09663	2.3
209.13313	17.1
211.11205	5.7
211.14792	12.6
213.12817	9.9
213.16333	16.5
215.14320	25.1
215.17984	4.9
217.15881	8.1
219.11856	3.9
219.13745	16.9
219.17378	3.1
221.09644	2.5
221.13237	7.4
221.15247	3.2
223.14813	13.4
224.11874	3.2
224.15363	2.8
225.12761	6.0
225.16382	8.4
227.14307	12.5
227.17892	4.2
229.15909	7.2
231.13777	4.9
231.17448	7.0
233.15309	23.8
233.18961	3.0
235.14761	8.5
235.16806	2.8
237.12746	8.8
237.16331	6.3
239.14206	10.9
239.17958	3.0
241.15901	5.9
243.17345	4.6
245.15414	6.9
247.14742	4.8
247.16971	4.9
249.12781	3.5
249.16284	3.6
251.14346	6.5
251.17906	6.8
253.15912	7.2
255.14012	3.2
255.17444	5.1
257.15378	4.1
257.19034	4.7
259.16962	2.6
261.16443	4.6
263.18036	3.9
264.14960	2.3
265.15842	4.2
265.19437	5.3
267.17386	9.0
267.21173	2.8
268.17856	2.4
269.19098	3.0
271.17007	2.6
273.18646	2.3
275.17831	4.9
277.15826	3.0
277.19556	3.5
279.17355	4.7
281.18954	2.9
283.20520	3.5
291.17801	2.4
291.20978	5.7
293.19016	14.9
293.22128	3.1
295.20523	5.4
307.20731	3.7
309.18872	2.6
309.22104	9.0
311.19965	5.8
311.23529	3.9
312.24109	2.1
319.20502	4.7
319.24036	2.6
323.23679	3.1
325.21414	3.7
327.23343	10.6
328.78430	2.3
335.23615	5.9
337.21494	2.6
337.25232	5.5
353.24792	3.4
355.26346	5.7
375.26529	2.9
377.24643	4.4
391.26230	12.8
397.45169	2.3
405.27664	9.2
405.32394	9.3
409.27255	3.9
415.26059	9.1
415.30170	8.2
423.32727	3.2
433.27090	41.8
433.31296	34.1
434.27621	7.2
434.32309	3.5
451.32581	100.0
452.32339	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3209
Annotation	Puliscabrin
Peak:m/z	Relative Intensity
51.02369	1.5
53.03945	4.1
55.01870	2.4
55.05512	24.6
55.05762	2.5
56.62474	1.4
57.03450	1.8
57.07077	5.8
65.03946	2.7
67.05506	40.3
69.03437	2.1
69.07072	21.3
71.04990	4.1
71.08643	1.7
77.03930	1.5
79.05494	35.2
81.03423	2.6
81.07060	69.8
82.07382	1.6
83.04990	21.5
83.08628	9.4
85.06556	2.4
86.01867	1.4
91.05481	38.0
93.07052	70.5
94.07376	2.8
95.04983	14.5
95.08611	100.0
96.08949	3.8
97.06535	12.6
97.10179	3.3
98.22622	2.2
99.04460	2.5
103.05488	2.7
104.06289	1.3
105.03423	2.0
105.04544	1.7
105.07031	71.6
107.04980	2.7
107.08597	73.7
109.06538	13.0
109.10159	35.1
110.10509	1.4
111.04440	9.9
111.08086	16.5
113.06008	2.3
115.05466	1.6
117.07029	18.8
119.08585	83.6
120.08858	1.8
121.06508	14.3
121.10150	52.3
122.10475	3.3
123.08070	21.3
123.11712	22.5
125.05943	1.7
125.09629	6.7
128.06242	5.1
129.06996	15.6
130.07799	2.3
131.08574	51.5
132.09395	1.5
133.06516	6.4
133.10132	62.7
134.10596	1.5
135.08063	24.0
135.11700	27.5
137.06023	3.8
137.09619	7.4
137.13278	3.8
137.35870	1.4
139.07555	4.6
141.07018	4.3
141.09116	2.9
142.07744	9.9
143.08569	42.9
144.09329	6.1
145.06459	4.4
145.10129	68.0
146.07303	2.9
146.10481	1.5
147.08049	24.9
147.11690	41.5
149.09627	14.6
149.13272	10.6
151.11211	4.3
153.06998	2.3
154.07713	2.5
155.08562	15.2
156.09338	8.2
157.06516	1.7
157.10129	37.5
158.07262	2.8
158.10773	4.1
159.08055	18.1
159.11699	58.6
160.08746	3.8
160.12230	3.0
161.09624	36.0
161.13272	22.2
163.11192	12.0
163.14857	6.1
165.07040	3.5
165.09108	1.3
167.08595	5.8
168.09331	4.2
169.10141	21.2
170.10936	6.6
171.08070	4.4
171.11694	35.6
172.08870	6.4
172.12343	2.4
173.09630	21.8
173.10979	2.1
173.13281	40.8
174.10297	2.6
174.13712	3.0
175.11198	27.0
175.14828	17.5
177.12807	7.9
177.16365	2.8
179.08574	3.6
179.14275	1.7
180.09209	2.0
181.10085	10.4
181.12260	1.3
182.10927	5.0
183.11708	24.5
184.12538	1.3
185.09618	10.7
185.13266	25.4
186.10359	5.7
186.13773	3.4
187.11208	18.4
187.14833	26.2
188.11763	3.3
189.12755	17.1
189.16399	10.6
190.13353	1.6
191.14310	14.5
192.09300	1.8
193.10120	5.3
194.10959	2.4
195.11703	15.6
195.13423	2.4
196.12434	4.3
197.09630	2.4
197.13252	18.6
197.17906	1.3
198.10429	3.7
198.13985	1.5
199.11154	10.0
199.14821	19.9
200.11989	2.1
200.15251	2.1
201.12746	32.0
201.16425	14.4
202.13124	2.5
203.14326	25.1
203.17995	2.5
205.10207	2.1
205.15913	5.7
206.10802	1.8
207.11760	5.7
208.12427	2.5
209.13292	16.3
210.14005	2.1
211.11232	4.2
211.14853	18.5
212.11812	1.8
212.15306	1.9
213.12776	17.2
213.16364	21.4
214.16881	1.6
215.14354	29.5
215.17860	10.3
216.14682	1.7
217.12460	1.6
217.15877	30.1
217.19324	2.7
218.16235	1.9
219.11812	2.2
219.13718	6.5
219.17369	6.6
221.13269	4.6
221.15375	4.4
222.13980	1.9
223.14836	10.1
225.12708	4.2
225.16423	8.4
227.14339	10.4
227.17934	5.9
229.15903	20.9
229.19424	1.8
231.13885	3.3
231.17429	28.6
232.17773	2.2
233.13243	3.1
233.15378	4.2
233.18997	5.6
234.13884	1.8
235.14764	4.5
235.16916	2.0
237.12752	3.0
237.16434	10.7
239.14340	5.8
239.17950	4.5
239.99870	1.5
241.15854	7.3
241.19539	2.6
243.17517	7.4
245.15442	6.3
245.19017	3.0
247.17062	3.8
249.12860	1.9
249.16386	4.3
250.17123	2.2
251.18024	7.9
253.16093	2.2
253.19463	3.1
255.14046	1.5
255.17441	3.8
257.19012	4.7
259.17035	2.3
259.20490	1.4
263.17987	3.7
265.15692	1.7
265.19547	4.3
267.17471	3.3
267.21069	3.1
269.18994	4.7
269.22534	1.4
271.16995	3.1
271.20557	2.1
275.17905	1.8
277.16183	1.8
277.19461	3.8
279.17630	1.8
279.21051	2.6
283.20621	3.0
283.24191	1.5
291.21146	2.9
292.21680	2.0
293.19360	2.2
293.22583	17.1
295.20505	4.4
295.24228	4.0
297.18625	1.6
297.22052	2.0
305.22595	2.0
307.20844	1.6
309.22064	6.5
311.20001	3.4
311.23618	27.8
312.23962	1.9
313.25317	3.2
319.20724	1.8
319.24316	3.8
323.23688	3.4
327.23077	1.6
331.20264	1.6
333.25928	2.7
334.26538	2.4
335.23639	4.0
337.25208	11.1
338.25653	1.7
351.12589	2.2
351.26743	3.1
373.25397	1.8
375.26831	2.2
377.28506	7.1
387.30527	1.9
391.26361	5.7
405.26971	2.7
405.31821	14.7
406.31894	1.8
409.27429	2.4
415.30270	17.3
433.31332	79.6
434.31589	9.3
451.32471	80.2
452.32693	10.3
473.20392	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.7
55.01865	6.9
55.05511	26.4
56.91971	2.4
57.07070	4.6
59.04993	3.0
59.59104	2.2
65.03933	4.7
67.05168	4.5
67.05507	48.8
69.03423	7.1
69.07067	34.8
70.51601	2.8
71.05010	3.8
79.05495	46.8
81.03376	3.3
81.07056	73.2
83.04978	19.9
83.08623	13.4
84.97135	2.5
85.06561	6.1
91.05477	55.2
93.07047	87.8
94.07365	3.3
95.04980	17.7
95.08607	90.1
97.06526	13.5
97.10170	4.2
105.03397	9.2
105.04541	3.3
105.07027	92.4
106.04267	2.5
107.04941	6.3
107.08594	94.4
109.06508	16.4
109.10151	45.9
111.04436	7.9
111.08085	13.5
114.35969	3.1
115.05482	7.2
117.07031	24.9
119.08581	100.0
120.08910	3.9
121.06504	20.8
121.10139	65.1
123.08064	34.8
123.11712	19.1
125.09657	6.1
128.06232	13.6
129.07016	21.1
130.07813	7.2
131.08578	53.1
133.06503	8.7
133.10135	71.7
135.08047	50.2
135.11684	30.2
135.34013	2.8
137.06015	4.6
137.09668	7.9
137.13245	3.8
139.07558	9.1
139.11221	2.8
141.06992	8.5
142.07770	17.7
143.08565	54.4
143.09654	3.9
144.09296	5.7
145.06480	8.1
145.10115	75.6
147.08035	30.3
147.11687	40.3
149.02307	2.6
149.09634	22.5
149.13258	12.2
151.11165	6.0
151.14749	3.4
153.06985	5.3
153.09099	9.5
153.25267	2.4
154.07748	4.2
155.08562	24.2
156.09361	13.0
157.06511	3.4
157.10130	51.9
158.07263	4.4
159.08052	28.4
159.11691	49.5
160.08876	4.5
160.12306	2.7
161.09616	39.5
161.13231	21.8
162.09862	2.5
163.11162	20.7
163.14838	7.8
165.07014	13.4
166.07820	6.2
167.08525	10.3
167.10707	6.1
168.09361	4.7
169.10118	30.2
170.10878	8.7
171.08054	14.5
171.11702	36.7
172.08821	11.5
172.12236	3.3
173.09618	43.8
173.13243	32.6
175.11224	28.6
175.14827	17.7
177.12740	9.8
177.16376	7.2
178.07773	6.0
179.08588	11.8
180.09322	12.3
181.10143	22.5
181.12216	8.6
182.10887	6.9
183.08083	9.0
183.11696	26.6
184.12325	4.2
185.09636	26.5
185.13234	36.4
186.10329	8.7
187.11191	28.7
187.14812	33.6
188.11871	3.3
189.09116	5.4
189.12740	18.2
189.16441	9.0
191.10696	4.8
191.14291	9.3
191.17932	3.6
193.10136	16.3
193.12125	3.5
194.10841	7.6
195.08109	3.6
195.11694	29.6
195.13640	6.2
196.12454	5.3
197.09634	9.4
197.13257	24.6
198.10455	6.2
199.07541	3.4
199.11235	13.1
199.14842	19.9
200.11916	3.5
201.12738	27.2
201.16396	19.7
203.10620	2.8
203.14365	12.0
205.10129	10.1
205.12227	4.2
205.15862	6.3
206.10838	4.9
207.11723	17.1
207.13393	3.1
208.12398	6.4
209.09651	8.9
209.13248	17.4
209.15269	6.4
210.10388	5.3
211.11159	16.1
211.14729	16.6
213.12720	44.9
213.16251	14.8
215.10721	3.4
215.14313	55.3
215.17975	7.4
217.10147	5.2
217.12206	2.9
217.15887	17.4
218.10887	4.4
219.11708	7.1
219.13853	8.2
219.17476	11.3
220.12448	5.4
221.13254	12.3
221.15279	4.8
223.11302	14.1
223.14893	13.7
224.08308	2.8
225.12729	9.7
225.16428	8.1
227.10635	7.4
227.14317	22.0
229.12425	5.1
229.15877	19.3
231.13890	7.3
231.17444	12.6
232.12479	4.2
233.13242	7.2
233.15343	3.4
233.18846	4.1
235.11201	4.7
235.14832	10.1
235.17006	5.8
237.12849	7.9
237.16379	7.4
239.10712	7.6
239.14314	10.3
241.12273	10.9
241.15771	19.6
243.13933	5.4
243.17433	4.8
245.13217	4.8
245.15364	3.7
245.19044	3.3
247.14809	7.8
247.17036	4.8
249.12778	7.7
249.16237	7.4
249.18529	3.0
251.14471	5.2
251.18045	6.1
253.12277	4.5
253.15895	8.9
253.19531	4.4
255.13882	4.2
255.17509	6.8
259.17078	3.5
261.13098	2.8
263.10312	3.1
263.14301	7.5
263.17963	3.5
265.12427	3.4
265.15875	7.6
265.19302	3.0
267.13846	3.8
267.17358	5.1
269.11899	4.5
275.14151	3.7
277.15787	7.1
277.19370	5.3
279.13647	4.0
281.15488	5.9
289.15906	3.1
291.13904	5.8
291.17557	5.5
291.20938	5.0
293.15396	9.1
295.17050	6.1
295.20236	4.2
307.16940	5.0
309.18494	7.8
309.21829	4.2
311.16504	3.4
311.20218	3.5
311.23608	6.4
313.18982	3.6
319.16946	7.3
319.20404	3.8
321.14731	3.0
323.20056	5.5
329.24725	3.9
335.23538	4.9
337.17996	11.8
337.25247	5.3
351.26688	6.0
377.28641	4.3
387.23138	11.4
387.30600	4.1
388.31165	3.1
389.20871	4.4
391.26120	9.6
397.21423	7.5
405.24069	15.7
405.31696	16.2
415.22498	20.5
415.29892	20.8
416.23236	3.2
423.25299	3.7
423.32693	3.6
433.23727	51.9
433.30969	64.4
434.23929	5.9
434.31378	6.1
451.24850	44.4
451.32013	76.2
452.25082	8.5
452.32361	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3208
Annotation	Puliscabrin
Peak:m/z	Relative Intensity
53.03955	6.4
55.05512	19.6
57.03451	2.8
57.07061	3.6
67.05502	22.8
69.07082	12.4
79.05501	13.2
81.07056	36.1
83.04984	14.8
83.08615	4.1
91.05483	24.4
93.07047	42.3
95.04972	7.7
95.08612	73.0
96.08874	2.8
97.06551	5.0
98.22983	18.0
105.07031	44.8
107.05009	2.9
107.08589	38.7
109.06506	7.9
109.10143	26.9
111.08102	12.2
117.07059	10.3
119.08578	47.5
121.06554	4.6
121.10154	39.1
123.08040	19.3
123.11738	14.4
125.09660	9.4
129.07019	5.7
131.08560	34.1
133.10129	36.8
135.08075	5.6
135.11676	24.5
137.09583	3.7
139.07587	4.2
139.11200	5.1
141.09138	8.3
142.07874	3.5
143.08533	17.9
144.09343	3.8
145.10121	43.1
145.11136	4.6
147.08081	6.9
147.11713	21.2
149.09656	4.3
149.13300	4.9
151.11217	6.7
155.08614	5.0
156.09354	6.6
157.10146	31.0
158.10954	4.4
159.11685	53.7
160.58128	2.9
161.09677	16.5
161.13297	19.7
163.11186	5.0
165.12827	4.0
169.10179	12.2
171.11694	28.7
172.12521	4.0
173.09636	5.6
173.13275	72.7
174.14003	3.7
175.11214	6.3
175.14883	5.5
177.12778	5.3
179.10713	7.6
181.10187	4.3
183.11722	15.0
185.13309	20.1
186.14018	4.7
187.11186	6.4
187.14825	17.6
189.12776	11.3
189.16556	4.2
191.14403	4.9
195.11815	7.2
197.13275	14.2
199.11154	4.1
199.14911	10.8
201.12769	9.6
201.16391	9.9
207.13914	3.4
209.13289	8.9
211.14905	11.2
213.12946	3.6
213.16476	10.5
214.17189	5.9
215.14413	4.8
215.18086	3.4
217.15930	4.9
221.13284	4.5
223.14818	8.7
224.15633	4.8
225.16397	12.0
227.14459	3.6
227.18021	9.5
228.18848	3.3
237.16411	6.3
239.14392	3.7
239.18007	7.4
241.15933	5.3
243.17542	6.5
245.18991	16.1
251.18076	5.4
253.19617	8.6
255.17558	8.2
257.19043	10.5
269.19046	6.1
271.20593	8.9
273.22253	5.3
283.20892	5.7
293.22726	9.3
295.20804	5.9
299.20279	10.1
309.22095	4.3
310.22849	6.5
311.23672	54.9
312.24304	4.0
313.21671	28.2
325.21628	5.2
327.23355	6.3
337.25204	5.8
345.91232	2.9
365.24680	5.0
405.31735	16.0
406.31680	3.1
415.30200	6.7
433.30997	56.6
434.31757	4.5
451.32126	100.0
452.32782	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3207
Annotation	Puliscabrin
Peak:m/z	Relative Intensity
53.03948	3.3
55.01890	2.1
55.05510	16.2
57.03441	2.8
57.07092	3.3
58.23572	1.5
65.03957	4.3
67.05504	32.7
67.05833	2.3
68.33693	1.5
69.03449	2.5
69.07071	17.2
69.13271	9.1
69.13686	4.3
71.05006	3.6
73.93935	1.3
79.05489	19.8
81.03419	1.7
81.07058	45.8
81.07506	2.9
83.04993	9.8
83.08598	7.0
85.02925	3.0
85.06568	3.1
86.87235	1.6
91.05475	22.4
91.05990	1.5
93.07040	37.2
95.04970	12.0
95.08605	67.5
97.06534	9.7
97.10194	6.0
99.04521	1.8
103.05492	2.2
105.07027	49.8
106.07458	1.4
107.05004	2.3
107.08596	51.8
109.06516	8.9
109.10155	33.7
111.04476	4.2
111.08060	9.1
113.06014	1.9
115.05505	2.6
117.07022	15.0
119.08577	50.6
121.06487	8.5
121.10139	35.9
122.10547	2.4
123.08076	21.4
123.08913	1.6
123.11716	15.5
123.12428	1.4
125.09619	17.6
127.03946	1.7
127.07627	1.5
128.06264	4.1
129.07059	6.1
130.07840	3.3
131.08565	38.1
131.09477	2.2
133.06471	1.9
133.10126	32.8
133.11028	1.8
135.04410	1.7
135.08118	5.8
135.11708	15.9
135.12489	1.3
136.12015	1.7
137.05997	1.8
137.09686	5.6
137.13301	3.0
139.07599	3.2
139.11200	1.7
141.07051	5.4
142.07829	4.9
143.08574	23.3
144.04958	1.4
144.09372	4.9
145.06566	3.6
145.10120	53.2
146.10495	1.7
147.08037	9.9
147.11688	23.1
149.09583	9.7
149.12308	1.6
149.13252	7.7
151.11250	3.2
153.07010	1.7
154.07794	1.7
155.08568	14.6
156.09402	5.4
157.10136	33.3
157.11386	1.8
158.10983	2.0
159.08026	11.5
159.11694	37.1
159.12968	2.2
160.08734	1.6
161.09637	14.0
161.13246	18.9
163.07692	1.6
163.11217	7.4
163.14886	2.6
165.07089	3.4
165.09248	2.2
165.12851	2.1
167.08640	5.9
167.10797	1.9
168.09389	1.5
169.10129	15.9
170.10861	3.0
171.08098	3.5
171.11688	23.5
171.13037	1.6
173.09619	16.9
173.13258	26.0
173.14594	2.0
175.11224	7.7
175.14822	12.5
175.16110	1.3
177.09184	4.6
177.12808	4.0
177.16467	2.3
179.08601	2.7
179.10732	3.3
181.10092	9.1
182.10904	2.6
183.08183	3.6
183.11687	13.6
184.12599	1.9
185.09599	9.9
185.13254	17.1
186.10506	1.6
187.11182	15.3
187.14815	15.0
189.12767	8.5
189.16457	6.7
191.10776	4.3
191.14476	2.1
191.17998	2.8
193.10207	5.2
193.12181	3.0
194.10965	2.8
195.08160	2.3
195.11826	10.4
195.13660	1.8
196.12553	1.9
197.09665	3.4
197.13216	15.6
199.11111	7.3
199.14816	20.5
201.12723	20.1
201.14348	1.6
201.14848	1.7
201.16338	8.2
203.10886	2.2
203.14378	7.5
203.18066	2.1
205.10464	2.4
205.12216	7.4
205.15887	2.2
205.19507	1.9
206.10988	2.6
207.11827	7.6
207.13782	2.9
209.09752	2.4
209.13293	10.3
210.13994	1.9
210.45157	1.6
211.11325	5.7
211.14801	10.5
212.11920	1.6
213.09288	1.9
213.12746	11.3
213.16365	10.2
215.10921	2.2
215.14317	19.8
215.18030	4.1
217.12268	1.7
217.15900	10.1
219.11844	4.0
219.13962	9.4
220.12546	2.1
221.09840	2.3
221.13361	7.3
221.15414	3.7
223.11351	2.8
223.14821	8.1
224.15395	1.6
225.12929	4.3
225.16388	6.8
227.14311	10.4
227.18102	4.3
229.12372	2.3
229.15877	7.7
231.14015	4.2
231.17577	5.1
232.12563	2.2
233.13327	1.9
233.15320	18.9
235.14932	4.5
235.17091	3.5
237.12886	3.4
237.16429	7.3
239.14539	4.3
239.18059	2.3
241.16080	6.3
241.19470	2.4
243.17473	3.9
245.15442	3.7
246.14034	1.7
247.14868	3.4
247.17142	4.4
249.12958	2.2
249.16411	3.5
251.14465	3.2
251.18146	5.5
253.15985	4.5
253.19676	4.3
255.17621	4.0
257.15591	2.8
263.17914	2.5
265.15961	4.5
265.19376	2.5
267.17615	5.5
269.15802	1.7
269.19162	5.0
271.17133	3.1
275.14474	2.4
277.15878	1.5
277.19537	2.9
279.17633	1.9
279.21005	2.0
281.18945	3.0
283.17218	2.6
283.20657	1.7
291.17813	2.6
291.21301	3.8
293.15735	1.7
293.19205	3.7
295.17245	1.8
295.20773	4.2
299.20419	2.4
307.20779	5.6
309.21973	8.1
311.20081	1.9
321.18735	1.8
321.22412	1.7
323.20261	2.1
323.23544	3.7
325.21820	4.3
327.23227	11.7
335.24002	4.8
337.25421	3.3
353.25116	6.0
355.26553	3.1
375.26764	1.8
377.24612	2.3
391.26492	4.4
405.31601	10.9
409.27429	2.6
415.30032	12.6
416.30389	1.9
423.32733	7.9
433.24567	4.0
433.31174	57.6
433.36966	2.9
434.31656	5.1
451.32388	100.0
452.26379	2.1
452.32449	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74093	2.8
53.03950	4.0
55.05505	15.1
56.46237	3.0
57.07068	8.1
64.84532	3.6
67.05502	38.5
69.03436	3.1
69.07054	14.4
69.46935	16.2
73.96543	3.4
78.96086	4.1
79.05497	19.5
81.07056	41.5
83.04989	11.1
83.08612	6.8
91.05466	19.5
93.07043	45.7
95.04945	9.9
95.08051	5.9
95.08611	78.9
95.09221	4.4
97.06517	6.3
97.10152	3.5
99.19248	3.7
105.07032	53.4
107.08585	55.3
109.06515	5.2
109.10156	33.6
111.04448	6.2
111.08070	15.4
117.07026	10.6
119.08575	57.8
121.06515	6.2
121.10157	36.4
123.08091	19.9
123.11696	17.3
125.09653	4.4
129.06982	14.3
131.08554	40.1
133.10110	47.5
135.08014	7.0
135.11693	29.5
137.09586	7.6
139.07542	7.0
139.11208	7.6
141.09119	4.7
143.08559	20.4
144.09314	4.4
145.10126	40.7
147.08012	6.3
147.11674	28.8
149.13272	5.7
151.11174	11.2
155.08553	9.1
156.09363	5.9
157.10146	25.7
158.10869	7.9
159.11703	63.9
160.12051	4.3
161.09659	20.3
161.13232	23.3
163.11180	6.2
165.12746	4.0
167.08594	4.8
169.10156	12.4
170.10890	4.5
171.11719	25.4
172.12323	4.7
173.13264	86.5
174.13712	6.7
175.11205	5.9
175.14827	10.0
177.12730	4.9
179.10713	5.3
181.10126	5.7
183.11716	10.9
185.13242	24.4
187.11177	9.2
187.14801	11.9
189.12761	12.3
191.14346	4.6
195.11667	8.6
196.12526	4.5
197.13211	20.3
199.11302	4.9
199.14835	11.9
201.16393	7.0
203.14253	4.1
207.11746	4.8
207.13800	6.4
209.13142	10.2
210.21291	3.6
211.14847	4.6
213.16283	7.1
221.13199	8.1
223.14827	15.3
224.15642	3.5
225.16368	13.7
227.17879	5.7
237.16357	5.9
239.17926	8.4
243.17537	4.5
245.18944	15.4
253.19508	10.7
255.17412	8.0
257.18954	10.2
269.19089	5.0
271.20557	8.4
283.20593	3.7
293.22583	7.7
299.20279	5.6
301.21786	4.2
307.31833	3.7
309.22141	4.7
310.22775	5.5
311.20160	5.9
311.23621	50.1
312.23846	6.7
313.21509	23.2
325.21564	5.0
327.23270	5.7
337.25195	6.4
367.91797	4.1
405.31857	16.2
415.30090	8.9
433.31155	47.6
434.31268	5.1
438.23010	3.9
451.32059	100.0
452.32440	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3207
Annotation	Puliscabrin
Peak:m/z	Relative Intensity
53.03948	3.0
55.05513	23.4
57.07087	3.7
57.81875	1.5
65.03935	4.5
67.05507	28.2
69.03452	1.9
69.07068	15.0
71.05006	2.7
71.30755	2.8
73.87184	1.6
79.05495	24.1
80.26690	1.7
81.07057	49.5
81.07520	3.3
83.04984	15.0
83.08647	7.0
85.02915	4.6
85.06558	4.1
91.05476	22.2
93.07042	39.3
95.04983	12.5
95.08605	62.9
96.08984	1.9
97.06548	9.1
97.10190	5.8
99.08125	2.6
105.03370	1.9
105.07027	42.4
107.04971	3.0
107.08594	45.6
107.09265	3.1
109.06506	8.4
109.10156	37.5
109.10902	2.0
111.08086	5.6
113.06126	1.9
115.05471	3.2
117.07003	15.2
119.08578	55.8
121.06542	7.7
121.10139	33.7
122.10503	2.1
123.08064	23.7
123.08894	1.9
123.11690	9.8
125.09624	15.7
127.07555	2.6
128.06262	4.2
129.07005	9.5
130.07816	4.6
131.08553	38.8
131.09462	2.2
133.06503	2.4
133.10130	39.2
133.11057	2.7
135.08044	9.4
135.11714	16.0
137.09630	4.7
137.13306	5.5
141.07059	3.2
142.07799	5.5
143.08557	28.1
144.09367	3.4
145.06535	4.8
145.10117	53.3
145.11224	3.2
147.08063	11.0
147.11688	29.5
149.09663	9.8
149.13310	6.7
151.11209	5.7
153.09142	2.2
155.08560	11.8
156.09340	5.3
157.10123	33.7
157.11424	2.0
158.10899	5.4
159.08066	14.4
159.11688	38.7
159.12938	2.4
160.12079	2.3
161.09650	12.0
161.13272	18.4
163.11105	9.1
163.14877	3.6
165.07162	2.3
165.09138	2.3
165.12817	2.1
167.08592	3.5
167.10629	2.3
169.10138	15.9
170.10905	2.6
171.08128	4.1
171.11679	24.8
173.09602	19.0
173.13260	27.8
174.13638	2.5
175.11166	10.7
175.14841	8.8
177.09171	6.0
177.12842	3.4
177.16518	3.3
179.08595	3.3
179.10782	2.0
181.10138	8.2
181.12387	1.9
182.10982	2.3
183.11678	17.0
184.12425	2.5
185.09621	10.0
185.13263	15.7
185.14584	1.7
187.11183	19.1
187.14867	15.3
189.09108	2.2
189.12703	11.3
189.16457	6.6
191.10732	2.8
191.14392	2.6
191.17995	3.0
193.10228	4.8
193.12616	2.2
195.11722	8.7
195.13506	1.9
196.12402	1.9
197.09647	3.0
197.13295	16.1
198.10367	3.1
199.11101	8.8
199.14813	22.7
201.12749	23.1
201.16385	9.9
203.10713	2.1
203.14403	7.8
203.18024	2.5
205.10332	3.7
205.12340	6.9
205.15686	2.3
205.19597	3.6
206.11031	2.2
207.11829	4.9
208.12480	2.2
209.13234	9.8
211.11325	4.9
211.14760	8.6
213.12839	6.7
213.16386	13.7
215.14302	27.8
215.17979	3.8
217.15880	8.1
219.11870	3.3
219.13887	16.2
219.17422	2.8
221.13306	5.1
221.15337	4.2
223.14903	8.0
225.12813	4.5
225.16487	8.0
227.14389	8.4
227.18076	4.2
229.15828	10.5
231.17545	4.7
233.13249	2.4
233.15334	20.5
233.19133	2.1
235.14864	3.8
235.17020	4.0
237.12791	2.5
237.16457	5.3
239.14409	4.3
239.18016	4.6
241.15996	6.6
243.17464	2.3
243.86028	2.1
245.15511	6.1
245.19148	4.2
247.14845	3.0
247.17117	4.9
249.16460	3.9
251.14543	4.4
251.18076	3.3
253.16107	4.2
253.19341	2.7
255.17569	2.2
257.19174	3.7
259.17065	5.1
263.17975	4.4
265.15988	5.1
265.19421	2.4
267.17599	6.2
267.21085	4.0
269.19196	4.4
271.16937	4.2
271.20740	2.7
279.17780	2.3
281.19202	3.0
283.17096	2.2
283.20563	2.2
291.21179	5.7
293.19116	3.2
293.22614	3.1
295.20798	2.8
307.20825	5.0
309.22159	8.5
309.55234	2.0
321.07721	2.7
323.23853	4.7
325.21667	4.9
327.23135	14.7
335.19925	2.4
335.23816	4.2
336.09970	2.5
337.25183	3.8
339.23218	2.2
341.24872	2.7
351.12570	5.4
353.24963	5.5
355.26462	3.9
391.26407	5.5
397.28860	2.8
405.31448	10.9
409.27563	3.1
415.30124	14.3
423.32526	9.0
433.31171	56.5
434.31573	5.7
451.32303	100.0
452.32510	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3207
Annotation	Puliscabrin
Peak:m/z	Relative Intensity
53.03948	3.6
55.01880	2.4
55.05513	21.4
57.03454	2.3
57.07088	4.5
59.04995	1.5
59.76680	1.3
65.03957	2.9
67.05507	40.1
69.03448	4.2
69.07071	18.7
71.05025	4.8
74.16972	1.4
79.05491	27.6
79.05889	2.2
81.07063	60.7
83.04986	13.2
83.08626	8.1
85.02922	4.1
85.06541	3.2
91.05478	33.1
93.07047	55.6
95.04980	13.3
95.08611	82.6
96.08979	2.9
97.06523	13.8
97.07065	1.5
97.10165	8.5
99.04502	3.5
99.08174	1.7
105.07029	59.0
106.07412	2.2
107.04980	1.9
107.08595	61.4
109.06530	11.0
109.10162	41.6
109.10891	2.3
111.04495	2.4
111.08094	8.1
113.05982	1.6
115.05445	3.8
117.07039	19.4
119.06152	1.7
119.08587	66.5
120.08914	1.5
121.06527	9.9
121.10145	45.8
122.10505	1.7
123.08067	25.9
123.11725	17.1
125.09634	20.3
125.10381	1.6
128.06306	5.2
129.07010	15.1
130.07863	3.3
131.08577	50.7
132.08925	2.1
133.06544	3.6
133.10139	48.5
135.08052	11.6
135.11691	22.2
137.06064	4.6
137.09650	4.3
137.13341	4.5
139.07588	2.4
141.06087	1.4
141.06912	6.8
141.09160	1.8
142.07744	7.8
143.08577	35.7
144.09396	5.5
145.06552	3.5
145.10129	62.9
146.07338	1.9
146.10661	1.5
147.08055	13.3
147.09013	1.4
147.11696	32.1
149.09595	9.2
149.13234	9.5
151.11148	3.0
153.07137	1.5
153.09224	1.7
154.07851	1.8
155.08545	18.6
156.09349	7.8
157.10132	38.3
158.10901	5.6
159.08087	20.1
159.11703	57.5
160.12175	1.6
161.09584	14.6
161.13258	21.7
163.07648	3.2
163.11179	8.3
163.14940	5.9
165.09187	2.7
165.12874	2.2
166.07835	1.5
167.08690	5.7
167.10788	2.3
168.09380	2.3
169.10149	19.9
170.10942	4.7
171.08197	2.9
171.11687	35.1
172.08939	2.6
172.12247	3.0
173.09628	24.3
173.13261	42.6
175.11224	12.7
175.14828	11.1
177.09189	5.1
177.12807	3.6
177.16493	4.3
179.08633	4.2
179.10820	2.6
179.14415	1.8
180.09319	1.7
181.08875	1.7
181.10236	8.9
181.11946	1.5
182.11028	3.9
183.11685	17.0
184.12445	2.1
185.09650	12.1
185.13232	20.0
186.13928	2.8
187.11192	16.3
187.14833	21.8
187.16330	1.6
189.12759	12.2
189.16348	9.2
191.10797	5.5
191.14388	2.7
191.17990	2.3
192.09535	2.3
193.10284	6.1
193.12335	1.7
194.10939	3.9
194.72345	1.4
195.11745	10.6
195.13612	1.7
196.12537	5.0
197.09718	3.8
197.13277	17.9
198.13872	1.9
199.11227	10.2
199.14819	21.8
199.16422	1.8
201.12740	25.4
201.14839	1.9
201.16321	8.2
203.14337	10.0
203.18134	4.0
205.10382	2.8
205.12184	10.4
205.19650	4.6
206.10938	3.2
207.11797	7.7
209.13274	14.0
209.14949	1.5
210.13951	2.0
211.11342	4.6
211.14828	14.7
213.12883	8.6
213.16383	13.7
215.14323	27.8
215.18121	5.1
216.14713	1.9
217.15811	13.3
219.11848	3.3
219.13725	11.5
219.17555	2.9
221.13318	6.0
221.15506	4.1
223.11380	2.9
223.14880	8.2
225.12935	5.1
225.16335	7.9
227.14343	12.5
227.18065	5.3
229.12314	3.0
229.15848	12.0
229.19550	1.9
231.13997	5.3
231.17581	6.3
233.13312	3.0
233.15375	28.3
233.19035	2.4
234.15924	2.1
235.14922	4.9
235.17119	4.0
237.12839	3.1
237.16582	6.2
239.14453	5.8
239.18135	4.0
241.12587	2.1
241.15842	7.7
241.19659	2.3
243.13884	2.1
243.17635	4.2
245.15495	3.9
247.14885	3.0
247.17175	5.5
249.16626	4.7
251.14516	4.1
251.18034	7.0
252.18517	2.0
253.15858	7.4
253.19662	3.4
255.17642	5.5
255.21257	1.8
257.15543	4.3
257.19135	4.4
259.17105	2.2
263.14490	1.7
263.18124	3.5
265.16022	4.7
265.19717	5.0
267.17630	8.9
267.21234	2.4
269.19119	4.6
271.17065	4.0
275.18069	3.4
277.16260	1.8
277.19479	3.0
279.17651	3.4
279.21494	2.0
280.76135	1.7
281.19180	4.6
283.17007	2.8
283.20868	2.3
285.18701	4.0
287.20206	2.4
289.19598	2.3
291.21332	4.3
292.21613	1.5
293.19214	8.9
293.22577	3.1
295.17303	2.6
295.20779	6.1
297.22357	1.5
299.20355	2.3
305.18985	1.9
307.20779	6.0
309.22131	10.1
311.20178	3.9
311.23798	3.3
313.21829	3.0
316.15918	1.4
319.24280	2.5
323.23935	2.8
325.21829	4.7
327.23224	12.8
335.20392	1.9
335.23984	3.9
337.25546	5.2
353.24783	7.1
355.26703	4.7
367.26788	2.0
373.25519	2.8
377.25070	2.2
387.30780	3.6
391.26306	7.4
397.29376	1.8
405.31927	11.3
406.32407	2.0
409.27548	3.2
415.30127	16.2
416.30649	2.2
423.32855	6.7
433.31369	68.5
434.31714	8.3
451.32422	100.0
452.32932	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	13.3
57.07075	3.0
65.03967	3.0
67.05506	29.4
69.07066	12.4
69.57996	7.3
71.05014	1.9
78.32573	1.7
79.05494	13.8
81.07053	34.6
81.58523	1.7
83.04996	11.5
83.08634	7.7
85.06585	1.9
86.51382	1.7
89.06059	4.3
91.05485	25.8
93.07047	49.0
93.07610	3.0
95.04984	5.4
95.08611	76.8
96.08947	2.0
97.06545	6.2
97.10194	6.2
98.22664	2.5
98.23207	3.7
105.07028	42.5
105.07657	3.1
107.08593	47.0
107.09278	2.5
108.08910	1.9
109.06556	6.7
109.10151	34.2
109.10804	2.5
111.04503	5.3
111.08075	11.8
113.06027	4.0
117.07050	8.0
119.08572	55.4
121.06549	4.3
121.10143	38.5
123.08069	21.4
123.08813	2.0
123.11710	15.4
125.06048	2.5
125.09665	8.2
128.06239	2.1
129.07021	4.2
130.07820	1.9
130.24748	2.2
131.08568	33.9
133.10132	47.2
133.11044	2.8
134.10551	2.8
135.08107	7.9
135.11703	29.1
137.09631	4.8
137.13333	1.7
139.07590	6.5
139.11205	5.2
141.06987	2.9
141.09135	6.0
142.07823	4.2
143.08554	19.1
144.09366	6.5
145.10129	33.2
147.08051	8.8
147.11690	29.4
149.09683	6.0
149.13339	7.7
151.11201	8.5
153.12764	2.5
155.08630	6.0
156.09380	5.2
157.10141	27.6
158.11008	5.3
159.08138	3.7
159.11693	59.5
159.12970	3.3
160.12320	3.9
161.09595	20.1
161.13274	20.6
161.14409	2.0
163.11256	7.4
163.14864	2.5
165.12868	6.6
169.10146	12.5
170.10898	4.3
171.11697	33.5
172.12491	3.3
173.09761	3.1
173.13257	83.9
174.13890	4.4
175.11256	7.7
175.14828	8.5
177.12814	4.1
179.08733	2.1
179.10791	6.9
181.10152	2.7
182.11009	3.4
183.11674	14.4
184.12358	3.0
185.09746	2.0
185.13252	20.6
186.14050	2.8
187.11180	8.8
187.14836	19.1
189.12704	12.0
191.10727	2.0
191.14368	2.4
195.11800	7.2
196.12529	3.7
197.13232	8.9
198.13733	2.8
199.14795	13.2
201.12831	4.9
201.16354	9.9
203.14462	2.7
207.11880	4.1
207.13904	5.4
209.13240	9.4
211.11299	2.3
211.14725	10.8
213.12839	3.5
213.16510	7.7
214.17154	3.5
215.14383	3.7
215.18002	4.4
221.13380	3.3
223.14908	6.6
224.15518	2.6
225.16461	8.8
227.14497	2.4
227.17929	8.6
229.16013	2.6
231.17581	2.5
237.16479	6.4
239.14580	2.7
239.18053	6.9
241.15999	5.3
241.19316	2.3
243.17484	3.3
245.18994	22.9
249.16486	2.2
251.18021	4.3
253.19553	10.1
255.17561	5.7
255.21271	2.7
257.18860	9.5
263.18097	2.0
265.19638	4.0
267.21121	3.1
269.19299	2.4
271.20642	11.9
273.22339	5.8
279.21118	2.5
281.19144	3.9
283.20728	6.9
293.19775	1.9
293.22495	8.4
295.20691	5.8
297.22076	3.4
299.20270	5.8
301.21692	4.1
307.20929	2.9
309.22253	3.5
310.22699	2.2
311.23685	53.2
312.24283	4.7
313.21655	24.6
313.25095	3.6
314.22104	2.2
327.23218	3.3
335.23923	2.6
337.25540	5.8
351.26709	2.9
352.27689	2.0
405.31647	21.2
406.32278	2.5
415.30505	8.3
433.31128	58.1
433.36923	3.7
434.31668	7.2
451.32272	100.0
452.32495	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3209
Annotation	Puliscabrin
Peak:m/z	Relative Intensity
50.62936	1.6
55.05508	11.4
57.07076	4.0
67.05501	20.3
69.03433	3.0
69.07066	16.2
69.15319	1.6
70.52061	1.6
70.52376	3.1
71.04993	2.6
79.05499	17.1
81.07060	36.5
83.04987	3.9
83.08630	6.1
85.06548	2.5
89.06033	2.4
91.05480	18.9
93.07043	33.3
95.04965	6.3
95.08605	50.0
97.06533	7.2
105.07036	35.0
107.08594	46.6
109.06527	9.3
109.10155	23.8
111.04457	5.9
111.08096	6.5
117.07037	9.5
119.08575	45.0
120.08916	2.7
121.06544	6.9
121.10139	39.6
123.08076	10.9
123.11704	14.7
125.09651	6.7
128.06229	2.6
129.06993	7.8
131.08559	21.3
133.06485	2.2
133.08624	2.1
133.10133	31.4
133.11066	3.2
135.08072	8.1
135.11674	20.3
137.05989	6.3
137.09627	2.8
137.13278	1.9
139.07590	3.6
141.78952	1.7
142.07822	5.0
143.08545	21.2
145.10126	35.3
147.08063	6.7
147.11685	21.5
149.09618	12.3
149.13272	9.8
151.11179	2.1
155.08582	6.8
156.09370	4.3
157.10141	22.4
158.10947	3.5
159.08081	4.5
159.11681	32.6
161.09622	13.9
161.13216	12.9
163.11192	15.7
163.14839	4.5
167.08545	3.0
167.10645	2.6
168.09338	2.7
169.10109	10.9
170.10770	3.1
171.11679	18.4
172.12256	2.1
173.09659	6.7
173.13272	25.6
175.11169	10.8
175.14859	10.1
177.09238	2.8
177.12801	4.2
179.10689	2.9
181.10184	4.9
182.10814	2.3
183.11681	13.0
184.12413	2.8
185.09634	3.6
185.13219	18.8
187.11192	5.1
187.14839	15.8
189.12825	7.9
189.16405	4.2
191.14378	3.5
193.10228	2.4
193.12222	1.9
195.11792	6.3
197.13272	13.2
198.14064	2.5
199.11281	4.8
199.14824	17.1
201.12811	8.2
201.16376	9.4
203.14243	9.0
203.18051	1.9
205.12247	3.9
205.15939	3.7
207.11975	2.1
209.13342	7.3
211.14745	8.3
213.12793	6.6
213.16336	11.4
215.14398	10.0
215.17943	2.8
217.12259	5.2
217.15834	11.6
219.13867	4.9
219.17534	5.9
223.14847	5.0
225.12762	3.3
225.16492	3.6
226.17046	2.4
227.14357	5.0
227.18019	6.6
229.15926	8.0
231.13828	3.8
231.17542	7.7
233.13290	3.3
233.15298	15.7
235.14787	2.6
235.17020	3.0
237.16402	5.4
239.14633	3.3
239.17880	2.0
241.15945	4.3
241.19604	2.3
243.17548	6.1
245.15576	2.9
247.17021	3.4
249.16515	3.1
251.18060	5.1
253.15900	3.8
255.17557	5.2
257.18988	4.0
263.17880	2.2
265.15839	2.0
267.17773	2.8
269.19202	2.3
271.17010	3.7
271.20792	2.3
273.18610	3.1
283.20605	2.2
287.20261	2.1
291.21188	3.2
293.22580	2.8
295.17188	2.2
295.20517	6.0
297.22125	2.4
299.20010	2.9
307.20746	3.2
309.22165	6.6
311.23767	3.4
319.24017	2.2
321.22104	2.2
323.23740	2.4
325.21735	3.8
327.23175	7.0
335.23856	2.7
337.25385	7.8
349.25433	1.9
355.26270	31.1
356.26752	4.4
387.30664	2.2
405.31665	10.3
415.30203	9.9
423.32834	5.3
433.31085	58.0
434.31421	3.3
451.32181	100.0
452.32361	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
51.38687	0.8
53.03942	2.5
55.01868	1.6
55.05506	1.9
56.48273	0.7
56.91323	0.7
57.03442	0.7
58.77007	0.8
59.05012	0.9
60.78344	0.7
67.05498	3.5
69.03435	3.7
69.07067	3.2
70.52590	1.3
70.52928	1.2
71.04989	11.2
73.02908	1.6
79.05493	21.0
81.03423	4.9
81.07056	99.7
82.07400	2.5
83.04974	7.3
85.02908	12.5
87.00835	2.7
87.61366	0.8
88.91917	0.7
89.06010	1.2
91.05493	2.9
92.16335	0.8
93.07051	2.9
95.04958	3.2
95.08630	3.1
97.02907	3.4
97.06535	1.3
99.04465	1.3
105.01871	3.5
105.07041	3.5
107.04966	1.5
107.08594	8.2
109.02889	4.2
109.06550	1.1
109.10148	5.0
119.04938	2.1
120.05290	0.9
123.04432	9.5
123.11699	8.6
124.03929	0.9
125.02302	1.6
127.03904	6.3
131.04935	1.1
133.10138	2.9
135.04427	0.9
137.05975	5.3
137.32178	0.8
139.03920	1.8
139.11230	2.2
143.03442	1.1
145.04984	3.1
145.06499	1.1
146.06801	1.0
147.04431	6.5
148.04787	2.3
149.05966	1.0
151.03912	6.0
151.05003	1.2
151.07567	1.9
151.11169	14.3
152.04350	0.9
155.07013	1.8
157.12247	1.7
159.02931	2.0
161.13301	1.3
163.03958	1.3
163.07510	1.0
165.05446	1.2
169.12238	100.0
170.12569	2.9
177.05489	1.4
181.04947	2.1
187.13275	9.6
191.03305	1.6
193.04921	0.7
201.16257	0.8
219.17525	1.0
225.07527	0.7
227.09200	1.2
231.04956	1.8
271.06250	0.9
273.06763	1.3
301.10727	3.6
303.08728	5.8
307.11462	1.1
320.04999	0.9
426.80069	0.8
452.19907	4.6
453.16736	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36957	7.6
64.78064	5.7
83.08619	7.0
87.74954	6.3
91.05521	10.3
98.22635	17.3
100.11263	15.3
107.04977	9.8
108.31899	6.8
115.15657	6.9
119.04912	6.9
119.20034	7.3
123.04439	36.3
137.02336	15.7
137.05986	51.5
138.00360	6.4
142.44936	7.6
147.04466	10.9
151.07574	35.6
153.11581	5.9
161.05936	20.1
163.03947	8.9
165.05421	11.8
173.13069	7.0
177.05472	24.2
178.05020	14.4
182.15504	7.8
189.09203	8.0
191.03429	21.6
206.04459	36.1
209.16415	6.9
227.10744	11.5
228.77017	6.9
287.12860	19.6
289.15155	6.3
290.14444	8.4
301.07187	9.2
313.14352	13.7
331.15457	17.9
358.46323	6.7
392.10297	7.8
405.18979	20.8
452.19748	25.0
453.19318	100.0
453.34091	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16204	0.6
55.05511	0.9
56.61351	0.7
57.98794	1.3
58.99588	20.5
66.96075	0.6
67.05494	1.5
69.03432	1.1
69.72639	3.6
73.02891	1.5
76.02230	31.5
81.07053	2.2
85.02911	1.4
86.99058	9.8
91.05478	1.1
92.37720	0.6
93.07047	2.0
95.08597	1.9
97.02885	1.5
97.06573	1.3
97.10134	1.0
98.23370	0.6
105.00097	15.1
105.07037	0.9
109.10152	0.9
119.08522	0.7
121.10162	1.5
122.02728	100.0
123.03040	1.0
123.04416	1.4
123.08105	0.8
123.11797	0.9
131.08485	0.9
135.11682	0.7
137.05989	0.8
143.08586	0.8
145.10083	1.3
147.11685	1.2
147.61865	0.7
151.07574	1.1
157.10150	1.1
171.11728	1.3
173.13263	1.1
177.09161	0.7
183.11752	0.7
184.07234	0.8
189.09106	0.9
190.96245	0.6
197.13300	1.0
203.10777	0.8
211.14670	0.8
217.12309	4.8
227.18057	0.7
229.12271	0.9
267.21075	7.6
269.18906	1.3
279.14310	0.7
295.20526	5.1
296.21027	0.8
303.17947	0.8
308.02841	1.9
309.03574	3.5
313.21487	4.1
444.17630	0.8
453.08060	7.4
453.20779	4.4
453.34750	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	26.5
57.07079	17.0
67.05501	36.9
69.07059	24.1
69.83266	39.3
79.05486	16.1
81.07059	37.1
83.08635	13.6
88.29196	11.6
90.25014	13.7
91.05503	14.0
93.07036	23.1
95.08575	27.2
98.98464	28.8
105.07055	18.5
109.10159	22.9
119.08574	21.9
121.10062	16.1
123.11704	12.4
133.10181	15.3
134.46924	13.8
137.05978	33.9
151.51207	12.2
155.01038	12.3
159.11595	17.4
175.11290	21.7
202.20039	12.2
207.13811	24.9
245.22607	13.5
263.23672	22.7
278.73309	12.4
337.27347	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
55.05507	9.5
57.03427	9.5
61.02917	8.5
67.05504	22.1
69.03434	29.9
69.07052	6.1
69.99151	11.3
71.04999	4.3
72.63590	3.2
76.53687	3.1
79.05475	11.8
81.03403	9.9
81.07055	36.1
83.04974	7.8
83.08595	8.1
85.02907	100.0
86.03241	3.5
91.03954	6.5
91.05484	14.1
93.07047	23.1
95.04969	17.7
95.08597	40.6
97.02902	32.7
97.06532	14.9
98.06861	4.5
98.64139	3.4
99.04453	4.6
100.11249	24.3
105.07026	38.2
107.08604	7.9
109.02871	10.3
109.06545	5.0
109.10155	14.9
111.04433	9.0
111.08012	3.6
119.08601	22.4
121.10130	6.4
123.04430	19.2
123.11659	3.9
127.03912	33.7
129.05424	4.0
131.08572	9.2
133.10126	27.6
135.04437	6.6
135.11682	11.3
137.09560	4.3
145.04958	45.0
145.10126	15.5
147.11676	7.7
149.13219	9.8
155.06961	4.7
159.11699	17.0
160.05023	4.5
161.05948	11.9
161.13252	83.7
162.06335	5.7
163.03999	7.7
163.06003	12.6
163.14821	6.9
164.04230	3.7
167.07071	12.0
167.08537	5.4
168.08923	4.9
173.13242	5.7
174.06726	5.9
175.07422	5.3
179.14330	63.4
179.15935	4.3
182.15448	9.9
183.06543	4.0
189.09119	13.6
189.16389	13.2
190.09494	16.2
191.03372	7.5
191.18002	9.1
195.08099	4.5
195.40337	3.3
196.08430	7.0
201.16386	34.2
203.07118	3.9
203.17996	4.2
203.58777	3.4
203.75554	3.2
207.17421	13.3
209.16516	6.8
210.14922	8.4
213.09114	11.4
214.09419	16.7
216.07503	6.9
219.17432	90.9
220.17731	7.6
231.10045	5.0
232.10449	6.9
237.18489	71.0
238.18839	3.8
242.08815	3.7
255.19691	3.5
259.09726	23.3
260.10019	44.2
261.10077	3.8
278.11032	10.0
326.28036	3.3
363.21188	5.6
381.22827	15.7
435.33273	10.3
452.15674	9.2
453.21176	44.5
453.34378	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89407	1.7
55.01871	2.3
55.05516	4.1
57.03424	5.5
59.04998	1.7
61.02902	1.7
65.05727	2.1
67.05509	9.9
68.05853	2.3
69.03426	5.7
69.07050	4.5
71.04987	9.2
71.15523	2.7
79.05495	7.9
81.03409	4.0
81.07066	24.8
83.04966	4.8
85.02909	27.4
86.03220	1.5
86.77312	1.5
91.05484	11.5
92.05816	2.7
93.07055	9.3
95.04977	8.4
95.08610	13.7
95.71310	1.8
96.05310	3.0
97.02882	11.1
97.06528	11.6
98.06852	3.6
99.04449	1.9
105.07030	19.5
107.04948	2.9
107.08588	9.3
107.37096	1.8
109.02872	2.6
109.06541	2.9
109.10142	7.9
111.04423	2.9
111.08061	2.0
117.07010	3.6
119.04938	3.6
119.08549	13.7
120.05263	2.2
121.10130	8.0
123.04431	4.5
123.11709	2.1
125.02367	4.7
125.09624	3.2
126.02671	2.0
127.03910	7.2
127.11150	2.8
131.08543	4.4
133.10164	8.6
135.11740	4.3
136.18787	1.6
137.05980	3.3
137.09657	4.3
138.05486	2.3
139.03918	3.4
143.03439	2.3
143.10634	2.9
145.04948	5.7
145.10141	10.3
147.04428	19.6
147.11681	4.4
148.04759	12.2
149.13228	3.9
151.07613	2.0
151.11172	4.6
155.07053	2.9
159.11711	9.5
161.05988	3.2
161.13258	30.9
162.06305	2.9
162.13637	2.4
163.03908	8.2
163.14839	6.2
164.04262	3.7
169.12199	11.6
173.02396	1.9
177.05331	1.9
179.14301	9.1
181.04962	2.4
181.08540	2.6
189.09081	7.2
189.16434	2.9
190.09512	8.6
191.17900	5.5
196.08391	3.0
201.05164	2.3
201.16393	20.2
207.17455	2.4
213.09091	2.1
214.09410	4.2
215.07071	5.5
216.07285	5.4
219.17421	37.3
220.17862	3.5
232.10425	1.9
237.18481	26.9
249.80202	1.9
255.15863	2.3
255.19543	2.9
259.09659	7.6
260.10031	15.6
272.19409	1.9
278.11197	3.1
284.62143	1.8
288.05923	3.3
307.11484	4.7
361.74963	2.0
381.22604	2.3
452.10590	2.5
452.16687	7.2
453.16360	100.0
453.21793	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	10.3
57.71328	8.5
67.05519	14.4
69.03433	14.0
70.95895	16.3
81.07065	17.4
83.05048	14.7
85.02926	17.9
91.05480	16.7
93.07069	12.5
95.04989	9.3
95.08627	11.8
101.19695	7.4
105.07063	29.8
107.05013	8.1
107.08618	16.3
109.02921	8.8
112.30458	8.3
119.08574	12.1
121.06449	9.9
121.10187	11.2
123.04420	59.3
133.10107	13.0
135.04420	14.1
137.02347	29.8
138.05472	42.7
139.03914	16.1
145.10112	14.7
147.04430	22.3
151.11163	46.9
159.11728	11.9
161.13261	10.3
163.03986	24.2
164.07059	11.5
189.09193	12.2
190.09399	9.1
191.03323	45.1
191.07056	16.5
192.07381	21.6
213.09103	9.2
214.09538	11.6
219.17415	54.2
237.18532	64.1
260.87494	7.9
301.07043	25.1
313.07135	16.7
366.48471	9.0
452.20117	62.4
453.21176	100.0
468.72940	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	5.2
67.05510	8.0
69.03431	7.9
69.51945	22.4
71.04992	10.5
79.05507	6.9
81.07068	14.7
82.95724	4.7
83.04988	6.6
85.02908	12.1
91.05472	9.9
93.07070	14.0
95.04970	10.6
95.08624	11.6
97.06548	6.2
98.22614	6.0
105.07020	24.7
107.08588	24.4
109.10166	12.7
111.04469	7.0
111.08072	6.8
119.08616	11.0
121.06598	5.8
121.10167	4.9
123.04444	19.2
125.09593	7.5
127.03944	8.2
127.11221	4.6
131.08621	7.5
133.10133	23.1
134.33653	5.0
135.08064	6.3
135.11716	7.6
137.06001	5.0
139.03958	5.5
143.10692	9.4
145.10141	15.6
147.04422	7.8
147.11671	10.5
151.11186	74.8
157.53334	5.3
159.11699	13.8
161.13300	10.2
163.03893	6.0
167.07079	6.2
172.08461	6.5
173.13301	6.2
175.07460	6.7
181.04938	7.3
191.06978	7.0
192.07381	7.6
201.16310	11.7
213.09215	6.4
214.09402	8.9
216.07225	5.0
218.08989	5.8
219.17490	56.0
227.11594	4.1
230.08939	5.6
237.18498	100.0
238.18858	8.0
255.15704	5.7
259.09579	7.2
260.10120	12.6
394.21219	4.6
433.87814	4.5
452.16092	8.8
453.21204	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56431	1.0
55.01855	1.9
59.44097	1.0
61.02920	1.8
61.91355	1.1
68.99785	1.9
69.03421	3.3
71.19717	2.5
81.03402	2.3
85.02900	10.6
93.72461	1.0
95.04955	1.6
97.02869	4.3
99.04433	1.3
111.04410	1.4
116.26794	1.2
119.04906	4.1
123.04420	55.3
127.03942	3.5
135.04393	2.2
138.62151	1.3
139.03894	100.0
140.04239	2.3
140.23940	1.0
145.04941	1.8
147.04405	15.8
151.03859	2.9
161.05942	3.3
163.03893	6.5
165.05476	17.2
169.04890	1.8
170.34509	1.2
170.51785	1.2
179.07004	2.2
181.04980	2.3
205.04929	2.6
207.06538	5.2
235.05916	1.3
247.06062	1.1
273.07382	2.3
291.08606	24.7
292.08911	1.3
301.09293	1.9
315.08862	1.2
337.01553	1.1
449.45920	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1391
Annotation	Catechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.20836	1.0
52.12489	0.9
55.01868	1.9
57.03429	1.4
61.02926	1.8
65.03944	1.4
65.35652	0.9
68.99776	1.3
69.03416	2.9
73.02915	0.9
81.03410	2.5
83.04986	1.5
84.37634	1.1
85.02905	12.3
91.05467	1.3
93.03381	1.0
93.55857	1.0
95.04964	1.4
95.13292	1.0
97.02886	4.5
109.02847	1.4
111.04435	1.7
119.04947	4.3
123.04436	54.4
124.04748	1.4
127.03908	3.0
139.03905	100.0
140.04210	1.9
145.04965	1.7
147.04411	16.6
151.03917	4.1
161.05992	4.4
163.03905	6.9
165.05486	15.8
177.05464	1.8
179.07030	2.2
181.04880	1.7
189.05463	1.3
191.85387	1.1
205.05098	1.2
207.06535	3.0
209.01347	1.0
243.52548	1.0
264.63092	1.0
273.07809	2.0
291.08615	21.6
292.08990	1.3
301.09262	1.8
389.54453	1.2
453.04260	1.1
453.10153	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
56.96564	1.7
57.03435	1.0
61.02930	1.2
67.05518	0.9
67.64867	0.7
68.56558	0.8
68.99792	1.4
69.03429	2.4
69.23781	6.0
79.05515	0.8
81.03412	2.2
85.02921	6.0
91.05514	1.3
93.03413	1.6
95.04973	2.5
97.02892	2.8
107.04947	2.2
111.04456	2.9
113.37157	0.8
113.98055	0.9
119.04957	4.7
119.28766	0.8
123.04438	59.9
124.04774	1.6
127.03947	2.2
131.04976	1.0
135.04437	4.1
135.30171	0.8
137.02354	0.9
139.03905	100.0
140.04262	2.4
143.04893	1.1
144.08105	0.9
145.02834	1.3
145.04977	2.5
147.04416	17.3
151.03923	4.6
153.05515	1.5
161.05977	4.8
163.03900	11.0
164.04227	1.2
165.05499	17.4
169.04968	2.2
175.03828	2.1
177.05493	1.1
179.07088	1.9
181.04994	2.2
189.05470	1.5
191.03410	1.2
197.01233	1.1
203.03415	0.9
205.04968	3.4
207.06587	5.0
223.59795	0.8
237.00842	1.3
255.01874	1.0
257.04590	1.2
273.07681	2.7
283.02805	1.1
283.05908	1.0
289.07031	1.0
291.08609	23.9
292.09070	1.4
301.03525	0.8
301.09451	0.8
313.07022	0.9
327.01828	1.2
345.02789	1.4
363.04047	1.4
407.11060	0.9
429.07062	1.4
435.11301	0.9
453.08176	1.1
453.13644	4.6
453.20926	7.6
465.27423	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.139
Annotation	Catechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01884	1.1
55.38811	0.8
57.03434	1.3
57.37344	1.1
61.02921	1.6
69.03429	3.9
70.58629	1.4
70.58948	1.4
80.94548	1.0
81.03408	2.3
85.02902	9.8
91.05508	1.3
95.04974	1.6
97.02929	1.9
101.51712	1.1
111.04417	1.5
119.04943	4.5
123.04430	57.8
124.04771	2.2
127.03907	2.8
139.03900	100.0
140.04224	2.5
143.04939	1.6
145.05020	2.7
147.04402	16.8
151.03899	3.8
161.05948	3.6
163.03918	4.0
165.05478	15.8
181.04971	2.0
205.04984	2.2
207.06598	4.3
217.04893	1.0
223.99077	1.1
273.07675	1.9
277.25162	1.0
291.08633	22.2
292.08780	1.5
294.34442	1.1
301.09128	1.1
308.96280	1.5
397.31290	1.1
446.19312	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1388
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03931	0.9
53.20766	0.8
55.01866	1.9
56.96563	1.6
57.03433	1.1
61.02924	2.6
65.03944	0.8
67.05498	1.3
68.99797	1.3
69.03420	6.4
70.57116	2.2
73.02901	1.4
77.02309	0.8
81.03416	3.0
83.04983	1.1
85.02907	18.3
91.05472	1.6
93.03398	1.7
95.04984	2.2
97.02892	5.8
101.33280	0.9
101.72922	0.8
105.62747	0.8
107.04961	1.4
109.02869	2.6
111.04442	3.1
119.04912	5.4
123.04426	65.6
124.04765	2.2
127.03918	4.1
133.06514	0.9
135.04410	5.4
137.05940	1.0
139.03896	100.0
140.04256	3.1
143.00165	1.3
145.04936	2.0
147.04408	18.5
149.05878	1.0
151.03906	7.1
153.05443	1.1
161.05995	3.6
163.03912	18.7
165.05489	17.4
166.05797	1.3
169.04950	1.3
175.03879	1.5
177.05486	2.4
179.07033	1.5
181.04956	3.4
186.23997	0.8
189.05464	2.1
191.03429	0.9
193.04979	1.2
205.04991	6.1
207.06499	3.8
213.05370	1.2
222.28088	0.8
231.06586	1.5
235.06039	1.1
235.71416	1.0
237.00581	1.1
247.06055	3.0
249.07555	0.9
255.01781	3.7
265.07196	1.5
271.06143	1.1
273.02798	3.7
273.07468	4.1
277.28680	0.8
283.08221	1.4
285.07309	1.2
291.08670	12.6
301.09460	1.5
303.08582	1.2
312.97675	0.9
315.08655	1.7
357.09818	1.2
381.09824	1.0
393.05115	1.7
411.05765	1.1
453.13739	9.0
453.19702	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.139
Annotation	Catechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01873	2.6
56.96570	1.7
61.02921	2.7
68.99771	1.5
69.03429	6.1
69.16532	7.7
70.01836	1.0
75.69627	1.0
80.99160	1.1
81.03400	3.0
85.02902	19.5
93.03385	1.1
95.04984	1.3
97.02897	6.2
102.00338	1.0
102.01102	0.9
103.80883	0.9
109.02824	1.4
111.04452	2.4
116.01821	1.0
119.04943	3.6
123.04429	52.9
124.04699	1.3
127.03910	3.8
128.52205	1.0
128.70313	1.1
135.04376	1.1
139.03899	100.0
140.04204	2.8
145.04951	4.4
147.04420	15.8
151.03857	4.8
153.05559	1.2
161.05995	2.9
163.03912	7.3
165.05473	14.3
169.04869	1.0
177.05399	1.6
181.04980	3.8
189.05493	1.2
205.04932	4.6
207.06555	3.2
235.05916	1.7
247.05922	1.5
251.85062	1.0
255.01802	2.1
265.06903	1.5
273.07523	5.0
290.72052	1.2
291.08636	20.7
292.08716	1.4
301.09152	2.8
301.58078	1.0
350.08594	1.1
416.68460	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.2
55.05510	9.8
57.03436	2.8
58.06590	2.6
62.34144	1.9
67.05513	3.4
69.03427	5.9
69.99699	8.7
72.04534	2.3
79.05524	2.4
81.03401	4.3
81.07050	7.1
83.04972	2.7
83.08612	8.3
85.02904	5.1
85.06538	2.7
87.52146	1.9
89.03921	12.0
91.05476	4.1
92.75954	2.1
93.07040	4.5
95.08605	5.7
97.02881	3.5
98.09672	4.0
100.11271	25.9
105.07047	3.1
107.08592	3.3
109.06496	3.2
111.04424	6.1
117.03399	26.3
119.08579	4.2
123.04477	3.6
127.03941	3.2
129.07056	2.6
133.10136	2.7
135.11681	2.0
137.06042	2.7
140.07014	2.3
140.10728	3.6
142.12234	5.8
145.02853	56.8
145.04945	2.2
147.04443	3.7
149.05960	8.5
154.12227	3.1
168.10225	2.3
170.11734	2.7
170.54874	2.1
177.05470	100.0
178.05873	2.4
182.15366	11.6
195.06517	3.5
209.16512	8.7
210.14882	10.0
228.15887	2.7
248.90172	2.0
261.11276	2.1
284.23254	3.2
291.15671	5.7
311.65506	2.0
321.09473	2.6
333.93277	2.0
336.22668	3.1
339.10522	2.4
363.44281	2.0
368.03354	2.0
396.28622	3.0
409.21838	3.7
411.06964	2.2
432.55911	2.1
435.33224	8.6
453.21176	34.3
453.34341	26.8
454.26105	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.2
55.05510	9.8
57.03436	2.8
58.06590	2.6
62.34144	1.9
67.05513	3.4
69.03427	5.9
69.99699	8.7
72.04534	2.3
79.05524	2.4
81.03401	4.3
81.07050	7.1
83.04972	2.7
83.08612	8.3
85.02904	5.1
85.06538	2.7
87.52146	1.9
89.03921	12.0
91.05476	4.1
92.75954	2.1
93.07040	4.5
95.08605	5.7
97.02881	3.5
98.09672	4.0
100.11271	25.9
105.07047	3.1
107.08592	3.3
109.06496	3.2
111.04424	6.1
117.03399	26.3
119.08579	4.2
123.04477	3.6
127.03941	3.2
129.07056	2.6
133.10136	2.7
135.11681	2.0
137.06042	2.7
140.07014	2.3
140.10728	3.6
142.12234	5.8
145.02853	56.8
145.04945	2.2
147.04443	3.7
149.05960	8.5
154.12227	3.1
168.10225	2.3
170.11734	2.7
170.54874	2.1
177.05470	100.0
178.05873	2.4
182.15366	11.6
195.06517	3.5
209.16512	8.7
210.14882	10.0
228.15887	2.7
248.90172	2.0
261.11276	2.1
284.23254	3.2
291.15671	5.7
311.65506	2.0
321.09473	2.6
333.93277	2.0
336.22668	3.1
339.10522	2.4
363.44281	2.0
368.03354	2.0
396.28622	3.0
409.21838	3.7
411.06964	2.2
432.55911	2.1
435.33224	8.6
453.21176	34.3
453.34341	26.8
454.26105	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15606	0.4
55.01868	0.6
55.33687	0.4
57.18703	0.4
65.03940	0.5
67.05495	0.6
69.03426	0.5
71.04981	0.4
71.30047	0.6
73.02895	0.4
74.44288	0.4
79.05470	1.3
80.66315	0.4
81.03394	0.8
81.07060	2.2
82.07368	0.5
85.02900	0.6
91.05456	1.8
92.33488	0.4
95.04954	1.6
97.02870	0.7
98.36772	0.4
103.05455	0.9
106.19644	0.5
107.04914	1.7
109.02880	2.1
119.04938	3.2
120.05183	0.4
123.04420	12.9
127.03863	0.6
131.04886	1.9
135.04431	2.2
136.05153	1.4
137.05966	9.0
139.03934	2.7
140.04652	1.3
147.04391	3.2
149.05959	1.4
151.02715	0.5
151.03905	8.9
151.07549	5.5
153.05406	0.7
155.07007	1.5
158.90575	0.5
160.65411	0.4
161.05923	1.0
163.03882	1.4
163.07533	1.7
165.05534	2.4
167.06955	0.6
169.04950	1.1
169.12187	1.0
170.12537	1.3
173.05983	0.7
177.05467	3.1
179.06985	0.9
181.04971	2.1
191.03337	0.6
193.04958	2.7
207.06447	1.2
209.07947	0.6
212.79730	0.5
215.07014	0.7
227.09102	1.0
271.77338	0.4
273.07443	0.5
285.07425	1.8
291.15680	1.2
301.07202	0.9
301.10657	12.2
302.11014	0.7
303.08624	19.4
303.12082	1.0
307.11530	2.6
317.06348	0.6
413.24051	0.6
453.17087	100.0
454.11627	0.7
454.17456	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.5
55.05482	1.6
57.19762	0.5
58.77741	0.5
59.83974	0.4
69.00799	1.1
69.01201	3.8
71.16187	0.4
79.05481	0.8
81.07028	1.2
83.01061	0.9
83.04950	0.7
83.08617	1.0
85.02875	0.7
91.05469	1.3
93.06990	0.6
95.01080	2.6
96.01839	0.6
97.06474	0.8
98.23379	1.0
100.07603	0.6
100.11253	5.7
105.07007	1.0
107.08562	0.6
107.84538	0.5
109.06498	1.0
111.04370	1.4
112.01305	1.1
113.02125	3.4
117.06985	0.8
119.04934	0.7
119.08526	0.7
123.04447	3.2
129.06909	0.5
135.07851	0.6
137.05949	1.2
138.06094	0.5
139.03851	1.1
143.08453	0.6
145.10020	0.7
147.04369	1.2
151.03894	2.7
151.07532	0.8
153.05383	0.9
155.08566	2.7
157.04700	1.1
159.08044	0.7
161.05882	0.5
165.05400	0.8
167.03197	0.6
169.04758	0.6
173.09554	2.0
176.04352	1.2
177.05467	0.6
182.15331	1.9
184.07303	0.7
185.04222	4.1
201.03571	0.8
201.05142	1.5
203.05116	1.5
209.16495	0.6
210.14798	1.9
211.11145	0.6
216.07570	16.1
217.08031	1.7
219.06209	1.4
243.08292	0.7
259.07513	2.6
265.10657	0.6
267.23322	0.5
273.14575	0.7
273.86365	0.5
276.72668	0.6
285.07230	0.5
291.12512	0.9
291.15646	8.2
303.08667	4.2
326.27780	0.6
336.22424	0.5
382.12180	0.9
389.80862	0.8
390.31534	0.6
422.15195	1.1
423.16092	1.2
435.21628	1.1
435.33234	0.8
453.16980	100.0
453.33884	3.7
454.17303	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	0.4
71.27966	0.4
71.74313	0.3
73.50529	0.3
77.44790	0.3
78.55118	0.3
82.82613	0.3
89.03931	0.4
91.05470	1.2
91.48417	0.3
101.00883	0.4
105.03371	0.3
105.07029	0.8
111.04446	0.3
115.03956	1.8
115.05458	2.3
117.03403	0.4
117.05765	0.9
119.01922	0.3
119.04949	1.9
123.04463	1.7
131.01985	0.3
132.08084	4.0
133.02806	2.2
133.06483	0.7
135.04424	0.7
139.03893	0.9
142.06531	0.7
143.07381	0.5
147.04420	5.6
148.04712	0.8
151.03920	0.7
159.06808	0.4
160.07579	100.0
161.07922	3.9
163.03894	2.3
169.03409	0.4
177.05464	0.6
177.10231	11.8
177.30551	0.3
179.03352	2.5
185.02994	0.4
223.04396	0.5
237.00534	0.6
237.02539	1.1
247.04494	0.5
255.01727	0.6
273.07843	0.4
275.06204	0.4
279.07095	0.6
291.03455	0.4
291.13104	0.4
312.31772	0.3
313.90173	0.3
340.43265	0.3
393.06387	1.0
434.10757	0.3
453.13904	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.05509	76.0
56.05841	0.9
59.05006	1.0
66.06162	0.3
67.05503	0.7
69.07062	0.9
69.55502	1.6
69.55904	0.7
75.04472	3.7
79.05481	0.5
81.07047	1.0
82.46910	0.3
83.04977	100.0
84.05310	1.6
91.05475	0.9
93.07040	0.9
95.05028	0.4
95.08590	1.5
97.06496	0.4
98.23406	0.7
105.07043	1.1
107.08601	1.1
109.06486	0.4
109.10147	0.9
111.08104	0.3
115.05401	0.4
119.08575	1.3
121.10126	0.3
123.08091	0.8
123.11680	0.6
133.10103	0.9
135.11653	0.5
137.09583	0.4
143.08517	0.4
145.10144	0.4
151.11143	0.9
157.10149	0.5
159.11661	0.4
161.09641	0.4
165.06932	0.3
167.06935	0.4
169.10059	0.6
173.13232	0.7
179.08556	0.6
183.11601	0.3
185.13312	0.4
187.11140	0.4
195.07979	1.2
197.13174	0.3
202.07719	0.4
203.08525	0.6
205.06357	0.5
205.10242	0.4
207.07968	0.4
209.09628	0.5
213.05411	0.4
219.08171	0.7
220.08781	0.6
221.09555	1.9
223.07486	1.2
223.11082	0.4
223.14725	0.4
225.05392	0.6
225.09003	0.5
226.06212	0.5
233.09492	0.4
235.07477	0.9
235.11136	0.6
236.11958	0.6
237.05402	0.6
237.09045	0.9
238.06125	0.7
239.07025	2.1
247.07407	0.4
248.08286	0.7
249.05432	0.6
249.08998	1.7
250.06186	0.6
250.09886	0.6
251.07054	0.7
251.10472	0.3
252.04073	0.6
252.07697	1.1
253.04874	0.6
253.08527	1.2
261.09039	0.4
263.07092	2.5
263.10602	1.1
264.07648	1.3
264.11249	0.6
265.05072	2.1
265.08499	2.7
266.03033	0.4
266.05746	6.6
266.08664	0.7
267.06390	1.3
267.10138	0.4
267.13635	0.5
275.06720	0.4
276.07764	0.8
277.08389	1.3
278.06039	0.4
278.09198	1.8
279.06406	1.2
279.10040	3.3
280.07126	1.6
280.10526	0.5
281.04831	0.6
281.08002	5.8
281.11523	1.0
282.08633	1.6
283.06213	0.7
283.09564	2.0
289.08417	0.9
290.09296	0.9
291.06409	2.4
291.09973	1.6
292.07162	0.6
292.10727	0.5
293.07953	1.8
293.11316	0.7
294.05750	0.4
294.08731	2.1
295.06052	0.9
295.09537	2.6
295.13153	1.2
296.06546	0.5
297.07507	1.3
298.08170	0.9
301.06918	0.6
302.07764	1.1
305.07986	0.5
306.08841	3.7
307.09604	3.6
308.10233	1.1
309.07428	0.9
309.11032	1.0
310.08237	0.9
310.11716	0.5
311.09045	2.0
311.12683	0.9
312.09814	0.5
313.07043	0.5
313.10660	6.4
314.10779	0.5
315.08377	0.8
315.19827	0.4
321.11188	8.6
322.11703	1.7
323.09070	1.7
323.12650	2.7
324.09808	0.5
325.06857	1.5
325.10519	1.1
327.08618	0.4
329.06247	0.9
329.10025	0.5
338.11255	1.4
339.12317	3.1
340.12653	0.4
341.09970	0.7
341.13837	0.7
353.13794	10.5
354.14557	2.1
361.14221	0.4
369.13303	5.5
370.13522	0.6
371.14914	1.8
384.11673	1.0
417.27548	0.8
421.15991	0.4
423.17545	0.6
435.28729	1.1
453.19113	7.4
453.28772	0.5
454.19141	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42902	0.6
53.03941	3.0
55.05514	78.1
56.05855	1.4
59.04993	0.9
67.05509	0.9
69.07078	1.2
69.44615	4.1
75.04491	3.2
81.07047	1.0
83.04984	100.0
84.05321	2.0
91.05432	0.5
93.07056	0.9
95.08618	1.4
98.23162	1.8
107.08578	1.3
109.10094	0.6
119.08519	0.6
133.10126	1.0
151.11154	0.6
160.66589	0.6
165.07011	0.8
179.08603	0.7
183.08109	0.7
195.08049	1.0
200.92519	0.6
211.11388	0.6
221.09616	1.2
223.07457	1.1
235.11018	0.6
238.06137	1.6
239.06898	1.6
243.06438	0.7
249.08952	1.3
250.06174	0.7
250.09830	0.9
251.07024	0.8
251.10982	0.7
252.07964	1.0
253.04854	1.1
253.08598	1.3
253.12079	1.0
263.06973	3.0
263.10587	1.6
264.07828	1.1
265.04874	2.1
265.08652	2.9
265.11017	0.6
266.05701	6.2
267.06433	1.4
276.07895	1.1
277.08527	1.4
278.09186	0.7
279.06433	1.5
279.09998	3.2
280.07312	1.0
280.10367	1.0
281.07953	4.5
281.11322	1.2
282.08643	2.1
283.06036	0.7
283.09448	1.5
285.07431	0.7
290.09161	0.9
291.06396	1.5
291.10037	2.4
292.07245	0.7
292.10742	0.6
293.07944	1.9
294.08780	1.4
295.09476	1.7
295.12744	0.8
297.07404	2.1
298.08249	0.9
301.06805	1.3
302.07458	0.8
306.08798	3.7
307.09506	2.6
308.10263	1.1
309.10983	0.7
310.07901	0.8
311.08893	1.6
311.12500	1.3
313.07391	0.7
313.10712	6.2
314.10916	0.9
315.08505	1.1
321.07834	0.9
321.11224	8.6
322.11597	2.0
323.09152	1.4
323.12625	2.6
324.09763	0.8
325.06808	1.6
325.10410	1.0
329.06320	0.7
339.11993	2.3
341.13913	0.9
353.13828	10.5
354.14133	1.5
369.13354	5.4
371.14542	2.3
453.19061	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05469	1.8
58.03993	0.5
62.33080	0.5
67.05466	0.9
69.03390	0.9
69.07040	0.5
69.30495	2.3
69.30922	1.9
78.63690	0.5
79.05490	1.0
80.39597	0.5
81.03392	0.5
81.06998	2.0
85.02839	1.5
86.09671	1.4
91.05427	1.1
93.07033	1.2
95.04908	0.8
95.08549	1.9
97.02834	1.0
97.06499	1.1
99.04383	0.7
100.11228	3.0
102.77235	0.6
105.06998	1.3
106.00928	0.5
107.08554	1.2
109.10106	1.1
119.08569	0.9
123.04432	0.7
123.11651	0.6
127.03873	0.8
131.08540	0.8
133.10094	0.6
134.19049	0.5
135.11662	0.5
135.35957	0.5
145.10025	0.7
151.07494	0.7
157.10033	0.6
161.06000	0.7
163.03812	0.7
169.10086	0.5
173.13350	0.5
182.15382	1.6
184.07306	3.5
185.04129	0.9
194.71815	0.5
199.88660	0.5
209.16563	0.9
210.14856	1.6
256.16309	0.6
261.14713	0.8
273.14581	1.3
291.15649	100.0
292.16000	5.4
453.20978	58.1
453.27991	2.2
453.34518	1.9
454.21268	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
55.01873	10.7
55.05513	3.2
60.35121	1.6
65.03955	1.9
66.41531	1.4
67.05499	8.0
69.03432	11.2
69.56808	1.6
69.59368	8.6
78.74417	1.4
79.05476	11.1
81.07056	17.2
83.04972	2.2
91.05479	45.5
92.23586	1.4
93.07037	14.0
95.04977	6.3
95.08630	6.0
98.22641	2.1
103.05508	4.3
105.04519	2.3
105.07029	18.9
107.04974	6.5
107.08585	9.8
109.06525	5.4
109.10153	4.1
110.60380	1.6
111.04427	3.4
115.05485	5.5
116.06221	3.2
117.07008	18.6
119.04935	2.6
119.08580	41.0
121.06531	6.1
121.10168	4.5
123.04428	2.5
123.08124	2.9
127.93546	1.5
128.06212	8.3
129.06995	18.9
130.07808	4.5
131.04910	2.2
131.08566	25.5
132.05746	1.8
133.06509	5.6
133.10143	6.7
135.08070	7.2
137.09576	1.9
141.07001	9.0
142.07762	5.5
143.08540	15.6
144.05701	2.1
144.42270	1.6
145.06485	15.2
145.10109	16.5
147.08046	70.6
148.08395	3.4
149.09596	3.2
151.07602	2.3
153.06995	6.1
154.07771	4.3
155.08578	13.8
156.09235	2.1
157.06511	10.4
157.10139	8.6
158.07263	3.3
159.08061	26.8
159.11655	2.4
161.06001	3.3
161.09567	10.1
163.07564	2.2
164.05576	1.5
165.07057	8.7
165.09097	19.9
166.07779	7.0
166.09299	1.7
167.08600	8.8
168.09396	3.9
169.06564	3.8
169.10156	13.3
170.10909	2.7
171.08018	13.5
171.11716	7.3
173.09592	14.7
175.07564	7.7
175.11238	4.0
177.09129	7.1
178.07831	6.5
179.08551	11.2
180.09262	3.8
181.06517	6.9
181.10091	10.4
182.07404	2.5
182.10893	2.0
183.08131	8.3
183.11729	6.7
184.08789	2.5
185.09660	6.1
185.13309	3.8
187.07536	2.8
187.11182	2.6
189.09096	3.0
190.07790	2.4
191.08681	2.4
192.09338	4.7
193.08565	4.4
193.10172	14.1
194.10864	3.5
195.08083	9.6
195.11671	8.0
196.08836	8.2
197.06227	1.5
197.09628	16.9
197.13364	2.5
198.10365	2.7
199.11182	29.6
200.11642	2.2
201.09171	6.3
203.08609	2.4
204.09438	1.7
205.10229	3.7
206.07132	2.0
206.10912	2.3
207.11679	8.2
208.08858	2.9
209.09663	9.2
209.13341	2.9
210.10419	6.7
211.11180	28.1
212.11873	2.9
213.12775	6.8
215.10696	3.4
217.10114	4.5
217.12279	4.3
218.10815	2.4
219.08226	2.1
219.11746	4.8
220.08827	2.5
220.59303	1.7
221.09618	9.7
221.13295	2.4
222.10312	2.1
223.11177	13.3
224.08356	3.5
224.11852	2.4
225.09114	7.3
225.12717	12.3
227.10654	3.8
229.10176	1.8
229.12297	2.7
230.10869	2.7
231.11736	3.7
232.08958	2.4
233.09677	2.8
233.13280	3.7
234.10318	1.7
235.11148	9.0
236.11903	3.8
237.09134	2.6
237.12830	3.5
239.08345	1.3
239.10661	36.4
240.10954	3.0
241.12213	4.3
243.10078	15.3
243.13863	2.7
244.12437	2.1
245.09656	2.2
245.13437	2.0
247.11182	3.2
249.12784	7.0
251.10667	4.0
251.14323	2.7
253.12248	7.7
257.09464	1.9
257.11816	6.2
259.11142	2.3
260.12088	3.7
261.12823	7.4
262.13586	2.3
263.14383	3.7
268.12775	1.5
269.11865	2.4
271.10950	2.9
272.11832	1.6
273.12817	4.0
275.10635	1.7
275.14291	5.2
275.26859	1.7
277.12350	4.1
277.16055	2.3
279.13815	5.5
285.12735	1.7
287.13071	3.0
291.13739	5.2
297.15381	2.7
299.14145	2.5
301.16132	2.1
303.13824	4.5
305.15448	4.0
309.12399	2.2
313.15665	2.1
315.17331	2.6
319.16980	3.5
322.13553	2.3
323.14087	2.4
325.15866	1.7
338.16571	2.3
339.17282	2.8
343.20615	3.2
353.19000	7.1
355.17166	2.0
356.17838	1.8
357.18652	2.3
366.16168	3.3
371.20010	22.3
371.92081	1.8
372.20361	3.2
373.17819	3.5
375.19363	3.4
381.18448	23.2
389.21097	24.7
390.21173	2.6
391.18958	10.2
399.19525	65.4
400.19763	11.2
407.22131	3.1
409.20062	3.8
417.20572	100.0
418.20999	12.7
435.21652	74.2
436.21927	9.8
453.22620	34.8
453.28796	2.2
454.22992	4.3
469.62418	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2635
Annotation	20-Oxo-20,21-seco-tingen-21-oic acid
Peak:m/z	Relative Intensity
53.03949	5.4
55.01880	2.9
55.05518	17.2
57.07054	3.2
59.04975	3.7
65.03938	3.7
67.05505	22.5
69.03433	8.6
69.07063	11.6
71.31399	3.6
75.74548	2.0
79.05495	18.0
81.07056	28.0
81.65854	2.4
83.04974	20.5
83.08622	4.9
91.05476	22.3
93.07042	35.2
95.04963	17.5
95.08601	48.4
97.06537	11.1
97.21394	2.2
97.85241	2.5
105.07030	41.0
107.04974	2.9
107.08588	32.3
109.06514	12.8
109.10152	12.5
111.04411	13.4
111.08086	9.2
115.05430	3.7
117.07028	13.8
119.04967	3.3
119.08590	36.4
121.06526	8.6
121.09415	2.4
121.10112	13.6
123.04515	2.5
123.08082	22.2
123.11736	3.0
125.09625	6.5
128.06218	8.6
129.07008	22.1
130.07817	3.8
131.08557	32.8
133.06551	3.6
133.10110	19.7
135.04352	3.2
135.08075	8.7
135.11702	5.9
137.05977	16.7
137.09579	2.8
139.07614	4.8
141.06982	11.9
142.07790	14.9
143.08556	31.4
144.09372	3.8
145.06444	3.3
145.10127	44.2
147.08031	13.1
147.11676	11.3
149.09631	6.6
151.07437	2.8
153.07072	3.0
154.07779	6.7
155.08545	34.1
156.09373	11.3
157.06499	4.6
157.10115	48.9
159.08075	9.3
159.11710	24.6
161.09639	12.0
161.13222	4.8
163.07541	5.9
163.11226	4.2
165.06998	7.1
166.07773	5.2
167.08533	13.7
168.09352	5.1
169.10107	29.0
170.10881	4.4
171.08035	8.5
171.11671	19.2
173.09641	20.8
173.13284	9.7
173.77063	2.3
175.07523	3.5
175.11153	10.5
177.09143	3.2
177.79872	3.4
179.08444	11.6
180.09332	5.6
181.10112	22.5
182.10928	7.0
183.08069	5.2
183.11678	26.8
184.12419	3.2
185.09621	9.0
185.13254	16.8
187.07520	5.1
187.11220	8.6
187.14775	7.6
189.09055	3.9
189.12717	4.4
191.10706	5.5
192.09323	6.0
193.10135	19.2
194.10864	8.3
195.11656	28.4
196.12341	3.8
197.09590	5.8
197.13222	41.2
197.14877	2.7
198.13698	4.2
199.07495	3.7
199.11224	5.2
199.14822	14.8
201.12721	5.0
201.16220	3.1
205.10159	5.6
205.12273	2.7
206.10889	5.1
207.11713	14.5
208.12473	5.6
209.09669	6.6
209.13255	24.4
211.11177	9.8
211.14822	9.1
213.09155	3.5
213.12761	7.4
213.16389	4.3
215.10692	5.6
215.14365	5.0
217.12204	4.8
219.11659	9.2
220.12370	4.2
221.09666	4.8
221.13254	11.6
223.11191	5.1
223.14796	13.8
224.12018	3.1
225.12651	15.2
225.16422	9.7
227.10831	3.8
227.14357	3.2
229.12280	9.7
229.15755	3.8
231.11807	5.1
231.13808	12.9
232.12485	3.0
233.13229	9.2
234.14098	3.3
235.11266	3.6
235.14809	12.3
237.12759	10.3
237.16370	8.5
238.17085	2.8
239.10693	3.5
239.14352	3.9
239.17931	6.3
241.12184	8.2
243.13824	13.2
245.13222	6.2
245.15431	3.2
247.14888	8.5
249.12703	5.2
249.16379	11.6
251.14413	3.2
251.18005	10.1
253.12218	4.7
253.15793	4.3
255.13885	16.5
255.17171	2.7
257.15408	6.3
263.14227	4.7
263.17953	5.0
265.15967	7.0
265.19415	5.0
267.13846	4.8
267.17432	7.3
269.15527	4.2
275.14041	4.1
275.18048	4.9
277.15881	9.8
279.17313	4.4
281.15350	6.7
283.16992	17.3
291.17484	3.7
292.94470	2.6
293.15347	11.0
293.18839	2.8
295.16931	38.8
296.17508	3.5
297.18457	10.5
303.17639	2.7
303.21024	3.5
309.18567	5.0
311.20151	10.6
313.18167	4.8
315.17291	3.2
319.17017	5.0
319.20419	2.9
321.18399	19.7
323.20059	4.8
325.21576	6.1
335.20108	5.2
337.21555	2.6
339.19565	9.9
343.24530	3.8
349.21341	4.4
351.18753	3.3
353.22073	3.1
357.21335	2.4
359.19928	3.7
361.25162	7.3
365.24713	4.2
371.23654	10.7
379.26215	12.8
389.20798	2.6
389.24774	48.3
390.25101	4.9
399.23019	16.3
400.23157	3.4
405.24185	6.2
407.25836	65.8
408.26251	5.2
417.18576	4.1
417.24182	72.8
418.24454	6.6
423.25372	6.9
425.26831	3.8
435.25223	100.0
436.25723	10.5
453.26306	59.8
453.33060	2.2
454.18845	3.3
454.26868	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2635
Annotation	20-Oxo-20,21-seco-tingen-21-oic acid
Peak:m/z	Relative Intensity
50.01598	0.7
51.02368	0.9
53.03942	2.7
55.01871	1.6
55.05515	9.3
57.03436	1.6
57.07058	1.7
59.04996	0.9
65.03934	2.4
67.05507	18.3
69.03426	3.7
69.07081	4.9
70.50428	1.3
70.50742	1.1
71.04975	2.7
73.99005	0.7
79.05492	16.8
81.03401	1.7
81.07063	21.9
82.07358	0.6
83.04980	14.2
83.08611	1.8
83.69273	0.6
85.02895	1.3
85.06535	1.8
88.67869	0.7
91.05486	18.6
93.07047	29.8
94.07395	1.3
95.04972	13.0
95.08611	31.8
96.08973	1.0
97.02882	1.1
97.06539	7.6
97.10182	1.1
99.04449	0.8
100.11247	1.2
103.05473	1.3
105.04521	0.8
105.07037	26.3
106.07351	0.9
107.04981	2.1
107.07864	0.9
107.08585	14.7
109.06520	50.6
109.10163	4.8
111.02441	0.6
111.04462	5.7
111.08074	9.5
113.06036	1.3
115.05429	3.9
116.06289	0.9
117.07017	9.6
119.04928	1.6
119.08579	18.2
121.06513	7.6
121.10149	7.3
123.04428	2.1
123.07169	1.1
123.08073	19.3
123.11731	1.0
125.05991	12.2
125.09620	1.9
127.07478	0.8
128.06209	5.6
129.07021	11.0
130.07764	2.9
131.04851	0.6
131.08572	16.7
133.06474	2.3
133.10118	9.2
135.08063	12.1
135.11685	3.0
137.05986	4.5
137.09630	2.7
139.07567	2.2
141.06987	6.3
141.09113	1.6
142.07793	9.0
143.08575	16.5
144.05690	1.1
144.09210	1.3
145.06467	3.2
145.10127	19.4
147.04320	0.7
147.08025	6.0
147.11664	4.3
149.06065	0.9
149.09647	4.8
149.13298	1.3
151.07542	2.2
153.07001	4.9
154.07724	3.9
155.06088	0.9
155.08548	26.2
156.09401	3.8
157.06465	2.1
157.10133	18.0
158.07298	4.5
158.10822	0.8
159.08060	16.6
159.11705	9.3
160.08775	1.4
160.12218	0.8
161.09621	8.4
161.13242	2.2
162.05943	0.7
163.07539	0.9
163.11209	2.6
165.06990	7.0
166.07747	3.7
167.08546	7.3
168.09384	4.3
169.06548	1.0
169.10135	14.5
170.10783	2.2
171.08087	5.1
171.11716	9.6
172.08806	4.1
172.12274	0.7
173.09621	34.0
173.13301	2.7
174.10016	1.5
175.07568	1.6
175.11163	7.3
177.09111	1.0
177.12653	0.8
178.07768	4.3
179.08565	7.8
180.09344	6.3
181.06520	1.0
181.10115	11.3
182.10951	3.8
183.08052	3.3
183.11673	12.5
184.08836	1.2
184.12370	1.6
185.09648	7.6
185.13239	5.9
186.10306	2.0
187.07610	1.6
187.11179	12.7
187.14796	1.3
189.09119	2.6
189.12756	3.0
191.08673	3.5
191.10689	3.2
192.09340	7.3
193.10141	13.5
194.10896	4.3
195.08020	3.8
195.11697	19.8
196.08745	3.7
196.12360	3.0
197.09599	8.5
197.13243	10.5
198.10388	2.6
199.11174	7.8
199.14868	1.4
200.11699	1.0
201.09177	1.5
201.12799	3.2
203.08643	2.3
203.10687	2.3
203.14415	0.9
204.09366	1.3
205.10146	6.9
205.12175	1.7
206.10869	5.0
207.11688	26.7
208.08850	1.6
208.12337	2.4
209.09624	14.5
209.13258	10.3
210.10396	8.4
210.13762	0.8
211.11191	22.3
211.14635	3.4
212.11971	3.3
213.09392	0.9
213.12750	18.7
213.16180	0.9
214.13162	1.4
215.08748	1.6
215.10680	1.0
215.14342	2.1
216.09206	1.1
217.10226	3.6
217.12093	1.0
218.10934	2.1
219.11693	8.9
220.12451	2.9
221.09648	3.0
221.13257	7.7
222.10339	2.8
222.13879	1.5
223.11188	25.0
223.14529	3.9
224.11913	9.1
225.09349	1.2
225.12759	26.5
225.16214	1.5
226.13322	3.0
227.10571	1.0
227.14241	3.9
229.10095	2.8
229.12219	1.5
230.10828	3.3
231.11705	3.8
231.13837	1.1
231.74223	0.7
232.12395	1.8
233.09644	2.1
233.13232	6.9
234.10300	1.4
234.13905	2.2
235.11240	4.4
235.14799	5.2
236.11942	2.9
236.15315	0.8
237.12756	9.6
237.16235	2.0
238.13339	1.7
239.10535	1.0
239.14288	7.6
239.17900	1.2
241.12306	1.3
243.11613	1.9
243.13849	2.4
244.12350	3.6
245.09526	1.0
245.13277	7.2
245.15443	1.2
246.10396	1.1
246.13954	2.2
247.11110	3.3
247.14865	9.2
248.11943	2.7
248.15460	1.1
249.12698	5.6
249.16338	6.2
250.13455	2.3
250.16809	0.8
251.14264	5.9
251.17943	1.1
252.15062	1.2
253.12227	1.2
253.15866	2.7
255.11559	0.9
255.13936	1.5
257.13229	1.8
258.13855	0.9
259.14786	8.0
260.12677	0.8
260.15491	2.5
261.12753	5.0
261.16519	3.9
262.13498	2.8
262.16629	1.6
263.14313	8.0
264.15015	2.1
265.15872	8.1
265.19385	1.1
266.16449	1.4
267.17459	3.7
273.16348	2.5
274.13565	1.7
275.14362	3.8
275.17734	3.9
276.15060	1.4
276.18607	1.0
277.15872	12.5
277.19083	1.0
278.16534	2.9
279.14093	1.4
279.17398	5.3
281.15323	2.0
283.17206	1.2
284.15341	0.9
285.16357	3.0
287.14435	1.5
287.17801	1.3
289.15894	2.3
289.19470	2.2
290.16699	1.0
290.20328	0.9
291.17410	2.6
292.18179	1.3
293.15555	1.6
293.18973	3.9
295.17068	8.6
295.20245	1.4
296.17456	1.3
297.18695	1.3
299.17862	1.6
300.18835	1.9
301.15887	1.6
301.19189	1.0
303.14209	0.9
303.17450	6.8
304.17957	1.5
305.15573	1.0
305.18848	1.7
306.19547	1.3
307.17191	1.3
307.20663	3.1
311.19983	1.3
313.18515	0.9
315.17548	1.5
317.19052	2.8
318.19769	2.5
319.17133	1.6
319.20590	0.9
321.18484	8.1
322.19049	1.1
331.20511	0.9
335.20313	1.0
339.19629	2.6
341.19122	0.8
353.22562	2.5
361.25369	2.2
371.23682	4.8
373.21463	0.9
375.23215	2.0
379.26407	1.7
381.22058	4.1
387.23166	1.5
389.24774	10.5
390.25433	0.8
391.22604	1.6
399.23145	15.4
400.23413	1.1
405.24283	3.3
407.25803	13.5
408.25949	1.1
417.24237	100.0
418.24619	9.4
425.26840	1.3
435.25278	67.6
436.25674	7.0
453.25980	11.2
454.26636	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2635
Annotation	20-Oxo-20,21-seco-tingen-21-oic acid
Peak:m/z	Relative Intensity
50.18917	0.8
53.03946	2.3
55.01875	1.7
55.05510	15.4
57.03430	2.4
57.07067	2.4
59.05010	5.9
61.97591	0.8
65.03937	2.1
67.05504	26.8
69.03429	6.6
69.07074	7.8
71.04973	1.1
71.31320	1.3
77.03918	0.9
79.05489	13.5
81.07060	21.6
83.04985	17.4
83.08629	2.4
85.06554	1.2
91.05476	22.0
93.07044	32.6
94.07387	1.5
95.04971	9.2
95.08608	57.5
96.08914	1.8
97.02898	1.0
97.06527	5.6
97.10179	1.8
98.23251	0.9
99.04485	1.5
103.05468	1.9
104.77493	0.8
105.04564	1.3
105.07028	30.2
107.04987	1.6
107.07851	1.3
107.08595	24.5
109.06521	8.3
109.10154	10.9
111.04443	5.8
111.08080	11.4
111.38165	0.8
113.06024	2.3
115.05402	4.1
116.06245	1.1
117.07015	9.4
119.08582	31.5
121.06506	10.5
121.10157	9.5
123.07168	1.3
123.08071	23.6
123.11732	2.2
125.05991	2.4
125.09647	3.7
127.07561	1.6
128.06224	10.9
129.07001	12.1
130.07793	3.2
131.08559	17.6
133.06502	5.0
133.10121	15.4
134.10475	1.1
135.04442	1.5
135.08075	5.5
135.11685	4.8
137.05978	2.9
137.09608	2.6
137.13275	1.3
139.07559	3.7
141.06998	8.1
141.09108	4.1
142.07782	12.2
143.08566	33.6
144.09329	3.6
145.06433	4.5
145.10127	23.7
146.07289	1.6
146.10588	1.4
147.08046	7.7
147.11687	5.8
149.05971	2.1
149.09631	3.1
149.13304	1.7
151.07597	1.3
152.06284	1.1
153.06967	5.3
154.07777	5.2
155.08562	21.5
156.09335	10.9
157.06487	2.9
157.10129	32.1
157.11426	1.7
158.10843	1.6
159.08070	6.6
159.11699	22.0
160.08847	1.8
160.12131	1.0
161.09619	22.3
161.13228	6.0
163.07556	2.8
163.11191	3.1
165.06972	11.3
166.07784	5.6
167.08571	15.6
168.09319	5.5
169.06474	1.8
169.10129	27.6
170.10880	8.4
171.08081	9.1
171.11690	24.4
172.08801	2.0
172.12292	1.2
173.06058	1.4
173.09599	7.6
173.13271	7.4
174.10422	1.5
175.07584	2.7
175.11205	7.6
177.09120	1.5
178.07780	3.7
179.08563	13.9
179.10660	3.0
180.09337	10.5
181.06505	1.1
181.10121	25.1
182.10884	8.4
183.08084	5.2
183.11691	28.6
184.08861	1.7
184.12369	3.1
185.09666	7.0
185.13269	19.2
186.10240	1.0
186.13728	1.6
187.07515	2.5
187.11171	6.6
187.14848	3.7
189.06920	0.9
189.09193	3.1
189.12723	9.3
191.08586	4.7
191.10492	1.9
192.09291	9.7
193.10133	22.7
193.11949	1.1
194.10898	12.4
195.08092	4.0
195.11693	30.6
196.08839	3.3
196.12419	8.3
197.09624	12.1
197.13269	21.4
198.10394	3.4
198.13835	1.2
199.07574	5.5
199.11160	7.3
199.14825	4.0
201.09129	3.4
201.12735	10.4
203.08572	2.0
203.10696	2.7
203.14297	1.2
204.09291	1.7
205.10139	6.7
205.12009	1.3
206.10953	7.9
207.11700	23.4
207.13632	0.9
208.08887	3.0
208.12433	10.6
209.09807	7.1
209.13242	29.8
210.10385	3.6
210.13895	6.2
211.07819	1.4
211.11237	13.0
211.14810	11.4
212.11940	3.8
213.09209	4.8
213.12752	9.1
213.16310	1.5
214.13228	1.3
215.08858	1.1
215.10666	5.8
215.14363	1.5
216.09319	1.5
217.10178	4.6
217.12198	1.9
218.10939	4.3
219.11713	10.6
219.13724	1.7
220.12390	6.2
221.09698	7.0
221.13232	16.8
222.10408	4.0
222.14040	4.5
223.11243	14.9
223.14795	26.1
224.08392	1.3
224.11984	1.8
224.15459	2.8
225.09084	2.6
225.12758	11.5
225.16341	10.7
226.13239	1.2
227.10715	5.9
227.14235	6.8
227.17952	1.1
229.10159	1.5
229.12201	8.6
229.15930	1.6
230.10912	1.4
231.11697	5.0
231.13800	1.9
232.12495	3.8
233.09613	2.2
233.13277	12.0
233.15385	1.5
234.10455	1.6
234.13942	7.0
235.11197	9.2
235.14796	13.7
236.11787	4.3
236.15517	2.8
237.09163	1.4
237.12785	13.6
237.16321	7.3
238.13388	2.0
238.17105	1.9
239.10706	11.0
239.14278	10.2
239.17955	2.4
240.11337	1.6
241.12222	13.2
241.15945	2.0
243.11644	1.3
243.13802	1.8
244.12486	3.2
245.13257	5.8
245.15498	1.7
246.13974	2.8
247.11215	4.8
247.14915	11.1
247.17183	1.4
248.11897	2.5
248.15616	3.4
249.12752	9.2
249.16379	18.5
249.18799	1.5
250.13605	2.6
250.17000	3.3
251.10770	2.2
251.14339	11.9
251.17969	9.3
252.14886	2.4
252.18399	0.9
253.12221	7.2
253.15909	4.4
253.19530	1.4
255.13858	10.0
256.14499	1.1
257.13095	1.4
257.15424	7.0
258.13953	2.0
259.11002	1.3
259.15140	6.1
260.11908	1.8
260.15619	1.8
261.12836	6.0
261.16400	6.1
262.13589	3.5
262.17136	1.9
263.14371	8.3
263.17874	3.4
264.18567	1.4
265.12320	2.7
265.15860	11.9
265.19431	2.6
266.16537	2.3
267.13849	8.3
267.17502	12.1
268.14487	1.7
268.17786	1.2
269.15347	13.6
270.15897	0.9
271.17020	2.0
273.12601	1.9
273.16495	1.9
274.13434	2.8
274.17255	1.2
275.14301	6.9
275.17892	3.7
276.15115	3.5
277.12817	0.8
277.15887	23.3
277.19427	3.0
278.13098	0.9
278.16409	2.0
279.13821	4.4
279.17410	6.7
279.20612	1.4
280.14438	2.0
280.18088	1.2
281.15326	5.8
281.18698	1.7
282.15982	1.5
283.16974	2.7
285.15305	1.1
287.14539	2.2
287.17831	1.3
288.15256	1.3
289.15851	4.2
289.19226	1.6
291.13754	1.9
291.17465	3.8
291.20853	1.9
292.18152	1.3
293.15408	10.5
293.18948	3.7
294.16129	2.6
295.16916	40.1
295.20105	1.5
296.17554	4.5
297.18549	10.2
301.15891	2.4
302.16510	1.2
303.17465	10.4
303.20792	1.3
304.17618	1.1
305.15228	2.4
305.19089	2.2
306.16040	1.2
307.16904	4.5
307.20609	3.0
308.21152	2.0
309.18478	2.6
311.16522	2.1
311.20178	1.7
313.18045	8.0
315.17288	1.2
317.18927	1.6
318.19745	3.4
319.16934	3.8
319.20343	1.4
321.18478	17.7
322.18909	1.4
323.20074	2.3
325.18127	1.2
325.21573	1.6
329.18964	1.2
331.20599	2.9
333.18463	3.4
333.22073	1.3
335.20126	4.6
336.20819	5.5
337.17853	1.7
337.21564	1.1
339.19574	12.0
343.16931	1.2
345.22128	1.8
345.25833	1.4
349.17703	1.5
349.21597	8.6
353.21777	1.0
359.19922	5.1
361.17749	2.4
361.21677	3.6
361.25299	2.0
363.23230	5.0
365.24802	3.5
371.23703	6.2
373.21585	6.8
373.25629	1.5
375.23312	1.3
377.21036	11.4
379.18979	1.1
379.26434	2.0
381.22101	1.1
389.20029	1.2
389.24792	21.2
391.22571	41.1
392.23093	3.8
393.24258	1.9
395.22101	4.9
399.23138	19.0
400.23340	1.6
407.25842	18.6
408.25903	1.4
409.23740	19.0
410.24136	1.1
417.24207	85.1
418.24448	8.9
435.25201	100.0
436.25586	11.1
438.19968	2.8
453.26361	40.1
454.26660	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2638
Annotation	20-Oxo-20,21-seco-tingen-21-oic acid
Peak:m/z	Relative Intensity
53.03949	7.5
55.05511	19.5
57.07083	2.8
59.04992	4.9
59.70302	2.5
65.03948	2.7
65.66314	2.0
67.05504	40.3
69.03429	9.2
69.07069	13.9
73.09358	2.3
79.05494	19.0
81.07061	29.9
82.63108	2.5
83.04981	19.5
83.08624	3.1
91.05484	26.5
93.07050	47.1
95.04964	14.0
95.08606	73.3
97.06549	6.5
98.22579	6.3
105.07032	41.5
107.08594	32.5
109.06523	9.1
109.10143	14.1
111.04433	8.4
111.08086	12.6
112.07090	3.2
113.06062	2.8
115.05467	4.2
117.06989	16.4
119.08587	34.4
121.06505	15.3
121.10114	16.7
123.08052	31.7
123.11703	4.3
125.09644	4.3
128.06212	12.9
129.07036	14.9
130.07816	4.8
131.08574	28.5
133.06487	4.7
133.10129	30.3
135.08049	10.6
135.11703	10.2
137.05974	5.0
137.09601	4.4
139.07571	6.4
141.06984	13.8
141.09099	8.7
142.07782	12.7
143.08565	43.6
144.09357	5.3
145.06526	5.8
145.10118	47.2
147.08047	11.2
147.11653	8.2
149.09631	6.1
153.07019	6.1
154.07790	7.9
155.08537	28.7
156.09332	18.6
157.10129	53.0
158.07262	3.2
158.10779	3.3
159.08061	7.2
159.11682	36.1
160.12201	4.3
161.09616	27.5
161.13271	7.5
163.07501	5.2
163.11189	8.1
165.06963	12.2
166.07771	7.9
167.08545	19.9
168.09352	9.5
169.10121	45.1
170.10884	14.2
171.08032	14.5
171.11685	42.8
172.12190	2.9
173.09612	12.4
173.13257	14.7
175.11198	10.4
178.07687	3.3
179.08588	16.9
179.10634	3.0
180.09306	14.1
181.10086	30.3
182.10883	9.0
183.08109	9.3
183.11694	43.8
184.12212	5.9
185.09631	8.8
185.13280	27.4
186.13864	3.1
187.07571	3.2
187.11218	9.8
187.14844	6.5
189.09258	3.0
189.12825	11.8
191.08783	4.0
192.09300	11.6
193.10153	26.4
194.10896	17.6
195.08099	5.8
195.11671	43.5
196.08789	3.7
196.12396	6.8
197.09616	13.4
197.13248	27.1
198.13907	3.1
199.07463	5.6
199.11191	11.3
199.14871	9.4
201.09114	3.3
201.12755	9.1
201.16417	3.4
203.14537	2.6
205.10162	5.3
205.12190	3.4
206.10919	6.8
207.11694	30.9
208.09029	3.6
208.12460	14.0
209.09625	8.1
209.13261	36.6
210.13879	8.8
211.11195	18.1
211.14809	18.8
212.11761	4.0
213.09157	6.6
213.12775	9.7
213.16228	2.9
215.10716	7.4
215.18204	2.9
217.10257	5.7
218.10822	4.8
219.11745	11.8
220.12514	8.6
221.09631	4.6
221.13249	21.2
222.13893	7.7
223.11302	15.9
223.14809	29.9
224.08260	3.4
224.11922	4.9
224.15424	6.4
225.12775	9.7
225.16318	13.6
226.16716	2.8
227.10713	6.4
227.14363	10.1
229.10130	3.4
229.12285	10.1
229.15912	4.2
231.11673	4.9
231.13846	4.0
232.12468	6.5
233.09674	3.5
233.13281	11.9
233.15323	2.9
234.13876	8.8
235.11165	9.1
235.14842	16.9
236.12021	4.4
236.15489	7.8
237.12787	18.6
237.16406	8.5
239.10657	12.7
239.14340	10.1
239.17856	4.2
241.12286	17.6
241.15875	4.1
243.13835	3.2
244.12463	4.5
245.13147	4.6
246.14015	3.8
247.11122	4.8
247.15022	14.2
248.15419	3.2
249.12770	10.2
249.16437	22.5
250.17020	2.7
251.10559	3.2
251.14308	12.9
251.18031	11.7
252.14980	2.8
253.12305	8.2
253.15935	6.5
255.13799	18.5
257.15350	11.4
259.14825	6.0
260.15683	4.9
261.12845	6.7
261.16278	7.9
262.13443	7.0
263.14264	8.3
263.17987	3.9
265.12494	3.7
265.15857	15.1
265.19318	2.5
267.14035	12.4
267.17203	11.8
268.14322	3.1
269.15369	21.4
271.14639	3.1
273.16129	3.2
275.14276	5.4
275.17984	4.4
276.15002	5.5
276.18530	2.6
277.12656	3.9
277.15799	27.8
278.16489	4.8
279.13980	6.0
279.17474	6.9
281.15378	10.5
281.18784	5.0
283.16998	4.0
285.18576	3.0
289.15900	3.1
290.16492	3.1
291.17413	6.4
291.20807	3.1
293.15363	11.0
293.18704	5.2
295.16898	52.7
295.20163	5.5
296.17328	5.9
297.18414	6.1
303.17548	10.7
305.15494	3.5
305.19055	3.0
307.16913	4.6
309.18323	4.6
311.16458	4.3
311.20001	2.8
313.17847	13.1
317.18976	3.3
319.16833	3.5
321.18427	18.3
323.20221	3.7
327.08627	2.6
335.20065	5.2
336.20871	7.2
339.19781	12.0
349.21671	8.9
353.21240	3.8
359.20248	6.1
361.21555	3.5
361.25500	3.0
363.23209	4.8
365.24741	5.7
371.23944	6.0
373.21603	7.2
377.21109	13.0
389.24747	26.4
391.22537	51.4
392.22894	5.0
395.22128	6.5
399.23129	15.4
407.25748	20.5
409.23706	20.4
417.24188	93.2
417.32648	3.6
418.24463	8.0
435.25201	100.0
436.25540	15.0
453.25815	45.1
454.26526	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.8
54.23795	3.9
55.05511	28.4
57.03425	4.3
65.03928	4.5
65.60787	4.0
67.05510	36.1
69.03434	7.5
69.07063	13.0
70.56229	7.9
70.56604	6.2
71.04994	4.0
79.05504	20.4
81.07056	36.5
83.04990	35.5
83.08578	5.7
91.05481	38.6
93.07053	45.4
95.04962	13.7
95.08602	70.6
96.08951	4.1
97.06512	11.0
97.10137	3.7
105.07030	54.4
107.08585	46.6
109.06501	14.4
109.10169	24.2
111.04428	21.3
111.08074	16.3
113.06028	5.6
117.07011	16.5
119.08586	44.8
121.06477	10.6
121.10130	18.4
123.08073	28.8
123.11687	5.7
125.09628	5.7
128.06209	9.5
129.07007	15.8
131.08583	27.0
133.06447	7.0
133.10153	32.7
135.08052	14.1
135.11688	9.9
135.12718	4.5
137.05984	5.2
137.09558	4.9
139.07556	7.2
141.06982	8.5
141.09158	5.2
142.07755	6.6
142.10732	4.3
143.08548	32.8
144.09412	4.8
145.06406	6.0
145.10144	28.1
147.08022	16.3
147.11702	17.3
149.09589	6.1
151.07529	6.6
153.06989	6.9
154.07785	9.4
155.08556	21.9
156.09325	9.0
157.06483	9.2
157.10129	30.2
159.08037	9.9
159.11684	21.0
161.09634	18.1
161.13271	14.2
163.11205	6.5
165.07004	17.1
167.08585	9.4
168.09314	10.8
169.10130	31.0
170.10860	5.1
171.07974	18.0
171.11746	19.6
172.08713	4.7
172.12073	4.4
172.61224	4.1
173.09639	16.6
173.13268	5.9
174.10313	3.7
175.07640	8.7
175.11223	11.5
175.14810	6.7
178.07793	3.9
179.08563	16.5
180.09340	9.0
181.06509	5.1
181.10132	19.2
182.10887	6.2
183.08061	29.0
183.11674	26.3
185.09621	15.8
185.13258	12.2
187.07495	4.4
187.11189	19.4
187.14857	4.9
188.11745	4.2
189.09085	5.8
189.12773	12.6
192.09352	7.7
193.10025	25.0
194.10754	7.7
195.07990	6.0
195.11705	37.1
196.12332	5.8
197.09628	59.2
197.13351	21.2
198.10316	7.6
199.11182	14.0
199.14761	10.6
200.08354	8.7
201.12743	10.3
201.16312	5.0
203.08696	4.1
204.09433	5.3
205.10072	17.7
206.10893	7.7
207.11685	23.5
207.13564	6.8
208.08815	6.4
208.12274	4.7
209.09685	19.5
209.13257	17.6
211.11192	28.5
211.14877	9.3
213.12756	27.5
213.16251	4.2
215.08693	5.8
215.10597	11.3
215.14302	4.9
217.10265	4.7
218.10899	4.7
219.11668	10.1
220.12418	5.9
221.09644	4.9
221.13284	21.0
223.11176	100.0
223.14838	11.0
224.11853	10.7
225.12743	12.2
225.16357	5.3
226.10016	4.0
227.10728	5.5
227.14336	8.7
229.12236	9.7
230.10942	4.5
231.11728	6.8
232.12521	6.4
233.13229	10.4
235.11266	8.0
235.14897	15.0
237.12628	22.9
237.16330	9.0
238.13525	5.8
239.14348	16.3
241.12262	32.5
241.15912	6.9
244.12366	5.5
245.13234	8.1
246.14001	7.9
247.11107	7.2
247.14833	5.9
248.12077	4.9
249.12694	27.8
249.16443	10.5
251.14288	11.6
253.15881	13.5
259.14813	11.7
261.12775	7.5
261.16409	9.4
262.13470	9.8
263.14310	22.3
263.18109	4.7
265.15817	9.2
267.13742	13.6
269.15399	4.4
275.14395	10.3
275.17978	5.2
277.15860	31.4
277.19016	7.5
279.17422	4.1
281.15341	12.0
289.15878	6.9
293.15533	4.5
295.16956	11.4
297.18588	8.2
303.17456	12.4
321.18295	8.3
371.23669	11.7
377.21140	10.9
381.21918	5.4
389.24387	8.4
396.80075	4.3
399.23294	22.8
400.23166	4.5
407.25876	10.3
417.24057	57.1
418.24707	6.6
435.24612	59.8
436.25510	9.8
453.25186	20.4
453.30283	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29622	10.6
62.59908	8.2
62.82404	10.1
67.05509	11.7
69.03426	25.9
71.04996	15.5
79.05482	17.3
81.07066	13.9
85.02902	14.1
91.05462	15.2
93.07047	27.5
97.06532	8.8
105.07011	30.0
107.08621	20.1
109.02822	11.7
121.10148	49.9
123.04424	33.0
125.09624	40.3
127.03918	100.0
127.11140	12.5
133.10086	46.5
136.08662	9.6
137.65997	10.2
143.10683	67.5
145.10075	10.5
147.04379	29.2
147.11655	12.5
151.03926	13.5
159.11685	13.5
165.05501	11.3
189.16374	23.1
190.58235	9.3
201.16212	13.6
207.17259	12.3
219.17470	23.5
228.10249	10.7
237.18463	25.0
243.11356	14.8
245.12849	12.9
255.19562	12.0
259.02280	9.5
273.12375	24.6
291.03052	23.4
291.13342	81.0
317.51279	9.2
453.08142	20.4
453.21140	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	8.2
55.47353	8.4
67.05499	10.8
69.03432	11.4
69.07059	9.7
71.04995	29.1
79.05491	13.3
81.07054	30.7
85.02885	12.8
85.06562	9.4
91.05495	17.4
93.07040	23.3
95.04974	16.9
95.08601	17.5
97.02881	9.2
98.22562	17.0
105.07043	34.5
107.08602	26.7
109.10166	32.7
119.04949	8.2
119.08590	19.8
121.10142	72.4
123.04456	20.0
125.09583	38.2
127.11197	13.6
131.08502	8.1
133.10100	73.2
143.10667	100.0
143.11664	13.2
145.10098	12.0
147.04442	20.5
147.11676	14.3
148.04686	10.7
149.04990	8.9
149.13252	10.8
151.03767	8.1
159.11659	10.6
189.16420	30.4
201.16389	17.1
207.17467	11.0
209.56450	7.5
219.17447	34.3
237.18529	31.2
255.19493	24.2
272.53928	7.9
273.20724	12.4
453.21024	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.8
57.07060	2.2
65.41319	1.9
67.05508	12.5
69.03443	2.2
69.07064	6.0
79.05500	9.2
81.07056	12.6
82.72073	1.9
83.04976	6.2
83.08625	2.9
89.06021	3.0
89.55634	2.1
90.02486	2.1
91.05492	12.6
91.53992	2.0
93.07043	18.5
95.04971	7.3
95.08602	32.7
98.22713	10.9
98.23407	3.7
103.26610	1.8
105.07036	15.3
107.08601	17.9
109.06522	7.5
109.10133	10.3
111.04443	3.4
111.08088	6.1
115.05561	2.0
117.07044	4.7
117.40189	2.2
119.08588	14.7
121.06457	2.3
121.10136	10.3
123.08033	11.9
123.11712	3.5
125.09628	4.2
127.31032	1.9
128.06207	3.1
129.06990	3.5
131.08597	18.4
133.08620	2.9
133.10097	12.2
135.07990	2.5
135.11711	5.6
137.09651	3.7
139.07571	4.6
141.06958	3.9
141.09064	2.9
142.07828	3.0
143.08585	9.8
145.10132	17.4
147.11705	8.3
149.09549	2.8
153.06946	2.1
155.08565	8.6
156.09335	3.3
157.10106	12.6
159.11687	12.1
161.09630	7.2
161.13269	6.3
165.12836	2.3
166.07837	2.3
167.08485	2.4
169.10094	12.7
171.08084	2.5
171.11728	12.4
173.09647	4.2
173.13295	11.4
175.11253	5.2
179.08580	3.7
181.10133	9.4
182.10965	2.3
183.11716	13.2
185.09692	3.6
185.13312	7.3
187.11166	7.2
187.14851	5.9
189.12773	3.7
193.10201	5.9
194.10930	3.7
195.11652	15.7
196.12578	3.6
197.13260	14.5
199.11188	5.4
199.14793	6.6
201.12737	5.1
201.16341	2.4
203.85161	2.2
207.11758	7.2
208.12265	2.6
209.13193	13.5
211.11224	2.7
211.14891	6.3
213.16422	3.9
215.14297	5.2
221.13258	9.0
223.14841	6.6
225.16473	6.6
229.15900	4.9
235.14809	6.4
237.16380	9.2
238.17130	3.3
239.14377	10.1
239.17906	3.0
241.16058	2.6
251.18059	3.6
253.19569	5.7
255.17424	3.3
257.15491	2.4
277.19513	3.4
279.17575	4.1
279.21051	3.3
295.20636	5.4
296.21335	2.9
297.18497	81.9
311.20316	2.3
377.24796	3.6
389.24841	2.6
393.27826	5.1
395.25781	2.9
417.27838	7.6
435.28995	100.0
436.29416	10.5
453.22162	17.6
453.29498	27.4
454.30688	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2999
Annotation	dihydrocelastrol
Peak:m/z	Relative Intensity
51.02375	0.6
51.53221	0.4
52.07788	0.5
53.03936	1.0
55.05510	5.5
57.03423	0.9
57.07064	1.2
57.80249	0.5
59.05004	0.8
65.03944	1.1
66.58253	0.5
67.05504	13.0
69.03425	1.6
69.06721	0.6
69.07069	5.3
69.21752	0.5
71.04981	1.7
71.30311	0.5
79.05499	7.5
81.07058	12.3
83.01302	0.5
83.04987	5.1
83.08611	2.5
83.35912	0.5
85.06543	0.9
91.05479	10.8
91.06015	0.4
93.07041	16.8
94.07398	0.7
95.04970	6.2
95.08605	22.6
96.08920	0.6
97.02889	0.8
97.04039	0.5
97.06541	3.6
97.10149	0.6
99.04419	0.7
99.08095	1.0
103.05481	0.8
105.07032	19.3
107.08593	15.7
108.08892	0.6
109.06523	9.5
109.10160	9.2
111.03768	0.4
111.04428	2.4
111.08064	4.8
113.06009	1.4
113.09632	0.7
115.05464	2.0
117.07018	7.4
119.08579	19.0
121.06509	3.0
121.10142	12.1
123.04455	0.5
123.08067	10.3
123.11688	3.1
125.06028	0.9
125.09622	10.5
128.06227	2.5
129.06992	6.5
130.07796	0.9
131.08560	13.6
131.09486	0.9
132.08864	0.6
133.06488	1.4
133.10133	13.2
135.08054	3.3
135.11705	4.8
137.05984	1.1
137.09619	5.5
137.13216	0.7
139.07518	1.9
141.06996	4.3
141.09090	1.6
142.07793	5.4
143.08560	14.6
144.09294	1.8
145.06488	1.3
145.10126	18.9
146.10806	0.5
147.08015	3.7
147.11696	7.1
149.09627	2.2
149.13252	2.0
151.07564	0.6
151.11159	2.1
153.07018	1.5
153.09055	0.6
154.07767	1.4
155.08551	11.5
156.09369	3.5
157.10126	17.2
158.10802	1.6
159.08087	2.5
159.11685	13.0
159.12985	0.8
160.08737	0.6
160.12212	0.7
161.09633	4.4
161.13243	3.3
163.11150	1.7
163.14836	0.6
165.06985	1.6
165.12715	0.5
166.07806	2.0
167.08554	3.7
168.09282	2.4
169.10136	13.2
170.10783	1.8
171.08038	2.0
171.11684	12.8
172.08846	0.9
172.12312	1.0
173.09647	6.3
173.13264	8.4
174.13646	0.5
175.07582	0.6
175.11221	3.9
175.14874	1.9
177.09145	1.1
177.12762	1.9
178.07848	0.9
179.08559	1.9
180.09282	1.5
181.10138	7.0
182.10878	2.4
183.11684	13.7
184.08698	0.5
184.12436	1.7
185.09644	2.6
185.13251	9.2
186.13844	0.9
187.11148	3.9
187.14818	3.3
189.09117	0.7
189.12761	4.8
189.16328	0.9
190.13191	0.5
191.08496	1.1
191.10542	0.6
191.14279	1.2
192.09373	1.2
193.10161	4.0
194.10883	1.7
195.08064	0.6
195.11688	10.0
196.12424	2.2
197.09700	1.2
197.13264	10.8
198.13934	1.4
199.11169	2.7
199.14833	6.8
201.12750	2.2
201.16391	2.5
203.10582	0.9
203.14301	0.6
205.10181	0.9
205.12202	0.8
206.10959	1.7
207.11725	6.4
208.12407	1.4
209.09605	0.6
209.13264	7.6
210.13983	2.0
211.11221	2.2
211.14825	6.8
212.15521	1.2
213.12752	2.2
213.16409	3.4
215.14330	1.6
215.17944	0.8
217.09976	0.8
219.11725	1.8
220.12402	1.4
221.13391	4.4
222.14026	1.3
223.11348	0.9
223.14821	6.0
224.15601	1.4
225.12796	3.1
225.16364	7.6
226.17018	1.1
227.14334	2.6
227.17952	2.4
229.15877	3.8
231.13824	0.6
231.17390	1.4
232.12457	0.9
233.13229	1.9
235.11206	0.7
235.14830	5.1
236.15498	1.2
237.12689	1.4
237.16396	6.1
238.16960	0.8
239.14336	1.8
239.17960	3.2
241.15852	3.6
241.19572	1.0
242.16580	1.2
243.17404	2.4
245.13280	1.0
246.13974	1.0
247.14870	2.1
249.16452	2.6
250.17236	1.2
251.14241	1.1
251.17932	4.4
252.18628	0.9
253.15970	1.6
253.19550	2.8
255.17438	1.8
257.18860	0.8
261.16351	2.0
263.14487	1.1
263.17947	3.1
264.18658	0.7
265.10681	0.7
265.16055	0.8
265.19498	2.4
266.20407	0.7
267.17407	1.4
267.21069	2.0
275.17932	1.7
277.15741	0.7
277.19507	3.9
278.20258	1.5
279.17459	1.5
279.21072	2.3
281.15674	0.5
281.18945	1.6
283.17181	0.9
283.20563	1.7
287.17828	0.7
289.19589	0.6
291.17413	1.3
291.20975	1.1
293.18994	1.6
293.22620	1.9
295.16968	1.4
295.20584	4.2
296.21069	0.7
297.18564	0.9
297.22089	1.2
303.21024	2.1
305.22586	0.8
307.20715	0.8
307.24075	0.9
309.18741	0.8
311.20236	0.8
311.23669	1.3
313.21686	2.1
317.22604	0.8
318.23438	0.9
319.20496	0.9
319.24231	0.8
321.18729	0.6
321.21997	2.6
323.19882	0.8
323.23383	0.8
325.25159	0.8
328.58200	0.6
333.21960	0.7
336.24500	1.1
337.21429	0.9
339.23260	3.4
347.20166	0.6
349.21411	1.0
349.25342	0.6
361.21658	0.9
365.24796	1.1
367.26379	0.8
371.27481	0.8
375.26865	1.2
377.24747	3.0
379.30011	0.7
389.28534	4.8
391.26144	0.8
393.27917	3.3
394.28036	0.7
395.25800	2.4
399.26923	2.6
405.27957	3.5
407.29529	9.0
408.29846	1.0
409.27313	0.8
411.29025	0.8
417.27853	18.7
418.28455	2.5
423.28857	4.8
424.29294	0.7
425.30438	2.9
435.28946	45.7
436.23163	0.7
436.29214	6.2
453.23053	3.7
453.29977	100.0
454.23544	1.2
454.30246	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.05514	19.8
57.03448	2.9
57.07087	4.0
58.97103	2.1
65.03936	3.3
66.84184	2.0
67.05505	34.8
67.49223	1.8
69.03448	5.3
69.07075	13.1
71.05003	2.4
73.02681	2.0
79.05494	20.2
81.07060	37.1
83.04983	22.5
83.08616	5.3
85.06529	2.8
91.05485	27.9
93.07044	44.9
95.04974	11.1
95.08609	66.7
97.06541	7.0
97.10191	4.7
98.22504	4.7
99.04482	2.0
99.08121	2.0
103.05492	2.6
105.07033	50.0
107.08606	39.2
109.06516	8.9
109.10161	23.9
111.04437	5.4
111.08096	12.3
113.06022	3.5
115.05454	5.4
116.69474	2.4
117.07046	11.5
119.08585	42.2
121.06508	7.3
121.10142	25.3
123.08080	23.6
123.11725	6.9
124.03786	2.3
125.09634	6.6
128.06259	10.5
129.07004	20.4
130.07809	2.4
131.08574	35.1
133.06508	4.7
133.10138	25.8
135.08052	8.2
135.11710	8.9
137.09608	6.0
139.07558	6.9
141.06102	2.5
141.07011	15.0
141.09091	3.6
142.07799	13.6
143.08583	37.5
144.09367	3.3
145.06470	4.9
145.10123	41.6
146.10637	2.2
147.08073	8.3
147.11702	15.7
149.09630	2.9
149.13257	4.5
153.05595	2.4
153.07018	7.3
154.07788	6.2
155.08554	50.2
156.09337	14.4
157.10138	46.6
158.10823	3.5
159.08107	6.3
159.11697	27.5
161.06042	2.7
161.09668	18.5
161.13284	15.7
161.36748	2.0
163.11220	6.8
165.07068	4.4
166.07765	3.1
167.08592	9.7
168.09329	8.1
169.10129	48.3
170.10597	5.1
171.08095	6.6
171.11705	36.9
173.09653	10.6
173.13301	13.5
175.11182	13.4
175.14777	5.1
179.08586	11.4
180.09343	6.7
181.10133	22.3
182.10905	10.0
183.11688	38.0
184.12384	4.3
185.09598	5.6
185.13293	17.7
185.34673	2.0
187.07533	5.3
187.11182	13.1
187.14867	8.1
189.09093	3.1
189.12740	11.6
189.16469	3.7
191.10640	3.1
191.14287	3.0
192.09308	3.2
193.10144	15.7
194.10793	7.6
195.11713	36.9
196.12486	10.2
197.09674	7.2
197.13266	74.9
198.13852	3.4
199.11218	12.4
199.14766	15.6
201.09129	7.1
201.12785	7.6
201.16479	5.4
203.10753	3.5
203.14302	3.9
205.10359	2.9
206.10991	3.8
207.11684	10.9
207.13618	2.7
208.12375	7.1
209.09727	2.6
209.13260	29.3
210.13972	4.5
211.11249	8.3
211.14804	22.4
212.15398	2.2
213.12799	8.4
213.16452	10.1
215.17966	3.4
217.10092	2.5
217.15942	4.5
219.11777	7.6
220.12447	4.5
221.13414	14.4
221.15213	3.8
222.13989	6.7
223.11295	4.4
223.14886	16.6
224.15414	3.2
225.12720	9.0
225.16405	9.9
226.13202	2.8
227.14343	3.6
227.17975	3.0
229.15968	8.2
233.13278	5.9
234.14159	2.7
235.14864	10.2
236.15475	3.7
237.16386	33.0
238.17154	4.4
239.14342	6.6
239.17892	10.6
241.15874	9.8
247.14844	3.1
249.16396	7.2
251.14354	3.6
251.17940	6.3
253.15921	8.9
253.19521	20.2
255.17448	19.6
257.18951	3.5
261.16278	4.4
263.17953	6.2
265.15942	4.6
265.19406	3.1
267.17444	6.5
267.20721	2.9
275.17969	5.3
277.16370	2.4
277.19366	12.5
278.20258	2.6
279.17343	3.9
279.20862	3.0
281.18973	6.4
293.19092	4.1
294.23441	2.6
295.17575	2.9
295.20575	15.3
295.31839	2.3
296.21252	2.8
299.16440	68.7
299.19592	3.2
300.16797	4.6
319.20566	3.7
321.22223	4.6
337.21671	20.3
351.23068	2.7
359.23694	3.3
376.76495	2.6
377.24704	22.2
393.27942	34.6
394.28171	5.1
395.25845	12.1
417.27771	17.0
435.28854	100.0
436.29001	11.3
453.22601	9.3
453.28918	6.4
453.33673	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
55.05515	9.9
57.03421	1.5
57.07077	2.4
59.05005	3.5
60.65787	1.1
65.03944	3.0
66.77465	1.2
67.05507	19.2
67.08712	1.3
67.88893	1.3
69.03425	4.0
69.07079	7.7
71.05000	3.7
71.30561	1.3
71.30972	1.9
79.05492	11.3
81.07056	17.9
83.04982	11.3
83.08613	3.4
85.06587	1.7
91.05471	16.3
91.05917	1.5
93.07053	27.7
93.07627	2.0
94.07367	2.2
95.04989	5.6
95.08610	44.1
96.05367	1.5
97.06550	3.9
99.04487	2.0
99.08097	2.1
103.05463	1.4
105.07037	25.8
107.08597	23.6
109.06526	6.5
109.10155	16.6
111.04461	4.6
111.08059	11.3
113.06018	1.9
113.09641	2.5
114.26865	1.2
115.05424	2.7
117.07021	8.0
119.08600	29.5
119.09444	2.3
121.06511	5.0
121.10136	11.5
123.08073	28.8
123.11715	4.1
125.09639	22.8
128.06258	4.9
129.07034	9.7
131.08569	19.3
133.06505	2.8
133.10146	23.3
135.08064	5.2
135.11705	5.5
137.09636	4.3
139.07541	5.1
141.07051	5.1
141.09111	5.4
142.07800	8.0
143.08574	24.8
145.06520	2.1
145.10126	27.5
146.10542	2.1
147.08028	7.3
147.11708	10.8
149.09662	4.2
149.13298	1.8
151.11217	11.4
152.21631	1.2
153.07013	2.2
154.07799	1.8
155.08553	14.3
155.27118	1.3
156.09381	9.1
157.10133	31.3
158.10861	2.8
159.08095	5.4
159.11710	24.4
160.12125	1.5
161.09618	10.8
161.13254	10.7
163.11188	4.1
163.14706	1.3
165.06967	1.6
166.07814	1.5
167.08624	6.6
168.09348	4.5
169.10117	20.8
170.10892	3.8
171.11700	22.3
173.09653	6.0
173.13257	17.8
175.11150	6.7
175.14832	2.3
177.12683	1.8
179.08583	4.6
179.10759	1.7
180.09302	3.2
181.10117	12.8
182.10938	5.4
183.08104	2.3
183.11694	23.3
184.12215	2.8
185.09645	6.3
185.13280	16.0
185.14798	1.6
187.11203	6.1
187.14868	5.8
187.35588	1.2
189.12770	9.7
192.09418	2.0
193.10106	8.5
194.10844	3.7
195.11699	17.2
196.12439	5.0
197.09630	3.3
197.13280	20.7
198.13901	2.7
199.11215	7.5
199.14873	8.4
201.12755	6.9
201.16440	2.6
203.14311	1.8
205.10118	3.1
205.15756	1.4
206.10915	2.9
207.11714	8.2
207.13509	1.4
208.12457	4.7
209.13269	16.6
210.13792	2.1
211.11302	6.3
211.14862	15.4
213.12733	5.9
213.16423	5.0
215.14371	3.2
217.15977	2.0
219.11717	3.0
221.13297	8.8
222.14087	1.7
223.11211	1.7
223.14816	12.4
224.15613	3.3
225.12778	5.7
225.16283	7.8
227.14430	6.4
227.17944	3.1
229.15828	6.3
233.13216	3.6
233.15430	2.4
235.11148	1.5
235.14755	7.5
236.15637	3.7
237.12747	4.5
237.16391	10.7
238.17108	1.8
239.14369	10.5
239.17949	4.7
241.15927	7.6
247.14835	3.6
248.15619	1.9
249.16434	5.8
250.17192	1.7
251.14357	2.2
251.18008	5.7
252.14819	2.0
253.15961	3.9
253.19489	6.9
255.17473	6.6
257.15533	2.3
261.16412	1.7
263.17987	2.9
265.15945	4.9
265.19647	1.4
267.17523	4.1
267.20966	1.5
269.18994	3.5
275.17987	2.0
277.16574	2.0
277.19458	10.0
278.20081	1.8
279.17648	2.7
279.21204	3.1
281.19089	3.4
293.19098	3.0
295.17355	2.1
295.20590	12.4
296.21295	2.8
297.18564	9.5
303.21112	1.9
305.19070	2.9
307.20468	1.5
313.21613	3.1
319.20615	2.2
321.22153	3.0
323.20163	5.9
325.21646	3.0
333.22205	2.6
336.24506	1.8
337.21692	2.5
341.21185	5.5
353.21167	2.6
359.23297	1.7
361.21515	4.3
375.22903	1.9
375.27200	1.8
377.24695	9.7
379.22717	4.2
391.26266	2.7
393.27939	8.8
395.25851	3.8
397.23621	3.1
409.27484	5.4
417.23343	2.0
417.27945	24.9
418.28528	1.8
435.28949	100.0
436.29318	13.6
453.29990	44.5
454.30457	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.3
55.05516	30.6
57.03428	6.8
57.07065	11.0
67.05507	49.8
69.03415	6.5
69.07061	22.7
71.04994	6.0
79.05498	33.6
81.03439	9.4
81.07054	67.3
83.04979	26.7
83.08610	14.4
88.93844	5.0
91.05482	43.1
93.07039	71.3
93.60637	5.7
95.04968	22.6
95.08035	9.7
95.08600	90.0
95.49591	5.7
97.06535	13.3
97.10226	4.8
98.22592	16.4
105.07037	89.9
107.08596	74.3
108.08930	6.7
109.06526	25.6
109.10165	35.1
111.08087	13.9
117.07030	9.4
119.08578	82.8
121.06528	8.7
121.10156	49.4
123.08092	36.5
123.11703	20.6
125.05962	6.8
125.09631	9.9
128.06306	5.1
129.06990	10.4
129.10136	5.1
131.08557	40.4
132.03156	6.2
133.06458	8.6
133.10121	100.0
134.10512	5.1
135.08054	13.0
135.11691	22.7
135.89066	5.4
137.05975	15.2
137.09604	9.6
141.09143	7.6
142.07776	8.8
143.08549	33.3
145.10146	49.7
147.08063	12.1
147.11659	41.6
149.09639	19.6
149.13255	11.0
151.11200	22.3
153.05498	10.8
155.08553	17.0
156.09386	14.5
157.10121	44.4
159.08096	14.4
159.11679	47.8
161.09662	16.6
161.13281	19.3
163.11171	10.1
163.14835	9.8
167.08505	8.4
167.10728	6.3
169.10156	20.0
170.10863	9.5
171.11681	34.3
173.09630	17.7
173.13292	39.1
175.11166	29.2
175.14760	11.0
177.12752	8.1
179.10605	6.1
181.10114	9.7
182.10773	8.4
183.11694	23.2
185.09659	9.7
185.13268	24.3
187.11191	12.8
187.14824	14.2
189.12749	19.3
189.16368	6.6
193.10191	8.0
195.11620	12.2
196.12547	5.7
197.13264	29.0
199.14787	18.8
201.12718	9.3
201.16325	13.3
203.14386	7.1
207.11804	6.3
208.12320	10.2
209.13301	10.2
211.11183	10.8
211.14804	11.5
213.12668	11.6
213.16425	13.1
215.14302	17.1
217.15842	15.8
221.13426	11.1
221.15361	8.2
223.14804	16.0
225.16373	13.5
229.15868	9.3
235.14755	9.1
239.17909	7.4
241.15971	7.1
243.17342	8.2
247.17014	8.9
253.15939	9.1
277.19418	11.9
297.18268	8.5
315.19415	10.8
361.14255	7.3
393.27661	8.1
411.29221	8.0
417.27893	50.0
435.28464	53.1
453.19092	12.2
453.28995	21.6
453.33624	49.8
454.34152	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2998
Annotation	Chabrolobenzoquinone F
Peak:m/z	Relative Intensity
53.04375	1.4
55.05514	10.3
59.04986	1.5
65.03952	1.3
67.05499	12.9
69.03422	2.2
69.07061	5.9
70.01293	3.7
71.04977	1.4
73.86534	1.8
79.05485	8.8
81.07045	21.7
82.07389	1.6
83.04972	6.3
83.08606	3.2
85.06509	1.8
91.05468	12.2
93.07041	21.0
95.04958	6.4
95.08599	35.9
97.06523	4.2
99.08092	2.5
105.07030	22.6
106.07390	1.8
107.08592	19.5
109.06522	4.5
109.10139	9.2
111.04416	3.1
111.08089	9.2
113.06033	2.0
115.05405	2.5
117.07001	6.4
119.08573	22.9
121.06500	5.1
121.10149	11.0
123.08060	28.3
123.11665	2.8
125.09631	19.3
128.06223	3.5
129.07007	7.2
131.08563	17.7
133.10135	16.8
135.08076	5.2
135.11667	5.2
137.05969	8.5
137.09596	4.1
139.07541	2.8
141.07063	7.7
141.09087	6.2
142.07730	7.4
143.08549	17.1
145.10120	20.2
147.08046	5.8
147.11691	9.5
149.09631	3.4
149.13243	2.0
153.07054	2.3
153.09129	1.6
154.07756	2.3
155.08514	15.1
156.09325	6.2
157.10112	27.9
158.10788	1.7
159.08054	2.7
159.11700	25.5
160.12148	1.6
161.09613	8.9
161.13220	6.0
163.11209	3.3
165.06905	3.0
166.07756	2.0
167.08495	4.3
168.09338	4.2
169.10129	19.2
170.10945	2.7
171.11678	18.5
173.09590	5.1
173.13283	10.7
175.11191	6.0
175.14804	3.3
177.12723	2.0
179.08495	3.1
180.09259	2.3
181.10100	13.0
182.10941	4.0
183.08159	2.8
183.11688	22.9
183.13135	2.5
184.12390	1.7
185.09673	7.1
185.13278	14.8
187.11166	4.1
187.14774	5.1
189.12711	6.9
192.09322	2.8
193.10133	8.1
194.10860	4.4
195.11734	18.8
196.12369	4.2
197.09596	3.6
197.13255	18.2
198.13937	3.5
199.11188	4.5
199.14822	10.2
201.12735	5.9
203.14268	2.2
206.10858	2.7
207.11769	7.2
207.13530	1.7
208.12405	4.8
209.13283	15.8
210.13890	2.5
211.11177	4.8
211.14795	18.5
213.12772	6.9
213.16377	6.6
215.14345	3.5
220.12436	2.1
221.13257	9.2
222.13875	1.9
223.11212	2.1
223.14748	12.8
225.12735	4.4
225.16391	6.7
227.14288	4.9
229.15823	6.5
231.11838	2.3
233.13237	3.6
233.15303	2.0
234.13968	2.4
235.14793	8.5
236.15422	1.6
237.12617	3.0
237.16345	10.5
238.17339	1.8
239.14272	12.4
239.17889	4.3
240.92563	1.9
241.15877	6.9
247.14810	3.5
249.16455	4.4
251.14268	2.6
251.17912	3.8
253.15691	3.1
253.19519	6.0
255.17397	3.7
261.16446	3.5
262.17163	1.8
263.14441	1.6
263.17892	4.0
265.15851	4.7
265.19595	3.1
267.17462	2.7
269.18881	2.4
275.18024	3.1
277.16110	2.2
277.19452	8.6
278.20151	2.5
279.17291	4.2
279.21075	2.8
281.18954	3.1
289.19345	1.5
293.18726	2.6
294.23431	1.7
295.17276	2.1
295.20450	10.8
296.21225	2.7
297.18430	5.5
311.20032	2.1
313.21588	3.0
319.20764	1.8
321.22079	2.4
323.20074	7.1
333.22119	2.8
337.21344	1.8
341.21292	7.0
353.20963	2.6
361.21500	4.7
371.84232	1.8
377.24863	9.3
378.25089	2.5
379.22757	5.0
391.26401	3.4
393.27646	10.2
395.25803	2.9
399.26770	2.3
409.27359	5.5
411.28687	2.2
417.27963	22.6
435.28934	100.0
436.29361	11.7
453.29877	37.4
454.30112	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.7
55.05506	23.1
56.82379	2.1
57.03440	3.9
57.07078	5.0
59.04987	4.3
65.03960	2.4
67.05508	40.4
69.03429	4.0
69.07066	24.0
69.11632	2.1
69.11942	20.4
71.04987	3.7
72.17551	1.9
79.05494	23.9
81.07059	53.5
83.04983	17.6
83.08624	9.3
84.21630	2.1
91.05479	36.2
93.07043	58.6
95.04967	13.6
95.08610	84.8
97.06548	6.6
97.10169	3.8
98.23401	5.2
99.04440	2.8
105.04488	3.0
105.07030	65.9
106.07327	2.3
107.08595	65.6
109.06531	10.4
109.10146	34.6
111.04450	8.0
111.08069	15.5
117.06982	15.8
119.06036	2.1
119.08579	67.7
121.06528	9.3
121.10136	40.1
123.08065	45.5
123.11713	11.5
125.09630	30.6
128.06241	8.8
129.07048	12.1
130.73875	2.0
131.08569	34.3
133.06496	6.7
133.10133	44.1
135.08035	12.6
135.11687	19.3
137.09605	10.0
139.07549	6.4
139.11284	2.3
141.07004	8.6
141.09094	7.6
142.07788	13.1
143.08566	36.9
144.09357	3.3
145.06604	3.0
145.10124	53.1
146.10857	2.2
147.08051	8.9
147.11674	28.7
149.09583	8.3
149.13257	7.5
151.11189	5.1
153.07007	3.7
153.09093	3.0
154.07777	2.9
155.08568	22.1
156.09337	12.4
157.10124	53.5
158.10970	2.8
159.08086	6.9
159.11682	50.4
160.12024	2.7
161.09612	18.9
161.13252	21.3
163.11220	7.3
163.14819	4.3
165.07021	4.2
165.12892	2.9
167.08545	6.2
168.09378	7.6
169.10136	30.6
170.10822	7.6
171.08051	6.0
171.11678	39.1
172.08942	3.0
172.12407	2.4
173.09618	8.2
173.13252	24.3
174.13884	2.6
175.11177	14.0
175.14778	12.9
177.09073	2.8
177.12766	3.0
179.08578	8.1
179.10719	4.6
179.14392	2.4
180.09335	6.0
181.10126	14.9
181.11969	2.0
182.10893	5.4
183.11725	32.2
184.12440	4.8
185.09645	7.3
185.13260	24.2
187.11165	8.9
187.14809	14.6
189.12704	16.1
189.16414	7.7
192.09343	4.2
193.10158	12.9
193.12103	4.1
194.10884	7.1
195.11713	23.1
196.12436	6.2
197.09604	4.8
197.13260	28.7
198.13896	2.6
199.11218	7.4
199.14847	22.2
201.12799	8.5
201.16371	11.4
203.14310	6.0
203.17960	4.7
205.15965	2.5
206.10939	4.6
207.11737	12.9
207.13403	2.2
208.12427	6.5
209.13330	16.3
210.14119	2.5
211.11211	7.6
211.14780	19.2
213.12743	7.4
213.16357	13.0
215.14345	7.2
215.17934	3.7
217.15895	12.3
219.11655	5.3
219.13875	4.2
219.17416	2.6
220.12428	4.5
221.13443	12.1
221.15311	4.9
222.13907	5.1
223.11214	3.7
223.14836	18.5
225.12741	4.0
225.16380	9.1
227.14284	6.7
227.17972	4.4
229.15857	12.0
231.17427	6.3
233.13297	5.7
233.15454	3.4
234.13982	4.5
235.11133	2.6
235.14825	8.1
235.16946	4.9
237.12750	4.5
237.16360	12.3
239.10715	3.2
239.14204	13.9
239.17978	7.3
241.15840	9.2
241.19441	2.4
243.13834	2.6
243.17368	4.8
247.14798	4.5
247.16972	4.4
249.16351	8.4
249.18591	2.6
250.17062	2.9
251.14267	6.1
251.17984	10.1
253.15837	3.9
253.19609	10.5
255.13893	2.6
255.17337	6.6
257.15359	3.6
257.18976	4.5
263.14185	3.9
263.17831	4.9
265.15878	5.2
265.19507	4.2
267.17465	2.7
269.15353	2.5
269.18973	3.9
269.22638	2.5
276.18384	2.6
277.15900	4.8
277.19528	10.0
279.17496	6.4
279.20746	2.6
280.18005	2.7
281.19019	4.6
283.17032	3.2
285.18576	2.8
293.19183	4.7
293.22476	5.3
295.16870	6.2
295.20535	11.7
296.21021	3.0
297.18411	7.2
297.22183	3.0
299.20148	3.5
311.20001	2.8
313.18219	3.6
313.21655	3.8
321.18555	4.0
321.22180	4.0
323.19980	11.7
327.23080	4.4
329.24731	8.3
337.21445	2.7
341.21158	9.5
361.21655	6.5
377.24634	7.2
379.22415	3.6
391.26053	3.0
393.27921	9.6
407.33276	4.3
409.27246	4.4
417.28198	21.8
435.28607	100.0
436.29352	10.0
453.28336	23.8
453.33792	32.5
454.34540	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3
Annotation	dihydrocelastrol
Peak:m/z	Relative Intensity
53.03965	4.0
54.29001	3.0
55.01875	3.6
55.05519	19.4
57.03431	2.8
57.07062	6.9
63.32664	2.8
65.03933	3.8
67.05508	41.4
69.07067	29.0
71.04995	5.1
71.08624	2.6
79.05492	28.6
81.07056	58.4
83.04982	12.7
83.08620	12.0
85.06528	5.5
91.05485	36.8
93.07041	71.6
95.04974	6.6
95.08611	100.0
96.08980	2.8
97.06537	7.8
97.10175	6.6
105.07027	80.2
107.08595	81.7
108.08950	3.3
109.06516	11.2
109.10159	40.2
111.04465	4.0
111.08076	13.3
117.07026	17.9
119.08587	79.2
121.06538	9.1
121.10147	45.8
123.08068	22.5
123.11714	25.8
125.05984	4.2
125.09627	11.2
128.06224	6.6
129.06984	13.8
130.07803	3.6
131.08568	56.9
133.06548	5.0
133.10129	53.5
135.08067	15.8
135.11700	23.1
137.09654	3.8
137.13242	4.4
139.07542	10.4
141.07007	9.8
141.09100	7.9
142.07794	14.0
143.08551	57.1
144.09357	3.6
145.10115	73.2
146.10791	2.9
147.08080	10.1
147.11696	42.1
149.09633	9.1
149.13272	12.8
153.09142	6.1
154.07869	3.3
155.08557	29.4
156.09320	13.9
157.10129	73.3
158.10616	3.8
159.08061	6.4
159.11688	78.5
160.12241	4.5
161.09644	22.5
161.13243	27.9
163.07634	5.4
163.11215	9.2
163.14841	6.7
165.09096	3.8
167.08557	6.7
167.10735	8.5
168.09280	4.0
169.10115	39.8
170.10881	10.9
171.11688	55.5
172.12480	3.7
173.09642	10.0
173.13243	34.1
175.11258	13.8
175.14827	12.3
177.09126	3.1
177.12827	5.8
177.16434	4.2
179.08539	3.7
179.10658	4.0
181.10149	8.7
181.12311	4.5
182.10994	8.3
183.11691	34.7
184.12418	5.8
184.92073	3.0
185.09596	5.8
185.13235	22.6
187.11174	9.9
187.14784	25.3
189.12776	11.1
189.16402	11.4
191.10750	4.4
191.14389	5.0
193.10191	4.7
194.11023	4.6
195.11723	21.3
195.13489	3.8
196.12517	2.9
197.13249	53.8
199.11427	3.5
199.14821	31.1
200.15454	4.2
201.09094	3.9
201.12764	6.3
201.16388	15.9
203.10704	7.7
203.14354	9.5
203.18005	11.3
205.12440	3.9
207.11751	5.8
207.13808	4.5
209.13254	20.0
211.11086	5.4
211.14815	33.5
213.12784	5.4
213.16364	31.3
215.14357	7.0
215.17972	12.0
217.12213	5.2
217.15906	10.9
219.13766	4.4
221.13289	7.8
221.15393	5.4
223.14824	8.7
225.16345	15.0
227.14279	4.1
227.18021	6.7
229.15878	7.3
229.19553	5.9
229.36580	3.1
231.17514	8.5
233.15439	6.2
235.14830	7.2
235.16995	7.3
237.16302	7.6
239.14319	4.3
239.17995	13.6
241.12199	3.5
241.19463	4.3
243.13872	4.6
243.17451	5.4
245.15309	4.7
245.19078	3.1
247.16949	12.2
249.16487	4.8
251.17972	8.0
253.15752	4.2
253.19482	27.4
255.17285	4.8
257.15372	11.8
259.16928	5.4
259.20609	3.4
263.18076	4.3
265.16000	4.8
265.19455	6.0
267.17682	3.0
267.21097	14.1
269.22607	8.1
271.17029	3.3
273.18561	7.2
275.20026	7.6
277.19598	7.8
279.17654	3.8
279.21240	3.6
283.17102	3.0
285.18625	5.2
293.19138	6.5
293.22598	3.4
295.20584	22.0
297.22095	5.1
299.20029	5.9
307.20715	3.0
308.24973	3.6
311.20081	10.4
311.23325	3.3
313.21603	39.2
314.22040	3.8
321.22055	5.2
329.24707	4.2
337.25131	3.8
339.23224	3.6
351.23148	5.2
353.24756	5.5
375.26779	3.6
389.28339	3.9
393.27914	33.2
394.28085	3.3
397.23706	6.9
407.29343	82.0
408.29697	8.0
409.30853	19.1
417.27228	17.1
417.32306	6.0
425.34576	3.5
435.27924	48.4
435.33264	17.9
436.29095	5.9
453.29883	53.1
453.34399	24.3
454.29599	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	39.8
58.22752	8.7
67.05505	51.1
67.89194	8.5
69.03438	10.2
69.07066	10.6
69.37557	12.0
69.37962	51.3
71.07846	8.1
79.05500	34.7
81.07066	55.1
83.04976	38.8
84.89867	8.1
91.05484	41.4
93.07059	66.4
95.04980	22.4
95.08607	97.9
97.02902	8.3
97.06493	11.1
98.22561	10.2
99.74402	8.8
101.96770	9.0
105.07014	67.1
107.08596	51.5
109.06525	13.0
109.10170	25.3
111.04409	9.2
111.08080	21.7
117.07049	21.7
119.08575	73.9
119.23758	8.4
121.06542	12.8
121.10143	34.4
123.08092	30.0
123.11693	14.0
125.09676	10.6
128.06271	19.6
129.07004	30.8
130.07814	10.0
131.08575	48.9
133.10133	38.2
135.08080	14.5
135.11707	21.4
141.07028	14.6
142.07790	18.1
143.08568	60.6
145.10114	100.0
147.08081	14.4
147.11708	18.5
149.09605	17.4
155.08557	33.4
156.09267	16.3
157.10123	56.3
159.11714	54.3
161.09630	27.7
161.13254	24.5
165.07004	11.6
166.07765	11.2
167.08575	23.5
168.09331	12.4
169.10135	40.3
170.10826	13.2
171.11665	52.5
173.09726	16.8
173.13292	23.7
175.11205	18.3
179.08600	25.6
180.09340	17.6
181.10132	38.3
182.10809	25.7
183.11743	57.2
185.09641	12.6
185.13261	39.9
187.11176	14.2
187.14851	13.2
189.12793	15.2
193.10115	33.7
194.10825	11.1
195.11711	54.8
197.13249	70.0
199.11128	18.4
199.14935	21.6
201.16353	10.9
206.10999	13.3
207.11711	36.4
207.13651	8.8
208.12343	15.7
209.13226	56.5
211.14719	45.8
213.12848	13.8
213.16347	12.7
219.11739	14.8
220.12413	15.1
221.13286	36.7
222.13908	17.7
223.11215	12.2
223.14841	44.8
225.16417	17.0
227.14278	12.3
232.12117	8.3
235.14781	25.7
237.12695	13.5
237.16394	33.0
239.14410	15.6
241.15869	21.2
249.16368	17.5
251.17905	51.5
253.15837	10.8
253.19609	12.1
255.13928	11.6
255.17519	12.3
265.15836	10.1
277.15976	10.4
277.19452	20.1
291.21085	12.5
293.18918	8.6
295.16910	18.3
295.20554	16.2
297.18683	9.8
321.18250	9.6
342.61124	9.6
365.24487	9.3
377.24762	79.1
379.22958	9.1
389.24725	11.9
391.26428	35.1
393.27689	15.9
417.23141	13.7
417.28610	49.4
435.29572	88.4
453.29852	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	8.4
57.07065	3.9
59.04992	5.9
61.66794	1.9
65.03919	2.8
67.05500	18.8
69.07045	9.2
71.30820	2.8
79.05502	15.5
81.07050	28.2
83.04987	7.2
83.08591	2.1
85.06531	2.7
91.05484	24.1
93.07039	27.7
95.04977	6.3
95.08610	50.1
97.06523	4.2
97.10174	2.2
99.04483	1.9
105.07025	41.2
107.08593	31.0
108.08891	1.9
109.06493	4.5
109.10145	22.8
111.08064	10.9
113.09644	2.7
117.07025	8.2
119.08587	38.6
121.06561	4.3
121.10132	22.4
123.08076	19.0
123.11725	7.8
125.09628	5.1
128.01733	2.0
128.06233	2.1
129.06989	9.8
130.07805	3.5
131.08566	23.2
131.79825	1.8
133.06508	2.7
133.10135	27.0
135.08061	4.7
135.11694	15.9
137.09575	4.4
141.06973	3.4
141.09048	3.1
142.07829	3.5
143.08560	14.0
145.10127	31.2
147.08025	5.1
147.11685	24.1
149.09619	4.8
149.13306	3.4
155.08504	8.8
156.09351	5.4
157.10127	21.2
159.11690	27.9
160.12135	1.9
161.09599	7.9
161.13266	49.1
163.11195	4.9
163.14740	3.6
167.08574	4.1
169.10133	12.0
170.10904	2.3
171.11670	16.2
173.09625	5.8
173.13249	18.1
175.11188	6.6
175.14873	10.7
177.12752	4.5
177.16420	3.1
181.10120	7.9
183.11681	12.9
185.09688	3.4
185.13223	12.1
187.11147	3.1
187.14827	10.1
189.12778	6.0
189.16411	7.8
191.14334	5.5
193.10143	4.5
195.11736	8.2
196.12271	2.0
197.13254	13.9
199.11172	3.5
199.14758	11.0
201.12675	4.5
201.16420	16.4
203.14307	3.3
207.11696	7.6
208.12599	2.7
209.13261	9.8
211.11267	3.3
211.14793	9.4
213.12756	3.8
213.16379	8.0
215.14308	6.7
215.17932	3.5
217.15938	4.7
219.11795	2.2
219.17413	17.7
220.12486	2.6
221.13315	4.5
221.15395	2.8
223.14783	7.2
225.16379	6.5
227.14374	4.0
229.15790	6.4
231.52782	2.1
233.15407	3.1
235.14815	5.3
235.17000	3.0
237.16290	5.7
239.14268	6.2
239.18025	5.0
241.15988	4.7
247.16963	3.0
249.16362	3.4
253.15776	2.6
253.19566	7.3
255.17508	4.6
257.18939	2.6
263.18027	2.4
267.17523	4.4
267.20712	2.5
277.19489	3.6
279.20963	2.2
281.19089	4.8
293.19324	2.0
295.20569	6.0
296.21216	3.1
297.18591	2.4
309.22107	2.5
313.21841	3.1
321.21964	2.6
325.25146	4.2
337.25079	1.9
377.24448	3.8
393.27759	6.4
407.33426	2.5
411.28830	2.8
417.27808	6.8
435.28635	100.0
436.28909	9.8
453.29047	20.0
454.30487	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.3
58.92497	1.0
66.75675	1.1
70.96900	2.0
71.08662	1.1
72.30579	1.2
77.89017	1.2
79.05516	1.3
81.07061	3.4
93.07021	2.5
95.08610	2.8
105.07031	1.8
107.08593	2.0
109.10174	2.2
119.08592	2.2
119.22741	1.0
133.08629	1.3
133.10124	2.5
147.11684	1.5
157.10164	1.0
159.11632	2.1
187.03661	100.0
188.04071	4.0
217.52603	1.2
228.06378	2.3
407.32779	1.2
435.32675	2.0
453.33405	40.0
454.33871	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59607	0.5
60.43301	0.6
67.05493	0.7
70.96865	1.0
70.97230	0.6
78.32107	0.5
81.07043	1.3
83.43564	0.5
88.30231	0.5
89.18439	0.6
90.35081	0.5
91.05458	0.5
93.07004	0.6
95.08596	1.0
100.11211	0.7
105.07028	1.2
107.08557	0.9
109.10126	1.1
119.08566	0.7
121.10141	0.9
121.15883	0.6
124.13988	0.5
133.08606	0.7
133.10115	0.8
145.10172	0.6
157.10060	0.7
187.03667	100.0
187.14709	0.5
188.03996	2.7
197.37337	0.5
205.04729	0.7
213.16264	0.5
228.06264	2.8
249.08792	0.6
288.98041	0.7
289.16516	0.5
435.32706	1.4
453.33411	34.2
454.33643	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3361
Annotation	Stellettin J
Peak:m/z	Relative Intensity
51.63372	1.8
53.03954	3.9
54.36086	1.8
55.01869	3.9
55.05508	22.8
57.07067	6.4
63.81546	2.2
65.03931	5.9
67.05505	46.9
69.03416	3.5
69.04279	2.5
69.07067	26.6
71.04971	3.4
71.29929	3.6
79.05489	24.8
81.07063	72.0
83.04993	13.1
83.08629	13.2
85.06526	3.6
89.29087	2.0
91.05482	34.8
93.07045	65.7
94.07386	2.5
95.04970	12.3
95.08607	97.9
96.01221	2.3
97.06539	11.0
97.10155	5.5
99.04418	2.5
101.09638	3.1
103.05497	2.5
104.06911	2.3
105.07034	70.9
106.07330	2.6
107.08595	84.4
108.08952	2.7
109.06501	11.5
109.10162	50.4
111.04438	3.7
111.08073	9.3
111.51038	2.5
115.05455	3.8
117.07005	12.5
119.08580	91.4
120.08920	2.5
121.06496	10.1
121.10138	65.0
123.08070	31.4
123.11706	21.0
125.09622	24.9
127.07522	2.2
129.07011	8.4
130.07716	3.0
131.08569	36.1
133.06505	5.0
133.10133	71.8
135.08049	15.3
135.11681	31.0
137.09608	9.9
137.13234	7.4
139.07524	5.7
141.06981	5.6
141.09094	4.8
142.07828	10.6
143.08553	31.3
144.09294	4.1
145.06436	3.3
145.10127	53.6
146.10529	3.7
147.08052	13.1
147.11681	39.5
149.09654	12.2
149.13245	12.8
151.11211	4.3
151.14812	2.1
153.07062	3.4
153.09102	7.2
155.08508	12.2
156.09344	10.8
157.10139	40.4
158.10707	3.3
159.08064	7.4
159.11687	51.2
160.12405	3.7
161.09630	27.4
161.13278	31.0
163.11139	10.9
163.14799	10.3
165.06964	4.1
165.09088	5.0
167.08582	5.2
167.10751	4.8
168.09348	5.1
169.10097	19.7
170.10846	4.2
171.08107	3.5
171.11705	31.9
172.12373	2.9
173.09625	9.7
173.13260	32.8
174.13593	3.2
175.11174	21.3
175.14822	16.9
177.09056	2.5
177.12692	6.5
177.16391	7.1
179.08530	4.0
179.10681	6.1
180.09386	2.4
181.10117	9.9
181.12225	3.7
182.10963	3.5
183.07970	2.5
183.11676	20.2
184.12195	3.0
185.09637	4.9
185.13275	19.2
186.13837	2.1
187.11172	9.1
187.14839	20.7
189.12762	9.5
189.16399	15.5
191.14305	5.5
193.10141	4.2
193.12238	4.0
194.10883	4.6
195.11693	10.4
195.13617	3.5
196.12402	3.8
197.09669	3.6
197.13229	17.9
198.13870	5.3
199.11145	5.0
199.14830	26.4
201.12729	9.9
201.16345	14.4
203.14359	17.6
203.17967	7.1
205.11990	2.6
205.15822	7.4
206.10980	2.7
207.11739	5.3
207.13698	2.9
209.13225	14.0
209.15352	8.6
211.11252	3.1
211.14856	12.8
213.12805	5.0
213.16348	14.8
215.14290	8.0
215.17909	6.9
217.15898	18.7
219.11673	3.8
219.13808	4.4
219.17519	6.2
220.12422	3.8
221.13277	5.9
221.15396	9.7
223.14732	6.0
225.16397	7.5
227.14348	4.8
227.17889	5.5
229.15825	11.1
229.19518	3.6
231.17419	12.8
233.13240	4.0
233.15337	7.2
235.14847	4.5
235.16884	15.6
236.15442	3.0
237.12738	4.3
237.16394	6.8
239.14299	7.7
239.17877	6.7
241.15845	6.2
241.19514	3.4
243.17409	5.8
247.16985	4.2
249.16411	4.4
251.18001	4.4
253.16090	2.7
253.19455	4.0
257.15509	2.5
257.18967	4.1
259.17020	3.2
265.15915	2.5
265.19434	2.9
267.17178	2.5
267.21075	3.1
273.18719	3.1
277.19427	5.3
281.15268	2.3
295.16855	5.0
295.20422	4.8
297.18417	5.4
299.20032	3.3
309.22055	3.1
311.23566	5.7
313.21609	2.8
325.25452	3.0
327.23056	4.9
329.21661	2.3
329.24817	20.0
333.21793	2.6
339.27133	3.0
355.26285	5.0
357.27811	3.7
373.04691	2.3
377.24591	4.2
389.32068	3.4
393.27704	5.3
407.33401	11.7
417.23505	4.8
417.32327	10.3
425.34232	6.0
435.27197	16.6
435.32614	41.1
436.33054	5.5
453.33990	100.0
454.34247	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3363
Annotation	Stellettin J
Peak:m/z	Relative Intensity
51.02380	1.9
53.03939	3.3
55.05505	14.7
56.61473	1.5
57.07069	3.9
59.04997	11.0
65.03938	3.9
67.05501	44.7
69.07067	15.7
71.05000	3.0
77.89696	1.6
79.05480	20.1
81.07053	52.6
83.04972	4.3
83.08619	4.6
89.37173	1.6
91.05479	33.7
91.68281	1.8
93.07043	43.3
94.07404	2.5
95.04967	7.5
95.08606	95.0
96.08953	2.5
97.06522	7.7
97.10152	2.6
98.22598	2.9
99.08085	1.8
103.05463	2.0
103.62538	2.0
105.04537	2.0
105.07029	72.8
106.07298	2.0
107.07851	2.8
107.08591	54.0
109.06523	5.7
109.10156	32.4
111.08083	19.9
113.06029	2.3
113.09641	7.2
115.05447	1.7
117.07014	13.8
119.08576	60.6
120.08894	3.7
121.06510	5.0
121.10139	43.3
123.08060	16.0
123.11697	13.8
125.09625	6.1
128.06273	2.9
129.06090	1.7
129.07014	7.4
130.07889	2.0
131.08565	26.2
133.10121	54.0
135.08035	5.6
135.11696	25.9
137.09659	4.7
139.07565	3.0
139.11183	2.9
141.06987	2.7
141.09106	3.5
142.07826	3.0
143.08559	16.5
144.09328	3.5
145.10124	42.7
147.08055	3.2
147.11682	35.9
149.09593	5.7
149.13248	12.2
151.11192	3.0
155.08546	6.9
156.09286	4.1
157.10123	19.5
158.10887	3.2
159.08086	1.9
159.11697	45.7
161.09653	13.9
161.13248	100.0
162.13614	3.5
163.11211	9.2
163.14807	5.0
165.12781	2.5
169.10051	9.1
170.10854	3.9
171.11676	16.4
173.09645	2.7
173.13252	28.4
174.13591	3.2
175.11211	10.1
175.14819	26.6
177.12769	11.5
177.16388	7.6
181.10207	4.3
182.10861	2.4
183.11720	9.4
185.13260	13.4
187.11188	3.7
187.14845	15.1
189.12767	7.3
189.16328	12.5
191.14342	13.1
193.15807	3.2
195.11687	4.8
197.13234	8.7
199.11108	2.2
199.14795	14.9
201.12691	4.7
201.16393	26.9
203.14331	6.0
203.17909	3.1
205.15849	5.8
208.12494	2.2
209.13284	5.0
211.14807	5.6
213.16273	10.7
215.14395	6.7
215.17909	3.5
217.15891	13.9
219.13985	2.0
219.17413	34.1
221.13217	2.6
221.15329	4.4
223.14787	3.7
225.16389	6.8
229.15848	4.9
231.17424	6.0
233.15343	3.9
235.16977	8.7
237.16328	3.8
239.17912	4.9
243.17419	2.6
247.16942	6.1
247.20529	2.0
253.19598	3.2
255.17484	3.5
255.21074	2.1
257.18939	2.1
267.21030	2.7
295.20758	2.6
309.22092	2.3
311.23663	4.6
313.25217	2.4
321.22006	2.0
325.25156	4.8
337.25214	2.2
339.26703	3.6
367.26462	1.8
379.29984	4.4
393.27734	4.2
395.29745	2.2
407.33383	9.4
417.31549	9.8
435.28711	30.5
435.32935	22.2
436.29150	5.1
453.17380	5.5
453.34222	30.0
454.34390	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3363
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03940	4.7
55.05514	18.0
57.07069	4.7
67.05505	36.6
69.04221	2.4
69.07059	24.7
69.55971	9.5
69.56377	3.5
71.08612	3.7
79.05492	26.5
81.07056	76.4
83.04983	5.5
83.08594	18.5
85.02848	2.4
85.06539	3.0
89.06036	6.7
91.05473	31.4
93.07042	71.2
95.04960	12.1
95.08603	95.4
97.06527	13.2
97.10155	8.0
98.23296	5.6
101.05983	3.0
105.07027	69.2
107.07858	4.4
107.08591	84.0
109.06515	8.2
109.10158	62.2
111.04414	3.5
111.08075	5.3
117.07005	11.2
119.08575	88.1
119.09432	4.3
121.06509	7.6
121.10135	62.7
123.08080	20.7
123.11714	22.6
125.09596	15.2
128.06215	2.9
129.06972	6.8
131.08569	28.3
133.10130	58.7
134.10332	3.0
135.08043	16.9
135.11684	33.8
137.09610	5.5
137.13248	5.4
141.09088	3.4
142.07767	3.4
143.08583	15.9
145.10123	46.0
147.08093	14.8
147.11687	44.2
149.09631	14.5
149.13251	20.5
151.11180	4.7
153.09099	8.2
155.08546	8.1
156.09358	3.0
157.10121	30.8
159.08009	6.2
159.11693	44.3
161.09616	22.8
161.13261	35.8
163.11203	10.4
163.14836	7.9
165.09099	5.8
165.12744	3.9
169.10144	8.3
171.08226	2.8
171.11687	22.8
173.09624	10.9
173.13252	32.8
175.11188	20.5
175.14810	22.7
177.12679	6.2
177.16335	5.9
179.10747	3.6
181.10136	4.4
181.12230	4.8
183.11684	10.1
185.09689	4.2
185.13214	18.6
187.11188	5.4
187.14828	18.6
189.12721	8.8
189.16362	21.0
191.14340	6.5
193.12177	4.2
195.11632	7.3
195.13475	4.9
197.13214	12.9
199.14867	20.7
201.12758	13.9
201.16367	18.8
203.14334	13.5
203.17918	6.5
205.15935	5.8
209.13232	5.7
209.15176	4.0
211.14836	10.6
213.12804	5.1
213.16412	15.7
215.14383	14.8
215.17967	5.0
217.15892	19.9
219.13753	4.4
219.17406	7.4
221.15419	7.9
223.14737	2.8
225.16383	7.4
227.18013	7.3
229.15868	12.8
231.17435	13.6
235.14850	3.2
235.16957	9.5
237.16388	3.4
239.14752	4.9
239.17897	2.8
241.15887	3.0
241.19485	2.6
243.17444	6.5
245.19080	4.5
247.16948	5.2
249.18459	5.7
251.17941	3.3
265.19592	4.0
267.21130	3.0
269.18945	5.7
271.20636	3.7
297.22104	3.1
301.21561	3.3
311.23697	6.9
314.83554	2.8
327.23108	2.9
329.24826	16.8
337.25235	3.6
339.26932	3.2
355.26102	6.5
357.27979	3.7
389.32172	4.2
393.27505	4.1
401.12918	3.1
407.33124	10.1
417.31461	22.4
425.34177	9.3
435.32681	64.4
453.33600	100.0
454.34088	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3366
Annotation	Supinenolone D
Peak:m/z	Relative Intensity
53.03937	2.4
54.34987	1.3
55.05510	24.2
57.07071	3.1
61.36877	1.2
65.03951	2.1
67.05505	31.9
69.03416	1.3
69.07068	15.8
70.01727	4.6
71.08654	1.5
73.06573	3.0
77.03941	1.4
79.05502	12.6
81.07055	27.1
83.04993	2.8
83.08606	6.6
85.06546	3.2
86.90492	1.5
87.22111	1.3
87.61020	1.2
91.05470	13.5
92.42683	1.3
93.07043	28.2
95.04982	3.0
95.08605	100.0
96.08926	2.7
97.06544	4.6
97.10192	4.3
97.82477	1.2
105.07032	17.5
107.08594	35.1
107.09270	2.9
108.08979	2.5
109.06534	3.7
109.10152	15.4
111.08085	2.2
115.07575	6.5
117.07039	4.2
119.06155	1.1
119.08575	22.0
119.09325	1.7
120.09019	1.5
121.06532	2.5
121.10149	22.2
123.08064	6.3
123.11699	6.6
123.14703	1.3
125.09669	4.2
129.07039	3.2
129.09128	2.8
131.08553	11.3
133.10135	13.7
133.10921	1.4
135.08112	3.0
135.11705	10.1
137.09650	4.4
137.13310	3.7
139.11244	1.6
140.65970	1.2
141.07021	1.8
141.09151	1.7
142.07816	2.1
143.08556	9.3
144.09387	1.7
145.10126	15.3
146.10582	1.5
147.08058	2.7
147.11665	10.3
149.09653	4.0
149.13310	5.8
151.11220	2.6
155.08621	3.8
156.09435	3.2
157.10126	15.0
158.10896	1.4
159.08116	3.0
159.11699	14.1
161.09641	6.1
161.13257	6.9
163.11192	2.9
163.14824	26.9
165.12779	2.5
169.10114	7.1
171.11678	12.3
173.09647	3.1
173.13217	8.5
175.11223	3.9
175.14883	3.2
177.12790	2.0
179.08601	1.6
181.10172	3.6
183.11696	9.0
184.12390	1.8
185.09729	1.9
185.13251	7.7
187.11230	3.7
187.14903	4.3
189.12823	3.6
189.16360	1.4
195.11772	4.5
196.12308	2.3
197.13228	6.9
198.13969	2.1
199.11276	3.0
199.14919	5.2
201.12781	4.3
201.16359	2.9
203.14413	3.5
207.11681	3.4
208.12257	1.8
209.13358	5.4
211.14906	5.2
213.12837	3.8
213.16434	3.8
215.14433	3.0
215.18002	2.0
217.15919	2.9
219.13919	1.9
221.13356	2.9
221.15363	1.6
222.13689	2.0
223.11311	1.5
223.14856	5.0
225.16486	4.3
227.14430	3.8
227.17831	2.9
229.12306	1.6
231.17471	1.8
233.15428	2.8
235.14857	1.5
237.12799	1.5
237.16493	3.3
239.17978	2.9
241.16032	2.2
243.17397	1.5
245.15303	2.2
247.17108	1.7
249.16414	1.8
251.18085	3.2
253.19635	1.9
255.17546	2.3
263.18011	2.6
265.19638	1.4
267.17395	2.2
267.21191	2.1
269.19131	3.6
278.20041	1.9
283.17203	1.4
283.20734	1.5
285.18628	3.1
289.18286	1.4
297.22296	1.7
301.21844	3.8
311.23721	2.0
321.22208	1.7
321.46164	1.5
323.23792	2.5
325.21881	1.6
329.24899	2.1
339.23297	2.7
343.22757	1.5
353.24854	3.7
357.24265	2.1
371.26080	1.4
385.27499	2.5
397.27563	2.1
403.30005	4.5
418.28046	11.6
421.31052	6.4
435.32767	5.1
436.28973	2.4
453.35403	82.2
454.35809	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.336
Annotation	Supinenolone D
Peak:m/z	Relative Intensity
53.03950	4.5
53.56729	1.6
55.01863	3.1
55.05513	36.0
57.07082	4.4
59.05005	1.9
65.03944	2.7
66.17058	1.7
67.05510	33.8
69.03446	3.1
69.06721	3.1
69.07067	34.1
71.04977	6.5
71.08617	1.9
73.06566	13.5
73.08034	1.8
79.05498	28.5
81.07063	53.5
83.04970	6.6
83.08625	20.5
85.06531	7.7
87.04488	2.0
89.06036	5.0
91.04955	3.3
91.05485	37.2
93.06466	3.3
93.07046	58.6
95.04990	2.9
95.08610	81.9
97.06525	6.2
97.10173	4.2
99.08097	7.6
105.07035	55.0
107.08598	83.4
108.01662	1.8
108.08948	2.2
109.06532	9.9
109.10163	38.2
111.08084	17.5
115.05421	2.1
115.07570	24.9
117.07027	12.0
119.08578	71.2
119.09444	3.6
119.55343	1.7
121.10146	61.7
122.10625	1.9
123.08071	6.5
123.11716	15.9
125.09633	7.0
125.41709	1.8
128.06232	3.5
129.07016	7.9
129.09146	4.1
130.07784	2.6
131.08566	40.8
133.08580	2.3
133.10135	55.7
134.70340	1.6
135.08038	4.3
135.11696	21.2
137.09624	7.2
141.09105	2.3
142.07843	2.7
143.08562	24.2
143.10719	2.5
144.09372	4.5
145.09009	3.4
145.10129	56.0
146.10414	1.6
147.08069	3.0
147.11716	35.0
149.09622	16.3
149.13272	8.6
151.11115	8.5
155.08572	6.1
155.10660	2.2
156.09351	4.8
157.10124	42.8
158.10829	2.9
159.08049	8.0
159.11699	66.9
160.12114	2.2
160.91727	1.6
161.09607	5.9
161.13251	26.4
163.11226	10.7
163.14827	3.2
165.07050	2.3
165.12746	2.8
169.10120	14.8
170.10881	3.7
171.08119	2.0
171.11691	48.6
172.12288	3.3
173.09608	15.0
173.13261	40.0
174.13676	2.9
175.11143	9.5
175.14963	10.1
175.16180	1.8
177.12756	5.5
181.10173	4.2
181.12231	12.1
182.10843	2.8
183.11684	19.4
185.09602	3.2
185.13248	32.6
187.11198	16.7
187.14835	22.4
189.12790	5.0
189.16409	6.0
191.14276	3.1
193.12282	2.0
194.10930	1.7
195.11728	9.2
195.13823	6.8
196.12372	3.3
197.13240	14.3
199.11229	5.7
199.14806	18.1
200.15552	1.6
201.12778	8.0
201.16327	9.4
203.14294	4.1
205.12332	3.8
207.11748	1.9
207.13692	2.4
208.12489	2.0
209.13330	8.8
209.15102	2.2
211.11246	3.9
211.14777	12.2
213.12840	9.9
213.16331	21.6
215.14330	7.8
215.17972	4.2
217.12259	2.2
217.15875	3.4
219.13808	3.2
221.13281	2.8
223.14809	8.4
225.16426	5.9
227.14363	9.7
227.17831	9.8
229.15874	6.5
233.15340	7.2
235.14734	2.3
237.16377	8.8
239.14452	2.4
239.17963	4.0
241.15903	6.2
241.19572	6.8
243.17513	3.8
245.15344	3.1
247.16830	3.9
251.18047	4.1
251.43680	2.1
253.15768	2.4
253.19490	3.2
255.17537	8.9
255.21376	2.4
256.18039	2.0
257.15076	2.3
257.19043	3.7
259.16895	3.3
259.20584	3.7
259.80450	1.9
261.18506	5.4
263.17950	2.4
265.19522	4.1
267.17499	3.7
269.19009	6.7
271.20526	19.1
273.22125	2.4
277.19321	2.1
279.21075	2.6
283.20471	8.6
285.22150	6.0
287.20169	14.2
291.21069	2.1
293.22513	2.4
295.20422	2.7
297.19089	2.1
297.21939	9.7
301.21680	4.1
309.22034	3.3
311.23645	6.1
321.22147	2.4
323.23587	3.0
325.25198	7.3
333.22202	2.0
337.25186	5.4
339.23260	2.2
339.26871	3.4
351.26840	2.9
361.25174	3.1
369.24280	2.2
371.25806	17.4
375.26593	2.5
377.28098	2.6
379.26251	28.9
379.30200	6.2
380.26379	3.8
385.28506	2.8
393.19797	1.9
393.27441	2.6
397.27438	4.8
403.29922	19.2
411.28995	2.3
421.31000	31.4
422.31256	3.9
435.32596	5.6
453.33588	100.0
454.33954	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3363
Annotation	Stellettin J
Peak:m/z	Relative Intensity
50.50469	2.8
52.61009	2.6
55.05510	11.4
57.07073	5.5
65.03951	2.9
67.05504	26.0
69.07059	14.7
71.04976	3.8
79.05489	25.1
81.07061	46.9
83.08655	5.0
83.10357	3.2
85.41217	3.4
89.06030	24.7
91.05478	17.2
93.07053	42.5
95.04969	7.4
95.08609	68.2
97.06527	9.8
97.10163	7.5
100.51263	3.0
105.07029	45.2
107.08587	55.7
109.06522	9.4
109.10159	41.1
109.10902	4.3
109.48720	3.4
111.08126	4.3
117.07031	7.6
119.08578	56.7
121.06541	6.3
121.10138	39.9
123.08085	9.9
123.11717	11.7
125.09620	10.1
131.08575	15.5
133.08630	14.9
133.10136	38.8
134.09007	3.7
135.08066	8.7
135.11711	16.6
143.08578	13.8
145.10117	30.6
147.08089	4.9
147.11702	19.8
149.09621	7.2
149.13297	10.3
151.11195	4.3
157.10129	17.0
159.08078	3.4
159.11717	26.2
161.09653	11.8
161.13252	22.5
163.11218	5.7
163.14883	7.5
165.09135	5.1
166.50851	3.3
167.10733	4.4
169.10114	5.4
171.11688	16.9
173.13295	19.5
175.11218	11.9
175.14828	12.4
177.11339	3.5
177.16478	5.0
185.13312	11.8
187.11238	5.3
187.14877	14.1
189.12708	4.9
189.16446	8.1
191.14246	5.0
199.14816	16.3
201.12680	5.3
201.16357	7.6
203.14365	10.0
203.17996	4.1
209.13280	4.8
211.14841	4.4
213.12761	3.5
213.16435	11.6
215.14418	7.8
215.17935	5.2
217.15849	14.6
219.17450	3.5
221.15382	20.4
229.15999	7.6
231.17499	8.4
233.15443	4.9
235.16968	6.9
239.14888	10.7
240.15230	10.9
243.17319	4.2
247.17032	8.7
257.18686	3.3
258.75424	3.3
287.20016	3.9
311.23676	4.2
329.24884	14.3
339.26624	3.5
369.27094	3.8
393.27762	3.5
407.33145	9.2
417.31479	15.4
435.32657	57.4
436.32831	7.0
453.33679	100.0
454.33926	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51938	0.9
53.03940	1.6
55.01868	1.0
55.05270	1.6
55.05513	19.8
55.05763	1.7
57.07072	2.6
58.34512	0.8
58.69661	0.8
59.13804	0.8
62.15530	0.8
62.23481	0.8
63.56592	0.8
64.63400	0.9
65.03941	2.1
67.05505	34.7
69.04823	6.4
69.05239	1.9
69.07069	16.9
73.06557	3.6
76.01053	1.0
79.05493	10.3
80.06331	0.8
81.07059	25.1
81.07520	1.5
83.04980	2.4
83.08621	6.7
85.06551	1.2
91.05470	12.2
91.05988	0.9
91.99071	0.9
93.07043	26.5
93.07624	1.4
95.04993	2.2
95.08606	98.7
96.08926	2.2
97.06547	3.9
97.10175	3.2
98.23360	1.7
99.08088	1.3
100.11318	1.0
103.13602	0.9
105.07030	15.8
107.08594	31.3
108.43256	1.0
109.06533	3.8
109.10155	9.7
111.08125	2.8
115.07573	7.4
117.07030	3.7
119.08582	16.1
121.06497	1.6
121.10141	22.3
123.08043	4.6
123.11683	6.8
125.09647	1.3
129.07056	2.8
129.09148	2.2
131.08554	8.4
133.06528	1.2
133.10129	13.1
135.08080	2.6
135.11674	8.2
137.09644	1.9
137.13284	2.5
139.11205	1.4
142.07793	2.2
143.08553	4.7
144.09311	1.1
145.10115	14.4
147.08064	2.2
147.11665	7.5
149.09592	4.3
149.13332	2.5
155.08574	2.5
156.09326	2.4
157.10127	11.2
158.10925	1.2
159.08066	2.8
159.11690	11.7
161.09604	7.3
161.13260	4.8
163.11238	3.1
163.14809	28.5
164.15204	1.2
165.12762	1.4
168.09425	1.6
169.10088	4.7
170.10884	1.1
171.08150	1.8
171.11646	10.3
172.08838	1.0
173.09576	4.8
173.13242	9.1
175.11249	3.7
175.14909	2.9
177.12807	2.0
177.16351	2.0
180.09412	1.0
181.10176	2.9
181.12299	1.0
182.10913	1.1
183.11755	6.7
185.09633	1.9
185.13261	8.8
187.11192	4.2
187.14868	3.2
189.12810	2.6
189.16409	1.1
191.07294	1.0
191.14336	1.6
191.17989	1.1
193.10162	1.6
193.12244	1.1
195.11783	4.2
196.12366	1.2
197.13266	5.5
199.11272	3.1
199.14859	4.9
200.15152	1.0
201.12839	3.2
201.16460	3.5
203.14417	3.2
203.18008	1.4
205.12167	1.2
206.10904	1.2
207.11757	2.4
207.13779	1.0
208.12657	1.0
209.13300	4.3
211.14859	5.6
213.12840	3.2
213.16508	4.0
215.14400	2.8
215.17885	1.6
217.15872	1.3
221.13319	1.4
223.14946	3.8
224.15546	0.9
225.12871	1.4
225.16406	3.8
227.14372	3.0
227.17973	2.7
229.12366	1.0
229.15936	2.4
231.13879	1.5
231.17563	1.5
233.13155	1.1
233.15326	1.7
235.14767	1.3
235.16995	1.4
237.16438	3.0
239.14328	2.4
239.18019	3.4
241.15906	2.5
241.19568	0.9
243.13802	1.3
243.17581	2.8
245.15479	1.7
247.17110	1.0
249.16443	1.6
251.18037	3.0
253.15909	2.2
253.19531	1.8
255.17516	2.8
255.21352	1.0
257.15402	1.7
257.19052	1.6
259.16891	1.4
263.18100	2.0
265.15955	1.8
265.19577	1.7
267.17496	2.1
269.19150	3.1
271.17160	1.2
271.20670	1.5
279.17749	1.2
279.21078	1.4
281.19370	1.2
283.17093	1.4
283.20737	1.5
285.18588	3.2
293.19141	1.3
295.20667	2.0
297.22263	1.2
301.21539	4.7
311.20209	1.0
311.23633	1.7
313.21805	1.3
317.21176	1.8
318.52240	1.0
319.24457	1.5
321.22284	1.3
325.21814	1.7
329.24857	2.4
339.23245	1.9
340.36368	1.1
353.24710	2.8
355.26566	1.1
357.24216	2.8
367.26599	1.4
371.25882	1.9
379.26025	1.2
385.27612	2.4
397.27499	1.9
403.29974	2.4
421.31061	5.2
435.32825	4.5
453.35422	100.0
454.35687	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.8
57.07082	1.8
67.05499	7.1
69.03426	1.0
69.07064	6.1
70.35454	2.6
71.04965	1.0
77.03953	0.9
79.05500	8.7
81.07057	16.4
83.05014	1.0
83.08629	2.4
89.06023	0.8
91.05469	7.1
91.17562	0.9
93.07048	15.0
95.04992	3.3
95.08605	23.2
97.06544	2.8
97.10193	1.5
98.23341	1.1
98.65715	1.0
99.04495	1.1
105.07036	17.2
107.08595	22.9
107.09274	1.4
108.08957	1.2
109.06529	1.6
109.10160	10.9
111.08109	2.1
115.05432	0.8
117.07049	2.5
119.08580	18.0
121.06516	2.1
121.10142	17.4
123.08120	2.6
123.11694	7.8
125.09655	3.3
129.07022	1.9
131.08578	6.4
133.06628	1.3
133.10124	16.9
133.11044	1.1
135.08063	2.6
135.11713	8.7
137.13251	2.4
138.62308	1.0
142.07756	1.6
143.08546	4.8
145.10114	10.7
147.08049	1.3
147.11691	12.2
149.09677	2.7
149.13321	2.2
155.08569	1.4
156.09320	1.0
157.10144	7.3
159.07996	1.0
159.11678	9.3
161.09616	4.1
161.13266	9.3
163.11261	2.4
163.14864	2.2
167.10606	1.6
169.10178	2.5
171.11699	4.8
173.09653	1.1
173.13281	5.7
175.11218	4.4
175.14879	3.4
177.12863	2.0
177.16466	1.6
183.11740	2.1
185.13321	3.6
187.11266	1.6
187.14815	6.2
189.12779	2.1
189.16432	4.8
191.14369	1.2
195.11806	1.3
195.13751	1.3
197.13332	2.7
199.14815	5.4
201.12721	1.4
201.16444	2.9
203.14404	3.4
203.18011	2.2
205.15932	3.1
211.14873	1.8
213.16455	5.1
215.14349	2.0
215.18016	1.7
217.15985	4.0
219.17578	2.3
221.15398	2.1
223.14928	1.1
225.16560	0.9
227.17976	1.5
229.15971	2.3
231.17557	3.3
233.15259	2.0
235.16934	2.2
241.19670	1.1
242.00052	0.9
247.17033	2.0
249.18523	1.7
259.20627	0.9
269.22714	1.1
271.20422	1.2
288.51440	1.0
311.23752	2.7
329.24887	2.8
355.26422	1.3
357.27927	1.1
407.33270	3.7
416.29831	1.0
417.31784	2.3
435.32574	12.4
436.33160	1.4
453.35464	100.0
454.35791	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.05518	25.4
57.07076	11.7
59.04991	3.1
65.02168	2.8
67.05506	43.0
69.06721	5.3
69.07071	48.7
71.05022	3.4
71.08620	3.0
71.30801	3.3
77.27433	3.0
79.05495	27.3
81.07056	72.4
83.04980	4.2
83.08620	24.5
85.06536	3.3
85.10236	3.5
91.05479	24.8
93.07042	53.5
95.08606	100.0
97.06545	8.0
97.10179	10.1
100.11266	4.4
105.07038	47.2
107.08598	63.4
109.06516	3.1
109.10152	66.2
111.08073	8.2
111.11725	5.0
115.07609	3.7
117.07046	9.6
119.08574	68.4
121.06538	3.9
121.10154	59.4
123.08079	7.2
123.11703	28.0
125.09618	5.8
127.03919	5.5
129.06996	7.5
131.08560	25.5
133.10127	40.6
135.08070	10.1
135.11691	34.7
137.09628	7.9
137.13211	7.3
142.07826	3.9
143.08571	13.8
145.10127	35.5
147.08067	7.8
147.11699	33.6
149.09637	13.1
149.13269	23.0
151.11147	4.5
155.08626	8.5
156.09404	3.5
157.10103	27.3
159.08127	5.8
159.11691	57.2
161.09645	13.2
161.13258	24.2
163.11179	13.0
163.14847	10.3
167.10692	4.4
169.10123	9.3
171.11664	12.2
173.09634	7.0
173.13248	28.7
175.11269	7.3
175.14833	21.1
177.12793	6.4
177.16360	9.0
181.10080	4.4
181.12453	3.4
183.07864	2.9
183.11707	10.4
185.09665	4.4
185.13258	14.1
187.11101	6.5
187.14870	16.3
189.12773	4.3
189.16388	10.4
191.14351	3.5
191.18089	4.3
195.11841	5.6
195.13809	9.6
197.13303	9.9
199.11177	4.3
199.14896	17.5
201.12740	8.2
201.16406	13.0
203.14291	6.0
203.18024	11.6
205.15883	3.1
209.13278	4.6
209.15254	3.3
211.14996	3.1
213.16360	9.8
215.14471	3.7
215.17937	12.8
217.19576	7.0
223.14792	6.1
223.16980	9.7
227.14288	3.3
227.17975	4.4
229.19536	16.3
231.21095	3.4
235.16866	3.6
243.21030	4.5
247.17003	5.9
249.18387	4.4
251.17772	3.3
253.19485	3.8
259.16858	3.7
261.18591	4.0
269.22635	4.5
273.18500	9.4
275.20071	5.1
325.28879	4.6
346.79855	3.2
387.03113	3.7
391.32101	4.4
426.09088	3.2
435.32730	10.0
453.32990	18.9
453.37152	38.4
454.37497	8.2
471.67377	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41710	2.1
53.03942	3.6
55.01894	3.6
55.05515	34.9
57.07073	11.3
60.34010	2.4
65.03930	2.6
67.05503	52.5
69.07069	57.1
69.22206	13.3
71.08636	2.9
79.05495	31.2
81.07054	88.3
81.07526	4.9
83.04984	4.0
83.08622	23.2
83.37587	2.0
85.06539	5.2
91.05487	36.6
93.07043	65.3
95.04979	3.6
95.08607	100.0
96.08940	4.4
97.06539	6.7
97.10197	9.2
101.87246	2.1
105.07032	77.9
106.07354	3.2
107.07851	5.2
107.08593	95.1
108.08936	3.4
109.06517	7.1
109.10155	85.8
110.10507	1.9
111.08097	5.7
115.05403	3.0
117.07012	15.4
119.08576	83.2
120.08895	4.1
121.06528	4.5
121.10136	65.2
122.10516	2.8
123.08076	8.2
123.11703	37.9
125.09612	2.9
129.06996	8.3
130.07791	3.6
131.08560	36.5
133.06534	3.5
133.10132	55.3
135.08061	10.9
135.11691	42.4
136.11969	3.0
136.52441	2.4
137.09616	6.6
137.13278	9.5
142.07837	3.8
143.08568	18.6
144.09338	5.7
145.10115	52.7
146.10493	3.3
147.08069	9.8
147.11688	47.1
149.09634	9.2
149.13246	28.9
151.11197	4.1
151.14874	3.0
153.09132	2.6
155.08539	7.5
155.10583	2.8
156.09300	4.3
157.10094	22.1
158.10899	4.3
159.08061	3.8
159.11694	84.7
160.12094	3.4
161.09648	10.0
161.13242	33.6
163.11211	12.4
163.14816	16.3
165.09036	2.8
165.12831	4.1
167.10706	9.7
169.10147	7.8
170.10852	3.6
171.11681	18.6
173.09663	4.5
173.13275	34.1
175.11160	14.6
175.14798	26.6
177.12810	4.0
177.16374	6.9
181.10159	5.0
181.12228	4.8
183.11731	8.7
185.13257	11.0
187.14790	20.9
189.12801	2.8
189.16342	11.2
191.14371	5.5
191.17966	5.3
193.10243	2.9
193.12251	4.9
193.15836	6.3
195.11850	6.0
195.13838	13.4
197.13223	4.2
199.11182	4.5
199.14777	15.3
201.12727	6.6
201.16374	15.4
202.16769	2.4
203.14423	2.8
203.17946	20.8
205.16046	3.7
207.13792	3.1
209.13272	5.2
209.15276	6.3
211.14827	7.2
213.12691	2.7
213.16380	11.2
215.14264	3.4
215.17940	29.2
217.15900	4.6
217.19545	9.0
223.14960	3.5
223.16837	11.2
225.18515	4.0
227.17868	3.8
229.19476	32.4
231.21138	7.8
235.16945	4.5
237.18559	3.1
241.15936	3.3
241.19600	4.4
243.21133	7.9
245.22655	4.3
247.16904	4.2
249.18477	4.1
253.19537	3.8
255.17165	2.7
255.21115	4.1
257.22690	2.8
263.20303	4.8
269.22745	6.9
271.24103	3.6
287.20068	4.6
303.22763	2.5
343.26178	4.1
365.28412	2.5
371.29605	2.5
397.30844	5.8
400.92392	2.5
418.28094	3.7
421.34433	3.0
435.33185	4.5
436.29398	4.3
453.37570	68.7
454.37619	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03058	22.3
55.05498	36.7
57.07072	19.8
67.05495	36.1
69.07065	32.7
71.33233	17.7
79.05474	25.1
81.07052	43.0
83.04950	22.8
93.07019	30.9
94.07394	18.4
95.08595	66.6
105.07047	39.9
107.08595	39.6
109.10175	39.3
119.08581	21.3
121.10104	31.6
124.93800	66.6
129.05562	17.9
131.08632	22.8
133.10120	21.7
140.54422	17.4
140.70319	21.6
142.94803	28.0
145.10161	20.8
147.11772	20.0
157.10175	22.3
169.98517	21.0
339.29037	36.1
437.20453	100.0
454.34714	22.4
455.21414	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.9
56.93695	1.2
57.03431	3.4
61.02929	1.5
61.37524	1.1
63.32209	0.9
68.06356	1.0
69.03425	3.1
70.06594	2.1
70.48796	2.3
73.02916	5.8
79.05489	2.6
81.07055	1.8
83.04959	1.6
83.08635	2.7
85.02906	5.4
85.82453	1.0
86.93436	1.0
90.30518	1.0
91.05466	1.8
92.37938	1.1
95.04942	1.7
95.08620	1.4
96.12444	1.0
97.02927	5.2
97.10162	1.8
105.07047	3.1
107.08598	37.6
108.08945	1.7
115.03938	2.1
119.02310	1.1
123.04411	3.7
125.09625	100.0
126.09985	3.5
133.04935	1.9
139.03934	1.4
143.10648	13.3
165.05476	2.9
185.04163	1.7
203.05263	1.3
259.08124	1.2
274.10632	2.4
287.16687	1.3
293.10059	1.4
411.23410	1.3
454.15417	1.5
454.21280	3.4
455.15332	67.5
455.22296	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2927
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
53.03999	0.7
55.05509	5.4
57.03432	3.2
57.06799	1.1
57.07078	25.5
62.06089	25.6
67.05500	4.8
67.16724	0.8
69.07067	4.9
69.35646	3.5
69.36052	1.2
71.08630	16.5
79.05487	1.3
81.07050	7.4
83.04985	4.0
83.08619	4.9
85.06518	0.8
85.10180	8.6
89.06029	1.1
91.05493	1.3
93.07024	1.4
95.08603	10.1
97.06537	1.1
97.10159	2.3
98.98464	7.5
105.07027	2.4
107.08596	1.8
109.10184	5.0
119.08542	1.4
121.10152	1.4
123.11708	1.5
124.01616	1.8
129.07024	1.2
133.10153	1.1
134.10469	0.9
136.70824	0.8
142.02641	1.4
143.08607	0.7
145.10155	1.6
146.10483	0.8
155.01031	9.1
155.08482	1.0
157.10130	1.1
167.08553	0.9
172.12094	0.7
179.08459	0.9
183.11447	0.8
196.12117	1.2
197.13470	0.8
198.05280	2.1
210.13690	1.0
216.06332	3.4
239.23640	2.4
282.27866	10.8
283.28265	1.1
313.27356	100.0
314.27725	7.5
390.25076	1.5
393.24136	3.7
408.25983	1.6
418.24725	2.4
436.25793	2.2
444.25427	0.9
454.26920	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.5
55.01874	0.6
55.05503	1.4
67.05500	2.6
69.03426	0.7
69.07084	1.0
71.29414	0.7
73.91886	0.4
79.05499	1.3
81.07059	1.9
83.04993	2.8
83.08640	0.4
85.06524	0.7
89.51962	0.5
90.89077	0.4
91.05492	2.2
92.05842	0.9
93.07043	4.1
94.07361	0.7
95.04971	0.9
95.08615	4.4
96.08961	0.6
97.06539	0.5
101.09854	0.5
105.07021	2.5
106.07381	0.5
107.08596	3.1
108.08963	0.5
109.06493	0.8
109.10147	1.3
111.04405	0.9
111.08089	1.1
115.05458	0.6
117.07012	1.0
119.08600	1.7
120.08919	0.8
121.06500	0.6
121.10131	0.6
123.08071	1.5
125.09690	0.7
128.06160	0.5
128.92664	0.4
129.06993	1.4
131.08569	1.3
133.10100	1.3
135.08049	1.7
135.11696	0.8
137.05969	0.5
137.09557	0.6
141.06976	0.6
142.07729	1.0
143.08533	1.9
144.08987	0.7
145.10118	1.5
146.10472	0.7
147.08072	0.6
147.11623	1.0
155.08553	1.7
156.09201	0.5
157.10126	3.8
158.10481	0.9
159.08084	0.5
159.11647	1.0
161.09628	0.7
167.08591	0.8
168.09251	0.6
169.10100	2.1
170.10532	0.5
171.11685	1.4
172.12076	0.8
173.09615	0.9
174.85611	0.5
175.11124	0.8
179.08630	0.7
181.10100	2.1
182.10876	0.9
183.11646	1.9
184.12148	0.5
185.13293	0.7
187.11336	0.7
193.10204	0.9
194.10675	1.2
195.11707	10.2
196.12309	1.7
197.09618	1.1
197.13229	2.1
198.13661	0.8
199.11200	0.7
200.11722	0.6
205.10123	0.6
207.11688	1.6
208.12274	1.1
209.09550	0.9
209.13255	6.1
210.13760	2.0
211.11108	0.5
211.14803	1.2
212.15193	0.9
219.11569	0.8
220.12157	0.7
221.13200	2.0
222.14011	1.5
223.14798	2.3
224.11583	0.5
224.15358	1.1
225.16289	1.0
235.14850	2.7
235.85739	0.5
236.11786	0.6
236.15468	1.4
237.12721	1.8
237.16370	5.1
238.17047	2.0
239.14270	0.8
251.17990	0.7
254.13031	0.7
255.13754	1.3
257.15329	1.3
261.16339	1.1
262.12961	0.7
263.17862	0.7
267.13776	1.4
268.17920	0.7
278.27496	0.6
279.17484	2.3
282.16199	0.7
283.17053	0.5
295.16760	0.7
297.18500	100.0
298.18820	7.2
323.20059	0.6
418.24161	0.7
419.25720	1.5
436.30112	2.7
437.27109	2.2
454.30118	2.1
455.22336	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60410	1.0
55.05512	22.1
56.05846	4.1
57.07076	37.6
59.04998	0.9
67.05499	1.6
69.07063	3.2
71.08631	27.0
71.32368	1.9
73.06566	5.8
79.05494	1.6
81.07039	2.7
83.04982	23.0
83.08617	3.1
84.05324	6.3
85.10183	20.9
87.04488	2.2
89.06030	100.0
90.06360	1.5
91.95476	1.0
93.07051	2.5
93.86146	1.0
95.08594	4.9
97.10175	2.5
99.11732	3.6
99.41295	1.0
105.07039	2.6
107.07072	3.4
107.08560	2.7
109.10190	2.0
111.08112	1.0
113.13313	1.7
115.92439	1.0
117.09135	3.0
119.08581	4.2
121.10170	1.7
123.08148	1.3
123.11682	1.5
131.08536	1.7
133.08603	48.3
133.10164	2.5
133.98761	0.9
135.10207	1.3
135.11700	1.5
136.03571	1.0
143.08586	1.4
145.10222	1.8
147.11653	1.7
155.08481	1.3
155.17967	3.4
157.10130	2.3
159.11720	1.5
171.11632	2.6
177.11232	16.4
177.12646	2.2
185.13306	1.7
189.19890	1.1
195.12225	3.8
197.13205	1.1
199.14709	1.2
199.20595	3.9
203.18005	1.2
208.25835	1.1
211.11041	1.3
211.14774	1.3
213.12592	1.2
221.13713	1.7
237.16393	1.2
239.14905	1.3
243.23166	7.3
282.08353	1.4
283.17517	13.9
287.25754	2.2
297.18439	2.1
314.11087	1.5
322.11438	1.9
349.29214	1.2
354.14221	2.3
370.13910	1.7
391.26096	2.8
419.25836	5.6
437.26996	1.4
437.34814	10.4
454.19281	1.5
455.34937	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22137	1.6
55.75380	1.8
59.66108	2.2
65.03949	2.9
67.05514	3.2
69.03449	2.8
70.06598	3.4
79.05489	4.9
81.03423	2.8
83.04996	3.3
85.02911	7.1
86.06160	1.8
86.09721	2.0
88.76333	2.0
89.03922	8.1
91.05487	4.2
93.03391	3.2
95.04975	7.1
97.02906	5.4
98.97575	3.6
101.00898	14.7
107.04968	17.9
109.01447	3.0
110.30585	1.9
111.04430	7.4
117.03409	8.9
119.01125	4.2
119.01933	57.2
119.04954	2.6
120.02014	2.9
121.02860	4.5
121.06574	3.0
123.04461	9.7
125.04466	2.3
127.02424	14.8
129.03989	2.4
131.01927	4.8
133.02776	2.2
134.99878	2.0
135.04419	34.6
137.02994	17.8
137.06007	1.9
139.03923	5.3
143.01883	5.0
145.03557	59.4
146.03525	4.2
147.04420	8.3
151.02423	2.0
153.03981	2.5
153.05463	5.1
155.01892	3.6
157.03493	7.5
159.05272	2.4
160.07587	15.9
161.02951	7.5
163.03905	84.0
164.04248	6.3
165.04063	2.1
169.03474	55.7
170.03645	3.1
170.06667	3.5
171.01376	3.5
171.05080	13.2
171.06432	2.9
172.06395	2.9
173.02974	4.4
175.04547	4.2
177.00935	6.0
177.03970	2.3
181.03493	8.4
183.05040	2.7
185.03003	16.5
186.09187	4.9
187.02855	4.3
187.04549	74.6
188.04636	4.7
188.07643	2.3
189.02539	2.5
193.03539	10.6
195.05046	27.4
196.05482	2.1
197.02974	13.5
199.04601	4.5
201.00861	3.1
203.02193	2.3
203.03998	5.6
205.05609	7.2
209.02989	13.5
211.04593	11.7
213.06075	17.0
215.04015	16.6
219.02037	11.5
219.05063	5.5
221.03012	55.0
221.04948	3.6
222.03259	3.0
223.04559	2.7
224.15033	2.0
229.05649	18.4
230.05714	2.6
231.01849	3.0
231.05109	2.2
233.05006	2.7
235.04515	6.3
236.99973	3.0
237.02602	2.3
237.06174	10.0
239.04066	18.0
240.04507	1.9
243.02122	3.9
243.05038	4.5
244.52878	2.2
247.04482	4.2
247.06682	11.2
249.08627	3.0
251.04068	4.4
253.05730	2.7
255.02043	3.3
257.05130	12.0
258.99911	4.5
259.04636	12.1
260.99954	4.7
261.03116	5.1
261.06052	7.3
262.06564	2.2
262.99536	2.8
263.03958	4.9
264.12317	3.9
269.06955	4.2
270.98132	2.1
271.04477	19.9
273.03125	3.4
275.03278	4.7
275.06122	62.8
276.06232	2.8
276.12231	2.9
277.01135	3.2
277.05695	15.1
279.00781	6.9
279.07156	3.2
281.05109	2.3
283.00131	5.6
284.99783	6.1
286.99515	3.0
287.04144	2.4
287.07657	6.6
289.02789	3.2
289.05594	15.1
293.07193	12.0
293.15030	2.7
299.06113	7.5
301.00970	8.3
303.00900	11.0
307.06567	7.2
313.05658	4.8
313.14258	2.2
316.98764	4.2
317.02109	4.6
317.07437	22.2
319.05078	2.7
327.04044	2.5
331.06589	9.5
337.09848	4.2
349.07773	23.9
353.07016	3.7
359.06522	3.2
365.07281	17.2
367.08792	29.0
368.09204	3.6
377.07263	18.8
383.08215	6.2
385.09756	5.7
395.08295	100.0
396.08398	10.3
401.00754	2.6
407.08444	4.7
409.09818	4.7
413.09241	10.2
418.09814	2.9
419.08224	4.4
425.04092	2.2
425.09085	12.4
431.00720	9.7
431.10092	4.5
437.09570	21.3
438.09372	3.1
445.02002	6.1
449.02896	2.3
452.04764	2.2
455.10318	58.8
455.20465	6.1
456.10641	7.7
473.02859	2.6
473.09860	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30593	1.0
59.27010	0.8
67.19515	0.7
69.49727	4.6
77.40051	0.8
96.94659	0.9
112.89599	100.0
114.89358	3.1
212.85144	1.0
414.95181	0.9
448.09036	1.1
455.11575	79.0
456.11874	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1314
Annotation	Nap-Met-OH
Peak:m/z	Relative Intensity
53.52119	1.1
54.95088	1.0
56.96576	2.8
59.06881	1.2
59.38750	1.2
69.14519	8.0
82.09233	1.3
84.96046	1.6
85.02906	1.5
85.19610	1.0
97.02921	1.5
98.22649	2.9
98.97593	5.7
110.97577	2.1
116.98626	2.3
125.09613	1.3
127.03947	1.4
127.11255	1.6
128.98657	1.4
143.10721	1.5
145.12248	1.5
149.05594	1.1
158.99658	2.0
161.01321	1.3
179.03868	1.8
219.01849	2.6
221.04884	1.7
237.02873	4.0
245.34358	1.2
323.08002	3.9
341.08954	5.3
455.13083	100.0
455.22708	26.0
456.13419	7.3
456.23013	1.5
460.42874	1.2
468.43549	1.4
478.98145	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.9
55.05511	1.9
56.20741	2.0
65.10626	1.6
71.04993	2.7
71.29841	2.7
73.02927	2.2
81.07043	1.9
85.02907	4.9
127.03918	3.1
127.11199	4.3
132.24274	1.6
145.12248	13.9
187.14729	1.7
209.11763	3.0
275.16190	2.4
293.14517	4.4
434.22723	1.9
455.13025	100.0
455.22488	50.1
456.13242	6.1
456.22720	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1522
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
67.05490	0.3
69.14327	2.4
70.06599	1.6
73.02902	0.3
83.01115	0.8
85.02891	0.5
85.50573	0.3
86.09707	1.2
95.01089	1.2
95.04969	0.4
96.01892	0.4
105.07032	0.4
107.08583	0.5
108.08937	0.4
112.01341	0.8
113.02138	1.7
116.07100	1.1
117.99718	0.3
119.05015	0.4
123.04437	2.1
125.09634	1.4
126.02904	0.3
126.09985	1.0
127.11220	0.7
128.36356	0.3
139.03862	0.5
147.04416	1.1
157.04745	0.5
165.05461	0.9
185.04211	3.2
191.03453	0.5
199.10658	0.2
201.03757	0.7
203.05304	0.8
208.46599	0.3
217.44644	0.3
218.05524	1.1
243.08331	0.4
245.99695	0.3
259.07962	0.9
275.11118	0.4
291.08685	0.3
293.09952	1.2
315.13370	0.6
347.89157	0.3
386.39185	0.3
455.15265	100.0
455.22339	10.8
456.15549	7.6
456.22098	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13692	0.4
53.40039	0.3
69.20188	0.9
69.20603	1.5
70.06596	1.1
72.04519	0.8
78.03788	0.5
85.02904	1.2
86.09704	0.5
91.05491	0.5
102.03762	1.0
107.08591	0.6
109.02893	0.5
116.07162	0.3
120.04792	0.6
123.04435	0.7
125.09652	1.4
126.05534	0.7
126.10016	0.6
127.03912	0.5
132.04779	0.4
147.04463	0.4
149.07419	1.8
174.57831	0.4
257.12762	0.4
275.16302	1.2
293.10098	5.6
332.57706	0.4
437.19229	0.6
455.15286	100.0
455.22330	10.6
456.15622	7.7
456.22324	0.7
471.73355	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.2
53.03946	1.8
55.05511	76.0
56.05843	1.0
57.36525	0.2
69.74684	0.8
75.04494	0.2
79.05492	0.4
81.07056	0.3
83.04981	100.0
84.05313	1.9
84.94464	0.2
91.05437	0.2
95.08567	0.2
105.03360	0.3
107.04965	0.2
109.79930	0.2
122.42164	0.2
124.05237	0.2
139.07498	0.2
147.04395	0.2
147.16830	0.2
151.07559	0.2
152.04677	0.3
166.07666	0.2
167.07097	1.6
172.74530	0.2
179.07076	0.2
194.07231	0.2
195.06519	5.3
195.07957	0.2
209.05943	0.3
213.05493	0.2
221.04378	0.2
221.07932	0.2
221.11685	0.2
222.06674	0.8
223.07487	0.6
225.09079	0.2
227.72119	0.2
235.07707	0.2
237.05482	0.4
237.09084	0.6
239.06956	0.3
249.05406	0.3
250.06303	0.2
251.03395	1.1
251.07031	0.7
252.04100	0.4
252.07693	0.3
253.04895	0.3
253.08592	0.8
255.06535	0.2
263.06946	0.7
264.07578	0.3
265.04898	2.1
265.08493	0.8
266.05701	0.9
267.06488	0.5
277.08038	0.3
277.10959	0.8
279.02786	0.3
279.06314	0.3
280.03922	0.4
280.07260	3.4
281.05081	0.2
281.08035	1.3
282.08533	0.2
291.06442	0.2
292.07205	0.3
293.04410	0.8
293.07980	0.5
294.05130	2.2
294.08606	0.5
295.09628	2.5
296.06970	0.2
296.10245	0.5
297.07532	0.4
297.11081	0.5
305.08038	1.1
307.09509	0.3
308.06717	0.9
308.18338	0.2
309.07516	0.9
311.05481	0.4
311.08990	0.7
313.06918	0.7
313.10522	0.5
323.09134	5.1
324.09882	1.6
325.10583	0.5
327.12274	0.8
337.10559	0.2
340.09381	0.2
341.10062	0.2
345.13208	0.4
355.11893	1.0
362.25192	0.2
373.12827	0.3
456.16281	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.05511	74.3
56.05846	1.0
57.61420	0.2
69.13689	0.4
69.14094	1.2
76.71480	0.2
79.05489	0.4
83.04980	100.0
84.05296	1.6
84.05726	0.2
120.96654	0.3
121.06532	0.3
126.88362	0.2
139.07501	0.2
152.04709	0.4
152.06100	0.2
165.06992	0.4
167.07031	1.7
179.07056	0.3
181.04901	0.2
184.03497	0.2
193.06575	0.2
194.07449	0.2
195.06535	6.0
195.07986	0.2
209.05907	0.2
219.06383	0.2
221.04378	0.3
221.11728	0.2
222.06786	1.1
223.07471	0.5
225.05540	0.2
227.06958	0.2
237.05432	0.4
237.09091	1.1
238.06009	0.2
238.09784	0.2
239.07045	0.2
249.05467	0.3
251.03343	1.1
251.06955	0.7
252.04176	0.3
252.07745	0.5
253.04854	0.3
253.08524	0.7
263.06927	0.5
264.07587	0.3
265.04892	1.9
265.08475	0.7
266.05676	0.8
266.09216	0.2
267.06427	0.4
267.10107	0.3
277.07999	0.3
277.10898	1.0
279.06552	0.4
280.04099	0.3
280.07272	3.9
281.05029	0.2
281.07904	1.3
282.08502	0.2
283.06055	0.2
291.06433	0.3
292.07141	0.3
293.04379	0.6
293.07977	0.7
294.05127	1.9
294.08548	0.4
295.06021	0.3
295.09586	2.4
296.10333	0.5
297.07684	0.4
297.11093	0.6
305.07956	1.3
308.06693	0.8
309.07581	1.0
311.09015	0.6
312.09909	0.2
313.06888	0.5
313.10632	0.6
323.09143	5.8
324.09842	1.9
325.10538	0.4
326.07693	0.3
327.12195	0.8
335.25754	0.4
337.10574	0.2
341.10022	0.2
345.13086	0.5
355.11780	1.1
373.12625	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01880	0.3
55.05510	63.6
56.05845	1.3
67.05510	0.8
69.03430	0.3
69.07058	0.4
69.09664	2.1
71.05002	0.3
73.07242	0.2
75.04482	0.2
79.05501	1.2
81.07065	1.1
83.04978	100.0
84.05303	1.8
91.05501	0.8
93.07038	0.9
95.04980	0.5
95.08607	1.3
105.07007	1.2
107.08580	0.9
109.06509	0.3
109.10148	0.6
111.08087	0.7
117.07001	0.3
119.08547	1.2
121.06509	0.2
121.10142	0.6
123.08083	0.4
123.11702	0.3
127.70917	0.2
128.41974	0.2
131.08553	0.4
133.10126	0.7
135.11745	0.3
139.07532	0.5
142.74016	0.2
143.08499	0.3
145.10118	0.8
147.04472	0.2
147.11705	0.3
151.03906	0.3
151.07552	0.4
152.04681	0.6
155.08504	0.4
157.10081	0.6
159.11691	0.5
161.09555	0.4
161.13255	0.4
165.06972	0.6
167.07057	2.6
167.08421	0.4
169.10069	0.3
171.07936	0.3
173.13286	0.5
175.07692	0.2
179.07104	0.4
179.08530	0.2
181.04878	0.4
181.06508	0.3
183.08073	0.2
183.11670	0.3
185.13202	0.6
187.14760	0.2
194.07228	0.4
195.06517	8.0
195.07851	0.3
197.09572	0.3
197.13206	0.3
199.14766	0.3
203.10632	0.2
209.05905	0.2
221.07954	0.3
221.11627	0.4
222.06697	0.8
223.07590	0.5
225.09053	0.4
237.09106	0.8
249.05351	0.4
249.11148	0.3
250.06270	0.3
251.03326	1.0
251.07018	0.8
252.03992	0.3
252.07770	0.7
253.08620	0.7
263.06943	0.6
265.04886	2.1
265.08511	0.8
266.05621	0.8
267.06546	0.5
277.08075	0.3
277.10794	2.2
278.11115	0.3
279.06381	0.4
280.07251	3.3
281.08121	1.5
293.04340	0.8
293.08044	0.7
294.05145	1.8
294.08615	0.5
295.09616	2.8
296.10156	0.5
297.07678	0.3
297.11066	0.5
297.18643	0.3
298.08014	0.4
305.08044	1.6
308.06583	0.7
309.07440	0.9
311.09024	0.8
313.06909	0.8
313.10623	0.8
323.09109	5.4
324.09882	1.9
325.06964	0.3
325.10449	0.8
326.07849	0.3
327.12152	0.8
337.10428	0.6
345.13251	0.7
355.11774	1.6
419.25754	0.4
455.23520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.05510	75.8
56.05854	1.2
57.71679	0.2
67.05520	0.4
69.07056	0.4
69.77347	0.9
79.05496	0.9
81.07059	0.9
83.04978	100.0
83.08607	0.3
84.05300	2.0
91.05511	0.3
93.07030	0.6
95.08591	0.7
98.58710	0.3
105.07028	0.5
107.08567	0.6
109.06537	0.3
111.08048	0.3
120.96619	0.6
121.06484	0.2
121.10117	0.3
123.04438	0.3
126.83646	0.2
139.07497	0.4
151.03888	0.2
152.04698	0.3
153.05441	0.3
167.07060	2.1
179.06984	0.5
181.04887	0.2
194.07231	0.3
195.06516	6.7
213.84254	0.2
221.04269	0.4
222.06760	1.1
223.07466	0.5
235.05818	0.5
237.08954	0.8
238.06165	0.3
250.06104	0.5
251.03329	1.0
251.07021	0.3
252.03822	0.3
252.07805	0.7
253.08505	0.7
262.06161	0.4
263.06866	0.6
264.07581	0.3
265.04819	2.6
265.08362	0.5
266.05591	0.9
267.06372	0.4
277.07996	0.4
277.10974	1.2
279.06482	0.5
280.03906	0.5
280.07208	3.1
281.08051	1.4
291.06390	0.3
293.04559	0.6
293.08005	0.8
294.05045	2.0
294.08347	0.4
295.06271	0.4
295.09619	2.5
296.10080	0.6
297.11050	0.3
305.08057	1.6
306.08591	0.3
308.06512	0.7
309.07318	1.1
311.08978	0.3
313.06793	0.8
313.10269	0.4
323.09122	5.9
324.09872	2.3
326.07516	0.4
327.12143	0.9
335.25589	0.9
341.10034	0.4
345.13116	0.3
355.11526	1.0
357.23956	0.3
455.22565	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03559	1.4
55.05493	1.6
56.96570	9.0
63.13887	1.3
69.02867	1.5
69.03417	2.1
69.07063	1.9
71.30878	1.7
81.07037	2.7
83.04936	1.8
86.09723	1.5
91.05453	2.4
93.07050	2.3
95.08603	2.1
98.97572	3.5
110.97579	1.4
123.04391	1.9
128.98520	1.8
146.94659	1.7
149.02405	2.2
179.07086	1.7
223.21432	1.6
225.07939	2.6
237.02808	1.8
275.13187	2.3
275.16110	2.4
293.14136	6.4
293.17032	3.3
309.03650	6.9
345.04611	2.1
437.18314	14.0
455.09610	3.7
455.20557	100.0
456.20822	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2043
Annotation	20,22-Dihydro-22,23-epoxywalsuranolide
Peak:m/z	Relative Intensity
56.15168	0.6
57.03424	0.7
61.79366	0.7
69.03423	0.8
69.36488	5.1
73.02896	2.4
81.07044	1.5
85.02879	2.3
86.02235	0.7
91.05435	0.7
91.52266	0.6
93.07034	1.0
95.04924	0.8
97.02881	2.3
97.06548	1.0
105.07027	0.9
107.08540	1.0
109.10125	1.1
115.03910	2.1
119.08514	0.8
133.04961	0.8
145.04974	1.0
151.07440	1.2
179.06908	1.0
181.83890	0.9
185.04187	0.8
193.04379	0.7
203.05289	1.6
218.12297	0.8
275.16141	3.0
293.17227	56.1
294.17529	2.8
309.03546	1.0
393.22446	5.1
455.21008	100.0
456.21188	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2061
Annotation	Walsuranolide
Peak:m/z	Relative Intensity
51.02376	1.5
53.03941	4.3
55.01872	6.5
55.05510	6.8
55.66619	0.9
56.19801	1.0
57.03432	1.3
57.26325	1.0
59.68978	0.9
65.03929	2.6
67.05508	15.1
69.03428	13.2
69.06052	7.3
69.06457	2.1
69.07056	4.8
71.04990	2.9
77.03902	1.5
79.05491	24.0
81.03428	3.0
81.07056	63.5
82.07378	2.0
83.05006	5.2
83.08612	1.6
83.90017	1.1
85.02876	1.8
85.06525	1.7
88.74225	1.0
91.05482	34.6
91.69033	1.0
92.05824	1.5
93.07042	35.3
95.04972	13.4
95.08603	34.5
97.02897	11.3
97.06536	7.6
98.00522	1.1
99.04449	8.2
103.05450	7.0
105.03449	1.2
105.04533	1.7
105.07027	29.2
106.07397	1.5
107.04949	8.2
107.08587	18.1
109.02885	2.5
109.06521	40.3
109.10151	2.8
110.06834	2.1
111.04442	4.7
111.08073	8.1
115.05447	8.3
116.06245	2.4
117.07023	17.6
119.04961	4.5
119.08582	19.2
119.09415	1.1
120.08896	1.4
121.06503	38.8
121.10130	4.5
123.04448	3.3
123.08067	22.0
124.08390	1.1
125.06001	4.0
125.09637	2.0
127.03885	1.6
128.06233	11.9
129.07005	16.2
130.07765	3.4
131.04944	6.7
131.08578	19.6
132.05655	2.0
133.06485	14.9
133.10135	12.2
135.04437	3.0
135.08046	10.1
135.11681	3.0
137.05972	72.9
137.09625	3.4
138.06392	2.0
139.07526	8.8
141.06982	15.4
142.07779	9.9
143.04935	6.8
143.08549	21.8
144.05698	2.0
144.09213	1.8
145.06483	17.0
145.10106	21.1
146.07224	1.3
147.04407	1.7
147.08044	24.6
147.11662	5.3
149.05981	35.2
149.09602	3.7
150.06259	1.2
151.07532	13.6
153.05438	1.2
153.06975	4.6
154.07779	3.2
155.08540	22.9
156.09288	3.2
157.06490	7.3
157.10126	14.2
158.07274	3.0
159.04413	1.4
159.08061	18.2
159.09277	1.1
159.11700	5.7
160.08806	1.9
161.05988	9.7
161.09627	13.4
162.06728	1.2
163.07520	8.1
163.11208	4.5
165.07016	8.6
165.09160	2.8
166.07774	3.7
167.07033	37.8
167.08545	10.4
168.07474	1.4
168.09311	3.8
168.91151	1.2
169.06479	4.8
169.08743	1.7
169.10133	9.7
170.07295	1.9
170.10809	1.4
171.08031	13.5
171.11739	6.9
172.08739	3.0
173.05992	3.0
173.09599	19.6
173.13255	2.4
174.10068	1.8
175.07585	8.0
175.11174	17.4
177.05441	3.9
177.09068	6.6
178.07791	4.5
179.08543	10.2
180.09300	3.5
181.06499	3.6
181.10114	13.2
182.07274	2.3
182.10785	2.7
183.08055	9.2
183.11690	9.3
184.08774	5.9
185.05891	2.0
185.09595	12.0
186.06488	1.5
187.07558	4.4
187.11183	5.7
188.07047	2.2
189.07115	1.2
189.09117	7.8
190.07785	2.0
191.07082	2.6
191.08559	4.1
191.10625	3.5
192.09360	8.1
193.08566	4.8
193.10159	11.6
194.10680	2.7
195.06522	45.6
195.08032	4.6
195.11681	8.6
196.08824	3.4
197.05841	2.0
197.09631	8.3
197.13263	4.7
199.07527	3.0
199.11177	6.9
201.09111	6.3
201.12788	3.3
202.07803	4.3
203.08524	4.0
203.10695	4.6
204.09348	3.0
205.06601	1.6
205.08427	2.0
205.10204	6.1
206.07224	1.4
206.10840	2.8
207.08109	2.6
207.10071	1.4
207.11708	12.3
208.08775	2.5
208.12411	2.7
209.09604	9.1
209.13231	5.2
210.10371	3.1
211.07549	3.8
211.11122	9.3
213.09145	4.6
213.12746	3.5
215.10704	2.8
215.14236	1.4
217.10216	9.4
217.12115	2.1
218.10890	4.4
219.08096	2.8
219.11844	6.9
220.08714	5.3
221.09636	9.8
221.13278	3.9
222.10301	2.4
223.07721	1.4
223.11211	8.5
223.14836	3.8
224.11809	1.4
225.09093	1.6
225.12711	10.9
226.13226	1.7
227.10672	3.2
227.14264	2.4
229.08412	1.7
229.12173	2.7
230.10870	1.3
231.08028	1.5
232.12517	3.2
233.09589	3.5
233.13312	6.1
234.10316	2.6
235.09116	1.9
235.11208	28.0
235.14729	2.2
236.11821	6.4
236.15448	1.4
237.09059	4.2
237.12668	7.4
237.16368	2.9
238.09772	2.4
238.13292	1.3
239.10657	8.1
239.14288	2.0
241.12239	3.0
241.15923	1.6
243.13809	1.5
245.09694	8.0
245.13354	2.0
245.15359	1.5
246.10341	4.4
247.11148	4.3
247.14868	6.1
248.08296	2.1
248.11839	1.7
249.09120	2.7
249.12706	4.2
250.13199	1.6
251.10736	4.2
251.14302	6.3
253.12256	18.6
253.14954	1.8
253.15932	2.0
254.12964	4.9
255.13777	2.1
257.13391	2.1
259.11313	2.2
260.12024	1.6
261.12665	4.4
263.10703	15.9
263.14340	4.2
264.11365	6.2
265.10510	3.1
265.12601	2.0
265.15900	12.4
267.13931	1.8
269.11819	2.2
269.15475	2.1
271.13312	4.2
275.14294	9.3
276.14853	2.0
277.12323	2.3
277.15491	1.7
279.13763	3.8
281.11743	13.4
281.14917	2.1
282.12259	3.9
283.13300	3.2
283.16724	1.7
289.12195	1.6
291.13687	2.0
293.15259	13.9
294.15662	1.7
295.13272	2.9
299.12598	6.1
301.14523	2.0
303.13742	4.5
303.17267	1.1
304.14352	1.5
309.14783	2.0
311.16425	10.4
313.15698	3.0
317.13867	2.2
317.18942	1.4
321.14853	10.0
331.16830	1.5
339.15866	12.3
345.18625	1.6
345.22366	1.2
355.16809	2.4
357.16830	4.2
363.19556	4.0
373.18036	5.8
375.15982	1.4
377.17441	1.7
381.20471	3.2
391.18860	19.1
391.22852	1.9
392.19315	2.6
393.16989	8.4
395.18353	3.1
401.17325	7.0
407.18500	1.7
409.19946	33.9
410.19748	2.0
411.17712	2.6
419.18414	25.0
419.23276	1.6
420.18747	1.9
425.19247	2.6
427.20816	6.9
437.19202	74.2
438.19559	7.6
455.20627	100.0
455.25073	23.8
456.19797	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.6
55.01878	0.7
55.05513	70.4
56.05854	1.0
59.04971	0.5
65.03947	0.4
65.95515	0.5
67.05508	2.6
68.87447	0.5
69.03432	2.4
69.07071	1.6
71.04964	0.5
71.30521	0.5
75.94929	0.5
79.05492	3.5
81.07056	6.3
83.04984	100.0
83.08642	0.6
83.28413	0.4
84.05319	1.6
85.06543	0.5
91.05481	7.6
93.07046	3.6
95.04975	2.0
95.08610	3.5
97.02901	0.9
97.06544	1.1
99.04453	0.9
105.07036	8.9
105.07740	0.5
107.08601	2.9
109.06525	3.1
109.10161	2.0
111.08083	0.6
115.05466	1.1
117.07028	3.1
119.04946	1.5
119.08586	6.7
121.06497	1.5
121.10166	1.5
123.08080	1.8
125.09588	0.6
128.06253	2.8
129.07004	6.7
130.07814	0.6
131.08562	5.2
133.06496	3.5
133.10123	4.5
135.08055	2.0
137.05983	4.5
137.09682	0.7
139.07553	1.1
141.06984	2.4
142.07780	8.8
143.08566	4.0
145.06482	1.2
145.10136	3.9
146.10504	0.5
147.08011	1.8
147.11700	5.0
149.09598	1.5
151.07579	0.6
153.06996	0.8
154.07791	1.2
155.08563	3.2
156.09355	2.2
157.10127	18.2
158.10501	0.5
159.08130	2.3
159.11710	2.7
160.08751	0.7
161.09625	1.1
161.13176	0.6
163.11238	0.9
165.07031	1.1
165.09128	1.9
166.07787	1.0
167.07083	0.8
167.08553	1.7
168.09349	0.6
169.10146	3.5
170.10899	0.6
171.08060	1.4
171.11726	3.2
173.09627	1.8
173.13184	0.5
175.11192	28.8
176.11540	1.3
177.09093	1.3
178.07962	0.5
179.08536	1.7
180.09277	1.0
181.08661	0.5
181.10100	2.0
183.07980	0.4
183.11696	1.5
185.09653	1.3
185.13228	0.9
187.07451	0.5
187.11197	1.4
189.09132	0.9
189.12787	2.6
191.10622	0.7
192.09364	0.7
193.10089	1.4
194.10844	0.9
195.11661	1.9
197.09641	1.7
197.13242	1.7
199.11145	1.2
201.09174	0.8
201.12733	0.6
203.10683	0.6
206.10942	0.6
207.11668	1.1
208.12560	0.6
209.09630	1.0
209.11494	0.6
209.13272	1.5
211.07417	0.5
211.11105	0.6
211.14821	0.6
213.12717	0.9
215.14276	0.8
221.09706	0.8
221.13289	0.9
223.11133	1.0
223.14810	1.0
225.09183	0.5
225.12804	0.7
229.12228	0.5
231.11803	0.5
231.13940	0.6
233.08041	1.1
235.11192	0.7
235.14845	1.4
237.09082	0.6
237.12750	1.2
239.10654	0.8
239.14349	0.7
246.14056	0.6
247.14749	0.7
251.10669	0.6
251.14250	0.6
255.17212	0.5
258.42343	0.5
263.10397	0.8
264.11261	0.5
265.08615	0.8
275.12650	0.9
279.17554	0.6
281.15479	0.6
295.13361	0.5
299.09097	1.0
299.20303	0.5
307.09531	0.8
309.11151	0.7
323.12756	0.7
325.10638	0.7
331.11691	0.7
341.13834	7.1
342.13992	0.6
355.15475	4.0
357.13504	0.5
373.16394	1.7
386.13358	0.6
405.16742	0.5
409.20691	0.8
419.18390	0.5
419.22162	0.9
423.17691	0.8
424.18637	1.2
427.22672	8.4
428.22873	1.3
437.23502	5.6
455.23462	12.9
456.23871	1.9
473.22964	2.2
474.23367	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26669	0.5
54.65363	0.5
55.05512	0.5
67.05504	0.8
71.29038	0.8
79.05488	0.6
81.07043	0.7
83.04989	1.1
91.05488	1.2
92.68507	0.5
93.07050	1.3
95.04961	0.5
95.08627	1.5
97.25865	0.4
100.12782	0.5
102.77369	0.5
105.06999	0.8
107.08607	0.6
111.04484	0.6
119.08614	0.5
121.06525	0.7
127.03869	0.7
128.04216	0.5
157.10208	0.5
163.03877	0.5
165.07129	0.6
165.09100	0.5
197.09688	0.7
203.05295	2.2
205.11998	1.1
223.13029	3.0
229.10312	0.5
243.11642	0.6
255.11725	0.8
269.13342	0.7
275.16196	2.1
277.17752	7.3
287.14185	0.6
293.13583	0.6
293.16852	1.4
313.15906	0.6
343.17184	0.9
385.18311	37.6
386.18658	2.9
427.22531	0.7
437.21185	1.8
455.22485	100.0
456.22748	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08239	0.6
53.34128	0.6
57.03327	2.1
57.03634	1.0
61.02837	1.0
69.03323	2.8
69.06937	6.3
73.02793	5.4
73.03246	1.2
81.03323	0.7
81.06993	1.3
85.02776	5.3
93.06969	0.8
95.08501	0.8
97.02759	4.8
105.06927	1.0
107.08495	0.9
109.02766	0.8
109.10046	1.1
115.03922	3.4
119.08437	0.7
127.03787	2.0
131.08435	0.9
133.04832	1.7
144.06482	1.0
145.04805	1.8
162.07648	0.6
163.05911	0.9
180.08580	0.7
185.04111	0.6
188.49525	0.7
210.51880	0.5
273.04352	0.7
289.16370	1.0
293.17224	100.0
294.17618	5.1
299.26569	0.7
309.03735	2.7
376.59012	0.7
437.21310	0.9
455.09732	2.1
455.22400	90.9
456.22632	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71378	0.8
54.80405	0.6
59.67330	0.6
69.03428	1.2
69.40024	4.4
70.06577	0.8
70.47953	0.8
73.11971	0.6
81.03474	0.8
81.07040	2.8
85.02903	3.6
85.06541	1.1
91.05476	0.9
93.84227	0.7
95.04970	1.2
97.02902	1.3
99.08119	1.0
109.06510	4.7
115.05479	1.2
115.34583	0.7
117.07033	3.0
121.55540	0.7
123.04411	5.0
124.07665	0.8
127.07552	4.6
139.03928	1.9
143.07291	2.0
144.08087	100.0
145.05006	1.2
145.08578	21.9
161.10750	12.7
165.05406	1.2
170.08092	0.7
179.02328	0.7
270.09601	0.7
379.19495	0.7
455.15402	1.9
455.22385	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00234	2.1
53.03933	3.1
55.05269	3.3
55.05512	44.0
56.05847	5.1
57.07074	26.9
59.04991	2.8
61.66654	2.0
65.03481	2.4
67.05502	24.6
69.03438	3.9
69.06762	2.3
69.07072	19.0
71.04978	3.1
71.08620	8.9
79.05504	11.0
81.03484	2.3
81.07058	27.2
83.04484	3.2
83.04977	46.1
83.08617	7.2
84.05302	9.3
85.06541	4.4
85.10176	7.6
87.07903	2.2
89.06034	36.7
90.06367	8.5
91.05467	20.0
93.07040	35.4
95.04957	7.1
95.08608	46.9
96.08970	2.1
97.06526	7.8
97.10188	2.9
99.08116	3.5
105.03403	2.1
105.07022	37.5
107.08583	36.1
109.06526	7.5
109.10152	21.2
111.04432	6.5
111.08080	9.6
117.07013	7.3
119.08572	36.4
120.08943	2.2
121.06513	7.9
121.10157	17.9
123.08044	15.9
123.11693	10.2
125.09613	5.9
128.06219	5.7
129.06975	8.5
131.08543	18.8
133.06464	2.8
133.08600	14.4
133.10118	23.1
134.08966	2.7
135.08057	7.7
135.11705	10.2
139.07539	6.2
141.06999	4.4
141.09106	4.3
142.07793	8.6
143.08542	28.4
145.10146	36.9
147.08057	11.2
147.11684	14.5
149.09631	4.4
149.13246	4.4
154.07765	2.4
155.08549	16.1
156.09335	7.3
157.10133	33.9
158.10773	2.6
159.08102	4.7
159.11719	26.2
160.12123	2.0
161.09572	10.2
161.13228	13.7
163.11208	5.9
165.06982	5.3
167.08603	8.9
168.09445	3.5
169.10124	18.7
170.10693	4.9
171.07959	2.5
171.11691	27.3
172.12367	4.0
173.09685	4.8
173.13315	13.4
175.11215	6.3
175.14757	6.3
177.11211	6.4
177.12779	6.9
177.16476	2.5
178.49355	3.1
179.08638	4.7
179.10748	2.6
180.09282	3.3
181.10091	7.8
182.10922	5.9
183.11711	17.8
185.09547	4.0
185.13239	19.2
187.11243	6.1
187.14798	9.0
189.12761	10.8
189.16402	3.8
193.10123	5.3
194.10817	5.5
195.11711	16.2
196.12384	3.8
197.13301	21.2
198.13866	3.1
199.11212	3.5
199.14761	7.1
201.12729	3.8
201.16360	5.2
203.10641	2.2
203.14342	2.4
207.11748	5.8
208.12392	4.9
209.13216	17.7
210.14275	2.4
211.11217	4.4
211.14842	17.5
213.12695	13.2
213.16409	3.6
215.14313	4.0
217.12167	3.2
217.15807	2.4
219.13791	2.6
221.13211	7.2
223.11224	4.9
223.14804	10.0
225.12730	5.3
225.16365	4.8
227.14258	3.4
227.17934	5.6
229.12271	4.4
231.13745	5.8
235.14821	5.2
235.16908	2.9
236.15485	3.2
237.16319	6.6
239.14299	5.0
239.18109	3.3
241.12215	5.8
241.15874	3.3
241.19620	2.6
243.13841	5.8
243.17256	2.3
245.15344	2.7
249.16335	4.1
251.17899	11.8
252.18387	3.1
253.19342	2.5
255.13687	4.6
257.15329	6.8
259.17014	5.5
265.16016	3.0
265.19440	2.5
267.13950	2.2
269.15530	3.5
269.19080	4.3
277.15918	4.0
279.17542	12.6
279.20551	2.2
283.17145	4.9
291.17426	3.2
292.21884	3.9
295.16943	6.9
297.18488	27.9
298.18954	3.3
299.20282	3.7
305.19073	5.1
315.19467	14.9
323.20114	14.3
337.21545	5.2
341.21118	3.1
351.23019	5.4
353.62158	2.5
367.26227	6.9
369.24268	6.6
371.14496	3.9
373.25250	8.6
391.26395	46.9
392.26654	5.9
401.24664	20.5
409.27078	12.4
419.25729	100.0
420.26254	11.6
437.26749	72.7
438.27264	6.6
438.35077	5.5
455.20288	3.4
455.27115	4.2
455.35919	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43413	3.1
53.03939	9.5
55.01899	3.0
55.05513	81.5
57.85977	3.5
59.05017	3.6
59.83894	3.3
65.03943	3.5
67.05502	30.1
69.03429	9.7
69.07056	18.9
71.05004	3.5
71.30131	3.1
79.05489	24.2
81.07061	37.7
83.04980	100.0
83.08627	3.8
91.05478	33.0
93.07038	42.6
94.55593	3.6
95.04971	8.4
95.08610	64.9
97.06521	8.7
105.07034	52.8
106.23116	3.4
107.08589	45.0
109.06509	10.5
109.10163	24.3
111.04449	8.8
111.08079	12.7
115.05446	7.2
117.07034	13.6
119.08578	37.4
121.06511	13.9
121.10163	30.9
123.08079	23.2
123.11723	11.5
125.09652	7.7
128.06244	9.8
129.07021	10.9
131.08574	27.8
133.06543	4.7
133.10117	34.6
134.10497	5.0
135.08054	11.6
135.11700	11.8
136.30304	3.6
137.05933	6.1
137.09616	7.6
139.07600	5.9
141.06985	12.2
142.07788	13.1
143.08600	25.9
144.09286	5.0
145.06505	6.6
145.10126	36.5
147.08054	11.9
147.11679	18.6
149.06105	5.6
149.09593	11.9
149.13277	8.7
153.05533	6.2
153.06999	4.2
155.08549	21.1
156.09381	8.5
157.06534	4.4
157.10130	42.1
159.08070	11.1
159.11671	26.7
161.09630	14.5
161.13271	9.3
163.11163	5.1
165.07014	6.5
167.07054	25.3
167.08499	7.3
168.09395	4.0
169.10159	23.9
171.08058	10.0
171.11668	24.1
173.09622	17.2
173.13246	17.0
175.07579	5.1
175.11197	17.0
175.14873	4.1
177.12744	4.1
179.08549	5.9
180.09361	5.3
181.10086	21.6
182.10973	4.1
183.08107	9.5
183.11646	18.3
185.09593	7.0
185.13278	19.5
187.11174	10.8
187.14870	8.2
189.09094	5.4
189.12766	12.7
193.10118	5.6
194.10828	6.2
195.08139	5.0
195.11732	26.1
196.12344	5.5
197.13200	27.2
199.11137	9.6
199.14787	9.4
201.12793	11.4
201.16582	5.4
203.10707	7.4
203.14520	3.6
203.17935	4.2
205.10262	3.8
205.12277	9.5
206.10815	5.0
207.11772	12.8
209.13229	21.4
211.11206	7.8
211.14850	14.8
212.12108	3.5
213.12781	15.9
213.16212	4.8
215.10776	5.6
215.14366	11.8
217.12308	9.8
217.15961	5.5
220.12662	3.7
221.13266	10.7
222.14058	5.0
223.11258	7.2
223.14833	12.9
225.12758	14.4
225.16354	7.0
226.09761	3.6
227.10625	4.5
227.14374	8.3
229.12279	12.8
231.13770	6.6
233.13411	4.2
235.14801	6.3
237.12772	5.3
237.16408	10.3
239.14148	8.3
241.12212	26.7
241.15846	5.8
243.13847	14.8
245.15474	5.0
249.16388	5.6
251.14369	3.9
251.17952	11.5
253.12030	4.6
253.19463	4.0
255.13802	10.5
257.15390	8.5
259.16992	5.3
269.15326	6.7
269.19037	5.6
277.15771	5.3
279.17554	6.1
281.15509	3.8
281.19049	7.4
295.17099	17.2
295.20160	4.2
296.17654	4.0
297.18481	47.2
298.18961	6.5
305.19000	5.4
309.18491	4.4
310.39548	3.8
315.19733	5.9
321.18762	6.9
323.09161	5.1
323.19977	44.8
335.19849	3.7
351.23355	4.0
355.11621	4.0
361.21518	5.0
373.25162	5.6
391.26373	46.1
401.24655	24.0
409.27457	37.7
419.25714	89.4
420.26236	14.2
437.26740	71.1
438.27475	5.4
455.21982	5.3
455.27478	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	10.5
55.05517	59.3
57.07080	8.2
60.50970	5.8
60.91412	8.3
65.94717	5.6
67.05508	17.9
69.07065	17.7
79.05496	15.4
81.07069	33.3
83.04988	83.9
83.08598	7.5
91.05479	15.7
93.07050	40.8
95.04974	6.8
95.08605	44.6
98.22697	24.5
98.23383	11.4
99.04463	6.8
105.07037	21.3
107.08600	27.5
109.10155	26.4
111.08144	8.1
116.63526	5.9
117.07011	10.3
119.08588	27.5
119.41359	5.8
121.10159	19.9
123.11700	8.2
125.66511	6.6
131.08572	9.5
133.10146	28.3
135.11696	12.6
143.08554	14.2
145.10112	18.6
147.11717	19.7
149.09505	7.3
149.13353	8.5
155.08583	10.2
157.10107	10.8
159.11713	19.4
171.11720	9.5
173.13345	10.2
175.11227	6.4
175.14839	10.7
185.13298	10.2
191.14395	7.1
196.11992	6.6
201.16420	8.6
203.17894	11.4
207.11792	6.4
209.13245	6.8
256.26456	9.7
281.76575	6.3
323.09088	8.1
362.25726	6.9
419.29346	23.6
437.34531	12.8
455.15857	100.0
456.16180	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.5
55.05512	19.2
57.07080	6.6
59.05013	1.6
65.03946	3.2
67.05507	33.6
69.07067	14.6
69.25087	6.9
69.25492	2.5
71.04985	4.2
76.71377	1.2
79.05493	22.2
81.07059	62.1
82.07397	1.6
82.45403	1.4
83.04984	6.5
83.08601	8.2
85.06544	2.2
91.05483	26.0
93.07047	49.5
95.04966	8.4
95.08607	100.0
96.08938	3.4
97.06533	4.2
98.22884	5.0
99.04469	2.5
99.08082	2.8
103.77915	1.6
105.07034	63.9
107.07858	3.3
107.08595	61.6
108.08925	1.7
109.06540	3.8
109.10156	68.5
110.10507	2.0
111.04451	1.4
111.08101	4.8
113.06019	2.9
113.09650	2.4
117.07022	9.0
119.08585	66.8
120.08942	2.8
121.06483	1.5
121.10142	44.6
123.08118	6.6
123.11711	29.6
124.12070	1.4
125.09659	3.9
129.06984	2.7
131.08574	19.8
133.10130	59.1
135.08096	1.7
135.11702	35.8
137.09619	2.3
137.13277	3.5
137.91202	1.4
139.11198	1.6
141.09111	1.4
143.08562	7.4
145.10118	32.2
146.10655	1.8
147.08148	1.6
147.11682	52.1
148.12067	2.0
149.09651	2.8
149.13232	11.2
151.39496	1.3
155.08533	3.0
156.09219	2.3
157.10152	8.9
158.10858	2.4
159.11696	41.6
161.09660	4.2
161.13260	85.3
162.13647	3.0
163.11197	4.1
163.14845	3.4
169.10138	2.9
171.11632	7.5
173.13275	26.1
175.11209	2.3
175.14822	16.5
177.16425	5.6
178.32591	1.3
179.14316	2.7
179.60889	1.3
183.11711	3.0
185.13268	6.3
187.14819	26.3
187.16370	2.1
188.15204	2.2
189.16373	26.4
191.10696	1.5
191.14340	2.7
191.17961	4.9
193.15953	1.5
195.11691	1.7
197.13255	3.2
199.14822	2.6
201.16397	27.4
202.16759	2.3
203.14355	2.6
203.17955	34.9
204.18333	1.9
205.15871	2.5
207.17441	2.2
211.14848	2.4
213.16376	2.7
215.14406	3.1
215.17940	11.4
217.15933	9.6
217.19537	4.4
219.17432	8.6
221.15372	5.0
223.07857	1.3
225.16435	2.5
227.17886	1.8
229.15955	4.3
231.17374	2.2
233.15276	6.7
233.19011	2.2
235.16920	16.5
241.19566	1.4
243.17429	1.6
247.16913	15.2
249.18695	1.8
255.10391	1.6
255.21126	2.8
261.18564	2.4
269.19330	1.4
315.12192	1.5
318.52225	1.5
327.26932	2.0
329.24713	3.3
339.12387	3.2
339.26953	2.3
343.15369	2.4
356.12643	3.3
371.14923	1.7
409.34628	5.2
419.33194	3.1
437.34357	33.5
438.34723	3.1
455.35422	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.0
55.05507	11.3
55.27711	1.6
57.07074	3.1
59.04994	3.4
66.55832	1.5
67.05505	38.5
69.03429	2.3
69.07068	10.8
69.71722	3.2
69.72143	4.7
71.04984	5.3
79.05484	18.0
81.07056	55.4
83.08629	4.0
91.05486	20.4
93.07041	47.6
95.04962	6.1
95.08604	100.0
97.06537	6.5
97.10163	2.4
99.08077	2.1
105.07035	43.9
107.08591	47.6
109.06518	3.2
109.10150	52.6
111.08081	7.3
113.06004	7.0
113.09682	3.5
117.07026	5.1
119.08583	39.1
121.06529	2.9
121.10142	45.8
122.10464	1.7
123.08097	8.9
123.11704	29.0
125.09629	6.1
129.06992	2.6
131.08543	14.8
133.06552	1.6
133.10130	47.2
135.08054	2.8
135.11702	33.9
137.13235	2.2
139.07520	4.6
139.11148	3.0
141.09102	3.4
143.08549	2.3
144.09349	1.8
145.10120	26.1
147.08009	3.0
147.11676	37.4
149.13252	7.4
157.10095	4.0
159.11703	25.1
160.12416	1.7
161.09625	5.5
161.13257	58.9
163.14813	4.9
165.93719	1.6
169.10072	1.7
171.11716	3.8
173.09689	1.8
173.13277	12.4
175.11153	3.9
175.14816	9.9
177.16388	5.0
179.10606	1.7
183.11739	1.5
185.13277	4.6
187.11154	2.7
187.14835	15.0
189.16408	20.4
191.14377	2.1
191.17877	1.8
195.17450	1.8
199.14845	6.0
201.16403	19.9
203.14322	3.1
203.17929	21.3
205.15857	2.9
207.17427	2.6
213.16356	3.0
215.14268	3.4
215.17882	10.8
217.15921	6.9
217.19530	3.8
219.17397	7.5
221.15340	6.1
221.18932	2.4
227.17873	2.7
229.15988	2.3
229.19510	2.0
231.17661	1.8
233.15349	5.7
233.19009	3.2
235.16930	25.0
241.19374	2.3
247.16983	12.0
249.18326	1.7
261.18542	2.4
276.37387	1.7
295.24008	2.2
329.24762	3.1
409.34512	2.0
419.33197	4.1
437.34189	29.0
438.34430	3.5
455.35281	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3524
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
53.03951	2.6
55.05518	11.8
57.03437	2.1
57.07071	4.8
59.04998	2.9
61.87229	1.3
65.03928	2.4
67.05505	36.5
69.07066	10.1
69.71876	5.8
71.04998	4.3
79.05492	22.2
81.07060	59.0
83.04980	3.7
83.08615	5.2
85.06553	1.5
88.36792	1.3
91.05478	20.6
91.09502	1.4
93.06464	2.2
93.07050	39.4
95.04966	5.6
95.08608	100.0
96.08922	2.0
97.06531	7.3
97.10182	2.3
99.08097	2.1
105.07031	49.3
106.07353	1.2
107.08593	52.7
109.06531	4.5
109.10155	55.0
110.10531	1.9
111.04433	1.5
111.08058	8.0
111.11852	1.3
113.06026	3.9
113.09624	2.6
115.05462	1.2
117.07027	7.3
119.08583	50.1
120.08953	1.2
121.06528	2.9
121.10147	41.8
123.08067	9.2
123.11707	28.6
123.12559	2.0
124.12038	1.3
124.93763	9.2
125.05939	1.4
125.09622	4.7
126.41338	1.2
129.06984	3.9
130.07814	2.0
131.08557	17.6
133.10132	44.3
134.10458	2.3
135.08047	3.5
135.11703	32.1
137.09616	2.8
137.13263	3.7
139.07523	2.4
139.11197	3.5
141.09137	5.5
142.07849	1.7
142.93796	1.3
142.94835	3.8
143.08578	5.6
144.09346	2.9
145.10127	23.8
147.08000	2.1
147.11687	34.1
148.12019	1.6
149.09628	1.5
149.13249	10.7
152.92189	1.3
155.08575	2.3
157.09027	1.2
157.10118	8.1
159.11703	25.4
161.09637	7.3
161.13258	62.1
162.13647	2.9
163.11229	2.8
163.14874	2.9
164.79968	1.3
169.10168	2.4
171.11670	7.1
173.09715	4.1
173.13255	14.9
175.11200	4.3
175.14825	13.4
177.12770	2.9
177.16385	4.3
179.10622	1.5
183.11703	2.1
185.13211	8.0
187.11205	2.2
187.14827	16.1
189.12746	3.8
189.16383	17.3
191.14378	1.8
191.17928	2.1
193.15926	1.5
194.58730	1.2
197.13269	3.4
197.21800	1.3
199.11192	1.6
199.14856	5.9
201.12836	2.2
201.16412	18.3
203.14374	3.0
203.17975	18.6
204.18492	1.8
205.12373	2.0
205.15836	2.1
209.13274	1.4
211.14915	2.8
213.16412	3.2
215.14369	3.5
215.17946	8.6
217.15932	7.7
217.19482	2.9
219.17390	6.7
221.15411	4.8
225.16331	2.4
229.15866	4.7
229.19540	2.0
231.17647	2.2
233.15364	4.6
233.19002	1.7
235.16931	22.2
236.17316	1.6
245.19011	1.8
247.16879	8.6
249.18529	1.8
255.21078	1.4
261.18484	2.4
273.22272	1.4
287.20087	1.8
293.22644	1.6
300.74774	1.4
313.25372	1.9
329.24695	3.3
339.26874	1.4
369.27902	1.5
409.34769	2.8
419.29343	4.3
437.20438	18.2
437.34625	19.6
438.34534	2.2
455.21503	15.3
455.30374	13.4
455.36017	5.0
456.21573	2.1
456.31494	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.9
55.05515	87.8
56.05839	3.4
57.03423	2.8
57.07061	5.4
67.05512	37.1
68.05818	3.0
69.03456	2.3
69.07082	15.4
69.07845	20.2
69.08235	5.5
71.05003	2.8
75.17228	2.4
77.18868	2.4
79.05492	24.1
80.05858	2.8
81.07058	48.9
82.07407	4.1
82.85002	2.8
83.04484	4.8
83.04983	100.0
83.08647	4.5
91.05471	33.1
92.05804	3.7
93.07043	48.9
94.07349	4.0
95.04973	9.4
95.08609	88.3
96.08958	10.3
97.06533	4.8
97.10178	3.8
105.07039	44.4
106.07378	5.1
107.08591	57.5
109.06515	10.6
109.10163	42.8
111.04475	4.3
111.08086	15.4
112.75871	2.4
113.06022	3.7
117.06969	12.6
119.08582	54.4
120.08961	5.0
121.06509	7.8
121.10147	43.0
122.10445	2.9
123.08073	23.3
123.11707	17.5
124.08429	4.1
125.09647	11.1
128.06274	3.1
131.08571	24.5
132.08943	3.4
133.10129	50.0
134.10461	3.4
135.08047	11.9
135.10732	2.0
135.11696	40.0
136.12064	3.8
137.09647	5.6
139.07516	5.7
141.06990	2.9
141.09119	8.1
142.07819	6.3
143.08598	14.5
144.08859	2.9
145.06551	3.0
145.10126	40.9
146.10486	4.4
147.08104	4.6
147.11708	40.1
149.09642	6.4
149.13284	10.2
151.11180	11.0
153.09128	4.0
155.08557	5.5
156.09088	5.3
157.10176	24.9
158.10588	5.8
159.08055	5.3
159.11716	35.9
160.12068	5.5
161.09650	9.8
161.13261	39.6
162.13550	3.0
163.11148	3.7
163.14771	6.3
168.09262	2.2
169.10129	10.8
170.10692	6.2
171.08054	2.8
171.11766	15.0
172.12146	3.4
173.09634	7.0
173.13278	21.4
174.13664	4.7
175.11211	10.5
175.14853	17.5
176.61169	2.7
177.12822	3.1
177.16508	2.9
180.09256	2.6
181.10132	6.1
182.10703	4.2
183.08061	3.3
183.11700	9.0
184.12112	6.3
185.09686	5.1
185.13341	14.2
187.11163	8.1
187.14810	18.7
189.16379	15.8
190.13187	3.0
193.10133	3.6
194.10706	4.4
195.06467	4.9
195.11676	8.9
196.12254	3.5
197.13219	7.5
198.13858	2.6
199.11192	3.8
199.14957	7.0
200.11671	3.1
200.15288	3.0
201.12735	5.3
201.16397	23.4
203.17931	17.6
205.15973	3.1
206.10721	3.0
207.11665	4.1
208.12411	2.9
209.13232	6.4
210.13676	3.0
211.14882	4.4
212.96420	2.7
213.12740	4.6
213.16393	3.9
215.18048	10.5
217.15808	2.6
219.17493	4.5
221.13382	3.1
222.13701	5.0
223.14786	6.4
224.15248	2.8
225.16269	4.9
227.14281	4.1
227.17946	4.7
229.15894	4.5
233.15442	2.9
235.16978	6.0
239.14386	5.4
239.17862	4.3
247.17064	8.3
251.14175	3.3
251.17874	3.1
255.21077	3.5
261.18494	5.2
279.20740	3.1
281.14453	2.7
297.21521	3.0
298.18750	7.1
301.21155	3.5
313.21231	2.9
315.19400	5.8
323.09329	4.7
343.21021	2.9
365.24600	3.8
379.22345	5.2
381.24020	2.9
383.25803	10.7
393.23502	3.5
395.29343	11.9
407.17188	2.8
413.30359	5.1
419.24948	8.5
419.29272	6.5
419.33609	4.4
437.30020	27.0
437.35052	19.5
455.31204	17.9
455.35779	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
53.03940	2.5
53.80014	1.5
55.05287	1.4
55.05516	12.3
57.03439	2.4
57.07071	5.0
59.05005	2.0
59.62434	1.5
65.03925	3.1
67.05506	35.0
69.07059	7.7
71.04998	2.7
71.08633	2.3
78.35534	1.5
78.97658	1.6
79.05503	23.1
79.61601	1.6
81.07057	51.1
83.04977	4.5
83.08612	6.5
85.06528	1.9
91.05486	24.1
93.07045	38.2
95.04972	7.1
95.08608	100.0
96.08931	2.0
97.06548	6.5
97.10192	3.8
98.22997	12.0
98.86909	1.7
99.08118	1.7
105.07032	40.2
107.08592	43.7
109.06497	2.6
109.10158	48.5
111.08086	6.2
113.05975	4.2
113.18799	1.6
117.06988	5.0
119.08585	46.2
121.10140	39.8
123.08070	5.5
123.11717	21.8
125.09650	4.6
129.07082	1.8
130.07785	2.2
131.08548	12.2
133.10133	35.0
135.08009	2.3
135.11673	26.4
137.13263	3.9
139.07574	2.2
139.11212	2.8
143.08586	6.4
145.10129	19.9
147.07990	2.6
147.11694	31.3
149.13329	8.3
157.10126	7.7
159.08101	2.4
159.11711	24.6
161.09625	6.5
161.13266	48.4
162.13536	2.4
163.14830	3.4
171.11713	5.6
173.09700	2.6
173.13286	10.7
175.11220	2.2
175.14801	10.7
177.16400	4.0
183.11588	1.7
185.13258	2.8
187.11206	2.3
187.14812	8.8
189.12747	2.2
189.16405	12.5
190.16745	2.2
197.13264	4.1
200.20236	2.3
201.16360	14.8
203.14375	2.1
203.17915	16.0
205.15919	2.8
213.16490	1.9
215.14299	3.1
215.17906	7.8
217.15858	5.2
217.19559	2.9
219.17427	5.6
221.15364	6.1
229.15901	2.7
233.15381	4.2
233.18896	2.1
235.16908	20.7
247.16971	8.7
297.48639	1.8
329.24713	2.6
409.34833	2.6
419.32889	3.6
437.29279	2.0
437.34256	17.2
438.34518	3.6
455.23621	23.3
455.36078	9.1
456.24335	2.8
456.44244	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96246	1.0
53.03944	1.7
55.05508	12.5
57.03446	1.6
57.07075	3.9
59.04998	2.7
61.58773	1.1
65.03940	2.0
67.05506	34.1
69.03424	1.8
69.07070	10.1
71.04995	5.1
79.05490	20.3
81.06579	2.7
81.07058	52.1
82.07375	1.7
83.04987	8.2
83.08627	4.4
85.06528	1.5
87.04437	1.1
88.31338	1.1
91.05486	25.6
91.06030	0.9
93.07047	41.5
95.04972	6.0
95.08608	100.0
96.08941	2.4
97.06541	6.8
97.10184	2.5
98.22988	8.2
99.04456	1.5
99.08096	1.2
105.07032	41.3
107.07864	2.6
107.08594	52.5
109.06509	3.0
109.10159	50.5
109.10927	2.6
110.10519	2.1
111.08081	8.7
113.05994	3.4
113.09663	2.2
117.07016	7.6
119.08575	40.7
120.08923	1.5
121.06488	2.9
121.10138	40.3
121.11014	2.1
122.10445	1.3
123.08072	9.3
123.11708	28.8
125.09618	4.6
129.06955	1.5
129.34200	1.3
131.08578	13.9
132.08975	1.3
133.10132	43.3
134.10474	1.7
135.08067	4.7
135.11693	32.2
137.09631	2.1
137.13272	3.8
139.07524	3.6
139.11166	4.3
141.09099	3.6
142.07822	1.6
143.08572	5.1
144.09329	1.5
145.10136	23.7
147.08076	2.2
147.11697	34.4
149.09630	3.1
149.13223	8.6
153.09074	1.7
157.10135	7.9
159.11685	23.9
161.09625	6.3
161.13261	53.8
162.13593	2.9
163.11169	2.3
163.14877	4.1
167.10637	1.4
169.10155	2.5
171.11700	4.3
173.13280	16.8
175.11221	3.9
175.14822	14.5
177.09315	1.3
177.12796	2.0
177.16406	7.2
179.14259	1.7
183.11673	1.7
185.13271	3.8
187.14809	16.0
189.12743	2.7
189.16405	20.3
191.14246	1.3
193.15927	1.9
197.13324	2.0
199.14868	4.8
201.12856	1.1
201.16399	18.6
202.16698	1.5
203.14391	4.3
203.17941	15.8
204.18275	1.5
205.15886	4.0
207.17415	1.8
211.14799	1.6
213.16380	3.5
215.14308	2.1
215.17931	8.4
217.15904	9.3
217.19556	3.7
217.35692	1.3
219.13921	1.6
219.17447	5.4
221.15315	6.7
225.16360	1.8
227.17990	1.5
229.15854	3.3
229.19600	2.6
231.17502	2.6
231.38232	1.1
233.15344	7.1
233.19026	3.8
235.16937	24.2
241.19579	2.3
247.16956	13.2
249.18474	2.6
250.25853	1.1
257.22946	1.3
259.20651	1.5
261.18622	2.0
273.18622	1.2
329.24631	3.9
339.26907	1.4
369.28262	1.7
376.20807	1.2
381.31723	2.5
396.88351	1.2
409.34579	2.7
419.32822	4.8
437.34140	27.2
438.34299	2.6
455.25748	2.1
455.35257	17.7
455.42368	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	38.0
55.12122	6.2
57.07082	16.5
67.05505	34.8
67.06689	6.2
69.07079	42.5
71.33141	10.0
75.10133	6.9
79.05492	32.7
81.07060	77.9
83.04958	11.5
83.08611	25.6
85.06513	7.1
88.07639	11.6
91.05473	23.0
93.07046	57.4
95.08611	100.0
97.06533	13.4
97.10155	15.0
104.73057	7.8
105.07030	67.3
107.08604	79.6
109.06544	9.6
109.10167	72.9
117.07025	7.7
119.08578	71.3
121.10151	74.5
123.08047	10.6
123.11706	26.7
125.09624	15.3
127.07478	7.1
127.93279	7.3
129.38736	7.6
131.08563	23.2
133.10162	52.2
135.11705	36.9
143.08525	16.0
145.10159	40.8
147.11665	40.5
149.13246	25.1
157.10204	18.8
159.11752	35.8
161.09612	13.5
161.13254	27.7
163.11147	11.9
163.14853	8.9
169.10172	10.2
171.11668	21.1
173.13278	21.7
175.11148	9.9
175.14891	19.8
187.14810	9.4
189.12701	8.2
189.16405	20.9
197.13339	9.6
199.14761	12.1
200.20032	17.9
201.16403	22.6
203.14395	13.2
203.18040	18.4
211.14890	7.7
213.16357	8.8
215.17931	12.8
219.17368	8.6
228.24947	6.9
231.17477	11.9
235.16833	8.5
283.26343	11.8
283.41928	6.6
316.60681	7.3
419.33212	14.2
430.85834	7.4
437.34177	44.5
455.35126	44.4
456.35379	12.8
456.44034	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	Krukovine A
Peak:m/z	Relative Intensity
51.29832	1.6
55.05519	8.8
57.07080	2.6
67.05499	10.5
69.03437	1.9
69.07065	8.7
71.32050	2.0
71.32424	2.1
79.05499	10.9
81.07055	23.3
83.04976	4.9
83.08614	5.3
84.91348	1.7
85.06565	1.6
91.05463	11.5
93.07047	15.7
95.04971	3.1
95.08611	23.5
97.06539	4.8
99.08092	3.1
105.07034	18.4
107.08590	25.2
109.06523	1.8
109.10168	18.4
111.08063	3.2
117.07077	2.7
119.08582	29.5
121.06536	4.4
121.10149	15.0
123.11719	7.3
124.93774	33.6
125.05994	6.8
125.09550	2.2
129.06990	1.9
131.08577	7.3
133.10120	25.5
134.10532	2.0
135.08061	4.5
135.11707	28.3
136.11983	2.3
137.09616	2.6
139.07588	4.8
142.94835	9.6
143.08557	4.2
145.10115	12.8
147.08032	3.4
147.11676	20.9
149.09642	4.4
149.13258	5.1
151.11258	3.0
157.10129	5.5
159.11737	9.1
161.09616	2.9
161.13260	7.0
163.14799	7.9
169.10130	4.3
171.11743	3.5
172.12547	2.1
173.09613	10.0
173.13301	3.5
175.11195	8.8
177.09132	5.5
177.16423	3.2
183.11795	2.4
185.13237	2.7
187.11278	11.0
187.13379	2.7
187.14740	12.0
189.16362	43.2
190.16696	2.2
191.10757	3.3
195.11699	2.1
197.13382	3.9
199.14915	5.0
201.12671	2.6
201.16405	6.0
203.17984	2.0
205.15947	4.3
207.17444	100.0
208.17839	4.3
211.14723	3.6
213.13025	1.8
213.16272	4.1
215.14322	16.5
215.17900	3.1
217.15907	3.5
229.15878	80.4
230.16251	3.7
231.17421	11.2
233.15382	34.5
243.17412	5.6
247.16931	28.4
248.17189	2.4
249.18468	1.9
257.18820	2.3
261.18478	2.1
283.20438	4.8
419.32925	4.8
437.20462	66.5
437.34149	46.0
438.20941	5.1
438.34509	5.0
455.21512	43.2
455.28400	3.7
455.35217	79.8
456.21701	5.7
456.35538	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95631	0.7
55.01883	3.2
55.05492	1.1
57.03440	5.8
57.07078	1.8
59.04992	0.7
61.02916	2.1
62.49113	0.7
69.03426	5.8
69.07042	0.7
69.16917	3.3
69.17334	1.8
70.06577	0.9
71.01360	1.1
71.04993	11.5
73.02921	8.9
73.06549	1.6
75.04436	0.8
81.03398	0.9
83.08597	0.8
85.02907	12.7
87.04486	0.8
87.08106	1.2
97.02894	8.9
98.23373	1.3
109.02869	0.7
109.10146	4.2
115.03944	5.1
127.03914	3.2
127.11193	29.6
133.04956	5.9
145.04990	3.2
145.12234	100.0
146.12563	2.4
163.05994	1.3
223.05948	0.8
315.75031	0.8
333.76636	0.7
456.13519	7.5
456.22812	3.0
457.13339	1.6
457.23959	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	13.6
57.03439	26.6
57.07075	6.4
59.04997	4.5
61.02924	14.1
62.40368	1.7
67.05534	2.1
69.00166	11.2
69.00587	8.5
69.03079	3.2
69.03428	38.8
71.01357	5.6
71.04987	3.0
73.02914	40.8
80.48935	1.6
81.03421	6.4
84.59189	1.9
85.02902	100.0
85.10210	2.1
87.04467	5.9
91.03957	7.0
97.02889	57.7
98.03195	2.4
99.04491	3.3
103.03948	5.1
109.02902	5.6
109.10145	17.4
115.03928	22.9
117.45093	1.7
127.03920	32.2
127.11161	16.7
132.06540	4.9
133.04962	42.5
144.06551	3.9
145.04945	45.4
145.12230	6.8
150.07648	6.8
162.07581	2.2
163.06033	13.2
169.04834	2.0
180.08694	2.9
217.12335	1.9
223.05931	2.8
241.07127	5.8
259.08279	2.6
264.12146	1.8
271.15231	2.3
289.16443	10.4
456.22928	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	4.3
55.05507	4.9
57.03440	49.6
57.07082	14.0
59.05004	5.2
61.02926	11.7
61.49752	4.1
64.83852	3.4
68.16647	4.0
69.03435	81.8
69.07072	4.8
69.99259	16.2
70.12034	3.8
71.05030	4.0
73.02911	59.5
81.03412	6.9
81.04350	4.0
81.07072	5.7
85.02905	96.0
87.03978	6.2
87.04471	47.6
93.07030	6.2
95.04950	6.4
97.02905	85.7
105.07062	5.9
107.08604	9.9
109.02905	5.6
109.10155	23.9
115.03925	85.0
119.08569	5.4
127.03967	20.7
127.11201	12.0
133.04967	89.9
137.09616	4.7
144.06639	7.3
145.04959	37.9
145.10121	7.2
150.07590	5.7
151.07539	17.4
160.12100	4.5
163.06079	13.3
180.08630	5.7
220.71024	5.1
241.07014	4.2
282.49820	4.3
289.16483	14.3
294.17542	10.8
438.53317	4.5
455.90970	4.6
456.24069	100.0
457.19742	6.2
457.24310	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01868	1.9
55.05502	2.6
57.03440	12.2
61.02930	1.6
69.03427	3.3
69.19601	6.7
71.04993	69.6
72.05327	1.7
73.02921	2.7
75.04485	3.9
79.05481	2.1
81.03420	1.6
81.07059	1.8
83.04978	8.6
85.02904	100.0
86.03226	1.3
87.04465	1.9
95.08583	1.3
97.02888	4.2
99.04486	1.7
101.15769	1.0
105.07069	1.1
109.02927	1.1
109.06584	1.2
109.10119	1.3
111.04437	4.6
127.03939	6.7
129.05476	41.1
145.04962	7.4
147.06511	24.4
156.09494	1.3
163.06027	5.1
164.09193	4.6
170.20760	1.1
255.08676	1.6
273.09787	1.4
275.70865	1.1
410.24103	1.3
438.23938	1.9
456.23679	19.3
457.23651	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07550	1.4
55.01867	5.4
55.05500	1.9
57.03439	17.2
61.02922	12.9
67.05508	2.0
69.03431	35.6
70.49455	1.4
70.53001	2.9
71.01347	2.4
71.04989	2.2
73.02919	55.1
79.05495	2.2
81.03403	6.7
81.07051	5.5
85.02904	100.0
86.03242	1.9
87.04475	4.1
91.03959	3.1
91.05489	4.6
93.07056	3.3
95.08641	1.3
97.02891	56.6
97.06537	1.3
98.03200	1.5
99.04453	5.6
103.03918	1.9
105.07048	3.8
109.02859	9.8
109.06516	3.8
109.10199	1.2
111.04428	1.7
115.03919	26.7
116.43186	1.5
118.22333	1.3
119.08569	1.7
120.08113	2.8
123.04465	2.0
127.03915	30.7
129.07082	1.5
130.64949	1.1
133.04974	30.9
133.10199	1.4
133.20490	1.4
136.43370	1.3
137.05977	3.6
139.07552	2.3
142.07808	1.7
143.08354	1.8
145.04959	44.4
145.10101	1.5
148.08421	1.5
150.02667	1.5
157.10130	2.9
158.10536	1.3
161.09564	1.7
163.06039	18.1
167.05701	1.3
167.07031	5.6
168.07378	1.5
175.11148	4.6
176.11516	2.4
179.10603	1.4
183.11697	1.4
190.07713	1.2
199.05949	2.7
213.42282	1.4
217.07039	1.3
223.05997	4.6
241.07047	4.2
259.08151	4.4
265.10715	4.9
266.11038	5.4
438.23410	3.3
456.24918	9.0
456.35571	2.5
457.22607	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24519	0.2
55.01848	0.2
55.05505	0.6
57.03426	0.2
64.47083	0.2
67.05507	1.0
67.42107	0.2
69.03419	0.6
69.07078	0.5
69.23176	0.7
69.23596	0.7
71.04978	0.3
72.01713	0.2
73.03691	0.2
76.61051	0.2
79.05490	0.6
81.03403	0.3
81.07053	1.3
83.04971	0.8
83.08566	0.3
85.02910	0.4
86.09697	0.3
91.05486	1.4
93.07054	1.2
95.04961	0.4
95.08597	1.5
97.02890	0.2
97.06512	0.4
105.07021	1.1
107.04962	0.3
107.08613	0.9
109.06513	0.5
109.10140	0.7
111.04481	0.3
111.08060	0.2
117.07058	0.2
119.04970	0.9
119.08582	1.1
121.06458	0.3
121.10134	0.6
123.04433	0.3
123.08088	0.5
125.05956	0.2
125.09695	0.4
129.07008	0.4
131.08583	0.7
133.10118	0.6
135.08054	0.4
135.11720	0.4
136.84981	0.2
137.06000	0.5
137.09613	0.4
139.07480	0.2
143.08554	0.4
145.10135	0.8
147.04398	2.1
147.08075	0.3
147.11644	0.4
149.02094	8.6
149.06026	0.4
149.09599	0.3
149.13290	0.2
151.07550	0.8
155.08516	0.2
157.10132	0.2
159.11662	0.3
159.13646	0.2
161.05974	0.3
161.09612	0.3
163.03944	0.3
165.09122	1.4
167.03123	0.3
167.05746	0.2
167.07050	0.3
169.10175	0.3
173.09601	0.3
173.13353	0.2
177.09119	0.4
187.11200	0.3
191.10689	0.4
192.10400	0.3
202.12990	0.2
203.10687	0.4
205.12234	0.3
213.12721	0.3
265.11880	0.4
277.17767	0.3
279.12183	0.4
295.18808	0.3
299.06036	0.2
331.07867	11.1
332.08215	0.6
361.02466	1.2
379.03296	0.4
456.22482	0.3
457.11029	100.0
457.24023	17.3
458.11365	8.0
458.24567	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.1
59.04995	3.5
61.02910	0.8
68.13876	0.5
69.03423	1.6
70.06591	1.1
71.05000	1.1
71.29245	0.6
73.02917	1.6
78.89421	0.4
81.81641	0.5
85.02898	3.6
87.04446	0.5
91.05491	0.7
97.02885	1.9
101.06023	1.6
105.07038	0.8
107.04956	4.0
109.02881	0.5
115.03903	2.5
119.04978	0.6
122.06010	1.4
127.03892	1.3
127.07576	0.5
127.79302	0.5
129.05469	10.4
133.04944	1.4
134.06067	0.6
136.07558	2.7
138.05528	0.6
140.01637	1.3
145.04984	1.0
145.06493	1.7
145.08554	0.9
146.05989	0.6
147.04417	1.4
147.06503	4.6
148.65248	0.4
149.02113	5.0
152.07056	0.7
153.01875	0.7
160.07581	1.4
163.03914	0.8
164.07053	2.7
165.07249	0.5
172.07533	2.4
174.09120	2.1
177.05226	0.5
182.08171	1.9
184.07587	0.8
185.04184	0.8
241.04953	0.7
243.08530	0.8
262.08725	0.9
263.09476	1.1
266.11710	2.6
276.10284	0.6
278.11761	8.3
295.08124	0.8
295.14557	1.2
311.07376	0.7
325.09262	0.5
331.09961	10.4
421.12341	0.7
439.11795	1.6
440.16867	4.8
441.18039	0.6
457.13089	100.0
457.23901	6.5
458.13293	7.8
465.77829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1313
Annotation	Neurodazine
Peak:m/z	Relative Intensity
54.67259	0.5
56.37746	0.5
58.64851	0.5
70.52675	0.5
85.02900	1.7
105.07025	0.7
123.04421	2.0
139.03886	3.9
140.04216	1.3
141.04379	0.8
141.06580	1.0
149.02107	7.0
163.03877	0.8
185.04205	1.5
213.85832	0.5
260.10306	1.4
278.11349	6.8
293.51227	0.6
311.07416	4.6
331.10034	8.1
383.28098	0.7
457.13022	100.0
458.13403	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43894	0.4
63.31627	0.3
70.06594	2.0
70.58061	0.7
71.59355	0.3
82.12344	0.4
83.01102	0.8
93.07046	0.9
95.01110	1.1
103.05456	0.6
112.07619	0.8
113.02132	1.7
116.07092	0.5
121.06507	16.6
138.09143	6.7
147.04266	0.5
158.08167	1.6
163.03873	0.7
167.03262	0.7
175.03661	2.4
185.04239	2.6
201.03671	0.8
203.05269	0.7
220.07204	0.8
231.13400	0.4
240.99915	0.4
259.08038	0.7
278.11295	2.5
295.11661	0.9
383.13043	0.9
409.15286	0.5
457.16852	100.0
458.17181	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63151	1.1
56.90423	1.1
69.78287	4.3
69.78691	2.5
70.85693	1.3
72.50298	1.2
98.22632	1.4
115.05482	2.9
117.05802	1.8
132.08099	4.8
158.30350	1.1
160.07582	100.0
161.07938	3.4
177.10214	12.6
178.10484	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
56.83265	1.2
56.96558	2.3
59.34290	1.3
65.85915	1.3
67.15372	1.2
71.15704	2.5
72.99820	1.4
77.34178	1.1
83.04961	2.8
91.05473	3.0
93.07027	2.5
95.08588	3.5
98.97543	1.2
105.07017	2.5
107.08591	1.6
119.04918	2.2
119.08557	2.8
131.08527	1.4
135.08029	2.0
137.05995	1.6
139.07538	1.1
141.06960	1.6
147.04399	6.7
147.11639	1.3
155.08647	1.4
159.08022	1.4
161.09596	2.2
162.29626	1.3
165.09073	1.8
166.73206	1.1
169.10138	2.6
173.09610	1.5
181.10158	2.1
185.09579	1.8
192.09404	1.2
193.10220	1.7
197.09555	1.8
207.11729	1.6
207.82408	1.4
209.09676	1.4
231.11693	1.6
237.12788	2.6
243.11818	1.2
249.12730	1.4
256.12170	2.1
257.13208	1.5
259.11145	1.8
261.16309	1.3
263.14362	1.3
271.14832	1.5
273.12729	1.5
295.15714	3.7
299.14120	1.9
308.15878	1.3
309.27353	1.3
325.15964	1.5
325.31989	1.2
328.05402	1.5
337.16705	5.5
358.19385	1.3
400.65448	1.5
411.23154	1.5
429.24091	3.6
439.22534	5.7
457.22046	100.0
458.22391	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01867	1.5
55.05510	3.7
57.03429	0.7
63.39841	0.6
65.03931	1.1
66.91721	0.6
67.05505	6.0
69.03429	2.9
69.07059	0.8
71.04996	0.7
74.28560	0.6
78.61786	0.6
79.05508	3.6
81.03387	0.7
81.07059	4.4
83.04982	10.2
91.05473	9.0
93.07047	8.9
95.04967	2.7
95.08607	8.7
97.02890	2.6
97.06553	1.1
103.05460	0.9
105.07035	8.3
107.04952	1.0
107.08607	4.6
109.02876	0.8
109.06537	2.1
109.10172	1.5
111.04438	6.3
111.08065	3.1
115.05442	2.1
116.06275	0.7
117.06997	4.0
119.08581	8.6
121.06543	4.9
121.10142	2.4
123.04411	0.7
123.08072	3.0
125.05995	0.9
128.06207	5.2
129.07019	6.6
130.07803	1.7
131.08574	6.3
133.06485	1.9
133.10092	5.7
135.08060	4.9
137.05995	1.5
139.07510	1.4
141.06970	5.8
142.07771	5.0
143.04890	0.8
143.08542	7.7
144.09288	0.7
145.06485	2.9
145.10124	5.9
147.04393	0.7
147.08054	2.8
147.11722	2.5
149.09677	0.8
152.06248	2.2
153.05489	1.4
153.06976	2.8
154.07790	3.9
155.08560	8.1
156.09369	2.6
157.06476	4.6
157.10092	6.1
158.07253	3.7
158.10802	1.1
159.08032	5.6
159.11650	4.3
160.08818	0.6
161.06027	1.5
161.09586	4.8
163.11246	1.4
165.06985	4.9
166.07722	3.1
167.08549	6.9
168.09361	1.9
169.06523	2.3
169.10158	8.7
170.07297	1.8
170.10777	0.7
171.08052	4.7
171.11685	4.1
172.08849	1.9
173.06004	1.0
173.09615	23.8
173.13257	0.8
175.07521	2.1
175.11214	2.2
178.07797	2.5
179.08565	5.0
180.09242	3.1
181.06554	1.6
181.10085	4.1
182.07262	1.1
182.10883	1.2
183.08040	4.6
183.11697	4.1
184.08713	0.6
185.09605	6.9
185.13242	1.6
186.10278	0.6
187.07617	1.2
187.11157	6.7
189.06981	0.8
189.09221	1.0
190.07771	0.9
191.08519	2.0
191.10638	0.9
192.09317	4.6
193.10114	7.2
194.10876	2.6
195.08043	8.0
195.11664	4.6
196.08769	2.0
196.12143	1.0
197.05992	1.2
197.09616	15.7
197.13269	2.0
198.10030	0.6
199.07585	4.1
199.11198	3.0
201.12770	2.6
202.07727	0.8
203.08638	3.0
204.09315	2.5
205.10161	2.9
206.10887	3.3
207.08060	1.6
207.11685	5.9
208.08826	2.1
209.06480	0.7
209.09616	7.6
209.13260	2.5
210.10364	1.7
211.07581	2.5
211.11169	10.4
211.14774	1.3
213.09116	10.6
213.12628	1.2
214.09520	1.0
215.08548	2.4
216.09352	2.1
217.10129	3.5
218.10884	2.6
219.08110	1.7
219.11639	4.6
220.08885	1.5
220.12456	2.0
221.09602	3.1
221.13239	3.2
222.10356	2.4
223.07642	1.0
223.11154	7.3
223.14803	0.8
224.11876	1.4
225.09171	3.2
225.12677	4.2
226.13403	1.0
227.08514	0.8
227.14288	2.2
228.09271	0.9
229.10158	2.6
229.12241	0.8
230.10957	3.2
231.11784	4.5
232.08823	1.9
232.12489	1.9
233.09604	3.8
233.13202	3.6
234.10297	0.9
234.14093	0.9
235.11180	9.3
236.08192	0.7
236.11954	1.5
237.09146	1.2
237.12720	4.9
239.08589	1.3
239.10699	7.3
239.14310	3.9
240.09108	0.7
241.10120	2.3
241.12331	1.0
242.10956	2.6
243.08028	0.9
243.11682	5.4
244.12477	3.5
245.09633	2.6
245.13206	4.7
246.10394	2.4
246.13937	2.2
247.11198	7.3
247.14812	2.0
248.11716	1.4
249.09175	1.5
249.12653	3.9
251.10693	2.3
251.14403	1.3
252.09360	0.8
253.10034	1.4
253.12311	1.5
254.10796	1.0
255.11694	3.0
255.13953	1.1
256.12433	3.7
257.13287	6.1
258.10507	1.2
258.14011	3.8
259.11279	2.8
259.14774	6.4
260.11954	3.2
260.15695	0.8
261.12744	4.7
261.16354	1.4
262.13412	1.1
263.10696	3.2
263.14175	2.2
265.12280	5.8
267.11511	3.0
267.14069	0.9
268.12515	2.3
269.09668	2.1
269.13150	3.3
270.10410	0.9
270.13998	1.7
271.11295	1.8
271.14761	5.2
272.12201	1.4
272.15521	2.4
273.09320	0.9
273.13040	4.4
273.16010	4.1
274.10144	0.7
274.13492	2.6
275.10941	1.3
275.14294	5.9
275.17191	0.8
276.14832	0.9
277.12430	1.5
277.15906	2.2
279.13992	1.2
280.12512	1.1
281.13287	1.5
282.14020	2.3
283.11154	1.4
283.14740	3.4
284.15793	1.6
285.12738	3.5
285.16321	2.1
286.13477	2.0
286.17007	1.4
287.14267	5.0
287.17804	1.7
288.15060	1.9
289.12219	1.6
289.15814	4.2
290.16620	1.0
291.13763	1.6
294.13950	1.2
295.11316	0.9
295.14764	1.8
296.15582	1.0
297.13049	1.1
297.16385	3.7
298.13541	1.6
298.16733	1.1
299.14325	4.5
299.18005	1.9
300.15060	2.4
301.12247	2.1
301.15939	6.2
301.19394	1.3
302.13242	1.0
302.16400	1.4
303.13785	3.7
303.17468	1.9
305.15503	1.2
307.14706	1.1
309.12961	0.9
310.13684	1.0
311.14264	2.1
311.17691	1.3
312.15228	1.0
312.18549	1.0
313.15778	2.3
313.19232	1.0
314.16537	1.0
315.13773	1.7
315.17453	5.4
316.14658	1.3
316.18167	1.1
317.15430	6.6
317.18790	1.0
318.15961	2.6
319.17145	1.1
323.14166	1.1
323.17917	1.2
325.15869	3.4
325.19315	0.8
327.13870	1.2
327.17392	2.9
329.15311	1.6
329.19000	4.0
330.19543	1.6
331.16901	1.6
332.17712	0.9
337.15829	0.8
339.17453	1.6
340.18213	2.0
341.15326	0.9
341.18994	1.6
343.16919	7.3
343.20724	1.0
344.17459	1.2
345.18497	3.1
347.19965	3.3
348.15005	0.9
349.15955	1.5
350.16489	1.0
351.17487	0.9
351.21402	0.8
355.16949	1.3
357.18521	2.2
358.19220	2.7
359.19992	1.1
369.18344	1.3
369.22598	1.2
378.19724	1.6
379.20523	1.7
381.18463	1.0
382.19412	0.8
383.24020	1.0
393.22159	4.3
397.21878	4.8
398.22073	1.3
403.20718	0.9
411.23187	9.9
412.23633	1.4
415.22955	7.6
421.21686	8.2
422.21918	1.7
429.24237	8.9
439.22668	22.8
440.22913	3.1
457.23718	100.0
458.23938	11.1
475.24661	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01867	0.7
55.05495	1.3
67.05508	2.8
69.03439	1.9
69.07053	0.6
70.16644	1.4
76.04385	0.3
79.05505	2.6
79.05882	0.5
81.03396	0.4
81.07059	3.2
83.04965	1.3
83.08633	0.5
85.02916	0.8
91.05485	6.3
93.07046	4.2
95.04967	1.3
95.08614	3.2
97.02888	9.1
97.03508	0.5
97.06518	0.4
99.04439	1.1
105.04496	0.4
105.07030	4.5
107.08582	2.1
109.02892	3.2
109.06517	3.1
111.08083	1.0
113.02368	0.8
115.05457	1.1
117.07039	1.8
119.04953	0.5
119.08561	3.1
120.05502	0.4
121.06538	0.9
121.10140	1.1
123.08067	0.7
127.03899	0.6
128.06221	1.8
129.06989	3.1
131.08551	3.4
133.06476	0.6
133.10161	2.9
135.08084	1.0
137.05965	3.5
139.07570	0.5
141.07004	3.3
142.07814	1.9
143.08542	3.0
144.05652	0.4
144.09335	0.6
145.06519	1.2
145.10139	2.4
146.10570	0.4
147.08063	1.3
147.11696	1.2
149.09642	0.5
152.06255	0.8
153.07013	2.5
154.07758	4.3
155.08548	9.2
156.09256	1.5
157.06544	0.9
157.10123	2.9
158.07289	0.4
159.08064	2.0
159.11678	1.5
161.09593	1.5
165.07002	3.3
165.09186	0.7
166.07770	1.4
167.08563	4.5
168.09407	2.0
169.06485	0.6
169.10141	12.5
170.10741	0.6
171.08057	1.5
171.11710	1.6
173.09656	1.2
173.13174	0.5
178.07750	2.8
179.08557	4.8
180.09296	2.1
181.06450	1.5
181.10123	2.7
182.07269	1.8
182.10712	0.5
183.08072	1.5
183.11662	2.0
184.12529	0.5
185.09613	2.0
185.13248	0.8
187.11139	0.7
189.07047	0.6
189.09102	0.6
190.07733	0.4
191.08574	1.1
192.09335	4.1
193.10114	5.4
194.10919	2.4
195.08083	2.5
195.11681	4.4
197.09618	12.9
197.13351	1.0
198.10208	0.7
199.11151	0.7
202.07768	0.9
203.08601	1.8
203.10657	0.6
204.09413	1.5
205.10149	3.3
206.10922	4.0
207.08119	0.7
207.11673	6.6
208.08797	0.7
208.12491	0.8
209.09648	1.8
209.13190	2.3
210.10457	1.0
211.11110	2.3
213.09201	0.9
213.12895	0.5
215.08583	1.6
215.10707	1.6
216.09297	1.9
217.10164	3.2
218.10884	1.8
219.08131	1.0
219.11661	5.4
220.08846	0.8
220.12421	1.2
221.09613	1.4
221.13286	2.9
222.10281	0.7
223.11147	2.9
225.12770	0.9
227.08498	0.5
228.09216	1.1
228.67522	0.4
229.10120	3.8
230.10793	2.9
231.08104	0.8
231.11662	4.8
232.08797	0.9
232.12459	1.8
233.09573	1.7
233.13202	3.2
234.10338	0.9
234.13968	1.0
235.11165	3.0
235.14893	1.0
236.11906	1.1
237.12720	3.1
239.08450	0.7
240.09343	0.7
241.10216	0.9
242.10948	2.2
243.11684	4.9
243.13914	0.6
244.12439	4.9
245.09615	1.6
245.13188	5.2
246.10297	1.0
246.14037	1.6
247.11169	2.6
247.14796	1.8
248.11920	0.9
248.15215	0.4
249.12769	2.9
249.16232	0.5
252.09402	0.4
253.10130	1.0
253.12482	0.6
254.10837	0.9
255.11592	2.3
256.12570	2.2
257.09439	0.5
257.10312	0.4
257.13263	5.9
258.10391	0.7
258.14023	4.2
259.11108	2.4
259.14838	6.2
260.12054	1.3
260.15463	2.1
261.12726	3.1
261.16385	1.3
262.13229	0.7
263.14343	0.6
264.14685	0.5
267.11691	1.3
268.12460	2.1
269.09714	0.7
269.13257	3.4
270.10129	0.5
270.14047	2.4
271.11209	1.6
271.14810	4.1
272.11987	1.4
272.15558	2.4
273.13086	2.3
273.16293	3.1
274.13538	1.0
274.17096	2.2
275.14487	1.9
275.17462	0.5
276.15060	0.6
277.15796	1.0
281.13239	1.3
282.14249	0.9
283.14676	2.3
284.12289	0.8
284.15546	1.8
285.12753	2.2
285.16348	2.8
286.13470	1.2
286.17123	1.4
287.14288	5.0
287.17975	3.7
288.14838	1.2
288.18359	0.5
289.16016	0.9
289.19385	0.5
294.13873	0.7
295.14789	1.0
297.12766	0.8
297.16388	1.8
298.13614	0.6
298.17026	1.0
299.14282	2.9
299.17960	2.0
300.15216	1.0
300.18466	0.8
301.15863	4.3
301.19476	1.6
302.16675	3.3
302.19995	0.6
303.17389	2.2
303.20901	0.7
306.13904	0.5
307.14841	1.2
309.16486	0.8
310.13513	0.6
310.17227	0.7
311.17816	0.9
312.14999	0.5
312.18713	0.5
313.15778	1.4
313.19226	0.7
314.16592	1.4
314.20062	0.5
315.17365	1.7
317.15543	0.6
318.16370	0.8
323.14310	0.5
325.15765	1.0
327.17355	2.9
329.15497	0.4
329.18985	7.6
330.19592	1.2
331.20462	3.7
340.18436	0.6
341.19159	0.7
342.19672	1.6
343.20526	1.4
359.19934	0.6
393.22269	0.7
397.21686	1.4
411.23181	3.6
415.22873	4.7
421.21573	1.5
429.24292	5.1
439.22635	9.9
440.22894	1.0
457.23715	100.0
458.24081	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
53.25530	0.3
55.05507	0.6
59.05001	0.4
65.03940	0.4
67.05492	1.5
69.03427	2.0
69.07038	0.4
69.90451	0.6
69.90813	1.4
70.39328	0.4
79.05496	2.6
81.07058	1.9
83.04974	0.4
91.05483	5.3
93.07035	1.6
95.04985	1.0
95.08595	0.7
103.05475	0.9
105.07028	5.6
107.08600	1.5
109.06499	0.6
110.62839	0.3
111.04404	0.5
112.41053	0.3
112.81618	0.3
114.10693	0.4
115.05440	1.1
116.06238	0.7
117.07030	1.5
119.08577	2.9
121.06501	1.4
121.10108	0.4
123.08051	0.6
128.06223	3.7
129.07008	4.5
130.07822	0.9
131.08566	8.4
133.06487	8.5
133.10135	4.5
134.06833	0.3
135.08049	1.3
141.06978	3.8
142.07809	3.2
143.08566	7.8
144.09055	0.8
145.06488	0.9
145.10114	2.1
146.07220	0.6
147.07985	1.1
148.20686	0.3
153.06989	1.9
154.07748	1.7
155.08554	5.2
156.09344	7.7
157.10127	5.6
158.07246	0.8
159.08070	5.9
159.11636	0.6
161.09618	6.6
165.07010	2.8
166.07742	1.2
167.08582	4.0
168.09381	1.2
169.06485	1.2
169.10121	9.5
170.07169	0.7
171.08089	2.0
171.11682	10.3
172.12033	0.4
173.09587	2.1
174.10396	0.4
175.11276	1.0
177.09174	0.6
178.07787	1.0
179.08572	6.4
180.09315	2.7
181.10124	3.5
182.07304	1.2
182.10760	0.9
183.08012	1.9
183.11682	1.5
184.08795	1.5
185.09628	2.9
185.13252	0.8
187.07480	2.5
187.11211	0.8
189.09135	1.3
191.08621	0.8
192.09334	1.5
193.10156	5.0
194.10887	6.0
195.08040	1.3
195.11693	5.7
196.08746	0.7
196.12398	0.9
197.09602	4.0
197.13245	1.2
198.10306	1.0
199.11224	2.9
201.09154	0.8
203.08621	0.8
203.10550	0.6
204.09337	0.7
205.08603	1.6
205.10236	0.9
206.10925	2.1
207.08011	1.0
207.11691	5.3
208.08871	0.9
208.12479	2.8
209.09618	1.2
209.13252	11.3
210.10446	0.5
210.13815	2.1
211.07631	0.4
211.11205	1.9
211.14844	1.4
213.09227	0.4
213.12683	1.3
215.10625	0.4
217.10152	0.5
218.10806	0.7
219.11787	1.7
220.08870	0.9
220.12279	0.6
221.09622	1.9
221.13231	3.0
222.10419	2.3
222.13992	0.4
223.11206	3.5
223.14731	3.2
224.88100	0.4
225.09232	0.4
225.12743	1.1
227.10753	0.6
229.10141	0.8
230.11028	0.6
231.11710	1.5
232.12376	0.9
233.09546	0.6
233.13251	1.3
234.10411	0.7
234.13799	0.5
235.11203	2.4
235.14742	0.6
236.11890	1.4
237.12717	6.4
238.13364	1.5
239.10713	0.5
239.14355	0.4
241.12279	2.1
243.11685	1.0
244.12411	1.0
245.09642	0.5
245.13272	1.4
246.14047	0.4
247.11218	1.1
247.14812	1.1
248.11957	0.6
249.12703	1.0
251.14311	1.2
253.12259	0.4
255.11632	0.8
256.12378	0.7
257.13306	1.8
258.13974	1.3
259.11270	0.8
259.14856	1.7
261.12653	0.9
261.16376	1.3
262.13599	0.4
263.14328	0.6
267.11694	0.4
268.12476	0.5
269.13248	1.0
271.14847	1.2
272.11923	0.7
272.15579	1.0
273.12808	0.9
273.16437	1.4
274.13470	0.4
275.11075	0.4
275.14166	0.7
276.15024	0.4
281.13208	0.8
282.13965	1.1
283.14780	1.3
284.15533	0.9
285.12863	0.7
285.16342	1.2
286.13654	0.4
286.17120	0.4
287.14264	0.8
287.17722	0.5
288.15213	0.4
289.15924	1.4
291.14093	0.5
293.13245	0.5
295.14780	0.9
296.15414	0.7
297.13141	0.6
297.16473	1.7
298.13751	0.6
298.16959	0.8
299.14517	0.8
299.17874	1.0
300.15076	0.6
301.15839	1.0
306.14087	0.4
309.16302	0.9
311.14371	0.4
311.17923	0.6
312.15060	0.4
312.18604	0.7
313.15900	0.8
313.19458	1.1
315.17386	0.9
317.18921	0.6
319.20474	1.7
321.16333	0.8
322.13638	0.4
323.14285	0.6
323.18008	1.0
325.15738	1.4
325.19406	0.8
327.17386	0.4
331.20746	0.6
335.14316	0.5
335.18011	0.9
336.18802	0.8
339.17352	0.9
340.18207	0.8
341.18906	0.6
341.22702	0.5
345.16168	0.5
348.15176	0.5
349.15988	0.7
350.20230	0.5
351.17169	0.6
353.18924	0.8
355.16705	0.4
360.18658	0.6
363.17484	1.3
364.18216	0.6
367.16815	0.6
369.22165	1.7
371.15973	0.4
371.20157	0.6
375.21124	0.5
378.19583	1.3
379.20581	0.6
381.18533	0.7
383.23798	1.3
385.25266	1.0
387.23193	1.5
393.22205	2.0
396.20798	0.9
397.21671	1.1
401.24738	0.6
411.23193	7.9
412.23642	0.9
414.21854	0.8
415.22742	2.9
421.21548	1.6
427.19244	0.6
429.24240	100.0
430.24588	11.1
439.22614	5.1
439.28088	0.5
440.23132	0.8
457.23712	44.7
458.23947	5.2
475.24789	16.6
476.25027	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01863	1.5
55.05517	4.8
57.70425	0.4
62.98252	0.4
65.03941	0.7
66.50471	0.4
67.05505	5.9
69.03423	4.0
69.06682	5.1
69.07044	0.8
70.10043	0.5
70.25739	0.4
71.05013	0.6
79.05499	3.9
81.07071	2.6
83.04987	13.2
91.05491	7.8
93.07041	8.1
95.04968	2.4
95.08599	10.0
95.09163	0.9
97.06522	1.0
98.15076	0.5
103.05486	0.8
105.07029	7.8
107.08583	5.0
109.06540	1.7
109.10163	1.1
111.04449	7.3
111.08083	4.7
113.05991	0.9
115.05455	1.9
115.54882	0.4
116.06245	0.6
117.07021	3.1
119.04919	0.6
119.08583	8.8
121.06487	2.9
121.10159	2.9
123.08061	1.9
128.06241	4.7
129.07001	5.4
130.07799	0.9
131.04962	0.7
131.08597	4.3
133.06490	1.0
133.10115	5.6
134.01100	0.5
135.08052	2.1
135.11725	0.8
137.05966	1.0
139.07558	1.9
141.07001	6.1
142.07779	4.4
143.08569	7.9
144.09271	0.9
145.06516	2.6
145.10126	6.3
147.08070	2.3
147.11685	1.9
149.09642	1.0
151.05443	0.5
152.06194	2.4
153.06978	3.0
154.07791	3.0
155.08566	5.8
156.09363	2.0
157.06500	5.3
157.10144	5.7
158.07314	1.2
158.10788	0.6
159.08028	3.9
159.11685	4.1
160.08746	0.8
161.09627	3.1
161.13217	0.7
163.11188	1.0
165.06998	4.8
166.07750	2.6
167.08577	7.4
168.09357	1.9
169.06458	2.4
169.10144	7.2
170.07275	1.4
170.10828	0.7
171.08040	5.8
171.11700	3.2
172.08768	1.1
173.05986	0.7
173.09634	5.1
173.13280	1.3
175.11217	1.6
178.07800	1.8
179.08525	5.1
180.09361	2.1
181.06503	2.7
181.10101	5.6
182.07278	1.8
182.10846	0.7
183.08084	5.3
183.11699	3.7
184.05203	2.5
184.08815	1.3
185.09612	6.3
185.13368	0.6
186.10039	0.6
187.07625	0.6
187.11153	4.5
189.07039	0.7
189.09015	0.6
190.07785	0.9
191.08609	2.2
192.09326	4.4
193.10127	5.7
194.07304	0.6
194.10855	1.7
195.08076	6.8
195.11729	2.2
196.08850	2.4
196.12454	0.7
197.05992	1.5
197.09618	17.3
197.13281	1.9
198.06792	1.4
198.10030	0.9
199.07513	5.9
199.11171	4.8
201.12781	2.2
202.07771	1.3
203.08609	2.4
203.10379	0.5
204.09338	1.9
205.10124	2.9
205.11978	0.8
206.10863	2.7
207.08086	1.7
207.11649	5.9
208.08931	1.7
208.12440	0.9
209.09619	5.9
209.13248	1.7
210.10251	1.3
211.07573	3.6
211.11154	12.8
211.14655	1.1
212.11705	1.0
213.09100	19.4
213.12718	1.6
214.09576	1.2
215.08580	1.4
215.10501	0.6
216.09286	2.5
217.10210	3.1
218.10915	1.2
219.08116	1.8
219.11720	3.8
219.13576	0.8
220.08813	2.0
220.12450	1.1
221.09700	3.1
221.13162	3.4
222.10420	1.7
223.07576	1.3
223.11163	7.6
223.14764	0.8
224.08293	0.7
224.11858	1.0
225.09138	3.3
225.12711	2.8
226.13435	0.6
227.08595	0.7
227.10689	0.8
227.14308	0.7
228.09312	1.1
229.10124	4.7
230.10886	2.5
231.07986	1.0
231.11664	4.8
232.08817	1.8
232.12437	1.9
233.05966	0.5
233.09615	3.3
233.13239	3.1
234.10338	1.4
234.14075	0.7
235.07616	1.0
235.11160	7.4
235.14763	0.9
236.08363	0.9
236.11763	0.9
237.09119	1.5
237.12833	3.5
238.09813	0.6
239.08549	0.8
239.10692	10.0
239.14172	3.4
240.09244	1.1
241.10167	3.2
241.12241	0.7
242.10847	3.9
243.11667	4.7
243.13664	0.6
244.12436	2.4
245.09535	3.3
245.13304	3.8
246.10350	2.0
246.14047	1.5
247.11160	4.6
247.14873	2.1
248.08333	0.9
248.12100	0.9
248.15428	0.5
249.09062	1.5
249.12784	3.9
249.15303	0.5
250.09712	0.5
251.10643	4.2
253.10115	1.9
253.12254	1.6
254.10889	1.6
255.11662	4.2
256.08746	0.6
256.10144	0.5
256.12494	4.2
257.09540	1.8
257.13293	6.2
257.15610	0.9
258.10492	1.6
258.14056	2.6
259.11249	4.1
259.14789	3.6
260.08347	0.6
260.11945	3.1
260.15567	1.1
261.09326	1.1
261.12701	4.0
261.16391	1.8
262.09912	0.7
262.13525	0.8
262.16708	0.5
263.10754	5.4
263.14243	2.6
265.12283	5.2
265.14798	0.6
265.16080	0.6
266.10550	0.7
267.11584	1.9
267.14066	1.0
268.12466	1.9
269.09689	1.7
269.13287	3.7
270.10385	1.5
270.14011	2.3
271.11230	2.6
271.14856	4.8
272.11993	1.4
272.15536	2.5
273.09625	0.8
273.12766	5.8
273.16364	3.0
274.09909	0.7
274.13440	2.0
274.16583	1.0
275.10690	2.1
275.14322	6.1
275.17535	0.8
276.14951	1.5
277.12305	2.3
277.15933	1.9
279.11536	0.8
280.12579	0.8
281.13165	1.6
282.13995	2.6
283.11151	2.3
283.14828	4.1
284.11966	1.7
284.15536	2.2
285.09604	0.8
285.12717	5.5
285.16360	2.9
286.10150	0.7
286.13486	2.5
286.16824	0.9
287.11060	1.0
287.14337	4.3
287.17905	2.1
288.11584	0.7
288.15060	1.6
289.12241	2.8
289.15866	3.4
290.13208	0.6
290.16208	1.1
291.13751	1.4
291.17044	0.6
293.13058	1.4
294.13959	1.2
295.11487	0.9
295.14752	1.5
296.15442	0.6
297.12787	2.5
297.16403	4.8
298.13782	0.9
298.16992	2.1
299.10892	0.9
299.14313	4.8
299.17917	2.9
300.15097	3.2
300.18033	0.6
301.12256	2.5
301.15894	6.4
301.19379	1.3
302.13196	1.2
302.16513	1.2
303.13788	4.1
303.17514	2.0
305.15378	2.1
305.18890	0.7
307.14893	1.4
308.12106	0.7
309.12662	1.2
309.16443	2.2
310.13513	1.5
311.14362	1.8
311.17892	1.0
312.15228	0.9
312.18652	1.8
313.12262	1.4
313.15829	2.6
313.19534	1.4
314.13068	0.8
314.16626	1.2
314.20105	0.7
315.13760	3.0
315.17484	4.4
316.14627	1.7
316.18030	1.2
317.15582	7.0
317.19025	1.5
318.16119	1.9
319.16919	2.3
321.16193	0.7
322.17221	0.7
323.14154	1.3
323.17728	1.2
324.15073	0.9
325.12350	0.8
325.15884	4.5
326.16501	0.7
327.13879	1.1
327.17468	2.5
328.14655	1.0
329.15338	2.4
329.19067	2.9
330.16147	1.2
330.19724	1.2
331.16855	2.1
332.17514	1.1
335.13937	0.7
336.15118	0.7
337.15881	1.0
337.19556	1.0
339.17288	1.2
340.18222	1.3
341.15302	1.3
341.19009	1.7
343.13083	0.9
343.16959	9.8
344.17374	1.9
345.18707	3.2
347.20154	3.8
348.15149	0.6
349.15955	1.2
350.16476	0.8
351.17380	1.3
351.21332	0.7
353.19122	1.2
355.16870	1.1
357.09711	1.4
357.18484	2.2
358.19220	3.7
359.19904	0.9
361.18472	0.9
363.17395	1.5
364.18222	0.7
369.18362	1.2
369.22327	1.2
378.19720	0.8
379.16458	0.9
379.20612	2.0
381.18506	1.1
382.19113	1.0
383.19702	1.2
383.24030	1.2
387.19684	0.7
393.22208	2.8
397.17084	1.0
397.18552	0.7
397.21860	5.1
399.19669	0.6
403.20416	1.0
411.23300	9.4
412.23590	1.4
413.24686	1.9
415.23004	7.3
416.23004	0.7
421.21609	6.4
429.24329	8.7
430.24619	0.8
439.22681	23.8
440.22961	2.7
457.23730	100.0
458.24048	11.9
475.24615	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
55.01868	1.6
55.05515	3.6
63.92340	0.5
65.03948	1.0
67.05502	5.7
69.03429	2.1
69.07056	0.9
71.30711	0.6
71.31065	0.8
79.05504	3.9
81.03426	0.8
81.07058	4.3
83.04990	8.9
85.06561	0.5
91.05478	7.8
93.07050	7.5
95.04974	4.6
95.08602	6.3
97.02915	2.1
97.06548	0.8
99.04488	0.9
105.07024	10.1
105.84924	0.5
107.04977	0.6
107.08602	3.4
109.02918	0.7
109.06522	2.6
109.10159	1.2
111.04427	4.3
111.08095	2.0
113.05972	0.7
115.03978	0.8
115.05465	0.8
117.07053	2.7
119.04889	0.7
119.08589	6.1
121.06507	4.4
121.10189	1.6
123.08094	2.2
128.06215	2.9
129.07008	4.6
130.07809	1.2
131.08554	4.3
133.06461	1.2
133.10165	3.5
135.08072	2.6
137.05963	0.9
137.09625	0.8
137.65123	0.6
139.07553	1.1
141.06975	2.8
142.07776	5.6
143.08604	4.8
143.55190	0.6
144.09334	0.8
145.06531	1.4
145.10138	3.3
146.07283	0.6
147.08086	2.6
147.11725	2.1
151.07564	2.1
152.06226	1.1
153.06967	3.0
154.07823	3.1
155.08566	6.6
156.09319	1.4
157.06480	1.4
157.10126	6.3
158.07336	0.7
159.08102	3.3
159.11707	2.3
160.08835	1.4
161.09622	2.8
163.03917	0.9
165.07019	6.4
165.09143	1.3
166.07820	1.7
167.08545	4.4
168.09261	1.2
169.06483	1.1
169.10135	9.4
170.07339	1.2
170.10721	0.6
171.08090	1.6
171.11693	2.2
173.09647	1.9
175.07594	0.9
175.11192	5.1
178.07732	3.0
179.08548	7.4
180.09303	7.1
181.06558	1.7
181.10086	3.9
182.07333	1.7
182.10962	0.8
183.08032	1.4
183.11716	1.9
184.08855	0.8
185.09612	3.9
187.11237	1.1
189.09129	1.3
191.08604	2.3
191.10439	0.7
192.09331	4.8
193.10143	7.9
194.10921	4.9
195.08052	3.2
195.11697	14.1
196.12193	0.8
197.09598	7.9
197.11243	0.7
197.13239	1.4
199.11220	2.6
203.08585	2.2
203.10704	2.5
204.09328	2.5
205.10135	4.0
205.11893	0.7
206.10907	3.3
207.08136	1.1
207.11674	8.0
207.13419	0.9
208.08925	1.0
208.12492	1.6
209.09653	2.6
209.13281	3.8
210.10390	0.9
211.11258	1.6
213.09167	1.0
213.12764	1.1
215.08667	1.2
215.10693	0.8
216.09424	2.3
217.10143	2.3
218.10953	2.0
219.08076	1.4
219.11708	7.4
220.08890	0.9
220.12459	1.8
221.09660	2.1
221.11627	1.3
221.13431	3.5
222.10452	2.6
222.13945	0.6
223.11215	2.0
223.14684	0.7
225.09105	0.7
225.12708	1.7
227.10732	0.8
228.09358	0.9
229.10182	2.4
230.10902	2.9
231.11670	3.4
232.08813	0.7
232.12369	1.6
233.09630	1.8
233.13295	3.1
234.10385	1.2
235.11171	3.6
235.14864	0.8
236.11995	3.5
237.12735	25.0
238.13203	1.9
239.10709	1.1
241.10167	1.8
241.12325	1.0
242.10933	2.4
243.11736	4.0
244.12491	2.4
245.09645	2.0
245.13298	4.3
246.14030	1.5
247.11221	2.4
247.14922	1.3
249.12746	7.2
250.13193	0.8
251.14412	0.8
253.10214	1.4
254.10904	1.0
255.11751	1.9
256.12500	2.9
257.09729	1.3
257.13269	4.1
258.10385	1.1
258.14026	2.7
259.11261	1.9
259.14795	2.4
260.12003	1.4
261.12750	2.5
261.16397	0.7
263.14261	1.4
265.12289	1.2
267.11710	2.5
268.12436	2.4
269.13278	1.9
270.14020	1.8
271.11307	1.5
271.14868	3.7
272.12140	0.8
272.15445	1.2
273.12772	2.5
273.16440	2.3
274.13531	1.5
274.16916	1.0
275.14362	2.5
277.12311	1.1
280.12466	0.7
281.13245	1.3
282.14111	1.8
283.11279	1.5
283.14859	3.7
284.12033	1.2
284.15585	1.8
285.12891	1.8
285.16437	2.4
286.13577	1.2
286.17072	1.1
287.10812	0.9
287.14297	2.2
287.17969	1.8
288.15173	1.1
289.15942	1.9
294.14319	0.7
296.15533	0.7
297.13046	1.0
297.16443	3.8
298.13489	0.8
298.17169	1.5
299.14410	3.4
299.18030	1.6
300.15076	2.0
301.15823	2.9
302.16516	0.9
303.14108	1.1
303.17410	1.3
309.16333	1.1
310.13596	0.7
311.14438	1.1
311.17972	1.0
312.18726	1.2
313.15961	1.8
313.19388	1.3
314.16788	1.4
315.14127	1.2
315.17502	3.2
316.18198	1.1
317.15417	2.3
317.18896	0.9
318.16022	0.9
325.15839	3.9
327.17450	2.1
329.15573	1.1
329.19086	2.4
330.19717	1.1
339.17596	1.2
340.18344	2.3
341.19028	0.8
343.16864	3.2
345.18665	1.9
347.20160	1.0
357.18484	1.8
358.19257	3.9
363.17386	0.7
383.23975	1.2
387.23489	0.9
393.22202	2.4
395.20065	0.9
397.21951	1.3
401.24835	0.9
411.23297	5.7
415.22760	4.8
421.21732	2.6
429.24240	8.9
439.22711	13.7
440.23148	2.5
457.23813	100.0
458.24118	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	0.6
69.07072	0.4
71.01358	0.3
71.29945	0.3
79.05496	0.3
81.03405	0.6
85.02909	0.4
87.08106	0.6
91.05491	0.8
97.02896	0.4
103.05470	0.4
105.07030	0.5
115.05466	0.4
117.07006	0.8
119.04927	0.6
121.06467	0.5
121.57293	0.2
122.03638	0.4
128.06218	0.3
129.07048	0.7
131.04927	1.2
131.08549	0.3
133.06490	0.4
137.05977	5.1
141.06981	0.6
143.04924	0.4
143.08553	0.4
144.05743	0.3
145.06500	1.2
147.10196	0.6
151.03958	0.4
151.07544	4.2
152.33376	0.2
155.08604	0.3
157.06529	0.6
160.05202	0.4
161.06004	0.8
163.07526	1.1
167.08565	0.3
169.06543	0.4
171.08121	0.3
174.06799	0.4
175.07556	1.8
177.05429	0.3
177.09081	1.3
181.06435	0.4
187.07590	1.4
189.09114	0.9
191.07053	0.4
193.08575	0.5
201.05392	0.5
201.09111	0.7
203.05217	0.5
203.10693	0.6
205.08578	0.4
217.08609	1.0
219.10190	0.6
225.09157	0.5
227.10689	0.3
229.08563	0.6
231.10144	0.8
239.10606	0.4
257.11557	0.3
275.12848	0.4
277.17780	0.6
289.94559	0.3
291.12338	0.6
295.18765	2.5
323.13074	0.5
372.14752	0.3
457.24088	100.0
458.24438	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2406
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
69.03435	0.6
69.07072	0.4
71.01358	0.3
71.29945	0.3
79.05496	0.3
81.03405	0.6
85.02909	0.4
87.08106	0.6
91.05491	0.8
97.02896	0.4
103.05470	0.4
105.07030	0.5
115.05466	0.4
117.07006	0.8
119.04927	0.6
121.06467	0.5
121.57293	0.2
122.03638	0.4
128.06218	0.3
129.07048	0.7
131.04927	1.2
131.08549	0.3
133.06490	0.4
137.05977	5.1
141.06981	0.6
143.04924	0.4
143.08553	0.4
144.05743	0.3
145.06500	1.2
147.10196	0.6
151.03958	0.4
151.07544	4.2
152.33376	0.2
155.08604	0.3
157.06529	0.6
160.05202	0.4
161.06004	0.8
163.07526	1.1
167.08565	0.3
169.06543	0.4
171.08121	0.3
174.06799	0.4
175.07556	1.8
177.05429	0.3
177.09081	1.3
181.06435	0.4
187.07590	1.4
189.09114	0.9
191.07053	0.4
193.08575	0.5
201.05392	0.5
201.09111	0.7
203.05217	0.5
203.10693	0.6
205.08578	0.4
217.08609	1.0
219.10190	0.6
225.09157	0.5
227.10689	0.3
229.08563	0.6
231.10144	0.8
239.10606	0.4
257.11557	0.3
275.12848	0.4
277.17780	0.6
289.94559	0.3
291.12338	0.6
295.18765	2.5
323.13074	0.5
372.14752	0.3
457.24088	100.0
458.24438	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	0.6
69.07072	0.4
71.01358	0.3
71.29945	0.3
79.05496	0.3
81.03405	0.6
85.02909	0.4
87.08106	0.6
91.05491	0.8
97.02896	0.4
103.05470	0.4
105.07030	0.5
115.05466	0.4
117.07006	0.8
119.04927	0.6
121.06467	0.5
121.57293	0.2
122.03638	0.4
128.06218	0.3
129.07048	0.7
131.04927	1.2
131.08549	0.3
133.06490	0.4
137.05977	5.1
141.06981	0.6
143.04924	0.4
143.08553	0.4
144.05743	0.3
145.06500	1.2
147.10196	0.6
151.03958	0.4
151.07544	4.2
152.33376	0.2
155.08604	0.3
157.06529	0.6
160.05202	0.4
161.06004	0.8
163.07526	1.1
167.08565	0.3
169.06543	0.4
171.08121	0.3
174.06799	0.4
175.07556	1.8
177.05429	0.3
177.09081	1.3
181.06435	0.4
187.07590	1.4
189.09114	0.9
191.07053	0.4
193.08575	0.5
201.05392	0.5
201.09111	0.7
203.05217	0.5
203.10693	0.6
205.08578	0.4
217.08609	1.0
219.10190	0.6
225.09157	0.5
227.10689	0.3
229.08563	0.6
231.10144	0.8
239.10606	0.4
257.11557	0.3
275.12848	0.4
277.17780	0.6
289.94559	0.3
291.12338	0.6
295.18765	2.5
323.13074	0.5
372.14752	0.3
457.24088	100.0
458.24438	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.24
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68349	0.4
52.66805	0.4
53.03936	0.6
55.01873	0.7
55.05517	2.7
57.75159	0.4
67.05500	3.1
69.03430	1.5
69.07073	1.1
70.64792	0.4
71.04974	0.6
71.29097	0.7
78.89027	0.4
79.05490	2.9
81.03428	0.7
81.07046	4.4
83.04976	3.9
83.08612	0.5
85.06551	0.5
91.05487	3.2
93.07041	4.2
95.04963	1.7
95.08604	5.0
97.02898	0.5
97.06509	1.0
97.10187	0.5
105.07024	3.0
107.04939	0.5
107.08569	2.3
109.06518	1.6
109.10162	1.7
111.04439	1.6
111.08080	0.6
115.05472	0.6
117.07013	1.3
119.08579	3.0
121.06516	1.4
121.10156	1.9
123.08087	1.3
123.11720	0.9
124.16738	0.4
125.09692	0.4
128.06226	0.9
129.06999	1.1
131.08571	1.7
133.06493	0.7
133.10139	1.7
135.08067	1.5
135.11649	0.8
137.06003	0.6
137.09610	1.0
139.07532	0.8
141.06998	0.7
142.07809	0.9
143.08545	1.4
144.97873	0.4
145.06491	0.4
145.10143	1.7
147.08018	1.0
147.11754	1.0
149.09619	1.3
151.07545	4.2
153.07062	0.5
154.07796	0.6
155.08562	1.6
156.09421	0.5
157.06471	0.9
157.10161	1.6
159.08098	1.4
159.11613	0.5
161.09586	1.0
161.13336	0.5
163.11171	0.7
165.05443	0.4
165.06995	0.8
165.09102	6.8
166.07724	0.6
167.07140	0.5
167.08565	0.7
169.10136	1.7
171.08025	0.8
171.11673	1.1
173.09648	1.6
173.13359	0.7
175.07507	0.6
175.11212	1.1
177.06752	0.5
177.09117	0.9
179.08574	1.3
180.09288	0.5
181.04874	0.5
181.06509	0.6
181.10077	1.2
183.08099	0.6
183.11620	0.5
185.09587	0.7
185.13251	0.7
187.11235	1.0
189.09192	0.9
189.12689	0.6
191.08582	0.5
191.10719	1.1
192.09293	0.8
193.10173	1.3
194.10889	0.5
195.08112	0.9
195.11714	1.3
197.09676	1.5
199.11255	1.7
201.09081	0.4
201.12738	0.5
203.08588	0.5
203.10590	0.9
205.10233	0.6
205.12283	1.1
206.10851	0.8
207.07959	0.4
207.11688	1.1
208.08842	0.6
209.09656	0.5
209.13312	0.6
211.11221	1.1
215.08727	0.5
215.10745	0.7
217.10181	1.1
218.10820	0.7
219.08235	0.6
219.11769	1.0
221.09689	0.5
223.11243	0.9
225.89516	0.4
229.10165	1.0
230.10878	1.3
231.08096	0.5
231.11717	0.9
232.12199	0.6
233.09572	0.7
233.13318	0.6
235.11327	0.7
237.12767	1.0
241.10150	0.6
242.10997	1.1
243.11713	1.6
243.13991	0.5
245.09489	0.9
245.13177	1.2
246.10378	0.5
247.11162	0.9
247.14880	0.9
249.12729	0.8
251.14313	0.6
256.12372	0.6
257.13147	1.1
258.10403	0.6
258.14081	0.9
259.11118	1.6
259.14893	1.0
260.12079	0.5
260.15369	0.5
261.12875	0.9
261.16327	0.6
263.14282	0.8
267.11685	0.8
268.12415	0.6
269.09717	0.5
269.13379	0.7
270.13937	0.7
271.11478	0.7
271.14868	1.3
272.12091	0.8
273.12741	1.5
273.16150	0.7
275.14325	0.5
283.11252	0.5
283.14487	0.8
285.12616	1.1
285.15897	0.8
286.13486	0.5
287.14542	0.9
287.17746	0.7
288.15012	0.9
289.15726	0.5
295.18845	4.4
296.12143	0.6
296.15662	0.6
297.12799	0.8
297.16333	0.9
298.13531	0.9
299.14328	1.1
300.15051	0.6
301.12247	0.6
301.15973	1.0
303.13922	0.6
311.14191	0.7
313.15869	0.9
315.13773	0.7
315.17325	0.7
325.15976	1.1
327.17462	0.5
329.19040	0.9
330.19693	0.5
340.18353	1.1
343.16794	0.9
358.19366	0.8
393.22412	0.7
411.23218	1.4
415.22635	0.8
421.21683	1.3
429.24237	1.9
439.22812	3.0
440.23090	0.6
457.24017	100.0
458.24326	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2405
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
66.47594	0.2
67.05519	0.3
69.03423	0.2
69.06706	0.7
69.07124	1.1
71.04980	0.3
81.07064	0.4
85.02899	0.3
93.07024	0.4
95.08585	0.4
105.07032	0.3
107.08625	0.3
109.06503	0.2
119.08579	0.3
121.10146	0.3
137.09569	0.3
145.10095	0.2
147.15936	0.2
151.07559	0.3
203.05252	2.0
269.72842	0.2
277.17770	5.1
278.18155	0.2
279.19214	0.3
295.18805	3.2
330.68835	0.2
361.02463	0.2
401.48770	0.2
439.23093	0.3
457.24057	100.0
457.76920	0.2
458.24393	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3677
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
53.03944	5.8
55.05512	39.6
57.07078	18.8
58.30447	3.1
65.03954	3.6
65.40022	3.4
67.05504	47.7
69.07072	48.0
70.06583	8.4
70.49036	9.6
71.08608	5.3
79.05483	27.9
81.07057	86.6
83.04971	8.0
83.08605	20.1
84.87251	3.9
85.06557	4.2
88.07624	8.1
90.71110	3.4
91.05485	26.1
93.07043	59.2
95.04941	5.7
95.08613	100.0
97.06535	5.2
97.10172	13.6
99.04456	4.8
99.08110	5.8
102.09191	5.1
105.07030	57.0
107.08593	88.4
109.09443	6.6
109.10156	84.8
109.10911	4.9
110.10495	3.9
111.08069	6.1
117.07044	7.0
119.08571	64.9
121.10150	69.4
123.08072	8.0
123.11721	37.3
125.09624	5.7
131.08553	18.1
133.10114	37.9
135.08072	5.2
135.11674	24.7
137.13249	5.5
143.08525	5.4
145.10106	28.1
147.11705	35.8
149.09628	6.5
149.13269	28.9
153.09142	4.3
157.10089	7.0
159.11726	40.9
161.09706	4.2
161.13268	45.6
163.11290	7.3
163.14830	17.9
167.10732	6.6
169.10048	4.2
171.11638	5.9
173.13255	20.6
175.14792	20.5
177.16418	4.3
177.91956	3.7
181.12195	9.6
185.13252	9.4
186.87312	3.4
187.14832	14.6
189.16393	15.1
191.17937	5.8
195.13832	7.4
199.14809	7.0
200.20068	21.8
201.16447	21.3
201.20497	6.2
203.17972	21.8
207.17392	3.3
213.16441	8.9
215.17992	10.7
217.19403	3.9
219.17468	5.4
221.15395	4.3
221.18990	9.7
223.16873	4.8
233.19055	9.4
235.16920	6.7
237.18536	7.8
243.21194	3.8
249.18474	6.1
283.26248	11.2
284.26733	18.4
337.27396	4.9
397.30823	4.1
399.32626	16.6
421.34683	4.7
439.35806	46.0
440.36197	7.6
457.36743	21.9
457.44363	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3677
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
52.61613	1.2
53.03948	3.6
55.01870	1.7
55.05509	24.8
57.07078	10.7
59.05017	1.8
63.99260	1.6
65.03941	2.6
67.05506	45.9
69.07071	43.8
69.20135	8.3
69.20560	2.8
71.04993	4.8
71.08647	3.4
73.06585	1.8
79.05495	32.2
80.32881	1.3
81.07059	84.8
82.07402	2.4
83.04971	1.9
83.08621	15.9
85.06544	5.2
85.10233	1.6
91.05473	24.0
93.07046	72.5
94.07413	2.1
95.04977	4.0
95.08610	100.0
96.08952	2.6
97.06539	5.8
97.10173	9.2
98.23315	2.3
99.08106	3.9
103.05524	1.7
105.07033	39.8
107.08596	90.0
109.06518	21.6
109.10159	78.2
110.06874	1.7
110.10548	2.2
111.08086	6.3
111.11726	5.9
115.07597	2.3
117.07040	5.0
119.08585	48.1
121.06514	4.3
121.10142	60.9
123.08077	7.5
123.11705	28.7
124.12015	1.8
125.09631	4.6
127.11157	1.7
129.07002	2.7
131.08585	13.8
133.10127	46.8
134.10497	2.7
135.08054	4.6
135.11691	43.3
137.09610	4.3
137.13248	10.7
141.09082	1.7
143.08601	6.9
144.09338	2.6
145.10115	20.4
147.08105	3.4
147.11696	34.6
149.09596	9.1
149.13264	58.8
150.13602	1.5
151.11176	2.3
151.14867	2.7
155.08528	1.6
156.09294	2.4
157.10081	8.6
158.10930	2.0
159.11696	31.8
161.09647	6.0
161.13274	22.3
163.11220	10.0
163.14812	18.2
165.09175	4.6
165.12730	7.3
169.10121	2.2
170.10889	1.6
171.11688	8.1
173.13252	18.4
174.13748	1.6
175.11250	4.7
175.14833	13.5
177.12759	34.7
177.16370	9.1
179.10678	2.4
179.14363	2.8
182.05354	1.6
183.11679	2.9
185.13319	5.6
187.11244	2.0
187.14850	9.5
189.12744	6.9
189.16383	14.6
191.14278	7.5
191.17944	19.7
191.19481	1.7
195.11774	2.0
195.13794	3.1
197.13321	2.3
199.14876	2.6
201.12781	4.1
201.16393	5.8
203.14314	4.6
203.17963	20.1
205.12254	2.7
205.16002	2.1
205.19542	23.4
207.13858	6.0
213.16316	2.0
215.14340	3.9
215.17969	2.6
217.15880	4.7
217.19513	7.1
219.13777	8.9
219.17400	1.5
219.21036	13.3
221.15436	5.9
223.16896	1.8
227.17911	3.1
229.16092	1.9
230.19765	1.4
233.15408	6.8
235.16914	3.6
239.16345	2.3
243.21053	2.1
245.22681	1.4
247.16965	5.8
247.20752	1.7
249.18483	2.7
251.16438	3.8
297.22311	3.1
315.23340	2.2
343.26294	1.6
365.32028	1.8
383.33167	6.6
407.33090	5.5
425.34119	18.0
439.35837	7.7
457.27136	13.7
457.36713	11.8
457.44199	2.8
458.37213	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14132	1.5
57.03422	2.2
63.31484	1.8
69.03405	3.5
70.28559	1.7
71.29820	2.2
79.05478	4.1
81.07021	2.8
91.05473	2.9
93.07023	2.3
95.04918	6.0
97.06511	2.2
105.06982	3.2
107.04911	6.6
109.06503	2.9
121.06487	1.9
123.04413	1.8
129.06943	4.9
131.08536	4.3
133.06448	5.2
143.08531	3.6
145.06432	6.2
145.10078	4.4
147.07983	6.0
153.05432	2.0
155.08508	2.9
157.10075	4.1
159.08025	10.2
161.09537	3.8
169.10078	5.5
171.07983	7.8
171.11617	3.1
172.08685	2.1
173.09529	7.3
175.07449	4.4
179.08450	2.5
181.10020	7.4
183.08089	2.7
183.11620	3.2
185.09604	4.8
187.11131	4.0
192.09264	3.0
193.10089	2.8
195.08031	2.3
195.11674	4.2
197.09619	3.1
197.13206	2.9
199.11198	4.3
199.14883	2.0
205.08499	3.6
207.11630	4.6
209.09601	2.1
209.13097	2.9
211.11081	3.6
213.09087	3.1
213.12651	6.7
215.10623	2.7
217.08492	4.2
222.10443	2.1
223.11165	7.5
225.09123	3.2
225.12578	7.1
227.10521	5.4
231.13763	2.3
235.11058	5.3
237.09158	2.4
237.12608	5.9
239.10616	2.0
241.12213	9.1
241.15735	2.1
249.12639	3.1
251.10506	5.6
253.12122	4.9
255.13657	5.9
265.11948	5.8
265.14578	2.0
269.11703	13.3
271.13141	4.9
273.14661	2.7
277.14328	5.6
281.11661	4.4
283.13126	7.3
285.14587	2.0
287.12759	20.2
295.13089	8.0
297.11002	6.8
297.14273	2.9
299.12894	10.8
301.14301	42.8
311.12494	6.3
313.14120	8.0
315.12292	42.3
316.12595	3.6
317.13806	3.4
323.12582	5.6
327.12186	2.8
329.13821	25.0
330.14038	3.0
333.13272	22.6
334.13489	2.0
341.13608	8.0
345.13248	12.7
347.10724	2.2
347.14877	36.7
351.13846	1.8
357.12921	3.3
359.14874	17.0
363.14084	5.3
369.13281	2.2
375.14368	10.6
377.15839	3.5
387.14478	16.6
393.11044	2.0
393.15451	30.5
405.15384	45.2
406.15570	3.0
423.16458	41.2
424.16870	3.9
441.17624	18.6
442.17542	2.0
458.19794	100.0
459.19550	13.7
459.25134	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
70.06575	1.4
72.08150	0.9
78.75728	0.5
79.05493	1.0
85.02937	1.0
85.06536	0.7
91.04951	0.5
91.05487	1.7
93.07040	2.1
97.02924	0.9
101.00881	0.6
103.05463	9.1
107.04959	2.7
113.06011	0.8
118.01217	0.6
119.01939	1.5
119.04946	1.7
120.08109	100.0
121.06515	4.1
121.08430	3.4
122.06017	0.7
127.03977	0.6
130.62892	0.6
131.01900	1.3
131.04947	2.4
131.07060	1.3
136.06161	0.9
136.07616	1.2
137.05984	4.4
138.05513	0.6
138.09167	0.9
143.01880	0.5
145.03500	0.7
145.04843	0.5
147.04422	4.8
149.05971	1.9
151.37270	0.6
156.02649	0.8
157.03410	0.7
161.02982	1.5
163.03914	0.9
164.07129	0.7
166.08643	45.3
167.08969	1.9
173.03001	1.3
181.03445	0.9
181.91110	0.5
195.04977	1.2
196.02214	1.0
203.04068	0.9
219.05038	2.0
219.66705	0.5
221.05032	2.4
223.04512	1.0
232.10718	0.6
233.15363	0.6
237.02815	1.0
237.06046	2.6
241.06438	0.6
244.04288	5.6
245.05219	0.6
247.04546	0.6
249.06055	0.9
252.04855	0.8
259.04550	1.5
259.07333	1.2
262.05157	0.8
264.04926	0.5
267.07166	1.5
279.07245	1.2
291.07196	1.0
297.08127	3.2
307.06589	4.0
321.08191	0.7
323.06244	0.6
333.08365	0.7
336.06918	4.9
348.06943	4.3
351.09155	3.0
363.09262	2.3
366.07849	0.9
369.10400	2.5
381.10349	4.5
399.11545	1.1
411.11322	0.8
459.14142	3.4
475.88040	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.9
57.02686	1.1
67.05489	3.4
69.03413	4.3
69.07058	3.8
69.55142	0.9
70.67487	1.3
70.67801	1.6
77.03976	1.1
79.05492	6.9
81.07050	4.9
83.04961	4.3
87.08054	1.7
91.05489	5.2
93.07029	3.5
95.04947	4.7
95.08613	1.5
97.02834	1.1
97.06525	3.6
103.05479	1.2
105.07047	6.3
107.04276	1.4
107.04950	9.9
107.08575	1.7
109.02859	1.1
109.06522	3.9
111.04403	1.3
115.05453	1.1
117.07005	4.7
119.04893	1.2
119.08564	3.6
121.06480	3.5
123.04450	1.7
125.05996	2.6
128.06186	4.5
129.07016	6.2
131.04915	3.2
131.08569	7.5
133.06514	3.1
133.10100	4.1
135.04344	1.2
135.07999	2.3
137.05945	1.9
141.05466	1.1
141.06976	2.8
142.07751	1.9
143.08580	16.0
145.06448	3.6
145.10143	7.8
147.08012	3.6
147.10123	3.2
147.11299	1.1
149.05962	1.9
151.07480	1.4
153.05458	3.3
153.06911	2.4
153.08351	1.0
155.08562	14.6
156.09250	1.1
157.06438	2.2
157.10152	8.9
158.07233	2.0
159.08038	8.2
159.11697	2.1
160.08736	1.5
161.09621	5.7
165.07030	2.4
166.07790	1.7
167.07108	1.2
167.08546	5.8
168.09273	2.0
169.06468	2.3
169.10118	10.4
170.07033	0.9
171.08025	9.3
171.11650	3.4
172.08708	1.6
173.05913	1.8
173.09645	7.6
174.10326	2.4
175.07504	1.9
177.05414	1.6
177.09117	2.0
178.07843	1.5
179.08521	3.9
180.09344	1.4
181.06459	1.8
181.10085	8.9
182.10808	1.9
183.08029	3.7
183.11697	5.1
183.48991	1.1
185.09633	9.5
185.13206	2.3
187.07501	4.4
187.11197	2.3
189.09024	3.6
191.08575	1.4
191.10561	1.2
192.09299	1.6
193.08513	1.6
193.10088	3.9
194.10825	2.4
195.08018	5.5
195.11690	5.1
196.08780	1.8
197.09686	5.9
197.13289	5.4
199.07547	5.8
199.11130	6.2
201.09109	2.8
201.12752	1.2
203.08617	1.4
204.09309	1.5
206.10968	1.8
207.11752	5.8
208.08435	1.1
209.09709	5.8
209.13196	7.9
210.10258	1.6
211.07588	1.5
211.11293	5.1
211.14850	3.6
213.09119	4.9
213.12607	2.3
215.10692	2.0
215.14301	1.6
217.08620	3.0
218.10957	1.9
219.08070	1.9
219.11617	4.2
220.08800	2.6
220.12296	1.2
221.09605	1.4
221.13284	7.3
223.07523	2.1
223.11133	3.9
223.14850	2.9
225.09111	1.9
225.12666	5.0
226.43315	1.1
227.10834	5.6
227.14256	3.6
228.11351	1.7
229.08498	1.3
229.12248	1.3
229.15797	1.2
231.10083	2.9
233.13237	4.2
234.10316	2.3
235.11243	7.4
237.09021	3.4
237.12708	9.0
238.13359	1.7
239.10635	2.1
239.14301	8.2
241.12271	1.6
243.13855	2.0
245.11722	2.4
246.10294	1.3
247.11102	1.8
249.12764	7.9
251.14250	3.9
253.12199	6.7
255.10165	3.4
255.13719	5.3
256.14209	1.0
257.11917	1.6
257.15292	3.3
259.11066	1.5
261.12741	2.0
263.10580	2.2
265.12195	3.1
266.13062	4.8
267.13760	9.6
269.11981	1.1
269.15234	2.5
271.13229	1.9
271.51114	1.1
273.11139	1.4
273.14658	1.1
277.12296	9.6
279.13736	4.1
281.11627	4.4
283.09634	2.1
283.13223	6.5
285.14838	8.3
292.12650	1.3
295.13342	11.7
297.14847	3.7
299.12659	4.3
300.13272	1.3
301.10641	4.1
301.14301	14.7
302.14630	2.1
303.15930	12.0
304.16187	1.2
305.11542	3.3
309.10873	1.2
311.12717	3.6
313.14340	12.2
315.15936	6.5
317.13779	1.8
323.12845	8.5
325.14246	3.0
327.12170	2.2
329.10098	1.2
329.13782	13.8
330.14481	3.2
331.15347	42.1
332.15619	3.3
341.13824	32.2
342.14005	2.9
343.15247	5.6
345.13333	1.2
347.11252	1.3
347.14877	21.9
348.15268	2.2
349.16458	9.6
351.12225	3.1
355.31216	1.1
359.14883	50.4
360.15054	4.7
361.16425	5.5
367.17325	1.5
369.13351	10.8
377.16049	8.5
378.16330	1.8
387.14340	23.2
388.14590	4.1
395.17075	2.5
405.15454	67.8
406.15668	5.1
423.16489	70.1
424.16791	6.8
441.17545	13.9
458.20023	100.0
459.20480	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60139	0.9
53.03949	1.3
55.01868	1.1
55.05516	2.5
57.03442	10.3
59.05001	2.6
59.43659	0.9
61.02931	2.0
66.58395	0.9
68.99801	1.0
69.03432	5.5
69.07071	3.3
69.11772	1.6
69.12176	7.4
71.04999	65.1
73.02920	3.3
74.01856	0.9
75.04482	5.1
81.03421	4.7
83.04993	12.1
85.02911	100.0
86.03230	2.1
87.04469	2.1
87.08118	5.4
91.03976	1.4
91.05506	1.9
95.04960	1.0
97.02898	8.1
98.98470	2.1
99.04456	1.7
101.06034	2.7
103.03958	1.4
107.04991	1.0
109.02924	3.0
111.04450	7.6
111.37936	0.9
114.15058	0.9
115.07608	3.8
121.02874	1.0
123.04503	1.5
127.03930	6.7
129.05489	40.8
129.09140	3.1
133.06421	1.2
133.08604	5.5
145.04961	11.6
147.04564	1.5
147.06541	22.1
149.02383	1.2
160.03796	0.9
163.06067	4.3
164.09229	1.5
165.87938	1.0
172.08675	1.0
173.09056	1.1
175.00415	0.9
191.03398	1.2
195.02962	2.0
201.77937	1.0
207.02930	2.7
219.02867	7.6
233.04504	3.8
243.08698	1.6
244.09041	2.7
255.08693	1.4
257.98346	0.9
261.03986	11.2
270.09167	1.0
273.03989	1.2
273.09457	1.2
285.03955	1.9
291.04813	1.1
303.04944	3.4
309.11832	1.5
321.06122	2.2
327.08630	2.6
339.07892	2.2
360.13913	3.5
381.09927	2.3
393.09741	3.1
397.09824	1.2
440.10385	8.7
440.23438	1.8
441.11456	1.2
458.15436	9.5
458.24509	40.2
459.13971	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03088	1.6
53.03946	3.0
55.05498	4.1
59.04993	1.8
59.55255	1.6
67.05507	9.4
69.03423	2.4
69.07082	3.4
70.50374	3.1
71.04992	3.8
71.23250	1.5
79.05502	6.1
81.03406	4.3
81.07053	7.3
85.02882	2.4
85.06551	1.7
91.05481	21.3
91.13999	1.6
93.07043	6.2
95.04967	2.4
95.08611	51.3
96.08954	1.8
99.08097	2.4
105.07039	24.9
107.04955	4.9
107.08571	2.4
113.06021	7.4
117.07034	15.5
119.08572	4.2
121.06516	12.6
122.53539	1.9
123.08066	4.9
130.07860	1.8
131.08571	13.1
135.08072	1.9
143.08582	33.0
145.10123	100.0
146.10474	3.9
147.11705	2.7
154.09206	1.8
159.08011	2.0
173.09531	2.0
173.13240	8.7
183.11716	6.5
201.12729	33.2
202.13051	2.1
233.15382	20.2
234.15742	1.9
261.14844	20.7
279.15909	7.2
440.22787	1.6
458.24121	3.8
459.25497	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90559	46.9
63.20695	39.8
65.89891	41.3
66.45676	43.0
68.02540	36.6
98.23452	82.3
113.24224	47.0
121.31884	44.1
223.55562	41.1
258.29321	52.5
376.19385	47.6
459.24976	100.0
462.72290	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.09
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54211	0.8
56.96563	2.3
70.06589	1.4
71.22477	1.6
75.41663	0.8
84.08116	1.1
84.96017	1.1
98.97598	7.0
110.97572	1.7
111.51307	0.8
116.98627	3.3
121.02869	0.9
123.04458	2.1
127.19307	0.8
128.98622	2.4
139.03879	3.7
143.00296	0.8
146.99648	1.3
151.03923	1.3
161.01251	0.9
163.03931	1.3
175.03918	1.5
177.00685	1.3
187.03862	1.0
191.03368	1.4
203.03413	0.9
210.21436	0.9
219.01817	4.0
223.02473	1.3
225.04279	1.0
231.02986	1.1
237.02808	4.2
261.02878	1.1
271.06042	1.2
273.03821	1.0
287.05579	1.3
299.05780	0.8
307.04263	1.3
369.05060	1.3
387.05917	2.3
399.10004	1.7
417.10684	2.5
423.07043	1.5
459.08966	100.0
460.09122	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86564	0.5
69.77113	2.9
97.06281	0.6
98.22588	0.9
107.00426	0.6
219.04211	0.6
459.08975	100.0
460.09344	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08105	1.3
64.07880	1.4
69.03406	2.1
70.06583	1.6
78.72881	1.4
81.07731	1.4
91.05493	2.2
91.61226	1.6
97.02904	4.3
100.00111	4.1
101.00892	9.0
103.23931	1.7
105.00351	1.6
109.02861	3.4
113.00876	5.2
115.02467	1.8
118.01137	6.2
119.01913	19.3
119.04980	3.2
121.06498	1.7
122.03703	2.9
127.02461	2.7
131.01917	14.7
133.03497	2.9
137.02937	1.7
137.05978	57.5
142.01131	6.8
143.01880	11.6
144.02676	1.8
145.03471	10.1
147.04393	11.8
149.02930	2.8
155.01846	12.5
156.02704	10.2
157.03447	2.7
160.02214	7.9
160.07570	4.0
161.02972	24.1
161.06009	1.9
162.62630	1.5
163.04530	2.5
167.01875	1.6
168.02736	3.2
172.02097	1.8
173.02979	15.1
174.03758	3.3
177.03958	3.2
177.52315	1.6
178.01122	3.2
179.18097	1.6
180.02606	3.1
181.03461	11.0
184.02191	2.2
185.02911	4.3
186.03764	4.0
193.03505	1.8
194.04297	1.8
195.05016	19.6
196.02187	13.0
197.02914	8.0
199.04465	1.9
202.03223	2.1
203.04012	15.1
205.03456	4.3
207.04962	1.6
208.02171	2.8
210.03728	9.4
217.03433	3.3
218.04247	4.5
219.01826	1.9
219.05008	30.6
220.05252	2.5
221.05061	50.3
222.03691	6.6
223.04425	13.0
226.03212	4.2
228.04781	3.5
228.98177	2.0
231.05066	6.0
232.05873	3.9
233.06619	3.4
234.03658	2.6
235.04515	3.2
236.05339	4.1
237.06078	35.0
238.06303	4.6
240.04715	4.4
241.03354	2.8
244.04291	100.0
245.04633	11.8
246.03709	4.6
247.04524	10.9
248.05225	3.6
249.06076	11.4
251.07658	2.3
252.04825	6.4
259.04556	16.3
260.05402	3.0
261.06140	11.0
262.05267	14.3
264.04834	16.8
265.05389	5.5
266.06219	1.8
267.07150	12.5
272.05258	2.9
276.04770	5.9
279.07144	22.7
288.04739	10.2
291.07117	10.3
293.08673	2.3
297.08215	29.4
300.04749	3.1
303.07202	4.4
307.06662	37.7
308.06870	3.2
309.08170	8.9
318.05981	1.7
320.07327	4.2
321.08224	17.6
322.08420	1.7
325.07788	2.1
333.08170	3.1
336.06873	43.7
337.07230	4.6
339.09268	2.6
348.06897	70.1
349.07336	6.7
351.09232	34.2
352.09402	3.7
354.08066	3.4
363.09210	33.3
364.09387	2.9
366.07922	9.2
369.10358	25.8
370.10446	3.2
381.10291	79.1
382.10562	8.2
387.11395	13.3
399.11371	57.9
400.11560	3.6
411.11594	9.8
417.12207	2.5
441.12579	6.0
459.08536	1.9
459.13464	43.7
460.13495	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99871	1.5
69.03400	1.2
69.70981	6.0
82.99872	1.5
83.04969	1.8
91.05477	5.4
93.71846	1.3
95.04958	1.2
97.02887	5.7
100.00089	2.8
101.00861	8.0
109.02876	2.7
109.37586	1.2
113.00861	2.6
118.01144	8.4
119.01923	13.8
119.04927	12.3
121.06488	4.6
127.02403	1.6
131.01874	8.4
133.03560	1.6
137.03029	1.7
137.05972	35.1
137.07034	1.7
142.01091	6.1
143.01927	12.7
144.02708	2.0
145.03502	8.5
147.04396	32.6
147.05469	1.9
148.04706	2.2
155.01868	7.9
156.02705	7.0
156.97504	1.5
157.03432	4.0
160.02147	8.8
161.02968	20.8
167.29724	1.3
168.02711	5.8
172.02217	2.4
173.02966	10.3
177.04004	3.4
178.01115	4.5
181.03430	7.0
184.02222	2.8
185.02983	3.2
186.03728	5.6
193.03546	1.8
194.04333	2.1
195.05049	18.2
196.02107	12.7
197.02875	4.8
199.04485	1.8
203.03961	7.7
204.02805	1.8
205.03568	4.3
207.05222	1.6
210.03687	3.0
213.01086	1.6
213.06175	2.3
216.02733	2.0
217.03615	1.4
218.04276	3.7
219.01941	2.6
219.02907	1.7
219.05049	28.5
220.05336	2.5
221.02992	2.6
221.04926	13.5
222.03708	6.9
223.04425	6.1
225.00105	1.6
226.03131	2.3
231.02069	1.6
231.05048	4.7
233.06633	2.8
234.03703	2.8
235.04625	1.7
236.05263	3.1
237.06068	32.2
238.06354	2.0
240.04753	2.9
241.03528	1.4
244.04282	100.0
245.04524	8.4
246.03764	4.7
247.04509	8.5
248.05086	2.6
249.06067	6.0
250.06746	1.6
252.04712	2.3
255.01784	1.5
259.04535	7.2
260.05246	2.1
261.06052	13.4
262.05304	13.1
263.07861	2.5
264.04681	16.7
265.05429	3.8
267.07162	2.0
272.05280	2.2
273.03085	2.1
273.06042	3.5
273.08661	2.1
276.04929	2.3
278.06375	1.5
279.01941	2.2
279.07175	21.0
280.07175	1.8
285.02899	1.6
288.04553	2.3
291.07153	4.9
293.08978	1.8
295.05121	2.3
297.08334	10.5
300.04941	3.8
303.06879	1.6
307.06625	18.9
309.05191	1.5
309.08252	5.9
320.07407	2.9
321.02509	1.7
321.08145	17.3
329.03687	2.2
331.06653	1.6
333.08234	2.7
336.06989	9.0
339.09155	2.9
347.04446	3.1
348.06903	66.9
349.07407	9.8
351.09058	4.0
357.04971	2.5
363.09229	32.9
364.09418	3.5
366.07864	9.2
369.05359	1.7
369.10370	3.0
381.10306	82.8
382.10455	10.3
399.11374	58.2
400.11462	7.6
417.11972	3.7
435.06033	2.9
441.12589	4.4
459.06592	1.8
459.13629	10.3
477.06833	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49860	0.5
55.01866	0.8
55.47063	0.4
65.03944	4.1
67.05505	2.1
69.03423	1.3
69.07062	0.8
69.13937	4.2
72.04504	1.5
79.05508	0.4
81.07066	1.1
82.04194	1.6
85.02912	3.4
88.02207	0.8
89.08884	0.4
93.03414	1.0
93.07043	0.5
95.04974	0.7
95.08619	0.9
97.02917	0.6
97.06535	1.7
101.06011	0.6
102.03789	0.8
107.08549	0.6
108.02100	0.9
109.10155	0.5
110.03660	1.8
111.04467	1.1
113.05944	0.6
114.03766	1.0
121.10177	0.5
125.05996	1.8
131.06361	0.7
132.04803	1.5
137.05988	0.8
137.09654	0.4
138.03145	1.2
142.02606	2.5
142.08650	1.3
147.22557	0.5
149.06332	0.4
149.07422	2.5
151.06374	0.4
151.07553	1.5
153.05446	2.0
166.38644	0.5
171.06555	3.1
178.48503	0.4
181.04961	100.0
182.05283	2.6
184.09691	1.1
185.09644	0.5
243.11661	0.7
252.08693	17.3
253.08955	0.7
261.12677	4.8
281.13873	0.6
317.08432	1.7
329.11661	9.2
335.63068	0.6
359.15872	0.6
441.16882	9.6
459.18533	2.4
459.25415	8.7
475.92325	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
55.01868	1.2
57.03442	0.9
65.03946	1.0
67.05511	1.0
68.19854	0.4
68.56583	0.4
69.03433	0.7
71.05013	0.8
73.02925	4.6
79.05497	1.5
81.03403	0.5
81.07067	0.8
85.02934	0.5
88.56672	0.5
91.05482	5.1
92.68674	0.4
93.07037	1.5
94.04195	3.8
95.04956	1.4
97.02879	0.5
98.97571	0.5
99.04435	1.1
103.05471	3.7
105.07030	2.1
107.01021	0.5
107.04948	2.0
107.08609	1.0
108.05693	0.6
109.06522	1.5
111.04453	0.8
111.76637	0.5
115.05439	4.2
117.05492	1.4
117.07027	3.7
119.04951	3.6
119.08617	0.9
121.06497	1.7
122.03654	9.9
123.08070	2.9
128.06239	1.8
129.07014	3.2
131.04924	4.8
131.08578	1.4
133.06479	2.0
135.08041	1.3
136.05174	0.6
137.05980	100.0
138.06299	4.1
140.02116	0.5
141.07031	1.2
143.04944	3.4
143.08546	0.5
144.05702	1.0
145.06502	2.5
146.03658	1.3
147.04448	2.3
147.08032	1.8
149.06000	2.0
149.09627	0.8
151.03917	2.2
151.07549	19.6
152.06184	0.6
152.07880	0.8
153.07004	1.6
155.08566	1.9
157.06506	3.2
158.07262	0.8
159.08026	1.4
160.05191	2.5
161.05983	7.3
161.09615	0.8
161.70232	0.5
162.06752	0.5
163.07553	6.2
165.05603	0.8
165.07018	1.9
165.09128	1.0
167.07010	0.6
169.06482	1.6
171.04390	0.8
171.08067	1.8
172.08871	0.6
173.06041	1.1
174.06752	1.9
175.07550	22.1
176.04713	0.5
176.08025	1.1
177.05458	5.2
177.09109	6.2
179.07068	2.4
179.08447	0.7
181.04965	2.5
181.06493	1.4
182.07266	1.1
183.08098	2.8
185.05981	1.1
185.09532	0.7
187.07538	5.6
188.08145	0.8
189.05502	1.1
189.07399	0.8
189.09126	6.7
190.07814	0.7
191.07054	5.4
191.08586	0.7
191.10730	1.3
193.08623	1.8
195.08296	0.9
195.10165	16.3
196.10558	0.6
197.06070	0.6
197.09592	0.8
198.06825	0.8
199.07561	2.6
201.09111	4.0
202.06175	0.7
203.07045	3.6
203.08749	0.8
203.10732	1.0
205.06734	1.0
205.08623	2.8
207.08275	0.6
207.10144	1.5
208.09084	0.6
209.08075	2.0
211.07538	1.6
213.09059	2.6
215.07008	1.6
215.10721	1.5
217.08504	3.8
219.08058	1.3
219.10194	6.2
221.06125	0.6
221.08089	1.3
221.09857	0.7
221.11613	0.7
222.06769	0.6
223.07607	0.7
224.08258	0.5
225.09013	1.3
229.08582	1.5
231.08070	1.1
231.09991	2.6
232.08823	0.8
233.07935	0.8
233.11617	2.7
234.06702	0.8
235.07556	0.7
235.09624	3.8
236.08289	0.8
237.09102	1.0
237.11316	0.6
239.10880	1.1
241.08658	2.3
243.10162	1.2
245.09598	1.6
245.11786	1.0
247.07562	1.3
247.09752	0.9
248.08328	1.6
249.09102	1.7
249.11293	0.9
250.09822	0.7
253.08534	1.6
255.10243	0.9
257.11884	1.0
259.07349	0.7
259.09677	1.5
259.13312	1.3
261.08997	0.9
261.11246	6.2
262.06180	0.8
262.09763	1.3
263.06976	1.0
263.10593	0.6
264.07880	1.0
265.08563	2.6
267.10175	1.0
271.07565	0.6
273.09100	1.6
273.11646	0.7
274.09937	1.1
275.07367	0.6
275.10468	1.0
276.07828	1.6
277.08444	2.8
278.09055	0.6
279.06577	0.6
279.10095	1.5
279.12704	1.0
281.08118	1.2
281.11612	0.9
284.08185	0.8
285.09082	0.7
287.10342	0.8
287.13065	0.7
289.08710	0.8
290.09509	1.4
291.09833	2.4
292.10672	0.7
293.08072	1.6
293.11343	0.7
294.09073	0.9
295.09641	0.9
296.10480	0.9
297.11279	3.2
299.12869	3.0
302.09473	1.0
303.10126	1.2
305.08264	0.8
305.11417	4.3
306.08920	0.6
307.09595	1.6
307.12863	0.7
308.10321	1.5
309.11118	4.9
310.11676	0.6
311.12683	4.0
313.14325	1.1
315.10196	0.6
316.11115	0.7
317.11713	1.9
319.09607	1.0
320.10501	0.7
321.11218	2.1
322.11902	1.1
323.12695	3.2
325.14264	1.3
328.13040	1.4
329.14127	1.1
331.13205	0.9
335.12643	3.8
337.14340	4.6
339.15976	0.9
341.13885	2.6
342.14474	0.8
343.15466	2.5
347.12613	0.7
349.14380	2.5
351.12216	0.9
353.13828	2.5
355.15454	8.0
356.15729	0.5
357.16995	1.4
361.14420	0.6
363.15875	1.4
365.13800	1.6
367.15417	7.4
373.16907	0.7
379.15366	2.1
381.17047	1.3
383.14807	0.6
385.16339	2.0
395.18515	0.9
397.16418	1.8
405.17032	1.3
423.18024	4.6
441.18878	1.3
459.19955	2.4
459.25735	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2527
Annotation	Adenostin A
Peak:m/z	Relative Intensity
51.92886	0.4
55.05510	2.1
63.78357	0.4
67.05516	3.0
69.03434	0.7
69.07076	1.0
71.19677	0.4
79.05502	2.0
81.07067	2.6
83.04982	6.2
84.22477	0.4
91.05482	2.7
93.07039	3.7
95.04994	1.0
95.08599	3.8
97.06536	0.5
98.23391	1.6
103.05478	0.6
105.07021	3.0
107.08604	2.3
109.06563	0.7
109.10153	1.1
111.04453	3.2
111.08099	1.0
117.07003	0.9
119.08579	3.1
121.06452	0.5
121.10148	1.6
123.08038	0.7
123.11691	0.4
128.06224	1.2
129.07005	1.8
131.08586	3.1
133.06555	0.6
133.10152	2.4
135.08098	0.5
139.07539	0.6
141.07031	1.0
142.07791	1.3
143.08524	2.4
144.09370	0.8
145.10114	2.1
147.08098	1.0
147.11682	0.7
151.07527	0.5
153.07033	1.1
154.07793	1.0
155.08559	15.0
156.09225	1.4
157.10114	2.1
159.08041	0.9
159.11703	1.3
161.09650	1.6
165.07040	1.5
165.09087	1.1
166.07822	0.5
167.07059	1.1
167.08585	3.2
168.09233	0.5
169.10098	4.3
170.10837	0.4
171.08049	0.4
171.11713	1.9
173.09709	0.6
173.13264	0.6
175.11182	0.6
176.48660	0.4
177.09282	0.5
178.07730	0.8
179.08510	4.2
180.09317	1.0
181.10133	2.2
182.10829	0.8
183.11742	1.2
185.09669	0.5
185.13289	0.6
187.11165	1.1
191.08583	1.0
192.09320	2.1
193.10194	2.8
194.10931	3.1
195.08148	0.6
195.11626	2.8
197.09634	1.6
197.13318	0.6
199.11272	0.5
202.07816	0.4
203.08604	1.2
204.09328	0.5
205.10211	2.5
206.10912	3.1
207.11664	6.3
208.12395	0.7
209.09837	0.4
209.13257	5.2
210.13647	0.6
211.14937	0.5
213.09042	2.0
215.08580	0.6
215.10689	1.4
216.09201	0.6
217.10162	1.2
218.10886	1.0
219.11720	3.4
220.12416	1.6
221.13214	4.1
225.12778	0.5
229.10120	1.7
230.10861	2.0
230.28796	0.8
231.11665	2.3
232.12509	1.5
233.13249	2.3
234.13991	0.7
235.11250	1.8
235.14786	0.9
236.11977	0.5
237.12825	0.8
243.11690	2.2
244.12354	2.1
245.13271	4.7
246.13995	0.7
247.14905	1.8
249.12721	0.7
251.10748	0.6
253.12279	1.6
255.11531	0.6
255.13835	5.8
257.13150	2.5
258.14008	1.8
259.14841	3.4
260.15668	1.6
261.12827	0.6
261.16391	0.9
263.14322	0.5
265.12271	1.6
267.13776	3.6
269.13318	0.7
270.14053	0.9
271.14874	1.6
272.15640	1.0
273.13434	0.4
273.16391	2.5
274.17007	0.6
275.14301	0.8
275.18042	0.7
279.13782	0.8
283.14783	0.4
284.15643	0.9
285.13129	0.6
285.16458	2.1
286.17050	0.6
287.14511	0.9
287.18015	1.2
288.15149	0.7
289.15970	0.5
291.13831	0.9
299.17957	2.0
301.15921	0.5
301.19409	1.0
303.13831	0.6
303.17276	0.6
305.15451	1.6
315.17548	0.6
317.15359	0.9
318.16116	0.6
319.16898	1.6
320.17715	0.6
323.17871	0.5
327.17416	1.3
329.19272	0.5
331.16885	0.7
333.18512	0.7
342.19861	0.7
343.16992	0.5
345.18527	4.0
346.19083	0.8
347.20007	1.1
349.21396	0.6
359.19974	0.9
360.20901	1.9
395.23431	0.6
399.23361	1.2
413.24777	2.6
414.25296	0.6
415.26459	2.1
423.23288	0.6
431.25839	0.8
441.24252	13.5
441.30478	0.7
442.24335	1.3
449.70630	0.4
459.25290	100.0
460.25632	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01868	2.4
55.05509	5.6
55.93944	0.6
56.22330	0.7
57.03434	0.7
62.96843	0.7
65.03951	1.2
66.01933	0.7
67.05505	11.1
69.03416	2.5
69.07066	3.0
69.12199	6.5
71.04999	0.7
77.03938	1.3
79.05499	6.0
81.03400	0.9
81.07053	7.5
83.04987	10.3
83.08644	1.1
88.02466	0.7
88.39146	0.6
91.05470	10.6
93.07048	10.7
95.04974	4.6
95.08609	17.6
97.06523	1.6
98.22569	1.5
103.05464	1.1
103.72137	0.7
105.03394	16.1
105.04478	1.4
105.07036	13.5
107.08591	7.4
109.06523	3.4
109.10153	2.0
111.04433	4.4
111.08081	3.4
115.05468	2.3
117.07021	3.7
119.04932	1.0
119.08565	9.4
121.06523	3.8
121.10137	4.7
123.08053	3.8
128.06221	5.4
129.06996	5.6
130.07774	0.8
131.04997	0.8
131.08574	6.5
133.06525	2.6
133.10130	6.5
135.08054	5.2
135.11745	1.0
137.05984	2.5
137.09688	0.9
139.07541	1.7
141.06995	4.2
142.07753	6.3
143.08551	7.9
145.06508	3.1
145.10136	6.5
147.08069	3.2
147.11694	3.7
149.06029	1.3
149.09639	2.0
152.06136	1.2
153.06958	1.5
154.07788	2.5
155.08556	9.1
156.09398	2.5
157.06502	2.2
157.10103	8.9
158.07297	1.2
158.10788	0.8
159.08073	5.1
159.11667	4.7
160.08829	0.9
161.09595	4.8
161.13210	0.9
163.11194	1.3
165.06972	5.0
166.07712	2.4
167.08543	6.1
168.09288	1.8
169.06506	1.7
169.10132	8.9
170.10834	1.2
171.08041	4.2
171.11696	4.2
173.06061	0.8
173.09601	4.0
173.13309	1.7
175.11215	2.0
177.09097	0.8
178.07796	2.6
179.08545	7.0
180.09338	3.0
181.06494	1.4
181.10103	6.7
182.07243	0.8
182.10872	1.4
183.08090	2.6
183.11604	3.9
184.08852	1.0
185.06024	0.9
185.09607	5.1
185.13277	1.9
187.07495	1.2
187.11192	4.2
189.06960	0.8
189.09193	1.3
189.12811	2.7
190.07785	1.2
191.08582	3.5
192.09372	4.4
193.10118	8.7
194.10930	3.1
195.08075	4.7
195.11699	6.1
196.08862	1.2
196.12437	1.0
197.05984	1.8
197.09618	6.0
197.13298	1.3
198.06815	1.1
199.07555	4.7
199.11189	3.2
199.14783	1.2
201.09111	1.4
201.12772	1.1
202.07776	3.0
203.08582	5.6
204.09378	3.0
205.06381	1.2
205.10187	5.7
206.10799	3.9
207.08101	2.5
207.11653	8.2
208.08861	1.9
208.12370	2.1
209.05983	0.9
209.09692	4.3
209.13258	5.3
210.10362	2.2
211.07603	2.9
211.11168	2.5
213.09088	7.4
213.12762	2.4
215.08556	2.8
215.10690	2.8
216.09303	5.5
217.10112	9.7
218.07428	0.9
218.10817	4.9
219.08084	2.9
219.11662	8.5
220.08812	2.9
220.12422	2.6
221.09657	4.4
221.13237	7.0
222.10478	3.3
222.13747	1.1
223.07646	1.8
223.11192	6.1
223.14798	1.9
224.11806	1.4
225.09073	2.9
225.12738	3.4
227.10756	1.9
227.14301	1.0
228.09282	0.8
229.10155	5.0
230.10870	3.5
231.08141	1.7
231.11713	9.2
232.08820	2.3
232.12315	4.8
233.09718	3.7
233.13210	7.6
234.10349	2.6
234.13913	1.6
235.07481	2.1
235.11157	8.2
235.14853	2.8
236.08250	1.1
236.11861	1.7
237.09093	4.8
237.12729	5.1
237.16409	1.5
239.10701	3.0
239.14279	1.2
241.10135	1.3
241.12331	1.6
242.10962	2.0
243.11652	6.5
244.08804	1.4
244.12505	4.2
245.09610	3.4
245.13290	5.6
246.10384	3.0
246.14073	3.2
247.07690	1.0
247.08923	0.9
247.11229	6.6
247.14679	3.6
248.08295	1.6
248.12042	2.1
248.15611	1.8
249.09073	4.5
249.12674	5.2
249.16489	1.6
250.09906	1.5
251.10690	3.5
251.14284	2.5
253.10085	1.1
253.12271	6.2
255.11543	1.8
256.12439	2.3
257.09534	1.4
257.13318	4.8
258.10425	1.9
258.13992	4.3
259.11197	6.6
259.14783	8.8
260.11948	3.0
260.15710	2.6
261.09195	2.6
261.12775	7.4
261.16388	3.1
262.09915	1.5
262.13416	1.6
263.10730	8.1
263.13815	4.2
263.18106	1.5
264.11432	1.0
265.12271	11.9
265.15598	1.4
267.11395	1.4
267.13904	2.4
269.13327	1.5
271.11188	2.4
271.14740	4.0
272.11978	2.1
272.15665	2.3
273.12704	2.6
273.16379	7.2
274.09869	0.9
274.13470	1.8
274.17081	2.0
275.10742	3.2
275.14322	6.7
275.17944	3.8
276.11475	2.1
276.14923	2.7
276.18658	1.1
277.12277	8.9
277.15866	4.9
277.19153	1.5
278.13107	1.2
278.16452	1.1
279.13889	6.2
279.16718	1.2
281.15509	2.0
282.13766	0.9
283.14847	1.6
285.12750	2.4
285.16464	2.9
286.13498	3.0
286.16797	0.9
287.10962	1.3
287.14310	4.0
287.17877	1.6
288.11600	0.9
288.15070	2.1
289.12228	4.0
289.15909	3.8
290.12964	1.8
290.16513	1.5
291.13870	4.8
291.17468	5.3
293.15469	1.3
298.13428	1.2
298.16824	1.0
299.14279	2.0
299.18030	3.0
300.15286	1.0
300.18555	1.0
301.12488	1.4
301.15857	8.0
301.19147	0.9
302.13205	1.2
302.16519	2.5
303.13788	4.6
303.17438	3.4
304.14542	2.5
305.15396	5.4
306.15814	0.9
307.16895	2.0
311.14236	1.4
312.15054	0.8
313.15872	1.5
315.17413	1.8
315.20868	1.6
316.18195	1.1
317.15402	6.0
317.18991	2.6
318.16074	2.0
319.16901	21.5
320.17627	7.0
321.18524	6.3
327.17435	3.4
329.15466	1.0
329.19025	2.0
331.16965	1.9
331.20633	1.4
333.18091	1.0
339.17422	0.9
341.18985	1.2
342.19952	1.2
343.16855	1.2
345.18472	12.6
347.19937	1.8
353.18912	1.3
359.20108	2.1
360.20667	4.1
363.19656	1.8
371.19879	1.3
383.19962	1.0
385.21640	1.8
395.23700	2.3
397.21606	1.4
399.23416	2.2
413.24762	10.4
414.25183	1.5
415.22614	2.5
417.24347	2.1
423.23099	4.5
431.25885	10.1
432.26459	1.0
441.24243	32.0
442.24725	2.5
459.25290	100.0
460.25684	11.2
477.25632	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
53.31723	0.7
55.01877	0.9
55.05511	2.0
65.03951	1.3
67.05499	4.1
69.03435	4.4
69.04821	6.2
69.07072	2.9
79.05505	8.2
81.07072	5.0
83.04979	2.2
87.11920	0.7
91.05483	14.2
91.54084	0.6
93.07042	6.6
95.04965	1.9
95.08608	4.5
97.06497	0.9
103.05487	1.1
105.04527	0.8
105.07041	16.9
107.04952	1.0
107.08600	14.2
109.06529	2.9
109.10160	1.6
111.04452	0.9
115.05463	2.8
117.07008	6.0
119.08582	13.8
121.06536	2.8
121.10171	3.1
122.14732	0.8
125.19576	0.8
128.06213	5.9
129.07013	6.3
130.07840	1.5
131.08565	18.6
131.09500	1.3
133.06487	7.9
133.10139	12.3
135.08058	7.0
137.05974	1.0
141.06990	5.0
142.07780	7.3
143.08577	17.2
144.09326	1.4
145.06523	2.5
145.10132	9.4
146.07306	0.9
147.08054	3.9
147.11751	2.0
149.09647	2.1
151.07599	1.8
152.06303	1.0
153.07028	2.3
154.07803	1.9
155.08562	14.7
156.09337	6.7
156.50822	0.8
157.06464	1.2
157.10136	11.7
158.07312	1.1
158.10672	1.3
159.08096	9.8
159.11690	6.3
161.09622	14.5
162.70288	0.9
165.07043	3.5
166.07755	2.0
167.08574	5.9
168.09363	2.3
169.06453	1.5
169.10126	13.3
170.10907	0.9
171.08032	4.4
171.11700	8.3
172.08826	0.9
173.09644	4.8
173.13275	9.4
174.13638	1.3
175.11220	6.4
177.09143	1.9
178.07744	1.6
179.08580	5.0
179.10649	1.5
180.09355	2.9
181.10146	6.5
182.07277	1.2
182.10898	2.5
183.08144	2.3
183.11720	5.6
184.08859	1.0
184.12508	0.8
185.09593	5.6
185.13280	2.1
187.07523	4.3
187.11172	4.2
189.09171	2.1
189.12929	1.2
191.08601	2.6
191.10504	1.0
192.09377	2.2
193.10088	6.0
194.10959	3.5
195.08109	2.5
195.11714	9.6
196.08911	1.6
196.12350	4.1
197.09584	5.0
197.13255	7.4
198.10463	1.4
199.11220	6.0
199.14850	1.8
201.09143	1.4
201.12740	3.0
203.08807	0.8
203.10678	3.7
204.09364	1.1
205.08618	2.0
205.10196	2.8
206.10934	3.1
207.11734	5.2
208.12416	1.8
209.09682	3.1
209.13271	8.0
210.10478	1.1
210.14069	2.2
211.11305	5.0
211.14824	17.3
212.15530	4.9
213.12776	3.2
213.16383	1.1
215.08614	1.3
215.10657	1.5
215.14214	1.4
217.10130	1.8
218.10803	0.9
219.08203	0.8
219.11766	4.1
220.12419	1.4
221.09689	1.3
221.13339	5.5
222.10422	1.8
223.11198	9.7
223.14856	3.4
224.11934	3.1
224.15602	1.4
225.12740	5.8
225.16460	2.2
227.14316	1.7
229.10152	1.2
229.12276	1.0
230.10936	1.2
231.11696	2.2
232.12451	2.3
233.09610	1.2
233.13336	3.1
234.14107	1.4
235.11261	2.2
235.14885	2.8
236.12042	1.6
236.15411	0.9
237.12798	6.0
238.13524	2.7
239.10663	1.8
239.11839	1.1
239.14313	19.2
240.15051	3.9
241.12231	3.7
243.11780	2.4
244.12465	1.3
245.13356	2.0
246.14006	1.0
247.11153	1.2
247.14888	2.2
249.12654	3.6
251.14400	3.8
253.09877	1.0
253.12349	2.3
253.15848	2.3
255.11617	1.5
255.13997	1.2
256.12399	1.0
257.13275	1.3
258.14081	1.3
259.11035	0.9
259.14890	3.5
260.11972	0.9
260.15414	1.6
261.12720	1.9
261.16495	1.9
263.14389	2.5
265.15967	1.0
271.14972	1.6
273.12863	1.8
273.16367	1.4
275.14328	2.2
275.17929	1.8
277.15933	2.0
279.14014	1.0
284.15396	0.9
285.12827	1.0
287.14386	1.9
287.17892	1.2
288.18671	1.0
289.15958	1.7
291.13803	1.5
291.17426	1.4
293.15472	1.3
295.14587	1.2
297.12961	1.1
297.16287	1.0
298.78519	0.8
299.14581	1.0
299.17966	1.5
301.16049	1.9
301.19391	1.7
303.17474	1.3
305.15640	1.2
305.18896	1.3
311.14252	1.8
315.17606	1.3
315.21155	1.2
319.16919	1.8
319.20526	1.0
325.15952	1.2
329.18777	0.8
339.17508	1.6
341.15271	1.0
343.16946	1.4
343.20602	1.9
353.18933	1.0
353.22754	1.2
357.18542	1.9
359.19891	1.0
361.18100	1.1
365.19058	1.7
371.23700	2.3
373.21552	1.1
375.19479	1.2
381.22421	1.5
383.19922	1.2
385.25278	2.7
389.24786	9.1
390.25620	0.9
395.23859	6.7
398.22495	1.3
399.23254	5.4
403.26169	0.9
405.22113	1.9
413.24765	36.4
414.25253	4.9
417.24408	4.8
423.23227	10.3
424.23782	1.8
431.25827	100.0
432.26129	11.9
441.24268	29.3
442.24512	3.0
459.25342	47.4
460.25882	7.1
477.26294	6.6
478.26321	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01869	1.8
55.05508	4.5
65.03932	1.6
67.05502	8.5
69.02910	5.7
69.03423	4.1
69.07071	2.1
71.04965	0.9
75.20384	0.6
79.05502	4.7
81.03419	1.0
81.07050	3.4
83.04987	6.3
91.05478	9.9
93.07040	16.0
95.05000	3.7
95.08609	15.2
97.06535	1.8
98.22614	1.4
103.05470	1.3
105.07034	14.9
107.04908	0.8
107.08591	9.4
109.06520	3.2
109.10173	1.7
111.04429	3.8
111.08067	7.9
113.06044	0.9
115.05455	2.0
117.07029	3.4
119.08579	11.2
119.27490	0.7
121.06513	7.5
121.10144	2.0
123.08087	3.4
128.06236	3.5
129.07042	5.5
131.05916	0.9
131.08574	5.1
133.06512	2.2
133.10136	8.6
135.08067	4.6
135.11705	1.4
136.33597	0.7
139.07556	2.7
141.06981	3.5
142.07767	4.4
143.08562	7.2
145.06505	2.0
145.10118	5.4
146.07257	1.8
147.08057	2.3
147.11681	1.7
149.09615	1.7
153.06989	3.0
154.07819	1.4
155.08539	8.6
156.09323	3.2
157.06523	3.0
157.10129	6.2
158.07278	1.3
159.08054	3.2
159.11710	3.0
160.08716	1.5
161.09616	18.1
163.07481	1.8
163.11211	3.4
165.07018	5.2
166.07817	2.0
167.08600	5.9
168.09306	1.2
169.10147	9.9
170.10867	1.3
171.08020	3.8
171.11676	5.3
172.08846	1.2
173.09641	3.1
173.13278	0.9
175.11230	2.8
178.07788	2.6
179.08565	6.5
179.09982	0.7
179.10732	1.0
180.09338	4.0
181.06529	1.0
181.10127	4.9
182.10854	1.6
183.08066	2.5
183.11766	2.9
184.08867	1.1
185.09633	2.8
185.13309	0.9
187.11220	2.7
189.09132	5.8
191.08614	2.3
192.09361	4.4
193.10127	9.0
194.10912	4.9
195.08089	6.0
195.10181	0.9
195.11685	7.5
196.08838	1.7
197.09647	4.9
197.13248	2.8
199.11180	8.3
202.07776	1.4
203.08752	1.9
203.10635	17.7
203.12462	1.4
204.09325	2.3
205.10112	4.2
205.11940	0.9
206.10887	5.4
207.08183	1.6
207.11702	9.3
208.08908	1.4
208.12450	2.9
209.09682	4.4
209.13239	8.6
211.11212	3.0
211.14766	1.5
212.12053	1.0
213.08945	1.5
213.12802	2.1
215.08650	1.8
215.10750	2.4
216.09467	1.6
217.10112	3.3
218.10880	3.1
219.08200	1.3
219.11670	8.0
220.08791	0.9
220.12430	4.4
221.09760	4.6
221.13234	8.4
222.10446	3.5
222.13927	1.9
223.11206	4.7
223.14780	4.0
225.12790	2.2
227.10637	1.0
227.14328	1.1
229.10185	2.8
230.10933	2.6
231.08223	0.9
231.11668	4.1
232.12502	2.1
233.09595	2.3
233.13196	5.5
234.10258	1.2
234.14044	1.4
235.11237	5.2
235.14703	5.3
236.11929	3.4
237.12721	13.6
238.13443	2.6
239.14342	2.6
241.12320	1.0
243.11755	4.2
243.13922	1.1
244.12514	4.0
245.09621	1.4
245.13283	6.9
246.10387	1.3
246.13988	2.2
247.11148	4.6
247.14818	5.3
248.11995	2.5
248.15578	1.3
249.12694	4.5
249.16473	1.8
250.13269	1.1
251.14365	6.8
253.12274	1.6
253.15868	0.9
255.11635	1.6
255.13956	1.5
256.12405	1.6
257.13199	3.5
258.10400	0.9
258.13998	2.1
259.11307	3.4
259.14725	5.2
260.11969	2.2
260.15564	2.9
261.12714	5.2
261.16397	3.7
262.13528	1.8
263.10391	1.6
263.14359	9.3
263.17908	2.1
264.15033	1.7
265.12396	1.4
265.15863	1.7
267.13980	0.8
269.13275	1.6
270.14035	1.7
271.11368	1.1
271.14780	2.8
272.11990	2.6
272.15363	1.4
273.12814	2.6
273.16449	3.4
274.13397	1.9
274.17126	1.5
275.14609	4.3
275.17578	4.1
276.15134	1.7
277.12476	1.9
277.15912	5.5
278.16400	0.8
279.13873	2.0
279.17194	0.8
281.15717	1.1
283.14914	1.4
285.13083	1.6
285.16382	3.3
287.14359	3.2
287.17700	1.3
288.14984	2.0
289.12433	0.9
289.15912	3.1
289.19537	2.4
291.14117	1.1
291.17505	3.0
292.18198	1.5
293.15686	1.1
293.19012	1.3
299.09192	1.0
299.14374	1.8
299.18015	2.0
300.15143	1.5
301.15854	4.3
301.19153	1.2
302.13440	0.8
302.16702	2.3
303.13846	1.9
303.17468	7.2
305.15436	5.1
305.18774	1.8
307.16959	1.0
311.17664	1.1
312.15030	1.5
313.15921	0.9
313.19415	1.2
315.17465	1.4
315.21078	1.2
317.15338	2.4
317.19077	3.8
318.19684	1.0
319.17090	4.3
319.20419	1.4
320.17728	2.8
321.18564	3.2
324.14850	0.9
327.08572	0.9
327.17535	2.6
328.18066	0.9
329.18973	1.8
331.16965	1.4
331.20529	1.5
333.18445	1.1
342.10895	1.4
342.19617	0.9
343.20801	1.0
345.18423	4.8
347.20264	4.2
359.20132	2.0
360.21234	1.0
365.19037	0.9
371.23703	1.2
381.22366	2.1
385.25403	1.6
389.24841	2.7
393.18375	1.0
395.23718	1.7
399.18793	1.0
399.23407	5.4
403.26385	1.3
405.22064	0.9
408.20682	1.0
413.24786	10.8
414.25095	1.2
415.26843	1.5
417.24368	10.9
423.23260	11.8
424.23697	1.4
431.25845	37.5
432.26001	4.5
441.24243	35.8
442.24698	3.4
459.25317	100.0
460.25735	11.8
477.26358	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01881	1.0
55.05514	4.0
67.05502	5.8
69.03419	1.1
69.07056	1.2
69.08776	4.8
69.09093	1.0
71.04997	0.6
79.05496	3.2
81.03446	0.5
81.07056	3.7
82.37708	0.5
83.04983	14.1
84.05341	0.4
91.05489	5.3
93.07050	8.5
95.04964	2.3
95.08610	7.6
97.06583	1.0
105.07036	7.1
107.04893	0.5
107.08597	3.4
109.06525	1.9
109.10152	0.9
111.04448	7.2
111.08075	3.2
112.52515	0.6
115.05460	1.1
117.06995	2.5
119.08581	6.0
121.06509	2.5
121.10173	1.4
123.08092	1.2
123.11760	0.7
128.06216	2.0
129.06992	3.3
130.07761	0.9
131.08568	4.4
133.06487	0.8
133.10124	4.0
135.08084	2.5
139.07532	1.4
141.06978	3.3
142.07819	2.4
143.08588	3.9
144.09296	1.4
145.06516	1.5
145.10126	3.5
147.08032	1.6
147.11705	1.8
149.05934	0.6
149.09607	0.9
152.06192	0.9
153.06996	1.9
154.07776	3.6
155.08559	12.5
155.09819	0.8
156.09349	2.2
157.06502	1.6
157.10121	3.4
159.08066	1.8
159.11719	2.3
161.09610	1.8
165.07024	2.8
166.07742	0.6
167.08572	4.1
168.09311	1.0
169.10124	12.1
170.07285	0.5
171.08070	2.1
171.11748	2.3
172.08780	0.9
173.09633	2.3
175.11099	0.9
178.07799	2.1
179.08533	5.4
180.09354	2.0
181.06522	1.4
181.10123	4.3
182.07286	1.4
182.10950	1.6
183.08102	1.1
183.11714	2.9
185.09673	1.2
185.13322	0.9
187.11172	2.7
191.08594	2.2
191.10442	0.5
192.09329	4.1
193.08476	0.7
193.10127	5.4
194.10869	2.7
195.08083	3.5
195.11697	4.9
196.08713	0.7
197.09616	9.2
197.13295	1.7
198.10313	0.6
199.11139	1.0
199.14870	0.9
202.07712	1.1
203.08572	1.6
204.09331	2.0
205.10126	4.3
206.10905	3.6
207.08154	0.8
207.11679	8.2
208.12418	0.8
209.09647	2.0
209.13249	3.4
210.10399	0.7
210.19630	0.6
211.11221	1.2
211.14922	0.6
213.09125	1.5
213.12766	0.9
215.08572	1.7
215.10704	3.9
216.09375	2.3
217.10133	3.4
217.12013	0.7
218.10933	2.9
219.08287	0.6
219.11699	6.6
220.12427	1.5
221.09793	1.3
221.13249	5.8
222.10432	1.0
222.14027	0.9
223.11150	2.6
223.14682	0.8
225.12729	1.4
227.14259	1.0
229.10092	3.9
230.10883	3.1
231.08118	0.7
231.11678	4.8
232.08778	0.8
232.12479	1.9
233.09595	1.2
233.13232	3.8
234.10344	0.9
234.14163	1.0
235.11168	3.6
235.14850	1.3
236.11739	0.7
237.09164	0.7
237.12752	2.8
239.10693	0.7
239.14217	0.8
241.12218	0.9
242.10971	1.6
243.11703	5.0
244.12497	3.5
245.09625	0.9
245.13220	5.5
246.10403	1.3
246.14085	1.9
247.11035	2.6
247.14877	2.8
248.12013	1.0
249.12738	3.8
249.16438	1.3
251.14258	0.8
253.12344	1.7
255.11661	1.6
255.13870	1.7
256.12473	1.5
257.09784	0.6
257.13287	3.2
258.13977	3.5
259.11188	1.4
259.14859	6.3
260.12054	0.9
260.15506	1.5
261.12915	3.1
261.16382	2.0
262.13583	0.7
263.14297	1.4
265.12292	2.2
267.11383	0.7
267.13934	2.5
269.09686	0.6
269.13159	1.5
270.10706	0.6
270.13977	1.6
271.11435	0.9
271.14835	3.5
272.12222	1.2
272.15582	2.0
273.12799	2.1
273.16391	5.6
274.17078	1.0
275.14304	2.7
275.17923	2.1
277.12375	0.7
277.15930	2.3
279.13953	1.1
281.13022	0.9
282.13892	0.6
283.11362	0.9
283.14832	2.3
284.15567	1.8
285.12808	2.1
285.16351	4.7
286.13550	1.6
286.17032	1.4
287.14368	2.6
287.17966	1.9
288.18710	0.8
289.15897	1.6
289.19403	1.2
290.12823	0.6
291.17401	5.7
292.17841	0.8
297.12866	0.7
297.16333	1.1
298.17538	0.7
299.14273	2.4
299.17905	2.9
300.15366	0.9
300.18787	1.7
301.15918	3.8
301.19547	2.1
302.16644	1.6
303.14059	0.9
303.17401	1.5
303.20657	0.7
304.14557	0.9
305.15384	1.5
309.16183	0.6
311.14410	0.8
311.17938	0.8
312.15109	0.8
313.15811	1.6
314.20267	1.2
315.17474	1.1
315.20779	1.1
317.15546	1.3
317.18765	0.9
318.16135	0.6
319.16992	3.9
320.17477	1.5
321.18576	1.0
325.15781	0.6
327.17361	4.4
328.17963	0.8
329.15405	0.5
329.19009	1.8
331.17053	0.7
331.20419	2.5
340.02908	0.7
341.18942	1.2
342.19724	2.3
343.20627	0.8
345.18475	4.2
346.18918	0.8
347.20206	1.6
349.21667	0.8
359.19876	1.1
360.20810	2.9
361.21304	0.7
371.19824	0.7
383.20288	0.6
395.23804	1.5
399.18854	0.5
399.23373	3.8
400.23553	0.7
405.21942	0.6
413.24789	8.2
414.25146	0.7
415.26306	2.1
423.23074	3.8
431.25891	6.7
432.26300	1.0
441.24237	30.6
442.24649	3.1
459.25299	100.0
460.25607	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37304	0.4
55.01831	0.4
55.05456	0.9
55.05688	0.4
55.23656	0.4
59.04944	0.5
61.27449	0.3
65.03902	0.5
67.05426	2.7
69.03355	3.1
69.06995	1.5
69.10768	0.9
69.11174	2.9
77.03872	0.4
79.05489	4.8
81.03367	0.6
81.06969	4.3
83.04932	0.5
88.71825	0.4
91.05480	5.8
93.07047	4.6
95.04971	2.2
95.08511	1.6
95.09093	0.5
95.78838	0.3
97.02836	0.7
97.06433	0.4
102.10768	0.3
103.05392	0.6
105.07030	9.1
105.07673	0.4
107.04877	0.6
107.08611	3.5
109.06512	1.9
109.10078	0.6
111.04361	1.1
111.08018	0.4
115.05363	1.4
116.06155	0.4
117.07011	3.3
119.04849	0.7
119.08585	8.2
121.06498	3.3
121.10046	1.2
123.07983	1.5
128.06227	4.2
129.07008	6.1
130.07756	0.9
131.08568	4.5
133.06496	9.5
133.10143	3.1
134.07129	0.4
135.08047	2.4
137.05928	0.8
139.07520	0.6
141.05934	0.5
141.06970	5.8
142.07785	7.6
143.04781	0.5
143.08565	8.5
144.09180	0.9
145.06406	1.5
145.10129	4.4
146.07179	0.6
147.08051	5.9
147.11574	1.5
149.09567	0.6
153.06990	3.7
154.07767	5.1
155.08556	9.7
156.09351	7.1
157.06404	0.5
157.10124	13.8
158.07195	1.0
158.10522	0.7
159.08032	2.1
159.11629	1.7
160.08769	0.8
161.08459	0.5
161.09627	6.4
163.11192	0.6
165.06998	2.3
166.07721	1.7
167.07253	0.4
167.08537	4.8
168.09373	2.6
169.06454	3.2
169.10129	23.2
170.07130	1.2
170.10596	1.7
171.08054	3.6
171.11682	7.3
172.08855	0.4
173.09630	1.8
173.13188	1.4
175.07581	0.7
175.09734	0.6
175.11189	9.0
178.07655	1.1
179.07236	0.4
179.08537	3.7
180.09308	2.1
181.06450	0.7
181.08667	0.6
181.10114	8.3
182.05838	0.6
182.07281	6.3
182.10881	3.5
183.07889	1.6
183.11705	4.7
184.08702	0.8
185.09630	9.3
185.13164	1.7
186.06703	0.5
187.11127	0.8
188.08267	0.4
189.09039	1.4
191.08501	1.2
192.09312	1.8
193.10150	4.0
194.10925	2.8
195.07970	0.9
195.11702	6.1
196.08727	0.9
196.12444	5.6
197.09615	16.1
197.13249	5.1
198.10097	1.0
198.13805	0.6
199.11189	7.3
200.11523	0.4
201.08997	1.6
201.12575	0.9
203.10666	21.0
204.09264	0.6
204.11023	1.3
205.10121	1.9
205.11882	0.5
206.10884	2.8
207.07993	0.6
207.11702	4.1
208.08783	0.7
208.12318	1.5
209.09703	2.5
209.13266	7.7
210.10310	1.3
210.13818	1.8
211.11058	1.7
211.14810	27.8
212.15482	5.0
213.12654	1.7
213.16080	0.7
213.89998	0.4
215.08469	0.4
215.10626	0.8
215.14241	0.6
217.10075	1.2
217.12187	1.1
218.10765	0.7
219.07860	0.4
219.11671	2.3
220.12396	1.2
221.09613	0.9
221.11624	13.0
221.13309	2.6
222.10271	0.7
222.13768	0.9
223.11224	3.6
223.14758	3.6
224.11952	6.7
224.15448	1.2
225.12717	2.7
225.16249	1.0
227.14293	0.7
229.10019	0.4
230.10652	0.7
231.11638	1.1
231.13733	0.5
232.12329	1.2
233.13263	2.0
234.10307	0.8
234.13847	0.5
235.11111	1.3
235.14783	1.8
236.11815	0.7
237.12744	4.0
237.16307	2.1
238.13261	0.7
239.14293	34.5
240.14789	3.7
241.12170	1.3
241.15907	0.4
243.11649	0.6
244.12410	1.0
245.13167	1.0
246.13927	0.6
247.11093	0.8
247.14743	1.4
248.15430	0.4
249.12602	1.7
249.16344	1.4
250.13396	0.5
251.14178	1.1
252.14981	1.0
253.12256	0.7
255.13680	1.1
257.13095	1.0
258.13855	0.7
259.14752	1.1
260.12222	0.5
261.12622	0.6
261.16354	1.2
263.14218	1.0
265.12186	0.4
265.15717	1.2
267.13873	0.5
269.12863	0.5
271.14609	0.4
273.16260	0.6
275.14233	0.8
275.18030	0.8
285.16296	0.5
287.14304	0.8
287.17746	0.4
289.15808	0.8
293.15234	0.6
299.17685	0.5
303.17377	1.0
314.20062	0.6
329.18735	0.4
339.17361	0.4
395.23660	1.3
413.24783	7.7
414.24957	1.1
417.24353	0.9
423.23059	1.4
426.21979	0.5
431.25809	100.0
432.26135	12.2
441.24341	4.9
444.22321	0.5
459.25308	39.6
460.25586	5.0
477.26334	5.2
478.26208	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01870	1.1
55.05517	4.9
65.03930	0.8
67.05506	6.9
69.03431	0.7
69.07079	0.8
69.18382	4.8
72.76516	0.5
77.03952	0.6
79.05508	3.8
81.07053	4.1
83.04984	11.1
83.08620	0.7
91.05479	6.7
93.07046	8.1
95.04977	2.5
95.08611	8.4
95.64886	0.6
97.10130	0.6
103.05466	0.7
105.07040	7.0
107.08604	4.4
109.02901	0.8
109.06562	1.9
109.10171	1.7
111.04444	5.4
111.08078	3.0
115.05474	1.4
116.06183	0.7
117.07006	4.1
119.08589	6.4
121.06512	2.0
121.10175	1.9
123.08103	1.7
128.06264	3.1
129.07025	5.1
130.07867	1.0
131.08563	5.5
132.23279	0.6
133.06442	0.7
133.10124	4.7
135.08064	2.5
137.06035	1.0
139.07529	1.5
141.06982	3.1
142.07784	2.6
143.08592	6.1
144.09381	1.2
145.06512	2.6
145.10121	4.0
147.08078	1.9
147.11705	2.1
152.74478	0.5
153.07043	1.7
154.07817	2.9
155.08554	12.0
156.09373	2.9
157.06517	1.4
157.10135	4.8
159.08034	1.6
159.11728	2.4
160.12097	0.6
161.09659	1.8
161.13260	0.6
165.07004	2.8
166.07742	1.1
167.08539	6.0
168.09319	1.8
169.10133	7.9
170.10780	1.2
171.08095	1.4
171.11661	3.3
173.09647	1.8
175.11208	1.3
178.07845	1.7
179.08556	5.5
180.09338	2.1
181.06544	1.1
181.10162	3.8
182.07292	0.6
182.10934	1.0
183.08115	0.9
183.11745	3.1
185.09628	1.6
185.13231	1.7
187.11142	3.0
191.08595	2.0
192.09325	5.2
193.10092	6.8
194.10896	2.7
195.08105	4.4
195.11714	5.2
196.12404	0.7
197.09651	5.0
197.13289	1.9
199.11200	1.4
201.12758	0.9
202.07863	0.9
203.08618	2.3
204.09396	2.0
205.10182	3.9
205.12057	1.0
206.10933	3.3
207.11711	9.4
208.12498	1.7
209.09654	1.5
209.13274	4.4
211.11192	1.4
213.09155	1.9
213.12700	1.0
215.08611	1.8
215.10742	4.6
215.14297	1.9
216.09309	2.4
217.10080	3.4
218.10872	2.5
219.11690	6.7
220.12460	1.9
221.09650	1.1
221.13254	5.3
222.10344	1.2
222.13834	1.1
223.11139	1.6
223.14838	1.0
225.12735	1.7
228.09373	1.1
229.10091	4.7
230.10872	3.6
231.11679	6.4
232.12460	2.5
233.09734	1.2
233.13249	5.6
234.10130	0.7
234.14026	0.7
235.11163	2.2
235.14827	2.6
236.12015	0.9
237.12762	2.2
239.14299	1.3
241.10167	1.5
242.10992	1.0
243.11690	5.8
244.12463	4.5
245.09929	1.3
245.13239	8.4
246.14001	2.3
247.11194	2.8
247.14827	2.5
248.11955	0.9
249.12737	2.1
249.16440	1.4
251.10777	0.8
253.12354	2.4
255.11571	1.5
255.13890	2.9
256.12546	2.5
257.09897	0.7
257.10721	0.9
257.13208	5.9
258.10367	0.8
258.14041	3.9
259.11334	2.0
259.14862	7.5
260.11978	0.8
260.15536	3.2
261.12820	2.0
261.16415	2.1
262.13510	0.7
263.10596	0.7
263.14404	0.8
263.17987	1.1
265.12265	2.7
265.15970	0.9
267.13916	3.7
268.12500	1.0
269.13284	2.6
270.14078	1.7
271.11292	1.2
271.14871	4.6
272.12491	0.7
272.15552	3.0
273.12842	2.4
273.16443	5.7
274.13794	0.7
274.16989	1.4
275.14346	2.1
275.17935	2.5
276.18787	0.8
277.12219	1.1
277.15884	1.6
279.13895	0.8
282.14206	1.0
283.14749	1.5
284.12216	1.0
284.15643	1.8
285.12714	1.8
285.16373	4.0
286.13519	1.3
286.16916	0.9
287.14359	2.8
287.17926	2.2
288.15106	0.9
288.18552	1.1
289.15948	1.3
290.16479	0.7
291.13773	1.2
293.15436	0.9
294.13861	0.8
297.12860	0.8
297.16367	1.0
299.14273	2.6
299.17963	3.3
300.15109	1.5
300.18692	2.1
301.15897	4.2
301.19498	1.9
302.16959	1.1
303.13742	2.1
303.17416	2.0
303.20920	0.7
305.15482	2.0
307.17084	0.7
309.16217	0.7
310.17023	0.7
311.14398	0.8
312.14969	1.0
313.16037	1.3
314.20285	1.0
315.17618	1.1
315.21127	1.9
317.15277	1.5
317.18921	0.8
319.17023	3.7
320.17816	1.4
321.18649	0.9
327.17474	3.7
328.18246	0.8
329.19128	1.9
331.17035	1.4
331.20679	1.5
341.19119	1.5
342.19781	2.0
343.20544	0.9
345.18475	4.9
347.19949	1.4
349.21677	1.4
359.19879	0.9
360.20697	3.3
395.23709	1.6
399.18997	0.7
399.23373	5.7
405.22189	0.8
413.24747	7.9
415.26599	4.4
423.23123	2.8
431.25742	1.6
441.24249	28.3
442.24265	2.9
459.25314	100.0
460.25586	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2529
Annotation	Adenostin A
Peak:m/z	Relative Intensity
51.11322	0.1
53.03933	0.3
55.05500	0.4
56.39680	0.1
67.05492	0.6
69.03429	0.4
69.07063	0.2
70.17100	0.6
79.05493	0.7
81.07050	0.6
82.46204	0.2
83.04982	0.3
87.04420	0.2
91.05474	1.1
93.07051	1.0
95.05001	0.3
95.08611	0.9
105.07036	1.5
107.08591	1.1
109.06503	0.2
111.04440	0.4
111.08124	0.3
117.07011	0.7
119.08568	1.2
121.06500	0.2
121.10130	0.4
128.06221	0.6
129.06996	1.2
130.07739	0.3
131.08572	1.5
133.06497	0.2
133.10150	0.7
135.08044	0.3
137.06029	0.1
141.06998	0.6
142.07780	0.8
143.08571	2.0
144.09319	0.2
145.06438	0.3
145.10136	1.8
147.08061	0.6
147.11732	0.4
153.07027	0.3
154.07805	0.5
155.08549	4.7
156.09341	0.7
157.06560	0.3
157.10133	1.7
159.08047	0.4
159.11699	0.9
161.09637	0.3
165.07050	0.5
166.07758	0.2
167.08594	0.7
168.09431	0.3
169.06358	0.2
169.10126	2.8
170.10616	0.2
171.08076	0.3
171.11685	1.2
172.08804	0.2
173.09583	0.8
175.11208	0.6
178.07776	0.3
179.08592	1.0
180.09422	0.3
181.10071	1.2
182.10934	0.5
183.08116	0.2
183.11682	0.6
184.08746	0.2
185.09563	0.3
187.11139	0.4
188.19266	0.1
189.09126	0.5
189.12827	0.3
191.08618	0.3
192.09319	0.9
193.10155	2.1
194.10956	0.4
195.08089	0.4
195.11710	1.7
196.08795	0.2
196.12282	0.2
197.09673	0.8
197.13326	0.6
199.11234	0.7
203.10681	0.3
205.10167	0.8
205.11932	0.2
206.10916	1.8
207.11685	7.8
208.12305	1.0
209.09772	0.3
209.13248	1.6
210.10342	0.2
211.11115	0.2
211.15091	0.2
213.12732	0.5
215.08652	0.3
215.10713	0.4
217.10242	0.3
217.12234	0.5
218.10886	0.3
219.11714	1.3
220.12517	0.6
221.13257	6.1
222.10362	0.2
222.13953	1.2
223.11325	0.4
223.14801	0.4
225.09200	0.2
225.12791	0.8
229.10144	0.2
230.10812	0.4
230.34030	0.2
231.11702	0.6
231.13748	0.2
232.12352	0.3
233.13266	1.1
234.10439	0.2
234.14076	0.8
235.11183	0.2
235.14780	0.5
237.12717	0.4
239.14452	0.2
241.12222	0.2
243.11763	0.4
244.12471	0.4
245.13197	1.0
246.13908	0.5
247.11087	0.3
247.14816	1.1
249.12785	0.7
249.16475	0.5
252.11441	2.0
253.12225	1.3
254.12791	0.2
255.11490	0.3
255.13826	1.9
257.13193	0.5
258.14249	0.2
259.14862	1.0
260.15607	0.3
261.12793	0.2
261.16379	0.3
263.13940	0.2
265.12262	0.5
267.13797	10.5
268.14459	0.8
269.13229	0.3
271.14856	0.4
272.15543	0.4
273.12592	0.2
273.16440	0.7
274.17001	0.3
275.14539	0.2
275.17807	0.2
277.15903	0.2
280.26199	0.2
283.14627	0.3
285.16336	0.7
287.17926	0.3
289.19476	0.8
291.13727	0.3
293.15314	0.5
297.16449	0.2
299.17938	0.5
301.19391	0.2
303.13876	0.2
305.15475	0.4
313.19370	0.2
317.15292	0.2
319.16931	0.9
329.15219	0.2
333.18726	0.2
334.19232	0.2
345.18326	0.4
347.19958	0.2
349.21613	4.8
350.21976	0.5
359.20029	0.4
371.19891	0.4
395.23746	0.2
398.22015	0.2
399.23349	2.3
400.23630	0.3
405.21704	0.2
413.24881	2.1
414.24933	0.3
415.26437	0.2
423.23285	0.5
426.21835	0.2
431.25903	0.2
441.24286	3.5
442.24625	0.4
444.23239	0.3
459.25287	100.0
460.25656	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29275	0.4
53.03946	1.4
53.26785	0.4
55.01864	1.3
55.05508	5.2
55.14683	0.4
62.75843	0.4
65.03931	0.7
67.05502	6.0
69.03423	1.3
69.07053	1.1
69.57972	2.3
79.05491	4.7
79.11448	0.4
79.30815	0.4
81.07044	2.8
83.04481	0.8
83.04979	15.8
83.08583	0.5
91.05477	8.2
91.41280	0.4
93.07040	10.0
95.04975	1.7
95.08607	7.9
96.33001	0.4
97.06538	1.1
98.22630	0.8
103.05473	1.1
105.07033	8.5
106.32794	0.4
107.08598	4.8
109.02932	0.4
109.06522	1.2
109.10155	0.5
111.04449	6.9
111.08088	4.2
115.05463	1.8
116.06178	0.5
117.07022	3.5
119.08585	8.2
119.09443	0.6
119.12457	0.4
121.06523	2.1
121.10121	1.2
123.08071	1.6
125.05980	0.6
128.06198	4.3
129.07010	6.1
130.07758	0.9
131.05002	0.4
131.08560	5.7
133.06499	0.6
133.10129	5.6
135.08047	1.8
135.11641	0.4
137.06010	0.8
139.07538	1.8
141.06963	4.6
142.07793	3.7
143.08546	6.2
144.09319	1.2
144.19041	0.4
145.06509	1.4
145.10124	3.4
146.07323	0.6
147.08055	1.3
147.11720	2.0
149.09644	0.7
152.06221	1.8
153.06990	3.3
154.07779	5.3
155.08548	16.5
156.09340	2.9
157.06477	0.5
157.10135	5.1
158.07346	1.1
159.08073	2.8
159.11713	3.9
161.09608	1.6
165.07014	4.4
166.07791	1.6
167.08549	6.8
168.09363	2.4
169.06435	0.7
169.10129	11.7
170.10870	1.7
171.08078	1.1
171.11700	4.6
172.08832	1.4
173.09590	2.7
175.11224	1.3
178.07668	2.3
179.08566	7.9
180.09361	2.6
181.06444	1.0
181.10117	4.3
182.07271	0.8
182.10887	1.8
183.08147	0.8
183.11668	3.9
185.09584	2.0
185.13251	1.6
187.11209	4.4
189.06996	0.8
190.07736	0.6
191.08553	2.4
192.09355	4.5
193.10123	7.1
194.10898	3.4
195.08061	6.7
195.11668	5.7
196.08794	0.9
196.12436	1.1
197.09601	6.6
197.13289	2.2
199.11186	0.9
200.97141	0.5
201.09152	0.6
201.12695	0.5
202.07799	1.1
203.08580	2.5
204.09341	2.1
205.10092	4.6
205.11838	0.4
206.10889	5.1
207.08092	0.5
207.11687	10.7
208.08817	0.7
208.12427	2.3
209.09566	2.0
209.13246	4.6
210.10487	0.7
211.11183	1.5
211.14778	0.9
213.09198	0.6
213.12726	1.1
215.08582	2.0
215.10706	6.2
216.09340	2.6
216.11165	0.6
217.10069	4.5
218.10875	3.0
219.08272	0.7
219.11681	7.2
220.08922	0.6
220.12434	2.2
221.09624	1.1
221.13283	5.3
222.10362	0.8
222.13924	1.0
223.11203	1.7
223.14851	1.5
225.09192	0.9
225.12807	1.5
227.10637	0.4
227.14322	0.7
228.09431	1.5
229.10155	4.2
229.12184	0.7
230.10857	4.8
231.08081	0.7
231.11678	8.1
232.12424	3.2
233.09618	1.7
233.13197	4.9
234.10374	0.8
234.14029	1.4
235.11127	2.4
235.14757	2.4
236.15451	0.5
237.12761	2.3
239.08652	0.7
239.14362	1.0
241.10123	2.1
241.12280	0.7
242.10857	2.0
243.11652	5.2
243.13832	0.5
244.08832	0.8
244.10042	0.5
244.12408	4.7
245.09755	2.0
245.13246	7.6
245.15656	0.6
246.10359	1.0
246.14032	2.7
247.11192	2.4
247.14758	3.3
248.11952	0.8
248.15514	0.8
249.12703	2.1
249.16425	1.0
251.14389	0.9
253.10159	1.1
253.12265	1.8
254.10849	0.9
254.13295	0.5
255.11554	2.1
255.13934	3.9
256.12460	2.6
257.09637	1.0
257.13260	6.5
257.15479	0.6
258.10248	0.6
258.14084	3.4
259.11316	3.1
259.14789	6.5
260.11948	1.3
260.15540	2.1
261.09454	0.5
261.12805	2.4
261.16235	2.7
262.13495	0.5
263.10849	0.9
263.14377	1.4
263.18137	0.5
265.12277	1.6
265.16055	0.5
267.11697	0.6
267.13962	3.2
268.12439	1.1
269.09781	0.7
269.13266	2.1
270.10648	0.5
270.14023	2.8
271.11176	2.0
271.14835	5.6
272.12183	0.9
272.15591	2.8
273.12814	1.9
273.16367	5.7
274.13470	0.6
274.17136	1.6
275.10898	0.8
275.14435	2.0
275.17773	2.5
276.18829	0.5
277.12366	1.1
277.15894	1.2
277.19632	0.5
279.13828	1.0
281.12952	0.6
282.10468	0.5
282.14023	0.7
283.11267	0.6
283.14783	1.9
284.12228	1.0
284.15662	2.5
285.12811	2.5
285.16415	4.5
286.13550	1.9
286.17142	1.9
287.14334	3.0
287.17969	2.5
288.15076	0.7
288.18613	0.8
289.12296	1.3
289.15860	1.2
289.19400	0.9
290.12997	0.6
291.13803	1.4
291.17108	0.6
293.15671	0.5
294.14169	0.5
295.11414	0.5
295.14462	0.8
296.15472	0.5
297.12738	1.3
297.16440	1.0
298.13553	1.0
298.16888	1.0
299.14328	2.3
299.17969	4.2
300.15112	1.6
300.18747	2.4
301.15887	4.1
301.19547	2.9
302.13330	0.5
302.16690	1.6
302.20224	0.5
303.13791	1.9
303.17438	2.4
303.21094	1.3
304.14682	0.8
304.18161	0.7
305.15344	2.9
305.18915	0.8
309.12842	0.7
309.16437	1.4
311.14417	0.9
311.17847	0.9
312.14981	1.1
312.18414	0.5
313.15854	1.2
313.19211	0.8
314.16711	0.9
314.20328	1.5
315.17334	1.2
315.21057	1.8
316.14703	0.6
316.18301	0.7
316.21783	0.5
317.15372	1.6
317.18958	1.3
318.15967	0.9
319.17035	2.9
320.17828	0.6
321.18463	0.6
323.14258	0.6
325.15756	0.8
325.19250	0.7
326.16537	0.6
327.17361	4.4
328.18011	0.9
329.15366	0.7
329.18976	2.4
331.16919	1.7
331.20660	1.1
333.18695	0.9
337.15634	0.5
339.17444	0.5
341.19138	1.2
342.19830	2.5
345.18478	7.0
346.19110	0.5
347.20193	1.4
349.21548	0.8
351.17581	0.7
353.18936	0.7
357.18457	0.6
359.20145	1.5
360.20868	3.2
371.20090	0.8
383.20078	0.8
385.21533	0.6
395.23758	0.9
399.23514	2.8
413.24713	6.3
414.25107	0.6
415.26736	3.3
417.20486	0.8
423.23361	3.3
425.51657	0.4
431.25824	1.7
441.24228	26.7
442.24725	2.5
459.25284	100.0
460.25644	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2531
Annotation	Adenostin A
Peak:m/z	Relative Intensity
53.03939	0.7
55.05521	1.8
58.47002	0.3
65.03936	0.5
67.05512	2.7
69.07078	0.5
69.13342	2.7
71.04988	0.3
76.17608	0.3
79.05481	1.6
81.03412	0.3
81.07062	1.4
82.96736	0.3
83.04984	6.2
83.08621	0.4
85.06569	0.3
91.05471	2.8
93.07044	3.3
95.04960	0.9
95.08603	3.4
97.02901	0.7
97.06530	0.4
105.07042	3.4
107.08622	1.9
109.06535	0.8
109.10149	0.6
111.04432	2.9
111.08094	1.7
113.06038	0.4
117.06995	1.7
119.08568	2.4
119.67747	0.3
121.06517	0.6
121.10162	0.7
123.08086	0.9
127.84777	0.3
128.06255	1.2
129.06969	1.6
130.07741	0.4
131.08578	2.4
133.06555	0.5
133.10138	2.4
134.07292	0.3
141.07025	1.2
141.29474	0.3
142.07779	1.2
143.08569	2.4
144.09387	0.7
145.06468	0.5
145.10117	1.9
147.08028	0.6
147.11755	0.6
153.07024	0.9
154.07787	0.9
155.08556	15.0
156.09337	1.3
157.06505	0.6
157.10118	2.0
158.07265	0.5
159.08046	0.7
159.11681	1.6
161.09622	1.3
165.06992	2.2
166.07753	0.8
167.08574	3.2
168.09344	0.6
169.06569	0.3
169.10115	3.8
169.11351	0.4
170.10896	0.4
171.08067	0.8
171.11668	1.4
172.08774	0.4
173.09628	0.8
173.13216	0.4
175.11177	0.3
178.07878	0.6
179.08536	2.6
180.09335	0.9
181.10147	2.1
182.10956	0.5
183.07948	0.3
183.11740	1.1
185.09653	0.7
185.13359	0.5
187.11275	0.8
189.12778	0.5
191.08578	0.9
192.09357	2.4
193.10129	3.3
194.10925	1.7
195.08032	2.1
195.09959	0.5
195.11687	3.8
196.12364	0.4
197.09616	1.9
197.13332	0.9
199.11177	1.3
202.07788	0.4
203.08629	0.8
203.10675	0.7
204.09372	0.8
205.10098	2.5
205.26079	0.3
206.10931	1.8
207.08116	0.5
207.11705	5.3
208.12477	1.0
209.09720	0.6
209.13261	4.2
211.11125	0.5
211.14969	0.3
213.08960	0.4
213.12782	0.3
215.08688	0.6
215.10738	1.1
216.09320	0.9
217.10179	2.1
218.10931	1.1
219.11717	4.0
220.08833	0.3
220.12442	1.6
221.09737	0.6
221.13251	3.3
222.10378	0.5
222.13889	0.7
223.11385	0.4
223.14853	0.7
225.12756	0.6
227.08446	0.4
229.10164	1.5
230.10822	1.4
231.11688	3.1
231.13817	0.4
232.12456	1.5
233.09537	0.5
233.13242	2.6
234.14006	0.9
235.11111	0.7
235.14897	0.8
237.12810	0.9
241.10016	0.4
242.10941	0.8
243.11678	2.9
244.08902	0.5
244.12503	2.0
245.09514	0.5
245.10541	0.3
245.13237	5.5
245.15657	0.4
246.10381	0.3
246.13963	1.3
247.11211	0.6
247.14917	1.6
248.15622	0.4
249.12831	0.9
249.16519	0.5
251.14465	0.4
252.11533	0.6
253.12311	1.1
255.11549	0.4
255.13832	5.7
256.12363	0.5
257.09647	0.3
257.10715	0.3
257.13242	2.3
258.14087	2.2
259.11502	1.4
259.14804	3.7
260.11993	0.3
260.15518	1.6
261.12894	1.0
261.16443	1.1
263.14258	0.6
265.12256	0.6
267.13815	5.2
269.13129	1.4
270.14020	0.9
271.11856	0.4
271.14746	2.3
272.15665	1.6
273.12949	0.6
273.16391	2.3
274.13513	0.5
274.17044	1.0
275.14478	0.6
275.18024	1.1
276.18640	0.3
277.12625	0.5
277.15756	0.5
281.13034	0.4
281.15738	0.4
283.14719	0.7
284.15588	0.9
285.12823	0.8
285.16428	2.4
286.13654	0.6
286.17151	1.2
287.14365	1.0
287.17963	1.5
289.12375	0.4
289.15866	0.5
289.19452	0.4
291.13797	0.7
297.16382	0.6
299.14575	0.7
299.17990	1.8
300.15137	0.5
300.18643	1.1
301.16083	0.7
301.19550	1.0
303.13815	1.1
303.17337	0.6
303.20972	0.6
304.14667	0.7
305.15411	1.6
311.17944	0.5
313.15912	0.4
313.19409	0.5
314.20163	0.5
315.13736	0.3
315.21008	1.1
316.18106	0.4
316.21860	0.5
317.15298	0.9
317.18759	0.5
318.16211	0.8
319.16971	1.9
320.17603	0.7
321.18729	0.6
327.17590	0.9
329.19208	0.6
330.16071	0.4
331.16919	1.3
331.20633	1.1
333.18478	0.9
341.18964	0.4
342.19519	0.5
345.18457	3.6
345.22275	0.4
347.20013	0.8
348.20877	0.4
349.21646	0.9
359.19992	1.1
360.20908	1.2
361.21451	0.5
371.20142	0.3
395.23624	0.6
399.23062	1.0
413.24753	3.6
415.26379	1.5
423.23126	0.9
428.09879	0.3
431.25693	3.0
432.56628	0.4
441.24249	6.6
442.24606	0.8
459.25302	100.0
460.25687	12.4
460.32370	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55591	1.1
53.03936	3.2
55.01868	5.5
55.05512	12.4
57.03429	1.8
57.99844	1.0
59.04955	1.0
65.03925	2.6
67.05183	1.4
67.05507	21.9
69.03435	4.9
69.06298	9.2
69.07056	4.4
69.87617	1.1
71.04992	1.8
71.64986	1.0
77.03977	1.0
79.05061	1.2
79.05489	15.0
81.03418	20.8
81.07058	15.5
82.24545	1.0
83.04976	10.6
83.08615	6.7
85.06532	1.1
91.05482	23.5
93.07047	28.1
95.04967	14.7
95.08614	19.0
97.06513	4.2
97.10183	5.1
98.23295	2.4
105.04494	1.1
105.07025	21.5
107.04961	5.9
107.08590	12.0
109.06506	4.6
109.10152	5.0
111.04424	4.4
111.08083	10.7
115.05454	2.1
117.06992	7.1
119.04937	1.9
119.08597	14.4
121.05722	1.4
121.06493	11.3
121.10136	5.3
123.04388	1.6
123.08056	6.2
123.11711	1.2
125.09618	3.9
128.06238	5.0
129.06985	9.8
130.07846	1.4
131.04926	1.7
131.08577	12.1
133.06508	4.9
133.09203	1.4
133.10124	13.5
135.08049	6.4
135.11659	2.2
137.05928	2.1
137.09613	1.7
139.07521	2.9
141.06966	5.2
142.07805	5.9
143.08568	10.7
145.06490	8.2
145.10135	7.5
146.07263	2.1
147.08049	7.3
147.11691	5.3
149.09622	2.9
151.07570	7.0
152.06157	1.5
153.07001	2.6
154.07710	2.3
155.08539	11.3
156.09262	3.4
157.06544	5.3
157.10133	11.2
158.07231	1.6
158.10710	1.1
159.08057	6.9
159.11668	3.5
160.08807	1.1
161.05948	1.7
161.09610	18.1
163.07509	2.1
163.11156	3.9
165.06953	5.2
165.09126	3.1
166.07817	1.5
167.08551	6.4
168.09348	1.3
169.06458	2.3
169.10110	10.0
170.10712	1.2
171.08064	5.0
171.11731	7.5
173.09615	5.3
173.13284	1.2
175.07539	2.7
175.11214	7.2
177.09045	3.0
178.07774	1.3
179.08528	9.0
179.10472	1.5
180.09247	3.6
181.06430	2.6
181.10106	8.1
182.07275	1.4
182.10797	2.4
183.07990	2.9
183.11681	3.5
184.08765	2.2
185.09644	5.1
185.13261	2.0
187.07524	1.3
187.11157	4.1
189.09097	6.8
189.11151	2.1
190.07777	1.2
191.08545	2.5
191.10674	2.4
192.09314	3.4
193.10109	8.7
193.12213	7.4
194.07146	1.6
194.10803	3.9
195.08044	6.6
195.11647	8.8
196.08809	1.1
197.09564	7.0
197.13284	5.3
198.10330	1.2
199.11179	12.2
201.12726	1.7
202.07626	2.0
203.08556	3.0
203.10643	18.7
204.09245	1.9
205.10129	5.6
205.11940	1.3
206.10860	4.9
207.08015	2.9
207.11647	8.1
208.08813	1.8
208.12344	2.4
209.09549	7.0
209.13214	5.4
210.10233	1.4
211.11148	4.0
211.14809	4.2
213.12744	3.2
215.08661	1.9
215.10596	2.5
215.14369	2.4
216.09322	1.6
217.10036	3.4
217.12062	1.4
218.10843	2.4
219.11722	8.3
220.12433	2.4
221.09642	4.8
221.13304	5.6
222.10271	3.9
223.11317	5.9
223.14819	2.9
224.11748	1.0
225.12711	2.9
229.10114	3.6
230.10881	3.1
231.08061	1.7
231.11716	5.4
232.08714	1.7
232.12404	2.3
233.09543	3.0
233.13197	6.7
234.10423	1.4
234.13875	1.3
235.11124	4.7
235.14801	4.2
236.11926	3.0
236.15390	1.4
237.08894	1.1
237.12794	11.3
238.13121	1.5
239.14297	9.3
241.12100	3.8
243.11642	4.3
243.13834	1.4
244.12366	3.6
245.09535	3.2
245.13358	6.5
246.10397	2.5
246.13939	3.2
247.11084	4.6
247.14838	2.6
248.12027	2.3
248.15407	1.5
249.12650	5.8
251.10538	1.0
251.14299	8.9
255.11461	1.5
255.13863	2.3
257.13126	4.0
258.13892	1.4
259.11142	4.4
259.14844	6.5
260.12006	1.9
260.15436	2.9
261.12708	5.3
261.16312	3.5
262.13406	1.8
262.16635	1.2
263.10782	1.4
263.14273	9.6
265.15756	2.3
269.13074	1.7
270.13690	1.1
271.11264	2.6
271.14749	3.2
272.11920	1.4
272.15674	1.4
273.12473	1.5
273.14911	2.0
275.10800	1.0
275.14258	4.6
275.17963	3.3
276.15094	1.1
277.12677	1.9
277.15823	4.8
278.13333	1.0
279.13962	2.5
283.14584	1.7
285.12817	2.4
285.16272	2.9
287.14178	3.6
287.17746	1.9
289.15900	5.0
291.17435	2.1
298.16986	1.1
299.14206	2.2
299.17935	1.7
300.15018	1.3
301.12274	1.6
301.15820	3.4
302.16388	1.9
303.13983	2.2
303.17352	6.1
304.14453	1.3
304.17889	1.7
305.15274	4.4
305.18491	1.3
311.14523	1.3
313.19458	1.2
315.17365	1.9
317.15372	2.2
317.18988	3.4
318.16052	1.3
319.16724	4.3
320.17621	2.8
321.18402	3.7
321.22061	1.2
327.17291	3.4
329.18915	1.8
331.20413	4.0
339.17429	1.7
339.23123	2.0
341.18976	1.3
342.19781	1.9
345.18427	4.0
347.20212	2.4
349.21460	4.4
353.18796	1.3
359.20047	2.7
360.20767	1.5
367.22754	8.5
381.22269	2.4
385.23724	9.7
395.23654	3.6
399.23135	4.4
403.25250	2.6
413.24844	7.0
417.24396	10.0
418.24689	1.3
423.23056	12.8
424.23486	2.1
431.20114	2.0
431.25818	30.5
432.25876	2.0
441.24219	37.6
442.24664	5.0
459.25345	100.0
460.25470	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32068	1.1
55.01871	1.5
55.05510	2.1
57.81689	1.5
60.93687	1.5
67.05489	3.8
69.03439	3.2
69.07085	2.0
70.47358	1.2
71.04999	1.8
79.05509	3.3
81.07068	2.7
83.04964	2.9
87.04451	1.3
91.05486	9.2
93.07063	5.3
95.04957	2.3
95.08595	5.1
105.07031	9.5
107.08579	3.8
109.06557	2.0
111.04424	1.5
111.08109	1.4
113.47275	1.4
115.05448	2.3
117.07002	6.0
119.08575	5.7
121.10097	1.9
128.06210	5.7
129.07030	8.4
130.07829	1.7
131.08577	8.0
133.06483	2.6
133.10117	5.6
135.08038	2.9
141.06964	3.8
142.07768	8.4
143.08574	11.9
144.09274	2.1
145.06491	3.6
145.10112	9.3
146.07307	1.7
147.08075	1.9
147.11707	4.7
153.06984	3.3
155.08542	11.5
156.09305	5.2
157.06450	2.2
157.10126	15.6
159.08064	4.4
159.11699	4.0
160.08855	1.5
161.09605	3.8
165.07016	7.5
166.07837	2.6
167.08568	6.1
168.09279	2.7
169.10144	9.5
171.01038	1.4
171.08061	9.5
171.11681	13.5
172.08728	1.8
172.12170	1.5
173.09622	5.4
173.13184	3.1
175.11211	17.5
179.08545	6.7
180.09363	3.1
181.10036	8.3
182.10854	2.3
183.08038	2.6
183.11671	4.1
184.08670	1.4
185.09627	10.8
185.13237	3.0
187.11168	4.7
189.09145	2.7
192.09344	4.1
193.10104	6.3
194.10817	3.2
195.08086	2.5
195.11705	11.8
196.12148	2.5
197.09674	7.2
197.11447	1.3
197.13324	5.7
199.11218	7.1
203.10661	1.9
205.10147	2.6
206.11006	4.0
207.11664	11.7
208.12479	2.0
209.09671	3.1
209.13220	11.2
210.10275	1.7
211.11131	4.8
211.14799	2.3
213.12743	4.4
217.10165	1.7
217.12242	3.9
219.11687	3.6
220.12390	1.8
221.09744	1.4
221.13303	8.8
222.10431	1.5
223.11270	7.9
223.14706	2.8
224.11855	1.5
225.12709	6.5
230.10806	1.5
231.11610	3.6
232.12433	3.1
233.13231	3.1
235.11131	2.7
237.12749	7.7
239.14326	4.2
241.10106	2.1
241.12294	4.2
243.11656	3.6
244.12393	3.1
245.13254	3.8
246.13808	2.0
247.11171	2.6
247.14758	3.1
249.12675	2.4
251.14177	2.3
253.12302	4.6
255.13797	2.8
256.12582	1.4
257.13132	2.7
259.14801	4.0
261.16336	1.4
263.14368	1.7
267.13885	6.2
271.14734	2.8
273.12967	1.3
273.16495	2.2
283.14929	2.0
285.15704	1.5
287.14246	2.1
287.17569	1.4
295.14804	1.9
297.15976	2.0
299.17746	3.4
301.16055	2.8
301.19418	3.3
305.15512	1.5
309.13135	1.6
311.14377	2.6
315.17477	1.4
315.21078	2.1
342.19623	1.5
343.20551	3.5
345.18701	1.7
349.21844	1.7
353.18903	3.1
361.21588	3.1
371.20102	2.4
381.22141	1.7
383.19855	2.3
389.21326	1.4
395.23770	2.6
399.23254	5.9
405.22208	5.1
413.24738	100.0
414.25180	21.4
417.24341	3.5
423.23349	12.8
431.25793	5.2
441.24252	38.9
442.24808	10.0
459.25256	75.8
460.25549	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
53.49897	0.3
55.01861	0.9
55.05510	4.0
55.65710	0.4
57.03442	0.4
59.98976	0.4
65.03928	0.9
67.05213	0.5
67.05508	4.7
69.03432	1.2
69.07062	1.2
69.17887	0.6
69.18283	2.6
70.04397	0.4
71.57680	0.4
72.16917	0.3
79.05482	3.0
81.07061	4.1
83.04984	12.0
84.56439	0.4
91.05478	6.2
93.07040	7.6
95.04957	1.6
95.08607	8.7
97.06526	0.9
103.05481	0.7
105.04551	0.5
105.07032	7.5
107.04948	0.7
107.08579	3.9
107.32342	0.4
109.06508	1.4
109.10158	0.8
111.04440	5.2
111.08115	2.9
113.05978	0.4
115.05434	1.2
116.06223	0.6
117.07014	3.0
119.08567	5.5
121.06506	1.6
121.10140	1.8
121.75887	0.4
123.08089	1.4
128.06209	2.6
129.07033	3.8
130.07823	1.2
131.08560	5.3
133.10135	4.2
135.08049	1.9
137.05977	1.6
139.07564	1.5
141.06975	3.8
142.07803	2.4
143.08553	5.2
144.09297	0.7
145.06479	1.6
145.10139	4.1
147.08047	1.8
147.11710	1.7
149.06079	0.4
151.07536	0.5
152.06187	0.6
153.06992	2.2
154.07794	3.0
155.08551	12.2
155.09816	0.6
156.09375	3.3
157.06540	0.8
157.10150	4.5
158.07271	0.5
159.08020	2.0
159.11668	2.4
161.09627	1.9
161.13309	0.6
165.06996	3.1
166.07773	1.3
167.08553	5.1
168.09291	1.4
169.06531	0.6
169.08688	0.7
169.10123	9.5
170.10805	1.3
171.08035	1.1
171.11690	4.7
171.63820	0.4
172.08815	1.0
173.09561	2.0
175.07532	0.5
175.11156	1.3
178.07796	1.7
179.08566	5.2
180.09288	2.0
181.10109	4.5
182.10834	1.2
183.08066	0.6
183.11693	2.5
184.12520	0.5
185.09618	1.2
185.13310	1.3
187.07626	0.4
187.11201	2.4
189.06966	0.5
189.12752	0.6
190.07822	0.6
191.08572	1.9
191.10658	0.8
192.09312	4.6
193.10115	5.4
194.10875	2.6
195.08047	4.8
195.11682	4.6
196.12366	1.4
197.09619	5.2
197.11322	0.6
197.13271	2.1
199.11142	0.8
201.12714	0.6
202.07816	0.9
203.08539	2.1
204.09332	1.8
205.10243	4.0
205.12105	0.8
206.10933	4.2
207.08174	0.7
207.11682	9.2
208.12390	1.6
209.09616	1.3
209.13243	4.0
210.10327	0.7
211.11194	1.3
211.14803	0.5
213.09116	1.5
213.12694	0.4
215.08583	1.8
215.10707	4.9
216.09288	2.1
217.10136	4.0
217.12119	0.7
218.10951	2.7
219.08131	0.5
219.11687	6.5
220.12326	2.7
221.09761	1.0
221.13251	5.2
222.14024	1.0
223.11255	1.4
223.14839	1.7
224.11841	0.6
225.09074	0.6
225.12701	1.2
227.10780	0.8
227.14386	0.8
228.09326	0.9
229.10066	4.2
229.11909	0.5
230.10939	3.6
231.08127	0.9
231.11676	5.3
232.12395	2.3
233.09607	1.1
233.13271	3.8
234.10384	0.9
234.14001	1.3
235.11232	1.8
235.14780	2.2
236.11926	0.6
236.15378	0.4
237.09085	0.5
237.12755	1.8
239.14299	0.5
241.10161	0.8
241.12378	0.5
242.10960	1.1
243.11682	5.7
243.13918	0.8
244.08798	0.5
244.12474	3.5
245.09589	1.2
245.13239	6.8
245.25905	0.4
246.10376	1.0
246.14003	1.9
247.11163	2.4
247.14838	2.2
248.11963	0.6
249.12686	1.6
249.16399	1.2
251.14365	0.5
252.11540	0.9
253.12254	1.8
254.13094	0.8
255.11575	1.4
255.13855	3.5
256.12473	1.5
257.09604	0.6
257.10721	0.5
257.13235	4.6
258.10443	0.8
258.14011	4.0
259.11227	1.6
259.14828	6.8
260.11920	0.8
260.15582	2.6
261.08832	0.5
261.12808	2.1
261.16473	2.5
263.10696	1.1
263.14346	1.3
263.18015	0.6
265.12280	2.2
267.13943	3.2
268.12357	0.9
269.09369	0.7
269.13193	2.4
270.10388	1.2
270.14078	1.9
271.11246	1.1
271.14832	3.4
272.11932	1.6
272.15643	1.9
273.12885	1.5
273.16406	5.2
274.14117	0.5
274.17133	1.8
275.11441	0.4
275.14343	1.9
275.17975	3.0
276.11505	0.6
276.18616	0.6
277.12302	1.2
277.15970	0.8
281.13141	0.8
282.13962	0.8
283.11319	0.5
283.14819	1.6
284.12317	0.6
284.15579	1.8
285.12823	2.4
285.16409	4.9
286.13593	1.4
286.17117	1.4
287.14633	2.7
287.17542	2.6
288.15073	0.5
288.18542	0.6
289.12259	1.3
289.15811	1.1
289.19489	0.8
291.13757	1.2
291.17255	0.5
293.15475	0.5
294.14105	0.6
297.12750	0.9
297.16110	0.5
298.13559	0.7
298.16995	0.7
299.14337	1.6
299.17941	4.4
300.15009	1.3
300.18652	1.2
301.15857	3.5
301.19476	2.3
302.16614	1.2
303.13800	1.7
303.17435	2.1
303.21057	1.4
304.14621	0.9
305.15536	2.6
309.16324	1.0
311.14294	0.8
311.17923	0.7
312.15054	0.5
313.15790	1.2
313.19574	1.5
314.16605	1.1
314.20358	1.3
315.17401	1.3
315.21100	1.8
317.15341	1.3
317.18948	0.6
318.16260	0.5
319.16870	3.5
320.17621	1.3
321.18579	0.8
323.17984	0.7
325.15811	0.8
325.19418	0.6
327.17410	3.3
328.18030	0.8
329.19003	1.8
331.16898	1.2
331.20508	0.8
333.18448	1.0
337.16040	0.6
341.18851	0.8
342.19852	2.9
345.18460	5.1
347.20135	0.9
349.21521	0.8
351.17639	0.5
359.20041	1.4
360.20892	2.8
366.19827	0.6
395.23743	1.5
399.23468	2.7
408.20651	0.5
413.24762	8.1
414.25128	1.1
415.26624	3.6
416.26877	0.7
423.23315	3.3
431.26053	1.0
441.24234	30.0
442.24689	3.6
459.25299	100.0
460.25653	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2529
Annotation	3'-Prenylrubranine
Peak:m/z	Relative Intensity
52.21886	0.6
55.01887	0.8
55.05502	1.5
59.05018	1.0
60.46132	0.6
65.03880	0.7
67.05504	1.9
69.03440	3.1
69.07066	1.7
73.39022	0.6
79.05500	1.4
81.07056	1.9
83.04990	1.4
85.82220	0.6
87.04487	1.5
88.60608	0.6
91.05482	4.0
93.07031	3.3
95.04987	1.0
95.08602	2.6
98.22646	1.7
105.07042	4.7
105.39360	0.7
107.08591	3.0
109.06513	0.8
109.10137	1.4
111.04444	0.8
111.08088	1.0
115.05453	1.3
117.07054	3.6
119.08584	4.3
121.06459	1.2
121.10136	1.7
126.53611	0.6
128.06259	2.0
129.07010	3.1
130.07805	0.7
131.08569	2.5
133.06482	1.5
133.10144	2.5
137.06042	0.8
141.07037	2.0
142.07794	2.7
143.08578	6.0
145.06525	1.4
145.10156	4.0
147.08046	2.1
147.11673	1.5
153.05466	4.1
153.06981	1.3
154.07870	0.9
155.08556	8.1
156.09277	0.8
157.06480	0.8
157.10124	4.6
159.08073	1.2
159.11708	3.3
161.09645	1.4
163.11284	0.6
165.06990	4.8
165.09131	0.8
166.07500	0.7
167.08542	3.1
168.09337	1.2
169.10133	5.0
171.08092	1.8
171.11682	2.5
173.09666	2.6
175.11246	1.8
178.07785	0.9
179.08609	3.0
180.09358	2.8
181.10110	4.3
182.10883	1.1
183.11740	3.2
185.09621	1.2
185.13275	1.1
187.11218	1.0
190.07880	0.8
191.08650	1.1
191.10692	1.8
192.09357	2.0
193.10152	4.8
194.10904	2.3
195.08075	1.4
195.11658	7.6
196.12288	0.7
197.09639	1.6
197.13293	1.5
199.11211	1.9
203.08626	1.2
203.10667	1.1
204.09346	1.3
205.10144	2.9
206.10907	2.1
207.11714	9.6
208.08870	2.8
208.12294	1.4
209.13222	3.4
211.11093	0.9
213.12808	2.4
215.08658	1.1
216.09381	1.5
217.10179	2.1
217.12201	1.2
218.10858	1.6
219.11700	4.0
220.12289	1.2
221.09644	2.3
221.13162	6.3
222.13919	1.1
223.11185	12.3
223.13026	0.4
224.11546	0.9
225.12683	1.1
229.10161	1.4
230.10878	2.4
231.11673	2.8
231.13756	0.8
232.12498	2.3
233.13293	1.8
234.14012	1.0
235.11165	1.4
237.12798	2.7
239.10667	2.0
241.12276	0.8
242.11008	1.1
243.11653	1.9
243.13905	0.8
244.12433	2.5
245.09525	0.8
245.13243	3.9
246.14023	1.3
247.11247	1.2
247.14766	3.0
248.15477	0.7
249.12766	1.3
249.16412	1.2
252.11472	0.9
253.12267	3.2
255.11465	0.8
255.13805	1.8
256.12393	1.0
257.13269	3.4
259.14792	3.5
261.12790	1.5
261.16302	0.8
263.14304	1.6
267.13867	7.4
269.13208	1.2
271.14810	1.9
272.15729	0.7
273.16370	2.0
275.14243	3.2
277.15826	1.4
283.14749	1.8
284.15567	0.9
285.16336	1.2
287.14304	2.6
287.17798	0.9
289.16177	0.9
289.19583	1.9
293.15637	3.6
295.17184	0.9
297.16364	1.0
299.17892	1.1
301.15854	1.2
301.19400	1.1
303.13855	0.8
303.20773	0.7
305.15475	2.0
311.14240	1.1
319.17087	1.5
335.18015	0.9
343.20520	1.1
345.18521	1.2
349.21872	3.6
360.20844	1.0
361.21576	1.1
375.23587	0.8
377.22632	1.0
395.23822	2.5
399.23547	1.2
405.22049	2.3
413.24841	8.3
415.21375	1.1
415.26532	1.1
423.23181	7.8
426.21976	2.8
441.24222	30.0
442.24716	3.0
444.22949	2.4
459.25302	100.0
460.25540	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2528
Annotation	Adenostin A
Peak:m/z	Relative Intensity
50.04401	0.4
53.03927	0.8
55.01884	0.6
55.05508	3.3
57.03419	0.4
57.07075	0.7
67.05497	4.0
68.05840	0.4
69.03423	0.4
69.07070	2.0
69.07374	0.3
70.56211	0.8
79.05497	2.4
81.07060	4.8
83.04972	5.7
83.08607	1.2
85.06535	0.7
91.05475	3.7
93.07044	6.1
95.04982	0.8
95.08603	8.9
96.08865	0.4
97.06528	0.4
97.10193	0.6
99.08083	0.5
105.07029	4.5
107.08591	4.9
109.06516	1.2
109.10137	3.9
111.04427	2.6
111.08102	2.1
117.06994	1.5
119.08572	4.2
119.09344	0.6
120.08958	0.4
120.47356	0.4
121.06492	1.1
121.10116	3.0
123.08076	0.9
123.11668	1.9
125.09650	0.4
128.06244	0.8
129.07001	2.2
130.89655	0.4
131.08568	3.2
133.10112	2.9
135.08078	0.7
135.11691	1.8
137.05992	0.4
137.09584	0.6
137.13271	0.7
138.45688	0.3
139.07574	0.6
141.06979	1.3
142.07791	0.7
143.08597	1.9
144.09306	0.8
145.10097	2.2
147.11703	1.5
149.09645	0.8
149.13286	1.2
153.06999	0.5
154.07762	1.0
155.08565	6.6
156.09305	1.3
157.10146	1.7
159.07942	0.4
159.11632	1.9
161.09618	1.1
161.13272	1.0
165.06944	1.9
166.07707	0.4
167.08479	1.9
168.09331	0.6
169.10167	4.7
170.10867	0.7
171.11668	1.6
172.08856	0.5
173.09605	1.6
175.11090	0.5
175.14870	0.5
177.12839	0.4
177.16362	0.5
178.07787	0.5
179.08536	2.0
180.09360	1.7
181.10071	1.3
182.10934	0.6
183.11644	1.9
185.13304	0.6
187.11087	1.0
187.14754	0.4
189.16188	0.4
191.08546	0.8
192.09329	1.8
193.10103	3.3
194.10861	1.3
195.08015	1.1
195.11670	5.6
195.13359	0.6
196.12347	0.6
197.09639	1.6
197.13312	0.9
199.11252	0.5
201.16394	0.6
203.08629	0.6
203.17929	0.5
204.09340	0.8
205.10130	1.8
206.10880	1.4
207.11673	4.3
208.12302	0.8
209.13289	1.0
213.09088	0.8
215.08551	1.5
215.10683	1.3
216.09415	1.5
217.10129	1.9
218.10847	1.2
219.11723	3.2
220.12479	1.1
221.13322	2.0
223.11172	0.7
223.14854	0.5
225.12798	0.6
228.09271	0.5
229.10091	2.1
230.10838	2.6
231.11661	4.0
232.12448	2.2
233.09749	0.5
233.13243	2.2
235.14874	0.6
242.10873	1.1
243.11649	3.6
244.12408	3.7
245.09627	0.4
245.13260	7.0
246.13919	2.0
247.14842	2.4
248.15468	0.4
253.12431	0.6
255.11555	0.7
255.13817	1.3
256.12424	1.0
257.13248	4.6
258.13922	3.2
259.11679	0.7
259.14777	7.6
259.17303	0.7
260.15436	1.4
261.12732	0.5
261.16391	1.5
267.13892	2.3
269.13290	1.4
270.14008	1.7
271.14810	2.9
272.15594	3.1
273.16394	2.9
274.17114	0.8
275.10794	0.5
275.14359	0.5
275.17770	0.6
277.12268	0.5
283.14859	1.1
284.15506	1.2
285.16364	4.6
286.16980	1.2
287.14758	0.7
287.17960	2.8
288.18430	0.6
291.13693	0.5
293.15579	0.5
296.15384	0.8
297.16351	0.6
298.17056	0.5
299.14648	0.7
299.18008	1.6
300.18750	1.2
301.16312	0.7
301.19583	1.8
303.13788	0.9
303.17368	0.6
304.14615	0.6
305.15372	1.7
309.16266	0.8
311.17703	0.5
313.19717	0.5
315.17465	0.5
317.15424	1.2
318.16092	0.9
319.16864	1.9
327.17474	1.0
331.16907	1.1
332.17673	0.9
333.18500	0.7
345.18475	4.5
347.20160	1.2
359.20026	0.6
360.20834	1.6
399.23260	1.2
413.24719	2.0
423.23038	0.6
423.36075	0.6
441.24265	3.4
441.37274	1.4
442.24469	0.6
459.25287	100.0
460.25638	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2529
Annotation	Adenostin A
Peak:m/z	Relative Intensity
50.77147	0.3
53.78943	0.4
55.05515	1.9
67.05508	2.3
69.05149	1.5
69.05579	2.1
69.07053	1.1
79.05486	1.4
81.07059	2.2
83.04982	5.6
91.05476	2.6
93.07047	4.3
95.04979	0.4
95.08609	3.5
98.22979	2.0
105.07025	4.0
107.08588	2.3
109.00902	0.4
109.01640	0.3
109.10146	0.8
111.04442	2.2
111.08073	1.1
115.05490	0.7
117.07010	1.0
119.08577	2.9
121.06505	0.7
121.10142	0.6
123.08078	0.5
123.11716	0.5
128.06230	1.0
129.07002	1.5
131.08569	1.9
133.10103	2.1
139.93170	0.4
141.06985	1.4
142.07828	0.9
143.08562	1.9
144.09326	0.6
145.10103	1.1
147.11671	0.5
153.06966	1.2
154.07790	0.7
155.08556	6.9
156.09323	0.5
157.10130	1.5
158.10863	0.4
159.08014	0.5
159.11711	1.1
161.09671	0.5
165.06956	2.8
165.09077	0.8
166.07774	1.1
167.07056	1.2
167.08624	1.6
168.09340	0.5
169.10101	3.1
171.11700	1.0
173.09634	0.7
178.07767	0.7
179.08569	2.2
180.09341	2.2
181.10101	1.8
183.11710	1.6
187.11162	0.7
190.07692	0.4
191.08699	0.7
192.09315	2.2
193.10173	2.9
194.10947	1.4
195.08064	1.1
195.11691	8.0
195.13351	0.7
196.12222	0.7
197.09593	0.9
197.13228	0.8
199.11154	0.5
201.08983	0.4
203.08589	0.8
203.10460	0.4
204.09433	0.8
205.10133	1.3
206.10956	1.6
207.11714	3.3
208.12474	0.8
209.13264	1.6
211.11227	0.6
211.14880	0.4
215.08556	1.3
215.10704	1.2
216.09361	1.2
217.10069	2.0
218.10803	0.7
219.11647	2.8
220.12561	0.6
221.13269	1.7
229.10201	2.0
230.10805	2.2
231.11705	3.6
232.12383	1.5
233.13284	2.4
234.13994	0.5
235.14871	0.6
237.12819	0.5
240.47252	0.4
241.09978	0.5
242.01004	0.5
242.10841	1.5
243.11655	3.2
244.12404	2.7
245.13254	4.5
246.13916	1.2
247.14812	1.8
249.12718	1.1
255.11604	1.1
255.13876	1.6
256.12402	0.7
257.13242	3.0
258.14075	2.2
259.10999	0.6
259.14862	4.7
260.15558	1.1
261.16406	1.4
265.12314	0.7
267.13916	2.3
269.13364	0.9
270.13953	1.1
271.14853	2.5
272.12708	0.4
272.15463	2.2
273.13647	0.5
273.16345	2.8
275.14426	0.5
275.17776	0.6
279.13696	0.7
281.13266	0.5
283.14795	0.7
284.15704	0.7
285.13177	0.7
285.16257	3.4
286.16974	1.0
287.17902	1.6
289.19540	0.6
298.17163	0.6
299.14636	0.5
299.17834	1.9
300.18881	0.5
301.15881	0.5
301.19327	0.9
303.13782	0.8
305.15411	1.0
309.16403	0.5
315.17401	0.5
315.20880	0.5
317.15314	0.6
318.16287	0.5
319.16895	1.3
327.17468	1.0
331.16901	1.0
333.18738	0.5
342.19611	0.6
345.18521	2.3
347.19879	1.1
349.21594	0.5
350.08139	0.4
359.20126	0.8
360.20938	1.1
361.21188	0.5
399.23077	1.2
401.24554	3.0
413.24832	1.2
415.26294	1.3
431.25644	0.9
441.24393	3.6
459.25272	100.0
460.25598	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
55.01867	3.9
55.05513	13.8
57.03426	1.2
57.07070	0.7
65.03913	1.8
67.05504	17.0
69.03411	2.5
69.07059	4.3
69.09280	6.2
71.04959	1.5
79.05068	1.2
79.05490	16.1
81.02995	0.9
81.03420	16.4
81.07056	15.0
83.04547	1.0
83.04989	11.7
83.08619	7.6
83.76270	0.7
85.06528	1.7
91.04968	1.1
91.05486	17.2
93.07042	13.9
94.07364	0.7
95.04972	10.1
95.08609	11.0
97.06508	2.3
97.10168	6.4
98.23354	1.5
103.05412	1.3
105.04498	1.0
105.07037	13.0
107.04951	7.6
107.08590	10.2
109.06522	3.8
109.10152	3.9
111.04441	4.5
111.08078	4.9
113.06017	0.8
115.05439	2.2
117.07023	6.1
119.08577	11.1
121.06507	6.5
121.10104	3.9
123.04387	1.2
123.08076	3.7
123.11647	0.8
125.09599	4.2
128.06198	2.9
129.06276	0.7
129.07019	7.9
131.04927	2.7
131.08577	10.8
133.06487	3.2
133.10127	7.2
135.08037	4.1
135.11674	0.9
137.05923	1.9
137.09631	1.2
139.07497	0.8
141.06972	3.7
141.11465	0.6
142.07776	4.1
143.08586	6.0
144.05679	1.1
145.06511	9.4
145.10127	4.9
147.04478	1.0
147.08078	4.0
147.11688	5.0
149.06009	1.2
149.09586	2.2
151.07581	1.1
153.06984	1.8
153.09084	2.2
154.07756	2.8
155.08554	15.7
156.09219	2.7
157.06476	3.1
157.10110	6.5
159.08070	4.2
159.11711	3.8
161.05969	1.9
161.09656	4.6
161.13210	0.9
163.11107	1.9
165.06958	3.0
165.09013	1.0
165.12733	0.7
166.07755	0.9
167.07274	1.1
167.08513	4.9
168.09311	2.0
169.06482	1.7
169.10130	8.0
171.08073	4.7
171.10269	1.1
171.11647	4.6
172.08617	0.7
173.09631	4.7
173.13159	0.8
175.11179	3.5
178.07747	1.6
178.20604	0.8
179.08580	4.7
180.09329	1.8
181.06442	0.8
181.10141	3.7
182.10831	0.8
183.08044	1.7
183.11632	2.2
185.09554	2.4
185.13263	1.2
187.11272	3.4
189.09109	1.7
189.11165	2.9
189.12762	1.8
191.08495	1.0
192.09317	7.2
193.10069	3.9
193.12207	9.9
194.10831	1.9
195.08093	3.4
195.11670	6.0
197.09615	6.7
197.13203	3.2
199.11174	3.4
199.14822	1.2
201.09082	0.8
203.08618	1.3
203.10614	2.0
204.09285	1.8
205.10075	4.1
205.12056	1.3
206.10895	4.2
207.09860	0.7
207.11711	10.2
208.08778	0.7
208.12282	1.6
209.09605	1.3
209.13200	4.5
210.10255	0.8
211.11221	1.7
211.14792	1.2
213.09052	1.0
213.12697	2.5
215.08685	1.1
215.10637	5.7
215.14276	1.4
216.09286	2.2
217.10065	2.9
217.12032	0.8
218.10828	1.7
219.11732	5.8
220.12427	3.5
221.09615	1.4
221.13203	4.4
223.11131	2.0
223.14888	1.2
225.12701	1.7
227.14247	1.3
229.10204	1.6
230.10907	1.6
231.11649	4.7
231.13655	1.1
232.08647	1.1
232.12367	2.3
233.09592	1.5
233.13194	3.4
233.15343	1.7
235.11079	2.7
235.14812	2.1
237.12721	3.0
239.14227	1.9
243.11552	4.5
243.13850	1.5
244.12334	3.1
245.09506	1.0
245.13274	4.9
245.15434	1.1
246.13878	1.4
247.11124	1.6
247.14856	3.6
249.12633	2.1
251.14291	0.9
253.12234	2.6
255.11481	0.7
255.13844	5.4
256.12375	0.8
257.13242	4.0
258.13879	2.3
259.11166	1.9
259.14847	5.1
260.15460	2.3
261.12653	2.1
261.16284	2.0
263.14288	2.4
265.12134	2.1
265.15775	1.1
267.13782	3.4
269.13074	1.4
270.13834	1.9
271.11047	0.9
271.14709	2.3
272.15430	1.4
273.14484	4.9
273.16763	1.3
274.17239	1.3
275.14151	1.4
275.17719	1.2
277.12500	1.0
277.15680	1.4
279.13705	0.9
279.16913	0.7
283.14532	1.0
284.15549	1.2
285.12805	1.2
285.16284	2.9
286.13431	0.8
286.16818	1.0
287.14081	1.7
287.17780	1.4
288.15118	0.7
288.18411	0.8
289.12271	0.8
289.15512	0.9
291.13806	0.8
297.12708	0.9
298.13519	1.0
299.14343	0.8
299.17700	2.4
300.15112	1.0
300.18616	0.9
301.15805	1.2
301.19305	1.7
302.16415	1.2
303.13754	1.5
303.17346	1.5
305.15213	1.9
313.19189	1.0
314.20038	0.9
315.21021	1.2
319.16806	2.3
327.17490	1.8
329.19016	1.6
331.16779	1.1
331.20355	1.4
333.18506	1.2
339.23035	2.7
345.18585	4.1
346.18542	0.7
347.20212	1.1
349.21661	6.9
357.24176	2.3
359.20093	1.3
360.20752	2.1
367.22705	15.6
368.23007	1.6
385.23779	15.6
386.23782	0.8
395.23859	0.8
399.23007	1.9
403.24710	2.8
405.23679	0.8
413.24863	6.3
414.25012	1.4
415.26370	1.9
417.23972	1.2
423.23175	2.9
431.25574	2.3
441.24301	19.5
442.24231	2.3
459.25339	100.0
460.25702	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.5
51.83458	0.4
53.03943	5.8
55.01631	0.7
55.01874	7.7
55.05512	29.3
57.03442	5.1
57.07066	0.6
59.04998	1.1
65.03936	3.0
67.05504	42.4
67.62331	0.4
68.05823	0.6
69.03426	5.0
69.07067	11.8
71.01363	0.7
71.04997	3.7
71.28919	0.5
71.29285	0.5
73.06543	0.7
77.03942	0.5
79.05492	47.6
80.05815	0.9
81.03417	100.0
81.07056	38.8
81.07438	0.5
82.03741	0.9
82.07395	0.6
83.04979	12.8
83.05460	0.9
83.08618	22.5
84.08967	0.5
85.02914	1.0
85.06522	2.5
91.05479	57.6
92.05827	0.9
93.03344	0.5
93.07045	26.7
94.07375	0.5
95.04969	34.1
95.08611	14.9
95.09219	0.8
95.67947	0.5
96.05292	0.9
97.02896	3.0
97.06528	5.3
97.10168	19.3
99.08092	1.2
103.05462	2.1
105.03379	0.7
105.04518	1.4
105.07029	35.2
106.07378	1.1
107.04955	20.4
107.08593	14.2
109.06520	7.2
109.10156	6.7
111.04424	2.3
111.08073	8.4
113.06004	1.5
113.48635	0.4
115.05447	4.5
116.06248	1.1
117.07021	11.2
118.07362	0.5
119.04942	2.2
119.08583	22.9
120.08978	0.7
121.05630	0.9
121.06498	11.5
121.10147	8.6
122.79751	0.4
123.04433	2.1
123.08073	5.9
123.11755	1.3
125.06013	1.0
125.09631	9.8
127.07552	1.0
128.06215	3.4
129.07007	23.3
131.04910	4.9
131.08568	20.3
132.08937	0.6
133.06496	9.5
133.10126	15.0
134.10483	0.5
135.04445	0.8
135.08051	4.7
135.11720	2.1
137.05977	1.2
137.09631	3.3
141.06973	3.4
142.07802	4.3
143.04898	0.7
143.08571	6.2
143.10664	2.6
144.05705	2.2
145.06487	18.6
145.10115	6.6
147.04413	1.7
147.08054	9.1
147.11688	13.1
147.12885	0.6
148.12050	0.7
149.05948	0.9
149.09621	6.8
151.07530	11.0
151.11229	1.4
153.07013	1.3
153.09091	3.2
153.12720	0.7
153.89519	0.4
154.07805	0.5
155.08543	5.8
157.06477	4.4
157.10127	17.4
158.10371	0.5
159.08029	5.2
159.11711	2.5
161.05933	2.7
161.09644	2.6
161.13316	0.6
163.11177	3.9
165.07018	1.3
165.09105	5.6
165.12761	3.4
166.07826	0.9
167.08507	3.5
168.09447	0.7
168.47981	0.5
169.06537	1.5
169.10149	3.4
171.08058	4.8
171.10301	1.0
171.11690	3.1
172.08891	0.6
173.09592	2.5
173.11917	0.7
173.13202	0.9
175.07570	1.4
175.11185	15.2
177.09076	1.2
177.12801	1.0
179.08585	1.7
180.09326	0.7
181.06552	0.7
181.10106	2.4
181.12253	0.5
182.10989	0.7
183.08076	1.8
183.11754	1.6
184.08873	0.6
185.09601	2.3
185.13255	2.1
187.07655	0.5
187.11189	2.1
187.14861	1.4
189.09145	1.7
189.11235	4.3
189.12769	1.3
191.10690	1.9
192.09419	0.5
193.10321	1.8
193.12233	47.1
194.12646	1.8
195.08121	1.4
195.11691	3.9
197.08076	0.5
197.09689	2.1
197.13271	3.0
199.11197	2.9
201.12769	1.0
203.14380	0.9
205.10434	0.9
205.12276	1.8
207.11734	1.4
209.09712	1.1
209.13239	1.5
211.11192	2.0
211.13300	1.6
213.12794	2.4
215.10768	0.8
215.14290	2.8
217.10240	0.9
217.12306	0.9
219.11693	1.5
219.13660	0.6
221.13310	1.3
223.11226	1.1
223.13188	0.7
223.15060	0.5
225.12773	1.4
227.14429	2.3
229.10088	0.7
231.11801	0.6
231.13690	2.2
233.13278	0.8
233.15425	3.0
235.11224	1.0
237.12648	2.7
239.14317	1.5
243.11646	0.6
243.13904	1.1
244.12424	0.6
245.13248	0.7
245.15504	1.1
249.14778	3.0
251.14249	0.7
255.13803	5.0
257.15466	2.0
259.13116	0.9
267.16000	1.6
269.15381	0.8
271.17007	1.3
273.11868	0.7
273.14810	13.4
274.15137	0.8
281.15533	1.0
283.17068	1.3
287.16544	1.6
289.18204	0.7
299.16412	0.9
313.18436	0.5
314.11621	0.5
319.17166	0.7
320.17630	0.9
321.22150	1.1
325.17865	0.7
331.20450	0.9
339.23190	6.3
347.18979	0.5
349.21625	10.7
350.21887	0.7
357.24130	3.7
367.22668	27.4
368.23306	2.1
385.23706	23.8
385.28723	1.0
386.24185	1.6
403.24692	6.2
404.25208	0.6
405.24213	1.0
423.25269	1.1
441.26337	3.9
459.27420	70.0
460.27719	7.2
474.26288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	4.9
55.01870	12.0
55.05512	41.5
57.03450	5.9
59.05041	1.7
65.03934	2.1
67.05505	41.3
69.03436	6.5
69.07069	11.2
69.38656	6.9
71.05013	4.3
78.32741	1.4
79.05492	49.5
81.03419	45.0
81.07059	35.3
81.07507	2.0
83.04990	13.1
83.08613	19.2
85.06571	2.2
91.05480	38.3
93.07039	30.0
95.04969	23.5
95.08609	21.2
95.57008	1.2
97.02921	1.4
97.06551	6.7
97.10164	24.3
98.22686	2.9
101.07859	1.2
103.05489	1.6
104.24907	1.3
105.07028	33.6
107.04958	23.2
107.08587	23.5
109.06511	8.3
109.10152	12.9
111.04489	4.4
111.08112	7.4
115.05476	6.6
117.07010	17.4
117.07687	1.4
119.04984	2.6
119.08586	19.8
121.06502	20.2
121.10159	9.7
123.04490	3.9
123.08035	7.7
123.11743	2.5
125.09638	22.4
125.10529	1.5
128.06282	5.9
129.06995	20.8
131.04932	8.3
131.08562	20.5
131.09467	1.6
133.06519	11.4
133.10133	10.2
135.04480	1.5
135.08049	10.1
135.11757	3.1
137.06047	2.1
137.09676	3.7
139.07597	1.7
141.06979	7.5
142.07809	2.4
143.08568	13.0
144.05746	2.4
145.06485	35.1
145.07582	2.0
145.10109	10.8
146.07106	1.3
147.04448	3.7
147.08060	10.5
147.11702	10.5
149.05931	1.7
149.09698	5.9
151.07562	2.5
151.11227	2.1
153.07083	2.9
153.09087	6.6
153.12830	2.6
155.08556	11.4
156.09338	1.7
157.06578	5.4
157.10110	12.9
158.10576	1.3
159.08096	7.9
159.11795	3.5
161.06078	5.4
161.09700	4.8
163.11272	3.5
163.24605	1.3
165.09158	5.1
165.12790	1.6
167.08670	5.3
168.09341	1.5
169.06503	2.8
169.10139	8.6
171.08101	8.2
171.11765	6.0
173.09695	4.9
175.07616	2.9
175.11168	8.8
177.09193	2.5
177.12703	2.8
179.08644	3.6
180.09389	2.2
181.10242	5.5
182.10962	1.4
183.08104	3.3
183.11765	5.0
184.08846	1.9
185.09599	6.0
185.13382	4.0
187.11281	3.8
187.14911	2.0
189.09367	2.4
189.11304	11.5
189.12857	5.4
191.10753	1.5
193.10294	4.3
193.12202	26.0
194.10951	2.2
195.08162	5.7
195.11740	8.7
197.09695	5.6
197.13445	4.2
199.11182	6.6
200.12015	1.2
201.12766	1.5
203.10716	1.6
203.14421	2.6
205.10347	2.1
205.12297	3.0
206.11002	2.0
207.11832	2.2
209.09602	3.1
209.13373	3.6
211.11241	2.7
211.14960	2.3
213.12857	3.3
215.10744	2.0
215.14374	3.8
216.09409	1.7
217.10364	1.8
217.12320	2.7
219.11771	3.3
221.09708	1.8
221.13463	1.7
223.11292	3.6
223.13298	2.0
225.12869	3.7
227.14415	3.8
231.11783	1.8
231.13953	2.6
233.09726	1.7
233.15536	2.6
235.11288	2.2
237.12640	7.8
239.14465	4.9
241.12265	2.5
241.14418	2.4
243.11725	1.7
243.14001	2.7
245.13312	2.0
245.15533	2.5
249.12724	2.0
249.15002	1.9
251.14468	3.5
255.13863	6.6
257.13104	1.8
257.15527	3.0
261.12750	1.8
271.17065	1.9
273.14777	24.9
275.16647	2.1
281.15378	1.7
283.17020	1.6
287.16721	2.0
321.22223	2.4
331.20676	2.1
339.23077	8.3
345.18680	2.0
349.21594	21.2
349.25369	1.7
357.24521	5.5
360.21027	1.7
367.22678	53.9
368.23242	4.6
377.25067	1.5
385.23724	50.9
386.24155	4.3
403.24762	12.1
405.24362	3.7
413.24832	3.1
423.25119	2.1
431.25946	3.5
441.26114	7.5
442.25671	1.6
459.27463	100.0
460.27750	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.9
53.03939	5.9
55.01874	7.7
55.05513	24.2
57.03439	5.7
57.07070	1.8
59.04999	1.2
65.03943	4.2
67.05503	32.1
69.03445	4.7
69.07060	7.1
70.56847	1.4
70.57196	1.1
71.04999	3.8
77.03937	1.3
79.05489	42.0
81.03416	100.0
81.07053	31.0
81.07521	1.7
82.07378	1.0
83.04985	14.7
83.08618	24.3
84.40145	0.9
85.06563	2.0
91.05477	48.9
93.07045	26.6
93.07619	1.3
95.04964	31.6
95.08599	16.6
97.02915	2.8
97.06535	5.0
97.10152	9.8
99.04475	0.9
99.08096	1.4
101.71275	0.9
103.05474	2.8
105.07026	31.9
106.07389	1.1
107.04945	16.6
107.05590	1.0
107.08588	15.7
109.02884	1.1
109.06515	7.0
109.10150	7.4
111.04445	4.5
111.08078	11.6
115.05444	6.0
117.07008	9.1
119.04913	2.2
119.08578	23.2
121.06506	10.2
121.10134	8.3
123.04419	2.0
123.08083	4.7
123.11742	1.9
125.09616	7.4
127.07529	1.0
128.06189	4.4
129.07005	19.6
130.07497	0.8
131.04967	4.1
131.08577	19.0
132.79112	1.0
133.06512	7.8
133.10129	15.4
135.08052	5.7
135.11736	2.3
137.06015	2.4
137.09665	2.7
137.80084	0.9
141.06987	5.0
142.07777	6.1
143.08575	6.9
144.05757	2.8
145.06477	26.0
145.10106	9.3
146.06984	1.1
147.04443	1.2
147.08040	11.1
147.09045	1.2
147.11664	14.4
147.12717	1.1
149.09616	5.6
151.07603	1.1
152.06332	1.3
153.06996	1.5
153.09138	2.6
153.12794	1.1
154.07857	2.4
155.08562	8.3
156.09352	1.9
157.06546	4.1
157.10135	19.0
158.10454	1.5
159.04439	1.0
159.08054	5.4
159.11743	3.1
161.05969	4.5
161.09613	4.2
161.13274	1.2
163.11208	2.9
165.07010	2.6
165.09103	4.8
165.12744	1.9
166.07954	1.3
167.07224	1.0
167.08459	4.5
168.09370	1.3
169.06509	3.0
169.10124	6.2
170.10640	1.3
171.08101	6.6
171.11713	6.1
173.09656	4.3
173.13449	1.0
175.07494	1.0
175.11183	13.6
179.08604	3.2
180.09322	1.5
181.06467	1.2
181.10199	3.8
182.10986	1.2
183.08038	3.0
183.11732	2.8
185.09592	5.6
185.13261	2.9
187.11229	3.4
189.09129	1.2
189.11255	3.1
189.12781	1.6
191.08607	1.9
193.10294	4.3
193.12216	50.0
194.10951	1.1
194.12476	2.0
195.08118	3.8
195.11723	7.1
197.09618	4.4
197.13301	4.1
199.07578	1.2
199.11186	3.5
199.14899	1.5
201.12743	2.0
203.08624	1.3
203.10701	1.4
203.14354	1.6
205.10211	2.9
205.12337	2.5
206.10883	1.7
207.11761	4.0
209.09750	2.5
209.13312	3.8
211.11299	2.8
211.14957	2.3
213.09100	2.2
213.12775	3.8
215.10733	1.6
215.14389	2.2
216.09366	2.0
217.10242	2.2
217.12302	1.6
218.10907	2.1
219.08119	1.0
219.11728	3.5
221.09688	1.0
221.13289	3.2
223.11215	2.2
223.14862	1.6
225.12845	3.1
227.14374	4.1
229.10161	2.2
229.15948	1.5
230.10960	2.9
231.11763	4.7
231.13785	2.0
232.12401	1.1
233.13351	3.3
233.15445	1.5
234.14017	1.0
235.11241	2.5
235.14931	1.7
237.12798	3.5
239.14413	3.6
243.11752	3.8
243.14001	1.1
244.12531	3.1
245.13335	4.2
245.15524	1.5
246.13846	1.5
247.11215	1.7
247.14954	2.0
249.14818	4.4
251.14226	1.1
255.13812	8.1
257.13135	2.0
257.15594	2.0
258.14050	2.1
259.11069	1.4
259.14899	3.8
260.15601	1.8
261.12738	1.0
261.16370	2.3
263.14331	1.3
265.12616	0.9
267.15921	1.1
269.15591	2.2
271.14764	1.6
272.12393	1.1
272.15656	1.4
273.14630	14.1
275.14133	1.6
276.11374	1.2
277.12192	2.2
277.15598	1.7
283.17245	1.9
285.12662	1.7
285.16418	1.7
289.15979	1.1
289.19534	1.2
291.17386	1.4
293.15469	1.2
299.18042	1.7
301.15781	1.8
303.17557	1.7
305.15454	3.6
317.15482	2.4
319.16858	4.3
320.17661	1.9
321.18536	2.6
321.22046	1.5
327.17459	1.8
329.19156	1.2
331.20685	2.1
333.18442	3.2
339.23315	3.8
342.20047	1.3
345.18658	5.0
348.20963	2.9
349.21634	15.5
357.24496	2.0
359.20023	1.4
360.20929	2.2
367.18048	2.0
367.22668	31.3
368.23026	3.6
371.20178	1.1
385.23700	20.3
386.23972	1.9
403.24832	4.2
405.24445	1.6
413.25052	3.4
423.24820	2.8
431.25598	4.5
441.24048	10.5
442.24695	1.5
459.26620	83.1
460.26102	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.3
55.01876	1.8
55.05511	34.2
57.03447	1.7
57.07076	52.2
59.05004	3.3
62.05506	1.2
64.77264	1.2
65.03944	1.3
67.05505	28.5
69.03419	3.2
69.07067	56.2
71.04981	6.7
71.08633	46.9
72.60046	1.2
77.03937	3.0
79.05495	24.2
81.03423	1.5
81.07059	82.2
83.04987	13.6
83.08623	39.5
85.06538	3.0
85.10179	21.4
91.05476	22.2
93.07043	69.5
94.07375	1.3
95.04977	7.4
95.08609	76.6
96.08950	1.2
97.06532	6.4
97.10178	21.2
99.04449	14.4
99.08075	1.9
99.11749	3.9
105.04541	1.3
105.07030	28.0
106.07370	1.7
107.04958	1.6
107.08595	68.0
108.08938	1.8
109.06508	8.7
109.10159	52.2
110.10474	1.2
111.04472	6.4
111.08095	5.2
111.11711	9.9
113.09606	1.4
113.13284	4.0
115.05460	1.9
117.07029	3.8
119.08585	26.6
119.49275	1.1
121.06517	5.7
121.10145	80.6
122.10523	3.1
123.08059	11.0
123.11707	24.3
124.11915	1.2
125.05993	78.8
125.09649	2.4
125.13268	3.5
126.06313	2.9
127.03918	29.0
127.11158	1.8
127.14849	1.6
128.06198	1.8
129.07030	4.1
130.07805	1.8
131.08565	9.9
133.06502	2.6
133.10135	24.3
134.10519	2.3
135.08109	6.1
135.11693	31.1
137.05977	23.1
137.09615	9.1
137.13225	7.5
139.07596	1.6
139.11308	1.5
141.07025	1.5
142.07793	2.8
143.08560	8.5
144.09331	2.8
145.10138	14.4
147.08037	3.2
147.11717	15.3
149.05975	3.3
149.09596	6.2
149.13251	37.0
151.07558	11.8
151.11179	7.1
151.14853	3.6
153.05530	1.5
155.08534	9.7
156.09354	2.8
157.10126	9.1
159.08047	2.0
159.11720	11.3
161.09619	4.4
161.13275	8.8
163.07568	3.2
163.11203	5.3
163.14836	17.8
165.07039	2.3
165.09117	38.0
165.10464	2.6
165.12775	1.8
165.16420	3.2
166.09464	2.0
167.07040	10.6
167.08528	4.0
168.09282	1.6
169.10126	6.8
171.08095	3.2
171.11723	6.7
172.08781	1.8
173.09645	7.7
173.13286	5.4
175.07500	2.0
175.11203	6.5
175.14851	5.5
177.09100	8.7
177.12791	3.1
177.16406	4.3
179.07054	2.5
179.08586	2.1
179.18004	2.9
180.09375	3.4
181.08594	1.4
181.10141	3.9
181.12222	2.0
183.11649	2.3
183.13951	1.2
183.21124	2.4
185.09605	6.7
185.13231	4.2
187.11209	8.6
187.14803	2.1
188.08356	1.9
189.09073	3.4
189.12759	5.0
189.16399	3.9
190.09877	2.5
191.10626	4.2
191.17950	3.6
192.09407	2.2
193.08585	3.4
193.10167	5.8
193.19656	1.3
194.10918	3.6
195.02966	4.1
195.08081	2.6
195.11736	9.7
195.13460	1.9
196.12231	1.3
197.09631	3.3
197.13261	3.1
199.11250	4.9
199.14925	2.2
201.16432	1.9
203.10643	11.8
203.17932	2.4
205.10207	3.4
205.12244	4.6
205.19547	2.9
207.11719	6.3
207.13834	2.8
207.17424	1.6
208.12346	2.5
209.13368	2.4
209.15242	2.2
213.03859	1.7
213.12801	4.3
215.10640	3.2
215.14340	2.2
217.10191	2.2
217.12219	7.2
217.15871	1.8
218.10966	1.9
219.09941	1.8
219.11780	4.1
219.13676	1.9
219.21184	3.1
220.12485	2.0
221.13425	2.6
221.15428	2.4
223.14886	1.9
225.12831	1.7
227.14363	2.2
227.18097	1.8
229.10124	3.3
229.12271	2.0
230.11018	1.9
231.11682	4.1
231.13806	1.5
233.13504	1.7
237.12737	2.1
237.16341	1.7
237.18486	1.9
241.12373	1.6
241.15842	3.5
243.11717	3.7
244.12572	4.1
245.13358	6.0
245.15561	2.4
249.12767	1.9
249.18564	2.0
251.20105	3.3
255.13853	3.6
255.17352	1.5
257.13293	4.8
258.14020	2.1
259.11069	1.8
259.14819	5.3
259.24191	1.9
263.14508	1.8
263.20129	4.7
267.13931	2.4
271.14804	2.9
272.15579	2.8
273.16412	3.1
275.27325	41.0
276.27618	2.9
277.21640	2.1
277.25302	4.5
285.16391	3.9
287.17975	2.5
288.18448	1.6
291.13504	1.5
299.17938	3.0
305.15475	2.2
315.30338	8.0
319.16803	1.9
331.17078	1.7
333.31430	9.5
345.18463	4.3
360.20825	2.2
381.31381	4.6
395.32983	3.4
399.23618	1.9
399.32745	8.0
413.24893	1.9
413.34457	1.9
415.26337	1.8
417.33429	1.6
423.32474	3.5
441.24271	6.2
441.33456	12.1
442.33765	1.6
459.25287	100.0
459.34613	13.2
459.44916	2.3
460.25653	12.9
460.35190	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.3
55.01876	1.8
55.05511	34.2
57.03447	1.7
57.07076	52.2
59.05004	3.3
62.05506	1.2
64.77264	1.2
65.03944	1.3
67.05505	28.5
69.03419	3.2
69.07067	56.2
71.04981	6.7
71.08633	46.9
72.60046	1.2
77.03937	3.0
79.05495	24.2
81.03423	1.5
81.07059	82.2
83.04987	13.6
83.08623	39.5
85.06538	3.0
85.10179	21.4
91.05476	22.2
93.07043	69.5
94.07375	1.3
95.04977	7.4
95.08609	76.6
96.08950	1.2
97.06532	6.4
97.10178	21.2
99.04449	14.4
99.08075	1.9
99.11749	3.9
105.04541	1.3
105.07030	28.0
106.07370	1.7
107.04958	1.6
107.08595	68.0
108.08938	1.8
109.06508	8.7
109.10159	52.2
110.10474	1.2
111.04472	6.4
111.08095	5.2
111.11711	9.9
113.09606	1.4
113.13284	4.0
115.05460	1.9
117.07029	3.8
119.08585	26.6
119.49275	1.1
121.06517	5.7
121.10145	80.6
122.10523	3.1
123.08059	11.0
123.11707	24.3
124.11915	1.2
125.05993	78.8
125.09649	2.4
125.13268	3.5
126.06313	2.9
127.03918	29.0
127.11158	1.8
127.14849	1.6
128.06198	1.8
129.07030	4.1
130.07805	1.8
131.08565	9.9
133.06502	2.6
133.10135	24.3
134.10519	2.3
135.08109	6.1
135.11693	31.1
137.05977	23.1
137.09615	9.1
137.13225	7.5
139.07596	1.6
139.11308	1.5
141.07025	1.5
142.07793	2.8
143.08560	8.5
144.09331	2.8
145.10138	14.4
147.08037	3.2
147.11717	15.3
149.05975	3.3
149.09596	6.2
149.13251	37.0
151.07558	11.8
151.11179	7.1
151.14853	3.6
153.05530	1.5
155.08534	9.7
156.09354	2.8
157.10126	9.1
159.08047	2.0
159.11720	11.3
161.09619	4.4
161.13275	8.8
163.07568	3.2
163.11203	5.3
163.14836	17.8
165.07039	2.3
165.09117	38.0
165.10464	2.6
165.12775	1.8
165.16420	3.2
166.09464	2.0
167.07040	10.6
167.08528	4.0
168.09282	1.6
169.10126	6.8
171.08095	3.2
171.11723	6.7
172.08781	1.8
173.09645	7.7
173.13286	5.4
175.07500	2.0
175.11203	6.5
175.14851	5.5
177.09100	8.7
177.12791	3.1
177.16406	4.3
179.07054	2.5
179.08586	2.1
179.18004	2.9
180.09375	3.4
181.08594	1.4
181.10141	3.9
181.12222	2.0
183.11649	2.3
183.13951	1.2
183.21124	2.4
185.09605	6.7
185.13231	4.2
187.11209	8.6
187.14803	2.1
188.08356	1.9
189.09073	3.4
189.12759	5.0
189.16399	3.9
190.09877	2.5
191.10626	4.2
191.17950	3.6
192.09407	2.2
193.08585	3.4
193.10167	5.8
193.19656	1.3
194.10918	3.6
195.02966	4.1
195.08081	2.6
195.11736	9.7
195.13460	1.9
196.12231	1.3
197.09631	3.3
197.13261	3.1
199.11250	4.9
199.14925	2.2
201.16432	1.9
203.10643	11.8
203.17932	2.4
205.10207	3.4
205.12244	4.6
205.19547	2.9
207.11719	6.3
207.13834	2.8
207.17424	1.6
208.12346	2.5
209.13368	2.4
209.15242	2.2
213.03859	1.7
213.12801	4.3
215.10640	3.2
215.14340	2.2
217.10191	2.2
217.12219	7.2
217.15871	1.8
218.10966	1.9
219.09941	1.8
219.11780	4.1
219.13676	1.9
219.21184	3.1
220.12485	2.0
221.13425	2.6
221.15428	2.4
223.14886	1.9
225.12831	1.7
227.14363	2.2
227.18097	1.8
229.10124	3.3
229.12271	2.0
230.11018	1.9
231.11682	4.1
231.13806	1.5
233.13504	1.7
237.12737	2.1
237.16341	1.7
237.18486	1.9
241.12373	1.6
241.15842	3.5
243.11717	3.7
244.12572	4.1
245.13358	6.0
245.15561	2.4
249.12767	1.9
249.18564	2.0
251.20105	3.3
255.13853	3.6
255.17352	1.5
257.13293	4.8
258.14020	2.1
259.11069	1.8
259.14819	5.3
259.24191	1.9
263.14508	1.8
263.20129	4.7
267.13931	2.4
271.14804	2.9
272.15579	2.8
273.16412	3.1
275.27325	41.0
276.27618	2.9
277.21640	2.1
277.25302	4.5
285.16391	3.9
287.17975	2.5
288.18448	1.6
291.13504	1.5
299.17938	3.0
305.15475	2.2
315.30338	8.0
319.16803	1.9
331.17078	1.7
333.31430	9.5
345.18463	4.3
360.20825	2.2
381.31381	4.6
395.32983	3.4
399.23618	1.9
399.32745	8.0
413.24893	1.9
413.34457	1.9
415.26337	1.8
417.33429	1.6
423.32474	3.5
441.24271	6.2
441.33456	12.1
442.33765	1.6
459.25287	100.0
459.34613	13.2
459.44916	2.3
460.25653	12.9
460.35190	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.4
54.06905	3.1
55.01873	4.1
55.05518	33.2
57.07061	12.7
63.79543	3.9
67.05506	40.0
69.07068	59.1
71.08651	6.9
73.06527	8.5
79.05490	33.1
81.07058	73.8
83.05019	7.3
83.08600	27.6
85.06529	9.7
88.63953	3.5
91.05473	30.5
93.07041	71.7
95.04950	6.6
95.08604	91.5
97.06541	3.9
97.10169	10.1
97.42517	3.5
98.22556	7.5
99.08098	6.2
105.03398	27.2
105.07021	52.2
107.08594	90.6
109.06506	10.2
109.10161	51.1
111.08078	7.0
111.11681	8.3
115.07553	18.5
117.07031	7.1
119.08581	75.0
121.06540	7.7
121.10137	100.0
123.08072	7.0
123.11736	27.0
129.07001	7.7
129.09143	7.4
131.08583	22.7
133.06517	4.9
133.10130	72.0
135.04407	10.0
135.08032	14.3
135.11685	56.3
136.11955	4.2
137.05962	8.9
137.09602	11.1
137.13258	4.8
141.05460	5.2
142.07767	6.7
143.08560	11.7
143.10677	4.0
145.06586	4.1
145.10150	30.2
147.08038	5.8
147.11684	71.4
149.05974	8.0
149.09669	18.0
149.13266	32.9
151.07599	6.2
151.11220	6.0
153.09018	5.1
155.07018	6.8
155.08513	11.7
157.10110	11.4
159.07982	5.5
159.11687	27.7
161.09590	16.0
161.13252	33.3
163.03978	17.1
163.11203	31.8
163.14827	13.4
165.05591	3.9
165.09116	19.4
165.12779	5.4
167.07065	6.1
167.10699	9.4
169.10173	10.8
171.11664	12.0
173.09653	4.4
173.13261	16.3
175.11160	25.7
175.14815	21.3
177.05489	8.0
177.09041	4.2
177.12750	45.3
177.16374	5.0
179.07036	5.5
181.10089	4.7
181.12265	10.1
183.11713	7.2
185.13283	8.9
187.14833	13.3
189.09062	4.8
189.12738	23.6
189.16341	16.8
191.14291	6.8
191.18094	4.5
193.12271	5.6
195.12024	5.3
195.13780	23.7
197.13235	5.8
199.14792	6.3
201.16464	5.5
203.10690	4.9
203.14365	10.2
205.12215	5.2
205.15848	4.4
207.13718	8.2
209.15370	27.0
213.16388	7.5
215.14272	4.9
217.15886	6.5
219.10167	7.4
221.15337	25.6
223.16966	14.0
229.15718	4.9
231.17448	12.5
235.16911	11.1
237.18559	9.0
249.18483	17.6
251.20107	7.5
263.20047	14.9
281.12662	3.9
289.17966	4.2
327.08066	3.9
331.25830	4.1
360.11020	3.6
360.20584	5.1
377.28366	9.4
395.29303	12.9
409.31003	9.3
417.33554	4.6
427.31934	14.8
441.24478	6.8
441.33417	14.3
459.18555	3.7
459.25180	96.4
459.34991	36.3
460.25681	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32976	1.1
51.92208	1.3
53.03944	1.4
53.67649	1.1
55.01875	2.1
55.05510	14.9
57.03435	1.3
57.07077	4.8
59.04988	1.9
67.05505	17.9
69.03435	2.8
69.07073	20.9
69.17817	1.2
69.17928	1.7
69.18370	8.3
70.63194	1.2
71.05002	6.9
71.08643	1.9
79.05503	8.6
81.07062	28.3
83.04985	9.9
83.08623	10.2
85.06571	3.0
91.05483	8.6
93.07044	16.7
93.33952	1.2
95.04989	3.2
95.08610	33.9
95.97263	1.2
97.06540	3.5
97.10178	5.0
98.23414	2.1
99.08107	2.4
103.05409	1.3
105.07024	13.8
107.08594	15.0
109.06537	4.0
109.10167	19.0
111.04494	6.3
111.05107	1.1
111.08089	4.3
111.11731	2.2
117.07052	3.1
119.08569	13.3
120.96619	1.2
121.06555	2.8
121.10152	9.2
122.07280	1.7
123.08083	5.6
123.11704	11.2
127.11221	3.0
128.06256	3.4
129.07030	3.3
130.07802	1.2
131.08557	9.2
133.10120	8.4
135.08093	4.3
135.11708	7.2
137.05963	2.6
137.09627	9.3
137.13287	4.8
139.07550	1.5
141.07042	2.0
141.12796	2.6
142.07791	5.8
143.08577	6.6
144.09344	1.5
145.06474	1.9
145.10074	7.4
147.08083	1.5
147.11714	5.3
149.09644	9.2
149.13310	4.1
151.07544	34.3
151.14926	2.1
153.06906	1.9
154.07779	2.8
155.08534	11.7
156.09338	4.7
157.06471	1.5
157.10112	5.9
159.08093	4.4
159.11707	5.2
161.09644	3.7
161.13292	2.8
163.07553	1.7
163.11186	5.8
163.14856	2.6
165.09119	78.8
166.09425	1.6
167.07092	4.3
167.08580	5.3
169.10117	10.3
171.07985	1.4
171.11714	5.1
172.08841	1.5
173.09651	5.6
173.13255	2.3
175.07565	3.4
175.11188	5.0
177.09114	20.0
177.16464	1.5
179.07072	9.9
179.08633	3.2
179.10684	2.4
180.09340	2.1
181.10114	2.5
182.10901	1.5
183.11780	3.1
185.09656	2.7
185.13344	1.8
187.11232	3.5
188.08371	4.8
189.09116	8.1
189.12747	3.0
190.09840	1.9
191.08911	1.7
191.10660	8.9
191.17979	2.0
192.09410	3.0
193.10175	5.1
194.10916	2.4
195.08139	4.7
195.11726	5.3
197.09677	5.5
197.13266	2.9
199.11221	5.2
199.14865	2.0
201.09158	1.9
201.12788	2.0
201.16380	1.4
202.09836	1.5
203.08760	1.8
203.10661	32.3
203.14445	1.3
204.09319	2.2
205.10190	3.5
205.12285	15.6
206.10931	2.8
207.11765	7.1
209.13321	3.5
211.11180	2.3
213.12843	2.2
215.08643	1.5
215.10791	4.0
216.09378	2.8
217.10246	2.4
217.12296	3.6
218.10930	3.2
219.11734	3.7
221.09921	1.7
221.11743	4.8
221.13405	4.6
223.11119	1.8
225.12964	1.2
229.10213	2.6
230.10870	3.0
231.11684	4.9
231.13907	5.5
232.12384	1.2
233.13316	3.5
234.13907	1.4
235.14871	1.9
237.12708	2.1
239.14357	1.7
243.11716	3.1
244.12503	2.5
245.09627	1.2
245.13202	5.7
245.15422	1.9
246.13898	2.5
247.11252	1.3
247.14844	2.7
247.24281	1.9
249.12817	2.9
255.13905	3.6
257.13309	4.9
258.14087	3.1
259.11227	1.9
259.14862	4.8
260.15509	1.9
261.12704	1.6
261.16400	2.6
265.12289	1.8
267.13943	2.9
270.13983	2.1
271.14758	2.4
272.15564	1.8
273.16339	3.5
275.14310	1.9
275.17929	1.4
283.26324	18.6
285.12903	1.3
285.16437	3.5
286.13705	1.6
287.14215	2.1
299.17914	1.7
300.15097	1.2
300.18677	2.0
301.16019	1.7
312.14886	1.6
319.17062	2.5
327.17569	3.0
331.16751	1.5
339.29047	1.8
345.18484	6.2
347.20288	1.3
360.20837	1.6
395.33252	1.5
399.23389	1.5
413.24698	5.3
413.29898	2.7
413.34814	1.7
415.26767	1.4
423.32513	3.2
431.25739	2.1
434.41766	1.5
441.24387	18.6
441.33594	18.3
442.25034	1.4
442.33945	1.8
459.25320	100.0
459.34879	8.5
460.25604	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91053	1.2
53.03947	2.9
55.01867	1.4
55.05511	14.2
57.03420	1.8
57.07077	10.6
59.53881	1.0
65.03940	1.9
67.05174	1.6
67.05505	20.0
67.61388	0.9
69.03442	1.8
69.07070	23.4
69.23152	1.1
69.26646	7.2
71.04994	2.6
71.08627	2.7
73.80208	1.0
79.05493	13.4
81.07055	38.1
82.07368	1.1
83.04976	8.5
83.08617	13.3
85.06535	5.0
87.89178	1.1
91.05476	12.3
93.07040	28.7
93.28219	1.2
95.04979	2.9
95.08604	54.4
96.08959	1.2
97.06526	3.5
97.10149	5.9
99.08096	9.3
100.90725	1.0
105.03386	1.3
105.07020	14.6
107.04944	1.5
107.08593	34.8
108.08921	1.5
109.06526	4.5
109.10153	42.4
110.10500	2.3
111.04443	4.5
111.08086	4.0
111.11747	2.7
113.09650	1.2
115.05437	1.3
117.07020	3.9
119.08587	17.5
121.06503	3.3
121.10136	30.6
122.10452	1.1
123.08050	4.0
123.11710	17.5
125.05943	1.1
125.09650	2.4
127.11185	5.3
128.06189	1.8
129.06999	3.6
129.09085	1.2
131.08577	6.0
133.06444	1.2
133.10138	22.9
135.04384	2.7
135.08025	5.4
135.11696	18.5
135.77892	0.9
137.05983	4.4
137.09621	2.7
137.13278	5.1
139.07538	2.5
141.05388	1.1
142.07784	1.7
143.08542	4.2
145.10112	9.7
147.08070	2.9
147.11671	14.8
149.06027	2.2
149.09624	4.0
149.13254	15.6
151.07571	4.8
151.11154	1.6
151.14862	2.8
153.05493	6.4
153.06653	1.4
153.09087	1.6
154.07713	1.6
155.08569	9.3
156.09372	1.2
157.10155	4.8
159.11722	7.9
160.01202	1.3
161.09618	3.7
161.13255	9.5
163.07620	1.4
163.11198	4.6
163.14801	7.4
165.05490	12.1
165.06987	2.5
165.09033	5.5
165.12717	1.3
167.07059	27.3
167.08530	3.3
167.10701	3.7
169.10126	4.5
171.11664	3.1
173.09630	2.9
173.13281	4.6
175.07591	1.8
175.11192	2.3
175.14780	6.3
177.05455	3.1
177.09137	3.2
177.12732	2.7
177.16382	5.0
179.07057	2.0
179.08537	1.5
180.09319	2.0
181.08661	1.5
181.10115	1.8
181.12271	4.4
183.11740	1.5
187.11105	2.3
187.14833	4.2
189.09166	2.7
189.12752	1.4
189.16376	8.9
191.06989	2.1
191.10625	1.2
191.14374	1.3
191.17953	4.2
192.09337	1.2
193.08583	1.6
193.10165	2.6
193.15880	1.1
195.06537	1.9
195.08215	1.1
195.10164	1.6
195.11719	7.9
195.13802	2.8
197.09616	1.5
199.14822	2.2
201.09004	1.6
201.16396	3.7
202.07782	1.4
203.08636	1.0
203.10654	2.9
203.17883	6.7
204.09224	1.3
205.08646	3.3
205.12195	1.0
205.15895	2.1
205.19576	1.8
207.10049	1.9
207.11745	4.3
209.13339	1.9
209.15396	2.3
213.09167	1.1
215.08623	1.2
215.10718	2.0
215.18008	3.0
216.09270	1.6
217.10237	1.7
217.19510	4.3
218.10884	2.7
219.11742	2.9
219.17459	2.4
221.13176	3.0
221.18959	2.1
223.16957	2.8
229.10146	3.4
230.10840	3.5
231.11729	3.8
231.21071	1.8
232.12399	2.0
233.13443	1.9
233.19016	2.4
237.18559	2.8
243.11723	4.5
244.12492	4.0
245.13274	5.7
246.13927	2.0
247.14778	2.7
249.18564	2.3
251.20209	1.4
255.11595	1.7
255.13962	2.0
256.12457	1.4
257.13174	5.3
258.14001	3.5
259.14783	6.7
265.12213	1.2
267.13846	2.4
270.13934	2.5
271.14777	3.4
272.15518	2.0
273.16296	2.7
284.15433	1.3
285.16339	4.1
287.17957	2.9
299.18015	1.8
300.18423	1.5
305.15314	3.1
318.16129	1.4
319.16922	2.1
327.17474	1.7
345.18536	4.0
346.19528	1.2
360.20535	1.6
399.32489	1.7
401.26761	1.1
405.35306	1.0
413.24652	3.4
415.25882	1.0
417.33807	2.6
423.36090	10.5
427.32132	1.2
441.24356	3.4
441.37442	15.4
442.24738	1.2
442.37543	2.7
459.25272	100.0
459.35181	2.9
460.25677	16.5
465.31036	1.2
476.12903	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	24.7
56.88231	6.8
57.07082	69.2
66.54498	7.2
67.05505	50.3
69.07069	40.3
69.82343	8.0
71.08633	49.3
79.05500	24.3
81.07051	100.0
82.05214	9.3
83.08623	25.1
85.10191	27.8
86.20571	7.0
91.05488	24.1
93.07046	59.7
95.08608	74.8
97.10215	16.4
105.07036	85.0
107.08588	39.6
109.10148	67.0
111.04418	7.9
119.08594	73.8
121.10165	48.7
123.11735	15.8
127.57929	7.2
128.22168	8.9
131.08612	9.4
133.10127	44.9
145.10153	19.2
147.11670	51.0
148.91797	8.1
149.13272	26.9
155.08565	11.2
161.13272	14.0
175.14896	12.6
203.17986	51.3
221.18892	8.1
236.76657	8.0
239.23550	13.8
253.84171	8.6
253.87102	8.3
335.70947	8.7
345.49847	7.8
441.24261	11.7
459.25412	93.0
459.31610	12.7
460.25558	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.8
57.03444	10.0
61.02927	1.8
63.93557	1.5
69.03426	3.7
70.64492	4.7
71.04999	69.2
73.02923	2.3
75.04484	4.1
81.07044	1.7
83.05001	5.4
85.02911	100.0
85.32078	1.8
86.03227	1.8
91.67539	1.7
93.07070	2.2
95.08662	1.9
97.02894	6.0
105.07041	1.9
110.06129	1.5
111.04445	3.8
127.03930	4.1
129.05492	41.4
131.08530	1.8
137.05977	2.6
145.04987	2.5
147.06535	19.6
149.09573	1.7
151.07549	1.9
164.09183	5.5
245.11848	1.9
263.12762	2.3
307.05408	1.8
404.70871	1.8
460.11963	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.8
57.03444	10.0
61.02927	1.8
63.93557	1.5
69.03426	3.7
70.64492	4.7
71.04999	69.2
73.02923	2.3
75.04484	4.1
81.07044	1.7
83.05001	5.4
85.02911	100.0
85.32078	1.8
86.03227	1.8
91.67539	1.7
93.07070	2.2
95.08662	1.9
97.02894	6.0
105.07041	1.9
110.06129	1.5
111.04445	3.8
127.03930	4.1
129.05492	41.4
131.08530	1.8
137.05977	2.6
145.04987	2.5
147.06535	19.6
149.09573	1.7
151.07549	1.9
164.09183	5.5
245.11848	1.9
263.12762	2.3
307.05408	1.8
404.70871	1.8
460.11963	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71453	1.9
55.05505	2.1
57.03431	2.1
57.07072	2.0
57.16525	1.9
67.05495	6.5
69.03426	6.4
69.07056	6.0
71.21648	2.3
71.29754	2.1
73.02900	2.3
79.05479	5.8
81.03411	4.4
81.07060	6.1
83.04980	4.4
85.02891	17.6
91.05475	18.6
93.07050	10.9
95.04965	3.0
95.08607	10.5
97.02882	6.7
105.03391	6.7
105.07021	19.7
107.04966	7.4
107.08569	5.4
109.02831	2.5
109.06487	3.5
109.10183	3.0
111.04417	2.3
115.05445	5.3
117.06251	3.2
117.06973	16.1
119.08582	16.4
121.06525	3.1
121.10143	5.1
123.08141	2.6
127.03942	3.5
128.06258	3.7
129.07007	19.6
131.08577	24.7
133.06506	7.3
133.10101	6.6
137.05952	3.9
139.07521	3.0
143.08551	11.0
145.04913	3.3
145.06537	3.2
145.10120	9.1
147.08043	52.6
147.11671	9.0
151.03922	2.1
151.07457	4.3
157.06499	7.1
157.10176	4.0
159.08032	4.1
161.05917	10.9
161.09593	6.2
161.13249	7.7
165.09146	4.8
167.07097	2.8
171.11696	20.0
173.13278	4.0
175.07544	14.5
179.06995	12.3
181.10197	2.5
187.91617	2.2
189.09119	7.6
189.12720	16.6
199.11169	16.3
201.12837	3.7
203.07004	4.4
207.06491	4.3
207.13812	10.5
217.10071	4.7
217.12227	100.0
218.12581	5.1
221.08043	5.6
227.54178	2.1
235.13280	75.3
236.13664	4.6
245.11719	40.2
246.12085	2.7
263.12787	52.1
311.01743	3.2
341.10205	3.3
348.08377	2.2
405.13037	2.2
442.23062	6.4
460.24332	11.1
461.05185	2.9
461.23279	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03254	0.5
55.05470	0.6
61.02922	0.8
63.28617	0.6
64.58621	0.5
66.48259	0.5
67.05497	0.7
69.03418	1.8
70.56846	2.1
71.04968	0.6
81.03400	0.6
83.04987	0.8
85.02894	3.9
91.05442	0.8
93.07044	0.8
95.04939	0.6
95.08608	4.1
97.02864	1.8
97.06525	1.7
98.23306	0.6
105.07022	0.8
109.02879	0.7
119.08574	0.8
121.06530	0.7
123.08065	53.7
124.08427	1.1
129.07043	0.6
131.08540	0.7
135.08049	0.6
137.06071	0.9
145.04968	0.8
147.08051	1.4
159.11774	0.7
161.09505	0.7
165.09111	100.0
166.09444	3.0
171.11720	0.6
173.09601	0.9
175.11064	1.3
177.09003	0.8
187.11142	1.2
199.11166	1.7
203.10660	1.4
205.08533	1.3
215.10625	1.0
233.11742	2.9
245.11717	1.9
263.12796	18.9
264.13168	1.2
281.13834	1.3
327.81699	0.6
400.31000	0.6
409.31619	0.7
433.37256	0.6
442.25885	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.3
53.03954	0.6
65.36242	0.2
69.26925	1.3
69.27338	0.5
74.21382	0.2
77.03912	0.3
79.05499	3.1
81.79737	0.2
95.04971	0.8
103.05450	2.3
105.07027	100.0
106.07380	3.1
121.51107	0.2
122.09664	45.5
123.10001	1.4
135.39435	0.3
173.09007	0.3
178.37123	0.3
246.75584	0.3
299.01157	0.3
460.17868	0.3
461.16367	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
53.61012	2.1
55.05501	10.4
66.30762	2.1
67.05511	14.1
69.07050	7.0
69.81879	12.2
79.05490	10.9
81.07049	13.6
83.04992	17.9
91.05482	16.9
93.07040	17.4
95.04960	5.5
95.08611	26.8
97.06526	3.0
105.07047	14.1
107.04967	2.7
107.08572	15.0
109.06500	3.0
109.10161	4.0
111.04434	11.7
111.08076	10.3
117.06995	4.6
119.08589	15.8
121.06503	5.4
121.10109	7.7
123.08093	6.8
125.09840	2.5
128.06216	6.3
129.06989	6.7
131.08566	8.7
133.10152	9.6
135.08063	7.8
135.11618	3.5
137.06027	3.5
139.07582	3.5
141.06989	3.8
142.07796	4.2
143.08582	14.8
145.10141	7.8
147.08073	6.7
147.11650	6.7
153.07056	4.0
155.08533	18.4
156.09085	7.2
157.10144	17.3
159.08058	6.1
159.11716	8.5
161.09637	7.7
161.13313	2.7
163.11247	3.9
165.07066	4.6
167.08470	9.8
168.09273	4.4
169.10143	17.2
170.10704	5.2
171.08032	3.2
171.11694	9.9
172.12039	3.9
173.09644	6.4
175.11220	4.3
175.14813	3.7
178.07799	3.1
179.08517	10.7
180.09143	2.7
181.10126	8.6
183.08038	3.8
183.11697	10.7
184.12495	3.3
185.09621	7.3
185.13196	6.0
187.11221	5.5
192.09279	4.0
193.10127	8.2
194.10777	3.9
195.08002	4.8
195.11699	13.3
196.12123	6.7
197.09569	6.6
197.13324	7.0
199.11201	9.1
199.14822	3.2
200.11522	3.0
203.08623	3.5
204.09395	4.1
205.10213	4.7
206.10878	9.8
207.07954	2.7
207.11646	17.2
208.12227	7.0
209.09596	5.8
209.13153	12.6
211.11227	3.9
211.14754	5.4
216.09296	3.2
217.10126	6.2
217.16019	2.5
218.10875	3.8
219.11697	10.9
220.12244	5.8
221.13243	18.7
222.13834	4.2
223.14742	6.2
224.11929	4.3
225.12704	4.7
225.16457	2.9
227.14153	3.7
230.10915	4.8
231.11610	8.2
232.12263	9.4
233.09538	5.3
233.13280	11.4
234.13814	3.5
235.14743	5.7
237.12642	4.7
237.16422	4.7
238.13106	3.8
239.14403	5.6
243.11546	3.8
244.12254	5.7
245.13138	8.5
246.13652	5.8
247.11089	4.7
247.14746	7.7
248.11781	3.5
248.15346	5.5
249.16423	4.9
251.14282	4.1
253.15852	6.7
255.13879	3.2
258.13766	4.4
259.11191	4.5
259.14706	9.4
260.11789	2.9
261.12616	6.3
261.16385	7.8
262.13562	2.6
262.16858	2.8
263.14285	7.9
263.17990	3.8
264.14948	4.0
265.12222	2.8
265.15701	3.6
267.13837	7.6
267.17517	8.7
268.14212	4.3
269.19073	7.1
271.14661	4.4
273.16119	4.8
274.16962	3.2
275.14059	3.6
275.18005	5.3
276.14777	3.2
287.14261	2.9
289.15891	3.0
291.13828	3.1
293.19006	4.2
303.17316	8.3
304.17831	5.0
305.18796	3.9
306.16150	3.4
307.17007	3.8
308.21365	7.6
318.19464	3.2
319.16931	3.5
320.17313	5.3
321.18488	10.5
323.20148	4.7
328.17703	3.6
346.19061	6.0
349.21622	7.2
361.21146	3.1
367.22665	30.2
368.23538	3.2
389.24786	4.2
400.23975	2.7
401.24728	5.0
407.25812	72.2
408.25961	6.8
413.97281	2.9
414.25159	4.9
415.26172	6.3
418.24570	5.2
424.23584	3.2
432.26108	4.0
433.26886	2.5
442.24557	23.9
443.25836	22.1
460.25616	100.0
461.26993	96.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	11.4
69.12766	5.6
69.12988	16.4
69.13387	33.9
79.05501	6.8
81.07055	12.2
83.04975	11.1
91.05495	11.5
93.07035	17.7
95.08609	24.3
104.34019	5.6
105.07030	14.8
107.08559	6.2
109.10211	7.4
111.04472	5.9
119.08572	11.1
120.85430	5.4
131.08589	9.6
143.08543	10.1
145.10068	8.9
147.08057	5.7
147.11778	6.0
155.08559	17.6
157.10075	9.1
159.11711	6.6
165.07025	7.4
169.10146	6.6
171.11662	8.6
179.08595	9.4
183.11787	7.6
193.10161	10.9
197.13271	7.9
205.10106	8.3
207.11678	20.9
209.13269	8.7
211.11256	6.7
215.10603	5.7
219.11719	10.5
220.12425	10.5
221.13275	15.3
223.14828	6.1
225.12700	5.7
231.11700	11.7
233.13249	11.3
235.14812	8.9
245.13249	9.3
245.15550	7.7
246.13931	6.7
251.68599	6.8
259.14804	8.5
261.12671	9.1
261.16266	15.7
265.15781	6.1
303.17392	12.6
321.18576	9.6
407.25775	31.8
408.26288	6.1
415.26172	9.9
443.25998	34.7
460.25632	18.6
461.26926	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01863	0.9
55.05514	7.6
56.04790	0.3
56.05041	4.8
57.03439	1.2
57.07072	2.1
58.02969	1.3
60.04520	1.8
61.02922	1.9
65.03934	1.0
65.37535	0.3
67.04235	0.5
67.05505	14.0
67.75698	0.2
68.05029	2.6
69.03076	0.4
69.03428	5.0
69.07070	7.7
71.04989	0.6
71.08644	1.1
71.31609	0.4
72.04520	1.0
73.02917	0.7
74.06075	0.4
79.05494	9.3
80.05017	3.1
80.05806	0.5
81.03429	2.5
81.05801	0.4
81.07059	13.1
82.06113	0.5
82.06580	7.2
82.07343	0.3
83.04966	0.9
83.07325	0.2
83.08621	4.2
84.04501	0.4
84.08126	0.7
85.02905	10.7
86.06055	1.5
86.88373	0.2
87.04446	0.8
91.03962	0.5
91.05481	5.9
92.05817	0.2
93.05787	0.8
93.07047	8.0
94.06565	6.1
95.04974	1.4
95.07371	1.2
95.08607	10.0
96.04470	0.4
96.07551	0.3
96.08134	4.9
96.08802	0.4
97.02899	4.0
97.06520	0.5
97.10176	2.7
98.06066	1.3
99.04444	1.0
100.07615	1.4
103.05466	0.3
105.07043	4.1
106.06572	0.6
107.07372	0.4
107.08591	3.5
108.08120	1.5
109.02896	1.1
109.06542	0.4
109.08965	0.2
109.10152	4.0
110.09663	0.4
111.04442	0.3
111.08085	0.2
111.11746	0.3
112.07616	0.5
114.09197	0.3
117.06996	0.6
119.08569	3.1
120.08121	0.5
120.08942	0.3
121.08841	0.3
121.10146	3.1
122.09705	1.3
123.08058	0.6
123.11700	1.0
124.07603	0.3
124.11267	0.5
126.09202	0.3
127.03915	2.2
129.06917	0.2
131.08556	0.5
131.79453	0.2
133.06465	0.3
133.10129	2.6
134.09651	0.3
135.11687	2.0
135.16252	0.2
136.07599	0.3
136.11217	0.8
137.05884	0.3
137.13229	0.5
140.10706	0.7
143.08580	0.4
145.04967	0.9
145.10101	0.4
147.11690	0.7
154.12271	0.5
155.08521	0.4
157.10114	0.4
159.08055	0.3
168.17427	0.2
169.03885	0.2
169.10101	0.3
170.65492	0.2
173.09621	0.3
175.11134	0.3
182.18939	0.3
185.09563	0.3
187.11156	0.3
191.17899	0.3
195.11679	0.3
197.09732	0.3
207.11665	0.3
211.22142	0.3
219.11676	0.3
221.13200	0.4
233.22568	0.2
234.22110	0.4
245.22626	0.9
250.25302	5.1
251.25659	0.5
260.23709	0.6
262.25299	27.1
263.25906	1.4
264.26883	3.2
274.25333	0.3
280.26343	100.0
281.26672	6.6
292.26230	0.3
298.27429	3.6
299.27969	0.2
321.18372	0.3
322.27460	0.9
379.40625	0.2
394.29553	0.7
401.17505	0.3
401.24634	0.2
406.29489	0.3
412.30701	1.3
424.30426	2.2
442.31625	6.6
443.25781	0.6
443.31885	0.5
460.25769	0.6
460.32474	3.6
461.26923	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
65.31735	10.4
71.31745	14.6
78.88210	9.7
81.07014	11.8
83.21989	10.4
85.65370	11.0
91.05454	10.1
93.07037	14.9
105.07030	13.7
142.47533	10.6
155.08589	9.7
157.10149	11.6
187.35872	10.2
221.13327	15.8
443.25580	14.1
460.21494	13.0
461.20190	22.0
461.26718	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	14.8
59.05226	8.2
67.05514	15.0
67.42398	8.9
69.07079	20.4
81.07072	36.8
83.08636	10.6
84.38461	8.6
89.02038	8.9
93.07058	20.8
95.08627	27.6
98.22665	37.4
98.23383	32.6
101.58627	8.4
105.07015	14.6
107.02284	10.0
107.08585	11.2
109.10168	10.2
118.81920	8.4
119.08579	25.6
123.11726	11.9
129.07092	12.7
131.08537	8.7
137.05962	10.2
143.08546	11.3
149.21100	8.8
151.07578	10.5
153.05327	10.6
155.08530	20.6
157.10165	11.1
164.12329	10.8
167.07074	11.4
169.10184	15.0
189.92197	11.0
195.11621	9.3
207.11641	9.6
208.11978	11.0
209.13171	14.5
213.09229	9.6
231.10948	9.6
257.93658	10.3
261.16406	12.5
347.66409	9.8
460.25391	52.8
461.27017	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01851	0.5
57.03440	0.6
65.00620	0.4
69.67850	1.6
73.04754	0.5
77.98645	0.5
79.05484	1.0
81.03428	0.5
81.07064	0.5
85.02891	0.7
95.04964	1.6
105.04527	0.5
107.04955	100.0
108.05299	2.0
119.08584	0.7
134.87439	0.4
137.06055	0.7
148.08382	0.4
151.03923	0.8
151.07611	0.4
153.05489	0.4
161.06001	0.6
165.01837	1.7
167.06927	0.5
189.05455	2.7
191.14249	0.5
193.04980	1.0
203.07048	1.3
204.04285	0.5
205.04964	19.0
206.05573	1.4
217.04929	3.1
217.08488	0.4
227.07173	0.7
229.05009	1.0
230.05664	0.9
231.06493	6.1
232.06816	0.6
234.05283	0.7
235.03641	0.6
235.06012	12.1
235.16896	0.7
236.06372	0.6
245.08083	3.0
254.05536	0.4
255.06606	0.9
259.06021	3.5
265.14380	1.1
271.05966	2.2
273.07556	0.5
282.04962	0.7
283.06268	1.0
299.09061	1.7
301.07040	1.5
311.09109	36.8
312.09521	2.2
323.09082	1.6
323.76212	0.4
335.09036	0.8
337.10669	2.9
341.10184	28.6
342.10513	1.7
351.12308	2.6
351.36356	0.4
356.46970	0.4
361.10626	0.9
365.10190	20.6
366.10699	1.3
377.10233	4.5
378.10294	0.4
379.11853	1.0
389.10193	6.5
395.11273	9.3
396.11606	0.6
407.11270	8.5
407.16165	0.3
408.11481	1.0
425.12277	8.7
443.13330	4.5
461.14453	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44070	0.3
57.05388	0.3
67.34528	0.3
68.44503	0.3
69.03434	0.4
85.02921	0.5
89.06006	0.8
107.04973	0.5
123.04478	0.5
144.08063	1.2
159.88087	0.4
167.05649	0.5
167.06946	0.4
192.02531	0.3
247.13251	0.4
257.07019	0.4
261.33066	0.4
265.14362	0.6
283.17429	1.0
296.14441	0.3
317.08426	1.3
329.08142	0.7
329.12051	12.6
330.12222	0.6
359.03018	0.9
417.17612	0.5
461.16263	100.0
462.16586	5.8
471.42615	0.4
478.23071	0.5
487.47974	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.163
Annotation	N-(2-phenylethyl)-Indomethacin amide
Peak:m/z	Relative Intensity
53.44070	0.3
57.05388	0.3
67.34528	0.3
68.44503	0.3
69.03434	0.4
85.02921	0.5
89.06006	0.8
107.04973	0.5
123.04478	0.5
144.08063	1.2
159.88087	0.4
167.05649	0.5
167.06946	0.4
192.02531	0.3
247.13251	0.4
257.07019	0.4
261.33066	0.4
265.14362	0.6
283.17429	1.0
296.14441	0.3
317.08426	1.3
329.08142	0.7
329.12051	12.6
330.12222	0.6
359.03018	0.9
417.17612	0.5
461.16263	100.0
462.16586	5.8
471.42615	0.4
478.23071	0.5
487.47974	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1821
Annotation	Bipinnatin H
Peak:m/z	Relative Intensity
53.03936	2.8
55.01859	3.5
55.05512	11.7
57.03425	2.8
64.69779	1.2
65.03921	2.6
67.05510	25.5
68.05838	1.8
69.03421	4.4
69.07067	8.8
69.41938	9.7
79.05500	20.7
81.03416	6.6
81.07056	23.6
81.61517	1.4
82.07441	1.2
83.04632	1.1
83.04989	11.8
83.08605	5.2
85.06542	3.5
89.72764	1.3
91.05483	29.0
92.05811	2.9
93.07051	23.0
94.07365	3.7
95.04979	8.3
95.08601	21.2
96.08929	3.7
97.06530	3.2
97.10154	3.6
99.04408	1.7
99.08057	1.8
103.05454	1.4
105.06379	1.9
105.07031	23.4
106.07355	2.4
107.04929	4.0
107.08604	15.8
109.06510	5.3
109.10149	5.4
111.04446	6.1
111.08089	8.0
115.05469	2.6
117.07018	13.4
119.08596	18.6
120.08953	2.5
121.06498	8.0
121.10146	5.7
123.04464	1.4
123.08068	5.2
123.11732	2.5
128.06206	5.1
129.07004	12.6
130.07314	1.9
131.04861	1.9
131.08568	18.5
132.08905	1.9
133.06482	4.5
133.10143	12.7
134.10432	2.2
135.08049	7.4
135.11671	3.4
136.08426	2.2
137.05957	2.2
137.09610	2.2
139.07559	3.6
141.06976	7.5
142.07767	2.9
143.08559	14.4
144.08879	2.0
145.06470	5.6
145.10149	11.2
146.10452	1.8
147.08069	6.8
147.11691	4.9
148.08324	1.3
149.09691	2.7
149.13239	2.5
151.07498	1.7
153.07047	2.2
154.07709	2.9
155.08572	14.2
156.06314	1.2
156.09053	2.8
157.10139	13.5
158.10405	2.5
159.08086	6.9
159.11725	6.3
160.08705	1.8
161.09596	8.3
162.09950	1.8
163.11148	1.3
165.07043	3.0
166.07509	2.3
167.08504	4.7
169.05060	1.8
169.10173	11.9
170.10480	4.6
171.07996	2.4
171.11819	8.2
173.09636	5.5
173.13264	1.9
175.11176	3.1
177.12723	1.6
179.08476	7.0
180.09216	3.0
181.10130	8.0
182.10722	2.1
183.07962	2.1
183.11690	5.2
185.09636	3.5
185.13249	4.4
187.11176	3.1
187.14714	1.5
188.08348	1.8
188.11703	1.3
189.09050	2.3
189.11096	1.7
191.08569	1.3
191.10556	1.6
191.14467	1.6
192.09288	3.2
193.10120	6.8
193.12138	1.4
194.10678	3.3
195.08031	2.3
195.11737	7.4
196.08479	2.0
196.12129	1.8
197.09540	4.1
197.13297	6.6
198.10013	2.6
199.11067	4.4
199.14848	2.7
200.11473	1.6
201.09096	2.5
201.12767	1.7
203.10555	3.4
204.11000	4.5
205.10078	3.1
206.10927	3.3
207.11664	9.7
208.08736	1.4
208.12137	3.1
209.09671	2.3
209.13185	5.5
210.13628	2.3
211.11153	3.5
211.14847	2.9
213.09097	2.0
213.12918	1.7
215.10742	3.3
215.14374	2.1
217.10130	1.7
218.10771	2.0
219.11688	7.0
220.12273	5.7
221.09729	1.8
221.13295	6.6
222.10175	1.8
222.13834	2.1
223.11119	2.3
223.14699	4.4
225.12656	1.5
226.12961	1.3
230.10925	1.8
231.11571	4.6
232.12369	2.7
233.13159	4.6
234.13719	3.1
235.11089	2.3
235.14781	3.2
236.11658	1.5
236.15463	1.7
237.09189	1.7
237.12617	4.1
238.13159	2.6
239.14110	4.7
240.14668	3.2
241.12296	2.1
241.14848	1.8
243.11632	3.2
244.12349	2.7
245.13170	3.8
246.10278	1.3
246.13628	3.6
247.14664	5.9
248.11725	2.1
248.15318	2.2
249.12616	2.9
251.14261	2.9
252.14597	2.4
257.04492	2.8
257.13077	1.7
257.15497	2.1
258.13651	2.2
259.05853	2.6
259.10904	1.5
259.14536	5.9
260.11899	1.9
260.15237	2.4
261.12613	1.5
261.16278	5.1
262.13098	3.0
262.16653	1.5
263.10596	1.6
263.14096	4.1
264.14728	2.0
265.12238	1.8
267.13736	2.4
270.13782	1.7
272.06744	2.6
273.16110	2.4
274.16650	2.5
275.05411	5.0
275.17447	2.5
276.14941	1.6
276.18195	2.7
277.18973	1.6
278.12643	1.5
278.16037	1.5
279.06238	1.7
279.16931	1.2
283.06128	1.7
283.09650	3.0
285.15955	2.1
287.13925	1.5
287.17670	2.2
289.19293	1.4
291.17163	2.4
293.07983	1.7
294.08743	1.9
295.16907	1.7
297.07880	1.5
298.12878	1.7
300.06186	2.5
300.14798	1.8
301.07007	1.5
301.15390	2.6
301.18933	1.4
303.05154	1.9
303.08554	2.7
303.16925	2.8
305.18469	2.9
307.16638	3.1
310.08432	1.6
311.09018	3.8
311.12466	1.7
313.06964	1.8
315.20770	2.4
317.18704	1.8
318.07388	2.2
319.16580	2.2
320.17325	2.6
321.18295	6.6
323.20010	2.5
325.07169	1.9
325.10681	6.1
326.11404	1.9
329.10208	1.7
329.18668	2.4
333.09619	13.6
333.21982	2.9
337.10672	4.1
339.08594	3.4
340.12985	4.3
341.06445	1.8
341.13602	2.3
341.24698	2.1
343.11588	1.5
344.20850	1.9
347.19855	4.0
348.20316	1.9
350.22488	1.6
351.23260	11.2
353.10107	3.6
354.10889	3.3
356.08719	1.8
361.21298	1.4
362.22174	2.3
368.12573	1.7
369.13644	6.4
369.17322	1.8
369.24393	10.2
371.11145	15.8
372.11816	1.6
373.16620	1.9
375.10751	2.8
383.23700	1.7
385.12762	2.8
386.13681	7.2
387.25098	5.5
401.15961	60.9
401.24310	3.5
402.16174	5.7
415.25980	8.0
417.27197	4.7
419.25018	4.6
425.24252	8.4
432.26044	2.1
433.26526	16.7
442.24255	1.8
443.24924	28.4
460.25644	6.4
461.26477	100.0
462.27179	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86113	0.7
53.03949	2.1
55.01877	2.1
55.05508	1.9
57.03445	1.2
64.75134	0.8
66.24562	0.8
67.05508	4.5
67.33585	0.8
68.99793	1.0
69.03426	4.9
69.07084	1.4
69.92719	2.6
71.01389	1.0
71.04967	0.9
74.50677	0.9
79.05488	7.7
81.07056	22.0
83.04986	3.9
91.05492	6.9
93.07043	6.6
95.04967	2.4
95.08611	4.7
97.02880	5.1
97.06538	3.0
99.04449	2.9
104.55061	0.8
105.07017	5.7
107.04951	2.2
107.08600	4.4
109.02892	2.0
109.06514	7.3
109.10161	1.2
111.04489	1.2
111.08098	1.3
115.05506	1.9
117.07032	3.2
119.08566	4.1
121.06502	2.4
121.10165	1.6
123.08076	3.0
125.05997	1.1
128.06239	3.4
129.07001	3.8
131.08549	4.7
132.08987	1.0
133.06479	1.2
133.10164	2.9
135.08066	2.3
137.05977	16.6
139.07521	1.1
141.07037	2.5
142.07776	2.0
143.08559	7.2
144.05692	1.6
145.06485	10.8
145.10114	2.0
146.10439	1.0
147.08028	3.5
149.06018	1.2
151.07483	1.2
152.06253	1.2
153.07066	1.8
154.07712	1.3
155.08537	7.8
156.09117	1.5
157.06505	3.3
157.10139	3.0
158.10582	1.1
159.08072	4.6
159.11743	1.6
161.09634	2.2
163.07550	1.3
165.07034	3.9
166.07755	1.4
167.07227	0.8
167.08577	3.2
168.09190	0.8
169.06477	2.4
169.10126	3.5
170.07291	1.9
170.10484	0.9
171.08023	12.0
171.11682	1.6
172.08786	0.9
173.05925	1.4
173.09647	2.7
173.13387	1.2
175.07610	1.6
176.33981	0.8
178.07790	3.7
179.08577	7.3
180.09262	1.7
181.06471	3.6
181.10072	3.3
182.07228	2.8
183.08072	8.4
183.11624	1.9
184.08746	1.2
185.08211	1.0
185.09578	4.6
185.13301	1.3
187.07590	1.4
189.07047	2.0
190.07770	2.0
191.08499	5.0
192.09294	4.4
193.10149	8.2
194.07278	2.8
194.10762	2.0
195.08086	5.8
195.11732	3.5
196.08821	2.4
196.12027	1.0
197.09608	5.6
199.07578	2.6
199.11180	1.8
201.09125	1.2
201.12817	1.1
202.07726	4.7
203.08557	6.0
203.10446	1.5
204.09315	4.0
205.06625	1.9
205.10120	9.9
206.07301	3.2
206.10831	3.7
207.08127	5.4
207.11578	6.4
208.08810	3.7
208.11966	4.5
209.09570	9.3
209.13080	1.3
210.13599	1.1
211.07568	1.9
211.11168	3.0
213.09143	1.8
213.12721	2.4
215.08594	4.0
216.09351	4.4
217.10136	9.5
217.12074	1.4
218.07263	2.6
218.10860	4.4
219.08047	6.9
219.11618	6.0
220.08801	5.7
220.12259	2.4
221.09616	17.4
221.13019	4.6
222.10291	5.0
222.13736	2.9
223.07544	1.6
223.11209	5.1
223.13545	0.8
224.08209	1.2
224.11792	1.1
225.09132	1.7
227.08611	1.9
228.09311	2.8
229.10191	5.0
230.10805	2.8
231.08051	3.3
231.11780	5.3
232.08855	3.9
232.12370	2.5
233.09622	12.6
233.13246	4.0
234.10225	5.2
234.13809	1.5
235.07616	1.5
235.11172	10.8
236.08266	1.4
236.11868	2.7
237.09111	2.8
237.12698	2.9
238.09895	1.0
239.10707	1.2
241.10228	2.0
242.10834	6.5
243.07837	1.2
243.11697	3.7
244.08781	1.9
244.12259	1.5
245.09618	15.1
245.13245	3.5
246.10406	11.4
246.13882	2.0
247.07509	1.4
247.08568	1.0
247.11166	10.7
247.14868	5.1
248.08263	2.3
248.11847	2.8
249.09065	3.1
249.12807	6.9
249.15309	1.0
249.16376	1.2
250.09897	1.5
250.13350	1.7
251.10689	2.5
251.14392	1.4
253.12256	1.6
255.11514	1.5
256.12186	1.3
257.09537	1.9
257.13239	6.3
259.11203	12.0
259.14423	1.8
260.08481	0.9
260.11914	5.5
260.14560	1.2
261.09232	2.8
261.12775	13.1
261.15671	1.3
261.16330	1.1
262.09943	1.7
262.13400	3.2
263.10736	6.7
263.14337	2.4
263.17709	0.9
264.11404	2.8
265.12357	2.0
265.15891	2.3
266.09064	1.3
267.13895	1.8
268.14194	3.8
269.09607	2.5
269.14478	3.0
270.10406	2.6
271.11176	2.9
271.14758	2.5
272.11761	2.6
273.09470	1.7
273.12735	5.2
273.15887	1.2
274.13483	2.5
275.10962	2.2
275.14291	17.7
275.17273	1.5
276.14859	2.6
277.09171	1.3
277.12265	12.7
277.15854	5.5
278.12875	1.1
281.11798	1.7
283.11008	1.5
284.11978	1.6
285.12744	7.7
286.13354	1.4
287.10663	5.5
287.14172	2.7
288.11465	3.4
289.12250	3.2
289.15674	1.8
291.10422	1.8
291.13806	3.8
291.17224	1.6
293.11789	3.2
293.15323	2.6
295.13699	1.0
295.17029	1.0
296.11966	1.0
297.12753	1.9
298.13446	1.4
299.10806	2.0
299.14319	3.2
300.11633	0.9
301.12350	2.5
301.15784	1.7
303.10281	2.8
303.13724	16.3
304.14108	1.9
305.11734	33.0
305.15131	2.0
306.12238	3.7
307.13327	2.8
315.13821	1.6
317.15195	4.7
319.13260	3.5
319.16989	3.6
321.11575	1.1
321.14917	7.8
321.18225	1.6
327.13882	2.0
329.15076	1.1
331.13251	1.9
333.14786	3.4
335.16559	2.7
339.13696	1.9
343.13321	3.8
345.14890	7.8
346.15149	1.0
347.16351	1.2
349.21686	1.1
351.16101	2.2
351.22186	2.9
355.16949	2.1
357.14926	2.2
359.16370	3.0
361.14410	1.6
363.15988	9.9
364.16357	1.5
367.12988	1.0
373.14182	1.2
373.18015	9.4
375.15704	2.1
375.19632	3.9
383.16391	5.0
385.14374	3.1
391.18991	2.4
397.18161	1.5
401.17462	76.9
401.23483	2.3
402.17758	9.3
403.15405	8.4
404.15457	1.2
415.19070	4.9
415.25800	2.5
417.20773	5.1
417.25400	1.0
419.18625	5.5
425.17398	1.8
425.24197	1.1
433.20062	2.1
443.18491	13.4
443.25421	7.3
444.18961	1.7
460.25702	2.1
461.19507	67.9
461.26053	100.0
462.19812	8.2
462.26489	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.0
67.05493	0.4
69.03449	0.4
69.34223	2.4
73.02885	0.5
74.40092	0.4
85.02905	1.1
91.05466	1.1
93.07048	0.4
94.76653	0.5
97.02911	0.6
105.07011	4.0
117.07022	0.5
119.04956	0.6
131.08609	0.5
133.04948	0.6
133.10129	24.6
133.70807	0.4
137.06012	0.9
138.64575	0.4
145.10081	0.5
151.07564	1.9
156.03955	0.5
163.07596	0.5
167.83641	0.4
181.06905	0.4
185.04247	1.1
191.10759	0.6
223.72002	0.5
229.06789	1.1
317.08438	45.6
318.08932	2.4
404.69662	0.5
436.02365	0.5
461.06509	2.4
461.19922	100.0
462.20270	6.9
476.62051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.0
67.05493	0.4
69.03449	0.4
69.34223	2.4
73.02885	0.5
74.40092	0.4
85.02905	1.1
91.05466	1.1
93.07048	0.4
94.76653	0.5
97.02911	0.6
105.07011	4.0
117.07022	0.5
119.04956	0.6
131.08609	0.5
133.04948	0.6
133.10129	24.6
133.70807	0.4
137.06012	0.9
138.64575	0.4
145.10081	0.5
151.07564	1.9
156.03955	0.5
163.07596	0.5
167.83641	0.4
181.06905	0.4
185.04247	1.1
191.10759	0.6
223.72002	0.5
229.06789	1.1
317.08438	45.6
318.08932	2.4
404.69662	0.5
436.02365	0.5
461.06509	2.4
461.19922	100.0
462.20270	6.9
476.62051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.1
55.05509	2.9
67.05499	3.3
69.03955	11.4
69.07072	4.4
79.05484	4.0
81.03396	2.5
81.07053	2.9
83.05011	1.8
91.05471	4.2
93.07038	3.2
93.87075	1.0
94.81468	1.3
95.04945	1.6
95.08616	4.6
97.06589	1.1
97.41740	1.2
104.96162	1.0
105.07021	5.2
105.19151	1.0
107.08590	2.3
109.10101	1.5
111.08035	1.5
119.08606	2.1
121.10193	1.4
123.04465	1.3
123.08041	1.9
128.06253	1.6
129.07019	2.5
131.08568	2.7
133.10146	2.7
135.08113	1.2
137.05994	1.9
143.08542	1.6
145.10124	1.5
147.08067	1.3
147.11667	1.5
155.08575	1.7
157.10222	1.3
159.08022	2.1
163.11194	1.2
164.20821	1.4
167.08443	1.1
169.10123	1.1
171.07951	1.4
173.09706	1.3
173.13174	1.1
179.08632	1.3
180.09315	1.2
181.10106	1.7
191.10715	1.3
192.09436	1.2
195.07950	1.8
195.11684	2.2
206.10846	1.3
207.11563	1.8
209.13087	1.4
219.10051	1.5
221.13310	1.8
223.07588	1.5
223.11183	1.5
225.09125	2.1
226.06212	1.6
227.07068	4.2
229.08501	2.4
235.11244	2.2
235.14503	1.2
237.08894	1.5
238.06229	2.1
238.09837	1.3
239.07120	2.9
240.07794	1.7
241.08641	2.7
242.09355	2.1
243.06557	3.5
247.14755	1.6
249.08894	1.3
250.06491	1.3
250.09822	1.2
251.07069	2.1
251.10568	4.3
252.07872	1.5
252.11494	2.1
253.08603	3.8
254.05876	1.5
254.09306	3.2
255.06528	4.2
256.07388	1.8
257.08130	4.6
258.08804	2.3
259.06003	1.7
261.09033	1.9
263.10638	2.9
263.14304	1.5
264.07883	2.3
264.11325	2.7
265.08670	4.2
265.12222	3.0
266.05719	1.5
266.09369	1.5
267.06537	5.5
267.10165	2.8
267.13800	2.1
268.07141	1.6
268.10797	1.9
269.08099	4.9
269.11349	1.6
270.08786	4.9
271.09473	3.4
272.06796	2.5
273.07672	2.4
277.08539	4.1
277.12204	1.9
278.09357	2.7
278.12906	1.6
279.06873	2.2
279.10135	8.7
279.13351	2.4
280.07614	1.6
280.10840	5.2
281.08087	7.8
281.11417	2.5
282.08792	5.2
283.06024	4.7
283.09741	2.3
283.13193	1.5
284.06866	2.3
284.10464	3.7
285.07544	4.3
285.11224	4.1
286.08383	2.9
287.05453	1.3
287.09140	3.1
291.10223	5.6
292.10843	2.9
293.08066	3.4
293.11713	5.6
294.08972	2.1
294.12531	4.4
295.06497	1.3
295.09686	5.4
295.13300	9.1
296.07147	1.9
296.10413	6.1
297.07553	9.2
297.10815	2.4
298.08368	10.6
299.09091	6.6
299.12277	1.5
301.06985	3.6
301.10529	2.6
302.07761	2.7
303.08704	1.8
303.17365	1.6
305.08136	1.9
305.11765	2.9
306.12524	3.9
307.09625	7.1
307.13202	3.7
308.10477	7.4
308.13586	1.6
309.07541	3.6
309.11200	4.4
309.14828	5.0
310.12015	1.7
310.15442	1.7
311.09058	3.1
311.12738	4.9
312.09933	6.8
313.10657	15.7
314.07907	2.0
314.11523	4.4
315.08658	4.4
315.12363	2.0
316.09503	2.1
317.10263	7.9
318.10977	14.0
321.11139	6.3
321.18686	1.5
322.11963	5.5
323.09152	3.2
323.12692	23.5
324.09839	4.5
324.13470	4.3
325.07062	2.6
325.10672	3.9
326.15146	3.1
327.12332	10.9
327.15851	2.1
328.13080	4.9
329.10178	3.6
330.10922	6.6
331.11624	4.5
332.12650	8.7
333.13382	3.4
335.12601	2.0
337.10672	2.1
337.14313	18.7
338.11441	1.8
338.15042	13.7
339.08578	2.2
339.12250	10.4
339.15857	3.5
340.09204	3.2
340.12979	3.7
341.10278	7.7
341.13721	1.5
341.17487	3.9
343.08096	3.3
343.11890	2.7
344.08609	2.4
344.12384	2.6
345.10471	1.0
345.13400	11.4
349.10516	2.7
351.15839	2.0
353.13812	5.0
354.14566	7.3
355.11746	2.6
355.15463	16.8
356.12369	6.6
357.13144	3.1
358.10349	2.0
359.11084	4.0
359.14911	9.7
360.11688	1.6
364.12845	1.3
365.13739	2.7
368.16190	2.5
369.16998	33.4
370.17706	26.3
371.14764	5.1
373.12756	9.4
374.13293	2.0
375.14365	1.8
379.15295	4.8
381.13257	2.7
382.14148	2.3
386.17310	14.3
387.14389	4.1
396.15656	7.6
397.16345	2.5
400.18686	1.4
401.19608	71.7
402.19934	6.1
411.18027	24.8
412.18747	25.8
413.19296	2.6
415.26328	1.5
425.19592	1.8
443.20645	100.0
444.20953	7.9
461.15457	4.5
461.27029	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.01855	4.6
55.05508	10.0
56.05836	1.4
57.03423	2.3
65.03924	2.9
67.05502	19.9
68.05817	2.1
69.03407	4.4
69.07053	2.9
70.26323	1.1
70.26686	3.4
71.05008	1.2
71.48000	0.8
77.03941	1.1
79.05075	1.7
79.05494	16.4
80.05811	2.2
81.02987	1.4
81.03423	20.4
81.07061	11.8
82.03745	8.1
82.07395	1.5
83.04963	7.8
83.08616	5.5
84.08923	1.6
89.64074	0.9
91.05479	26.0
92.05803	2.8
93.07036	17.1
95.04968	13.2
95.08614	10.4
96.05294	2.1
97.06530	2.8
97.10139	3.1
103.05466	1.8
103.16701	1.2
105.07032	34.3
106.07330	3.6
107.04965	4.9
107.07895	1.5
107.08562	7.5
108.05276	1.1
109.06494	2.8
109.10123	3.6
111.04414	1.8
111.08074	7.2
115.05438	3.2
116.23378	1.1
117.07040	6.4
119.04922	1.3
119.07790	1.0
119.08578	11.7
120.08911	1.9
121.06516	11.4
121.10094	3.1
123.04391	1.5
123.08062	3.6
123.11679	1.4
125.09602	1.6
128.06239	7.3
129.07034	7.6
130.07356	2.1
131.04970	1.5
131.08553	10.1
133.06502	5.2
133.07336	1.1
133.10132	29.0
134.06773	1.2
134.10420	2.0
135.08034	6.9
135.11667	1.5
137.05928	1.3
139.07545	1.1
141.06970	4.0
142.07739	3.6
143.08592	11.8
144.08954	1.1
145.06525	5.8
145.10091	4.4
146.07155	3.9
147.07011	1.4
147.08041	10.6
147.11661	2.7
148.08408	1.1
149.05911	1.2
149.09608	2.9
151.07527	3.6
152.06197	1.7
153.06961	2.2
154.07796	2.0
155.08554	9.6
156.09262	1.5
157.06465	2.3
157.10115	3.5
158.10423	1.6
159.08080	6.3
159.11681	2.2
161.09624	32.0
162.09897	2.0
163.11168	1.1
165.07004	5.3
165.09065	1.5
166.07758	1.9
167.08569	5.8
168.09195	1.0
169.10115	7.5
171.08009	4.2
171.11668	3.4
173.09615	3.9
173.13246	1.4
175.07556	19.8
175.11140	2.2
176.11484	2.2
177.09047	1.4
178.07759	1.8
179.08589	5.7
179.10699	2.3
180.09277	3.2
181.06396	1.4
181.10143	5.1
182.10817	1.5
183.08012	2.4
183.11632	2.9
185.09592	2.5
185.13321	1.6
187.11203	2.3
189.09113	31.2
190.09422	1.5
191.08493	2.4
191.10524	1.7
192.09315	4.4
193.10085	6.4
193.12086	7.1
194.10841	5.1
194.12581	5.5
195.08008	5.3
195.11601	6.6
196.08769	1.7
196.12132	1.1
197.09579	6.7
197.13220	2.3
198.13492	1.1
199.11142	1.8
203.08438	1.3
204.09204	1.6
205.10081	3.4
205.12096	2.0
206.10829	3.0
207.08087	1.4
207.09973	1.1
207.11697	7.8
208.08952	1.1
208.12282	2.7
209.09546	2.9
209.13300	5.4
210.10219	1.1
211.07693	1.4
211.11261	6.1
211.14804	2.2
212.08302	1.1
213.09073	2.3
213.12624	1.2
215.08556	1.2
215.10649	2.4
216.09125	1.5
217.10179	1.9
218.10840	1.3
219.08072	1.6
219.11661	4.1
220.12479	2.2
221.09546	2.5
221.13261	4.6
222.10315	2.5
223.11153	1.9
225.09056	1.8
225.12766	1.7
227.10684	2.2
227.14230	1.9
229.10107	1.9
229.12120	2.0
230.10835	1.2
231.11653	3.1
232.12422	2.1
233.09613	2.4
233.13164	1.2
234.10339	1.7
235.11066	4.2
235.14763	1.2
236.11838	1.1
237.12819	9.0
238.13113	1.2
241.10028	1.4
243.11613	2.3
244.12317	1.8
245.09486	1.5
245.13136	3.5
246.10292	2.2
247.07458	1.4
247.11116	4.0
247.14793	1.6
249.12701	3.6
251.10637	1.3
251.14172	1.2
253.12337	2.0
254.12941	2.1
255.13914	5.6
256.14224	1.2
257.12949	1.3
258.14008	1.3
259.11124	3.0
259.14853	1.7
260.11880	1.5
261.12674	3.1
262.13446	1.2
263.10617	3.3
263.14215	2.8
265.12125	2.1
267.13779	1.6
269.09766	1.1
269.13028	1.6
271.11176	2.0
271.14484	2.1
272.11731	1.2
273.12537	1.9
274.15274	1.7
275.14621	1.6
277.15759	1.3
281.11591	2.5
281.15326	1.1
282.14023	1.5
284.15344	1.3
285.16299	1.9
286.13409	1.2
287.14127	2.0
289.15869	1.9
294.15759	1.1
299.14365	1.4
299.17596	1.7
301.15845	1.6
303.14020	1.5
303.17380	2.5
304.14584	3.2
305.15375	1.1
305.93924	1.0
307.13272	1.4
317.15421	1.8
329.15128	1.3
331.16840	3.2
332.16901	1.1
347.16360	1.7
351.22278	3.2
367.22299	1.4
368.22775	1.8
369.23254	5.2
379.20511	1.4
383.15869	1.5
383.20383	1.4
387.24136	6.2
397.21512	6.0
401.17151	3.6
401.21194	3.6
405.24933	1.5
407.20050	2.3
415.22653	15.6
416.22400	2.5
417.24319	4.7
425.21005	15.6
433.23596	1.3
443.22070	44.4
443.27036	2.0
444.22327	4.7
461.22964	100.0
461.28104	11.2
462.23355	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2687
Annotation	Vielanin B
Peak:m/z	Relative Intensity
53.03959	1.1
53.83330	0.5
55.01883	0.5
55.05507	2.3
64.37473	0.5
67.05498	4.9
69.03438	0.8
69.07066	1.1
69.35962	3.7
72.68590	0.5
79.05498	2.7
81.03437	0.7
81.07053	5.5
83.04992	3.7
83.08598	0.6
91.05468	4.8
93.07039	6.8
95.04974	1.3
95.08607	9.4
97.06550	0.8
98.23361	0.9
103.05524	0.5
105.07030	7.1
107.08589	5.1
109.06499	1.3
109.10192	1.6
109.64285	0.5
111.04472	2.6
111.08090	2.2
113.06028	1.2
115.05480	1.0
116.16741	0.5
117.07024	2.6
119.08575	4.2
121.06587	1.1
121.10155	1.8
123.08073	1.5
125.09627	0.8
128.06233	2.2
129.06987	3.0
131.08553	3.6
133.06458	0.5
133.10170	3.8
135.08070	1.6
135.11633	0.6
136.51428	0.6
139.07498	0.8
141.06947	2.4
141.09074	0.6
142.07747	2.4
143.08571	4.4
145.06473	0.6
145.10135	3.3
147.08040	0.9
147.11665	1.2
153.07027	1.5
154.07788	1.9
155.08556	10.2
156.09343	2.0
157.06618	0.5
157.10115	4.6
159.08090	1.0
159.11739	2.1
161.09662	1.2
161.13412	0.6
165.06964	2.5
166.07811	1.7
167.08553	4.1
168.09309	1.0
169.06274	0.6
169.10153	7.4
170.10822	0.8
171.08080	1.6
171.11743	2.3
173.09653	1.2
175.11174	1.4
178.07784	1.4
179.08577	4.9
180.09306	2.4
181.06544	0.6
181.10112	5.1
182.10954	1.0
183.08055	0.8
183.11652	2.7
185.09637	0.6
185.13242	0.8
187.11229	1.6
189.06892	0.8
189.12779	0.9
191.08585	1.9
192.09299	4.2
193.10129	6.6
194.10841	2.9
195.08104	2.0
195.11679	5.3
196.12450	1.0
197.09651	3.1
197.13284	1.8
199.11250	0.9
203.08569	1.7
204.09381	1.7
205.10109	4.9
206.10857	5.2
207.08211	0.7
207.11678	12.9
208.12416	1.8
209.09654	1.5
209.13277	2.3
211.11267	1.4
211.14780	1.3
213.09187	0.9
215.08716	0.8
215.10695	1.5
216.09390	1.1
217.10181	3.1
217.12158	0.5
218.10933	2.6
219.08157	1.0
219.11681	7.3
220.12520	2.0
221.09563	1.1
221.13261	9.0
222.14056	1.6
223.11212	1.9
223.14842	1.9
225.09140	1.3
225.12735	1.2
227.10539	0.9
227.14345	0.7
229.10226	1.0
229.12358	0.6
230.10809	1.1
231.08081	1.0
231.11702	3.9
232.08821	1.2
232.12401	2.8
233.09549	1.5
233.13229	7.4
234.10432	0.6
234.14023	1.1
235.11203	1.6
235.14703	2.7
237.09138	0.6
237.12761	2.3
239.10683	0.7
239.14264	0.8
241.12337	0.7
243.11752	1.1
244.12439	0.8
245.09682	1.0
245.10861	0.6
245.13255	4.9
246.10469	1.0
246.14017	2.7
247.11079	1.8
247.14844	5.2
248.11852	0.8
249.12779	3.0
249.16411	1.7
251.10681	1.0
251.14388	1.2
252.11395	1.0
253.12198	1.4
255.11583	0.7
255.13762	2.5
257.13297	1.3
258.14142	1.0
259.11179	1.2
259.14865	2.8
260.15540	2.1
261.12906	2.9
261.16306	5.5
262.13574	0.5
262.17114	1.0
263.14352	1.5
263.17862	1.0
265.12259	2.3
267.13828	7.4
269.15555	0.7
272.15463	0.7
273.12756	0.8
273.16461	1.5
275.14389	2.2
275.18002	4.1
276.18698	0.6
277.12491	0.6
277.15970	1.7
277.19495	1.6
279.05344	0.6
279.13785	2.2
281.15353	1.7
285.16495	1.0
287.18060	0.6
288.15100	1.0
289.15799	1.2
293.15244	1.5
301.16101	1.2
301.19431	1.2
303.14407	0.8
303.17477	4.0
305.15427	1.2
305.18985	0.6
306.16113	0.7
307.16962	4.3
319.17117	1.2
320.17731	0.7
321.18457	5.3
322.19077	1.2
322.36414	0.6
323.20145	1.1
329.19028	1.0
333.18393	0.8
347.20135	2.5
362.22388	1.1
397.25714	0.8
399.23285	0.5
401.25037	2.8
415.26349	4.4
417.28091	2.8
419.21851	0.5
425.24698	1.9
443.25839	15.0
444.26245	1.6
461.26865	100.0
462.27271	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2685
Annotation	Vielanin B
Peak:m/z	Relative Intensity
53.03939	0.7
55.01870	0.7
55.05507	1.9
65.03957	0.6
67.05502	4.3
69.07063	1.6
71.04993	0.6
71.09872	0.8
77.50261	0.5
79.05499	3.1
81.07060	4.2
83.04996	3.0
91.05470	3.0
91.62806	0.5
93.07042	4.0
95.04977	1.8
95.08605	7.9
97.06513	0.7
105.03436	2.6
105.07024	5.9
107.08609	3.8
109.06505	0.8
109.10168	1.2
111.04454	1.1
111.08092	1.2
113.06016	0.6
115.05411	1.0
117.07013	1.8
119.08580	4.4
121.06474	1.1
121.10145	1.8
128.06256	1.9
129.07056	3.0
131.08565	3.2
133.06491	0.7
133.10149	2.0
133.35458	0.5
135.08083	1.4
135.11719	0.7
139.07599	0.7
141.07039	1.3
142.07768	1.8
143.08556	3.3
145.10130	3.5
147.11766	1.0
153.07011	1.1
154.07777	1.3
155.08569	9.5
156.09315	1.4
157.10115	3.2
159.08041	1.3
159.11665	0.8
165.07007	2.5
166.07809	0.9
167.08580	2.7
168.09305	1.0
169.10123	5.8
170.10971	0.6
171.11705	1.8
173.09610	1.4
175.11203	0.6
178.07780	1.6
179.08545	4.5
180.09348	2.4
181.10118	4.2
183.11740	2.1
184.54103	0.6
185.09561	0.8
185.13313	0.7
187.11197	1.0
191.08582	2.9
192.09372	4.8
193.10126	8.0
194.10913	2.1
195.08131	1.3
195.11693	8.1
195.13356	0.8
197.09665	1.2
197.13243	1.1
199.11159	0.7
202.07809	0.8
203.08553	2.2
203.10573	0.6
204.09380	2.1
205.10112	5.2
206.10880	4.2
207.11687	10.9
208.12437	2.3
209.09608	1.0
209.13274	2.4
211.11171	0.7
213.09093	0.6
215.08615	0.9
215.10696	1.0
216.09372	0.8
217.10173	3.4
218.10939	2.7
219.11726	7.8
220.12480	1.9
221.09624	0.8
221.13249	7.0
222.14064	1.5
223.11176	0.8
223.14818	1.5
224.12022	0.6
225.09227	0.7
227.10605	0.6
229.10060	1.2
230.10901	1.0
231.11682	4.3
232.08719	0.7
232.12436	2.8
233.09673	0.8
233.13277	8.2
233.15662	0.8
234.13908	1.2
235.11140	1.1
235.14780	2.1
236.15567	0.7
237.12723	1.0
237.16452	0.8
243.11679	1.2
244.12514	1.7
245.13263	4.0
246.14003	3.0
247.11105	1.4
247.14818	7.6
248.15581	0.9
249.12701	1.8
249.16403	2.0
253.12273	1.5
255.14021	1.5
257.13339	0.9
259.14801	2.5
260.15579	1.4
261.12848	1.9
261.16418	9.3
262.16956	1.2
263.14288	1.2
263.18063	0.7
265.12299	1.6
267.13834	7.3
268.14337	0.8
270.14096	0.5
271.14630	0.6
273.16345	1.3
275.14267	0.5
275.17969	1.9
277.15823	0.5
277.19559	0.8
279.13809	1.5
281.15390	1.4
283.15128	0.6
285.16318	0.6
287.14539	0.7
287.17892	1.4
289.15860	1.2
289.19247	0.7
291.13766	0.6
293.15540	1.3
301.16000	0.7
303.17484	2.4
303.20926	0.9
305.15225	0.6
307.17029	2.7
319.16998	1.2
320.17761	0.9
321.18506	5.8
322.19205	1.0
323.20059	1.0
333.18573	1.1
347.20035	1.2
362.22260	1.5
401.25208	2.6
415.26364	2.2
417.27646	2.7
425.25018	1.0
443.25903	8.3
444.26065	1.5
461.26868	100.0
462.27222	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2689
Annotation	Vielanin B
Peak:m/z	Relative Intensity
53.03942	2.0
55.01875	1.1
55.05511	4.6
67.05511	9.3
69.07063	2.7
69.48496	2.0
69.48903	4.7
79.05486	5.8
81.03432	1.0
81.07065	6.3
83.04984	8.7
83.08611	1.0
91.05468	8.3
93.07031	8.5
95.04971	3.2
95.08605	13.6
105.03444	1.2
105.07033	9.5
107.08598	6.7
109.06510	1.5
109.10151	2.6
111.04446	3.8
111.08100	2.1
111.49868	1.0
115.05476	2.3
117.07002	3.6
119.08584	8.3
121.06483	2.2
121.10154	2.9
123.08116	2.0
123.11695	1.3
123.19861	0.9
128.06207	2.0
129.07016	6.0
131.08553	6.6
133.10114	5.3
135.08058	2.7
135.11717	1.7
138.75897	1.0
141.06976	3.0
142.07735	2.9
143.08545	6.4
145.06526	1.9
145.10149	5.6
147.08078	1.5
147.11671	1.9
153.06961	1.8
154.07835	1.5
155.08539	16.0
156.09294	3.0
157.10123	9.3
159.08093	1.0
159.11627	4.5
161.09668	2.3
161.13136	1.1
165.07094	3.2
166.07787	1.4
167.08607	4.6
168.09456	1.1
169.10114	7.6
170.10854	1.3
171.08023	1.7
171.11705	6.3
173.09602	1.6
175.11249	1.7
178.07838	1.7
179.08611	7.2
180.09323	1.7
181.10063	7.0
182.10880	1.6
183.07924	1.1
183.11633	4.8
185.09666	1.3
185.13287	2.9
187.11142	2.2
189.12656	1.5
191.08548	2.0
192.09378	3.5
193.10107	9.9
194.10912	4.1
195.08086	2.2
195.11703	5.7
197.09560	4.8
197.13298	3.2
199.11095	1.6
199.32768	1.0
201.09245	1.3
203.08566	1.8
204.09372	1.6
205.10168	4.8
206.10948	5.3
207.11717	11.5
208.12418	2.1
209.09581	2.4
209.13228	6.4
211.14842	2.0
213.09189	1.3
215.10651	1.6
217.10110	4.4
218.10886	2.6
219.11662	10.7
220.12465	4.5
221.09648	1.8
221.13269	11.7
222.14076	2.6
223.11310	2.0
223.14822	3.6
225.09050	1.1
225.12721	1.3
227.14388	1.2
229.10168	1.6
230.10928	1.7
231.11694	4.1
232.12575	3.0
233.13184	7.5
234.13853	1.3
235.11224	2.2
235.14778	5.1
237.12808	3.2
237.16388	1.6
239.14442	1.0
241.12433	1.2
243.11691	1.7
244.12602	1.4
245.13264	6.1
246.10277	1.0
246.14035	3.5
247.11195	3.4
247.14812	5.4
248.11780	1.1
248.15564	1.5
249.12698	4.6
249.16513	1.9
251.14354	2.5
253.12392	1.3
255.13890	6.0
257.13251	1.5
258.14221	1.3
259.11505	0.9
259.14917	4.4
260.15671	1.7
261.12833	3.3
261.16205	5.7
262.13379	1.1
262.17053	1.6
263.14261	2.5
265.12329	2.3
267.13812	7.1
271.14758	1.8
273.12714	1.4
273.16367	1.9
274.17361	1.0
275.14389	2.3
275.17917	4.5
276.18805	1.2
277.12512	1.1
277.15781	2.3
277.19327	2.4
279.13721	2.3
279.17307	1.2
281.15439	1.9
285.16272	1.9
287.14465	1.7
287.17886	1.8
289.15921	1.2
290.16513	1.1
293.15445	1.9
293.18781	1.3
295.17072	1.8
301.15927	1.7
301.19400	2.1
303.17450	7.0
303.20480	1.6
304.18259	1.3
305.15573	1.5
305.18930	1.7
307.16983	4.3
321.18448	8.0
322.19171	2.0
323.20090	1.8
329.19043	1.5
340.16727	1.6
347.20071	3.4
362.22375	1.8
386.16763	1.7
397.25397	1.4
401.24777	5.7
403.21292	3.9
415.26346	9.5
416.26523	1.2
417.27911	7.8
418.28091	1.6
425.24890	2.2
431.45392	0.9
443.25815	28.6
444.26086	3.1
460.27625	1.0
461.26849	100.0
462.27164	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2686
Annotation	Rudbeckiolide
Peak:m/z	Relative Intensity
53.03941	1.3
55.01864	0.7
55.05512	6.7
55.34381	0.5
57.03424	0.6
57.07062	1.2
59.83624	0.5
67.05510	7.9
69.07062	2.0
69.70669	2.7
70.71347	0.7
71.04995	0.8
79.05486	3.9
81.07056	5.2
83.04983	11.7
83.08612	0.9
85.06531	1.2
91.05478	7.0
93.07048	8.1
95.04958	2.2
95.08607	10.6
97.06525	1.0
98.23288	0.9
103.05476	0.9
105.07042	7.7
107.08596	4.3
109.06554	1.9
109.10160	1.4
111.04451	6.2
111.08080	3.2
115.05444	1.5
117.06998	3.2
119.07777	0.9
119.08588	8.9
121.06514	1.6
121.10135	1.9
123.08086	1.6
125.06037	0.7
128.06226	2.0
129.07013	3.8
130.07814	0.7
131.08574	4.5
133.10124	5.8
135.08060	1.6
135.11713	1.0
139.07588	1.3
141.07002	2.9
142.07764	5.4
143.08585	5.4
144.09279	0.9
145.10121	3.9
147.08073	1.0
147.11699	1.9
153.06979	1.1
154.07802	1.4
155.08560	13.3
156.09373	3.8
157.10129	13.4
158.10748	0.7
159.08009	1.3
159.11664	3.5
161.09647	1.7
161.13297	0.7
165.06990	3.7
166.07806	2.0
167.08566	5.8
168.09299	1.0
169.10132	9.7
170.10768	0.8
171.08054	0.6
171.11687	5.3
173.09674	1.0
175.11224	1.6
178.07770	1.6
179.08569	8.9
180.09320	4.1
181.10114	5.8
182.10895	1.3
183.11708	3.3
185.09641	1.1
185.13187	1.4
187.11104	1.4
189.12695	1.4
191.08618	2.2
192.09326	4.0
193.10152	7.6
194.10912	7.6
195.08060	0.7
195.11694	8.6
196.12419	1.9
197.09673	1.7
197.13196	2.9
199.11189	1.6
199.15012	0.8
202.07504	0.6
203.08611	1.5
204.09355	1.9
205.10165	5.3
206.10902	5.7
207.11671	11.4
208.08827	0.8
208.12430	3.1
209.09859	1.4
209.13249	15.1
210.10265	0.6
210.13696	1.1
211.11267	1.0
211.14865	3.2
213.09096	0.9
213.12758	1.0
216.09297	1.8
217.10117	4.1
217.12267	2.5
218.10934	2.0
219.11673	10.3
220.12404	3.7
221.09695	1.3
221.13239	7.8
222.10539	0.6
222.14041	1.8
223.11192	1.1
223.14751	4.0
224.15495	0.7
225.09142	0.9
225.12732	1.0
229.10147	1.6
230.10815	1.5
231.11731	5.6
232.12369	3.2
233.09717	1.0
233.13239	6.7
234.13899	1.9
235.11198	1.2
235.14816	3.3
236.11951	0.7
237.12740	1.7
237.16437	0.9
239.14375	1.4
243.11726	1.4
243.13980	1.2
244.12424	1.8
245.09624	0.7
245.13226	7.5
245.15442	0.8
246.14020	4.2
247.11250	1.9
247.14799	9.6
247.17171	1.0
248.15309	0.7
249.12791	2.6
249.16351	1.7
250.17105	0.7
251.10616	1.0
251.14294	1.7
253.12218	1.2
255.13821	4.3
257.13162	1.9
257.15613	0.7
258.13992	1.9
259.11401	0.9
259.14862	4.9
260.12421	0.5
260.15698	2.5
261.12811	1.7
261.16388	7.2
262.17139	1.3
263.14240	0.9
263.17892	1.6
265.12363	1.4
265.15808	0.7
267.13782	5.4
269.15485	1.3
270.14169	0.7
271.11179	0.7
271.14856	2.2
272.15579	1.4
273.12735	1.1
273.16339	3.1
274.17160	1.8
275.14752	1.1
275.17996	4.2
276.18704	1.3
277.12250	0.8
277.15982	1.4
277.19498	1.3
279.13882	1.9
279.17221	0.7
285.16483	1.8
287.14587	1.3
287.17917	4.6
288.15045	0.7
288.18842	0.8
289.15936	1.3
289.19519	1.9
291.13959	1.3
291.17224	0.6
291.21024	0.7
293.15399	1.4
295.17035	2.0
301.16034	1.3
301.19495	2.6
302.16879	0.8
302.20181	1.7
303.17444	2.5
303.21130	2.7
305.15436	1.2
305.18814	0.9
306.16351	0.7
307.16843	3.9
319.16904	1.8
319.20456	0.6
320.17542	1.1
321.18463	4.4
322.19507	0.7
323.20163	0.9
327.17361	0.7
329.19016	2.6
331.20337	0.8
333.18399	0.9
333.22156	0.7
343.20724	1.0
344.21335	1.1
347.20139	4.0
349.21539	0.9
359.20236	0.8
361.21655	1.0
362.22214	3.6
383.23792	0.7
387.19098	1.0
401.24747	30.2
402.24997	3.1
405.20685	0.6
415.26193	6.2
416.26581	1.0
417.27893	15.2
417.33469	0.9
418.28238	2.0
425.24783	2.5
443.25827	21.6
444.26251	3.5
461.26862	100.0
462.27240	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2685
Annotation	Vielanin B
Peak:m/z	Relative Intensity
55.05503	4.6
67.05503	6.6
69.07059	1.6
69.15080	7.3
69.15492	2.0
71.73215	1.0
76.72828	1.1
79.05525	5.4
81.07062	6.2
83.04986	5.2
91.05470	7.7
93.07052	10.1
95.04974	2.6
95.08607	15.6
97.06538	1.3
105.07027	10.2
107.08591	7.4
109.06522	1.7
109.10174	3.0
111.04432	2.4
111.08076	2.7
116.06157	1.2
117.07003	3.1
119.08582	8.7
119.09303	1.4
121.06506	1.5
121.10126	1.6
123.08036	3.0
128.06229	2.1
129.06996	4.0
131.08588	7.2
133.10115	3.8
135.08060	3.8
135.11690	1.2
141.07014	2.8
142.07765	2.5
143.08592	8.2
145.10112	5.4
147.08069	2.6
147.11679	2.2
149.70102	1.0
153.07033	1.8
154.07756	1.4
155.08568	10.8
156.09335	3.3
157.10147	8.0
159.08093	2.7
159.11737	3.7
161.09636	3.0
165.07062	3.4
166.07863	1.7
167.08611	3.9
168.09328	1.7
169.10149	11.4
170.10860	1.6
171.08058	1.3
171.11691	4.8
175.11171	1.4
178.07867	2.0
179.08595	5.2
180.09343	2.5
181.10085	5.9
182.07137	1.3
183.11742	4.9
185.09692	2.0
185.13338	1.6
187.11287	2.2
189.12834	1.3
191.08643	4.3
192.09387	5.0
193.10077	6.8
194.10948	3.3
195.08061	3.0
195.11702	7.6
196.12476	1.2
197.09596	5.9
197.13136	1.3
199.11229	2.4
203.08644	2.9
204.09457	1.5
205.10103	6.6
206.10889	7.1
207.11655	13.8
208.12419	3.7
209.09549	1.4
209.13153	5.4
210.13911	1.6
211.14731	1.9
213.09213	1.9
215.08565	1.3
215.10585	1.8
217.10121	3.0
218.11000	3.1
219.11713	10.8
220.12346	2.7
221.09708	1.9
221.13255	13.8
222.13892	2.2
223.11201	2.5
223.14842	2.8
225.12770	2.2
229.10172	2.0
231.11667	4.2
232.12459	4.3
233.09627	2.1
233.13293	9.1
234.13937	2.1
235.11128	1.5
235.14865	4.1
236.15312	1.2
237.12773	4.3
239.14319	1.4
243.11702	2.3
244.12514	1.8
245.09726	1.3
245.13225	4.8
246.10446	1.3
246.14032	4.4
247.11281	4.0
247.14856	8.1
248.11855	1.6
249.12582	5.3
249.16537	1.8
251.10658	1.3
253.12489	2.7
255.13809	2.2
259.14847	3.6
260.15762	1.4
261.12842	3.8
261.16385	8.0
262.17053	1.8
263.14420	1.9
263.17957	2.7
265.12238	1.7
267.13824	8.8
268.14386	1.3
273.12820	1.6
273.16235	1.6
274.13937	1.2
275.14514	2.5
275.17969	6.8
277.15961	2.0
277.19492	3.1
279.13925	2.6
281.15244	1.5
285.16348	2.0
287.14560	1.7
287.18005	3.2
288.15210	2.1
289.15884	2.6
293.15521	2.0
301.19489	1.2
302.16360	1.3
303.17422	7.2
304.17996	1.8
305.15521	1.3
307.17007	4.7
321.18506	9.9
322.19321	2.1
323.19821	1.4
329.18790	1.2
344.21228	1.5
347.20102	2.2
401.24744	4.6
415.26288	10.2
416.26569	1.8
417.27917	6.9
425.24701	3.6
443.19693	1.5
443.25824	28.9
444.26208	5.1
461.26855	100.0
462.27231	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2687
Annotation	Vielanin B
Peak:m/z	Relative Intensity
51.21203	0.7
53.03944	1.3
55.01874	1.6
55.05502	2.8
56.70111	0.9
56.75082	1.0
62.44771	0.6
67.05508	6.9
69.07058	1.9
69.26131	5.4
75.51242	0.7
79.05489	2.7
81.07069	5.6
83.04984	5.1
85.06534	1.1
85.68066	0.7
87.67303	0.7
91.05485	5.8
93.07047	6.4
94.70166	0.7
95.04962	1.8
95.08614	11.3
97.06499	1.1
98.22615	1.7
105.07040	7.0
107.08591	4.9
109.06535	1.5
109.10159	1.8
111.04458	2.3
111.08057	1.3
115.05491	0.8
117.07000	1.8
119.08581	6.8
121.06533	1.3
121.10143	1.9
123.08082	2.7
127.07542	1.1
128.06270	2.6
129.06998	3.3
130.87379	0.8
131.08571	4.5
133.10127	3.7
135.08070	2.1
135.11723	1.0
139.07550	1.3
139.28401	0.7
141.06998	2.3
141.65833	0.8
142.07791	3.2
143.08546	5.8
144.11951	0.8
145.06514	1.5
145.10117	3.5
147.08080	1.0
147.11684	1.2
149.09679	0.8
153.07007	2.0
154.07794	2.3
155.08575	8.8
156.09306	2.3
157.10136	5.8
159.11728	2.6
160.96602	0.7
161.09641	1.7
165.07014	4.7
166.07755	1.1
167.08534	4.1
169.06514	0.8
169.10168	7.6
171.08095	1.1
171.11655	3.7
171.54990	0.7
173.09654	1.3
175.11179	2.0
178.07738	1.5
179.08549	7.2
180.09381	3.8
181.06511	1.1
181.10097	6.1
182.11008	1.0
183.11769	3.5
185.09723	1.1
185.13295	1.0
187.11266	1.4
189.12851	1.6
190.07784	1.0
191.08627	3.3
192.09360	3.2
193.10159	9.0
194.10907	2.2
195.08055	2.3
195.11728	8.7
196.12436	1.1
197.09645	3.4
197.13277	2.1
199.11275	1.0
199.77350	0.9
202.07753	1.2
203.08594	3.0
204.09352	3.0
205.10147	7.6
206.10869	7.1
207.08078	1.1
207.11710	11.9
208.12434	2.1
209.09601	1.9
209.13200	4.1
211.11241	1.6
211.14949	0.9
215.08653	1.2
215.10709	1.4
216.09271	1.1
217.10149	4.3
218.10939	4.1
219.08142	1.6
219.11720	10.0
220.08824	1.3
220.12410	1.9
221.09662	2.1
221.13193	10.2
222.10399	0.9
222.13992	2.0
223.11218	3.1
223.14859	2.5
225.09198	2.3
225.12805	1.7
227.14313	1.0
229.10141	1.2
230.10965	1.6
231.08145	1.0
231.11649	4.8
232.08862	1.8
232.12503	3.5
233.09608	2.6
233.13242	7.6
234.10329	1.3
234.14038	1.2
235.11183	1.8
235.14716	3.7
236.15408	1.0
237.09056	1.1
237.12762	2.4
237.16370	1.5
239.10890	1.8
243.11673	1.8
244.12569	1.6
245.09607	1.4
245.13261	4.1
246.10368	1.3
246.14011	3.9
247.11159	4.5
247.14783	5.6
248.11710	0.8
248.15642	1.6
249.12737	5.1
249.16519	1.8
251.10815	1.4
251.14377	2.8
253.12238	1.7
255.13921	2.1
256.12460	1.0
257.13156	1.2
259.11151	1.0
259.14819	4.4
260.15698	2.1
261.13007	4.3
261.16360	8.2
262.13730	0.9
262.16992	1.9
263.14417	2.2
263.17975	1.9
265.12247	3.5
267.13834	7.3
268.14484	0.8
273.12888	0.9
273.16388	1.9
275.14444	2.2
275.18005	4.3
277.12299	0.8
277.16022	1.9
277.19473	1.4
278.12924	0.9
279.13794	3.3
279.16916	0.8
281.15356	1.7
285.12836	1.0
285.16333	1.1
287.14380	1.5
287.17981	2.4
288.15085	1.3
289.15863	2.7
293.15384	2.3
301.15891	1.4
301.19214	1.2
303.14175	1.4
303.17505	5.6
304.18231	1.6
305.15363	1.9
306.16086	1.6
307.16931	3.3
311.37167	0.9
315.17514	0.8
315.21173	0.9
319.17059	1.5
321.18555	10.2
322.19009	2.3
323.20007	3.1
329.19049	1.7
333.18665	1.1
347.20157	2.1
362.22482	1.6
373.21594	1.1
401.20493	1.8
401.25342	4.8
415.26309	5.2
417.28281	1.7
425.24899	2.5
443.25885	19.7
461.26880	100.0
462.27228	6.3
486.06339	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
55.05505	4.1
67.05515	6.6
68.35384	1.3
69.03432	1.7
71.32369	1.2
78.30404	1.3
79.05489	2.0
81.07062	5.1
83.04985	10.5
91.05476	4.8
93.07059	7.5
95.04996	2.2
95.08614	10.4
97.06552	1.5
97.19872	1.2
105.03394	3.4
105.07045	6.7
107.08618	4.3
109.10168	2.0
111.04472	6.6
111.08099	4.3
117.07015	2.6
117.29232	1.3
119.08572	9.3
121.06522	1.7
121.10181	2.3
123.08121	1.6
129.07025	3.2
131.08574	4.8
133.10127	6.5
135.08098	1.6
139.07570	3.5
141.07034	3.3
142.07828	1.3
143.08586	5.8
144.09344	2.1
145.06516	1.5
145.10136	3.3
147.08060	2.8
147.11707	2.7
152.06320	2.4
153.06963	1.6
154.07787	1.3
155.08556	24.5
156.09364	2.6
157.06491	2.5
157.10158	6.7
159.08046	2.2
159.11717	3.1
165.07019	2.0
167.08559	6.9
169.10153	4.6
171.11708	8.1
173.09596	2.2
175.11267	1.7
179.08528	5.6
180.09344	2.8
181.10179	4.0
183.11736	5.2
185.13293	2.0
189.12727	2.7
192.09369	3.4
193.10162	4.2
194.10970	2.4
195.08087	9.5
195.11714	6.5
197.09714	3.3
197.13313	3.7
199.11137	3.5
200.10176	1.3
205.10249	1.8
206.10728	2.4
207.08012	2.1
207.11665	8.8
209.13292	5.6
211.14825	2.1
217.10156	1.9
217.12239	1.9
218.10823	1.5
219.11717	4.3
220.12576	1.6
221.13196	8.3
222.14073	2.5
223.11217	2.1
223.14856	1.7
225.12727	1.5
231.11798	2.3
232.12376	3.0
233.13261	3.7
235.14897	2.4
237.12897	3.3
245.13335	3.5
246.14064	2.1
247.11369	2.4
247.14822	5.0
249.12729	3.3
249.16426	1.6
255.13860	10.7
259.11285	2.5
259.14890	3.1
261.12787	4.5
261.16412	1.5
263.14343	3.4
267.13818	6.5
273.12711	2.0
273.16177	1.6
275.14334	2.0
275.17947	1.6
279.61124	1.5
289.15887	2.7
295.17065	2.6
301.15887	2.8
303.17520	3.6
319.16940	2.2
321.18533	3.4
329.19107	2.8
331.20386	2.5
347.20123	2.6
357.07687	2.0
362.22525	2.7
377.24707	2.8
387.12259	1.6
397.25241	1.7
401.20700	1.5
401.25183	1.7
415.11337	1.7
415.26569	4.9
425.24847	5.2
430.21594	1.4
443.25858	22.1
444.26172	2.2
447.14325	4.4
461.26901	100.0
462.17136	7.3
462.27307	12.3
468.96198	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2685
Annotation	Rudbeckiolide
Peak:m/z	Relative Intensity
51.06581	0.5
53.03938	1.0
55.05272	0.6
55.05513	6.8
57.03434	0.6
57.07080	1.4
62.58455	0.5
63.00307	0.5
65.03937	0.6
67.05506	6.2
69.03442	0.9
69.07056	2.0
69.13390	4.3
69.89990	0.5
71.04999	0.6
79.05498	3.4
81.07052	3.9
83.04983	13.0
83.08617	1.1
85.06546	1.8
91.05482	6.1
92.23407	0.5
93.07045	8.5
95.04959	2.2
95.08608	10.8
97.06496	1.0
105.03373	0.8
105.07020	5.5
107.08584	4.4
109.06517	1.5
109.10152	1.2
111.04449	7.4
111.08092	3.1
115.05431	1.2
117.07005	2.4
119.08581	9.5
121.06512	1.6
121.10159	1.8
123.08080	1.1
127.07554	0.7
128.06168	2.5
129.06993	4.2
130.07802	1.1
131.08585	5.3
132.09299	0.7
133.10133	6.3
135.08061	1.2
135.11635	0.7
139.07536	2.2
141.06976	2.4
142.07793	5.8
143.06831	0.7
143.08577	5.3
145.06476	0.5
145.10124	3.9
147.08037	1.4
147.11711	1.9
149.09581	0.8
153.07001	1.6
154.07768	1.4
155.08554	13.4
156.09367	4.7
157.10133	14.1
159.08090	1.1
159.11694	3.2
160.08832	0.7
161.09648	1.4
161.13344	1.0
162.15359	0.5
165.06985	3.4
166.07788	1.4
167.08537	5.1
168.09338	1.7
169.10123	9.6
170.10840	1.5
171.08038	0.9
171.11717	7.4
173.09608	1.3
173.13310	1.8
175.11191	1.5
178.07657	1.0
179.08553	10.4
180.09325	3.3
181.10133	7.7
182.10904	2.2
183.11665	4.3
185.09589	0.9
185.13284	2.1
187.11185	1.2
189.12697	0.9
191.08537	1.3
192.09354	3.5
193.10124	7.2
194.10922	8.8
195.08069	1.6
195.11665	7.6
196.12498	2.1
197.09628	1.4
197.13240	4.2
199.11057	2.7
200.08401	0.8
201.12741	0.7
203.08604	1.4
203.10652	0.8
203.71207	0.5
204.09435	1.5
205.10127	4.3
205.11937	1.0
206.10901	4.4
207.11697	8.6
208.12450	2.1
209.09818	0.7
209.13251	19.0
211.14803	4.2
213.09123	1.4
213.12680	0.9
213.16364	0.7
215.08647	0.6
215.10651	0.9
216.09311	0.7
217.10136	3.2
217.12292	4.3
218.10832	3.1
219.08311	0.5
219.11684	8.9
219.13683	0.7
220.12428	3.1
221.13254	6.8
222.10472	0.7
222.13948	1.3
223.11351	0.8
223.14774	3.5
224.15404	0.7
225.12758	0.8
225.16348	0.7
227.10580	0.6
227.14478	1.0
229.10222	1.4
230.10916	1.5
231.11646	4.6
232.12486	3.8
233.13214	5.9
234.13986	1.9
235.11160	1.0
235.14836	3.6
236.15521	1.0
237.09131	0.7
237.12749	2.0
239.14296	1.0
243.11661	1.9
243.13930	1.0
244.12422	2.0
245.13272	6.1
245.15601	0.9
246.13988	4.1
247.11159	1.1
247.12253	0.7
247.14821	8.1
248.15450	1.3
249.12819	1.8
249.16431	1.8
251.10664	0.9
251.14388	1.2
253.12318	1.0
255.13823	4.9
257.13190	1.9
257.15521	1.2
258.13928	1.5
259.14798	5.2
260.15594	2.4
261.13098	1.2
261.16418	7.4
262.17099	1.7
263.14377	1.1
263.17929	2.4
265.12259	1.0
267.13828	4.1
268.14243	0.8
269.15399	1.4
271.14725	2.1
272.15652	1.2
273.12769	0.9
273.16391	3.1
274.16998	1.4
275.14743	0.8
275.17978	4.0
276.18726	1.4
277.16046	0.6
277.19452	1.1
279.13867	2.0
281.15384	0.8
285.16406	1.5
286.16980	1.1
287.14658	1.0
287.17963	3.6
288.18652	0.7
289.16135	0.9
289.19522	2.2
290.20401	0.6
291.13757	1.6
291.20956	0.8
293.15384	1.0
295.16913	2.3
301.16138	1.0
301.19574	1.9
302.20291	1.5
303.17502	1.9
303.21140	2.5
305.15329	1.1
307.17062	1.6
317.22745	0.8
319.16904	1.4
320.17535	0.8
321.18707	2.6
322.19131	1.0
329.19052	1.7
331.16986	0.7
331.20590	1.2
333.18365	1.2
335.20139	1.1
343.20563	0.9
344.21414	0.6
347.20062	3.8
348.20938	0.7
349.21570	0.7
351.23132	0.6
361.21701	1.8
362.22382	3.5
363.23102	0.7
382.23154	0.5
389.25528	0.6
397.25259	1.2
399.52682	0.5
401.24744	21.2
402.25131	2.2
405.20749	1.3
415.26355	4.9
417.27878	23.2
418.28186	2.0
425.24710	2.6
443.25833	17.3
444.25989	1.2
461.26852	100.0
462.27255	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2687
Annotation	Vielanin B
Peak:m/z	Relative Intensity
50.99942	0.4
55.05507	1.8
67.05515	2.1
69.03419	0.5
69.07072	0.5
69.10291	3.8
73.40533	0.5
79.05500	1.0
81.07062	1.6
83.04966	3.4
91.05470	2.2
93.07051	2.8
95.08603	4.5
98.23363	0.9
103.13968	0.4
105.07034	2.3
107.08601	1.6
109.06536	0.5
109.10146	0.9
111.04433	2.1
111.08085	1.2
117.07014	1.5
119.08585	3.3
121.06485	1.0
121.10133	0.8
128.06255	1.0
129.06999	1.5
131.08592	1.2
133.10149	1.5
135.08076	0.5
136.59143	0.4
141.07056	0.9
142.07838	0.5
143.08553	1.9
145.10168	1.1
147.08031	1.1
149.61101	0.4
153.07019	1.3
155.08560	37.9
156.09125	1.7
157.10136	1.6
159.08083	0.5
159.11722	0.9
161.09615	1.3
165.07030	2.0
166.07750	0.7
167.08566	3.9
169.10164	2.3
171.08080	0.6
171.11685	2.0
173.09734	0.7
175.11176	0.6
178.07745	0.8
179.08603	2.7
180.09328	1.2
181.10112	2.1
183.11642	1.1
185.13358	0.5
189.09161	0.5
189.12866	0.5
192.09309	1.2
193.10199	1.7
194.10907	3.8
195.08080	2.0
195.11646	3.5
196.12381	0.5
197.09596	0.5
197.13246	1.0
199.11159	0.8
205.10201	1.4
206.10963	1.9
207.11676	6.8
208.12427	1.1
209.13263	8.4
210.13866	0.5
211.11131	0.5
211.14761	0.7
215.10701	0.6
217.10289	0.5
217.12265	1.3
218.10893	0.8
219.11728	1.9
220.12399	1.0
221.13231	4.4
223.14796	1.0
231.11729	1.1
232.12378	0.9
233.13284	1.9
233.15428	0.5
235.14793	1.0
237.12773	0.6
239.14087	0.4
243.11652	0.6
245.13206	1.5
246.14131	0.6
247.11247	0.6
247.14780	2.2
249.16425	1.0
252.11491	1.0
253.12262	1.3
255.13800	19.0
255.16478	1.0
256.14203	1.0
259.15036	1.1
260.15616	1.0
261.16425	2.0
263.14328	0.6
265.15811	0.5
267.13794	6.9
268.14517	1.2
271.14771	0.6
273.16455	0.8
275.17972	1.3
281.15530	0.6
287.17917	1.3
293.15317	0.7
295.17163	1.0
301.15961	0.5
301.19482	0.7
303.17606	0.7
303.21005	0.7
305.15311	0.8
307.16974	1.0
319.17032	0.6
321.18576	1.0
329.18900	0.8
347.20001	1.7
349.21793	0.7
362.22498	1.5
401.24823	0.6
415.26318	6.3
417.27496	0.9
425.24643	1.0
443.25833	4.2
461.26871	100.0
462.27234	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2687
Annotation	Vielanin B
Peak:m/z	Relative Intensity
50.91275	0.6
53.03946	1.0
55.01868	1.1
55.05510	2.6
65.03969	0.8
67.05502	4.3
67.14976	0.8
67.98141	0.9
69.03446	1.3
69.07056	1.4
69.16529	6.0
79.05493	2.8
81.07050	3.5
83.04982	6.1
89.06062	0.8
91.05473	5.4
93.07043	4.6
95.04955	1.7
95.08608	7.0
97.06534	1.5
105.07030	7.5
107.08578	4.0
109.10139	1.5
111.04451	2.4
111.08077	1.6
115.05459	1.2
117.07035	1.5
117.30455	1.0
119.08578	5.1
121.06505	1.3
121.10133	1.4
123.08074	2.3
125.79030	0.7
127.18918	0.6
128.06221	1.6
129.07010	3.6
131.08569	4.6
133.10123	4.0
135.08075	2.4
137.06090	1.0
139.07489	0.9
141.06996	1.3
142.07765	2.0
143.08531	2.0
145.06493	0.7
145.10121	2.1
146.07181	0.9
147.08098	2.3
147.11723	1.6
149.09619	2.4
152.06252	0.9
153.06984	1.1
155.08553	16.1
156.09125	1.8
157.06549	2.1
157.10147	4.8
159.08078	1.8
159.11720	2.3
161.09608	2.6
164.93019	0.9
165.06978	1.5
167.08578	3.2
169.10124	4.0
171.08061	1.8
171.11742	3.2
172.11983	0.9
173.09633	1.7
173.13242	0.9
175.11211	1.9
177.09254	0.9
179.08626	3.9
180.09265	1.9
181.10130	4.2
182.10921	0.9
183.07999	1.3
183.11707	2.7
185.09607	1.3
187.11079	1.1
189.09114	1.4
191.08623	1.5
192.09390	1.9
193.10161	5.3
194.10876	2.6
195.08076	4.4
195.09973	0.6
195.11671	4.6
197.09616	2.1
197.13374	1.8
199.11183	3.4
201.12781	0.9
205.10150	2.8
206.10931	2.8
207.11678	7.4
208.08797	0.8
208.12268	2.6
209.09636	3.0
209.13310	6.6
211.11244	2.2
217.10161	1.6
218.10999	1.7
219.11633	4.5
220.12338	2.0
221.13214	5.6
222.13834	2.2
223.11148	2.5
223.14827	2.2
224.15479	1.1
225.12819	1.3
231.11710	2.8
232.12387	1.3
233.13235	3.1
234.10355	1.3
234.13864	0.9
235.11090	1.1
235.14783	2.6
236.12053	1.0
237.12810	2.1
239.14365	1.0
244.12292	0.8
245.13327	3.2
246.10548	1.0
247.11221	0.9
247.14859	2.8
249.12767	2.0
249.16444	1.2
251.10727	0.9
251.14255	3.9
252.11440	1.1
253.12073	1.3
255.11507	1.2
255.13815	5.8
257.13162	0.9
258.14047	0.8
259.11127	1.0
259.14642	1.4
260.11996	1.0
261.12732	2.2
261.16406	2.4
263.14154	2.5
265.12283	1.0
265.15921	1.6
267.13818	6.3
268.14276	1.6
269.15149	0.9
271.14896	1.0
273.12564	1.1
273.16339	0.9
275.14157	1.1
275.17911	1.6
277.15997	1.6
279.17334	0.8
281.15421	0.9
285.12381	0.8
285.16171	0.9
287.14340	1.1
287.17880	1.0
289.15826	1.3
293.15427	1.3
301.15820	1.5
303.17398	2.1
305.15485	0.9
305.19046	2.8
307.17029	2.1
317.19131	1.3
319.16907	1.2
321.18454	2.3
327.17200	1.3
329.19049	1.6
331.20554	1.1
333.18359	0.9
333.22122	1.1
347.19781	1.9
351.22614	1.3
362.21970	1.9
397.25235	0.9
401.24664	2.2
407.23953	1.1
415.26166	4.6
417.27441	1.1
425.24747	5.9
443.25797	20.7
444.26300	1.8
461.26590	100.0
462.26971	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2684
Annotation	Vielanin B
Peak:m/z	Relative Intensity
55.05508	2.6
62.79987	0.8
64.93405	0.7
67.05491	3.7
69.07076	1.0
69.45399	2.8
69.45800	1.6
69.90582	0.7
79.05497	2.6
81.07056	2.8
83.04992	7.2
85.06564	0.8
91.05475	3.7
93.07055	7.4
95.04977	1.5
95.08613	6.0
105.07034	4.1
106.17673	0.8
107.08615	2.9
109.06530	1.1
109.10156	2.3
111.04451	3.0
111.08081	3.0
115.05498	1.0
117.07045	2.0
119.08594	5.7
121.10168	1.5
123.08022	0.8
128.06219	1.2
129.06998	2.1
131.08545	2.1
133.10117	4.4
135.08084	1.0
139.07494	1.3
141.06949	1.2
142.07776	1.9
143.08551	3.4
144.09393	0.7
145.10139	2.2
147.08084	2.5
147.11678	1.9
153.07042	2.2
154.07715	1.4
155.08557	39.6
156.09254	2.3
157.06485	1.7
157.10115	3.8
159.08051	1.0
159.11739	1.5
161.09636	1.7
165.06972	3.7
166.07770	1.1
167.08534	6.6
169.10179	4.1
171.07983	1.0
171.11713	3.1
172.08818	1.0
172.62689	0.7
173.09724	1.2
175.11282	1.3
179.08534	4.8
179.35760	0.8
180.09363	2.0
181.06534	0.8
181.10101	3.9
183.11691	2.3
185.13254	1.7
187.11230	1.0
189.12761	1.7
192.09375	1.8
193.10136	3.9
194.10857	4.0
195.08018	6.7
195.11674	4.7
197.09622	1.5
197.13297	2.2
199.11240	2.4
199.14871	0.9
205.10185	2.6
206.10870	3.6
207.11665	7.8
208.12386	1.1
209.09744	1.0
209.13234	10.3
211.14897	0.9
217.10220	0.9
217.12228	1.1
218.10960	1.3
219.11745	4.0
220.12538	1.6
221.13268	6.6
222.13869	0.9
223.10997	0.7
223.14865	1.7
225.12746	0.8
229.10033	0.9
231.11725	1.9
232.12512	1.3
233.13306	3.2
235.14934	2.0
237.12650	1.7
239.14455	0.7
243.11736	0.9
244.12978	0.8
245.09624	1.2
245.13364	2.0
246.14008	1.1
247.11128	1.3
247.14761	3.3
249.12732	1.8
249.16475	1.2
252.11356	0.9
253.12256	2.1
255.13800	19.3
259.11249	1.0
259.14890	2.5
261.12915	1.5
261.16330	2.4
263.14182	0.9
263.17963	1.2
267.13837	9.0
268.14297	1.1
270.14026	1.1
273.16501	1.8
274.16843	0.8
275.14499	1.4
275.18079	2.0
277.15894	1.0
279.13846	1.1
287.14279	1.3
287.18115	0.9
289.15921	1.1
301.16000	1.6
301.19601	2.0
303.17569	1.8
305.15353	1.3
305.18765	1.0
307.17111	0.9
319.17151	0.9
321.18512	1.5
329.19073	1.5
343.20673	0.9
347.20078	2.2
362.22400	2.4
377.24731	1.0
401.25119	1.4
415.26288	3.5
416.26584	1.0
425.25058	1.9
426.24994	0.8
443.25662	8.3
444.26041	1.1
461.26859	100.0
462.27167	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2688
Annotation	Vielanin B
Peak:m/z	Relative Intensity
53.03945	2.4
53.18193	0.8
55.01883	1.4
55.05511	6.0
61.30764	0.8
65.03960	1.4
67.05515	7.2
69.03445	1.6
69.07080	2.6
69.14204	8.4
69.14536	1.6
74.07000	0.9
79.05505	6.4
81.07056	8.6
83.04979	9.5
83.08630	1.1
85.06555	1.3
90.02506	0.8
91.05480	11.5
93.07040	9.2
95.04977	2.9
95.08612	13.9
97.02890	2.2
97.10157	1.0
99.04491	1.5
101.20135	0.9
103.05527	1.0
105.04538	1.2
105.07027	11.7
107.04983	1.1
107.08585	9.8
109.06535	3.9
109.10174	3.5
111.04485	2.9
111.08086	4.9
115.05447	2.0
117.07061	3.1
119.08581	9.6
121.06540	3.6
121.10194	3.0
123.08107	3.1
123.11701	1.3
128.06268	2.8
129.07016	4.6
131.08557	7.0
131.23775	1.0
131.41031	0.9
133.06528	1.6
133.10124	7.2
135.08063	5.3
137.05995	3.3
139.07515	2.3
141.07010	3.5
142.07791	2.9
143.08557	8.2
144.09370	1.6
145.06508	1.9
145.10120	7.1
147.08086	3.3
147.11703	2.8
152.06140	1.3
153.07024	2.2
154.07826	3.0
155.08554	11.6
156.09309	2.8
157.06544	2.4
157.10143	10.6
159.04474	1.4
159.08093	3.0
159.11690	5.1
161.09669	3.5
161.13336	1.6
163.11223	1.4
165.07048	2.7
166.07822	1.8
167.08507	5.1
169.10143	8.8
170.10823	2.1
171.08070	2.2
171.11691	5.3
173.09663	2.7
173.13213	1.0
175.11220	3.8
178.07851	2.6
179.08568	7.5
180.09375	2.6
181.10095	7.5
182.07297	1.2
182.10910	2.5
183.08167	1.8
183.11772	4.2
185.09702	2.9
185.13312	2.3
187.11282	2.7
189.12718	1.4
191.08566	3.5
192.09358	3.6
193.10100	8.1
194.10959	2.7
195.08112	4.6
195.11684	8.6
196.12567	1.4
197.09694	4.8
197.13264	4.6
199.11111	5.4
201.09239	1.5
203.08653	2.0
204.09474	2.2
205.10168	6.5
205.11899	1.1
206.10905	5.3
207.08235	2.2
207.11719	14.1
208.12550	3.3
209.09669	4.9
209.13243	8.9
211.11302	2.7
211.14848	1.7
213.09134	1.4
213.12674	1.3
215.08789	1.5
215.10796	3.0
217.10167	2.2
218.10963	3.1
219.08157	1.4
219.11678	10.2
220.12566	2.7
221.09700	3.2
221.13243	11.1
222.10455	1.2
222.14032	1.4
223.11258	3.4
223.14891	4.1
225.09140	1.5
225.12820	2.8
229.10127	2.6
229.12161	1.3
230.10893	2.2
231.11739	5.0
232.08835	1.9
232.12398	4.6
233.09697	2.6
233.13252	8.6
234.14001	2.3
235.11278	3.2
235.14941	3.2
236.11955	1.3
237.12793	4.4
237.16461	3.1
239.10681	1.7
239.14285	5.6
241.15872	1.3
243.11766	2.4
243.13899	1.1
244.12680	1.4
245.09590	1.5
245.13301	5.5
246.10434	1.6
246.14034	2.8
247.11066	4.5
247.14781	6.3
248.11942	1.1
248.15405	1.1
249.12721	9.3
249.16489	2.5
251.14301	10.3
252.14799	1.2
253.12294	1.8
253.15979	1.9
255.11548	1.8
255.13855	4.4
256.12375	1.2
257.13287	1.6
258.14072	1.2
259.11203	1.6
259.14954	5.0
260.15686	2.1
261.12799	4.2
261.16321	6.6
262.13708	1.6
263.14304	4.4
263.18036	2.0
265.12302	3.3
265.15970	2.7
267.13815	8.1
269.15588	1.2
273.12967	2.3
273.16333	1.9
275.14474	2.9
275.17999	5.4
276.18631	1.2
277.12598	1.3
277.15939	3.6
277.19577	2.0
279.14020	2.4
281.15482	2.1
285.12897	1.1
285.16269	1.4
287.14621	1.1
287.17926	1.6
288.14728	1.0
289.15936	2.5
291.14355	1.2
291.17551	3.9
293.15701	1.7
293.19070	1.3
301.16104	2.4
301.19583	1.8
303.17377	9.3
303.20660	1.3
304.18140	1.9
305.15692	1.3
305.19116	7.7
307.17029	3.9
307.20361	1.3
319.16888	1.4
321.18533	10.3
322.19171	1.8
323.20236	2.1
329.19156	2.3
333.22156	1.5
341.19098	1.2
345.22278	1.5
347.20044	4.6
363.23364	3.6
401.25034	6.8
415.26495	7.0
417.28531	1.8
425.24805	5.0
433.27438	2.8
443.25943	25.5
444.26450	3.5
454.71442	1.1
461.27014	100.0
462.27368	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2689
Annotation	Vielanin B
Peak:m/z	Relative Intensity
51.39270	1.1
52.10863	1.1
53.03966	1.1
55.05506	3.5
65.16594	1.1
67.05507	5.9
69.03435	1.2
69.07069	2.2
79.05480	2.2
81.07056	4.3
83.04971	5.6
91.05473	4.6
93.07029	5.1
95.08612	6.5
105.07035	4.4
107.04889	1.1
107.08580	3.2
109.10130	2.3
111.04445	3.6
111.08078	1.7
117.07005	1.7
119.08586	3.9
121.06542	1.5
122.03081	1.3
123.08092	1.5
129.06976	2.7
131.08566	3.2
133.10130	3.0
139.07567	1.3
142.07790	3.6
143.08569	4.2
145.10091	2.0
147.08018	1.7
147.11780	1.7
154.07774	1.5
155.08536	14.4
156.09262	1.4
157.10181	6.0
159.08240	1.4
159.11703	1.4
165.07156	1.3
167.08492	2.2
169.10141	4.2
171.11748	3.2
179.08493	2.3
180.09456	1.4
181.10115	3.9
183.11739	2.5
193.10051	2.4
194.10902	2.5
195.11671	5.6
197.09636	2.6
197.13330	2.1
199.11223	1.2
203.08498	2.0
205.10155	4.3
206.10889	1.6
207.11696	4.8
209.13345	2.5
217.10127	2.5
218.10983	1.8
219.11685	6.7
220.12358	1.8
221.13254	4.8
231.11682	3.3
233.13179	3.7
235.14874	2.1
245.13272	5.2
246.14072	2.0
247.14862	4.6
249.16406	1.4
259.14758	2.8
260.15442	1.3
261.12927	1.9
261.16385	2.4
267.13965	1.5
275.14255	1.3
275.17804	1.5
279.13959	2.1
287.17761	1.9
305.15466	1.9
307.16748	1.7
321.18228	2.0
329.18961	1.4
347.19949	2.7
415.26483	2.4
417.28137	1.7
425.24625	1.8
443.25876	4.1
461.26773	100.0
462.27194	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2686
Annotation	Vielanin B
Peak:m/z	Relative Intensity
53.03949	0.9
55.05506	4.5
60.02880	0.5
61.07014	0.6
67.05508	5.1
69.07069	1.1
69.09485	2.2
69.09901	3.7
71.04987	0.6
79.05509	3.2
81.07056	3.7
83.04985	11.6
83.08614	1.0
85.06535	1.1
89.27285	0.6
91.05483	5.9
93.07050	8.4
95.04971	1.9
95.08604	8.3
98.22524	1.1
105.07037	6.1
107.08574	3.8
109.06496	0.8
109.10167	2.4
111.04469	6.4
111.08114	3.4
113.05996	0.6
115.05438	0.7
117.07024	1.6
119.08585	6.7
121.06532	1.8
121.10172	2.1
123.08081	1.8
128.06233	1.6
129.07014	4.3
131.08571	5.2
133.06499	0.9
133.10133	6.3
135.08052	1.6
139.07533	1.4
141.06999	1.8
142.07756	4.0
143.08546	6.1
144.09320	0.9
145.10081	3.4
146.07289	0.7
147.08083	2.0
147.11725	2.5
149.09663	0.7
152.06096	0.9
153.06934	1.1
154.07803	1.5
155.08549	13.3
156.09335	3.5
157.06514	0.9
157.10124	11.6
158.10678	0.9
159.08067	1.2
159.11737	3.6
161.09625	2.2
165.07028	2.2
166.07809	1.5
167.08571	4.9
168.09364	1.5
169.10126	7.5
170.10880	1.3
171.08066	1.2
171.11674	5.5
173.09644	1.5
173.13255	0.8
175.11240	1.1
178.07835	1.8
179.08549	8.3
180.09351	2.2
181.10152	5.5
182.10941	1.1
183.08167	0.8
183.11670	4.1
184.12540	0.9
185.09607	1.7
185.13264	1.9
187.11169	1.7
189.12761	0.9
191.08577	1.4
192.09361	3.2
193.10115	6.4
194.10921	7.2
195.08038	1.7
195.11708	6.3
196.12473	1.5
197.09604	1.6
197.13226	3.1
199.11130	4.2
199.14847	1.2
203.08614	1.6
204.09314	1.3
205.10153	3.2
206.10799	3.8
207.11676	7.0
208.12352	1.3
209.09718	1.5
209.13249	12.5
210.13829	1.2
211.11334	0.7
211.14857	3.0
212.25697	0.7
213.09100	1.0
215.08646	0.8
217.10117	2.7
217.12285	3.7
218.10944	1.7
219.11685	7.4
219.13641	0.9
220.12447	2.8
221.09631	1.2
221.13268	6.6
222.10431	0.8
222.14020	1.0
223.11293	1.5
223.14784	3.6
225.12805	1.5
227.10712	1.1
227.14320	0.8
229.10167	1.4
230.10860	1.3
231.11678	4.5
231.13731	1.1
232.12474	2.6
233.09593	1.1
233.13258	5.7
234.13733	1.2
235.11194	1.4
235.14798	3.7
237.12715	2.9
237.16391	0.8
239.14322	1.2
243.11710	2.0
244.12465	1.0
245.09761	0.6
245.10898	0.8
245.13202	5.2
245.15381	0.8
246.10446	0.8
246.14038	3.0
247.11259	1.5
247.14804	7.3
248.15396	1.6
249.12776	1.6
249.16495	2.7
251.14415	1.7
255.13841	5.0
257.13303	2.3
258.13980	0.8
259.11218	1.1
259.14880	4.2
260.15582	2.7
261.13095	0.7
261.16425	4.9
262.17154	1.3
263.14331	2.0
263.17929	1.0
265.12225	1.5
267.13800	3.7
269.15387	1.8
270.13962	1.0
271.14777	1.5
272.15714	1.1
273.12686	1.3
273.16422	2.3
274.17175	0.7
275.14514	1.3
275.17944	2.5
276.14978	0.7
277.12381	0.9
277.15930	1.4
277.19556	0.8
279.13809	1.8
281.15469	1.1
285.16254	1.2
287.14572	1.3
287.17990	3.8
288.18652	1.0
289.16080	1.3
289.19580	2.3
291.14035	0.9
293.15463	1.0
295.17023	1.4
301.16107	1.0
301.19513	1.7
303.17459	2.1
303.21136	3.0
305.15500	1.5
305.18814	0.8
306.16263	0.8
307.17029	2.5
309.07916	0.6
318.23349	0.8
319.16989	1.7
320.17627	0.9
321.18442	3.1
322.19205	0.8
329.18842	1.4
331.20535	0.9
333.18625	1.1
333.22119	1.0
335.20111	0.9
344.21381	0.9
347.20059	2.8
349.21753	1.1
362.22327	3.3
397.25378	1.0
401.24768	17.8
402.25012	1.6
405.20441	0.8
415.26404	5.8
417.27856	11.6
418.28397	1.0
425.24780	3.1
443.25851	18.4
444.26501	1.3
461.26874	100.0
462.27307	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2687
Annotation	Vielanin B
Peak:m/z	Relative Intensity
51.20939	0.7
51.77264	0.6
53.03945	1.0
55.05505	4.1
57.07071	0.9
67.05507	4.6
69.07066	2.1
69.08286	3.8
69.08707	2.0
71.05006	0.9
72.32205	0.8
77.07503	0.7
79.05478	4.0
81.07056	4.7
83.04985	7.5
83.08616	1.4
85.06546	1.2
91.05481	3.6
93.07065	6.1
95.04977	2.3
95.08607	7.6
97.10168	0.7
105.07041	6.1
105.40156	0.7
107.08602	4.1
109.06555	1.6
109.10179	1.9
111.04437	3.9
111.08071	1.6
117.07001	2.0
119.08586	4.8
121.06487	1.3
121.10121	1.5
123.08041	1.7
123.11691	1.0
125.05962	1.1
128.06216	1.7
129.06999	2.9
131.08560	2.8
133.10159	3.6
135.08057	1.9
137.09697	0.8
139.07500	1.5
141.06985	1.8
142.07758	2.4
143.08563	4.2
144.09427	0.8
145.10115	3.1
151.07591	1.5
154.07817	1.1
155.08566	17.2
156.09306	1.3
157.10126	7.5
159.08022	1.1
159.11740	1.9
161.09601	1.9
161.13408	0.8
165.07011	1.8
165.09114	2.0
166.07881	0.8
167.07062	1.7
167.08600	2.3
168.09381	1.0
169.10088	4.5
171.11732	2.9
173.09625	0.8
175.11200	0.9
178.07774	0.8
179.07195	0.8
179.08548	3.7
180.09343	1.7
181.10133	4.0
183.11720	2.8
192.09346	1.4
193.10133	3.5
194.10869	1.3
195.08069	1.3
195.11650	5.1
196.12437	1.3
197.09653	2.7
197.13268	2.9
199.11201	1.7
203.08650	1.4
203.10565	0.8
204.09361	0.8
205.10162	3.6
205.12053	0.9
206.10890	2.4
207.11671	6.1
208.12274	1.0
209.09607	0.9
209.13283	3.8
213.12811	0.8
215.08638	0.9
215.10678	0.9
216.09309	0.8
217.10176	2.3
217.12279	1.9
218.10910	2.2
219.11714	7.5
220.12395	2.2
221.08060	1.6
221.13240	5.2
223.14914	1.2
227.10771	0.8
230.10930	0.9
231.11734	4.0
232.12447	3.1
233.13289	4.3
234.13966	1.2
235.11218	0.8
235.14948	1.1
243.11674	1.8
245.13304	5.9
246.14032	2.2
247.14792	5.5
249.16446	1.9
253.52592	0.8
255.13811	3.0
257.13083	1.1
258.97339	0.7
259.14679	3.2
260.15552	1.9
261.12701	0.8
261.16434	4.3
262.17102	1.1
265.12274	1.3
267.10904	0.8
267.13867	2.1
269.15375	1.8
271.14722	1.0
272.15512	0.9
273.16425	1.2
274.17163	1.0
275.17886	2.5
277.12244	1.3
277.19348	0.9
278.12875	0.7
279.13770	1.2
283.14877	0.9
285.16510	0.9
287.14334	1.4
287.17987	1.9
289.19705	0.8
291.13712	1.3
293.15366	1.1
301.15720	1.0
303.17630	1.5
303.20883	0.8
305.15341	1.2
306.16245	0.9
307.16965	1.4
319.16879	1.6
321.18567	2.8
329.19168	1.0
335.19897	1.0
344.21191	1.0
347.20090	3.2
349.21701	1.1
362.22498	2.6
401.25000	1.2
409.27359	0.7
415.26373	3.8
417.27667	1.0
425.24997	1.1
426.34689	0.8
443.25922	5.6
443.35001	1.7
461.26859	100.0
462.27203	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2684
Annotation	Vielanin B
Peak:m/z	Relative Intensity
53.03941	1.4
55.01880	0.9
55.05503	3.1
57.03415	0.8
58.83834	0.6
65.03941	0.6
66.87067	0.7
67.05184	0.7
67.05502	4.4
67.47877	0.7
68.54707	0.6
69.03457	1.0
69.07066	1.4
69.30205	2.7
69.30613	1.8
69.72876	0.7
71.87254	0.6
79.05485	3.5
81.07066	3.9
83.04985	9.5
91.05460	3.6
93.07049	6.6
95.04947	1.6
95.08611	9.0
97.06522	1.3
98.22608	1.6
99.04482	0.8
105.07018	5.3
107.08585	3.9
109.06503	1.8
109.10166	2.4
111.04443	4.3
111.08078	3.0
115.05463	1.0
117.07016	2.2
119.08571	6.5
121.06446	1.9
121.10175	2.0
123.08151	1.5
123.11811	0.7
123.49471	0.6
128.06248	1.5
129.07011	2.7
130.81209	0.7
131.08588	3.6
133.09256	0.9
133.10098	4.7
135.08006	2.2
137.06004	1.5
139.07555	1.0
141.06975	1.7
142.07764	1.2
143.08525	5.1
145.06493	1.6
145.10139	2.8
146.93037	0.7
147.08029	2.0
147.11713	1.6
152.06219	1.4
153.07027	1.9
154.07761	0.8
155.08551	22.4
156.09285	1.4
157.06490	1.9
157.10117	6.4
159.08044	1.0
159.11687	1.9
161.09627	2.6
161.13182	0.7
165.07022	2.8
166.07797	1.3
167.08551	5.3
169.10152	5.2
171.08041	2.1
171.11642	3.5
173.09654	1.6
173.13242	0.9
175.11154	2.0
178.07727	1.0
179.08559	5.1
180.09325	2.1
181.06447	0.8
181.10088	5.0
182.10863	0.8
183.08002	0.8
183.11668	3.9
185.09633	1.6
185.13187	1.3
187.11171	1.6
189.12817	1.2
191.08603	0.8
192.09296	2.0
193.10110	4.7
194.10844	3.3
195.08046	5.4
195.11761	4.5
196.08762	0.9
196.12512	1.0
197.09682	2.5
197.13310	2.5
199.11148	3.9
203.08577	1.2
205.10130	4.2
206.10889	4.2
207.11673	9.1
208.12396	2.5
209.09644	2.4
209.13243	8.1
211.11061	0.8
211.14803	1.4
215.08606	1.0
215.10640	1.0
216.09335	0.7
217.10179	2.2
217.12195	1.5
218.10953	1.6
219.11659	4.6
220.12453	2.2
221.09702	1.5
221.13210	7.6
222.10294	0.8
223.11261	1.5
223.14801	1.9
224.11848	0.7
224.15602	0.7
224.77080	0.8
225.09091	1.2
225.12796	1.5
229.10071	1.6
230.10844	1.1
231.11674	3.5
232.12387	1.7
233.09647	1.7
233.13245	4.2
234.10297	1.0
234.14032	1.5
235.11098	1.7
235.14787	3.0
237.12764	2.2
237.16437	1.3
239.14265	1.2
243.11667	1.1
244.12517	1.0
245.09604	1.6
245.13243	3.7
246.10423	1.6
246.13943	2.0
247.11246	1.6
247.14844	4.9
248.11845	0.9
248.15527	0.8
249.12755	3.1
249.16405	1.8
250.13441	0.8
251.14348	2.0
252.11279	0.9
253.12221	1.0
255.13802	8.8
257.13257	1.4
258.13913	0.8
259.11166	1.5
259.14758	3.5
260.11868	1.0
260.15643	1.8
261.12646	3.2
261.16342	3.2
263.10648	1.0
263.14215	0.9
263.18103	1.1
265.12033	1.3
265.15735	1.1
267.13809	8.1
268.14355	1.3
271.11368	1.1
271.14679	1.6
272.12094	0.9
273.12848	1.2
273.16452	2.0
274.13773	1.0
274.16931	1.1
275.14255	1.8
275.17917	2.8
276.18158	0.9
277.15973	1.9
279.13702	1.1
281.26813	0.9
283.14670	0.9
285.16306	1.0
287.14346	1.3
287.17908	1.6
288.15109	0.7
289.15872	1.8
291.13574	1.0
293.15402	1.7
293.18823	0.9
295.16785	0.9
299.14465	1.0
300.18549	0.7
301.15872	1.8
301.19409	1.6
303.14093	0.8
303.17422	2.6
303.20908	0.8
304.18030	1.2
305.15561	1.5
305.19193	1.8
306.16199	0.7
307.16971	2.0
311.17969	0.9
313.15823	1.0
319.16827	1.6
321.18466	3.6
323.20001	1.0
329.19116	2.5
331.20386	0.9
333.18433	1.1
344.21338	1.8
347.20032	2.9
349.21448	1.3
355.20810	0.9
362.22296	2.5
397.25360	0.9
401.17361	1.9
401.24887	2.4
415.26404	5.5
416.27216	0.9
417.27795	1.8
425.24799	4.0
443.25842	21.0
444.26041	2.8
461.26840	100.0
462.27219	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.269
Annotation	Vielanin B
Peak:m/z	Relative Intensity
53.03933	1.1
55.01868	1.0
55.05510	6.6
61.60929	0.7
67.05507	5.3
69.03442	1.5
69.07059	2.0
69.08517	5.9
71.04971	0.7
79.05508	4.1
81.03432	0.9
81.07063	7.2
83.04989	11.7
83.08605	1.1
85.06528	2.5
91.05463	6.0
93.07045	7.0
95.04969	1.8
95.08611	8.7
97.06533	0.9
105.07033	7.6
107.08583	4.4
109.06515	2.9
109.10164	2.7
111.04439	5.3
111.08099	2.0
115.05470	1.0
117.06976	2.2
119.08575	7.0
121.06487	1.9
121.10137	2.4
123.08078	1.8
127.07536	1.3
128.06215	2.7
129.07016	4.2
131.08582	5.2
133.06471	0.8
133.10136	5.5
135.08038	2.3
137.05981	3.1
139.07555	2.0
141.06987	2.5
142.07855	3.5
142.08749	0.6
143.08586	6.5
145.06395	0.9
145.10104	4.8
145.21057	0.6
147.08084	1.8
147.11702	1.7
149.06026	1.0
149.09608	0.9
151.07532	1.0
153.06984	1.2
154.07808	1.0
155.08543	15.0
156.09303	2.1
157.10141	9.1
159.08096	1.3
159.11700	2.8
161.09637	2.1
161.13234	0.7
163.11218	0.8
165.06999	2.3
165.09055	0.7
166.07693	1.1
167.08578	2.3
168.09372	1.2
169.10114	6.6
171.08150	0.8
171.11734	3.6
173.09637	2.4
175.11220	1.0
178.07793	2.0
179.08556	3.7
179.10748	0.8
180.09351	2.2
181.10110	4.4
182.10883	1.6
183.11693	3.1
184.12299	0.6
185.09637	1.2
185.13229	1.3
187.11266	1.9
191.08582	2.0
192.09335	3.3
193.10130	6.8
194.10928	2.2
195.11694	6.9
197.09645	2.0
197.13297	4.0
199.11212	2.8
202.07794	0.7
203.08644	1.9
203.10666	1.0
204.09363	2.4
205.10158	7.1
205.11987	1.3
206.10910	4.1
207.11678	8.0
208.12447	1.9
209.09680	0.9
209.13225	5.7
210.13992	0.7
211.11186	1.0
213.12801	0.9
215.08565	1.1
217.10126	4.1
217.12236	2.5
218.10896	2.8
219.11696	13.2
220.12466	3.4
221.13251	6.8
222.13756	1.4
223.11206	1.6
223.14867	2.5
225.12737	1.1
227.10632	1.4
229.10124	2.0
229.12189	0.7
230.10931	2.4
231.11703	6.5
231.13812	1.1
232.12489	4.0
233.09650	1.0
233.13248	9.0
234.13876	1.6
235.11159	1.0
235.14883	4.2
237.12862	1.4
237.16252	0.9
239.14310	1.0
243.11719	2.1
243.37578	0.8
244.12437	2.1
245.13229	7.8
245.15518	0.7
246.14067	4.0
247.11058	1.4
247.14807	8.0
248.15424	1.7
249.12822	2.2
249.16420	2.7
251.14377	1.3
255.13858	1.9
257.13269	2.5
257.15567	1.4
258.14069	1.3
259.10968	0.8
259.14807	6.1
260.15500	1.8
261.12878	2.0
261.16394	9.0
262.16852	1.2
263.14322	1.0
263.18109	1.5
265.12274	1.5
267.13858	3.5
269.15439	3.1
271.14746	1.4
272.15610	1.4
273.12695	1.5
273.16379	2.3
274.17087	1.9
275.14426	1.9
275.17944	2.8
277.12476	1.0
277.16132	1.4
277.19562	1.1
278.13049	1.3
279.13773	2.3
281.15463	1.1
285.12894	0.9
285.16077	1.5
286.17160	1.0
287.14542	1.1
287.17911	2.9
288.15234	1.0
288.18381	1.2
289.15967	1.3
289.19403	1.6
291.13861	1.2
292.14725	1.0
293.15411	1.0
295.17007	0.9
301.15906	1.4
301.19568	1.8
303.17365	2.6
303.20813	1.3
305.15414	1.7
307.16974	2.7
313.19534	0.9
315.17383	0.8
317.18985	0.8
317.22784	1.0
319.16998	1.5
320.17410	1.4
321.18546	5.1
322.19269	2.9
323.20071	2.0
327.17468	0.9
329.19019	2.8
333.18588	1.3
344.21469	0.9
347.20044	3.9
348.19913	0.8
349.21591	0.8
351.23288	0.9
359.20078	0.9
361.21744	1.3
362.22479	4.9
371.30063	0.8
397.24960	0.8
401.17603	0.9
401.24893	3.3
402.25180	0.8
415.26321	3.3
417.28174	3.4
425.24869	2.1
443.25815	9.8
444.26065	1.7
461.26877	100.0
462.27261	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2686
Annotation	Vielanin B
Peak:m/z	Relative Intensity
50.55238	0.5
53.03947	1.3
55.01877	0.7
55.05516	4.3
57.03439	0.7
57.07064	0.5
65.03952	0.5
67.05508	6.3
68.05822	0.5
69.00251	4.6
69.03438	1.3
69.07085	2.3
71.04989	0.8
79.05500	4.5
81.03443	0.6
81.07064	6.9
83.01338	0.6
83.04493	0.6
83.04983	10.2
83.05452	0.6
83.08644	1.2
85.02911	0.5
85.06540	2.3
91.05466	7.6
93.07037	7.3
95.04994	2.0
95.08609	9.6
96.08932	0.6
97.02907	0.4
97.06548	1.3
99.04472	0.7
99.08128	0.4
103.05472	0.8
105.07040	7.5
107.04968	0.9
107.08602	4.4
109.06545	2.1
109.10146	2.9
111.04452	5.2
111.08075	2.7
113.74012	0.4
115.05473	0.9
116.49229	0.4
117.07034	2.9
119.04957	0.9
119.08584	6.4
121.06519	1.7
121.10152	2.1
123.08075	2.7
123.08887	0.5
123.11717	1.0
125.05968	0.5
127.07587	0.8
128.06247	1.8
129.07019	4.5
130.07796	0.9
131.08586	5.9
131.73807	0.4
133.10117	5.5
135.08049	2.7
135.11716	0.8
137.05988	2.1
137.09601	0.9
139.07579	1.1
140.49904	0.5
141.06987	2.8
141.09120	0.7
142.07788	4.1
143.08562	5.7
144.09268	0.9
145.06525	1.7
145.10124	4.7
147.08075	1.7
147.11707	1.7
149.09660	1.5
151.07550	11.3
152.06308	0.5
153.06976	0.8
154.07784	1.5
155.08560	13.9
156.09254	1.9
157.06473	0.5
157.10143	8.7
158.07277	0.5
158.10657	0.7
159.08084	2.1
159.11690	3.1
161.09645	1.8
161.13345	1.0
162.06763	0.5
163.07539	0.7
163.11259	0.8
165.06982	2.2
165.09082	2.7
166.07805	1.3
167.07190	0.8
167.08594	2.5
167.73119	0.4
168.09303	1.4
169.10130	4.9
170.10637	0.7
171.08067	0.8
171.11691	4.2
173.09653	1.2
175.07574	0.8
175.11238	1.2
176.08340	1.2
177.09120	8.4
179.08606	4.5
179.10622	0.6
180.09360	1.8
181.10127	4.2
182.10869	1.3
183.08130	0.7
183.11763	2.8
184.08833	0.6
185.09628	0.7
185.13303	1.5
187.11221	2.1
189.09178	0.8
189.12921	0.6
190.07901	0.5
190.09863	0.6
191.08670	1.8
191.10663	12.9
191.12419	0.6
192.09361	2.8
193.10138	5.6
193.11865	0.7
194.10895	2.0
195.11693	7.5
196.12285	1.3
197.09648	1.7
197.11606	0.6
197.13235	2.8
199.11226	2.1
201.08965	0.6
201.12727	0.6
202.07709	0.5
203.08591	1.5
203.10564	0.8
204.09435	2.3
205.10194	5.7
205.12286	7.2
206.10899	4.4
206.12590	0.6
207.11697	9.0
208.12444	2.2
209.09775	0.7
209.13274	4.7
210.10062	0.5
211.11200	0.8
211.14890	1.4
213.09239	0.5
213.12755	0.6
215.08621	1.1
215.10622	0.9
216.09489	1.2
217.10117	3.8
217.12285	2.1
218.10930	2.6
219.11707	12.3
219.13622	0.7
220.12360	2.4
221.09663	1.2
221.13258	6.5
222.13992	1.3
223.11263	0.9
223.14850	1.5
225.12752	1.2
227.10846	0.9
229.10181	1.2
229.12303	0.6
230.10971	1.9
231.11723	5.3
232.12430	3.1
233.09697	1.0
233.13261	7.8
234.13969	1.9
235.11227	0.8
235.14844	3.2
237.12822	1.4
239.14284	0.9
241.12181	0.8
242.10851	0.7
243.11694	2.4
244.12561	1.6
245.09679	0.8
245.13255	7.1
246.10382	1.0
246.13956	3.2
247.11136	1.2
247.14845	7.2
248.15552	1.1
249.12863	1.7
249.16388	2.1
251.14264	1.2
253.12209	0.8
255.11633	0.6
255.13968	1.5
256.12473	0.7
257.13281	1.9
257.15472	1.5
258.14142	1.5
259.11816	0.6
259.14807	7.4
260.15613	2.3
261.12955	2.4
261.16318	6.1
262.17123	0.8
263.11002	0.7
263.14410	1.5
263.17981	0.9
265.12335	1.7
267.13852	3.2
269.15475	2.2
271.14886	2.0
272.15475	0.5
273.12848	1.0
273.16449	2.6
274.17224	1.4
275.14407	1.2
275.17984	2.9
276.18555	0.6
277.12378	1.3
277.15967	1.4
277.19574	0.8
278.13116	0.9
279.13840	2.3
281.15320	0.6
283.14743	1.0
285.16422	1.2
287.14417	1.2
287.17990	2.9
288.15024	0.7
288.18353	0.8
289.12674	0.5
289.15933	1.4
289.19550	1.8
291.13876	1.8
293.15607	1.1
295.17044	1.2
299.17896	0.8
301.15848	1.3
301.19543	1.4
302.16830	0.5
302.20233	0.8
303.14017	1.0
303.17493	2.6
303.21036	1.2
304.14496	0.6
305.15408	1.3
305.19031	0.8
306.16162	0.7
307.17050	2.1
314.16544	0.6
315.20856	0.6
317.15326	1.0
319.16974	2.8
320.17856	1.0
321.18478	3.6
322.19360	2.5
323.20157	1.7
329.19070	1.5
333.18433	0.8
333.22293	0.7
334.19254	0.6
341.19171	0.6
343.20547	0.6
344.21457	1.2
347.20166	3.6
349.21686	1.1
361.21686	0.8
362.22427	4.7
363.22821	0.6
401.17078	0.9
401.25220	2.0
407.23941	0.5
410.68295	0.5
415.26587	2.5
417.20236	0.5
417.27957	2.2
425.24786	1.7
443.26083	7.2
443.31522	0.9
444.26196	1.5
461.26932	100.0
462.27316	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.6
55.01871	1.5
55.05511	9.1
56.12555	0.6
57.03437	1.5
57.07059	1.1
60.71212	0.6
60.95014	0.6
65.03938	1.4
66.76835	0.7
67.05508	18.1
69.03413	1.9
69.07069	8.3
71.04998	1.1
73.48631	0.6
77.99022	0.6
79.05057	1.4
79.05489	16.4
81.03412	12.0
81.07056	20.3
83.04983	9.2
83.08620	5.2
85.06555	3.9
91.05475	15.8
92.39118	0.6
93.07041	16.7
93.45676	0.7
94.07387	0.9
95.04971	9.3
95.08046	1.2
95.08609	19.0
97.02866	0.8
97.06508	2.7
97.10156	1.3
99.04478	1.0
103.05480	1.1
105.04473	0.9
105.07034	16.3
107.04948	2.0
107.08597	10.5
109.06524	4.6
109.10160	4.4
111.04431	3.9
111.08088	4.2
113.05978	1.3
115.05447	2.2
117.07026	5.5
119.08577	11.2
120.08827	0.6
121.06510	4.2
121.10141	6.3
123.08047	4.7
123.11713	1.4
125.05988	1.1
125.09595	1.9
127.11200	1.0
128.06194	4.1
129.07001	7.6
131.08566	9.3
133.06497	2.0
133.10141	8.4
135.08055	3.6
135.11696	1.6
137.09679	1.5
139.07590	0.8
141.06956	3.6
141.09119	0.9
142.07758	3.0
143.08569	8.6
144.09340	1.4
145.06502	2.1
145.10132	6.5
147.08055	3.2
147.11674	3.5
149.09688	1.2
149.13272	3.6
153.06960	3.0
154.07764	1.8
155.08537	9.7
156.09357	3.2
157.06512	1.1
157.10121	10.2
159.08046	2.5
159.11687	5.7
161.09616	3.7
161.13226	1.4
163.07538	0.9
165.06990	5.1
166.07748	2.8
167.08571	5.6
168.09291	1.1
169.10101	9.7
170.10750	1.1
171.08040	1.6
171.11684	4.1
173.09564	1.7
173.13304	1.4
175.07578	0.8
175.11147	2.8
177.09116	0.9
177.12717	1.4
178.07767	3.0
179.08566	10.6
180.09340	3.8
181.04985	0.9
181.10117	10.0
182.10960	1.2
183.11656	4.2
185.09622	2.3
185.13272	1.1
187.11125	2.2
189.09203	1.3
189.23305	0.8
190.07765	1.0
191.08553	5.3
191.10570	1.3
192.09311	6.5
193.10110	14.8
193.12193	4.3
194.10812	3.2
195.06485	1.8
195.08080	1.4
195.11726	10.7
195.13521	1.5
196.12340	1.4
197.09645	2.3
197.13266	3.7
199.11243	1.2
199.14838	1.2
201.09074	1.0
201.12811	0.9
202.07787	1.4
203.08531	4.4
203.10387	0.7
204.09329	5.0
205.10124	12.9
206.10884	10.9
207.11684	18.7
208.12444	4.2
209.09648	1.8
209.13243	8.3
210.13663	0.8
211.11185	1.8
211.14850	2.0
213.09122	1.4
213.12701	1.7
215.08595	1.4
215.10632	1.4
216.09274	1.7
217.10181	8.5
217.12148	1.0
218.10846	6.9
219.11691	26.3
220.12402	4.8
221.09633	1.0
221.13252	14.7
222.13919	2.3
223.11302	3.9
223.14787	3.8
225.09209	1.2
225.12733	1.4
227.10498	1.0
227.14313	1.1
229.10072	2.0
230.10875	2.6
231.11700	10.9
232.08708	1.3
232.12447	5.8
233.09569	2.1
233.13232	16.2
233.15097	0.6
234.14003	3.5
235.11194	2.1
235.14801	7.2
236.11694	0.9
237.09026	1.2
237.12688	2.4
237.16342	1.8
239.10640	2.1
241.12256	1.3
243.11633	3.3
244.12468	2.4
245.09633	0.8
245.13246	9.2
246.13971	7.5
247.11194	3.9
247.14810	12.4
248.11842	0.8
248.15518	3.9
249.12788	4.3
249.16582	3.3
251.10600	2.1
251.14471	1.6
252.11383	0.9
253.12253	1.7
255.13765	2.0
257.13193	1.9
258.14130	1.1
259.11111	1.3
259.14792	5.8
260.12372	0.7
260.15561	3.6
261.12778	4.4
261.16373	19.7
262.13205	1.2
262.17093	7.5
263.14612	1.3
263.17902	7.3
264.11475	0.8
265.12247	5.6
267.13803	7.3
270.13828	0.9
271.14798	1.5
272.15500	0.9
273.12888	1.3
273.16364	4.3
274.17096	1.4
275.14670	1.3
275.17932	6.1
277.12253	1.1
277.15680	1.2
277.19379	2.1
279.13797	5.3
280.14374	0.8
281.15228	2.4
285.16299	1.8
286.16751	1.4
287.14517	1.6
287.17868	4.2
288.15091	1.2
288.18497	1.1
289.15778	1.9
289.19461	2.3
290.16061	0.7
291.13669	1.8
293.15311	2.7
299.14380	1.2
299.17798	0.9
301.15891	1.6
301.19415	2.1
303.17374	7.9
303.20773	1.3
304.17865	0.9
305.15369	1.4
305.18814	1.5
306.16296	0.9
307.16937	3.1
319.16925	1.9
320.17587	1.1
321.18481	20.5
322.19156	4.5
323.20096	6.4
324.20334	1.2
329.18942	1.6
333.18381	1.5
341.18796	1.3
345.18573	0.9
347.20065	3.8
349.21661	1.2
351.22900	1.0
355.20508	1.0
359.19968	0.8
361.21552	1.4
362.22360	3.2
369.24142	2.5
373.21729	1.4
375.23062	0.9
387.25391	1.0
401.24792	34.6
402.25372	3.3
405.20724	1.2
415.26382	4.5
417.27899	8.1
425.24634	3.0
441.56146	0.7
443.25812	20.2
444.26071	1.8
461.26837	100.0
462.27161	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2685
Annotation	Rudbeckiolide
Peak:m/z	Relative Intensity
51.02367	0.9
53.03942	3.5
55.01869	1.8
55.05266	1.1
55.05510	12.4
57.03419	1.6
57.07054	1.5
57.29539	0.6
59.05018	1.1
65.03938	1.0
67.05506	18.0
67.65012	0.7
69.01247	5.9
69.03428	1.9
69.07066	7.2
71.04976	2.1
77.03925	1.0
77.86706	0.7
79.05495	11.3
81.03046	0.7
81.03429	7.5
81.07060	17.8
81.97715	0.7
83.04990	16.9
83.08591	3.9
85.06530	3.3
91.05473	14.5
93.07044	16.0
95.04980	7.3
95.08607	18.2
96.08904	0.9
97.02897	0.8
97.06527	2.2
97.10184	1.1
99.00843	0.9
99.04436	1.6
103.05437	0.9
105.03400	8.9
105.07043	12.0
106.03726	2.1
107.04935	2.4
107.07938	1.1
107.08603	10.5
109.06530	4.9
109.10160	4.6
111.04446	7.4
111.08073	6.0
113.05980	0.8
115.05451	2.4
117.07026	4.9
119.04948	0.7
119.08586	13.2
121.06514	2.8
121.10147	5.5
123.08036	3.1
123.11697	1.2
125.09592	1.7
128.06207	3.4
129.07018	7.2
131.08571	9.2
133.06474	2.0
133.10136	7.8
135.08058	3.5
135.11691	2.1
137.05959	2.2
137.09601	1.6
139.07553	3.4
141.06985	3.5
142.07793	6.6
143.08568	7.8
144.09326	1.6
145.06470	2.7
145.10120	7.1
147.08047	3.3
147.11679	4.4
149.09612	2.5
149.13281	2.4
151.07538	1.4
153.05406	0.8
153.07043	1.3
154.07841	1.2
155.08553	16.1
156.09346	4.9
157.06476	1.4
157.10143	16.6
159.08067	2.3
159.11697	6.0
161.09637	3.3
161.13242	1.4
163.07610	0.8
165.05663	1.0
165.07022	4.0
165.09102	1.9
166.07753	2.0
167.07033	2.0
167.08568	6.1
168.09369	1.3
169.10141	10.8
170.10809	1.1
171.08069	1.7
171.11717	6.1
173.09641	3.9
173.13246	2.2
175.11244	2.0
175.14861	0.8
177.09122	1.6
177.12761	0.9
178.07785	2.3
179.08571	11.4
180.09351	3.3
181.04971	1.2
181.10097	8.4
182.10870	2.1
182.83624	0.7
183.08072	1.0
183.11688	5.3
184.08900	1.1
184.12158	1.0
185.09665	2.5
185.13240	2.7
187.11176	2.5
189.07071	0.9
189.09164	1.4
189.12743	1.1
191.08597	1.4
191.10605	1.0
192.09352	4.4
193.10141	8.8
193.12183	2.5
194.10922	7.3
195.06516	2.9
195.11673	7.7
196.12424	2.4
197.09628	2.5
197.13266	5.4
199.11131	3.8
199.14880	1.9
201.12753	1.2
203.08597	2.1
203.10559	1.0
204.09300	2.0
205.10138	7.4
205.12047	0.9
206.10895	6.5
207.08273	1.2
207.11728	10.5
207.13684	1.3
208.12482	3.7
209.08038	1.2
209.09842	1.1
209.13268	15.9
210.13768	1.2
211.14819	4.2
213.09247	1.0
215.14449	0.9
216.09348	1.5
217.10085	3.6
217.12239	3.6
218.10886	3.5
219.11679	10.3
219.13657	1.0
220.12477	3.3
221.09726	1.5
221.13260	7.8
222.13913	1.6
223.09412	1.4
223.11275	1.7
223.14853	4.8
225.12715	1.7
227.14209	1.1
229.10049	1.7
230.10928	2.4
231.11670	7.2
232.12509	3.7
233.09648	2.2
233.13307	8.7
234.13982	1.9
235.11278	1.7
235.14841	5.5
237.12804	2.4
237.16385	1.1
239.14349	2.1
241.15994	0.9
243.11720	2.4
244.12506	2.7
245.09677	0.9
245.13228	7.2
246.14061	5.3
247.11130	1.3
247.14832	9.2
248.15471	2.1
249.12796	2.2
249.16504	3.9
251.10513	0.8
251.14365	2.0
253.15797	1.1
255.13808	4.2
257.13187	2.4
257.15491	1.2
258.10333	0.9
258.13962	1.3
259.11182	1.3
259.14777	6.6
260.15561	3.1
261.12778	1.4
261.16409	8.5
262.17007	1.8
263.14301	2.7
263.17923	2.7
265.12222	2.1
265.15979	0.9
267.13852	3.8
269.15381	2.0
271.11118	0.9
271.14719	1.7
272.15500	1.2
273.12894	1.1
273.16382	3.6
274.17166	1.6
275.14465	1.9
275.17957	4.8
277.12289	1.6
277.15845	2.2
279.13824	1.7
285.16287	1.6
286.13626	0.8
286.16983	1.4
287.14456	1.1
287.17953	5.1
288.18625	1.5
289.15857	1.9
289.19437	2.6
291.13696	1.2
293.14960	1.6
295.17142	3.4
299.17978	0.9
301.16104	1.3
301.19489	2.1
302.20224	1.3
303.13989	1.1
303.17426	1.7
303.21045	3.3
304.14685	0.8
305.11887	1.5
305.15521	1.3
305.18869	1.6
306.16010	1.5
307.16867	1.9
315.20786	0.9
316.21796	0.9
319.16934	2.0
321.18439	4.7
322.19229	1.5
323.19968	2.1
329.19012	2.8
331.20465	1.4
333.18445	1.2
333.21994	1.2
334.19199	0.9
335.20230	1.4
341.18976	1.2
343.20413	1.2
344.21222	1.8
347.20013	4.6
348.20514	1.2
349.21494	1.4
351.23016	2.2
359.19931	1.0
361.21484	2.1
362.22321	4.6
363.15765	1.1
363.22894	0.9
369.24295	1.7
383.23624	1.1
387.24490	1.2
401.17215	3.9
401.24777	27.7
402.25046	2.1
405.20807	1.1
407.23560	1.3
415.26279	4.6
417.27924	16.4
418.28259	2.0
425.24588	4.1
443.19199	0.8
443.25803	17.3
444.26471	1.6
461.19635	5.1
461.26862	100.0
461.32513	7.9
462.27249	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2685
Annotation	Vielanin B
Peak:m/z	Relative Intensity
53.03950	0.9
55.05512	4.1
57.03437	0.5
57.07081	0.5
65.03941	0.6
66.85473	0.4
67.05504	6.6
69.03436	0.8
69.07071	2.4
71.04984	0.6
79.05495	3.8
81.03419	0.6
81.07047	6.6
82.70256	0.4
83.04983	11.1
83.08615	0.8
85.02888	0.6
85.06548	1.8
91.05467	6.2
93.07039	7.4
94.07383	0.4
95.04942	2.1
95.08600	9.6
97.02908	0.6
97.06544	1.0
98.22592	1.5
99.04475	0.9
103.05435	0.4
104.70505	0.4
105.07021	6.5
107.04951	0.8
107.08593	5.1
109.02861	0.5
109.06512	2.1
109.10165	1.7
111.04426	5.5
111.08080	2.9
113.05981	0.5
115.05466	1.3
117.07018	2.9
119.08584	6.1
121.06517	2.1
121.10136	2.3
123.08065	2.7
123.11741	0.8
127.07580	0.5
128.06204	2.3
129.05556	0.4
129.07011	4.1
130.07793	0.6
131.08591	5.0
133.06555	0.6
133.10132	4.3
134.20277	0.5
135.07188	0.4
135.08025	2.2
135.11720	1.0
137.06000	1.3
137.09613	0.8
137.13350	0.4
139.07561	1.4
141.06953	2.2
141.09117	0.8
142.07773	3.5
143.08566	5.5
144.09415	0.6
145.06493	1.4
145.10132	4.4
147.08083	1.4
147.11711	2.2
149.09648	1.6
149.13280	0.6
151.07542	6.4
152.07942	0.4
153.07059	1.0
154.07828	0.8
155.08542	13.4
156.09378	1.8
157.10120	9.0
158.10567	0.5
159.08087	1.6
159.11693	3.1
161.05984	0.6
161.09654	2.9
163.07614	0.9
163.11176	0.8
165.07025	2.6
165.09097	4.7
166.07840	1.3
167.07133	0.9
167.08612	2.5
168.09349	1.0
169.10124	4.9
170.10828	0.7
170.12320	0.5
171.08105	1.4
171.11676	3.5
173.09648	1.8
175.07594	0.9
175.11203	1.3
176.08344	0.5
177.06821	0.4
177.09093	4.3
178.07764	1.1
179.08533	4.0
179.09967	0.4
179.10736	0.5
180.09372	1.6
181.10112	3.6
182.10893	1.0
183.08011	0.7
183.11693	3.5
184.12360	0.5
185.09679	1.8
185.13312	1.5
187.11218	2.3
189.09224	0.8
189.12798	0.9
191.08669	1.3
191.10727	7.7
192.09319	3.2
193.10136	5.6
193.11983	0.5
194.10934	2.7
194.12465	0.4
195.08061	0.8
195.11687	5.6
196.12531	0.7
197.09612	2.0
197.13258	2.2
198.13693	0.6
199.11191	2.3
201.09224	0.5
202.07826	0.8
203.08635	1.5
203.10661	1.0
204.09419	1.9
205.10196	5.5
205.12291	4.8
206.10886	3.7
207.11684	8.5
207.13640	0.5
208.12523	1.4
209.09654	0.9
209.13255	3.6
211.11186	0.8
211.14827	0.8
213.09169	0.6
213.12689	0.7
215.08601	1.1
215.10783	1.0
216.09384	0.8
217.10172	3.5
217.12308	2.0
218.10942	2.9
219.11688	12.6
220.12422	2.3
221.09615	0.5
221.13234	6.3
222.10472	0.6
222.13853	0.6
223.11263	1.3
223.14888	1.4
225.12831	1.2
227.10693	0.9
229.10176	1.4
229.12282	0.8
229.56400	0.5
230.10957	1.8
231.11746	5.1
231.13815	0.8
232.12363	3.1
233.09602	1.0
233.13284	7.2
233.15436	0.3
234.10229	0.5
234.14058	1.9
235.11240	1.1
235.14809	3.1
237.12868	0.9
239.14330	0.9
241.12434	0.6
243.11728	2.0
243.13896	0.6
244.12482	1.6
245.13264	6.4
245.15630	0.5
246.10489	1.0
246.13928	3.4
247.11143	1.1
247.14810	6.3
248.15613	1.1
249.12819	1.9
249.16409	1.8
251.10651	0.5
251.14383	1.3
253.12274	1.0
254.13153	0.5
255.11633	0.8
255.13997	1.0
256.12390	0.7
257.13159	1.9
257.15533	1.3
258.14072	1.4
259.11188	0.5
259.12109	0.7
259.14816	6.1
260.15396	2.1
261.12833	2.6
261.16397	7.3
262.13748	0.8
262.16766	0.9
263.14401	1.4
263.18024	1.3
265.12393	2.3
265.15866	0.4
267.13757	3.5
268.14575	0.6
269.15518	2.4
271.11478	0.4
271.14844	1.5
272.15533	1.0
273.12808	1.3
273.16458	2.7
274.17249	1.5
275.14389	1.9
275.17993	2.6
276.18680	0.8
277.12473	0.7
277.15991	1.1
277.19537	0.7
278.13031	0.7
279.13858	2.2
281.15536	0.9
283.14685	0.5
284.15536	0.5
285.13110	0.6
285.16489	1.2
287.14697	0.8
287.18030	3.3
288.15076	0.7
288.18723	0.9
289.12833	0.5
289.15985	1.7
289.19604	2.0
290.13269	0.5
290.16608	0.5
290.20276	0.5
291.13922	1.8
291.17142	0.7
292.14560	0.7
293.15451	1.5
295.17062	0.9
299.18073	0.7
301.15912	1.3
301.19272	0.9
302.16937	0.6
302.20224	0.7
303.14029	0.9
303.17514	2.3
303.21057	1.1
304.14670	0.7
304.18134	0.7
305.15424	1.4
305.18793	0.6
306.16385	0.7
307.16992	2.4
311.17963	0.5
313.15869	0.5
313.19379	0.6
315.17526	0.9
315.21085	0.5
317.15408	0.6
319.16653	2.1
320.17456	1.0
321.18451	4.1
322.19272	2.3
323.20251	2.2
329.19156	1.4
331.16974	0.8
331.20590	0.6
333.18726	0.9
335.20251	0.7
339.17505	0.6
341.19040	0.9
344.21347	1.0
345.18594	0.8
347.20166	2.9
349.21686	1.3
351.23291	0.7
361.21875	1.2
362.22330	5.2
363.23096	0.6
401.25296	1.9
415.21918	0.8
415.26953	2.8
417.27908	1.9
425.24805	1.7
443.26263	7.1
443.31863	0.5
444.26413	0.6
461.26981	100.0
462.27451	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2689
Annotation	Rudbeckiolide
Peak:m/z	Relative Intensity
55.05511	6.1
58.17276	1.0
61.67980	1.0
67.05504	6.4
69.03437	1.3
69.07071	3.0
69.63336	5.5
73.04723	1.3
73.74026	1.1
79.05502	5.9
81.07059	11.3
83.04984	12.0
83.08643	1.8
85.06558	1.5
91.05441	7.5
93.07053	8.5
94.52534	1.1
95.04986	3.3
95.08607	9.7
97.06519	1.5
105.07021	9.6
107.08580	5.8
109.06532	4.6
109.10159	2.6
111.04453	7.2
111.08097	4.3
115.05444	2.1
117.07062	3.6
119.08566	10.4
121.06544	2.7
121.10177	1.9
123.08086	2.9
128.06261	1.9
129.07016	5.1
131.08580	5.7
133.06531	1.2
133.10152	6.6
135.08081	3.4
137.05966	9.7
139.07568	2.0
141.07002	4.3
142.07806	4.6
143.08578	8.5
145.10143	4.7
147.08072	2.3
147.11662	2.6
149.05890	1.3
149.09625	2.6
151.07597	1.0
153.07082	1.2
155.08545	14.1
156.09378	6.1
157.06470	1.1
157.10117	15.6
159.08119	2.7
159.11717	3.9
161.09642	2.4
163.07639	1.4
165.07059	3.6
166.07770	1.6
167.08545	6.7
168.09346	1.7
169.06322	1.0
169.10115	11.9
171.11690	7.6
173.13307	1.5
177.09140	1.3
178.07835	1.7
179.08557	7.8
180.09245	2.4
181.10089	7.2
182.10959	2.3
183.11748	5.3
185.09608	1.5
185.13286	2.5
187.11246	2.2
189.08971	1.3
191.08614	2.3
192.09433	4.1
193.10204	5.7
194.10851	7.1
195.11723	7.0
196.12428	2.4
197.09624	2.0
197.13263	5.8
199.11203	2.6
201.09146	1.4
203.08653	1.8
203.10841	1.4
204.09314	1.6
205.10123	3.9
205.12228	1.2
206.10918	4.1
207.11749	9.0
208.12425	3.3
209.09767	1.5
209.13255	16.5
210.13831	1.3
211.11111	1.4
211.14871	5.8
213.09039	1.5
215.10803	1.4
217.10283	2.1
217.12271	4.6
218.10870	2.1
219.11736	9.2
220.12430	2.6
221.09805	1.7
221.13223	7.7
222.13702	1.3
223.11295	1.2
223.14822	3.6
225.12802	2.2
227.10663	1.7
229.10117	2.2
230.11018	1.4
231.11754	5.4
232.12524	3.2
233.09700	1.3
233.13255	6.7
234.13928	1.9
235.11224	2.5
235.14841	2.6
237.12711	3.3
243.11745	1.6
243.13965	1.6
244.12488	3.2
245.13222	6.4
246.14069	3.8
247.14905	7.3
248.15459	1.6
249.12654	1.6
249.16502	2.3
251.14339	2.1
253.12270	2.2
255.13817	3.1
257.13239	2.3
259.14905	3.5
260.15549	2.8
261.12967	1.1
261.16403	8.0
262.17044	1.9
263.10712	1.4
263.14566	2.4
263.17831	1.7
264.11349	1.3
265.12152	2.9
267.13870	3.7
269.15689	1.7
270.14136	1.6
271.14886	1.8
273.12943	1.6
273.16315	2.3
275.14310	1.6
275.18002	3.6
277.15942	1.7
279.13712	2.2
281.15417	1.6
285.16415	1.5
286.17029	1.5
287.17923	3.9
288.18561	1.8
289.16116	1.7
289.19614	2.6
291.13803	2.8
293.15482	2.1
295.17105	2.3
301.19672	2.4
303.17419	2.9
303.21115	2.7
305.18994	1.7
307.17117	2.0
315.21152	1.3
319.17117	2.3
320.17700	1.5
321.18512	2.5
323.20432	1.8
324.13751	1.3
335.19797	1.2
345.18414	1.9
347.20038	3.2
349.21576	1.8
359.02917	1.3
361.21423	1.3
362.22522	4.0
384.23856	1.3
401.24731	17.7
401.29538	1.4
402.25330	2.1
405.20834	1.3
415.26288	4.7
417.27905	18.4
418.28067	2.2
425.24960	4.8
443.19351	2.1
443.25742	21.9
444.26288	1.9
461.26895	100.0
462.27090	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01859	1.6
55.05511	4.9
57.03442	2.4
60.77134	0.3
61.02906	0.4
65.03943	0.8
67.05170	0.7
67.05503	6.6
69.03429	3.2
69.07077	2.1
71.04986	0.7
71.08619	0.4
73.02923	4.5
79.05493	4.0
81.03404	1.1
81.07059	38.7
82.07369	1.1
83.04969	1.3
83.08614	0.6
85.02903	4.9
85.06543	1.0
86.03259	0.4
87.00848	0.7
87.04465	1.1
91.05453	2.6
93.07052	4.6
95.04965	1.4
95.08604	16.1
96.08936	0.6
96.91149	0.4
97.02907	2.3
97.06511	1.0
97.10155	0.4
99.04446	0.4
99.08093	26.2
100.08433	0.7
100.11271	1.0
101.06024	0.4
103.05459	0.5
105.07053	3.9
107.04964	1.1
107.08606	2.5
108.04498	0.4
108.05746	0.9
109.02889	1.0
109.06517	3.2
109.10148	1.9
111.04443	1.7
111.08066	0.9
113.06034	0.9
115.03918	1.6
115.07580	0.8
117.06987	0.6
119.08575	2.1
121.02832	2.2
121.06504	1.6
121.10134	1.4
123.04489	0.5
123.08069	10.9
123.11697	1.1
125.05932	0.4
127.03915	1.4
127.07557	10.4
129.07028	0.7
131.08577	1.7
133.04973	1.6
133.10132	2.8
135.08063	2.8
135.11685	1.3
137.05981	2.7
137.09662	0.9
139.03937	0.4
139.07561	0.7
141.09102	2.6
143.07065	0.6
143.08549	0.4
145.04929	1.7
145.08586	1.6
145.10123	2.0
147.08032	0.4
147.11673	1.2
149.09628	1.3
149.13252	0.8
151.07541	100.0
151.11134	1.6
152.07870	3.5
153.01843	2.2
155.08490	0.7
155.10641	0.4
157.10118	0.8
159.03000	0.5
159.08034	1.0
159.10182	1.8
159.11723	1.0
161.05945	0.7
161.09622	1.5
161.13283	1.0
162.06767	0.6
163.06194	0.4
163.07507	1.0
163.11208	1.8
164.08011	0.5
165.09091	2.3
167.07054	0.8
167.14334	0.8
171.11678	0.8
173.08098	3.7
173.09622	1.3
175.07556	1.0
175.11160	2.6
176.08321	0.9
177.09103	8.9
178.07954	0.5
178.09496	0.6
181.10207	0.6
187.09660	0.9
187.11224	1.5
189.09090	3.1
189.12764	0.8
189.16396	0.5
190.09851	0.7
191.10674	16.5
192.11044	1.1
193.08617	1.9
195.10104	0.8
195.11740	0.6
196.10490	1.4
199.11176	0.7
201.05466	0.4
201.12758	0.5
202.09729	0.5
203.10710	1.3
205.12231	6.3
206.12483	0.5
207.11713	0.4
209.13164	0.6
210.14844	0.5
215.10692	1.2
217.12331	0.7
219.13875	0.5
229.04933	0.6
229.12160	0.9
231.13794	0.9
235.14931	0.4
245.04501	0.4
259.16901	0.6
274.04831	0.8
279.19614	1.6
285.03775	0.6
285.11288	0.6
287.05441	4.6
287.14224	0.4
288.05911	0.8
293.21140	0.6
299.05453	0.6
302.04172	2.3
305.21075	0.8
317.06528	16.7
318.06888	1.4
323.22327	1.1
397.27399	0.7
443.21973	0.4
443.27606	0.6
461.28906	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61002	0.3
51.57097	0.4
52.65100	0.3
53.03941	0.7
55.01876	0.7
55.05507	3.9
57.03439	0.3
57.07063	0.5
65.03946	0.5
67.05503	7.5
69.03399	1.5
69.03790	3.0
69.07063	3.1
71.08640	0.4
71.65722	0.3
74.58450	0.3
77.35004	0.3
79.05502	3.2
81.03406	0.8
81.07061	8.8
83.01334	2.1
83.04984	2.3
83.08619	1.5
83.84279	0.3
84.08302	0.3
84.08887	0.4
85.06519	0.8
91.05467	4.3
93.07042	3.9
95.04984	0.9
95.08609	11.9
97.06538	0.6
97.10175	1.2
98.22557	0.6
99.08111	0.4
100.11245	0.4
101.05981	0.6
103.05449	0.4
105.07026	4.8
107.04964	0.6
107.08595	2.6
109.06512	1.0
109.10163	4.6
111.04446	7.5
111.08085	0.5
111.11760	0.5
114.19794	0.4
115.05483	0.5
117.07032	1.5
119.08596	2.3
119.77090	0.4
121.06509	3.6
121.10125	2.6
121.98990	0.3
122.07266	0.5
123.08072	9.7
123.10918	0.4
123.11708	1.8
125.09670	0.4
128.06236	0.5
129.07008	1.2
130.07841	0.5
131.08562	5.3
133.06479	0.4
133.10118	1.4
135.08055	10.0
135.11710	1.7
137.05952	1.1
137.09618	1.5
137.13240	0.9
139.11200	0.6
141.07018	0.3
142.07863	0.4
143.08542	0.9
144.09338	0.4
145.06430	0.5
145.10080	4.4
147.08031	1.0
147.11673	0.8
149.05994	0.7
149.09605	5.4
149.13268	0.9
151.07536	84.8
152.07838	2.8
155.08568	1.2
157.10164	0.8
158.07234	0.8
159.08034	5.8
159.11699	2.2
161.05978	1.6
161.09610	1.4
162.06772	4.3
163.07507	1.8
163.11206	7.7
163.14828	0.6
165.09113	12.1
167.07086	1.8
167.08414	0.5
169.10115	0.6
170.12422	0.4
171.11653	0.8
172.08812	1.1
173.09598	5.0
175.07545	2.9
175.11209	0.8
176.08322	8.6
177.09106	64.8
177.12531	1.2
178.09427	2.4
179.08615	0.4
187.11176	2.8
189.09090	1.3
189.12766	0.4
190.09871	4.4
191.10663	100.0
192.10956	3.2
193.10141	0.5
195.11671	0.7
199.11185	0.7
199.14870	0.4
203.10663	2.0
205.12236	63.7
206.12535	2.5
207.11676	0.5
211.11023	0.4
215.10678	0.5
217.12196	1.6
219.11763	0.5
219.13785	5.7
231.13689	0.5
233.13315	0.5
233.15463	0.5
251.23747	0.8
255.13846	0.4
268.60889	0.4
277.25177	0.4
323.25751	0.9
332.90027	0.3
369.23621	0.4
397.31122	0.8
415.26700	0.5
415.31934	3.9
416.32120	0.4
425.20648	0.4
425.30460	0.9
443.21927	0.9
443.31555	1.0
461.22543	1.1
461.27451	1.7
461.33118	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67075	0.5
53.03947	0.7
55.05522	3.0
57.03439	0.5
67.05501	6.3
69.03438	2.4
69.07070	2.7
69.08708	3.7
71.04995	0.5
73.04749	0.5
77.33820	0.5
79.05498	3.1
81.07058	12.8
83.01331	1.6
83.04977	1.9
83.08634	2.4
85.06536	0.9
91.05458	4.9
93.07054	3.1
95.04980	0.9
95.08611	12.4
97.02911	0.7
97.10170	1.0
97.74795	0.4
100.11282	1.0
103.05442	0.6
105.07034	3.9
107.08586	1.9
108.05740	0.9
109.06503	2.3
109.10153	3.7
111.04447	8.5
111.11696	0.8
115.05438	1.2
117.06232	0.5
117.06963	2.2
119.04958	0.6
119.08585	2.0
121.06526	2.9
121.10159	2.2
123.08066	10.7
123.11713	2.1
124.28307	0.4
128.06224	1.5
129.07008	3.3
130.07780	1.2
131.08568	4.0
133.10161	1.1
135.08057	11.6
135.11655	1.2
137.05981	7.6
137.09596	1.2
137.13252	0.9
141.06973	2.4
142.07774	1.3
143.08565	2.6
145.06516	1.1
145.10123	4.3
147.08090	0.7
147.11717	0.6
149.06003	1.1
149.09615	5.9
149.13197	0.7
151.07542	88.8
151.14748	0.6
152.07855	3.1
153.06964	0.9
154.07722	0.9
155.08498	1.9
156.09290	0.8
157.06512	1.6
157.10143	1.8
158.07274	2.1
159.08055	6.4
159.11682	3.8
161.05971	2.0
161.09631	1.3
162.06764	4.1
163.07545	2.2
163.11185	8.3
165.06978	1.5
165.09106	11.4
166.07768	1.2
167.08521	0.8
169.10129	1.4
171.08061	1.9
171.11639	0.8
172.08827	1.4
173.09642	6.5
175.07506	2.4
175.11140	1.1
176.08328	9.7
177.09109	65.2
177.12643	2.0
177.16428	0.6
178.09415	2.8
179.08575	0.9
181.06551	0.6
181.10130	2.1
182.15405	0.9
183.08055	0.7
183.11664	0.6
183.13242	0.5
184.08888	0.8
185.06004	0.8
185.09641	2.9
187.07538	1.3
187.11159	2.5
189.09138	2.5
190.09915	5.0
191.10667	100.0
192.09384	0.8
192.11018	4.6
193.10149	0.7
195.08047	0.7
197.05896	0.7
198.14922	0.7
199.07509	1.4
199.11179	2.5
203.08818	0.6
203.10649	2.2
205.12241	67.8
206.12540	3.6
207.11774	0.7
209.09586	1.4
210.14877	0.7
212.08276	0.7
217.12277	1.1
219.13799	6.1
221.09703	0.5
225.09160	0.7
227.10640	9.1
228.11073	1.1
233.15341	0.6
235.11143	1.3
239.10727	0.7
249.12744	1.0
251.14389	0.5
251.23706	1.1
253.12225	1.3
263.10825	1.0
267.13800	0.6
277.12283	1.7
278.12924	0.8
279.13739	1.2
281.11835	1.0
285.11255	0.8
295.13266	1.3
296.14001	0.7
324.13620	0.8
359.03119	0.7
397.30942	0.7
415.19409	0.6
415.31934	4.1
416.32196	0.6
433.20135	1.5
443.18610	4.2
443.31705	0.7
461.19797	12.9
461.26572	0.6
461.32730	6.8
462.19644	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.01875	4.0
55.05512	10.8
57.03427	1.9
57.07076	4.6
59.05003	13.8
65.03928	1.4
65.69094	0.5
67.01858	2.0
67.05505	13.1
69.03421	2.0
69.07072	13.4
69.41780	3.7
71.04987	1.4
71.08627	1.5
79.05491	7.2
81.07060	24.1
83.01340	0.7
83.04984	4.1
83.08619	8.1
85.06516	2.8
85.10178	0.8
87.04474	4.0
91.05476	6.8
93.07049	15.3
94.07359	0.6
95.04966	1.8
95.08607	23.1
96.08909	0.6
97.02911	0.9
97.06522	5.9
97.10173	4.3
97.10735	0.8
98.22997	1.7
99.89063	0.6
101.06017	0.8
105.07030	6.6
107.04947	1.5
107.08593	9.3
109.06522	3.9
109.10158	13.2
111.04440	2.0
111.06792	0.5
111.08087	3.1
111.11732	2.3
115.03924	1.0
115.05441	0.9
115.07586	4.0
117.07024	2.3
119.04926	0.8
119.06024	0.5
119.08580	5.0
121.06519	3.0
121.10147	5.6
123.04420	0.8
123.08040	4.2
123.11709	7.5
125.02354	1.0
125.06010	0.8
125.09607	0.9
128.06230	1.3
129.06998	1.9
131.08568	2.2
133.06473	1.6
133.10117	3.4
135.04424	1.5
135.08044	3.9
135.11711	4.3
137.05972	10.5
137.09590	1.6
137.13245	3.6
138.06706	0.6
139.03915	0.8
139.07527	4.6
139.11169	1.1
141.05438	0.7
141.06992	1.0
142.07773	1.3
143.08577	2.8
144.81506	0.7
145.06436	0.8
145.10117	1.9
146.07271	1.0
147.08067	3.1
147.11673	2.5
149.05984	6.8
149.09520	2.6
149.13246	3.0
151.03856	1.2
151.07545	32.1
151.14859	0.7
153.05460	2.3
155.08557	4.2
156.09204	0.7
157.10153	3.3
157.12151	0.8
159.08061	2.3
159.11710	2.5
161.05957	3.4
161.09656	3.5
161.13287	1.0
163.07558	2.5
163.11180	1.6
163.14789	2.9
165.05489	14.9
165.06894	0.7
165.09111	11.8
166.09503	0.7
167.07039	100.0
168.07375	2.9
169.10150	1.6
171.08176	0.6
171.11739	1.9
173.09634	1.8
173.13258	0.6
174.06752	1.0
175.07542	6.8
175.11198	3.1
177.05531	0.7
177.09109	6.7
177.16418	0.8
179.03397	1.8
179.07077	2.8
179.10660	2.6
181.08591	2.3
181.10179	1.4
183.11736	0.9
185.09596	1.8
187.11157	1.1
188.08337	2.1
189.09103	21.7
189.12740	2.1
190.09395	0.9
191.07002	2.3
191.10619	2.7
191.17941	0.8
192.07739	1.1
192.09334	0.6
193.08585	4.0
193.10083	0.9
194.10847	0.8
194.86787	0.6
195.08211	0.7
195.10057	1.1
195.11713	1.9
197.04433	6.5
197.13333	1.0
199.11208	1.8
201.09102	1.5
202.09952	0.7
203.10655	14.5
203.17867	0.9
205.08632	3.1
205.10405	0.9
205.12189	2.9
205.19675	0.7
207.10085	7.1
207.11760	1.3
207.13416	0.6
209.13243	1.2
215.10646	1.2
215.14235	0.6
217.12241	6.3
219.10019	1.2
219.11865	1.1
219.13733	1.1
221.11487	2.8
221.13560	0.8
229.12326	0.7
231.13745	3.1
235.13202	1.7
239.14343	0.8
245.13167	0.9
245.15436	0.7
247.14941	0.7
251.14400	0.7
253.10652	0.8
255.13770	1.6
257.15488	0.9
261.12866	0.7
261.16293	1.2
267.13776	1.7
281.13794	0.7
297.27911	0.7
321.18414	1.5
329.18878	0.7
383.25702	0.7
385.27341	2.1
395.29568	1.1
401.26364	1.2
407.29456	1.8
413.30502	5.4
415.26450	1.6
415.32089	0.9
425.24890	0.6
425.30322	11.5
425.35602	1.0
426.30826	1.5
431.31473	5.6
443.25790	2.8
443.31421	21.0
444.31982	2.3
461.20056	1.2
461.26694	18.1
461.32651	5.6
462.27100	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3261
Annotation	Polyporusterone G
Peak:m/z	Relative Intensity
53.03942	1.9
55.01876	1.1
55.05513	11.2
57.03432	1.7
57.07077	5.1
58.07398	0.6
59.05007	3.2
65.03940	1.5
67.01873	1.5
67.05507	12.7
69.03439	3.1
69.07067	15.9
70.53024	1.3
71.04987	3.7
71.08628	2.2
75.83648	0.6
77.03925	0.6
79.05490	7.3
80.05881	0.7
81.03420	1.0
81.07054	25.3
82.07417	0.7
83.04978	4.0
83.08617	7.1
85.02889	0.9
85.06526	1.2
85.10167	0.6
91.05481	7.7
93.07037	15.4
95.04958	2.0
95.08606	24.9
97.06516	4.8
97.10170	4.0
99.04462	0.8
105.03465	0.7
105.04529	0.5
105.07030	6.9
107.04924	1.0
107.08587	11.5
109.06503	4.3
109.10155	15.2
111.04449	1.1
111.08065	3.6
111.11720	1.6
117.07028	1.1
119.04909	0.6
119.08572	6.0
121.06523	6.3
121.10128	8.2
123.08054	3.7
123.11704	7.2
124.12062	0.6
125.05913	1.3
125.09593	2.7
125.13270	0.8
126.84872	0.5
127.07569	1.5
127.11211	0.7
129.07034	1.1
129.56316	0.5
131.08565	3.3
133.06490	1.4
133.10135	4.7
135.08054	3.0
135.11691	8.2
137.05965	11.3
137.09590	1.1
137.13255	4.1
138.06755	2.5
139.03880	2.7
139.07535	7.6
139.11212	1.1
141.05421	1.6
142.07762	0.6
143.08569	2.1
145.10120	2.5
147.08009	2.2
147.11720	2.5
149.05981	5.7
149.09596	2.2
149.13268	5.6
151.07538	24.7
151.11188	0.9
151.14822	0.9
153.05507	4.5
153.06635	0.9
153.12764	1.4
155.08554	2.1
156.09248	0.8
157.10110	2.7
159.08070	1.7
159.11696	2.8
161.05962	3.6
161.09593	2.8
161.13261	1.8
163.07523	2.0
163.14825	2.2
165.05472	11.8
165.06871	1.0
165.09113	7.2
165.16400	0.7
166.06259	2.8
166.09561	0.8
167.07036	100.0
168.07361	2.6
169.10153	1.1
171.11670	1.5
172.08800	0.6
173.09605	2.4
173.13242	1.0
174.23381	0.5
175.07544	5.9
175.11162	2.4
175.14752	0.8
177.09114	3.6
177.12735	0.7
177.16432	1.3
179.07030	2.8
179.08450	0.6
179.10638	1.9
181.04984	2.5
181.08620	3.3
181.10034	0.9
183.11662	0.8
185.09578	1.9
187.11180	1.5
187.14851	0.7
188.08339	1.7
189.09109	13.9
189.12782	1.7
189.16379	0.7
191.06982	3.4
191.10713	2.6
191.17932	1.0
192.07845	0.7
193.08597	4.4
193.10126	0.9
195.10095	0.8
195.11729	1.7
197.13400	0.7
198.10281	0.6
199.11137	1.3
201.09036	1.3
201.12776	0.8
203.10654	9.4
203.18025	1.3
205.08580	6.2
205.10309	1.0
205.12178	2.6
205.19431	0.7
206.09213	0.6
207.10106	9.0
207.11652	0.7
209.13258	0.9
211.11064	0.9
215.10674	1.6
217.10310	0.9
217.12236	4.2
219.10112	2.3
219.11928	1.0
219.13710	0.6
221.11490	2.5
225.12808	0.7
229.12204	0.9
231.13768	1.5
233.11685	2.0
235.13231	1.4
243.13855	0.7
249.14696	0.7
252.45750	0.6
255.13785	0.7
257.15445	1.0
267.13724	0.8
289.25266	1.1
307.16690	0.6
309.83780	0.5
347.19836	0.6
397.31122	1.4
401.30292	2.1
407.29324	1.9
407.84634	0.6
425.30453	19.2
426.30661	2.1
433.33356	0.6
443.26401	1.3
443.31424	27.6
444.31763	4.0
461.26758	13.9
461.32532	3.7
462.27026	1.4
462.33011	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
55.05508	7.8
57.07079	4.3
58.29749	0.8
67.01875	1.3
67.05502	6.0
69.03429	1.3
69.07070	5.8
70.55716	1.8
70.56065	1.1
71.04999	6.0
71.08630	1.6
73.06557	3.4
79.05498	3.2
81.07060	13.8
83.05000	4.6
83.08607	4.2
85.06546	2.3
85.10181	1.1
86.69174	0.9
91.05489	3.4
93.07043	9.6
95.04972	1.1
95.08608	13.0
97.06544	1.4
97.10174	2.9
105.07050	2.5
107.08585	4.1
109.06521	2.7
109.10158	7.7
111.08037	1.1
113.09700	1.1
119.08610	3.1
121.06519	2.2
121.10111	5.1
123.08096	1.8
123.11698	6.0
125.09632	1.0
131.08627	1.3
133.10143	1.3
133.64963	0.8
135.08099	2.6
135.11702	2.5
137.05965	7.4
137.09637	1.0
137.13281	2.3
139.07547	3.8
139.69009	0.9
141.57060	0.8
143.08603	1.0
145.10023	1.3
147.08020	2.1
147.11687	2.1
149.05986	5.0
149.09653	1.0
149.13292	2.8
151.07535	16.2
151.14871	1.3
159.08014	1.5
161.05989	2.7
161.09695	1.4
163.07611	1.0
163.14897	1.1
165.05498	10.3
165.09140	4.6
167.07040	100.0
168.07399	3.0
175.07510	4.2
176.96091	0.8
177.09106	3.1
179.07088	1.7
179.10727	1.5
181.08629	2.7
187.11223	1.3
189.09096	10.4
191.07016	1.9
192.07822	1.0
193.08687	2.9
201.09207	1.1
203.10677	7.5
205.08554	5.3
205.12244	2.8
207.10110	6.0
215.10716	2.0
217.12282	2.7
219.10146	2.3
221.11687	2.0
233.11787	1.3
322.69470	1.0
368.37747	1.0
407.29382	1.0
425.30457	5.2
443.31525	11.7
444.32101	1.4
461.26804	1.9
461.32501	4.3
461.38217	1.0
462.33115	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.01874	4.9
55.05511	38.1
57.03424	3.3
57.07086	14.2
67.05506	40.3
69.07066	61.6
71.04979	17.9
71.08633	5.1
73.06560	3.4
79.05498	27.5
81.06581	5.7
81.07056	100.0
83.04987	20.7
83.08611	20.7
84.21297	3.3
85.06548	5.1
91.05480	21.6
91.19203	3.4
93.07046	54.3
95.04980	5.1
95.08601	77.8
97.06550	3.1
97.10159	15.1
98.23396	5.3
105.07026	39.4
107.08592	40.3
109.06517	8.7
109.10149	52.3
110.10481	2.9
111.08085	4.3
111.11722	6.9
117.06956	4.9
119.08578	31.8
121.06482	9.8
121.10139	35.3
123.08070	9.4
123.11691	30.2
125.06000	8.4
127.07523	3.7
127.11196	9.2
129.07011	6.7
131.08553	12.1
133.06554	3.3
133.10089	16.1
135.08070	5.6
135.11697	26.6
137.05966	20.0
137.09616	3.9
137.13216	10.5
138.06781	5.3
139.07530	22.2
141.05530	4.7
143.08598	5.6
145.10109	11.3
146.53381	2.8
147.08028	6.0
147.11670	21.6
149.06009	6.7
149.09669	3.7
149.13234	20.6
151.07513	33.1
153.05547	3.8
153.12740	7.7
155.08543	12.1
157.10098	8.1
159.08051	3.4
159.11674	13.7
161.05972	3.4
161.09534	3.0
161.13274	11.7
163.07584	4.6
163.14813	9.8
165.05466	10.4
165.09111	11.0
166.06244	2.9
167.07036	86.1
171.11705	5.2
173.09523	3.4
173.13251	7.7
175.07483	6.8
175.11095	3.5
175.14839	9.2
177.09105	8.9
177.16373	9.8
179.07028	5.5
179.08546	3.7
179.10629	4.7
181.04950	3.7
181.08604	3.2
187.14798	3.5
189.09087	12.3
189.16420	7.0
191.07010	4.5
191.17883	3.1
193.08615	5.4
193.10248	3.9
195.11703	4.1
199.11266	3.3
201.16414	5.9
203.10620	5.9
203.17924	5.9
205.08542	6.8
205.12230	4.1
206.10878	4.9
207.10106	11.1
207.11787	5.5
209.13264	3.8
215.10786	3.6
215.17981	6.5
217.19530	4.8
221.13467	3.6
227.10570	3.2
231.11603	4.4
231.13747	3.2
233.13335	4.3
233.18893	5.0
245.13110	3.3
247.14952	3.8
251.20049	4.5
293.97568	2.7
398.19925	3.3
415.32114	23.7
417.27740	3.2
425.30374	11.3
425.37573	4.8
443.25754	6.3
443.31439	19.1
445.39786	3.0
461.26523	48.7
461.36127	27.8
462.26636	4.2
463.45596	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3625
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
53.03936	2.8
55.01866	3.1
55.05510	25.2
57.07074	12.6
58.79627	1.5
60.93336	1.4
65.03903	1.5
67.05236	1.3
67.05509	14.6
69.07070	37.8
69.13972	3.4
69.14371	11.1
71.04975	3.6
71.08623	7.5
71.90306	1.5
75.07863	1.4
77.57134	1.3
79.05495	16.4
81.07058	36.3
83.04988	11.2
83.08618	20.7
85.06565	3.7
85.10189	2.8
91.05481	10.6
93.07047	19.6
95.04957	4.1
95.08609	34.5
97.06541	3.7
97.10164	13.0
98.23333	3.6
99.04446	2.1
103.05471	2.2
105.07030	20.2
107.04990	2.9
107.08576	14.7
108.05671	1.7
109.06512	17.9
109.10155	16.3
111.04419	4.1
111.08069	5.7
111.11710	6.9
112.60432	1.5
115.05399	2.2
117.06994	3.8
119.08597	8.8
119.27619	1.6
121.06492	3.9
121.10159	8.3
121.61890	1.6
123.04453	1.5
123.08035	7.8
123.11677	9.4
125.05989	40.5
125.13271	3.9
127.03931	4.3
129.07016	3.6
131.08574	3.9
132.16380	1.7
133.06482	15.9
133.10126	5.5
135.08040	9.0
135.11700	3.0
137.05974	86.2
137.09605	4.5
137.13264	4.7
138.06740	3.6
139.03870	2.3
139.07550	6.0
141.05315	1.5
142.07800	2.5
143.08528	3.2
145.10143	5.3
147.08076	3.2
147.11615	3.6
149.05966	3.4
149.09613	3.3
149.13277	4.4
151.07556	35.4
151.14818	2.0
152.50726	1.5
153.05437	2.2
153.09134	2.5
155.07062	6.6
155.08556	8.3
156.09222	2.0
157.10098	5.1
159.08015	2.0
159.11690	4.3
161.05991	17.2
161.09619	3.9
161.13232	4.3
163.07483	2.5
163.11163	2.6
163.14745	2.3
165.05519	3.0
165.09093	11.9
166.06236	4.2
167.07056	30.9
167.08391	2.0
169.10101	2.2
171.11714	3.9
173.09628	3.1
173.13191	2.2
175.07573	1.9
175.11154	2.6
177.09123	5.1
179.07042	87.5
179.10599	2.5
180.07408	1.7
181.05087	1.9
181.08626	4.3
181.10147	2.5
183.11644	2.5
183.75699	1.5
187.11206	2.5
189.09128	3.5
189.12790	4.3
191.10570	2.7
191.14326	2.3
193.08656	3.1
195.11745	3.9
201.12759	2.2
203.10687	3.2
203.14278	2.5
205.10173	3.5
205.12248	4.8
206.10910	1.9
207.10033	1.8
207.11691	4.1
209.13188	2.6
217.12292	3.1
218.90996	1.7
219.11763	4.3
219.13774	1.6
221.11612	2.5
221.13477	2.4
229.12149	2.3
231.11732	2.5
233.13254	2.1
235.13139	2.1
245.13254	3.5
255.13873	1.6
260.15555	2.1
263.16364	1.6
263.20010	1.6
263.27225	2.1
269.15317	1.9
273.16348	2.6
278.91843	1.6
305.21240	3.0
307.16922	1.9
317.20905	1.8
321.18332	2.7
327.17987	1.6
347.19839	2.7
362.22083	1.8
383.32932	2.3
397.34622	3.4
401.34116	5.8
415.35825	9.8
417.27991	1.7
419.35092	4.2
425.34537	3.2
443.25522	4.1
443.35211	100.0
444.36133	8.7
461.26761	60.8
461.36459	3.7
462.27048	7.6
462.32898	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93912	1.6
53.03961	2.6
55.01868	2.7
55.05514	29.9
57.07075	11.7
65.03940	1.8
66.10259	2.1
67.05506	23.9
69.03419	3.0
69.07071	42.7
71.04983	11.2
71.08627	5.4
71.12832	1.8
74.65401	1.8
79.05502	14.5
81.06584	3.7
81.07062	66.3
83.04984	21.6
83.08628	19.1
85.06552	3.9
85.10181	2.3
90.21848	2.1
90.70057	2.1
91.05483	15.6
93.07050	40.2
95.05022	4.0
95.08611	57.6
96.08972	2.2
97.06535	4.6
97.10172	14.6
98.23582	2.0
99.08083	3.3
105.07034	20.0
105.07681	2.2
107.08601	21.0
109.06532	7.8
109.10163	38.1
111.04411	3.0
111.08092	7.1
111.11726	6.3
117.07013	3.0
119.08584	15.6
121.06540	10.7
121.10146	18.2
123.08072	7.3
123.11719	20.3
125.06004	4.0
125.09671	3.9
125.13336	2.2
127.07590	5.4
127.11219	5.1
129.07045	2.9
129.97185	1.9
131.08588	6.7
133.06520	3.0
133.10150	14.8
135.08072	10.4
135.11658	14.6
137.05983	17.9
137.09627	3.9
137.13237	9.2
138.06764	3.3
139.07559	26.8
141.05489	4.6
142.07811	3.6
143.08589	4.0
145.10187	10.5
147.08096	2.9
147.11690	10.4
149.05986	6.0
149.09628	3.5
149.13300	11.0
151.07538	34.7
151.14876	3.3
153.05472	5.0
153.09131	6.0
155.07513	1.9
155.08546	9.7
156.09294	2.2
157.10175	6.4
159.07976	2.5
159.11768	9.0
161.06047	4.4
161.09636	6.0
161.13284	5.6
163.07555	7.4
163.14822	4.5
165.05453	11.7
165.09119	10.6
166.06299	4.7
167.07051	100.0
168.07390	2.7
169.10139	6.5
171.11777	5.4
173.09616	4.4
173.13277	4.7
175.07634	5.9
175.11253	2.6
175.14969	5.3
175.16872	1.7
177.09160	5.6
177.16418	6.1
179.07077	2.9
179.10655	2.2
179.17854	2.0
181.08572	6.4
181.10054	2.9
183.11592	2.5
185.09660	2.9
185.35326	2.0
187.11188	2.5
187.14847	4.3
189.09082	14.9
189.16353	3.4
191.07042	4.6
191.10728	5.7
191.17998	2.6
192.07878	2.7
192.09494	2.3
193.08640	5.0
193.10176	2.5
195.11723	4.1
197.13127	2.1
199.11301	2.3
201.09171	3.1
203.10686	5.8
203.17932	3.8
205.08577	6.4
205.10316	2.9
205.12209	3.3
206.10928	4.4
207.09985	9.8
207.11749	5.2
208.12358	2.2
209.13326	2.4
213.12636	2.3
215.10709	4.0
215.18057	2.8
217.12221	4.4
217.19548	2.2
219.09993	2.5
219.11916	4.8
221.13385	3.7
229.12259	2.3
231.11607	4.0
233.13342	3.4
243.11653	3.1
243.13913	2.2
245.13312	3.9
246.13881	3.4
247.14999	3.7
249.12589	2.7
257.22565	1.9
259.14828	4.8
261.12646	2.2
261.16245	3.6
267.13913	4.1
281.28513	9.9
282.86215	2.2
307.16946	3.2
321.18552	3.4
397.31003	4.3
401.24973	5.4
402.25797	2.2
415.26816	4.0
415.31985	22.4
416.32437	3.4
425.24921	3.5
425.29932	10.9
443.25623	11.3
443.31567	21.9
444.32129	4.4
461.26740	74.1
461.36203	63.4
462.27069	10.8
462.36475	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	12.6
57.03440	25.0
61.02699	2.0
61.02928	22.0
65.03936	3.0
67.05495	3.7
69.03075	4.0
69.03423	36.1
69.07059	3.0
71.01334	6.6
71.04967	3.6
71.29274	3.5
73.02916	100.0
73.04755	4.2
79.05491	4.7
80.37291	2.4
81.03416	3.9
81.07035	4.8
85.02901	82.6
87.04460	4.8
91.05440	19.3
93.07047	4.0
95.04974	3.8
95.08598	10.4
97.02887	58.7
99.04445	5.6
101.21925	2.2
103.03956	4.8
103.05465	2.6
105.07018	8.3
107.08594	3.0
109.02892	4.8
111.04426	3.0
115.03928	36.8
117.06991	3.5
119.04945	19.6
119.08639	3.2
121.20391	2.4
123.04401	2.6
127.03922	24.7
131.04883	3.7
133.04965	37.8
135.08044	2.7
137.05952	7.5
139.03880	6.4
144.06572	2.7
145.04951	35.9
145.10106	10.3
146.06041	6.8
150.07689	2.6
151.03952	3.4
151.07536	77.6
152.07956	3.5
159.06625	5.6
159.11688	2.6
162.07617	3.0
163.06015	12.7
163.07536	6.8
173.07085	14.2
173.13286	7.9
174.07858	17.8
175.07523	4.6
177.09073	3.5
191.07019	2.2
193.04881	2.4
199.06088	2.8
201.12714	5.1
219.13751	7.5
223.05919	5.6
229.12285	2.7
241.07083	5.7
247.13327	9.6
260.08850	2.5
265.14380	14.2
359.02957	4.0
368.18250	2.3
378.51285	2.7
401.81009	2.9
434.12521	3.1
445.13885	5.7
462.11212	3.9
463.15018	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	12.6
57.03440	25.0
61.02699	2.0
61.02928	22.0
65.03936	3.0
67.05495	3.7
69.03075	4.0
69.03423	36.1
69.07059	3.0
71.01334	6.6
71.04967	3.6
71.29274	3.5
73.02916	100.0
73.04755	4.2
79.05491	4.7
80.37291	2.4
81.03416	3.9
81.07035	4.8
85.02901	82.6
87.04460	4.8
91.05440	19.3
93.07047	4.0
95.04974	3.8
95.08598	10.4
97.02887	58.7
99.04445	5.6
101.21925	2.2
103.03956	4.8
103.05465	2.6
105.07018	8.3
107.08594	3.0
109.02892	4.8
111.04426	3.0
115.03928	36.8
117.06991	3.5
119.04945	19.6
119.08639	3.2
121.20391	2.4
123.04401	2.6
127.03922	24.7
131.04883	3.7
133.04965	37.8
135.08044	2.7
137.05952	7.5
139.03880	6.4
144.06572	2.7
145.04951	35.9
145.10106	10.3
146.06041	6.8
150.07689	2.6
151.03952	3.4
151.07536	77.6
152.07956	3.5
159.06625	5.6
159.11688	2.6
162.07617	3.0
163.06015	12.7
163.07536	6.8
173.07085	14.2
173.13286	7.9
174.07858	17.8
175.07523	4.6
177.09073	3.5
191.07019	2.2
193.04881	2.4
199.06088	2.8
201.12714	5.1
219.13751	7.5
223.05919	5.6
229.12285	2.7
241.07083	5.7
247.13327	9.6
260.08850	2.5
265.14380	14.2
359.02957	4.0
368.18250	2.3
378.51285	2.7
401.81009	2.9
434.12521	3.1
445.13885	5.7
462.11212	3.9
463.15018	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85959	4.8
66.50230	4.7
69.03445	7.9
73.04754	16.2
85.02907	17.2
89.06032	62.1
89.17028	5.1
90.98793	5.3
91.05797	22.4
92.36784	4.9
93.07084	6.4
95.04964	13.4
100.22547	5.1
105.07032	17.6
107.04971	6.1
107.08546	6.1
109.06507	6.7
111.04433	6.2
119.08599	15.1
121.06477	6.3
129.54231	5.0
131.04910	11.0
131.08572	9.3
133.08615	36.7
133.10155	8.3
135.08037	12.9
144.08109	10.9
145.10146	6.1
147.04451	7.4
147.08063	6.1
149.09737	5.4
159.08026	7.7
159.11655	7.3
161.09749	7.8
163.03979	6.9
165.09088	5.1
173.09729	7.2
175.07593	8.9
175.11221	6.1
177.11232	9.9
187.11208	10.5
199.11136	8.3
201.12776	9.6
203.10635	5.9
205.04626	6.6
217.12305	7.1
219.06735	9.3
229.12366	10.5
239.90009	5.2
247.13350	33.1
265.14380	100.0
266.14844	5.6
283.17542	53.0
359.02853	20.2
403.74667	6.4
429.09027	6.2
462.16571	17.1
463.15414	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19714	2.2
50.51352	2.3
54.79124	2.3
59.26508	2.6
61.02924	3.7
62.15726	2.4
67.05524	4.6
69.03439	10.4
70.24705	7.5
70.25063	2.7
73.04765	4.9
79.05519	4.9
80.57381	2.5
81.07079	5.6
83.04983	5.2
85.02911	14.8
91.05503	8.7
93.07046	12.2
95.04980	7.9
95.08635	3.5
97.02895	5.4
105.07023	12.5
107.04971	6.3
107.08607	8.3
109.02856	2.8
109.06504	6.1
110.06880	2.3
111.04459	7.4
113.06026	3.0
117.07055	2.7
119.08574	22.6
121.06519	10.0
121.10196	7.6
123.08064	4.3
124.19214	2.5
127.03936	2.9
129.07008	2.8
131.08560	14.5
133.06500	4.8
133.10141	5.6
135.08055	16.1
135.09015	2.2
137.06042	2.6
137.09709	3.4
142.07756	3.8
143.08542	5.1
145.10147	9.3
147.08080	9.2
149.04877	2.8
149.06049	2.8
149.09627	15.6
151.03922	3.6
157.10144	7.3
158.07281	4.8
159.08051	8.6
159.11723	9.6
161.09642	15.9
165.09103	6.2
166.07733	2.7
167.05569	3.1
167.10692	5.3
171.11745	5.7
172.08788	3.9
173.09688	4.8
173.13300	5.6
175.07579	12.2
175.11235	5.3
179.72943	2.5
181.10158	2.9
182.81187	2.9
187.11198	12.0
189.09062	4.8
193.08636	5.1
196.08771	3.1
199.11215	24.9
201.12787	9.3
203.10713	7.9
207.10216	8.7
211.11263	5.4
217.12315	21.2
219.13747	7.7
229.12244	9.9
235.13356	5.6
247.13306	70.2
248.13625	5.0
265.11490	5.2
265.14355	100.0
266.14743	7.9
301.07410	4.1
319.08575	3.2
359.02872	4.1
421.85245	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
53.90648	0.8
55.01873	1.7
55.05502	2.3
57.03440	21.5
59.05005	3.3
61.02935	4.9
65.26787	0.8
66.01460	0.9
69.03432	50.0
69.07043	1.0
70.53262	1.2
70.53600	1.8
71.01358	1.5
71.04990	1.3
73.02921	24.0
73.04772	1.8
75.04484	1.0
79.05489	2.5
81.03429	3.8
81.07048	1.8
85.02909	57.8
87.04473	28.5
91.03984	1.0
91.05864	1.3
93.07071	1.9
93.96519	1.0
95.08614	1.7
97.02895	46.0
99.04466	1.6
100.11260	4.3
103.03947	1.0
103.05463	0.9
105.07034	94.4
106.07379	2.4
107.04946	1.5
109.02897	3.5
111.04459	2.1
115.03933	46.7
123.04424	2.3
127.03919	9.7
131.08559	3.5
133.04976	40.2
133.10133	100.0
134.10475	3.5
134.34734	0.9
137.05991	2.0
143.08580	1.8
145.04971	12.7
145.10081	5.3
147.11668	1.1
149.09663	1.5
150.07646	7.5
151.03946	1.4
151.07582	2.6
157.10127	3.3
159.11688	2.2
161.09601	1.7
163.06044	3.3
169.04953	1.3
173.09677	2.2
175.11218	2.8
177.09106	1.4
178.09433	1.0
180.08746	1.4
182.15503	1.3
187.06029	1.1
191.10703	2.8
191.14278	5.1
192.11093	1.5
201.12782	1.1
205.07135	1.1
205.12280	1.1
210.14978	2.5
211.11229	1.1
219.13879	2.2
219.17448	3.0
223.06212	1.2
229.12172	3.0
241.07068	2.6
247.13307	2.5
253.32166	1.0
259.08127	2.9
259.13354	2.0
265.14319	3.1
272.10611	1.0
283.15332	2.6
295.10379	1.1
301.06973	1.5
304.08984	1.0
313.16446	1.6
317.06717	1.7
318.06781	1.2
338.29861	1.0
359.02887	2.0
373.26505	0.9
391.92715	0.9
429.08459	1.2
443.82175	0.9
462.19998	1.7
463.19705	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01872	1.2
55.05511	1.0
57.03438	22.1
59.04995	1.7
60.04513	1.7
61.02645	0.8
61.02916	4.0
67.05513	0.9
67.90731	0.8
69.03430	52.8
70.43101	2.7
71.01352	1.8
73.02917	16.8
73.04744	2.0
75.04465	1.3
75.66403	1.0
79.05494	2.6
81.03423	3.7
81.07079	1.7
83.05003	1.1
85.02905	54.8
86.03230	1.0
87.04470	28.5
88.40780	0.8
90.04689	0.8
91.05435	1.6
93.07063	1.3
95.08592	1.8
97.02892	44.3
99.04443	1.9
100.11272	1.8
103.05423	1.1
105.07031	87.5
106.07373	3.7
107.08621	1.6
109.02879	3.8
111.04413	1.5
115.03928	50.2
116.04223	1.0
117.05498	1.0
117.06992	1.0
119.08570	1.1
123.04469	1.5
127.03919	9.9
131.08578	2.5
133.04152	0.9
133.04968	48.8
133.10129	100.0
134.10469	3.5
137.05968	2.4
143.08611	1.2
144.06502	1.3
145.04958	12.1
145.10121	6.0
147.11687	1.7
149.09602	2.0
150.07591	8.5
151.07616	1.5
157.10152	4.4
161.09615	1.9
163.06020	2.7
167.05559	1.2
170.98055	0.9
173.09586	1.9
173.13171	1.1
175.11147	4.2
177.09148	1.6
191.10565	1.1
191.14371	2.2
192.11040	1.5
205.12239	1.3
210.43643	0.9
211.11226	1.4
219.13855	1.5
219.17392	2.5
223.05943	1.9
229.12244	3.8
241.07011	2.0
247.13388	3.1
259.08167	2.0
259.13425	1.4
265.14404	1.2
277.09280	1.0
277.14139	0.9
283.15408	2.1
295.10123	2.0
301.07175	1.2
313.16479	1.5
317.06598	2.3
359.02802	2.0
401.24567	0.9
462.20181	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23022	0.3
55.01870	1.3
55.05501	0.4
57.03434	3.6
61.02917	1.1
61.67162	0.4
65.03938	0.5
69.03428	3.3
70.64213	1.0
71.01350	0.9
72.04517	0.5
73.02917	5.4
75.04460	0.4
76.18120	0.3
79.05507	0.9
80.94525	0.4
81.07066	0.4
84.71069	0.4
85.02898	7.0
87.04499	0.4
91.05451	6.0
93.07037	1.1
94.27394	0.4
95.04970	0.8
95.08631	0.5
97.02889	5.5
99.04500	0.4
103.03952	0.4
103.05476	0.8
105.07029	24.4
106.07353	0.9
107.08575	0.5
109.02886	0.5
114.05605	0.3
115.03932	2.8
115.05383	0.6
117.07023	1.7
118.07806	1.2
119.04899	0.6
119.08607	0.3
120.01608	0.4
121.06468	0.8
122.03588	0.4
127.03895	2.0
129.06984	1.2
131.08557	3.2
132.06543	1.0
133.04951	3.5
133.10127	100.0
134.10469	3.2
137.05934	1.8
138.06319	0.4
145.04964	2.6
145.06529	0.8
145.10115	0.5
147.11684	3.1
150.07642	1.3
151.07556	2.1
152.07872	1.3
163.06082	0.9
165.06898	0.4
167.05515	0.4
171.11629	1.0
173.13284	0.4
175.11192	1.8
177.09090	0.5
178.09395	0.6
187.11186	0.7
191.10542	0.5
199.11205	0.9
201.12619	0.6
206.77531	0.4
223.06033	0.6
247.13310	1.3
259.08249	0.7
286.11530	0.9
317.06525	2.2
319.29584	0.4
359.02777	0.7
381.23386	0.4
462.20166	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76422	2.6
52.14974	2.3
55.01871	21.7
55.05513	4.4
57.03437	37.5
59.04995	4.5
61.02935	15.8
67.05505	3.1
67.73370	2.4
69.03429	42.2
70.61334	5.0
71.01346	10.1
71.04988	5.5
72.04486	4.0
73.02921	56.7
73.04752	5.6
75.04485	3.9
78.92789	2.4
79.05477	4.6
81.03417	8.4
81.07063	14.2
82.07391	2.6
83.13310	2.3
85.02904	100.0
87.04453	9.4
91.05441	7.3
92.05827	2.7
93.07050	5.6
95.08593	6.7
97.02890	60.0
99.04484	5.4
99.08105	6.2
100.11258	10.1
103.03942	7.1
105.07021	22.1
107.04878	2.7
107.08584	5.7
109.02874	6.3
109.05778	4.4
109.06519	89.3
115.03931	45.8
115.32559	2.6
119.08596	4.3
121.06519	2.9
123.08034	3.3
127.03909	31.8
131.08594	5.8
132.06580	8.2
133.04970	68.5
133.06479	3.1
133.10129	65.3
134.10449	3.2
137.05981	8.0
138.06543	2.4
143.08514	2.8
143.10657	2.6
145.04947	40.3
147.11685	4.7
149.05997	4.1
149.13162	3.0
150.07616	12.3
151.07529	19.6
151.11186	68.1
152.07903	5.9
163.06032	9.2
163.11137	15.3
167.05608	3.8
167.14365	5.5
169.10103	3.5
175.07520	3.7
175.11182	5.0
177.09091	2.7
182.15463	4.6
191.10814	3.5
192.10934	4.5
195.10324	2.8
199.05984	5.1
201.12891	3.0
210.14906	6.0
217.12321	3.5
219.17456	7.4
223.06050	4.7
241.07079	8.2
251.90712	2.5
265.14471	3.3
317.06561	8.3
318.06891	8.4
359.02924	5.1
372.58920	3.2
431.96924	2.8
463.20056	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.4
55.01870	2.8
55.05497	2.3
57.03436	44.7
58.51867	1.9
59.04996	4.2
60.04500	2.5
61.02928	6.8
61.55750	2.0
67.05513	2.4
69.03426	92.4
69.71628	6.9
71.01356	3.0
73.02913	64.3
73.04756	2.6
73.30580	1.9
75.04452	1.8
81.03401	5.0
85.02901	77.3
87.04475	42.9
87.04942	1.2
91.05810	3.0
97.02888	90.0
99.04462	2.4
100.11215	1.9
105.07041	2.6
107.05016	2.0
109.02872	2.0
109.06520	46.3
109.07250	2.8
115.03923	100.0
117.48690	1.7
118.61930	1.7
121.06493	1.8
127.03902	12.8
132.06535	2.4
133.04959	91.1
133.06531	4.0
134.05312	2.3
135.08102	2.6
137.05980	6.0
137.86029	2.5
145.04944	18.5
145.10193	2.5
150.07608	21.0
151.07451	1.9
151.11177	39.4
156.76750	1.9
163.05975	3.0
163.11206	4.4
167.05579	2.5
175.07536	2.7
175.11253	3.1
180.08751	3.9
181.05014	3.0
187.11171	4.1
217.12245	2.8
220.49469	1.8
223.06004	4.2
241.07118	4.3
241.59735	1.9
253.34235	1.9
259.08087	4.5
277.09244	2.7
295.10306	2.8
301.38861	2.2
303.04758	2.4
317.06470	6.0
318.06848	15.2
359.02902	4.3
374.49670	2.0
463.20239	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01875	6.9
57.03436	12.9
58.25220	0.8
59.04979	1.2
61.02930	8.0
69.03437	17.1
69.33949	1.0
69.34354	5.2
71.01362	2.4
71.04990	2.3
72.04485	0.7
73.02922	20.5
73.04738	1.1
79.05502	2.1
81.03427	3.9
81.07047	1.2
85.02910	49.1
87.04475	1.9
91.03947	1.3
91.05453	1.0
93.07034	2.2
95.08611	1.4
97.02898	25.7
97.06528	1.0
99.04463	2.3
103.03935	1.9
103.05483	1.2
105.07035	83.2
106.07371	3.3
107.08616	1.5
109.02887	3.5
115.03934	11.7
117.07005	0.9
119.08591	2.6
123.04442	0.9
123.11802	0.7
127.03917	13.1
131.08549	2.2
132.06583	2.1
133.04979	16.0
133.10133	100.0
134.10440	3.6
143.08667	0.9
145.04968	16.8
145.10107	4.5
147.11653	1.2
150.07614	3.0
151.07538	3.1
157.10149	2.6
159.11649	1.1
163.03935	1.1
163.06029	6.1
173.09625	1.8
175.11162	3.7
183.11751	1.1
187.11217	1.2
199.06006	1.1
199.11102	1.6
210.14833	0.9
211.11172	1.9
223.05965	2.2
229.12265	2.3
233.11536	0.9
241.07104	3.3
247.13327	3.0
259.08139	1.8
259.13229	1.0
265.14371	1.5
287.05502	2.9
302.04376	1.3
313.16367	1.2
317.06552	8.7
318.07086	1.3
359.02887	1.8
437.72226	0.9
443.55792	0.9
444.23218	0.8
471.33847	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02608	4.5
55.05510	8.1
63.14465	5.1
66.94143	4.9
67.05501	11.6
71.31233	5.1
71.31586	10.1
81.07046	9.2
83.04955	14.6
91.05442	13.6
93.07038	15.0
95.08597	16.1
105.03393	7.0
105.07034	14.8
111.04459	7.7
118.60649	5.4
119.07790	6.1
119.08595	15.3
123.08144	6.0
128.06267	6.4
129.06989	8.7
131.08568	7.5
135.08022	5.6
135.11681	5.1
142.07690	5.4
143.08659	6.7
145.10089	10.0
153.64323	4.9
155.08583	10.7
157.10107	14.5
159.11682	6.3
169.10127	12.2
171.11708	9.7
173.09618	6.1
178.12340	5.5
181.10062	11.1
183.11693	11.3
193.10059	13.3
194.10588	6.7
195.11650	12.7
197.13310	6.5
205.10052	6.5
207.11684	17.9
208.12163	9.7
209.13210	17.9
211.11092	6.7
218.10658	5.8
219.11588	10.7
219.94891	4.8
220.12357	7.0
221.13170	17.0
222.10327	5.5
222.82610	5.5
223.14798	7.5
233.13197	7.1
247.14771	9.4
248.15196	5.7
261.16183	8.9
263.18021	11.9
267.13852	6.1
312.09784	7.9
315.08524	8.1
323.20126	9.5
330.11017	21.3
331.11777	6.4
337.14285	14.1
339.05432	5.7
357.13171	9.0
368.16034	16.6
369.17029	34.6
399.18042	100.0
402.25183	14.0
403.26190	7.2
426.25378	7.6
444.26166	25.2
445.27435	7.8
462.27155	86.9
463.28461	82.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	6.1
57.07070	3.2
65.03974	1.2
67.05512	7.8
69.07073	9.6
69.16535	3.2
69.16950	4.6
71.08636	1.2
76.30762	1.0
79.05493	2.1
81.07050	9.4
83.04985	4.2
83.08619	3.7
85.06573	1.2
91.05488	2.6
93.07033	5.3
93.78276	1.1
95.08596	10.9
97.10181	2.9
105.07047	3.6
107.08582	3.2
109.10177	7.0
110.10475	1.7
111.04437	2.3
111.11691	1.1
117.07002	1.7
119.08590	4.6
121.06534	6.2
121.10136	2.6
122.07310	1.9
123.08103	1.3
123.11710	3.8
129.06995	2.4
131.08568	2.3
133.06432	1.4
135.08041	3.0
136.08810	6.8
137.09607	9.3
143.08569	3.9
145.06450	1.2
145.10173	2.5
147.08090	2.9
147.11745	1.2
149.09607	2.5
149.13248	2.5
151.07564	4.2
155.08563	2.7
156.09238	1.0
157.10118	6.3
159.08028	2.3
159.11736	2.1
160.08755	1.4
161.05981	12.2
161.09621	3.0
162.06769	1.7
164.08328	27.9
165.09117	100.0
166.09532	3.6
167.07028	4.6
168.07405	1.6
169.10135	1.7
171.08031	1.3
171.11710	1.8
173.09624	2.1
174.06789	3.4
175.07544	14.1
175.11168	1.7
176.08344	20.1
177.09073	11.3
179.07028	1.5
179.08589	1.5
181.04968	2.4
181.10123	1.2
185.09648	3.5
187.11221	2.6
188.08313	11.0
189.09099	25.1
190.09850	6.6
191.10657	6.6
195.11758	1.1
199.11157	1.3
201.09103	4.8
202.09904	6.6
203.10669	53.8
204.11407	17.3
205.12210	16.0
207.11655	2.6
209.13321	1.7
215.10658	2.5
217.12236	30.1
218.12869	4.1
221.13252	2.0
223.14755	1.7
229.12280	2.0
231.13815	2.3
243.13824	1.9
245.15411	1.5
267.13748	2.1
269.15564	1.4
293.31436	1.4
358.28610	10.1
359.29126	1.4
388.29587	7.3
403.26367	1.6
426.34875	58.3
427.35437	7.7
444.35992	97.5
445.36456	10.4
462.27219	9.5
463.28406	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93405	11.9
67.05507	19.9
69.07063	20.3
71.29399	12.2
71.29869	17.8
81.07050	36.7
93.07065	14.4
95.08591	17.9
107.08589	15.9
109.10210	18.4
149.13269	16.3
187.51860	15.0
205.19714	17.9
462.27304	14.7
463.28195	100.0
468.86578	15.5
469.06232	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.9805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72304	0.8
58.41249	0.8
58.62859	0.9
69.42712	3.1
69.43120	1.6
74.66213	0.7
94.92997	3.0
96.92812	1.9
114.87817	0.7
156.97511	0.9
174.98508	1.2
180.97400	2.0
198.98534	12.6
202.89056	1.4
210.98572	1.0
216.99545	2.5
222.98425	1.1
228.99669	1.6
240.99559	3.1
248.89690	2.3
250.89699	5.1
250.97197	100.0
251.02820	2.6
251.97514	2.8
283.00726	1.4
301.01724	5.1
312.14044	0.9
316.75641	0.7
328.88397	1.3
384.87268	0.7
422.27176	0.8
437.68884	0.8
463.06866	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99626	2.6
69.00053	2.5
71.93425	0.5
77.00286	0.5
82.04127	0.5
98.23463	0.9
109.02830	0.5
119.01935	1.0
127.03890	0.6
156.97414	0.9
157.03453	0.6
161.02902	0.8
163.03914	1.4
173.02943	1.0
180.29785	0.6
180.97472	2.1
187.04539	0.6
194.99026	0.7
198.98555	8.4
199.98630	0.6
208.02480	0.5
210.98503	1.2
216.99658	2.0
222.98682	0.6
239.06142	0.9
240.99638	1.7
250.97177	5.5
259.00735	1.1
275.06094	1.0
275.70239	0.6
283.00717	1.3
301.01691	8.3
302.01993	0.6
319.03000	0.8
394.99869	0.5
421.05466	0.6
454.90915	0.6
463.12122	100.0
464.06714	0.9
464.12515	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.121
Annotation	Unknow
Peak:m/z	Relative Intensity
65.78249	0.5
71.04991	2.7
71.27999	0.8
73.04735	1.0
85.02898	5.2
91.05791	2.2
92.05711	0.6
101.43485	0.5
107.31521	0.5
116.02604	0.5
129.05478	2.3
139.03883	0.8
147.06503	0.8
163.03889	0.6
167.05579	0.7
199.60023	0.5
211.11172	0.5
301.12506	0.5
360.02847	1.9
463.12067	100.0
463.17471	5.0
464.12430	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1235
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
55.01869	3.5
57.03443	12.0
61.02929	3.7
69.03426	10.8
69.12826	13.7
71.04994	36.0
71.12318	1.9
73.02907	15.5
79.05508	3.3
82.08008	1.9
85.02907	74.4
86.03233	4.5
87.04465	4.7
91.05464	3.1
93.07050	5.0
97.02909	9.8
99.04462	7.7
105.07030	37.6
106.07368	15.3
107.04963	3.1
107.08588	2.4
115.03948	4.9
123.04451	3.7
126.58458	2.5
127.03943	5.8
128.04265	2.1
128.25276	2.0
129.05507	6.5
133.04961	5.6
133.10139	48.9
134.10469	30.6
135.11771	3.1
137.05998	8.0
145.04970	7.5
151.03970	2.8
153.01866	10.4
164.55347	2.4
165.01816	2.2
167.07042	38.9
183.82219	2.3
257.04547	4.2
273.03836	3.0
274.04611	3.6
285.03815	4.6
287.05481	66.7
288.05920	3.7
302.04214	11.1
317.06543	100.0
318.06885	8.6
359.07623	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1235
Annotation	6-Methoxykaempferol 4'-rhamnoside
Peak:m/z	Relative Intensity
53.03957	1.5
55.01870	1.5
55.05513	2.7
57.03440	2.9
59.05009	1.5
61.02961	0.8
67.05499	3.7
69.03420	1.7
69.07050	0.9
69.63124	3.0
69.63535	1.2
71.01353	1.7
71.04998	4.3
73.02920	11.2
75.04491	1.6
79.05505	3.3
81.03442	1.2
81.07065	3.1
82.45981	0.9
83.04984	3.4
83.08603	1.0
85.02905	38.1
87.04475	1.7
91.05459	4.5
92.16017	0.8
93.07045	7.6
94.52510	0.9
95.04983	2.2
95.08597	4.2
95.58766	0.9
97.02876	2.5
97.06544	0.9
99.04463	3.8
100.11276	1.3
101.53492	0.8
105.07037	3.9
107.04963	1.5
107.08603	7.3
109.06496	1.1
109.10134	1.7
111.04444	1.3
111.08082	1.4
115.03953	1.4
117.07027	0.9
119.08604	3.6
121.02881	3.4
121.06523	1.5
121.10165	2.1
123.04419	1.0
123.08096	1.3
124.56866	0.8
127.03909	1.4
129.06953	1.1
129.20702	0.9
131.08606	1.3
133.04967	0.9
133.10132	3.4
135.11713	3.5
137.02318	1.7
137.06003	2.1
141.05551	1.7
143.08589	1.8
145.04991	3.5
145.10144	1.9
147.04393	1.9
147.11749	1.4
149.09637	0.9
151.03885	0.8
151.07579	5.9
153.01852	5.2
157.10202	1.6
159.08099	2.1
159.11780	1.9
162.83534	0.9
165.01874	1.7
165.95137	1.0
169.10133	1.4
171.11742	1.5
173.09624	1.8
173.13293	0.9
177.09174	1.7
179.08591	1.4
180.14955	1.0
183.02956	1.4
191.07109	1.1
191.10777	2.9
193.68707	1.0
203.10687	1.3
213.05403	1.7
227.10585	1.5
231.11728	1.1
237.12741	1.0
241.05130	1.2
241.12143	1.3
249.14963	1.4
257.04535	1.8
263.14307	1.9
267.15857	1.9
277.15753	1.5
285.03918	1.3
286.04712	5.9
287.05490	100.0
288.05865	6.2
289.16193	1.2
299.05618	1.6
301.06900	1.9
305.15524	1.7
317.06616	7.1
327.05063	1.9
329.06650	2.8
345.06158	2.9
417.24304	1.6
445.11017	1.0
445.23648	4.3
463.25076	4.9
463.32590	60.0
464.33099	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1234
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
53.03944	1.6
55.01879	0.8
55.05518	1.5
57.03437	7.8
57.07069	0.7
67.05501	2.4
69.03432	3.5
69.07081	1.3
71.04977	2.1
73.02570	0.7
73.02921	7.0
73.65999	0.9
75.04482	21.5
79.05508	4.0
81.03439	0.8
81.07080	4.2
83.04977	1.0
83.08620	1.0
84.86890	0.7
85.02905	8.4
88.41815	0.6
91.05450	3.8
93.03410	0.9
93.07047	13.8
95.04979	0.9
95.08589	3.8
97.02894	3.2
97.10148	0.7
98.22572	1.9
99.08053	0.7
100.11255	2.0
103.95116	0.6
105.03405	0.6
105.07032	5.5
107.04970	0.7
107.08598	7.3
107.66164	0.7
109.06520	1.0
109.10163	3.9
111.04416	0.9
115.03970	3.1
117.07047	0.9
119.04900	1.2
119.08564	2.1
120.08102	0.8
121.02910	1.4
121.06506	1.6
121.10114	2.1
123.04414	1.4
123.08060	0.9
123.11716	0.8
126.03156	0.9
127.03878	1.9
131.08533	1.7
133.04939	1.7
133.10130	5.3
135.08055	1.6
135.11714	6.7
137.05956	2.5
137.09642	1.1
139.03865	1.2
143.08467	1.0
145.04953	1.8
145.10149	1.7
147.04393	0.9
147.08096	0.8
147.11674	1.3
149.13179	0.7
151.03938	0.8
151.07553	3.9
151.11105	0.8
153.01833	7.8
159.08093	0.7
159.11757	1.6
161.13213	0.9
163.05952	0.9
165.01941	1.2
165.05649	0.8
165.09081	0.7
167.05618	0.8
171.11636	1.0
173.09544	0.8
173.13254	0.8
182.15421	0.8
185.09604	0.6
191.10722	1.0
201.05455	1.1
201.12810	0.6
210.14941	1.2
228.04123	1.2
229.05077	3.8
231.13733	1.5
245.04384	1.2
246.05142	1.5
249.14807	0.9
257.04501	2.5
273.03885	2.2
274.04709	3.8
285.03876	4.0
287.05450	2.0
301.07004	2.6
302.04202	11.5
302.07346	1.3
303.05032	2.2
311.16394	1.7
317.06546	100.0
318.06906	6.3
331.07910	1.3
463.20340	1.5
464.33200	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.5
55.01870	1.5
55.05513	2.7
57.03440	2.9
59.05009	1.5
61.02961	0.8
67.05499	3.7
69.03420	1.7
69.07050	0.9
69.63124	3.0
69.63535	1.2
71.01353	1.7
71.04998	4.3
73.02920	11.2
75.04491	1.6
79.05505	3.3
81.03442	1.2
81.07065	3.1
82.45981	0.9
83.04984	3.4
83.08603	1.0
85.02905	38.1
87.04475	1.7
91.05459	4.5
92.16017	0.8
93.07045	7.6
94.52510	0.9
95.04983	2.2
95.08597	4.2
95.58766	0.9
97.02876	2.5
97.06544	0.9
99.04463	3.8
100.11276	1.3
101.53492	0.8
105.07037	3.9
107.04963	1.5
107.08603	7.3
109.06496	1.1
109.10134	1.7
111.04444	1.3
111.08082	1.4
115.03953	1.4
117.07027	0.9
119.08604	3.6
121.02881	3.4
121.06523	1.5
121.10165	2.1
123.04419	1.0
123.08096	1.3
124.56866	0.8
127.03909	1.4
129.06953	1.1
129.20702	0.9
131.08606	1.3
133.04967	0.9
133.10132	3.4
135.11713	3.5
137.02318	1.7
137.06003	2.1
141.05551	1.7
143.08589	1.8
145.04991	3.5
145.10144	1.9
147.04393	1.9
147.11749	1.4
149.09637	0.9
151.03885	0.8
151.07579	5.9
153.01852	5.2
157.10202	1.6
159.08099	2.1
159.11780	1.9
162.83534	0.9
165.01874	1.7
165.95137	1.0
169.10133	1.4
171.11742	1.5
173.09624	1.8
173.13293	0.9
177.09174	1.7
179.08591	1.4
180.14955	1.0
183.02956	1.4
191.07109	1.1
191.10777	2.9
193.68707	1.0
203.10687	1.3
213.05403	1.7
227.10585	1.5
231.11728	1.1
237.12741	1.0
241.05130	1.2
241.12143	1.3
249.14963	1.4
257.04535	1.8
263.14307	1.9
267.15857	1.9
277.15753	1.5
285.03918	1.3
286.04712	5.9
287.05490	100.0
288.05865	6.2
289.16193	1.2
299.05618	1.6
301.06900	1.9
305.15524	1.7
317.06616	7.1
327.05063	1.9
329.06650	2.8
345.06158	2.9
417.24304	1.6
445.11017	1.0
445.23648	4.3
463.25076	4.9
463.32590	60.0
464.33099	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
54.55744	0.4
55.01866	0.7
55.05516	2.6
65.03947	0.8
65.53752	0.5
67.05505	4.3
69.03426	2.3
69.07057	2.1
69.07722	4.8
71.05000	1.3
79.05497	5.8
81.03410	1.4
81.07056	8.6
82.07431	0.5
83.04984	2.7
83.08602	0.8
85.02895	0.8
86.08394	0.5
91.05472	8.9
93.07043	6.7
95.04963	3.2
95.08600	5.9
97.02895	6.0
97.06548	1.1
98.22645	1.2
99.04438	1.7
105.07028	9.8
107.04929	1.4
107.08591	9.9
109.02876	1.4
109.06519	4.5
109.10161	2.2
111.04424	1.8
113.02380	2.4
115.03881	0.8
115.05459	1.7
117.07027	5.2
119.08578	12.6
121.06523	2.9
121.10118	4.1
123.04428	0.7
123.08057	1.2
125.05981	0.9
127.04017	0.6
128.06201	2.7
129.07016	4.1
130.07794	0.8
131.08568	7.4
133.06467	1.6
133.10120	4.0
135.08055	2.2
135.11705	0.8
137.05978	6.0
139.07581	1.0
141.06970	3.9
142.07771	3.5
143.08559	8.7
144.09427	0.6
145.06522	2.6
145.10115	5.7
146.07335	0.6
147.08046	4.0
147.11678	1.6
147.66913	0.5
149.09639	1.0
151.07573	0.9
151.11223	0.7
153.05522	0.8
153.06975	2.2
154.07756	2.1
155.08546	19.3
156.09369	3.4
157.06465	0.7
157.10118	8.2
158.10915	1.2
159.08078	3.4
159.11644	2.6
161.05997	0.8
161.09641	1.9
163.07539	0.5
163.11176	0.6
165.07065	2.7
165.09151	0.8
166.07683	1.2
167.08575	4.3
168.09357	1.7
169.10129	9.4
170.10849	1.1
171.08054	2.6
171.11690	6.2
173.05922	0.6
173.09619	2.4
173.13245	9.5
173.14642	0.9
175.07497	2.4
175.11079	0.8
178.07845	1.3
179.08577	6.0
180.09332	2.4
181.10085	5.9
182.10895	1.7
183.08128	1.0
183.11687	4.0
185.09598	2.9
185.13251	2.0
187.07590	0.9
187.11206	1.2
187.14856	0.6
189.09128	1.0
191.08585	2.0
191.10416	0.6
192.09335	2.8
193.08571	0.6
193.10144	5.9
194.10912	4.0
195.08063	3.0
195.11722	7.1
196.08690	1.0
196.12463	2.8
197.09555	2.3
197.13260	10.8
198.10197	0.6
198.13847	0.7
199.07443	0.5
199.11246	2.4
199.14819	1.4
201.12727	1.2
203.08525	1.6
204.09338	1.2
205.10152	3.7
206.10895	2.8
207.08165	0.9
207.11681	6.2
208.08868	1.2
208.12448	2.3
209.09657	2.9
209.13249	8.2
210.10403	1.0
210.14020	4.6
211.11311	3.7
211.14809	14.7
212.12100	0.6
212.15625	9.5
213.12747	1.1
213.16237	1.2
215.08713	0.9
215.10599	0.6
216.09309	1.0
217.10138	2.8
218.10974	2.7
219.08138	0.8
219.11708	4.0
220.12376	2.2
221.09685	3.1
221.13278	4.9
222.10526	0.6
223.11255	3.5
223.14775	6.9
224.15401	1.1
225.09123	1.0
225.12680	1.2
225.16411	2.1
227.10693	1.1
227.14323	0.8
229.10129	1.2
230.10948	1.1
231.11774	3.7
232.12392	2.5
233.09665	1.1
233.13210	4.9
234.10339	0.8
234.13925	1.5
235.11304	2.9
235.14810	4.4
236.11989	1.6
236.15488	1.1
237.09088	1.0
237.12706	3.0
237.16277	2.5
238.16988	0.8
239.10715	1.6
239.14273	1.0
242.10944	0.9
243.11694	1.2
244.12447	1.2
245.09621	0.8
245.13289	4.3
246.10416	1.0
246.14034	1.5
247.11258	2.1
247.14807	4.9
248.12004	1.0
248.15526	1.4
249.12695	2.4
249.16441	2.5
250.13455	0.7
251.10648	0.7
251.14305	3.8
251.17958	1.2
253.12337	0.9
253.15886	1.8
256.12411	1.0
257.13171	1.6
258.14050	1.3
259.11197	1.9
259.14749	2.7
260.11841	0.7
260.15634	1.5
261.12729	2.7
261.16333	3.9
262.17078	2.2
263.14560	2.5
263.17896	4.1
264.14844	1.1
265.15820	1.9
265.19397	1.1
271.11102	0.6
271.14801	1.8
272.11856	0.5
272.15466	0.9
273.12766	1.0
273.16397	1.4
274.13620	0.8
274.17142	1.1
275.14304	2.8
275.17926	3.7
276.18661	1.8
277.12216	1.3
277.15842	4.0
277.19501	1.9
278.16586	1.0
279.14120	0.8
279.17432	3.7
280.18170	1.3
284.15390	0.6
285.16428	0.9
287.14444	1.2
287.17935	2.1
288.15140	0.6
289.12662	0.7
289.15829	2.1
289.19437	2.7
290.16599	1.8
290.19919	1.1
291.14023	1.2
291.17410	3.6
291.20996	2.6
292.18167	1.2
293.15332	3.4
293.19000	3.1
297.16306	0.7
299.14246	0.6
300.15121	0.6
301.16013	0.7
301.19455	1.3
302.16617	0.7
303.17346	1.6
304.18051	1.3
305.15506	1.0
305.18994	2.3
306.19836	3.2
307.16946	2.9
307.20523	2.8
308.17657	3.1
309.18506	0.7
311.14182	0.9
315.17389	2.3
315.20773	0.6
317.18954	4.7
318.19604	1.0
319.17084	0.8
319.20502	8.2
320.21085	1.4
321.21951	0.5
328.18231	0.7
329.18976	1.4
330.19675	1.5
331.16962	1.0
331.20581	1.3
333.18387	2.4
333.22189	1.7
335.20038	6.5
336.20743	0.6
337.21686	1.8
347.20108	5.6
348.20987	4.0
349.21524	3.3
357.22156	0.8
365.21112	9.1
366.21671	0.8
369.18369	0.6
379.16663	0.6
381.22321	0.9
385.21866	1.2
399.23264	2.5
403.22668	4.5
409.21704	1.2
417.24271	7.6
418.24835	0.7
427.22675	5.0
434.24387	3.6
435.25192	4.1
445.23672	21.9
446.24173	2.0
463.24738	100.0
464.25168	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2841
Annotation	Biatractylolide
Peak:m/z	Relative Intensity
51.68737	0.8
51.95703	0.7
53.03947	1.7
55.05512	6.2
55.45041	0.8
57.07061	1.5
65.03929	0.9
67.05499	12.0
69.03426	1.0
69.07062	6.3
71.04958	1.4
77.03940	0.9
79.05500	6.0
81.07061	11.9
83.04977	6.7
83.08598	1.5
85.06546	5.6
91.05488	10.4
91.15446	0.8
93.07037	14.0
95.04973	2.9
95.08047	1.6
95.08607	23.0
97.06538	1.9
99.04478	0.9
105.07025	15.3
107.08601	8.7
109.06498	4.3
109.10158	5.8
111.04444	2.9
111.08060	5.2
113.05975	1.0
115.05428	1.3
117.07024	5.0
119.08580	13.3
121.06516	2.3
121.10126	5.2
123.08083	4.8
127.07565	1.3
128.06200	3.9
129.06996	6.5
131.08563	8.4
133.10126	6.7
135.08032	2.2
135.11694	3.6
137.09576	1.0
139.07506	1.2
140.23288	0.9
141.06961	5.4
141.09093	2.4
142.07765	7.1
143.08560	11.6
144.09384	1.0
145.06519	1.8
145.10126	8.6
147.08061	2.6
147.11699	3.1
149.13362	0.8
153.06979	2.4
154.07784	2.2
155.08536	18.9
156.09323	3.8
157.10129	18.1
159.08060	1.7
159.11681	8.3
161.09634	5.9
161.13333	1.4
163.11156	1.0
165.07031	6.4
166.07787	3.4
167.08553	8.6
168.09352	3.6
169.10123	14.2
170.10802	2.5
171.08093	1.5
171.11673	8.3
173.09688	1.5
173.13298	2.4
175.11198	2.7
178.07832	2.4
179.08574	10.7
179.10513	1.6
180.09290	4.2
181.10112	14.9
182.10895	3.3
183.11700	9.7
185.09630	2.7
185.13275	3.6
187.11198	1.5
187.14960	0.9
189.12810	2.2
191.08606	2.5
192.09364	5.5
193.10135	18.8
194.10896	6.7
195.08026	2.1
195.09883	1.0
195.11691	18.8
196.12318	1.9
197.09641	3.0
197.13283	10.6
199.11198	2.6
199.89958	0.8
201.09106	1.0
205.10135	4.3
206.10893	7.6
207.11691	25.4
207.13663	1.6
208.12468	7.5
209.09711	2.8
209.13251	23.8
210.13951	4.2
211.11200	1.6
211.14812	4.0
213.09151	2.4
213.12715	1.4
215.10707	1.9
217.10175	1.6
217.12187	1.8
217.15697	0.9
219.11716	7.3
219.58749	0.8
220.12463	4.0
221.09621	2.4
221.13243	24.6
222.13927	3.5
223.11235	2.8
223.14822	15.8
223.16902	1.4
224.15672	1.0
225.12711	4.2
225.16406	2.9
227.10698	1.0
227.14348	1.1
231.11630	1.9
232.12547	1.3
233.09709	1.4
233.13237	5.7
234.14091	2.4
235.11203	2.8
235.14775	11.6
236.15492	2.0
237.12801	2.0
237.16385	3.7
239.10698	1.7
239.14290	2.5
239.18018	1.5
241.12262	1.1
243.13948	1.5
245.13272	2.4
246.14111	2.1
247.11255	2.1
247.14799	6.8
248.15550	3.2
249.12708	5.0
249.16393	8.3
250.17113	1.0
251.14325	4.6
251.17938	2.3
253.12180	2.6
255.13820	2.6
257.15433	2.5
258.14075	1.0
259.11057	1.0
259.14816	1.8
260.15588	1.2
261.16403	5.2
262.17047	1.8
263.14389	3.9
263.17987	14.2
264.18707	2.3
265.15921	2.3
265.19534	1.2
267.13785	9.2
267.16592	1.2
267.17563	1.0
268.14447	1.2
269.15369	11.6
271.14990	0.9
273.16263	1.3
274.16879	1.0
275.14444	2.1
275.17847	1.9
277.15964	2.7
277.19614	3.4
279.13977	1.1
279.21063	1.9
281.15387	3.9
283.17096	4.8
287.17862	1.7
289.15866	2.0
289.19437	1.7
291.17462	2.5
291.20840	1.1
293.15295	1.6
295.16928	3.7
303.17542	1.5
305.19022	5.8
305.22485	1.5
307.17072	1.7
307.20612	1.0
309.18561	3.9
317.22610	1.0
318.19891	1.0
321.18433	1.8
323.20041	18.6
324.20654	1.8
325.21738	1.2
331.20566	1.2
335.19910	1.2
345.22272	0.9
347.20084	1.9
349.21756	2.9
362.22476	0.9
363.23114	1.7
364.23914	2.0
385.25217	2.7
399.26868	1.3
401.24792	1.3
403.26321	43.7
404.26584	4.8
407.22009	1.0
417.27957	3.8
419.29443	21.1
420.29791	1.6
427.26254	3.7
445.27402	20.4
446.27631	1.7
463.28421	100.0
464.28845	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2842
Annotation	Cochloxanthin
Peak:m/z	Relative Intensity
55.01884	3.0
55.05506	6.6
67.05496	13.8
69.07062	6.5
69.24673	12.9
71.01279	1.9
76.54697	1.7
77.32758	1.8
79.05487	5.0
81.07048	10.2
83.04970	11.5
85.06534	3.0
91.05485	13.1
93.07036	16.5
94.10745	2.0
95.04970	5.0
95.08605	23.2
105.07034	13.1
105.41058	1.9
107.08607	13.2
109.06520	2.8
109.10168	6.2
111.04441	5.6
111.08070	5.6
113.05962	2.3
117.07001	4.3
119.08575	13.9
121.06540	3.1
121.10155	5.9
123.08066	7.9
128.06172	3.5
129.07025	6.2
131.08557	8.9
133.10123	8.7
135.08057	4.4
135.11732	3.6
139.07527	4.4
141.06996	4.4
142.07796	3.8
143.08559	8.1
145.06473	1.8
145.10146	8.7
147.08035	3.2
147.11688	5.2
153.06973	4.0
155.08540	21.2
156.09233	4.3
157.06491	3.2
157.10129	17.0
159.08141	2.2
159.11685	10.9
161.09694	2.9
161.13319	2.9
163.11154	2.4
165.06982	6.5
167.08582	7.8
168.09367	3.5
169.10117	14.0
170.10820	2.9
171.08043	3.4
171.11665	10.7
173.09630	2.4
173.13321	3.9
175.11142	5.1
178.07773	2.3
179.08543	8.8
180.09265	3.5
181.06467	2.0
181.10158	10.5
182.10840	3.4
183.08125	3.1
183.11746	10.6
184.12471	2.1
185.13261	5.4
189.12735	2.4
191.08684	2.7
192.09360	5.3
193.10129	10.9
194.10916	4.3
195.08055	5.4
195.11719	11.5
196.12454	2.8
197.09593	6.3
197.13205	12.4
199.11235	6.0
199.14896	2.2
205.09911	2.8
206.10957	6.4
207.08064	2.5
207.11734	18.9
208.12335	3.5
209.09639	7.7
209.13214	10.6
210.13858	2.5
211.11220	3.5
211.14786	4.0
213.12747	2.7
217.10173	2.4
218.10902	2.5
219.11728	7.5
219.13751	2.8
220.12465	2.2
221.09610	4.9
221.13225	18.5
222.10414	3.1
222.13933	2.7
223.11163	3.5
223.14731	9.8
225.12776	4.1
225.16405	3.6
227.10745	3.6
231.11673	3.2
231.13873	2.7
233.09659	3.1
233.13242	5.1
234.14040	3.4
235.11163	4.2
235.14816	9.4
236.15033	2.1
237.12732	3.3
237.16498	3.1
239.17876	6.3
241.12248	3.3
243.11534	2.6
247.11163	3.7
247.14900	5.5
248.11928	2.4
249.12802	7.9
249.16478	5.4
251.14398	8.1
253.12381	2.4
255.13815	4.0
257.15399	4.5
259.14853	2.6
261.12805	3.4
261.16443	5.2
263.14331	7.1
263.18045	5.6
265.15891	5.6
267.13858	4.6
269.15466	7.1
275.14499	4.2
275.17804	3.0
277.15875	7.2
277.19617	4.0
279.21021	3.6
281.15280	3.8
287.17834	3.0
289.15799	3.1
291.17535	3.1
295.17038	2.6
303.17352	2.9
305.19006	14.1
317.18954	3.5
321.18665	1.9
323.20206	9.5
325.21588	3.5
331.20621	4.2
349.21573	4.2
364.23737	5.8
379.26392	2.4
380.27252	2.3
385.21674	2.8
399.27087	3.1
403.22586	3.0
417.27979	10.9
419.29388	2.2
427.26419	13.3
430.96121	1.9
445.27344	43.7
446.27597	7.0
463.28406	100.0
464.28506	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.9
67.05508	13.0
67.69205	2.1
69.07067	5.2
69.36964	14.9
70.79842	2.1
71.04984	2.0
75.49417	2.0
79.05491	7.9
81.07081	11.0
83.04986	6.0
91.05469	9.0
93.07022	15.0
95.04936	3.3
95.08591	22.6
98.23287	4.4
105.07039	12.7
107.08614	11.4
109.10129	6.2
111.04473	2.8
111.08070	5.8
117.07039	6.0
119.08587	13.9
121.06518	3.9
121.10132	5.9
123.08069	7.7
129.07025	7.5
131.08595	10.3
133.10120	8.5
135.08047	7.1
139.07521	3.1
141.07048	3.1
142.07787	7.4
143.08562	9.9
145.10143	9.0
147.08038	3.4
147.11646	2.3
149.09631	3.1
153.06985	4.1
155.08548	17.7
156.09145	3.9
157.10133	16.0
159.11656	7.3
161.09619	6.2
161.13219	3.2
165.07002	3.2
166.07765	3.6
167.08575	7.0
168.09363	3.1
169.10114	17.6
170.10854	2.6
171.08058	2.8
171.11729	10.6
173.13326	2.5
175.11217	5.7
178.07735	2.5
179.08539	6.1
180.09351	3.5
181.10081	11.4
183.11647	11.0
185.13297	8.5
189.12732	2.5
192.09418	4.3
193.10194	14.4
194.10913	5.3
195.08028	4.0
195.11659	13.2
196.12526	2.2
197.09593	4.6
197.13248	9.9
199.11168	5.6
199.14824	4.1
205.10124	5.6
206.10948	4.9
207.08037	4.2
207.11699	22.1
207.13533	3.6
208.12489	4.7
209.09651	6.1
209.13210	16.9
211.11089	3.1
211.14801	3.7
217.12263	6.1
219.11653	4.2
221.09697	3.2
221.13245	23.1
222.13690	2.9
223.11214	5.6
223.14737	10.6
225.09019	2.8
225.12720	2.9
225.16280	4.5
227.10640	3.3
231.11676	3.2
233.13260	3.2
234.13908	3.4
235.11163	6.4
235.14734	6.5
235.17096	2.3
235.99492	2.1
236.12021	2.7
237.12781	3.9
237.16557	2.7
239.14516	2.5
239.17947	3.4
247.11194	4.2
247.15080	3.5
249.12766	9.6
249.16487	3.9
251.14331	9.1
253.12363	2.9
257.15384	3.3
261.12650	3.2
261.16373	5.0
263.14288	7.9
263.17902	4.7
264.15076	2.2
265.15964	5.3
267.13809	8.6
268.14340	2.6
269.15405	7.2
273.16290	2.4
277.16159	3.8
277.19345	5.5
281.15472	4.0
283.17126	2.6
289.15881	3.2
291.17526	2.8
293.15399	2.5
305.18994	12.0
321.18506	2.5
323.20016	15.3
331.20370	2.8
349.21423	4.7
379.26202	3.6
403.26257	8.3
417.27679	10.8
419.29947	5.6
427.26306	8.8
445.27359	36.4
446.27576	4.3
463.28394	100.0
464.28790	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97104	1.6
53.03949	8.9
55.01870	6.2
55.05505	14.7
57.03426	2.0
57.07070	2.7
61.71564	1.6
65.03931	3.0
67.05509	32.5
69.03452	2.5
69.07060	8.1
71.04988	3.5
79.05495	28.5
81.07055	40.3
83.04987	25.2
83.08652	2.9
91.05475	34.5
93.03409	2.3
93.07041	49.4
95.04985	11.6
95.08606	68.7
96.08952	2.2
97.06536	4.8
98.22555	4.5
99.04451	2.3
103.05451	3.0
105.04494	2.4
105.07032	36.0
107.08597	34.8
109.02894	7.4
109.06518	68.2
109.10153	25.4
110.06821	2.2
111.04440	17.6
111.08083	7.9
115.05478	7.2
117.07027	14.2
117.25059	1.6
119.04948	1.8
119.08579	39.0
121.06528	9.9
121.10125	17.7
123.08067	7.6
123.11705	3.8
125.09497	1.6
127.07574	3.9
127.29271	1.6
128.06212	15.6
129.07022	18.3
130.07767	2.3
130.78439	1.8
131.08560	34.6
131.09489	2.9
132.09451	2.2
133.06491	4.8
133.10124	32.2
135.08054	16.6
135.11703	5.2
137.05988	22.6
139.07492	8.6
141.06981	12.3
142.07794	17.3
143.08568	58.2
144.09373	3.5
145.06499	10.9
145.10129	40.4
147.08052	17.4
147.11688	15.4
149.09647	6.6
153.07019	5.5
154.07755	3.6
155.07071	19.7
155.08571	22.9
156.09384	17.1
157.06487	15.9
157.10123	42.1
158.07269	4.7
158.10747	4.6
159.08072	23.1
159.11699	26.7
160.08803	2.5
161.09613	17.6
161.13234	9.7
163.11172	2.6
165.06981	9.0
166.07816	2.5
167.07190	3.4
167.08589	11.4
168.09332	5.0
169.06479	2.8
169.10120	25.4
170.07343	4.0
170.10909	10.1
171.08058	74.3
171.11676	31.8
172.08762	8.5
173.09625	17.9
173.13260	15.2
174.10179	2.2
175.07472	3.0
175.11215	7.3
175.14832	3.4
177.09145	2.4
178.07837	2.2
179.08577	11.6
180.09404	7.2
181.06450	2.5
181.10100	13.7
182.07283	2.2
182.10907	4.5
183.08060	20.4
183.11684	23.0
184.08812	5.1
184.12300	1.8
185.09637	22.0
185.13242	36.1
186.10330	2.2
186.13760	2.1
187.11156	17.6
187.14787	9.1
189.09137	5.1
189.12746	7.6
192.09462	3.1
193.10081	10.3
194.10876	5.7
195.08073	3.3
195.11726	20.6
196.08911	2.7
196.12399	2.6
197.09639	10.0
197.13245	18.2
198.10423	12.5
198.14069	2.0
199.11171	20.0
199.14839	11.1
201.09106	3.1
201.12746	19.4
201.16573	2.7
203.10681	5.6
203.14317	3.3
205.10144	4.1
206.10931	2.6
207.11668	9.8
208.12520	3.2
209.09657	8.2
209.13260	15.0
210.10336	2.7
210.13986	2.0
211.11206	11.9
211.14798	10.3
212.11888	5.4
213.12744	100.0
214.13219	4.7
215.10681	3.8
215.14279	19.3
216.09183	2.1
217.10210	3.9
217.12300	8.5
218.10695	3.7
219.11691	5.8
219.13712	2.9
220.12466	2.6
221.09576	2.6
221.13257	10.7
222.13818	2.3
223.11237	4.1
223.14854	10.4
225.12741	16.3
225.16457	5.2
227.10747	2.7
227.14296	23.1
229.12299	5.5
229.15860	3.2
230.10979	2.3
231.11630	4.8
231.13795	25.3
232.12422	2.5
233.13286	5.3
233.15482	4.1
234.13995	3.2
235.11215	3.9
235.14893	6.1
237.12805	7.0
237.16432	7.4
239.14395	8.0
239.17914	2.8
241.12334	2.9
241.16034	2.4
243.11716	3.2
243.13895	4.3
245.13217	3.9
245.15469	7.1
246.14063	2.1
247.11290	2.4
247.14850	7.6
248.15656	2.4
249.12776	3.8
249.16438	4.0
250.16837	2.0
251.14293	5.1
251.18056	3.5
253.15907	3.0
257.15546	4.1
261.12677	2.3
261.16434	5.0
263.14395	4.2
263.17990	3.9
265.15976	8.8
265.19540	2.8
267.13849	1.9
269.15546	2.4
271.17056	2.3
273.16290	2.1
275.17963	1.8
277.15811	2.2
277.19247	1.9
279.17712	3.6
279.21127	4.1
281.15475	3.1
281.22720	3.4
283.16919	2.4
285.16339	5.6
289.16064	2.6
289.19547	5.7
291.17935	2.4
291.21103	6.2
295.17096	2.7
303.17444	3.9
303.20581	2.4
305.18970	5.6
307.20551	16.5
308.21429	2.3
309.18719	3.3
309.21976	11.7
313.19595	2.1
323.20059	5.9
325.21686	5.1
328.21960	2.4
331.20496	3.1
345.22137	3.3
346.22928	3.5
349.21756	4.1
349.69580	2.1
363.23193	3.8
371.19925	2.5
371.24045	2.2
385.21674	6.6
399.26974	5.5
403.22452	2.6
409.25238	4.6
415.12286	1.9
417.27917	14.8
421.23831	2.7
427.26300	24.4
428.26855	2.3
435.28885	8.0
445.27322	41.8
446.28079	3.3
463.28479	88.2
464.28687	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01860	0.7
55.05505	6.7
57.03418	0.6
57.07086	0.5
67.05504	6.6
69.03426	1.0
69.07063	2.9
69.85392	0.9
69.85776	1.0
70.97713	0.4
79.05488	3.9
81.07049	5.6
83.04479	1.0
83.04977	17.7
83.08627	2.2
85.02902	0.6
85.06542	0.8
91.05477	6.8
91.06010	0.7
93.07043	12.0
95.04967	2.1
95.08606	12.7
97.06546	1.6
97.10178	0.5
105.04440	0.6
105.07030	8.3
107.08588	6.4
109.06515	1.6
109.10151	2.4
111.04430	8.8
111.08083	5.5
113.05980	0.9
115.05470	1.3
117.07031	5.7
119.08572	12.7
121.06518	2.6
121.10153	3.7
123.08023	2.4
123.11723	0.9
125.06020	0.8
127.07558	1.0
128.06216	1.4
129.06989	4.1
129.24789	0.5
130.07806	1.2
131.08574	6.4
133.06447	0.6
133.10132	8.1
135.08066	1.3
135.11710	1.5
139.07568	3.6
141.06987	2.6
141.09111	1.0
142.07802	3.3
143.08548	8.6
144.09337	1.4
145.06490	1.6
145.10126	6.3
147.08041	2.6
147.11681	3.9
149.09653	1.1
153.07022	1.1
154.07700	1.0
155.08543	40.5
156.09163	2.2
157.10121	9.7
159.08044	2.6
159.11693	7.8
160.08780	0.8
161.09711	2.7
161.10858	0.5
161.13286	1.7
163.07468	2.4
163.11162	1.1
165.07056	2.0
166.07751	0.9
167.01671	0.5
167.08536	2.7
168.09381	1.1
169.10135	9.6
170.10808	1.2
171.08067	0.9
171.11696	6.1
172.08884	0.6
173.08351	0.5
173.09564	2.4
173.13187	2.6
174.10408	0.8
175.11137	2.3
177.09167	1.0
178.07869	0.9
179.08557	4.3
180.09268	1.4
181.10109	7.4
182.10942	2.8
183.11658	6.9
184.12442	0.7
185.09677	1.9
185.13234	4.3
185.54893	0.5
187.11195	2.1
189.12758	2.9
191.08557	1.6
191.10701	0.9
192.09332	2.7
193.10062	6.6
194.10889	2.1
195.08075	1.1
195.11687	9.0
196.12469	1.9
197.09624	6.2
197.13239	8.7
198.13547	0.5
199.11253	1.3
199.14848	1.9
201.12740	3.5
203.08603	0.7
203.10704	0.7
204.09343	0.7
205.10162	3.1
205.12000	0.9
206.10880	3.1
207.11681	12.3
207.13623	1.0
208.12448	2.4
209.09644	1.2
209.13239	7.7
210.10376	0.6
210.13731	0.8
211.11154	1.2
211.14767	2.3
213.09143	0.7
213.12769	1.1
215.10739	0.6
217.10202	1.0
217.12305	1.1
218.10960	1.6
219.11688	5.5
219.13850	4.4
220.12366	3.3
221.09732	0.9
221.13248	12.0
222.13857	1.5
223.11201	1.7
223.14769	3.8
224.15517	0.6
225.12750	1.3
227.10698	3.1
227.14412	1.4
228.11327	1.0
230.10892	1.3
231.11687	2.1
231.13715	1.1
232.12486	1.8
233.13245	6.5
234.13957	2.6
235.11127	1.5
235.14760	7.4
236.15546	1.4
237.12814	1.1
237.16373	2.5
239.14354	2.5
241.12242	1.6
243.11624	1.0
243.13812	0.8
244.12509	0.7
245.13261	2.6
245.15463	1.4
246.14035	1.7
247.11238	0.8
247.12212	0.6
247.14786	5.9
248.15482	2.6
249.12607	2.4
249.16344	4.6
250.13008	0.5
250.16978	1.0
251.14326	3.5
251.17940	1.1
253.12317	0.9
253.15892	0.8
255.13907	0.9
257.13147	0.8
257.15433	7.0
258.13806	0.7
259.11102	0.7
259.14819	1.5
260.15533	0.7
261.12802	1.7
261.16376	4.8
262.13437	0.6
262.17017	1.0
263.14276	4.3
263.17813	3.1
265.12314	1.0
265.15942	3.0
265.19443	0.6
267.13898	2.1
269.15381	5.5
271.14536	0.8
271.17059	0.8
272.15610	0.5
273.12695	0.7
273.16360	1.6
274.13623	0.9
275.14285	2.8
275.17929	2.0
276.18762	0.8
277.15921	2.3
277.19501	1.0
279.13803	1.7
279.17322	1.3
281.15289	3.0
283.16971	1.4
287.14435	1.0
287.17935	1.2
289.15939	3.5
289.19598	1.8
291.17429	1.5
291.21027	2.2
292.17703	0.7
293.15417	1.9
295.17041	2.5
297.18549	2.1
301.15817	0.9
301.19489	0.6
303.14157	0.5
303.17300	2.3
303.20752	0.5
305.15701	1.0
305.19025	3.7
306.16336	0.7
307.16986	2.4
307.20483	1.0
308.17755	1.1
309.18567	3.1
313.19482	0.7
315.17517	0.6
317.18973	1.2
319.16940	0.8
319.20554	0.8
321.18494	4.4
322.19031	1.5
323.20013	4.7
324.20807	1.3
325.21820	0.7
329.19012	0.8
331.20624	3.3
333.18460	0.7
333.22110	1.5
335.19968	1.8
336.21008	0.9
337.21512	0.8
343.20807	0.8
345.22208	0.8
346.23029	0.9
347.20093	1.2
349.21701	4.7
351.23047	1.7
353.24649	0.8
361.21698	0.7
363.23273	1.6
364.24005	6.5
365.24731	0.6
371.20117	1.3
375.23392	0.8
384.21072	0.7
385.21579	1.9
389.20901	1.2
399.26740	1.9
403.22635	1.9
403.26834	0.9
407.22305	0.5
409.25284	1.0
417.27960	3.0
420.23236	0.8
421.23831	0.6
427.26282	6.5
428.26886	0.8
445.27411	11.7
446.27603	1.2
463.28412	100.0
464.28745	10.5
464.34982	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.05510	9.5
64.29774	0.8
67.05507	5.3
69.03431	1.4
69.07062	2.6
69.14603	5.7
77.68838	0.7
79.05499	3.1
81.07050	4.6
83.04983	19.9
83.05462	1.3
83.08618	1.8
85.06589	0.9
86.30200	0.7
91.05482	5.1
93.07037	10.0
95.04976	2.9
95.08607	11.1
97.06539	0.9
105.07031	8.2
107.08589	4.8
108.69984	0.7
109.06524	2.4
109.10161	2.9
111.04430	6.5
111.08073	4.1
112.09811	0.7
113.06010	0.9
117.07019	5.3
119.08588	9.5
121.06474	1.1
121.10142	3.3
123.08068	2.6
125.05946	0.7
127.07588	0.9
128.06239	1.4
129.07030	3.7
131.08556	5.4
133.10120	5.3
135.08083	1.4
135.11757	0.8
139.07539	3.6
141.06966	1.7
141.09071	0.8
142.07771	2.3
143.08554	6.6
144.09302	1.6
145.10118	4.7
147.08075	1.9
147.11713	2.0
149.09668	1.0
153.07034	1.4
154.07730	1.0
155.08549	27.3
156.09200	2.2
157.10106	9.0
159.08043	1.4
159.11699	5.3
161.09616	1.7
161.13234	1.3
163.07597	1.7
165.06996	1.6
167.08588	2.9
168.09290	1.4
169.10138	7.2
170.10881	1.0
171.11707	4.5
173.09610	2.0
173.13271	2.2
175.11215	1.1
177.09190	1.0
179.08537	3.5
180.09270	1.7
181.10081	7.0
182.10901	1.7
183.11687	5.1
185.09674	1.2
185.13199	2.7
187.11176	2.2
189.12801	1.4
191.10699	1.3
192.09367	2.7
193.10139	6.3
194.10835	2.2
195.11699	7.4
196.12442	1.7
197.09671	3.9
197.13269	7.2
199.11224	2.1
201.12711	3.5
204.09311	0.7
205.10101	2.8
205.12067	0.8
206.10957	2.9
207.11664	10.7
208.12350	2.4
209.09738	1.3
209.13258	6.8
211.11075	0.8
211.14841	2.8
213.09021	0.9
213.12779	1.8
215.14418	1.1
217.12231	0.9
218.10957	1.5
219.11749	5.3
219.13844	2.5
220.12422	1.9
221.13268	10.8
222.13705	1.0
223.11240	1.0
223.14854	3.2
225.12788	1.0
227.10646	2.4
227.14365	1.6
228.11328	1.2
230.10931	1.1
231.11674	2.0
231.13741	1.0
232.12453	1.4
233.13271	4.2
234.13998	2.6
235.11186	1.6
235.14778	7.5
236.15410	1.0
237.12769	1.0
237.16391	1.4
239.14244	1.6
241.12233	1.7
245.13258	2.0
245.15460	1.1
246.13763	0.9
247.14799	3.8
248.15686	1.0
249.12753	1.7
249.16359	3.7
251.14377	2.5
251.18140	1.3
253.15907	0.8
257.15393	5.0
259.14774	1.8
260.15341	0.8
261.12894	1.5
261.16406	3.0
263.14374	3.4
263.17831	3.5
265.15933	1.8
267.13809	1.7
269.15417	6.2
270.15927	1.0
271.17053	1.4
273.16287	1.0
275.18045	1.2
277.15939	2.6
279.13873	0.9
279.17578	0.9
281.15402	3.2
283.17023	1.4
289.16110	1.5
291.06546	0.8
291.17642	1.1
291.21063	2.5
293.15247	1.3
295.17041	3.3
297.18451	1.0
303.17459	2.3
305.19037	2.6
305.22513	1.2
307.09598	1.2
307.17056	1.6
307.20383	1.0
308.17627	1.2
309.07376	1.2
309.18497	2.3
319.24170	0.9
321.18546	2.9
323.20108	3.4
325.21649	1.6
329.19064	1.1
331.20795	1.5
333.22266	1.1
335.09241	1.5
348.06235	0.9
349.21628	2.6
363.08655	1.1
363.23322	1.7
364.23990	4.9
371.19974	0.9
385.21356	1.7
403.22510	2.0
403.26883	1.0
407.22244	1.0
409.25446	1.6
417.27808	2.2
427.26251	4.7
445.27368	9.9
463.28424	100.0
464.28796	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01880	0.6
55.05511	3.1
57.03432	0.6
57.07084	0.5
65.03949	0.8
67.05502	6.2
69.03432	0.8
69.07069	2.5
69.17523	1.7
69.17948	1.2
71.04987	0.7
76.97692	0.4
79.05482	4.3
79.17613	0.4
81.07055	6.8
83.04980	4.2
83.08603	0.9
85.06541	3.1
85.84415	0.4
91.05484	5.2
93.07040	7.5
95.04961	1.6
95.08604	13.9
97.06520	1.5
97.10156	0.4
97.58961	0.3
98.22651	0.8
103.05444	0.5
105.06372	0.6
105.07029	8.2
107.08598	5.7
109.06508	2.9
109.10161	1.9
111.04453	1.6
111.08089	2.1
113.05980	0.4
115.05454	0.8
117.07024	2.4
119.08579	7.7
121.06501	1.4
121.10123	2.3
123.08069	2.3
125.06023	0.5
125.09621	0.4
127.07584	0.7
128.05363	0.3
128.06189	1.9
129.07014	3.7
130.07779	0.4
131.08569	4.7
133.06380	0.4
133.10117	4.6
135.08035	0.9
135.11687	1.7
137.09595	0.5
139.07518	0.9
141.06979	2.5
141.09113	0.9
142.07776	3.9
143.08560	7.1
144.09357	0.5
145.10110	5.3
147.08076	1.1
147.11699	1.3
149.09604	0.6
151.07410	0.3
153.07002	1.6
154.07784	1.2
155.08553	13.3
155.09831	0.6
156.09329	2.5
157.10129	12.1
158.10562	0.7
159.08055	1.1
159.11700	3.8
159.54004	0.4
161.09642	2.5
161.13268	1.1
163.11159	0.5
165.07037	2.4
166.07777	1.6
167.08571	4.2
168.09322	2.0
169.10130	7.5
170.10663	0.6
171.08051	0.8
171.11696	5.0
172.12338	0.5
173.09706	0.6
173.13246	0.9
175.11176	1.1
177.09108	0.5
178.07745	1.1
179.08577	6.4
179.10696	1.2
180.09290	2.2
181.10097	8.9
182.10829	1.7
183.08110	0.5
183.11681	4.7
185.09619	1.0
185.13234	1.2
187.11092	0.4
189.12740	1.1
191.08582	1.4
192.09317	4.5
192.14398	0.4
193.10126	11.2
194.10896	3.7
195.11682	10.5
196.12457	2.0
197.09642	2.2
197.13249	5.3
198.13867	0.4
199.11130	1.4
199.14777	0.7
201.09132	0.6
201.12706	0.5
203.08640	0.5
203.10725	1.0
205.10165	3.6
206.10886	4.1
207.11678	18.5
208.12352	4.5
209.09680	1.6
209.13246	11.3
210.13870	1.7
211.14818	1.6
213.09100	0.9
213.12868	0.4
215.10643	0.9
216.09248	0.5
217.10155	0.9
217.12325	1.3
218.10928	0.9
219.11700	5.3
220.12411	2.8
221.09680	1.1
221.13248	19.4
222.13802	2.7
223.11176	1.2
223.14815	6.1
224.15378	0.7
225.12773	1.4
225.16431	1.0
227.10689	3.6
228.11290	0.4
229.15912	0.4
231.11710	1.1
232.12477	1.4
233.09560	0.6
233.13254	4.2
234.10472	0.5
234.13989	1.8
235.11349	1.7
235.14803	7.5
236.11984	0.6
236.15421	1.0
237.12762	1.0
237.16434	1.5
239.10582	0.7
239.14336	0.5
241.12241	1.1
243.13869	1.0
245.13266	1.8
246.13988	1.0
247.11150	0.5
247.14824	3.2
248.11856	0.5
248.15576	1.4
249.12779	3.5
249.16383	4.1
250.13246	0.4
250.16887	0.5
251.14249	2.4
251.17958	1.6
253.12184	2.2
253.16057	0.5
254.13014	0.8
255.13806	1.4
257.15363	2.5
259.14844	1.2
260.15582	0.5
261.12683	0.5
261.16391	2.4
262.17172	0.8
263.14334	4.0
263.17953	5.6
264.14935	0.4
264.18533	1.1
265.12335	1.0
265.15891	1.7
265.19348	0.4
267.13757	4.8
268.14478	0.7
269.15344	8.3
270.15796	1.0
271.14676	0.5
273.12997	0.3
273.16458	0.8
275.17929	1.1
277.16000	2.1
277.19052	1.9
279.13852	0.8
279.17551	0.4
280.14636	0.8
281.15402	2.9
282.15869	0.5
283.17035	2.1
285.18625	0.7
287.17914	1.3
289.15894	1.3
289.19394	0.8
291.17227	0.8
293.15359	0.8
295.16980	2.7
296.17538	0.5
297.18420	0.5
303.17322	1.1
305.18994	4.6
306.19550	0.5
307.16983	0.9
309.18527	3.1
315.21375	0.4
317.19125	0.6
321.18494	1.2
323.20050	9.9
324.20752	1.6
325.21774	0.6
331.20648	1.5
335.19949	0.7
337.21948	0.5
349.21631	1.2
361.21884	0.5
363.23581	0.4
364.23932	1.3
370.32208	0.4
399.27042	0.8
403.26559	4.2
409.25360	0.8
417.27893	3.8
419.29419	3.7
427.26257	1.6
428.26773	0.4
445.27414	7.5
446.27750	1.1
463.28421	100.0
464.28809	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42778	1.3
55.05507	7.0
57.07073	1.7
67.05506	12.3
69.03396	1.2
69.05796	6.7
69.06219	6.6
69.07063	4.6
71.04990	2.3
79.05492	7.4
81.07049	12.5
82.32819	1.2
83.04990	7.5
83.08620	1.7
85.06545	5.3
91.05477	10.2
93.07037	12.5
93.27574	1.3
95.04960	3.0
95.08609	23.4
97.06532	2.2
103.05450	1.4
105.07021	15.4
106.07355	1.4
107.05043	1.4
107.08578	11.9
109.06522	3.6
109.10157	4.1
111.04440	3.7
111.08083	3.8
115.05412	2.8
117.07031	4.6
119.08598	12.2
121.06492	2.6
121.10153	4.5
123.08087	7.1
128.06245	4.0
128.51477	1.2
129.07022	6.5
131.08546	7.9
133.06543	2.0
133.10103	7.8
135.08063	4.0
135.11656	3.1
141.06975	3.5
141.09096	1.4
142.07791	5.6
143.08589	10.8
145.10123	8.5
147.08086	1.5
147.11697	3.7
152.06177	1.5
154.07733	2.7
155.08543	17.0
156.09314	4.9
157.10109	17.9
159.08025	1.8
159.11746	8.6
161.09648	4.7
165.07024	5.8
166.07747	2.2
167.08508	7.2
168.09352	1.8
169.10115	13.6
170.10814	1.9
171.11665	10.1
172.08809	1.9
173.09709	1.3
173.13290	2.3
175.11131	2.6
178.07649	1.9
179.08572	9.3
179.10760	2.3
180.09322	5.3
181.10086	15.7
182.10896	3.2
183.11681	7.7
184.12267	1.8
185.09599	2.2
185.13286	3.8
187.11197	1.9
189.12733	2.5
191.08551	2.0
192.09277	7.8
193.10100	19.6
194.10907	7.7
195.11719	16.0
196.12376	2.8
197.09657	3.2
197.13225	10.2
201.09056	1.3
205.10155	5.0
205.12022	1.6
206.10924	8.0
207.11699	28.5
208.12379	6.4
209.09708	3.1
209.13254	21.4
210.13976	5.0
211.14850	4.2
213.09064	2.7
217.10022	1.4
217.12219	2.7
219.11661	7.6
220.12460	4.2
221.09865	2.0
221.13240	24.2
222.14015	2.9
223.11147	2.0
223.14795	12.1
225.12767	5.2
225.16438	3.4
227.10716	3.5
229.10199	1.5
231.11737	2.3
232.12479	1.8
233.13286	5.8
234.13939	3.9
235.11259	1.6
235.14767	8.5
236.15260	1.5
237.12723	2.0
237.16452	4.2
239.10680	1.4
241.12260	2.1
243.13922	1.5
245.13304	3.2
247.14833	3.8
248.15515	2.4
249.12836	4.8
249.16347	7.6
251.14316	3.2
251.17995	2.8
253.12276	2.6
257.15454	3.3
259.14929	2.2
261.16339	4.0
263.14236	2.7
263.17969	13.0
264.18445	2.3
265.15894	3.0
265.19348	1.6
267.13806	10.2
269.15439	8.9
275.14322	1.7
277.15997	1.7
277.19354	3.3
279.21115	1.9
281.15308	4.8
283.17020	2.7
289.19293	2.4
291.17514	1.6
293.15402	2.3
295.16953	4.8
297.18497	2.9
303.17554	1.5
304.21686	1.5
305.19064	7.4
305.22342	2.1
307.17081	1.6
309.18491	3.7
321.18576	3.0
323.20032	17.5
324.20615	3.2
325.21640	2.1
331.20572	1.7
347.20172	2.4
349.21634	2.5
364.23691	2.1
385.25397	3.0
399.26569	1.9
403.26318	31.7
404.26801	3.3
417.27850	6.6
419.29459	17.1
420.29825	1.8
427.26358	3.6
445.27377	19.1
446.27765	1.7
463.28421	100.0
464.28772	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02406	0.9
53.03944	1.3
55.01875	1.0
55.05518	6.5
57.03440	0.8
57.07074	1.1
58.20203	0.7
60.61932	0.7
64.60529	0.8
65.03935	0.7
67.05500	8.7
69.03423	1.2
69.07071	4.7
69.12360	5.8
71.05003	1.5
74.62190	0.7
78.36593	0.7
79.05486	5.9
81.07051	8.4
83.04982	7.7
83.08613	1.5
85.06541	6.1
91.05481	8.7
91.05947	1.0
93.07040	12.4
95.04982	2.4
95.08608	21.0
97.06559	1.9
99.04478	0.7
105.07037	15.1
107.08598	11.1
109.06547	4.3
109.10152	3.9
111.04440	4.2
111.08089	4.1
113.06048	1.6
115.05472	0.9
117.07023	4.8
119.08586	16.6
121.06495	1.8
121.10156	5.6
123.08084	6.2
125.09580	1.0
127.07592	2.2
128.06215	3.7
129.06999	6.2
131.08557	9.2
133.10124	9.0
133.10912	0.8
135.08017	4.0
135.11714	1.8
137.06035	1.2
137.09650	0.9
139.07571	3.1
141.06950	3.5
141.09137	1.4
142.07787	7.0
143.08551	13.0
144.09331	1.2
145.06461	2.6
145.10104	11.6
147.08063	2.4
147.11728	3.3
149.09631	1.0
153.07028	1.1
154.07829	1.6
155.08545	15.4
156.09364	4.7
157.10135	27.7
157.11444	1.5
158.10721	1.4
159.08072	1.9
159.11703	14.3
160.09016	0.8
161.09619	4.5
161.13243	1.1
163.11185	1.1
165.07008	4.2
165.09143	1.3
166.07770	2.5
167.08569	5.8
168.09360	2.6
169.10133	13.7
170.10890	2.9
171.08012	1.1
171.11708	10.6
171.13129	1.3
173.09599	1.3
173.13310	2.4
175.11227	2.7
177.09030	1.1
178.07777	1.7
179.08575	10.0
179.10625	4.2
180.09340	3.3
181.10136	12.2
182.10924	2.8
183.08154	1.2
183.11705	11.3
184.12413	1.4
185.09627	2.3
185.13251	5.6
187.11266	2.3
187.14825	1.7
189.12737	1.6
191.08618	2.5
192.09335	6.2
193.10130	14.7
194.10928	6.0
195.08185	0.7
195.11713	15.4
196.12384	2.7
197.09634	2.6
197.13280	11.0
198.13925	2.0
199.11166	2.5
199.14870	2.6
201.08987	0.9
201.12758	1.0
203.08606	0.9
203.10745	1.3
204.09425	1.3
205.10149	3.6
206.10913	7.2
207.11690	47.7
208.12395	7.6
209.09879	1.9
209.13251	21.6
210.13908	3.0
211.11273	2.3
211.14746	4.5
213.09163	2.5
213.12778	1.9
215.10651	1.0
217.10207	1.6
217.12273	4.1
218.11003	1.5
219.11711	6.3
220.12410	2.7
221.09830	1.0
221.13261	22.7
221.14944	0.8
222.13910	3.0
223.11206	2.2
223.14803	15.6
224.15440	1.0
225.12819	2.7
225.16371	2.7
227.10732	5.4
227.14363	1.2
229.12239	2.1
231.11716	2.7
231.13785	1.1
232.12465	1.4
233.13277	6.6
234.14066	2.9
235.11180	2.4
235.14842	10.4
236.15405	2.1
237.12773	1.8
237.16339	3.7
239.10684	1.7
239.14360	2.4
239.18068	1.1
241.12259	2.0
243.13889	1.4
245.13263	1.9
246.13991	1.4
247.11229	1.0
247.14822	5.8
248.15587	2.5
249.12802	8.1
249.16386	7.7
250.13277	0.9
250.17033	1.7
251.14276	3.6
251.17989	2.5
253.12285	3.4
254.12871	0.8
255.13873	2.5
257.15421	2.9
259.14868	1.2
260.15488	1.0
261.12903	0.9
261.16470	4.8
262.13370	0.8
263.14355	3.3
263.18002	11.0
264.18628	2.1
265.12439	1.3
265.15976	2.4
265.19543	2.4
266.13089	1.4
267.13788	21.9
268.14383	1.5
269.15335	12.0
271.17212	1.0
272.15634	1.0
273.12811	1.2
273.16367	1.7
275.14368	1.7
275.17825	1.9
277.15967	2.3
277.19553	3.5
278.20120	1.1
279.14108	1.9
279.17410	1.1
279.21063	1.3
281.15570	3.8
283.17041	3.7
285.18494	1.2
287.18027	1.9
289.15869	2.0
289.19455	2.1
291.13977	0.9
291.17661	0.9
291.21060	1.5
293.15518	1.8
295.16956	5.4
297.18655	5.2
303.17621	1.2
305.19089	7.2
305.22516	1.1
307.16928	2.4
307.20392	1.0
308.17667	1.1
309.18622	3.5
321.18591	2.0
322.19202	1.5
323.20050	26.9
324.20724	4.3
325.21729	8.1
329.18710	1.9
331.20493	1.2
343.20752	1.3
347.19983	1.1
349.21649	3.0
351.23312	1.2
361.21509	1.5
363.23270	2.2
364.23962	3.2
371.20065	2.2
385.25299	1.0
389.20703	1.6
389.90634	0.8
399.26660	1.2
403.26419	15.9
404.26691	2.0
407.22205	3.3
417.27887	8.2
418.28439	1.3
419.29440	8.8
427.26495	4.8
445.27350	14.0
446.28101	1.3
463.28436	100.0
464.28815	10.0
482.44894	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.05516	7.1
56.85470	1.4
67.05505	10.8
69.03394	1.4
69.07078	5.0
79.05508	4.9
81.07054	11.5
83.04975	10.8
85.06551	2.0
91.05489	12.4
93.07061	10.4
95.04988	2.6
95.08598	18.2
97.06544	2.4
98.23317	2.4
99.04462	2.4
105.07025	19.2
107.08588	10.5
109.06524	3.3
109.10137	3.4
111.04449	6.7
111.08077	3.7
113.06010	2.5
115.05522	1.9
117.07037	4.5
119.08582	18.7
121.06491	2.3
121.10155	5.8
123.08083	4.6
128.06232	4.0
129.07005	6.5
131.08580	11.2
133.10152	13.5
135.08080	3.3
135.11682	2.0
137.06030	1.4
139.07591	2.7
141.06950	2.8
141.09119	1.9
142.07782	5.4
143.08565	17.9
145.10110	14.6
147.08110	1.6
147.11708	4.7
153.07036	1.7
154.07791	1.8
155.08551	8.4
156.09346	4.0
157.10126	21.6
159.08081	2.6
159.11681	12.3
161.09659	5.7
165.07057	5.9
165.09099	2.6
166.07819	3.1
167.08481	6.6
168.09354	1.6
169.10101	15.1
169.11310	1.5
170.10869	3.0
171.11702	17.2
173.09636	2.3
173.13313	4.5
175.11188	1.5
177.09222	1.7
179.08534	7.9
179.10663	2.2
180.09348	3.4
181.10110	11.2
182.10866	2.5
183.07870	1.5
183.11655	13.9
185.09680	1.9
185.13254	7.2
187.11168	1.9
191.08640	3.0
192.09404	4.6
193.10135	17.7
194.10867	4.2
195.11694	16.3
196.12424	3.9
197.09552	1.8
197.13277	12.5
198.13956	2.4
199.11079	1.7
199.14728	3.1
205.10197	6.8
205.12057	2.3
206.10890	8.1
207.11691	29.4
208.12451	6.1
209.13235	16.1
210.13945	2.7
211.11177	2.6
211.14810	3.6
213.12811	2.0
218.10986	1.8
219.11601	7.3
220.12422	8.8
221.13234	29.0
222.14044	6.2
223.11198	3.0
223.14796	10.8
224.15451	2.0
225.12740	1.7
225.16368	2.2
227.10776	2.4
227.14484	1.8
229.12389	1.8
231.11682	2.8
231.13890	1.5
232.12570	2.2
233.13205	8.4
234.14026	3.3
235.11182	3.0
235.14803	26.2
236.15465	2.2
237.12764	3.5
237.16316	9.7
239.14325	2.7
241.12305	5.4
242.12866	1.5
244.12473	1.6
245.13194	1.7
245.15488	1.7
246.14079	2.5
247.14915	8.4
248.15642	2.5
249.12753	3.6
249.16510	7.1
250.17172	2.5
251.14308	3.7
251.17976	2.6
253.12285	3.1
253.15944	1.4
255.13788	4.5
257.13171	1.6
259.14810	2.7
261.12805	2.3
261.16324	6.7
263.14526	3.9
263.17993	10.4
264.18518	1.9
265.12411	1.7
265.15723	2.6
265.19556	2.1
267.13818	9.3
267.72321	1.4
269.15524	6.1
275.14508	1.4
275.17801	3.0
277.15924	7.4
277.19556	4.1
279.13904	4.4
279.17441	2.5
279.21042	3.1
280.14581	3.6
281.15393	8.3
283.16974	2.0
287.18143	2.4
289.19470	3.1
290.20380	1.5
291.17459	1.7
293.15231	2.3
295.16949	16.1
297.18585	5.3
303.17734	2.2
305.19052	9.7
307.17053	2.9
309.18497	2.8
317.18829	1.6
321.18420	3.0
323.20056	46.2
324.20428	6.4
325.21625	25.9
331.20642	1.6
343.20804	1.6
349.21649	3.5
361.21680	2.0
363.23233	2.7
364.23978	6.7
372.39206	1.5
389.20737	2.4
389.25180	2.3
403.26447	5.1
407.22232	2.4
417.28479	8.8
427.26245	5.6
435.25461	3.3
445.27515	11.8
463.28458	100.0
464.28946	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.5
55.01868	3.0
55.05508	13.5
57.03437	1.4
57.07071	6.1
65.03925	1.7
65.56092	1.4
67.05505	25.3
69.07076	14.0
71.05021	1.9
77.03937	2.2
78.13024	1.6
79.05492	13.4
81.07059	28.3
83.04979	8.7
83.08614	6.0
85.06544	19.7
91.05482	17.6
93.07050	22.5
95.04970	8.1
95.08608	43.9
97.06493	2.1
97.10174	3.3
100.00810	1.6
102.71938	1.6
105.03394	33.3
105.07030	26.6
107.08607	18.1
109.06512	7.5
109.10148	17.5
111.04434	7.1
111.08085	9.4
115.05444	2.7
117.06995	7.2
119.08569	20.4
121.06519	4.2
121.10137	9.9
123.08091	9.2
123.11736	5.5
128.06227	3.5
129.06996	11.9
130.07791	2.2
131.08575	12.9
133.06462	2.4
133.10118	13.9
135.08029	5.1
135.11688	6.4
137.05995	4.3
137.09665	2.1
137.13307	1.8
139.07550	6.4
141.07008	6.6
141.09122	2.7
142.07759	5.9
143.08557	15.6
144.09329	2.8
145.06459	1.6
145.10132	12.7
147.08075	5.4
147.11699	7.0
149.05945	3.6
149.09587	3.5
149.13297	1.8
151.07532	8.6
153.06990	3.4
154.07780	3.9
155.08556	21.4
156.09317	5.2
157.06485	7.3
157.10135	22.1
159.08084	3.3
159.11682	20.8
161.05988	3.5
161.09621	6.9
161.13220	4.3
163.11197	3.5
165.05630	3.1
165.07033	6.7
165.09117	2.9
166.07751	2.3
167.07054	37.5
167.08574	9.4
168.09259	3.3
169.10141	18.4
170.10945	2.7
171.08061	5.0
171.11687	13.5
172.12000	1.9
173.09596	3.5
173.13319	5.3
175.11232	4.7
177.09158	3.4
178.07753	2.6
178.95822	1.5
179.07185	2.1
179.08575	9.7
179.10745	2.8
180.09346	3.3
181.04999	3.7
181.06474	1.9
181.10114	18.9
182.10854	3.9
183.08058	6.1
183.11732	12.9
185.09634	4.2
185.13258	6.8
187.11244	4.0
187.14824	2.5
188.55354	1.7
189.09135	7.1
189.12727	5.9
191.08505	2.4
192.09364	2.7
193.10109	13.8
193.11873	2.2
194.10870	6.1
195.08112	5.2
195.11714	16.4
196.12506	3.0
197.09627	4.6
197.13242	10.4
199.11153	4.8
199.14801	3.6
201.09181	3.6
201.12767	3.4
203.08751	1.8
203.10677	2.3
205.10182	5.6
206.10809	7.7
207.08105	4.5
207.10043	2.4
207.11771	17.9
207.13692	3.1
208.08842	2.1
208.12436	7.3
209.09712	7.3
209.13242	16.4
210.13951	3.0
211.11198	5.7
211.14842	4.4
213.09152	2.9
213.12720	2.4
215.10677	3.3
217.10141	2.6
217.12146	3.5
218.10942	2.2
219.08153	2.7
219.11783	4.8
221.09669	4.4
221.13332	16.5
222.13774	3.0
223.11211	8.9
223.14801	14.3
224.15489	2.2
225.09138	2.1
225.12846	7.9
225.16408	5.1
227.10677	5.0
227.14343	2.3
229.12314	3.7
231.11621	3.2
232.12561	3.0
233.09644	2.3
233.13231	5.7
234.10498	2.5
234.13939	3.2
235.11182	7.1
235.14865	7.2
236.11812	2.1
236.15628	2.0
237.12755	6.8
237.16431	5.1
239.10532	1.9
239.14288	4.1
239.17906	3.0
241.12271	5.8
243.13901	2.4
245.13313	4.2
247.11165	3.7
247.14922	6.5
248.12022	2.6
249.12761	9.5
249.16481	4.4
251.14342	6.6
251.18044	3.6
253.12285	4.1
253.15894	2.1
255.13884	4.2
257.13080	2.4
257.15460	10.2
259.14706	3.4
261.12698	3.5
261.16281	3.8
261.55084	1.7
262.13556	2.5
263.14343	6.4
263.17950	8.0
265.12155	1.7
265.15915	4.0
265.19675	1.6
267.13876	10.4
269.15378	18.3
271.17130	2.6
273.12695	2.7
273.16388	1.9
275.14337	4.3
275.17758	2.3
277.12985	1.8
277.15833	7.6
277.19482	7.0
279.13898	1.8
279.21140	2.5
281.15390	4.5
283.17047	4.6
285.18881	2.6
287.14438	2.9
287.17850	3.9
289.15903	2.6
291.17532	1.9
293.15222	2.1
295.16928	6.5
297.18408	2.5
301.16168	1.8
303.17496	5.5
305.18924	13.9
307.20569	2.0
309.18539	3.6
321.18558	2.6
322.19342	2.0
323.20081	23.0
324.20624	2.4
325.21756	4.6
331.20642	6.8
349.21582	4.4
359.20023	1.9
371.19788	2.2
399.22903	3.7
399.27417	2.4
403.26587	9.3
409.25467	2.8
417.28485	10.3
419.29510	7.0
427.26346	12.4
427.32043	3.3
445.27429	42.8
445.33069	4.1
446.27634	6.2
463.28445	100.0
464.28799	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.05519	13.5
57.03432	1.5
57.07079	2.8
67.05510	12.6
69.03432	2.5
69.07075	10.6
69.09644	12.5
79.05497	7.5
81.07072	14.7
82.11035	1.4
83.04482	2.3
83.04984	31.8
83.08608	4.0
85.06535	2.8
88.91274	1.3
91.05473	14.8
93.07056	17.2
95.04962	6.6
95.08607	25.8
96.05253	1.9
97.06516	3.1
97.10172	1.6
99.00826	3.6
105.03393	10.5
105.07052	20.1
106.03757	3.1
107.08614	10.6
109.06508	3.7
109.10165	6.1
111.04449	16.5
111.08088	7.5
113.06036	2.3
117.07018	6.6
119.08575	22.6
121.06503	5.3
121.10183	7.8
123.08065	5.4
128.06238	3.9
129.06989	6.0
130.07765	1.6
131.08583	13.9
133.10152	15.8
135.08054	8.6
135.11690	3.3
137.05946	3.0
139.07556	4.9
141.06976	3.9
142.07787	6.5
143.08577	15.0
145.06471	2.1
145.10107	14.7
147.08060	4.3
147.11703	9.0
149.09590	3.4
154.07901	1.7
155.08575	10.3
156.09323	5.7
157.10152	23.3
158.10735	2.1
159.08086	5.4
159.11691	17.5
161.09677	7.8
161.13242	2.7
163.07555	2.5
163.11189	3.0
165.06950	4.2
167.08542	6.1
168.09360	2.7
169.10149	17.1
170.10805	4.4
171.11716	18.7
172.12457	1.4
173.09650	5.2
173.13258	5.5
175.11185	1.7
179.08556	6.2
179.10645	2.7
180.09308	4.0
181.04898	3.7
181.10117	13.3
182.10916	3.5
183.11681	15.0
184.12512	1.7
185.09628	4.7
185.13179	8.3
186.13823	1.7
187.11169	3.3
187.14819	2.2
189.12857	2.0
191.10625	1.8
192.09341	4.2
193.10168	12.7
194.10880	4.7
195.06552	7.6
195.11702	17.0
196.12437	2.1
197.09659	3.4
197.13251	12.5
199.11192	4.8
199.14803	3.0
201.12740	3.6
205.10202	4.3
205.12184	2.2
206.10884	6.5
207.08034	1.6
207.11705	23.3
208.12476	4.8
209.08122	4.6
209.09886	2.4
209.13251	16.9
210.13846	3.1
211.11162	3.7
211.14853	6.9
213.12766	4.2
217.10172	1.9
217.12143	2.8
218.10895	2.6
219.11769	7.5
220.12462	6.9
221.13272	23.2
222.14000	4.4
223.09601	4.7
223.11404	3.1
223.14816	15.2
224.15446	2.3
225.12749	4.0
225.16484	3.6
227.10735	2.4
227.14334	3.6
231.11598	3.7
231.13776	3.4
232.12321	2.8
233.13283	13.1
234.13979	3.5
235.11186	2.5
235.14810	13.6
236.11967	1.7
236.15602	4.1
237.12910	1.9
237.16402	7.7
239.14381	4.6
241.12221	7.2
244.12354	1.4
245.13150	2.6
245.15440	4.3
246.13968	2.4
247.14824	10.6
248.15552	5.0
249.12738	5.0
249.16325	9.9
250.16991	2.2
251.14450	4.0
251.17941	5.3
253.12094	3.0
253.15852	3.9
255.13737	4.0
257.15427	2.7
259.14755	3.5
260.15375	1.4
261.12924	1.9
261.16409	6.3
261.19144	1.5
262.17065	2.5
263.14322	4.4
263.17993	11.0
265.15814	4.6
265.19250	2.2
267.13733	5.5
267.17111	2.0
269.15436	7.9
271.16931	4.4
273.16223	3.0
275.14285	2.8
275.17987	4.1
277.15863	5.2
277.19470	5.6
279.14075	2.9
279.17432	5.0
281.15381	4.0
283.17142	3.1
287.17914	2.4
288.15042	2.0
289.16049	3.3
289.19482	4.4
291.17462	3.9
291.20789	3.1
293.15363	3.5
295.16910	6.8
297.18570	11.9
303.17365	2.0
303.21121	3.1
305.15994	1.6
305.18988	9.1
305.22498	3.1
307.16867	2.6
307.20361	3.3
308.17645	2.0
309.07639	2.5
309.18381	5.3
321.18506	4.7
323.20047	21.8
324.20627	2.3
325.21704	7.2
331.20526	2.9
333.21844	1.8
337.21622	3.2
346.23093	1.8
349.21655	5.5
350.22134	2.2
351.23474	2.7
353.24704	2.7
357.18054	1.6
361.21790	2.4
363.23251	4.5
364.23840	9.3
365.24631	2.1
375.23203	2.2
399.26944	2.8
403.26697	14.6
409.25238	2.1
417.28186	6.9
419.29608	3.7
427.26447	8.9
433.12070	2.3
445.27588	24.3
445.33109	3.3
446.27744	2.7
463.28287	100.0
463.34222	26.8
464.28815	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.4
55.05515	7.6
57.07080	2.9
59.05014	1.3
63.76051	1.1
67.05503	13.0
69.03415	1.5
69.07059	8.2
69.34517	1.3
69.64401	3.7
69.64811	3.8
71.33163	1.3
75.11629	1.4
77.60002	1.3
79.05485	8.7
81.03432	1.6
81.07059	11.7
83.04984	12.3
83.08652	2.7
85.06554	4.0
91.05476	16.2
93.07059	15.4
95.04960	3.2
95.08606	26.3
95.09155	1.7
96.08926	1.5
96.43240	1.3
97.06546	2.3
105.07030	16.5
107.05001	1.3
107.08601	13.6
109.06533	6.5
109.10197	4.4
111.04440	7.2
111.08102	4.8
117.07007	6.4
119.08589	19.6
121.06556	3.5
121.10175	6.1
123.08099	6.0
128.06265	3.2
129.07056	6.7
130.07788	1.5
131.03072	1.3
131.08568	10.8
133.10127	11.6
135.08086	4.5
135.11679	3.2
139.07533	3.7
141.07037	5.9
141.09119	2.5
142.07774	6.9
143.08582	11.1
144.09386	1.7
145.06418	1.7
145.10132	11.7
147.08107	3.4
147.11729	5.9
149.09660	2.2
149.82758	1.4
153.07010	1.9
154.07806	3.3
155.08557	19.8
155.09656	1.9
156.09262	3.3
157.10127	23.7
157.11270	2.0
159.08072	2.8
159.11726	13.4
161.09706	4.1
161.13293	2.3
163.11205	2.1
165.07068	5.6
166.07777	2.6
167.07327	1.8
167.08641	6.2
168.09389	2.5
169.10127	14.4
170.10812	1.4
171.08099	3.8
171.11665	10.6
173.09631	4.9
173.13280	2.7
175.11246	2.7
177.09212	1.8
178.07912	2.4
179.08481	11.6
179.10724	3.2
180.09387	3.6
181.10121	14.9
182.10890	4.5
183.08176	1.7
183.11681	11.9
185.09656	2.1
185.13341	4.6
187.11235	3.3
189.12755	2.7
191.08627	3.0
191.10861	1.5
192.09328	7.7
193.10138	18.7
194.10966	6.5
195.07957	1.4
195.11688	17.3
196.12419	2.9
197.09732	3.3
197.13242	8.6
198.13945	2.0
199.11226	3.2
199.14870	3.0
201.09123	2.0
201.12805	2.6
203.08614	1.5
203.68480	1.6
204.09503	1.7
205.10187	3.8
206.10893	9.6
207.11690	36.9
208.12411	6.3
209.09732	3.6
209.13257	23.0
210.13971	3.7
211.11241	2.4
211.14880	5.4
213.09177	3.0
213.12741	2.2
217.12289	5.0
219.11765	5.8
220.12393	4.7
221.09753	2.1
221.13242	19.9
222.14032	4.4
223.11302	2.9
223.14815	16.5
224.11783	1.3
224.15414	2.0
225.12807	4.0
225.16505	4.4
231.11790	2.8
231.13857	1.8
232.12415	1.4
233.09842	2.2
233.13184	6.3
234.13918	3.2
235.11234	2.9
235.14786	12.7
236.11844	2.2
237.12808	2.0
237.16460	5.1
239.10713	2.2
239.14444	3.6
241.12271	2.3
245.13185	1.6
246.14172	1.8
247.11143	2.0
247.14977	4.8
248.15547	2.6
249.12750	6.6
249.16370	8.6
250.16888	1.6
250.53354	1.4
251.14481	2.7
251.18094	3.3
253.12386	4.7
253.15872	2.4
255.14040	1.9
259.14920	2.9
261.16556	4.1
262.17343	1.7
263.14487	3.8
263.18060	10.5
264.18878	1.8
265.16147	2.3
265.19504	2.3
267.13754	14.4
267.46619	1.3
268.14273	2.2
269.15479	8.2
275.14188	3.0
277.16028	2.5
277.19543	4.0
279.17554	1.7
281.15472	3.8
283.16989	3.0
293.15628	1.5
295.17093	2.8
295.20480	2.9
297.18607	3.8
303.17575	2.9
305.19067	7.9
305.22357	1.5
307.17029	3.0
321.18530	1.7
322.19421	2.2
323.20074	27.8
323.23624	2.1
324.20755	3.4
325.21683	5.6
331.17078	2.0
335.20309	1.6
347.20258	2.6
349.21902	2.3
363.22977	1.6
364.24075	3.2
371.20151	1.8
392.63293	1.5
403.26364	19.3
407.22168	2.2
417.28024	5.4
419.29492	18.3
427.26904	3.5
445.22742	3.6
445.28476	15.2
446.28253	2.9
463.28571	100.0
464.29013	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.9
55.01872	1.2
55.05510	4.5
65.03936	0.9
65.42854	0.7
65.55444	0.7
67.05505	10.1
69.03442	1.0
69.07072	4.0
69.53599	1.2
69.53993	2.7
71.05001	0.7
79.05493	6.4
81.07059	10.2
82.07380	0.6
83.04982	6.0
83.08627	1.6
84.23051	0.6
85.06548	2.7
91.05478	8.2
93.07049	8.9
95.04977	1.9
95.08603	14.9
97.06535	2.0
99.04436	1.2
105.07022	9.7
107.04986	0.7
107.08592	8.2
107.09205	0.9
109.06533	1.9
109.10164	3.8
111.04427	3.0
111.08107	1.6
115.05444	1.3
117.06996	3.7
119.08580	9.4
121.06532	1.4
121.10157	2.9
123.08088	3.5
128.06242	2.6
129.07024	4.2
131.08574	6.1
133.06516	1.0
133.10114	6.8
135.08099	2.1
135.11729	2.3
137.06026	0.7
137.09602	1.0
139.07538	0.9
141.06982	2.5
141.09106	1.3
142.07785	4.2
143.08556	9.2
145.06464	1.0
145.10121	6.2
147.08096	2.5
147.11688	1.2
149.09630	1.3
153.07048	1.8
154.07784	1.1
155.08549	14.0
156.09315	2.8
157.10129	13.5
158.10835	1.2
159.08087	1.4
159.11713	4.0
160.08978	0.6
160.12360	0.6
161.09613	3.6
161.13350	1.1
163.07535	1.0
163.11237	1.7
165.06956	3.7
166.07814	2.3
167.08566	4.7
168.09348	1.5
169.10130	10.1
170.10728	1.2
171.08112	1.2
171.11676	4.2
173.09613	1.4
173.13243	0.9
175.11168	1.4
178.07828	1.6
179.08603	6.0
179.10623	1.0
180.09312	2.4
181.10112	9.6
182.10878	2.4
183.08104	1.1
183.11682	7.8
184.12503	0.8
185.09695	1.7
185.13292	2.0
187.11232	0.9
189.12793	1.5
191.08502	1.0
192.09325	5.3
193.10150	11.7
194.10893	3.9
195.08080	0.7
195.11690	12.6
195.13318	0.9
196.12384	2.0
197.09662	2.4
197.13226	6.6
199.11171	1.7
199.14993	0.7
201.09132	0.9
203.08658	0.7
203.10667	1.2
204.09409	1.0
205.10127	4.2
205.12035	0.9
206.10896	5.7
207.11664	21.9
208.12471	4.8
209.09648	1.5
209.13248	14.1
210.13962	2.2
211.11308	1.6
211.14864	2.6
212.15341	0.6
213.09190	1.0
213.12764	0.9
215.10541	0.7
217.10312	1.2
217.12305	2.1
218.10973	0.8
219.11711	5.0
220.12477	2.5
221.13254	19.5
221.15306	1.2
222.13898	2.7
223.11298	1.3
223.14761	7.3
225.12735	1.5
225.16385	1.5
227.10709	3.8
229.10175	0.9
231.09250	0.7
231.11768	1.5
232.12395	1.6
233.13226	5.3
233.15196	0.6
234.14032	2.3
235.11180	2.1
235.14752	7.2
236.15318	1.3
237.12717	1.5
237.16429	2.6
239.14429	1.9
241.12291	0.9
241.16005	1.0
245.13345	1.9
246.14046	1.7
247.14929	3.3
249.12743	3.5
249.16354	4.3
250.17183	1.3
251.14313	3.4
251.18007	1.7
253.12283	2.2
255.13866	1.8
257.15479	2.6
258.13968	0.9
259.15009	1.3
260.15604	0.8
261.12842	1.0
261.16397	3.3
262.13831	0.7
262.17090	1.3
263.14465	3.9
263.17880	6.3
264.18433	1.1
265.12494	0.8
265.15961	2.0
265.19565	1.3
267.13843	6.8
267.17566	1.2
269.15414	8.0
270.15958	0.9
271.14700	0.9
275.14307	0.8
275.18082	1.3
277.15903	1.5
277.19629	2.0
279.14084	1.0
280.14413	1.1
281.15216	3.2
283.17056	2.5
285.18689	1.5
287.17999	1.7
289.19537	1.3
291.17514	1.5
291.21082	0.9
294.16245	0.7
295.16940	3.8
297.18668	1.4
303.17410	1.6
305.18958	4.2
307.16986	1.5
308.17725	1.0
309.18570	2.4
317.19025	0.7
321.18643	1.2
322.19260	1.4
323.20047	10.2
324.20676	2.1
325.21777	1.2
331.20605	1.8
335.20279	0.7
347.19888	0.9
349.21585	1.6
364.23941	1.7
403.26486	6.1
404.26993	0.9
417.27872	3.9
419.29630	4.0
427.26529	3.6
445.27597	10.1
446.27679	1.5
463.28476	100.0
464.28772	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2841
Annotation	Lancilactone B
Peak:m/z	Relative Intensity
51.41744	0.6
53.03933	0.7
55.05513	3.4
57.03394	0.7
57.07068	0.5
60.37568	0.5
65.03899	0.9
67.05501	7.3
69.03393	0.5
69.07069	3.2
71.05000	0.6
79.05489	3.6
81.07053	6.8
83.04996	3.8
83.08611	1.4
85.06546	2.1
91.05476	5.2
93.07042	6.2
95.04972	1.2
95.08603	14.6
97.06524	0.9
105.07033	6.9
107.08591	5.6
109.06512	2.1
109.10149	2.8
111.04440	1.9
111.08090	2.6
113.05990	0.6
115.05441	0.7
117.07024	2.3
119.08576	7.5
121.06500	0.8
121.10095	3.5
123.08063	2.6
125.06058	0.5
127.07590	1.2
128.06223	2.3
129.07021	3.0
131.08577	5.6
133.10129	4.6
135.08060	1.7
135.11694	1.1
137.09671	0.7
139.07544	1.1
141.06985	2.2
141.09123	1.1
142.07759	3.9
143.08563	7.6
145.06425	1.0
145.10117	4.5
147.08034	0.9
147.11687	0.8
149.09615	0.7
153.06992	1.3
154.07712	0.7
155.08540	11.3
155.09666	1.0
156.09317	1.7
156.29990	0.6
157.10120	9.7
159.11713	3.4
161.09610	2.4
161.13254	1.5
163.11194	1.0
165.07065	2.7
166.07809	1.5
167.08534	3.7
168.09325	1.5
169.10133	8.0
171.11705	4.3
173.09642	1.2
173.13304	1.4
175.11157	1.4
178.07805	1.2
179.08569	5.0
179.10701	1.3
180.09320	2.3
181.10095	9.0
182.10886	1.0
183.11696	4.5
185.09596	1.2
185.13239	1.7
187.11267	1.1
189.12878	1.1
191.08469	1.2
192.09346	3.1
193.10133	9.4
194.10851	3.6
195.08102	0.9
195.11649	9.6
196.12442	2.3
197.09656	1.8
197.13249	4.9
199.11208	1.4
199.14891	0.9
203.10541	0.6
205.10181	1.9
206.10869	4.6
207.11694	16.4
208.12325	2.9
209.09648	2.4
209.13268	12.4
210.13893	1.3
211.11124	1.0
211.14827	2.1
213.09227	0.9
213.12804	0.9
215.10648	0.7
217.12228	1.5
219.11717	4.1
220.12445	1.9
221.09669	0.8
221.13251	14.3
222.13937	1.9
223.11267	1.1
223.14789	8.3
224.15419	1.3
225.12762	1.6
225.16438	1.6
227.10716	2.0
229.10237	0.6
231.11662	0.9
231.13829	0.7
232.12364	0.9
233.13254	3.7
234.14090	1.3
235.11253	1.1
235.14842	6.1
236.15384	0.9
237.12791	1.0
237.16443	2.0
239.14337	0.9
241.12294	0.9
243.13855	1.0
245.13255	1.4
247.11165	0.7
247.14833	3.2
248.15546	1.1
249.12758	3.6
249.16316	3.6
251.14284	3.0
251.17976	1.3
253.12302	1.6
257.15433	1.7
258.13879	1.0
261.12817	0.9
261.16364	1.8
262.16998	0.9
263.14413	2.7
263.17957	6.7
265.12250	1.3
265.15820	2.2
267.13715	4.9
269.15381	7.0
271.14529	0.8
273.16312	0.7
275.14676	0.8
275.17908	1.1
277.16144	1.1
277.19507	1.7
279.20996	1.0
281.15381	2.8
283.16937	1.5
287.17856	0.8
289.19397	0.9
291.17410	1.0
293.15448	1.1
295.16965	2.5
303.17529	0.8
305.19061	3.6
307.17023	0.7
309.18518	3.2
321.18427	1.1
323.20044	11.6
324.20486	1.0
325.21851	0.8
331.20590	0.9
349.21533	1.4
361.21490	0.9
363.23346	0.8
371.19977	0.8
375.23288	1.1
389.21136	0.9
399.26889	0.7
401.24533	0.6
403.26337	12.8
404.26495	1.7
417.27820	3.3
418.28461	0.6
419.29608	5.9
427.26373	2.3
445.27481	8.2
446.27768	0.8
463.28412	100.0
464.28784	10.0
484.16772	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.1
53.33310	0.5
53.78770	0.5
53.79374	0.5
55.01873	1.6
55.05514	6.3
57.03444	0.7
57.07074	0.5
65.03956	1.2
67.05508	10.1
67.05843	1.0
69.03448	1.8
69.07081	3.4
69.97089	0.5
71.04984	0.7
77.28125	0.6
79.05489	6.0
81.07058	7.2
81.78593	0.5
83.04492	0.8
83.04982	13.3
83.05455	0.9
83.08648	1.8
84.05330	0.8
85.06551	1.8
91.05474	8.7
93.07043	15.6
94.07372	0.8
95.04953	3.0
95.08610	16.6
97.02895	1.4
97.06564	1.5
103.05489	0.8
105.07040	11.2
107.05006	1.1
107.08598	8.8
107.09275	0.8
109.06538	2.7
109.10154	4.1
111.04444	7.8
111.08083	6.4
113.05996	0.8
115.05503	2.0
116.56477	0.5
117.07028	5.2
119.08588	12.1
119.09435	0.7
121.06499	4.2
121.10130	5.8
123.08048	3.4
125.06002	1.0
125.09656	0.8
127.07577	1.1
128.06255	3.0
129.07010	4.8
130.07828	1.2
131.08569	7.8
133.06532	1.9
133.10133	8.8
134.10657	0.5
135.08051	3.8
135.11746	1.7
137.05980	1.3
137.09647	0.5
139.07578	3.6
141.06978	3.4
141.09195	0.7
142.07776	3.9
143.08582	7.9
144.09328	0.9
145.06557	1.7
145.10138	8.0
146.10602	0.9
147.08035	3.2
147.11685	3.6
149.05981	0.7
149.09674	1.9
153.07022	1.0
154.07828	1.5
155.08556	22.2
156.09346	3.8
157.10130	12.8
158.10725	0.9
159.08058	3.2
159.11691	6.8
160.08743	0.6
161.06093	0.6
161.09610	3.8
161.13316	1.7
163.07617	2.0
163.11282	1.6
165.05656	1.3
165.07100	2.0
166.07782	1.1
167.07072	1.7
167.08633	2.5
168.09407	2.5
169.10144	9.2
170.10794	1.4
171.08148	1.7
171.11702	7.7
172.08907	0.7
173.09619	4.0
173.13344	2.3
174.10466	0.7
175.11159	3.0
177.09145	2.0
178.07895	1.3
179.08537	3.8
180.09377	2.2
181.10123	8.1
182.10956	1.7
183.08159	1.0
183.11690	7.4
184.08937	1.0
184.12564	1.0
185.09666	3.9
185.13287	4.7
186.13893	0.6
187.07652	1.4
187.11179	3.3
187.14847	0.9
189.12787	1.9
191.08591	1.1
191.10751	2.2
192.09325	2.9
193.10149	7.5
194.10936	3.9
195.08127	1.2
195.11690	9.5
195.13336	0.8
196.12471	2.1
197.09583	3.6
197.13298	6.1
199.07753	0.7
199.11165	3.1
199.14922	2.2
201.09163	1.4
201.12856	2.6
203.08829	0.8
203.10831	1.7
204.09421	0.9
205.10231	3.0
205.12210	1.3
206.10912	3.1
207.11690	10.9
207.13580	0.8
208.08968	0.7
208.12335	2.8
209.09711	1.9
209.13269	8.9
210.10538	0.7
210.14087	1.2
211.11299	2.4
211.14883	2.0
213.09143	0.9
213.12823	2.6
215.10741	0.9
215.14322	1.1
217.10376	1.2
217.12335	1.4
218.11002	1.4
219.11772	4.6
219.13968	2.5
220.12424	3.1
221.09721	1.3
221.13240	10.4
222.10388	0.7
222.14113	0.8
223.11317	2.4
223.14847	4.1
224.15443	1.2
225.09200	1.0
225.12717	4.6
225.16589	0.8
227.10663	4.4
227.14447	2.2
229.10201	0.9
229.12485	0.8
231.11781	1.8
231.13930	1.1
232.12550	1.8
233.13243	5.3
234.14014	1.3
235.11230	2.0
235.14803	7.3
236.15494	1.6
237.12910	2.6
237.16368	2.9
239.10701	0.8
239.14233	2.9
239.17979	0.7
241.12309	1.5
243.11743	0.8
243.13968	1.8
244.12700	0.6
245.13322	2.6
245.15422	1.3
246.14063	1.2
247.11316	1.6
247.14804	5.7
248.12125	0.7
248.15645	1.2
249.12697	2.7
249.16431	3.8
250.16946	0.8
251.14262	3.2
251.18034	1.4
253.12312	2.5
253.16052	1.4
255.13985	1.2
257.13226	0.8
257.15488	3.1
258.13916	0.7
259.14917	1.4
260.15482	1.0
261.13409	1.1
261.16513	4.9
262.13669	0.9
262.17215	1.0
263.14310	4.0
263.17862	3.1
264.14792	0.7
265.12671	1.1
265.16013	2.9
265.19443	0.6
267.13934	1.5
269.15384	7.3
271.14664	0.8
271.17212	1.3
273.12897	0.8
273.16483	1.8
274.17047	0.9
275.14395	3.0
275.17938	1.3
277.12198	0.8
277.15988	3.6
277.19379	1.4
279.13940	1.9
279.17584	1.5
279.20874	0.9
281.15552	2.6
283.17145	1.4
287.14542	1.3
287.18018	1.2
289.16019	2.3
289.19382	1.3
291.14166	1.0
291.17599	2.0
291.21240	1.5
292.14468	0.7
293.15448	3.2
293.18533	0.7
295.17093	2.6
297.18668	0.8
297.34290	0.7
301.16016	1.2
301.19846	0.7
303.17343	2.7
305.15735	1.0
305.19092	2.6
305.22583	1.2
306.16443	0.7
307.16965	2.2
307.20511	1.3
308.17868	0.7
309.18561	1.9
313.19458	0.6
315.17389	1.0
315.90494	0.7
317.19189	1.3
317.22675	0.8
319.17175	0.7
319.20724	1.1
321.18506	3.2
322.19104	0.8
323.16635	1.0
323.20081	5.5
324.20767	1.1
325.21909	1.3
327.17606	0.8
328.21921	0.8
329.19186	1.1
329.22803	0.8
331.17136	0.8
331.20685	1.7
335.20154	1.9
336.20700	0.7
337.21667	1.3
343.20645	1.3
347.20187	1.4
349.21677	3.3
351.23187	1.3
353.24731	1.0
361.21701	0.8
363.23340	2.1
364.23895	5.9
375.23581	1.3
385.21582	1.1
399.23355	1.8
399.27618	1.0
403.22495	1.1
403.26862	1.0
409.21280	1.0
409.25928	1.0
417.23291	1.0
417.28592	4.6
427.22345	2.0
427.27441	4.4
435.25443	1.2
445.23639	5.0
445.27954	5.3
446.28735	1.2
463.28662	100.0
464.29010	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2842
Annotation	Lancilactone B
Peak:m/z	Relative Intensity
53.03944	1.4
55.05521	4.3
56.07524	0.8
57.03431	0.9
57.07066	1.0
67.05509	7.7
69.03439	1.6
69.07063	2.8
69.71884	2.0
69.72292	3.2
71.04988	0.8
72.28317	0.9
79.05508	4.9
81.07059	7.1
83.04963	3.9
83.08590	1.5
85.06561	3.2
91.05479	8.1
93.07050	7.7
94.73653	0.9
95.04983	1.2
95.08041	1.5
95.08607	17.2
95.09163	1.7
97.10191	1.2
98.23322	1.3
105.07053	8.8
107.08604	7.1
109.06532	3.0
109.10160	2.9
111.04463	1.8
111.08077	2.1
117.07040	3.3
119.08579	9.0
121.06525	1.8
121.10159	3.0
123.08072	3.8
123.11716	1.1
127.07537	1.1
128.06259	2.4
129.06999	4.6
131.08563	6.3
133.10165	5.8
135.08038	2.3
135.11710	1.3
137.05974	0.9
139.07561	1.1
141.07031	2.8
142.07788	3.8
143.08566	7.4
145.10130	6.2
147.08107	2.0
147.11713	1.3
149.09679	0.8
151.03682	1.0
151.07536	1.1
153.07022	1.4
155.08562	11.9
156.09335	2.7
157.10144	13.6
159.11670	4.6
161.09651	2.9
161.13239	2.1
163.11185	1.7
165.07011	3.7
165.09163	1.1
166.07800	2.4
167.08556	4.7
168.09369	1.6
169.10139	8.6
170.10870	1.2
171.11710	5.9
173.09645	1.0
173.13283	1.1
175.11166	1.0
179.08588	8.1
179.10718	1.4
180.09352	2.6
181.10121	9.3
182.10797	1.8
183.11656	5.6
185.09732	1.2
185.13258	2.2
187.11101	1.0
189.12779	2.1
191.08533	2.1
192.09427	4.4
193.10132	10.7
194.10884	3.8
195.11713	11.3
196.12328	1.3
197.09622	1.2
197.13312	7.3
198.13791	0.9
199.11273	1.7
199.14835	1.4
202.07791	0.9
205.10162	3.0
206.10884	4.4
207.11699	20.3
207.13654	1.5
208.12398	4.6
209.09663	2.1
209.13234	13.5
210.13988	2.9
211.11307	1.5
211.14825	2.4
213.09067	1.2
213.12645	0.9
218.11070	0.9
219.11636	5.2
220.12473	3.4
221.13257	15.7
221.15311	1.5
222.13855	1.9
223.11313	1.6
223.14792	8.5
225.12820	1.8
225.16451	1.7
227.10667	2.7
229.12234	0.8
231.11777	1.9
232.12466	1.6
233.13243	4.1
234.14050	2.7
235.11136	2.6
235.14787	7.7
236.15398	1.3
237.12828	1.0
237.16350	1.9
239.14342	1.5
239.18010	1.2
243.14027	1.0
245.13240	2.2
246.13870	1.0
247.11000	1.2
247.14880	2.8
248.15483	1.6
249.12737	4.1
249.16362	5.7
251.10497	1.2
251.14372	3.2
253.12253	1.4
255.13701	1.1
257.15363	1.8
259.15112	1.1
261.16406	2.4
262.13412	1.0
263.14392	3.2
263.17920	7.4
264.18594	1.7
265.15970	2.2
265.19238	0.9
267.13791	6.6
269.15387	6.6
270.15707	1.0
275.14502	1.2
275.17926	1.2
277.16150	1.1
277.19513	2.2
279.17471	1.0
279.21005	1.1
280.14664	1.1
281.15347	3.4
283.16974	2.7
287.17899	1.3
289.19257	1.1
291.17471	1.5
295.17010	2.2
297.18521	2.1
303.17389	1.5
305.18994	4.7
307.16968	1.1
307.20541	0.9
309.18518	2.4
321.18536	1.6
323.20123	15.1
324.20587	2.5
325.21753	1.8
331.20700	2.3
335.19931	1.2
349.21652	1.5
363.23367	1.2
364.23975	2.2
389.21124	1.4
399.26801	1.0
403.26401	20.1
404.26724	2.3
407.22522	1.2
417.27750	5.1
418.28098	1.2
419.29422	9.1
420.30139	1.1
427.26035	3.1
445.27341	13.9
446.27777	1.3
463.28439	100.0
464.28821	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.2
56.80317	1.4
57.07082	3.0
65.54181	1.4
67.05506	9.0
69.03432	1.8
69.07056	6.1
69.28553	10.0
71.04987	2.0
71.08616	1.3
75.02065	1.2
79.05492	7.0
81.07066	10.5
83.04968	5.9
83.08618	2.1
85.06524	2.9
91.05476	9.5
93.07045	13.3
95.04971	3.0
95.08609	20.4
97.06548	2.1
105.07027	13.9
106.07339	1.5
107.08584	11.6
109.02813	1.8
109.06514	6.1
109.10158	6.2
111.04436	4.6
111.08092	2.1
117.07017	4.1
119.08567	11.3
121.06533	2.7
121.10183	3.3
123.08078	5.2
123.11694	1.6
129.07002	4.7
131.08553	7.6
133.10135	5.7
135.08075	3.5
135.11731	3.2
137.06036	2.1
139.07541	2.3
141.06993	3.3
142.07790	5.8
143.08591	9.5
145.10153	7.8
147.11668	5.3
151.03915	9.6
153.07025	1.8
155.08569	13.4
157.10133	18.7
159.11723	6.1
161.09596	2.5
161.13338	2.5
165.07048	2.1
166.07828	2.4
167.08569	5.7
168.09332	2.0
168.64716	1.3
169.08829	2.1
169.10167	10.7
171.11719	6.7
173.13280	2.3
177.09282	1.7
178.07867	2.4
179.03383	1.8
179.08560	9.6
180.09390	3.1
181.10175	10.8
182.10966	2.1
183.08047	1.7
183.11658	9.3
185.09634	1.6
185.13275	3.2
187.11316	1.9
189.12767	2.1
191.08464	1.7
192.09335	3.5
193.10149	16.2
194.10944	6.1
195.11687	14.6
196.12448	1.8
197.04474	2.9
197.09613	1.9
197.13243	9.0
199.11188	2.9
205.10190	4.1
206.10876	7.3
207.11700	26.4
207.13669	2.3
208.12427	6.1
209.09645	2.0
209.13275	20.8
210.13936	3.5
211.14801	3.1
213.12759	1.7
215.10661	2.0
217.12245	1.8
219.11690	7.1
220.12453	3.1
221.13264	20.6
222.13834	2.0
223.11372	1.7
223.14774	10.9
224.15540	1.6
225.16470	2.3
227.10703	3.6
233.13312	4.8
235.14848	8.9
236.15593	2.2
237.16443	2.1
239.10742	2.1
239.14311	2.2
241.12315	2.2
243.13835	1.5
245.13319	2.4
247.14909	5.1
248.15523	2.2
249.12794	3.8
249.16359	6.6
251.14352	4.4
251.17998	2.0
255.13860	2.1
257.15317	2.5
259.16818	3.9
261.16299	3.5
262.17261	1.8
263.14398	3.2
263.17975	8.1
264.18369	1.8
265.15958	2.3
267.13754	8.0
269.15366	8.8
275.14212	2.4
275.17883	1.7
277.19644	4.2
281.15393	3.8
283.16974	2.2
287.05457	1.7
295.16843	3.5
297.18448	1.7
303.17508	2.1
305.19003	7.7
305.46625	1.5
307.17023	2.6
309.18616	3.3
321.18805	1.7
323.20084	15.7
324.20880	3.5
325.21490	2.4
329.74918	1.3
331.20670	2.0
363.22986	1.5
364.23514	2.2
399.27069	1.8
403.26361	19.2
403.32089	8.3
404.26587	2.7
417.27972	4.2
419.29538	9.4
427.26315	3.8
445.27359	11.9
445.32574	1.6
446.27353	2.0
463.28482	100.0
463.35104	11.6
464.28900	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.05500	4.4
57.03418	1.1
57.07066	1.7
62.85194	1.0
65.03948	1.6
67.05503	7.1
69.03435	1.3
69.05910	6.9
69.06329	1.7
69.07068	4.7
78.17925	0.8
79.05501	4.3
81.07056	7.8
83.04957	6.3
83.08590	1.2
85.06541	3.4
91.05481	5.5
93.07040	8.5
95.04967	1.7
95.08609	14.5
95.79813	0.9
99.04475	1.0
105.07037	10.3
107.08594	7.7
109.06539	2.2
109.10158	3.5
111.04452	2.5
111.08098	1.4
113.05978	1.2
117.07014	2.7
119.08591	7.7
121.06506	0.9
121.10165	1.5
123.08030	3.0
123.11709	1.0
128.06258	1.9
129.07030	3.5
131.08594	5.4
133.10120	5.1
135.08044	1.8
137.05975	1.2
139.07591	1.4
141.06998	2.8
141.09068	1.2
142.07796	3.5
143.08557	7.6
145.10124	5.4
147.08025	1.7
147.11684	2.9
149.09673	1.2
155.08545	13.0
156.09308	1.9
157.10118	12.7
159.08031	1.1
159.11655	4.6
161.09665	2.6
163.11194	1.1
165.07014	3.0
166.07817	1.5
167.08539	4.5
168.09396	2.2
169.10167	8.2
170.10806	1.2
171.11653	5.8
173.09665	1.5
173.13208	1.6
174.39189	1.0
175.11288	1.5
178.07826	1.4
179.08574	7.1
179.10614	1.5
180.09358	3.0
181.10089	9.6
182.10777	1.6
183.11690	5.7
185.13278	2.0
187.11148	1.7
189.12729	2.0
191.08594	2.5
192.09372	3.4
193.10100	10.9
194.10938	4.3
195.11674	11.4
196.12347	2.2
197.09662	2.9
197.13252	6.6
199.11188	1.5
199.14795	1.1
205.10155	3.4
206.10884	4.6
207.11659	17.0
208.12410	3.2
209.09613	2.5
209.13246	11.8
210.13860	3.6
211.11203	1.6
211.14772	2.7
217.10248	1.4
217.12299	2.7
218.11002	1.2
219.11559	4.4
220.12439	2.7
221.13263	18.3
221.15315	1.2
222.13872	1.7
223.11305	1.3
223.14810	10.8
223.16866	1.4
224.15453	1.6
225.12746	2.8
225.16420	2.2
227.10689	2.9
229.12283	1.3
233.13260	4.4
234.14035	1.6
235.11266	1.4
235.14824	7.3
236.15401	1.2
237.12810	1.3
237.16257	1.9
239.14383	1.6
241.12344	1.5
243.13911	1.0
245.13307	1.2
247.14886	4.3
248.15634	1.8
249.12819	3.9
249.16432	4.3
251.14311	3.9
253.12248	1.7
257.15359	1.4
261.16458	2.7
263.14420	3.9
263.17972	8.2
265.16034	1.7
265.19440	1.2
267.13797	4.8
269.15405	9.7
275.18051	1.8
277.16071	1.4
277.19498	1.8
281.15436	4.1
283.16907	3.0
287.17654	1.2
289.15979	1.4
295.16895	3.3
303.17499	1.8
305.19058	3.4
309.18475	3.5
321.18564	1.5
323.20053	12.3
324.20657	1.8
325.21487	1.2
331.20474	1.2
349.21768	2.6
375.23367	1.0
380.81995	1.1
388.31857	0.9
403.26279	13.4
404.26547	1.8
417.27832	3.0
419.29510	6.3
427.26276	1.8
445.27234	9.2
446.28128	1.4
463.28439	100.0
464.28812	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2843
Annotation	Cochloxanthin
Peak:m/z	Relative Intensity
55.01867	2.0
55.05507	8.6
64.79435	1.1
67.05505	9.6
69.03425	1.8
69.07073	4.2
69.31464	7.0
79.05489	7.8
81.03408	1.5
81.07056	11.4
83.04985	19.4
85.06549	1.4
87.08909	1.0
91.05476	11.4
93.07050	16.6
95.04975	4.5
95.08604	21.8
97.06516	1.4
99.04456	2.4
105.03409	2.4
105.07034	15.6
107.08587	10.8
109.06508	9.9
109.10133	5.4
111.04449	11.0
111.08064	6.8
115.05443	1.9
117.07032	7.1
119.08588	16.2
121.06493	3.3
121.10140	5.6
121.53087	1.2
123.08034	3.0
123.11756	1.7
127.07530	1.7
128.06224	3.3
129.06996	6.6
131.08571	13.3
133.06549	1.2
133.10123	10.3
135.08127	2.6
135.11725	2.2
137.05992	2.4
139.07544	5.4
141.06984	2.5
142.07765	5.7
143.08575	13.5
145.06465	1.9
145.10107	11.8
147.08047	3.7
147.11681	6.1
149.09616	2.2
149.13266	1.9
153.07109	1.6
155.07256	2.0
155.08543	17.8
156.09286	3.5
157.10132	15.4
159.08093	3.8
159.11690	12.1
161.09639	2.6
161.13278	2.6
163.07558	2.2
163.11250	1.6
165.06943	2.5
166.07747	1.2
167.08612	4.0
168.09341	2.7
169.10110	10.5
170.10873	3.9
171.08072	5.9
171.11720	8.6
172.08887	1.5
173.09653	4.6
173.13281	3.3
175.11176	1.5
177.09148	1.6
177.12706	1.5
179.08585	3.4
180.09174	2.7
181.10078	6.2
182.10828	2.5
183.08049	2.3
183.11687	11.4
185.09653	3.9
185.13208	8.0
187.11209	2.9
187.14880	1.5
189.09067	1.6
189.12756	2.7
191.08575	1.4
191.10661	2.6
192.09264	1.7
193.10132	7.0
194.10927	3.9
195.07993	2.2
195.11714	9.7
196.12338	2.1
197.09622	4.1
197.13243	8.3
198.14101	1.6
199.11188	4.2
199.14882	2.7
201.12827	3.0
203.10573	1.2
205.10182	3.5
205.12207	1.8
206.10905	3.2
207.11684	13.1
208.12335	2.0
209.09668	2.0
209.13220	6.9
210.13860	1.3
211.11221	2.7
211.14821	3.5
213.12733	13.7
213.14397	1.3
214.13327	1.3
215.10765	1.7
215.14328	2.5
217.10213	1.3
217.12210	1.4
219.11678	4.1
219.13710	2.0
220.12425	3.7
221.13255	11.9
222.13905	2.6
223.11241	2.6
223.14856	5.3
225.12790	4.1
227.10680	2.6
227.14355	3.8
229.12308	1.8
231.11671	2.6
231.13832	4.9
232.12231	2.2
233.13268	7.4
233.15285	1.5
234.13965	2.1
235.11209	2.0
235.14867	9.9
236.15308	1.3
237.12798	2.3
237.16348	2.8
239.14307	3.4
243.13858	1.6
245.13266	3.5
245.15442	1.7
246.13683	1.8
247.11133	1.5
247.14832	5.3
248.15518	1.3
249.12810	2.3
249.16467	4.3
251.14151	3.3
251.18045	1.9
255.13896	1.6
257.13071	2.1
257.15399	3.8
259.14938	1.8
261.12939	1.0
261.13943	1.0
261.16443	7.9
262.16940	1.9
263.14417	4.9
263.17963	4.5
264.18552	1.6
265.15955	2.0
267.13867	2.4
269.15411	5.1
273.16324	1.8
275.17920	3.4
277.15939	3.3
277.19449	1.8
279.17484	2.2
279.20859	1.3
281.15375	2.3
285.16187	1.4
287.17963	2.6
289.15942	2.4
289.19205	2.3
291.17639	1.3
293.15402	2.5
293.19202	1.5
295.16843	3.6
297.18451	3.0
300.94217	1.2
303.17361	2.7
305.15683	1.6
305.19086	4.2
305.22528	2.4
307.17041	2.7
307.20480	2.2
309.18582	2.5
309.22110	2.3
319.24384	2.4
321.18512	4.9
323.20105	5.9
324.20828	1.7
325.21429	2.2
331.20685	2.0
336.20636	2.0
349.21686	4.5
350.22467	2.0
351.23428	2.6
363.23248	2.5
364.23807	9.7
385.21622	1.3
399.26868	2.3
403.26315	1.9
409.25330	1.8
417.28165	8.9
427.26334	8.9
445.27454	16.8
446.27927	2.1
463.28412	100.0
464.28860	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05809	0.4
53.03943	0.8
55.01869	0.9
55.05516	5.8
57.03424	0.7
65.03967	0.5
67.05174	0.6
67.05506	7.5
69.03434	0.7
69.07071	2.6
70.97372	0.4
71.04971	0.5
79.05499	3.1
81.07054	5.9
82.07354	0.5
83.04984	13.8
83.08633	1.1
85.02918	0.5
85.06547	1.8
91.05480	7.0
93.07046	11.9
95.04978	2.1
95.08607	13.2
96.08945	0.5
97.06527	1.4
97.10219	0.5
99.04440	0.7
103.05382	0.6
105.07030	8.8
106.07310	0.6
107.04964	0.5
107.08593	6.5
109.06526	1.9
109.10152	3.1
109.29676	0.5
110.39271	0.4
110.90265	0.4
111.04440	7.3
111.08085	5.3
111.08778	0.6
113.05997	0.9
115.05480	0.7
117.07030	4.1
119.08588	11.4
120.08921	0.6
121.06533	2.3
121.10136	4.0
123.08075	2.1
123.11693	1.2
125.06022	0.7
127.07661	0.5
128.06256	1.6
129.07004	4.1
130.07808	0.5
131.08556	6.0
133.06468	0.6
133.10141	7.0
134.10414	0.7
135.08061	1.9
135.11696	1.3
137.05978	1.3
137.09615	0.4
139.07542	4.0
141.06007	0.5
141.06938	2.4
141.09041	0.5
142.07770	3.1
143.08568	5.7
144.09149	0.7
145.06464	1.5
145.10109	6.6
147.08055	1.7
147.11702	3.9
149.09644	1.2
153.07019	1.1
153.12843	0.4
154.07800	1.0
155.08553	16.0
156.09309	2.4
157.06506	0.6
157.10126	11.9
158.10512	0.6
159.08101	2.0
159.11699	6.1
160.08803	0.6
161.09625	2.3
161.13271	1.3
163.07570	1.3
163.11139	0.8
165.07013	1.3
166.07695	0.8
167.07048	1.8
167.08574	3.1
167.10704	0.6
168.09332	1.8
169.10139	7.6
170.10844	1.2
171.07983	0.7
171.11671	7.0
173.09717	2.3
173.13269	2.3
175.11214	1.5
177.09125	0.6
178.07796	0.8
179.08571	3.5
180.09311	1.0
181.10130	5.7
182.10872	1.5
183.08179	0.7
183.11716	6.0
184.12465	0.9
185.09656	1.2
185.13261	3.5
186.13661	0.5
187.11226	1.5
187.14844	0.7
189.09219	0.6
189.12744	1.0
191.08565	0.8
191.10701	2.5
192.09343	2.0
193.10129	5.4
194.10860	2.8
195.08025	0.7
195.11674	7.0
196.12416	2.0
196.67838	0.5
197.09622	3.2
197.13261	7.1
198.13983	0.9
199.11169	1.9
199.14851	1.7
201.12782	1.7
203.08597	0.6
205.10123	2.4
205.12297	1.8
206.10826	3.1
207.11707	9.8
208.12329	2.1
209.09587	1.7
209.13261	8.5
210.13792	1.0
211.11177	0.9
211.14746	2.3
212.11873	0.6
213.09143	0.8
213.12743	1.7
215.10655	0.7
215.14185	0.5
217.10176	0.9
217.12256	1.6
218.10875	1.8
219.08238	0.5
219.11691	4.6
219.13849	1.9
220.12354	2.4
221.09819	0.6
221.13248	10.3
221.15289	0.6
222.09970	0.5
222.13942	1.2
223.11305	0.6
223.14789	4.3
224.15361	0.5
225.12819	1.8
225.16435	1.2
227.10715	3.1
227.14354	1.2
229.12193	1.2
231.11696	1.7
231.13907	1.1
232.12411	1.5
233.13234	6.2
233.15341	0.9
234.13831	2.2
235.11110	1.2
235.14813	8.1
236.15347	1.5
237.12738	1.5
237.16351	2.1
239.14320	1.5
241.12346	1.0
243.11598	0.7
243.13786	1.3
243.68233	0.4
244.12257	0.5
245.13193	2.1
245.15459	1.2
246.10278	0.5
246.13977	0.9
247.11240	0.5
247.14796	4.5
248.15495	1.2
249.12729	2.5
249.16351	4.5
250.17053	0.6
251.14267	2.4
251.18074	1.2
253.12219	0.6
253.15939	0.5
255.13803	1.5
257.12988	0.8
257.15573	2.2
258.14102	1.0
259.14749	1.8
260.11136	0.5
260.15533	0.8
261.13123	1.1
261.16422	5.4
262.13214	0.8
262.17053	1.2
263.14597	2.8
263.17874	3.3
265.12292	1.1
265.15881	1.7
265.19580	1.1
266.12857	0.5
267.13843	1.9
269.15421	6.8
270.15848	0.7
271.17068	1.0
273.16360	1.3
275.14334	1.3
275.17938	1.4
276.14999	0.6
276.18716	0.7
277.15872	2.1
277.19452	1.8
278.16583	0.5
279.13800	1.4
279.17422	1.5
279.20746	0.6
280.76797	0.5
281.15442	2.0
283.16986	1.0
287.14432	0.8
287.17813	0.9
289.15860	2.0
289.19592	1.3
291.13730	0.5
291.17361	1.5
291.21069	2.0
293.15259	1.5
294.16183	0.9
295.16980	1.7
297.18512	1.2
300.18405	0.6
301.19412	0.6
303.17368	1.9
303.20828	1.0
305.19012	2.4
305.22635	1.1
306.15915	0.7
307.16876	1.8
307.20358	0.8
308.17587	1.3
309.18335	2.4
313.19595	0.8
317.15350	0.5
317.19073	1.1
319.24179	0.8
321.18427	4.3
322.18979	1.2
323.20023	7.4
324.20645	1.4
325.21561	2.0
328.17682	0.5
329.18915	0.9
331.20532	2.3
333.22342	0.9
335.19876	1.0
336.20688	1.1
337.21649	0.9
346.23199	0.6
347.20050	0.9
349.21613	3.4
350.22055	0.6
351.23184	1.1
353.24829	1.1
357.22134	0.8
361.21649	0.8
363.23108	1.9
364.23907	6.5
375.23163	1.0
385.21295	0.7
389.20813	0.9
399.26944	1.2
403.18195	1.3
403.26645	0.9
407.22000	0.7
409.25235	1.0
417.28052	6.3
419.29553	1.5
421.23730	0.7
427.26343	5.6
428.26907	0.6
435.25092	1.0
445.27466	8.5
446.28021	0.8
463.28403	100.0
464.28732	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.05500	11.5
57.07071	14.4
58.31409	2.7
63.05472	2.4
67.05505	10.4
69.07063	9.9
69.49844	13.7
71.08626	8.7
76.29037	2.1
79.05491	5.7
79.63757	2.2
81.07056	15.5
83.04974	5.9
83.08618	7.5
85.06548	3.8
85.10187	4.0
91.05474	7.3
93.07053	9.0
95.08617	24.2
97.06512	3.8
97.10172	5.7
98.22668	3.2
99.04468	3.3
105.07018	11.1
107.08585	9.1
109.06519	8.4
109.10166	4.6
111.04443	4.5
111.11683	3.7
111.32230	2.3
117.06987	3.9
119.08569	11.0
121.10191	4.6
123.08076	8.9
125.05970	6.7
127.07563	16.5
129.07018	3.8
130.21555	2.5
131.08565	7.6
133.10168	7.7
135.08081	4.5
135.11682	3.5
137.06000	4.6
139.07520	40.1
142.07802	5.5
143.08571	6.4
145.10112	8.1
147.11710	3.9
149.13173	2.4
151.07497	3.6
155.08530	11.9
157.10124	14.8
159.11667	5.0
167.07091	3.5
167.08585	4.1
169.10219	7.9
171.11691	5.9
173.09653	3.4
173.13206	2.7
177.09100	4.8
179.08577	5.6
180.09286	3.4
181.10152	7.8
183.11609	4.8
189.12646	2.5
193.10101	11.4
194.10976	3.6
195.11717	7.4
197.09544	2.5
197.13326	6.6
205.10158	3.5
206.10918	5.0
207.11736	18.2
208.12498	4.3
209.13277	10.4
210.65582	2.7
211.14838	3.6
219.11673	6.2
221.13280	14.6
223.14828	5.3
233.13434	2.5
235.14783	5.6
237.16377	3.2
247.14828	4.7
249.12604	2.6
249.16490	4.1
251.14371	3.6
263.17938	6.2
267.13858	7.3
269.15424	8.7
275.81647	2.4
277.15930	2.9
281.15393	3.7
285.18625	2.9
305.19019	4.3
309.18573	4.4
319.30020	3.6
323.19983	9.8
347.33176	7.5
403.26541	14.0
417.37280	7.3
419.29391	8.4
427.26419	4.3
445.27365	9.6
445.36725	24.1
463.28433	100.0
463.38095	10.6
464.28720	8.5
473.08344	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51796	1.7
53.03946	5.1
55.01864	4.1
55.05513	18.8
57.03442	2.6
57.07080	2.6
57.34647	1.9
65.03960	2.5
67.05502	24.7
69.03429	9.5
69.07065	10.3
69.09929	4.2
69.10326	15.3
71.05006	2.8
79.05492	20.5
80.80277	1.8
81.03423	4.7
81.07062	30.9
83.04982	22.4
83.08617	5.0
85.02898	2.5
85.06544	3.9
91.05474	30.2
93.07043	33.4
94.79621	1.7
95.04971	11.3
95.08609	36.2
97.06535	6.4
97.10180	2.4
99.04478	2.2
99.55409	1.8
105.04543	2.6
105.07033	37.2
107.04950	2.6
107.08601	23.5
109.02881	4.3
109.06544	12.6
109.10163	17.9
111.04452	9.9
111.08113	11.1
113.06005	3.3
117.07034	11.1
119.08577	37.9
120.08926	1.8
121.06503	8.8
121.10142	15.2
123.04398	3.0
123.08015	8.6
123.11709	4.9
124.79869	1.7
125.09659	2.3
126.96828	1.7
127.07540	3.5
128.06180	4.4
129.07013	12.3
131.08577	24.1
133.06490	4.8
133.10139	22.5
135.04419	2.1
135.08076	10.6
135.11716	5.6
137.06015	8.9
137.09612	3.8
139.07512	4.9
141.07014	5.8
142.07841	9.2
143.08562	21.1
144.09271	2.5
145.06473	4.0
145.10124	24.1
147.08038	13.6
147.11717	9.2
149.06000	3.1
149.09634	4.9
149.13266	3.4
151.11226	2.4
153.05539	3.9
153.06993	2.8
155.07281	3.4
155.08542	23.3
156.09303	8.1
157.10130	29.2
158.10750	4.0
159.08075	7.9
159.11707	19.5
161.09642	15.5
161.13301	2.9
163.07605	2.2
163.11191	5.7
165.06947	3.2
167.07188	4.1
167.08606	8.5
168.09343	5.0
169.10165	22.6
170.10875	5.5
171.06604	3.5
171.07990	3.0
171.11700	20.0
173.09625	9.1
173.13319	10.1
175.07570	3.1
175.11211	6.1
177.09071	2.7
178.07762	2.5
179.08534	9.0
179.10687	9.9
180.09326	4.8
181.10117	16.8
182.10896	6.7
183.08099	3.5
183.11693	20.1
184.08791	2.0
185.09612	8.4
185.13284	13.2
187.11174	8.5
187.14838	2.8
189.12772	3.0
191.08653	4.0
191.10605	3.5
192.09370	4.5
193.10141	13.6
194.10867	5.7
195.08107	3.3
195.11739	17.6
196.12363	3.3
197.09639	5.5
197.13246	16.3
198.13968	2.3
199.11201	10.6
199.14806	4.2
200.15295	2.3
201.12749	5.2
203.08595	4.1
203.10587	2.8
205.10139	7.5
205.12123	2.4
206.10837	6.4
207.08127	2.3
207.11703	18.0
208.12402	7.1
209.09714	3.5
209.13290	18.0
210.13872	3.9
211.11282	9.0
211.14772	10.3
212.11765	3.0
213.12724	8.5
213.16518	2.3
215.14406	4.1
217.10210	3.8
217.12289	6.4
219.11662	11.1
219.13837	8.7
220.12440	8.8
221.09738	2.7
221.13263	20.1
222.13904	3.9
223.11346	8.7
223.14838	13.8
224.15324	1.9
225.12766	9.9
225.16364	4.2
227.10789	3.8
227.14288	6.4
229.10205	1.9
229.12253	5.7
230.11163	2.3
231.11664	4.2
231.13780	3.7
232.12395	4.8
233.13377	10.6
233.15288	3.1
234.13979	5.8
235.11243	4.2
235.14922	11.0
237.12767	7.7
237.16440	6.8
239.14334	7.9
241.12253	3.2
243.11670	2.4
243.13857	6.3
245.13162	5.9
245.15417	5.3
246.14055	2.4
247.14844	14.4
248.15558	4.2
249.12769	3.6
249.16464	12.8
250.13693	2.6
250.16805	2.3
251.14334	8.8
251.17902	3.5
253.16008	3.8
255.13861	4.8
257.13110	2.5
257.15433	7.8
259.14801	4.6
260.15588	2.5
261.12729	2.8
261.16403	9.6
262.17136	2.5
263.14413	7.8
263.17899	9.3
265.12311	2.0
265.15967	6.8
265.19504	1.7
267.13809	3.6
267.17374	5.4
269.15421	6.2
271.17065	3.5
273.12595	2.0
273.16296	2.6
274.17227	2.0
275.14468	3.3
275.17911	4.8
277.15833	6.6
277.19635	2.2
279.14282	2.2
279.17456	10.8
281.15372	5.8
283.16946	4.4
285.16248	3.0
287.14377	3.1
287.17789	3.9
289.15988	3.7
289.19290	4.7
291.17532	4.4
291.20880	2.4
293.15314	4.8
293.18546	2.3
295.16925	6.6
297.18561	5.8
301.16037	2.0
303.17447	4.0
305.18976	6.3
307.16849	5.7
307.20544	8.0
308.21100	2.5
309.18628	5.1
309.22192	5.0
317.18964	3.2
319.16943	2.3
321.18478	5.6
323.20132	12.3
324.20578	2.9
325.21548	4.7
326.22247	2.3
329.15268	2.6
331.20667	4.6
335.20023	5.1
346.22757	2.4
347.20038	3.4
349.21661	7.7
351.23215	2.5
361.22122	2.4
363.23178	4.4
364.23917	7.6
385.21368	4.0
395.73022	1.9
399.26819	3.0
403.22333	5.1
403.26529	4.7
409.24957	2.1
417.27850	7.0
427.26614	15.3
445.27673	34.5
445.33423	4.2
446.27707	4.9
463.28745	100.0
464.29269	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.6
54.96480	1.5
55.01863	2.2
55.05508	16.2
57.03428	3.5
57.07074	1.7
59.26223	1.5
65.03938	2.4
67.05505	27.4
69.03447	3.4
69.07059	10.0
70.49365	1.5
71.30845	1.6
71.31226	2.0
79.05497	20.2
81.03415	4.1
81.07053	23.8
83.04986	32.0
83.08611	5.6
85.06520	3.0
91.05480	23.4
93.07044	29.6
95.04983	9.7
95.08610	29.0
97.06519	4.0
97.10136	3.3
103.05468	2.1
105.04543	1.8
105.06363	2.8
105.07029	27.0
105.07665	2.2
107.04959	3.7
107.08600	20.4
109.06513	7.1
109.10179	10.5
111.04449	17.4
111.08062	8.4
113.06029	2.1
115.05430	1.6
117.07011	10.7
119.08578	28.8
121.06510	6.6
121.10146	13.8
122.71841	1.7
123.04441	3.4
123.08059	9.1
123.11689	3.5
125.06037	2.9
127.03860	1.8
127.07561	2.4
128.06235	5.7
129.07005	7.1
131.08585	18.8
133.06508	3.8
133.10124	22.5
135.08060	5.4
135.11696	5.9
137.05957	4.2
137.09665	2.9
139.07550	6.1
141.06992	6.0
142.07785	8.9
143.08554	16.8
145.06487	4.4
145.10124	21.9
147.08070	8.9
147.11682	7.0
149.09622	4.2
151.07524	3.4
154.07751	2.5
155.08530	13.0
156.09317	6.9
157.06540	2.4
157.10129	30.6
159.08090	6.9
159.11714	15.4
161.09637	8.2
161.13210	1.9
161.85239	1.7
163.11218	8.2
165.06964	3.6
166.07677	1.9
167.07069	2.2
167.08580	5.6
168.09375	4.7
169.10129	16.7
170.10915	2.0
170.53072	1.8
171.08096	3.4
171.11694	19.2
172.12527	4.2
173.09641	7.8
173.13293	6.7
175.07660	2.1
175.11220	7.1
177.09077	3.8
178.07857	1.7
179.08577	11.4
179.10623	2.1
180.09354	4.3
181.10097	16.5
182.10904	3.6
183.11674	16.6
184.12341	2.2
185.09613	5.7
185.13283	15.1
187.11192	7.0
189.09102	2.6
189.12816	2.4
190.07761	1.7
191.08586	3.5
191.10663	6.6
192.09354	4.7
193.04982	1.7
193.10130	16.7
194.10895	5.0
195.08002	2.8
195.11679	20.2
196.12419	7.6
197.09648	4.4
197.13223	13.1
199.11217	6.2
199.14857	4.9
201.12779	6.3
203.10736	2.1
204.09213	2.7
205.10150	7.7
205.12158	2.2
206.10818	8.6
207.11688	27.2
208.12392	6.4
209.13264	16.5
210.13942	2.8
211.11365	2.2
211.14813	9.4
213.12720	3.9
215.10687	2.3
215.14378	2.4
217.10225	3.6
217.12248	6.1
218.10881	3.3
219.11684	9.8
219.13837	5.0
220.12453	7.0
221.09703	2.2
221.13234	24.0
222.13882	6.1
223.11288	3.9
223.14856	12.0
225.12791	8.2
225.16298	2.2
227.14415	3.4
229.15883	14.2
231.11658	4.3
231.13890	3.1
232.12466	3.6
233.13229	12.9
234.13991	6.1
235.11223	3.8
235.14793	26.0
236.15594	4.0
237.12753	5.5
237.16293	10.5
239.14359	2.2
241.12442	2.2
243.13876	2.3
245.13249	7.0
245.15378	3.8
246.13943	4.1
247.11176	3.2
247.14905	12.7
248.15550	4.8
249.12714	4.6
249.16402	11.2
250.17097	2.1
251.14293	5.8
251.17958	4.6
253.15968	2.5
257.13138	3.1
257.15488	3.9
258.13757	1.9
259.14801	4.9
261.12616	2.0
261.16513	10.4
262.17075	3.0
263.14557	8.9
263.17838	11.5
264.18561	2.3
265.15839	5.9
267.13818	4.4
267.17517	2.7
269.15399	4.6
271.16898	5.2
273.18735	2.5
275.14359	3.2
275.17899	5.7
276.15305	1.9
276.18689	2.0
277.15912	6.3
277.19540	4.5
279.13901	3.7
279.17453	5.5
280.14484	2.4
281.15372	6.0
283.17111	3.5
286.17273	2.6
287.14197	2.4
287.17813	4.1
289.15787	7.0
289.19415	4.9
291.17441	3.7
291.21014	4.0
293.15384	6.0
295.16873	7.7
297.18515	3.9
301.15872	3.0
303.17474	5.2
303.21048	2.4
303.45331	1.9
305.15509	2.9
305.19012	7.1
305.22485	4.1
307.16949	3.6
307.20514	4.4
308.17572	2.8
309.18518	5.1
315.17264	2.4
317.19028	2.2
319.16876	2.6
321.18561	14.6
323.20065	23.9
324.20663	4.6
325.21640	9.1
331.20444	5.0
335.19897	3.3
336.20648	3.8
347.20023	2.9
349.21613	10.3
351.23309	2.8
353.24783	2.4
361.21811	2.3
363.23145	4.2
364.23895	23.7
375.23242	3.3
385.21652	3.7
389.24753	2.4
399.27057	4.3
409.25635	2.6
417.23041	2.8
417.28439	13.1
418.28119	2.3
427.26547	11.0
435.25281	3.4
445.27817	24.9
446.27798	2.6
463.28772	100.0
464.29196	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2845
Annotation	Cochloxanthin
Peak:m/z	Relative Intensity
53.03947	2.4
55.01868	1.5
55.05504	8.1
57.03441	1.3
65.03941	1.2
67.05506	12.9
69.03430	1.6
69.07066	4.4
69.18493	0.9
69.19373	6.8
71.04974	1.9
79.05499	8.3
81.03421	1.9
81.07054	11.0
83.04986	12.2
83.08633	2.6
85.06550	1.8
90.48772	1.1
91.05479	13.6
93.07046	14.2
93.71059	0.9
94.07396	1.6
95.04984	4.6
95.08601	18.8
96.08964	1.6
97.06546	3.5
97.10207	1.2
98.22664	1.4
99.04481	1.3
105.07034	18.0
106.07394	1.6
107.05000	1.2
107.08588	10.6
109.02871	1.1
109.06549	2.6
109.10165	4.4
111.04446	6.3
111.08094	3.1
115.05486	2.9
117.07024	5.6
119.08585	15.5
121.06512	4.7
121.10137	6.2
123.08090	3.8
123.11738	2.0
128.06238	3.5
129.07043	4.4
130.07867	1.7
131.08551	10.3
133.06519	1.3
133.10127	11.8
133.11037	1.0
134.10484	1.2
135.08107	3.8
135.11681	2.4
137.06010	1.7
137.09630	1.2
139.07576	1.9
141.07001	3.8
142.07791	4.0
143.08577	10.4
144.09334	1.5
145.06462	2.5
145.10144	13.3
147.08061	3.5
147.11722	4.5
149.09711	1.9
149.13292	1.1
153.07069	1.9
154.07800	1.1
155.08568	9.7
156.09273	4.4
157.10130	16.6
158.10558	1.5
159.08112	3.1
159.11700	8.2
161.05901	1.0
161.09604	7.9
161.13394	1.4
163.07625	1.8
163.11200	2.4
165.07082	3.2
167.08583	4.1
168.09303	2.8
169.10143	11.6
170.10696	3.3
171.08122	2.7
171.11690	9.4
171.12955	1.2
172.12140	1.8
173.09679	3.0
173.13327	3.5
175.07578	1.1
175.11211	2.9
176.95215	0.9
177.09233	1.1
177.12892	1.2
178.07761	1.8
179.08607	6.2
179.10760	1.2
180.09351	1.9
181.10139	8.4
182.10870	4.0
183.08037	1.4
183.11723	9.6
184.12234	1.1
185.09666	3.3
185.13306	4.2
187.11241	3.7
187.14952	1.4
189.09373	1.1
189.12753	2.2
191.08644	1.2
192.09291	3.4
193.10143	10.2
193.11893	1.6
194.10913	4.4
195.08072	1.3
195.11719	11.5
196.12381	3.1
197.09680	3.8
197.13306	7.5
198.13881	1.2
199.07671	1.0
199.11246	4.2
199.14873	3.3
201.09212	1.6
201.12842	4.1
203.10796	2.3
205.10165	4.2
205.12166	1.9
206.10892	6.3
207.11694	15.7
208.08995	1.1
208.12334	5.4
209.13359	11.3
210.13785	2.3
211.11162	4.1
211.14906	5.6
213.12798	3.0
215.10800	2.1
215.14441	1.8
217.10231	1.5
217.12245	2.2
217.45171	1.0
219.11703	6.2
219.13863	2.2
220.12253	5.5
221.09715	2.0
221.13266	17.1
222.13725	3.7
223.11267	2.8
223.14819	8.2
224.11719	1.1
225.09184	1.7
225.12862	3.8
225.16286	1.2
226.09641	1.0
227.10712	3.5
227.14421	3.5
229.15973	1.7
231.11813	2.7
232.12274	2.3
233.09697	1.2
233.13203	5.4
234.13922	4.1
235.11278	2.4
235.14833	6.2
236.12033	1.3
236.15471	1.6
237.12816	3.9
237.16414	2.9
238.13213	1.5
239.14449	2.8
241.12352	3.2
243.13908	2.5
244.12456	1.2
245.13284	3.7
245.15488	1.4
246.14099	2.4
247.11259	1.1
247.14873	6.7
248.15540	3.3
249.12799	3.7
249.16328	5.7
250.13258	1.8
251.14394	2.7
251.18066	1.8
253.12280	2.0
253.15886	1.9
255.13898	2.4
255.17502	2.1
257.15479	2.1
259.14880	3.1
260.15240	1.4
261.12759	1.8
261.16403	5.4
262.13242	1.2
262.16928	2.8
263.14340	4.0
263.17816	6.6
265.12384	1.8
265.15970	3.6
265.19403	1.5
267.13834	5.0
267.17520	1.2
269.15411	4.8
271.17041	2.0
272.14911	1.1
273.16318	2.2
274.13098	1.2
274.17029	1.1
275.14304	2.8
275.18005	2.8
277.12964	1.1
277.15860	4.2
277.19409	3.8
279.13953	2.3
279.17484	2.3
280.14725	1.4
281.15414	3.4
281.19034	2.9
283.17181	2.4
287.17935	1.3
289.15790	2.4
289.19522	1.8
291.17499	2.7
291.20831	1.2
293.15485	1.2
295.16907	3.6
297.18616	3.1
301.16003	1.5
303.17444	2.9
304.18042	1.4
305.15417	2.2
305.19016	4.6
305.22397	1.5
307.16989	2.6
307.20551	2.7
309.18500	3.4
313.15814	1.0
315.17401	1.2
319.16962	1.5
321.18726	2.2
321.22171	1.6
322.19223	2.2
323.19910	10.8
324.20758	2.4
325.21576	2.4
331.20435	2.1
333.18622	1.5
335.19986	1.2
337.21689	1.9
347.23761	1.3
349.21652	2.8
361.18088	2.9
363.23267	1.5
364.24258	3.0
365.24954	1.4
375.23376	1.1
385.21576	2.7
389.25085	1.6
399.27029	1.8
403.22098	1.7
403.26553	3.3
417.28320	7.3
419.29135	4.2
421.23834	2.3
427.26712	7.0
445.27509	23.9
446.28461	2.0
463.28305	100.0
464.28796	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01868	1.5
55.05504	8.1
57.03441	1.3
65.03941	1.2
67.05506	12.9
69.03430	1.6
69.07066	4.4
69.18493	0.9
69.19373	6.8
71.04974	1.9
79.05499	8.3
81.03421	1.9
81.07054	11.0
83.04986	12.2
83.08633	2.6
85.06550	1.8
90.48772	1.1
91.05479	13.6
93.07046	14.2
93.71059	0.9
94.07396	1.6
95.04984	4.6
95.08601	18.8
96.08964	1.6
97.06546	3.5
97.10207	1.2
98.22664	1.4
99.04481	1.3
105.07034	18.0
106.07394	1.6
107.05000	1.2
107.08588	10.6
109.02871	1.1
109.06549	2.6
109.10165	4.4
111.04446	6.3
111.08094	3.1
115.05486	2.9
117.07024	5.6
119.08585	15.5
121.06512	4.7
121.10137	6.2
123.08090	3.8
123.11738	2.0
128.06238	3.5
129.07043	4.4
130.07867	1.7
131.08551	10.3
133.06519	1.3
133.10127	11.8
133.11037	1.0
134.10484	1.2
135.08107	3.8
135.11681	2.4
137.06010	1.7
137.09630	1.2
139.07576	1.9
141.07001	3.8
142.07791	4.0
143.08577	10.4
144.09334	1.5
145.06462	2.5
145.10144	13.3
147.08061	3.5
147.11722	4.5
149.09711	1.9
149.13292	1.1
153.07069	1.9
154.07800	1.1
155.08568	9.7
156.09273	4.4
157.10130	16.6
158.10558	1.5
159.08112	3.1
159.11700	8.2
161.05901	1.0
161.09604	7.9
161.13394	1.4
163.07625	1.8
163.11200	2.4
165.07082	3.2
167.08583	4.1
168.09303	2.8
169.10143	11.6
170.10696	3.3
171.08122	2.7
171.11690	9.4
171.12955	1.2
172.12140	1.8
173.09679	3.0
173.13327	3.5
175.07578	1.1
175.11211	2.9
176.95215	0.9
177.09233	1.1
177.12892	1.2
178.07761	1.8
179.08607	6.2
179.10760	1.2
180.09351	1.9
181.10139	8.4
182.10870	4.0
183.08037	1.4
183.11723	9.6
184.12234	1.1
185.09666	3.3
185.13306	4.2
187.11241	3.7
187.14952	1.4
189.09373	1.1
189.12753	2.2
191.08644	1.2
192.09291	3.4
193.10143	10.2
193.11893	1.6
194.10913	4.4
195.08072	1.3
195.11719	11.5
196.12381	3.1
197.09680	3.8
197.13306	7.5
198.13881	1.2
199.07671	1.0
199.11246	4.2
199.14873	3.3
201.09212	1.6
201.12842	4.1
203.10796	2.3
205.10165	4.2
205.12166	1.9
206.10892	6.3
207.11694	15.7
208.08995	1.1
208.12334	5.4
209.13359	11.3
210.13785	2.3
211.11162	4.1
211.14906	5.6
213.12798	3.0
215.10800	2.1
215.14441	1.8
217.10231	1.5
217.12245	2.2
217.45171	1.0
219.11703	6.2
219.13863	2.2
220.12253	5.5
221.09715	2.0
221.13266	17.1
222.13725	3.7
223.11267	2.8
223.14819	8.2
224.11719	1.1
225.09184	1.7
225.12862	3.8
225.16286	1.2
226.09641	1.0
227.10712	3.5
227.14421	3.5
229.15973	1.7
231.11813	2.7
232.12274	2.3
233.09697	1.2
233.13203	5.4
234.13922	4.1
235.11278	2.4
235.14833	6.2
236.12033	1.3
236.15471	1.6
237.12816	3.9
237.16414	2.9
238.13213	1.5
239.14449	2.8
241.12352	3.2
243.13908	2.5
244.12456	1.2
245.13284	3.7
245.15488	1.4
246.14099	2.4
247.11259	1.1
247.14873	6.7
248.15540	3.3
249.12799	3.7
249.16328	5.7
250.13258	1.8
251.14394	2.7
251.18066	1.8
253.12280	2.0
253.15886	1.9
255.13898	2.4
255.17502	2.1
257.15479	2.1
259.14880	3.1
260.15240	1.4
261.12759	1.8
261.16403	5.4
262.13242	1.2
262.16928	2.8
263.14340	4.0
263.17816	6.6
265.12384	1.8
265.15970	3.6
265.19403	1.5
267.13834	5.0
267.17520	1.2
269.15411	4.8
271.17041	2.0
272.14911	1.1
273.16318	2.2
274.13098	1.2
274.17029	1.1
275.14304	2.8
275.18005	2.8
277.12964	1.1
277.15860	4.2
277.19409	3.8
279.13953	2.3
279.17484	2.3
280.14725	1.4
281.15414	3.4
281.19034	2.9
283.17181	2.4
287.17935	1.3
289.15790	2.4
289.19522	1.8
291.17499	2.7
291.20831	1.2
293.15485	1.2
295.16907	3.6
297.18616	3.1
301.16003	1.5
303.17444	2.9
304.18042	1.4
305.15417	2.2
305.19016	4.6
305.22397	1.5
307.16989	2.6
307.20551	2.7
309.18500	3.4
313.15814	1.0
315.17401	1.2
319.16962	1.5
321.18726	2.2
321.22171	1.6
322.19223	2.2
323.19910	10.8
324.20758	2.4
325.21576	2.4
331.20435	2.1
333.18622	1.5
335.19986	1.2
337.21689	1.9
347.23761	1.3
349.21652	2.8
361.18088	2.9
363.23267	1.5
364.24258	3.0
365.24954	1.4
375.23376	1.1
385.21576	2.7
389.25085	1.6
399.27029	1.8
403.22098	1.7
403.26553	3.3
417.28320	7.3
419.29135	4.2
421.23834	2.3
427.26712	7.0
445.27509	23.9
446.28461	2.0
463.28305	100.0
464.28796	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
54.47428	0.3
55.01852	0.4
55.05509	2.0
57.03419	0.3
64.68007	0.3
65.03941	0.4
67.05504	6.8
69.03426	1.3
69.07076	1.6
71.04967	0.3
71.30806	0.3
79.05489	2.4
81.03417	0.7
81.07059	6.4
83.04969	1.2
83.08604	0.4
85.06550	1.0
91.05455	2.5
93.07052	3.0
95.04957	1.4
95.08604	14.0
96.08906	0.3
97.06511	0.7
97.10146	0.3
99.07475	0.4
99.08091	5.5
103.05443	0.4
105.07030	3.4
107.04948	0.6
107.08588	1.7
108.05729	0.8
109.06522	1.1
109.10151	1.6
109.59725	0.2
111.04433	0.6
111.08100	0.3
113.09628	0.4
115.05462	0.4
117.06977	0.5
119.04939	0.3
119.08557	1.7
121.06490	1.1
121.10123	0.9
123.04395	0.6
123.07162	0.6
123.08066	11.8
123.11703	5.3
125.05983	0.6
125.09654	0.9
128.06157	0.4
129.06998	0.6
131.08563	1.0
133.06462	0.4
133.10139	1.5
135.08046	1.2
135.11671	0.6
137.05965	1.5
137.13220	0.3
141.06953	0.4
141.09117	1.2
143.07100	0.2
143.08598	0.9
145.10129	1.0
147.07996	0.3
147.11664	0.5
149.09608	0.5
149.13258	1.1
151.07535	100.0
152.07878	3.3
153.05458	0.4
155.08493	0.9
157.10107	0.7
159.08084	0.6
159.10185	1.5
159.11577	0.4
161.09618	2.0
161.13258	0.4
163.07579	0.3
163.11162	0.4
165.09134	0.7
167.07048	0.9
167.08505	0.6
169.10138	0.8
171.08037	0.4
171.11725	0.5
173.09637	0.6
173.13237	0.5
175.11172	2.6
177.09105	1.4
177.16405	0.3
178.07832	0.3
178.09447	0.4
179.07001	0.3
180.09132	0.3
181.10080	0.6
183.11694	0.4
185.09592	0.4
187.11211	0.7
189.09013	0.4
189.12723	1.9
191.10661	4.3
192.09346	0.5
192.10986	0.3
193.10094	0.4
195.11734	0.6
199.11201	0.8
203.10706	0.7
204.09258	0.3
205.10246	0.5
205.12177	2.7
206.10866	0.4
206.12627	0.4
207.11696	0.9
208.12419	0.3
209.11649	0.3
209.13370	0.4
211.14789	0.6
213.12718	0.3
217.12239	0.5
219.11819	0.3
219.13753	0.9
221.09602	0.5
221.13257	0.6
223.11079	0.4
223.14809	0.3
225.12889	0.3
230.92247	0.3
241.12492	0.3
251.10745	0.3
251.14102	0.4
257.17563	0.3
261.12619	0.4
267.13733	0.7
279.23145	0.6
311.20236	0.3
325.23901	0.5
333.18430	0.4
351.12396	0.3
353.21191	0.4
381.27859	0.8
399.29004	1.9
427.28226	0.4
445.24115	0.9
445.30038	1.4
446.16556	0.4
463.17566	1.2
463.28876	4.3
464.28464	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3415
Annotation	Stoloniferone F
Peak:m/z	Relative Intensity
53.00298	0.5
55.05511	13.9
57.07076	4.7
60.23224	0.5
65.03929	0.6
65.68936	0.5
67.05489	2.1
69.01593	4.9
69.07067	20.9
71.08627	1.8
76.49187	0.5
79.05486	1.2
81.07050	3.0
83.01359	0.8
83.04979	2.0
83.08618	8.2
85.10173	0.7
91.05467	1.9
93.07036	2.2
95.01321	1.5
95.04943	0.5
95.08597	2.0
97.06517	0.8
97.10162	3.6
99.00813	8.5
99.04440	2.7
105.07027	1.9
107.08584	1.4
109.02900	0.8
109.06526	0.6
109.10168	0.9
111.04438	0.6
111.08129	0.6
111.11723	0.7
113.02369	2.4
113.06003	0.6
117.01878	0.9
117.07026	0.7
119.08591	1.9
121.10122	0.6
123.04414	0.6
125.05968	1.0
131.08545	1.1
133.06531	0.6
133.10139	1.4
135.04402	1.3
135.08070	1.7
135.11694	0.5
137.05977	1.7
139.07516	1.1
143.08571	1.7
145.10117	1.4
149.05995	1.6
149.09622	1.1
151.07506	0.9
153.05475	2.4
155.08540	2.3
157.10126	1.6
159.11671	0.6
161.05879	1.0
161.09520	0.6
161.13268	0.7
163.03973	0.6
163.07552	2.0
163.11209	0.8
169.10150	0.9
173.09665	0.7
175.07594	1.9
177.05475	2.2
177.09114	2.0
181.04945	15.1
181.06433	0.9
181.10153	0.7
182.05382	0.6
183.06499	3.4
183.11639	0.9
185.09598	0.6
187.11119	0.7
189.09087	6.1
191.07089	1.2
191.10695	1.6
193.10117	0.7
195.06528	30.5
195.11603	0.9
196.06932	1.1
203.10695	1.5
205.08656	0.8
207.06526	1.6
207.11711	1.5
209.08076	17.2
209.13208	1.0
210.08434	0.8
221.08008	1.0
221.13271	1.1
223.09613	16.4
224.09891	0.8
235.09660	1.9
235.14738	0.8
237.08881	0.5
237.11169	15.2
238.11578	1.0
249.11134	5.6
251.12743	7.9
263.12784	2.4
263.18097	0.6
265.14203	3.1
277.14212	0.8
279.15967	1.5
291.15881	1.2
293.17493	2.4
305.17648	0.9
307.19092	3.5
319.18912	3.1
321.20813	0.8
323.20087	1.0
333.20639	0.8
363.25259	1.5
377.27002	0.8
389.26553	0.9
417.27881	0.9
445.33105	100.0
446.33490	9.5
463.28162	8.7
463.34158	38.9
464.28946	0.9
464.34500	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.01850	1.3
55.05512	14.8
57.07071	5.4
62.87586	0.7
63.02874	0.6
67.05505	4.2
69.07068	25.4
69.21900	5.4
70.07404	0.6
71.04964	0.9
71.08645	1.4
77.03930	0.9
79.04062	0.7
79.05492	3.2
81.07040	5.0
83.01297	0.6
83.04982	3.6
83.08617	9.0
85.06525	0.9
91.05470	4.0
91.66730	0.6
93.07040	4.5
95.01317	1.2
95.04977	2.0
95.08602	5.0
97.06538	0.7
97.10172	3.2
99.00813	9.4
99.04449	2.6
105.03390	11.2
105.04485	1.1
105.07037	4.5
106.03711	4.2
107.08591	3.5
109.02868	1.2
109.06520	1.5
109.10190	1.5
111.04437	1.3
111.08093	1.7
111.11719	0.9
113.02348	1.6
117.01880	1.2
117.07001	1.7
119.08567	3.9
121.06528	1.8
121.10143	1.8
123.04413	0.9
123.08035	2.0
123.11670	0.7
125.05962	1.8
128.06241	0.8
129.07018	1.0
131.08553	2.2
133.10118	3.0
135.04398	1.1
135.08037	2.4
135.11690	0.6
137.05978	1.5
139.07541	1.1
142.07794	1.4
143.08543	2.3
145.10112	2.9
147.11685	0.9
149.05948	1.5
149.13217	0.7
153.05495	3.6
155.07133	0.6
155.08545	2.2
157.10123	2.1
159.11711	1.8
161.05981	0.8
161.09669	0.9
163.03909	1.8
163.07515	3.2
163.11176	0.8
165.06938	0.9
167.07091	0.7
167.08629	0.8
168.09314	0.9
169.10110	1.4
171.08046	0.8
171.11719	2.2
173.09657	0.7
175.07553	2.5
175.11110	0.7
177.05482	1.9
177.09125	1.7
179.08540	1.7
181.04958	15.3
181.06473	1.2
181.10146	1.7
182.05415	0.7
183.06499	3.6
183.11693	1.7
185.13351	0.8
187.11151	0.9
189.09093	5.5
191.06992	1.7
191.10628	0.9
192.09334	0.8
193.10127	2.8
195.06520	40.4
195.11699	2.4
196.06982	1.0
197.13239	1.5
199.11140	0.7
201.12744	0.7
203.10602	1.4
205.08553	1.6
205.10255	0.8
206.10881	1.1
207.06558	1.7
207.11667	4.4
208.12415	0.6
209.08075	19.7
209.10036	1.0
209.13216	2.3
211.11121	1.0
219.11856	1.4
220.12190	1.1
221.13254	3.4
222.13834	0.7
223.09633	22.6
223.14801	1.6
224.09996	1.0
233.13396	1.4
234.13875	0.7
235.09651	2.0
235.14810	2.2
237.11188	19.3
238.11572	0.8
241.12294	0.9
247.14822	1.1
249.11105	5.7
249.16451	1.6
251.12730	10.2
253.12238	0.8
257.57068	0.7
263.12769	2.6
263.17975	1.3
265.14294	5.2
269.15454	1.2
271.17142	0.7
277.19489	0.8
279.16083	2.2
291.16043	0.8
293.17542	2.7
297.18591	0.9
305.18643	0.8
307.19040	3.6
309.07559	1.9
318.23721	0.7
319.19144	2.6
323.19995	3.8
325.21585	0.9
335.22150	0.7
361.23492	0.9
364.24316	0.8
377.27005	1.4
389.27097	0.9
403.26083	1.4
417.27997	0.7
427.26468	0.9
433.12216	2.3
433.48230	0.8
445.33087	100.0
446.33365	10.0
463.28049	15.2
463.34146	59.3
463.38998	1.0
463.41232	1.2
464.28854	1.9
464.34552	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3417
Annotation	Stoloniferone F
Peak:m/z	Relative Intensity
52.51683	0.7
53.03941	1.7
55.05513	9.9
57.03436	0.9
57.07078	7.1
65.03946	1.6
67.01862	1.6
67.05176	1.2
67.05508	16.9
69.03389	0.7
69.07070	15.7
71.08638	1.9
79.05499	6.1
81.07062	34.4
82.07360	0.7
83.04991	3.7
83.08627	7.1
85.02949	0.7
85.06545	13.7
85.10175	1.2
85.31123	0.8
91.05475	4.7
93.07036	10.6
95.04956	1.9
95.08607	28.3
97.10181	4.2
98.22539	1.6
99.08089	1.0
105.04480	0.8
105.07008	3.3
107.08588	3.7
109.06523	2.7
109.10150	14.2
111.04430	1.7
111.08064	1.4
111.11719	2.9
117.07021	1.1
119.08580	2.9
121.06490	2.3
121.10145	2.6
122.10464	0.7
122.26467	0.7
123.08050	2.2
123.11720	9.1
125.05979	1.3
128.06293	0.8
129.07037	1.6
130.07889	0.8
131.08549	2.7
133.06450	1.0
133.10094	2.2
135.08026	1.8
135.11664	1.7
137.05980	9.0
137.09647	0.9
137.13214	4.2
139.03896	0.8
139.07552	6.4
141.05463	3.6
143.08553	2.7
145.10112	1.4
147.08041	2.4
147.11725	0.9
149.06001	3.9
149.13326	1.5
151.07533	16.0
151.14810	2.3
153.05438	0.9
155.08537	6.4
157.10129	3.1
159.08051	2.1
159.11688	2.2
161.06032	1.5
161.09659	1.9
161.13309	1.0
163.07495	1.6
163.14868	0.9
165.05504	11.4
165.06885	1.4
165.09157	4.4
165.16370	0.9
166.06271	1.0
167.07043	100.0
168.07326	3.5
169.10106	1.8
171.11780	1.1
172.08810	0.8
173.09689	1.5
175.07527	2.2
175.11186	1.3
177.09123	3.1
177.16487	0.8
178.06310	0.8
179.07031	1.3
179.10690	1.2
179.17908	0.9
181.08611	1.7
181.10065	0.8
183.11650	1.4
185.13361	1.0
187.11183	1.9
188.08334	1.2
189.09096	4.7
189.12747	1.5
191.06993	2.8
191.10638	2.0
192.09344	0.7
193.08603	3.0
193.10208	1.6
195.11668	0.9
197.09679	1.1
197.13293	1.0
201.09158	0.8
203.10701	2.9
205.08565	5.3
205.12270	2.3
207.10187	5.4
207.11716	1.5
209.13426	1.1
215.10637	2.0
217.12256	1.7
219.10045	1.4
219.11906	1.1
220.12578	0.7
221.11548	1.6
221.13422	1.6
223.14879	1.0
228.87596	0.9
233.11639	1.6
257.15356	1.7
261.16547	1.1
261.25937	0.7
269.15366	1.2
285.18472	0.8
293.64081	0.8
323.20029	1.3
415.31955	4.4
427.26736	1.3
427.31934	6.6
428.32220	1.0
445.27365	1.4
445.33130	7.5
446.33621	1.3
463.28415	15.5
464.28662	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.05278	0.7
55.05512	10.8
57.03439	1.1
57.07079	5.5
63.75389	0.7
65.40808	0.7
67.01859	1.0
67.05505	17.0
69.03420	0.9
69.07067	16.0
69.24905	3.3
69.25332	2.2
71.08611	1.2
79.05488	6.2
80.15976	0.6
81.07057	36.3
82.07393	0.9
82.73495	0.6
83.04990	4.0
83.08614	6.2
85.02880	0.8
85.06544	13.9
91.05470	6.2
93.07047	11.9
95.04971	2.0
95.08607	29.9
96.08900	1.0
97.10183	4.6
99.08088	0.7
105.07010	6.6
107.08609	5.9
109.06518	3.7
109.10146	15.6
111.04436	1.9
111.08054	2.1
111.11703	2.3
117.06979	1.6
119.08590	5.5
121.06494	2.5
121.10163	3.3
123.08076	3.4
123.11697	9.3
128.06209	1.2
129.06993	2.4
131.08603	4.5
133.06447	1.2
133.10120	3.9
135.07988	1.6
135.11674	2.2
137.05978	7.4
137.13263	5.6
138.06729	0.9
139.07544	4.6
141.05463	2.1
141.07043	1.4
142.07782	1.3
143.08578	3.5
145.10173	3.8
147.08057	2.7
147.11691	1.4
149.05995	5.1
149.09645	0.9
149.13266	1.9
151.07539	15.9
151.14780	1.1
152.05109	0.7
155.08563	4.5
156.09244	0.7
157.10144	6.1
159.08067	2.1
159.11678	3.2
161.05952	2.4
161.09647	1.9
163.07547	2.0
163.11098	0.9
163.14771	0.8
165.05495	11.3
165.06871	1.5
165.09106	5.7
165.16411	1.1
166.06259	0.7
167.07037	100.0
168.07408	1.9
169.10095	4.4
171.11696	3.0
173.09673	1.5
173.13177	1.5
173.33636	0.7
175.07567	2.8
175.11147	2.0
177.09138	1.8
178.07785	0.9
179.06999	2.4
179.08589	2.2
179.10681	1.6
181.08578	2.0
181.10143	2.6
182.10730	0.8
183.11656	2.1
185.09605	1.0
185.13254	1.3
187.11142	1.7
187.14915	0.8
188.08286	1.1
189.09093	5.7
189.12787	1.2
191.07005	3.7
191.08604	1.2
191.10667	1.3
192.07776	0.9
192.09373	0.7
193.08609	4.2
193.10168	2.7
195.10080	0.8
195.11690	2.8
197.09515	0.9
197.13263	2.0
199.11243	0.7
199.14830	1.0
201.12794	0.9
203.10620	3.8
205.08633	5.6
205.10306	1.0
205.12225	1.7
206.09225	0.7
206.10995	1.3
207.10008	6.0
207.11818	5.8
208.12509	0.9
209.13213	3.8
211.14888	1.1
215.10757	2.1
217.12325	2.2
219.10196	2.2
219.11961	1.1
220.12367	1.1
221.11476	1.2
221.13501	4.6
222.13936	0.9
223.14888	1.4
229.12413	0.9
231.13892	0.8
233.11621	1.8
233.13554	1.1
234.14084	0.9
235.11095	0.9
235.14896	1.6
237.16484	1.1
241.12135	0.9
249.12683	0.8
249.16359	1.1
251.14412	1.3
251.17885	0.8
253.12318	1.0
262.16852	0.7
263.14249	0.8
263.18091	2.0
265.15820	1.1
267.13849	2.2
269.15414	1.6
279.26761	0.9
281.15335	0.8
282.81732	0.8
283.16904	0.9
295.17014	0.8
305.18832	1.1
307.17169	0.8
321.18774	0.8
323.19958	5.6
324.20575	1.2
349.21579	1.3
363.23096	1.0
364.24039	1.5
399.32791	0.9
403.26431	2.1
415.32104	3.4
417.28085	1.0
427.26694	1.0
427.31976	7.1
428.32584	1.2
445.27359	2.2
445.32977	10.5
446.33728	1.7
463.28470	28.9
464.29028	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.3
53.03946	2.8
55.01861	2.0
55.05509	15.6
57.07075	9.0
58.41668	1.2
65.03915	1.3
65.22730	1.4
67.05506	28.8
69.03436	2.3
69.07074	19.5
71.04991	2.6
71.08640	2.0
71.31480	2.2
79.05489	10.3
81.07057	40.6
83.04984	7.3
83.08610	9.6
84.01352	1.6
85.06545	40.5
89.46114	1.5
91.05478	11.4
93.07044	21.4
95.04956	5.8
95.08608	35.7
96.93849	1.3
97.06516	1.5
97.10168	6.2
99.04560	1.2
99.08059	1.8
105.03407	17.9
105.04499	3.1
105.07037	10.3
107.08595	14.0
109.06529	5.5
109.10155	18.6
111.04431	3.9
111.08064	4.4
111.11710	1.9
117.07015	3.3
119.04922	1.5
119.08566	8.6
121.06515	2.9
121.10165	3.5
123.08076	4.3
123.11711	8.7
125.09659	1.5
128.06233	2.3
129.07024	3.9
131.08554	7.4
133.10152	6.7
135.08092	4.5
135.11687	5.0
137.05971	10.1
137.09610	2.1
137.13251	4.9
139.03917	3.8
139.07542	4.9
141.05492	3.1
141.06970	2.8
142.07770	4.0
143.08562	7.0
144.09270	2.1
145.06554	1.6
145.10127	6.5
147.08051	4.2
147.11676	2.7
149.05992	5.1
149.13283	3.3
151.07520	12.5
151.14809	1.4
155.08559	8.9
156.09225	2.4
157.10124	14.5
159.08031	2.5
159.11690	6.2
161.05937	2.4
161.09628	4.4
163.07545	1.9
163.11087	1.7
165.05563	10.3
165.06898	2.5
165.09125	4.4
166.06200	2.9
167.07045	100.0
167.08380	4.2
168.07327	3.4
168.09415	1.4
169.10104	7.4
170.10817	1.4
171.11662	3.9
173.09708	1.8
175.07584	3.0
177.09111	2.1
177.12794	1.8
178.07732	1.7
179.07085	3.0
179.08578	4.7
179.10715	2.7
181.08682	2.8
181.10150	8.1
182.10950	2.1
183.11673	5.3
187.11246	2.3
189.09073	7.2
192.09406	3.5
192.29425	2.0
193.08557	3.5
193.10165	9.3
193.11662	1.6
194.10887	3.0
195.08069	1.9
195.11661	7.7
197.09657	1.8
197.13235	3.8
199.14967	1.5
201.09106	1.6
203.10670	1.9
205.08537	4.0
205.10318	1.7
205.12292	2.9
206.10872	2.5
207.10072	6.2
207.11740	11.7
208.12366	3.1
209.09769	1.7
209.13316	11.9
210.14001	2.5
215.10681	2.4
217.12236	1.9
219.11787	2.6
221.13361	10.2
223.11319	1.6
223.14844	7.5
227.10645	1.8
232.12523	1.7
233.13368	2.4
235.14832	6.6
237.16440	2.6
241.12299	1.7
249.12791	2.4
249.16547	1.8
251.14256	2.7
261.16510	2.2
263.14310	2.4
263.17889	5.7
266.05713	8.4
267.13770	4.8
269.15442	6.0
271.16745	2.5
277.19562	1.7
279.20969	1.8
281.08142	6.2
283.16995	1.5
287.17929	1.7
289.15878	2.1
289.19415	1.6
295.17151	2.7
297.18793	1.9
305.18881	3.7
309.07602	7.3
323.20087	9.9
331.20584	1.8
341.10208	5.5
403.26379	14.9
417.27817	2.4
419.29431	5.4
427.26645	2.1
427.31985	7.3
445.27322	9.8
445.33118	13.6
446.33670	2.6
447.58469	1.8
460.81607	1.8
463.28339	50.4
464.28635	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18071	2.3
55.01864	2.6
55.05510	21.2
57.07079	13.4
63.71607	2.0
67.05512	15.8
69.05187	16.0
69.05609	6.3
69.07063	38.0
71.08627	6.7
77.58165	1.9
79.05473	6.6
81.07051	22.1
83.04968	7.2
83.08614	22.9
85.06525	2.8
85.10154	5.8
91.05487	10.9
93.07037	11.5
95.04951	4.7
95.08603	27.6
97.10164	12.3
98.23124	10.7
99.04436	10.1
105.07014	9.6
107.08601	12.2
107.09195	2.5
109.06491	4.8
109.10151	7.6
111.04457	6.4
111.11715	7.7
113.87602	2.0
117.07008	3.6
119.08581	10.6
121.10115	6.3
123.08039	6.3
123.11714	4.8
125.13245	3.8
127.03947	3.4
128.06223	2.8
129.07005	5.8
131.08545	5.5
133.10126	9.0
135.08023	3.0
135.11647	3.6
137.05959	6.8
139.03874	30.4
141.05411	3.1
141.06941	2.7
142.07771	6.0
142.61792	2.0
143.08549	12.3
145.10081	8.7
147.11772	3.1
149.09636	2.6
149.13321	2.6
151.07523	5.6
153.05476	20.3
153.06650	3.4
153.24710	2.2
155.08527	13.5
156.09248	3.5
157.10100	13.2
159.11670	7.7
161.09624	2.5
161.13203	3.0
166.06216	2.7
167.07025	6.1
167.08414	2.7
169.10065	7.4
171.11673	9.7
173.13136	2.7
175.11063	2.9
177.09042	3.4
179.08597	7.3
179.10649	3.6
180.09325	3.5
181.03537	3.2
181.04968	36.6
181.08635	2.9
181.10144	9.0
183.06548	2.7
183.11659	10.0
185.09660	3.4
193.10141	11.7
194.10695	2.6
195.11705	7.1
197.13179	5.5
203.10712	2.8
205.74251	2.7
206.10909	5.3
207.11688	17.7
208.12268	3.2
209.13232	15.0
213.12822	3.5
219.11688	5.4
220.12459	3.0
221.13237	15.9
223.14885	7.5
233.13167	3.8
235.14784	8.9
247.14684	5.1
248.15613	4.0
249.16531	3.0
251.14313	4.4
261.16400	3.2
263.14404	3.8
263.17957	5.7
267.13760	5.8
269.15372	3.7
277.19403	3.9
283.16910	2.9
295.16965	3.8
305.18942	7.3
323.20047	15.7
331.20596	3.1
349.21683	2.8
363.25595	2.6
385.31030	3.7
403.26443	12.4
415.83026	2.4
417.27927	4.0
417.33603	6.7
419.29254	6.8
427.31967	2.6
437.10101	2.7
445.27115	15.7
445.33038	6.1
463.21872	4.8
463.28278	100.0
464.28735	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91309	0.9
53.03946	2.4
53.87957	1.1
55.05512	11.4
57.07080	16.6
58.46532	1.0
62.63106	1.0
65.03931	1.3
67.01862	1.6
67.05506	13.9
69.03440	1.3
69.07069	18.7
69.71237	1.0
71.04997	2.1
71.08634	2.7
73.06571	1.9
79.05503	5.8
81.07058	32.9
83.04977	3.9
83.08611	7.3
85.02913	1.1
85.06527	5.9
90.37051	1.1
91.05482	6.0
93.07041	11.2
95.04989	2.4
95.08607	30.6
97.10155	5.7
98.22548	2.0
99.08126	1.3
105.03442	1.3
105.07036	5.1
107.08593	4.7
109.06519	3.7
109.10157	13.5
111.08121	1.3
111.11725	2.8
119.08598	3.8
121.06530	3.0
121.10144	4.3
123.08104	3.6
123.11726	9.4
125.85230	1.2
129.06975	1.8
131.08574	2.6
133.10149	4.2
135.08066	2.7
135.11714	2.1
137.05988	9.2
137.13239	7.7
138.06754	3.2
139.03857	1.2
139.07518	3.2
141.05496	2.7
143.08568	2.7
145.10179	2.2
147.08012	1.4
147.11642	1.7
149.05939	3.8
149.09639	1.4
149.13295	3.6
151.07542	18.3
151.14865	1.4
153.05470	2.0
155.08545	2.9
157.10204	2.0
159.11708	2.3
161.05980	3.7
161.09610	2.2
163.07474	2.0
163.11166	1.1
165.05504	13.3
165.06886	2.1
165.09106	5.5
166.06248	7.5
167.07040	100.0
168.07317	2.1
169.10138	1.8
171.11703	1.8
173.09593	1.5
175.07553	4.1
177.09138	3.3
179.07083	2.7
181.04979	2.1
181.08604	2.9
181.10146	1.9
183.11572	2.0
185.09563	1.8
187.11026	1.5
188.08270	1.8
189.09099	10.0
189.12700	1.2
191.07054	1.5
191.10666	1.8
193.08626	3.6
193.10144	1.3
195.11787	1.7
196.94324	1.1
197.13206	1.1
199.11253	1.5
203.10674	5.2
205.08659	3.1
205.12242	2.1
207.10150	6.7
207.11755	2.3
217.12238	3.3
221.11646	1.8
221.13548	1.8
222.13690	1.2
223.14796	1.1
229.11841	1.3
233.11650	1.3
283.17029	1.1
361.27460	1.5
371.25946	1.6
389.26791	2.5
390.27539	2.5
403.83945	1.3
427.31946	7.6
428.32504	2.3
445.27817	1.5
445.33060	9.7
446.33578	1.5
463.28323	9.8
463.34027	1.8
464.28918	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.05508	1.2
57.07059	0.6
61.48755	0.4
67.05505	2.5
69.07060	1.4
69.98398	1.4
71.05008	0.4
79.05500	1.1
81.07065	3.0
83.04976	1.2
83.08652	0.4
85.06567	0.6
91.05495	2.2
93.07050	2.4
95.08612	4.2
105.07037	3.5
107.08603	1.8
109.06552	0.7
109.10158	1.7
109.97890	0.4
111.04440	1.1
111.08111	0.9
115.05433	0.4
117.07024	1.0
119.08587	3.0
121.10165	1.1
123.08064	1.1
123.11738	0.6
125.25477	0.4
128.06219	0.6
129.07001	1.1
131.08569	1.2
133.10117	1.8
135.08051	0.7
135.11766	0.5
137.06012	0.5
141.07002	0.5
142.07826	0.9
143.08560	2.0
145.06483	0.5
145.10168	1.7
147.11705	1.3
153.06984	0.5
155.08577	2.8
156.09315	0.8
157.10161	3.9
159.11667	1.2
161.09622	0.8
161.13258	0.6
165.07086	0.6
167.08562	1.1
168.09285	0.4
169.10129	1.9
171.11693	1.5
175.10994	2.7
179.08583	2.0
180.09296	0.7
181.10101	2.6
182.10950	0.4
183.11708	1.5
187.11198	0.5
189.12714	0.5
191.08678	0.5
192.09363	0.9
193.10168	2.2
193.11671	0.4
194.10846	0.6
195.11710	2.9
196.12410	0.6
197.13278	1.2
199.11180	0.5
203.17987	0.6
205.10210	0.6
206.10890	0.8
207.11732	3.8
208.12340	1.3
209.13226	2.6
211.14873	0.4
219.11681	1.4
220.12503	1.1
221.13297	4.7
223.14764	2.3
225.12764	0.6
227.10652	0.5
232.12309	0.5
233.13222	0.9
234.14046	0.6
235.14812	1.7
237.16454	0.6
245.13159	0.5
247.14726	0.7
249.12817	0.8
249.16458	1.3
251.14328	0.9
253.12271	0.5
255.13667	0.5
257.15323	0.6
261.16446	0.8
263.14496	0.7
263.17957	1.3
265.15964	0.6
267.13828	1.6
269.15338	2.1
277.16025	0.6
277.19528	0.8
281.15451	0.8
283.17020	0.9
295.16837	0.8
305.18915	0.8
309.18460	0.8
311.23447	3.3
312.23923	0.4
323.20099	2.5
325.21884	0.4
331.20505	0.5
349.21771	0.4
403.26419	2.5
417.27820	1.3
419.29504	1.2
427.26385	0.7
445.27634	3.0
445.33670	0.6
463.28427	24.1
463.35419	100.0
464.28760	3.1
464.35791	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.01872	1.9
55.05513	14.9
57.07077	9.1
62.58743	1.3
65.03972	1.4
67.05170	2.4
67.05504	19.3
68.46793	1.3
69.03425	1.6
69.07069	25.1
70.54875	1.2
71.08628	4.8
73.24324	1.2
74.23504	1.1
75.47599	1.3
79.05489	7.2
81.07057	14.8
83.04987	5.2
83.08616	14.4
85.06542	2.5
85.10166	2.4
91.05495	11.2
93.07044	43.5
95.04978	4.5
95.08611	37.5
97.06535	2.3
97.10178	6.2
98.23470	2.1
99.04460	1.3
105.07041	9.9
107.08578	11.9
109.06503	3.5
109.10139	6.7
111.04471	3.2
111.08077	24.6
111.11694	2.9
117.07022	2.7
119.08596	7.8
121.06508	4.2
121.10152	5.0
123.08088	5.6
123.11716	3.0
124.07574	1.9
125.09663	2.2
125.13261	2.0
127.07567	4.2
128.06244	1.9
129.07033	1.3
131.08585	6.8
133.06554	2.1
133.10150	4.8
135.08064	1.9
135.11725	3.4
137.06035	2.0
137.09602	3.4
137.13319	1.2
139.07538	20.9
141.07014	2.6
142.07759	2.8
143.08572	6.8
145.10100	3.0
147.08070	1.3
147.11725	1.9
149.09651	1.4
149.13237	1.5
151.07556	4.9
151.11192	3.4
152.07059	3.5
153.09116	12.6
155.08569	8.4
156.09187	1.5
157.08780	2.4
157.10149	9.4
159.11729	5.7
161.09673	3.2
161.13272	1.6
165.09140	1.7
167.07141	3.0
167.08577	3.3
167.10674	8.6
168.09375	1.8
169.08614	7.5
169.10136	7.4
171.11720	4.2
173.13359	1.2
175.11259	1.6
177.09119	4.9
179.07098	1.6
179.08612	4.6
179.10713	2.9
180.09297	2.2
181.10074	7.2
181.12158	7.4
182.10724	1.5
183.11691	5.3
189.12720	2.1
192.09329	2.6
193.10181	9.5
193.12126	2.0
194.10960	2.9
195.11728	7.6
195.13821	5.3
197.09657	1.5
197.13266	5.2
199.11153	1.9
199.14896	2.2
203.10667	2.0
205.10185	2.0
206.10884	2.6
207.11732	14.1
207.13867	4.2
208.12413	2.8
209.09633	2.5
209.13293	11.7
209.15247	2.9
210.14088	1.6
211.14859	2.9
219.11667	2.9
220.12613	1.6
221.13345	9.9
221.15262	2.9
222.13873	1.6
223.14868	6.0
223.16870	1.7
225.12653	1.5
225.16565	2.2
228.90572	1.3
233.13303	3.5
234.13902	1.8
235.14856	5.5
236.15347	1.4
237.12770	1.5
237.16426	2.2
239.17775	1.6
247.14775	2.6
248.15652	2.4
249.12753	2.9
249.16479	3.2
251.14273	3.7
257.15393	2.9
259.14890	1.3
261.16461	2.9
263.14417	2.7
263.17987	4.5
265.21671	2.4
267.13852	3.0
269.15271	4.4
275.18152	1.7
277.16098	2.3
277.19223	1.7
277.21982	1.4
279.23181	1.8
281.15375	1.8
283.17017	1.5
289.16113	1.9
291.14099	1.6
295.17023	2.1
297.18338	1.9
303.17178	1.3
305.18823	3.1
309.18219	1.5
317.19174	1.3
319.39389	1.2
321.18481	1.7
323.20020	9.3
331.20566	2.3
349.21432	1.8
403.26511	9.5
403.35690	100.0
404.35934	10.3
417.27805	3.6
418.28220	3.2
419.29401	4.0
421.36838	5.4
427.26218	3.1
432.54779	1.4
445.27567	8.8
445.36938	2.7
446.27765	1.4
454.84119	1.4
463.28342	69.4
463.37891	18.3
464.28687	10.7
464.38455	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.05510	3.1
57.07076	3.1
66.47165	0.9
67.05495	3.7
68.38274	0.8
69.07072	4.3
69.34209	4.9
69.34618	1.8
71.08638	2.2
79.05497	2.4
81.07053	8.0
83.04954	1.6
83.08620	2.4
84.64668	0.9
85.06507	1.1
91.05457	2.1
93.07057	4.0
95.04996	1.5
95.08598	7.5
97.10152	1.7
104.11552	0.9
105.07032	5.3
107.08604	4.2
109.10145	1.9
111.11743	1.1
111.28019	0.9
117.07038	1.3
119.08575	5.2
121.10149	2.7
123.08035	1.3
123.11691	1.9
131.08572	2.2
133.10135	2.2
135.11671	2.0
141.82997	0.8
142.07782	1.2
143.07054	1.1
143.08508	1.1
145.10101	2.7
147.11681	1.7
151.07518	1.2
155.08554	2.9
157.10146	3.5
159.11717	3.6
165.06932	1.3
171.11729	1.3
175.10989	2.6
179.08563	1.2
181.10106	1.4
185.13315	1.3
193.10233	1.9
194.10870	1.2
195.11737	2.3
205.10248	0.9
206.11002	1.2
207.11758	2.3
209.13365	2.2
219.11671	1.1
221.13211	2.9
223.14665	1.2
235.14919	1.4
254.13040	1.2
263.18079	1.1
311.23480	4.0
312.06760	1.0
323.20178	1.6
347.33047	1.1
427.35681	2.8
445.27414	2.2
445.36569	3.5
453.71179	0.9
463.28442	22.0
463.35403	100.0
464.28915	2.5
464.35693	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20284	1.4
53.03944	2.1
55.01513	1.2
55.05511	11.4
57.07079	32.5
67.05514	10.5
69.03416	1.8
69.07067	26.4
69.79840	6.2
71.08629	21.3
79.05497	8.5
81.07065	21.0
83.04974	4.1
83.08621	16.1
85.06512	3.2
85.10185	13.0
91.05485	7.9
93.07056	12.6
94.09981	1.2
95.04958	3.3
95.08604	25.0
97.06528	4.3
97.10191	10.3
98.23254	2.0
99.04464	3.4
101.94370	1.2
105.07013	10.3
107.08617	9.6
109.06533	12.0
109.10163	9.9
111.04434	3.6
111.08088	5.9
111.11720	6.4
115.05474	1.7
117.07017	3.4
119.08569	11.5
121.06509	4.2
121.10133	7.8
121.16614	1.3
123.08086	8.7
123.11719	3.4
125.05998	13.6
125.09663	1.7
125.13280	2.0
127.06596	2.1
127.07561	39.2
128.06215	1.5
129.07034	3.2
131.08519	6.5
133.06410	1.7
133.10126	6.6
135.08049	3.8
135.11697	2.9
137.05988	5.0
137.09610	3.4
137.13225	1.4
139.07541	100.0
141.07004	1.8
142.07773	4.7
143.08545	6.0
143.09521	1.4
145.10106	5.7
147.08069	2.2
147.11690	3.5
149.06006	4.3
149.09656	3.6
149.13272	1.5
151.07574	7.9
153.09117	2.0
153.60387	1.1
155.08568	8.1
156.09314	2.1
157.10162	11.3
159.08131	2.0
159.11687	5.8
161.02379	1.4
161.09637	3.1
161.13297	3.4
163.07533	2.9
165.06995	1.8
165.09134	3.0
167.07042	7.4
167.08461	2.9
169.10135	5.1
171.11700	3.9
173.09619	2.5
173.13243	2.0
175.11131	1.4
175.14909	3.1
177.09076	12.8
178.07817	1.3
179.08589	5.6
179.10696	3.4
181.10210	6.7
183.11720	5.3
185.13268	2.0
189.12790	2.2
192.09297	2.5
193.10121	5.9
194.10806	2.2
195.10121	1.8
195.11685	7.7
197.13232	4.3
207.11708	16.7
208.12210	2.7
209.13318	8.7
211.14850	2.3
217.12296	2.7
219.11684	2.4
219.13809	2.0
221.13263	11.5
223.11240	1.8
223.14856	7.0
227.10652	1.7
235.14854	3.8
236.15575	1.9
237.16412	2.1
239.14331	1.8
247.14819	2.4
249.12772	2.6
249.16473	2.4
253.12260	2.5
261.16376	2.6
263.17944	3.3
265.19547	1.6
267.13831	5.7
269.15384	5.0
277.19641	2.2
281.15317	1.9
283.17050	1.6
287.17569	1.6
295.16937	1.9
297.18228	1.7
301.29013	5.0
305.19019	2.9
310.18411	1.4
319.29922	9.7
321.18524	1.7
323.20096	9.4
325.21805	1.9
347.33032	11.9
348.33237	1.6
349.21729	1.8
373.30896	3.9
399.36316	2.8
403.26379	6.8
403.35553	3.4
417.27924	2.6
417.37173	14.1
418.37646	1.7
419.29245	3.6
427.26334	2.9
427.35367	1.5
445.27719	6.7
445.36780	32.2
446.36908	2.6
463.28317	59.7
463.37708	16.4
464.28537	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.378
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
55.05505	21.5
55.84227	2.8
57.07074	37.5
67.05499	13.8
69.07074	29.5
71.04991	3.4
71.08632	27.2
79.05489	7.1
81.07055	24.1
83.04961	3.8
83.08610	17.7
85.10193	17.9
91.05478	7.5
93.07039	14.4
95.08614	27.9
97.02876	3.2
97.06533	4.1
97.10175	14.3
98.22613	6.5
105.07030	14.2
107.08586	8.9
108.70525	2.9
109.06513	18.5
109.10159	11.6
111.11711	4.8
117.07047	4.7
119.08631	8.0
121.10097	5.6
123.08080	15.9
123.11715	5.0
125.05978	19.1
127.07558	50.7
131.08603	5.7
133.10110	5.2
135.08112	4.8
135.11714	3.4
137.06003	7.7
137.09602	4.3
139.07541	100.0
142.07726	3.6
145.10139	4.8
147.08032	3.4
147.11711	5.4
149.05920	3.7
149.09589	3.8
149.13203	7.3
151.07544	8.6
155.08597	6.5
157.10117	8.9
159.11656	6.3
161.09615	4.4
161.45306	3.0
165.09093	3.9
167.07040	4.6
169.10129	7.5
177.09152	14.9
179.08580	5.4
181.10106	4.4
185.13345	3.7
187.11162	3.6
193.10078	5.1
195.11671	5.3
197.13290	4.4
207.11699	12.0
209.13336	9.1
219.11674	3.3
221.13194	8.3
223.14890	5.2
235.14886	3.6
263.17972	5.8
267.13809	3.8
269.15335	4.7
301.28751	6.7
305.18866	4.8
319.30011	12.8
323.19965	10.7
347.33109	18.6
348.33038	3.7
373.30972	4.0
399.36484	4.6
403.26691	6.6
403.35455	5.1
417.37158	23.2
427.35773	5.1
445.27521	6.6
445.36691	55.2
446.37155	4.9
463.28403	66.2
463.37915	33.8
464.28748	6.9
472.24704	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3781
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
50.95103	0.8
52.89530	0.9
53.03942	2.0
55.01866	1.0
55.05511	22.0
55.18383	0.8
57.07075	10.5
58.88247	0.9
59.31725	0.9
61.67134	1.0
67.05508	8.8
69.03429	1.8
69.07065	26.0
69.22044	6.7
71.08630	2.7
72.59660	0.9
73.02907	0.9
79.05494	6.1
81.07056	14.9
82.07388	1.4
83.04980	39.4
83.08614	13.0
84.05318	1.1
85.06506	2.3
85.10188	2.0
85.36641	0.9
86.40178	1.0
91.05474	9.3
93.07034	16.0
95.04971	4.1
95.08607	18.6
96.08959	0.9
97.06534	2.3
97.10176	8.8
98.23324	2.0
99.04425	1.8
99.08088	2.6
105.07035	6.0
107.08590	12.0
109.06487	5.6
109.10159	9.0
111.04410	1.0
111.08070	7.1
111.11727	2.3
117.07017	3.6
119.08553	7.3
121.06508	24.8
121.10130	4.4
123.04410	1.3
123.08067	6.6
123.11713	3.6
124.43964	0.9
125.06019	2.7
127.07555	9.6
128.06207	1.2
131.08554	3.9
133.10127	6.0
134.10481	1.1
135.08063	10.2
135.11685	3.8
137.05978	3.5
137.09592	5.5
137.13219	1.8
138.06714	3.0
139.07539	52.0
141.06995	1.3
142.07811	2.1
143.08578	3.8
145.10118	5.2
147.08026	1.7
147.11711	3.6
149.05939	1.3
149.09631	3.0
149.13263	1.3
151.07510	5.0
153.05452	1.8
153.09068	5.8
155.07288	0.9
155.08562	3.9
156.09286	1.0
157.10101	5.7
159.11678	4.8
161.09599	2.1
161.13220	1.9
162.13562	1.4
163.07532	12.2
163.11217	1.8
163.14778	1.3
165.09125	3.7
166.06294	5.5
167.06961	6.5
167.08420	1.0
167.10703	2.0
169.08730	1.6
169.10109	3.8
171.11705	3.2
171.13777	14.6
173.09636	1.8
173.13170	1.2
175.11177	1.0
175.14821	1.4
177.09099	0.9
179.07033	1.4
179.08473	2.3
179.10736	1.5
181.04913	1.6
181.08653	14.1
181.10117	2.9
181.12190	1.7
183.11662	3.2
185.13278	1.4
187.11133	1.7
189.12770	2.7
191.08720	1.5
191.10580	1.9
191.14259	1.3
192.09264	1.1
193.10150	4.6
194.10789	2.1
195.11710	4.8
195.13795	2.0
197.09715	1.2
197.13213	1.7
198.62860	0.9
199.11128	1.9
203.14305	2.0
205.10193	1.3
205.12125	1.7
206.10829	1.3
207.11775	5.8
208.12407	1.2
209.13387	4.7
209.15125	1.4
211.14738	1.5
213.12865	1.2
219.11781	2.1
219.13867	1.4
221.09669	1.1
221.13239	6.2
223.13057	1.5
223.14848	2.8
231.13934	1.4
233.13286	2.5
235.14845	3.5
237.14775	1.6
247.14711	1.0
249.16484	1.7
261.16357	1.5
263.14230	1.4
263.17984	1.9
267.13837	1.7
269.15311	1.8
295.16837	1.2
305.18976	1.1
307.22684	2.0
309.18594	1.4
319.22659	1.5
323.20050	5.0
333.24301	1.2
363.28845	1.5
389.30844	1.1
403.26151	4.2
417.27487	1.7
419.29584	1.7
427.35626	1.6
445.36783	100.0
446.37268	10.0
463.28229	28.8
463.38214	14.4
464.28745	3.0
464.38480	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.01854	0.4
57.03439	0.6
58.76435	0.4
61.02924	5.8
68.99792	0.7
69.03410	1.4
71.04999	0.5
71.15906	0.5
73.02914	1.8
81.03417	0.8
81.07042	0.6
83.17028	0.3
85.02905	5.8
90.07099	0.4
91.03933	2.7
93.03411	0.7
93.07026	0.8
95.04963	1.5
95.08614	0.5
97.02882	3.8
99.04470	0.6
103.05464	39.5
104.05807	1.2
105.07047	0.8
107.04974	0.7
107.08582	1.4
109.02871	1.1
111.00797	1.3
115.03924	0.5
119.08504	0.4
121.02854	1.3
123.04424	1.0
126.05523	0.5
127.03957	1.3
131.04922	100.0
132.05261	3.0
135.04422	0.6
135.11719	0.7
137.02327	4.5
137.05966	0.5
145.05016	0.7
145.06444	0.4
149.02359	0.9
153.01822	5.8
153.12724	0.7
159.04355	0.5
161.05954	2.2
163.07535	36.1
164.07938	1.2
164.75400	0.4
165.01816	3.2
173.05957	0.6
181.08734	0.5
183.02873	1.2
183.04376	0.6
189.09117	1.3
201.05469	2.4
207.10181	1.2
211.03798	0.4
221.15269	0.5
228.04131	0.6
229.04929	5.9
231.13829	0.6
247.06036	0.8
249.14874	0.7
257.01947	0.6
257.04434	3.6
267.15973	0.8
274.04736	1.0
285.03912	1.7
302.10709	0.6
303.04971	91.9
315.04752	0.4
464.15552	0.4
465.17093	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43048	1.5
51.00699	1.4
53.03951	1.5
55.05512	2.0
57.03439	12.7
59.09175	1.3
61.02938	1.6
69.03425	2.8
69.35210	3.1
69.35617	7.1
71.05000	78.9
73.02932	2.2
73.04777	2.1
75.04500	4.3
83.04988	9.4
85.02913	100.0
87.04466	2.9
91.05800	3.5
95.04989	1.9
97.02902	4.2
103.03991	1.9
105.07042	10.9
111.04467	4.8
121.02893	5.9
122.09721	4.2
123.04480	1.9
127.03936	4.4
129.05487	45.7
139.03906	8.7
145.05096	2.0
146.06046	1.5
147.06528	25.3
161.05974	2.4
164.09196	7.7
167.05620	1.8
182.52092	1.6
190.12738	1.4
203.13882	1.4
244.27275	1.6
318.06638	1.6
361.02682	2.4
430.13043	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.5
61.02925	1.4
63.62498	0.8
69.03436	3.8
71.04994	23.6
71.29893	1.1
73.02940	1.2
75.04490	1.9
77.00601	0.9
79.05502	0.9
81.03410	2.4
81.07072	0.9
83.04979	3.4
85.02905	42.1
86.03260	1.6
87.04468	1.7
91.03950	1.0
91.05454	1.9
93.07048	1.6
95.08592	1.2
97.02882	4.7
99.04434	1.6
105.07055	2.0
107.04934	1.8
109.02889	1.5
111.04429	2.3
119.08544	1.0
121.06496	7.2
123.04381	1.7
127.03915	4.4
129.05495	12.5
131.04939	1.8
135.04413	1.0
135.08061	1.7
135.38811	0.9
137.02325	1.9
137.05960	5.6
139.03914	0.9
144.06496	1.0
145.04980	3.8
145.06438	2.0
145.10150	1.6
147.06540	8.0
147.07619	1.1
149.05978	4.4
151.03923	0.9
153.01859	1.1
153.05521	0.9
161.05986	100.0
162.06366	4.1
163.03917	1.2
163.07562	1.9
164.09242	2.1
175.07555	9.9
179.07036	31.3
180.07367	2.3
187.07584	2.4
189.05557	0.9
195.06583	1.4
197.06390	1.0
197.08131	3.3
203.07045	20.6
203.14359	1.4
205.04752	3.1
205.08676	1.8
206.05089	2.6
221.08092	60.8
222.08427	1.7
229.05006	1.2
231.13737	3.2
248.28845	0.8
249.14905	4.5
267.08667	11.6
267.15863	2.0
285.09680	11.1
285.16846	0.9
296.09799	1.0
301.89084	0.9
303.04996	22.0
303.08459	1.5
326.25626	1.1
405.14093	1.2
464.16034	11.3
465.19238	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.3
57.03423	27.6
61.02934	8.7
64.44480	5.8
67.05531	6.0
69.03431	81.6
71.04968	7.5
73.02902	11.5
73.47263	5.9
81.07043	7.1
85.02911	64.4
87.04465	52.9
88.75954	6.3
97.02886	73.1
105.07050	12.1
115.03925	85.4
121.02859	59.3
127.03917	14.2
133.04964	100.0
133.10164	11.0
137.05930	10.2
139.03853	13.6
145.04948	20.3
153.05440	67.7
201.78737	6.4
203.56139	7.4
219.13744	6.8
249.15065	9.9
303.04968	88.1
333.74805	6.6
344.44547	7.5
464.22180	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	6.6
57.03429	15.2
59.57402	5.6
69.03428	78.4
70.86256	12.6
73.02930	13.2
74.38686	5.5
79.62767	6.5
81.03436	6.0
85.02428	8.2
85.02902	100.0
87.04478	43.8
91.03949	6.1
93.07051	6.2
97.02874	65.6
98.23338	6.2
103.05479	6.5
105.07030	66.0
105.43932	5.3
115.03932	68.6
121.02880	39.6
121.06534	7.9
123.04444	6.3
127.03901	21.2
133.04945	68.6
137.05975	11.9
139.03885	17.0
145.05014	32.1
146.06029	9.5
150.58649	7.4
151.03957	7.9
153.05498	52.8
157.54959	7.1
159.06747	5.6
162.05437	6.5
163.05966	20.3
230.34769	6.0
231.13652	9.0
290.34552	6.6
298.11145	7.1
303.05002	63.7
319.04404	13.4
448.13626	7.5
464.15805	9.9
465.16647	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01874	2.1
57.03439	4.5
61.02926	8.1
61.59944	0.3
63.36548	0.3
66.13538	0.3
68.20010	0.3
69.03429	14.5
69.37289	1.7
71.05000	1.7
73.02918	4.0
79.05461	0.4
81.03418	5.3
81.07043	0.3
83.01341	0.7
85.02905	100.0
85.59412	0.3
86.03259	1.5
87.04481	2.2
91.03955	6.7
97.02892	24.6
99.04441	3.8
101.02348	0.3
103.03949	1.1
105.07037	4.0
109.02876	7.6
115.03938	1.4
117.06996	0.7
119.08575	0.7
127.03914	24.9
128.04305	0.7
131.04916	1.0
137.05925	0.4
145.04955	47.5
146.05318	1.2
147.08054	1.1
153.05385	0.4
162.07668	0.3
163.06024	23.9
163.07430	0.8
164.06273	0.5
180.08711	0.6
181.06932	0.5
189.08968	0.4
231.10216	0.5
241.66893	0.3
267.12180	0.4
285.13290	1.0
289.09003	0.5
303.04871	1.1
303.11920	0.8
325.11212	0.5
464.21991	0.4
465.17334	20.2
482.77988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01872	2.3
56.11992	0.7
57.03439	4.8
57.31466	0.8
61.02923	10.1
69.03431	14.0
71.04978	1.6
73.02914	4.4
81.03413	6.2
85.02904	100.0
86.03233	1.2
87.04485	2.1
91.03945	6.8
94.97008	0.8
95.05013	0.8
95.08587	0.9
97.02891	26.8
98.22614	1.5
99.04462	3.5
101.02408	0.8
103.03928	1.2
105.07034	5.7
107.08665	0.8
109.02885	8.7
109.06539	0.9
115.03889	1.8
119.08551	0.9
125.02324	1.6
127.03918	23.7
131.04895	2.1
137.02345	2.3
143.03387	1.4
145.04959	51.3
147.04332	1.1
147.08002	1.4
153.01843	2.3
154.59467	0.8
163.03963	1.2
163.06021	25.1
163.07408	1.6
165.01836	1.1
181.78328	0.8
201.05426	1.4
229.04993	1.9
249.14894	1.1
257.04401	2.0
267.12421	0.9
285.13425	1.8
294.07571	1.9
303.04974	57.6
303.11890	4.6
315.05087	1.3
325.11484	1.3
464.15701	0.9
464.21918	15.4
465.17172	18.6
465.23184	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
55.05508	1.4
57.03442	9.7
59.04983	0.6
61.02929	1.6
69.03420	3.8
71.04994	71.9
72.05336	1.8
73.02916	2.2
75.04481	4.4
81.03429	1.0
82.65487	0.6
83.04982	8.6
85.02905	100.0
86.03246	1.0
87.04462	2.2
91.03937	0.8
91.05453	0.7
93.07034	0.7
93.34222	0.6
94.65450	0.5
97.02898	3.3
99.04456	1.8
109.02911	0.8
110.06046	0.6
111.04444	4.9
121.06519	11.0
127.03926	5.5
129.05476	43.5
130.05811	1.0
131.08470	0.7
133.06552	0.6
135.08147	0.6
139.03914	1.1
145.04979	4.0
145.06444	3.2
146.08138	2.2
147.06517	25.8
149.06003	0.7
159.08040	1.4
163.06039	1.3
163.07544	2.1
164.09210	5.5
165.07623	0.6
175.07539	1.4
177.86284	0.6
179.06952	0.7
187.07536	5.3
205.08598	5.3
229.08646	1.2
231.10185	1.6
247.09697	1.0
249.11256	0.8
255.08667	1.3
267.12323	1.4
273.09659	1.8
301.07010	1.0
302.07373	2.7
309.11853	1.2
369.65927	0.6
448.14005	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01867	1.1
55.99457	0.4
57.03437	2.8
60.61428	0.4
61.02926	4.9
61.40057	0.4
68.99823	0.5
69.03426	7.6
69.17645	3.3
71.04986	1.6
73.02913	1.8
81.03407	3.5
85.02902	37.8
87.04424	0.6
91.03957	2.7
93.07037	0.4
97.02888	9.5
98.23329	1.0
98.40591	0.5
99.04447	1.4
103.03949	0.4
105.07040	2.0
107.08514	0.8
109.02872	3.5
111.00810	1.4
121.02885	0.9
127.03910	8.3
132.17323	0.5
137.02330	4.5
145.04955	16.3
145.06128	0.9
146.05339	0.8
153.01770	3.1
161.06009	0.7
163.03940	0.8
163.06012	8.5
165.01805	2.0
173.05963	0.6
183.02826	0.5
183.04527	0.5
201.05464	2.6
229.04953	3.8
247.05849	0.4
257.04395	3.3
274.04739	0.7
285.03949	1.3
298.76535	0.4
303.04971	100.0
315.04971	0.7
341.06564	0.4
345.05872	0.4
464.21622	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04995	1.8
55.05503	4.5
57.03417	2.7
57.07067	3.3
59.04996	1.9
61.02915	4.0
67.05502	5.9
68.98663	1.7
69.03420	5.3
69.07066	28.4
71.04996	6.4
71.29707	2.3
71.30083	2.2
73.02927	2.4
74.26008	1.9
79.05487	9.4
81.07068	5.6
83.04980	2.5
83.08591	4.4
85.02911	17.2
85.06543	2.6
91.05485	9.1
93.07044	11.8
95.08606	6.9
97.02885	5.0
97.06531	4.8
105.03378	6.2
105.07026	16.8
107.08582	11.6
109.06542	2.0
109.10143	5.3
111.04463	4.1
111.08067	2.7
112.34195	1.9
119.08575	23.0
121.06559	3.0
121.10130	6.4
123.04420	3.6
123.08080	3.2
125.05994	4.4
125.09597	2.7
127.03873	2.9
129.05428	2.0
129.07056	2.2
131.08557	6.3
133.10158	6.5
135.04405	3.0
135.08072	7.1
135.11705	2.6
143.08563	7.2
145.04927	5.4
145.10162	6.4
147.08044	4.7
147.11699	3.4
151.07570	8.3
153.05434	2.8
153.09131	6.1
153.26865	2.1
157.10155	4.9
159.11661	3.9
161.05995	5.4
161.09630	3.3
165.09082	5.8
175.07542	2.6
175.11179	3.3
175.14822	24.0
185.13286	10.6
202.49805	2.0
203.14317	64.4
204.14673	3.6
221.15402	6.4
231.13818	34.7
249.14867	100.0
250.15306	5.4
267.12622	4.5
267.15939	24.4
303.05011	7.1
344.04742	2.3
464.16028	4.4
464.22073	3.8
465.17889	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.3
52.45582	1.3
53.03938	5.0
55.01870	5.6
55.05511	5.6
57.03437	12.4
57.07089	1.9
61.02921	7.1
62.47104	1.3
67.05509	1.6
68.05772	1.3
69.03428	19.2
69.07066	1.8
69.07907	11.5
71.01348	2.9
71.94347	1.2
73.02923	19.0
79.05491	24.8
81.03412	5.8
81.07056	2.3
83.04944	1.7
83.08603	3.3
85.02906	42.7
87.04438	4.0
89.03925	6.2
90.49540	1.5
91.03941	2.0
91.05484	13.8
93.07047	100.0
94.07371	1.9
95.04976	5.1
95.08592	3.9
97.02896	26.4
98.23331	3.4
100.07607	2.0
100.11275	10.1
102.69674	1.4
103.03918	2.2
105.04528	1.6
105.07043	5.4
107.08582	26.4
109.02904	3.9
109.06470	1.5
109.10169	7.9
111.04475	1.8
115.03914	10.9
117.03374	22.6
119.08572	3.3
127.03915	53.2
129.07085	2.0
132.06592	1.8
133.04964	14.9
133.10182	3.3
134.73636	1.4
135.11690	45.1
145.02850	52.5
145.04903	15.1
145.10094	2.0
147.08002	2.0
147.11679	2.5
149.06027	6.6
150.07591	3.2
151.07590	1.4
152.14362	1.7
153.12729	4.8
161.62912	1.7
163.06017	8.4
177.05467	96.3
177.12816	1.5
182.15443	4.2
201.70529	1.3
209.16512	1.8
210.14964	4.4
241.07104	2.6
249.14828	2.4
259.08200	4.1
267.15884	2.7
268.53165	1.5
295.10205	1.7
303.04968	6.5
321.09610	2.3
325.92200	1.6
327.40094	1.5
350.75751	1.5
395.68896	1.6
400.80215	7.0
455.32922	3.4
455.82727	2.0
464.33395	23.9
464.83444	11.9
474.34299	2.1
475.32504	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04995	1.8
55.05503	4.5
57.03417	2.7
57.07067	3.3
59.04996	1.9
61.02915	4.0
67.05502	5.9
68.98663	1.7
69.03420	5.3
69.07066	28.4
71.04996	6.4
71.29707	2.3
71.30083	2.2
73.02927	2.4
74.26008	1.9
79.05487	9.4
81.07068	5.6
83.04980	2.5
83.08591	4.4
85.02911	17.2
85.06543	2.6
91.05485	9.1
93.07044	11.8
95.08606	6.9
97.02885	5.0
97.06531	4.8
105.03378	6.2
105.07026	16.8
107.08582	11.6
109.06542	2.0
109.10143	5.3
111.04463	4.1
111.08067	2.7
112.34195	1.9
119.08575	23.0
121.06559	3.0
121.10130	6.4
123.04420	3.6
123.08080	3.2
125.05994	4.4
125.09597	2.7
127.03873	2.9
129.05428	2.0
129.07056	2.2
131.08557	6.3
133.10158	6.5
135.04405	3.0
135.08072	7.1
135.11705	2.6
143.08563	7.2
145.04927	5.4
145.10162	6.4
147.08044	4.7
147.11699	3.4
151.07570	8.3
153.05434	2.8
153.09131	6.1
153.26865	2.1
157.10155	4.9
159.11661	3.9
161.05995	5.4
161.09630	3.3
165.09082	5.8
175.07542	2.6
175.11179	3.3
175.14822	24.0
185.13286	10.6
202.49805	2.0
203.14317	64.4
204.14673	3.6
221.15402	6.4
231.13818	34.7
249.14867	100.0
250.15306	5.4
267.12622	4.5
267.15939	24.4
303.05011	7.1
344.04742	2.3
464.16028	4.4
464.22073	3.8
465.17889	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.3
53.45256	1.7
55.01868	5.4
55.05508	5.5
57.03442	8.6
58.85877	1.9
59.04991	2.0
61.02920	5.6
65.03931	2.4
67.05470	2.3
69.03431	21.6
69.03757	1.9
69.04550	13.7
69.07064	4.6
71.01345	3.3
72.65542	1.7
73.02918	27.0
73.07041	1.6
79.05489	14.7
81.07060	7.7
83.04996	1.9
85.02905	27.6
87.04484	3.8
91.05463	22.6
91.05914	1.7
93.07043	87.1
94.07385	2.2
95.04974	6.6
95.08618	2.8
97.02896	21.0
98.23360	4.0
103.03976	1.6
105.04531	1.8
105.07034	10.2
107.08594	100.0
108.08936	2.2
109.02859	2.0
109.06546	3.2
109.10175	1.8
115.03928	11.6
119.06038	3.0
119.08610	4.4
121.10155	3.0
123.04469	2.4
127.03904	7.3
133.04927	14.2
135.11693	56.1
137.05969	6.0
138.06284	1.8
145.04959	8.9
150.07657	3.4
151.03958	2.0
163.06033	4.6
163.07410	1.7
184.07484	2.2
220.86771	1.7
232.00389	1.8
269.64447	1.8
282.36792	1.8
303.04892	3.9
318.95993	1.8
365.09195	1.7
465.18488	2.6
465.61603	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87257	2.1
53.03944	5.6
55.01869	6.7
55.05511	6.4
57.03434	17.5
59.04998	3.1
61.02925	9.5
67.05502	6.7
69.03435	21.3
69.07069	5.5
69.39264	7.2
69.39671	4.6
71.01385	4.6
73.02920	30.0
74.20734	1.9
79.05484	23.6
81.03415	4.8
81.07058	7.6
83.04992	2.1
85.02905	56.0
87.04493	3.3
91.05486	19.6
93.07044	100.0
94.07341	2.6
95.04983	5.2
95.08601	9.5
97.02897	39.5
99.04471	2.8
105.07028	6.4
107.08591	70.6
108.09002	3.4
109.02888	5.6
109.10192	2.8
115.03919	14.7
119.08611	3.1
121.10168	1.9
127.03896	15.8
131.25356	2.1
133.04964	19.0
133.10118	6.0
135.11696	84.9
143.08609	2.6
145.04958	17.1
145.10085	3.5
147.11671	3.5
151.11089	2.8
153.12755	6.9
159.11736	2.3
161.13277	2.3
163.06027	7.7
171.11801	2.8
199.06136	2.2
201.12762	2.1
241.07040	2.5
249.14882	3.6
267.16055	2.8
303.05078	5.4
317.19144	2.3
379.13687	2.3
421.14243	5.9
465.13657	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.6
63.39317	1.6
67.05497	2.3
70.50997	3.1
79.05508	3.0
81.07051	5.2
83.04984	1.9
85.22850	1.5
90.41929	1.5
91.05463	2.9
93.07061	3.5
95.04968	1.8
95.08591	3.6
105.03394	5.0
105.07028	4.8
106.03664	1.6
106.46051	1.6
107.08629	4.3
109.06519	4.6
109.10149	2.3
110.10439	1.5
117.06988	2.0
119.08604	2.4
121.10119	1.9
131.08557	1.4
133.10094	2.0
135.08012	1.8
136.15807	1.3
143.08524	3.4
145.10196	2.0
154.67343	1.4
155.07076	1.5
155.08575	1.6
157.10109	2.0
159.11748	2.4
169.10022	2.1
173.09642	2.1
173.13222	1.8
179.54329	1.4
182.10527	2.2
185.13313	1.9
194.10722	2.1
196.12244	1.2
199.11070	1.6
209.09656	2.0
210.13681	1.4
212.11682	1.6
213.12718	2.1
223.11226	1.6
226.13037	1.7
227.14377	1.6
235.14607	1.4
241.08388	1.9
253.08766	1.4
257.08157	2.5
270.08771	1.6
271.09634	1.5
280.18051	1.5
282.08786	1.8
284.10413	4.0
285.07547	3.3
285.10913	1.8
293.08386	1.4
293.11615	2.7
295.13266	2.1
296.10321	1.6
299.12689	2.6
300.09933	3.6
301.07169	1.5
301.10617	1.8
305.11346	1.5
306.12564	1.8
306.19254	1.8
307.13416	4.9
310.18793	1.6
310.22351	3.4
313.10703	4.0
314.11450	1.9
315.12268	4.2
322.12100	1.8
322.15442	6.3
323.12830	5.7
327.12314	3.1
328.13028	5.8
329.10184	2.3
329.13879	2.3
331.11725	6.5
332.12436	5.6
337.14346	2.3
338.15109	13.5
339.12164	3.3
341.17563	2.3
342.14551	7.4
343.11755	1.6
344.12646	2.0
345.13229	3.8
346.14099	16.0
347.14630	2.2
352.16681	2.2
353.13763	2.7
353.17508	13.1
354.14548	2.0
355.15167	2.1
358.14026	1.9
359.14886	7.0
369.16989	16.6
373.16446	8.8
384.19284	46.2
385.19867	4.1
400.18747	8.3
400.27170	1.6
415.21149	100.0
416.21381	8.0
428.26483	2.2
446.27637	6.0
464.28915	12.4
465.29813	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62622	3.8
67.05514	5.7
69.03422	4.8
69.55510	10.6
69.55922	6.9
79.05486	5.3
81.07050	13.5
91.05460	6.8
93.07053	11.3
95.08595	11.8
105.06989	8.0
107.08594	7.7
108.80421	3.8
109.06479	5.5
116.64473	3.3
119.08560	8.1
121.48671	3.2
123.08076	4.9
131.08540	7.3
133.10097	5.8
135.08041	5.1
137.05974	19.0
143.08609	4.8
145.10080	5.4
147.08191	4.4
157.10097	8.7
159.08092	4.0
159.11623	5.1
167.08534	4.6
169.10120	10.9
171.11662	7.5
183.11690	9.1
185.13280	4.7
187.11214	12.0
189.12721	4.5
193.10187	5.6
195.11781	6.4
197.13199	7.2
198.78477	4.3
207.11729	6.6
209.13333	6.6
211.14906	7.0
220.12131	3.7
223.14760	7.2
224.57706	4.3
225.12775	4.4
251.14261	4.4
255.13928	4.0
267.06531	4.3
269.15530	4.3
279.17303	4.3
283.90002	4.1
285.07312	4.1
298.08362	4.6
301.10910	4.3
303.08401	4.5
306.19214	4.1
313.10660	5.8
314.11493	4.5
317.10355	5.2
318.10941	5.0
323.12799	13.3
325.21570	7.6
327.12424	8.0
328.12772	5.5
332.12469	12.0
333.13425	5.6
337.14581	17.8
338.15207	7.0
339.12219	4.9
341.17584	5.8
345.13412	7.6
355.15210	8.1
359.14938	8.5
369.17053	29.3
370.17578	23.1
401.19650	100.0
402.19907	7.8
404.19406	4.5
405.20517	15.7
429.27554	9.2
447.29022	9.4
465.22879	3.8
465.29730	24.0
474.27982	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01500	3.8
53.03970	4.5
55.05515	6.1
56.41974	3.7
65.03986	5.7
67.05505	14.8
69.07076	4.8
79.05495	11.1
81.03427	4.6
81.07071	26.3
89.65073	4.1
91.05489	12.5
93.07029	12.8
93.24357	4.1
95.04981	4.9
95.08613	12.7
105.03396	6.5
105.07040	9.8
107.08593	4.9
109.06510	8.0
119.04995	4.2
119.08604	8.5
121.06461	4.1
121.10148	6.6
126.02172	20.1
129.06984	5.5
131.08588	5.4
133.10146	7.9
135.11736	5.2
137.05995	18.8
143.08572	5.6
147.11732	7.6
149.13326	4.0
161.13322	6.5
201.16383	7.3
278.13062	4.8
280.11258	5.1
282.08936	5.0
295.13193	4.5
296.10565	5.3
303.05136	4.5
306.12521	5.4
309.14816	9.1
313.10834	6.2
318.11017	9.8
323.12778	12.9
332.12515	15.5
337.14307	29.1
338.15179	11.2
339.27032	7.4
341.17664	9.2
355.15472	10.5
359.14920	7.6
367.63394	4.1
369.16910	31.5
370.17584	24.1
374.10663	4.8
401.19635	100.0
402.19791	11.6
405.20416	12.9
464.17480	6.9
464.28650	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.103
Annotation	Isoetin 5'-glucoside
Peak:m/z	Relative Intensity
53.03926	0.4
55.01841	1.5
57.03440	2.8
58.19635	0.4
59.04961	1.6
59.27744	0.4
68.99751	1.6
69.01327	4.4
69.03432	8.6
69.88213	0.4
70.11531	0.4
71.01366	2.8
73.02917	14.7
74.55132	0.4
81.03379	0.5
81.07073	0.4
82.55603	0.4
83.01295	0.6
85.02906	5.3
87.04470	4.2
89.02338	1.4
91.05417	0.5
95.08569	0.6
97.02892	14.4
99.04408	0.9
103.45467	0.5
107.04916	0.5
108.71379	0.4
109.02818	1.2
111.00729	1.5
111.98826	0.4
115.03929	35.9
116.04214	0.7
117.07016	0.4
119.56212	0.4
121.02858	2.8
123.04307	0.4
133.02794	0.6
137.02339	3.2
143.03328	1.2
145.06427	0.5
147.04390	0.8
149.02361	0.6
153.00674	0.6
153.01817	6.8
153.12733	0.5
163.03857	0.6
165.01834	3.7
173.05933	0.6
183.02873	1.7
185.05917	0.9
187.03912	0.5
201.05406	1.2
213.05408	1.6
214.03349	0.4
229.04945	3.6
231.06540	0.7
241.04973	0.6
257.04425	2.0
258.05203	1.4
274.04874	0.5
285.03894	1.2
287.05487	100.0
288.05811	5.2
303.04980	68.3
304.05374	4.3
315.05136	0.6
329.06543	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1026
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
52.58764	0.7
53.56654	0.7
57.18909	0.7
61.02933	5.8
69.03423	1.7
70.44834	1.8
73.02926	1.6
85.02900	6.3
90.82021	0.7
91.03967	2.6
97.02893	3.2
109.02901	1.2
110.13244	0.7
111.00809	1.6
121.02851	1.4
127.03896	1.2
137.02333	5.3
139.40999	0.8
145.04944	0.9
153.01851	6.1
161.05879	0.7
165.01894	2.2
183.02882	1.7
201.03905	0.7
201.05457	3.3
224.75290	0.8
229.04903	7.1
242.25719	0.7
247.06134	0.9
257.04428	3.2
274.04718	0.9
285.03952	1.6
286.47604	0.8
303.04990	100.0
304.05334	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56258	0.5
51.81866	0.4
53.03938	0.5
61.02934	2.4
68.99791	0.7
69.03429	3.1
69.34742	3.0
69.35157	1.0
75.82363	0.5
81.03400	2.0
85.02434	0.6
85.02909	9.5
91.03973	1.3
92.73169	0.5
97.02905	2.8
109.02837	1.4
111.00813	1.3
121.02884	1.3
123.15593	0.5
125.79091	0.5
127.03925	0.8
137.02339	4.3
144.45071	0.5
145.04945	1.9
153.01813	4.7
163.03874	0.8
165.01859	2.3
173.06036	0.5
183.02864	0.8
201.05417	2.6
229.04910	5.8
257.04321	2.9
274.04608	0.7
277.78616	0.6
285.03961	1.6
303.04980	100.0
304.05331	5.2
333.83362	0.6
388.14584	0.5
392.60623	0.5
465.17307	13.7
466.17749	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54020	0.3
53.03930	0.3
55.01878	0.4
56.97916	0.3
57.03432	0.5
57.32382	0.3
58.48203	0.3
61.02915	0.9
68.99794	0.8
69.03426	1.6
71.04980	1.3
71.30804	0.4
73.02917	18.9
79.05479	0.7
81.03413	0.6
81.07050	1.6
85.02903	5.1
87.04472	2.3
91.03973	0.3
91.05484	0.4
93.07043	1.0
95.04950	0.3
95.08612	0.4
97.02911	1.6
99.04443	1.0
107.04959	0.5
107.08573	0.7
109.02867	0.6
111.00761	0.8
115.03920	1.1
117.05491	0.6
121.02867	0.9
123.04388	0.5
127.03921	0.6
131.04938	0.3
133.04956	1.4
135.04471	0.3
135.11635	1.8
137.02330	3.4
137.05974	2.2
145.04900	0.7
145.06519	0.3
149.02333	0.6
151.03900	0.6
151.07515	0.6
153.01814	4.3
153.12750	7.0
155.04897	0.5
161.05989	0.8
161.09602	0.3
163.03905	0.7
165.01869	2.2
167.07010	0.7
173.05998	0.8
181.08600	1.1
183.02904	1.1
187.03812	0.3
189.09082	0.8
201.05432	2.0
219.06432	0.3
229.04974	4.6
247.06009	0.8
257.04425	3.0
274.04672	0.8
283.09671	0.5
285.03897	1.5
285.11096	0.5
302.03937	0.3
303.04977	100.0
304.05289	4.8
315.05054	0.9
333.06079	0.3
346.40164	0.4
361.16467	0.8
465.17209	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1028
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03951	0.4
55.01881	1.4
55.05515	0.4
57.03441	2.1
57.07070	0.6
57.16285	0.2
59.04988	0.3
61.02929	5.4
65.03930	0.3
67.05498	0.6
68.99784	1.0
69.03428	3.7
69.07041	0.6
69.40428	0.7
69.40844	0.9
71.01359	0.5
71.04997	0.5
73.02921	2.2
79.05499	0.5
81.03419	1.5
81.07086	0.3
83.01311	0.3
83.04956	0.3
85.02905	10.1
85.06527	0.5
87.04454	0.5
91.03975	2.2
91.05485	0.5
93.07043	0.7
95.04962	0.8
95.08597	3.4
97.02891	4.2
97.06527	0.5
99.04437	0.6
99.08054	0.7
103.03931	0.4
105.07021	0.7
106.57063	0.2
107.04932	0.6
107.08578	0.5
109.02868	1.2
109.06499	0.6
109.10146	1.1
111.00802	1.1
113.09638	3.2
115.03917	1.0
119.08530	0.3
121.02890	1.4
123.04446	0.5
125.02329	0.6
127.03917	1.7
127.11176	0.9
131.04950	0.5
131.82306	0.3
132.26027	0.2
133.04979	1.8
135.11711	0.6
135.69791	0.3
137.02342	4.1
137.03375	0.5
137.09637	0.9
137.13249	0.4
143.03352	0.5
145.04878	1.3
145.06602	0.4
145.74640	0.2
148.07556	0.3
149.02377	0.6
151.03989	0.3
153.01817	5.2
153.12755	2.7
155.04932	0.3
155.10669	1.1
155.14281	0.6
161.06004	0.7
163.03896	0.9
165.01843	2.7
171.13791	1.5
173.05989	0.6
181.04916	0.4
183.02942	1.2
183.04366	0.4
187.03848	0.3
191.03424	0.4
195.02849	0.3
195.95317	0.3
201.05486	2.3
205.04962	0.4
211.04007	0.4
213.14977	0.3
219.06522	0.5
223.06047	0.3
224.58952	0.2
229.04950	5.6
230.05391	0.5
247.06003	0.8
249.14801	0.4
257.04483	3.3
274.04706	1.1
285.03964	1.3
286.04846	0.3
303.04980	100.0
304.05310	5.2
315.05008	1.6
327.04892	0.4
341.06409	0.3
345.05972	1.6
369.06155	0.7
423.51654	0.3
429.08109	0.5
447.09113	0.5
465.10397	0.6
465.17148	0.7
465.22501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1029
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03937	0.6
55.01865	0.6
57.03413	0.8
59.88676	0.3
61.02930	5.3
68.99776	0.5
69.03447	1.7
69.59624	1.3
73.02908	1.3
77.16486	0.3
81.03416	0.7
85.02918	6.0
91.03968	2.2
93.07036	0.3
97.02896	3.5
99.04433	0.5
105.07052	0.4
107.08568	0.3
109.02879	1.1
111.00816	1.1
115.03947	0.4
121.02863	1.0
123.04498	0.6
127.03893	2.0
135.11688	0.7
137.02332	3.9
137.05966	0.6
137.54659	0.3
145.02837	0.8
145.04890	0.9
149.02335	0.5
153.01839	5.1
153.12735	1.2
161.06058	0.5
163.03828	0.3
165.01830	2.7
166.02637	0.5
171.13731	0.6
173.05974	0.5
177.05479	1.0
182.15323	0.4
183.02907	0.8
183.04393	0.6
187.03944	0.4
191.03470	0.5
201.05490	2.0
205.05026	0.4
219.06511	0.4
228.04312	0.4
229.04962	4.9
247.05997	0.8
257.04462	2.9
274.04706	0.6
285.03979	1.7
303.04984	100.0
304.05362	5.1
315.05106	1.3
345.06046	0.9
365.41074	0.4
369.06339	0.5
465.10489	0.4
465.16928	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1028
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
55.01867	0.4
65.03942	0.4
67.01860	0.2
67.05494	0.4
68.98793	1.6
68.99788	0.9
69.03421	0.6
81.03407	0.5
83.04971	0.2
85.02874	0.2
87.61536	0.1
90.81503	0.1
91.05457	0.2
93.03423	0.7
95.04963	0.6
96.51954	0.1
97.02903	0.3
103.05467	0.2
105.03391	0.3
107.04945	0.3
109.02872	0.7
111.00793	1.2
111.04443	0.5
113.77277	0.1
121.02876	1.3
121.06480	0.2
123.04434	2.7
127.03897	0.7
131.04909	0.2
135.04414	0.6
137.02339	4.4
137.03383	0.3
137.05991	0.6
139.03903	5.1
145.06441	0.4
146.06021	0.5
147.04390	0.3
147.06755	0.2
149.02359	0.7
149.05995	0.4
151.03915	1.9
153.01830	5.6
153.05418	0.9
154.02191	0.2
155.04890	0.2
159.06755	0.1
160.07655	0.3
161.05972	0.6
163.03932	1.6
165.01854	3.0
165.05527	0.8
166.02571	0.3
167.07146	0.2
173.05989	0.7
175.03914	0.2
177.05484	0.5
179.03377	0.3
183.02870	1.2
183.04402	0.3
184.07588	0.2
187.03929	0.5
189.05533	0.2
191.03416	0.4
195.02963	0.3
201.05487	2.7
205.04958	0.4
207.02811	0.2
213.05508	0.2
215.03378	0.2
217.08879	0.2
219.02942	0.3
219.06551	0.4
220.07559	0.3
221.08336	0.3
222.09050	0.3
223.02400	0.2
228.04207	0.3
228.56218	0.2
229.04958	6.2
230.05316	0.3
232.92841	0.2
233.08148	0.2
234.09171	0.7
236.10768	0.4
237.07875	0.2
239.03455	0.3
240.10135	0.2
246.09187	0.8
247.05914	1.0
249.07898	0.4
250.08690	0.4
252.06636	0.6
252.10219	0.2
253.07346	0.2
257.04456	3.6
258.04858	0.2
259.06323	0.2
262.08588	0.7
264.10184	1.0
265.07336	0.6
266.08224	0.8
267.08820	0.2
268.09610	1.0
271.06012	0.5
272.06848	0.2
274.04715	1.0
274.08676	0.5
275.05453	0.2
277.07095	0.2
278.08151	0.4
279.08643	0.3
280.09705	1.4
282.11255	0.3
285.03961	1.4
286.04306	0.2
292.09601	2.1
296.09058	0.7
298.10809	0.9
303.04977	100.0
304.05344	5.1
304.08975	0.2
310.10748	3.0
315.05026	0.3
327.13354	2.1
420.14514	1.0
430.12854	0.9
448.13947	3.4
455.92432	0.2
465.15936	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
65.03942	0.4
67.01860	0.2
67.05494	0.4
68.98793	1.6
68.99788	0.9
69.03421	0.6
81.03407	0.5
83.04971	0.2
85.02874	0.2
87.61536	0.1
90.81503	0.1
91.05457	0.2
93.03423	0.7
95.04963	0.6
96.51954	0.1
97.02903	0.3
103.05467	0.2
105.03391	0.3
107.04945	0.3
109.02872	0.7
111.00793	1.2
111.04443	0.5
113.77277	0.1
121.02876	1.3
121.06480	0.2
123.04434	2.7
127.03897	0.7
131.04909	0.2
135.04414	0.6
137.02339	4.4
137.03383	0.3
137.05991	0.6
139.03903	5.1
145.06441	0.4
146.06021	0.5
147.04390	0.3
147.06755	0.2
149.02359	0.7
149.05995	0.4
151.03915	1.9
153.01830	5.6
153.05418	0.9
154.02191	0.2
155.04890	0.2
159.06755	0.1
160.07655	0.3
161.05972	0.6
163.03932	1.6
165.01854	3.0
165.05527	0.8
166.02571	0.3
167.07146	0.2
173.05989	0.7
175.03914	0.2
177.05484	0.5
179.03377	0.3
183.02870	1.2
183.04402	0.3
184.07588	0.2
187.03929	0.5
189.05533	0.2
191.03416	0.4
195.02963	0.3
201.05487	2.7
205.04958	0.4
207.02811	0.2
213.05508	0.2
215.03378	0.2
217.08879	0.2
219.02942	0.3
219.06551	0.4
220.07559	0.3
221.08336	0.3
222.09050	0.3
223.02400	0.2
228.04207	0.3
228.56218	0.2
229.04958	6.2
230.05316	0.3
232.92841	0.2
233.08148	0.2
234.09171	0.7
236.10768	0.4
237.07875	0.2
239.03455	0.3
240.10135	0.2
246.09187	0.8
247.05914	1.0
249.07898	0.4
250.08690	0.4
252.06636	0.6
252.10219	0.2
253.07346	0.2
257.04456	3.6
258.04858	0.2
259.06323	0.2
262.08588	0.7
264.10184	1.0
265.07336	0.6
266.08224	0.8
267.08820	0.2
268.09610	1.0
271.06012	0.5
272.06848	0.2
274.04715	1.0
274.08676	0.5
275.05453	0.2
277.07095	0.2
278.08151	0.4
279.08643	0.3
280.09705	1.4
282.11255	0.3
285.03961	1.4
286.04306	0.2
292.09601	2.1
296.09058	0.7
298.10809	0.9
303.04977	100.0
304.05344	5.1
304.08975	0.2
310.10748	3.0
315.05026	0.3
327.13354	2.1
420.14514	1.0
430.12854	0.9
448.13947	3.4
455.92432	0.2
465.15936	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01881	0.4
55.32488	0.3
57.03427	0.4
61.02900	0.4
69.03433	4.2
69.53166	0.3
70.36143	0.9
73.02917	5.5
81.03411	3.4
85.02915	2.0
87.04495	0.6
89.03922	6.7
91.05488	1.3
93.07069	0.5
97.02898	1.1
99.04486	0.4
103.05507	0.4
105.07037	0.5
106.04170	0.7
107.04945	0.6
107.08620	0.4
109.02869	1.7
111.00809	0.3
117.03381	20.8
118.03675	0.4
123.04418	0.9
124.05271	0.5
127.03919	32.2
128.04256	0.6
129.07010	0.4
134.03598	1.9
135.04413	1.2
135.11720	0.4
137.02371	0.6
137.05951	1.2
145.02849	51.2
146.03210	1.7
147.04448	0.7
149.05983	8.0
150.06308	0.4
151.03918	0.6
151.07518	0.5
153.01807	1.1
153.05447	0.4
155.07089	0.4
157.06439	0.3
161.05959	1.2
162.03149	0.4
163.03896	0.9
163.07516	0.6
165.01825	0.4
167.07053	1.7
177.05470	100.0
178.05823	4.5
181.08568	1.8
186.05479	0.5
189.09033	1.7
195.06512	1.0
201.05475	0.7
207.10165	0.5
229.04912	1.1
243.06206	0.4
257.04376	0.8
285.11307	0.9
303.04999	22.0
303.08438	0.9
304.05170	1.2
317.13843	0.5
321.09741	5.6
339.10767	2.8
343.15485	0.6
360.15509	0.6
361.16315	2.2
465.17630	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01870	0.5
55.05521	0.8
57.03441	0.4
61.02925	0.4
63.02377	0.8
69.03435	4.5
73.02934	0.7
78.04726	0.8
79.05498	1.6
81.03435	1.6
83.08636	0.5
85.02900	2.7
89.03922	9.3
91.05484	1.5
93.07050	3.7
94.07375	1.8
97.02325	0.5
97.02913	1.3
98.03266	0.4
100.11263	2.0
103.05466	0.3
106.04176	0.8
107.08601	1.3
108.08943	0.4
109.02879	0.8
115.03947	0.9
117.03381	24.0
118.03733	0.8
121.06485	0.4
127.03918	47.9
128.04277	1.5
133.04991	1.0
134.03621	2.0
135.04414	0.8
135.11722	1.3
136.12042	1.1
145.02849	52.4
145.87155	0.4
146.03189	2.3
149.05994	8.6
153.77606	0.4
162.51881	0.4
163.03929	0.5
177.05470	100.0
178.05821	4.4
182.15395	0.9
186.05576	0.5
191.97372	0.4
195.06497	0.9
224.21286	0.4
229.11931	0.4
240.51474	0.4
261.07474	0.6
287.05313	0.7
303.05057	1.8
321.09644	2.9
339.10641	1.1
401.30209	0.6
455.82965	0.4
464.33398	0.7
464.83896	2.8
465.33466	1.5
465.83484	0.6
494.02515	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95916	0.7
53.03861	0.7
55.01781	0.8
55.02008	0.7
55.05371	7.3
55.05674	5.7
57.06975	0.7
57.07216	0.7
67.05350	4.3
67.05731	1.9
69.06934	1.4
69.07269	0.7
69.38665	3.2
71.04895	0.8
79.05323	2.2
81.06891	4.3
81.07401	1.1
81.94528	0.7
83.04811	12.9
83.05367	3.3
83.08498	1.1
84.09039	0.7
85.06398	1.1
85.22732	0.7
91.05318	4.6
91.05922	1.4
93.06864	7.1
94.07259	0.7
95.04803	1.9
95.05314	0.6
95.08432	7.9
95.09075	1.4
96.08794	0.9
105.06847	6.6
107.08416	5.5
109.06394	1.4
109.09949	2.6
111.04243	2.2
111.07900	2.4
115.05315	0.7
117.06837	2.8
119.08391	8.2
121.06376	1.2
121.09957	2.8
123.07909	2.5
123.11540	1.0
125.09515	1.2
127.07389	0.7
128.06055	1.0
129.06816	1.9
131.08371	4.5
133.06389	0.7
133.09932	4.1
135.07903	1.5
135.11501	2.1
137.05824	0.7
137.09508	0.7
139.07430	0.8
141.06857	1.2
142.07574	1.8
143.08359	4.7
144.09096	0.6
145.10107	4.6
147.07884	2.1
147.11507	3.0
147.14648	0.6
149.09471	1.4
155.08571	6.0
156.09113	1.5
157.06409	0.7
157.10152	6.5
158.10318	1.9
159.07933	1.6
159.11697	4.8
160.11890	1.1
161.09436	2.6
161.13150	1.3
163.11121	0.9
165.06819	0.8
167.08432	1.6
169.10100	5.1
170.10515	0.7
171.07828	1.2
171.11700	4.3
172.08653	0.6
173.09512	1.7
173.13081	1.9
175.11087	1.3
175.14720	0.6
179.08372	1.6
181.10112	3.1
181.11366	0.6
181.13893	0.6
182.10660	1.4
183.11720	5.0
184.12126	0.9
185.09537	1.4
185.13213	3.0
186.13683	0.8
187.11084	1.5
187.14636	0.9
189.12611	1.9
192.09261	1.3
193.09959	2.9
193.11827	0.9
194.10457	1.2
195.11716	4.0
196.12169	1.5
196.67108	0.7
197.09509	1.1
197.13315	3.5
199.11115	1.4
199.14690	1.8
201.12579	2.1
203.14345	0.7
205.09981	0.7
206.10553	1.0
207.11674	3.7
208.12085	1.8
209.13266	4.8
210.13722	1.3
211.11032	1.2
211.14668	2.0
213.12630	1.4
215.10573	0.7
215.14268	0.7
217.12038	0.9
219.11711	1.2
219.13658	0.8
220.12228	1.0
221.09508	0.9
221.13130	2.7
222.13760	1.1
223.11208	1.1
223.14954	3.0
224.15186	1.0
225.12646	1.9
225.16205	1.0
227.10614	1.3
227.14279	1.6
228.04126	9.1
229.12239	0.7
229.15808	1.0
233.13147	0.9
233.15283	1.0
234.13628	0.8
235.11005	1.2
235.14661	2.3
236.15141	0.8
237.12721	1.0
237.16277	1.9
239.14247	1.8
239.17821	0.7
241.12186	1.1
241.15771	0.8
243.13872	0.8
245.13089	0.8
245.15337	1.4
247.14587	1.4
247.16801	0.8
249.12694	1.0
249.16191	1.4
250.13072	0.8
251.14185	1.8
251.17824	1.0
256.03656	14.6
257.15381	1.1
259.16949	0.9
261.16376	1.3
262.13556	0.7
263.14096	0.8
263.17822	1.3
265.15790	1.7
267.13773	1.3
267.17319	0.7
269.15222	2.2
271.02298	3.3
271.16812	0.9
275.17819	0.7
277.15619	0.9
279.17514	1.4
283.02298	5.0
283.16492	0.7
284.03152	33.2
285.03503	1.2
291.17432	0.8
297.18356	1.0
299.05496	100.0
300.05896	6.1
303.04907	1.8
303.61761	0.7
305.18863	1.4
307.16959	1.4
307.20496	1.7
309.18430	0.8
323.20126	1.5
324.20438	0.9
325.21445	2.9
333.22189	0.7
347.20242	0.9
351.23560	0.8
359.23877	0.8
366.25473	1.3
367.18777	1.3
381.09668	64.5
382.10037	4.6
383.10904	0.7
387.23114	0.8
405.28104	1.2
411.27243	0.8
419.29553	1.1
429.28757	3.2
447.30029	6.5
464.29141	2.8
465.16141	1.3
465.30075	23.1
466.30652	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
53.56633	0.3
55.05512	77.8
56.05852	1.4
57.69345	0.3
66.79273	0.3
68.93340	0.3
74.02331	0.3
81.07078	0.6
83.04982	100.0
84.05315	1.8
91.05485	0.7
93.07051	0.7
95.08641	0.4
105.07034	0.8
107.08559	0.4
131.08554	0.4
137.05960	0.5
140.06381	0.3
143.08493	0.4
145.10146	0.4
155.08557	0.3
157.10114	0.5
165.06943	0.5
169.10168	0.4
171.11740	0.4
179.08522	0.5
183.11664	0.5
193.06407	0.3
195.11655	0.5
199.14775	0.4
205.06422	0.7
209.09598	0.4
219.08192	0.7
222.06938	0.4
223.07364	0.4
233.05933	0.4
234.06860	0.4
235.07549	0.9
236.08260	0.5
237.05376	0.4
237.09201	0.6
239.07057	0.6
240.04047	0.4
246.06879	0.4
247.07591	1.0
248.08249	0.5
249.05611	0.9
249.09102	0.6
250.06337	1.0
251.07050	1.0
252.07826	0.8
253.08684	0.3
255.54518	0.4
262.06342	0.7
263.07040	1.3
264.07870	1.1
265.05170	0.4
265.08630	1.9
266.05716	0.6
267.06638	0.9
274.06125	0.4
275.06982	0.9
276.07776	0.8
277.04935	0.9
277.08444	1.0
278.05768	0.8
279.06567	1.0
280.07291	1.1
281.08212	0.4
282.05206	0.4
283.06021	2.3
284.06427	0.5
286.04694	0.4
289.05023	0.7
291.06573	1.7
292.07324	1.6
293.04651	0.6
293.08087	2.6
294.08774	0.6
295.06277	0.6
295.09705	1.9
297.03979	3.0
297.07391	0.8
303.06430	0.8
304.07339	1.9
305.08142	0.9
306.05316	0.8
306.08759	0.7
307.06003	1.8
307.09674	2.5
308.06744	0.9
309.07562	1.9
309.10968	0.6
309.22122	0.4
310.04871	0.5
310.08173	0.5
311.05606	0.9
312.06195	0.9
317.04489	0.4
318.05267	0.7
319.06110	0.9
320.06876	0.9
321.07562	3.5
321.14813	0.6
322.08374	1.3
323.05624	0.7
323.09128	2.6
325.07080	2.0
325.10822	1.4
326.07822	0.8
327.08652	0.9
332.06708	0.8
333.07565	2.6
334.08469	2.0
335.05469	1.3
335.09204	2.6
336.09671	0.4
337.07062	0.8
337.10770	0.9
338.07855	0.7
339.08676	1.3
341.10239	0.6
347.09219	0.4
349.06958	0.7
349.14404	0.7
350.07736	2.6
351.08652	2.9
352.09323	0.6
353.06516	0.9
353.10306	3.9
354.10648	0.5
355.11826	1.2
357.09711	1.0
365.10193	16.6
366.10672	1.8
367.08167	0.7
368.08829	1.0
377.14059	1.9
381.09805	1.3
383.11255	15.0
384.11539	1.0
395.15018	1.1
405.13663	0.4
435.13910	0.4
437.15897	0.6
447.14731	0.5
447.29013	0.7
465.15463	14.2
465.29523	1.5
466.15622	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
58.49382	0.6
59.95757	0.6
65.03934	2.1
66.73169	0.7
67.05500	1.5
68.99780	2.4
69.03424	4.0
69.77641	0.6
79.05473	1.2
83.04960	1.5
85.02894	0.8
87.04339	0.6
90.01543	0.6
93.03394	0.9
95.04961	3.4
97.02867	1.5
105.06964	0.6
107.04974	1.3
109.02882	1.2
111.00787	1.6
111.04455	4.1
118.06536	1.2
121.02885	1.9
123.04443	10.8
125.05993	1.3
127.03901	2.1
130.06526	1.6
132.04449	0.7
135.04408	1.9
137.02368	4.2
137.05981	2.7
139.03894	62.1
140.04239	1.4
141.05435	0.7
146.06026	5.5
147.04388	1.8
147.06799	3.0
148.07558	1.0
149.06035	0.8
151.03888	17.7
153.01797	5.5
153.05460	8.1
158.06015	1.0
159.06783	2.8
160.07605	4.2
161.06015	1.3
163.03897	7.6
165.01816	3.2
165.05492	8.4
167.07074	2.0
175.03836	2.2
177.05453	2.5
181.04924	1.5
181.06442	0.9
183.02863	0.7
184.07562	2.4
192.08073	0.9
193.04869	0.8
193.08717	0.8
196.07625	1.1
201.05423	2.1
204.08209	0.7
206.09724	1.1
207.06607	1.0
208.07521	0.8
211.07597	1.0
218.09630	2.3
219.02916	0.8
219.06424	1.1
220.07542	5.3
221.08339	2.4
222.09087	3.1
224.07251	0.8
229.04941	6.2
231.06699	0.8
232.07417	1.0
233.08282	1.4
234.09126	9.6
235.09889	1.4
236.07101	2.6
236.10626	4.6
237.07759	1.9
238.08528	1.5
240.10220	2.4
245.08302	1.2
246.09157	13.0
247.06001	1.5
247.09749	1.3
248.07118	2.4
249.07790	4.9
250.08664	5.7
251.09248	0.8
252.06569	6.9
252.10217	2.0
253.07260	1.9
254.08310	1.7
254.11528	0.9
257.04462	3.1
257.08133	0.8
259.06186	0.9
260.07004	1.4
262.08600	7.4
263.09372	3.7
264.06223	0.7
264.07181	0.9
264.10165	11.6
265.07300	6.9
265.10165	1.1
266.08105	11.3
267.08786	3.5
267.11383	1.5
268.06467	0.9
268.09674	12.3
270.11240	2.4
271.06067	1.8
272.06860	1.0
273.07800	1.0
274.08563	11.9
275.09250	2.6
276.06952	1.1
276.10040	1.2
277.07309	2.8
278.08069	4.4
279.08804	4.8
280.09656	16.1
281.10028	0.9
282.11121	4.8
285.03876	2.2
285.12381	1.1
286.08652	1.4
289.07275	0.9
290.08148	1.2
291.08990	1.0
292.09650	28.1
292.12918	1.3
293.09921	1.5
295.08374	1.6
296.09213	6.2
297.09872	1.8
298.10748	10.4
303.04971	100.0
304.05338	6.0
304.09668	2.8
310.10712	43.4
311.11060	3.0
322.10736	1.7
327.13373	26.9
328.13644	1.6
402.13367	0.9
412.11526	1.4
420.14389	12.6
420.19583	1.3
421.15045	1.3
430.12839	13.1
448.13858	40.1
449.14230	2.6
464.94928	0.7
465.16339	5.5
466.17172	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1653
Annotation	Chaetomugilin B
Peak:m/z	Relative Intensity
51.02360	1.1
53.03938	1.9
53.70022	0.8
55.01870	2.2
55.57445	1.0
65.03929	2.2
67.05502	2.6
68.99787	3.2
69.03432	6.8
70.75777	2.0
77.03947	1.0
79.05473	2.0
79.99371	1.0
81.03415	1.6
81.07074	1.1
83.04985	2.4
85.02888	3.0
91.05480	2.2
93.03395	1.5
95.04969	6.1
97.02914	4.8
101.27068	0.9
103.05479	0.9
105.03383	1.9
105.07068	1.1
105.14760	1.0
107.04967	3.8
109.02870	2.2
111.00799	1.5
111.04449	7.2
117.07045	0.9
118.06555	2.7
119.04952	1.6
121.02869	3.3
121.06526	2.2
123.04427	55.6
125.05997	1.3
127.03911	8.9
128.61159	0.9
130.06557	1.2
131.04895	1.9
135.04398	8.2
137.02330	1.5
137.05972	15.0
139.03897	100.0
140.04283	2.6
144.08069	23.1
146.06000	9.6
147.04391	5.1
147.06779	4.6
148.07532	2.2
149.02325	1.4
149.05995	7.5
151.03903	42.5
151.07576	1.4
152.04208	1.5
153.01831	1.4
153.05452	18.3
153.06757	1.6
155.08412	1.1
158.05998	3.1
159.04335	1.0
159.06816	4.6
160.07579	2.4
161.05943	2.8
161.10760	3.5
163.03911	19.1
165.01868	2.2
165.05472	18.3
167.03418	1.6
167.07059	4.9
167.08331	1.1
172.07602	1.2
175.03963	3.4
177.01819	3.6
177.05481	3.7
179.03404	3.7
179.07021	2.5
181.04936	4.3
181.06406	1.8
184.07573	3.0
189.05417	2.4
191.03397	2.7
191.07069	2.2
192.08034	1.2
193.04947	2.6
195.02853	2.2
201.05467	2.3
203.03409	1.4
205.04890	2.1
205.08919	1.7
206.09607	3.2
207.06697	2.2
208.07654	1.4
208.11269	1.3
209.05977	2.2
211.07509	1.8
212.10678	2.3
217.08868	1.8
218.09621	3.6
219.02922	2.7
219.06398	1.6
219.08215	1.4
219.09930	1.3
220.07568	9.8
221.08270	3.8
222.09055	5.2
223.02364	4.4
228.07895	1.3
229.04904	2.2
231.06685	1.4
233.04486	2.6
233.08296	2.4
234.09102	11.8
235.07690	1.0
235.09727	2.3
236.06990	3.6
236.10675	7.4
237.07655	5.2
238.08488	2.8
240.10210	5.6
244.07512	2.3
245.08479	1.5
246.09145	17.5
247.06221	2.3
247.09802	2.1
248.07114	3.2
248.10559	1.9
249.07825	7.3
250.08681	8.4
251.09268	2.1
252.06505	9.5
252.10269	6.3
253.07130	4.6
254.08090	3.7
255.08859	1.9
257.04565	1.3
259.06241	1.7
260.07089	1.4
261.04004	1.2
261.08035	1.2
262.08649	13.4
263.09393	5.5
264.07321	1.4
264.10175	14.1
265.07300	12.2
266.08105	14.7
267.08881	7.1
268.06683	1.5
268.09647	24.2
269.10138	1.2
270.11356	5.3
271.06000	17.3
272.06723	7.8
273.07532	1.7
273.11136	1.9
274.08630	12.3
275.09320	5.0
276.06616	1.6
277.07242	3.0
278.08112	8.2
279.05075	4.8
279.08820	7.9
280.09677	29.2
282.11240	7.1
285.12192	1.5
290.08124	2.6
291.08853	2.1
292.09647	32.8
293.09995	1.5
295.08298	1.4
296.09201	13.9
297.06204	2.1
297.09497	1.3
298.10776	20.3
303.04971	32.6
303.13052	1.1
304.05222	1.7
304.09686	2.9
307.04620	1.2
308.09116	1.3
310.10730	52.8
311.11133	3.2
313.11725	1.4
322.10733	3.3
325.05634	4.6
327.13348	30.9
328.13538	1.8
329.10165	1.7
333.15002	1.7
384.12656	1.3
402.13351	1.5
412.11575	1.4
420.14401	29.4
421.14713	3.1
429.08200	1.3
430.12814	21.6
431.13074	1.8
447.08981	1.2
448.13892	77.4
449.14111	6.8
465.13831	6.8
465.18936	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03899	0.6
69.03434	1.0
79.05489	0.8
85.02912	1.9
89.23890	0.6
91.05451	0.8
97.02940	0.9
98.22555	1.2
105.07037	0.8
107.04959	2.4
109.06409	0.6
109.10088	0.7
123.04441	1.0
123.76590	0.8
127.03947	1.1
139.03876	3.2
140.04686	0.9
145.04988	1.0
146.05997	1.8
148.07555	1.0
151.03867	1.7
155.10762	0.7
159.06711	0.7
160.07596	1.1
162.05481	1.4
163.03801	0.6
165.05524	1.5
167.07057	2.1
171.06511	0.7
174.05479	1.3
181.04959	7.2
185.04227	3.1
193.04924	2.1
197.08147	1.2
223.06032	3.0
243.08801	3.9
244.09599	1.9
280.09702	0.9
285.11057	0.8
298.10791	1.2
303.04999	3.6
303.12018	69.3
304.12439	2.5
305.31882	0.8
327.13504	1.5
378.15256	2.0
379.16083	1.2
405.15860	1.4
419.55627	0.8
448.14197	1.6
465.17276	100.0
466.17487	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1733
Annotation	Icariside A5
Peak:m/z	Relative Intensity
65.03899	0.6
69.03434	1.0
79.05489	0.8
85.02912	1.9
89.23890	0.6
91.05451	0.8
97.02940	0.9
98.22555	1.2
105.07037	0.8
107.04959	2.4
109.06409	0.6
109.10088	0.7
123.04441	1.0
123.76590	0.8
127.03947	1.1
139.03876	3.2
140.04686	0.9
145.04988	1.0
146.05997	1.8
148.07555	1.0
151.03867	1.7
155.10762	0.7
159.06711	0.7
160.07596	1.1
162.05481	1.4
163.03801	0.6
165.05524	1.5
167.07057	2.1
171.06511	0.7
174.05479	1.3
181.04959	7.2
185.04227	3.1
193.04924	2.1
197.08147	1.2
223.06032	3.0
243.08801	3.9
244.09599	1.9
280.09702	0.9
285.11057	0.8
298.10791	1.2
303.04999	3.6
303.12018	69.3
304.12439	2.5
305.31882	0.8
327.13504	1.5
378.15256	2.0
379.16083	1.2
405.15860	1.4
419.55627	0.8
448.14197	1.6
465.17276	100.0
466.17487	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	1.0
64.98785	0.6
69.03426	1.8
71.00233	0.8
71.00572	1.3
73.02927	1.4
82.99150	0.6
85.02892	4.0
86.07661	0.6
97.02879	1.9
109.02920	0.6
111.04349	0.7
112.27640	0.7
115.03934	0.9
115.05455	1.4
117.05761	1.0
118.06587	0.6
123.04443	3.7
127.03918	100.0
128.04257	2.2
132.08115	2.3
137.02354	1.2
139.03906	2.3
145.05043	1.3
146.05977	0.8
155.03358	1.0
160.07582	53.6
161.07927	1.7
163.03918	1.0
177.10263	6.6
180.98241	0.6
183.71385	0.7
189.32764	0.8
223.63249	0.7
257.04453	0.9
289.09174	3.2
296.09094	1.2
303.04990	10.0
430.13120	1.3
448.13907	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
55.01878	1.3
55.05522	1.7
57.03445	10.6
61.02924	1.1
63.17090	1.4
63.96030	1.1
67.05495	2.6
69.03444	3.7
69.07056	1.8
70.83070	1.1
71.04996	59.4
71.86834	1.0
72.05333	1.4
73.02908	2.6
75.04497	2.5
79.05490	1.6
81.03423	3.5
81.07045	2.7
83.04984	4.5
85.02907	100.0
86.03243	1.3
86.09718	2.9
87.04471	2.7
91.05478	1.6
93.07035	1.5
95.04950	2.6
95.08591	1.4
97.02901	13.4
97.06536	1.1
97.87212	1.1
99.04471	2.6
103.03939	4.0
105.07008	1.8
107.08599	2.0
108.08132	3.0
109.02872	6.2
109.06518	1.3
110.05981	1.1
111.04430	2.5
121.06502	1.4
122.06071	2.1
126.05509	1.8
126.09106	1.3
127.03906	10.3
129.05475	23.7
136.07596	5.0
137.02390	2.3
137.05975	1.9
138.05496	4.7
138.09131	2.0
140.07068	27.2
141.07359	1.2
145.04965	13.9
146.08151	2.0
146.10513	1.3
147.06538	8.4
152.07066	3.2
153.01834	2.6
153.05437	1.7
161.05984	2.3
163.06062	9.5
164.07071	6.7
164.09181	4.9
167.07071	1.4
173.06029	1.1
178.08672	4.6
181.04984	2.1
182.08127	39.9
183.08258	1.0
201.05540	1.1
203.14351	1.8
204.14639	2.1
206.08144	21.0
206.10054	1.7
210.12161	1.6
218.08257	1.3
219.08504	1.2
229.04988	3.0
232.14307	1.2
236.09192	3.1
248.09096	6.4
250.15263	4.6
257.04507	1.7
260.09348	1.1
266.10162	1.6
284.11359	3.4
285.12408	2.0
299.47641	1.0
299.85114	1.0
302.12360	8.8
303.04984	46.6
303.13196	3.5
304.05264	3.1
346.56979	1.4
395.21515	1.1
465.17349	9.3
466.20007	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.9
53.03947	1.4
55.01870	2.2
55.05515	1.9
59.04988	1.0
65.03941	1.2
65.84225	0.9
67.05498	4.4
69.03417	11.1
69.07072	3.6
69.45094	4.6
71.05000	1.0
77.03918	1.1
79.05492	24.2
79.05959	1.3
81.03419	1.1
81.07054	82.3
82.07404	2.0
83.04978	2.6
83.08678	0.9
83.36137	0.8
85.02901	1.3
91.05477	24.1
93.07050	10.3
95.04965	6.8
95.08598	4.8
97.02908	1.3
97.06519	1.6
98.23291	1.6
103.05482	2.4
105.03452	1.1
105.07027	22.6
107.04945	5.3
107.08605	8.4
109.06517	34.1
109.10155	1.4
110.06798	1.1
111.04407	2.6
111.08071	1.5
115.05448	5.9
116.06252	1.4
117.07014	18.1
119.04938	2.8
119.08578	14.1
121.06496	6.9
121.10170	3.8
123.04472	3.7
123.08070	6.6
128.06221	9.7
129.07001	16.0
130.07767	2.7
131.04910	5.1
131.08571	18.7
133.06471	7.5
133.10121	8.3
135.04405	4.9
135.08054	13.7
135.11673	1.3
137.05974	100.0
138.06291	3.9
139.07562	1.2
141.06989	13.3
142.07782	5.7
143.08545	24.1
144.09328	2.3
145.06496	7.3
145.10133	12.0
146.07260	1.5
147.04445	0.9
147.08041	10.7
147.11685	2.1
149.05966	2.1
149.09613	2.9
151.07617	2.2
153.05659	0.7
153.06992	3.4
154.07747	9.1
154.31046	0.8
155.06003	0.9
155.08539	27.9
156.09335	4.0
157.06503	1.8
157.10123	11.9
157.91136	0.7
158.07228	1.6
159.08069	7.0
159.11667	10.0
160.08771	1.2
161.05962	2.1
161.09610	7.6
161.13275	1.4
163.03943	1.1
163.07515	4.7
163.11211	1.1
165.05516	2.0
165.07004	4.3
166.07750	2.4
167.07129	1.4
167.08577	6.4
168.09311	2.9
169.06468	2.0
169.10123	21.2
170.10709	1.5
171.08031	6.8
171.11697	6.1
172.08786	4.3
173.06058	1.2
173.09624	15.0
173.13255	1.2
174.06639	1.1
174.10207	1.6
175.07561	5.9
175.11153	4.2
177.09056	1.2
177.12761	1.4
178.07878	1.7
179.07021	6.9
179.08554	7.5
180.09348	2.3
181.06461	0.9
181.10100	7.4
182.07367	0.8
182.10902	1.6
183.08075	3.1
183.11696	10.6
184.12416	1.1
185.09631	7.4
185.13223	4.2
187.07513	1.7
187.11172	31.9
188.08391	1.4
188.11624	1.2
189.09123	10.6
189.12726	6.5
191.07028	1.9
191.08585	1.3
192.09363	5.3
193.10069	4.4
194.10904	5.1
195.08032	2.8
195.11664	5.8
196.08806	1.2
197.09627	6.7
197.13271	6.8
198.10313	1.9
199.11128	4.6
199.14824	3.9
201.09061	2.6
201.12781	3.1
203.07034	1.9
203.08878	0.9
203.10680	3.6
203.14310	2.4
205.08530	1.7
205.10329	1.9
205.12256	3.2
206.10934	2.4
207.09862	1.0
207.11696	12.4
208.08786	1.2
208.12389	2.5
209.09599	3.4
209.13246	10.5
210.10341	2.4
210.13721	0.9
211.11163	4.9
211.14771	1.9
212.11780	0.9
213.09084	5.3
213.12717	3.3
213.16302	0.8
215.10626	3.6
216.07672	1.1
217.08522	5.2
218.09244	4.6
219.10161	2.5
219.11905	1.5
220.12299	1.1
221.09651	1.1
221.13240	5.3
222.13930	0.9
223.11195	3.4
223.14861	2.4
225.09122	2.1
225.12727	13.1
225.16406	2.5
226.13144	1.9
227.10808	1.7
227.14302	26.0
228.14708	1.8
229.12180	4.9
230.10927	1.0
231.10081	15.9
232.10289	1.1
232.12502	1.1
233.11740	2.7
234.10310	1.5
235.11221	1.6
235.14754	1.8
236.11942	1.4
237.12643	1.8
239.10663	1.5
239.14317	3.1
241.12187	1.6
241.15999	2.8
243.17587	1.6
246.14136	1.0
247.11147	1.2
247.13251	15.5
249.12808	4.1
251.10670	2.2
251.14253	2.3
253.12206	1.4
257.11649	0.9
259.11011	1.1
261.12817	2.0
263.14252	1.3
265.11935	1.0
265.15781	1.4
267.13824	4.5
268.14615	1.1
269.12070	1.2
269.15408	4.6
273.12671	0.9
275.14258	1.0
277.15854	1.5
281.15311	1.2
283.13577	1.2
285.14996	1.2
287.16748	1.1
289.15747	1.5
291.13632	1.1
295.13641	1.5
295.16855	1.9
309.14990	1.6
311.16687	1.2
311.20001	1.4
341.18805	1.3
343.20761	1.1
355.18958	1.9
359.19836	2.0
361.21988	0.9
363.19464	1.0
369.18579	1.5
371.16302	1.0
377.21042	2.9
387.15350	1.2
387.19601	9.8
401.21011	2.2
403.22620	2.4
405.20587	83.1
406.20880	8.9
411.19571	0.8
419.22195	1.3
421.23685	9.8
422.23978	0.9
429.20560	3.1
447.21649	16.4
448.21774	2.1
463.46860	0.7
465.22876	11.4
465.29163	1.7
466.23093	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.5
55.01860	2.1
55.05502	2.6
65.03922	1.3
67.05503	5.1
68.99823	0.9
69.03427	12.2
69.07063	4.0
69.14347	7.3
79.05054	2.0
79.05493	22.1
81.03416	1.4
81.07058	80.1
82.07382	1.8
83.04986	2.3
85.02920	1.3
85.06562	1.2
91.05479	25.2
92.10475	0.9
93.07047	11.2
95.04964	9.1
95.08603	5.1
97.02922	1.4
97.06543	2.4
103.05458	2.5
105.03410	0.9
105.07029	23.0
107.04945	6.5
107.08585	8.0
109.02912	0.8
109.05767	2.0
109.06520	39.4
109.10184	1.6
111.04449	2.1
111.08099	1.9
114.78461	0.8
115.05466	5.4
117.07021	23.9
119.04944	3.1
119.08585	15.5
121.06504	9.0
121.10161	3.8
123.04442	2.6
123.08075	4.1
125.09653	1.0
128.06215	11.6
129.07025	15.3
130.07751	2.6
131.04974	4.5
131.08566	20.0
131.09494	1.8
132.08868	1.0
133.06485	8.1
133.10133	9.0
135.04407	6.2
135.08046	12.3
135.11696	1.6
137.02361	1.8
137.05980	100.0
138.06305	3.1
138.18526	0.9
139.07559	2.1
141.06999	11.4
142.07782	7.5
143.08569	23.0
144.09309	2.6
145.06499	7.2
145.10127	13.1
146.07277	2.1
146.10455	1.0
147.04332	1.1
147.05473	0.9
147.08032	10.6
147.11682	2.5
149.05960	2.2
149.09631	2.9
151.07541	1.6
152.06184	1.1
153.07024	4.6
154.07773	9.4
155.07205	1.9
155.08545	24.0
156.09317	3.2
157.06494	3.2
157.10132	13.2
158.07297	2.1
158.10646	1.1
159.08076	7.4
159.11714	13.2
160.08852	2.0
161.05991	3.7
161.09599	8.3
161.13315	1.5
163.07573	4.1
165.05571	1.5
165.07011	4.1
165.09232	1.4
166.07744	3.1
167.07179	1.6
167.08539	8.6
168.09424	4.3
169.06407	1.4
169.10132	21.8
170.10849	1.2
171.08073	7.4
171.11676	5.4
172.08853	4.0
173.09634	14.8
173.13319	1.8
174.06798	1.1
174.10382	1.8
175.07542	5.1
175.11290	4.4
176.08304	1.5
177.12766	1.8
178.07796	1.3
179.07047	8.1
179.08598	7.4
180.09337	3.1
181.06453	0.9
181.10139	8.3
182.10855	1.4
183.08102	2.8
183.11685	10.0
184.08922	1.0
185.09618	7.1
185.13246	4.4
186.10349	1.2
187.07576	1.8
187.11191	37.7
188.08344	1.0
188.11601	1.3
189.09116	13.0
189.12737	8.8
191.07063	2.6
191.08638	2.0
191.10529	0.8
192.09329	4.7
193.10121	4.7
194.10898	4.7
195.08092	3.3
195.11722	5.4
197.09683	5.0
197.13243	5.3
198.10289	1.5
199.11232	3.1
199.14830	6.0
201.09230	1.5
201.12737	3.4
203.06990	1.4
203.08803	1.3
203.10602	4.4
203.14349	2.4
205.08510	2.1
205.10258	1.9
205.12250	3.1
206.10832	1.9
207.11679	12.4
208.12202	1.4
209.09627	2.6
209.13260	10.2
210.10374	2.0
211.11177	6.6
211.14862	1.8
213.09129	4.8
213.12709	4.3
215.08830	1.0
215.10745	3.4
215.14186	1.0
216.07713	2.2
217.08635	4.0
217.12195	1.2
218.09178	4.5
219.10138	3.0
221.09668	1.3
221.13290	3.9
223.11200	3.9
223.14839	2.5
225.09206	1.6
225.12735	13.7
225.16339	2.0
226.13181	1.0
227.10718	2.6
227.14307	23.1
228.14824	1.1
229.08614	1.0
229.12259	5.4
231.10110	17.3
233.09758	1.1
233.11777	3.8
235.11409	2.1
235.14804	1.8
236.12079	1.2
237.09140	1.6
237.12727	1.7
239.10757	1.3
239.14346	4.6
240.14716	0.9
241.12262	2.0
241.15910	2.9
243.17462	2.7
245.13348	1.2
246.10361	1.3
247.11201	0.8
247.13275	22.3
247.15604	1.2
249.09218	1.2
249.12766	3.5
249.16519	1.1
250.13641	1.0
251.10782	1.3
251.14331	1.8
253.12332	1.5
259.14877	1.1
261.12738	1.2
263.14377	1.6
265.15808	1.2
266.13156	1.0
267.13840	4.7
268.14529	2.9
269.15378	5.5
272.15701	1.2
274.13516	1.1
277.15768	1.3
279.10455	1.0
279.13736	1.6
281.15405	1.3
283.17258	1.2
285.14908	1.3
287.16510	1.8
289.15869	1.3
291.13748	1.1
291.17075	1.1
295.16968	1.2
299.14447	1.4
301.15979	1.7
311.16760	1.5
311.19989	1.1
313.15894	1.0
317.18991	1.3
327.16782	1.1
341.19058	1.0
343.20541	1.3
347.16620	1.1
355.19064	1.8
359.19989	2.4
369.18692	1.4
373.17624	1.0
377.20892	2.9
387.19476	8.8
389.17715	0.9
401.21130	1.3
403.22812	3.6
405.20596	93.0
406.20895	7.6
419.22076	2.2
421.23679	10.7
422.24097	1.6
429.20547	3.5
447.21698	17.7
448.22040	1.8
465.22525	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36268	5.0
63.82281	4.7
69.00136	5.7
69.03427	15.0
69.58867	25.1
77.92407	6.8
79.05489	7.3
81.03410	7.0
81.07072	6.4
85.02898	50.1
86.03253	6.6
93.07038	11.1
95.08602	11.0
97.02893	13.0
105.07037	9.8
107.04944	7.7
107.08624	14.6
107.81124	5.0
109.02884	8.1
109.10154	15.4
127.03954	8.0
128.04257	6.5
135.11716	20.0
137.06003	8.9
145.05013	12.7
153.12735	35.6
163.06087	8.0
167.07027	23.4
171.06503	8.9
181.04971	50.2
197.08121	10.3
223.06007	23.0
253.13524	15.1
303.05020	75.7
303.11984	9.0
304.05176	9.6
308.84357	6.2
315.13400	7.6
337.10391	6.3
447.17612	11.8
465.17395	100.0
466.17813	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01866	0.9
57.03424	2.2
57.71922	0.5
59.04981	0.9
61.02926	6.1
61.78609	0.5
67.05498	1.7
69.03426	3.9
69.07082	0.8
69.37243	3.9
71.04977	1.2
73.02917	3.5
79.05539	0.8
81.03398	1.9
81.07072	1.0
83.40253	0.6
85.02424	1.0
85.02906	13.0
86.03226	0.8
91.03937	2.5
91.05457	0.8
93.07040	3.2
93.56299	0.6
95.04968	1.4
95.08619	4.6
97.02890	5.5
97.06506	1.2
98.03173	0.7
99.04465	0.9
103.05441	0.7
105.07014	1.6
107.08603	4.2
109.02870	2.2
109.06501	1.2
109.10133	4.5
111.00796	1.2
113.09623	1.3
115.03953	1.3
118.98281	0.8
121.02893	1.0
123.04416	0.8
127.03932	2.4
131.04912	1.1
132.05209	0.8
133.04979	2.6
135.04337	0.9
135.11703	7.8
137.02342	6.2
137.09592	1.7
145.04956	2.1
149.02391	0.9
153.01846	5.0
153.12737	17.8
155.04939	0.7
155.10664	2.2
161.06052	1.0
163.03954	0.8
163.07452	0.7
165.01855	2.7
171.13713	1.2
171.91025	0.6
173.06012	0.7
181.04970	1.4
183.02888	0.9
193.04886	1.0
201.05467	2.7
223.05997	0.9
229.04979	4.5
245.04398	0.7
247.06018	1.1
257.04584	2.9
274.04703	1.2
285.03998	0.8
303.04984	100.0
304.05350	8.3
315.04922	1.7
345.06015	1.3
465.17218	5.2
466.17972	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2613
Annotation	CHEBI:67690
Peak:m/z	Relative Intensity
55.05588	0.7
57.07137	0.2
67.05597	0.8
68.61754	0.2
69.03497	0.2
69.07128	0.4
69.29613	1.6
69.97884	0.2
79.05601	0.7
81.07072	1.0
83.05075	1.0
91.05595	1.4
93.07157	2.5
95.05087	0.2
95.08721	2.9
98.22621	0.4
105.03524	0.7
105.07159	2.0
107.08714	1.6
109.10143	1.0
111.04542	0.5
111.08132	0.4
114.02763	0.3
117.07090	0.4
119.08569	2.1
121.06625	0.6
121.10139	1.2
123.08159	0.6
123.11795	0.2
128.06313	0.3
129.07108	0.5
131.05014	0.2
131.08574	1.0
133.10138	1.4
135.08192	0.3
135.11812	0.5
137.06035	0.3
137.09711	0.2
139.07622	0.4
141.07082	0.3
142.07890	0.5
143.08571	1.3
145.10121	1.8
147.08174	0.5
147.11827	0.7
149.02449	0.5
149.09746	0.2
149.13266	0.3
155.08640	0.8
156.09439	0.7
157.10100	1.8
159.08173	0.4
159.11714	1.6
161.05902	0.3
161.09717	0.5
161.13370	0.4
161.50166	0.2
163.11320	0.2
169.10126	1.2
170.11072	0.3
171.11674	1.7
173.09731	0.7
173.13411	0.8
175.11340	0.3
179.08640	0.4
179.10674	0.3
180.09341	0.2
181.10265	0.6
182.10945	0.3
183.11667	1.0
185.09787	0.6
185.13222	1.0
187.11263	0.6
187.14964	0.6
189.12944	0.4
193.05153	0.3
193.10225	0.6
195.10310	0.2
195.11664	1.0
197.13412	0.9
198.65169	0.2
199.11223	0.5
199.14885	0.4
201.12918	0.5
203.10753	0.4
205.10193	0.3
206.11057	0.3
207.11833	0.6
208.12625	0.4
209.09856	0.3
209.13197	1.0
211.11269	0.4
211.14902	0.6
213.12909	0.6
215.14412	0.5
219.11928	0.2
219.13983	0.2
221.13455	0.5
223.11317	0.3
223.14986	0.8
225.12840	0.4
225.16335	0.3
227.14391	0.5
231.13985	1.0
233.13333	0.3
233.15472	0.5
233.82776	0.2
235.14940	0.5
237.07562	0.5
237.16454	0.5
239.14326	0.2
245.15530	0.6
247.14903	0.4
249.16586	0.3
250.19528	0.2
253.15950	0.3
257.15433	0.4
261.16327	0.3
263.17963	0.3
265.15802	0.4
267.13818	0.4
269.15427	0.4
271.16864	0.3
293.15161	0.7
297.18341	0.4
307.17230	0.3
307.20621	0.8
308.17581	0.6
323.19864	0.3
325.21564	1.4
351.23111	0.4
387.22958	1.6
389.20956	0.3
391.18732	0.9
405.23926	4.9
406.24384	0.5
407.21750	0.3
411.26895	0.3
419.29471	0.3
429.27808	0.7
447.24945	32.7
448.25262	3.6
465.25974	100.0
466.26297	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.261
Annotation	Pulcherrin A
Peak:m/z	Relative Intensity
55.05488	2.3
56.30215	0.5
57.11493	0.5
61.12906	0.5
65.03936	0.6
67.05485	2.3
67.80028	0.5
69.07050	1.5
71.04958	0.8
71.31456	0.9
79.05470	1.6
81.07034	2.4
83.04967	1.9
83.08597	0.7
91.05492	2.7
93.05660	0.6
93.07024	4.5
95.04947	1.3
95.08150	0.5
95.08601	5.7
97.06504	0.9
99.04441	0.9
105.03393	0.9
105.07047	3.2
107.08591	4.9
109.06528	0.7
109.10132	2.4
111.04462	0.9
111.08065	1.5
117.06979	0.7
119.08574	5.4
120.15103	0.6
121.06493	0.9
121.10149	2.6
123.08040	1.6
125.05898	0.5
128.06238	0.7
129.06981	1.2
131.08516	2.5
132.57516	0.5
133.10139	2.9
135.07967	1.6
135.11671	1.0
137.05995	0.7
139.07526	0.7
141.06976	1.1
142.07748	1.2
143.08566	3.3
144.09251	0.5
145.10136	3.8
147.07988	1.1
147.11655	1.7
149.05637	1.1
149.09561	1.1
155.08513	2.4
156.09251	1.0
157.10120	5.6
159.08064	0.6
159.11650	3.0
161.09581	0.9
163.11160	1.1
167.08560	0.8
169.10117	3.0
170.10811	0.8
171.11681	3.4
173.13188	1.6
179.08539	0.6
180.09189	0.8
180.83376	0.6
181.10066	1.5
182.10954	0.6
183.11726	2.8
185.13220	1.5
187.11165	1.3
191.10487	0.9
193.04881	0.5
193.10092	1.1
194.10799	0.7
195.11652	2.8
197.09555	0.6
197.13188	2.7
199.11095	1.2
199.14787	1.0
201.12721	0.9
207.11705	1.4
208.12373	0.6
209.09727	0.8
209.13266	2.7
211.11198	0.6
211.14777	1.6
213.12691	0.9
213.16264	1.2
220.12308	0.7
221.13324	1.1
222.13904	0.9
223.14804	1.9
225.12692	0.6
225.16280	1.4
227.14304	1.0
229.15875	0.6
233.13425	0.6
235.14853	1.3
237.12622	0.6
237.16302	1.7
239.14195	0.9
241.15887	1.2
247.14886	0.8
249.16368	1.1
251.14244	1.0
251.17892	0.9
253.15704	1.4
263.17935	1.1
265.19519	0.9
267.17432	1.0
269.19031	0.9
271.16858	0.9
279.17429	1.0
279.20868	0.7
281.18823	0.9
291.21069	0.9
297.18494	1.0
303.04831	0.8
305.18994	1.0
307.20474	2.5
309.22046	1.0
323.20065	0.7
325.21436	2.3
333.22031	1.0
351.23120	0.8
367.18750	27.0
368.19040	2.1
379.22571	0.9
387.22885	0.7
405.27902	1.0
419.29419	1.5
423.28781	0.9
429.27771	1.9
447.24799	9.4
447.29190	5.9
465.25867	100.0
466.26172	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.01871	2.2
55.05519	6.1
57.03434	1.4
57.07053	1.1
65.03931	1.5
67.05504	9.9
69.03424	4.1
69.07061	4.3
70.18459	2.5
71.04984	1.8
73.72324	1.0
79.05493	11.6
80.98392	0.9
81.03429	2.9
81.07055	13.1
83.04974	6.7
83.08615	1.8
84.40025	0.9
85.02911	0.9
85.06546	1.3
91.05483	24.0
92.05789	1.2
93.07043	17.4
95.04973	6.5
95.08605	11.3
97.02920	1.4
97.06539	2.2
97.10180	1.3
98.23247	1.6
101.52579	0.9
103.05460	1.8
104.65849	1.0
105.07032	25.3
106.07283	0.9
107.04991	3.1
107.08594	20.9
109.06525	5.1
109.10166	3.5
111.04440	4.6
111.08089	3.1
114.73151	1.0
115.05480	3.2
116.06208	1.0
117.07018	9.4
117.64504	0.9
119.08585	29.0
119.09444	1.4
121.02911	1.4
121.06512	6.9
121.10149	10.6
123.04370	1.7
123.08092	5.1
123.11668	1.6
125.05971	1.6
128.06209	3.0
129.07016	7.7
130.07782	4.3
131.08563	11.7
133.06525	4.7
133.10138	9.0
135.08052	9.7
135.11700	3.8
137.05988	2.8
137.09662	1.3
139.03952	2.4
139.07497	1.3
141.07001	3.4
142.07762	5.2
143.08559	11.1
145.06506	3.5
145.10114	20.3
146.10585	1.1
147.08040	15.0
147.11678	23.8
148.11971	1.8
149.05966	1.1
149.09631	3.3
151.03883	1.9
153.05499	1.0
154.07779	1.9
155.08549	7.6
156.09320	4.0
157.06493	1.1
157.10127	10.7
158.07294	2.7
158.10828	1.2
159.08078	7.5
159.11693	8.2
161.09666	5.0
161.13269	2.2
163.07588	2.1
163.11186	2.7
165.07013	3.7
165.09102	2.5
166.07639	1.8
167.08626	3.0
168.09320	1.5
169.06560	1.2
169.10130	6.6
170.10815	1.0
171.08044	7.3
171.11700	7.5
172.08830	2.0
173.09605	25.3
173.13260	5.2
174.10065	1.2
175.07602	2.8
175.11186	27.0
177.09105	4.1
179.08568	4.2
180.09366	1.7
181.10107	3.8
183.08064	2.4
183.11685	5.8
185.09590	5.8
185.13266	3.8
187.07629	1.1
187.11151	4.8
187.14766	1.4
189.09114	1.7
189.11276	1.2
189.12758	5.7
191.08672	1.3
192.09435	1.9
193.10167	5.9
193.12120	1.5
194.10887	3.0
195.08046	2.3
195.11716	8.1
196.08878	1.1
196.12395	1.3
197.09598	3.3
197.13293	4.9
198.13843	1.2
199.11212	3.5
199.14799	5.0
201.05426	1.1
201.09120	3.9
201.12766	2.4
201.16324	1.4
203.08604	1.1
203.10548	1.6
205.10098	1.4
206.10876	2.0
207.11708	4.9
208.12398	1.6
209.09671	3.3
209.13286	5.9
210.14136	1.0
211.11285	5.5
211.14847	4.2
212.11922	2.0
213.09151	1.0
213.12651	5.4
213.16328	1.3
215.10683	1.2
215.14311	2.1
217.10172	1.5
217.12196	1.1
218.10777	1.3
219.11702	2.6
221.09688	2.1
221.13258	3.6
222.10378	1.7
223.11215	5.4
223.14799	4.5
224.11815	1.1
225.12724	5.7
225.16377	2.2
226.13487	1.6
227.10677	1.7
227.14381	7.8
229.15845	6.0
231.11691	1.7
231.13789	1.6
233.13332	2.3
235.11223	3.3
235.14772	2.3
236.06084	1.0
237.12784	3.4
237.16461	2.2
239.10661	3.6
239.14349	3.7
241.12199	2.0
241.15923	2.4
243.11775	1.3
244.12498	1.3
245.13129	1.5
246.10397	1.2
247.11180	1.9
247.14781	2.5
247.56000	1.0
249.12697	1.5
249.16556	1.2
251.14214	2.5
253.12335	1.6
253.15891	4.4
255.13773	1.3
258.14169	1.3
261.12857	2.3
261.16379	2.4
263.14328	3.9
265.12418	1.4
265.15817	4.8
266.16449	1.2
269.15390	2.4
271.17209	1.9
275.14252	2.4
277.15948	1.4
279.13980	2.2
279.17126	1.2
281.15778	1.2
281.19022	3.3
289.15881	2.3
291.13821	2.3
293.15500	1.2
293.18771	1.2
303.04947	10.0
315.17508	1.1
319.17004	1.3
352.89252	1.1
383.23767	2.4
387.23145	1.2
393.22067	2.2
401.24963	6.5
403.22656	2.2
405.24075	1.3
411.23236	8.3
419.25830	1.5
429.24268	22.6
430.24637	1.6
447.25256	26.4
448.25549	3.1
465.12189	3.0
465.26324	100.0
466.26550	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59114	1.1
51.02389	1.1
53.03938	8.2
54.17995	1.0
55.01863	6.5
55.05512	43.1
57.03442	26.5
57.07072	3.2
59.05002	1.3
65.03944	5.9
67.05507	100.0
69.03437	6.0
69.07066	26.7
69.07421	2.2
69.55448	3.7
69.55852	2.5
71.01361	6.0
71.04995	12.0
77.03965	1.2
79.05494	95.5
80.05864	1.5
81.03420	80.4
81.07059	68.2
82.03748	1.7
82.07408	2.2
82.39449	1.2
83.04982	32.7
83.08620	31.3
85.02910	41.1
85.06538	6.4
91.05482	68.0
92.05813	1.3
93.07048	92.2
94.07371	2.5
95.04972	52.8
95.08614	27.8
97.02925	3.8
97.06535	21.0
97.10176	19.0
97.64362	1.1
98.48182	1.1
99.04478	2.3
99.08115	2.5
103.05405	1.7
104.97983	1.1
105.04533	5.0
105.07030	42.4
107.04962	10.1
107.08597	59.5
109.06510	11.3
109.10156	12.9
111.04458	4.8
111.08085	18.2
113.06031	4.0
115.05486	2.9
117.07022	11.0
119.08580	34.7
121.06506	9.1
121.10155	17.2
123.08090	5.4
123.11717	3.9
125.05968	1.8
125.09653	6.2
126.02288	1.4
127.07624	1.2
128.06242	2.2
129.07007	15.5
130.07829	1.6
131.08563	17.0
133.06535	3.6
133.10139	22.1
135.08116	5.7
135.11694	65.2
136.12073	3.3
136.83749	1.3
137.09637	3.4
139.07541	2.3
142.07813	4.4
143.08598	5.0
145.10141	19.6
147.08095	4.6
147.11694	20.8
149.09633	7.9
153.12772	3.4
155.08549	2.8
157.10123	18.8
158.10640	2.0
159.08073	2.7
159.11743	2.9
160.71753	1.7
161.09671	3.4
163.11185	12.0
165.12808	3.8
167.07124	2.0
167.08527	2.4
169.10214	3.3
171.08173	1.6
171.11693	2.8
173.09663	3.8
173.13336	2.3
175.07758	1.3
175.11226	17.9
179.08585	2.5
179.10786	1.1
181.10223	3.1
181.12213	8.0
182.10861	1.4
183.11729	2.5
185.13292	2.4
189.11205	1.1
193.12244	77.0
194.10979	1.6
194.12624	2.5
195.11768	2.1
197.09642	1.4
197.13367	2.7
199.11229	1.4
203.10718	1.6
206.10843	1.5
207.11790	1.9
209.13278	3.8
211.13281	88.7
212.13716	3.6
221.13237	2.6
223.11336	1.3
225.12762	2.2
235.14963	1.6
239.14439	1.7
241.12314	1.4
247.14909	1.4
249.12787	1.7
251.14308	1.3
255.15941	6.7
257.15250	1.8
263.14682	1.3
267.15826	8.0
279.17572	1.6
285.16864	1.5
291.17557	1.4
293.15143	1.4
303.05115	3.9
329.21292	2.8
337.21780	1.5
355.22784	1.8
373.23779	4.1
403.24905	1.5
421.25928	1.3
429.24316	3.1
447.27014	8.0
465.28561	91.9
466.28894	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3
Annotation	Perovskone B
Peak:m/z	Relative Intensity
53.03948	0.7
55.01873	0.9
55.05509	6.6
57.03446	1.1
57.07071	1.6
65.03954	1.4
67.05505	13.0
69.03438	1.6
69.07063	7.2
69.34934	0.7
71.04994	1.3
78.18848	0.5
79.05487	6.8
79.26264	0.7
81.07057	12.4
81.07522	1.0
81.70273	0.7
82.07318	0.6
83.04984	6.3
83.08627	2.5
85.02916	2.0
85.06568	2.2
91.05482	11.9
91.06009	1.2
93.07040	19.6
95.04967	3.0
95.08604	29.7
96.08957	1.7
97.06543	3.7
98.22517	0.9
99.04445	1.3
101.86129	0.6
103.05469	0.7
105.07028	17.3
107.08593	15.3
109.06498	4.4
109.10157	8.7
111.04437	3.3
111.08083	5.8
113.06046	0.9
115.05445	1.1
117.03295	0.5
117.07014	5.0
119.08578	19.5
120.08920	1.0
121.06554	3.0
121.10141	9.9
123.08047	5.8
123.11737	1.9
127.07597	0.7
128.06248	2.7
129.07001	5.4
129.09146	0.6
130.07802	1.8
131.08560	11.7
133.06441	0.7
133.10118	10.7
135.08078	3.8
135.11705	3.6
137.09586	0.9
137.13271	0.7
139.07561	3.1
141.06963	5.0
141.09140	2.8
142.07761	6.1
143.08565	15.3
144.09244	0.9
145.06483	0.8
145.10112	11.3
147.08054	3.5
147.11705	5.6
149.02420	0.8
149.09639	1.5
153.07014	1.8
154.07776	2.0
155.08548	15.4
156.09386	4.1
157.10120	20.7
157.76059	0.7
158.10733	1.2
159.08078	3.6
159.11691	12.7
161.09596	6.3
161.13292	2.7
163.07582	1.2
163.11232	2.5
165.07062	2.1
165.09175	1.9
166.07768	1.4
167.08539	5.6
168.09352	3.6
169.10121	21.7
169.11491	1.2
170.10747	2.6
171.08160	0.9
171.11705	11.4
172.12325	0.9
173.09657	3.2
173.13257	5.5
175.07611	0.8
175.11191	3.2
175.14758	1.1
177.09032	1.1
178.07779	1.0
179.08525	5.1
179.10686	2.2
180.09390	2.5
181.10130	11.3
181.12325	1.5
182.10944	3.6
183.08109	1.5
183.11679	19.3
184.12367	1.5
185.09647	4.0
185.13232	7.3
185.14484	0.6
187.11189	3.5
187.14854	2.0
189.12738	4.2
191.08617	0.7
191.10712	1.0
192.09319	1.7
193.10126	7.3
194.10860	4.7
195.08044	1.4
195.11671	16.1
196.12268	3.4
197.09691	3.2
197.13251	12.4
197.14926	1.0
198.13971	1.8
199.11208	3.1
199.14856	4.3
201.12804	2.6
203.10561	1.0
204.09299	0.7
205.10237	1.7
205.12254	1.4
206.10905	1.5
207.11705	11.0
207.13675	1.1
208.12318	4.4
209.09793	3.2
209.13242	17.5
210.10335	1.0
210.13898	2.7
211.11162	5.8
211.14783	9.9
211.16583	0.9
212.15329	1.5
213.12782	3.0
213.16441	1.5
215.10680	3.1
215.14365	2.0
217.10229	1.4
217.12244	1.4
218.10869	1.5
219.11736	2.3
219.13727	1.4
220.12346	1.4
221.09711	0.7
221.13240	8.5
222.13927	2.7
223.11391	3.2
223.14815	14.9
224.11574	0.7
224.15398	1.3
225.12794	5.0
225.16368	4.2
227.10745	4.1
227.14296	2.5
227.17949	0.9
228.11493	1.2
229.12199	3.4
229.18701	0.7
231.11755	1.4
231.13902	2.1
232.12563	1.3
233.13297	4.3
233.15346	1.3
234.13948	1.6
235.11177	1.4
235.14803	5.3
235.16962	1.0
236.11880	0.7
236.15416	1.0
237.07494	0.8
237.12805	2.9
237.16364	4.6
239.10774	1.1
239.14279	3.7
239.18037	0.8
241.12270	3.1
241.15909	2.6
243.13869	2.7
245.13277	1.8
245.15440	2.8
246.13921	1.1
247.14760	3.9
248.15637	1.2
249.12781	2.6
249.16411	4.5
250.13498	0.8
251.14281	7.0
251.17964	3.4
252.18666	1.2
253.15947	4.5
253.19716	0.9
255.13774	3.2
256.14386	0.9
257.15463	3.1
259.14694	1.0
259.17072	2.8
261.16443	2.3
263.14426	2.2
263.17880	2.0
264.14795	0.8
265.15915	6.3
265.19156	4.0
266.20090	0.8
267.13889	1.5
267.17572	2.1
268.14590	0.8
269.15396	11.0
269.18494	1.0
270.15924	0.8
271.16946	8.4
273.16306	1.1
275.18082	1.0
277.15961	1.7
277.19397	0.8
279.17465	3.0
279.21024	1.2
281.15472	2.6
281.18848	0.6
282.16086	1.2
283.16971	3.8
285.18515	5.7
287.20413	1.3
289.16122	1.5
289.19510	3.6
291.17505	2.8
291.21182	2.2
293.19049	2.2
293.22528	1.0
295.16971	1.5
297.18488	4.1
299.19940	0.9
303.17432	1.1
305.19141	2.3
307.17108	1.5
307.20529	10.0
309.18497	2.2
309.22037	1.2
310.19092	1.0
311.20160	1.3
313.21896	0.8
317.18997	1.0
319.20679	1.2
323.20071	1.7
324.20807	1.9
325.21622	19.9
326.22098	2.0
327.23389	1.0
331.20621	0.8
333.18677	0.9
333.22055	3.0
337.21564	1.6
347.23883	0.8
349.21622	1.0
351.23181	2.6
359.23584	0.8
363.23010	0.9
365.24609	0.7
366.25540	2.3
367.18866	1.1
377.24945	0.9
387.23102	3.4
391.22287	1.1
401.28543	2.6
402.29065	0.8
405.24207	2.8
405.28122	2.4
407.22031	0.9
409.24115	0.8
411.26898	2.4
419.29752	3.6
423.25491	1.1
429.27972	10.5
430.28168	1.4
447.29166	14.9
448.29254	1.9
465.29977	100.0
466.30505	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3001
Annotation	Perovskone B
Peak:m/z	Relative Intensity
55.05510	6.6
66.91508	1.9
67.05511	8.6
68.27711	1.9
69.07064	4.3
69.15405	17.7
79.05500	7.3
81.07067	11.2
83.04994	7.1
83.08627	2.1
85.06560	3.1
91.05488	7.5
93.07052	17.2
95.04962	3.7
95.08612	25.7
97.32047	2.1
98.22582	3.5
99.04552	1.9
99.47690	2.0
105.07024	21.5
107.08598	14.1
109.10174	7.4
111.04430	2.3
111.08087	4.6
117.07051	3.7
119.08585	14.8
121.06525	3.7
121.10175	10.1
123.08083	4.2
123.11716	2.9
129.07034	5.7
131.08588	9.5
133.10146	8.3
139.07500	3.3
141.06985	3.3
142.07761	5.2
143.08546	16.0
145.10153	14.0
147.08078	4.1
147.11714	4.5
155.08528	12.6
155.27846	1.9
156.09378	4.1
157.10133	19.5
159.08015	2.2
159.11714	13.7
161.09644	5.7
161.13249	4.2
163.11176	3.3
167.08582	6.2
168.09349	6.2
169.10127	21.6
170.10953	4.0
171.08078	2.3
171.11676	11.4
173.09738	2.2
173.13336	4.7
175.11172	5.0
179.08557	2.7
179.10805	2.0
180.09348	3.7
181.10100	11.1
182.10915	3.5
183.11723	19.7
185.09712	5.8
185.13313	6.7
187.11151	2.9
189.12733	2.2
193.10211	6.9
194.10966	3.2
195.11688	13.3
196.12399	2.6
197.09669	3.5
197.13295	12.3
199.11267	2.4
199.14867	5.5
201.12738	4.6
205.10301	2.2
207.11702	7.0
208.12393	2.7
209.13263	15.8
211.11259	5.4
211.14784	9.9
215.10725	3.0
219.11693	3.5
221.13351	6.8
222.13957	2.5
223.11234	2.8
223.14801	15.0
225.12788	3.5
225.16498	3.7
229.12302	2.2
231.13821	2.5
232.12282	2.6
233.13348	2.6
233.15465	2.2
235.14896	4.8
237.16541	3.4
239.14529	2.5
241.12317	3.8
243.13934	4.4
245.15544	3.0
247.14742	3.0
249.12567	2.1
249.16507	2.9
251.14409	5.3
253.15883	2.6
255.13818	3.9
259.17087	2.7
263.14624	2.6
263.17935	3.4
265.15933	6.2
265.19519	4.5
269.15268	11.3
271.17014	8.0
277.15866	3.8
279.17673	4.0
283.16934	6.2
285.18573	5.4
289.19501	4.1
297.18616	2.7
305.19131	4.1
307.20361	10.8
309.18365	3.7
311.20261	3.8
313.21622	2.0
323.20181	4.2
325.21631	21.0
333.21979	3.2
366.25385	2.9
367.19009	2.7
387.23123	4.6
405.23947	4.4
411.26938	2.7
419.29532	7.3
429.28018	13.6
447.29053	20.3
454.03864	2.3
465.30109	100.0
466.30280	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2998
Annotation	Perovskone B
Peak:m/z	Relative Intensity
53.03946	1.9
55.05519	12.8
57.07074	0.8
59.28989	0.9
65.03953	1.3
67.05504	9.5
69.07063	4.5
69.21809	5.8
71.04977	1.4
79.05501	6.9
81.07066	10.3
83.04979	11.1
83.08621	2.8
85.06548	2.2
91.05489	9.9
93.07038	15.8
95.04967	3.0
95.08609	23.0
97.06536	1.9
97.10172	1.1
99.04456	1.9
103.05477	1.1
105.04516	1.3
105.07032	18.7
107.08600	14.1
109.06535	3.5
109.10173	6.8
111.04433	2.5
111.08094	5.3
112.18349	1.0
113.06013	1.0
115.05485	2.0
117.07007	4.7
117.23914	1.0
119.08582	17.7
120.08907	0.9
121.06516	3.6
121.10123	11.2
123.08082	5.4
123.11739	1.7
127.07626	1.1
128.06253	3.0
129.07007	6.5
131.08568	10.1
132.09018	1.0
133.10143	8.0
135.08057	2.6
135.11700	5.0
137.09668	1.0
139.07588	2.7
141.07005	3.7
141.09113	1.8
142.07825	4.4
143.08569	15.5
144.09291	1.3
145.06465	1.7
145.10115	13.5
147.08073	2.4
147.11684	5.2
149.09608	1.9
149.13248	1.5
154.07787	1.3
155.08566	14.2
156.09338	5.0
157.10129	23.3
159.08084	2.7
159.11679	10.3
161.09637	6.8
161.13295	2.5
163.07561	0.9
163.11171	1.7
165.07037	2.5
167.08563	5.4
168.09416	2.1
169.10135	20.6
169.11499	1.3
170.10715	1.9
171.08104	1.7
171.11722	11.3
173.09619	3.2
173.13264	3.7
175.11148	2.4
175.60779	0.9
178.07805	1.0
179.08565	3.3
179.10777	1.6
180.09354	1.4
181.10126	11.3
181.11662	1.3
182.10905	4.1
183.11691	15.9
184.12408	1.3
185.09639	3.5
185.13243	5.6
187.11220	3.0
187.14873	1.5
187.42117	0.9
189.12779	3.0
191.10683	2.2
192.09250	1.5
193.10165	5.9
193.11906	1.3
194.10933	2.8
195.11700	14.2
196.12448	3.5
197.09613	3.2
197.13272	10.1
198.13918	1.6
199.03885	1.9
199.11171	3.6
199.14876	4.0
201.12836	2.2
203.10748	1.3
205.12228	2.5
206.10982	1.7
207.11699	7.8
208.12486	3.4
209.09770	1.1
209.13261	16.2
210.14020	2.4
211.11237	3.9
211.14784	8.2
213.09244	1.2
213.12762	2.1
213.16322	1.4
215.10773	2.8
217.12346	1.1
219.11719	3.1
219.13843	1.2
220.12610	1.7
221.13249	6.0
222.13931	1.3
223.14807	11.6
224.15326	2.2
225.12779	3.3
225.16429	3.6
227.10678	3.1
227.14264	2.1
227.17871	1.1
228.11612	1.1
229.12289	2.1
231.11772	1.2
231.13940	1.5
232.12596	1.2
233.13332	1.6
235.14818	4.7
236.11998	1.4
237.12788	1.6
237.16374	7.6
239.14362	2.9
239.17760	1.1
241.12270	1.8
241.16084	2.2
243.13866	1.7
245.15390	1.8
246.14046	1.3
247.14789	2.8
249.12770	2.0
249.16409	2.2
251.14424	4.7
251.17955	2.2
252.18753	1.1
253.12181	0.9
253.15913	4.0
255.13901	3.4
256.14737	1.1
257.15411	2.3
259.17062	2.2
261.16428	2.2
263.07129	1.2
263.14410	1.3
263.18051	2.3
265.15875	3.7
265.19568	3.8
267.14011	0.9
267.17480	3.2
269.15372	9.6
269.18781	1.2
271.17014	6.5
275.17865	1.2
277.15863	1.5
277.19531	1.8
279.17404	3.7
279.20853	1.4
281.15356	1.2
283.16959	4.3
284.17261	1.0
285.18518	5.5
287.20236	3.3
291.20978	1.1
293.19290	1.4
293.22638	1.3
293.82993	1.1
297.18564	3.6
299.05438	2.1
305.07828	1.1
305.18982	2.9
307.20471	5.7
308.21054	1.3
309.18570	1.9
311.20026	2.5
322.08289	1.3
323.20013	1.5
324.20868	1.6
325.21606	21.2
326.22229	2.7
327.23245	2.0
333.07498	1.3
333.22223	2.4
337.21573	1.4
351.23181	1.3
365.10263	3.5
366.25476	3.1
391.22324	1.1
405.28229	1.7
411.27036	1.2
419.29608	5.7
429.27905	5.5
430.28265	1.3
447.29062	10.8
465.29990	100.0
466.30444	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2999
Annotation	Myricalactone
Peak:m/z	Relative Intensity
53.03950	2.1
55.05511	10.7
57.07078	2.1
65.03932	1.4
67.05502	14.6
69.03432	1.4
69.07072	8.5
69.70770	4.5
69.71141	2.2
71.05009	1.5
75.38737	0.9
76.16094	1.1
79.05490	9.4
81.07056	10.1
83.04967	7.2
83.08638	3.9
85.06525	1.5
91.05476	10.8
93.07045	18.3
95.04945	2.5
95.08611	29.1
96.38355	1.1
97.06525	1.4
97.10163	1.5
98.22679	2.0
98.23227	2.2
99.04454	1.6
105.07034	20.7
107.08594	17.6
109.06546	2.9
109.10160	6.8
111.04433	3.7
111.08073	6.3
113.06000	1.9
115.05480	2.3
117.07026	6.3
119.08594	18.3
121.06529	3.0
121.10147	12.7
123.08070	6.3
123.11707	1.2
125.06010	1.2
125.09582	1.7
128.06224	3.0
129.07014	5.3
131.08563	15.9
133.06464	1.7
133.10127	11.2
135.08078	2.5
135.11664	5.1
137.09601	1.9
139.07533	2.6
141.06990	4.1
141.09071	2.5
142.07776	5.9
143.08575	19.5
145.06435	1.8
145.10136	16.7
147.08069	3.9
147.11702	4.7
149.09631	2.0
153.07027	2.5
154.07759	3.5
155.08563	19.6
156.09372	6.7
157.10126	27.4
158.10591	1.4
159.08086	2.9
159.11693	14.3
161.09610	8.0
161.13260	5.0
163.11171	3.6
163.37437	1.0
165.06964	2.2
165.08987	1.2
166.07733	1.9
167.08562	7.1
168.09366	3.9
169.10139	33.5
170.10704	2.6
171.08105	1.4
171.11710	13.8
173.09677	3.7
173.13269	4.5
175.11237	3.0
177.12630	1.3
178.07848	1.2
179.08588	3.7
179.10635	2.9
180.09312	2.4
181.10153	14.4
181.12209	2.5
182.10905	5.7
183.11691	22.0
184.12331	1.3
185.09665	3.5
185.13249	7.9
187.11201	4.1
187.14853	1.2
189.12746	2.9
191.10623	1.4
192.09328	2.6
193.10075	6.3
194.10890	4.2
195.11694	18.9
196.12384	4.1
197.09656	3.1
197.13261	15.3
198.13887	2.6
199.11201	3.9
199.14822	4.6
201.12794	3.0
203.10693	1.1
204.30942	1.3
205.10184	3.2
205.12282	4.2
206.10948	1.5
207.11713	10.9
208.12370	3.1
209.09654	3.2
209.13242	25.6
210.10532	1.1
210.13869	2.8
211.11203	5.0
211.14774	9.6
213.09145	1.9
213.12686	1.4
215.10666	3.9
215.14435	1.1
217.10254	1.1
217.12263	1.5
219.11687	3.7
219.13718	1.6
220.12514	1.4
221.13255	8.6
222.13940	2.1
223.11357	2.6
223.14815	14.4
224.15369	2.0
225.12741	4.5
225.16281	5.1
227.10628	5.9
227.14175	2.6
228.11514	2.7
229.12334	3.0
231.13782	1.6
233.13240	4.0
235.14857	5.1
237.12717	3.0
237.16437	6.8
239.14243	3.0
239.18018	2.8
241.12248	3.7
241.15923	2.2
243.13800	3.4
245.15424	2.9
247.14822	3.2
249.12711	2.7
249.16399	3.2
250.17149	1.6
251.14311	7.1
251.17961	2.7
253.15892	3.8
255.13881	3.9
257.15390	2.1
259.17065	2.2
261.16418	2.4
263.14297	2.2
263.17966	3.0
264.14999	1.5
265.16083	5.6
265.19455	5.2
267.13919	1.5
267.17477	1.9
269.15442	12.9
271.16919	9.8
277.15909	2.9
279.17529	4.1
279.21124	1.7
281.15283	2.4
282.16055	2.6
283.16867	4.5
285.18579	4.4
287.20187	2.3
289.16260	1.7
289.19528	3.9
291.17477	1.8
291.21118	1.4
293.22607	1.4
295.16904	1.3
297.18542	5.7
305.18884	2.1
307.20508	10.7
309.18515	4.4
311.20026	2.6
319.20789	1.4
321.18439	1.8
323.20120	4.1
324.20648	2.0
325.21637	27.2
326.22058	2.3
327.23236	2.4
331.20633	1.6
333.22107	2.0
337.21521	1.8
345.22147	1.5
349.21753	1.8
351.23373	3.1
366.25546	4.1
373.21558	2.0
387.22845	2.3
391.22467	1.4
401.28482	2.4
405.23621	1.4
405.28418	2.5
411.26935	2.6
419.29587	5.4
429.27786	8.6
447.28867	14.4
448.29352	1.5
452.36826	1.1
465.29980	100.0
466.30414	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2998
Annotation	Perovskone B
Peak:m/z	Relative Intensity
55.05508	5.5
57.50663	1.5
65.03897	1.4
67.05503	10.0
69.07076	6.8
69.19956	1.9
69.20354	10.3
76.25558	1.7
79.05489	6.5
81.07060	10.6
83.04965	3.4
83.08631	3.0
85.06547	2.2
91.05460	9.3
93.07040	14.6
95.04941	3.4
95.08604	25.0
95.57623	1.4
97.06536	2.2
103.05467	1.5
105.07036	15.0
107.08581	14.9
109.06495	2.5
109.10163	7.3
111.04463	2.7
111.08068	3.7
117.07030	5.8
119.08574	17.1
121.06517	2.3
121.10152	10.3
123.08075	6.4
123.11703	2.3
125.09602	1.9
128.06267	2.8
129.07028	4.6
131.08525	8.2
133.10106	7.7
135.08078	3.0
135.11682	5.4
141.07034	2.6
142.07794	5.7
143.08545	13.9
145.10097	12.9
147.08096	2.8
147.11705	3.1
149.09634	3.0
154.07764	1.8
155.08527	10.8
156.09306	4.2
157.10127	19.7
159.08067	3.1
159.11688	8.9
161.09616	4.3
161.13306	3.2
163.07513	2.0
163.11223	4.0
165.07025	2.2
167.08540	3.0
168.09407	3.1
169.10110	18.7
170.10905	3.5
171.11671	11.1
173.09676	1.6
173.13315	3.2
175.11139	1.8
179.08566	3.0
179.10669	1.7
181.10135	9.4
182.10951	3.4
183.11694	15.1
184.12236	1.6
185.09673	4.6
185.13300	6.0
187.11206	2.3
189.12746	2.3
193.10121	5.1
194.10936	2.3
195.11702	14.2
196.12320	1.8
197.09586	2.8
197.13281	11.9
199.11266	2.4
199.14742	3.2
201.12671	3.7
207.11748	6.6
209.09654	2.9
209.13232	18.9
210.13945	2.4
211.11244	3.9
211.14783	7.8
213.09203	1.6
213.12775	2.8
215.10695	2.1
219.11707	2.2
221.13261	6.6
223.11160	2.7
223.14798	12.6
224.15564	2.8
225.12759	3.2
225.16324	4.2
227.10594	1.9
227.14375	2.7
228.11653	1.6
229.12442	2.5
233.13271	3.0
235.11003	1.7
235.14847	3.7
237.12692	3.4
237.16391	5.6
239.14410	2.2
241.15884	1.8
243.13789	2.6
247.14717	2.6
249.12880	3.4
249.16403	4.2
251.14375	6.2
251.17961	3.2
253.15881	2.0
255.13765	2.8
257.15384	3.2
259.16849	2.8
263.14230	1.9
265.15866	6.9
265.19440	3.8
267.17361	2.3
269.15399	9.7
271.16934	10.4
277.15903	2.1
279.17499	3.2
281.15610	1.7
283.16965	4.5
285.18466	4.0
287.20059	2.8
289.19626	2.4
291.17551	2.0
297.18375	4.0
305.18976	1.7
307.20416	8.1
308.20895	2.1
309.18637	2.6
311.19931	1.9
323.19901	2.0
325.21637	17.7
326.22113	2.5
339.23257	1.7
366.25345	1.9
387.23248	3.3
401.28696	2.8
405.28171	2.0
411.26663	1.9
419.29449	5.7
429.28064	9.4
447.28961	14.5
465.29977	100.0
466.30240	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2999
Annotation	Dihydrocochloxanthin
Peak:m/z	Relative Intensity
50.01617	1.4
53.03948	2.2
55.05514	8.4
59.04988	2.0
65.03923	2.6
67.05508	19.6
69.03434	2.9
69.07064	7.4
69.22976	3.1
69.23389	8.1
79.05495	10.8
81.07057	15.8
83.04985	9.1
83.08604	2.0
85.06538	3.3
85.31199	1.8
87.51252	1.7
91.05477	17.8
93.07037	22.4
95.04979	3.9
95.08604	46.5
97.06525	2.9
99.04458	1.6
103.05487	1.8
105.07024	22.4
107.08588	20.1
109.06538	4.4
109.10150	12.8
111.04435	5.5
111.08090	8.0
115.05434	1.7
117.07033	9.7
119.08576	51.2
119.09451	2.4
121.06499	5.1
121.10139	13.2
123.08079	12.9
123.11723	4.1
125.09609	3.1
128.06219	2.8
129.07005	5.8
131.08563	13.2
133.10106	15.4
135.08051	18.2
135.11700	5.0
137.09607	2.2
139.07523	4.9
141.06975	3.8
141.09071	3.0
142.07782	5.8
143.08554	18.9
144.09305	2.8
145.10135	20.9
147.08014	6.4
147.11694	5.5
149.09586	3.2
149.13217	2.0
153.06970	2.2
154.07768	2.6
155.08557	19.3
156.09332	6.5
157.10133	23.4
158.10791	2.9
159.08006	3.4
159.11699	15.6
161.09621	12.1
161.13243	5.8
163.11192	4.4
165.06996	2.7
166.07770	1.8
167.07095	2.9
167.08574	8.2
168.07426	2.8
168.09322	3.2
169.10106	24.1
170.10890	3.1
171.11691	19.5
173.09633	3.9
173.13268	7.2
175.11212	5.6
175.37103	1.7
179.08583	4.7
180.09343	2.0
181.10100	17.1
182.10837	3.3
183.11691	20.5
184.12416	2.2
185.09642	5.2
185.13290	6.6
187.11171	9.3
187.14856	4.2
189.12730	4.7
191.08524	1.5
192.09221	2.0
193.10083	10.6
194.10947	4.2
195.11665	14.4
196.12408	2.9
197.09639	1.8
197.13249	11.5
199.11244	4.8
199.14828	5.2
201.12767	5.1
205.10138	4.1
206.10852	4.8
207.11717	9.8
207.13556	2.3
208.12459	4.8
209.09668	2.0
209.13222	16.8
210.13948	4.6
211.11276	2.1
211.14842	7.5
213.12706	4.4
213.16278	1.8
215.14323	2.9
217.12405	1.7
219.11708	5.1
220.12363	3.2
221.13263	15.4
222.13875	4.0
223.11194	3.0
223.14832	17.7
224.15253	1.5
225.12784	5.1
225.16423	8.9
227.14293	7.3
227.17778	2.0
229.13522	1.6
229.15788	2.8
232.12534	2.2
233.13277	5.4
234.14043	3.3
235.14720	8.2
236.11862	1.7
236.15335	1.6
237.12724	3.2
237.16315	8.7
239.14243	5.4
239.18018	4.2
241.15814	12.0
245.13257	1.8
247.14888	5.7
248.15686	2.5
249.16446	8.6
251.14406	8.7
253.15813	13.4
255.17409	2.1
259.14627	1.6
259.17007	2.4
261.16431	4.2
263.17993	6.1
265.15857	7.4
265.19614	2.2
267.17542	7.0
269.18927	7.1
275.17886	2.0
277.15842	1.7
279.17435	12.5
279.21152	5.9
281.18948	4.8
283.20328	2.0
285.18457	3.1
289.19473	5.5
290.20142	2.1
291.17270	3.9
291.20822	2.8
293.18982	5.8
297.18369	2.0
305.18988	3.5
305.22760	1.9
307.20529	26.5
308.21158	2.4
309.22159	3.4
315.21130	2.2
319.20761	1.9
325.21625	8.5
327.19424	2.3
331.20596	1.9
333.22153	8.3
348.24304	3.7
351.22955	3.3
361.21643	3.0
401.28394	4.1
403.26282	3.7
411.26910	2.1
419.29623	12.6
421.27377	11.4
422.27802	1.8
429.27869	19.2
430.27994	2.6
446.32501	1.6
447.28906	100.0
448.29324	13.5
465.29971	25.4
466.30334	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2998
Annotation	Perovskone B
Peak:m/z	Relative Intensity
53.03945	3.1
53.79708	2.1
55.05505	5.5
57.44690	2.3
64.30678	2.7
65.03945	2.8
67.05498	12.1
69.07070	3.4
69.11237	20.4
71.04980	2.3
78.48761	2.5
79.05488	6.8
81.07046	12.1
83.04995	7.2
83.08617	3.9
91.05487	9.6
93.07041	16.3
95.08620	25.3
97.06565	3.2
98.23100	10.0
105.07058	19.8
107.08620	14.8
109.06561	2.6
109.10161	7.5
111.04453	3.0
111.08124	4.3
117.07048	4.7
119.08593	15.8
121.06513	3.4
121.10138	12.1
123.08099	2.9
128.06265	3.8
129.07021	6.3
131.08566	11.7
133.10152	7.2
135.08067	2.8
135.11694	4.9
139.07515	4.0
141.06987	4.2
142.07835	4.9
143.08556	17.7
145.10136	15.7
147.11725	4.5
149.09712	2.9
154.07867	2.4
155.08556	16.5
156.09367	2.9
157.10143	23.8
159.08052	2.4
159.11710	12.4
161.09627	6.8
163.11208	3.7
165.06996	3.1
167.08577	6.9
168.09352	4.2
169.10127	27.6
170.10872	2.5
171.11678	16.2
173.13266	3.5
179.08585	2.9
179.10750	4.1
181.10114	11.9
182.10953	4.0
183.11693	21.6
184.12108	2.9
185.09616	3.9
185.13234	7.3
187.11188	3.1
189.12787	3.0
193.10159	7.4
195.11731	14.9
196.12431	4.2
197.13332	8.9
199.11205	3.3
199.14775	3.2
205.12189	3.4
207.11696	9.2
208.12390	3.8
209.09651	3.3
209.13248	21.3
211.11221	3.1
211.14873	7.9
212.90337	2.4
213.47037	2.3
215.10678	4.4
219.11807	3.2
221.13301	9.4
223.14818	11.3
225.16411	5.5
227.10687	3.5
229.12254	4.0
232.12740	2.3
233.13295	2.7
235.14783	5.8
237.16507	6.3
239.14262	3.2
241.12256	3.6
245.15489	3.0
247.14877	2.8
249.12823	3.0
249.16518	3.6
251.14342	5.7
255.13727	3.4
259.17062	3.2
265.15930	6.5
265.19489	3.1
269.15332	11.6
271.16928	9.6
277.19537	3.1
279.17749	2.2
279.21246	3.3
282.16339	3.8
283.16968	5.2
285.18478	4.1
291.17429	3.4
297.18594	4.9
307.20523	5.0
309.18158	3.4
311.20114	4.3
323.20193	3.8
325.21576	25.0
333.22220	3.0
337.21576	2.8
351.23077	2.4
366.25537	4.2
419.29401	4.7
429.27972	7.3
447.29337	11.0
465.30035	100.0
466.30307	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3
Annotation	Myricalactone
Peak:m/z	Relative Intensity
50.15826	1.0
50.96110	1.2
55.05506	5.7
57.07087	1.9
65.03955	1.6
67.05506	12.3
69.01127	5.4
69.01554	6.5
69.07074	5.4
71.04995	1.2
71.09885	1.1
79.05486	7.7
81.07064	8.6
83.04989	6.2
83.08620	2.5
83.61211	1.2
85.06535	1.7
91.05486	8.7
93.07042	15.9
95.04987	2.5
95.08611	22.8
95.09227	1.3
97.06544	2.4
97.10246	1.5
99.04472	1.2
105.07027	17.0
107.08589	17.4
107.09279	1.7
109.06544	2.2
109.10139	6.1
111.04440	2.6
111.08078	5.1
113.06001	1.4
117.07023	7.8
119.08585	23.5
121.06509	2.8
121.10139	9.3
123.08086	4.1
123.11691	2.8
125.09577	1.7
127.07692	1.2
128.06262	2.6
129.07027	5.5
131.08578	11.8
133.10143	11.7
135.08057	4.7
135.11707	4.5
137.05917	1.3
137.09531	1.3
139.07547	3.5
141.06996	2.8
141.09117	2.5
142.07790	4.4
143.08566	12.7
144.09380	1.4
145.06502	2.0
145.10135	18.7
146.89169	1.2
147.08092	2.8
147.11678	6.2
149.09621	2.8
149.13249	2.3
153.07034	1.6
154.07602	1.9
155.08557	10.8
156.09352	4.5
157.10120	22.1
159.08046	3.2
159.11693	17.1
161.09599	7.0
161.13280	4.2
163.07617	3.2
163.11214	2.7
165.07089	1.4
165.09163	1.7
167.08607	3.4
168.09340	3.1
169.10129	20.8
170.10829	2.6
171.08063	1.1
171.11690	16.3
173.09653	4.4
173.13246	6.2
175.11186	1.9
175.14908	1.4
177.09135	3.3
179.08588	3.1
179.10698	2.3
181.10100	8.5
182.10895	2.6
183.11710	24.3
185.09660	5.2
185.13263	11.9
187.11224	3.1
187.14763	2.5
189.12836	1.7
191.10658	8.9
193.10190	4.9
194.10902	1.6
195.11693	13.2
196.12479	2.6
197.09662	3.6
197.13271	14.6
198.13850	1.6
199.11185	3.1
199.14848	5.7
201.12746	2.0
203.10709	1.3
205.12280	3.0
207.11790	8.2
208.12398	2.4
209.13246	18.9
210.13956	3.2
211.11195	4.8
211.14771	9.1
213.12772	4.0
213.16402	1.4
215.10725	2.7
217.12360	1.4
219.11830	1.4
219.13812	2.1
221.13292	6.0
222.14110	1.9
223.11180	1.8
223.14754	10.1
225.12695	6.1
225.16243	5.6
227.10742	2.6
227.14334	4.1
227.17941	2.2
229.12267	3.5
229.15909	3.8
231.13887	2.2
233.13264	3.5
233.15392	1.7
235.14847	4.3
237.12766	3.3
237.16364	13.7
239.14362	4.7
239.17934	1.6
241.12289	3.4
241.15840	1.5
241.19521	1.4
243.13849	6.6
245.15326	5.8
247.14882	2.8
249.16417	2.2
251.14423	5.3
251.17998	3.0
253.15897	4.0
255.13899	4.2
257.15393	5.7
259.17017	6.0
261.16458	1.6
263.14328	2.3
263.18042	4.0
265.15887	4.2
265.19608	5.1
267.17566	2.1
269.15427	9.9
271.16940	25.5
272.17349	2.4
273.18552	1.4
277.15958	2.9
277.19232	1.5
279.17462	5.2
279.21130	3.9
281.15353	2.7
281.18976	1.6
281.22565	2.4
283.16943	3.7
285.18536	4.9
286.19101	1.4
287.20334	1.4
289.19324	2.8
291.17438	1.6
293.19064	1.7
297.03998	1.3
297.18607	6.7
299.20145	2.8
303.48831	1.7
305.18936	2.8
307.20670	6.2
307.23837	1.7
309.18555	2.7
309.21933	1.5
311.20038	2.6
317.19089	1.3
323.20007	1.9
324.20670	2.1
325.21585	28.7
326.22433	1.7
327.23294	3.3
333.22064	2.9
337.21884	2.0
349.21387	1.4
351.23193	2.2
366.25555	3.6
373.21545	1.7
377.24982	1.3
401.24402	3.0
401.28882	2.1
405.27988	2.5
411.26697	2.1
419.24435	1.7
419.29865	14.7
420.29724	1.6
421.30881	3.0
429.27887	6.7
437.27032	3.2
447.29044	16.2
448.29562	1.5
465.29999	100.0
466.30206	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29593	3.2
53.03935	10.0
55.01863	4.0
55.05517	30.5
57.03428	4.2
57.07074	4.9
65.03925	6.5
67.05508	52.8
69.03423	6.9
69.07069	34.5
71.05000	5.0
73.06546	4.1
79.05499	22.8
81.07059	55.7
83.04992	20.0
83.08599	16.0
85.06538	7.7
89.79053	3.1
91.05473	28.5
93.07048	55.4
95.04977	15.4
95.08607	92.6
97.06524	14.6
97.10158	7.4
105.07028	63.3
107.08591	62.3
109.06510	12.1
109.09440	4.8
109.10151	62.8
111.04459	10.9
111.08082	13.2
115.07590	6.3
117.06996	12.5
119.08581	78.4
119.67381	3.0
121.06519	6.0
121.10153	57.8
123.08070	40.7
123.11705	15.8
125.09622	29.4
127.11160	3.8
128.06190	10.6
129.07028	17.3
130.07780	3.5
131.08568	38.2
133.10126	53.8
135.08022	8.4
135.11688	20.7
137.09615	9.3
137.13237	4.1
139.07536	7.0
141.07007	8.4
141.09088	7.1
142.07773	12.7
143.08572	39.3
143.42395	3.1
144.09323	6.4
145.10141	55.1
147.08003	4.2
147.11697	29.8
149.09608	16.9
149.13193	6.7
151.11201	7.2
155.08551	28.7
155.10681	5.2
156.09346	17.4
157.10135	67.3
158.10680	7.7
159.08052	10.2
159.11688	62.0
161.09552	15.4
161.13254	14.9
163.11171	15.1
165.06940	3.7
165.12756	4.5
167.08578	8.1
168.09337	9.5
169.10124	64.5
170.10825	12.0
171.07948	3.7
171.11690	58.3
173.09605	15.6
173.13261	33.8
175.11159	11.5
175.14819	9.9
177.09129	6.9
177.12802	7.8
179.08614	7.6
179.10628	5.7
180.09247	5.7
181.10162	25.1
181.12210	11.9
182.10828	9.0
183.11699	60.5
185.09662	7.1
185.13242	43.2
187.11145	11.4
187.14838	14.0
189.12759	16.8
189.16399	5.3
191.10658	7.1
191.14359	4.5
192.09322	4.0
193.10199	16.7
193.11971	4.0
194.10887	6.2
195.11699	39.1
196.12392	9.4
197.09647	6.4
197.13248	50.9
198.13936	9.7
199.11185	16.5
199.14803	19.5
201.12772	12.1
203.14241	8.7
205.10324	4.8
205.12263	8.7
206.10922	5.2
207.11772	23.2
207.13545	6.7
208.12466	7.6
209.09557	5.1
209.13217	49.3
210.13788	8.4
211.11186	13.8
211.14787	37.5
212.15529	5.4
213.12746	10.5
213.16393	11.1
215.14311	9.3
217.15715	3.8
219.11702	7.6
219.13748	11.3
221.13301	28.1
221.15286	7.1
223.11166	8.9
223.14819	50.6
224.15433	6.6
225.12753	13.0
225.16393	20.5
227.10732	4.3
227.14349	8.1
227.18013	9.2
228.92705	3.8
229.12244	8.0
229.15800	6.6
231.13762	4.7
231.17549	4.4
233.13310	6.7
233.15329	11.3
235.14825	19.4
235.16815	4.4
237.12715	11.6
237.16370	15.2
239.14186	13.0
241.12279	5.0
241.15886	10.3
241.19606	3.6
243.13751	9.2
245.15424	8.1
247.14749	10.8
247.16983	19.2
248.15581	4.3
249.12732	6.3
249.16409	15.5
251.14294	14.0
251.17903	8.4
253.15892	17.7
255.13814	8.0
255.17590	6.0
257.15311	6.6
259.17032	8.9
261.16379	5.5
263.17957	10.1
265.15979	17.7
265.19495	10.1
267.17615	7.7
267.20782	3.8
269.15338	15.3
269.19019	5.0
271.16882	20.5
273.18384	5.7
275.17798	3.8
277.16028	5.2
277.19473	9.4
279.17523	8.0
279.20767	4.6
281.19046	8.2
282.16101	3.5
283.17020	13.4
285.18475	24.2
285.76361	3.4
287.20148	6.0
289.19293	4.7
291.17563	7.4
291.20917	5.4
293.19022	6.9
293.22568	5.7
295.20786	4.9
295.23990	5.8
296.17767	3.2
297.18436	14.1
299.20126	14.3
305.19012	5.4
305.22885	3.5
307.20490	14.9
308.20889	4.6
309.22098	9.3
311.20154	4.8
315.23190	3.8
319.20468	5.1
319.24057	4.9
321.22177	6.6
325.21637	36.2
325.25339	5.1
327.23300	6.6
333.21988	8.3
335.23663	5.7
337.25162	13.6
339.23160	16.6
341.24722	9.4
351.23056	9.3
366.25504	7.9
367.26346	5.1
369.28119	20.0
377.24982	4.9
391.26181	13.6
391.30649	5.1
405.27814	9.0
411.26297	4.5
415.30066	7.2
419.29398	9.5
429.27887	25.8
433.31015	24.8
437.34357	7.5
447.28342	47.6
465.29611	100.0
465.34186	60.0
466.29581	7.2
466.34732	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3
Annotation	Perovskone B
Peak:m/z	Relative Intensity
53.03939	1.6
55.05516	7.2
57.07087	1.6
67.05503	12.7
69.07078	7.6
69.19334	6.9
69.19742	3.5
71.05005	1.6
79.05492	7.9
81.07052	12.2
83.04978	5.1
83.08601	3.6
85.02924	1.5
91.05466	9.3
93.07040	17.8
93.42205	1.2
95.04988	3.0
95.08606	25.2
96.08954	1.2
97.06522	1.7
97.10192	1.4
105.07034	17.1
107.08582	12.7
109.06525	5.0
109.10160	8.7
111.04442	3.9
111.08078	5.0
115.05455	1.8
117.07020	4.1
119.08582	17.3
120.08923	2.4
121.06489	3.0
121.10132	9.8
123.08088	7.2
123.11694	1.9
125.06038	1.2
128.06171	2.9
129.07001	6.0
131.08568	10.9
133.06476	1.4
133.10112	7.4
135.08089	2.6
135.11685	3.7
137.09613	1.5
139.03964	1.6
139.07542	2.4
141.06995	4.0
141.09137	1.8
142.07784	3.8
143.08551	15.4
145.10120	11.3
147.08047	3.8
147.11690	4.1
149.09595	1.5
149.13255	1.7
153.06979	2.2
155.08551	12.4
156.09341	2.3
157.10139	21.0
159.08067	2.9
159.11682	12.4
161.09650	4.9
161.13242	3.2
163.11180	2.4
165.07086	2.0
165.09062	3.0
166.07884	1.6
167.08583	5.2
168.09344	3.7
169.10118	17.2
170.10954	2.2
171.11700	10.9
173.09700	3.0
173.13298	4.7
175.11198	3.8
179.08588	2.8
179.10635	1.9
180.09425	1.4
181.10092	10.0
181.12350	1.5
182.10864	2.9
183.11685	18.5
185.09644	5.5
185.13240	6.1
187.11226	3.8
189.12743	3.7
192.09222	1.7
193.10143	4.0
194.10878	3.4
195.11710	12.7
196.12404	2.6
197.09616	3.4
197.13245	12.5
198.13974	1.5
199.11182	3.8
199.14859	3.2
201.12732	3.2
203.10564	1.5
205.10152	2.2
205.12160	1.7
207.11719	6.1
208.12418	2.7
209.09647	2.7
209.13268	16.8
210.13770	2.5
211.11223	5.0
211.14764	9.3
213.12769	2.9
215.10669	2.9
215.14310	1.7
219.11813	1.6
219.13892	1.8
221.13315	7.7
222.13971	1.3
223.11238	3.5
223.14825	14.0
225.12735	4.4
225.16425	3.9
227.10692	3.9
227.14311	3.8
229.12297	3.8
231.14006	2.4
233.13185	3.1
233.15308	2.0
235.14844	5.3
237.12747	3.7
237.16467	5.6
239.14394	3.3
239.18008	1.3
241.12189	2.7
241.15939	2.5
243.13857	2.8
245.13167	1.5
245.15488	2.8
247.14905	3.9
249.12756	1.4
249.16388	2.5
251.14307	6.6
251.18021	5.2
253.15820	5.7
255.13881	3.0
257.15381	3.1
259.14642	1.6
259.17050	1.8
261.16418	1.8
263.14456	2.1
263.18033	3.0
265.15771	6.0
265.19626	3.2
267.17435	1.4
269.15356	12.2
271.16977	8.3
277.15863	3.6
279.17404	3.4
283.16980	6.9
285.18503	5.1
289.19586	2.6
291.17502	2.2
291.20972	1.5
297.18512	3.8
305.19012	2.8
307.20627	8.3
309.18454	2.5
311.20200	2.5
324.20731	1.6
325.21573	20.6
326.22153	2.8
327.23276	1.4
333.22244	3.3
351.23120	2.1
366.25348	3.0
387.23059	3.3
401.28506	1.8
405.24060	3.3
405.28506	2.9
411.26962	2.0
419.29355	4.8
429.27832	13.3
430.28418	1.8
447.28967	21.5
448.29272	2.5
465.29996	100.0
465.36093	4.3
466.30389	11.0
485.34897	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3002
Annotation	Myricalactone
Peak:m/z	Relative Intensity
53.03938	1.5
55.01866	1.3
55.05510	7.1
57.07066	2.9
58.98505	0.9
66.17415	1.0
67.05502	12.4
68.39183	1.0
69.03427	1.6
69.07074	7.4
69.39533	6.4
71.04987	1.3
79.05505	6.8
79.12120	0.9
81.07042	11.7
83.04980	8.2
83.08620	3.5
85.02898	1.5
85.06538	2.6
91.05477	10.9
93.07045	17.8
94.07375	1.2
95.04956	4.0
95.08607	28.8
96.08958	1.1
97.06535	3.5
105.07027	19.7
107.08587	16.4
109.06515	3.8
109.10126	7.3
111.04456	2.6
111.08081	4.1
113.06021	1.8
115.05490	2.7
117.07009	6.6
119.08574	18.4
121.06502	3.1
121.10147	13.0
123.08038	6.8
123.11696	2.0
125.05978	1.2
125.09593	1.7
127.07581	1.3
128.06226	2.4
129.06970	5.7
131.08545	11.7
133.10115	10.3
135.08038	3.0
135.11700	5.4
137.09700	1.5
139.07544	2.1
141.07043	3.6
141.09105	1.1
142.07764	5.4
143.08543	16.4
145.06538	1.3
145.10109	13.0
147.08081	2.6
147.11659	4.8
149.09625	1.2
149.13199	1.3
153.07063	1.1
153.09323	1.3
154.07713	1.6
155.08521	14.8
156.09312	4.3
157.10133	24.4
158.10616	1.3
159.08101	3.2
159.11693	15.5
161.09630	5.8
161.13295	3.1
163.07559	1.5
163.11153	2.0
165.07022	1.2
166.07727	1.3
167.08568	7.2
168.09343	3.7
169.10124	21.0
170.10873	2.4
171.11696	11.9
172.12306	1.3
173.09628	4.6
173.13223	5.5
175.11201	2.7
175.14845	2.5
176.23396	1.3
177.09126	1.7
179.08577	4.3
179.10693	3.2
180.09306	2.3
181.10155	9.6
181.12178	1.9
182.10902	3.7
183.11702	20.1
184.12251	2.2
185.09668	4.2
185.13200	7.0
187.11272	2.2
187.14790	2.0
189.12715	3.6
191.08765	1.0
191.10718	3.9
193.10168	4.8
194.10953	3.1
195.11655	11.9
196.12456	3.7
197.09601	3.1
197.13234	14.2
198.13995	2.2
199.11189	3.7
199.14847	3.5
201.12737	1.8
203.10698	1.8
205.12282	2.3
206.10982	1.4
207.11711	6.7
207.13678	1.6
208.12366	1.2
209.09731	1.8
209.13252	21.0
210.13829	2.4
211.11244	3.2
211.14781	9.2
212.15660	1.3
213.12802	3.3
213.16360	1.5
215.10744	3.4
215.14340	2.4
217.12248	1.8
219.11713	3.3
219.13840	2.0
220.12308	1.6
221.13268	7.4
222.13791	1.4
223.11264	2.2
223.14798	10.6
225.12762	4.3
225.16426	3.8
227.10736	4.7
227.14465	2.2
228.11287	1.4
229.12245	4.7
231.11678	2.0
231.13841	2.2
233.13261	2.7
235.14871	3.7
237.12791	2.2
237.16368	8.1
239.14262	2.3
239.17982	1.7
241.12340	2.4
241.15814	1.8
243.13832	3.9
245.15472	4.2
247.14819	3.7
248.15593	1.3
249.12733	2.3
249.16423	4.3
251.14207	5.3
251.18024	3.6
253.15884	3.0
255.13864	3.9
257.15408	1.9
259.17004	2.6
261.16379	2.0
263.14273	2.9
265.15936	3.2
265.19574	4.0
267.13873	1.5
267.17386	3.0
269.15353	12.0
271.16983	11.4
277.15790	2.5
279.17477	3.9
279.20959	2.0
281.15265	2.5
283.17093	3.2
284.17175	1.3
285.18488	5.9
287.20105	2.3
291.17502	1.6
293.18909	1.3
295.17014	1.8
297.18420	5.0
299.20035	2.0
303.17435	1.5
305.19025	2.6
307.20526	7.0
309.18417	2.5
311.20151	1.3
319.20535	2.5
323.20096	2.2
324.20712	1.7
325.21594	21.9
326.22214	2.3
327.23291	2.2
331.20728	1.7
333.22064	3.4
337.21674	1.9
349.21619	1.9
351.23102	2.1
365.24808	1.5
366.25549	3.8
366.85480	1.2
387.23312	1.3
391.22388	1.7
401.28787	2.5
405.23471	1.7
405.28107	1.7
411.26456	1.4
419.29480	6.0
429.27713	8.1
447.28903	14.2
465.29956	100.0
465.35532	4.5
466.30334	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3
Annotation	Dihydrocochloxanthin
Peak:m/z	Relative Intensity
50.41742	2.8
53.03954	5.3
55.01900	3.9
55.05518	31.7
63.08706	2.6
65.03985	2.9
65.41566	2.8
67.05508	25.0
69.03438	4.9
69.07080	11.1
69.19794	19.7
71.05016	6.8
79.05499	20.3
81.07053	26.3
82.50130	3.1
83.04979	50.0
83.05447	3.8
83.08639	9.1
87.27103	2.9
91.05470	25.0
93.07048	39.8
93.07539	3.6
95.05006	11.8
95.08603	49.5
97.06580	6.9
97.10165	3.6
98.22586	5.1
105.07035	43.5
107.08604	38.9
109.06522	5.0
109.10153	21.7
110.73888	2.7
111.04446	36.5
111.05074	3.2
111.08074	15.5
113.06020	4.8
117.07011	15.7
119.08587	56.2
121.06554	8.8
121.10143	20.0
123.08112	11.9
123.11731	5.2
128.06252	7.0
129.07069	12.4
131.08577	29.8
131.09325	2.9
133.06534	4.5
133.10135	37.2
135.08121	11.0
135.11760	10.3
137.06012	4.5
137.09619	3.3
139.07603	12.5
141.07094	4.8
141.09116	3.9
142.07845	11.8
143.08560	30.4
144.09389	4.4
145.06581	4.7
145.10123	50.5
147.08113	11.0
147.11679	23.6
149.09680	4.1
149.13274	4.5
153.07011	3.9
153.09106	3.5
154.07924	3.7
155.08589	17.0
156.09399	10.7
157.10118	50.4
157.11198	4.0
158.10872	3.6
159.08147	10.3
159.11697	50.7
161.09721	10.7
161.13341	7.8
163.07625	3.3
163.11211	6.9
167.08641	9.0
168.09404	5.2
169.10136	30.8
170.11005	7.0
171.08136	3.4
171.11711	48.2
171.13031	4.1
172.12488	3.8
173.09702	11.8
173.13242	22.8
175.11259	7.4
175.14931	6.6
179.08623	3.4
181.10233	16.3
181.12265	5.0
182.10974	6.0
183.08191	3.9
183.11693	44.8
184.12399	4.6
185.09723	8.2
185.13237	36.9
187.11253	11.0
187.14915	7.5
189.12881	7.9
191.10783	11.7
193.10136	13.3
193.12334	2.9
194.10941	6.8
195.11658	27.8
196.12531	9.3
197.13277	33.1
197.14868	2.5
198.14151	3.2
199.11282	12.4
199.14830	14.2
200.11951	2.9
201.12842	11.2
201.16490	6.1
205.10339	3.5
205.12376	7.9
206.11111	4.4
207.11832	20.6
207.13724	4.4
208.12390	4.6
209.09753	5.8
209.13284	30.5
210.14005	4.1
211.11354	6.1
211.14793	20.8
213.12871	8.0
213.16467	6.7
217.12321	6.8
219.11937	6.1
219.13940	9.1
221.13275	16.4
221.15314	3.5
222.14099	4.9
223.11203	6.7
223.14822	23.7
224.15665	3.2
225.12813	5.9
225.16525	9.8
227.14461	9.1
229.15953	5.9
231.13960	8.9
232.12495	3.2
233.13408	9.6
233.15381	3.2
234.14166	5.4
235.14842	13.9
237.12885	10.3
237.16237	13.3
238.16998	3.9
239.14456	9.6
239.18063	5.2
241.12332	4.0
241.15938	5.4
243.13908	5.1
245.13199	4.9
245.15402	20.9
247.14845	5.2
247.17094	9.7
249.12874	3.1
249.16525	11.4
251.14424	5.5
251.18063	8.8
253.12433	4.8
253.16052	9.4
255.13847	4.1
255.17615	4.2
257.15509	7.6
259.14810	4.3
259.17166	6.1
261.12839	4.1
261.16492	6.4
263.18109	8.1
265.15836	5.1
265.19971	3.5
267.14417	3.5
267.17511	5.1
269.15573	11.3
271.17123	8.7
273.16083	3.3
273.18741	10.0
277.16043	8.7
279.17624	7.8
281.15573	6.3
281.18918	6.1
283.17105	6.0
285.18692	9.3
289.19620	6.2
291.17709	5.2
291.21164	6.6
293.19247	6.4
293.22635	4.1
295.17087	10.2
297.18597	13.2
299.20078	13.1
307.17294	3.9
307.20645	10.1
309.18631	2.8
309.22467	4.3
323.20377	12.9
325.21606	26.3
326.22241	5.3
327.23288	5.5
333.22488	9.5
337.21820	5.3
339.23151	4.0
348.24701	5.6
351.23145	14.5
353.24957	5.1
359.20132	4.6
361.22058	3.3
365.24832	6.4
366.25510	18.4
373.21835	4.9
387.23276	5.5
401.28964	4.9
409.23962	4.9
411.27243	3.7
419.29617	23.5
429.28003	34.8
430.28433	3.5
447.29352	48.7
448.29614	4.7
465.30301	100.0
466.30676	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2999
Annotation	Perovskone B
Peak:m/z	Relative Intensity
52.59595	1.0
53.03946	1.7
55.05515	6.5
55.67063	0.9
57.20665	1.0
58.32065	0.8
67.05501	7.8
69.03418	1.8
69.07066	5.4
69.22416	2.4
69.22820	5.5
79.05494	5.1
81.07064	8.4
83.05004	6.0
83.08603	3.4
85.06530	1.7
91.05476	7.4
91.16991	1.0
93.07041	13.9
94.07313	1.0
95.04967	2.1
95.08598	20.9
97.06522	1.8
105.07028	16.1
107.08588	14.0
109.10155	7.4
111.04436	2.4
111.08092	4.0
115.05508	1.5
117.07021	6.7
117.07712	1.1
119.08586	17.5
121.06521	2.5
121.10151	7.9
123.08057	5.5
123.11732	1.5
128.06223	1.7
129.07013	4.5
131.08582	10.1
133.10136	9.1
135.08037	3.2
135.11684	2.7
137.09555	1.3
139.07539	3.7
141.07039	2.8
141.09177	1.1
142.07791	4.5
143.08562	14.2
144.09337	1.2
145.10120	12.4
147.08102	1.6
147.11682	5.2
149.09628	2.4
149.13275	1.4
154.07773	1.3
155.08516	10.6
156.09290	3.6
157.10123	17.9
158.10695	1.2
159.08083	2.7
159.11705	10.2
160.12289	1.0
161.09586	6.2
161.13257	2.1
163.07500	1.7
163.11197	2.1
165.06978	1.8
167.08533	2.5
168.09346	3.0
169.10112	18.9
170.10834	2.4
171.11685	13.5
173.09778	1.9
173.13264	3.1
175.11134	2.3
177.09122	1.9
179.08556	2.5
179.10713	2.9
180.09344	1.2
180.17204	1.0
181.10056	6.4
181.12277	1.0
182.10944	2.1
183.11710	16.8
184.12289	1.5
185.09660	3.0
185.13187	6.6
187.11212	2.3
189.12788	1.5
191.10715	3.6
193.10155	4.8
194.10945	2.4
195.11699	13.4
195.13580	1.5
196.12367	2.1
197.09619	2.4
197.13248	11.7
199.11263	2.0
199.14709	2.4
201.12730	1.9
203.10808	1.3
205.10176	2.2
205.12242	2.2
206.10904	1.4
207.11722	5.8
208.12442	2.6
209.09679	1.3
209.13231	12.4
210.13959	1.7
211.11205	3.6
211.14871	6.0
213.12773	2.1
215.10678	2.9
217.12189	2.0
219.11812	1.5
220.12239	1.3
221.13312	5.8
223.11337	2.0
223.14818	10.4
225.12756	2.7
225.16328	2.8
227.10660	3.1
227.14308	1.3
227.17900	1.6
228.11230	1.4
229.12279	3.5
229.15910	2.2
231.13831	1.6
233.13344	2.3
235.14775	3.3
237.12703	3.2
237.16333	7.8
239.14320	2.7
241.12234	1.9
241.15869	1.7
242.12895	1.4
243.13832	2.8
245.15344	2.5
249.16406	1.9
251.14359	4.9
251.17894	1.6
253.15964	2.5
255.13904	2.4
256.14548	1.4
257.15390	1.6
259.16998	4.4
261.16309	1.3
263.18045	2.1
265.15900	4.1
265.19528	2.3
267.17377	1.6
269.15485	8.4
269.18439	1.7
271.16937	12.5
273.18646	1.3
277.15906	2.8
277.19318	1.6
279.17358	2.0
281.15454	1.1
282.15912	1.3
283.16962	3.8
285.18585	4.8
287.20023	2.9
289.15845	1.6
289.19684	1.9
291.17239	1.2
293.19223	1.6
297.18399	4.8
299.20200	1.5
305.19089	1.8
307.20499	5.8
311.19925	2.2
323.20135	1.7
325.21564	21.3
326.22003	3.0
327.23187	1.7
333.22113	1.7
351.23254	2.2
366.25513	3.5
387.23532	1.6
401.28775	1.6
405.23941	1.6
419.29944	6.3
420.29950	1.7
429.27917	7.1
447.29053	12.1
465.29993	100.0
466.30411	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3
Annotation	Dihydrocochloxanthin
Peak:m/z	Relative Intensity
55.01867	3.9
55.05511	13.9
55.84194	2.1
56.14661	2.3
65.39211	1.9
67.05512	19.7
67.23315	1.9
68.05869	2.1
69.03437	3.3
69.07078	9.1
71.04993	2.8
77.75374	2.0
79.05499	10.2
81.07069	15.2
83.04980	33.9
83.08631	2.2
91.05463	17.1
93.07045	35.7
94.07330	2.5
95.04978	6.7
95.08607	33.2
97.06554	4.5
99.04462	2.6
105.07037	27.2
107.08598	24.3
109.06564	6.4
109.10168	14.6
111.04467	15.5
111.08089	13.1
113.05964	2.2
115.05362	2.3
115.41943	2.3
117.07053	8.4
118.42211	2.1
119.08583	33.6
121.06509	7.1
121.10149	17.7
123.08075	5.8
123.11715	5.0
128.06268	6.1
129.07036	7.8
130.07809	2.3
131.07738	3.0
131.08551	16.2
133.10118	21.2
135.08141	2.7
135.11737	10.3
139.07565	9.4
141.06990	4.0
141.09145	2.9
142.07826	6.7
143.08575	20.8
144.09415	2.8
145.06548	7.1
145.10106	27.5
146.10561	2.3
147.08095	7.3
147.11734	12.4
149.09630	2.6
149.13306	3.0
154.07843	3.1
155.08557	20.2
156.09344	6.7
157.10136	27.6
159.08087	6.4
159.11690	20.6
161.09665	11.3
161.13406	5.0
163.07574	3.6
163.11256	5.4
165.07069	2.9
166.07921	3.4
167.08644	8.0
168.09395	7.8
169.10147	27.6
169.11296	2.5
170.10912	4.4
171.11700	24.3
173.09692	9.6
173.13292	13.8
175.11244	8.4
179.08601	10.0
181.10121	13.3
182.10954	5.0
183.11659	24.3
184.12355	3.0
185.09723	8.7
185.13304	17.6
187.11172	5.7
187.14827	6.9
189.12807	7.0
191.10695	3.0
192.09424	2.6
193.10182	9.7
193.12105	2.4
194.10857	4.0
195.11720	18.5
196.12469	5.5
197.09595	10.7
197.13290	17.0
198.14058	2.7
199.11258	8.4
199.14880	9.0
201.12852	9.1
203.14436	4.0
205.10205	4.1
205.12186	2.6
206.10855	3.0
207.11757	12.7
207.13553	3.6
208.12439	5.4
209.09668	3.8
209.13301	24.6
210.10269	2.2
210.14027	3.6
211.11278	11.7
211.14856	16.2
213.12788	5.9
213.16441	2.7
215.10698	5.4
215.14487	8.1
219.11919	4.7
219.13936	7.6
221.13341	11.5
221.15233	3.8
222.14064	2.7
223.11317	7.3
223.14798	16.2
225.12834	7.3
225.16483	7.1
227.14378	6.8
229.12357	6.2
229.49936	3.8
231.13850	3.9
233.13429	3.8
233.15497	8.2
234.13873	2.4
235.14925	10.5
237.12769	7.7
237.16360	13.7
239.14476	5.2
239.17996	3.6
241.15883	5.3
243.13928	2.5
245.15607	3.5
247.14865	7.7
247.17107	3.3
248.15431	3.4
249.12784	5.3
249.16496	9.1
251.14288	11.5
251.18097	4.7
253.15875	15.9
253.19673	3.4
255.17712	2.4
257.15622	3.6
259.17105	3.2
261.16418	5.4
263.14456	3.0
263.18121	4.1
265.16022	9.8
265.19437	4.6
267.14093	3.1
267.17508	4.0
269.15475	6.7
271.16995	13.0
273.18704	3.2
277.16006	8.1
277.19623	3.4
279.17517	7.1
279.21051	4.3
281.19019	4.2
283.16995	5.2
285.18848	4.1
289.16159	2.5
289.19516	3.1
291.17542	7.2
291.21039	3.1
293.19388	3.0
293.22662	4.8
295.17163	3.0
297.18567	7.8
299.20081	2.8
305.18970	5.5
307.20691	8.9
311.20102	3.7
319.20654	3.9
323.20261	5.0
325.21643	7.6
326.22180	3.3
333.22128	14.3
335.23901	5.9
337.21582	3.2
348.24698	4.8
351.23328	3.1
353.24908	3.5
365.24905	3.2
366.25433	16.6
367.26218	2.9
373.21606	6.9
387.23169	6.5
391.22720	5.8
401.28699	4.1
405.28308	17.3
406.28342	3.8
411.27170	6.3
419.29520	13.9
429.27896	47.4
430.28473	2.5
447.29010	97.2
448.29276	11.2
465.30038	100.0
466.30765	12.4
480.56091	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3001
Annotation	Dihydrocochloxanthin
Peak:m/z	Relative Intensity
53.03941	2.8
55.05520	13.0
65.03959	2.0
67.05508	20.5
69.03417	2.6
69.07063	14.6
78.58002	1.6
79.05499	11.4
81.07059	21.3
81.39944	1.7
83.04992	16.2
83.08609	3.9
88.53544	1.6
91.05477	16.3
92.35854	1.6
93.07046	31.1
95.04974	4.1
95.08605	47.3
97.02956	2.2
97.06533	6.4
99.04448	3.4
101.06033	1.7
102.45206	1.9
105.07029	36.6
107.08591	29.8
109.06551	4.8
109.10167	13.6
111.04449	10.0
111.08117	7.2
113.06045	2.8
115.07576	1.9
117.07008	4.9
119.08580	41.0
121.06485	4.4
121.10139	20.3
123.08056	14.5
123.11719	4.9
128.06227	4.0
129.07005	8.8
130.07825	2.8
131.08577	20.8
133.06458	2.3
133.10118	20.8
135.08061	3.4
135.11714	4.9
139.07573	7.1
141.06996	5.5
141.09093	5.8
142.07755	5.9
143.08557	24.1
145.10132	30.3
147.08055	6.3
147.11653	11.4
149.09587	4.5
149.13283	2.9
153.06998	2.2
153.09097	1.9
154.07774	2.8
155.08545	19.2
156.09346	8.9
157.10123	39.9
158.10402	1.9
159.08101	7.8
159.11690	26.4
161.09625	12.8
161.13293	6.0
163.07486	2.5
163.11160	6.5
165.07008	4.0
165.09178	2.3
165.23523	2.0
166.07843	3.1
167.08554	10.5
167.10727	4.0
168.09315	5.2
169.10135	36.6
170.10869	6.3
171.11678	28.5
173.09645	7.8
173.13243	15.9
175.11189	5.6
177.09047	2.1
179.08556	6.4
179.10666	5.5
180.09306	2.4
181.10123	17.6
181.12225	2.2
182.10905	6.6
183.11691	41.1
184.12390	5.5
185.09674	7.3
185.13251	15.8
186.13873	2.1
187.11183	11.1
187.14882	4.8
189.12758	12.9
191.10675	2.2
192.09346	2.0
193.10178	8.1
194.10922	8.0
195.11673	25.7
196.12436	7.2
197.09622	5.5
197.13268	30.2
197.14926	2.9
198.14030	4.5
199.11163	8.6
199.14851	8.7
201.12755	6.6
203.14359	3.4
205.10136	2.6
205.12198	2.5
206.10966	2.0
207.11729	14.2
207.13622	3.2
208.12439	6.7
209.09760	2.8
209.13228	37.0
209.14993	3.0
210.14014	8.2
211.11349	9.9
211.14807	30.1
213.12798	7.3
213.16391	2.9
215.10721	4.4
215.14247	2.1
217.12210	3.5
219.11890	2.1
219.13745	8.7
220.12411	2.3
221.13258	14.4
222.14084	5.2
223.11276	5.7
223.14830	42.0
224.15416	4.2
225.12785	6.9
225.16377	14.2
227.10744	2.2
227.14326	4.8
229.12268	6.2
229.20248	2.3
231.11697	2.7
231.13849	5.7
232.12485	3.7
233.13283	8.3
233.15434	2.9
234.13980	3.9
235.14795	11.3
236.15494	2.5
237.12764	7.8
237.16354	17.7
238.17177	2.5
239.14336	4.9
241.12302	4.1
241.15982	5.2
243.13821	4.5
245.15376	6.6
247.14853	6.2
247.17116	2.3
249.12756	4.3
249.16418	9.4
250.17441	2.4
251.14342	13.6
251.17912	8.9
252.18637	2.3
253.12552	1.9
253.15823	10.1
255.13860	7.4
257.15329	5.2
259.17053	3.3
261.16437	4.8
263.14319	5.0
263.17987	5.4
265.16034	13.0
265.19214	9.8
267.13766	3.4
267.17419	2.9
269.15381	12.8
269.19211	1.9
271.16962	14.6
275.17978	2.7
277.15994	5.6
277.19519	3.3
279.17355	6.2
279.20877	3.7
281.15640	2.5
281.18903	2.0
282.15808	2.9
283.16867	12.1
285.18506	7.9
287.20358	3.2
289.15967	3.7
289.19550	5.5
291.17395	4.1
291.20947	3.8
293.19104	2.4
293.22742	2.4
295.16968	2.1
297.18515	11.1
299.20215	4.5
305.19037	6.8
306.19702	2.8
307.20523	14.9
309.18420	2.3
309.22189	2.6
311.20087	3.4
323.19992	4.3
325.21622	37.4
326.22159	4.8
327.23135	2.5
331.20490	3.1
333.22150	6.4
337.21704	3.4
349.21411	2.6
351.23178	5.5
365.24548	2.0
366.25558	5.2
373.21957	3.3
377.24734	3.4
387.23236	7.4
392.27347	2.6
401.28534	4.1
405.24158	6.4
405.28915	8.6
411.26859	5.5
419.29547	8.1
429.27917	25.4
447.28961	50.0
448.29358	5.8
465.30026	100.0
466.30460	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2999
Annotation	Myricalactone
Peak:m/z	Relative Intensity
55.05508	14.2
57.07066	2.6
67.05518	19.6
69.07072	7.9
69.93815	2.1
79.05511	11.3
81.07056	12.2
83.04982	37.2
83.08637	2.9
91.05474	17.7
91.93920	2.3
93.07047	30.2
95.04971	5.3
95.08609	38.9
97.06543	3.0
99.04462	2.2
104.25593	2.3
105.07027	25.4
107.08591	21.6
109.06522	4.4
109.10166	11.1
111.04464	16.8
111.08078	12.3
113.06007	3.0
117.07040	7.1
119.08576	34.0
121.06505	6.2
121.10159	17.5
123.08110	7.2
129.07025	6.2
131.08572	17.4
133.06512	3.0
133.10159	19.5
135.08107	6.6
135.11713	7.3
137.09676	3.1
139.07576	6.2
141.06985	6.4
142.07860	4.1
143.08563	14.9
144.09296	3.2
145.06516	5.7
145.10135	23.5
146.16478	2.4
147.08064	5.1
147.11693	10.4
149.09650	2.9
153.07045	5.1
155.08543	19.9
156.09366	6.3
157.10120	26.4
159.08073	6.1
159.11690	24.0
160.12299	2.9
161.09673	6.9
161.13229	6.2
163.07576	4.9
163.11221	5.5
165.06953	4.4
167.08604	5.5
168.09369	6.0
169.10135	28.4
170.10852	5.4
171.11696	21.5
173.09662	10.0
173.13271	14.2
175.11215	9.4
179.08607	6.4
180.09454	4.0
181.10068	13.8
182.10889	3.3
183.11710	27.7
184.12532	2.6
185.09621	6.2
185.13257	15.9
186.13907	2.6
187.11206	5.6
187.14818	5.5
189.12769	8.5
192.02274	2.7
193.10110	15.0
194.10973	3.5
195.11722	18.2
196.12573	4.5
197.09651	9.5
197.13239	16.2
198.10063	2.6
198.14044	5.1
199.11147	7.2
199.14894	9.1
201.12782	10.7
205.10175	3.3
205.12236	3.9
206.10950	3.2
207.11710	13.9
207.13748	4.4
208.12436	3.5
209.09628	5.9
209.13210	21.5
210.14087	6.0
211.11224	9.6
211.14813	16.8
213.12859	6.4
213.16487	3.5
215.10715	5.3
215.14279	4.0
217.10193	3.6
218.11082	2.8
219.13820	7.9
220.12451	3.3
221.13269	12.6
222.01038	2.6
222.14030	4.0
223.11281	6.3
223.14732	13.3
225.12810	6.3
225.16528	4.1
227.14276	5.2
229.12192	4.7
229.25928	2.9
231.11765	3.0
231.13950	4.3
232.12498	2.9
233.13297	6.0
233.15453	6.2
235.11098	3.8
235.14821	13.8
237.12796	4.0
237.16411	9.7
239.14328	7.0
241.12234	4.0
241.15988	7.5
243.13818	3.8
245.13142	3.9
245.15472	4.1
247.14726	3.6
249.12741	3.2
249.16429	9.2
251.14400	9.7
251.17934	6.7
253.15912	16.5
255.14056	3.0
255.17410	4.0
257.15445	4.5
261.16470	5.8
263.14420	4.0
263.17975	5.6
265.15912	9.1
265.19162	3.4
267.17542	4.4
269.15405	8.8
270.72339	3.0
271.16907	13.9
275.14294	3.1
277.15967	9.6
279.13809	2.8
279.17465	6.6
279.21024	2.9
281.19174	3.4
283.16968	4.2
285.18481	4.8
287.17975	2.6
289.19290	3.1
291.17639	5.1
291.21097	5.3
293.18863	2.5
293.22546	5.0
295.17108	4.8
297.18469	6.1
299.20123	3.6
305.19101	4.8
307.16934	3.1
307.20566	6.0
315.21109	3.4
319.20584	5.5
323.20117	8.2
325.21725	5.1
333.22238	9.3
335.23737	4.1
348.24612	4.3
351.23343	5.9
365.24582	3.5
366.25443	13.7
373.21494	6.3
387.23114	5.8
391.22711	4.2
405.23407	3.0
405.28192	18.8
409.23782	4.4
411.27234	3.8
412.32892	3.0
419.29535	8.1
429.27963	43.2
430.28055	5.5
440.84366	2.8
447.29025	100.0
448.29251	9.2
460.10373	2.6
465.30118	97.9
466.30402	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3005
Annotation	Dihydrocochloxanthin
Peak:m/z	Relative Intensity
50.32476	1.7
55.05515	10.9
57.07080	2.2
59.24068	1.5
65.03934	2.2
67.05508	22.0
69.03450	3.0
69.07075	7.4
70.40216	4.6
71.79720	1.8
79.01593	1.7
79.05505	11.4
81.07061	18.2
83.04993	11.8
83.08608	3.4
91.05480	22.0
93.07048	31.0
94.07357	2.3
95.04987	6.4
95.08611	51.8
97.06544	4.4
105.07041	24.4
106.07368	1.7
107.08601	25.9
108.08995	2.0
109.06558	3.3
109.10139	12.5
111.04468	5.2
111.08104	8.2
113.05997	2.2
115.05473	1.7
117.07042	5.8
119.08577	49.5
121.06524	4.9
121.10139	15.3
123.08070	11.0
123.11727	4.9
123.58007	2.0
125.09682	2.4
128.06230	3.6
129.07025	7.0
130.07767	2.8
131.08577	13.8
133.10135	16.8
135.08046	19.7
135.11679	6.5
137.09615	7.2
139.07483	2.6
141.07027	4.0
141.09117	3.5
142.07779	7.6
143.08574	23.4
144.09343	2.0
145.10124	26.3
146.10437	1.7
147.08089	5.7
147.11722	7.7
149.09639	7.0
154.07773	4.3
155.08542	16.4
156.09348	6.9
157.10129	29.7
158.10817	3.7
159.08081	3.5
159.11697	21.5
161.09625	13.8
161.13255	8.2
163.11211	5.4
165.07010	3.8
165.09174	2.3
166.07802	2.5
167.08621	4.8
168.09308	5.6
169.10139	22.6
170.10820	4.4
171.11699	23.1
171.48634	1.9
172.08841	3.2
172.12399	2.5
173.09720	3.9
173.13309	5.9
175.11201	5.9
177.12883	2.2
179.08571	5.0
180.09373	4.4
181.10144	16.5
182.10849	3.1
183.11697	21.6
184.12381	3.0
185.09660	6.7
185.13252	9.1
187.11148	12.1
187.14943	2.4
189.12791	5.9
192.09319	2.3
193.10184	10.5
194.10866	4.0
195.11714	14.0
196.12364	4.2
197.09698	1.7
197.13310	15.4
199.11134	6.4
199.14812	7.1
201.12756	5.7
201.16510	2.2
205.10143	4.1
205.12297	2.3
206.10898	5.4
207.11685	14.0
208.12405	5.6
209.13257	18.7
210.13930	4.3
211.11220	3.4
211.14819	9.5
213.12804	5.3
213.16434	2.7
215.14345	3.7
219.11679	4.9
219.13678	1.9
220.12384	5.3
221.13271	19.1
222.13919	5.1
223.11295	2.9
223.14801	15.2
224.15413	3.5
225.12801	4.0
225.16302	10.5
227.14294	8.7
227.17976	2.3
229.15858	3.3
231.11700	2.9
233.13211	5.3
234.13724	3.6
235.14923	8.3
236.15392	3.3
237.12723	3.1
237.16449	8.4
239.14337	6.5
239.18011	3.9
241.15952	10.2
243.13939	2.3
247.14868	4.7
249.16437	6.8
251.14369	9.8
251.17979	4.4
253.15866	10.2
255.17409	2.2
261.16330	3.7
263.17905	6.2
264.18469	2.2
265.15967	6.2
265.19528	4.4
267.17514	9.8
269.19025	4.4
271.17075	2.8
275.17786	2.0
277.15836	3.1
277.19345	1.9
279.17459	13.1
279.20950	5.1
280.21600	2.0
281.19012	4.6
283.17084	2.5
285.18488	2.8
289.19589	5.6
291.21103	3.0
293.18948	5.4
297.18668	2.4
305.19113	5.9
307.20554	25.9
308.21060	3.5
309.18741	2.6
309.22174	2.7
323.19998	4.4
325.21567	11.7
331.20676	2.4
332.15332	1.8
333.22104	5.1
348.24451	3.7
351.23126	3.7
366.25711	3.0
401.28415	5.7
403.26099	4.1
405.27316	7.8
411.26462	3.1
419.29523	14.9
421.27063	9.2
429.27896	19.9
447.28937	100.0
448.29239	10.7
465.29831	53.6
466.30225	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2998
Annotation	Dihydrocochloxanthin
Peak:m/z	Relative Intensity
53.03942	7.2
55.05514	36.3
57.07080	4.4
59.04990	3.7
65.03947	3.8
65.61934	2.9
67.05511	34.2
69.03439	6.1
69.07064	18.8
69.33282	16.5
71.04999	5.3
77.36845	2.6
79.05489	24.0
81.07056	32.1
83.04978	75.7
83.08636	9.6
85.02885	4.0
85.06547	5.7
91.05477	37.9
93.07045	57.3
95.04990	11.9
95.08601	65.8
95.09161	4.6
97.06531	11.3
98.23316	5.6
99.04475	5.9
105.07027	66.6
107.08595	47.0
109.06499	6.1
109.10153	26.6
111.04446	38.5
111.08092	18.8
113.06030	6.6
115.05459	4.2
117.07018	27.9
119.08583	70.5
121.06500	11.6
121.10148	32.3
123.08097	15.9
123.11743	5.5
125.09664	3.2
128.06238	8.1
129.07010	18.1
131.08568	57.0
131.09470	3.6
133.06487	6.5
133.10132	49.7
135.08073	12.7
135.11670	19.9
137.06030	4.5
137.09641	3.7
139.07570	10.7
141.06979	6.8
142.07767	18.2
143.08571	41.0
144.09314	8.8
145.06459	7.2
145.10118	69.5
147.08072	12.8
147.11699	29.7
149.09615	5.3
149.13264	4.5
153.06967	4.5
153.09082	2.6
154.07790	3.1
155.08588	21.5
156.09349	17.7
157.10129	78.4
158.10815	5.6
159.08098	14.0
159.11684	51.3
160.12473	3.6
161.09567	15.2
161.13272	12.7
163.07574	7.5
163.11203	12.0
165.07011	3.5
165.09045	3.6
166.07741	3.0
167.08604	8.7
168.09378	8.2
169.10117	38.0
170.10930	12.4
171.08124	5.6
171.11697	62.5
172.08644	2.7
172.12418	6.9
173.09657	15.8
173.13274	31.8
174.13977	3.2
175.11177	14.1
175.14876	8.0
175.22205	2.8
175.76576	3.1
177.09207	3.6
177.12770	5.1
179.08604	8.5
179.10677	6.3
180.09358	4.5
181.10173	25.5
181.12270	4.5
182.10870	8.6
183.11694	60.2
184.12398	5.0
185.09663	11.4
185.13240	46.8
187.11217	14.0
187.14885	15.8
189.12762	11.0
191.10672	16.1
192.09341	3.6
193.10161	14.6
193.11986	4.6
194.10938	12.8
195.11694	37.4
196.12379	5.7
197.09682	6.2
197.13249	38.4
198.13985	8.3
199.11211	12.8
199.14786	23.4
201.12827	15.3
201.16492	5.6
203.10753	4.2
203.14450	3.1
205.12195	7.0
206.10956	3.7
207.11736	24.8
207.13707	5.9
208.12498	8.6
209.09688	3.9
209.13263	41.1
209.15192	4.3
210.14003	6.9
211.11194	9.5
211.14801	22.5
213.12718	15.5
213.16367	6.0
214.16646	3.1
215.14438	7.1
217.12238	8.5
219.11731	6.4
219.13838	15.9
221.13229	23.7
222.13974	6.4
223.11220	7.0
223.14757	27.6
224.15417	3.8
225.12709	7.0
225.16467	12.0
227.14348	12.4
227.17879	4.1
229.12282	6.1
229.15913	5.0
231.11780	3.8
231.13890	11.0
233.13252	9.5
233.15425	3.6
234.13998	6.3
235.14806	13.0
236.15562	4.4
237.12846	8.0
237.16353	17.2
238.16972	5.2
239.14328	11.3
239.18010	7.8
241.12344	5.7
241.15878	6.9
243.13937	11.0
245.13191	4.4
245.15358	20.0
247.14865	10.2
247.17104	7.1
248.77406	3.7
249.12802	3.5
249.16483	15.1
251.14395	9.9
251.18027	11.6
253.15958	9.8
255.13951	5.2
255.17505	7.4
257.15460	7.9
259.17130	4.4
261.16208	4.0
263.14328	7.5
263.17996	10.5
265.15924	11.1
265.19458	8.8
267.13953	3.5
267.17441	7.1
269.15378	12.3
271.16983	19.9
273.18582	13.0
275.17859	7.0
277.15906	7.3
279.17517	9.8
279.20978	5.1
281.19028	7.6
283.16983	8.8
285.18472	8.2
289.15967	3.5
289.19565	7.1
291.17560	4.3
291.21075	7.5
293.19244	4.9
293.22586	5.7
295.17041	6.4
297.18539	20.0
299.20059	18.0
303.17743	4.1
305.19034	7.6
307.17346	4.2
307.20523	17.7
307.23672	3.5
309.18503	8.2
309.21942	5.2
311.20316	4.9
315.21204	5.1
319.24457	4.0
321.18753	4.1
323.20062	17.2
325.21582	39.9
327.23013	5.8
333.22156	9.7
337.25217	3.8
339.23184	4.8
347.23889	5.4
348.24545	5.0
351.23312	13.5
353.24728	5.1
365.24722	8.9
366.25510	25.0
367.26440	3.4
373.21701	4.1
391.26678	5.1
401.28543	8.9
406.28403	3.4
409.23721	3.8
411.26697	9.6
419.29453	30.1
429.27930	38.3
447.29004	62.8
448.29501	6.6
459.64005	3.3
465.30017	100.0
466.30594	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3002
Annotation	Macrophyllidimer B
Peak:m/z	Relative Intensity
55.05506	10.2
67.05498	21.6
69.07059	9.8
69.23289	38.8
79.05495	16.9
80.52047	5.3
81.07061	30.1
83.04981	16.8
91.05470	25.9
93.07061	45.7
95.04945	8.5
95.08614	84.7
105.07030	33.7
107.08615	31.3
109.06503	5.6
109.10170	16.8
111.04417	11.8
111.08072	8.3
117.07003	11.6
119.08592	42.2
121.06499	5.4
121.10172	18.5
123.08076	8.0
123.11708	7.6
123.77862	4.5
128.06189	6.6
129.07033	14.4
131.08554	34.1
133.10153	40.7
135.11679	15.3
137.05988	5.0
139.07536	7.5
141.07010	5.0
143.08578	29.4
145.10132	33.2
147.11693	20.7
149.13260	5.3
150.45831	4.7
155.08527	8.5
156.09320	7.7
157.06583	5.5
157.10161	25.1
159.11713	36.9
161.09589	8.0
161.13225	9.7
167.08578	7.8
169.10098	16.0
170.10864	7.1
171.08028	28.0
171.11674	24.2
173.09601	10.0
173.13315	21.9
175.11252	9.6
177.09175	6.0
179.08540	4.8
181.10110	13.7
183.08102	7.4
183.11690	11.6
185.09560	7.2
185.13286	25.5
187.11189	12.9
187.14830	20.7
189.09035	5.4
189.12759	6.2
195.11703	9.5
197.09727	6.2
197.13309	12.9
199.11183	5.6
199.14830	8.7
200.58795	4.8
201.12773	13.8
209.13255	8.5
211.14708	9.0
213.12762	33.8
215.14345	20.9
219.13794	6.9
221.13185	7.2
223.14813	9.5
227.14265	21.9
229.15872	7.0
231.13806	15.1
233.15346	20.0
235.14891	6.3
237.16396	8.8
245.15392	17.8
265.15891	6.1
279.21390	5.9
289.19370	7.2
307.20590	10.2
325.21555	19.4
381.27649	6.3
419.29401	14.2
429.27780	17.0
447.29074	34.5
448.29105	6.6
465.29990	100.0
466.30246	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3
Annotation	Myricalactone
Peak:m/z	Relative Intensity
51.02389	1.1
53.03952	3.6
55.01867	2.9
55.05515	18.8
55.62841	1.1
57.03443	1.7
57.07064	2.0
59.04998	1.4
65.03945	3.2
67.05505	28.8
69.03437	3.8
69.07069	15.6
70.35234	3.6
71.05006	3.4
77.03912	1.9
77.29153	1.1
79.05494	20.2
81.03426	5.3
81.07060	26.4
83.04980	22.9
83.05448	1.7
83.08624	7.6
85.02908	2.2
85.06550	2.9
91.05480	23.9
93.07042	37.1
93.07611	1.8
94.07372	1.4
95.04966	10.2
95.08607	49.7
96.08974	1.6
97.02913	1.2
97.06530	7.7
97.10168	1.6
99.04490	3.2
99.08071	1.3
103.05468	1.5
105.07034	35.4
107.04993	2.7
107.08595	29.6
107.09277	2.0
109.06509	6.0
109.10159	17.4
111.04452	8.1
111.08064	11.6
113.06009	2.2
115.05477	1.9
117.07010	9.2
119.08573	41.0
121.06506	7.8
121.10139	19.3
121.32958	1.3
123.08061	14.8
123.11757	5.1
125.06023	1.6
125.09639	3.0
127.07590	1.4
128.06248	5.2
129.07004	9.3
130.07816	1.2
131.08565	19.2
133.06512	2.1
133.10124	24.5
135.08037	6.1
135.11699	12.3
137.09663	3.6
137.13268	1.9
139.03946	2.0
139.07571	7.9
141.07007	3.8
141.09151	4.9
142.07765	7.8
143.08566	23.2
144.09377	2.1
145.06531	2.0
145.10123	27.6
147.08067	8.2
147.11690	12.6
149.09673	5.1
149.13324	2.7
151.11340	1.5
153.05531	2.7
153.07021	2.7
153.97766	1.2
154.07835	1.5
155.08566	20.2
156.09383	6.9
157.10121	37.5
158.10861	3.6
159.08089	5.9
159.11676	22.2
160.08778	1.3
160.12151	2.1
161.09602	9.1
161.13243	7.0
163.03973	1.5
163.07614	1.9
163.11230	5.7
165.07088	4.2
165.09193	3.1
166.07870	2.9
167.08609	6.1
168.09412	4.5
168.11699	1.1
169.10146	34.1
169.11517	2.0
170.10864	5.3
171.08058	2.2
171.11691	23.8
172.12332	2.2
173.09679	7.1
173.13240	8.6
175.07616	1.3
175.11179	8.4
175.14851	1.8
177.09167	2.4
178.07816	2.0
179.08498	6.5
179.10725	5.3
180.09346	3.3
181.10187	15.0
181.12270	3.1
182.10861	5.9
183.08192	2.0
183.11687	33.4
184.12372	4.0
185.09668	6.0
185.13280	16.9
186.13878	1.3
187.11238	7.8
187.14865	3.1
189.12753	10.6
191.10709	2.7
192.09471	2.3
193.10216	12.9
193.12292	4.4
194.10864	7.3
195.08150	1.3
195.11684	19.1
196.12440	6.3
197.08044	2.0
197.09512	6.7
197.13246	18.7
198.14040	4.5
199.11102	5.7
199.14870	7.3
201.12773	5.9
201.16402	1.3
203.10780	1.5
203.14453	2.7
205.10178	3.3
205.12270	2.8
206.10950	4.0
207.11678	15.5
207.13518	1.5
208.12433	7.5
209.10028	2.2
209.13254	30.0
210.10338	1.3
210.13979	4.3
211.11339	10.1
211.14842	24.6
212.15692	1.9
213.12746	6.3
213.16499	3.5
215.10818	3.7
215.14375	3.7
217.12338	4.1
219.11806	5.3
219.13928	4.8
220.12506	3.8
221.09801	1.8
221.13274	16.9
221.15291	2.1
222.14136	3.6
223.11288	5.3
223.14818	28.3
223.16872	1.9
224.11754	1.3
224.15486	3.7
225.12790	6.0
225.16354	8.2
227.10898	2.6
227.14423	5.0
229.10231	2.2
229.12386	5.7
231.11775	2.9
231.13928	4.1
232.12500	2.4
233.13361	6.0
233.15489	4.7
234.14154	1.5
235.11308	2.0
235.14864	11.5
236.15564	2.0
237.12679	5.7
237.16376	13.0
238.16978	2.0
239.14326	5.6
239.18065	2.6
241.12320	4.5
241.15961	3.1
243.13875	4.2
245.13344	1.8
245.15425	7.7
246.13989	2.1
247.14888	6.1
247.17021	3.0
248.15536	2.0
249.12894	3.6
249.16397	8.1
250.13493	1.4
250.17230	1.5
251.14325	11.5
251.17909	6.9
252.18634	3.9
253.15851	11.0
254.16629	1.6
255.13902	5.5
257.15530	3.6
259.14709	1.7
259.17084	3.0
261.16531	4.2
263.14584	3.2
263.18024	6.2
265.15958	11.0
265.19437	6.4
266.16479	1.3
267.13675	2.2
267.17618	4.3
268.18103	1.3
269.15451	12.9
270.16125	1.9
271.17004	13.0
273.16177	2.0
275.14423	1.8
275.17929	1.5
277.15967	4.0
277.19614	1.8
279.14227	1.4
279.17569	6.8
279.20959	2.8
281.15533	2.5
281.19095	2.1
283.16980	10.4
285.18488	6.5
287.14838	1.3
287.17773	3.1
289.16214	2.6
289.19620	4.2
291.17563	4.6
291.20911	2.3
292.22037	1.3
293.19049	4.0
293.22525	1.9
295.16937	2.2
297.18600	9.3
299.20224	3.9
303.05237	4.9
303.17410	1.5
305.19025	5.9
307.20462	11.4
309.18628	3.0
309.22052	2.1
311.20224	5.1
317.22778	1.5
323.20187	3.6
324.20773	1.9
325.21652	27.4
325.25204	1.9
326.22134	3.8
329.18997	1.5
331.20511	1.6
333.22079	6.9
335.23840	1.4
337.21512	2.6
347.19794	1.9
349.21619	2.3
351.23322	6.5
359.23828	2.5
363.23132	1.9
365.24918	2.3
366.25684	5.1
373.21591	3.2
377.25021	2.4
387.22952	8.1
392.27368	1.8
401.28693	1.8
405.24228	6.1
405.28882	7.0
409.23691	2.1
411.27115	2.8
419.29956	7.1
423.25027	1.4
429.28012	26.3
430.28491	1.8
447.29166	45.2
448.29340	5.1
465.19345	2.7
465.30185	100.0
466.30847	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.5
55.05513	51.4
57.03448	4.8
57.07085	6.2
58.50691	3.4
65.03953	4.3
67.05502	33.7
69.07074	22.5
74.46622	3.2
79.05499	26.2
81.07067	35.1
83.04979	83.2
83.05463	6.1
83.08646	7.8
85.06580	5.8
91.05486	37.0
93.07040	53.6
95.04979	12.7
95.08607	71.3
96.08920	6.0
97.06547	7.3
97.10172	5.4
98.22575	11.1
99.04498	4.4
105.07035	50.0
106.07423	4.0
107.08594	45.7
109.06539	6.9
109.10144	30.3
111.04446	39.8
111.08088	16.0
113.06010	6.4
115.05469	6.7
117.07003	22.0
119.08579	82.4
121.06502	16.3
121.10136	32.5
123.08070	19.5
128.06252	6.2
129.07042	13.4
130.07811	4.5
131.08557	44.3
133.06520	5.5
133.10118	45.7
135.08083	14.8
135.11693	17.7
137.09612	5.6
139.07564	14.7
141.06999	11.2
141.09071	6.5
142.07794	14.3
143.08588	48.6
144.09337	4.1
145.06453	6.0
145.10110	69.6
147.08058	10.6
147.11703	29.9
149.09627	12.3
155.08528	22.4
156.09332	14.1
157.10127	64.1
158.10869	7.2
159.08086	12.4
159.11691	50.3
161.09636	14.7
161.13268	18.9
163.11191	10.8
167.08606	9.0
168.09315	5.6
169.10126	37.3
170.10849	9.6
171.08142	4.6
171.11681	52.2
172.08888	4.1
172.12260	6.9
173.09639	25.9
173.13239	30.5
175.11208	8.4
177.09175	7.2
177.12738	4.8
179.08603	10.1
181.10103	19.5
181.12283	4.4
182.10912	7.5
183.11720	41.6
184.12383	5.1
185.09671	13.3
185.13258	51.6
187.11189	9.8
187.14848	17.8
189.12814	12.3
191.10669	21.1
192.09442	4.9
193.10152	13.6
193.12224	5.2
194.10928	8.5
195.08122	4.5
195.11687	35.8
196.12447	10.8
197.09459	7.3
197.13240	30.3
198.14127	4.1
199.11224	14.7
199.14815	19.7
201.12732	12.5
201.16409	10.1
202.17215	4.8
205.12181	6.9
207.11703	22.7
207.13777	9.7
208.12338	7.9
209.09669	5.3
209.13219	39.0
210.13910	4.8
211.11200	14.1
211.14758	19.2
213.12741	17.3
215.10751	5.5
215.14316	5.2
217.12253	6.0
219.11674	10.4
219.13823	16.8
220.12306	4.4
221.13266	20.9
222.13751	5.7
223.11270	9.2
223.14832	21.0
224.11977	4.9
224.15504	8.2
225.12767	13.0
225.16341	7.8
227.10820	4.8
227.14345	14.9
229.12201	4.8
229.15941	8.7
231.13937	10.8
233.13245	12.1
233.15411	6.2
235.11188	6.1
235.14882	18.1
237.12759	12.1
237.16350	15.6
239.14433	6.9
239.17917	6.7
241.12236	7.2
243.13847	6.3
245.15465	15.6
247.14827	9.9
247.17075	5.1
249.12779	4.8
249.16362	11.4
251.14230	9.0
251.17918	12.2
253.12267	7.5
253.15944	9.1
255.17648	7.2
257.15411	7.5
261.16327	8.6
262.17130	3.7
263.14362	8.1
263.17813	6.5
265.15958	12.8
265.19464	5.5
267.13858	6.4
267.17523	5.8
269.15417	16.8
271.16931	11.7
273.18588	17.4
275.14374	4.1
277.15958	5.6
277.19431	3.8
279.17383	12.6
279.21173	3.8
281.18988	7.4
283.16956	11.5
285.18524	6.6
289.15799	4.7
291.17490	7.2
293.15335	4.8
293.18805	5.0
295.16943	8.7
297.18512	13.7
299.20047	15.1
301.15720	4.3
301.21747	5.3
303.04947	10.7
305.18918	8.3
307.16895	9.9
307.20435	12.0
308.21039	4.4
309.18558	5.5
311.01852	3.9
311.20175	7.7
323.19974	7.0
324.20560	4.3
325.21661	26.7
326.18863	5.6
326.22449	15.4
327.22986	4.8
333.18347	6.5
333.22012	7.3
335.19986	6.3
337.21701	5.5
339.23373	5.2
347.23972	4.0
348.24692	4.8
351.23175	6.2
353.12753	4.9
365.24857	6.6
366.25403	10.5
387.80188	4.4
401.24487	8.7
405.24005	5.7
411.26953	4.6
419.25006	8.8
419.29971	9.3
429.28433	22.7
447.29971	27.8
465.30243	100.0
466.30475	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3005
Annotation	Myricalactone
Peak:m/z	Relative Intensity
53.03951	2.7
55.01888	4.8
55.05514	19.6
57.03422	2.5
57.07075	2.5
66.85451	2.3
67.05508	27.1
69.06029	2.0
69.06363	18.3
69.07061	13.9
71.05010	4.1
79.05498	22.2
81.03441	6.4
81.07063	24.0
83.04987	41.8
83.08627	7.9
85.02917	3.1
85.06570	4.2
86.81911	2.1
91.05485	21.2
93.07041	36.9
93.07540	2.8
95.04988	15.0
95.08614	37.7
97.06557	7.4
97.10190	4.2
97.87639	2.1
98.23409	4.5
99.04487	3.5
105.07036	30.6
107.08598	27.9
109.06534	8.0
109.10159	19.2
111.04443	21.4
111.08098	8.7
117.07018	12.9
119.08595	26.8
121.06543	6.6
121.10147	23.0
123.08110	9.2
123.11710	3.9
128.06265	4.1
129.07028	10.1
130.07800	2.7
131.08591	29.4
131.09508	3.1
133.10135	22.4
135.08083	3.9
135.11690	14.9
137.09592	3.5
139.07619	4.3
142.07787	7.0
143.08569	19.6
144.09357	3.5
145.10126	31.2
147.08118	7.3
147.11662	17.1
149.02391	2.6
149.09624	4.5
149.13344	4.4
153.07019	2.8
154.07768	3.7
155.08546	12.9
156.09384	8.4
157.10146	35.0
158.10674	2.1
159.08081	4.4
159.11714	23.3
161.09641	7.0
161.13261	3.7
163.07605	2.3
163.11259	9.3
165.07037	4.7
166.07806	3.1
167.08629	6.4
168.09386	4.7
169.10123	22.0
170.10933	4.2
171.08102	3.0
171.11659	23.6
172.12555	3.1
173.09718	9.4
173.13315	15.4
175.11276	6.7
175.14909	2.3
179.08585	6.8
179.10721	2.9
180.09407	2.6
181.10150	16.4
181.12265	5.4
182.10825	5.3
183.11673	30.5
184.12332	2.3
185.09691	6.1
185.13261	19.5
187.11266	7.7
187.14890	7.9
189.11261	2.3
189.12851	7.8
191.10838	3.6
193.04958	2.4
193.10178	13.5
193.12315	6.6
194.10915	5.7
195.11690	24.5
196.12503	7.7
197.09679	4.0
197.13251	22.8
198.13864	2.3
199.11263	9.4
199.14871	9.0
200.11826	3.1
201.12823	8.7
203.10487	2.7
203.14372	2.9
205.10385	2.6
205.12323	3.0
206.10957	3.5
207.11771	17.8
207.13774	3.6
208.12511	4.0
209.13255	26.2
211.11304	5.0
211.13229	4.6
211.14934	13.8
213.12834	9.9
213.16446	3.4
215.14339	3.8
217.12271	4.0
219.11725	5.8
219.13913	6.4
220.12523	4.7
221.13396	15.4
221.15451	3.9
222.13866	3.7
223.11336	4.4
223.14798	21.6
224.15471	3.5
225.12837	6.8
225.16400	5.6
227.14377	4.5
229.15977	6.7
231.11748	4.0
231.13885	3.6
233.13310	4.6
234.14001	4.1
235.14804	13.4
236.15660	3.2
237.07727	2.7
237.12778	5.2
237.16409	11.9
238.17093	3.3
239.14349	4.8
239.17957	5.2
241.12238	3.7
241.15991	4.1
243.13937	3.3
245.13177	2.6
245.15443	6.2
246.14064	2.4
247.14793	5.2
247.17043	6.3
249.12730	4.8
249.16486	9.6
251.14403	5.7
251.18060	7.0
253.15929	5.1
255.13879	6.0
256.26611	2.7
257.15479	6.8
259.14804	4.3
259.17285	3.4
261.13019	2.8
261.16382	3.5
263.14487	5.3
263.18051	8.2
265.16046	7.2
265.19684	4.5
266.20145	2.5
267.13864	5.5
267.17703	2.4
269.15427	7.2
271.16989	6.2
273.18655	5.6
275.18069	5.1
277.16022	4.6
277.19760	2.9
278.20401	2.4
279.14471	2.2
279.17615	7.1
281.15503	5.4
281.19040	2.6
281.22705	2.8
283.17038	7.6
284.17496	3.1
285.18643	6.7
289.15994	2.5
289.19476	4.0
291.17734	2.8
291.21222	3.3
293.22607	6.0
295.16916	5.3
297.18387	11.0
299.20242	7.4
303.17621	4.0
305.19067	4.4
307.17355	3.8
307.20276	11.1
309.18704	4.8
309.22385	4.3
311.20145	5.7
319.20755	3.2
323.19977	11.2
325.21606	19.6
333.22049	5.3
337.21536	2.7
337.25229	2.7
345.22583	3.2
347.24066	2.4
351.23318	7.3
353.24780	3.1
365.24969	6.3
366.25504	11.9
377.21097	4.0
391.22403	3.3
401.28720	2.8
405.28384	5.8
411.27164	3.3
419.29559	7.8
423.25714	3.2
429.28159	17.5
447.29083	34.1
448.29135	3.3
465.30057	100.0
466.30820	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39121	1.2
51.76667	1.2
53.03941	1.6
53.76243	1.2
55.05503	6.8
57.07080	2.9
61.18600	1.2
67.05502	19.0
69.03425	2.0
69.06733	1.2
69.07048	6.3
69.15605	9.2
69.15917	1.4
71.04996	1.3
79.05495	8.4
81.07055	14.4
82.83051	1.1
83.04991	10.4
83.08617	1.5
85.06564	2.0
91.05477	16.1
93.07038	25.8
95.04964	3.3
95.08606	42.9
97.06544	2.7
97.10136	1.7
98.22938	5.0
105.07028	19.1
107.08590	20.2
109.06535	2.2
109.10159	14.1
110.71449	1.0
111.04436	5.1
111.08054	6.1
115.05459	1.9
117.07027	4.8
119.08582	46.8
119.09451	2.4
120.08879	1.5
121.06487	4.6
121.10149	12.5
123.08071	13.5
123.11712	2.0
124.85461	1.5
125.09608	2.9
128.06219	3.1
129.06976	5.6
130.07782	1.8
131.08554	13.4
133.06509	1.5
133.10135	13.3
135.08052	16.0
135.11705	5.9
137.09639	5.3
138.06422	1.4
139.07527	4.5
141.07007	5.0
141.09096	3.3
142.07771	5.6
143.08551	16.3
143.27251	1.2
144.09334	1.8
145.10120	21.2
147.08066	4.1
147.11678	7.1
149.09641	3.6
153.07019	2.8
154.07793	2.1
155.06201	1.4
155.08566	16.2
156.09305	4.8
157.10118	25.6
159.08061	2.5
159.11661	16.9
160.12299	1.3
161.09618	12.1
161.13254	6.2
163.11185	4.7
165.07021	2.5
165.49364	1.2
167.07079	2.3
167.08591	6.1
168.07364	1.3
168.09315	4.1
169.10143	18.3
170.10832	4.2
171.11708	16.7
172.12354	1.9
173.08238	1.3
173.09592	6.1
173.13240	7.3
175.11139	3.2
175.14801	1.8
179.08589	3.0
179.10646	2.2
180.09291	3.5
181.10115	12.6
182.10870	2.8
183.11652	15.6
184.12389	2.7
185.09633	3.8
185.13249	10.7
187.11200	9.4
187.14815	2.8
189.12744	4.8
192.09306	2.8
193.10103	11.0
194.10840	4.8
195.11682	12.7
196.08885	1.4
197.09608	2.1
197.13243	10.7
199.11221	4.6
199.14844	4.4
201.12712	5.0
203.14264	1.6
205.10101	3.1
205.11989	1.7
206.10948	5.4
207.11697	9.0
207.13553	1.8
208.12405	6.0
209.09718	1.9
209.13206	12.9
210.13953	3.1
211.11258	2.2
211.14845	7.2
213.12759	3.8
213.16370	2.8
215.14325	2.8
217.10294	1.4
219.11658	4.7
220.12495	3.2
221.13242	15.3
222.13940	2.7
223.11172	1.9
223.14825	16.0
224.15382	2.0
225.12720	3.9
225.16347	7.3
227.14305	9.4
229.15941	2.0
232.12573	1.5
233.13254	5.7
233.15295	1.4
234.13918	2.0
235.14775	9.4
236.15434	2.0
237.12645	2.4
237.16537	6.2
239.14256	7.2
239.18002	3.0
241.15839	8.1
242.16400	1.2
245.13284	2.2
246.13840	1.5
247.14882	5.7
248.15529	1.7
249.16423	6.6
250.13589	1.4
251.14281	10.9
251.17941	2.6
253.15865	13.3
255.17459	1.8
261.16382	4.1
263.17902	5.9
264.18588	1.8
265.15845	3.4
265.19540	2.9
267.17343	7.5
269.15427	1.5
269.19034	3.5
273.16281	1.7
275.18103	2.8
277.15961	1.7
277.19315	2.3
279.17453	10.9
279.21069	4.0
281.19083	5.8
283.20505	1.6
289.16678	1.4
289.19449	7.6
291.17709	2.1
293.19034	5.6
297.18573	1.8
297.21927	2.0
305.18930	3.7
307.20551	27.2
308.21063	3.0
309.22003	1.6
311.20294	1.4
315.20724	1.6
319.20612	2.9
323.20132	1.5
325.21704	8.5
331.20630	2.5
333.22073	5.6
351.23260	1.7
361.21432	2.2
383.27347	1.6
401.28412	3.1
403.26254	4.4
405.27878	3.0
411.26620	3.5
419.29504	12.3
421.27316	11.3
429.27893	20.9
430.28149	2.8
447.28915	100.0
448.29489	9.4
465.30005	23.5
466.30243	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3002
Annotation	Dihydrocochloxanthin
Peak:m/z	Relative Intensity
53.03939	5.0
55.01882	6.9
55.05515	37.0
57.03439	5.3
57.07071	17.9
62.11584	3.4
65.03954	6.1
67.05508	39.5
69.07074	36.2
69.23605	19.4
71.08626	12.3
79.05503	27.7
81.07064	47.5
83.04985	49.6
83.08626	16.0
84.05363	4.3
85.06551	13.2
91.05478	29.5
93.07044	56.3
95.04967	11.4
95.08607	79.3
97.06562	8.0
97.10146	9.9
98.98468	18.0
105.07032	41.7
107.08598	39.6
109.06536	9.4
109.10152	29.9
109.38474	4.3
111.04444	28.7
111.08064	18.7
117.07043	10.5
119.08580	50.9
121.06522	10.9
121.10155	33.8
122.10534	4.6
123.08068	25.3
123.11678	9.6
128.06203	4.5
129.07039	12.9
131.08569	22.0
133.10143	32.2
135.08075	12.7
135.11655	20.1
136.21443	4.1
137.05954	8.4
137.13338	4.7
139.07523	12.4
141.07016	6.6
142.07762	11.0
143.08540	34.6
145.10136	41.2
147.08031	9.5
147.11659	21.6
149.09584	6.6
151.07541	5.6
153.07059	4.4
153.09177	5.1
155.01035	20.0
155.08557	19.7
156.09297	13.5
157.10120	49.5
158.10873	4.6
159.08119	6.7
159.11697	39.0
161.09651	12.9
161.13284	8.8
163.11179	8.2
165.05571	6.7
166.06303	5.2
167.07010	18.1
167.08464	7.4
168.07475	6.0
168.09352	10.2
169.10153	32.7
170.10915	9.4
171.11703	39.7
172.12392	5.2
173.09653	9.2
173.13243	20.5
175.11211	9.2
175.14853	4.4
179.08531	8.2
180.09224	4.5
181.10101	26.1
181.12253	5.3
182.10922	13.6
183.11690	49.4
183.95158	4.1
184.12431	6.7
185.09668	8.4
185.13219	21.7
186.13898	4.2
187.11203	11.5
187.14809	9.4
191.10635	4.8
193.10162	9.4
194.10895	12.4
195.08121	6.8
195.11700	37.3
196.12360	5.5
197.09622	9.5
197.13264	33.6
198.14015	11.2
199.11217	13.6
199.14899	13.9
201.12807	12.3
206.10896	4.0
207.11794	19.3
208.12428	9.1
209.09648	6.0
209.13232	30.5
210.13962	7.1
211.11162	7.0
211.14798	19.3
213.12811	9.2
213.16287	5.3
215.14342	7.6
219.11627	10.8
219.13823	7.3
220.12451	5.9
221.13335	24.3
222.13893	4.2
223.11360	8.3
223.14806	21.5
224.15233	4.1
225.12872	7.0
225.16393	10.8
227.14365	8.2
227.18163	4.4
229.15765	5.5
233.13358	8.2
235.11063	4.0
235.14792	19.4
237.12808	5.6
237.16402	18.2
239.14359	12.1
239.17932	4.2
241.15926	6.2
245.15448	8.6
247.14827	7.7
249.12732	5.6
249.16393	12.7
251.14253	10.8
251.18002	6.3
253.15814	8.6
255.17487	5.2
257.15405	5.4
261.16235	4.5
263.14542	5.1
263.17896	10.3
265.15930	13.4
265.19464	10.2
267.13852	4.0
267.17380	6.1
269.15509	10.8
271.16986	13.4
277.15863	7.3
279.17673	6.9
279.21140	10.3
281.22879	4.6
283.17087	9.5
283.20450	9.5
285.18665	7.2
289.19333	5.7
291.17334	5.8
293.19006	5.1
293.22449	4.9
295.16879	5.8
297.18411	11.4
299.20010	5.2
303.05005	7.2
303.17456	5.2
305.18887	7.0
307.20538	29.1
309.18198	4.2
309.21878	5.9
311.20084	11.2
311.25821	47.3
323.19965	9.5
325.21680	34.2
327.23126	9.5
333.22012	6.0
337.21365	4.5
349.21112	5.0
351.23318	6.5
355.26532	4.6
365.24567	5.2
366.25592	12.9
367.25742	5.3
399.70898	4.2
401.28238	5.5
405.24033	5.2
411.26758	4.1
419.29602	18.5
429.27869	28.3
429.33142	6.2
447.24258	4.1
447.29105	68.0
447.34412	7.7
448.29196	6.1
465.19632	5.4
465.29886	100.0
466.30429	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01853	2.0
55.05512	13.8
57.03434	2.4
57.07064	2.5
63.20229	1.0
65.03941	2.2
67.05500	23.0
68.05846	1.6
69.03426	3.5
69.07074	19.5
71.04997	3.2
71.29382	2.0
73.06554	1.2
79.05502	17.8
80.05818	1.3
81.07056	25.3
83.04981	19.0
83.08624	4.3
84.05297	1.3
85.02899	2.7
85.06525	2.2
91.05482	24.6
92.09538	1.2
93.07043	32.9
94.07351	1.5
95.04974	7.3
95.08606	53.4
96.08955	2.6
97.06547	7.3
97.10119	1.5
99.04462	2.6
99.08070	1.5
103.05466	2.1
105.03405	9.5
105.04539	1.9
105.06374	2.3
105.07035	34.5
106.07343	1.4
107.04974	2.3
107.08600	28.0
108.08972	1.7
109.06492	5.7
109.10159	17.0
111.04432	7.5
111.08073	12.8
113.06024	2.3
115.05458	4.4
115.07560	2.6
117.07008	12.7
119.08577	36.5
120.08882	2.2
121.06506	7.4
121.10139	17.2
123.08065	14.2
123.11709	4.3
125.06018	1.2
125.09611	2.1
127.07565	2.6
128.06221	5.4
129.07005	12.0
130.07771	3.3
131.08563	20.9
133.06464	1.5
133.10138	25.3
134.10501	2.0
135.08052	6.2
135.11690	9.4
137.06007	2.5
137.09610	2.8
139.07510	7.9
141.06979	7.8
141.09111	4.6
142.07788	10.4
143.08556	32.6
144.09291	2.2
145.06470	5.2
145.10130	29.2
146.10655	1.6
147.08018	8.0
147.11668	12.5
149.08522	1.3
149.09636	4.5
149.13263	2.6
151.11189	1.4
153.06967	3.5
154.07800	3.9
155.08557	24.2
156.09346	8.1
157.06494	1.8
157.10130	34.7
158.10640	1.4
159.08095	8.5
159.11684	21.2
160.12061	1.2
161.09627	14.7
161.13266	7.0
163.07492	2.3
163.11198	3.4
165.07018	4.3
165.09117	2.5
165.67093	1.4
166.07799	2.8
167.07224	1.7
167.08563	7.6
167.10661	1.3
168.09352	5.5
169.10130	35.7
170.10745	5.4
171.08026	5.2
171.11697	24.9
171.90485	1.2
172.12222	1.2
173.09671	7.2
173.13255	10.1
175.11192	7.8
175.14900	1.3
177.09138	2.7
178.07715	1.4
179.08473	6.9
179.10638	5.2
180.09259	4.5
181.10121	17.6
181.11888	2.0
182.10938	6.5
182.12341	1.1
183.08084	3.3
183.11693	30.1
184.08763	1.2
184.12234	3.8
185.09647	10.3
185.13275	17.4
186.10226	1.2
187.11241	10.9
187.14818	4.7
189.09023	1.8
189.12715	7.2
191.08595	1.4
191.10678	1.4
192.09352	3.3
193.10112	9.4
193.11707	1.2
194.10884	6.6
195.11716	21.5
195.13419	0.8
196.12524	6.6
197.09624	8.4
197.13271	18.3
198.13858	2.6
199.11235	8.0
199.14882	7.6
201.09047	2.0
201.12802	6.7
203.08707	1.3
203.10707	4.9
203.14302	2.4
205.10121	3.3
205.12257	4.2
206.10883	4.7
207.11729	15.3
207.13655	2.7
208.12292	5.1
209.09715	5.8
209.13245	24.9
210.10243	2.3
210.13805	3.7
211.11218	10.0
211.14839	16.5
212.11366	1.6
212.15323	2.4
213.09288	1.4
213.12791	7.5
213.16229	2.9
215.10658	8.2
215.14383	5.8
216.09340	1.3
217.10156	2.6
217.12257	4.2
219.11685	6.1
219.13815	3.1
220.12227	2.8
221.09686	1.4
221.13324	8.0
222.13908	4.3
223.11243	5.5
223.14789	18.9
224.15338	2.9
225.12825	10.3
225.16316	7.0
226.13205	2.0
227.10680	3.3
227.14294	6.9
229.12160	6.5
229.15910	2.4
231.11665	2.9
231.13799	7.0
232.12292	2.6
233.13226	7.3
233.15381	4.8
234.13960	2.8
235.11063	3.0
235.14835	8.2
236.11934	2.4
236.15439	2.2
237.12715	6.4
237.16408	7.6
238.13507	1.4
239.14253	9.3
239.18028	2.1
241.12239	4.7
241.15865	3.9
243.11497	2.4
243.13834	4.1
245.13156	2.7
245.15318	9.7
246.13857	1.8
247.11140	2.1
247.14786	5.2
249.12743	5.0
249.16432	6.0
250.13457	1.8
251.14319	9.2
251.17896	4.5
252.18716	1.3
253.12250	4.0
253.15826	6.0
254.12949	1.4
255.13850	4.9
257.15402	3.5
259.17004	3.7
261.16278	3.9
263.14310	4.9
263.17947	6.3
265.12250	1.9
265.15872	5.9
265.19211	6.0
267.14069	1.5
267.17444	4.7
269.15363	13.5
269.18085	1.8
271.17004	9.1
275.14413	2.2
275.17776	1.6
277.15872	3.7
277.19339	1.4
279.17438	7.1
279.20685	2.3
281.15341	1.3
283.16971	4.7
285.18585	5.8
287.20331	2.6
289.15866	3.1
289.19479	4.6
291.17422	2.9
291.20883	2.0
293.15305	1.6
293.18832	2.5
293.22098	1.4
295.16959	2.0
297.18549	6.7
303.04974	2.1
303.17419	2.6
305.18896	5.4
307.16852	2.9
307.20499	10.7
309.18402	2.9
309.21805	2.7
311.19904	3.8
316.27026	1.3
319.20514	2.0
323.19986	5.1
325.18118	1.8
325.21588	25.0
326.22046	2.4
327.23053	2.0
331.20581	2.0
333.18344	3.0
333.21988	2.9
337.02283	2.0
337.21402	2.1
343.20593	1.6
345.22089	2.0
349.21356	1.5
351.23178	5.1
359.23566	1.6
363.23352	1.5
365.24692	2.3
366.25378	5.3
373.21368	3.3
387.23068	4.6
389.25021	1.6
391.22522	1.7
393.08685	5.1
401.24487	3.6
401.28494	3.6
405.28320	3.0
409.23550	1.5
411.27106	2.2
419.24771	2.3
419.29291	5.4
429.23376	3.9
429.28769	10.9
447.24530	10.6
447.28983	20.3
448.29300	2.0
465.30270	100.0
466.30640	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.4
54.45787	1.3
55.01873	4.9
55.05510	17.9
57.03446	3.3
57.07078	28.1
65.03938	5.0
65.31798	1.3
67.05508	15.3
69.03438	2.9
69.07067	24.2
69.30680	10.7
69.59323	1.3
71.08627	20.3
71.99370	1.4
78.08074	1.6
79.05489	10.4
81.03404	1.7
81.07053	16.6
83.04976	21.5
83.08608	8.0
85.06542	3.5
85.10162	10.2
91.05453	11.2
93.07053	19.2
95.08602	25.1
97.06510	6.9
97.10153	7.0
99.04443	7.0
99.08095	2.9
105.07011	13.5
107.04966	4.8
107.08581	14.5
109.02885	1.9
109.06526	5.6
109.10127	12.2
111.04449	20.8
111.08075	8.6
111.11725	4.2
114.02720	1.7
117.07037	4.6
119.08585	15.6
121.06484	4.6
121.10139	12.2
122.48035	1.8
123.04420	2.3
123.08061	7.3
125.02348	15.6
125.05973	15.2
125.09614	3.4
127.03947	8.5
129.07010	4.5
129.16135	1.5
131.08583	10.3
133.10144	10.9
135.04437	6.4
135.08037	2.8
135.11685	5.5
137.05975	4.7
137.07097	1.4
137.09613	2.8
139.03882	3.0
139.07558	5.0
141.05476	1.5
141.07051	2.7
141.09039	1.8
142.07767	3.3
143.08514	10.6
145.10095	14.9
147.08035	3.0
147.11717	7.6
149.09628	5.8
149.13295	3.1
151.03877	1.6
151.07552	5.9
151.11211	1.6
153.05463	99.6
155.08539	7.1
156.09306	2.3
157.10138	14.2
158.10619	2.2
159.08095	3.5
159.11710	10.3
161.09610	4.3
161.13277	3.4
163.07533	3.3
163.11235	3.5
163.14851	2.0
165.09203	2.0
167.07100	8.3
167.08414	2.3
168.09360	2.4
169.04974	2.6
169.10100	12.7
170.10823	2.6
171.11658	9.8
173.09607	3.6
173.13286	6.2
175.11183	3.5
177.09120	3.9
177.12785	3.0
179.08653	1.7
179.10695	3.9
181.05019	6.7
181.08618	7.1
181.10129	5.3
181.12236	2.0
182.10977	1.9
183.08087	1.7
183.11719	12.9
185.09683	2.3
185.13251	7.5
187.06058	4.5
187.11212	2.7
187.14857	3.5
189.12766	5.1
191.10669	4.2
191.14264	1.6
193.10182	4.3
193.12181	2.6
194.10982	2.5
195.06682	1.7
195.10280	8.7
195.11572	9.7
196.12434	2.6
197.09641	3.4
197.13252	9.6
199.06010	100.0
199.14801	4.3
200.06461	2.1
201.12741	4.2
205.12210	2.8
207.11714	6.9
207.13733	3.2
209.11685	3.8
209.13394	9.6
211.11211	6.1
211.14879	5.4
213.07562	4.7
213.16373	2.2
215.10712	2.7
215.14326	2.4
219.11870	1.6
219.13823	4.9
221.13239	6.3
221.15338	3.2
223.09541	2.6
223.13257	4.4
223.14922	5.1
225.12817	3.6
225.16359	2.1
227.08983	2.7
227.14314	2.5
229.12227	2.1
233.13197	2.3
233.15343	3.0
235.14774	5.0
236.15279	1.9
237.11035	2.1
237.16548	3.9
239.14322	2.5
240.08659	2.4
241.10626	8.3
247.14743	2.9
247.17097	2.9
249.16365	3.8
253.15875	3.4
255.12337	6.2
257.15417	2.9
261.16510	2.6
263.14368	1.9
263.17828	2.1
265.15823	2.7
269.13828	5.4
271.16998	5.1
277.15997	1.7
279.19757	2.6
283.15439	6.4
289.19229	2.0
291.17398	2.8
293.17499	1.6
293.21078	2.1
295.16925	2.4
297.17337	3.5
305.18918	1.7
307.20279	2.4
310.18967	1.6
311.18631	4.7
323.20059	3.0
325.21808	9.2
333.22079	3.7
339.21698	8.8
347.29361	5.7
351.23059	3.1
353.23260	7.2
363.50412	1.9
366.25424	5.2
367.24808	4.3
373.21646	2.0
381.26312	5.7
387.23172	2.9
391.32022	5.4
395.28036	5.4
405.27908	6.1
409.29489	5.0
411.26846	1.8
419.29465	4.0
419.35199	7.6
429.27939	15.1
430.28537	2.4
447.28937	23.1
447.34549	3.6
448.29187	3.0
465.29858	40.6
465.35815	47.4
466.30136	5.1
466.36343	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.0
55.01866	3.9
55.05511	8.6
57.03431	3.4
57.06797	1.4
57.07077	23.7
60.10488	1.6
65.03928	4.4
65.19991	1.2
67.05518	8.1
69.07070	15.8
69.29336	2.6
69.29738	8.4
71.08629	18.7
79.05491	8.0
81.07066	11.1
83.04978	10.2
83.08619	9.1
85.10186	11.7
91.05476	2.1
93.03358	2.0
93.07037	11.1
95.04955	2.1
95.08615	13.3
97.06518	3.6
97.10169	5.7
99.04444	5.0
99.11724	2.2
101.75070	1.3
105.07019	5.8
107.04946	4.3
107.08601	8.2
109.06517	3.4
109.10139	5.9
111.04440	13.1
111.08086	2.6
111.11695	3.6
113.13276	1.8
117.06957	1.9
119.08588	5.2
121.06477	2.8
121.10130	6.2
123.08077	2.5
125.02325	11.7
125.05989	12.2
125.09608	1.7
127.03903	5.4
128.45317	1.4
129.06956	1.5
131.08563	3.5
133.10114	3.6
135.04428	3.6
135.08041	3.5
135.11679	4.0
137.06000	4.4
137.09596	2.4
137.13133	1.6
139.03885	3.5
139.07480	2.4
143.08553	2.5
145.10109	4.4
149.06056	2.1
149.09560	2.5
151.03926	3.4
151.07492	2.5
153.05466	75.1
154.05777	1.6
155.08517	2.6
157.10088	5.0
159.11687	2.7
160.22900	1.4
161.13295	1.5
163.07628	2.0
163.11174	2.2
165.09096	1.9
167.07079	7.1
169.10150	2.9
171.11699	3.1
173.13185	1.6
177.09132	4.1
181.05013	5.3
181.08673	6.6
181.10005	1.5
183.11636	4.1
187.05984	5.1
191.10605	2.7
193.10101	1.7
193.12213	2.1
195.06552	1.8
195.10197	7.1
195.11734	2.0
199.06012	100.0
200.06282	2.6
205.12045	2.5
207.11650	2.4
207.13725	2.6
209.09929	1.6
209.11731	6.0
213.07588	7.1
223.13347	3.9
225.12686	1.8
225.16466	1.6
227.09096	4.7
237.11185	2.4
237.14790	2.7
241.10617	6.9
251.12607	1.8
251.16393	2.0
255.12270	9.2
265.17856	3.7
269.13644	7.2
279.19516	3.5
283.15436	5.7
293.17694	1.4
293.21201	4.7
297.16943	4.8
311.18311	6.9
321.24240	1.8
325.20142	5.9
335.25739	2.7
339.21674	7.9
347.29568	7.4
347.33072	1.7
353.23273	4.3
367.24762	3.9
381.26468	4.5
391.32251	7.0
395.27829	5.8
409.29517	5.6
419.29984	1.6
419.35129	8.0
447.29190	2.7
447.34900	3.1
465.29633	11.9
465.35712	45.7
466.29837	2.1
466.35870	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.8
55.01867	7.3
55.05512	63.8
57.03437	3.2
57.07072	27.6
65.03942	5.6
67.05505	98.6
68.05842	3.8
69.03435	4.0
69.07066	100.0
71.04987	8.9
71.08626	19.6
79.05492	26.0
80.52528	3.6
81.07053	77.4
82.07387	4.0
83.04547	3.0
83.04965	19.3
83.08622	65.0
85.06539	9.1
85.10180	5.0
89.06030	6.4
91.05490	31.8
93.07037	48.0
95.04982	19.5
95.08604	79.3
97.02895	3.6
97.06554	6.7
97.10166	32.3
99.04465	4.9
105.03425	3.1
105.07037	32.2
107.08596	37.2
109.06510	29.4
109.10156	85.8
110.10519	3.3
111.04440	92.1
111.08094	11.5
111.11729	17.3
113.05986	3.7
117.07044	6.1
119.04910	4.8
119.08587	36.4
121.06517	12.5
121.10142	27.7
123.04412	25.9
123.08061	17.0
123.11717	17.4
125.06062	8.1
125.09674	3.9
125.13268	6.3
127.67924	3.1
129.07018	9.5
131.08565	21.1
133.08621	7.0
133.10136	23.6
135.04425	11.5
135.08028	14.6
135.11690	13.3
137.05966	40.7
137.09666	6.0
137.13271	6.1
138.06514	4.1
139.07506	9.1
141.05472	4.8
141.06969	4.9
141.09114	3.3
142.07813	5.6
143.08546	19.1
145.06541	3.3
145.10153	24.2
147.04388	3.6
147.08069	7.1
147.11710	12.5
149.06004	11.9
149.09637	7.0
149.13275	7.5
151.07571	13.2
153.05449	26.1
153.06645	3.2
153.07027	2.7
155.07050	17.1
155.08553	9.6
155.10678	4.3
157.10161	22.5
158.10716	3.2
159.08089	9.0
159.11688	21.6
161.09650	15.9
161.13261	9.0
163.07663	4.0
163.11191	8.3
163.14728	4.7
165.05492	79.6
165.09142	5.6
166.06122	9.1
167.07027	20.4
168.07298	4.7
168.09383	4.8
169.10091	24.4
170.10808	4.6
171.06555	6.4
171.11710	22.5
173.09602	10.6
173.11734	23.7
173.13295	13.5
175.11180	13.3
175.14764	5.5
177.09129	5.8
177.12732	7.0
179.07100	3.7
179.10678	6.8
181.10127	8.8
183.06534	61.7
183.11638	16.3
185.09631	8.5
185.13251	11.4
187.11203	7.7
187.14848	7.1
189.09178	4.9
189.12692	8.2
191.10719	5.0
191.14441	4.3
193.10172	5.1
193.12206	5.1
195.11734	13.2
196.12421	4.8
197.09546	5.6
197.13229	14.7
199.11168	5.7
199.14769	7.5
201.12746	8.7
201.16341	3.9
203.10713	5.2
205.10297	4.6
205.12228	7.8
207.10077	3.6
207.11742	7.5
209.09711	4.5
209.13240	19.8
211.11234	7.8
211.14809	13.5
213.12814	6.7
213.16293	6.4
215.10603	4.0
215.14391	7.6
219.13760	5.5
219.21060	4.2
221.13304	8.4
223.14796	13.0
224.15564	3.5
225.12631	3.4
225.16444	6.2
227.14297	5.9
231.13972	5.2
233.15291	4.2
235.13135	5.2
237.12775	4.4
237.16321	7.8
239.14450	5.1
243.13797	4.7
245.15375	6.3
253.15849	5.5
255.17636	3.8
261.16281	4.0
265.15970	4.6
269.15375	5.0
271.16919	5.5
283.17398	6.6
285.18430	8.6
297.18484	5.1
303.05045	9.3
305.18866	4.5
307.20624	7.0
309.21881	4.6
325.09076	3.7
325.21701	19.1
351.23401	4.0
356.25412	3.5
383.33066	18.2
391.23059	3.4
391.27896	6.8
396.83008	3.3
401.34094	37.6
402.34213	4.9
405.23993	5.7
411.32712	9.1
419.29242	4.5
419.34879	3.2
429.27673	10.9
429.33502	36.5
447.28876	22.2
447.34613	81.4
448.29276	4.2
448.34616	6.5
465.29886	74.3
465.35693	46.0
466.30264	9.4
466.36383	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.8
55.01869	5.0
55.05511	25.9
57.07075	13.3
65.03922	2.6
67.05505	30.9
68.53511	2.0
69.06727	3.3
69.07070	37.7
69.08853	18.2
71.08625	5.0
79.05466	12.2
81.07061	30.4
83.04978	8.3
83.08617	21.5
85.06527	2.2
91.05481	21.4
91.49612	1.9
93.07043	21.5
95.04996	9.6
95.08607	38.4
96.08943	2.1
97.06507	2.9
97.10165	13.1
105.04517	2.3
105.07036	17.4
107.08600	16.3
109.06519	19.5
109.10143	25.9
111.04442	48.5
111.08073	5.7
111.11689	5.4
113.24773	2.5
117.06996	5.5
119.04927	7.1
119.08598	16.3
121.06516	9.0
121.10139	8.0
123.04404	9.8
123.08060	7.3
123.11704	5.7
125.05975	4.1
125.13306	2.5
129.07039	3.4
131.08586	8.6
133.06517	2.9
133.10124	9.9
135.04465	2.4
135.08061	6.7
135.11690	8.2
137.05981	33.9
137.13269	3.8
139.07524	5.7
141.05472	5.7
141.06958	2.9
143.08566	8.5
145.10095	12.2
146.10419	2.6
147.04391	10.6
147.11703	6.8
149.05936	3.0
149.09554	2.6
151.07552	4.2
153.05464	12.3
155.07074	4.4
155.08557	6.2
156.09369	4.8
157.09032	2.3
157.10153	12.8
159.08023	3.2
159.11690	9.3
161.09654	5.0
161.13287	4.1
163.11159	3.5
165.05484	100.0
166.05830	4.7
167.07050	5.3
167.08479	2.5
169.10143	8.5
171.06506	2.6
171.11707	9.5
171.13783	5.0
172.14111	3.2
173.09723	4.1
173.11784	4.7
173.13287	8.4
175.11143	4.5
175.14793	2.7
177.09059	2.1
177.12840	3.0
179.07072	2.5
179.08545	2.9
181.10126	4.8
183.06540	37.2
183.11720	9.0
185.09601	2.2
185.13263	7.5
186.13841	2.2
187.11162	7.1
187.14792	3.9
189.12801	3.7
191.14264	2.1
195.11681	6.1
197.13228	6.5
199.14720	4.7
201.12698	2.8
205.12231	3.7
207.11781	3.1
209.13219	5.8
211.14859	4.5
213.12822	2.6
213.16464	2.6
215.14265	2.4
221.13422	3.8
223.14864	5.9
225.16331	3.8
227.14417	2.7
235.14922	4.0
237.16486	3.3
251.14326	2.2
253.19531	2.4
255.09915	2.5
265.19550	2.7
271.17029	3.6
282.20135	2.0
285.18237	2.8
297.18716	3.5
321.00174	2.1
323.20050	3.3
325.21692	5.6
333.22229	2.3
363.22787	2.2
383.33136	8.0
401.34085	12.3
411.32654	5.0
415.25980	10.2
419.29718	3.7
429.28122	3.9
429.33554	49.8
430.33783	7.2
447.28738	6.9
447.34595	13.0
465.29645	23.7
465.35385	5.0
466.29941	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.0
53.69168	4.2
54.77316	4.2
55.01880	9.1
55.05510	48.1
57.07076	31.1
57.87740	4.8
67.05502	55.4
69.03423	6.2
69.07064	54.7
71.05005	7.6
71.08639	16.1
79.05481	22.0
81.07054	53.4
83.04980	62.5
83.08638	31.8
84.02417	4.3
84.94141	4.0
85.06563	7.7
85.10201	8.1
89.06034	18.1
91.05470	31.4
91.71392	3.6
93.07045	52.0
95.04976	17.3
95.08611	90.3
97.06516	9.7
97.10159	12.2
105.07021	50.9
107.08601	42.9
109.06511	11.0
109.10155	51.5
111.04438	100.0
111.08099	14.1
111.11717	6.7
113.06001	7.4
117.07017	17.8
119.08572	65.1
121.06510	22.1
121.10150	29.2
123.04453	17.7
123.08064	18.4
123.11729	15.4
128.06230	9.5
129.07031	14.2
130.07802	7.2
131.08569	25.9
133.08615	10.5
133.10147	29.3
135.04445	6.9
135.08075	15.9
135.11697	15.4
137.05989	25.4
137.09642	9.7
139.07539	14.8
141.06970	7.9
142.07796	13.8
143.08563	36.1
145.06488	4.7
145.10136	48.5
147.08067	11.0
147.11687	22.4
149.05991	5.0
149.09627	12.7
149.13193	5.6
153.05499	18.8
154.07706	8.6
155.07379	4.3
155.08565	20.1
156.09396	14.0
157.10152	49.0
159.08078	10.3
159.11678	34.3
161.09625	17.4
161.13319	10.4
163.07538	6.9
163.11224	10.6
165.05524	55.7
165.06926	6.2
167.07051	5.6
167.08548	10.6
168.09344	7.4
169.10167	29.2
170.10854	7.0
171.11635	33.2
173.09613	12.1
173.13214	22.8
175.11200	9.4
175.14749	7.8
177.09023	6.0
179.08487	6.6
181.10126	19.5
183.06526	60.8
183.11693	48.1
185.09625	10.1
185.13295	20.6
187.11256	10.3
187.14850	12.0
189.12752	12.0
193.10185	12.3
193.12256	5.0
194.10912	7.1
195.11676	24.2
196.12343	10.3
197.13261	21.6
199.11179	5.0
199.14844	15.0
201.12755	9.7
205.10228	5.0
205.12175	6.9
207.11717	15.7
207.13678	6.1
208.12379	8.2
209.13219	27.3
211.11284	6.5
211.14870	21.2
213.12744	14.6
215.14401	7.2
219.11691	6.2
219.13799	7.3
221.13272	16.8
223.11229	5.1
223.14804	21.9
224.15678	5.1
225.12679	4.9
225.16454	12.9
227.14227	4.5
229.23192	6.0
231.13803	8.4
233.13274	5.7
235.14832	17.5
237.12938	5.4
237.16414	14.4
239.14323	6.5
239.18013	6.6
241.15915	8.2
245.15395	8.1
247.14861	10.5
249.16434	13.0
251.14404	8.1
251.18004	6.7
253.15909	8.0
255.17430	5.9
261.16144	6.2
263.18033	9.3
265.15674	8.2
265.19568	5.7
267.17435	7.2
269.15530	9.2
271.17004	8.2
273.18561	9.1
277.15915	5.5
279.17471	15.6
279.20773	5.1
282.16159	5.2
283.16989	7.9
289.19595	10.3
293.19098	6.1
297.18558	12.0
305.18997	7.9
307.20584	23.1
317.22546	6.2
323.19806	5.7
324.21350	4.6
325.21652	22.7
326.21991	7.2
333.22104	5.6
351.23239	6.9
366.25391	9.3
383.33005	8.4
401.28802	7.9
401.34103	29.0
403.26288	6.5
411.32846	5.7
419.29425	15.6
421.27255	6.5
429.27853	25.9
429.33786	25.6
447.28870	75.0
447.34659	33.7
448.29410	10.6
465.29935	62.1
465.35657	8.3
466.30426	8.3
468.35413	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.9
55.01911	2.0
55.05510	30.5
56.35514	1.8
57.07080	16.9
59.17589	1.6
66.68404	1.9
67.05500	23.1
69.03439	1.7
69.07067	45.2
71.04987	2.4
71.08625	10.6
71.31100	2.5
79.05490	10.4
81.07056	35.3
83.04977	11.3
83.08621	29.7
85.02889	2.7
85.06546	2.4
85.10175	4.4
89.06042	5.5
91.05486	12.3
93.07047	19.6
95.04961	7.8
95.08604	35.7
97.06525	2.1
97.10172	15.3
99.04424	2.3
105.07034	22.1
107.08594	20.9
109.06514	7.8
109.10157	24.3
111.04415	3.9
111.08069	4.0
111.11694	7.5
115.05490	3.5
117.07025	7.3
119.08582	16.6
121.06520	4.7
121.10155	12.6
123.04433	1.7
123.08063	8.4
123.11689	8.2
125.09589	3.0
125.13272	2.1
128.06236	2.9
128.86519	1.7
129.06998	6.1
131.08553	14.1
133.06480	2.3
133.08618	2.5
133.10138	10.7
135.08022	5.0
135.11684	6.6
137.06000	14.0
137.09599	2.3
137.13266	3.1
138.06720	5.0
139.07588	15.3
141.05440	9.1
141.07014	4.3
142.07753	5.4
143.08578	14.6
144.09322	2.5
145.10141	18.2
147.08023	4.1
147.11665	6.4
149.05945	3.7
149.13220	3.8
151.07536	18.9
151.14854	2.3
155.08539	8.8
156.09314	3.0
157.10135	14.6
159.08066	4.0
159.11685	10.6
161.09612	7.4
161.13182	3.3
163.07556	2.1
163.11186	2.6
163.14801	3.5
165.05551	11.6
165.06772	2.7
165.09123	6.2
166.06287	9.3
166.07494	1.7
167.07039	100.0
167.08452	4.0
168.07451	3.7
169.10172	11.3
170.10872	2.1
171.11708	11.0
172.12202	1.9
173.09627	3.3
173.13268	6.7
175.11174	6.6
177.05511	1.7
177.09090	7.2
179.06993	3.6
179.08551	3.2
179.10666	4.8
181.08630	3.9
181.10136	5.2
182.10886	2.6
183.11687	12.9
185.09625	4.3
185.13228	5.0
187.11166	5.1
187.14697	2.5
189.09158	5.5
189.12746	2.4
189.16418	1.7
191.06985	3.6
191.10663	3.8
193.08591	7.4
193.10199	4.1
194.10992	2.1
195.08360	1.9
195.11658	9.4
197.09564	3.1
197.13295	10.9
199.11227	3.6
199.14850	4.0
201.12685	4.1
203.10670	6.6
205.08606	6.0
205.12183	4.3
206.10922	1.9
207.10135	10.9
207.11769	5.1
209.13275	12.3
210.13734	2.8
211.11186	3.2
211.14763	4.4
213.12646	2.9
215.10664	7.1
215.14363	4.4
217.12311	3.4
219.10127	2.4
219.13791	2.1
221.11662	5.6
221.13443	3.9
223.11253	3.7
223.14835	8.2
225.12692	3.2
227.10576	2.3
229.12238	4.2
231.13832	3.3
233.11534	3.4
237.16422	5.7
239.14343	2.9
241.12314	2.5
243.13824	2.7
245.15565	4.0
264.75458	1.8
265.15924	1.7
265.19608	3.8
267.17197	2.2
269.15341	5.1
271.00989	1.8
271.16998	4.5
279.17511	3.7
279.20944	2.1
283.16934	2.7
285.18549	4.7
289.19485	3.1
297.18359	4.3
303.05093	3.1
305.18784	3.4
307.20496	4.0
311.20032	2.1
323.20041	3.7
325.21704	12.0
345.27292	1.7
347.25690	6.1
366.25510	2.9
401.34155	3.2
411.32397	2.1
416.25943	2.7
419.29437	4.7
429.27908	4.7
429.33392	29.3
447.28705	10.3
447.34531	15.3
465.29840	51.9
465.35321	5.6
466.30136	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48845	0.4
55.05503	2.0
57.07059	1.2
59.04989	0.6
62.12704	0.4
67.05497	1.7
69.07052	1.2
70.89042	1.0
79.05490	0.6
81.07068	3.8
83.04986	0.6
83.08621	0.8
89.06039	1.2
91.05481	1.3
93.07037	1.2
95.08620	4.2
97.10190	0.6
105.07049	1.4
106.85925	0.5
107.08602	1.4
109.10152	1.5
119.08579	1.5
121.10115	0.7
131.08614	0.7
133.08647	0.7
133.10071	0.5
137.13286	3.6
143.08531	0.8
145.10185	1.0
147.11757	0.5
147.21609	0.5
155.14314	1.5
157.10158	1.4
159.11720	0.6
169.10117	1.2
171.11714	1.1
173.13243	0.6
175.10930	5.9
180.78050	0.5
183.11771	1.0
185.13269	0.6
195.11781	0.8
195.36398	0.4
207.11652	0.7
209.13266	1.4
213.12636	0.5
221.13371	0.5
223.14868	0.5
225.12720	0.6
225.16267	0.5
265.15802	0.5
269.15210	0.6
285.18689	0.5
307.20245	0.5
313.24915	2.8
325.21564	1.8
429.27579	0.8
447.29013	1.4
465.30145	7.9
465.37006	100.0
466.30731	1.1
466.37323	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.7
56.96574	3.5
57.03437	33.3
58.85391	2.5
61.02923	12.0
69.03430	42.3
69.05359	20.2
71.01355	3.4
73.02916	65.0
76.64051	2.5
81.03417	8.7
85.02903	51.5
87.04490	4.0
89.87784	2.5
97.02893	55.8
109.02903	4.3
111.04436	3.6
115.03927	42.9
123.04442	7.2
127.03914	36.8
128.04254	5.3
133.04958	18.8
135.04404	2.8
137.02333	71.8
137.05960	4.6
138.12990	3.0
139.03934	5.4
145.04976	11.1
147.04370	6.0
149.06052	3.6
150.07617	5.9
155.03386	100.0
156.03758	4.0
160.07564	5.1
161.07874	4.3
163.03954	3.0
163.06033	3.5
164.49261	2.5
177.05493	9.1
180.08727	3.0
219.17426	2.6
223.06181	2.8
259.08319	3.0
286.13043	2.6
297.09216	3.3
304.05069	3.2
449.14145	3.9
467.18927	5.3
468.57227	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42142	2.6
55.01874	3.8
57.03436	18.2
59.04993	3.5
69.03079	5.0
69.03430	61.4
70.47725	3.9
70.48061	6.8
73.02956	3.2
85.02905	48.6
87.04466	47.1
95.04980	11.1
97.02895	52.3
103.03976	3.0
115.03931	68.3
123.04415	41.3
124.05172	2.8
127.03885	7.0
133.04974	66.0
137.06012	2.9
139.03926	10.1
140.04582	5.9
144.08122	5.6
145.04962	4.8
146.06036	5.0
147.04437	3.7
150.07625	11.3
151.03902	4.5
151.07558	18.4
153.05482	6.9
155.07033	100.0
156.07411	3.1
163.04004	4.8
164.04652	19.6
165.05376	4.1
167.07007	3.4
179.07034	78.8
182.05727	4.4
191.07072	13.6
197.08125	14.7
205.08647	4.8
221.08144	11.1
233.08061	15.9
251.09158	28.4
263.09143	3.1
268.09622	5.6
269.10074	6.6
272.06415	8.4
280.09424	3.4
281.10175	5.4
296.09131	8.1
297.09488	29.4
311.10977	6.0
314.12100	5.2
327.13309	3.7
371.24225	2.7
421.14609	5.7
449.14194	38.4
467.18976	59.6
488.28836	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90283	5.4
69.80682	9.6
69.81094	17.9
80.03206	5.7
85.02905	8.5
91.05535	5.6
98.22739	7.2
101.24257	4.9
105.07045	9.4
107.04940	31.1
123.04440	21.1
135.08080	17.7
139.03903	22.0
140.04237	9.2
143.81519	5.9
146.06007	16.5
151.03897	6.6
159.06723	6.2
160.07541	9.0
161.07967	6.5
163.06209	7.2
163.07536	42.3
164.41736	6.0
167.07021	89.1
174.05467	9.3
195.10188	20.0
211.09583	8.9
213.11237	71.3
281.10129	8.1
287.14865	37.4
298.10477	7.0
299.11176	12.0
303.12018	18.4
304.12228	38.0
311.11133	6.7
328.13660	12.4
449.14032	23.7
466.11334	8.8
466.17685	100.0
466.24823	8.9
466.26065	6.8
467.18213	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.01865	2.5
55.05516	0.8
57.03429	3.9
57.07082	1.6
61.02933	3.8
67.05505	3.2
69.03428	7.5
69.07058	2.6
70.05332	2.5
71.01362	1.1
73.02919	11.6
79.05489	7.5
80.35896	0.6
81.03407	1.3
81.07054	100.0
82.07400	2.2
85.02902	17.5
87.04469	1.2
91.03983	1.2
93.07052	1.9
95.05070	0.6
95.08606	16.8
96.08943	0.7
97.02888	13.0
99.04465	0.7
108.61572	0.6
109.02871	1.2
109.10175	1.4
110.76649	0.6
115.03923	6.8
127.03888	6.7
133.04971	10.1
137.13252	23.0
138.13599	1.0
139.03796	0.6
145.04944	8.9
154.15939	0.7
155.14325	1.8
163.06030	5.5
216.61159	0.6
217.07153	0.7
223.05994	1.4
237.13344	0.6
241.07103	2.5
242.21133	0.6
259.08047	3.5
295.10178	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92742	0.8
53.03930	1.3
55.01865	2.5
55.05505	1.2
57.03442	6.4
57.07075	1.9
61.02923	1.8
67.05495	3.9
69.03084	1.2
69.03432	14.1
69.05643	8.1
69.05974	1.0
69.07060	2.7
70.36139	0.8
71.01340	1.2
73.02920	6.2
75.49920	0.8
79.05511	10.0
81.03424	1.2
81.07057	100.0
82.07390	2.7
84.55707	0.9
85.02899	20.1
87.04486	4.3
91.03972	1.0
91.05477	1.7
93.07047	1.9
95.08601	17.2
97.02888	15.1
103.03940	0.9
103.53904	0.8
105.07042	1.8
109.02905	2.1
109.06518	1.3
109.10165	1.4
115.03923	10.1
121.06473	1.4
127.03896	4.8
133.04971	16.8
137.05991	3.3
137.13254	26.1
137.14339	1.4
141.06938	1.0
143.08553	1.0
145.04973	5.9
147.08075	1.3
150.07626	2.9
151.53979	0.9
153.05486	0.9
155.08575	1.0
155.14317	1.8
159.08060	2.8
163.05975	4.4
169.10123	0.8
187.11192	4.8
193.52518	0.9
223.05878	1.0
233.11617	1.3
241.07024	1.4
259.08304	1.0
293.42249	0.9
421.20224	3.3
439.21207	1.1
449.19574	1.9
467.20700	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64482	0.6
53.03942	1.0
55.01868	1.8
55.05511	0.8
55.85902	0.6
57.03438	4.3
57.07077	0.8
61.02923	2.0
67.05508	1.8
67.33329	0.6
69.03436	9.4
69.07085	0.7
70.43253	1.4
71.01356	0.9
73.02917	11.9
75.20322	0.5
79.05498	5.8
81.03419	1.6
81.07057	100.0
82.07394	1.7
85.02906	21.7
87.04465	1.3
91.05437	0.8
92.86658	0.6
93.07087	0.8
95.08607	8.4
97.02894	14.2
97.03513	0.9
98.22713	0.5
99.04464	1.0
103.03975	0.9
109.02866	2.5
109.10148	1.3
110.51951	0.6
115.03931	7.2
127.03913	6.2
133.04971	10.3
137.13255	41.1
138.13618	1.2
145.04967	10.6
150.07599	0.7
150.36165	0.6
163.06003	7.4
183.36658	0.7
223.06104	1.4
241.06990	2.6
259.08105	4.7
277.09201	0.7
295.10312	2.5
305.13486	0.6
317.19748	0.7
381.30460	0.6
467.19348	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01875	2.6
55.05514	0.4
57.03436	4.9
57.07080	0.5
57.66267	0.3
59.05010	0.4
61.02933	3.4
65.03925	0.4
67.05511	2.4
69.03430	9.0
69.07062	1.0
69.11340	0.8
69.11742	2.3
71.01367	0.8
71.04988	0.6
73.02920	13.6
79.05497	6.3
81.03413	1.9
81.07058	100.0
82.07389	2.3
83.04977	0.5
85.02906	22.8
85.94153	0.3
86.03209	0.4
86.57808	0.3
87.04472	1.4
91.03970	0.9
93.07056	0.8
93.79857	0.3
95.08047	0.6
95.08613	8.5
97.02892	14.8
99.04476	1.3
103.03944	0.6
107.08627	0.4
109.02899	2.3
109.10138	2.9
115.03931	7.1
120.17320	0.3
127.03913	7.7
132.06621	0.4
133.04964	11.8
134.05295	0.5
137.09644	1.2
137.13257	29.3
138.13612	1.0
145.04965	10.4
150.07654	0.9
154.15961	0.5
155.10629	1.6
162.07664	0.5
163.06026	8.3
180.08636	0.6
193.05022	0.9
199.06078	0.5
217.07097	0.8
223.06085	1.9
241.07094	2.7
259.08163	5.9
263.16483	0.4
276.54745	0.4
277.09204	1.2
281.17728	0.4
295.10309	3.4
299.18600	0.6
317.19489	2.8
393.41882	0.4
460.30475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.8
57.07073	9.5
64.88718	3.8
67.05515	30.4
69.07072	13.3
69.09741	31.1
71.08608	6.8
79.05490	7.9
81.07054	16.1
83.04983	3.7
83.08619	8.7
85.10160	3.6
89.06033	3.8
91.05486	10.8
93.07059	14.1
93.89511	3.6
95.08611	24.1
97.10159	5.2
105.07026	9.0
107.08592	11.7
109.10154	35.4
110.10484	4.1
117.65826	4.5
119.08597	12.8
121.10156	9.7
123.08038	7.6
123.11710	6.8
131.08623	5.4
133.10146	14.2
135.11694	3.9
137.06009	3.6
140.29492	3.8
141.07074	4.0
143.08656	6.2
145.10132	12.3
146.10422	5.0
147.11661	6.1
155.08572	7.6
157.10124	7.8
157.22394	4.6
159.11711	10.3
160.08189	4.5
160.12085	3.7
169.10127	11.0
170.10519	6.0
171.11658	9.8
172.12007	4.2
173.11739	6.7
175.11201	6.0
183.11696	5.8
185.13388	6.1
187.11180	5.7
189.12740	4.5
197.13150	4.0
199.11209	4.7
209.13069	4.2
211.14871	9.9
211.82910	4.0
222.14023	4.0
223.14809	6.7
239.55215	3.6
245.13161	5.9
343.12784	4.0
400.02762	3.9
415.26257	100.0
417.27750	5.5
430.33960	6.1
448.28983	4.7
466.30273	17.5
466.35928	6.6
467.31366	8.2
467.37192	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.8
57.07079	6.7
58.06579	1.8
65.03935	2.6
68.05005	0.6
69.36523	1.7
69.36926	1.0
70.06593	18.6
70.67425	0.5
71.08640	3.2
72.08144	0.6
81.07022	0.9
85.10179	1.1
88.07634	19.9
93.07017	0.6
95.08564	1.4
102.09180	15.7
103.01810	0.7
111.06366	0.5
121.02869	1.0
131.08540	0.5
133.10123	0.8
139.03845	1.1
145.10033	0.6
149.02351	59.7
149.03436	3.9
150.02647	1.2
168.31348	0.5
187.14685	0.5
193.04967	61.0
194.05312	1.3
212.23802	0.7
237.07578	70.3
238.07928	2.0
256.26358	51.7
257.26645	2.4
300.28906	1.3
316.53912	0.5
366.38544	0.5
407.54953	0.5
449.30673	0.6
466.31650	100.0
467.31906	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1701
Annotation	Interiotherin D
Peak:m/z	Relative Intensity
51.02393	0.4
51.15693	0.4
53.03959	2.6
53.29538	0.4
55.05513	68.4
56.05846	1.4
61.78253	0.4
67.05507	1.2
69.03677	3.4
69.07069	1.4
72.71167	0.4
79.05492	0.7
81.07051	1.3
83.04984	100.0
84.05324	1.8
91.05500	0.9
93.07050	1.7
95.08604	3.5
99.04401	0.5
105.07027	2.1
107.08600	2.2
109.10156	1.5
111.04445	0.4
111.08080	0.5
114.31737	0.4
116.68587	0.4
119.08572	2.8
119.78182	0.4
121.10150	1.4
123.08076	1.0
127.91173	0.4
128.06248	0.5
131.08533	1.2
133.10098	1.3
135.11734	0.8
141.07069	0.6
142.07761	0.5
143.08522	1.1
145.10129	1.7
147.11690	0.9
155.08516	0.5
157.10129	2.0
159.11670	1.4
161.09589	0.5
161.13237	1.1
165.07091	0.4
169.10106	1.3
170.10822	0.4
171.11705	2.2
173.13249	0.9
179.10631	0.6
183.11670	1.2
185.13243	1.4
187.11119	0.5
195.11638	0.4
197.09734	0.5
197.13219	1.1
199.11183	0.4
199.14790	0.9
207.11646	0.6
209.13193	0.6
211.14816	1.3
213.12743	0.7
213.16397	0.7
221.13284	0.5
223.14621	0.6
225.16411	0.8
227.18173	0.5
235.14716	0.5
237.16472	0.5
238.06091	0.5
245.15402	0.5
249.08926	0.5
251.06984	0.7
253.16023	0.6
259.16858	0.6
263.06927	1.1
264.07718	1.3
265.15839	0.6
266.05496	0.4
267.17529	0.5
269.07901	0.6
271.17041	0.8
276.07767	0.9
277.08548	0.8
278.09256	0.6
279.06503	0.9
279.10107	0.5
280.07272	0.6
281.08072	1.0
282.08670	0.5
283.05975	0.6
291.06500	2.4
292.07172	1.8
293.08069	0.6
294.05118	2.0
294.08728	1.2
295.06180	0.7
295.09586	0.6
297.07367	0.5
305.08023	0.9
306.08813	0.8
307.06189	0.7
307.09515	3.0
309.07568	2.2
309.10776	0.7
309.21939	1.1
310.08179	0.9
311.09052	1.8
313.03549	0.6
313.07047	2.0
315.08643	0.7
317.11536	0.4
321.07410	0.9
322.08264	0.7
323.08823	1.1
325.10513	0.9
327.08340	0.5
327.23172	1.2
328.09387	3.5
331.09714	0.6
335.09174	4.9
335.23407	0.4
336.09598	1.5
337.06900	5.5
337.10623	1.5
338.07492	0.7
339.12170	1.0
341.10074	1.0
343.11618	1.7
346.08087	0.9
352.09393	7.4
353.09973	2.6
355.11707	0.5
367.11755	15.8
368.11975	1.5
368.27002	0.5
374.11368	1.0
379.11673	4.7
380.11810	0.5
385.12659	2.8
393.13071	0.6
402.10849	1.3
407.14575	0.9
407.25656	0.5
409.12610	0.6
410.13583	2.5
411.14230	0.6
417.13058	1.6
425.15591	1.9
431.29108	1.7
435.14218	2.5
449.15790	0.6
449.30597	2.2
466.30627	0.6
467.16986	2.0
467.31433	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
54.78985	0.4
55.01884	0.4
55.05513	91.5
56.05848	2.4
58.80944	0.3
59.05005	0.8
62.17620	0.3
65.03953	0.4
67.05505	2.2
69.07072	1.0
69.89165	0.3
71.04987	0.4
75.04483	3.5
79.05479	1.9
81.07063	3.0
83.04983	100.0
84.05314	3.3
91.05472	1.6
93.07040	2.3
94.93975	0.3
95.04970	0.8
95.08610	6.5
96.08931	0.4
97.06520	0.6
105.06406	0.4
105.07028	2.8
105.14214	0.3
105.33290	0.4
107.08595	2.0
109.04479	0.4
109.06497	2.9
109.10159	1.4
111.04433	0.8
111.08076	0.9
117.07024	0.8
119.08578	3.3
121.06487	0.4
121.10132	1.7
123.08092	0.8
123.11697	0.6
128.06218	0.5
129.06956	0.6
131.08549	2.3
133.10136	2.5
135.08034	0.8
135.11679	1.0
137.05972	3.9
139.05513	0.3
139.07527	0.7
143.08536	1.3
145.10118	2.6
147.07988	0.7
147.11649	1.0
151.07513	0.5
152.06160	1.3
153.06950	0.6
155.07013	1.1
155.08521	1.0
156.09427	0.4
157.10078	2.0
159.08098	0.9
159.11703	2.7
161.09541	1.0
161.13261	0.7
165.06995	2.7
166.07745	0.7
167.08546	1.5
168.05725	0.7
169.10098	0.7
171.11732	2.5
173.09637	0.7
173.13229	1.2
175.11145	0.7
175.14815	0.8
176.06204	0.7
177.06978	0.8
177.09259	0.4
178.07771	4.5
179.08545	4.6
180.09280	0.5
181.06447	1.1
181.10104	0.5
182.07260	0.8
183.08057	0.5
183.11658	1.2
185.05954	0.3
185.09613	0.6
185.13187	1.0
187.11136	0.7
187.14787	1.2
189.06995	5.7
190.07780	2.5
191.08565	3.3
191.10338	0.5
192.05690	0.7
192.09250	0.7
193.06424	1.4
193.08466	0.5
193.10141	1.4
194.07236	1.2
194.10881	0.4
195.08090	4.0
195.11736	0.6
196.08748	0.6
197.05946	0.4
197.09583	0.4
197.13266	1.7
199.14888	0.4
201.16360	0.9
202.07712	0.9
205.06505	3.0
206.07297	4.2
207.08043	5.8
207.11624	0.4
208.05080	0.8
208.08739	1.3
209.05980	1.6
209.09625	1.9
209.13135	0.8
210.06686	1.0
210.10396	0.6
211.07477	1.0
211.14752	0.8
213.05367	0.6
213.12460	0.4
213.16312	0.7
215.14259	0.9
217.06453	2.4
218.07266	2.0
219.08092	4.0
220.05096	1.0
220.08768	0.7
221.05981	2.5
221.09540	2.2
222.06657	1.6
222.10344	2.1
223.07547	3.8
223.11090	0.5
224.08171	1.0
225.05450	0.8
225.09024	1.4
225.12616	0.5
226.06128	0.6
227.06953	0.7
229.04849	0.6
229.15657	0.5
231.08075	0.6
231.13734	0.4
233.06061	1.8
233.09604	0.6
233.15364	1.0
234.06705	5.5
235.03963	0.5
235.07520	10.2
235.11049	0.5
236.04565	1.4
236.08238	2.1
237.05434	1.3
237.09109	2.9
237.12738	0.5
238.06096	1.3
238.09804	1.4
239.07077	1.7
239.10651	1.8
240.07684	0.5
245.05992	2.4
246.06683	1.6
247.07498	3.9
247.16866	1.3
248.08461	1.8
249.05391	5.7
249.09023	7.2
249.16165	0.4
250.06207	2.7
250.09854	4.2
251.07047	7.8
251.10478	1.0
252.04152	3.9
252.07663	1.6
253.04854	1.1
253.08449	1.1
253.12120	1.5
254.05722	0.5
255.06493	1.2
257.04245	0.6
261.05524	2.5
262.06262	4.7
263.07025	12.1
264.04004	0.6
264.07782	6.0
265.04880	2.6
265.08469	7.7
266.05899	2.3
266.09216	2.6
267.02979	0.5
267.06415	2.5
267.09988	1.5
268.07156	0.7
273.05362	1.2
274.06113	0.5
275.07053	7.3
276.07828	8.4
277.04877	3.4
277.08472	15.8
278.05643	4.0
278.09161	4.8
279.06400	10.5
279.09943	2.2
280.03564	3.3
280.07114	3.1
280.10214	0.7
281.04285	1.1
281.07980	2.8
281.11591	7.3
282.05109	0.5
282.08807	0.8
282.11652	0.4
283.05692	0.4
283.09641	0.7
285.07544	0.5
289.04855	0.7
290.05502	0.8
291.06592	4.5
292.07294	12.2
293.08066	31.9
294.05084	2.1
294.08609	5.1
295.05844	3.2
295.09390	2.5
295.24112	0.6
296.06570	1.0
296.09866	0.6
297.03998	0.4
297.07407	1.0
303.06519	8.7
304.07062	1.5
305.04333	1.6
305.07941	4.2
306.08765	2.0
307.05981	4.1
307.09598	36.6
308.10385	40.5
309.07425	5.8
309.11002	17.1
310.08344	16.0
310.11563	1.0
311.09000	3.6
311.23633	0.6
313.10437	0.7
313.25290	0.8
317.07828	0.5
318.08798	0.5
319.05804	1.4
319.09442	0.9
320.06766	5.2
321.07498	5.5
322.08218	2.6
323.05707	0.3
323.09094	6.0
324.09854	2.5
325.10712	3.1
327.08542	0.4
327.22916	0.4
334.08121	0.9
335.09122	23.8
336.06259	0.5
336.09775	5.8
337.06760	3.3
337.10501	7.0
338.11124	1.3
339.12268	11.8
340.12494	0.8
347.12726	0.5
349.10486	1.4
351.08264	1.0
352.09381	4.9
353.10196	3.4
354.10062	0.6
355.07547	0.6
355.11456	1.2
365.09860	0.5
366.10150	0.7
367.11746	25.5
368.12115	1.7
383.10760	0.6
384.11633	0.8
385.12302	2.0
407.14984	1.7
408.15207	0.5
431.25061	2.2
435.13968	1.0
437.15479	0.8
439.16949	0.6
449.25308	0.5
449.30060	1.7
467.11050	0.5
467.16959	9.2
467.31952	1.9
468.16711	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91311	0.4
57.03431	0.4
69.03441	0.8
73.19083	0.4
78.04715	0.7
79.05489	0.7
81.03400	0.8
81.07056	0.8
89.03915	1.4
90.04244	0.8
91.05448	0.6
98.22570	1.0
105.07027	0.8
106.04178	0.8
107.04952	1.1
107.08663	0.4
109.02882	0.4
117.03380	3.5
118.03729	1.4
119.03940	0.7
123.04469	2.7
124.05253	1.0
127.03921	5.5
128.04268	2.0
129.04372	1.4
133.06512	0.6
137.05983	1.3
145.02853	8.3
146.03178	5.0
147.03378	1.9
149.06024	2.1
150.06390	0.5
151.03874	0.8
161.05971	0.8
167.07042	42.9
168.07375	1.3
177.05473	15.6
177.07022	0.9
178.05794	8.8
179.05984	6.0
181.08665	0.7
193.08598	1.9
209.08182	0.6
211.09698	1.8
267.12396	0.8
283.02347	2.2
303.05066	0.7
304.05347	0.6
305.05493	1.7
305.13550	3.7
315.04871	0.7
321.09616	0.6
323.10400	1.1
335.14523	2.8
341.11322	0.7
467.18878	100.0
468.19199	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1902
Annotation	3',5-Dihydroxy-3,4,4'-trimethoxybibenzyl-5-O-glucoside
Peak:m/z	Relative Intensity
52.91311	0.4
57.03431	0.4
69.03441	0.8
73.19083	0.4
78.04715	0.7
79.05489	0.7
81.03400	0.8
81.07056	0.8
89.03915	1.4
90.04244	0.8
91.05448	0.6
98.22570	1.0
105.07027	0.8
106.04178	0.8
107.04952	1.1
107.08663	0.4
109.02882	0.4
117.03380	3.5
118.03729	1.4
119.03940	0.7
123.04469	2.7
124.05253	1.0
127.03921	5.5
128.04268	2.0
129.04372	1.4
133.06512	0.6
137.05983	1.3
145.02853	8.3
146.03178	5.0
147.03378	1.9
149.06024	2.1
150.06390	0.5
151.03874	0.8
161.05971	0.8
167.07042	42.9
168.07375	1.3
177.05473	15.6
177.07022	0.9
178.05794	8.8
179.05984	6.0
181.08665	0.7
193.08598	1.9
209.08182	0.6
211.09698	1.8
267.12396	0.8
283.02347	2.2
303.05066	0.7
304.05347	0.6
305.05493	1.7
305.13550	3.7
315.04871	0.7
321.09616	0.6
323.10400	1.1
335.14523	2.8
341.11322	0.7
467.18878	100.0
468.19199	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.7
55.01866	0.9
55.05505	1.0
63.05027	0.4
65.03943	1.1
67.05499	3.9
69.03424	9.4
69.07082	0.6
70.91541	0.4
71.31114	0.5
79.05493	13.8
81.03408	0.6
81.07058	80.7
81.34807	0.3
82.07390	1.8
83.04988	0.8
83.08680	0.4
91.04905	0.4
91.05482	8.6
93.07027	3.0
95.04973	4.7
95.08613	2.4
97.02876	0.6
97.06525	0.4
99.04490	0.4
103.05479	0.7
105.07033	4.4
107.04960	0.9
107.08592	3.2
109.06519	25.2
109.10170	0.5
111.04444	1.2
115.05482	2.0
116.06258	0.7
117.07023	3.6
119.04929	1.4
119.08588	3.6
120.08099	4.0
121.06490	3.6
121.10168	1.2
123.04449	1.3
123.08051	1.1
128.06183	1.8
129.07021	3.8
130.07768	0.7
131.04915	0.7
131.08565	4.2
132.05717	0.9
133.06503	4.5
133.10149	1.3
135.08064	3.6
137.05975	100.0
138.06303	3.0
139.07599	0.5
141.06970	1.8
142.07779	1.7
143.08569	3.0
144.05739	0.5
145.05365	0.5
145.06490	7.0
145.10098	2.1
146.07297	2.0
147.08047	3.8
147.11674	0.7
149.05995	1.4
149.09584	1.0
151.04004	0.5
151.07521	1.4
153.05467	0.4
153.06920	0.5
154.07773	0.5
155.08572	2.8
156.09328	0.9
157.06496	1.2
157.10110	1.7
158.07263	2.1
159.08058	21.6
159.11711	1.3
160.08704	1.5
161.06007	1.3
161.09619	2.9
162.06714	0.4
163.07570	2.2
163.11241	0.5
165.07021	1.2
165.09065	0.5
166.07683	0.5
167.08530	1.7
168.09315	0.5
169.06499	0.4
169.10126	1.7
170.07231	0.5
171.07994	3.5
171.11734	0.9
172.08794	1.3
173.05978	0.7
173.09644	3.8
174.06784	0.4
175.07561	3.9
175.11142	1.0
176.11565	0.4
177.09113	1.3
178.07770	0.5
179.08554	1.7
180.09416	0.7
181.06503	0.6
181.10103	2.0
182.07341	0.8
182.10777	0.4
183.08110	2.6
183.11658	2.1
184.08835	0.8
185.05972	0.5
185.09628	3.1
185.13275	0.5
186.06883	0.4
186.47572	0.4
187.07507	1.4
187.11234	2.3
189.09108	1.3
191.07036	0.9
191.08629	0.8
192.09302	0.9
193.10086	2.4
194.07338	0.4
194.10867	0.6
195.08023	1.8
195.11690	1.5
196.08846	0.5
197.09647	3.5
197.13261	0.5
198.10391	1.5
199.07582	1.5
199.11163	2.9
200.08255	0.4
201.09071	1.1
201.12746	0.7
203.07014	1.4
203.10703	1.7
205.08548	0.5
205.10219	0.5
207.11615	1.0
208.08875	0.5
209.09615	1.7
210.10370	0.7
211.07556	1.3
211.11189	6.4
211.14587	0.4
212.08408	0.4
212.11877	0.7
213.09198	1.8
213.12790	0.9
215.08673	0.4
215.10728	1.4
217.08470	0.4
217.10320	0.5
217.12111	0.5
218.10942	0.5
219.11795	0.4
220.27745	0.5
221.09628	2.0
222.10455	0.4
223.11151	1.7
224.11885	0.6
225.09094	1.6
225.12758	2.4
226.09894	1.3
226.13472	1.5
227.10669	1.4
227.14316	0.5
229.12175	0.8
231.10172	1.5
233.09534	0.5
235.11145	1.2
236.11981	1.1
237.12730	1.4
239.10657	3.9
239.14310	0.6
241.08585	0.6
241.12216	3.5
247.11186	0.7
249.12816	0.8
251.10548	0.8
253.12305	3.7
254.13022	24.2
255.09926	0.5
255.13736	2.2
261.12787	0.5
263.10626	0.7
263.14383	0.7
264.11380	1.1
265.12234	1.3
267.10126	1.0
267.13904	0.7
269.11725	1.2
274.14301	0.5
275.14505	0.5
277.12341	0.5
279.14017	0.5
279.17316	0.5
281.11813	0.7
281.15359	0.9
282.12506	2.5
283.13235	1.4
285.11194	0.6
287.14352	0.6
291.13730	0.5
293.15082	0.5
299.12823	0.6
300.13489	2.6
303.17157	0.4
306.16150	0.8
307.16937	1.7
309.14832	0.7
317.15250	0.4
325.17920	0.9
327.17081	0.5
331.16968	0.8
345.18484	1.3
355.16757	0.9
363.19608	1.9
365.17444	0.5
373.18005	3.3
375.19803	0.5
377.21118	0.6
391.19043	14.1
392.19159	1.3
393.20770	0.6
401.17435	3.3
403.19003	1.0
409.20236	0.9
419.18536	10.1
420.18655	0.7
421.20093	4.3
422.20679	0.6
423.21259	0.6
437.19592	17.9
438.19998	1.3
439.20859	0.8
449.19528	1.4
467.20532	8.1
468.21060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
55.05513	66.7
56.05849	1.3
67.05509	0.8
69.07067	1.0
69.40811	1.8
71.12756	0.3
73.84101	0.3
75.55145	0.3
79.05499	0.8
81.07050	1.7
83.04982	100.0
84.05304	1.9
91.05481	1.1
93.07050	1.9
95.08602	2.5
105.07047	1.8
107.08585	1.7
109.06532	0.7
109.10134	0.7
111.08063	0.3
111.28981	0.3
117.06989	0.6
119.08590	1.8
121.10146	0.9
123.07987	0.5
123.11702	0.4
128.06201	0.5
131.08563	0.9
133.10106	1.1
142.07718	0.5
143.08543	1.1
145.10100	1.4
147.11713	0.9
149.13261	0.3
155.08501	0.4
157.10152	1.7
159.11646	1.3
161.09616	0.7
161.13228	0.6
168.07581	0.3
169.06393	0.3
169.10126	0.9
170.10851	0.3
171.11679	1.5
173.13268	0.9
183.11696	0.6
185.09598	0.3
185.13231	0.9
187.11116	0.3
187.14780	0.3
195.11714	0.5
197.05956	0.4
197.13283	0.4
199.14774	0.5
201.12674	0.4
209.13135	0.5
211.07484	0.4
211.14786	0.6
213.16304	0.3
217.12152	0.4
219.10077	0.9
225.09035	0.6
226.06146	0.3
227.14264	0.3
229.19466	0.3
233.15431	0.4
235.14665	0.5
239.06871	0.4
241.04945	0.5
247.16972	0.4
248.08308	0.4
250.06204	0.4
251.06972	0.4
253.08571	0.7
254.05652	0.4
255.10060	0.4
263.10703	0.7
265.08612	0.3
267.06381	0.8
267.10214	0.3
267.13754	0.3
268.07364	0.3
270.05173	0.4
271.05902	0.4
273.18295	0.4
280.10931	0.4
281.07901	0.7
281.11200	0.3
283.06012	0.5
283.09479	0.3
285.07465	1.0
291.10086	0.4
293.08005	0.5
295.13147	1.0
295.24097	0.3
297.07407	1.0
299.19666	0.3
301.06958	0.8
302.07657	0.8
307.09445	0.7
309.11102	0.4
311.09119	2.2
312.09961	0.3
315.08450	0.5
316.09448	2.3
317.10034	0.4
321.11020	0.5
323.12512	0.7
327.23016	1.0
329.10141	0.6
333.21841	0.3
339.12228	0.5
343.11664	1.5
351.12119	0.5
353.13861	2.5
354.14307	1.1
355.11597	0.4
355.15402	3.3
369.13138	0.9
375.22598	0.4
377.17136	0.4
383.14737	1.0
385.16455	9.3
386.16559	1.1
398.13321	0.6
407.29184	0.5
421.30530	0.4
431.29730	1.6
437.19022	0.3
449.30444	2.0
467.20941	2.4
467.31464	3.8
468.31335	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.9
55.01870	6.1
55.05513	43.7
56.05829	5.0
57.07063	6.8
65.03929	9.3
67.05207	6.2
67.05515	44.4
69.03438	7.0
69.07069	17.9
69.16174	27.5
69.16590	12.9
71.04980	6.8
79.05501	40.0
81.03423	5.8
81.07053	39.5
83.04980	57.7
83.08611	7.7
91.05487	51.5
93.07043	81.7
95.04970	24.5
95.08050	6.9
95.08614	98.9
96.08939	5.6
97.06533	13.3
98.22589	8.8
99.04417	5.5
103.47250	4.2
105.07037	100.0
107.08600	68.1
109.06507	19.7
109.07184	4.6
109.10160	26.0
111.04443	16.8
111.08076	20.6
115.05437	8.5
117.07010	26.4
119.04941	5.2
119.08591	79.2
120.08935	5.6
121.06494	24.3
121.10111	23.8
123.08093	35.7
125.09658	6.1
128.06221	7.7
129.06990	15.2
131.08585	47.3
133.06473	26.2
133.10126	43.0
135.08064	27.0
135.11658	15.8
137.06017	12.4
137.09607	17.3
139.07545	15.7
141.07011	19.2
141.09102	8.9
142.07776	15.6
143.08583	39.7
145.06465	8.0
145.10133	76.2
147.08054	22.5
147.11710	62.0
149.02359	13.2
149.09665	12.2
149.13269	6.1
153.09081	4.3
154.07730	6.8
155.08591	22.9
156.09325	15.2
157.10138	49.0
159.08041	19.9
159.11688	42.7
160.12230	5.9
161.09596	34.2
161.13269	6.8
163.07555	5.5
163.11118	6.9
165.06975	6.3
165.09117	13.4
166.07684	4.6
167.08536	9.2
169.10146	30.9
170.10806	10.2
171.08025	13.1
171.11710	42.3
173.09642	17.1
173.13266	18.8
175.11176	17.0
175.14906	7.6
179.08577	11.5
180.09314	9.5
181.08716	5.5
181.10138	17.1
182.10895	7.2
183.08116	5.3
183.11749	25.2
185.09644	14.8
185.13268	18.0
187.07616	7.3
187.11209	13.7
187.14812	6.2
189.09105	7.9
189.12766	11.5
191.10623	5.3
192.09337	8.7
193.04997	12.7
193.10132	16.4
193.12323	5.8
194.05327	8.6
194.10881	6.8
195.11647	27.3
196.12428	6.1
197.09637	11.5
197.13251	18.9
199.11195	16.3
199.14964	7.4
201.12735	16.1
203.10764	6.0
203.14243	5.1
205.10181	6.0
205.12221	9.2
207.11665	19.4
208.12251	6.6
209.09662	6.6
209.13156	19.3
211.11212	16.6
211.14789	11.3
213.09166	4.9
213.12836	21.8
213.16263	6.1
215.14302	11.2
217.12212	8.5
219.11707	9.0
221.13229	18.4
223.11214	8.6
223.14845	15.0
225.12732	14.1
227.14284	11.1
233.13254	9.7
235.11156	5.7
235.14833	10.8
237.07547	9.6
237.12668	11.1
237.16438	5.3
238.08005	10.9
238.13316	5.1
239.14336	6.0
241.12202	9.6
241.15829	8.0
243.13945	7.4
245.13210	5.5
249.12814	9.4
249.16460	5.8
251.14163	13.9
251.18047	7.5
253.15816	9.0
255.13818	7.5
257.15277	7.4
257.26639	6.0
263.14389	11.2
263.17902	10.0
265.16025	6.3
267.13992	4.6
267.17462	8.8
269.15500	11.6
269.18915	10.8
273.15790	5.5
275.17905	7.8
277.15970	6.3
285.18518	8.9
287.16748	5.0
287.20044	13.5
291.17438	13.8
293.18759	8.4
297.18585	11.4
305.08145	5.8
309.18402	15.3
311.20090	9.4
313.18002	6.0
321.07571	6.7
327.19537	5.8
329.76172	4.6
351.12103	11.3
363.22897	5.1
403.25964	10.9
407.25876	10.8
413.24823	8.7
421.27271	25.7
431.25702	57.0
449.26727	76.0
449.31329	4.9
450.27167	9.2
467.26907	88.0
467.32687	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.9
55.05512	7.3
57.07084	1.1
58.48473	0.8
65.03921	1.1
67.05502	12.4
69.03410	0.9
69.07072	4.5
71.04976	2.1
73.11310	0.8
74.52277	0.8
79.05495	6.1
81.07059	11.9
82.07452	0.8
83.04977	12.9
83.08629	1.1
91.05481	11.0
92.28781	0.7
93.07048	15.4
95.04973	4.5
95.08603	25.7
97.06508	3.1
105.07030	13.9
107.08583	11.9
109.06508	6.2
109.10158	6.9
111.04432	7.7
111.08080	4.9
113.06009	3.1
117.06998	5.6
119.08578	13.8
121.06532	3.9
121.10124	7.7
123.08066	9.1
123.11706	1.3
125.05971	1.4
125.09656	3.3
128.06206	2.0
129.07024	8.6
130.07820	1.0
131.08562	11.0
133.10130	9.8
134.10446	1.2
135.08054	2.5
135.11673	3.4
137.09610	3.6
139.07552	3.3
141.06941	4.4
142.07834	4.7
142.08826	0.9
143.08545	14.4
145.10121	16.6
147.03993	0.8
147.08040	3.0
147.11697	5.7
149.09642	2.0
151.07512	1.5
151.11208	1.2
153.06927	0.9
154.07756	2.2
155.07294	1.5
155.08549	12.3
156.09322	3.4
157.10129	18.1
159.08040	2.0
159.11699	8.0
161.09616	6.0
161.13234	2.1
165.07054	1.2
166.07645	1.2
167.08548	4.5
168.09303	2.3
169.10120	12.2
170.10779	2.3
171.08078	1.0
171.11693	11.8
173.09628	2.9
173.13217	5.2
175.11223	2.5
175.14804	1.3
177.09085	0.9
177.12791	1.1
178.07779	0.9
179.08591	3.0
179.10707	1.1
180.09355	2.0
181.08644	1.7
181.10117	10.1
182.07211	1.0
182.10905	3.7
183.08037	1.4
183.11676	15.0
184.12430	2.0
185.09625	1.8
185.13289	7.9
186.14032	1.0
187.11177	2.1
187.14844	3.0
191.08701	0.9
191.10648	1.7
192.09291	2.1
193.10158	8.8
194.10866	3.3
195.07985	1.1
195.11674	11.3
196.12424	2.7
197.09612	1.4
197.13249	11.1
198.10425	1.1
198.13837	1.4
199.11180	2.6
199.14812	4.9
201.09009	1.0
203.14331	1.1
205.10165	2.5
206.10965	1.8
207.11691	8.7
208.12326	1.6
209.09814	1.8
209.13205	13.1
210.10428	1.0
210.13805	2.0
211.11267	4.4
211.14801	7.5
213.12767	2.1
213.16373	2.4
215.14314	1.9
217.10144	1.1
217.12234	1.5
219.11714	2.4
219.13724	1.4
220.12428	1.7
221.13268	8.1
222.13988	1.2
223.11136	1.5
223.14825	7.0
224.15396	1.4
225.12776	5.5
225.16325	8.2
226.17020	1.0
227.10629	3.1
227.14302	3.9
229.12357	1.8
229.15819	1.0
233.13229	2.7
235.11104	2.0
235.14883	4.0
237.12788	1.3
237.16388	4.9
238.17174	1.3
239.14273	2.9
239.17923	6.8
241.15862	2.2
243.13783	1.0
247.14806	2.7
249.12587	1.1
249.16350	7.8
250.13429	0.9
251.14337	3.0
251.17981	2.4
253.12238	1.7
253.15843	2.1
253.19682	1.2
255.13637	1.2
257.15393	1.6
261.16440	1.7
263.14200	1.6
263.17969	2.6
264.18338	1.0
265.15900	2.8
265.19595	4.5
266.20074	1.0
267.14175	1.8
267.17407	12.9
269.15317	4.3
271.16968	1.9
273.16656	1.0
275.14398	1.1
275.17911	2.5
277.15781	2.3
277.19391	2.0
279.20908	0.9
281.15302	1.7
281.18976	1.7
281.22797	1.0
283.16931	2.6
283.20593	2.7
289.19464	1.0
290.20322	1.9
291.17569	1.8
291.20749	1.5
293.15390	1.3
293.18924	2.4
299.20291	1.1
305.18787	1.3
307.16901	1.5
307.20593	1.3
308.21375	3.0
309.18588	4.4
309.21838	1.3
323.20129	1.0
327.19534	3.7
335.20081	2.8
337.21625	1.8
339.23294	0.9
349.21848	1.7
350.22415	1.0
351.19296	1.1
361.25098	1.4
363.23294	2.2
365.20615	1.3
365.24722	13.4
366.24991	1.5
371.23547	0.9
379.26227	6.8
381.27829	1.5
385.25479	1.9
389.24719	8.6
390.25369	1.1
391.22705	1.4
403.26382	9.8
405.27881	12.0
407.25800	100.0
408.26120	10.1
409.23700	2.1
413.24670	2.4
421.27335	3.7
423.28934	24.0
424.29236	2.6
431.25800	8.7
449.21112	1.6
449.26907	27.7
450.27237	3.5
467.13132	4.2
467.27951	8.5
468.14206	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41800	1.1
53.03944	4.4
53.86034	1.1
55.01865	1.1
55.05510	88.2
56.05845	2.3
64.29977	1.0
67.05504	10.1
68.25581	1.0
69.03416	1.2
69.07060	3.9
69.11497	10.6
71.04987	1.2
75.04481	3.1
79.05485	5.5
80.65897	1.1
81.07054	10.4
83.04980	100.0
83.08615	2.1
84.05312	4.6
85.06540	1.8
88.98692	1.0
91.05479	9.3
93.07034	15.2
94.88782	1.1
95.04980	2.2
95.08601	20.0
95.09154	1.5
97.06523	1.7
97.44347	1.0
99.04518	1.7
102.04729	1.5
105.07027	16.1
107.08584	11.2
109.06538	4.5
109.10152	8.3
111.04448	3.3
111.08086	3.8
115.05430	1.6
117.07027	4.9
119.08577	16.1
121.06503	4.7
121.10131	6.5
123.08051	3.9
123.11713	2.4
127.51095	1.0
128.06204	2.4
129.07018	5.2
131.08562	9.3
133.10138	7.6
135.08070	3.5
135.11685	3.5
137.05991	4.8
137.09587	1.5
139.07573	3.3
141.06987	3.4
141.09079	2.0
142.07756	5.4
143.08553	11.6
144.09329	1.5
145.10124	12.1
147.08069	3.2
147.11693	4.6
149.09601	3.1
149.13310	1.2
152.06198	1.6
153.07030	3.0
155.08556	8.9
156.09406	2.0
157.10115	15.2
159.08047	3.0
159.11682	8.8
161.09648	3.8
161.13290	3.5
163.11209	1.6
165.06960	7.9
166.07779	2.2
167.08569	4.3
168.09328	2.2
169.10118	8.6
170.10887	1.4
171.08075	5.1
171.11662	9.0
173.09637	4.0
173.13269	4.0
175.11169	2.9
177.09102	1.5
178.07787	6.3
179.08545	7.3
180.09283	2.9
181.06584	2.3
181.10121	6.5
182.10944	2.1
183.08089	1.6
183.11650	8.3
184.12338	1.2
185.09645	9.7
185.13332	3.6
187.11259	3.4
187.14885	1.5
189.07033	7.2
189.12697	2.8
190.07758	2.8
191.08560	4.7
192.09375	3.7
193.06508	1.4
193.08583	1.3
193.10123	6.5
194.07231	1.3
194.10913	3.8
195.08154	5.3
195.11668	7.4
196.08862	1.5
196.12421	1.7
197.09593	3.5
197.13257	6.6
199.11226	3.0
199.14815	3.1
201.09230	1.4
201.12698	2.9
202.07875	1.4
203.10712	1.2
205.06477	2.8
205.10229	2.4
206.07298	2.5
206.10812	1.9
207.08083	5.0
207.11732	9.3
207.13545	1.8
207.97079	1.3
208.08826	2.3
208.12515	1.8
209.09636	4.1
209.13275	10.2
210.10425	4.1
211.07686	1.2
211.11182	4.0
211.14803	5.1
212.04791	1.2
213.12749	3.5
213.16385	1.9
215.14476	2.2
217.06592	2.0
217.10074	1.5
218.07202	1.7
219.08012	5.4
219.11639	2.7
220.08727	2.0
220.12350	1.6
221.05991	2.5
221.09639	3.6
221.13214	7.9
221.15239	1.7
222.06709	1.1
222.10379	4.6
222.13774	1.6
223.07579	4.2
223.11276	5.5
223.14807	4.5
225.09169	1.4
225.12769	6.3
225.16490	2.8
227.14311	3.6
231.11746	1.3
231.13744	1.5
233.06026	1.6
233.13193	3.2
233.15251	1.5
234.06734	6.8
234.10245	1.2
234.14014	1.4
235.07518	10.4
235.11197	4.9
235.14764	3.1
236.04715	2.0
236.08195	1.8
236.11981	1.3
237.05333	1.3
237.09018	3.3
237.12726	9.8
237.16322	2.4
239.06952	1.7
239.10667	2.6
239.14290	2.2
241.15997	1.4
245.06087	1.8
245.15431	2.7
246.06622	1.7
247.07504	4.0
247.14857	3.3
249.05533	5.3
249.09073	7.1
249.12798	4.0
249.16460	2.8
250.06320	2.4
250.09839	3.0
251.07108	7.8
251.14273	4.0
251.17926	1.7
252.04121	2.8
252.14722	1.2
253.05168	1.7
253.08467	1.7
253.12105	5.7
253.15880	1.6
255.13753	2.7
259.14688	1.5
261.05469	2.5
261.12891	1.6
262.06216	6.5
263.06958	13.2
263.14334	4.3
263.17950	5.1
264.07864	5.4
265.04892	2.1
265.08612	5.6
265.15857	2.2
265.19513	1.7
266.05811	1.6
266.09470	1.8
267.06488	3.0
267.13831	1.3
275.07068	6.9
275.14172	2.4
276.07809	7.4
277.05072	3.8
277.08597	14.7
277.15790	3.7
278.06021	2.7
278.09219	5.3
279.06445	8.4
279.09454	1.2
279.17334	1.4
280.03680	3.8
280.07111	2.2
280.10391	1.3
281.08182	2.9
281.11777	8.6
281.14645	1.3
281.19116	1.6
289.15897	1.7
291.06433	4.9
291.17371	13.0
292.07339	13.0
293.08044	34.3
293.19046	1.5
294.05472	1.6
294.08655	6.6
295.03070	1.3
295.06012	5.6
295.09265	1.6
296.06763	1.2
303.06506	5.3
304.06860	1.3
305.08041	4.5
306.08801	2.0
307.06006	4.6
307.09576	36.7
307.17029	1.2
307.20486	2.0
308.06812	2.3
308.10367	42.9
309.07547	5.5
309.11133	15.8
309.18594	6.7
309.21701	1.4
310.08307	13.8
310.11502	1.6
311.08975	3.3
317.19028	3.0
319.05939	1.9
320.06784	3.8
321.07440	5.4
322.08389	2.7
323.08960	5.9
324.09698	2.4
327.23175	3.2
335.09085	22.5
336.09647	5.9
337.07224	1.8
337.10757	6.7
339.12326	10.6
347.20016	2.1
352.09427	4.6
353.10150	1.5
355.12009	1.3
367.11713	22.9
368.12296	1.8
383.25653	1.4
385.12433	1.3
391.22629	3.2
403.26218	7.7
405.23645	1.7
405.28360	2.8
409.23709	1.7
413.24698	4.7
431.25711	62.2
432.25861	6.0
449.26617	29.2
450.27185	2.2
467.17291	8.5
467.27252	17.2
468.27963	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	35.9
56.36517	3.1
57.03418	4.2
67.05505	42.6
69.03435	5.2
69.07067	16.7
73.84132	3.4
79.05481	22.7
79.84743	4.0
81.07053	38.6
82.27016	3.6
83.04989	44.8
83.08609	8.1
84.05318	4.4
85.06579	4.6
91.05475	36.1
93.07038	59.1
94.07395	3.7
95.04957	11.0
95.08601	73.3
96.08958	4.3
97.06542	9.4
97.10178	5.0
97.35966	3.7
99.04459	4.5
102.43707	3.5
105.07037	62.3
106.04890	3.4
106.07333	4.0
107.08578	43.4
109.06519	11.9
109.10152	22.7
111.04431	9.1
111.08073	21.1
117.07012	12.7
119.08575	53.4
121.06522	13.8
121.09409	3.6
121.10143	24.0
123.08057	40.1
123.11738	6.3
125.09624	5.9
128.06242	5.1
129.06992	10.4
131.08559	32.8
132.37100	4.3
133.06480	7.8
133.10123	32.1
135.08044	18.4
135.11699	14.1
137.05966	5.7
137.09618	11.6
139.07576	9.2
141.07030	5.7
142.07787	11.7
143.08543	31.3
145.06497	6.2
145.10107	39.0
146.10417	3.6
147.08046	18.1
147.11691	16.5
149.09628	11.8
151.07480	6.5
153.07034	5.2
153.09102	4.1
155.08571	27.0
156.09322	7.7
157.10138	44.4
158.10783	4.4
159.08051	8.5
159.11703	31.4
160.08838	4.7
161.09601	19.9
161.13260	12.3
163.07564	4.2
163.11206	9.8
165.09085	7.3
167.08537	9.0
169.10132	26.4
171.08070	10.1
171.11746	22.3
172.08789	6.7
172.12360	4.7
173.09628	15.4
173.13266	20.9
175.11237	13.5
177.09033	5.8
177.12918	3.9
179.08534	9.6
181.10123	15.0
182.10881	8.2
183.08080	3.9
183.11690	23.8
184.12448	5.2
185.09669	15.6
185.13239	17.8
187.07573	7.2
187.11235	15.8
189.12767	14.1
192.09146	3.9
193.10120	10.1
194.10922	6.3
195.11726	24.1
197.09589	7.1
197.13307	22.6
199.11166	19.1
199.14851	11.8
201.12738	12.8
205.10139	7.3
205.12239	5.3
207.11668	15.3
208.12479	6.5
209.09625	7.9
209.13274	19.7
210.14021	4.2
211.11221	12.4
211.14761	12.5
213.12741	12.1
213.16342	7.2
215.10680	7.6
215.14363	7.9
219.11758	6.1
220.12325	4.6
221.09615	8.6
221.13263	13.3
222.13924	3.6
223.11197	12.0
223.14851	11.8
225.12683	18.3
225.16318	6.8
227.14296	9.9
229.12268	7.4
229.16042	5.7
231.13844	6.6
233.13310	8.0
235.11171	5.0
235.14786	11.0
237.12749	16.3
237.16405	7.2
239.14270	10.1
239.17989	7.7
243.13849	8.6
245.13231	5.0
245.15431	5.5
249.12703	6.2
249.16365	8.5
251.14313	7.9
251.17885	5.3
253.12109	7.1
253.16011	6.9
255.13744	5.4
261.16238	5.2
263.17868	9.4
264.15143	4.5
265.15915	6.4
265.19351	5.6
267.13858	4.7
275.17740	5.0
276.15405	4.3
277.15836	13.3
281.15353	5.0
281.18903	6.5
285.03564	4.5
291.17465	11.5
292.17947	4.5
297.18558	4.3
299.05606	5.1
300.05972	10.4
301.06122	15.3
305.19037	7.0
305.22443	4.2
309.18481	10.7
311.20059	5.1
315.19818	4.7
317.18958	8.1
321.21817	4.2
332.21597	6.7
335.19940	5.5
379.26419	3.9
382.09918	4.7
383.09869	8.0
389.24615	4.8
403.26196	14.0
409.23297	5.8
413.24362	5.5
421.27582	4.9
431.25641	80.8
432.26138	7.0
449.26566	100.0
450.27225	7.7
467.27109	29.1
467.31213	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3155
Annotation	Mastigophorene A
Peak:m/z	Relative Intensity
53.03927	0.3
55.05511	2.7
57.07078	3.4
59.04994	0.5
60.35183	0.4
61.82942	0.4
65.03943	0.5
67.05505	11.9
69.07064	1.8
70.16724	0.4
71.04967	0.4
71.08631	2.6
79.05466	1.3
80.62263	0.3
81.06656	0.4
81.07059	4.9
83.04951	0.7
83.08620	2.5
85.06548	0.4
85.10159	1.6
89.06049	0.8
91.05476	1.7
93.07055	2.5
94.07356	0.3
95.08605	6.2
97.06535	0.4
97.10157	0.6
104.32922	0.4
105.07014	2.6
107.08595	2.0
109.06534	0.4
109.09454	0.6
109.10159	9.2
111.08076	0.7
117.07018	0.6
119.08586	3.2
121.06393	0.3
121.10124	1.3
123.08096	0.5
123.11703	1.0
124.21685	0.5
129.06963	0.4
131.08562	1.1
133.08629	0.5
133.10098	2.0
135.08006	0.6
135.11653	1.0
137.09607	0.6
142.07710	0.5
143.08533	0.7
145.10190	2.3
147.08023	0.4
147.11638	1.1
149.13200	0.6
155.08513	0.6
157.10109	2.0
159.11697	2.2
161.09642	0.6
161.13176	0.7
163.11209	0.5
168.09256	0.4
169.10135	0.9
171.11681	1.5
173.09621	0.6
173.11751	2.1
173.13277	1.1
175.11223	0.5
175.14882	0.6
181.10178	0.4
183.11670	0.9
185.13248	1.0
187.03664	100.0
187.14781	0.8
188.03986	3.0
189.12764	0.8
197.13310	0.7
199.14830	0.8
201.16364	0.6
205.04759	1.5
209.13269	0.5
211.11183	0.4
211.14796	0.8
213.12766	0.4
213.16396	0.6
228.06339	2.5
231.17542	0.4
233.15475	0.5
239.23743	0.7
271.17105	0.4
283.17480	0.6
303.26541	3.7
327.23196	0.5
421.30792	0.6
431.29593	0.8
435.32281	0.7
449.30252	0.8
467.31345	44.0
467.37338	7.2
468.31754	4.7
468.37650	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3131
Annotation	Mastigophorene A
Peak:m/z	Relative Intensity
59.60778	0.6
66.79408	0.8
67.05490	1.7
69.38644	4.3
82.47719	0.7
95.08597	0.8
98.22884	2.2
109.10156	1.0
187.03664	100.0
188.03999	2.5
205.04819	0.8
228.06305	1.1
281.05386	0.7
284.59930	0.8
293.43008	0.9
303.26581	34.1
304.26935	1.4
304.46243	0.7
346.42944	0.8
467.31320	54.2
468.31641	5.0
492.39957	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3154
Annotation	Stellettin K
Peak:m/z	Relative Intensity
50.03453	2.3
53.03939	4.1
55.05511	23.9
57.07066	4.2
65.03939	2.4
67.05503	27.7
69.03456	2.8
69.07063	19.5
69.32030	13.1
69.32436	6.1
69.99347	2.3
79.05495	18.2
81.07056	25.5
83.04977	51.1
83.08628	4.0
85.02921	3.7
91.05486	23.3
93.07043	44.4
95.04985	5.5
95.08609	58.1
95.09229	3.2
97.06511	8.3
98.23074	10.5
99.04495	3.8
103.05447	3.2
105.07023	41.4
107.08598	31.0
109.06499	8.3
109.10161	18.2
111.04439	20.0
111.08086	14.2
111.11702	3.2
113.06023	5.2
117.07029	11.9
119.08578	45.2
121.06507	9.7
121.10117	22.8
123.08071	9.8
123.11687	6.5
128.06219	3.8
129.07001	10.8
130.07678	3.2
130.18037	2.6
131.08551	23.5
133.06517	3.1
133.10112	30.5
135.08029	4.0
135.11687	13.2
139.07553	7.6
140.12477	2.6
141.06995	8.6
141.09116	4.4
142.07787	10.3
143.08540	25.8
144.09332	4.1
145.06506	3.8
145.10115	34.2
147.08015	7.7
147.11658	18.0
149.13251	6.4
155.08562	20.3
156.09326	12.6
157.10126	58.0
158.10709	4.6
159.08038	4.8
159.11671	32.6
160.08902	3.0
160.12064	2.6
161.09616	6.9
161.13261	10.5
163.11198	3.1
165.07040	4.2
167.08670	3.0
168.09369	5.0
169.10144	23.4
170.10869	9.8
171.11681	40.0
172.12228	4.4
173.09683	10.8
173.13255	15.8
175.11183	9.3
175.14804	6.9
179.10544	2.7
181.10158	14.1
182.10909	5.6
183.11665	28.7
184.12425	5.2
185.09624	4.1
185.13225	30.7
187.11171	7.6
187.14873	8.9
189.12750	10.9
191.10741	3.7
193.10167	7.0
195.11716	15.9
196.12352	5.7
197.09598	3.6
197.13235	26.7
198.14018	4.8
199.11189	7.9
199.14812	15.0
200.15517	3.1
201.12741	4.4
201.16389	3.9
207.11707	9.6
207.13834	8.5
208.12329	3.7
209.13269	15.6
210.13858	5.8
211.11285	5.3
211.14842	18.8
212.15666	3.5
213.12753	9.2
213.16318	15.4
215.14349	5.3
217.12305	7.1
217.15831	4.5
219.11792	4.9
219.13751	3.5
221.13242	10.3
223.14828	12.6
225.12730	7.3
225.16409	11.0
227.14262	4.5
227.18030	5.7
233.13242	5.1
233.15359	6.9
235.14781	9.6
235.16939	3.1
237.16377	18.1
239.14250	5.3
239.17934	7.2
245.15308	4.3
247.14719	4.7
249.16400	5.7
251.14247	3.4
251.17816	6.3
253.15860	7.1
253.19592	5.4
255.17424	9.8
257.15280	3.2
263.17905	6.8
265.15842	6.4
265.19476	4.8
267.17667	2.9
269.18808	3.9
271.16870	5.4
273.18445	8.1
275.20166	6.7
279.17352	3.7
283.17151	3.1
283.20343	3.0
285.18536	4.4
291.21069	5.3
293.19217	4.5
293.22519	3.6
295.21017	4.8
295.24063	13.4
307.20752	4.6
308.25214	3.4
309.22162	8.7
311.20026	5.2
311.23419	3.1
317.22260	3.0
321.22003	3.1
325.21640	7.5
327.23166	6.6
332.24841	6.2
333.25720	2.9
335.23746	12.3
337.25372	9.6
339.23120	4.1
350.25943	3.9
351.22879	4.0
353.24762	5.3
368.27011	26.9
375.23102	4.8
403.29807	3.9
407.29468	67.2
408.29773	4.4
411.25464	3.4
413.28424	12.8
421.30746	11.5
431.29413	68.6
432.29941	15.1
449.30466	100.0
450.30783	18.4
467.31534	84.6
468.31760	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	22.5
57.07076	33.5
59.05006	4.9
65.03905	4.7
67.05504	100.0
69.07064	21.6
71.08627	20.5
71.47249	3.3
79.05486	13.1
81.07054	42.7
81.56897	3.8
83.04983	9.0
83.08619	20.3
85.06526	5.8
85.10167	13.7
89.06030	3.7
91.05476	20.6
93.07045	29.0
95.04983	6.8
95.08607	88.4
95.65800	3.8
97.06512	4.2
97.10136	7.1
105.07037	27.5
107.08591	32.7
109.10159	82.3
111.08067	9.1
117.07056	6.4
119.08593	28.8
121.10151	23.7
123.08051	7.9
123.11700	11.1
129.06973	8.1
131.08554	19.1
133.08635	4.9
133.10117	21.7
135.11732	6.2
137.09621	4.4
137.13182	4.2
139.07559	3.8
141.09161	4.2
143.08533	17.7
145.10092	24.1
147.08041	5.5
147.11707	11.3
149.09642	4.9
149.13326	5.1
151.14857	4.3
153.83549	3.6
155.08606	4.4
155.10695	5.2
156.09320	5.6
157.10176	20.2
157.11256	4.1
159.08023	4.1
159.11662	23.5
161.09726	8.3
161.13295	10.6
167.10622	4.0
169.10138	12.3
171.11670	15.1
173.09555	7.6
173.11719	20.7
173.13275	11.5
177.12926	4.1
183.11664	10.6
185.13249	12.2
187.11131	5.5
187.14809	7.6
189.12732	3.9
197.13255	11.6
199.14874	11.6
201.12712	5.1
201.16293	6.2
209.13248	7.1
211.14748	6.2
213.16454	5.1
215.14351	5.5
219.13777	6.6
225.16382	6.8
227.14381	5.5
227.17944	4.8
229.15918	7.1
230.24713	3.8
233.15453	10.1
235.14813	4.0
235.16925	6.1
237.16219	4.2
239.23753	5.9
241.15640	4.2
241.92924	4.0
247.16896	6.2
279.17432	4.4
311.23706	4.1
327.23029	9.5
407.29663	8.3
421.31000	10.1
431.29514	11.4
449.30661	29.7
467.31357	44.9
467.37289	64.2
468.31662	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05742	1.6
55.05506	10.0
57.07078	9.4
65.03951	3.5
67.05502	20.5
69.07069	11.4
69.34290	3.8
69.34696	9.9
71.04972	2.6
71.08632	2.8
78.05403	1.9
79.05486	10.7
81.07061	22.2
83.04980	10.0
83.08633	3.3
85.06553	3.4
85.10183	2.4
89.06005	6.0
91.05487	12.1
93.07042	25.6
95.04978	6.1
95.08604	42.2
97.06528	4.2
97.10153	2.0
99.04472	2.3
99.08105	2.4
105.07028	29.4
106.35267	1.6
107.08595	27.9
109.06502	5.0
109.10156	18.1
111.04429	3.4
111.08083	6.0
117.07008	5.5
119.08580	29.1
121.06514	5.6
121.10139	22.5
123.08071	15.6
123.11704	6.2
125.09594	2.2
128.06238	2.4
129.07018	5.0
131.08553	16.4
133.08615	1.9
133.10149	21.1
135.08034	13.4
135.11682	7.4
137.09599	5.2
137.13269	3.0
139.07561	4.2
139.11183	4.0
141.06975	4.0
141.09122	3.8
142.07785	5.9
143.08568	13.9
144.09363	2.8
145.06471	2.0
145.10114	27.5
146.10873	2.4
147.08083	5.2
147.11739	8.0
149.09615	6.9
149.13280	4.1
151.11201	2.5
154.40120	1.9
155.08551	8.2
156.09323	5.2
157.10114	33.8
158.10869	2.5
159.08046	2.0
159.11710	23.2
161.09618	15.6
161.13268	13.9
163.11185	3.5
163.14937	1.9
167.08539	3.4
168.09328	3.1
169.10136	23.0
170.10806	6.0
171.11693	24.7
172.12120	3.1
173.09593	4.7
173.13264	13.7
175.11206	7.1
175.14886	4.1
177.12732	3.7
179.08566	3.1
179.10631	5.2
180.09430	2.8
181.10143	7.4
182.10898	5.5
183.11685	25.2
184.12376	3.7
185.09630	2.8
185.13232	22.0
187.11137	8.7
187.14830	7.9
189.12794	7.8
193.10103	6.8
194.10956	5.1
195.11662	12.4
196.12418	3.3
197.13268	15.9
198.13986	1.8
199.11118	4.6
199.14792	10.7
200.15329	2.3
201.12743	9.0
201.16446	3.7
203.14288	4.7
203.42281	1.8
206.10840	2.0
207.11691	6.4
208.12422	6.7
209.13271	13.1
210.13855	2.8
211.14836	10.0
212.15508	2.3
213.12849	3.3
213.16394	5.9
215.14290	6.3
217.12181	1.9
220.12524	2.4
221.13234	10.2
222.13997	3.2
223.11366	2.5
223.14810	33.3
224.15433	3.6
225.12675	1.7
225.16399	9.7
227.14256	2.9
227.17885	3.4
229.15872	4.1
231.13844	1.9
233.13113	2.6
233.15337	1.8
234.14012	2.0
235.14885	9.1
236.15526	2.7
237.16371	9.5
238.17194	2.6
239.14331	4.4
239.17935	6.0
241.15802	5.4
243.17387	9.9
247.14799	3.4
247.17007	3.0
248.15570	2.3
249.16420	9.8
251.17957	9.5
253.15907	8.4
253.19388	2.8
255.17462	11.8
262.59790	1.7
263.17865	5.2
264.18671	4.3
265.16147	2.4
265.19498	3.3
267.17490	6.1
267.21005	1.8
269.18918	12.2
271.20639	4.8
277.19290	2.2
281.18982	4.1
281.22705	2.0
283.20639	1.9
289.19498	2.7
291.17651	2.4
291.21008	5.7
293.18933	3.1
295.20547	3.8
305.19092	2.6
307.20560	5.6
308.21310	2.0
309.22067	39.4
310.22665	3.7
311.20184	2.2
311.23645	2.6
313.27386	2.3
317.22748	4.9
327.23135	4.6
333.22379	2.8
335.23685	7.3
345.22089	9.1
350.26138	3.5
351.22955	3.0
363.23233	11.9
403.30026	6.7
404.30066	2.2
413.28320	6.1
421.31332	2.4
431.29477	33.7
432.29755	2.0
449.30475	100.0
450.30957	11.6
467.31482	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3156
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.03941	3.6
55.05517	19.2
57.07065	2.1
60.69733	2.0
61.84608	1.9
63.18657	2.0
64.82298	2.1
65.03941	3.5
67.05501	26.3
67.10683	2.2
67.38559	1.8
69.04982	7.5
69.05389	13.0
69.07069	21.4
69.07919	2.1
71.04989	4.0
79.05493	14.9
81.07066	35.5
83.04961	8.9
83.08611	8.2
91.05473	23.2
93.07047	42.8
95.04959	6.6
95.08604	58.2
97.06506	5.2
98.23290	7.5
99.04446	2.7
105.07032	48.1
107.08598	40.8
109.06538	3.6
109.10155	21.9
111.04448	5.7
111.08086	12.0
113.05996	3.5
117.07004	10.5
119.08585	47.0
121.06538	5.6
121.10149	31.7
123.08086	12.6
123.11701	8.8
127.07559	2.4
128.06256	6.7
129.06979	12.6
130.07831	3.3
131.08565	31.8
132.06557	2.5
133.06442	2.6
133.10124	27.2
135.08026	3.9
135.11722	13.7
137.13269	3.5
139.07539	4.8
141.06982	6.5
141.09117	4.8
142.07762	10.0
143.08549	38.6
144.09296	3.2
145.10132	43.0
146.07294	2.2
147.08051	6.8
147.11681	17.7
149.13242	3.8
151.11142	2.7
154.07764	3.2
155.08562	21.3
156.07510	2.6
156.09329	13.8
157.10136	58.6
158.10674	3.5
159.08025	6.9
159.11700	41.9
161.09615	15.8
161.13199	11.2
163.11171	8.2
166.97220	2.3
167.08560	3.6
168.09286	4.4
169.10118	29.2
170.10886	3.8
171.11682	51.5
173.09647	6.8
173.13258	21.8
175.11209	3.6
175.14841	5.3
177.09175	3.3
179.08499	2.2
179.10675	3.4
181.10123	11.0
181.12231	7.1
182.10881	6.1
183.11671	28.6
184.12474	3.3
185.09608	5.0
185.13237	26.2
187.11198	8.1
187.14822	9.8
189.12718	4.5
191.10591	2.8
193.10139	6.5
195.11668	12.2
195.13687	2.4
196.12489	4.6
197.09651	4.5
197.13290	20.9
198.13892	3.7
199.11191	7.8
199.14857	14.9
201.12787	5.4
201.16348	4.6
205.12216	5.6
207.11655	9.6
208.12386	2.4
209.13269	13.0
210.10332	2.8
210.13843	2.9
211.11176	10.1
211.14771	19.1
212.15280	2.5
213.12758	8.0
213.16457	12.7
215.10693	2.4
215.14355	2.9
217.12308	9.3
221.13289	5.1
223.11224	2.7
223.14842	9.7
225.12750	5.0
225.16408	9.5
227.14355	4.6
227.17874	6.3
229.12141	3.3
229.19707	2.6
231.13809	3.0
233.15384	4.7
235.14760	5.7
237.16354	7.0
239.14421	4.0
239.17970	6.2
243.13838	6.8
245.15445	4.9
247.16982	7.5
249.16359	5.6
251.14249	3.7
251.18036	3.0
253.15871	8.6
253.19510	3.8
255.17519	4.9
257.15488	3.4
259.16968	3.9
261.18445	2.7
263.17984	3.2
265.15878	5.9
265.19516	3.1
267.17651	4.4
267.20947	5.8
269.15250	4.5
271.17044	14.2
271.19751	2.3
273.18512	9.0
277.19437	2.8
279.17587	2.9
281.19012	5.5
283.16989	4.8
285.18491	6.9
287.20148	9.9
289.21594	7.2
291.21082	7.4
293.19089	3.0
295.17010	2.7
295.20526	3.6
295.24115	3.2
299.20047	7.6
307.20450	4.3
309.22009	15.4
311.19980	5.4
311.23312	2.7
314.54626	2.3
321.22009	2.9
325.21664	4.2
327.23190	33.3
328.23740	3.6
333.22339	3.7
335.23660	7.1
339.23245	2.5
351.23471	3.0
353.24814	2.9
368.26837	4.8
375.23038	3.7
403.30032	6.4
407.29459	7.5
411.25131	5.6
421.30927	7.5
431.29501	30.6
432.29468	3.2
449.30515	47.7
450.30704	8.0
467.31549	100.0
468.31909	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	36.7
58.67752	3.6
66.94080	4.2
67.05507	37.4
69.03400	3.6
69.07076	23.5
69.19321	29.1
70.87021	3.2
71.04980	5.9
79.05505	21.0
81.07065	40.5
83.04984	64.4
83.08623	14.8
91.05484	29.9
93.07043	50.0
95.04983	16.9
95.08611	73.9
97.06557	13.1
97.10175	6.2
98.22585	6.4
99.04466	4.5
105.07030	55.6
107.08598	62.6
109.06522	8.0
109.10162	35.8
111.04437	29.8
111.08112	15.3
113.05997	5.8
117.07028	19.5
119.08574	63.9
121.06531	9.7
121.10145	42.7
123.08092	16.7
123.11709	8.7
129.07022	11.4
130.07758	4.3
131.08571	36.3
133.06531	5.4
133.10135	51.1
135.08047	9.0
135.11707	15.4
137.09637	3.9
139.07570	10.8
141.07024	7.6
142.07788	18.0
143.08556	39.9
144.09293	4.1
145.10123	58.2
147.08076	15.8
147.11699	44.1
149.09628	10.9
149.13295	13.2
151.11163	4.6
153.09094	7.1
155.08569	20.3
156.09373	14.6
157.10138	100.0
158.10912	6.6
159.08017	10.7
159.11705	72.2
160.12410	5.7
161.09602	19.9
161.13283	23.7
163.11212	11.7
165.12750	4.1
167.08586	4.6
167.10710	4.8
169.10164	30.0
170.10880	8.5
171.11708	73.2
172.08813	4.9
173.09641	10.3
173.13268	41.2
174.14043	16.3
175.11211	12.5
175.14818	6.9
177.12822	6.0
181.10098	8.0
181.12225	13.0
182.10832	4.9
183.11710	59.4
184.12349	8.0
185.09648	5.6
185.13258	46.8
187.11218	14.8
187.14836	16.4
189.12767	14.1
189.16432	6.5
193.10159	8.7
193.12236	5.4
194.10977	4.6
195.11694	15.2
196.12450	6.5
197.13264	41.2
198.13934	7.0
199.11249	9.2
199.14813	25.9
201.12766	17.3
201.16476	10.6
203.14268	7.0
205.12224	4.8
206.10898	4.5
207.11729	15.0
207.13843	10.1
209.13237	26.0
211.11201	9.7
211.14867	24.8
212.15529	4.6
213.12744	20.1
213.16402	12.2
215.14478	7.5
219.13814	11.9
221.13237	10.7
221.15309	6.9
223.14842	21.9
225.12807	5.7
225.16411	14.5
227.14417	10.2
229.15886	11.7
231.13861	14.6
233.15334	5.0
235.14867	9.1
237.16466	10.7
238.17151	5.0
239.14250	9.2
239.17932	9.8
241.15889	11.3
242.99986	4.0
243.13847	7.4
245.15392	9.4
247.16879	9.2
249.16328	6.6
251.14296	5.4
251.17998	11.5
253.15891	9.8
253.19492	6.9
255.17480	8.6
257.15433	5.8
259.16971	11.3
261.16309	6.8
265.15939	4.6
265.19583	12.7
267.17371	8.9
267.20996	5.5
269.19064	5.4
271.17029	11.7
273.18585	29.8
275.20081	12.7
279.17679	9.6
281.19104	9.2
281.22339	4.2
285.18542	4.6
291.20972	10.0
293.22653	5.2
297.18481	14.4
299.20038	10.0
301.21722	8.4
307.20755	5.6
309.22070	28.3
311.20047	14.2
313.21570	4.3
325.21652	12.1
327.23264	50.8
335.23688	7.5
339.23132	6.8
353.24777	10.7
368.27054	24.7
389.24518	5.7
413.28537	9.9
421.30923	16.9
431.29337	55.6
432.29715	5.0
449.30484	77.1
450.30780	10.5
467.31595	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3158
Annotation	Stellettin K
Peak:m/z	Relative Intensity
50.91799	2.2
52.40024	3.0
53.03949	4.5
55.01870	4.2
55.05513	25.6
67.05505	40.4
69.03426	3.6
69.07074	22.6
69.23569	4.6
69.23968	10.9
79.05501	25.4
81.07061	56.1
83.04977	25.9
83.08613	10.4
91.05483	43.6
92.35689	2.4
93.07042	66.5
93.07622	3.6
95.05009	13.3
95.08607	100.0
96.08991	3.2
97.06535	10.0
98.98460	2.8
103.05462	3.1
105.04549	3.4
105.07037	71.5
107.08591	65.8
107.09286	4.5
108.08964	2.7
109.06495	5.1
109.10155	38.8
111.04464	11.4
111.08077	13.2
113.06013	4.0
115.05445	4.1
116.06176	3.8
117.07039	16.5
119.08583	82.2
120.08894	4.4
121.06496	14.2
121.10147	46.9
123.08060	12.8
123.11714	18.1
125.09599	3.4
128.06198	7.8
129.07013	13.1
131.08574	49.9
133.06517	7.7
133.10123	61.0
135.08086	11.4
135.11714	26.3
137.09641	3.3
137.13235	4.2
139.07539	9.8
139.11282	3.8
141.07011	8.5
141.09059	4.5
142.07782	10.7
143.08560	38.9
144.09314	5.0
145.06500	7.7
145.10129	63.7
147.08031	20.4
147.11714	34.8
149.09673	8.1
149.13200	14.0
154.07838	3.5
155.08525	16.9
156.09357	10.2
157.06514	4.1
157.10147	43.2
158.10860	5.3
159.08072	23.5
159.11691	59.1
160.12239	4.0
161.09599	29.7
161.13280	28.3
163.11214	6.9
163.14851	11.5
165.07013	3.1
165.09149	2.9
167.08604	5.6
168.09462	3.1
169.10156	26.5
170.10883	4.6
171.08110	4.6
171.11703	36.4
172.08914	5.1
172.12384	3.9
173.09630	26.6
173.13252	40.8
175.11217	19.0
175.14856	13.6
177.09135	4.8
178.07820	3.0
179.08572	3.3
179.10681	5.5
181.10146	9.8
182.10947	3.4
183.08066	2.9
183.11691	22.4
185.09622	11.1
185.13283	34.3
186.10384	7.3
186.13794	4.5
187.11192	22.6
187.14864	27.4
189.12770	21.5
189.16379	11.1
191.10655	5.4
191.14420	4.1
193.10172	6.0
194.10936	3.2
195.11696	7.9
197.13248	20.1
199.11209	11.4
199.14874	15.2
201.12688	31.1
201.16399	17.4
203.14270	15.2
205.12170	3.6
207.11703	6.8
207.13757	6.6
209.13272	11.6
211.11261	3.5
211.14851	22.7
213.12762	19.0
213.16345	17.8
215.14320	31.6
215.17943	5.1
217.12314	5.8
217.15915	12.6
219.11850	3.2
219.13814	7.4
221.13354	4.3
223.14835	8.1
225.12773	4.8
225.16440	8.9
227.14334	14.1
227.17894	5.8
229.15907	35.2
230.16296	3.5
231.13995	4.0
231.17487	9.5
233.13422	3.7
233.15347	15.8
235.14827	6.7
235.16974	3.3
237.16423	7.6
239.17998	8.6
241.15898	9.2
243.17453	5.1
245.15413	8.1
247.17012	11.7
249.16391	7.8
251.14235	4.4
253.15727	5.0
253.19627	4.1
255.17505	3.5
257.19019	4.3
259.16721	5.1
263.17996	4.0
265.19608	4.9
267.17419	7.3
273.18668	4.3
281.22610	8.3
283.17175	2.9
291.21103	6.3
293.22354	2.9
295.24234	3.3
297.18539	2.9
301.19626	3.4
307.20663	4.1
309.18732	2.9
309.22195	12.4
325.21530	6.4
327.23401	12.5
335.23615	6.6
337.25189	3.3
353.24799	5.0
368.26941	3.6
389.24628	6.3
393.28024	3.7
396.52798	3.3
403.30420	12.5
407.29492	18.8
413.28320	11.4
421.31152	20.8
431.29431	64.6
432.29907	7.9
434.13287	2.9
449.30493	78.1
450.30872	11.7
467.31500	33.2
468.31485	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3159
Annotation	Stellettin K
Peak:m/z	Relative Intensity
55.05508	13.2
56.47561	1.9
57.07072	3.0
65.03930	2.7
67.05509	16.0
69.07071	13.5
69.09157	18.0
71.04996	5.0
79.05495	10.7
81.07058	19.1
83.04982	7.8
83.08611	5.5
85.06555	2.3
91.05482	12.1
93.07043	25.8
95.04946	2.6
95.08037	3.9
95.08617	46.0
95.32363	2.4
97.06537	4.7
97.10168	2.3
99.04468	2.4
103.05506	2.3
105.07029	34.8
107.08598	32.8
109.06547	3.3
109.10159	15.6
111.04449	3.1
111.08089	7.2
117.07047	10.9
119.08582	35.0
121.06529	3.8
121.10154	24.3
123.08083	9.1
123.11754	5.5
128.06219	3.6
129.07013	6.0
131.08556	22.9
131.09473	2.3
133.10133	18.3
135.08060	4.3
135.11694	8.4
136.07668	1.9
137.09615	2.8
137.13277	2.1
139.07576	5.0
141.06982	5.1
141.09108	5.0
142.07820	6.6
143.08577	24.3
145.10121	34.1
145.11226	3.3
147.08080	3.0
147.11665	13.8
149.09636	2.7
149.13200	3.5
151.11220	3.0
153.07036	2.0
154.07797	2.2
155.08539	16.5
156.09378	7.3
157.10127	45.7
158.10687	2.2
159.08109	4.7
159.11710	31.5
161.09634	8.4
161.13268	8.1
163.11192	7.0
165.12817	2.9
167.08652	2.5
167.10721	3.3
168.09355	3.5
169.10143	24.1
170.10899	8.3
171.08069	2.8
171.11720	31.1
173.09709	3.9
173.13255	13.5
175.11203	3.8
175.14795	3.2
179.10716	4.8
181.10149	6.2
181.12341	2.2
183.11697	24.1
185.09691	3.3
185.13289	10.9
187.11235	6.7
187.14862	8.1
189.12758	2.7
193.10205	4.8
195.11719	9.3
195.13660	2.0
196.12445	4.0
197.09669	6.8
197.13255	19.2
199.11185	6.4
199.14876	11.7
201.12769	4.3
201.16504	2.6
205.12347	4.1
207.11739	6.7
207.13680	2.8
209.13280	12.6
210.14050	2.3
211.11238	6.8
211.14899	14.2
212.11758	2.5
213.12759	5.1
213.16403	8.5
215.10732	3.4
217.12292	4.5
219.13806	4.3
221.13275	4.1
223.14867	8.7
225.12852	3.6
225.16429	8.6
227.14256	3.5
229.12219	3.5
229.15875	3.3
229.77092	2.1
231.13815	4.4
233.13203	3.4
233.15353	4.8
235.14810	6.3
237.16423	4.0
239.14314	5.4
239.17979	4.5
241.16014	3.3
243.13870	6.0
243.17390	2.6
245.15495	4.4
247.17021	4.5
249.12973	2.4
249.16382	4.5
253.16013	5.5
253.19588	3.5
255.13901	2.3
255.17459	4.6
257.15515	2.7
261.16199	2.7
261.18594	4.2
265.15845	3.3
265.19519	4.1
267.17487	4.5
267.21198	4.2
269.15585	2.4
269.18948	3.1
271.16974	8.5
273.18576	6.2
279.17508	4.3
281.18933	5.4
283.16995	4.5
285.18567	5.5
287.20135	7.0
289.21588	5.0
289.53912	2.2
291.18097	2.0
291.21133	9.3
293.19009	2.3
295.20734	2.2
299.20053	5.6
307.20636	4.3
309.18945	3.3
309.22018	13.3
311.20016	5.9
311.23468	2.8
325.21454	3.6
327.23199	26.3
335.23694	5.5
353.24713	3.4
368.27094	4.0
393.24057	2.3
407.29639	7.0
411.25323	4.9
413.28333	5.0
421.31000	6.6
431.25131	2.3
431.29709	24.2
449.30563	40.7
450.31091	4.4
467.31607	100.0
468.31949	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3157
Annotation	Stellettin K
Peak:m/z	Relative Intensity
51.05332	3.6
55.05513	18.7
59.01957	4.1
63.26143	3.9
66.69705	3.8
67.05524	25.0
69.07063	17.8
69.14436	19.5
69.14866	12.9
70.90549	4.2
72.18343	4.1
79.05491	24.7
81.07062	37.2
83.04992	17.1
83.08628	7.4
85.02924	4.7
90.74394	3.9
91.05482	31.0
93.07039	47.7
95.04948	9.0
95.08611	100.0
97.06538	7.5
97.10168	3.9
99.04443	5.8
103.05450	4.4
105.07030	50.9
107.08599	49.8
109.06540	4.1
109.10152	20.9
111.04466	4.7
111.08072	6.9
117.07018	18.3
119.08586	70.1
121.06513	6.5
121.10140	38.9
123.08089	9.4
123.11720	7.7
125.09652	6.6
128.06227	9.4
128.89667	3.9
129.07021	12.1
131.08542	39.4
133.10132	53.3
135.08047	6.4
135.11713	19.9
137.06050	4.4
137.09647	4.5
139.07545	6.1
141.09088	9.7
142.07745	10.0
143.08531	35.2
143.59673	4.0
144.09302	6.4
145.10117	56.3
147.08060	7.9
147.11705	31.7
149.02419	6.6
149.09712	4.8
149.13287	5.8
153.09221	4.1
155.08577	10.6
156.09442	4.5
157.10121	34.4
158.10942	6.0
159.08084	16.2
159.11665	43.3
161.09656	22.4
161.13277	12.1
163.11189	5.8
167.08598	6.1
169.10106	19.8
171.11673	34.5
172.12292	5.1
173.09647	25.3
173.13277	38.8
175.11151	8.5
175.14886	11.3
177.09117	5.6
179.10670	5.1
181.10184	4.8
181.12218	4.8
182.10956	5.0
183.11734	16.7
185.09541	6.4
185.13203	30.4
187.11232	17.3
187.14857	26.3
189.12726	8.9
191.10738	5.2
193.05020	6.0
193.10153	4.7
195.11781	6.7
195.13753	5.9
197.13281	22.3
199.14815	19.7
201.12769	10.6
201.16464	5.8
203.14333	7.7
205.12299	4.7
209.13351	8.0
211.11237	5.2
211.14899	12.6
213.12747	8.3
213.16385	9.4
215.14313	24.6
217.15953	6.9
219.13834	10.9
221.13333	5.6
221.15393	10.0
223.14801	6.6
225.16414	12.4
227.14259	8.8
227.17969	5.3
229.12312	4.7
229.15936	13.6
231.13849	12.0
231.17403	4.7
233.15414	31.6
235.14793	4.5
235.16957	11.7
237.16486	6.2
241.16061	5.4
245.15392	11.4
247.16972	26.1
249.16138	7.5
253.19658	4.4
257.15466	4.4
259.17010	7.4
267.17377	9.8
271.17181	4.1
285.18402	5.2
294.50690	4.5
309.18744	4.1
309.22180	12.3
325.21597	6.1
327.23209	25.7
335.23627	5.4
353.24649	4.3
368.27170	4.7
413.28622	8.5
421.31070	11.6
426.26578	4.6
431.29453	26.4
449.30518	31.3
467.31668	62.4
468.31985	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3159
Annotation	Stellettin K
Peak:m/z	Relative Intensity
55.05511	18.2
57.07072	8.3
65.03955	3.9
67.05503	33.0
69.07069	19.3
69.82066	4.1
71.08627	4.6
79.05495	13.2
81.07056	33.7
83.04983	17.0
83.08620	10.4
85.06546	3.3
89.06002	3.3
89.26295	3.0
91.05479	19.7
93.07046	39.3
95.04960	4.7
95.08612	56.7
97.06526	4.9
99.04444	3.1
105.07036	36.3
107.08591	28.3
109.06515	5.2
109.10169	33.8
111.04445	5.2
111.08092	10.8
117.07025	11.4
119.08592	35.1
121.06545	4.7
121.10133	26.6
123.08064	9.7
123.11731	5.0
128.06186	4.0
129.06999	8.8
131.08589	25.7
133.08635	3.9
133.10115	20.2
135.08081	3.5
135.11705	11.4
139.07547	7.3
141.09149	3.4
142.07785	9.6
143.08551	30.1
144.09267	3.2
145.10130	35.4
147.08083	6.3
147.11714	17.5
155.08578	14.4
156.09338	6.8
157.10135	51.8
158.10953	4.4
159.08073	2.9
159.11702	35.6
161.09650	10.5
161.13304	7.6
163.11226	6.9
164.41757	3.0
167.08641	3.1
169.10129	25.2
170.10878	3.7
171.11688	38.7
173.09586	4.5
173.11949	6.6
173.13297	17.6
175.11258	8.0
179.10751	3.5
181.10130	7.8
181.12227	4.2
182.10925	3.6
183.11702	27.8
184.12469	4.1
185.09639	4.0
185.13268	24.3
187.11224	5.8
187.14885	5.7
189.12770	6.1
191.14066	2.7
193.10045	5.3
195.11732	13.4
197.09656	6.1
197.13284	21.6
199.11206	7.0
199.14923	13.7
201.12683	4.1
201.16576	4.8
205.12201	7.5
207.11714	6.6
209.13280	10.9
211.11229	7.3
211.14778	14.7
212.12134	3.0
213.12715	7.1
213.16354	9.4
217.15781	3.2
219.13675	3.8
221.13242	8.1
223.11372	4.2
223.14813	9.7
225.12788	5.2
225.16313	9.7
227.14264	5.1
229.12175	4.9
229.15868	3.2
231.13763	7.4
233.15414	6.2
235.14838	8.2
237.16319	6.3
239.14308	4.1
239.17961	6.0
241.15817	3.8
243.17551	3.6
245.15350	3.9
247.14673	3.8
247.16954	6.9
249.16345	6.3
251.14319	4.8
251.17975	4.7
253.15897	7.4
253.19600	4.6
255.17545	7.0
265.16104	4.2
271.16937	8.7
271.19907	2.8
273.18469	5.8
279.17603	4.1
281.19312	3.3
283.17062	3.3
284.17636	3.1
285.18396	6.8
287.20255	7.0
289.21869	5.3
291.21066	5.9
293.19232	5.0
293.22522	3.9
299.20023	7.1
309.22217	14.1
311.20050	7.2
327.23242	29.6
335.23666	6.0
353.24756	4.3
389.24930	3.8
407.29523	10.0
411.25287	3.7
413.28363	7.0
421.30856	8.5
431.29340	28.6
449.30548	52.3
450.30878	5.2
453.62921	3.3
467.31561	100.0
467.37332	7.6
468.31879	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3156
Annotation	Stellettin K
Peak:m/z	Relative Intensity
51.22977	3.4
53.03934	4.3
55.01842	4.4
55.05512	26.5
57.07064	4.5
67.05517	32.6
68.80950	4.0
69.07078	24.4
69.58978	15.1
70.26964	3.2
73.06577	3.0
79.05491	23.1
81.07056	40.8
83.04975	20.1
83.08611	8.6
85.06564	4.0
88.92469	3.4
91.05475	29.6
93.07041	48.3
95.04985	8.6
95.08603	74.1
97.06508	10.0
97.10179	4.6
105.07021	57.4
107.08591	43.3
109.06533	4.1
109.10151	22.1
111.04461	8.6
111.08090	10.2
111.20473	3.4
113.06003	5.1
117.06984	16.2
119.08577	53.4
121.06506	8.6
121.10136	39.3
123.08080	16.4
123.11687	6.7
125.16138	3.4
128.06213	5.1
129.06990	13.2
130.07748	4.1
131.08578	35.5
133.06421	3.2
133.10117	33.6
135.07985	7.0
135.11697	13.7
137.09682	6.4
139.07555	6.6
141.07074	4.0
141.09152	4.9
142.07771	10.7
143.08569	35.5
144.09265	8.3
145.10127	48.5
147.08072	12.3
147.11722	23.3
149.13286	8.0
155.08565	14.5
156.09354	12.5
157.10118	58.7
158.10806	4.5
159.08041	7.5
159.11728	49.5
161.09610	22.9
161.13315	20.4
163.11195	9.5
165.12854	4.4
167.08588	7.9
168.09268	3.8
169.10114	30.9
170.10828	4.9
171.11688	46.8
173.09622	11.1
173.13264	31.8
175.11235	8.6
175.14922	5.5
181.10110	7.3
181.12347	6.4
182.10951	6.1
183.11728	31.3
184.12373	5.7
185.09627	11.5
185.13240	31.2
185.27539	3.4
185.59961	4.0
187.11198	12.0
187.14810	16.0
189.12761	9.3
191.10648	6.5
193.10139	6.7
194.10822	4.0
195.11707	10.3
197.09708	3.6
197.13258	26.9
198.13896	5.3
199.11154	8.7
199.14870	11.9
201.12694	8.4
201.16348	5.1
205.12230	5.9
207.11752	7.8
209.13266	14.4
211.11172	12.2
211.14793	17.0
213.12723	10.7
213.16405	10.2
215.14308	10.3
217.12354	5.3
217.15912	5.2
219.13834	8.6
221.13278	7.2
221.15327	4.0
222.13918	3.8
223.11174	5.4
223.14786	15.1
225.12773	7.8
225.16400	11.0
226.16922	4.2
227.14314	8.8
229.12305	6.2
229.15903	4.5
231.13855	5.2
233.13225	7.5
233.15446	12.4
235.14706	6.5
237.12733	12.8
237.16415	9.4
238.16914	3.4
239.14296	8.5
239.17827	5.3
243.13844	7.1
245.15302	4.7
247.16980	15.1
249.16321	6.1
251.14362	5.5
251.17950	6.7
253.15884	8.7
253.19415	3.6
255.13760	3.7
255.17584	9.8
257.15390	6.9
259.16852	4.4
263.17996	4.5
265.15811	5.4
265.19229	3.9
267.17358	4.6
267.21082	3.7
271.16876	11.3
273.18460	7.2
281.19302	3.2
289.21643	5.4
291.17490	4.9
291.21072	9.9
293.18942	4.9
295.16907	4.0
299.20056	6.8
309.18951	5.2
309.21988	16.0
311.20401	4.3
313.21472	4.5
317.18991	5.6
319.24246	4.2
325.21408	5.6
327.23190	31.0
335.23724	8.5
368.27112	7.2
389.24619	5.1
403.30103	6.8
407.29443	14.3
411.25006	6.4
413.28552	7.0
421.30835	11.4
431.24387	4.0
431.29861	35.4
449.25464	9.2
449.31424	57.9
450.31299	8.3
467.31964	100.0
468.31882	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3159
Annotation	Stellettin K
Peak:m/z	Relative Intensity
55.05532	21.6
57.07076	30.9
60.91120	24.9
67.05508	79.1
70.55667	52.3
79.05510	28.8
81.07034	52.7
81.22851	22.3
83.04986	33.0
88.50733	28.8
89.06039	46.0
91.05473	40.1
93.07069	52.0
95.08614	52.2
105.06997	44.0
107.08604	37.6
109.10138	58.8
119.08573	50.4
133.10120	34.9
139.07611	28.3
145.10123	48.1
147.11668	25.6
153.12173	24.0
159.11748	49.3
159.37161	24.1
168.18141	23.1
169.10127	25.4
171.11694	24.7
182.52205	21.4
184.86848	21.2
185.13287	41.0
209.13326	31.2
214.13689	24.4
217.23924	27.1
262.80515	24.6
321.30280	27.5
401.11545	25.6
407.29526	51.9
431.29327	40.5
449.30481	100.0
467.31384	59.0
467.37277	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.316
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.03939	6.3
55.01869	7.9
55.05509	29.9
57.07080	22.4
67.05508	96.2
68.77039	5.0
69.07073	22.7
71.08639	14.9
77.22676	6.4
79.05496	22.7
81.07059	50.1
83.04984	23.2
83.08624	16.4
85.06551	10.1
85.10187	10.3
89.06030	10.4
91.05488	40.6
93.07044	49.5
95.04993	9.5
95.08613	100.0
97.10177	5.4
99.04415	5.9
105.07030	59.8
107.08604	49.1
109.06488	7.2
109.10161	60.5
110.10512	5.3
111.04466	10.1
111.08059	13.6
115.05557	4.9
117.07063	10.6
119.08594	56.9
121.06490	6.4
121.10181	27.8
123.08088	16.4
129.06993	8.5
131.08574	39.3
133.08623	6.9
133.10144	48.7
135.11685	12.8
141.09081	6.0
142.07826	9.1
143.08571	37.2
145.10114	52.3
147.08086	13.1
147.11691	27.2
155.08577	6.7
156.09279	8.1
157.10133	56.3
159.08118	10.1
159.11667	41.1
161.09610	15.4
161.13274	15.7
169.10127	25.7
170.10867	6.0
171.11682	31.4
173.09639	16.4
173.11838	11.5
173.13293	28.9
175.11214	7.4
175.14780	7.4
181.10161	7.7
183.11670	33.3
184.12262	6.6
185.09656	8.7
185.13275	20.7
187.11215	15.0
187.14876	15.5
189.12732	10.0
189.16399	6.6
193.10103	6.2
195.11723	12.5
197.13301	23.0
199.11234	5.3
199.14819	18.6
201.12772	16.0
205.12369	6.7
207.11562	7.5
209.13380	6.0
211.11182	6.9
211.14804	19.0
213.12758	9.1
213.16307	6.2
215.14316	21.2
223.06752	7.1
223.14868	9.7
225.12643	7.4
225.16394	14.7
227.14305	8.0
229.15738	15.2
231.13818	8.3
233.15370	18.1
235.14755	7.2
235.17032	12.2
237.16420	8.4
239.14366	7.1
241.15694	6.2
245.15318	14.6
247.17056	15.7
249.16208	6.2
253.15822	6.7
265.16055	8.4
281.18793	6.1
283.17255	10.4
285.18433	9.0
291.21109	6.4
309.22247	11.8
325.21613	11.4
327.23172	27.1
407.29749	11.8
408.53726	5.4
421.31100	8.7
431.29581	37.2
449.30673	53.2
467.31357	52.8
467.37311	35.6
484.67508	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3158
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.03947	2.3
55.05516	5.6
57.07056	1.3
59.04988	1.0
65.03933	2.0
67.05506	15.8
69.03419	2.7
69.07070	5.2
70.11646	3.6
70.11987	1.1
71.04985	1.2
77.03914	1.2
79.05491	7.9
80.94857	1.7
81.07064	15.3
83.04963	1.4
83.08629	2.0
85.06551	1.8
91.05486	12.7
93.07040	24.5
93.07616	1.3
95.04973	5.8
95.08612	34.4
97.06541	3.4
98.22633	1.3
99.08096	1.4
103.05463	1.7
105.07037	22.4
107.08601	22.7
108.05696	1.1
109.06541	6.5
109.10155	13.0
111.08091	5.3
111.88678	1.1
115.05514	1.6
117.07042	5.9
119.05017	1.6
119.08583	31.5
121.06493	8.1
121.10149	19.3
123.08074	19.2
123.11700	4.8
125.09642	5.9
128.06239	2.4
129.06985	5.0
130.07819	3.1
131.08575	9.9
133.10129	25.2
135.08028	8.2
135.11707	6.7
137.09630	4.3
139.07542	2.5
139.11227	1.2
141.07043	1.6
142.07785	3.2
143.08543	8.0
144.09320	2.6
145.06441	1.3
145.10123	28.0
147.08069	5.9
147.11682	10.0
148.33852	1.1
149.09630	8.2
149.13275	3.1
151.07550	1.3
151.11180	4.8
155.08545	5.4
156.09315	4.4
157.10152	16.6
158.07239	2.0
159.08061	5.0
159.11708	15.5
161.09631	6.5
161.13243	7.1
163.11224	8.1
163.14897	1.2
165.12775	5.6
168.09315	1.5
169.10135	7.8
170.10954	2.1
171.08067	1.8
171.11705	12.9
173.09616	15.3
173.13297	9.5
174.10277	1.5
175.07605	1.7
175.11189	5.5
175.14827	3.1
177.12733	3.2
181.10110	2.8
183.11694	9.6
184.12462	1.3
185.09677	2.1
185.13304	10.5
187.11189	8.0
187.14833	3.8
189.12738	13.9
189.16388	1.7
191.10681	2.4
191.14272	3.8
193.10103	1.4
193.12224	1.2
195.11710	4.2
197.13258	9.6
199.11240	2.9
199.14832	7.2
201.12747	6.1
201.16385	2.0
203.14328	3.8
207.11775	1.7
207.13916	1.4
209.13257	5.1
210.14079	1.7
211.14818	4.2
213.12755	3.6
213.16406	3.2
215.14342	4.0
217.15851	2.9
221.13293	2.8
223.14809	5.4
225.12787	2.3
225.16396	3.1
227.17964	3.4
229.15875	2.0
237.16376	2.7
239.17899	2.4
241.15820	2.4
243.17508	3.3
245.18929	2.2
251.18004	3.1
253.19545	2.0
255.17448	2.1
257.19012	4.9
259.20618	2.2
265.19653	2.5
266.20200	1.3
269.18988	2.7
271.20499	6.9
272.41260	1.2
273.18570	1.6
277.15845	1.4
279.17374	5.6
281.22583	1.4
283.20529	17.0
285.18518	2.3
287.20145	2.5
293.19043	2.5
297.18509	3.1
297.22083	3.4
299.23578	2.8
307.20505	4.5
309.22150	2.8
311.20233	2.5
311.23734	4.4
321.22107	2.1
325.21664	5.6
327.23132	3.4
335.23538	2.6
339.23160	2.6
353.24738	6.9
389.28333	13.7
403.30182	1.3
407.29535	18.7
408.29742	2.1
413.28372	2.1
421.30786	3.9
425.30606	1.7
431.29474	20.1
432.29938	2.0
438.97037	1.2
449.30515	100.0
450.30869	9.6
467.31656	26.9
468.31970	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	11.2
57.07084	2.5
65.03907	2.5
67.05510	20.6
69.07072	12.5
69.10777	13.4
69.11195	7.7
69.34589	2.6
79.05500	11.6
81.07049	19.1
83.04975	8.0
83.08621	9.4
91.05490	15.7
93.07047	35.9
95.04969	3.9
95.08604	48.8
97.06516	7.0
98.22622	5.5
105.07031	41.5
107.08591	27.2
107.14995	2.4
109.06493	4.9
109.10149	21.5
111.04454	7.7
111.08089	8.0
115.05449	2.5
117.07024	10.5
119.08581	35.5
121.06533	3.9
121.10136	26.0
123.08092	11.7
123.11757	8.0
127.72172	2.4
128.06268	5.8
129.07010	9.4
130.28899	2.3
131.08586	23.8
133.10132	19.5
135.08112	5.7
135.11693	9.4
139.07571	4.2
139.11180	2.4
141.07066	4.3
141.09084	3.6
142.07785	8.1
143.08551	26.2
144.09189	3.3
145.10124	34.4
147.08058	6.4
147.11720	10.6
149.09612	3.2
149.13283	2.8
155.08589	15.3
156.09360	9.1
157.10123	41.0
159.08031	4.4
159.11685	37.9
161.09596	11.2
161.13280	8.6
163.11198	4.1
169.10120	28.5
170.10928	3.9
171.08070	2.6
171.11696	39.0
173.09625	4.6
173.13268	11.7
175.11238	5.1
179.08597	3.9
179.10632	3.3
179.14371	2.5
181.10164	8.2
181.12251	3.1
182.10991	3.0
183.11661	24.9
185.09711	6.6
185.13271	16.3
187.11214	5.4
187.14838	8.0
189.12752	5.8
191.10760	2.4
193.10092	5.5
194.10884	4.2
195.11722	11.1
196.12584	2.9
197.09570	3.2
197.13261	19.6
199.11232	7.3
199.14853	9.5
200.15433	2.8
201.12766	6.5
201.16383	2.7
205.12305	3.9
207.11734	8.8
207.13664	3.4
209.13286	13.4
211.11232	6.4
211.14827	17.3
212.11967	2.9
213.12810	8.6
213.16415	8.4
215.10666	3.1
215.14357	3.5
217.12276	5.4
221.13298	9.7
223.11255	3.3
223.14864	6.5
225.12779	7.3
225.16389	5.7
227.14330	6.4
229.12225	4.1
231.13821	3.8
233.13159	2.7
233.15424	4.3
235.14880	5.4
237.12604	2.6
237.16473	7.3
239.14421	3.6
239.18021	3.8
240.18701	2.8
241.12129	3.0
241.15926	2.9
243.13860	4.1
243.17471	3.1
245.15306	3.8
247.17010	7.7
249.16429	4.8
250.13594	2.6
251.18024	2.6
253.15924	5.6
255.17438	4.5
257.15564	3.8
261.18732	5.3
263.14276	2.5
263.17874	4.3
265.15948	4.9
267.21103	5.3
269.15741	2.9
269.19061	3.5
270.19403	3.2
271.16931	9.6
273.18582	7.7
281.19086	3.9
281.22485	2.4
283.16928	5.6
285.18439	6.5
287.19962	6.6
289.21799	4.3
291.17661	3.2
291.21155	5.0
299.20078	6.2
309.18835	4.3
309.22183	13.2
325.21570	4.2
326.22440	2.9
327.23212	28.9
328.02988	2.5
335.23648	3.9
353.24969	3.3
367.25916	2.6
368.27209	4.5
375.22873	2.7
403.25693	2.7
407.29648	5.6
411.25473	5.4
413.28738	5.0
421.31161	5.1
431.24918	6.8
431.29410	17.6
449.31046	36.9
467.31564	100.0
468.31772	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.8
55.01886	5.1
55.05514	23.4
57.03440	4.0
57.07100	4.5
67.05511	41.0
69.03424	8.0
69.07073	24.1
69.11284	32.6
71.04994	6.9
79.05489	33.5
81.07060	75.2
83.04984	28.2
83.08597	8.7
84.76602	3.8
85.06531	4.7
91.05482	44.6
93.07049	67.2
95.04977	11.4
95.08611	100.0
97.06553	7.8
103.05516	4.5
105.03374	6.5
105.07037	85.0
105.17658	4.2
107.08599	78.9
109.02893	11.3
109.06513	20.7
109.10156	35.9
111.04460	10.9
111.08076	11.1
115.05495	7.2
117.07013	23.3
118.64165	4.0
119.08588	96.1
121.06528	12.9
121.10157	58.3
123.08069	11.7
123.11713	13.1
126.52523	4.0
128.06226	9.6
129.07016	13.0
131.08554	53.1
133.10139	64.8
135.08049	25.2
135.11700	24.0
137.05972	25.7
137.09639	4.9
137.13243	8.7
139.07558	10.8
141.06914	8.0
142.07771	12.2
143.08560	48.9
144.09322	6.4
145.10129	71.8
147.08015	26.1
147.11682	45.4
149.02333	10.7
149.09615	12.2
149.13295	8.3
153.09090	8.5
155.07152	7.1
155.08575	19.1
156.09351	12.8
157.10114	55.5
158.10872	8.6
159.08073	18.3
159.11694	48.9
161.09631	27.2
161.13290	26.6
163.07585	5.5
163.11169	12.8
163.14833	7.5
165.09186	5.5
167.08563	6.5
168.09378	5.4
169.10126	35.1
170.10861	7.3
171.08159	5.2
171.11714	36.8
173.09625	20.4
173.13255	32.4
175.11192	23.1
175.14845	17.8
177.09116	6.7
177.12830	6.9
180.09406	4.3
181.10104	11.7
181.12169	9.4
182.10965	7.4
183.11751	23.0
185.09636	13.3
185.13283	35.8
187.11191	13.6
187.14848	25.0
189.12741	17.6
189.16426	9.6
191.10704	5.4
191.14334	9.8
193.04929	7.2
193.10187	7.8
195.11803	10.2
197.13268	25.3
199.11176	12.2
199.14832	29.0
201.12723	19.9
201.16383	15.8
203.14374	11.9
205.15851	6.0
207.11743	7.2
209.13246	13.7
209.15250	5.2
211.11223	8.8
211.14827	16.8
213.12752	15.3
213.16336	21.3
215.14334	16.4
217.12282	6.0
217.15927	17.0
219.13875	16.0
219.17365	7.2
221.13371	6.2
221.15396	7.4
223.14806	8.7
225.12738	10.3
225.16403	10.9
227.14355	10.2
229.12260	5.7
229.15918	13.5
231.13788	18.9
231.17471	10.1
233.13344	5.5
233.15433	14.6
235.14900	5.2
235.16992	6.9
237.07584	8.0
237.12779	7.4
237.16371	8.5
239.14235	11.0
243.13828	13.6
243.17564	4.1
245.15416	17.4
247.16968	11.0
249.18436	4.5
253.15991	4.9
253.19525	6.5
257.15408	7.8
257.26505	5.8
259.16992	7.8
273.18497	6.2
291.20831	5.7
293.22653	15.0
295.24203	8.2
309.22153	5.8
311.20139	7.9
311.23691	24.4
313.25299	6.9
325.21603	7.1
327.23038	10.8
335.23517	5.4
368.27045	7.7
389.24652	9.3
407.25720	6.8
413.28400	8.2
421.30942	14.0
431.29651	41.5
449.30676	56.2
450.31006	11.0
467.32077	85.7
468.31915	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.3
53.03935	3.4
55.01866	3.1
55.05240	1.5
55.05511	28.7
56.05860	1.2
57.03427	1.1
57.07074	2.4
60.69956	1.1
65.03945	2.5
67.05170	2.0
67.05502	21.5
69.03432	3.3
69.07066	16.5
69.09825	8.6
71.04999	2.4
73.06565	1.1
77.03905	1.3
79.05491	14.7
81.07054	25.5
83.04981	27.4
83.08607	7.8
85.02901	1.3
85.06532	1.9
91.05477	21.6
93.07044	37.4
95.04964	5.8
95.08601	55.7
95.91736	1.0
97.06531	4.4
97.10169	1.6
98.22563	2.1
99.04447	2.8
99.82794	1.0
103.05464	1.4
105.07024	40.3
107.04962	1.6
107.08591	32.9
109.06515	6.7
109.10150	22.2
111.04465	4.8
111.08080	9.0
113.06008	2.6
115.05433	2.4
117.07029	10.8
119.08575	39.4
121.06519	7.0
121.10139	29.5
123.08084	12.5
123.11721	6.5
125.09620	2.6
128.06233	5.5
129.07011	11.5
130.07790	2.6
131.08563	28.6
131.09500	2.1
132.08931	1.8
133.06456	2.6
133.10123	27.5
133.11053	2.0
135.08034	6.6
135.11697	11.1
137.05998	1.7
137.09550	2.3
137.79492	1.1
139.07500	5.8
141.06967	6.4
141.09122	4.1
142.07758	7.6
143.08556	30.0
144.09343	4.5
145.06519	3.8
145.10117	42.2
147.08087	7.8
147.11676	17.2
149.09647	3.8
149.13290	4.4
151.11191	2.6
154.07741	1.6
155.08551	20.0
156.09332	8.1
157.10124	47.3
158.10791	2.3
159.08084	4.5
159.11682	42.4
160.08897	1.5
160.12099	2.6
161.09612	14.1
161.13226	8.8
163.07561	1.6
163.11180	5.8
163.14938	1.3
165.06987	1.7
165.09071	1.7
165.12814	1.5
166.07875	2.1
167.08566	4.0
167.10696	1.6
168.09355	2.8
169.10132	24.5
170.10837	5.1
171.08119	2.7
171.11688	39.8
172.08855	1.3
172.12227	2.7
173.09589	5.6
173.13237	12.7
174.10512	1.2
175.11186	6.1
175.14864	3.4
177.09135	2.4
179.08618	1.7
179.10710	4.2
180.09262	1.3
181.10150	7.9
181.12212	6.7
182.10852	3.3
183.08070	2.6
183.11685	23.9
184.12424	4.0
185.09613	6.8
185.13251	19.6
186.10304	1.6
186.13783	1.8
187.11201	7.3
187.14807	8.0
189.12741	6.8
191.10690	1.8
191.14345	1.7
193.10178	4.8
193.12190	2.0
194.10817	2.4
195.11731	12.2
196.12486	3.5
197.09644	4.7
197.13263	18.1
198.13768	3.3
199.11176	8.4
199.14792	10.6
200.15367	1.3
201.12700	7.9
201.16360	4.0
203.14317	2.4
205.10419	2.1
205.12270	7.4
207.11719	6.1
207.13799	2.6
208.12498	2.4
209.09753	1.7
209.13272	12.5
210.13885	1.8
211.11270	6.2
211.14809	16.9
213.12753	6.2
213.16354	7.9
215.10754	4.1
215.14365	4.7
217.12228	6.2
219.11855	1.9
219.13834	4.1
221.13298	5.9
221.15308	2.5
223.11223	3.2
223.14767	8.5
224.12131	1.5
224.15582	1.3
225.12788	7.1
225.16383	8.3
227.14354	6.3
227.18037	4.0
229.12270	3.6
229.15912	3.9
231.13802	4.9
233.13217	3.3
233.15424	6.6
235.11299	2.0
235.14815	5.2
237.12726	3.1
237.16385	5.8
239.14342	4.5
239.17897	6.0
241.15929	4.8
241.19464	1.8
243.13779	3.3
243.17529	4.3
245.15402	6.2
247.16982	7.1
249.12849	1.8
249.16437	3.3
251.14302	4.4
251.17969	4.0
253.15857	6.8
253.19545	4.5
255.13681	2.1
255.17455	5.1
257.15430	4.8
259.17087	2.2
261.16208	1.9
261.18549	3.7
263.14447	1.6
263.17935	3.8
265.15997	2.8
265.19611	3.9
267.17499	3.6
267.21011	5.5
269.15326	1.8
269.18964	4.6
271.16998	9.1
271.20193	2.4
273.18417	6.6
275.17923	1.4
277.19595	2.1
279.17401	2.9
281.18958	4.2
281.22452	1.5
283.17029	3.9
284.17804	1.5
285.18463	4.5
287.20215	7.1
289.21671	4.0
291.17484	2.4
291.21066	5.5
293.19150	2.5
293.22754	1.3
295.20526	2.0
295.24069	2.0
297.18579	3.2
299.20032	9.1
307.20612	4.1
309.18585	2.9
309.22174	11.8
309.25391	1.6
311.20071	4.8
311.23553	2.1
313.21530	1.5
319.20398	1.6
321.22128	2.2
325.21622	3.5
326.22647	1.8
327.23157	24.6
328.23785	3.6
329.24722	3.0
332.21057	1.2
333.21808	1.5
335.23727	3.3
337.06888	1.4
339.23148	2.2
347.24069	1.7
351.23053	2.5
353.24921	2.2
365.24979	1.6
367.11536	2.1
367.26468	1.9
368.27225	4.2
375.23053	2.6
389.24850	2.4
403.30048	2.8
405.28128	1.7
407.24799	1.4
407.30008	7.8
409.23917	1.6
411.25305	6.0
413.28470	4.5
414.28302	1.3
421.31244	6.9
431.29767	24.4
449.30719	38.7
450.30862	4.6
467.31580	100.0
468.31952	11.5
482.67337	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3162
Annotation	Stellettin K
Peak:m/z	Relative Intensity
50.47945	0.9
51.02392	1.2
53.03942	4.0
55.05513	65.1
55.10731	0.9
56.05846	2.5
57.03419	1.5
57.07079	2.5
59.56042	1.1
60.98608	0.9
65.03949	2.5
66.16199	0.9
67.05170	1.8
67.05506	23.5
69.03417	2.2
69.07071	15.3
69.65730	5.2
71.04992	3.2
79.05492	13.1
81.06584	1.4
81.07057	23.1
83.04984	100.0
83.08649	6.1
84.05315	2.2
85.06542	2.3
86.20353	1.1
91.05479	18.4
93.07047	34.4
95.04976	6.5
95.08608	49.4
96.08972	1.2
97.06535	5.5
97.10174	2.8
99.04449	2.5
103.05472	4.2
105.07034	34.9
107.08602	32.1
108.08947	1.3
109.06508	5.2
109.10156	19.2
111.04462	6.7
111.08079	10.6
111.11746	1.7
113.06012	2.0
115.05460	2.7
115.07558	1.1
117.07032	9.4
119.08587	36.9
121.06514	5.4
121.10154	26.7
122.10468	1.3
123.08070	11.1
123.11709	5.4
125.05981	1.4
125.09652	1.7
127.07552	1.2
128.06213	4.4
129.07008	8.9
130.07750	1.7
131.04921	3.2
131.08578	21.0
133.06506	2.3
133.10127	26.2
135.08070	3.8
135.11708	11.7
137.09641	2.0
137.13261	2.2
139.07571	6.4
141.06090	1.2
141.06902	5.0
141.09116	3.5
142.07785	8.2
143.08551	25.5
144.09311	3.9
145.06519	1.6
145.10129	39.0
147.08040	6.4
147.11678	17.1
149.09628	4.2
149.13237	5.7
151.07582	1.0
151.11217	2.5
153.07024	1.3
153.09074	1.5
154.07764	1.7
155.08545	12.9
156.09352	7.1
157.10132	45.4
158.10797	2.5
159.08086	4.1
159.11707	35.0
160.08887	1.1
160.12128	2.1
161.09625	10.7
161.13277	9.5
163.11179	6.6
163.14897	1.1
165.07021	1.7
165.09198	1.6
165.12758	1.8
167.08585	4.1
167.10692	1.8
168.09338	2.3
169.10138	21.9
170.10843	4.5
171.08092	3.3
171.11696	34.2
172.12325	2.3
173.09604	8.0
173.13249	20.2
173.14607	1.8
173.69640	1.0
174.13788	1.5
175.11258	7.3
175.14870	4.0
177.09073	2.4
179.08569	2.1
179.10670	4.8
180.09322	1.8
181.10143	6.6
181.12241	2.9
182.10950	2.9
183.11707	23.8
184.08951	1.1
184.12372	4.2
185.09676	5.1
185.13264	19.1
187.11205	8.1
187.14848	10.0
189.12712	6.3
189.16431	2.0
191.10684	3.1
191.14314	1.6
192.09378	2.2
193.10118	4.0
193.12201	1.7
194.10851	1.1
195.11719	9.9
196.12419	3.6
197.09682	4.2
197.13255	16.3
198.10304	1.2
198.13991	3.4
199.11131	7.3
199.14810	12.4
200.15498	1.6
201.12738	6.8
201.16371	3.2
203.10680	1.5
203.14377	2.0
205.10431	1.6
205.12225	5.4
206.10970	1.1
207.11729	4.9
207.13824	2.9
208.12489	2.3
209.09648	1.5
209.13287	11.6
210.13956	2.0
211.11215	4.7
211.14821	16.2
212.15546	1.4
213.12767	7.1
213.16315	7.7
214.16933	1.9
215.10605	1.6
215.14273	6.2
217.12227	5.7
217.15916	1.6
219.11856	2.1
219.13837	4.6
221.13274	5.7
221.15305	1.8
223.11302	1.8
223.14760	8.0
224.15413	1.4
225.12802	5.3
225.16368	8.9
227.14302	4.3
227.18004	2.9
229.12268	2.3
229.15901	3.2
231.13861	5.9
233.13266	2.2
233.15443	6.8
235.14905	6.1
235.16931	1.4
236.15359	1.8
237.12770	1.6
237.16386	5.5
238.17012	1.4
239.14334	4.2
239.18008	4.9
240.18625	1.1
241.15849	4.2
241.19443	1.6
242.12784	1.2
243.13863	5.0
243.17534	4.0
245.15356	3.3
247.14780	1.9
247.16978	6.0
249.12628	1.3
249.16455	3.3
251.14447	2.6
251.17900	3.2
253.15924	7.1
253.19534	4.3
255.13705	1.6
255.17435	4.5
257.15326	3.6
257.19122	1.4
259.17020	2.8
261.16251	2.1
261.18637	3.0
262.17447	1.2
263.14355	1.2
263.17953	3.4
265.15887	2.4
265.19543	3.6
267.17438	4.5
267.21173	4.2
269.15509	1.4
269.19101	3.3
271.16946	8.8
271.19843	1.6
272.17841	1.1
273.18524	7.5
275.20364	2.1
277.08356	1.2
277.15866	1.1
279.17456	3.6
279.20874	2.1
281.15567	1.2
281.19077	3.6
281.22696	3.6
283.17120	2.0
283.20688	1.4
284.17755	1.1
285.18549	3.9
287.20129	6.7
289.08524	1.2
289.21634	3.8
291.06653	2.1
291.20993	4.9
292.07364	1.2
293.19321	2.3
293.22412	1.8
294.05334	1.3
295.20694	2.3
295.24216	2.6
297.18579	1.6
299.20081	5.4
307.09790	2.9
307.20566	4.2
308.10553	1.6
309.07550	2.1
309.18625	1.6
309.22049	10.7
311.19995	5.2
313.07263	1.5
313.21722	1.8
317.22214	1.8
321.07315	1.6
321.22122	1.5
325.21506	3.1
326.22482	2.1
327.23196	20.9
328.09415	2.5
328.23907	2.6
335.09195	2.4
335.23749	5.9
337.07089	4.6
339.23315	1.7
347.23572	1.6
349.25290	1.3
351.18869	1.1
351.23090	2.0
352.09543	5.2
353.10388	1.8
353.24811	2.8
363.12421	3.1
367.11740	13.7
367.26440	1.7
368.27136	7.0
375.22940	1.8
379.11832	4.5
385.12881	2.7
385.24252	1.4
389.24411	1.4
393.23999	1.3
403.30096	3.1
406.11734	1.4
407.25024	2.3
407.29791	12.0
408.29623	1.4
411.25220	5.1
413.28360	5.2
421.14432	1.6
421.31253	8.7
431.29477	35.5
432.29730	3.8
435.15231	2.9
449.30502	49.2
450.30914	6.0
453.17194	2.2
467.18491	13.9
467.31558	85.9
468.19086	4.8
468.32010	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30744	4.3
53.03936	5.9
55.01870	6.3
55.05510	48.9
57.07076	5.3
63.35310	3.4
65.03940	5.2
67.05504	46.1
69.03426	5.3
69.07079	36.6
69.54888	22.0
71.04980	3.6
79.05499	23.3
81.07062	47.0
83.04990	40.8
83.08617	15.2
85.06531	8.0
85.80479	3.4
91.05482	33.9
93.07051	60.1
95.04977	9.2
95.08609	100.0
97.06529	10.2
97.10150	3.6
99.04450	12.2
101.06020	10.7
105.06372	5.8
105.07032	65.5
107.08599	55.8
109.06506	11.1
109.10164	29.5
111.04448	10.7
111.08104	19.6
113.06004	3.5
115.05457	4.0
117.07013	12.4
119.08575	74.3
121.06509	10.2
121.10138	37.7
123.08067	24.5
123.11723	9.0
125.09679	4.1
128.06186	5.9
129.06998	15.4
130.07767	4.6
131.08589	39.3
132.60426	3.5
133.06506	6.5
133.10130	46.1
135.08104	9.2
135.11713	18.5
137.09645	6.4
139.07541	6.8
141.06987	10.5
142.07808	11.4
143.08566	44.7
144.09256	6.1
145.10126	62.4
147.08078	17.7
147.11674	26.7
149.09676	8.9
149.13243	5.5
155.08545	25.5
155.56342	3.3
156.09303	12.3
157.10132	85.1
158.10820	4.9
159.08066	12.3
159.11694	54.0
161.09610	21.6
161.13251	13.4
163.11198	8.3
165.06915	6.8
167.08485	4.9
168.09348	4.6
169.10118	43.3
170.10869	7.5
171.08061	10.2
171.11693	56.1
172.12343	3.9
173.09631	14.7
173.13246	28.1
175.11165	13.3
175.14780	6.3
178.07793	4.6
179.08514	8.5
179.10732	4.4
180.09323	4.3
181.10126	14.7
181.12065	5.1
181.99231	3.4
182.10945	9.5
183.11693	44.8
184.12376	6.8
185.09653	20.4
185.13264	42.3
187.11150	16.5
187.14812	17.9
189.12718	10.5
191.10634	5.0
192.09344	5.7
193.10144	17.5
194.10968	5.3
195.11728	24.7
196.12506	8.3
197.09584	8.0
197.13251	33.4
199.11183	13.7
199.14810	19.6
201.12749	10.4
201.16306	6.2
205.10214	5.1
205.12286	6.5
206.10938	7.2
207.11758	22.7
207.13573	5.9
208.12286	6.3
209.09592	5.4
209.13307	30.8
210.13776	4.1
211.11208	14.3
211.14803	29.6
212.15289	4.4
213.12733	12.9
213.16356	13.9
215.14352	7.2
217.12291	5.5
219.11795	4.4
219.13820	7.9
219.69786	4.1
220.12448	5.7
221.13336	22.4
223.11275	6.8
223.14821	21.6
224.11948	5.0
225.12738	19.1
225.16428	16.2
227.14317	12.2
227.18053	8.5
229.12209	9.3
229.15970	5.9
231.13812	6.9
233.13232	5.7
233.15367	8.9
235.11133	11.4
235.14851	18.0
237.12727	15.2
237.16400	14.0
239.14302	9.0
239.17917	8.2
241.12117	6.6
241.15768	8.7
243.13887	9.0
245.15413	6.6
247.14767	7.2
247.16986	16.7
248.12206	5.3
248.15340	4.6
249.12822	8.4
249.16452	10.3
251.14307	11.1
251.17946	6.6
253.15831	12.2
253.19612	5.6
255.13884	7.7
255.17560	8.5
259.16940	6.7
261.16248	5.7
262.13760	4.2
262.16550	4.6
263.14252	4.4
263.17926	14.7
265.15878	9.1
265.19559	4.4
267.17371	10.1
267.21033	4.3
269.15521	5.1
269.18832	5.9
271.16898	10.0
273.18646	7.0
275.14267	5.0
277.15860	8.6
279.17343	5.4
281.19070	7.6
283.17026	4.6
285.18234	6.2
287.19992	7.7
291.17429	14.7
291.21188	11.0
293.19052	7.0
297.18442	6.9
299.20218	4.7
307.20456	7.1
309.18735	8.1
309.22134	14.6
311.20053	4.4
325.21466	11.9
327.23163	35.6
328.23251	3.8
335.23508	5.4
339.23230	4.3
353.24686	6.3
367.22461	4.3
368.27225	6.3
381.24289	5.2
385.24344	7.2
389.24265	8.9
403.26245	11.8
407.29886	5.4
411.25333	5.3
413.23969	5.0
413.28778	5.4
421.31473	6.6
431.25098	68.3
432.26019	7.9
449.26437	39.9
449.30829	36.1
467.31888	86.7
468.31714	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.1
55.01871	4.8
55.05513	12.2
57.03438	16.0
59.05040	4.2
61.02922	16.2
66.56603	4.3
67.05488	11.1
69.03429	22.1
69.07066	35.1
70.54506	13.8
71.01350	5.5
71.04992	10.9
73.02915	16.3
75.04402	4.6
79.05495	15.5
81.07043	24.1
83.04984	14.7
83.08652	5.4
85.02908	38.8
86.09717	26.6
93.07041	19.5
95.04973	26.4
95.08584	25.7
97.02913	21.8
97.06528	48.0
104.10780	5.8
105.05484	6.4
105.07059	7.1
107.08591	11.0
109.02931	5.9
109.10156	15.3
111.04450	5.4
111.11732	10.7
113.06006	6.4
115.03951	14.3
121.10128	38.7
123.04449	9.1
125.00012	10.6
127.03923	8.2
127.11212	21.4
131.07002	6.5
133.04984	18.1
135.04388	8.3
137.06044	5.1
139.11168	43.5
145.04926	9.5
145.70964	5.3
147.11687	5.7
149.09558	5.9
149.13263	13.6
157.12257	72.9
160.05215	6.7
161.02328	6.0
161.05994	20.7
163.03905	59.0
163.06009	5.6
164.06665	4.9
166.70547	4.3
167.14349	24.7
169.06314	4.8
173.05931	10.5
184.07347	58.3
189.09151	26.7
195.08098	11.3
203.33719	4.5
213.09189	11.8
215.06932	22.6
217.08638	6.1
217.15881	5.3
231.10150	9.7
235.16890	7.8
253.17989	9.2
258.04968	4.5
259.09671	100.0
260.05151	5.2
260.10129	7.0
271.19284	4.4
277.10455	6.6
281.21857	4.9
288.81635	4.1
303.04935	13.1
304.05362	30.1
305.05518	23.7
306.05841	47.0
307.15265	14.9
317.89771	4.6
335.75259	4.5
469.20200	12.4
481.02310	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	6.6
69.03404	3.2
69.07078	4.9
69.15266	14.7
69.15691	10.3
71.01339	2.9
77.80299	3.7
83.04972	5.5
91.28141	2.7
95.04968	11.0
96.44247	2.5
97.06522	27.1
104.87498	3.0
111.04429	2.9
124.81772	3.7
139.03894	4.6
146.06032	3.7
160.05205	8.7
161.05959	28.6
163.03888	36.6
167.08548	4.5
169.06476	5.0
173.05960	7.5
175.03958	5.1
175.07553	4.9
184.05200	3.1
184.07373	5.3
185.09616	3.5
189.09102	41.2
195.08049	6.3
213.09041	14.6
215.07025	42.5
217.08571	13.4
231.10081	8.4
233.08109	4.2
241.08640	5.4
259.09662	100.0
260.10037	6.6
277.10733	12.5
304.97421	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.7
55.05502	4.0
57.03418	4.9
67.05494	5.0
69.03423	4.0
69.07062	7.9
71.01357	2.9
71.04990	2.7
79.05479	8.7
81.07037	3.7
83.04956	5.4
85.02892	4.3
89.03896	3.7
91.05469	3.5
95.04939	9.3
97.06531	37.7
105.06973	2.4
107.04945	3.1
111.04412	2.3
115.05455	2.0
116.76199	2.0
117.03407	2.8
119.51237	1.8
122.16551	2.5
122.17408	1.9
123.04401	5.1
128.06204	5.0
129.06995	6.0
135.04439	2.6
137.05916	2.3
140.08557	1.9
141.07014	6.8
143.08539	5.2
145.02924	2.6
145.06468	2.7
147.04385	5.3
152.06171	3.7
157.06454	5.4
157.10139	4.4
160.05182	8.9
161.02364	2.5
161.05954	32.0
163.03893	48.1
167.08543	17.1
169.06479	5.6
169.10155	3.0
171.08098	3.3
173.02390	5.4
173.05972	9.7
174.06693	7.4
175.03922	4.9
175.07515	12.4
177.05496	3.4
181.06575	2.9
184.05170	10.0
185.05933	11.4
185.09657	5.5
187.07492	9.3
189.05508	5.1
189.09108	21.3
195.08067	23.0
196.08443	3.5
197.05963	5.6
198.06795	4.0
199.07549	4.5
201.09097	2.9
202.06248	2.4
203.07047	8.2
203.10735	2.6
207.02989	3.5
212.04814	3.8
213.05554	2.4
213.09090	40.3
215.07008	25.6
215.10550	5.1
217.08588	16.0
223.07491	6.2
226.06213	6.9
231.10153	20.1
237.40118	2.0
241.08556	35.2
249.11121	2.6
259.09662	100.0
260.09940	6.0
277.10669	8.9
406.74039	2.4
469.20270	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	7.0
55.05504	5.6
57.03428	4.0
67.05506	6.5
69.03401	2.5
69.06144	9.7
69.06565	11.5
69.07052	7.7
79.05494	5.5
83.04984	3.7
85.02903	3.5
95.04967	18.4
97.06530	39.0
111.04428	3.9
115.05445	2.7
117.03368	3.3
123.04397	9.2
129.06972	4.8
135.04399	5.2
139.03900	3.7
141.06985	6.8
142.07767	2.9
143.04865	2.9
143.08588	5.3
145.02815	3.7
146.06725	2.3
147.04439	3.2
152.06195	3.8
157.06465	7.0
157.10104	4.1
160.05190	7.1
161.02339	3.5
161.05975	31.9
163.03905	50.6
165.05469	2.8
165.06831	2.8
167.08556	14.4
169.06497	5.2
171.08124	3.6
173.05951	12.9
174.06764	4.7
175.03915	3.0
175.06207	3.3
175.07471	14.5
176.04573	2.8
177.05441	4.5
184.05205	10.7
185.05966	8.1
185.09599	7.6
187.07516	6.4
189.01930	3.4
189.05450	5.3
189.09106	25.2
195.08070	21.7
197.06009	4.2
197.09750	3.1
198.06668	2.4
203.07014	8.3
207.02921	3.0
213.09113	43.3
214.09424	3.9
215.07019	27.9
215.10536	5.4
217.08600	16.9
222.53757	2.8
231.10132	21.3
241.08562	25.0
259.09644	100.0
260.09964	4.8
277.10706	12.8
282.39926	2.4
357.16119	2.7
468.09772	3.6
481.07974	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37496	0.3
51.02385	0.4
53.03955	0.7
54.29944	0.3
67.66972	0.3
70.87582	0.5
70.87945	0.4
77.03947	0.4
79.05499	4.1
79.39819	0.2
89.03898	0.8
95.04968	0.9
103.05470	3.2
105.07037	100.0
106.07358	2.8
117.03380	0.7
122.09676	44.3
123.04530	0.6
123.10019	0.7
135.04427	1.1
145.02846	0.9
147.04462	0.5
163.03923	5.0
172.67799	0.3
234.96892	0.8
252.97964	1.2
275.97220	0.9
300.05524	0.3
362.00781	0.4
381.19864	0.3
409.01828	0.3
468.19144	0.4
469.12946	0.6
469.19815	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.1
55.05510	0.3
69.03432	0.2
69.37112	0.7
70.06259	0.1
70.06597	1.8
71.05006	1.3
73.02917	1.3
79.05479	0.2
80.04990	0.2
82.06585	13.4
83.06915	0.2
84.08131	0.5
85.02882	0.5
88.13191	0.1
91.05486	0.2
94.52869	0.1
97.08947	0.1
97.15340	0.1
98.23311	0.2
100.07623	6.5
101.07911	0.2
105.07002	0.5
107.04975	0.7
117.03385	0.3
119.04945	0.3
121.06533	0.2
121.10179	0.1
122.09644	0.4
123.04440	1.5
127.03861	0.2
133.00130	0.1
135.04407	0.4
139.03909	0.3
142.08643	100.0
143.08998	2.3
145.02817	0.2
147.04456	0.7
148.04778	0.4
151.03951	0.1
151.56099	0.1
160.07565	0.3
163.03915	1.3
215.36560	0.1
246.14899	0.2
250.90294	0.1
252.97882	0.2
254.30064	0.1
254.38683	0.1
289.07083	0.5
306.13852	0.2
306.17001	3.1
307.17215	0.1
322.12906	0.5
346.59076	0.1
408.20349	0.4
468.22470	7.6
469.21970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70474	0.1
56.05030	0.5
57.03424	0.3
58.06366	0.3
58.06642	0.5
59.07406	0.2
60.08165	7.0
64.63987	0.1
67.05504	0.4
69.03449	0.2
69.07076	0.3
70.06580	0.1
70.91896	0.3
71.07378	2.7
73.02900	0.1
79.05495	0.4
81.07063	1.0
83.04993	0.2
83.08616	0.2
83.28427	0.2
85.02911	1.1
86.09705	32.2
87.10035	0.3
89.01572	0.2
91.05484	0.5
93.07061	0.3
95.04971	0.3
95.08615	0.3
96.08974	0.2
97.02883	0.2
98.98474	3.0
104.10049	0.2
104.10740	3.6
105.07006	0.3
110.81812	0.2
119.08554	0.3
121.10175	0.2
125.00004	22.4
131.08548	0.2
133.04958	0.2
137.02353	0.1
142.89917	0.2
143.01042	0.2
184.07343	100.0
185.07700	1.6
215.06984	0.3
258.11017	0.2
259.09589	0.3
302.15857	0.2
303.04944	0.3
304.05264	0.8
305.05618	0.8
306.05804	1.2
307.75375	0.2
450.22449	0.8
468.23468	3.1
469.20218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01881	3.0
55.05513	1.0
57.03438	55.5
58.03763	1.2
59.04993	1.6
61.02916	1.7
64.03759	0.5
67.05495	0.7
69.03431	4.8
69.07053	1.0
70.98687	1.0
71.01347	0.5
71.04986	1.4
72.04506	0.7
73.02927	4.8
73.44416	0.7
79.05492	3.0
81.03414	0.6
81.07073	3.1
83.04977	1.6
85.02904	10.0
86.03237	0.6
87.04465	1.3
87.51660	0.6
91.05463	0.9
91.44381	0.5
93.07045	5.9
95.04984	0.9
95.08618	2.7
97.02898	5.7
97.06472	0.6
105.07041	1.5
109.10160	0.6
115.03915	3.0
121.10147	34.0
122.10506	1.2
123.04461	0.7
127.03939	3.4
127.11160	1.2
129.06967	0.6
131.04926	0.9
132.06569	1.5
133.04953	3.9
137.05981	4.5
139.11180	100.0
140.11523	4.1
141.06960	1.0
145.04961	2.4
147.04422	1.2
149.06018	0.9
150.07610	1.8
151.07498	0.9
157.06500	0.6
157.12213	0.8
159.04480	0.5
161.06020	0.8
163.03857	0.9
163.06053	1.1
163.07545	0.9
163.32492	0.5
167.08629	0.6
167.14307	1.3
169.06483	2.1
174.76662	0.6
175.03940	0.8
175.07541	0.9
179.07014	0.6
179.08609	0.6
184.07274	0.7
187.07600	2.0
189.05515	0.7
189.09218	0.5
197.06009	1.9
199.07405	0.8
200.04694	2.2
205.08582	0.6
213.09042	1.1
215.07043	4.2
219.51337	0.6
223.06009	0.7
241.08792	0.8
245.11847	0.6
259.09695	6.3
277.10712	2.9
307.15176	0.9
309.70712	0.6
317.08441	1.3
469.13254	16.0
469.19873	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	6.9
55.05505	12.0
59.05000	10.5
61.02915	23.5
67.05502	13.8
69.03424	18.4
69.07062	20.5
71.04994	26.5
71.30008	9.6
73.02915	13.5
79.05486	7.5
79.72334	5.9
81.07051	27.6
83.04993	9.9
85.02900	41.1
86.09720	14.7
87.04466	10.9
89.89243	6.1
93.07056	33.7
95.04973	25.9
95.08608	23.6
96.29626	6.2
97.02896	14.4
97.06543	12.0
99.04449	7.7
105.05502	27.2
105.07018	14.7
107.08595	21.0
109.10157	50.9
111.11730	11.6
113.06030	17.1
121.10143	31.2
127.03911	8.4
127.07590	7.5
127.11189	60.1
131.07080	13.8
131.08505	10.8
137.06009	15.1
139.11188	30.8
145.05025	8.3
145.10173	7.8
147.11691	9.0
149.13274	27.7
157.12239	31.8
163.03963	10.4
167.14319	100.0
169.06470	11.2
184.07385	24.4
191.82599	6.5
197.06026	8.9
215.07060	25.7
217.15929	14.1
223.16930	15.9
235.16962	23.2
253.17969	31.4
259.09692	28.2
259.51489	5.7
271.19034	9.7
304.05225	8.7
306.05722	12.4
307.15335	12.2
469.20590	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	6.9
55.05505	12.0
59.05000	10.5
61.02915	23.5
67.05502	13.8
69.03424	18.4
69.07062	20.5
71.04994	26.5
71.30008	9.6
73.02915	13.5
79.05486	7.5
79.72334	5.9
81.07051	27.6
83.04993	9.9
85.02900	41.1
86.09720	14.7
87.04466	10.9
89.89243	6.1
93.07056	33.7
95.04973	25.9
95.08608	23.6
96.29626	6.2
97.02896	14.4
97.06543	12.0
99.04449	7.7
105.05502	27.2
105.07018	14.7
107.08595	21.0
109.10157	50.9
111.11730	11.6
113.06030	17.1
121.10143	31.2
127.03911	8.4
127.07590	7.5
127.11189	60.1
131.07080	13.8
131.08505	10.8
137.06009	15.1
139.11188	30.8
145.05025	8.3
145.10173	7.8
147.11691	9.0
149.13274	27.7
157.12239	31.8
163.03963	10.4
167.14319	100.0
169.06470	11.2
184.07385	24.4
191.82599	6.5
197.06026	8.9
215.07060	25.7
217.15929	14.1
223.16930	15.9
235.16962	23.2
253.17969	31.4
259.09692	28.2
259.51489	5.7
271.19034	9.7
304.05225	8.7
306.05722	12.4
307.15335	12.2
469.20590	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01877	11.3
55.05265	2.4
55.05511	22.9
57.03439	23.6
57.07078	27.2
59.04992	3.8
61.02932	12.7
64.75925	2.0
67.05498	4.0
69.03432	36.1
69.07066	26.3
69.38364	4.5
69.38766	10.4
70.15482	1.5
71.01344	5.8
71.04980	2.7
71.08629	5.7
73.02917	48.2
79.05490	4.9
81.03417	8.0
81.07059	20.2
82.07372	3.2
82.41949	1.7
83.04980	3.5
83.08620	100.0
85.02908	89.3
85.03439	3.3
87.04457	5.7
87.08064	1.6
91.03966	5.2
91.05487	5.1
93.07019	5.2
95.04973	5.5
95.08619	4.5
97.02896	51.0
97.10152	12.2
98.23316	3.6
99.04453	5.1
103.03934	3.3
104.38976	1.6
105.07035	4.9
107.08589	3.7
109.02895	8.8
109.06531	6.6
109.10172	2.5
111.04427	6.6
115.03932	28.1
117.07002	2.1
119.08580	3.0
121.10146	4.2
127.03904	26.2
131.08621	3.1
132.06575	5.8
133.04965	31.7
133.10129	5.0
135.04402	7.1
136.04745	4.6
137.05998	14.0
138.06314	3.5
141.07053	1.9
143.08600	3.2
144.08870	1.8
145.04959	29.2
145.10149	2.1
149.05952	3.2
149.09596	3.1
150.07628	4.4
157.10147	3.2
157.15881	70.1
159.08044	4.7
160.08450	2.5
161.09592	1.9
163.06068	9.4
171.11699	2.3
172.08664	2.3
193.04926	1.8
235.16911	4.4
241.07082	5.8
253.18040	3.0
259.08145	5.3
265.17862	2.3
283.19278	4.5
334.11285	1.9
347.43701	1.9
392.19287	2.6
438.19928	5.4
450.19739	2.5
451.20947	2.2
468.24191	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00000	1.3
53.03938	2.3
55.05510	12.7
57.07077	17.9
58.07419	4.2
59.05001	2.6
62.36249	1.4
65.03973	1.5
67.05508	44.9
68.05846	10.8
69.03404	1.3
69.07076	5.6
69.90714	5.8
69.91068	1.4
70.07408	1.3
71.04995	1.8
71.08630	12.0
72.08981	3.0
79.05502	5.8
81.07063	20.6
82.07385	3.2
83.04980	4.7
83.08619	9.1
84.08967	1.5
85.10188	6.7
86.10524	1.5
89.06013	9.5
91.05453	9.3
93.07043	13.9
95.04942	2.5
95.08611	36.0
96.08945	5.5
97.06551	2.6
97.10157	3.3
105.07051	9.3
107.08607	11.8
109.06514	2.8
109.10159	37.9
110.10487	12.6
111.04466	3.0
111.08083	8.9
113.06024	1.8
119.08580	14.9
120.08923	2.4
121.06520	2.1
121.10161	7.2
122.10460	1.7
123.08073	3.8
123.11717	4.0
123.94196	1.3
125.09678	2.4
126.09985	2.0
129.07050	2.4
131.08560	6.7
133.08583	6.7
133.10141	11.9
134.10493	1.3
135.08034	2.5
135.11691	4.3
137.09634	4.0
139.07582	4.3
141.06909	1.5
142.07753	1.7
143.08582	6.0
145.10126	12.8
147.08038	3.4
147.11652	7.4
148.06807	1.4
149.09607	1.7
149.13330	2.5
155.08566	4.3
155.10666	1.6
157.10164	9.0
158.10556	2.6
159.11719	10.6
161.13292	4.0
163.11119	2.8
169.10089	7.7
171.11710	7.6
173.09550	1.9
173.11760	9.4
173.13316	6.1
174.12125	3.8
175.11259	4.4
177.11255	2.3
181.10156	4.5
183.11696	7.6
184.12166	1.6
185.13297	5.4
186.13734	1.6
187.03671	100.0
187.11198	2.1
187.14850	6.9
189.12749	5.6
193.10167	1.7
195.11763	8.1
195.13417	1.3
197.13338	3.2
199.14877	3.7
207.11818	1.6
207.13753	2.4
209.13281	9.6
210.13670	1.8
211.14853	3.7
212.15413	1.4
213.16435	2.5
223.14798	4.4
225.16254	3.0
226.17006	1.8
227.14320	1.7
227.17915	2.2
228.06337	3.0
235.14699	2.2
237.16429	6.0
239.17911	14.5
239.23788	3.4
240.24048	2.2
241.19591	1.7
246.14375	1.3
249.16415	2.2
251.18042	5.2
253.19455	2.7
257.18933	3.1
265.19537	6.2
274.22763	1.4
279.21075	5.7
283.17545	4.9
293.22623	8.2
295.24069	2.6
305.28049	1.9
311.23724	2.7
313.21643	1.4
319.24030	2.9
327.08621	2.0
333.26031	2.3
334.26349	1.8
337.25461	2.3
349.21603	4.4
363.23373	2.2
365.25058	2.0
415.30020	3.6
433.25409	2.5
433.31061	43.5
433.36987	2.3
434.31415	3.8
450.26501	2.2
451.32040	15.4
452.32483	2.1
468.31897	3.6
468.37677	40.0
469.32861	39.4
469.39026	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
57.03439	5.3
58.03774	0.5
61.02935	0.4
69.03437	2.1
71.01318	0.4
71.29816	0.7
73.02911	0.7
79.05508	0.4
81.03416	0.6
81.07052	1.2
83.04984	0.4
85.02895	2.0
87.04443	0.3
91.05482	0.8
93.07066	0.9
95.04974	0.5
95.08608	0.4
97.02882	1.3
97.06545	0.4
99.08093	0.6
103.05476	1.2
105.07017	0.6
109.02895	0.5
115.03922	0.5
115.05456	0.7
117.07018	1.3
119.04957	0.6
121.10134	1.9
122.03653	1.0
122.10484	1.2
123.04469	0.6
127.03861	0.5
128.06242	0.6
129.07025	0.7
131.04939	2.5
133.04971	0.6
133.06503	0.4
137.05978	11.0
139.03806	0.5
139.11168	7.7
139.12164	0.5
140.11484	3.5
141.07011	0.9
145.06522	1.6
147.04431	1.8
149.06078	0.6
149.07411	0.4
151.07538	2.3
153.06982	0.4
157.06509	0.7
159.10146	0.6
160.05232	0.7
161.05995	1.6
163.03946	0.7
163.07559	2.6
171.08063	0.7
174.06714	0.6
175.03749	1.2
175.07515	1.7
177.05498	1.5
177.09140	1.4
179.07033	1.1
181.06409	0.5
183.08044	0.5
185.05943	0.4
187.07574	1.6
188.08185	0.6
189.09120	0.9
191.07074	0.9
195.08105	1.2
197.06102	0.5
199.07570	0.5
201.09081	1.3
203.07062	0.9
205.08626	0.4
207.08058	0.3
213.09096	1.2
215.07068	1.2
217.08658	1.3
219.10112	0.6
227.06981	0.6
229.06775	0.5
229.08688	0.6
231.10191	1.2
233.08070	0.4
235.09782	0.8
245.11769	0.4
247.09692	0.6
255.10100	0.5
259.09735	1.1
260.10037	1.1
273.11337	1.2
277.10721	3.4
303.12302	0.5
307.15146	1.2
317.08447	9.7
337.09015	0.7
379.15479	0.6
433.22946	0.5
442.17038	0.4
451.17065	0.5
469.13147	100.0
470.13522	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22756	0.6
55.01871	1.3
57.03425	0.8
61.09746	0.5
66.40607	0.6
67.05489	0.8
67.80768	0.6
69.03436	0.7
70.88879	1.1
73.02898	0.6
75.23108	0.6
79.24100	0.6
79.57757	0.6
81.07050	1.6
82.72053	0.6
83.04986	1.1
83.54871	0.6
85.02921	1.0
91.05468	0.6
93.07085	0.8
95.04980	1.3
97.02876	0.7
97.06568	0.8
111.04450	1.1
121.10190	0.7
123.04415	2.1
129.06975	0.6
136.73997	0.6
139.03862	0.7
139.11234	0.8
143.04836	0.6
143.08522	0.8
154.07780	0.6
157.06477	0.6
161.05928	2.3
163.03914	1.6
167.08563	1.6
169.06557	0.6
169.10046	0.8
171.08089	1.1
173.05977	1.4
173.09666	0.7
174.06729	1.3
175.03668	1.5
175.07599	2.2
181.06470	0.6
183.06509	1.6
187.07549	3.2
189.05472	1.4
189.09029	2.8
191.07001	1.5
195.08093	1.3
197.09746	0.8
198.06584	1.3
199.07526	1.3
201.05222	0.6
201.09148	2.0
203.07045	1.8
213.09058	2.3
215.07054	1.3
215.10623	1.3
217.08646	2.4
229.06662	0.9
231.10139	2.3
235.09671	1.8
241.08563	1.1
247.09662	1.7
259.09714	4.1
260.10010	1.9
276.90213	0.6
277.10733	15.1
307.11551	1.0
307.15195	1.6
317.08459	13.2
337.08994	1.6
451.32709	1.3
469.13068	100.0
470.13394	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01858	1.0
55.05511	47.4
56.05840	1.8
57.03418	1.2
57.07074	2.4
67.05242	1.0
67.05509	11.7
69.03422	1.8
69.07066	6.3
71.30040	1.3
79.05496	9.1
81.07056	17.4
83.04980	48.0
83.08606	2.9
84.05293	1.2
85.06546	7.1
91.05473	13.0
93.07040	19.4
94.07356	1.3
95.04952	4.5
95.08606	30.7
96.08927	1.2
97.06525	4.3
104.37267	1.1
105.07029	19.6
106.07378	1.0
107.08591	21.5
109.06516	4.3
109.10158	12.1
111.04434	3.5
111.08049	3.3
113.06045	1.3
117.07011	3.6
119.08582	19.4
121.06483	4.1
121.10151	14.5
123.08057	8.0
123.11710	4.4
125.09612	2.8
128.06200	1.8
129.07002	3.7
131.08556	10.3
133.06506	2.1
133.10127	15.5
135.08049	4.8
135.11667	5.6
137.06017	1.7
137.09613	2.2
139.07550	2.7
141.06972	3.3
141.09076	1.5
142.07793	2.5
143.08546	8.1
145.06476	1.8
145.10115	16.9
147.08035	4.7
147.11694	10.0
149.09612	4.1
149.13242	2.3
151.07613	1.4
151.11096	1.4
153.05617	1.1
153.06964	6.1
153.09044	2.3
154.07744	1.9
155.04897	1.1
155.08546	4.4
156.09300	2.7
157.10110	11.4
159.08060	2.9
159.11674	11.4
161.09668	4.9
161.13226	8.4
163.11241	2.2
165.06979	3.2
165.09052	1.1
167.07114	1.6
167.08554	2.8
167.10628	1.7
168.09254	2.0
169.06456	1.5
169.10118	6.1
170.10806	1.0
171.08084	2.2
171.11668	8.2
173.09602	4.2
173.13260	8.3
175.11157	3.7
175.14821	3.3
177.09152	1.5
177.12749	1.8
178.07736	1.4
179.08553	2.7
179.10678	1.9
181.06429	5.4
181.10118	2.3
181.12212	2.2
182.07262	2.2
182.10796	1.5
183.08067	2.8
183.11639	5.6
184.12267	1.0
185.09601	2.9
185.13269	5.0
187.11205	4.0
187.14821	3.5
189.12758	2.6
189.16434	2.3
191.14301	2.3
193.10155	2.3
194.10808	1.5
195.08017	1.1
195.11682	4.0
196.09039	1.2
197.05922	1.5
197.09653	2.8
197.13237	4.4
198.06796	1.7
199.03966	1.6
199.11179	2.9
199.14818	6.1
201.09181	1.8
201.12688	3.3
201.16338	5.3
203.14299	2.5
203.17993	1.2
205.10242	1.5
205.12105	1.3
207.11620	1.5
209.05995	7.0
209.13268	3.3
210.06744	4.5
211.07561	3.5
211.11169	2.3
211.14731	2.5
213.05489	3.1
213.12683	2.5
213.16389	2.0
215.10732	1.5
215.14282	2.5
215.17924	1.6
217.12209	1.1
217.15877	2.5
219.13800	1.6
221.13348	2.4
221.15421	3.7
223.07513	1.1
223.11159	2.1
223.14906	1.8
225.05408	2.1
225.09081	1.2
225.12692	1.7
225.16309	1.7
227.03333	9.6
227.07016	1.9
227.10687	1.7
227.14230	1.5
228.03951	1.7
229.04878	1.4
229.15846	3.0
231.13898	1.8
231.17393	1.4
233.15355	3.4
235.14844	1.3
235.16963	3.0
237.05505	5.0
237.12709	3.2
237.16370	1.6
238.06068	1.9
239.03368	2.2
239.06990	12.5
239.10750	2.4
239.14268	2.0
239.17906	1.3
240.04153	4.9
240.07748	5.5
241.04884	2.4
241.15823	1.6
242.05673	6.6
243.03053	1.1
243.11661	1.2
245.15466	2.0
247.16943	4.0
249.12970	1.1
249.16328	1.6
249.18730	1.4
251.03430	2.5
251.10556	1.3
251.14270	1.8
251.17924	1.4
252.04022	2.1
253.05087	1.6
253.08536	3.4
253.12117	1.8
253.15900	2.5
254.05647	1.3
255.02911	2.9
255.06549	2.5
255.10098	1.9
256.03583	1.8
257.04547	2.0
257.11542	1.3
259.14709	1.3
265.15927	2.0
266.05685	3.2
267.06485	24.2
268.07068	3.3
269.05225	1.5
269.08017	10.3
269.15546	1.2
271.09598	2.6
279.06592	1.6
279.13745	1.5
281.08066	2.3
282.05222	1.3
282.08768	2.1
283.06064	2.1
283.16809	2.0
284.06665	1.7
286.04749	2.3
287.05338	1.9
293.15253	2.0
295.05966	8.0
297.07550	10.7
298.04770	22.5
298.08295	2.9
299.05261	1.9
299.08994	4.2
309.07672	1.7
311.16583	1.3
312.06219	4.1
313.10712	4.3
314.11133	1.4
315.04971	44.0
316.05435	2.9
326.07742	12.1
327.08615	95.8
328.09003	7.0
329.10071	1.8
337.10611	1.5
337.17963	1.6
351.12466	1.1
367.11655	2.1
369.09665	100.0
370.10013	9.0
387.23242	1.7
397.09128	26.4
398.09457	2.8
405.23892	2.5
405.31763	1.5
415.22559	2.6
423.24539	1.3
433.23834	4.4
433.31015	3.7
451.24808	4.6
451.31894	4.9
468.31216	1.8
469.14728	2.8
469.28586	1.8
469.33221	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1681
Annotation	PRIM-O-GLUCOSYLCIMIFUGIN
Peak:m/z	Relative Intensity
54.95661	0.6
55.25698	0.5
59.23449	0.7
66.38851	0.6
70.83523	1.2
74.76365	0.6
81.90679	0.6
83.01104	1.5
95.01073	2.8
95.85168	0.6
96.01873	1.3
112.01337	1.7
113.02111	3.9
123.04416	1.1
155.99681	0.7
185.04198	7.3
201.03665	1.3
203.05319	0.9
217.04674	1.7
232.07059	18.7
233.07437	1.6
259.07761	3.4
264.22308	0.6
275.08905	1.8
307.11694	0.8
311.40613	0.8
344.83441	0.7
438.14984	3.1
439.15546	2.6
469.16818	100.0
470.17093	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.3
53.40922	0.4
55.01869	2.1
55.05502	1.3
56.05032	0.3
57.03443	1.9
59.05007	0.5
60.08163	1.8
61.02951	0.5
69.03429	11.1
69.33372	1.2
69.33797	1.1
71.01326	0.5
71.04990	5.7
71.07375	0.4
73.02921	0.7
79.05486	0.4
81.03416	26.7
81.07050	1.0
82.03741	0.6
83.04984	5.2
85.02895	2.2
86.09702	4.8
87.10037	1.7
91.05479	0.7
95.04963	0.9
95.08623	0.4
97.06536	0.6
98.22630	0.6
99.04456	9.9
100.11254	1.3
103.03918	1.7
104.06004	0.3
104.10744	8.3
105.11075	2.9
109.02877	10.4
110.03233	0.4
111.04414	0.7
117.05478	2.2
118.06541	3.4
123.04418	1.3
124.99997	3.3
127.03915	2.5
137.02316	0.6
145.07603	5.2
147.09163	10.0
148.09538	0.5
161.07170	0.5
162.07835	0.8
163.03882	0.6
163.08659	1.2
173.07109	11.4
174.07452	0.5
175.08669	10.7
176.09274	0.4
182.15402	0.8
184.07344	7.5
185.07686	2.1
187.08658	0.5
189.08951	0.4
190.07344	0.6
191.08148	100.0
192.08496	4.3
198.14946	1.0
199.08722	0.8
200.45131	0.3
203.08218	0.8
204.08894	0.8
205.09695	0.5
206.06602	0.3
210.14896	1.2
212.84930	0.3
213.10222	0.9
215.06949	0.8
226.14323	0.7
231.11234	1.0
233.09251	0.7
243.11310	0.7
271.10770	2.6
277.10739	0.5
289.11804	8.9
290.12122	0.8
303.04938	0.7
304.05222	1.4
305.05563	2.0
307.12854	31.8
308.13208	1.4
325.13922	29.8
326.14182	1.8
331.12878	7.9
337.21115	0.4
349.13895	5.6
350.14389	0.5
354.24017	0.8
371.16077	1.8
389.17068	3.0
391.14929	0.7
397.14029	5.4
409.08234	1.0
415.14944	9.0
433.16071	8.7
434.16061	1.0
451.17126	8.2
451.22742	0.8
452.31155	0.7
455.21762	0.4
469.10437	2.0
469.23578	2.2
469.33987	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56604	0.5
53.03947	2.1
55.01871	3.0
57.03439	1.5
67.05470	0.8
69.03432	10.1
69.07064	0.7
69.37412	1.3
69.37823	2.0
71.01339	0.6
71.04993	7.4
76.41561	0.5
79.05480	0.9
81.03422	10.1
81.07037	1.0
83.04974	1.9
85.02903	1.2
91.05497	2.5
91.05994	0.6
93.07069	0.6
95.04971	0.5
97.02866	0.6
97.08260	0.5
98.23354	0.8
99.04456	4.7
101.02350	0.5
103.05473	0.8
105.07066	0.6
109.02887	3.6
111.04440	1.1
115.05444	0.7
117.05508	2.0
117.07027	1.7
118.06548	3.6
119.04967	1.1
122.03645	1.4
123.04427	0.5
123.11704	1.8
127.03905	0.8
128.06236	0.6
129.06995	1.2
131.04887	2.6
131.08568	0.6
133.06429	0.6
136.71904	0.5
137.04971	0.9
137.05977	12.9
141.07042	0.8
141.12730	1.8
143.08559	0.5
145.06473	1.9
145.07608	6.1
147.04390	2.0
147.09161	4.5
149.05962	1.1
151.07556	2.5
152.06245	0.9
157.06482	0.7
159.08092	1.0
159.13780	0.9
161.05992	1.8
163.07535	2.1
163.08727	1.1
165.05537	0.7
167.08595	0.8
169.06528	1.3
171.08046	0.5
173.07120	10.1
174.06717	0.7
175.07506	1.8
175.08841	3.1
177.05458	2.2
177.09120	1.6
179.07057	0.9
183.07944	0.6
187.07555	1.3
189.09126	1.1
191.08160	100.0
192.08528	3.3
193.08601	0.9
195.08177	0.8
197.05966	0.6
201.09004	0.8
203.06863	0.7
203.10692	0.7
213.09138	1.1
215.07074	1.7
217.08586	1.7
219.10182	1.1
245.08154	0.6
245.11469	0.5
247.09563	0.7
257.11789	0.6
259.09668	1.2
273.11230	1.1
277.10730	1.6
289.11923	3.3
291.12317	1.0
291.25226	0.5
307.12848	55.1
308.13177	2.6
325.13940	13.0
326.14160	0.9
331.12982	0.7
397.14035	0.9
409.16229	0.9
415.15079	1.4
433.16193	3.0
451.17969	0.6
469.19955	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.6
55.05508	21.9
67.05512	5.8
69.03433	4.2
69.07066	4.2
69.45984	10.0
79.05497	3.5
81.07056	8.4
83.04984	30.5
91.05492	6.6
93.07047	8.2
95.04935	2.0
95.08604	14.2
105.07022	13.4
107.08591	11.4
109.10153	7.1
116.06992	2.0
117.07006	3.7
119.08590	8.7
121.10134	7.2
123.08115	2.5
123.11721	3.0
125.09617	2.3
131.08595	4.6
133.10164	8.4
135.11674	4.1
143.08583	3.6
145.10118	7.7
147.08057	3.6
147.11681	5.9
152.44778	1.9
157.10112	5.0
159.11681	4.8
161.09641	2.7
161.13344	3.1
169.10133	2.8
171.11705	5.3
173.13330	2.7
178.72260	1.9
183.11728	2.3
185.13338	3.5
187.14771	3.1
209.13142	3.3
211.03937	3.2
211.14711	2.6
212.04536	2.5
233.15367	3.0
239.03383	24.6
251.03381	32.6
252.04095	12.2
257.82559	2.0
266.05713	17.7
267.02826	13.5
267.06485	5.7
282.05188	19.6
295.09329	2.1
297.07578	100.0
298.08008	6.8
302.05933	2.1
327.08578	7.4
369.09692	3.1
434.85449	2.3
469.26596	2.3
469.33054	7.2
475.61423	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
54.12146	0.3
55.05511	74.9
55.22022	0.4
56.05846	1.3
56.60553	0.4
69.20032	2.6
81.07059	0.5
83.04980	100.0
84.05296	1.9
86.64768	0.4
89.06021	0.6
90.60707	0.4
93.07020	0.4
96.08844	0.4
97.79833	0.4
105.06987	0.5
119.08543	0.5
121.09992	0.4
123.10001	0.4
147.20398	0.4
223.19954	0.5
247.86322	0.4
385.16150	0.5
395.14673	0.5
469.30554	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81466	1.0
53.03939	1.6
55.05511	71.3
57.07061	3.7
61.27178	1.1
67.05508	7.2
69.07069	5.8
69.86768	4.6
69.87116	1.1
71.08624	2.5
79.05496	4.7
81.07053	11.1
83.04980	100.0
83.08633	3.3
89.06026	4.7
91.05499	3.8
93.07051	8.2
95.08600	14.6
97.10160	2.6
105.07038	7.8
107.08586	9.1
109.06512	1.7
109.10151	6.6
111.08122	2.2
114.38229	1.1
117.07063	1.4
119.08578	10.6
121.06560	1.8
121.10154	9.7
123.08037	1.3
123.11710	2.8
129.06996	1.5
131.08565	5.1
133.08597	1.3
133.10100	9.8
134.22301	1.1
135.08026	1.9
135.11700	4.8
139.07478	1.1
143.08597	4.1
145.10106	7.9
147.11702	5.9
149.09654	2.4
149.13281	1.9
157.10143	3.7
159.08037	1.4
159.11705	6.9
161.09599	2.7
161.13258	2.8
163.11192	2.1
163.14723	1.4
167.07072	1.8
169.10133	2.6
171.11717	3.4
173.13258	3.5
175.11203	4.3
175.14833	2.8
181.12270	2.0
183.11748	1.5
185.13278	3.3
187.03653	1.5
187.14909	2.1
188.50682	1.2
189.12730	1.4
189.16345	1.6
195.11781	1.5
201.12556	1.2
201.16354	2.1
203.14391	2.5
204.07782	1.7
205.08670	1.4
210.81129	1.3
213.16470	2.3
217.15921	3.0
229.16124	1.2
230.24782	1.2
231.17365	1.8
233.08105	2.1
233.15309	1.4
235.17030	1.5
247.09698	5.2
248.10411	1.5
249.18562	1.9
264.07690	1.2
283.17596	2.3
292.07358	1.5
294.08722	1.3
318.10223	1.3
321.11118	1.7
337.10718	1.8
339.12289	1.5
349.10785	1.7
351.08575	2.6
355.15359	5.8
366.10910	1.8
367.11792	1.6
380.12390	2.2
381.13297	4.8
382.14108	2.0
387.17993	10.1
395.14807	2.1
397.12967	1.5
400.15067	2.7
405.16995	3.6
413.15912	2.4
423.32608	1.6
433.30927	2.9
437.19446	3.4
438.20313	5.3
451.31290	2.6
469.22241	13.7
469.32266	2.2
469.37006	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2222
Annotation	Terreulactone C
Peak:m/z	Relative Intensity
53.03939	1.3
55.01876	1.5
55.05507	2.8
57.03440	1.0
57.07074	1.3
67.05500	4.5
69.03432	4.4
69.07068	4.8
69.13661	5.7
71.04993	2.6
79.05496	7.2
81.07050	17.4
83.04977	2.8
85.02928	0.8
85.06549	2.4
91.05477	9.2
93.07044	6.9
95.04964	4.6
95.08619	6.0
97.02862	4.6
97.06523	10.6
99.04454	8.4
105.07039	8.6
107.04960	1.5
107.08603	7.6
109.06518	20.5
109.07249	1.3
109.10160	3.2
111.04449	2.5
111.08101	1.6
115.05453	2.0
117.07027	7.0
119.04955	1.3
119.08592	5.8
121.06528	2.2
121.10179	1.6
122.67785	0.9
123.08085	4.1
125.05991	2.2
127.03893	3.4
128.06201	3.2
129.07014	7.9
130.07846	1.0
131.04999	1.2
131.08580	6.5
133.06494	2.1
133.10120	3.3
135.04390	1.7
135.08061	3.6
137.05978	14.3
137.09601	1.7
137.13268	0.8
139.07506	1.2
141.06992	8.0
142.07704	2.6
143.08566	8.2
145.02831	0.8
145.06500	3.4
145.10109	7.0
147.08051	3.4
147.11696	1.2
149.09674	1.1
153.05521	2.1
153.06996	4.6
154.07608	1.2
155.08554	23.8
156.09331	1.4
157.06523	1.3
157.10143	9.4
159.04382	0.9
159.08051	3.9
159.11708	2.6
161.02367	1.5
161.09575	4.0
163.03935	5.5
165.06961	6.2
165.09131	1.0
166.07800	3.2
167.08562	11.8
168.09358	2.1
169.06476	1.0
169.10129	8.5
171.07993	4.2
171.11725	2.4
173.02315	5.0
173.09610	10.1
175.07478	1.4
175.11172	0.8
177.09009	1.0
178.07697	3.7
179.08562	10.6
180.09349	4.1
181.06451	1.5
181.10095	10.7
182.10947	2.1
183.08051	3.9
183.11624	3.9
184.08807	1.1
185.06001	0.8
185.09634	3.5
185.13257	1.7
187.11102	1.8
189.09152	1.6
191.08533	5.7
192.09383	4.4
193.10115	10.2
194.10869	0.9
195.08054	2.7
195.11694	11.0
196.08719	1.0
196.12440	1.2
197.09615	5.1
197.13280	3.5
198.13895	0.9
199.11186	1.6
199.14873	0.9
202.07819	1.3
202.96696	0.8
203.08647	2.7
203.10641	0.7
204.09375	3.3
205.10110	6.6
206.10884	3.6
207.08107	1.9
207.11700	9.6
208.12206	1.8
209.09610	4.3
209.13225	7.4
210.14011	1.1
211.07518	1.1
211.11255	3.7
211.14851	2.5
213.09032	1.6
213.12787	1.3
215.06898	5.5
215.08711	2.1
216.07458	1.1
216.09286	4.3
217.10129	4.6
218.10765	3.6
219.08183	0.9
219.11731	6.4
220.12415	1.2
221.09659	1.1
221.13272	9.2
222.14012	1.8
223.11185	4.2
223.14760	7.4
224.11829	0.8
224.15401	1.7
225.09143	1.3
225.12819	4.5
225.16397	2.5
227.10675	1.0
227.14346	2.7
229.10202	2.1
230.10892	1.4
231.11693	17.1
232.12408	3.2
233.13274	14.9
234.10426	1.6
234.13855	2.2
235.11186	2.0
235.14818	3.9
236.12022	1.0
237.12782	5.0
237.16432	2.7
239.10756	1.0
239.14326	2.6
241.12189	1.2
242.10966	1.4
242.16696	4.2
243.11662	0.9
244.12325	1.7
245.13336	3.1
246.14098	1.7
247.11147	1.5
247.14850	3.7
248.12061	1.4
249.12746	15.4
249.16420	2.5
250.10104	0.9
250.13432	1.8
250.17300	0.9
251.14310	13.0
251.17934	4.0
252.15007	2.2
253.12202	1.5
253.16005	3.9
259.09488	8.5
259.14716	4.5
260.09946	2.8
260.15646	1.2
261.12762	1.5
261.16434	7.0
262.17188	2.1
263.14389	2.2
263.17984	3.5
265.12231	0.8
265.15985	4.2
267.13852	4.8
268.14572	1.0
269.15353	2.4
271.14902	2.6
272.15646	1.4
273.16333	1.3
275.14294	1.3
277.10516	3.9
277.15933	2.1
278.16684	1.4
279.14294	1.4
279.17386	8.9
280.18250	4.2
281.15555	1.3
281.19003	3.5
283.13510	1.1
285.16241	0.9
289.15869	3.8
290.16711	1.3
291.17435	1.7
295.13495	0.9
295.16858	1.0
297.18439	1.4
305.15390	1.1
307.16940	3.4
309.18527	1.5
325.18057	1.9
328.13773	0.8
333.07785	1.0
335.16425	1.5
353.17529	1.4
369.18307	1.8
371.19131	1.7
377.21057	1.8
379.18710	1.1
379.22925	1.7
387.19275	3.9
389.21011	2.4
393.20697	1.0
395.22296	1.3
405.20520	19.0
406.21234	1.7
407.22122	34.8
408.22424	3.2
414.76376	0.9
415.19229	1.5
423.21637	58.1
424.22073	3.7
425.23227	19.0
426.23743	1.3
433.19894	3.7
451.21063	76.4
452.21338	7.6
469.22202	100.0
470.22409	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.05513	58.7
56.05845	1.2
57.07063	1.2
57.85503	1.1
61.94692	1.4
67.05511	3.2
69.07070	3.9
69.44801	4.6
75.04487	1.3
79.05467	1.3
81.07056	4.2
83.04981	100.0
84.05293	1.7
85.06540	25.9
87.08131	2.7
90.66214	1.1
91.05485	2.7
93.07047	2.4
95.04981	1.4
95.08607	3.4
97.06547	1.5
105.07039	4.2
107.08601	2.7
109.06493	1.9
109.10193	1.3
119.08561	2.9
121.06511	2.5
121.10137	2.2
123.04443	2.0
123.08081	1.7
129.07018	1.8
131.08575	3.4
133.10112	2.0
135.08060	2.8
135.20284	1.1
137.06026	1.9
139.70285	1.0
143.08553	2.2
145.10152	2.5
147.11696	1.4
149.06009	5.0
153.06966	1.4
155.08536	2.7
157.10168	2.2
158.07364	1.2
158.16122	1.2
159.08020	1.4
159.11729	2.2
163.07544	1.2
166.06227	1.2
167.07043	7.2
167.08353	1.5
169.10098	1.7
171.11682	2.0
173.06137	1.3
173.09659	2.1
175.07568	1.8
181.08606	6.4
181.10025	1.7
186.06747	4.8
187.07558	2.2
189.09105	1.4
195.08267	1.0
195.10162	5.5
195.11748	1.4
199.10997	1.3
201.09157	2.1
204.07811	10.2
205.08633	4.4
209.13353	2.2
217.08461	1.8
219.08298	1.7
219.10172	6.8
225.09171	1.7
232.07152	2.4
233.08073	9.3
235.07510	2.1
237.16214	1.5
239.07150	1.2
239.10626	1.1
247.09639	28.5
247.30806	1.1
248.08138	2.0
248.10400	6.2
249.09221	2.3
251.07047	2.5
253.05084	1.4
253.08594	3.1
261.09152	2.1
263.07184	3.3
263.10562	1.3
264.07803	3.4
265.08630	3.5
267.06583	3.0
267.10117	2.8
268.07257	1.4
269.08096	2.0
270.08578	1.3
276.07791	1.7
277.08655	2.4
278.09283	2.6
279.06522	4.4
279.10123	3.4
280.07394	3.5
281.08054	6.0
282.08868	3.6
283.09897	1.2
285.07748	1.5
289.08517	2.4
290.09341	1.5
291.06570	2.5
291.10028	2.9
293.08057	4.6
293.11502	1.9
294.08890	6.6
295.06299	1.4
295.09613	4.0
295.12802	1.2
296.10077	1.2
297.07538	2.4
299.05539	1.4
301.07095	1.9
305.08127	4.3
306.08792	5.0
307.09503	3.3
308.06747	2.3
308.10156	1.8
309.07587	3.8
309.11002	2.4
310.08298	4.1
311.09033	5.9
312.09964	1.9
313.07291	2.4
313.10675	2.1
314.04361	1.7
314.07855	4.6
317.07944	1.7
318.08813	1.3
319.09601	2.9
320.06808	1.8
320.10284	2.7
321.07465	3.6
321.11230	6.2
322.08313	4.8
322.11819	1.9
323.05762	1.6
323.09219	8.4
324.09900	2.2
325.06949	2.7
325.10754	7.6
327.08673	2.2
328.09512	4.6
332.10483	1.7
333.07568	4.0
333.11172	1.6
334.08319	3.9
335.09204	7.3
335.12592	1.8
336.09988	5.6
337.07010	4.2
337.10736	10.5
337.14459	1.9
338.07782	3.1
338.11673	2.9
339.08685	3.6
340.09457	2.1
343.11838	5.6
347.09042	2.2
347.12936	2.1
348.09824	3.0
349.10675	7.6
349.14212	1.4
350.11578	1.5
351.08627	10.5
351.12378	2.8
352.09406	4.7
353.10184	8.3
353.13837	1.6
354.10916	2.1
355.15424	3.8
357.13437	2.1
359.12796	1.8
360.09760	1.4
361.10516	1.6
362.15292	1.9
363.12457	3.9
365.10233	7.2
366.10880	11.5
367.11832	17.4
368.12537	3.2
370.10361	11.3
371.10773	1.4
373.14310	3.2
375.12189	2.7
377.17438	1.7
379.11578	1.6
380.12592	6.4
381.13278	17.5
382.14191	7.4
383.11206	4.7
384.11902	3.5
385.12796	33.3
386.13080	2.1
387.17914	5.2
390.14517	2.5
393.13107	1.9
395.14807	11.4
396.15375	1.5
397.12665	7.3
398.13510	7.8
399.14236	2.8
400.15100	13.8
405.16971	10.7
406.17648	2.8
408.15610	3.3
413.15817	11.0
414.16608	1.6
419.18439	2.3
423.17828	4.0
427.17447	3.5
433.27634	1.8
437.19693	17.9
438.20392	19.4
439.20850	2.5
469.22867	50.9
470.23126	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	0.1
53.03709	0.1
53.03949	1.4
54.04283	0.1
55.01878	0.1
55.05511	68.6
56.05849	1.1
57.07074	0.1
67.05507	0.1
69.03453	0.1
69.07066	0.2
71.30392	0.1
79.05483	0.1
81.07029	0.4
82.94051	0.1
83.04980	100.0
84.05305	1.7
87.08105	0.1
91.05492	0.2
93.07044	0.1
95.04969	0.1
95.08593	0.1
96.08087	0.1
103.05541	0.1
105.07011	0.2
106.37968	0.1
107.08597	0.1
109.06507	0.2
109.10201	0.1
112.21227	0.1
115.05469	0.1
117.06973	0.1
119.08573	0.2
121.06517	0.1
121.10128	0.1
123.04422	0.1
123.08037	0.1
123.11658	0.1
125.06055	0.1
131.08533	0.1
133.10141	0.1
135.08040	0.2
137.05965	0.2
139.07542	0.1
141.06918	0.1
142.07787	0.1
143.08516	0.2
145.06499	0.1
145.10054	0.1
147.08046	0.1
147.11656	0.1
149.06006	0.2
149.09572	0.1
157.06454	0.1
157.10080	0.1
158.07292	0.1
159.08063	0.2
159.11665	0.1
161.09604	0.2
165.06938	0.1
167.07037	0.5
167.08376	0.1
169.10046	0.1
171.11580	0.1
173.06012	0.1
173.09625	0.2
174.06744	0.1
178.09421	0.1
181.07018	0.1
181.08549	0.3
181.09929	0.1
182.07240	0.1
183.08087	0.1
184.05289	0.1
185.13121	0.1
186.06775	0.2
187.07515	0.1
188.08330	0.1
189.05438	0.1
189.09082	0.1
190.06259	0.1
191.08710	0.1
191.10590	0.1
195.08134	0.1
195.10135	0.2
197.09566	0.1
199.14877	0.1
200.40836	0.1
201.09052	0.1
201.12881	0.1
204.07822	0.5
205.08589	0.3
207.07973	0.1
207.11624	0.1
209.09682	0.1
210.06746	0.1
211.07436	0.3
211.11105	0.1
214.06200	0.1
215.07018	0.1
217.08589	0.1
219.08191	0.1
219.10123	0.3
220.08713	0.1
221.05901	0.1
221.09584	0.1
223.07570	0.1
224.08179	0.1
225.09068	0.3
227.07014	0.2
228.07704	0.1
232.07256	0.2
233.07874	0.4
235.07594	0.1
235.11143	0.1
236.08292	0.1
237.09042	0.2
238.06236	0.1
238.09660	0.1
239.06987	0.2
239.10571	0.1
240.07822	0.1
241.04959	0.1
241.08528	0.1
242.09387	0.1
243.06429	0.1
247.07529	0.1
247.09634	1.2
248.08182	0.2
248.10501	0.3
249.09015	0.2
250.09639	0.1
251.06932	0.1
251.10541	0.1
252.07730	0.2
252.11432	0.1
253.04768	0.1
253.08638	0.3
254.09389	0.1
255.06366	0.1
256.07281	0.2
257.07950	0.1
261.09088	0.1
262.09714	0.1
263.07120	0.1
263.10602	0.2
264.07718	0.2
265.08606	0.5
266.05768	0.1
266.09192	0.1
267.06491	0.3
267.10065	0.2
267.13757	0.1
269.04611	0.1
269.08051	0.1
269.11566	0.1
270.08838	0.1
271.09537	0.1
272.06870	0.1
273.08829	0.1
276.07852	0.1
277.08698	0.3
278.09296	0.3
279.06982	0.1
279.10049	0.4
279.12842	0.1
280.07394	0.1
280.10825	0.3
281.07993	0.4
281.11584	0.2
282.08792	0.2
283.05966	0.1
284.06723	0.2
285.07507	0.2
285.11142	0.2
287.05771	0.1
287.08899	0.1
290.09326	0.1
291.06805	0.1
291.10062	0.3
292.07260	0.1
292.10950	0.2
293.07977	0.4
293.11606	0.3
294.08694	0.3
294.11823	0.1
295.06134	0.1
295.09561	0.3
295.13187	0.6
296.06918	0.1
296.10092	0.1
296.13773	0.1
297.07562	0.1
297.11133	0.2
298.08282	0.3
299.09177	0.4
302.07861	0.2
303.08667	0.2
304.09378	0.2
305.07892	0.2
305.11374	0.1
306.08704	0.2
307.06320	0.1
307.09674	0.5
308.06973	0.1
308.10303	0.3
309.07474	0.1
309.11111	0.4
310.08218	0.2
311.09070	0.1
312.13489	0.1
313.10669	0.9
314.11322	0.1
315.09058	0.1
316.09567	0.1
317.10156	0.3
318.11084	0.3
319.09485	0.1
320.06671	0.1
320.10281	0.1
321.07642	0.1
321.11154	0.4
322.08112	0.1
322.11722	0.1
323.08990	0.3
323.12677	0.7
324.09698	0.1
324.13281	0.2
325.10538	0.5
325.14246	0.1
326.11261	0.1
327.12280	0.1
327.15829	0.2
330.11371	0.1
331.11914	0.4
333.07391	0.2
333.11108	0.1
334.08167	0.1
335.08997	0.3
335.12634	0.1
336.09790	0.1
337.06812	0.1
337.10577	0.5
338.11176	0.1
339.08475	0.2
339.12170	0.3
340.12915	0.2
341.13644	0.2
344.12704	0.1
345.13489	0.6
347.08826	0.2
347.12527	0.1
348.09723	0.1
348.13550	0.1
349.10657	0.4
350.11285	0.1
351.08423	0.4
351.12247	0.2
352.09338	0.1
353.09915	0.2
353.13733	0.3
354.10721	0.1
354.14603	0.1
355.15396	1.9
356.16119	0.4
357.13446	0.4
357.17014	0.1
358.12027	0.1
361.10321	0.1
363.12106	0.2
365.10092	0.3
366.10883	0.5
367.11691	0.5
368.12418	0.1
369.12991	0.1
371.14838	0.5
372.15582	0.3
373.14209	0.1
374.14963	0.1
375.11981	0.2
376.13065	0.1
377.17072	0.1
380.12646	0.4
381.13303	0.8
382.13983	0.5
383.11014	0.2
385.12427	0.2
385.16522	0.2
387.18018	3.6
388.18170	0.2
390.14398	0.1
391.15231	0.1
393.13187	0.2
394.13522	0.1
395.14856	0.5
396.15366	0.1
397.12512	0.3
398.13446	0.4
399.14087	0.2
400.15118	0.6
401.15393	0.1
405.16876	0.6
406.17377	0.2
408.15656	0.1
409.20013	0.1
413.15842	0.5
414.16360	0.1
419.18103	0.1
422.17200	0.1
423.17484	0.2
427.17242	0.1
437.19571	1.1
438.20352	0.9
439.20398	0.1
451.20480	0.1
451.25485	0.1
454.19589	0.1
469.21957	2.7
470.22507	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.1
55.05513	64.5
56.05856	0.8
64.67014	0.2
67.05499	0.7
69.03437	0.3
69.07075	0.6
71.30511	0.4
73.54543	0.2
79.05488	0.5
81.07077	1.1
83.04984	100.0
83.92702	0.2
84.05310	1.4
91.05471	0.5
93.07051	1.0
95.08624	1.4
105.07042	0.7
107.08590	0.7
108.23620	0.2
109.06494	0.3
109.10153	0.7
109.75560	0.2
111.08125	0.3
111.71574	0.2
113.05996	0.2
119.08591	1.0
121.10136	0.5
123.08069	0.3
124.60002	0.2
129.07005	0.3
131.08565	0.3
131.98843	0.2
133.10121	0.9
135.08063	0.3
135.11714	0.3
143.08632	0.3
145.10121	0.9
147.11613	0.5
149.09683	0.2
155.08527	0.5
159.11691	0.6
161.09668	0.3
167.07008	0.3
169.10115	0.3
171.11745	0.5
173.09613	0.3
173.13261	0.4
175.11143	0.2
183.08051	0.3
185.13278	0.3
197.13330	0.2
209.98927	0.2
215.14227	0.2
219.10107	0.7
225.09079	0.5
231.11713	0.2
237.09122	0.3
238.06290	0.2
249.08945	0.3
253.08539	0.4
263.10635	0.3
265.08530	0.4
267.06577	0.6
270.08615	0.3
271.06100	0.3
279.10031	0.4
281.07898	0.4
281.11652	0.3
282.09006	0.3
293.07861	0.2
295.13120	0.7
297.11197	0.2
298.08295	0.5
299.08997	0.5
303.08612	0.4
308.10474	0.4
309.11127	0.3
313.10669	1.5
318.10837	0.6
323.12717	1.1
324.13321	0.4
325.10828	0.5
325.14398	0.2
327.15720	0.4
331.11655	0.6
345.13214	1.1
355.15396	2.2
356.15921	0.5
371.14764	0.6
372.15472	0.3
385.16327	0.4
387.18033	6.9
388.18225	0.6
400.14798	0.2
427.17093	0.3
433.27094	0.7
437.19348	0.4
451.28143	0.3
469.22510	1.2
469.28757	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.3
53.96533	0.8
55.05513	82.7
56.05842	1.9
57.07067	2.2
67.05512	5.3
69.07069	5.4
70.82113	1.2
71.08646	0.9
73.06554	1.1
79.05499	4.2
81.07056	8.4
83.04981	100.0
83.08628	1.3
83.92729	0.9
84.05296	2.7
84.39292	0.8
85.06514	0.9
86.75714	1.0
87.08089	0.9
89.06030	1.8
91.05491	4.4
93.07051	8.0
95.04996	1.0
95.08601	10.2
97.06536	1.7
99.08126	1.2
105.07037	7.1
107.08604	8.0
109.06541	1.8
109.10139	5.2
111.08073	1.0
115.07549	1.9
117.07037	1.8
119.08571	7.1
121.06494	1.7
121.10161	4.3
123.08099	1.9
123.11727	1.7
129.07019	1.2
131.08522	4.1
133.10121	5.6
135.08057	2.4
135.11696	3.1
137.09486	1.1
141.09119	1.6
143.08566	2.7
145.10133	4.9
147.08023	1.2
147.11697	3.6
149.05914	1.3
149.09608	1.0
149.13254	1.1
157.10129	4.3
158.07324	1.2
159.08041	1.2
159.11761	5.0
159.12930	1.0
161.05992	1.4
161.09555	1.7
161.13268	6.6
163.11189	1.1
167.07033	3.1
167.10637	1.0
169.10188	1.9
171.11696	3.4
173.09624	1.8
173.13293	3.1
174.10268	0.9
175.11214	1.8
177.12679	0.9
181.08615	3.0
183.11703	1.7
185.13271	2.1
186.06770	2.5
187.07530	1.5
187.11255	1.0
187.14740	2.0
195.10144	2.0
195.11725	1.2
197.13301	1.2
199.14824	1.8
201.09079	1.3
204.07845	4.8
205.08585	2.8
210.07001	1.0
215.14201	1.1
217.08437	1.1
219.10139	2.2
220.11011	1.3
221.13255	0.9
225.09109	0.9
232.07274	1.1
233.08003	5.8
233.15494	1.1
239.07140	1.1
241.19548	0.9
247.09630	10.6
248.10390	3.2
263.07169	0.9
264.07828	1.3
265.08679	1.4
267.06674	1.0
269.18900	1.0
278.09424	1.5
279.06555	0.9
279.09958	1.7
291.06311	1.3
292.07431	1.4
292.10843	1.1
293.08084	2.6
293.11453	1.3
294.08835	2.0
295.06384	0.9
295.09683	2.8
295.13235	1.3
301.21277	1.2
305.08008	2.0
305.11462	1.3
306.08838	2.5
307.09491	2.2
308.06958	1.5
308.10297	1.4
309.07687	1.2
309.11249	2.4
310.08102	2.0
313.10797	1.2
319.09735	2.3
320.10254	1.7
321.07501	2.0
321.11172	3.7
323.09256	3.9
323.12549	1.3
324.06332	1.0
324.09869	1.5
325.10916	2.0
333.07816	1.3
334.08423	1.4
335.09299	1.8
336.09793	1.2
337.07077	1.4
337.10587	4.0
338.07648	1.2
339.08441	2.2
339.12415	2.1
347.12738	1.8
348.09802	1.8
349.07050	1.0
349.10681	5.3
350.11719	0.9
351.08527	4.9
351.12357	1.9
352.09085	2.1
353.10135	3.2
353.13934	1.2
354.10889	1.6
355.15414	2.3
363.12277	3.0
365.10211	4.0
366.11169	3.9
367.11850	6.8
368.12741	0.9
369.13199	1.1
373.14319	1.7
375.12000	1.3
377.17685	1.4
380.12576	3.1
381.13254	8.0
382.14063	4.6
383.11215	2.7
385.12921	2.6
387.17969	5.9
390.14502	1.0
390.78189	0.9
391.15271	1.4
393.13126	0.9
395.14844	3.8
397.12653	3.6
398.13553	4.1
399.13986	1.1
400.15128	6.6
401.15469	1.7
401.28030	1.4
405.16916	4.8
406.17422	1.4
413.15787	5.1
419.18521	1.2
419.29562	1.6
423.17972	2.3
433.30975	1.0
437.19687	9.0
437.30051	1.5
438.20395	10.2
451.31754	2.4
469.22281	24.0
469.32602	13.9
470.22403	2.5
470.33139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35102	0.2
53.03947	2.4
55.05511	71.0
56.05843	1.1
56.37476	0.2
81.07044	0.2
83.04981	100.0
84.05305	1.7
91.05453	0.3
112.39806	0.2
119.08602	0.2
131.08598	0.2
132.46236	0.2
136.19072	0.2
137.05957	0.3
146.30693	0.2
167.07051	0.4
170.87256	0.2
178.86246	0.2
181.08636	0.3
186.06792	0.3
204.07851	0.5
205.08591	0.2
219.10114	0.3
225.09041	0.3
233.08038	0.6
239.06915	0.3
243.06392	0.2
247.09595	1.3
248.10381	0.4
253.08485	0.5
256.07382	0.3
264.07782	0.3
265.08554	0.4
267.13455	0.2
270.08981	0.3
277.08450	0.3
278.09299	0.3
279.10059	0.4
280.10876	0.3
281.08072	0.3
291.09988	0.3
293.07993	0.7
294.08725	0.4
295.09686	0.2
295.13086	0.5
297.11243	0.3
298.08304	0.3
299.09045	0.4
305.08096	0.3
307.09512	0.4
308.10278	0.3
309.07465	0.3
310.08212	0.3
311.09070	0.3
313.10684	0.6
321.11096	0.4
323.12582	0.7
325.10678	0.2
331.11475	0.3
337.10583	0.4
338.11411	0.3
339.12082	0.3
345.13318	0.8
349.10736	0.4
351.08395	0.3
351.12247	0.3
353.13922	0.2
355.15411	2.1
356.15887	0.5
357.13269	0.3
363.12054	0.3
366.10873	0.4
367.11636	0.6
371.14783	0.5
372.15424	0.4
379.76541	0.2
380.12057	0.4
381.13004	0.8
382.13763	0.4
385.16345	0.3
387.18030	3.6
388.18268	0.3
390.14456	0.2
395.14972	0.3
398.13449	0.4
400.15002	0.5
405.16714	0.7
406.17252	0.3
413.15762	0.4
419.18573	0.3
423.17612	0.3
437.19443	1.0
438.20047	0.9
451.20825	0.2
469.16595	0.2
469.22220	3.1
470.22516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.05511	64.5
56.05841	1.0
67.05503	0.9
69.07050	0.8
69.87807	2.4
69.88218	1.3
79.05520	0.6
81.07061	1.2
83.04980	100.0
84.05316	1.7
91.05486	1.4
93.07003	1.2
95.08610	1.5
105.07051	1.0
107.08590	1.3
109.10147	1.5
119.08588	1.3
123.04386	1.1
123.08038	0.9
131.08563	1.6
133.06528	0.9
143.08505	1.0
145.10120	1.2
150.46114	0.7
157.10149	1.0
159.11650	1.3
161.13271	0.8
165.09157	0.7
167.07115	0.9
169.10059	1.0
170.54893	0.7
183.11685	0.9
214.41623	0.7
245.59625	0.9
247.09775	1.0
249.09128	0.8
262.12042	2.2
263.10767	0.9
266.46603	0.9
299.08969	1.4
307.09872	1.2
309.10907	0.8
313.10614	0.9
317.13818	1.1
322.08069	0.9
323.08960	0.9
323.12869	1.0
333.08041	0.9
351.08856	0.8
355.15424	2.8
369.17108	3.6
380.12717	0.8
381.13129	1.1
383.11261	1.4
387.18042	4.0
406.18204	0.8
413.15857	1.1
427.17035	0.8
437.19296	1.8
451.17163	0.8
451.24344	1.2
469.14993	7.4
469.22345	5.2
470.15408	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
55.01860	1.1
55.05512	72.6
56.05828	1.3
57.07075	2.0
67.05505	5.2
69.07049	2.3
71.08630	1.0
71.31554	1.1
79.05482	2.4
81.07063	6.9
81.25784	0.9
82.07375	0.8
83.04982	100.0
83.08652	1.4
84.05299	2.6
85.06510	1.1
89.06012	1.8
91.05470	2.6
93.07056	5.6
95.04975	1.0
95.08602	7.6
105.07014	5.1
107.08590	5.8
109.10146	5.0
111.08127	1.4
117.07048	1.1
119.08563	5.4
121.06449	1.2
121.10146	5.4
123.08105	1.7
123.11761	1.6
128.06052	1.0
130.07776	0.9
131.08565	1.9
133.08606	1.3
133.10127	4.1
135.11670	1.8
137.09560	0.9
139.07501	1.0
143.08572	2.2
145.10118	4.1
146.10515	1.0
147.11693	2.9
149.13228	1.4
155.10612	0.9
157.10098	2.1
159.11642	3.7
161.09615	1.3
161.13319	2.1
163.11090	1.0
171.11720	1.9
173.13242	1.8
175.14787	1.3
183.11806	1.1
185.13289	1.4
187.03787	1.5
187.14799	1.1
197.13181	1.0
199.14874	1.2
201.16411	1.0
211.95270	1.0
213.16324	1.0
217.15840	1.1
233.15337	1.4
245.15425	1.0
329.24652	1.4
355.15390	2.2
387.18042	2.9
433.30890	2.1
451.32080	2.5
457.86676	1.0
469.22638	1.0
469.32806	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58233	0.2
53.03952	1.8
55.05514	59.2
56.05848	1.1
56.67442	0.3
57.07077	0.9
60.69855	0.3
65.03938	0.3
67.05505	4.1
67.89832	0.3
69.07059	1.7
79.05494	2.5
81.07060	6.3
83.04984	100.0
83.08611	0.8
84.05312	2.2
85.06545	0.3
87.04459	0.4
87.73833	0.4
87.79710	0.3
89.06038	4.5
90.06371	0.6
91.05479	3.3
93.07050	6.1
95.04958	1.1
95.08609	11.0
97.06538	1.0
97.10195	0.5
104.94631	0.3
105.07026	6.9
107.08596	7.9
109.06541	0.8
109.10159	4.0
111.04421	0.3
111.08083	1.1
113.06006	0.7
117.07047	0.9
119.07772	0.5
119.08591	7.5
121.06494	0.6
121.10146	4.8
123.08085	1.3
123.11715	2.3
125.09624	0.6
129.06989	0.8
131.08569	2.9
133.08624	2.0
133.10130	5.3
135.08052	1.2
135.11678	1.9
137.09712	0.3
141.09154	0.4
142.07773	0.5
143.08542	1.6
144.09329	0.4
145.10136	3.5
147.08000	1.0
147.11682	3.1
149.09610	0.9
149.13260	0.9
153.09140	0.8
155.08563	0.9
156.09369	0.4
157.10130	2.3
158.10873	0.5
159.07970	0.6
159.11705	4.0
161.09636	0.9
161.13251	5.3
163.11168	0.5
165.09143	0.8
167.10638	0.4
169.10069	1.0
171.11693	1.9
173.09593	0.9
173.13260	3.4
175.11194	1.0
175.14865	2.0
177.11272	0.5
179.10678	0.7
183.11722	0.7
185.13223	1.5
187.11163	0.6
187.14833	1.9
189.12711	0.7
189.16399	1.2
191.10663	0.5
191.14328	0.8
195.12016	0.4
197.13293	0.8
199.14827	1.4
201.12743	0.7
201.16345	1.4
203.14330	0.8
207.13693	0.4
209.15509	0.4
211.14754	0.5
213.16315	0.8
215.14336	1.0
217.12184	0.3
217.15819	1.2
219.13800	0.6
221.15353	3.2
223.11203	0.3
227.07182	0.4
229.15872	0.5
231.13855	0.4
231.17351	0.5
233.15463	1.6
235.16852	2.7
247.17039	2.5
249.18492	0.6
283.17511	1.4
284.17874	0.4
287.20145	0.4
327.23105	0.5
339.35614	0.3
341.24570	0.4
385.16141	0.4
387.17868	0.6
409.30722	0.4
415.29776	0.4
423.32443	1.0
433.30951	2.2
451.32227	3.1
452.32181	0.3
469.21783	0.3
469.33316	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	4.3
53.03944	8.1
53.43404	3.0
55.05512	22.7
57.03450	4.0
57.33693	2.8
57.37857	2.5
59.04992	8.8
59.50623	2.6
61.03798	3.0
65.03933	4.7
67.05503	37.5
69.03423	7.7
69.07078	16.2
69.15537	2.9
69.79736	6.9
69.80133	6.9
71.05002	4.8
76.05485	3.3
78.18466	2.8
79.05494	24.2
81.07060	49.1
83.04981	36.7
83.08599	6.4
85.06547	6.4
91.05470	43.8
93.07039	59.5
95.04987	23.0
95.08607	95.4
97.06527	12.2
97.10203	4.4
99.04474	3.2
103.05487	4.2
105.04495	3.1
105.07034	66.6
107.05021	4.2
107.08599	48.8
109.06525	16.8
109.10147	30.9
111.04424	16.7
111.08061	12.3
115.05461	6.3
117.07003	19.4
117.43151	2.6
119.08576	61.2
121.06512	21.6
121.10139	33.7
123.08070	26.5
123.11711	23.2
125.09608	8.7
128.06219	10.7
129.07011	19.5
131.08565	39.8
132.08968	3.5
133.06512	9.4
133.10124	47.4
135.08069	15.5
135.11697	17.0
137.05977	7.3
137.09595	6.6
139.07544	4.5
139.11099	5.2
141.06952	7.5
141.09091	5.2
142.07788	8.9
143.08546	32.0
144.09248	4.9
145.06497	8.0
145.10118	47.4
147.07997	20.6
147.11678	24.2
149.09608	14.3
149.13225	5.9
151.07567	4.0
153.06882	4.7
155.08525	15.6
156.09286	7.6
157.06531	4.0
157.10121	34.1
158.07240	3.6
159.08012	20.7
159.11713	39.3
161.06023	3.6
161.09622	14.6
161.13260	34.2
163.07597	5.0
163.11159	9.4
165.06984	7.5
165.09067	3.8
166.07672	4.2
167.08510	9.7
168.09357	3.5
169.06493	4.0
169.10141	18.7
170.10759	4.4
171.08061	12.9
171.11690	28.4
172.08711	4.2
172.12094	3.9
173.09674	15.2
173.13268	22.4
175.07469	4.6
175.11261	14.4
175.14841	12.5
176.24919	3.2
177.09106	5.5
177.16393	3.3
178.07895	5.1
179.08571	10.0
179.10663	3.7
180.09314	6.3
181.10138	13.1
182.10924	5.0
183.08118	4.6
183.11659	22.3
184.12434	3.5
185.05981	9.7
185.09592	18.0
185.13264	14.4
187.07571	11.5
187.11214	20.1
187.14857	10.0
189.05455	3.5
189.09132	5.9
189.12802	14.8
189.16383	5.9
191.14377	5.6
192.09351	3.9
193.10103	17.0
194.10890	6.7
195.07980	6.4
195.11665	20.5
196.08841	3.2
197.05975	5.1
197.09682	12.3
197.13300	21.8
198.10312	3.9
199.07521	3.8
199.11176	16.9
199.14819	22.0
201.09149	4.8
201.12753	13.5
201.16367	10.8
203.06905	4.6
203.14250	5.5
205.10234	6.3
205.12123	5.9
206.10893	5.8
207.09964	3.8
207.11691	13.8
207.13545	4.2
209.09653	9.8
209.13268	15.2
210.10451	5.4
211.11122	33.2
211.14746	8.2
213.09117	10.5
213.12726	17.5
213.16365	7.3
215.10631	4.6
215.14348	7.6
217.12177	3.7
217.15793	7.9
218.10851	4.3
219.11705	7.9
219.13687	6.6
219.17409	7.1
220.12418	3.5
221.09598	6.6
221.13220	10.6
221.15210	4.7
222.10497	4.2
223.07556	6.2
223.11209	8.4
223.14780	9.6
224.08133	4.3
225.09187	8.0
225.12717	13.8
225.16377	7.6
227.10747	19.2
227.14336	8.8
229.12308	12.9
229.15855	5.1
231.13734	4.1
232.12340	3.7
233.09682	4.4
233.13268	9.0
233.15309	4.4
235.11153	10.8
235.14795	8.4
236.12016	4.6
237.09045	8.5
237.12772	14.4
237.16498	5.3
239.10724	27.7
239.14369	9.5
239.17920	3.5
241.12231	7.3
241.15967	4.0
241.19489	9.5
244.12456	4.8
245.11456	3.5
247.11147	4.8
247.14796	8.7
247.17039	5.3
249.12683	10.7
249.16394	10.1
251.10667	8.6
251.14297	10.9
253.12228	8.5
253.15999	5.0
253.19382	4.8
255.10083	6.9
255.13730	5.1
255.17455	4.9
257.11667	6.3
261.12695	7.4
261.15961	4.3
263.14319	9.7
264.11145	4.1
265.12247	9.3
265.15787	12.3
267.13712	7.1
267.17297	3.9
275.14273	8.4
275.17599	5.1
277.12341	5.1
277.15784	7.9
279.13800	12.0
281.15353	5.3
281.18961	3.2
283.13348	7.8
283.24097	5.2
289.15744	3.8
291.13812	6.4
291.17224	5.3
293.15369	22.5
293.18240	3.7
293.22586	3.8
295.13104	3.8
295.17032	5.6
301.15836	7.4
305.19003	5.9
311.16479	17.8
311.20062	5.0
311.23563	18.9
319.16913	23.3
323.19983	8.4
323.27295	4.7
337.17963	11.1
341.28247	14.9
357.18484	6.3
369.22192	9.4
369.28009	10.9
373.17862	6.2
387.22974	18.8
391.18848	8.8
393.20346	5.8
397.21573	19.2
405.24237	34.9
406.24741	3.9
407.21844	4.8
409.27704	4.2
415.22656	37.7
416.23090	6.3
423.25052	11.8
425.23267	6.2
433.23541	66.2
433.29623	4.4
434.23880	5.2
451.24420	77.7
451.30869	4.7
451.32605	4.1
452.25040	9.4
469.25851	100.0
469.32886	16.3
470.26276	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47479	2.6
52.07361	2.7
62.19664	2.6
67.05498	3.6
68.40902	2.3
69.16576	20.6
81.07054	3.3
83.59771	2.9
84.11933	2.5
95.08600	8.3
98.22739	7.5
105.06996	2.8
107.08521	3.8
109.10114	5.0
121.10088	3.0
127.57235	3.3
161.08594	2.5
169.81621	2.7
200.24617	3.0
203.01071	67.5
352.29596	2.6
469.30811	100.0
470.31067	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31818	0.5
53.03944	0.6
55.05515	6.8
57.07059	1.1
67.05508	4.1
69.07063	3.2
79.05494	1.3
79.73542	0.6
81.07050	4.8
83.04982	7.1
83.08596	1.9
84.05318	0.6
85.06526	0.5
89.06013	0.9
91.05479	1.9
93.07053	3.7
95.04946	0.8
95.08601	5.4
97.10141	1.6
105.07017	4.4
105.48981	0.5
107.08595	5.1
109.06458	0.7
109.10155	5.0
117.07030	0.7
119.05859	0.5
119.08598	3.9
121.10140	3.7
123.08035	1.4
123.11696	1.5
125.09611	0.9
128.06235	0.7
129.06992	0.9
131.08562	2.6
133.10117	3.1
135.08046	0.8
135.11678	1.7
137.09630	0.8
137.13200	0.7
143.08481	0.9
145.10129	3.4
147.11668	2.0
149.09625	0.8
149.13258	1.2
155.08507	0.7
157.10118	1.7
159.11670	2.4
161.09575	1.1
161.13277	1.6
163.11234	0.9
169.10153	0.8
171.11714	1.8
173.09645	1.0
173.13310	2.1
175.11160	0.7
175.14810	1.0
183.11694	0.6
185.13235	1.7
187.03659	100.0
187.14851	1.6
188.03958	3.7
189.12660	0.6
189.16319	1.1
199.14816	1.1
201.16345	1.4
205.04762	1.2
205.08649	0.7
209.13329	0.7
211.14993	0.8
213.16278	0.6
215.14207	0.7
217.16141	0.6
223.14671	0.7
228.06256	2.6
305.28119	1.8
337.24625	0.6
425.30014	0.6
469.32797	46.0
470.33200	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3313
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03953	5.6
54.69070	4.5
55.05515	25.9
61.68417	4.7
63.20513	4.3
67.05502	33.3
69.07061	21.1
69.70149	20.8
79.05489	41.4
81.07055	74.7
81.96517	4.9
82.53475	4.3
83.04979	19.8
83.08623	10.6
88.69057	4.9
91.05472	41.3
93.07034	77.3
95.04982	15.1
95.08607	100.0
97.06542	14.6
99.04437	6.1
105.07027	74.5
107.08588	84.9
108.08907	4.7
109.06540	8.6
109.10149	41.0
111.04434	12.5
111.08098	11.9
111.98349	4.7
113.06008	4.8
117.07025	14.6
119.08569	76.5
121.06521	13.5
121.10138	70.5
123.08062	16.8
123.11735	19.6
125.09576	6.4
131.08566	37.8
133.10127	68.0
135.08061	17.2
135.11641	33.3
139.07599	5.9
141.09074	4.5
143.08554	22.5
145.10118	64.6
147.08003	11.0
147.11668	38.0
149.09576	10.0
149.13251	17.0
151.15114	4.7
153.09116	8.1
155.08569	7.4
156.09340	8.1
157.10143	33.1
158.10690	4.9
159.08049	10.2
159.11673	45.6
161.09666	23.7
161.13251	21.9
162.16919	4.5
163.11197	13.0
167.10783	7.2
169.10181	10.8
171.11732	30.6
173.09607	14.7
173.13235	37.2
175.11229	16.4
175.14861	22.0
177.09155	6.3
177.16341	5.6
179.10649	12.6
181.10075	5.3
181.12242	12.3
183.11707	13.4
185.13171	24.6
186.13684	4.9
187.11159	6.0
187.14853	19.8
189.12708	11.4
189.16327	12.6
191.14380	7.9
195.13771	6.2
197.13272	9.8
199.11229	5.2
199.14905	13.9
201.12781	15.4
201.16405	13.0
203.14383	9.3
209.15269	7.9
211.14706	6.7
213.12767	11.8
213.16341	13.4
215.14377	18.1
215.18082	7.4
217.15804	15.4
221.15344	12.0
225.16307	9.9
227.14355	7.2
229.15833	7.0
231.17456	15.3
233.15472	9.6
235.16934	14.3
241.15901	5.0
245.15410	5.8
247.16937	8.6
249.18547	19.8
259.17078	6.2
261.18356	5.6
273.18451	6.7
277.15799	5.3
311.23672	11.1
329.24701	12.9
381.46066	5.8
405.31293	8.2
415.30090	11.3
423.32379	12.1
433.31067	48.6
451.32053	54.7
452.32443	6.6
469.32809	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3315
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03949	2.9
55.01875	2.5
55.05515	18.6
57.03429	1.1
57.07075	4.0
58.02655	1.1
60.16322	1.1
62.55696	1.2
65.03940	3.0
67.05508	39.8
69.03433	11.3
69.07071	18.3
69.51646	7.4
71.05004	5.5
75.04486	1.4
79.05489	22.2
79.05914	2.1
81.07059	51.0
83.04996	10.5
83.08629	8.5
85.06543	3.0
91.05482	23.0
93.07047	50.9
95.04965	10.3
95.08611	100.0
96.08935	1.9
96.50603	1.3
97.06535	8.4
97.10190	4.2
98.23324	1.7
99.04479	3.1
99.08122	1.8
103.05493	2.4
105.07035	52.0
107.04967	1.5
107.08597	59.9
109.06548	4.6
109.10159	35.0
111.04435	1.2
111.08076	8.3
113.06004	8.4
115.05437	1.9
115.07581	1.5
115.24688	1.3
117.07008	13.8
119.08587	65.8
120.08917	1.7
121.06520	5.7
121.10149	48.7
123.08070	19.2
123.11716	22.6
125.09600	6.9
127.07578	2.7
128.06227	2.7
129.07022	6.1
130.07825	2.6
131.08571	30.9
133.06514	4.2
133.10132	48.1
134.10764	1.2
135.08073	7.3
135.11688	28.8
135.12675	2.1
137.09641	2.6
137.13303	3.5
139.07553	5.2
139.11224	2.7
141.07018	2.5
141.09132	9.4
142.07814	3.8
143.08549	17.9
144.09384	2.0
145.06418	2.5
145.10123	38.4
146.10483	2.4
147.08049	9.9
147.11684	27.5
147.12749	2.2
147.55222	1.3
149.09645	7.3
149.13257	10.1
151.07584	1.9
151.11217	1.4
153.09103	3.6
155.08592	4.4
156.09325	1.7
157.10132	21.2
158.10875	3.7
159.08115	7.4
159.11699	32.0
161.09625	15.1
161.13260	38.8
162.13826	1.3
163.07503	2.0
163.11157	6.4
163.14830	2.0
165.09172	4.8
167.10699	3.4
168.09245	1.2
169.10165	5.8
170.10913	1.5
171.11665	15.5
172.12357	2.1
173.09613	9.8
173.13268	30.3
175.11224	12.1
175.14803	15.8
177.09149	5.7
177.12779	2.7
177.16360	2.6
179.08723	1.3
179.10738	5.6
181.10147	1.3
181.12315	5.2
182.10869	1.9
183.11745	5.7
185.09663	2.1
185.13257	12.9
187.11221	6.8
187.14833	16.6
189.12758	5.1
189.16368	8.0
191.10751	4.7
193.12334	3.5
195.11824	2.7
195.13820	4.0
197.13290	8.4
199.11212	4.1
199.14766	9.4
200.15279	1.3
201.12689	7.9
201.16376	6.8
203.10716	1.8
203.14365	5.6
203.18071	2.0
205.12318	3.7
205.15988	2.1
207.11842	1.8
207.13889	4.4
208.12529	1.3
209.13376	2.4
209.15393	3.0
211.11205	1.3
211.14871	5.2
213.12857	3.5
213.16425	6.8
215.14296	7.2
215.17999	3.3
217.12335	2.2
217.15886	8.2
219.13748	8.8
221.15350	14.3
223.14917	2.3
225.12634	2.4
225.16377	2.2
227.14305	2.4
227.18021	2.2
229.15883	6.0
229.19611	2.3
231.13837	1.9
231.17435	2.4
233.13159	2.4
233.15364	23.2
235.14742	1.6
235.16928	31.8
237.16512	1.6
239.14496	1.6
239.17899	1.8
241.15994	1.9
243.17459	1.4
245.15427	3.3
247.16948	19.7
247.19328	1.6
249.18607	5.4
251.18019	1.7
253.16052	2.1
255.17403	2.1
259.16901	1.9
261.18649	5.6
263.17975	1.6
266.05786	2.0
267.17590	1.8
269.19046	1.8
271.16910	1.6
273.18594	4.9
275.20068	2.5
282.05447	1.5
285.18625	2.8
287.20157	5.9
289.21707	2.3
295.20508	2.1
297.07700	3.1
299.20114	2.9
301.21661	4.1
307.20679	1.5
309.18787	1.3
309.22205	1.5
311.23557	1.8
313.10834	1.9
313.21716	3.7
315.23343	2.5
323.09387	1.5
327.23276	4.4
329.24832	3.6
335.23645	1.9
337.10681	3.1
341.24872	4.6
353.24753	2.1
355.26535	2.0
365.10309	2.5
367.11588	2.3
377.24716	1.5
380.12515	2.2
381.13599	2.7
395.14996	3.6
397.12836	1.7
399.18600	1.4
400.15323	1.7
405.31586	4.1
413.16171	3.1
413.26959	1.9
415.30310	3.3
422.17664	2.1
423.32660	7.9
433.31049	16.1
434.31339	2.3
437.19785	4.7
451.32153	17.2
452.32269	1.4
469.23425	6.7
469.33258	48.7
470.22400	1.8
470.33801	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.331
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03930	3.7
55.01869	2.6
55.05250	1.8
55.05510	46.5
57.03432	2.1
57.07082	2.9
59.04998	1.8
64.89406	1.4
67.05504	29.7
69.03438	4.5
69.04960	2.1
69.05358	15.1
69.07067	15.9
71.04990	3.1
75.04455	1.5
79.05492	20.7
81.07050	48.6
83.04980	62.2
83.08627	8.0
85.06557	2.2
91.05479	22.3
93.07036	51.2
95.04979	6.9
95.08604	100.0
97.06528	9.1
97.10167	3.8
99.04443	3.4
103.05478	1.9
105.07027	43.8
107.07870	2.9
107.08595	52.9
109.06493	4.1
109.10152	38.5
111.04417	1.6
111.08086	5.9
113.06017	5.5
115.05466	1.4
115.55605	1.4
117.07027	9.5
118.74541	1.3
119.08582	58.8
121.06515	3.9
121.10143	48.3
122.10577	1.6
123.08078	13.7
123.11708	19.7
125.09633	5.1
127.07561	2.6
128.06258	2.5
129.07001	4.9
130.07822	2.3
131.08582	25.5
133.06487	3.8
133.10126	49.7
135.08073	6.5
135.11682	23.3
137.09619	3.7
137.13290	1.8
139.07535	4.0
141.07028	2.3
141.09114	9.3
142.07826	2.0
142.56696	1.8
143.08562	14.8
144.09369	1.9
145.10118	30.7
146.10724	1.6
146.99527	1.6
147.08017	9.0
147.11682	28.4
147.63719	1.5
149.09621	4.9
149.13243	8.8
151.07550	1.6
151.11201	2.0
153.09183	2.8
155.08553	3.9
156.09402	2.7
157.10129	14.1
158.10881	3.6
159.08083	5.5
159.11684	33.0
161.09641	14.5
161.13251	36.5
163.11171	5.6
163.14836	4.1
165.09122	3.2
167.10655	2.6
169.10127	5.4
171.11682	15.5
173.09622	6.5
173.13254	25.4
175.11238	10.0
175.14801	15.3
177.09109	4.8
177.12743	2.9
177.16411	1.8
179.10657	5.9
181.10193	2.1
181.12222	4.9
183.11752	5.0
185.09627	2.8
185.13235	10.2
186.09970	1.7
187.11214	7.1
187.14835	14.8
189.08937	1.7
189.12714	5.3
189.16333	8.6
191.10646	4.6
193.12189	3.6
195.11722	4.3
195.13737	3.5
197.13231	8.2
199.11209	2.2
199.14842	8.6
201.12750	6.3
201.16350	6.1
203.14355	7.8
205.12314	3.7
207.13774	4.8
209.15390	2.4
211.14850	5.1
212.28284	1.5
213.12839	2.5
213.16386	5.5
215.14287	6.4
215.17841	3.4
217.15891	7.2
219.13823	6.7
221.15364	12.2
223.14769	2.1
225.16367	3.1
227.14267	3.3
227.18062	2.4
229.15916	3.1
229.19482	1.8
233.15317	18.5
235.14731	1.4
235.16907	22.9
239.17976	1.7
241.15927	2.5
243.17328	2.1
245.15355	3.5
247.16939	14.7
249.18581	4.8
257.19122	1.9
259.17020	2.5
261.18564	4.4
267.17538	2.2
273.18533	2.1
275.20087	1.8
281.19012	2.5
287.20084	2.6
289.21658	1.7
309.22165	2.1
313.21548	2.4
327.23212	3.9
329.24832	3.3
341.24677	4.0
405.31363	3.7
415.30099	3.2
423.32590	7.1
433.31125	11.8
451.32132	13.3
469.22540	3.1
469.33218	32.7
470.33160	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3311
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03946	4.6
53.65676	2.1
55.05513	20.8
57.03421	2.8
57.07083	5.2
67.05511	31.3
69.07069	22.6
69.80685	11.3
71.04981	2.3
78.22141	2.2
79.05490	32.6
81.07056	64.0
83.04972	19.7
83.08620	11.6
84.93696	2.7
91.05486	32.7
93.07044	79.7
93.07626	4.3
95.04967	10.1
95.08606	100.0
95.32778	2.4
97.06538	10.0
97.10167	3.8
98.22674	2.9
99.04446	5.2
99.08173	2.5
100.91299	2.0
105.07026	61.3
106.07330	2.4
107.08597	81.0
109.06536	6.9
109.10152	40.4
109.10809	3.2
111.04464	8.0
111.08080	13.2
113.06040	2.8
117.07007	12.7
119.08581	76.9
120.08905	2.6
121.06528	9.7
121.10144	75.2
123.08085	11.8
123.11706	16.4
125.09642	3.4
128.06148	3.3
129.07037	8.8
130.07793	3.6
131.08582	39.6
131.83730	2.5
133.06468	4.1
133.10130	58.9
135.08072	13.8
135.11717	30.5
137.06003	3.8
137.09618	4.0
137.13234	4.7
139.07552	6.4
141.06985	3.7
141.09134	4.7
142.07790	6.7
143.08554	22.5
144.09349	3.3
144.24850	2.6
145.06517	2.6
145.10135	56.2
146.10631	2.8
147.08073	15.5
147.11697	39.4
147.12758	3.6
149.09680	5.7
149.13264	18.0
153.09102	9.0
155.08595	9.7
156.09329	3.2
157.10121	25.3
158.10849	5.2
159.08075	13.3
159.11690	50.0
159.12965	2.9
160.12274	2.7
161.09647	20.8
161.13245	26.6
162.09920	2.5
163.11174	12.7
163.14819	8.7
165.09138	2.9
167.10701	7.2
169.10104	12.5
171.11687	23.3
172.08893	5.0
173.09547	13.5
173.13269	28.4
175.11154	19.4
175.14812	19.0
177.12779	6.9
177.16380	4.4
179.10751	7.2
181.10204	5.3
181.12260	16.0
183.11681	13.8
185.09605	6.6
185.13286	22.0
187.11195	10.5
187.14798	28.4
189.12775	10.1
189.16417	12.6
191.10713	4.0
191.14343	6.9
193.12234	6.5
195.11632	6.5
195.13853	3.5
196.12393	2.7
197.13292	12.2
199.11125	4.0
199.14857	16.0
201.12720	16.2
201.16431	12.0
203.14307	10.6
203.17940	2.6
205.12253	3.4
205.15822	3.9
207.11757	2.9
207.13789	4.9
209.13387	5.0
209.15434	6.7
211.14848	9.6
213.12755	10.0
213.16385	14.8
215.14365	14.8
215.17957	6.7
217.15996	11.0
219.13753	12.1
219.17380	4.8
221.13367	3.8
221.15353	10.8
223.14827	3.6
223.16869	4.0
225.12663	3.8
225.16357	4.4
227.14339	8.7
227.17917	5.1
229.15826	12.3
231.13869	3.0
231.17447	9.8
233.15460	13.8
233.18976	2.8
235.16930	16.0
237.16402	3.4
239.14413	3.2
241.15852	5.7
241.19414	2.8
245.15341	9.5
247.16986	8.5
249.18500	18.5
251.18172	3.0
259.17047	5.8
261.18539	4.0
269.19122	3.7
271.20398	3.0
273.18707	2.9
279.20975	2.8
293.22604	9.1
295.24078	3.6
297.07397	3.0
309.21878	3.5
311.23682	11.5
329.24762	16.1
337.25323	3.9
355.25952	2.9
405.31613	6.6
409.31445	3.3
415.29929	8.1
423.32599	9.5
433.26450	2.7
433.31485	43.9
434.31436	3.5
451.32123	49.2
452.32458	5.0
469.33276	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3312
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03943	4.7
54.01591	1.4
55.01868	2.3
55.05513	16.1
57.03429	2.6
57.07071	5.9
65.03940	3.4
67.05175	2.5
67.05505	34.1
69.07063	19.3
69.22926	9.7
71.04996	3.7
79.05493	36.2
81.07057	66.0
83.04980	15.6
83.08627	10.6
85.06537	4.1
91.05469	34.0
93.07037	81.0
95.04984	7.8
95.08604	100.0
96.08944	2.2
97.06547	10.6
97.10159	3.9
99.04482	3.3
101.06004	1.7
103.05481	2.0
105.07026	64.4
107.07855	4.0
107.08592	80.9
108.08930	2.1
109.06512	9.5
109.10151	42.8
111.04443	11.5
111.08067	14.3
113.05982	2.8
115.05453	3.0
117.07014	12.0
118.07826	2.1
119.08575	88.6
120.08909	2.9
121.06503	9.3
121.10143	78.5
122.10468	2.6
123.08064	12.9
123.11703	20.0
125.09653	5.4
127.07561	2.2
128.06213	4.4
129.06998	8.8
131.08563	38.5
132.09265	2.0
133.06487	4.2
133.10129	72.9
134.10428	2.1
135.08044	15.6
135.11700	33.1
137.09607	4.3
137.13231	5.5
139.07558	8.3
141.07010	1.9
141.09091	3.9
142.07814	3.7
143.08563	26.4
144.09343	4.8
145.06454	1.6
145.10117	61.5
146.10530	1.7
147.08009	14.0
147.11671	45.6
148.12108	1.5
149.09584	8.9
149.13271	18.8
151.11183	2.8
153.09088	8.0
155.08554	6.4
156.09335	4.8
157.10118	34.3
158.10901	4.2
159.08018	10.4
159.11705	50.4
160.12378	3.1
161.09621	28.4
161.13266	22.0
163.11150	16.1
163.14824	5.8
164.36699	1.6
165.09094	4.0
165.12692	1.6
166.07605	1.8
167.10660	6.6
168.09259	1.9
169.10101	11.9
170.10843	3.0
171.08076	3.2
171.11691	26.5
172.08817	3.5
172.12317	2.1
173.09598	16.1
173.13264	33.6
174.13768	2.8
175.11172	22.9
175.14813	19.2
177.09158	3.2
177.12778	6.5
177.16370	4.5
179.10657	9.5
180.25389	2.0
181.10080	1.8
181.10547	2.0
181.12219	18.6
183.11691	11.8
185.09695	4.7
185.13258	27.9
186.10477	3.1
187.11194	9.8
187.14795	21.4
189.12695	11.5
189.16307	15.6
191.10632	2.6
191.14310	7.9
193.12254	6.5
195.11708	7.6
195.13799	6.1
196.12144	1.9
197.13295	11.0
199.11197	6.2
199.14851	14.7
200.12088	2.0
201.12718	20.9
201.16388	14.7
203.14316	13.1
203.15976	2.5
203.17992	5.3
205.15907	2.7
207.13823	5.9
209.13210	4.4
209.15347	10.0
209.21985	1.8
211.11234	2.1
211.14825	10.0
213.12766	12.5
213.16342	15.0
215.14378	15.0
215.17958	8.0
217.15878	13.2
219.13763	11.6
219.17369	2.8
221.13277	3.4
221.15320	18.5
223.14821	3.7
223.16882	4.1
225.16339	4.6
227.14375	8.3
227.17914	5.9
228.14633	2.1
229.15849	13.0
230.16183	2.2
231.13762	4.3
231.17389	14.6
233.15376	13.6
233.18983	3.7
235.14810	2.8
235.16899	16.3
237.16344	3.9
239.14079	1.9
239.18028	2.2
241.15805	5.8
241.19629	2.5
243.17410	2.7
245.15234	9.6
247.16914	11.6
249.16313	2.5
249.18561	23.8
251.17928	2.4
255.17390	3.0
257.19055	3.6
259.16891	6.1
261.18472	4.8
265.19550	2.2
267.21078	2.3
269.19040	2.3
269.22345	2.0
271.16821	2.1
273.18512	6.2
275.20108	2.6
277.19794	1.5
285.18610	2.0
293.19485	1.9
293.22440	9.8
309.22125	3.1
311.23685	10.6
313.21533	3.3
323.23465	2.7
327.23096	1.8
329.24738	14.6
334.26492	2.1
337.25217	5.7
363.26822	2.0
373.25031	1.7
377.28671	3.0
391.26230	2.1
404.34283	2.0
405.31537	6.1
409.31088	3.5
415.29871	9.3
423.32654	10.0
424.71643	2.1
433.30991	49.0
434.31314	7.1
442.11047	1.8
451.32056	41.7
452.32022	4.7
469.33005	22.2
470.33569	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3312
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03947	2.8
55.01872	2.6
55.05509	25.9
57.03440	2.2
57.07072	5.3
65.03931	2.6
67.05177	2.7
67.05505	38.6
69.03411	1.8
69.07069	22.1
71.04991	2.3
79.05491	19.1
79.40570	1.4
81.07056	49.4
83.04984	7.9
83.08627	13.5
85.06522	4.9
91.05479	28.4
91.06020	3.2
93.07044	59.4
95.04961	9.2
95.08607	100.0
96.08933	2.2
97.06504	9.5
97.10168	11.7
99.04435	4.9
101.06039	2.3
103.05489	2.0
105.07027	61.3
106.07359	2.0
107.08592	60.9
108.08916	2.0
109.06514	9.3
109.10151	36.2
110.10443	1.7
111.04440	5.8
111.08081	9.8
113.06004	4.4
115.05511	1.7
117.07013	13.7
119.08578	64.9
120.08911	1.9
121.06499	7.9
121.10143	53.6
123.08069	15.3
123.11697	18.0
125.09637	4.3
128.06219	2.8
129.07019	5.7
130.07773	2.7
131.08568	33.6
132.08978	2.0
133.06503	4.3
133.10133	50.3
134.10474	2.0
135.08089	8.4
135.11691	30.0
137.09615	4.5
137.13240	4.1
139.07547	5.5
139.11148	2.2
141.07086	1.9
141.09108	6.6
142.07794	4.8
143.08556	20.5
144.09395	2.6
145.10118	45.6
146.10643	2.3
147.08060	12.0
147.11684	35.8
149.09608	6.6
149.13249	13.0
153.09113	5.0
153.74312	1.5
155.08575	4.8
155.10594	1.7
156.09302	3.6
157.10115	25.7
158.10849	3.1
159.08037	6.5
159.11684	42.6
160.12006	1.8
161.09627	16.3
161.13263	29.3
163.11224	7.3
163.14818	3.7
165.09132	3.8
167.08534	2.2
167.10703	3.3
169.10117	8.7
171.11682	25.5
173.09593	12.5
173.13264	32.7
174.13782	2.0
175.11156	13.9
175.14795	14.1
177.09094	3.3
177.12825	3.7
177.16464	2.5
179.10652	7.3
179.14284	2.1
181.10219	4.5
181.12241	5.9
183.11679	11.8
185.09665	4.8
185.13243	20.3
186.13918	2.1
187.11166	7.5
187.14812	20.6
189.12758	7.3
189.16403	7.2
191.10704	5.1
193.09950	2.6
193.12268	4.0
195.11746	7.2
195.13824	4.9
197.13264	13.6
199.11203	4.4
199.14812	12.4
201.12697	8.7
201.16435	9.5
203.14333	5.8
203.18091	2.7
205.12265	5.5
205.15865	2.3
207.11761	3.3
207.13826	5.7
209.13283	6.0
209.15407	4.1
211.14822	7.0
213.12849	6.3
213.16328	10.0
215.14378	13.6
215.17860	7.1
217.15828	8.9
219.13788	9.9
219.17461	2.7
221.15321	11.3
223.14850	4.7
225.16429	5.1
227.14273	6.4
227.17982	5.6
228.18756	1.9
229.15909	6.8
231.13802	5.2
231.17426	1.9
233.15399	17.9
233.19028	2.2
235.14827	3.3
235.16942	23.8
236.17360	2.1
237.16371	2.9
239.17976	2.9
241.15884	3.5
243.17406	3.1
245.15398	5.5
246.16133	2.5
247.14622	2.9
247.16884	17.3
249.16269	3.0
249.18605	6.3
251.17972	4.2
253.15953	2.6
253.19600	3.3
255.17451	3.1
257.19025	1.9
259.17029	3.2
261.18524	5.2
263.20166	2.3
265.19534	2.0
267.21146	3.5
269.18985	2.0
269.22607	2.8
273.18625	4.1
275.20096	4.4
281.19058	2.8
285.18567	3.1
287.20108	3.7
289.21716	4.6
293.19308	2.2
293.22589	4.0
295.20770	2.4
297.07632	2.0
297.18439	2.4
301.21725	3.2
309.18671	1.8
309.22260	1.8
311.23810	5.2
313.21646	3.8
315.23468	2.1
325.21606	2.2
327.23297	4.6
329.24762	11.2
337.21619	1.8
353.24954	3.7
355.26248	2.4
367.26410	3.3
391.25940	2.6
405.31592	4.6
409.31061	29.8
410.31467	3.3
413.27203	2.0
415.29974	5.5
423.32446	6.8
427.57013	1.6
433.31076	29.2
434.31500	2.9
451.32053	38.6
469.33157	55.3
470.33627	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3313
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
50.07249	1.5
53.03951	2.9
55.01871	1.7
55.05504	16.5
57.03440	1.9
57.07066	4.2
65.03937	1.9
67.05505	40.6
69.03443	2.0
69.07064	18.5
70.54662	3.6
71.04987	3.6
77.03926	1.9
79.05487	22.7
80.91991	1.6
81.06580	2.7
81.07057	52.9
82.07424	1.6
82.43330	1.9
83.04971	4.5
83.08627	8.1
85.06527	3.8
91.05480	27.7
93.07043	55.4
95.04965	9.8
95.08608	100.0
96.08933	3.9
97.06543	11.2
97.10137	4.7
99.04444	3.2
103.05473	2.5
105.07027	54.3
107.08593	60.9
109.06516	6.0
109.09444	2.6
109.10161	36.5
111.04417	2.9
111.08048	8.3
113.06015	5.9
115.05427	3.0
117.07036	11.3
119.08579	66.5
120.08906	3.1
121.06499	6.2
121.10139	43.4
123.08072	19.3
123.11703	18.8
124.08453	1.5
125.09626	4.3
127.07541	1.8
129.07007	6.1
130.07756	2.0
131.08566	28.9
132.09293	1.5
133.06482	4.0
133.10126	48.8
134.10446	3.3
135.08041	6.7
135.11699	23.4
137.09581	3.8
137.13251	1.9
139.07547	5.1
140.69293	1.5
141.09108	11.1
141.85378	1.6
142.07768	4.0
143.08585	15.2
144.09326	2.3
145.10118	43.2
147.08047	9.1
147.11693	31.4
149.09634	7.5
149.13240	9.3
151.11235	2.9
153.09111	4.6
155.08563	6.6
156.09328	3.2
157.10127	19.8
158.10896	4.2
159.08046	4.9
159.11690	34.3
160.12234	2.7
161.09618	16.6
161.13261	35.7
163.07500	2.2
163.11131	7.7
163.14845	4.3
165.09070	4.0
167.08591	2.7
167.10609	4.2
168.09322	2.2
169.10114	8.9
170.10896	2.3
171.11681	15.4
173.09631	8.9
173.13275	30.0
174.13542	1.7
175.11214	9.2
175.14836	16.1
177.09128	5.3
177.12746	3.0
177.16373	4.3
179.10623	6.3
181.10126	4.7
181.12219	4.5
183.11703	7.0
185.09583	3.7
185.13252	13.9
187.11179	5.3
187.14819	14.9
189.12747	5.2
189.16406	10.9
191.10661	3.1
191.14317	2.6
193.10074	1.7
193.12186	3.7
195.11818	3.8
195.13805	4.3
197.13318	8.7
199.11194	3.6
199.14822	9.9
201.12746	6.0
201.16393	6.4
203.14294	6.1
205.12253	3.2
205.15866	1.8
207.13803	2.8
209.13217	5.0
209.15254	3.9
211.11174	2.4
211.14816	6.7
213.12794	4.1
213.16405	5.5
215.14258	9.5
215.17941	4.4
216.60640	1.5
217.15910	7.4
219.13788	6.0
221.13387	2.8
221.15273	10.5
223.14844	3.1
225.16374	3.7
227.14319	3.5
227.17867	1.9
229.12163	1.9
229.15900	3.9
231.13794	3.7
231.17453	2.7
233.15305	20.1
235.16913	24.9
237.12730	2.2
239.14423	2.0
239.17984	2.2
241.16002	2.7
241.19377	2.1
243.13806	2.1
245.15439	2.4
247.16956	15.6
249.18639	3.2
251.18019	2.0
253.19388	2.1
257.15292	2.1
257.19061	2.4
261.18524	3.1
269.18982	2.5
271.20554	1.6
273.18472	4.2
285.18622	2.5
287.19916	4.7
289.21646	4.3
301.21335	2.8
303.23212	1.9
313.21490	2.9
315.23224	1.8
323.23706	1.9
327.23199	4.5
328.23672	1.7
329.24747	3.9
337.25522	2.5
341.24677	3.2
345.24146	2.0
353.24667	3.6
405.31546	4.0
415.30182	3.6
423.32565	8.2
433.30936	14.8
451.32428	14.7
469.27908	2.9
469.33267	40.6
470.33548	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.8
55.05503	31.5
57.07063	11.2
63.07888	4.4
67.05508	40.4
69.07076	28.3
69.25225	34.7
71.04985	5.7
71.08661	6.3
72.54950	4.8
79.05505	39.5
81.07056	75.4
81.90451	4.8
83.04977	28.6
83.08623	10.2
89.06005	12.2
91.05486	40.3
93.07053	73.9
95.04973	5.1
95.08608	98.6
97.06519	11.8
99.04479	6.1
105.07028	64.3
107.08595	100.0
109.06525	10.5
109.10149	46.1
111.04462	7.2
111.08062	15.4
115.05455	4.5
117.07028	18.8
118.07969	4.4
119.08587	81.9
121.06529	10.8
121.10144	74.6
123.08072	15.6
123.11709	20.2
129.06990	11.5
131.08562	36.1
133.06505	6.7
133.10123	67.3
135.08028	9.8
135.11699	32.7
137.09627	7.2
137.13246	6.8
137.50063	5.1
139.07542	6.1
142.07780	9.1
143.08562	21.0
145.10114	52.5
146.10529	6.5
147.08026	11.1
147.11685	51.4
149.09590	16.6
149.13274	20.1
153.09100	9.4
155.08522	10.0
156.09294	6.7
157.10141	36.2
159.08086	11.4
159.11691	54.5
161.09610	22.9
161.13239	20.9
163.11142	12.8
167.10645	5.9
169.10149	11.5
171.11722	24.2
173.09595	15.9
173.13214	31.0
175.11186	16.3
175.14832	24.5
181.12244	10.1
183.11752	12.5
185.13248	23.4
187.11174	14.3
187.14780	24.9
189.12743	11.7
189.16327	11.6
197.13297	15.8
199.11111	10.4
199.14842	16.5
201.12732	18.4
201.16425	11.6
203.14380	13.2
205.15811	5.1
209.13333	5.0
209.15379	10.1
211.14838	10.8
213.12814	9.5
213.16406	21.0
215.14349	18.2
215.17975	10.2
217.15904	11.2
219.13837	8.9
219.17281	5.7
221.13437	5.3
221.15407	20.5
227.14297	7.9
227.17967	5.8
229.15881	10.4
231.13730	6.3
231.17378	12.0
233.15369	11.4
235.16956	18.5
238.44099	5.0
245.15376	13.7
247.16986	11.7
249.18544	25.8
253.19478	5.2
255.17467	5.4
259.16895	8.9
287.20181	7.0
293.22638	9.5
303.90543	5.3
311.23544	11.6
329.24719	11.3
337.25024	4.8
415.29803	7.8
423.32571	13.7
433.31067	57.0
434.31070	6.3
451.31839	44.0
458.31052	4.4
469.32703	40.3
494.35641	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	4.5
55.05514	39.0
55.06971	3.5
57.07082	11.5
67.05510	35.5
69.06692	4.7
69.07056	29.1
69.39380	3.9
71.08611	5.1
79.05493	20.2
81.07058	48.7
83.04991	11.7
83.08608	15.7
85.06546	5.4
91.05473	28.2
93.07033	56.7
95.04964	8.2
95.08601	100.0
97.06541	9.7
97.10178	15.1
101.06044	5.0
105.07021	53.9
107.08588	57.1
109.06528	9.9
109.10145	39.4
111.08065	10.7
111.74448	3.7
117.07018	8.6
119.08582	60.2
121.10140	45.6
123.08068	13.2
123.11717	11.4
129.07069	7.9
131.08588	32.6
133.10124	53.6
135.08060	9.9
135.11685	21.3
137.13260	4.5
139.07552	7.7
141.09077	4.1
142.07787	5.3
143.08565	32.7
145.10124	49.6
147.08057	9.9
147.11668	30.2
149.09644	7.5
149.13243	12.0
153.09088	6.0
156.09410	7.2
157.10138	42.9
159.11687	51.5
160.12155	4.8
161.09607	22.4
161.13281	18.8
163.14880	5.9
167.10777	7.1
169.10164	13.9
170.10962	6.3
171.11688	37.3
173.09634	11.0
173.13214	26.2
175.11165	16.7
175.14792	10.8
177.12730	5.0
181.10152	6.7
183.11691	12.3
185.13232	26.5
186.13939	5.0
187.11261	4.7
187.14804	28.2
189.12843	8.2
189.16426	9.5
193.12321	5.2
195.11772	13.2
197.13272	13.8
199.14864	18.2
201.12878	5.4
201.16493	7.3
203.14369	6.6
205.15871	5.0
207.13902	6.3
209.13222	10.1
211.11133	4.4
211.14792	11.5
213.12785	13.8
213.16409	13.6
217.15912	7.8
221.15326	5.4
223.14835	8.4
225.12915	4.5
225.16438	4.4
227.14339	10.3
227.18027	7.3
229.19505	5.5
231.13905	7.6
231.17479	4.9
233.15387	11.9
235.17003	8.9
239.14259	6.5
241.15852	5.8
245.15358	9.5
247.16956	7.3
249.18564	9.1
251.17967	5.6
264.92307	4.4
267.20813	5.8
269.22723	8.0
273.18561	4.1
281.19049	5.5
287.19794	5.5
293.22598	7.6
294.19882	5.3
309.22137	8.8
311.23636	15.9
319.24075	5.3
329.24713	20.6
337.25208	6.7
367.26563	7.2
385.23767	4.9
409.31064	66.5
410.31195	8.0
423.32562	7.5
433.30966	41.0
451.32153	58.0
469.32999	37.5
470.33496	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01875	2.4
55.05512	23.0
57.07076	4.9
57.27842	1.8
63.84655	1.8
65.03934	4.3
67.05505	33.4
69.03431	2.9
69.07071	26.0
69.43239	6.9
69.43645	4.3
71.04980	3.4
76.85868	1.9
78.11451	1.7
79.05498	33.4
81.07056	67.1
82.07391	3.2
83.04980	11.1
83.08626	14.8
83.27561	1.7
85.02934	1.9
85.06556	3.2
91.05483	40.8
93.07038	82.2
95.04958	12.1
95.08605	81.4
95.09225	2.4
96.08916	2.8
96.39673	2.0
97.06528	7.0
97.10165	4.0
99.04470	3.9
101.06011	2.3
101.90839	1.8
103.05461	4.3
105.06289	2.3
105.07029	76.0
107.08593	90.1
108.08935	2.7
109.06537	8.6
109.10149	41.7
111.08086	8.7
113.06044	2.8
113.35323	2.2
115.05441	4.8
115.07547	2.3
117.07030	17.7
119.08578	90.5
121.06493	9.5
121.10142	78.0
123.08118	11.2
123.11684	16.4
125.09657	3.6
127.07545	2.5
128.06221	5.0
129.06992	12.6
129.09067	2.9
130.07811	4.1
131.08572	48.0
132.09328	2.9
133.06541	3.9
133.10130	100.0
134.10468	3.4
135.08047	14.7
135.11688	35.6
137.09595	4.0
137.13271	3.2
139.07547	6.1
139.11140	2.0
141.06984	4.1
141.09184	3.2
142.07803	8.2
143.08565	30.1
144.09334	4.0
145.10120	68.8
146.10852	3.7
147.08038	8.1
147.11685	48.5
148.12053	2.8
149.09636	8.9
149.13261	14.1
151.11212	2.3
153.09116	12.1
155.08586	5.7
156.09335	4.2
157.10130	34.0
158.10715	5.8
159.08112	5.1
159.11690	71.0
160.12407	9.2
161.09590	15.3
161.13243	31.2
163.11221	12.7
163.14844	8.9
165.09140	5.4
167.10681	6.3
169.10184	8.3
171.11702	23.6
173.09660	11.5
173.13261	41.3
174.13840	4.3
175.11200	11.8
175.14839	20.3
177.09062	4.2
177.12759	7.8
177.16440	4.1
179.10693	7.3
181.10095	3.1
181.12234	15.4
183.11719	9.9
184.12343	2.7
185.09630	8.3
185.13231	24.2
186.13878	3.0
187.11237	5.7
187.14828	26.6
189.12711	9.9
189.16348	10.1
191.10655	4.6
191.14369	5.3
193.12228	5.2
195.11766	4.2
195.13799	9.7
197.13271	7.2
199.14809	20.1
201.12749	8.9
201.16322	9.4
203.14352	7.4
203.17943	3.2
203.58427	2.1
205.12186	3.9
205.15823	2.1
207.13771	4.9
209.13283	5.5
209.15399	7.5
211.14752	8.9
213.12784	5.8
213.16351	10.9
215.14337	13.8
215.17969	6.9
217.15967	5.9
219.13823	6.6
219.17477	2.8
221.15306	11.9
223.14825	4.3
223.16885	4.0
225.12741	2.3
225.16423	2.8
227.14310	6.1
227.17961	6.0
229.15854	8.3
231.13770	6.0
231.17484	5.4
233.15366	21.1
235.14864	3.6
235.16940	11.0
237.16338	3.4
239.14198	2.6
241.15892	2.1
241.19516	2.7
245.15343	15.0
247.16965	14.8
249.18480	6.6
251.17917	3.7
253.15990	2.3
253.19569	5.3
255.17233	2.8
259.16983	7.8
261.18564	2.9
273.18579	5.4
295.20569	2.6
297.22354	2.2
299.20163	4.3
301.21683	3.6
311.23636	3.2
313.21707	2.9
327.23303	4.7
329.24634	3.6
341.24652	5.2
355.26294	2.5
358.48639	2.2
369.27844	7.8
370.28741	6.5
377.28421	3.4
391.26190	2.5
395.29193	3.3
405.31473	5.9
415.29749	4.6
423.32443	13.5
433.30957	23.0
434.31372	2.3
451.32242	17.9
469.33084	37.3
470.33258	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3312
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03942	4.4
55.05511	31.2
57.07076	3.5
63.12775	3.6
67.05508	32.9
69.07072	23.4
70.56748	8.9
79.05490	35.7
81.07056	67.2
83.04987	22.6
83.08610	7.9
85.06600	3.7
87.57961	2.9
91.05472	33.1
93.07047	62.6
95.04967	9.5
95.08608	100.0
96.08945	4.2
97.06523	7.8
99.04446	7.0
105.07030	57.3
106.07278	3.7
107.08595	69.2
109.06537	8.9
109.10159	33.3
111.04478	9.0
111.08095	9.6
113.06007	4.9
117.07030	12.3
119.08575	67.2
121.06506	5.7
121.10133	50.6
123.08076	11.0
123.11691	17.8
123.13264	3.8
125.09646	3.0
128.06200	4.2
129.07031	5.7
131.08562	29.3
133.06534	4.4
133.10130	56.9
135.08064	12.3
135.11684	31.9
139.07567	6.1
141.09120	3.8
142.07764	6.9
143.08569	23.5
144.09422	5.5
145.10126	55.5
146.10519	4.7
147.08092	13.4
147.11690	41.1
149.09581	5.8
149.13239	15.6
153.09183	5.1
155.08580	10.5
156.09358	4.7
157.10114	24.5
158.10843	4.0
159.08063	10.0
159.11705	43.9
160.12315	3.0
161.09599	20.4
161.13234	17.2
163.11200	13.3
167.10724	5.7
169.10155	10.4
171.11691	27.3
173.09642	10.4
173.13284	29.2
175.11169	13.9
175.14830	16.2
177.09140	3.6
177.12732	3.6
179.10709	3.9
180.76559	3.3
181.12288	8.8
183.11705	11.2
185.09651	6.9
185.13315	16.2
187.11235	8.1
187.14868	18.3
189.12721	8.9
189.16415	11.6
191.10759	3.5
191.14265	4.7
193.12321	4.2
195.11745	5.1
197.13246	8.6
199.14862	14.7
201.12730	10.5
201.16393	11.6
203.14317	6.2
203.18005	3.6
207.13805	4.8
209.13376	4.8
209.15384	6.2
211.14825	7.0
213.12682	6.1
213.16449	11.3
215.14355	14.8
215.17740	4.7
217.15855	7.8
219.13788	7.0
219.17328	5.3
221.15349	9.3
225.16548	3.3
227.14235	7.9
229.15842	7.3
231.17485	8.2
233.15358	13.1
235.17014	9.5
242.00626	3.2
245.15324	5.8
247.16957	9.1
249.18553	10.6
273.18427	4.3
293.22717	4.3
309.89258	3.7
311.23599	6.7
313.21814	4.1
329.24506	7.5
355.26355	3.8
423.32428	5.6
433.31042	33.3
451.31918	27.1
469.32162	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3314
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03941	4.7
53.55068	1.4
54.47090	1.5
55.05512	14.2
57.03436	2.6
57.07083	2.4
61.57333	1.6
65.03933	3.5
65.85034	1.5
66.34188	1.5
67.05505	35.7
69.07067	16.1
71.05000	3.4
71.12071	3.2
79.05493	23.3
81.07057	51.8
83.04974	5.2
83.08616	6.4
84.54800	1.4
85.02901	1.8
85.06573	3.9
91.05486	24.9
93.07043	48.1
95.04967	6.3
95.08610	100.0
95.78248	1.7
96.08921	2.9
97.06540	10.1
97.10181	2.9
99.04446	3.1
99.08089	3.1
102.08239	1.4
102.49238	1.4
105.07031	44.4
107.07866	2.6
107.08594	52.5
109.06516	9.0
109.10152	34.3
111.04472	4.1
111.08091	10.3
113.06013	7.0
115.05444	2.3
117.07014	13.1
119.08582	64.3
120.08966	1.7
121.06517	5.8
121.10149	43.0
123.08068	20.8
123.11708	18.5
125.09644	6.7
128.06181	1.7
129.06996	5.7
130.07832	1.8
131.08571	28.0
133.06505	3.8
133.07478	1.8
133.10130	42.2
135.08072	9.5
135.11691	29.4
137.09593	3.4
137.13261	4.1
139.07533	6.4
139.11171	3.3
141.06949	2.2
141.09094	10.8
142.07779	4.2
143.08566	17.5
144.09291	3.2
145.10114	35.8
147.08023	10.2
147.11696	31.7
148.12047	2.0
149.09633	6.7
149.13225	10.3
151.11198	3.3
153.09093	3.7
155.08539	8.5
156.09303	3.0
157.10136	21.8
158.10844	2.8
159.08102	7.6
159.11697	34.0
161.09628	15.4
161.13254	36.5
162.13591	2.4
163.11186	5.5
163.14793	4.2
165.09154	4.9
167.08502	2.2
167.10686	4.9
169.10139	9.3
171.08095	2.1
171.11678	19.3
172.12369	2.3
173.09630	10.1
173.13243	28.5
175.11174	10.7
175.14832	14.9
177.09125	5.6
177.12752	2.8
177.16196	1.7
179.08482	2.4
179.10689	6.8
181.10156	5.2
181.12238	5.7
182.10919	1.7
183.11676	9.9
185.09634	6.3
185.13202	10.1
187.11203	7.4
187.14833	14.1
189.09193	1.6
189.12750	4.1
189.16379	7.8
191.10622	3.6
193.10193	3.6
193.12090	3.2
195.11681	3.6
195.13817	4.5
196.12509	1.9
197.09625	2.5
197.13269	10.0
199.11191	4.7
199.14842	8.5
201.12729	3.7
201.16425	6.6
203.14308	5.9
203.17992	3.3
205.12285	5.3
207.11816	3.1
207.13788	3.7
209.13266	6.9
209.15204	2.4
211.11176	2.0
211.14848	7.0
213.12671	3.1
213.16394	6.6
215.14333	7.4
217.12257	2.3
217.15913	6.7
219.13728	8.2
221.13380	2.6
221.15407	11.0
223.14766	3.8
225.12805	2.7
225.16399	3.5
227.10715	2.3
227.14305	4.4
227.17845	2.1
229.15913	4.0
229.19563	2.1
231.13835	4.9
231.17479	2.3
233.13327	3.1
233.15387	18.2
235.14757	3.3
235.16913	27.8
237.16394	4.6
239.14307	3.3
241.15819	3.3
241.19521	2.0
243.17511	3.8
245.15359	3.9
247.14688	2.6
247.16934	18.4
249.16371	2.0
249.18640	3.7
251.17781	1.9
253.15897	2.4
255.17383	2.8
259.17078	2.7
261.12802	1.9
261.18521	2.0
267.17404	2.0
273.18439	4.2
275.20148	2.4
283.17084	2.8
285.18625	1.8
287.20117	3.7
289.21613	2.0
291.21069	2.1
297.18542	2.2
299.20093	2.6
301.21896	3.1
309.22177	3.2
313.21677	1.8
315.15982	4.9
327.23148	3.7
329.24667	6.1
341.24786	3.9
353.24783	3.2
355.26288	2.9
395.29523	2.1
405.31543	4.1
415.22647	3.4
415.29840	3.0
423.32559	6.5
429.04462	1.8
433.31516	12.2
451.27332	5.8
451.32120	9.8
452.32968	2.0
469.33365	42.9
470.33417	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3319
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05508	30.3
57.07071	15.7
67.05497	45.3
67.54753	10.5
69.07066	28.7
70.15329	10.6
76.98035	13.6
79.05496	32.3
81.07057	74.9
83.05016	11.6
89.06010	27.3
91.05495	26.0
93.07063	60.9
95.04983	15.6
95.08619	100.0
96.37701	10.3
97.10174	18.1
105.07028	68.6
107.08603	87.8
109.10137	25.5
111.08086	17.0
117.07065	13.4
118.16093	13.0
119.08562	72.0
121.10140	65.5
123.11695	15.8
126.64948	12.0
128.49963	11.4
131.08578	36.4
133.10132	59.8
135.11684	24.2
143.08554	27.4
145.10109	64.7
147.11687	25.0
149.13245	16.9
155.08580	14.7
157.10152	30.6
159.11742	41.5
161.13297	15.1
163.11166	14.0
169.10088	11.0
171.11719	26.9
173.13255	38.5
175.14821	18.4
183.11673	13.7
185.09740	13.3
185.13229	16.7
187.11424	12.0
187.14832	27.4
189.12698	14.4
189.16383	11.6
199.14867	18.4
213.16475	14.3
217.16000	18.4
228.81976	11.7
233.15337	18.3
287.84717	12.7
327.08499	17.1
340.15439	12.6
369.09552	14.2
433.30856	35.3
451.31754	22.5
469.32938	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3314
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03953	4.1
55.05520	25.2
55.20068	3.1
57.07082	10.5
60.34103	2.6
64.38349	3.0
67.05507	36.7
69.03434	4.6
69.07078	21.9
69.38699	18.1
71.05000	5.0
71.08636	5.5
79.05488	25.9
81.07057	53.6
83.04982	16.9
83.08642	13.1
89.06037	3.9
91.05473	31.1
93.07047	60.2
95.04987	9.8
95.08611	100.0
97.06543	9.0
98.23331	4.0
99.04488	4.1
105.07034	59.5
107.08597	79.3
109.06511	5.0
109.10163	44.4
111.04475	6.1
111.08094	11.5
113.06028	5.6
117.07040	13.5
119.08585	76.7
121.06504	5.3
121.10154	53.3
123.08086	11.5
123.11694	16.6
129.07011	9.1
131.08572	32.5
133.06479	3.6
133.10135	53.7
133.11072	4.8
135.08107	12.2
135.11679	27.3
137.09610	3.8
139.07574	5.1
139.11136	2.9
141.07030	3.4
141.09132	4.3
142.07790	6.4
143.08603	22.3
144.09367	3.7
145.10135	43.5
147.08099	11.8
147.11694	30.7
149.09601	11.1
149.13269	14.1
153.09074	6.9
155.08565	7.2
156.09380	6.7
157.10150	28.6
159.08047	9.9
159.11714	36.6
161.09578	19.4
161.13286	24.0
163.11227	11.6
163.14845	4.2
165.09140	4.9
167.08629	4.2
167.10783	3.5
169.10210	11.0
171.11716	22.8
172.12334	3.1
173.09674	7.8
173.13271	26.9
175.11182	16.1
175.14798	14.3
177.12686	5.2
179.10674	6.4
181.12326	10.4
183.11737	9.4
185.09624	4.8
185.13251	17.8
187.11211	8.2
187.14839	19.9
189.12764	10.4
189.16446	7.2
191.10698	3.4
191.14368	3.5
193.12210	6.6
195.11751	5.2
195.13829	3.9
197.13278	7.0
199.11198	3.1
199.14830	13.8
201.12715	14.3
201.16408	12.6
203.10670	3.0
203.14355	7.8
203.17784	3.5
205.15891	3.7
207.13773	5.2
209.13414	6.1
209.15338	6.4
211.14835	6.8
213.12775	8.5
213.16345	14.8
215.14354	12.8
215.17900	8.0
215.64178	2.9
217.15912	9.7
219.13889	6.9
221.15463	10.2
223.14769	4.4
223.16936	4.2
225.16344	4.0
227.14354	4.1
227.18123	4.3
229.15948	8.5
231.13800	5.1
231.17467	7.9
233.15373	13.4
235.16930	11.7
241.15918	4.5
245.15390	10.3
247.16966	8.4
249.16306	3.0
249.18439	14.6
251.18098	3.2
255.17497	3.4
259.16965	5.5
261.18555	3.7
263.20245	3.7
269.19110	3.2
273.18460	4.1
287.20050	4.8
293.22754	7.5
311.23688	8.5
327.23154	3.7
329.24841	13.9
337.25266	3.9
405.31638	7.4
409.31360	15.0
415.29968	4.8
423.32672	6.9
433.31100	42.8
451.32117	46.1
452.32663	5.4
469.32944	29.6
469.37936	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3316
Annotation	Acridocarpusic acid C
Peak:m/z	Relative Intensity
53.03936	1.9
53.35967	0.9
55.01884	1.2
55.05514	9.5
55.33617	0.8
57.03418	1.2
57.07080	1.6
64.49136	0.8
65.03941	1.3
67.05504	15.6
69.03423	1.7
69.07078	9.7
69.21544	1.5
69.21943	6.1
71.04996	1.2
77.03908	1.5
79.05494	10.2
81.07063	20.3
83.04992	1.6
83.08613	4.1
85.06567	1.4
91.05481	13.6
93.07048	23.6
95.04964	4.8
95.08607	43.1
96.08935	1.8
97.06535	3.5
97.10172	2.8
98.23359	2.1
105.07034	20.5
107.08595	26.1
108.08917	1.1
109.06541	2.5
109.10152	17.7
111.04460	1.6
111.08095	3.1
113.05987	2.0
115.05476	1.2
117.07024	7.4
117.50104	0.9
119.08579	26.3
121.06501	3.6
121.10146	24.9
123.08070	9.7
123.11736	6.0
125.05986	1.7
125.09640	2.8
128.06232	1.4
129.07022	3.6
130.07755	1.4
131.08566	14.2
131.15202	1.0
133.10135	17.0
135.08069	2.5
135.11699	11.1
137.09625	1.9
139.07513	2.8
141.06970	1.8
141.09085	5.2
142.07776	3.0
143.08568	12.5
144.09349	1.3
145.06519	0.9
145.10115	24.0
146.10527	1.2
147.08069	2.1
147.11688	14.1
149.09651	2.1
149.13283	4.1
151.85527	1.0
153.09126	1.1
155.08514	4.9
156.09360	2.1
157.10132	23.7
158.10841	1.1
159.08044	3.1
159.11691	17.8
160.12227	1.7
161.09593	5.0
161.13292	7.7
163.07547	1.5
163.11188	3.6
163.14874	1.5
165.09142	1.3
167.10669	1.4
169.10120	8.6
169.39201	1.0
170.10863	1.6
171.11688	20.8
172.12329	1.0
173.09650	3.3
173.13280	9.9
175.11169	3.8
175.14816	3.7
177.09135	2.4
177.12776	1.2
177.16432	1.1
179.10733	1.9
181.10107	2.1
181.12267	4.1
183.11647	6.4
185.09636	1.9
185.13240	10.2
187.11217	3.5
187.14795	7.5
189.12784	2.4
189.16418	1.3
191.10692	3.9
195.11728	3.4
197.13278	4.4
199.11145	5.1
199.14755	4.9
201.12766	2.3
201.16414	4.9
203.10707	1.4
203.14384	1.7
205.12280	3.9
207.11795	1.9
207.13803	2.2
209.09636	1.1
209.13261	2.7
211.11224	2.1
211.14822	3.4
213.12813	5.0
213.16354	7.0
215.14310	2.8
215.17981	2.1
217.12251	8.0
219.13855	2.6
221.13393	1.2
221.15413	2.9
223.14764	2.2
225.12624	1.3
225.16322	1.6
227.14314	3.3
227.17966	2.7
229.12331	1.3
229.15903	1.4
231.13774	3.6
233.15425	2.1
235.16963	3.0
237.16222	2.0
239.14394	1.0
239.17870	1.2
241.15964	2.1
241.19473	1.9
243.13808	2.4
243.17426	1.6
245.15321	2.6
247.16951	7.4
249.18617	1.7
251.14349	1.1
251.17966	1.4
253.16013	2.2
253.19572	1.3
255.17407	3.4
255.21135	2.0
257.15424	1.6
259.16965	2.9
261.18423	3.1
264.14474	1.0
267.17523	1.4
267.21277	1.0
269.18933	1.3
271.17014	1.7
273.18500	9.3
275.20047	1.3
285.18607	1.5
287.20056	5.2
289.21692	2.5
291.21030	1.2
299.20163	2.0
301.21616	8.0
307.20493	1.6
309.22208	2.0
313.21677	4.1
315.23148	2.5
323.23605	1.7
327.23010	2.1
329.24750	1.8
341.24774	1.9
349.24911	1.1
355.26309	2.7
377.24487	1.5
405.31500	2.8
409.31003	3.0
413.26813	9.8
414.26776	1.4
415.30054	3.6
423.32632	3.9
433.31082	11.9
434.31110	1.3
451.32037	14.2
452.31940	1.8
469.33124	100.0
470.33636	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3313
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03948	4.6
55.01900	2.1
55.05510	29.3
56.02723	2.0
57.04164	2.0
57.07070	6.1
65.03932	3.2
67.05502	36.0
68.32049	2.4
68.54983	2.1
68.93067	2.1
69.03468	2.2
69.07063	20.3
70.93970	2.4
71.04999	4.4
79.05494	23.9
81.07057	52.3
81.77710	2.3
83.04967	14.0
83.08621	11.8
85.06537	4.0
91.05470	26.9
92.52810	2.5
93.07041	63.8
95.04960	10.3
95.08604	100.0
97.06538	6.9
97.10155	7.7
99.04440	4.1
99.08080	3.3
103.62773	2.7
105.07026	49.7
107.08588	67.9
107.09287	4.5
108.08970	2.5
109.06495	4.8
109.10149	41.9
111.08099	9.1
113.06009	7.3
117.07023	13.8
119.08570	56.3
119.09334	3.9
120.08891	2.7
121.06516	10.7
121.10138	60.4
122.10444	4.9
123.08063	15.6
123.11693	17.9
125.09618	6.6
129.07018	5.7
129.90512	2.2
131.08572	26.9
133.06476	3.1
133.10126	41.1
135.08006	11.7
135.11682	25.4
137.09601	3.7
137.13261	5.0
139.07527	7.6
141.09091	15.9
142.07756	3.8
143.08553	12.4
144.09338	4.8
145.10118	40.8
147.08061	9.1
147.11665	27.1
149.09595	7.4
149.13246	20.6
151.11124	2.4
153.09094	5.7
155.08545	5.0
156.09351	3.8
157.10115	26.6
158.10730	2.2
159.08031	6.4
159.11693	44.3
160.12062	3.5
161.09583	10.6
161.13232	27.0
163.11182	10.6
163.14816	6.9
165.09138	4.4
165.12817	3.5
167.10689	2.5
169.10126	8.2
171.11685	21.8
172.12216	2.3
173.09605	6.9
173.13251	26.3
175.11215	9.3
175.14854	13.1
177.12852	4.1
181.10277	3.9
181.12251	18.6
183.11729	9.2
185.13242	16.7
187.11206	5.6
187.14827	18.6
189.12770	7.7
189.16408	6.4
191.14369	5.3
195.11729	2.7
195.13812	6.8
197.13252	8.8
199.11140	7.2
199.14789	10.5
201.12730	7.8
201.16391	8.9
202.16983	2.7
203.14304	4.3
205.12302	7.0
207.13881	6.4
209.13293	5.1
209.15292	5.3
211.11246	2.2
211.14862	7.7
213.12727	4.8
213.16362	7.9
215.14281	5.9
215.17902	5.7
217.12267	3.6
217.15816	2.8
219.13770	7.4
221.13339	3.9
221.15425	7.9
225.16412	4.9
227.14240	4.8
227.17842	4.5
229.15945	4.4
231.13838	3.0
231.17387	3.1
233.15422	8.0
235.16913	8.1
237.16493	3.4
241.15712	3.0
243.17429	4.8
247.16899	6.9
249.16310	2.4
249.18542	8.7
251.18150	3.3
253.15663	3.4
255.21152	2.9
259.17007	3.8
261.18500	13.2
265.19550	3.7
267.17429	3.9
273.18484	13.2
275.20062	14.1
283.20697	3.8
285.18393	3.2
287.20108	8.2
289.21658	3.5
291.20786	2.9
295.20840	3.4
297.21997	2.2
299.19922	3.7
301.21536	12.7
309.22400	3.0
313.21570	11.2
315.23181	3.0
327.23047	6.0
329.24649	7.0
341.24744	4.3
353.24704	3.9
355.26324	3.0
405.31647	6.1
413.26910	3.8
415.29886	3.8
423.32367	6.2
433.30942	14.9
434.31476	2.5
451.31638	11.8
469.33002	68.3
470.33398	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3314
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03945	6.8
53.91776	3.4
55.05510	20.6
57.07051	3.8
67.05518	30.4
69.07072	21.7
71.04971	3.6
79.05496	29.2
81.07065	63.4
83.04987	11.2
83.08612	8.3
86.22939	3.4
89.05995	3.9
91.05477	33.7
92.05830	4.3
93.07050	70.5
95.04967	8.1
95.08614	100.0
97.06526	7.7
98.22764	25.0
98.23439	7.2
105.07032	64.5
107.08594	72.0
109.06539	3.9
109.10152	33.0
111.04472	8.0
111.08074	16.1
113.05943	4.6
113.54448	3.7
115.05402	4.5
117.07016	15.8
119.08585	76.1
121.06516	7.7
121.10151	68.4
122.10442	3.8
123.08088	11.7
123.11695	22.1
129.06984	5.9
131.08568	32.3
133.10139	59.0
135.08070	18.2
135.11685	26.7
137.09709	3.8
139.07549	9.9
142.07780	5.0
143.08621	22.6
145.10139	56.1
146.80658	3.6
147.08058	12.9
147.11693	40.6
149.09599	9.7
149.13295	17.3
153.09123	3.9
155.08574	4.6
157.10158	31.4
158.10658	5.0
159.08076	11.6
159.11671	40.6
160.12292	4.3
161.09637	27.3
161.13293	17.2
163.11189	10.1
163.14830	7.5
169.10141	8.9
170.10887	5.1
171.11636	23.6
172.08800	4.5
173.09589	15.2
173.13284	32.6
175.11221	17.2
175.14783	19.1
177.12785	5.9
177.16422	5.1
179.10632	6.1
181.12254	11.0
183.11731	9.7
183.56712	3.7
185.09669	4.5
185.13255	17.5
187.11197	11.3
187.14828	23.6
189.12747	9.1
189.16420	12.0
191.14272	5.4
193.12212	7.9
197.13261	8.7
199.14703	16.8
201.12741	15.1
201.16370	8.5
203.14330	10.8
203.17923	6.0
209.15385	6.1
211.14877	7.4
213.12724	8.7
213.16397	12.6
215.14345	13.3
215.17952	5.9
217.15829	10.3
219.13829	8.0
221.15398	11.0
227.14276	7.9
229.15866	9.3
229.31004	4.1
231.17439	11.3
233.15344	11.6
235.14859	4.4
235.16949	9.6
245.15367	7.1
247.16904	8.7
249.18456	14.2
251.17818	4.5
259.16806	4.7
261.18552	5.5
291.20938	3.6
293.22504	8.0
311.23697	10.0
323.49460	4.6
353.34375	4.2
405.31482	5.8
415.30029	6.8
423.32217	8.5
433.30994	36.3
434.31384	5.5
451.32129	38.3
469.33032	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3313
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.01865	5.2
55.05510	29.6
57.07065	8.8
59.79132	4.6
67.05507	39.6
69.07060	25.0
70.84396	4.6
73.10782	4.3
79.05505	33.7
81.07057	56.0
83.04986	17.7
83.08636	15.7
85.06537	4.9
89.06043	8.2
91.05485	33.7
93.07049	69.1
95.05002	7.2
95.08608	100.0
97.06540	12.2
98.23534	3.9
105.04528	4.8
105.07026	57.6
107.08591	72.7
109.10157	42.5
111.04455	5.6
111.08077	9.7
114.30000	3.9
117.06994	15.9
119.08583	80.4
119.45515	4.7
121.06539	7.9
121.10152	76.2
121.71436	4.0
123.08082	13.6
123.11700	16.5
125.09655	4.5
129.06989	6.4
131.08566	32.1
133.10132	58.3
135.08058	13.5
135.11681	30.2
139.07556	9.3
142.07779	6.8
143.08548	14.9
144.09331	5.6
145.10110	52.4
147.08061	12.0
147.11688	42.7
149.09650	7.5
149.13261	12.0
153.09175	7.8
157.10124	27.0
159.08119	9.4
159.11668	39.4
161.09654	27.1
161.13268	17.6
163.11189	12.1
169.10229	7.0
171.11726	23.0
172.12224	6.2
173.09674	12.8
173.13255	26.8
175.11241	18.8
175.14833	23.1
177.12912	5.4
177.16391	6.3
179.10797	5.7
181.10020	7.1
181.12221	8.8
183.11681	9.7
185.09572	4.7
185.13232	22.7
187.11162	7.9
187.14822	20.5
189.12793	9.7
189.16420	14.6
191.14236	5.5
197.13254	9.7
199.14801	13.9
201.12759	9.9
201.16283	11.8
203.14323	14.5
206.10538	5.0
207.13705	6.5
209.15454	7.0
211.14795	5.9
213.12737	9.6
213.16418	18.9
215.14366	12.3
215.17924	9.7
217.15865	9.5
219.13820	10.7
219.17473	5.5
221.15352	15.5
223.14861	6.2
227.14320	9.1
229.15775	6.9
230.24757	5.0
231.13725	5.2
231.17519	11.1
233.15364	20.0
235.16902	10.3
237.16449	5.8
239.14346	5.5
247.16898	9.4
249.18596	14.3
251.17812	4.9
259.17084	7.0
293.22607	8.8
311.23703	10.1
329.24814	16.0
334.61212	4.5
337.25320	7.2
415.29877	10.2
423.32901	9.2
433.31235	43.7
451.32230	46.9
459.83963	5.0
469.32938	20.4
473.95441	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02005	0.3
53.03946	2.1
54.36129	0.4
55.05513	60.2
56.05844	1.1
57.07073	0.7
67.05507	4.5
69.07071	2.3
70.85892	0.4
71.32263	0.8
72.58424	0.3
74.80190	0.4
75.08657	0.4
79.05493	3.1
80.79910	0.4
81.07054	6.8
82.63160	0.4
83.04983	100.0
84.05305	2.2
85.06551	0.6
89.06032	2.8
90.06336	0.4
91.05476	4.0
93.07041	7.0
94.07384	0.4
95.04967	0.9
95.08608	12.4
97.06549	1.0
97.10160	0.7
103.05492	0.5
105.07031	8.7
107.08593	9.6
107.90174	0.4
109.06528	1.1
109.10162	6.0
111.08035	1.2
113.05976	0.4
117.07015	1.4
119.07767	0.7
119.08587	9.7
121.06530	0.9
121.10143	6.7
123.08068	1.6
123.11703	2.6
125.09631	0.9
128.06273	0.6
131.08572	3.5
133.08577	1.5
133.10136	6.9
135.08023	1.7
135.11684	3.9
137.09651	0.4
139.07562	0.5
141.09061	0.5
142.07773	0.7
143.08540	1.7
144.09283	0.4
145.10132	5.2
146.10439	0.5
147.08044	0.9
147.11697	5.4
149.09628	0.9
149.13246	1.6
150.54018	0.4
152.00407	0.4
153.09088	1.0
157.10138	3.5
159.08066	0.6
159.11713	5.2
161.09605	1.6
161.13240	6.3
162.13589	0.4
163.11108	0.8
163.14780	0.7
165.09108	0.9
169.10077	1.2
171.11710	2.2
173.09608	0.9
173.13286	4.7
175.11162	1.2
175.14835	2.3
177.16301	0.5
179.10675	0.5
181.12160	0.5
183.11624	1.0
183.77229	0.4
185.13242	1.8
187.11217	0.7
187.14815	2.7
189.12756	0.7
189.16365	1.3
190.90012	0.4
191.10663	0.5
197.13185	1.4
199.14757	1.6
201.12703	1.0
201.16333	1.6
203.10368	0.4
203.14238	1.2
203.17917	0.8
205.12135	0.5
211.14706	0.8
213.12770	0.5
213.16257	1.0
215.14308	0.9
215.17970	0.7
217.15839	2.0
219.13765	0.8
221.15340	3.7
229.15831	1.0
231.17319	0.7
233.15324	2.0
235.14966	0.4
235.16953	3.0
247.16962	3.2
249.18427	0.8
276.77942	0.4
283.17374	1.1
284.17770	0.8
287.19949	0.6
355.15274	0.5
369.24191	0.5
385.16367	0.6
387.17743	0.6
405.31641	0.6
409.30649	0.5
415.29675	0.6
423.32208	1.4
433.31042	3.0
451.31961	4.7
452.32285	0.5
469.33298	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.05513	46.1
56.05853	3.0
57.07067	10.8
65.03918	3.7
67.05505	36.2
68.62673	3.1
69.03416	6.2
69.07069	57.5
70.07399	3.0
71.04991	26.0
71.08652	3.3
73.06553	10.3
79.05489	24.5
81.07056	56.7
83.04989	14.1
83.08611	35.2
85.06513	3.1
89.06030	4.9
91.05477	31.3
92.05799	3.2
93.07047	58.9
95.04967	6.5
95.08605	78.1
96.08939	9.1
97.06538	11.6
97.10177	34.7
99.08098	9.8
105.07036	68.6
106.07379	6.0
107.08595	79.3
108.08939	5.3
109.06509	10.1
109.10157	71.7
110.10508	7.5
111.08086	7.7
111.11714	6.0
115.07563	16.5
117.07021	13.1
119.08579	84.7
120.08894	6.8
121.06519	4.7
121.09303	3.2
121.10144	83.5
122.10509	4.1
123.08079	12.2
123.11694	22.3
124.13180	3.2
125.09650	22.8
127.10281	4.4
127.11202	64.9
129.07027	10.4
129.09120	12.9
131.08559	38.9
133.10129	100.0
134.10500	5.6
135.08043	10.3
135.11696	39.0
136.11984	3.5
137.09705	4.4
137.13258	4.2
139.11150	3.7
141.07011	3.2
142.07829	3.6
143.08571	25.5
143.10651	5.9
144.09207	6.5
145.10153	48.0
146.10672	6.0
147.08078	10.1
147.10600	5.6
147.11693	71.6
148.12071	6.6
149.09644	10.3
149.13284	17.8
151.11118	2.9
151.93878	3.3
155.08537	9.9
156.09309	4.8
157.10146	29.0
157.12213	30.5
158.10553	6.3
159.08101	3.0
159.11716	55.9
160.12032	5.0
161.09612	12.7
161.13306	34.4
163.11172	8.6
163.14832	4.9
167.08516	3.6
167.10558	5.1
169.10162	14.8
170.10771	3.5
171.11739	31.9
172.12067	5.4
173.09639	7.2
173.13261	39.4
174.00732	3.1
175.11180	40.7
175.14767	20.2
176.11581	3.3
177.12726	7.8
177.16422	5.6
181.10103	6.5
181.12222	7.8
183.11655	16.2
185.09602	4.7
185.13290	23.0
186.13734	4.2
187.03661	62.5
187.11218	7.3
187.14850	21.1
188.03989	5.7
188.15323	3.3
189.12740	9.3
189.16417	28.0
191.17924	4.7
193.12338	4.6
195.11674	13.9
195.13786	8.4
197.13295	15.4
198.13715	3.7
199.11064	6.9
199.14824	16.7
200.15321	4.9
201.12764	9.6
201.16402	26.4
203.14395	5.2
203.17961	10.5
207.11818	3.5
207.17383	5.7
209.13283	8.1
209.15381	8.4
211.14857	18.4
212.15184	4.7
213.12782	8.8
213.16357	13.1
215.14479	6.3
215.18004	18.0
217.15852	9.6
219.13899	4.0
219.17432	10.5
221.15326	4.4
223.14772	8.1
223.16849	3.6
225.16397	7.7
226.16795	3.6
227.14313	6.6
227.17883	6.9
229.15970	5.7
229.19472	6.4
231.17528	6.4
233.15369	4.0
233.19052	8.3
235.14732	4.4
235.17007	9.6
237.16315	8.3
239.14386	4.0
239.17935	4.1
243.13422	4.0
243.21115	6.1
247.16997	4.7
249.16312	4.1
249.18533	10.6
253.16032	5.2
253.19582	6.8
255.17360	5.5
255.21318	3.7
261.18542	11.0
263.20099	8.9
265.19455	6.4
267.21106	6.7
269.18976	4.4
273.17987	4.4
287.19772	3.7
291.21170	5.0
295.20755	4.6
299.20093	6.6
301.21579	3.8
304.27011	3.9
315.23169	4.4
325.25409	3.4
327.26773	6.1
329.24524	7.9
339.26956	4.3
349.25067	5.9
353.24152	3.6
355.26038	3.7
367.26068	3.8
377.28320	5.3
383.29352	8.2
395.29449	11.4
399.29013	3.8
409.30331	5.7
419.33270	16.8
433.30109	8.5
437.34045	24.1
451.30484	6.8
451.36594	16.5
469.32193	47.5
469.37003	43.3
469.47455	4.6
470.32788	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	1.0
58.25105	0.5
58.99584	0.6
66.38422	0.6
68.64149	0.6
69.07079	0.7
71.65903	0.5
74.00626	0.7
76.04008	0.7
79.05505	0.9
83.06097	2.7
84.04507	22.1
85.02905	0.6
88.03985	1.4
91.05475	1.8
93.63335	0.6
96.04469	1.2
97.06528	2.5
97.88219	0.6
98.06914	0.6
99.05581	1.8
100.02190	0.7
103.16341	0.6
105.07032	1.0
107.06069	1.0
107.08612	0.8
109.06491	0.6
112.04015	0.9
117.07017	1.0
119.08583	0.7
120.13798	0.6
121.06479	2.3
123.04437	1.4
124.51834	0.6
125.00610	1.3
128.03488	0.6
129.06505	2.8
130.05016	4.3
131.08566	1.8
134.06041	0.8
135.08049	1.5
136.03917	0.9
137.06001	1.2
139.05801	0.6
141.06898	0.6
142.04967	0.7
143.08525	0.6
144.08038	1.2
145.06270	0.7
146.06020	0.9
147.04411	0.9
147.06833	2.9
147.07892	0.7
149.11565	0.6
150.03726	0.9
150.05492	2.3
151.02104	0.8
151.05719	0.7
153.00087	1.8
153.06592	3.7
158.09633	2.0
159.08092	2.1
159.10460	1.8
160.07588	1.3
160.08830	0.9
161.05981	2.3
161.08376	3.6
162.05505	1.8
162.06757	1.3
163.06248	2.4
163.07549	2.3
165.02414	0.7
165.07260	0.7
165.09111	1.2
167.01639	1.7
167.05313	1.2
169.03227	0.6
172.07611	0.8
174.09166	2.5
174.93214	0.7
175.05946	1.0
175.07532	1.5
176.10678	0.9
177.03641	1.0
177.06082	1.5
177.07755	0.7
178.03188	2.9
178.04555	0.9
179.01624	1.3
179.04015	4.0
180.04781	5.9
180.10172	1.1
181.03221	1.0
181.06104	2.0
185.09653	0.8
186.09172	2.5
187.07573	1.8
187.09923	3.5
188.08310	2.6
188.10625	0.7
189.07826	1.6
189.11353	1.1
190.03223	1.0
190.08592	3.0
192.04665	0.8
192.08429	7.1
192.10207	16.5
193.06873	5.5
193.10445	0.7
194.03963	0.7
194.06380	0.9
195.03470	2.0
195.04927	1.1
196.04277	19.3
197.06261	1.5
199.07253	1.2
201.12573	0.7
203.05301	2.0
204.10196	15.2
205.05586	8.5
205.10942	7.2
206.04115	1.2
206.06274	1.6
207.01169	1.0
208.04297	3.4
209.06348	10.5
210.09474	4.0
219.10223	0.8
220.07916	56.4
221.06323	7.1
221.08437	2.6
222.09471	32.2
223.06538	12.6
223.09908	1.2
227.10738	0.8
238.08965	33.9
239.09286	1.6
245.11861	1.3
249.05573	0.9
250.10803	1.6
257.07492	0.7
266.08621	0.7
267.06775	1.1
277.10104	1.8
295.10870	1.2
299.07050	1.2
304.09973	2.5
323.10596	100.0
324.10742	5.4
341.11594	3.8
349.12164	1.6
371.18658	1.1
377.11447	1.0
395.07672	1.0
395.12717	13.0
396.12646	1.2
407.12558	1.5
417.19131	6.1
435.19873	1.5
438.60883	0.6
453.21423	0.9
470.15973	1.1
470.24640	3.0
471.22260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.6
55.05518	3.6
57.03153	1.3
57.03434	21.2
59.05007	4.4
61.02921	2.1
67.05495	2.9
69.03423	7.2
69.07079	1.1
70.91582	1.3
71.01341	0.8
71.05002	3.9
73.02914	11.8
79.05495	0.8
81.03408	1.4
81.07056	17.2
83.08628	11.3
85.02905	16.2
85.06548	1.4
87.04478	0.9
91.03941	0.7
95.08590	1.3
97.02892	11.9
97.10172	2.6
98.23203	0.7
99.04459	0.6
100.21976	0.6
103.03944	1.1
109.02893	1.1
115.03926	4.6
123.11704	41.3
124.12049	1.6
127.03941	3.7
133.04961	4.6
141.12738	100.0
142.13092	3.3
145.04962	3.9
150.07661	0.8
159.10152	2.5
159.13806	32.6
160.14189	1.3
163.05991	1.6
222.34625	0.6
223.06053	1.4
241.06969	1.1
259.08044	0.7
309.16547	0.8
324.50845	0.7
456.86496	0.7
471.22714	4.8
482.27380	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30695	0.8
55.01867	2.4
55.05508	3.1
57.03439	19.3
59.05000	5.9
61.02924	3.0
67.05505	2.9
69.03432	8.4
69.07057	1.5
70.42761	1.3
70.43066	1.2
71.05002	3.7
72.29948	0.8
73.02920	13.5
73.58843	0.8
77.92442	0.9
79.05479	1.0
81.03410	1.6
81.07059	18.5
83.08624	13.6
85.02914	16.1
85.06545	1.4
87.04486	1.8
97.02895	10.4
97.10179	2.3
100.11266	1.2
107.35190	0.8
109.02898	1.6
115.03913	4.8
115.45726	0.8
123.11707	43.4
124.12015	1.1
124.54865	0.9
127.03946	4.3
133.04947	4.4
141.12740	100.0
142.13098	3.2
142.78729	0.8
145.04941	5.1
159.12494	1.7
159.13803	32.4
160.14130	1.2
163.05998	1.1
223.06108	1.0
259.08029	0.9
261.69247	0.9
266.72144	0.8
272.54465	0.7
301.33987	0.9
308.15659	1.4
309.16818	1.1
387.41992	0.8
470.20093	1.2
471.22324	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01852	1.2
55.05506	2.8
57.03436	12.1
57.07058	1.0
61.02922	1.7
67.05498	1.0
69.03442	3.7
69.07070	1.7
71.04993	78.4
71.30216	1.1
72.05325	1.3
73.02915	2.3
75.04491	4.0
79.05499	2.0
81.03410	1.4
81.07049	3.1
83.04977	9.0
85.02904	100.0
85.06525	0.8
86.03244	1.6
87.04457	2.1
91.05488	1.5
93.07056	1.3
95.08604	1.6
97.02893	4.5
97.06540	4.1
97.29126	0.8
98.06882	1.5
99.04447	1.8
103.03944	1.6
105.07037	0.9
107.08604	1.2
109.02913	1.1
109.06486	1.1
109.10146	3.2
109.39552	0.8
110.06091	0.7
111.04430	4.3
115.05457	0.7
121.10216	0.8
121.42287	0.7
125.13452	0.7
127.03931	3.6
129.05478	43.8
130.05788	1.3
131.08540	1.2
133.10100	0.9
133.85770	0.7
135.04483	0.8
137.05975	2.6
143.08452	1.1
144.06613	1.0
145.04977	2.6
145.10182	0.9
146.08118	2.1
146.65691	0.7
147.06514	22.9
149.09537	0.9
159.08034	0.8
161.09613	0.8
162.07646	1.4
163.03955	2.2
163.05992	0.8
164.04256	1.0
164.09169	6.7
165.09114	1.1
169.10129	0.7
173.02414	1.0
174.02789	0.8
180.08739	1.9
183.11897	0.7
189.09277	0.9
201.12613	0.7
215.07129	0.9
216.07390	1.4
255.08730	1.0
259.09732	2.3
260.10089	2.9
273.09680	0.8
277.10703	1.1
278.11053	1.8
289.16498	0.7
308.15747	1.4
333.08038	0.7
380.45621	0.9
395.18225	1.0
470.20773	4.8
471.21179	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.3
63.20848	0.5
69.08509	0.5
70.45309	1.4
73.79832	0.6
82.22263	0.5
83.01089	1.0
83.08619	2.1
95.01112	2.1
96.01872	1.4
100.07607	0.5
100.11259	14.9
111.04478	0.7
112.01358	1.6
113.02103	3.8
125.81685	0.5
128.07042	0.8
157.04813	0.8
182.15385	3.7
185.04210	5.5
189.05272	1.7
201.03712	1.2
203.05267	0.8
209.16541	1.3
210.14853	2.9
219.06302	3.2
224.90080	0.7
234.08623	17.4
235.09323	1.3
245.18726	0.7
259.07846	2.8
269.86249	0.6
276.48129	0.5
277.10489	1.2
305.84207	0.5
309.13181	0.7
440.16568	0.6
441.17490	2.5
453.34650	0.5
471.18365	100.0
471.35446	13.6
472.18527	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20759	1.4
54.55140	1.3
55.05509	8.6
55.38603	1.3
57.07067	2.1
67.05500	17.5
67.45248	1.5
69.07065	9.1
69.15124	1.5
70.55547	1.3
70.55882	3.9
71.04986	3.0
75.08229	1.3
75.40418	1.3
79.05489	11.2
81.07060	22.6
83.08606	3.4
91.05484	8.6
93.07042	23.2
95.04977	3.1
95.08607	41.3
97.06506	2.8
99.01378	1.5
99.04387	1.7
105.07024	15.9
107.08594	28.4
109.10151	23.3
111.08048	3.0
113.05975	3.3
115.05386	1.7
117.07050	4.5
117.77834	1.3
119.08582	22.2
121.06510	1.6
121.10138	26.1
123.08051	4.3
123.11720	9.3
128.06155	1.4
129.09152	1.7
131.08554	6.5
133.10129	17.2
135.07990	3.3
135.11696	13.5
137.09572	1.5
137.13220	2.3
141.09081	2.6
142.07845	1.4
143.08575	3.3
144.09372	1.4
145.10152	10.2
147.08031	2.2
147.11656	12.6
149.09607	4.3
149.13269	4.9
152.06163	1.4
153.09093	2.4
155.08502	2.4
157.10139	5.6
159.08061	1.4
159.11673	11.6
161.09621	4.9
161.13257	17.1
163.11177	3.5
163.14777	2.0
165.07002	5.7
166.07780	1.8
167.08513	2.1
167.10724	4.0
169.09985	2.2
171.11729	2.0
173.09671	2.7
173.13251	5.0
175.11166	3.8
175.14824	6.0
177.12843	1.9
179.08586	2.7
179.10648	2.0
181.06450	2.4
181.12221	4.3
182.07263	11.7
185.13248	3.0
187.11130	2.2
187.14786	4.5
189.16385	4.6
194.07298	1.6
195.08052	3.6
197.09564	8.1
197.13223	3.5
199.07573	4.0
199.14731	2.2
201.16403	2.7
203.10684	3.6
203.17863	1.9
205.15852	2.3
209.13235	1.6
209.15259	1.6
210.06772	18.4
211.07486	1.9
212.08286	3.2
213.16325	1.8
217.15857	4.0
219.17406	1.5
221.06050	1.7
221.15359	2.9
222.06764	2.9
223.07545	4.3
223.17004	3.2
224.08327	3.3
225.05608	3.3
225.09077	47.8
226.06271	1.9
226.09480	2.9
227.06969	3.6
233.15285	2.0
235.07573	3.9
235.16994	9.5
237.05400	2.2
237.09230	1.9
237.18365	1.8
238.06252	13.9
239.06984	3.6
240.07735	8.6
241.08618	2.9
242.09396	3.1
247.17014	5.2
249.18550	3.5
250.06149	1.6
251.07098	5.0
252.07808	4.5
253.04869	4.0
253.08603	42.9
254.05858	2.8
254.09068	2.7
255.06541	3.2
255.10114	3.6
266.05627	5.1
267.06570	2.6
267.10028	2.8
268.07281	8.6
269.08160	2.0
270.08841	3.2
278.09274	1.8
280.07471	2.2
281.08063	72.8
282.08426	4.1
283.06461	1.5
283.09714	7.9
284.07129	1.6
285.07584	2.0
285.11243	4.8
293.11792	2.6
296.06857	3.5
297.07568	5.3
298.08188	5.1
301.07083	1.6
308.10342	2.4
311.09100	59.2
312.09659	6.3
313.07114	4.0
313.10699	15.8
323.12723	2.6
328.09335	5.5
337.10663	2.1
343.11746	100.0
344.12027	6.7
351.12183	4.7
352.12970	1.9
353.13846	2.5
383.14670	8.8
418.28052	3.2
435.32623	3.4
436.29541	1.7
453.33411	2.3
471.25806	7.0
471.34747	4.0
473.69492	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.1
67.05502	1.4
69.03442	2.0
69.05739	4.0
69.07046	0.8
79.05497	1.2
81.07045	1.7
83.04984	0.9
85.02901	0.6
87.04471	0.4
91.05466	1.4
93.07037	1.0
95.04981	0.6
95.08611	1.5
97.02837	0.5
105.07020	1.9
107.08603	0.9
107.67115	0.4
109.06514	1.6
109.10176	0.7
110.97372	0.5
111.08071	0.5
115.03939	0.7
116.18982	0.4
117.06991	0.7
119.08578	1.5
121.06505	0.7
121.10130	0.6
122.38751	0.4
123.04430	0.4
123.08074	0.7
125.06004	0.5
129.07030	0.8
131.08582	1.2
133.06456	0.5
133.10104	0.7
135.08080	0.7
137.05959	1.3
137.09642	0.6
139.03860	0.5
139.07513	1.1
141.07027	0.5
143.08575	0.9
145.06487	0.4
145.10121	1.6
147.08049	1.1
147.11719	0.4
149.09601	0.8
151.03902	0.5
151.07529	0.9
155.08542	1.5
157.10063	0.6
159.08018	0.8
159.11678	0.5
161.09642	0.6
161.60469	0.4
165.09122	1.4
171.08049	0.4
171.11659	0.6
173.09619	1.9
179.07089	2.0
181.04916	0.6
181.10054	0.5
187.11104	0.7
195.11784	0.5
199.11220	0.6
201.03804	0.5
203.05249	0.7
275.07434	0.7
309.16827	0.7
322.29599	0.5
333.07913	21.2
334.08347	0.6
335.09485	11.1
339.17804	0.7
425.23672	0.7
453.22525	0.9
471.22058	100.0
472.22418	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.22
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23286	0.3
50.91626	0.3
51.36610	0.3
54.28632	0.3
55.01844	0.3
55.05519	0.6
67.05501	2.1
69.03432	1.1
69.07070	1.7
70.06596	0.6
72.34855	0.3
79.05486	1.3
81.07059	3.0
83.04962	1.2
83.08620	0.5
85.06520	0.5
91.05489	1.3
93.07058	2.3
95.04975	0.9
95.08603	3.0
95.69311	0.3
97.06516	1.2
98.23466	0.7
105.07038	2.3
107.08593	1.5
109.06526	1.0
109.10178	1.6
111.04417	0.6
119.08559	1.5
121.06474	0.5
121.10129	1.4
123.04411	0.5
123.08040	0.5
123.11718	0.5
125.09634	0.4
127.03902	0.4
129.07013	0.4
131.08594	0.7
133.10086	1.0
135.08037	0.5
136.57718	0.4
137.05962	0.6
137.09610	1.5
142.07857	0.4
143.08507	0.5
145.10112	1.1
147.11736	0.6
149.09639	0.9
151.07533	1.1
157.10103	0.7
159.08051	0.5
159.11732	1.0
161.09627	0.6
163.11226	0.5
165.09122	9.9
167.07178	0.4
167.08508	0.5
167.10538	0.4
169.10057	0.4
173.09636	0.7
175.11063	0.5
175.14847	0.6
177.09129	0.6
183.10316	0.4
183.11766	0.4
189.09079	0.7
191.10762	0.4
195.11806	0.3
199.14923	0.3
201.09171	0.4
203.05267	1.0
203.10701	0.8
205.12154	0.5
219.48874	0.4
259.11044	0.3
273.12866	0.5
275.07434	0.6
289.15689	0.5
317.08591	0.5
333.07944	4.9
334.15683	0.5
335.09515	10.2
336.09555	0.4
339.17737	1.2
361.17734	0.5
367.99457	0.3
417.20789	0.4
443.22537	0.7
453.29816	0.4
471.21967	100.0
472.22363	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05463	0.6
69.00124	1.7
69.00548	2.1
69.03372	0.5
71.82922	0.4
78.37064	0.3
81.07024	0.5
85.02868	0.6
93.06976	0.6
95.04923	0.7
105.06996	0.4
107.08589	0.4
109.06505	0.5
123.07929	0.4
135.13625	0.4
137.05966	0.6
139.03876	0.5
147.08035	0.4
161.09550	0.4
169.04787	0.8
184.07344	0.4
185.04178	0.6
189.08926	0.5
256.94150	0.4
271.97839	0.4
291.15625	0.5
293.64551	0.4
303.05087	0.5
309.16711	100.0
310.17035	5.6
324.81461	0.4
325.03165	4.1
326.03680	0.6
361.04178	0.8
471.09573	4.1
471.22021	61.2
472.22440	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2201
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
55.05498	0.8
58.62840	0.4
61.81235	0.4
67.05510	1.3
69.03416	0.6
69.07071	1.2
74.47945	0.5
79.05479	1.2
79.05923	0.5
79.40137	0.4
81.07066	3.5
83.04986	1.0
84.74619	0.4
91.05459	1.4
93.07051	1.4
95.08602	1.7
97.06526	0.7
105.07033	1.3
107.08608	0.9
109.02867	0.7
109.06487	0.9
109.10156	1.0
109.25550	0.5
119.08576	0.8
120.77375	0.4
121.10169	0.6
123.04419	0.5
125.09642	0.5
127.03952	0.6
128.06259	0.5
129.06970	0.5
131.08585	0.7
133.10152	0.8
135.11832	0.4
137.05914	0.9
137.09639	0.7
143.08592	0.8
145.10071	0.6
147.11639	0.5
155.08592	0.8
157.10114	0.9
161.06027	0.5
161.09666	0.7
161.20261	0.4
165.09166	2.4
167.08522	0.5
169.10042	0.6
171.11772	0.5
179.08574	0.5
185.09647	0.7
203.05333	0.7
231.11801	0.5
259.11069	0.7
275.07138	0.9
275.10410	0.5
297.12775	0.5
317.08551	0.7
333.07828	3.8
335.09473	8.8
339.17725	0.9
361.17957	1.0
407.20023	0.4
410.92020	0.5
417.20511	0.6
443.22336	1.0
453.20789	1.2
471.21957	100.0
472.22351	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01888	0.2
55.05514	68.5
55.84048	0.2
56.05854	0.9
57.07080	0.3
66.08690	0.2
66.30254	0.1
67.05507	1.2
69.03440	0.4
69.07066	0.8
71.04999	0.5
71.31559	0.3
79.05484	1.1
81.07052	1.9
83.04984	100.0
83.08631	0.6
84.05307	1.9
91.05474	1.3
93.07047	2.0
95.04964	0.4
95.08611	2.6
97.06507	0.5
97.10174	0.2
99.04435	0.2
99.08076	0.5
105.07030	1.8
107.08595	2.4
109.06504	0.6
109.10165	1.4
111.04459	0.2
111.08068	0.5
117.07026	0.3
119.08576	2.2
121.06480	0.2
121.10156	1.8
123.08069	0.7
123.11715	0.9
125.09606	0.4
127.07547	0.4
127.11198	0.5
128.06129	0.2
129.07050	0.4
131.08580	0.8
133.10110	1.7
135.08061	0.4
135.11707	0.9
137.09621	0.3
142.07750	0.2
143.08554	0.6
144.09441	0.2
145.10123	1.4
147.07993	0.3
147.11678	1.4
149.09627	0.6
149.13248	0.6
151.11147	0.3
153.12831	0.2
155.08577	0.2
156.09273	0.2
157.10132	0.9
159.08151	0.2
159.11707	1.1
161.09608	0.5
161.13223	0.7
163.11172	0.7
163.14755	0.3
165.09142	0.2
165.12750	1.3
169.10088	0.4
171.11670	0.8
173.09642	0.2
173.13245	0.6
175.11246	0.4
175.14847	0.6
177.12633	0.2
181.12221	0.2
183.11699	0.3
185.13226	0.5
187.14766	0.4
189.12904	0.2
189.16316	0.4
191.14252	0.3
194.10893	0.2
195.11673	0.2
197.13318	0.4
199.11166	0.2
199.14754	0.7
201.12796	0.3
201.16400	0.5
205.15926	0.3
209.13252	0.4
211.14786	0.2
213.16451	0.2
215.14200	0.3
217.15849	0.4
222.13966	0.2
223.14656	0.2
225.16446	0.2
229.15869	0.2
231.13803	0.2
235.16867	0.5
249.18483	0.4
257.15298	0.2
283.20593	0.2
287.09042	0.2
294.95142	0.2
295.16733	0.3
301.21533	0.4
309.18246	0.2
330.31888	0.2
340.16696	0.2
389.19348	0.6
389.24255	0.2
417.23691	0.2
435.24939	0.4
435.32663	0.4
453.33795	0.8
471.35248	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41698	0.2
53.03948	1.8
55.05511	66.2
56.05851	0.9
57.07096	0.2
67.05505	1.2
69.07072	0.7
69.28187	1.4
79.05499	0.8
81.07069	1.7
81.24496	0.2
83.04979	100.0
83.08604	0.3
84.05321	2.1
91.05454	0.5
93.07037	1.6
95.08608	3.6
97.06516	0.3
97.10159	0.2
105.07022	1.3
107.08581	2.1
109.06463	0.3
109.10165	1.4
111.08098	0.4
119.08578	1.3
121.10149	1.9
123.08074	0.4
123.11691	0.6
131.08574	0.4
133.10110	1.2
135.08070	0.2
135.11694	1.1
145.10089	0.7
147.08055	0.2
147.11688	0.9
149.09584	0.4
150.61574	0.2
153.09140	0.3
159.11693	0.8
161.09648	0.3
161.13258	1.3
163.11121	0.3
167.10741	0.3
169.10156	0.3
171.11591	0.3
173.13263	0.5
175.11174	0.6
175.14839	0.5
181.12259	0.3
187.14745	0.4
189.16289	0.5
201.16464	0.3
209.13289	0.2
213.16351	0.3
217.15820	0.3
221.15263	0.3
223.51668	0.2
227.06966	0.5
235.16844	0.7
247.17001	0.3
249.18538	0.5
325.14099	0.2
334.15454	0.3
343.11871	0.2
355.15063	0.3
383.18652	0.4
387.17654	0.2
389.19659	1.1
390.19705	0.3
393.58194	0.2
435.32086	0.6
453.33524	0.4
471.34045	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71331	0.4
55.05506	1.9
66.52126	0.5
67.05502	0.7
69.03413	2.3
69.07066	2.1
69.55795	1.9
70.19159	0.4
71.04594	0.7
71.04991	13.3
71.05370	0.9
78.50206	0.4
79.05520	0.5
79.66080	0.6
81.07045	1.3
83.04978	1.8
91.05482	0.6
93.07068	1.0
95.08601	1.5
105.07031	1.1
107.08627	0.9
109.10166	0.6
119.08572	1.2
121.10141	1.0
131.08562	0.5
145.10107	0.6
147.11673	0.6
159.08034	0.4
161.13219	0.4
167.07069	0.6
175.07617	0.6
189.09111	0.5
191.10760	0.6
197.13141	0.4
199.07494	0.5
211.07587	0.8
215.06982	0.7
219.10062	0.5
225.09160	0.4
226.06271	0.6
227.06995	1.1
229.08565	0.7
236.08397	0.6
237.05489	0.6
239.07054	1.0
240.07950	0.7
241.05048	0.5
241.08623	1.5
242.09280	0.5
243.06453	0.8
247.07376	0.7
248.08295	0.9
249.09303	1.0
250.09848	0.6
251.07007	0.8
251.10689	1.0
252.07790	0.5
253.04785	0.6
253.08646	1.0
254.09395	0.9
255.06567	1.7
256.07272	1.4
257.07993	1.1
262.09833	0.7
263.07150	0.8
263.10730	1.7
264.07916	1.1
264.11423	0.9
265.05008	0.6
265.08563	1.9
265.12155	0.8
266.05728	0.5
266.09271	0.6
267.06516	2.4
267.10147	1.3
268.07343	0.6
269.08041	1.6
270.08881	1.0
271.06058	1.0
271.09476	0.7
272.06631	1.2
276.08041	0.5
276.11063	0.5
277.08548	1.3
277.12161	0.9
278.09518	1.0
279.06744	0.9
279.10168	4.3
279.13098	0.8
280.07339	0.9
280.10855	1.2
281.05399	0.5
281.08087	2.2
281.11456	0.6
282.08954	2.1
283.06033	1.7
283.09634	1.4
284.06723	0.9
284.10345	0.6
285.07602	1.0
285.11157	1.0
286.08334	0.9
287.09174	1.3
290.09537	0.7
291.06851	0.8
291.10165	2.4
292.07434	0.6
292.10895	1.9
293.08112	2.4
293.11789	1.7
294.05328	0.8
294.08978	1.2
294.12341	1.1
295.06323	0.9
295.09613	2.5
295.13232	2.7
296.06955	0.8
296.10452	1.6
297.07626	3.0
297.11185	1.4
298.08432	2.2
299.05753	0.9
299.09155	2.5
300.09790	0.6
301.07190	1.3
301.10663	0.8
302.07919	0.8
302.11288	0.5
303.08972	0.7
305.08209	0.8
305.11722	2.2
306.09100	1.0
306.12497	1.8
307.06256	0.8
307.09708	3.9
307.13324	1.3
308.06976	0.6
308.10379	2.7
308.13599	0.5
309.07538	1.4
309.11249	2.3
309.14819	1.5
310.08374	0.7
310.11942	1.1
310.15475	1.4
311.05841	0.8
311.09119	2.3
311.12857	1.3
312.10007	1.4
313.07339	0.9
313.10672	4.0
314.11530	1.5
315.08752	1.6
316.09470	0.6
317.10458	1.9
318.10977	4.1
319.09644	1.1
320.10220	0.8
321.07727	0.9
321.11069	2.9
322.08633	0.7
322.11884	2.9
323.09122	2.5
323.12796	7.0
324.06497	0.7
324.09888	2.4
324.13489	1.8
325.06967	1.8
325.10684	3.3
325.14111	0.8
326.11319	1.1
326.14999	0.8
327.08881	0.8
327.12329	2.9
328.12943	1.1
329.06573	1.1
329.10425	1.0
330.11108	1.6
331.12180	1.8
332.12595	1.7
333.07663	0.8
333.10934	0.7
333.13788	0.7
335.09183	1.9
335.12808	1.5
336.09833	1.5
336.13608	0.9
337.10611	2.2
337.14383	5.9
338.11420	1.1
338.15152	4.3
339.08578	1.5
339.12247	4.9
339.15970	1.5
340.12979	1.8
341.10168	2.5
341.13831	1.1
341.17557	1.5
343.08182	0.9
343.11969	1.1
344.12683	0.9
345.09573	0.9
345.13538	3.2
347.12762	1.1
347.16486	0.6
348.13510	0.7
349.10635	1.5
349.14459	1.3
350.11508	1.0
351.08734	0.6
351.12152	2.1
352.13083	1.1
353.10123	1.1
353.13852	3.7
354.10809	1.0
354.14557	3.7
355.11664	1.6
355.15353	5.2
356.12631	0.6
357.09576	2.0
357.13141	0.7
358.14233	0.7
359.07092	0.5
359.10696	2.8
359.14908	1.6
361.14359	1.1
363.12216	1.5
364.12784	1.1
365.13831	1.8
366.10718	0.9
366.14658	1.6
367.11810	2.9
367.15585	0.8
368.12393	1.5
368.16367	0.9
369.13147	3.8
369.17007	12.0
370.13837	1.2
370.17786	6.6
371.10757	2.1
371.15106	2.2
372.11691	1.1
373.13904	0.5
374.15192	0.7
375.15936	2.3
376.16818	0.8
377.13654	1.2
379.15408	1.1
381.13168	2.6
382.14001	2.6
383.14871	2.6
384.15729	3.5
385.16409	2.0
386.17453	5.7
387.14056	2.8
389.17572	0.9
391.15347	2.8
392.16238	1.5
393.16931	0.7
395.14871	1.7
397.16397	4.9
398.16895	0.6
399.18277	1.0
401.19901	24.2
402.15985	2.6
403.17514	1.3
406.17722	1.5
407.18765	2.9
409.16232	1.1
411.17715	1.0
415.17377	2.7
416.17990	0.6
421.20108	2.9
422.20776	0.7
423.17963	0.6
424.18845	3.0
425.19699	2.9
429.19052	0.6
438.20200	0.7
439.21140	14.6
440.21915	17.6
441.22256	1.5
453.22668	2.4
456.21384	0.9
471.23764	100.0
472.24155	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.238
Annotation	Anthoptilide A
Peak:m/z	Relative Intensity
51.06049	0.2
53.03946	2.4
55.05513	65.4
56.05855	1.2
67.05523	0.4
67.28609	0.2
69.07062	0.5
70.45032	0.4
70.45343	0.2
79.05489	0.3
81.07050	0.5
83.04982	100.0
84.05316	2.0
91.05495	0.4
93.07056	0.6
95.08601	0.9
96.02715	0.2
105.07014	0.5
107.08598	0.6
109.10150	0.8
117.07021	0.2
117.87453	0.2
118.49446	0.2
119.08580	0.4
121.10114	0.4
131.08572	0.3
133.10112	0.4
135.11671	0.2
145.10133	0.4
147.11722	0.4
154.94167	0.2
157.10165	0.3
159.11668	0.4
163.11147	0.2
172.95270	0.4
173.13272	0.3
175.11154	0.3
179.37236	0.2
187.26385	0.2
190.96201	0.2
207.11722	0.2
229.16052	0.2
255.06340	0.3
288.09988	0.2
340.16507	0.2
389.19348	0.4
407.25854	0.2
435.24985	0.3
453.17490	0.2
471.17728	0.5
471.34561	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.5
51.02384	1.2
53.03711	0.5
53.03949	8.0
55.01869	0.4
55.05511	73.2
55.41933	0.3
56.05846	1.0
67.05505	0.4
69.07071	0.6
69.20563	0.4
69.20901	2.6
76.73587	0.3
77.03928	1.4
79.05500	0.5
81.03408	0.7
81.07047	0.8
82.95578	0.3
83.04980	100.0
83.60648	0.3
84.05312	2.0
84.91185	1.9
91.05495	0.7
93.07028	0.9
94.65974	0.3
95.04971	6.5
95.08585	1.0
97.06541	0.4
105.03390	64.7
105.04527	3.1
105.06995	0.6
105.83784	0.3
106.03732	2.1
107.08579	0.9
109.10168	0.3
117.07116	0.3
119.08574	1.1
121.10133	0.7
131.08568	0.4
133.10100	1.0
134.10406	0.4
135.11714	0.5
145.10123	0.6
147.11591	0.3
159.11659	0.6
161.13257	0.6
188.08441	0.4
287.09061	0.4
325.14380	0.4
349.10532	0.8
355.15219	0.6
389.19305	1.3
441.12933	0.5
471.13776	0.9
471.33856	0.7
489.17856	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	1.0
50.91142	0.9
51.02391	1.2
53.03934	4.4
55.01858	3.4
55.05512	8.2
55.86453	1.1
57.17774	1.2
59.04981	3.6
65.03929	4.2
67.05185	1.0
67.05511	16.2
69.03090	1.3
69.03433	13.8
69.07069	7.6
71.04981	3.9
77.03925	2.1
77.21097	1.1
79.05067	2.4
79.05495	29.9
81.03407	2.9
81.07059	44.7
82.63567	1.0
83.05001	8.1
83.08621	1.9
85.02898	1.4
85.06526	1.9
91.05484	53.0
92.05765	1.2
92.22742	1.1
93.06472	2.0
93.07043	34.2
95.04979	18.8
95.08609	17.2
97.02892	13.6
97.06526	7.1
98.23349	2.6
99.04459	7.3
103.05447	5.3
105.03371	1.3
105.04536	2.3
105.07033	75.6
106.07309	2.0
107.04942	6.2
107.08598	28.6
108.08858	1.3
109.02860	3.7
109.06523	41.0
109.10165	12.8
111.04461	6.5
111.08079	7.4
113.05965	1.3
115.04028	1.2
115.05454	5.5
116.06226	4.6
117.07030	23.8
119.04942	4.1
119.08585	38.6
121.06508	13.0
121.10155	13.1
123.04436	13.3
123.08068	14.2
123.11665	1.3
125.05972	4.4
125.09598	1.6
127.03898	1.7
128.06201	8.1
128.23529	1.3
129.07022	15.5
130.07843	5.5
131.04938	2.9
131.08569	40.3
132.08867	1.4
132.12502	1.3
133.06503	52.0
133.10132	18.7
134.10474	1.4
135.08058	21.3
135.11676	3.5
137.05981	56.8
137.07037	2.8
137.09604	4.6
139.07529	7.9
141.07021	7.4
142.07802	5.6
143.08557	24.3
144.05690	1.6
144.09314	4.1
145.06491	19.6
145.10130	40.6
146.07216	2.3
146.10550	2.2
147.08058	24.4
147.11681	7.3
148.08536	1.1
149.06015	7.0
149.09625	23.0
149.13258	1.5
151.07582	9.6
151.11176	2.7
153.06953	2.3
154.07744	2.7
155.08562	13.2
156.09325	4.2
157.06485	4.1
157.10123	17.7
159.08066	25.0
159.11702	18.0
160.08684	1.6
161.05975	1.4
161.09627	14.2
161.13234	4.1
163.07547	63.1
163.11174	12.1
164.08260	4.0
165.06969	5.4
165.09102	11.5
166.07730	1.8
167.07019	8.5
167.08525	6.4
168.09326	1.9
169.08594	6.2
169.10104	12.2
171.08066	10.9
171.11720	11.1
173.05946	1.8
173.09622	20.9
173.13280	5.2
174.10271	1.3
175.07556	11.5
175.11127	7.0
176.08241	1.9
177.09109	15.0
178.07744	2.8
179.08461	3.4
179.10703	19.3
180.09315	4.0
180.10854	1.4
181.08617	2.3
181.10065	9.9
182.10802	2.7
183.07990	2.7
183.11685	8.6
184.08792	1.5
185.09602	8.7
185.13229	9.0
187.07484	4.9
187.11180	10.9
187.14688	1.4
188.11961	1.2
189.09108	7.4
189.12770	5.7
191.06992	2.5
191.10669	69.5
192.09401	2.1
192.11096	4.5
193.10081	8.1
193.12227	4.2
194.10864	2.4
195.08014	2.8
195.11688	7.0
196.08829	2.3
197.09648	6.3
197.13301	7.4
199.07399	1.9
199.11234	7.2
201.09047	3.5
201.12753	2.9
201.16348	1.3
203.08693	2.2
203.10660	13.8
203.14307	3.8
205.08516	1.8
205.10159	3.2
205.12206	20.0
206.10938	2.9
207.09991	2.1
207.11697	7.0
207.13759	3.0
208.12474	3.1
209.09596	4.0
209.11433	1.8
209.13269	7.5
210.14122	1.7
211.11121	7.6
211.14790	4.2
213.09041	2.8
213.12730	10.6
215.10625	4.8
215.14275	3.5
216.11157	1.2
217.08432	1.3
217.10342	2.4
217.12222	7.7
218.10829	2.4
219.09969	2.1
219.11865	2.5
219.13713	2.2
220.08795	1.2
221.09706	2.1
221.13210	4.2
222.10258	1.4
223.11168	4.2
223.14833	8.5
224.12079	1.2
225.09082	2.3
225.12708	7.9
225.16258	2.3
227.10646	3.9
227.14226	2.8
229.12318	6.2
231.10086	3.1
231.13792	26.5
233.13213	3.9
233.15263	12.3
234.13858	2.7
235.11273	1.7
235.14854	1.9
237.12741	4.2
237.16306	2.1
239.10666	3.0
239.14305	2.8
241.08585	1.4
241.12209	4.3
241.15834	3.6
243.09949	2.3
243.13771	10.2
245.15422	8.6
247.14864	2.0
249.12935	2.1
249.14830	34.1
251.14412	5.9
253.12230	2.5
253.15822	3.3
255.13763	4.2
257.11609	1.7
257.15335	3.7
259.13205	1.9
259.17026	1.6
261.12759	1.7
262.13361	1.9
263.14429	2.2
263.17963	4.3
265.10641	12.8
265.15817	1.6
265.19168	1.1
267.13724	3.9
269.15350	14.5
271.16882	4.4
277.15823	2.1
279.13724	7.5
279.17349	1.6
280.14563	1.6
281.12262	1.3
281.15277	5.5
281.18921	4.5
283.16870	5.5
285.15216	2.5
285.18399	5.0
287.16397	3.7
287.19705	2.0
291.17508	6.3
295.13428	2.3
295.16931	5.6
297.14767	13.5
297.18433	4.8
298.15390	1.6
298.18716	1.5
299.16309	10.6
299.20016	10.6
300.16660	1.3
301.18210	10.2
307.16833	4.0
309.18454	21.0
310.18851	2.5
313.17938	5.0
315.15948	20.5
315.19452	2.8
316.16534	1.8
317.17554	5.9
319.16760	6.8
325.17789	4.9
327.19559	29.8
337.17993	32.8
338.18292	3.3
341.11246	2.0
345.20490	3.7
355.19043	100.0
356.19241	8.9
373.20105	40.7
374.20358	1.2
375.19391	1.2
389.21460	5.5
393.20477	1.6
399.19211	2.4
405.19968	1.7
407.22256	5.4
411.21634	6.6
417.20306	6.9
423.21622	3.9
425.23074	2.4
435.21671	21.2
436.21881	1.8
441.22565	3.3
453.22443	25.6
454.22946	2.9
471.23602	89.2
472.23929	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	8.0
55.05513	22.5
56.30632	4.6
57.03433	5.4
62.42883	4.1
67.05505	42.2
69.07064	36.5
71.05006	5.6
79.05497	26.4
81.07053	42.5
83.04977	20.9
83.08601	7.7
85.06497	5.6
91.05483	51.3
93.07047	60.5
95.04964	16.8
95.08044	7.6
95.08603	95.2
95.09156	7.0
97.06521	12.7
104.62186	3.8
104.78868	4.2
105.07037	64.9
107.08599	54.2
109.06519	16.2
109.10152	26.5
111.04434	6.3
111.08073	17.0
117.07012	21.7
117.93623	3.9
119.08584	66.7
121.06509	15.1
121.10155	33.9
123.08067	27.7
123.11720	11.7
124.62727	4.2
125.09659	10.7
127.48517	4.0
128.06241	12.1
129.07004	24.5
130.07779	4.4
131.08572	44.7
133.06522	7.8
133.10144	46.8
135.08041	21.1
135.11687	13.4
137.06004	7.8
137.09543	5.3
139.07568	7.3
141.06985	12.5
142.07770	11.3
143.08565	62.7
144.09297	6.7
145.10118	62.2
147.08051	7.8
147.11668	37.3
149.05916	4.3
149.09595	7.6
149.13243	7.1
153.06918	5.8
154.07796	5.5
155.08556	33.0
156.09367	19.5
157.10114	56.4
158.10600	5.5
159.08064	10.7
159.11690	54.3
161.09604	27.2
161.13245	23.4
163.11211	10.7
165.07016	5.2
166.07869	5.7
167.08633	11.8
168.09373	6.4
169.10165	30.1
170.10938	8.2
171.08061	5.9
171.11667	38.5
172.12329	5.4
173.09656	32.5
173.13255	29.1
175.11201	18.6
175.14836	7.2
179.08540	8.0
180.09396	8.2
181.10086	25.3
182.10962	10.4
183.11688	30.6
185.09647	11.9
185.13239	34.0
187.11168	22.1
187.14839	22.2
189.12733	14.3
189.16399	8.2
193.10068	13.9
195.11685	24.7
196.12505	4.0
197.09682	5.5
197.13223	40.9
199.11183	10.1
199.14764	20.2
201.12766	12.4
201.16418	9.0
203.14281	9.3
205.12151	5.6
206.10974	5.7
207.11690	10.5
208.12379	7.6
209.13194	23.6
211.11139	10.4
211.14716	24.3
213.12776	12.7
213.16399	12.2
215.14265	9.2
215.17944	6.0
219.11688	8.6
221.13231	16.5
223.11267	10.2
223.14824	12.0
224.24248	4.1
225.12764	12.0
225.16331	11.1
226.17159	5.0
227.10689	6.3
227.14304	8.8
227.17924	12.5
229.15884	13.1
231.11745	5.8
231.13809	9.2
233.13274	7.6
233.15347	5.7
235.14771	12.3
237.16414	9.9
239.14458	6.3
239.17987	8.5
241.15924	4.9
241.19395	11.9
243.13817	10.6
247.14848	11.1
249.16354	15.6
251.17920	14.5
253.15781	6.3
253.19655	6.6
255.13800	7.3
255.17538	5.3
257.15472	4.9
259.14917	5.7
265.15869	8.4
265.19476	8.1
267.14032	4.6
267.20978	5.7
269.19061	15.4
277.15887	6.6
279.17242	8.3
281.15350	9.9
283.16940	15.8
289.15958	4.7
289.19186	5.2
293.18924	5.8
295.16949	18.2
295.20236	9.1
297.18521	9.9
311.20013	6.5
313.18030	6.2
321.18588	5.0
323.20111	5.9
323.23581	5.5
339.19464	11.4
351.23108	10.3
357.20837	10.1
361.25146	14.4
363.26669	5.6
365.24667	9.1
367.22391	9.2
367.26382	18.1
369.24286	11.9
371.23541	7.5
377.24582	10.4
379.26474	10.3
381.27759	8.8
385.27368	4.8
389.24591	39.6
390.25226	7.2
391.26303	13.3
399.23172	10.7
405.24219	12.0
407.25864	66.5
408.26166	6.9
409.27350	42.3
417.24246	64.9
418.24286	8.6
423.24875	7.0
425.26907	24.2
435.25330	100.0
436.25497	16.2
453.26370	82.5
454.26633	12.6
471.27530	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.7
55.05515	12.5
57.72305	2.2
67.05501	26.1
69.03436	6.9
69.07073	8.2
79.05508	15.5
81.07051	17.9
83.04985	29.2
83.08618	2.4
85.06552	8.8
86.89933	2.6
87.73780	3.1
90.53812	2.6
91.05482	21.4
93.07050	32.3
95.04978	8.4
95.08611	55.2
97.06585	3.7
98.22564	5.3
103.05513	4.2
105.07035	37.1
107.08591	21.5
109.06506	5.5
109.10160	13.9
111.04459	8.3
111.08083	11.6
113.05968	2.6
115.05460	3.2
117.06997	12.0
119.08578	31.3
119.41823	2.3
121.06516	10.6
121.10142	12.0
123.08070	21.8
123.11688	2.4
125.05948	3.1
128.06168	17.0
129.07010	11.3
130.07855	4.1
131.08559	24.0
133.06491	4.5
133.10117	21.7
135.08076	7.8
135.11702	7.6
139.07584	5.6
141.07034	8.3
141.09099	5.2
142.07793	11.6
143.08562	54.2
144.09273	3.0
145.06531	3.0
145.10135	31.0
147.08047	12.9
147.11688	10.4
149.09653	2.9
153.07014	4.5
154.07710	3.8
155.08585	20.7
156.09367	13.1
157.10135	35.8
159.08038	8.4
159.11699	45.7
161.09613	18.4
161.13290	11.1
163.07526	2.8
163.11208	5.0
165.06990	8.9
167.08557	9.7
168.09343	6.2
169.10167	22.8
170.10838	10.3
171.08075	25.0
171.11682	29.0
172.12233	3.1
173.09636	7.7
173.13278	19.1
174.10237	3.2
175.11217	5.4
175.14867	4.2
179.08571	11.3
180.09308	5.7
181.10114	22.8
183.08046	6.1
183.11670	25.3
184.12456	6.0
185.09631	6.4
185.13219	19.4
187.07529	4.5
187.11147	9.9
187.14854	8.1
189.09264	3.1
189.12769	11.5
192.09282	5.3
193.10101	11.9
194.10944	10.4
195.08109	2.9
195.11700	26.4
196.08734	3.8
196.12305	4.6
197.09645	4.6
197.13240	18.2
199.07574	4.2
199.11267	7.8
199.14856	7.6
201.12726	12.3
203.14310	3.9
206.10977	5.5
207.11691	24.2
207.13548	4.3
208.12392	8.7
209.09671	6.4
209.13231	27.2
210.13989	3.3
211.11140	13.9
211.14737	13.9
213.09001	3.6
213.12770	9.7
218.10770	3.3
219.11667	7.3
219.13675	3.4
220.12384	6.7
221.09682	4.9
221.13269	13.3
222.14000	3.9
223.11191	9.3
223.14815	17.1
224.15218	2.9
225.12811	6.7
225.16382	9.0
227.10735	6.1
227.14372	6.8
229.12288	8.4
229.31331	3.0
231.13768	3.2
232.12511	2.9
233.13565	4.7
234.14110	4.6
235.11238	4.3
235.14784	10.1
236.15327	3.5
237.12724	7.6
237.16393	6.3
239.10666	4.5
239.14432	6.3
239.17947	3.2
241.12155	4.8
245.13110	3.0
245.15381	4.3
247.11063	3.1
247.14978	6.2
249.16432	11.0
250.17159	3.6
251.14223	6.4
251.18007	8.9
253.12334	3.8
253.15831	4.3
255.13773	10.3
255.17401	2.8
257.15567	6.0
263.14395	6.7
263.18008	4.7
265.15826	15.8
267.13916	5.5
267.17444	7.4
269.15393	11.0
273.16269	3.6
275.14645	3.7
275.17938	4.8
277.15833	12.8
277.19003	2.2
279.17355	4.1
281.15256	5.9
283.17035	2.7
291.17267	2.8
293.15390	4.8
295.16922	29.8
296.17429	5.7
297.18585	6.0
299.20093	8.3
303.17371	4.5
307.17096	4.0
309.18216	3.7
311.20108	3.5
313.17813	8.1
321.18509	13.8
325.21597	5.5
331.19266	5.7
335.20117	4.0
339.19638	8.6
349.21521	28.6
359.20251	3.9
363.23199	4.2
365.24298	3.8
367.22662	3.7
371.23907	4.9
373.21582	5.3
377.21130	25.0
379.26205	3.4
389.24640	20.8
391.22476	22.9
392.23230	4.0
393.23926	3.4
395.22186	40.4
396.22488	3.6
399.22980	15.3
407.25745	22.4
408.26166	2.8
409.23602	19.6
417.24234	63.4
418.24585	8.7
425.26471	5.1
435.19296	4.8
435.25323	100.0
436.25571	8.6
453.26346	48.3
454.26651	5.5
471.26962	7.7
471.34030	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3106
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
55.01884	6.4
55.05511	14.1
55.62074	4.7
66.23862	4.2
67.05506	22.0
69.07070	18.6
79.05505	21.3
81.07062	26.6
83.08656	6.3
85.06543	6.1
91.05480	22.0
93.07050	45.8
95.04992	5.7
95.08607	62.8
97.06520	23.2
98.98466	5.2
105.03402	5.7
105.07030	32.4
107.08599	42.6
109.10184	21.4
119.08601	26.1
121.06550	6.8
121.10144	33.7
123.04464	6.1
123.08060	12.7
123.11716	19.4
129.07004	6.1
131.08554	12.9
133.10150	19.3
135.08083	4.9
135.11710	16.2
138.03094	8.5
139.11250	4.8
143.08574	17.2
145.10139	18.3
147.11768	23.7
149.09557	5.1
149.13225	8.6
153.05469	100.0
153.06705	5.9
155.08559	9.5
157.10141	13.4
159.08105	4.6
159.11723	14.9
161.09598	6.7
161.13271	17.3
163.11229	6.8
167.07115	22.0
167.08473	5.1
169.10143	7.9
171.08006	8.7
171.11794	7.2
172.95247	4.7
173.13239	15.7
175.11220	9.5
175.14876	6.7
181.12186	5.5
183.11679	8.1
185.13274	5.3
187.07578	7.9
187.14914	4.8
189.09169	5.6
192.07883	6.5
197.13268	13.8
201.12830	5.6
201.16380	6.2
205.08557	5.0
207.10182	7.2
209.13243	10.5
211.14764	6.0
213.34590	4.0
219.10110	9.9
220.10985	13.4
221.11726	33.3
227.14264	4.9
235.16972	16.3
249.11256	16.4
255.17357	4.6
295.20526	5.6
299.16315	5.7
303.15887	10.7
317.17419	33.6
329.41364	4.6
330.84814	5.1
393.27771	18.5
435.28461	22.5
462.11301	5.2
471.34686	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39998	1.7
53.03957	4.1
55.05511	18.3
57.03422	2.2
57.07076	4.7
60.92801	1.8
65.03953	2.4
67.05502	33.5
69.07067	16.4
69.10341	14.6
74.08566	1.8
74.34970	1.9
75.52412	1.7
79.05489	24.6
80.54718	1.9
81.07054	62.1
83.04982	6.1
83.08626	13.0
85.06510	3.1
91.05470	19.8
93.07043	69.6
95.04971	8.8
95.08601	100.0
97.06518	8.9
97.10151	3.7
98.23421	4.1
99.04459	2.6
105.03417	2.0
105.06424	1.4
105.07027	43.9
107.07864	3.8
107.08591	71.8
109.06504	5.4
109.10149	45.4
110.10564	2.1
111.08113	10.6
111.08753	2.0
113.06051	3.0
117.07019	7.3
119.08569	44.9
119.09324	2.9
121.06533	3.6
121.10137	68.6
123.08092	13.3
123.11709	23.2
125.09624	3.5
131.08568	14.3
133.06502	4.1
133.10124	37.4
135.08018	9.7
135.11676	29.0
136.93153	2.7
137.09619	4.6
137.13248	4.3
139.07494	5.2
139.11188	2.6
141.09109	4.1
142.07742	2.9
143.08568	8.1
145.10114	23.2
147.08043	6.6
147.11670	30.7
149.09618	6.2
149.13261	16.1
151.11293	2.7
151.14868	3.3
153.09113	5.1
154.94174	4.6
155.08356	2.8
157.10149	6.8
159.08078	2.1
159.11671	22.2
160.12357	2.1
161.09598	7.3
161.13254	38.0
163.11185	8.9
163.14844	5.9
165.09106	3.2
167.10612	9.3
169.10204	4.1
170.33519	1.9
171.11719	7.2
172.95348	3.4
173.09654	4.5
173.13222	19.2
175.11176	10.2
175.14806	15.6
177.12790	2.6
177.16360	4.1
179.10727	2.2
181.12239	16.9
185.13245	3.8
187.11171	3.8
187.14798	11.3
189.12820	3.0
189.16400	14.0
191.14384	3.4
193.12262	5.0
193.15819	2.0
195.13786	3.3
197.13298	3.3
199.14856	5.6
201.16422	8.2
203.14378	5.9
203.17963	3.0
205.15953	3.1
207.13795	3.7
209.15440	3.6
213.16405	3.9
215.14195	3.8
215.17929	2.5
217.15935	5.8
217.19603	2.7
219.13960	2.4
219.17430	5.9
221.15324	8.9
223.16948	5.0
229.15939	4.9
231.17375	3.3
233.15376	6.5
235.16911	25.6
237.18488	5.6
243.17342	2.4
247.16907	15.5
249.18576	8.9
261.18561	6.1
289.21625	2.4
299.08447	4.0
317.18140	2.2
393.27939	2.6
407.33066	3.3
417.31247	3.7
425.34265	8.9
435.32498	18.7
453.33344	9.7
471.18323	3.3
471.34552	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3467
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
53.03956	5.6
55.05512	23.9
57.07079	5.0
57.69838	2.6
67.05502	42.1
69.07065	25.9
69.28325	15.6
71.08640	3.0
77.39136	2.7
78.21939	2.5
79.05490	36.7
81.07057	72.6
81.07525	4.5
83.04984	11.0
83.08613	13.3
84.05272	2.7
85.06546	8.8
90.27286	2.6
91.05475	30.3
91.81622	2.6
93.06470	4.8
93.07044	74.2
94.07420	3.0
95.04969	11.4
95.08608	99.9
97.06546	10.3
97.10173	7.4
97.19932	2.5
101.06043	3.0
105.07022	65.9
107.08593	100.0
109.06507	4.1
109.10152	52.5
111.08091	9.5
113.06050	3.5
115.07584	2.9
117.07029	8.8
119.08572	82.9
120.08898	3.8
121.06512	6.7
121.10145	78.5
122.10518	4.5
123.08062	9.3
123.11707	25.4
125.09628	3.3
129.07039	5.3
131.08562	26.3
132.08846	2.9
133.10133	64.7
134.98222	3.5
135.08087	11.2
135.11676	32.9
137.09622	4.2
137.13287	7.1
139.07593	3.8
143.08572	10.8
145.10127	40.4
147.08035	5.1
147.11694	49.1
149.09615	9.2
149.13264	20.3
151.11148	3.6
153.09125	9.1
157.10127	14.4
159.08066	4.5
159.11668	40.0
161.09613	11.1
161.13261	49.3
163.11227	15.3
163.14906	3.9
165.09151	4.4
167.10707	8.6
169.10149	5.0
171.11700	10.9
173.09569	4.6
173.13234	30.9
175.11165	13.5
175.14819	25.4
177.12756	3.5
177.16484	9.0
179.10593	6.6
181.12218	17.7
183.11714	4.2
185.13321	14.0
187.14796	21.5
189.12755	6.7
189.16367	17.9
191.14346	6.7
193.12340	2.8
195.13770	5.5
197.13205	4.8
199.14883	9.9
201.16418	19.7
203.14345	6.7
203.17920	6.4
205.15918	5.0
209.15372	7.6
211.14732	4.7
213.16434	4.7
215.14339	6.3
215.17972	11.4
217.15909	11.3
217.19434	5.3
219.17532	3.3
221.15425	9.1
223.16888	4.4
227.14290	3.7
227.18016	4.7
229.15932	5.2
229.19601	3.3
231.17542	7.1
232.12354	3.3
233.15378	8.0
233.19159	2.9
235.16925	19.2
237.18454	5.4
243.17546	7.0
247.16942	12.0
249.18433	12.7
253.19354	3.0
261.18561	5.6
311.23282	4.8
325.25238	2.9
343.26245	4.4
379.30142	4.6
397.30862	7.3
407.32990	10.3
417.31696	8.6
425.34290	18.9
426.34061	2.9
435.32693	35.3
453.17831	3.8
453.33878	17.2
471.18607	17.0
471.24838	7.2
471.34955	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3472
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
53.03931	3.9
55.01879	3.1
55.05509	14.9
57.07082	3.0
65.03943	4.0
67.05502	38.1
69.07072	17.2
69.24970	18.0
79.05495	26.7
81.07058	62.7
83.04992	5.5
83.08605	8.5
85.06559	3.0
91.05488	23.1
93.07043	63.2
95.04974	8.2
95.08607	100.0
97.06524	9.5
99.04441	2.9
105.07027	43.2
107.08597	72.4
109.06524	7.7
109.10152	44.4
111.08123	5.5
113.05952	3.7
117.07001	5.9
119.08587	58.6
120.75843	2.3
121.06477	6.4
121.09278	5.5
121.10139	63.4
123.08067	8.6
123.11716	27.3
125.09663	4.1
129.09174	3.0
131.08565	15.1
133.09201	1.9
133.10130	49.9
135.08060	8.9
135.11696	32.6
137.09604	4.9
139.07568	4.0
141.09148	6.2
143.08595	4.8
145.10110	24.9
147.08073	5.4
147.11684	32.5
149.09637	8.2
149.13248	11.8
151.11165	3.4
153.09094	7.5
157.10161	7.8
159.11687	21.9
161.09616	10.2
161.13266	38.2
163.11183	9.4
163.14801	3.3
165.09184	3.6
167.10670	6.3
169.10135	3.6
171.11655	6.5
173.09689	3.2
173.13246	21.3
175.11192	9.7
175.14767	13.4
177.16354	5.6
179.10724	4.8
181.12228	13.7
185.13313	9.5
187.14828	12.9
189.12759	5.2
189.16406	13.4
191.14195	4.2
193.12222	4.0
193.15919	3.8
195.13794	5.2
197.13414	2.9
199.14917	6.4
201.12813	3.0
201.16365	12.8
203.14337	4.8
203.17880	3.0
205.15836	4.8
207.13905	3.0
209.15395	9.7
213.16452	6.2
215.14328	4.7
215.17888	4.9
217.15880	8.9
217.22072	2.9
219.17479	3.2
221.15387	6.4
223.16878	4.4
229.15898	6.1
231.17560	4.3
233.15347	5.5
235.16982	21.5
237.18391	5.6
243.17351	3.8
247.16917	13.7
249.18584	13.9
255.17593	2.9
261.18414	7.3
275.20111	2.8
289.21396	3.1
311.23373	3.3
337.25104	3.5
397.30899	3.8
407.33051	6.1
417.31464	8.0
425.34103	9.2
435.32568	19.6
453.33527	9.5
456.10971	2.8
471.34802	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90580	2.0
53.03965	1.6
55.01869	2.6
55.05507	15.0
57.07066	5.3
65.03949	1.7
67.05511	36.4
67.61858	1.5
69.03435	2.8
69.07067	11.9
71.04984	4.3
71.31034	2.3
71.36396	1.6
72.25651	1.6
73.88532	1.8
79.05497	26.4
81.06582	3.0
81.07058	56.0
83.04984	2.7
83.08628	10.9
85.06549	10.0
86.42929	1.8
91.05486	20.0
91.84880	1.7
93.07048	59.2
95.04981	7.5
95.08608	100.0
96.08949	3.3
97.06518	13.1
97.10182	3.3
99.04472	2.8
99.08123	2.0
105.07033	41.8
107.04969	1.9
107.08602	68.3
109.06527	7.4
109.10162	46.1
110.10503	2.0
111.04445	2.3
111.08077	8.5
113.06006	3.7
117.07022	6.3
119.08581	53.9
121.06528	4.7
121.10145	63.1
121.11018	3.0
123.08083	12.5
123.11707	22.0
125.09647	4.0
127.07568	2.9
129.07010	2.5
130.07814	1.8
131.08575	14.3
133.06505	3.0
133.10133	34.2
133.11063	3.2
135.08067	8.2
135.11690	31.0
137.06059	2.1
137.09596	3.6
137.13243	3.3
139.07556	4.6
141.09126	5.0
142.07802	2.1
143.08582	5.8
145.10130	22.4
147.08060	5.9
147.10571	3.2
147.11678	26.9
149.09587	6.1
149.13283	9.7
153.09106	5.6
155.08598	2.0
157.10136	8.9
159.08061	3.3
159.11694	26.5
161.09618	12.8
161.13260	40.2
163.11195	9.2
163.14833	5.0
165.09152	2.6
167.10701	7.8
169.10126	4.6
171.11688	6.8
173.09686	4.0
173.13293	17.1
175.11229	11.5
175.14799	16.6
176.15285	2.0
177.12828	5.6
177.16411	4.1
179.10693	2.5
179.14326	2.1
181.12227	12.5
182.88754	1.6
183.11758	3.3
185.13257	5.2
187.11218	2.9
187.14848	11.9
188.10210	1.9
189.12782	7.0
189.16382	12.6
191.14374	2.9
193.12247	3.7
193.15874	2.1
195.13838	5.0
197.13264	3.7
199.14777	4.9
201.12794	3.4
201.16396	11.6
203.14304	5.0
203.17859	4.8
205.15814	2.6
207.13713	2.9
209.13376	2.3
209.15421	5.2
211.14728	2.8
213.16483	4.9
215.14359	4.4
215.17973	5.7
217.15906	10.8
217.19450	1.9
219.13748	2.4
219.17499	2.4
221.15324	8.7
223.14951	2.1
223.16969	6.8
227.18044	2.6
229.15964	6.7
231.17439	6.2
233.15443	4.5
235.16901	25.8
237.18567	4.1
240.04166	2.7
243.17570	4.1
243.20985	2.1
247.16989	12.9
249.18526	12.9
261.18497	6.0
267.06866	1.7
275.20062	3.9
286.04666	3.5
289.65634	1.9
297.21957	1.8
301.07181	2.9
307.10071	2.6
311.23993	2.5
337.10873	3.2
339.12473	2.6
339.26837	2.2
343.26352	3.6
369.13330	3.5
397.30554	2.4
407.33072	5.1
417.31403	4.8
425.34207	5.9
435.32602	17.2
453.18918	4.0
453.33755	12.0
471.34961	15.7
472.34518	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98773	1.1
53.03946	3.6
55.01849	1.6
55.05317	1.1
55.05516	12.4
57.03448	1.4
57.07072	4.5
59.97633	1.1
60.88866	1.1
65.03941	2.4
67.05503	38.8
69.03418	2.0
69.07067	17.8
69.35497	3.3
69.35912	4.3
71.04983	2.8
73.43394	1.3
76.58300	1.2
79.05493	24.7
81.07056	57.9
83.04964	3.5
83.08619	11.9
85.06522	3.0
91.05477	22.6
93.07040	57.4
94.07383	1.6
95.04978	7.6
95.08603	100.0
96.08933	3.0
97.06526	10.6
97.10164	3.8
99.04430	2.6
101.06009	1.2
103.05477	1.2
105.03398	2.5
105.04530	1.2
105.07030	43.4
107.08591	70.0
109.06506	4.8
109.10155	49.0
109.10916	2.1
111.04420	1.7
111.08079	7.9
113.05991	4.9
117.07020	5.7
119.08575	54.3
121.06490	5.1
121.10136	63.6
123.08079	10.9
123.11710	26.2
125.09624	4.1
127.07567	1.7
128.06227	2.6
129.07007	3.0
130.07730	1.5
131.08575	14.8
133.06461	2.1
133.10127	38.5
135.08040	9.3
135.11693	31.5
137.05963	2.4
137.09586	6.1
137.13228	5.8
139.07529	5.0
139.11151	2.8
141.09085	4.9
142.07759	1.2
143.08533	8.3
145.10126	22.8
147.08047	6.8
147.11682	30.4
148.11978	1.3
149.09619	9.0
149.13231	14.5
151.11168	2.2
151.14830	1.4
153.09096	5.2
155.08536	2.2
157.10110	8.4
159.08047	2.4
159.11687	22.3
161.09637	13.5
161.13251	40.4
163.11169	9.7
163.14761	5.6
165.09134	3.4
165.12723	1.2
167.10686	7.2
169.10130	3.6
171.08005	2.0
171.11684	6.7
172.08824	1.1
173.09602	3.2
173.13258	16.8
175.11177	15.4
175.14822	12.5
176.15108	1.6
177.09016	1.7
177.12694	3.7
177.16364	3.4
179.10626	5.6
181.12234	15.5
183.11682	3.3
185.13281	4.7
187.11176	2.1
187.14825	11.6
189.12775	5.6
189.16383	12.1
191.14360	3.2
193.10416	1.4
193.12303	3.2
193.15944	3.2
195.13789	3.8
197.13222	3.9
199.14868	6.0
201.09091	1.9
201.12788	2.6
201.16353	9.2
203.14273	3.7
203.17990	4.1
205.15855	3.0
207.13785	2.8
209.13377	1.6
209.15366	5.1
211.14864	2.7
213.12816	1.4
213.16377	4.0
215.14276	3.6
215.18027	4.9
217.15858	8.7
219.13756	3.4
219.17429	2.3
221.15283	9.3
223.16884	5.2
225.16408	1.5
227.14200	1.3
229.15845	6.4
229.19408	1.9
231.17422	4.1
233.15361	5.2
234.59937	1.3
235.16911	27.5
236.17320	1.3
237.18434	5.8
239.14325	2.2
243.17456	3.9
247.16908	15.7
249.18484	13.1
261.18408	6.6
267.13666	1.5
269.18860	1.2
269.22421	1.4
275.20135	2.2
289.21500	1.7
299.16394	2.4
303.23019	1.6
317.17596	2.0
317.24994	1.3
329.24670	1.6
343.26373	2.4
355.26508	1.5
397.30960	4.3
407.32971	4.4
417.31552	5.5
425.34216	6.6
435.32770	16.1
436.32770	1.5
453.33929	12.2
454.33551	1.6
471.18832	1.7
471.25146	2.5
471.34921	14.0
472.34979	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3469
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
55.05515	22.6
57.07074	7.9
61.47320	1.7
66.49193	1.5
67.05506	31.6
69.03423	1.9
69.07070	22.6
70.56342	3.9
71.04997	1.8
79.05488	15.8
81.07056	49.5
83.04984	3.4
83.08610	15.6
85.06554	4.2
91.05452	14.4
93.07045	42.6
93.25668	1.8
95.04975	7.5
95.08605	100.0
96.08957	2.7
97.06532	8.4
97.10155	11.6
99.04446	6.4
101.06036	3.9
104.59583	1.9
105.07030	31.8
107.08595	66.4
108.08881	2.4
109.06518	5.3
109.10155	60.7
111.08090	7.2
113.06020	5.1
115.07587	2.2
117.07034	2.7
119.08578	45.7
121.06516	4.9
121.10137	66.2
123.08086	14.1
123.11693	37.1
125.09655	3.5
129.07028	2.6
131.08588	9.3
133.10129	40.7
135.08080	9.0
135.11699	38.4
135.12686	3.0
137.09602	4.1
137.13235	9.8
139.07568	4.1
141.09114	4.3
143.08519	4.8
144.09409	1.6
145.10143	14.7
147.08095	5.0
147.11679	37.5
149.09642	9.4
149.13240	14.3
151.11165	3.3
153.09082	9.7
157.10153	7.7
159.08144	2.5
159.11699	24.2
161.09644	10.0
161.13254	42.8
163.11163	8.9
163.14801	6.3
165.09216	2.1
167.10675	14.7
171.11673	6.0
173.09650	2.9
173.13266	17.1
175.11208	9.5
175.14780	12.7
177.12755	3.6
177.16348	4.8
179.10660	4.9
181.12248	8.8
183.11739	3.3
185.13313	3.0
185.15985	1.8
187.11296	2.9
187.14767	11.1
189.12749	4.0
189.16408	14.4
191.10710	2.2
193.12222	4.0
195.13818	7.1
197.13307	3.3
199.14828	4.3
201.12791	3.6
201.16406	7.3
203.14304	6.3
203.17984	4.9
205.15894	5.2
209.15340	4.5
211.14761	3.4
213.16496	3.0
215.14331	5.9
215.17924	4.2
217.15875	6.9
219.13853	3.4
219.17413	3.6
221.15352	9.7
223.16902	9.8
227.17934	2.0
229.15921	6.5
231.17500	3.2
233.15331	7.4
235.16937	26.0
237.16402	1.9
237.18526	7.2
245.15169	2.0
247.16943	12.5
249.18520	22.7
262.65887	1.7
263.20544	1.9
269.18973	1.9
275.19983	2.5
289.21579	1.9
301.21777	2.0
329.24890	2.9
343.26324	4.7
355.26492	2.4
407.33282	4.9
417.31500	2.8
425.34055	5.9
435.32498	13.1
453.33481	11.5
465.81274	2.2
471.34677	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.7
55.05514	45.5
57.03440	2.0
57.07068	6.1
65.03936	2.9
67.05507	38.8
67.05842	3.7
69.03426	2.1
69.06017	12.3
69.06434	5.8
69.06738	3.5
69.07069	33.0
71.04990	3.6
71.28941	1.8
79.05483	20.2
81.07056	49.9
83.04985	4.0
83.08632	24.2
83.92278	1.8
85.06551	5.9
91.05474	21.5
93.07043	53.4
95.04972	9.2
95.08609	100.0
97.06528	8.7
97.10165	19.8
98.23356	4.1
99.04456	4.4
99.08080	2.3
101.06027	3.9
103.05470	1.9
105.07032	36.6
107.07870	3.0
107.08591	62.6
109.06524	7.2
109.10158	52.1
111.08102	7.0
113.06015	4.7
117.07015	4.7
119.08583	46.0
121.06534	3.6
121.10146	51.4
123.08064	18.4
123.11720	23.8
125.09667	5.4
126.06237	1.7
127.07630	1.8
131.08554	18.2
133.10139	40.4
134.98192	3.6
135.08073	5.8
135.11702	29.0
137.09628	6.1
137.13272	6.3
139.07542	3.1
141.09122	7.8
142.07745	2.8
143.08578	6.4
143.10652	3.6
145.10110	23.7
147.08029	2.2
147.11700	27.5
149.09630	9.1
149.13257	12.1
151.11168	2.8
153.09103	3.3
155.10699	2.3
156.09296	2.9
157.10077	11.2
159.08147	2.8
159.11691	25.1
161.09624	7.6
161.13258	26.1
163.11212	5.5
163.14880	6.5
167.10730	9.6
169.10191	7.0
171.11687	8.5
173.09613	2.8
173.13258	15.4
175.11201	7.6
175.14799	10.3
175.43111	2.6
177.12770	5.7
177.16423	2.7
179.10739	4.6
181.12283	7.0
183.11748	4.4
185.13278	3.7
187.11147	4.1
187.14807	9.5
189.12770	4.4
189.16432	10.4
191.10628	2.0
191.14392	2.2
193.12198	4.2
195.13779	3.1
197.13240	5.5
199.10971	2.3
199.14862	4.3
201.12740	4.0
201.16405	7.6
203.14391	3.4
203.17970	3.4
205.12186	3.4
205.16054	2.4
211.14861	3.9
213.12624	3.4
215.14345	3.5
215.18004	4.3
217.15880	5.5
219.13715	4.8
221.15335	6.8
223.14832	2.3
223.16988	3.7
225.16345	3.9
227.14267	2.7
227.18045	2.4
229.15839	4.7
231.17372	2.3
233.15384	8.2
235.16913	13.9
237.18492	4.8
247.16978	7.5
249.18584	7.2
253.15929	2.0
260.66074	2.2
261.18619	2.6
269.18896	2.0
275.20099	7.4
289.21658	4.5
301.21579	3.2
311.23715	2.5
315.23230	3.4
316.37106	2.1
329.24768	3.3
337.21613	2.0
339.23230	2.9
343.26425	2.9
355.26254	2.5
375.25281	3.5
387.25330	8.0
398.86957	1.8
407.33200	4.6
411.32504	6.5
412.71649	2.1
417.31866	2.5
425.34027	5.3
429.30807	2.2
435.32541	12.3
453.33701	11.6
471.24738	2.5
471.34818	29.8
472.34909	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3469
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
50.18822	1.8
53.03927	2.7
55.05515	25.9
57.07068	5.0
59.04998	2.2
65.03945	2.3
67.05511	33.7
67.05856	1.6
69.07070	22.1
71.04980	2.0
73.91774	1.6
79.05499	21.0
81.07059	49.2
82.13581	1.9
83.04992	2.7
83.08618	12.8
85.06537	6.9
91.05476	19.4
93.07045	52.0
95.04967	7.1
95.08611	100.0
97.06544	10.3
97.10191	12.3
98.22556	3.6
99.04446	6.6
101.05997	3.6
105.06375	3.2
105.07035	41.2
107.08598	66.3
108.08923	2.3
109.06534	6.4
109.10159	50.5
111.08076	6.7
113.05991	6.4
115.07498	1.9
117.07026	5.3
119.06048	1.7
119.08581	52.1
121.06548	2.5
121.10144	65.0
121.11014	3.3
122.10480	2.0
123.08102	10.2
123.11719	26.0
125.09653	4.8
127.07571	3.0
130.07822	2.3
131.08585	15.5
133.09204	3.3
133.10129	38.3
135.08061	6.9
135.11694	27.2
136.11978	1.9
137.09602	4.0
137.13240	9.2
139.07547	4.2
139.11212	2.6
141.09094	4.1
143.08562	6.6
145.10114	21.1
147.11693	30.4
149.09622	7.8
149.13255	8.2
153.09122	7.0
156.09296	1.9
157.10144	9.8
159.11671	22.4
161.09586	8.4
161.13263	34.9
163.11179	6.2
163.14806	6.3
167.10674	12.1
169.10153	2.5
171.11673	5.0
173.09570	2.1
173.13286	16.9
175.11162	8.5
175.14803	11.4
177.12837	2.7
177.16438	3.4
179.10667	5.5
181.12309	6.7
183.11711	3.6
185.13245	3.4
187.14835	9.5
189.12767	5.4
189.16383	12.6
193.12157	3.0
195.13802	5.1
197.13289	2.7
199.14838	4.6
201.12656	2.6
201.16391	8.4
203.14243	4.3
203.17917	4.1
205.15886	3.2
207.13797	3.4
209.13377	2.0
211.14780	4.2
213.16379	4.1
215.14281	3.3
215.17943	3.9
217.15875	8.2
219.17351	1.8
221.15361	7.9
223.16960	7.6
227.17773	1.9
229.15909	5.7
229.19701	3.4
231.17465	5.3
233.15387	4.8
235.16875	22.2
237.18471	5.4
239.17860	2.2
247.16989	12.9
249.18501	15.8
261.18454	5.0
275.20001	4.0
289.21729	3.4
311.23602	2.7
323.23737	2.1
329.24719	3.5
339.26865	2.2
343.26340	2.7
375.25116	2.2
387.25122	4.2
407.33060	4.2
411.32681	3.1
417.31482	3.7
425.34174	6.6
435.32697	10.8
453.33566	10.3
471.34662	21.3
472.34662	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57922	5.4
55.05512	17.9
57.07069	5.5
67.05511	36.0
69.07016	60.4
79.05479	27.8
81.07056	60.6
83.08590	8.8
91.05463	20.6
93.07040	55.9
95.08609	100.0
97.06522	8.4
97.10183	6.9
100.01447	6.0
105.07028	47.9
107.08589	60.8
108.08871	5.1
109.06532	8.0
109.10152	41.2
113.06038	8.1
119.08581	55.1
121.10157	59.3
123.08055	12.7
123.11700	31.6
127.04302	7.1
131.08578	17.4
133.10124	39.4
135.08099	10.3
135.11711	26.2
137.09633	6.2
137.13286	7.7
145.10158	21.3
147.11659	29.7
149.09636	8.0
149.13255	6.9
157.10165	7.7
159.11667	21.8
161.09680	7.9
161.13177	30.4
163.11211	6.8
167.10695	12.2
173.13254	17.0
175.11136	10.5
177.16422	8.2
185.13228	8.1
187.14812	10.2
189.16371	7.3
195.13799	6.9
199.14737	6.3
203.18002	7.0
217.15849	6.9
223.16943	7.1
235.16846	16.3
247.16907	6.9
249.18436	7.0
251.42006	6.0
355.26764	6.5
382.09555	6.4
394.09393	5.8
417.31384	6.0
435.32285	12.7
471.34753	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	19.8
56.41688	3.6
57.07075	7.6
65.03932	4.2
65.39222	3.6
67.05505	37.5
69.07069	21.7
69.29131	3.8
71.08603	4.8
74.60625	3.5
79.05489	27.1
81.07059	54.5
83.04980	5.9
83.08617	12.7
84.50836	3.3
91.05481	13.1
93.07043	49.4
95.04973	12.2
95.08609	100.0
96.47382	3.4
97.06534	8.5
97.10167	8.8
99.04478	5.2
105.07047	34.1
106.24994	3.4
107.08602	68.5
109.10151	46.6
111.08099	8.3
113.06002	8.0
117.11238	3.7
119.08583	44.0
121.06466	4.4
121.10151	62.6
123.08090	10.5
123.11704	23.7
125.04600	3.5
129.07019	5.2
131.08572	11.4
133.06577	3.6
133.10130	37.5
135.08044	7.1
135.11687	25.8
141.09111	3.8
143.08545	4.7
145.10141	25.5
147.07988	4.0
147.11681	37.4
149.09595	7.5
149.13242	12.2
153.09161	8.3
157.10118	6.7
159.11700	19.8
161.09645	10.7
161.13258	31.1
163.11211	12.9
167.10696	10.3
171.11760	5.4
173.09734	5.4
173.13257	17.9
175.11191	8.6
175.14857	15.2
177.12782	5.2
179.10696	6.9
181.12253	14.2
185.13278	7.5
187.14870	10.9
189.08931	3.5
189.12729	7.3
189.16423	8.0
195.13806	5.5
197.13342	4.7
199.14816	5.6
199.44502	3.4
201.16415	5.1
203.14249	4.7
205.15807	3.7
207.13911	4.2
209.15443	7.3
215.14362	5.8
215.17709	5.2
221.15331	8.5
229.15819	7.1
231.17540	6.0
233.15439	8.0
235.16980	21.3
247.17020	15.6
249.18460	12.6
275.20010	3.4
280.72678	4.0
417.31552	6.2
425.34189	3.6
435.32608	15.7
447.98154	3.7
453.33194	9.5
471.34818	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	24.5
57.07076	13.6
57.77130	10.7
63.55245	11.7
67.05499	53.7
69.07058	31.5
79.05505	28.1
81.07060	51.2
83.08615	27.7
91.05497	20.8
93.07052	49.7
95.08615	100.0
97.10131	15.4
98.22599	35.4
105.07047	35.3
107.08601	46.6
109.10168	44.9
117.07034	14.2
117.45188	12.3
119.08598	60.5
121.10173	57.2
123.08066	20.9
123.11745	24.0
131.08577	20.3
133.10121	53.7
135.08072	11.9
135.11693	40.5
145.10086	15.9
147.11708	45.4
159.11705	29.9
161.13269	31.1
165.70244	11.5
181.12257	12.5
201.16255	14.5
202.23599	11.8
210.63814	10.9
215.22511	13.5
235.16939	13.8
410.32968	13.0
471.34445	28.2
493.22519	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3469
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
52.87003	1.6
53.03954	2.4
53.74847	1.7
55.01868	1.8
55.05513	13.7
57.07073	2.7
61.72161	1.8
67.05508	36.8
69.07072	16.1
69.34375	12.9
70.07030	1.7
71.08632	2.1
79.05495	27.0
81.07059	59.4
81.07528	4.0
82.07382	2.0
83.04990	2.7
83.08623	7.3
89.28616	1.5
91.05483	17.7
93.07047	56.7
95.04964	5.9
95.08608	100.0
96.08942	2.3
97.06544	9.0
97.10165	3.4
105.07033	37.5
107.08599	56.5
109.06538	3.6
109.10160	49.7
109.44625	1.7
111.08099	7.6
113.06017	5.1
117.07041	5.4
119.08582	51.3
121.06507	5.4
121.10146	60.7
123.08092	11.3
123.11717	20.2
125.09612	4.6
129.06982	3.2
131.08585	10.5
133.06519	3.4
133.10135	43.2
135.08084	5.9
135.11674	31.3
137.09589	3.6
137.13275	3.2
139.11171	2.0
141.09113	4.4
143.08583	3.0
145.10117	18.0
147.08052	5.8
147.11696	31.7
149.09630	8.1
149.13281	9.6
153.09129	4.1
157.10124	7.5
159.11703	22.1
161.09636	11.2
161.13261	43.2
163.11201	6.8
163.14845	4.9
165.09062	2.2
167.10704	8.2
171.11723	5.2
173.09625	2.5
173.13242	16.4
175.11197	10.2
175.14812	14.1
177.16376	2.2
179.10660	5.0
181.12183	9.3
183.11703	2.8
185.13310	5.2
185.56790	2.0
187.14886	11.2
189.12784	5.4
189.16342	11.2
193.12247	2.5
195.13858	3.5
199.14883	5.5
201.12677	2.6
201.16418	7.9
203.14398	4.8
203.17998	3.7
204.89073	1.9
205.15912	4.6
209.15300	4.2
211.14838	2.4
213.16478	4.1
217.15950	11.3
221.15428	10.3
222.08484	2.0
223.14763	2.4
223.16899	3.9
227.17891	2.2
229.15865	6.6
231.17406	4.2
233.15448	2.8
233.93884	1.8
235.16927	28.0
236.17407	2.3
237.18518	4.6
247.16905	12.9
249.18542	12.4
255.17570	2.1
261.18512	3.6
269.27127	2.1
275.20087	3.5
329.24637	2.8
343.26453	2.4
357.27951	2.2
397.31149	2.5
407.33057	2.1
417.31421	4.0
425.34177	5.2
435.32684	13.5
453.33643	7.4
471.34692	8.9
471.77505	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.05511	12.9
56.62547	1.7
57.07068	4.2
66.09094	1.7
67.05505	30.8
69.06779	1.7
69.07074	19.3
70.46268	2.0
71.04990	1.8
73.13684	1.7
79.05490	16.1
81.07058	53.8
83.04987	2.4
83.08612	6.7
85.06565	1.6
91.05482	17.9
93.07044	56.1
95.04970	6.8
95.08607	100.0
97.06518	9.2
97.10121	2.4
97.56778	1.5
98.22587	3.2
99.04441	2.0
101.06010	1.7
105.06377	2.5
105.07031	36.1
107.08593	63.1
109.06536	4.9
109.10153	46.2
111.08081	5.4
113.05999	4.0
117.07027	6.0
119.08583	49.8
121.06525	5.0
121.10146	56.1
122.10451	3.1
123.08057	13.4
123.11704	27.3
123.99580	1.9
125.09589	3.9
129.09120	1.9
131.08588	9.3
133.06456	2.1
133.10133	33.8
135.08046	5.9
135.11682	31.8
137.09599	2.9
137.13231	5.3
139.07539	3.5
141.09134	3.9
143.08559	7.0
145.10107	17.2
147.08061	6.2
147.11682	29.0
149.09624	8.6
149.13284	13.1
151.11185	2.8
153.09122	8.4
157.10136	8.0
159.08092	2.8
159.11700	20.0
161.09616	11.2
161.13261	42.1
163.11194	11.4
163.14824	6.5
163.35867	1.7
165.09076	3.5
167.10661	7.3
167.75706	1.6
169.10049	2.5
171.11682	6.2
173.09663	1.9
173.13268	16.9
175.11237	9.1
175.14836	11.7
177.16354	4.8
179.10704	6.4
181.12212	9.0
183.11690	3.2
185.13260	5.0
185.91765	1.8
187.11290	2.3
187.14828	10.7
189.12794	3.7
189.16354	10.6
191.14253	3.1
193.12270	2.9
195.13786	3.0
197.13081	2.0
199.14815	6.3
201.12674	3.6
201.16408	7.0
203.14290	5.4
203.17920	3.5
205.15965	3.3
207.13719	4.0
209.15407	4.8
211.14891	2.8
213.16414	3.5
215.14287	4.1
215.17934	4.1
217.15919	8.4
219.17418	4.2
221.15393	11.9
223.16937	4.8
229.15898	4.2
229.19470	3.0
231.17397	5.8
233.15375	4.2
235.16940	25.5
237.18532	3.4
239.17908	2.7
243.17366	2.1
245.88654	1.8
247.16982	12.4
249.18419	9.4
261.18454	6.5
303.23148	2.2
339.26645	2.2
341.21542	1.9
397.30853	2.1
407.32986	4.2
417.31537	4.8
425.34106	5.1
435.32440	16.8
436.32748	2.4
453.33630	10.3
454.26486	2.2
471.34653	13.3
472.27853	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3471
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
53.03951	2.3
55.05509	16.3
57.03425	1.9
57.07067	3.7
57.76625	1.1
58.59226	1.3
59.05013	1.8
62.50998	1.2
65.03954	2.0
67.05505	35.7
69.07071	20.3
69.97284	5.1
71.05000	3.1
76.72491	1.2
79.05488	26.4
79.05912	2.3
81.07057	59.4
82.65771	1.1
83.04992	3.8
83.08617	9.2
85.06561	2.7
87.04455	1.4
91.05473	21.6
93.07044	62.3
95.04992	7.7
95.05927	1.3
95.08605	100.0
96.08932	2.2
96.53773	1.1
97.06521	8.5
97.10169	4.2
99.04456	3.0
105.07027	45.5
106.07364	1.8
107.08591	68.7
109.06525	5.9
109.10153	46.5
110.10509	1.7
111.04447	2.0
111.08055	10.1
113.06017	5.4
116.85094	1.4
117.07034	5.7
119.08582	60.6
120.08949	2.2
121.06512	5.5
121.10140	71.2
123.08060	14.4
123.11704	24.2
125.09632	5.1
129.07037	2.1
131.08557	13.2
133.06493	1.7
133.10130	41.4
134.98192	2.8
135.08058	12.3
135.11694	36.4
137.09637	5.8
137.13290	3.6
139.07550	5.5
139.11151	2.3
141.09137	4.2
142.07764	2.1
143.08572	5.4
145.10103	23.9
147.08035	6.0
147.11687	32.8
149.09633	7.7
149.13257	13.6
151.11203	2.7
153.09105	9.2
157.10130	7.9
158.10706	1.9
159.08032	2.7
159.11694	23.0
160.12294	1.5
161.09621	11.7
161.13263	37.7
161.14560	2.4
163.11186	10.5
163.14842	4.5
165.09140	4.5
167.10606	9.4
169.10184	2.2
171.11665	7.1
173.09610	4.7
173.13257	19.6
173.14629	1.8
175.11195	11.1
175.14848	16.7
175.16232	2.2
177.09273	1.4
177.12741	4.6
177.16420	4.8
177.36166	1.2
179.10728	4.4
181.12212	15.0
183.11635	3.3
185.13254	4.7
187.11250	2.7
187.14833	13.1
189.12759	4.0
189.16365	9.5
191.14348	3.7
193.12248	3.2
193.15916	3.1
195.13843	5.3
197.13287	3.8
199.14844	5.1
201.12790	3.9
201.16371	8.9
203.14294	4.7
203.17995	3.4
205.15845	3.2
207.13773	2.4
209.13481	1.7
209.15317	6.4
211.14857	2.6
213.16425	3.7
215.14328	3.5
215.18010	3.8
217.15871	6.5
219.13705	2.5
219.17458	2.0
221.15337	8.4
223.16998	3.5
229.16019	7.1
231.17473	5.5
233.15436	3.8
235.16920	20.5
237.18492	6.0
239.18262	1.4
243.17442	2.0
245.18950	1.6
247.16896	16.8
249.18451	9.4
259.17004	1.5
261.18564	8.8
301.21564	1.4
311.23734	1.4
329.24854	1.7
331.26279	2.0
339.26978	1.5
343.26117	1.4
353.24762	1.6
365.28476	2.3
397.31183	3.5
407.33163	4.2
417.31567	6.1
425.33902	8.3
435.32584	18.0
453.33508	9.3
471.25015	1.7
471.34808	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80986	1.3
53.03942	3.3
55.01866	1.6
55.05515	15.0
57.07061	4.6
67.05507	33.4
69.03425	2.0
69.05040	12.2
69.05456	3.0
69.07067	20.4
71.04973	1.7
71.08632	1.7
75.91444	1.4
77.03853	1.7
79.05494	23.4
80.33815	1.6
81.07061	55.6
82.07370	2.0
83.04977	4.8
83.08624	12.6
85.06534	3.1
87.04435	1.4
87.78851	1.5
91.05478	20.9
93.07047	62.1
94.07358	2.7
95.04967	8.1
95.08609	100.0
96.08936	4.4
97.06540	8.9
97.10168	4.1
99.04475	2.6
105.07034	39.9
106.07351	2.1
107.08597	63.7
109.06499	3.2
109.09453	3.0
109.10159	46.2
111.08064	9.1
113.05992	5.8
115.05427	1.6
117.07027	7.4
119.08583	48.6
120.08915	3.6
121.06505	7.1
121.10146	65.4
122.10499	2.9
123.08058	8.6
123.11700	21.6
125.09641	4.7
128.06212	1.9
129.07019	3.2
129.09129	2.0
131.08566	18.0
133.06485	2.3
133.10124	41.9
134.10461	2.0
135.08047	8.4
135.11707	32.1
137.09605	4.3
137.13248	5.0
139.07533	4.4
140.18942	1.6
141.09077	2.5
142.07700	2.7
143.08583	8.8
145.10114	22.7
147.08070	5.0
147.11687	32.8
149.09689	7.2
149.13275	12.3
151.11177	4.4
153.09079	6.6
155.08537	3.5
156.09360	2.1
157.10175	9.7
159.08047	2.6
159.11681	20.9
160.12015	2.5
161.09586	8.5
161.13266	40.0
162.13565	1.8
163.11182	9.6
163.14839	5.6
165.09114	2.5
167.10718	7.2
169.10152	2.5
171.11716	7.2
173.09697	2.3
173.13284	16.9
174.13730	2.8
175.11212	11.5
175.14845	16.9
177.12785	3.8
177.16423	3.1
179.10695	4.3
181.12262	11.2
183.11685	3.9
185.13197	4.2
185.25116	1.5
187.11151	4.3
187.14796	8.9
189.12720	4.4
189.16379	11.7
191.14322	4.6
193.12254	3.7
193.15909	3.6
195.11710	2.2
195.13716	3.5
197.13303	3.4
199.14853	7.4
201.12746	5.5
201.16406	11.1
203.14325	4.4
203.17947	2.7
205.15889	2.9
207.11812	2.1
207.13814	2.9
209.13402	1.6
209.15382	6.1
211.14879	3.1
213.12959	1.7
213.16422	3.8
215.14294	4.6
215.17886	3.3
217.15953	8.2
219.13844	1.6
219.17413	3.6
221.15341	9.2
223.16893	3.6
225.16481	2.0
225.90036	1.7
229.15892	5.2
231.17448	4.3
233.15379	4.0
235.16931	23.7
237.18547	4.2
243.17439	3.3
247.16983	13.3
248.17363	1.7
249.18546	9.1
255.17221	1.5
261.18469	5.6
267.17252	1.5
275.20129	2.6
289.21494	1.7
329.24921	2.9
343.26407	3.4
375.26883	1.5
397.31128	2.3
407.33105	5.3
415.45990	1.6
417.31277	4.4
425.34058	6.9
435.26514	2.0
435.32397	18.5
453.33884	9.6
454.33981	2.0
471.25134	2.4
471.34360	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.01888	2.3
55.05514	23.3
56.53792	2.2
56.88924	2.0
57.07076	8.6
59.05014	2.9
67.05504	29.0
69.07069	37.1
69.59612	7.8
71.04985	8.1
71.08593	2.5
73.06564	2.1
79.05498	29.9
81.07063	62.6
83.04995	4.3
83.08621	18.8
87.88269	2.1
91.05475	29.4
93.07045	75.1
93.07629	4.3
95.04944	3.1
95.08604	73.1
97.06534	4.9
97.10180	6.2
99.08096	8.1
105.07028	68.5
106.07349	2.2
107.08595	100.0
108.08910	2.4
109.06523	7.0
109.10157	70.7
111.08080	5.1
113.09632	2.6
115.07549	3.7
117.07041	10.9
119.08578	80.9
120.08890	2.8
121.06531	3.8
121.10141	86.3
122.10499	2.8
123.08083	6.7
123.11714	30.6
125.09598	2.3
127.11200	22.9
129.06972	4.5
129.09029	2.1
130.07671	2.7
131.08585	22.3
133.06488	3.1
133.10126	68.1
134.10495	2.6
135.08067	10.4
135.11694	71.5
136.11978	2.9
137.09618	5.2
137.13226	6.9
143.08586	12.1
143.10643	2.1
145.10109	34.6
147.08070	6.2
147.11690	61.6
148.12054	2.6
149.09616	16.2
149.13252	23.0
151.11220	4.5
151.14854	2.7
155.10692	3.5
157.10110	12.3
159.11707	44.1
160.11990	2.7
161.09627	9.7
161.13237	34.7
163.11140	11.3
163.14832	9.1
167.10692	8.9
167.56981	2.2
169.10123	2.9
171.11731	7.7
173.09674	2.7
173.13266	22.1
175.11176	17.7
175.14827	25.1
177.12769	7.9
177.16425	7.7
181.12175	11.3
185.13287	7.4
187.03691	4.4
187.14830	12.0
188.03996	6.3
189.04271	3.6
189.12746	7.1
189.16388	30.1
191.17967	6.3
193.12192	3.9
193.15826	3.1
195.13788	12.4
199.14798	6.3
201.12759	4.3
201.16394	32.9
203.14227	2.8
203.17960	34.2
205.15874	4.0
207.13928	3.4
209.15375	7.1
209.52904	2.4
213.16357	6.2
215.17961	19.0
217.15900	4.8
217.19553	5.8
219.17453	6.2
221.15639	2.4
223.14839	2.8
223.16887	5.9
229.19530	5.5
231.17389	13.9
233.15498	3.0
233.19009	11.4
235.17033	5.8
237.18515	6.0
243.20886	3.7
249.18538	12.7
251.20074	7.1
257.22699	2.3
261.18414	2.5
263.20023	18.7
385.30988	5.7
397.31058	3.4
421.34698	8.7
439.35596	11.4
453.37338	38.7
454.37418	4.7
471.39261	11.1
498.27148	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	3.8
54.35209	2.0
55.05511	24.6
57.03414	5.5
57.07062	6.4
67.05182	2.7
67.05502	36.9
69.06741	2.5
69.07068	31.1
71.04967	4.8
74.75051	2.3
75.84566	1.9
79.05492	29.7
81.07051	61.0
83.04957	8.3
83.08620	14.3
84.00530	2.0
85.06541	4.0
88.34715	1.9
91.05471	20.8
93.06482	4.1
93.07043	67.7
95.04932	5.1
95.08601	100.0
97.06489	6.1
97.10138	7.2
99.08054	5.4
105.07035	50.5
107.08588	97.5
109.06456	4.8
109.10154	48.3
111.08082	4.6
111.11736	2.5
113.09635	35.1
117.06983	6.4
117.13170	2.0
119.08577	75.8
121.06474	3.0
121.10134	81.3
122.10467	3.0
123.08022	4.9
123.11694	34.4
125.09615	3.7
127.11172	2.1
129.07024	2.5
130.07761	2.0
131.08556	15.6
133.06447	3.1
133.10123	57.7
134.10339	2.1
135.08035	11.0
135.11693	37.5
137.13225	7.8
139.07544	2.0
139.11153	4.5
141.09109	3.6
141.12735	19.6
143.08508	5.8
145.10141	19.5
147.08023	5.2
147.11674	37.4
149.09550	8.7
149.12154	3.1
149.13251	31.5
153.09044	7.8
157.10100	10.6
159.11682	20.0
161.09554	9.1
161.12143	2.4
161.13268	32.1
161.18475	2.1
163.11212	12.9
163.14819	10.0
165.09038	3.5
167.10605	8.3
171.11630	7.1
173.09547	2.8
173.13260	16.3
175.11218	10.9
175.14825	23.4
177.12726	5.0
177.16373	6.8
179.10594	2.1
181.12192	15.3
183.11589	2.3
185.13206	3.8
187.03650	39.3
187.14735	6.5
188.03993	30.3
189.04117	14.1
189.12724	4.2
189.16342	9.5
191.14261	4.9
191.17841	3.6
195.13789	5.6
197.13113	4.2
199.14763	4.9
201.16310	8.5
203.17970	11.6
207.13747	3.1
209.15263	5.8
213.16328	5.2
215.14258	2.8
215.17894	6.9
217.15800	5.2
217.19553	10.0
219.17331	3.0
221.15256	3.5
221.18973	3.6
223.14803	2.2
223.16916	6.4
228.85892	2.7
228.88016	2.5
229.19423	8.1
231.17455	5.0
231.20973	2.7
233.18941	4.0
235.16971	11.0
235.20509	5.9
237.18445	4.2
243.21152	2.9
247.16917	2.4
247.20569	14.0
249.18524	15.3
261.22092	4.3
275.23621	2.6
280.79529	2.0
302.78369	2.3
331.26395	2.5
411.32199	2.1
435.36035	8.4
453.37466	22.5
471.33566	75.4
472.19101	2.2
472.33728	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3833
Annotation	Combretanone G
Peak:m/z	Relative Intensity
55.05514	20.2
57.07077	4.6
60.38765	1.5
65.03963	2.3
67.05507	28.7
69.07073	22.9
71.04980	1.4
79.05494	21.0
81.06583	3.3
81.07059	51.4
83.04993	3.8
83.08622	12.8
85.06541	2.9
91.05471	10.0
93.07050	43.7
95.04970	2.4
95.08609	100.0
96.08967	2.6
97.06534	3.9
97.10167	7.6
99.08091	2.1
105.07032	27.6
105.07669	2.1
107.07861	3.1
107.08597	55.4
108.08920	1.8
109.06487	2.3
109.10162	42.3
110.10498	1.9
111.08080	3.5
111.11749	1.6
113.09664	5.3
117.07016	1.7
119.08587	33.8
121.06503	3.4
121.10146	53.1
121.44205	1.4
123.08093	3.4
123.11714	29.7
131.08594	7.2
133.10126	29.0
135.08069	6.5
135.11696	27.9
135.12677	2.2
137.09679	2.5
137.13274	5.3
139.07549	1.7
139.11174	2.5
143.08511	1.6
145.10139	10.3
147.08092	1.4
147.11681	16.8
149.09631	3.3
149.13277	11.9
153.09122	7.1
157.10153	3.6
159.11678	9.2
161.09671	4.2
161.13301	12.3
163.11226	8.5
163.14853	5.1
165.09114	2.2
167.10699	3.8
169.10307	1.8
171.11708	3.4
173.13292	8.0
175.11232	4.6
175.14798	9.5
177.12721	3.6
177.16353	2.0
179.10686	4.3
181.10791	2.1
181.12195	10.8
185.13333	2.4
187.14874	5.2
189.12711	1.5
189.16391	5.5
191.14249	1.8
193.12355	2.6
195.13843	2.7
201.16431	2.6
203.17909	2.4
207.13968	1.6
209.15408	5.3
215.17975	1.7
217.15877	2.5
217.19495	2.1
219.17451	1.5
221.15504	2.8
223.16902	4.3
229.19612	2.0
231.17479	2.0
235.16962	8.2
235.20601	3.2
237.18579	2.3
247.20657	2.8
249.16310	1.6
249.18556	6.2
261.22122	2.3
292.68463	1.8
329.24908	1.7
331.26605	2.4
357.98032	1.5
435.36237	2.8
453.37326	6.7
469.79581	1.5
471.38708	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35491	0.7
54.28413	0.7
55.05509	8.1
57.03435	7.8
59.01352	0.8
59.04997	43.2
61.02937	1.0
69.03429	27.2
70.32159	2.6
73.02899	1.4
73.06558	3.5
81.03440	1.0
83.04986	2.7
85.02903	19.8
87.04465	19.0
97.02884	23.1
98.03181	0.8
101.02363	0.8
101.06018	7.3
103.03971	1.1
109.02901	1.2
111.04391	0.9
115.03922	23.0
115.07567	21.0
127.03908	1.8
129.05472	17.7
133.04958	26.4
143.07024	100.0
144.07385	2.3
145.04964	2.7
150.07590	5.8
161.08081	38.9
162.07509	0.9
180.08702	2.6
217.61674	0.7
259.08252	1.0
260.62122	0.8
265.77222	1.0
275.45865	0.9
291.21506	0.8
295.10114	0.9
312.12775	1.5
472.18088	2.8
472.23129	1.8
473.23666	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01516	1.4
55.05507	4.0
57.03440	9.2
63.45643	1.2
69.03419	4.1
69.37354	2.6
69.37737	8.7
71.04994	62.6
73.02924	2.9
75.04475	4.4
79.52060	1.5
81.03358	1.9
81.07046	1.3
82.26636	1.4
82.37688	1.4
83.04980	12.0
83.08625	8.2
85.02906	100.0
86.03242	1.5
87.04501	1.5
97.02903	10.4
97.80665	1.2
98.23353	2.8
99.04485	1.6
100.11279	2.2
101.09631	3.5
103.03952	1.3
109.02886	2.1
111.04446	7.9
127.03916	5.9
129.05484	42.2
141.12724	3.1
145.04926	10.8
147.06522	18.6
147.10220	3.1
163.06030	5.4
164.09142	2.1
173.07118	10.8
189.34351	1.3
194.63147	1.5
253.57048	1.6
255.08601	2.9
289.67017	1.5
310.17072	2.0
472.22052	6.1
472.35608	3.9
473.23721	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.6
55.05510	11.1
57.03437	0.9
61.02924	2.2
65.12168	0.5
67.05520	0.9
67.45118	0.5
69.03432	3.8
70.06604	1.0
73.02921	1.0
81.03418	1.4
81.07075	0.6
82.06572	2.8
83.04957	0.9
83.08637	4.2
85.02908	23.0
91.03963	1.9
97.02887	5.7
98.09698	1.2
99.04408	1.0
100.07635	0.8
100.11251	12.1
109.02876	1.7
111.04485	1.5
113.29715	0.6
126.09154	0.6
127.03919	4.9
128.07059	1.1
134.82701	0.6
137.06009	0.7
139.08632	0.8
145.04971	11.5
151.07561	0.7
163.06017	4.6
166.15933	0.7
182.15422	5.2
182.59918	0.6
184.02834	1.6
193.10100	0.7
200.10620	0.6
205.52367	0.5
209.16508	2.8
210.14871	4.4
219.13161	0.7
228.13969	2.4
230.13496	0.6
237.14307	4.0
238.15265	0.8
245.65733	1.0
246.14844	2.7
259.15427	0.7
264.13754	1.7
265.12219	1.4
266.10583	0.9
282.14709	0.7
283.13376	1.9
308.12860	1.6
309.11282	0.7
332.21649	0.8
341.22244	1.2
350.22754	1.8
355.47614	0.6
356.16611	1.0
373.19174	0.8
374.17523	1.8
427.29056	0.9
436.29681	0.9
436.80029	1.0
445.30081	3.6
445.80142	1.0
454.30756	4.5
454.80756	2.6
463.31244	10.6
463.81470	4.0
464.31808	1.0
472.31711	100.0
472.81866	49.5
472.88892	0.9
473.32193	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
69.70825	0.4
69.71215	0.7
70.06583	0.7
79.05493	3.0
79.66874	0.3
85.02943	0.3
86.09689	0.3
91.05530	0.4
95.04967	0.8
103.05476	2.3
105.07035	100.0
106.07365	3.9
121.59122	0.3
122.09674	50.6
123.10039	1.4
125.77881	0.3
147.04445	0.5
159.47589	0.3
163.03908	0.6
193.67630	0.3
203.05240	0.4
257.03943	0.3
472.14392	0.6
472.22128	0.9
473.12256	2.2
473.23477	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.7
55.05517	13.5
56.05837	3.4
57.07066	2.9
63.80609	2.7
67.05502	23.4
68.05856	2.6
69.07064	15.5
73.14295	2.9
75.27896	2.4
77.03902	3.3
79.05479	15.6
81.07057	27.0
82.07384	3.4
83.04987	9.2
83.08598	3.5
87.04456	3.8
91.05500	15.3
93.07043	34.5
94.07365	4.2
95.04961	11.9
95.08607	60.6
96.08932	10.0
97.06525	3.6
98.06841	2.8
98.22645	6.2
99.04411	3.3
105.03392	42.1
105.07039	27.6
106.03716	2.7
106.07361	5.5
107.08576	27.5
108.08928	5.0
109.06509	6.7
109.10152	20.7
110.10493	6.9
111.04431	3.0
111.08072	6.1
113.05984	2.7
117.07005	4.1
119.08573	28.2
120.08916	7.0
121.06487	3.8
121.10169	20.7
122.10487	7.4
123.08075	9.8
123.11711	5.2
124.12005	2.9
125.09630	3.0
128.06236	6.2
129.06981	8.0
131.08578	13.4
132.08890	3.2
133.06401	2.7
133.10144	17.9
134.10435	3.7
135.08112	4.4
135.11687	15.2
137.09560	2.9
139.07509	5.5
141.07014	3.9
141.09129	3.5
142.07846	6.8
143.08572	18.5
145.10121	20.9
147.08061	7.1
147.11679	9.7
148.12039	3.0
149.09569	5.5
149.13255	6.1
155.08566	10.0
156.09302	7.3
157.10112	28.7
159.08026	5.3
159.11720	23.7
160.12042	4.0
161.09630	10.0
161.13272	14.2
162.13647	7.1
163.11208	3.1
165.06952	3.0
167.08592	4.7
168.09372	2.8
169.10144	16.7
171.08014	3.0
171.11682	20.9
173.09642	4.2
173.13297	8.8
174.13638	3.1
175.11143	3.5
175.14803	4.4
176.15195	3.8
180.09271	3.3
181.10097	8.3
181.12357	3.0
182.10957	5.2
183.11690	14.3
185.09659	5.9
185.13289	8.2
187.07535	3.2
187.14839	3.5
189.09045	3.8
189.12761	5.1
193.10170	4.9
195.11745	13.2
196.12479	3.8
197.13271	11.9
199.14818	4.6
201.16534	3.4
206.10931	3.4
207.11711	5.7
209.13260	17.5
211.11153	3.1
211.14807	14.5
213.12755	6.6
215.14407	3.1
221.13345	4.8
222.14035	3.0
223.11192	8.0
223.14827	9.4
225.12729	6.3
225.16476	6.2
231.13733	4.7
235.11169	2.8
235.14795	6.4
235.16957	4.3
237.16388	5.4
239.14380	2.8
243.13942	5.6
248.17308	5.2
249.16486	4.8
251.17989	9.6
252.18547	3.9
253.19423	2.9
255.93181	2.8
257.15457	5.8
261.16238	3.2
263.17902	3.5
277.15945	3.1
279.17471	8.1
292.21921	2.9
295.16858	7.1
297.18512	24.3
305.18878	5.5
308.79260	3.4
317.22723	3.5
323.20029	11.8
337.21674	3.2
367.26273	3.6
391.26434	24.0
397.11038	3.6
401.24811	10.7
419.25797	77.4
420.26129	9.2
436.32529	3.9
437.26843	100.0
438.27045	9.1
454.34048	4.1
455.27847	8.6
465.20364	2.8
473.26086	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21172	2.2
70.06593	0.5
84.08142	0.5
85.02917	0.6
117.07015	0.4
120.08103	1.4
123.04392	0.4
131.01906	0.5
136.07558	0.6
140.16838	0.4
141.06914	0.4
147.04333	0.7
149.02097	4.0
155.01834	0.4
161.02905	0.5
164.07071	0.5
166.08662	0.6
169.06520	1.0
173.28683	0.4
177.06567	0.5
182.08127	0.5
185.04259	1.1
197.06027	1.2
203.03642	0.6
203.05391	1.2
215.07024	1.3
221.05133	0.5
231.02852	0.5
243.06564	2.3
259.07947	1.5
271.05975	4.4
281.04578	0.8
299.05554	3.5
300.05466	0.5
311.07266	2.4
347.09479	13.6
403.78616	0.4
473.12631	100.0
474.12976	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01863	0.9
55.05503	2.7
55.88860	0.6
56.94009	0.6
59.79694	0.7
60.36042	0.6
61.07677	0.9
65.03927	2.1
67.05508	9.3
69.03424	2.4
69.06812	4.8
79.05491	5.8
80.59012	0.6
81.07052	6.8
83.04972	2.6
85.72140	0.6
91.05478	11.5
93.00583	0.6
93.07050	5.8
95.04967	3.3
95.08608	6.5
97.02879	0.7
97.06512	0.7
97.10130	0.9
103.05463	1.4
105.07017	7.9
107.04957	1.8
107.08582	4.5
109.02898	0.8
109.06528	1.7
109.10175	5.7
111.04430	1.3
115.05447	2.3
117.07037	4.2
119.05019	0.9
119.08585	10.2
121.02846	0.7
121.06505	2.5
121.10144	3.3
121.10882	0.7
122.07290	1.8
123.08065	0.8
123.11724	4.0
125.05978	0.7
125.09633	0.7
128.06223	6.3
128.65700	0.7
129.06993	7.8
130.07802	0.7
131.08562	7.7
133.06494	11.8
133.10126	3.1
134.06847	0.7
135.08034	1.5
137.05949	2.0
137.09624	11.9
139.07568	1.4
141.06976	6.5
142.07793	6.5
143.08548	11.8
144.09328	1.1
145.06453	2.2
145.10095	4.5
147.08029	4.8
147.11740	1.1
149.02350	9.5
149.03450	1.1
149.09615	2.8
151.07513	1.2
152.06215	0.9
153.06999	3.3
153.09067	0.7
154.07767	3.5
155.08559	9.0
156.09348	11.5
157.06483	2.7
157.10117	7.9
158.07269	1.2
158.10757	0.8
159.08061	7.4
159.11665	1.7
161.09622	2.1
163.07529	0.9
165.07133	5.4
165.09114	87.8
166.07794	3.1
166.09445	2.6
167.08553	5.1
168.09306	1.4
169.06451	3.5
169.10118	13.9
170.07214	1.0
170.10837	1.4
171.08075	4.8
171.11697	14.6
173.09653	2.7
173.13239	1.1
175.07497	3.6
175.11131	1.3
177.09117	1.3
178.07796	2.1
179.08551	10.3
180.09306	4.2
181.06540	1.2
181.10114	5.8
182.07257	3.1
182.10806	1.5
183.08031	3.4
183.11708	3.6
184.08812	2.5
185.05984	1.4
185.09598	5.4
185.13211	1.5
187.07541	1.7
187.11136	1.4
189.09134	2.0
191.08578	1.5
192.09355	3.1
193.05005	2.5
193.10127	8.8
194.10886	9.2
195.08075	1.9
195.11697	6.5
196.08867	2.3
196.12469	2.0
197.09613	10.6
197.13292	2.6
198.10306	1.2
199.07545	6.3
199.11179	7.4
200.11736	0.8
201.05467	1.1
201.09128	2.9
201.10889	0.7
202.07817	0.8
203.06941	5.1
203.08620	1.7
203.10612	1.6
205.08606	1.9
205.10207	1.8
205.12251	2.0
206.10898	3.0
207.08078	3.2
207.11678	8.0
208.08859	1.8
208.12408	2.9
209.09744	4.4
209.13257	13.0
210.10329	0.8
210.13799	1.5
211.11134	4.1
211.14861	1.9
213.09041	1.2
213.12704	1.5
215.10683	1.7
216.09427	0.9
217.10333	1.3
218.10878	1.3
219.11691	2.3
220.08757	1.1
220.12361	1.0
221.09613	2.2
221.13260	3.0
222.10406	6.4
222.14081	1.5
223.11147	6.0
223.14851	2.4
224.11861	1.2
225.09132	1.6
225.12767	1.4
227.10626	1.3
229.10176	1.6
230.10994	1.0
231.11719	1.7
232.08788	0.9
232.12462	1.0
233.09644	1.7
233.13307	2.2
234.10381	1.4
235.11139	3.9
236.11957	3.0
237.08981	2.0
237.12756	16.8
238.13342	2.0
239.10680	3.0
239.14397	1.8
241.12358	1.3
242.10893	1.0
243.11935	1.2
244.12427	1.2
245.09674	1.0
245.13287	2.3
246.10341	0.7
247.11232	2.1
247.14780	1.4
248.11743	0.8
249.12759	3.0
251.10675	2.7
251.14388	1.5
253.12404	1.1
254.10980	0.8
256.12582	1.2
257.13300	2.1
258.14035	1.0
259.11127	1.6
259.14938	1.3
260.11844	1.1
261.12756	2.4
261.16428	1.0
267.11719	1.5
269.13196	1.1
270.14148	1.2
271.11517	0.8
271.14923	2.0
272.15524	0.8
273.12714	1.9
274.13330	0.7
275.14157	1.2
281.13272	1.4
282.14026	1.9
283.11169	1.3
283.14737	1.1
285.12900	0.8
285.16260	1.9
286.13470	0.7
286.16858	1.0
287.14371	1.6
289.12259	1.2
289.19452	0.7
293.13065	0.9
295.14777	1.7
297.12823	1.4
297.16125	1.5
298.13605	1.1
299.14377	1.5
301.12375	1.0
309.12924	1.0
309.16412	1.7
311.14233	1.8
311.17966	1.4
312.15002	1.0
313.15845	2.8
317.15640	1.3
319.14697	2.3
320.15649	1.0
323.14258	2.1
323.17831	1.2
324.18420	1.0
325.15955	1.2
333.16290	3.1
334.17111	1.9
335.17789	1.1
337.15848	2.2
341.15350	1.5
346.13409	1.0
347.14185	1.4
348.18616	1.2
349.19461	1.3
351.17520	0.9
356.17679	0.8
361.15915	3.2
362.16748	1.4
365.15237	1.0
367.20609	3.8
369.18689	1.3
371.16617	0.8
373.19165	0.9
376.18109	2.7
379.16983	3.3
381.22113	1.5
385.21692	3.3
387.19547	0.8
391.20642	5.4
394.19315	1.8
395.20016	2.2
397.17953	1.0
399.23453	1.1
403.10303	1.5
407.16306	1.1
409.21707	5.7
412.20279	1.2
413.21057	2.4
419.19858	1.7
427.22687	100.0
428.23013	9.8
429.11838	2.2
437.21130	6.1
445.23749	19.3
445.84369	0.7
446.23801	1.5
455.15665	1.2
455.22159	33.0
456.22684	3.6
473.14679	3.9
473.23227	68.4
474.23541	6.8
491.24292	51.5
492.24564	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01871	0.8
55.05506	2.4
57.36166	0.6
59.05000	0.7
65.03931	1.3
67.05502	5.9
69.03437	5.2
69.07067	1.5
71.04975	0.7
79.05490	6.4
81.03419	1.3
81.07057	5.6
83.04987	5.1
85.02900	1.0
91.05488	10.5
93.07036	5.9
95.04974	2.8
95.08606	4.2
97.02895	0.8
97.10194	1.1
99.04375	0.6
103.05453	0.8
105.07036	8.2
107.04965	2.3
107.08613	5.7
109.02863	0.7
109.06533	2.6
109.10162	1.9
111.04437	4.1
111.08076	1.9
113.02369	0.9
115.05472	2.0
116.06255	1.1
117.07043	4.1
119.08587	7.8
121.06512	2.8
121.10164	2.6
123.04447	1.1
123.08087	2.8
125.06001	1.3
125.09663	1.0
128.06255	2.4
129.07013	5.0
130.07806	1.6
131.04837	0.8
131.08603	5.6
133.06502	6.1
133.10118	4.1
135.08038	6.8
137.05984	2.2
141.06984	4.5
142.07816	3.8
143.08572	5.8
145.06483	2.7
145.10129	5.1
146.07289	1.0
147.08049	7.2
147.11720	1.2
149.09628	1.8
151.07625	1.7
153.07054	2.6
154.07784	2.8
155.06078	0.8
155.08575	8.1
156.09381	3.4
157.06534	2.5
157.10114	6.4
158.07269	1.7
159.08038	5.3
159.11731	1.8
161.05998	1.0
161.09601	4.2
161.13313	1.1
163.07539	2.0
163.11267	1.0
165.07031	4.6
165.09103	8.4
166.07753	2.1
167.08568	4.5
168.09386	1.6
169.06540	1.1
169.10135	12.6
170.07213	0.7
170.10768	0.9
171.08044	5.1
171.11684	4.0
172.08740	0.9
173.06094	0.8
173.09601	5.1
173.13239	0.8
175.07556	12.5
175.08971	1.1
175.11201	2.0
177.09129	3.5
178.07813	2.0
179.08556	6.8
180.09277	3.2
181.06516	1.4
181.10088	5.5
182.07295	1.3
182.10869	1.8
183.08112	3.1
183.11729	2.5
185.09630	3.4
185.13243	1.6
186.10423	0.8
187.07619	1.9
187.11208	1.3
189.09134	2.5
190.07690	0.8
191.07048	1.0
191.08536	1.5
191.10767	0.7
192.09361	3.9
193.08655	1.1
193.10176	6.0
194.10907	5.6
195.08113	1.9
195.11693	5.0
196.08775	1.5
196.12456	1.9
197.09604	6.2
197.13239	3.4
199.07574	2.8
199.11183	3.5
201.09137	4.4
201.12885	0.7
203.06944	0.9
203.08701	1.5
203.10600	1.7
204.09357	1.3
205.10179	2.7
205.12173	0.7
206.10930	2.9
207.08122	1.2
207.11702	6.5
208.08827	1.9
208.12389	2.4
209.09613	4.5
209.13231	7.8
210.10445	1.4
210.13757	0.9
211.07584	1.5
211.11259	4.2
211.14842	5.2
213.09094	1.3
213.12787	1.6
215.08676	0.8
215.10683	1.0
215.14241	0.8
217.08411	3.1
217.10402	1.5
217.12279	1.0
218.10864	1.6
219.08253	1.2
219.09952	1.1
219.11781	2.9
219.13676	0.9
220.08722	1.1
220.12376	1.5
221.09843	3.2
221.13284	3.1
222.10432	2.8
222.13861	1.4
223.11241	4.6
223.14894	1.3
224.11951	1.4
225.09192	1.1
225.12851	2.5
227.10658	1.2
229.10263	1.3
229.12161	1.1
230.10835	1.5
231.11725	2.7
232.08699	0.8
232.12343	1.2
233.09599	1.5
233.13275	2.1
234.10440	0.9
235.11475	4.5
235.14825	1.7
236.12035	1.6
237.09148	1.0
237.12761	13.9
238.13370	2.0
239.10698	3.3
239.14297	7.7
241.12332	1.2
243.11713	2.1
244.12488	2.2
245.09622	0.9
245.13292	3.0
246.10413	1.0
246.14063	0.8
247.11214	2.6
247.14873	1.5
248.12080	0.7
249.12770	3.4
249.16119	0.7
251.10680	1.2
251.14307	1.5
253.12386	1.6
255.11678	1.0
255.13977	1.3
256.12390	1.1
257.13354	1.2
258.14053	1.2
259.11185	1.5
259.14807	2.2
260.12000	2.2
260.15717	0.8
261.12793	2.7
262.13483	0.8
263.14493	1.4
267.11722	1.1
268.12265	0.9
271.11078	1.1
271.14807	1.6
272.11957	0.9
273.12784	2.9
273.16281	1.4
274.13504	1.0
275.10919	0.8
275.14294	3.0
275.17407	0.6
279.10492	0.8
279.13934	1.9
282.10349	0.9
283.14795	0.8
285.12662	1.3
287.14435	2.2
287.17899	1.7
288.15073	0.8
289.16052	1.1
291.13968	1.7
293.15430	0.8
297.12918	0.9
297.16223	1.2
298.17276	0.8
299.14243	2.2
301.15802	1.6
301.19199	0.9
303.14056	1.3
303.17215	0.9
305.15454	1.4
309.16434	0.9
310.13629	0.8
311.14218	1.6
313.15891	1.4
315.17398	1.7
317.15497	4.4
324.15039	0.7
325.47552	0.8
329.15363	1.1
329.19061	2.4
330.19702	1.1
340.18256	0.8
341.19144	1.0
351.17667	0.8
357.18494	1.0
359.16336	0.8
367.20801	1.2
376.18622	1.0
379.16666	1.2
385.21658	0.9
391.20654	2.4
395.20142	1.7
399.23190	1.3
404.17896	0.8
409.21826	4.4
413.21185	2.8
419.19965	1.1
425.21155	1.0
427.22736	13.3
428.23071	1.9
429.24506	1.1
431.22293	1.5
437.21313	4.0
440.23700	5.5
445.23810	15.2
446.24115	2.2
455.22223	13.7
456.22571	2.1
473.23260	100.0
474.23532	10.2
491.24246	17.4
492.24414	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01871	1.0
55.05510	5.7
59.26623	0.5
61.56881	0.6
65.03912	0.7
67.05515	2.6
69.03451	0.9
69.03767	4.4
69.07076	0.6
79.05493	2.1
81.07050	2.3
83.04982	21.8
84.62634	0.5
91.05475	4.5
93.07050	3.8
95.04963	1.9
95.08621	2.0
105.07042	3.4
105.62124	0.5
107.08572	1.3
109.02868	0.6
109.06529	2.0
111.04442	10.8
111.08103	1.7
115.05507	1.0
117.07043	1.7
119.08575	1.7
121.06517	2.5
121.10139	0.6
128.06235	1.5
129.07004	1.9
130.07854	0.8
131.08531	1.9
133.10124	0.9
135.08092	2.3
137.06000	1.4
139.07578	0.9
141.07028	1.5
142.07753	1.4
143.08566	2.1
145.06517	1.4
145.10138	2.8
147.08017	1.8
149.09598	2.9
152.06218	0.7
153.06998	1.7
154.07777	2.1
155.08545	9.3
156.09363	0.9
157.10150	1.6
158.07222	0.9
159.08009	1.2
159.11650	0.6
161.09648	1.1
165.07028	2.3
165.09084	0.7
166.07727	1.3
167.08505	3.2
169.10136	2.4
171.08122	1.0
171.11670	1.6
172.08902	0.6
173.06146	0.6
173.09622	3.1
178.07779	0.8
179.07222	0.5
179.08511	3.4
180.09308	1.5
181.06538	0.9
181.10118	1.2
182.07413	0.6
182.10925	0.5
183.08113	0.9
183.11752	0.9
185.09671	1.8
187.11098	0.8
190.07695	0.6
191.08588	1.3
192.09415	1.3
193.10081	3.9
194.10887	1.5
195.08080	4.1
195.11714	2.1
196.08676	0.7
197.09570	3.0
201.09183	0.9
202.07860	1.5
203.08594	1.5
203.10695	0.5
204.09373	1.3
205.10115	1.9
206.10973	1.2
207.08194	0.9
207.11755	2.4
208.12468	0.7
209.01546	0.5
209.09579	1.4
209.13199	2.8
210.10406	0.7
211.07498	0.8
211.11087	1.3
213.08984	0.7
213.12834	0.6
215.08585	1.7
215.10638	0.8
216.09299	1.7
217.10132	2.7
218.10962	1.1
219.08054	0.8
219.11627	3.6
220.08868	0.8
220.12358	0.9
221.09634	2.2
221.13284	1.5
222.10350	0.7
223.11157	1.5
223.14821	0.6
225.09235	0.9
225.12799	1.0
228.09435	0.7
229.10114	2.6
230.10895	2.2
231.08090	0.8
231.11748	4.5
232.12401	0.9
233.09668	1.9
233.13275	1.7
234.10286	0.9
235.11243	2.5
236.11977	0.9
237.12790	1.6
239.10612	1.0
241.10104	0.8
242.10883	1.0
243.11729	2.9
244.08794	0.8
244.12509	2.0
245.09631	1.7
245.13293	3.7
246.10411	0.7
246.13982	1.6
247.11197	1.5
247.14836	1.8
249.09009	0.8
249.12785	1.2
251.10619	0.6
251.14447	0.8
253.12286	1.0
254.13029	1.9
255.08287	0.6
255.11609	2.4
255.13875	1.3
256.08832	0.9
256.12476	1.7
257.09561	1.2
257.13281	4.1
258.10501	1.2
258.14011	2.1
259.11154	2.4
259.14828	2.4
260.11978	1.0
260.15506	0.8
261.09262	1.0
261.12787	2.7
261.16263	0.7
262.13510	1.0
263.10956	0.7
263.14355	1.3
267.11697	1.6
269.09549	0.8
269.13278	1.8
270.10477	0.9
270.14038	2.0
271.11581	2.5
271.14771	3.8
272.11957	1.3
272.15549	1.0
273.12772	3.4
273.16299	2.4
274.10104	0.6
274.13449	1.4
274.17163	0.6
275.10657	1.4
275.14392	1.5
275.17987	0.6
276.11417	1.0
277.12357	0.9
277.15619	1.0
279.11478	0.7
283.11157	1.3
283.14615	1.3
284.11905	1.7
284.15289	0.7
285.12775	2.9
285.16415	3.6
286.13516	1.4
286.17105	1.4
287.14328	2.7
287.17957	1.4
288.11716	0.6
288.15036	1.8
289.12195	1.7
289.15784	1.1
289.19446	0.7
290.12961	0.6
290.16647	0.6
291.13745	1.4
295.14755	1.0
296.15573	0.7
297.12680	1.9
297.16245	1.2
298.13452	1.5
299.10840	1.2
299.14304	3.2
299.18024	1.5
300.15021	1.4
300.18558	1.3
301.12274	1.3
301.15872	1.7
302.13113	0.9
302.16696	0.8
303.13763	1.7
303.17273	1.0
304.14664	0.7
305.15546	1.0
309.12711	1.0
310.17175	0.7
311.10828	0.6
311.14209	1.0
311.17892	0.8
312.11633	0.7
312.14960	1.0
313.15717	4.5
314.12994	0.7
314.16577	1.8
315.13943	1.4
315.17285	1.1
316.14526	1.3
317.15353	2.0
317.19125	1.4
319.16989	1.3
321.15155	0.7
323.14291	1.3
325.12198	0.9
325.15634	0.8
326.16486	0.7
327.13748	0.6
327.17416	1.4
328.18134	1.4
329.15359	1.2
331.16971	2.4
332.17535	0.6
339.17426	1.3
341.15411	2.2
345.18604	2.4
355.16821	0.9
356.17938	0.9
357.18661	1.5
359.16367	1.7
363.19455	2.0
371.16248	1.0
380.18378	0.8
385.17953	2.5
395.20392	0.8
399.23181	1.5
403.19107	1.3
409.21643	1.5
413.21732	2.9
417.24268	1.0
427.22699	5.3
429.24454	1.0
431.18130	1.4
437.21402	1.4
445.23755	3.9
455.22141	11.4
456.22571	1.1
473.23212	100.0
474.23474	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2357
Annotation	Tyr Lys Tyr
Peak:m/z	Relative Intensity
83.77341	0.3
84.17765	0.3
89.31565	0.3
91.69635	0.3
163.13329	0.4
200.15717	0.3
203.05302	1.5
229.15154	0.5
249.76486	0.3
289.09045	1.3
293.17239	6.5
293.20593	0.3
311.18192	4.0
311.21164	0.4
369.18784	3.0
370.19174	0.4
473.23642	100.0
474.23990	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2356
Annotation	Tyr Lys Tyr
Peak:m/z	Relative Intensity
51.19885	0.2
52.82894	0.2
54.07663	0.2
56.17889	0.2
60.34772	0.2
60.66902	0.2
71.29627	0.3
71.30021	0.3
72.08157	0.3
73.02895	0.2
85.02931	0.5
86.09708	0.6
91.54607	0.2
93.07040	0.2
97.02918	0.2
111.04470	0.2
125.04610	0.2
137.05942	0.2
203.05258	1.7
203.06982	0.3
254.95522	0.2
293.17200	6.1
293.20166	0.4
299.08871	0.2
311.14786	0.3
311.18234	4.7
311.21594	0.3
341.15540	0.5
369.18823	4.9
386.28284	0.2
402.42191	0.3
444.92426	0.3
473.23770	100.0
474.24237	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33493	0.6
53.03940	1.6
55.01870	2.1
55.05500	2.6
57.03431	2.7
59.60569	0.5
65.03935	1.3
67.05519	3.6
68.01619	0.6
69.07071	7.3
71.04978	1.0
71.30624	1.2
77.03886	0.9
78.04715	3.0
79.05491	9.0
81.03400	0.9
81.07072	3.2
83.08617	1.1
91.05482	4.5
93.03415	0.8
93.07043	2.0
95.04959	2.6
95.08596	2.4
97.06535	37.8
99.08092	4.0
103.05451	1.7
105.03392	2.2
105.07036	5.0
106.04175	2.7
107.04954	7.0
107.08595	2.1
109.06521	1.4
109.10146	1.8
115.05425	1.6
117.07040	3.6
119.04886	0.6
119.08584	3.1
121.06530	4.5
121.10135	1.6
122.03639	0.7
123.04426	10.5
123.08034	1.0
123.11696	0.8
124.05258	2.9
124.57391	0.7
125.05978	0.9
129.06979	1.6
130.07805	1.4
131.04912	2.2
131.08530	2.0
133.06442	2.3
133.10164	1.2
134.03636	1.8
134.07205	0.7
135.08035	3.9
137.05977	9.5
138.03125	1.6
139.03941	0.7
139.07538	1.7
140.04665	0.8
141.06999	0.6
143.08592	3.2
144.05664	0.7
145.06526	3.0
145.10132	9.2
147.04379	1.6
147.08003	1.8
147.11691	1.0
148.05173	2.6
149.05957	2.6
149.09573	1.8
151.03928	2.1
151.07542	2.6
152.04662	5.2
153.05467	20.2
154.06247	1.1
155.07076	0.7
155.08531	1.4
157.06474	0.9
158.07286	1.4
158.24245	0.6
159.08086	1.8
159.11687	0.6
160.08884	0.8
161.05977	3.3
161.09639	2.1
162.06712	1.3
163.07553	14.3
163.11159	1.5
164.04669	1.5
165.05501	3.3
165.06819	0.7
167.07037	100.0
168.07330	3.7
169.10126	0.6
171.07993	1.9
172.08868	0.9
173.05963	1.7
173.09639	5.7
175.07520	4.4
175.11269	2.8
175.12549	0.6
176.08356	5.0
177.05441	1.1
177.09146	4.3
177.12737	3.8
178.06270	0.9
179.06996	1.7
181.08603	3.6
181.09970	0.8
183.07999	0.6
185.09700	0.8
187.11244	1.6
188.08247	1.2
189.09113	3.5
189.72679	0.6
190.06284	1.1
190.09885	2.4
191.07022	2.8
191.10689	3.7
193.08621	1.5
193.12177	0.7
195.10172	1.9
201.09087	1.0
203.10722	3.5
204.11522	0.6
205.08638	8.9
205.12236	23.5
206.09407	3.9
206.12624	0.9
207.10202	3.0
213.09160	0.9
215.10632	1.2
219.10172	1.4
219.13808	2.0
221.11729	9.8
223.13255	4.4
231.10091	1.2
233.11731	11.8
235.13261	9.1
237.14867	24.3
238.15051	1.3
243.13654	1.1
245.11705	0.8
249.11217	1.6
251.10281	1.1
251.12759	19.3
261.14597	1.0
275.16394	7.7
301.17856	1.6
305.17474	1.5
319.19016	10.3
343.15411	0.9
375.18198	1.0
377.19522	2.4
387.17920	0.9
399.18076	0.9
411.21585	1.1
413.19611	1.4
429.22653	14.7
430.22995	1.3
455.24243	3.8
473.26434	15.7
474.26523	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
67.05512	0.4
71.31320	0.5
79.05478	0.4
81.07036	0.3
83.04948	0.3
93.07038	0.4
95.04950	0.3
95.08595	0.7
105.06992	0.3
107.08601	0.3
109.10191	0.3
113.51625	0.3
116.02837	0.5
116.03558	0.4
119.08562	0.4
125.88309	0.3
133.02602	1.0
139.80338	0.3
201.72083	0.3
267.13754	0.5
281.36295	0.3
347.16177	0.5
349.17816	0.6
361.17889	0.4
362.18698	0.3
432.55063	0.3
437.24506	26.8
438.24814	2.7
455.25571	68.1
456.25879	7.2
472.28888	0.3
473.26627	100.0
474.26907	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.8
52.48729	0.7
53.03949	10.5
53.77224	0.8
55.01881	4.6
55.05514	21.3
56.35339	0.8
57.03434	4.2
57.07082	1.0
59.04997	0.9
65.03938	4.4
67.05508	54.7
69.03439	4.5
69.07070	11.3
70.56068	1.8
71.05002	3.1
73.06552	1.4
76.13707	0.8
77.03949	1.1
79.05496	72.9
80.05834	1.5
81.03420	100.0
81.07058	46.2
82.03758	1.5
83.04983	13.6
83.08618	22.3
85.02934	1.6
85.06543	2.7
86.44281	1.0
91.05486	70.3
92.05841	1.8
93.07045	56.7
94.07379	1.3
95.04967	42.7
95.08612	20.7
97.02903	3.2
97.06546	4.1
97.10168	5.0
99.08081	1.4
103.05476	2.5
105.04522	3.3
105.07032	46.9
105.47498	0.9
106.07377	1.3
107.04951	11.7
107.08595	17.0
109.06516	7.7
109.10148	6.5
111.04474	2.5
111.08087	10.7
115.05468	3.7
117.07005	10.8
119.04942	1.0
119.08581	27.8
121.06522	6.6
121.10164	8.2
122.05095	0.9
123.08086	6.4
123.11732	1.4
125.09682	2.3
127.07579	2.5
128.06239	5.0
129.07011	26.0
131.08569	11.9
133.06520	4.5
133.10133	12.5
135.08044	1.9
135.11685	2.1
137.06012	1.0
137.09650	3.2
141.06967	2.1
141.09114	1.0
142.07811	4.0
143.08574	7.3
145.06534	1.8
145.10129	10.5
147.08047	7.2
147.11681	34.7
149.09610	5.6
155.08537	2.0
156.09341	1.3
157.06502	1.2
157.10138	10.2
159.08034	1.6
159.11720	1.6
161.09612	4.5
161.13284	9.9
163.11160	1.1
165.12775	2.1
167.08577	1.5
169.10126	5.1
171.08038	1.5
171.11691	20.0
171.13069	1.3
172.12038	0.9
175.11229	10.1
175.71158	0.9
181.10118	1.4
183.11760	2.4
185.09654	2.0
187.11240	1.0
189.11205	1.4
189.12738	9.2
193.12236	29.4
194.12624	2.2
195.11800	0.9
197.09622	1.5
206.10941	1.1
207.11908	1.5
207.13806	22.4
208.14224	1.7
209.09676	1.2
209.13362	1.9
213.12590	1.0
225.14827	1.9
229.15991	1.3
243.11682	1.0
249.14890	4.2
267.15878	1.5
281.17422	2.3
363.23193	2.3
381.24234	3.2
399.25262	2.3
445.23712	1.3
455.27997	3.5
473.23297	5.2
473.29007	66.4
474.23639	1.2
474.29233	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
53.23384	0.4
55.05512	2.4
57.07067	0.4
57.70633	0.4
58.47285	0.4
59.05000	0.4
62.48924	0.3
67.05506	6.4
69.03425	1.2
69.07065	2.2
79.05486	2.6
81.07060	8.1
83.04989	1.9
83.08615	0.8
85.06532	1.0
91.05494	2.7
93.07044	3.8
95.04979	1.2
95.08611	5.8
97.06496	0.9
97.10185	0.5
105.07024	2.5
107.04976	0.7
107.08588	3.9
109.06518	1.3
109.10150	7.8
111.08076	1.2
111.31895	0.4
117.07027	0.5
119.08580	5.6
121.06473	0.6
121.10120	2.9
122.07265	2.6
123.08025	1.1
123.11700	2.0
125.05977	0.7
125.09611	0.9
128.06209	0.5
129.06995	0.8
131.08560	1.3
133.06430	0.4
133.10110	2.0
135.08043	1.2
135.11665	1.6
137.05998	1.0
137.09616	13.5
137.13239	1.9
139.07535	0.7
139.11288	0.4
143.08585	0.5
145.10101	1.6
147.08025	0.8
147.11687	1.5
149.09636	3.4
149.13223	1.6
151.07530	1.2
153.05627	0.4
153.09161	0.6
155.07143	0.4
155.08522	0.7
155.10628	0.5
157.10112	0.8
159.11736	1.1
161.09642	1.1
161.13287	0.9
163.03847	0.4
163.07498	0.4
163.14812	0.8
165.09119	100.0
165.74309	0.4
166.09406	3.0
167.07054	0.6
167.08521	0.5
169.10100	0.9
171.11739	0.8
173.09569	0.6
175.07617	0.5
175.11166	1.6
177.09085	1.5
179.08577	0.4
179.10672	1.1
181.10251	0.5
183.11760	0.5
187.11176	1.0
189.09171	1.9
189.12764	0.9
190.09924	0.5
191.10637	1.3
193.12196	0.5
195.11765	0.5
197.09520	0.4
197.13197	0.5
201.09109	0.4
201.12839	0.4
201.16360	0.5
203.10637	1.7
205.12233	7.5
206.12624	0.4
207.11841	0.7
209.13297	0.7
215.05275	0.6
217.12282	0.4
217.19501	0.8
231.13765	0.4
233.15462	1.0
237.12662	0.4
273.12552	0.6
321.24261	2.2
409.31415	0.4
413.21478	0.5
429.24918	0.6
437.30771	0.4
455.22168	1.1
455.32068	0.5
466.88589	0.4
473.14307	3.1
473.23141	3.3
473.32159	1.2
474.22589	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3627
Annotation	3alpha-Hydroxy-2-oxofriedelane-20alpha-carboxylic acid
Peak:m/z	Relative Intensity
50.09685	0.3
53.03951	0.4
54.21870	0.2
55.01860	0.3
55.05506	1.8
57.07066	1.1
60.21555	0.3
67.01874	1.0
67.05498	1.9
69.07072	3.8
69.32681	1.8
71.08652	0.5
74.81574	0.3
79.05486	0.9
81.07047	3.2
83.04945	0.4
83.08624	2.0
85.02908	0.7
91.05490	1.5
93.06470	0.4
93.07041	7.1
95.04977	0.6
95.08602	4.2
97.10175	1.1
101.98366	0.3
103.66608	0.3
105.07027	1.0
107.08607	1.3
109.10147	1.5
111.08070	0.5
117.07031	0.5
119.08588	1.3
121.06514	2.6
121.10130	0.9
123.08109	1.3
123.11713	0.7
131.08543	0.4
133.10181	0.5
135.08063	1.1
135.11684	0.5
137.05969	0.6
137.09697	0.3
139.07553	5.5
143.08502	0.3
145.10112	0.6
147.11717	0.5
149.05989	6.2
149.09677	0.3
149.13274	0.5
151.07542	23.1
152.07858	0.6
157.10117	0.4
159.11676	0.4
161.49104	0.3
163.07520	0.5
165.05505	1.4
165.09109	1.2
167.07037	100.0
168.07391	2.8
177.09138	0.5
181.08591	0.5
189.09108	0.8
191.10667	0.8
193.08522	0.5
201.16246	0.3
205.12209	0.5
207.10176	0.5
209.08087	34.4
210.08476	1.2
223.09616	0.3
249.11122	0.5
250.06294	0.8
257.51178	0.3
362.18857	0.7
395.32932	0.4
413.34097	2.0
418.24918	0.6
431.34979	0.7
443.45901	0.3
473.35867	0.8
478.23264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54794	1.6
55.05508	17.5
56.70081	1.8
57.07068	6.4
65.03944	2.1
67.05505	26.1
69.07069	22.8
69.14146	9.4
69.14554	3.7
70.02177	1.7
70.02946	2.2
71.01347	2.3
72.76477	1.9
79.05484	16.5
81.07057	47.1
83.04975	3.5
83.08615	11.6
85.06546	7.4
88.03970	3.0
91.05473	18.0
92.53207	1.8
93.07043	40.0
93.41615	1.8
95.04973	1.8
95.08606	100.0
96.04485	6.3
97.06535	5.5
97.10169	3.1
98.02380	2.0
99.08089	32.6
101.35841	1.7
105.07030	35.4
107.08596	66.2
109.06503	11.0
109.10153	56.2
110.10468	2.8
111.08086	9.1
113.09633	3.5
115.07590	2.6
117.07037	3.9
119.08585	48.6
120.08929	2.2
121.06528	2.1
121.10142	47.3
123.08063	8.6
123.11692	13.3
125.09642	5.6
126.01855	2.6
126.50768	2.0
127.11189	16.0
129.07051	2.6
131.08595	13.6
133.10129	45.5
135.08060	4.2
135.11697	24.2
137.09627	4.1
137.13254	3.4
140.03421	8.1
143.08554	6.5
144.02914	15.4
145.10130	22.7
147.08008	4.5
147.11679	44.8
149.09674	4.0
149.13257	37.8
151.11203	5.1
157.10101	9.1
158.04494	2.7
159.08052	2.9
159.11697	28.5
161.09599	4.8
161.13252	25.0
163.11205	7.8
163.14828	12.5
165.09105	5.2
165.12764	4.5
169.10168	2.5
171.11662	6.5
172.02405	1.9
173.13261	20.9
175.11230	5.0
175.14816	11.8
177.12697	15.7
177.16324	2.3
179.14348	3.5
183.11620	3.0
185.13234	6.2
187.11143	2.1
187.14771	10.3
189.12741	4.6
189.16389	14.7
191.10796	1.9
191.14301	7.6
191.17946	4.9
196.09706	9.4
197.13237	4.0
199.14844	5.3
201.12726	5.0
201.16429	12.1
203.14288	4.3
203.17979	15.4
205.15813	2.6
207.13876	6.2
207.17426	3.5
215.14368	5.6
215.17972	4.4
215.66713	2.5
217.15938	4.8
217.19508	4.6
219.13829	4.9
219.17401	4.8
221.15404	6.4
221.19005	12.8
227.17810	2.5
233.15329	3.8
233.19008	2.5
242.10138	3.3
243.47557	2.4
247.16866	4.4
271.20554	1.9
293.04211	2.0
298.16446	11.2
315.23111	2.9
316.74655	1.8
323.10419	1.9
351.26776	2.2
357.27420	2.0
358.22214	8.0
372.23813	7.2
395.33215	3.5
399.32455	7.3
399.40546	2.1
405.31699	2.5
423.32544	14.0
441.33405	7.7
455.35043	6.9
473.25021	10.4
473.36255	2.9
474.30618	7.5
484.52267	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3627
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
51.65280	5.5
53.36522	4.7
55.05505	17.7
57.07064	11.5
57.80718	5.0
67.05499	24.0
69.07077	20.3
69.40695	7.8
69.41078	29.5
71.04993	17.9
79.05484	11.6
81.07057	39.8
83.08591	9.6
85.06532	7.0
87.92266	4.8
91.05489	18.8
93.07040	53.4
95.08610	69.1
96.08942	7.1
97.10184	6.5
99.08089	11.7
105.07034	40.3
107.08591	72.5
109.06523	19.2
109.10160	51.9
111.08041	7.4
113.09669	5.7
119.08582	90.2
121.06493	9.3
121.10137	73.4
123.08150	7.4
123.11700	40.1
125.09645	5.7
126.73368	4.9
127.11172	29.8
131.08553	14.8
133.00296	5.2
133.10124	91.0
134.10487	9.1
135.08107	9.2
135.11684	100.0
140.03461	6.6
143.08603	8.1
144.02925	7.5
145.10107	34.1
147.11678	46.3
149.09628	13.1
149.13281	25.8
157.10114	13.8
159.11688	71.4
161.13242	56.1
163.11154	6.4
163.14790	11.0
165.12718	5.5
169.10109	5.9
171.11670	9.5
173.13260	32.0
175.14848	17.8
177.12810	28.6
183.11626	6.5
187.14801	16.8
189.12787	9.8
189.16379	26.1
191.14348	10.8
191.17944	10.4
199.14911	9.0
201.16370	52.8
203.14450	6.2
203.17932	65.6
207.13824	10.6
207.17473	8.9
215.14272	12.5
215.18054	17.0
217.15979	6.4
217.19463	31.3
219.13840	15.7
219.17404	7.7
221.15466	11.4
221.18970	10.4
223.14856	7.1
223.16972	6.1
233.15314	7.0
233.19064	7.5
247.16943	8.4
266.17822	6.5
275.99365	5.7
298.16327	9.9
304.16727	6.2
337.25113	7.5
343.26199	5.5
358.22488	6.7
377.81210	5.4
395.33337	6.4
399.32782	15.5
405.31613	12.8
423.32614	26.2
441.33759	11.7
455.35257	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3629
Annotation	HEDERAGENIN
Peak:m/z	Relative Intensity
51.02391	1.2
51.48245	1.1
52.42408	1.4
53.03944	2.8
55.01867	15.8
55.05269	1.9
55.05514	24.7
57.03437	7.0
57.07072	3.5
59.05011	1.5
64.72279	1.1
65.03919	1.4
67.05181	1.6
67.05511	22.3
69.03432	10.5
69.06729	1.6
69.07072	22.7
71.04994	7.4
73.06558	5.0
77.03934	1.4
79.05490	14.7
81.07059	26.8
83.04990	7.4
83.08183	1.3
83.08620	7.8
84.50547	1.0
85.06524	6.9
88.14748	1.1
91.05486	11.4
93.06464	2.1
93.07047	33.5
95.04955	3.5
95.08607	32.4
95.67714	1.2
96.08929	1.7
97.06532	23.9
97.10172	15.6
98.98476	10.7
99.04446	2.4
99.08091	3.2
105.03406	1.7
105.07034	19.7
106.74527	1.4
107.04904	1.7
107.08597	39.7
108.08901	1.6
109.06528	3.7
109.10159	30.7
111.08090	8.2
113.09618	3.1
115.07599	6.1
117.07034	4.2
119.08582	23.9
119.09350	2.3
121.06524	1.9
121.10153	24.2
121.11006	2.2
123.08064	5.0
123.11699	8.3
125.09629	18.9
127.07513	2.5
127.11199	4.8
129.06978	1.6
129.09085	2.4
131.08542	11.3
133.10127	21.5
135.08064	5.1
135.11697	27.5
137.00020	6.8
137.09669	3.3
137.13264	3.2
139.11171	5.3
141.09126	3.0
141.12755	2.1
142.07837	1.6
143.08556	6.3
143.10652	2.0
145.10123	14.7
147.08063	3.5
147.11673	12.6
149.09642	4.8
149.13222	3.1
151.11179	3.2
153.12743	100.0
154.13049	3.9
155.01001	8.4
155.08542	2.0
155.10670	1.9
156.09331	2.9
157.10133	10.9
157.12256	3.6
159.08049	1.5
159.11688	12.2
160.12183	1.7
161.09648	6.3
161.13297	4.6
163.11182	10.5
163.14842	5.0
165.09018	1.4
165.12804	6.9
169.10187	3.4
169.12259	1.6
170.10858	1.8
171.11728	7.1
173.09662	1.8
173.13268	9.5
175.11172	10.8
175.14835	7.0
177.12761	3.0
177.16296	2.5
179.10732	1.4
181.12283	1.9
181.15903	3.1
183.11719	4.1
183.13771	2.6
185.13243	5.4
187.11168	2.8
187.14815	7.5
189.12814	1.6
189.16396	5.0
191.14337	4.1
191.18073	1.6
193.12276	2.0
195.11740	1.9
195.13760	2.6
197.11662	1.6
197.13292	4.8
199.11159	1.8
199.14780	8.0
201.12784	2.1
201.16399	3.8
203.14287	3.0
203.17923	1.6
205.15880	2.5
207.13817	1.8
209.15347	4.5
211.03694	3.5
211.14854	3.2
213.12793	1.7
213.16359	3.1
215.17931	1.7
217.15872	6.0
219.13811	1.4
219.17441	2.3
223.14806	2.9
227.14240	2.9
229.15913	2.5
237.18498	2.9
239.17876	1.5
241.15918	4.0
241.19403	1.4
243.17529	1.7
247.16867	1.5
249.18468	16.9
255.21074	2.4
259.16885	2.9
265.19290	2.4
271.20529	1.3
283.20517	6.5
285.22073	1.6
301.21756	2.7
303.23117	3.2
309.50705	1.2
315.23172	10.7
325.21701	2.2
333.24335	2.9
337.27396	3.8
405.31708	1.8
423.32629	10.8
437.34088	7.7
441.34003	2.0
455.35306	16.3
473.19876	2.8
473.26547	16.9
473.36520	18.1
474.19543	2.0
474.37601	1.5
493.23767	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17031	2.0
53.03941	3.5
55.01876	2.8
55.05503	25.4
57.07081	8.9
59.04983	2.2
65.03934	2.3
65.60011	1.6
67.05507	33.7
68.57726	1.8
69.07066	40.7
71.04986	7.8
76.41750	2.0
79.05489	24.8
81.06578	3.9
81.07055	74.8
83.04968	6.8
83.08614	20.6
83.52385	1.9
85.06530	5.3
90.48775	1.7
91.05460	19.4
93.07040	61.8
95.04976	2.7
95.08604	100.0
97.06526	5.0
97.10181	10.1
99.08109	13.1
105.07030	36.9
107.04955	2.0
107.07855	3.6
107.08587	80.2
109.06493	6.2
109.10152	89.7
110.10480	2.1
111.08097	4.7
111.11724	5.4
113.09656	2.5
117.07021	5.4
119.08577	53.5
120.08931	2.7
120.34806	1.9
121.06471	3.5
121.10137	82.3
122.10497	2.4
123.08076	4.6
123.11700	41.1
125.09600	3.2
127.11200	16.6
129.09061	2.3
131.08556	10.2
133.10126	53.5
134.10457	2.9
135.08069	5.6
135.11687	66.8
135.92731	1.8
136.12056	3.3
137.09593	5.0
137.13240	11.9
141.90982	1.8
143.08553	3.5
143.10667	3.5
145.10114	24.8
147.08191	1.9
147.11684	40.4
149.09567	9.7
149.13243	37.8
150.13753	2.1
151.07550	2.7
151.11205	5.3
151.14809	5.2
153.09103	3.0
157.10121	8.6
159.11681	27.2
161.09613	5.7
161.13254	26.6
163.11220	13.0
163.14806	19.1
165.12799	3.7
167.10696	6.5
169.10120	2.5
171.11716	4.5
173.13268	12.9
175.07564	2.5
175.11148	7.1
175.14813	19.8
177.12735	10.8
177.16376	10.5
179.14281	2.9
181.12193	8.9
183.11743	2.3
185.13225	5.9
187.14818	10.7
189.07509	1.7
189.12796	4.5
189.16399	18.2
191.14346	5.1
191.17963	17.1
193.12251	2.9
193.15871	7.7
195.12163	2.0
195.13766	10.5
195.17419	2.1
199.14864	5.6
201.16414	15.1
203.14165	1.9
203.17938	32.5
205.15868	6.6
205.19432	4.4
207.13705	2.6
207.17349	4.9
209.13541	2.3
209.15353	8.6
213.16489	3.7
215.18002	8.2
217.15953	2.9
217.19496	17.4
219.17384	6.4
221.15369	3.8
221.19066	4.5
223.16887	4.9
227.17926	4.2
229.19540	2.8
231.17401	2.7
231.20979	5.3
233.11815	2.6
233.18979	3.8
235.16943	2.5
235.20570	3.8
237.18498	7.6
247.20450	1.9
249.18517	4.5
251.20001	6.2
263.20032	4.8
265.21582	3.1
273.07547	4.3
277.21521	2.8
288.09857	5.4
313.10681	2.2
341.09576	2.0
345.13251	5.8
347.02548	2.0
355.29968	2.1
363.30267	2.8
367.30090	2.2
375.32672	3.1
387.32465	2.7
405.34967	2.9
423.36490	12.1
441.37509	12.3
455.39340	36.0
456.39096	3.7
473.24109	7.5
473.32181	11.4
473.39725	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62434	2.3
55.05511	19.6
57.07074	5.6
67.05500	31.9
69.07074	23.4
70.07415	2.3
71.04990	2.2
71.08614	1.9
71.30640	2.4
74.27757	1.8
74.98922	2.1
75.04459	2.5
79.05485	21.9
81.07055	59.6
83.05013	2.8
83.08617	17.5
85.06558	3.7
89.97578	1.9
91.05480	18.0
93.07042	45.2
95.05003	3.0
95.08604	100.0
97.06541	5.8
97.10179	8.3
99.08089	20.4
105.07024	25.9
107.08591	66.0
109.06543	4.3
109.10153	67.7
111.08076	5.4
111.11732	3.6
117.07049	2.6
119.08582	36.5
121.10142	54.5
123.08070	3.7
123.11700	22.5
125.09653	5.0
127.11182	11.3
129.09100	3.4
131.05637	2.4
131.08563	8.0
133.10127	39.7
134.10493	2.6
135.08081	4.4
135.11687	28.6
137.09674	2.9
137.13292	8.7
137.82384	2.2
143.10722	2.8
145.10129	17.0
147.11691	28.0
149.09668	8.9
149.13252	32.4
151.11255	3.0
157.10114	4.5
159.11707	14.1
161.09593	2.8
161.13289	14.4
163.11200	8.4
163.14796	13.0
165.12819	2.6
167.10764	2.6
171.11786	3.8
173.13293	6.6
175.11276	2.8
175.14848	10.3
177.12778	3.9
177.16408	8.8
181.12192	3.5
185.77191	2.4
187.14864	6.0
189.16364	11.0
191.17935	7.5
193.15799	4.2
195.13890	7.3
199.14873	4.4
201.16399	7.1
203.17979	11.7
205.15930	3.0
205.19585	4.0
207.17427	3.9
207.32414	2.0
209.15361	4.6
215.17996	6.7
215.83710	2.1
217.15884	2.7
217.19534	4.5
219.17485	4.2
221.19102	4.6
223.17078	3.4
227.17857	3.0
229.19473	2.5
233.19093	3.6
235.16885	2.7
237.18515	5.2
249.18272	2.6
251.20061	5.6
262.93008	2.2
292.24982	1.9
345.27740	2.2
357.47556	2.3
423.36328	11.6
441.37280	12.3
442.37183	2.3
455.38654	7.6
473.32666	2.5
473.40286	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.8
53.03946	1.7
53.13084	1.0
55.01866	1.8
55.05514	17.7
57.07082	5.4
58.17566	0.9
65.03941	1.7
67.05505	25.8
69.03450	1.0
69.07066	31.8
69.19267	2.4
69.19683	5.2
71.04966	1.4
71.08653	1.8
72.04472	0.9
79.05489	17.1
81.07055	48.5
83.04950	1.0
83.08613	15.1
85.06531	2.1
91.05466	10.5
91.81773	1.0
93.07040	38.2
95.04965	2.2
95.08604	100.0
95.13466	1.0
96.08923	2.9
97.06502	1.7
97.10175	6.6
99.08089	19.6
105.04536	1.1
105.07030	16.8
107.08591	51.1
108.08897	1.1
109.06528	1.2
109.10154	41.8
111.08082	1.6
111.11727	4.1
113.09641	13.8
115.01505	1.0
117.07012	2.6
119.08579	26.6
121.06506	1.5
121.10139	48.6
122.10465	2.0
123.08090	2.7
123.10803	1.7
123.11710	34.9
125.09601	2.2
125.13271	2.0
127.11213	3.7
131.08566	4.3
133.06493	1.6
133.10132	20.5
133.34715	1.2
135.08014	5.0
135.11682	22.3
136.95813	1.0
137.09651	1.4
137.13235	8.6
139.07555	1.3
139.11162	3.1
139.24683	1.0
141.09180	1.2
141.12744	2.2
143.08531	2.1
145.10141	5.1
147.08032	2.6
147.11676	14.1
149.09641	4.0
149.13261	17.6
149.14403	0.6
151.11157	1.4
151.14827	4.3
153.09109	5.1
157.10126	1.6
159.11711	5.7
161.09593	3.5
161.13272	9.0
163.11200	7.1
163.14825	8.9
165.09161	2.4
167.10651	7.8
169.45450	1.1
171.11716	2.1
173.13229	2.4
175.11240	4.8
175.14809	9.7
177.08989	1.1
177.12756	3.7
177.16371	4.4
179.10640	3.7
181.12245	11.6
187.14799	2.0
189.12738	1.6
189.16414	4.2
191.17917	1.7
193.08559	1.1
193.12245	2.2
193.15866	2.3
195.13847	4.8
199.14812	1.2
201.16399	2.8
203.18069	2.4
205.19518	1.2
207.13806	2.0
209.15373	4.5
213.16286	1.2
215.17972	1.2
217.15753	1.7
217.19470	1.9
219.17461	1.8
219.20952	1.2
221.15417	2.9
223.16939	4.6
223.20592	1.9
231.17523	1.5
231.21129	1.9
233.15427	1.2
235.16920	9.5
235.20619	1.8
237.18501	3.5
237.22105	5.6
243.75539	1.0
246.01292	1.1
249.18546	9.1
249.22108	8.0
261.18369	1.0
263.23688	2.4
277.25229	1.6
283.09372	0.9
317.24536	1.4
331.26367	5.1
331.29828	1.2
359.29370	1.4
437.37735	3.6
455.38818	5.2
473.34659	1.1
473.40088	14.6
474.40414	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08922	0.3
51.60426	0.3
52.77985	0.3
53.03944	0.8
53.48536	0.3
70.06593	0.6
71.29321	0.6
76.82073	0.3
77.03911	0.4
79.05488	3.7
85.02905	0.7
95.04969	0.7
98.17749	0.3
103.05469	2.8
105.07025	100.0
106.07356	4.1
122.09662	44.2
123.09994	1.6
132.04445	1.4
135.04443	0.6
138.05469	0.7
148.07336	0.3
149.54521	0.3
151.06094	0.7
155.10614	0.3
163.03929	1.0
180.06400	1.6
180.08786	1.6
181.04851	0.4
199.03896	1.0
213.05473	0.6
241.05023	0.4
242.46036	0.3
256.60864	0.3
259.11896	0.4
269.88956	0.5
283.06049	0.5
302.12469	0.7
317.08554	0.6
345.13034	5.6
429.56458	0.4
474.15237	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
68.72549	0.5
69.03420	0.9
71.28760	0.8
73.02911	0.6
74.80981	0.5
79.05487	5.4
85.02912	1.3
97.02881	0.8
98.97562	0.7
103.05443	2.4
105.07025	100.0
106.07360	6.2
107.20654	0.6
110.73570	0.6
111.05565	4.0
111.42387	0.5
117.09138	2.8
120.04474	2.4
122.09660	44.0
123.05512	0.8
123.10016	2.8
126.06617	2.2
127.03902	0.9
132.04445	25.2
133.04893	0.8
134.06001	4.9
137.04700	2.2
140.08194	0.7
147.04437	0.7
151.06134	9.8
163.03969	0.8
180.06377	1.1
182.12820	0.7
194.06723	5.0
195.07590	1.0
199.03983	2.1
202.09677	1.5
208.08342	0.6
211.83446	0.6
216.11208	0.6
230.09299	1.3
242.09210	3.9
257.10355	4.8
259.11877	10.7
260.12299	0.6
283.06131	0.6
284.11517	4.0
302.12436	16.2
303.12759	1.1
317.08365	0.8
327.11975	3.3
345.13031	97.1
346.13434	4.9
432.51135	0.6
433.98825	0.6
442.79794	0.6
456.16122	0.8
474.11899	0.7
474.17270	7.7
475.17545	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	7.6
69.03428	8.6
69.22988	33.1
79.05495	19.6
81.07048	5.9
85.02885	12.8
91.05482	18.6
93.07019	13.4
95.04964	9.8
95.08598	6.3
96.19701	4.0
97.02879	9.6
97.06546	4.6
98.22626	9.4
105.07037	100.0
107.08604	25.6
110.39139	4.2
117.07034	5.0
117.50719	4.9
121.10107	15.0
123.08039	8.6
127.07543	19.1
128.06221	6.8
129.06996	7.9
131.04977	5.0
131.08595	5.9
133.06468	10.4
137.05974	8.7
143.08586	16.1
145.10141	30.7
149.05977	6.2
151.07530	20.4
156.09348	8.7
165.09138	10.2
171.08063	5.5
171.11676	18.8
199.11179	90.4
200.04843	4.7
208.09744	5.4
217.12158	10.6
227.10687	16.0
231.13817	7.0
249.14728	6.6
259.13358	23.0
277.14362	41.1
474.08878	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.9
55.56355	1.8
57.03450	2.6
61.02926	2.2
69.03431	12.9
69.80643	5.5
71.05002	4.2
73.02913	4.5
81.03407	13.6
85.02906	64.5
86.03242	2.1
93.99187	1.4
97.02899	35.1
99.04458	45.0
103.03942	79.2
104.04287	1.8
109.02881	17.6
109.06538	1.7
115.03977	2.1
119.08600	2.1
127.03916	100.0
128.04300	2.6
139.59164	1.4
145.04961	62.0
147.08084	2.7
151.03908	1.6
163.06013	29.2
165.09119	4.6
169.04939	1.7
175.07597	3.1
187.06020	5.7
187.11238	2.1
199.07446	1.5
205.07103	2.6
213.12863	1.8
217.12224	7.6
241.12265	4.0
247.08212	3.2
259.13245	8.4
265.24603	1.5
265.81000	1.9
271.08215	7.2
289.09207	5.8
320.38614	1.5
336.52972	1.6
339.18698	1.7
365.39166	1.6
474.24203	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
55.01872	1.0
55.05509	11.5
57.03436	7.8
57.07061	1.6
62.62688	0.7
65.03968	1.4
67.05505	21.1
69.07071	9.0
70.56940	1.0
70.57270	1.1
79.05493	29.5
80.05849	1.2
81.03417	3.3
81.07056	21.3
83.04983	2.1
83.08609	4.4
85.06547	1.1
91.04895	0.9
91.04993	0.4
91.05478	24.1
93.07044	28.6
94.07384	1.8
95.04979	4.3
95.08604	12.1
97.06542	1.9
97.10169	1.5
103.05489	1.5
105.04506	1.6
105.07032	26.1
105.82433	0.7
106.07381	1.2
107.04990	1.3
107.08594	13.8
109.06506	1.2
109.10148	5.4
111.08109	0.9
115.05506	1.5
117.07020	8.2
119.07772	1.4
119.08585	15.1
121.10162	9.9
122.53040	0.8
123.08092	1.6
123.11734	1.3
128.06256	0.9
129.05505	2.0
129.07021	4.5
131.08566	8.1
132.08870	1.0
133.06471	0.8
133.10132	10.9
134.80325	0.8
135.08076	0.7
135.11687	5.1
141.06966	0.9
143.08554	3.4
145.06451	0.8
145.10126	7.5
147.08124	1.1
147.11664	8.8
149.09644	1.4
149.13284	2.7
154.07784	0.8
155.08630	1.9
157.10094	3.8
159.08090	0.8
159.11649	4.9
161.13257	3.7
169.10141	2.4
171.08064	1.8
171.11653	5.0
173.09596	1.4
173.13292	2.7
175.11188	1.3
175.14827	2.4
183.11702	1.0
185.09595	0.9
185.13272	2.5
187.11215	1.1
193.12225	1.1
195.11685	1.0
197.13292	2.7
199.14772	1.4
207.11703	2.2
211.11084	0.8
215.10748	1.2
221.13071	0.9
223.11354	1.2
225.12836	1.5
229.95988	0.8
237.12784	1.3
241.19524	3.5
247.14937	0.9
259.20624	4.5
277.21680	1.5
285.16287	0.9
302.24692	1.8
302.69125	0.8
309.13083	0.9
313.15637	0.9
315.23108	2.7
333.24234	100.0
334.24451	6.6
369.22299	1.0
381.00943	0.8
383.22235	0.9
387.23123	2.3
397.22067	0.9
411.22958	1.6
415.17896	1.0
415.23260	4.2
429.24170	4.9
439.22662	1.5
457.23758	5.3
474.23108	1.0
474.29245	2.3
474.39410	1.3
475.24768	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15847	2.3
55.05508	4.5
57.06866	2.6
57.07083	25.8
67.05504	5.5
69.07105	3.3
70.02953	22.4
70.46500	4.7
70.46871	5.0
71.01015	2.9
71.01339	13.4
71.88996	2.7
74.02448	5.3
77.78109	2.4
81.07070	6.2
84.92094	2.3
88.04028	12.6
89.02400	4.3
91.05489	3.2
95.08605	7.1
96.00860	20.8
96.04486	47.7
98.02417	17.0
99.00793	13.0
100.03976	4.0
105.07019	5.6
107.08598	10.4
109.10178	4.9
114.05495	3.0
115.65629	2.9
116.03499	5.2
119.08566	4.3
121.10103	4.9
122.02377	14.6
126.01872	26.5
131.08569	3.0
133.10182	5.3
135.11732	4.8
140.03430	65.8
142.04977	4.1
144.01759	4.8
144.02916	100.0
144.10219	8.7
145.10123	3.6
147.11674	4.2
148.12091	3.0
154.08601	3.4
158.04492	11.2
167.73920	2.5
168.03000	6.4
172.02435	16.9
181.85617	2.7
186.03987	9.1
196.09689	70.2
200.09265	13.3
214.10803	5.5
215.14375	2.7
224.09131	2.8
228.08661	5.9
242.10266	18.4
256.15414	3.9
263.49466	3.2
270.17099	7.7
298.16479	95.7
299.16852	7.6
302.15948	4.6
358.22226	56.9
359.22794	3.6
372.23801	83.3
425.45697	3.4
474.30576	52.4
474.36697	4.5
475.31018	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89640	9.8
55.05506	31.1
61.49195	9.5
67.05503	62.1
69.07056	43.5
70.12366	9.9
72.78637	9.7
79.05484	39.5
81.07060	85.8
83.04960	15.5
83.08618	15.7
84.77689	10.7
87.60791	9.2
91.05484	47.3
93.07058	71.5
95.08607	85.7
97.04186	13.5
98.98476	12.7
105.07028	86.0
107.08604	100.0
107.86803	11.6
109.10144	55.1
117.07046	12.7
118.54945	10.1
119.08582	98.1
121.10148	46.4
123.11719	20.5
127.86586	10.7
130.30643	12.1
131.08549	36.6
133.10130	73.9
135.11705	38.8
136.99991	11.9
137.13246	12.3
143.08536	10.8
145.10097	49.1
147.11664	54.9
149.09528	10.6
149.13252	13.7
155.00975	12.9
157.10094	17.8
159.11711	43.4
163.11162	18.5
173.13277	26.9
175.14777	19.9
183.11734	10.9
187.14864	30.9
189.16386	32.7
199.14810	13.5
201.16423	15.0
213.16306	13.4
359.18716	10.4
418.55917	10.8
421.34720	56.4
438.34570	11.6
475.27628	12.3
475.34000	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33898	6.7
55.05507	24.2
57.07083	13.0
62.35058	6.6
67.05505	50.2
69.07063	45.6
69.37448	54.1
76.35496	7.4
79.05502	18.1
80.40804	6.2
81.07060	88.8
83.04982	15.3
83.08617	27.0
85.06549	28.8
91.05486	28.9
91.87226	6.8
93.07047	73.5
95.08608	90.4
97.10204	14.5
105.03421	9.1
105.07014	52.7
107.08603	79.9
109.10164	100.0
119.08598	61.8
121.10172	49.4
123.08096	11.1
123.11723	34.9
131.08575	22.3
133.10114	45.7
135.11691	40.8
145.10129	25.7
147.11667	33.3
149.09625	10.2
149.13280	30.1
151.11188	8.6
151.78961	10.0
156.97557	8.6
157.10136	12.8
159.11668	19.5
161.13268	26.0
163.11185	9.4
163.14836	37.4
164.79765	7.4
173.13281	26.7
175.14841	29.1
177.12794	23.1
177.16418	8.0
177.93172	7.1
183.11847	7.8
187.14838	13.1
189.16418	12.1
191.14374	28.4
201.16287	8.5
255.21181	9.2
273.22131	10.1
299.23715	10.7
355.30014	14.4
421.34787	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97633	11.3
55.05502	37.6
57.07065	18.8
67.05495	50.2
69.06686	9.5
69.07057	43.5
71.30885	11.2
79.05478	29.2
80.63678	9.6
81.07067	75.9
83.04962	30.9
83.08613	21.4
91.05489	23.5
93.07044	63.4
95.08611	81.5
99.69324	12.7
101.53272	11.6
105.07020	65.4
107.08607	83.8
109.06517	11.2
109.10152	63.9
119.08562	60.9
121.06537	15.9
121.10148	30.8
123.07970	12.1
123.11697	18.0
127.07501	13.3
131.08548	26.9
133.10143	38.1
135.11684	20.4
143.08565	10.0
145.10106	17.5
147.11653	35.5
149.13226	18.2
155.08543	22.6
159.11638	23.4
161.09666	13.7
161.13185	12.9
163.14871	13.9
169.10104	14.1
171.11673	21.5
173.13278	22.2
187.14742	16.1
205.26338	11.8
207.11655	13.8
211.14790	17.6
221.15424	14.3
223.14890	16.8
249.18456	14.1
251.04619	15.2
257.12488	11.3
261.16257	14.7
367.11252	13.5
387.20984	13.2
410.07693	12.7
415.26315	100.0
439.35638	18.5
474.33658	17.3
475.28815	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07088	16.5
67.05512	24.3
69.07055	15.3
69.11271	100.0
69.11680	25.8
81.07042	48.8
89.21021	13.8
90.30858	13.6
91.05517	17.4
93.07031	26.7
95.08633	33.8
98.22641	34.5
100.73148	16.8
105.07027	32.4
107.08602	32.1
109.10140	41.7
119.08575	50.2
121.10177	20.0
131.08449	19.7
147.11691	20.6
151.51894	22.0
159.11716	19.5
191.18039	13.4
439.35980	16.8
452.12012	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	12.0
57.03432	8.5
69.03437	6.7
70.30824	3.0
70.31131	5.4
73.02894	3.0
80.58411	2.8
81.03425	8.2
83.04977	3.8
85.02901	27.3
92.86382	2.6
93.03415	5.9
95.04975	10.7
97.02892	8.2
103.03950	3.8
105.07038	3.4
107.04974	5.2
109.02868	8.5
111.04433	4.4
115.05452	3.3
121.02855	19.8
123.04436	12.6
123.08064	20.0
129.06978	6.5
131.04921	5.5
133.02908	3.7
135.04465	5.0
139.03897	9.4
141.06964	3.2
144.08067	4.6
145.06551	5.3
146.04578	2.7
147.04410	8.6
151.03943	10.1
156.09355	4.9
157.06496	5.3
159.04416	8.6
161.06050	5.4
163.03906	7.6
167.03468	5.4
169.06480	6.0
171.04413	9.6
171.11697	7.0
173.06047	5.0
175.03943	30.3
177.05457	16.3
181.05000	21.4
181.06364	4.1
185.05992	9.5
187.03894	18.2
189.05498	12.3
191.03461	3.2
191.07005	5.8
193.04944	41.2
197.05975	5.4
199.03937	9.9
199.11179	20.6
201.01851	5.3
201.05505	21.6
203.03407	6.2
203.07056	7.0
205.04945	49.4
205.06631	4.8
207.06442	3.7
211.03912	5.2
211.05959	4.8
213.05424	13.4
215.03320	3.8
215.06900	6.0
215.10626	5.2
217.04971	30.8
217.12218	15.4
219.02924	11.7
219.06522	25.8
221.04396	17.9
221.39265	3.9
223.05966	38.7
223.07745	3.7
225.05495	10.4
226.58789	2.8
227.07007	6.9
229.04892	19.9
231.06509	25.5
233.04393	6.9
235.06027	16.9
239.06975	6.2
241.04927	18.1
243.06523	18.3
245.04344	4.6
245.08119	4.8
247.06015	86.0
248.06474	4.0
251.07245	5.0
253.04987	14.6
255.06557	8.4
257.04385	4.2
257.08130	4.0
259.03241	5.1
259.06021	100.0
260.06476	4.5
261.08551	3.5
261.11188	22.4
265.04883	6.0
267.06549	10.0
269.08099	4.5
271.06027	40.6
272.06396	3.3
273.07727	14.4
277.07126	36.8
279.06491	9.3
279.12488	4.1
281.07986	4.1
283.05988	20.6
285.07614	15.8
287.02042	3.1
287.05527	8.0
289.07053	87.8
290.07358	4.7
297.07581	10.3
301.07028	54.4
307.08258	26.1
309.07590	5.3
313.06876	59.7
314.07504	4.4
315.08606	5.0
319.08234	19.6
325.06494	15.5
325.09116	62.3
327.08606	3.6
331.08102	7.0
337.09702	18.3
339.08774	4.0
343.07983	46.9
344.08499	3.4
355.07581	25.9
361.09180	29.0
367.08255	13.7
373.09167	43.1
379.10220	12.5
385.09042	18.9
391.10211	44.6
403.10074	26.0
409.11142	4.2
421.11230	24.3
431.18991	4.4
439.12210	14.4
457.13077	6.0
475.11920	12.8
475.17709	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.6
51.02382	1.9
53.03948	6.9
55.01870	0.6
55.05492	0.2
56.26976	0.2
59.05007	0.3
64.44965	0.1
69.07063	0.3
69.81369	0.8
72.62011	0.2
74.94790	0.2
75.04475	0.9
77.03921	1.8
81.03407	0.7
84.32735	0.2
84.82146	0.2
95.04970	7.9
96.05332	0.2
98.22728	0.3
105.03391	100.0
105.04530	3.9
106.03710	2.2
119.08599	0.2
129.07104	0.2
138.42581	0.2
143.47235	0.2
160.52708	0.2
173.09576	0.2
179.08614	0.3
192.09338	0.3
194.46405	0.2
195.08017	0.4
207.08176	0.2
218.07146	0.2
220.08798	0.2
221.09587	0.6
223.07568	0.3
225.05551	0.2
225.09241	0.2
231.08205	0.2
236.04776	0.2
237.09196	0.5
238.06230	0.2
239.07126	0.4
249.05536	0.3
249.09081	0.5
250.06303	0.3
251.07127	0.2
252.07838	0.3
253.08617	0.4
253.12251	0.2
261.09119	0.2
263.07117	0.8
263.10638	0.5
264.08008	0.3
265.05032	0.6
265.08441	0.9
266.05832	1.8
267.06357	0.3
267.10226	0.2
267.13968	0.2
275.07074	0.2
276.07776	0.2
277.08533	0.5
278.09473	0.4
279.06580	0.5
279.10226	1.1
280.07312	0.4
281.04910	0.3
281.08084	1.4
281.11707	0.7
282.05527	0.3
282.08871	0.5
283.09659	0.2
289.08456	0.3
290.09512	0.2
291.06702	0.3
291.10104	0.5
292.07239	0.2
293.08032	0.7
293.11319	0.2
294.08914	0.3
295.06216	0.4
295.09656	1.0
295.13049	0.4
297.07520	0.7
301.07043	0.2
305.08005	0.3
306.08875	1.3
307.09653	0.9
308.10254	0.4
309.07535	0.3
309.11047	0.3
310.08383	0.2
311.09143	0.6
311.12518	0.3
313.10602	1.2
321.11142	2.8
322.11740	0.5
323.09088	0.6
323.12802	1.2
325.07089	0.5
325.10721	0.4
329.06586	0.2
338.11606	0.3
339.12180	0.8
353.13800	3.6
354.14481	0.7
369.13324	3.4
370.13766	0.2
405.09650	0.3
406.10349	0.5
415.15067	0.2
419.11288	0.6
429.24063	0.2
443.14713	0.3
475.17719	2.1
475.24152	0.3
475.28647	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.5
51.02380	1.8
53.03950	7.3
55.01870	0.5
60.03584	0.2
67.05513	0.2
69.07051	0.2
75.04479	0.7
77.03587	0.2
77.03939	1.9
81.03437	1.0
87.08295	0.2
91.05476	0.3
95.04974	8.3
98.22987	1.2
105.03394	100.0
105.04536	4.5
106.03751	1.8
115.02443	0.2
123.11805	0.2
147.04382	0.3
150.19276	0.2
162.00040	0.2
163.67722	0.2
167.08527	0.2
168.04836	0.2
173.09662	0.2
193.10133	0.2
195.08147	0.2
197.06053	0.2
207.08131	0.2
221.09514	0.4
223.07544	0.3
235.07584	0.3
237.05537	0.4
237.08887	0.2
238.06404	0.5
239.07051	0.5
248.08319	0.3
249.09061	0.5
250.06410	0.4
251.07184	0.3
252.07707	0.2
253.08611	0.4
261.09222	0.3
262.09872	0.3
263.07053	0.6
263.10544	0.3
264.07916	0.4
265.04984	0.9
265.08609	0.8
266.05734	1.4
267.10181	0.3
276.07819	0.3
277.08554	0.5
278.09399	0.4
279.06625	0.5
279.10168	0.9
280.07257	0.4
281.08084	1.1
281.11639	0.5
282.05203	0.3
282.08859	0.3
283.09564	0.4
291.06516	0.6
291.10217	0.6
292.07217	0.3
292.10684	0.3
293.08118	0.6
293.11581	0.4
294.08914	0.4
295.06335	0.3
295.09720	0.8
295.13004	0.3
297.07553	0.7
301.07202	0.3
305.08441	0.2
306.08917	0.9
307.09631	0.7
308.10272	0.4
310.08429	0.3
311.09030	0.5
311.12753	0.5
313.10779	1.0
315.34119	0.3
321.11255	2.6
322.11884	0.6
323.12747	0.6
324.09979	0.3
325.07053	0.8
325.10565	0.3
329.06412	0.3
338.11722	0.3
339.12253	0.9
353.13849	3.6
354.14493	0.8
369.13333	3.8
370.13635	0.4
380.35800	0.2
406.10431	0.8
419.11295	0.5
443.15015	0.3
445.16754	0.3
475.17743	1.7
475.24176	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.7
55.01876	3.0
56.30294	0.5
57.03434	5.3
61.02924	10.2
69.03429	18.6
69.66413	3.2
71.04997	1.7
72.91012	0.5
73.02912	4.2
79.05508	0.6
81.02986	0.6
81.03419	6.9
85.02904	100.0
86.03235	1.8
87.04458	1.9
91.03951	7.4
97.02889	26.8
99.04459	4.1
107.04937	2.6
109.02876	8.3
115.03951	1.2
127.02940	0.7
127.03908	25.6
145.04956	54.9
146.05341	1.2
158.06110	1.2
163.06018	20.2
163.11176	0.9
180.08641	0.6
251.09203	0.8
264.82697	0.5
278.10199	0.5
289.08942	0.6
296.11276	2.3
325.11392	1.0
371.14984	0.6
475.17590	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1939
Annotation	5alpha,6beta,8alpha-Trihydroxy-28-norisotoonafolin
Peak:m/z	Relative Intensity
53.03735	0.3
63.47525	0.3
69.56665	1.2
71.81600	0.3
81.23613	0.3
85.02897	0.8
86.09724	0.3
89.06031	1.3
91.05507	0.3
96.29533	0.3
100.61002	0.3
100.89495	0.3
116.09961	0.3
127.70387	0.3
133.08580	0.4
135.42255	0.3
137.05986	1.7
151.07579	0.7
161.05988	0.6
163.07552	0.5
175.03658	5.2
189.05234	0.3
204.07513	2.0
217.08423	0.6
219.06276	1.1
263.08902	5.5
277.10471	4.2
278.10760	0.3
283.35068	0.3
293.09778	0.5
297.11105	0.4
327.12524	0.4
427.17477	0.4
475.19385	100.0
476.19742	9.5
476.26459	0.6
485.39331	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2327
Annotation	Bryophyllin C
Peak:m/z	Relative Intensity
53.03941	3.7
55.01873	3.0
55.05505	5.4
67.05505	17.8
69.03429	99.9
69.07053	3.8
69.36217	3.4
69.36642	6.6
69.62791	1.3
71.01363	1.7
71.04962	1.5
74.13425	1.7
79.05497	14.3
80.18115	1.6
81.03413	5.6
81.07048	20.0
83.04983	3.5
87.04445	7.2
91.05482	18.8
93.07034	15.3
95.04965	7.7
95.08604	44.6
97.06555	3.6
103.05440	2.8
105.07023	20.3
107.04977	5.3
107.08592	17.7
109.02927	1.7
109.06516	16.5
109.10194	1.8
111.04453	2.0
111.08102	8.6
115.03931	6.0
115.05455	3.8
117.07034	8.8
119.04965	2.3
119.08575	12.4
121.06491	8.7
121.10124	7.0
123.04410	2.4
123.08079	17.2
125.09615	7.1
127.62692	1.7
128.06229	5.7
129.07011	11.8
131.04958	2.7
131.08560	14.2
133.06485	11.9
133.10129	5.9
135.04341	1.5
135.08054	15.0
135.11676	2.5
137.05951	12.6
139.07542	100.0
140.07892	1.9
141.06995	6.5
141.09097	1.9
142.07809	2.7
143.08571	15.7
145.06488	7.1
145.10100	11.4
147.08054	11.3
147.11716	2.5
149.05962	4.7
149.09615	11.8
151.07550	13.2
153.07060	2.0
154.07703	2.1
155.08562	9.1
156.09262	2.5
157.06520	4.9
157.10100	7.2
158.07245	2.1
159.08037	8.1
159.11716	4.8
161.05978	13.7
161.09605	13.0
163.07568	3.7
163.11220	3.5
165.07014	2.6
165.09105	9.1
167.08607	4.5
167.10612	2.3
168.09358	2.0
169.10085	8.4
171.08041	12.0
171.11748	5.1
172.81630	1.4
173.06053	2.8
173.09639	9.1
175.07585	6.7
175.11166	2.0
177.09135	5.8
179.08568	6.4
180.09392	2.1
181.10101	6.4
182.07263	1.7
183.08020	2.9
183.11728	4.9
185.06093	2.4
185.09608	6.6
187.07535	2.7
187.11195	4.3
189.09117	3.8
189.12608	1.9
191.08696	1.6
191.10605	2.0
192.09384	2.9
193.08528	4.1
193.10187	3.7
195.08092	4.3
195.10152	5.7
195.11711	7.1
196.08887	2.5
197.09666	4.9
197.13315	3.0
198.10309	1.8
199.07564	2.7
199.11156	5.2
201.09111	4.3
201.12767	1.8
203.10658	2.7
204.09149	1.8
205.12184	2.0
206.11012	2.5
207.11745	3.2
209.09642	4.7
209.13252	4.6
211.11235	4.8
213.09067	4.6
215.10637	4.8
217.10216	1.8
217.12225	3.1
219.11800	3.1
220.12460	2.1
221.09671	2.7
221.13310	3.0
222.10413	1.9
223.07590	2.3
223.11211	4.6
225.09253	2.5
225.12729	6.8
227.10634	4.5
233.09534	2.9
233.11501	2.6
233.13445	2.7
235.11150	3.4
235.14845	4.0
237.09146	2.2
237.12756	6.6
239.14377	3.6
241.12280	6.1
245.11722	5.4
247.11230	2.5
247.14708	2.1
249.12962	2.6
249.16626	1.8
251.10533	2.0
253.12366	2.4
253.15825	2.2
255.13922	2.0
258.13876	2.2
259.10992	2.1
261.12970	1.9
263.12659	5.2
263.14819	2.1
265.12170	2.4
267.13907	2.6
272.11783	1.8
273.11011	2.0
275.14508	2.3
277.15991	2.0
281.15359	4.9
283.13251	2.9
291.11899	8.7
301.15732	2.1
304.68454	1.6
305.53232	1.5
307.16891	2.2
309.14716	8.0
319.17038	2.2
327.16153	3.6
329.18964	3.7
347.20248	3.3
357.18588	3.4
361.17871	2.1
365.21307	3.1
367.18835	2.1
375.19553	5.5
379.19058	2.1
393.20517	10.0
403.18768	2.5
411.22150	3.5
413.24475	1.6
421.20154	13.2
422.20361	3.1
429.23026	9.8
439.21146	39.1
440.21405	3.2
447.25269	4.1
457.22202	54.7
458.22339	2.9
475.23322	82.2
476.23795	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.3
55.01865	1.5
65.03942	1.5
67.05493	4.3
69.03416	2.2
69.78365	1.7
69.78764	3.1
78.42962	0.9
79.05500	3.9
81.07047	4.1
91.05484	11.6
93.07045	4.2
95.04973	2.1
95.08593	2.5
97.06516	1.0
98.23332	1.5
105.07035	11.3
107.08606	6.2
108.70535	0.8
109.06534	1.8
111.04439	0.9
115.05466	2.6
116.06258	1.3
117.07028	4.0
119.04981	1.3
119.08591	10.9
121.06519	2.6
121.10138	1.9
123.08076	2.5
123.35671	0.9
128.06229	2.6
129.06979	3.9
130.07884	1.0
131.01828	0.9
131.08595	7.8
133.06480	8.7
133.10141	4.6
135.08058	4.8
141.06976	6.3
142.07802	5.3
143.08571	7.4
145.06491	2.1
145.10150	3.6
147.08052	19.3
152.06264	1.5
153.07013	3.7
154.07777	3.8
155.08551	8.1
156.09363	5.1
157.06531	1.8
157.10135	10.0
159.08043	6.3
159.11781	1.8
161.09631	3.2
163.07622	1.0
165.06993	4.7
165.09047	5.9
166.07822	2.5
167.08585	6.8
168.09270	1.1
169.06531	1.1
169.10135	12.3
170.10767	1.2
171.08023	3.5
171.11696	7.2
173.09657	3.1
175.07512	6.3
177.09123	2.7
178.07854	2.7
179.08556	7.6
180.09338	4.5
181.06511	1.7
181.10112	8.0
182.07237	2.0
182.10928	1.6
183.08063	2.1
183.11658	3.1
184.08813	1.3
184.22975	1.0
185.09616	3.2
187.07547	1.3
189.09050	1.4
191.08563	2.8
191.10567	1.1
192.09349	4.2
193.08623	1.8
193.10168	9.3
194.10844	4.7
195.08110	3.1
195.11734	11.2
196.08838	2.3
196.12476	2.9
197.09621	5.1
197.13307	2.8
199.11206	4.4
201.09108	2.9
203.08670	1.2
205.10167	2.9
206.10892	3.2
207.11720	7.9
208.08748	1.1
208.12462	2.9
209.09642	2.7
209.13257	10.7
210.10515	1.3
210.13991	1.7
211.11258	3.7
211.14778	10.3
212.15430	1.0
213.12781	1.6
217.10173	1.8
218.11012	1.9
219.11676	3.2
220.12473	1.2
221.09654	3.7
221.13280	3.7
222.10326	1.8
223.11153	5.1
223.14832	3.9
225.12801	1.9
227.10600	1.0
229.10168	1.5
231.11708	3.6
232.12512	1.4
233.09692	1.6
233.13182	2.1
235.11279	3.4
235.14726	2.4
237.12981	5.6
237.16399	4.9
238.13525	3.5
239.10725	6.6
239.14267	7.6
244.12436	1.1
245.13359	2.2
247.11156	1.6
247.14853	3.6
248.11960	2.4
249.12686	1.9
250.13644	1.2
251.14262	5.6
253.12291	2.5
253.15901	1.2
255.13779	1.6
257.11728	1.2
261.12775	1.5
261.16345	1.9
263.14346	2.8
265.15942	5.8
267.13846	2.3
273.12744	1.5
275.14377	2.0
277.12723	1.9
277.15955	3.4
279.13986	1.2
287.14264	2.3
289.15921	1.9
290.16632	1.3
291.13895	1.7
291.17203	1.3
293.15479	1.3
303.13828	2.2
304.18332	1.2
311.14352	1.1
317.15378	1.6
319.17273	1.8
319.63547	1.1
353.18939	1.5
358.22940	1.4
363.92453	1.0
383.24051	1.6
386.22363	5.7
387.22549	1.0
393.22263	1.7
396.20715	2.5
397.21619	1.5
399.19626	1.3
401.24860	1.6
403.22391	1.4
404.23380	4.5
411.23206	6.6
414.21915	6.6
415.22577	1.6
427.18707	1.6
429.24216	19.9
430.25012	1.4
431.22205	1.5
432.17065	1.6
432.22964	25.2
433.23254	1.6
439.22702	4.4
442.21445	5.1
447.25302	99.1
448.25647	13.5
457.23761	17.7
458.24069	2.4
460.22519	13.2
461.22382	1.7
475.24808	100.0
476.25015	11.0
493.26004	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
53.03944	2.0
53.66445	0.3
55.01868	1.1
55.05503	1.1
57.03418	0.4
65.03931	0.4
67.05508	3.1
68.99787	0.6
69.03423	2.6
69.07068	1.0
69.15090	1.6
69.15514	1.0
71.04987	1.2
77.03946	0.3
79.05495	4.7
81.03433	1.0
81.07058	8.6
83.04974	1.4
85.02909	0.7
85.27730	0.3
91.05476	7.6
93.07043	5.1
95.04964	1.9
95.08609	3.6
97.02892	9.3
97.06537	0.6
99.04463	1.6
103.05462	0.8
104.83504	0.3
105.04525	0.3
105.07027	7.5
107.04959	0.7
107.08600	2.9
109.02870	1.9
109.06512	3.3
109.10153	0.9
111.04451	1.1
111.08086	1.4
113.02384	1.2
115.03949	0.9
115.05464	1.9
116.06243	0.6
117.07000	3.8
119.08587	4.9
121.06519	1.8
121.10160	1.4
123.04448	0.5
123.08086	0.6
123.11684	0.3
127.03926	0.9
128.06195	3.3
129.07005	4.6
130.07811	0.7
131.04930	0.9
131.08565	4.5
131.09476	0.4
133.06512	1.0
133.10144	5.6
134.10547	0.4
135.08038	2.6
135.11659	0.4
137.05975	7.7
139.07545	0.5
141.06970	3.9
142.07787	3.2
143.08562	5.7
144.09377	0.8
145.06473	1.6
145.10117	5.2
147.08067	0.7
147.11705	1.3
151.07594	0.5
152.06215	1.3
153.06960	2.5
154.07776	3.4
155.08548	16.7
156.09367	3.0
157.06523	0.8
157.10121	4.9
158.07321	0.5
159.04471	0.6
159.08047	1.7
159.11705	2.6
161.06065	0.6
161.09543	1.8
163.07550	0.7
165.07001	3.4
166.07803	1.7
167.08557	5.9
168.09334	1.6
169.06508	1.1
169.10123	9.1
170.10869	1.4
171.08031	1.8
171.11722	4.7
172.08835	0.6
173.06000	1.0
173.09624	1.9
175.07480	0.6
175.11162	0.7
177.08954	0.4
178.07777	1.9
179.07014	0.5
179.08554	6.5
180.09322	2.7
181.06535	1.2
181.10115	4.4
182.07295	1.3
182.10876	1.3
183.08076	1.1
183.11653	3.7
183.28430	0.3
184.12424	0.5
185.09599	1.7
185.13263	1.6
186.10457	0.4
187.11151	2.3
189.06964	0.7
189.09113	0.9
190.07840	0.9
191.08578	2.1
191.10446	0.5
192.09328	3.7
193.10136	5.0
194.07312	0.3
194.10880	3.2
195.08055	5.3
195.11694	5.5
196.08643	0.5
196.12366	1.0
197.09624	6.0
197.13243	2.1
198.10268	0.5
199.07536	0.4
199.11186	2.0
201.09094	0.9
202.07829	1.0
203.08601	2.3
203.10466	0.6
204.09274	1.9
205.10156	4.4
206.10878	3.7
207.08078	0.9
207.11676	7.8
208.08842	0.7
208.12323	1.5
209.09677	1.5
209.13246	5.9
210.13776	0.5
211.07524	0.4
211.11217	1.6
211.14842	0.6
212.08295	0.5
213.09152	2.2
213.12790	0.9
215.08609	1.9
215.10718	7.2
215.12604	0.5
216.09381	2.3
216.11118	0.6
217.10170	3.7
217.12135	0.5
218.10797	2.5
219.08154	1.1
219.11684	6.9
219.13680	0.5
220.08914	0.4
220.12427	2.6
221.09657	1.4
221.13281	5.1
222.10248	0.6
222.13991	1.1
223.11159	2.0
223.14896	1.0
224.08391	0.3
224.11913	0.4
225.09227	0.8
225.12752	1.3
227.08684	0.5
227.10663	0.8
227.14380	0.4
228.09398	0.7
229.10136	3.3
229.12183	0.6
230.10829	3.2
231.08112	0.7
231.11702	4.7
232.08850	0.6
232.12462	3.6
233.09602	1.2
233.13219	4.7
234.10382	0.6
234.13878	0.8
235.11195	2.1
235.14732	1.7
236.12025	0.6
237.09010	0.4
237.12781	2.3
237.16322	0.5
239.10625	0.7
239.14355	0.6
241.10130	1.0
241.12257	0.9
242.10950	1.2
243.11650	4.5
243.13818	0.5
244.12399	3.4
245.09596	1.1
245.13206	5.8
246.10359	0.7
246.13916	1.6
247.11307	1.6
247.14777	3.2
248.11963	0.6
248.15561	0.9
249.09044	0.4
249.12787	1.9
249.16347	1.6
251.10699	0.6
251.14427	0.8
253.10187	0.7
253.12361	1.4
254.10909	0.7
254.13184	0.5
255.11632	1.3
255.13860	5.5
256.12161	1.6
257.09500	0.7
257.13257	4.8
258.10547	0.5
258.13998	3.8
259.11176	1.7
259.14859	5.2
260.11929	1.0
260.15515	1.8
261.12759	1.9
261.16315	2.8
262.09943	0.3
262.13474	0.4
263.10745	0.8
263.14334	1.0
263.17871	0.7
265.12308	1.1
267.11481	0.6
267.13879	4.1
268.14517	0.6
269.10266	0.4
269.13034	1.7
270.10657	0.7
270.14011	1.4
271.11258	1.1
271.14856	2.4
272.11993	1.1
272.15598	2.3
273.12814	1.3
273.16422	3.9
274.13593	0.8
274.17032	1.5
275.11075	0.8
275.14322	2.3
275.17929	1.4
276.11438	0.5
276.14975	0.8
276.18326	0.4
277.12363	0.9
277.15961	1.0
277.19266	0.4
278.13351	0.4
279.13895	0.9
281.13135	1.0
282.13913	0.4
283.11368	0.5
283.14792	1.2
284.12161	0.7
284.15582	1.1
285.12753	1.1
285.16357	2.0
286.13531	1.1
286.17102	1.7
287.14304	2.7
287.17963	3.1
288.15030	1.1
288.18472	0.7
289.12390	1.0
289.15878	1.2
289.19482	1.1
290.13226	0.5
290.16660	0.5
291.13940	0.8
291.17258	0.5
293.15665	0.8
295.14539	0.5
296.15387	0.4
297.12851	0.4
297.16345	1.2
298.13605	0.5
299.14392	1.4
299.18036	1.1
300.15219	0.4
301.12723	0.5
301.15897	2.3
301.19534	2.2
302.16663	1.1
302.20212	0.4
303.13821	0.8
303.17453	1.6
303.21121	1.5
305.15338	2.1
305.18845	0.6
307.17358	0.4
309.12637	0.4
309.16196	0.4
311.17804	0.5
313.15833	0.6
313.19376	0.4
314.16647	0.6
315.14133	0.4
315.17459	0.8
315.21094	1.3
316.18164	0.4
317.15479	1.6
317.18698	0.4
318.16159	0.9
319.16907	2.1
319.20593	0.8
320.17654	1.0
324.15118	0.4
327.17371	0.9
329.18896	2.4
331.17093	0.5
331.20529	2.0
332.17838	0.8
333.18503	1.1
339.17365	0.4
341.19095	0.9
342.19647	0.7
343.16724	0.5
343.20654	0.5
345.18515	1.7
345.22281	0.4
347.20111	5.1
348.20660	1.0
349.21637	2.4
350.22498	0.4
359.19922	0.6
360.20844	0.7
361.21738	0.9
393.22275	0.4
411.23370	1.8
415.22623	1.2
421.21713	1.0
429.24527	3.6
430.24957	0.4
431.26227	2.7
439.22705	3.1
447.25732	0.7
457.23740	17.0
458.24155	1.5
475.24814	100.0
476.25211	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.248
Annotation	Flemiphyllin
Peak:m/z	Relative Intensity
55.01902	2.3
55.05500	2.0
67.05518	1.8
67.40034	1.2
69.03455	2.7
69.04617	14.3
79.05473	1.8
81.07069	3.0
83.04985	3.5
91.05489	5.9
93.07027	5.2
95.08611	4.1
99.67877	1.4
105.07031	5.4
107.08585	1.7
111.04422	2.0
111.08090	2.0
115.05421	1.6
117.07019	3.4
119.08579	4.4
121.06514	3.0
121.35940	1.4
123.08119	1.7
128.06227	3.1
129.07011	3.5
131.08569	9.1
133.10162	5.6
135.08049	2.7
137.05983	2.0
141.06978	2.8
142.07813	4.2
143.08617	7.2
145.06509	2.3
145.10123	4.3
147.08080	1.5
147.11722	1.7
153.07043	1.6
153.11732	1.5
155.08553	14.9
156.09418	2.6
157.10162	7.4
159.08069	6.6
159.11722	1.6
160.08978	1.7
161.09644	8.9
165.07111	1.8
167.08591	3.0
169.10146	4.9
171.08075	4.7
171.11687	5.9
173.09637	3.4
175.11206	5.0
178.07787	1.8
179.08534	4.8
180.09442	2.3
181.10202	2.2
182.10861	1.4
183.08101	3.2
183.11905	2.2
185.09656	5.4
187.07602	3.6
193.10178	2.9
195.08040	2.3
195.11728	3.2
197.09642	3.4
197.13348	1.6
199.11206	2.3
199.39580	1.9
200.24091	1.5
203.08736	1.9
203.10744	3.8
205.10263	1.7
207.11749	3.4
208.08768	1.4
209.09654	2.9
209.13216	8.6
210.10512	1.6
211.11205	4.0
213.12752	4.8
215.10597	1.3
217.12248	3.8
221.09543	1.4
221.13242	3.0
223.11177	9.3
223.14830	1.8
225.12767	1.7
229.10284	1.7
231.11766	2.7
232.12349	1.7
233.13255	1.9
235.11163	2.1
237.12642	3.3
241.12283	5.0
243.11566	1.9
244.12387	1.6
245.13185	2.0
247.11145	2.4
253.12364	2.4
255.13898	9.0
263.14456	1.6
273.12946	2.0
275.14389	2.1
277.15802	1.7
279.13928	1.6
313.16010	1.7
325.15756	2.9
369.22205	1.6
393.21902	1.8
397.21921	2.3
411.23318	7.4
415.22803	6.1
421.21515	2.4
429.24280	43.2
430.24686	5.5
431.26202	2.2
433.23831	2.6
439.22885	11.2
447.25204	2.5
457.23798	23.3
458.24417	2.7
475.24808	100.0
476.25174	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01863	4.7
55.05513	8.9
57.03434	1.7
59.46301	1.1
65.03943	1.5
66.17643	1.2
67.05505	12.9
69.03423	9.4
69.07072	3.0
71.04983	1.8
79.05495	9.5
81.03395	1.8
81.07057	8.7
83.04981	19.9
83.08611	1.4
91.05474	19.2
93.07044	22.5
95.01368	1.6
95.04967	6.2
95.08604	24.9
97.02892	4.6
97.06553	1.7
103.05479	4.0
105.03360	1.2
105.04533	1.6
105.07027	21.9
107.04967	2.6
107.08587	11.6
109.02901	1.5
109.06532	4.9
109.10155	2.9
111.04459	9.6
111.08085	6.5
115.05450	5.5
116.06281	1.2
117.07030	9.5
119.04964	1.4
119.08587	27.2
119.09448	1.6
121.06512	9.6
121.10173	5.5
123.04397	1.9
123.08069	7.8
125.06020	1.2
125.09671	1.4
128.06224	7.1
129.07008	13.9
130.07785	1.8
131.04915	2.6
131.08559	14.7
133.06493	4.6
133.10123	20.1
135.04407	1.5
135.08038	7.1
135.11699	1.7
137.06007	3.4
139.07527	6.3
141.06978	9.7
142.07787	9.8
143.08571	18.8
144.09340	2.3
145.06503	6.8
145.10123	15.0
146.07220	1.7
146.10912	1.6
147.04395	1.8
147.08052	8.7
147.11685	8.1
149.05969	4.5
149.09619	3.0
151.11191	1.4
152.06223	2.1
153.07016	3.5
154.07765	3.9
155.08574	15.7
156.09341	5.7
157.06554	3.1
157.10118	15.7
158.07262	2.6
159.04468	4.8
159.08067	8.6
159.11658	7.3
161.06020	4.1
161.09613	10.6
161.13254	2.7
163.11206	2.8
165.07005	5.2
166.07796	3.0
167.08557	10.0
168.09352	3.6
169.06496	2.2
169.10123	15.2
170.07224	2.3
170.10928	2.2
171.08046	12.8
171.11685	8.1
172.08746	2.3
173.05956	3.8
173.09616	14.2
173.13310	1.9
174.06752	1.6
175.07556	9.9
175.11224	4.5
177.12804	1.3
178.07838	4.1
179.08528	7.6
180.09329	3.5
181.06555	1.9
181.10098	7.4
182.10864	3.2
183.08006	5.1
183.11690	10.0
184.12366	1.4
185.06044	1.6
185.09630	13.7
185.13292	2.8
187.07507	5.1
187.11156	9.8
189.05492	2.3
189.09117	5.5
189.12733	2.3
191.08571	2.9
192.09369	5.9
193.10130	10.9
194.10909	4.5
195.08060	9.5
195.11699	8.2
196.08769	1.8
196.12555	2.1
197.05971	2.7
197.09613	11.7
197.13268	4.0
199.07632	3.7
199.11261	5.4
199.14848	4.3
201.09152	5.6
201.10861	1.3
201.12773	2.9
202.07767	1.7
203.06943	1.4
203.08624	3.1
203.10738	4.6
204.09277	2.7
205.10217	6.0
205.12001	1.6
206.10951	6.7
207.08044	2.6
207.11691	10.5
208.08887	2.2
208.12465	2.2
209.09656	5.8
209.13210	7.2
210.10481	1.4
210.13965	1.9
211.07593	4.9
211.11154	20.7
211.14871	2.3
212.11757	2.6
213.09077	15.5
213.12767	3.0
215.08702	2.1
215.10660	4.8
216.09282	3.3
217.10283	6.3
217.12051	1.6
218.11009	2.6
219.08092	2.0
219.11737	8.4
220.08913	2.2
220.12430	2.8
221.09669	4.3
221.13336	7.8
222.10423	3.8
222.13687	1.4
223.07674	3.0
223.11208	8.1
223.14799	2.9
225.09163	4.7
225.12700	5.9
226.13521	1.6
227.10707	1.6
227.14307	6.0
229.08342	1.5
229.10220	3.4
229.12279	1.5
230.10947	3.9
231.07898	2.2
231.10176	10.1
231.11856	4.3
232.08760	2.7
232.12437	3.3
233.09680	5.3
233.13274	4.4
234.10332	3.1
235.11188	10.7
235.14790	2.3
236.12038	1.9
237.09099	3.8
237.12717	10.5
239.10643	4.2
239.14322	6.4
240.11481	1.2
241.10117	2.0
241.12320	3.1
241.15961	1.2
243.11694	3.9
244.12497	4.1
245.09608	4.4
245.13242	7.3
245.15443	2.8
246.10400	3.0
246.13992	3.0
247.07594	1.7
247.11258	4.8
247.14787	5.3
248.08339	2.2
248.11794	2.2
248.15550	1.2
249.09119	4.2
249.12802	4.1
250.09689	1.2
251.10750	3.9
251.14337	2.3
253.12328	5.4
253.15898	1.2
255.11641	2.2
255.13928	5.0
256.12473	2.4
257.09509	1.7
257.11719	5.2
257.13663	3.3
258.10349	1.4
258.14096	3.2
259.11389	5.6
259.14774	6.4
260.08401	1.8
260.12033	2.5
260.15463	1.3
261.09106	3.7
261.12683	8.1
261.16412	4.4
262.13577	2.2
263.10696	9.2
263.14316	4.4
265.12296	7.4
265.15344	1.2
267.11563	2.0
267.13885	3.4
269.13232	3.2
271.14792	4.1
272.12009	2.6
272.15649	2.7
273.12891	6.3
273.16205	5.6
274.09927	2.9
274.13525	2.2
275.10715	5.1
275.14322	7.5
275.17853	2.1
276.11212	2.2
276.15060	2.3
277.12262	5.5
277.15839	4.2
279.13870	3.3
281.11792	9.5
281.15109	1.5
283.13333	2.0
284.15552	2.4
285.12799	3.4
285.16144	2.0
286.10245	1.2
286.13406	1.9
286.16876	1.6
287.10983	2.1
287.14322	5.7
287.17807	2.8
288.11411	1.5
288.15179	1.8
289.12241	6.8
289.15909	9.7
290.13031	1.9
291.13797	6.0
291.17081	2.2
293.15430	2.2
297.09137	1.7
297.12643	1.3
297.16302	4.2
299.14392	3.1
299.17984	2.8
300.15121	2.6
301.12146	4.5
301.15900	5.9
301.19241	1.3
302.16617	1.7
303.13760	4.3
303.17432	3.2
304.14633	1.7
305.15417	4.3
307.13654	1.7
307.16943	4.1
311.17953	1.3
312.15195	1.3
312.18649	1.6
313.12253	1.8
313.15768	2.1
313.19269	1.7
315.13730	2.8
315.17456	5.2
316.14557	2.2
316.17944	1.5
317.15381	7.8
317.18973	2.5
319.16953	4.1
319.20456	2.0
321.15256	2.2
325.15860	3.3
327.13766	1.7
327.17563	1.8
329.15332	3.6
329.19016	2.3
330.16214	2.1
330.19891	3.3
331.16989	2.2
331.20486	1.9
333.15060	2.4
333.18320	5.5
335.16489	8.5
339.17474	1.4
343.16858	8.4
344.17322	1.6
345.18457	4.5
347.20111	6.1
351.17560	1.2
353.19003	1.7
357.18369	2.5
358.19333	3.9
361.18045	9.3
363.19653	4.4
365.21335	5.1
369.18509	2.1
371.20016	1.6
375.19415	2.7
376.20279	3.4
381.18768	1.8
383.23862	1.3
385.17813	2.0
387.19232	2.5
393.22119	3.5
397.21695	2.1
411.23355	13.3
412.23459	1.3
413.25067	1.3
415.22885	1.9
421.21579	4.5
429.24307	31.6
430.24503	3.0
431.26273	1.6
439.22653	19.5
440.23145	2.5
447.25891	2.0
457.23718	51.0
458.24103	5.2
475.24799	100.0
476.25082	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47260	1.2
53.03950	8.9
55.01871	3.7
55.05507	7.0
62.41167	1.3
65.03941	3.3
67.05502	12.2
69.03429	5.3
69.07064	4.1
69.29808	8.8
71.04965	1.4
79.05489	12.5
81.03410	1.5
81.07056	18.6
83.04974	13.6
83.08636	2.1
91.05480	22.6
92.35690	1.2
93.07054	18.1
95.04972	7.5
95.08611	13.2
97.06505	1.3
98.22613	2.6
103.05495	2.2
105.03419	3.1
105.04501	1.6
105.07040	18.8
107.04959	4.1
107.08588	9.0
107.76029	1.4
109.02879	7.7
109.06520	9.4
109.10165	3.6
111.04441	6.5
111.08074	3.7
115.05455	4.1
116.06241	2.2
117.07025	10.5
119.04948	2.5
119.08577	17.3
121.06486	7.8
121.10133	4.0
123.04443	2.6
123.08059	3.1
128.06227	10.3
129.07021	11.9
130.07790	4.7
131.04936	5.1
131.08549	16.7
133.06474	4.6
133.10118	7.1
135.04398	2.6
135.08044	9.7
137.05992	20.9
139.07553	2.6
141.06995	5.7
142.07788	10.6
143.04897	1.4
143.08571	19.3
144.09308	3.0
145.06500	5.8
145.10130	21.7
147.08003	6.9
147.11716	6.4
149.09618	2.5
151.07545	1.6
153.07013	3.7
154.07765	4.9
155.08531	15.4
156.09364	6.9
157.06505	4.8
157.10130	17.6
158.07259	3.2
158.10829	1.5
159.04483	2.8
159.08092	8.9
159.11719	10.4
161.05975	2.3
161.09625	6.7
161.13249	1.5
161.50438	1.3
163.07567	1.6
163.11162	1.3
165.06999	8.1
166.07780	2.9
167.08615	8.2
168.09349	4.1
169.06378	1.6
169.10132	20.8
170.10892	2.5
171.08089	15.0
171.11682	9.3
172.08809	2.4
173.06061	1.8
173.09618	14.2
173.13287	2.1
175.07600	4.0
175.11183	4.1
178.07845	2.9
179.08543	9.5
180.09323	7.8
181.10130	9.5
182.07156	1.4
182.10878	5.0
183.08060	4.0
183.11687	10.1
185.09615	11.2
185.13284	2.1
187.07564	2.4
187.11185	10.5
189.09102	3.4
189.12645	1.6
191.08591	1.7
191.10730	2.0
192.09349	5.2
193.10056	7.5
194.10896	3.9
195.08047	5.0
195.11694	11.6
196.08806	2.0
196.12401	2.3
197.09633	13.3
197.13226	9.3
198.10434	1.5
199.11206	6.7
199.14857	3.0
201.09132	3.4
201.12694	2.0
203.08640	3.2
203.10660	2.2
204.09315	2.4
205.10188	4.2
206.10907	4.4
207.11688	17.8
208.08862	2.4
208.12305	2.5
209.09593	7.7
209.13173	7.3
210.10345	5.0
210.13892	1.6
211.11253	7.9
211.14899	2.8
213.09091	2.2
213.12743	7.0
215.08707	2.4
215.10701	8.5
216.09471	2.5
217.10147	4.3
218.10887	3.8
219.08177	1.6
219.11908	6.2
220.08783	1.5
220.12416	2.6
221.09636	3.4
221.13235	8.6
222.10294	2.7
223.11176	10.8
223.14781	2.3
224.11890	2.9
225.12744	15.5
227.10684	3.0
227.14394	3.1
229.10146	4.4
229.12169	2.1
230.10811	3.4
231.11687	5.4
232.12469	2.9
232.47049	1.3
233.09592	2.4
233.11395	2.7
233.13283	5.9
234.13977	1.6
235.11206	5.3
235.14874	3.4
237.09251	1.5
237.12778	15.2
238.13448	1.8
239.10674	2.0
239.14322	5.9
241.12253	2.9
242.67911	1.4
243.11780	2.8
243.13837	4.8
244.12473	4.4
245.09550	1.5
245.13290	6.2
246.10307	2.0
246.14087	1.6
247.11172	6.2
247.14841	4.1
248.11971	2.0
249.12709	4.6
249.16492	2.8
253.12326	2.9
255.11607	2.2
255.13853	4.3
256.12451	2.5
257.13177	3.0
257.15500	2.9
258.13895	2.7
259.11218	3.4
259.14908	6.6
260.11960	3.2
261.12790	6.9
261.16260	2.6
262.13550	3.0
263.14383	4.7
265.12668	1.7
265.15881	2.0
267.13950	2.6
269.13260	2.7
271.14807	1.9
272.11914	1.7
273.12726	2.6
273.16443	4.2
274.13281	1.9
274.17255	1.7
275.14310	5.1
276.15134	2.3
277.12360	1.7
277.15869	4.2
279.14005	1.7
281.13052	1.4
281.15720	1.5
282.13831	1.4
283.14697	2.8
285.12872	2.3
285.16312	2.5
287.14294	4.7
287.17752	2.6
288.14899	1.6
289.15863	5.0
291.14023	2.6
291.17245	2.6
293.15439	3.0
297.16235	1.6
299.14386	3.2
299.17770	2.4
300.14987	1.7
301.15903	4.6
302.16641	4.5
303.17282	3.2
305.15433	3.8
307.17023	2.9
311.13922	1.9
313.15717	1.9
315.17404	3.4
317.15460	3.1
317.18903	1.6
319.16971	2.9
321.18509	2.8
331.20508	2.2
335.16608	1.7
337.15970	2.0
341.18829	2.5
343.16977	2.4
345.18692	1.7
347.20251	1.7
361.18005	2.4
365.22269	1.9
369.22372	1.9
376.20099	2.0
383.23581	1.8
387.23447	1.8
393.22147	4.6
397.21808	3.2
401.24951	2.1
411.23169	16.2
413.25076	2.8
414.17181	1.6
415.22855	3.1
419.19296	1.4
421.21490	5.6
429.24252	45.7
430.24652	4.7
431.25946	7.1
433.24045	2.2
439.22650	24.4
440.23016	2.7
447.25162	4.9
457.23755	51.1
458.24005	2.5
475.24765	100.0
476.25134	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01876	1.5
55.05511	6.7
65.03930	1.3
67.05509	8.1
69.03427	3.0
69.07088	1.4
69.14188	9.2
71.04988	1.0
71.42886	1.0
72.09898	1.0
79.05501	8.0
81.07057	8.5
83.04980	20.0
83.08626	1.1
91.05473	12.5
93.07049	13.9
95.04972	6.4
95.08608	13.3
97.02897	2.5
97.06524	2.4
99.04465	0.9
103.05465	1.4
105.07028	16.2
107.04939	1.4
107.08625	6.2
109.02876	1.2
109.06529	4.9
109.10191	2.1
111.04449	11.3
111.08096	4.0
113.06033	2.3
115.05467	4.6
117.07025	7.4
119.04916	1.5
119.08567	11.0
121.06522	7.3
121.10156	2.7
123.08072	3.5
128.06235	6.9
129.07024	10.1
130.07799	1.4
131.08572	11.1
133.06476	2.4
133.10150	6.9
135.08072	4.1
137.05962	3.3
139.07568	2.6
141.06973	8.4
142.07790	9.7
143.08568	13.7
144.09325	1.6
145.06526	3.7
145.10132	8.0
147.08073	4.4
147.11707	4.3
151.07541	9.8
152.06255	2.1
153.07025	3.9
154.07819	4.9
155.08569	18.3
156.09358	6.1
157.06525	2.1
157.10110	12.5
158.07335	1.2
158.78220	1.0
159.08090	5.8
159.11668	5.3
160.08972	1.2
161.09624	4.5
163.11229	1.8
165.06953	8.9
165.09113	2.3
166.07796	4.4
167.08580	11.2
168.09361	2.4
169.06409	1.3
169.08791	1.1
169.10144	15.0
170.07195	1.4
170.10802	1.0
171.08072	3.0
171.11696	11.4
173.09590	5.6
173.13261	1.5
175.07643	2.1
175.11234	5.0
177.09120	1.8
178.07794	4.8
179.07158	1.3
179.08565	11.0
180.09343	8.5
181.06503	1.2
181.10077	8.8
182.07301	1.6
182.10912	2.6
183.08084	3.8
183.11687	6.5
184.08859	1.3
185.09633	7.4
185.13208	1.3
187.11201	2.7
189.09105	2.0
190.07747	1.5
191.08589	5.7
191.10715	3.3
192.09302	15.0
193.10100	11.3
194.10876	8.1
195.08084	10.8
195.11696	16.7
196.08725	1.8
196.12408	1.4
197.09616	8.6
197.13240	4.0
198.10455	1.4
199.11206	4.9
201.12773	1.6
201.96918	1.1
202.07794	1.6
203.08566	2.9
203.10669	3.5
204.09349	4.1
205.10182	6.5
205.12047	1.6
206.10904	5.6
207.08142	1.9
207.11685	15.3
208.08827	1.8
208.12599	2.2
209.09688	3.9
209.13240	11.5
210.10367	2.3
210.14107	2.7
210.93140	0.9
211.11234	3.9
211.14937	1.4
213.09171	2.2
213.12747	3.0
214.15164	1.0
215.08597	2.9
215.10728	6.2
216.09386	3.1
217.10143	5.1
217.12102	2.2
218.07495	1.2
218.10855	4.1
219.08185	2.0
219.11804	9.5
220.12534	3.5
221.09758	2.3
221.13301	8.0
222.10370	2.0
222.13846	1.2
223.11243	4.8
223.14818	2.1
225.09113	1.6
225.12778	3.8
227.10638	1.5
228.09209	1.8
229.08255	1.0
229.10130	5.5
230.10889	4.9
231.11708	7.9
232.08873	1.5
232.12518	4.4
233.09666	3.8
233.13242	6.1
234.10425	1.9
234.14066	1.3
235.11169	7.2
235.14861	1.4
236.11977	1.5
237.12753	14.0
238.13428	2.7
239.10765	1.9
239.14372	4.1
240.09312	1.4
241.10118	2.7
241.12364	2.5
242.10951	4.5
243.11679	8.2
243.13747	1.3
244.12442	3.8
245.09512	2.2
245.13326	7.3
246.10490	2.0
246.14059	3.5
247.11249	3.7
247.14984	3.3
249.12733	5.6
251.10670	1.2
251.14328	1.8
253.10074	2.1
253.12372	1.8
254.10881	1.2
255.11562	3.9
255.13876	11.2
256.12402	5.4
257.09647	1.4
257.10712	1.3
257.13303	10.0
258.14056	4.2
259.11166	2.9
259.14755	6.4
260.12125	2.1
260.15494	1.2
261.12833	4.5
261.16306	2.4
262.13574	1.6
263.10858	2.0
263.14340	3.1
265.12314	2.2
267.11551	1.6
267.13931	3.4
268.12537	2.2
269.09674	1.7
269.13300	4.9
270.10526	1.1
270.14011	5.0
271.11212	2.5
271.14890	6.5
272.12042	1.6
272.15515	3.5
273.12827	3.0
273.16422	5.6
274.13535	1.5
275.14398	3.5
275.18021	1.6
277.12299	2.3
277.15765	1.7
279.13971	1.5
281.13071	1.6
282.14047	2.8
283.11249	2.2
283.14737	3.4
284.15671	2.6
285.12747	3.1
285.16370	4.3
286.13629	1.9
286.17120	3.1
287.11124	1.1
287.14612	4.6
287.17932	4.3
288.15106	2.0
288.18594	1.3
289.15976	3.5
289.19131	1.2
291.17374	1.8
295.14832	2.3
296.15503	1.3
297.13034	2.2
297.16418	5.6
298.13675	1.6
298.17029	1.6
299.14328	4.5
299.17914	4.3
300.14996	3.0
300.18567	1.2
301.12650	1.3
301.15991	3.1
301.19379	2.0
302.20200	1.3
303.13889	2.0
303.17191	1.9
305.15402	1.3
311.14432	1.9
311.17764	2.0
312.18625	1.7
313.15851	2.8
313.19412	2.5
315.14105	1.5
315.17465	5.8
316.17957	1.2
317.15405	2.7
317.18988	1.6
318.16074	2.0
319.16876	2.1
319.20499	1.3
320.17386	1.1
325.15915	3.3
326.16656	1.5
327.17401	2.2
328.18204	1.9
329.19009	3.9
330.19785	1.7
331.16992	1.4
333.18561	2.1
339.17477	1.2
340.18417	1.8
341.18994	1.1
343.16983	4.9
343.20743	1.1
345.18521	1.6
347.20135	2.4
357.18442	2.9
358.19214	4.4
359.20126	1.3
361.18277	1.8
376.20328	1.8
383.23654	2.0
393.22260	1.8
397.22256	1.6
399.23334	1.8
401.24719	2.3
411.23227	9.3
412.23621	1.3
413.24918	3.3
415.22879	2.8
421.21759	3.6
427.22632	4.8
429.24292	20.6
430.24710	1.2
431.25906	7.9
439.22745	13.4
445.23642	2.1
447.25327	3.2
457.23740	67.1
458.24084	7.3
474.81421	2.1
475.24823	100.0
475.32266	10.6
475.82819	3.4
476.25323	8.3
476.31729	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.7
55.01884	6.1
55.05515	13.7
65.03961	2.8
67.05501	24.5
69.03445	12.8
69.03869	26.1
69.07071	5.3
70.39835	2.7
71.05006	4.1
73.06555	3.5
77.61816	3.3
79.05510	17.0
81.03436	9.1
81.07087	10.7
83.04991	31.1
83.08650	4.5
83.99183	2.8
91.05490	43.5
93.07054	41.0
95.04971	15.6
95.08617	31.8
95.59375	2.6
97.06517	4.0
105.07040	39.5
107.04986	8.8
107.08621	18.3
109.06537	6.9
109.10190	7.6
111.04453	17.1
111.08084	13.2
115.05486	8.2
117.07008	19.6
119.08578	40.1
121.02855	4.0
121.06503	15.8
121.10197	6.1
121.55396	2.4
123.08089	9.9
128.06221	18.6
129.07048	20.7
130.07800	3.2
131.04990	4.2
131.08600	24.2
133.06519	7.1
133.10112	31.4
133.85049	2.7
135.08095	12.0
135.11726	5.7
137.05925	3.0
139.07599	8.0
141.07011	14.6
142.07788	13.3
143.08565	25.0
144.09294	3.1
145.06552	12.1
145.10114	20.6
147.04410	5.2
147.08067	14.1
147.11740	8.5
149.06018	5.5
149.09644	3.2
151.07611	6.5
153.07051	6.2
154.07790	5.8
155.08554	20.5
156.09398	4.9
157.06572	6.8
157.10109	22.4
158.07277	3.0
159.04468	9.2
159.08104	12.1
159.11678	16.3
161.06075	11.2
161.09592	17.7
163.07574	3.7
163.11354	3.2
165.07022	8.3
165.09128	19.1
166.07777	4.2
167.08556	14.1
168.09357	4.2
169.06482	4.9
169.10074	17.4
170.07379	4.9
170.10942	3.9
171.08015	19.3
171.11795	9.8
172.08694	4.2
173.06065	8.7
173.09604	19.7
174.06854	3.4
175.07631	7.6
175.11293	12.8
178.07829	6.1
179.08647	9.1
181.10124	14.7
182.07355	3.5
183.08134	6.4
183.11807	9.4
185.06073	4.3
185.09595	14.7
185.13309	6.6
187.07661	9.3
187.11157	14.9
189.05540	4.4
189.09225	9.3
189.12799	7.5
191.08719	4.2
191.10728	5.4
192.09456	8.5
192.61737	2.8
193.10097	15.6
194.10851	4.4
195.08138	9.7
195.11772	10.9
196.08755	3.2
197.06030	10.2
197.09641	18.2
197.13356	6.4
198.06888	4.0
199.07635	10.5
199.11266	10.0
199.14914	3.9
201.09172	11.3
201.12767	5.4
203.08765	4.8
203.10739	8.7
204.09344	6.6
205.10213	7.3
205.12245	4.5
206.10980	6.2
207.08154	3.6
207.11766	14.4
209.09700	9.9
209.13358	11.5
211.07597	16.3
211.11188	27.6
213.09076	15.3
213.12625	5.1
215.08734	5.0
215.10637	5.8
217.10226	8.2
218.10966	4.6
219.08154	3.4
219.11806	11.6
220.08945	6.1
221.09747	7.9
221.13339	8.1
222.10458	8.6
223.07584	7.6
223.11275	12.2
225.09206	7.8
225.12863	12.5
227.10780	4.4
227.14403	7.9
229.10330	5.1
230.11073	4.5
231.09911	19.2
231.12178	5.1
232.09048	5.4
232.12514	6.3
233.09694	7.1
233.13301	8.0
234.13986	3.1
235.07552	3.9
235.11258	12.7
237.09175	8.9
237.12796	13.2
239.10725	8.3
239.14497	8.4
241.12331	7.6
243.11922	5.7
244.12709	3.8
245.09746	4.7
245.13385	7.4
245.15570	4.3
246.10538	6.4
247.11273	8.3
248.08336	5.8
249.09163	10.9
249.12930	7.3
251.10779	8.4
251.14127	3.9
253.10208	2.9
253.12173	14.2
255.13864	6.6
256.12408	4.5
257.11682	7.0
258.14267	5.5
259.11252	7.9
259.14871	7.5
260.12064	5.9
261.09271	11.6
261.12939	9.7
262.09973	6.0
262.13306	3.9
263.10797	28.5
263.14096	5.6
264.11426	3.8
265.12234	20.5
267.13907	11.0
268.49106	3.0
269.15485	3.7
271.03992	2.7
271.14859	6.0
272.15616	3.5
273.09320	3.1
273.12854	8.0
273.16333	6.0
274.10083	6.1
274.13284	3.6
275.10825	11.2
275.14304	7.5
277.12402	11.7
277.15921	4.1
279.13992	10.8
281.11890	10.4
281.15363	3.3
285.13037	4.1
285.16284	3.7
286.13370	4.0
287.10800	5.4
287.14264	7.4
288.11545	4.7
288.14929	3.8
289.12238	14.6
289.15942	12.3
290.13202	5.3
291.13965	22.1
291.17221	5.9
293.15384	5.1
299.14383	4.1
299.18011	4.4
301.12308	6.5
301.15845	3.7
303.13950	9.1
303.17267	6.5
304.14691	4.5
305.15564	10.1
307.13608	5.6
307.17004	6.9
310.17032	3.5
315.13867	7.4
315.17712	7.1
317.15454	14.8
319.16953	5.2
325.15945	3.8
327.13794	3.6
327.17349	3.5
329.15524	5.1
331.17084	4.4
331.20807	3.3
333.15192	4.4
333.18665	14.1
335.16458	13.8
336.17157	3.3
343.16949	15.3
345.18448	5.2
347.16486	4.1
347.20270	6.8
357.14615	3.5
357.18533	6.1
358.19415	3.8
361.17960	15.8
363.19409	4.6
365.21320	10.8
369.18515	5.4
375.19699	5.7
383.22540	5.9
387.19553	6.8
393.22601	4.5
411.23169	15.1
415.22961	4.3
429.24411	44.4
430.24408	3.6
439.22775	34.6
440.23328	4.2
447.25485	4.9
457.23907	64.7
458.24265	6.5
475.25113	100.0
476.25314	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01870	2.1
55.05506	4.5
61.49767	1.7
67.05496	11.6
69.03408	1.7
69.39350	9.3
69.39758	3.4
79.05508	9.8
80.35143	1.7
81.07054	10.5
83.04979	16.8
83.12878	1.8
91.05479	13.2
92.05764	2.1
93.07062	13.8
95.04968	5.7
95.08598	11.2
97.02888	3.0
97.06546	2.8
105.07050	15.7
106.57460	1.6
107.08585	6.2
109.06548	4.3
109.10106	2.0
111.04440	11.6
111.08090	3.0
117.07039	5.1
119.08577	9.2
121.06528	3.7
121.10188	3.8
123.08024	3.3
128.06190	3.0
129.06990	6.4
131.08572	9.2
133.06490	2.9
133.10112	7.8
135.08051	3.6
137.05951	2.3
141.06996	5.6
142.07802	5.7
143.08574	6.8
145.10109	5.9
146.01247	1.8
147.08063	4.4
147.11682	5.4
149.09642	3.0
151.07547	6.5
153.06967	4.5
154.07735	4.5
155.08578	15.7
156.09283	4.4
157.10121	10.1
159.08038	4.8
159.11728	4.3
161.09636	4.1
165.06992	4.6
165.09134	7.5
166.07777	4.3
167.08571	10.1
168.09341	2.6
169.10124	11.7
169.22679	2.1
171.08090	3.6
171.11705	6.3
173.09618	4.3
175.07637	1.9
175.11209	4.5
178.07782	3.2
179.08575	6.7
180.09320	4.5
181.10117	5.4
182.10899	2.5
183.08012	2.0
183.11714	5.1
185.09697	4.4
187.11154	3.5
189.09167	2.2
191.08511	3.6
191.10492	2.6
192.09319	20.9
193.10144	9.0
194.10910	5.4
195.08069	14.9
195.11647	9.9
196.12373	2.1
197.09573	5.8
197.13123	2.4
199.11192	4.9
203.08553	3.4
204.09351	3.8
205.10097	5.5
205.12051	2.5
206.10901	5.7
207.11679	16.6
208.12505	2.3
209.09628	3.9
209.13301	7.7
211.11281	3.5
213.09128	3.4
215.08701	2.3
215.10753	4.3
216.09225	3.4
217.10176	4.0
219.11697	7.6
220.12587	2.2
221.13315	5.5
222.10347	2.4
223.11217	3.1
223.14764	2.7
225.12813	3.5
229.10208	4.0
230.10995	3.7
231.11708	5.3
232.12381	4.1
233.09569	3.0
233.13211	5.4
235.11259	5.3
237.12801	6.0
239.14313	2.7
241.09987	2.1
241.12259	2.4
242.10934	2.2
243.11682	4.9
244.12421	3.3
245.09563	4.6
245.13249	3.7
246.14020	2.6
247.11189	4.5
247.14902	3.6
248.15233	2.0
249.12784	4.5
249.16403	2.5
253.12273	3.3
255.11444	2.3
255.13864	8.5
256.12485	3.9
257.13284	5.2
258.14200	3.1
259.11142	2.4
259.14914	3.1
261.12851	3.2
261.16284	1.9
263.14505	2.2
265.12329	2.7
267.13858	2.2
270.13907	3.3
271.14774	4.1
272.15555	3.2
273.12918	2.3
273.16248	4.1
275.14334	4.0
282.14090	2.3
283.14813	3.3
285.16339	4.1
286.17136	2.4
287.14313	3.1
289.12512	2.1
289.15833	2.9
297.16074	1.9
299.14478	3.3
299.17746	2.6
300.15240	2.8
301.12338	2.4
301.15955	3.7
311.14566	2.3
312.18329	1.9
313.15948	2.2
315.13892	2.0
315.17349	2.9
317.15353	4.4
325.15854	2.9
329.18994	2.7
343.16962	4.2
345.18628	2.7
347.20242	2.9
357.18439	2.4
358.19220	5.3
393.22003	2.9
397.21637	2.6
411.23108	7.7
415.22964	3.2
427.23004	3.1
429.24417	13.3
430.24957	2.9
431.25934	5.2
439.22424	10.4
457.23706	48.5
458.23978	5.2
475.24783	100.0
475.31650	3.9
476.25192	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
55.01868	6.7
55.05518	11.8
61.34412	1.6
67.05505	18.0
69.03455	8.9
69.07073	3.3
69.28077	12.3
70.25698	1.8
71.04997	1.8
79.05494	5.8
79.31090	2.0
80.01205	2.3
81.03410	2.7
81.07047	6.1
81.87817	1.7
83.04977	26.7
83.94810	1.9
84.34187	1.7
91.05482	29.3
93.07048	30.5
95.01340	1.8
95.04977	8.3
95.08615	30.8
97.06564	2.6
98.22622	4.1
103.05482	3.6
105.07043	30.9
107.04951	2.5
107.08623	14.0
109.06506	6.6
109.10161	5.7
111.04441	13.7
111.08086	15.2
111.71868	1.8
115.05474	7.3
116.06240	2.5
117.07014	10.9
119.08586	44.4
120.98275	1.6
121.06516	11.1
121.10185	5.8
123.08067	10.0
128.06226	14.4
128.60185	1.9
129.07005	16.4
130.07788	3.9
131.04982	2.6
131.08583	19.0
133.06535	6.0
133.10127	30.9
135.08073	6.5
139.07545	7.6
141.06976	10.9
142.07767	10.8
143.08543	25.3
144.09352	5.6
145.06487	7.1
145.10120	17.9
147.04427	3.9
147.08052	13.6
147.11719	11.5
149.06000	4.7
149.09686	4.1
151.07669	2.5
152.06282	3.0
153.06996	6.9
154.07790	5.9
155.08540	15.8
156.09377	7.6
157.06529	6.6
157.10138	22.1
158.07237	2.8
159.04402	5.6
159.08107	14.0
159.11670	11.0
160.08913	3.7
160.76270	1.8
161.06015	8.7
161.09636	14.4
161.13304	4.5
163.07620	2.2
163.11288	2.5
165.06956	10.5
166.07793	6.3
167.08560	12.7
168.09361	6.3
169.06468	2.7
169.10161	14.6
170.07297	2.9
170.10933	2.7
171.08075	20.7
171.11681	10.6
172.08762	3.4
173.06039	7.3
173.09615	12.3
173.13289	2.9
175.07564	15.2
175.11217	8.7
178.07841	5.4
179.08542	11.3
180.09332	5.7
181.06610	2.6
181.10133	8.4
182.07324	2.5
183.08081	7.1
183.11699	15.8
184.08810	2.1
184.14450	1.8
185.06078	3.1
185.09604	21.3
185.13330	4.6
187.07622	6.3
187.11142	15.2
189.05496	3.0
189.09094	10.8
189.12790	7.4
191.08618	5.6
191.10681	4.5
192.09383	9.5
193.10107	11.1
194.10887	4.8
195.08052	11.4
195.11761	8.0
196.08792	3.8
197.06003	4.5
197.09630	15.5
197.13356	6.2
199.07558	7.6
199.11247	8.5
199.14938	4.6
201.09135	9.8
201.12866	4.9
202.07773	4.9
203.08621	4.9
203.10736	7.0
204.09430	3.2
205.10191	9.5
206.07309	2.8
206.10893	5.7
207.08020	2.9
207.11728	8.0
208.08762	3.1
209.09650	9.3
209.13196	10.2
210.10420	5.1
211.07596	12.4
211.11176	32.2
211.14864	5.3
213.09126	17.5
213.12756	8.0
215.10660	2.2
216.09326	3.6
217.08389	2.7
217.10165	7.7
218.10867	2.6
219.08173	2.5
219.11707	10.3
220.08907	5.1
220.12454	3.8
221.09624	8.6
221.13133	9.4
222.10403	7.5
222.13905	2.3
223.07617	6.7
223.11211	7.8
224.11902	3.5
225.09137	7.4
225.12657	10.9
226.13191	2.0
227.14395	11.2
229.08400	3.1
229.10321	3.8
230.10921	6.6
231.09929	26.3
231.12125	5.0
232.08798	3.6
232.12509	3.8
233.09731	5.5
233.13387	5.6
234.10413	3.2
235.07733	2.4
235.11169	19.9
235.14767	4.1
236.11835	4.7
237.09128	5.6
237.12746	13.1
239.10736	6.1
239.14282	13.3
241.12355	7.8
242.10918	3.2
243.11787	4.1
244.12456	4.7
245.09636	4.7
245.13274	9.5
245.15486	4.8
246.10445	6.8
246.14008	4.6
247.07675	3.9
247.11188	7.4
247.14874	4.7
248.11856	3.5
249.09116	8.0
249.12796	8.3
251.10727	6.4
251.14392	4.6
253.12337	12.1
255.11653	3.8
255.13998	3.4
256.12466	5.1
257.11761	8.1
257.13712	2.7
258.13980	2.6
259.11215	7.2
259.14890	7.0
260.08566	2.3
260.12103	6.4
260.15707	2.3
261.09171	5.6
261.12814	9.8
261.16281	4.8
262.09906	3.4
262.13544	3.4
263.10678	11.3
263.14285	5.9
265.12256	10.0
267.13885	5.6
270.10358	2.7
271.11118	3.3
271.14853	7.4
271.92401	2.1
272.15643	5.4
273.09616	2.1
273.12808	5.4
273.16412	7.9
274.10104	3.6
274.13541	6.5
275.11133	9.8
275.13974	10.1
276.11328	2.3
276.14972	2.8
277.12292	8.2
277.15753	3.0
279.13913	3.5
281.11725	19.6
283.13571	2.6
285.12881	3.7
285.16260	3.7
286.13657	2.5
287.10812	2.8
287.14362	6.4
287.17841	3.9
288.15262	2.8
289.12277	14.9
289.15909	10.2
290.12915	3.0
291.13840	13.0
291.17130	4.4
293.15543	2.7
297.16263	4.0
299.14301	3.0
299.17902	3.9
300.15222	4.2
301.12283	5.7
301.15945	7.3
302.16501	2.9
303.13849	8.3
303.17291	4.0
304.14490	4.2
304.18353	3.2
305.15436	8.2
307.13367	5.3
307.17029	3.6
311.14359	2.6
313.15756	2.6
313.19342	3.9
315.13843	5.7
315.17462	7.5
316.18005	2.8
317.15417	11.7
317.19128	5.8
319.17010	6.8
321.15018	6.2
325.15781	5.4
327.17490	2.5
329.15430	3.0
329.18982	3.9
330.19687	3.3
331.17050	3.3
331.20572	4.2
333.14844	6.0
333.18637	9.4
335.16562	9.9
337.18250	2.5
343.16858	10.6
345.18509	7.8
347.16446	4.3
347.20190	4.7
357.18491	3.9
358.19269	4.2
359.20074	4.1
361.18051	19.7
362.18576	2.0
363.19434	7.9
365.21085	4.7
369.18448	3.5
375.19879	6.9
376.20358	3.6
383.23654	2.5
385.18069	3.7
387.19406	2.9
393.22238	6.3
397.21851	2.6
401.25238	3.3
411.23257	19.6
415.23132	4.3
421.21692	4.0
423.45895	2.0
429.24240	57.3
430.24646	6.8
431.26062	2.4
439.22684	34.8
440.23010	4.4
447.25113	3.2
457.23734	69.0
458.24277	8.1
475.24850	100.0
476.24982	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62786	0.2
57.85169	0.2
70.66573	0.5
79.05502	0.3
81.07033	0.2
83.91245	0.2
85.02866	0.3
92.37374	0.2
94.86771	0.2
97.13525	0.3
105.07043	0.2
119.56565	0.2
129.06912	0.2
163.13301	0.4
204.83527	0.2
263.08817	0.3
267.84500	0.2
275.07477	0.3
313.19736	2.4
317.08548	0.3
335.09308	0.3
343.17191	0.5
457.23636	0.6
475.25546	100.0
476.25864	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2516
Annotation	Val Asn Asp Lys
Peak:m/z	Relative Intensity
50.57205	0.2
51.83077	0.2
53.06639	0.2
55.42334	0.3
56.65594	0.2
61.66961	0.3
69.34045	1.9
69.36044	0.2
77.77505	0.2
101.17501	0.2
124.02610	0.3
137.05992	0.9
138.09160	0.3
151.07466	0.4
162.47903	0.2
166.08713	0.7
168.35739	0.3
175.07544	0.4
203.03503	0.6
203.05260	2.8
203.10913	0.3
232.69522	0.2
261.62210	0.3
294.06186	0.2
295.18820	9.8
296.19116	0.4
313.19879	2.2
317.08057	0.3
475.11853	3.0
475.25171	100.0
476.12405	0.3
476.25513	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51812	0.4
67.05502	0.6
68.54137	0.5
69.03434	0.5
85.02909	1.0
95.04967	0.4
97.85971	0.4
101.09622	0.5
119.08574	0.7
144.08037	0.5
147.07991	0.5
151.07513	0.6
166.08664	0.6
236.55595	0.5
273.24902	0.5
287.10974	0.9
295.18768	0.6
313.19748	2.0
335.09485	0.5
343.17252	1.2
413.99652	0.5
414.84216	0.5
475.25555	100.0
476.25708	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
53.40405	0.2
54.17393	0.2
55.05502	2.6
57.03424	1.1
57.07075	0.6
65.03929	0.6
67.05502	12.1
69.03433	1.7
69.07063	0.9
70.04808	1.0
71.04996	1.6
75.54998	0.3
79.05493	1.6
81.07055	4.3
83.04977	1.1
83.08636	0.4
85.02898	0.6
85.06541	6.5
87.04462	0.5
88.31713	0.2
88.50574	0.3
91.05481	2.0
93.07049	3.9
95.04965	0.8
95.08605	41.7
96.08939	0.9
96.37699	0.2
97.06498	0.3
97.10149	0.5
99.04453	2.8
99.08083	0.6
101.06036	0.9
103.05495	0.4
105.07032	2.9
107.04970	1.0
107.08595	2.2
108.05727	0.8
109.02879	0.4
109.06533	0.3
109.10146	3.9
111.04431	0.7
111.08056	0.9
113.06003	6.5
113.09639	3.2
115.05451	0.3
117.07009	0.5
119.04929	0.3
119.08578	1.5
120.08077	0.7
121.06470	0.7
121.10162	1.3
123.08069	17.3
123.11700	0.7
123.82056	0.3
124.08405	0.4
125.09621	0.5
129.05418	0.3
129.07013	0.4
129.09113	1.1
131.04906	0.4
131.08510	0.7
133.06432	0.3
133.10135	0.8
135.08066	2.8
135.11693	1.0
137.05991	1.5
137.09615	1.8
139.07520	0.6
141.09099	14.0
142.09395	0.5
145.10123	0.9
147.08080	0.5
147.11639	0.8
149.09618	0.7
149.13232	0.7
151.07536	100.0
152.07886	2.8
155.10718	0.4
157.08615	0.5
157.10103	0.3
159.08037	0.4
159.10199	0.6
159.11671	0.6
161.06018	0.4
161.09613	0.9
161.13295	0.6
162.06689	0.3
163.07513	1.1
163.11166	0.6
163.14793	0.4
165.09105	5.8
167.07060	0.7
169.08612	3.6
172.08824	0.3
173.09596	0.9
173.13260	0.3
175.07529	1.2
175.11171	1.1
176.08295	1.0
177.09117	4.9
179.10585	0.4
187.09657	13.1
187.11063	0.7
189.09081	3.0
189.12778	0.7
190.09833	0.6
191.10672	14.3
192.10985	0.4
193.08611	2.6
199.11165	0.3
201.11119	0.4
203.10623	1.7
205.12253	4.1
207.10023	0.3
215.10640	0.8
217.12181	0.5
223.11247	0.3
229.12111	0.4
259.16754	0.4
264.33841	0.3
275.19986	0.3
282.14963	0.6
285.18405	0.9
293.21048	2.5
303.19528	2.1
307.22641	1.1
317.21042	0.5
319.22632	0.6
325.23575	0.8
337.23709	2.1
368.06265	0.3
411.28619	1.0
429.29825	1.5
457.29260	1.2
475.17917	0.5
475.24612	0.6
475.30936	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01870	1.8
55.05510	5.7
57.03434	1.2
57.05935	0.4
57.07077	1.0
65.03940	1.3
67.05502	12.9
68.05849	0.4
69.03418	1.1
69.07071	3.4
71.04979	1.1
71.30650	0.7
77.03894	0.5
79.05486	8.0
81.03417	4.7
81.07056	14.2
81.63197	0.5
83.04985	4.2
83.08606	3.4
85.06538	1.0
91.05477	8.7
93.07040	7.7
95.04962	3.8
95.08605	10.5
97.02879	1.2
97.06515	1.3
97.10166	1.7
99.04433	0.4
99.08087	0.6
101.06036	0.7
105.04503	0.5
105.07027	5.9
106.07338	0.5
107.04945	3.2
107.08582	4.7
109.02885	0.9
109.06544	2.5
109.10149	10.4
111.04459	2.1
111.08054	1.7
113.09646	0.4
115.05443	0.8
117.07027	3.3
119.04964	0.7
119.08569	7.2
120.05704	0.4
120.08945	0.5
121.02848	0.7
121.06488	3.8
121.10133	3.1
122.07306	2.0
123.04466	0.9
123.08099	1.8
123.11712	2.2
125.02336	0.5
125.05972	0.8
125.09608	1.9
127.11201	0.4
127.75805	0.4
128.06209	1.3
129.06999	2.7
131.04927	1.4
131.08557	4.1
133.06493	2.2
133.10120	2.9
135.04424	1.0
135.08018	2.9
135.11678	2.7
137.05963	1.6
137.09612	14.8
137.13234	0.9
139.07549	1.0
141.06995	2.0
142.07768	1.2
143.08565	2.9
144.09106	0.3
145.06509	1.8
145.10132	4.4
146.07175	0.5
147.04385	0.4
147.08063	2.0
147.11708	1.9
149.05998	1.5
149.09631	3.9
149.13242	0.7
150.21524	0.4
151.07533	2.3
151.14841	0.6
153.05415	0.5
153.07048	0.7
153.09117	1.0
153.12704	0.8
154.07790	1.1
155.08563	2.0
156.09299	0.6
157.06497	1.3
157.10101	2.3
159.08057	1.8
159.11754	1.8
160.05159	0.5
161.05974	2.5
161.09621	2.2
161.13216	0.6
162.06758	0.4
163.07516	0.8
163.11171	2.3
165.09106	100.0
166.08022	0.6
166.09418	3.6
167.07007	1.3
167.08557	1.4
167.14276	0.5
168.09224	0.4
169.06502	0.4
169.10181	2.1
170.23196	0.4
171.08063	1.5
171.11656	1.6
172.08839	0.4
173.05975	1.0
173.09618	2.6
173.13240	0.7
175.07550	1.4
175.11140	1.8
177.05446	0.6
177.09143	2.7
177.12700	0.4
177.16277	0.5
178.07764	0.5
179.08546	1.6
179.10628	1.0
180.09331	0.5
181.04919	0.7
181.08582	2.0
181.10162	1.1
181.12201	0.7
183.06544	0.5
183.08070	0.7
183.11638	1.9
185.09610	0.9
185.13264	0.7
187.07507	0.6
187.11151	1.5
189.09084	2.2
189.11087	0.5
189.12750	0.6
190.09833	0.7
191.08614	0.4
191.10710	2.1
192.09332	0.7
193.10088	1.6
193.12170	1.8
194.10793	0.7
195.06548	0.6
195.08092	1.1
195.11655	1.4
197.09636	2.0
197.13243	0.8
199.07494	0.4
199.11140	1.3
201.09117	1.5
201.12753	0.9
203.08670	0.9
203.10652	2.5
205.06354	0.5
205.10289	0.7
205.12215	7.6
206.10841	0.7
207.11630	1.0
208.12434	0.4
209.08061	1.0
209.09645	1.0
209.11591	0.8
209.13335	0.7
211.11140	1.3
213.09158	0.5
213.12773	0.7
215.10634	0.6
217.10110	1.0
218.10783	0.6
219.11711	1.0
219.13702	0.5
220.08820	0.4
220.12315	0.5
221.09624	1.0
221.13200	1.1
222.10278	0.5
223.11198	0.9
225.09048	0.5
225.12712	0.9
227.10736	0.7
227.12569	2.3
229.12238	0.8
231.11552	1.1
231.13715	0.7
232.08569	0.5
232.12347	0.7
233.13309	0.9
235.11128	1.5
235.14964	0.6
237.12810	0.6
239.14301	1.0
241.12172	0.7
243.13864	0.5
244.12415	0.5
245.13239	0.5
246.10355	0.4
247.11069	0.5
247.13318	1.4
249.12782	0.6
251.10512	0.5
253.12236	0.7
255.13805	0.4
257.15356	0.9
259.11084	0.8
259.14484	0.5
261.12732	0.7
263.10831	0.6
263.14160	0.9
265.10477	1.8
267.16031	0.5
271.13348	0.6
272.11768	0.5
273.12396	0.5
275.14221	0.8
287.13974	0.5
289.14474	1.3
291.13824	0.5
293.15475	0.5
295.10751	0.4
299.17737	0.6
302.16235	0.4
305.14993	0.5
307.16611	0.6
317.15277	0.7
319.16794	0.7
319.20309	0.5
323.25769	1.0
333.18478	0.5
337.21448	0.5
347.19855	0.8
348.20648	0.5
361.18146	0.5
365.21078	2.0
383.22147	7.3
384.22339	0.9
401.23169	2.9
411.23331	0.4
415.22687	0.5
419.24246	0.6
429.16663	0.4
429.24237	2.7
429.33521	0.7
431.25125	1.1
439.22888	2.4
447.24905	1.6
457.24341	6.2
475.25177	15.1
475.34830	0.6
476.25644	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01870	1.8
55.05510	5.7
57.03434	1.2
57.05935	0.4
57.07077	1.0
65.03940	1.3
67.05502	12.9
68.05849	0.4
69.03418	1.1
69.07071	3.4
71.04979	1.1
71.30650	0.7
77.03894	0.5
79.05486	8.0
81.03417	4.7
81.07056	14.2
81.63197	0.5
83.04985	4.2
83.08606	3.4
85.06538	1.0
91.05477	8.7
93.07040	7.7
95.04962	3.8
95.08605	10.5
97.02879	1.2
97.06515	1.3
97.10166	1.7
99.04433	0.4
99.08087	0.6
101.06036	0.7
105.04503	0.5
105.07027	5.9
106.07338	0.5
107.04945	3.2
107.08582	4.7
109.02885	0.9
109.06544	2.5
109.10149	10.4
111.04459	2.1
111.08054	1.7
113.09646	0.4
115.05443	0.8
117.07027	3.3
119.04964	0.7
119.08569	7.2
120.05704	0.4
120.08945	0.5
121.02848	0.7
121.06488	3.8
121.10133	3.1
122.07306	2.0
123.04466	0.9
123.08099	1.8
123.11712	2.2
125.02336	0.5
125.05972	0.8
125.09608	1.9
127.11201	0.4
127.75805	0.4
128.06209	1.3
129.06999	2.7
131.04927	1.4
131.08557	4.1
133.06493	2.2
133.10120	2.9
135.04424	1.0
135.08018	2.9
135.11678	2.7
137.05963	1.6
137.09612	14.8
137.13234	0.9
139.07549	1.0
141.06995	2.0
142.07768	1.2
143.08565	2.9
144.09106	0.3
145.06509	1.8
145.10132	4.4
146.07175	0.5
147.04385	0.4
147.08063	2.0
147.11708	1.9
149.05998	1.5
149.09631	3.9
149.13242	0.7
150.21524	0.4
151.07533	2.3
151.14841	0.6
153.05415	0.5
153.07048	0.7
153.09117	1.0
153.12704	0.8
154.07790	1.1
155.08563	2.0
156.09299	0.6
157.06497	1.3
157.10101	2.3
159.08057	1.8
159.11754	1.8
160.05159	0.5
161.05974	2.5
161.09621	2.2
161.13216	0.6
162.06758	0.4
163.07516	0.8
163.11171	2.3
165.09106	100.0
166.08022	0.6
166.09418	3.6
167.07007	1.3
167.08557	1.4
167.14276	0.5
168.09224	0.4
169.06502	0.4
169.10181	2.1
170.23196	0.4
171.08063	1.5
171.11656	1.6
172.08839	0.4
173.05975	1.0
173.09618	2.6
173.13240	0.7
175.07550	1.4
175.11140	1.8
177.05446	0.6
177.09143	2.7
177.12700	0.4
177.16277	0.5
178.07764	0.5
179.08546	1.6
179.10628	1.0
180.09331	0.5
181.04919	0.7
181.08582	2.0
181.10162	1.1
181.12201	0.7
183.06544	0.5
183.08070	0.7
183.11638	1.9
185.09610	0.9
185.13264	0.7
187.07507	0.6
187.11151	1.5
189.09084	2.2
189.11087	0.5
189.12750	0.6
190.09833	0.7
191.08614	0.4
191.10710	2.1
192.09332	0.7
193.10088	1.6
193.12170	1.8
194.10793	0.7
195.06548	0.6
195.08092	1.1
195.11655	1.4
197.09636	2.0
197.13243	0.8
199.07494	0.4
199.11140	1.3
201.09117	1.5
201.12753	0.9
203.08670	0.9
203.10652	2.5
205.06354	0.5
205.10289	0.7
205.12215	7.6
206.10841	0.7
207.11630	1.0
208.12434	0.4
209.08061	1.0
209.09645	1.0
209.11591	0.8
209.13335	0.7
211.11140	1.3
213.09158	0.5
213.12773	0.7
215.10634	0.6
217.10110	1.0
218.10783	0.6
219.11711	1.0
219.13702	0.5
220.08820	0.4
220.12315	0.5
221.09624	1.0
221.13200	1.1
222.10278	0.5
223.11198	0.9
225.09048	0.5
225.12712	0.9
227.10736	0.7
227.12569	2.3
229.12238	0.8
231.11552	1.1
231.13715	0.7
232.08569	0.5
232.12347	0.7
233.13309	0.9
235.11128	1.5
235.14964	0.6
237.12810	0.6
239.14301	1.0
241.12172	0.7
243.13864	0.5
244.12415	0.5
245.13239	0.5
246.10355	0.4
247.11069	0.5
247.13318	1.4
249.12782	0.6
251.10512	0.5
253.12236	0.7
255.13805	0.4
257.15356	0.9
259.11084	0.8
259.14484	0.5
261.12732	0.7
263.10831	0.6
263.14160	0.9
265.10477	1.8
267.16031	0.5
271.13348	0.6
272.11768	0.5
273.12396	0.5
275.14221	0.8
287.13974	0.5
289.14474	1.3
291.13824	0.5
293.15475	0.5
295.10751	0.4
299.17737	0.6
302.16235	0.4
305.14993	0.5
307.16611	0.6
317.15277	0.7
319.16794	0.7
319.20309	0.5
323.25769	1.0
333.18478	0.5
337.21448	0.5
347.19855	0.8
348.20648	0.5
361.18146	0.5
365.21078	2.0
383.22147	7.3
384.22339	0.9
401.23169	2.9
411.23331	0.4
415.22687	0.5
419.24246	0.6
429.16663	0.4
429.24237	2.7
429.33521	0.7
431.25125	1.1
439.22888	2.4
447.24905	1.6
457.24341	6.2
475.25177	15.1
475.34830	0.6
476.25644	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.378
Annotation	Sipholenone E
Peak:m/z	Relative Intensity
55.05520	21.2
57.07059	7.6
61.32794	3.6
61.91954	2.9
63.31285	2.7
67.05505	39.9
69.07075	45.7
71.04986	6.0
79.05490	25.6
81.07059	85.7
82.07380	4.1
83.08629	18.4
85.06537	7.3
91.05482	16.9
93.07043	70.9
95.04963	5.7
95.08607	100.0
96.08936	4.9
97.06540	4.7
97.10158	7.4
99.08103	10.3
105.07030	33.1
107.08597	74.1
108.08902	3.5
109.06529	16.7
109.10157	88.7
111.08070	8.3
111.11714	6.8
113.09664	3.7
117.06951	4.7
119.08592	50.5
120.08947	4.0
121.06479	3.6
121.10153	71.9
122.10526	3.7
123.05477	3.8
123.08059	10.0
123.10893	4.6
123.11705	29.4
127.11160	9.9
129.07001	4.1
131.08545	9.7
133.10126	46.4
134.10439	6.0
135.08052	3.9
135.11696	47.8
137.09601	4.1
137.13249	11.9
143.08569	6.7
145.10110	24.3
147.11697	36.1
149.09593	8.2
149.13266	55.8
151.07465	3.8
151.11185	5.5
151.14777	4.1
157.10118	8.3
159.11722	23.5
161.09613	6.6
161.13264	29.3
163.11195	12.1
163.14798	22.8
165.09120	10.4
165.12759	4.2
169.10149	3.9
171.11653	7.8
173.13243	18.8
175.11189	7.5
175.14856	19.0
177.12776	25.6
177.16402	4.5
183.11710	4.3
185.13248	6.4
187.14859	10.6
189.12776	8.3
189.16418	11.2
191.14325	12.2
191.17976	12.0
197.13382	3.0
199.14824	7.5
201.16389	6.9
203.14360	6.1
203.17993	18.2
205.19553	35.0
207.13849	7.0
215.14258	5.2
215.17957	4.5
217.19394	5.0
219.13879	9.9
219.17264	4.7
219.21010	10.6
221.15359	7.7
233.15388	5.7
235.16907	5.1
247.17010	8.3
249.18433	3.4
261.43591	3.3
383.32941	9.3
401.34198	7.9
407.33105	11.3
425.34100	23.7
431.29404	14.9
431.34482	4.5
439.35446	6.0
443.35150	6.4
457.36465	12.2
475.27905	19.2
475.33908	28.5
476.34732	4.3
491.44684	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62386	0.6
53.03947	0.9
60.92300	0.5
70.62499	1.1
70.62817	0.6
79.05497	3.6
80.08078	0.6
95.04953	0.7
103.05478	3.0
105.07025	100.0
106.07362	3.8
107.29490	0.6
109.00385	0.6
122.09663	39.8
123.09988	2.2
150.56329	0.6
163.03952	0.9
244.18221	0.6
384.43814	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.6
53.81605	0.6
54.42279	0.5
55.01865	2.3
57.03440	4.0
61.02937	3.3
69.03427	6.7
70.61926	1.1
70.62247	0.8
71.01329	1.4
73.02916	11.8
79.05520	0.8
79.48374	0.6
81.03395	1.3
85.02903	11.5
87.04456	1.7
87.13681	0.5
93.07024	1.2
95.04958	0.6
97.02895	8.2
107.04956	100.0
108.05295	2.9
109.02872	1.0
115.03925	6.4
127.03914	2.6
131.04922	0.9
132.06615	1.0
133.04944	7.7
145.04961	4.2
147.08026	0.7
149.05989	6.2
150.07628	1.5
153.01816	1.1
163.06059	1.2
165.09117	20.4
166.09428	1.0
173.05963	1.0
185.09489	0.8
189.09148	1.9
201.09013	0.6
203.07156	1.0
207.10201	1.7
231.10277	1.4
363.14444	1.9
381.15387	1.1
432.20056	0.8
460.10037	1.1
476.18378	1.3
476.25195	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68201	0.8
53.03951	1.3
54.70271	0.8
55.01870	9.6
57.03435	23.0
59.04993	1.8
61.02925	18.7
63.77738	0.8
69.03427	38.6
69.90977	1.5
69.91384	2.6
71.01358	4.9
71.04981	2.2
72.04483	0.8
73.02915	100.0
74.79504	0.8
79.05482	1.3
81.03411	4.9
85.02902	80.6
85.89362	0.9
86.03209	1.6
87.04462	5.4
91.03972	4.5
96.04475	0.9
97.02886	57.4
98.23235	1.1
99.04436	4.9
103.03936	3.1
105.07027	10.6
109.02866	7.9
115.03924	30.3
124.05202	15.3
126.05492	1.5
127.03917	25.7
132.06587	1.3
133.04962	40.6
133.06461	8.6
134.05330	0.8
135.32248	0.9
137.05972	14.9
144.06569	2.1
145.04951	37.1
150.07613	3.4
162.07616	3.0
162.51227	0.9
163.06024	10.0
165.09109	37.8
169.04951	1.1
175.07533	1.9
177.09067	1.5
180.08644	1.7
187.07562	2.4
189.09085	3.0
193.05011	1.8
199.06026	1.6
201.09081	3.1
215.10680	1.4
217.07100	1.2
223.06006	5.2
224.42331	0.8
231.10233	1.4
241.07088	6.8
243.10182	3.2
259.08145	4.9
261.11276	2.3
277.09250	1.0
294.12067	1.0
295.10477	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01873	2.4
57.03437	3.5
61.02922	1.0
65.41807	0.3
68.33220	0.3
69.03427	5.2
70.60696	0.6
70.61028	0.6
71.01357	0.9
72.04507	0.6
73.02912	5.3
77.03898	0.3
81.03427	0.5
82.72294	0.3
85.02905	10.3
87.04463	0.7
91.03967	0.3
93.07043	0.4
95.04969	0.5
97.02888	6.3
103.03946	0.4
107.04955	100.0
108.05276	2.3
109.02883	0.6
115.03922	4.0
115.37321	0.3
116.50262	0.3
127.03919	2.8
131.04926	1.4
132.06561	0.7
133.04967	5.0
139.80602	0.3
145.04938	3.3
147.07997	0.4
147.40271	0.3
149.05992	3.2
150.07646	1.2
160.64659	0.3
163.06052	1.1
165.09120	22.4
166.09402	0.4
173.05992	1.1
189.09096	1.2
196.14796	0.3
203.07117	0.6
207.10176	0.8
223.06073	0.8
231.10216	0.7
241.07121	0.4
243.10150	0.4
259.08160	0.7
261.04291	0.3
307.28259	0.3
308.79791	0.3
444.38007	0.3
457.99799	0.3
474.55591	0.3
476.18512	0.4
476.25195	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01869	4.9
57.03439	49.1
59.04993	3.0
60.04514	2.5
61.02929	18.0
67.05527	1.0
69.03431	72.5
70.03767	1.6
71.01355	4.2
71.04980	2.5
71.30125	1.8
73.02919	100.0
75.04482	1.8
79.05493	3.0
81.03424	6.5
81.07066	3.1
83.05035	1.0
85.02906	95.0
86.03255	1.6
87.03925	1.7
87.04468	32.9
91.03956	2.9
91.05490	2.9
95.08620	1.7
96.04482	2.0
97.02895	89.4
98.03284	1.5
99.04435	5.5
103.03938	2.0
103.05538	1.5
105.07037	19.4
106.94595	1.1
107.04927	1.5
107.08625	2.3
108.08109	1.3
109.02859	8.5
109.06536	2.3
109.10104	1.2
115.03931	82.4
119.08574	5.6
123.04455	1.2
124.05218	25.4
126.05521	1.5
127.03928	23.6
129.07028	1.9
132.06602	2.6
133.04970	60.2
133.06464	14.5
137.05978	26.1
138.06364	1.5
144.06593	4.8
145.04959	28.9
145.06190	1.8
145.06575	1.3
147.08064	2.5
150.07637	8.5
151.07494	1.6
154.08632	1.6
157.06544	1.5
161.05998	1.3
162.07690	5.3
163.06044	6.8
165.09117	76.4
166.09459	2.8
167.07097	1.5
169.04805	1.2
175.07576	1.4
177.09119	2.3
180.08675	3.5
183.13832	1.6
187.07520	1.4
189.09047	3.3
193.04977	2.5
198.11392	1.8
199.07536	1.3
201.09099	3.1
204.96608	1.1
207.10202	2.7
223.06021	4.0
231.10304	2.4
241.07056	5.8
243.10138	1.5
259.08087	3.2
261.11224	3.4
277.08966	1.5
294.11679	1.6
295.10129	1.5
408.48981	1.2
458.23947	1.6
476.12387	4.6
476.24969	2.2
476.32147	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
57.03431	1.7
57.15866	1.2
67.05509	5.2
68.73830	1.4
69.03435	8.6
69.69637	6.5
79.05495	1.5
81.07034	1.6
83.04990	3.5
85.02896	9.5
87.04437	1.3
88.99798	1.3
91.05497	2.7
93.07017	2.3
95.04977	17.0
95.08620	5.5
97.02922	2.1
103.69141	1.3
105.07043	7.7
105.10408	1.6
106.39351	1.3
107.08603	3.7
108.05761	1.8
109.02869	1.5
111.04449	15.2
119.08597	5.0
121.06489	2.8
123.04454	1.8
123.08071	57.6
127.03935	1.6
128.06219	3.1
129.07002	2.2
131.08588	4.7
133.10115	2.1
135.08046	3.7
139.03877	1.6
141.06976	3.2
143.08566	5.6
144.08069	1.3
145.06517	1.4
145.10167	3.9
147.08104	2.4
150.54527	1.3
155.08568	2.5
155.62178	1.7
156.09361	20.1
157.10126	3.3
158.07230	2.5
159.08098	2.9
159.11723	5.0
161.13368	1.7
169.10172	3.7
171.11671	20.3
172.08850	2.2
173.09633	2.6
173.13275	1.8
175.07501	2.4
181.10141	2.4
184.08858	4.5
187.11227	6.8
189.12712	8.0
197.09657	6.1
199.11171	66.7
200.11565	4.8
215.10719	13.9
217.12236	42.4
218.12679	2.4
233.11707	3.0
242.05370	1.5
243.10202	4.0
248.06371	1.8
261.11215	100.0
262.11578	4.5
279.12338	11.6
280.06348	1.5
290.19089	1.6
330.66428	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.5
57.03438	29.0
57.86998	2.2
59.04998	6.8
60.04535	4.5
61.02925	6.0
62.76909	2.3
67.87016	2.0
69.03430	85.9
70.03800	2.0
70.33578	6.0
71.01395	2.5
73.02917	9.3
75.04509	2.5
82.95857	2.1
83.04983	6.2
85.02905	69.6
86.91886	2.3
87.04469	65.1
91.03957	2.2
97.02892	75.7
98.23293	2.4
99.04478	3.6
103.03973	2.4
105.07024	20.6
115.03928	100.0
116.04282	2.4
119.08588	6.7
127.03940	7.9
133.04965	98.7
133.06467	21.4
134.05328	2.4
137.05983	37.3
138.06279	3.1
140.09209	2.0
144.06580	2.8
145.04950	10.2
145.06537	3.0
150.07599	13.0
151.02061	2.2
151.07594	3.4
163.06111	2.8
165.09120	67.8
166.09546	2.7
175.07607	2.5
177.09155	4.9
189.09114	6.8
190.11911	2.1
207.10210	6.5
231.10213	2.6
241.07095	2.3
259.08081	3.0
398.48737	2.4
446.11981	2.6
476.32501	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	10.8
57.03444	17.2
59.05006	1.5
61.02926	7.2
61.50185	1.6
67.05502	3.2
69.03436	22.1
71.01335	4.3
71.04995	6.1
73.02920	21.9
79.05502	7.6
81.03426	3.6
81.07050	3.7
85.02908	50.9
87.04472	3.7
91.05488	3.9
95.08597	4.3
97.02903	38.4
99.04476	2.5
103.03986	1.6
105.07029	4.3
115.03922	18.1
123.04446	26.1
123.08036	3.5
123.11714	2.8
127.03935	13.4
129.05569	1.5
129.06964	2.2
133.04994	23.2
133.10115	5.8
137.05969	3.7
138.06320	1.7
145.04974	18.0
147.08057	14.4
147.11751	2.6
151.07544	21.2
163.06006	3.8
165.09122	100.0
166.09500	3.8
175.11201	1.6
191.10680	3.9
205.12350	2.6
223.05945	1.7
241.07156	2.2
265.08456	1.7
318.69757	1.7
351.66125	1.6
426.69357	1.7
428.72467	1.8
458.23462	1.5
476.25183	2.7
476.31854	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
53.47223	0.6
55.05500	1.8
57.03440	11.6
59.04998	1.1
59.11338	0.6
61.00529	0.6
61.02927	1.4
65.11591	0.7
67.05486	0.7
69.03416	2.3
71.01337	0.8
71.04993	78.3
71.31570	1.1
72.05309	1.2
73.02915	2.3
75.04462	4.8
79.05499	1.0
81.03393	0.9
81.07068	1.6
82.10538	0.6
83.04978	7.8
83.08639	0.6
85.02905	100.0
86.03244	1.0
87.04467	2.4
91.05481	1.5
93.07043	0.9
95.08599	1.0
96.11630	0.6
97.02917	4.2
99.04474	1.6
101.06026	0.7
103.03925	1.7
105.07031	1.6
109.06512	4.7
110.59093	0.7
111.04420	4.5
115.03948	1.0
119.08584	1.1
127.03921	2.3
129.05479	40.1
133.06458	0.9
133.10094	3.4
137.05997	2.5
145.04982	2.6
146.08151	1.4
147.06520	20.9
147.11693	1.3
149.05968	0.9
151.03931	0.8
151.07529	6.5
151.11214	4.1
152.07973	0.8
153.07124	0.6
163.11194	1.8
164.09193	7.3
165.09218	0.7
175.07607	2.1
176.08037	0.6
177.09155	1.2
180.08772	1.1
187.11244	1.0
191.10661	1.1
217.12289	1.3
255.08629	1.4
270.35471	0.8
285.11298	1.2
297.11145	1.3
313.25342	0.6
331.36978	0.7
476.32855	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.05516	1.9
55.33134	0.4
57.03434	9.6
57.67860	0.4
59.05004	0.5
61.02952	1.0
69.03419	2.3
70.51574	0.4
71.01358	1.4
71.04990	74.4
72.05336	0.9
73.02908	2.2
75.04491	5.0
81.03436	1.2
83.04987	8.5
85.02903	100.0
86.03242	1.5
87.04470	1.6
91.03978	0.6
97.02892	3.9
99.04446	2.1
101.05956	0.5
103.03920	1.1
105.07024	19.4
109.02879	1.1
111.04446	6.2
127.03915	4.1
129.05476	41.9
130.05809	0.9
133.10127	23.7
134.10397	0.7
145.04970	4.0
145.10110	1.2
146.08130	1.5
147.06516	23.4
148.06888	0.5
157.08833	0.5
157.10115	1.3
161.09601	0.8
163.06056	1.2
164.09177	5.4
164.95808	0.4
175.11180	1.7
207.62660	0.5
229.12968	0.7
237.07651	0.7
243.13780	1.9
255.08620	2.4
261.59540	0.5
273.09753	0.9
281.19843	0.4
309.11728	0.6
451.89575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01878	1.0
55.05271	0.6
55.05514	7.4
57.03437	7.6
57.07063	1.6
59.45692	0.5
62.06079	0.7
65.03934	2.1
67.05505	35.8
69.07063	6.1
69.08998	0.5
69.09307	4.6
70.39700	0.6
71.04996	0.8
71.08616	0.5
77.03893	0.5
79.05492	18.7
80.05825	0.7
81.03403	0.8
81.07056	30.5
82.07424	0.6
83.04973	2.0
83.08629	2.8
85.06538	0.8
91.05477	10.7
93.07040	22.4
94.07370	1.0
95.04961	2.1
95.08606	23.2
97.06504	1.7
97.10168	2.0
99.08112	0.5
105.04515	0.8
105.07027	6.8
107.04940	0.7
107.08588	11.2
109.06525	1.5
109.10146	7.2
111.08060	0.8
115.05378	0.7
115.67519	0.5
117.07012	4.0
119.08581	5.0
121.06476	1.0
121.10135	7.4
123.08025	0.7
123.11700	3.4
128.06192	0.6
129.05507	0.7
129.06996	0.7
131.08565	5.8
133.10114	3.4
135.08060	0.8
135.11671	5.8
137.05960	1.0
137.13249	1.2
143.08600	0.9
145.10107	3.6
147.11707	2.1
149.13310	2.8
157.10152	1.5
159.11659	2.9
161.13274	1.8
163.14836	1.5
167.08565	0.6
169.10086	1.1
171.11612	0.9
173.13260	2.1
177.16394	0.8
179.08443	0.8
187.14824	1.3
198.05278	0.6
205.15904	0.6
216.06419	1.0
243.21077	1.8
247.11160	0.8
247.14943	0.6
261.22141	2.5
267.71893	0.6
304.26282	1.2
317.24850	1.9
334.73880	0.6
335.25784	100.0
336.26141	6.6
337.18115	0.7
345.18665	0.6
371.16144	0.6
394.38196	0.5
441.24063	0.9
459.25195	2.3
477.26080	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62358	0.2
51.02367	0.3
51.36633	0.2
52.45262	0.2
53.03951	1.1
55.01868	0.4
55.05513	8.0
57.03156	0.4
57.03439	7.8
57.07085	0.8
62.06097	0.4
65.03930	1.5
67.05503	31.3
68.05846	0.5
69.03426	0.3
69.07066	7.5
69.67703	1.0
71.04987	0.7
71.97245	0.2
79.05492	16.8
80.05824	0.5
81.03442	0.3
81.07055	25.8
82.07362	0.5
83.04989	1.0
83.08620	2.8
83.65192	0.3
85.06556	0.8
87.06372	0.2
91.05479	7.5
93.07045	18.2
94.07388	0.4
95.04964	1.5
95.08605	20.9
96.08918	0.5
97.06529	1.0
97.10177	0.9
98.06084	0.4
98.22589	0.3
98.98474	0.8
103.05468	0.3
105.03383	0.6
105.04516	0.5
105.07024	4.7
107.08595	7.9
109.06515	0.9
109.10150	7.3
111.08094	0.7
117.07038	1.4
119.08581	3.2
120.08925	0.2
121.10139	5.9
123.08105	0.5
123.11725	1.6
124.01590	0.6
125.09618	0.2
131.08562	2.6
133.10124	2.2
135.08073	0.3
135.11690	3.2
137.09637	0.3
137.13240	0.6
145.10143	1.9
147.11687	1.1
149.09665	0.2
149.13280	1.5
158.58904	0.2
159.11702	0.9
161.13214	1.1
163.14799	0.4
173.13239	0.7
175.14885	0.4
179.14261	0.3
198.05276	0.5
216.06326	0.7
244.96046	0.2
261.22110	0.7
287.35834	0.3
304.26334	2.4
335.25784	100.0
336.26154	7.9
407.38824	0.2
476.25937	0.3
477.19394	0.4
477.26068	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01868	1.7
55.05518	11.9
55.46031	1.4
57.03426	5.1
57.07072	1.2
62.05793	2.0
62.06093	35.0
65.03922	1.6
67.05503	36.8
69.07072	10.6
71.04974	1.4
76.53941	1.2
79.05493	25.9
81.07056	30.9
83.04978	3.5
83.08620	5.1
91.05476	13.1
93.07035	26.2
95.04942	3.4
95.08606	25.3
97.06567	1.6
98.06054	2.4
98.98462	15.3
105.03394	12.0
105.07021	10.6
106.03693	1.8
107.08618	12.5
109.10147	10.7
111.07981	1.5
117.07046	2.5
119.08570	10.3
121.10134	9.0
123.11692	1.6
124.01569	3.1
131.08577	4.8
133.10126	6.7
135.11697	5.1
137.13194	1.5
142.07750	1.8
145.10130	4.5
147.11691	4.1
149.13254	1.6
155.01080	3.5
157.10088	2.0
159.11739	3.1
159.66855	1.3
161.13254	4.6
166.09337	1.2
173.02071	3.4
173.13326	1.7
187.14874	1.7
189.09053	1.6
198.05315	3.0
207.11655	1.6
216.06349	4.2
243.21144	1.7
258.14120	1.7
261.22131	6.7
304.26300	38.9
305.26630	3.0
317.24863	1.9
335.25797	100.0
336.26086	6.6
458.26617	1.7
476.25546	5.0
477.26367	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
70.38518	1.8
73.06571	0.8
75.29005	0.5
87.04473	7.5
87.58143	0.6
89.06035	100.0
90.06383	1.7
91.07562	0.8
105.07070	0.6
107.07045	1.4
113.38310	0.5
117.07063	0.7
117.09158	0.6
121.84033	0.5
123.04446	0.7
131.07025	2.9
133.08609	57.2
134.08936	1.5
166.66129	0.6
175.09624	1.0
177.11226	22.1
178.11536	0.7
181.08585	1.6
200.43285	0.6
221.13910	3.6
239.14856	0.6
265.16568	0.8
268.18881	0.6
279.12387	0.9
283.17419	0.9
327.20026	1.3
349.10992	1.0
371.22592	0.8
415.25534	1.0
459.27942	7.4
460.28320	1.2
476.19827	1.8
476.25659	12.6
477.19440	8.3
477.25925	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.373
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89488	3.5
55.05508	13.3
57.07073	9.5
67.05506	21.9
69.07059	17.9
71.04992	9.3
71.08630	4.0
79.05481	12.8
80.07286	4.2
81.07061	38.3
83.04992	13.2
83.08637	7.4
91.05474	15.6
91.67709	4.6
93.07047	21.8
95.08603	36.0
97.10171	4.8
98.22561	8.7
98.23248	14.2
105.07029	18.0
105.07668	3.9
107.08591	13.1
109.06472	6.1
109.10160	19.3
111.04440	7.2
111.08079	4.2
114.85658	4.3
119.08603	13.2
121.06505	7.7
121.10161	9.5
123.08022	4.3
123.11694	10.7
129.06972	5.6
131.08543	5.0
133.10153	10.7
135.08064	8.3
135.11621	4.7
137.05963	12.1
137.13297	8.1
139.07561	5.5
142.07790	4.0
143.08502	6.7
145.06480	4.2
147.11684	7.8
149.05983	11.4
149.09610	5.2
151.07538	39.9
155.08572	6.6
156.09264	4.3
157.10110	7.9
159.08031	5.4
159.11644	4.5
161.05969	6.5
161.09561	4.2
163.82913	5.0
165.05458	12.8
165.09122	8.1
167.07051	100.0
168.07404	5.0
169.10130	6.0
171.11595	5.4
173.09628	4.8
175.07607	6.5
175.11205	9.7
177.09019	5.3
177.16397	4.0
181.10164	4.4
185.09506	5.0
187.11192	5.2
189.09079	21.5
193.10179	5.9
195.11604	4.5
203.10663	14.0
207.10124	6.4
207.11946	5.9
209.13226	5.6
215.14110	4.4
217.12112	6.1
221.13414	6.6
237.12685	5.2
251.04626	7.4
252.04990	9.8
259.14841	5.3
307.10980	6.9
308.11191	7.1
364.17758	12.3
375.16168	4.2
401.86057	4.0
413.24655	5.5
427.32132	32.6
428.32791	4.4
431.25940	10.0
441.24588	5.9
445.33139	79.7
446.33633	6.5
459.25266	25.6
476.24463	4.3
477.26425	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	10.0
57.07082	9.4
67.01843	7.5
67.05513	21.9
67.18456	8.2
69.07072	22.4
74.24419	6.8
79.05511	11.1
81.07056	56.9
88.07526	7.5
91.05479	12.2
93.07058	19.1
95.08601	54.1
97.10184	7.9
98.22626	26.5
98.23360	26.3
99.38194	8.1
105.07039	20.4
107.08595	18.3
109.10148	18.4
111.08026	7.3
111.11721	9.1
117.06990	9.4
119.08594	25.8
121.10162	16.8
123.11713	22.4
133.10156	22.7
135.11650	8.9
137.06027	13.4
143.08621	12.0
145.10191	12.5
145.90675	7.2
147.08084	7.5
147.11694	15.3
151.07562	44.5
156.09337	8.1
157.10120	20.7
159.11653	8.2
161.13370	8.3
165.09172	13.3
167.07024	100.0
183.11662	9.3
185.09657	7.6
226.11093	7.6
427.31885	27.7
431.63397	7.8
445.33020	76.9
446.33038	8.9
459.25223	24.2
476.36392	31.3
477.26212	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03350	30.4
54.46803	46.5
77.48473	33.3
98.22542	68.1
105.14250	33.1
120.15504	36.3
167.07013	64.3
169.36345	38.0
193.08492	39.4
203.44070	41.9
207.10297	39.0
242.21854	39.9
339.09048	37.2
431.35086	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.8
51.02378	1.7
53.03947	5.9
55.01865	0.4
55.05520	0.1
63.81823	0.1
67.05466	0.1
69.37583	0.6
73.06544	0.2
75.04470	0.1
77.03929	1.9
79.05463	0.2
81.03411	1.0
81.84107	0.1
84.29138	0.1
91.05469	0.2
93.07044	0.1
95.04969	8.8
95.08617	0.1
96.05278	0.2
101.64580	0.1
105.03392	100.0
105.04530	4.2
106.03726	2.6
111.08126	0.1
117.07018	0.2
118.06527	0.2
119.08575	0.2
135.04402	0.1
142.07773	0.1
143.08615	0.2
147.04440	0.2
147.11717	0.1
157.10153	0.2
165.07051	0.3
167.07057	0.2
169.10054	0.1
173.09639	0.2
175.03925	0.2
175.11023	0.1
181.04982	0.3
184.77133	0.1
189.12634	0.1
195.06508	1.6
195.08095	0.2
201.05440	0.1
211.07594	0.1
212.04738	0.1
222.06770	0.5
222.10147	0.1
223.07541	0.3
233.06004	0.2
237.05423	0.2
237.09143	0.5
238.06227	0.2
239.06984	0.2
249.05576	0.2
249.08496	0.1
251.03424	0.5
251.07072	0.4
252.04103	0.2
252.07880	0.2
253.08673	0.4
262.06238	0.2
263.07098	0.4
264.07761	0.2
265.05081	1.0
265.08313	0.6
266.05731	0.4
266.08606	0.1
267.06564	0.2
267.10178	0.1
271.09576	0.5
277.08466	0.3
279.02917	0.1
279.06412	0.2
280.03879	0.2
280.07254	1.9
281.08069	0.5
283.06033	0.2
283.09521	0.1
291.06595	0.2
292.06821	0.1
293.04657	0.3
293.08051	0.4
294.05286	1.1
294.08560	0.2
295.06290	0.2
295.09631	1.9
296.10291	0.3
297.07693	0.3
297.11142	0.3
298.04895	0.2
299.09140	2.4
305.08124	0.7
307.09598	0.2
308.06934	0.4
309.07364	0.5
311.05591	0.1
311.09091	0.4
312.09756	0.2
313.07166	0.4
313.10718	0.3
323.09134	2.9
324.09802	0.9
325.10654	0.2
326.07928	0.3
327.12338	0.9
328.12460	0.1
337.10800	0.2
340.09479	0.3
341.10303	0.2
355.11731	0.8
431.25964	0.2
459.25320	0.2
477.26334	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.9
51.02382	1.7
51.77802	0.1
53.00296	0.1
53.03947	6.5
54.04274	0.2
55.01866	0.5
55.05509	1.4
67.05511	0.3
69.42553	0.6
69.79663	0.1
75.04475	0.3
77.03185	0.1
77.03924	1.8
79.05495	0.4
81.03423	1.0
81.07050	0.4
83.04988	1.9
91.05481	0.4
93.07063	0.4
95.04971	9.2
95.08602	0.4
96.05258	0.2
100.26553	0.2
105.03393	100.0
105.04530	4.9
105.07017	0.5
106.03714	2.2
107.08572	0.2
111.04443	0.2
111.08125	0.2
111.51425	0.1
111.71960	0.1
117.06998	0.1
119.08557	0.3
121.06486	0.2
128.06236	0.2
129.06993	0.2
133.06543	0.2
133.10127	0.3
135.08057	1.8
143.08536	0.3
145.10143	0.3
147.04370	0.2
152.04707	0.2
153.06926	0.2
155.08580	0.2
157.10159	0.3
159.08055	0.2
159.11748	0.2
163.03943	0.2
165.07011	0.3
167.07187	0.1
167.08583	0.1
169.10149	0.2
171.11690	0.3
175.03967	0.2
175.07509	0.1
179.08711	0.1
181.04977	0.2
194.07373	0.2
195.06541	1.6
195.08115	0.3
195.11603	0.2
196.08824	0.2
197.09599	0.2
197.13356	0.2
205.06519	0.3
207.11673	0.2
209.09633	0.3
211.07530	0.2
211.11234	0.2
221.13316	0.2
222.06729	0.6
223.07544	0.3
223.14738	0.1
225.05516	0.1
225.12625	0.2
233.08075	0.2
233.13252	0.2
235.07532	0.2
237.05475	0.3
237.09134	0.5
238.09607	0.2
239.07039	0.3
243.11333	0.1
247.14813	0.2
249.05441	0.3
249.16153	0.2
250.06195	0.2
251.03368	0.3
251.07068	0.5
252.03928	0.2
252.07889	0.3
253.08624	0.5
263.06967	0.4
264.07748	0.2
265.04987	1.1
265.08371	0.6
266.05783	0.4
267.06577	0.3
271.09662	0.5
277.08594	0.4
279.06448	0.4
280.04065	0.1
280.07269	1.7
281.08060	0.5
283.05939	0.2
283.09473	0.2
292.07321	0.2
293.04550	0.3
293.08075	0.4
294.05255	0.9
294.08493	0.3
295.06351	0.2
295.09583	1.9
296.10303	0.3
297.07736	0.3
297.11053	0.3
298.08163	0.2
299.09097	1.8
305.08142	0.8
306.08820	0.2
307.09567	0.1
308.06790	0.4
309.07617	0.4
311.09125	0.3
312.09894	0.2
313.07327	0.2
313.10318	0.3
317.36926	0.1
323.09097	2.4
324.09848	1.0
325.10577	0.4
326.07773	0.2
327.12411	0.7
337.10635	0.3
355.11664	0.7
441.24185	0.2
459.25153	0.5
477.26004	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79395	2.1
55.01867	3.2
57.03434	9.4
61.02928	2.6
68.76819	2.2
69.03441	3.6
69.18078	11.4
69.18501	7.7
70.59534	2.3
71.01324	2.2
71.04993	69.5
73.02923	15.5
74.03241	2.6
75.03444	2.5
75.04491	3.8
79.05504	3.1
80.09164	2.3
83.04995	5.4
85.02901	94.2
86.03232	3.0
87.04476	4.6
91.05476	18.9
91.62738	2.2
94.04197	3.0
95.04973	3.2
97.02897	10.1
98.23357	4.9
99.04498	2.7
103.05474	3.0
105.07044	2.8
107.04926	4.0
108.07792	2.5
115.03880	3.5
115.05434	5.2
117.43496	2.3
119.04924	12.5
121.06497	6.1
122.03660	8.2
127.03875	2.7
129.05489	20.0
129.07016	11.2
131.04901	3.9
133.04938	3.8
135.08067	4.9
137.05980	100.0
137.07056	5.6
138.06465	3.0
139.21800	2.6
143.04901	3.0
145.04979	5.6
145.06454	3.2
147.06569	2.8
149.05957	5.7
151.07538	71.8
157.06508	8.7
161.05995	7.8
163.07544	14.9
165.07001	5.4
165.09122	6.6
166.09447	5.0
167.08571	8.9
171.08086	4.1
174.06783	6.3
175.07516	19.8
177.05481	5.1
177.09132	4.8
178.07695	3.0
187.07538	4.1
189.09122	27.7
193.06398	3.4
193.10132	3.5
195.08072	10.7
195.10141	7.2
201.08998	3.8
211.07448	3.0
219.10135	4.3
221.05922	4.5
221.09663	4.5
223.07585	7.8
224.08214	3.1
225.09068	4.7
227.10605	16.7
238.06210	3.5
247.07358	2.9
253.08636	4.4
253.12282	7.0
255.10136	15.6
281.11630	3.4
285.11246	11.3
287.12753	25.5
304.14096	2.6
309.10941	3.0
311.12851	4.4
313.14243	19.9
317.11740	4.0
323.12680	5.6
331.15369	11.8
335.12637	3.6
337.14249	3.5
343.15189	4.0
349.14371	3.5
355.15338	5.7
357.16858	3.0
367.15540	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2637
Annotation	Calofloride
Peak:m/z	Relative Intensity
55.01876	2.1
55.05514	13.1
55.52200	1.8
57.03441	1.7
59.03069	2.3
59.92273	1.7
65.03950	1.7
67.05499	19.1
69.03433	4.3
69.07095	4.5
69.35658	10.4
71.04993	2.8
79.05499	16.7
81.03420	2.3
81.07057	19.3
83.04990	27.3
83.08607	3.1
84.07229	2.0
91.05482	34.6
93.07053	32.7
95.04982	8.1
95.07661	2.1
95.08602	30.4
97.06512	4.6
98.23317	3.7
103.05491	3.3
105.07036	34.7
107.04970	3.3
107.08596	19.3
109.06525	7.5
109.10155	5.1
111.04449	12.9
111.08078	7.4
115.05446	5.5
117.07010	17.8
119.04944	2.5
119.08585	90.9
120.08885	2.4
121.06506	8.1
121.10136	13.8
123.08064	6.8
128.06218	11.6
129.07016	11.7
130.07811	3.9
131.04935	2.8
131.08571	20.4
133.06491	5.5
133.10150	24.5
135.08018	10.3
137.06017	12.7
139.07558	5.4
141.06992	6.4
141.09131	2.4
142.07782	7.7
143.08575	26.1
144.09309	4.3
145.06543	9.0
145.10149	35.5
146.07327	2.2
147.08015	11.0
147.11673	19.7
149.09602	2.8
149.13264	2.6
153.07014	5.0
154.07689	1.9
155.06065	2.3
155.08543	10.8
156.09341	6.3
157.06450	4.5
157.10132	22.6
158.07286	3.2
158.10748	2.1
159.08072	11.8
159.11691	26.0
160.12494	16.9
161.05974	5.8
161.09647	6.0
161.13263	5.4
165.07033	5.6
166.07822	3.1
167.08551	4.5
168.09436	2.2
169.10118	10.6
170.60742	2.2
171.08072	10.0
171.11699	15.1
173.09616	18.8
173.13271	4.9
175.07564	3.6
175.11157	5.1
177.90915	1.8
179.08612	3.5
180.09444	3.4
181.10164	8.1
182.10939	2.2
183.08041	4.7
183.11711	8.0
184.08904	2.8
185.09621	12.8
185.13243	13.1
187.11205	7.9
189.09167	3.2
189.12799	2.8
192.09412	3.5
193.10159	10.0
194.10844	3.2
195.08069	4.1
195.11670	5.8
197.09677	8.3
197.13248	4.7
198.16475	2.1
199.11166	13.7
199.14771	2.8
201.09106	3.6
201.12724	5.3
202.07654	2.6
203.08566	4.2
203.10768	2.8
205.10139	2.5
207.11656	7.4
208.12288	2.4
209.09647	3.8
209.13242	5.2
211.11252	9.2
211.14955	2.8
213.09079	3.4
213.12733	8.0
213.16432	7.2
215.10747	4.6
217.12277	2.5
219.11703	6.2
220.12494	2.7
221.09581	3.4
221.13255	3.6
222.10394	2.9
223.11208	4.7
223.14871	3.6
225.12796	6.0
227.10699	4.4
227.14354	4.2
231.11832	2.7
232.12428	2.6
233.13255	4.6
235.11179	4.6
236.11798	2.8
237.12752	5.6
239.14305	4.5
241.15930	9.8
243.11691	3.8
244.12378	3.8
247.11174	3.4
247.14818	4.2
249.12775	5.0
249.16386	4.1
251.10606	2.9
251.14243	4.3
253.12280	2.3
253.15921	2.3
258.13882	3.0
259.14398	2.6
259.16965	34.8
261.12720	3.3
262.13492	2.1
263.14182	3.4
265.12314	4.6
265.15875	2.2
273.16608	2.7
273.62811	2.1
274.13733	2.3
275.14331	2.7
275.18094	2.5
276.14917	2.2
277.12311	2.4
277.15860	6.1
279.13889	2.9
287.14194	3.0
291.17422	7.2
293.15689	2.4
293.18921	4.9
301.15829	4.3
305.15280	2.5
308.90134	2.3
317.18863	3.5
319.16818	7.1
319.20230	3.3
331.20895	2.3
337.18045	4.0
339.19571	2.7
345.18649	2.6
363.19821	3.3
367.23071	2.9
385.24072	2.9
399.23419	2.5
401.21442	2.2
413.24844	7.1
415.26657	2.4
417.24173	6.0
423.23489	4.3
431.25937	14.8
432.26370	2.9
433.27435	55.3
434.27802	6.0
441.24042	10.5
442.24646	2.9
449.26880	4.0
459.25320	51.0
460.25458	4.7
477.26370	100.0
478.26544	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.2
55.05507	7.3
57.17787	1.9
64.31356	1.9
67.05517	15.8
69.03423	3.6
69.07072	3.0
69.35979	3.3
69.36386	8.1
79.05492	8.2
81.07041	10.9
83.04983	11.3
91.05495	19.2
93.07049	20.1
94.17768	2.0
95.04960	5.3
95.08601	26.4
97.06532	3.0
98.22616	3.7
105.07027	22.3
107.08606	14.6
109.06509	3.6
109.10168	7.2
111.04454	5.5
111.08092	7.1
115.05478	3.0
117.07040	8.7
119.08567	19.8
121.06514	5.4
121.10141	8.4
123.08051	9.8
123.97504	1.9
128.06216	7.1
129.07031	9.4
131.08548	10.5
133.06476	3.5
133.10120	12.9
135.08061	6.5
135.11691	3.8
141.07002	6.3
142.07787	6.6
143.08562	12.7
145.06558	2.8
145.10110	10.8
147.07054	2.5
147.08002	10.5
147.11716	5.9
149.06026	2.6
149.09645	3.0
153.07033	3.1
154.07733	2.8
155.08549	14.5
156.09247	2.8
157.06427	3.6
157.10127	14.9
159.08089	6.1
159.11690	6.4
161.09598	8.6
161.13258	1.9
163.11124	3.0
165.06981	4.3
167.08572	8.3
168.09285	2.2
169.10155	8.5
170.10921	3.0
171.08063	11.8
171.11696	6.9
173.06050	4.4
173.09651	4.3
175.07484	11.2
175.11174	5.9
178.07741	3.8
179.08571	8.7
180.09375	4.1
181.06520	2.3
181.10091	5.9
183.08083	5.9
183.11691	5.5
185.05946	2.7
185.09613	6.4
185.13338	3.2
187.07568	5.4
187.11256	5.4
189.09123	3.6
189.12732	3.6
192.09277	3.3
193.10178	12.9
194.10930	4.4
195.08098	6.2
195.11740	6.2
196.12538	2.3
197.06297	2.5
197.09644	7.0
197.13283	4.4
199.07545	5.5
199.11252	5.8
201.09096	5.6
203.10712	2.1
204.09360	3.0
205.10081	5.7
206.10893	4.4
207.11772	12.0
208.08928	2.2
209.09703	8.6
209.13254	13.8
210.10454	2.8
211.07558	8.6
211.11195	8.1
213.09151	6.4
213.12773	4.9
215.08629	3.1
215.10596	2.8
216.09378	2.9
217.10263	3.4
218.81216	1.9
219.08130	2.4
219.11725	8.0
220.08894	2.3
220.12392	4.2
221.09660	8.5
221.13264	8.3
222.10410	9.7
223.07558	4.7
223.11183	11.8
223.14667	2.4
224.11884	2.5
225.09123	4.9
225.12766	5.3
227.10722	2.1
227.14342	2.7
229.15895	2.4
230.10854	2.1
231.11789	4.7
232.12401	2.0
233.09695	2.5
233.13303	8.5
234.10367	3.7
235.11182	15.1
235.14838	6.2
236.11795	3.0
237.09100	4.5
237.12723	28.0
237.16449	2.5
238.13486	4.7
239.10695	6.2
241.12344	2.8
243.11691	2.2
245.13303	4.6
246.10497	4.0
246.13965	2.1
247.11192	7.5
247.14844	3.0
248.11969	3.3
249.09114	4.5
249.12775	6.5
251.10707	4.8
251.14314	4.3
253.12242	10.4
255.13797	10.5
257.11630	2.6
258.13855	2.4
259.11179	2.5
259.14856	4.8
261.09061	3.3
261.12836	8.0
261.16470	4.5
262.13559	2.1
263.10742	3.5
263.14307	8.9
263.17706	2.2
265.09619	3.0
265.12286	18.6
265.15982	3.0
267.13861	3.0
271.13080	2.8
273.12903	2.5
273.16443	5.6
275.14285	6.5
275.17841	4.0
276.14886	2.5
277.12299	5.8
277.15894	6.0
279.13742	5.7
281.11749	12.2
281.15051	3.0
283.13245	15.5
290.16742	2.2
291.14023	4.0
291.17432	10.7
293.15411	5.3
297.15036	2.4
301.15936	4.5
303.13831	3.2
303.17368	2.9
305.15311	6.0
305.18793	2.3
307.16986	5.7
309.15021	4.0
309.18362	2.9
317.15533	3.2
317.18970	3.7
318.16101	2.5
319.16968	10.4
321.15048	2.9
321.18533	4.6
323.16675	2.5
331.17084	3.8
331.20773	2.4
333.18924	2.1
335.16513	5.1
335.20023	4.7
337.17899	9.9
342.84009	2.2
345.18533	8.2
349.21631	2.4
363.19589	13.6
369.18036	2.5
395.23364	2.7
413.24573	12.7
423.23166	2.6
431.25864	36.7
432.26135	5.1
433.27444	7.9
441.24237	26.5
442.24509	3.7
459.25360	41.6
460.25528	5.0
477.26340	100.0
478.26514	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.2
55.05510	20.0
55.85353	4.1
67.05502	24.0
69.03425	4.3
69.07065	6.2
69.08128	32.6
78.73705	3.4
79.05495	18.7
81.03400	4.4
81.07050	37.4
83.04982	47.9
86.65836	3.1
91.05481	34.9
93.07038	39.5
95.04974	15.9
95.08607	49.9
97.06528	4.2
99.90513	3.2
105.03387	16.6
105.07034	39.0
106.43674	3.5
107.08606	17.4
109.06530	18.0
109.10135	6.2
111.04456	21.0
111.05095	3.5
111.08081	19.6
113.06088	3.2
115.05476	5.6
117.07047	20.8
119.04922	3.4
119.08566	46.8
121.06496	20.6
121.10114	9.4
123.08072	9.8
128.06197	10.6
129.06964	10.8
131.04903	3.9
131.08582	23.9
133.06465	7.8
133.10106	26.1
135.08037	14.6
137.05951	23.9
139.07552	11.1
141.07010	8.5
142.07773	12.8
143.08588	22.9
144.09306	4.8
145.06432	7.3
145.10109	22.2
147.08049	8.6
147.11723	8.6
149.09645	7.0
153.07007	7.7
154.07811	11.4
155.08521	23.6
156.09348	14.3
157.10124	23.9
159.08000	6.4
159.11699	13.2
161.09599	10.2
165.06987	11.4
166.07809	4.0
167.08569	12.5
168.09314	5.9
169.10156	34.0
170.10986	4.4
171.08046	6.9
171.11627	18.8
173.09605	15.3
173.13293	7.0
175.11136	4.7
178.07794	4.0
179.08572	21.5
180.09282	11.0
181.06459	4.4
181.10167	20.2
182.07182	4.4
182.10844	7.0
183.08038	5.6
183.11674	14.6
185.09616	11.4
185.13266	7.0
187.11131	20.0
188.11836	4.5
191.08574	6.3
192.09436	8.0
193.10152	21.8
194.10864	13.0
195.08069	7.7
195.11703	19.6
197.09610	26.9
197.13197	17.3
198.98216	3.7
199.11183	9.9
199.14798	5.3
201.12842	4.3
202.07712	4.4
203.08507	11.1
204.09337	6.5
205.10085	10.0
206.10956	11.1
207.11690	28.7
208.12421	4.5
209.09673	7.7
209.13228	19.9
211.11197	10.8
211.14799	5.6
213.09079	5.5
213.12680	7.2
215.10655	35.3
217.10117	11.2
218.10736	7.8
219.11649	14.7
220.12424	5.2
221.09552	6.6
221.13223	19.5
223.11179	12.0
223.14830	7.8
224.11946	5.2
225.12744	14.5
227.10646	5.1
227.14320	8.9
229.10228	8.2
230.10887	6.5
231.11629	14.7
232.12524	6.1
233.09648	6.7
233.13394	18.3
234.13861	4.7
235.11058	8.3
235.14850	12.6
236.12022	4.5
237.12769	10.0
239.10638	5.4
239.14340	8.2
241.12251	4.7
242.10864	4.7
243.11681	10.4
244.12465	9.6
245.09579	5.9
245.13179	13.8
245.15350	7.9
246.14050	5.0
247.11185	10.2
247.14812	14.0
248.15422	3.8
249.12807	9.3
249.16335	16.7
250.16985	3.6
251.14388	10.0
253.12296	6.7
257.13229	6.7
257.15598	4.8
258.10144	3.8
258.13980	7.2
259.11209	4.8
259.14835	15.5
260.11862	6.9
261.12711	13.3
261.16260	9.4
262.13541	7.5
263.10474	4.2
263.14301	9.9
263.17911	6.8
265.12213	8.5
265.15918	5.5
267.13937	4.5
269.13208	6.2
270.14066	5.8
271.14780	8.3
272.15427	5.4
273.12665	7.3
273.16306	12.5
274.17023	4.5
275.14325	18.2
275.17911	10.1
277.12503	6.5
277.15842	15.0
279.13867	4.1
279.17401	3.5
283.14801	4.3
285.12787	5.7
285.16269	4.8
286.13647	4.5
286.17166	4.6
287.14352	6.6
287.17841	4.7
289.15775	7.4
289.19202	4.3
291.14139	4.2
291.17474	10.9
293.15454	5.0
293.18997	4.5
299.14523	5.6
299.17917	6.9
301.15863	14.4
301.19193	5.5
303.17603	5.9
305.15323	4.9
315.17477	4.9
317.19016	5.1
319.16855	16.2
320.17734	4.9
321.18658	8.3
323.19843	5.2
327.17355	9.7
329.18988	6.4
337.18076	8.1
339.19800	4.0
342.19638	4.2
345.18460	10.6
357.18716	4.3
369.22583	4.7
395.23486	6.8
399.23300	4.1
401.20923	9.4
413.24738	17.6
415.26611	7.8
417.24118	16.4
421.19904	7.6
423.23047	10.7
431.25946	36.6
432.26120	5.3
441.24240	64.4
442.24655	8.5
459.25287	96.4
460.25558	13.3
477.26361	100.0
478.26538	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.4
55.01858	4.1
55.05510	11.8
63.53798	1.7
65.03961	3.0
67.05509	15.1
69.03445	9.0
69.07076	4.4
69.49706	7.7
69.50110	3.3
69.93954	1.8
71.04967	2.4
77.03925	4.0
79.05489	20.4
81.07057	12.5
83.04974	21.7
91.05470	28.5
93.07038	27.4
95.01297	1.8
95.04972	13.5
95.08611	33.4
97.06538	4.8
103.05465	5.0
105.03394	49.4
105.04477	4.8
105.07023	29.0
107.04955	12.8
107.08595	22.7
109.02885	3.3
109.06534	9.1
109.10158	3.9
111.04456	12.0
111.08120	10.0
115.05455	5.3
117.07010	17.0
119.08582	37.2
121.06518	12.2
121.10136	11.2
123.04411	4.8
123.08064	8.4
123.11757	2.6
125.06004	2.2
128.06224	10.3
129.06993	16.4
130.07814	3.6
131.04910	8.2
131.08553	25.5
131.09470	2.0
133.06480	8.5
133.10126	24.3
135.04391	16.0
135.08032	17.8
135.11679	3.3
137.05977	2.2
139.07545	9.2
141.07013	6.7
142.07817	12.1
143.08571	24.8
144.09311	6.0
145.06500	6.4
145.10121	30.4
147.08020	13.1
147.11665	13.9
149.05957	2.3
149.09613	7.3
153.07022	4.1
154.07727	3.3
155.06065	2.1
155.08572	16.0
156.09335	10.0
157.06514	4.5
157.10114	27.5
158.07288	2.4
159.08067	12.5
159.11688	15.6
160.08789	2.1
161.06009	2.9
161.09624	13.8
161.13301	2.8
163.07491	2.6
163.11180	3.3
165.07019	7.7
166.07790	2.5
167.08580	8.5
168.09355	6.6
169.06688	2.6
169.10112	18.7
170.10962	5.1
171.08041	10.0
171.11688	20.4
172.08879	4.5
173.06039	2.1
173.09593	15.9
173.13286	5.5
174.10388	2.0
175.07541	4.6
175.11211	7.6
178.07744	2.1
179.08551	7.8
180.09378	4.7
181.10089	14.2
182.10890	4.6
183.08073	4.0
183.11707	19.6
184.08847	3.3
185.09613	9.7
185.13287	9.1
187.11147	22.2
187.14856	2.2
189.09116	2.9
189.12764	5.9
191.08687	1.8
191.10707	6.4
191.36386	1.9
192.09338	6.9
193.10139	8.6
194.10901	7.5
195.08054	5.2
195.11705	14.9
196.12434	3.3
197.09598	8.5
197.13197	12.9
198.10280	1.9
199.11165	12.7
199.14818	7.1
201.09149	3.5
201.12750	7.0
203.08575	2.5
203.10602	1.9
203.14273	2.3
204.09348	3.6
205.10114	3.7
205.12221	2.4
206.10873	6.1
207.11627	13.8
208.12517	4.2
209.09659	5.4
209.13216	15.1
210.10393	4.5
210.13934	2.7
211.11194	19.7
211.14835	8.1
213.09187	2.5
213.12738	20.1
214.13362	2.0
215.08737	2.2
215.10667	6.0
215.14211	3.6
217.08400	2.6
217.10249	2.8
217.12218	3.8
218.10771	2.5
219.08247	1.9
219.11690	7.8
220.12437	5.0
221.09676	2.0
221.13290	14.6
223.11252	11.4
223.14780	8.8
224.12059	4.5
225.12755	14.1
226.13336	2.2
227.10690	2.0
227.14307	14.0
230.10945	3.7
231.09872	2.7
231.11852	4.7
232.12483	2.6
233.09573	4.3
233.11433	4.1
233.13654	8.9
234.14082	2.5
235.11150	4.2
235.14818	5.9
236.11896	2.1
237.12733	14.5
237.16411	5.8
239.14273	23.3
241.12360	2.3
241.15942	3.1
244.12488	3.3
245.13225	6.3
245.15417	4.3
246.13959	4.2
247.11206	3.2
247.14745	6.9
248.11978	2.8
248.15463	3.0
249.12784	6.9
249.16373	6.9
251.14386	6.9
253.12415	2.4
253.16063	3.0
255.13971	3.1
256.12482	2.3
257.15411	3.0
259.14685	5.6
261.12823	4.6
261.16315	4.5
263.14435	5.8
263.17944	5.0
264.14871	2.3
265.15976	3.4
267.13797	2.8
267.17526	2.2
269.13022	2.4
271.13403	2.9
273.16385	5.1
274.17084	3.5
275.14490	4.5
275.17972	6.9
277.15842	12.0
279.17538	3.0
283.13287	3.5
285.16638	2.8
287.14297	2.8
287.17999	3.4
289.16034	4.2
289.19565	5.1
291.14243	2.4
291.17447	9.4
293.19064	2.2
295.16949	6.3
299.17947	3.8
301.15829	3.9
302.16699	2.3
303.17572	3.4
309.18546	4.2
313.18210	4.5
317.19019	7.2
319.16821	4.8
319.20520	3.4
327.19510	6.3
329.19083	3.9
333.18640	2.9
336.17310	3.1
337.18042	5.8
339.17560	2.3
345.18478	6.5
346.18887	2.2
347.19980	3.7
360.20767	2.6
363.19708	8.8
365.21213	2.0
377.21213	2.7
378.21802	3.2
381.22098	2.1
385.25351	3.4
395.23679	6.7
399.23203	2.6
403.26624	4.7
413.24860	17.0
414.25018	4.3
423.23303	5.1
431.25797	65.4
432.26328	6.4
433.27078	2.7
441.24185	19.3
449.26965	2.7
459.25357	50.0
460.25525	5.2
477.26352	100.0
478.26581	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2636
Annotation	Harunmadagascarin D
Peak:m/z	Relative Intensity
51.47518	1.2
53.03946	4.0
55.01867	2.8
55.05507	9.4
59.81643	1.1
66.07883	1.3
67.05507	10.3
69.03416	2.3
69.07058	1.6
69.14722	8.3
75.63241	1.2
76.80212	1.3
79.05499	9.1
81.07058	7.1
81.76004	1.2
83.04982	31.3
91.05486	13.2
93.07040	15.1
95.04976	4.9
95.08614	16.4
105.07027	13.9
107.08582	6.6
109.06520	3.7
109.10175	1.7
111.04436	16.6
111.08095	5.9
113.05997	1.8
114.39227	1.4
115.05453	1.9
117.07030	4.9
119.08588	12.5
121.06516	5.9
121.10172	2.7
123.08029	2.8
128.06232	4.0
129.07011	8.6
131.08578	8.5
133.06566	1.5
133.10129	8.9
135.08069	5.9
137.05949	3.2
139.07571	4.0
141.06989	5.6
142.07782	4.6
143.08571	10.3
144.09277	1.9
145.06488	3.2
145.10152	6.9
147.08083	3.2
147.11722	3.2
149.09566	1.8
153.07010	4.2
154.07767	4.9
155.08556	26.7
156.09352	6.8
157.06441	1.8
157.10130	11.0
159.08087	4.3
159.11720	5.8
161.09612	4.0
165.07013	6.1
166.07774	2.6
167.08540	6.3
168.09326	2.7
169.10115	25.3
170.10852	2.9
171.08076	5.7
171.11697	9.0
172.08757	2.0
173.09613	5.9
173.13266	1.7
178.07828	2.9
179.08568	11.1
180.09370	6.6
181.06517	2.9
181.10121	8.7
182.07312	2.0
182.10860	2.1
183.08075	2.4
183.11725	5.4
185.09627	4.0
185.13286	2.4
186.10353	1.9
187.11159	7.0
190.07841	1.5
191.08562	3.7
192.09328	8.5
193.10146	15.9
194.10887	5.7
195.08139	5.8
195.11697	13.6
196.12457	1.4
197.09621	13.6
197.13280	3.4
198.10318	1.3
199.11168	2.2
201.09061	1.7
202.07756	2.0
203.08627	4.2
203.10605	1.5
204.09387	4.0
205.10173	6.6
206.10938	11.5
207.11694	21.8
208.12383	4.3
209.09589	4.1
209.13277	9.1
211.11250	2.6
213.09122	4.9
215.08727	2.5
215.10747	8.0
216.09294	4.2
217.10103	6.4
218.10843	4.6
219.08092	2.3
219.11705	12.6
220.12444	4.4
221.09732	2.8
221.13281	12.3
222.10362	2.2
222.14032	2.9
223.11197	5.5
223.14896	4.0
225.09146	1.5
225.12801	3.8
229.10129	7.0
230.10867	4.9
231.11700	11.9
232.08826	2.2
232.12474	6.4
233.09715	2.5
233.13211	10.4
234.13974	2.8
235.11160	5.5
235.14874	4.5
236.11882	1.4
237.12790	3.7
239.14366	1.9
241.10162	1.7
242.10895	2.9
243.11722	9.5
244.12413	9.3
245.09706	2.6
245.13231	11.9
245.15408	1.7
246.13994	5.1
247.11198	4.9
247.14861	6.9
248.15643	2.3
249.12766	6.7
249.16443	4.4
250.13446	1.4
251.14455	2.1
253.12315	3.2
255.11557	1.7
255.13936	6.3
256.12305	3.1
257.13126	7.6
258.10501	1.4
258.13965	7.1
259.11215	3.7
259.14798	11.0
260.15558	4.6
261.12778	5.2
261.16315	7.3
262.13620	2.4
263.10809	2.0
263.14352	3.7
263.17838	1.6
265.12296	5.4
267.13913	7.2
269.13281	2.3
270.14151	3.0
271.11279	2.6
271.14798	6.9
272.12091	2.0
272.15570	3.6
273.12924	2.5
273.16388	8.2
274.13553	2.1
274.17072	3.3
275.14322	3.8
275.17938	4.6
276.15256	2.5
276.18658	1.6
277.12189	2.5
277.15906	3.1
278.16632	1.9
279.14005	2.4
281.15646	1.7
283.14679	2.8
284.15497	1.8
285.12894	1.9
285.16248	6.6
286.13531	3.2
286.16803	2.3
287.14325	4.5
287.17984	5.2
289.15842	4.5
289.19186	1.9
291.14056	2.2
291.17432	5.7
295.17014	2.1
299.14273	3.4
299.18002	6.5
300.15375	2.0
300.18713	3.2
301.15863	8.2
301.19479	4.8
302.16626	3.3
303.14014	1.7
303.17453	3.7
303.20950	2.1
305.15369	2.6
309.18796	6.2
313.15930	2.7
314.20004	2.1
315.17282	1.8
315.20868	2.3
317.15646	1.9
317.19092	3.0
318.16229	2.0
319.16940	7.9
321.18491	2.2
323.16418	2.6
327.17392	6.3
329.19073	1.8
331.16840	1.9
331.20569	3.2
333.18707	1.6
337.18097	5.6
342.19855	5.7
345.18573	5.3
349.21735	5.8
359.20508	1.7
360.20880	1.6
371.19992	1.8
395.23639	1.7
399.23303	7.3
403.65396	1.4
413.24829	11.0
414.25479	1.6
415.26501	15.6
416.26584	2.5
417.24188	5.4
423.23254	3.2
431.25983	8.7
433.27408	12.9
441.24255	38.8
442.24805	3.2
459.25302	84.0
460.25577	7.4
477.26379	100.0
478.26349	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2638
Annotation	Calofloride
Peak:m/z	Relative Intensity
53.03950	2.1
55.05500	2.7
67.05498	4.8
69.03430	2.0
69.07063	1.3
69.14039	6.5
71.05005	1.1
79.05494	3.3
81.07075	4.0
83.04974	3.3
91.05497	6.0
93.07040	8.4
95.04970	2.2
95.08611	6.5
97.02907	6.7
99.04459	1.2
105.03418	5.2
105.07019	6.9
107.04950	1.0
107.08578	3.8
108.45280	0.8
109.06555	1.8
109.10101	1.6
111.04431	2.1
111.08089	3.8
113.02354	0.9
113.06033	0.8
115.03912	0.9
115.05467	1.4
117.07030	2.8
119.08572	8.2
121.06516	1.3
121.10178	2.1
123.08025	1.1
123.11717	1.2
123.91469	0.7
128.06204	2.8
129.07027	3.1
131.08569	5.0
133.06496	0.8
133.10112	6.2
134.10498	0.7
135.08060	1.4
137.05972	2.5
139.07584	1.1
141.06987	1.3
142.07808	3.0
143.08582	4.6
145.06534	1.0
145.10127	4.5
147.08032	1.9
147.11688	2.2
153.07036	2.6
154.07755	2.3
155.08562	32.1
155.09831	1.6
156.09215	3.1
157.06511	1.9
157.10123	6.8
159.08096	1.3
159.11740	3.0
161.09616	2.8
165.07002	2.4
166.07703	1.1
167.08574	4.0
168.09351	1.0
169.10115	5.3
170.10822	1.5
171.08017	2.0
171.11688	4.5
172.08809	0.8
173.09633	1.8
173.13246	1.2
175.11215	2.7
179.08586	4.7
180.09296	2.2
181.06473	0.9
181.10135	5.2
182.10822	1.0
183.08075	0.9
183.11667	4.3
185.09714	1.4
185.13321	2.2
187.11183	1.8
189.09161	1.2
192.09326	1.4
193.10126	4.8
194.10878	3.6
195.08101	5.2
195.11693	5.6
196.12427	1.2
197.09630	2.9
197.13222	3.0
199.11244	2.3
199.14868	1.1
203.08618	0.9
203.10669	1.8
204.09476	1.1
205.10091	3.2
206.10905	3.0
207.07959	0.8
207.11713	9.7
208.12411	2.0
209.09663	2.1
209.13248	9.1
210.10480	1.0
210.13727	1.2
211.11206	1.5
211.14893	1.7
212.11586	1.1
215.08669	1.0
215.10722	1.5
217.12206	1.2
219.11639	4.1
220.08875	1.0
220.12491	1.3
221.09729	1.3
221.13307	6.8
223.11234	1.5
223.14854	2.5
225.12627	1.3
225.16354	0.9
230.10898	1.2
231.11699	2.4
232.12514	1.8
233.09608	1.3
233.13266	3.0
234.14020	1.3
235.11002	0.9
235.14859	3.2
237.12744	2.2
237.16423	1.2
239.10710	1.0
239.14262	0.9
243.11699	1.0
243.13872	1.0
244.12462	0.9
245.13223	3.2
246.13943	0.8
247.11134	1.7
247.14752	3.8
248.15440	1.1
249.12756	2.1
249.16464	2.8
251.14241	1.4
251.17932	1.0
253.12151	1.9
254.12877	0.9
255.13788	13.2
257.13257	1.0
257.15573	0.9
259.14902	2.6
260.15543	1.4
261.12643	1.9
261.16376	2.4
262.13351	0.8
263.14346	1.3
263.18088	1.3
265.19440	1.0
267.13870	5.6
268.14297	1.0
269.15564	0.9
270.13895	0.9
271.14780	1.2
273.12900	1.0
273.16467	1.7
275.14273	1.8
275.17941	1.4
275.21735	0.7
277.12207	0.7
277.15930	2.0
277.19275	0.9
288.15057	0.8
289.16006	1.7
289.19592	1.4
295.16907	0.9
301.12241	0.8
301.15854	1.1
303.17709	1.7
303.21078	2.0
305.15472	1.7
307.17099	1.9
319.16791	1.5
320.17435	1.7
321.18436	1.8
331.20615	2.1
333.21982	1.0
335.19913	1.0
337.17630	1.0
347.19934	1.6
349.21585	5.4
351.23135	1.5
375.23538	0.8
381.18518	1.1
393.24298	0.8
413.24686	2.1
417.24142	3.1
431.25830	8.7
432.26791	0.8
433.27441	2.3
441.24191	5.2
459.25241	15.4
460.25696	1.3
477.26358	100.0
478.26605	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2637
Annotation	Bazouanthrone
Peak:m/z	Relative Intensity
51.99280	4.4
55.01862	4.4
55.05508	14.4
67.05501	16.9
69.03432	8.9
69.07064	7.8
69.19383	32.2
75.17507	4.2
79.05495	19.3
81.07048	19.8
83.04979	16.1
83.08627	6.2
90.71230	4.6
91.05501	27.3
93.07040	34.8
95.04969	9.9
95.08604	24.1
105.03381	9.8
105.07032	27.9
107.04951	5.4
107.08586	14.7
109.06521	9.8
109.10181	13.2
111.04449	12.4
111.08082	10.0
111.84866	4.4
115.05444	7.7
117.07037	16.1
119.08578	27.4
121.06511	8.5
121.10121	11.1
123.08086	8.2
123.11784	4.2
128.06216	14.0
128.53720	4.4
129.06987	18.1
131.08578	26.0
133.06488	8.2
133.10112	11.9
135.08105	6.7
141.07014	11.8
142.07787	17.5
143.08527	27.9
145.06485	7.3
145.10120	22.9
147.08047	9.8
147.11719	7.1
153.07010	6.4
154.07721	5.4
155.08575	26.1
156.09358	11.2
157.06453	6.2
157.10161	28.2
159.08093	15.5
159.11734	11.3
161.09613	11.9
161.13278	5.7
165.07007	12.0
167.08562	15.0
169.10121	27.3
171.08015	21.9
171.11708	14.7
173.09634	19.0
173.13248	6.8
175.07553	5.9
175.11214	17.0
179.08623	11.1
180.09271	7.8
181.10123	17.3
183.08176	5.8
183.11655	14.8
185.09636	14.2
187.11189	7.8
189.09108	7.4
189.12839	5.0
191.66000	4.5
192.09351	10.4
193.10156	14.8
194.10838	7.8
195.08070	5.2
195.11684	27.1
197.09656	12.8
197.13193	9.7
199.11107	20.3
203.08617	4.8
203.10629	7.8
205.10086	6.5
206.10977	7.1
207.11629	23.9
208.12144	5.7
209.09583	7.1
209.13249	13.5
211.11176	15.0
211.14507	6.5
213.12779	12.1
218.10825	6.8
219.11758	11.2
221.09578	5.4
221.13240	18.3
223.11214	15.0
223.14896	5.7
225.12775	12.0
231.11600	8.4
233.13206	6.5
235.14830	10.4
237.12805	14.7
239.14261	5.8
241.12178	5.4
243.11694	7.7
245.13133	10.2
246.14067	4.8
249.12695	6.6
249.16383	5.3
251.14214	5.9
253.12260	4.8
253.15955	4.3
255.13792	7.0
257.13129	9.6
257.55170	4.2
258.13864	5.4
259.11200	6.9
259.14822	10.1
261.12781	4.9
267.14218	6.1
269.13043	4.5
273.12753	7.2
273.16147	7.1
275.14395	9.4
285.16537	6.4
289.15839	8.6
291.17297	6.6
297.32172	4.4
298.13550	4.6
301.15714	5.2
301.19431	5.4
315.17355	6.1
319.17175	6.1
329.19058	8.2
333.18527	8.0
336.26062	13.5
343.20706	7.6
351.19565	18.5
353.19092	10.3
361.21429	6.1
371.20032	6.8
383.19962	11.4
395.23657	7.3
399.23566	6.4
401.21097	18.6
413.24725	87.0
414.24973	8.2
417.24127	15.7
419.22064	10.0
423.23169	16.7
431.25723	18.2
441.18326	3.4
441.24210	100.0
442.24469	12.0
459.25095	53.5
460.25540	9.8
477.26254	97.9
478.26212	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2638
Annotation	Harunmadagascarin D
Peak:m/z	Relative Intensity
53.03951	2.8
55.01873	3.7
55.05514	11.4
55.36064	1.7
65.03951	3.2
67.05511	17.4
68.75527	1.6
69.03428	4.4
69.07056	3.4
70.36345	3.3
70.36702	4.5
72.21281	1.6
75.45574	2.4
79.05505	12.3
81.03410	2.1
81.07058	22.9
83.04984	35.1
90.98355	1.6
91.05479	23.1
93.07051	30.1
95.04979	6.3
95.08602	26.4
97.02811	2.0
97.06522	3.1
105.07027	21.1
107.04989	2.4
107.08584	13.6
109.06509	11.2
109.10149	4.6
111.04424	13.6
111.08065	12.3
115.05471	3.2
117.07023	7.4
119.08585	27.9
121.06479	11.8
121.10117	3.2
123.08054	6.8
128.06244	7.3
129.07013	14.3
130.07802	2.2
131.04866	2.0
131.08563	15.2
133.06461	3.5
133.10124	17.9
135.08046	9.3
137.05971	18.4
139.07581	9.0
141.06989	8.2
141.89084	2.1
142.07790	9.3
143.08539	16.4
144.09296	4.1
145.06488	5.7
145.10095	16.8
147.08086	4.1
147.11708	6.9
152.06300	1.8
153.06982	3.7
154.07793	10.3
155.08540	16.1
156.09331	8.1
157.06584	4.1
157.10112	19.2
159.08087	6.8
159.11703	12.9
161.09608	6.9
165.07019	5.9
167.08585	7.2
167.64655	1.8
168.09294	4.1
169.10141	21.9
170.10823	3.8
171.08134	4.1
171.11662	13.5
172.08847	2.1
173.09659	8.3
173.13242	2.8
175.11177	3.3
178.07735	2.2
179.08499	11.8
180.09323	4.6
181.10106	13.8
182.07307	4.7
182.10918	4.9
183.08047	2.2
183.11678	14.3
184.12354	2.4
185.09668	6.8
185.13258	6.4
186.10400	2.2
187.11169	10.7
189.09146	3.9
189.12770	2.6
190.07869	2.0
191.08582	3.2
192.09358	7.2
193.10109	14.9
194.10913	5.1
195.08054	7.3
195.11716	12.4
196.08920	2.4
196.12463	3.1
197.09634	21.4
197.13225	10.1
199.11215	7.3
199.14822	4.7
201.12692	2.9
202.07875	2.4
203.08566	3.2
204.09262	3.9
205.10152	8.5
205.12068	2.1
206.10881	8.5
207.11691	21.4
208.08765	2.1
208.12312	4.6
209.09625	8.3
209.13245	9.1
211.11200	7.4
211.14781	4.3
213.09137	3.8
213.12752	4.1
215.08765	4.1
215.10657	21.0
216.09363	3.6
217.10132	8.5
218.10941	5.9
219.11638	15.0
220.12447	9.0
221.09647	4.5
221.13219	13.9
222.10657	2.6
223.11183	8.1
223.14767	3.3
224.11852	2.4
225.12704	9.5
227.14247	6.8
229.10152	6.2
230.10898	6.7
231.11685	11.0
232.12430	7.8
233.09608	2.9
233.13402	11.3
234.14023	4.7
235.11174	5.7
235.14824	6.8
236.12207	2.4
237.12747	7.9
239.10538	2.7
239.14351	5.2
242.10921	2.7
243.11688	9.6
244.12416	5.5
245.09558	4.0
245.13216	11.0
245.15466	4.8
246.10364	2.6
246.13991	3.4
247.11250	8.5
247.14888	8.3
248.11916	3.1
248.15645	3.0
249.12683	6.6
249.16365	4.7
251.14316	5.2
253.12265	3.1
255.13780	3.4
256.12369	3.0
257.09692	2.0
257.13171	9.1
258.10187	2.9
258.13956	7.4
259.11169	4.7
259.14819	13.9
260.12094	2.3
260.15598	4.3
261.12830	5.3
261.16287	9.1
263.10754	2.2
263.14398	5.4
263.17883	3.1
265.12305	3.5
265.15906	2.4
267.13873	9.2
270.13803	2.4
271.11115	3.4
271.14746	6.5
272.15451	4.4
273.12717	3.0
273.16400	14.2
274.16962	4.1
275.14365	8.0
275.17969	8.3
277.15860	8.4
277.19424	2.4
283.14771	2.8
284.15546	3.7
285.12900	4.8
285.16382	7.7
286.13660	5.2
286.17026	2.4
287.14243	6.2
287.17719	3.0
289.12357	2.1
289.15842	3.5
289.19366	2.1
291.17487	6.0
293.15439	4.0
295.17050	4.6
297.15866	2.4
299.14362	2.7
299.17963	6.1
300.18518	2.3
301.15887	11.6
301.19180	3.2
302.16574	3.5
303.14130	2.3
303.17487	7.5
303.20947	2.8
304.14713	2.7
305.15445	4.6
306.16165	2.4
309.16074	2.0
313.16037	3.3
314.20404	3.0
315.17545	4.6
315.21167	3.2
316.21719	2.1
317.15439	3.7
317.18930	4.2
319.16965	8.5
320.17877	4.5
321.18509	4.2
327.17474	7.9
329.18884	2.3
331.16870	3.2
331.20508	3.8
332.17615	3.4
341.19162	2.8
342.19653	3.4
343.20346	3.1
345.18497	9.8
347.20227	2.5
349.21713	4.5
359.20065	4.6
360.20633	5.7
395.23935	4.9
399.23541	3.3
401.21298	2.3
403.18900	3.0
413.24811	14.6
415.26379	8.4
417.24625	2.5
421.20023	2.7
423.23004	10.5
431.25912	16.6
441.24231	50.7
442.24722	4.4
459.25296	100.0
460.25589	8.6
477.26385	93.0
478.26566	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2638
Annotation	Harunmadagascarin D
Peak:m/z	Relative Intensity
53.03951	4.4
55.05510	13.1
57.03436	2.0
57.07070	1.5
62.08012	1.4
65.03899	2.0
67.05507	17.2
69.03383	1.8
69.07072	5.2
69.15700	9.6
69.16110	3.9
79.05496	13.5
81.07057	16.8
83.04983	6.5
83.08627	3.2
91.05486	11.0
93.07035	15.1
95.04963	6.5
95.08601	25.3
97.06535	2.4
97.10174	4.2
97.95735	1.4
98.23168	5.6
98.45956	1.4
98.69613	1.6
105.03390	31.4
105.04488	2.0
105.07034	13.4
106.03720	15.4
107.03934	1.9
107.08591	10.7
109.06542	1.7
109.10176	7.7
111.04458	5.5
111.08069	3.6
115.05499	2.3
117.07043	4.4
119.08552	12.6
121.06521	3.0
121.10152	6.7
123.08079	2.8
125.09666	3.7
129.07004	5.0
131.08563	5.1
133.10164	6.1
135.08058	3.1
135.11665	1.8
137.06036	1.8
139.07584	2.4
141.06985	4.5
141.09129	1.8
142.07790	4.8
143.08556	6.2
145.06526	2.7
145.10132	6.6
147.08043	3.8
147.11707	4.5
149.13297	2.2
155.08575	7.0
157.10141	9.2
159.08090	2.1
159.11691	5.5
161.09625	3.1
161.13316	2.2
165.06966	2.8
166.07710	2.2
167.08557	4.2
169.06383	2.7
169.10162	6.8
171.08087	2.4
171.11707	4.4
175.03877	3.1
175.11116	2.0
179.08549	4.8
181.10129	4.4
183.08005	4.0
183.11740	5.4
185.09590	3.5
189.05473	2.5
189.12776	3.4
190.07700	1.6
191.08604	1.9
192.09273	2.4
193.10158	5.2
194.10890	3.4
195.08104	2.7
195.11743	4.4
196.12413	2.1
197.09618	3.5
197.13219	2.9
199.07510	3.3
203.08633	1.7
205.10109	2.5
206.10869	2.1
207.11710	5.6
209.09543	2.2
209.13269	5.3
211.07535	4.4
211.11111	2.2
213.09172	3.0
213.12665	2.1
215.06961	4.1
217.10181	2.5
219.08093	2.0
219.11703	3.9
220.08727	2.4
220.12297	1.8
221.09676	3.0
221.13284	3.7
222.10420	2.6
223.07617	2.7
223.11160	3.1
223.14720	1.8
225.05486	3.3
225.09142	1.9
225.12770	3.0
227.07024	6.3
231.11795	3.3
232.12421	1.9
233.09674	2.5
233.13263	3.6
234.10362	1.8
235.11162	5.3
235.14761	2.1
237.12775	3.7
239.07080	5.6
240.07658	2.5
241.08644	2.5
244.12614	1.9
245.13348	2.0
246.13972	1.7
247.11224	3.6
247.14969	2.7
249.12805	2.2
250.09857	3.5
251.10660	2.1
253.08618	4.1
253.12233	3.4
254.09442	1.6
255.10115	1.9
257.13361	2.3
259.14789	3.3
263.10754	4.5
265.08414	3.1
265.12262	8.2
267.10211	3.2
269.11841	2.6
271.10861	1.8
271.13419	2.6
273.16504	2.4
275.10843	2.0
277.12192	2.2
277.16043	2.0
279.10239	2.9
279.13864	3.6
281.11774	6.5
283.13251	13.2
286.13699	2.0
287.14264	4.9
289.15857	2.0
291.13660	2.1
291.17441	3.1
293.11752	4.3
293.18930	2.0
295.13229	4.1
297.14655	1.7
301.15796	4.0
303.13919	2.0
305.15500	1.9
319.17154	7.8
335.16492	1.8
336.17142	2.4
337.17947	15.3
338.18622	2.1
345.18344	2.7
359.20108	2.1
395.23401	2.5
413.24725	3.9
415.26413	3.8
423.23019	2.2
431.25650	6.5
441.24167	23.8
442.25150	2.2
459.25333	56.5
459.35037	2.7
460.25729	7.4
477.26331	100.0
477.35678	4.7
478.26529	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2638
Annotation	Harunmadagascarin D
Peak:m/z	Relative Intensity
51.97400	2.2
55.05508	18.3
57.07071	2.6
58.56470	2.0
59.02549	2.1
61.53172	2.3
67.05495	14.1
69.03429	3.3
69.07080	11.6
71.05004	2.7
71.30382	3.7
79.05494	9.9
81.07056	19.8
83.04987	26.3
83.08617	4.2
91.05478	14.5
91.70486	2.4
93.07058	16.8
95.04989	5.8
95.08603	25.1
97.10195	4.1
103.44088	2.4
105.07043	17.9
107.08616	10.0
109.06528	3.8
109.10189	10.3
111.04460	17.5
111.08091	4.1
115.50072	2.5
117.07031	5.1
119.08582	14.3
121.06541	7.6
121.10197	3.4
121.97954	2.4
123.08132	4.6
123.11720	3.8
125.05949	2.6
128.06241	5.3
129.07019	7.7
131.08580	7.1
133.10162	11.4
135.08069	8.5
137.06017	7.3
142.07803	8.7
143.08609	9.0
145.06488	3.9
145.10159	10.5
147.08041	4.8
147.11739	6.7
150.01932	2.5
151.07626	5.1
153.07024	3.9
154.07829	4.2
155.08533	12.5
157.10123	15.8
159.08095	5.2
159.11714	7.3
161.09628	7.9
165.07025	4.9
165.09138	3.9
167.07050	11.7
167.08591	7.3
168.09363	6.2
169.10139	12.3
171.08081	4.9
171.11728	7.7
173.09618	7.1
175.11212	3.8
177.09238	2.8
178.07793	2.6
179.08582	7.0
180.09402	3.4
181.10135	8.2
183.11586	5.8
185.09631	5.5
185.13329	3.2
187.11168	4.0
189.09145	4.3
192.09402	5.3
193.10201	9.8
194.10966	4.2
195.08095	6.5
195.11732	10.0
197.09531	5.6
197.13377	5.6
199.11218	6.0
203.08781	2.8
203.10796	4.4
205.10205	8.2
206.10905	6.8
207.11664	12.1
208.12419	5.3
209.09662	3.7
209.13222	5.9
211.14909	3.9
213.09094	26.9
213.12756	5.3
215.10696	4.7
217.10326	4.0
217.12326	3.2
219.11687	17.6
220.12442	6.8
221.13358	9.6
223.11281	3.7
230.10918	4.6
231.11751	5.1
232.12560	2.9
233.13309	7.1
237.12769	5.0
239.14331	3.3
243.11705	4.8
244.08473	2.5
245.13298	8.5
246.14047	3.9
247.11121	3.5
247.14864	7.0
249.12813	2.9
249.16547	5.1
255.13838	3.9
257.13199	6.6
258.14136	4.5
259.14890	9.9
261.12842	2.6
261.16531	4.2
263.14426	3.6
263.17694	2.7
265.12241	15.2
267.13818	3.4
273.16464	5.9
275.18005	3.1
279.13892	3.0
283.13507	3.0
285.16373	4.3
287.18015	4.5
289.16129	4.5
291.13931	5.4
291.17218	4.2
301.16013	3.9
305.15482	2.8
317.15500	3.4
319.16992	3.7
345.18634	5.0
349.21524	11.9
362.08987	2.8
413.24805	19.5
431.25854	10.6
441.24408	12.6
459.25317	39.6
460.25812	4.9
477.26465	100.0
478.26480	8.8
478.32999	3.0
486.38892	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.7
54.44610	2.4
55.01881	13.8
55.05511	58.3
57.03435	14.9
57.71885	2.3
65.03939	4.9
67.05505	68.2
69.03426	9.8
69.07068	18.1
71.04981	10.6
79.05494	74.3
81.03416	100.0
81.07053	58.7
83.04965	13.1
83.08615	44.6
85.02914	9.6
85.06532	6.3
91.05478	64.4
93.07037	43.3
95.04962	37.3
95.08610	29.4
96.05299	3.5
97.02906	4.7
97.06506	13.4
97.10172	50.5
97.10774	4.6
103.05479	4.2
104.93877	2.9
105.04553	4.1
105.07035	43.4
107.04948	29.2
107.08583	29.4
109.06532	14.2
109.10151	17.0
111.04423	6.0
111.08099	15.0
115.05484	3.3
117.07030	21.8
117.42487	2.9
119.08585	30.7
121.06511	36.9
121.10147	12.1
123.08084	9.4
123.11733	3.9
125.09632	34.8
128.06241	6.6
129.07001	24.3
131.04948	5.2
131.08563	28.1
132.90855	3.0
133.06511	13.2
133.10097	14.0
135.08057	10.7
135.11710	5.9
136.20654	2.9
137.09579	4.0
141.06987	5.0
143.08591	7.8
145.06470	17.1
145.10118	11.6
147.08057	8.5
147.11710	16.0
149.06104	2.9
149.09660	11.0
149.13313	2.6
153.09123	8.5
153.12726	3.3
155.08591	7.6
157.06512	4.9
157.10106	22.2
159.08073	8.0
159.11713	6.5
161.09654	4.5
167.08736	2.9
169.10141	11.5
171.08061	6.3
171.10210	4.0
171.11662	8.4
173.09727	2.9
175.11209	18.0
183.11711	4.0
185.09674	3.6
185.13379	2.9
187.11136	5.9
187.14891	4.6
189.09370	4.8
189.11224	24.2
189.12775	5.6
193.12250	61.8
195.08177	2.5
197.13191	4.9
199.11124	6.0
201.12576	2.8
203.14215	2.7
205.12309	5.9
209.13335	3.4
211.13139	14.8
215.14372	7.3
223.13269	4.5
227.12595	20.4
231.13860	4.5
233.15384	21.3
233.50342	3.4
234.15553	2.9
243.13860	4.0
245.15453	3.7
249.14879	6.6
255.13779	3.9
259.13156	3.1
267.15918	24.9
273.14789	17.5
289.18262	3.3
291.16031	4.4
339.23163	9.3
341.20975	3.2
349.21619	16.4
357.24155	15.5
367.22675	43.3
375.25415	4.4
382.54373	2.8
385.23682	64.5
403.24734	27.6
415.24567	3.9
433.26129	9.1
441.26236	6.0
449.29147	2.9
458.06873	3.0
459.27411	73.8
460.27328	6.1
477.21503	4.2
477.28479	62.9
478.28183	3.2
504.45200	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	13.8
55.01875	15.4
55.05511	72.2
56.96370	2.5
57.03437	12.5
59.04989	4.2
65.03953	6.4
67.05505	72.2
68.05843	2.8
69.03426	16.3
69.07066	46.4
71.04998	9.1
79.05492	85.5
81.03419	100.0
81.07055	77.7
83.04987	30.9
83.08617	48.5
85.02904	8.3
85.06557	5.3
91.05487	81.7
93.07048	69.9
93.82004	2.9
95.04967	50.1
95.08604	45.8
97.06540	12.3
97.10166	44.1
99.00831	8.5
99.04465	4.9
103.05475	5.6
105.07030	58.3
107.04969	41.8
107.08608	45.9
109.06541	16.4
109.10157	20.0
111.04459	5.8
111.08076	19.0
113.06002	3.8
115.05444	6.3
117.07008	21.5
119.04939	6.5
119.08584	45.5
121.06520	43.3
121.10145	17.5
123.04398	3.4
123.08076	19.6
123.11698	6.1
125.05959	3.6
125.09614	36.8
128.06239	9.1
129.07008	29.8
130.07841	4.9
131.04900	7.3
131.08569	39.5
133.06514	16.8
133.10139	25.5
135.04413	3.2
135.08051	21.3
135.11708	6.1
137.05963	6.7
137.09575	3.4
139.07529	4.3
141.07013	10.7
142.07826	13.9
143.08568	21.5
145.06503	26.5
145.10120	22.9
147.04443	6.0
147.07997	14.8
147.11685	18.2
149.05997	4.1
149.09619	15.8
149.13280	5.5
153.07019	4.4
153.09126	7.4
153.12666	3.3
154.07657	3.7
155.08568	18.8
156.09351	6.8
157.06567	8.2
157.10127	26.8
159.08076	11.1
159.11641	14.0
160.57127	2.8
161.06017	4.4
161.09660	11.0
163.11176	9.9
165.07004	3.9
165.12756	4.6
167.08588	9.6
168.09229	3.4
169.06496	3.6
169.10135	15.4
170.10533	3.9
171.08098	9.4
171.11665	16.7
171.26340	3.0
173.09677	10.2
175.07491	6.8
175.11169	18.9
179.08571	8.4
180.09290	4.0
181.04953	10.2
181.06461	3.1
181.10164	11.8
183.07991	3.4
183.11685	8.7
185.09669	9.1
185.13344	6.5
187.11179	8.7
187.14870	6.0
189.09270	8.2
189.11229	16.8
189.12773	9.0
192.09427	3.3
193.10297	8.2
193.12231	55.9
194.10919	4.5
195.06549	20.1
195.08092	7.6
195.11725	13.6
196.08894	3.8
197.09665	11.2
197.13292	12.1
198.10429	3.7
199.11247	8.8
199.14822	4.6
201.12660	6.6
203.10732	8.0
205.10158	4.7
205.12257	4.3
206.10883	3.6
207.11794	16.6
207.13458	3.2
209.08076	8.5
209.09853	3.3
209.13245	7.8
211.11198	8.4
211.13316	18.3
213.12738	6.2
215.10664	7.7
215.14293	8.9
216.09303	3.2
217.10211	3.7
217.12173	6.4
218.10829	6.6
219.11707	9.0
219.13739	3.4
220.12254	3.6
221.13451	14.9
223.09682	12.4
223.11476	4.8
223.14798	8.1
225.12831	8.9
227.12695	19.8
230.10791	3.2
231.11768	7.0
231.13817	4.5
233.13277	6.5
233.15273	16.6
235.11336	6.1
235.14883	3.6
237.10988	5.3
237.12965	6.9
239.14330	5.2
241.12285	5.9
243.13866	4.6
244.12474	4.8
245.13307	6.9
245.15572	5.0
246.13948	3.5
247.14825	9.8
249.12816	3.9
249.14861	7.0
251.12642	6.0
253.12181	4.2
255.13751	9.8
257.15448	4.3
259.10995	3.6
259.14987	6.3
260.15643	5.3
261.12662	6.4
263.14447	4.2
265.15875	2.8
267.13580	3.1
267.15958	45.4
271.14734	3.6
272.15701	2.9
273.14932	13.5
275.14276	7.6
277.15750	3.3
279.13699	4.1
281.15384	3.7
285.16409	3.6
289.15585	3.3
291.17294	3.4
293.15250	4.0
303.17337	3.9
305.15228	5.7
314.20169	3.4
319.17157	6.0
331.20654	3.3
337.18207	4.8
339.23090	8.4
349.21637	13.1
350.21829	3.7
357.24130	10.4
367.22754	38.7
385.23660	73.5
386.24063	7.1
403.24908	17.8
413.24847	6.9
415.25977	5.0
417.24158	8.9
431.26147	11.6
433.26605	10.7
441.24271	15.1
442.24637	3.9
457.23459	3.2
459.26447	68.0
460.26236	7.1
468.39999	3.3
468.58453	3.6
477.26672	87.8
477.32086	79.1
478.26950	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.7
55.01868	17.4
55.05511	75.4
57.03442	22.7
65.03944	5.5
67.05506	74.4
69.03432	12.3
69.07072	26.5
71.04998	8.2
71.31709	4.0
74.65903	2.9
79.05494	93.7
80.05855	3.9
81.03417	100.0
81.07056	76.0
83.04980	36.5
83.08614	50.0
85.02901	8.1
85.06540	6.6
87.33244	3.1
91.05479	59.5
93.07042	59.7
93.69400	3.0
95.04967	52.9
95.08612	36.8
97.02873	3.4
97.06530	10.3
97.10175	53.8
103.05481	6.0
105.03403	5.7
105.07029	51.0
107.04948	37.7
107.05488	3.2
107.08593	48.7
109.02851	3.3
109.06537	14.3
109.10167	21.1
111.04475	7.1
111.08070	20.7
115.05457	8.4
117.07027	31.2
119.08588	47.6
121.06505	40.6
121.10145	17.5
123.08052	18.1
125.05949	6.7
125.09643	43.8
128.06236	8.5
129.06995	26.6
131.04939	8.7
131.08565	40.2
133.06529	18.5
133.10121	23.2
135.04433	3.9
135.08035	22.5
135.11714	8.2
137.05962	5.9
137.09698	5.3
139.07578	6.7
141.07005	12.1
142.07773	3.7
143.08577	18.2
145.06493	29.2
145.10149	20.7
147.04404	5.7
147.08038	20.9
147.11716	15.9
149.09622	14.0
151.07619	5.4
153.09102	11.0
154.07739	4.8
155.08586	15.7
156.09378	5.8
157.06450	8.0
157.10141	27.6
159.08092	10.1
159.11707	13.1
161.05975	6.3
161.09621	12.5
163.07556	3.1
163.11208	7.0
165.06973	5.6
165.12761	4.2
167.08607	8.1
169.10155	15.7
171.08081	11.6
171.10358	5.1
171.11649	16.4
173.09645	11.7
173.13231	5.1
175.11151	17.3
177.12804	4.0
179.08533	7.5
181.10133	11.0
183.08096	7.8
183.11731	9.3
185.09666	7.2
185.13245	10.4
187.11247	11.9
187.14787	4.3
189.09512	3.6
189.11229	22.8
189.12794	7.3
192.09322	5.1
193.10225	9.6
193.12213	62.1
194.10852	4.8
195.11687	11.5
197.09615	8.7
197.13249	6.8
199.11174	9.9
201.12747	4.4
205.10144	6.6
205.12184	4.4
207.11736	11.9
209.13269	10.5
211.11349	6.8
211.13338	12.8
213.12724	7.7
215.10515	5.0
215.14398	11.5
217.08559	6.8
217.12190	5.0
219.11731	6.7
220.12419	5.8
221.13213	8.5
223.11313	7.5
223.14877	6.6
225.12848	5.6
227.12541	24.5
229.12369	5.3
231.11787	4.2
231.13863	7.5
233.13356	6.5
233.15356	18.4
235.11139	4.4
235.14958	5.4
237.12805	7.6
239.14256	6.0
241.14287	6.3
243.11661	4.6
243.13837	4.8
245.15427	8.0
247.14844	5.3
249.12668	4.9
249.14871	6.5
251.14316	6.8
251.46964	4.4
253.15884	4.0
255.13785	5.4
261.16483	4.2
267.13657	3.7
267.15976	38.4
271.16968	4.2
273.14673	18.1
277.15970	3.3
279.13745	5.7
287.16583	3.1
296.10522	3.2
299.08600	3.4
308.10391	3.4
308.13947	3.9
310.16321	3.2
314.11722	3.2
317.10254	4.3
318.11014	4.8
319.16904	7.6
321.18420	7.1
323.12766	6.1
323.20258	4.9
327.12384	4.6
331.20612	4.1
337.14386	5.8
337.18283	5.7
338.14941	6.3
339.12384	5.0
339.23145	7.9
341.20901	4.2
349.21780	17.2
355.15286	8.8
357.24188	10.5
367.22723	47.6
368.23111	5.9
369.17136	9.4
370.17664	7.9
371.15167	3.7
385.18948	6.4
385.23764	89.4
386.24393	5.5
401.19553	25.7
403.24631	23.1
411.17871	6.0
413.24655	5.4
417.24548	4.8
431.25769	6.2
433.25784	7.5
441.24109	15.9
443.20557	38.1
459.27246	64.8
460.27307	8.2
477.26703	76.8
478.27786	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	8.3
55.01883	6.7
55.05515	21.2
57.03448	6.2
57.07092	3.2
61.02946	5.3
62.65825	1.7
67.05506	30.0
67.05830	2.3
69.03431	17.5
69.07080	10.3
71.05015	5.0
71.30237	2.6
79.05501	29.8
79.31725	1.7
81.03426	21.9
81.07064	41.3
81.07512	3.1
82.07388	2.4
83.04990	16.8
83.08617	9.7
85.02909	30.5
85.06590	3.2
87.04492	3.3
90.58717	1.9
91.05485	35.7
93.07047	30.6
95.04982	16.7
95.08617	28.5
97.02901	11.0
97.06542	11.4
97.10195	7.1
99.04504	5.5
105.07034	34.0
107.04980	8.9
107.08603	21.8
109.02955	3.6
109.06522	9.4
109.10173	13.3
111.04462	7.0
111.08139	6.0
115.05509	5.0
117.07022	10.9
119.04942	1.9
119.08588	23.0
121.06505	11.9
121.10141	15.5
123.08129	4.3
123.11755	5.3
125.09604	10.1
127.03983	8.0
128.06290	6.0
129.07011	13.4
131.04979	1.9
131.08559	25.1
133.06540	7.7
133.10133	21.6
135.08061	9.7
135.11713	13.7
137.06035	8.1
137.09642	4.4
137.13326	2.7
139.07660	4.1
140.71352	1.7
141.07068	7.0
142.07840	6.3
143.08578	19.9
144.09430	1.9
145.05025	6.3
145.06540	6.5
145.10126	16.4
147.04494	1.8
147.08096	7.8
147.11647	9.2
149.06079	3.5
149.09665	4.9
149.13338	3.6
151.07608	7.9
151.11241	2.3
153.07095	2.5
154.07855	2.8
155.08559	19.1
156.09396	3.6
157.06532	5.2
157.10132	18.9
158.07401	3.2
159.08044	8.7
159.11656	9.3
161.09627	15.4
161.13249	26.4
163.07654	2.5
163.11276	7.3
165.07043	6.2
165.09178	3.4
167.07137	14.2
167.08664	7.4
168.09372	2.8
169.10143	15.4
171.04597	1.9
171.08160	7.6
171.11678	9.5
172.08858	2.2
173.09612	20.5
173.13359	6.0
175.07619	2.1
175.11185	17.9
177.09140	3.2
178.07916	2.2
179.08632	6.6
180.09370	3.2
181.10106	9.8
182.10994	2.0
183.08141	3.1
183.11790	8.3
185.09744	6.1
185.13298	3.5
187.07620	2.4
187.11247	11.4
187.14879	2.4
189.09180	2.1
189.11203	2.3
189.12805	4.5
191.08623	4.6
192.09380	4.6
193.10271	9.9
193.12341	6.4
194.10976	3.0
194.63351	2.1
195.08095	3.8
195.11713	11.4
197.09663	8.7
197.13364	7.2
199.11172	9.2
201.09198	2.1
201.12891	7.2
203.08754	3.5
203.10635	2.3
204.09407	3.0
205.10286	5.0
205.12415	2.1
206.10976	6.0
207.11705	13.5
208.12526	2.2
209.09729	3.2
209.13387	7.6
211.11246	4.4
211.15034	4.1
213.09235	2.0
213.12811	4.4
215.10753	5.4
215.14404	4.7
217.10268	5.1
218.10951	2.9
219.11728	9.0
220.12532	3.7
221.09766	3.3
221.13388	8.5
223.11316	5.0
223.14856	2.8
225.12921	6.7
229.10141	3.4
230.10924	2.8
231.11737	6.5
233.09619	2.3
233.13307	5.2
233.15392	2.6
235.11324	5.2
235.14990	4.8
237.12849	5.8
239.14510	5.5
239.18111	3.2
241.12383	3.4
243.11775	4.2
243.13980	2.4
244.12498	4.3
245.13315	4.4
247.15041	5.5
249.12865	4.1
249.16522	2.7
251.14255	3.9
253.12239	4.1
255.14008	4.6
257.13431	3.7
258.14114	3.6
259.14951	6.5
260.15607	2.4
261.12830	3.3
261.16580	3.5
263.14459	2.6
265.12418	2.9
267.13977	5.0
273.16425	2.0
275.14426	4.1
277.16125	3.4
279.13895	2.8
279.21231	2.1
287.17786	3.5
291.17462	2.6
297.22137	36.0
297.25150	2.6
301.16220	2.8
315.23447	7.7
319.17325	3.2
321.18842	2.3
321.22510	2.3
327.17407	2.4
333.18774	4.1
339.23602	2.6
349.21674	4.6
357.24298	2.9
361.21820	2.8
367.22647	10.8
375.23322	2.3
385.23679	21.3
386.23862	2.1
395.24203	2.7
399.23563	3.1
403.24991	5.0
413.24768	11.2
415.26688	5.8
417.24854	3.7
423.23663	7.7
431.25980	15.5
432.26611	3.4
433.27582	6.4
441.24301	24.8
449.26941	2.5
459.25476	50.8
477.28159	100.0
478.27646	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2983
Annotation	4-O-alpha-Cadinylangolensin
Peak:m/z	Relative Intensity
50.14849	0.2
52.83755	0.2
55.05510	0.6
67.05505	0.6
69.07069	0.5
73.94404	0.2
79.05491	0.7
81.07055	1.1
83.04971	1.2
83.08638	0.3
84.82290	0.2
88.54603	0.2
91.05485	0.8
93.07037	1.2
94.37399	0.2
95.04980	0.5
95.08594	1.3
97.06563	0.2
98.23129	1.2
105.07047	0.9
105.19553	0.2
107.08611	0.8
109.06537	0.2
109.10175	0.4
111.04465	0.7
111.08068	0.5
115.05461	0.2
117.07001	0.3
119.08591	1.0
121.06501	0.3
121.10117	0.5
123.08018	0.3
129.07025	0.3
131.08582	0.7
133.06563	0.3
133.10107	0.9
135.08055	0.3
135.11734	0.3
143.08585	0.7
145.10120	1.0
147.08055	0.4
147.11687	0.5
155.08546	1.7
156.09251	0.3
157.10123	0.8
159.08031	0.3
159.11720	0.8
161.09630	0.3
167.07141	0.3
167.08582	0.4
169.10132	0.9
171.08029	0.3
171.11684	0.4
173.09659	0.4
173.13293	0.3
173.17055	0.2
175.11168	0.2
179.08638	0.5
181.10214	0.4
182.10934	0.2
183.11697	0.4
185.09595	0.2
187.11140	0.3
193.10139	0.5
194.10851	0.3
195.11713	0.8
197.09619	0.5
197.13257	0.5
207.11717	0.9
209.13316	0.6
215.10558	0.4
217.10231	0.4
219.11716	0.5
220.12453	0.4
221.13312	0.6
223.15012	0.3
225.12703	0.3
231.11774	0.3
233.13301	0.6
237.12741	0.3
239.14566	0.3
243.11612	0.3
247.14836	0.4
249.12769	0.3
249.16365	0.3
251.14392	0.2
259.14856	0.5
261.12558	0.3
261.16367	0.5
263.14417	0.4
263.17639	0.3
267.13998	0.2
271.17004	0.3
277.15997	0.2
291.17667	0.3
292.18207	0.2
323.19803	0.4
327.17599	0.3
329.36475	0.3
373.21362	0.5
385.21182	0.3
387.22757	1.1
401.24554	1.6
403.22464	2.1
417.24292	0.3
418.24808	0.5
419.25580	2.3
431.25912	0.8
441.24008	0.3
459.29141	5.3
460.29343	0.5
477.29803	100.0
478.30136	9.5
478.36981	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
54.85331	0.3
55.01870	0.6
55.05514	2.0
65.03924	0.5
67.05503	6.8
69.03413	1.1
69.07064	0.7
69.79619	1.4
71.04964	0.3
79.05483	1.8
81.03419	0.6
81.07062	5.3
83.04981	1.0
83.08651	0.5
85.06506	0.3
91.05477	1.4
93.07054	2.6
95.04983	0.8
95.08605	12.9
96.08976	0.4
99.08104	0.5
105.07047	2.8
107.04978	0.8
107.08593	1.0
108.05719	0.9
109.06519	0.6
109.09444	0.6
109.10155	8.7
111.04464	0.8
111.08084	0.7
113.09639	0.4
119.08598	1.3
121.06535	0.8
121.10114	0.8
123.08073	11.0
123.11706	5.3
128.06245	0.4
129.07025	0.4
131.08583	1.0
133.10127	1.0
135.08051	0.6
135.11639	0.4
137.05971	1.1
137.09616	2.3
139.07553	0.6
142.07777	0.3
143.08546	0.6
145.10161	0.9
147.11703	0.5
149.09569	0.5
151.07539	100.0
152.07901	2.6
153.62166	0.3
155.08612	0.5
155.10635	1.0
157.10143	0.6
159.08057	0.6
159.11697	0.6
161.09673	2.2
165.09119	3.6
167.07048	0.4
167.08530	0.4
169.10126	0.7
171.11649	0.5
173.09647	0.4
173.11713	1.2
175.11180	3.1
177.09149	1.9
183.11748	0.5
187.11163	1.0
189.09128	0.5
189.12695	2.2
191.10664	6.7
193.10196	0.4
197.09724	0.4
199.11217	1.0
201.11136	0.7
203.08676	0.4
203.10580	0.9
205.12224	3.9
207.11690	0.5
211.11218	0.4
213.12738	0.6
215.10661	0.4
217.12277	0.5
223.11327	0.4
231.13849	0.6
243.17540	0.5
259.14645	0.3
263.23990	0.4
275.23560	0.5
285.18439	0.4
293.24661	0.8
293.54138	0.3
303.19565	3.0
363.89743	0.3
395.29428	1.8
413.30426	2.6
431.31674	1.0
441.30017	0.6
459.25266	2.0
459.31082	0.9
477.26157	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
55.05517	1.3
58.40199	0.2
58.51320	0.3
65.03925	0.4
67.05182	0.4
67.05509	6.1
67.31532	0.3
68.22629	0.3
69.03423	0.9
69.07060	1.0
70.46158	0.6
79.05497	1.6
81.03429	0.4
81.07063	5.1
83.04977	1.3
83.08602	0.7
84.82442	0.3
85.06537	0.5
91.05489	1.7
93.07048	2.4
95.04968	0.8
95.08613	11.8
97.10145	0.4
104.24323	0.3
105.07035	2.7
107.04935	0.4
107.08584	1.0
108.05704	0.7
109.06490	0.4
109.09443	0.6
109.10164	8.7
111.04434	0.5
113.09647	0.5
113.82203	0.3
117.07021	0.5
119.08570	1.7
121.06454	0.4
121.10160	0.8
123.08074	10.6
123.11704	5.1
125.09566	0.4
128.06224	0.4
129.07024	0.5
131.08565	0.7
133.10121	0.6
135.08070	1.3
137.05942	0.6
137.09613	2.3
139.07561	0.7
141.07066	0.4
142.85358	0.3
143.08537	0.9
143.78719	0.3
145.06500	0.3
145.10138	1.1
147.08054	0.4
147.11690	0.3
149.13268	0.8
151.07545	100.0
152.06644	0.5
152.07860	3.0
154.61943	0.3
155.08560	0.8
155.10655	1.0
157.10100	0.6
159.07979	0.4
159.11679	0.7
160.08855	0.4
161.09607	2.7
163.14818	0.4
165.09108	4.0
166.09328	0.3
169.10155	0.6
171.11758	0.4
173.09616	0.7
173.11737	1.0
173.13066	0.3
175.11179	3.3
177.09067	2.0
179.08630	0.3
181.10121	0.5
183.10223	0.5
187.11223	1.0
189.08997	0.4
189.12778	2.0
191.08881	0.5
191.10672	8.4
192.10985	0.3
195.11731	0.3
197.09622	0.4
199.11186	1.3
201.11217	0.8
203.10632	1.0
204.74915	0.3
205.12230	4.4
207.11713	0.6
209.13141	0.4
211.11185	0.4
213.12811	0.6
215.10732	0.7
221.13281	0.4
231.13835	0.5
243.17447	0.6
245.15300	0.5
247.14912	0.3
259.14719	0.5
285.18335	0.7
287.20126	0.5
293.24713	0.7
301.16153	0.3
303.19669	2.4
319.17026	0.5
327.25458	0.3
331.58566	0.3
367.22531	0.4
395.29443	2.2
413.25418	0.5
413.30515	3.3
431.31689	1.1
441.24127	0.7
441.29779	0.6
459.25327	1.9
459.31219	0.7
477.26212	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50930	1.0
52.65376	0.9
53.03949	3.5
54.38492	0.9
55.01868	2.3
55.05511	12.2
57.03433	2.1
57.07090	4.9
59.05004	12.1
63.77975	0.9
64.27428	0.9
65.03957	1.9
67.05508	17.6
69.03431	3.3
69.07075	9.7
71.04998	1.7
71.08636	1.3
77.03925	1.3
79.05489	10.1
79.24920	1.0
81.07059	32.7
81.07526	2.0
82.07402	1.2
83.04984	6.2
83.08610	5.5
85.06545	3.5
85.63116	0.9
87.04448	0.9
91.05485	9.1
93.07050	22.8
95.04967	4.8
95.08612	32.9
97.06554	2.7
97.10178	3.7
98.22633	2.4
105.03367	5.3
105.04547	1.2
105.07021	12.9
107.04940	1.3
107.08591	13.6
109.06525	5.4
109.10164	20.5
109.10914	1.4
110.10526	1.0
111.04443	3.0
111.08091	3.7
111.11716	1.3
115.05482	1.5
117.07021	3.9
119.04936	1.4
119.08584	12.7
120.96620	1.6
121.06518	4.3
121.10137	9.3
123.08044	5.7
123.11709	12.2
125.06019	1.1
125.09621	2.6
128.06195	2.0
129.07019	3.4
130.30052	0.9
131.08574	5.8
133.06505	1.8
133.10139	6.9
135.08055	3.5
135.11717	6.9
137.05963	10.8
137.09627	3.6
137.13234	4.8
138.06851	1.5
139.03926	1.4
139.07515	5.6
139.11179	1.3
141.05473	7.1
141.06985	2.0
141.09155	1.3
142.07811	2.8
143.08559	5.7
143.10681	1.8
145.06633	1.0
145.10120	6.0
147.08058	3.2
147.11684	6.0
149.05984	6.1
149.09680	1.8
149.13297	4.8
151.07552	16.3
151.08742	1.0
151.11197	5.3
151.14825	1.0
153.05540	2.1
153.07005	1.6
154.07840	1.6
155.08536	4.6
156.09236	1.4
157.10106	7.2
159.08060	2.7
159.11678	5.6
161.05997	2.8
161.09604	2.8
161.13275	2.7
163.07518	2.0
163.11122	2.5
163.14830	2.4
165.05490	12.5
165.06856	2.0
165.09163	4.3
166.06152	1.1
166.07700	0.9
167.07047	100.0
168.07416	2.6
169.10133	3.9
171.11714	4.1
173.09627	1.7
173.13321	3.0
175.07579	3.0
175.11237	1.3
175.14854	1.5
177.09105	2.7
179.07082	4.0
179.08530	2.3
179.10675	2.2
180.09355	1.9
181.08624	3.2
181.10141	3.2
183.08095	1.5
183.11665	2.8
185.09579	2.8
185.13290	1.4
187.11183	3.2
187.14851	1.5
188.08275	1.0
189.09084	5.7
189.16309	1.3
191.07037	5.1
191.10706	1.3
192.07811	1.5
192.09308	2.4
193.08617	4.3
193.10207	3.0
194.10910	1.2
195.11742	3.5
197.09499	1.3
197.13322	1.4
199.11212	2.4
201.09177	2.8
201.12749	1.3
203.10689	4.4
203.17915	1.3
205.08585	8.3
205.10335	2.2
205.12312	3.6
206.10991	1.8
207.10057	7.3
207.11771	3.2
207.13603	1.0
209.13229	4.2
211.14847	1.2
213.09134	1.2
215.08824	1.2
215.10741	4.3
217.10413	1.5
217.12218	5.1
219.10107	2.8
219.11902	2.3
221.11497	2.5
221.13318	4.0
223.11183	2.3
223.14703	1.2
224.94125	1.0
225.12825	1.8
229.12273	1.3
230.10889	1.3
231.13858	1.5
233.11475	2.0
233.13438	2.7
235.14990	1.7
237.12729	2.3
239.14281	1.3
245.13113	1.2
247.13258	1.5
257.22757	1.3
259.14886	1.9
267.10132	1.1
273.16568	2.3
277.25320	1.3
281.11783	2.1
283.13412	2.3
293.18936	1.4
293.24860	1.6
301.19412	1.5
314.27618	2.4
319.16937	2.0
337.17914	1.9
349.17493	1.2
355.22501	1.5
357.24222	3.4
363.19342	2.2
375.25311	5.8
399.28720	1.1
403.26529	1.3
413.24738	2.0
415.26718	1.7
416.22537	2.1
423.28882	8.2
424.29062	1.3
431.25711	3.9
433.22488	1.9
433.27454	3.0
434.23627	14.7
441.24176	3.5
441.29987	16.3
442.30325	1.6
459.25195	8.4
459.30978	6.0
460.31985	1.2
461.27039	5.4
477.26315	30.0
478.26672	3.8
503.04926	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48857	1.6
55.01862	1.9
55.05508	12.7
55.83486	1.7
56.77095	1.6
57.07079	29.7
57.31017	1.6
57.71147	1.7
67.05505	8.7
67.37560	1.7
68.00768	2.2
69.07071	20.9
69.29520	12.2
71.08636	21.3
74.39815	2.1
79.05492	7.2
81.07056	19.6
83.03545	1.7
83.08618	13.4
85.10180	13.4
91.05513	4.0
91.46526	1.6
93.07060	6.0
95.04939	2.6
95.08601	17.8
97.06553	4.3
97.10178	10.0
99.04456	2.6
105.07034	8.1
107.04888	1.8
107.08599	7.6
109.06532	14.5
109.10165	10.7
111.04420	2.3
111.08067	3.7
111.11695	4.3
119.08585	4.5
121.06510	2.6
121.10150	6.0
123.08086	11.5
123.11716	4.9
125.05983	13.2
125.09620	2.2
127.07558	37.6
131.08554	2.8
133.10127	2.8
135.08038	2.9
135.11699	3.6
137.09602	4.5
139.07539	100.0
140.07816	2.7
145.10118	2.5
147.08066	2.4
147.11711	4.5
149.06027	4.3
149.09630	4.0
151.07538	6.5
151.11160	2.5
161.09694	2.6
161.13170	2.4
163.07521	3.5
165.09032	2.3
167.07022	4.5
174.27519	1.8
177.09111	11.4
203.14371	2.1
265.87317	1.9
287.87766	1.8
301.28943	3.8
319.29932	11.0
347.33023	13.8
348.33328	2.3
373.30920	6.0
417.37256	16.6
427.35519	2.7
445.36710	28.7
446.36948	2.5
477.25876	3.0
477.32721	2.8
477.39456	43.5
478.39688	4.8
497.61420	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	21.9
61.02912	9.1
65.82341	5.9
67.55593	5.2
69.03425	28.1
71.04990	37.7
71.30369	8.6
71.30788	8.2
73.02910	27.0
77.62778	5.0
85.02906	87.5
87.04462	9.6
88.56500	5.1
97.02885	34.7
107.04952	100.0
115.03926	30.1
120.08079	6.2
121.02812	7.2
127.03916	11.0
129.05486	21.7
132.91656	6.1
133.04959	18.7
136.25682	6.1
137.06012	7.6
145.04987	13.9
147.06496	14.6
149.05981	6.9
149.09624	30.6
151.03972	8.9
153.05452	8.7
160.07611	15.5
173.05998	5.3
177.05527	7.5
185.09770	6.9
244.09607	14.6
281.81641	5.6
317.06512	11.7
432.55582	7.2
465.76962	5.9
478.19318	22.2
478.25568	6.9
481.91232	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.8
54.32441	2.2
54.93310	2.2
55.01867	2.2
55.05511	4.8
66.95325	2.7
67.05511	6.8
69.07099	3.1
71.31789	2.8
79.05504	11.1
81.07068	9.5
83.04988	5.1
91.05482	20.2
92.01575	2.4
93.07056	10.1
95.04993	4.5
95.08621	5.9
99.04462	3.4
103.05477	51.7
105.07037	29.7
107.04933	2.8
107.08622	6.0
109.06543	3.8
111.08080	3.5
115.05483	5.2
117.07017	2.9
119.04945	11.3
119.08582	7.7
121.06474	3.3
121.10161	4.5
128.06306	3.4
129.07030	5.8
131.04932	100.0
131.08569	7.9
132.74002	2.4
133.06470	15.7
133.10139	8.4
135.08124	3.2
137.06036	11.7
143.08585	7.1
145.06479	2.4
145.10147	6.3
147.04453	12.1
151.07561	6.2
155.08549	4.7
156.09093	3.2
157.10146	6.2
159.08006	2.8
159.11737	4.6
161.05981	40.5
161.09677	3.5
163.07518	31.3
167.08527	4.0
168.09367	2.4
169.10165	7.1
171.11696	5.6
177.05669	2.4
179.07056	24.1
179.08501	3.9
181.10155	5.9
193.10179	3.4
195.11662	4.3
197.13266	4.0
199.07571	7.2
199.11249	3.7
199.14941	2.8
201.12489	2.5
202.07776	2.6
203.08609	2.9
203.10677	2.5
205.10088	4.0
207.11728	9.8
209.13286	5.0
219.11664	6.7
221.13362	5.4
225.12682	3.0
231.08052	4.8
232.12389	3.3
235.11023	2.6
235.14880	5.2
243.14072	3.5
247.14810	4.1
248.08209	3.2
249.16434	4.2
255.13800	2.6
259.10007	4.4
261.16428	3.3
267.13797	5.0
269.15390	4.2
275.17868	2.3
277.15924	2.5
291.10202	18.6
317.15533	2.9
323.12680	6.4
323.19974	3.1
351.12299	16.8
373.07901	2.5
419.21954	3.5
442.24396	4.2
460.25711	12.0
461.26642	7.6
478.27100	14.8
479.28549	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90654	0.9
55.01870	5.7
55.05515	3.3
57.03433	10.3
59.04996	1.3
61.02919	4.9
64.16405	0.9
69.03430	13.9
69.07066	1.1
70.47255	2.5
71.01340	1.7
71.04977	1.1
73.02915	10.5
79.05492	1.4
81.03407	2.3
81.41071	0.9
85.02903	39.1
87.04479	2.6
88.22524	1.0
91.03955	1.6
91.05515	2.0
95.04938	1.1
97.02894	18.7
97.06533	4.1
99.04437	2.0
103.03955	1.8
103.13982	1.0
105.07052	2.8
107.04955	100.0
108.05316	2.3
108.82225	1.0
109.02876	2.5
111.04453	1.1
115.03932	8.3
119.04946	1.0
121.06493	2.3
121.10160	3.3
127.03896	10.9
131.04939	4.4
131.08568	1.1
132.06583	1.4
133.04948	12.6
137.05971	1.2
139.03893	1.7
144.05731	1.4
145.04973	13.0
145.06467	2.2
145.10118	1.1
147.08101	1.3
149.05992	7.1
149.09618	30.0
150.07628	3.5
151.03975	1.2
153.01842	1.4
153.05449	1.3
157.06491	2.1
161.05983	1.3
161.09584	2.1
163.06029	3.8
167.07057	1.4
167.10634	3.1
173.06003	8.9
173.09636	3.8
181.05020	2.7
185.05965	1.2
185.09648	3.5
187.07672	1.0
191.10661	2.0
194.22745	1.0
197.09676	3.4
203.07057	3.7
207.10191	1.4
215.07115	2.4
215.10605	5.2
215.12459	1.1
217.12044	1.1
219.10416	1.3
221.08020	1.3
223.06007	2.0
223.09605	6.8
228.28549	1.0
233.08107	3.9
233.11737	3.5
239.10847	1.1
241.07184	1.8
245.11787	2.1
249.11223	2.7
257.11765	2.0
259.08154	2.0
267.12323	4.6
274.04849	1.3
275.12695	4.6
280.37173	1.0
281.13821	9.5
282.84201	1.0
295.10107	1.4
302.04205	1.5
317.06531	14.6
478.18387	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
53.64397	1.7
55.01876	11.5
55.05502	5.6
57.03436	28.2
57.07095	2.2
59.04979	3.0
61.02925	16.3
62.50059	1.9
63.97682	1.6
65.03939	1.9
66.37067	1.6
67.05502	14.3
69.03080	3.4
69.03432	46.3
69.07064	5.2
70.55796	5.3
71.01350	7.0
71.05000	4.3
73.02917	100.0
75.41472	1.7
77.68848	2.0
79.05465	10.0
80.05837	2.5
81.03410	8.6
81.07063	17.4
82.07375	2.6
83.04978	6.5
83.08610	2.5
85.02905	91.6
85.06528	2.1
87.04453	9.4
91.03970	4.1
91.05483	11.7
93.07047	35.1
93.92786	1.6
95.04958	6.0
95.08606	21.6
96.08932	3.4
97.02892	86.5
97.06490	2.2
97.10198	3.2
98.03141	2.2
99.04456	7.0
100.13702	2.0
103.03938	4.6
103.05493	2.2
105.07022	16.2
107.04931	3.6
107.08603	12.7
109.02881	11.1
109.06472	4.2
109.10158	9.2
111.04411	6.9
111.08070	5.1
115.03931	41.6
117.07001	5.9
119.04979	2.1
119.08592	10.6
121.06506	5.8
121.09293	3.2
121.10147	47.4
122.10459	3.1
123.04355	2.9
123.08047	11.8
123.11725	5.2
125.06010	3.0
125.09604	2.5
127.03914	33.0
131.08551	8.2
132.08881	2.2
133.04958	50.7
133.06467	2.3
133.10121	7.1
135.08037	3.5
135.11699	4.2
137.05988	9.2
137.09610	2.1
139.07550	2.8
139.11206	9.5
143.08578	3.4
144.06564	4.3
145.04953	40.8
145.06203	2.7
145.06451	1.8
145.10097	4.2
147.08028	3.0
147.11620	3.9
149.05977	4.0
149.09610	6.6
149.13248	3.0
150.07602	3.5
151.07544	75.3
152.07886	22.6
155.08569	6.3
157.10098	6.0
159.08055	2.8
161.09596	7.7
163.06009	13.1
163.07440	3.2
163.11140	3.8
165.05455	2.7
165.09161	9.2
167.07088	3.0
167.10629	13.6
169.10164	2.5
173.09633	3.9
175.07616	2.6
175.11137	5.0
177.09097	4.4
178.09468	2.2
180.08742	2.4
185.09589	2.1
187.11177	4.3
189.09053	4.0
191.10669	18.6
192.10999	6.3
193.04871	3.2
193.12247	2.2
199.11186	4.0
203.10667	2.9
205.12219	7.5
206.12543	5.1
217.12218	5.7
223.06001	5.9
225.12714	2.1
233.11662	2.8
234.13634	2.4
241.06931	8.8
245.11609	9.3
259.08121	5.2
281.13834	5.7
305.39169	2.1
317.06412	5.7
386.24106	2.9
414.30612	3.3
460.26883	2.8
478.26971	18.9
479.27521	7.5
480.93356	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.5
54.10802	3.0
55.01873	22.9
55.05519	10.1
55.05969	2.5
57.03438	26.9
57.07065	2.6
59.04997	5.9
61.02642	2.5
61.02915	16.6
67.05492	9.2
67.28035	2.5
69.03425	48.1
69.07068	4.6
69.39339	14.7
70.78929	3.0
71.01350	9.7
71.04980	4.6
73.02918	53.3
79.05502	16.8
81.03425	15.2
81.07050	22.6
83.04974	7.5
83.08640	4.4
85.02904	100.0
85.06559	4.0
87.04465	15.3
91.05486	13.6
92.05826	3.4
93.07052	38.4
95.04977	10.9
95.08601	20.1
97.02891	55.9
97.06509	3.1
99.04447	5.7
99.35262	3.2
103.03944	4.9
105.07018	13.2
107.04985	6.6
107.08612	21.7
109.02881	4.5
109.06541	5.5
109.10165	9.6
111.04450	8.9
111.08074	6.4
115.03931	35.2
117.07003	2.9
119.08593	8.6
121.06526	4.8
121.10147	64.6
122.10487	4.2
123.04424	4.7
123.08070	5.4
123.11665	7.7
125.09684	3.4
127.03918	25.8
129.07074	3.9
131.08572	9.5
133.04959	46.0
133.10146	5.0
135.08058	3.3
135.11687	3.9
137.05995	4.3
139.11186	9.5
143.08575	4.4
144.06589	4.0
145.04959	31.9
145.10135	3.8
147.08075	4.0
147.11620	3.3
149.09625	21.4
149.13280	25.3
150.07611	4.2
151.07587	9.2
151.14856	6.1
153.05371	3.7
157.10101	3.6
161.09650	4.1
163.06026	10.9
167.10680	49.1
171.11617	3.0
173.09441	3.2
175.11130	3.4
180.08730	3.7
201.73409	3.5
205.12234	4.8
211.11189	3.6
217.12265	3.7
223.06125	3.7
241.07146	6.8
259.08167	4.1
317.06497	7.6
362.55405	3.4
368.22989	5.3
378.23737	3.3
386.24118	5.1
430.00232	3.0
432.82358	3.1
452.37552	3.2
478.27798	5.9
479.28104	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.6
57.03445	8.4
61.02924	6.5
67.05504	2.5
69.03424	15.0
69.48503	4.3
69.48912	4.8
73.02926	18.3
79.05500	4.6
81.07063	3.5
83.04992	1.9
85.02913	27.9
85.54885	1.5
87.04466	3.6
91.05484	10.2
93.07044	9.5
95.04969	2.3
95.08613	3.2
97.02900	28.2
105.07021	4.0
107.04948	6.5
109.02879	2.6
111.04443	6.2
115.03940	12.9
119.04943	4.7
119.08631	1.7
121.06503	6.3
121.10103	7.3
122.03654	2.3
123.08054	1.9
127.03902	9.7
129.06987	2.9
131.04919	2.2
131.08578	2.8
133.02863	7.5
133.04976	19.0
133.06448	1.5
135.08047	2.6
137.05986	43.6
145.04987	13.1
145.06532	2.6
146.07263	1.5
149.05995	3.5
149.09641	13.2
151.07549	35.9
161.06001	12.6
163.06017	4.8
163.07512	4.1
165.05501	2.7
165.06998	1.8
165.09184	3.7
167.10687	100.0
168.11067	3.6
171.77013	1.5
175.07585	5.2
177.09129	4.0
189.09126	9.7
191.08600	1.6
195.10158	14.5
205.06641	1.5
207.10205	4.2
219.07959	3.3
225.09264	3.1
237.09102	4.8
241.07121	3.1
249.09253	1.6
251.10632	1.7
252.07915	2.0
253.08638	3.6
255.10117	2.1
257.46918	1.5
259.08105	2.0
261.91275	1.6
263.12836	1.8
265.08582	8.5
266.09552	1.8
267.69797	1.7
273.09070	1.6
273.64542	1.6
279.10248	3.6
283.09683	5.2
285.11203	6.7
295.10135	1.7
297.11209	12.0
297.14252	2.4
299.12756	2.5
303.05038	1.7
305.11697	2.1
308.92426	1.4
311.12787	5.7
317.06680	4.5
317.13629	3.6
323.12845	1.9
337.14340	1.7
479.19470	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.2
54.10827	0.9
55.01873	3.4
55.05514	1.5
57.03445	14.8
58.19124	0.9
59.05000	1.7
61.02925	2.5
67.05499	4.5
69.03426	7.1
69.07056	1.3
71.01373	1.2
71.03652	1.5
71.04994	69.7
71.52479	1.0
73.02917	9.5
75.04491	5.0
79.05499	3.4
81.03428	2.9
81.07066	5.6
83.05003	8.4
85.02905	100.0
87.04466	2.8
91.05479	3.9
92.66416	1.0
93.07049	16.3
95.04990	2.0
95.08615	8.0
97.02895	13.5
97.06528	1.4
99.04449	1.8
103.03972	1.5
105.07021	6.7
107.08592	11.4
109.02873	1.2
109.06519	2.1
109.10128	1.1
111.04438	9.3
113.06008	1.4
115.03942	5.0
119.08596	2.6
121.06531	1.4
121.10127	5.8
123.04415	0.9
123.08121	1.2
125.05989	1.4
127.03917	8.0
129.05479	35.9
131.08595	1.7
132.63393	1.1
133.04967	4.4
133.10156	4.8
135.08002	1.5
135.11697	17.5
137.05980	2.2
139.11113	1.0
143.08546	1.8
145.04971	7.8
145.10167	1.1
146.08195	1.5
147.06522	17.6
147.11658	1.3
148.51520	0.9
149.09639	4.8
151.07533	4.4
151.11174	1.6
152.07919	2.1
153.12761	4.5
157.10133	2.8
158.44858	1.4
159.11722	1.4
163.06050	2.2
163.11214	2.8
164.09169	5.5
165.12791	2.0
167.07063	1.2
167.10684	38.2
167.33652	1.1
168.11028	1.6
169.10257	1.4
175.14713	1.0
181.04939	1.4
183.11703	1.2
189.12808	1.3
191.10541	1.0
192.24100	1.1
201.12784	1.6
223.06036	1.5
241.07141	1.0
255.08768	1.5
263.16061	1.1
279.15958	1.4
391.19080	1.2
419.18524	2.4
444.55927	1.2
479.20621	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.01870	1.8
55.05513	4.6
55.09721	0.7
57.03436	12.2
59.05017	0.9
61.02905	2.2
67.05505	4.0
69.03426	6.3
69.07067	2.2
69.36972	4.8
71.01337	1.0
71.04993	70.2
72.05315	1.6
73.02914	5.4
75.04479	4.2
79.05492	7.2
81.03413	2.5
81.07063	7.3
82.07391	0.8
83.04987	9.8
84.04027	0.7
85.02904	100.0
85.06521	1.0
86.03236	1.7
87.04465	2.3
91.05468	6.2
93.07037	16.9
95.04964	2.9
95.08624	4.6
97.02891	7.7
97.06506	1.4
98.23380	1.3
99.04447	1.9
101.06001	1.2
103.03975	1.1
105.07029	5.3
106.07387	1.0
107.04942	1.0
107.08595	14.0
109.02881	1.3
109.06541	2.0
109.10186	2.3
111.04445	6.4
111.08059	1.4
115.03935	2.5
117.07025	2.3
119.08584	2.7
121.06504	2.2
121.10155	4.0
123.04421	0.7
123.08065	1.0
123.11710	2.6
127.03920	5.2
129.05478	30.5
129.07025	2.0
130.05890	0.9
131.08574	3.1
131.61288	0.9
133.04944	2.6
133.06531	1.2
133.10112	5.7
135.08038	1.3
135.11696	15.9
137.06004	2.5
143.08514	1.2
145.04938	4.0
145.10173	1.6
146.08130	1.4
147.06526	16.9
147.07748	1.3
147.11658	1.7
149.09602	1.7
149.13240	6.6
150.09804	0.7
151.07542	6.4
152.07881	2.5
155.08580	0.8
157.10112	1.1
159.08038	1.1
159.11740	1.6
161.13240	0.8
163.06091	1.1
163.11066	0.9
164.09198	5.2
165.09119	2.5
167.07071	1.1
167.10713	1.2
168.57626	0.7
171.11694	1.2
177.09088	3.2
177.12770	1.6
178.09537	1.2
181.04974	0.9
185.66107	0.8
189.08989	0.7
191.10670	4.0
192.11024	2.7
194.12656	0.8
205.12241	2.6
206.12636	1.8
219.11664	1.1
219.13673	1.0
237.07547	0.8
255.08711	1.2
272.16458	2.7
316.18933	1.5
352.41455	0.7
419.18503	0.8
460.26605	1.1
478.26538	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.28
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58818	3.5
51.21170	2.7
69.18941	13.7
69.19351	10.5
81.07054	12.8
91.05477	5.2
94.55053	3.0
98.23350	6.6
105.07001	3.6
109.06490	3.4
137.05931	7.3
172.08617	2.8
177.33907	3.1
192.09142	3.0
193.09924	5.3
193.26248	2.8
205.10170	3.9
207.11751	3.4
209.09464	4.7
221.09700	5.2
222.10065	5.3
224.11577	3.8
233.09616	4.8
235.11104	5.0
235.65598	3.2
236.08185	3.6
238.09485	5.7
244.11613	2.8
245.09552	4.8
245.13063	3.8
247.11142	4.8
248.11665	4.7
249.12804	4.0
261.12436	5.8
264.11118	4.3
269.19257	3.6
272.14932	3.5
276.11237	4.6
276.14786	5.2
291.13358	3.7
293.11841	3.5
304.14224	4.7
307.13281	5.8
315.12357	5.9
322.15817	5.5
323.12778	5.1
328.12979	5.5
331.11761	7.5
336.13074	3.8
338.15060	10.9
342.14551	10.2
344.12869	5.6
346.14133	12.5
352.16367	3.2
353.17407	11.0
353.94281	3.3
359.14883	5.2
369.17050	17.1
370.17377	4.0
373.16583	7.2
384.19382	45.7
385.20108	4.8
400.18863	6.9
402.17798	24.6
404.19409	3.9
415.21164	100.0
416.21869	3.9
419.18658	4.9
432.18567	7.6
460.18503	4.3
469.16064	3.2
478.19516	33.9
479.20224	3.9
479.27670	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63671	0.9
53.03939	1.0
55.05511	2.5
60.28863	0.8
65.03958	1.0
67.05517	5.2
69.03417	0.9
69.07066	3.5
71.05002	1.3
79.05495	2.4
81.07066	4.0
83.04980	6.1
83.08626	1.7
83.88000	0.9
86.74570	0.9
91.05483	5.2
92.60729	0.8
93.07057	5.5
95.04958	1.2
95.08619	9.9
96.08929	1.2
98.22989	5.6
105.07032	4.3
107.08614	3.2
109.06535	1.0
109.10166	2.8
111.04436	3.4
111.08067	2.0
117.07051	1.6
119.08596	6.3
121.06430	1.0
121.10120	1.2
123.08098	0.9
123.42809	0.8
125.09641	1.0
128.06244	1.1
129.06982	2.7
130.68068	0.8
131.08539	2.3
132.99037	0.9
133.06500	1.1
133.10117	4.0
135.08066	3.0
139.03793	0.9
139.07513	1.8
141.06969	2.0
142.07822	2.0
143.08543	4.6
145.10132	2.9
147.08018	1.1
147.11670	1.2
153.42415	1.0
155.08563	4.4
155.69347	1.0
156.09341	5.1
157.10133	3.0
158.10683	1.0
159.11678	1.9
161.09669	1.4
161.13301	1.1
167.08553	1.5
169.10101	4.9
171.11702	18.0
172.12129	1.2
173.13239	1.1
179.08569	1.2
181.10188	2.5
183.11711	2.7
185.13252	2.2
187.11169	1.9
189.12750	4.2
193.10165	2.7
194.10869	1.1
195.11697	3.6
196.12341	1.0
197.13322	2.8
198.13919	1.0
205.10207	2.1
206.10901	2.2
207.11650	3.1
208.12498	1.5
209.13263	4.0
211.11185	1.0
211.14790	1.7
217.10101	1.7
219.11717	3.3
220.12428	2.5
221.13271	4.8
223.11334	1.2
223.14957	1.7
230.10866	1.0
231.11650	1.8
232.12285	1.4
233.13248	2.8
235.14957	1.2
244.12498	1.1
245.13266	4.3
245.15511	1.1
246.13924	1.6
247.11047	1.2
247.14859	3.6
249.16246	1.3
259.14703	1.9
260.15445	1.6
261.16330	3.1
273.16431	1.4
274.17188	1.2
275.17886	3.9
276.18744	1.4
277.19788	1.1
287.18088	1.1
289.19412	1.3
301.19586	4.8
303.21014	1.5
304.21671	1.2
316.21695	4.7
316.45840	0.9
317.22791	1.1
321.18399	1.7
403.22375	1.0
415.26309	100.0
416.26660	8.9
432.25980	1.5
433.27451	7.9
434.27475	1.6
442.24536	1.2
443.25769	2.7
460.25626	3.0
461.26840	4.4
478.26620	7.5
478.33121	2.2
479.27786	3.9
479.34763	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67843	11.2
55.05505	23.9
57.07059	22.5
67.05504	14.1
69.07074	49.0
75.10905	12.3
81.07059	28.2
83.08654	20.9
91.05466	14.5
93.07035	25.9
95.08624	33.6
97.10174	17.0
98.22631	60.8
98.23362	53.2
101.33460	13.4
105.07002	22.8
109.06493	11.6
111.43844	11.5
119.08588	16.0
133.10175	16.9
137.05891	12.8
145.10188	15.2
148.31752	12.5
150.25528	11.7
151.07545	16.8
167.07062	100.0
171.11629	14.7
229.70168	12.4
415.26144	22.0
429.33572	36.7
478.26633	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.0
57.07076	5.6
63.79281	2.1
67.01857	3.2
67.05494	10.8
69.07067	9.8
71.05005	5.2
71.08620	3.0
71.29961	3.4
71.30321	2.2
79.05494	4.3
81.07046	15.5
83.04989	5.4
83.08624	6.9
91.05457	5.9
93.07044	23.4
95.08611	28.6
97.10168	4.2
99.08109	3.5
105.06989	5.2
107.08617	3.8
109.10176	13.5
111.08094	7.3
119.08597	5.0
121.10143	3.1
123.11708	7.1
127.07590	5.3
133.06477	2.6
135.08008	3.1
137.13257	5.4
139.07527	12.4
145.10117	4.6
149.13254	3.1
151.07559	8.6
151.14874	2.4
153.09125	7.2
157.10094	3.4
167.10670	2.4
169.08586	21.0
181.10063	2.4
181.12239	2.4
281.28436	3.0
282.64725	2.3
419.35193	100.0
420.35596	10.5
443.25589	2.6
461.27240	3.6
478.26898	4.2
479.27771	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14687	2.4
54.14536	3.0
69.94202	10.8
112.89614	39.9
114.89351	74.0
136.94029	100.0
148.95378	2.4
214.89374	6.5
246.46967	2.6
256.90512	4.0
256.98526	3.2
261.92502	3.4
266.34018	3.5
316.92743	3.3
358.93686	3.8
381.07886	37.0
382.08511	3.6
419.03619	32.7
478.97919	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1183
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03965	0.4
53.71968	0.4
54.57961	0.4
57.03420	0.7
61.02921	3.2
65.03937	0.5
67.23850	0.3
67.38972	0.3
69.03429	3.2
69.67399	1.2
69.67809	0.8
73.02914	1.4
78.26879	0.4
81.03407	1.2
85.02898	8.2
91.03947	1.2
92.02618	1.1
93.03401	1.2
97.02911	3.0
98.23303	0.7
99.04428	0.5
109.02873	1.2
121.02844	1.1
123.04399	0.5
127.03893	1.6
137.05962	1.2
139.03880	0.8
145.04953	1.0
150.03082	0.5
151.03920	1.0
151.07521	1.0
153.01825	8.2
161.05952	0.6
165.01826	0.7
188.17783	0.4
201.05389	0.8
203.03392	0.8
217.04997	1.1
218.05664	0.6
228.04150	1.5
229.04973	3.6
230.05600	0.4
233.95218	0.4
245.04518	1.6
246.05173	1.9
257.04474	2.7
260.03183	0.5
273.03979	2.1
274.04721	5.2
275.04993	0.6
285.03970	4.3
302.04202	13.5
303.04547	1.1
317.06540	100.0
318.06833	5.7
318.42007	0.4
440.35004	0.4
479.11801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1186
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03942	0.5
55.05502	0.8
55.18801	0.4
57.03430	1.0
59.87783	0.4
61.02930	7.9
67.05505	0.8
68.78925	0.5
69.03416	2.1
71.04993	1.3
71.30858	0.5
73.02908	4.4
77.36657	0.4
81.03387	0.5
81.07072	0.7
85.02907	9.7
86.03255	0.4
87.04465	0.5
91.03962	4.2
91.05504	0.5
92.02631	1.0
93.03402	1.8
93.07042	1.0
95.08600	0.6
97.02888	4.4
99.04499	0.5
99.82971	0.4
105.06997	0.7
107.04955	0.5
107.08609	0.5
108.59315	0.5
109.02850	0.4
109.10223	0.6
115.03943	1.4
121.02836	1.1
121.06559	0.5
126.03159	0.7
127.03915	1.4
133.04942	1.0
135.11748	0.5
137.05959	2.4
139.03894	1.0
145.04979	1.4
149.06006	0.7
151.03879	1.5
151.07544	1.0
153.01831	9.7
159.11668	0.5
161.05997	0.6
162.05507	0.5
165.01801	0.5
168.13914	0.7
170.35680	0.4
177.05492	0.9
183.04475	0.4
201.05406	0.5
212.46368	0.4
217.04938	1.4
228.04214	2.1
229.04993	3.9
245.04506	1.5
246.05222	1.8
257.04388	2.4
273.03903	2.4
274.04706	5.1
275.05414	0.5
284.03278	0.5
285.03970	4.8
286.04486	0.5
295.20282	0.6
302.04211	13.5
303.04517	0.7
317.06555	100.0
318.06848	6.8
329.06656	0.9
359.07681	0.8
362.19852	0.5
383.07706	0.5
479.12881	0.5
479.19498	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49078	0.2
55.01867	0.2
57.03421	0.8
57.31815	0.2
61.02931	6.5
69.03434	1.2
69.49546	1.1
72.52164	0.2
73.02920	1.5
73.23296	0.2
81.03397	0.6
85.02908	6.0
87.04514	0.2
91.03963	3.8
92.02621	1.1
93.03408	1.3
97.02898	3.1
99.04449	0.4
100.97162	0.2
105.61409	0.2
109.02942	0.2
109.10149	0.4
115.03937	0.4
121.02885	1.1
126.03139	0.6
127.03919	0.7
137.02383	0.2
137.05983	0.4
139.03923	0.9
145.04947	0.5
151.03938	1.1
153.01830	8.1
163.03935	0.3
165.01810	0.8
169.12263	0.2
177.05467	0.3
183.04413	0.3
200.04752	0.2
201.05510	0.9
203.03418	0.5
214.64861	0.2
217.04901	0.8
218.05791	0.5
228.04202	1.9
229.04935	3.2
230.05368	0.2
231.02846	0.4
243.06517	0.3
245.04515	1.3
246.05197	1.8
257.04477	2.5
259.31912	0.2
260.03317	0.3
261.07642	0.3
271.06042	0.3
273.04022	1.8
274.04715	4.1
275.05087	0.3
284.03323	0.6
285.03961	4.9
286.04544	0.5
288.06171	0.2
301.03543	0.3
302.04199	12.9
303.04733	0.9
315.05295	0.2
317.06549	100.0
318.06876	6.1
329.06436	1.0
341.06564	0.3
359.07620	0.6
383.07645	0.4
443.09805	0.2
479.11835	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66151	0.3
54.20531	0.3
57.03424	0.4
61.02924	7.0
69.03419	1.2
69.66998	1.9
73.02921	1.8
81.03413	0.7
85.02897	5.4
91.03953	3.4
91.05521	0.7
92.02612	1.1
93.03403	1.4
97.02898	2.9
121.02885	0.9
127.03938	0.8
129.06966	0.4
133.02867	0.4
137.02545	0.4
137.05925	2.4
138.03172	0.3
139.03880	0.8
145.04895	0.7
151.03908	1.1
151.07564	1.6
153.01823	8.2
161.05907	0.8
165.01817	0.7
175.07510	0.5
177.05435	0.6
189.09106	0.6
195.10095	0.4
201.05457	0.5
217.05095	0.9
218.05818	0.4
228.04172	2.3
229.04930	3.2
245.04446	1.3
246.05273	1.6
257.04318	1.8
273.03842	1.8
274.04675	4.9
282.76065	0.4
284.03027	0.6
285.03964	5.0
297.11194	0.5
302.04205	13.7
303.04599	0.9
317.06537	100.0
318.06882	5.5
329.06766	0.7
396.38898	0.4
463.97504	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1183
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03936	0.5
55.01863	0.7
55.05509	0.4
57.03428	1.1
61.02934	1.9
61.12324	0.3
65.03948	0.4
67.05500	0.5
68.99800	0.4
69.03429	2.8
70.37633	0.9
73.02911	1.2
79.05495	0.5
81.03413	1.8
81.07053	0.8
85.02902	7.9
91.03933	0.6
91.05489	0.6
92.02612	1.6
93.03406	1.7
93.07037	0.6
95.04963	0.6
95.08538	0.3
97.02888	3.0
99.04474	0.6
107.08599	0.7
109.02871	0.8
109.06503	0.4
109.10147	1.3
111.08116	0.4
121.02856	1.2
123.11720	0.4
126.03152	0.6
127.03908	1.2
133.10049	0.4
137.06000	0.6
139.03886	0.9
145.04962	1.4
151.03928	1.5
151.11150	0.9
151.80022	0.3
153.01822	9.8
165.01871	1.0
169.12238	2.8
195.00371	0.4
201.05490	1.0
203.03348	0.7
217.04947	1.2
218.05716	1.0
228.04166	1.9
229.04967	3.4
231.02840	0.6
243.06245	0.4
245.04388	1.7
246.05186	2.4
257.04456	2.1
260.03149	0.6
271.06277	0.3
273.03891	2.0
274.04681	4.9
275.05188	0.5
285.03915	3.5
301.03348	0.6
302.04181	17.2
303.04672	1.1
314.04437	0.4
314.07892	0.3
317.06537	100.0
318.06885	6.7
329.06564	1.0
359.07590	1.3
376.81815	0.3
383.07745	0.5
407.08395	0.4
479.16235	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.05514	74.9
56.05849	1.1
61.07743	0.5
67.05508	0.5
69.07068	0.5
69.52794	0.9
69.53198	1.6
73.06569	0.8
73.92918	0.5
75.04453	0.7
83.04984	100.0
84.05314	1.6
86.09719	0.5
93.07034	0.5
95.08635	0.6
97.06511	0.6
101.06007	1.2
105.03386	0.4
125.05970	1.4
129.05458	1.8
140.06232	0.6
141.06984	0.7
142.94780	0.4
153.05484	4.5
167.07092	0.8
168.05737	0.5
175.03867	1.2
178.07799	0.6
179.08516	0.5
189.06982	1.2
190.07829	0.7
194.07201	0.6
197.05830	1.0
198.06737	1.3
199.03822	0.8
202.07748	0.7
203.08496	0.7
205.06477	0.6
207.07947	0.9
213.05461	2.2
215.06964	1.2
218.07222	1.3
219.08002	1.7
222.06848	0.6
225.05417	1.3
226.06258	12.7
227.06627	0.8
231.07990	1.1
233.05957	0.8
233.09702	0.8
235.07442	1.4
237.09030	0.7
238.05792	0.6
239.06931	0.7
246.06793	1.2
247.07494	1.7
248.08212	1.2
249.05508	0.8
249.09062	1.1
250.06235	1.4
250.09596	0.7
251.06856	1.0
259.07367	0.7
260.08292	0.6
261.05640	0.5
261.09021	1.3
262.06253	0.7
263.06967	4.0
263.10040	0.7
264.07675	0.7
265.08594	2.2
266.05646	0.5
273.05350	0.6
274.06381	0.8
275.06912	2.1
276.07794	2.8
277.05273	0.6
277.08517	3.5
278.05753	1.0
278.09219	0.8
279.06339	1.6
279.09796	0.7
287.06845	1.5
288.07700	0.9
289.04895	1.3
289.08511	2.3
290.05524	0.7
290.09021	0.7
291.06372	1.5
291.09845	0.9
292.07278	0.7
293.07974	3.3
293.11588	1.1
294.08484	0.8
297.11108	0.5
303.06512	2.1
304.07239	3.3
305.08047	3.8
306.05301	0.5
306.08655	1.6
307.05957	0.8
307.09467	1.1
308.06732	0.5
308.10236	0.6
309.11081	0.8
315.06464	1.0
316.07401	0.8
317.07996	1.5
318.08633	1.4
319.06210	0.8
319.09589	4.1
320.10361	2.5
321.07410	4.3
321.11130	2.7
331.05719	0.9
332.06546	1.8
333.07516	2.8
335.09018	0.8
336.09918	3.3
337.10452	2.0
339.28763	1.8
346.08163	0.7
347.05121	0.5
347.09143	5.5
348.09735	4.3
349.06931	2.3
349.10672	2.5
351.08325	0.8
351.12277	10.1
352.12491	0.9
364.09387	3.4
367.11743	5.7
368.11533	0.5
369.13394	0.9
379.11768	18.8
380.11978	1.6
397.12881	6.6
449.15866	0.6
479.16446	1.7
479.27310	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23574	1.2
53.41575	1.3
68.82655	1.1
70.75978	3.1
71.04997	2.2
85.02923	3.4
97.02915	1.2
105.24672	1.3
115.05482	1.8
117.05810	2.0
123.04455	3.1
129.05510	1.6
132.08115	4.5
139.03935	1.6
160.07582	100.0
161.07950	2.8
163.03891	1.4
177.10237	8.5
264.91077	1.4
318.72476	1.5
448.26126	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2075
Annotation	Triamcinolone diacetate
Peak:m/z	Relative Intensity
53.03948	3.7
55.01863	3.8
55.05506	3.6
56.46308	0.8
57.03430	1.4
65.03941	2.2
67.05501	9.8
69.01207	5.7
69.01629	3.0
69.03429	8.6
69.07073	2.9
71.05000	2.4
79.05499	14.7
81.03432	2.4
81.07056	46.7
82.07378	1.0
83.04962	4.8
83.08645	1.5
85.02902	1.3
91.05480	15.6
93.07041	11.5
95.04972	18.7
95.08611	14.2
97.02878	7.0
97.06538	4.0
99.04469	5.3
103.05482	2.3
105.07028	13.7
106.04188	1.3
106.07413	1.0
107.04977	3.3
107.08584	8.8
109.02895	1.4
109.06519	29.5
109.10149	1.7
111.04453	2.6
111.08088	2.8
115.05442	5.6
116.06274	1.0
117.07036	8.7
119.04972	1.4
119.08588	11.4
121.06510	5.1
121.10159	3.1
123.04448	1.8
123.08070	11.9
125.06017	2.5
125.09642	0.9
128.06227	9.0
129.06999	8.3
130.07846	1.5
131.04935	3.5
131.08565	7.9
133.06487	7.0
133.10158	4.8
135.04445	1.2
135.08055	6.9
137.05975	33.9
137.09624	1.5
139.07533	2.2
141.06982	8.1
142.07790	3.8
143.05019	1.1
143.08569	14.0
144.05682	1.4
145.06480	40.7
145.10132	4.5
146.06970	0.9
147.04454	0.9
147.08057	10.4
147.11760	1.7
149.05978	2.5
149.09592	1.8
151.07596	4.6
152.06259	2.3
153.06970	5.6
154.07776	2.4
155.07166	2.0
155.08543	15.2
156.09277	2.8
157.06465	8.9
157.10124	6.4
158.07359	2.5
159.04315	1.1
159.08087	8.4
159.11717	2.2
161.05997	1.8
161.09628	5.4
163.07565	3.7
165.07016	8.2
165.09183	1.1
166.07784	4.2
167.07141	1.5
167.08545	10.0
168.09290	2.6
169.06476	8.9
169.10114	8.3
170.07228	2.4
170.10942	1.0
171.08057	23.0
171.09483	1.8
171.11737	3.5
172.08798	1.8
172.12207	0.9
173.06010	3.4
173.09674	5.0
174.10509	1.1
175.07587	3.8
175.11169	1.3
177.09175	3.2
178.07846	6.1
179.08553	12.1
180.09331	3.6
181.06482	5.1
181.10112	9.2
182.07330	3.8
182.10689	1.4
183.08047	18.9
183.11725	3.9
184.08798	6.0
185.06055	3.1
185.09622	10.5
185.13272	1.3
187.07581	3.4
187.11119	1.7
189.07028	1.2
189.09105	2.5
189.12761	1.1
190.07770	2.5
191.08611	7.5
192.09363	9.5
193.06505	1.5
193.08530	2.1
193.10117	12.2
194.07309	2.7
194.10796	2.6
195.08060	16.8
195.09784	1.5
195.11673	6.7
196.08781	4.6
196.12341	1.2
197.05991	3.6
197.09618	13.5
197.13179	1.9
198.10393	1.4
199.07527	7.2
199.11133	5.4
201.09190	3.7
202.07672	5.4
203.08563	7.7
203.10400	1.4
204.09338	4.8
205.06589	1.6
205.10146	11.0
206.07370	2.4
206.10916	3.7
207.08083	6.8
207.11702	9.2
208.08894	3.8
208.12224	1.7
209.09631	14.1
209.13234	4.7
210.10338	3.8
210.13815	1.0
211.07599	7.3
211.11148	8.1
212.08305	1.7
213.09126	5.2
213.12712	1.7
215.08655	4.1
215.10663	2.0
216.09410	3.9
217.10220	8.4
217.12149	1.4
218.07355	2.2
218.10826	5.6
219.08072	8.1
219.11647	9.4
220.08841	8.4
220.12427	1.8
221.06248	1.0
221.09622	17.2
221.13095	5.0
222.06871	1.2
222.10396	5.1
223.07622	3.2
223.11259	9.6
223.14868	2.1
224.08430	2.1
224.11844	2.6
225.09131	5.3
225.12654	4.1
226.13345	1.2
227.10635	4.7
228.09354	2.0
229.10139	2.4
230.10930	3.6
231.08063	2.9
231.11784	6.2
232.08893	5.5
232.12486	2.8
233.09634	16.9
233.13223	7.8
234.10275	5.3
235.07562	2.4
235.11169	23.3
235.14813	1.6
236.08311	1.8
236.11903	6.4
237.09067	8.3
237.12724	13.4
238.09837	2.4
238.13290	1.9
239.10667	4.3
239.14340	2.3
241.10182	2.3
242.10921	4.1
243.10249	4.2
244.08870	1.9
244.12511	2.0
245.09634	14.1
245.13429	3.6
246.10400	9.1
246.14021	1.7
247.11212	11.1
247.14731	5.8
248.08359	2.2
248.11964	3.2
248.15495	0.9
249.09096	4.8
249.12762	10.7
249.16405	2.0
250.09962	1.7
250.13513	2.9
251.10657	8.3
251.14369	7.1
252.11595	1.0
253.12347	5.8
253.15878	1.0
254.12970	1.0
255.10088	1.3
255.14130	1.0
256.12491	1.5
257.09744	1.6
257.13431	4.8
258.10413	1.9
259.11209	11.0
260.11905	10.0
261.09161	3.1
261.12820	15.4
261.16077	1.2
262.09875	1.9
262.13336	2.3
263.10736	18.9
263.14267	3.6
264.11316	5.0
265.08746	2.5
265.12537	6.0
265.15720	7.1
266.09531	0.9
267.10242	3.6
267.13849	2.8
269.09454	1.8
269.11874	2.1
270.10373	2.7
271.11255	3.8
271.14502	1.1
272.12112	1.5
273.09274	1.7
273.12778	5.1
273.15961	0.9
274.13507	3.9
275.10837	3.4
275.14371	16.6
276.11618	1.3
276.14978	2.5
277.12320	8.7
277.15921	3.9
278.13031	3.2
279.10428	8.3
279.13596	8.2
281.11752	14.3
281.14816	1.4
282.12320	1.5
283.09766	1.8
283.13434	1.4
285.12726	12.1
286.13486	2.4
287.10730	4.1
287.14224	2.3
288.11514	2.0
289.12308	4.6
289.15805	1.9
291.10526	1.7
291.13892	4.7
291.17319	1.8
292.14517	0.9
293.11838	3.2
293.15424	10.4
295.10074	1.6
295.13019	4.8
299.14359	1.5
301.15842	1.6
302.12949	1.7
303.10373	1.8
303.13800	17.4
303.17139	1.9
304.14221	3.1
305.11780	6.6
305.15054	1.4
307.13596	2.1
307.17004	1.6
309.11249	3.5
309.14960	2.8
313.12216	1.0
315.13904	2.1
317.11942	1.5
317.15442	4.8
319.13348	2.5
319.16983	2.2
321.14871	11.6
321.18439	1.3
322.15509	1.2
323.12717	6.4
324.13602	1.2
325.14569	1.3
327.17435	1.3
329.15488	1.1
331.13232	1.5
331.16934	1.4
333.14902	2.8
335.12805	1.4
335.16434	4.0
337.14420	2.1
337.18140	1.6
339.16574	1.2
341.13782	8.5
343.13254	1.8
345.14856	4.4
346.15302	1.2
347.16415	2.0
349.14362	1.5
351.16022	2.0
353.17661	1.9
355.16830	3.1
357.14798	1.7
359.12506	1.4
359.16507	2.9
361.14584	1.3
363.15836	7.0
363.19440	1.1
365.17773	2.1
373.13718	1.3
373.17993	10.9
374.18399	1.5
375.16013	2.9
377.17813	4.1
379.15872	1.1
381.16971	17.4
382.17532	1.9
383.16238	5.4
384.16791	1.1
391.19104	14.8
401.17484	25.6
402.17838	2.5
403.15469	4.8
409.20197	1.6
415.19147	5.1
415.25690	1.5
417.20541	4.7
419.18506	100.0
420.18793	9.9
421.16373	4.1
433.20123	3.1
433.26358	1.6
435.21802	12.9
435.28671	2.0
436.22220	1.7
437.19711	2.3
443.18579	8.7
443.25647	5.5
451.21097	1.8
461.19666	22.3
461.26663	6.3
462.19922	1.3
479.20724	67.6
479.27881	6.1
480.20929	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.6
55.05516	6.1
67.05514	15.2
69.03413	10.6
69.07075	5.8
71.04990	2.6
71.32110	3.1
79.05493	17.7
80.05823	2.3
80.72582	2.1
81.03463	2.1
81.06583	3.1
81.07059	62.8
82.07396	4.7
83.04985	14.2
84.05325	2.5
85.94380	2.3
91.05476	21.8
93.07059	16.5
95.04980	18.2
95.08604	23.9
96.08936	2.2
97.02893	13.6
97.06558	2.5
99.04477	6.9
103.05460	5.1
105.07021	18.1
107.04955	2.3
107.07919	2.3
107.08579	11.1
109.06522	35.2
109.10158	2.8
111.04451	5.6
111.08083	9.7
111.93572	2.1
115.05476	8.2
117.07052	13.4
119.04984	2.4
119.08578	17.1
121.06522	8.6
121.10232	3.3
123.04455	3.9
123.08064	15.9
125.05965	4.5
128.06226	13.4
129.07008	18.1
131.04955	7.0
131.08580	11.6
133.06522	9.1
133.10115	10.7
135.08049	8.6
137.05975	56.5
137.09656	2.6
138.06407	3.5
139.07597	3.3
141.06987	13.7
142.07787	4.8
143.08548	16.0
145.06491	30.8
145.10129	8.8
146.07008	2.8
146.75403	2.2
147.08064	9.7
147.11685	2.7
149.09601	3.2
151.07558	4.6
152.06236	4.8
153.06992	9.0
154.07761	7.0
155.07159	4.1
155.08542	31.5
156.09224	3.7
157.06497	8.8
157.10167	12.8
158.07291	4.0
159.08073	16.4
159.11726	4.4
160.12054	2.7
161.05940	3.2
161.09666	5.4
163.07565	9.3
165.06972	15.5
166.07764	5.7
167.08551	10.9
168.09300	3.2
168.59085	2.2
169.06505	11.2
169.08765	3.4
169.10155	12.6
170.10678	2.8
171.08060	26.9
171.11679	8.8
172.08769	2.2
173.05949	3.4
173.09645	6.2
175.11220	2.8
177.09142	4.9
178.07767	9.7
179.08528	18.3
180.09389	5.9
181.06494	5.4
181.10104	14.4
182.07237	4.6
182.10732	3.2
183.08064	23.7
183.11713	9.1
184.08803	4.3
185.05977	4.2
185.09610	15.3
187.07637	3.8
187.11214	3.6
190.07765	4.8
191.08566	8.3
192.09326	9.1
193.10136	19.0
194.07265	4.2
194.10706	3.1
195.08072	22.3
195.11699	9.7
196.08792	8.1
196.12357	2.9
197.06052	2.9
197.09554	16.1
197.13452	2.5
198.10229	3.7
199.07703	5.2
199.11127	4.4
201.09212	4.1
202.07858	6.2
203.08665	12.5
203.10295	2.4
204.09369	6.3
205.10107	14.9
206.10854	6.2
207.08028	9.5
207.09927	3.2
207.11678	16.5
208.08876	5.3
208.12321	4.7
209.09576	19.2
209.13330	6.9
210.10356	3.4
211.07455	10.4
211.11226	6.3
213.09119	6.3
215.08563	6.3
215.10567	5.1
216.09300	6.3
216.11127	2.5
217.10060	11.0
217.40633	2.5
218.10886	6.4
219.08093	10.2
219.11641	13.6
220.08826	7.4
220.12326	3.2
221.09628	18.8
221.13232	8.0
222.10344	5.5
223.07610	6.4
223.11188	16.9
223.14818	4.1
224.08392	2.7
225.09090	8.7
225.12787	5.9
229.10156	2.7
230.10924	4.7
231.08076	5.4
231.11725	10.6
232.08766	5.6
232.12396	3.6
233.09715	14.0
233.13235	11.2
234.10425	7.3
235.07695	5.3
235.11201	28.4
235.14807	2.7
236.08441	2.2
236.11864	6.9
237.09157	8.5
237.12726	14.0
237.16357	3.6
238.13306	2.4
239.10661	6.1
239.14294	4.3
241.10240	2.5
242.10966	4.2
243.11800	4.4
245.09615	16.8
245.13188	5.6
246.10365	7.4
247.11148	17.8
247.14815	10.7
248.08339	3.3
248.11845	3.2
249.09033	4.4
249.12807	16.7
249.15326	3.6
250.13396	3.3
251.10686	8.2
251.14340	8.0
253.12334	6.7
257.13403	4.2
258.10287	3.2
259.11246	15.4
259.14645	3.7
260.11975	6.8
261.08997	3.9
261.12735	15.3
262.10016	4.5
262.13455	4.1
263.10681	18.6
263.14240	6.6
263.17743	2.6
264.11298	6.1
265.08630	3.3
265.12250	11.5
265.15936	9.8
267.10089	3.8
267.13858	5.2
267.17331	2.2
269.09271	2.8
270.10397	3.7
271.11093	3.4
271.14636	2.5
272.11804	3.0
273.12683	5.4
274.01788	2.2
274.13531	4.2
275.11221	4.6
275.14322	19.5
275.17154	4.0
276.14981	3.3
277.12250	15.0
277.15793	6.1
278.12976	2.6
279.10223	12.9
279.13788	9.3
279.17123	3.1
281.11639	21.8
283.13351	3.2
285.12708	11.2
285.15796	2.7
286.13321	3.7
287.10727	4.1
289.15765	4.0
289.19003	3.6
291.13757	4.8
291.17236	2.4
293.12088	4.0
293.15372	15.7
295.13474	6.0
299.14407	3.4
301.15729	3.4
303.13773	16.0
303.16919	3.7
305.11737	12.7
307.13474	3.9
309.14798	4.5
317.15335	5.3
319.13416	5.6
319.16916	5.3
321.14957	13.5
321.18045	3.1
323.12762	5.6
327.17505	2.7
333.14838	3.2
335.16531	4.4
337.18069	2.9
341.13794	4.3
345.14737	6.4
345.18613	4.0
353.17603	5.5
357.14844	5.3
359.16409	3.8
363.15857	5.2
373.18066	10.0
374.18207	2.6
375.15472	3.7
377.17490	3.0
379.16122	2.6
381.16959	16.0
383.16473	3.6
385.14511	3.7
391.19138	19.6
397.18121	3.7
401.17346	25.3
403.15347	9.9
415.19183	4.3
415.26273	4.1
419.18521	100.0
420.18900	7.6
421.16333	4.7
425.24680	3.7
433.20367	4.6
433.26535	4.9
435.21567	6.2
435.28662	2.4
437.19595	4.5
443.18555	7.7
443.25470	17.7
461.19574	24.0
461.26544	24.3
479.20584	78.6
479.27713	27.8
480.21045	9.2
480.28436	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.6
51.73880	0.5
53.03941	1.7
54.05207	0.6
55.01867	2.0
57.03416	1.1
61.02926	0.8
65.03941	1.8
66.04718	0.9
67.05506	1.9
69.03435	2.4
73.02914	2.0
73.97007	0.5
77.03957	1.0
79.05502	4.1
81.03413	1.1
81.07059	2.7
85.02917	3.9
87.05556	0.7
89.03913	1.2
91.05486	25.2
92.05848	0.8
93.07051	3.2
94.04195	5.1
95.04977	5.5
95.08618	1.4
97.02882	1.8
103.05473	4.6
105.03396	2.4
105.04548	0.7
105.07047	6.5
107.04955	9.3
107.08588	2.0
108.05777	1.4
109.06515	4.4
111.04440	0.8
115.03923	0.9
115.05460	5.9
116.06298	0.9
117.03395	0.9
117.07049	5.2
118.04173	0.9
119.04954	11.5
119.08582	1.3
121.02840	0.8
121.06523	8.6
122.02804	1.2
122.03645	11.1
123.04444	2.2
123.08067	5.8
127.03944	1.6
128.06241	3.5
129.07007	9.1
131.04935	6.3
131.08566	3.0
133.02856	20.9
133.04924	1.5
133.06476	3.2
133.10194	0.6
134.48486	0.7
135.04376	1.5
135.08078	3.2
135.55295	0.6
136.05197	3.1
137.05981	100.0
138.06287	3.0
139.07544	0.8
141.07031	0.9
143.04916	2.2
144.05737	0.8
145.06491	3.7
146.03648	1.9
146.07243	1.7
147.04367	1.3
147.08075	1.8
148.05206	1.7
149.05974	6.4
149.09637	2.7
150.06792	1.4
151.03957	4.9
151.07544	68.9
152.06171	1.4
152.07877	1.9
153.01848	0.6
153.07008	1.2
155.08617	0.7
157.06482	4.1
158.07329	0.9
159.07997	1.2
160.05183	0.8
161.05988	33.2
161.09599	5.6
162.06734	1.3
163.07532	8.6
165.05495	2.0
165.07011	4.9
165.09120	4.8
166.07767	1.2
167.08566	1.4
167.10687	4.2
168.11035	3.6
169.06450	1.0
174.06795	3.5
175.07556	9.9
176.06201	1.0
176.08156	0.8
177.05493	1.6
177.07004	2.1
177.09105	7.6
178.07787	1.7
179.08583	2.2
181.06441	3.5
182.07272	2.4
183.08043	1.0
187.07591	2.0
189.05501	0.8
189.07266	1.3
189.09108	18.6
190.07793	1.2
190.09387	0.9
191.07076	0.8
191.08566	3.8
191.10504	1.4
193.06499	2.5
193.08495	0.9
194.07280	3.1
195.08110	5.8
195.10187	27.5
196.08768	0.7
196.10527	1.2
197.05986	1.9
197.09674	0.6
198.06725	0.7
199.07536	1.8
203.08606	1.0
205.06503	5.4
205.08597	1.9
206.07224	1.5
207.08070	3.6
207.10184	8.9
208.08780	1.5
209.06139	1.5
209.09650	1.8
210.06743	3.4
211.07539	2.8
212.08295	0.7
213.09105	2.0
217.06537	1.0
218.07286	1.9
219.08058	7.4
220.08760	1.5
221.05998	4.5
221.09554	1.7
222.06718	3.1
223.07521	5.1
223.11099	1.2
224.08308	3.6
225.05417	1.7
225.09079	4.6
227.07098	2.6
227.10658	1.3
233.06042	3.2
233.09653	0.8
234.06763	2.2
235.07568	2.6
236.08299	2.0
237.05505	1.2
237.09090	8.4
238.06294	1.9
238.09866	1.4
239.07045	2.3
239.10646	2.0
240.07816	2.2
241.08566	3.7
242.09384	1.0
245.09540	1.7
247.07489	3.7
248.08267	1.6
249.05487	0.7
249.09134	2.6
250.06268	1.8
250.09885	0.9
251.07021	3.4
251.10660	3.7
252.07706	1.3
253.08504	8.5
254.09279	1.0
255.06616	1.8
255.10110	4.3
256.07083	0.8
261.09464	0.7
262.09827	0.6
263.07254	0.8
263.10605	1.0
264.07779	3.0
265.08612	17.6
266.09161	2.1
267.10184	5.6
268.07291	1.7
269.07779	3.0
269.11670	1.8
270.08893	2.6
271.09717	1.1
273.08884	1.2
273.11453	1.3
274.09787	1.0
277.08615	2.5
277.12036	1.2
278.09409	1.1
279.10126	8.7
280.10669	1.4
281.08057	1.3
281.11719	1.2
282.08835	1.0
283.09637	7.9
284.10422	2.0
285.11215	11.9
286.11630	1.0
287.12839	1.4
291.10141	0.8
295.09921	0.9
295.13455	1.0
296.10608	1.8
297.11276	19.5
298.11923	2.7
299.12784	2.1
302.04285	2.5
303.04785	1.4
305.11649	3.1
309.11258	1.9
311.12881	12.1
317.06607	5.4
317.13718	7.5
318.06662	0.9
322.12103	0.7
323.12909	3.7
325.14230	0.9
327.10056	1.0
329.13828	2.9
337.14490	5.6
341.13821	2.4
355.15509	3.6
359.12497	0.8
369.11224	0.9
397.14383	0.7
403.15558	1.1
429.16953	1.2
433.16089	1.1
435.18143	1.4
447.18204	0.7
461.19971	1.3
479.12387	1.1
479.20258	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2064
Annotation	Triamcinolone diacetate
Peak:m/z	Relative Intensity
51.93083	0.5
53.03942	1.9
55.01863	1.9
55.05502	2.0
58.03116	0.5
62.14511	0.5
65.03933	1.4
67.05509	4.3
68.42398	0.5
68.99798	0.7
69.03429	12.9
69.07066	0.9
69.18743	4.2
75.11620	0.5
79.05492	20.2
81.03412	1.4
81.07058	100.0
82.07397	1.4
83.04965	1.9
83.08606	0.7
85.02897	0.8
88.69867	0.5
91.05485	9.0
93.07053	6.0
95.04976	3.5
95.08614	8.1
97.02917	1.3
97.06529	3.3
101.00449	0.5
103.05518	0.8
105.07032	7.0
107.04962	2.2
107.08577	3.8
109.02893	0.8
109.06517	29.7
109.10143	0.8
110.06853	0.9
111.04459	2.2
111.08096	1.7
113.02364	1.1
113.84631	0.6
115.05462	1.5
117.06311	0.6
117.07007	3.2
119.04940	1.5
119.08590	6.1
121.06526	3.4
121.10094	0.9
123.04422	1.3
123.08073	5.4
125.05981	0.8
125.09668	0.6
128.06213	3.0
129.07013	5.0
130.07793	0.6
131.04892	1.2
131.08556	4.9
133.06493	2.3
133.10139	2.4
135.04430	0.7
135.08099	2.8
137.05975	99.4
138.06329	3.2
139.07503	2.4
141.06992	3.2
142.07797	1.9
143.08553	4.6
144.05699	1.1
145.06473	6.4
145.10104	2.8
147.08044	8.2
147.11613	0.5
149.05980	1.5
149.09637	0.9
149.13203	0.5
151.07570	2.4
152.06235	0.8
153.05449	0.5
153.07001	1.9
154.07793	1.4
155.08527	6.1
156.09352	1.0
157.06511	2.7
157.10117	2.6
158.07297	1.2
159.04330	0.7
159.08037	3.8
161.06017	1.7
161.09610	2.2
163.07538	1.6
165.06976	5.3
165.09160	1.4
166.07829	3.0
167.07043	2.2
167.08569	5.2
168.09271	1.1
169.06465	1.5
169.10126	4.3
170.07199	0.6
171.08063	6.1
171.11682	2.3
172.08817	1.0
173.05988	1.8
173.09647	2.2
175.07559	4.1
175.11270	0.9
177.09111	1.8
178.07816	2.4
179.08513	5.8
180.09308	2.3
181.06497	2.3
181.10094	5.2
182.07326	1.6
182.10841	1.4
183.08028	4.6
183.11633	2.8
184.08830	1.6
185.06021	1.8
185.09576	3.7
185.13223	0.7
187.07530	2.2
187.11241	1.0
189.06987	0.5
189.09169	1.0
190.07787	1.4
191.07068	1.1
191.08556	2.9
192.09326	3.5
193.10135	6.0
194.07231	1.7
194.10922	1.3
195.06540	0.8
195.08054	5.2
195.11713	3.1
196.08806	1.9
197.06024	1.0
197.09616	5.4
197.13239	0.9
198.06674	0.5
198.10237	1.0
199.07559	1.7
199.11157	2.6
200.12050	0.5
201.09138	1.9
201.12714	0.8
202.07822	1.7
203.08603	2.6
203.10672	0.6
204.09308	1.6
205.06541	0.8
205.10182	4.0
206.07285	0.9
206.10899	1.7
207.08185	3.0
207.09941	0.9
207.11711	4.9
208.08836	2.0
208.12463	1.1
209.06009	0.7
209.09631	7.0
209.13292	2.0
210.06781	0.6
210.10306	1.8
211.07558	2.7
211.11182	4.4
212.11797	0.9
213.09142	2.5
213.12677	1.4
215.08731	1.1
215.10616	1.1
216.09387	2.0
217.10161	2.5
217.12206	1.1
218.10872	1.6
218.69151	0.6
219.08179	3.4
219.11725	4.7
220.07028	0.6
220.08859	3.2
220.12517	1.8
221.09662	7.1
221.13249	2.0
222.10394	1.9
223.07541	2.0
223.11186	4.4
223.14806	0.6
224.08394	0.8
224.11855	1.0
225.09108	2.0
225.12730	3.1
226.13452	0.9
227.07004	0.7
227.10570	2.5
227.14256	1.0
228.09279	1.0
229.10173	2.1
230.10857	2.4
231.08057	1.4
231.11699	1.7
232.08875	1.2
232.12517	1.3
233.09689	2.6
233.13295	1.5
234.10367	1.7
235.07588	1.5
235.11174	9.4
235.14911	1.3
236.08279	0.8
236.11919	4.3
237.09175	3.9
237.12727	5.3
238.09877	1.4
238.13423	0.8
239.10693	4.0
239.14319	0.9
241.12309	1.4
242.10921	0.8
243.11731	2.1
243.13974	0.6
244.08762	0.7
244.12334	1.2
245.09732	2.9
245.13283	2.3
246.10342	3.2
246.14098	1.0
247.07471	0.8
247.11212	4.4
247.15057	1.3
248.08325	0.9
248.11975	1.0
249.09140	2.9
249.12802	3.1
249.16292	0.5
250.09871	1.0
250.13474	0.9
251.10690	2.6
251.14342	2.0
252.11520	0.7
253.12236	4.6
253.16008	0.8
254.12872	1.5
255.10019	1.1
255.13882	1.4
257.13336	1.1
258.10376	1.1
258.13959	0.6
259.11182	2.1
259.14825	1.5
260.12054	1.8
260.15604	0.7
261.09210	1.4
261.12778	4.0
261.16299	0.7
262.13507	0.6
263.10709	7.4
263.14273	3.2
264.11444	6.4
265.08630	1.3
265.12238	6.0
265.15884	1.6
266.09433	1.2
266.12778	0.7
267.10193	2.2
267.14005	0.7
270.13956	0.7
271.11063	1.2
271.14905	0.8
272.11951	1.1
273.09360	0.5
273.12769	2.9
273.16003	0.5
274.13538	1.1
275.10776	0.9
275.14212	1.5
276.11688	0.6
277.12228	3.1
277.15439	1.0
278.13080	0.8
279.10208	1.3
279.13788	2.3
280.14740	2.5
281.11694	10.4
281.15109	1.2
282.12521	4.6
283.10132	1.0
283.13339	2.5
285.12640	2.6
285.16232	0.9
287.10855	1.2
287.14288	1.6
288.11603	0.7
289.12189	1.6
289.15524	0.9
290.12909	0.8
291.10413	1.0
291.13834	3.6
294.13831	0.7
295.13434	1.5
297.15179	1.0
298.15756	1.8
299.14352	0.7
299.17798	0.7
301.12552	0.8
301.15897	1.2
301.19421	0.6
303.13846	1.8
303.17169	0.6
305.11914	1.5
305.15436	1.3
306.12546	1.8
307.13248	2.1
307.16946	1.5
309.11304	1.3
309.15079	2.0
312.15091	0.9
313.12173	0.6
313.15683	0.9
315.13754	1.8
317.15482	0.7
319.16852	1.1
321.14999	1.1
322.13242	1.0
323.12814	3.7
324.13568	4.8
325.14359	2.8
325.18137	1.6
327.17386	2.3
329.15494	1.0
331.13263	1.5
331.16867	1.2
333.14920	2.1
337.15906	1.2
340.14493	0.7
341.13922	5.4
342.14566	6.6
345.18524	1.7
347.20059	1.2
349.14383	1.0
349.18134	0.8
351.16022	3.3
355.16962	2.7
357.14853	0.9
359.16592	1.6
361.14111	0.6
363.19797	0.9
365.15479	0.8
367.15396	0.6
369.17352	0.6
371.20129	0.7
373.13770	0.6
373.18033	7.1
375.15933	1.7
375.19696	1.5
377.17606	0.9
379.16562	0.8
381.16904	0.6
383.16492	4.1
387.19476	0.7
389.21320	1.2
391.19022	7.0
392.19482	0.8
397.17975	2.1
399.19635	1.5
401.17511	13.4
402.17804	1.5
402.84238	0.6
407.22800	0.7
415.18982	3.1
417.20541	4.4
419.18500	63.2
420.18881	5.8
421.16412	0.9
425.17444	1.7
433.20068	3.5
435.21918	8.5
436.21954	0.7
437.19672	1.7
443.18582	7.3
451.20883	0.7
461.19690	16.2
461.26834	1.5
462.19742	2.2
479.20697	20.9
479.28055	3.2
480.20892	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01878	1.4
55.05502	2.7
57.03426	1.6
65.03932	2.1
67.05512	5.3
69.03418	1.7
69.07062	1.5
69.11624	5.5
79.05485	8.4
80.05824	0.8
81.03422	1.8
81.07060	7.2
82.07389	0.8
83.04975	1.9
85.02892	2.1
85.06554	0.9
85.42432	0.7
91.05482	22.8
92.05814	1.2
93.07041	9.6
94.04191	3.8
94.07318	0.9
95.04984	4.9
95.08604	4.0
97.02898	1.0
97.06532	0.9
97.10168	1.4
103.05460	2.8
105.04498	0.7
105.07029	7.2
106.74940	0.7
107.04977	3.3
107.08605	5.7
108.05739	2.4
108.08914	1.1
109.06493	4.7
109.10095	1.6
111.04458	1.2
111.08117	0.9
115.03925	0.9
115.05460	5.6
117.07027	5.2
119.04943	11.4
119.08590	3.9
121.06503	7.1
121.10148	3.2
122.03648	8.8
123.04440	0.8
123.08092	7.4
123.11723	1.0
125.05963	1.1
128.06226	2.3
129.07018	5.8
131.04897	3.4
131.08574	3.2
133.06487	2.4
133.10109	2.1
135.04485	0.8
135.07133	0.9
135.08006	4.9
136.05182	4.5
137.05974	100.0
138.06331	2.2
139.07545	0.7
141.06982	1.0
142.07817	0.8
143.04921	2.6
143.08565	2.0
144.05722	0.9
145.06494	4.6
146.07198	1.0
147.04443	0.8
147.08049	1.6
147.11717	1.5
149.05972	4.3
149.09610	3.0
149.13280	1.7
150.06696	1.4
151.03969	3.2
151.07542	68.2
152.07903	1.7
153.07024	1.4
155.08540	2.1
157.06480	4.7
157.10098	1.1
158.07133	0.7
159.08063	1.1
159.11688	1.2
160.05161	1.0
161.05989	22.4
161.09593	4.1
162.06647	1.5
163.07536	7.2
165.05721	0.7
165.06985	3.6
165.09070	3.8
167.07123	1.5
167.08557	1.8
167.10765	1.1
169.10098	0.8
171.08006	0.9
173.06013	0.9
174.06854	3.3
175.07553	7.3
177.05516	0.9
177.07001	1.8
177.09123	8.4
178.07761	1.5
179.08487	2.2
181.06482	2.6
181.10031	1.2
182.07288	0.9
183.08087	0.8
183.11719	0.8
187.07539	3.6
189.07262	1.0
189.09119	11.5
191.08559	2.4
191.10593	2.0
193.06483	1.4
193.12183	0.8
194.07373	1.9
195.08089	2.9
195.10158	32.7
196.10515	1.0
197.05992	1.1
197.09683	0.8
199.07640	1.3
202.07713	0.9
205.06499	5.6
205.08652	2.3
206.07216	0.9
207.08260	1.1
207.10147	6.2
207.11604	1.1
208.08852	1.0
209.06021	1.3
209.09656	1.7
209.13261	0.7
210.06752	1.8
211.07489	1.2
211.11224	0.8
213.09137	1.2
217.06325	0.7
217.10220	0.9
218.07349	0.8
219.08063	3.1
221.05974	3.1
221.09662	0.9
222.06764	3.7
223.07535	1.4
223.11169	1.4
224.08209	1.3
225.09128	3.1
227.07024	1.5
227.10596	1.2
233.05971	3.2
233.09747	1.3
234.06691	2.1
234.10361	0.8
235.07559	1.5
236.04761	0.9
236.08261	1.2
237.09076	7.5
238.06276	2.1
239.06952	1.5
239.10641	1.4
240.07607	1.2
241.08546	2.2
245.09642	2.5
247.07468	2.1
248.08252	1.0
249.09074	2.4
250.06248	2.2
251.06985	3.0
251.10742	1.1
253.08531	4.3
255.10213	1.5
259.14902	0.8
261.09085	1.5
261.29596	0.8
263.06918	1.2
263.10605	1.2
264.07742	1.2
265.08594	15.1
266.09326	2.0
267.10098	2.4
267.13599	1.0
268.07294	2.0
269.08185	2.2
269.11780	1.2
270.08643	1.0
273.08875	1.6
273.11395	1.8
277.08646	3.2
277.11996	1.6
279.10181	2.2
281.11710	1.0
282.08710	1.0
283.09677	6.4
284.10309	2.3
285.11243	9.9
287.12875	2.0
291.10196	1.0
293.11707	1.7
296.10608	0.9
297.11224	18.0
298.11893	1.4
299.12769	1.9
305.11728	2.5
309.11252	1.7
311.12839	11.2
311.18744	0.7
317.13806	5.5
323.13004	3.5
337.14444	3.8
341.14038	1.5
342.14523	1.1
355.15485	1.7
369.22925	0.7
387.24240	2.0
403.15326	1.7
419.18262	2.0
429.16907	0.8
435.17719	1.5
447.17740	1.3
461.19360	1.5
461.26825	2.0
479.20496	4.6
479.27704	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98459	6.1
53.03949	15.9
55.01867	17.3
55.05506	60.8
56.05843	14.8
57.03440	12.4
65.03951	8.7
67.05505	100.0
68.05844	14.5
69.03443	24.4
69.07074	23.5
69.44691	29.6
71.04993	9.4
79.05495	83.1
80.05829	17.2
81.03417	76.0
81.07056	86.5
82.03752	18.3
82.07394	10.9
83.04980	34.3
83.08614	30.9
84.08970	4.8
85.02905	28.3
85.06542	9.6
85.69723	4.3
91.04929	4.2
91.05479	93.4
92.05821	15.2
93.07040	71.3
94.07381	11.1
95.04961	51.1
95.08603	53.6
96.05312	6.7
96.08904	5.4
97.02913	12.0
97.06519	31.8
97.10184	30.9
98.10503	10.5
98.22624	4.3
105.03425	5.7
105.04519	8.2
105.07028	94.5
106.07378	20.7
107.04952	20.4
107.08599	48.1
108.05311	8.0
108.08911	7.3
109.02885	9.6
109.06514	34.2
109.10111	23.3
110.06803	5.5
111.04476	5.5
111.08077	22.7
112.08496	4.3
113.06022	5.0
115.05466	13.7
116.06233	5.7
117.07040	33.0
119.04932	4.3
119.08585	51.8
120.08908	5.4
121.06502	55.1
121.10097	27.4
122.06831	10.0
123.08079	19.7
123.11697	5.4
125.09669	12.9
126.10043	7.2
127.03958	4.8
128.06239	20.2
129.07008	35.9
130.07376	8.5
131.08585	35.9
132.08878	11.2
133.06488	16.3
133.10124	64.7
134.06845	4.5
135.08047	30.4
135.11725	7.7
137.06003	20.6
141.07005	14.2
142.07826	9.5
143.08537	39.5
145.06477	20.4
145.10153	29.7
146.07181	14.4
147.08035	40.6
147.11711	16.4
148.08417	6.0
149.09636	15.5
151.07587	8.2
151.11179	5.7
153.06934	6.0
153.09039	5.6
154.07744	5.5
155.08583	20.8
156.09291	7.9
157.06493	10.8
157.10123	35.3
158.10484	7.9
159.08076	19.4
159.11711	16.2
161.09596	79.8
163.11238	10.0
165.06995	7.0
167.07158	5.9
167.08588	15.7
168.09296	6.0
169.10153	20.4
170.10597	4.8
171.08104	16.2
171.11664	15.2
173.09631	20.3
173.13358	6.5
175.07530	56.4
175.11224	9.9
179.08562	16.4
179.10728	7.4
181.10130	13.3
182.07364	5.0
183.08063	6.4
183.11668	11.8
185.09665	13.1
187.11174	11.5
189.09131	81.6
189.11111	12.9
190.11533	7.1
191.10602	4.9
192.09311	5.9
193.10156	17.7
193.12267	25.9
194.10892	7.0
194.12585	13.0
195.08073	7.9
195.11746	15.4
197.09660	18.7
197.13268	8.1
199.11221	12.7
201.12711	6.6
205.10275	7.6
206.10959	8.0
207.11739	23.3
208.12195	6.6
209.09673	10.3
209.13266	14.3
211.11200	12.6
211.13300	12.7
211.15031	8.3
213.12682	5.7
215.10635	12.1
218.07162	5.1
219.11665	17.6
220.12399	9.0
221.09521	6.4
221.13243	11.1
223.11227	6.6
224.11873	5.5
225.12766	8.2
228.13135	5.7
231.11664	9.3
232.12436	6.8
233.09467	5.9
233.13226	12.2
235.11263	11.5
237.12729	19.4
237.56380	4.5
238.10242	4.2
238.13022	7.1
239.14204	5.2
239.92035	5.1
241.12126	5.6
244.12349	7.6
245.13281	9.8
247.11139	7.3
247.14859	5.8
249.12769	13.5
251.14429	6.4
253.12299	6.6
255.13855	10.9
259.11108	6.3
261.12799	9.9
261.16257	7.4
263.14340	5.2
265.12170	5.9
268.16336	6.4
275.14542	5.0
277.16110	5.3
289.12189	5.3
299.23584	10.4
303.17474	9.0
305.15668	8.9
319.92410	4.5
321.18210	8.7
323.20035	5.2
331.16885	8.6
351.22391	7.6
359.24600	6.0
368.22629	8.0
369.23294	30.6
386.24237	8.1
387.15750	6.9
387.24225	39.4
397.21832	12.0
399.19583	5.0
401.21185	6.0
405.25226	16.2
415.22614	38.1
417.24438	17.9
425.20987	27.7
426.21396	5.2
433.23657	16.1
435.26602	8.3
443.21918	76.3
443.26956	6.6
444.22498	6.9
461.22241	53.7
461.29160	42.3
462.23718	10.7
479.29410	90.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2798
Annotation	Longipedlactone A
Peak:m/z	Relative Intensity
51.88520	0.7
52.54566	0.5
52.79434	0.6
53.03944	2.4
55.01869	2.0
55.05510	9.4
56.05836	0.7
57.03440	1.3
57.07041	0.9
64.22444	0.6
65.03933	1.2
67.05507	13.4
69.03423	2.8
69.07073	4.6
71.04998	2.4
71.31084	0.7
79.05487	10.0
79.22415	0.5
81.03414	1.9
81.07053	16.5
82.07391	0.9
83.04984	18.2
83.08636	3.4
85.02888	1.1
85.06554	3.6
91.05474	12.6
91.06010	1.1
93.07039	14.3
93.07624	1.0
94.07357	0.7
95.04971	5.5
95.08602	16.5
97.02899	1.5
97.06533	2.4
97.10172	2.0
99.04472	1.5
99.08082	0.8
103.05472	0.7
105.04520	0.6
105.07032	13.9
106.07338	1.0
107.04979	3.0
107.08587	9.9
109.02899	1.1
109.06525	13.0
109.07246	0.9
109.10139	4.8
111.04436	12.2
111.08073	5.7
112.08324	0.8
113.06048	0.8
115.05459	2.0
117.07014	5.0
119.08574	15.1
120.08921	0.8
121.06513	5.1
121.10143	4.9
123.08047	4.6
123.11703	1.7
125.06004	1.3
125.09616	1.3
127.07562	1.8
128.06216	3.3
129.07033	7.0
130.07762	1.1
131.08571	7.5
132.08954	0.8
133.06494	2.5
133.10115	10.4
134.10468	0.8
135.08055	4.2
135.11707	2.2
136.08498	0.8
137.05959	3.6
137.09631	1.4
139.07550	2.6
141.07002	2.7
141.09148	0.9
141.68907	0.7
142.07787	6.5
143.08574	8.5
144.09308	1.3
145.06480	1.6
145.10124	9.3
147.08060	3.9
147.11713	4.6
149.05989	0.8
149.09657	2.3
149.13264	0.7
151.07530	1.5
151.11169	1.2
153.07025	1.2
154.07790	1.9
155.07097	2.6
155.08571	14.4
156.09370	4.8
157.10129	20.7
158.07294	1.0
158.10666	1.0
159.08043	3.8
159.11702	6.6
160.08759	0.7
160.12148	0.7
161.05957	0.8
161.09631	4.2
161.13298	1.1
163.07596	0.9
163.11209	1.5
165.06946	3.8
166.07797	1.8
167.07210	1.1
167.08549	5.7
168.09412	1.7
169.10114	11.7
170.10809	2.1
171.08099	2.3
171.11697	10.6
172.08855	0.7
172.12096	1.3
173.09642	3.8
173.13313	2.2
175.07541	1.4
175.11226	2.9
177.09157	1.2
178.07780	1.0
179.08566	5.0
179.10695	1.8
180.09357	2.6
181.10120	9.3
182.10866	1.5
183.08159	1.5
183.11688	7.4
185.09633	3.8
185.13245	2.6
186.10384	0.8
187.11218	2.9
189.09247	1.2
189.11142	1.0
189.12807	1.4
191.08591	2.4
191.10689	2.0
192.09308	3.2
193.10165	8.9
193.12283	1.9
194.10927	3.0
195.08008	1.8
195.11674	12.7
196.12421	2.2
197.09621	3.1
197.13275	6.9
199.11273	5.3
199.14854	2.5
201.09181	1.3
201.12860	1.0
203.08566	1.0
203.10670	1.9
204.09314	1.1
205.10153	4.9
205.12135	1.5
206.10841	4.4
207.11700	9.5
208.12451	3.4
209.09749	3.9
209.13252	12.5
210.10471	0.9
210.13857	2.1
211.11237	2.4
211.14877	3.5
213.09132	1.4
213.12759	2.8
215.10666	2.3
215.14368	1.1
216.09265	0.9
217.10152	1.9
217.12289	5.6
218.10921	1.9
219.11729	8.4
219.13838	1.8
220.12440	2.7
221.09827	1.1
221.13252	10.0
222.13965	1.5
223.11230	5.0
223.14793	4.9
224.11826	1.0
224.15155	0.9
225.09250	0.7
225.12770	2.8
225.16411	1.0
227.10695	2.4
227.14435	2.1
229.10081	1.4
229.12210	1.5
230.10849	1.5
231.11700	4.8
231.13776	1.4
232.12448	2.9
233.13301	6.7
234.14035	2.2
235.11198	1.5
235.14818	7.6
236.11867	0.8
236.15642	0.9
237.12753	3.6
237.16429	2.1
239.14349	1.7
241.12308	2.7
243.11673	2.0
243.13884	1.2
244.12424	1.5
245.13293	4.9
245.15450	1.8
246.14052	2.9
247.11258	2.0
247.14807	6.7
248.15523	1.6
249.12675	3.3
249.16452	4.3
250.13568	0.7
251.14369	2.7
251.17982	1.3
253.12234	1.8
253.15904	1.1
255.13870	2.2
256.14679	1.6
257.13016	1.2
257.15439	3.1
258.13977	1.6
259.14789	4.8
260.15512	2.0
261.12784	1.8
261.16418	6.5
262.13617	1.0
262.17072	0.9
263.14319	2.7
263.17966	4.8
264.14679	0.7
264.18665	1.2
265.12332	1.6
265.15906	2.6
265.19589	1.0
267.13724	3.2
267.17340	2.0
268.14536	0.9
269.15460	6.1
271.14706	1.9
271.17270	0.9
272.15683	0.8
273.12854	0.8
273.16354	2.4
275.10919	0.8
275.14319	1.5
275.17905	2.4
277.12354	1.2
277.15869	2.4
277.19427	1.2
279.13873	1.4
279.17429	2.2
280.14502	0.7
281.15381	2.5
283.14368	0.7
283.17169	1.7
285.16531	1.1
287.14609	0.9
287.17972	2.7
289.15833	2.4
289.19193	1.6
290.16824	1.0
290.20193	1.1
291.13855	1.5
291.17422	1.4
293.15347	1.6
293.18903	0.9
295.16953	2.9
297.15024	0.8
297.18677	1.6
300.14957	0.8
301.15933	1.3
301.19315	1.4
303.17474	2.7
303.20914	0.8
305.15598	1.3
305.19052	3.3
307.16919	2.0
309.18643	1.2
311.20139	3.9
313.18808	0.8
315.17560	1.0
317.15445	0.8
319.16998	1.9
321.18518	4.9
323.20029	9.5
323.23627	0.8
324.20499	0.8
325.18079	2.3
325.21695	4.8
329.19168	2.4
330.19611	0.9
331.20572	1.0
333.18454	1.2
339.19519	3.6
340.20471	1.1
340.43387	0.8
344.21402	1.8
346.18561	0.8
347.20010	2.5
349.21533	2.2
351.23242	2.1
359.19882	0.9
361.21683	1.2
362.22180	3.5
363.23361	1.2
369.23566	1.2
387.19186	1.0
387.24161	1.5
397.25693	0.9
401.25021	4.0
405.20721	1.3
415.26465	3.8
417.28091	1.5
419.26154	3.3
425.24783	2.8
433.27396	2.2
435.28854	1.1
443.25952	9.5
444.25842	0.8
461.26913	37.2
462.27704	3.5
479.27972	100.0
480.28195	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2792
Annotation	Longipedlactone A
Peak:m/z	Relative Intensity
53.03955	3.9
55.05507	16.3
58.82097	3.3
66.42849	3.8
67.05508	27.9
69.03445	3.6
69.07053	10.4
69.13220	15.5
69.13644	13.6
79.05495	14.8
81.07054	23.3
83.04998	26.2
85.06555	4.3
90.25797	3.4
91.05494	29.5
93.07056	39.5
95.04974	12.5
95.08616	54.0
97.06509	4.0
105.07030	30.2
107.08595	31.9
109.06542	9.5
109.10162	11.3
111.04462	9.6
111.08086	16.3
117.07034	10.3
119.08583	29.5
121.06527	10.2
121.10130	10.3
123.08067	14.1
128.06273	8.0
129.07002	11.8
130.07826	4.5
131.08595	24.2
133.06493	3.9
133.10139	23.4
134.57445	3.7
135.08069	12.9
135.11679	5.3
137.05966	8.7
137.09547	4.7
139.07549	16.1
141.06972	10.5
141.09145	6.8
142.07808	12.2
143.08578	32.9
144.09377	4.6
145.10101	28.8
147.08066	7.4
147.11723	6.9
149.09644	5.0
153.07027	4.6
154.07761	4.2
155.08586	24.9
156.09386	11.3
157.06409	3.8
157.10139	32.4
159.08055	7.1
159.11650	17.9
161.09651	11.3
161.13219	5.3
165.07024	11.7
166.07774	5.6
167.08560	11.4
168.09245	3.9
169.10104	33.0
171.11713	21.2
173.09625	14.3
173.13338	5.0
175.11224	6.1
177.09122	5.1
178.07764	6.1
179.08566	16.1
180.09326	10.8
181.10114	27.5
182.10959	10.0
183.08070	3.8
183.11711	22.3
185.09666	9.5
185.13216	9.9
187.07610	4.0
187.11156	8.7
189.09251	4.2
191.08577	7.7
192.09363	7.4
193.10117	39.8
194.10878	11.7
195.08142	4.4
195.11688	35.2
196.12473	6.3
197.09564	6.5
197.13235	16.7
199.11261	9.1
199.14893	3.9
201.12720	3.9
203.08505	7.2
204.09413	6.7
205.10217	20.7
206.10936	15.6
207.11710	41.9
208.12408	12.3
209.09630	3.8
209.13274	34.7
211.11208	9.6
211.14787	5.1
213.12750	6.7
215.08557	4.1
217.10149	6.7
218.10938	9.2
219.11661	35.8
220.12480	13.9
221.09712	6.6
221.13257	41.1
222.13936	8.8
223.11205	8.5
223.14825	16.9
225.12723	8.5
227.14301	7.0
231.11732	18.2
232.12500	8.4
233.13237	31.2
234.14058	10.3
235.11171	6.7
235.14853	41.8
237.12752	11.7
237.16418	19.1
239.10663	6.8
239.14302	8.7
241.12273	5.4
245.13321	17.0
246.14073	11.8
247.11241	7.0
247.14806	15.8
248.15575	8.1
249.12741	9.6
249.16373	14.7
251.10722	4.8
251.14247	6.1
251.17944	12.0
255.13860	11.8
259.14810	13.6
260.15549	10.0
261.16461	28.4
262.17117	8.1
263.14337	13.4
263.17938	9.4
265.12286	12.1
265.15756	5.2
267.13818	14.0
269.15359	8.3
271.14795	4.6
273.16348	4.2
275.14362	4.0
275.17963	13.6
277.15961	12.6
277.19421	7.9
278.16507	5.7
279.13910	8.2
279.17508	12.6
280.14236	4.5
281.15356	8.5
283.17218	5.5
287.18042	7.6
289.15948	4.5
289.19424	5.3
293.15317	9.6
293.19000	12.9
294.01541	4.1
295.16968	23.9
297.18573	8.7
303.17407	20.2
307.16888	8.2
319.16849	4.8
321.18521	45.2
322.19186	7.1
323.20035	11.4
331.20538	5.5
335.20084	5.1
339.19580	14.0
341.21167	18.4
347.20096	7.0
349.21729	4.5
351.23090	4.8
362.22400	4.7
371.23331	5.0
377.20941	7.0
391.26611	5.9
399.23053	8.5
401.24756	14.3
401.73044	4.2
405.20724	7.4
415.26370	19.0
417.24207	13.5
419.25964	7.0
423.48254	4.1
425.24759	5.6
433.27322	22.6
435.24884	31.3
437.27002	5.7
443.25864	29.5
461.26859	100.0
462.27277	8.9
479.28033	58.0
480.27960	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2794
Annotation	Longipedlactone A
Peak:m/z	Relative Intensity
53.03942	5.1
54.51995	2.1
55.01871	3.3
55.05510	18.8
57.03437	1.9
57.07099	2.3
64.78449	1.6
65.03933	3.1
67.05506	27.0
69.03435	5.9
69.07075	10.3
69.20746	8.1
69.21179	7.7
71.01376	2.1
71.04999	3.3
77.03925	3.0
79.05503	18.6
79.74043	1.9
81.03432	2.1
81.07061	34.7
83.04980	24.2
83.08649	4.5
84.18087	1.9
85.02906	2.4
85.06561	4.3
86.41255	1.7
91.05473	28.7
93.07047	37.9
95.04978	12.1
95.08038	3.9
95.08607	54.1
97.06528	9.0
97.10146	2.2
98.22648	4.4
99.04483	2.4
105.07027	40.7
107.05010	3.2
107.08590	33.2
109.06509	15.2
109.10139	14.5
111.04442	14.9
111.08072	14.7
113.06006	3.5
115.05502	5.1
117.07024	10.3
119.08572	37.4
121.06477	10.2
121.10142	15.3
123.04392	2.0
123.08068	21.8
123.11724	3.4
125.09657	8.1
128.06232	7.5
129.06990	11.5
130.07791	2.8
131.08559	29.3
132.05711	1.8
133.10136	31.3
135.08008	9.5
135.11708	4.1
137.05994	7.0
137.09650	3.1
139.07550	8.8
141.06969	10.4
141.09175	2.4
142.07759	11.7
143.08563	28.1
144.09344	3.5
145.06514	4.2
145.10112	27.1
147.08080	7.6
147.11694	9.3
149.09612	6.0
151.07597	5.8
151.11208	2.4
153.06967	2.9
154.07755	2.9
155.08542	28.1
156.09344	8.9
157.06470	3.6
157.10132	37.9
159.08047	9.2
159.11676	22.7
161.09605	10.4
161.13310	3.9
163.11156	3.0
165.07028	8.5
165.09158	3.5
166.07726	2.4
167.08586	11.5
168.09348	6.1
169.10124	28.8
170.10918	4.6
171.08092	6.7
171.11667	26.3
172.08806	2.4
173.09641	12.9
173.13272	11.3
175.07585	2.1
175.11217	11.9
177.09148	3.1
177.12785	3.1
178.07866	3.1
179.08452	12.3
180.09355	6.4
181.10115	25.1
182.10918	3.2
183.08118	2.7
183.11664	30.6
184.12325	2.7
185.09645	8.2
185.13251	15.2
187.11220	8.6
187.14839	3.6
189.12820	7.5
191.08574	3.0
191.10774	2.7
191.14336	3.3
192.09361	8.8
193.10141	16.2
193.11899	2.9
194.10922	7.3
195.08067	4.2
195.11702	27.6
195.13362	3.1
196.08754	2.9
196.12482	5.8
197.09648	5.1
197.13272	19.6
198.14130	3.0
199.11272	10.4
199.14818	10.0
201.12738	4.6
203.10681	3.7
205.10167	7.3
206.10956	7.8
207.11736	24.9
208.12514	5.9
209.09694	6.4
209.13229	23.2
210.13968	2.4
211.11205	8.2
211.14850	11.3
213.09201	2.9
213.12773	12.1
213.16408	3.7
215.10704	4.2
215.14325	5.3
217.10265	3.2
217.12270	2.7
218.10974	3.1
219.11711	13.6
219.93886	1.9
220.12450	7.2
221.09750	3.8
221.13309	19.0
222.13977	4.6
223.11253	6.3
223.14746	15.3
225.09071	2.9
225.12830	11.6
225.16391	7.9
227.10759	4.8
227.14343	9.7
229.12289	4.8
229.15956	12.9
231.11746	4.6
232.12462	2.6
233.13266	10.1
234.14037	3.6
235.11185	3.5
235.14804	16.8
236.15475	3.9
237.09160	2.1
237.12827	6.6
237.16405	11.5
239.10730	2.5
239.14323	9.6
239.17944	6.6
241.12251	2.8
241.15919	6.5
244.12535	3.0
245.13284	8.1
246.14047	5.0
247.11232	3.6
247.14960	11.1
248.12460	1.9
249.12755	4.0
249.16365	13.5
250.17119	2.6
251.10683	3.7
251.14368	6.6
251.18002	8.3
251.44911	1.9
253.12294	3.1
253.15897	6.2
255.13860	5.0
257.15442	4.5
259.14938	4.5
260.15497	2.6
261.12659	3.1
261.16431	10.7
262.17105	3.4
263.14383	5.7
263.17975	8.6
265.12299	3.3
265.15955	5.3
265.19513	4.8
267.13953	4.6
267.17499	16.5
269.15466	10.1
273.14764	2.3
273.16425	2.6
275.14349	3.1
275.17978	7.1
277.15912	6.5
277.19550	8.0
278.20172	4.0
279.14148	4.2
279.17514	12.0
281.15363	5.3
281.19022	3.4
283.17365	3.0
283.20679	5.0
287.17941	2.8
289.15994	2.8
289.19510	2.6
291.17490	2.7
291.20959	2.0
293.15680	2.9
293.19049	4.6
293.22385	2.3
295.16989	8.1
295.20615	5.6
297.18710	2.5
303.17636	4.4
303.21042	3.9
305.15479	2.4
305.18985	4.1
307.16971	4.4
309.18527	6.7
319.20532	3.0
321.18686	10.4
321.21951	3.5
323.20090	4.4
327.19611	12.9
329.18961	3.5
339.19727	5.4
347.20035	7.2
361.21722	4.7
362.22217	3.0
365.21301	4.0
373.25497	4.2
377.24869	9.2
380.23663	3.3
391.26321	12.6
392.26758	2.5
397.25433	2.6
401.20123	3.4
401.24872	15.0
407.29510	6.2
415.26376	8.3
416.26151	2.3
417.28006	14.1
419.18091	4.0
419.19418	4.3
419.25787	88.3
420.26208	7.2
421.23782	3.2
425.24823	6.0
433.27692	13.9
435.28952	78.7
436.29480	4.6
443.25854	17.6
443.31671	3.8
451.28296	6.8
461.26953	67.0
461.32687	6.2
462.27225	6.2
479.27933	100.0
480.28580	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.05513	17.9
57.07078	4.1
59.04977	2.0
60.50756	1.5
67.05508	16.9
69.03430	3.9
69.06368	7.7
69.06785	6.3
69.07078	8.0
69.64711	1.9
79.05498	8.5
81.03423	1.8
81.07068	15.4
83.04979	37.1
85.06551	5.0
89.57809	1.7
91.05486	17.4
93.07039	30.5
95.04972	8.5
95.08611	34.5
97.06561	2.9
105.07033	21.0
107.08587	14.7
109.06519	6.7
109.10169	6.5
111.04459	22.1
111.08083	14.0
113.05962	3.3
117.07027	6.9
119.08581	30.0
121.06509	7.0
121.10147	6.6
123.08060	12.2
125.05961	1.8
128.06218	6.3
129.07014	11.6
130.07816	3.1
131.08556	15.7
133.06538	3.8
133.10138	22.9
135.08080	6.0
137.06020	1.8
137.09619	5.5
139.07542	7.5
141.06985	5.3
141.09084	4.4
142.07800	12.7
143.08582	15.8
144.09355	2.8
145.10117	16.2
147.08063	9.1
147.11673	10.4
153.06938	3.0
155.08568	16.2
156.09337	9.2
157.06535	2.9
157.10123	40.6
158.07315	2.6
158.10643	1.9
159.08057	5.5
159.11705	10.2
161.09654	6.6
161.13295	2.9
162.02689	1.6
165.07053	6.7
166.07698	2.4
167.08626	6.0
168.09377	2.0
169.10149	15.7
170.10808	4.2
171.08047	3.1
171.11697	20.9
171.88751	1.8
173.09656	7.9
173.13280	3.2
175.07597	2.2
175.11185	8.1
177.09151	2.4
177.14171	1.7
178.07840	2.8
179.08589	8.9
180.09300	3.7
181.10155	13.0
182.10945	6.2
183.11629	10.4
184.12369	3.7
185.09634	4.6
185.13222	8.7
187.07481	1.8
187.11194	5.3
187.14865	2.3
189.12750	5.2
191.08592	2.7
191.10701	5.1
192.09355	4.6
192.34254	2.0
193.10146	11.3
194.10962	8.3
195.08110	2.2
195.11708	12.9
196.12398	2.5
197.09653	5.5
197.13287	14.3
198.14030	2.2
199.11157	9.1
199.14911	4.2
201.08965	1.8
201.12791	2.2
203.08601	2.9
204.09383	3.5
205.10095	7.1
205.12096	1.9
206.10956	9.8
207.11665	20.1
208.12506	4.9
209.09674	3.9
209.13280	14.4
210.10564	2.2
211.11226	5.1
211.14902	4.3
213.12747	2.7
213.16255	2.0
215.10820	2.4
217.10172	6.4
217.12256	16.7
218.10925	6.8
219.11690	20.7
220.12457	8.0
221.13271	17.4
222.14032	2.3
223.11153	3.8
223.14848	7.5
225.12785	7.0
227.14392	5.9
229.10283	2.0
230.11052	3.9
231.11736	14.9
231.13873	2.6
232.12471	6.5
233.13237	16.9
234.13985	2.4
235.11134	2.9
235.14978	10.4
236.15359	2.0
237.12686	7.5
237.16341	2.8
239.14326	4.9
241.12259	2.3
243.11693	5.3
244.12471	2.7
245.13284	15.7
245.15405	3.4
246.14032	7.4
247.11122	3.3
247.14938	13.7
248.15428	4.5
249.12807	7.2
249.16432	7.5
250.13612	2.2
251.14317	5.0
251.17743	1.9
255.13802	3.0
257.13171	4.5
257.15491	2.8
258.14008	4.1
259.14813	12.1
260.15613	4.7
261.12857	3.2
261.16409	15.8
262.17026	3.5
263.14316	5.5
263.17966	4.2
265.12274	5.5
265.15875	2.8
267.13882	3.3
269.15439	4.2
271.11227	1.8
271.14624	4.0
272.15802	2.8
273.12918	3.6
273.16403	8.1
274.16959	3.1
275.14478	2.9
275.17944	6.9
277.12274	3.7
277.15851	5.6
277.19403	3.6
279.13889	3.5
279.17612	2.1
281.15463	3.6
283.17224	2.4
284.15579	2.1
285.16092	1.9
287.14639	3.1
287.17975	10.9
287.20688	1.8
288.15482	2.1
288.18488	4.0
289.16138	3.9
289.19608	5.9
291.13885	4.5
291.17496	2.1
291.20920	1.7
293.15497	2.6
295.16928	5.2
297.18729	2.3
301.15857	2.5
301.19476	4.4
302.20227	4.5
303.14111	2.2
303.17545	6.4
303.21082	4.2
305.15411	3.9
305.19128	2.3
306.16165	2.0
307.16898	4.7
307.28070	9.0
315.17813	3.2
317.19031	3.1
319.16849	4.2
319.20444	2.5
320.17563	3.0
321.18546	7.4
322.19186	3.3
323.20178	2.1
329.18976	5.8
331.20694	2.0
334.19458	1.9
335.20163	3.3
339.19394	3.0
341.18967	2.2
343.20682	2.4
345.18512	3.0
347.19968	10.7
348.20575	1.8
349.21625	5.0
351.23260	2.1
361.21457	4.3
362.22342	6.2
369.18582	3.0
373.21567	3.1
383.23767	2.8
387.19318	4.5
399.23264	2.0
401.24780	81.2
402.25098	6.5
405.20453	4.4
408.82742	1.8
415.26218	7.5
417.28076	9.1
421.23636	2.6
425.24692	7.9
433.27356	5.4
443.25882	31.8
444.26062	3.8
461.26874	100.0
462.27219	11.7
479.27936	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.2
55.05515	28.2
57.03435	8.2
57.07082	4.9
61.38520	3.6
65.03928	4.4
66.17117	3.0
67.05506	69.5
69.03421	9.8
69.07077	24.6
69.15887	31.1
71.04996	6.9
79.05499	35.3
81.03403	17.5
81.07056	67.4
83.04981	33.8
83.08611	15.1
85.02899	12.6
85.06541	11.0
91.05484	54.8
93.07036	68.9
95.04957	27.6
95.08606	75.9
97.06531	9.6
99.00801	4.6
105.07037	53.5
105.57605	3.2
107.04961	5.8
107.08596	63.7
109.06501	15.7
109.10154	19.2
111.04437	19.4
111.08086	22.7
113.06014	5.0
115.05445	6.5
117.07050	19.5
119.08590	41.1
121.06519	18.0
121.10127	18.2
123.08078	17.6
123.11691	7.0
128.06218	12.4
129.07018	22.6
130.07878	5.3
131.08575	35.8
133.06464	8.2
133.10092	29.1
135.08102	13.0
135.11739	8.4
136.44176	3.1
137.05919	6.7
139.07565	12.6
141.06999	12.4
141.09128	7.6
142.07780	12.2
143.08562	27.5
145.06493	7.4
145.10136	47.6
147.08055	14.0
147.11694	16.5
149.09615	10.1
149.13261	9.2
153.06995	6.7
154.07780	6.9
155.08563	16.3
156.09354	12.6
157.10152	41.1
158.07195	3.8
159.08049	13.3
159.11685	31.0
160.08904	5.1
161.09619	13.4
161.13223	5.5
163.11157	4.2
165.06940	6.9
166.07751	4.2
167.08543	14.3
168.09428	8.6
169.10156	28.2
171.08025	9.1
171.11708	25.8
172.08932	4.1
173.09586	17.4
173.13222	6.4
175.11197	14.1
177.09119	6.9
178.07787	6.6
179.08592	14.4
180.09404	7.1
181.10085	18.5
182.10907	6.7
183.11710	27.0
185.09641	13.4
185.13211	9.6
187.11169	27.9
189.09152	6.3
189.12727	10.4
191.10725	6.5
192.09308	8.8
193.10152	27.7
193.12248	19.6
194.10902	11.9
195.06561	16.2
195.08116	5.0
195.11670	30.2
195.13806	3.8
196.12363	6.7
197.09601	10.8
197.13269	18.0
199.11217	10.8
199.14833	7.3
201.08990	3.6
201.12860	8.7
203.10660	5.5
204.09344	6.8
205.10123	14.4
205.12207	6.0
206.10907	14.2
207.11719	31.0
208.12503	7.9
209.08023	7.1
209.09767	5.0
209.13203	25.9
211.11176	10.5
211.13229	15.3
211.14890	10.3
213.12862	7.8
215.10728	6.4
217.10307	5.0
218.10905	4.6
219.11824	23.4
219.13585	6.1
220.12384	11.1
221.13252	32.0
222.13724	4.7
223.09474	8.0
223.11369	7.6
223.14737	9.8
225.12759	13.2
227.14343	7.2
229.10262	5.6
229.15846	9.2
231.11743	7.2
233.09575	4.5
233.13277	15.7
234.13966	6.3
235.11134	5.6
235.14810	19.6
236.15538	6.2
237.12737	12.2
237.16376	7.3
239.14291	10.2
244.12538	6.3
245.13184	10.6
245.15454	6.7
246.14005	6.5
247.14847	17.0
247.17032	7.5
249.12688	5.9
249.16438	7.7
251.10625	4.0
251.14304	11.6
251.17937	8.5
253.12242	5.2
255.13797	10.6
257.13150	4.9
259.14761	13.5
260.15314	4.3
261.12689	7.4
261.16437	24.7
262.16846	3.8
263.14285	10.4
263.17935	10.7
265.12088	6.8
265.15988	7.5
267.13773	8.9
269.15451	6.0
275.14313	6.9
275.17886	9.2
277.15866	11.7
277.19342	8.1
279.13867	6.9
279.17474	8.5
281.15585	6.4
283.17044	4.9
287.17841	8.6
289.15829	5.4
291.17630	4.5
293.18802	4.6
295.16949	12.3
297.18524	7.4
303.17416	13.9
305.18994	6.2
319.16980	5.1
319.20499	5.1
321.18372	24.7
321.21567	3.3
322.18936	5.6
323.20038	14.8
327.17337	4.3
329.18958	6.6
339.19464	12.3
341.21149	7.0
347.20105	15.7
359.20166	5.2
362.22055	5.9
365.21225	7.0
383.23886	4.2
397.25693	5.6
401.24780	18.2
415.26486	17.3
419.25787	11.1
425.24704	16.2
433.27689	20.0
435.25327	12.4
441.91904	3.9
443.25958	45.4
443.31494	7.6
444.25772	4.4
461.26703	100.0
461.32623	51.5
462.27258	8.8
479.27777	70.3
479.47430	3.9
480.28329	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2791
Annotation	Longipedlactone A
Peak:m/z	Relative Intensity
53.03942	11.3
55.01875	11.0
55.05511	65.1
57.97990	5.6
60.83895	4.6
67.05489	19.8
71.05013	8.5
79.05498	17.3
81.07062	11.5
83.04984	100.0
91.05487	21.6
93.07055	41.8
95.04987	10.4
95.08609	43.2
97.06572	8.8
103.05471	7.0
105.07053	28.4
107.08607	12.9
109.06527	8.1
109.10201	6.0
111.04465	9.0
111.08105	17.8
117.06996	10.2
119.08585	54.7
119.35044	5.1
121.06598	6.5
121.10168	13.5
123.08107	6.3
128.06183	6.6
129.06993	18.1
131.08588	21.4
133.06471	6.3
133.10118	27.4
135.08075	6.6
139.07579	9.6
140.86865	5.2
142.07747	14.1
143.08575	21.0
145.10150	23.1
147.08066	15.0
147.11719	16.5
155.08548	20.0
156.09361	15.4
157.06479	5.6
157.10135	21.8
159.08089	11.6
159.11713	15.4
161.05956	5.5
161.09679	8.2
165.07019	11.3
167.08598	12.4
169.10159	17.9
170.10870	6.2
171.08038	12.1
171.11710	23.3
173.09625	13.8
173.13307	7.4
175.11209	33.0
179.08568	14.5
181.10181	20.2
183.07938	6.1
183.11688	24.0
185.09615	10.1
185.13255	9.8
186.10300	5.6
187.11183	12.2
189.12753	12.4
192.09407	7.3
193.10133	19.3
194.10846	6.8
195.08022	10.0
195.11696	26.8
196.12372	8.4
197.09619	12.1
197.13272	20.4
199.11206	20.7
199.14871	8.9
205.10100	7.2
206.10823	9.0
207.11639	19.8
209.13281	19.5
211.11237	13.6
211.14842	10.0
213.12672	7.6
215.14435	6.4
215.83163	6.1
217.12308	10.6
219.11702	11.5
220.12480	6.0
221.13255	16.9
223.11131	7.9
223.14795	16.8
225.12746	9.9
231.11717	8.2
233.13275	13.1
235.11005	6.4
235.14902	15.8
237.12791	10.3
245.13374	7.4
246.13878	6.8
247.11220	6.8
247.14801	12.9
249.12776	8.2
249.16394	5.9
251.14397	7.1
261.12796	7.5
261.16339	5.8
263.14447	10.9
263.17972	6.9
267.13699	11.7
273.16470	6.5
275.14468	5.2
275.18079	8.2
277.15848	16.0
278.20422	6.1
279.17538	6.1
291.17661	6.0
301.15588	6.9
303.17386	7.6
319.16971	5.8
321.18570	8.0
335.20477	5.5
344.21167	5.9
347.20129	6.6
348.10037	8.3
349.21725	5.6
353.21182	30.6
373.21466	6.2
379.11844	11.5
397.12799	16.9
415.26169	18.0
419.25998	8.0
425.24725	16.9
433.27396	11.9
443.25787	60.6
461.26828	92.9
462.27008	11.4
479.17245	7.5
479.27701	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2788
Annotation	Longipedlactone A
Peak:m/z	Relative Intensity
51.31545	1.6
53.03936	2.9
55.01860	2.8
55.05514	13.5
57.07058	3.4
65.03902	2.6
67.05500	25.3
69.03423	4.9
69.07069	13.3
69.11349	1.6
79.05485	13.8
81.07059	23.2
83.04979	15.1
83.08591	7.0
89.40311	1.8
91.05468	20.4
93.07034	29.4
95.04962	8.5
95.08609	47.7
97.02944	2.0
97.06531	11.0
97.10113	2.2
98.22596	6.3
103.05455	2.3
105.07028	33.6
107.04955	2.9
107.08583	23.5
109.06496	6.9
109.10158	11.6
111.04424	6.7
111.08104	8.8
115.05412	3.6
117.07001	9.0
119.08578	25.5
121.06509	7.6
121.10129	11.0
123.08061	13.4
123.11683	3.1
125.02323	2.8
127.03885	3.2
127.48389	1.7
128.06213	5.8
129.07043	9.6
131.08572	20.0
133.06465	4.1
133.10141	17.6
135.08043	6.3
135.11708	4.7
137.05934	3.4
137.09604	3.9
137.29590	2.0
139.03854	3.2
139.07532	5.9
141.06982	7.5
141.09103	4.7
142.07790	10.3
143.08559	24.9
145.06482	4.6
145.10141	21.7
147.08037	6.3
147.11670	8.3
149.09595	4.1
149.13228	3.1
153.06985	4.0
154.07739	6.7
155.08540	22.6
156.09314	6.3
157.06418	2.3
157.08891	2.5
157.10129	28.9
159.08038	8.7
159.11685	20.4
161.09596	9.3
161.13280	3.8
163.11177	4.5
165.05676	1.8
165.06976	6.2
166.07780	4.0
166.09755	1.8
167.07243	3.2
167.08577	11.3
168.09314	5.6
169.06496	2.4
169.10127	38.4
170.10817	4.9
171.08064	5.1
171.11703	17.3
172.12347	2.2
173.09633	5.6
173.13211	7.1
175.11142	4.7
177.05562	2.7
178.07771	2.9
179.08549	10.0
180.09309	6.8
181.06439	2.6
181.10107	19.5
182.10863	5.3
183.08069	7.6
183.11676	22.6
184.12364	2.8
185.09644	4.5
185.13222	8.2
187.11110	5.4
187.14772	2.7
189.12793	4.9
191.08482	4.0
192.09315	6.0
193.10127	15.7
194.10867	8.3
195.08031	7.3
195.11705	23.9
196.08823	5.0
196.12415	5.8
197.09572	9.5
197.13232	20.5
198.10181	1.9
198.14113	2.8
199.11134	6.3
199.14760	5.2
201.16389	2.6
204.09349	2.9
205.10152	4.6
205.12274	2.0
206.10904	10.2
207.08176	3.0
207.11664	20.4
208.12463	7.3
209.09621	7.0
209.13217	23.6
210.10338	2.4
211.11195	9.4
211.14787	12.4
213.12729	5.2
215.10718	2.3
217.10252	2.7
218.10925	3.2
219.11673	10.6
220.12390	5.8
221.09775	2.4
221.13246	19.5
222.10414	3.2
222.13863	3.8
223.11221	7.3
223.14777	16.3
224.11925	2.8
225.08977	2.0
225.12758	7.4
225.16313	5.8
227.14302	5.1
229.08255	2.3
229.15852	2.0
230.10880	2.2
231.11700	3.2
232.12442	4.5
233.13322	13.8
234.13982	2.5
235.11285	3.7
235.14845	10.4
236.11981	2.3
237.12701	13.6
237.16302	9.8
238.13518	2.7
238.17188	2.7
239.14296	12.5
239.17981	3.9
240.14886	4.0
241.08511	2.4
241.15839	6.2
242.09337	2.6
243.10077	3.5
245.13458	3.6
246.13921	2.5
247.11194	2.1
247.14743	7.9
249.12724	7.8
249.16318	5.3
250.13560	3.3
250.17067	2.2
251.10616	2.6
251.14276	7.8
251.17944	7.9
252.15216	2.2
253.15848	5.4
255.09981	3.3
255.17389	5.7
259.14935	2.3
260.15610	4.3
261.12674	2.2
261.16367	4.6
262.04498	2.2
263.14297	3.1
263.17880	4.2
265.12219	2.6
265.15945	4.7
265.19492	4.6
267.13779	3.9
274.17050	2.6
275.15002	2.2
275.17834	10.4
277.15860	3.3
277.19556	4.1
279.13907	2.1
279.17416	5.0
281.15323	3.0
281.19006	2.4
283.13223	7.3
285.14926	9.4
289.15802	2.3
291.17465	2.5
292.17889	2.2
293.18997	15.7
294.19498	3.2
295.20499	8.1
297.14941	3.3
299.16489	3.2
301.19498	2.4
303.17377	2.7
307.16895	2.6
311.16498	4.0
311.19669	2.1
321.18427	7.3
325.17975	3.6
337.17953	4.2
339.19495	20.0
341.21112	2.4
347.19958	2.4
363.28540	4.9
365.20816	5.1
380.23245	2.1
391.26538	10.5
405.27972	5.0
415.26300	56.1
417.28140	9.3
433.27362	49.9
434.27563	6.3
435.28970	23.4
443.25827	31.5
461.26883	32.8
462.26831	3.0
479.27817	100.0
480.28146	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01879	2.3
55.05511	11.0
56.48345	1.1
57.03474	1.2
65.03939	2.2
67.05508	11.8
69.03442	3.6
69.07073	4.7
69.08916	4.4
69.09344	4.1
71.04987	2.5
79.05501	10.9
81.03440	3.3
81.07063	18.0
83.04986	17.9
83.08643	2.3
85.02937	1.4
85.06566	4.4
91.05482	14.0
93.07042	12.9
95.04958	6.5
95.08613	17.1
97.02924	1.5
97.06549	2.1
99.04492	1.4
105.07037	13.9
107.04968	2.8
107.08589	10.6
109.06516	10.0
109.10181	3.9
111.04441	13.2
111.08085	6.0
115.05500	2.2
117.07079	4.7
119.08586	14.6
120.08910	1.4
121.06513	5.4
121.10128	6.5
123.08055	5.2
123.11730	2.4
125.06036	1.3
125.09657	2.0
127.07581	1.5
128.06285	3.1
129.07040	7.7
131.04935	1.4
131.08568	9.3
133.06595	1.4
133.10130	8.9
135.08054	6.7
135.11728	3.2
137.05983	2.7
139.07567	4.0
141.07025	3.7
142.07788	5.8
143.08543	9.0
145.06435	1.6
145.10115	9.2
147.08083	3.8
147.11679	6.7
149.09653	3.3
151.07549	2.5
154.07774	1.9
155.07227	1.6
155.08536	14.2
156.09308	4.2
157.06534	1.7
157.10130	20.0
158.07393	1.3
158.10912	1.1
159.08086	4.7
159.11674	5.4
161.09637	5.3
161.13298	2.0
163.07654	1.6
165.07040	3.1
165.09119	2.2
166.07848	2.6
167.07133	2.1
167.08604	6.1
168.09404	1.6
169.10110	10.2
170.10889	1.9
171.08107	3.4
171.11664	7.7
172.08856	1.2
173.09712	3.2
173.13338	1.8
175.11278	2.7
177.09158	2.0
178.07828	1.8
179.08490	6.0
180.09315	2.8
181.10120	8.8
182.10860	2.6
183.11668	6.3
185.09711	3.1
185.13293	1.2
187.11272	4.0
189.09129	1.2
189.12822	1.5
191.08647	1.6
191.10698	2.2
192.09373	3.1
193.10210	8.4
193.12148	2.0
194.10883	3.7
195.08142	1.8
195.11665	11.0
196.12492	1.9
197.09698	3.5
197.13245	6.7
199.11168	5.0
199.14911	1.5
203.08714	2.0
203.10745	2.6
205.10182	4.5
206.10933	3.2
207.11713	9.2
208.12483	2.1
209.09680	4.2
209.13280	11.9
210.10492	1.3
211.11272	2.6
211.14926	2.6
213.09148	2.4
213.12860	3.5
215.14412	1.2
217.10147	3.0
217.12338	4.8
218.10942	2.2
219.11766	8.8
219.13802	2.2
220.12512	1.8
221.09718	1.6
221.13284	7.5
223.11264	5.0
223.14890	4.7
225.12825	2.9
226.13538	1.1
227.10788	2.4
227.14447	2.1
229.12303	1.4
230.10811	1.7
231.11760	5.6
232.12567	2.0
233.13248	5.9
234.14021	2.1
235.11200	1.6
235.14944	5.0
237.12756	4.7
237.16486	1.8
239.14476	3.8
241.12323	3.9
243.11696	1.8
244.12450	1.5
245.13261	6.3
245.15634	1.2
246.14037	3.0
247.11171	1.4
247.14859	5.9
248.11946	1.4
248.15645	1.6
249.12778	2.4
249.16357	1.7
250.13220	1.2
251.14391	3.3
251.18028	1.3
255.13881	2.9
255.97729	1.2
256.14676	3.5
259.14935	4.7
260.15680	2.2
261.16345	5.5
263.14465	2.5
263.18079	2.7
265.12344	2.9
265.15836	2.6
267.13873	2.6
267.17480	1.8
269.15381	5.5
271.14664	1.1
273.16425	2.2
275.14587	1.3
275.17969	2.3
277.12665	1.3
277.15823	2.6
277.19412	1.3
279.13812	3.2
279.17401	2.0
281.15613	1.6
283.17105	1.4
287.17990	2.8
289.15878	2.2
289.19379	1.6
291.13712	1.7
293.15378	2.1
295.17105	1.9
301.16006	1.7
303.14172	1.7
303.17590	4.4
304.18353	2.0
305.18900	2.1
307.17001	2.1
311.20135	4.3
315.17365	1.6
317.06570	1.3
319.16946	1.4
321.18542	3.6
322.19144	1.3
323.20126	2.9
325.18008	1.3
325.21622	2.3
331.20636	1.2
339.19659	2.1
340.20361	1.6
347.20352	2.1
349.21756	1.8
351.23276	1.6
361.21683	1.4
362.22348	2.1
387.24295	1.4
401.24899	4.7
415.26831	2.7
417.27927	1.6
419.26300	2.3
425.24973	2.4
431.21710	1.3
435.28961	1.7
443.26129	13.1
461.27148	35.7
462.27612	3.2
479.28049	100.0
480.28378	10.1
483.24115	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.2
55.01867	4.1
55.05508	16.7
59.62831	2.7
63.47911	2.9
67.05500	22.2
69.03412	4.5
69.07060	11.8
69.11089	3.4
69.11393	26.3
79.05497	18.4
81.07058	28.0
83.04985	35.9
83.08625	3.5
85.06553	5.4
86.04822	2.6
86.29615	2.6
88.63448	2.6
91.05470	24.6
93.07042	30.7
95.04960	8.5
95.08611	41.7
99.00847	4.3
99.04447	3.6
103.05482	7.6
105.07030	28.2
107.08607	18.5
109.02915	3.2
109.06523	10.1
109.10139	5.9
111.04433	20.8
111.08041	10.2
115.05422	4.5
117.07024	13.7
118.83262	3.3
119.08591	31.1
121.06496	10.0
121.10139	7.7
123.08060	9.6
128.06223	5.9
129.07025	16.8
130.07797	4.6
131.04922	9.9
131.08540	16.0
132.05296	3.9
133.06493	6.2
133.10159	21.2
135.08060	11.7
135.11662	3.6
137.05963	8.3
137.09648	3.7
139.07558	10.7
141.06963	6.8
142.07759	15.2
143.08575	23.9
145.06464	5.8
145.10124	19.5
147.08044	7.1
147.11674	12.9
149.09598	6.1
151.07545	3.2
155.08546	15.9
156.09328	8.2
157.06499	3.5
157.10112	42.4
158.07278	4.2
159.08102	8.9
159.11674	10.1
161.06017	5.1
161.09630	5.5
163.07487	4.3
165.07028	4.6
166.07793	5.0
167.08527	8.2
169.10103	20.1
171.08090	4.8
171.11676	21.5
173.09647	12.8
173.13249	5.3
175.11180	5.7
178.07802	3.3
179.08566	11.3
180.09439	6.6
181.04982	5.0
181.10107	17.7
182.10938	4.1
183.08037	3.4
183.11699	13.6
184.12466	4.9
185.09628	4.0
185.13266	8.7
187.11171	7.3
189.09100	7.0
191.08646	5.7
191.10703	9.6
192.09335	8.2
193.10208	16.2
194.10922	8.2
195.06567	12.0
195.08151	5.2
195.11726	19.6
197.09633	5.3
197.13306	14.7
199.11194	9.0
199.14969	4.5
203.08638	4.0
203.10602	3.1
204.09378	3.4
205.10176	14.9
205.11908	3.5
206.10858	9.8
207.11679	23.8
208.12479	8.1
209.07977	4.5
209.09702	5.2
209.13239	19.9
211.07617	3.2
211.11206	5.1
211.14900	4.6
213.12570	3.4
216.09332	4.1
217.10081	8.0
217.12270	10.5
218.10902	8.3
219.11722	18.5
220.12463	8.8
221.13243	21.9
222.13765	5.9
223.09558	5.1
223.11406	5.6
223.14771	7.9
225.12726	8.9
227.10614	4.5
227.14345	5.1
230.10979	4.2
231.11734	11.5
232.12497	9.1
233.13214	15.0
234.14064	6.6
235.11378	3.4
235.14728	13.3
236.11928	5.8
237.11183	8.5
237.13159	5.2
237.16328	5.1
239.10646	3.3
239.14151	6.8
243.11627	5.6
243.13811	4.7
244.12498	3.8
245.13161	11.6
245.15462	3.9
246.13957	10.0
247.11241	5.4
247.14801	18.5
249.12984	4.4
249.16377	7.5
251.18202	4.2
253.12180	4.4
255.13934	3.5
257.13110	6.6
257.15448	5.0
259.14749	12.0
259.77686	3.0
260.15436	5.2
261.16531	15.8
262.16959	3.5
263.14233	5.1
263.18011	5.2
265.12079	6.1
266.73801	2.9
267.13782	5.1
269.15518	4.6
273.12903	3.5
273.16238	6.8
274.17151	5.0
275.14377	3.7
275.17914	8.1
277.15869	8.4
279.13925	3.8
279.17285	6.0
281.15225	4.7
285.16232	3.5
287.18033	11.1
289.19501	5.8
295.16898	7.0
301.19217	7.2
302.20248	3.1
303.17514	5.2
303.21085	6.8
305.15280	4.4
305.19128	3.7
307.16736	4.9
311.20285	3.9
321.18701	7.4
323.19986	4.8
325.18454	3.5
329.19067	6.6
333.18530	4.1
335.19928	6.4
339.19666	4.0
347.19833	6.8
349.21710	6.1
359.19980	3.5
361.21747	5.4
362.22214	8.4
397.25589	4.7
401.24802	100.0
402.24988	9.8
415.26349	8.2
417.28094	6.7
419.26053	13.5
425.24722	7.3
433.27966	3.7
435.29501	4.2
443.25751	36.7
444.25983	4.2
461.26694	87.7
461.32632	62.4
462.27017	8.6
462.32904	6.5
479.20944	4.8
479.27930	77.5
479.34387	7.1
480.27881	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.4
55.05505	11.5
66.67744	4.6
67.05497	17.3
68.97626	3.9
69.01260	30.9
69.01662	8.3
69.03415	9.5
79.05492	14.7
79.44883	4.5
81.07045	33.7
83.04983	30.4
91.05479	23.1
93.07032	27.2
95.04958	6.9
95.08614	29.5
97.06519	5.5
98.22637	9.1
105.07034	26.3
107.08598	19.7
108.58133	4.5
109.06528	15.5
109.10147	8.8
111.04427	22.3
111.08091	12.1
114.07111	4.1
115.59222	4.2
117.07037	5.8
119.08550	21.0
121.06524	11.1
121.10129	5.5
123.08100	6.4
128.06215	6.0
129.07031	14.2
131.08565	18.0
133.10127	12.9
137.05962	31.4
141.06937	7.8
142.07787	15.4
143.08546	12.2
144.09361	4.3
145.06468	5.0
145.10132	17.8
147.08104	5.3
147.11700	8.7
155.08577	27.4
156.09309	7.3
157.06480	8.1
157.10130	22.2
159.08008	6.9
159.11708	11.6
161.09688	8.1
165.07036	6.3
166.07803	4.9
167.08566	11.7
169.06517	5.0
169.10139	13.8
171.08067	10.5
171.11722	17.8
173.09599	7.2
175.11217	6.0
179.08557	13.3
181.10092	24.9
183.11693	13.4
185.09550	4.4
187.11221	7.9
191.07034	4.6
191.08621	5.6
192.09267	6.7
193.10127	16.0
194.07335	4.4
195.08017	13.3
195.11736	22.2
197.09619	11.1
197.13272	14.1
199.11226	19.8
205.10219	10.0
206.11075	5.1
207.08018	4.8
207.11713	18.4
209.09698	11.7
209.13058	10.7
211.11186	4.9
211.14964	4.4
217.10078	8.6
217.12102	5.3
219.08122	4.7
219.11787	12.2
220.12476	8.3
221.09633	6.0
221.13226	14.9
223.11223	9.3
223.14812	11.7
224.11945	5.8
225.09006	5.8
225.12596	7.2
227.10721	4.7
231.08130	5.1
231.11710	6.7
233.09596	6.5
233.13312	12.3
234.14066	6.1
235.11188	9.3
237.12740	7.7
237.16402	7.5
243.11734	6.2
245.13171	9.8
246.10291	5.5
247.11197	11.7
247.14854	8.1
249.12758	12.3
249.16357	5.8
259.11121	6.6
261.12680	16.4
261.16318	8.7
263.14316	6.8
265.12344	9.9
267.13953	5.1
273.12817	7.4
275.14206	6.4
277.15939	10.6
277.18982	4.7
287.14294	9.9
289.15897	8.2
301.15997	7.8
303.17331	11.4
305.18933	4.5
325.14157	5.5
329.18933	9.7
333.22430	4.7
335.19901	6.5
340.99854	5.0
344.21371	8.1
347.20105	6.0
349.21628	5.1
351.23257	5.2
351.66446	5.2
401.16971	6.1
401.24716	13.0
407.23843	5.0
415.26242	15.0
419.18317	24.0
425.24716	14.7
443.25806	100.0
444.25870	9.1
461.26883	74.5
462.27155	4.7
479.20990	9.5
479.27783	58.7
480.27969	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28727	1.4
53.03945	9.9
55.01878	3.1
55.05511	19.2
57.03441	3.8
57.07074	5.6
61.02929	2.7
67.05505	25.4
69.03423	8.9
69.07069	18.6
70.67948	4.0
71.04981	4.5
79.05488	16.7
81.03423	8.6
81.07061	47.9
83.05008	8.1
83.08636	7.3
85.02911	16.6
85.06540	6.0
91.05481	21.1
92.05784	2.1
93.07044	21.0
95.01360	2.3
95.04965	5.9
95.08609	34.5
97.02888	7.2
97.06530	29.3
97.10184	3.7
99.00821	9.0
99.04450	8.8
104.69089	1.6
105.03375	1.8
105.07032	22.7
107.04950	3.0
107.08606	14.7
109.02869	7.8
109.06514	24.0
109.10168	15.4
111.04421	2.4
111.08108	5.4
113.02386	2.2
113.06030	2.5
115.05447	2.4
117.07023	7.0
119.08573	16.3
121.06505	6.3
121.10143	11.1
123.08062	8.6
123.11729	6.8
125.05960	1.7
127.03919	4.1
128.06242	3.2
129.07016	5.0
131.08580	14.0
133.06499	3.9
133.10150	14.4
135.04431	2.4
135.08054	8.8
135.11685	7.5
137.06001	7.2
137.09668	2.7
137.13251	2.2
139.07574	2.6
141.07002	2.5
142.07787	5.1
143.08548	9.1
145.05008	3.9
145.10130	13.0
147.08078	5.3
147.11700	5.9
149.05988	3.0
149.09595	8.7
149.13277	5.4
151.07524	3.3
151.11214	2.3
153.05476	3.3
153.06955	1.8
155.08524	10.3
156.09384	4.5
157.10124	14.7
159.08058	2.6
159.11681	8.8
161.06056	2.1
161.09634	6.6
161.13199	2.9
163.07538	2.6
163.11195	3.1
163.14856	2.1
165.06989	3.2
167.07141	2.7
167.08614	3.7
168.09370	2.4
169.10170	10.0
171.08124	3.7
171.11687	8.3
173.09636	3.3
173.13231	3.9
175.07567	4.3
175.11148	4.4
175.14818	3.0
177.05516	6.2
177.09102	3.1
177.12727	2.6
177.16411	2.1
179.08540	3.2
179.10663	3.0
181.04951	13.7
181.10197	5.4
183.06593	5.1
183.11681	7.3
185.13290	4.5
187.11261	3.2
187.14789	2.9
189.09102	14.9
191.06987	2.4
191.10585	2.3
191.18065	1.5
192.09344	2.8
193.10161	6.9
193.12195	3.1
195.06532	27.7
195.08150	2.4
195.11665	7.9
195.13597	1.7
196.12489	2.3
197.13252	6.6
199.11212	3.2
199.14902	3.5
203.10739	3.0
203.14391	2.0
203.18056	2.7
205.10144	4.3
205.12083	2.4
206.10881	1.9
207.06555	2.8
207.11809	8.6
209.08052	12.4
209.13306	8.0
211.11188	2.8
211.13101	2.9
211.14879	4.7
213.09085	2.9
215.10626	2.6
215.14095	1.9
217.12190	3.4
218.10822	1.9
219.11810	8.2
220.12431	3.4
221.13290	9.0
222.14000	3.0
223.09576	17.3
223.14833	5.6
225.12808	2.4
225.16357	3.2
229.10199	1.7
229.12419	2.5
231.11719	2.9
231.13773	1.8
233.13298	5.1
234.13890	1.9
235.14888	4.0
236.15419	2.0
237.11098	20.3
237.16270	2.4
241.12294	3.2
243.13831	2.1
245.13182	3.6
247.10899	1.7
247.14864	6.9
249.11044	13.6
249.16267	3.9
251.12788	5.3
253.19557	2.3
255.13841	2.0
259.14679	2.1
261.16412	3.7
263.12698	3.0
263.17978	3.8
273.16412	1.7
277.19247	1.8
281.15585	2.5
281.22519	9.1
289.19565	3.0
295.16971	4.4
297.18414	4.1
299.23676	26.5
305.18808	3.2
317.06583	1.9
317.25024	7.7
319.19110	3.2
321.18484	2.3
323.20062	4.9
325.21652	1.9
337.21603	3.5
339.19550	2.3
345.18369	2.1
349.21585	3.3
397.25314	2.1
401.25241	2.5
405.20502	1.9
415.26373	2.5
419.25797	5.8
425.24829	2.3
433.27386	3.3
443.25696	10.8
443.31592	4.4
461.26678	18.6
461.32626	100.0
462.33200	7.0
479.27881	39.7
479.33765	15.8
480.28195	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.6
55.01876	5.3
55.05518	5.4
57.03443	4.7
59.05012	1.1
61.02932	7.9
65.20235	0.9
66.88676	0.9
67.05511	11.9
69.03427	24.3
69.07074	5.6
70.12968	3.9
70.66560	1.1
71.04998	3.8
73.02931	2.7
79.05491	17.2
79.05911	1.6
81.03425	11.4
81.07053	33.2
83.04987	12.8
83.08613	2.8
85.02903	56.8
85.06558	1.8
87.04472	3.8
88.94378	0.9
91.03962	4.2
91.05464	10.7
91.05904	0.8
93.07044	18.2
95.04980	2.3
95.08604	23.5
97.02895	22.2
97.03509	1.5
97.06530	87.8
97.10140	1.5
99.04437	6.2
101.71043	1.1
105.07028	16.6
107.04982	2.7
107.08600	16.1
109.02908	6.7
109.06516	70.7
109.10152	15.5
110.06866	1.7
111.04446	1.2
111.08086	1.8
117.07039	4.0
119.08585	14.6
120.64509	1.0
121.06503	13.6
121.07259	1.4
121.10140	17.4
123.08064	18.0
123.11700	7.0
127.03908	17.4
129.07040	3.3
131.08563	9.6
133.06396	1.1
133.10136	15.4
135.08057	8.3
135.11684	8.6
137.05975	9.0
137.09627	3.1
137.13246	1.1
139.07562	1.2
141.07018	1.9
142.07777	2.4
143.08549	7.0
145.04968	13.7
145.06201	1.4
145.10121	9.5
147.08073	3.4
147.11693	12.4
149.09618	13.7
149.13231	11.4
151.07599	2.1
155.08583	3.3
156.09309	1.6
157.10124	7.8
159.08105	2.3
159.11694	11.4
161.09616	5.7
161.13277	6.9
163.06042	2.5
163.11206	6.4
163.14795	5.1
165.06900	1.0
165.09167	4.1
167.07059	1.7
167.08524	2.2
168.09334	1.7
169.10156	4.1
171.08081	1.3
171.11679	7.8
173.09602	2.8
173.13266	11.8
175.11160	5.2
175.14810	7.9
177.12778	7.6
177.16273	5.0
181.10139	1.0
182.10988	1.2
183.11746	3.3
185.13277	9.1
185.14799	1.3
187.11221	1.2
187.14882	4.3
189.09120	1.4
189.12781	3.5
189.16428	3.7
191.14299	2.4
195.11790	2.4
197.09625	1.6
197.13251	4.0
199.11031	1.2
199.14798	4.8
201.09204	1.1
201.16420	2.6
203.14330	5.1
203.17931	6.2
207.11809	2.8
209.13324	1.6
211.11353	1.1
211.14864	5.4
213.16409	2.9
215.14288	1.9
215.17982	2.7
217.12285	1.6
217.15993	1.4
217.19507	4.8
219.11852	1.2
225.12784	2.0
225.16428	4.4
227.17969	2.4
229.15918	4.7
229.19504	1.3
239.18005	2.8
241.19640	2.9
243.17474	2.2
253.19534	2.6
255.21156	1.9
257.19125	1.0
265.12497	1.3
266.12750	1.1
267.13754	2.4
269.15421	1.2
271.20737	1.3
271.24118	1.4
273.22250	1.2
281.22638	39.8
282.22998	2.4
299.23688	100.0
300.24033	6.0
313.14276	1.9
317.24722	30.4
318.25259	2.3
419.18100	1.9
433.20029	4.2
438.01837	1.0
443.25775	1.3
479.20804	3.7
479.30139	20.9
480.29486	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.1
54.86312	0.5
55.01676	0.4
55.01875	4.4
55.05513	5.4
57.03188	0.5
57.03439	4.4
57.07061	0.7
57.93055	0.4
59.04993	0.5
61.02927	5.5
62.57893	0.5
63.93182	0.5
65.03926	1.0
66.23808	0.4
67.05181	0.8
67.05508	12.7
67.27412	0.4
69.03432	19.4
69.07066	7.4
70.44988	0.5
70.45298	1.1
71.04996	3.6
73.02901	2.6
79.05492	14.4
81.03421	10.0
81.07058	24.4
82.07381	0.5
83.01331	0.9
83.04980	9.7
83.08608	3.6
85.02906	43.8
86.03233	0.6
87.04460	2.7
91.03950	2.6
91.05476	10.0
91.06007	0.8
93.06464	1.0
93.07045	17.7
95.04950	2.6
95.08611	19.0
96.08918	0.8
97.02895	16.6
97.06530	73.0
97.10159	2.2
98.06854	1.4
99.00800	0.7
99.04455	3.3
99.08098	0.6
103.05484	0.7
104.41238	0.5
105.04521	0.7
105.07029	14.9
107.04963	1.8
107.08599	14.9
108.08944	0.6
109.02882	4.5
109.06519	53.8
109.10155	12.6
109.45174	0.4
110.06857	1.1
111.04504	0.5
111.08090	1.2
115.03917	0.6
115.05464	0.9
117.07007	3.4
119.08584	13.1
120.08898	0.5
121.06510	9.1
121.10141	14.0
123.07168	0.9
123.08070	15.1
123.11705	4.6
125.09581	0.7
127.03912	10.1
128.06232	1.1
129.06963	3.3
130.07806	0.7
131.08568	9.7
131.09489	0.7
133.06506	1.3
133.10123	10.9
133.11043	0.7
135.08057	6.3
135.11700	7.3
137.05969	1.6
137.09625	2.2
137.13211	0.9
139.07535	0.8
141.07056	1.0
142.07777	2.1
143.08560	5.6
144.09402	0.6
145.04956	12.4
145.06549	1.0
145.10124	7.9
146.10478	0.6
147.08061	3.5
147.11708	7.5
149.09616	11.1
149.13260	9.1
151.11198	1.1
153.05470	0.6
155.08537	3.3
156.09311	1.3
157.10138	8.2
159.08098	1.3
159.11696	7.0
161.09621	3.3
161.13269	5.4
163.06047	1.5
163.11148	4.2
163.14781	3.1
165.07033	0.5
165.09157	0.6
167.08510	1.0
168.09305	0.9
169.10143	4.8
170.10808	0.6
171.08078	0.8
171.11688	7.5
172.12073	0.5
173.09712	1.1
173.13266	9.2
175.07684	0.7
175.11192	3.3
175.14819	5.8
177.12755	6.1
177.16359	4.3
179.08583	0.7
181.05104	0.8
181.10165	1.9
182.10931	1.7
183.11623	2.8
185.09647	0.6
185.13275	5.8
187.11224	1.3
187.14809	3.2
189.09148	0.9
189.12740	2.5
189.16360	3.7
191.08638	0.9
191.10623	0.6
191.14346	1.5
191.18013	1.2
193.10222	2.4
193.12315	1.7
194.10815	0.5
195.06557	1.5
195.11722	2.0
196.12505	1.0
197.09543	0.7
197.13275	3.9
199.11272	0.7
199.14819	4.6
200.15312	0.6
201.12764	1.0
201.16476	1.8
203.14314	3.8
203.16307	0.7
203.17935	4.8
205.10132	0.9
206.10881	1.3
207.11745	1.9
208.12216	0.5
209.08006	0.7
209.13310	1.9
211.11292	0.8
211.13219	0.9
211.14880	4.5
213.16292	2.2
215.14389	1.5
215.17976	2.4
217.15953	1.4
217.19504	3.2
219.11693	1.3
221.13330	2.3
223.09570	1.0
223.14964	1.4
225.12793	1.1
225.16373	3.7
226.17079	0.7
227.14441	0.6
227.18013	2.1
229.15857	2.5
229.19513	0.8
231.11757	0.9
232.12495	0.6
233.13326	1.5
233.55861	0.5
235.11214	0.6
235.14848	1.6
237.11115	0.9
239.18010	1.7
241.19565	1.7
243.11710	0.6
243.13834	1.3
243.17499	1.5
245.13266	1.1
246.13962	0.7
247.14758	1.5
249.16550	1.2
253.19543	2.3
254.19852	0.5
255.21246	1.1
257.19171	0.5
257.22836	0.6
258.14380	0.6
261.12799	0.6
261.16376	1.3
263.18073	0.9
267.13940	0.5
271.20966	0.8
271.24265	0.8
273.16461	0.6
273.22162	2.2
279.13611	0.6
281.22638	35.1
282.23001	2.9
287.14288	0.5
297.18604	0.7
299.23691	100.0
300.24042	7.2
307.16702	0.6
317.24762	29.6
318.25171	2.1
321.18375	0.7
323.20264	1.0
401.24814	1.5
415.26791	0.9
419.18637	1.6
425.25308	0.6
443.26263	1.7
461.20471	0.9
461.26938	3.7
461.32843	7.3
479.30057	28.3
480.30087	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.6
55.01876	5.3
55.05518	5.4
57.03443	4.7
59.05012	1.1
61.02932	7.9
65.20235	0.9
66.88676	0.9
67.05511	11.9
69.03427	24.3
69.07074	5.6
70.12968	3.9
70.66560	1.1
71.04998	3.8
73.02931	2.7
79.05491	17.2
79.05911	1.6
81.03425	11.4
81.07053	33.2
83.04987	12.8
83.08613	2.8
85.02903	56.8
85.06558	1.8
87.04472	3.8
88.94378	0.9
91.03962	4.2
91.05464	10.7
91.05904	0.8
93.07044	18.2
95.04980	2.3
95.08604	23.5
97.02895	22.2
97.03509	1.5
97.06530	87.8
97.10140	1.5
99.04437	6.2
101.71043	1.1
105.07028	16.6
107.04982	2.7
107.08600	16.1
109.02908	6.7
109.06516	70.7
109.10152	15.5
110.06866	1.7
111.04446	1.2
111.08086	1.8
117.07039	4.0
119.08585	14.6
120.64509	1.0
121.06503	13.6
121.07259	1.4
121.10140	17.4
123.08064	18.0
123.11700	7.0
127.03908	17.4
129.07040	3.3
131.08563	9.6
133.06396	1.1
133.10136	15.4
135.08057	8.3
135.11684	8.6
137.05975	9.0
137.09627	3.1
137.13246	1.1
139.07562	1.2
141.07018	1.9
142.07777	2.4
143.08549	7.0
145.04968	13.7
145.06201	1.4
145.10121	9.5
147.08073	3.4
147.11693	12.4
149.09618	13.7
149.13231	11.4
151.07599	2.1
155.08583	3.3
156.09309	1.6
157.10124	7.8
159.08105	2.3
159.11694	11.4
161.09616	5.7
161.13277	6.9
163.06042	2.5
163.11206	6.4
163.14795	5.1
165.06900	1.0
165.09167	4.1
167.07059	1.7
167.08524	2.2
168.09334	1.7
169.10156	4.1
171.08081	1.3
171.11679	7.8
173.09602	2.8
173.13266	11.8
175.11160	5.2
175.14810	7.9
177.12778	7.6
177.16273	5.0
181.10139	1.0
182.10988	1.2
183.11746	3.3
185.13277	9.1
185.14799	1.3
187.11221	1.2
187.14882	4.3
189.09120	1.4
189.12781	3.5
189.16428	3.7
191.14299	2.4
195.11790	2.4
197.09625	1.6
197.13251	4.0
199.11031	1.2
199.14798	4.8
201.09204	1.1
201.16420	2.6
203.14330	5.1
203.17931	6.2
207.11809	2.8
209.13324	1.6
211.11353	1.1
211.14864	5.4
213.16409	2.9
215.14288	1.9
215.17982	2.7
217.12285	1.6
217.15993	1.4
217.19507	4.8
219.11852	1.2
225.12784	2.0
225.16428	4.4
227.17969	2.4
229.15918	4.7
229.19504	1.3
239.18005	2.8
241.19640	2.9
243.17474	2.2
253.19534	2.6
255.21156	1.9
257.19125	1.0
265.12497	1.3
266.12750	1.1
267.13754	2.4
269.15421	1.2
271.20737	1.3
271.24118	1.4
273.22250	1.2
281.22638	39.8
282.22998	2.4
299.23688	100.0
300.24033	6.0
313.14276	1.9
317.24722	30.4
318.25259	2.3
419.18100	1.9
433.20029	4.2
438.01837	1.0
443.25775	1.3
479.20804	3.7
479.30139	20.9
480.29486	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3285
Annotation	arachidonoyl 2-oxoserotonin
Peak:m/z	Relative Intensity
50.86031	4.9
55.05502	5.4
57.07076	7.1
67.05504	11.1
69.07057	5.8
69.53941	4.3
71.08641	5.6
78.44286	3.9
79.05485	7.9
81.07057	12.7
83.04979	5.9
83.08662	4.6
84.69102	5.3
91.05466	6.8
93.07039	12.6
95.08607	18.7
96.77719	5.2
98.60896	4.9
107.08636	7.4
109.10188	4.1
111.08171	5.2
119.08595	6.2
121.10159	8.2
123.08027	5.2
131.08549	7.3
133.10101	5.7
145.10085	5.3
147.11731	5.0
157.10129	5.5
353.06061	4.9
461.26761	7.2
479.26630	9.7
479.32938	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3364
Annotation	Polyporusterone A
Peak:m/z	Relative Intensity
53.03937	1.1
54.82864	0.9
55.05506	11.2
56.05893	0.9
57.07061	4.1
58.33743	1.0
61.77652	0.8
65.03937	1.1
67.05503	17.0
69.03426	2.0
69.06738	0.9
69.07070	14.1
71.05002	1.9
71.08615	1.5
79.05482	6.2
81.06577	1.9
81.07056	30.2
83.01334	1.2
83.04988	4.3
83.08621	5.8
85.06528	2.8
91.05482	7.1
93.07045	11.0
95.01328	2.6
95.04964	2.5
95.08600	25.6
97.02890	1.1
97.06511	1.4
97.10162	3.1
98.23376	2.2
99.00814	13.0
99.04455	3.3
105.07013	7.1
107.04970	1.0
107.08591	6.1
109.06509	3.0
109.10168	10.1
111.04427	2.9
111.08088	2.4
113.02372	3.5
117.01865	1.6
117.07009	3.5
119.04911	0.9
119.08603	6.2
121.06510	2.8
121.10149	3.7
123.04472	1.2
123.08048	2.7
123.11699	5.4
125.06002	1.1
125.09576	1.2
128.06256	2.0
129.07004	2.4
131.08560	4.6
133.06470	1.3
133.10114	4.0
135.04382	1.3
135.08060	3.2
135.11726	2.0
137.05977	2.6
137.13223	2.2
139.07487	1.4
141.06976	1.5
142.07724	2.0
143.08546	5.4
144.09421	1.0
145.06520	1.3
145.10112	6.2
147.08060	2.2
147.11679	2.6
149.06047	2.2
149.09599	1.6
149.13177	1.2
151.07529	2.1
153.05496	5.2
153.06738	0.9
155.07022	1.1
155.08543	4.1
157.10106	5.6
159.08072	1.2
159.11699	3.7
161.05977	2.0
161.09615	3.2
163.03882	1.6
163.07587	2.7
163.11200	1.6
165.07004	1.2
165.09120	2.0
166.07874	1.3
167.08554	2.9
169.10136	4.1
171.08073	1.2
171.11737	2.7
173.09656	3.3
175.07506	1.9
175.11150	2.4
177.05453	4.7
177.09122	3.9
179.07182	1.1
179.08617	2.5
180.09343	1.7
181.04956	22.6
181.06456	1.7
181.10101	4.2
182.10863	1.3
183.06560	4.0
183.07964	1.2
183.11711	3.7
185.09657	2.3
187.11145	1.9
189.09106	9.3
189.12816	1.3
191.07019	2.7
191.08676	1.3
191.10741	2.5
192.09270	1.2
193.10205	4.0
193.12007	1.0
194.10977	1.2
195.06525	47.5
195.11655	5.4
197.09659	1.8
197.13275	2.1
199.11218	3.0
201.09128	2.0
203.10649	2.2
205.10155	2.2
205.12090	1.0
206.10878	1.9
207.06546	2.1
207.11841	4.4
207.13461	1.1
209.08060	23.8
209.13249	4.0
211.11137	1.9
213.12761	2.2
219.11687	3.4
221.13234	4.5
223.09579	25.1
223.14792	3.3
225.12779	2.8
229.16113	1.1
232.12296	1.4
233.13304	3.1
234.13872	1.2
235.09677	3.0
235.14801	3.2
237.11081	20.4
239.10933	1.0
239.14259	2.6
241.12242	2.0
245.13278	1.6
246.13940	1.3
247.11287	1.1
247.14897	2.5
249.10930	6.6
249.16473	1.5
251.12657	11.4
255.13968	1.3
259.14807	1.6
261.13010	1.1
261.16476	3.9
263.12872	3.1
265.14328	5.6
267.13782	5.3
275.17917	2.2
277.19440	1.2
281.15506	1.8
289.15924	1.3
293.17700	1.6
301.15921	1.0
302.20248	1.0
303.17426	2.0
307.19183	4.4
319.19150	1.8
321.18445	2.7
323.20056	1.2
333.20816	1.7
339.19473	1.2
369.25131	1.1
375.24969	1.1
377.26718	1.1
401.25092	2.1
415.26117	2.8
417.23679	2.1
419.25848	2.9
431.31476	12.6
433.27353	3.2
435.29172	1.5
443.25717	5.5
443.31631	20.2
444.31772	1.5
461.26794	11.0
461.32587	75.7
462.33047	5.6
479.27707	9.9
479.33701	100.0
480.34061	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
55.05275	1.3
55.05515	17.1
55.84715	1.1
57.03432	2.7
57.07074	2.6
65.03930	1.5
67.05506	28.3
68.05863	1.1
69.03429	3.0
69.07076	15.4
71.04993	2.1
73.08426	1.1
79.05499	13.7
79.27135	1.1
81.03432	5.0
81.07053	38.0
82.62402	1.1
83.01315	1.3
83.04985	9.6
83.08627	8.3
85.02925	2.4
85.06540	9.5
91.05482	14.3
93.07038	16.5
95.01299	1.2
95.04962	6.1
95.08608	30.6
95.73604	1.0
96.08945	1.7
97.06520	2.5
97.10175	2.8
99.00816	9.9
99.04441	4.5
105.07027	12.9
107.08601	14.1
107.74039	1.1
109.06538	3.3
109.10149	10.9
111.04428	4.7
111.08072	4.5
113.02370	2.2
113.06017	2.1
115.05470	2.0
117.07010	5.6
119.08573	11.7
121.06504	5.0
121.10155	6.0
123.04428	1.2
123.08068	4.3
123.11700	3.5
125.09538	1.1
128.06235	2.2
129.07013	4.6
129.84764	1.0
131.08601	9.2
133.06447	3.4
133.10135	8.4
135.04417	1.2
135.08070	4.8
135.11671	3.6
137.05983	3.5
137.13246	2.9
139.07558	3.2
141.07007	2.1
141.09120	1.3
142.07768	4.3
143.08566	7.2
145.06467	1.3
145.10146	8.0
147.08014	2.5
147.11679	3.4
149.05962	2.3
149.09610	3.9
149.13257	4.4
151.07593	2.1
153.05446	2.9
154.07756	1.3
155.07153	1.5
155.08536	5.7
156.09396	2.0
157.06476	1.1
157.10190	8.2
159.08073	2.9
159.11688	5.2
161.09624	3.6
161.13171	1.5
163.07561	3.1
163.11237	1.3
165.06995	2.9
166.07825	1.4
167.07083	1.3
167.08542	3.8
168.09346	1.3
169.10159	4.4
171.08031	3.0
171.11661	4.9
173.09618	2.4
173.13229	3.2
175.07579	4.3
175.11189	5.0
177.05441	3.8
177.09106	2.8
178.07739	1.5
179.08571	3.5
179.10480	1.3
180.09349	2.2
181.04955	12.4
181.10164	5.1
182.10884	2.1
183.06512	3.6
183.11685	3.9
185.09647	2.9
185.13297	3.0
187.07495	1.1
187.11214	2.5
189.09081	8.6
189.12788	2.4
191.07059	2.4
191.10753	1.0
192.09283	1.4
193.10117	4.2
193.12247	6.2
194.10818	2.3
195.06525	34.3
195.07892	1.4
195.11670	6.9
195.13306	1.3
196.12434	1.7
197.09586	3.0
197.13237	3.4
199.11154	2.1
201.09009	1.1
201.12790	1.7
203.08759	1.4
203.10651	2.2
204.09349	1.2
205.10101	2.6
205.12120	2.1
206.10852	3.7
207.11725	6.6
208.12337	1.8
209.08035	14.0
209.09579	1.4
209.13229	7.4
211.11185	3.1
211.13281	4.1
211.15009	2.0
213.09146	5.0
213.12790	1.2
215.10674	2.4
217.10170	1.7
217.12238	1.9
219.11671	4.5
220.12384	1.9
220.91122	1.2
221.09796	1.5
221.13327	5.0
221.15248	1.3
222.13803	1.3
223.09549	15.5
223.11214	2.2
223.14854	3.4
225.08980	1.3
225.12750	2.1
227.10678	2.2
227.14337	1.4
229.18980	1.7
230.10825	1.3
231.11778	2.1
231.13745	2.1
232.12289	2.2
233.13344	2.5
234.13968	2.6
235.11426	1.6
235.14780	2.6
237.11079	14.9
237.16350	2.4
239.14352	2.5
241.12228	3.0
245.13181	2.6
246.13965	1.7
247.11201	1.9
247.14804	2.5
249.10995	5.0
249.16371	1.9
250.11523	1.2
251.12500	6.1
253.12228	1.6
253.15993	1.8
255.13895	2.2
255.17014	1.1
257.13290	1.1
259.14819	3.0
261.12613	1.4
261.16235	3.4
263.12720	2.3
263.17865	1.4
265.12054	2.2
265.14447	2.3
267.13828	4.3
271.14688	1.3
275.18002	1.6
278.15961	1.1
279.13525	1.3
279.17554	1.2
281.15610	1.2
284.15515	1.2
287.17886	2.4
289.15698	1.5
293.18011	1.5
295.16867	1.5
303.17365	1.1
305.18579	1.2
307.19254	3.0
311.19907	1.8
319.19443	1.4
321.18503	4.7
323.20078	1.8
325.18158	1.6
329.18912	1.3
339.19583	3.5
349.21579	4.2
359.20374	1.5
377.26773	3.4
388.18909	1.1
399.23279	1.5
401.24762	2.6
415.26294	3.8
419.25729	3.0
425.25009	1.5
431.31891	1.2
433.27188	3.7
435.28796	3.9
443.25647	7.1
443.31543	9.3
461.26691	19.0
461.32571	100.0
462.26971	2.7
462.32886	10.1
479.27753	38.6
479.33722	24.8
480.28058	5.6
480.34534	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3385
Annotation	Polyporusterone A
Peak:m/z	Relative Intensity
53.03954	1.8
55.01875	1.3
55.05516	9.4
57.07077	2.2
67.05508	12.0
69.03442	2.2
69.07069	14.0
71.31673	1.0
79.05508	7.1
81.03424	1.3
81.07063	24.9
83.01359	1.2
83.04980	3.1
83.08618	4.3
85.06542	2.2
91.05467	5.7
93.07027	7.5
95.01353	1.5
95.04961	2.3
95.08613	17.7
97.10188	1.3
99.00808	7.5
99.04462	4.1
103.05484	1.2
105.07053	5.9
107.04973	1.0
107.08588	4.3
109.06508	3.1
109.10170	6.7
111.04463	1.1
111.08041	1.5
113.02361	1.7
117.01837	1.2
117.07033	2.1
119.08558	5.8
121.06497	2.2
121.10120	2.2
123.08073	2.2
123.11694	3.2
125.06088	1.3
125.07202	0.9
129.07030	2.6
131.04906	1.2
131.08592	3.5
133.06442	2.2
133.10135	3.5
135.04370	1.1
135.08047	2.2
135.11644	1.4
137.05974	4.3
137.13274	2.0
139.07556	1.2
142.07761	1.3
143.08583	3.5
143.60982	1.1
144.08911	1.2
145.06506	1.3
145.10126	3.6
147.07991	1.8
149.05946	2.7
149.09599	1.1
151.07571	2.0
153.05490	2.7
155.08545	4.1
156.09206	1.0
157.06444	1.2
157.10127	4.2
159.08087	1.4
159.11729	2.0
161.05956	1.4
161.09641	4.9
162.09953	1.3
163.03917	1.9
163.07559	1.9
165.07065	1.3
165.09154	1.1
167.08589	1.1
169.10156	2.8
171.08038	2.2
171.11650	3.5
172.12033	1.3
173.09659	1.5
175.07559	2.4
175.11153	3.0
177.05440	4.6
177.09116	2.8
179.08583	1.2
181.04959	12.5
181.10089	3.1
183.06514	2.9
183.08006	1.0
183.11673	1.7
185.09653	1.8
185.13254	1.4
187.11215	1.1
189.09142	9.9
191.07010	1.8
193.10175	1.5
194.10881	1.3
195.06538	24.6
195.11699	2.3
196.12358	1.3
197.09660	1.4
197.13249	2.0
200.11508	1.0
203.10655	3.6
204.11070	2.7
207.06514	2.3
207.11769	2.3
208.12013	1.5
209.08086	13.3
209.09846	1.7
209.13303	1.4
211.11113	1.8
211.14801	1.1
213.12685	0.9
213.15721	1.2
219.11815	1.4
221.07965	1.3
221.13324	2.7
223.09628	14.5
223.14687	1.4
229.12296	1.2
233.13213	1.7
235.09673	1.9
235.14781	1.4
237.11194	17.6
239.14432	1.2
249.11203	9.8
251.12827	3.0
253.16302	0.9
257.15439	1.7
261.40320	0.9
263.12735	2.4
265.14304	1.2
269.15500	1.8
280.17838	1.1
289.19754	1.3
291.15945	1.3
292.10388	1.3
293.17572	1.7
305.17319	1.1
307.19073	2.5
319.19397	2.6
331.20093	1.1
415.26358	1.8
425.24731	1.3
433.26865	4.6
435.28766	1.6
443.25107	3.0
443.31583	7.4
461.26401	10.2
461.32593	100.0
462.27246	2.2
462.33066	9.7
479.27377	24.6
479.33734	22.5
480.27966	1.8
480.33966	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15669	0.6
52.80066	0.6
53.03934	2.6
53.47481	0.6
55.01862	0.7
55.05270	0.9
55.05514	11.2
55.86944	0.7
57.03431	1.4
57.07060	2.5
59.20523	0.6
67.05505	14.6
69.03424	1.4
69.07063	10.7
69.18375	1.5
69.18784	3.4
71.04998	1.1
71.08613	0.8
73.57603	0.7
73.98273	0.8
79.05489	7.7
81.03405	2.5
81.07054	26.4
82.07426	0.6
83.01332	1.4
83.04976	6.8
83.08623	5.0
83.49691	0.6
85.06526	3.3
91.05473	6.4
91.56241	0.7
93.07039	9.3
95.01309	1.5
95.04948	3.0
95.08604	19.5
97.06527	1.7
97.10175	1.3
98.22524	0.6
99.00816	7.9
99.04455	2.6
99.08070	0.8
103.05479	0.8
105.07032	8.0
107.04965	1.1
107.08605	5.6
109.02876	1.6
109.06532	2.6
109.10158	7.3
111.04421	3.6
111.08087	2.9
113.02364	1.6
113.05997	0.8
115.05418	1.0
117.01830	0.9
117.07011	2.4
119.08576	7.0
121.06480	3.3
121.10126	1.9
123.08037	2.2
123.11680	2.3
125.05949	1.2
127.00320	0.6
127.07520	0.6
128.06203	1.7
129.07021	3.1
130.07860	0.7
131.08575	4.3
133.06450	0.7
133.10130	5.0
135.04337	0.6
135.08051	2.3
135.11646	1.5
137.05986	2.3
137.09613	1.4
137.13246	1.5
139.07535	2.4
141.06963	1.2
142.07776	3.4
143.08577	4.5
144.09343	0.9
145.10104	4.9
147.08026	2.0
147.11642	1.9
149.05995	2.0
149.09627	1.7
149.13281	1.0
151.07547	1.2
153.05455	1.9
153.06964	0.7
155.07233	1.2
155.08548	5.8
156.09326	2.5
157.06538	1.0
157.10136	8.3
159.08060	2.3
159.11647	2.5
161.06007	1.6
161.09612	2.1
163.03889	1.0
163.07516	2.6
163.11192	0.8
165.07037	1.1
165.09108	1.0
167.08577	1.4
168.09366	0.8
169.10156	4.3
171.08025	1.9
171.11679	3.3
173.09636	2.5
173.13261	0.9
175.07544	3.5
175.11206	2.1
177.05460	4.1
177.09100	2.3
177.12773	1.3
178.07828	1.0
179.06982	0.6
179.08537	1.8
179.10593	1.2
180.09190	1.1
181.04961	10.6
181.10104	3.6
183.06520	2.7
183.07985	0.9
183.11708	3.5
185.09650	1.0
185.13248	0.9
187.11208	2.0
189.09087	9.6
189.12798	1.0
191.07001	2.0
191.08607	1.0
191.10706	1.7
192.09366	1.2
193.08450	1.0
193.10136	3.8
193.12245	1.9
194.10815	1.4
195.06523	23.8
195.07889	1.2
195.11697	4.6
195.13483	0.8
197.09689	1.3
197.13289	2.8
199.11185	2.7
199.14867	0.8
203.08699	0.8
203.10687	2.5
205.10146	1.6
205.12166	1.3
206.10916	1.5
207.06490	1.5
207.11758	4.9
208.12451	1.4
209.08052	12.6
209.09789	1.4
209.13202	4.6
210.13907	0.8
211.13129	0.8
211.14922	1.2
213.12738	1.0
215.10588	0.8
216.09641	0.7
217.10242	1.2
217.12283	2.3
219.11809	3.1
219.13678	0.8
220.12418	1.1
221.13269	4.8
223.09575	12.6
223.14816	2.7
224.10101	1.0
224.15277	0.6
225.12735	2.0
227.10703	1.2
227.14333	1.0
231.11737	1.4
231.13719	1.0
232.12395	1.2
233.13170	3.4
234.13979	1.0
235.09421	1.3
235.14764	2.6
237.11130	13.4
237.16470	1.4
239.14253	1.1
243.13824	1.4
245.13205	2.1
245.15369	0.7
246.14037	2.4
247.11150	0.8
247.14771	2.8
249.11023	7.5
249.16353	2.0
251.12592	4.1
251.17932	0.9
257.13058	0.9
257.15454	1.3
258.14102	0.8
259.14832	2.2
260.15494	1.8
261.12653	1.1
261.16467	3.2
262.17212	1.0
263.12683	1.9
263.17776	1.2
265.14349	1.1
267.13834	1.7
269.15405	1.5
271.14688	0.9
273.16449	0.7
274.17184	0.9
277.16061	1.1
279.13550	1.0
279.16479	0.6
281.15317	1.4
285.16373	0.7
287.14365	0.9
287.18015	1.6
289.15836	1.0
289.19269	1.0
295.16953	2.1
297.18536	0.6
301.19330	0.9
303.17523	1.0
303.20883	0.9
307.19037	2.8
311.20047	0.7
319.19116	2.0
321.18402	1.7
322.18976	0.9
323.20087	1.6
331.20630	0.9
339.19684	0.6
349.21515	0.9
401.24789	9.4
402.24960	1.6
415.26260	1.4
417.28021	0.7
419.21210	1.1
419.26047	1.8
425.24554	1.3
435.29346	0.7
443.25638	3.3
443.31573	5.3
452.76880	0.7
461.26801	10.0
461.32578	100.0
462.26984	1.6
462.32968	11.1
479.27747	17.6
479.33850	6.7
480.28140	2.5
480.34320	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01881	3.1
55.05508	8.1
57.07104	2.6
65.03944	2.3
67.05507	25.9
69.03421	4.6
69.07067	6.1
70.09343	2.1
71.05000	3.0
71.30971	3.6
79.05499	16.5
80.05826	2.4
81.03427	4.5
81.07059	31.3
83.04982	13.2
83.08627	5.7
85.02887	3.0
85.06527	4.5
86.77549	1.9
91.05489	15.8
93.07047	22.6
94.07381	4.2
95.04969	5.8
95.08606	28.9
96.08955	4.7
97.02947	2.4
97.06557	3.5
99.04471	2.2
105.07025	18.6
106.07338	4.4
107.04961	6.0
107.08596	13.9
108.08941	2.6
109.02837	2.0
109.06522	7.9
109.10135	11.1
111.04444	6.6
111.08089	5.3
115.05435	2.4
117.07030	5.6
119.08578	12.5
120.08862	2.7
121.06513	12.6
121.10157	7.1
122.06803	2.9
123.08060	11.2
123.11692	6.8
123.25936	1.9
125.05956	2.3
125.09669	3.4
128.06250	2.7
129.07007	4.8
131.04895	3.0
131.08582	8.3
133.06511	3.3
133.10109	8.0
135.08061	9.9
135.11668	4.7
136.08421	2.2
137.05991	15.5
139.07483	2.7
141.06976	4.0
142.07869	2.7
143.08527	10.7
145.06511	2.8
145.10124	8.1
147.08104	4.6
147.11714	5.6
149.06006	3.9
149.09622	5.6
149.13261	3.1
151.07547	100.0
151.14816	2.2
152.07919	7.0
155.08528	5.9
157.10101	8.6
159.08051	4.9
159.11658	7.1
161.06007	5.2
161.09653	5.2
163.07497	4.2
163.11201	6.2
165.09116	6.9
165.12787	3.2
167.07053	17.3
167.08398	3.6
169.10155	7.3
170.10526	2.8
171.11743	5.0
173.09625	5.6
175.07535	5.1
175.11194	5.4
177.09125	19.9
177.12682	2.3
177.16466	2.1
179.08546	2.9
179.10686	2.7
181.10143	2.5
183.11667	6.3
184.12053	3.3
185.09622	2.3
185.13257	3.8
187.11050	2.4
189.09148	4.7
190.09694	2.5
191.10678	62.3
192.09346	3.9
192.11008	4.6
193.10086	3.0
193.12291	3.0
194.10704	3.0
195.11743	3.0
197.13292	4.5
199.11139	3.5
203.10617	2.2
205.12234	27.7
206.10645	3.1
207.11690	4.8
208.12123	3.4
209.09656	2.4
209.13342	3.7
217.12097	2.9
219.11717	3.4
221.13161	3.6
223.11148	3.2
223.14659	2.4
234.13879	2.7
235.11296	2.8
246.13976	2.1
272.65704	2.5
317.06509	3.8
387.24567	4.6
415.25928	4.6
419.24966	2.9
433.26447	5.9
443.25378	4.3
443.31580	2.9
461.26276	27.5
461.32578	5.1
479.27292	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.05519	2.6
57.07080	0.7
60.30297	0.4
67.05507	2.1
69.07076	2.0
71.30836	0.4
78.86734	0.4
79.05495	1.6
81.07055	3.4
83.04973	1.5
83.08624	1.5
85.06544	1.0
85.41445	0.5
87.90681	0.5
88.25504	0.4
89.06027	0.5
91.05473	1.0
93.07046	2.4
95.08607	3.4
97.10166	1.1
105.03377	0.5
105.07035	1.1
107.08608	1.7
109.10155	1.7
111.11745	0.5
117.07014	0.4
119.08598	1.2
121.10152	1.4
123.08095	0.7
123.11710	0.8
125.06011	0.5
131.08569	1.1
133.10175	0.8
137.05992	1.4
137.30664	0.5
143.08574	1.0
145.10098	0.9
147.11717	0.6
153.05447	1.1
155.08554	0.8
157.10194	1.3
159.11671	0.7
167.07071	0.6
169.10161	0.6
171.11711	0.8
181.05093	0.5
181.08611	0.5
181.10159	0.6
191.10432	3.4
193.10197	0.9
195.11604	0.6
197.13228	0.6
207.11871	0.6
209.13329	0.7
291.20993	0.5
302.89731	0.4
311.20245	0.5
311.23544	1.6
317.74008	0.5
339.22974	1.2
357.73157	0.4
368.79382	0.5
371.14050	0.5
395.29236	4.4
422.89755	0.4
433.27161	0.7
443.25894	0.8
461.26672	1.3
461.36066	1.3
479.34982	100.0
480.35278	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.373
Annotation	Punicin
Peak:m/z	Relative Intensity
55.05508	50.9
57.07071	27.0
67.05495	37.0
69.07055	80.6
71.04997	28.5
71.08628	20.7
71.30592	13.1
71.30955	12.4
79.05461	29.8
81.07075	79.0
83.08619	66.1
89.06031	27.8
91.05467	21.9
93.07047	52.3
95.08611	100.0
97.10139	17.6
99.04448	21.9
105.07027	28.3
107.08597	28.4
109.10163	50.9
111.11681	14.7
113.86908	12.2
119.08589	25.9
121.10190	34.5
123.11736	28.6
125.05976	78.0
127.03938	27.1
133.08578	19.1
133.10162	15.6
135.11681	15.7
137.06012	70.1
160.24838	15.7
167.07042	43.5
171.08133	15.6
177.36580	12.8
185.05289	11.6
376.16864	13.4
410.22287	15.7
443.25049	14.7
443.34949	16.7
479.28476	22.3
479.34753	73.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	25.0
57.07074	100.0
60.77624	8.2
67.05502	20.6
69.06111	74.4
69.07074	45.6
70.16779	9.4
71.08636	76.5
79.05470	17.5
81.07061	43.0
83.04955	12.3
83.08620	26.3
85.10181	44.1
91.05515	11.2
93.07024	47.9
95.08602	30.8
97.06526	10.9
97.10177	19.4
101.06017	35.4
102.30853	9.2
105.07063	8.9
107.08607	22.7
109.06495	15.3
109.10166	26.2
111.11667	9.3
121.10181	21.1
127.07568	76.7
129.05479	81.3
135.11697	15.6
143.07053	15.3
149.13257	16.9
197.13182	11.5
295.38354	12.9
479.27457	14.3
479.35117	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.7
57.03442	10.3
59.04995	1.2
60.57590	1.0
61.02932	1.3
64.59821	1.0
69.02755	0.8
69.03435	3.7
70.55650	2.5
71.01358	1.1
71.04993	77.5
73.02908	3.2
75.04484	6.0
81.03441	1.9
81.83575	1.2
83.04980	6.6
85.02904	100.0
86.03251	1.6
87.04456	2.0
97.02897	5.5
98.22630	1.0
99.04490	1.2
103.77494	1.3
109.02888	1.1
111.04459	4.8
111.83074	1.0
121.06530	1.8
127.03908	6.7
129.05476	44.8
137.02322	7.3
139.03931	6.2
145.04977	2.7
147.06512	25.2
155.03380	8.7
159.80222	1.0
160.01091	1.2
163.06108	2.0
164.09114	5.4
179.03413	1.4
255.08632	1.8
287.05618	4.1
300.09802	1.6
463.67850	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01871	1.9
57.03436	5.0
57.54491	1.0
58.73612	1.1
60.82794	0.9
61.02929	9.6
69.03429	14.7
70.30674	1.1
70.85950	2.2
71.05000	1.8
73.02914	3.6
81.03402	5.9
85.02906	100.0
86.03258	1.2
87.04467	2.0
91.03950	3.9
91.05463	1.6
93.07019	1.8
97.02892	25.3
99.04448	2.8
102.19700	0.9
103.03919	1.4
103.05482	1.4
108.08035	1.0
109.02885	7.9
116.56380	0.9
121.06508	29.1
127.03921	20.7
145.04959	39.2
155.08578	1.0
159.08028	2.6
163.06032	21.6
175.07513	1.5
179.07010	1.9
180.08794	1.2
187.07538	14.0
201.09108	1.7
203.07083	1.3
205.08617	7.0
229.08574	3.1
247.09630	5.0
265.10696	3.1
318.07047	1.3
325.11426	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
54.75754	0.9
55.05497	1.6
56.10609	0.9
57.03440	12.8
59.04988	1.4
60.21754	1.0
61.02915	1.1
69.03431	6.3
70.56940	1.0
70.57294	2.6
71.04993	82.9
73.02909	2.6
75.04482	4.0
81.03429	1.1
83.04982	7.6
85.02905	100.0
86.03212	1.0
87.04469	1.4
95.04959	3.2
97.02906	2.6
98.75452	1.1
99.04456	1.0
103.03922	1.7
111.04438	3.8
123.04425	12.6
124.05231	3.0
127.03894	2.4
129.05478	41.6
137.05978	1.1
145.04961	1.3
147.06532	23.2
151.07547	3.1
155.07024	38.2
164.04741	2.0
164.09219	4.7
165.07407	1.3
167.07045	11.7
179.07024	9.3
190.06284	1.0
191.07056	2.9
193.08589	1.6
197.08189	2.5
221.08069	5.9
247.09660	5.3
263.09113	1.2
265.10709	3.3
281.10107	2.2
283.11838	3.3
301.12613	1.1
318.06952	4.2
376.79102	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.6
57.03434	6.8
59.05000	1.8
61.02922	2.1
66.74760	0.6
67.05504	8.6
69.03432	10.5
69.07066	1.0
69.22350	3.2
69.22755	1.7
71.01343	1.7
71.04985	2.0
73.02918	10.3
79.05503	2.1
81.03449	1.5
81.07058	11.6
85.02429	1.2
85.02909	18.5
87.04472	0.8
91.05466	2.3
93.07039	2.4
95.04966	4.5
95.08602	1.8
97.02898	12.7
98.22585	1.3
99.04456	3.3
105.07069	1.8
107.04938	2.2
107.08596	8.1
108.05251	0.9
109.02890	2.0
109.06521	15.7
109.10159	100.0
110.10497	3.2
111.08087	7.5
111.80422	0.8
115.03946	5.9
120.08117	2.5
121.10118	1.1
123.04459	1.4
123.08083	2.8
123.11698	22.1
127.03947	4.2
133.04956	8.4
133.10144	3.3
137.05994	0.8
141.12759	1.5
145.04965	6.2
150.07675	0.8
151.11183	46.8
152.11552	1.5
163.06036	2.1
169.12245	64.5
170.12601	2.2
173.12723	0.8
223.06071	0.9
241.07137	1.1
259.08173	1.9
270.59555	0.9
281.11444	1.0
296.25543	0.7
301.16528	0.9
303.04831	1.2
313.16455	1.8
317.06595	2.6
318.06802	6.0
331.17413	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01877	16.5
55.05508	2.8
57.03441	26.0
57.14269	1.7
59.04992	4.8
59.09298	1.8
61.02928	9.2
67.05495	7.9
69.03435	33.1
71.01353	6.3
71.05000	3.5
71.30827	2.1
72.04505	2.5
73.02918	47.0
79.05482	3.6
81.03417	7.4
81.07054	16.4
85.02906	78.2
87.04471	6.1
91.03939	4.2
91.05465	3.0
93.07047	29.2
94.43191	1.9
95.04974	2.4
95.08611	82.6
96.08879	2.2
97.02898	49.7
99.04424	3.8
103.03953	2.7
105.06998	2.9
109.02895	5.3
115.03933	27.8
117.06995	2.6
119.08623	2.5
123.04478	2.4
123.11715	23.8
127.03932	20.4
131.08568	3.4
132.06624	3.0
132.13586	1.8
133.04977	46.5
137.06012	11.5
144.06635	3.7
145.04965	29.1
150.07651	7.4
151.03867	2.2
151.07541	3.4
151.11191	22.2
151.89830	1.9
152.07980	2.1
153.01901	1.9
161.05998	2.7
162.07642	2.9
163.06012	7.6
169.12247	100.0
170.12616	4.2
180.08652	4.4
183.11748	2.2
189.09105	2.1
207.10127	2.5
241.07010	3.3
259.08124	4.6
297.11157	2.3
303.04855	2.2
317.06546	5.3
318.06979	10.7
366.35236	1.8
395.35049	1.8
421.23566	2.3
481.16772	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97720	2.8
55.01871	17.7
57.03439	30.8
61.02922	13.3
67.05503	19.4
69.03373	42.1
69.07053	6.4
69.53591	3.4
71.01363	5.9
71.04993	7.2
73.02921	48.2
75.25787	3.6
79.05489	4.1
81.03436	6.7
81.07063	28.7
83.05007	4.3
84.44202	3.1
85.02914	100.0
87.04495	6.8
91.05479	4.5
93.07035	7.5
95.08627	6.6
97.02899	61.3
99.04460	4.7
107.08581	6.5
109.02876	8.9
109.06574	6.2
109.10164	60.9
115.03944	42.9
123.04376	5.0
123.08109	4.3
123.11716	75.3
127.03928	30.0
132.06558	4.9
133.04980	67.0
137.05997	20.9
144.06575	5.0
145.04976	38.9
150.07599	8.2
151.03879	3.4
151.11188	23.4
161.05969	4.2
163.06039	10.4
169.12256	79.1
180.08725	6.9
223.06010	4.4
241.07091	6.7
259.08099	5.6
295.10358	3.5
313.16574	4.5
328.41260	3.3
480.21057	7.6
480.27969	4.6
481.21902	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	8.5
57.03440	14.4
59.02539	1.3
59.58933	1.1
61.02933	7.7
67.05500	5.0
69.03081	1.8
69.03429	23.3
69.03777	2.3
70.42012	1.6
70.42363	2.8
71.01348	3.6
71.04980	1.0
72.10761	1.1
73.02916	25.1
73.90450	1.1
81.03430	3.5
81.07056	3.7
81.84564	1.1
85.02902	43.1
87.04475	4.8
91.03946	1.3
93.06990	1.3
95.08610	2.8
97.02891	31.5
98.03202	1.4
98.13679	1.0
99.04494	1.4
103.03931	2.3
107.08604	3.5
109.02911	3.3
109.10155	100.0
110.10513	3.0
115.03918	17.7
123.11721	4.4
127.03917	11.1
132.06558	2.6
133.04961	27.9
137.05984	9.7
144.06577	2.9
145.04961	15.7
150.07614	3.9
151.11153	3.7
154.90837	1.1
162.07710	1.4
163.06044	4.4
169.12239	64.8
170.12598	2.7
180.08649	2.8
223.05919	1.8
225.14883	1.2
226.78111	1.3
241.06844	2.3
259.08105	3.3
318.06589	1.4
416.73071	1.3
480.21188	1.6
481.11414	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	10.5
57.03442	18.7
59.05000	6.2
67.05460	5.3
69.03435	26.4
69.07069	69.8
69.07414	5.6
70.16591	16.7
71.01337	5.7
73.02924	33.7
77.44521	4.2
79.32310	4.1
81.07065	22.3
85.02905	57.6
87.04467	6.3
94.97314	4.1
97.02899	45.4
109.10140	9.3
115.03944	28.2
116.17430	4.5
123.11718	100.0
127.03940	19.2
129.95410	4.7
133.04948	33.1
145.04950	23.6
151.11179	76.2
157.53589	4.2
163.06094	8.0
169.12242	9.6
175.80040	5.0
211.11990	4.8
283.15421	13.8
324.77017	4.4
507.14264	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.0
55.05508	0.6
57.03436	3.0
59.05004	0.6
59.73460	0.3
61.02922	1.0
67.05504	5.5
69.00967	4.0
69.03436	2.7
71.01361	0.8
73.02918	3.1
79.05499	0.9
79.08778	0.4
81.07054	5.3
85.02906	4.7
87.04469	0.7
91.05492	1.1
93.07051	1.5
95.04971	3.4
95.08596	0.9
97.02887	3.5
98.23398	0.6
105.07051	1.3
107.08589	8.3
109.06518	4.5
109.10156	100.0
110.10479	2.7
115.03916	1.7
123.08083	0.7
123.11697	5.8
127.03923	1.2
133.04115	0.4
133.04959	2.0
133.10115	4.1
137.05980	1.6
150.07607	0.7
151.11180	71.3
152.11513	1.5
169.08650	2.1
169.12241	65.3
170.12564	2.4
223.10075	0.4
259.08057	0.6
331.17603	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01865	1.8
55.05497	0.6
55.94778	0.5
56.84245	0.4
57.03439	7.9
57.07064	1.3
59.05002	4.5
61.02919	1.7
64.27542	0.4
65.03951	0.5
67.05500	7.2
69.03432	14.7
69.07070	0.8
69.14957	2.3
69.15368	1.3
71.01357	0.9
71.05003	2.7
73.02917	5.0
73.06532	0.5
79.05493	1.4
81.03411	1.3
81.07056	12.5
83.08612	0.8
85.02903	19.6
87.04466	7.4
91.05464	1.4
93.07033	2.1
95.04978	2.6
95.08595	1.7
97.02895	14.8
97.06516	1.0
99.04446	4.1
103.03895	0.5
105.07040	1.5
107.08595	7.2
109.02885	1.0
109.06519	9.5
109.10155	55.4
110.10485	1.0
111.08080	19.7
113.06002	1.2
115.03929	13.1
121.10176	0.8
123.08086	3.9
123.11710	27.4
124.12085	1.0
125.09616	1.3
127.03902	3.4
133.04961	13.1
133.10129	2.9
141.12743	4.2
145.04921	2.9
149.09630	0.6
150.07617	1.8
151.11182	26.3
152.11523	1.2
163.05969	1.3
167.10687	0.9
169.12241	100.0
170.12589	3.1
193.12148	0.7
196.76257	0.5
241.07037	0.6
259.08188	1.3
265.14468	0.6
283.15302	2.2
295.10211	0.7
313.16525	0.8
331.17490	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01871	1.9
55.05507	1.1
57.03438	6.5
57.07077	2.0
59.04997	4.9
61.02918	3.9
64.83109	0.7
65.03958	0.8
67.05508	4.8
68.25355	0.8
69.03430	18.9
71.01336	0.9
71.04997	2.7
73.02931	4.6
78.38357	0.7
79.05492	1.2
81.03418	1.8
81.07056	17.2
83.05001	0.9
83.08619	3.7
85.02907	26.3
86.03249	1.9
87.04464	6.1
91.03963	1.6
91.05489	2.7
92.51270	0.7
93.03419	1.6
93.07048	3.5
95.04971	3.8
95.08606	9.0
97.02892	14.9
98.03246	0.9
98.23353	1.8
99.04458	3.5
105.07026	1.3
107.08582	5.7
109.02854	1.4
109.06515	16.0
109.10146	11.3
111.08073	18.4
113.06007	1.1
114.65919	1.0
115.03917	13.4
121.02861	1.2
123.08062	3.4
123.11703	42.9
127.03940	3.9
133.04979	12.6
133.10152	4.0
137.05081	0.8
137.05991	5.0
138.06311	1.7
141.12759	2.2
145.04984	3.7
150.07611	1.6
151.03925	2.2
151.07541	2.7
151.11177	36.0
152.07903	1.2
153.01828	6.4
153.11246	0.8
153.12613	0.9
154.02180	2.6
161.05948	1.0
163.05956	1.2
165.01843	1.0
169.12234	100.0
170.12630	2.8
204.03714	0.8
229.04906	2.4
230.05403	2.2
245.04434	0.8
246.05139	1.4
247.05615	1.2
258.04803	1.9
259.08237	1.1
266.08728	0.9
273.03897	1.1
274.04541	3.4
275.05084	3.1
285.03864	1.0
286.04312	2.5
297.10944	1.0
298.11444	1.1
301.16550	1.0
302.04340	5.4
303.04639	9.0
317.06561	29.8
317.10327	1.5
318.06876	73.4
319.07065	3.7
330.06732	0.9
331.17542	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	6.4
57.03442	10.5
59.05000	2.2
60.04518	2.5
61.02928	4.1
67.05502	6.9
69.03431	14.5
69.07058	2.1
70.06591	58.5
71.05001	2.4
71.28931	2.4
73.02930	11.5
73.35381	1.8
75.43700	1.8
79.05490	12.8
81.03415	2.8
81.07058	30.5
85.02911	26.3
91.05484	29.8
93.07032	5.2
95.04948	4.9
95.08608	8.4
97.02899	18.9
105.07040	18.5
107.08584	14.7
109.02895	3.2
109.06535	6.9
109.10142	11.5
115.03909	9.0
115.04663	1.8
118.06564	3.8
121.10149	11.5
123.08080	6.8
123.11710	65.9
124.07581	2.2
127.03935	6.9
130.38055	2.0
131.08582	2.3
133.04948	10.0
133.10123	37.9
136.07509	1.7
137.02373	5.8
137.05991	7.9
145.04956	8.3
146.05980	4.0
151.11186	66.7
152.11565	4.1
157.09753	6.3
162.05432	2.2
163.06053	4.2
169.04985	8.4
169.12234	100.0
175.12019	2.1
185.09200	2.7
201.09810	7.6
301.11444	2.0
319.04568	2.9
319.12689	3.6
332.56140	2.1
421.13916	3.1
437.68707	5.4
481.20294	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.2
53.03947	1.3
53.11077	1.0
55.01880	7.0
55.05511	2.4
56.12941	1.2
57.03436	15.0
57.42287	1.4
61.02917	4.2
67.05498	4.4
67.66563	1.1
69.03090	1.3
69.03433	18.7
69.07068	6.6
69.42217	8.3
71.01357	3.9
73.02914	19.4
74.23256	1.2
79.05505	2.7
79.31366	1.2
81.03412	3.4
81.05407	1.3
81.07054	20.6
83.04973	2.0
85.02910	40.3
87.04465	3.0
91.05493	3.7
93.07041	4.3
95.04990	1.6
95.08620	6.1
97.02897	22.1
98.51160	1.2
99.04499	2.2
103.03941	2.0
105.07039	3.6
107.04935	1.4
107.08582	4.8
109.02872	3.0
109.10159	4.8
115.03909	13.6
119.08581	2.0
121.06506	1.7
121.10179	1.5
123.04495	1.7
123.11711	49.0
125.09635	2.3
127.03914	10.1
129.06992	1.7
133.04968	21.8
133.10112	1.5
135.08069	3.5
137.05988	11.4
138.06316	4.1
138.36536	1.4
144.06651	2.2
145.04974	13.4
150.07648	2.1
151.07555	5.2
151.11177	100.0
152.07886	3.8
152.09528	1.2
152.11526	4.1
153.09077	3.2
161.05962	3.2
162.07646	1.8
163.06029	4.3
166.76337	1.4
169.12239	56.2
170.12556	2.0
189.09045	2.1
190.09288	1.7
195.10135	4.5
217.07147	2.1
223.05916	2.5
227.10658	1.2
228.96786	1.3
238.09666	1.5
241.07043	3.0
246.10001	1.2
259.08157	2.0
269.04440	1.6
280.10599	1.3
283.15335	1.8
317.06775	1.3
480.28162	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0977
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
50.00428	0.7
52.69706	1.0
53.03936	1.0
57.03440	0.9
61.02927	5.1
68.99788	2.1
69.03425	2.5
69.80984	3.5
73.02915	2.5
79.05496	0.8
81.03413	1.3
83.50637	0.7
85.02894	7.1
91.03984	2.2
91.05489	2.3
93.07066	0.8
94.04164	0.9
97.02891	5.1
105.07043	0.9
107.04929	1.7
109.02878	1.2
109.10175	2.1
110.10503	0.8
111.00789	2.0
119.04940	2.0
122.03636	2.0
125.75565	0.8
127.03930	1.3
131.04968	0.8
137.02380	1.8
137.05971	22.5
147.04385	1.0
151.03931	1.2
151.06393	0.8
151.07536	2.5
151.11169	1.1
153.01822	11.5
153.12706	0.8
154.02025	0.7
161.05956	4.5
161.09567	0.9
163.07529	2.3
165.01830	3.0
166.02736	1.2
169.12259	3.5
170.12592	1.9
175.84224	0.8
177.05544	0.8
179.03397	1.3
183.02936	1.3
189.05464	0.9
189.09126	1.6
194.07306	0.9
207.10136	2.5
217.04921	4.6
245.04474	6.4
250.28088	0.8
263.05423	0.8
265.08670	2.5
273.03922	5.1
285.11209	1.5
287.12738	2.1
290.04367	0.8
297.11325	1.7
301.03348	2.0
311.12903	1.0
313.14297	0.8
315.12283	2.3
319.04474	100.0
320.04788	5.5
331.04529	1.1
331.15344	1.2
371.53369	1.0
509.64850	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
66.25549	0.3
67.13281	0.3
69.03437	0.6
69.07055	0.5
70.06603	0.4
79.05489	0.3
79.57230	0.3
81.07053	0.7
83.01118	0.3
85.02886	0.4
90.30766	0.3
91.05461	0.3
93.07053	0.5
95.04964	0.4
95.08655	0.3
97.02860	0.4
107.08572	0.3
113.02096	0.4
113.06065	0.3
117.06976	0.3
123.04411	1.4
123.11769	0.3
129.06944	0.3
135.45795	0.3
137.05977	3.9
138.06300	0.4
149.05974	0.4
151.03856	0.4
151.07585	0.4
153.12762	0.4
155.03174	0.9
155.08612	0.3
166.07649	0.3
167.07074	0.3
169.04764	0.5
171.02727	0.4
173.04230	0.8
177.05551	0.7
183.34384	0.3
185.04234	0.6
186.06555	0.6
189.05551	0.7
215.05241	2.5
229.06879	1.1
245.06325	0.7
259.05777	0.5
275.07520	0.6
285.11206	0.4
291.08350	0.5
299.09140	2.2
301.08926	0.5
303.05017	0.8
317.08432	4.2
319.04495	0.3
329.06357	0.3
331.11441	0.3
349.12604	2.4
351.09778	0.4
440.12750	0.4
481.16748	100.0
482.17123	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1681
Annotation	Bruceine B
Peak:m/z	Relative Intensity
59.57144	0.3
63.79964	0.2
79.05510	0.3
81.07075	0.3
93.06963	0.3
97.02917	0.4
98.69204	0.3
105.07040	0.4
107.04918	0.3
114.53474	0.3
118.43903	0.3
122.03645	0.4
123.04445	0.4
127.03698	0.7
137.05977	3.8
149.05986	0.4
150.37045	0.3
163.17288	0.3
179.07037	0.4
186.06471	0.6
215.05260	0.6
229.06921	0.8
259.05759	0.4
272.15921	0.4
297.11133	0.4
303.04730	0.3
317.08481	2.9
318.41522	0.4
333.47620	0.3
349.12518	1.1
440.12894	0.5
481.16785	100.0
482.17130	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.05511	55.1
58.10664	0.7
67.05505	1.0
69.30098	2.2
69.30506	5.0
81.07063	1.5
83.04979	55.7
91.05492	1.3
93.07033	1.1
95.08601	3.1
97.86662	1.0
98.23409	1.4
105.07047	1.3
107.08610	1.2
119.08559	1.8
129.07030	0.9
131.08580	1.0
133.10117	1.0
143.08578	1.9
145.10106	2.4
155.08601	1.0
157.10149	2.2
169.10121	0.9
171.11810	1.8
181.10051	1.2
183.11646	1.4
185.13214	1.0
191.08606	1.2
193.10190	1.8
195.11742	2.6
202.07726	1.4
203.08617	1.2
205.06555	1.7
207.11705	2.0
209.09627	1.3
209.13103	1.7
218.07239	1.2
219.08109	2.6
219.10042	0.8
220.08781	2.2
221.09608	1.0
221.13213	1.7
231.08064	2.3
232.08835	1.7
233.06015	2.0
233.09677	1.7
235.07564	2.7
235.11237	1.6
235.14714	1.6
236.08398	1.3
245.09532	0.9
246.06772	1.4
247.07516	3.2
248.08282	6.0
249.09074	4.6
250.06325	0.9
250.09717	1.5
251.10698	1.1
259.07471	1.7
260.08545	1.0
261.05725	1.0
261.09119	4.1
262.06293	2.1
262.09537	1.7
263.07199	4.5
263.10559	4.7
264.07733	2.4
265.08582	3.6
265.12741	0.8
267.13812	1.0
275.07016	5.0
275.10464	1.4
276.07837	5.5
277.08539	10.1
278.05496	0.8
278.09271	3.8
279.10150	5.9
288.07867	1.9
289.08615	4.0
290.05957	1.3
290.09286	4.5
291.06534	6.4
291.10129	8.7
292.07242	3.6
292.10999	3.0
293.08044	4.7
293.11093	1.0
295.82306	0.9
304.07343	2.8
305.07986	7.4
305.18985	1.6
306.08813	5.7
307.06229	1.3
307.09393	4.5
308.06967	1.2
308.10361	1.8
316.07355	1.6
317.08051	2.2
318.08868	4.3
319.06042	3.3
319.09659	8.5
320.06750	6.6
320.10440	4.3
321.07516	2.7
321.11139	4.8
322.11771	1.1
323.09351	1.2
323.12878	1.9
323.19986	2.3
331.09644	1.7
333.07632	2.0
333.11411	1.0
334.08331	14.1
335.09082	31.7
336.09665	3.3
349.07022	1.1
349.10660	30.6
349.14871	1.9
350.11453	44.2
351.08496	2.8
351.12207	13.2
353.13879	1.4
365.13718	1.7
366.10971	5.0
381.13300	100.0
382.13675	8.2
393.13492	1.5
399.14352	1.3
403.26404	1.6
417.27808	1.0
421.16385	1.1
421.27200	1.2
445.27521	1.7
463.28415	6.6
481.18567	1.8
481.29315	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	3.6
60.05658	1.7
64.18215	0.7
66.50011	0.8
70.06585	1.2
71.30343	0.9
71.30762	1.5
78.00591	0.8
78.05683	0.8
83.06113	1.3
85.02895	1.6
87.05598	0.9
95.06069	1.3
100.33502	0.7
105.03414	1.0
107.04903	0.7
111.05532	5.2
112.08761	0.9
113.07150	1.8
117.82335	0.8
120.04460	1.6
120.37072	0.8
123.04433	1.5
124.04675	0.8
126.06690	1.2
132.04462	8.5
132.08087	0.9
134.06029	2.6
137.04724	0.9
139.03903	1.1
140.08252	1.7
148.03970	1.0
150.05542	3.4
151.06125	4.2
155.58604	0.9
160.07649	0.9
165.06529	1.2
176.07097	1.2
187.08707	3.2
196.00922	0.8
196.31750	0.8
202.09825	3.3
203.08202	1.3
205.83238	0.9
230.09297	3.6
231.07655	18.7
233.13968	6.6
242.09232	2.2
246.08871	0.8
257.10388	2.6
259.11905	21.3
259.14496	1.5
277.12955	78.5
278.13266	2.9
284.11386	5.2
301.14191	2.1
302.12482	46.9
303.12878	2.4
319.15128	100.0
320.15518	5.3
481.20526	43.0
482.20837	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	3.6
60.05658	1.7
64.18215	0.7
66.50011	0.8
70.06585	1.2
71.30343	0.9
71.30762	1.5
78.00591	0.8
78.05683	0.8
83.06113	1.3
85.02895	1.6
87.05598	0.9
95.06069	1.3
100.33502	0.7
105.03414	1.0
107.04903	0.7
111.05532	5.2
112.08761	0.9
113.07150	1.8
117.82335	0.8
120.04460	1.6
120.37072	0.8
123.04433	1.5
124.04675	0.8
126.06690	1.2
132.04462	8.5
132.08087	0.9
134.06029	2.6
137.04724	0.9
139.03903	1.1
140.08252	1.7
148.03970	1.0
150.05542	3.4
151.06125	4.2
155.58604	0.9
160.07649	0.9
165.06529	1.2
176.07097	1.2
187.08707	3.2
196.00922	0.8
196.31750	0.8
202.09825	3.3
203.08202	1.3
205.83238	0.9
230.09297	3.6
231.07655	18.7
233.13968	6.6
242.09232	2.2
246.08871	0.8
257.10388	2.6
259.11905	21.3
259.14496	1.5
277.12955	78.5
278.13266	2.9
284.11386	5.2
301.14191	2.1
302.12482	46.9
303.12878	2.4
319.15128	100.0
320.15518	5.3
481.20526	43.0
482.20837	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.204
Annotation	Trp Phe Glu
Peak:m/z	Relative Intensity
53.03944	0.4
55.05503	0.7
56.73206	0.4
67.05518	0.7
68.73412	0.4
69.03438	0.8
71.30676	0.5
73.02923	0.5
79.05481	0.8
81.07060	1.2
83.04980	0.6
84.29773	0.5
85.02916	0.8
88.98612	0.4
91.05492	1.1
94.04204	0.8
95.08636	1.1
97.02868	0.6
102.76625	0.4
103.05477	0.4
105.07050	1.3
107.04970	1.0
107.08588	0.4
109.06542	1.0
115.05419	0.5
117.07046	0.5
119.04992	0.8
119.08605	0.4
121.06573	0.6
122.03654	1.4
123.04453	2.3
123.08089	0.8
129.06960	0.5
130.04132	0.4
131.04927	1.2
133.06517	0.7
133.10118	0.5
135.08054	0.5
137.05981	17.1
137.07040	0.9
138.06342	0.9
139.03912	0.7
145.10165	0.4
147.04456	1.4
148.05214	0.5
151.03909	1.3
151.07561	3.9
152.07881	0.6
153.01825	0.9
155.08583	0.7
161.06023	1.5
162.06612	0.7
163.04013	0.4
163.07547	0.4
165.05615	0.5
165.06992	0.8
167.07137	1.0
173.07321	0.4
177.05560	0.6
177.09097	0.5
179.07085	0.4
181.10077	0.6
189.09186	0.6
193.06577	0.5
194.07240	0.5
203.10663	0.5
205.06409	0.5
217.04953	0.4
225.09154	0.5
237.09140	0.7
255.06601	0.5
257.04266	0.5
265.08594	0.9
269.04398	2.1
273.03949	0.6
283.09708	0.5
285.04080	0.7
285.11227	2.0
297.04037	1.1
297.11298	1.6
304.05359	0.5
329.06708	0.6
335.14651	4.8
341.06482	1.3
421.20007	1.1
446.72940	0.4
463.10422	0.7
480.80695	0.6
481.11896	3.8
481.20474	100.0
482.20755	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01874	1.9
55.05506	3.4
57.03429	1.0
58.60916	0.9
59.04995	1.0
65.03936	2.0
67.05503	5.3
69.03422	12.9
69.07079	3.2
71.04993	0.9
79.05491	22.1
81.03418	2.4
81.07056	83.9
82.07404	2.4
83.04999	3.3
83.08623	1.3
85.02928	1.4
85.06567	0.8
91.05476	18.5
91.06011	1.3
93.07040	10.7
95.04966	9.2
95.08598	4.8
97.02901	2.0
97.06518	1.7
103.05487	1.5
105.07034	16.1
106.07332	1.0
107.04974	2.2
107.08609	5.8
109.02901	1.1
109.06517	33.0
109.10179	2.7
110.06883	1.2
111.04444	2.0
111.08069	1.6
113.05957	0.8
115.05434	5.2
116.06234	1.3
117.07016	13.0
117.07813	0.9
117.65103	0.8
119.04948	2.7
119.08587	8.8
121.06496	10.3
121.10155	2.4
123.04448	2.4
123.08080	4.1
125.06033	2.4
125.44367	0.8
128.05322	1.3
128.06219	9.7
129.07013	17.2
130.07787	1.8
131.04939	3.4
131.08557	15.6
132.05695	2.0
133.06491	9.9
133.10109	5.3
135.04414	3.5
135.08034	11.6
135.11679	1.3
137.02354	2.2
137.05972	100.0
137.09567	1.8
138.06310	3.8
138.68736	0.8
139.07504	1.4
141.06958	9.6
142.07787	8.1
143.08557	17.8
145.06468	9.2
145.10112	10.1
146.07213	1.5
146.10599	0.8
147.08057	8.3
147.11697	2.6
149.05974	2.6
149.09634	2.9
151.07603	2.2
151.11218	1.6
152.06235	1.6
153.05545	3.9
153.06955	4.1
154.07784	5.7
155.08556	20.5
156.09273	3.5
157.06514	3.2
157.10135	14.7
158.07306	2.1
159.08046	17.4
159.11729	2.9
160.08650	1.4
161.05988	2.6
161.09598	6.7
163.07538	5.0
165.05518	2.2
165.07042	7.8
165.09161	1.8
166.07758	3.7
167.07141	1.6
167.08580	7.4
168.09344	3.9
169.06480	2.1
169.10121	19.6
170.07233	1.9
170.10626	1.4
171.08055	8.6
171.11693	7.2
172.08853	3.2
173.06061	0.9
173.09616	23.0
173.13284	1.4
174.10333	1.2
175.07553	4.4
175.11159	7.9
176.08333	1.1
177.09140	1.6
178.07806	2.2
179.07028	6.3
179.08571	7.8
180.09314	3.8
181.06558	1.4
181.08621	1.1
181.10091	14.3
182.07329	1.1
182.10812	1.3
183.08061	3.4
183.11699	8.8
184.08769	1.5
185.09615	15.6
185.13257	2.3
186.10353	1.8
187.07610	2.6
187.11156	10.0
188.08360	1.0
188.12003	1.5
189.09100	9.4
189.12784	1.6
191.06978	2.8
191.08694	2.2
191.10707	1.5
192.09392	5.3
193.08551	1.7
193.10153	7.5
193.11871	1.3
194.10841	1.5
195.08054	3.2
195.11682	10.4
196.08774	1.8
196.12534	1.3
197.09624	4.4
197.11549	0.7
197.13277	5.4
198.10367	2.4
198.14046	0.8
199.11168	7.0
199.14795	1.1
200.11823	0.8
201.09099	1.6
201.12820	2.7
203.07016	2.0
203.08766	1.9
203.10614	13.4
204.09366	1.3
205.08464	1.2
205.10178	2.1
206.10939	2.6
207.11742	10.5
208.08830	1.0
209.09685	5.0
209.13248	6.2
210.10448	1.5
211.07632	1.4
211.11182	20.1
211.13127	1.5
211.14832	1.7
212.11800	2.5
213.09224	4.2
213.12726	18.0
215.10722	2.5
216.07687	1.3
217.08575	3.1
217.12286	2.0
218.09271	5.0
219.08276	0.9
219.09917	4.3
219.11823	2.5
220.12572	0.9
221.09724	1.0
221.13257	6.0
222.13945	0.7
223.11156	5.8
223.14745	1.9
224.11874	1.0
225.09264	1.7
225.12738	15.4
226.13263	1.4
227.10799	3.7
227.14305	8.9
229.08464	1.9
229.12196	1.5
231.10088	15.9
231.11986	1.2
231.13765	1.2
232.10419	0.9
233.09583	1.4
233.11371	4.1
233.13686	1.1
235.11180	2.1
235.14832	1.6
236.11929	1.5
237.12726	6.4
238.13303	1.5
239.10727	2.6
239.14333	4.2
241.12234	3.3
241.15919	1.8
243.13860	2.4
245.11494	5.1
247.11215	2.3
249.12672	3.3
250.13489	0.9
251.10600	1.0
251.14268	2.0
253.12265	2.8
253.16042	1.4
254.13023	3.2
255.13782	3.2
257.11633	1.6
259.10992	1.2
261.12799	2.3
263.12366	5.5
264.14603	1.0
265.12308	3.7
265.15781	1.0
267.13843	3.0
269.15393	2.0
273.15015	1.6
275.14154	1.3
279.13904	1.5
281.15332	1.2
283.13440	2.4
285.14938	3.2
289.12238	1.0
301.15372	1.2
312.14954	1.0
317.15353	2.0
326.15463	1.0
331.16983	1.6
335.16461	0.9
345.18454	1.4
355.16666	1.4
363.19443	1.3
373.17859	4.1
385.18106	1.0
387.19489	2.6
391.19019	65.4
392.19254	6.8
399.19516	1.1
403.18967	6.7
405.15323	1.6
405.20615	26.0
406.21356	8.0
407.21942	2.1
409.20264	2.0
417.20718	4.5
419.22046	1.9
421.20001	4.3
427.18958	1.5
433.20047	1.3
435.21411	4.3
437.23358	1.6
445.20126	3.1
451.21118	1.6
463.21088	6.7
481.22125	16.4
481.28766	2.7
482.22882	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12207	0.7
53.03949	2.1
55.01868	2.2
55.05501	2.1
61.41459	0.8
65.03934	0.9
67.05503	5.9
68.70364	0.8
69.03425	94.8
69.04068	2.4
69.07067	2.1
70.03745	0.8
71.04997	2.5
79.05499	6.7
81.03412	1.3
81.07050	7.2
83.04980	2.4
83.08636	0.9
87.04469	3.3
91.05480	9.2
93.07047	10.5
95.04962	4.1
95.08604	15.9
96.08962	0.8
97.02895	1.2
97.06529	6.2
98.22607	1.5
99.04445	3.7
103.05434	1.3
105.07031	12.9
107.04960	3.1
107.08603	6.2
109.06522	12.1
111.08070	6.6
113.05965	1.1
115.03942	2.0
115.05446	2.3
117.07024	2.5
117.26510	0.7
118.44041	0.9
119.04932	1.2
119.08583	7.2
121.06509	6.7
121.10124	5.4
123.04480	1.3
123.08068	14.5
125.05973	1.7
128.06204	3.7
129.07002	6.7
131.04913	1.7
131.08548	6.8
133.06450	4.5
133.10138	3.1
135.08046	5.0
137.05972	3.8
137.09595	1.2
139.07535	69.2
140.07924	1.3
141.06961	4.3
142.07790	1.7
143.04948	0.9
143.08545	7.8
144.05757	0.8
145.06461	5.1
145.10150	3.6
147.08002	5.4
149.05969	2.5
149.09587	5.1
151.07547	8.0
152.06258	1.2
153.05482	0.8
153.07001	3.4
154.07738	2.1
155.08549	9.0
156.09291	1.7
157.06488	2.4
157.10117	4.6
158.07347	1.3
159.08023	4.6
159.11652	1.3
161.05981	1.7
161.09593	2.7
163.07565	3.4
165.06998	5.2
165.09065	4.6
166.07800	2.3
167.07072	3.2
167.08612	6.9
168.09329	2.6
169.06525	2.0
169.10114	8.7
170.10741	1.1
171.08038	8.2
171.11711	3.7
172.08733	0.9
173.05991	1.6
173.09586	5.6
175.07588	2.6
175.11229	1.8
177.05499	0.7
177.09128	4.4
178.07800	3.2
179.07166	1.3
179.08551	7.4
179.09979	0.9
179.10687	1.0
180.09332	3.8
181.06519	2.6
181.08678	2.0
181.10153	8.0
182.10840	1.0
183.08046	6.0
183.11597	3.8
184.08725	0.7
185.05948	1.2
185.09644	3.5
185.13255	1.0
187.07558	2.0
187.11148	1.9
189.09125	1.4
190.07826	1.5
191.08533	3.6
192.09341	4.1
193.06529	0.9
193.08560	3.1
193.10172	8.2
194.07263	1.1
194.10870	2.3
195.06444	2.1
195.08099	7.4
195.09854	1.0
195.11670	5.6
196.08867	2.6
197.07928	1.2
197.09578	6.5
197.13327	1.8
198.10516	0.8
199.11143	5.3
201.09160	2.1
201.12625	0.9
202.07773	2.0
203.08600	2.8
203.10553	1.2
204.09349	2.7
205.10095	4.8
206.10896	3.6
207.08055	3.8
207.11786	4.6
208.08821	3.0
208.12485	1.1
209.09634	9.2
209.13274	2.6
210.10347	2.8
211.07539	1.9
211.11162	5.8
213.09129	2.7
213.12624	1.2
215.08585	2.3
215.10757	2.2
216.09372	2.1
217.10213	4.7
217.11969	1.1
218.10901	3.2
219.08076	2.1
219.11716	5.7
220.08821	2.1
220.12498	2.2
221.09642	5.2
221.13293	3.7
222.10384	3.1
223.07637	2.5
223.11272	5.3
225.09123	2.5
225.12804	4.0
227.10663	2.4
227.14354	1.2
228.09229	1.3
229.10095	2.8
229.12291	3.0
230.10805	4.9
231.08069	1.4
231.11934	4.6
232.08823	1.9
232.12445	1.8
233.09607	3.4
233.13536	1.4
234.10353	2.0
235.11252	5.9
235.14888	2.0
236.11945	1.3
237.09071	2.2
237.12755	8.3
238.13373	1.3
239.10793	3.0
239.14268	1.4
241.10126	1.2
241.12251	2.7
243.11685	2.6
243.13806	2.4
244.12529	2.2
245.09641	3.3
245.13458	5.4
246.10405	1.9
246.14006	1.8
247.11179	7.3
247.14876	2.6
248.11931	1.6
249.09058	1.1
249.12758	5.0
250.09958	1.2
250.13419	1.4
251.10693	4.2
251.14493	1.6
253.12321	3.2
253.16003	0.9
254.10918	0.9
255.11787	1.2
255.13971	1.8
256.12543	2.5
257.09543	1.1
257.13486	1.3
258.10376	2.5
258.14093	1.0
259.11169	3.5
259.14893	2.8
260.11972	1.6
260.15616	0.9
261.08942	1.3
261.12961	4.2
261.16278	1.9
262.09897	1.0
262.13538	1.2
263.10681	3.7
263.14297	9.5
264.11472	2.6
264.14914	1.0
265.12283	7.4
265.16003	1.9
267.13873	4.8
268.12372	1.1
269.11609	2.6
269.13675	1.7
271.11072	1.7
271.13446	1.1
271.15033	1.2
272.11917	1.9
273.12762	7.5
273.16098	1.5
274.13446	3.1
275.10690	1.6
275.14264	1.8
277.12320	2.3
277.15778	1.4
279.10464	1.5
279.13843	3.3
279.17593	1.1
281.11575	1.0
281.15460	2.6
283.13132	5.8
285.12704	2.4
286.13492	1.3
287.11258	1.0
287.14377	6.4
289.12173	1.7
289.15820	3.4
290.12854	0.9
291.13815	11.9
291.17090	1.5
292.14536	2.4
293.11694	2.1
296.12027	0.8
298.13144	0.9
299.14343	1.5
301.12640	1.0
301.15948	2.7
303.14093	1.1
303.17419	2.0
305.11926	1.3
305.15390	3.9
305.18890	1.8
307.13351	2.9
307.16968	3.8
309.14981	5.9
311.14270	1.5
311.17783	1.2
313.15726	1.3
314.12927	1.0
315.13815	4.4
315.17197	1.3
317.15381	2.3
319.13123	1.1
319.16711	1.8
323.16492	1.8
325.14590	1.5
329.15283	2.4
329.19046	3.7
331.13443	1.2
331.17010	2.3
331.20578	1.9
332.13849	1.2
333.14835	7.7
333.18512	2.5
334.15689	1.1
339.17441	3.8
343.16803	2.5
345.14847	1.7
347.16418	1.7
347.20105	3.7
349.18039	2.2
351.15942	12.4
357.14713	1.4
357.18494	10.4
359.16306	2.1
359.20215	1.3
361.18024	2.6
365.21356	1.1
367.16739	1.6
369.17029	2.7
371.20163	1.9
373.21811	1.7
375.19571	14.8
376.19983	2.3
377.17325	2.4
377.21268	2.2
379.19223	1.3
381.18573	1.3
385.17981	8.1
386.18555	1.0
391.22729	3.2
393.20654	10.7
394.20624	0.9
399.19647	4.8
401.21399	2.4
403.19052	24.5
404.19501	3.2
405.17017	2.7
409.17825	1.0
417.20676	8.0
419.22302	4.6
421.20053	100.0
422.20465	10.9
423.17734	1.7
427.18820	4.1
435.21643	10.9
436.22076	1.1
437.23584	8.2
439.21091	4.8
445.20102	10.4
446.20798	1.0
453.22705	3.7
463.14340	0.9
463.15897	0.5
463.21097	28.5
464.21478	2.6
481.22192	46.9
482.22418	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82672	2.0
51.73802	1.9
53.03946	5.3
55.01874	5.7
55.05507	5.3
59.84457	2.0
63.52785	1.8
65.03943	1.8
67.05498	13.2
69.03428	67.5
69.07064	5.0
70.03750	1.8
71.04979	4.2
71.31783	2.6
76.28088	1.7
79.05495	16.4
81.03400	2.7
81.07056	73.0
83.04964	4.9
83.08611	3.2
85.06519	2.0
87.04449	3.7
91.05471	17.1
93.07050	17.7
95.04977	10.7
95.08599	24.2
97.02906	3.2
97.06535	10.9
105.07037	19.4
107.04939	5.4
107.08590	11.1
109.06508	38.7
109.10125	4.4
111.04435	3.0
111.08073	6.5
115.03954	2.3
115.05433	2.4
117.07029	10.3
119.04927	2.8
119.08571	12.9
121.06503	10.1
121.10134	4.5
123.08063	20.2
125.09595	2.3
128.06200	7.9
129.06987	13.6
130.07784	2.6
131.04907	2.8
131.08556	12.6
133.06522	8.5
133.10129	6.1
135.08025	5.3
137.05972	100.0
137.09605	2.9
139.07521	41.0
141.06981	7.5
142.07791	6.7
143.08536	17.6
144.05724	2.4
145.06477	8.6
145.10132	10.6
146.07176	2.7
147.08046	9.4
147.11682	2.8
149.05969	5.9
149.09645	8.7
151.07550	7.2
153.05486	2.9
153.06967	4.5
154.07777	3.2
155.08530	17.4
157.06477	5.7
157.10086	10.3
158.07236	2.7
159.08057	8.9
159.11713	4.9
161.09616	7.1
163.07591	3.1
163.11179	2.4
165.07010	9.0
165.09126	5.1
166.07703	2.5
167.07056	6.6
167.08545	9.0
169.10114	15.9
170.10785	2.5
171.08061	13.1
171.11664	5.7
172.08746	2.4
173.09615	19.7
174.10370	4.0
175.07584	4.3
175.11217	9.7
177.09108	6.2
178.07802	6.7
179.08601	9.7
180.09381	4.8
181.06435	4.3
181.08702	2.9
181.10104	10.4
182.10739	2.8
183.08069	9.2
183.11658	6.3
185.09598	9.9
185.13322	2.0
186.10344	3.2
187.07617	3.5
187.11130	7.9
189.09172	6.9
189.12741	5.0
191.08517	3.9
192.09300	2.9
193.08629	2.7
193.10132	12.8
193.11836	2.2
194.10809	4.3
195.08000	9.8
195.11688	7.4
196.08794	4.1
197.09596	12.0
197.13216	3.4
198.10242	3.3
199.11188	8.5
201.09174	5.0
201.12660	2.9
202.07719	2.9
203.08563	5.7
203.10695	6.4
204.09338	5.1
204.11348	3.3
205.10123	6.2
206.10905	6.0
207.08017	4.4
207.11722	10.0
208.08910	2.7
208.12259	2.3
209.09656	10.3
209.13243	5.6
210.13420	2.0
211.07477	2.7
211.11192	8.4
213.09154	5.1
213.12709	3.6
215.10680	4.3
216.09300	4.5
217.10159	6.4
218.10887	3.7
219.08069	2.8
219.11700	6.1
220.08858	2.2
221.09634	7.5
221.13191	9.7
222.10371	3.9
223.07573	3.1
223.11200	6.9
225.12714	8.0
227.10721	3.5
227.14429	2.5
229.10121	3.3
229.12160	2.5
230.10876	5.7
231.11691	6.5
232.08813	2.3
233.09657	4.8
233.13261	4.4
234.10440	3.9
235.11195	9.3
235.14896	3.8
236.11937	3.9
237.09230	2.0
237.12685	10.4
239.10674	2.4
239.14235	4.6
241.12245	5.3
243.13870	3.9
245.13417	10.0
246.13983	2.4
247.11278	9.3
247.14825	3.9
248.11841	2.7
249.09097	3.1
249.12657	9.5
251.10551	3.4
253.12239	3.0
255.13809	2.9
257.13153	2.3
258.10556	2.3
259.11182	4.1
259.14746	3.1
261.12735	4.8
261.16245	2.8
262.09772	2.2
263.10846	4.4
263.14371	13.0
265.12238	12.9
265.15942	4.0
267.13922	9.6
272.11880	2.4
273.12677	7.9
273.16196	2.8
274.13382	2.6
277.15961	2.3
279.10498	2.5
279.13879	3.2
281.15390	4.1
282.43378	2.3
283.13275	5.9
285.16348	2.3
287.14200	8.0
289.12289	3.2
289.15866	6.0
291.13724	15.0
292.14560	3.4
297.11292	3.8
301.15924	2.9
305.15485	4.6
307.16858	5.8
309.14728	4.3
314.15369	2.3
315.13980	2.8
325.14645	2.6
329.19086	4.4
331.17093	3.7
333.14932	10.4
333.18286	3.0
339.17426	3.3
347.20001	2.9
349.18121	2.6
351.15906	12.9
357.18533	4.7
361.18192	2.3
369.16818	5.4
375.19537	14.9
377.21024	2.9
385.18021	5.7
393.20682	9.5
399.19455	6.6
403.18985	30.4
404.19733	2.6
405.20728	13.5
406.21259	4.2
407.22198	2.5
414.85999	2.3
417.20563	6.8
419.22147	6.0
421.20053	84.0
422.20401	8.1
427.18851	4.0
435.21307	9.5
437.23157	7.4
439.21237	6.9
445.19705	10.1
448.18173	2.1
451.21176	25.4
453.22849	5.1
463.20947	27.3
463.26993	3.0
464.21500	2.8
481.22192	69.0
481.28882	11.7
482.22476	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43258	3.5
50.82313	4.0
53.03949	7.7
55.05505	13.2
57.07065	3.5
67.05494	14.0
68.83489	3.6
69.03421	5.7
69.07063	13.1
69.19821	29.3
69.20216	7.4
71.04980	3.6
79.05484	13.5
81.07055	27.5
83.04988	36.9
85.06533	5.8
91.05489	28.9
93.07049	38.1
95.04981	7.8
95.08624	40.7
97.06528	9.8
105.07033	38.3
107.08595	28.9
109.06527	6.7
109.10157	12.0
111.04442	18.2
111.08082	11.8
117.07032	13.5
119.08590	42.9
120.19178	3.6
121.06487	9.4
121.10156	21.5
123.08063	13.0
128.06207	8.6
129.07005	13.4
130.24680	3.6
131.08566	31.2
133.10123	31.0
135.08055	9.4
135.11708	6.2
137.06035	4.1
139.07571	6.0
141.06979	5.2
142.07732	10.2
143.08574	32.3
144.09216	5.8
145.10121	40.0
147.08037	10.4
147.11674	17.9
149.09656	8.8
153.07074	4.7
155.08496	25.1
156.09338	12.8
157.06470	5.5
157.10139	42.2
159.08044	11.4
159.11731	26.7
161.09601	15.0
161.13171	6.0
163.11211	10.0
167.08516	9.0
168.09392	8.3
169.10138	45.4
170.10803	8.0
171.08037	4.0
171.11667	28.6
172.08871	4.1
173.09592	12.2
173.13234	18.0
175.11192	7.3
176.48253	3.8
179.08562	9.6
179.10690	6.3
180.09273	5.6
181.10175	23.1
182.10847	8.7
183.11679	36.4
184.12393	4.2
185.09616	10.8
185.13249	16.6
187.11267	6.8
187.14804	7.4
189.12964	4.6
191.10703	7.5
192.09445	4.3
193.10114	10.8
194.10849	6.0
195.11699	24.6
196.12320	8.6
197.09644	7.0
197.13254	20.4
198.10631	3.7
199.11169	11.1
199.14857	16.5
201.12775	14.2
205.10172	6.9
205.12170	4.5
207.10081	6.2
207.11723	14.1
208.12384	5.3
209.13234	27.8
211.11116	7.7
211.14865	18.5
213.12753	7.3
213.16399	6.5
219.11627	5.0
221.13258	16.3
223.14748	18.7
225.12767	5.9
225.16266	7.8
227.10771	4.6
227.14233	9.3
229.12248	9.7
229.15887	4.1
232.12631	4.6
233.13341	8.0
235.14902	15.2
237.16428	8.9
239.14352	8.0
241.16026	4.2
243.17497	4.7
245.13156	7.0
245.15393	8.6
246.13902	4.8
247.14810	8.9
247.17076	5.1
249.16306	13.7
251.14441	7.2
251.17999	7.5
253.15848	10.1
255.13757	5.3
255.17378	4.4
263.14178	4.7
263.17926	9.0
265.15726	7.6
267.13870	7.0
267.17380	8.0
271.16980	7.5
277.16016	5.7
277.19446	6.5
279.17181	7.8
281.15356	8.5
281.18756	4.3
283.16913	7.7
291.17535	4.8
295.17108	8.0
297.18625	9.2
305.19073	9.4
307.17203	4.3
307.20584	10.5
309.18454	5.6
323.20084	16.7
325.21533	15.0
341.21036	9.8
343.21008	4.7
349.21786	5.9
364.24036	4.3
375.53708	4.3
403.26297	16.6
407.22235	6.1
417.27747	9.4
421.27692	7.6
427.26434	9.5
435.28940	8.7
445.27509	34.0
446.28223	4.1
463.28409	68.3
464.28659	8.5
481.29425	100.0
482.29736	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	15.1
55.40639	4.2
59.10559	4.2
67.05494	27.8
69.07072	9.7
69.45561	12.2
69.45996	15.8
75.41396	4.0
79.05492	20.9
81.07068	33.3
83.04977	22.6
85.06563	4.8
91.05473	26.4
93.07057	31.0
95.04975	11.5
95.08606	59.5
96.08936	4.3
98.23400	5.3
105.07037	28.9
107.04929	5.8
107.08617	33.5
109.06559	9.1
109.10172	34.5
111.04452	12.7
111.08087	16.6
116.06231	5.2
117.07018	9.6
119.08564	35.7
121.06487	6.8
121.10145	20.6
123.08043	9.1
129.06963	13.2
131.08588	25.0
133.06506	7.6
133.10101	25.3
133.84074	4.1
135.08054	11.9
135.11694	6.9
137.09622	12.7
141.06978	7.8
141.09138	8.2
142.07790	14.2
143.08559	25.5
145.06511	4.2
145.10124	30.6
147.08105	7.8
147.11696	14.1
149.09682	5.5
153.06960	4.0
155.08565	25.6
155.10670	6.7
157.10127	48.2
159.08055	5.7
159.11685	28.0
161.09653	10.7
161.13289	5.3
163.11163	8.2
165.07030	4.6
166.07716	7.3
167.08554	11.0
168.09235	7.2
169.10132	28.5
170.10876	5.5
171.08043	8.7
171.11728	27.2
173.09587	9.8
173.13333	5.2
175.11179	9.8
179.08572	12.8
180.09348	8.4
181.10124	18.2
182.10883	7.9
183.11748	35.8
185.09669	7.5
185.13272	16.0
187.11134	9.7
189.12695	6.3
191.08566	4.8
192.09322	5.9
193.10109	15.8
194.10864	7.8
195.11679	39.6
196.12317	11.1
197.09587	7.8
197.13264	19.9
199.11104	8.8
199.14755	5.8
201.12733	6.5
201.16489	4.9
205.10274	6.2
206.10767	10.9
207.11713	39.2
208.12282	7.6
209.09702	5.0
209.13275	32.6
210.13718	6.5
211.07713	4.4
211.11137	7.7
211.14801	15.1
213.12820	6.4
215.10620	4.4
215.14279	4.8
219.11577	7.7
221.13306	36.8
222.13857	7.4
223.11130	11.2
223.14722	19.7
225.12749	11.4
225.16388	10.1
227.10632	10.0
229.12288	8.4
232.12425	4.4
233.13272	14.1
234.14035	5.5
235.14862	25.4
237.12703	9.5
237.16344	11.3
239.14270	11.3
243.13846	6.8
247.14807	10.0
247.17036	9.5
249.12631	5.0
249.16402	15.8
251.17735	4.5
255.13873	11.3
257.15427	8.9
261.16376	8.1
263.14551	11.9
263.17963	17.2
264.18494	5.2
265.15836	11.5
265.18860	6.3
267.13873	11.6
269.15530	6.8
274.96658	4.1
277.15829	7.9
277.19513	9.2
279.17432	8.9
281.15381	13.6
281.18790	4.2
283.16965	17.1
287.17914	5.9
291.17380	5.5
295.16916	8.3
297.18527	24.3
299.20007	5.1
305.18900	21.1
309.18729	6.5
321.18542	5.0
323.20053	100.0
324.20480	14.4
325.21533	11.2
341.21146	45.5
343.22284	8.2
349.21606	5.5
383.18396	4.8
401.24826	6.0
403.26526	7.1
427.26251	6.4
435.29102	6.4
445.27576	21.8
463.28589	48.2
464.28723	4.9
466.02914	4.6
481.29446	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2948
Annotation	Helisplendidilactone
Peak:m/z	Relative Intensity
53.03942	7.1
55.05499	13.2
63.92926	3.7
64.90886	3.8
67.05506	24.8
69.07061	13.3
69.52681	12.5
69.53091	10.8
70.03781	3.6
76.57444	3.7
79.05495	13.5
81.07059	34.7
83.04977	15.8
83.08617	5.5
85.06544	14.3
85.25677	3.5
91.05496	25.6
93.07028	36.3
95.04982	9.4
95.08609	69.3
105.07029	43.7
106.65208	4.0
107.08603	34.8
107.24789	4.5
109.06502	10.5
109.10144	17.3
111.04413	8.6
111.08091	12.0
117.07016	14.9
119.08594	35.0
121.06508	11.5
121.10142	20.2
123.08069	26.8
127.07561	4.0
128.06230	6.7
129.07025	14.4
131.08556	17.4
133.06526	4.1
133.10110	18.5
135.08034	11.7
135.11620	4.6
137.09612	7.6
141.06950	7.6
142.07764	14.1
143.08583	26.1
145.10110	31.2
147.08080	5.4
147.11734	12.4
149.09601	7.9
153.07037	5.7
153.09186	4.6
155.08560	33.5
156.09357	9.7
157.10126	46.5
159.08026	5.4
159.11665	35.3
161.09612	13.3
161.13232	6.2
163.11180	5.7
165.06985	7.0
167.08574	13.2
168.09267	6.4
169.10138	35.7
170.10872	4.9
171.08107	5.2
171.11684	23.2
173.09598	11.1
173.13293	12.5
175.11130	7.7
179.08557	13.7
179.10596	4.2
180.09311	9.2
181.10118	30.9
183.11678	31.5
185.09656	7.0
185.13261	13.7
187.11217	10.7
187.14738	4.5
189.12788	10.4
192.09346	9.8
193.10136	21.4
194.10895	11.4
195.08078	4.6
195.11678	34.5
197.09604	9.5
197.13286	28.0
199.11189	12.8
199.14883	8.3
206.10875	13.0
207.11688	43.1
207.13489	6.6
208.12352	7.5
209.09689	10.2
209.13235	39.0
210.13965	8.5
211.11116	9.4
211.14825	12.4
213.09120	4.6
213.12688	5.6
217.10207	4.4
217.12366	4.0
219.11703	11.0
220.12433	6.7
221.13240	52.1
222.13913	6.8
223.11185	8.8
223.14804	31.7
225.09201	4.1
225.12663	10.9
225.16431	10.7
227.10497	5.6
227.14294	5.8
233.13275	10.3
235.14778	25.5
237.12801	6.6
237.16396	17.9
239.14301	7.6
241.15849	5.6
247.11215	6.8
248.15477	6.0
249.12810	11.2
249.16412	14.3
251.14317	14.0
251.17929	5.3
255.13824	5.5
257.15570	5.6
261.16415	7.6
263.14276	13.0
263.17889	23.4
265.15839	12.1
265.19177	3.8
267.13879	16.4
269.15405	15.5
275.17877	4.7
277.15744	5.6
277.19501	8.1
279.21066	5.7
281.15479	10.7
283.16898	7.2
289.19550	6.2
291.17450	6.7
295.16916	13.8
297.18408	4.7
303.17307	5.6
305.18909	19.9
307.17026	4.2
307.20862	5.2
323.20120	30.6
324.20560	4.7
325.21609	5.0
331.20557	8.7
335.19937	4.4
341.21063	6.5
349.21606	8.5
363.23203	6.4
364.23901	5.5
374.84247	4.0
385.25336	8.2
399.26834	6.7
403.26343	66.5
404.26694	8.8
407.22162	5.5
417.27869	9.6
419.29614	9.4
427.26379	9.3
445.27512	27.5
446.27386	6.1
463.28427	100.0
464.28690	14.4
481.29419	20.4
482.29865	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2946
Annotation	Helisplendidilactone
Peak:m/z	Relative Intensity
51.41205	3.9
55.01858	3.7
55.05502	14.4
67.05514	18.4
69.07066	10.2
69.11523	30.9
69.11926	9.4
71.29359	3.9
79.05495	12.7
79.58378	3.9
81.07067	17.3
83.04991	20.2
85.06538	5.2
89.01030	4.0
91.05491	22.2
93.07038	30.8
95.04982	7.8
95.08606	55.0
97.06519	4.8
98.23382	8.5
103.09436	3.2
105.07010	33.4
107.08584	20.8
109.06549	6.6
109.10162	13.8
111.04434	7.7
111.08107	11.5
117.07016	10.2
119.08568	41.1
121.06486	8.7
121.10143	12.9
123.08083	19.5
125.06041	4.2
128.06253	5.3
129.07059	8.9
130.05208	4.0
131.08554	14.4
133.10133	22.7
135.08083	15.4
137.09616	5.2
139.07573	6.6
141.06963	8.4
141.08986	4.6
142.07773	18.8
143.08557	25.6
145.10109	31.1
147.08029	7.9
147.11662	12.5
149.09679	4.8
155.08530	21.5
156.09357	8.2
157.10114	46.8
158.10587	4.5
159.08052	7.3
159.11726	25.7
161.09653	13.7
161.13264	7.4
165.07004	7.4
167.08530	10.5
168.09378	3.8
169.10147	24.8
169.93961	3.9
170.10948	6.9
171.08089	3.9
171.11699	26.4
173.09616	9.2
173.13271	9.3
175.11130	5.5
177.09097	4.9
179.08545	12.7
179.10713	8.7
180.09302	7.1
181.10104	19.3
182.10837	6.2
183.11650	26.6
185.09644	9.1
185.13235	11.2
187.11200	6.7
189.12750	7.9
191.08760	3.4
191.10690	4.9
192.09296	6.5
193.10083	23.0
194.10960	10.5
195.11659	24.2
196.12354	5.1
197.09592	14.0
197.13239	21.4
198.14014	4.2
199.11186	13.2
199.14830	9.3
201.12787	8.2
205.10188	7.1
206.10941	10.3
207.11696	42.4
208.12506	10.3
209.09642	7.1
209.13264	27.7
211.11174	5.0
211.14792	11.6
211.61824	3.9
213.12743	5.6
215.10873	4.2
217.12276	4.6
219.11641	10.7
220.12411	5.0
221.13252	32.6
223.11238	4.4
223.14891	21.1
225.12764	18.2
225.16322	7.1
227.10612	5.2
231.13855	4.7
233.13300	13.7
234.13850	4.2
235.11154	4.7
235.14833	19.4
237.12759	4.9
237.16382	10.5
239.14334	9.7
243.13892	7.6
247.14784	6.0
249.12688	7.0
249.16451	9.9
251.14336	10.2
253.12411	5.7
253.15942	7.1
255.13760	5.0
261.16519	9.1
263.14319	10.0
263.17957	14.4
264.18237	4.5
265.15857	8.0
267.13861	17.2
267.17493	3.4
269.15314	10.7
277.15866	5.4
277.19583	6.9
279.17575	5.4
281.15424	10.7
283.16959	8.5
293.15067	4.1
295.16879	5.1
297.18475	7.9
303.17435	5.6
305.18936	14.4
320.40796	4.2
321.18668	4.6
323.20044	28.3
325.21558	5.9
337.03479	4.2
341.21143	9.3
349.21567	6.8
379.22610	6.2
389.21042	5.2
399.26855	4.7
403.26294	46.9
407.22174	9.7
417.27832	13.9
419.29651	7.6
421.27646	4.9
425.23499	4.5
427.26340	11.6
437.26651	6.8
445.27554	31.8
446.27649	8.0
463.28378	100.0
464.28870	8.8
466.73624	5.2
481.29572	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.295
Annotation	Helisplendidilactone
Peak:m/z	Relative Intensity
51.78965	3.2
53.03941	4.7
55.01884	4.3
55.05508	30.8
57.07071	3.4
65.03942	3.9
67.05502	28.7
69.07072	16.1
69.26530	21.6
73.30144	2.3
73.98997	2.8
79.05492	19.0
80.00084	2.6
81.07056	35.1
83.04981	59.1
83.08618	9.2
85.06551	3.0
91.05475	33.8
93.07039	44.5
95.04961	11.7
95.08600	57.9
96.21124	2.4
97.06528	6.8
104.49434	2.6
105.07023	51.1
107.08593	41.6
109.02943	2.5
109.06512	14.0
109.10144	19.6
111.04439	27.4
111.08093	12.4
113.06009	5.4
115.05469	5.6
117.07014	14.1
119.08586	54.1
121.06515	15.0
121.10144	24.4
123.08056	21.0
123.11699	6.8
125.09614	6.4
128.06201	6.8
129.07010	15.5
130.07826	4.7
131.08577	30.6
133.06453	5.0
133.10121	37.6
135.08061	10.1
135.11697	10.4
137.05980	4.0
137.09613	11.5
139.07542	7.4
141.06978	8.0
141.09106	7.1
142.07745	13.9
143.08583	44.2
145.06465	4.3
145.10123	46.1
146.10777	3.1
147.08032	9.8
147.11652	17.6
149.09558	4.6
149.13255	3.8
153.06956	3.8
155.08566	22.0
156.09367	14.7
157.10126	67.3
158.10742	5.1
159.08073	6.5
159.11685	40.5
161.09595	18.7
161.13261	6.6
163.11201	5.5
165.06950	4.7
167.08591	10.0
168.09290	3.7
169.10110	42.3
170.10902	9.7
171.08076	6.8
171.11678	45.6
172.08801	5.6
172.12433	5.0
173.09657	11.9
173.13248	24.9
175.11247	12.6
177.12791	5.2
178.07782	2.9
179.08566	11.4
179.10681	5.9
180.09410	4.9
181.10103	21.5
182.10896	7.6
183.08069	3.4
183.11673	47.4
184.12354	5.1
185.09628	10.8
185.13225	30.8
186.13721	3.9
187.11201	9.6
187.14839	8.2
189.12775	3.9
191.10707	7.9
192.09294	4.9
193.10114	16.2
193.12074	4.1
194.10918	10.6
195.10028	4.3
195.11670	29.4
196.12389	9.7
197.09615	5.1
197.13228	30.4
198.14066	7.0
199.09622	2.7
199.11111	13.4
199.14832	22.5
201.12700	13.2
201.16396	4.6
205.10252	4.7
205.12201	2.9
206.10905	9.4
207.11699	28.0
207.13628	4.7
208.12456	8.3
209.09717	3.1
209.13220	30.0
210.13968	4.3
211.11282	5.2
211.14810	22.1
213.09193	2.5
213.12761	10.1
213.16380	6.0
215.10478	3.4
215.14365	3.9
217.12123	4.4
217.15860	4.3
219.11720	7.7
219.13760	5.9
220.12503	4.1
221.09782	3.0
221.13268	19.7
222.13863	4.4
223.11249	5.8
223.14755	27.9
224.15544	4.2
225.12723	9.1
225.16353	14.1
227.10789	4.7
227.14336	15.8
227.17924	4.8
229.12218	6.4
229.15823	5.2
231.11754	4.6
231.13879	4.8
232.12360	3.4
233.13216	7.6
234.14087	6.1
235.14864	14.1
236.15610	3.0
237.12756	4.5
237.16338	14.8
239.14276	8.8
239.17932	9.5
241.12199	7.0
241.15886	8.4
243.13826	3.9
245.15399	10.4
246.13956	3.9
247.14799	12.2
248.15506	4.5
249.12657	4.1
249.16411	15.3
251.10805	3.6
251.14284	8.8
251.17928	10.9
252.18881	3.0
253.12207	3.2
253.15985	6.3
253.19397	7.3
255.17595	3.4
257.15329	4.1
259.14755	3.7
261.16440	9.1
262.17105	9.0
263.17957	12.3
265.15921	9.1
265.19833	4.2
267.13788	7.2
267.17502	5.9
267.20779	3.1
269.15332	7.3
271.16919	7.8
273.16089	3.0
275.17715	4.8
277.15857	8.6
277.19492	10.0
279.17419	8.4
279.21024	11.4
280.18063	3.4
281.15625	5.2
281.18967	14.2
283.16846	6.8
289.16144	4.2
289.19287	4.9
291.17542	8.1
293.15350	3.9
295.16913	10.2
295.20099	3.5
297.18478	13.2
297.21848	6.4
299.20187	3.4
303.17383	6.1
304.21848	4.1
305.19037	8.5
305.22452	3.4
307.17056	6.4
307.20547	5.3
309.18466	7.4
311.20123	3.3
321.18506	5.3
322.22821	5.3
323.20023	22.7
324.20773	4.2
325.21616	6.1
331.20581	3.9
337.21725	5.5
340.29422	5.6
341.21130	10.4
345.22177	3.4
349.21674	11.3
351.23264	5.0
361.21402	5.6
363.23077	6.3
364.24039	6.9
365.24326	3.5
379.26282	11.8
393.27667	3.8
403.26465	40.1
407.21964	4.7
409.25021	3.2
417.27811	12.3
419.29541	25.6
421.27393	92.6
422.27786	13.1
423.25677	5.1
427.26346	9.7
435.29074	8.2
437.30557	50.6
438.30768	5.5
445.27304	36.7
446.27908	4.9
463.28430	100.0
464.28610	9.9
481.29410	55.5
482.29611	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	5.9
53.77946	5.0
55.05502	10.4
55.57864	4.5
57.44547	4.0
59.96006	4.7
67.05505	20.5
69.07063	6.2
69.26195	25.2
79.05479	7.4
81.07059	20.8
83.04976	15.2
83.08636	4.1
85.06532	5.5
87.08461	4.2
91.05456	17.4
93.07040	29.8
95.05010	4.9
95.08603	37.3
97.06503	5.8
98.23085	18.4
105.07016	33.7
107.08605	25.1
109.06502	6.6
109.10170	9.0
109.11913	4.1
111.04427	5.6
111.08061	7.9
117.07030	7.3
119.08560	24.9
121.06509	8.5
121.10105	8.0
123.08054	15.6
128.06154	7.0
131.08554	19.6
133.10135	18.8
135.08005	11.7
135.11687	7.5
139.07516	11.1
141.09128	5.3
142.07776	9.6
143.08597	23.8
145.10104	22.9
147.08060	7.2
147.11650	9.6
155.08546	18.7
156.09352	8.0
157.10118	34.0
159.11719	20.2
161.09631	10.9
165.07040	9.9
165.09082	4.5
167.08566	13.0
169.10132	21.1
171.11710	13.2
173.09579	8.7
173.13190	8.1
179.08612	8.2
179.10820	5.6
180.09258	5.8
181.10130	17.1
183.11725	24.0
185.09552	9.1
185.13261	9.3
189.12680	4.9
191.10722	5.6
192.09325	9.0
193.10173	20.5
194.10841	12.1
195.11708	20.3
197.13245	15.0
199.11301	9.2
199.14857	5.3
206.10854	12.1
207.11713	47.6
208.12354	10.2
209.09648	4.7
209.13295	29.8
211.14786	11.6
213.12747	7.0
217.10117	5.3
217.12109	4.7
219.11703	7.4
220.12447	6.8
221.13303	24.2
223.11162	5.2
223.14835	23.1
225.12732	5.3
233.13235	8.2
235.14806	20.2
237.16469	12.7
239.14319	5.7
243.13745	7.3
247.11345	4.7
247.14651	6.5
249.12689	9.0
249.16411	8.1
253.12251	5.6
263.14087	6.1
263.17899	12.5
265.15869	5.7
267.13791	16.5
267.17545	5.4
269.15308	12.1
275.14282	6.4
279.17471	6.8
283.16885	8.1
289.72473	4.7
295.16876	5.3
297.18439	13.2
305.18948	14.0
323.20068	31.2
325.21487	10.8
341.21109	8.2
403.26419	40.1
404.26483	6.0
407.22021	8.9
417.27673	15.8
427.26205	8.6
437.26645	7.7
445.27457	35.5
446.27383	7.1
463.28470	100.0
464.28757	13.1
481.29419	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2948
Annotation	Helisplendidilactone
Peak:m/z	Relative Intensity
52.36925	2.9
53.03949	7.6
55.05513	63.7
59.04985	4.0
65.03964	4.2
67.05490	24.4
69.03449	3.8
69.07079	10.9
69.67239	19.1
77.49237	3.4
79.05501	14.2
81.07064	25.3
83.04984	80.4
83.05462	5.4
91.05500	19.1
93.07046	31.6
95.08610	60.1
96.08939	3.6
98.22784	7.7
101.23799	3.2
104.35925	3.3
105.07032	38.5
107.08578	31.5
107.24360	3.2
109.06503	8.0
109.10152	13.7
111.04438	8.4
111.08085	8.4
113.06012	4.7
115.05444	4.5
117.07067	14.2
119.08584	33.3
121.06515	9.0
121.10155	11.6
123.08079	19.9
125.09644	4.4
128.06245	7.9
129.07002	12.0
131.08582	20.7
133.06468	4.1
133.10118	20.6
135.08049	4.7
135.11711	5.1
137.05981	3.8
137.09631	4.8
139.07552	5.3
141.07021	10.3
142.07832	12.7
143.08572	27.6
144.09361	3.4
145.06557	5.8
145.10129	28.5
147.08086	6.8
147.11703	11.0
151.07553	4.2
153.07013	6.9
155.07188	4.7
155.08499	19.5
156.09361	9.7
157.06567	4.8
157.10149	37.8
159.11714	28.7
161.09662	13.3
161.13258	6.8
163.11241	6.7
165.07076	11.9
167.08601	8.4
168.09441	4.9
169.06480	4.3
169.10083	32.9
170.10927	4.7
171.08038	4.1
171.11682	29.5
173.09657	7.2
173.13278	8.5
179.08543	6.7
179.10667	4.6
180.09326	4.1
181.10149	14.9
183.11688	25.8
184.12459	4.8
185.09631	3.9
185.11758	3.4
185.13249	15.9
187.11205	5.6
187.14850	6.9
189.09116	4.2
189.12796	6.2
191.08626	4.9
193.10161	14.5
195.11714	23.6
197.09663	6.4
197.13251	24.8
198.14149	4.9
199.11113	7.2
199.14891	8.4
206.10930	4.5
207.11723	15.8
208.12527	4.6
209.09683	6.2
209.13272	27.0
211.11237	6.8
211.14873	17.4
213.12660	4.8
217.12135	4.6
219.11810	5.5
221.13319	13.9
222.13817	4.6
223.14839	15.4
224.15506	5.4
225.16385	7.2
227.07036	4.7
227.14281	6.2
229.12244	6.5
231.10144	5.2
233.13348	8.0
235.14796	8.6
237.12703	6.0
237.16380	16.4
239.14394	4.9
247.14883	7.4
249.12753	5.7
249.16553	4.9
251.14328	6.4
253.12259	4.0
253.15843	5.9
253.19403	3.5
255.13927	5.2
255.17464	6.6
263.07095	4.4
263.14374	6.1
263.18137	6.9
265.15939	9.7
265.19632	5.6
267.13843	7.1
269.15372	10.7
275.06949	4.7
277.16074	6.7
277.19589	9.7
278.09238	4.4
279.17514	4.3
281.08069	5.7
281.15665	3.7
283.16959	12.2
285.14786	5.8
287.16513	4.9
293.08292	4.0
305.19086	9.5
307.09561	3.9
311.05563	8.1
321.11151	8.7
323.09213	5.1
323.12747	4.0
323.20026	14.8
325.21381	4.0
341.21033	21.2
349.21646	4.8
353.13843	25.4
377.24722	7.1
381.13254	36.1
382.13828	4.2
389.24768	4.4
399.14526	7.1
403.26364	8.6
405.24060	19.0
417.27863	25.6
423.25253	30.9
435.28967	35.6
445.27405	32.0
463.22534	5.1
463.28436	52.0
464.28943	6.7
481.29489	100.0
482.29654	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	8.1
55.05510	17.2
65.03951	4.1
67.05512	35.5
69.07076	11.0
69.22364	9.7
69.22768	21.9
79.05504	27.6
81.07063	47.7
83.04987	20.7
85.24774	4.7
85.61479	4.5
91.05479	37.7
93.07040	54.6
95.04982	16.5
95.08605	100.0
98.23312	9.9
105.07035	49.7
107.08601	34.5
109.06517	84.9
109.10174	27.7
111.04456	14.4
111.08071	7.8
117.07038	14.0
119.08578	40.2
121.06522	7.9
121.10130	27.7
123.08082	5.2
125.45423	4.6
128.06245	14.3
129.07019	16.3
131.08575	36.8
133.06528	9.8
133.10129	34.5
135.08064	18.8
135.11697	9.7
137.05963	34.5
139.07587	6.2
141.06979	6.2
141.22264	4.5
142.07802	16.0
143.08586	40.4
145.06497	9.5
145.10117	37.5
147.08081	12.1
147.11720	16.8
149.13345	5.3
155.07054	31.7
155.08429	9.8
156.09360	6.0
157.06531	7.2
157.10121	38.9
158.07263	5.8
159.08069	11.9
159.11729	27.3
161.09668	14.3
161.13278	11.9
163.07574	4.8
167.08588	8.2
169.10141	18.8
170.10893	7.8
171.08080	21.0
171.11688	40.9
172.08867	6.8
173.09703	12.6
173.13290	20.2
175.07594	7.7
175.11240	9.9
176.88603	4.6
179.08527	4.5
181.10143	12.9
183.08102	6.6
183.11728	16.0
185.09642	16.6
185.13258	33.4
187.11235	11.4
187.14867	8.2
189.09160	5.6
189.12753	11.7
195.11761	16.4
197.13268	12.3
198.10440	6.9
199.11200	17.8
199.14867	15.9
200.35081	4.9
201.12735	12.8
203.10661	8.1
207.11696	6.4
209.13281	13.8
211.11192	6.2
211.14867	8.6
213.12804	38.9
213.16553	4.6
215.14317	9.3
217.12280	10.2
219.13826	8.3
223.14883	10.9
225.12871	10.6
225.16449	4.9
227.14360	22.1
229.12238	6.6
229.15878	5.3
231.13721	29.2
235.14879	6.5
237.16426	5.5
239.14325	7.1
243.13806	9.5
245.15506	14.2
261.16412	5.3
265.15845	7.8
279.21249	10.6
283.17050	4.7
289.19968	5.5
291.20911	5.9
299.73785	4.7
307.20569	11.1
309.22119	10.7
323.20404	4.7
325.21646	18.3
327.23270	18.5
343.64743	4.6
345.26572	4.4
409.25711	5.9
417.27737	14.6
427.26239	17.2
435.64539	5.4
445.27502	38.0
463.28522	35.0
481.29590	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.4
55.05500	10.7
57.19834	4.9
65.03942	4.6
67.05510	30.5
69.07065	10.6
69.54020	12.4
69.54422	12.6
71.04976	4.7
79.05493	18.3
81.07059	23.7
83.04981	15.5
83.08625	5.6
85.06561	7.9
89.05287	3.9
89.83519	3.9
91.05484	17.2
93.07049	30.7
95.04971	5.1
95.08608	58.0
99.04484	8.6
105.07014	29.8
107.08598	30.3
109.06522	13.6
109.10180	17.9
111.04449	8.6
111.08080	11.0
117.07014	9.9
119.08577	38.7
121.06509	10.0
121.10123	17.7
123.08045	21.7
128.06213	7.1
129.07018	10.6
131.08589	13.4
133.10135	20.2
135.08046	7.8
137.09595	5.9
139.07581	5.7
141.06987	5.8
142.07793	12.8
143.08521	27.6
145.06442	5.3
145.10132	30.1
147.08054	6.6
147.11664	6.6
149.09599	7.2
155.08549	24.1
156.09277	7.2
157.10126	48.8
159.08011	5.5
159.11678	26.8
161.09639	12.0
161.13271	8.2
163.11208	6.7
165.07030	8.8
167.08582	12.9
168.09436	6.1
169.10095	33.5
170.10788	5.5
171.08159	6.3
171.11673	27.3
173.09650	9.2
173.13333	14.3
179.08539	16.0
179.10712	5.1
180.09349	7.7
181.10107	27.9
183.11639	21.7
185.09659	8.6
185.13275	14.4
187.11180	11.5
189.12802	10.7
192.09306	9.7
193.10127	16.4
194.10916	10.1
195.11711	24.5
196.08578	4.4
196.12422	5.7
197.09680	6.1
197.13289	20.9
199.11203	12.1
205.10120	6.9
206.10956	8.1
207.11723	35.3
208.12418	5.3
209.13289	34.7
210.13800	4.7
211.11270	8.2
211.14885	12.4
213.12801	7.0
219.11745	6.9
220.12418	7.1
221.13271	35.3
223.11311	4.6
223.14780	25.4
225.12733	16.5
225.16417	7.5
227.14229	6.0
235.14821	18.6
237.12787	8.6
237.16408	9.5
239.14423	13.6
239.17912	6.3
243.13927	6.0
247.14908	9.7
249.12790	8.2
249.16365	12.4
251.14307	11.3
253.12381	5.0
256.12369	4.6
257.15518	4.7
263.14395	11.9
263.17981	23.9
265.15836	10.4
267.13785	14.8
267.17453	5.2
269.15344	12.2
277.15860	7.0
277.19513	5.7
279.21503	4.7
281.15399	11.2
283.16888	9.5
290.91162	4.7
295.17172	7.0
299.20169	4.9
304.22070	5.3
305.19019	12.4
323.20038	27.2
324.20453	5.4
331.20703	5.3
341.21115	7.2
347.19760	5.5
349.21729	9.7
399.26682	5.8
401.60968	4.5
403.26456	41.4
417.27734	10.9
419.25522	6.4
421.27969	6.3
427.26401	11.5
435.28943	8.1
445.27399	39.2
463.28424	100.0
464.28625	13.3
481.29401	51.3
482.29849	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2949
Annotation	Helisplendidilactone
Peak:m/z	Relative Intensity
55.05512	13.4
57.67655	2.5
67.05504	17.7
69.03419	6.6
69.07053	8.0
69.21806	17.8
79.05480	11.1
81.07064	16.9
83.04967	18.4
85.06551	4.2
91.05470	17.0
93.07046	27.8
95.04964	7.4
95.08604	49.8
97.02892	2.3
97.06483	3.7
98.23282	6.0
105.07030	29.0
106.15627	2.6
107.08588	21.0
109.06533	7.3
109.10133	10.4
111.04431	9.1
111.08077	9.2
117.07027	8.1
119.08588	27.8
121.06523	7.5
121.10128	11.6
123.08073	15.2
123.12583	3.0
125.09591	3.2
128.06290	6.4
129.07002	5.8
131.08557	18.9
133.10118	17.6
135.08035	10.9
135.11671	4.6
138.09891	2.5
139.07542	10.6
141.06966	6.1
141.09108	2.9
142.07764	9.7
143.08583	23.4
145.10097	19.0
147.08049	7.4
147.11661	8.8
149.09596	3.3
155.08572	20.9
156.09276	5.6
157.10139	34.0
159.08038	7.7
159.11635	18.7
161.09583	9.8
165.06998	4.8
165.09172	3.3
167.08585	8.5
168.09332	4.0
169.10127	17.4
170.10703	3.8
171.07961	2.7
171.11717	22.1
173.09636	7.7
173.13284	4.2
175.11127	8.0
179.08557	9.8
179.10657	4.8
180.09297	3.9
181.10088	20.4
182.10881	5.6
183.08061	3.0
183.11710	24.9
185.09677	6.6
185.13235	10.1
187.11176	10.0
189.12718	4.8
191.10512	4.3
192.09322	5.9
193.10117	18.9
194.10843	6.3
195.11668	28.3
197.09592	3.2
197.13272	20.8
199.11188	7.6
199.14857	8.4
203.10677	3.5
205.10132	6.2
206.10936	4.1
207.11707	36.0
208.12437	9.2
209.09811	4.0
209.13268	32.7
210.13890	3.8
211.11211	6.3
211.14804	10.7
213.12668	4.8
215.10596	3.5
219.11633	7.5
220.12381	5.1
221.13214	25.7
222.13959	4.9
223.11064	3.5
223.14810	18.3
224.15633	3.4
225.12740	10.1
225.16476	6.4
227.10745	3.6
227.14267	3.8
233.13319	8.5
235.11270	3.8
235.14771	14.8
237.12743	4.9
237.16336	7.1
239.14137	6.4
241.12267	4.1
243.13763	4.1
245.13257	3.3
246.13803	3.5
247.14859	6.5
248.15514	3.0
249.12706	5.4
249.16444	5.7
251.14395	8.3
253.12292	5.4
257.15378	4.7
261.16327	7.9
263.14264	7.6
263.17950	15.5
265.15826	5.3
265.19525	3.3
267.13736	21.5
269.15408	15.7
277.15881	7.6
277.19397	5.7
281.15475	5.4
283.17010	6.4
285.18777	4.5
291.17313	3.0
293.15308	5.1
295.16809	7.5
297.18491	9.7
299.20175	2.9
305.18915	10.3
309.18076	3.6
321.18433	3.6
323.19983	24.8
325.21664	6.4
341.21170	4.3
349.21548	3.8
358.37201	3.1
364.23865	5.2
399.27112	3.0
401.24573	4.9
403.26352	40.6
404.26669	6.1
405.57861	2.9
407.21912	3.2
417.27682	10.8
419.29514	8.2
421.27625	4.2
427.26114	6.8
435.28784	3.5
437.26804	5.3
445.27560	29.7
446.27567	3.4
463.28412	100.0
464.28677	11.7
481.23352	4.9
481.29504	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2948
Annotation	Rhabdastrellin A
Peak:m/z	Relative Intensity
53.03934	2.3
55.05509	15.2
61.03431	2.0
65.03959	2.2
67.05519	11.7
69.03439	6.2
69.05079	15.4
69.05481	2.8
69.07069	7.7
78.93870	1.7
79.05515	8.5
81.07063	8.5
83.04974	13.3
83.08612	3.0
85.02916	3.7
89.88787	2.1
91.05481	22.3
92.14169	1.6
93.07037	17.9
95.04974	3.4
95.08603	15.6
97.06544	3.8
105.07024	24.2
107.08591	18.5
109.06532	4.5
109.10163	4.5
111.08051	2.8
117.07011	7.0
118.29154	1.7
119.08591	19.7
119.70815	1.6
121.06514	16.2
121.10123	8.4
123.08076	12.3
128.06184	3.2
129.07022	3.8
131.08543	18.5
133.06493	3.7
133.10114	21.8
134.55971	2.1
135.08038	20.7
135.11710	3.3
137.09593	4.1
141.06999	5.5
142.07803	4.4
143.08530	11.2
143.63045	1.8
144.09358	2.2
145.06508	4.5
145.10110	13.5
146.07211	5.3
147.08081	5.1
147.11708	5.3
149.09607	15.5
155.08545	6.4
156.09332	5.3
157.10153	16.4
159.08076	7.9
159.11697	10.5
160.08664	1.9
161.09633	22.8
161.13191	2.0
163.07578	11.3
163.11211	5.3
165.06935	2.4
165.28624	1.7
167.08559	3.2
168.09404	2.4
169.10100	16.0
170.10840	1.7
171.11682	13.7
173.09570	10.9
173.13293	4.9
175.07578	3.4
175.11205	5.9
177.09061	8.9
179.08484	2.3
180.09357	2.4
181.10144	5.4
182.10918	3.2
183.11674	17.7
185.09639	6.8
185.13260	6.4
186.10359	2.6
187.11189	6.8
187.14812	2.3
189.09146	12.5
193.10120	7.4
194.10892	2.4
195.11635	9.4
197.09647	3.0
197.13281	8.3
199.11201	10.5
199.14792	4.4
200.12103	2.0
201.12753	3.7
205.10149	2.3
205.12245	2.0
206.10982	3.9
207.11604	10.1
208.12128	2.1
209.09642	3.4
209.13211	9.9
211.11165	9.9
211.14803	6.1
213.09070	2.1
213.12750	3.7
215.14334	5.4
219.11757	3.2
220.12570	2.1
221.09813	2.0
221.13184	8.7
222.13799	4.9
223.11162	3.8
223.14867	3.4
225.12776	14.0
225.16249	4.0
227.14351	4.6
229.15761	2.3
233.13329	3.0
234.14046	4.1
235.14821	5.0
237.12698	3.1
237.16405	2.9
239.14409	8.8
239.18002	3.4
243.13867	9.8
247.17130	2.0
249.12773	4.3
250.13443	2.6
251.14389	4.3
251.17921	3.2
253.15894	6.0
253.19710	2.9
255.13658	2.5
257.13123	2.2
258.14252	2.3
259.14816	2.7
262.13364	2.7
263.14261	4.4
263.17923	5.1
265.15854	5.9
267.14005	3.2
267.17395	5.8
269.15567	2.1
275.14392	2.0
277.15839	5.9
279.17355	4.5
281.15619	4.0
281.19049	6.6
289.15906	5.0
289.19351	2.0
291.17426	3.1
293.15320	3.8
295.16934	2.0
297.18497	1.9
303.17368	4.3
305.15424	2.2
307.16870	3.0
307.20306	3.1
309.18582	2.6
313.18051	2.2
313.21597	1.9
321.21988	2.5
323.19803	2.1
324.20706	2.9
325.21600	2.4
329.19064	3.8
333.22009	2.9
342.22122	3.0
349.21796	3.1
351.23157	6.0
357.22134	2.9
361.21600	4.5
369.24127	2.8
371.20013	2.6
389.21027	3.8
399.26819	3.6
403.26630	3.0
409.25287	2.2
417.28009	19.4
418.28119	2.2
427.26410	27.7
428.26413	3.4
435.29041	10.6
445.27408	91.2
446.27771	12.2
463.28494	100.0
464.28903	11.7
481.29846	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.4
55.01880	3.8
55.05510	16.1
57.03422	2.0
57.07059	2.8
60.16006	1.9
65.03925	2.9
65.56525	2.0
67.05502	28.6
69.03439	9.4
69.07075	14.0
71.04993	4.9
79.05487	22.2
81.03429	4.4
81.07060	47.1
83.04977	19.5
83.08631	9.2
85.02913	2.9
85.06561	4.0
91.05482	28.9
93.07050	36.8
94.07394	2.4
95.04988	10.1
95.08607	37.9
96.64404	1.8
97.02940	3.4
97.06552	6.7
98.22548	3.8
99.04501	5.9
104.65108	2.1
105.07030	40.0
107.08597	34.0
107.09284	2.8
109.02885	8.2
109.06516	63.5
109.07248	3.7
109.10146	22.9
111.04442	14.1
111.08116	6.8
113.06056	3.3
117.07022	14.9
119.08575	34.8
120.08980	2.5
121.06538	8.3
121.10130	23.3
123.04395	2.7
123.08112	8.1
123.11699	4.3
127.07568	6.0
128.06241	4.9
129.06996	10.2
131.08568	28.8
133.06526	5.7
133.10135	22.8
135.08087	6.5
135.11697	9.9
137.05975	14.3
137.09659	4.2
139.07622	6.3
141.07053	6.7
142.07814	8.8
143.08562	30.1
144.09326	2.8
145.06482	2.7
145.10124	28.4
147.08101	9.0
147.11710	15.5
149.09668	4.9
149.13289	4.2
151.07501	3.4
151.11252	3.5
153.05527	2.1
155.07094	25.1
155.08597	15.1
156.09370	8.6
157.10146	38.8
158.10867	4.5
159.08043	5.8
159.11674	27.4
161.09628	13.1
161.13258	5.0
163.07579	3.2
163.11255	6.1
165.07028	5.4
167.08638	6.9
167.10658	2.3
168.09406	7.3
169.10132	26.9
169.11314	2.7
170.10788	3.5
171.08167	3.2
171.11696	30.4
172.08961	2.4
172.12378	2.7
173.09605	10.7
173.13284	11.2
175.07587	2.9
175.11253	9.2
175.14880	2.1
177.09227	5.2
179.08656	8.6
179.10732	9.4
180.09402	5.1
181.10109	20.8
181.12349	4.1
182.10945	6.9
183.08090	3.4
183.11678	28.8
184.12376	3.5
185.09689	10.4
185.13268	18.4
187.11284	7.6
187.14877	2.9
189.09123	2.9
189.12836	3.9
191.10727	3.4
192.09439	2.6
193.10199	11.8
193.12306	4.0
194.10928	6.1
195.11688	24.2
196.12468	4.9
197.09660	4.2
197.13251	22.2
198.13797	3.5
199.11241	6.1
199.14906	9.2
201.12798	7.5
203.10745	4.6
205.10223	4.7
205.12248	5.9
206.11043	4.7
207.11688	18.4
208.12386	5.2
209.09824	2.7
209.13286	25.3
210.10416	2.5
210.14005	3.8
211.11241	8.9
211.14812	12.9
212.15442	2.1
213.12799	7.5
215.10759	3.2
215.14453	5.1
217.10283	3.6
217.12317	5.5
218.10815	2.7
219.11783	6.5
219.13939	13.2
220.12383	3.4
221.13257	18.6
221.15013	2.1
222.14061	3.8
223.11285	7.0
223.14848	16.8
224.15445	3.4
225.12845	8.2
225.16455	6.3
227.10739	4.9
227.14383	8.6
227.18013	2.7
229.10292	3.2
229.12155	9.9
231.13817	4.8
232.12576	3.4
233.13385	6.4
233.15416	2.7
235.14810	11.8
236.15564	2.4
237.12839	7.7
237.16411	11.6
239.10930	2.3
239.14365	5.3
239.17842	2.8
241.12378	5.8
243.13899	6.3
245.13235	3.5
245.15305	14.0
246.13948	2.3
247.11230	3.2
247.14874	8.6
249.12825	4.7
249.16350	10.2
251.14389	8.5
251.18121	5.0
253.15892	3.4
255.13895	8.5
257.15475	6.3
259.14816	4.5
261.16467	3.2
263.14349	6.8
263.18021	9.1
265.15942	7.4
265.19662	4.7
267.14044	4.3
267.17538	3.7
269.15356	13.0
271.17041	7.8
273.18759	3.6
275.14438	4.7
275.18143	3.7
277.15912	4.5
279.17560	5.8
281.15466	5.8
281.19043	2.5
281.39816	2.3
283.17093	8.6
284.17755	3.0
285.18753	3.5
289.16217	3.1
289.19412	4.5
291.17679	3.6
293.15521	3.6
293.19308	3.1
295.17032	7.0
297.18652	11.8
299.20154	4.6
303.17419	2.9
305.19022	5.2
307.17230	4.2
307.20758	8.7
309.18604	5.2
309.22031	3.5
315.17447	2.4
321.18597	4.3
323.20032	12.0
325.21674	18.1
326.22202	2.9
327.23196	20.0
331.20557	2.7
335.19977	2.5
337.21710	4.1
349.21851	3.0
351.23410	2.8
363.23395	2.2
364.23947	3.5
365.25131	4.9
366.25473	3.4
371.19974	4.4
375.19510	2.6
378.30841	2.6
385.21533	4.0
389.21011	3.9
393.20633	2.4
403.22449	4.3
407.22430	2.5
417.28055	4.6
421.23404	4.3
425.23349	2.7
427.26459	11.3
435.29507	3.2
445.27664	19.3
463.28632	49.7
464.28928	6.2
481.29611	100.0
482.29962	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.01866	5.1
55.05511	14.4
57.07086	3.0
59.04969	2.4
65.03939	3.9
67.05507	26.4
69.03426	8.8
69.07069	14.3
69.07377	2.2
69.17880	20.6
71.36256	2.2
79.05491	22.7
81.03423	5.6
81.07063	25.7
83.04980	25.7
83.08610	4.1
85.02218	2.2
85.02873	4.0
85.06541	5.4
90.39951	2.4
91.05482	35.1
93.07044	44.0
95.04964	8.2
95.08604	45.0
97.06544	12.4
97.30395	2.5
98.22631	5.5
99.04453	3.9
105.07020	45.8
107.08594	30.9
109.06499	13.6
109.10162	17.1
111.04424	8.7
111.08074	13.1
113.05968	2.9
115.05412	5.8
116.06248	3.1
117.06995	16.5
119.04956	3.3
119.08577	52.2
121.06504	13.8
121.10132	19.9
123.08082	12.8
123.11713	3.2
125.06028	3.5
128.06247	7.0
129.06985	14.9
130.07845	3.4
131.08563	25.8
133.06505	6.9
133.10124	32.0
135.08051	15.9
135.11696	9.0
137.05994	9.1
137.09691	2.9
139.07542	9.2
141.07005	9.5
142.07793	10.1
143.08556	37.7
143.65056	2.2
144.09222	4.0
145.06462	4.6
145.10117	36.1
147.08070	12.2
147.11703	15.1
149.09641	8.4
153.06987	5.4
155.08540	28.6
156.09305	10.0
157.10109	42.2
158.10777	2.9
159.08018	14.2
159.11710	26.6
161.09602	14.8
161.13261	5.9
163.07523	5.1
163.11203	6.4
165.07018	7.2
165.09134	3.0
166.07800	4.3
167.08562	9.9
168.09357	5.4
169.10112	30.4
170.10840	4.8
171.08032	7.1
171.11679	28.7
172.12558	3.0
173.09642	16.3
173.13292	11.2
175.11198	9.5
177.09128	7.7
179.08525	7.3
179.10686	4.2
180.09329	5.4
181.10074	16.0
182.10918	7.5
183.11673	33.4
184.12363	4.0
185.09654	6.9
185.13239	17.8
186.13745	3.4
187.11142	20.7
187.14693	3.7
189.09138	4.7
189.12807	6.8
191.10698	6.9
192.09279	3.4
193.10173	11.3
194.10912	8.1
195.10114	3.8
195.11688	24.9
196.12376	6.6
197.09579	7.5
197.13271	19.5
198.13902	3.6
199.11169	9.5
199.14832	7.3
201.09134	5.7
201.12733	10.3
203.10687	5.2
205.10229	2.8
205.12100	3.1
206.10838	3.5
207.10109	4.6
207.11710	17.0
208.12428	7.0
209.09792	4.2
209.13266	27.2
210.10457	3.1
211.11212	10.4
211.14703	14.6
212.11917	2.5
213.12796	7.3
213.16304	2.5
215.10716	8.0
215.14278	4.8
217.12181	3.2
219.11748	5.4
219.13696	3.7
220.12425	3.7
221.09781	2.8
221.13316	16.9
222.13763	3.1
223.11153	7.8
223.14728	20.1
224.15730	2.8
225.12781	12.5
225.16393	9.1
227.10651	5.7
227.14304	9.5
229.12270	5.4
231.11559	3.6
231.13748	4.3
233.13290	10.8
234.14006	4.5
235.11230	4.0
235.14816	8.1
237.12723	7.3
237.16399	10.7
239.14331	8.1
239.17982	3.4
241.12346	4.4
241.15863	2.9
243.13820	7.3
245.13422	4.4
245.15445	9.2
247.14946	5.6
249.12764	6.7
249.16582	5.7
250.13387	3.8
251.14308	7.8
251.17952	3.4
253.12134	4.7
253.16075	7.1
255.13702	3.2
257.15338	3.8
261.12650	3.0
261.16470	5.2
263.14246	6.9
263.18097	4.1
265.15939	11.5
265.19437	3.2
267.13785	7.2
267.17365	5.0
269.15402	10.1
271.17047	5.8
273.16077	2.8
275.17935	2.8
277.15924	5.1
277.19321	2.8
279.17392	6.7
281.15497	5.5
283.16995	5.1
285.18451	7.3
287.18008	3.2
289.15933	4.2
289.19226	3.0
291.17471	3.8
291.21005	4.0
293.15726	3.2
293.19113	3.3
295.16922	6.6
297.18515	9.0
303.17395	3.9
303.21103	3.0
305.15332	6.2
305.19000	6.7
307.20490	5.8
309.18518	5.2
311.20273	3.0
317.18988	3.2
321.18503	3.9
323.19968	11.6
325.21588	15.3
327.19601	8.6
327.23145	2.8
335.19818	2.7
341.21027	3.2
347.20361	3.5
349.21506	4.8
361.21701	4.0
363.23221	5.5
364.24014	4.3
375.23010	3.5
399.26935	3.9
403.26343	8.6
417.27856	10.7
421.23083	3.8
421.27863	3.5
425.23242	3.5
427.26300	9.4
435.24344	4.9
435.29138	8.1
445.22604	7.4
445.28281	19.0
463.23486	8.0
463.29343	39.0
464.28546	3.2
465.30020	3.1
481.30005	100.0
482.30307	12.8
482.35855	3.0
508.95129	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2952
Annotation	Helisplendidilactone
Peak:m/z	Relative Intensity
53.03951	7.9
55.05517	31.4
56.24703	4.3
60.81590	4.6
67.05508	38.3
69.03421	12.6
69.07058	18.7
69.11330	43.8
71.04982	5.7
79.05495	30.3
81.03410	6.9
81.07055	33.6
83.04980	40.5
85.02911	8.4
85.06547	5.9
91.05486	41.7
92.05840	6.6
93.07033	58.9
95.04962	13.2
95.08607	90.5
99.04498	6.0
100.17396	4.7
104.06062	4.9
105.07042	53.1
107.08590	48.7
109.06507	16.1
109.10151	23.9
111.04459	19.3
111.08105	20.6
115.05449	8.4
117.07018	17.2
119.04868	5.6
119.08584	50.4
121.06501	16.9
121.10149	20.7
123.08080	27.2
123.11642	5.6
128.06223	8.8
129.07042	9.9
131.08562	41.4
133.10126	33.7
135.08060	15.4
135.11694	4.8
137.05939	6.3
139.07588	10.1
141.06999	13.4
142.07790	17.5
143.08545	38.9
145.06465	10.1
145.10135	39.9
147.08034	16.2
147.11740	9.3
149.09648	10.7
155.08514	32.8
156.09320	15.6
157.10139	53.1
159.08064	9.8
159.11722	32.1
161.09634	17.5
161.13214	10.4
165.07124	9.1
167.08589	11.6
169.10104	38.5
170.10713	5.6
171.11668	29.6
173.09618	16.8
173.13261	9.7
175.11218	12.1
179.08501	13.8
180.09245	6.4
181.08757	5.1
181.10100	27.4
182.10854	8.7
183.11694	41.4
184.12589	6.6
185.09634	16.9
185.13280	16.5
187.11224	12.0
187.14859	7.1
189.12691	10.9
192.09334	8.1
193.10146	20.0
194.10927	7.0
195.11693	31.3
196.12399	7.7
197.09663	15.5
197.13263	29.3
198.13847	5.0
199.11185	20.3
199.14859	14.3
201.09137	5.7
201.12793	9.3
203.10677	10.1
205.10211	10.6
206.10991	7.8
207.11748	24.1
208.12343	12.4
209.09691	6.3
209.13281	34.1
210.13821	7.3
211.07640	5.3
211.11205	17.2
211.14786	21.6
212.11847	5.4
213.12761	12.2
215.10754	7.6
215.14458	7.6
217.12177	8.1
218.11037	5.0
219.11742	8.0
220.12436	14.1
221.13335	25.7
223.02359	5.4
223.11214	14.2
223.14873	25.8
225.09180	10.9
225.12735	19.9
225.16272	5.9
227.10612	8.8
227.14342	8.6
231.11673	6.2
233.09641	5.2
233.13239	8.5
235.14845	18.5
237.12814	11.2
237.16397	18.3
239.14362	21.2
241.12271	7.2
245.13058	6.1
247.14691	5.3
249.12729	10.2
249.16438	6.5
251.10709	6.2
251.14374	15.6
253.12161	5.0
253.15854	13.2
263.14252	9.8
263.17883	10.9
265.15872	13.0
267.13791	18.3
267.17181	4.8
269.15582	9.2
277.16083	7.6
277.19510	13.3
279.17471	7.1
281.15381	10.5
283.16977	9.1
293.15405	6.6
295.17133	9.8
295.20541	11.9
297.18661	6.9
297.21979	5.5
301.16077	5.9
305.18970	15.2
307.16925	11.0
323.20084	41.6
331.20547	6.5
341.21069	25.4
367.21933	4.8
379.22623	7.7
401.24716	7.6
403.26154	29.3
407.22089	11.8
417.27747	14.1
423.25278	7.4
427.26886	8.9
435.29053	10.5
437.26697	8.4
445.28320	31.6
463.28543	100.0
464.28992	11.6
481.14996	12.6
481.29971	95.8
482.29901	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2952
Annotation	Helisplendidilactone
Peak:m/z	Relative Intensity
51.89544	2.4
53.03949	3.0
55.01878	3.1
55.05514	18.9
57.03436	2.4
57.07076	2.6
65.03949	3.2
67.05505	22.6
69.03429	4.3
69.07069	7.6
69.37286	11.2
69.37703	2.8
71.04996	3.4
76.03690	2.1
79.05493	14.9
81.07045	19.3
83.04982	24.3
85.06544	4.3
91.05473	20.3
93.07048	31.6
95.04956	6.8
95.08606	55.3
97.02898	1.9
97.06502	4.5
99.04461	3.7
105.07015	33.9
106.07338	2.3
107.08581	28.7
107.09195	3.0
109.06513	7.1
109.10165	11.3
111.04436	11.1
111.08098	9.2
117.07029	8.0
119.08578	33.1
120.08941	2.5
121.06513	6.4
121.10165	12.6
123.08083	16.5
123.11703	2.1
125.09668	2.7
128.06241	5.3
129.06982	11.4
130.07817	2.5
131.08568	19.7
133.06494	3.2
133.10117	23.7
135.08073	21.5
135.11739	4.2
137.06027	3.1
137.09653	4.3
137.38136	2.3
139.07553	8.1
141.06970	7.7
141.09109	6.6
142.07791	14.3
143.08565	25.9
144.09296	3.5
145.06494	4.6
145.10112	26.6
147.08060	7.7
147.11658	11.0
149.09677	4.2
149.13185	2.7
153.07004	4.0
155.08522	21.1
156.09297	7.4
157.06563	2.6
157.10121	39.3
159.08105	10.4
159.11685	23.7
161.09592	9.7
161.13313	7.0
163.11208	5.1
165.07002	5.8
166.07707	2.3
167.07310	2.4
167.08585	9.5
168.09346	3.2
169.10129	24.5
170.10901	5.5
171.07965	6.1
171.11671	22.0
172.08931	2.9
172.12445	2.7
173.09608	10.5
173.13275	9.2
175.11133	7.6
177.09096	2.7
178.07729	3.0
179.08569	14.2
181.10114	18.9
182.10779	3.7
183.08057	3.0
183.11682	24.8
184.12410	2.6
185.09634	7.9
185.13292	9.7
187.11179	8.3
189.12750	6.1
191.08617	4.0
192.09340	6.7
193.10118	19.3
194.10869	10.9
195.11717	24.5
196.12404	6.7
197.09601	6.3
197.13266	19.4
199.11174	8.7
199.14815	3.2
201.12805	6.1
203.10635	3.5
205.10197	6.6
206.10921	9.4
207.11734	35.6
208.12364	11.1
209.09740	3.6
209.13261	26.2
210.13939	3.3
211.11108	5.7
211.14828	8.0
213.12744	5.5
215.10747	3.1
217.12273	4.5
218.10789	3.3
219.11714	9.3
220.12447	6.2
221.09717	2.8
221.13260	28.7
222.13933	3.3
223.11232	7.0
223.14778	18.8
224.15552	2.7
225.09265	3.5
225.12741	9.2
225.16324	4.2
227.10692	5.3
227.14307	5.8
233.13393	11.3
234.14119	3.0
235.11150	4.8
235.14870	14.7
236.15276	3.6
237.12769	9.3
237.16370	10.0
239.10657	2.7
239.14314	9.8
241.12270	5.4
241.15939	2.7
243.13844	7.5
245.13287	3.6
245.15469	2.6
246.13872	2.4
247.11180	2.7
247.14833	9.3
248.15572	4.6
249.12743	9.1
249.16318	11.0
251.14424	10.6
251.17894	6.1
253.12180	5.4
253.16025	4.3
255.13692	3.8
257.15515	5.9
261.16354	5.7
263.14377	7.8
263.17941	14.9
265.12338	2.4
265.15955	6.8
267.13821	17.8
267.16629	2.7
268.14291	2.9
269.15405	14.9
277.15967	5.0
277.19537	6.5
278.16312	2.3
279.13992	3.1
279.17462	6.0
281.15405	7.7
283.16943	9.5
287.17990	3.3
289.15738	2.7
291.17444	2.9
293.15393	2.4
293.18829	3.3
295.16925	7.5
297.18491	7.8
299.20264	4.2
303.17535	3.0
305.18936	11.6
307.17044	3.8
307.20508	4.3
309.18500	5.9
313.25281	2.6
317.18784	2.9
321.18408	4.9
323.20123	24.3
324.20541	6.0
325.21649	4.7
330.10815	2.6
331.20444	6.0
341.21210	5.7
343.12033	2.7
349.21564	3.1
361.21625	3.4
363.23193	4.1
369.17270	3.3
379.22681	3.5
399.18088	13.7
399.26688	2.9
403.26257	38.3
404.26733	4.5
407.22192	7.1
417.27875	13.5
419.29498	6.4
423.25500	3.0
427.26422	11.1
435.28818	3.2
437.26752	5.7
445.27350	34.5
446.27243	5.1
463.28406	100.0
464.28766	13.0
481.29312	39.1
482.29907	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43656	7.0
53.03947	11.2
55.05504	19.4
57.07068	14.5
67.05504	34.1
69.07071	23.2
71.08647	10.4
79.05493	28.0
81.07059	49.2
83.04972	28.4
83.08601	12.4
85.06544	11.1
89.06023	15.4
91.05474	31.9
93.07018	48.1
95.04990	13.8
95.08607	83.1
97.06530	10.0
98.22720	29.8
99.04486	11.1
105.07017	48.7
107.08591	32.4
109.06543	11.2
109.10144	31.9
111.04462	16.4
111.08067	12.9
117.07034	10.0
119.08583	43.6
121.06490	15.3
121.10155	19.4
123.08082	21.6
123.11665	9.5
129.06982	14.0
131.08554	31.6
133.08603	9.9
133.10114	36.3
135.08040	14.0
135.11754	9.3
139.07567	8.3
141.07027	13.7
142.07799	16.5
143.08563	32.1
145.10057	37.7
147.08089	9.7
147.11673	13.0
155.08536	23.1
157.10132	52.4
158.10704	7.2
159.08022	10.6
159.11710	28.1
161.09641	18.6
167.08568	7.8
169.10074	37.4
171.08037	10.1
171.11700	35.9
173.09612	18.9
173.13258	15.3
175.07504	8.3
175.11197	11.5
179.08458	9.6
179.10840	8.5
180.09256	9.9
181.10133	31.1
182.10953	7.5
183.11711	39.9
185.09526	9.6
185.13252	20.7
187.11237	11.2
187.13235	7.2
189.12746	12.4
191.10614	10.6
193.10188	21.2
194.10838	17.7
195.11676	34.4
197.13278	38.9
199.11168	16.9
203.10643	7.2
206.10840	8.7
207.11688	35.7
208.12320	9.4
208.56998	8.1
209.13185	40.0
211.11220	10.9
211.14795	13.6
212.15363	7.0
215.10532	9.0
217.12285	14.6
219.11620	11.8
221.13255	37.5
223.14754	35.9
224.15395	9.1
225.16318	16.5
227.10614	8.4
228.96497	7.6
229.12192	11.6
233.13264	11.8
235.14868	22.5
237.12654	11.2
237.16428	12.9
239.14342	14.5
247.14914	13.6
249.12744	10.6
249.16388	17.5
253.12357	8.1
253.15947	10.6
255.13716	10.7
263.14355	11.3
263.17911	22.3
265.15887	15.2
265.19424	9.5
267.13834	17.1
269.15372	15.5
279.17523	9.8
283.17026	22.5
295.17032	10.9
297.18402	25.1
305.19022	17.3
307.20480	10.1
309.18420	11.7
323.16864	8.7
323.20004	52.6
325.21655	17.7
335.55331	7.7
341.20981	21.4
365.79556	7.1
371.19846	8.6
389.21198	10.6
403.26202	29.1
417.27646	11.8
427.26218	13.6
435.28683	10.9
445.27444	44.5
463.28500	100.0
464.28723	14.6
481.29416	82.5
481.38962	17.4
482.30243	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2951
Annotation	Helisplendidilactone
Peak:m/z	Relative Intensity
53.03947	8.1
55.05502	27.9
67.05508	23.8
67.57548	3.9
69.03443	6.2
69.07077	9.1
69.28593	3.2
70.36081	14.2
79.05504	14.7
81.07058	27.0
83.04991	41.4
85.06548	4.4
91.05476	29.4
93.07047	35.4
95.04973	10.6
95.08614	44.6
97.06516	8.2
99.59810	4.4
105.07032	45.4
107.08604	31.5
109.06544	15.9
109.10153	18.3
111.04448	7.0
111.08094	12.7
117.07043	12.5
118.97060	4.0
119.08594	39.0
121.06508	13.2
121.10145	19.5
123.08067	18.6
129.07001	12.6
131.08551	29.7
133.06500	7.7
133.10147	34.9
133.88933	4.0
135.08073	17.9
135.11690	8.6
137.05995	12.4
139.07570	6.8
141.07011	5.3
142.07780	14.9
142.41742	3.5
143.08546	27.6
145.06505	5.6
145.10118	32.7
147.08026	12.9
147.11702	13.0
149.09602	11.5
154.07770	5.1
155.08583	18.4
156.09366	8.6
157.10120	44.4
159.08093	14.6
159.11687	22.0
161.09570	20.3
161.13263	6.3
163.07588	8.1
163.11252	4.9
165.07036	6.2
167.07356	4.5
167.08623	16.3
168.09360	5.8
169.10130	25.7
171.08095	9.4
171.11705	27.9
173.09677	9.5
173.13255	8.1
175.11200	12.7
177.09158	6.9
179.08635	8.9
180.09380	4.0
181.10136	13.0
182.10947	7.9
183.08102	6.3
183.11710	23.3
185.09668	11.3
185.13260	18.0
187.11168	12.5
189.09126	5.5
189.12796	11.1
192.09268	7.0
193.10190	14.3
194.10889	8.8
195.11688	26.5
196.12201	6.0
197.09615	8.7
197.13211	20.8
199.11171	14.0
201.08987	4.8
201.12636	9.4
203.10669	5.9
205.10350	4.9
206.10985	4.5
207.11739	23.2
207.13443	4.7
208.12396	8.4
209.09776	5.0
209.13309	26.4
211.11205	10.4
211.14888	13.1
213.12788	9.1
215.10655	7.1
219.11656	7.2
219.13690	4.6
220.12502	8.1
221.13335	25.6
223.11230	4.4
223.14839	17.9
225.12788	11.4
225.16254	7.6
227.10710	7.1
227.14346	9.2
231.13757	5.8
231.79279	3.8
233.13213	5.5
235.14771	12.0
237.12741	5.5
237.16472	9.4
239.14378	5.9
241.12306	7.1
243.13852	11.8
247.14792	8.6
249.12692	5.5
249.16443	8.0
251.10681	5.0
251.14297	8.1
263.17941	9.6
265.15894	10.3
267.13806	12.2
267.17270	4.9
269.15399	11.7
277.15982	4.9
277.19247	5.7
279.17538	4.9
281.18893	7.0
283.16922	7.5
295.17029	7.4
305.18918	8.1
323.19998	21.5
324.20377	5.2
325.21539	9.2
341.21078	6.9
349.21707	7.8
351.23138	4.5
399.27084	7.4
403.26367	28.3
407.21869	8.2
417.27789	14.5
419.29758	6.1
421.27353	6.1
427.26266	15.7
435.28687	11.0
445.27481	48.9
446.27621	6.1
463.28546	100.0
464.28851	12.8
481.14923	15.9
481.29700	70.0
482.15857	7.3
482.30017	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2949
Annotation	Helisplendidilactone
Peak:m/z	Relative Intensity
51.02409	0.7
53.03946	1.1
55.01864	1.8
55.05516	7.7
57.03436	2.4
57.07080	1.8
59.04990	0.8
65.03937	1.5
67.05506	11.6
67.05847	1.3
69.03412	6.9
69.03817	2.8
69.07072	6.0
71.04984	1.7
79.05484	8.6
79.05915	0.9
81.03452	1.1
81.07051	15.3
83.04977	7.0
83.08638	2.9
85.02905	4.3
85.06550	12.9
87.79149	0.7
91.05483	11.5
93.07044	15.0
95.04993	3.0
95.08607	22.0
96.08987	0.8
97.02870	1.0
97.06560	2.4
97.10177	1.1
98.22621	1.3
99.08144	0.8
103.03917	1.0
105.04528	1.1
105.07027	16.7
105.07661	1.3
107.04962	1.2
107.08588	16.9
109.06509	5.2
109.10166	6.8
111.04444	1.1
111.08076	7.1
113.06048	1.0
115.05479	1.4
117.07012	6.1
119.08585	16.9
121.06520	3.3
121.10149	8.7
123.08067	4.3
123.11680	3.4
125.06007	0.9
125.09651	3.8
127.07553	1.7
128.06252	2.1
129.06990	5.9
131.08583	8.2
133.06500	0.9
133.10135	15.1
134.10548	1.1
135.08130	1.8
135.11693	4.1
137.06020	2.1
137.09669	2.2
139.07565	2.8
141.06996	3.6
141.09157	2.1
142.07753	4.2
143.08562	9.3
144.09373	1.2
145.06505	1.7
145.10117	9.2
147.08064	2.2
147.11667	4.4
149.09641	2.1
149.13266	1.1
151.07524	1.2
151.11177	1.3
153.05464	2.0
153.07053	2.2
154.07840	2.3
155.08551	16.6
156.09395	3.9
157.08653	7.7
157.10159	13.4
158.10756	0.7
159.08081	2.1
159.11700	5.3
161.09586	3.8
161.13292	3.2
163.07462	0.8
163.11237	1.3
163.14821	1.0
165.06992	4.7
166.07764	1.5
167.07091	2.6
167.08611	6.1
168.09367	2.6
169.06624	0.9
169.10136	14.2
170.10902	2.2
170.90164	0.8
171.06499	0.7
171.08105	1.5
171.11690	8.5
173.09663	1.6
173.13322	3.0
175.07559	1.6
175.11241	2.1
175.14862	0.8
175.95010	0.8
177.12825	0.8
178.07787	2.0
179.08511	9.5
179.10674	6.5
180.09401	3.4
181.10114	14.1
181.11903	1.1
181.12399	1.1
182.10873	2.4
183.08026	1.3
183.11687	8.7
185.09679	3.2
185.13246	4.0
187.07544	0.9
187.11183	1.7
189.09196	0.8
189.12759	1.3
191.08641	3.0
191.10838	0.9
192.09274	4.8
193.10141	15.8
193.12218	1.9
194.10902	7.4
195.11682	16.4
195.13333	1.2
196.12509	3.0
197.09706	2.5
197.11725	1.4
197.13277	6.9
198.13763	1.0
198.95129	0.8
199.11221	2.8
199.14960	1.3
201.09143	1.0
203.08586	1.7
203.10609	1.9
204.09470	0.8
205.10199	5.3
205.12086	1.5
206.10915	7.4
207.11714	22.8
207.13620	1.0
208.12471	6.1
209.09631	2.7
209.11365	1.2
209.13263	16.2
210.10571	0.8
210.13950	2.3
211.11281	2.8
211.14868	4.7
211.16597	0.8
213.09183	0.9
213.12860	1.5
215.10651	1.6
217.10295	1.5
217.12372	2.9
218.10933	2.5
219.11732	7.5
219.13721	1.4
220.12459	4.3
221.09882	1.2
221.13263	23.3
222.14049	3.5
223.11252	2.1
223.14818	11.6
225.12831	2.2
225.16484	2.1
227.10631	5.2
227.14281	1.7
229.12292	0.9
231.11662	4.0
232.12489	2.6
233.13257	7.6
233.15346	1.2
234.14032	3.2
235.11227	1.7
235.14868	11.2
236.15523	1.3
237.12769	2.7
237.16394	4.1
238.13171	0.8
239.14384	2.4
241.12314	1.3
241.15941	1.2
243.11705	0.8
243.13881	1.6
244.12614	1.2
245.13271	4.3
246.14081	2.6
247.11137	1.8
247.14778	6.2
248.12085	0.7
248.15521	2.6
249.12756	3.3
249.16426	5.1
251.10660	0.8
251.14288	5.1
251.17917	1.5
253.12267	3.7
253.15858	1.2
254.12970	1.2
255.13860	3.5
257.15472	4.2
259.11423	0.7
259.14825	3.2
260.15561	1.0
261.12720	1.4
261.16364	5.0
262.13870	0.7
262.17026	1.7
263.14429	4.9
263.17938	7.2
264.18555	0.9
265.12262	1.7
265.15851	3.0
267.13779	12.0
267.16367	1.1
268.14417	1.2
269.15381	12.7
270.16098	1.0
271.17084	1.0
273.16357	1.8
275.14359	1.1
275.18002	2.9
277.12796	0.8
277.15933	2.5
277.19571	2.8
279.13916	2.1
279.17450	1.4
280.14587	0.9
281.15356	4.3
283.16953	8.7
285.18521	2.6
287.17831	1.6
289.16156	1.4
289.19470	1.7
291.17453	1.1
293.15378	1.6
295.16995	6.5
297.18585	1.4
303.17599	1.9
305.15726	1.3
305.19119	4.5
307.17023	2.8
308.17673	1.0
309.18442	2.6
319.17004	1.4
321.18570	2.1
322.19446	1.7
323.20050	18.6
323.23608	1.1
324.20648	2.2
325.21774	1.5
329.18912	0.8
329.22571	1.1
333.18506	1.1
335.20132	1.5
345.22256	1.1
347.19870	1.2
363.23050	1.6
365.24780	2.0
371.23779	1.9
379.26349	1.4
389.24881	2.6
407.25763	4.3
417.28354	1.5
419.29526	1.6
421.27594	4.3
427.26669	1.3
435.29031	3.0
437.30508	5.0
445.27747	3.0
463.28683	14.1
464.29175	1.1
481.29544	100.0
482.29865	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2952
Annotation	CHEBI:69690
Peak:m/z	Relative Intensity
55.05508	22.5
57.07072	10.6
60.65475	5.9
67.05498	30.4
69.07061	22.9
69.76690	19.4
69.77097	14.7
69.83297	7.0
71.08609	12.7
73.49599	5.9
76.65442	6.0
79.05479	17.1
81.07057	38.9
82.15617	6.7
83.04974	13.0
83.08624	15.7
89.06026	21.7
91.05499	25.9
93.07054	42.0
95.04963	10.4
95.08633	53.8
97.06538	8.7
98.22713	7.7
105.07037	45.7
107.08588	25.3
109.02866	6.9
109.06517	11.8
109.10155	26.6
111.04427	6.6
111.08094	14.7
117.07061	11.5
119.08566	38.0
121.06511	8.0
121.10138	26.8
123.08059	20.6
123.11723	9.5
129.06987	12.5
131.08571	19.3
133.08534	9.2
133.10130	31.9
135.07996	6.8
135.11658	7.1
137.05994	21.6
141.07053	9.9
142.07780	11.2
143.08575	27.5
145.10098	35.5
147.08076	7.2
147.11673	10.6
149.09639	14.0
155.08575	21.7
156.09378	12.3
157.10091	38.7
159.11696	29.6
161.09595	11.3
161.13304	12.1
167.08614	9.5
168.09425	7.0
169.10112	23.9
170.10783	8.9
171.11728	27.7
173.13254	15.0
175.11250	7.9
179.08588	8.3
180.09343	7.1
181.08676	7.6
181.10155	26.9
183.11755	35.2
185.13232	18.1
187.11224	9.2
193.10123	13.2
195.11722	17.7
197.13287	19.2
199.11212	8.9
199.14853	8.2
201.12683	11.9
201.16321	5.9
207.11751	17.7
209.13252	25.9
211.11304	10.3
211.14906	23.3
213.16222	6.9
221.13327	21.6
223.14815	20.6
224.15332	7.4
225.16394	9.4
227.10620	11.5
232.12553	7.1
233.13382	7.2
235.14899	12.4
237.03351	6.2
237.16299	11.1
241.12381	6.1
241.74112	7.4
251.18112	12.7
263.17865	13.3
265.16003	7.4
267.13910	8.2
269.15375	12.4
271.17078	12.6
277.24741	7.2
283.17227	22.6
323.20059	22.8
325.21713	11.2
341.20987	22.2
402.00031	6.8
403.26208	18.0
417.27789	17.0
423.25287	9.2
435.28989	9.4
445.27225	24.5
463.28497	50.8
481.29395	100.0
481.36588	60.0
482.29941	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	17.8
55.05514	33.7
61.97967	6.4
65.03934	7.4
67.05502	60.1
69.03416	9.2
69.07069	19.2
69.17746	46.7
71.05007	8.5
73.63277	4.9
79.05493	41.5
81.03402	9.9
81.07059	57.2
82.07383	7.5
83.04994	47.5
83.08600	10.8
83.64513	6.2
90.69303	5.8
91.05486	59.3
92.05853	6.7
93.07044	58.0
95.04976	13.0
95.08606	71.4
96.08948	9.7
99.04461	11.8
100.97459	5.7
101.30911	5.7
105.07033	76.5
106.07409	8.0
107.04974	8.7
107.08587	54.9
109.02901	8.3
109.06509	23.4
109.10158	20.5
111.04435	20.5
111.08096	22.6
117.07030	21.8
119.08591	68.0
120.08958	8.6
121.06528	27.4
121.10154	35.5
123.08070	40.0
123.11723	10.2
128.06247	11.3
129.06981	25.4
130.07787	6.4
131.08582	46.5
132.08907	7.9
133.06483	8.4
133.10126	57.6
134.90692	5.5
135.08037	19.0
135.11707	19.0
137.05995	23.4
138.06296	10.5
139.07561	14.9
141.06931	15.0
142.07780	15.1
143.08578	52.6
144.09084	10.4
145.06458	9.4
145.10115	65.1
145.31580	6.3
147.08067	17.8
147.11752	32.9
149.09616	13.6
151.07585	7.2
155.08647	33.5
156.09201	9.0
157.10138	72.4
158.10603	13.0
159.08025	36.7
159.11726	37.5
161.09628	28.1
161.13289	8.3
163.11194	12.8
167.08551	19.3
168.09230	9.5
169.10144	51.6
170.10727	9.5
171.08099	10.5
171.11671	65.5
172.12064	10.4
173.09659	26.7
173.13272	21.3
175.11169	15.0
179.08479	18.0
179.10614	10.9
180.75574	5.7
181.10045	32.1
182.10770	11.8
183.08014	12.5
183.11681	42.8
184.12227	10.1
185.09657	25.7
185.13245	28.2
187.07561	21.9
187.11253	33.5
189.12822	10.2
191.10593	10.1
192.09285	9.2
193.10123	24.9
194.10728	11.8
195.07985	7.7
195.11746	36.9
196.12155	9.9
197.09709	15.5
197.13297	34.1
199.11160	8.2
199.14838	18.4
201.12790	13.8
203.14124	6.5
205.10130	8.5
206.10936	17.0
207.11804	33.6
207.13716	6.2
208.12033	10.7
209.09668	11.6
209.13298	37.4
210.13699	8.1
211.11235	14.6
211.14772	12.9
212.11591	6.6
213.12740	14.2
217.10320	6.4
219.11705	12.4
220.12378	10.7
221.13234	28.1
222.13689	8.0
223.11203	9.0
223.14766	24.7
224.11671	8.1
225.09120	9.3
225.12657	15.6
225.16219	10.5
227.14317	15.8
229.15956	9.7
233.13380	12.0
234.13846	11.6
235.14679	14.6
237.12660	21.3
237.16341	17.2
239.14258	25.3
240.14555	7.5
243.13823	8.4
245.15469	21.8
247.14857	15.8
249.12640	9.8
249.16231	9.8
250.13115	9.7
251.10834	7.9
251.14175	10.8
251.18044	13.6
253.16074	11.1
253.19176	7.5
255.13692	8.9
255.17439	7.4
261.16287	10.2
262.13162	7.2
263.14142	15.2
264.14700	8.7
265.15836	7.3
267.13950	8.2
276.18091	7.0
277.15927	9.0
277.19061	10.5
279.17468	9.2
281.15417	9.7
281.18948	13.3
283.16815	9.7
297.18457	11.2
303.17355	13.7
305.18735	10.5
307.20328	11.3
309.18427	10.6
315.19827	7.8
319.16663	7.9
321.18497	7.4
323.20032	14.9
325.21649	12.0
327.19257	32.4
331.16910	11.8
341.21118	14.4
383.23871	6.2
385.21869	6.5
391.25977	8.4
407.21841	12.3
409.21268	10.4
417.27945	15.1
423.25055	10.9
427.21896	7.2
435.28604	12.1
445.26813	59.0
463.28510	88.4
464.28568	8.2
481.29620	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	23.3
57.07080	23.2
62.54150	10.2
67.05495	32.1
69.07066	12.7
70.65794	11.8
70.66093	14.1
71.08597	13.0
79.05486	16.2
81.07057	40.0
83.04951	14.2
83.08648	13.7
85.06509	11.5
89.06046	50.9
91.05477	19.5
93.07059	19.9
95.08623	47.5
97.10143	9.9
99.04492	10.1
105.07022	24.8
107.08601	35.0
109.10192	23.4
115.01358	9.9
115.02772	9.4
119.08598	23.2
121.10178	15.5
127.03921	21.1
131.08620	12.4
133.08626	22.0
133.10130	30.1
135.11719	11.8
143.08543	18.8
145.10139	15.1
147.11700	14.0
153.05426	17.5
157.10168	17.3
159.11707	23.7
171.11713	23.6
175.11244	13.7
181.10167	12.0
186.50502	9.5
195.11736	15.6
197.04451	13.1
197.13199	14.9
207.79454	9.4
209.13271	15.5
211.14806	14.6
214.90543	11.6
221.13147	11.1
251.14253	10.6
265.15872	10.0
269.15237	13.5
283.17410	18.0
357.20050	10.0
403.26218	13.5
417.47476	10.0
418.70572	9.9
445.26630	12.5
463.28375	48.8
481.29108	52.5
481.34787	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95895	0.3
52.75541	0.3
55.05525	0.4
57.07061	0.6
67.05536	0.4
69.07083	0.7
69.24089	2.6
79.05505	0.5
81.07045	1.1
85.10152	0.5
89.06039	5.2
93.07034	0.4
95.08617	1.0
103.13958	0.4
105.07053	0.5
107.08604	0.7
119.08595	0.8
121.10168	0.5
124.93787	1.3
133.08624	2.1
142.94858	0.7
145.10240	0.4
147.11743	0.3
157.10123	0.5
159.11710	0.4
175.10995	1.4
177.11246	1.0
177.80865	0.4
187.11301	0.3
195.12047	0.5
207.11725	0.3
217.31267	0.4
221.13248	0.4
229.12512	0.3
283.17538	2.4
302.45181	0.3
329.24515	3.1
362.53781	0.3
463.22110	0.5
481.22617	2.7
481.36566	100.0
482.36902	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.5
54.52148	1.0
55.01867	4.8
61.39182	1.0
61.99483	0.9
65.03915	0.9
68.99792	1.3
69.03423	1.3
70.29317	0.9
83.01318	1.4
85.02909	1.3
91.05505	1.7
93.77087	1.0
95.04974	2.7
105.03422	2.3
105.07027	5.0
107.04947	1.2
109.02889	2.8
119.04938	2.8
121.02828	1.5
123.04429	100.0
124.04794	2.3
125.02313	0.9
131.04921	1.3
133.02934	1.4
135.04439	2.6
137.02342	4.3
137.05992	1.3
139.03903	9.5
141.01840	1.5
147.04401	7.9
149.02371	6.8
149.05910	1.4
151.03893	8.2
152.83037	1.0
153.01820	1.4
163.03906	7.7
165.01836	38.9
165.05499	5.4
173.06053	0.9
175.03908	1.2
177.01826	10.8
177.05472	7.1
179.03413	10.6
183.02899	24.6
187.04051	1.7
191.03423	9.6
195.02931	1.1
203.03413	3.1
205.01324	10.2
205.04932	9.1
207.02844	7.5
215.03416	1.7
217.05014	1.2
219.02905	2.2
221.04436	6.9
223.02390	15.8
233.04428	16.9
235.02368	2.7
237.03905	2.9
249.03928	9.3
251.05588	1.1
261.03946	12.1
267.04956	9.4
273.07803	1.2
277.03448	9.1
279.04947	3.5
291.08582	1.3
295.04492	14.3
297.06070	19.5
313.05524	78.9
314.05740	2.9
325.05521	5.7
332.80917	1.0
346.55191	1.0
354.61658	1.1
359.07718	2.1
397.61859	0.9
399.83768	1.0
401.08820	1.4
411.07047	2.0
419.09805	2.4
429.08093	7.6
447.09186	13.9
465.10159	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79394	1.2
53.03954	2.9
55.01874	2.0
69.03441	2.3
69.68864	3.4
69.69285	3.3
79.05496	6.7
81.07076	1.7
83.76556	1.2
85.02911	2.8
89.88341	1.2
91.05483	29.4
93.07036	3.2
94.04180	2.3
95.04958	3.7
97.02901	1.2
103.05463	19.7
105.07040	12.9
107.04958	36.1
107.08596	3.3
109.06531	1.6
115.05456	7.0
117.07045	2.8
119.04949	25.2
121.06512	7.1
122.03647	8.2
129.06982	7.1
130.04112	3.1
131.04926	17.8
131.08582	3.5
133.06525	8.0
135.08063	10.4
135.11684	3.9
137.05975	100.0
138.06332	2.5
145.06458	2.0
146.07303	3.3
147.04390	21.1
148.05164	3.8
149.05969	7.5
150.06732	2.4
151.07542	44.7
151.08762	2.2
157.06488	4.5
161.00543	1.4
161.05981	96.6
161.09613	19.1
162.06723	8.0
163.07533	53.5
164.07895	1.6
165.07051	1.9
165.09100	1.6
165.61681	1.2
167.08548	3.7
174.06754	3.8
175.07600	12.1
177.09131	1.9
178.00865	2.3
179.07025	6.9
179.08432	1.9
181.08603	17.2
187.07536	1.5
189.09105	57.8
190.09415	2.2
191.07053	2.1
193.03218	13.0
193.06482	2.4
194.07352	1.6
195.07994	7.2
195.09737	1.4
207.10172	76.0
208.10503	2.6
209.09642	1.7
210.06779	1.4
219.10130	8.3
221.05959	4.0
221.09669	2.7
223.07491	3.5
225.09099	3.1
227.10605	9.8
237.09073	2.0
238.09926	1.6
253.08542	3.9
253.12263	4.8
255.10281	9.6
265.08670	3.6
267.09998	2.6
269.08118	2.1
281.11856	3.7
282.08353	1.7
285.11215	7.2
287.12750	29.5
297.11212	4.1
298.11633	1.8
299.12723	4.8
311.12787	15.9
313.14331	21.9
325.14371	3.0
331.15402	33.3
332.15683	2.1
343.15381	4.4
417.50772	1.5
482.26306	4.3
483.18161	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.1
55.05513	33.2
58.99585	1.3
61.01131	5.7
61.02930	1.1
67.05494	2.3
72.04515	8.6
72.89268	1.1
73.02912	2.8
76.02235	5.6
78.03796	12.2
79.05489	1.5
81.03415	1.9
81.07081	1.3
82.06573	1.6
83.04981	76.1
84.05324	1.5
85.02904	3.9
86.06064	2.9
93.07047	1.6
95.04955	1.7
97.02902	2.1
98.02402	1.3
98.06046	2.2
102.03768	24.2
104.01648	1.1
104.17953	1.2
111.08062	2.3
112.07625	1.3
113.05997	1.7
114.03724	5.2
120.01153	2.1
120.04774	1.5
124.07584	1.2
125.09579	1.8
130.08594	1.8
131.06390	11.2
132.04784	10.7
135.08075	1.1
135.11676	1.2
142.06877	5.1
142.08620	4.8
144.04785	1.1
145.05011	1.3
147.05870	2.1
148.04265	1.1
149.07439	42.2
153.09096	6.2
154.08629	7.5
158.06419	1.6
159.05864	1.3
170.06337	1.8
171.10139	5.7
184.09767	1.4
186.05919	2.6
193.12231	1.2
204.06926	6.3
209.50429	1.1
231.11592	3.7
258.07947	1.9
261.12692	4.0
263.08667	1.2
267.15768	1.6
289.10367	4.0
320.04977	2.1
323.10666	1.2
335.10938	12.1
352.13586	100.0
353.13812	4.9
416.00830	1.2
464.18881	24.7
465.18976	2.2
483.18182	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66232	0.5
52.30922	0.5
56.23321	0.5
60.75922	0.4
63.54036	0.4
70.25038	0.5
70.78898	1.0
79.05497	4.0
80.19240	0.6
95.04958	0.6
103.05467	1.9
105.07027	100.0
106.07356	2.4
122.09666	44.8
123.04430	1.0
123.09960	1.0
188.28764	0.7
290.94736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51091	0.3
66.27840	0.4
69.03415	0.5
69.35442	1.6
69.35859	1.1
79.05490	4.8
85.02933	0.4
95.04968	0.8
98.22621	0.5
103.05496	2.2
105.07027	100.0
106.07348	2.7
122.09663	47.7
123.04436	3.6
123.09983	0.9
127.43095	0.5
127.51128	0.4
130.06523	0.4
135.04440	0.6
135.11703	0.6
143.12657	0.4
147.04375	0.7
148.49167	0.5
153.12773	0.5
163.03894	0.7
165.01860	1.4
177.05487	0.6
181.08601	0.5
189.19411	0.5
191.03430	0.7
223.02342	0.5
267.11423	0.6
277.03540	0.6
295.04355	0.5
297.06006	0.6
301.25061	0.5
313.05554	3.1
325.05405	0.5
400.96796	0.5
447.09439	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.9
55.05504	2.1
57.03446	3.9
59.05000	2.0
61.02920	1.5
64.28756	0.7
67.12737	0.8
68.21880	0.7
69.03423	6.9
69.07060	1.6
69.72087	2.6
69.82439	0.8
71.01330	1.3
71.04986	13.8
71.13278	0.9
73.02921	6.7
73.06549	2.8
77.89302	0.7
79.05486	3.7
81.03413	1.2
81.07054	15.5
81.49134	1.0
85.02425	1.3
85.02908	16.6
91.05467	1.6
93.07039	9.0
95.08593	1.9
95.30894	0.9
97.02885	11.4
98.23282	1.2
99.04462	1.1
107.08601	8.7
107.41676	0.9
109.02888	1.3
109.10133	1.3
115.03928	4.4
127.03928	5.6
133.04955	7.0
135.11691	18.5
145.04950	7.7
150.62933	0.8
153.12735	100.0
154.13077	3.7
163.06033	3.1
171.13844	0.9
223.06078	1.2
241.07089	2.0
370.95108	0.8
403.01260	0.8
462.85614	0.8
470.37402	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01870	4.7
55.05507	2.9
56.00494	1.9
57.03430	8.7
61.02933	5.7
67.05478	2.5
69.03428	15.3
69.07068	11.6
69.31475	15.2
71.01347	3.3
71.05005	12.3
73.02916	22.4
79.05489	7.0
81.03408	2.9
81.07058	17.0
85.02897	34.9
85.03371	3.1
87.04433	2.9
91.05486	4.2
93.07050	24.3
95.04957	3.1
95.08598	8.1
97.02888	23.0
97.06548	5.4
99.04419	2.9
105.07018	4.8
107.08592	27.7
107.18681	2.0
109.10143	9.6
115.03951	11.7
119.08562	6.9
125.13259	3.4
127.03912	11.7
133.04947	13.2
135.11691	34.8
145.04968	11.0
147.04446	2.5
153.12740	100.0
163.06013	4.9
165.12755	2.4
168.40318	2.4
171.13841	5.2
173.09445	2.4
199.03664	2.2
223.06003	2.9
249.98286	2.4
259.08154	2.7
285.17010	4.1
299.19647	2.5
315.17963	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.7
55.01860	7.2
55.05517	5.3
57.03438	12.0
59.90158	2.7
67.05475	4.4
69.03425	14.8
69.07075	12.0
69.51015	14.1
69.51439	5.1
71.04993	14.5
73.02908	19.0
75.52147	2.4
79.05478	7.0
81.07056	18.9
83.08602	3.5
85.02898	39.4
87.98321	2.7
90.35671	2.8
91.05463	6.2
91.25906	2.6
93.07043	25.3
95.04951	3.3
95.08598	9.4
97.02889	22.6
97.06513	4.7
98.22728	4.2
105.07038	5.0
107.08589	24.1
109.02856	2.8
109.10175	12.8
111.54565	2.7
115.03922	10.4
119.08575	8.9
121.10201	3.0
125.09521	2.3
125.13274	7.0
127.03946	11.7
133.04985	13.6
135.11693	43.0
145.04941	13.4
151.11168	7.8
153.12740	100.0
161.59686	2.5
163.06038	3.9
165.12701	4.1
165.27390	2.5
184.07350	5.7
201.14638	2.7
223.06073	3.4
259.08112	3.1
285.16885	3.7
315.17850	4.6
442.68961	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.9
57.03424	4.6
59.04984	1.9
61.02924	1.9
62.29678	1.2
67.05510	2.3
67.23869	1.3
69.03432	16.2
69.07050	2.9
69.59477	6.3
71.04989	12.3
73.02895	2.4
73.06547	2.9
79.05485	5.5
81.03428	6.9
81.07063	19.4
83.04990	1.9
83.08615	3.0
85.02905	17.5
87.04462	7.8
87.42506	1.2
91.05479	2.5
93.07044	14.1
95.04951	3.9
95.08604	2.9
96.65050	1.1
97.02891	19.4
97.06508	2.1
103.02705	1.2
105.07008	1.7
107.08596	8.7
109.10132	1.7
111.08118	1.6
114.26991	1.1
115.03922	19.7
117.18339	1.4
119.08567	2.4
123.11771	1.4
127.03915	3.3
133.04964	22.6
135.11687	18.8
145.04958	3.3
153.12740	100.0
153.95314	1.1
154.13043	3.5
171.13750	3.5
175.11212	1.8
175.94638	1.3
193.12274	5.9
211.13342	6.7
223.06078	1.7
224.32779	1.1
241.07193	2.3
259.08139	1.6
267.15936	1.6
277.09256	1.3
282.56970	1.3
285.17023	11.4
295.10114	1.7
442.09009	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76633	1.1
53.03940	1.7
55.01871	6.0
57.03444	12.1
57.07078	2.7
59.05000	1.3
61.02926	5.3
65.03946	1.2
67.05511	24.0
69.03434	15.8
69.07053	2.7
69.31950	3.9
69.32355	2.9
70.06580	1.5
71.01350	2.0
71.04990	2.5
73.02928	14.5
79.05508	2.4
81.03428	2.7
81.07072	3.1
83.04993	2.0
85.02907	38.9
87.08127	1.8
88.16565	1.0
91.05502	2.6
93.07044	11.3
94.80329	1.1
95.05002	1.8
95.08636	3.4
97.02903	21.1
99.04440	1.5
103.03947	1.7
105.07040	13.7
107.04972	1.6
107.08606	10.6
109.02902	3.4
109.10161	45.5
110.10500	1.1
111.04472	1.6
111.11742	2.5
115.03950	11.5
119.04945	1.2
122.09684	3.1
123.04512	1.5
126.49535	1.2
127.03937	11.2
133.04982	15.0
135.11705	22.4
145.04968	14.2
147.04436	7.0
150.07660	3.1
153.12755	100.0
154.13112	3.6
163.03940	3.6
163.06049	7.4
163.07288	1.6
167.07048	2.0
188.81897	1.2
223.06087	2.3
241.07094	2.8
259.08105	1.8
277.09167	2.0
295.10260	1.6
297.16971	1.9
303.12503	1.3
317.57285	1.4
370.44806	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	24.6
55.05499	4.7
57.03432	37.3
57.07061	2.9
59.04999	4.6
60.04510	3.1
61.02925	15.5
67.05489	5.3
69.03428	45.0
69.05962	3.6
69.06358	16.9
69.07072	33.5
71.01344	8.2
71.04971	2.2
73.02914	50.0
76.56831	2.3
79.05495	2.0
81.03409	9.2
81.07051	22.9
83.04949	2.8
83.08613	3.6
85.02903	100.0
87.04462	8.1
91.03952	3.0
91.05501	2.7
93.07040	7.7
95.04957	2.5
95.08597	13.9
96.08950	2.0
97.02889	68.6
97.03513	4.2
97.06534	4.4
99.04444	4.5
99.08108	2.9
99.63155	2.0
103.03970	5.7
105.07011	3.2
107.08603	7.6
109.02879	7.9
109.06533	3.0
109.10165	8.9
111.11716	16.3
113.09625	3.1
115.03929	31.5
119.08573	3.1
121.06433	2.5
123.04444	2.0
125.13258	3.3
127.03911	29.2
131.08496	2.0
133.04958	48.6
133.10138	2.4
135.11726	9.6
137.05948	11.1
137.09677	1.9
138.06300	3.5
144.06592	6.9
145.04959	32.2
147.08064	2.3
150.07608	9.6
153.12752	49.5
159.08052	3.2
162.07645	5.2
163.06018	9.3
168.87660	2.3
171.13799	71.6
172.14189	2.5
180.08669	7.5
214.91499	2.1
223.06029	4.0
233.90215	1.9
241.07057	5.9
249.14906	4.0
295.23117	2.2
307.86212	1.9
345.16904	1.8
483.19995	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84884	3.0
52.41115	3.3
53.66136	3.6
53.87727	3.1
55.05516	31.1
60.08151	7.3
67.05506	12.8
69.07085	5.6
69.75877	16.9
79.05499	11.4
81.07053	20.5
83.04983	33.2
83.08642	7.4
86.09718	18.5
91.05504	16.0
93.07047	26.2
95.08593	38.5
97.06528	4.5
104.10739	37.5
105.07014	25.8
107.08573	23.2
109.06518	4.8
109.10146	19.7
111.08075	7.3
117.07040	6.9
119.08578	38.1
121.06467	5.1
121.10136	15.3
123.08081	6.1
123.11678	6.4
125.00017	15.1
127.07577	5.5
127.09682	3.2
129.07021	8.6
131.08592	20.8
133.06439	4.9
133.10126	19.9
135.08064	5.7
135.11674	8.6
137.05893	3.7
139.07521	6.2
141.07024	4.6
142.07805	16.2
143.08588	15.7
145.10123	33.6
147.11693	10.1
155.08554	11.7
156.09361	8.1
157.10146	60.9
159.11711	32.7
161.09550	5.0
161.13255	6.6
168.09369	3.7
169.10112	26.0
170.10774	5.1
171.08089	5.2
171.11652	25.4
173.13298	10.2
175.11276	4.6
175.14969	3.5
179.08545	3.9
180.09138	4.2
181.10114	6.5
182.10927	4.9
183.11693	25.4
184.07367	38.1
184.12140	4.6
185.13272	14.3
187.11215	6.3
187.14839	5.3
195.11693	17.0
197.09595	6.6
197.13254	22.3
199.14783	6.9
203.10684	4.4
207.11751	9.9
209.13306	15.6
210.06773	7.7
211.11235	5.2
211.14882	14.5
213.12755	5.1
213.16342	7.6
221.13231	4.1
223.11195	4.3
223.14810	17.1
225.08987	19.5
225.16531	5.1
227.10727	4.1
227.18005	6.4
231.13652	6.7
237.12669	5.6
237.16362	8.5
238.06239	6.6
251.18102	3.9
253.08588	14.7
265.19531	6.7
269.15323	7.8
271.16968	6.5
279.17511	4.9
279.20877	4.8
281.07907	27.6
283.09750	3.8
283.16992	7.5
285.18500	8.0
307.20572	20.8
309.21994	4.3
311.09186	22.3
311.20367	3.9
313.10651	8.3
321.48141	3.7
325.21622	100.0
326.21964	9.5
327.23169	20.3
343.11819	55.0
351.12308	5.5
351.23187	3.4
383.15222	6.3
384.35565	4.3
405.24551	3.7
419.29358	5.7
429.27753	10.3
437.71201	4.6
446.27759	5.0
447.29010	17.9
464.28708	4.1
465.30096	54.5
466.30151	4.1
482.32053	6.2
483.31427	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46306	7.7
61.63809	8.1
62.41960	8.7
67.05500	21.2
67.93134	9.2
81.07064	18.1
89.06024	100.0
92.70765	10.1
93.07046	17.4
95.08617	32.3
98.22529	18.0
103.49546	10.0
105.07034	11.7
107.08621	20.9
109.10146	21.7
117.29254	9.8
119.08530	14.9
130.56673	9.0
133.08624	59.6
133.10152	18.4
143.08582	11.6
145.10155	15.7
155.08595	12.0
157.10188	33.9
169.10049	16.6
171.11731	14.2
177.11250	26.0
183.11679	14.9
197.13290	13.4
199.14975	9.5
209.13312	17.7
211.14645	9.9
218.41626	9.9
221.13348	14.1
223.14684	12.3
225.12497	12.4
228.89896	11.0
251.14316	11.0
283.17371	65.7
297.78879	9.4
325.21579	52.2
447.28885	21.7
465.29990	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.9
57.07078	57.9
62.51920	1.1
67.05505	2.0
69.07072	7.4
71.08636	51.7
71.31736	1.0
73.06549	3.6
76.43977	0.9
79.05489	1.3
81.07052	3.4
83.04985	2.8
83.08604	3.3
85.10186	32.2
87.04458	2.5
89.06035	100.0
91.05460	2.1
91.07590	1.3
93.07052	3.1
95.08612	3.2
95.46668	1.0
97.10172	2.6
99.11745	6.8
105.07040	3.5
107.07064	3.8
107.08592	2.5
111.11722	3.3
113.13286	5.6
117.09087	2.9
119.08568	3.7
121.10117	2.0
125.13271	2.3
127.14809	2.7
130.08636	1.7
133.08611	57.7
133.10147	2.5
135.11702	1.5
145.10080	2.8
147.08066	1.4
147.11682	1.6
149.23016	1.1
151.09622	1.6
157.10173	1.2
159.11685	1.5
161.13344	1.6
167.07057	2.2
173.13203	2.2
177.11229	20.3
183.21146	1.5
185.13177	1.4
189.16464	1.4
195.12292	3.1
221.13734	2.4
234.67091	1.0
239.14847	3.3
249.87149	1.2
271.26306	2.9
283.17502	29.0
284.17801	2.1
315.29205	1.6
317.75610	1.2
421.35300	1.5
465.37888	16.0
466.38126	1.4
482.30106	1.1
482.36838	12.0
483.35065	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.7
57.07076	51.9
67.05501	1.8
69.07067	9.8
70.35540	3.2
71.08633	47.6
72.08983	1.2
73.06572	3.2
76.87566	1.0
81.07060	2.9
83.04990	4.0
83.08632	2.9
85.10181	30.3
87.04468	2.9
88.78867	1.3
89.06031	100.0
90.06358	1.4
93.07053	3.5
95.08619	4.1
97.10168	3.5
98.12753	1.1
99.11736	5.5
105.07055	3.0
107.07073	2.5
107.08617	3.4
109.10134	3.0
111.11703	2.7
113.12572	1.0
113.13284	6.3
117.09159	2.2
119.08580	3.4
121.10126	3.1
127.14816	2.8
130.08765	1.1
133.08604	50.2
133.99611	1.0
135.08104	1.1
137.05971	1.5
145.10165	1.9
152.18896	1.2
157.10173	2.0
159.11703	2.0
173.13240	1.9
177.11211	20.3
195.12297	4.4
203.14470	1.0
221.13799	2.5
227.23630	1.3
239.14836	5.4
271.26306	4.1
283.17477	28.5
315.29019	3.4
465.37921	17.2
466.38348	1.6
482.36783	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42511	2.2
53.03956	5.5
55.05262	3.0
55.05513	25.0
60.72375	2.3
67.05504	29.2
69.03435	6.8
69.07079	16.2
69.15361	16.4
69.15757	4.3
71.04998	3.5
79.05495	17.4
81.07049	41.6
83.04990	21.2
83.08649	7.7
91.05486	24.4
93.07050	40.5
95.04971	10.6
95.08042	5.3
95.08613	72.6
97.06539	8.8
99.04461	6.3
105.07039	45.8
105.07719	1.9
107.08596	41.7
109.06536	16.7
109.10171	20.1
111.04455	8.3
111.08101	16.5
115.05479	2.9
117.07035	9.2
119.08577	47.2
121.06506	8.0
121.10150	27.7
122.10468	2.6
123.08072	23.4
123.11719	5.7
125.09634	4.3
128.06230	5.0
129.07027	8.9
130.07816	4.5
131.08545	25.2
133.06512	3.8
133.10155	26.5
135.08072	6.5
135.11716	9.8
137.05960	12.4
137.09637	6.5
137.13353	2.5
137.17113	2.4
139.07576	9.3
141.07016	7.8
141.09123	8.9
142.02045	2.2
142.07791	11.8
143.08565	28.3
145.06470	2.8
145.10138	35.8
147.08046	10.2
147.11681	19.4
149.09631	5.8
149.13229	3.3
151.11041	2.9
154.07808	3.1
155.08562	15.9
156.09380	13.0
157.06508	2.7
157.10127	52.1
158.10538	3.0
159.08072	11.9
159.11696	46.0
161.09657	21.0
161.13239	13.2
163.11238	6.9
165.07022	7.7
166.07915	2.7
167.08635	6.6
168.09361	8.4
169.10147	35.8
170.10902	7.2
171.08020	3.1
171.11714	36.9
172.08817	3.5
173.09633	14.0
173.13300	18.8
175.11224	9.7
175.14883	3.1
177.12851	4.2
179.08577	8.3
179.10681	4.8
181.10152	17.9
182.10880	4.9
183.11696	35.4
184.12425	6.2
185.09634	7.5
185.13281	27.0
187.11229	12.3
187.14771	7.7
189.12756	10.2
191.10663	6.3
193.10130	9.8
194.10901	9.8
195.07996	3.2
195.11722	18.4
196.12418	7.9
197.09619	11.1
197.13258	22.5
199.11215	11.0
199.14772	15.0
201.12732	10.9
201.16411	5.6
203.10692	4.0
203.14294	3.9
205.12134	3.8
206.10866	3.4
207.11702	10.0
208.12376	4.0
209.09660	4.1
209.13280	21.2
210.06747	5.2
210.13980	3.8
211.11208	9.4
211.14830	21.6
213.12787	10.8
213.16341	5.3
215.10674	4.6
215.14380	5.0
217.12273	4.9
219.11821	4.4
219.13884	6.3
221.13289	15.0
222.13812	3.0
223.11205	7.1
223.14835	25.3
224.15253	3.0
225.09160	17.7
225.12779	10.6
225.16277	12.0
227.10657	4.5
227.14345	6.9
227.17973	4.8
229.12207	5.6
229.15883	5.8
231.13846	6.1
233.13130	5.2
233.15346	3.1
235.14766	9.7
236.11966	3.2
237.12775	5.3
237.16351	9.9
238.06232	7.3
239.14383	7.8
239.17990	3.1
241.15912	6.7
243.13773	9.5
243.41556	2.7
245.15427	13.5
247.14806	6.7
247.17070	6.4
249.16376	8.2
251.14378	10.8
251.17995	5.8
253.08649	15.0
253.15887	10.1
253.19681	4.1
254.05865	4.4
255.06499	3.5
257.15631	2.7
259.16986	5.1
261.16486	3.5
263.18066	6.6
265.16147	4.0
265.19525	7.7
267.14059	2.7
267.17462	7.6
269.15378	12.4
269.18796	4.2
271.17004	8.0
279.17612	5.8
279.21060	3.4
281.08078	19.9
281.18958	6.7
283.09259	3.5
283.16922	6.6
284.17221	2.9
285.18558	9.9
289.16080	2.7
289.19479	4.5
291.17545	4.3
293.18909	3.4
295.16812	3.3
297.18561	5.1
298.08487	4.1
299.20093	9.2
301.07050	6.4
305.19089	4.4
307.17239	3.0
307.20569	16.5
309.18381	3.8
311.09177	8.8
311.20059	2.9
312.09988	4.1
313.10815	6.5
315.08658	13.5
321.25729	3.0
325.21634	22.9
333.22137	6.6
343.11823	31.9
343.22800	3.5
349.21625	3.4
351.23065	7.0
366.25677	3.4
367.26419	3.5
373.16614	5.4
401.28195	3.3
403.26108	3.8
405.27884	8.2
409.23294	3.5
419.29532	14.6
421.27664	5.5
423.14154	100.0
423.29141	14.2
424.14743	8.3
429.28030	23.1
430.28220	3.1
437.30453	7.0
439.28607	21.8
441.29767	4.8
447.29214	49.7
448.29214	6.6
465.30093	78.3
466.30234	5.2
483.23993	6.3
483.31213	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.3
51.02374	0.5
51.67030	0.2
53.03951	0.7
55.01867	0.6
65.03931	0.4
67.05506	0.3
69.03413	0.4
69.35557	1.5
69.84225	0.2
70.07352	0.2
77.03930	0.5
79.05499	1.9
81.07061	3.5
89.77832	0.2
91.05476	3.8
91.06005	0.3
93.07023	0.3
94.79673	0.2
95.04974	1.0
95.08617	0.4
102.04653	0.4
103.05466	48.4
104.05787	1.2
105.04506	0.5
105.07030	11.0
105.69556	0.2
107.04959	0.3
107.08598	0.4
109.06516	1.2
109.10225	0.2
111.04406	0.2
115.05456	2.1
117.07017	0.5
119.04946	5.6
119.08578	0.5
121.06499	0.4
123.08069	0.4
128.06245	0.4
129.06979	0.3
131.04926	100.0
132.05252	2.7
133.06488	8.9
134.06810	0.3
135.08043	0.2
137.05968	6.1
139.07648	0.2
143.06073	1.1
143.08574	0.6
145.10153	0.5
146.07237	0.3
147.04408	9.0
151.07549	1.2
155.08572	0.5
157.10117	0.3
159.08086	0.4
159.11650	0.2
161.05975	25.5
161.09590	0.8
162.06337	0.7
163.07541	30.6
164.07913	0.8
165.05513	0.2
167.08514	0.3
169.10126	0.3
171.08020	0.3
171.11751	0.3
173.09641	0.3
175.07588	0.2
175.11197	0.4
179.07042	6.8
179.08630	0.4
181.08624	0.3
183.11783	0.4
185.05734	7.6
185.09615	0.2
186.06012	0.3
189.09138	0.7
193.10207	0.3
195.11752	0.4
197.13469	0.3
199.07510	1.5
201.05263	1.0
202.07681	0.3
203.08511	0.5
207.11682	0.6
213.12675	0.4
215.10870	0.2
220.09027	0.3
231.08060	0.7
231.10120	0.8
241.15930	0.2
243.13785	0.3
248.08257	0.2
259.07602	0.6
261.07401	1.5
285.14236	0.2
291.10132	4.4
292.10547	0.3
295.83356	0.2
306.42218	0.2
321.10962	0.5
323.12726	1.7
374.72546	0.2
393.20483	1.1
401.15952	0.3
405.20398	0.7
421.23480	0.3
423.14066	2.0
423.20404	0.5
465.22482	0.4
483.16547	2.2
483.23141	0.4
484.16174	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
53.20116	0.7
55.01865	0.9
55.05515	76.0
56.05839	2.4
59.04994	1.0
67.05505	5.2
68.34008	0.8
69.03415	0.8
69.07074	1.8
69.25687	6.4
76.02102	0.8
76.71499	0.7
79.05499	2.4
80.36072	0.7
81.07070	4.5
83.04984	100.0
84.05315	1.1
91.05490	5.3
93.07036	7.9
94.07323	0.8
95.04984	1.8
95.08610	10.0
96.08932	1.0
97.06551	1.7
99.04464	1.0
105.07038	5.8
107.04940	0.9
107.08582	6.8
109.06526	1.7
109.10168	3.7
109.44720	0.7
111.04454	2.2
111.08099	3.0
115.05486	1.4
117.07017	1.7
119.08593	7.8
121.06519	2.3
121.10153	2.5
123.08040	3.8
125.05989	1.3
127.07548	1.0
128.06247	1.7
129.07027	2.2
131.08572	5.0
133.10139	4.6
135.08058	1.8
135.11668	1.7
137.06026	1.1
137.09627	1.2
139.07550	1.2
141.05463	7.6
141.06996	1.1
141.09122	0.8
142.07782	2.1
143.08595	4.9
145.06551	1.2
145.10152	6.8
147.08072	1.1
147.11737	2.4
149.09608	2.1
153.06961	0.9
155.08545	2.7
157.10123	7.3
158.10709	0.9
159.08057	1.9
159.11731	4.7
161.09633	2.5
161.13319	1.6
163.07518	1.2
163.11270	0.8
165.07048	3.3
166.07845	0.9
167.07095	1.4
167.08594	1.6
169.06526	0.8
169.10156	4.3
171.08141	2.1
171.11700	4.9
172.12106	0.9
173.09685	2.7
173.13269	2.7
175.11240	2.6
175.14941	1.0
177.06863	0.8
178.07819	1.2
179.08549	1.4
180.09447	1.0
181.06461	1.5
181.10120	2.7
182.10777	0.9
183.08052	0.8
183.11739	3.8
185.09653	1.4
185.13316	2.3
187.07568	0.9
187.11168	2.6
189.12733	2.0
190.07715	1.0
191.08650	1.0
193.10172	2.4
194.07350	1.4
194.10765	1.7
195.08051	1.5
195.11682	3.8
196.12378	1.2
197.09570	1.6
197.13359	4.7
199.07552	1.0
199.11243	1.1
199.14827	1.4
201.09084	1.0
201.12775	1.7
205.06584	1.7
207.08037	1.3
207.11737	2.8
208.08849	1.1
208.12204	0.8
209.09746	2.0
209.13226	2.8
210.06885	1.2
211.07690	1.3
211.11180	1.3
211.14862	2.3
213.12741	1.6
219.08102	1.5
219.11783	1.0
221.06075	1.8
221.13327	3.8
222.06781	2.8
222.13806	1.2
223.11131	2.1
223.14795	2.7
225.05356	1.4
225.09132	0.8
225.12863	2.2
225.16310	1.3
227.06873	1.0
227.14395	1.8
233.06107	1.0
233.13158	0.9
234.06801	2.1
235.07541	2.0
235.14868	2.2
236.08328	1.6
236.15297	0.8
237.09129	2.8
237.12843	1.3
237.16362	2.1
239.07036	2.9
239.14281	1.8
240.04216	3.2
246.06766	1.2
247.07561	1.4
247.14821	1.5
248.08411	0.8
249.05498	1.3
249.09265	1.0
249.16458	1.4
250.06230	4.1
251.07111	3.0
251.14218	1.4
251.18019	1.1
252.07713	1.3
253.05017	2.1
253.08554	1.1
253.12308	1.9
253.15796	0.9
254.05719	1.4
261.05386	1.1
261.16293	1.0
263.07056	2.0
263.18082	1.0
264.07880	2.4
265.05429	1.2
265.08633	8.4
265.11511	0.8
266.05844	2.0
266.09045	1.2
267.06458	8.0
267.13931	1.0
267.17380	1.2
269.07996	1.1
275.07114	1.0
276.07916	1.2
277.08676	1.7
278.05780	3.0
279.06635	2.3
279.10010	1.0
279.17487	1.4
279.20834	0.8
280.07346	3.2
281.04471	0.8
281.08090	1.8
281.19153	0.9
282.05331	1.0
283.06094	1.1
283.16721	0.9
284.45245	0.8
290.05679	1.5
291.06680	2.5
292.07278	4.6
293.04871	1.2
293.08051	10.2
293.15314	1.4
294.05377	1.3
294.08688	1.7
295.05997	2.5
295.09491	1.7
297.07632	5.6
297.11163	1.8
297.18604	1.6
299.05338	1.0
301.07169	3.1
304.07306	3.0
305.08014	2.1
305.18890	1.2
307.06021	4.4
307.09714	3.2
307.16971	0.9
307.20395	1.3
308.06842	5.1
309.07718	3.9
309.10962	0.9
310.08377	1.6
311.05545	1.7
311.09079	1.3
313.07007	0.9
314.07849	0.9
320.06781	1.1
321.07605	3.8
322.08270	1.8
323.05649	1.8
323.09109	13.0
324.09775	1.9
324.20508	1.4
325.07083	2.4
325.10782	4.4
325.21341	2.4
326.07748	0.9
327.08636	3.1
329.10266	3.5
332.06775	0.9
333.07788	0.9
333.22147	1.0
334.08270	1.2
335.05569	1.0
335.09262	2.9
337.07056	2.2
337.21469	0.9
338.07959	2.4
339.08643	3.4
340.09326	2.0
341.10251	2.1
350.07864	2.7
351.08701	3.4
351.23148	0.9
352.09213	1.7
353.06284	1.4
353.10242	12.9
354.10934	1.9
355.11826	7.2
356.12015	0.9
361.21396	0.9
365.10236	16.0
366.10782	1.5
368.08975	2.8
383.11252	56.8
384.11377	3.7
401.24652	1.2
405.28049	1.3
407.22043	1.4
419.25891	2.4
429.28262	1.6
447.19604	0.8
447.24597	2.6
447.29111	4.0
464.28766	1.0
465.29898	6.8
483.16400	3.7
483.24426	2.9
483.30920	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
55.01862	2.2
55.05518	10.0
57.03434	4.8
67.05502	7.2
69.03435	6.2
69.06722	3.0
69.07066	26.3
70.19180	4.4
70.19563	3.8
71.04971	4.6
79.05502	13.1
81.03443	2.1
81.07059	13.7
81.56127	2.1
83.01302	2.1
83.04979	3.4
85.02911	3.6
85.06541	4.1
91.05472	3.9
93.07062	9.8
95.04961	3.1
95.08605	9.0
97.06533	63.7
97.10165	6.5
99.04411	2.2
99.53530	2.1
105.07045	6.8
107.04961	3.2
107.08588	9.0
109.06493	3.1
109.10162	6.2
111.08064	4.0
116.73215	2.3
117.03371	2.6
117.07054	2.1
119.04980	2.5
119.08588	3.4
121.06499	2.3
121.10171	3.2
123.07999	2.2
129.06998	3.2
129.09169	3.2
131.04932	2.3
131.08565	4.0
133.02873	3.3
133.10173	4.2
135.04404	8.1
135.08017	2.9
135.11653	2.6
137.06009	8.8
139.03935	2.3
141.01920	2.1
142.07785	2.1
143.08647	2.7
143.10849	2.7
145.02840	3.2
145.10095	5.9
147.11728	2.5
149.09589	2.9
151.07538	3.1
153.01759	3.2
153.05463	3.6
155.08546	9.0
156.09221	2.1
157.10086	3.3
159.04410	8.4
159.08151	2.2
159.11644	5.1
161.02341	30.1
163.03908	44.1
163.79533	2.0
173.02344	63.6
175.11206	1.9
183.11562	2.1
184.07326	2.9
185.05940	3.4
187.07582	3.5
191.03371	8.9
198.50768	2.3
199.94066	1.9
213.09073	2.7
215.07024	100.0
216.07384	2.4
227.72452	2.2
230.14851	2.0
233.08047	4.9
235.14684	2.4
241.08572	14.5
259.09692	27.5
273.11246	14.8
291.12268	61.4
304.05310	2.7
305.05338	5.0
317.08426	29.5
321.17599	2.6
483.18347	75.2
483.24930	4.2
483.29550	2.9
484.18741	5.9
492.48831	1.9
492.73941	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.6
55.05511	2.5
57.03426	5.4
61.02921	3.7
61.13559	2.2
67.05508	5.1
69.03436	3.5
69.07072	21.3
70.52351	3.7
71.04985	1.9
71.08626	7.9
76.01948	1.7
79.05494	14.1
79.05888	1.8
81.07050	5.9
83.04956	2.4
85.02893	5.5
85.06540	3.6
87.30528	1.7
89.03925	3.0
91.05473	5.1
93.07040	2.8
95.04948	2.7
95.08570	2.3
97.02863	2.6
97.06532	91.4
99.08073	11.6
105.07019	2.3
107.08599	2.3
109.06555	2.6
109.10168	1.9
111.08095	4.6
117.03404	2.8
119.08575	2.1
129.06987	1.9
129.09119	3.0
129.12753	2.0
133.02881	2.3
135.04439	7.0
137.05988	2.8
138.66565	1.9
139.07513	1.9
145.02867	6.6
145.10126	2.0
147.04370	2.8
155.08548	25.7
159.04448	9.4
159.08015	3.2
161.02322	26.0
163.03905	58.3
173.02335	64.4
173.15388	8.1
177.20059	2.0
185.05916	4.5
191.03470	10.1
205.12289	2.1
213.09276	2.3
215.07034	100.0
216.07239	2.4
233.08029	4.6
241.08572	18.8
259.09671	32.2
273.11221	15.2
291.12274	87.4
292.12534	3.0
317.08524	2.8
332.26883	2.7
465.18103	3.1
483.18585	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.1
55.01881	4.0
55.05517	11.6
57.03453	4.8
57.07075	2.0
59.05043	1.9
65.03970	2.8
67.05515	13.7
69.03432	44.6
69.07072	18.2
71.04995	6.7
73.02932	2.2
77.03949	2.6
79.05499	22.3
81.03409	2.1
81.07059	26.7
83.04987	8.9
83.08637	3.6
85.02906	5.3
85.06533	9.2
89.03954	2.0
91.05486	17.9
91.33576	2.2
92.87233	1.7
93.07056	18.5
94.53589	1.7
95.04976	7.1
95.08609	22.7
97.02904	6.7
97.06532	33.4
97.10176	2.3
99.04472	11.2
99.08119	2.0
101.06023	2.6
105.07034	18.8
107.04943	3.0
107.08602	16.5
109.02866	2.6
109.06530	19.2
109.10166	11.0
111.04461	2.5
111.08089	11.6
111.08781	1.8
112.08849	2.0
117.03419	2.1
117.07031	8.3
119.08600	15.0
121.06540	6.7
121.10159	13.8
123.04408	2.8
123.08088	12.1
123.11705	8.8
125.06005	6.5
125.09637	6.0
127.03951	4.4
127.07676	2.4
128.06236	4.6
129.06982	6.7
131.08565	13.9
133.02882	6.7
133.10158	8.6
135.04430	4.2
135.08098	10.0
135.11716	7.7
137.05991	12.5
137.09653	4.1
139.03888	2.3
139.07544	9.3
139.11189	8.3
141.07011	7.5
142.07800	4.8
143.08563	11.0
145.02895	3.0
145.06511	5.5
145.10100	12.7
147.04376	4.6
147.08083	7.0
147.11676	5.7
149.05989	2.4
149.09622	4.9
151.03896	3.0
151.07549	4.3
153.06969	3.2
155.08565	7.3
157.10114	14.0
159.04495	5.6
159.08070	8.4
159.11736	5.9
161.02240	10.8
161.05916	2.7
161.09619	8.3
161.13162	2.1
162.03064	2.2
163.03902	28.8
163.11140	9.7
165.05411	2.5
165.07004	4.5
166.07730	2.2
167.08589	7.8
167.10695	6.6
169.06447	3.0
169.10124	15.7
171.08046	4.9
171.11693	10.5
173.02348	95.9
173.09634	12.0
173.13278	3.9
174.02715	2.8
175.11180	6.6
177.05505	10.2
179.08531	4.8
179.10736	4.4
181.10153	10.7
181.12228	31.7
182.10957	2.5
183.08084	4.2
183.11728	7.1
184.08650	2.4
185.06027	4.0
185.09621	10.9
185.13318	4.0
187.07602	2.8
187.11211	5.2
189.09155	6.0
189.16545	2.4
191.03398	8.7
191.08763	3.4
191.10681	9.9
192.09410	2.8
193.10165	8.0
193.11993	1.9
195.08128	5.7
195.11702	6.7
196.12375	3.2
197.05939	2.5
197.09697	3.5
197.13287	5.0
199.11211	5.3
199.14799	4.8
201.12802	4.2
203.08765	2.4
203.10649	4.6
205.10248	2.8
206.10892	2.7
207.11871	9.2
209.09692	5.2
209.11703	74.4
211.11110	3.4
211.14888	2.3
213.09200	4.5
213.12775	4.2
215.07031	76.1
215.09026	4.1
216.07465	2.5
217.10210	3.3
217.12152	2.3
218.10941	2.6
219.11739	3.5
221.09781	2.4
221.13260	7.8
223.07674	4.1
223.11285	3.3
223.14844	3.4
225.09248	2.3
225.12750	5.2
227.14307	7.3
232.12473	2.6
233.13313	3.1
235.11296	2.9
235.14807	5.3
235.16879	2.1
239.14212	4.1
241.08578	27.0
245.13396	2.7
247.14931	3.0
249.12706	5.8
249.16348	2.9
251.14290	6.0
251.17973	3.5
257.15558	2.1
259.09644	46.4
263.14120	2.6
263.18158	2.6
265.15927	7.7
267.10535	2.6
267.13708	3.7
273.11203	100.0
274.11688	3.5
275.14758	3.0
275.17719	3.0
279.17480	4.8
291.12280	3.1
293.18942	3.1
295.20660	2.5
297.18048	2.1
309.50220	2.1
317.08481	13.0
325.17975	2.8
327.15903	3.6
355.22800	2.8
356.39447	2.1
395.22220	2.6
405.20264	4.9
405.24930	3.4
407.22330	3.3
419.22614	2.5
423.21259	31.6
423.25375	45.8
424.26242	2.6
439.23792	11.6
447.21982	4.7
453.22772	5.8
465.22205	7.7
465.27390	4.1
483.18256	21.4
483.24402	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.1
55.01881	4.0
55.05517	11.6
57.03453	4.8
57.07075	2.0
59.05043	1.9
65.03970	2.8
67.05515	13.7
69.03432	44.6
69.07072	18.2
71.04995	6.7
73.02932	2.2
77.03949	2.6
79.05499	22.3
81.03409	2.1
81.07059	26.7
83.04987	8.9
83.08637	3.6
85.02906	5.3
85.06533	9.2
89.03954	2.0
91.05486	17.9
91.33576	2.2
92.87233	1.7
93.07056	18.5
94.53589	1.7
95.04976	7.1
95.08609	22.7
97.02904	6.7
97.06532	33.4
97.10176	2.3
99.04472	11.2
99.08119	2.0
101.06023	2.6
105.07034	18.8
107.04943	3.0
107.08602	16.5
109.02866	2.6
109.06530	19.2
109.10166	11.0
111.04461	2.5
111.08089	11.6
111.08781	1.8
112.08849	2.0
117.03419	2.1
117.07031	8.3
119.08600	15.0
121.06540	6.7
121.10159	13.8
123.04408	2.8
123.08088	12.1
123.11705	8.8
125.06005	6.5
125.09637	6.0
127.03951	4.4
127.07676	2.4
128.06236	4.6
129.06982	6.7
131.08565	13.9
133.02882	6.7
133.10158	8.6
135.04430	4.2
135.08098	10.0
135.11716	7.7
137.05991	12.5
137.09653	4.1
139.03888	2.3
139.07544	9.3
139.11189	8.3
141.07011	7.5
142.07800	4.8
143.08563	11.0
145.02895	3.0
145.06511	5.5
145.10100	12.7
147.04376	4.6
147.08083	7.0
147.11676	5.7
149.05989	2.4
149.09622	4.9
151.03896	3.0
151.07549	4.3
153.06969	3.2
155.08565	7.3
157.10114	14.0
159.04495	5.6
159.08070	8.4
159.11736	5.9
161.02240	10.8
161.05916	2.7
161.09619	8.3
161.13162	2.1
162.03064	2.2
163.03902	28.8
163.11140	9.7
165.05411	2.5
165.07004	4.5
166.07730	2.2
167.08589	7.8
167.10695	6.6
169.06447	3.0
169.10124	15.7
171.08046	4.9
171.11693	10.5
173.02348	95.9
173.09634	12.0
173.13278	3.9
174.02715	2.8
175.11180	6.6
177.05505	10.2
179.08531	4.8
179.10736	4.4
181.10153	10.7
181.12228	31.7
182.10957	2.5
183.08084	4.2
183.11728	7.1
184.08650	2.4
185.06027	4.0
185.09621	10.9
185.13318	4.0
187.07602	2.8
187.11211	5.2
189.09155	6.0
189.16545	2.4
191.03398	8.7
191.08763	3.4
191.10681	9.9
192.09410	2.8
193.10165	8.0
193.11993	1.9
195.08128	5.7
195.11702	6.7
196.12375	3.2
197.05939	2.5
197.09697	3.5
197.13287	5.0
199.11211	5.3
199.14799	4.8
201.12802	4.2
203.08765	2.4
203.10649	4.6
205.10248	2.8
206.10892	2.7
207.11871	9.2
209.09692	5.2
209.11703	74.4
211.11110	3.4
211.14888	2.3
213.09200	4.5
213.12775	4.2
215.07031	76.1
215.09026	4.1
216.07465	2.5
217.10210	3.3
217.12152	2.3
218.10941	2.6
219.11739	3.5
221.09781	2.4
221.13260	7.8
223.07674	4.1
223.11285	3.3
223.14844	3.4
225.09248	2.3
225.12750	5.2
227.14307	7.3
232.12473	2.6
233.13313	3.1
235.11296	2.9
235.14807	5.3
235.16879	2.1
239.14212	4.1
241.08578	27.0
245.13396	2.7
247.14931	3.0
249.12706	5.8
249.16348	2.9
251.14290	6.0
251.17973	3.5
257.15558	2.1
259.09644	46.4
263.14120	2.6
263.18158	2.6
265.15927	7.7
267.10535	2.6
267.13708	3.7
273.11203	100.0
274.11688	3.5
275.14758	3.0
275.17719	3.0
279.17480	4.8
291.12280	3.1
293.18942	3.1
295.20660	2.5
297.18048	2.1
309.50220	2.1
317.08481	13.0
325.17975	2.8
327.15903	3.6
355.22800	2.8
356.39447	2.1
395.22220	2.6
405.20264	4.9
405.24930	3.4
407.22330	3.3
419.22614	2.5
423.21259	31.6
423.25375	45.8
424.26242	2.6
439.23792	11.6
447.21982	4.7
453.22772	5.8
465.22205	7.7
465.27390	4.1
483.18256	21.4
483.24402	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47707	0.7
62.52067	0.7
65.03941	1.3
67.05496	1.9
69.03426	1.3
69.08188	6.4
69.21502	0.8
79.05499	1.4
83.05000	1.5
85.02893	1.5
89.03905	4.8
90.70052	0.7
91.05476	6.8
94.06557	1.8
95.04958	2.3
97.02859	1.0
98.23435	1.3
105.07028	8.4
106.07380	2.1
107.04942	1.6
110.06030	0.8
117.03392	5.3
119.04932	17.5
122.06052	1.2
122.09662	4.8
134.05943	0.9
135.04398	11.2
136.07605	0.8
137.74727	0.7
145.02867	6.8
146.08334	1.1
147.04405	62.6
148.04727	2.7
162.05600	0.8
163.03897	50.4
164.04173	1.7
165.05496	0.9
169.08893	1.3
170.08347	0.9
170.09651	1.4
177.05446	1.8
180.08087	1.0
181.08878	2.1
182.08325	1.1
182.09702	1.1
183.09178	2.1
184.09818	1.1
184.11215	2.3
194.09662	3.7
195.05518	1.3
195.09142	5.6
196.09912	20.6
197.08336	0.8
197.10660	6.1
197.12056	0.7
198.07872	1.8
199.08633	1.8
200.09520	0.8
205.07629	1.0
206.08391	43.2
207.08731	2.0
209.07085	3.7
209.10721	3.0
210.07796	1.0
210.11581	3.5
211.08672	3.1
211.12286	21.2
212.09264	1.5
213.06767	1.0
213.10219	2.2
220.09947	8.4
221.10748	16.3
222.11067	1.1
223.08665	10.6
224.09427	16.3
225.10191	3.4
226.11043	1.8
227.08142	9.7
227.11766	1.2
228.08965	0.9
237.10205	7.8
238.11006	14.2
239.08351	3.8
239.11794	44.1
240.08762	1.0
240.12299	1.6
241.09718	3.5
252.08968	2.3
254.10489	3.0
257.12869	6.8
267.11267	81.8
268.11789	4.1
272.11508	2.7
275.14001	1.2
285.12317	100.0
286.12656	4.9
303.08542	3.9
303.13379	73.6
304.13831	3.7
319.08102	5.8
321.14459	4.8
343.78137	0.9
483.13391	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	47.9
83.04976	49.6
84.05297	1.5
84.88895	1.2
89.82430	1.5
90.18566	1.4
98.22556	2.8
124.87650	1.3
158.35664	1.5
165.07001	2.8
179.08595	2.1
181.06541	1.8
182.07294	6.6
188.08369	2.9
194.07339	1.5
195.08076	3.1
197.09639	6.6
199.07510	2.4
203.10611	9.9
210.06697	15.3
211.07439	2.5
212.08295	2.4
223.03728	1.5
223.07576	2.5
225.05617	1.8
225.09079	30.4
226.09363	2.9
227.07066	2.5
235.07558	2.4
237.05505	1.9
238.06238	10.8
239.06801	2.4
240.07719	4.4
242.09340	2.2
251.07027	2.0
252.07796	4.3
253.04846	2.0
253.05948	1.8
253.08588	26.5
254.09024	2.8
255.06339	2.3
255.10176	3.2
263.06824	2.8
265.12302	1.6
266.05804	4.9
267.06491	3.4
268.07300	6.4
269.07965	1.8
270.08792	3.1
280.07300	3.0
281.08044	56.7
281.11136	3.0
282.08530	4.1
283.09665	5.4
285.11166	3.0
293.11710	1.6
296.06744	3.0
297.07605	3.4
298.08389	4.3
311.09122	47.2
312.09653	5.4
313.07355	2.8
313.10709	18.0
315.08661	3.5
323.12918	1.6
328.09360	4.6
337.10464	2.3
343.11752	100.0
344.12012	4.6
351.12219	8.6
352.12665	3.3
353.13791	2.1
383.14844	8.6
473.70291	1.5
483.19940	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.4
55.05512	76.4
56.05850	1.5
59.55877	0.5
65.51259	0.4
69.07045	0.7
69.08022	2.2
69.08443	1.8
70.94533	0.5
75.04463	0.5
77.73106	0.5
79.99458	0.5
83.04982	100.0
84.05314	1.8
91.05413	0.5
91.79287	0.5
98.23396	0.7
99.55634	0.5
101.51612	0.6
105.07018	0.6
119.08563	0.7
186.06670	0.4
193.79770	0.6
207.07892	0.6
219.07896	0.7
226.05814	0.5
233.09380	1.2
235.07278	2.0
235.10902	0.5
247.07199	1.1
247.09453	1.3
248.08110	0.9
249.08984	0.9
250.09605	2.2
251.10464	0.6
253.08356	0.5
261.08725	0.8
262.11856	1.1
263.06705	2.2
263.10202	1.3
264.07437	1.4
265.08411	0.6
265.11844	3.8
267.09750	0.5
276.07544	0.6
277.08530	2.7
278.09363	2.7
279.10092	2.3
280.10605	0.7
281.07614	1.4
289.08200	0.6
290.08994	0.7
291.06094	1.0
291.09726	1.4
292.06796	0.5
292.10416	0.9
293.07904	1.0
293.11267	3.4
294.08429	0.8
294.11887	1.0
294.99658	0.5
295.09171	1.5
300.05917	0.6
303.09766	0.7
305.07553	2.9
305.11261	0.8
306.08179	1.5
307.09134	2.0
307.12411	0.7
308.09674	0.6
309.06924	0.7
309.10574	0.8
315.08163	1.3
319.09039	1.7
320.09915	1.2
321.07214	0.9
321.10672	2.5
322.07809	0.8
322.11450	1.1
323.08542	1.3
323.12198	1.3
324.09558	0.8
333.10568	1.5
334.11462	1.0
335.04813	0.6
335.08606	1.0
335.12299	0.7
336.09210	2.1
337.10724	3.2
338.10846	0.9
339.11771	0.8
343.11102	1.6
348.09372	0.8
349.09964	1.8
350.07211	0.8
351.12268	6.4
352.13000	6.9
353.10095	2.2
353.13834	12.9
354.13501	1.3
361.10022	1.0
363.11813	1.0
365.09390	1.8
365.13458	1.0
367.11191	0.9
367.15164	0.7
368.11823	1.3
371.14520	0.9
377.13123	0.6
379.10934	1.8
380.11893	1.0
381.12595	2.6
383.14032	6.9
387.15326	0.5
394.13162	1.6
395.14624	2.4
396.15039	0.9
397.11926	1.7
399.13580	1.5
401.15085	0.9
405.16440	0.6
407.14160	0.7
409.15442	1.1
409.20059	1.0
411.13470	1.5
412.14139	1.9
413.15024	1.2
414.16769	3.3
420.18521	1.1
421.15341	0.6
427.17511	3.3
437.18512	1.6
451.19901	2.8
452.20798	1.6
483.18835	17.9
484.19540	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70080	2.0
53.03947	5.1
55.05513	79.0
65.31496	2.0
67.05499	13.9
69.06219	8.5
69.06636	12.1
69.07072	10.3
71.04987	3.3
71.78455	1.9
79.05502	12.9
81.07056	21.1
83.04980	74.4
83.05457	4.3
83.08622	2.1
85.06539	2.9
91.05489	11.1
93.07040	23.6
93.83027	2.2
94.90897	1.9
95.04973	5.9
95.08604	42.1
96.38322	1.8
97.06542	4.8
105.07039	23.1
107.08593	27.5
109.06530	7.3
109.10145	13.5
111.04439	2.8
111.08102	6.1
117.06996	4.4
119.08588	30.9
121.06561	5.7
121.10131	14.5
123.08083	10.3
123.11745	4.4
128.06200	3.0
129.07030	5.4
130.07784	2.7
131.08557	12.8
133.06503	4.2
133.10127	22.3
135.08069	7.2
135.11713	4.7
137.05983	2.8
137.09596	3.3
139.07581	4.7
142.07782	3.1
143.08554	11.7
145.06557	2.5
145.10150	21.7
147.08075	6.9
147.11659	12.6
149.09633	4.1
149.13260	2.3
154.07886	2.5
155.07181	2.1
155.08588	6.2
156.09349	2.9
157.10106	17.2
158.07347	2.5
159.08118	5.2
159.11678	18.7
161.09644	7.7
161.13272	6.0
163.11267	4.0
165.06932	4.6
166.07895	2.7
167.08664	3.8
169.10164	8.0
171.08168	5.1
171.11728	14.4
173.09642	7.4
173.13284	6.2
175.11221	5.6
177.09167	4.0
177.12805	3.2
179.08499	5.1
181.10104	3.9
182.07265	12.4
183.11749	7.9
185.09669	4.6
185.13275	10.1
187.11195	9.4
187.14864	7.4
189.09224	2.4
189.12753	7.9
191.10704	2.6
193.10144	3.3
195.08116	2.8
195.11725	6.4
196.08755	2.9
197.09633	9.9
197.13379	7.8
199.07590	5.4
199.11168	3.9
199.15002	2.3
201.12798	6.0
203.10710	12.3
203.14426	3.7
205.12433	2.6
207.11743	3.3
209.13269	5.6
210.06744	18.5
211.07469	2.3
211.11093	2.4
211.14787	4.2
213.12834	6.9
213.16490	3.4
215.10663	3.4
215.14328	6.2
217.12308	4.3
219.11755	2.6
219.13838	4.1
221.13373	3.6
222.06718	2.9
222.42613	2.6
223.07555	4.3
223.14793	4.8
225.05614	3.5
225.09154	42.1
225.16510	3.0
226.06207	3.0
226.09750	2.7
227.06995	5.6
227.14301	5.3
229.12276	2.9
231.13812	7.2
233.15436	5.1
235.07628	2.7
237.12653	2.4
237.16466	3.5
238.06210	12.6
239.14244	2.7
240.07802	6.1
241.08521	2.3
241.15933	2.4
245.15298	3.2
249.14877	4.0
251.06941	3.8
251.14284	3.5
252.07851	5.8
253.04849	4.8
253.08611	35.5
253.15875	3.4
255.06526	2.6
255.10153	2.9
255.13844	2.2
257.15302	3.6
266.05835	5.1
267.06561	4.3
267.10019	2.4
268.07324	5.2
270.08795	5.0
275.16483	2.7
278.09393	2.3
281.08081	70.2
282.08655	3.3
283.09750	7.8
285.11154	3.1
285.18527	3.0
293.11627	2.9
296.06900	3.8
297.07550	7.0
297.18616	2.6
298.08304	2.8
311.09134	61.9
312.09824	9.2
313.10617	18.2
315.08682	4.3
321.11234	2.7
323.12863	4.2
325.21609	8.6
328.09396	3.2
331.36313	2.3
341.21152	2.7
343.11761	100.0
343.22784	7.8
344.12128	8.1
351.12225	6.6
351.23126	2.7
353.13885	3.2
383.14984	12.2
389.21014	2.9
419.29584	4.9
429.27896	4.6
447.29047	7.0
465.31076	14.0
466.30099	2.8
483.23605	21.9
483.30975	27.8
484.31137	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
55.05517	0.5
56.80680	0.4
57.03440	1.2
61.02923	1.0
67.05502	0.7
69.03442	1.9
69.07072	0.8
70.03793	0.4
70.48262	1.4
71.09748	0.4
73.02914	4.2
73.49294	0.3
75.11878	0.3
75.63164	0.4
81.03459	0.4
81.07064	0.9
83.04998	1.0
85.02908	2.9
86.03226	0.6
87.04371	0.4
91.05486	0.7
93.07042	1.0
95.04923	0.5
95.08605	0.7
97.02911	2.5
98.03224	1.1
104.91960	0.4
105.07016	0.7
107.08612	1.0
111.08130	0.3
115.03951	1.2
119.08604	0.5
121.10130	0.5
123.04341	0.5
127.03927	0.8
133.04967	0.9
134.05284	0.5
139.03767	0.5
145.05003	1.2
161.03024	0.5
202.28543	0.4
203.05293	1.0
226.30766	0.5
259.07855	0.8
282.27972	0.4
321.16730	1.6
324.00015	0.4
483.21994	100.0
484.22366	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01868	0.3
55.05510	67.7
56.05847	1.1
60.29973	0.2
63.95262	0.2
67.05497	0.9
69.07071	0.6
69.20118	1.8
79.05483	0.8
81.07053	1.0
83.04979	100.0
84.05316	1.9
85.06487	0.2
91.05464	1.0
93.07048	1.6
95.08606	2.9
99.04470	0.2
105.07014	1.5
107.08579	1.5
109.06524	1.1
109.10148	1.0
111.08004	0.6
113.25067	0.2
117.07065	0.4
117.88624	0.2
119.08578	1.9
121.06493	0.3
121.10131	1.2
123.08060	0.6
129.06985	0.4
131.08534	0.8
133.10127	1.4
135.08069	0.6
135.11615	0.3
137.05971	0.6
137.09680	0.3
139.07533	0.4
141.07004	0.3
142.07758	0.4
143.08537	0.7
145.10107	1.6
147.08014	0.3
147.11639	0.9
149.09579	0.3
155.08440	0.4
157.10107	1.1
159.08051	0.4
159.11731	1.2
161.09561	0.7
161.13179	0.4
162.25668	0.2
169.10083	0.8
171.07997	0.3
171.11659	1.0
173.09648	0.6
173.13258	0.6
175.11113	0.4
179.10669	0.3
181.10150	0.3
183.11772	0.6
185.09641	0.4
185.13277	0.7
187.11194	0.5
187.14760	0.4
189.12733	0.3
195.11833	0.3
197.13225	0.5
199.14774	0.4
201.12671	0.4
203.10617	0.2
205.12263	0.3
213.12660	0.4
215.14250	0.3
221.13165	0.2
221.15051	0.3
223.14894	0.4
225.16261	0.2
227.14149	0.3
231.13710	0.5
238.44484	0.2
249.14629	0.3
279.09973	0.3
285.07364	0.2
295.13278	0.4
312.09726	0.4
323.12668	0.6
325.21521	0.5
327.12180	0.4
332.12134	0.3
337.14188	0.8
338.14807	0.4
339.12128	0.3
343.22580	0.3
345.13232	0.3
351.23087	0.4
353.13620	0.3
354.14508	0.3
354.93597	0.2
355.15363	0.2
359.14822	0.4
369.16919	1.4
370.17258	0.3
401.19641	2.5
429.27600	0.3
447.28516	0.9
465.30075	1.7
483.23260	1.8
483.30441	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
55.05513	71.7
66.80659	0.5
67.05510	1.4
69.07075	1.1
69.44508	3.1
79.05493	1.8
81.07072	3.8
83.04984	100.0
84.05315	2.0
91.05495	1.2
93.07042	3.6
95.08601	5.1
105.07030	2.9
107.08611	3.6
109.06505	2.4
109.10146	1.3
117.07038	0.5
119.08592	3.2
121.10141	1.9
122.94981	0.5
123.11716	1.0
129.07076	0.6
130.65642	0.5
131.08559	2.4
133.10139	2.1
135.11684	0.8
135.56955	0.6
137.05954	1.0
137.13222	0.6
141.06989	0.6
142.07773	0.6
143.08536	1.3
145.06538	0.8
145.10063	2.9
147.08084	0.6
147.11647	1.1
149.13219	0.6
155.07103	0.9
155.08459	1.2
156.09320	0.7
157.10110	2.2
159.08061	1.6
159.11690	2.0
161.09618	1.4
161.13239	1.9
169.10106	0.7
171.08051	0.8
171.11685	1.7
173.09573	1.3
173.13242	1.5
175.11142	1.0
175.14861	1.2
183.08244	0.6
183.11684	0.8
185.09627	0.8
185.13231	0.8
187.11200	0.8
187.14697	1.0
189.12706	0.7
195.11742	0.7
197.13362	1.2
199.11278	0.8
199.14778	0.7
201.12727	1.9
204.07796	0.8
205.09877	0.6
209.13182	0.8
213.12694	1.1
215.14256	1.1
217.12093	0.6
219.10123	1.2
225.12672	0.5
225.16426	0.6
227.14178	0.6
229.15840	0.9
231.13770	0.6
245.15520	0.6
247.16885	0.7
279.10248	0.5
283.24179	1.1
292.89609	0.6
308.10614	0.7
309.11002	0.6
309.22165	0.6
312.09808	0.7
317.10181	0.7
323.12613	1.2
327.12070	0.8
328.12582	0.6
329.24860	0.7
330.23193	0.8
332.12381	0.9
337.14191	1.2
339.12079	0.6
355.15536	1.0
359.14761	1.3
365.10361	0.9
369.16833	2.0
370.17233	1.1
401.19592	6.8
402.19714	0.7
414.16425	1.1
419.29547	0.8
427.17331	1.3
429.28381	1.1
447.28592	2.3
451.21075	0.7
452.21738	0.8
465.29568	1.0
483.23297	6.0
483.67365	0.5
484.23618	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.0
53.90008	0.2
55.05511	67.9
56.05853	0.8
63.06245	0.2
68.68604	0.2
69.07066	0.3
69.09756	1.3
74.40589	0.2
81.07069	0.3
83.04980	100.0
84.05316	1.5
93.07015	0.2
95.08611	0.6
98.22656	0.4
105.07036	0.3
107.08658	0.2
117.08680	0.2
119.08561	0.2
131.08604	0.2
133.10130	0.2
140.57539	0.2
215.14426	0.2
225.08987	0.2
227.06995	0.2
253.08681	0.3
255.06633	0.2
262.09753	0.2
263.10638	0.2
264.07724	0.3
264.11319	0.2
277.08298	0.3
278.09137	0.2
279.09967	0.6
280.10870	0.2
281.07944	0.4
291.10025	0.2
293.11472	0.4
295.13232	0.4
296.10281	0.3
297.07660	0.2
307.09509	0.6
308.10181	0.3
310.15509	0.2
312.09784	0.2
313.10617	0.3
314.11218	0.3
317.10321	0.3
321.11057	0.6
322.11819	0.7
323.12549	0.4
327.12140	0.6
328.13004	0.2
332.12393	0.4
337.14200	0.8
338.14850	0.3
339.12115	0.7
343.11816	0.3
353.13770	0.9
353.17426	0.3
354.14432	0.5
355.15192	0.3
359.14755	0.6
367.15436	0.4
369.16940	1.6
370.17560	0.8
371.14859	0.3
385.16623	0.9
386.16550	0.3
399.17822	0.3
400.18533	0.3
401.19611	2.3
452.21964	0.3
483.23395	0.8
483.30612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.05513	2.9
57.03436	1.0
65.03949	1.5
67.05508	5.8
69.03428	16.4
69.07046	1.4
71.04992	2.2
75.39465	0.9
79.05497	14.7
81.03424	1.3
81.07057	77.3
81.97419	0.9
82.07376	1.2
83.04982	3.2
83.08642	1.1
85.02947	0.9
91.05483	10.5
93.07041	7.4
95.04967	6.0
95.08616	6.9
97.02904	2.4
97.06532	2.0
103.05445	1.2
105.07028	15.8
107.04974	1.5
107.08600	6.7
108.30084	0.9
109.02912	1.5
109.06514	27.9
109.10149	1.9
111.04486	2.0
111.08077	4.4
113.02370	1.2
115.05444	1.9
117.07031	5.4
119.04952	1.3
119.08585	9.3
121.06509	5.9
121.10142	2.8
123.04426	3.1
123.08080	6.0
125.09652	1.9
128.06207	3.9
129.06985	6.1
130.07813	1.6
131.04938	3.9
131.08565	11.1
133.02834	3.5
133.06490	6.0
133.10133	5.8
135.04440	1.4
135.08054	8.0
135.11763	0.9
137.02370	3.6
137.05975	100.0
138.06342	2.4
139.07515	1.8
141.06975	3.7
142.07770	5.1
143.01877	1.0
143.08589	13.7
145.06474	3.7
145.10103	7.6
146.07225	1.4
147.04384	1.4
147.08000	4.2
147.11710	2.7
149.05968	1.4
149.09641	3.4
151.07524	2.0
153.05482	1.2
153.06969	1.3
153.09100	0.8
154.07782	1.6
155.08533	7.8
156.09319	2.5
157.10124	11.9
158.07288	1.0
159.08044	5.8
159.11707	4.5
160.08826	1.3
161.02977	2.7
161.06020	3.9
161.09616	22.0
161.13266	1.2
163.07538	4.8
163.11205	2.5
165.05473	4.3
165.06833	1.4
165.09149	1.2
166.07710	1.5
167.08563	3.4
168.09308	2.1
169.10123	9.3
171.08057	3.9
171.11720	6.4
172.08876	1.5
173.09535	4.9
173.13251	1.6
174.06741	1.3
175.07576	3.2
175.11174	10.8
177.09180	1.2
178.07799	1.1
179.07051	7.0
179.08566	3.1
180.09300	2.1
181.08609	2.8
181.10141	3.4
182.10887	1.5
183.08136	1.6
183.11694	7.5
184.08733	1.0
185.09579	7.5
185.13255	3.8
187.11157	3.8
188.08328	3.2
189.09102	11.9
189.12769	2.4
191.08621	1.2
191.10550	0.9
192.09308	1.5
193.08560	1.9
193.10187	3.5
195.08087	1.6
195.11696	8.6
197.09642	2.6
197.13275	4.3
198.10423	1.2
199.11188	4.3
199.14894	1.9
200.11830	1.1
201.12737	3.5
202.06021	1.3
203.04115	1.4
203.10680	6.6
203.14314	1.1
205.12228	2.7
206.10799	1.3
207.11700	5.7
207.13541	1.7
209.09607	2.3
209.13319	5.1
211.11179	3.1
211.14862	3.0
213.09387	1.8
213.12733	23.9
215.10759	1.4
215.14299	2.3
216.07808	3.0
217.08575	2.4
219.10182	3.9
221.13344	5.1
222.10403	1.0
223.11226	1.3
223.14799	2.0
225.09209	0.9
225.12784	8.7
227.10664	2.8
227.14281	5.7
229.12262	1.6
229.15672	2.1
231.10135	27.2
232.10460	1.6
233.13313	1.2
237.12672	2.3
238.13460	1.5
239.14337	3.4
241.15906	2.8
243.10104	1.2
243.13745	11.8
249.12711	1.9
251.14371	1.1
253.12250	1.3
255.13876	4.3
256.14627	2.7
257.15430	1.3
261.12659	1.1
263.14346	1.6
265.15955	1.6
267.13776	4.3
269.15359	2.1
273.14801	6.1
283.17172	1.2
285.14853	3.2
297.14877	1.3
301.18158	1.0
325.21573	1.4
333.11130	1.5
363.19705	1.1
375.19431	4.7
377.21008	1.9
387.19507	2.2
393.20590	68.7
394.21133	6.3
401.21542	1.1
403.22873	1.5
405.20657	19.1
406.20883	1.8
407.22177	3.6
409.23819	1.5
419.22256	1.1
421.23651	2.2
423.21616	25.9
424.21857	1.5
429.20831	1.0
435.21457	1.8
447.21677	3.7
447.28348	1.5
453.22745	3.1
465.22864	13.7
465.29959	2.6
483.23758	14.0
483.30789	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.5
53.03950	1.1
55.01870	1.4
55.05508	1.2
57.03436	0.9
59.94512	0.4
65.03944	1.3
67.05505	2.3
68.99787	0.6
69.03427	10.5
69.07065	0.7
71.04990	1.7
77.03953	0.6
79.05494	14.0
81.03415	0.9
81.07059	77.7
82.07376	0.8
83.04978	1.7
85.02908	0.4
85.06557	0.6
91.05480	8.3
93.07047	4.4
95.04974	5.5
95.08614	2.7
96.36502	0.4
97.02905	1.4
97.06537	1.2
98.22610	0.7
103.05486	1.0
105.04500	0.5
105.07032	12.7
107.04984	2.2
107.08585	3.5
109.02849	1.2
109.06522	27.1
109.10142	0.7
111.04468	1.1
111.08105	1.0
115.05469	1.5
115.19536	0.4
116.06167	0.5
117.07040	4.1
119.04957	0.9
119.08596	8.0
121.06514	5.3
121.10162	1.0
123.04447	1.5
123.08074	4.6
125.05988	0.8
128.06230	3.4
129.07002	4.8
130.07800	0.8
131.04941	1.4
131.08566	8.6
133.06496	5.9
133.10132	4.5
135.04417	0.7
135.08044	8.4
137.02412	3.8
137.05978	100.0
138.06267	2.4
139.07451	0.6
141.06996	2.2
142.07782	4.1
143.08559	11.8
144.09282	0.7
145.06483	2.7
145.10115	5.7
146.07289	0.5
146.10477	0.5
147.08035	4.5
147.11690	1.5
149.05980	1.0
149.09621	2.8
151.07568	2.3
153.05466	1.3
153.07019	1.5
154.07739	1.2
155.07166	0.6
155.08540	6.7
156.09346	1.5
157.06500	1.0
157.10123	7.8
159.08057	5.4
159.11667	2.4
160.08823	1.3
161.05998	1.1
161.09624	22.1
162.10213	0.9
163.07559	4.0
163.11218	2.0
165.05484	2.0
165.07028	2.7
165.09106	0.7
166.07796	0.7
167.07065	1.2
167.08580	2.8
168.09267	1.2
169.10117	7.4
170.07356	0.6
171.08031	3.5
171.11708	5.0
172.08752	1.2
173.09639	4.0
173.13254	0.7
174.06767	0.8
174.10585	0.5
175.07535	1.4
175.11189	12.3
177.09198	1.0
179.07048	6.8
179.08580	2.1
180.09424	2.0
181.08592	3.1
181.09868	3.2
182.10939	1.1
183.08098	0.7
183.11685	5.6
185.09628	9.0
185.13245	3.5
187.07629	0.5
187.11200	3.6
188.08344	1.8
189.07330	0.6
189.09111	11.7
189.12735	1.2
191.06958	0.7
191.08566	0.8
191.10616	0.8
192.09328	2.0
193.08833	1.9
193.09901	2.1
194.10904	0.8
195.08102	0.9
195.11691	7.0
196.08878	0.8
197.09604	1.4
197.13275	3.3
198.10413	0.9
199.11203	3.1
199.14847	1.4
200.11781	0.5
201.09113	0.7
201.12752	2.6
203.10660	6.1
203.14224	0.4
205.10219	0.8
205.12239	2.3
206.10968	0.9
207.10030	0.6
207.11714	4.7
207.13800	1.1
208.12341	0.6
209.09827	1.0
209.13281	2.8
211.11177	2.8
211.14809	2.0
212.11752	0.7
213.09148	1.5
213.12741	27.4
214.13033	2.0
215.10657	0.9
215.14348	1.2
216.07784	4.5
217.08464	2.6
217.12111	0.5
218.09244	0.5
219.10052	4.7
221.09723	0.5
221.13297	3.0
223.11218	1.4
223.14793	1.4
225.12747	7.1
227.10789	2.4
227.14313	6.2
228.14920	0.9
229.12312	0.9
229.15897	1.5
231.10153	28.0
232.10503	1.2
233.11650	0.9
234.64304	0.4
235.11139	0.7
235.13168	0.8
237.12820	2.5
238.13463	1.4
239.14285	2.0
241.12283	1.3
241.15977	1.9
243.13817	12.8
244.14357	0.7
247.11147	0.6
247.13368	1.3
249.12740	1.3
250.13350	0.5
250.95934	0.4
251.14310	0.6
255.13821	5.7
256.14508	3.7
257.11487	0.6
257.15280	1.1
259.13321	1.3
259.17007	0.6
261.12744	0.5
263.14221	0.8
265.12079	0.5
265.15857	1.7
267.13867	3.2
269.15298	1.0
271.13129	0.6
273.14865	7.0
277.15775	0.6
279.13712	0.6
281.15421	0.8
283.13519	0.4
283.16968	1.5
285.14871	2.4
287.16470	0.8
291.13708	0.5
301.18127	0.6
309.14966	0.5
313.17505	0.5
375.19553	4.6
387.19467	0.7
389.21216	1.1
393.20599	80.2
394.20944	6.2
405.20612	12.7
406.20920	1.3
407.22186	5.1
408.22589	0.5
409.23941	1.2
417.20496	0.7
421.23492	0.9
423.21582	7.0
435.21683	2.1
447.21454	2.2
453.22644	2.0
465.22690	5.6
483.17450	0.5
483.23636	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2381
Annotation	Nimolicinol
Peak:m/z	Relative Intensity
51.94298	1.1
53.03949	1.9
55.01863	2.2
55.05514	6.3
57.77497	1.0
57.98095	1.1
63.21883	1.0
67.05506	7.0
69.03430	23.7
69.07075	1.7
69.62283	2.2
69.62672	3.4
71.05002	1.3
79.05486	9.5
81.07059	35.3
83.04990	4.9
83.08616	2.1
85.06538	1.4
91.05484	8.1
93.07056	8.7
95.04974	4.5
95.08617	14.2
97.06536	2.3
100.11240	1.8
103.05503	1.5
105.07026	14.0
107.04983	1.5
107.08604	8.8
109.06519	14.1
109.10173	3.4
111.04465	2.0
111.08081	18.7
112.69598	0.9
115.05422	2.0
117.07020	3.9
119.04903	2.1
119.08595	7.5
121.06498	3.8
121.10144	4.4
123.08064	8.7
125.09665	2.1
128.06248	3.6
129.07019	5.3
131.05013	1.7
131.08580	10.0
133.06483	3.8
133.10141	6.1
135.08057	4.2
135.11668	2.0
137.02393	1.3
137.05977	35.7
139.07523	5.5
141.07008	2.8
142.07790	3.4
143.08574	9.4
145.06468	2.2
145.10083	8.4
147.08034	5.8
147.11696	4.0
149.09659	2.8
151.07613	1.9
155.07314	1.5
155.08481	6.1
156.09335	2.2
157.06509	2.5
157.10156	11.1
159.08096	5.4
159.11702	6.6
161.02991	2.6
161.05995	1.9
161.09607	6.0
161.13339	2.0
163.07568	2.7
163.11220	2.2
165.07005	2.6
166.07748	1.2
167.08583	3.1
168.09351	1.2
169.10146	8.0
170.15384	2.2
171.08061	3.2
171.11702	6.8
172.08775	1.3
173.09654	3.9
173.13281	2.3
175.07579	2.8
175.11205	3.2
177.09161	1.6
179.07118	2.2
179.08609	3.1
181.10144	3.5
182.07201	1.5
182.10857	1.5
183.08022	2.8
183.11674	6.0
185.09676	5.2
185.13321	2.4
187.11238	4.9
189.09128	4.6
189.12718	2.2
191.10574	1.2
192.09242	1.4
193.10149	3.5
194.10851	2.4
195.08156	1.5
195.11732	4.4
197.09691	4.0
197.13338	4.2
198.09894	1.2
199.07565	1.3
199.11214	3.7
199.14911	1.6
201.09129	1.3
203.10620	2.1
203.14282	1.3
205.10197	1.3
205.12083	1.5
206.10825	1.9
207.11722	4.5
208.12323	1.8
209.09685	4.0
209.13301	4.7
211.11226	3.2
211.14780	3.1
212.11975	1.2
213.09195	1.8
213.12730	4.4
215.10500	1.7
217.12325	2.2
219.11795	1.4
219.13844	1.4
220.12437	2.0
221.09747	1.8
221.13315	5.9
223.11113	2.8
223.14821	3.9
225.12773	5.5
225.16368	1.3
227.10750	1.8
227.14307	2.7
229.12173	2.3
231.10074	5.6
233.13350	1.9
234.10428	1.6
235.11244	1.9
235.14806	2.5
237.12741	3.2
237.16249	1.3
239.14253	5.2
241.15930	3.4
243.13785	3.2
247.11081	1.7
249.12811	4.4
249.16318	1.4
251.14592	1.3
253.12265	1.7
253.15924	1.6
261.16397	2.0
263.14258	1.7
265.12167	1.4
265.15778	2.3
267.13800	5.1
267.17685	1.4
277.15799	1.8
279.17273	1.5
283.17139	1.3
291.14050	1.6
291.17422	1.8
293.15399	1.3
319.16867	1.5
325.14508	1.5
325.21674	2.6
327.15933	1.3
331.20593	1.4
341.18802	1.5
349.21381	1.5
353.13873	2.3
359.19958	1.8
363.19376	1.3
377.20932	5.4
379.22714	3.5
383.11044	1.4
385.16684	2.6
387.19659	2.8
393.20291	5.7
403.22534	1.2
405.20621	32.9
406.20837	3.3
419.22226	1.7
421.23587	7.8
423.21640	100.0
424.21945	6.7
429.28122	1.7
437.23145	3.0
437.30084	1.1
447.21765	6.6
447.28442	2.4
465.12106	2.6
465.22733	35.0
465.29791	5.9
466.23026	3.6
483.23761	24.9
483.30646	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38913	0.3
52.05175	0.4
55.01878	0.6
55.05534	1.1
67.05531	1.6
69.07108	0.9
71.05051	0.4
71.31027	0.6
79.05522	1.3
80.66514	0.4
81.07042	2.1
83.05018	1.4
88.71131	0.3
88.98087	0.4
91.05512	1.4
93.07059	2.5
95.08608	3.3
97.06567	0.6
99.04473	0.6
105.07047	2.2
107.08582	2.3
109.06501	2.1
109.10194	1.3
111.04501	1.3
111.08124	0.6
117.07029	0.9
119.08574	2.6
121.06577	0.8
121.10167	1.4
123.08100	0.6
123.11753	0.6
129.07048	0.5
131.08594	1.2
133.10104	1.8
135.08052	0.5
135.11729	0.5
137.05997	0.4
139.07579	0.5
141.06953	0.4
142.07816	0.5
143.08546	1.9
145.10109	2.3
147.08078	0.6
147.11723	1.1
149.09671	0.6
155.08568	0.6
156.09407	0.7
157.10216	1.7
159.08109	0.4
159.11716	1.6
161.09705	0.6
161.13322	0.5
167.08615	0.5
168.09271	0.4
169.10196	1.5
171.11714	1.6
172.12096	0.4
173.09659	1.0
173.13287	0.9
175.11227	0.5
177.09073	0.6
181.10095	0.6
182.10945	0.4
183.11745	1.4
185.09703	0.6
185.13312	1.0
185.72910	0.5
187.11214	0.6
187.14868	0.5
191.10635	0.6
194.10690	0.4
195.11658	0.5
196.12271	0.5
197.13312	1.4
199.14810	0.8
201.12901	0.4
207.11670	0.9
209.13258	1.1
211.11147	0.5
211.14827	0.8
212.11845	0.4
222.13965	0.4
223.14839	0.8
225.16373	0.4
227.14420	0.6
227.18121	0.4
233.15422	0.4
235.14847	0.5
237.16379	0.5
243.13885	0.4
247.17072	0.5
251.14268	0.7
259.17035	0.5
269.15115	0.5
311.09265	0.5
325.21606	0.6
327.23264	0.7
329.25186	0.6
333.22546	0.5
367.18802	100.0
368.19125	7.9
407.21854	4.0
423.28674	0.6
425.22888	0.9
429.28036	0.6
447.28787	1.3
453.24539	0.4
465.25906	27.9
466.26251	3.1
483.27087	73.0
484.27533	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78594	2.7
53.03950	3.2
53.23316	3.0
55.05510	36.3
57.03438	4.9
57.07067	11.6
67.05508	19.0
68.95949	3.7
69.07069	18.0
69.37925	18.2
79.05476	7.5
81.07059	22.1
83.04989	26.8
83.08625	12.8
91.05486	9.7
93.07051	22.2
95.08611	36.6
97.06501	7.1
97.10182	8.4
97.97917	2.8
98.98490	4.3
105.07047	20.0
105.07648	3.3
105.48366	2.9
107.08600	21.3
109.06506	6.2
109.10146	15.1
111.04455	3.1
111.08083	5.9
113.05867	3.1
117.07044	6.5
119.08596	29.2
121.10147	11.3
122.45138	3.0
123.08069	10.3
123.11710	4.5
125.09622	3.6
127.52199	2.9
129.07045	4.0
131.08539	14.9
133.10167	15.0
135.08076	4.0
135.11726	7.5
139.07567	4.6
143.08575	14.1
145.10139	20.9
147.07971	4.1
147.11679	12.6
155.08479	6.4
157.10114	19.6
158.95375	3.1
159.11687	18.1
161.09647	7.6
161.13190	4.1
163.14906	3.1
169.10144	4.6
171.06580	6.6
171.11700	11.8
173.09656	3.2
173.13263	14.5
175.11180	5.1
175.14778	6.2
183.11714	8.5
184.12433	3.4
185.13243	10.1
187.11151	6.0
187.14825	7.8
189.12909	3.7
195.11702	6.6
197.13303	7.5
199.14861	14.0
201.16301	4.1
203.14243	3.1
207.11768	3.4
209.13284	7.0
211.14914	7.8
213.16359	6.9
223.14763	4.4
224.15192	3.8
225.16339	3.6
239.14334	4.1
241.15984	4.5
245.15378	3.4
245.40157	3.2
255.21126	4.6
265.19330	4.1
283.20609	4.4
311.25854	25.1
343.11545	4.2
379.11398	4.2
395.14398	3.4
405.27548	7.1
423.28946	100.0
424.29099	8.3
433.92188	3.5
448.29050	12.3
449.30273	4.2
465.29538	7.0
468.00787	3.3
483.23907	6.4
483.29858	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.2
55.05510	84.8
56.05849	22.8
59.30986	3.3
65.85724	2.9
67.05510	10.7
68.98453	2.6
69.07053	10.7
71.73987	3.5
78.20643	2.7
79.05530	3.5
81.07050	13.0
83.04978	61.6
83.08630	7.1
84.05314	17.4
85.05380	4.8
91.05459	9.6
93.07044	15.6
95.04979	4.9
95.08609	17.6
96.08944	9.5
97.02905	6.2
98.22845	28.9
98.98395	2.9
105.07034	14.8
107.08581	9.5
108.08952	4.6
109.06538	3.5
109.10194	6.6
111.04471	3.6
111.08048	4.7
117.07043	3.8
119.08573	13.3
120.08920	4.0
121.06499	3.0
121.10145	9.5
123.08031	4.9
131.08569	7.4
133.10132	11.3
134.10558	3.2
135.07970	3.3
142.07764	4.0
143.08531	10.4
145.10106	13.2
147.08112	3.7
155.00864	3.0
155.08542	8.6
157.10112	14.9
159.11751	7.4
161.09666	4.0
167.08484	3.2
169.10110	11.0
170.10464	4.4
171.11624	9.5
172.12093	4.7
173.09702	3.1
173.13303	4.0
179.08522	2.8
181.10130	4.7
183.11678	6.8
184.12106	5.1
185.13191	5.8
194.10793	4.9
195.11691	5.0
197.13174	4.7
198.13608	5.1
199.14960	3.1
207.11526	5.7
208.12248	7.1
209.13123	10.8
213.16335	3.7
221.13158	4.1
221.68504	2.8
222.13542	4.1
223.14613	3.4
225.16086	3.1
233.09248	4.0
239.17537	3.2
248.08073	6.5
249.08638	5.9
250.09099	8.0
251.09799	3.3
253.14999	3.7
263.06808	5.4
264.10834	4.4
265.07874	5.3
265.11316	5.2
268.14117	3.3
275.10010	3.3
276.07416	4.5
277.07956	6.5
278.08783	6.2
278.16101	3.5
279.09525	5.6
280.10370	3.6
281.10944	4.0
290.09158	3.1
291.06442	4.3
291.09772	6.8
292.07007	3.5
292.10172	7.4
293.07623	4.5
293.10840	8.4
294.08127	5.7
295.08490	3.5
305.07700	4.9
306.08313	8.4
307.08978	8.0
308.09772	5.3
309.10385	7.2
311.26025	17.8
318.08249	4.7
319.09213	4.2
320.09802	8.7
321.07126	6.2
321.10422	7.3
322.07410	8.5
322.11060	4.1
323.11780	5.2
325.21091	7.2
334.08023	6.8
335.08963	18.2
336.09198	30.8
337.09705	30.4
343.11865	4.5
349.10532	5.5
350.11115	21.5
351.11548	51.4
352.12183	46.8
353.08987	5.0
353.12878	14.8
363.22800	3.2
368.11511	5.7
381.13455	15.9
382.13623	38.8
383.13931	100.0
384.13968	5.9
405.26978	9.1
419.28683	5.4
423.28616	9.1
445.27039	3.7
447.28506	16.3
465.29306	45.4
483.19016	5.7
483.30710	26.9
507.28711	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2743
Annotation	Strychnofoline
Peak:m/z	Relative Intensity
55.05511	13.1
57.03443	1.7
67.05504	15.9
69.03424	3.6
69.07072	8.3
70.24512	1.1
71.04973	1.4
71.30876	1.6
73.16765	1.2
79.05491	8.8
81.03429	7.6
81.03840	1.5
81.07056	12.3
83.04980	22.9
83.08620	2.1
85.02882	1.3
88.81684	1.3
91.05472	15.6
93.07040	23.9
95.04959	5.7
95.08607	32.3
97.02935	1.5
97.06577	2.3
99.04446	3.1
105.04482	1.5
105.07030	19.1
107.04984	1.3
107.08603	18.4
109.06523	14.9
109.10157	6.3
111.04449	11.9
111.08091	10.5
115.05476	1.9
117.07019	6.2
119.08585	28.9
120.08924	1.4
121.06537	7.1
121.10138	9.4
123.08064	8.2
123.11687	1.6
128.06212	4.4
129.06989	5.5
130.07722	2.2
131.08560	14.2
133.06485	1.8
133.10130	19.8
135.08058	4.1
135.11687	3.6
137.05962	5.0
137.09618	1.8
139.07558	6.7
141.06966	3.0
141.09091	2.3
142.07840	7.3
143.08551	10.7
144.09323	2.6
144.41109	1.2
145.06456	3.2
145.10129	17.0
147.07030	1.3
147.08009	7.4
147.11687	9.4
148.12051	1.3
149.09599	3.3
149.13316	1.5
153.06906	1.6
154.07697	1.8
155.07036	6.3
155.08551	12.3
156.09300	4.8
157.10138	22.4
158.07191	2.2
159.08057	5.7
159.11687	15.5
161.09590	7.6
161.13271	5.5
163.11240	2.6
165.06989	2.8
165.09116	2.3
166.07761	1.8
167.08553	5.0
168.09230	1.7
169.10106	12.1
170.07230	1.4
170.10799	3.0
171.08029	5.6
171.11693	13.2
172.08858	1.4
173.09624	9.2
173.13252	5.4
175.07611	1.7
175.11246	6.5
177.09123	2.8
178.07770	1.4
179.08568	5.2
179.10696	1.5
180.09309	3.4
181.06505	1.4
181.10094	8.3
182.10876	2.8
183.08038	2.4
183.11713	12.0
185.09618	19.2
185.13255	9.2
187.11151	4.1
187.14738	2.0
189.09128	1.6
189.12744	2.4
191.10654	3.2
192.09308	3.2
193.10129	6.8
194.10901	3.7
195.08086	1.7
195.11673	11.1
196.12408	2.4
197.09573	3.2
197.13234	10.6
199.11148	6.1
199.14842	4.5
201.09123	2.2
201.12708	3.6
201.16330	1.3
203.08659	2.6
203.10667	8.4
203.14400	1.7
204.09311	1.7
205.10144	3.6
205.12245	2.2
206.10883	4.1
207.11710	11.4
208.08847	2.0
208.12321	2.5
209.09676	3.2
209.13260	11.7
210.10309	3.1
210.13829	1.5
211.11186	6.1
211.14780	6.1
213.12738	4.3
213.16383	2.0
215.14334	3.4
216.09306	1.5
217.10109	4.4
217.12173	1.5
218.10912	2.4
219.11685	7.9
219.13634	2.1
220.12419	2.6
221.09673	2.1
221.13261	7.8
222.10385	2.2
223.11244	8.0
223.14778	5.0
224.11876	2.5
225.12767	10.0
227.14268	5.0
229.12242	1.4
230.10884	2.9
231.11673	4.3
232.12450	3.5
233.09662	1.5
233.13193	7.7
233.15401	4.0
234.10446	1.8
234.14066	2.7
235.11153	4.6
235.14890	6.1
236.11984	2.1
237.12779	7.7
239.14252	4.6
241.12225	2.3
241.15836	1.5
243.13812	1.7
245.13179	3.8
245.15363	5.4
246.13960	4.4
247.11125	2.0
247.14786	6.8
247.16995	1.9
248.12000	1.9
249.12648	4.9
249.16321	4.4
251.14204	4.4
251.17770	1.4
253.12247	2.6
253.15759	2.0
255.13869	2.5
257.13144	2.5
257.15546	2.9
258.13947	1.7
259.11191	3.1
259.14807	3.3
260.12012	2.2
260.15475	2.4
261.12772	4.0
261.16391	7.6
262.13528	2.1
262.17056	1.6
263.14322	7.0
263.17892	3.6
265.12299	2.5
265.15823	3.6
267.13828	1.9
267.17465	1.6
269.18707	1.4
271.16992	1.7
272.15683	1.6
273.12766	4.0
273.16312	3.7
274.13504	4.2
275.14288	6.3
275.17029	1.3
277.15784	3.8
279.17261	3.0
281.15237	1.8
285.18723	1.4
287.14362	2.3
287.17624	2.5
288.15042	3.0
289.15796	8.1
289.19266	2.6
290.16537	3.8
291.14172	1.8
291.17426	4.1
291.20831	2.2
293.15460	1.5
295.17114	1.7
300.15103	2.2
301.15906	3.6
303.17447	2.6
304.18222	2.2
305.15439	1.8
305.18829	1.7
307.16971	5.1
307.20438	2.4
309.18518	3.3
309.21967	2.0
315.17447	7.8
317.18915	2.4
319.16870	1.8
319.20477	3.1
325.18118	3.1
327.23114	1.9
329.24545	2.8
330.19717	5.6
333.18396	4.3
335.20026	2.3
343.19086	2.5
345.18723	1.4
348.20679	1.9
383.11115	3.0
387.23209	2.3
401.24536	6.8
403.26450	10.7
404.26868	2.3
411.23117	5.7
419.25699	3.9
429.24182	100.0
430.24579	12.6
447.25107	86.2
447.45734	1.9
448.25674	9.6
465.26300	9.7
465.30493	4.7
483.26776	40.0
484.27686	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.274
Annotation	Alectinib
Peak:m/z	Relative Intensity
53.03939	2.9
55.05516	19.9
57.41362	1.3
64.42628	1.3
65.03943	1.5
67.05510	11.6
69.03422	1.9
69.07071	2.6
69.32377	6.2
71.05012	1.6
79.05492	7.7
80.72285	1.2
81.07052	10.0
83.04979	25.5
83.08617	1.3
91.05479	13.5
93.07042	20.9
95.04980	5.0
95.08611	26.9
97.06561	2.8
98.23297	2.9
99.04444	2.1
105.07035	15.5
107.08594	11.9
109.06528	5.0
109.10172	4.8
111.04473	4.1
111.08099	5.3
115.05480	1.6
117.07047	3.6
119.04939	2.9
119.08590	13.6
121.06512	9.3
121.10159	4.9
123.08066	6.3
128.06253	4.0
129.07042	6.1
131.08582	8.9
133.06497	2.3
133.10115	9.3
135.04468	1.9
135.08087	6.6
135.08977	1.3
135.11745	1.9
137.05959	3.0
139.07581	3.8
141.07056	3.0
141.09132	1.6
142.07809	5.7
143.08540	12.5
144.09335	1.6
145.06482	3.4
145.10129	13.3
147.08087	4.4
147.11726	4.5
153.07039	1.9
155.08575	9.5
156.09348	3.7
157.06488	1.7
157.10126	11.4
159.08099	5.2
159.11719	9.1
160.08804	1.3
161.09612	8.5
161.13281	3.5
162.25185	1.3
163.07680	2.5
163.11203	1.9
165.07027	5.1
166.07858	1.7
167.08557	3.3
168.09267	2.7
169.10109	9.1
171.08060	9.5
171.11716	6.0
173.09563	6.5
173.13206	2.7
175.11227	4.5
178.07782	2.7
179.08539	7.4
180.09357	2.4
181.10100	9.3
182.11043	1.8
183.08101	2.4
183.11775	5.4
184.12581	1.6
185.09602	7.1
185.13301	3.6
187.07581	2.9
187.11246	3.2
189.09071	1.5
189.12807	2.1
191.08629	2.1
192.09314	3.5
193.10185	7.4
193.12068	1.6
194.10915	3.5
195.08125	4.7
195.11746	12.2
196.08894	2.2
196.12422	2.8
197.09677	1.9
197.13240	6.4
199.11191	3.2
199.14838	1.9
201.09169	2.9
201.12830	2.4
203.08591	2.4
203.10619	1.8
205.10161	5.0
206.11003	2.9
207.11700	13.5
208.08977	4.1
208.12387	2.9
209.09682	4.0
209.13232	6.7
210.10382	3.1
211.11125	3.4
211.14751	2.3
213.09181	2.8
213.12788	3.8
217.10141	2.0
218.10890	2.0
219.11748	9.3
220.12424	2.6
221.09633	3.6
221.13217	7.5
222.10458	3.4
222.13998	2.4
223.11224	9.1
223.14882	4.6
224.11789	1.6
225.12743	8.0
227.10625	1.5
227.14365	3.7
231.11725	4.4
232.12459	3.9
233.09682	2.4
233.13226	5.2
235.11157	8.9
235.14905	3.3
236.11980	2.4
237.09138	1.7
237.12802	5.5
237.16393	3.3
238.09868	1.8
239.10753	3.6
239.14409	3.7
241.12363	5.7
241.15999	2.4
245.13333	3.7
246.14169	4.4
247.11340	1.5
247.14844	8.8
248.11830	1.5
248.15457	2.1
249.12816	4.0
249.16519	2.7
250.13481	2.8
251.10774	5.1
251.14429	3.1
251.17987	2.0
253.12244	15.9
253.15977	1.6
255.13762	1.5
259.11203	2.2
259.14899	1.8
260.12051	3.8
261.12817	3.9
261.16373	6.6
262.13483	2.0
263.14331	3.8
263.17957	4.6
265.12332	3.0
265.15784	2.8
267.13879	6.0
273.12793	2.3
274.13574	3.8
275.14206	9.4
277.09198	1.7
277.12476	2.2
277.15909	2.8
279.13806	3.4
279.17517	4.4
289.15915	9.0
290.16507	2.9
291.13953	2.5
291.17407	3.1
292.14978	1.5
293.15439	3.3
293.18832	1.5
305.15479	3.7
305.18814	2.0
306.16391	1.9
307.16873	13.7
309.18521	3.0
315.17404	1.8
319.17001	1.9
325.17795	2.4
333.18512	7.7
348.20865	4.3
387.23331	3.2
389.21237	5.0
401.24759	7.3
403.26230	8.0
405.24243	4.3
411.22885	3.4
414.16663	2.0
419.25470	6.4
427.17615	1.7
429.24219	44.8
430.24756	5.2
447.25275	100.0
448.25751	9.5
465.26086	14.1
483.27509	73.7
484.27835	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35149	0.8
51.02373	1.2
53.03936	1.6
54.41223	1.0
55.01867	0.9
55.05505	5.1
59.04975	1.1
60.12835	0.8
67.05499	8.6
69.03417	3.3
69.07061	3.6
69.34831	6.8
69.35166	1.2
79.05501	4.1
79.71917	0.8
81.07060	7.2
83.04982	9.9
83.08611	1.2
83.32245	0.7
85.06510	1.2
91.05487	14.8
93.07036	16.0
94.07336	1.1
95.04960	3.8
95.08033	1.6
95.08603	16.8
97.06528	2.7
103.05473	1.4
105.07027	16.5
107.04963	1.0
107.08591	13.2
109.06509	2.3
109.10146	4.5
111.04445	6.0
111.08051	5.6
113.05966	0.9
115.05455	1.1
117.07011	5.9
119.04904	1.2
119.08589	17.7
120.80545	0.8
121.06508	6.1
121.10133	6.5
123.08071	4.9
123.11665	1.1
125.05999	1.3
125.09628	1.1
128.06226	3.1
129.07016	5.2
130.07822	1.2
131.08574	10.3
133.06471	2.6
133.10124	13.6
135.08089	4.6
135.11687	1.8
137.09637	1.0
139.07550	3.8
141.06966	2.7
142.07788	4.9
143.08559	12.2
144.09334	2.1
145.06450	2.7
145.10114	12.8
146.10876	1.1
147.08018	4.7
147.11682	5.5
149.09613	2.0
149.13303	1.1
154.07784	1.1
155.08560	8.0
156.09308	3.2
157.06519	1.3
157.10130	15.5
159.08057	4.8
159.11717	9.2
161.09637	7.4
161.13243	4.0
163.07506	1.3
163.11264	1.2
165.07008	2.4
167.08487	3.3
168.09299	1.7
169.10146	7.9
170.10887	1.5
171.08072	2.8
171.11705	9.6
172.08876	1.0
173.09618	5.4
173.13246	3.5
175.11160	5.1
177.09119	1.3
179.08577	2.0
180.09218	1.7
181.10170	5.0
182.10942	1.9
183.08040	2.4
183.11688	7.5
184.12390	1.2
185.09616	6.8
185.13220	5.4
187.07549	3.3
187.11131	6.4
187.14767	1.4
189.09003	1.4
189.12711	3.3
191.08609	1.0
192.09366	1.8
193.10129	4.2
194.10893	3.1
195.08023	2.2
195.11684	7.6
196.08835	1.1
196.12411	1.9
197.09621	3.1
197.13271	5.8
198.10341	1.6
199.07501	1.4
199.11179	3.5
199.14876	2.7
201.09140	1.6
201.12747	3.2
203.08800	1.6
203.10660	5.1
204.09230	0.9
205.10085	2.9
205.12181	1.8
206.10851	2.4
207.11667	5.7
208.08798	2.0
208.12338	1.7
209.09586	3.7
209.13239	6.0
210.10364	2.8
211.07587	1.4
211.11179	5.2
211.14815	4.0
213.09090	2.1
213.12738	4.2
213.16379	1.6
215.10681	2.4
216.09300	0.8
217.10153	2.0
217.12216	1.8
218.10898	1.5
219.11650	3.0
220.12541	1.6
221.09665	1.3
221.13173	4.8
222.10454	1.9
222.13840	1.0
223.11220	6.0
223.14807	3.9
225.09071	1.7
225.12703	11.0
225.16281	1.0
227.10718	6.0
227.14253	3.1
229.10056	1.1
229.12158	2.3
231.11609	2.1
231.13750	1.8
233.13188	3.0
233.51283	0.8
234.14050	1.5
235.11137	2.1
235.14775	3.2
236.11974	1.8
237.09076	1.4
237.12697	4.7
237.16393	2.7
238.09760	1.7
239.10660	2.3
239.14331	2.5
239.17780	1.3
241.12253	3.6
241.15819	1.2
243.13829	1.1
244.12486	1.1
245.13260	3.3
245.15482	2.0
246.14030	2.3
247.14842	3.1
248.15541	1.4
249.12666	2.8
249.16324	2.6
251.10597	1.0
251.14345	2.2
253.12268	12.3
253.14960	1.1
253.15858	1.0
254.12746	1.0
255.13753	2.3
257.13239	0.9
258.13889	1.2
259.11115	0.9
259.14853	1.8
261.12866	1.1
261.16318	2.1
262.13626	1.3
263.10602	1.7
263.14154	2.1
263.17935	1.6
264.11542	1.1
265.12125	1.8
265.15982	1.4
265.19302	1.0
267.13812	2.4
267.16940	1.0
271.14624	1.0
273.12674	2.0
273.16333	1.9
274.13409	1.6
275.14288	2.1
275.18234	0.9
277.12177	1.0
277.15842	2.2
277.19656	1.1
279.13818	2.3
279.17456	2.8
279.20746	0.9
287.17764	1.3
288.14789	1.5
289.15860	2.5
289.19427	2.3
290.16275	1.0
291.14029	1.5
291.17477	1.7
293.15442	2.7
295.16882	1.6
297.18668	1.4
299.14185	1.8
301.15912	1.3
303.17581	1.0
305.15329	2.7
305.18875	1.9
306.16150	1.3
307.16898	4.2
307.20502	2.5
309.18494	1.4
315.17358	2.5
319.20328	1.0
321.18561	1.3
325.18060	1.5
325.21588	1.1
327.23318	1.2
329.18726	1.2
330.19696	1.8
333.18463	4.9
335.20065	1.6
337.21509	1.8
341.18994	1.1
343.11829	1.3
343.20621	1.0
347.20074	1.8
348.20596	2.1
359.20370	1.0
371.19839	1.2
383.23627	2.6
387.23212	1.7
401.24707	4.6
403.26254	2.4
405.24347	1.9
407.22147	6.7
411.23117	3.9
419.25562	4.6
429.24173	31.5
430.24530	3.8
437.30484	1.3
447.25275	100.0
448.25653	11.2
465.25961	3.3
465.30872	1.8
478.65714	1.0
483.31717	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2722
Annotation	Strychnofoline
Peak:m/z	Relative Intensity
50.38913	0.3
52.05175	0.4
55.01878	0.6
55.05534	1.1
67.05531	1.6
69.07108	0.9
71.05051	0.4
71.31027	0.6
79.05522	1.3
80.66514	0.4
81.07042	2.1
83.05018	1.4
88.71131	0.3
88.98087	0.4
91.05512	1.4
93.07059	2.5
95.08608	3.3
97.06567	0.6
99.04473	0.6
105.07047	2.2
107.08582	2.3
109.06501	2.1
109.10194	1.3
111.04501	1.3
111.08124	0.6
117.07029	0.9
119.08574	2.6
121.06577	0.8
121.10167	1.4
123.08100	0.6
123.11753	0.6
129.07048	0.5
131.08594	1.2
133.10104	1.8
135.08052	0.5
135.11729	0.5
137.05997	0.4
139.07579	0.5
141.06953	0.4
142.07816	0.5
143.08546	1.9
145.10109	2.3
147.08078	0.6
147.11723	1.1
149.09671	0.6
155.08568	0.6
156.09407	0.7
157.10216	1.7
159.08109	0.4
159.11716	1.6
161.09705	0.6
161.13322	0.5
167.08615	0.5
168.09271	0.4
169.10196	1.5
171.11714	1.6
172.12096	0.4
173.09659	1.0
173.13287	0.9
175.11227	0.5
177.09073	0.6
181.10095	0.6
182.10945	0.4
183.11745	1.4
185.09703	0.6
185.13312	1.0
185.72910	0.5
187.11214	0.6
187.14868	0.5
191.10635	0.6
194.10690	0.4
195.11658	0.5
196.12271	0.5
197.13312	1.4
199.14810	0.8
201.12901	0.4
207.11670	0.9
209.13258	1.1
211.11147	0.5
211.14827	0.8
212.11845	0.4
222.13965	0.4
223.14839	0.8
225.16373	0.4
227.14420	0.6
227.18121	0.4
233.15422	0.4
235.14847	0.5
237.16379	0.5
243.13885	0.4
247.17072	0.5
251.14268	0.7
259.17035	0.5
269.15115	0.5
311.09265	0.5
325.21606	0.6
327.23264	0.7
329.25186	0.6
333.22546	0.5
367.18802	100.0
368.19125	7.9
407.21854	4.0
423.28674	0.6
425.22888	0.9
429.28036	0.6
447.28787	1.3
453.24539	0.4
465.25906	27.9
466.26251	3.1
483.27087	73.0
484.27533	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3082
Annotation	Kuguacin F
Peak:m/z	Relative Intensity
55.05506	3.5
57.07065	4.4
65.93349	1.3
67.05497	2.4
71.08622	3.3
79.05495	2.6
81.07050	3.4
81.33687	1.4
83.04974	3.6
83.08586	1.6
85.10174	2.4
89.06036	6.8
91.05494	2.4
93.07044	5.1
94.07363	1.2
95.08604	6.1
98.20248	1.2
105.07036	3.7
107.08590	4.8
109.10159	2.4
111.08040	1.4
117.07030	1.3
119.08572	4.8
121.10148	2.2
131.08528	2.2
132.08853	1.4
133.08582	3.1
133.10121	2.0
135.08072	1.4
143.08540	2.7
145.10080	2.4
149.09560	1.3
155.08543	1.8
157.10109	2.9
159.11688	2.0
161.09564	1.5
169.10085	2.0
170.10555	1.8
173.09604	1.8
173.13304	2.0
177.11203	1.5
182.10611	1.5
183.11763	2.5
185.13263	1.8
187.03676	39.6
195.11720	1.7
196.12193	2.0
197.13150	2.1
221.13304	1.9
223.14810	2.1
228.06227	1.6
255.16490	1.4
283.17361	1.8
284.17499	1.8
285.18231	1.5
305.83600	1.4
308.20908	1.5
319.26080	100.0
320.26382	3.7
326.22018	1.7
342.30768	3.8
411.14145	1.5
430.28271	4.2
448.29208	4.9
466.30347	20.8
483.24533	2.8
483.30746	69.4
484.31155	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63698	5.9
53.03959	6.6
55.01867	9.7
55.05511	79.6
57.03434	6.0
64.79326	7.2
64.91877	5.6
67.05514	51.5
69.03453	6.4
69.07068	29.3
70.57521	14.2
71.05000	9.4
79.05489	29.3
81.07054	57.7
83.04982	72.9
83.08629	7.0
85.06550	12.5
91.05495	48.7
93.07040	70.8
94.07379	6.3
95.04973	21.2
95.08615	100.0
96.08963	8.1
97.06525	14.5
99.04464	13.8
105.07029	73.6
106.07388	6.7
107.08602	78.4
109.06520	69.4
109.10175	32.5
111.04456	23.5
111.08090	25.4
117.07035	21.6
119.08576	74.9
121.06542	9.7
121.10143	48.5
123.08087	33.1
123.11642	7.9
125.09663	7.1
126.09996	6.5
127.07548	6.1
128.06271	7.3
129.07024	23.9
131.08591	48.7
133.06473	10.3
133.10130	60.0
135.08060	20.6
135.11720	23.6
137.06009	18.3
137.09674	7.9
138.36139	6.3
139.07555	12.8
142.07808	15.7
143.08592	49.7
144.09341	6.3
145.10126	66.3
147.08096	16.8
147.11694	35.5
149.09639	12.4
155.07027	23.3
155.08569	28.9
156.09323	12.8
157.10144	58.0
158.10619	6.6
159.08064	14.0
159.11690	53.5
161.09627	26.2
161.13292	16.4
163.11154	21.4
167.08521	12.8
168.09396	9.0
169.10118	47.7
170.10863	7.3
171.08081	16.3
171.11697	49.4
173.09683	20.5
173.13263	31.1
175.11247	20.1
175.14806	10.9
177.12700	9.1
179.08580	23.3
181.10114	29.5
181.12236	7.6
182.10915	17.5
183.08105	10.2
183.11710	39.9
184.12370	10.9
185.09639	14.6
185.13330	37.1
187.11203	18.7
187.14862	15.3
189.12749	20.3
191.10649	9.9
193.10207	13.4
193.12274	8.5
195.11739	14.4
196.12260	11.1
197.09723	15.0
197.13234	35.9
198.13843	6.6
199.11142	14.4
199.14859	14.1
201.12776	18.1
206.10928	9.2
207.11740	16.8
209.09830	7.0
209.13309	23.1
210.06769	19.1
211.11143	13.1
211.14793	27.6
213.12759	21.0
215.10757	8.7
215.14363	13.6
217.12091	11.9
219.11829	8.4
221.13351	16.0
222.13885	6.7
223.11133	7.1
223.14798	24.9
225.09138	28.0
225.12718	14.2
225.16338	13.9
227.10760	7.5
227.14250	22.1
227.17819	7.7
229.15886	10.1
229.73801	6.2
231.13857	7.8
233.15331	8.6
235.14806	14.0
237.12778	16.6
237.16399	12.0
239.07039	7.3
239.14204	12.1
240.07791	8.0
241.12263	7.9
241.15872	7.6
243.13768	7.9
245.15453	17.8
247.14699	7.4
247.16969	14.0
249.16415	10.1
251.14342	13.3
251.17955	10.4
253.08615	11.2
253.12170	8.8
255.17470	11.7
259.16904	8.8
265.15820	11.9
265.19531	7.4
268.07205	11.6
269.08072	11.8
269.15573	6.8
271.16827	6.8
273.18683	13.2
279.17365	9.2
281.18964	8.7
283.09796	11.5
283.17084	11.6
291.17487	10.2
293.15259	10.8
297.18381	11.4
307.16998	12.8
307.20499	11.0
311.09161	41.8
312.09790	14.4
313.10641	17.3
325.21570	16.2
329.24786	12.1
339.52661	8.0
343.11746	72.8
367.18649	14.7
407.21838	12.0
419.29663	9.9
429.23599	10.9
429.28656	10.3
437.30405	9.2
447.23938	46.6
447.29443	26.0
465.25330	17.3
465.29861	45.1
466.30380	13.0
478.30066	7.6
483.30792	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08871	4.7
53.03946	12.8
54.87410	3.8
55.01873	12.4
55.05516	53.0
57.03438	8.8
59.04987	10.3
61.02903	5.7
67.05507	40.1
69.03439	22.4
69.07059	29.9
69.99347	13.7
69.99689	3.7
70.13192	3.6
71.08599	4.9
73.02915	14.4
76.45769	4.3
79.05492	24.0
81.07057	75.7
82.07427	4.0
83.04991	23.2
83.08615	9.9
85.02909	11.7
85.06544	23.0
91.05477	46.2
92.27522	4.3
93.07050	65.2
95.04979	17.4
95.08611	81.4
97.02883	17.1
97.06550	11.6
97.10164	7.8
99.04475	8.0
101.06013	23.7
105.07030	77.0
106.07369	5.5
107.08598	59.7
109.06505	33.0
109.10173	38.6
111.04443	10.4
111.08098	9.4
111.11645	4.4
113.06013	8.6
113.09629	4.3
115.03949	11.6
115.05445	8.8
117.07007	24.3
119.08584	60.2
120.08944	4.4
121.06475	15.9
121.10154	30.9
123.08083	17.8
123.11692	13.0
128.06224	11.9
129.05516	6.2
129.07031	27.3
131.08572	46.1
133.05013	4.6
133.06458	9.4
133.10141	54.3
134.10466	8.5
135.08061	17.0
135.11693	16.0
137.06009	33.7
138.06371	6.7
139.07565	10.0
141.07007	15.2
141.09085	12.1
142.07764	15.5
143.08548	44.0
144.09192	4.2
145.05005	5.5
145.06509	15.9
145.10124	58.2
147.08054	33.7
147.11667	34.0
148.08418	11.8
149.09669	10.5
149.13307	7.9
151.07590	7.1
151.11209	5.7
153.05467	7.7
153.07011	5.7
153.12801	10.3
155.08583	28.2
156.09363	10.2
157.06461	7.2
157.10100	56.6
158.10645	5.5
159.08038	14.1
159.11705	37.1
161.05959	5.8
161.09613	43.9
161.13249	20.3
162.09950	9.0
163.07497	5.9
163.11191	7.9
165.06917	7.1
165.09163	9.4
166.07843	5.3
167.07167	5.2
167.08548	9.1
169.10129	35.5
170.10722	10.0
171.08078	14.7
171.11681	42.2
172.08571	4.7
172.11867	4.5
172.14114	5.2
173.09619	17.2
173.13264	25.4
175.07552	15.6
175.11176	49.9
177.09196	6.0
178.99603	4.8
179.08612	8.8
179.10606	7.2
181.10120	18.6
182.10812	9.7
183.08087	8.1
183.11714	30.8
185.09619	11.2
185.13307	21.9
186.13565	5.3
187.11229	13.9
187.14835	22.0
189.09116	9.1
189.12698	5.9
189.16403	6.6
191.10742	7.4
193.10135	10.1
195.08125	5.8
195.11755	21.7
197.09644	8.7
197.13301	21.0
199.11176	13.4
199.14891	18.2
201.09108	9.0
201.12700	11.2
203.10619	23.0
205.12311	6.7
206.10921	5.2
207.10016	25.2
207.11554	7.9
207.11925	8.5
207.13829	4.7
208.10478	24.5
209.10782	14.0
209.13310	15.1
211.11128	9.4
211.14787	13.7
213.09135	5.5
213.12752	12.8
213.16298	5.8
215.10767	5.9
215.14421	5.8
217.12250	15.2
221.13260	13.6
223.11186	4.8
223.14845	19.6
225.12686	7.2
225.16399	8.2
227.10686	7.1
227.14365	6.9
228.14728	6.1
229.12189	12.6
231.13786	13.1
233.15204	7.9
235.11151	7.5
235.14772	9.1
237.12740	9.5
237.16364	9.3
239.14336	7.4
239.17995	6.2
241.12198	7.3
241.19545	11.7
245.15549	6.0
249.16251	6.7
251.14258	7.1
253.15865	8.0
255.13724	9.8
257.15417	8.8
263.14325	8.5
263.17862	6.7
265.15872	10.8
265.19507	7.1
267.13843	7.7
269.15390	15.0
269.22458	5.2
271.17145	4.7
277.16022	5.1
277.19534	7.9
279.17313	7.9
279.20981	13.8
281.18732	5.1
283.16913	6.5
289.19452	5.7
293.19049	6.3
297.18503	4.7
305.18896	4.7
307.20468	15.6
308.17453	5.6
309.18729	5.0
319.24136	4.8
323.20026	19.9
324.20425	5.8
325.21637	100.0
326.21732	10.8
355.26389	5.8
400.89426	4.4
407.22061	16.3
419.29514	5.3
423.24493	54.2
429.28171	8.6
437.19360	11.5
441.22552	5.3
447.28882	24.7
455.24677	10.5
465.18814	4.9
465.24423	6.4
465.30115	38.4
483.19724	14.7
483.24405	17.1
483.31265	46.1
484.31183	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.311
Annotation	Coronalolide
Peak:m/z	Relative Intensity
52.63460	2.7
53.03947	5.2
55.01886	4.4
55.05511	73.4
57.07085	5.0
59.04995	3.9
65.03954	3.4
67.05508	32.6
69.03440	13.6
69.07069	15.9
71.05000	4.1
76.12565	3.0
77.94204	3.1
79.05485	20.8
81.07056	31.0
83.04980	100.0
83.05460	5.7
83.08638	3.5
88.51688	3.0
89.70194	2.8
91.05483	28.1
93.07042	41.6
93.76194	3.6
94.14035	3.2
95.04983	13.4
95.08607	66.4
96.08990	4.1
97.06536	9.2
98.47899	3.0
99.04458	4.9
99.09353	3.4
104.06271	3.3
105.07038	43.9
106.07397	3.4
107.08612	39.7
109.06537	12.6
109.10164	22.8
111.04452	14.8
111.08107	16.3
115.05501	5.7
116.54097	3.1
117.07034	10.2
119.04985	6.3
119.08572	51.3
120.08923	3.8
121.06496	15.5
121.10143	29.9
122.06796	3.2
123.08064	23.9
123.11718	4.9
125.05980	5.2
125.09621	5.6
127.04002	2.8
128.06258	4.6
129.07034	13.2
131.04933	3.5
131.08595	28.4
133.06535	5.2
133.10115	30.3
135.08070	12.2
135.11659	14.5
137.05988	5.9
137.09627	6.4
139.07547	12.6
141.05582	3.9
141.07043	5.6
141.09137	8.7
142.07817	11.6
143.08578	30.8
144.08998	4.9
145.10127	47.2
146.10783	3.1
147.08073	13.4
147.11700	21.5
149.09659	9.3
149.13255	3.4
153.06912	4.3
154.07837	3.2
155.08551	26.7
156.09311	6.8
157.10132	55.7
158.10744	6.5
159.08026	9.2
159.11681	35.0
160.08833	3.4
161.09637	21.5
161.13280	10.8
163.07500	4.2
163.11255	7.7
163.14880	3.5
165.06982	7.0
165.09129	4.2
166.07747	4.0
167.08533	10.0
168.09346	6.4
169.10146	32.6
170.10841	10.3
171.08083	6.6
171.11720	34.8
172.08798	3.3
173.09651	14.4
173.13283	14.6
175.07611	3.3
175.11241	16.0
175.48225	3.6
179.08565	9.3
179.10712	5.1
180.09370	7.7
181.08698	5.7
181.10141	20.1
182.10956	8.7
183.08144	4.6
183.11685	32.4
184.12379	5.1
185.09625	10.6
185.13280	18.9
187.07526	3.8
187.11162	16.4
187.14828	7.5
189.09090	4.2
189.12779	9.3
191.08560	3.1
192.09283	6.6
193.10133	12.3
194.10857	7.2
195.08109	4.5
195.11717	24.5
196.12466	8.2
197.09651	6.4
197.13286	24.8
198.13879	4.4
199.11221	11.8
199.14790	15.0
199.37042	3.2
200.15230	3.4
201.09029	3.3
201.12804	8.3
201.16432	6.1
203.10696	3.4
205.12167	4.6
206.10883	6.3
207.10149	9.6
207.11777	12.8
207.13792	6.5
208.12502	8.5
209.09567	3.3
209.13321	27.4
210.10431	3.6
210.13994	6.0
211.11198	9.7
211.14777	29.3
213.12822	12.7
213.16461	9.8
215.14388	7.6
217.12187	4.0
219.11757	6.9
219.13741	3.2
220.08794	3.9
220.12476	7.5
221.13310	13.5
223.11185	9.6
223.14809	26.9
224.11803	3.2
224.15512	5.1
225.12776	10.1
225.16405	13.1
227.10600	3.8
227.14299	10.0
227.17999	3.7
232.12500	4.0
233.13184	6.9
235.07686	3.2
235.11282	6.4
235.14764	15.7
236.15564	4.6
237.12811	8.0
237.16444	16.6
239.10614	3.5
239.14354	9.3
239.17929	6.3
241.12274	6.9
241.15921	8.5
245.13167	3.9
245.15424	3.5
246.13861	4.0
247.14755	3.9
248.15485	3.2
249.12813	6.6
249.16309	10.3
250.06186	4.1
251.10652	3.1
251.14270	10.6
251.17993	9.7
253.12308	7.3
253.15913	12.7
253.19659	5.2
255.17310	3.3
260.15463	3.4
261.16470	6.5
263.06931	4.7
263.18054	7.7
264.18738	3.3
265.08566	6.2
265.15842	7.2
265.19427	5.1
267.17462	11.1
268.03970	3.1
269.15396	4.2
269.18954	5.1
271.17102	6.4
275.14331	4.6
275.17963	4.9
277.15961	5.4
277.19421	4.0
278.09338	2.9
279.06567	5.1
279.17419	12.1
279.20633	3.5
281.18976	3.5
283.17145	5.5
285.18588	3.8
289.19431	3.7
291.06647	3.5
291.13754	3.4
291.17484	5.4
292.07407	3.3
293.07898	4.7
293.15512	3.8
293.19058	3.7
294.08664	3.2
297.07605	6.8
297.18298	4.0
305.18958	5.5
305.22510	5.3
307.06137	4.2
307.09686	4.2
307.16895	8.4
307.20621	13.4
308.06909	4.7
308.17529	4.5
309.07718	5.1
311.05756	4.4
311.09357	3.9
311.19995	4.3
313.21738	3.7
321.07629	6.2
323.09247	8.2
323.20026	7.1
325.18106	5.2
325.21619	17.6
326.07870	5.1
327.08481	4.1
327.23172	3.8
329.10324	3.1
333.22107	10.7
337.10809	6.4
337.21375	6.2
349.21741	3.4
351.08594	5.1
351.19495	3.9
351.23297	11.2
352.24023	6.5
353.10269	4.8
355.11722	4.7
363.23279	6.3
365.10107	10.5
366.25964	3.5
367.11615	7.1
367.26648	5.0
369.24503	5.2
383.11295	32.3
384.11136	5.2
393.27869	7.4
395.14792	7.6
397.12598	8.5
399.14328	3.9
401.28644	5.3
401.76849	3.6
407.21848	4.8
414.16718	5.6
419.25543	10.1
419.30130	5.3
421.27625	4.0
423.28995	4.0
427.17487	8.9
429.23447	9.2
429.27921	13.8
437.26181	4.1
447.23886	10.4
447.29797	52.7
448.29507	4.0
451.21255	4.1
465.30731	67.8
466.30386	3.6
483.24390	84.7
483.31021	19.8
484.25165	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	4.5
53.03938	8.8
55.01886	4.8
55.05272	5.0
55.05514	59.4
57.03421	3.6
57.07074	3.9
58.29395	3.6
65.02309	3.7
65.03928	4.0
67.05512	39.8
69.03432	6.7
69.07069	10.2
79.05491	27.1
81.07059	41.3
83.04987	84.9
83.08603	6.4
85.06551	4.4
91.05480	34.7
93.07047	61.8
95.04974	15.9
95.08612	100.0
97.02948	5.0
97.06532	11.4
98.23444	7.9
99.04467	4.5
99.92535	4.0
105.07040	48.8
107.08595	65.6
109.06525	18.0
109.10172	26.7
111.04456	13.1
111.08080	15.8
115.05408	7.9
117.07037	23.1
119.08586	68.1
120.08951	4.6
121.06524	16.6
121.10155	37.6
123.08080	17.0
123.11729	7.2
128.06183	7.2
129.07018	10.8
130.07794	3.9
131.08578	46.8
133.06511	7.3
133.10141	47.2
134.10445	5.1
135.08061	16.1
135.11713	16.9
137.06029	7.9
137.09624	6.6
139.07570	4.3
141.06993	6.2
142.07776	8.2
143.08543	34.3
144.09265	7.6
145.06433	8.5
145.10135	56.2
147.08075	22.0
147.11696	35.4
149.06094	4.3
149.09653	10.9
149.13206	5.2
153.07112	3.8
155.08572	14.0
156.09366	10.2
157.10152	36.1
158.10834	4.7
159.08069	17.9
159.11716	56.5
161.05984	9.3
161.09590	39.2
161.13289	13.7
163.11235	5.4
163.14877	5.2
167.08606	9.6
169.10129	18.6
171.08078	15.8
171.11652	24.2
172.08788	7.8
173.09644	26.7
173.13235	28.2
175.11226	15.0
175.14835	8.0
179.08626	8.3
181.10022	8.5
183.11705	17.2
185.09624	14.4
185.13226	20.9
186.10310	8.5
187.11220	20.6
187.14835	19.5
189.09056	6.4
189.12791	10.8
189.16432	5.0
191.14349	4.7
193.10313	4.2
193.12305	4.8
195.11795	10.5
197.13242	20.1
199.11163	11.8
199.14815	14.2
200.11755	4.1
201.12727	24.1
201.16449	5.4
203.10666	5.9
203.14380	9.6
205.12173	4.3
209.13225	14.8
211.11235	6.9
211.14851	13.7
213.12740	24.7
213.16454	5.3
215.14369	17.9
217.12212	5.4
219.13696	8.5
221.13185	4.9
223.11188	4.9
225.12671	9.9
225.16435	5.7
227.14375	18.1
229.15894	13.1
229.92746	4.8
231.13834	10.0
233.13213	7.9
233.15379	11.6
235.11060	4.4
235.14880	4.7
239.14272	7.9
241.19615	4.7
245.15422	15.8
247.14807	6.2
247.17046	6.3
251.14354	4.2
253.12407	5.6
259.17007	5.7
267.17603	6.0
277.08823	4.2
279.17456	4.9
283.20517	6.3
285.18658	4.7
309.22083	8.0
311.20053	7.7
325.21576	19.6
351.23026	7.0
365.10089	6.5
379.11713	6.3
381.13321	6.7
395.14886	8.9
396.15933	5.9
397.13052	8.0
411.14658	5.0
412.15140	6.2
414.17075	8.0
419.29578	9.8
420.19110	5.5
423.11945	7.0
427.17587	8.3
429.28058	12.4
437.30634	11.4
447.28922	33.7
448.29242	12.7
451.21292	8.9
465.30075	44.0
466.29483	4.9
483.23740	29.4
483.31000	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.9
55.05506	43.7
57.07084	5.6
58.34695	4.8
59.84422	4.9
67.05502	38.9
68.29263	4.4
69.07065	18.4
69.27402	39.3
71.04998	5.7
74.94297	4.3
79.05482	23.8
81.07049	35.7
83.04974	32.6
83.08619	13.3
85.06596	6.9
88.24419	4.7
91.05483	45.7
93.07045	65.9
95.04980	11.4
95.08602	86.4
97.06533	10.9
105.07029	67.2
107.08598	51.6
109.06524	40.8
109.10146	28.3
111.04469	10.0
111.08109	11.4
117.07016	12.1
119.08584	80.6
121.06514	40.3
121.10150	48.4
123.08047	29.7
123.11749	5.8
125.09672	6.3
128.06233	9.1
129.07019	13.4
130.07730	6.6
131.08606	34.3
133.10164	41.2
135.08084	25.0
135.11722	10.3
137.05986	12.0
137.09698	6.2
139.07506	8.0
141.07022	8.2
142.07770	12.1
143.08545	37.5
144.09375	5.4
145.10141	58.7
146.10545	5.6
147.08051	17.4
147.11684	19.0
149.09637	21.1
149.13184	5.1
155.07036	16.0
155.08577	22.1
156.09319	10.5
157.10130	53.4
158.10701	4.7
159.08070	10.0
159.11720	46.2
161.09637	38.0
161.13309	15.4
163.11188	17.2
165.06992	6.7
167.08569	8.5
168.09352	7.2
169.10115	31.3
170.10826	6.9
171.08081	7.4
171.11688	40.6
173.09647	19.5
173.13258	21.1
175.11206	13.7
179.08589	6.5
180.09164	5.4
181.10155	19.0
182.10803	9.8
183.11671	37.9
185.09656	8.3
185.13278	28.9
187.11230	18.7
187.14847	14.4
189.12762	8.0
191.10703	10.9
192.09404	5.2
193.10211	15.0
194.10805	10.1
195.11691	16.8
197.09694	7.3
197.13263	21.2
199.11201	16.1
199.14790	9.3
201.12730	13.6
205.12245	5.2
206.10835	8.2
207.11728	20.6
207.13625	5.8
208.12413	5.8
209.09671	8.3
209.13246	17.1
210.10271	5.3
210.14137	7.5
211.11092	8.0
211.14890	15.5
213.12773	15.4
217.12187	5.3
219.11749	9.1
221.13367	24.7
223.14842	22.3
223.16875	5.5
225.12810	13.0
225.16321	8.8
227.14375	13.0
229.12209	9.8
231.11775	5.6
231.13814	9.8
233.13313	7.9
233.15454	6.4
235.14827	5.2
237.12666	12.6
237.16443	7.7
239.14136	5.6
239.17929	6.0
241.15869	8.9
243.13889	5.6
245.13306	5.6
246.14076	8.3
247.14915	10.7
247.16983	7.3
249.12653	7.3
249.16344	9.1
249.62708	5.3
251.14249	11.1
251.17970	6.6
253.15907	15.0
255.17419	5.3
257.15359	6.4
261.12827	6.2
261.16309	7.8
263.17819	9.2
265.15918	13.8
267.17392	10.5
269.15359	6.6
271.17090	5.4
279.17429	9.8
281.18930	9.8
283.16968	5.5
287.20032	8.6
289.15820	9.1
291.17319	8.9
291.20996	5.5
297.18484	7.8
305.19009	10.0
307.17120	11.9
307.20654	23.6
323.19855	5.3
325.21579	13.9
327.19589	8.4
327.23108	5.5
329.24701	6.3
345.21027	7.4
353.81183	5.3
367.18692	6.4
367.26312	6.0
407.25821	7.5
419.29559	9.3
421.27271	8.2
429.23090	8.0
429.28671	22.6
437.30746	5.5
447.29663	73.6
448.29010	16.2
465.30240	100.0
466.30234	15.2
483.31638	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.8
55.05508	39.3
57.07070	4.8
58.11096	4.7
67.05504	35.9
69.03425	9.7
69.07064	12.6
69.32164	32.2
72.99759	4.5
79.05500	22.5
81.07059	37.3
83.04978	42.2
83.08630	5.3
91.05485	34.1
93.07054	64.5
94.35893	4.2
95.04955	16.7
95.08611	86.0
97.06569	6.4
99.04474	5.0
101.06030	14.7
102.60927	4.7
105.07031	51.9
107.08601	55.6
109.06506	14.7
109.10168	36.1
111.04483	5.3
111.08076	15.6
117.07030	16.7
119.08584	75.2
121.06512	16.4
121.10139	55.8
123.08089	23.8
123.11696	11.4
125.09614	5.1
129.07024	14.8
131.08591	41.7
133.06499	9.1
133.10135	43.6
135.08054	19.5
135.11694	21.4
135.12624	5.2
137.06009	8.5
137.09555	6.4
139.07547	13.1
141.07062	5.0
141.09064	9.4
142.07787	16.0
143.08574	30.1
145.10106	54.4
147.08081	10.9
147.11717	25.8
149.09619	11.0
149.13245	6.9
150.02751	5.9
151.11079	4.7
155.08559	16.0
156.09326	11.6
157.10135	54.6
159.08092	12.7
159.11719	41.8
161.09636	24.0
161.13277	16.5
163.11153	20.5
165.06895	5.8
167.08574	10.0
169.10144	21.1
171.11708	37.1
173.09633	19.7
173.13222	23.0
175.11197	18.8
177.09122	6.8
177.12801	7.5
179.08530	4.7
181.10156	15.9
181.12265	17.1
182.10912	5.8
183.11679	30.9
185.09622	11.2
185.13290	25.8
187.11182	14.3
187.14836	11.1
189.12759	7.1
191.10709	6.7
192.09367	4.5
193.10184	13.1
194.10954	7.6
195.10193	5.5
195.11722	20.9
196.12540	6.2
197.13269	20.0
198.10336	4.7
199.11186	9.9
199.14790	16.9
201.12755	15.6
201.16341	5.9
203.14272	17.5
205.12202	9.2
207.11763	12.1
207.13667	4.6
209.09615	6.2
209.13213	23.4
211.11191	10.1
211.14859	12.3
213.12621	11.2
213.16344	9.0
215.14288	9.0
217.12338	6.4
219.13789	15.2
221.13298	13.1
221.15428	7.2
223.11227	8.5
223.14769	22.2
225.12798	11.8
225.16406	7.7
227.14314	14.7
229.12305	8.0
229.15788	7.3
231.13803	8.9
233.15294	6.5
235.14783	10.0
237.12762	6.2
237.16339	7.8
239.14268	7.2
239.18140	5.5
241.12138	5.1
243.13847	9.0
245.15414	25.9
247.17006	12.2
249.12720	6.9
249.16365	8.6
251.14212	5.9
257.15305	6.2
265.16071	6.4
265.18994	5.2
267.13849	6.4
267.17258	5.2
269.15289	10.3
271.17145	5.7
279.17288	5.5
281.18945	5.0
285.18570	10.9
297.18579	8.3
297.91464	4.8
299.19897	6.7
305.18979	6.5
307.20703	9.7
309.07336	5.0
325.21661	22.1
343.22742	11.7
351.23248	7.0
365.24515	8.9
405.28165	5.3
409.23849	8.2
419.29364	17.2
423.28885	9.4
429.27814	18.6
447.28958	46.2
465.30115	99.5
466.30521	11.7
483.16504	16.3
483.31409	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16834	3.0
53.03948	7.0
55.01863	7.1
55.05511	25.6
57.03416	3.2
57.07065	3.8
65.03937	5.0
67.05510	37.4
69.03419	5.7
69.07068	23.9
69.76464	7.9
69.89095	2.4
71.04991	3.5
79.05498	21.7
81.07053	46.1
83.04974	20.7
83.08611	7.1
91.05477	30.8
93.07043	62.3
95.04960	15.5
95.08608	100.0
96.08956	2.9
97.02889	2.8
97.06542	13.3
98.23296	3.3
99.04452	7.0
101.02391	2.8
105.07027	58.5
107.08593	55.8
109.06520	43.0
109.10148	29.9
111.04437	11.1
111.08090	19.4
115.05461	2.9
117.07018	13.6
119.08574	63.1
121.06459	13.2
121.10133	40.7
123.08038	18.6
123.11710	7.9
125.06002	2.6
125.09608	2.6
128.06239	5.6
129.06996	13.6
131.08571	33.1
133.06471	6.4
133.10130	47.9
135.08067	13.1
135.11697	15.6
137.05952	8.2
137.09592	9.5
139.07524	8.3
141.06976	7.0
141.09111	5.8
142.07759	11.8
143.08575	28.4
144.09251	4.9
145.06483	3.5
145.10124	60.5
147.08035	19.0
147.11688	29.6
149.06001	4.2
149.09625	13.1
149.13303	6.0
153.06960	3.0
153.09090	3.1
154.07761	2.8
155.07033	10.3
155.08545	16.1
156.09311	10.0
157.10118	49.7
158.10713	2.1
159.08026	14.7
159.11688	44.1
161.09596	18.5
161.13226	21.2
163.07503	4.9
163.11156	9.5
165.09116	2.9
167.08618	6.1
168.09361	4.6
169.10133	23.1
170.10794	5.6
171.08047	8.5
171.11691	49.2
172.08839	2.8
172.12256	3.8
173.09581	18.7
173.13246	23.3
175.07524	4.7
175.11169	10.6
175.14806	7.3
177.09114	6.7
177.12679	2.5
179.08607	6.2
179.10660	4.6
181.10190	13.7
182.10899	3.7
183.11650	22.6
184.12305	5.1
185.09657	12.0
185.13242	23.7
186.10312	4.2
187.11209	21.7
187.14789	14.3
189.09009	3.8
189.12727	15.2
191.10675	8.2
193.10104	8.2
193.12180	5.6
194.10713	2.8
195.11693	18.5
196.12260	2.7
197.09605	6.4
197.13269	20.2
198.10498	3.2
198.14043	4.1
199.11148	11.8
199.14803	9.9
201.09053	3.2
201.12767	10.8
201.16344	5.8
203.10608	5.2
203.14334	7.1
205.10274	2.7
205.12256	7.1
207.10083	3.6
207.11739	7.3
208.12320	3.0
209.09711	2.8
209.13242	18.5
210.13910	4.9
211.11157	9.6
211.14784	14.4
212.15417	3.7
213.12668	14.7
213.16336	6.7
215.10832	5.7
215.14357	14.8
215.17867	3.0
216.84583	2.7
217.12181	8.3
219.11794	4.9
219.13821	10.6
221.13354	5.7
221.15315	3.8
223.11101	3.0
223.14836	15.5
225.12692	8.7
225.16319	7.3
227.14270	9.6
229.12233	8.6
229.15851	7.2
231.13811	17.2
233.13361	4.4
233.15324	12.3
235.14827	10.1
235.16939	3.5
237.12685	4.1
237.16391	6.3
239.14352	5.1
239.17902	5.3
241.11966	3.0
241.15828	8.5
243.13808	8.1
245.15385	10.2
247.16980	11.5
249.14674	5.1
251.14276	5.3
251.17912	3.9
253.15889	7.4
255.13795	4.0
257.15381	4.8
259.16794	4.9
265.15775	6.7
265.19690	5.1
267.17145	3.2
269.15353	7.5
269.19003	3.7
271.16898	6.0
273.18549	4.0
275.16409	5.4
283.16992	3.3
285.18542	6.3
287.20245	3.3
289.19510	5.8
291.21252	3.3
295.16934	4.3
297.18564	2.9
299.20145	4.9
307.20511	10.6
309.22021	4.5
311.20313	2.7
323.19962	3.7
325.21533	17.6
327.23117	6.9
329.24612	9.6
333.22040	4.7
337.21417	3.4
341.20999	2.8
343.22763	12.4
345.21762	3.1
351.23077	4.6
367.19000	3.7
369.24045	6.5
381.24484	3.1
401.28525	3.5
405.28061	3.5
419.29398	8.3
423.28931	7.3
429.28278	12.6
437.30334	8.8
447.29321	33.0
448.28879	3.6
465.30212	59.5
466.30411	5.0
483.23541	70.7
483.30930	70.5
484.23810	6.9
484.31454	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.8
55.05510	39.7
57.07090	5.0
67.05508	38.3
69.03436	6.5
69.07064	15.7
71.05010	6.4
79.05493	15.5
81.07054	48.0
83.04977	40.8
83.08598	6.9
85.06553	4.8
91.05482	30.3
93.07046	46.1
95.04974	9.2
95.08612	82.4
97.06506	9.5
97.10173	5.3
99.04440	10.3
105.07030	51.5
106.07348	7.1
107.08595	48.5
109.06511	14.5
109.10178	22.3
109.86214	4.0
111.04464	6.8
111.08103	18.6
115.05447	7.7
117.07028	12.6
119.08591	57.9
120.84295	4.1
121.06541	13.2
121.10159	35.8
123.08084	30.0
123.11708	8.8
128.06236	6.4
129.07025	11.4
130.07831	5.0
131.08588	30.7
133.10147	33.7
135.08040	10.0
135.11694	13.9
137.05992	8.9
137.09598	7.4
139.07501	9.4
141.07056	9.8
141.09103	14.2
142.07787	7.7
143.08577	42.0
145.06413	6.4
145.10133	52.2
147.08029	12.6
147.11691	16.6
149.09604	8.2
149.13235	6.1
155.08600	22.4
156.09370	9.8
157.10130	54.9
159.08086	15.7
159.11687	50.5
161.09619	21.0
161.13303	13.8
162.09895	4.3
163.11214	7.3
164.56302	4.2
165.12828	5.2
167.08546	8.4
167.10699	5.4
168.09337	10.6
169.10112	34.0
170.10873	11.2
171.11678	48.4
172.92012	4.4
173.09650	14.0
173.13231	19.2
175.11153	11.0
179.08595	5.3
179.10736	9.4
180.09279	6.7
181.06731	4.9
181.10143	23.7
182.10880	11.5
183.11687	39.5
184.12456	8.0
185.09660	7.4
185.13261	33.7
187.11195	14.5
187.14667	4.6
189.12746	7.7
191.10715	11.0
193.10143	14.1
194.10916	9.3
195.11678	27.1
196.12424	12.6
197.09633	10.7
197.13252	26.8
199.11247	12.3
199.14897	17.1
201.12805	15.6
203.10655	6.3
205.12236	5.2
207.11688	16.7
208.12404	11.3
209.13173	34.6
210.14053	5.3
211.11186	12.4
211.14824	22.2
212.15680	5.3
213.12694	7.5
213.16380	6.5
215.14357	7.0
217.12291	7.1
219.13643	5.6
221.13351	13.0
223.11066	6.7
223.14865	25.0
225.09134	16.0
225.12741	12.1
225.16368	11.1
227.14288	12.1
229.15793	6.3
231.11702	5.6
231.13805	4.8
233.15405	5.4
235.14745	11.4
237.12836	6.3
237.16386	17.4
238.06306	8.8
239.14372	12.9
241.15848	11.1
243.13718	8.9
245.15384	19.7
247.17049	9.6
249.16306	11.0
251.14296	13.7
251.18042	6.0
253.08594	7.8
253.15707	9.0
255.13759	5.0
257.15268	9.1
259.16998	8.1
261.16321	6.0
263.14276	5.7
263.18033	6.2
265.19711	5.7
267.13913	11.2
268.07242	5.5
269.15317	16.4
270.05316	4.7
271.17047	11.4
279.17535	9.5
279.20935	4.8
281.08060	20.5
283.16971	6.5
285.18454	11.3
287.05093	4.6
289.15750	5.1
293.19144	5.5
297.18567	9.1
299.20096	14.6
305.08179	5.3
307.20493	10.4
311.09274	7.3
313.10684	4.8
315.08759	9.2
325.21616	23.3
326.21832	5.7
327.22742	5.3
333.21933	8.9
343.11752	23.8
351.23148	5.4
363.22800	7.0
403.26041	6.5
405.28052	11.7
419.29489	12.3
421.27386	6.4
423.14133	87.5
423.21405	13.3
423.28992	15.2
424.14673	5.9
429.28152	24.1
437.30579	5.4
439.28473	32.8
447.28998	65.1
448.29660	7.5
465.23740	7.9
465.30035	100.0
466.30301	13.0
483.16516	6.8
483.24319	10.2
483.30963	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	40.7
55.67615	9.2
57.07083	25.9
59.62653	8.7
67.05510	44.5
69.07076	31.3
69.10946	90.5
71.08647	15.4
79.05474	26.3
81.07053	53.9
83.04968	24.9
83.08623	13.6
88.07652	22.6
89.06042	30.8
91.05489	25.0
93.07040	61.8
95.08604	100.0
98.22589	19.7
100.12804	9.9
105.07041	50.8
107.08624	44.9
109.10154	37.9
111.08112	12.7
119.08586	48.1
121.10160	40.3
123.08070	26.5
123.11752	15.2
126.68375	9.7
129.06969	12.1
131.08565	20.4
133.08572	22.4
133.10141	33.1
135.08084	12.6
142.07870	11.3
143.08582	42.6
145.10164	36.5
147.11755	24.3
155.08559	23.1
156.09328	14.4
157.10138	84.1
159.08145	15.9
159.11723	38.2
161.09673	22.3
163.11203	13.2
169.10153	38.4
171.11702	31.6
172.12152	13.8
172.70638	10.2
173.09708	16.0
173.13327	23.4
175.11174	9.5
181.10146	20.9
183.11729	28.7
185.13368	23.0
187.11192	16.4
195.11812	27.1
197.13274	27.8
199.11095	15.8
209.13260	38.0
211.11172	13.3
211.14839	25.0
213.16341	17.3
215.14320	12.2
221.13371	13.6
223.14857	27.2
225.12776	10.3
225.16418	13.4
228.23216	12.8
231.13875	15.7
235.14944	12.2
239.14520	12.1
251.14186	15.7
253.15688	16.4
257.15237	14.6
267.13809	11.9
279.17776	11.9
283.17432	18.2
285.18326	10.8
307.20538	18.4
311.29443	10.8
325.21716	26.6
394.67310	10.4
395.19086	12.1
419.29486	12.1
423.29239	12.0
429.28104	18.5
429.63150	11.2
439.28342	19.3
447.28915	48.0
465.29980	92.5
466.30435	15.2
483.30997	40.4
484.47083	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.01879	9.2
55.05513	53.5
57.07079	4.9
67.05505	52.0
69.03421	7.3
69.07069	27.9
69.24596	3.9
69.26952	25.3
71.05008	4.9
79.05499	23.1
81.07057	47.3
83.04979	67.3
83.08623	12.1
85.06557	9.6
91.05467	40.3
93.07041	60.6
95.04974	12.8
95.08611	100.0
97.06525	12.8
97.10165	4.7
99.04440	10.8
99.08097	4.6
105.07036	55.7
105.95798	4.1
107.08606	49.2
109.06514	16.1
109.10148	27.6
111.04453	14.3
111.08107	21.2
113.06039	7.8
115.05483	5.6
117.07045	14.7
119.08575	69.5
119.09349	7.0
121.06521	15.9
121.10133	36.8
121.36812	5.4
123.08069	29.5
123.11714	12.4
125.05972	6.4
128.06238	12.1
129.06996	17.4
130.07767	4.7
131.08578	26.3
133.06465	5.1
133.10118	46.6
135.08047	11.4
135.11685	20.8
137.09630	12.4
137.13220	4.5
139.03903	8.9
139.07527	14.3
141.06993	5.3
141.09142	10.3
142.07800	11.7
143.08577	39.1
145.06458	5.8
145.10114	51.6
147.08076	13.6
147.11658	19.7
149.09607	13.3
149.13307	7.2
153.06982	5.4
155.08562	21.4
156.09290	16.8
157.10155	67.4
158.10777	4.1
159.08041	11.4
159.11687	61.7
161.09651	28.3
161.13307	13.1
163.11249	11.5
165.06975	8.0
165.09067	4.9
167.08583	9.2
168.09320	7.9
169.10133	43.9
170.10828	7.9
171.07968	8.1
171.11678	50.1
173.09668	16.5
173.13290	15.7
175.11166	15.7
179.08614	10.3
179.10774	7.8
181.10097	20.6
182.10825	7.7
183.08067	4.6
183.11694	42.4
184.12367	5.8
185.09662	6.7
185.13280	27.8
187.11221	12.9
187.14850	9.1
189.12785	11.0
191.10669	6.6
193.10152	9.9
193.12225	4.7
194.10818	9.8
195.08133	5.7
195.11714	23.3
196.12395	8.2
197.09618	8.2
197.13240	37.6
199.11206	17.4
199.14807	15.2
201.12778	9.3
203.10765	5.2
205.10182	4.9
207.11778	20.2
207.13477	5.0
208.12372	9.5
209.09615	10.5
209.13290	35.5
211.07570	5.0
211.11214	11.7
211.14867	31.0
213.12773	14.7
213.16292	8.4
217.10303	7.2
217.12279	9.5
221.13351	12.2
223.11154	10.2
223.14816	26.4
225.09044	5.0
225.12755	18.9
225.16489	19.4
227.14377	12.8
231.13759	6.7
233.13321	10.9
235.14893	17.4
237.12732	10.7
237.16386	11.6
239.14316	13.9
239.17917	5.7
241.12102	4.4
241.15816	9.8
243.13864	11.0
245.13135	5.1
245.15312	19.6
246.13835	6.1
247.14854	9.9
249.16423	10.8
251.14323	18.1
251.17943	6.5
252.07730	5.1
253.15941	9.5
257.15497	9.5
259.16898	7.0
261.16290	7.0
263.14282	4.8
263.17917	8.3
265.08569	5.3
265.15833	6.3
265.19626	7.7
267.13959	4.7
267.17548	6.8
269.15363	15.7
271.17014	13.0
277.15829	8.6
279.17471	11.1
279.21011	6.5
281.15598	5.8
283.17007	7.1
285.18497	8.7
291.21265	5.0
292.07401	5.1
293.08176	7.2
299.14279	4.8
299.20227	10.8
305.19055	5.5
307.17233	5.4
307.20435	19.3
308.06454	4.5
323.09216	8.6
323.20026	5.0
325.21729	22.5
333.22241	9.9
337.80908	4.3
343.23230	6.2
351.23300	7.9
353.10428	7.6
383.11191	30.7
403.26288	7.2
405.27917	14.0
407.25778	5.7
419.29733	10.0
421.27274	5.7
423.29236	8.4
429.28497	25.6
439.28488	16.6
447.29559	55.1
448.29370	7.2
465.30362	89.9
466.30444	9.0
483.30841	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.0
55.01859	6.6
55.05275	4.6
55.05514	73.0
57.03430	2.9
57.07067	3.2
60.46928	2.4
61.52709	2.5
61.72206	2.4
65.03957	3.1
67.05503	36.1
69.03432	16.6
69.07059	20.5
71.04994	5.2
71.30479	4.3
79.05493	40.5
81.03421	10.5
81.07056	100.0
83.04979	79.9
83.08625	8.0
85.02908	4.2
85.06536	7.5
91.05469	36.9
91.58066	2.6
93.07044	51.4
95.04964	20.2
95.08605	85.3
95.52668	2.7
96.08971	2.6
97.02885	6.9
97.06518	13.1
97.10158	16.9
99.04455	6.7
105.07026	48.8
107.04963	6.1
107.08596	50.5
109.02872	4.5
109.06511	69.2
109.10170	20.5
111.04436	14.0
111.08092	8.1
113.06045	3.4
115.05421	3.6
117.07017	16.4
119.08578	54.3
120.08950	2.6
121.06507	11.8
121.10133	28.8
123.04425	9.3
123.08086	15.5
123.11725	8.6
125.05978	2.9
125.09650	5.1
127.03928	6.7
127.07558	3.9
128.06244	6.5
129.07022	14.9
131.08575	42.9
133.06447	5.5
133.10124	38.8
135.08089	12.6
135.11726	14.0
137.05977	54.8
137.09596	4.7
139.03906	7.8
139.07474	6.7
141.07033	4.3
142.07770	12.0
143.08563	28.8
143.10695	7.5
144.09315	3.6
145.06467	4.2
145.09038	3.2
145.10123	40.5
147.08063	15.0
147.11705	26.2
149.06076	3.2
149.09622	8.9
149.13287	8.4
151.07532	5.3
151.11206	4.1
153.05432	5.2
153.09015	3.0
155.07027	18.8
155.08554	14.0
156.09421	6.3
157.10123	30.2
159.08066	9.2
159.11665	26.5
161.05952	3.1
161.09644	16.2
161.13339	12.4
163.03905	14.3
163.07539	7.1
163.14854	2.9
165.06987	3.5
165.09195	4.0
166.07851	3.3
167.07033	7.1
167.08511	5.8
167.76305	3.0
169.10091	16.6
170.10924	2.9
171.08018	5.8
171.11678	18.4
173.09599	14.9
173.13261	25.7
175.07527	5.7
175.11153	14.7
175.14835	6.1
177.09157	5.7
177.12737	3.5
179.08549	3.4
179.10664	6.0
180.09363	3.5
181.10085	7.1
181.12198	4.6
182.10905	3.8
183.11702	16.1
184.12245	3.1
185.09610	10.3
185.13255	12.0
187.07483	3.6
187.11189	11.7
187.14821	15.8
189.09200	4.5
189.12747	7.2
189.16383	5.4
191.10643	5.1
193.10181	4.3
193.12260	4.4
195.11700	10.3
197.09546	4.2
197.13289	14.4
197.14998	2.4
198.10406	3.1
199.11275	5.7
199.14871	8.6
201.12747	8.4
201.16414	4.4
203.10710	6.5
203.14275	4.2
205.12161	3.8
205.15758	2.9
207.11809	4.6
207.13760	4.0
209.13292	6.6
211.11053	4.1
211.13103	3.9
211.14856	6.5
213.12737	11.4
215.10809	2.8
215.14403	12.4
217.12260	6.6
219.13857	7.3
221.11618	4.1
221.13478	4.1
221.15422	6.0
223.14830	6.9
225.12738	5.3
225.16342	4.2
227.14340	5.2
228.07785	3.3
229.12178	3.2
229.15892	6.0
231.13849	9.0
233.15364	13.6
235.14882	4.4
235.16954	6.1
237.16365	6.8
239.14317	3.3
241.15872	3.4
243.13831	7.5
245.15335	12.8
247.16893	10.2
253.15851	6.2
257.15320	6.7
259.17087	5.0
265.10779	4.4
267.17508	6.1
271.06201	3.5
271.09454	3.7
281.15414	3.8
285.18555	4.1
291.08746	3.4
294.08685	3.3
298.08530	3.5
299.09009	5.2
299.20178	2.9
309.07648	7.0
309.22134	3.4
311.23486	3.3
323.09082	3.8
323.20215	4.2
324.09882	6.5
325.21606	4.3
327.23218	13.1
329.10144	12.2
329.24664	23.7
333.17188	4.8
337.17844	3.3
343.95758	3.2
353.10147	4.2
355.11832	7.0
365.10181	7.7
383.11209	13.5
399.89877	3.0
419.29126	4.6
429.27982	4.9
437.22925	4.9
447.29083	17.5
448.28833	4.5
465.18671	7.7
465.23627	5.0
465.29544	23.5
466.29996	3.9
483.23502	24.4
483.30588	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84819	2.3
53.03940	4.6
55.05510	29.6
55.69587	2.8
57.07067	2.7
65.03924	3.3
67.05505	39.9
69.03449	6.5
69.07064	18.1
69.24493	19.5
77.38911	2.4
79.05501	24.7
81.07059	45.1
83.04990	29.2
83.08620	8.0
85.06541	4.6
91.05484	34.7
93.07037	55.3
95.04961	10.4
95.08607	100.0
96.08929	4.2
97.06532	13.7
97.10152	3.7
99.04473	2.8
103.05436	2.7
105.07033	61.9
105.55867	2.5
107.04910	2.7
107.08595	53.5
109.06535	9.4
109.10155	36.1
111.04422	6.1
111.08076	12.3
113.05964	4.3
116.06239	3.0
117.07020	20.8
118.06118	3.0
119.08581	63.1
121.06502	16.3
121.10139	40.1
123.08056	21.4
123.11713	17.1
125.05999	19.0
125.09630	4.5
128.06200	4.6
129.07045	13.6
131.08563	36.9
131.42632	2.8
133.06494	3.2
133.10139	37.8
135.08049	9.2
135.11707	19.2
137.05963	4.0
137.09633	4.7
139.07541	5.2
141.06996	9.6
141.09132	7.4
142.07764	15.1
143.08566	37.6
144.09279	5.3
145.06354	3.1
145.10121	47.9
146.10541	3.1
147.08044	8.3
147.11678	24.2
149.09634	8.1
149.13243	9.8
154.07843	3.3
155.08562	20.0
156.09334	14.6
157.10127	44.4
159.08061	8.9
159.11687	41.8
161.09607	19.2
161.13237	23.1
163.11177	5.7
165.06961	3.3
165.09082	3.5
167.07025	16.3
167.08575	7.5
169.08699	5.0
169.10117	32.1
170.10860	9.0
171.11679	38.8
172.12221	2.9
173.09619	12.8
173.13225	20.2
175.11153	10.0
175.14842	7.5
177.09126	3.8
179.08527	4.6
179.10648	6.0
180.09166	3.0
181.08557	6.2
181.10118	9.1
183.11688	31.1
184.12256	4.2
185.09631	3.9
185.13249	25.7
187.11156	12.9
187.14809	10.0
189.09082	4.2
189.12749	11.0
189.16389	7.5
191.10625	7.2
193.10146	3.8
194.10866	2.6
195.11671	17.5
196.12367	5.0
197.09717	3.8
197.13260	23.5
199.11118	4.8
199.14847	14.0
201.09033	2.8
201.12740	7.9
201.16455	6.2
203.10576	4.2
203.14421	3.0
205.12297	6.3
207.11687	6.9
209.13335	12.8
210.13919	4.6
211.11150	7.6
211.14868	15.2
212.15561	3.4
213.12784	5.4
213.16345	12.4
215.10701	9.1
215.14288	6.2
215.17990	3.3
217.12207	5.0
219.13829	3.7
221.13353	5.0
221.15274	3.5
223.11078	4.2
223.14738	11.9
225.12778	6.1
225.16367	11.7
227.14273	3.7
227.17928	3.7
229.12267	7.2
229.15904	4.4
231.13753	6.1
233.11653	3.9
233.15378	5.4
235.14909	5.8
235.16870	3.6
237.16455	4.7
239.14330	4.9
239.17978	5.2
241.19510	3.6
243.13724	5.4
245.15384	3.7
247.13223	4.6
247.16925	6.2
249.14690	3.6
251.14343	3.5
253.19487	5.7
257.15250	2.9
259.13318	3.2
259.16998	4.4
261.14706	3.9
265.19412	4.1
267.17398	5.0
267.20886	3.3
279.21085	7.0
285.18518	4.3
287.16428	7.1
297.18259	3.1
301.18210	2.9
301.21768	3.7
307.20419	4.2
315.19513	5.0
315.22989	3.1
323.19992	4.7
325.21588	5.9
337.21429	2.7
343.22797	20.4
351.22937	4.0
353.24619	3.9
359.92328	3.0
363.12186	2.8
365.10049	3.5
369.24103	4.8
379.26526	2.9
393.27643	5.6
395.14920	4.2
401.28552	4.2
407.25598	3.6
419.29437	24.8
425.26965	5.2
429.27673	7.6
437.30594	17.7
447.28851	25.5
448.29816	2.8
465.29779	35.4
466.30774	5.6
483.23676	10.5
483.30396	84.0
484.31223	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.01852	3.2
55.05507	24.1
55.72543	2.8
56.84939	2.6
57.03446	5.3
57.07064	7.0
58.02226	2.6
63.63894	2.5
65.03933	4.9
67.05502	34.3
69.03407	6.8
69.07063	17.3
69.23559	23.9
70.74304	2.7
71.04996	4.6
79.03434	3.1
79.05516	18.3
79.58428	2.7
81.07059	35.7
83.04987	25.3
83.08605	4.2
85.06538	3.5
91.05471	21.2
93.07040	45.0
95.04964	9.7
95.08608	100.0
97.06523	7.5
97.10193	4.0
99.04447	3.2
105.07034	46.9
107.08594	53.1
109.06508	10.2
109.10165	23.8
111.04456	9.1
111.08073	18.7
113.06022	3.2
115.05438	3.1
117.06242	3.9
117.06937	14.4
118.88101	2.8
119.08578	49.8
121.06497	12.0
121.10139	30.0
123.08070	28.6
123.11729	3.7
125.09547	4.5
128.06247	6.6
129.07031	11.3
130.07787	3.4
131.08563	30.2
133.10124	29.8
135.08047	11.7
135.11702	11.8
137.09624	5.0
139.07549	10.1
141.06982	5.8
141.09126	7.6
142.07776	18.0
143.08600	25.2
144.09320	5.3
145.06490	4.4
145.10121	42.2
147.08075	11.6
147.11690	18.1
149.09636	6.7
155.08496	17.4
156.09309	11.9
157.10129	51.6
158.10852	5.7
159.08080	9.9
159.11696	39.7
161.09615	19.4
161.13222	6.9
163.11147	8.1
165.06992	5.6
167.08575	8.4
168.09438	3.9
169.10124	37.6
170.10855	9.7
171.08090	4.8
171.11702	45.2
172.08739	4.7
172.12225	3.2
173.09613	16.6
173.13243	22.7
175.11169	7.2
175.14848	5.4
179.08563	10.8
179.10695	5.6
181.10143	24.2
182.10936	5.5
183.08116	4.2
183.11668	36.4
184.12331	6.6
185.09657	9.4
185.13257	35.3
186.13885	3.3
187.11121	17.2
187.14857	8.9
189.12743	10.1
193.10133	11.1
194.10928	5.4
195.11670	23.5
196.09138	3.0
196.12440	9.3
197.09618	7.6
197.13271	28.9
198.14046	3.4
199.11188	11.4
199.14774	16.6
201.12733	8.6
201.16490	4.4
203.14310	4.5
205.12305	4.5
207.11742	12.8
207.13611	4.2
208.12421	6.5
209.09659	6.4
209.13258	34.1
210.10426	4.1
210.13873	5.7
211.11171	11.3
211.14828	31.8
213.12720	9.6
215.10637	3.9
215.14407	3.9
217.12193	6.0
219.11777	5.9
219.13831	5.4
221.13208	15.3
222.13890	3.7
223.11224	6.1
223.14868	24.2
224.15337	4.5
225.09109	9.3
225.12657	14.3
225.16437	12.0
227.14268	11.9
229.12175	8.1
229.15875	6.0
231.13911	3.4
233.13222	5.3
233.15373	5.1
235.11099	5.7
235.14862	8.4
237.12830	5.1
237.16422	12.8
238.06305	3.7
239.14311	9.6
239.17955	5.8
240.07770	3.4
241.12270	3.5
241.15817	4.7
243.13849	6.9
243.17583	3.7
245.15382	12.4
247.14734	7.3
247.16985	5.2
249.12790	3.7
249.16455	8.8
251.14305	9.7
251.18140	7.3
253.08636	9.9
253.15887	10.5
255.13747	7.2
257.15457	8.5
259.17056	5.2
261.16412	4.8
263.14423	5.1
263.17865	6.5
265.15933	9.9
265.19452	4.7
266.05762	3.7
267.17499	5.1
269.15378	16.5
269.18179	2.8
271.16974	8.4
279.17416	7.2
281.08038	16.8
281.15347	3.4
281.18954	4.0
283.16965	7.4
284.17746	4.1
285.18552	8.3
286.04800	3.9
287.17700	3.9
289.19540	4.8
293.19183	5.5
297.18491	8.3
299.20050	13.1
301.06952	5.6
305.19083	4.2
307.20596	10.4
311.08960	5.1
315.08646	5.6
325.21603	24.6
328.09415	3.9
329.10336	3.6
333.22107	6.8
343.11768	19.9
343.22559	7.7
351.23047	10.3
365.24548	3.5
391.22571	6.0
401.28348	3.9
403.26382	7.3
405.27817	12.1
409.23691	5.4
411.26587	3.9
419.29709	13.6
421.27448	7.0
423.14151	66.0
423.28983	13.1
429.28165	18.2
437.30215	5.2
439.28516	27.4
440.28757	3.1
441.29657	4.1
447.29153	58.9
448.29153	5.5
465.30280	80.4
466.30313	8.7
483.31879	37.6
493.03452	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3108
Annotation	Kadsulactone A
Peak:m/z	Relative Intensity
53.03947	10.6
55.01866	12.0
55.05506	39.2
57.07077	6.8
59.88799	6.5
65.03964	7.8
67.05512	50.0
68.45480	7.1
69.03439	14.7
69.07063	31.1
69.19910	48.2
69.20310	9.3
71.04962	11.4
79.05485	29.5
81.07061	53.0
83.04983	77.2
83.08593	8.9
84.26862	6.8
84.39956	6.2
85.06546	18.3
91.05486	38.8
93.07043	82.1
95.04961	21.7
95.08606	83.5
97.06531	12.3
99.04455	22.5
105.06473	7.0
105.07052	72.8
107.08587	85.5
109.06508	16.8
109.10166	35.9
111.04460	48.8
111.08070	26.2
113.06018	11.2
117.07010	18.5
119.08578	96.4
121.06483	26.5
121.10165	89.8
123.08083	43.8
123.11655	12.0
128.06151	11.5
129.06982	18.9
131.08594	58.5
133.06447	14.1
133.10135	70.5
134.10532	6.2
135.08064	18.7
135.11702	37.8
137.06001	8.1
137.09636	23.2
139.07558	18.8
141.09189	8.9
142.07751	18.5
143.08528	46.2
145.06442	9.1
145.10129	96.8
146.10751	8.6
147.08054	23.0
147.11659	59.7
149.09628	21.8
149.13228	14.2
151.11172	8.3
155.08546	30.0
156.09384	34.9
157.10144	82.6
158.10635	8.7
159.08057	29.0
159.11707	80.7
161.06021	7.4
161.09657	32.6
161.13220	24.7
163.07565	8.9
163.11163	26.4
167.08638	8.4
169.10103	36.6
170.10828	7.3
171.11723	86.7
172.08873	10.1
173.09650	30.6
173.13286	46.5
175.11234	19.9
177.12747	23.7
179.08546	10.6
181.10019	9.8
181.12320	10.0
183.11685	48.4
185.09634	14.4
185.13254	45.1
187.11168	25.6
187.14832	18.3
189.12741	20.5
193.10088	9.1
194.10793	8.5
195.11731	20.8
197.13202	36.2
198.10397	7.8
199.11197	16.9
199.14815	35.8
201.12752	39.4
201.16403	11.6
205.12248	16.9
207.11755	13.2
207.13651	12.8
209.13220	32.5
211.11203	11.7
211.14749	33.0
212.15346	11.6
213.12721	27.0
213.16228	10.1
215.14279	9.0
217.12196	12.0
219.13884	16.8
221.13315	9.9
223.11253	12.0
223.14845	20.0
225.12740	13.0
225.16330	19.9
227.14307	38.0
227.17827	15.7
229.12228	11.6
229.15875	20.7
231.13776	9.5
233.13211	10.9
235.14891	8.7
237.16479	13.5
239.14355	11.9
239.17792	10.1
241.12282	8.8
241.15825	9.8
243.13736	8.4
245.15347	45.4
251.14279	14.3
251.18034	12.9
253.15904	11.2
253.19522	8.5
259.17081	8.3
265.19522	7.1
269.15494	14.5
271.16916	23.6
273.18561	18.1
283.17014	14.0
285.18570	11.7
287.16397	14.7
297.18488	32.0
315.19437	13.2
324.33984	7.7
325.21521	22.4
327.23248	9.2
333.22037	14.6
335.23489	8.3
337.21701	15.6
351.23236	10.9
355.22498	15.9
366.25348	17.2
367.26453	14.4
369.24274	11.9
384.26404	8.9
419.29395	23.2
429.27853	38.6
430.28244	10.5
447.29025	92.4
448.29016	22.3
465.30008	100.0
466.30338	34.6
483.30835	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61372	2.9
53.03939	4.9
55.05508	27.8
57.07078	5.2
65.03935	8.0
67.05506	33.9
68.05825	3.3
69.03432	6.3
69.07079	21.0
69.39167	16.1
71.04996	5.4
79.05492	27.3
81.07057	49.8
83.04992	31.5
83.08633	7.4
91.05485	36.3
93.07051	63.8
95.04965	9.4
95.08603	100.0
96.08939	3.8
97.06522	12.2
103.05434	4.1
104.91373	3.1
105.04522	3.3
105.07022	65.2
106.07347	4.3
106.20194	2.9
107.04959	4.8
107.08591	58.8
109.06542	12.3
109.10146	26.5
111.04424	16.1
111.08073	22.9
115.05490	5.8
117.06999	21.4
119.08579	68.1
120.08917	6.3
121.06506	16.9
121.10133	37.8
123.08057	33.6
123.11692	10.8
125.05991	3.9
125.09653	3.9
128.06245	8.8
129.06992	14.7
130.07791	4.3
131.08553	43.9
133.06499	4.4
133.10129	39.4
135.08040	11.8
135.11661	18.8
137.06017	7.5
137.09595	7.7
139.07558	11.0
139.39316	3.7
141.06972	8.3
141.09094	8.0
142.07797	20.3
143.08571	40.8
144.09244	4.7
145.06462	5.6
145.10109	62.2
147.08051	15.3
147.11705	33.0
149.09605	9.2
149.13249	7.6
155.07233	5.2
155.08513	27.8
156.09335	12.9
157.10129	64.2
158.10852	5.0
159.08070	15.8
159.11694	52.7
161.09624	25.6
161.13185	19.3
163.11165	9.8
165.07028	6.6
165.09079	4.6
167.08609	15.1
167.10693	3.6
168.09398	8.4
169.10138	45.6
170.10870	12.6
171.08061	13.3
171.10170	5.1
171.11658	50.3
172.12178	4.1
173.09648	19.1
173.13261	26.4
175.11206	15.9
175.14923	6.5
177.09177	6.9
178.07838	3.7
179.08566	8.0
179.10712	6.3
180.09367	5.4
181.08723	6.2
181.10135	25.0
181.12225	5.1
182.10854	9.3
183.08009	5.8
183.11720	46.5
184.12285	3.4
185.09691	16.8
185.13229	29.5
186.10179	3.9
187.11186	17.1
187.14784	16.4
189.12756	11.6
191.10672	6.7
192.09288	7.1
193.10141	17.0
193.11945	5.0
194.10863	4.0
195.11725	28.6
196.12476	9.1
197.09615	9.6
197.13300	30.4
199.11203	15.6
199.14880	22.8
201.12787	11.1
201.16405	6.7
203.10681	7.8
203.14320	5.4
205.10272	8.0
205.12254	9.4
206.10962	6.5
207.11716	14.0
208.12292	5.4
209.09718	7.3
209.13237	26.8
210.13840	5.8
211.11131	13.2
211.14813	30.0
213.09062	4.5
213.12756	15.9
213.16367	14.5
215.10789	6.0
215.14316	14.1
217.12251	4.3
217.15839	7.0
219.11685	9.1
219.13812	8.9
221.13287	17.2
221.15240	4.4
222.13904	5.0
223.11267	7.9
223.14752	22.0
224.15012	5.0
225.12837	15.7
225.16386	10.0
227.14299	12.7
227.17816	4.4
229.12294	8.3
229.15971	6.0
231.11748	6.1
231.13785	13.6
232.12445	6.6
233.13243	9.1
233.15395	19.4
235.11174	7.8
235.14815	12.2
237.12738	10.0
237.16383	13.7
239.14290	14.9
239.17940	5.7
243.13780	5.7
245.15416	10.8
247.14809	8.1
249.12726	6.1
249.16461	7.9
251.14328	14.3
251.18094	7.3
253.15921	7.9
255.13757	5.0
255.17387	4.1
257.15356	7.9
261.16437	5.9
263.14243	8.0
263.17984	8.8
265.15811	9.8
265.19223	8.0
267.13806	6.3
267.17383	6.6
269.15378	15.0
271.16953	13.5
275.14105	4.2
277.15952	6.3
279.17468	9.1
279.21387	3.8
281.18835	4.6
283.17133	5.0
283.20520	6.9
285.18457	7.3
289.15784	6.3
289.19431	4.6
291.17303	6.2
291.20880	4.2
293.19003	5.0
295.16861	5.0
297.18518	12.6
299.20020	4.9
305.18842	3.9
307.17145	7.0
307.20691	10.5
309.22025	5.2
319.20532	6.4
321.18561	4.2
323.20105	6.9
325.21472	16.4
326.21878	3.9
327.19635	3.8
327.23227	14.1
333.22366	4.3
337.21848	4.5
343.22632	5.3
351.23190	9.2
363.23215	5.6
366.25229	4.2
373.21658	6.0
383.11298	6.3
387.23047	5.6
395.29404	14.5
401.24258	4.6
401.28708	7.4
403.26559	4.2
405.27985	10.6
411.26935	4.6
419.29846	17.2
423.29129	44.0
424.29666	4.9
429.23279	28.7
429.28644	12.1
437.30405	10.9
447.24915	34.1
447.29361	23.6
465.30591	84.8
466.30618	6.7
483.25357	5.8
483.30743	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10170	2.3
55.01882	2.3
55.05507	5.5
57.02177	2.1
67.05499	8.3
69.17204	6.2
69.17625	12.1
79.05504	4.7
81.07046	7.5
83.04974	5.1
83.08610	2.8
91.05481	9.5
93.07052	9.1
95.08613	17.0
105.07045	7.5
107.08560	9.6
109.10152	5.0
117.06997	3.7
119.08563	13.1
121.06468	2.2
121.10180	7.7
123.08060	4.9
129.06984	2.7
131.08578	6.6
133.10138	6.2
135.08067	3.6
135.11685	5.0
143.08585	7.8
145.10123	9.7
147.11691	3.1
149.09656	2.8
155.08580	6.2
157.10164	9.6
159.11688	6.6
161.09612	5.7
161.13297	2.6
169.10092	7.2
171.11684	8.4
173.09700	2.7
173.13342	3.0
175.11220	3.9
181.10094	4.3
183.11707	5.5
185.09590	2.6
185.13364	4.7
195.11607	4.8
197.13298	3.3
205.12390	2.4
207.11734	4.3
209.09642	2.7
209.13234	5.8
210.13838	2.4
211.11002	2.1
211.14793	3.4
223.14876	6.7
235.14754	2.9
237.16295	3.2
239.14185	2.4
241.15903	2.2
251.17883	3.7
285.18643	2.5
307.20621	2.2
325.21521	6.6
419.29309	3.2
425.20679	6.5
429.28098	4.1
447.29117	14.2
465.30051	30.5
466.30505	2.5
483.25031	100.0
483.30862	6.6
484.25241	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63698	5.9
53.03959	6.6
55.01867	9.7
55.05511	79.6
57.03434	6.0
64.79326	7.2
64.91877	5.6
67.05514	51.5
69.03453	6.4
69.07068	29.3
70.57521	14.2
71.05000	9.4
79.05489	29.3
81.07054	57.7
83.04982	72.9
83.08629	7.0
85.06550	12.5
91.05495	48.7
93.07040	70.8
94.07379	6.3
95.04973	21.2
95.08615	100.0
96.08963	8.1
97.06525	14.5
99.04464	13.8
105.07029	73.6
106.07388	6.7
107.08602	78.4
109.06520	69.4
109.10175	32.5
111.04456	23.5
111.08090	25.4
117.07035	21.6
119.08576	74.9
121.06542	9.7
121.10143	48.5
123.08087	33.1
123.11642	7.9
125.09663	7.1
126.09996	6.5
127.07548	6.1
128.06271	7.3
129.07024	23.9
131.08591	48.7
133.06473	10.3
133.10130	60.0
135.08060	20.6
135.11720	23.6
137.06009	18.3
137.09674	7.9
138.36139	6.3
139.07555	12.8
142.07808	15.7
143.08592	49.7
144.09341	6.3
145.10126	66.3
147.08096	16.8
147.11694	35.5
149.09639	12.4
155.07027	23.3
155.08569	28.9
156.09323	12.8
157.10144	58.0
158.10619	6.6
159.08064	14.0
159.11690	53.5
161.09627	26.2
161.13292	16.4
163.11154	21.4
167.08521	12.8
168.09396	9.0
169.10118	47.7
170.10863	7.3
171.08081	16.3
171.11697	49.4
173.09683	20.5
173.13263	31.1
175.11247	20.1
175.14806	10.9
177.12700	9.1
179.08580	23.3
181.10114	29.5
181.12236	7.6
182.10915	17.5
183.08105	10.2
183.11710	39.9
184.12370	10.9
185.09639	14.6
185.13330	37.1
187.11203	18.7
187.14862	15.3
189.12749	20.3
191.10649	9.9
193.10207	13.4
193.12274	8.5
195.11739	14.4
196.12260	11.1
197.09723	15.0
197.13234	35.9
198.13843	6.6
199.11142	14.4
199.14859	14.1
201.12776	18.1
206.10928	9.2
207.11740	16.8
209.09830	7.0
209.13309	23.1
210.06769	19.1
211.11143	13.1
211.14793	27.6
213.12759	21.0
215.10757	8.7
215.14363	13.6
217.12091	11.9
219.11829	8.4
221.13351	16.0
222.13885	6.7
223.11133	7.1
223.14798	24.9
225.09138	28.0
225.12718	14.2
225.16338	13.9
227.10760	7.5
227.14250	22.1
227.17819	7.7
229.15886	10.1
229.73801	6.2
231.13857	7.8
233.15331	8.6
235.14806	14.0
237.12778	16.6
237.16399	12.0
239.07039	7.3
239.14204	12.1
240.07791	8.0
241.12263	7.9
241.15872	7.6
243.13768	7.9
245.15453	17.8
247.14699	7.4
247.16969	14.0
249.16415	10.1
251.14342	13.3
251.17955	10.4
253.08615	11.2
253.12170	8.8
255.17470	11.7
259.16904	8.8
265.15820	11.9
265.19531	7.4
268.07205	11.6
269.08072	11.8
269.15573	6.8
271.16827	6.8
273.18683	13.2
279.17365	9.2
281.18964	8.7
283.09796	11.5
283.17084	11.6
291.17487	10.2
293.15259	10.8
297.18381	11.4
307.16998	12.8
307.20499	11.0
311.09161	41.8
312.09790	14.4
313.10641	17.3
325.21570	16.2
329.24786	12.1
339.52661	8.0
343.11746	72.8
367.18649	14.7
407.21838	12.0
419.29663	9.9
429.23599	10.9
429.28656	10.3
437.30405	9.2
447.23938	46.6
447.29443	26.0
465.25330	17.3
465.29861	45.1
466.30380	13.0
478.30066	7.6
483.30792	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3469
Annotation	Oncostemonol E
Peak:m/z	Relative Intensity
55.05513	31.2
64.85253	3.6
67.05508	25.3
69.07077	27.1
70.33422	3.4
70.33784	11.6
73.06548	11.8
78.36005	3.8
79.05507	10.9
81.07056	32.7
83.04978	8.6
83.08620	11.8
91.01971	3.4
91.05485	12.4
93.07041	35.5
95.04996	5.8
95.08614	86.8
97.06541	8.4
97.10158	8.2
105.07043	28.1
107.08585	45.2
109.06525	3.5
109.10168	42.1
111.08079	7.5
113.06013	3.4
115.07590	25.0
117.07074	5.1
118.28086	4.1
119.08582	43.0
121.10143	54.2
123.08065	19.3
123.11717	12.3
125.09603	6.9
129.07072	5.1
129.09178	5.6
131.08588	22.0
133.10089	29.1
135.07985	4.0
135.11674	16.8
137.09651	5.5
139.07533	4.5
141.09088	17.1
143.08562	10.6
143.10696	4.5
145.10112	31.1
147.08105	4.9
147.11703	19.8
149.09625	12.4
149.13275	10.6
156.09363	4.2
157.10107	23.7
159.08002	4.3
159.11703	36.4
159.44971	4.0
161.09651	10.0
161.13272	12.8
163.11240	10.7
163.14906	5.3
169.10172	10.9
171.11702	35.1
173.09657	9.1
173.13252	29.3
175.14836	10.8
181.12195	16.4
183.11719	8.6
185.09616	4.5
185.13231	18.7
187.11241	8.8
187.14882	13.8
189.12651	5.1
191.14430	5.4
195.11728	5.7
195.13832	6.1
197.13240	6.4
199.11171	5.9
199.14819	13.6
201.12746	8.6
201.16391	4.5
207.13838	5.4
209.13248	5.9
211.14841	12.2
213.12764	10.1
213.16428	14.8
215.14359	6.1
219.13820	8.3
221.15334	7.3
223.14809	4.6
225.16409	7.5
227.14308	9.8
227.17917	8.0
229.15964	4.0
233.15398	10.6
237.16434	4.1
241.15894	10.1
243.17410	4.1
245.15472	5.0
247.17041	4.3
249.18617	6.2
253.15799	5.2
255.17377	8.3
257.15344	5.2
261.18463	9.2
265.15836	4.9
269.19183	5.4
273.18591	4.1
275.20117	4.3
281.19098	4.5
287.19937	17.1
289.21573	6.2
295.20425	4.2
299.20212	4.4
301.21646	21.7
313.21558	6.5
315.23267	15.7
327.23145	10.0
329.25021	5.4
339.23309	4.2
341.24619	6.9
355.26422	9.8
401.26929	19.6
405.31516	4.8
409.31299	5.3
415.29538	5.3
423.28839	4.6
427.28314	5.6
433.31097	16.6
437.34042	8.0
451.32132	8.3
465.33783	22.1
483.34671	100.0
484.34885	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01873	2.6
55.05509	35.2
57.03440	1.9
57.07073	5.8
65.03938	1.9
67.05505	37.2
69.03445	2.3
69.07067	31.3
69.09657	15.9
70.06580	1.7
73.06560	10.3
79.05495	19.7
81.07056	43.0
83.04994	5.3
83.08617	16.3
83.95255	1.7
85.06538	4.4
88.07626	2.1
91.05477	26.4
91.06007	2.3
93.07040	46.9
95.04980	6.1
95.08606	100.0
95.19126	1.5
97.06523	8.5
97.10170	7.9
99.08074	3.0
102.09158	2.9
103.23196	2.1
105.06436	1.4
105.07026	44.5
107.08593	62.2
109.06512	8.1
109.10152	41.5
111.08085	8.7
113.06023	5.9
115.07567	22.5
117.07024	8.0
119.08582	60.5
121.06516	3.4
121.10144	49.9
123.08076	21.3
123.11710	12.7
124.08453	1.9
125.09624	5.4
128.06252	3.8
129.07011	5.5
129.09143	4.0
131.08575	27.8
133.10130	39.9
135.08057	4.6
135.11703	17.1
137.09613	5.4
137.13254	2.5
139.07579	3.1
139.11218	2.0
141.09070	12.0
142.07780	4.1
143.08557	16.1
143.10687	4.4
144.09357	5.7
145.10124	40.0
147.08049	4.4
147.11682	25.2
149.09598	11.7
149.13269	8.1
155.08562	5.6
155.10583	2.9
156.09343	8.1
157.10123	32.9
158.10814	4.3
159.08086	3.9
159.11690	40.3
161.09598	8.5
161.13257	17.3
163.11174	6.9
163.14824	4.1
167.08536	2.1
167.10677	2.6
169.10162	13.2
170.10872	3.2
171.11679	40.8
173.09612	11.4
173.13268	33.5
175.11205	7.5
175.14845	8.2
177.12737	2.5
181.10135	3.1
181.12277	12.0
182.10956	2.8
183.11734	15.3
183.13280	2.4
184.12555	2.8
185.13237	28.0
186.09521	1.9
187.11182	9.9
187.14818	21.4
189.12900	4.3
189.16391	5.0
191.14359	2.4
193.12250	1.8
195.11719	5.5
195.13814	7.6
196.12437	2.3
197.13248	12.0
198.13814	2.2
199.11218	6.8
199.14780	14.9
200.20160	5.1
201.12791	7.4
201.16408	7.2
203.14342	5.3
205.12309	5.6
207.11786	4.0
207.13782	2.4
209.13283	5.7
211.11238	3.4
211.14799	14.1
213.12775	12.3
213.16356	15.5
215.14330	6.0
215.17923	3.3
217.15840	2.3
219.13692	3.6
221.13347	4.1
221.15350	3.5
222.13901	1.9
223.14845	6.1
225.12817	5.5
225.16272	3.9
227.14310	6.7
227.18004	5.8
228.23299	5.1
229.15868	6.3
231.13803	3.3
233.15381	8.4
235.14847	2.4
235.16895	4.3
237.16406	4.1
239.14296	3.3
239.17896	3.5
241.15903	6.1
241.19432	2.3
243.13789	2.3
245.15356	2.5
247.16922	7.6
249.16371	3.6
249.18587	2.7
251.14253	2.2
251.17757	2.4
253.15916	2.3
253.19469	2.9
255.17496	6.5
257.15271	3.7
259.17026	3.2
261.18570	10.0
265.15945	4.0
265.19656	2.9
267.17529	2.1
271.16818	3.9
273.18561	4.5
274.38492	1.9
275.20126	2.7
279.17484	3.0
281.18927	3.4
283.20538	2.6
283.26349	3.4
285.18613	4.4
287.20065	20.5
289.21725	4.3
293.19153	2.7
295.20462	2.3
297.18790	2.9
299.20062	3.9
301.21646	15.6
303.23300	2.6
307.20480	4.8
309.22275	3.5
311.29501	3.1
313.21674	7.7
315.23242	8.0
327.23230	4.8
329.24710	2.5
337.25211	3.8
341.24832	5.9
351.23160	2.3
355.26318	5.7
367.26404	2.4
369.27811	5.7
373.24976	3.5
387.25217	2.2
391.26120	6.9
401.26840	16.1
405.31757	3.7
409.27289	6.1
415.29477	4.0
427.28516	3.2
433.31021	14.8
437.34113	4.0
447.32730	2.9
451.32086	5.7
465.33722	17.1
483.34659	80.4
484.35095	9.4
484.47012	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3469
Annotation	Complanadine A
Peak:m/z	Relative Intensity
53.03967	7.3
55.05508	30.2
57.07079	19.1
63.33934	8.7
67.05509	47.4
69.06052	80.9
69.07072	39.9
69.85789	7.6
73.80096	7.3
75.10699	7.6
79.05495	30.1
79.99315	7.9
81.07059	66.5
82.43232	8.1
83.05002	15.4
83.08607	16.2
88.07650	13.0
89.06038	39.5
91.05482	32.2
93.07035	62.1
95.04981	13.6
95.08614	100.0
97.06542	18.7
105.07034	63.5
107.08608	61.7
109.06541	10.1
109.10172	45.1
117.07023	13.0
119.08579	89.2
121.06512	12.7
121.10142	55.1
123.08097	22.0
123.11689	19.4
131.08586	44.3
133.06485	10.1
133.08614	19.2
133.10120	67.5
135.08052	10.6
135.11694	28.9
136.74269	7.9
143.08565	21.2
145.10165	53.1
147.08087	12.6
147.11646	42.9
149.09624	10.3
149.13306	17.3
157.10172	23.5
159.11667	41.3
160.71661	8.2
161.09650	17.4
161.13254	53.6
171.11731	25.3
173.09587	18.4
173.13287	37.3
175.11058	15.7
175.14836	24.0
177.11305	9.8
179.60451	7.6
181.12209	9.6
183.11739	9.8
185.13287	28.5
187.14789	15.8
189.16397	15.6
197.13243	13.2
199.14842	11.3
200.20204	11.7
201.56520	9.1
211.14864	9.1
217.15887	11.7
228.23248	17.9
230.66556	8.3
233.15398	19.1
235.16968	24.9
247.16968	31.7
249.18443	20.4
261.18625	17.1
284.17825	12.2
308.00415	8.5
437.34262	10.8
483.34756	60.8
484.47476	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.9
55.01875	2.8
55.05512	24.3
57.07063	4.5
65.03947	1.8
67.05506	27.2
67.05833	2.5
69.03433	2.2
69.07071	29.6
71.05002	2.1
71.08636	2.5
72.66337	1.9
73.06556	5.4
77.03912	1.9
79.05497	16.8
81.07067	31.7
83.04988	9.4
83.08634	9.6
85.06551	3.6
89.06055	3.9
91.05484	23.8
93.07042	32.4
95.04974	6.8
95.08607	70.1
97.06503	9.7
97.10171	8.9
98.23372	4.8
99.08079	2.8
105.07034	43.3
107.08597	44.6
109.06537	7.4
109.10153	28.5
111.08093	6.0
113.06020	5.4
115.07578	7.0
117.07047	5.4
119.08584	62.0
121.06521	4.3
121.10145	47.7
123.08077	10.9
123.11691	12.6
125.09657	5.9
128.06195	2.3
129.07033	4.4
129.09140	8.0
131.08557	14.0
133.10130	100.0
134.10509	5.3
135.08063	3.9
135.11684	20.1
137.09648	3.7
137.13289	3.3
139.07587	3.3
141.09125	5.6
142.07773	3.0
143.08531	10.7
145.10109	27.8
147.08179	4.3
147.11691	47.2
149.09627	5.3
149.13286	3.0
151.11250	2.1
155.08577	3.0
155.10719	3.6
157.10118	14.1
157.12180	4.6
159.08055	2.8
159.11685	22.6
160.12155	3.2
161.09659	17.3
161.13271	24.8
163.11227	5.5
163.14816	4.0
169.10159	5.7
171.11697	13.0
173.09660	6.0
173.13257	19.4
175.11200	62.5
175.14821	24.3
176.11504	2.4
177.11320	1.8
181.12241	4.0
183.11653	2.4
185.13284	9.1
187.11203	5.2
187.14789	12.0
189.12762	4.6
189.16435	9.9
193.12286	6.7
195.11774	2.4
195.13770	2.8
197.13330	4.9
199.14839	8.9
201.12718	3.2
201.16373	6.7
203.14275	6.3
205.12297	2.5
209.13330	3.3
211.14882	2.1
213.12703	2.0
213.16321	3.2
215.14334	6.9
217.15891	9.1
219.13860	4.0
221.15413	5.1
227.14430	3.7
227.17932	2.5
229.15950	5.2
231.13904	2.3
233.15392	5.2
235.16945	10.1
237.16451	2.1
241.19832	1.9
245.15440	2.2
247.17012	12.1
249.18530	16.9
261.18674	6.3
263.20285	2.7
309.22040	2.5
325.83276	2.3
327.23230	4.3
380.79031	2.1
427.28683	3.0
433.31113	2.6
437.34479	2.9
483.23999	4.3
483.34576	17.6
497.74521	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11183	0.6
53.03924	1.9
55.01854	0.8
55.05511	10.8
57.07075	3.7
64.26737	0.7
65.03940	1.2
67.05505	8.4
69.03419	2.9
69.07067	18.3
71.08626	1.2
73.06560	2.6
73.98876	0.7
79.05492	20.4
81.07057	29.2
82.07372	0.7
82.85067	0.7
83.04976	1.7
83.08619	8.0
85.06537	1.8
91.05471	12.3
93.07039	32.5
94.07367	0.7
95.04964	2.8
95.08603	29.5
96.08953	0.7
97.06544	3.5
97.10146	3.8
98.23373	1.6
99.08084	2.1
105.06367	1.5
105.07028	15.6
107.08589	73.7
108.08920	2.3
109.06520	3.7
109.10152	14.9
111.08091	5.0
115.05390	0.9
115.07588	3.9
117.07031	2.2
119.08572	15.3
121.10139	35.2
123.08049	2.6
123.11715	7.4
125.09650	5.2
129.06946	1.5
129.09084	2.1
130.07773	0.9
130.62143	0.7
131.08562	6.9
133.10121	14.2
135.08058	2.2
135.11688	14.9
137.09596	1.3
137.13208	3.5
139.11160	2.1
142.07777	1.0
143.08557	4.5
145.10106	8.6
147.08046	1.4
147.11688	16.1
149.09555	3.9
149.13249	14.6
151.11136	1.2
153.09114	0.8
155.08565	1.0
157.10147	7.9
157.12222	2.6
159.08104	0.8
159.11684	9.8
160.12207	0.8
161.09605	2.7
161.13287	5.0
161.23685	0.7
163.11189	3.4
163.14813	100.0
164.15181	4.0
167.10722	0.9
169.10094	1.5
170.10890	0.9
171.11684	4.4
173.09625	1.7
173.13255	7.4
175.11168	8.7
175.14787	4.9
177.12723	2.8
177.16293	0.8
181.10162	0.7
181.12239	1.7
183.11674	1.5
185.09625	1.6
185.13254	3.7
187.14821	5.0
189.12726	3.1
189.16397	3.0
191.14217	1.0
191.17964	2.5
193.12225	2.0
199.11160	0.8
199.14807	5.8
201.12741	1.6
201.16397	3.0
203.01033	7.9
203.14403	1.0
203.17986	0.8
209.15234	1.3
213.12775	1.3
213.16408	3.1
215.14276	0.8
215.17883	1.4
217.15817	4.6
219.17375	1.2
223.14830	1.0
223.16856	1.0
227.14339	1.4
227.17931	1.3
229.19563	1.5
229.22556	0.8
231.17474	1.4
233.15428	0.9
235.16942	1.1
237.18486	0.8
241.15889	2.2
241.19547	0.9
245.15428	1.2
247.16937	1.3
247.20491	4.3
249.18445	4.3
259.16882	3.9
263.19995	0.9
267.17670	0.8
273.22134	0.8
275.20087	0.7
283.20532	3.0
287.20007	0.9
291.19489	0.8
301.21704	2.9
315.23172	6.6
333.24292	3.9
465.37271	1.7
483.28558	12.5
483.38892	5.5
484.28894	1.3
484.46930	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.2
57.03441	5.1
57.07082	2.9
67.05502	5.8
69.03429	9.3
69.24198	19.9
71.04980	3.4
72.50591	3.0
73.02903	7.1
79.05482	8.0
81.07060	100.0
85.02894	30.6
95.08611	41.6
97.02887	10.7
114.82317	2.9
115.03924	6.8
127.03901	10.4
133.04955	11.8
137.13252	56.9
138.05112	3.0
145.04961	8.8
155.14264	3.1
163.06039	9.8
168.58093	2.7
259.08136	4.9
295.10318	3.8
485.19492	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.3
55.01867	3.5
55.05497	2.0
55.76094	0.8
57.03445	6.9
58.19918	0.7
59.04995	2.4
59.46665	0.7
60.08151	1.3
60.55136	0.8
61.02925	3.8
62.32201	0.7
67.05510	2.2
69.03429	9.0
69.07072	6.0
71.04993	1.0
71.08633	46.7
71.30918	1.6
73.02916	11.7
79.05491	1.5
81.03422	1.9
81.07056	2.6
85.02906	19.5
86.09689	4.4
87.04483	1.5
91.05474	1.3
93.07072	1.1
95.04911	1.1
95.08592	1.1
97.02901	14.1
97.06538	0.9
99.04411	1.2
99.08095	100.0
100.08443	2.4
103.03896	0.9
104.10742	1.1
105.07039	1.3
107.08574	1.9
109.02896	2.2
109.10152	1.5
115.03943	7.0
125.00001	3.4
127.03931	6.1
129.12759	13.0
133.04973	6.3
137.06027	0.8
145.05043	4.6
145.10127	1.5
155.08556	35.3
155.14296	3.2
156.08905	1.4
163.06027	2.6
163.11197	1.5
171.84682	0.9
173.15381	66.4
173.49544	0.9
174.15736	2.8
184.07367	11.7
223.05968	1.0
241.07207	1.4
255.15878	2.0
339.04877	1.0
485.10681	1.6
485.18570	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.2
57.03441	5.1
57.07082	2.9
67.05502	5.8
69.03429	9.3
69.24198	19.9
71.04980	3.4
72.50591	3.0
73.02903	7.1
79.05482	8.0
81.07060	100.0
85.02894	30.6
95.08611	41.6
97.02887	10.7
114.82317	2.9
115.03924	6.8
127.03901	10.4
133.04955	11.8
137.13252	56.9
138.05112	3.0
145.04961	8.8
155.14264	3.1
163.06039	9.8
168.58093	2.7
259.08136	4.9
295.10318	3.8
485.19492	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.9
55.05518	36.7
57.07071	22.7
67.05511	35.5
69.07057	17.1
71.08624	16.7
71.32224	9.6
71.86771	5.4
77.52383	5.8
79.05471	23.5
81.07053	56.0
83.04996	42.7
83.08614	12.2
85.10171	12.9
89.06037	27.3
90.06388	5.7
91.05487	28.5
91.42387	5.3
93.07037	55.7
95.05003	7.9
95.08607	100.0
97.06541	9.4
97.10160	5.4
99.04447	5.9
105.07036	53.7
107.08597	55.4
109.06554	7.5
109.10127	41.9
111.08091	12.8
117.07011	14.4
119.08579	71.6
121.10141	42.5
123.08035	14.0
123.11732	9.7
129.07019	10.6
131.08574	34.1
132.08824	5.7
133.08594	11.1
133.10118	69.3
135.08055	10.0
135.11674	27.8
141.09061	7.0
142.07831	10.5
143.08569	28.9
145.10121	46.0
146.10515	7.9
147.08041	13.2
147.11668	31.9
149.09645	7.7
149.13226	10.9
153.09241	5.4
154.83041	5.9
155.08527	10.8
156.09375	6.7
157.10100	42.4
158.78246	5.7
159.08044	13.1
159.11691	54.0
161.09616	17.5
161.13254	20.0
163.11115	6.2
163.14845	10.4
165.09117	6.4
169.10081	18.4
171.11682	21.8
173.09622	12.1
173.13229	28.5
175.11151	13.4
175.14819	14.8
177.12653	5.3
181.12299	5.9
183.11673	12.9
185.09651	11.3
185.13177	26.0
187.11252	11.7
187.14835	24.7
193.12283	5.7
195.11856	7.7
197.13303	10.1
199.11147	7.3
199.14801	10.2
201.12830	16.5
201.16377	6.2
203.14290	7.6
205.12289	7.1
209.13286	6.2
211.14864	18.1
213.16374	10.8
215.14299	17.3
219.13840	7.6
227.14368	8.4
229.15959	11.3
233.15358	13.6
235.14767	5.8
245.15353	10.1
247.17125	12.6
259.16925	6.6
267.17328	10.5
273.18494	23.2
284.17868	7.9
285.18332	13.6
291.21011	6.0
297.18423	7.9
307.20502	12.9
309.22147	10.6
323.95798	6.8
327.23126	22.6
335.23520	6.6
403.29941	8.9
421.31406	8.6
431.29517	35.5
449.30420	45.1
467.31799	41.9
468.31635	6.5
484.35526	13.0
484.46997	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73027	0.9
53.03936	3.1
54.14475	0.9
55.01861	1.8
55.05512	11.8
56.05845	1.4
57.07076	1.6
59.04994	1.1
60.96493	0.8
65.03934	2.3
66.25028	0.8
67.05505	10.9
69.03422	2.5
69.07072	8.4
71.04986	1.0
71.08630	1.2
73.06575	0.8
79.05499	6.8
81.07053	15.4
83.04974	9.4
83.08623	4.0
84.05309	2.1
85.06535	2.2
86.60164	1.0
91.05479	49.6
93.07043	16.6
93.99503	0.9
95.04973	3.3
95.08604	30.9
97.06542	2.7
97.10199	1.9
99.04473	2.0
99.08060	1.0
104.06266	4.1
105.03417	3.0
105.07028	23.5
107.08591	21.0
107.28876	0.8
109.06525	3.9
109.10139	14.1
111.04436	1.9
111.08069	5.1
117.07007	3.4
119.08577	18.4
121.06542	2.4
121.10147	13.1
123.08070	5.5
123.11739	4.5
125.09663	2.6
129.07034	1.6
131.08574	10.0
133.10126	100.0
135.08066	2.6
135.11710	5.6
137.05975	1.9
137.09624	1.8
137.13266	1.4
139.07550	2.2
139.11180	1.2
141.09128	1.8
142.07793	1.8
143.08560	9.1
145.10115	11.5
147.08015	5.9
147.11707	11.4
149.09598	1.9
149.13243	1.8
151.11119	0.9
153.09093	1.0
155.08574	2.5
157.10123	10.4
159.08070	2.2
159.11700	12.5
160.12419	1.1
161.09634	6.9
161.13248	6.6
163.11200	2.8
163.14861	1.3
165.12741	5.1
169.10165	5.4
170.10922	1.1
171.08047	1.0
171.11691	8.7
172.12311	1.1
173.09630	2.4
173.13260	8.6
175.11176	5.3
175.14859	3.4
177.09113	1.4
177.12778	1.4
179.08458	1.2
179.10605	1.6
181.10098	1.6
181.12292	1.1
183.11696	4.9
185.09579	1.7
185.13197	5.4
187.11217	2.6
187.14857	3.6
189.12752	2.4
189.16362	1.9
191.10625	1.5
193.12308	0.9
195.11647	2.5
197.13301	3.9
198.14134	0.9
199.11160	1.4
199.14801	5.8
201.12750	5.0
201.16324	1.6
203.14288	3.0
205.12155	1.0
207.11746	1.8
209.13249	2.6
211.14856	2.8
213.12772	3.1
213.16388	3.3
215.14311	5.3
217.12196	1.0
217.15880	1.7
219.13802	2.9
221.15320	2.0
223.14850	2.2
225.12874	1.3
225.16405	2.1
227.14363	2.7
229.15903	3.3
231.13795	2.2
231.17409	1.3
233.15361	5.8
235.16953	1.6
237.16371	1.2
239.14401	1.2
239.18141	1.1
239.46301	1.0
241.15791	1.5
245.15410	3.4
247.16960	5.4
249.18494	2.4
253.15929	1.5
253.19354	1.1
259.17056	2.3
265.15939	1.3
267.17392	1.7
271.20599	0.8
273.18594	3.8
283.20639	1.5
291.21060	1.8
299.20142	1.4
309.22125	2.8
315.23187	1.7
325.21744	1.6
327.23267	5.4
332.28589	0.9
389.24597	1.6
403.30087	1.5
407.25348	1.5
421.31006	1.2
431.29453	8.3
435.32718	1.4
449.30386	9.6
450.30896	1.6
467.31024	10.1
484.24039	1.3
485.36557	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.9
55.16901	4.4
64.99632	5.0
65.96964	4.7
67.05516	10.9
69.32565	17.1
69.32970	15.8
70.57698	4.9
80.82107	6.0
81.07068	8.9
83.04988	12.7
91.05512	5.1
93.07054	13.1
95.08605	27.7
98.22930	18.5
105.07008	13.9
107.08607	16.2
109.10207	8.0
119.08549	18.5
119.97730	5.2
121.10101	10.1
133.10156	5.3
143.08510	8.0
145.10118	9.6
155.08546	7.9
157.10097	12.5
159.11665	14.9
169.10147	14.3
171.11674	15.2
176.78113	4.9
183.11681	7.2
195.11734	6.3
197.13272	8.0
198.42410	4.6
209.13269	10.3
211.14787	9.1
223.14874	12.5
253.16055	8.0
255.17407	8.6
309.22153	24.2
343.11850	7.2
344.12106	7.3
363.23196	6.4
380.54907	6.6
396.48590	5.3
405.37027	5.3
431.29364	20.4
449.30463	100.0
450.30927	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	21.2
57.38526	5.7
65.50207	5.0
67.05501	15.1
69.07065	17.0
69.76001	5.2
70.42928	4.8
79.05481	11.1
81.07056	22.0
83.04984	15.7
83.08595	6.3
91.05479	17.0
93.07048	24.2
95.08617	42.9
96.08991	7.6
97.06522	6.2
98.22575	14.2
105.07033	23.9
107.08586	21.2
109.06548	7.5
109.10155	14.5
111.08102	8.1
117.07011	6.8
119.08617	24.7
120.08923	9.1
121.06502	7.8
121.10153	20.4
123.08065	20.0
123.11718	8.5
125.09594	6.3
131.08565	16.3
133.10126	19.7
135.11688	11.7
143.08533	11.0
145.10101	30.3
146.10515	8.3
147.11674	12.5
155.08662	8.1
157.10101	20.8
158.10468	6.9
159.11684	16.3
160.12047	6.4
161.09610	6.4
161.13234	10.8
169.10132	8.5
171.11693	18.9
172.12022	5.4
173.09605	10.5
173.13271	7.4
183.11723	11.6
185.13217	6.1
189.12775	8.7
197.13274	10.3
209.13266	6.4
211.14667	5.9
211.39700	6.3
227.26877	5.5
229.19577	7.5
283.20584	9.7
307.20474	9.0
312.26056	8.4
351.34268	6.4
389.28262	10.3
420.29861	8.5
448.28940	10.1
449.30536	100.0
450.30884	6.6
466.30145	11.0
467.31494	38.9
484.31128	20.8
507.91101	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50460	1.9
51.74804	1.9
55.05509	2.9
65.50608	1.6
67.05520	3.0
69.00279	17.6
69.00685	3.6
69.13528	1.7
73.00047	2.0
74.87444	2.0
81.07058	2.6
83.04982	7.1
91.05480	52.3
93.07048	7.8
95.04955	2.0
95.08595	12.5
98.23169	8.5
104.06246	4.6
105.07038	16.0
105.26513	1.8
107.08613	7.2
109.10136	2.9
109.22173	1.9
111.04446	5.1
111.08101	4.1
117.07049	2.0
119.08600	8.7
121.10148	4.6
123.08078	3.1
129.06990	2.5
131.08563	3.7
133.10130	100.0
135.11725	3.7
139.07542	3.1
142.07767	2.2
143.08539	3.2
145.10132	5.9
145.73141	1.8
147.08014	3.7
147.11665	3.7
155.08577	3.2
157.10153	6.9
159.11697	5.5
161.09723	2.2
169.10114	5.7
171.11716	7.1
173.13242	2.9
175.11186	2.1
183.11708	5.2
185.13249	6.2
187.14778	3.1
189.12810	4.3
195.11581	2.7
197.13248	3.9
199.14854	2.2
209.13266	4.7
211.11037	2.3
211.14900	4.7
213.16335	2.9
215.14316	2.5
223.14928	2.5
225.16437	2.2
235.14957	2.7
237.16362	2.9
251.17859	3.4
255.17480	3.3
273.18753	2.6
353.24832	2.5
365.09830	2.0
368.26892	2.4
407.29645	11.0
413.28448	2.0
421.30853	4.5
431.29456	24.4
449.30496	39.5
450.31329	3.4
467.31537	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.163
Annotation	Rubinaphthin B
Peak:m/z	Relative Intensity
52.94858	0.3
59.09563	0.2
70.06579	0.3
70.24806	0.3
71.29169	0.4
77.43540	0.3
91.05453	0.3
105.82029	0.3
123.04454	0.6
137.06006	0.3
139.03973	0.4
157.45105	0.3
163.03880	0.3
246.79385	0.3
315.33618	0.3
323.11142	1.2
485.16293	100.0
486.16617	6.5
486.23434	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
55.01871	2.3
55.05514	59.5
56.05864	1.9
59.05004	3.0
65.03939	2.2
67.05509	6.8
69.03428	3.9
69.07073	3.7
70.70924	2.0
71.05012	1.6
75.04475	2.4
75.30979	1.2
76.98294	1.3
77.03918	1.3
79.05488	7.1
81.07059	5.7
83.04982	77.3
84.44053	1.1
85.06554	1.6
87.04471	4.7
87.83623	1.2
91.05486	16.9
93.07039	12.2
95.04977	5.3
95.08599	11.8
97.06557	2.1
99.04433	3.3
99.08205	1.1
103.05449	3.1
104.06258	3.4
104.95969	1.2
105.07042	11.0
107.08582	9.0
109.06533	5.2
109.10146	3.6
111.04434	1.8
111.08080	5.1
113.31348	1.1
115.03909	3.7
115.05414	6.5
117.07051	7.8
119.04951	18.0
119.08584	15.0
120.08933	1.7
121.06509	13.7
121.10143	5.7
123.08060	4.0
124.00383	1.2
125.05995	1.5
128.06261	2.2
129.06985	3.7
129.53209	1.1
131.08569	5.8
132.05714	38.9
133.06453	2.4
133.10127	6.1
134.07306	2.7
134.10384	1.2
135.08041	4.0
135.11684	1.7
137.05977	2.2
139.07558	2.6
141.07001	1.4
142.07875	1.7
143.08563	5.1
145.06456	2.6
145.10152	8.6
146.07188	1.4
147.08043	22.8
147.11670	3.6
149.06000	4.1
149.09605	3.0
149.13266	2.2
152.06282	1.8
153.07005	1.6
155.08493	2.6
157.06517	1.6
157.10117	5.8
159.08020	2.7
159.11723	3.8
160.05193	4.0
161.05965	2.1
161.09668	3.8
161.13388	1.4
163.07529	1.9
164.08330	2.9
165.07018	4.1
165.09076	2.2
166.07762	2.3
167.08549	3.2
169.10181	3.0
171.08102	2.0
171.11719	4.7
173.09592	3.4
173.13240	3.4
175.07526	9.8
177.05437	2.6
177.09081	1.6
179.08669	2.2
179.10686	12.3
180.09401	2.0
181.06528	2.1
181.08676	1.7
181.10188	2.9
182.10941	1.6
182.12569	1.5
183.08084	3.0
183.11699	2.2
185.09612	2.6
185.13284	2.3
187.11194	2.3
189.09157	1.6
192.07782	3.4
192.09364	2.2
193.06374	1.4
193.10182	2.6
194.07275	1.4
195.06512	3.9
195.08139	3.0
195.11742	3.3
197.06018	2.0
197.09621	2.8
197.13272	2.2
199.07646	2.3
201.09134	1.6
201.12845	2.1
205.06531	1.8
206.07172	1.4
207.10158	100.0
208.10623	3.5
209.05774	1.7
209.09618	4.9
209.13179	2.4
210.06693	2.1
210.10275	1.6
211.07568	2.7
211.11131	1.7
211.14833	1.7
212.04779	1.4
213.05406	2.4
213.09145	1.3
219.08052	4.0
219.10046	1.9
221.05954	2.0
222.06750	2.5
223.07544	4.6
223.11218	2.3
225.05455	1.8
225.09241	2.3
225.11111	2.8
227.07005	1.6
228.07629	1.4
233.06015	2.0
235.07510	2.2
235.11307	1.9
236.08304	1.9
237.05482	2.6
237.09099	2.5
237.12778	2.2
239.03429	3.1
239.07054	4.2
239.10516	1.5
240.04265	2.1
240.07739	1.5
243.06435	1.8
247.07463	2.3
250.06255	4.9
251.07008	10.6
252.04337	1.7
252.07721	1.7
253.04950	5.5
253.08600	3.5
254.05675	3.6
254.09476	2.0
255.10143	2.7
257.04529	1.6
257.07990	2.2
261.05551	1.6
263.06921	2.6
263.14288	2.0
263.17862	1.6
264.07883	3.6
265.05859	1.6
265.08566	8.9
266.05716	2.2
266.09308	3.5
267.06561	8.8
267.09839	2.6
268.07297	3.5
269.04471	2.7
269.08041	3.1
271.05981	2.9
276.07965	2.3
277.04910	2.0
277.08691	2.4
278.05679	2.6
278.09222	1.8
279.06534	7.7
279.10019	2.4
280.07199	3.3
281.04654	2.8
281.08072	6.5
282.05243	2.1
282.08749	3.3
283.06021	3.7
283.09680	5.1
284.06674	2.3
285.07654	3.3
287.05627	2.6
291.06549	1.9
291.17575	1.3
292.07291	2.6
293.08124	12.2
294.08859	5.1
295.06058	3.1
295.09598	3.2
296.06763	4.1
297.07703	4.0
297.11179	5.4
298.08469	1.9
299.05563	4.8
299.08810	1.6
300.05792	1.4
301.07065	9.3
304.07428	1.4
307.09525	1.9
308.10229	2.0
309.07547	5.2
309.11227	5.9
310.08386	3.8
311.09125	19.4
311.16360	2.1
313.07071	7.1
313.10501	3.1
314.07858	9.6
315.08630	3.3
319.05939	1.8
321.07596	6.0
322.08176	2.4
323.05368	2.1
323.09109	2.8
324.09897	1.8
325.10596	11.7
327.08704	3.1
327.12250	2.4
328.09381	6.4
329.06458	2.1
329.10220	2.6
335.09241	4.2
336.09985	4.4
337.06943	4.3
337.10571	4.4
338.07779	2.9
339.12122	2.9
340.09283	4.1
341.10214	6.3
342.10916	2.7
343.11755	5.7
349.10855	1.6
352.09299	2.8
353.10205	10.5
354.10944	4.2
355.11844	9.1
357.13226	13.2
367.11667	17.1
368.12115	1.8
373.12708	3.1
385.12845	22.5
397.12762	3.5
398.13339	2.6
403.22479	1.7
413.21048	3.3
431.21741	8.0
449.22900	12.4
455.17059	2.0
467.24335	4.3
485.17377	6.6
485.25299	8.4
485.32422	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.3
55.01869	1.7
55.05514	63.9
56.05852	1.8
57.03435	2.3
59.04997	2.9
59.93023	1.0
61.82883	1.1
65.03949	1.2
67.05505	6.5
69.03423	2.0
69.07051	2.6
71.30767	2.4
73.49892	1.1
75.04484	2.1
79.05510	5.6
81.07055	5.4
83.04984	71.2
83.08648	1.3
84.05309	2.2
87.04488	4.0
91.05475	14.8
92.05769	1.5
93.07040	10.0
93.07440	0.9
95.04980	2.0
95.08616	9.8
96.08956	3.2
97.06537	1.9
99.04454	1.8
101.06033	3.1
104.06231	5.7
105.07022	10.6
106.07367	1.8
107.08588	8.4
108.08935	2.4
109.06557	3.0
109.10177	3.7
109.78374	1.1
110.10500	1.3
111.04431	1.0
111.08083	2.5
113.06096	1.4
115.03936	4.2
115.05457	6.2
116.06225	1.2
117.07013	6.9
119.04949	18.2
119.05833	1.8
119.06139	2.1
119.08591	15.1
120.08942	2.8
121.06528	8.1
121.10151	6.9
122.10419	1.4
123.04449	1.1
123.08057	3.4
123.11710	1.5
127.03929	1.4
128.06273	1.5
129.07054	2.4
131.04991	1.2
131.08595	4.1
132.05714	42.4
132.08931	1.5
133.06503	3.3
133.10121	4.8
134.07260	1.7
134.10468	2.0
135.08075	1.4
135.11720	2.4
139.03900	1.4
139.07544	1.6
140.07954	1.2
141.07050	2.1
142.07768	2.0
143.08559	3.4
145.06538	1.9
145.10118	6.4
146.10463	2.0
147.08040	20.5
147.11691	2.1
148.12067	1.7
149.05962	3.4
149.09538	2.7
151.03923	1.8
155.08626	2.1
156.09056	1.9
157.10146	4.0
158.10515	2.1
159.08160	1.7
159.11716	2.8
160.05240	2.5
160.12195	1.6
161.06007	1.3
161.09625	2.4
161.13304	2.3
164.08368	2.3
165.06996	2.7
165.09138	1.8
167.08583	1.6
167.47365	1.1
169.10158	3.1
171.08159	1.2
171.11656	4.1
172.12009	2.4
173.09570	2.2
173.13280	1.7
175.07536	6.6
175.11192	1.1
176.08365	2.3
177.05492	2.6
177.06956	1.8
179.10680	14.1
180.09030	1.5
181.06462	1.6
181.10088	2.1
181.12312	1.8
182.12621	2.0
183.11726	3.6
184.05219	1.4
184.12016	1.6
185.09671	1.7
185.13193	1.5
186.13521	2.1
187.07538	1.8
187.11227	1.6
191.08665	1.9
192.07809	3.1
193.06433	1.3
193.10161	1.4
194.07349	1.8
195.06560	2.3
195.08150	2.0
195.11629	1.6
196.12033	1.3
197.05983	2.3
198.13608	1.3
199.07596	1.5
199.11198	1.4
201.12737	1.4
203.97322	1.3
207.10167	100.0
208.10536	4.2
208.12340	1.6
209.09671	1.9
209.13127	1.9
210.10365	1.6
210.13649	1.9
211.03961	1.4
211.07521	2.3
211.90767	1.1
212.04607	2.5
213.05450	1.6
213.12769	1.5
213.16409	1.6
219.08171	2.5
219.09995	1.8
221.06133	2.1
222.06636	1.5
223.07501	2.4
223.11241	1.5
223.14729	2.4
225.05472	1.8
225.09120	2.4
225.11241	3.6
225.16234	1.9
226.06328	1.8
226.09782	1.4
227.06960	1.4
227.14563	1.2
233.06107	1.5
234.13974	1.2
235.07605	2.5
237.05475	3.7
237.09137	3.3
238.09909	1.5
239.03458	4.9
239.07008	1.8
239.10802	1.3
240.04143	5.4
240.07831	2.2
241.05049	1.9
242.05833	1.5
243.06674	1.5
247.07610	1.6
248.08266	2.1
249.05582	1.6
249.09218	2.5
250.06296	4.2
251.03447	4.3
251.07027	8.7
251.10716	2.3
252.04295	2.6
252.07658	2.1
253.05000	4.8
253.08557	3.2
254.05753	3.0
255.06511	2.4
255.10068	1.6
263.07126	3.1
264.07800	2.2
265.08575	8.7
266.05798	5.7
266.09283	2.0
267.03418	1.3
267.06564	8.3
267.10010	1.9
268.03775	5.6
268.07239	3.8
269.04782	2.0
269.08148	3.3
275.07004	2.3
276.07831	1.8
277.05038	3.0
277.08551	1.4
279.06577	7.7
279.09894	2.7
280.07419	1.8
281.04761	2.2
281.08124	6.1
282.05161	3.4
283.06049	8.4
283.09647	3.9
284.06717	3.6
285.07578	3.7
286.04745	2.2
287.05524	1.8
291.06488	1.9
292.07434	2.5
293.08057	11.1
294.08804	4.2
295.06058	2.9
295.09668	3.3
296.06921	2.7
297.07602	13.4
297.11292	4.2
299.05740	5.6
299.08841	2.0
301.04044	1.3
301.06989	6.5
305.08075	1.9
307.09741	3.5
308.06958	1.5
309.07571	4.0
309.11270	3.3
310.08221	3.5
311.09128	21.5
311.12634	1.4
312.09628	2.2
313.07010	4.6
313.10455	1.7
314.07803	7.6
315.08649	8.4
317.06671	1.5
319.06067	1.8
320.06683	2.3
321.07608	6.4
322.08145	1.7
323.08929	2.8
325.10703	10.2
326.21994	1.7
327.08685	3.7
327.12378	2.0
328.09509	6.8
329.10080	2.6
335.09155	2.8
336.09930	5.5
337.07187	2.6
337.10767	3.5
338.07712	2.5
341.10184	6.8
342.10550	1.6
343.11713	4.4
352.09418	2.4
353.10229	9.4
354.10934	3.8
355.11795	7.0
357.13336	13.6
367.11804	15.0
367.16736	1.7
373.12943	2.0
385.12747	19.0
397.12784	1.5
398.13596	2.0
422.27707	1.5
431.25375	1.6
448.29233	3.6
449.29849	2.6
466.30307	5.9
467.30765	4.0
473.46368	1.4
484.31323	2.9
485.18011	1.5
485.32028	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1996
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
55.27206	0.1
69.60048	0.7
88.36871	0.1
120.98425	0.1
127.03815	0.2
185.53125	0.1
194.45085	0.2
194.67487	0.1
203.05177	0.1
227.14572	0.2
229.09566	0.1
230.46960	0.1
275.07477	0.1
317.08331	0.9
333.07928	0.3
335.09534	1.6
353.15698	9.9
354.16013	0.5
391.04553	0.2
395.16797	0.2
398.42352	0.1
406.27435	0.2
485.19913	100.0
486.20261	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1991
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
53.06303	0.6
53.84352	0.5
67.05502	0.9
69.03428	0.6
69.07092	0.6
71.30296	0.6
71.30674	0.6
79.05484	0.7
81.07048	1.6
81.76003	0.6
82.29556	0.5
83.04989	0.9
91.05492	1.2
93.07034	1.6
95.05039	0.5
95.08615	1.1
95.22235	0.6
105.07030	1.9
107.08644	1.2
109.06513	1.0
109.10084	0.7
110.09631	0.5
119.08576	1.3
121.10184	0.7
123.08120	0.7
127.03707	0.6
129.07019	0.8
131.08633	0.7
133.10144	1.6
137.06044	1.0
143.01872	1.0
145.10263	0.7
157.10173	0.9
159.08055	0.6
159.11671	0.6
165.09004	0.7
167.06982	0.7
169.10110	0.7
173.09598	0.7
175.11209	1.3
185.04247	1.9
185.09567	0.8
203.10579	0.6
229.06830	1.3
317.08441	56.2
318.08795	1.9
335.09415	1.0
353.15936	0.6
373.01117	0.7
485.19928	100.0
486.20206	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1993
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
55.01866	0.2
56.33941	0.2
57.03437	0.3
59.98432	0.2
69.03426	0.6
69.07063	0.5
70.65763	0.4
70.66065	0.2
75.54108	0.2
78.15662	0.2
81.07035	0.2
83.04983	0.4
84.86775	0.2
85.74904	0.2
91.05478	0.3
95.32484	0.2
97.02901	0.5
97.06538	0.2
97.11001	0.2
114.09303	0.2
115.07587	0.3
137.05931	0.3
138.06320	0.3
139.03889	0.3
143.07053	0.7
147.04315	0.2
153.85114	0.2
155.10750	0.2
157.08594	0.7
170.65106	0.2
174.12086	0.3
175.09752	0.6
184.07141	0.2
185.04294	0.3
209.76579	0.2
259.09686	0.4
278.43991	0.2
317.08435	0.7
323.14786	0.3
335.60696	0.2
353.15710	10.6
354.15823	0.4
485.19943	100.0
486.20309	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37122	0.3
51.83496	0.2
53.03920	0.3
55.01852	0.2
55.05507	0.3
56.46840	0.3
57.03440	0.3
59.44226	0.2
66.12581	0.2
69.03429	1.1
69.07057	0.5
70.57956	0.3
70.58284	0.5
73.02894	0.3
81.07045	0.2
85.02907	0.6
91.05452	0.3
95.08630	0.4
97.02877	0.4
98.97620	0.4
100.11254	0.5
105.07026	0.5
109.02721	0.2
114.09164	1.2
115.03967	0.3
119.08591	0.4
123.04413	0.4
127.03812	0.3
131.08574	0.4
135.08041	0.3
145.10094	0.3
170.22031	0.2
173.13268	0.8
182.15407	0.3
191.14288	3.0
210.14804	0.4
227.17691	0.3
229.07225	0.3
297.73450	0.3
317.08414	0.6
323.14911	0.3
335.09555	0.9
339.05249	0.5
353.15692	11.2
354.16006	0.4
441.75519	0.3
485.19897	100.0
486.20255	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59196	0.4
55.05508	1.0
64.50514	0.4
67.05497	1.5
69.03426	0.6
69.07053	1.0
69.19221	3.1
71.05014	0.5
73.02927	0.4
79.05505	0.8
81.03435	0.5
81.07057	2.8
83.04987	0.8
85.02894	0.5
85.06554	0.5
91.05482	1.1
93.07051	2.8
95.04965	0.7
95.08601	2.5
96.95549	0.4
97.06519	0.6
98.97579	0.5
105.07024	1.6
106.39125	0.4
107.08611	1.8
109.06504	0.8
109.10162	1.1
111.08085	1.0
119.08600	0.9
121.06459	0.8
121.10147	1.4
123.04399	0.4
123.08101	1.0
123.11694	0.6
125.09653	0.5
131.08557	0.7
133.10123	1.4
135.11681	0.9
137.05998	1.5
139.07550	0.8
143.08583	0.7
145.10147	1.1
147.11699	0.8
149.09618	0.5
151.07639	0.4
153.05484	0.4
153.09120	0.6
155.03096	0.6
157.10100	0.7
159.08099	0.5
159.11690	0.7
165.09079	0.7
169.03410	0.4
173.04225	0.6
173.09712	0.5
175.14925	0.4
181.12230	0.8
182.73328	0.4
185.04202	1.0
189.16362	0.4
191.10596	0.4
203.10741	0.6
207.11699	0.4
229.06812	2.4
317.08408	41.9
318.08780	1.1
321.75620	0.4
335.09500	0.8
339.67838	0.4
413.30740	0.9
431.31610	0.7
467.27963	0.4
485.19891	100.0
486.20258	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	100.0
60.18657	20.5
71.31620	31.2
81.07074	36.2
83.04977	83.0
91.76782	21.1
93.07058	59.0
95.08567	53.3
105.07057	38.0
107.08585	26.7
119.08578	55.5
119.45359	24.8
126.79281	21.9
133.10143	40.9
145.10136	30.2
156.09459	28.2
157.10150	38.8
159.11693	29.0
161.09546	20.7
197.13194	25.0
291.08759	22.4
353.33292	24.5
411.15887	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2165
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
53.03946	1.0
55.01868	1.6
55.05511	1.2
62.29491	0.3
65.03941	1.2
67.05507	3.4
68.03555	0.3
69.03427	6.1
69.07071	0.9
71.01350	0.6
71.04973	0.4
77.03928	0.4
79.05494	10.4
81.03407	0.7
81.07057	42.7
81.42184	0.3
82.07395	0.9
83.04984	0.9
85.02907	1.0
86.96430	0.3
91.05479	10.9
93.07046	5.4
95.04975	3.4
95.08605	5.3
97.02901	1.4
97.06540	1.9
98.23436	0.6
103.05463	1.1
105.04507	0.6
105.07028	9.5
107.04960	1.4
107.08598	3.7
109.02867	0.4
109.06518	14.9
109.10147	0.7
110.06794	0.4
111.04469	1.7
111.08074	1.2
113.02377	1.4
115.05438	2.7
116.06236	0.7
117.07020	10.2
119.04942	1.0
119.08579	4.8
121.06516	3.7
121.10149	1.4
123.04427	1.1
123.08082	2.6
125.06001	0.7
128.06213	3.4
129.07013	7.4
130.07825	1.8
131.04953	0.8
131.08568	9.4
132.05731	0.5
133.06490	3.2
133.10129	2.5
135.04399	0.8
135.08047	3.6
135.11694	0.4
137.05974	41.5
137.09581	0.8
138.06325	1.0
139.07526	1.1
141.06976	7.4
142.07808	2.3
143.08554	6.9
144.05708	0.6
144.09354	1.5
145.06517	4.2
145.10121	6.2
146.07263	1.2
147.08049	6.5
147.11671	0.8
149.05981	2.6
149.09612	2.1
151.07542	2.3
152.06204	0.8
153.07007	2.7
154.07768	6.0
155.04895	0.7
155.06029	0.5
155.08553	12.5
156.09381	1.7
157.06487	2.2
157.10115	4.4
158.07251	1.2
159.08054	5.9
159.11667	6.2
160.08749	0.9
161.05969	1.1
161.09608	3.8
163.07541	2.3
163.11177	0.6
165.05519	0.9
165.07013	4.3
165.09059	2.1
166.07831	1.5
167.07213	0.7
167.08549	4.6
168.09274	1.5
169.06473	0.6
169.10120	9.1
169.11507	0.6
170.07217	0.4
170.10695	1.0
171.08063	4.1
171.11700	1.8
172.08853	1.5
173.05980	1.4
173.09631	7.6
174.10286	0.4
175.07545	3.6
175.11200	1.4
176.08336	0.5
177.09126	2.2
178.07800	1.1
179.07024	0.7
179.08525	4.7
179.10185	0.4
179.10675	0.4
180.09360	2.9
181.06534	0.9
181.08562	0.7
181.10086	4.9
182.07280	0.6
182.10774	0.5
183.08073	2.5
183.11646	1.7
184.08740	0.5
185.06049	0.6
185.08051	0.4
185.09605	4.4
185.13278	2.0
186.10371	1.0
187.07545	1.9
187.11185	9.7
188.08372	0.5
189.09087	4.1
189.12793	0.5
190.07838	0.5
191.07048	0.8
191.08609	0.5
191.10655	0.7
192.09375	0.8
193.04976	0.5
193.08592	1.6
193.10173	2.5
194.10938	2.3
195.08073	2.4
195.11687	7.1
196.08800	1.1
196.12384	1.0
197.09627	3.3
197.13251	1.0
198.10344	1.0
199.07544	1.1
199.11151	2.5
199.14854	0.9
200.08315	0.8
201.09085	2.8
201.12692	0.4
202.07834	0.5
202.09766	0.4
203.07051	1.2
203.08614	1.0
203.10709	1.4
204.09409	1.1
205.08565	1.3
205.10294	1.5
205.11920	0.3
206.10898	0.9
207.08060	0.9
207.10092	0.9
207.11786	1.7
208.08855	0.5
208.12221	0.4
209.09708	2.0
209.13242	6.2
210.10379	0.9
210.13799	0.9
211.07614	0.7
211.11157	2.0
211.14839	0.9
212.11870	1.0
213.09103	1.8
213.12723	5.0
214.13136	0.5
215.08897	0.5
215.10625	2.2
217.08565	0.7
217.12129	0.5
219.10121	1.4
219.11984	1.8
220.12387	0.7
221.09628	1.1
221.13298	1.4
222.10364	1.2
223.11168	7.8
223.14592	0.7
224.11858	0.9
225.09164	1.7
225.12721	1.4
226.13460	0.5
227.10663	1.2
227.14314	3.4
228.07880	0.4
228.14961	0.7
229.08641	1.4
229.12131	0.6
229.15807	0.5
231.11691	0.9
231.13884	0.8
232.08902	0.7
232.12448	0.6
233.09598	1.0
233.13277	1.4
235.11356	0.7
235.14749	0.4
237.09183	0.5
237.12733	5.9
238.13402	2.2
239.10707	1.7
239.14236	1.2
240.11436	0.7
241.12250	4.1
243.10138	1.1
246.10559	0.4
246.13947	0.4
247.11371	2.1
247.14813	0.6
248.11946	0.6
249.12762	1.1
250.09689	0.7
251.10747	2.2
251.14268	0.8
253.12311	0.7
254.12991	0.7
255.13826	5.0
256.14548	1.3
257.13126	0.4
260.11737	0.4
261.12869	0.4
263.10699	0.5
263.14230	0.6
265.12259	3.1
265.15686	0.7
266.12946	2.3
266.28821	0.3
267.13699	1.0
269.11563	2.0
273.12747	0.5
275.10645	0.4
275.14273	0.5
276.11487	0.8
277.12222	0.5
279.10031	0.4
279.13785	0.5
283.13281	2.7
284.14142	4.1
285.14948	1.1
291.13580	0.5
293.11920	0.5
293.15283	0.6
301.14505	0.6
302.15158	0.4
303.13773	0.6
311.13074	0.4
311.16516	0.3
315.17386	0.7
325.15738	0.6
327.13708	0.4
328.14575	0.6
329.14447	0.4
339.16315	0.7
343.16925	1.3
357.18292	1.1
361.18036	2.0
363.15915	1.5
367.16946	0.7
371.16678	0.4
375.19492	1.2
379.18988	0.7
385.17892	1.8
393.20557	1.3
403.19031	6.3
404.19281	0.5
405.20535	0.7
413.17477	3.3
421.20096	12.4
422.20340	1.2
431.18549	13.5
432.18716	0.9
439.21158	3.0
440.21143	0.4
449.19583	32.0
450.19897	3.2
467.20575	12.6
468.20929	1.0
485.21683	100.0
486.22037	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
54.58111	0.3
55.01868	1.3
55.05505	1.3
57.03439	0.6
59.04998	0.8
60.00260	0.5
65.03935	1.5
67.05509	2.5
69.03429	6.9
69.07059	0.7
69.08718	1.4
69.09139	1.7
79.05498	11.1
81.03423	1.0
81.07059	48.6
82.07394	1.0
83.04963	0.7
85.02896	0.8
91.05479	11.1
93.07055	5.0
95.04967	4.0
95.08599	1.8
97.02890	3.2
97.06540	1.7
98.22569	0.8
99.04457	0.8
103.05493	0.8
105.07034	6.8
106.07388	0.5
107.04948	1.5
107.08590	2.9
109.02879	0.7
109.06522	30.6
109.10136	0.6
111.04444	3.6
111.08085	4.7
113.02380	1.7
115.05433	2.0
115.22561	0.3
116.06260	0.5
117.07027	6.1
119.04958	0.7
119.08595	6.3
121.06519	2.8
121.10164	1.5
123.04429	1.7
123.08092	3.4
125.05984	1.1
127.05453	0.4
128.06250	3.1
129.07002	5.2
130.07777	1.9
131.04912	2.2
131.08566	6.2
133.06506	2.3
133.10109	2.1
135.04404	0.6
135.08058	5.5
137.05980	51.2
138.06366	1.1
139.07526	1.9
141.06993	4.0
142.07799	2.4
143.08548	4.7
144.05685	1.2
144.09311	0.9
145.06493	4.4
145.10110	8.5
146.07275	6.5
147.08060	7.4
147.11713	0.6
149.05991	3.0
149.09619	3.1
151.07582	1.3
152.06232	0.5
153.07019	2.3
154.07782	3.6
155.08548	7.0
156.09412	0.9
157.06509	2.4
157.10115	3.7
158.07251	2.5
159.08058	45.7
159.11615	1.9
160.08658	2.3
161.06004	0.4
161.09625	4.0
163.07536	3.4
163.11203	0.7
165.05597	0.6
165.07022	1.9
165.09128	1.3
166.07800	1.0
167.07082	1.1
167.08569	2.4
168.09338	0.5
169.06496	0.8
169.10127	8.3
170.07373	0.6
170.10835	0.7
171.08064	3.8
171.10408	0.4
171.11630	2.0
172.08838	11.6
173.05998	3.6
173.09628	27.0
174.10271	1.8
175.07542	3.7
175.11145	2.0
177.09108	3.7
178.07822	0.9
179.07030	1.5
179.08569	3.4
180.09311	2.0
181.06461	0.9
181.08653	0.8
181.10150	2.7
182.07318	0.8
183.08110	2.8
183.11722	1.7
184.08858	0.8
185.09624	15.8
185.13226	1.4
186.10295	1.6
187.07614	2.9
187.11183	23.3
188.08229	0.6
188.11633	0.4
189.09100	6.4
189.10680	0.6
189.12743	0.5
191.07021	1.4
191.08621	0.8
191.10707	1.5
192.09380	0.7
193.05196	0.5
193.08615	5.1
193.10193	1.8
194.10947	1.2
195.08102	1.7
195.11710	6.2
196.08875	2.0
197.09612	5.6
197.13351	1.3
198.10333	1.9
199.07547	2.3
199.11177	3.1
200.08344	2.8
201.09117	6.5
201.12743	1.0
203.08717	0.7
203.10718	1.6
204.09509	0.9
205.08549	1.1
205.10217	1.3
205.12151	1.0
206.11032	1.0
207.08371	0.5
207.10159	1.6
207.11818	1.0
208.08890	1.0
209.09622	2.3
209.13264	1.4
210.10388	1.1
211.07545	0.7
211.11203	5.3
211.14767	0.5
212.08252	0.5
212.11993	3.4
213.09140	3.1
213.12720	7.7
214.13367	0.8
215.08763	0.8
215.10661	6.5
217.08630	1.1
219.10046	5.9
219.11847	1.7
220.12512	0.5
221.09602	1.2
221.13274	1.7
222.10327	2.8
223.07643	0.5
223.11183	6.9
223.14671	0.6
224.08334	2.9
224.11891	1.4
225.09113	3.5
225.12703	2.8
226.09836	0.8
227.07112	0.7
227.10672	2.7
227.14314	3.3
229.08470	2.3
229.12253	1.0
231.10027	0.7
233.09706	1.0
233.13411	0.7
234.10338	0.8
235.11234	1.3
236.11961	0.8
237.09169	0.7
237.12735	5.6
238.09860	0.6
238.13469	2.2
239.10637	3.2
239.14339	1.8
240.11447	1.2
241.08636	1.2
241.09802	0.6
241.12231	7.6
243.10175	4.3
247.11481	2.5
248.11966	0.9
249.09111	0.5
249.12793	2.1
250.09998	1.2
250.13593	0.4
251.10690	2.2
251.14345	2.3
252.11455	0.8
253.12349	1.1
255.10274	1.1
255.13782	4.4
256.14371	0.8
257.11649	0.8
261.12860	0.7
263.10846	0.8
263.14334	0.9
264.11404	1.2
265.12286	6.2
265.15335	0.8
266.13074	2.6
267.13785	1.9
269.11761	1.6
275.14273	0.8
277.12299	0.7
279.13748	1.9
283.13263	6.1
284.14044	3.6
291.13922	0.5
293.11768	1.1
293.15378	0.6
294.12491	1.1
295.13443	0.9
301.14371	4.3
303.10254	0.4
303.13766	0.8
311.13058	0.7
312.13696	1.0
315.17252	0.7
321.14951	0.5
329.14249	1.0
330.14642	0.6
339.12317	0.5
339.16208	1.2
343.17032	1.2
345.14639	0.5
347.15146	0.6
349.14426	0.5
357.13629	0.5
357.18356	0.8
361.17978	2.3
363.19604	0.8
367.16763	0.6
370.15744	0.5
371.16278	1.1
375.19476	1.3
377.17755	0.5
379.19003	4.1
385.17847	2.6
389.17484	1.6
393.20560	0.6
403.19122	4.8
405.20850	0.9
407.18466	0.6
413.17349	2.7
421.20047	10.9
422.20416	1.4
423.21548	0.6
431.18521	13.2
432.18817	1.5
439.21326	1.8
449.19620	26.2
450.20120	2.4
467.20670	27.3
468.20804	2.8
485.21677	100.0
486.22061	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	31.2
56.77758	1.3
57.07079	21.4
60.05670	1.4
67.05505	5.6
69.07058	4.0
69.09109	8.8
69.09533	4.1
69.09746	1.2
71.04980	1.2
71.08626	3.3
79.05494	3.6
81.07066	7.7
82.94551	2.3
83.04482	2.4
83.04980	48.9
83.08625	2.0
85.10183	1.5
89.06023	3.5
91.05468	3.5
93.07038	7.1
95.04991	2.3
95.08623	12.7
97.06540	1.9
97.10230	1.6
98.22682	2.3
105.07028	8.0
107.08557	8.2
109.10155	5.9
119.08595	5.5
119.68233	1.5
121.06500	3.4
121.10165	5.3
123.08035	2.9
131.08565	5.2
133.10175	5.2
135.08025	1.9
135.11682	3.5
137.06000	2.0
143.08571	2.9
143.64244	1.3
145.10130	5.0
147.11710	3.4
149.09637	2.3
152.53438	1.6
155.49530	1.4
157.10153	4.7
159.11678	4.6
161.09592	2.0
161.13316	2.0
161.40611	1.6
163.11246	2.1
163.14777	2.7
165.07036	6.1
165.12785	1.8
167.08612	2.0
169.10138	2.0
171.11653	3.0
173.09602	1.8
173.13260	3.3
175.14793	1.6
179.08592	3.3
181.06503	1.8
182.07262	12.0
185.13293	2.9
187.14912	1.9
188.08347	2.5
195.08052	1.9
197.09644	7.8
197.13365	1.8
199.07550	2.3
203.10674	6.1
207.08090	1.5
210.06720	17.1
211.07356	2.2
215.18024	1.5
219.13815	2.5
222.06839	3.0
223.07637	1.9
224.08324	2.7
225.05679	1.8
225.09106	42.0
226.09531	2.6
227.06990	3.0
231.10042	1.5
235.07587	5.2
235.16988	1.8
237.05508	1.6
238.06282	14.3
239.06938	2.0
240.07777	7.6
241.08647	2.3
242.09315	2.2
251.07051	5.2
252.07878	6.1
253.04874	3.2
253.05536	2.7
253.08583	38.2
253.11240	1.9
255.06595	2.5
255.10222	4.8
265.08551	1.6
266.05820	4.9
267.06473	3.9
267.10077	3.4
268.07269	7.7
269.08118	3.0
270.08835	3.4
271.17209	1.9
278.09256	2.1
280.07367	3.4
281.08084	67.6
282.08453	3.4
283.06387	1.6
283.09613	4.8
285.07645	1.7
285.11188	2.8
287.05560	1.9
293.11624	2.9
296.06815	4.8
297.07657	2.5
298.08276	4.3
308.10498	1.8
311.09125	55.6
312.09753	6.9
313.07098	3.6
313.10532	16.9
313.27325	5.0
314.11057	1.7
323.12680	3.6
328.09360	5.1
343.11768	100.0
344.12213	7.2
351.12186	4.4
352.13068	1.8
353.13873	2.0
369.28326	3.7
377.13690	1.6
383.14911	8.9
387.29489	3.2
393.13422	2.0
421.30652	1.8
425.31796	2.0
427.16711	1.5
431.29092	2.0
439.31973	2.7
449.30292	3.6
467.31421	12.8
485.21722	2.4
485.27927	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
53.66799	1.8
55.05513	90.4
56.05828	2.7
57.99130	1.5
67.05492	4.5
69.07067	2.7
69.71941	1.4
71.31398	2.7
74.47334	1.5
74.65969	1.4
79.05492	2.1
81.07063	5.9
83.04980	97.8
91.05477	4.1
93.07041	4.8
95.08622	10.4
97.06483	1.9
97.10194	1.9
105.07008	6.2
107.08595	5.7
109.10143	3.1
117.06984	2.1
119.08573	7.4
121.06470	1.6
121.10133	4.2
128.06186	2.7
131.08560	2.9
133.10141	3.1
134.07211	2.3
135.11714	2.1
145.10092	3.4
147.08031	4.2
159.11714	3.6
161.09608	1.9
163.11160	1.9
165.07034	4.8
167.08568	2.9
169.10085	1.7
173.13277	3.2
174.89867	1.6
175.07570	2.2
175.11276	2.0
179.08488	2.4
179.10806	1.6
182.07260	9.5
185.13356	1.7
195.08090	3.9
196.08899	2.2
197.06024	2.0
197.09625	5.8
199.07494	4.0
203.10651	4.0
204.71382	2.0
207.08119	1.9
210.06737	15.9
222.06755	2.9
225.09102	38.3
226.09692	3.0
227.07085	8.8
228.07628	2.8
235.07474	4.1
235.09590	3.6
237.05457	3.2
238.06195	10.1
239.07031	3.1
241.08727	2.5
242.09364	5.6
251.07062	4.0
252.07735	9.1
253.08597	41.9
254.09190	3.4
255.06429	10.7
256.07312	2.2
262.09781	2.5
265.12048	2.2
266.05707	4.7
267.06555	6.4
267.10162	7.3
268.07101	2.2
269.08051	2.9
270.08875	14.6
272.06583	2.1
278.09595	2.2
281.08063	54.7
282.08694	8.0
283.05939	4.8
285.11108	12.0
287.05551	2.0
287.08908	2.2
293.11746	6.8
295.09766	2.2
297.07315	2.0
298.08423	10.3
298.11655	1.9
299.09058	8.1
307.09586	3.3
310.12076	2.9
313.07047	3.6
313.10684	67.9
314.11255	13.2
315.08594	4.4
317.10272	6.0
321.11163	3.9
322.11969	3.1
323.09131	3.9
327.12314	2.6
330.10995	3.6
338.11649	2.7
339.12091	4.3
343.11777	3.5
345.13312	100.0
346.13556	6.4
353.13760	14.6
354.14539	3.9
355.11551	2.2
385.16446	21.6
409.54056	1.8
427.17642	3.6
467.31628	4.4
485.25250	10.1
485.32477	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
53.66799	1.8
55.05513	90.4
56.05828	2.7
57.99130	1.5
67.05492	4.5
69.07067	2.7
69.71941	1.4
71.31398	2.7
74.47334	1.5
74.65969	1.4
79.05492	2.1
81.07063	5.9
83.04980	97.8
91.05477	4.1
93.07041	4.8
95.08622	10.4
97.06483	1.9
97.10194	1.9
105.07008	6.2
107.08595	5.7
109.10143	3.1
117.06984	2.1
119.08573	7.4
121.06470	1.6
121.10133	4.2
128.06186	2.7
131.08560	2.9
133.10141	3.1
134.07211	2.3
135.11714	2.1
145.10092	3.4
147.08031	4.2
159.11714	3.6
161.09608	1.9
163.11160	1.9
165.07034	4.8
167.08568	2.9
169.10085	1.7
173.13277	3.2
174.89867	1.6
175.07570	2.2
175.11276	2.0
179.08488	2.4
179.10806	1.6
182.07260	9.5
185.13356	1.7
195.08090	3.9
196.08899	2.2
197.06024	2.0
197.09625	5.8
199.07494	4.0
203.10651	4.0
204.71382	2.0
207.08119	1.9
210.06737	15.9
222.06755	2.9
225.09102	38.3
226.09692	3.0
227.07085	8.8
228.07628	2.8
235.07474	4.1
235.09590	3.6
237.05457	3.2
238.06195	10.1
239.07031	3.1
241.08727	2.5
242.09364	5.6
251.07062	4.0
252.07735	9.1
253.08597	41.9
254.09190	3.4
255.06429	10.7
256.07312	2.2
262.09781	2.5
265.12048	2.2
266.05707	4.7
267.06555	6.4
267.10162	7.3
268.07101	2.2
269.08051	2.9
270.08875	14.6
272.06583	2.1
278.09595	2.2
281.08063	54.7
282.08694	8.0
283.05939	4.8
285.11108	12.0
287.05551	2.0
287.08908	2.2
293.11746	6.8
295.09766	2.2
297.07315	2.0
298.08423	10.3
298.11655	1.9
299.09058	8.1
307.09586	3.3
310.12076	2.9
313.07047	3.6
313.10684	67.9
314.11255	13.2
315.08594	4.4
317.10272	6.0
321.11163	3.9
322.11969	3.1
323.09131	3.9
327.12314	2.6
330.10995	3.6
338.11649	2.7
339.12091	4.3
343.11777	3.5
345.13312	100.0
346.13556	6.4
353.13760	14.6
354.14539	3.9
355.11551	2.2
385.16446	21.6
409.54056	1.8
427.17642	3.6
467.31628	4.4
485.25250	10.1
485.32477	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48906	0.4
53.03956	2.3
55.05510	73.5
55.75211	0.4
56.05857	1.0
67.27406	0.4
73.89168	0.3
74.55401	0.4
75.89084	0.3
81.07071	0.8
83.04979	100.0
84.05317	1.5
85.38482	0.3
85.47256	0.3
93.07028	0.4
95.08617	0.6
98.22641	1.2
98.68027	0.4
107.08634	0.4
109.10231	0.4
133.10152	0.5
137.76590	0.4
209.80003	0.4
228.98065	0.5
367.18970	0.6
403.20923	1.7
441.27640	2.1
478.72882	0.4
485.26599	32.6
486.26993	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.05507	8.4
57.07064	2.0
59.09127	1.6
67.05508	12.4
69.03421	1.9
69.07065	3.7
69.52870	9.0
79.05497	7.8
80.16923	1.8
81.07055	14.5
83.04972	8.2
83.08611	2.4
84.60702	1.8
91.05484	14.0
93.07053	18.5
94.07362	1.9
95.04957	4.8
95.08608	28.5
97.06532	3.6
99.04436	2.5
99.82336	1.8
104.55724	2.2
105.07026	19.6
107.05023	1.8
107.08603	16.2
109.06512	4.9
109.10144	10.7
111.04455	5.4
111.08086	5.2
115.05453	2.9
117.07030	6.8
118.96998	1.6
119.08590	19.8
121.06491	7.7
121.10162	9.3
123.08109	8.0
125.13910	1.9
128.06239	4.1
129.07021	5.1
130.07761	1.7
131.08569	11.8
133.06494	2.3
133.10141	15.5
135.08067	4.5
135.11703	4.7
137.06000	2.0
137.09613	2.4
139.07530	3.4
141.07028	5.9
141.09099	3.4
142.07759	3.4
143.08621	10.7
145.06499	1.6
145.10152	17.5
147.08029	7.3
147.11713	6.4
149.09602	3.7
154.07817	1.5
155.08582	7.9
156.09361	3.3
157.10146	14.4
159.08096	5.9
159.10474	2.3
159.11644	10.8
161.09570	8.8
161.13258	4.9
163.11171	4.0
165.06996	2.0
165.09116	2.1
167.08557	4.2
169.10071	10.5
170.07193	1.9
171.08083	5.9
171.11743	8.4
173.09647	7.6
173.13264	5.9
174.10165	2.1
175.11215	4.0
179.08620	5.3
180.09337	2.4
181.10164	8.2
182.10860	2.0
183.08070	3.1
183.11658	10.1
185.09680	9.4
185.13254	6.1
186.10336	1.8
187.07564	5.0
187.11256	6.6
187.14690	2.4
189.12746	4.7
193.10117	8.4
194.10905	2.0
195.08098	2.1
195.11636	8.6
196.12465	2.1
197.09550	4.0
197.13297	8.2
199.07487	2.8
199.11185	4.8
199.14859	4.6
201.09099	3.1
201.12808	2.8
203.08684	2.5
203.10648	1.9
205.10164	2.3
207.11760	9.4
208.12360	2.0
209.13254	10.9
210.10345	2.0
211.01384	2.0
211.07426	1.8
211.11176	7.6
211.14809	5.7
213.09137	2.2
213.12851	4.5
215.10596	2.0
219.11765	3.4
221.13269	9.8
222.10426	4.1
223.11246	5.7
223.14888	4.7
224.11948	2.3
225.12694	9.3
225.16389	2.8
227.10693	3.3
227.14313	4.7
229.12257	2.9
232.12477	2.6
233.09705	1.8
233.13289	2.0
235.11168	2.2
235.14775	3.4
237.12729	12.8
237.16393	3.8
239.10641	3.9
239.14326	5.1
241.12193	4.4
243.13786	4.0
246.13997	1.7
247.14783	3.0
248.11908	2.1
249.12749	4.0
249.16367	3.9
253.12228	12.8
253.15927	2.3
255.13808	9.9
260.12125	1.9
261.13040	2.0
261.16254	2.5
263.14328	4.8
263.17963	3.4
265.16010	2.2
267.13736	2.0
267.17447	2.2
269.15405	2.7
276.15045	2.0
277.15878	7.9
279.13910	2.4
281.15482	3.5
281.18716	2.6
289.15939	2.7
291.17471	6.7
293.15451	2.8
293.19150	2.9
295.17084	3.5
307.17065	3.9
308.17764	2.2
309.18460	14.0
326.07932	2.6
335.20007	7.9
340.09451	1.8
353.21259	1.9
385.25308	2.7
389.25128	2.0
403.26358	10.5
409.23492	7.0
413.24603	3.3
421.27383	4.9
431.25763	66.1
431.31589	3.5
432.26172	6.6
449.26776	100.0
450.27106	11.4
467.26978	9.9
485.27997	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	5.0
65.03942	1.8
67.05510	8.3
68.05841	1.0
69.03968	11.1
69.07066	2.5
79.05482	3.2
81.03439	1.2
81.07059	8.7
83.04990	5.2
83.08605	1.3
85.06545	2.3
91.05477	8.7
93.07040	9.1
95.04974	3.4
95.08608	18.2
96.08913	1.9
97.06509	1.7
105.07030	10.7
107.08595	9.1
109.06499	2.4
109.10154	4.1
111.04443	2.3
111.08123	4.9
117.07017	2.8
119.08579	10.8
120.08956	1.1
121.06519	5.1
121.10128	6.8
123.08102	5.9
123.11753	1.3
128.06218	1.7
129.07025	3.6
131.08597	6.9
133.06459	1.3
133.10107	6.9
135.08047	3.1
135.11707	2.2
137.09688	1.2
138.44438	1.1
139.07524	1.2
141.06992	2.5
141.09016	1.4
142.07785	4.2
143.08588	7.4
145.10149	6.9
147.08031	4.8
147.11729	3.1
149.09618	1.4
154.07770	1.6
155.08519	6.3
156.09247	1.4
157.10150	9.3
157.91537	1.0
159.08040	3.6
159.11696	5.6
161.09642	3.4
161.13255	2.0
165.06975	1.6
167.08551	3.2
168.09346	2.5
169.10161	6.4
170.10818	1.5
171.08102	4.8
171.11720	5.3
173.09645	2.3
173.13350	1.3
175.11189	2.1
179.08578	3.1
180.09364	1.6
181.10114	4.0
183.11673	6.1
185.09642	12.4
185.13220	2.0
186.10150	1.7
187.11194	4.1
189.12814	1.6
191.08560	1.2
192.09363	2.6
193.10173	5.6
194.10948	2.5
195.08102	2.1
195.11687	6.3
196.08830	2.4
197.09601	2.6
197.13226	2.8
198.10339	1.1
199.11255	2.7
199.14867	1.3
201.12755	1.3
205.10072	1.9
206.10880	1.8
207.11740	6.7
208.08914	1.9
208.12250	1.4
209.09654	2.9
209.13283	7.2
210.10295	2.6
210.13763	1.0
211.11145	3.2
211.14864	1.3
213.12730	2.1
215.14308	1.7
219.11664	2.6
221.09669	2.1
221.13210	7.4
222.10423	4.8
223.11174	5.6
223.14803	2.8
225.12766	7.2
227.14258	1.6
231.11655	1.6
231.13724	1.8
233.09724	1.2
233.13318	2.4
233.15376	1.3
235.11154	7.5
235.14839	3.8
236.11906	2.0
237.12750	14.9
237.16428	1.5
238.13457	1.3
239.14352	2.9
240.04214	3.4
245.13307	1.7
246.14046	1.2
247.11211	1.6
247.14821	2.1
248.11891	1.3
249.12764	5.2
249.16440	2.8
250.13455	1.3
251.14328	4.8
253.12297	2.1
253.15688	1.3
255.13812	2.6
261.12778	3.5
261.16483	1.4
262.13565	2.3
263.14352	5.3
263.17899	3.7
264.14975	1.1
265.15927	3.6
265.19748	1.3
267.13788	1.5
268.03711	1.3
273.16217	1.4
274.13541	1.1
275.14215	2.5
275.17761	1.4
276.15091	3.1
277.16080	6.5
278.16449	1.3
281.19037	2.1
286.04797	1.9
289.15836	2.0
290.16415	1.2
291.17429	13.3
292.17859	2.5
293.19058	1.7
303.17679	1.1
309.18619	5.0
317.18988	2.2
327.08731	1.9
327.19403	3.1
331.15482	1.2
331.20816	1.3
332.21426	3.2
335.20123	1.8
345.20633	5.0
385.12753	2.8
385.25183	1.1
403.26074	5.0
405.27948	3.1
411.14136	1.6
413.24762	3.0
421.27408	2.5
431.25827	100.0
432.26331	10.9
449.26807	41.6
450.27206	4.3
467.27667	5.1
468.28589	2.1
485.28906	34.7
486.29630	2.6
497.68060	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.3
57.44174	0.5
57.96803	0.5
65.03922	1.0
67.05503	6.6
69.03414	1.4
69.07058	1.3
69.19883	0.5
69.20709	4.3
69.21044	1.0
79.05499	3.3
81.03416	0.8
81.07053	5.3
83.04977	3.2
85.06528	0.8
87.19082	0.5
91.05480	5.3
91.73484	0.6
93.07046	7.0
95.04951	1.5
95.08607	15.5
97.06527	0.9
102.84018	0.5
105.07029	7.6
107.08589	6.0
109.06513	1.6
109.10189	3.0
111.04424	1.7
111.08064	2.8
115.05426	0.8
117.07012	1.5
119.08579	7.4
121.06511	4.4
121.10157	3.6
123.08070	4.6
128.06245	1.7
129.07025	2.9
130.07816	0.9
131.08551	5.9
131.95084	0.5
133.06483	0.7
133.10144	4.4
135.08064	2.2
135.11664	2.0
137.05911	0.6
137.09630	0.6
139.07523	1.4
141.06972	1.7
141.09036	0.7
142.07782	2.7
143.08575	5.8
144.09212	0.6
145.06490	1.5
145.10112	7.1
147.08023	4.0
147.11678	2.7
149.09607	1.7
153.06941	1.0
155.08559	5.5
156.09358	1.6
157.10124	7.1
158.10777	0.5
159.08025	2.7
159.11688	3.9
160.08846	0.6
161.09634	3.7
161.13307	1.7
163.11148	0.5
165.06998	1.9
166.07816	1.0
167.08588	3.0
168.09279	1.3
169.10130	5.5
170.10750	0.5
171.08086	3.3
171.11671	3.2
172.08710	0.8
172.12181	0.7
173.09636	2.8
173.13275	1.3
175.11214	1.6
175.14801	0.6
178.07776	0.9
179.08525	3.1
180.09349	2.1
181.06517	0.6
181.10147	4.6
182.10948	1.1
183.08109	1.6
183.11694	4.5
185.09627	12.5
185.13199	1.4
186.10033	0.9
186.63222	0.6
187.11183	2.3
189.12749	1.7
190.07877	0.7
192.09312	2.2
193.10112	6.1
194.10902	2.6
195.08066	1.8
195.11685	5.0
196.08801	0.6
196.12401	1.0
197.09689	1.9
197.13275	2.9
199.11232	2.6
199.14828	1.4
201.12790	1.0
203.08669	0.6
203.10655	1.0
205.10110	1.0
206.10861	1.8
207.08055	0.7
207.11705	7.8
208.08907	1.2
208.12511	1.2
209.09587	3.5
209.13242	7.3
210.10449	1.4
210.13840	1.3
211.11134	4.0
211.14828	1.4
213.12779	2.7
218.10898	1.0
219.11688	2.9
220.08908	1.0
220.12489	1.3
221.09622	2.3
221.13280	6.6
222.10379	4.7
222.13718	0.6
223.11215	5.5
223.14783	2.8
224.11765	1.0
225.12727	5.8
225.16473	0.6
227.10606	0.6
227.14224	1.3
230.10762	0.7
231.11824	1.2
231.13872	1.2
231.63838	0.5
232.12373	0.9
233.09740	0.8
233.13258	3.1
234.10361	1.2
234.14055	0.7
235.11174	7.4
235.14809	2.3
236.11940	1.8
237.12727	12.5
237.16386	1.2
238.13298	0.8
239.10823	0.6
239.14281	2.1
239.17943	0.5
240.04074	0.8
241.16034	0.9
243.11687	1.1
243.13858	1.1
244.12595	0.8
245.13243	1.1
246.13843	1.0
247.11189	1.6
247.14841	2.0
248.12007	1.5
248.15608	1.0
249.12822	4.5
249.16386	3.3
250.13525	1.1
250.16949	0.7
251.14220	3.9
251.18117	0.6
253.12216	1.9
253.15959	1.1
255.13817	2.8
259.14841	1.0
261.12933	2.6
261.16437	2.0
262.13467	2.0
263.14310	5.1
263.17749	3.8
264.14975	0.9
264.18600	0.6
265.13251	0.6
265.15875	3.8
265.19455	0.6
267.13785	1.2
267.17453	0.8
269.15439	1.3
273.16385	1.5
273.63550	0.6
274.13681	0.7
275.14365	2.7
275.17715	0.9
276.15073	2.4
277.15903	6.7
278.16296	0.5
279.17496	0.8
280.18140	0.5
281.15375	0.9
281.19003	1.2
283.16901	0.7
286.04645	0.9
287.14441	0.6
289.15854	1.9
290.16562	2.1
291.14124	0.5
291.17404	12.1
292.17950	1.1
293.15707	0.7
293.19000	1.7
299.91443	0.6
301.06949	1.0
303.17404	1.5
305.18732	0.6
306.19891	0.7
307.17026	0.9
309.18539	4.2
317.18988	2.9
319.20761	0.7
327.08630	1.0
327.19659	1.6
331.20483	0.8
332.21445	2.7
335.20084	1.8
345.20599	5.2
363.22876	1.1
385.12842	0.8
385.25397	1.5
389.24725	0.9
403.26440	4.2
405.23972	2.2
405.28781	2.8
411.14227	0.8
413.24762	3.7
414.25082	0.6
421.27460	2.7
431.25818	100.0
432.26196	9.3
449.26843	46.1
450.27274	3.6
467.27786	4.5
468.28168	0.7
485.28958	34.9
486.29532	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3266
Annotation	3-Keto-24-epi-7,8-didehydrocimigenol
Peak:m/z	Relative Intensity
53.03936	5.4
53.05959	1.9
55.01868	1.7
55.05507	26.4
56.96560	4.4
57.07064	6.1
61.36727	1.4
65.03924	3.8
67.05503	44.4
69.03410	4.6
69.07065	19.4
69.51482	7.8
71.04991	4.5
71.08604	1.6
73.02901	2.4
79.05059	2.9
79.05490	39.9
81.07055	51.8
83.04978	22.2
83.08619	8.1
85.06519	5.3
89.77709	1.5
91.05479	39.1
92.75108	1.5
93.06464	3.1
93.07040	57.8
93.07625	3.1
95.04960	11.0
95.08601	100.0
96.08961	1.6
97.06509	10.4
97.10154	2.8
98.23373	3.0
98.97581	3.6
99.04440	2.5
101.06011	2.0
104.06268	1.6
105.07027	63.7
107.04952	2.4
107.08594	86.5
109.06502	10.0
109.09439	3.1
109.10152	45.4
111.04423	5.8
111.08084	10.3
113.05995	4.3
113.09614	2.6
117.07008	16.6
119.08576	64.5
121.06505	10.7
121.10134	51.7
123.08070	12.7
123.11702	15.0
125.05996	2.6
125.09621	3.9
128.06233	3.7
129.05513	2.4
129.06990	6.4
130.07727	4.9
131.08569	39.7
132.09309	2.7
133.06506	3.9
133.10124	57.9
135.08049	8.3
135.11691	28.8
137.05951	3.5
137.09602	5.8
137.13235	5.7
139.07538	4.8
141.06932	2.2
141.09111	4.7
142.07738	4.8
143.07080	2.3
143.07504	2.3
143.08546	15.9
144.09306	3.8
145.10120	57.2
146.10611	2.8
147.08017	11.7
147.11676	31.8
148.12335	1.7
149.09627	8.7
149.13232	11.1
151.07539	4.7
153.05455	2.5
153.09166	2.0
154.07822	1.9
155.07021	2.8
155.08522	6.1
155.10606	2.1
156.09319	5.9
157.10141	25.0
158.07271	2.3
158.10832	5.6
159.08092	9.7
159.11684	43.7
161.09616	15.7
161.13260	23.6
163.07448	2.5
163.11180	9.5
163.14804	5.5
165.09138	4.3
165.12737	2.2
167.08611	2.8
169.08730	2.5
169.10136	7.4
170.10918	2.6
171.08052	2.1
171.11693	16.4
172.08815	2.7
172.12383	3.9
173.09639	13.4
173.13255	35.5
175.11159	10.7
175.14807	14.5
177.09135	4.1
177.12637	3.4
177.16382	2.7
179.10699	5.0
181.08546	2.0
181.10080	2.8
182.10895	3.5
183.10258	2.5
183.11630	7.8
184.12321	2.2
185.09648	3.3
185.13239	15.2
186.10385	3.1
187.11208	8.3
187.14813	22.7
189.12695	3.7
189.16400	6.3
191.10701	2.8
191.14314	3.3
193.10141	2.3
193.12155	3.6
193.15942	2.2
195.10098	3.5
195.11740	2.1
197.13278	8.8
199.11188	2.3
199.14857	12.3
200.11920	2.5
201.12770	8.6
201.16356	11.2
202.16656	1.9
203.14346	5.1
203.17993	2.9
205.12347	2.3
205.15916	3.5
209.11613	3.7
211.11456	1.9
211.14839	4.9
213.12796	7.6
213.16374	5.7
215.14294	9.4
215.17972	3.7
217.15909	4.0
219.13782	8.6
221.15332	5.2
223.14911	2.6
225.12648	1.8
225.16338	3.7
227.14291	4.6
227.17856	4.0
229.15871	12.5
231.13853	2.8
231.17468	3.1
233.15364	6.2
235.16876	2.7
237.14746	18.9
239.14153	2.4
241.19540	3.4
243.20912	2.3
245.15416	5.5
247.16826	9.3
251.16310	2.9
255.21216	2.2
265.17902	3.2
269.19049	3.0
281.07977	2.4
281.22504	4.5
287.20026	3.3
299.19992	2.5
299.23358	2.6
313.21536	2.5
325.25119	2.0
327.23282	2.3
331.22638	2.1
343.22617	1.9
345.24329	8.6
354.14423	2.3
362.03027	2.3
371.07791	1.8
371.25934	3.2
383.07986	2.7
387.10922	2.5
389.09326	2.5
395.29193	5.6
395.34125	1.7
397.30795	2.2
401.09140	13.0
403.10577	4.1
403.29846	3.9
419.09998	12.4
421.30963	22.7
422.31177	2.5
425.12799	2.0
428.11627	3.8
431.10043	5.3
431.29111	2.3
439.32388	12.0
440.32117	3.0
441.08383	2.1
446.12485	13.6
447.12698	2.7
449.30554	9.9
456.10672	1.8
461.14865	15.9
462.14978	2.4
464.13422	11.5
467.31378	13.2
479.15952	11.7
485.14804	36.7
485.32428	14.7
486.15341	5.9
503.15878	14.5
504.16199	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36191	1.0
51.96437	1.0
53.03947	3.8
55.01877	2.5
55.05513	34.7
56.05848	1.7
56.34314	1.1
57.07079	5.4
59.05003	1.0
65.03948	3.0
67.05503	24.3
69.03436	4.4
69.07069	21.1
71.04998	4.9
79.05494	17.3
81.07056	43.2
81.07518	2.3
83.04982	19.1
83.08618	16.8
84.05348	2.0
85.06551	3.5
86.24979	1.0
86.43597	1.1
87.04456	1.6
91.05475	20.8
93.03448	1.1
93.07042	27.5
93.07621	1.5
95.04980	9.3
95.08607	65.0
97.06550	5.0
97.10173	17.4
98.23446	2.1
99.04449	6.2
99.08054	1.4
100.21581	1.1
101.06013	3.4
103.05444	1.1
105.04523	2.0
105.07029	34.1
106.07337	1.9
107.05008	1.6
107.08597	39.9
109.02923	1.1
109.06518	100.0
109.10149	25.6
109.10883	1.5
110.06851	2.7
111.04449	11.2
111.08078	9.0
113.06027	1.3
115.05511	2.3
117.07011	7.7
119.08579	37.1
120.08906	1.4
121.06522	3.1
121.10142	24.8
122.10526	1.5
123.08065	7.9
123.11675	7.0
125.05919	1.1
125.09624	2.7
127.07561	6.3
128.06215	2.2
129.06964	6.5
130.07797	1.8
131.08574	19.9
133.10130	29.5
135.08072	5.8
135.11700	11.7
137.05986	20.0
137.09639	3.6
137.13255	2.0
139.07591	5.3
141.07027	3.2
142.07767	5.5
143.08565	20.2
143.10629	2.1
144.09305	3.3
145.06577	1.4
145.10120	31.5
146.10724	1.4
147.08020	6.9
147.11694	17.7
149.09615	5.3
149.13281	4.7
151.11226	2.1
153.09164	2.9
155.07045	47.7
155.08537	6.5
156.09343	5.5
157.10136	34.2
158.10927	2.9
159.08084	3.7
159.11691	30.9
160.12047	1.1
161.09618	13.7
161.13252	13.7
163.07541	1.3
163.11215	4.0
163.14822	2.3
165.07036	1.8
165.09087	2.5
167.08580	1.8
167.10701	3.5
168.09384	1.6
169.10144	15.4
170.10857	4.2
171.08076	2.0
171.11697	30.6
172.12349	2.1
173.09651	6.3
173.13272	15.2
174.13673	1.2
175.07494	1.4
175.11192	8.0
175.14815	7.6
177.09204	2.1
177.12825	2.5
179.10719	5.9
181.10150	5.0
181.12292	1.6
182.10913	4.1
183.11688	20.4
184.12294	1.5
185.09656	3.9
185.13266	24.0
185.14964	1.4
187.11241	6.4
187.14806	12.5
189.09148	1.3
189.12766	6.4
189.16347	10.5
191.10649	5.7
191.14290	1.4
193.10190	3.0
193.12224	1.9
194.10980	2.8
195.11732	8.3
195.13596	1.5
196.12489	2.3
197.09723	1.7
197.13258	17.9
198.13930	2.4
199.11241	7.1
199.14850	12.0
201.12758	4.0
201.16373	6.8
203.14232	2.7
203.18005	3.7
205.10533	1.2
205.12311	4.9
207.11723	3.3
207.13701	2.8
209.13286	7.6
210.06831	1.1
210.13936	2.4
211.11206	4.1
211.14803	14.4
212.15598	1.6
213.12785	10.1
213.16428	6.7
215.10806	1.2
215.14287	5.9
215.17973	4.1
217.12276	3.2
217.15781	6.3
217.19582	1.5
219.11877	2.0
219.13672	5.4
219.17410	2.3
221.13319	4.3
221.15393	2.5
223.14806	7.0
223.16898	2.8
224.15280	1.1
225.09003	2.4
225.12820	4.8
225.16315	8.9
226.17184	1.9
227.14366	6.5
227.17937	6.0
229.12303	5.2
229.15883	3.8
229.19606	3.0
231.13829	12.8
231.17377	2.6
232.14366	1.5
233.13249	1.9
233.15375	5.4
234.13988	1.4
235.14847	3.9
235.16974	8.7
237.12625	1.7
237.16385	3.6
237.18504	1.3
239.14363	4.0
239.17966	5.3
241.15767	1.5
241.19521	1.4
243.13708	5.4
243.17473	2.6
245.15518	6.8
247.14804	1.5
247.16937	9.9
249.16325	3.1
249.18575	6.4
251.14369	2.6
251.17973	5.2
253.08569	1.6
253.19543	3.8
255.17529	3.7
257.15472	3.2
257.18915	2.3
259.17108	3.1
261.18573	4.2
265.15738	1.8
265.19485	3.1
267.17499	1.7
267.21082	3.2
269.15375	2.2
269.19028	2.5
269.22650	2.5
271.16956	3.0
271.20688	1.4
271.24249	4.1
273.18552	1.8
275.20178	3.3
279.17435	3.2
279.21072	1.9
281.08069	3.7
281.22699	1.6
283.20639	3.5
284.17712	2.2
285.18594	3.0
287.20026	2.2
289.21768	3.0
293.19501	1.6
293.22650	2.8
295.16998	1.3
295.21103	1.8
295.24139	8.8
296.24496	1.1
297.18481	2.9
301.21713	4.7
307.20602	1.5
309.19110	1.4
309.22311	5.2
311.09097	3.9
311.20392	2.3
311.23764	4.2
313.21750	2.0
313.25195	12.1
325.21521	6.0
327.23169	9.4
329.24747	12.7
331.26291	29.5
335.20038	1.5
335.23773	2.4
339.23135	1.3
343.11707	5.5
347.20114	1.4
351.23203	1.9
353.24756	1.5
361.21732	1.6
365.20987	1.5
367.26355	2.2
368.27237	2.6
368.74625	1.2
371.22467	2.1
372.21362	1.4
383.22125	2.8
389.24756	3.6
397.24039	1.5
403.30109	1.5
407.29800	8.6
411.25241	1.5
411.82156	1.3
413.28506	2.9
421.30960	3.1
424.26071	3.0
425.30591	29.1
426.30493	2.0
431.29480	24.7
449.24701	2.2
449.30560	35.7
450.30988	3.0
467.31619	46.2
468.31720	4.0
485.26053	1.7
485.32452	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.1
55.01852	1.6
55.05507	8.8
57.07078	19.9
63.47289	1.6
64.77163	1.6
65.03914	2.4
67.05502	15.0
68.19791	1.9
69.07072	11.1
70.06606	13.4
71.04981	2.3
71.08636	9.2
79.05492	13.0
81.07058	29.7
82.07384	1.9
83.04971	3.5
83.08618	6.7
85.06553	1.8
85.10169	3.7
87.04456	1.9
88.07631	20.1
91.05471	11.9
93.07040	29.4
95.04952	4.0
95.08604	37.8
96.08952	2.7
97.06542	2.4
97.10176	3.0
98.23465	3.8
99.04483	2.0
102.09183	17.0
103.09490	2.5
105.07015	19.3
105.10121	1.6
107.08589	37.9
109.06497	19.5
109.10162	17.6
111.04437	5.1
111.08054	2.7
112.37221	1.6
117.07001	5.3
117.64274	1.7
119.08575	24.0
121.06513	2.2
121.10143	24.8
123.08026	4.6
123.11691	4.7
127.07575	1.8
129.07034	3.6
131.08549	11.8
133.10112	19.9
135.08057	5.9
135.11722	11.0
137.06027	4.4
139.07547	2.1
141.09135	2.5
143.08572	8.6
143.37784	2.0
145.10114	16.5
147.08080	4.9
147.11670	14.5
149.09595	3.4
149.13271	6.6
153.09024	2.3
155.07034	9.5
155.08514	3.4
156.09256	1.8
157.10118	10.9
159.08037	3.7
159.11687	8.9
161.09616	7.9
161.13255	7.3
161.14430	1.7
163.00459	1.6
163.11139	4.6
163.14812	3.0
169.10188	3.0
171.11713	6.4
173.09625	3.8
173.13280	10.8
175.11186	6.9
175.14822	6.1
177.21379	1.6
181.12251	8.1
183.11658	3.8
185.13257	7.5
187.11209	4.5
187.14841	6.4
189.12767	3.7
189.16403	3.4
191.14284	1.7
193.12329	1.7
195.11852	2.8
195.13716	2.8
197.13181	4.1
199.11101	2.5
199.14903	2.6
200.20078	24.0
201.12805	4.1
201.16394	2.8
201.20430	15.4
205.15901	1.9
209.13281	2.3
209.15295	3.5
211.14801	3.3
213.12764	3.3
213.16367	4.0
215.14288	3.9
217.15900	3.3
219.13849	4.7
223.14888	3.0
225.16342	2.5
228.23221	18.1
229.23547	11.8
231.13853	2.0
231.17392	4.2
233.15410	3.2
235.16916	4.6
245.15433	3.4
246.24344	2.3
247.17014	3.3
249.18533	5.0
261.18777	1.9
283.26242	17.3
284.26675	14.1
293.22607	2.4
311.23758	4.3
311.29385	10.9
312.11533	1.6
312.29791	16.5
320.18152	2.1
329.24765	5.2
331.26373	3.7
331.62109	1.9
421.30829	3.2
431.29526	7.5
449.30496	12.3
467.31189	8.1
484.47107	16.9
485.37167	12.3
485.47574	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	33.5
55.62903	4.7
57.03406	4.9
57.07084	23.6
61.95364	4.2
64.15334	4.0
65.03913	4.4
67.05498	28.8
67.16525	4.7
69.07063	18.0
70.06590	22.4
71.04980	4.5
71.08632	13.0
71.31378	6.4
79.05495	23.7
81.07056	46.6
83.04979	13.3
83.08608	12.7
85.06555	4.6
87.04472	13.2
88.07629	22.1
91.05476	26.9
93.07033	41.7
95.04952	10.5
95.08608	91.4
97.06530	9.0
97.10161	10.1
102.09184	14.6
104.05777	5.1
105.07013	37.5
107.08602	52.1
109.06524	23.2
109.10148	42.1
111.08076	8.0
113.05962	5.3
117.07003	9.7
119.08576	51.7
121.06516	9.1
121.10143	56.5
123.08020	7.8
123.11686	11.4
125.09625	8.2
131.08559	20.5
133.10146	46.6
135.08051	8.7
135.11664	24.6
137.05969	8.1
137.09587	7.0
139.11240	4.9
143.08536	10.7
145.10127	37.2
147.08118	8.8
147.11671	29.9
149.09628	8.8
149.13271	10.3
155.07011	8.3
157.10086	21.6
159.08031	6.7
159.11691	34.7
161.09683	10.2
161.13272	23.6
163.11182	6.1
163.14877	6.6
164.36819	5.0
169.10146	10.1
171.11703	19.7
173.09633	7.4
173.13268	19.6
175.11186	9.8
175.14792	13.3
177.16298	4.9
181.12282	5.0
183.11678	14.4
185.13312	17.3
187.11176	8.1
187.14828	19.8
189.16425	5.7
191.14381	5.6
197.13312	8.2
199.11171	5.6
199.14833	7.0
200.20111	28.4
201.16435	15.1
201.20313	6.4
203.14317	7.0
211.14827	9.9
213.16415	5.3
215.14313	11.3
219.13687	4.7
221.15271	5.8
227.18044	4.8
228.23256	15.4
229.15791	10.3
229.23578	11.9
233.15486	9.6
235.13091	5.0
235.16882	6.5
237.14772	5.0
247.16853	11.5
283.26340	18.9
284.26666	14.8
311.29288	11.3
312.29797	14.3
327.23160	6.6
331.26273	6.5
331.87192	4.9
345.24216	6.6
351.22665	5.1
386.62384	5.4
421.31079	15.0
425.30466	7.4
431.29733	8.2
439.32043	7.1
449.30542	16.5
467.31329	27.7
484.47318	27.5
485.32626	15.4
485.47638	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.1
55.05521	24.7
57.07076	18.2
65.03955	7.9
67.05507	42.4
69.07078	30.3
69.11025	3.6
69.11358	38.0
70.06599	9.4
71.04993	7.0
71.08630	8.3
79.05496	30.5
81.07060	65.4
83.04982	13.5
83.08638	14.6
87.04465	7.9
88.07652	12.3
91.05471	30.7
93.07045	60.2
95.04988	13.3
95.08614	100.0
97.06546	11.5
97.10182	11.0
99.04471	6.2
99.08090	5.0
102.09189	10.7
105.07031	66.5
107.08593	87.0
107.09288	7.1
109.06539	13.7
109.10152	54.8
111.04458	4.7
111.08100	11.5
112.20179	4.1
113.06019	4.2
117.07043	14.5
119.08586	76.1
121.06527	8.0
121.10143	68.9
123.08094	16.5
123.11707	21.1
125.09667	6.0
129.06995	6.9
131.08578	32.6
133.06560	5.7
133.10144	58.5
135.08080	5.6
135.11693	32.7
137.09657	7.3
137.13300	5.5
137.14818	3.8
139.07559	7.1
142.07854	6.1
143.08577	18.4
145.10135	52.8
146.10562	4.3
147.08076	12.2
147.11725	43.4
149.09665	5.6
149.13295	13.8
153.09102	4.2
155.07028	5.5
156.09277	4.7
157.10155	27.2
159.11696	51.3
161.09647	10.0
161.13271	35.7
161.64929	4.4
163.11186	7.9
163.14830	9.2
165.09192	5.2
169.10092	9.5
171.11641	19.2
172.08832	4.0
173.09637	10.5
173.13268	35.2
175.11208	8.4
175.14790	18.7
177.16408	7.5
179.10704	10.9
181.10121	4.3
183.11723	11.8
185.13329	13.4
187.14832	22.6
189.12784	8.7
189.16463	14.7
191.14394	11.1
197.13293	10.0
199.11287	5.0
199.14903	16.8
200.20128	6.6
201.12688	11.6
201.16437	14.0
203.14346	6.5
203.17944	7.4
207.13823	5.4
211.14851	6.6
213.12779	7.9
213.16476	12.4
215.14394	8.5
217.15965	5.4
219.13841	5.1
227.14322	5.7
227.17984	5.8
228.23265	10.5
229.15883	7.6
231.17415	5.0
233.15347	8.8
235.16927	6.0
241.72217	4.1
247.16949	11.4
261.18564	4.9
283.26379	9.4
284.26715	9.6
287.20218	5.2
311.29523	6.4
312.29953	7.8
325.21359	4.3
327.23276	4.6
345.24286	6.0
395.29584	4.9
407.33130	5.1
421.31021	18.8
435.32416	6.1
439.32483	6.0
449.30508	12.2
467.31366	16.0
484.47153	15.1
485.32230	5.2
485.36798	6.7
485.47400	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.05511	19.3
57.07074	12.6
57.93200	2.7
65.03951	3.2
67.05504	32.1
69.03450	4.4
69.07069	22.4
70.06599	5.9
71.04999	5.7
71.08641	3.8
71.29587	2.6
75.65309	2.3
79.05495	23.5
81.07058	51.9
83.04976	14.5
83.08601	12.6
85.06539	3.7
87.04475	5.9
88.07647	7.8
91.05470	27.4
93.07047	50.8
95.04980	8.7
95.08610	100.0
97.06535	4.9
97.10186	8.5
99.04501	3.3
105.07034	43.8
107.08595	73.8
109.06505	10.2
109.10157	56.0
111.04435	4.2
111.08101	8.1
113.06025	5.1
113.09657	2.6
117.07030	10.4
119.08578	53.2
121.06500	8.7
121.10145	46.8
122.10486	2.2
123.08065	8.1
123.11709	19.1
125.06057	2.7
125.09605	4.2
127.07543	3.9
127.11246	4.1
128.06149	2.9
129.07014	3.4
131.08569	29.9
133.06537	4.7
133.10133	44.5
135.08052	8.9
135.11697	29.5
137.09598	6.7
137.13292	7.8
139.07556	4.1
141.05582	2.3
141.07011	2.5
141.09145	5.0
142.07791	2.5
143.08574	17.4
145.10126	47.5
147.08081	9.8
147.11713	31.8
149.09583	4.9
149.13249	15.6
151.07536	3.6
151.11084	2.6
155.07065	3.5
155.08548	5.5
156.09402	3.1
157.10130	23.3
158.10892	3.5
159.08055	4.4
159.11690	40.2
161.09715	13.1
161.13226	29.0
163.11200	10.6
163.14809	3.7
169.10123	10.0
170.10889	4.7
171.11688	22.5
173.09648	10.1
173.13263	32.2
175.11217	9.0
175.14830	17.0
177.09120	4.7
177.12775	5.0
177.16437	6.7
179.10725	5.3
181.10161	2.4
183.11768	6.9
185.09656	3.8
185.13347	13.4
187.11214	8.8
187.14819	25.6
188.15437	2.7
189.12773	4.4
189.16422	9.6
191.14285	5.7
193.12268	2.7
197.13322	7.9
199.14813	14.8
200.20128	8.2
201.12785	9.4
201.16434	16.6
203.14369	6.6
205.15945	4.5
207.11766	3.3
209.11615	3.1
209.13362	4.5
211.11269	3.5
211.13103	3.8
211.14888	6.3
213.12785	6.9
213.16418	8.8
215.14403	10.2
215.17993	6.9
217.15860	4.8
219.13849	8.9
221.15300	5.5
225.12822	2.8
225.16455	2.7
227.14314	3.1
227.17899	4.9
228.23343	6.7
229.15887	13.0
229.23631	5.2
231.13881	5.0
231.17517	3.1
233.15414	11.1
235.16899	5.3
237.14737	16.4
239.18109	3.8
245.15337	8.3
247.16919	7.8
249.14821	3.2
249.18742	4.7
251.16521	7.2
259.17026	2.8
267.17569	2.6
277.18051	3.4
281.22574	3.0
283.26346	7.0
284.26715	4.1
311.29462	2.8
312.29947	4.8
327.23157	4.6
345.24149	12.3
371.25320	2.8
395.29507	5.8
397.31223	3.0
401.85635	2.7
403.29788	4.4
421.30984	20.2
431.29535	4.2
439.32083	12.4
449.30539	8.5
467.31201	12.6
484.47156	7.0
485.32300	20.1
485.47519	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.2
55.05509	31.2
57.03431	7.2
57.07053	4.2
65.03932	4.4
67.05499	38.2
68.87974	3.3
69.03823	37.1
69.07078	18.1
71.04981	6.5
75.39437	3.6
75.83660	3.5
79.05489	38.3
81.07057	72.6
83.04989	32.8
83.08623	9.8
85.06516	4.1
91.05481	29.4
93.07043	74.5
95.04992	11.1
95.08606	93.8
97.06535	6.0
97.10149	5.5
99.04411	6.5
99.34554	3.5
102.51531	4.1
105.07025	54.5
106.26775	3.6
107.08587	100.0
107.09281	7.3
109.06512	39.2
109.10159	51.6
111.04460	29.0
111.08064	18.8
113.05941	5.2
117.07024	15.6
119.08580	71.2
121.06511	10.8
121.10136	76.9
123.08083	12.2
123.11694	16.6
128.06317	4.0
129.06996	11.5
131.08574	32.1
133.10127	37.9
135.08081	10.7
135.11676	31.4
137.05927	8.9
137.09612	6.6
139.07530	35.1
143.08592	25.1
145.10117	42.8
147.08031	10.7
147.11662	37.8
149.13232	18.1
151.07509	4.4
153.09151	5.2
155.07016	14.9
155.08551	11.1
155.10684	4.8
156.09332	4.7
157.10173	27.7
159.08058	13.2
159.11705	45.3
161.09604	17.2
161.13324	19.7
163.07559	3.6
163.11188	6.9
163.14771	5.8
165.09184	4.7
167.10614	4.9
169.10147	13.5
171.11664	22.1
173.09633	6.3
173.13235	26.4
175.11237	13.2
175.14835	12.7
177.09142	6.9
177.12680	6.2
179.10614	5.0
181.10106	4.3
181.12221	19.6
183.11694	8.0
185.09659	5.9
185.13269	17.8
187.11171	8.9
187.14801	13.4
189.12836	5.7
189.16339	6.2
191.10680	5.8
191.14209	5.0
193.12146	5.0
195.11732	9.4
195.13618	6.1
197.13264	11.6
199.11179	7.9
199.14828	13.5
201.12766	12.5
201.16429	10.6
203.14357	10.7
205.12236	8.0
209.13280	4.7
209.15411	9.3
211.14832	10.8
213.12756	7.4
213.16391	14.3
215.14360	7.8
215.17926	10.3
219.13824	12.7
221.15405	6.7
227.14337	6.6
227.17868	6.4
229.15901	6.6
231.13788	8.4
231.17508	6.1
233.15453	9.6
235.16937	10.6
237.16292	6.3
239.17877	4.2
243.13725	4.8
245.15326	5.4
247.17058	5.6
249.18500	10.0
259.16959	7.7
271.17093	3.8
273.18506	7.6
274.04349	4.2
284.82806	3.9
293.22501	7.4
295.24075	4.4
309.22183	4.9
311.23724	10.4
313.24963	6.1
327.23227	13.8
329.24744	71.3
331.26309	10.6
404.87280	3.9
419.39810	3.8
421.31033	9.3
431.29312	13.4
449.30563	35.2
467.31403	25.2
485.32275	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3264
Annotation	Sodwanone B
Peak:m/z	Relative Intensity
55.01852	4.7
55.05511	33.4
65.03917	5.0
67.05505	42.0
69.03430	5.6
69.07056	28.3
69.60162	22.2
79.05505	40.1
81.07047	65.3
82.07441	5.4
83.04970	29.7
83.08620	19.3
91.05473	52.6
93.07042	79.3
95.04971	20.3
95.08604	100.0
96.08936	6.8
97.06520	12.8
99.04459	9.6
101.06017	5.6
105.07027	78.3
106.07360	7.6
107.04924	8.1
107.08598	88.8
108.08912	7.3
109.06539	18.4
109.10165	47.6
110.10460	4.9
111.04443	18.8
111.08080	18.3
117.07010	21.9
117.44650	5.6
119.08575	85.8
120.08910	9.5
121.06477	10.2
121.10141	52.9
122.10519	5.3
123.08067	25.0
123.11690	16.3
125.09605	6.5
128.06171	9.2
129.07010	9.5
130.01343	4.7
131.08559	38.2
133.06485	12.8
133.10136	56.9
135.08066	40.3
135.11725	25.3
137.05991	6.5
137.09608	6.8
139.07539	23.5
141.06970	6.6
142.07790	13.7
143.08543	32.1
145.10123	65.1
146.10487	7.9
147.08076	9.4
147.11710	38.1
149.09647	12.3
149.13234	15.4
153.09096	6.5
155.08603	14.9
156.09151	5.1
157.10144	44.9
158.10527	5.9
159.08014	8.9
159.11696	50.9
160.12059	12.5
161.09610	30.4
161.13312	22.1
163.11157	13.8
163.14888	5.4
165.09134	6.9
167.08562	5.4
169.10141	16.8
170.10794	7.5
171.11720	26.5
172.08826	7.5
172.12065	6.7
173.09651	20.8
173.13272	33.6
175.11235	12.8
175.14879	15.6
177.09131	7.7
181.10149	9.7
183.11720	15.8
184.39787	4.9
185.09627	14.2
185.13261	26.5
186.13637	5.4
187.11198	18.2
187.14835	29.0
189.12753	7.7
189.16464	7.3
191.10674	9.2
195.11761	9.0
196.12238	5.5
197.13321	16.7
198.13693	7.8
199.11177	11.5
199.14830	14.0
201.12752	20.4
201.16348	9.7
203.14328	16.9
205.12296	7.6
205.15855	4.8
207.11940	5.7
209.09546	5.0
209.13301	13.0
209.15288	5.5
210.13779	5.0
211.11143	5.5
211.14813	18.0
213.12746	19.5
213.16394	13.8
215.14291	13.6
216.14598	5.9
219.13760	9.8
221.13309	9.3
221.15329	14.6
223.14879	9.2
225.12573	8.8
225.16360	7.6
227.14247	8.6
229.15923	12.8
231.13913	10.1
233.15544	6.7
233.22467	4.7
235.14780	10.3
235.17041	8.8
237.16466	8.5
239.14313	10.4
239.17984	8.3
241.15762	6.6
245.15446	10.2
247.16945	21.9
259.16983	6.0
267.17642	8.3
271.17032	5.1
273.18378	10.4
281.07968	11.1
293.19034	5.0
308.54401	4.7
309.22031	8.1
311.23495	6.7
313.10443	5.6
327.23184	18.9
329.24774	35.6
345.13235	13.5
413.28378	7.1
421.30814	17.2
431.29208	15.9
439.31592	17.8
444.26456	5.6
449.26047	17.8
449.30545	35.6
450.26630	7.3
467.31897	47.4
468.31897	8.8
485.32349	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.05512	53.7
56.05846	1.0
57.07078	3.5
57.54248	0.6
58.83387	0.5
61.62676	0.6
67.05505	2.8
69.07061	2.6
69.41403	3.9
70.39231	0.5
71.08604	0.7
79.05486	1.6
81.07067	3.9
83.04981	100.0
83.08634	0.8
84.05318	2.3
89.06049	0.8
91.05488	1.4
93.07048	2.9
95.08607	8.5
96.08968	0.5
97.10179	0.7
98.22508	0.7
105.07030	3.7
107.08599	3.6
109.06631	0.6
109.10173	1.9
119.08560	3.2
121.06518	1.2
121.10165	3.4
123.08087	1.6
131.08589	2.2
133.10132	2.6
135.11711	1.9
137.09723	0.8
141.09146	0.7
145.10123	2.6
147.11729	1.9
149.09613	1.1
157.10149	2.2
159.11678	2.4
161.09602	0.6
161.13307	1.7
163.14822	1.6
165.06990	1.2
169.10065	0.7
171.11719	2.1
173.13322	1.8
175.11220	1.0
182.07278	2.3
183.11652	1.0
185.13287	1.2
185.40608	0.6
191.14275	1.0
197.09676	1.7
197.13222	0.8
199.07588	0.6
199.11171	0.6
199.14879	0.9
203.10677	1.2
203.14447	0.7
210.06702	2.8
211.14880	0.7
213.16356	0.7
222.06920	0.7
223.07515	0.7
225.09105	8.8
225.16501	0.6
227.07133	0.7
227.14517	0.6
233.15466	0.7
238.06335	2.3
239.07085	0.8
240.07893	1.6
243.17471	0.6
251.07185	1.0
252.07986	0.9
253.04933	0.8
253.05887	0.7
253.08582	6.7
254.08986	1.0
255.10213	1.1
266.05853	1.4
268.07349	1.0
270.08951	1.6
279.21356	0.6
281.08075	14.9
282.08792	1.2
282.46796	0.6
283.09482	1.3
285.11288	0.8
293.11603	0.8
297.07443	0.9
298.08456	0.9
311.09088	11.2
312.09570	1.6
313.07492	0.8
313.10635	3.7
328.09509	1.1
343.11783	21.8
344.12042	2.1
345.12582	0.7
351.12344	1.7
354.25348	0.9
383.15042	1.1
403.21420	1.6
421.31189	1.1
431.29382	1.1
439.32147	2.1
449.30310	1.7
467.31589	8.5
468.32458	0.7
485.28342	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
55.05512	58.3
56.05852	0.9
56.15813	0.7
57.07073	4.2
67.05495	3.3
69.07066	1.8
69.41653	1.8
69.42056	3.6
71.04974	0.7
75.26613	0.8
75.69884	0.8
79.05499	2.7
81.07067	5.5
83.04980	100.0
83.08618	1.4
84.05315	1.7
85.10142	0.7
88.65292	0.8
89.06078	1.0
91.05475	2.9
93.07022	4.5
95.08603	10.2
105.07019	3.9
107.08586	6.0
109.06456	1.0
109.10177	1.9
117.07030	1.0
119.08589	5.0
121.10152	3.1
123.08064	1.6
131.08647	1.9
133.10121	3.4
135.08029	1.0
135.11658	1.9
145.10143	3.5
147.08089	1.1
147.11684	2.8
149.09634	1.3
151.51022	0.8
157.10075	1.7
159.11678	2.5
161.09583	0.8
161.13161	1.2
163.11365	1.2
163.14848	1.7
165.06985	1.8
169.10141	1.5
171.11699	2.9
173.09555	1.2
173.13271	1.8
175.11223	1.1
182.07237	2.5
183.11708	2.4
185.13306	1.6
187.14845	1.1
194.07188	1.1
197.09656	2.9
199.14848	1.5
203.10735	1.3
210.06818	5.3
211.14827	0.8
215.14378	0.8
223.07587	1.1
224.48448	0.8
225.05531	0.9
225.09073	10.0
225.16400	0.9
232.16437	0.7
232.94093	0.8
238.06197	3.2
239.17892	0.9
240.07774	1.7
241.08736	1.1
242.09361	1.3
252.07730	1.4
253.05922	1.2
253.08527	9.6
266.05646	1.9
267.06329	0.9
268.07254	2.1
270.08823	1.0
280.07111	0.9
281.08069	14.0
282.08594	1.4
283.09683	1.3
285.11288	1.2
296.06799	1.0
297.07574	1.1
311.09100	11.5
312.09485	1.1
313.10681	3.5
313.27271	1.0
328.09204	1.9
336.26117	0.9
343.11728	20.4
344.12097	3.0
351.11957	1.2
354.25580	1.0
383.14780	1.3
403.21140	1.2
439.31924	1.6
449.30240	1.0
467.31549	9.8
468.31766	1.0
485.28479	9.9
486.28775	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.7
55.05506	18.4
59.96560	4.0
62.97592	3.5
67.05503	30.7
69.07052	13.8
70.33452	5.9
70.33819	11.5
79.05487	41.3
81.07055	86.1
83.04981	15.4
83.08614	9.8
91.05464	32.1
93.07045	76.4
95.04963	9.6
95.08603	100.0
97.06552	5.3
99.04472	3.8
105.07034	52.8
107.08588	87.3
109.06528	42.0
109.10144	35.9
111.04445	9.2
111.08065	5.4
117.07030	8.4
119.08569	77.6
121.06470	7.4
121.10136	59.5
123.08058	8.4
123.11704	14.1
125.05984	4.6
129.07022	4.6
131.08554	30.7
133.06508	4.6
133.10126	51.9
134.56535	4.5
135.08047	15.0
135.11670	32.3
137.05981	15.9
137.13203	4.6
139.07571	9.3
139.73891	3.9
142.07829	6.0
143.08574	18.4
145.10150	44.3
147.08052	6.7
147.11676	32.8
149.09627	8.9
149.13243	23.1
153.09138	8.3
155.07013	24.4
155.08296	6.2
157.10114	20.9
159.08005	11.3
159.11682	28.2
161.09601	22.7
161.13260	17.6
163.11180	14.2
163.14833	4.8
165.09215	4.6
167.10612	5.3
169.10133	10.5
171.11681	17.9
173.09622	7.2
173.13280	22.5
175.11166	14.6
175.14763	10.6
181.10121	3.9
181.12201	14.5
182.29982	4.1
183.11667	11.8
185.09552	6.7
185.13239	20.3
187.11143	11.6
187.14784	16.6
189.12727	9.6
189.16322	11.5
191.14371	5.0
195.11679	7.9
195.13765	4.7
197.13281	10.7
199.11238	5.0
199.14825	12.2
201.12724	16.2
201.16373	8.0
203.14281	9.1
203.17973	5.9
207.13768	8.5
209.13303	4.7
209.15373	11.2
211.14830	15.7
213.12766	11.7
213.16455	11.0
215.14403	7.6
217.12283	4.7
217.15880	8.6
219.13834	15.7
221.15355	9.5
227.14279	8.6
229.15732	6.0
231.13846	8.4
231.17422	6.3
233.15401	9.7
235.16919	12.2
239.17950	5.8
245.15376	5.0
247.17026	5.5
249.18518	21.9
253.19620	4.9
259.17014	5.3
293.22473	6.3
311.23746	11.8
329.24686	15.8
331.26273	13.7
389.24734	4.6
413.28638	5.6
421.30591	5.6
431.29517	26.7
432.86621	4.6
449.30524	39.6
467.31497	17.4
485.33261	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.7
55.05506	18.4
59.96560	4.0
62.97592	3.5
67.05503	30.7
69.07052	13.8
70.33452	5.9
70.33819	11.5
79.05487	41.3
81.07055	86.1
83.04981	15.4
83.08614	9.8
91.05464	32.1
93.07045	76.4
95.04963	9.6
95.08603	100.0
97.06552	5.3
99.04472	3.8
105.07034	52.8
107.08588	87.3
109.06528	42.0
109.10144	35.9
111.04445	9.2
111.08065	5.4
117.07030	8.4
119.08569	77.6
121.06470	7.4
121.10136	59.5
123.08058	8.4
123.11704	14.1
125.05984	4.6
129.07022	4.6
131.08554	30.7
133.06508	4.6
133.10126	51.9
134.56535	4.5
135.08047	15.0
135.11670	32.3
137.05981	15.9
137.13203	4.6
139.07571	9.3
139.73891	3.9
142.07829	6.0
143.08574	18.4
145.10150	44.3
147.08052	6.7
147.11676	32.8
149.09627	8.9
149.13243	23.1
153.09138	8.3
155.07013	24.4
155.08296	6.2
157.10114	20.9
159.08005	11.3
159.11682	28.2
161.09601	22.7
161.13260	17.6
163.11180	14.2
163.14833	4.8
165.09215	4.6
167.10612	5.3
169.10133	10.5
171.11681	17.9
173.09622	7.2
173.13280	22.5
175.11166	14.6
175.14763	10.6
181.10121	3.9
181.12201	14.5
182.29982	4.1
183.11667	11.8
185.09552	6.7
185.13239	20.3
187.11143	11.6
187.14784	16.6
189.12727	9.6
189.16322	11.5
191.14371	5.0
195.11679	7.9
195.13765	4.7
197.13281	10.7
199.11238	5.0
199.14825	12.2
201.12724	16.2
201.16373	8.0
203.14281	9.1
203.17973	5.9
207.13768	8.5
209.13303	4.7
209.15373	11.2
211.14830	15.7
213.12766	11.7
213.16455	11.0
215.14403	7.6
217.12283	4.7
217.15880	8.6
219.13834	15.7
221.15355	9.5
227.14279	8.6
229.15732	6.0
231.13846	8.4
231.17422	6.3
233.15401	9.7
235.16919	12.2
239.17950	5.8
245.15376	5.0
247.17026	5.5
249.18518	21.9
253.19620	4.9
259.17014	5.3
293.22473	6.3
311.23746	11.8
329.24686	15.8
331.26273	13.7
389.24734	4.6
413.28638	5.6
421.30591	5.6
431.29517	26.7
432.86621	4.6
449.30524	39.6
467.31497	17.4
485.33261	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99500	2.8
53.03942	5.1
55.05516	20.5
57.07062	5.7
67.05503	35.6
69.07061	17.5
69.13475	15.9
69.13896	10.3
71.05015	4.8
75.11140	3.2
79.05494	29.5
81.07065	38.8
83.04996	19.3
83.08622	7.5
85.06544	5.0
85.81937	3.4
89.34751	3.2
91.05486	27.5
93.07043	61.6
95.04955	12.6
95.08608	100.0
96.08943	3.2
97.06528	11.4
98.23461	4.8
101.02415	3.8
105.04524	3.1
105.07032	61.7
107.08593	65.2
109.06524	12.1
109.10168	31.9
111.04426	5.1
111.08069	14.0
113.09626	10.6
117.07007	13.5
119.08585	70.7
121.06511	15.3
121.10151	37.9
123.08057	21.6
123.11722	12.0
129.06999	7.3
129.11206	3.4
131.08562	36.0
133.06535	5.8
133.10126	57.9
134.10599	3.2
135.08084	14.8
135.11679	25.7
137.09616	7.3
139.07515	7.7
142.07758	4.1
143.08583	19.3
143.09511	3.3
144.09270	4.0
145.10127	48.7
147.08055	30.4
147.11659	33.3
149.09618	13.4
149.13278	7.1
150.10059	3.6
153.09059	5.9
155.08513	9.9
157.10114	26.6
159.08051	13.1
159.11728	37.8
161.09610	26.2
161.13222	21.2
163.07469	6.0
163.11168	13.1
165.09088	4.8
167.08475	3.2
169.10126	11.3
171.07858	3.7
171.11684	24.2
173.09644	18.0
173.13254	32.4
175.07532	4.5
175.11217	20.5
175.14825	11.5
177.09088	8.7
177.12766	7.4
179.10626	5.5
181.10213	3.5
183.11725	13.5
184.08754	3.0
184.12288	3.3
185.09720	6.4
185.13252	15.9
187.11212	13.7
187.14803	18.7
189.12756	13.9
189.16374	4.6
191.10654	6.9
191.14284	4.3
193.10130	4.0
193.12149	4.0
195.11703	10.2
195.13800	7.5
197.13281	16.3
199.11186	4.6
199.14793	9.6
201.12714	17.3
201.16399	8.3
203.14354	10.6
205.12273	5.2
205.15790	3.7
207.13782	5.5
209.13361	7.0
211.14803	12.1
213.12764	10.6
213.16406	5.9
215.14337	26.6
217.15831	9.9
219.13863	15.3
221.15335	9.2
225.16443	4.8
226.27515	3.9
229.15868	17.7
231.13800	4.4
233.15378	21.2
235.16869	7.1
237.16388	4.5
239.18018	5.8
241.15872	3.8
245.15453	7.4
247.16833	14.9
251.16220	7.8
257.15253	5.0
259.16885	4.6
265.18082	5.2
266.05701	3.5
271.16824	5.2
282.08917	6.6
283.06049	4.3
283.09354	3.6
297.07468	3.5
298.08337	7.4
299.09180	5.5
299.20065	3.8
309.21893	6.7
313.10675	12.0
327.23044	15.9
345.24072	10.1
371.25687	4.1
403.29749	4.1
421.30966	9.8
431.29541	17.6
432.29800	5.6
439.31815	9.6
449.30536	36.7
450.30896	5.3
467.31586	55.9
468.31662	6.3
485.32574	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12973	4.7
52.90625	4.9
53.03942	12.7
53.81134	5.2
55.05513	49.2
57.07080	7.9
59.05001	10.0
66.28464	6.3
67.05508	38.1
69.03452	5.7
69.07072	21.3
71.29836	7.3
79.05495	33.7
81.07056	48.2
83.04993	63.4
83.08611	8.4
91.05478	42.1
93.07040	76.8
95.04962	15.5
95.08607	100.0
97.06496	7.4
99.04370	5.7
105.07022	69.6
107.08603	63.7
109.06538	14.6
109.10155	35.7
111.04424	21.7
111.08101	25.9
117.07037	20.4
119.08583	92.5
121.06510	26.1
121.10150	66.9
123.08067	33.7
123.11662	8.6
125.09642	5.5
129.06960	12.5
131.08546	39.5
133.10117	49.2
135.08078	20.9
135.11740	20.7
136.92331	5.9
137.09644	9.1
139.07544	23.2
141.07034	5.8
142.07759	13.3
143.08562	38.5
145.10133	51.8
147.08047	29.5
147.11670	30.1
149.09596	14.6
149.13261	10.0
155.08549	23.8
156.09355	11.3
157.10153	54.5
159.08107	13.8
159.11678	45.2
161.09641	33.6
161.13284	20.9
163.11238	10.2
165.09149	11.5
169.10141	21.5
171.08012	6.4
171.11684	42.0
173.09633	18.4
173.13257	32.7
175.11168	16.3
175.14841	7.7
179.08549	12.5
181.10107	11.0
183.11659	26.5
185.09566	12.9
185.13336	21.8
187.07678	5.6
187.11211	16.6
187.14839	17.7
189.09157	8.0
189.12804	17.0
189.16328	6.3
191.10817	7.0
193.10141	14.3
194.10898	7.1
195.11740	17.1
197.09579	10.8
197.13266	24.8
199.11246	13.0
199.14818	20.9
201.12752	23.8
201.16507	10.6
203.10794	6.8
203.14355	12.1
207.11702	8.5
209.13286	16.1
210.06781	8.1
211.11263	10.4
211.14789	19.3
213.12677	10.4
213.16411	12.7
215.14355	6.8
217.15794	5.7
219.13773	8.8
220.12460	6.2
221.13327	11.8
223.10942	6.1
223.14847	13.3
225.09224	10.9
225.12715	13.1
225.16347	11.3
227.14369	15.4
227.17943	9.0
229.19440	5.3
231.13777	13.6
233.13326	7.7
233.15514	8.7
237.12740	7.8
237.16455	6.6
239.14236	10.0
243.13733	8.1
247.14729	7.7
247.17203	6.5
249.16499	8.3
251.10690	5.3
251.14111	5.9
253.08618	7.4
253.15694	7.6
263.17953	8.1
265.15985	9.0
267.17554	9.8
269.15567	5.4
271.16864	9.6
279.17477	7.4
281.07990	13.2
281.19150	7.2
291.17664	9.3
307.20505	6.4
309.18515	7.8
309.22131	11.6
311.09152	9.8
327.19736	7.0
327.23129	11.8
329.24841	34.9
343.11768	23.6
403.26059	9.6
405.28015	9.8
409.23621	6.6
421.27145	8.5
431.25223	40.2
449.26102	64.8
467.27664	37.5
467.32028	21.2
485.27795	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	19.0
57.07075	14.2
67.05513	31.9
69.07061	14.0
71.32516	8.9
79.05490	29.4
81.07055	68.4
83.08611	11.2
87.04457	19.7
88.07633	7.7
90.10770	6.7
91.05492	25.0
93.07039	57.7
95.04964	11.2
95.08606	100.0
97.06516	8.4
102.09144	6.8
105.07024	57.4
107.08613	56.2
109.06503	17.5
109.10151	42.3
111.08095	17.2
119.08589	53.0
121.06491	15.5
121.10162	41.2
123.08084	24.7
123.11732	11.2
125.09638	6.5
129.06975	7.0
131.08565	29.8
133.10115	57.0
135.08107	17.2
135.11710	25.5
137.09618	7.4
138.55724	5.9
139.05524	5.7
141.09103	6.6
143.08568	11.3
145.10103	40.6
147.08032	21.0
147.11736	35.0
148.52158	7.1
149.09621	8.9
149.13216	6.9
157.10109	24.1
159.08043	13.4
159.11696	32.5
161.09595	25.2
161.13254	23.8
163.11212	12.7
165.09122	6.2
169.10117	9.3
171.11717	24.6
173.09608	12.4
173.13300	23.2
175.11232	20.3
175.14876	6.9
183.11684	10.9
187.11237	10.0
187.14809	22.4
189.12767	8.6
191.10529	6.1
195.13687	11.4
197.13225	10.2
199.14764	10.5
201.12721	10.6
201.16397	10.3
203.14317	13.3
211.14943	9.6
215.14354	22.0
221.15474	7.8
228.23276	15.7
229.23531	12.1
231.17270	8.5
233.15314	19.5
235.17029	15.4
247.16930	17.0
256.26376	7.9
283.26038	7.2
325.21442	7.4
327.23233	10.5
357.27771	8.1
398.74930	7.2
431.29303	18.4
449.30630	31.9
450.30185	7.8
467.31598	39.0
484.46848	10.0
485.31528	12.9
485.36450	10.2
485.47610	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.3
55.05513	23.3
57.07072	9.1
57.49212	2.9
59.05013	3.0
67.05500	28.4
69.07056	16.6
71.04993	3.5
79.05491	26.8
81.07058	58.0
83.04984	8.4
83.08619	12.5
91.05464	24.8
93.07047	53.4
95.04972	10.0
95.08607	100.0
97.06530	11.7
97.10165	7.1
98.22556	6.8
99.04484	4.2
105.07031	45.9
107.08594	81.8
109.06516	12.7
109.10160	54.1
111.04462	3.8
111.08103	10.5
113.05953	4.4
113.09676	4.5
117.07010	10.7
119.08583	65.8
121.06519	5.9
121.10143	60.8
123.08057	11.2
123.11703	23.1
129.07039	5.5
131.08572	25.9
133.10129	56.6
135.08022	9.0
135.11690	30.5
137.09639	3.6
137.13213	6.9
139.07500	6.7
141.09087	5.8
143.08580	13.9
144.09285	3.7
145.10126	52.0
147.07996	9.2
147.11679	47.2
149.09619	8.6
149.13277	18.7
153.09143	6.5
155.08586	6.5
155.10745	3.4
156.09207	3.7
157.10126	22.3
159.08101	3.6
159.11697	51.1
161.09663	14.7
161.13239	49.6
162.13521	3.8
163.11188	14.8
163.14777	9.5
165.09129	7.6
167.10638	6.9
169.10088	6.9
171.11694	18.6
173.09576	6.7
173.13257	44.9
175.11208	13.9
175.14833	33.1
177.09177	6.5
177.16405	9.6
179.10750	7.4
180.98007	3.7
181.12248	9.9
183.11728	6.0
185.13248	19.4
187.11195	7.0
187.14809	34.7
189.12761	5.7
189.14818	3.1
189.16351	19.9
191.10654	5.5
191.14331	6.9
195.13783	5.7
197.13266	5.6
199.14778	17.4
201.12741	6.5
201.16380	29.0
203.14392	10.3
203.17944	6.2
205.12260	3.4
205.15871	6.2
209.15387	4.3
211.14798	6.9
213.12766	4.6
213.16301	8.7
215.14281	10.5
215.18004	11.8
217.15952	13.1
219.13737	7.9
219.17444	4.5
221.15410	6.9
223.16939	4.8
225.16457	6.6
227.14384	5.7
227.17847	4.4
228.94043	4.5
229.15889	13.2
231.13841	7.7
231.17404	7.4
233.15320	6.6
235.16911	15.5
237.14841	11.0
241.15842	4.0
241.19495	5.8
243.17610	3.8
245.15439	6.3
247.16898	9.4
249.18552	12.1
253.19498	3.4
261.18576	12.5
263.16409	3.4
269.19156	4.4
275.20114	5.5
309.22186	4.6
313.21457	3.6
327.23077	6.5
345.24509	5.7
393.31747	3.8
395.29605	6.4
397.31055	7.6
403.29828	5.2
407.33282	11.9
417.31516	10.8
421.30914	19.7
425.34412	6.5
431.29349	6.7
435.32553	25.7
439.32043	11.4
449.30380	14.5
453.33521	5.4
467.31024	18.3
485.31754	10.3
485.47525	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3627
Annotation	Regelin
Peak:m/z	Relative Intensity
53.03938	4.8
55.05518	20.4
57.07077	8.7
59.04992	1.9
63.07803	1.4
63.83387	1.6
65.03942	5.3
67.05504	41.5
69.03465	3.7
69.03868	14.1
69.07075	19.2
70.06594	1.9
70.20762	1.8
71.04987	4.9
71.08619	2.5
77.92765	1.5
79.05496	35.3
81.03391	2.2
81.07059	59.5
83.04973	2.9
83.08619	10.1
85.06564	3.3
87.04464	3.3
88.07629	3.6
89.06036	1.6
91.05474	26.9
93.07046	87.6
95.04983	11.3
95.08610	100.0
97.06527	6.6
97.10181	3.7
98.22623	2.5
99.04482	1.6
101.06006	1.7
102.09157	1.9
103.30000	1.4
105.04539	2.4
105.07035	52.9
107.08595	74.3
108.08933	2.6
109.06501	4.3
109.10156	46.7
111.08092	6.3
113.06011	4.0
115.07561	1.6
117.07023	9.2
119.08583	64.2
120.08922	1.5
121.06534	7.9
121.10142	71.5
122.10516	2.0
123.08063	14.9
123.11703	22.3
125.09618	6.0
127.07556	7.2
129.06982	4.4
131.08572	19.2
133.06531	2.5
133.10132	51.0
134.10442	2.1
135.08064	11.2
135.11694	30.7
137.09608	4.7
137.13304	3.6
141.09125	2.3
142.07777	1.9
143.08594	8.6
144.09326	3.3
145.10114	28.5
147.08014	7.0
147.11684	37.3
149.09624	9.0
149.13268	17.4
151.11168	2.2
153.09087	12.0
153.12724	1.9
155.08607	2.6
155.10641	7.5
156.09320	1.8
157.10155	10.8
158.10960	2.0
159.08032	2.1
159.11691	27.1
161.09637	12.3
161.13255	38.1
163.11191	13.4
163.14804	7.0
165.09138	3.5
167.10632	8.1
169.10130	3.5
171.11652	5.3
173.09647	5.3
173.13260	26.5
175.11177	15.1
175.14841	22.3
177.12746	3.2
177.16368	5.0
179.10712	4.3
179.14352	1.6
181.12196	15.7
183.11699	2.1
185.13258	4.9
187.11143	2.5
187.14816	15.5
188.15160	1.4
189.12762	6.5
189.16408	15.5
191.14293	3.2
191.17986	1.7
193.12320	4.4
193.15865	1.8
195.13823	6.7
197.13338	2.0
199.14828	6.9
200.20012	2.2
201.12743	4.7
201.16391	14.2
203.14322	7.0
203.18054	4.5
205.15883	2.9
207.13907	2.6
209.15385	5.6
213.16367	2.2
215.14244	4.9
215.17995	4.3
217.15941	10.0
219.13875	1.8
219.17473	2.5
221.15347	4.1
223.16922	3.1
225.16504	2.2
228.23189	2.3
229.15984	8.3
229.19536	1.6
231.17383	5.8
235.16920	10.8
237.18501	5.1
243.17436	3.5
245.19060	2.0
247.17021	3.9
249.18504	12.2
261.18604	7.5
275.19971	4.0
284.26645	1.7
310.38031	1.6
339.26837	1.8
397.30884	5.9
407.33087	2.6
417.31485	4.8
425.33994	5.5
435.32639	11.6
453.33698	5.3
467.35538	2.1
484.47113	3.1
485.30676	1.6
485.36423	19.2
485.47406	9.9
486.37021	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
53.92250	1.6
55.01869	16.0
55.05510	38.0
57.03430	4.2
57.07066	5.9
59.04994	9.1
62.06481	1.5
65.03914	2.5
67.05502	38.2
69.03423	21.3
69.07064	43.0
69.19666	8.1
69.20069	2.7
71.04986	5.0
71.08629	1.6
73.06546	8.4
77.03907	2.1
79.05489	34.5
81.07056	64.1
83.04974	14.2
83.08620	17.6
85.06535	7.5
91.04955	3.1
91.05475	32.6
93.07042	52.6
93.09340	1.9
95.04977	9.2
95.08602	63.6
97.06519	12.1
97.10156	10.8
98.22574	1.7
99.08059	4.6
103.05416	2.0
105.07028	50.8
107.08588	100.0
108.08947	2.2
109.06521	20.6
109.10150	79.2
110.10498	1.9
111.04422	1.8
111.08084	20.5
113.06015	2.0
113.09625	2.4
115.05435	3.5
115.07559	14.0
117.07000	12.0
119.08579	68.4
120.08911	2.1
120.68726	2.2
121.06488	6.4
121.10136	54.6
121.11013	3.0
123.08057	14.2
123.11729	13.2
125.09625	29.3
127.07545	3.6
128.06189	1.8
129.06981	5.9
129.09163	4.0
131.08559	24.1
133.06528	2.3
133.10124	70.3
134.10474	2.0
135.08047	8.6
135.11688	29.5
137.09628	15.4
137.13235	9.6
139.07550	3.7
139.11195	11.4
141.06984	2.7
142.07813	4.0
143.08527	16.1
143.10672	2.2
144.09302	3.1
145.10114	29.6
147.08023	5.6
147.11674	53.3
149.09630	10.9
149.13235	8.8
151.11150	6.0
153.09108	4.4
155.08575	8.2
155.10616	2.1
156.09319	4.8
157.10127	23.2
157.12242	5.6
158.10878	2.4
159.08031	2.7
159.11673	26.8
161.09612	14.5
161.13231	13.4
163.11177	11.5
163.14771	2.2
164.11382	1.5
165.09065	3.7
165.12741	46.9
167.10686	3.8
169.10178	8.7
169.12242	4.1
170.10780	2.2
171.11700	15.9
173.09627	6.6
173.13225	23.4
175.11195	21.0
175.14816	23.7
177.12752	6.2
177.16377	3.4
179.10660	3.5
181.10081	5.9
181.12219	5.9
182.10913	2.0
183.11694	9.9
184.12279	1.5
185.09590	4.6
185.13280	15.9
187.11133	4.6
187.14796	13.9
189.12779	5.9
189.16374	5.8
191.14265	3.3
193.10608	2.0
193.12245	12.3
193.15829	5.1
195.11641	7.7
195.13577	2.2
197.13214	10.9
199.11172	6.8
199.14830	14.9
201.12735	6.6
201.16431	3.5
203.14372	8.5
205.15889	2.3
207.11716	3.2
207.13747	4.0
209.13249	8.4
209.15401	4.4
211.11259	2.8
211.14844	5.2
213.12775	3.9
213.16258	6.2
215.14355	3.7
215.17932	2.4
217.12238	2.4
217.15837	13.7
219.13731	2.3
221.13347	3.6
221.15286	12.6
223.11238	2.0
223.14795	9.0
225.12828	2.9
225.16403	4.2
227.14279	6.5
227.18024	2.5
229.15878	4.1
231.17462	5.9
233.15269	4.1
235.16862	2.5
237.12703	1.9
237.16281	4.8
239.14317	3.3
239.17963	2.0
241.15881	6.9
241.19405	2.3
243.17419	1.8
245.15364	3.7
247.16975	4.4
249.16245	3.1
249.18484	20.8
253.19453	4.0
259.16876	5.1
265.15738	3.6
265.19547	2.3
269.19003	2.6
273.18552	2.4
277.21545	3.0
283.17279	2.3
283.20566	9.7
297.22000	2.1
299.19928	3.2
301.21545	5.7
313.21710	2.8
313.27255	4.6
315.23206	20.3
325.21729	12.5
327.23221	2.9
333.24377	4.1
335.23462	2.5
337.24997	1.9
339.23267	2.0
343.22610	3.4
352.11966	2.0
367.26392	3.0
379.26144	3.3
393.27765	2.9
417.31360	3.3
425.30484	17.2
426.30856	2.6
435.32510	11.5
449.34167	3.1
453.33817	3.2
454.71988	1.8
466.05191	1.8
467.34995	8.5
485.35941	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3626
Annotation	Regelin
Peak:m/z	Relative Intensity
53.03951	2.6
55.05512	41.3
57.07074	7.0
59.04980	2.0
65.03936	1.7
67.05507	40.7
69.03458	2.4
69.07072	34.9
69.08055	16.7
71.08616	1.6
71.76143	1.6
73.06564	10.7
79.05495	21.6
81.07058	60.4
83.04975	3.5
83.08614	23.4
83.53545	1.6
85.06528	3.4
91.05482	20.8
93.06463	3.2
93.07047	57.8
95.04974	7.5
95.08608	100.0
96.08919	2.1
97.06539	15.1
97.10178	24.8
99.08134	3.3
103.67920	1.6
105.07033	36.0
107.08595	71.7
108.08913	2.4
108.56668	1.4
109.06528	6.1
109.10158	59.0
109.10912	2.9
111.04458	2.1
111.08094	8.7
113.06047	5.6
115.05441	1.9
115.07576	18.0
117.07034	6.1
119.08579	52.7
121.06525	4.6
121.10144	67.4
123.08087	14.7
123.11713	29.2
125.09635	14.7
129.07057	2.6
129.09148	9.4
129.09969	1.8
131.08569	16.4
133.06517	1.9
133.10129	46.4
135.08069	6.9
135.11702	34.3
135.12685	2.8
137.09625	5.5
137.13283	8.0
139.07547	2.1
139.11162	2.0
141.09123	9.4
143.08574	5.6
143.10695	3.0
144.09264	1.6
145.10112	24.2
147.08012	4.2
147.11679	37.4
147.12750	3.2
149.09593	10.3
149.13255	13.8
151.11249	3.8
151.14876	2.3
155.08580	2.2
155.10675	4.8
157.10152	7.8
157.12198	15.0
158.10954	1.8
159.08128	2.3
159.11693	22.5
161.09639	7.4
161.13271	37.7
162.13617	2.4
163.11192	11.2
163.14839	7.1
167.10689	6.1
169.10132	5.6
169.12321	2.2
171.11624	8.6
173.09645	3.6
173.13245	16.6
175.11192	11.0
175.14851	14.3
177.12788	5.7
177.16393	7.3
179.10640	3.0
181.12198	14.7
183.11673	3.1
185.13364	4.0
187.11211	3.7
187.14809	9.6
189.12758	7.7
189.16383	11.2
191.14400	3.6
193.12228	6.8
195.12097	1.9
195.13783	13.0
197.13281	6.6
199.14844	6.9
201.12828	3.0
201.16347	9.0
203.14423	5.3
203.17955	3.8
205.12321	2.2
205.15878	4.9
207.13794	5.0
209.13434	3.0
209.15398	8.4
211.14922	5.6
213.12823	2.1
213.16341	5.1
215.14328	5.5
215.18015	2.7
217.15929	6.6
219.13733	3.1
219.17447	4.4
221.15262	11.3
223.17029	2.8
225.16370	3.0
227.14401	2.6
229.15881	6.1
231.17470	5.7
233.15338	4.7
235.16975	15.8
237.18434	10.3
239.17993	2.0
241.15836	2.5
245.15443	2.1
247.16974	20.0
249.18593	9.7
251.20073	10.1
257.18967	2.6
261.18463	2.6
263.20065	18.4
265.21725	2.4
273.18640	2.3
275.20038	4.0
287.19943	2.6
289.21628	5.8
301.21570	3.2
303.23251	3.6
309.22168	2.2
311.23706	2.2
315.23346	2.5
317.24741	2.8
329.24728	4.9
339.23074	2.4
343.26212	4.6
357.27826	3.2
371.29663	2.9
401.26862	8.2
407.33099	3.6
411.32712	3.0
415.28326	2.6
417.31256	2.7
435.32550	10.0
439.35767	6.9
453.33682	3.9
467.35483	15.3
485.36273	28.5
485.47415	3.8
486.36166	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11822	3.9
55.05516	16.6
56.14636	3.6
57.07066	10.6
67.05502	34.4
69.07079	19.1
69.15867	3.8
70.06577	4.6
79.05488	27.3
79.95502	3.8
81.07049	51.9
82.53782	3.6
83.08608	13.1
85.06522	4.7
87.04469	12.2
88.07623	3.9
91.05486	23.7
93.07033	50.8
95.04980	4.6
95.08603	100.0
97.06506	12.1
97.10128	5.7
99.04438	4.0
102.09179	5.5
105.07021	34.6
107.08587	63.9
109.06476	4.6
109.10146	39.3
111.08078	6.4
117.06964	4.7
119.08574	51.4
121.06509	4.0
121.10140	47.5
123.08038	8.1
123.11693	19.7
125.09590	4.6
131.08568	17.9
133.10107	41.2
135.08046	6.0
135.11670	28.6
137.09692	3.8
137.13264	7.4
141.09131	5.0
143.08514	5.8
145.10101	19.4
146.98877	3.7
147.08086	4.9
147.11650	29.4
149.09621	10.0
149.13239	13.6
153.09053	3.4
157.10123	8.3
159.07962	4.9
159.11662	27.3
161.09618	14.1
161.13263	38.7
163.11198	10.8
163.14801	5.9
165.09131	4.5
166.28000	3.3
167.10643	3.9
168.94308	3.3
170.11101	3.9
171.11589	3.8
173.13239	17.3
175.11171	19.3
175.14839	15.3
177.12769	4.8
177.16431	6.5
181.12282	6.6
185.13271	7.1
187.14786	14.4
189.16351	11.9
193.15891	3.8
195.13789	9.6
199.14748	5.0
200.20035	4.0
201.12730	3.7
201.16444	8.2
203.14285	4.8
209.15340	3.6
213.16338	5.2
217.15881	6.3
219.17477	4.9
221.15353	5.4
223.16951	4.0
228.23216	4.4
229.15823	4.7
229.23587	6.4
231.17442	6.2
233.15308	5.9
235.16927	11.3
247.16867	16.4
249.18414	8.2
261.18542	4.7
275.20200	5.7
281.06104	4.2
284.26718	3.6
294.43591	3.6
346.16223	3.8
378.64258	3.3
387.74756	3.4
435.32486	9.4
467.35049	8.5
470.71628	3.5
484.47000	6.5
485.36145	9.7
485.47342	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3628
Annotation	Stowardolic acid
Peak:m/z	Relative Intensity
55.05513	28.6
57.07077	10.4
67.05509	33.7
69.07076	21.9
71.04984	4.4
71.21507	5.2
71.21846	4.5
72.78397	4.4
79.05499	22.0
81.07066	57.4
83.04993	9.7
83.08615	11.4
87.04465	13.5
91.05488	33.9
93.07055	57.7
95.04985	10.5
95.08615	100.0
97.06556	5.3
99.08122	6.2
105.07037	46.7
107.08595	67.5
109.06541	4.4
109.10169	42.9
111.08084	7.5
113.06003	8.0
117.07040	8.3
119.08581	62.5
121.06534	10.5
121.10151	65.4
123.08096	15.0
123.11732	20.2
125.09579	5.8
129.25578	4.0
131.08588	17.1
133.10139	62.3
135.08083	11.2
135.11716	28.9
137.09595	8.1
137.13193	6.1
141.09113	4.2
142.49217	4.4
143.08607	8.3
145.10114	29.2
147.08080	10.6
147.11697	29.9
149.09627	7.4
149.13280	16.5
157.10149	15.0
159.08104	4.7
159.11734	28.3
161.09619	21.6
161.13286	34.1
163.11201	14.8
163.14879	9.3
167.10626	7.6
169.10181	5.3
171.11700	8.9
173.13309	15.8
175.11256	15.5
175.14880	17.5
177.12682	4.7
179.10660	5.1
181.12233	7.9
183.11690	5.5
185.13245	7.4
187.14812	12.0
189.12790	8.2
189.16428	12.8
193.15967	6.2
195.13817	10.8
197.13243	6.3
201.16446	12.4
203.14542	4.9
205.15898	4.7
207.14003	4.1
215.14409	5.0
215.17982	7.2
217.15836	9.8
221.15434	6.7
223.16879	5.3
229.15823	4.4
231.17628	7.3
235.16937	12.1
237.18483	6.2
247.16965	16.6
249.18513	11.2
251.20166	6.0
256.26398	6.4
261.18719	4.7
263.20004	8.5
370.56503	4.6
435.32779	5.5
467.35764	5.2
485.28513	6.9
485.36292	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.9
55.01872	3.4
55.05506	23.3
57.07069	7.1
59.05004	3.0
62.61369	2.1
67.05507	43.8
69.07063	26.8
71.04982	4.2
77.03924	2.9
79.05493	25.5
81.07057	68.6
83.04987	4.4
83.08613	13.4
85.06532	4.2
87.04454	4.8
91.05479	31.0
92.80598	2.8
93.07047	73.9
95.04968	11.4
95.08607	100.0
95.56041	2.2
96.08904	3.4
97.06513	8.9
97.10133	4.6
105.07030	73.3
107.08591	77.4
109.06522	7.8
109.10165	50.8
111.08076	4.5
117.07008	11.2
119.07839	1.7
119.08579	81.5
121.06511	7.5
121.10145	82.8
123.08045	10.7
123.11710	25.2
125.09634	2.7
129.06979	3.9
129.09059	2.7
131.08572	27.4
133.06519	3.4
133.10126	60.9
133.11055	4.9
135.08083	15.0
135.11691	37.2
137.09569	3.0
137.13245	5.0
141.09048	3.0
142.07802	2.4
143.08548	10.4
144.09247	4.7
145.10124	43.6
147.08080	10.3
147.11697	47.7
149.09595	10.6
149.13274	20.1
153.09108	10.7
157.10173	19.2
159.08049	3.2
159.11690	45.9
160.11926	2.6
161.09683	15.3
161.13252	57.0
163.11171	15.7
163.14786	9.9
165.09126	5.3
165.12767	2.9
167.10703	10.5
169.10153	4.3
171.11732	12.9
173.09569	3.4
173.13277	34.9
175.11252	13.9
175.14815	28.3
177.12741	5.5
177.16383	8.9
179.10612	2.6
181.10733	3.2
181.12251	18.4
183.11707	5.2
185.13240	10.9
187.11171	5.7
187.14795	23.2
189.12668	5.1
189.16371	27.1
193.15775	3.4
195.13773	6.8
197.13239	5.0
199.14821	8.9
201.12668	3.8
201.16364	24.5
203.03192	3.0
203.14296	8.5
203.17961	9.2
205.08511	3.0
205.15834	2.5
209.13580	2.4
209.15387	10.0
211.14819	4.4
213.16385	7.9
215.14359	6.6
215.17947	10.0
217.15852	13.7
217.19461	4.8
219.13805	3.8
219.17516	4.6
223.14804	3.4
223.16907	7.6
225.16388	4.3
227.14459	3.1
227.17822	2.8
229.15889	8.8
231.17409	9.3
233.15359	4.6
235.16902	16.6
237.18587	5.4
239.18089	3.1
243.17496	4.5
247.16991	6.6
249.18581	16.0
253.19556	3.1
256.26349	10.0
261.18518	10.1
275.20172	5.1
289.21594	3.0
325.25336	3.7
343.26416	5.2
355.26251	4.6
379.30234	4.1
389.32083	2.7
397.31039	12.0
407.33286	12.3
417.31500	8.8
425.33939	13.7
435.32526	30.2
453.33832	12.2
467.35043	8.4
485.36606	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.2
53.03947	4.1
53.88985	1.3
55.01871	2.9
55.05508	18.3
55.37677	1.3
57.03442	1.5
57.07073	5.6
65.03934	2.9
66.26360	1.3
67.05505	39.1
69.03433	1.4
69.07066	20.3
71.04994	5.9
71.08627	1.3
71.30464	1.5
73.06543	1.4
77.03923	1.7
79.05493	33.6
80.66161	1.1
81.03452	1.1
81.07056	59.9
83.04984	5.9
83.08618	10.0
85.06541	4.3
87.04472	1.5
88.07645	1.3
89.06029	1.5
91.05071	0.8
91.05482	28.4
93.07047	76.1
94.07401	2.1
95.04975	12.5
95.08607	100.0
96.08933	3.3
97.06533	7.8
97.10172	4.5
99.04444	1.4
99.08091	2.9
101.06011	1.6
105.04496	1.3
105.07028	48.6
106.07316	1.7
107.04934	1.3
107.08594	75.7
108.08939	2.9
109.06525	6.7
109.10160	48.3
109.10918	2.4
110.10490	1.4
111.08066	6.4
113.06014	2.8
117.07030	7.0
119.08578	66.4
120.08847	2.2
121.06483	9.8
121.10140	73.6
122.10461	3.2
123.08067	16.4
123.11713	19.0
125.09590	6.3
127.07549	7.0
128.06242	1.9
129.06982	2.9
129.47971	1.6
131.08569	20.0
133.06491	3.0
133.10130	50.4
134.10452	1.8
135.08046	14.9
135.10661	2.1
135.11684	33.7
135.12674	2.1
137.09636	5.1
137.13254	4.5
139.07520	2.3
139.11194	2.8
141.09145	2.9
142.07806	2.5
143.08565	7.8
144.09315	2.6
145.06506	1.6
145.10120	34.3
147.08037	8.4
147.11682	35.2
149.09621	10.8
149.13257	13.4
151.07587	1.3
151.11176	2.3
151.14973	1.4
153.09096	10.9
155.08586	1.7
155.10658	5.5
156.09352	1.7
157.10124	14.0
158.10826	1.8
159.08052	2.9
159.11691	30.2
160.12196	1.3
161.09625	13.3
161.13261	37.3
163.11198	12.1
163.14821	5.1
165.09074	2.7
165.12781	1.6
167.10677	7.7
169.10136	4.9
171.11694	11.6
172.08800	1.5
172.12492	1.5
173.09625	5.6
173.11876	2.7
173.13258	29.0
174.13692	1.6
175.11217	15.2
175.14824	20.3
176.15280	1.8
177.12761	3.6
177.16446	4.0
179.10707	3.3
181.12218	14.9
183.11711	3.5
185.13281	8.4
186.13940	1.4
187.11215	5.0
187.14830	20.4
189.12756	6.0
189.16409	15.9
191.14374	4.4
193.12238	4.0
193.15936	2.6
195.11905	2.0
195.13843	6.4
197.13257	4.4
199.14822	7.7
201.12689	7.0
201.16380	15.2
203.14339	7.4
203.17950	5.2
205.15912	4.8
207.13821	3.7
209.13419	2.8
209.15366	7.0
211.14853	3.6
213.12758	2.2
213.16348	5.0
215.14296	8.1
215.17957	4.7
217.15865	9.2
219.13863	2.9
219.17404	2.9
221.15407	4.6
223.16940	4.3
225.16443	3.5
227.18051	1.9
229.15930	9.9
229.19376	2.8
231.13852	2.1
231.17464	5.7
233.15291	3.8
235.16905	15.1
237.18451	4.0
239.18221	1.5
241.15919	2.1
241.19563	1.6
243.17508	3.4
243.40909	1.3
245.19121	1.9
247.16920	5.7
249.18501	15.9
253.19601	1.6
257.19003	2.5
261.18558	8.4
273.18488	1.5
275.20026	2.0
279.21017	1.3
287.19836	1.5
299.19958	1.8
311.23486	1.7
315.23114	1.7
329.24643	1.8
337.25076	1.5
343.25995	2.3
360.88351	1.3
397.31052	6.9
398.31378	2.0
407.33359	5.9
417.31592	4.4
421.30881	4.3
425.34299	6.6
435.32523	13.3
436.32840	1.8
449.29892	3.1
453.33649	5.7
467.35159	4.6
485.36435	21.8
485.47147	2.8
486.36481	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.2
53.03947	4.1
53.88985	1.3
55.01871	2.9
55.05508	18.3
55.37677	1.3
57.03442	1.5
57.07073	5.6
65.03934	2.9
66.26360	1.3
67.05505	39.1
69.03433	1.4
69.07066	20.3
71.04994	5.9
71.08627	1.3
71.30464	1.5
73.06543	1.4
77.03923	1.7
79.05493	33.6
80.66161	1.1
81.03452	1.1
81.07056	59.9
83.04984	5.9
83.08618	10.0
85.06541	4.3
87.04472	1.5
88.07645	1.3
89.06029	1.5
91.05071	0.8
91.05482	28.4
93.07047	76.1
94.07401	2.1
95.04975	12.5
95.08607	100.0
96.08933	3.3
97.06533	7.8
97.10172	4.5
99.04444	1.4
99.08091	2.9
101.06011	1.6
105.04496	1.3
105.07028	48.6
106.07316	1.7
107.04934	1.3
107.08594	75.7
108.08939	2.9
109.06525	6.7
109.10160	48.3
109.10918	2.4
110.10490	1.4
111.08066	6.4
113.06014	2.8
117.07030	7.0
119.08578	66.4
120.08847	2.2
121.06483	9.8
121.10140	73.6
122.10461	3.2
123.08067	16.4
123.11713	19.0
125.09590	6.3
127.07549	7.0
128.06242	1.9
129.06982	2.9
129.47971	1.6
131.08569	20.0
133.06491	3.0
133.10130	50.4
134.10452	1.8
135.08046	14.9
135.10661	2.1
135.11684	33.7
135.12674	2.1
137.09636	5.1
137.13254	4.5
139.07520	2.3
139.11194	2.8
141.09145	2.9
142.07806	2.5
143.08565	7.8
144.09315	2.6
145.06506	1.6
145.10120	34.3
147.08037	8.4
147.11682	35.2
149.09621	10.8
149.13257	13.4
151.07587	1.3
151.11176	2.3
151.14973	1.4
153.09096	10.9
155.08586	1.7
155.10658	5.5
156.09352	1.7
157.10124	14.0
158.10826	1.8
159.08052	2.9
159.11691	30.2
160.12196	1.3
161.09625	13.3
161.13261	37.3
163.11198	12.1
163.14821	5.1
165.09074	2.7
165.12781	1.6
167.10677	7.7
169.10136	4.9
171.11694	11.6
172.08800	1.5
172.12492	1.5
173.09625	5.6
173.11876	2.7
173.13258	29.0
174.13692	1.6
175.11217	15.2
175.14824	20.3
176.15280	1.8
177.12761	3.6
177.16446	4.0
179.10707	3.3
181.12218	14.9
183.11711	3.5
185.13281	8.4
186.13940	1.4
187.11215	5.0
187.14830	20.4
189.12756	6.0
189.16409	15.9
191.14374	4.4
193.12238	4.0
193.15936	2.6
195.11905	2.0
195.13843	6.4
197.13257	4.4
199.14822	7.7
201.12689	7.0
201.16380	15.2
203.14339	7.4
203.17950	5.2
205.15912	4.8
207.13821	3.7
209.13419	2.8
209.15366	7.0
211.14853	3.6
213.12758	2.2
213.16348	5.0
215.14296	8.1
215.17957	4.7
217.15865	9.2
219.13863	2.9
219.17404	2.9
221.15407	4.6
223.16940	4.3
225.16443	3.5
227.18051	1.9
229.15930	9.9
229.19376	2.8
231.13852	2.1
231.17464	5.7
233.15291	3.8
235.16905	15.1
237.18451	4.0
239.18221	1.5
241.15919	2.1
241.19563	1.6
243.17508	3.4
243.40909	1.3
245.19121	1.9
247.16920	5.7
249.18501	15.9
253.19601	1.6
257.19003	2.5
261.18558	8.4
273.18488	1.5
275.20026	2.0
279.21017	1.3
287.19836	1.5
299.19958	1.8
311.23486	1.7
315.23114	1.7
329.24643	1.8
337.25076	1.5
343.25995	2.3
360.88351	1.3
397.31052	6.9
398.31378	2.0
407.33359	5.9
417.31592	4.4
421.30881	4.3
425.34299	6.6
435.32523	13.3
436.32840	1.8
449.29892	3.1
453.33649	5.7
467.35159	4.6
485.36435	21.8
485.47147	2.8
486.36481	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	5.1
65.03938	4.6
67.05497	6.4
69.03437	9.1
71.10051	4.9
73.95391	2.9
81.07061	5.5
83.04977	12.6
85.02895	6.0
86.09704	9.4
91.05476	4.2
93.03371	3.4
95.04981	11.4
97.02934	4.1
98.97633	6.5
99.00804	4.7
103.57722	3.0
104.10735	14.5
105.07032	3.2
107.04934	5.9
111.04458	20.6
115.05431	4.8
116.98657	3.9
123.04414	6.0
126.05537	3.6
127.77483	3.2
128.06201	4.1
129.05484	9.8
129.07025	4.4
131.04991	3.2
137.05936	6.8
137.78395	2.7
139.03912	8.3
143.08551	11.3
145.06535	8.1
147.04469	7.1
147.06512	6.2
149.05927	5.1
157.05013	3.9
157.06487	4.5
159.08008	3.8
160.05257	15.1
161.05978	37.9
163.07516	6.8
165.09097	4.9
167.08513	6.1
171.06685	3.3
171.08080	12.1
173.06006	12.6
173.09598	5.2
174.06700	3.8
175.03940	3.3
175.07545	22.5
176.04715	5.3
177.05429	5.4
181.05002	5.2
181.06473	3.2
183.08012	3.3
184.07378	13.3
187.07597	12.6
189.05600	3.4
189.09100	34.5
191.07024	100.0
191.10686	4.1
193.07132	10.2
193.08702	5.1
195.08040	9.2
197.05899	3.4
199.07558	13.5
200.04704	13.5
201.05443	8.9
201.09142	17.4
203.07188	6.0
203.10774	4.1
205.08601	7.4
207.10107	8.5
211.07555	5.0
213.09097	19.6
215.07001	8.0
217.06929	24.3
217.08733	8.1
229.08644	42.6
231.10136	16.6
235.09660	48.7
241.08574	8.0
247.09700	34.4
259.09671	27.5
265.11139	5.1
277.10696	47.8
283.12280	4.4
316.17639	3.1
325.13132	4.0
325.16595	4.8
427.16348	17.6
451.15991	18.9
469.17041	16.5
480.60406	3.1
487.15173	4.7
487.21848	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05254	2.3
57.03433	6.3
65.03941	3.2
67.05517	9.0
69.03420	9.4
69.07057	4.5
70.06596	4.0
70.88428	4.6
73.02901	2.8
79.05503	2.7
80.05022	12.3
82.06576	7.1
83.05008	13.8
83.72854	2.5
85.02919	6.1
86.09718	9.9
91.05479	5.5
95.04976	10.8
95.08652	4.8
97.02892	4.4
98.06054	4.4
104.10741	5.2
105.07048	3.3
107.08595	3.9
108.04521	3.1
109.10156	3.4
110.07192	4.1
111.04438	13.3
115.05508	4.2
117.07027	4.3
119.08569	3.7
123.04412	7.5
124.99979	6.1
126.05518	100.0
128.06186	3.7
129.05486	7.5
129.07039	4.1
135.08066	5.8
137.05997	4.2
137.09637	7.3
139.03900	6.7
141.07013	5.1
143.08562	8.0
145.05031	2.6
145.06485	12.0
147.04424	3.3
149.06001	6.1
153.07001	3.3
157.05034	6.2
157.06459	4.1
159.08101	2.8
160.05191	8.3
161.05966	31.2
163.07500	13.6
165.09142	7.6
167.08611	4.9
171.06668	5.5
171.08070	12.5
173.06033	3.5
173.09560	2.9
174.06824	4.1
175.07550	18.6
176.04773	4.8
177.05510	5.1
177.09094	2.8
181.06595	4.3
184.07364	31.6
187.07602	7.2
189.09093	38.2
191.07036	90.3
193.08629	14.0
193.15938	3.1
195.07976	6.4
199.05881	2.9
199.07570	14.6
200.04727	4.0
201.05423	3.6
201.09163	5.2
203.07127	3.3
205.08646	5.8
207.10179	5.8
213.09125	9.9
215.07069	6.9
217.06888	34.1
217.09081	15.0
229.08638	11.0
231.10214	9.7
235.09669	66.0
236.09940	3.7
241.08803	3.3
247.09660	9.5
259.09595	17.6
277.10730	46.9
324.18036	11.4
325.16168	10.4
371.38281	3.0
451.15863	18.9
469.16962	13.5
487.21774	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64043	3.5
53.03959	3.4
64.45650	3.5
67.05500	5.8
69.03433	12.5
70.82639	6.1
77.44349	3.7
79.05510	3.7
83.04991	15.2
85.02896	6.1
91.05529	3.4
95.04968	11.5
97.06541	10.4
107.08561	3.6
111.04456	17.1
123.04398	6.3
128.07106	3.7
129.05495	16.1
129.06999	5.1
131.04900	5.6
135.04384	4.8
137.05988	4.1
139.03923	9.8
141.07007	4.0
143.08524	6.7
145.06490	8.9
147.06493	3.7
152.06161	3.3
157.04988	5.0
160.05197	6.7
161.05966	33.0
163.03882	6.6
163.07550	6.6
167.08583	7.6
171.08009	5.8
173.06009	6.7
175.07533	19.1
176.04669	5.6
181.05040	4.1
183.08124	4.2
185.05911	4.3
185.09660	6.3
187.07608	10.4
189.05386	4.5
189.09109	29.6
191.07034	53.7
193.07016	5.2
193.08592	5.7
195.08073	8.7
199.07541	8.3
200.04723	12.6
201.05530	9.1
201.09180	11.3
203.07072	3.7
205.08673	5.4
207.10272	7.0
213.09073	18.1
215.06946	6.0
217.06969	24.5
217.08583	6.7
229.08629	31.2
231.10100	9.5
235.09651	44.9
235.57565	4.1
241.08719	10.2
247.09622	44.2
259.09641	29.0
277.10721	12.8
284.54568	3.7
324.18146	4.4
325.16183	13.7
335.09457	34.9
373.59207	3.5
375.91296	3.9
409.14719	3.4
451.15811	19.7
454.10480	4.9
469.17041	5.2
486.20154	16.0
487.21591	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56162	1.0
53.03938	1.5
55.01881	1.2
55.05503	9.4
57.03446	3.0
57.07063	1.9
57.76089	0.9
61.02923	2.3
65.03938	2.2
66.93319	1.2
67.05504	44.1
69.03417	8.3
69.07069	3.8
70.06575	1.6
71.04983	5.3
71.28992	1.7
73.02921	2.2
79.05504	1.6
81.03413	2.4
81.07058	10.8
83.04947	2.1
83.08622	13.8
85.02901	33.0
86.09715	2.1
91.03948	1.8
91.05486	1.4
95.04986	1.4
95.08624	2.2
97.02898	9.8
98.97584	1.3
99.04419	1.7
105.07039	2.4
107.08602	2.7
109.02882	2.6
109.10153	100.0
110.10502	3.7
111.04460	2.2
123.04427	1.3
127.03925	8.1
127.11187	48.8
128.11501	1.2
133.04979	1.1
139.03937	1.0
145.04956	14.8
149.34966	1.0
157.12180	1.6
159.08015	1.2
161.05975	2.7
163.06021	7.6
163.07301	1.7
171.08005	1.3
173.09827	1.0
187.07614	2.1
189.09117	2.5
191.07047	5.1
205.08623	2.7
213.09045	1.8
215.07076	3.1
217.06989	2.4
229.08640	1.1
235.09647	4.4
259.09650	2.9
277.10678	4.8
279.96136	1.3
304.49811	1.0
325.16422	1.2
451.15817	1.4
469.16980	1.9
479.06131	1.1
486.20645	1.9
487.17834	3.4
487.22220	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36772	4.1
55.05508	21.4
57.02605	4.2
67.05506	44.1
69.07072	27.1
69.27135	25.3
69.27548	8.8
71.08665	4.6
77.74772	4.8
78.87543	4.0
79.05486	25.4
79.67187	4.0
80.47716	3.9
81.07057	38.0
83.04986	11.1
83.08627	13.8
84.09020	5.0
91.05500	18.5
93.07051	59.1
95.04944	6.1
95.08617	100.0
96.08942	5.3
97.06556	10.5
99.04451	6.2
101.06094	4.7
105.07037	39.7
107.08597	51.9
109.06498	7.2
109.10149	52.3
111.04471	5.8
111.08088	14.4
117.07074	6.6
119.08583	49.8
121.10168	45.0
123.08090	8.3
123.11711	12.4
131.08569	19.1
133.10107	39.5
135.08096	8.0
135.11694	25.6
139.07538	4.6
141.09056	6.9
143.08528	21.9
145.10129	41.4
147.11682	27.1
149.09602	7.9
149.13234	8.0
153.09120	7.3
155.08543	9.0
157.10127	29.9
159.11702	41.3
161.09587	22.3
161.13249	24.1
163.11200	6.8
171.11725	20.3
173.09706	12.5
173.13281	26.8
175.11165	12.9
175.14838	8.4
179.10707	5.6
181.12268	5.4
183.11655	7.5
185.13268	21.7
187.13252	4.4
187.14767	22.2
189.12770	9.8
189.16650	5.5
195.11751	5.7
197.13289	6.6
199.14848	17.0
201.12804	11.9
201.16444	7.5
203.14322	5.5
211.14864	9.7
213.16475	10.9
215.14301	8.4
215.18022	6.5
217.15799	4.9
219.13904	9.2
219.17482	9.9
221.15315	9.0
223.16928	6.6
224.15182	5.4
225.12749	6.2
225.16451	5.0
227.14391	8.8
227.17900	9.6
229.16005	8.4
230.75598	4.8
233.15387	13.1
235.16943	10.1
241.19585	5.0
245.15417	6.1
247.16977	7.6
249.18588	8.0
273.18640	4.9
306.41711	4.8
311.23682	7.3
316.67365	5.1
409.31107	26.7
415.29849	4.9
433.31027	42.2
451.32007	61.9
452.32681	7.9
469.33246	26.4
486.26883	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	27.9
56.04193	3.8
57.07074	4.4
57.41520	3.7
67.05502	30.4
69.07063	12.8
70.57905	6.5
70.58232	6.6
71.04981	6.6
76.48356	3.9
78.81078	4.3
79.05494	28.9
81.07055	54.0
83.04978	22.6
83.08595	5.8
89.80029	3.4
91.05486	28.4
93.07041	65.9
95.04958	9.2
95.08609	100.0
97.06526	11.9
105.07027	46.1
107.08595	69.3
109.06548	4.7
109.10149	41.3
111.04451	5.9
111.08070	10.3
116.57828	3.9
117.07042	11.7
119.08575	58.5
121.06513	5.2
121.10133	60.4
123.08070	11.7
123.11720	9.8
128.06335	3.8
129.07031	9.2
131.08568	25.3
133.06471	7.0
133.10123	46.6
134.10532	3.9
135.08107	12.1
135.11702	27.5
137.09602	7.8
137.13264	4.3
139.07542	6.3
142.07813	5.6
143.08562	17.0
145.10110	41.9
147.08031	8.8
147.11674	33.6
149.09644	5.8
149.13232	12.2
153.09171	7.0
155.08505	7.2
157.10161	13.6
159.08061	10.8
159.11688	43.8
160.12473	4.7
161.09567	19.7
161.13278	16.7
163.11224	7.2
163.14822	7.3
169.10158	5.9
171.11685	21.3
173.09691	12.7
173.13231	24.0
175.11171	14.7
175.14824	15.2
177.09052	5.1
179.10657	8.3
181.12280	14.3
183.11745	5.6
185.09647	6.1
185.13266	24.4
187.11143	8.1
187.14825	22.0
189.12688	7.8
189.16322	6.1
191.14403	6.5
193.12308	6.1
195.13924	6.5
197.13232	8.6
199.14876	8.3
201.12781	17.7
201.16351	9.6
203.14314	10.1
209.15271	8.9
211.14792	5.5
213.12813	10.6
213.16452	11.3
215.14363	11.1
215.17992	6.1
217.15941	15.0
219.13808	11.4
221.15392	10.0
223.16862	5.0
225.16206	4.6
229.15877	10.3
231.17522	11.3
233.15379	13.2
235.16991	12.7
243.17545	6.2
245.15367	6.0
247.16917	11.5
249.18498	20.5
254.09145	5.3
273.18668	6.4
293.22559	9.3
300.87234	4.6
311.23685	13.0
313.21866	5.6
329.24591	8.8
341.09344	5.6
346.13788	7.0
355.61133	4.3
382.26517	4.6
415.29849	8.7
423.32584	10.9
433.30981	65.9
451.32034	77.2
452.32596	8.7
469.33011	25.3
486.26883	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.3
57.07089	2.6
67.05495	6.2
68.97958	1.7
69.07079	3.0
69.41101	7.7
69.41513	3.7
79.05493	6.2
81.07066	9.7
83.04982	3.9
84.12952	1.9
87.04465	18.9
91.05484	28.1
92.05830	5.7
93.07061	9.3
95.08608	18.3
104.56113	2.1
105.07063	11.2
105.26708	1.6
107.08578	11.1
109.06590	2.1
109.10148	10.3
111.04430	2.3
111.08099	2.0
117.07051	2.2
119.08572	12.5
121.06454	2.0
121.10149	14.0
123.11707	3.7
131.08582	5.5
133.10126	46.9
134.10463	18.7
135.11707	4.2
141.09099	1.7
143.08603	2.8
145.10121	7.9
147.08058	4.1
147.11705	6.6
149.13277	2.9
150.65773	1.7
157.10185	4.0
159.11725	6.5
161.09612	3.2
161.13235	4.6
163.14874	2.1
171.11703	2.1
173.09523	2.6
173.13297	5.5
175.11206	4.0
175.14803	3.1
181.12315	2.3
185.13179	1.8
187.14792	3.4
191.17831	1.8
199.14771	3.0
201.12653	2.4
201.16422	2.2
215.14386	2.3
217.15895	3.0
219.17474	1.8
231.17523	3.4
233.15422	2.8
235.17014	3.7
329.24927	2.4
415.29724	2.8
423.32513	2.3
433.31149	9.6
440.91858	2.0
443.29132	5.8
451.32135	8.6
469.33136	4.0
487.28174	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
54.27720	0.5
55.05510	78.9
56.05844	15.5
56.06119	1.0
56.78036	0.4
59.05001	0.4
67.05505	2.2
69.07069	1.5
69.15987	4.1
69.16321	0.8
79.05498	1.4
81.07062	3.0
83.04979	100.0
83.08613	1.3
84.05310	22.9
87.70612	0.6
91.05494	1.3
93.07053	4.2
95.08598	7.5
96.08960	0.5
97.06539	0.7
98.22585	0.7
105.07010	3.1
107.08593	5.2
109.10161	3.5
111.04431	0.6
111.08096	1.0
117.07040	0.5
119.08576	3.4
120.08926	0.7
121.06510	0.8
121.10132	2.7
122.87563	0.6
123.08058	0.7
123.11705	0.9
131.08559	1.5
133.10118	3.5
135.08031	0.8
135.11674	1.7
137.09592	0.6
137.13289	0.6
139.07452	0.7
143.08595	1.1
145.10081	2.8
147.11697	2.2
149.13249	0.8
153.09088	0.6
157.10155	1.6
159.08119	0.6
159.11690	3.1
160.12033	0.6
161.09634	1.7
161.13269	1.0
171.11670	1.6
173.09558	0.9
173.13257	2.4
175.11198	1.2
175.14864	1.0
179.10602	0.5
183.11588	0.5
185.13284	1.4
187.11137	0.6
187.14801	2.4
189.12743	0.7
195.11844	0.5
197.13289	0.8
199.14891	1.5
201.12808	0.9
201.16463	1.1
203.14214	0.5
205.15904	0.6
211.14847	0.7
213.12688	0.7
213.16302	0.6
215.14409	0.6
215.17940	0.8
217.15855	0.7
219.13925	0.7
219.17432	0.6
221.15407	0.8
223.16861	0.9
227.17952	0.8
229.15717	0.7
231.13893	0.5
231.17430	0.8
233.15425	1.1
235.16756	1.1
241.24567	0.6
245.15379	0.6
247.16965	0.9
249.18643	0.8
251.17769	0.6
253.19572	0.6
275.19635	0.5
293.22699	0.8
311.23560	0.8
327.23163	0.8
329.24765	0.7
341.24805	0.6
368.19394	0.7
404.21487	2.6
409.30927	1.6
415.30212	0.7
418.16983	0.5
431.73245	0.5
433.30948	4.5
442.27878	3.0
451.32028	6.9
469.33414	2.3
486.26932	54.0
487.27328	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	35.1
63.19929	9.5
67.05502	43.0
69.07072	31.2
69.58912	42.5
79.05485	29.2
81.07061	57.3
81.98137	12.1
83.04977	21.9
83.08611	18.0
84.05338	9.0
85.06551	11.7
91.05479	36.9
93.07037	81.4
94.07397	13.4
95.08595	100.0
96.08953	10.9
98.22712	19.5
105.07034	45.8
107.08601	57.2
109.06560	20.2
109.10162	46.0
111.08054	14.4
117.07037	15.9
119.08587	74.8
121.10152	66.7
122.10478	11.6
123.08096	14.4
123.11738	18.1
131.08582	47.5
133.10167	63.1
134.10368	9.6
135.11742	23.5
143.08542	16.6
145.09146	9.0
145.10107	62.5
146.10495	14.0
147.11696	31.0
155.08514	13.0
157.10132	41.4
159.11702	54.1
160.12016	12.8
161.09666	18.9
161.13283	25.0
167.10696	11.4
169.10149	28.6
171.11707	27.8
173.13257	23.7
175.11082	12.6
183.11688	15.4
185.13150	28.5
187.14784	24.3
189.12723	11.0
189.16324	10.7
195.11702	18.3
197.13306	20.0
207.11761	11.9
209.13263	30.1
213.16241	13.2
219.13670	11.1
227.18007	15.9
233.15350	10.9
251.17946	14.4
253.19518	18.7
256.26431	11.5
293.22684	37.4
413.83286	11.5
433.31097	86.7
451.32074	41.9
469.32916	27.2
486.32471	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38799	42.5
69.39220	89.0
81.07024	35.8
87.04475	100.0
91.05466	73.4
91.70535	16.8
92.93095	16.9
93.07043	46.4
95.08595	57.1
95.30431	19.2
98.22838	61.5
98.23394	20.8
105.07030	28.4
107.08579	28.1
109.10125	34.9
119.08495	18.0
121.10178	29.1
122.43307	17.8
123.70146	18.8
133.10120	53.5
134.10457	44.2
147.11494	26.9
188.93201	22.3
227.17796	23.2
287.96494	22.3
328.78339	22.4
433.31113	21.7
451.31763	52.6
469.33282	35.0
486.32947	56.0
487.27826	75.5
487.34024	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	8.6
55.05504	11.6
55.27369	7.6
59.02596	8.1
61.38846	8.6
62.74541	9.0
63.15129	8.1
67.05497	38.8
69.07053	21.5
69.15659	58.1
79.05480	21.3
81.07059	100.0
83.04962	12.7
83.08619	20.9
86.93862	10.2
87.04455	60.9
91.05469	30.7
93.07035	59.1
95.08610	84.4
98.22994	42.8
105.07024	33.4
107.08612	75.5
107.40234	9.3
109.10134	57.7
113.08006	9.4
119.08576	38.3
121.10138	61.1
123.11707	52.9
131.08533	13.6
132.87483	9.3
133.10158	30.0
135.11729	49.3
137.13225	18.0
145.10081	19.6
147.11668	24.6
149.13289	38.0
151.53223	12.2
159.11653	19.9
161.13330	19.4
163.14758	17.2
173.13257	10.6
175.14830	28.7
177.16339	16.7
189.16414	11.2
191.14259	12.9
191.17958	22.8
215.17961	10.0
221.04256	32.0
423.36179	17.5
435.80988	10.2
453.30234	10.7
458.33301	9.7
486.36224	35.8
486.47546	17.9
487.34061	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0845
Annotation	Tjipanazole E
Peak:m/z	Relative Intensity
61.91020	0.3
69.03439	0.5
69.06332	3.3
87.22387	0.3
91.05541	0.3
97.10170	0.3
101.68632	0.3
136.07573	1.8
137.05972	0.4
185.04207	17.8
185.25871	0.3
324.02414	6.8
325.03152	9.9
335.09720	0.6
339.52969	0.4
361.04175	0.7
435.32224	0.3
467.39709	0.4
487.08481	100.0
487.20905	15.0
488.08820	7.5
488.21808	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	2.9
54.73555	2.8
55.05503	9.5
56.96560	7.6
67.05513	14.0
69.03413	11.7
69.07059	7.2
69.09227	15.4
69.09644	9.6
71.04976	5.2
79.05471	9.4
81.03412	3.7
81.07058	19.1
83.04966	10.8
85.02884	10.1
85.06541	3.1
91.05471	11.9
93.07059	13.3
94.23309	2.7
95.04964	9.6
95.08620	17.4
97.02895	6.0
97.06563	18.8
98.97574	24.1
99.04429	9.1
103.03931	9.8
105.07028	13.2
107.08579	8.0
109.06503	9.1
109.10133	11.3
111.04414	7.3
116.98595	10.2
117.06992	6.0
119.08574	10.7
121.06508	2.8
121.10137	8.8
122.53307	2.7
123.04415	3.9
123.08035	4.7
125.05951	2.9
127.03951	18.5
129.06984	4.2
131.04955	4.6
131.08539	7.9
133.06531	4.1
133.10118	7.4
135.08014	5.1
137.05956	11.5
137.09612	5.5
139.03915	3.5
139.07494	3.6
143.00134	5.4
143.08556	6.7
145.04933	6.0
145.06424	3.9
145.10123	9.0
147.08101	2.9
147.11694	7.5
149.09598	3.7
151.07532	6.0
155.08574	4.7
157.10110	10.1
157.38222	2.5
158.99617	4.5
159.08003	3.4
159.11700	34.0
161.01129	6.2
161.09575	4.3
163.07600	2.6
165.09113	12.7
169.10136	4.3
173.09572	5.4
177.00722	4.6
177.09117	4.8
179.08551	4.2
181.08554	2.9
181.10060	3.6
185.09637	3.9
190.09711	2.7
191.10507	4.0
195.11646	4.1
197.13210	3.2
201.00644	6.5
201.09096	4.0
207.11798	3.5
219.01744	8.8
241.15614	3.2
247.11208	3.2
249.02745	11.4
267.03912	5.1
267.07892	7.2
281.07217	3.9
291.03781	8.9
359.47803	2.8
365.10046	4.7
367.13998	7.3
469.20956	3.7
469.29315	4.9
477.77087	3.1
485.41739	3.1
487.12552	4.9
487.19608	100.0
487.31006	11.9
488.20419	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01867	4.5
55.05518	4.6
57.07072	1.3
59.04987	2.2
65.03941	2.4
67.05510	11.7
68.99783	3.4
69.03423	5.5
69.07074	5.5
70.03640	3.0
71.01339	1.5
71.05003	1.2
75.83141	0.7
75.91705	0.8
77.03938	0.8
79.05495	15.7
81.03433	4.3
81.07057	13.7
83.04990	7.9
83.08651	0.8
85.02898	1.5
85.06547	2.4
87.00835	1.5
91.05477	25.4
93.07046	19.4
95.04973	21.1
95.08044	1.2
95.08611	18.4
97.02927	1.1
97.06531	19.0
99.04421	1.8
99.08092	0.8
103.05487	5.2
105.03416	1.4
105.07032	27.1
107.04951	8.8
107.08596	13.6
108.05727	2.6
109.06528	12.2
109.10142	4.3
111.04436	2.0
111.08098	2.1
113.05997	1.1
115.05455	6.7
116.06268	1.7
117.07024	20.4
119.04955	2.8
119.08585	17.9
120.05694	0.8
120.08988	0.8
121.02882	2.7
121.06514	22.1
121.10155	6.6
123.04450	4.3
123.08063	47.3
123.11674	0.9
125.05994	8.4
125.09667	0.9
128.06207	9.8
129.05513	1.1
129.07010	18.6
130.07780	2.7
131.04901	4.6
131.08569	23.5
133.06497	10.7
133.10123	13.9
134.07224	0.9
135.04416	5.5
135.08052	10.7
135.11673	1.5
137.02362	0.9
137.05984	4.6
137.09618	4.2
139.07507	2.5
141.06995	10.5
142.07768	11.4
143.04887	1.3
143.08563	24.8
144.05699	1.6
144.09283	2.5
145.06493	11.8
145.10110	16.8
146.07275	1.6
147.04390	4.4
147.08047	18.8
147.11655	3.1
149.05975	12.2
149.09627	8.5
151.03926	1.4
151.07532	15.9
151.11163	1.7
152.06268	1.2
152.08313	1.9
153.05606	1.6
153.06985	4.9
153.09071	1.2
154.07748	4.7
155.06027	1.2
155.08536	18.3
156.09344	4.7
157.06509	7.7
157.10132	21.2
158.07246	5.2
158.10794	1.3
159.03151	0.9
159.04431	2.1
159.08044	21.0
159.11691	18.0
160.08673	1.4
161.05960	7.2
161.09607	13.1
161.13286	1.3
162.06760	0.9
163.04033	0.9
163.07529	6.7
163.11230	1.9
165.05598	1.9
165.07011	6.3
165.09100	5.6
166.07724	4.8
167.07036	5.2
167.08560	9.0
168.09317	7.4
169.06496	2.8
169.10100	21.7
170.07265	2.5
170.10803	1.2
171.08054	18.1
171.11661	7.1
172.05266	1.2
172.08804	5.2
173.05962	5.3
173.09619	16.8
173.13239	2.7
174.06717	1.6
174.10318	3.2
175.07542	11.1
175.11150	8.5
176.08183	1.2
177.05461	16.9
177.09081	8.1
178.06256	0.9
178.07788	3.7
179.07028	5.9
179.08560	6.4
179.10548	1.3
180.09340	3.5
181.06497	2.6
181.08621	1.7
181.10107	13.0
182.07275	1.8
182.10785	1.3
183.08058	7.2
183.11690	13.3
184.08772	3.3
184.12218	1.9
185.05988	5.6
185.09610	26.8
185.13289	3.1
186.06693	1.5
186.10387	5.3
187.07559	10.0
187.11176	15.9
188.08340	0.9
188.11852	1.8
189.05493	2.2
189.09105	5.4
189.12703	1.7
190.07755	1.0
191.07002	3.2
191.08537	1.8
191.10661	2.3
192.09297	2.3
193.08673	1.6
193.10153	8.2
194.07315	0.8
194.10823	1.5
195.06506	2.4
195.08086	5.5
195.10031	1.0
195.11678	7.2
196.08784	1.9
197.05920	1.1
197.09584	9.0
197.13271	2.6
198.06761	2.1
198.10268	2.8
199.07516	7.5
199.11185	13.6
200.08215	1.3
200.11871	3.2
201.05519	1.5
201.09102	8.7
201.12753	21.8
202.07855	1.6
202.13512	7.7
203.07031	3.6
203.08730	1.8
203.10597	5.8
203.14200	1.2
204.09346	1.3
205.08537	2.0
205.10187	2.4
205.12129	1.2
206.10854	2.3
207.08090	2.7
207.11717	7.2
208.08809	2.5
208.12392	1.9
209.09683	7.7
209.13234	4.3
210.10361	2.7
211.07576	3.9
211.11159	9.9
212.08278	2.9
212.11833	1.9
213.09135	10.9
213.12642	4.4
214.09807	1.6
214.13560	1.0
215.06970	2.5
215.08746	1.2
215.10646	8.4
216.09404	1.7
217.08580	3.5
217.10152	3.1
217.12288	2.8
219.08289	1.2
219.09944	1.6
219.11739	3.1
220.08902	1.7
220.12436	1.5
221.09631	3.3
221.13376	3.9
222.10333	1.6
223.07512	1.9
223.11189	5.8
223.14885	1.5
224.08406	1.6
225.09122	5.0
225.12752	4.3
226.09894	1.7
227.07104	1.1
227.10640	14.2
227.14285	2.2
228.11424	8.9
229.08522	2.2
229.10269	1.7
229.12129	8.1
230.10887	1.7
231.09897	1.6
231.11719	3.2
232.12517	3.6
233.09669	2.0
233.13225	2.6
234.10384	1.5
234.13966	1.6
235.11246	4.2
235.14861	1.5
236.12074	1.8
237.09009	3.1
237.12744	5.0
237.16376	1.2
238.13278	1.3
239.10770	4.9
239.14224	1.6
241.08432	1.9
241.12231	3.4
243.09985	2.1
243.12030	1.2
245.09521	1.7
245.11487	6.3
246.10246	1.9
246.12291	4.7
247.11086	2.8
247.13342	3.2
248.12013	1.3
249.08972	1.4
249.12628	4.2
249.16432	1.1
250.13353	1.2
251.10605	3.8
251.14294	2.0
253.08551	3.9
253.12245	4.2
255.07899	1.2
255.10059	3.9
255.13875	2.0
257.08057	3.7
257.11670	1.3
258.14029	1.9
259.11365	1.8
259.14807	1.2
260.12131	1.9
261.09012	1.0
261.12701	4.5
261.16336	1.1
262.09900	1.0
262.13370	2.0
263.10590	2.1
263.14258	3.5
263.17932	1.5
264.15051	1.0
265.12231	2.6
265.15839	2.4
265.19409	0.9
267.07614	1.0
267.10132	1.3
267.13824	1.4
269.11826	1.6
270.10550	1.1
273.12915	1.7
273.16299	1.8
274.09726	1.0
274.13376	1.9
275.10602	1.4
275.14371	3.3
276.11444	1.4
277.12262	4.2
277.15787	2.3
279.10098	2.0
279.13818	2.2
279.17346	2.1
281.11725	3.5
281.15121	0.8
281.18927	1.0
285.12637	1.6
285.16104	1.5
287.14444	1.7
287.18079	1.0
288.11472	0.8
288.15079	1.0
289.12244	1.2
289.15765	4.2
289.18845	1.1
290.16479	1.2
291.13742	2.5
291.17410	3.6
293.12009	1.4
293.15320	5.0
295.13300	1.8
297.11407	1.3
299.12582	4.0
301.12170	1.5
301.15857	2.4
303.13745	2.3
303.17221	1.2
305.11752	1.6
305.15280	1.0
307.09723	1.6
307.13507	1.4
307.16986	2.7
307.20398	1.1
309.18250	4.0
311.16406	1.1
315.17429	1.7
317.15292	3.7
318.15985	1.4
319.13150	2.3
319.16934	5.5
321.11441	1.0
321.14896	3.8
322.15207	1.2
323.12894	1.1
325.10724	2.0
327.13541	0.9
331.13184	1.1
331.16888	2.8
333.18356	4.1
335.16422	9.0
335.19986	1.2
336.17078	2.0
337.14432	1.6
337.17944	7.6
341.15442	1.8
343.16812	2.3
345.14792	3.4
347.16339	2.7
349.17764	2.0
351.19516	9.0
353.10309	1.6
353.17267	3.4
353.21152	12.2
354.10812	0.9
355.19119	1.2
359.16489	6.0
361.14203	1.2
361.18024	7.6
363.15915	11.1
365.13812	2.0
365.17612	2.5
369.20789	1.3
371.11102	1.5
373.14359	1.6
377.17435	9.6
378.17935	1.2
379.19037	56.3
380.19547	5.9
381.17041	8.3
383.18604	3.3
387.15897	7.1
389.17392	2.7
391.15350	2.4
395.18561	10.7
397.20114	8.8
405.16922	37.1
406.17365	2.8
407.18643	12.4
409.16504	2.5
413.19632	1.7
415.15405	3.4
423.18005	36.9
424.18256	3.7
425.19586	33.2
426.19904	2.7
427.17554	1.9
433.16394	13.0
434.16614	1.3
441.19040	26.7
442.19247	2.0
451.17523	49.5
452.17767	4.3
459.20108	2.8
469.18475	36.4
470.18365	4.5
487.19595	100.0
488.19815	10.4
508.61661	0.9
513.75238	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	2.9
54.73555	2.8
55.05503	9.5
56.96560	7.6
67.05513	14.0
69.03413	11.7
69.07059	7.2
69.09227	15.4
69.09644	9.6
71.04976	5.2
79.05471	9.4
81.03412	3.7
81.07058	19.1
83.04966	10.8
85.02884	10.1
85.06541	3.1
91.05471	11.9
93.07059	13.3
94.23309	2.7
95.04964	9.6
95.08620	17.4
97.02895	6.0
97.06563	18.8
98.97574	24.1
99.04429	9.1
103.03931	9.8
105.07028	13.2
107.08579	8.0
109.06503	9.1
109.10133	11.3
111.04414	7.3
116.98595	10.2
117.06992	6.0
119.08574	10.7
121.06508	2.8
121.10137	8.8
122.53307	2.7
123.04415	3.9
123.08035	4.7
125.05951	2.9
127.03951	18.5
129.06984	4.2
131.04955	4.6
131.08539	7.9
133.06531	4.1
133.10118	7.4
135.08014	5.1
137.05956	11.5
137.09612	5.5
139.03915	3.5
139.07494	3.6
143.00134	5.4
143.08556	6.7
145.04933	6.0
145.06424	3.9
145.10123	9.0
147.08101	2.9
147.11694	7.5
149.09598	3.7
151.07532	6.0
155.08574	4.7
157.10110	10.1
157.38222	2.5
158.99617	4.5
159.08003	3.4
159.11700	34.0
161.01129	6.2
161.09575	4.3
163.07600	2.6
165.09113	12.7
169.10136	4.3
173.09572	5.4
177.00722	4.6
177.09117	4.8
179.08551	4.2
181.08554	2.9
181.10060	3.6
185.09637	3.9
190.09711	2.7
191.10507	4.0
195.11646	4.1
197.13210	3.2
201.00644	6.5
201.09096	4.0
207.11798	3.5
219.01744	8.8
241.15614	3.2
247.11208	3.2
249.02745	11.4
267.03912	5.1
267.07892	7.2
281.07217	3.9
291.03781	8.9
359.47803	2.8
365.10046	4.7
367.13998	7.3
469.20956	3.7
469.29315	4.9
477.77087	3.1
485.41739	3.1
487.12552	4.9
487.19608	100.0
487.31006	11.9
488.20419	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.215
Annotation	Unknow
Peak:m/z	Relative Intensity
68.90092	0.3
70.08688	1.1
74.55036	0.3
81.07056	0.4
137.06013	0.3
154.41791	0.4
196.68088	0.3
203.05263	0.8
275.07571	0.9
335.09454	9.0
336.09793	0.4
337.85754	0.4
355.17310	4.6
487.21509	100.0
488.21756	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2149
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
55.63829	0.2
69.82044	0.4
69.82439	0.7
77.61582	0.2
98.23306	0.3
244.63779	0.3
275.07416	0.7
306.33630	0.3
309.96060	0.3
317.08496	0.3
325.16290	0.3
335.09518	6.5
336.09912	0.3
355.17334	2.4
487.21494	100.0
488.21835	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	0.2
60.18619	0.2
67.05455	0.7
69.03365	0.3
70.76096	0.5
81.07005	0.4
91.05456	0.4
93.07033	1.3
95.08553	1.1
100.13126	0.3
107.08603	2.0
109.10144	1.6
135.07993	0.4
135.11710	1.3
147.04292	0.3
153.12704	0.8
155.03134	0.3
155.62047	0.2
162.68724	0.3
191.06935	0.7
192.07263	0.6
203.05264	1.2
236.09924	0.3
237.90363	0.2
256.52347	0.2
265.10922	0.3
275.07397	1.7
278.10858	0.5
325.16153	0.5
334.54095	0.3
335.09470	34.3
336.09814	1.1
452.16013	0.3
470.16956	0.3
487.21500	100.0
488.21848	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.05507	0.7
66.88482	0.3
67.05495	1.2
69.03426	0.5
69.07064	0.9
71.04990	0.3
71.29105	0.4
79.05486	1.0
81.07063	2.2
83.04981	0.5
85.02917	0.4
91.05471	0.9
91.34668	0.3
93.07032	1.5
95.04965	0.8
95.08614	2.2
97.02854	0.4
97.06522	0.6
97.10142	0.3
99.04444	0.3
99.08100	0.3
105.07039	0.9
107.04952	0.5
107.08590	1.1
109.06532	0.8
109.10172	1.9
109.26331	0.3
111.04414	0.3
111.08057	0.4
119.08593	1.5
119.09333	0.3
121.06484	0.4
121.10152	0.8
123.08028	0.4
123.11715	0.8
125.05955	0.3
127.03934	1.5
131.08603	0.5
133.10152	0.8
133.82747	0.3
135.08029	0.3
135.11751	0.4
137.05991	0.6
137.09613	2.0
145.05060	0.4
145.10121	0.6
147.08080	0.5
147.11685	0.4
149.02110	0.7
149.09610	0.7
149.13293	0.5
151.07579	0.5
159.08101	0.4
159.11725	0.8
163.07472	0.4
165.09114	14.6
171.11688	0.3
173.09669	0.4
175.14738	0.4
177.09132	0.9
191.10655	0.5
192.24084	0.3
203.10713	0.5
205.12277	1.1
233.06563	0.3
239.56735	0.3
254.74097	0.3
260.10040	0.4
281.38882	0.3
317.08337	0.3
323.22070	0.5
333.07913	0.8
335.09384	0.8
355.17276	5.8
356.17935	0.6
358.98660	0.4
361.08957	1.0
368.37912	0.3
457.20178	0.3
487.12665	5.1
487.21481	100.0
488.12753	1.0
488.21863	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.05507	0.7
66.88482	0.3
67.05495	1.2
69.03426	0.5
69.07064	0.9
71.04990	0.3
71.29105	0.4
79.05486	1.0
81.07063	2.2
83.04981	0.5
85.02917	0.4
91.05471	0.9
91.34668	0.3
93.07032	1.5
95.04965	0.8
95.08614	2.2
97.02854	0.4
97.06522	0.6
97.10142	0.3
99.04444	0.3
99.08100	0.3
105.07039	0.9
107.04952	0.5
107.08590	1.1
109.06532	0.8
109.10172	1.9
109.26331	0.3
111.04414	0.3
111.08057	0.4
119.08593	1.5
119.09333	0.3
121.06484	0.4
121.10152	0.8
123.08028	0.4
123.11715	0.8
125.05955	0.3
127.03934	1.5
131.08603	0.5
133.10152	0.8
133.82747	0.3
135.08029	0.3
135.11751	0.4
137.05991	0.6
137.09613	2.0
145.05060	0.4
145.10121	0.6
147.08080	0.5
147.11685	0.4
149.02110	0.7
149.09610	0.7
149.13293	0.5
151.07579	0.5
159.08101	0.4
159.11725	0.8
163.07472	0.4
165.09114	14.6
171.11688	0.3
173.09669	0.4
175.14738	0.4
177.09132	0.9
191.10655	0.5
192.24084	0.3
203.10713	0.5
205.12277	1.1
233.06563	0.3
239.56735	0.3
254.74097	0.3
260.10040	0.4
281.38882	0.3
317.08337	0.3
323.22070	0.5
333.07913	0.8
335.09384	0.8
355.17276	5.8
356.17935	0.6
358.98660	0.4
361.08957	1.0
368.37912	0.3
457.20178	0.3
487.12665	5.1
487.21481	100.0
488.12753	1.0
488.21863	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	47.5
56.61062	24.0
67.05512	32.0
68.94438	22.7
71.31541	44.6
71.47363	22.7
72.00717	22.2
73.40859	23.1
81.07052	43.3
83.04967	65.1
86.01243	22.2
95.08587	61.2
103.11892	23.5
105.07007	39.8
107.08581	40.4
117.07105	28.1
119.08594	33.3
133.10048	23.3
145.10141	30.3
157.10205	32.4
167.05704	25.4
167.07146	28.4
174.94987	22.7
314.07736	27.5
355.15353	100.0
421.27234	40.2
424.60312	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33475	24.7
55.05513	66.5
62.93006	24.4
63.78218	26.3
70.25294	100.0
81.07048	32.6
83.05000	78.0
90.16189	32.5
93.07068	49.8
95.08630	49.1
102.00531	29.5
105.03386	30.5
105.07037	55.0
109.10119	53.4
121.10184	34.2
121.73503	28.9
145.10127	32.6
159.11688	50.5
209.92432	38.1
249.23621	29.9
260.47684	27.3
270.21371	32.8
387.13016	32.8
469.26218	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	100.0
58.27647	26.3
66.87036	29.0
67.05499	39.3
70.19152	40.0
70.19489	60.3
76.84328	27.1
81.07069	79.0
83.05014	83.4
93.07040	60.7
95.08605	71.1
97.81764	31.3
105.03363	37.9
109.06536	36.6
119.08574	50.3
135.62146	25.3
137.05965	30.7
141.30376	27.2
157.10135	27.4
165.09225	34.5
203.10774	31.2
216.82065	26.2
217.23030	30.8
230.24742	27.0
288.47397	30.2
300.10464	33.0
341.13684	27.2
355.15500	85.4
421.27634	43.4
451.28494	42.0
477.04276	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	100.0
71.31921	19.4
79.05485	34.6
81.07049	45.1
82.39485	17.5
83.04984	72.0
91.05495	36.1
93.07024	37.6
95.08612	40.8
105.07010	22.1
119.08567	26.1
133.10217	19.2
137.09534	18.7
147.11703	32.7
177.05470	22.9
194.38138	16.6
207.11766	22.3
207.13625	23.5
219.10165	39.5
281.11188	20.9
309.39224	23.5
355.15439	87.5
387.17941	44.1
469.22440	34.4
469.29288	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85899	12.5
52.95137	11.9
55.05495	18.4
61.11527	12.8
69.03428	100.0
69.36423	83.5
79.05495	18.1
81.07036	30.2
83.39527	11.9
91.05502	24.9
93.07040	37.2
94.39983	13.3
95.08611	59.3
98.18187	10.9
98.23395	13.3
105.07053	36.0
107.08585	46.2
109.10154	27.6
119.08571	32.8
121.10204	34.0
135.11707	20.8
145.10146	17.6
145.72070	16.1
147.11670	15.9
161.13264	25.1
224.69322	16.1
229.15826	12.8
264.07861	16.3
291.37384	12.6
295.09744	11.7
295.13068	16.2
299.09412	13.2
305.08109	16.2
307.09592	20.4
309.14551	14.3
323.09146	28.3
325.14362	16.7
335.09155	15.4
337.10733	27.8
337.14496	25.5
349.10535	39.8
351.12378	21.1
353.13852	20.0
365.10223	29.7
366.10815	14.0
369.17117	43.6
370.17752	22.7
380.12448	51.8
381.13147	37.4
391.14990	15.1
395.14819	48.3
397.12674	38.4
400.15128	38.9
413.15805	38.6
422.16586	14.4
423.17831	17.4
437.19595	44.0
469.22006	27.3
469.33072	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66516	1.4
55.01868	5.5
55.05505	17.4
57.03440	14.5
57.07080	1.6
57.75289	1.3
59.04993	4.9
61.02928	3.7
61.14818	1.3
65.03927	2.2
67.05505	25.5
69.03422	20.6
69.07070	12.5
70.06594	2.1
70.15489	3.0
70.15872	2.9
71.01364	4.3
71.04998	4.0
73.02920	11.9
75.55486	1.7
79.05492	9.2
81.03411	8.1
81.07055	26.0
83.04978	66.3
83.08624	2.7
85.02901	31.8
87.04495	1.8
91.05466	6.3
93.07030	12.0
94.01307	1.5
95.04961	22.1
95.07988	1.9
95.08595	27.1
97.02893	21.1
97.06539	5.3
97.10180	2.4
99.04449	7.0
103.03918	2.0
105.07038	6.8
106.60163	1.4
107.08587	18.3
109.02934	3.6
109.06516	10.2
109.07134	1.5
109.09447	3.0
109.10152	41.8
109.10917	2.1
111.04439	3.6
111.08086	5.5
112.97996	1.6
115.03905	8.7
115.05536	1.6
117.06991	1.9
119.08582	10.2
121.06476	2.9
121.10106	7.4
123.04433	2.1
123.08067	4.8
123.11712	4.2
123.18150	1.4
125.09646	3.7
126.05501	2.6
127.03893	8.5
129.12726	2.4
131.08551	2.6
133.04950	11.7
133.10135	8.2
135.08037	12.3
135.11678	11.4
137.06035	2.5
137.09608	100.0
138.09869	2.1
145.04974	7.5
145.10127	2.2
147.08008	1.9
147.11653	2.6
149.09636	2.2
151.11234	1.9
153.09108	5.1
155.10649	3.0
157.04881	1.9
161.09612	1.8
163.07468	2.9
163.11134	1.5
171.06459	1.8
173.08214	2.6
175.07610	1.9
175.14807	12.3
179.10670	6.9
189.09079	2.9
191.07028	5.0
192.07397	4.8
193.15878	70.0
194.16171	3.7
201.05365	1.8
203.10744	1.8
217.07004	3.1
223.05959	1.7
235.09819	2.8
236.10010	5.0
269.13840	2.9
299.14664	1.9
325.16156	21.5
325.19705	3.3
355.21048	2.4
361.26077	1.8
487.15656	2.2
487.21564	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57236	1.6
53.03949	4.7
55.01880	5.6
55.05516	19.5
57.03435	16.0
57.07077	2.6
59.05016	5.7
61.02933	3.7
65.03957	2.2
67.05507	28.3
69.03431	30.1
69.07078	14.4
70.56350	3.0
71.01369	3.8
71.05010	4.9
73.02917	13.5
79.05489	10.4
80.16096	1.4
81.03432	8.3
81.07061	25.2
83.04983	66.1
83.08627	1.6
85.02909	32.4
87.04500	2.0
91.05470	9.2
93.07050	15.0
95.04975	24.3
95.08606	23.8
95.09155	2.0
96.98552	1.5
97.02887	17.6
97.03402	1.4
97.06560	6.9
99.04482	4.4
103.03954	2.3
105.07038	10.0
107.05006	2.2
107.08600	27.3
107.09283	2.2
109.02917	3.8
109.06520	12.0
109.10155	40.3
111.04437	1.7
111.08106	4.0
113.05999	1.3
115.03923	10.3
115.05438	1.5
117.07055	4.0
119.08583	13.1
121.10174	4.9
123.04446	1.9
123.08095	5.3
123.11745	4.1
125.09629	3.2
126.05566	4.3
127.03908	15.2
127.05875	1.9
133.04980	9.2
133.10133	9.1
135.08054	28.3
135.11722	11.8
137.05997	3.7
137.09619	100.0
138.09950	2.4
139.07532	1.9
141.77168	1.7
143.08632	3.1
145.04938	8.2
145.10139	3.0
147.11766	1.5
149.09650	3.6
149.13318	3.1
151.11211	3.7
153.09138	3.3
155.10637	3.5
161.09688	3.0
163.06288	2.6
163.07593	10.6
165.12761	1.8
175.14824	12.5
177.08977	2.3
179.10716	6.6
181.08646	4.2
185.08162	2.4
191.07062	2.7
192.07372	1.6
193.15889	59.8
236.10028	2.6
269.13882	3.4
278.11191	1.5
307.18936	1.9
325.12756	2.7
325.16318	4.9
325.20148	2.9
355.21063	2.3
487.21991	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.2
53.25048	4.9
55.05515	31.5
57.03425	5.3
59.04980	7.6
67.05503	67.3
67.42030	4.7
69.03402	6.2
69.07069	18.8
69.17926	42.6
70.16441	4.8
71.05032	5.4
79.05494	92.9
81.03420	11.9
81.07057	82.6
83.04981	41.0
83.08601	6.1
85.06519	5.5
86.74641	4.7
91.05485	84.3
93.07044	88.6
95.04980	43.9
95.08606	64.9
97.06509	13.3
98.22580	7.3
103.05489	6.2
105.07031	60.7
107.04965	8.8
107.08598	60.4
109.06510	21.8
109.10120	27.2
111.04418	6.1
111.08091	9.1
113.06068	7.1
115.05469	7.3
117.07051	22.3
119.08575	58.9
121.06517	21.7
121.10157	32.2
123.08057	30.3
123.11658	5.5
128.06241	10.8
129.07034	32.4
131.08554	26.9
133.06462	6.9
133.10133	38.4
135.08055	20.0
135.11702	17.9
139.07544	7.8
141.06973	8.6
142.07791	13.3
143.08568	35.7
145.06538	9.9
145.10124	55.4
147.08092	16.7
147.11722	44.8
149.09616	11.6
149.13306	9.6
153.07060	7.5
155.08575	27.1
157.10124	35.6
159.08098	9.2
159.11688	37.8
161.09615	20.5
161.13272	22.8
163.11183	7.3
167.08577	12.9
168.09378	6.5
169.10141	27.1
171.08066	18.8
171.11681	46.8
173.09636	31.5
173.13257	11.9
175.11209	15.6
178.07884	6.8
179.08594	10.8
180.09280	8.6
181.10129	25.4
181.12308	8.6
182.10851	7.0
183.08003	5.8
183.11707	20.3
185.09659	8.7
185.13187	12.7
187.11226	13.3
187.14867	6.4
189.12749	17.2
193.10103	17.2
195.08160	5.4
195.11676	28.4
197.09668	9.4
197.13300	20.8
199.07581	6.4
199.11261	11.0
199.14877	6.8
201.12744	10.8
201.16426	7.6
203.10585	5.4
205.10185	8.5
206.10779	6.7
207.11688	18.2
207.13826	27.6
209.09593	14.0
209.13272	21.2
211.11223	15.2
213.09174	5.2
213.12762	14.8
215.10684	6.4
215.14488	6.1
219.11772	10.0
220.12540	5.5
221.13315	14.2
223.11147	19.0
223.14943	7.4
225.12700	15.0
229.12215	8.3
231.11777	7.9
233.13329	9.4
235.11105	5.6
235.14871	7.6
237.16374	8.5
239.10655	16.0
241.12271	10.2
243.14017	6.8
249.12683	7.1
250.13789	5.9
251.14134	6.0
261.16336	9.4
263.14316	11.4
265.12296	5.8
265.15747	11.1
269.15448	8.8
275.14453	11.6
277.15836	14.3
279.14005	7.8
279.17291	6.9
281.15271	13.7
283.17078	9.8
289.16022	5.5
291.17349	8.2
293.15173	7.1
295.16998	8.8
296.74051	6.0
302.16302	6.6
309.15002	6.9
309.18442	12.8
319.16885	13.5
323.19958	7.9
337.17950	8.5
347.19760	7.8
365.21140	11.4
377.24603	6.7
387.23193	32.3
389.24982	8.6
393.20697	8.6
397.21487	8.2
405.24298	56.8
406.24835	9.3
407.26080	7.7
415.22751	50.6
423.25381	30.3
433.23755	100.0
434.24188	17.1
451.24811	97.2
452.25067	18.6
469.25702	20.0
487.30234	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44247	1.1
53.03941	2.6
55.05267	1.8
55.05512	19.4
65.03960	1.1
67.05503	5.9
69.07073	1.5
69.17011	8.8
79.05495	5.1
81.07056	6.1
83.04980	100.0
85.06554	1.2
91.05477	8.6
93.07036	9.4
95.04961	3.4
95.08608	10.9
105.03464	1.5
105.07044	7.2
107.08594	6.4
109.10156	3.1
111.04476	2.2
111.08076	1.9
117.06997	3.4
119.08584	8.5
121.06518	3.0
121.10150	2.5
123.08073	3.8
127.65476	1.1
127.96129	0.9
128.06267	1.1
129.07031	3.1
131.08595	6.1
133.10127	4.2
135.08058	1.4
139.07562	2.7
141.07005	1.7
142.07759	2.0
143.08611	7.9
144.09341	1.1
145.06537	1.6
145.10139	8.2
147.08035	2.4
147.11681	3.1
148.07529	1.1
149.09528	1.0
155.08582	7.0
155.09645	1.3
156.09348	2.6
157.10138	8.2
158.07234	1.2
159.08051	2.8
159.11705	5.4
161.09656	3.8
165.07024	2.1
167.08514	1.4
168.09381	1.9
169.10135	4.9
171.08084	2.5
171.11667	5.7
173.09578	4.0
173.13306	2.7
175.11169	1.5
179.08589	3.3
179.82001	1.2
180.09300	1.6
181.10158	4.2
181.93008	1.1
183.11670	6.8
185.09630	2.5
185.13283	4.8
187.07523	1.3
187.11195	3.6
189.12660	2.3
191.08510	1.1
193.10141	3.8
193.12285	1.0
194.10899	1.6
195.11710	3.8
196.12509	1.5
197.09596	1.4
197.13184	5.2
199.07617	1.3
199.11162	3.2
199.14912	1.6
201.09093	1.5
201.12747	3.1
203.10690	1.2
205.10194	2.5
207.11717	2.8
207.13676	1.1
209.09547	1.1
209.13258	3.6
211.11227	3.0
211.14937	1.3
213.12770	2.1
219.11671	1.2
221.13304	2.6
223.11267	2.6
223.14821	2.4
225.12721	1.6
227.14299	1.9
231.11703	1.7
232.12482	1.7
233.13277	1.8
235.14815	2.5
237.16310	1.7
239.14423	1.7
241.12390	1.5
247.14767	2.5
251.17715	1.3
253.12346	1.4
255.13899	1.6
261.12848	1.4
261.16452	1.4
263.14185	1.4
265.15808	1.9
267.17352	2.4
273.16269	1.3
279.17377	1.6
283.16937	1.6
293.15417	1.7
323.20090	3.0
324.19724	1.3
325.21567	1.9
327.19617	1.2
337.17883	1.8
347.19943	1.4
351.19586	2.4
359.23633	1.2
365.21121	1.6
369.20599	1.4
379.26410	2.6
387.23282	1.9
389.20886	1.9
397.21829	1.8
405.24237	4.6
407.22052	1.1
407.25919	10.2
411.21759	2.0
415.22772	5.3
423.25446	2.3
433.18646	1.2
433.23795	11.7
434.24368	1.7
451.24796	14.3
452.25229	1.9
469.25827	7.6
487.26019	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.2
53.25048	4.9
55.05515	31.5
57.03425	5.3
59.04980	7.6
67.05503	67.3
67.42030	4.7
69.03402	6.2
69.07069	18.8
69.17926	42.6
70.16441	4.8
71.05032	5.4
79.05494	92.9
81.03420	11.9
81.07057	82.6
83.04981	41.0
83.08601	6.1
85.06519	5.5
86.74641	4.7
91.05485	84.3
93.07044	88.6
95.04980	43.9
95.08606	64.9
97.06509	13.3
98.22580	7.3
103.05489	6.2
105.07031	60.7
107.04965	8.8
107.08598	60.4
109.06510	21.8
109.10120	27.2
111.04418	6.1
111.08091	9.1
113.06068	7.1
115.05469	7.3
117.07051	22.3
119.08575	58.9
121.06517	21.7
121.10157	32.2
123.08057	30.3
123.11658	5.5
128.06241	10.8
129.07034	32.4
131.08554	26.9
133.06462	6.9
133.10133	38.4
135.08055	20.0
135.11702	17.9
139.07544	7.8
141.06973	8.6
142.07791	13.3
143.08568	35.7
145.06538	9.9
145.10124	55.4
147.08092	16.7
147.11722	44.8
149.09616	11.6
149.13306	9.6
153.07060	7.5
155.08575	27.1
157.10124	35.6
159.08098	9.2
159.11688	37.8
161.09615	20.5
161.13272	22.8
163.11183	7.3
167.08577	12.9
168.09378	6.5
169.10141	27.1
171.08066	18.8
171.11681	46.8
173.09636	31.5
173.13257	11.9
175.11209	15.6
178.07884	6.8
179.08594	10.8
180.09280	8.6
181.10129	25.4
181.12308	8.6
182.10851	7.0
183.08003	5.8
183.11707	20.3
185.09659	8.7
185.13187	12.7
187.11226	13.3
187.14867	6.4
189.12749	17.2
193.10103	17.2
195.08160	5.4
195.11676	28.4
197.09668	9.4
197.13300	20.8
199.07581	6.4
199.11261	11.0
199.14877	6.8
201.12744	10.8
201.16426	7.6
203.10585	5.4
205.10185	8.5
206.10779	6.7
207.11688	18.2
207.13826	27.6
209.09593	14.0
209.13272	21.2
211.11223	15.2
213.09174	5.2
213.12762	14.8
215.10684	6.4
215.14488	6.1
219.11772	10.0
220.12540	5.5
221.13315	14.2
223.11147	19.0
223.14943	7.4
225.12700	15.0
229.12215	8.3
231.11777	7.9
233.13329	9.4
235.11105	5.6
235.14871	7.6
237.16374	8.5
239.10655	16.0
241.12271	10.2
243.14017	6.8
249.12683	7.1
250.13789	5.9
251.14134	6.0
261.16336	9.4
263.14316	11.4
265.12296	5.8
265.15747	11.1
269.15448	8.8
275.14453	11.6
277.15836	14.3
279.14005	7.8
279.17291	6.9
281.15271	13.7
283.17078	9.8
289.16022	5.5
291.17349	8.2
293.15173	7.1
295.16998	8.8
296.74051	6.0
302.16302	6.6
309.15002	6.9
309.18442	12.8
319.16885	13.5
323.19958	7.9
337.17950	8.5
347.19760	7.8
365.21140	11.4
377.24603	6.7
387.23193	32.3
389.24982	8.6
393.20697	8.6
397.21487	8.2
405.24298	56.8
406.24835	9.3
407.26080	7.7
415.22751	50.6
423.25381	30.3
433.23755	100.0
434.24188	17.1
451.24811	97.2
452.25067	18.6
469.25702	20.0
487.30234	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3077
Annotation	Hyrtiosin B
Peak:m/z	Relative Intensity
50.01588	0.8
51.02381	1.5
53.03945	7.7
55.01870	3.4
55.05509	25.0
56.05856	0.9
57.03436	2.6
57.07076	0.8
59.05007	1.1
65.03937	5.9
67.05502	64.9
68.05836	1.1
69.03419	2.3
69.07065	12.6
71.04987	3.7
71.31339	0.8
73.06552	3.3
77.03934	2.7
78.04697	0.6
79.05489	100.0
80.05826	1.9
81.03416	12.8
81.07052	57.1
82.07390	1.4
83.04977	17.9
83.08611	8.2
84.05312	1.5
85.02907	0.7
85.06524	3.3
87.04441	0.4
87.08117	0.5
91.05476	79.8
92.05804	1.7
93.07038	74.2
94.07382	1.2
95.04965	28.5
95.08601	35.4
96.05312	0.6
96.08945	0.9
97.02867	1.1
97.06519	7.5
97.10157	4.9
99.04481	0.5
99.08107	1.1
101.06013	0.7
103.05470	2.6
105.03429	2.0
105.04523	4.3
105.07024	55.2
106.07355	1.2
107.04948	8.8
107.08588	25.8
108.08900	0.8
109.06509	9.5
109.10153	6.4
111.04453	0.4
111.08089	2.2
115.05470	2.6
115.06170	0.4
117.06194	0.8
117.07014	13.3
117.07835	0.8
119.08576	33.1
120.08904	0.9
121.06484	3.9
121.10136	7.7
123.08067	8.0
123.11726	0.9
125.09644	0.5
127.06726	0.5
127.07567	1.8
128.06210	5.1
129.07002	23.3
130.07805	0.8
131.08545	5.9
133.06468	2.2
133.10120	14.3
134.10468	0.5
135.08035	1.7
135.11670	3.1
137.09599	1.3
139.07481	0.8
141.06981	1.5
141.09108	1.2
143.08545	12.7
145.10115	14.4
145.11256	0.9
146.10533	0.6
147.08081	2.9
147.11678	43.2
148.12027	1.6
149.09581	0.7
149.13231	0.8
155.08531	0.6
156.09317	1.6
157.10135	1.4
159.11610	2.6
161.09616	5.2
161.13249	21.7
162.13507	0.8
163.11198	2.6
165.09099	1.0
169.10143	1.2
171.11681	40.2
172.12068	1.4
173.13301	0.7
174.09607	0.5
175.11174	0.5
177.12750	1.0
179.14297	4.9
181.12514	0.4
187.11111	0.6
189.12738	15.7
190.13068	0.7
195.11607	0.9
197.13300	0.7
207.13791	42.3
208.14146	1.4
209.13235	0.8
211.14864	0.7
221.13441	0.5
223.14865	0.8
225.14793	6.0
227.14462	0.5
233.15401	0.8
250.94394	0.5
263.16498	1.8
279.16248	0.6
281.17435	4.0
365.11606	0.7
377.24744	1.3
381.14499	0.6
383.12637	0.8
397.14163	0.8
409.14499	0.8
412.16852	0.6
413.17462	1.4
424.16718	0.9
441.16989	1.2
455.18671	1.2
456.19257	1.2
459.21515	0.9
469.29285	0.8
487.20288	4.4
487.30472	40.6
488.21286	0.5
488.30783	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3415
Annotation	CHEBI:65783
Peak:m/z	Relative Intensity
53.03944	8.2
54.05100	2.8
55.05512	30.7
57.07085	4.7
65.03956	6.9
67.05512	40.8
69.07063	27.2
71.30665	4.4
79.05495	39.7
79.95185	2.4
81.07058	72.1
83.04984	23.1
83.08630	17.1
85.06546	4.7
91.05479	50.5
93.07042	86.1
95.04969	9.1
95.08607	97.3
96.08919	3.4
97.06496	8.3
97.10165	4.3
102.57922	2.6
103.05494	6.4
105.04604	2.8
105.07030	79.4
107.08594	100.0
109.06544	9.5
109.10165	44.0
111.04451	4.4
111.08090	12.5
115.05465	4.6
117.07019	18.3
119.08582	93.1
121.05536	2.7
121.06522	10.1
121.10143	80.0
123.08067	7.9
123.11703	13.6
125.06001	3.8
128.06229	7.1
129.07014	10.9
131.08571	50.2
133.06554	3.6
133.10130	71.3
133.14255	3.5
135.08076	15.4
135.11702	33.5
136.74739	3.2
137.09633	5.7
137.13234	4.7
139.07593	3.9
139.88307	3.1
141.06967	4.4
141.09091	5.1
142.07805	4.9
143.08566	22.9
144.09328	4.6
145.10132	53.0
147.08044	9.8
147.11691	44.9
149.09631	12.3
149.13263	18.7
153.09120	8.9
155.08548	7.9
156.09387	4.6
157.10124	23.6
159.08043	6.1
159.11713	35.0
161.09615	11.6
161.13248	28.3
162.13554	3.2
163.07497	5.6
163.11157	18.6
163.14836	9.1
165.09077	4.7
165.12762	3.6
167.08566	3.1
167.10675	13.9
169.10162	10.5
170.79176	3.0
171.08025	3.3
171.11630	24.5
173.09674	8.0
173.13257	36.6
175.11194	13.0
175.14827	19.4
177.09091	7.5
177.12782	5.3
177.16411	7.8
179.10704	8.9
181.12241	20.8
183.11694	8.4
185.09743	3.6
185.13269	21.3
187.11180	6.7
187.14822	27.3
189.09129	3.4
189.12814	8.5
189.16406	10.3
191.10689	4.4
191.14357	7.7
193.15895	3.9
195.11758	5.1
195.13800	7.9
197.09468	4.1
197.13304	13.1
199.11203	6.4
199.14865	17.8
201.12723	8.0
201.16435	15.0
203.14304	7.1
205.15970	3.9
207.11699	4.3
207.13831	6.1
209.13445	4.6
209.15424	9.3
211.14847	7.1
213.12790	6.1
213.16367	6.6
215.14334	14.4
215.17940	7.8
217.15895	5.8
219.13806	16.4
219.17464	6.3
221.15355	9.1
223.14948	5.4
223.16913	5.2
225.12888	3.7
225.16353	4.8
226.09460	5.1
227.14296	10.5
229.15929	6.0
231.13826	8.1
231.17418	5.0
233.15367	15.7
235.16882	10.4
237.18581	7.0
241.15886	8.8
243.17465	3.7
245.15421	18.2
247.16960	5.7
249.18596	16.7
253.08736	4.2
253.19522	3.5
254.09010	4.4
255.09099	3.5
255.17432	3.5
259.16882	3.3
273.18433	3.5
281.07962	3.6
281.11664	3.5
283.08615	5.6
313.10477	3.7
315.11334	5.2
347.13925	10.8
405.31616	10.6
415.29980	7.3
423.32507	12.6
433.31052	26.9
435.25339	6.2
451.31961	27.9
452.32504	5.0
453.26453	10.1
469.33359	14.4
471.27271	12.1
487.24057	24.5
487.34027	8.4
488.24738	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.9
55.05516	16.5
57.07071	4.3
60.33825	2.5
65.03944	7.1
67.05502	50.2
69.03426	4.6
69.07063	15.6
69.24863	11.1
69.25295	8.8
71.04986	5.1
72.30182	2.7
79.05494	37.1
81.03414	3.9
81.07053	56.1
83.04984	7.4
83.08627	10.7
91.05479	36.8
93.07046	67.2
95.04974	17.0
95.08606	100.0
97.06532	8.4
97.10165	6.7
98.23037	12.3
99.04459	4.7
99.08092	5.4
105.03352	4.1
105.07026	53.5
105.32662	2.6
106.07339	3.1
107.08595	71.0
109.06534	7.8
109.10158	36.5
111.08084	10.1
115.05402	6.0
117.07037	10.3
119.08585	60.2
121.06521	11.5
121.10144	51.4
123.08056	19.3
123.11694	14.2
125.09632	9.4
128.06180	4.2
129.07005	7.6
131.08569	18.6
133.06532	3.5
133.10132	40.9
135.08043	12.3
135.11685	25.2
137.09630	6.9
137.13263	3.5
141.09138	6.3
142.07693	5.1
143.08585	15.8
145.10104	40.3
147.08070	11.6
147.11697	40.8
149.09628	14.3
149.13245	10.3
155.08554	5.1
156.09406	3.0
157.10147	18.5
159.08063	6.4
159.11687	24.6
161.09621	11.0
161.13251	30.1
163.11177	15.2
163.14792	4.4
165.09134	3.9
169.10066	4.8
171.11708	19.1
173.09589	5.9
173.13272	19.2
175.11253	6.6
175.14818	18.8
177.09087	3.7
177.12823	4.4
177.16403	4.6
179.10733	3.5
181.12263	3.4
183.11763	8.1
185.13159	6.7
187.14838	13.5
189.12737	9.3
189.16374	13.1
191.14342	4.8
197.13313	6.1
199.14799	8.8
201.12750	3.8
201.16426	6.5
203.14362	5.3
207.13879	8.7
209.15279	3.5
211.14833	4.2
213.16394	7.7
215.14333	6.7
215.18152	4.5
217.15919	6.7
221.15437	8.3
223.14865	3.6
225.16394	3.5
227.18022	3.3
229.15988	4.0
231.17374	6.1
233.15439	10.3
235.16911	10.8
245.15434	3.8
247.16995	12.1
249.18434	3.5
261.18631	3.4
273.18713	3.2
281.22409	3.1
316.34662	3.3
327.23294	5.2
359.26028	4.4
405.31619	4.9
409.27463	3.9
415.29886	3.4
423.32507	6.1
433.30957	8.5
441.33511	4.8
443.25726	4.6
451.32074	22.5
452.32370	4.1
469.33102	22.1
470.33472	6.1
487.24301	5.7
487.35004	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3424
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05502	19.0
56.49452	4.1
57.07069	10.0
67.05499	40.9
69.07066	15.7
70.85642	4.7
71.31621	4.7
71.31985	5.0
79.05488	24.9
81.07057	70.4
83.04983	10.2
85.06551	6.3
87.04477	55.1
88.04800	11.4
88.95747	4.0
91.05507	29.4
93.07038	60.7
95.04971	11.7
95.08609	100.0
97.06542	15.3
105.07030	54.7
107.08595	62.3
109.06481	6.1
109.10166	58.0
111.08070	7.2
113.06020	4.9
113.15252	4.4
117.06973	7.8
119.08585	67.7
121.06496	11.5
121.10152	54.0
123.04548	4.8
123.08071	17.3
123.11723	21.7
125.09657	10.9
131.08580	25.9
133.10106	40.7
135.08083	7.4
135.11697	27.8
137.13210	4.8
139.11331	5.1
143.08578	10.4
145.10118	31.4
147.08023	6.1
147.11697	31.6
149.09607	13.0
149.13268	11.4
155.08569	6.4
155.10620	5.5
157.10156	16.1
159.11707	34.2
161.09636	12.9
161.13268	48.1
163.11188	5.3
165.09099	8.0
167.10603	6.6
171.11749	12.8
173.13205	25.4
175.11235	11.8
175.14882	19.0
178.61050	4.3
179.10735	6.7
185.13251	11.3
187.14859	16.9
189.16393	15.8
191.10571	4.7
193.12112	5.3
199.14893	10.2
201.16405	12.0
203.17906	6.7
205.04803	6.0
213.16222	5.5
215.14392	7.5
217.15950	7.6
217.30920	4.4
221.15437	16.2
229.15916	15.2
233.15326	10.8
235.16971	20.4
247.16928	13.1
249.18460	4.8
270.56271	4.4
290.61081	4.7
373.35263	4.8
405.31302	5.3
423.32431	10.1
433.30994	8.3
441.33588	11.9
451.32104	15.0
469.33112	20.4
487.28021	75.5
487.35117	57.6
488.28455	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.05510	9.7
57.07071	3.8
64.76089	2.2
65.03950	2.6
67.05172	3.3
67.05505	33.1
69.07061	9.5
71.04993	3.2
79.05496	18.6
81.07058	50.2
83.04990	3.2
83.08642	3.5
85.02906	3.0
85.06550	3.7
91.05474	20.0
93.07052	44.4
95.04963	9.3
95.08607	100.0
96.08936	3.9
97.06506	7.4
97.10145	3.3
99.04448	3.6
99.08086	4.8
105.07025	35.3
107.08588	43.8
109.06485	4.1
109.10146	32.1
111.04479	3.1
111.08076	9.0
117.06973	5.3
119.08582	41.8
121.06525	6.4
121.10149	36.6
123.08102	22.9
123.11688	17.1
125.09624	9.6
128.06282	2.2
129.07004	3.6
131.08578	19.4
133.10136	31.2
134.52611	2.3
135.08058	3.7
135.11670	19.7
137.09648	5.7
141.09100	7.2
142.07881	3.1
143.08563	9.5
145.10101	21.1
147.08081	4.6
147.11674	26.2
149.09647	4.1
149.13286	7.1
151.11188	4.5
153.09149	2.7
155.08533	2.6
156.09341	3.4
156.92432	2.4
157.10085	12.6
159.11652	22.3
161.09613	10.9
161.13245	26.6
162.13506	2.9
163.11211	3.4
165.09123	4.6
169.10107	5.0
171.08171	2.6
171.11684	12.6
173.09625	4.8
173.13246	18.9
175.11195	6.0
175.14830	9.4
179.10657	5.3
183.11713	3.1
185.13283	5.6
187.14816	14.1
189.12651	5.0
189.16385	12.5
197.13269	7.0
199.11229	4.2
199.14841	6.9
201.12688	4.0
201.16394	3.6
203.14320	5.1
207.13820	4.7
209.13289	2.8
211.14845	4.8
213.16371	5.7
215.14319	7.4
215.17963	3.3
217.15881	7.4
219.13864	3.7
221.15337	7.3
231.17372	4.6
233.15353	7.3
233.27335	2.7
235.16937	14.6
241.19446	2.6
247.16953	10.7
293.40103	2.5
324.54739	2.5
327.23260	5.8
365.45804	2.6
399.02011	2.3
405.31516	2.6
423.32257	7.3
433.31131	18.4
434.31412	5.7
451.32019	21.4
452.32437	2.7
469.33078	19.8
470.33304	3.0
487.34341	20.3
488.34698	4.0
493.76837	3.1
493.84024	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.342
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.03939	4.3
55.05511	14.9
65.03943	3.1
66.29548	1.8
67.05508	29.7
69.03419	7.8
69.07068	9.3
69.09111	5.2
69.09512	13.4
72.64294	1.9
75.46490	1.8
79.05498	17.2
81.07059	50.1
83.04977	4.4
83.08627	8.0
85.02881	2.7
91.05480	21.7
93.07046	44.7
94.07365	2.1
95.04960	6.7
95.08610	100.0
96.08974	3.8
97.06544	3.0
97.10144	3.1
99.08073	4.5
100.25080	2.2
105.07032	41.0
107.08603	50.8
108.71318	2.4
109.06532	5.7
109.10154	34.9
111.08080	8.2
112.49934	2.6
115.05505	2.4
117.07040	6.8
119.08587	48.5
121.06526	6.3
121.10139	35.2
123.08064	18.8
123.11700	19.6
125.09615	7.6
128.06207	2.7
129.07024	2.9
131.08569	20.6
133.06485	2.4
133.10133	38.8
135.08058	7.0
135.11702	19.1
137.09593	4.2
137.13252	3.8
139.07507	3.7
139.11244	3.0
141.09146	11.2
143.08578	9.5
145.10124	27.6
147.08058	5.8
147.11688	23.9
149.09618	8.6
149.13261	10.7
153.09120	4.7
157.10126	13.2
159.08011	3.1
159.11681	25.6
161.09621	7.9
161.13249	29.3
163.11140	4.5
165.09055	2.7
169.10127	4.8
171.11697	13.4
173.09608	5.0
173.13264	18.3
175.11198	8.3
175.14836	11.1
179.10625	4.2
181.12195	2.4
182.02106	2.2
183.11754	3.4
185.13266	8.5
187.11223	3.0
187.14844	12.7
189.12735	4.3
189.16373	10.5
191.10622	2.7
191.14339	3.1
191.17921	3.2
197.13245	6.1
199.11256	2.3
199.14752	5.7
201.12746	5.2
201.16322	3.8
203.14325	7.5
203.80069	2.5
207.13785	2.8
209.13368	2.9
209.15414	2.9
211.14828	6.5
213.16393	5.5
215.14282	8.0
215.18047	2.2
217.15878	7.8
219.13815	3.5
221.13522	2.1
221.15427	12.1
225.16402	2.8
227.14285	3.1
227.17902	3.2
229.15858	6.1
231.13869	2.6
231.17583	2.8
233.15309	8.1
235.16933	17.7
247.14688	2.3
247.16937	13.1
263.17938	3.0
327.23230	3.3
329.24719	2.7
345.24350	2.6
351.27069	2.4
355.26114	2.6
405.31635	4.0
415.30051	3.6
423.32416	6.8
424.33102	2.7
433.31091	14.7
441.33655	5.8
443.28308	2.3
451.32135	19.0
469.33234	21.1
487.34329	15.9
508.96674	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.342
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.03947	3.9
55.05516	16.5
57.07071	4.3
60.33825	2.5
65.03944	7.1
67.05502	50.2
69.03426	4.6
69.07063	15.6
69.24863	11.1
69.25295	8.8
71.04986	5.1
72.30182	2.7
79.05494	37.1
81.03414	3.9
81.07053	56.1
83.04984	7.4
83.08627	10.7
91.05479	36.8
93.07046	67.2
95.04974	17.0
95.08606	100.0
97.06532	8.4
97.10165	6.7
98.23037	12.3
99.04459	4.7
99.08092	5.4
105.03352	4.1
105.07026	53.5
105.32662	2.6
106.07339	3.1
107.08595	71.0
109.06534	7.8
109.10158	36.5
111.08084	10.1
115.05402	6.0
117.07037	10.3
119.08585	60.2
121.06521	11.5
121.10144	51.4
123.08056	19.3
123.11694	14.2
125.09632	9.4
128.06180	4.2
129.07005	7.6
131.08569	18.6
133.06532	3.5
133.10132	40.9
135.08043	12.3
135.11685	25.2
137.09630	6.9
137.13263	3.5
141.09138	6.3
142.07693	5.1
143.08585	15.8
145.10104	40.3
147.08070	11.6
147.11697	40.8
149.09628	14.3
149.13245	10.3
155.08554	5.1
156.09406	3.0
157.10147	18.5
159.08063	6.4
159.11687	24.6
161.09621	11.0
161.13251	30.1
163.11177	15.2
163.14792	4.4
165.09134	3.9
169.10066	4.8
171.11708	19.1
173.09589	5.9
173.13272	19.2
175.11253	6.6
175.14818	18.8
177.09087	3.7
177.12823	4.4
177.16403	4.6
179.10733	3.5
181.12263	3.4
183.11763	8.1
185.13159	6.7
187.14838	13.5
189.12737	9.3
189.16374	13.1
191.14342	4.8
197.13313	6.1
199.14799	8.8
201.12750	3.8
201.16426	6.5
203.14362	5.3
207.13879	8.7
209.15279	3.5
211.14833	4.2
213.16394	7.7
215.14333	6.7
215.18152	4.5
217.15919	6.7
221.15437	8.3
223.14865	3.6
225.16394	3.5
227.18022	3.3
229.15988	4.0
231.17374	6.1
233.15439	10.3
235.16911	10.8
245.15434	3.8
247.16995	12.1
249.18434	3.5
261.18631	3.4
273.18713	3.2
281.22409	3.1
316.34662	3.3
327.23294	5.2
359.26028	4.4
405.31619	4.9
409.27463	3.9
415.29886	3.4
423.32507	6.1
433.30957	8.5
441.33511	4.8
443.25726	4.6
451.32074	22.5
452.32370	4.1
469.33102	22.1
470.33472	6.1
487.24301	5.7
487.35004	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3418
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
50.41117	2.1
53.03947	4.8
55.01865	3.7
55.05510	13.5
58.80639	2.0
65.03944	2.4
67.05500	32.8
69.03433	4.7
69.07075	13.0
70.93809	1.8
70.94300	2.3
71.05013	2.6
72.96585	2.1
79.05492	19.7
81.03413	6.8
81.07061	47.3
83.04972	14.6
83.08633	4.9
83.59997	2.2
85.06541	2.9
91.05478	28.5
93.07042	39.4
95.04979	14.1
95.08608	100.0
96.08939	2.7
97.02866	3.1
97.06541	8.6
97.10179	4.0
97.75510	2.3
98.23368	4.6
99.04445	3.5
99.08111	6.8
103.05457	2.5
105.07031	39.7
105.07679	3.7
107.04943	4.1
107.08603	46.5
109.06529	7.6
109.10162	31.2
111.04465	3.0
111.08069	11.5
113.06048	3.6
115.05486	3.4
117.07003	11.4
119.08578	41.1
121.06513	9.9
121.10151	36.0
123.08078	21.6
123.11691	15.4
125.05959	2.6
125.09644	5.9
128.06219	3.0
129.07024	7.1
131.08586	16.6
133.06532	4.3
133.10127	31.4
135.04424	2.6
135.08058	7.7
135.11708	24.0
137.09621	6.0
139.07594	4.9
141.09120	6.4
143.08566	13.2
145.06525	5.4
145.10136	28.9
147.08061	9.5
147.11697	24.1
149.09669	8.7
149.13289	9.4
153.09082	4.8
155.08635	4.4
156.09270	3.2
157.10120	15.5
159.08035	4.6
159.11674	25.5
161.09668	9.1
161.13272	23.7
163.11217	4.1
163.14828	3.1
165.09157	2.7
166.66936	2.3
167.10634	2.6
169.10152	7.1
170.10774	2.3
171.08069	2.6
171.11736	10.1
173.09630	5.8
173.13280	19.3
175.07597	4.1
175.11215	10.1
175.14862	8.2
177.09097	4.1
179.10672	5.4
181.10150	3.4
181.12256	2.7
183.11772	5.7
185.09688	3.6
185.13261	10.1
187.11174	5.0
187.14825	12.0
189.09120	3.4
189.12714	4.3
189.16324	10.5
193.10182	2.6
193.12234	3.2
195.07990	2.3
197.09517	4.0
197.13341	7.5
198.14000	2.4
199.11288	2.7
199.14886	8.4
201.12764	3.2
201.16396	5.1
203.14322	4.8
205.15916	3.7
207.11790	4.6
207.13692	4.3
208.12614	3.3
208.93623	2.6
209.09586	2.5
209.13286	4.1
209.15378	2.6
211.11203	2.9
211.14841	6.1
213.12808	4.7
213.16423	4.6
215.14310	7.6
215.18077	2.6
217.15875	9.0
219.13705	5.4
221.13380	4.5
221.15450	11.3
223.11325	3.1
225.12651	2.4
225.16330	3.7
229.16019	5.2
231.17528	2.8
233.15433	8.9
235.16904	12.6
245.15367	3.2
247.17036	7.2
249.18555	3.1
261.18680	4.1
269.19241	2.8
287.19943	2.4
321.18060	2.4
327.23242	2.7
329.24954	2.2
341.10281	3.3
341.24832	4.0
369.32263	2.2
369.95624	2.2
395.25818	4.1
405.31693	4.0
423.32513	6.0
433.31003	13.0
441.33646	3.8
451.32581	14.6
469.19986	3.0
469.33490	16.9
487.21103	9.3
487.35059	13.8
488.35159	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.8
55.01870	3.2
55.05508	15.5
57.07066	2.7
63.35466	1.8
65.03946	4.4
67.05173	3.4
67.05507	38.9
69.03436	2.4
69.07069	14.9
71.04980	3.6
74.97182	2.1
79.05492	23.7
81.03427	2.3
81.07056	50.0
83.04975	11.1
83.08619	4.5
85.06540	3.3
87.04531	2.1
91.05476	23.0
93.07041	47.0
95.04959	10.7
95.08608	100.0
96.08925	2.7
97.06526	8.2
97.10199	3.5
99.04444	5.1
99.08081	4.3
105.04500	2.1
105.07027	49.3
107.08594	51.4
109.06516	9.4
109.10159	34.1
111.04427	3.5
111.08084	10.2
113.06023	4.6
117.07051	5.5
119.08573	55.0
121.06509	6.8
121.10141	46.2
123.08076	25.7
123.11710	19.8
125.09631	8.1
128.06195	2.0
129.07021	4.2
131.08574	23.6
133.06490	3.4
133.10127	36.4
133.11061	2.9
135.08073	7.4
135.11678	22.2
137.06017	2.5
137.09645	7.7
137.13283	3.0
139.07617	2.4
141.06964	2.0
141.09102	8.2
142.07770	2.8
143.08545	15.0
145.10126	34.0
147.08057	7.5
147.11679	25.4
149.09637	7.6
149.13258	7.5
153.09134	2.2
155.08607	4.6
156.09369	2.1
157.10103	19.4
159.08087	6.2
159.11685	26.3
161.09645	10.6
161.13237	27.4
163.07610	1.9
163.11177	5.8
163.14832	3.2
165.09084	5.1
165.12755	1.9
167.10667	5.6
169.10132	7.4
170.10928	2.3
171.08075	2.2
171.11725	12.3
173.09624	7.2
173.13245	20.9
175.07603	3.4
175.11223	8.4
175.14836	11.6
177.09120	4.2
177.12799	4.0
177.16374	2.0
178.85036	2.3
179.10681	4.2
181.10191	3.9
183.11729	5.3
185.09669	2.7
185.13243	8.7
187.11250	3.4
187.14839	11.5
189.12755	5.3
189.16399	8.9
191.10692	4.2
195.11748	2.9
195.13606	2.2
197.13226	8.2
199.11261	3.6
199.14806	10.5
200.26561	1.7
201.12781	5.7
201.16429	5.6
203.14323	7.0
203.17987	4.0
205.12157	2.6
205.15958	2.4
206.10822	2.0
207.11804	2.8
207.13707	2.4
209.13272	2.8
211.14879	6.5
213.16463	5.5
215.14354	7.6
215.18004	2.1
217.15910	10.3
219.13748	3.5
219.86726	1.9
221.15359	8.2
223.14835	2.1
223.53252	1.9
227.14348	2.5
227.17979	2.1
229.15828	4.1
231.17468	2.5
233.15359	11.5
235.16891	15.2
239.14478	2.7
241.19560	2.1
243.13824	2.0
247.16965	8.0
279.17529	2.2
287.20151	2.3
301.21649	2.6
327.23206	2.1
329.24844	2.5
337.25253	2.3
341.10229	2.9
405.31329	4.1
415.30283	2.8
423.32629	7.3
433.24875	3.2
433.30966	17.3
451.32019	14.7
469.33200	19.8
487.20535	2.9
487.34750	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3782
Annotation	Methyl 2alpha-hydroxyoleanolate
Peak:m/z	Relative Intensity
51.33572	1.7
53.03935	1.7
55.05506	16.9
57.07063	5.6
63.32900	1.7
67.05504	28.1
69.07064	32.2
70.01783	1.8
70.38235	1.8
71.04981	2.9
71.08633	3.2
73.06551	3.3
77.03925	1.9
79.05492	26.7
81.07058	58.8
83.04965	3.6
83.08619	16.4
85.06534	5.0
87.04478	3.7
91.05482	22.0
91.53357	1.7
93.07043	45.5
95.04993	2.4
95.08606	100.0
96.08879	3.1
97.06541	2.8
97.10160	5.1
99.08080	3.7
101.06032	1.7
105.07025	29.7
105.60613	1.7
107.08594	66.4
109.06506	3.1
109.09444	3.5
109.10156	54.9
110.10474	2.3
111.08084	4.2
111.11715	4.5
115.07619	2.1
118.01979	1.7
119.08588	38.4
121.06530	4.0
121.10143	61.1
122.10441	3.1
123.08092	3.5
123.11713	22.2
131.08563	7.2
133.06520	3.4
133.10123	28.1
135.08037	5.1
135.11702	25.1
137.09608	3.4
137.13264	7.2
141.09109	3.0
143.08546	2.8
145.10161	11.5
147.07996	4.6
147.11688	19.0
149.09624	4.7
149.13234	14.3
151.14825	2.7
153.09094	7.7
155.10677	2.1
157.10114	5.2
159.08006	2.4
159.11702	5.0
161.09612	5.6
161.13235	9.9
163.11147	6.1
163.14824	8.0
165.09157	3.4
167.10713	6.3
171.11720	3.6
173.13289	6.7
175.11151	6.9
175.14809	11.1
177.12793	3.1
177.16386	5.6
179.10678	3.7
181.12215	10.7
183.27512	1.7
185.13280	2.5
187.14793	3.8
189.16400	8.4
191.14330	3.1
193.16077	1.9
195.13847	3.6
199.14789	2.1
201.16409	4.0
203.17911	3.0
205.04724	5.9
205.15935	2.4
207.13699	2.1
209.15263	4.5
217.15784	2.4
217.19437	2.5
219.17464	3.3
223.16936	5.2
227.17885	2.3
231.17459	3.7
235.16856	8.8
237.18524	9.0
249.18503	7.7
251.20074	12.3
263.20010	11.6
265.21793	2.2
277.21640	6.3
305.27997	2.7
451.35782	9.4
452.36316	2.3
469.36603	6.7
487.33679	11.8
487.38516	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
54.30968	1.3
55.01869	3.3
55.05512	18.9
57.07087	7.2
58.00163	1.5
63.83278	1.5
65.03963	1.7
67.05507	26.9
69.03442	1.4
69.07065	29.9
69.07415	2.1
71.08643	1.6
79.03960	1.5
79.05489	20.7
81.06580	3.2
81.07056	59.3
83.08619	16.2
85.06567	1.9
87.04472	3.6
89.11687	1.3
91.05470	13.9
93.07045	35.7
95.08605	100.0
96.08929	1.9
97.06546	3.3
97.10158	6.7
99.08091	15.5
105.07042	19.7
107.08592	52.8
109.06535	2.9
109.10155	45.0
111.08057	3.2
111.11705	3.1
113.09012	1.7
113.09653	10.7
117.07046	3.0
119.08583	24.4
121.06506	2.7
121.10141	42.4
123.11697	32.8
125.09636	5.3
129.09100	1.9
131.08604	4.6
133.10121	26.2
133.83015	1.4
135.08054	6.3
135.11682	24.7
136.11954	1.5
137.09630	2.0
137.13232	8.0
139.11195	2.4
141.12730	3.2
143.08633	2.1
145.10150	8.0
147.11693	14.1
149.09619	5.4
149.13266	13.7
157.10147	2.8
159.11722	4.9
161.09630	6.1
161.13269	7.6
163.11182	8.5
163.14838	8.8
165.12872	1.4
165.16478	1.6
167.10641	9.2
171.11702	1.9
173.13298	4.9
175.11212	6.1
175.14796	8.4
177.12776	2.1
177.16434	5.0
179.14354	1.7
181.12241	4.8
185.13185	1.8
187.14810	3.4
189.12759	3.4
189.16388	6.5
191.14293	1.9
193.12265	3.3
193.15897	2.6
195.13736	6.4
201.16342	3.5
203.01070	3.9
203.17966	3.3
204.01427	3.3
205.00844	15.6
205.15823	2.4
205.19380	2.3
207.13745	1.3
209.15372	3.3
211.14948	1.6
217.19589	2.3
219.17598	1.6
223.16962	3.2
223.20517	1.9
229.15936	1.5
231.17482	3.3
235.17027	1.9
237.18478	4.2
237.22141	5.1
249.18442	8.9
249.22092	7.3
250.40514	1.5
251.20224	4.4
263.20120	5.9
263.23672	1.9
437.37573	1.9
487.30353	44.9
487.41165	8.8
487.47375	2.2
488.30511	5.2
502.33096	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04750	0.9
53.03943	2.2
55.01870	1.4
55.05509	18.6
57.03439	1.9
57.07079	7.4
59.04997	1.6
65.03932	1.8
67.05503	28.6
69.00076	2.0
69.00478	7.1
69.03426	2.4
69.07067	34.6
71.04971	1.1
71.08616	2.3
72.22261	0.8
73.06546	1.3
79.05493	21.1
79.05954	1.1
81.07056	55.3
82.07392	2.6
83.04973	2.5
83.08617	14.8
85.06524	1.4
85.10188	1.0
87.04463	2.5
91.04933	0.6
91.05470	15.1
93.07041	41.0
94.07362	2.1
95.04984	2.6
95.08604	100.0
96.08945	3.5
97.06541	2.9
97.10151	6.2
98.22558	1.9
99.08087	15.5
103.05427	0.9
105.04505	1.1
105.07029	21.5
106.07351	1.8
107.08592	56.1
108.08916	3.5
109.06537	4.6
109.10153	46.5
110.06858	0.9
110.10487	2.8
111.08062	2.5
111.11666	2.1
113.09646	11.2
115.05440	0.9
115.07545	2.0
117.06993	4.5
119.08573	33.8
120.08966	1.6
121.06501	3.1
121.10139	44.8
122.10487	3.0
123.08070	2.7
123.11709	30.1
125.09631	3.1
127.11185	1.4
129.06956	1.3
129.09103	1.0
131.08577	9.0
133.06494	2.4
133.10130	27.7
134.10490	2.1
135.08040	7.6
135.11690	23.1
136.11969	1.6
137.09645	2.6
137.13257	7.7
139.11206	2.3
141.12733	3.4
142.07845	1.1
143.08548	3.7
143.10652	1.0
144.09187	1.6
145.10117	13.6
145.93968	0.9
146.10635	0.9
147.08075	3.1
147.11696	16.7
147.12758	1.5
148.12100	1.6
149.09625	6.2
149.13240	14.9
151.11221	1.6
151.14822	2.1
153.09091	1.2
155.07083	0.9
155.10692	1.2
156.09285	1.2
157.10133	5.1
159.08025	1.5
159.11696	9.3
160.12006	1.6
161.09639	4.9
161.13278	9.9
162.13588	1.0
163.11179	8.4
163.14810	8.5
165.12785	1.9
167.10641	4.6
167.32610	0.9
171.11644	4.5
173.09676	2.5
173.13298	5.1
174.09981	1.1
175.11197	10.9
175.14815	12.2
177.09163	1.0
177.12801	4.2
177.16440	2.7
179.10666	1.7
181.10141	1.0
181.12230	5.8
185.13232	2.4
187.14798	4.6
189.12727	3.0
189.16399	6.0
191.14345	3.9
191.17960	1.8
193.12341	1.9
193.15912	3.0
195.13765	7.7
197.13258	1.7
197.15134	1.1
199.14874	2.6
200.15233	1.3
201.12682	1.5
201.16434	2.6
203.14439	1.2
203.17993	1.8
204.18320	1.0
205.15892	2.2
205.19542	1.3
207.13806	2.5
209.15370	3.6
211.14821	1.1
213.12740	1.0
213.16348	2.8
214.16788	1.3
215.14365	1.4
215.18024	2.6
217.15915	2.7
217.19521	1.7
219.17363	1.6
220.17789	1.0
221.15457	1.0
223.16878	5.3
223.20518	1.4
231.17516	3.0
231.21037	1.4
233.15453	1.3
235.14627	1.1
235.16898	2.3
237.18532	4.5
237.22090	3.8
249.18549	6.2
249.22060	6.6
251.19936	2.5
263.20065	6.9
263.23856	2.2
277.25415	1.0
283.20544	1.0
306.02417	1.0
329.24689	1.3
329.73114	1.0
331.26224	1.2
345.27924	2.3
377.32001	0.9
423.32425	1.5
437.38058	1.8
451.31534	2.0
462.54303	0.9
469.31961	1.6
469.40057	1.3
487.30215	1.4
487.42087	6.5
487.48044	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17130	0.4
51.34119	0.4
53.03944	0.7
55.01875	0.9
55.05499	0.6
57.03427	1.8
61.02920	2.0
62.12616	0.5
67.05511	3.0
69.03427	6.5
70.06588	1.0
70.59027	0.9
71.04977	0.6
73.02912	1.4
79.05489	1.0
81.03413	2.1
81.07047	1.7
83.01352	0.5
83.04987	0.5
84.08149	1.0
85.02905	9.7
86.00653	0.9
86.09694	0.9
87.04475	2.3
91.05441	0.7
93.07069	0.6
95.08602	6.2
97.02891	4.8
98.00652	1.4
99.04459	1.3
99.08091	0.5
100.02227	0.7
105.07027	17.5
106.06569	0.6
107.08617	0.6
109.02882	1.6
109.10155	8.5
112.02166	0.7
119.08591	2.0
121.06524	0.4
122.09665	9.0
124.07529	0.6
126.03735	1.3
127.03930	2.4
129.10258	1.4
131.07158	0.5
133.10086	0.5
138.03751	0.9
140.05302	0.7
143.08563	0.5
145.04980	0.6
147.04420	0.8
147.11678	3.7
150.03679	1.2
152.05299	2.1
154.03160	0.7
156.09325	0.6
157.10190	0.5
161.13235	1.1
164.05292	5.5
166.06728	0.6
168.04790	4.2
171.11812	0.6
172.04402	0.7
176.05280	0.6
177.06036	0.8
177.07457	0.5
178.06841	4.4
180.04834	1.8
180.08438	0.9
188.05260	4.5
189.05988	1.0
190.06839	2.2
196.04256	0.9
198.12827	0.7
200.03821	1.3
202.06921	0.7
203.07596	6.4
204.08417	8.2
206.10043	0.5
210.05824	2.6
211.06604	1.3
212.03775	3.1
212.14348	0.6
213.15109	0.8
213.41052	0.4
214.05331	5.8
216.08421	1.7
218.09853	1.1
220.11600	0.4
223.06654	0.7
224.07401	3.8
225.08171	2.5
226.05316	8.9
226.08794	1.0
227.05850	0.6
228.06931	0.9
231.10831	1.0
232.05063	0.4
237.08313	0.5
240.06873	3.2
244.11732	0.5
246.13116	38.5
247.13409	2.1
250.09012	3.1
252.06725	2.5
262.12637	1.4
264.14270	2.0
265.11301	4.7
266.11948	1.3
267.09015	0.4
268.10040	1.3
270.08087	0.9
275.09955	0.5
290.12088	9.2
291.12323	0.6
297.61328	0.4
308.13150	13.6
309.13571	0.7
326.14212	8.6
450.51163	0.4
488.19473	100.0
489.19788	10.1
498.51141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17130	0.4
51.34119	0.4
53.03944	0.7
55.01875	0.9
55.05499	0.6
57.03427	1.8
61.02920	2.0
62.12616	0.5
67.05511	3.0
69.03427	6.5
70.06588	1.0
70.59027	0.9
71.04977	0.6
73.02912	1.4
79.05489	1.0
81.03413	2.1
81.07047	1.7
83.01352	0.5
83.04987	0.5
84.08149	1.0
85.02905	9.7
86.00653	0.9
86.09694	0.9
87.04475	2.3
91.05441	0.7
93.07069	0.6
95.08602	6.2
97.02891	4.8
98.00652	1.4
99.04459	1.3
99.08091	0.5
100.02227	0.7
105.07027	17.5
106.06569	0.6
107.08617	0.6
109.02882	1.6
109.10155	8.5
112.02166	0.7
119.08591	2.0
121.06524	0.4
122.09665	9.0
124.07529	0.6
126.03735	1.3
127.03930	2.4
129.10258	1.4
131.07158	0.5
133.10086	0.5
138.03751	0.9
140.05302	0.7
143.08563	0.5
145.04980	0.6
147.04420	0.8
147.11678	3.7
150.03679	1.2
152.05299	2.1
154.03160	0.7
156.09325	0.6
157.10190	0.5
161.13235	1.1
164.05292	5.5
166.06728	0.6
168.04790	4.2
171.11812	0.6
172.04402	0.7
176.05280	0.6
177.06036	0.8
177.07457	0.5
178.06841	4.4
180.04834	1.8
180.08438	0.9
188.05260	4.5
189.05988	1.0
190.06839	2.2
196.04256	0.9
198.12827	0.7
200.03821	1.3
202.06921	0.7
203.07596	6.4
204.08417	8.2
206.10043	0.5
210.05824	2.6
211.06604	1.3
212.03775	3.1
212.14348	0.6
213.15109	0.8
213.41052	0.4
214.05331	5.8
216.08421	1.7
218.09853	1.1
220.11600	0.4
223.06654	0.7
224.07401	3.8
225.08171	2.5
226.05316	8.9
226.08794	1.0
227.05850	0.6
228.06931	0.9
231.10831	1.0
232.05063	0.4
237.08313	0.5
240.06873	3.2
244.11732	0.5
246.13116	38.5
247.13409	2.1
250.09012	3.1
252.06725	2.5
262.12637	1.4
264.14270	2.0
265.11301	4.7
266.11948	1.3
267.09015	0.4
268.10040	1.3
270.08087	0.9
275.09955	0.5
290.12088	9.2
291.12323	0.6
297.61328	0.4
308.13150	13.6
309.13571	0.7
326.14212	8.6
450.51163	0.4
488.19473	100.0
489.19788	10.1
498.51141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46925	1.8
53.03941	6.5
55.01876	2.0
55.05504	3.9
57.03437	3.1
61.02922	2.3
67.05513	7.6
69.03429	10.5
69.07052	2.4
69.18391	4.2
69.18796	7.6
71.04996	4.6
73.02909	3.7
79.05488	4.3
81.03409	9.6
81.07038	4.6
83.04978	3.3
85.02906	38.0
85.06522	2.3
87.88832	1.3
91.05495	3.8
91.71469	1.3
93.07036	4.1
95.04974	2.0
95.08602	15.0
97.02901	22.7
97.06545	2.9
99.04453	22.7
103.03943	36.6
103.40746	1.5
105.07030	8.1
107.05087	1.4
107.08583	3.1
109.02892	12.0
109.06545	1.5
109.10149	7.3
113.06002	2.3
115.03966	1.8
115.05460	1.7
117.07026	3.1
119.08591	6.1
121.06493	2.2
121.10133	2.4
123.08078	4.0
123.11674	2.6
127.03918	51.2
128.04231	1.7
129.06996	2.0
131.08568	5.2
133.10175	2.2
137.05992	6.1
137.09637	13.2
139.07590	1.6
141.09143	3.8
143.08548	1.7
144.09421	1.7
145.04958	32.0
145.10153	1.5
147.04434	1.9
149.09567	2.7
151.07541	4.0
157.08633	1.4
157.10104	2.1
159.11702	38.5
161.13318	1.6
163.06036	11.2
163.07272	2.3
165.09120	100.0
169.05020	2.3
169.08669	1.3
175.07448	1.7
177.09142	5.3
179.10588	1.7
187.06050	2.2
187.09711	2.2
189.09125	3.9
203.10721	3.1
205.12271	2.5
207.10059	1.4
235.14787	1.4
237.12799	1.7
255.10033	2.8
271.08157	5.3
273.15002	1.8
337.23459	2.5
353.86261	1.6
488.21082	6.0
489.22528	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.0
55.01868	2.1
55.05508	1.8
57.03430	2.9
57.28968	0.8
57.50955	1.0
61.02929	2.5
67.05500	1.9
69.03432	13.6
71.04991	5.5
71.30775	1.1
73.02914	6.6
79.05480	1.8
81.03419	19.9
81.07059	3.4
83.04985	2.6
85.02908	65.0
87.04453	1.8
91.03983	1.3
91.05479	1.7
93.07047	1.6
95.04996	2.0
95.08624	2.8
97.02892	47.9
97.06513	1.7
99.04460	46.8
103.03944	63.3
105.07035	2.0
107.08559	1.2
108.04498	1.0
109.02883	24.9
109.06511	1.9
109.10140	1.9
115.03928	2.5
117.07004	1.3
119.08594	3.0
127.03917	100.0
128.04269	2.7
128.06271	1.0
131.08589	2.2
135.08026	1.4
137.05978	2.7
137.09575	1.2
145.04959	65.3
156.09364	1.3
157.10133	1.1
159.11719	11.5
163.06023	27.7
165.09076	5.7
169.05054	2.1
169.10109	1.0
177.09132	1.3
187.06039	4.3
189.08917	1.5
205.07071	1.5
239.90373	0.9
247.07930	1.0
253.06874	1.5
255.10054	1.4
271.08179	6.9
289.09177	4.1
307.10104	1.4
471.22122	1.6
471.29095	1.1
488.20514	1.7
489.22833	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.3
55.05511	8.1
56.96559	2.8
57.03436	2.8
57.07077	3.6
61.02922	3.6
67.05179	2.2
67.05509	20.6
69.03426	17.4
69.07070	76.2
69.33370	9.1
69.33779	3.1
71.04990	2.6
81.03416	10.2
81.07065	12.0
82.07401	2.0
83.04974	4.8
83.08622	9.0
85.02907	26.5
85.10188	2.1
91.05503	2.8
93.07030	3.4
95.04969	4.7
95.08619	8.9
96.44860	1.6
97.02881	16.8
98.97577	12.3
99.04471	2.7
100.91583	1.6
107.08576	4.2
109.02888	5.6
109.06577	2.5
109.10156	47.5
111.11729	19.2
119.08570	3.0
120.24128	1.8
123.67403	1.7
125.06006	1.7
127.03921	12.7
129.12758	47.2
133.04965	1.5
134.29367	1.5
137.09618	100.0
138.09900	2.2
145.05017	8.4
147.13799	54.3
155.10664	9.5
163.05968	2.1
165.09117	86.2
183.10185	4.9
193.15878	3.4
194.16267	2.8
201.11186	11.8
267.12646	3.2
309.13541	14.3
327.14420	10.3
373.47519	1.8
447.18979	4.5
488.21448	3.6
489.19327	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
53.03955	0.5
57.14348	0.2
59.73792	0.2
62.28932	0.2
79.05489	3.4
95.04984	0.6
98.22473	0.4
100.85309	0.2
103.05475	1.8
105.07026	100.0
106.07369	2.4
119.53972	0.2
122.09663	55.3
123.10004	1.6
169.12247	1.0
206.61479	0.2
337.19736	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	11.4
55.38040	3.7
58.55068	3.3
62.01809	3.5
67.05521	16.6
69.07066	8.9
70.32185	4.4
70.32508	9.5
79.05502	13.9
81.07050	23.5
83.04959	6.5
83.08645	4.8
85.93482	3.9
91.05482	15.7
93.07027	29.0
94.81940	4.1
95.04965	11.6
95.08610	43.1
97.06520	4.8
105.03397	6.2
105.07038	36.6
107.08581	38.8
109.06518	4.1
109.10155	12.9
111.04439	6.9
111.08125	6.1
115.68445	3.0
117.06989	6.7
119.08586	30.3
121.06486	6.6
121.10150	21.8
123.08076	10.6
123.11713	8.0
129.06979	9.8
131.08603	17.3
133.10080	19.1
135.08052	4.5
135.11693	10.6
137.06027	4.4
137.09602	4.5
139.07544	5.2
143.08545	14.7
145.10127	29.5
147.07988	5.3
147.11723	17.4
149.09584	8.6
149.13251	4.5
155.08603	8.0
156.09225	4.2
157.10155	25.2
159.11746	17.9
161.09686	10.5
161.13286	13.7
163.11192	8.5
169.10156	7.8
171.08041	4.7
171.11681	21.9
173.09625	7.6
173.13297	16.6
175.11183	6.1
183.11725	8.3
185.09631	6.5
185.13307	12.6
187.11205	6.8
187.14865	20.7
189.12775	4.9
189.16409	6.5
195.11717	6.4
197.13295	7.1
199.11189	4.8
199.14857	9.7
201.12738	7.6
201.16467	6.1
207.11757	3.6
209.13237	6.9
211.14752	7.0
213.16440	5.5
215.14371	5.2
223.14828	5.2
225.12625	3.8
225.16307	6.5
227.14412	5.5
227.17937	42.6
229.19379	6.5
239.17987	5.2
253.19646	7.8
271.20456	3.9
295.16974	10.0
314.81012	4.2
317.24567	4.2
327.23187	9.8
328.08801	4.5
342.11188	6.2
343.11270	6.4
360.11594	6.3
367.26321	100.0
368.26648	5.1
373.72968	3.8
379.65741	3.6
385.27347	48.3
407.25568	5.5
409.27469	22.5
417.24066	10.5
427.28391	12.4
428.86591	3.7
430.92490	3.9
435.25348	29.1
436.25870	4.2
445.26428	3.5
453.26382	12.3
461.97766	3.6
488.34494	5.2
489.26401	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.5
55.05509	23.3
59.05002	2.4
65.03936	4.9
67.05509	27.2
69.03419	4.1
69.07071	31.7
69.33798	6.0
69.34205	9.2
79.05474	15.2
81.07059	25.3
83.04979	22.9
83.08627	9.4
83.92184	2.0
85.06551	3.9
91.05476	28.4
93.07043	40.6
95.04980	8.7
95.08604	67.5
96.08968	3.6
97.06525	5.2
105.07028	47.1
107.08594	33.7
109.06516	7.6
109.10155	20.8
111.04430	4.7
111.08078	16.6
113.06047	3.3
115.05464	2.4
117.07032	9.2
119.08583	53.9
121.06507	5.2
121.10140	25.1
123.08077	20.8
123.11679	8.6
125.09631	4.4
128.06203	6.2
129.07001	14.3
130.07811	2.5
131.08568	31.4
133.06544	3.1
133.10129	36.4
135.08054	7.2
135.11664	12.9
137.09595	3.8
139.07524	5.2
141.07031	5.9
141.09117	5.5
142.07761	14.5
143.08563	40.0
144.09355	2.8
145.10124	54.3
147.08052	7.2
147.11685	21.5
149.09612	5.0
149.13306	5.9
151.11256	2.8
153.06984	3.7
155.08556	15.5
156.09297	11.3
157.10118	47.6
158.10759	3.8
159.08073	6.8
159.11702	42.2
161.09644	20.0
161.13277	19.5
163.11206	12.0
165.07124	2.6
167.08551	5.1
168.09401	3.0
169.10117	20.2
170.10916	6.7
171.11696	39.1
172.08818	3.1
172.12357	5.5
173.09644	9.4
173.13248	27.7
175.11134	13.5
175.14854	7.2
179.08566	4.3
181.10127	6.5
182.10878	2.5
183.11688	18.2
184.12483	4.6
185.09625	5.6
185.13228	25.5
187.11240	8.1
187.14821	22.5
189.12746	13.5
189.16357	5.7
193.10127	4.3
194.10950	4.1
195.11667	10.2
196.12434	4.0
197.09702	3.1
197.13229	15.1
198.13969	3.7
199.11160	6.9
199.14775	14.7
201.12823	8.2
201.16377	8.0
203.10713	4.4
203.14372	4.9
203.17967	4.8
207.11760	3.6
208.12582	2.8
209.13269	9.7
211.11192	2.8
211.14830	14.3
213.12787	6.8
213.16354	10.5
215.14282	12.5
217.15895	3.4
221.13345	3.8
223.11198	2.9
223.14847	7.3
224.15643	2.5
225.12727	4.5
225.16403	9.0
227.14391	10.9
227.17903	28.5
227.19948	2.4
229.15923	12.2
230.16194	3.3
231.13919	2.8
231.17584	3.6
235.14848	3.0
237.16330	6.6
239.14336	2.7
239.17909	7.2
241.15872	4.7
241.19547	19.3
243.21077	7.5
251.17958	11.1
253.19450	6.5
255.17450	6.0
255.21161	2.7
265.19498	2.5
267.17477	6.1
267.21170	4.1
268.21860	5.1
269.18982	26.2
270.19589	3.0
281.19012	4.4
282.23227	3.6
283.16998	2.5
295.20584	8.9
299.20334	2.9
309.22009	5.0
311.19989	4.0
333.22244	3.9
349.25262	2.9
351.23096	11.5
363.26898	6.1
367.26324	45.5
368.26556	5.6
369.24243	25.7
370.24307	2.7
373.24802	4.7
381.27908	15.9
382.28534	2.8
385.27441	3.6
391.26328	25.3
407.25784	3.7
409.27374	100.0
410.27637	11.5
417.24469	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23287	6.9
50.41996	6.6
55.05511	15.1
62.53484	7.0
67.05502	13.8
71.32394	14.4
77.64702	7.4
81.07066	13.2
83.04975	45.7
85.75881	6.5
91.05470	12.2
93.07046	26.7
95.08615	33.4
105.03386	12.2
105.07040	20.5
106.09540	5.8
107.08590	14.0
109.10162	16.4
111.70339	6.7
119.08589	23.7
121.10188	14.8
123.08056	13.7
129.06982	10.5
131.08588	15.9
133.10123	13.6
135.08055	9.5
142.07797	10.9
143.08562	24.2
145.10098	11.4
157.10139	21.0
159.11673	25.5
161.09610	10.7
169.10080	12.1
171.11716	22.6
179.08571	8.8
183.11674	10.9
185.13274	10.0
193.10193	11.6
197.13173	12.3
207.11639	14.6
209.13249	25.6
211.14651	7.0
223.14792	10.2
249.12712	9.1
265.15710	9.4
295.16980	23.6
313.17886	9.5
321.18469	9.0
339.19119	7.4
389.24683	11.1
391.22751	16.1
395.22186	21.5
407.25436	10.4
409.23605	15.8
417.24295	43.1
435.25357	100.0
445.48129	9.0
453.26437	99.8
459.01099	7.9
471.27292	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.6
54.23898	4.8
55.05507	23.9
57.07058	6.6
67.05514	50.8
69.03425	5.7
69.07058	23.7
71.04988	4.8
79.05506	26.6
81.07063	43.5
81.27361	4.7
83.04977	23.9
83.08611	14.6
90.60202	4.6
91.05466	30.6
93.07043	47.3
95.04974	12.9
95.08597	77.1
96.08933	7.4
97.06499	7.6
97.10169	5.5
105.07034	48.4
107.08591	45.6
108.08943	6.6
109.06528	7.1
109.10135	30.0
111.04415	14.2
111.08073	10.4
117.07002	12.5
119.08585	50.2
121.06509	15.1
121.10164	26.3
123.08064	16.0
128.06157	6.3
129.07010	10.4
130.07805	8.5
131.08551	36.8
133.10135	42.0
135.08057	7.3
135.11671	15.5
142.07765	15.4
143.08537	32.2
145.10098	42.3
147.08063	9.3
147.11707	22.6
149.09624	8.5
149.13313	6.3
155.08563	15.4
156.09341	5.7
157.10133	33.4
159.11697	43.2
160.11906	6.1
161.09647	10.7
161.13223	13.5
163.11206	10.7
163.14763	5.9
165.06895	5.1
169.10132	20.5
171.11681	33.7
173.09608	12.6
173.11884	6.0
173.13274	21.3
175.11172	6.8
181.10146	12.5
183.11659	16.2
185.09550	9.4
185.13239	18.2
187.11151	6.3
187.14749	11.1
189.12752	5.8
191.10674	8.0
195.11699	11.7
197.13219	16.1
199.14841	22.0
201.12749	7.8
201.16463	6.4
207.11751	9.5
209.13222	15.4
211.11140	4.8
211.14891	11.2
213.16331	8.1
215.14301	8.5
217.15845	6.7
221.13275	8.8
223.14642	10.0
225.12805	9.8
225.16347	8.6
227.14305	8.7
227.17969	14.7
235.14763	10.1
237.16537	6.8
239.14136	5.1
241.19659	8.0
245.15378	6.5
249.16383	6.4
255.13649	8.4
255.17424	10.5
261.16412	5.1
265.15848	7.2
277.15912	7.0
279.17331	5.1
281.15399	6.3
286.82565	5.2
295.16827	11.1
295.20334	4.8
311.20078	6.0
313.17841	5.1
367.26324	12.9
381.27899	7.1
389.24582	12.6
391.26254	16.5
407.25760	19.3
409.27463	29.2
417.24289	33.8
435.19363	6.3
435.25275	100.0
436.25427	8.7
452.31879	5.8
453.26318	30.6
470.33551	7.0
488.24792	15.1
489.24799	16.0
489.35733	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.3
55.05510	22.2
57.07065	4.3
59.04990	12.6
61.03265	2.7
64.81868	2.7
65.03894	3.8
67.05508	62.2
69.07060	13.1
69.07400	2.9
71.04966	5.3
79.05498	25.9
81.07054	36.5
82.07375	3.4
83.04992	4.5
83.08614	11.8
85.06542	42.4
91.05482	20.1
93.07037	44.0
95.04950	5.7
95.08607	72.0
95.19644	2.6
97.06536	7.9
99.04409	4.4
99.08073	9.5
105.03396	3.0
105.07023	30.0
107.08601	41.5
109.06522	9.7
109.10146	47.8
110.10479	3.8
111.08096	9.1
117.07030	9.3
119.08571	31.0
121.06484	5.0
121.10149	29.1
123.08076	12.2
123.11705	12.2
125.09673	4.8
129.07013	3.6
131.08562	23.5
133.10135	24.3
135.08099	6.1
135.11661	14.6
137.05986	6.6
137.09627	8.2
137.13295	3.4
139.07573	6.0
141.07031	3.2
141.09048	8.4
141.47484	3.2
142.07776	3.5
143.08577	15.1
145.10135	26.0
147.11694	12.0
149.09604	6.1
149.13257	9.5
155.08620	4.4
155.46950	2.8
156.09366	5.2
157.10132	17.4
159.11681	25.1
161.09695	6.1
161.13284	12.5
162.13554	4.3
162.65570	2.9
163.11147	5.1
163.14761	4.3
165.09122	3.6
169.10078	13.9
171.11681	25.0
172.12015	3.3
173.11731	8.2
173.13287	13.1
175.11172	4.9
175.14870	5.8
177.16333	4.6
182.10899	3.1
183.11707	8.5
185.09546	3.3
185.13234	14.2
187.11168	3.4
187.14871	8.8
190.70059	3.0
191.14360	5.9
195.11763	4.3
197.13260	13.2
199.14787	8.3
201.12779	6.9
203.14403	3.6
205.15825	6.0
211.14806	9.3
213.12912	5.7
213.16408	17.0
219.13687	3.4
223.14839	5.9
223.16954	6.2
231.13896	8.0
237.16473	4.0
239.14415	3.8
255.17250	3.2
257.15222	3.2
263.16348	6.4
265.19305	4.7
273.18570	5.2
283.20703	3.5
299.19995	4.1
325.21603	4.2
337.21460	3.3
337.46909	3.1
351.23184	3.6
375.26767	4.3
377.24619	5.1
379.26370	4.6
393.01288	3.4
393.28073	5.4
403.26132	7.9
411.28995	4.8
421.27197	9.9
453.29797	5.7
488.28018	16.1
488.34512	17.9
489.29742	100.0
489.35852	16.1
511.41864	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.0
67.05502	2.8
69.07094	0.8
69.19983	0.6
69.20115	1.0
69.20538	3.7
79.05497	2.0
81.07064	3.4
83.04977	2.6
91.05477	2.7
93.07044	4.1
95.04966	1.0
95.08609	7.0
97.06529	0.9
105.07033	3.3
107.08580	3.6
109.06525	1.8
109.10176	1.9
111.04448	0.6
111.08067	0.8
115.05474	0.6
117.07035	1.0
119.08607	5.0
121.06479	1.6
121.10164	1.9
123.08078	2.0
129.07002	1.2
131.08600	2.8
133.06467	0.8
133.10121	2.9
135.08023	1.3
135.11630	0.9
137.09688	0.6
139.07585	1.2
141.06993	1.4
143.08577	3.0
145.06500	1.2
145.10104	2.8
147.08067	2.3
147.11705	1.4
149.09676	0.6
153.07031	0.6
155.08582	2.4
156.09325	0.9
157.10149	2.7
159.08067	1.3
159.11705	2.0
161.09592	4.8
161.13232	1.4
163.11217	1.4
167.08508	0.7
169.10181	2.6
170.10887	0.9
171.08028	1.9
171.11652	2.8
172.08818	0.8
173.09683	1.0
175.11215	1.9
179.08594	1.0
181.10225	1.0
183.07983	0.8
183.11668	3.6
185.09653	1.6
185.13190	3.0
187.11256	1.7
189.12799	1.0
193.10147	1.2
194.10857	1.1
195.11691	2.1
196.08824	0.8
196.12602	1.0
197.09659	1.5
197.13306	3.0
198.10439	0.9
199.11174	3.7
201.12747	2.9
207.11694	1.9
209.09781	0.7
209.13246	2.3
210.10445	1.2
211.11235	4.9
211.14845	1.3
212.11952	1.2
213.12762	5.6
221.13219	0.9
223.11180	1.9
223.14792	1.4
225.12753	4.0
225.16309	1.4
227.14326	3.7
235.11040	0.6
235.14806	1.3
239.14384	3.8
239.17982	2.2
249.16402	1.2
251.14160	0.9
251.18005	0.9
253.15932	1.4
263.14279	1.0
265.15857	1.7
266.16666	1.3
267.17432	7.9
268.17908	1.0
277.12540	0.7
277.15610	0.7
291.17068	0.7
293.18994	2.3
321.18448	0.9
336.84256	0.8
361.25244	2.5
365.24942	0.7
371.23749	0.7
379.26462	0.7
383.25723	0.8
389.24707	7.8
407.25806	100.0
408.26196	8.2
417.24316	1.0
425.26779	1.8
435.25412	1.2
443.54108	0.7
488.34207	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78611	1.8
52.37776	1.7
53.03947	3.0
55.01863	1.9
55.05511	16.7
57.07080	3.0
59.05005	10.3
67.05505	22.2
69.03427	2.7
69.07069	8.6
69.09702	2.5
69.10104	14.2
71.04993	2.2
79.05493	11.5
81.07059	18.9
83.04984	3.2
83.08614	7.0
85.06544	34.8
91.05492	12.0
92.05812	1.9
93.07047	16.9
95.04977	8.6
95.08607	39.1
97.06525	3.5
97.10189	2.5
99.04446	2.4
99.08110	2.5
105.03399	4.2
105.07026	18.7
107.08588	21.1
109.06524	6.6
109.10150	18.3
111.08078	5.0
117.07011	5.3
119.08577	21.0
120.08997	2.3
121.06487	2.2
121.10138	19.0
123.08034	10.4
123.11714	5.2
125.06011	2.1
125.09699	1.9
127.07578	2.5
131.08595	12.5
131.63188	1.9
133.10126	14.3
134.10483	1.8
135.08063	4.3
135.11708	8.0
137.05966	3.4
137.09637	3.6
139.07497	4.3
141.06949	3.0
141.09128	6.0
142.07742	3.0
143.08641	8.7
145.10120	16.9
147.08090	2.7
147.11714	8.8
149.13292	3.9
155.08582	4.3
156.09380	3.7
157.10127	16.0
159.11705	10.6
161.09624	3.3
161.13283	4.9
163.11191	2.2
165.09088	2.1
168.09253	1.8
169.10143	6.4
171.11699	16.0
172.12352	2.0
173.09607	3.6
173.13297	7.2
174.13573	1.9
175.11119	2.6
175.14838	2.8
181.10115	4.4
183.11685	6.5
185.13278	8.5
187.14862	5.5
189.12787	2.4
197.13242	13.7
199.11234	2.8
199.14828	3.8
201.12697	2.3
201.16454	2.8
205.12361	3.0
205.15912	3.9
209.13297	3.6
211.14731	8.2
213.12891	2.9
213.16371	10.5
215.14297	3.7
217.12247	3.6
217.15863	2.2
221.15317	3.5
225.16498	2.7
227.14406	2.1
229.15901	2.4
231.13869	4.3
233.15311	4.6
235.14807	2.6
237.16351	2.5
239.17690	2.3
254.16457	2.1
257.15366	4.3
263.16537	3.2
281.19086	2.3
299.20200	3.9
351.23038	4.1
379.26569	2.2
393.27884	3.1
403.26111	4.5
411.28662	3.9
421.27304	6.3
424.33084	2.5
425.30237	3.0
439.28494	2.5
453.30130	5.7
470.32971	1.9
471.31009	3.4
488.28314	6.5
488.34567	3.1
489.29715	100.0
489.35110	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.05507	4.9
67.05527	2.8
69.03452	0.5
69.07062	1.1
71.04984	0.5
75.93719	0.5
79.05486	3.1
81.07056	7.6
83.04980	100.0
84.05301	1.3
85.06549	1.4
91.05490	3.3
93.07024	3.3
94.34006	0.5
95.08623	2.9
99.04457	2.0
99.08086	3.4
100.52406	0.6
101.06010	0.7
105.07024	4.8
107.08604	4.4
109.06506	3.7
109.10153	1.3
111.08013	0.7
117.07021	1.5
119.08588	5.7
121.10143	2.3
123.08068	0.5
125.09595	0.6
127.07555	79.8
128.07901	2.0
129.07027	1.5
131.08569	3.3
133.10136	3.7
135.07994	0.7
135.11690	2.1
141.06967	0.6
142.07680	0.9
143.08575	2.3
145.10118	4.0
147.08063	1.4
147.11656	3.7
149.09567	0.6
155.08528	1.0
156.09366	1.2
157.10106	2.0
159.11688	4.5
161.09610	0.6
161.13306	1.6
163.11157	0.9
169.10056	0.9
170.10782	0.6
171.11691	1.5
173.13239	1.7
183.11623	0.7
185.13252	0.8
185.81436	0.6
187.14897	0.7
189.12668	1.3
197.13211	0.6
199.14786	0.6
207.13837	0.7
219.13744	0.7
233.15318	1.6
247.17297	0.6
252.56221	0.5
296.73489	0.5
302.71121	0.6
477.57709	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	15.1
55.05497	22.0
58.14673	7.2
63.21999	6.3
67.05508	75.2
68.05838	15.3
69.07077	10.8
69.14027	60.2
73.17070	5.7
75.65915	7.0
79.05495	100.0
80.05820	24.4
81.03425	15.0
81.07057	56.5
82.07388	14.6
83.04967	19.1
83.08633	15.4
84.05357	7.3
91.05485	74.6
92.05813	13.3
93.07045	79.8
94.07380	23.2
95.04974	37.7
95.08624	41.1
96.05282	10.8
97.06542	10.2
105.07031	56.4
106.07352	14.8
107.08596	26.6
108.08938	8.7
109.06534	13.4
119.08572	27.0
120.08928	14.0
121.06535	13.9
121.10133	11.4
123.08085	8.0
123.11668	7.5
129.07008	26.5
130.07306	10.3
131.08571	7.5
133.10104	15.3
143.08577	14.6
143.60822	6.4
145.10144	32.1
147.11697	26.1
148.12051	20.4
159.11659	7.4
161.13289	18.6
162.13655	10.7
171.11652	40.3
172.12030	18.0
183.11649	8.9
189.12671	14.6
193.10231	9.3
197.13321	14.2
207.13773	18.3
208.14185	18.8
209.13184	7.9
211.14786	11.9
223.14891	9.9
241.58286	6.2
251.17902	12.7
290.99680	6.7
377.24603	33.5
391.26337	27.0
417.27856	8.8
435.28909	14.2
488.31116	36.5
489.26059	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	15.8
60.93822	8.4
67.05502	36.0
69.07059	17.5
69.22919	38.0
69.23338	25.9
79.05488	22.7
81.07049	64.5
83.08656	9.0
89.06012	7.1
91.05482	12.6
93.07050	56.5
95.08605	100.0
97.06549	11.1
102.16068	7.5
103.06629	8.4
105.07003	41.8
107.08590	74.9
109.10143	68.7
110.60857	7.7
111.08102	10.8
117.07023	9.1
119.08584	54.2
121.10127	68.8
123.08039	13.4
123.11687	34.5
131.08566	13.2
133.10130	50.4
135.08060	8.9
135.11684	36.4
143.08583	7.8
145.10123	24.2
147.11681	32.3
149.13258	19.9
157.10100	11.0
159.11670	25.6
161.09621	10.9
161.13232	71.4
163.14870	9.8
173.13284	10.6
175.11243	13.0
175.14815	16.7
177.16432	9.2
179.10571	8.7
181.12210	10.0
189.16388	16.0
191.17882	8.8
203.14314	10.5
217.15916	16.3
221.15283	23.3
223.16980	10.3
235.16954	54.0
247.16989	18.0
249.18472	16.4
343.26389	15.7
425.33932	16.3
435.32562	28.8
453.33676	30.8
454.33612	15.9
471.34924	43.1
488.22122	47.3
488.36002	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73391	14.9
51.93769	13.6
56.89574	12.8
67.05501	22.3
69.38552	100.0
79.05499	29.4
81.07050	34.1
93.07062	17.2
93.32206	15.7
95.08605	41.4
105.07047	34.9
107.08588	34.8
109.10159	26.6
119.08620	23.9
145.10158	24.2
320.01224	16.0
488.32739	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31980	8.1
66.36152	10.1
67.05502	23.4
69.04827	100.0
69.07081	28.0
79.05511	15.1
81.07049	45.9
91.05508	18.8
93.07055	20.9
95.08624	33.7
98.22607	13.8
98.95063	10.7
105.07032	32.8
107.08627	44.6
109.10197	33.5
119.08589	24.9
121.10155	45.0
123.11742	18.4
123.71331	9.0
126.28543	8.9
133.10144	17.0
135.11703	31.8
145.10091	9.2
146.51884	8.9
147.11737	13.7
149.13303	13.7
159.11723	10.9
161.13277	15.6
171.69299	10.6
173.13342	10.2
215.17725	10.7
215.19662	10.9
242.76221	9.9
243.48605	11.7
248.61891	9.1
324.96991	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01870	1.3
55.05512	2.7
57.03427	1.8
61.02910	0.8
65.03956	0.8
67.05505	24.0
69.03431	11.8
69.07059	1.2
69.49557	1.8
71.04983	1.5
78.30801	0.4
79.05483	3.1
81.03419	7.3
81.07057	11.5
83.04980	1.2
85.02902	6.9
91.05485	2.7
93.07047	3.7
95.04974	4.8
95.08610	8.1
97.02889	7.6
98.97581	1.1
99.04465	2.8
107.08576	3.0
109.02893	4.6
109.06522	2.8
109.10154	47.5
110.10491	1.3
117.07020	0.6
119.08572	3.9
121.10160	1.2
125.05978	1.9
127.03912	9.3
129.39391	0.5
135.08040	1.0
137.09613	100.0
138.09952	4.2
145.04918	1.8
147.07941	0.7
155.10664	6.1
163.03899	1.3
165.09116	92.6
166.09451	3.4
175.03961	0.5
183.10172	7.8
200.60126	0.4
201.11227	10.3
201.13025	0.9
249.43217	0.5
257.10941	0.6
257.13553	0.6
309.10043	0.7
309.13351	8.1
310.13672	0.6
324.55902	0.5
327.14410	8.4
327.17892	1.2
357.15347	0.8
419.15073	1.9
471.18393	0.7
489.19559	13.8
490.19937	1.6
501.64841	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62296	1.0
53.03932	1.7
55.01852	1.3
57.03449	1.8
65.03944	1.6
67.05511	2.9
69.03429	2.5
69.07111	1.2
69.82042	4.5
69.82413	2.5
71.05006	1.4
73.02927	6.7
74.07136	1.1
78.04723	3.6
79.05492	5.4
81.07042	1.4
85.02908	2.4
91.05479	9.4
93.07069	2.3
95.04993	2.6
97.02882	1.2
99.04478	2.3
103.05484	4.8
105.06458	1.1
105.07007	6.0
106.04182	1.9
107.04983	8.0
107.08599	2.4
108.05792	1.0
109.06532	1.6
109.10193	1.9
111.04475	2.1
115.05486	5.0
117.07003	7.3
119.04953	3.6
119.08637	2.4
121.06493	5.5
122.03651	1.4
123.04446	8.7
123.08071	5.1
124.05243	3.6
128.06258	2.4
129.07016	4.0
131.04919	5.7
131.08574	3.1
132.05743	1.9
133.06494	3.3
135.08095	2.9
137.05975	10.6
141.06990	3.6
145.06496	9.2
146.07230	1.8
147.04419	2.3
147.08075	2.8
149.06020	2.5
149.09621	2.1
151.03911	2.1
151.07550	29.8
152.04724	2.8
153.05495	1.3
155.06055	2.2
155.08597	2.7
157.06599	2.9
159.08087	4.3
160.05241	2.7
161.05962	7.2
161.09616	1.9
162.06740	1.2
163.07562	5.3
165.09047	6.1
165.26599	1.1
167.07051	100.0
168.06012	1.5
168.07439	3.7
169.06555	2.2
171.08078	2.9
172.05225	1.1
172.08752	1.4
173.06024	8.8
174.06760	3.1
175.07559	19.0
176.04721	2.1
176.07887	1.6
177.05481	4.0
177.09117	9.2
179.08484	1.3
181.04993	1.9
181.08627	4.7
183.06645	1.6
183.08156	3.7
185.06073	1.3
187.07568	7.0
188.04825	1.3
189.05449	3.8
189.07466	1.2
189.09071	7.4
190.06192	3.0
191.07068	11.3
191.10703	2.4
193.08624	8.7
195.08354	2.1
195.10161	24.9
198.96838	1.4
199.07547	1.8
201.09131	5.8
203.06972	3.9
203.08649	1.4
205.08582	12.4
207.06514	8.7
207.10168	2.5
209.08104	4.7
211.07487	1.9
213.09096	2.5
215.07047	2.1
215.10652	1.8
217.06718	1.5
217.08647	5.0
218.07213	1.5
219.08195	2.0
219.10120	8.2
220.08772	1.6
221.08096	4.7
223.07553	2.9
223.09570	2.4
229.08562	1.8
231.08110	1.9
231.10217	2.2
232.08858	1.7
233.07924	2.9
233.11763	3.5
235.07558	2.0
235.09682	3.7
239.10683	1.5
243.10197	3.1
245.11833	1.4
246.06763	1.5
247.07507	2.2
248.08270	2.3
249.09093	2.1
251.07040	2.3
253.08554	1.9
257.09552	1.9
260.08395	2.1
261.08939	2.7
261.11453	5.6
262.09949	1.8
263.07028	2.7
263.10251	1.8
264.07675	1.5
265.08368	1.8
274.09879	1.4
275.07275	1.4
275.10663	2.9
275.47372	1.1
276.08121	2.0
277.08682	3.1
278.09360	2.5
279.10019	2.5
281.11771	1.7
283.09726	1.8
286.09836	2.0
287.10703	1.8
290.09348	3.0
291.10046	1.8
292.07739	1.4
292.10849	3.2
293.08212	2.6
295.09537	1.8
299.13205	1.5
303.10129	2.7
304.10992	1.5
305.11572	2.0
307.09647	3.2
307.13159	1.4
308.10394	1.4
309.11447	3.6
311.09186	2.5
319.09637	1.9
319.13257	1.7
320.10397	1.3
321.11160	5.9
323.09158	1.6
323.12723	2.5
325.10757	1.3
327.12332	4.6
330.08984	1.1
332.10706	1.4
333.11270	2.9
334.11838	1.6
335.12756	5.3
337.10760	2.9
337.14426	1.8
339.12283	4.4
341.13873	8.0
343.15359	1.7
347.12637	2.7
350.11322	1.7
351.12170	5.3
352.12750	1.6
353.13776	7.8
354.14594	1.5
355.15448	1.5
365.13882	9.1
366.14697	1.4
367.15356	3.5
369.04343	1.5
371.14944	7.9
373.16458	4.6
377.13708	2.6
379.15585	2.5
381.13025	1.6
383.14841	3.5
385.16470	11.0
387.17850	3.7
393.16873	1.6
395.14975	2.8
397.16379	13.0
409.16531	2.1
411.17914	2.9
415.17566	2.7
421.16412	1.7
427.17657	3.6
435.17969	2.6
453.19125	4.8
471.19867	1.8
489.21194	4.1
514.99591	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74889	0.8
53.50900	0.7
85.02900	2.4
86.09695	2.9
109.10129	1.0
117.07028	2.8
129.05524	0.8
137.05974	0.9
137.09578	1.0
141.89531	0.7
143.07292	1.4
144.08083	100.0
145.08400	3.6
145.58153	0.8
147.04355	1.3
161.10747	13.8
165.05560	0.9
165.09085	2.0
229.00952	0.9
327.17728	1.4
328.81934	0.9
356.39404	0.9
375.37372	0.8
489.16562	3.3
489.22702	7.0
490.23724	0.9
502.23636	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2272
Annotation	Fruticolide (sesquiterpene dimer)
Peak:m/z	Relative Intensity
53.03947	2.2
55.01875	2.1
55.05511	2.8
65.03923	1.5
67.05508	7.6
69.03419	3.0
71.04982	1.6
72.63953	0.9
79.05487	5.2
81.03427	1.2
81.07070	5.4
83.04967	4.9
85.30315	1.2
91.05476	11.4
93.07027	8.1
95.04983	6.0
95.08613	4.9
97.02904	2.9
98.23364	2.2
103.05453	1.0
105.07018	7.8
107.04945	1.7
107.08593	3.4
109.02882	1.8
109.06513	1.9
109.10083	1.5
111.04443	2.6
111.08067	2.7
115.05451	1.8
116.06198	1.0
117.07036	4.2
118.67529	1.0
119.04907	1.1
119.08559	6.2
121.06532	6.1
121.10163	1.6
123.08120	3.1
128.06233	4.7
129.06995	5.5
130.07796	1.5
131.04959	1.4
131.08578	4.4
133.06505	2.1
133.10172	3.3
135.08076	5.0
137.05997	2.0
141.07002	4.0
142.07756	2.8
143.08586	5.5
145.06520	3.1
145.10121	4.3
146.07272	1.9
147.08067	10.3
147.11639	1.2
151.74948	1.1
153.07069	3.2
154.07791	4.1
155.08530	7.3
156.09334	2.0
157.10138	4.7
159.08043	9.4
159.11740	1.4
161.05882	1.2
161.09634	3.8
163.07542	1.5
165.07028	4.4
165.09145	1.6
166.07819	1.3
167.08571	5.0
169.06541	1.8
169.10136	6.4
171.08104	4.8
171.11674	1.8
172.08800	2.4
173.05951	1.2
173.09605	4.9
175.07512	6.5
177.09143	1.8
178.07816	4.1
179.08533	7.5
180.09349	3.5
181.06497	2.0
181.10139	3.9
182.07281	1.5
182.10887	1.1
183.08093	2.6
183.11719	2.7
185.09669	4.7
187.07590	2.8
187.11206	4.1
189.09103	6.8
191.08630	2.9
192.09285	5.5
193.10159	8.9
194.10884	5.5
195.08093	4.8
195.11705	6.9
196.08833	1.8
197.09596	7.8
197.13354	1.4
199.07562	3.9
201.09209	2.4
202.07751	1.6
203.08626	1.4
205.10187	2.9
206.07272	1.1
206.10846	3.0
207.08206	1.7
207.11716	9.3
208.12419	3.6
209.09702	4.8
209.13286	5.8
210.10393	2.8
210.13840	1.1
211.07655	1.2
211.11191	4.0
211.14743	1.2
213.09119	4.0
213.12636	1.7
215.08638	3.0
215.10698	4.4
216.09480	1.4
217.08440	1.7
217.10188	3.0
218.10878	1.6
219.08144	2.5
219.11798	4.2
220.08864	1.5
220.12415	1.9
221.09607	5.3
221.13260	3.4
222.10400	2.2
223.11176	3.5
224.11845	1.2
225.09213	1.4
225.12798	4.5
227.08687	1.1
227.10732	3.2
229.10205	2.9
230.10808	2.5
231.08060	1.2
231.11737	4.6
232.08812	3.2
232.12556	1.7
233.09601	3.4
233.13271	2.5
234.10385	2.6
235.11179	6.5
236.11931	3.7
237.12790	3.7
239.10678	3.4
241.10135	1.7
242.10997	1.4
243.11702	3.1
244.12463	3.8
245.09557	3.0
245.13297	4.4
246.10501	2.5
246.13922	1.5
247.11192	5.4
247.15009	1.1
248.11949	2.0
249.09001	1.5
249.12778	3.8
250.09882	1.4
251.10692	2.6
251.14410	1.8
253.12228	4.2
254.10695	2.4
254.13094	3.9
255.11693	1.8
255.13985	1.7
256.12473	2.6
257.13351	2.1
258.10339	1.6
258.14111	2.5
259.11151	3.8
259.14816	4.2
260.11923	2.3
261.12823	8.4
263.10867	2.1
263.14255	1.8
265.12326	2.0
267.13858	4.7
268.12573	1.9
269.09528	2.3
269.13132	2.3
270.13962	1.8
271.11209	2.8
271.14624	1.9
272.12024	2.6
272.15579	1.8
273.12656	2.8
273.16266	1.1
274.13403	1.5
275.10669	1.6
275.14236	2.0
277.12314	2.2
277.15930	1.1
279.14001	1.5
283.14822	2.2
284.12143	2.3
285.12732	3.8
285.16394	3.0
286.13504	2.3
287.10925	1.9
287.14352	3.9
289.12286	2.3
289.15900	1.3
290.13022	1.4
291.13977	1.9
293.12317	1.3
297.12750	3.3
297.16144	1.4
298.13599	2.5
298.16980	1.2
299.14252	2.6
299.17709	1.1
300.15012	2.0
301.12387	1.4
301.15881	3.3
302.16583	2.1
303.13794	2.7
305.12091	1.8
305.15463	1.6
307.14429	1.6
311.14301	4.5
311.17789	1.2
312.15036	2.8
313.12244	2.1
313.15787	4.0
315.13828	3.2
315.17401	3.3
316.14465	1.6
323.14044	1.6
327.13818	1.9
327.17380	1.7
329.15326	2.5
330.16071	2.0
331.13422	1.4
331.16904	3.5
331.49908	1.2
333.14981	1.5
335.14221	1.7
336.15128	1.5
339.13739	1.5
339.17551	1.5
341.15485	2.0
343.16882	4.7
345.18451	1.5
347.16403	2.2
348.17178	4.3
351.17383	2.0
353.15421	1.9
355.16782	1.6
357.14883	1.8
359.16309	1.7
361.18091	4.4
362.18564	1.2
363.13358	1.8
365.19070	1.2
367.16919	2.1
371.16299	1.5
372.17056	2.2
375.15750	1.8
378.16058	1.2
381.18491	1.4
382.19244	1.3
383.16144	1.8
383.20471	1.8
390.18265	1.2
393.18503	2.2
397.21539	2.8
401.21494	1.4
407.20013	4.1
411.19604	4.5
425.21173	10.8
426.21225	1.5
429.20688	6.9
435.19485	5.1
442.21436	1.5
443.22226	17.7
445.24008	6.1
453.20633	15.3
454.21216	1.5
460.22473	4.4
461.23117	8.6
471.21701	41.8
472.21945	5.2
489.22690	100.0
490.23184	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90602	0.7
53.03937	1.0
55.01853	0.8
55.05490	2.6
58.01417	0.8
65.03927	1.3
67.05506	6.5
69.03433	3.1
69.07051	1.1
69.77086	1.5
69.77474	1.5
71.01332	0.7
73.32715	0.6
79.05124	0.6
79.05491	5.9
81.07066	5.7
83.04974	1.5
85.02914	3.6
91.05479	9.9
93.07056	7.4
95.04954	2.6
95.08599	6.8
97.02881	3.6
97.06532	1.5
103.05481	0.8
105.03378	0.7
105.07032	9.7
107.04943	1.6
107.08589	5.2
109.06488	2.1
109.10139	2.1
111.04422	1.6
113.02356	7.2
115.05451	2.7
117.07016	5.3
119.04878	0.8
119.08582	6.2
121.06487	2.9
121.10168	3.3
123.08033	1.7
125.05987	1.3
128.06204	5.5
129.06996	6.3
130.07742	1.6
131.08568	6.2
133.06526	4.0
133.10141	5.3
135.08025	2.0
135.11694	1.3
137.05965	1.5
138.69034	0.6
139.03778	0.7
139.07431	0.7
139.45190	0.6
141.06999	5.3
142.07806	5.0
143.08560	9.1
145.06482	2.1
145.10114	6.1
147.08037	2.1
147.11693	1.0
149.09511	0.7
151.07530	1.4
153.05486	1.5
153.06950	2.6
154.07742	2.7
155.08551	20.5
156.09355	8.0
157.06439	1.1
157.10123	8.8
159.08012	3.0
159.11674	3.3
161.05978	0.8
161.09613	1.8
161.13271	1.3
163.07532	1.1
163.11154	1.3
165.07042	3.1
166.07680	1.6
167.08583	4.3
168.09337	1.8
169.06509	0.8
169.10129	13.6
170.10860	1.3
171.08041	1.6
171.11694	8.5
173.09604	1.9
173.13170	1.6
175.07506	1.4
177.05420	0.8
178.07756	1.8
179.08553	7.2
180.09315	2.7
181.10110	7.1
182.10832	1.3
183.08012	2.1
183.10176	0.6
183.11626	3.6
184.08769	0.9
185.09650	2.0
185.13268	1.4
187.07448	1.6
187.11122	1.3
189.09039	1.2
191.08598	2.2
192.09383	3.6
193.10135	7.1
194.10916	3.6
195.08057	2.0
195.11676	5.7
196.08759	0.8
196.12411	1.2
197.09613	4.9
197.13260	2.2
199.07501	0.7
199.11169	2.7
201.09125	2.4
202.07736	1.7
203.06888	1.0
203.08551	2.1
203.10654	2.0
204.09308	2.3
205.10136	6.6
206.10939	4.8
207.08081	1.4
207.11699	14.0
208.12450	2.2
209.09651	1.8
209.13239	8.3
211.07516	1.1
211.11186	2.0
211.14851	2.0
213.09149	1.4
214.09715	0.7
215.08571	2.0
215.10672	4.4
216.09250	1.8
217.10138	3.2
217.12222	2.6
218.10902	3.0
219.08257	0.7
219.11664	7.0
220.12445	3.3
221.09758	0.9
221.13274	8.7
222.10443	1.0
222.13872	1.1
223.11108	1.7
223.14828	2.3
224.11984	1.2
225.09169	1.9
225.12714	1.7
227.10620	1.9
227.12798	1.7
228.09305	1.2
229.10129	2.8
229.12238	1.4
230.10876	2.5
231.11736	4.6
232.12408	3.5
233.07875	1.0
233.13167	6.0
234.10358	0.9
234.14015	4.1
235.11131	2.3
235.14778	2.3
236.11932	0.7
236.15471	0.8
237.09088	1.1
237.12723	1.6
239.10660	1.8
239.14270	4.3
241.10243	0.7
241.12273	1.2
242.10776	2.0
243.11743	4.7
244.12540	2.5
245.09624	0.8
245.13278	5.8
246.10435	0.9
246.13902	1.7
247.11174	2.0
247.14812	3.7
248.12001	1.1
248.15532	1.1
249.12801	2.0
249.16348	6.3
250.13484	0.8
251.10614	1.5
252.11510	2.4
253.08293	0.9
253.12230	3.5
254.13086	1.1
255.11639	1.1
255.13873	9.6
256.12427	1.7
257.13208	2.9
258.14072	3.7
259.11267	1.7
259.14798	6.2
260.11938	0.8
260.15607	1.8
261.12790	1.5
261.16284	3.4
262.09814	0.6
262.13589	0.8
262.16919	0.8
263.10587	1.0
263.14307	0.8
263.17966	1.2
264.11331	0.9
265.12296	1.9
267.13861	12.6
268.12112	1.2
269.13193	1.7
270.13937	1.5
271.14731	2.7
272.12167	0.7
272.15543	2.2
273.13242	1.1
273.16354	5.9
274.17053	2.3
275.14230	1.9
275.17883	1.7
276.11597	0.7
277.12338	1.4
277.15854	1.0
279.13763	1.8
283.11057	1.0
283.14709	1.7
284.12131	0.7
284.15491	1.5
285.16257	1.5
286.16873	0.9
287.14322	2.2
287.17892	2.6
289.12283	1.1
289.16019	1.4
289.19498	7.5
291.14249	0.9
291.17520	2.2
293.18600	0.8
297.16278	0.9
299.05603	0.8
299.14438	1.3
299.17987	1.7
301.15894	1.2
301.19287	1.4
303.13885	1.5
303.21121	2.3
304.14542	1.2
305.15302	2.6
311.14514	0.8
313.15958	0.8
313.19507	1.5
315.13968	1.3
315.17453	1.9
317.15356	1.2
318.16077	1.6
319.16946	6.1
320.17529	1.1
327.17502	0.7
329.18930	1.1
331.16830	1.9
331.20602	3.2
333.18576	2.3
334.19244	1.0
337.18005	7.1
343.16971	1.0
345.18570	1.8
346.19113	1.1
347.20081	4.4
348.20743	3.3
349.21603	90.1
350.09760	0.8
350.21982	9.5
357.18549	1.0
358.19492	1.3
359.19980	4.1
361.17984	1.1
364.18359	0.8
375.19577	2.6
376.20139	1.6
377.21158	0.9
397.21890	1.0
407.20105	1.0
425.21179	3.8
427.22687	2.1
443.22162	8.8
445.23569	1.8
448.68414	0.7
453.20587	3.2
461.23297	3.5
471.21625	16.1
472.22211	2.1
482.48621	0.7
489.22656	100.0
490.23117	9.6
511.66403	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2272
Annotation	Fruticolide (sesquiterpene dimer)
Peak:m/z	Relative Intensity
53.03941	3.8
55.01851	2.6
55.05516	8.4
57.03437	1.4
65.03925	2.0
67.05506	9.1
69.03407	3.5
79.05495	9.9
81.03413	2.0
81.07066	8.6
83.04981	24.3
85.02924	1.5
85.25963	1.1
91.05474	18.8
93.07046	14.0
95.04979	5.8
95.08614	7.9
98.23367	3.2
103.05439	2.8
105.07039	11.6
107.04949	1.8
107.08575	5.2
109.06515	6.8
109.10156	2.4
111.04443	13.1
111.08074	3.1
115.05478	2.9
116.06236	1.8
117.07016	4.5
119.08583	8.5
121.06548	6.4
121.10152	7.2
123.08084	1.9
128.06209	4.5
129.07014	4.9
130.07813	1.2
131.04926	1.4
131.08577	7.7
133.06483	3.8
133.10132	4.3
135.08031	5.8
135.11678	1.1
137.05974	21.4
137.09563	1.9
139.07568	2.9
141.06973	3.4
142.07779	2.8
143.08571	7.7
144.05728	1.4
145.06506	6.0
145.10107	6.8
146.07246	1.7
147.04390	4.3
147.08069	6.8
147.11688	2.3
149.06009	3.4
149.09612	41.0
153.07011	2.5
155.08557	6.8
156.09393	1.7
157.06488	1.6
157.10135	5.3
158.07285	3.1
158.95930	1.4
159.08035	7.9
159.11667	1.7
160.08885	2.0
161.05991	2.8
161.09596	8.0
163.07552	3.9
163.11150	1.9
165.07031	3.2
166.07793	1.4
167.08572	3.5
169.06563	1.2
169.10178	2.3
170.07335	1.4
171.08054	9.4
171.11685	4.0
172.08786	1.8
173.05936	2.5
173.09613	10.5
175.07545	6.4
175.11183	3.6
179.08582	3.3
181.06421	1.9
181.10135	3.3
183.08046	3.3
183.11691	2.7
185.05933	1.4
185.09645	8.0
187.07619	2.9
187.11142	2.3
188.08304	1.9
189.09099	13.8
189.12772	2.8
191.10649	1.6
191.71568	1.1
192.09358	1.3
193.10139	3.4
195.08070	4.6
195.11702	3.5
196.08702	1.6
197.09656	3.7
199.07503	3.1
199.11217	4.3
201.09126	4.4
203.10683	1.5
204.09352	1.7
205.10185	2.6
207.11716	1.7
208.08699	1.6
209.09613	4.6
209.11731	3.7
209.13452	2.0
210.10362	2.8
211.07617	2.3
211.11122	3.9
213.09070	4.1
213.12675	6.4
215.10669	1.9
215.14153	1.6
217.10188	1.6
217.12260	1.7
219.11705	2.4
221.09628	2.5
221.13202	2.9
222.10381	2.8
223.11197	5.9
225.09096	2.2
225.12747	3.0
226.09760	1.4
227.10753	1.9
229.04643	1.7
230.10808	1.4
231.09958	11.0
231.13853	3.9
232.08711	2.0
233.09656	2.7
233.13159	2.8
234.10268	2.0
235.11137	3.0
236.11880	1.3
237.09109	1.9
237.12656	3.7
239.10690	1.8
239.14197	1.7
241.12296	3.8
242.11028	1.4
243.11848	3.1
244.12323	2.0
245.09564	2.1
245.13376	2.2
246.10291	3.0
247.11118	3.7
248.12068	1.5
249.12756	2.1
251.10683	2.5
253.12286	3.2
255.13942	2.4
257.09412	1.6
258.14206	2.3
259.11148	3.0
259.15134	2.3
260.11859	2.2
261.08972	1.5
261.12753	4.8
263.10645	1.6
263.14197	2.5
265.12051	1.7
271.11057	2.8
271.14844	2.0
272.11908	1.6
273.09311	1.7
273.12717	3.3
273.16385	1.3
274.13489	1.5
275.10733	3.2
275.14282	3.6
276.15207	1.6
277.12189	2.0
283.14709	1.9
284.15686	1.9
285.16281	2.4
286.17105	1.5
287.10846	1.5
287.14282	5.2
287.17740	2.1
288.15024	2.4
289.12369	1.9
289.15802	2.2
294.14243	1.7
295.11331	1.6
298.17136	1.7
301.12292	2.3
301.15790	4.7
302.16565	2.9
303.17319	2.2
311.14230	3.3
312.14920	2.6
313.15710	2.5
315.17453	2.8
325.16006	1.5
326.16614	2.2
329.15305	3.0
331.13205	1.7
331.17075	1.7
333.18564	1.8
335.14169	1.8
343.16882	2.9
357.14847	1.6
361.18140	2.3
379.19183	2.8
384.79611	1.4
392.17865	1.3
397.21585	5.3
407.20135	2.4
411.19608	1.9
415.22516	4.2
425.21201	6.5
429.20978	2.9
435.19528	2.5
443.22180	16.2
444.22516	2.3
453.20447	8.0
461.23352	3.5
471.21652	22.5
471.27710	2.3
472.22083	2.1
489.22626	100.0
489.28452	7.5
490.23120	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2974
Annotation	Trp Lys Arg
Peak:m/z	Relative Intensity
55.05501	0.7
57.03449	0.2
65.03949	0.3
67.05507	2.7
69.03433	0.2
69.07060	1.0
71.04986	0.2
71.31475	0.3
79.05489	1.7
81.07059	2.0
83.08620	0.6
85.06509	0.3
91.05476	1.2
93.07064	1.6
94.07304	0.2
95.04980	0.5
95.08594	2.5
97.10186	0.3
105.03413	0.6
105.07014	1.6
107.08606	1.9
109.10152	2.7
111.08099	0.4
113.09625	0.6
115.39094	0.2
117.07021	0.3
119.08569	1.7
121.06483	0.3
121.10169	1.5
123.08030	0.4
123.11726	0.4
125.09654	0.4
129.34026	0.3
131.08546	0.8
133.10167	1.1
135.11664	0.6
136.55360	0.2
137.09601	0.3
142.07745	0.3
145.10141	0.8
147.11688	0.6
149.09631	0.3
149.13235	0.5
157.10115	0.5
159.11703	1.0
161.13280	0.8
163.11192	0.3
169.10144	0.3
173.11787	0.3
173.13237	0.5
175.11174	0.3
175.14844	0.5
177.27176	0.2
185.13266	0.3
193.75336	0.2
201.16316	0.3
235.16855	0.2
256.26630	0.3
309.61639	0.2
315.23285	0.3
471.35532	0.2
489.29727	100.0
490.30054	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.05509	5.1
57.03443	1.5
57.07072	2.1
64.20536	1.1
67.05497	11.3
69.03436	4.5
69.07062	7.1
69.63722	4.7
71.04968	1.4
79.05485	8.7
81.07059	24.5
83.01364	1.9
83.04987	4.5
83.08625	2.6
85.02897	2.9
91.05476	10.4
93.07043	15.8
95.04970	3.1
95.08603	21.3
97.02888	1.8
97.06539	2.5
97.10160	1.9
99.08141	1.4
101.05946	1.3
105.07022	10.6
107.04948	1.3
107.08586	12.2
109.06533	3.3
109.10163	18.6
111.04449	7.5
111.08068	3.6
113.09599	1.3
115.05469	1.1
117.06985	3.0
119.08565	10.1
121.06517	5.0
121.10159	7.2
122.07286	1.7
123.08068	6.2
123.11730	8.8
125.09664	1.4
129.07033	2.6
131.08559	7.9
133.06500	1.5
133.10149	4.5
135.08058	9.4
135.11685	4.8
137.06032	6.7
137.09592	14.5
139.11183	1.9
141.07022	1.6
142.07805	2.5
143.08592	5.6
145.06439	1.9
145.10077	3.3
147.08078	3.5
147.11693	5.1
149.09633	12.1
149.13301	3.1
151.03912	1.3
151.07545	40.4
155.10669	4.3
157.06430	1.2
157.10138	5.1
159.08051	6.2
159.11668	5.5
161.06053	2.1
161.09567	7.5
161.13228	5.2
162.06773	3.9
163.07487	3.0
163.11192	4.7
165.09120	100.0
166.09425	3.0
169.10158	1.6
171.10251	1.6
171.11720	2.5
172.08861	1.7
173.09631	5.4
173.13348	1.9
174.06764	1.9
175.07556	6.4
175.11221	4.9
176.08377	5.8
177.09119	86.7
177.16367	2.1
178.09460	2.5
179.10718	3.2
183.08000	1.1
183.10162	1.3
183.11639	2.0
185.09630	4.6
187.11226	4.6
188.08409	5.9
189.09108	16.1
189.12817	3.6
190.09860	3.8
191.10661	50.4
191.17822	1.2
192.10974	2.0
197.09419	2.0
197.13177	1.6
199.11203	6.4
201.09126	4.0
201.12820	1.3
202.09822	3.3
203.10651	32.0
203.14395	2.1
203.17978	1.9
205.12242	48.3
206.12642	2.3
211.11113	2.0
213.12773	2.2
215.10622	2.3
216.11374	1.8
217.12242	10.7
219.13893	3.9
225.12737	2.7
229.12231	2.7
231.13802	17.5
232.14096	1.9
239.14363	1.4
243.13786	2.1
245.15341	4.7
289.21664	1.7
299.20145	4.2
317.21173	6.4
321.24646	1.2
333.24249	1.6
367.26361	2.8
385.27542	2.6
407.29556	2.0
425.30469	4.1
443.31772	6.0
445.19873	1.7
453.30011	1.5
471.31464	13.5
489.18900	4.5
489.32556	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01869	0.5
55.05262	0.3
55.05509	2.5
55.49454	0.2
57.03424	0.4
57.07056	0.4
59.04997	0.3
65.03939	0.4
66.84600	0.2
67.05506	7.9
69.03437	1.4
69.07074	1.3
69.70746	1.0
71.05003	1.3
73.02892	0.3
77.03939	0.2
79.05483	1.5
81.07062	5.9
82.07391	0.3
83.01334	0.2
83.04986	1.7
83.08614	0.6
85.02885	0.8
85.06053	0.3
85.06540	2.6
85.07024	0.3
87.04477	0.4
91.05484	2.4
93.07048	4.1
94.04156	0.2
95.04983	1.3
95.08609	18.1
96.08958	0.5
97.02885	0.5
97.06533	1.1
97.10166	0.4
99.00778	0.2
99.04454	1.7
103.03980	0.3
103.05470	0.3
105.07024	2.4
107.04951	0.7
107.08608	2.4
109.02872	0.4
109.06517	1.2
109.10158	10.8
111.04472	0.3
111.08073	0.9
113.05997	2.3
113.09669	1.0
115.05463	0.2
117.07013	0.7
119.07780	0.3
119.08581	4.5
121.06490	0.6
121.10152	2.4
122.07294	2.5
123.04466	0.3
123.08076	3.9
123.11703	1.8
124.04723	0.2
125.05980	0.6
125.09634	0.5
127.03938	0.5
128.06262	0.3
129.07010	0.5
129.09131	0.6
131.08556	0.8
131.18590	0.2
133.06480	0.3
133.10101	1.3
135.08073	1.1
135.11745	1.0
137.05997	1.8
137.09615	14.4
137.13220	0.2
138.09959	0.4
139.07539	0.7
139.11180	0.3
141.07045	0.2
141.09113	4.8
143.08568	0.5
145.06442	0.3
145.10123	0.9
147.08055	1.0
147.11699	0.6
149.06024	0.3
149.09631	3.8
149.13240	0.5
151.03873	0.3
151.07541	4.0
151.11201	0.5
153.09113	0.7
154.07799	0.2
155.08559	0.3
155.10638	1.0
157.08612	0.5
157.10149	0.6
159.08051	0.6
159.11699	1.8
160.08795	0.2
160.12062	1.3
161.09627	0.7
161.13240	0.6
163.07516	0.4
163.11192	0.5
163.14825	0.4
165.09117	100.0
166.09444	3.5
167.08578	0.2
169.08632	1.9
169.09999	0.4
171.07999	0.3
171.11623	0.3
173.09674	0.5
173.11798	0.3
173.13243	0.4
175.07570	0.4
175.11165	1.3
177.09114	1.2
177.12712	0.3
179.06999	0.3
179.08495	0.2
179.10674	0.8
181.10095	0.2
183.10187	0.7
185.09628	0.3
187.09677	3.4
187.11177	0.4
187.13330	0.4
188.08437	0.3
189.09067	1.0
189.12714	1.2
190.09940	0.4
191.10611	0.7
193.10152	0.4
194.10901	0.3
195.08109	0.3
197.09627	0.2
201.09251	0.3
201.11226	0.8
203.08702	0.3
203.10657	3.0
203.14323	0.8
203.17950	0.3
205.10329	0.4
205.12244	4.4
207.10138	0.6
207.11838	0.4
209.13319	0.3
211.11311	0.3
213.12694	0.2
215.10648	0.5
215.14296	0.3
221.07864	0.2
221.13258	0.2
221.19049	0.3
229.12256	0.3
245.15384	0.5
247.10909	0.2
253.18089	0.3
255.13751	0.2
279.23184	0.4
289.21521	0.2
291.23209	0.2
293.21066	0.3
301.21478	0.2
303.23196	0.3
307.22604	0.8
315.19522	0.3
317.21225	0.2
319.22745	0.3
325.23865	0.7
337.23672	1.4
365.19720	0.4
389.12387	0.3
425.20700	0.2
425.30450	0.6
443.22409	0.3
443.31259	0.7
453.30463	0.4
471.21680	0.9
471.31256	0.5
489.22568	2.8
489.28699	1.2
489.33008	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27299	0.2
53.03941	0.5
55.01867	0.3
55.05509	2.1
57.03430	0.6
57.07069	0.3
65.03928	0.4
67.05504	7.4
69.03419	0.8
69.07052	0.8
69.08290	0.7
69.08717	0.9
71.04976	0.8
73.02913	0.2
79.05493	1.3
79.26414	0.2
81.03402	0.3
81.07053	5.3
83.04981	1.5
83.08588	0.3
85.02908	0.4
85.06550	2.5
87.04449	0.2
91.05485	2.3
93.07053	2.9
95.04972	1.3
95.08606	14.7
96.08963	0.2
97.02874	0.3
97.06517	0.9
97.10154	0.5
99.04465	1.1
101.06000	0.4
103.05466	0.2
105.07027	2.2
107.04948	0.6
107.08591	2.2
109.06513	0.9
109.10155	7.8
111.04436	0.7
111.08083	0.7
113.05997	2.5
113.09646	1.4
117.07003	0.7
119.04935	0.2
119.08575	4.6
121.06493	0.8
121.10149	1.8
122.07297	2.3
123.04454	0.3
123.08083	3.3
123.11716	2.0
125.05927	0.3
125.09634	0.5
127.03914	0.3
128.06207	0.5
129.06993	0.4
129.09171	1.0
131.08574	0.9
133.05020	0.3
133.06467	0.3
133.10133	1.0
135.04356	0.2
135.08037	0.8
135.11671	0.8
136.83257	0.2
137.05988	1.4
137.09615	13.7
137.13197	0.4
138.09901	0.3
139.07549	0.5
139.11115	0.3
140.14247	0.2
141.06953	0.2
141.09099	4.7
143.08528	0.6
143.10709	0.3
145.06459	0.2
145.10147	1.2
147.08101	0.4
147.11681	0.9
149.06039	0.2
149.09612	2.8
149.13280	0.5
151.07552	4.2
151.11192	0.3
153.09134	0.3
155.08556	0.6
155.10622	0.5
157.08597	0.4
157.10104	0.5
159.07991	0.5
159.11688	1.3
160.12015	0.4
161.05991	0.2
161.09595	0.6
161.13237	1.3
163.11189	0.5
163.14760	0.4
165.09111	100.0
166.09422	2.5
169.08604	1.4
169.10046	0.5
171.08066	0.4
171.11751	0.3
173.09641	0.5
173.13190	0.4
174.10356	0.2
175.07513	0.3
175.11203	1.1
175.14743	0.2
177.09114	1.4
179.08618	0.2
179.10667	0.8
181.10089	0.2
183.10170	0.4
183.11717	0.2
185.09631	0.2
185.13240	0.2
186.10420	0.3
187.09671	4.3
187.11169	0.5
188.08327	0.3
189.09084	0.8
189.12770	0.8
191.10698	0.9
193.10164	0.5
195.08211	0.2
195.11714	0.3
197.09631	0.5
199.11119	0.5
201.12781	0.3
203.10678	4.8
203.14359	0.4
203.17928	0.3
205.10287	0.3
205.12228	3.0
207.10144	0.6
211.11211	0.3
215.12709	0.2
216.09114	0.2
217.10123	0.2
217.12158	0.4
223.11324	0.2
229.12195	0.3
235.11099	0.2
237.12837	0.3
241.12233	0.3
243.13771	0.3
245.15302	0.4
249.12845	0.2
255.20993	0.3
259.11111	0.2
272.11966	0.2
273.22128	0.4
275.14258	0.3
279.23367	0.4
287.10748	0.2
288.15201	0.2
291.23129	0.9
293.21088	0.4
307.22690	0.8
317.15463	0.2
319.22644	0.7
325.23721	0.6
337.23697	2.9
409.68057	0.2
425.21317	0.3
425.30493	0.8
443.22281	0.4
443.31549	0.6
453.20300	0.4
453.30365	0.3
461.22614	0.3
471.21686	0.9
471.30728	0.9
489.22614	3.7
489.31870	0.9
490.22903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03983	3.3
55.05510	13.4
65.03930	4.1
67.05509	36.1
69.07071	14.5
69.77567	13.5
79.05482	31.6
81.07062	48.2
83.04959	7.7
83.08620	6.7
91.05475	24.4
93.07043	48.9
94.28954	3.1
95.04973	12.0
95.08607	100.0
97.06508	16.0
97.10196	5.9
98.23359	3.1
98.57629	3.2
105.03371	6.9
105.07027	49.7
107.08598	55.8
109.10159	50.8
111.08084	9.0
117.07031	9.4
119.08572	48.7
121.06547	4.8
121.10143	46.8
123.08086	16.3
123.11714	23.4
125.09661	5.7
129.06998	4.4
131.08600	12.6
133.10120	41.1
133.11040	3.4
135.08043	4.5
135.11684	27.2
137.09593	4.6
137.13258	5.1
139.07578	3.8
139.11174	5.5
143.08559	9.0
145.10106	24.8
147.08046	4.7
147.11691	39.1
149.09634	6.1
149.13257	9.6
149.99478	3.1
151.11269	4.0
157.10159	10.9
159.08083	4.8
159.11696	21.1
161.09645	9.8
161.13261	45.5
163.11201	7.5
163.14847	7.6
165.09059	4.0
167.07056	12.8
169.10120	5.3
171.11729	9.6
173.13257	15.7
175.11258	5.7
175.14841	16.2
177.16391	12.0
183.11739	4.1
185.13290	6.3
187.14845	11.1
189.16351	21.5
197.13284	5.9
199.14896	6.4
201.16328	4.5
203.14299	4.6
203.17934	9.0
213.16367	5.7
215.14299	4.4
217.15945	9.0
221.15375	5.9
227.17897	3.7
229.15997	5.2
231.17485	3.6
232.02390	3.4
233.15498	3.5
235.16975	17.0
241.19597	4.5
247.17059	6.4
249.18353	4.5
340.75534	3.2
343.26453	9.0
355.26328	6.7
357.28174	4.2
369.24182	10.8
383.29224	4.2
401.30551	29.4
407.33243	10.0
409.27197	8.1
425.33987	22.2
435.32730	16.0
443.35214	4.2
453.33554	14.2
471.21478	11.8
471.34903	8.5
489.26398	80.2
490.26352	13.0
494.69077	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3576
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
50.01609	0.6
51.02378	2.1
53.03947	7.6
55.05503	2.8
57.03423	0.8
67.05503	5.1
69.07056	2.8
69.17973	4.9
71.04965	0.7
71.26170	0.6
76.26564	0.6
77.03922	1.6
79.05489	3.1
81.03431	0.7
81.07055	8.9
83.04971	2.1
83.08611	0.8
91.05486	3.9
93.07043	7.8
95.04971	10.0
95.08605	16.7
97.06547	1.3
97.10159	0.9
98.22612	1.5
99.32616	0.7
105.03391	100.0
105.04536	5.0
105.07028	8.1
106.03722	2.5
106.07341	0.6
107.08592	9.5
109.06515	0.8
109.10155	8.5
110.10489	1.1
110.48851	0.6
111.08105	1.9
119.08582	6.6
121.10143	9.9
123.08064	2.2
123.11703	5.1
125.09655	1.0
131.04828	0.7
131.08565	2.4
133.10126	7.4
135.08063	1.3
135.11682	5.2
137.05984	1.3
137.13298	1.4
139.11226	0.8
143.08575	1.1
145.06491	0.8
145.10138	3.2
147.08102	0.9
147.11708	7.5
149.13298	2.5
157.10124	1.6
159.11725	3.5
161.09605	1.1
161.13263	9.8
163.11153	0.7
163.14871	1.7
171.08095	0.9
171.11729	1.7
173.13286	2.6
175.14824	2.7
177.12717	0.8
177.16403	1.6
183.22731	0.7
185.13316	1.0
187.11067	0.6
187.14876	2.3
188.08366	0.9
189.12762	0.8
189.16438	2.5
191.10709	1.4
191.18028	0.8
199.14830	1.1
201.16389	1.9
203.10698	2.4
203.14331	0.8
203.18021	1.9
213.16312	0.7
215.14359	0.9
215.17810	0.8
217.15797	1.5
219.13969	0.7
219.17494	1.0
221.15399	1.2
229.15753	0.7
231.17412	0.9
235.17021	4.1
241.19504	1.1
247.16946	0.7
259.20670	0.8
315.23444	0.7
343.26349	1.6
353.13904	1.2
355.26349	1.2
365.28424	0.7
383.29587	1.0
397.30914	0.8
401.30606	5.3
407.32819	0.8
425.34241	4.0
435.32526	3.9
436.33218	0.8
443.35275	0.9
453.33804	3.6
465.78952	0.7
471.34619	1.8
472.35501	0.8
489.17969	0.8
489.29407	3.1
489.36032	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03983	3.3
55.05510	13.4
65.03930	4.1
67.05509	36.1
69.07071	14.5
69.77567	13.5
79.05482	31.6
81.07062	48.2
83.04959	7.7
83.08620	6.7
91.05475	24.4
93.07043	48.9
94.28954	3.1
95.04973	12.0
95.08607	100.0
97.06508	16.0
97.10196	5.9
98.23359	3.1
98.57629	3.2
105.03371	6.9
105.07027	49.7
107.08598	55.8
109.10159	50.8
111.08084	9.0
117.07031	9.4
119.08572	48.7
121.06547	4.8
121.10143	46.8
123.08086	16.3
123.11714	23.4
125.09661	5.7
129.06998	4.4
131.08600	12.6
133.10120	41.1
133.11040	3.4
135.08043	4.5
135.11684	27.2
137.09593	4.6
137.13258	5.1
139.07578	3.8
139.11174	5.5
143.08559	9.0
145.10106	24.8
147.08046	4.7
147.11691	39.1
149.09634	6.1
149.13257	9.6
149.99478	3.1
151.11269	4.0
157.10159	10.9
159.08083	4.8
159.11696	21.1
161.09645	9.8
161.13261	45.5
163.11201	7.5
163.14847	7.6
165.09059	4.0
167.07056	12.8
169.10120	5.3
171.11729	9.6
173.13257	15.7
175.11258	5.7
175.14841	16.2
177.16391	12.0
183.11739	4.1
185.13290	6.3
187.14845	11.1
189.16351	21.5
197.13284	5.9
199.14896	6.4
201.16328	4.5
203.14299	4.6
203.17934	9.0
213.16367	5.7
215.14299	4.4
217.15945	9.0
221.15375	5.9
227.17897	3.7
229.15997	5.2
231.17485	3.6
232.02390	3.4
233.15498	3.5
235.16975	17.0
241.19597	4.5
247.17059	6.4
249.18353	4.5
340.75534	3.2
343.26453	9.0
355.26328	6.7
357.28174	4.2
369.24182	10.8
383.29224	4.2
401.30551	29.4
407.33243	10.0
409.27197	8.1
425.33987	22.2
435.32730	16.0
443.35214	4.2
453.33554	14.2
471.21478	11.8
471.34903	8.5
489.26398	80.2
490.26352	13.0
494.69077	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87838	1.3
51.95590	1.3
55.01896	1.3
55.05500	12.8
57.03429	1.3
57.07074	5.8
59.05005	2.4
65.03938	1.6
67.05503	22.3
69.07068	21.7
71.08636	1.6
71.68786	1.3
73.06537	1.4
77.03181	1.4
79.05508	10.4
81.07056	40.3
83.08617	11.2
85.06551	2.7
91.05473	6.0
93.07037	21.1
95.08604	100.0
96.08948	2.4
97.10175	6.4
99.08099	19.3
105.07027	12.3
107.08594	29.1
109.06522	9.3
109.10156	45.7
111.08054	1.9
111.11717	2.6
113.09642	13.1
113.52736	1.6
115.07580	2.2
117.06970	2.3
119.08570	19.9
121.10143	21.6
123.08086	4.0
123.11703	36.4
127.11217	1.9
131.08592	4.5
133.10124	17.7
135.08118	1.8
135.11690	13.9
137.09654	1.6
137.13239	10.3
141.09081	1.6
141.12721	2.5
145.10165	7.1
147.08092	2.6
147.11658	11.1
149.09637	1.7
149.13246	13.7
151.11275	1.7
151.14789	2.4
153.09131	1.7
157.10121	3.2
159.11688	12.4
161.09724	3.3
161.13205	9.2
163.11227	3.8
163.14787	8.6
165.09174	4.1
165.12787	3.5
165.16298	1.5
171.11719	3.5
173.13255	9.6
175.11298	2.5
175.14851	5.4
177.12709	15.3
177.16396	3.9
179.14293	4.3
185.13306	2.2
187.14819	2.9
188.15291	1.5
189.12723	2.3
191.14336	4.8
191.17955	2.0
195.13754	2.5
201.16376	2.6
203.14294	2.6
205.19485	2.9
207.13794	5.1
215.14348	1.9
217.19527	2.8
219.13840	3.1
219.21071	2.0
221.15388	5.7
223.20541	1.6
233.15335	3.2
234.99542	1.6
235.16855	1.7
237.22112	15.2
239.16379	2.1
247.16890	4.2
251.23770	1.7
253.17854	2.1
297.22180	3.3
315.23215	2.5
329.24490	1.5
415.35663	1.6
421.34631	2.2
439.35907	7.3
457.36768	4.5
471.38235	4.4
489.39984	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.7
51.02385	2.1
53.03951	8.8
53.71642	0.2
55.01873	0.5
57.07844	0.3
61.34402	0.2
71.32368	0.3
77.03933	1.8
77.30127	0.2
81.03422	0.9
93.07024	0.2
95.04971	9.3
105.03392	100.0
105.04535	4.8
106.03728	1.8
109.10178	0.3
121.59753	0.3
187.70357	0.3
233.09727	0.3
234.09938	0.3
249.09276	0.3
263.10654	0.3
279.10324	0.3
282.08789	0.5
285.07715	0.6
291.10193	0.7
294.12360	0.3
295.09665	0.4
300.10104	0.6
305.11658	0.6
306.09164	0.2
306.12543	1.1
307.09805	0.6
307.13205	0.5
310.12128	0.3
315.12241	1.7
321.11182	0.7
322.12064	1.1
323.09418	0.3
323.12744	1.2
325.14337	0.5
337.14310	2.8
338.11551	0.5
338.15067	1.5
338.18546	0.3
339.12305	0.6
353.13882	3.3
355.11600	0.4
368.16309	0.7
369.16971	6.9
369.21454	0.5
370.13837	0.3
385.11618	0.4
385.16440	2.9
409.27560	0.3
415.15631	0.3
419.15060	1.0
443.14856	1.1
444.15576	1.6
459.18100	2.2
461.15500	0.3
473.19714	0.3
475.17514	12.3
476.17950	1.1
490.19855	15.2
491.20139	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81290	1.6
55.05488	2.1
57.03437	9.7
67.05507	2.5
69.03409	2.6
69.34521	13.1
71.04993	79.5
73.02908	3.3
75.04478	4.3
79.05508	2.2
81.07093	2.1
83.04980	13.5
85.02911	100.0
91.05482	3.8
95.08633	2.4
97.02895	2.8
100.11267	2.1
104.15540	1.7
105.06963	2.0
107.59422	2.1
111.04428	7.7
119.08582	3.1
123.04414	5.6
125.41547	1.9
127.03913	4.5
129.05482	46.9
137.05992	18.4
138.06320	5.1
145.05014	3.1
147.06523	23.3
147.08044	6.0
151.07530	3.7
157.53368	1.9
161.05879	3.1
163.07458	2.6
164.09256	2.9
165.09073	15.9
195.03081	1.9
336.13297	2.2
428.68683	1.9
452.05725	1.9
491.20084	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53817	0.4
53.03949	0.6
55.01863	0.6
55.05507	1.6
57.03438	12.1
59.05008	0.7
60.00331	0.4
61.02939	1.0
62.67362	0.5
69.03432	2.1
70.32464	0.5
70.32795	1.6
71.01345	0.7
71.04993	81.3
72.05323	1.1
73.02916	2.2
75.04481	4.4
75.23757	0.5
77.99333	0.5
83.04976	7.7
85.02904	100.0
86.03238	1.1
87.04463	1.6
93.47039	0.5
97.02901	3.4
99.04436	1.2
103.03949	0.8
105.07033	1.8
109.02828	1.0
111.04428	5.2
112.49816	0.5
124.05206	3.5
127.03901	3.0
129.05476	42.2
133.06473	1.3
136.46404	0.4
137.05965	3.9
144.06589	0.6
145.04955	2.5
146.08090	1.6
147.06519	20.5
148.06767	0.5
155.17046	0.4
162.07578	1.1
163.05969	0.6
164.09207	5.0
165.09099	8.6
180.08678	0.7
189.09070	0.9
231.10187	0.9
255.08501	1.0
273.09625	0.8
490.23053	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
55.05513	2.4
57.03440	12.3
61.02928	1.5
69.03432	3.1
69.38952	2.6
69.39365	5.0
71.04992	80.3
73.02920	2.0
75.04491	4.0
79.05473	1.3
79.92399	1.1
81.03399	1.6
83.04981	7.5
85.02906	100.0
86.03284	1.2
87.04478	2.6
97.02908	3.5
99.04462	2.5
103.03950	1.9
105.07040	4.7
107.08624	1.4
109.02972	1.3
111.04429	2.7
127.03920	2.1
128.35901	1.0
129.05473	41.3
133.06516	4.3
137.05980	21.1
145.04982	2.7
146.08157	1.5
147.06514	22.4
151.07533	2.0
153.05479	1.0
157.94659	1.1
159.08098	1.2
164.09225	5.9
165.09129	16.0
166.09380	1.3
175.07556	1.4
177.09102	2.2
189.09126	5.5
191.10703	2.2
215.10666	1.6
219.10321	1.4
220.54761	1.1
420.84097	1.2
486.89566	1.3
491.21347	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08380	1.9
55.05516	12.9
57.07059	2.7
60.64925	1.9
67.05499	14.1
69.07066	12.8
69.75037	9.0
71.04998	8.7
71.08625	2.1
79.05489	4.4
81.07055	20.0
83.04987	2.5
83.08619	8.4
91.05471	5.5
93.07050	6.3
95.08605	27.3
97.06514	3.7
97.10169	3.4
102.39861	3.0
105.03413	6.7
105.07020	4.3
107.08625	7.3
109.10156	17.9
119.08516	4.8
121.06536	3.0
121.10165	5.2
123.08035	2.7
123.11706	9.4
131.08594	3.1
133.10159	3.6
135.08104	3.5
135.11755	6.2
137.06004	10.5
137.13269	5.9
145.10156	4.3
149.06009	4.9
151.07527	27.5
161.06046	3.5
161.13243	2.6
165.05492	9.1
165.09132	6.9
166.05888	2.0
167.07034	90.5
171.07965	2.2
175.07574	3.7
177.09128	3.1
179.10651	4.2
189.09137	20.1
191.10704	2.7
193.08647	5.3
203.10564	11.6
207.10207	9.7
212.78558	2.0
217.12315	5.9
241.32613	2.1
354.17593	3.1
409.30933	5.4
427.32016	40.0
445.33145	100.0
446.33362	8.2
471.13211	2.8
490.35397	2.6
491.37009	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.2
55.05501	16.4
57.07074	12.1
60.04661	3.0
60.89459	2.9
65.45935	3.0
67.05512	25.1
67.86597	2.9
69.03412	3.4
69.07079	18.8
69.14724	26.8
71.08636	4.8
72.10072	3.0
79.05486	13.0
81.07062	57.6
83.08620	10.0
91.05491	6.1
93.07028	17.0
95.08615	40.8
97.06502	4.0
97.10170	7.9
105.03391	19.4
105.07030	6.2
107.05025	3.4
107.08601	14.8
109.10157	24.7
119.08607	5.3
121.06480	3.6
121.10129	5.8
123.11704	15.4
131.08614	3.6
133.10147	7.1
135.11684	8.7
137.05988	10.8
137.13284	4.7
139.07500	5.5
145.10159	5.4
151.07542	39.0
157.10123	4.4
161.05997	6.4
161.09692	3.8
165.05478	11.1
165.09114	10.9
166.14346	3.7
167.07045	100.0
175.07642	5.5
177.09135	5.9
179.07056	5.9
179.10600	4.8
187.14691	3.4
188.08356	3.6
189.09126	9.2
191.10628	3.9
203.10756	8.0
207.10144	8.9
289.05884	3.4
316.81085	3.1
399.32547	4.0
427.32169	17.8
445.33078	60.2
446.32849	4.2
466.23914	3.6
491.35959	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.9
53.03947	9.6
55.01863	1.1
55.05506	4.2
57.07061	1.6
59.04989	1.1
59.74082	0.9
65.03953	1.0
67.05513	5.5
68.05838	1.4
69.07057	3.3
69.19638	4.5
71.04990	4.7
77.03926	1.4
79.05484	4.2
81.03420	1.3
81.07059	7.6
82.07365	1.0
83.04987	1.4
83.08612	1.9
85.06559	1.6
91.05486	4.2
92.05850	1.1
93.07047	5.1
95.04977	8.7
95.08604	5.8
95.85441	0.8
97.06579	1.0
97.10167	3.4
99.30328	0.9
105.03388	100.0
105.04526	3.6
105.07035	5.8
107.08581	8.3
109.10145	7.2
112.17391	0.9
119.08567	5.4
121.10152	4.3
123.08070	1.3
123.11697	2.0
125.09621	8.4
131.08580	2.0
133.10114	3.5
135.11682	2.6
137.09628	1.0
139.11169	1.2
139.62772	0.9
143.08598	2.2
143.10677	18.4
145.10158	2.1
146.10419	0.9
147.11700	2.6
149.09610	1.5
149.13313	0.9
151.07582	0.9
157.10106	1.4
159.11652	3.1
161.13261	1.8
167.10670	1.3
169.10077	0.8
171.11725	1.1
173.13239	1.8
183.08054	0.8
183.11621	0.9
187.14824	1.2
189.79669	0.7
201.16464	1.2
204.48587	0.9
246.88892	0.8
271.14905	0.9
315.23044	2.0
321.39014	0.9
454.37515	1.4
459.18060	2.3
460.18585	2.0
490.29645	1.5
490.35904	5.8
491.20309	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.3
55.05511	24.6
57.07055	6.2
59.04990	5.2
65.03942	4.5
65.82085	4.4
67.05505	58.6
68.05804	5.3
69.03430	7.6
69.07072	21.7
71.04987	13.3
71.30270	6.2
73.41077	4.9
79.05494	44.9
81.07056	71.8
83.04977	43.7
83.08621	7.0
91.05478	51.8
93.07043	80.0
95.04980	39.9
95.08605	82.0
97.06514	15.2
105.03414	6.4
105.04510	4.4
105.07027	81.9
105.07677	7.4
107.08601	74.2
108.08897	6.9
109.06492	10.1
109.10164	60.4
111.04425	4.6
111.08064	8.0
117.07007	16.2
119.08588	71.3
120.08930	5.9
121.06476	5.3
121.10140	68.7
122.10454	6.4
123.08057	22.7
123.11711	19.8
124.05192	14.3
125.05933	6.3
125.09658	9.4
126.30571	4.2
129.06999	7.4
130.78578	4.5
131.08578	43.3
133.10126	49.1
135.08035	7.3
135.11702	30.7
137.06039	5.0
137.09599	15.0
139.11151	6.9
143.08585	13.4
144.09300	6.2
145.10115	66.3
147.11687	39.3
149.09647	30.8
149.13261	20.4
155.08557	9.1
157.10138	24.2
159.11731	36.5
161.13268	26.9
163.11159	10.2
163.14799	11.9
167.10686	100.0
169.10149	12.6
171.11679	13.0
173.11948	5.1
173.13239	23.7
175.11244	9.3
175.14830	14.3
177.12790	11.3
181.10152	7.7
183.11601	6.2
185.13251	15.8
187.11237	7.4
187.14792	13.5
189.12630	5.4
189.16444	7.0
191.14328	15.4
193.10052	5.8
193.15904	5.7
197.13216	6.4
199.14893	9.3
201.16414	15.1
203.14287	4.8
209.13202	6.0
213.16444	10.9
215.17908	6.2
217.15752	6.5
227.18024	6.8
250.33054	4.4
256.26315	9.2
279.73303	5.1
389.24194	5.1
431.25769	11.7
437.33783	7.9
441.24307	6.1
473.26749	5.2
490.29898	21.0
490.36499	17.7
491.28641	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.095
Annotation	Bacillisporin C
Peak:m/z	Relative Intensity
64.50364	4.1
71.17224	9.2
77.47419	4.2
94.07304	4.0
123.48695	4.2
144.71742	4.7
202.89000	5.0
213.83456	4.8
292.76367	5.3
329.97644	4.1
333.42395	4.7
344.59085	5.0
391.71396	4.6
491.09482	100.0
492.10147	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.4
51.02377	1.6
51.93134	0.3
53.03948	7.2
55.01862	1.0
55.05513	1.8
57.07061	1.1
67.05506	4.0
69.07058	2.0
69.34418	1.3
69.34831	0.7
70.55054	0.3
71.08629	0.9
77.03909	1.3
79.05506	1.8
81.03413	1.1
81.07066	2.3
83.04957	0.5
83.08610	1.6
87.16216	0.4
91.05479	1.7
93.07054	2.5
95.04364	0.5
95.04966	8.3
95.08589	2.2
96.57359	0.4
97.06499	0.6
97.10161	1.5
105.03387	100.0
105.04535	3.8
105.07029	1.4
106.03701	1.6
107.08585	1.8
109.10155	2.2
119.08591	1.2
121.10130	1.1
123.11691	0.5
131.08626	0.4
133.10126	1.0
135.11658	1.8
139.07446	0.6
145.10139	0.5
149.06017	0.5
151.07521	1.3
157.10191	0.4
166.06264	0.6
167.07042	6.3
193.12216	0.5
209.08040	1.8
215.85622	0.4
237.22098	1.0
315.17731	0.4
323.12689	0.5
339.12402	0.6
348.42255	0.4
355.15366	0.4
357.13361	0.5
385.16287	0.4
389.10153	0.5
421.13235	0.5
422.13681	0.5
429.13315	0.4
435.14343	1.0
444.15750	0.4
459.17957	2.0
460.18747	2.4
461.19110	0.4
491.20670	10.3
491.36929	5.3
492.20657	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.6
50.41516	0.5
51.02371	1.8
53.03708	0.7
53.03947	8.1
67.05489	0.8
69.29530	0.9
69.29942	2.4
77.03918	1.4
81.03413	0.7
81.07047	0.5
95.04965	9.6
105.03387	100.0
105.04530	4.3
106.03713	2.1
108.35928	0.5
146.23775	0.6
265.08548	0.5
355.15128	0.7
375.08667	0.7
403.19391	0.6
404.13242	0.6
431.18594	0.8
435.14145	0.7
459.17862	1.2
460.18799	1.7
491.20178	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.7
51.02377	1.7
53.03947	7.3
55.01876	0.3
70.52673	0.4
70.53043	0.4
77.03908	1.8
78.18256	0.2
78.76019	0.2
81.03413	0.9
95.04968	8.3
105.03391	100.0
105.04536	4.1
106.03703	1.7
117.31252	0.2
197.24402	0.2
233.33574	0.2
240.92256	0.2
265.06909	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.6
51.02378	1.6
53.00281	0.2
53.03946	5.9
55.01870	0.6
55.05507	0.4
57.03428	0.1
57.07085	0.1
65.03941	0.2
67.05136	0.2
67.05501	2.8
69.07059	0.3
77.03919	1.3
79.05486	0.5
81.03428	0.8
81.07056	1.4
83.08607	0.3
91.05463	0.6
93.07055	0.6
95.04968	8.7
95.08606	1.1
96.05338	0.2
105.03390	100.0
105.04528	4.2
106.03720	2.0
107.08580	0.4
109.10148	1.5
118.06524	0.2
119.08572	0.3
121.10138	0.4
123.11653	0.1
133.10168	0.2
135.11700	0.1
145.10071	0.1
149.13184	0.1
161.13309	0.1
173.11749	0.4
229.19093	0.1
246.06319	0.1
295.13297	0.2
298.08704	0.1
313.10547	0.1
323.12683	0.2
353.14032	0.1
355.15540	0.6
371.14972	0.2
379.69290	0.1
385.16492	0.3
459.17953	0.4
476.18762	0.1
491.20328	0.7
491.30832	0.6
491.37549	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.6
51.02371	1.7
53.03945	5.9
55.01874	0.5
55.05494	0.3
57.31099	0.2
67.05496	1.7
67.88525	0.2
69.07066	0.4
69.41137	0.4
69.41545	0.9
77.03918	1.5
77.59856	0.2
78.52605	0.2
79.05476	0.4
81.03400	0.7
81.07054	0.5
91.05480	0.8
93.07050	0.4
95.04358	0.4
95.04966	7.9
95.08568	0.5
105.03387	100.0
105.04528	4.6
105.07026	0.7
106.03709	2.3
107.08606	0.5
109.10157	0.8
118.06559	0.2
119.08588	0.5
121.10240	0.2
126.07805	0.2
133.10124	0.5
135.11691	0.2
137.05901	0.2
138.68802	0.2
147.11707	0.3
149.02235	0.2
159.11734	0.3
161.13242	0.4
197.09647	0.2
200.26839	0.2
267.09799	0.2
307.09485	0.3
323.12720	0.4
345.07867	0.3
355.15417	0.8
368.12552	0.3
375.08575	0.3
385.16742	0.4
389.10031	0.4
421.12750	0.4
427.15311	0.2
435.14026	0.5
444.16077	0.3
445.16467	0.2
459.18045	1.2
460.18884	1.8
461.19211	0.3
473.18307	0.3
490.30087	0.6
491.20526	7.3
491.31104	9.5
491.36914	0.3
492.20786	0.7
492.31525	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.8
51.02375	1.0
51.02613	0.1
53.00306	0.1
53.03946	4.5
54.04271	0.1
55.01871	0.3
57.84307	0.1
69.07076	0.1
69.07951	0.5
69.80750	0.1
77.03922	1.7
77.85641	0.0
81.03426	0.7
81.07078	0.1
82.67635	0.1
91.05457	0.1
95.04966	8.2
96.05334	0.1
98.00423	0.1
105.03392	100.0
105.04523	3.8
105.18916	0.1
106.03719	2.0
106.04809	0.1
117.07027	0.1
118.06512	0.1
131.04843	0.1
145.10280	0.1
195.29942	0.1
213.05664	0.1
220.08733	0.1
249.09097	0.1
251.10922	0.1
255.06474	0.1
265.08624	0.2
271.09717	0.1
279.10196	0.1
281.08237	0.1
295.09744	0.1
295.13333	0.1
307.09613	0.1
308.10425	0.1
310.08392	0.1
311.09381	0.1
313.10709	0.1
323.12729	0.3
339.12338	0.2
353.10056	0.1
353.13611	0.3
355.15460	0.7
357.07303	0.1
357.13330	0.2
361.10641	0.1
371.09521	0.1
371.14886	0.4
373.10913	0.1
375.08438	0.1
377.10355	0.1
385.11603	0.1
385.16333	0.4
386.17050	0.1
389.10101	0.2
399.16083	0.1
404.12604	0.1
407.10779	0.1
417.13837	0.1
421.12857	0.3
422.13504	0.1
423.14154	0.1
427.15320	0.2
430.54260	0.1
435.14420	0.3
436.15518	0.1
441.16779	0.1
444.15521	0.1
445.16470	0.1
449.16061	0.2
459.12088	0.1
459.18079	0.8
460.18723	0.6
473.19513	0.2
476.17801	0.1
491.20587	3.6
492.20874	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.7
51.02377	1.2
53.03949	5.3
55.01875	0.4
55.05515	0.2
60.79283	0.1
63.02343	0.1
67.05502	0.3
70.68450	0.1
71.31172	0.1
77.03922	1.6
77.76155	0.1
79.05492	0.3
81.03423	0.7
81.07064	0.2
91.05473	0.3
93.07057	0.3
95.04969	8.5
95.08596	0.2
96.05296	0.2
105.03391	100.0
105.04527	4.0
106.03717	1.9
106.04840	0.1
107.08576	0.2
109.10130	0.1
115.05450	0.1
117.06963	0.1
118.06533	0.1
119.08610	0.2
121.10143	0.1
128.06148	0.1
131.08568	0.2
133.10138	0.2
143.08559	0.2
145.10115	0.3
145.63583	0.1
147.11664	0.1
148.44742	0.1
155.08615	0.1
157.10135	0.3
161.09647	0.1
163.11159	0.1
169.10187	0.1
179.08728	0.1
183.11751	0.1
187.11049	0.1
199.11115	0.1
207.11780	0.1
211.14691	0.1
213.12704	0.1
221.13353	0.1
225.09407	0.1
239.14145	0.1
249.09023	0.1
257.15366	0.1
267.13870	0.1
271.09579	0.2
279.10114	0.1
295.13461	0.2
307.09525	0.1
313.10626	0.1
323.09222	0.1
323.12689	0.2
325.10718	0.1
339.12247	0.2
339.83719	0.1
353.13919	0.2
355.15436	0.7
357.13284	0.3
369.17163	0.1
371.15054	0.5
374.81927	0.1
385.16315	0.5
413.24805	0.2
421.12943	0.2
422.13562	0.2
423.23175	0.2
435.14514	0.3
441.24164	0.4
445.16415	0.1
445.27612	0.5
449.15897	0.4
459.17999	0.6
459.25238	0.7
460.18671	0.3
491.20636	1.9
491.27530	0.5
492.20401	0.2
510.59897	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.9
51.02380	1.4
53.00312	0.1
53.03950	5.5
54.04268	0.1
54.57895	0.1
55.01870	0.5
55.05503	0.1
63.73837	0.1
67.05500	0.3
69.07062	0.2
69.11639	0.5
69.12051	0.1
73.78866	0.1
77.03923	1.9
79.05496	0.3
81.03422	1.1
81.07065	0.3
83.04975	0.1
91.05485	0.3
93.07052	0.3
95.04971	9.0
95.08614	0.1
96.05316	0.1
104.88268	0.1
105.03395	100.0
105.04527	4.3
105.18912	0.1
106.03722	2.2
107.08584	0.2
109.10139	0.2
115.90520	0.1
117.07037	0.1
118.06538	0.1
119.08564	0.2
121.10148	0.1
133.10138	0.2
143.08592	0.1
145.10124	0.1
147.11703	0.1
155.08571	0.1
157.10182	0.1
163.11171	0.1
193.12242	0.1
237.12852	0.1
244.11909	0.1
265.08539	0.1
265.12247	0.1
267.15836	0.1
269.17538	0.1
290.65900	0.1
295.13187	0.1
317.10333	0.1
323.12796	0.3
325.10782	0.1
339.12183	0.1
351.25262	0.3
353.13748	0.3
354.14572	0.1
355.15445	0.7
357.13293	0.2
369.16815	0.1
371.14865	0.2
385.16406	0.3
386.17154	0.1
449.15863	0.2
459.18088	0.4
473.23129	0.1
473.29373	0.1
476.18378	0.1
491.20004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	1.0
51.02377	1.8
53.03948	7.8
55.01858	0.3
55.05500	1.0
56.25859	0.3
64.52374	0.3
66.68824	0.2
67.05514	1.6
69.07069	0.5
71.04983	0.3
71.31852	0.6
77.03928	2.3
79.05493	1.8
81.03407	2.1
81.07044	1.3
83.04982	0.6
83.08606	0.5
91.05489	2.6
93.07032	2.0
95.04970	10.4
95.08604	1.6
105.03391	100.0
105.04536	4.4
105.07022	1.3
106.03700	1.7
107.08597	0.7
111.08088	0.5
119.08587	1.0
121.06533	0.3
121.10171	0.4
123.08137	0.3
129.07010	0.7
133.10187	0.4
137.06059	0.5
145.10088	0.5
147.11708	1.0
161.13292	0.5
171.11691	0.9
183.11787	0.4
189.12907	0.3
193.12260	0.7
203.10614	0.3
207.13942	0.3
233.02446	0.4
263.19940	0.3
265.12268	0.3
323.12845	0.3
337.14417	2.1
338.14948	0.3
368.12601	0.4
369.16968	0.6
385.16534	0.7
421.12997	0.6
435.14252	0.5
459.18167	1.2
473.23257	0.4
473.29285	0.6
491.20456	4.0
491.30457	0.5
492.21051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
53.45115	0.9
55.01858	1.9
55.05497	1.5
56.64840	0.9
60.09588	0.9
62.74954	0.9
65.03918	1.3
67.05489	2.6
69.03406	1.8
69.07043	0.8
71.04996	0.9
79.05493	5.7
81.07060	4.3
91.05482	12.0
93.07033	3.8
94.04205	4.8
95.04955	3.0
95.08595	1.6
103.05466	7.3
105.03397	1.1
105.07044	8.1
107.04945	3.8
107.08559	3.4
109.06499	4.4
109.10179	1.3
115.05433	6.1
116.06184	1.1
117.07030	5.5
118.04097	2.3
119.04934	3.9
119.08556	2.4
121.06511	5.5
121.10146	1.4
122.03653	8.3
123.04418	8.1
123.08046	3.7
128.06213	3.6
129.06985	6.7
131.04924	7.8
131.08591	1.5
132.05652	0.9
133.06470	4.7
133.10130	1.4
135.04420	9.2
135.08052	2.2
136.05194	1.5
137.05974	100.0
138.06299	2.7
141.06976	2.6
141.51335	0.9
143.04936	1.6
143.08496	1.5
145.06482	4.0
145.10164	0.9
146.03639	8.4
146.07303	1.6
147.04393	1.4
147.08035	2.3
148.05214	1.9
149.05969	5.9
149.09631	1.9
151.03951	5.6
151.07539	43.6
151.08774	2.2
153.06926	0.9
157.06485	4.7
157.10126	1.1
159.04382	1.1
159.08043	1.1
160.05190	2.6
161.05977	50.1
161.09584	4.2
162.06473	2.2
163.07549	13.3
165.07010	2.5
165.09122	5.1
167.07063	1.2
169.06465	2.7
171.08078	1.5
173.05940	2.0
174.06778	4.0
175.07558	22.5
176.08073	1.3
177.05489	1.5
177.09099	15.7
179.08507	1.9
181.06442	1.6
182.07240	1.5
187.07497	3.4
189.06978	3.5
189.09091	14.5
190.07779	1.8
191.06956	1.8
191.08566	1.9
193.06425	2.2
193.08501	1.2
193.10197	1.1
194.07246	1.7
195.08197	2.1
195.10152	20.0
195.11778	1.7
199.07544	1.3
201.09125	3.1
203.10739	1.1
205.06508	2.0
206.07251	3.6
207.08043	3.3
207.10161	4.8
210.06732	2.3
211.07426	1.3
213.08904	1.0
217.06427	2.9
217.08356	1.5
218.07353	2.2
219.08006	3.5
219.10181	3.5
221.05916	3.0
221.09590	1.3
222.06747	2.9
223.07471	3.6
224.08241	2.4
225.09099	3.6
231.08022	2.5
233.05978	1.7
234.06761	12.0
235.07539	6.8
236.08255	2.3
237.05486	1.2
237.09073	4.3
238.06219	1.1
239.06903	2.7
239.10672	2.5
240.07794	1.5
241.08525	1.3
245.06032	1.8
247.07501	3.9
248.08276	2.0
249.05313	1.1
249.09140	14.8
250.06306	1.8
250.09615	1.7
251.06964	4.2
251.10672	2.1
252.07767	1.0
253.08571	5.9
255.10164	1.7
257.09570	2.0
259.07593	1.3
261.09073	2.5
261.87033	1.2
262.06256	9.8
263.07019	4.6
264.07724	2.4
265.05893	1.5
265.08557	7.7
265.12341	1.2
266.09344	2.7
267.10120	4.7
268.07147	2.0
269.08038	1.2
276.07819	1.0
277.08591	45.3
278.09155	3.9
279.06577	1.4
279.10101	4.8
280.07193	1.8
280.10767	1.2
281.07849	4.4
281.11789	1.4
282.08777	1.9
283.09723	4.8
284.10382	3.1
285.11288	5.1
289.08542	1.3
290.09076	1.1
291.10086	4.7
293.08203	2.1
294.08875	5.7
295.09595	7.7
296.10281	5.8
297.08478	1.1
297.11295	14.7
299.12762	4.4
308.10571	1.7
309.11249	28.3
310.11905	5.7
311.12878	9.9
317.11432	2.9
319.09579	1.0
321.11365	2.1
323.12689	4.1
330.14404	1.5
335.12936	4.4
337.14386	1.3
338.09348	1.5
341.13980	2.1
342.08545	1.2
343.15411	1.8
349.14291	3.0
353.11496	1.4
357.11523	1.4
366.12445	1.4
367.09805	1.4
367.15326	4.0
368.10025	1.0
369.10858	1.2
370.11963	1.2
380.10541	1.1
381.11093	1.5
383.12683	1.2
400.13141	1.3
409.14075	1.1
413.13748	3.1
415.15317	4.1
416.15918	1.7
419.18362	1.7
427.15366	2.6
431.18524	2.6
432.15576	1.6
441.16705	3.3
445.15903	5.1
447.17981	9.7
459.17996	14.7
460.18265	2.0
473.19647	6.0
491.20490	41.8
492.20413	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.4
55.01880	4.5
55.05507	8.1
57.03436	1.2
57.07067	1.2
58.82049	1.0
59.04993	1.2
65.03944	1.8
67.05504	13.4
69.03437	7.4
69.07075	3.2
71.05007	1.8
71.29379	1.3
72.10387	1.0
73.06580	2.0
74.51539	0.9
77.03941	1.3
77.51437	0.9
79.05494	9.8
81.03437	1.7
81.07059	9.8
83.04987	9.7
83.08630	1.0
85.02949	1.6
91.05478	24.3
91.06004	1.8
93.07040	26.9
93.07618	1.8
95.04967	14.2
95.08608	17.9
97.02910	3.1
97.06553	2.7
103.05471	2.7
105.03411	1.5
105.04537	2.1
105.07026	30.3
107.04965	3.2
107.08575	9.6
107.17815	1.0
109.02871	1.4
109.06534	5.6
109.10169	2.3
111.04471	4.0
111.08079	10.0
112.96415	0.9
113.06025	1.2
115.03956	1.3
115.05431	5.4
116.06288	1.4
117.07014	7.0
119.04971	2.5
119.08586	16.9
121.06503	17.9
121.10171	4.0
123.04444	1.0
123.08062	7.6
123.11703	1.1
128.06224	11.5
129.06990	10.9
129.07735	1.0
130.07791	1.9
131.04961	3.3
131.08574	11.7
132.05817	1.3
133.06477	5.4
133.10124	15.4
135.08037	10.5
135.11720	1.5
136.24812	0.9
137.05986	9.5
137.09641	1.6
139.03932	1.0
139.07523	5.3
141.06979	5.9
142.07767	11.1
143.08566	15.1
143.09651	1.2
144.09343	2.0
144.26784	0.9
145.06509	7.6
145.10129	12.0
146.07309	2.7
147.04457	2.9
147.08038	11.3
147.11720	4.2
149.06036	3.4
149.09651	4.4
151.07541	4.7
152.06256	2.5
153.07066	3.4
154.07816	3.3
155.08560	12.2
156.09334	3.1
157.06496	4.4
157.10124	17.2
157.11395	1.0
158.07259	2.8
158.10898	1.2
159.04477	3.6
159.08054	12.1
159.11681	8.4
160.08864	3.3
161.06003	5.3
161.09621	24.3
161.10864	1.9
161.13277	1.1
163.04001	1.1
163.07585	3.2
163.11234	3.0
165.05740	1.6
165.06953	5.1
165.09120	6.2
166.07779	3.0
167.08565	7.1
168.09433	1.8
169.06522	3.4
169.10130	7.0
170.07341	2.3
170.10901	2.0
171.08047	11.5
171.11682	4.9
172.08862	3.1
173.05998	5.6
173.09608	11.9
173.13292	1.1
174.06770	1.3
175.07542	6.5
175.11165	11.3
177.09111	1.8
178.07814	3.1
179.08545	8.2
180.09407	3.9
181.05064	1.6
181.06483	1.9
181.10115	6.0
182.10930	1.6
183.08063	5.0
183.11761	4.4
184.08817	1.8
185.05992	2.5
185.09618	16.8
185.13309	2.6
186.10309	1.1
187.07628	4.3
187.11148	5.7
189.09076	15.4
190.07800	1.8
191.07022	1.8
191.08578	3.1
191.10690	2.6
192.09370	3.7
193.10150	5.3
194.10896	2.3
195.08075	7.7
195.10167	1.5
195.11705	8.6
196.08879	2.1
196.12514	1.9
197.05966	4.9
197.09636	6.3
197.13217	5.8
198.06853	1.2
198.10298	1.0
199.07541	13.1
199.11206	5.8
200.08105	1.6
200.97627	1.1
201.09113	14.4
201.12654	1.3
203.08791	2.9
203.10663	28.8
203.12483	1.9
204.09352	1.8
204.11110	1.3
205.08508	1.5
205.10193	4.6
205.12109	1.2
206.10916	2.6
207.08159	1.7
207.11702	6.0
208.08939	3.2
208.12543	1.7
209.09639	8.6
209.13353	4.4
210.06740	1.2
210.10381	3.7
211.07559	12.2
211.11163	7.5
211.14668	1.6
212.08224	1.5
212.11804	1.2
213.09129	7.8
213.12805	4.5
215.06961	1.4
215.10654	4.9
215.14380	1.7
216.09222	1.8
217.08423	1.3
217.10217	3.0
218.10921	1.9
219.08154	1.9
219.11630	6.3
220.08958	2.6
220.12479	1.8
221.09616	4.2
221.11757	3.0
221.13542	2.2
222.10460	3.2
223.07614	6.0
223.11172	12.2
223.14839	1.1
224.11893	2.1
225.09276	6.4
225.12755	9.8
226.09920	1.0
227.06999	1.9
227.10736	3.4
227.14412	2.5
229.10277	2.4
229.12303	2.3
230.10913	2.1
231.08125	1.2
231.09859	1.3
231.11749	3.4
232.08858	2.1
232.12389	1.0
233.09639	2.6
233.13327	3.1
234.10320	2.0
235.07559	2.7
235.11223	7.1
236.08411	1.5
236.11949	2.9
237.09200	3.5
237.12724	11.7
238.09892	1.1
239.10754	3.5
239.14389	2.8
241.12204	11.8
243.11832	1.8
243.13811	4.8
244.12541	1.6
245.09654	3.6
245.13365	3.4
246.10522	2.0
246.14088	1.7
247.07529	2.0
247.11243	3.8
247.14977	2.1
248.08475	2.1
248.12042	1.9
249.09232	4.9
249.12802	3.3
251.10661	5.3
251.14401	3.1
253.12276	11.1
254.12778	1.7
255.13971	4.6
256.12448	1.1
257.13251	2.5
258.10544	1.2
259.11234	2.3
259.14890	2.5
260.08359	1.2
260.11945	1.0
261.09192	5.2
261.12769	3.4
261.16476	1.5
262.10040	1.3
262.13565	2.2
263.10693	8.8
263.14374	3.7
264.11450	1.9
265.12216	10.7
267.14047	4.9
269.12112	1.0
270.10388	1.2
271.13235	9.9
272.11981	1.4
273.09293	1.7
273.12805	3.6
274.09912	1.8
274.13452	2.2
275.10706	3.9
275.14432	2.7
277.09070	1.6
277.12332	5.6
277.15720	2.0
279.10617	1.1
279.13873	4.2
281.11905	2.9
281.15512	1.1
283.13501	3.5
285.09238	1.3
285.12677	2.1
287.10764	3.5
287.14310	3.1
288.15076	1.9
289.09207	1.4
289.12329	4.9
289.15869	2.9
291.10825	1.3
291.13916	3.7
293.15469	3.7
298.13431	1.2
299.10883	1.6
299.14325	1.8
301.12378	3.3
301.15820	1.6
302.13022	1.6
303.10678	1.4
303.13943	3.9
303.17395	2.0
305.11905	2.3
305.15427	3.2
306.16171	1.2
307.13663	1.7
307.17053	3.1
309.11267	1.5
311.10855	1.2
313.12241	2.0
313.15549	1.7
314.12769	1.1
315.10229	1.5
315.13794	2.4
316.14490	1.3
316.18088	1.1
317.12030	1.9
317.15479	4.4
319.13300	2.0
319.17078	2.8
321.15024	1.8
323.16794	1.9
325.12372	1.5
325.15973	1.4
327.13876	2.1
329.15579	1.3
331.13281	2.2
331.17096	4.2
333.15097	2.6
333.18701	2.0
335.16559	3.6
341.15305	2.4
343.17032	2.7
345.14911	1.5
345.18622	2.6
347.13004	2.6
347.16589	2.4
349.18158	5.0
351.16498	1.6
352.16937	3.8
353.17542	6.6
355.16965	1.8
357.18704	1.6
359.16299	4.9
360.13513	1.2
361.18304	5.5
363.20078	2.1
367.16745	1.7
367.20749	1.3
373.18103	1.2
374.18863	1.7
375.19516	1.7
377.17493	9.3
379.19226	2.3
381.21918	1.1
383.16577	2.8
385.17896	2.9
385.22241	1.8
391.19461	4.5
395.20377	2.2
399.23254	3.3
401.17245	1.8
403.18869	1.5
409.21762	6.4
413.21161	2.8
417.24390	3.4
419.20309	1.8
427.22641	21.8
428.22714	1.9
429.24347	2.0
431.22531	1.2
437.21204	10.3
444.23203	1.2
445.23788	32.3
445.29691	2.1
446.24121	2.8
455.22174	36.9
456.22726	2.7
463.25018	1.8
473.23230	100.0
474.23529	8.7
491.24411	67.4
491.31671	1.8
492.24677	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75257	2.2
53.03947	4.3
55.01876	8.8
55.05505	13.1
57.03450	3.8
65.03934	3.7
67.05506	25.5
69.03427	9.9
69.07067	6.5
69.57107	8.1
69.57520	3.7
71.04980	3.9
78.68199	2.3
79.05491	17.5
81.03406	4.6
81.07064	20.8
83.04968	15.1
83.08628	2.8
85.02944	2.1
86.09702	2.4
88.26701	2.2
91.05486	35.4
92.89452	2.1
93.07051	29.9
94.87740	2.3
95.04974	26.1
95.08598	26.7
95.56126	2.3
97.02898	11.3
97.06551	8.4
98.23383	2.5
99.04465	2.7
103.05490	4.5
105.07027	44.8
107.04973	8.1
107.08581	20.6
109.02897	2.7
109.06504	13.4
109.10180	10.1
111.04469	15.2
111.08089	7.2
112.63242	2.1
115.05449	7.3
117.07016	16.6
119.04930	4.3
119.08578	35.2
120.08099	2.8
121.06516	13.8
121.10155	7.8
123.04424	6.4
123.08080	12.8
123.11755	3.4
125.09637	3.1
128.06239	16.5
129.07004	15.2
130.07800	4.4
131.04982	3.6
131.08563	22.7
133.06523	7.5
133.10158	23.4
135.08073	11.4
135.11685	3.5
137.05991	10.1
137.09633	8.0
139.07568	4.0
141.07034	10.2
142.07776	20.0
143.08588	25.6
144.09323	5.0
145.06482	15.7
145.10143	19.4
146.07288	3.3
147.04428	5.5
147.08031	20.5
147.11674	15.1
149.06032	4.8
149.09647	6.9
151.03929	7.0
151.07536	11.8
153.06976	4.0
154.07777	7.1
155.08571	18.2
156.09358	6.5
157.06448	5.6
157.10129	33.5
158.07300	4.3
159.04396	4.2
159.08083	19.6
159.11693	13.4
160.08823	3.0
161.06026	7.1
161.09575	20.6
163.11227	4.8
165.05603	3.2
165.06973	10.8
165.09111	46.8
166.07813	4.3
167.08554	10.5
168.09337	5.0
169.06496	5.3
169.10146	12.5
170.07246	5.5
170.10814	2.1
171.08060	21.6
171.11729	6.0
172.08885	4.8
173.05994	5.7
173.09630	12.7
173.13326	3.9
175.07530	14.8
175.11195	24.4
177.09152	6.5
178.07849	4.6
179.07246	2.8
179.08504	14.0
180.09337	8.1
181.06523	3.0
181.10135	7.9
182.07195	2.5
182.10788	3.8
183.08086	9.3
183.11700	4.7
184.08865	2.7
185.06091	2.7
185.09613	24.1
185.13193	3.8
187.07584	6.6
187.11220	9.7
189.07486	1.9
189.09085	11.2
191.08716	2.7
191.10690	7.3
192.09367	8.8
193.10164	7.4
193.12265	3.6
194.10988	4.2
195.07979	13.0
195.11755	14.4
196.08821	4.8
197.05997	4.2
197.09622	10.8
197.13333	8.7
199.07561	11.7
199.11101	10.7
201.09117	16.7
203.07008	2.7
203.08775	4.5
203.10640	25.0
204.09459	3.7
205.06651	2.5
205.10197	7.8
205.12166	2.8
206.10934	4.7
207.08217	2.8
207.10077	2.4
207.11751	14.4
208.08858	5.6
208.12376	2.4
209.09660	11.5
209.13316	8.4
210.10425	6.3
211.07680	12.7
211.11224	7.0
213.05595	2.6
213.09131	9.3
213.12740	4.6
215.08717	2.6
215.10687	5.2
216.09306	3.3
217.10339	4.4
217.12209	3.0
218.10991	2.9
219.08089	4.5
219.09941	4.8
219.11754	9.9
220.08838	3.8
220.12460	4.4
221.09612	8.0
221.11774	8.8
222.10420	6.4
223.07597	6.2
223.11234	18.0
223.14815	3.8
224.08247	2.8
225.09212	5.4
225.12711	21.4
227.10710	4.1
229.10193	4.7
230.10913	2.9
231.09903	3.8
231.11855	5.5
232.08957	2.7
233.09526	3.7
233.13257	5.9
235.11157	10.5
236.11945	4.5
237.09123	4.0
237.12750	16.4
238.13287	4.1
239.10785	4.9
239.14331	3.2
240.48169	2.3
241.12271	12.1
243.11664	3.1
243.13826	4.1
245.09566	2.7
245.13283	7.3
245.15651	3.1
247.11273	6.2
247.14854	4.3
249.09093	4.4
249.12869	4.4
251.10677	6.5
251.14430	2.4
253.12297	19.8
255.13902	6.2
256.12479	4.0
257.13205	4.5
258.13983	3.6
259.11258	4.5
259.14935	4.5
260.12012	3.7
261.09109	4.5
261.12769	6.5
263.10785	5.2
263.14374	6.3
265.12305	12.4
267.14017	3.1
269.13153	3.5
270.13852	4.0
271.13031	14.3
273.12598	5.3
273.16415	2.5
275.14319	2.8
277.08652	2.7
277.12234	5.5
277.15720	3.9
278.12820	2.4
279.13968	2.6
280.12460	2.6
281.11661	6.0
283.13486	3.7
285.16287	3.3
287.10651	3.8
287.14224	5.5
289.12277	6.7
289.15579	3.4
291.10382	3.9
291.13892	4.5
293.11780	2.5
299.05502	2.7
299.14273	2.8
301.12338	3.1
301.15710	3.4
302.13168	2.8
303.13815	4.7
303.17395	4.0
305.11737	3.2
305.15433	3.1
307.13470	3.1
307.17010	2.8
313.15839	4.2
315.17212	3.4
317.15601	5.1
319.13486	4.6
319.16937	4.3
323.14099	3.4
327.17438	3.2
328.18103	4.2
329.15332	3.1
331.16992	5.8
333.15253	3.1
335.16345	3.6
339.17484	3.6
341.15491	3.4
345.14911	3.7
345.18680	5.4
347.12967	3.9
347.20020	3.2
349.18173	4.8
351.17401	2.5
356.17853	3.8
359.16406	5.9
361.18027	5.1
363.19568	5.2
373.18015	4.6
374.18628	3.2
375.19308	3.1
377.17984	4.0
381.22144	3.7
391.19077	4.4
399.23309	6.9
401.21021	6.1
409.21518	12.0
413.21057	3.6
417.24326	4.9
427.22778	31.2
429.24777	3.3
437.21173	7.3
444.22668	3.0
445.23642	40.9
446.24594	4.3
447.25092	3.0
455.22122	34.1
463.24994	3.2
473.23209	86.1
474.23276	10.9
491.24313	100.0
492.24625	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.243
Annotation	Lindenanolide F
Peak:m/z	Relative Intensity
53.03943	6.0
55.01879	7.0
55.05512	10.1
65.03939	4.8
67.05508	19.6
69.03436	8.3
69.18348	7.3
69.18768	12.9
77.36529	2.2
79.05501	12.3
81.03426	4.6
81.07054	15.3
83.04987	17.8
91.05495	31.6
91.08673	2.2
93.07053	30.2
95.04966	22.5
95.08602	17.8
97.02919	9.3
97.06570	6.3
99.04480	2.6
103.05484	5.7
105.07037	44.6
107.04963	5.0
107.08586	13.0
109.02840	3.5
109.06528	12.9
109.10167	2.9
111.04453	12.1
111.08123	3.5
113.06021	3.1
115.05473	8.9
116.06322	3.3
117.07023	14.5
119.04952	4.0
119.08583	32.6
121.06517	15.5
121.10128	4.4
123.04366	2.9
123.07260	2.2
123.08050	11.9
128.06163	14.4
129.07051	21.0
131.08588	20.8
133.06522	11.5
133.10129	14.5
135.08083	9.0
137.05992	12.1
141.07030	10.4
142.07771	21.1
143.08580	21.5
144.09355	5.5
145.06480	11.2
145.10121	13.0
146.07251	3.6
147.04385	4.5
147.08061	24.0
147.11684	14.5
149.06004	5.7
149.09612	4.9
151.07602	7.0
152.06245	4.1
153.07059	6.8
154.07759	5.2
155.08548	15.2
156.09380	4.1
157.06541	5.3
157.10153	30.3
158.07269	6.1
159.08055	27.9
159.11646	12.7
160.08817	6.5
161.06035	3.7
161.09613	20.8
163.11198	5.0
165.07062	8.7
165.09167	7.8
166.07816	5.4
167.08566	11.5
169.10152	11.0
170.07336	5.2
171.08040	20.2
171.11685	6.4
172.08861	5.7
173.06052	4.4
173.09631	18.1
174.06802	2.8
175.07579	23.0
175.11197	25.4
177.09122	6.9
178.07846	3.8
179.08659	10.0
180.09373	5.9
181.10172	10.1
182.07375	3.6
182.10890	2.9
183.08087	7.2
183.11720	8.7
185.09607	26.0
187.07628	3.9
187.11246	9.6
189.09138	8.9
191.08757	2.9
191.10738	7.9
192.09299	5.2
193.10184	10.2
194.10869	4.2
195.08147	10.8
195.11688	14.3
196.08810	4.6
197.06006	6.5
197.09698	11.0
197.13269	7.8
199.07553	17.3
199.11276	10.5
201.09019	15.5
201.12767	2.7
203.08800	5.7
203.10736	23.8
203.12216	2.7
204.09344	4.6
205.08414	2.8
205.10187	5.9
205.12190	2.9
207.11742	10.2
208.08908	3.5
209.09724	9.8
209.13368	5.2
210.10512	4.4
211.07552	20.6
211.11214	8.8
213.09200	7.2
213.12878	7.7
215.10710	3.2
217.10280	5.7
218.07344	3.0
218.10977	4.8
219.08188	3.9
219.11783	7.2
221.09607	6.3
221.11720	9.4
221.13495	3.8
222.10405	7.8
223.07607	4.3
223.11252	13.6
224.11978	6.7
225.09106	4.9
225.12695	18.7
227.10712	6.7
227.14349	3.4
229.10223	4.9
229.12234	3.9
231.11894	4.0
233.09717	6.1
233.13283	4.3
234.10510	2.7
235.07596	2.7
235.11171	11.6
236.11865	3.4
237.09198	5.9
237.12782	19.5
239.10777	4.4
239.14304	4.2
241.10222	3.1
241.12221	12.3
243.11757	3.6
243.13870	5.8
244.12389	3.2
245.13293	4.6
247.11319	7.0
247.14819	3.1
248.11969	4.0
249.09138	5.7
249.12827	5.7
251.10786	7.3
251.14461	5.1
252.11555	2.8
253.12296	27.2
255.13896	5.5
257.13409	4.7
258.10590	4.0
259.11270	5.0
259.14902	4.7
261.09161	4.3
261.12799	4.8
261.16412	2.7
262.13525	2.9
263.10669	6.2
263.14328	5.2
265.12238	12.9
271.13168	31.6
273.12909	5.1
275.10742	3.8
275.14273	4.9
277.12335	5.0
279.13791	5.2
281.11838	6.8
283.13568	5.7
287.10712	4.0
287.14383	5.1
288.11368	3.5
289.12402	3.5
289.15823	3.6
291.14063	3.3
299.14185	3.2
301.12320	4.6
303.13870	6.0
303.17361	4.2
305.15448	4.8
313.15942	3.6
315.14111	4.7
317.15317	4.9
327.17535	5.0
329.19067	3.8
331.16989	3.4
333.14917	3.4
341.15552	3.2
345.18494	4.7
347.16559	3.9
349.18240	4.8
357.18524	2.9
359.16522	6.6
361.18100	6.4
363.19867	3.1
373.18259	3.3
374.18677	5.8
377.17569	5.1
383.16208	2.8
391.19119	5.1
399.23276	5.3
409.21780	6.8
413.21188	4.5
417.24542	3.5
427.22742	28.1
428.23126	3.0
429.24768	4.5
437.21140	9.9
445.23880	49.8
445.29648	2.5
446.24234	4.5
455.22195	45.8
456.22311	4.7
473.23270	98.7
473.30060	6.1
474.23642	9.3
490.52496	3.1
491.24329	100.0
492.24780	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2428
Annotation	Lindenanolide F
Peak:m/z	Relative Intensity
53.03951	5.7
55.01863	3.6
55.05523	6.3
65.03930	1.8
67.05507	9.1
67.90807	1.1
69.03432	4.4
69.07056	4.3
69.14879	7.3
69.15281	2.2
71.05000	2.5
77.03899	0.9
78.07180	1.0
79.05505	12.4
81.03431	3.5
81.07063	9.3
83.04987	5.8
83.05399	1.0
83.08595	1.6
85.02899	1.3
91.05481	21.0
93.07047	12.4
95.04967	4.0
95.08596	10.0
97.02911	7.3
97.03420	1.2
97.06529	1.6
97.10188	1.9
99.04475	1.5
103.05477	1.8
105.07034	22.0
107.04943	2.9
107.08597	8.4
109.02880	3.9
109.06516	7.2
109.10170	3.0
109.19907	1.0
111.04458	4.1
111.08106	2.8
113.02348	1.7
115.05460	3.8
115.44170	1.0
117.07040	9.2
119.04951	1.0
119.08581	16.8
121.06503	4.9
121.10144	3.5
123.04456	1.3
123.08082	2.1
123.11724	1.3
128.06247	9.2
129.07007	14.3
130.07776	2.8
131.05006	2.0
131.08559	17.1
133.06500	6.5
133.10121	18.0
135.04427	1.7
135.08052	8.0
135.11682	2.2
137.05957	6.6
141.06990	7.6
142.07802	10.4
143.08574	15.6
144.05798	1.2
144.09262	1.9
145.06523	4.0
145.10143	14.3
147.04424	1.8
147.08061	5.1
147.11653	3.4
149.05984	1.9
149.09604	1.5
149.31544	1.3
151.07550	2.4
152.06308	1.0
153.06992	3.5
154.07843	3.0
155.08549	16.0
156.09341	5.8
157.06525	6.3
157.10114	14.6
158.07275	1.8
158.10756	1.2
159.04428	4.7
159.08046	7.9
159.11719	6.1
161.06004	3.5
161.09631	9.3
163.07590	1.8
163.11243	3.3
165.06963	6.5
166.07831	3.0
167.07211	1.3
167.08545	6.9
168.09340	3.2
169.06512	2.7
169.10132	12.3
170.10895	2.2
171.08040	8.9
171.11671	10.2
172.08760	1.2
173.06036	3.9
173.09621	8.1
173.13298	1.9
175.06216	1.2
175.07523	6.9
175.11220	4.3
177.09093	1.7
178.07776	3.3
179.08516	12.0
180.09340	4.6
181.04936	1.4
181.06485	1.8
181.10129	8.4
182.07257	2.1
182.10942	3.0
183.08051	4.2
183.11705	7.1
184.08789	1.6
185.06035	2.0
185.09622	10.9
185.13293	2.9
186.10143	2.0
187.07561	6.0
187.11234	4.7
189.09161	6.6
191.08592	3.2
191.10648	1.9
192.09337	4.8
193.10136	10.0
194.10864	4.6
195.06552	1.7
195.08095	5.9
195.11708	8.0
196.08751	1.5
196.12152	1.1
197.05965	2.6
197.09608	12.3
197.13269	6.4
199.07552	3.2
199.11136	7.2
199.14903	1.2
201.06581	1.1
201.09108	4.2
201.12724	2.3
202.07784	1.8
203.08549	4.2
203.10693	4.6
204.09343	1.8
205.10146	4.9
206.10909	4.3
207.08133	1.5
207.10065	1.5
207.11760	9.2
208.08847	2.5
209.09660	7.1
209.13303	5.9
210.10472	3.7
211.07607	4.3
211.11137	12.5
213.09203	6.2
213.12775	3.0
215.10583	6.6
216.09288	1.7
217.08488	2.5
217.10220	3.3
217.12190	2.2
218.10867	3.3
219.08128	2.7
219.11743	5.2
219.13626	2.0
220.12299	1.9
221.09648	4.6
221.13235	5.0
222.10388	4.0
223.07721	2.3
223.11243	9.3
223.14832	2.4
224.11980	2.5
225.09119	3.1
225.12682	8.2
227.10654	2.0
229.10332	2.5
229.12273	2.4
230.10909	2.5
231.09804	6.3
231.11891	3.7
232.12437	2.0
233.09644	3.1
233.13394	5.3
234.10466	2.0
235.07542	1.9
235.11266	8.7
235.14772	1.9
236.11790	1.8
237.09169	2.4
237.12733	11.5
237.16589	1.5
239.10686	4.3
239.14238	5.5
240.11589	1.4
241.10135	1.4
241.12257	3.7
242.10825	2.2
243.11661	3.8
243.13840	2.4
244.12393	2.6
245.09653	2.4
245.13351	6.3
246.10533	2.1
246.13951	2.3
247.11295	3.4
247.14790	4.4
248.11975	2.1
249.09038	2.6
249.12766	5.4
251.10681	4.0
251.14299	2.2
253.10036	1.5
253.12225	6.8
255.11656	2.2
255.13893	3.0
256.12592	1.9
257.13193	4.2
258.10648	1.4
258.14001	3.5
259.11166	2.7
259.14804	4.3
260.12051	3.6
260.15213	1.8
261.08990	1.5
261.12857	4.9
261.16443	1.9
262.13498	2.1
263.10675	3.7
263.14294	3.0
264.11594	1.3
265.12216	5.0
266.10733	1.6
267.11566	1.7
267.13974	3.2
268.12509	1.8
269.13242	2.3
270.14047	2.0
271.14883	4.0
272.11887	2.1
272.15631	1.3
273.09164	1.2
273.12656	2.8
273.16336	1.7
274.13705	1.8
274.17142	1.3
275.10898	2.5
275.14331	3.1
276.11420	1.5
277.12418	1.9
277.15665	2.1
279.14029	2.2
281.11612	6.6
284.15668	1.6
285.12787	1.7
285.16321	3.1
286.13229	1.6
287.14407	3.4
287.17810	1.5
288.14978	1.6
289.12363	2.2
289.15778	3.1
289.19122	1.4
290.16580	1.3
291.13812	3.4
291.17300	1.7
293.15414	2.9
295.14264	1.5
296.15445	1.7
297.12982	1.7
297.16342	3.8
298.13486	1.2
299.14246	3.2
299.17825	2.2
301.12332	2.2
301.15765	2.4
302.13232	1.6
302.16656	1.5
303.13806	3.0
303.17328	2.3
305.15439	3.4
307.13632	1.9
311.17874	2.4
312.15240	1.2
312.18826	1.7
313.15942	2.8
313.19449	1.7
315.13986	2.0
315.17468	2.7
317.15381	3.8
317.18802	1.8
319.20419	2.4
321.14990	1.8
323.17883	1.5
325.15820	2.3
325.19241	1.4
327.13940	1.7
327.17444	3.2
329.15274	1.7
331.16998	1.7
335.16467	2.7
335.19992	1.6
340.14633	1.4
341.18872	1.9
343.16885	2.7
343.20544	1.7
345.18500	4.7
347.20206	3.2
352.10190	1.3
356.21335	2.5
357.18341	2.5
357.22205	4.9
363.19504	9.4
365.21243	5.2
367.20776	1.6
369.18414	1.9
371.19989	1.8
373.21783	2.6
375.19489	4.1
377.20959	1.8
383.20175	1.4
385.21707	4.3
386.22122	1.9
387.19531	1.4
391.20413	1.5
399.23184	2.4
401.21170	1.8
403.23010	5.3
409.21652	6.8
427.22903	10.8
429.24380	1.3
431.22156	2.8
437.21362	5.3
445.23846	18.8
455.22192	19.7
456.22635	2.2
463.24921	2.7
473.23236	28.7
473.29147	2.1
474.23502	4.6
491.24252	100.0
491.29324	5.0
492.24533	12.0
492.31027	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2428
Annotation	Lindenanolide F
Peak:m/z	Relative Intensity
53.03938	3.0
55.01869	1.6
55.05511	7.8
57.03428	1.1
57.07065	0.6
59.04995	0.9
65.03944	1.5
67.05504	12.0
69.03426	4.5
69.07059	1.7
73.06505	0.7
77.03916	0.8
79.05487	8.1
81.03416	2.4
81.07054	8.3
83.04980	19.0
83.08606	0.7
91.05477	17.9
93.07042	18.7
95.04979	6.3
95.08604	19.9
97.02836	0.9
97.06528	2.7
99.04456	1.2
103.05429	1.9
105.03391	16.5
105.04501	1.9
105.07028	18.9
106.03692	0.8
107.04949	1.6
107.08596	11.5
109.06511	4.1
109.10172	3.7
111.04446	11.9
111.08098	8.0
113.06026	1.5
115.05465	5.5
116.06239	1.1
117.07027	8.7
119.04979	1.4
119.06069	0.7
119.08582	20.8
121.06491	5.1
121.10152	4.4
123.08087	4.5
123.11682	1.3
125.06010	0.7
125.09638	0.8
128.06224	5.5
129.07008	10.2
130.07799	2.7
131.04916	1.4
131.08572	15.0
133.06497	2.5
133.10135	14.4
135.08084	4.8
135.11679	2.7
137.05965	1.0
137.09592	0.8
139.07530	3.2
141.06961	5.2
141.09068	0.9
142.07784	6.6
143.04929	1.5
143.08571	10.8
144.05707	1.1
144.09282	2.2
145.06503	4.7
145.10133	10.9
147.08052	8.8
147.11703	5.7
149.06004	1.1
149.09639	2.1
149.13274	0.7
152.06232	1.7
153.05515	0.8
153.06989	3.4
154.07719	3.8
155.06116	0.8
155.08568	11.3
156.09412	3.6
157.06491	8.5
157.07561	1.0
157.10133	9.8
158.07243	2.3
158.10971	0.9
159.08070	8.0
159.11681	6.7
161.06001	0.8
161.09616	5.6
161.13289	2.1
163.07582	1.2
163.11214	1.5
165.05649	1.2
165.06972	6.0
166.07758	4.6
167.08546	6.3
168.05678	0.7
168.09322	3.1
169.06439	4.7
169.10126	7.6
170.10844	1.2
171.08063	6.7
171.11696	5.5
172.08766	1.4
173.05984	1.5
173.09619	9.5
173.13251	2.2
175.07608	0.8
175.11163	4.4
178.07762	4.6
179.08542	7.0
180.09297	2.9
181.06528	2.1
181.10104	6.9
182.07254	0.8
182.10925	2.0
183.08063	8.3
183.11662	6.6
184.08891	0.8
184.12468	1.0
185.05977	3.8
185.09628	6.6
185.13269	2.5
187.07570	4.4
187.11159	5.7
187.14900	0.9
189.05434	1.0
189.06953	0.8
189.09152	1.6
189.12753	3.7
190.07834	1.0
191.03433	0.9
191.07045	7.4
191.08595	1.1
192.09297	4.8
193.10135	9.5
194.10870	1.9
195.08014	5.1
195.11658	4.7
196.08820	2.5
196.12373	1.1
197.06065	1.0
197.09596	5.8
197.13268	4.3
199.07552	2.5
199.11217	3.6
199.14824	1.4
201.09148	5.4
201.12785	2.5
202.07819	1.1
203.08594	2.1
203.10507	1.2
204.09245	0.8
205.06621	0.8
205.10149	3.0
205.12215	1.3
206.10995	3.4
207.08066	3.0
207.11746	7.8
207.13739	1.3
208.08861	1.3
208.12312	1.2
209.09616	11.7
209.13338	2.2
210.10327	2.3
211.07602	4.9
211.11183	11.4
212.11884	1.1
213.05528	1.1
213.09108	3.0
213.12753	2.3
215.07005	2.9
215.08749	0.8
215.10693	1.0
216.09430	2.0
217.10152	4.0
218.10881	1.3
219.08066	1.6
219.11813	4.3
219.13808	1.3
220.08879	1.4
220.12527	1.7
221.09706	4.8
221.13174	4.9
222.10390	2.5
223.07558	3.0
223.11154	7.1
223.14738	1.4
224.11923	1.1
225.09192	4.5
225.12743	4.8
227.07039	1.3
227.10612	5.4
227.14319	2.2
229.08553	3.0
229.10223	2.5
229.12254	1.3
230.10921	3.2
231.06543	2.9
231.11850	4.0
232.08844	1.4
232.12521	1.7
233.09758	5.1
233.13318	3.3
234.10304	1.7
234.14107	1.0
235.11153	7.3
235.14876	1.8
236.11952	1.6
237.09111	6.3
237.12727	6.8
238.09900	1.2
239.10623	3.7
239.14226	3.9
241.08444	1.4
241.12285	2.3
242.10889	1.8
243.11856	3.4
244.09222	0.7
244.12369	4.0
245.07683	0.9
245.09799	1.6
245.13268	4.3
245.15416	1.3
246.10313	1.1
246.13918	1.8
247.11218	3.6
247.14790	3.2
248.08328	1.0
248.11977	1.3
249.09001	3.8
249.12737	3.6
249.16348	1.2
250.09645	0.9
251.10684	5.0
251.14307	1.1
252.14980	0.8
253.08578	2.2
253.10124	0.7
253.12241	4.7
254.10909	0.8
255.09880	4.3
256.07300	2.5
256.12512	1.7
257.13266	3.4
258.10419	1.0
258.14035	2.7
259.11316	3.8
259.14838	4.4
260.12003	1.6
260.15479	0.8
261.09052	1.4
261.12738	4.5
261.16464	1.9
261.70044	0.8
262.13400	2.2
263.10699	4.3
263.14273	2.5
264.14990	0.8
265.12173	2.3
265.15775	1.1
267.09967	1.4
269.13214	2.7
270.14087	2.4
271.11285	1.8
271.14789	4.2
272.11911	2.4
272.15399	1.3
273.12717	3.2
273.16315	1.9
274.13553	1.5
275.10693	2.2
275.14267	4.8
276.14935	1.3
277.08621	0.8
277.12234	2.0
277.15948	2.9
279.10184	7.4
279.13504	1.2
279.17526	0.9
281.11826	3.1
282.14026	1.4
283.11133	0.8
283.14630	0.9
284.15500	1.6
285.12640	2.5
285.16290	2.4
286.13654	1.1
286.17026	1.1
287.11215	0.8
287.14252	5.1
287.17587	1.5
288.15002	2.2
289.12238	2.4
289.15872	4.8
290.16470	1.0
291.10657	0.8
291.13910	1.1
291.17267	0.8
293.11957	1.6
293.15240	0.9
295.14789	2.0
296.15619	1.5
297.13150	1.4
297.16415	2.5
298.13394	1.7
299.14075	3.0
299.17941	2.6
300.15158	1.4
301.12164	1.9
301.15848	1.8
303.13773	2.6
303.17233	1.5
304.11026	0.7
304.14423	1.1
305.11874	1.0
305.15369	2.5
305.18805	1.4
307.13528	0.7
307.16977	1.6
311.14288	1.0
311.17908	0.9
313.12354	1.3
313.15591	4.6
314.13089	1.1
314.16656	1.0
315.13776	3.2
315.17429	3.7
317.11670	1.2
317.15536	1.3
317.19089	2.4
319.13412	1.8
319.16989	1.7
324.15015	1.2
327.17358	1.3
328.18265	1.7
329.11920	0.8
329.15414	1.2
329.19006	1.5
331.13403	1.6
331.16940	3.3
332.14142	1.0
333.14868	3.8
333.18561	2.0
335.20114	1.1
337.15112	1.2
339.17215	1.0
341.15482	3.8
343.16937	1.7
345.14798	2.0
345.18582	1.6
346.15479	1.0
347.20340	0.8
351.15970	2.6
352.16617	1.0
355.16592	0.9
356.17560	2.3
359.16476	4.3
361.18063	2.2
363.20081	0.8
367.20642	1.6
374.18796	1.9
375.19641	1.1
377.17538	3.8
379.18732	1.3
381.21994	2.2
391.20035	1.6
392.19907	1.7
397.18073	0.8
399.23215	1.9
401.24765	1.1
403.22574	0.9
409.21631	6.0
411.23282	1.6
413.21259	1.1
414.21640	0.8
415.18985	1.2
417.24127	2.3
419.25797	1.0
427.22662	19.5
428.23090	1.3
429.24316	5.6
437.21057	5.1
438.21454	0.9
445.23758	14.3
446.23975	1.3
447.25394	3.2
455.22189	18.6
456.22241	1.9
463.24768	1.1
473.23215	73.0
474.23532	8.1
491.24243	100.0
492.24533	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2428
Annotation	Lindenanolide F
Peak:m/z	Relative Intensity
53.03941	5.7
55.01870	4.9
55.05498	3.2
59.05011	1.4
65.03918	2.0
67.05502	8.8
68.40786	1.1
69.03429	6.1
69.07066	3.1
69.24926	2.7
69.25329	6.0
71.04974	1.2
79.05502	11.3
81.07057	21.9
83.04985	4.1
83.08611	1.9
85.02899	2.9
85.06558	3.5
91.05477	17.1
93.07031	12.7
95.04960	8.0
95.08607	9.2
97.02888	11.2
97.06530	2.3
98.22652	2.9
99.04426	2.1
103.05485	1.4
105.03416	3.9
105.07035	18.4
107.04966	3.7
107.08583	8.5
109.02871	2.4
109.06513	11.5
109.10177	4.0
111.04458	3.4
111.08070	3.4
113.02373	3.7
115.05471	5.2
117.07015	7.8
119.08574	14.8
121.06498	5.4
121.10165	3.7
123.04437	2.4
123.08099	2.7
125.09675	2.4
127.03948	2.0
128.06264	4.1
129.06998	13.0
130.07788	2.2
131.08563	11.7
133.06552	6.5
133.07434	1.4
133.10135	9.0
135.08052	6.6
135.11723	1.7
137.05977	16.7
137.09612	1.5
139.07579	2.2
139.11217	1.4
141.06978	11.3
142.07796	5.3
143.08540	14.8
144.05716	1.6
145.06493	6.1
145.10107	10.4
147.08060	10.2
147.11691	1.8
149.09650	2.7
151.07536	2.6
152.80719	1.6
153.05688	1.6
153.06993	4.8
154.07770	4.9
155.08557	22.7
156.09343	6.2
157.06508	8.0
157.10104	11.7
159.08037	11.0
159.11703	4.9
160.08838	1.4
161.06023	2.2
161.09587	7.7
163.07561	3.3
165.07018	7.9
165.09061	8.1
166.07809	4.2
166.09354	1.6
167.08537	11.8
168.09328	2.9
169.06470	2.0
169.10127	13.3
170.10898	1.6
171.08014	9.0
171.11653	9.2
173.09641	6.1
173.13281	6.5
175.07553	2.8
175.11234	3.1
176.08301	1.3
178.07834	4.6
179.08510	12.7
180.09299	6.4
181.06491	5.3
181.10083	12.6
182.07294	2.5
182.10854	3.0
183.08072	4.7
183.11673	7.1
184.08780	2.1
185.09671	5.9
185.13272	2.4
187.07590	3.5
187.11224	2.7
189.09155	3.5
191.08571	7.2
192.09387	5.1
193.10129	13.1
194.07211	2.1
194.10925	5.2
195.08043	13.8
195.11697	10.8
196.08844	4.5
196.12502	3.7
197.09598	13.3
197.13324	7.3
198.10231	1.6
199.07608	2.0
199.11195	15.6
201.09161	2.0
201.12759	3.9
202.07858	2.7
203.08516	4.7
203.10555	2.8
204.09283	3.2
205.10172	7.6
206.10889	5.9
207.08125	2.8
207.11716	12.4
208.08890	3.7
208.12712	1.4
209.09671	10.6
209.13249	11.4
210.10358	1.6
210.14018	2.5
211.11211	5.6
211.14792	7.5
213.09178	2.3
213.12762	3.1
215.08577	3.6
215.10690	2.9
216.09285	4.1
217.08511	1.5
217.10207	8.3
217.12148	2.4
218.10907	5.3
219.08142	4.2
219.11659	7.2
220.08755	1.7
220.12509	2.7
221.09660	5.0
221.13206	9.3
222.10414	2.7
222.13889	1.7
223.07401	1.7
223.11121	6.7
223.14819	3.0
225.09058	2.5
225.12758	4.0
227.10751	1.9
227.14459	1.6
228.09230	2.3
229.10182	5.8
229.12244	2.0
230.10930	6.1
231.08159	2.4
231.11678	8.8
232.08946	2.0
232.12468	4.1
233.09641	5.7
233.13304	5.0
234.10292	3.4
235.11198	3.7
235.14824	4.1
236.11945	2.6
237.09067	3.2
237.12695	11.5
238.13474	4.1
239.08521	1.7
239.10695	3.5
239.14278	11.3
241.10191	3.7
241.12407	2.4
242.10828	2.3
243.11765	4.5
244.12549	3.6
245.09604	6.7
245.13351	7.3
246.10498	4.1
246.13979	3.2
247.11134	8.5
247.14830	5.5
248.12050	2.5
249.12613	6.7
250.13503	1.7
251.10556	2.2
251.14339	6.6
253.10031	2.3
254.10767	2.1
255.08025	1.5
255.11644	3.0
255.13895	8.1
256.12317	2.1
256.14627	1.7
257.09570	2.3
257.13287	5.6
258.10510	2.4
258.13953	2.2
259.11288	7.5
259.14832	5.8
260.11850	2.9
260.15628	2.8
261.09229	1.4
261.12775	8.5
261.15891	2.0
263.10730	2.8
263.14383	3.9
263.18030	1.9
265.12411	2.1
265.15918	2.5
267.11520	1.8
267.13879	5.8
268.12439	2.1
269.13107	1.9
270.10440	2.4
271.11148	2.7
271.14954	3.0
272.11963	3.6
273.12805	5.6
273.16281	2.1
274.13464	1.8
275.10828	3.0
275.14279	5.8
275.18008	1.5
277.12216	4.0
277.15802	3.6
279.14035	2.2
279.17508	2.2
280.12411	1.8
283.11206	2.5
283.14740	2.9
284.11917	2.1
284.15454	2.6
285.12756	5.1
285.16321	1.8
286.13556	3.1
287.10928	2.5
287.14331	7.8
287.17636	2.9
288.11923	1.5
288.15002	1.7
289.12439	2.3
289.15836	4.7
289.19147	2.1
290.16660	2.1
291.14032	2.9
291.17435	3.2
293.15402	1.9
296.11969	1.6
297.12573	2.2
297.15958	2.0
298.13693	2.3
299.14264	4.0
299.17896	3.0
300.15103	1.9
301.15820	3.7
301.19354	2.6
302.16483	2.0
303.13837	3.6
303.17361	3.1
304.14700	1.7
305.15457	3.5
307.17123	3.0
309.12775	1.9
313.15979	1.7
315.14069	2.8
315.17520	4.7
317.15393	4.8
317.19061	4.2
318.16251	2.1
319.20636	2.6
325.15860	2.1
327.13882	2.1
327.17508	3.5
329.15530	2.1
329.18692	6.2
331.20547	3.5
333.18607	3.7
335.16742	2.5
335.19946	2.8
339.17450	1.8
343.17105	3.1
345.18469	7.6
346.18988	2.2
347.20020	7.3
348.20749	1.9
357.18494	4.9
358.19193	3.2
361.18149	3.2
361.21991	1.8
363.19678	6.1
365.21286	2.6
367.16940	2.0
375.19461	9.0
376.19965	1.9
381.22290	2.4
393.20898	3.6
399.23062	2.4
407.22150	2.5
409.21606	6.4
411.23459	2.0
413.21472	2.2
417.24292	1.8
419.18823	1.9
427.22784	9.5
431.17972	2.0
437.21152	5.8
445.23801	22.3
446.24487	2.3
455.22150	22.0
456.22699	2.1
463.24698	15.8
473.23306	52.1
473.29767	1.8
474.23508	3.8
491.24280	100.0
492.24762	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.5
55.01867	5.6
55.05507	14.2
57.07076	2.3
62.68091	1.5
65.03938	3.6
67.05501	19.5
68.00249	1.6
69.03422	10.6
69.07061	6.4
71.04984	3.7
71.18542	2.6
71.52979	1.5
74.24227	1.8
79.05489	20.7
81.03413	3.7
81.07046	40.9
83.04979	15.6
85.02880	1.8
85.06548	3.7
91.05482	26.1
93.07040	19.3
95.04975	15.3
95.08599	21.2
96.08859	1.7
97.02890	6.4
97.06535	7.3
97.10162	2.9
99.04449	5.3
102.51516	1.6
103.05485	2.8
103.91388	1.7
105.03400	3.9
105.07034	25.0
107.04960	5.8
107.08595	19.1
109.02880	11.3
109.06516	26.9
109.10149	11.9
111.04439	28.8
111.08088	5.6
113.02359	2.1
115.05469	6.6
116.06270	2.9
117.07036	9.3
119.04975	2.7
119.08578	21.4
121.06512	10.4
121.10157	8.2
123.04401	4.4
123.08063	5.3
123.11723	3.3
124.30495	2.0
125.06012	6.1
125.09682	3.8
128.06192	9.2
129.07004	16.4
131.04881	2.6
131.08566	17.3
133.06512	12.9
133.10146	14.1
135.08032	14.7
135.11711	3.8
137.05968	34.4
137.09621	6.9
139.07530	2.9
139.11153	2.6
141.06970	9.0
142.07782	9.2
143.08586	17.3
145.06500	7.9
145.10112	13.1
147.08049	13.8
147.11717	5.5
149.06018	3.1
149.09625	12.4
151.03850	1.7
151.07555	10.5
151.11156	2.7
153.05536	2.1
153.06961	4.7
154.07784	5.2
155.08551	24.4
156.09343	10.4
157.06546	10.2
157.10106	12.9
158.07278	4.3
159.08064	14.1
159.11708	6.4
161.05968	5.3
161.09590	8.6
163.07547	5.3
163.11221	4.4
165.05772	2.9
165.07027	12.6
165.09117	50.4
166.07899	4.4
166.09467	7.6
167.07039	5.9
167.08578	14.3
167.09703	2.0
168.09349	2.8
169.06500	3.6
169.10101	21.2
170.07248	2.0
170.10765	2.5
171.08078	9.3
171.11671	17.7
172.08731	2.2
173.06049	1.9
173.09616	9.4
173.13251	4.5
175.07497	8.3
175.11186	3.9
177.09055	4.6
178.07758	3.2
179.08563	19.8
180.09306	9.0
181.05003	3.2
181.06490	5.1
181.10109	14.5
182.07188	2.1
182.10916	2.6
183.08090	6.2
183.11713	8.2
184.08838	4.8
185.05931	2.0
185.09622	8.7
185.13243	3.3
187.07556	4.1
187.11224	5.0
189.09143	7.0
191.06999	3.5
191.08626	5.4
191.10716	3.4
192.09315	9.5
192.26357	1.8
193.10146	18.3
194.07312	3.4
194.10899	11.0
195.06415	3.3
195.08044	23.9
195.11699	23.9
195.13394	2.8
196.08844	7.9
196.12494	2.2
197.06096	1.8
197.09647	15.0
197.13277	8.5
198.06856	1.7
198.10393	2.6
199.07562	3.6
199.11154	21.7
199.15030	2.2
201.09140	2.9
201.12779	3.5
201.16357	2.5
202.07733	2.7
203.06969	2.4
203.08582	4.9
203.10591	3.0
204.09390	4.6
205.10120	11.1
205.12057	2.8
206.10912	6.3
207.08113	3.8
207.11693	16.4
208.08830	5.6
208.12518	5.3
209.09717	13.0
209.13226	23.8
210.10362	5.1
210.14000	5.3
211.11192	9.7
211.14795	7.6
213.09006	3.7
213.12709	4.0
215.08615	4.6
215.10660	2.5
216.09308	4.3
217.08383	2.6
217.10164	7.7
217.12061	2.2
218.07339	3.1
218.10905	7.0
219.08055	6.5
219.11790	13.7
220.08803	2.1
220.12389	4.7
221.09697	12.9
221.13246	11.3
222.10371	7.1
223.07491	1.7
223.11226	12.6
223.14758	8.4
224.11880	2.2
225.12837	3.7
227.08621	3.2
227.10699	3.4
227.14485	2.3
228.09605	2.3
229.10147	7.9
230.10930	5.0
231.08110	3.4
231.11781	9.6
232.08812	3.1
232.12401	3.4
233.09695	10.1
233.13297	12.5
234.10310	3.7
234.14066	3.0
235.11243	14.5
235.14828	6.0
236.11963	6.2
237.09140	3.0
237.12775	32.5
238.13335	10.0
239.10716	4.3
239.14235	9.5
241.10049	3.3
241.12263	3.5
242.10823	4.0
243.11745	7.3
244.08681	2.0
244.12506	5.2
245.09624	8.6
245.13309	11.0
246.10410	7.6
246.14096	4.4
247.11153	16.3
247.14857	5.4
248.11989	5.9
249.12769	13.0
250.13412	2.3
251.10669	2.8
251.14305	15.8
252.15039	4.2
253.09993	2.9
253.12296	4.4
253.15895	5.2
255.13832	12.5
256.12268	3.3
257.09668	4.8
257.13232	6.4
257.15649	2.5
258.10425	5.7
258.13931	4.2
259.11142	14.2
259.14835	9.6
260.11829	8.3
261.12814	14.9
261.16476	3.1
262.13403	4.3
263.10611	3.3
263.14279	9.1
265.12292	4.6
265.15921	1.9
269.09528	2.6
269.13181	4.4
270.10696	1.7
270.14026	4.7
271.11084	5.0
271.14877	4.9
272.11978	3.8
272.15445	4.2
273.10056	1.8
273.12772	11.7
273.16373	3.2
274.13425	4.5
275.10681	7.6
275.14291	12.7
276.11292	4.3
277.12198	5.0
277.15973	5.1
279.13718	5.7
279.17456	4.9
283.11249	3.4
283.14728	3.5
284.12021	2.5
285.12820	9.3
285.16241	3.8
286.13712	2.7
286.16849	2.2
287.10840	3.5
287.14340	8.2
287.17984	2.4
288.11548	3.7
288.15039	5.2
289.12280	5.7
289.15921	8.0
290.13086	6.1
290.16431	4.0
291.13806	7.5
291.17392	4.0
293.15506	2.1
297.12756	2.8
297.18570	6.1
298.13547	2.1
299.14426	4.5
300.14984	2.3
301.12241	5.5
301.15814	5.6
302.16547	3.3
303.13806	11.5
303.17410	7.7
304.14484	3.0
304.18042	3.1
305.15463	6.9
305.18854	3.7
306.16159	2.1
307.13367	2.2
307.16766	2.5
310.13565	2.9
313.12662	1.9
313.15930	6.4
314.13110	3.0
314.16608	2.7
315.13861	3.6
315.17365	5.8
317.15387	6.2
317.18951	7.0
318.16025	10.2
319.17111	8.9
319.20316	3.4
321.15073	2.6
321.18546	5.5
327.17438	2.8
329.15259	2.7
329.18933	4.3
331.16953	5.0
332.17734	2.3
333.15091	2.9
333.18521	17.3
335.20142	9.0
341.15195	2.8
343.17130	3.5
345.18420	23.4
347.20044	9.0
356.17780	2.8
357.18530	4.2
358.19424	2.1
359.20074	3.4
361.17932	8.7
363.19528	33.5
364.19931	2.3
364.85510	2.4
367.16730	2.9
374.19055	2.7
375.19464	12.3
381.20605	2.6
389.21542	2.4
393.20657	4.3
409.21713	4.0
413.21399	3.7
427.22781	13.4
429.24319	2.4
431.22632	9.4
437.21155	8.2
443.22104	10.1
445.23764	33.2
446.23886	3.7
449.23126	3.8
455.22168	33.6
456.22797	3.4
461.23154	7.2
463.24774	63.7
464.25369	8.5
473.23224	57.7
474.23480	6.3
491.24243	100.0
492.24634	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.4
53.03946	4.7
55.01859	2.9
55.05516	7.2
57.03441	3.6
57.33241	1.0
61.47035	1.3
63.19870	1.2
65.03944	3.3
67.05503	20.6
67.74554	1.4
69.03408	2.1
69.05939	10.5
69.06337	2.8
69.07070	6.0
71.04996	1.6
71.08600	1.4
77.03891	1.3
79.05490	33.5
81.03423	15.4
81.07056	23.5
83.04984	8.3
83.08614	6.7
85.02923	5.7
85.06503	1.2
91.05482	38.9
93.07043	22.5
93.68211	1.3
95.04974	13.2
95.08613	11.9
97.02898	3.0
97.06530	2.4
97.10184	2.6
98.23319	2.1
99.08128	1.3
103.05469	2.6
105.07024	38.3
107.04947	7.2
107.08594	11.2
109.06525	4.3
109.10173	3.6
111.04425	1.8
111.08092	4.0
112.16119	1.2
113.02364	1.6
115.05439	4.0
117.07025	11.3
119.04955	1.5
119.08572	27.5
121.06507	4.9
121.10121	6.7
123.08062	3.0
123.11648	1.9
125.09605	1.9
128.06212	8.0
129.07004	17.9
131.08571	16.2
133.06526	5.7
133.10100	9.4
135.08080	8.4
135.11697	2.1
137.05948	1.9
137.09644	1.7
141.07040	7.1
141.09143	1.5
142.07771	13.0
143.08562	17.3
145.06519	4.0
145.10129	13.8
147.08038	4.7
147.11705	12.9
148.85677	1.3
149.09622	2.7
151.07509	2.0
153.07005	3.6
154.07747	4.6
155.08542	22.6
156.09328	7.7
157.06491	10.5
157.10112	21.5
158.07268	2.4
159.08089	8.8
159.11682	5.0
161.09628	5.3
161.13219	3.8
163.11122	1.8
165.06964	7.4
166.07750	2.8
167.08533	9.7
168.09323	2.8
169.06456	1.5
169.10117	19.7
170.10793	1.3
171.08060	5.4
171.11699	15.3
172.08798	1.4
173.09663	4.6
175.11159	5.4
178.07805	3.3
179.08569	11.9
179.14386	1.5
180.09364	3.7
181.06464	2.3
181.10124	7.7
183.08063	5.4
183.11732	5.8
184.08844	2.4
185.09653	7.6
185.13252	1.7
187.11169	3.3
189.06931	1.6
189.12773	4.7
191.08635	3.0
192.09360	5.3
193.10144	11.4
193.12257	11.1
194.10835	5.3
195.08086	7.6
195.09697	1.2
195.11649	6.8
196.08812	2.4
197.09583	13.6
197.13316	4.4
198.10307	1.5
199.11183	14.8
200.11911	1.8
201.12769	3.0
202.07762	1.3
203.08594	2.4
204.09320	1.9
205.10188	4.8
206.10919	7.5
207.07967	1.6
207.11708	14.4
207.13852	5.7
208.08864	2.1
208.12450	3.2
209.09653	4.6
209.13289	11.3
210.10347	2.6
210.13869	1.5
211.11211	3.6
211.13315	7.0
211.15045	1.6
213.12808	4.2
215.08678	2.4
215.10670	5.3
216.09319	1.9
216.11330	1.7
217.10149	5.3
218.10901	2.5
219.11617	5.7
220.12460	1.9
221.09691	2.5
221.13229	10.7
222.10318	2.1
223.11169	4.5
223.14743	3.2
225.09317	1.6
225.12769	3.7
227.10715	2.2
229.10089	3.4
230.10960	2.2
231.11693	4.8
232.12410	1.9
233.09653	3.4
233.13225	6.0
234.13982	1.7
235.11130	3.7
235.14845	3.9
237.12743	13.9
237.16380	1.7
238.13393	1.9
239.14328	10.1
241.10159	1.6
242.10883	2.0
243.11653	6.5
244.12416	2.8
245.09479	2.5
245.13304	5.3
246.13974	1.5
247.11325	3.0
247.14828	4.6
249.12762	4.9
249.68927	1.3
251.14302	4.3
253.12306	3.0
255.11504	2.1
255.13826	5.5
256.12506	3.4
257.13223	5.0
258.13925	2.1
259.11118	3.3
259.14880	5.3
261.12674	2.0
267.11420	1.7
267.13815	7.1
267.16168	2.4
269.13123	4.4
270.13968	2.5
271.11261	1.3
271.14835	4.7
273.12732	2.0
273.16330	2.1
275.14438	2.5
277.21606	1.2
281.13214	2.7
281.17493	4.5
283.11139	1.4
283.14633	1.6
284.11877	1.8
284.15567	2.3
285.12668	3.2
285.16287	4.3
286.16937	1.7
287.11035	1.3
287.14352	3.3
287.17679	2.8
289.15942	3.4
289.19302	1.6
295.14801	1.8
296.11972	2.6
296.15167	1.7
297.12921	2.3
297.16135	2.9
298.13452	1.8
299.14374	3.9
299.17792	2.8
301.15884	1.5
301.19440	2.7
303.17419	2.0
311.17871	1.9
312.15063	2.9
313.15857	4.8
313.19305	2.7
314.16223	1.7
315.17407	3.0
317.15543	1.8
325.15961	2.9
327.17371	3.0
327.20932	2.7
329.18900	3.3
333.18307	2.9
340.18210	2.1
341.19037	8.1
342.19739	2.0
343.16849	2.1
343.20612	1.9
347.20187	2.9
349.21692	1.7
351.25247	4.0
353.18716	1.3
355.20508	6.6
356.21307	3.2
357.18335	1.7
357.22076	13.7
358.22586	1.5
359.20059	2.5
371.19922	3.6
373.21646	3.9
377.21121	3.0
385.21573	8.8
386.22058	3.5
403.22641	20.0
404.22971	1.7
427.22574	1.5
431.22128	2.2
445.23749	5.5
446.24698	1.8
459.21228	2.2
463.24771	4.1
473.23135	20.8
473.29019	5.8
474.23587	8.2
489.22510	2.1
491.24210	100.0
491.29852	6.8
492.24521	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.9
53.03945	4.7
55.01889	3.3
55.05501	5.9
56.02982	1.7
57.03443	1.9
58.66121	1.6
65.03939	4.5
67.05507	27.9
69.03436	11.6
69.07069	7.2
71.04990	1.9
71.30959	2.8
79.05498	36.5
79.05960	1.8
81.03422	2.3
81.07062	30.1
83.04977	5.0
83.08617	1.6
84.03732	1.5
85.02914	4.9
88.24427	1.7
91.05485	37.2
91.06007	3.3
93.07050	18.2
95.04969	25.5
95.08621	10.2
97.02891	16.8
97.06530	8.3
99.04472	2.9
103.05470	7.1
105.03391	2.7
105.05213	1.7
105.07037	35.1
107.04952	4.7
107.08601	23.7
109.02863	2.8
109.06524	20.0
109.10176	5.8
111.04479	5.6
111.08095	1.8
113.02383	9.1
115.05461	8.5
116.06268	3.1
117.07029	13.1
119.04961	5.2
119.08578	24.1
121.06528	5.8
121.10149	6.4
123.08078	4.3
124.86665	1.7
125.06028	6.1
127.03943	6.6
128.06227	18.4
129.07007	21.3
130.07799	6.0
131.08592	20.4
133.06491	53.1
133.10117	11.4
134.06854	2.2
135.08060	9.9
137.05977	18.3
141.07001	24.0
142.07793	20.9
143.08574	28.9
144.09360	2.7
145.06499	6.7
145.10126	9.8
147.08067	18.3
149.05927	2.2
149.09636	7.3
152.06195	3.3
153.05482	7.8
153.07002	12.3
154.07785	13.5
155.08562	34.4
156.09341	22.7
157.06514	3.7
157.10121	26.9
158.10977	3.1
159.08055	11.2
159.11714	7.3
161.09630	8.1
163.07497	2.4
165.06966	15.6
166.07771	7.9
167.08575	18.7
168.09430	9.7
169.06496	4.7
169.10147	50.7
170.10869	4.9
171.08110	11.6
171.11708	27.0
173.09660	5.0
173.13300	5.1
175.11223	2.1
177.09073	1.9
178.07733	8.5
179.07123	3.1
179.08562	20.1
180.09325	11.9
181.10120	32.5
182.07285	5.8
182.10844	7.8
183.08070	6.7
183.11688	15.6
184.08789	2.7
184.12473	2.2
185.09630	11.2
185.13303	4.5
186.10326	2.0
187.07541	5.2
187.11174	5.5
189.09146	2.9
190.07753	1.8
191.08501	9.0
192.09378	9.2
193.10127	17.4
194.10887	15.9
195.08084	6.7
195.11720	23.3
196.08919	3.7
196.12473	12.9
197.09608	23.4
197.13275	17.4
198.10300	4.8
199.11148	20.3
201.12798	6.1
202.07849	3.6
203.08655	4.1
204.09384	3.8
205.10117	8.7
206.10913	11.0
207.08098	4.1
207.11693	20.4
208.08907	3.1
208.12473	5.0
209.09685	11.2
209.13249	22.9
210.10303	3.7
210.13989	8.1
211.11302	8.7
211.14832	24.2
212.11671	2.1
212.15588	5.1
213.16319	3.7
215.08647	4.2
215.10597	3.3
216.09354	5.0
217.10156	6.5
218.10870	5.2
219.08217	3.2
219.11789	11.3
220.12442	5.2
221.09682	7.8
221.13161	15.7
222.10374	6.4
222.13956	2.1
223.11177	14.8
223.14780	8.0
224.11969	17.3
224.15457	2.6
225.12726	4.6
229.10139	6.9
230.10960	6.9
231.11752	10.0
232.12506	5.1
233.13348	8.9
234.10416	3.2
234.14101	2.9
235.11150	7.5
235.14851	5.9
237.12756	21.5
237.16302	3.4
238.13417	12.0
239.14313	100.0
240.14780	8.8
242.10857	3.0
243.11763	9.1
244.12563	6.2
245.13350	10.3
246.13953	7.1
247.11272	4.7
247.14880	8.4
248.11890	2.5
249.12799	7.6
249.16425	2.8
251.14316	7.5
255.14056	3.6
256.12442	4.1
257.13370	9.0
258.14059	3.3
259.11111	3.6
259.14920	8.3
260.15613	6.0
261.12820	4.9
261.16403	7.2
262.13431	1.8
262.17120	3.4
263.14246	5.4
263.17838	2.5
265.15909	3.8
267.13943	3.0
271.14810	7.5
272.15555	4.8
273.12857	3.0
273.16296	4.2
274.13525	2.7
274.17273	5.2
275.14386	4.3
275.17767	2.8
276.18576	2.3
277.15936	4.2
278.16672	2.7
279.17450	2.3
280.18335	2.3
283.14502	2.5
286.16937	3.3
287.14767	1.9
287.17792	8.9
288.14914	2.5
289.15854	5.2
289.19510	10.0
290.16656	2.8
290.20197	2.8
291.17560	3.3
292.18173	3.5
293.19095	3.2
299.18042	3.2
300.14951	2.5
301.15793	4.6
301.19513	5.8
302.16809	3.4
302.20206	4.1
303.17447	6.5
305.15341	2.8
305.18896	3.7
307.20493	14.5
308.21097	2.2
315.17462	6.4
317.19019	10.7
318.16141	2.3
318.19763	5.1
319.16928	2.4
319.20526	4.7
321.18497	3.5
329.19061	7.0
330.19791	7.7
333.18466	3.7
335.19849	9.3
336.20703	3.4
343.16742	3.0
345.18509	15.3
346.19040	3.0
347.20023	8.0
349.18024	5.9
363.19608	3.8
364.20132	5.3
376.20383	4.7
377.21191	2.8
415.22720	7.7
417.24570	2.7
427.22751	1.9
433.23761	43.6
434.24222	4.0
443.22147	6.2
445.23938	9.2
455.22318	11.9
461.23199	10.7
463.24854	4.4
471.21735	13.0
473.23120	15.4
489.22717	17.4
491.24249	37.2
492.24338	3.3
509.25385	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.01860	3.5
55.05490	4.5
57.03416	2.1
58.37770	2.0
65.75587	1.9
67.05502	12.0
69.02747	16.3
69.03398	8.7
69.07049	4.8
79.05499	15.5
81.03392	4.4
81.07052	18.8
83.04944	5.6
83.08582	2.2
85.02872	4.5
85.06517	2.0
86.03661	1.8
91.05487	25.6
93.07037	14.1
95.04926	7.9
95.08585	11.5
97.02361	1.8
97.02879	18.6
97.06490	2.2
103.05476	3.2
105.03363	3.8
105.07040	20.7
107.04929	2.5
107.08624	9.9
109.06458	7.0
109.10149	2.6
111.04402	3.8
111.08078	2.1
113.02328	3.5
115.05395	5.8
116.06146	2.6
117.07031	9.0
119.04937	1.8
119.08575	17.8
121.06454	5.4
121.10138	3.9
123.08057	2.7
127.03794	2.6
128.06190	9.8
129.07018	11.6
131.08577	15.0
131.73509	1.7
133.06442	5.2
133.10071	8.4
135.08025	4.3
137.05974	9.2
141.06987	9.4
142.07735	9.6
143.08551	12.8
144.09200	1.9
145.06425	5.0
145.10123	12.5
147.07919	5.9
147.11737	4.2
149.09567	3.3
150.39340	1.8
151.07402	2.5
152.06097	2.4
153.06883	6.7
154.07697	5.1
155.08554	20.3
156.09250	6.2
157.06403	2.7
157.10146	19.3
159.08115	10.0
159.11641	6.9
161.09521	3.8
165.06918	6.2
166.07697	4.4
167.08568	10.1
168.09236	6.1
169.06415	3.7
169.10150	26.6
170.10783	3.2
171.08009	4.8
171.11691	10.3
173.09622	4.3
173.13116	3.1
174.28522	1.9
175.11110	2.9
178.07666	5.1
179.08527	18.4
180.09244	6.7
181.10152	13.5
182.07201	2.2
182.10847	4.5
183.11722	9.6
185.09491	7.8
185.13104	2.6
187.07539	19.8
187.11116	3.9
189.12686	1.9
190.07784	1.9
191.08481	5.5
192.09274	8.8
193.10130	21.5
194.10875	11.6
195.08006	4.5
195.11726	13.2
196.12294	2.3
197.09566	9.6
197.13142	5.2
199.07469	3.6
199.11101	4.3
202.07716	3.0
203.08600	8.9
204.09264	4.5
205.10133	13.2
206.10881	12.4
207.07877	2.6
207.11703	26.5
208.12305	5.2
209.09488	5.0
209.13258	16.0
210.10345	2.2
210.13844	2.9
211.11078	5.1
211.14705	3.2
213.09021	3.2
213.12659	2.9
214.09778	2.2
215.08473	4.4
215.10370	3.7
216.09216	5.7
216.11400	1.8
217.10132	10.4
218.10724	7.1
219.11697	17.6
220.12358	8.1
221.09531	3.8
221.13217	17.0
222.10384	2.2
222.13791	3.4
223.11037	6.5
223.14706	5.2
225.12715	3.0
227.10622	2.0
228.09111	2.6
229.09996	5.6
229.12105	4.3
230.10696	7.0
230.12825	4.0
231.11737	13.2
232.12379	8.8
233.09578	3.5
233.13286	16.2
234.13786	7.1
235.11017	7.1
235.14900	9.2
236.11853	2.5
236.15402	2.1
237.08981	2.3
237.12590	6.8
237.16306	2.4
239.10539	3.8
239.14055	3.8
241.10046	3.1
242.10800	3.7
243.11559	8.7
244.12318	8.0
245.09346	5.1
245.13300	13.7
246.10419	3.3
246.13863	8.5
247.11116	5.1
247.14828	9.1
248.11748	2.8
248.15291	3.1
249.12575	5.0
249.16328	7.4
250.17024	2.1
251.14275	4.2
251.18118	1.8
253.12096	6.7
254.12903	4.3
255.11420	3.2
255.13687	7.6
256.12421	5.6
257.13086	8.3
258.13931	6.8
259.11002	4.4
259.14798	12.1
260.11734	2.4
260.15347	3.6
261.12540	7.0
261.16183	5.4
263.14127	6.7
263.17865	4.6
265.12241	2.3
265.19290	4.6
267.13629	5.8
269.13281	2.3
270.13791	3.0
271.11310	2.1
271.14642	7.3
272.11807	2.8
272.15158	2.6
273.12479	5.7
273.16138	9.9
274.13776	2.4
274.16864	3.7
275.10709	2.8
275.14163	5.0
275.17795	6.5
277.12131	2.6
277.15701	6.0
279.13687	4.2
281.15192	4.6
285.12756	4.0
285.16019	4.5
286.13629	3.3
286.16809	2.1
287.14124	4.5
287.17712	4.7
289.15704	5.1
289.18964	3.6
290.12912	2.4
291.13718	3.4
291.17175	5.7
293.15250	3.1
293.18430	3.0
298.16635	2.2
299.14276	2.3
299.17834	2.9
301.15662	5.7
301.19150	3.9
302.16409	2.0
303.13870	4.2
303.17166	2.6
304.14249	2.6
305.15121	7.3
305.18539	3.1
307.16672	3.6
315.17349	2.5
315.20767	3.4
317.15256	4.0
317.18854	5.6
319.16626	7.9
319.19894	2.2
320.17349	4.2
321.14795	3.5
321.18326	3.6
327.17343	3.4
329.18939	2.6
330.19388	2.4
331.16687	3.2
331.20239	4.8
333.18265	12.3
333.22046	3.8
334.18912	2.2
335.19827	2.4
345.18488	13.0
347.19888	9.9
348.20511	5.5
349.21292	5.9
351.19492	2.4
359.19720	8.1
360.20593	3.4
361.17673	1.9
361.21671	14.6
376.20239	2.3
377.21130	50.0
378.21100	5.5
393.20541	4.0
407.22000	4.8
431.25879	2.5
445.23212	7.9
447.25354	2.6
455.21710	4.1
471.21072	2.4
473.23117	37.0
474.23218	8.5
491.23846	100.0
492.24194	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2429
Annotation	Lindenanolide F
Peak:m/z	Relative Intensity
53.03954	6.5
55.01892	4.3
55.05506	12.0
65.03956	4.4
65.48215	3.3
65.63480	3.0
67.05517	17.2
67.27930	3.0
69.03409	7.1
69.07060	3.0
69.20311	22.2
75.21176	3.4
79.05508	14.9
81.07068	14.1
83.04973	39.9
84.93317	3.5
85.02855	4.0
91.05491	23.6
93.07053	28.4
94.08782	3.0
95.04961	9.8
95.08604	21.1
97.06551	3.2
103.05490	4.9
105.07039	25.0
107.04974	5.8
107.08607	12.8
109.06553	13.0
111.04449	26.5
111.08107	8.0
114.64822	3.2
115.05466	5.2
117.07026	12.0
119.04931	4.9
119.08573	15.3
120.54671	3.4
121.06516	14.9
121.10183	7.6
122.07327	7.8
123.04537	3.1
123.08105	6.8
128.06235	8.8
129.07016	11.6
131.04883	5.3
131.08572	12.9
133.06473	5.4
133.10159	9.0
135.08078	11.7
137.05963	29.4
137.09602	4.2
138.05495	5.1
139.07556	3.1
141.06990	8.7
142.07806	9.2
143.08556	18.0
145.06514	7.4
145.10158	12.0
147.08022	6.9
147.11676	4.2
149.05992	4.6
149.09647	6.1
151.07581	12.9
152.06281	4.8
152.74094	3.0
153.07028	7.3
153.44185	3.3
154.07796	6.9
155.08562	19.3
156.09340	6.7
157.06578	3.3
157.10176	9.1
159.08064	11.0
161.05998	5.5
161.09622	12.2
163.07542	5.2
163.11183	3.3
165.07056	12.5
165.09131	6.5
166.07790	6.0
167.08528	15.9
168.09183	3.6
169.10117	15.7
171.08092	5.8
171.11765	9.2
173.09650	12.6
173.13171	3.7
175.07547	8.5
175.11232	3.8
177.09111	5.5
179.08488	18.1
180.09280	6.0
181.06546	3.9
181.10158	10.9
182.07291	3.8
182.10963	3.7
183.08020	5.0
183.11688	5.6
185.09564	7.8
187.07605	3.6
187.11229	7.3
189.09085	6.9
191.08638	5.5
191.10686	4.2
192.09367	9.7
193.10176	11.6
194.10963	8.0
195.08044	36.8
195.11740	14.4
196.08385	4.1
196.12326	4.5
197.09584	15.3
198.65279	3.5
199.11177	6.5
204.09279	5.4
205.10165	7.6
206.10983	10.5
207.11707	11.2
209.09589	7.4
209.13298	11.4
211.11122	3.2
213.09128	6.6
213.12752	3.8
215.08650	5.9
215.10696	8.2
216.09302	6.9
217.10254	7.3
218.10893	6.1
219.08192	5.3
219.10162	14.2
219.11908	8.8
220.12468	3.8
221.09584	7.6
221.13237	9.0
222.10434	4.8
223.11200	9.1
227.10666	4.6
227.14256	3.7
229.10139	10.6
230.10994	7.7
231.08098	3.6
231.11691	13.3
232.12457	4.9
233.09567	5.3
235.11191	10.6
237.09097	4.4
237.12840	14.8
241.10048	4.2
241.12305	8.1
243.11694	10.1
244.12451	7.1
245.09476	7.5
245.13281	11.9
246.10437	6.2
246.14027	4.4
247.11035	5.9
247.14796	6.0
248.12053	4.2
249.12711	6.2
253.12361	4.5
255.11562	5.0
255.13802	29.9
257.09698	3.6
257.13290	7.0
258.14166	4.7
259.11188	8.8
259.14868	5.4
261.12784	7.8
261.16165	3.7
263.10754	4.6
263.14111	4.3
267.14029	4.2
269.13428	6.6
270.14017	4.0
271.11270	5.3
271.14871	11.0
272.15503	3.7
273.12756	8.9
275.14352	5.5
277.12189	5.1
282.13763	5.2
285.12744	5.6
285.16507	9.2
287.14435	7.3
287.17593	4.2
289.12280	6.1
289.15598	4.1
291.13834	4.6
299.05377	4.4
299.14276	6.6
299.17694	4.5
301.12469	4.4
305.15533	4.2
313.15863	7.6
315.13824	6.1
315.17368	5.2
317.15488	6.6
323.13943	3.8
327.17447	4.3
328.18277	4.3
331.16849	6.0
341.15427	5.0
343.16870	5.3
345.18582	9.0
356.17715	7.6
363.19730	4.2
399.23486	4.6
401.20969	4.8
409.21658	7.5
425.20941	7.6
427.22610	20.7
437.20987	12.6
443.21970	8.6
445.23511	15.1
455.22046	27.6
461.22830	10.8
473.23245	53.7
474.23709	7.2
491.08701	4.2
491.14551	4.7
491.16080	4.7
491.24454	100.0
491.31415	4.7
492.24573	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.5
53.03948	12.7
55.01865	7.9
55.05512	34.7
57.03444	9.6
57.07071	2.1
63.53283	1.8
65.03938	4.3
67.05505	67.4
69.03422	3.3
69.07072	17.8
69.53008	2.1
70.22076	4.7
70.22425	3.0
71.04991	6.9
71.08630	14.1
73.02932	2.1
73.06551	2.4
77.03909	3.4
79.05494	91.7
80.53618	1.8
81.03420	55.1
81.07058	67.2
82.07419	2.0
83.04984	21.0
83.08631	23.7
85.02897	15.6
85.06551	4.1
85.71196	2.0
88.93037	1.7
91.05483	100.0
93.07045	78.6
93.07628	4.7
94.07378	2.2
95.04974	42.7
95.08607	37.8
97.02889	5.4
97.06538	11.8
97.10188	10.0
99.08102	10.5
103.05474	4.2
105.03393	15.3
105.04518	3.9
105.07031	72.5
106.07310	3.4
107.04971	14.9
107.08601	28.7
109.06519	8.2
109.10152	10.7
111.08082	9.4
111.31792	1.8
113.09686	2.2
115.05457	5.1
116.06162	1.7
117.07040	23.2
119.08582	49.3
121.06495	6.5
121.10149	18.3
123.08096	9.2
123.11714	6.4
125.09638	5.3
127.07540	2.2
128.06194	11.0
129.07004	30.0
130.07761	1.9
131.08583	19.5
133.06483	8.2
133.10124	22.2
135.08092	8.9
135.11668	9.7
137.09653	3.0
141.06998	7.7
142.07765	9.1
143.08568	21.5
145.06505	5.3
145.10132	19.6
146.92148	1.6
147.08044	7.8
147.10591	3.8
147.11693	37.2
149.09653	6.0
149.13309	1.9
151.11200	7.3
153.06964	3.0
154.07669	2.5
155.08563	11.6
156.09398	3.9
157.06476	6.3
157.10129	24.2
158.07304	2.1
159.08049	5.8
159.11679	7.3
161.09648	9.3
161.13243	15.3
163.11165	3.7
165.06987	5.0
166.07735	2.5
167.08554	6.7
168.09241	3.4
169.06470	2.5
169.10135	15.0
171.08038	5.4
171.11699	28.5
173.09665	2.6
173.13266	2.6
175.11156	9.6
179.08539	7.3
179.14296	32.4
180.09444	2.8
181.10107	5.9
183.08063	4.1
183.11713	3.2
185.09630	7.9
187.11246	2.4
187.13353	2.8
189.12735	7.3
192.09335	5.0
193.10159	7.2
193.12221	38.5
194.10869	3.5
195.08147	3.5
195.11650	5.9
197.09601	7.4
197.13284	3.1
198.10083	1.9
199.11189	10.5
199.14694	2.9
201.12776	2.8
203.08499	2.2
205.10168	3.9
206.10918	3.5
207.11711	11.3
207.13806	19.4
209.09656	2.8
209.13280	6.8
211.11359	2.7
211.13249	30.6
215.08759	2.5
215.10733	4.7
216.09351	2.6
216.11415	2.4
218.10811	2.0
219.11807	3.3
221.09509	2.1
221.13284	5.7
223.11153	3.6
225.12610	2.9
225.62206	2.0
233.13254	5.2
235.11229	4.4
237.12798	12.3
239.14317	6.3
243.11662	2.9
244.12425	2.1
245.09479	2.6
245.13359	3.9
249.12657	5.0
249.14926	5.1
251.14267	3.0
255.11574	2.5
255.13913	3.4
259.15036	2.7
261.12570	2.7
267.13550	2.1
267.15973	11.3
271.14777	3.1
273.16367	3.0
277.21625	18.0
281.17389	10.7
283.14948	3.1
285.16721	2.7
289.15845	2.4
299.14166	3.0
300.15063	2.0
313.15897	3.6
327.17343	3.0
341.18933	5.6
343.20755	2.1
351.25296	46.7
354.58469	2.9
355.20712	4.9
357.22165	10.2
363.23666	2.4
373.21701	3.1
375.23288	3.1
385.21674	6.1
386.22739	3.0
399.24969	2.5
403.22659	12.1
445.23782	3.1
463.24878	4.1
473.23016	10.5
473.28970	20.4
474.23923	5.5
479.54285	2.2
491.24097	51.6
491.30099	28.8
492.24503	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3136
Annotation	BIX01294
Peak:m/z	Relative Intensity
50.01601	0.6
51.02377	1.2
53.03703	0.3
53.03944	6.3
55.01871	0.5
59.09220	0.3
60.58138	0.3
67.05505	3.2
69.07036	0.5
71.32057	0.6
77.03922	1.8
79.05502	0.6
81.03423	0.7
81.07048	1.9
83.08616	0.4
90.42759	0.3
91.05468	0.9
93.07049	0.9
95.04971	7.9
95.08592	0.8
96.05265	0.4
98.05455	0.4
102.62861	0.3
105.03387	77.4
105.04524	3.5
106.03716	2.5
109.10166	1.4
119.08585	0.4
121.10149	0.5
133.10136	0.7
146.06215	0.4
166.82611	0.3
186.43600	0.4
355.15433	0.4
363.37567	0.7
364.43909	0.3
371.14728	0.4
424.26923	0.4
447.32425	0.5
459.17773	0.4
491.21204	3.7
491.31235	100.0
492.20621	0.6
492.31573	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
55.05508	10.2
57.07059	4.8
61.73138	1.3
65.28820	1.9
66.33043	1.7
67.05507	14.9
69.05563	12.8
69.05974	2.8
69.07063	7.2
71.08636	3.2
79.05469	7.7
81.03409	2.8
81.07044	11.7
83.04971	3.7
83.08624	6.2
87.22123	1.7
91.05479	7.9
93.07044	13.8
95.04982	2.3
95.08617	12.2
97.06511	2.2
97.10172	4.3
105.03390	2.7
105.07022	6.0
107.08604	5.1
109.10159	8.6
119.08550	2.4
121.06496	2.5
121.10130	5.0
123.08044	2.4
123.11802	1.6
124.16211	1.5
131.08580	2.3
133.10133	5.8
135.11679	3.9
139.07491	3.3
143.08592	2.4
145.10091	3.6
147.11641	1.8
149.05974	6.7
151.07547	19.1
155.08568	1.9
159.11769	2.3
167.07042	100.0
168.07336	2.8
203.42210	1.6
209.08087	44.7
233.25180	1.6
237.22173	2.2
277.04547	1.7
336.76508	1.8
413.34259	4.4
428.38831	1.7
473.23007	4.0
491.24228	5.8
491.36847	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45300	1.6
53.03932	1.9
55.05510	3.8
57.03435	9.3
61.02928	2.0
69.03438	1.9
69.05559	18.1
71.04992	69.7
73.02921	3.4
75.04465	6.9
79.05499	9.2
83.04976	12.5
85.02904	100.0
86.03229	3.4
91.05459	1.9
97.02885	6.4
103.05457	5.3
107.04277	3.1
107.04958	46.6
108.05307	2.5
108.90549	1.6
111.04436	10.3
123.04459	2.8
127.03896	3.3
129.05476	40.2
130.05780	1.8
131.04927	41.4
132.05275	2.0
138.04878	1.8
145.04903	3.3
145.06448	3.2
147.06517	25.4
149.05980	45.0
151.07529	2.1
161.68463	1.9
163.07500	2.1
164.09219	2.6
171.08063	1.9
173.05957	2.7
174.16663	1.9
191.07054	3.8
215.07104	2.9
233.08055	5.2
255.08600	3.2
270.05225	1.8
280.65372	1.9
300.05801	2.2
307.29370	1.8
331.08243	4.5
378.27441	1.9
492.31946	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45300	1.6
53.03932	1.9
55.05510	3.8
57.03435	9.3
61.02928	2.0
69.03438	1.9
69.05559	18.1
71.04992	69.7
73.02921	3.4
75.04465	6.9
79.05499	9.2
83.04976	12.5
85.02904	100.0
86.03229	3.4
91.05459	1.9
97.02885	6.4
103.05457	5.3
107.04277	3.1
107.04958	46.6
108.05307	2.5
108.90549	1.6
111.04436	10.3
123.04459	2.8
127.03896	3.3
129.05476	40.2
130.05780	1.8
131.04927	41.4
132.05275	2.0
138.04878	1.8
145.04903	3.3
145.06448	3.2
147.06517	25.4
149.05980	45.0
151.07529	2.1
161.68463	1.9
163.07500	2.1
164.09219	2.6
171.08063	1.9
173.05957	2.7
174.16663	1.9
191.07054	3.8
215.07104	2.9
233.08055	5.2
255.08600	3.2
270.05225	1.8
280.65372	1.9
300.05801	2.2
307.29370	1.8
331.08243	4.5
378.27441	1.9
492.31946	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22625	2.0
55.01868	3.3
57.03436	22.3
58.89329	1.7
59.04985	5.8
60.04506	2.6
60.92256	1.8
61.02924	1.9
64.00301	1.9
67.05515	4.7
69.03429	77.9
69.07068	2.6
69.45313	12.4
71.04986	6.1
73.02913	5.3
79.05492	3.2
81.03369	2.7
81.07032	3.4
85.02901	63.5
87.04465	47.7
91.05469	6.8
93.07036	6.9
94.06569	2.9
95.04955	1.9
96.06610	2.1
97.02274	3.8
97.02887	63.2
97.74786	1.8
103.05444	7.1
105.07044	3.9
107.04965	3.1
115.03926	71.8
115.04739	4.0
117.07015	4.6
121.06488	16.3
125.02355	2.6
127.03923	6.5
129.05428	2.4
131.04922	3.1
133.03972	4.5
133.04956	77.5
135.08028	2.6
137.05980	7.5
138.06311	2.8
140.04683	27.5
141.80733	1.9
145.04924	6.9
145.06502	2.5
149.05974	17.8
150.07602	4.8
151.03864	2.4
151.07532	3.3
153.05464	15.8
161.06029	2.4
164.04692	3.3
173.06010	7.6
173.32132	2.0
181.08582	100.0
182.08977	2.4
203.07054	2.4
205.08606	15.0
216.15906	2.0
217.08534	3.6
241.07018	2.4
276.23260	5.4
277.10791	16.3
294.24216	2.7
312.25293	2.7
331.04681	2.1
347.07626	22.2
366.97226	2.1
414.55399	2.0
492.21176	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	2.4
53.03942	8.2
55.01872	3.9
55.05508	3.3
57.03428	6.3
59.04992	7.0
61.02909	2.1
63.65163	2.1
67.05495	8.4
68.18321	2.2
69.03429	39.9
69.07072	4.1
70.46551	4.7
71.04987	22.9
73.02919	5.2
77.73935	2.0
77.80902	2.4
79.05495	11.1
80.31017	2.3
81.03435	17.7
81.07057	46.3
83.04990	4.1
85.02905	74.7
86.01716	3.2
87.04468	11.5
91.05472	8.9
93.07043	8.6
95.04984	4.7
95.08611	6.4
97.02891	44.8
99.04453	32.9
99.22730	2.2
101.41496	2.3
103.03944	77.1
103.05444	3.1
105.07086	11.3
107.04922	3.5
107.08589	14.7
109.02877	41.2
109.06499	23.4
109.10154	11.5
111.04456	3.3
111.08030	2.3
112.52274	2.1
113.02356	3.1
115.03942	18.5
115.05408	3.4
119.08579	5.3
121.06502	2.5
121.10161	2.9
123.11690	32.3
124.05198	3.3
127.03914	97.4
128.04272	3.1
131.04884	3.9
131.08554	4.7
133.04973	14.5
133.10182	10.6
135.08072	4.4
135.11713	2.7
137.05989	13.7
139.07533	10.6
145.04951	49.4
145.10173	3.3
147.08020	7.6
149.09615	4.3
151.07541	2.7
151.11180	100.0
152.11676	3.4
153.12749	8.9
155.08580	2.4
161.05956	4.6
163.06030	39.8
163.07401	3.6
163.11266	3.7
165.09169	4.1
169.04915	3.6
169.12244	9.7
171.08112	3.6
173.09651	10.6
175.07567	8.3
181.12289	4.4
187.06023	9.2
189.09172	4.3
189.12657	2.4
191.10754	3.8
205.07083	5.0
205.12239	4.7
209.08101	3.1
217.12233	4.5
231.13826	2.3
241.12267	4.9
253.07228	2.6
259.13281	20.6
260.13651	2.7
271.08206	8.2
277.14313	10.3
289.09177	8.2
295.15390	4.7
307.10187	18.0
394.42810	2.5
421.18625	3.3
438.81351	2.4
439.19733	5.8
457.20456	5.3
494.67899	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.05505	2.5
57.03437	10.5
61.02922	2.0
64.52131	0.9
67.05493	1.1
69.03415	2.9
69.97093	1.2
69.97446	3.5
71.04992	78.1
71.91215	1.0
73.02904	2.2
75.04479	3.6
80.78685	0.9
81.03397	1.1
81.07055	1.6
83.04990	10.3
85.02901	100.0
87.04466	1.8
91.05445	1.3
95.04940	1.0
97.02902	4.2
99.04452	2.3
101.04461	0.9
103.03931	1.4
103.05461	1.2
109.10155	1.4
111.04466	7.1
120.08093	7.0
121.06506	1.3
121.10084	1.5
123.04388	1.2
127.03909	4.3
129.05473	42.8
130.05821	1.2
137.05934	5.5
144.27829	1.1
145.04958	2.1
147.06514	22.2
149.09644	2.7
151.07561	3.2
151.11166	1.1
161.05978	3.0
162.07549	1.6
163.06099	1.5
164.09209	4.3
165.07843	1.2
165.09108	5.5
166.09581	1.3
166.78143	0.9
167.10663	6.3
168.85329	1.2
180.08611	1.5
203.07007	4.9
241.36499	1.2
326.14377	1.7
338.80637	1.0
492.15659	1.1
492.26648	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63798	2.1
54.81414	2.5
55.01859	4.2
57.03439	24.6
59.04992	4.1
60.04517	5.4
61.02922	2.6
67.05495	5.1
69.03430	92.8
69.38760	16.6
71.04977	17.1
73.02910	4.7
75.04472	3.4
79.05500	3.2
81.03421	4.7
81.07042	7.3
83.04983	4.5
85.02905	84.1
87.04467	61.4
91.05476	5.9
93.07055	3.3
95.08591	4.5
97.02891	71.2
98.23315	4.6
101.06051	2.5
105.07004	15.0
107.04942	3.7
107.08583	3.8
109.02853	2.7
109.10177	3.2
111.04424	5.0
115.03927	100.0
119.08562	4.7
121.06462	6.4
121.10197	3.6
124.05209	29.9
127.03949	7.7
129.05498	12.4
131.13394	2.6
133.04962	99.6
133.10127	8.6
137.05975	9.4
137.09607	5.4
139.07544	48.0
143.20903	2.3
145.04956	11.1
147.06516	4.3
150.07619	20.0
151.07532	4.3
151.11180	6.1
157.06567	3.1
161.09619	3.9
163.06093	2.9
163.07487	3.1
163.11171	60.3
164.11607	3.0
165.09096	33.9
166.09470	18.2
167.10683	6.8
177.09201	4.1
180.08812	3.3
181.12199	28.6
205.12233	2.8
217.12166	2.6
242.08858	2.5
259.13245	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.0
67.05506	10.1
69.27396	24.2
75.62323	3.4
79.05491	14.2
81.07066	15.8
83.04984	6.6
91.05478	15.8
93.07045	15.2
94.54114	3.6
95.04987	8.9
95.08614	6.1
105.03409	19.7
105.07023	11.3
106.03725	7.4
107.04941	4.8
107.08579	7.1
109.06539	5.6
117.07011	4.5
119.08575	11.7
121.06468	7.4
128.06224	5.3
129.07004	9.0
131.08574	14.8
133.06494	6.6
133.10126	8.6
135.11653	4.1
137.06030	4.3
143.08461	7.0
145.10168	7.2
147.08081	4.6
155.08595	13.1
157.10185	11.5
159.08058	11.7
161.09615	12.4
169.10158	7.7
171.08044	6.1
171.11714	9.8
172.81416	3.6
173.09708	4.2
175.11272	5.9
175.59003	3.6
179.08417	4.7
179.41238	3.7
183.08026	4.8
185.09621	5.8
187.11296	3.9
194.10747	4.0
195.11801	5.1
199.11101	5.5
201.12543	3.5
203.10753	4.7
207.11717	8.1
209.13246	15.3
217.12086	4.2
223.11131	5.8
228.01396	3.7
235.11159	4.4
237.12643	4.3
277.92575	4.0
349.02502	3.9
399.19415	4.7
411.23141	13.6
415.22626	7.0
429.24289	100.0
430.24460	10.1
439.22592	13.1
447.25415	5.6
457.17789	7.0
457.23743	75.8
458.23792	6.7
475.24811	63.5
476.25220	6.1
492.26627	6.6
493.25018	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30667	1.0
53.03946	2.0
55.05507	1.5
57.07075	5.5
58.99591	1.3
62.45052	1.0
62.50050	1.0
65.03926	2.0
69.07069	11.5
70.31316	1.0
70.84488	1.2
70.84850	2.6
71.08636	2.3
74.90969	1.0
79.05061	1.3
79.05498	9.9
87.02674	2.5
91.05480	100.0
92.05823	1.4
94.87920	1.0
95.04990	2.5
103.05463	8.5
105.03398	4.8
105.07030	53.0
106.03735	1.1
106.06562	2.7
106.07869	6.2
107.08620	3.5
113.41196	1.0
128.15675	1.1
133.06490	39.2
134.07280	23.0
135.08055	82.7
136.08354	1.3
137.04202	3.0
143.08900	2.9
151.07544	17.4
159.08017	1.1
165.02296	2.1
165.03700	42.6
166.03952	1.4
167.05246	7.9
173.09517	1.2
177.51810	1.0
179.05234	12.2
181.10124	6.5
183.04916	1.4
198.12778	73.3
199.13069	1.4
201.58615	1.0
274.19873	0.9
277.16205	28.5
295.17261	99.8
296.17575	5.0
362.57092	1.1
376.62231	1.0
386.02896	1.0
407.25485	7.2
421.26923	1.3
449.26266	2.3
493.26215	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	18.4
55.05515	30.6
57.07083	16.6
67.05505	73.5
68.05847	15.0
69.07081	30.6
71.08636	9.7
71.56720	6.4
72.85590	4.7
79.05502	16.0
81.07053	49.8
82.07399	6.4
83.08615	11.4
91.05500	16.5
93.07059	15.9
95.04959	13.1
95.08612	31.9
105.03395	100.0
105.04493	9.9
105.07047	14.6
106.03730	12.0
107.08625	11.8
109.10178	36.5
110.10498	16.5
117.07022	6.3
119.08587	13.8
123.11723	9.0
131.92780	5.2
133.10141	8.2
135.11720	7.8
137.00558	4.6
137.06027	9.4
137.09776	5.0
140.71494	4.8
145.10092	10.2
147.11736	5.4
151.07570	13.2
167.07051	50.5
173.11687	6.6
189.09134	5.7
207.10133	8.9
296.75510	5.2
330.38541	5.5
429.33517	16.7
447.34686	21.1
492.37106	33.2
514.27911	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99186	4.1
53.99668	3.7
55.01880	11.0
57.03433	4.3
58.29733	3.7
69.03438	5.7
70.06586	4.7
70.64848	11.1
81.03429	9.8
85.02916	26.0
93.49348	3.9
97.02900	11.1
97.31802	4.0
103.03944	8.2
107.04951	5.5
109.02883	7.7
121.02887	12.1
121.06638	4.4
123.04421	4.4
131.04987	7.1
133.98660	4.7
135.04442	8.2
137.06015	8.2
139.03902	4.9
144.08098	100.0
145.06535	5.2
147.04446	12.6
151.03979	8.6
161.06052	9.2
161.10774	16.3
163.03860	20.4
167.31747	4.5
171.04468	8.2
175.03905	20.0
177.05547	14.2
181.04993	21.0
181.06424	6.2
185.06032	12.8
187.04025	15.6
189.05551	13.6
191.07071	6.1
193.05008	30.2
197.06036	7.2
199.03986	7.1
199.07587	6.2
201.05478	8.8
203.03445	8.5
203.07140	7.9
205.04932	36.4
210.53955	4.3
211.05934	8.5
213.05554	13.9
217.04988	30.6
219.03024	4.6
219.06566	16.9
221.04565	14.3
223.05974	29.5
225.05426	8.2
227.07159	10.4
229.04985	19.4
231.06599	17.3
235.05965	34.3
239.06998	5.9
241.04982	10.7
243.06587	11.6
245.08127	6.7
247.06021	63.7
253.04927	7.7
255.06516	10.4
259.06027	81.6
269.07880	4.6
271.06152	18.5
273.07632	14.8
277.07089	37.0
279.06439	5.3
281.08252	4.7
283.05994	21.7
285.07617	11.1
289.07080	65.5
295.05991	7.8
297.07513	6.3
301.07071	57.8
307.08316	21.6
313.06909	39.6
319.08295	15.3
325.06403	12.0
325.09155	46.2
331.08124	5.1
337.09241	18.9
343.08170	28.7
355.08350	19.6
361.09219	25.4
367.08362	7.4
373.09171	24.3
379.10321	17.4
385.09326	7.8
391.10214	36.8
403.10159	14.0
409.11285	5.4
421.11166	7.2
439.12552	5.2
452.49414	4.4
493.17551	8.6
493.25824	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2222
Annotation	Mortonol A
Peak:m/z	Relative Intensity
50.01593	0.7
51.02378	1.4
53.00305	0.1
53.03949	6.3
54.04274	0.1
55.01869	0.4
64.74249	0.1
69.23517	0.6
72.98620	0.1
77.03925	2.3
77.04337	0.2
81.03428	0.9
91.05482	0.4
92.05801	0.1
95.04971	9.4
96.05327	0.1
96.88374	0.1
98.18250	0.1
105.03394	100.0
105.04530	4.5
106.03724	2.4
118.06544	0.2
125.37382	0.1
132.73311	0.1
133.06430	0.1
135.08057	0.3
165.03638	0.1
179.89238	0.1
194.42162	0.1
198.12761	0.2
199.13162	0.1
212.41133	0.1
218.33556	0.1
295.17297	0.2
296.17606	0.2
312.45987	0.1
325.14337	0.1
340.16559	0.2
341.17188	0.1
355.15448	0.1
371.18610	0.2
388.24747	0.1
391.64377	0.1
462.63016	0.1
493.25378	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2221
Annotation	Mortonol A
Peak:m/z	Relative Intensity
50.01602	0.7
51.02372	1.2
53.03947	6.1
55.01875	0.6
55.05508	1.5
57.07069	0.2
67.05500	0.7
68.45358	0.2
69.07075	0.4
69.21146	1.4
72.08154	7.0
77.03918	1.4
79.05504	0.3
81.03438	1.0
81.07059	0.6
83.04979	1.6
90.41374	0.2
91.05491	1.0
93.07049	1.0
95.04969	7.9
95.08595	1.0
103.05465	0.6
105.03391	100.0
105.04536	3.4
106.03727	2.1
107.04946	0.2
107.08611	0.6
109.10204	0.3
111.08052	0.3
117.07005	0.3
118.06497	0.2
119.08583	0.8
120.08106	15.6
121.06554	0.5
121.08427	0.3
121.10149	0.2
129.06979	0.3
131.08591	0.4
133.10138	0.3
141.07027	0.2
143.08594	0.3
145.10164	0.2
147.08058	0.3
147.11636	0.3
155.08531	0.3
157.10135	0.3
159.07950	0.4
159.11618	0.3
161.09692	0.2
165.07100	0.2
167.07062	0.4
167.08492	0.3
169.10109	0.2
171.11752	0.3
171.14923	1.2
173.09708	0.2
174.12830	0.5
181.08572	0.3
199.14426	1.0
203.53712	0.2
207.11644	0.4
211.11220	0.3
219.14914	2.8
221.13275	0.3
227.06976	0.3
239.14493	0.2
241.12195	0.3
247.14441	3.0
255.10370	0.2
267.06329	0.2
267.14944	1.0
269.04398	0.4
277.14264	0.3
281.04385	0.2
281.08221	0.2
283.05954	0.3
293.08163	0.3
293.11633	0.3
295.09641	0.3
295.14429	1.7
297.07571	0.3
299.05450	0.2
299.09128	0.3
301.19153	0.6
305.08255	0.3
309.11322	0.3
311.05569	0.4
323.12711	0.6
325.06390	0.2
329.10724	0.2
337.07361	0.2
338.14899	1.0
339.15662	0.3
341.10208	0.3
346.21094	0.8
347.08984	0.3
349.19107	0.4
351.12354	0.7
355.15518	0.5
359.09125	0.4
365.13895	1.4
367.11557	0.9
369.10776	0.3
369.17105	0.6
370.17636	0.5
372.09912	0.3
374.11234	0.3
382.13528	0.2
387.12286	0.5
388.13089	0.7
389.10129	0.4
391.11621	0.6
394.21487	0.4
397.16574	2.1
401.13702	0.6
402.14478	0.9
403.11435	0.3
404.12418	0.5
405.13364	0.7
406.14514	0.3
407.14511	0.3
412.16492	0.4
413.13513	1.1
414.14398	0.5
415.18918	1.9
418.14508	0.3
419.14935	1.2
427.15796	0.3
428.16159	0.3
429.16779	2.0
433.16443	1.8
443.18616	2.4
444.19260	2.7
445.16449	0.6
457.24133	0.3
460.18909	1.4
475.21014	16.5
476.21255	1.4
493.22183	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.8
51.02375	1.5
53.00301	0.1
53.03946	6.0
54.04268	0.1
54.61933	0.1
54.79051	0.1
55.01874	0.4
67.05493	0.1
69.07055	0.1
69.43336	0.1
70.47499	0.2
74.73061	0.1
77.03918	1.7
81.03416	0.8
81.07057	0.1
82.41122	0.1
83.52244	0.1
88.01199	0.1
91.05474	0.4
93.07096	0.1
95.04967	10.0
95.08584	0.1
96.05312	0.2
105.03389	100.0
105.04522	4.7
106.03721	2.4
107.08591	0.1
118.06542	0.3
119.30617	0.1
133.06477	0.2
135.08057	0.2
145.10115	0.1
167.05327	0.1
198.12791	0.3
199.13165	0.2
220.47202	0.1
223.43520	0.1
235.13252	0.2
295.17313	0.3
296.17639	0.2
340.16772	0.2
345.13565	0.1
355.15390	0.2
371.18826	0.1
387.18137	0.2
390.87991	0.1
422.32013	0.1
490.28735	0.1
493.29321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2219
Annotation	Mortonol A
Peak:m/z	Relative Intensity
50.01595	1.0
50.53601	0.3
51.02378	2.0
53.03946	8.9
55.01865	0.9
55.05506	0.9
57.07064	1.3
67.05502	2.6
69.07063	1.4
69.28730	2.1
71.08633	1.1
77.03916	2.3
79.05491	1.1
81.03427	1.5
81.07066	2.0
83.08615	0.7
85.10178	0.4
91.05475	1.2
93.07030	1.3
95.04968	10.2
95.08619	1.4
97.10158	0.4
98.22657	0.6
105.03387	100.0
105.04526	5.6
106.03716	2.5
107.08601	0.9
109.10130	0.8
116.04202	0.3
121.10168	0.5
123.11697	0.3
135.11674	1.3
145.10129	0.4
211.67171	0.4
240.92496	0.4
398.14746	0.3
493.38715	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2221
Annotation	Mortonol A
Peak:m/z	Relative Intensity
50.01588	0.6
50.32743	0.2
51.02376	1.6
53.03945	7.7
55.01861	0.7
55.05506	0.6
57.07075	0.7
67.05496	1.7
69.07056	0.7
71.08617	0.5
71.29804	0.3
77.03903	1.7
79.05481	1.2
81.03410	0.7
81.07047	1.0
83.04958	0.4
83.08607	1.0
85.10191	0.3
91.05456	0.5
93.06506	0.3
93.07044	1.1
95.04964	8.6
95.08587	1.0
97.10143	0.3
105.03387	100.0
105.04530	4.4
106.03716	2.3
107.08553	0.6
107.26532	0.4
109.10138	1.0
119.08587	0.3
121.10099	0.4
123.11661	0.3
135.11687	0.9
168.16882	0.2
173.63417	0.2
230.50938	0.2
371.18683	0.3
493.38788	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.4
53.03945	0.6
55.01866	0.5
55.05505	2.0
55.16401	0.4
64.95000	0.3
65.03935	1.1
66.04713	1.0
67.05491	0.8
69.03419	0.7
69.07077	0.6
70.06609	0.5
71.04980	0.4
71.30917	0.5
74.23136	0.4
77.03946	0.4
79.05499	1.8
81.07057	1.3
83.04973	0.6
83.08618	1.3
91.04960	0.7
91.05482	9.2
92.05819	0.5
93.07033	0.6
94.04191	5.3
95.04968	1.8
95.08627	0.8
98.06072	0.7
98.09707	0.5
100.07623	0.9
100.11262	4.5
102.04697	0.4
103.05473	6.0
104.64401	0.4
105.07024	3.0
107.04947	1.6
107.08595	0.6
108.05732	0.5
109.06536	1.4
111.04453	0.6
115.05448	1.2
115.12389	0.4
117.07027	1.1
118.04082	0.4
119.04958	4.9
121.06526	1.8
122.03652	12.2
123.04441	0.8
123.08011	0.5
126.09157	0.5
128.06209	0.9
129.07045	2.1
131.03972	0.7
131.04935	7.8
131.08548	1.0
133.06522	2.5
135.04443	1.0
135.08047	2.1
136.05185	0.7
137.05980	100.0
138.06311	2.6
139.07574	0.4
141.06950	0.7
143.04919	0.6
143.08563	0.4
145.06482	2.0
146.03662	0.4
147.04396	0.8
147.08104	0.6
149.05983	4.1
151.07547	25.3
152.06215	1.4
152.07863	0.6
153.06946	0.6
154.07773	0.4
155.08525	0.4
157.06508	0.9
159.08005	0.6
160.05112	0.7
161.05988	3.5
162.06807	0.4
163.03867	0.5
163.07552	15.7
165.07005	2.6
165.09097	2.2
166.07809	0.8
167.07164	0.6
167.08543	4.0
168.13805	1.7
169.06477	0.9
171.08078	0.9
174.06783	1.4
175.07568	3.9
177.06863	0.4
177.09114	2.2
178.07736	0.6
179.08598	0.7
181.06456	1.3
181.10159	0.5
182.07277	1.2
182.15454	2.6
183.07962	0.4
185.16524	0.6
187.07581	2.2
189.09097	4.3
191.03450	0.5
191.08485	0.5
191.10593	0.5
193.06464	2.2
194.07193	0.8
195.08058	5.6
196.08705	1.1
197.05916	0.9
197.09694	0.4
199.07559	0.9
201.09148	1.8
203.08548	0.5
203.10674	1.0
207.08037	1.1
209.05948	0.7
209.09593	1.0
210.06854	1.9
210.14919	1.2
211.07603	1.1
212.08344	0.8
213.09047	1.0
219.08177	0.8
221.06013	3.3
221.09630	0.9
223.07515	2.4
224.08298	1.7
225.09171	2.4
227.07138	0.7
227.10675	7.1
227.17549	0.4
228.10989	0.6
228.16061	0.7
233.09572	0.7
235.07561	0.7
236.08318	0.5
237.09108	1.0
237.80661	0.4
238.06291	1.1
239.06888	0.5
239.10754	0.7
240.07849	0.6
241.12216	0.5
249.09200	0.6
251.10657	1.5
252.07826	1.2
253.08595	3.6
253.12239	0.6
254.09259	0.4
255.10191	6.9
256.10593	0.4
261.09061	0.5
264.07642	0.5
265.08533	0.4
267.10068	2.1
269.11652	0.5
270.08868	0.7
277.08618	0.4
277.12354	0.4
279.09949	0.4
281.11783	0.7
285.11230	7.6
287.12814	12.6
287.16019	0.7
291.13916	0.6
293.11774	0.7
295.20181	1.2
299.13000	0.5
301.14407	0.4
305.11768	1.1
307.09900	0.5
307.13281	0.6
309.21725	1.3
311.13089	0.5
313.14499	1.9
319.13266	1.2
325.14124	1.1
337.14249	0.8
351.16019	2.7
369.16873	0.4
415.19009	3.9
416.18857	0.5
443.18433	1.7
457.22705	0.4
475.21048	1.6
493.37497	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	1.2
57.28220	0.4
69.41573	2.3
77.49252	0.5
79.05482	0.6
81.07070	0.5
91.05499	4.4
92.05824	0.9
95.08630	0.5
103.05427	0.5
105.03391	1.1
105.07026	2.6
106.03789	0.6
106.07376	0.5
118.95713	0.5
129.45244	0.5
133.06490	1.8
134.07339	0.9
135.08067	2.7
136.08386	0.8
151.07556	0.7
161.04576	0.5
165.03716	1.5
198.12776	2.0
199.13159	1.3
239.23769	0.7
277.16403	0.9
278.16589	0.9
284.27209	0.4
295.17191	2.6
296.17654	2.5
313.27490	1.0
391.26208	0.8
405.27515	2.9
407.25598	21.4
408.25995	2.0
421.27158	5.9
431.25543	1.2
447.24963	1.1
449.26678	11.0
450.26974	0.7
463.18539	0.5
463.24402	2.2
475.24915	1.0
478.19656	0.9
493.26199	100.0
494.26556	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27080	1.0
53.03943	1.2
55.05512	2.9
59.38708	0.9
66.77667	0.9
67.05492	0.9
69.02095	0.9
69.07085	2.1
71.08610	0.9
79.05474	1.9
79.77007	1.0
83.04980	5.1
87.02739	1.0
91.05477	14.5
92.05821	4.2
95.08616	1.4
103.05460	0.9
105.03353	1.4
105.07034	9.2
106.07314	1.6
107.08594	2.0
119.08554	2.1
121.10171	1.1
133.06502	6.1
133.10016	1.2
134.07239	2.9
135.08081	10.2
136.08409	4.0
151.07616	1.3
157.10051	1.3
165.03738	3.6
166.04013	1.6
167.05295	1.1
171.11551	1.1
179.05284	1.1
198.12762	7.8
199.13055	4.5
220.88960	1.0
229.62013	1.3
277.16074	1.8
278.16650	3.0
295.17221	9.4
296.17648	9.6
331.19086	0.9
335.16415	1.0
345.47247	1.0
360.99475	1.2
405.27597	2.6
407.25620	19.9
408.25793	1.8
421.27365	4.8
447.25180	2.8
449.26746	7.2
457.24255	1.1
463.24545	1.5
475.24817	2.2
493.25601	100.0
494.25830	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.8
55.01865	5.4
55.05518	13.7
57.03426	3.0
65.03934	3.4
67.05504	23.8
69.03423	9.7
69.07059	5.0
69.09475	25.3
72.91206	2.7
74.07500	2.9
79.05495	18.2
80.75314	2.9
81.07043	24.6
83.04984	24.9
90.03174	2.7
91.05487	30.4
93.07039	44.8
95.04987	14.2
95.08604	32.2
96.06590	2.9
97.02865	3.7
97.06527	6.6
98.23373	6.5
103.05448	3.4
105.07021	38.9
107.04916	3.1
107.08606	20.1
109.02856	4.9
109.06522	18.8
109.10150	4.0
111.04458	9.0
111.08061	11.8
115.05447	4.8
117.06987	11.6
119.04910	2.9
119.08546	25.0
121.06503	28.3
121.10144	8.3
123.04406	3.0
123.08063	8.8
123.11733	7.2
125.05999	3.8
128.06268	8.4
129.07013	15.5
131.08559	20.9
133.06453	6.9
133.10133	25.6
135.08040	21.7
137.05991	16.8
137.13348	2.8
139.07550	6.3
141.06981	11.2
142.07745	12.9
143.08565	22.8
144.05638	4.0
144.09305	3.2
145.06493	9.4
145.10127	16.8
146.07315	5.1
147.08061	16.2
147.11705	6.8
149.09593	7.5
151.07541	15.4
152.06183	3.1
153.06960	8.3
154.07722	6.9
155.08556	23.0
156.09317	10.3
157.06494	5.9
157.10107	17.7
158.07277	5.1
159.08044	18.4
159.11668	11.2
160.08804	5.7
161.05994	3.8
161.09621	55.7
163.07516	8.5
163.11185	6.6
165.06984	11.3
166.07596	3.8
167.08554	11.7
169.10107	23.4
170.10846	3.8
171.08047	11.6
171.11636	18.7
172.08772	5.2
173.09598	17.4
175.07530	7.8
175.11186	7.6
177.09044	3.0
178.07750	5.1
179.08560	19.8
180.09280	8.6
181.06447	5.0
181.10117	12.3
182.07245	3.9
183.08005	10.5
183.11688	9.3
183.13773	5.4
185.09648	14.1
187.07448	4.2
187.11159	13.1
189.09116	22.0
191.08569	3.9
191.10568	3.9
192.09386	9.8
193.10149	13.1
194.10895	7.8
195.08046	10.2
195.11661	19.9
196.08778	6.3
196.12302	3.2
197.06117	3.8
197.09602	20.5
197.13242	8.0
198.10410	4.6
199.07556	3.5
199.11205	14.8
201.09195	3.8
202.07881	4.7
203.08742	6.2
203.10629	46.9
204.09352	4.0
205.10094	5.0
206.10944	8.8
207.08223	3.7
207.11676	24.1
209.09665	12.1
209.13258	15.8
210.10344	5.0
210.13812	3.2
211.11179	11.0
211.14693	4.6
212.11882	3.6
213.09044	7.1
213.12656	8.4
215.10648	11.0
216.09232	5.0
217.10164	6.4
217.12120	4.9
218.10831	3.6
219.11644	7.3
220.08813	3.8
220.12282	6.2
221.09659	7.6
221.13264	7.7
222.10336	6.0
223.11172	9.6
223.14714	5.5
225.12637	8.6
227.10555	4.2
227.14188	3.7
229.10149	7.4
230.10858	3.8
231.11626	9.0
232.12376	4.5
233.09669	5.0
233.13242	11.9
234.10387	5.6
234.14044	4.7
235.11127	13.3
235.14694	6.4
236.11653	3.8
237.09032	3.8
237.12799	13.9
238.13489	4.5
239.10641	3.7
239.14439	6.9
241.12204	7.5
242.10751	3.5
243.11629	11.8
243.13844	8.6
244.12444	6.3
245.09546	3.8
245.13257	9.5
246.10379	5.0
247.11191	8.4
247.14906	3.7
249.12656	10.7
251.14293	7.1
253.12251	6.0
255.13889	19.5
257.13315	6.5
258.13928	6.8
259.11176	6.9
259.14795	8.5
260.11972	4.0
261.12735	15.8
261.16394	4.2
263.14215	9.6
263.17920	3.7
265.12173	4.5
265.15903	4.0
267.13882	6.8
269.13043	5.6
271.14890	4.9
273.12750	6.9
273.16443	9.0
275.14276	13.0
275.17670	3.3
276.14896	4.1
277.12546	3.4
277.15872	10.7
279.13721	9.8
282.13986	3.7
285.12704	4.4
287.14398	7.3
287.17963	4.4
289.12076	4.8
289.15857	6.0
291.17502	4.4
293.15292	7.3
295.16885	4.3
298.16959	3.4
299.14188	5.5
300.15198	3.3
301.12418	3.2
301.15839	11.7
303.13800	6.2
305.15317	4.1
310.30338	3.1
315.17410	6.5
317.15430	7.5
317.19034	4.7
319.16879	9.5
333.18454	5.5
337.18073	5.2
343.16989	8.3
345.18332	7.6
347.20142	4.9
357.18512	4.9
361.17789	11.9
379.18936	16.8
397.21664	7.4
411.23166	14.9
413.24716	5.9
415.22672	11.8
421.21558	11.9
429.24185	29.9
431.25858	13.7
439.22650	38.5
447.25159	12.3
457.23703	100.0
458.24182	7.2
475.18619	5.9
475.24869	86.7
476.24872	11.3
493.25809	94.7
494.25589	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2585
Annotation	Kadlongilactone B
Peak:m/z	Relative Intensity
53.03948	9.2
55.01851	6.7
55.05502	10.4
59.32676	3.7
67.05495	12.4
69.01935	41.9
69.03413	12.2
75.10759	3.8
79.05490	21.1
81.03433	7.0
81.07059	26.4
83.04977	15.6
91.05484	29.1
93.07051	33.7
95.04954	18.2
95.08602	24.6
105.07025	39.9
107.04916	5.5
107.08584	21.8
109.06510	12.4
111.08099	12.4
115.05426	5.2
117.07005	11.8
119.08563	24.4
121.06503	16.2
122.04698	4.3
123.08053	10.0
128.06229	13.2
129.06987	18.7
130.07797	5.9
131.08543	31.0
133.06514	10.8
133.10109	25.0
135.08044	11.6
135.11656	4.3
137.05989	18.1
139.07553	6.6
141.07011	10.3
142.07764	13.5
143.08582	27.6
145.06480	8.3
145.10100	23.4
147.08034	11.1
147.11684	10.3
149.05995	4.4
155.08574	25.2
156.09250	8.6
157.06503	8.2
157.10126	24.7
158.07135	5.1
159.08070	18.6
159.11722	11.2
160.08760	4.4
161.09616	28.3
161.13359	4.8
167.08582	10.4
169.06482	4.8
169.10172	20.4
171.08031	16.3
171.11665	18.1
172.08774	5.0
173.09639	19.2
175.07515	9.5
175.11159	17.9
179.08553	10.7
180.09329	6.4
181.10152	10.3
182.10788	8.6
183.08121	10.4
183.11702	12.8
185.09563	20.0
187.07574	8.1
187.11205	14.1
189.09108	10.0
192.09389	6.4
193.10100	16.5
194.11008	5.3
195.08061	10.1
195.11656	13.4
197.09613	18.3
197.13197	8.7
199.11238	13.1
201.09151	8.4
201.12790	5.7
202.04178	4.8
203.09012	4.2
203.10605	20.3
204.09305	5.3
205.10158	6.0
206.10968	8.8
207.11693	14.6
209.09523	10.0
209.13255	19.7
210.13774	8.2
211.11172	12.7
213.09238	8.6
213.12622	7.1
215.10608	9.2
219.08095	5.0
219.11736	11.5
221.09610	5.9
221.13237	8.5
222.10461	4.5
223.11203	19.2
224.11966	5.1
224.29297	4.7
225.12756	12.1
227.14308	10.1
230.10951	5.7
233.13260	10.1
234.13654	4.9
235.11057	5.6
235.14752	6.6
236.11896	4.4
237.12726	11.6
239.14279	10.6
241.12263	10.2
243.13811	6.1
245.13145	6.3
247.11183	9.4
247.14697	4.3
249.12660	8.0
251.14391	7.1
253.12320	11.9
255.13875	8.1
258.14066	4.4
259.14648	5.2
261.12781	9.5
261.16202	5.0
263.14169	5.7
265.12256	5.5
273.12720	7.6
274.13510	4.6
275.14087	6.1
275.17810	4.8
277.15829	7.8
281.15555	4.7
287.14349	6.3
289.16006	5.3
293.15387	6.0
301.15573	4.8
305.15115	7.0
307.17209	5.3
315.17444	6.6
319.16953	5.6
327.17490	5.8
357.18246	5.7
361.18143	5.7
381.18619	5.0
393.21799	6.1
399.19495	11.6
411.23288	20.0
412.23615	6.7
415.22568	15.5
417.20560	6.4
421.21573	11.3
429.24234	77.5
430.24579	48.7
431.25232	6.3
433.23590	9.1
439.22729	42.3
440.22897	7.3
447.25363	31.9
457.23752	100.0
458.23965	30.7
475.24872	74.2
476.25391	26.8
493.25839	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.3
55.01861	7.2
55.05515	18.4
56.11582	3.0
57.03441	2.9
65.03961	4.0
67.05510	43.5
69.03423	7.8
69.07055	8.8
69.80256	7.4
69.80647	4.9
70.33163	3.1
71.01342	3.1
76.26467	2.9
79.05497	18.7
81.03437	7.0
81.07066	23.6
83.04984	38.9
91.05485	35.7
93.07046	47.1
95.01305	3.6
95.04948	16.9
95.08596	40.5
97.02927	5.6
97.06534	5.6
98.22684	3.6
103.05479	3.9
105.06383	4.4
105.07031	54.0
107.04974	5.1
107.08577	19.3
109.02901	3.7
109.06506	18.6
109.10160	21.9
111.04433	21.2
111.08057	17.4
113.02365	4.2
113.05895	3.3
115.05448	8.2
117.07041	16.8
119.04908	4.5
119.08574	31.7
121.06461	15.9
121.10154	7.5
123.00809	9.2
123.04495	3.2
123.08073	14.2
124.18219	3.0
125.02437	3.8
128.06238	11.5
129.06999	14.9
130.07805	3.7
131.08556	30.6
133.06516	12.9
133.10144	24.5
135.08090	15.6
135.11707	6.8
137.05971	16.2
139.07535	10.2
141.06989	12.1
142.07774	14.8
143.08539	32.8
144.09282	3.4
145.06474	10.2
145.10136	36.1
147.04472	4.4
147.08043	12.6
147.11690	12.1
149.06018	4.3
151.07529	12.0
153.06950	4.6
154.07785	5.5
155.03372	8.5
155.08545	26.8
156.09299	9.8
157.10138	28.6
159.08051	13.2
159.11673	19.2
160.12184	3.3
161.05980	8.2
161.09637	19.6
161.13342	4.1
163.07533	4.8
163.11230	3.3
165.07018	12.9
166.07790	6.9
167.08580	15.8
168.09315	6.7
168.34895	2.8
169.10139	27.0
170.10643	2.6
171.08075	11.0
171.11705	20.2
173.09621	21.4
173.13205	4.6
175.07527	5.3
175.11183	7.3
178.07753	4.0
179.07066	4.1
179.08522	14.9
180.09363	8.5
181.10161	19.5
182.07256	4.7
182.10889	9.9
183.08136	8.4
183.11671	23.2
185.09639	14.6
185.13260	8.0
187.07451	3.3
187.11134	11.0
189.09067	3.7
189.12762	5.9
191.08615	3.9
192.09302	11.8
193.10133	14.9
194.10861	10.8
195.08009	6.1
195.11681	24.2
196.08788	3.8
196.12447	6.5
197.09602	12.8
197.13269	11.2
199.07532	4.8
199.11130	11.3
199.12843	2.9
199.14847	5.2
201.09163	6.2
201.12759	5.2
203.08490	9.9
203.10513	5.3
204.09238	5.6
205.10188	10.2
206.10922	11.2
207.11682	22.7
208.12390	5.3
209.09567	14.6
209.13229	11.0
210.10460	7.1
211.07584	6.1
211.11110	6.2
211.14838	12.5
213.09135	4.7
213.12750	6.7
215.08777	3.0
215.10724	5.7
216.09387	3.4
217.10101	8.1
218.10847	5.3
219.08215	3.8
219.11688	12.8
220.12398	7.0
221.09723	4.4
221.13274	17.7
222.13988	3.1
223.11365	14.2
223.14844	11.9
225.09122	8.0
225.12674	17.4
227.10641	7.8
227.14313	9.8
229.10124	4.9
230.10825	7.2
231.11829	7.1
232.12340	4.6
233.09697	4.1
233.13249	10.1
234.10120	3.8
234.14043	4.3
235.11253	6.8
235.14801	8.2
236.15607	3.6
237.12741	19.7
237.16379	6.5
238.16884	2.9
239.10670	8.5
239.14319	12.0
241.12268	4.4
243.13937	5.2
245.13290	10.6
247.11140	7.0
247.14865	8.6
248.15472	3.5
249.12703	8.0
249.16566	5.1
251.10741	9.7
251.14232	4.7
253.12331	8.2
255.13864	7.8
257.15506	3.8
258.57593	3.4
259.11160	4.9
259.14874	7.3
261.12756	8.4
261.16318	5.7
263.14291	8.2
264.14981	3.7
265.12238	6.8
267.13760	8.3
271.14825	5.3
273.16455	3.6
275.14279	7.4
275.17438	4.0
277.12317	3.8
277.15848	6.3
279.13867	4.9
281.11813	3.3
281.15341	4.1
287.14441	7.6
289.15613	4.7
291.13965	5.5
291.17316	7.1
293.15378	6.3
301.15561	5.1
303.13907	5.3
303.17355	4.5
305.15430	5.0
307.16791	4.1
315.17352	5.4
319.16782	7.7
319.20361	4.6
329.15399	5.3
337.21509	5.0
345.18469	5.0
347.16394	7.3
357.14639	3.5
375.15778	8.6
379.19016	9.3
393.16882	13.4
393.21606	4.8
394.21368	5.0
401.17453	4.3
411.18097	15.2
411.23340	9.8
413.24786	4.2
415.22760	4.0
419.18311	5.6
421.21503	4.3
429.24271	22.0
431.26025	4.5
433.23651	8.0
437.19315	7.4
439.22534	13.7
447.25168	16.7
449.27039	7.0
457.23834	38.8
458.23978	4.1
475.24768	56.4
476.24973	8.1
493.25735	100.0
494.26251	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2586
Annotation	Kadlongilactone B
Peak:m/z	Relative Intensity
52.95888	2.3
55.01871	4.3
59.05014	2.1
63.02393	1.8
67.05502	11.3
69.03429	7.5
69.07039	2.6
69.60252	10.6
79.05515	10.3
79.61926	1.8
81.07064	6.6
81.65835	2.1
85.06569	2.0
87.04438	3.1
91.05480	38.2
93.07050	14.4
95.04972	6.7
95.08601	9.9
97.06509	3.0
105.07031	21.7
107.04964	4.4
107.08577	9.1
109.02854	2.0
109.06528	5.4
109.10149	3.8
111.04440	6.1
111.08092	3.1
112.35210	2.1
115.05457	6.1
117.07039	14.2
119.04958	3.9
119.08586	38.3
121.06491	5.9
121.10138	5.6
123.08067	5.7
128.06259	9.7
129.07005	19.3
131.04941	3.1
131.08556	19.5
133.06558	4.6
133.10149	9.1
135.08055	11.4
137.05977	3.5
139.07558	2.4
141.06999	7.7
142.07840	10.5
143.08575	18.9
145.06494	11.2
145.10135	17.9
146.07266	1.9
147.08049	100.0
147.11670	2.9
148.08398	2.1
149.09605	4.4
153.06981	4.1
154.07753	7.4
155.08571	31.9
155.09781	2.6
156.09335	7.4
156.49255	1.9
157.06494	7.0
157.10130	27.4
158.07303	2.6
159.08052	13.4
159.11713	7.4
161.06009	2.9
161.09601	9.3
163.07597	2.6
165.06967	6.2
165.09123	33.6
166.06502	2.1
166.07794	6.9
166.09367	3.3
167.08534	9.2
168.09354	4.1
169.10147	17.3
170.10794	2.2
171.08051	8.7
171.11707	17.9
173.09593	17.8
173.13257	2.7
175.07558	13.7
175.11253	4.2
177.09145	6.5
178.07755	4.3
179.08559	11.9
180.09344	5.6
181.06491	2.4
181.10130	15.1
182.10818	3.0
183.08095	7.6
183.11662	14.1
185.09608	7.1
185.13260	4.1
187.07405	2.5
187.11128	2.8
189.09154	3.6
192.09288	4.7
193.08568	6.8
193.10138	14.3
193.11647	2.8
194.07222	2.1
194.10876	7.0
195.08076	5.7
195.11688	14.5
196.08777	6.2
196.12396	3.0
197.09612	10.0
197.13293	6.9
199.11191	7.6
199.14810	3.1
201.09122	8.4
203.10689	7.9
205.10182	5.4
206.10886	5.4
207.11786	12.1
208.08873	3.2
208.12482	4.7
209.09625	9.8
209.13199	16.4
210.10374	3.0
210.13988	3.7
211.11166	14.3
211.14867	9.8
213.09087	2.3
213.12764	4.3
217.10205	3.8
217.12225	6.1
219.10106	5.5
219.11917	3.9
220.12373	3.0
221.09599	8.9
221.13239	10.6
222.10329	2.5
223.11220	6.1
223.14828	7.3
225.09116	2.2
225.12759	6.0
225.16444	4.0
227.10829	2.4
231.11758	3.5
233.09665	4.4
233.13237	4.7
235.11179	5.0
235.14746	5.0
237.12794	8.6
237.16472	7.1
239.10675	20.3
239.14310	7.4
241.12250	5.3
243.11678	2.9
245.13342	3.3
247.11159	4.5
247.14877	2.7
248.11801	2.8
249.12688	4.0
249.16434	3.3
251.10878	2.1
251.14330	7.7
253.12212	5.5
253.15945	2.9
255.13832	9.1
257.11777	6.5
257.15497	9.8
259.11163	2.7
259.14902	2.8
261.12695	3.0
263.14505	4.9
265.12521	2.1
265.15756	4.2
267.13867	8.2
269.11768	2.1
269.15375	4.4
271.17206	2.2
273.12659	3.8
273.16348	2.6
275.14182	3.8
277.16046	2.8
281.15485	4.4
283.13330	11.4
283.16940	16.0
287.14410	2.5
291.13702	4.1
291.17105	2.1
309.14740	6.1
319.17142	2.2
327.16037	3.5
339.17322	2.5
377.21143	3.6
391.22739	3.4
393.21774	3.8
399.19455	10.0
403.22729	2.4
409.23425	2.9
411.18427	3.1
411.23282	15.9
414.21927	2.6
415.23203	2.8
417.20639	2.5
421.21365	2.9
427.19174	10.8
429.24329	34.7
431.22052	5.8
432.22653	2.2
439.22696	19.7
442.21332	4.8
445.20081	11.7
447.25327	62.9
448.25772	5.6
449.23016	10.6
457.23764	64.0
457.30353	3.3
458.23862	4.8
460.22113	2.4
463.21042	3.6
475.24783	98.1
475.31784	4.6
476.24969	10.1
478.23392	3.0
493.25916	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.7
55.01866	3.4
55.05497	5.1
65.03916	2.5
66.31017	1.8
67.05508	9.5
69.03426	10.7
69.07056	5.0
70.13463	1.9
70.51208	4.5
70.51553	2.2
79.05499	25.2
81.07058	88.9
83.04994	13.3
85.02908	2.1
91.05476	23.0
93.07038	14.6
95.04976	5.6
95.08623	11.8
97.02886	17.5
97.06540	4.5
97.45448	2.0
99.04484	2.4
101.71134	2.4
105.07037	23.1
107.04949	5.3
107.08622	13.0
109.02889	2.5
109.06522	35.8
109.10170	4.7
111.04462	2.1
111.08077	5.3
115.05460	5.8
116.06271	4.0
117.06994	15.2
119.04950	3.3
119.08582	18.2
121.06512	9.9
121.10175	5.1
123.04460	2.6
123.08099	4.7
128.06213	9.6
129.07004	13.0
130.07726	4.2
131.08572	16.1
133.06522	5.0
133.10130	18.2
135.08047	10.1
137.05978	100.0
137.09584	2.4
138.06323	2.4
139.07504	2.7
141.07025	10.2
142.07806	9.3
143.08539	18.4
144.09270	2.4
145.06470	6.4
145.10115	18.0
147.08064	5.2
147.11694	7.2
149.05922	4.5
149.09633	2.6
151.07526	6.4
153.06975	5.0
154.07780	4.9
155.08559	22.9
156.09326	8.1
157.06502	2.8
157.10144	17.4
158.10774	2.3
159.08080	10.1
159.11707	12.0
161.05956	3.2
161.09624	7.8
163.07530	4.9
165.06998	5.2
167.07133	2.0
167.08551	7.9
168.09319	4.1
169.10143	28.6
170.10898	2.7
171.08057	8.5
171.11667	16.2
173.06113	2.3
173.09654	12.0
173.46957	2.0
175.11188	3.1
177.05525	2.7
177.09145	3.6
178.07863	4.0
179.08542	10.3
180.09314	4.1
181.10155	8.2
182.10938	4.6
183.08089	5.6
183.11729	10.1
184.12350	3.5
185.09604	6.1
185.13274	7.4
187.11226	14.6
189.09128	6.5
189.12872	2.6
191.08560	3.2
192.09415	2.8
193.10170	11.0
194.10936	3.9
195.08109	2.6
195.11655	12.5
196.12416	2.4
197.09650	17.5
197.13228	9.4
199.11143	3.7
199.14798	7.8
201.09052	2.9
203.08604	2.4
203.10684	3.2
204.09407	2.6
205.10159	5.4
206.10864	4.5
207.11665	10.5
208.12354	3.9
209.09647	5.1
209.13258	9.0
210.10246	3.1
211.11200	7.7
211.14914	3.5
213.09091	5.4
213.12807	5.5
215.08745	4.0
215.10648	17.3
215.52971	2.4
216.09381	3.4
217.10237	4.1
219.11650	5.9
220.09027	2.5
220.12492	2.5
221.09657	3.9
221.13290	7.8
223.11172	6.0
223.14818	3.9
225.12660	11.1
225.16420	2.2
227.10802	3.4
227.14314	8.8
229.10129	3.6
229.12163	2.5
229.16141	2.1
230.10954	3.5
231.11691	6.4
232.12489	5.4
233.09567	3.5
233.13396	5.3
234.13922	2.8
235.11180	7.9
235.14760	6.5
237.12799	7.6
237.16383	3.0
239.14291	4.5
243.11728	3.9
243.13844	4.5
244.12413	1.8
245.13380	5.0
246.14078	3.1
247.11113	2.6
247.14877	6.8
248.12057	2.5
248.15665	2.8
249.12880	4.6
249.16261	2.4
251.14244	4.1
253.12173	4.8
255.13896	6.4
256.09918	2.1
256.12375	2.7
259.11365	2.0
259.14816	8.1
260.11899	3.5
261.12790	5.4
261.16409	5.0
263.10498	2.6
263.14392	4.4
265.12405	2.5
265.15982	2.5
267.13803	6.5
272.15384	2.3
273.12823	3.7
273.16309	3.5
274.17090	2.5
275.10941	2.4
275.14307	4.9
275.17654	3.7
277.15759	4.2
277.19391	2.3
279.13962	3.7
281.15457	2.8
286.17151	2.2
287.14459	2.2
289.15945	3.3
291.13806	3.9
291.17361	2.4
293.15366	3.3
301.15817	4.5
302.16733	2.5
303.17447	5.2
309.14612	2.4
315.17117	2.1
315.20712	2.0
319.20578	2.6
321.18546	2.6
329.15225	2.5
329.19128	3.4
331.20514	3.1
337.21649	2.5
345.18173	2.1
347.19888	10.5
349.21710	5.6
359.20468	2.9
365.21106	13.2
405.20401	4.0
411.23126	2.9
429.24506	4.9
433.19882	14.3
439.22675	5.5
447.25970	12.4
449.22800	5.1
457.23935	15.6
475.25577	26.6
476.24908	3.5
493.26764	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40221	3.9
53.03947	9.2
55.01887	7.1
55.05517	22.0
56.51713	3.8
67.05505	30.1
69.03439	8.9
69.07076	7.8
70.55590	9.3
70.55939	5.3
72.09312	4.0
77.72845	3.9
79.05505	19.9
81.03426	8.1
81.07060	28.2
83.04980	61.3
83.08608	4.4
84.92814	3.8
91.05479	36.8
93.07051	49.7
95.04962	16.8
95.08614	50.7
103.05441	5.8
105.07034	48.6
107.04961	9.7
107.08576	21.9
109.06499	11.6
109.10148	7.7
111.04429	40.4
111.08090	22.4
115.05447	8.4
117.07016	17.5
119.07764	6.5
119.08581	59.2
121.06487	19.0
121.10167	9.6
123.08073	17.6
128.06216	16.7
129.06966	23.3
129.62701	4.1
130.07748	5.9
131.08586	32.3
133.06491	10.2
133.10149	38.4
135.08052	11.3
135.11678	4.7
137.05960	8.9
139.07553	11.9
141.06975	17.1
142.07816	20.9
143.08568	42.8
144.09198	3.9
145.06506	18.6
145.10110	31.6
147.08078	21.2
147.11699	18.2
149.05984	6.8
149.09630	9.1
153.07005	10.0
154.07762	5.6
155.08549	25.2
156.09334	5.5
157.06458	11.5
157.10138	37.4
159.04417	4.8
159.08052	18.0
159.11682	16.7
161.06058	6.4
161.09575	21.4
163.07542	4.3
165.07004	13.2
166.07816	5.7
167.07339	4.4
167.08528	22.0
168.09349	8.6
169.06438	7.9
169.10118	16.1
170.07286	4.7
170.10767	5.5
171.08015	25.1
171.11737	21.8
173.05989	8.6
173.09613	30.8
173.13274	6.3
175.07556	23.8
175.11143	15.7
178.07828	7.1
179.08571	18.6
180.09253	6.8
181.10107	14.5
183.08205	8.5
183.11659	15.7
185.09604	30.7
185.13223	7.0
187.07556	5.7
187.11147	19.8
189.09125	14.9
189.12741	5.4
191.10649	5.7
192.09320	15.4
193.10127	18.4
194.10942	8.6
195.08083	23.1
195.11702	22.1
196.12517	5.9
197.05928	8.2
197.09685	21.1
197.13252	11.4
199.07516	9.5
199.11157	15.3
199.14813	6.5
201.09081	14.6
203.08661	5.8
203.10664	8.5
204.09225	5.1
205.10155	10.7
206.10936	11.0
207.11705	16.3
208.08815	6.0
208.12378	4.7
209.09596	14.0
209.13179	14.6
211.07545	8.5
211.11218	31.9
211.14729	7.2
213.09085	25.2
213.12727	4.7
215.10681	5.9
216.09476	5.1
217.08409	7.2
217.10188	13.2
218.10936	7.9
219.11713	19.9
220.08824	8.2
220.12352	7.9
221.09697	13.5
221.13268	17.1
222.10402	7.5
223.11177	22.2
223.14748	4.6
225.09161	7.0
225.12758	17.3
227.10634	5.1
227.14328	8.8
230.10930	8.1
231.09793	20.7
232.12444	7.6
233.13231	13.8
234.10384	5.8
235.11108	24.5
235.14854	12.9
237.12740	25.1
237.16327	6.6
239.10690	7.6
239.14294	14.3
241.12279	9.2
243.11693	9.5
244.12549	8.3
245.09605	13.6
245.13120	13.2
245.15434	9.6
246.10379	8.0
246.13945	7.0
247.11122	17.5
247.14740	11.5
248.11861	6.6
248.15610	5.0
249.09010	10.0
249.12712	11.1
249.16496	6.7
251.10703	10.9
251.14334	10.6
253.12265	14.3
256.12488	5.9
257.13345	10.9
259.11237	13.4
259.14795	8.7
260.11938	8.8
261.12686	15.8
261.16330	14.4
262.13666	6.0
262.17059	4.6
263.10614	7.5
263.14340	15.0
265.12228	17.0
265.15823	10.3
267.13818	7.6
271.14902	8.6
273.16238	8.2
274.13589	6.3
275.10757	6.7
275.14246	21.6
277.12289	7.7
277.15857	5.0
279.13846	5.3
279.17371	13.2
281.11438	20.5
283.13254	6.1
285.12662	5.6
285.16229	6.0
287.14337	8.0
287.17737	7.6
289.12650	4.3
289.15863	21.1
290.16486	8.8
291.13907	10.0
291.17334	8.2
293.15433	9.5
295.16925	5.0
297.16260	4.7
299.14130	5.6
299.17899	7.3
303.13806	4.8
303.17188	6.1
307.13306	11.6
307.16891	17.3
309.18576	4.8
312.18387	5.0
315.13812	7.8
315.17410	10.1
317.15384	17.4
318.15854	5.1
319.20535	6.1
321.14932	7.9
325.17880	13.9
329.15500	6.4
329.19080	6.3
331.16962	5.7
333.18481	7.1
335.16370	18.6
337.17978	11.0
343.16821	13.6
345.18753	4.6
347.19965	6.3
353.17532	7.2
357.18314	5.9
361.17999	12.8
363.19406	6.4
365.21149	13.9
375.19562	5.6
376.20337	6.3
411.23114	19.7
415.22733	7.5
421.21753	8.2
429.24326	54.8
430.24365	6.4
439.22849	33.4
447.25259	36.2
457.23755	79.8
475.24768	100.0
493.25919	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2586
Annotation	Kadlongilactone B
Peak:m/z	Relative Intensity
55.01875	4.3
55.05512	14.1
57.03417	3.7
67.05495	14.6
69.03445	7.6
69.07061	4.7
71.04984	4.6
75.20757	2.9
79.05503	18.0
81.03442	5.6
81.07049	28.3
81.66839	2.8
83.04976	23.3
85.02903	5.5
85.06501	4.3
91.05486	20.8
93.07052	27.9
95.04979	11.3
95.08607	21.7
97.02864	2.9
97.06533	4.4
97.62976	3.0
100.06462	3.2
105.07025	20.3
107.04982	3.4
107.08634	16.8
109.06528	8.5
109.10145	5.7
111.04471	11.4
111.08096	7.5
115.05447	3.6
117.07038	11.7
119.05016	3.6
119.08602	21.8
121.06526	16.7
121.10175	8.0
123.04462	4.5
123.08085	7.4
123.11761	3.8
128.06206	7.6
129.07021	13.4
131.04994	5.6
131.08569	15.0
133.06511	5.8
133.10143	13.2
135.08058	11.2
135.11691	3.3
137.05984	21.4
139.07500	4.2
141.06955	6.4
142.07811	8.5
143.08583	15.2
145.06497	7.5
145.10164	12.2
147.08072	9.1
147.11696	5.0
149.09654	6.4
151.07494	18.1
154.07773	5.5
155.08540	25.1
156.09305	6.5
157.06464	5.0
157.10144	13.4
159.08075	7.3
159.11694	6.2
161.05962	5.1
161.09659	10.0
163.07489	3.7
163.11102	4.0
165.07014	7.6
165.09152	6.2
167.07205	5.8
167.08617	12.7
169.10147	13.8
171.08081	6.3
171.11693	14.5
173.09642	12.4
173.13292	5.2
175.11209	10.6
177.09148	7.0
179.07091	4.2
179.08594	12.6
180.09314	7.2
181.06491	4.2
181.10168	9.6
183.11668	7.1
185.09622	8.8
187.11150	5.5
189.09126	5.1
191.10728	5.9
192.09337	4.1
193.10095	8.8
194.10840	3.9
195.08025	11.0
195.11729	14.0
197.09673	8.6
197.13293	6.0
201.09128	5.6
203.08765	5.3
203.10692	6.1
205.10185	8.3
206.10957	4.3
207.11719	12.0
209.09692	6.2
209.13275	11.1
211.11131	6.9
211.14832	4.7
213.09201	3.8
213.12755	4.5
215.10742	8.9
216.09276	5.1
218.10930	6.0
219.11780	7.1
220.12413	3.7
221.09761	3.8
221.13347	7.5
223.11320	6.7
225.12735	6.6
227.14240	3.8
229.10123	6.6
230.10841	4.4
231.11702	8.2
233.13286	5.5
237.12720	10.5
241.12248	8.8
242.13214	3.1
243.11710	9.2
244.12445	5.4
245.13318	10.1
246.14076	4.8
247.11217	7.4
249.12782	7.3
255.11501	3.3
255.13863	11.2
257.13150	8.8
257.15585	3.3
258.14124	4.5
259.11249	4.5
259.14767	3.6
260.15482	4.2
261.12698	5.7
263.10757	3.2
263.14307	3.7
267.11511	3.5
271.14847	9.9
272.15558	4.3
273.12891	5.6
273.16220	5.7
275.14505	4.4
275.17917	3.2
283.14880	7.4
285.12924	3.8
285.16489	5.1
287.14529	4.2
289.15964	7.2
299.14459	7.5
317.15417	7.2
319.16797	3.7
331.17087	4.1
345.18356	5.8
347.20038	5.6
358.19315	3.3
399.23297	3.3
411.23160	8.9
413.24860	4.5
429.24323	24.0
431.25839	7.7
439.22531	19.4
445.23492	15.3
447.25443	6.2
457.23645	56.5
457.29596	4.7
458.23883	6.5
475.24869	55.0
476.25198	5.7
493.25916	100.0
494.26294	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	3.4
55.01855	5.0
55.05503	13.6
65.03915	3.5
67.05502	18.7
69.00974	3.7
69.03418	9.5
69.07077	23.7
69.07504	13.4
79.05491	13.9
81.07061	21.8
81.16007	3.4
83.04984	27.3
91.05475	26.0
93.07046	36.4
95.04965	13.9
95.08596	25.7
97.02866	7.6
100.72588	3.4
103.05499	4.3
105.07028	39.5
107.08600	17.2
109.06513	14.2
111.04442	16.1
111.08064	5.8
113.05988	3.2
113.55141	3.4
117.07014	9.2
119.08577	25.7
121.06512	18.7
121.10144	5.6
123.08065	12.8
128.06195	11.3
129.07042	18.8
131.08560	21.5
133.06500	12.3
133.10143	12.2
135.08066	23.2
137.05980	14.7
137.09587	4.7
139.07544	4.4
141.06970	9.6
142.07790	18.2
143.08562	21.2
144.09349	7.6
145.06488	8.3
145.10127	20.8
147.08038	14.8
147.11684	6.1
149.05923	5.1
149.09665	5.2
151.07549	10.5
153.06999	8.9
154.07733	6.2
155.06021	3.4
155.08556	20.9
156.09325	9.3
157.06541	6.5
157.10133	29.3
159.08066	13.3
159.11664	9.2
161.05923	6.4
161.09602	14.0
165.06992	13.7
165.09068	5.8
166.07759	7.6
167.08559	10.5
168.09332	5.3
169.10107	17.7
171.08044	9.9
171.11693	19.9
173.09668	16.9
173.13251	4.7
175.11234	14.3
178.07874	4.7
179.08514	12.2
180.09291	6.9
181.10118	17.0
182.07361	4.1
182.10893	5.9
183.08012	5.8
183.11656	11.4
183.67320	3.8
185.09662	17.3
185.13220	5.9
187.07651	4.3
187.11180	11.9
189.09154	4.7
189.12640	4.7
191.10712	8.4
192.09300	5.0
193.10139	10.7
194.10895	8.6
195.07968	8.7
195.11650	17.0
197.09584	17.5
197.13295	11.3
199.11188	11.7
203.08771	5.6
203.10663	10.8
205.10132	6.7
206.10918	4.2
207.11717	10.3
208.08708	5.1
208.12427	3.4
209.09650	8.2
209.13313	17.1
211.11153	8.5
213.09177	6.2
213.12738	4.8
215.10684	11.7
217.10156	7.4
217.12166	4.7
218.10822	3.9
219.11725	7.6
220.12363	6.6
221.11610	7.8
221.13448	8.1
223.11191	12.5
223.14786	4.1
225.12743	9.1
227.14328	7.4
231.11797	5.9
233.09572	4.8
233.13245	8.9
235.11176	10.1
235.14839	7.1
236.12193	3.9
237.12724	10.8
239.14230	5.0
241.12170	10.6
245.13268	12.0
247.10968	5.3
247.14911	7.7
249.12691	10.6
253.12251	4.9
255.13937	8.8
257.13260	6.0
259.11160	4.9
259.14914	4.3
261.12720	6.4
263.14490	6.8
267.13885	6.1
269.13318	4.3
270.14038	4.8
271.11111	4.0
271.14972	3.8
273.16452	4.9
275.14322	5.8
277.12424	3.7
283.04459	3.6
285.12561	4.8
287.14258	6.6
289.15915	6.4
289.19257	3.6
295.97031	4.1
297.12805	4.1
303.17581	4.4
313.17911	3.8
315.19556	7.5
317.15424	7.9
319.16705	5.9
327.17572	4.9
329.15347	3.8
329.19028	5.2
347.20062	7.3
387.22980	4.2
393.22156	6.0
401.17377	4.0
401.24701	10.2
411.23135	13.6
421.21310	4.2
429.24100	33.0
431.25888	7.5
439.22699	20.4
447.25388	27.1
457.23773	67.1
475.24780	75.1
476.25058	5.7
493.24399	100.0
494.25314	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54499	6.7
55.01865	14.1
55.05510	30.9
67.05498	46.9
69.03430	14.4
69.07072	11.1
69.08427	37.7
69.08855	26.6
71.04985	6.8
79.05502	36.4
81.03416	33.4
81.07059	48.0
83.05002	51.3
91.05479	55.8
93.07040	61.3
95.04992	33.8
95.08611	65.4
97.10139	9.7
103.05458	9.6
105.07011	48.2
107.04948	15.7
107.08607	37.0
109.06513	15.1
109.10165	29.6
111.04432	27.8
111.08090	26.5
115.05415	11.9
117.07038	20.8
119.08582	51.0
121.06511	27.7
121.10121	9.4
123.08055	24.7
125.09653	8.5
128.06177	11.3
129.07014	21.4
131.08572	36.0
133.06450	12.3
133.10120	38.7
135.08125	8.2
137.05965	17.4
139.07489	9.9
141.07077	11.0
142.07800	11.7
143.08557	31.4
145.06479	14.3
145.10098	31.3
146.07278	10.3
147.08034	21.3
147.11697	17.6
149.05972	12.4
151.07545	87.1
153.07079	7.5
155.01152	8.2
155.08514	19.4
157.06532	9.5
157.10126	41.1
159.08061	23.2
159.11693	16.5
161.05940	10.2
161.09634	23.7
163.11183	10.6
165.06934	9.7
165.09100	14.6
167.08577	19.8
169.10161	35.4
170.10800	12.5
171.08073	21.5
171.11681	20.9
172.08775	7.7
173.09648	38.1
175.07574	15.1
175.11215	23.2
177.46468	6.9
178.07764	11.0
179.08597	8.3
181.10046	13.2
183.11574	10.9
185.09616	23.9
187.07642	12.1
187.11215	17.5
189.09106	16.2
190.38998	8.2
191.10716	15.5
192.09386	15.4
193.10153	16.2
193.12151	14.0
194.10995	8.6
195.08128	10.5
195.11726	20.2
196.08830	8.0
197.09593	14.7
197.13242	12.9
199.11246	19.2
201.09111	10.5
203.10609	15.7
205.10185	12.1
206.10794	8.5
207.11688	23.0
209.09700	12.2
209.13269	15.7
211.11234	19.1
213.09172	13.5
213.12839	13.3
217.10184	10.0
218.10872	10.6
219.11670	16.4
221.13260	10.2
222.10336	8.6
223.11256	7.5
223.14809	11.4
225.12814	13.5
227.10600	10.6
231.10176	12.4
232.12456	10.0
233.13202	12.3
235.14708	12.5
237.12784	14.8
239.10638	11.7
239.14299	15.2
241.12291	10.7
245.09642	11.4
245.13327	9.1
247.14960	9.6
249.12756	14.1
253.12256	21.2
255.13985	13.4
259.07755	7.9
259.10956	8.6
261.12680	17.2
263.10806	10.7
263.14398	14.1
265.12302	13.5
273.11154	12.1
275.14169	10.0
277.12308	10.8
291.17316	9.5
303.13797	8.5
305.15320	8.6
307.16980	15.4
312.18790	7.9
317.15350	10.9
319.16989	9.7
337.17847	15.2
401.24902	8.3
411.23358	11.4
429.24545	38.4
431.25858	9.6
439.22629	31.1
447.25287	50.2
457.23795	74.4
475.24890	100.0
493.26080	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2583
Annotation	Kadlongilactone B
Peak:m/z	Relative Intensity
51.02390	2.0
53.03957	2.9
55.01870	3.6
55.05516	9.6
60.01470	1.2
64.92519	1.2
65.03943	3.8
67.05499	14.4
69.03420	6.3
69.07071	3.6
69.49769	7.8
71.04997	2.0
79.05492	13.1
81.03405	1.4
81.07046	9.0
83.04983	17.6
87.10302	1.2
87.83795	1.4
91.05477	31.3
92.05785	1.5
93.07037	27.0
95.04964	10.5
95.08603	24.8
97.02892	2.1
97.06548	3.0
98.23408	2.1
103.05461	3.3
105.03389	8.3
105.04501	2.7
105.07029	31.0
106.03771	1.3
107.04958	2.7
107.08595	15.1
109.06503	8.3
109.10188	4.3
111.04436	12.8
111.08072	8.5
115.05484	3.3
117.07019	12.2
119.04903	5.7
119.08575	52.8
120.08932	2.2
121.06493	7.9
121.10126	7.8
123.08092	7.5
125.02376	3.4
125.06014	2.1
128.06212	7.3
129.07007	11.0
130.07796	2.8
131.04912	2.0
131.08560	19.4
133.06497	7.6
133.10124	21.0
135.08044	8.5
135.11737	2.3
137.05945	2.0
137.09601	3.0
139.03911	4.9
139.07553	6.0
141.07010	4.6
142.07748	8.7
143.08553	19.2
144.09319	3.4
145.06503	6.6
145.10126	18.0
146.07266	2.0
147.04427	2.2
147.08044	27.4
147.11688	13.4
149.06050	1.6
149.09610	6.4
151.07559	1.4
153.05475	5.0
153.06921	1.9
154.07771	2.6
155.08498	8.4
156.09364	7.2
157.06494	3.5
157.10112	21.9
158.07307	2.8
158.10831	1.7
159.08063	10.1
159.11679	12.0
160.08833	1.3
161.05994	2.3
161.09619	8.4
163.03891	1.8
163.07539	2.1
163.11252	2.5
165.05539	1.2
165.07048	4.7
166.07762	2.1
167.07211	1.3
167.08543	5.8
168.09335	2.1
169.06516	1.6
169.10129	11.9
170.10886	3.8
171.08066	6.8
171.11664	13.8
172.08821	3.6
173.09627	11.2
173.13258	2.4
174.71622	1.3
175.03976	2.1
175.07544	3.6
175.11156	7.6
177.05481	1.5
177.09157	1.7
179.07072	4.5
179.08575	5.8
181.10130	6.9
182.10896	3.4
183.08073	3.4
183.11707	11.1
184.08727	1.4
184.12347	1.8
185.09615	9.7
185.13213	5.7
186.10234	1.4
187.07591	4.6
187.11159	13.2
189.05521	3.3
189.09114	5.4
189.12715	5.8
191.07053	9.2
191.08525	1.7
191.10677	1.6
192.09338	3.7
193.08565	4.3
193.10176	6.2
194.10918	4.1
195.08081	3.3
195.11674	6.9
196.08884	1.9
196.12424	2.1
197.09663	5.4
197.13231	7.8
198.10220	1.6
198.14041	1.5
199.07571	1.4
199.11169	11.5
199.14729	6.5
201.09123	2.1
201.12659	7.0
203.08763	2.2
203.10687	7.3
203.14374	2.3
204.09274	1.5
205.08585	4.7
205.10278	2.9
205.12192	1.7
206.10941	4.7
207.10069	4.1
207.11765	8.6
208.12387	2.4
209.09654	7.1
209.13239	8.4
210.10397	3.2
210.14044	1.4
211.11205	8.8
211.14850	4.6
213.09174	3.0
213.12779	5.9
214.13556	2.3
215.07121	2.3
215.14314	3.2
217.08508	2.3
217.10332	1.6
219.11732	3.6
220.12462	2.4
221.09651	2.3
221.13213	7.3
222.10414	2.1
222.14040	1.4
223.11223	7.9
223.14819	3.4
224.11964	3.6
224.15349	1.5
225.12674	7.9
227.07051	1.5
227.10744	2.3
227.14354	9.1
229.08398	1.7
229.10318	1.9
229.12277	1.6
231.10194	5.3
233.13287	4.5
234.13957	2.4
235.11171	4.2
235.14864	4.5
236.11801	1.4
237.12721	6.1
239.06990	1.9
239.10666	2.4
239.14297	16.1
239.18040	1.9
241.15924	1.8
243.13809	1.7
244.12495	1.7
245.13248	2.8
245.15439	3.8
247.11359	2.8
247.14888	4.0
249.10962	8.9
249.16344	2.6
251.10684	2.6
251.14297	3.7
253.12238	3.7
253.15874	2.3
257.13287	2.3
257.15585	1.5
258.14011	1.3
259.14841	3.0
260.12222	1.4
261.12717	3.6
261.16458	2.1
262.13678	2.2
263.14362	4.8
263.17871	2.1
265.12247	1.6
267.06454	1.8
267.09961	1.9
267.13953	1.8
267.17386	2.8
269.11713	1.8
272.15189	1.8
273.12604	1.7
273.16312	3.2
275.14255	3.4
277.08481	1.3
277.12671	1.6
277.15933	5.8
279.17337	1.7
281.11664	6.5
283.13333	2.7
285.16220	1.7
287.14307	1.6
289.12427	1.4
289.15826	2.7
291.14084	2.0
291.17410	3.3
293.11499	1.6
295.13843	1.7
295.16885	7.7
299.09021	1.4
299.17841	1.5
301.15594	2.0
303.17252	1.5
307.13229	2.8
313.17953	13.3
315.17548	2.4
317.15204	1.5
317.18762	1.9
319.13388	2.8
321.14771	1.3
330.19763	1.6
331.12103	1.7
331.20349	1.7
333.14969	2.9
333.18530	2.4
335.16431	4.1
335.19965	1.7
347.16241	1.6
349.17841	1.5
353.17960	1.8
361.17975	5.0
363.19580	2.8
376.20328	2.4
379.19159	5.2
383.23505	2.1
387.19464	1.7
401.24725	4.7
403.26480	1.9
411.23090	5.0
413.24622	2.5
429.24237	11.3
430.24649	1.4
431.25897	4.9
439.22525	5.4
447.25409	12.2
449.27002	2.9
457.23706	25.4
458.24072	1.9
475.24731	100.0
476.25153	12.2
493.25558	30.3
494.26065	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.8
55.01865	5.4
55.05518	13.7
57.03426	3.0
65.03934	3.4
67.05504	23.8
69.03423	9.7
69.07059	5.0
69.09475	25.3
72.91206	2.7
74.07500	2.9
79.05495	18.2
80.75314	2.9
81.07043	24.6
83.04984	24.9
90.03174	2.7
91.05487	30.4
93.07039	44.8
95.04987	14.2
95.08604	32.2
96.06590	2.9
97.02865	3.7
97.06527	6.6
98.23373	6.5
103.05448	3.4
105.07021	38.9
107.04916	3.1
107.08606	20.1
109.02856	4.9
109.06522	18.8
109.10150	4.0
111.04458	9.0
111.08061	11.8
115.05447	4.8
117.06987	11.6
119.04910	2.9
119.08546	25.0
121.06503	28.3
121.10144	8.3
123.04406	3.0
123.08063	8.8
123.11733	7.2
125.05999	3.8
128.06268	8.4
129.07013	15.5
131.08559	20.9
133.06453	6.9
133.10133	25.6
135.08040	21.7
137.05991	16.8
137.13348	2.8
139.07550	6.3
141.06981	11.2
142.07745	12.9
143.08565	22.8
144.05638	4.0
144.09305	3.2
145.06493	9.4
145.10127	16.8
146.07315	5.1
147.08061	16.2
147.11705	6.8
149.09593	7.5
151.07541	15.4
152.06183	3.1
153.06960	8.3
154.07722	6.9
155.08556	23.0
156.09317	10.3
157.06494	5.9
157.10107	17.7
158.07277	5.1
159.08044	18.4
159.11668	11.2
160.08804	5.7
161.05994	3.8
161.09621	55.7
163.07516	8.5
163.11185	6.6
165.06984	11.3
166.07596	3.8
167.08554	11.7
169.10107	23.4
170.10846	3.8
171.08047	11.6
171.11636	18.7
172.08772	5.2
173.09598	17.4
175.07530	7.8
175.11186	7.6
177.09044	3.0
178.07750	5.1
179.08560	19.8
180.09280	8.6
181.06447	5.0
181.10117	12.3
182.07245	3.9
183.08005	10.5
183.11688	9.3
183.13773	5.4
185.09648	14.1
187.07448	4.2
187.11159	13.1
189.09116	22.0
191.08569	3.9
191.10568	3.9
192.09386	9.8
193.10149	13.1
194.10895	7.8
195.08046	10.2
195.11661	19.9
196.08778	6.3
196.12302	3.2
197.06117	3.8
197.09602	20.5
197.13242	8.0
198.10410	4.6
199.07556	3.5
199.11205	14.8
201.09195	3.8
202.07881	4.7
203.08742	6.2
203.10629	46.9
204.09352	4.0
205.10094	5.0
206.10944	8.8
207.08223	3.7
207.11676	24.1
209.09665	12.1
209.13258	15.8
210.10344	5.0
210.13812	3.2
211.11179	11.0
211.14693	4.6
212.11882	3.6
213.09044	7.1
213.12656	8.4
215.10648	11.0
216.09232	5.0
217.10164	6.4
217.12120	4.9
218.10831	3.6
219.11644	7.3
220.08813	3.8
220.12282	6.2
221.09659	7.6
221.13264	7.7
222.10336	6.0
223.11172	9.6
223.14714	5.5
225.12637	8.6
227.10555	4.2
227.14188	3.7
229.10149	7.4
230.10858	3.8
231.11626	9.0
232.12376	4.5
233.09669	5.0
233.13242	11.9
234.10387	5.6
234.14044	4.7
235.11127	13.3
235.14694	6.4
236.11653	3.8
237.09032	3.8
237.12799	13.9
238.13489	4.5
239.10641	3.7
239.14439	6.9
241.12204	7.5
242.10751	3.5
243.11629	11.8
243.13844	8.6
244.12444	6.3
245.09546	3.8
245.13257	9.5
246.10379	5.0
247.11191	8.4
247.14906	3.7
249.12656	10.7
251.14293	7.1
253.12251	6.0
255.13889	19.5
257.13315	6.5
258.13928	6.8
259.11176	6.9
259.14795	8.5
260.11972	4.0
261.12735	15.8
261.16394	4.2
263.14215	9.6
263.17920	3.7
265.12173	4.5
265.15903	4.0
267.13882	6.8
269.13043	5.6
271.14890	4.9
273.12750	6.9
273.16443	9.0
275.14276	13.0
275.17670	3.3
276.14896	4.1
277.12546	3.4
277.15872	10.7
279.13721	9.8
282.13986	3.7
285.12704	4.4
287.14398	7.3
287.17963	4.4
289.12076	4.8
289.15857	6.0
291.17502	4.4
293.15292	7.3
295.16885	4.3
298.16959	3.4
299.14188	5.5
300.15198	3.3
301.12418	3.2
301.15839	11.7
303.13800	6.2
305.15317	4.1
310.30338	3.1
315.17410	6.5
317.15430	7.5
317.19034	4.7
319.16879	9.5
333.18454	5.5
337.18073	5.2
343.16989	8.3
345.18332	7.6
347.20142	4.9
357.18512	4.9
361.17789	11.9
379.18936	16.8
397.21664	7.4
411.23166	14.9
413.24716	5.9
415.22672	11.8
421.21558	11.9
429.24185	29.9
431.25858	13.7
439.22650	38.5
447.25159	12.3
457.23703	100.0
458.24182	7.2
475.18619	5.9
475.24869	86.7
476.24872	11.3
493.25809	94.7
494.25589	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2926
Annotation	Kermadecin F
Peak:m/z	Relative Intensity
55.05521	0.9
67.05511	1.1
69.03416	0.5
70.18369	1.5
70.41061	0.4
79.05507	0.4
81.07063	0.6
83.04974	0.8
91.05492	1.8
92.78583	0.4
93.07048	1.5
95.04956	0.4
95.08619	1.0
97.06502	0.4
105.07047	1.3
107.08596	0.8
107.14674	0.4
109.10240	0.6
111.04438	0.6
111.08046	0.5
117.07057	0.6
117.34118	0.4
119.08627	1.2
121.06463	0.6
121.10197	0.5
126.07056	0.4
129.07001	0.7
131.08588	0.7
133.10167	0.6
135.08067	0.6
137.05995	0.5
141.06993	0.5
145.06493	0.4
145.10126	0.6
147.08110	0.5
147.11714	0.6
155.08507	0.5
157.10106	0.7
159.08121	0.5
159.11765	0.6
165.05536	0.7
165.06902	0.5
167.08601	0.4
169.10132	0.7
171.11740	0.4
179.08607	0.4
181.10191	0.4
183.11722	0.6
187.11235	0.4
188.81158	0.4
195.11520	0.6
197.09636	0.7
197.13457	0.4
199.11226	0.4
203.10809	0.5
205.10324	0.4
207.11746	0.7
211.11328	0.5
219.11839	0.5
221.13277	0.8
223.11157	0.5
235.14735	0.5
246.14001	0.5
277.15790	0.5
337.17966	0.5
367.86786	0.4
405.24213	1.0
429.24377	0.8
435.25098	3.7
445.27206	5.7
457.24002	0.7
463.28162	1.2
475.23639	0.5
475.28287	2.1
493.29318	100.0
494.29391	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
55.05496	0.9
65.47800	0.9
67.05511	3.8
69.07079	1.6
71.32073	1.5
72.19778	0.9
79.05482	1.7
81.07053	3.4
83.04967	0.9
83.08633	1.3
91.05470	1.4
93.07081	2.2
95.04990	2.5
95.08625	3.5
98.23297	1.1
98.98485	2.4
102.72013	0.9
105.03397	22.6
105.07051	1.7
106.03743	3.7
107.08596	1.5
109.10149	1.8
117.07046	1.1
121.10146	1.4
125.00084	0.9
131.08578	1.7
133.10133	2.0
135.11714	0.9
139.70149	0.9
145.10114	0.9
149.05759	4.2
151.07549	1.4
155.00948	1.9
198.16226	0.9
225.82019	0.8
284.23096	0.8
297.47049	1.1
306.31583	1.0
339.28961	3.4
369.23471	0.9
370.17285	2.2
371.17603	4.3
393.23987	100.0
394.24323	7.9
411.25180	1.2
435.24966	3.7
475.25998	0.9
493.32635	12.8
494.33026	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
67.05502	3.2
69.07070	1.9
79.05521	1.1
81.07037	2.8
91.05483	1.9
93.07053	3.4
95.04978	2.7
95.08598	3.1
98.23385	1.7
105.03396	23.1
105.04491	1.5
105.07074	2.0
106.03721	4.3
109.10178	1.9
119.08508	1.1
120.08092	1.0
134.58684	0.9
149.05754	2.7
159.11838	1.1
180.65250	1.0
205.06529	1.4
235.13110	0.9
393.23978	100.0
394.24313	7.4
411.24969	3.5
434.26935	1.7
435.25079	27.2
436.25656	1.3
475.25009	1.2
493.28656	20.2
494.29462	2.7
495.73935	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2948
Annotation	Kermadecin C
Peak:m/z	Relative Intensity
53.03944	2.1
53.93929	1.3
55.01871	1.4
55.05514	8.0
57.03437	4.0
57.07084	2.1
59.95900	1.4
62.03420	1.2
66.72209	1.5
67.05507	16.6
69.03436	3.0
69.07061	8.7
69.24555	3.6
69.24963	6.6
73.06590	1.2
77.60454	1.2
79.05494	10.4
81.03429	2.6
81.07063	11.6
83.04977	8.8
83.08619	4.1
84.67430	1.5
89.42449	1.5
91.05469	10.6
93.07041	16.3
95.04978	4.4
95.08607	25.7
97.06535	4.1
97.10184	2.4
98.23263	3.8
98.98476	4.9
105.03410	2.1
105.07021	15.3
105.07571	1.4
107.04967	1.4
107.08596	12.1
109.06512	2.1
109.10162	7.9
111.04456	5.7
111.08100	4.1
115.05441	2.1
117.07027	4.7
119.04960	2.0
119.08569	17.0
121.06526	6.0
121.10138	7.1
123.08070	5.7
125.05999	1.8
128.06197	2.8
129.07030	5.4
131.05008	1.6
131.08551	10.4
133.06546	2.5
133.10120	7.7
135.08063	2.3
135.11699	3.1
136.07672	1.4
137.05969	1.9
139.07597	2.2
141.06993	3.9
141.09123	1.4
142.07809	4.5
143.08582	12.7
145.06485	3.2
145.10123	9.6
147.08076	4.7
147.11707	4.5
149.09653	2.5
153.05461	2.2
153.07025	3.3
154.07834	1.4
155.01068	6.0
155.08577	9.5
156.09346	5.3
157.10130	12.7
159.08076	9.5
159.11681	12.7
161.09641	4.0
161.13266	1.5
165.07048	3.7
167.08528	6.8
168.09419	2.0
169.10143	11.7
170.10880	2.4
171.08130	3.0
171.11665	8.5
173.09673	4.0
173.13220	1.4
175.11237	1.7
179.08615	4.4
179.16440	1.4
180.09328	3.8
181.10101	9.8
182.10812	2.0
183.08063	2.5
183.11732	8.1
185.09613	4.7
185.13336	4.6
187.11162	4.1
189.12820	2.7
192.09396	2.5
193.10179	5.6
193.12009	1.8
194.10898	3.3
195.08084	4.4
195.11688	12.2
196.12550	2.4
197.09717	4.9
197.13277	7.8
199.11252	3.1
199.14856	2.8
204.09442	1.7
205.10185	1.8
206.10938	3.9
207.11742	8.8
208.12433	4.1
209.09700	3.4
209.13274	9.1
210.10410	2.2
210.13953	1.7
211.11273	4.5
211.14883	5.9
213.12793	1.7
217.10237	1.6
219.11751	4.7
220.12534	2.8
221.13278	6.3
222.14197	2.0
223.11246	3.9
223.14873	5.8
225.09259	1.7
225.12781	4.9
225.16409	2.1
227.10712	1.7
227.14348	6.2
233.13237	4.2
235.11148	2.9
235.14833	3.7
236.11887	1.7
237.12704	9.3
237.16441	6.0
239.14359	5.5
239.18085	1.7
244.12508	1.7
247.11188	1.8
249.16525	2.9
251.14433	4.1
251.18065	2.7
253.15984	2.2
253.19786	1.4
255.10242	2.0
255.13937	1.6
259.14810	4.2
261.16486	2.5
263.14246	1.8
265.16049	3.5
265.19510	3.4
267.13702	2.5
269.11780	3.5
275.14841	1.6
275.18048	5.3
277.16077	2.7
279.13901	2.2
279.17673	2.7
285.14908	2.7
287.16592	2.8
291.17441	2.5
293.19040	6.0
299.16312	3.2
313.18057	3.1
325.18094	2.3
335.20157	3.0
337.18234	2.0
339.28961	10.6
353.21118	7.5
391.26526	3.1
394.25134	1.5
405.23764	1.5
405.28503	1.6
415.26505	8.4
429.25150	1.3
433.27390	40.6
434.27798	3.4
443.25818	10.0
447.25488	3.0
457.23590	1.8
461.26865	5.2
475.23621	2.0
475.28470	6.8
479.27881	4.3
493.29623	100.0
494.29868	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41761	0.6
53.03938	1.3
55.01873	0.9
55.05511	4.0
57.03443	0.8
67.05509	11.2
69.03432	2.4
69.07066	1.6
70.52594	0.9
70.52924	1.4
71.04974	1.2
79.05486	3.5
81.03420	1.9
81.07065	8.3
83.04974	1.9
83.08614	1.3
83.98028	0.8
85.06546	3.0
91.05489	5.1
93.07050	7.4
95.04970	3.0
95.08606	23.5
97.02913	0.7
97.10153	1.2
98.23293	0.7
99.04461	1.2
105.07053	5.1
107.04955	1.2
107.08601	4.1
108.05722	1.5
109.10162	6.7
111.04431	2.9
111.08092	1.8
113.06012	2.5
113.09633	0.8
115.05420	0.8
117.07007	1.0
119.04893	0.6
119.08578	2.4
121.06509	2.5
121.10136	2.4
123.08067	13.3
123.11687	2.2
129.07004	1.2
129.09125	1.3
131.08542	2.2
133.10110	2.7
135.08051	3.0
135.11777	1.5
137.06015	2.3
137.09596	2.5
139.07550	1.0
141.09085	5.7
143.08617	1.0
145.06483	0.6
145.10147	2.6
147.08032	0.8
147.11679	2.0
149.09567	2.1
151.07541	100.0
152.07881	2.9
152.92397	0.7
155.08577	1.0
157.10110	1.2
159.08049	1.3
159.11707	1.3
161.09601	1.5
163.07576	0.9
163.11171	2.7
165.09081	4.5
167.08714	0.8
169.08649	1.6
173.09651	2.9
175.07550	0.9
175.11217	2.5
176.08237	1.6
177.09123	6.9
179.08513	0.8
181.10103	0.9
183.10179	0.7
185.09615	0.7
187.09665	4.1
187.11157	1.0
188.08240	0.8
189.09048	1.7
189.12755	1.6
191.10664	22.8
192.11029	1.1
193.10194	1.0
193.12141	1.2
195.11755	1.2
197.13272	1.2
199.11320	0.9
201.12750	1.1
203.10663	2.7
203.17996	0.7
205.12250	9.1
207.11732	0.9
209.09651	0.7
209.11632	0.8
211.11235	0.8
215.10738	1.1
217.12198	1.2
221.13449	0.7
227.53575	0.8
237.12746	1.0
255.13628	0.9
259.17020	1.6
272.91714	0.7
285.18506	1.8
303.19626	5.1
326.34601	0.7
384.00104	0.7
411.28922	1.5
412.28821	0.7
429.24185	0.9
429.30066	2.3
457.23856	1.1
457.29602	1.1
475.24966	2.7
475.30853	1.3
493.25507	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01870	1.9
55.05511	4.8
57.03438	1.1
57.07079	0.7
67.05177	1.1
67.05506	13.3
69.03427	3.0
69.07069	3.5
70.46425	1.8
71.04986	1.4
79.05509	6.0
81.03399	3.2
81.07059	13.4
83.04990	3.4
83.08604	2.5
85.00281	0.6
85.06549	3.2
91.05491	7.7
93.07042	9.5
95.04966	4.0
95.08609	23.4
97.02870	1.1
97.06529	1.4
97.10153	0.8
99.04446	1.7
99.08068	0.8
101.06001	0.8
103.05449	0.7
105.04543	0.7
105.07034	7.5
107.04943	1.6
107.08606	6.0
108.05730	1.1
109.06508	3.0
109.10163	7.0
111.04462	3.7
111.08082	2.1
113.06007	2.1
113.09605	0.8
117.07001	1.9
119.08566	5.7
120.08939	0.8
121.06522	2.8
121.10133	5.1
123.04446	1.4
123.08072	14.0
123.11689	2.5
125.05965	0.8
125.09649	2.0
128.06206	1.4
129.07011	1.9
129.09109	1.0
131.04802	0.7
131.08592	5.0
133.06451	1.5
133.10136	3.8
135.04449	0.7
135.07195	0.6
135.08046	3.2
135.11693	3.2
137.05977	7.1
137.09592	2.4
137.13258	0.9
139.07549	1.2
141.06995	0.8
141.09100	5.4
141.10107	0.7
142.07797	0.9
143.07513	0.7
143.08560	2.7
145.06464	1.1
145.10138	4.3
147.08051	1.4
147.11708	2.0
149.09630	3.3
149.13263	1.3
151.07541	100.0
152.07883	3.4
153.05499	1.8
153.06894	0.6
153.12735	1.1
155.08542	3.5
155.10654	0.9
156.09369	0.9
157.06508	0.9
157.08690	0.9
157.10109	3.0
159.08060	2.3
159.11678	2.4
161.09592	2.4
161.13271	1.4
163.07555	1.8
163.11195	3.4
165.07019	1.0
165.09123	11.4
165.12770	0.7
166.07762	0.8
166.09428	1.7
167.07027	1.7
167.08559	1.4
169.08684	1.3
169.10127	1.7
171.07997	0.9
171.11717	1.4
173.09648	2.4
173.13258	1.3
175.07538	1.9
175.11179	3.2
176.08340	1.2
176.25652	0.7
177.09123	8.2
177.12901	0.6
179.08574	1.5
179.22397	0.7
181.10126	1.8
183.11713	1.4
185.04051	0.7
185.09628	1.8
185.13159	0.6
187.07552	0.9
187.09637	2.8
187.11205	2.3
189.09152	3.0
189.12727	2.1
191.08894	1.1
191.10651	21.6
192.11008	0.8
193.08531	1.2
193.10139	1.8
193.12265	2.2
195.08087	2.0
195.11665	2.0
197.09700	1.5
197.13268	1.5
199.11188	2.2
201.09309	0.6
201.11142	0.7
201.12915	1.3
203.10713	2.4
205.10294	1.1
205.12224	7.5
206.10912	1.0
207.11768	2.2
209.09637	1.5
209.11725	2.2
209.13396	1.0
210.13812	0.7
211.11296	1.0
211.13164	0.9
213.16519	0.7
215.10686	1.1
217.10135	0.8
217.12190	1.7
219.11765	1.3
219.13710	1.0
220.12401	1.1
221.13382	0.9
223.11290	0.8
225.09097	0.6
225.12698	1.1
227.10716	0.7
227.12631	0.8
229.12247	1.0
231.11717	1.0
231.13942	1.0
233.13344	1.0
235.11157	0.9
237.12802	1.1
243.11702	0.8
243.13942	0.8
245.13219	1.5
247.11256	0.7
247.14813	0.9
251.14291	0.7
255.13823	1.5
259.17072	1.3
267.13657	1.0
285.18594	1.0
303.19537	3.2
317.15170	0.7
317.21100	0.7
337.23911	1.2
347.19785	0.7
365.21185	0.9
383.22446	1.1
411.28967	2.5
429.24673	1.2
429.29932	3.6
431.16934	0.9
433.24115	0.8
439.28281	0.9
446.24088	0.8
447.25174	1.6
457.29248	2.0
475.24857	4.2
475.30756	1.5
493.16678	14.0
493.25821	13.7
494.17023	1.0
494.25757	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3288
Annotation	bis(7)-Tacrine
Peak:m/z	Relative Intensity
51.58227	0.4
51.88918	0.4
55.05501	0.6
56.19627	0.4
63.45159	0.4
67.05511	1.3
69.07079	0.7
79.05494	0.6
81.07062	1.0
83.04946	0.5
91.05505	0.7
93.07040	1.4
95.08625	1.7
98.14529	0.4
98.22594	1.3
105.03423	0.5
105.07004	1.0
107.08611	0.9
109.10155	0.7
119.08582	0.7
121.10104	0.9
129.06982	0.7
131.08597	0.5
133.10039	0.8
143.08635	0.7
145.10237	0.6
159.08022	0.7
181.10231	0.6
193.10359	0.5
194.49423	0.4
298.60501	0.4
371.18002	0.5
475.24646	0.6
493.32852	100.0
494.33170	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	46.2
57.07077	65.2
67.05497	49.6
69.07066	75.9
71.08635	45.4
79.05499	36.4
81.07056	72.4
83.05016	11.4
83.08624	66.0
85.10178	23.3
91.05476	19.4
93.07041	100.0
95.08611	75.1
97.10168	43.9
105.07052	14.0
107.08585	65.8
109.10152	48.2
111.08099	10.2
111.11681	10.9
115.07541	8.4
119.08568	17.6
121.06553	9.1
121.10156	28.5
122.68667	7.5
123.11735	16.7
125.13295	13.9
125.91802	7.4
127.07557	17.4
133.10172	9.9
135.11697	35.7
137.13289	9.8
141.25529	7.8
143.07069	11.0
145.10143	14.3
147.08192	7.2
147.11794	7.2
149.13264	39.4
153.09134	10.4
159.11743	14.2
163.11148	8.4
163.14786	34.0
176.34207	8.1
177.12798	11.4
177.16322	16.9
185.04539	6.9
201.16306	9.6
219.21042	11.6
229.27043	7.7
289.28851	64.4
299.27200	13.6
307.30042	59.6
317.28436	53.3
349.30972	33.6
421.31165	8.5
439.22379	8.0
493.25690	14.5
493.39087	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.2
56.02490	2.2
57.03439	8.4
65.03944	2.3
69.03418	3.5
69.24794	13.7
71.04596	3.8
71.04993	78.8
73.02924	2.5
75.04483	4.2
82.94628	2.3
83.04977	15.3
85.02902	100.0
87.04442	2.0
95.04955	2.0
97.02887	8.4
99.04495	2.5
105.07023	26.4
106.07317	2.5
111.04435	11.2
115.61239	2.2
122.09695	12.5
125.06009	3.2
127.03901	2.8
129.05467	54.2
129.06361	3.6
147.04626	2.1
147.06500	22.1
151.03932	5.9
152.95930	2.3
160.06929	2.2
163.03909	4.4
164.09236	5.6
169.04997	11.8
206.51978	2.2
227.99843	2.0
302.07565	2.5
477.22177	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37053	0.4
52.31593	0.4
55.01883	0.6
55.05500	0.5
56.96555	1.2
67.05496	1.2
69.03433	0.9
69.06728	0.6
69.07076	5.9
69.13293	3.4
73.06563	0.8
79.05492	3.4
81.03428	0.6
81.07055	2.7
82.41802	0.4
83.04974	0.6
84.96054	0.6
91.05479	2.4
93.07011	2.3
95.04967	1.1
95.08601	1.3
96.08144	0.6
97.06527	1.5
98.22565	1.0
98.97578	6.0
99.15634	0.5
103.05466	5.7
105.07033	0.9
107.04978	2.0
107.08587	1.0
109.06503	0.9
110.06821	0.5
111.04414	0.6
114.43660	0.5
115.05482	0.9
115.07577	0.4
116.98614	2.2
117.05764	0.6
117.07013	0.6
118.06537	2.9
119.08576	0.5
120.08107	100.0
121.06534	0.8
121.08456	2.3
123.11745	0.6
125.05954	1.7
128.06268	0.5
130.06520	5.0
131.08601	0.8
132.08102	10.1
132.09088	0.6
133.10138	0.7
137.05971	3.3
138.06244	1.0
142.06529	2.5
142.07516	0.4
142.08653	0.7
143.07056	3.5
144.08064	1.4
145.06522	0.9
146.06004	7.8
146.07175	0.6
147.11740	0.8
151.07518	1.6
155.08554	0.8
158.99655	1.6
159.09181	47.4
160.07552	0.8
160.09526	1.2
161.06001	0.6
161.08147	0.9
162.06339	0.5
166.08615	0.9
169.07664	1.1
170.05998	5.0
173.05969	0.7
173.53885	0.5
175.07538	0.6
176.07936	0.6
177.00687	2.6
182.08484	1.6
185.07126	1.2
187.08725	2.5
187.11073	0.4
188.07069	9.5
189.09186	0.8
198.12775	0.5
200.09204	0.6
205.09828	3.1
219.01857	1.5
225.71617	0.5
237.02884	1.1
237.13940	1.7
238.12331	0.5
244.13333	9.7
262.14398	15.2
263.14648	1.1
265.13397	7.3
283.14389	10.5
283.17401	0.7
290.13919	3.9
301.15466	17.2
302.15741	1.0
311.13885	5.1
329.14944	5.0
333.13663	0.8
402.21835	1.4
430.21164	1.1
435.17224	2.0
448.22391	8.6
449.23233	0.7
453.17929	2.2
476.21622	1.6
495.19083	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28100	1.3
52.44997	1.1
57.03437	1.2
71.04982	4.7
71.30901	2.5
73.02901	3.5
85.02909	7.2
91.05485	3.6
94.04161	2.6
105.07037	1.8
107.04958	1.6
109.06524	1.3
115.05456	3.4
117.05476	2.0
117.07040	2.7
119.04977	2.7
122.03627	6.1
128.06229	2.5
129.05429	1.6
129.07019	1.8
131.04903	3.4
135.08043	1.3
135.32074	1.3
137.05978	100.0
138.06285	3.7
143.04933	4.2
143.08559	2.7
145.06532	2.2
146.55545	1.3
147.04449	1.8
151.03955	1.9
151.07542	21.9
153.07001	1.4
155.08606	2.7
157.06477	2.3
160.05197	3.3
161.06013	5.0
163.07533	4.9
165.05519	1.9
165.06982	2.2
165.09180	2.0
171.08054	4.6
175.07547	30.8
176.07785	1.6
177.05498	8.9
177.09120	7.7
179.07074	2.4
183.08057	4.3
187.07549	4.8
189.09117	5.5
191.07027	3.9
195.10133	14.0
196.10390	1.3
199.07504	3.2
201.09122	1.9
203.07045	3.2
203.10675	5.8
210.71658	1.3
215.07011	2.1
215.10687	1.7
217.08611	3.5
219.10097	5.9
221.11671	1.3
221.87602	1.3
225.09312	1.8
231.10077	1.5
233.11736	2.5
245.09494	2.0
248.08299	1.7
261.11224	2.9
262.09827	1.6
277.08411	1.9
279.10107	1.9
285.11588	1.5
287.12766	1.5
289.08740	1.6
289.12204	1.9
290.09323	1.9
291.06812	1.3
291.10013	2.7
297.11209	2.7
303.10086	2.4
305.11453	1.9
307.09464	1.5
309.11142	2.5
311.12747	3.5
313.14526	1.3
315.04846	2.2
316.05347	7.2
317.11679	4.1
321.11160	4.8
323.12708	3.3
328.13083	1.8
331.08051	8.3
331.15402	2.8
332.08481	20.0
335.12851	4.6
337.14337	3.3
343.15451	3.3
349.14417	3.5
355.15405	5.2
357.16980	2.3
367.15414	18.5
374.86359	1.6
385.16306	8.2
397.16495	1.7
423.17938	4.1
441.18558	2.1
485.18695	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70527	1.5
53.03943	3.6
55.05514	3.9
57.03439	13.4
59.04993	2.3
67.05503	5.5
69.03426	7.7
69.07086	4.6
69.08710	14.7
71.01350	2.8
71.04993	87.3
73.02937	1.9
73.20805	1.7
75.04491	4.1
75.12390	1.9
79.05476	7.8
81.07056	38.6
83.04990	17.3
84.42381	1.4
85.02907	100.0
87.04463	1.7
91.05466	9.9
93.07056	6.3
95.04980	11.5
95.08609	3.6
96.37597	1.8
97.02901	9.4
97.06563	3.0
99.04485	4.4
103.05462	2.4
105.07018	8.5
107.04947	2.2
107.08656	3.7
109.06525	16.3
109.10142	3.6
111.04388	8.0
113.06086	1.8
117.07044	2.3
118.04141	2.3
119.08603	5.8
119.65694	1.8
121.06515	6.1
121.10112	2.6
123.08091	6.7
123.11711	31.1
123.12564	2.7
125.02320	1.6
127.03912	3.0
129.05484	46.0
129.06970	3.9
131.04953	1.9
131.08600	5.2
133.06520	4.6
133.10147	3.1
135.08063	2.9
137.05972	37.8
141.06999	3.4
143.08604	3.4
145.04984	3.5
145.06506	4.3
146.08122	3.2
147.04552	2.0
147.06541	19.9
147.07932	3.2
147.11717	2.9
151.07536	4.4
151.11163	17.3
155.08571	3.5
157.06412	2.4
157.10095	2.9
159.08049	4.0
161.05969	2.8
161.09700	3.2
164.09195	3.2
165.06950	2.8
165.09186	2.7
167.07100	3.6
167.08611	5.0
169.06416	3.7
169.10170	3.4
169.12248	7.4
171.08043	4.4
173.09639	3.7
175.07532	5.7
175.11234	3.4
177.12840	1.7
178.07736	2.4
179.08585	2.0
181.06549	2.5
181.10175	2.4
183.08163	3.9
185.06184	2.6
185.09644	4.1
187.07593	2.7
187.11121	2.5
193.08595	12.9
193.10112	2.7
193.12151	2.0
195.08095	4.1
197.09688	2.1
199.07585	3.6
203.08665	2.3
203.10660	2.3
205.10182	2.2
205.12181	2.6
207.11684	1.9
209.09688	4.2
211.07579	3.5
211.11325	2.2
213.09116	6.7
216.09293	1.8
219.08142	2.3
220.08804	2.4
221.09625	3.2
223.11244	3.8
225.09094	3.2
234.10184	1.8
235.07590	2.9
235.11197	2.1
237.09035	4.5
243.13889	2.2
249.08983	2.3
249.12843	2.7
251.10855	3.1
253.12497	2.3
253.15572	1.7
254.42487	1.7
258.10443	2.3
259.11316	1.9
259.88351	1.7
261.09091	3.2
261.15042	2.6
263.10657	3.7
265.12372	2.9
269.01099	1.7
273.12778	2.2
275.10468	2.2
276.11539	2.2
279.10202	4.2
281.12054	1.7
291.13687	4.3
295.13364	2.2
297.11200	3.1
297.16965	2.8
303.21317	1.7
309.11426	1.6
309.14810	3.2
313.10590	1.8
319.13196	3.0
321.14789	2.3
333.14951	1.8
337.14197	10.3
353.17563	3.2
361.14374	3.0
367.15414	4.1
369.16791	1.8
373.18057	2.1
379.15298	4.4
389.17300	3.4
397.16302	11.2
399.16037	2.6
407.18500	2.2
417.17032	10.4
426.20856	1.8
431.18494	3.8
433.20428	2.3
435.18030	34.8
449.19339	2.2
451.20792	1.9
453.19363	2.0
459.17798	4.5
477.19043	11.4
495.20016	21.7
513.21216	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51362	1.2
53.03944	1.5
55.01876	1.8
55.05526	2.7
57.03436	8.3
67.05502	1.8
69.03439	3.6
69.55573	4.9
69.55976	2.4
71.04996	75.9
72.05347	1.1
73.02918	1.5
75.04468	4.2
79.05489	1.5
81.03382	1.4
81.07037	4.6
83.04981	9.5
85.02908	100.0
87.04465	2.5
91.05484	2.3
93.07035	3.8
95.04975	1.9
95.08604	6.5
97.02884	3.0
105.07014	1.7
111.04456	4.8
117.77101	1.2
118.98016	1.1
123.08035	1.3
123.11685	2.3
127.03934	2.2
129.05489	44.3
133.05116	1.3
133.10089	1.3
137.05980	5.2
143.08594	2.3
143.44974	1.2
145.04958	3.1
146.08044	1.3
147.06546	18.2
151.03856	2.2
151.07585	3.8
151.11192	2.7
163.07532	1.4
164.09192	5.9
169.12233	6.2
175.07631	1.2
179.08466	1.9
180.08702	1.5
186.10542	1.7
191.06927	1.8
209.09911	1.3
236.33902	1.1
258.72342	1.5
276.59186	1.1
494.18701	4.4
495.20673	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33647	3.5
51.66127	3.0
53.03945	5.0
55.01872	4.2
55.05273	3.8
55.05518	53.8
67.05507	11.9
69.03432	8.8
69.07050	6.4
69.07343	25.5
75.85757	2.9
79.05476	14.2
81.07053	10.8
83.04987	68.9
91.05495	21.2
93.07052	16.7
95.04961	6.8
95.08607	18.2
97.06538	4.1
98.23359	6.6
105.03371	6.3
105.07024	32.2
107.04965	6.6
107.08589	13.5
109.06504	6.0
109.10145	4.7
111.04430	7.7
115.05487	6.7
117.07024	11.3
117.93224	2.8
119.08598	28.2
121.06499	10.5
121.10136	7.2
123.08126	6.0
128.06235	8.7
129.06990	23.8
131.08556	14.3
133.06522	12.9
133.10135	13.0
135.08087	7.4
141.06999	7.2
142.07790	6.7
143.08600	14.9
145.05287	2.9
145.06485	9.6
145.10141	21.2
147.07085	3.3
147.08017	18.3
147.11690	7.4
149.09639	5.2
150.12813	3.1
154.07800	4.6
155.08556	9.7
156.09337	5.4
157.06445	3.2
157.10120	20.8
159.08075	9.5
159.11723	8.3
161.05963	8.3
161.09575	7.2
163.07568	2.7
165.06947	6.5
166.07591	3.3
167.08644	6.5
168.09322	4.6
169.06459	4.3
169.10143	20.0
171.08061	13.0
171.11707	12.8
173.09639	12.8
173.13281	6.5
175.07648	3.2
175.11177	26.5
179.08591	8.5
181.10103	6.3
183.08083	7.1
183.11700	11.6
185.09692	14.0
185.13225	3.9
187.11215	11.5
189.09038	4.2
189.12735	19.2
192.09341	6.0
193.10143	8.7
194.10851	5.4
195.08093	6.0
195.11659	13.4
197.09671	9.7
197.13295	8.9
199.11180	19.2
201.12723	6.4
203.08708	3.7
203.10649	4.2
205.10001	3.5
206.10840	5.1
207.11691	32.4
208.12311	4.8
209.09569	5.4
209.13338	7.0
210.10419	4.2
211.11198	9.5
213.12811	5.8
215.10704	3.5
216.09219	3.8
217.12216	20.1
219.11737	6.4
221.13289	9.7
222.10384	4.0
223.11226	13.1
223.14725	4.2
225.12747	34.7
230.10786	3.7
231.13918	3.8
233.09622	5.4
233.13231	8.4
235.11241	6.1
235.14874	3.3
237.12753	26.9
239.10674	4.0
239.14378	13.2
241.12158	4.1
243.13992	4.8
245.13084	4.1
247.14850	4.4
249.12741	7.9
250.13477	3.8
251.14204	4.8
253.12308	6.9
255.13892	5.5
257.13394	4.4
261.12714	4.2
262.13745	4.1
263.14267	6.4
267.13858	8.4
269.04602	4.8
273.16388	3.4
301.15936	3.4
312.06412	5.7
317.15390	4.9
365.10251	4.9
367.11844	7.5
371.20135	4.2
395.11133	9.7
395.23486	6.1
399.23358	5.9
405.21866	4.8
413.24734	11.7
417.24304	8.9
423.23190	20.1
431.25760	32.2
435.25314	3.6
441.24203	40.8
442.24518	4.4
449.26663	8.4
459.25287	100.0
460.25641	6.6
476.25418	5.5
477.26151	22.4
494.25925	6.9
495.27426	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33647	3.5
51.66127	3.0
53.03945	5.0
55.01872	4.2
55.05273	3.8
55.05518	53.8
67.05507	11.9
69.03432	8.8
69.07050	6.4
69.07343	25.5
75.85757	2.9
79.05476	14.2
81.07053	10.8
83.04987	68.9
91.05495	21.2
93.07052	16.7
95.04961	6.8
95.08607	18.2
97.06538	4.1
98.23359	6.6
105.03371	6.3
105.07024	32.2
107.04965	6.6
107.08589	13.5
109.06504	6.0
109.10145	4.7
111.04430	7.7
115.05487	6.7
117.07024	11.3
117.93224	2.8
119.08598	28.2
121.06499	10.5
121.10136	7.2
123.08126	6.0
128.06235	8.7
129.06990	23.8
131.08556	14.3
133.06522	12.9
133.10135	13.0
135.08087	7.4
141.06999	7.2
142.07790	6.7
143.08600	14.9
145.05287	2.9
145.06485	9.6
145.10141	21.2
147.07085	3.3
147.08017	18.3
147.11690	7.4
149.09639	5.2
150.12813	3.1
154.07800	4.6
155.08556	9.7
156.09337	5.4
157.06445	3.2
157.10120	20.8
159.08075	9.5
159.11723	8.3
161.05963	8.3
161.09575	7.2
163.07568	2.7
165.06947	6.5
166.07591	3.3
167.08644	6.5
168.09322	4.6
169.06459	4.3
169.10143	20.0
171.08061	13.0
171.11707	12.8
173.09639	12.8
173.13281	6.5
175.07648	3.2
175.11177	26.5
179.08591	8.5
181.10103	6.3
183.08083	7.1
183.11700	11.6
185.09692	14.0
185.13225	3.9
187.11215	11.5
189.09038	4.2
189.12735	19.2
192.09341	6.0
193.10143	8.7
194.10851	5.4
195.08093	6.0
195.11659	13.4
197.09671	9.7
197.13295	8.9
199.11180	19.2
201.12723	6.4
203.08708	3.7
203.10649	4.2
205.10001	3.5
206.10840	5.1
207.11691	32.4
208.12311	4.8
209.09569	5.4
209.13338	7.0
210.10419	4.2
211.11198	9.5
213.12811	5.8
215.10704	3.5
216.09219	3.8
217.12216	20.1
219.11737	6.4
221.13289	9.7
222.10384	4.0
223.11226	13.1
223.14725	4.2
225.12747	34.7
230.10786	3.7
231.13918	3.8
233.09622	5.4
233.13231	8.4
235.11241	6.1
235.14874	3.3
237.12753	26.9
239.10674	4.0
239.14378	13.2
241.12158	4.1
243.13992	4.8
245.13084	4.1
247.14850	4.4
249.12741	7.9
250.13477	3.8
251.14204	4.8
253.12308	6.9
255.13892	5.5
257.13394	4.4
261.12714	4.2
262.13745	4.1
263.14267	6.4
267.13858	8.4
269.04602	4.8
273.16388	3.4
301.15936	3.4
312.06412	5.7
317.15390	4.9
365.10251	4.9
367.11844	7.5
371.20135	4.2
395.11133	9.7
395.23486	6.1
399.23358	5.9
405.21866	4.8
413.24734	11.7
417.24304	8.9
423.23190	20.1
431.25760	32.2
435.25314	3.6
441.24203	40.8
442.24518	4.4
449.26663	8.4
459.25287	100.0
460.25641	6.6
476.25418	5.5
477.26151	22.4
494.25925	6.9
495.27426	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	11.0
57.84550	3.7
64.34325	4.1
67.05505	11.3
69.07055	5.7
71.30273	5.1
71.30605	4.7
79.05498	7.1
81.07069	11.2
83.04981	14.9
89.49311	4.5
91.05483	12.5
93.07046	12.8
95.04953	4.1
95.08604	25.8
105.07039	16.0
107.08618	10.8
109.10143	7.3
117.07001	5.1
118.54843	4.0
119.08577	11.2
121.06492	5.1
121.10117	5.1
131.08600	9.1
133.10175	5.0
142.07785	5.6
143.08554	12.6
145.10068	5.0
155.08603	7.8
157.10117	9.6
161.09596	5.5
165.07097	5.4
167.08559	7.8
169.10168	11.0
171.11722	5.8
179.08559	8.4
181.10144	11.7
183.11674	6.7
185.09647	11.3
193.10194	12.0
195.11761	11.7
206.10953	9.4
207.11641	13.4
209.13161	8.4
211.11076	4.3
219.11641	7.3
221.09456	4.1
221.13268	13.7
222.10425	4.5
225.12727	6.9
227.14136	4.7
231.11586	8.1
233.13203	7.2
237.12822	13.5
249.16469	5.7
259.22873	4.5
277.16031	4.3
279.17535	4.7
291.17575	5.6
293.18954	13.9
337.17999	4.0
415.26306	18.4
431.25729	28.2
433.27420	76.1
434.27454	9.2
441.24170	11.9
459.25189	40.8
477.26416	100.0
478.26810	12.3
495.27252	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	17.6
55.01865	16.0
55.05513	57.1
55.36931	4.8
57.03435	23.6
57.07082	7.4
67.05502	70.4
68.05849	8.2
69.03426	17.2
69.07069	19.2
69.38861	37.0
71.04994	9.6
73.02902	8.3
73.81869	6.7
79.05496	67.6
81.03421	100.0
81.07051	81.8
83.04989	71.4
83.08620	39.0
85.02918	36.3
85.06522	11.2
91.05488	66.9
92.05780	6.1
93.07046	69.4
95.04975	58.4
95.08606	57.1
97.02898	15.1
97.06544	14.2
97.10171	19.3
99.04486	7.7
103.05530	6.3
105.07045	65.7
107.04970	27.5
107.08599	45.4
108.08994	6.0
109.02851	12.4
109.06525	26.2
109.10165	24.6
111.04427	19.3
111.08077	28.2
115.05490	8.1
117.07043	18.9
119.04935	11.0
119.08608	56.0
121.06518	21.0
121.10149	25.8
122.10502	6.9
123.08055	14.8
123.11718	13.1
125.06023	5.9
125.09621	16.6
127.03934	6.7
128.06264	10.7
129.07034	32.0
131.08566	42.6
133.04926	6.7
133.06514	14.9
133.10132	30.4
134.10443	9.2
135.08052	12.7
135.11658	9.9
137.05995	12.7
137.09651	7.5
139.07495	9.5
141.06995	12.0
142.07756	12.8
143.08580	34.5
145.06520	18.6
145.10112	27.8
147.08060	22.3
147.11732	31.2
149.06009	6.4
149.09624	18.1
151.07529	17.5
153.05464	6.0
155.08585	21.9
156.08972	7.5
157.06544	13.1
157.10172	36.4
158.10580	8.9
159.08073	14.7
159.11719	14.0
161.09610	15.2
163.11176	8.4
165.07060	6.0
165.16356	6.1
167.08516	8.8
168.09363	8.3
169.10155	16.9
170.10454	5.8
171.08051	10.0
171.11725	16.5
173.09593	13.5
173.13303	10.6
175.07539	13.3
175.11151	22.9
179.08569	7.6
181.10027	9.8
182.10622	7.5
183.08070	7.8
183.11626	9.2
184.12007	7.4
185.09625	13.3
187.11145	12.2
187.14893	6.4
189.11218	6.5
193.10304	14.0
193.12268	63.6
194.10722	7.7
194.12602	7.2
195.08086	10.6
195.11664	9.4
196.54140	6.2
197.09647	11.1
197.13235	17.3
201.12769	6.4
203.10735	6.8
206.10843	9.6
207.11636	10.0
208.12285	8.5
209.09622	7.0
209.13214	11.0
210.10257	8.5
211.11313	10.4
211.13127	50.8
213.12735	6.9
215.10638	6.4
221.09566	7.0
221.13260	7.5
223.11180	9.8
225.12700	14.2
227.12770	8.7
233.13098	6.7
235.14891	7.7
237.12805	13.4
238.13048	6.3
265.15649	7.8
267.13666	5.8
267.15985	66.3
268.16513	8.1
283.14822	6.8
289.15753	9.0
323.08853	6.9
341.21069	18.5
367.22711	18.9
385.23578	11.7
403.25043	7.2
405.24161	10.6
423.25073	13.1
431.26169	8.3
433.26016	31.4
440.22922	6.9
441.25906	7.6
458.24008	17.6
459.21765	9.3
459.27359	72.1
460.27771	9.1
476.25266	40.8
477.28162	24.2
494.26321	51.5
495.29199	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72242	2.4
51.76432	2.6
55.05508	6.7
58.74915	2.5
60.73457	2.4
67.05489	12.7
71.01127	2.7
71.30397	4.6
79.05504	4.0
81.07055	6.4
83.04954	14.4
91.05473	9.8
93.07047	14.0
95.04997	3.3
95.08621	16.2
105.07020	9.1
107.08596	8.8
109.06527	3.2
109.10156	3.9
111.04456	7.8
111.08076	7.6
117.06993	4.0
119.08588	16.0
121.10170	6.5
123.08099	3.5
128.06187	2.7
129.07002	5.7
131.08563	9.0
133.10129	11.1
135.08029	3.0
139.07547	11.3
141.06937	3.0
142.07686	3.0
143.08585	8.4
145.06552	2.9
145.10126	11.0
147.08020	4.0
147.11656	8.2
155.08562	14.7
156.09297	3.3
157.10127	13.6
159.11755	14.1
161.09586	4.0
161.13185	3.1
163.07544	7.4
164.45546	2.6
169.10120	8.1
171.11661	4.9
173.09486	3.2
173.13246	3.3
175.11116	3.9
179.08543	4.5
181.10100	10.9
183.11707	10.2
185.13284	5.2
193.10121	5.9
195.11687	6.2
197.09528	3.2
197.13351	6.4
201.12756	14.0
204.13792	2.9
205.12277	3.0
207.11713	12.2
209.13251	8.4
219.11742	5.3
219.13768	12.4
220.12494	3.9
221.13197	8.8
223.11252	2.9
223.14856	7.1
225.12645	2.9
231.11708	4.1
233.13245	6.8
234.14143	4.4
235.14761	8.4
237.16330	3.6
239.14392	4.2
245.15451	5.5
246.14153	3.5
247.14786	7.3
249.12698	5.2
249.16301	2.9
251.14417	5.9
253.15823	4.1
257.15323	4.7
259.14935	3.1
261.16406	3.7
263.14285	7.6
264.74689	3.1
265.15982	4.1
269.15381	5.1
273.16403	2.9
277.16049	5.6
291.17404	4.4
303.17368	3.9
305.19016	8.2
307.17242	3.2
307.79510	3.5
321.18414	4.5
323.20059	5.1
331.20572	7.0
333.22037	5.3
335.20050	3.4
345.21832	2.9
349.21564	3.8
364.23981	10.1
385.21335	4.9
399.26761	3.4
403.22751	4.6
409.25354	4.2
417.27850	7.3
422.24893	3.0
427.26114	15.5
445.27362	27.2
450.49673	3.0
463.28424	100.0
464.28510	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16354	0.6
51.48963	0.7
53.03941	1.8
55.01855	1.7
55.05515	5.4
57.03422	0.7
57.07071	0.7
59.05011	0.6
67.05177	1.0
67.05505	12.4
68.05833	1.7
69.03440	3.3
69.07063	2.9
69.39621	3.8
71.04978	1.4
73.23545	0.6
79.05489	7.4
80.05821	1.0
81.03423	6.8
81.07056	13.5
82.03721	0.8
82.07405	0.8
83.04990	4.3
83.08619	4.3
85.02908	3.2
85.06530	1.0
89.24626	0.6
91.05479	8.3
93.07041	9.8
94.07356	1.2
95.04980	4.7
95.08603	15.6
96.08914	1.0
97.02905	1.5
97.06519	2.4
97.10166	1.4
98.23325	1.4
99.04477	1.1
105.07026	7.6
106.07349	0.7
107.04937	1.3
107.08599	4.2
109.06516	2.7
109.10151	8.9
111.04424	2.8
111.08067	1.8
117.07016	2.6
119.08568	5.5
121.06500	2.4
121.10164	4.3
123.04395	0.7
123.08070	11.7
123.11708	7.1
124.08363	1.0
125.09616	1.9
128.06198	1.3
129.06996	2.4
131.08546	2.4
132.08922	0.9
133.06517	1.3
133.10089	4.6
135.08070	2.0
135.11729	1.8
137.06003	4.6
137.09616	2.6
139.07516	1.4
142.07837	0.9
143.08537	2.1
145.10101	3.3
146.10533	0.7
147.08069	1.4
147.11682	2.4
149.06007	1.2
149.09634	2.0
151.07539	100.0
152.07918	2.6
153.05450	0.9
154.07774	0.8
155.08577	1.1
155.10669	1.1
156.09047	0.6
157.10112	2.7
158.10384	0.7
159.08031	0.9
159.11668	1.1
161.09561	3.5
161.35147	0.6
163.11209	2.3
164.11508	0.8
165.09102	5.8
167.07007	1.9
169.10129	2.0
173.09634	1.9
173.11736	1.2
173.13164	0.7
174.09845	0.7
175.07619	0.8
175.11191	4.1
176.11450	1.0
177.05556	0.6
177.09105	2.1
180.10252	0.9
181.04941	0.9
183.06583	0.8
187.07381	0.7
187.11136	1.2
189.09204	1.6
189.12813	1.5
191.10635	8.3
192.11093	1.1
193.08456	0.8
193.10425	0.8
193.12248	4.8
193.13933	0.9
194.12564	1.0
195.06543	0.9
195.08116	0.9
197.13002	0.7
199.11119	1.7
201.11162	1.2
203.10666	0.9
205.12271	3.7
206.74870	0.8
207.11769	1.3
209.11551	0.8
211.13254	4.0
217.12233	0.8
221.13266	1.2
225.12871	0.9
231.13872	0.7
243.13692	1.0
243.17535	1.0
261.12610	0.9
267.15866	0.8
269.15146	0.8
287.19952	0.8
293.24756	0.8
303.19534	4.0
329.14023	1.5
339.25250	1.3
385.23734	0.9
395.29477	3.0
403.24704	1.6
413.30392	6.3
423.29156	1.0
430.24475	1.8
431.26276	0.9
431.31512	4.8
432.25977	1.0
441.30005	1.2
458.24063	2.8
459.31226	3.8
476.25308	3.4
477.19067	0.8
477.25977	1.2
477.32007	2.2
494.27600	4.0
495.26129	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1133
Annotation	Myricetin 5-methyl ether 3-glucoside
Peak:m/z	Relative Intensity
51.96611	0.5
53.03950	0.8
53.81128	0.6
55.01857	1.1
57.03426	1.0
61.02923	1.6
69.03435	3.5
70.49911	1.6
71.04962	0.7
73.02893	0.7
74.14855	0.5
79.05495	0.8
81.03407	2.7
85.02911	7.5
91.05486	1.1
93.07066	0.7
97.02892	4.9
99.04432	0.7
99.43839	0.6
105.07018	1.0
107.08567	0.7
108.02039	0.6
109.02886	3.0
116.61377	0.6
121.10126	1.0
127.03914	2.1
127.95878	0.5
131.08536	0.6
137.02400	0.9
145.04955	1.8
147.11670	1.6
153.01822	6.7
167.10661	1.1
203.03281	0.7
206.05733	1.5
208.03650	1.2
217.04910	1.0
219.02870	9.7
233.04413	4.1
234.05257	2.2
238.55565	0.6
243.02827	1.0
244.03647	2.9
245.04434	2.2
247.02347	0.7
261.04044	1.2
262.04501	0.6
273.03870	1.3
288.32776	0.5
289.03546	3.1
290.04300	4.1
300.02698	0.8
301.03345	3.9
318.03696	43.4
319.04086	2.1
333.06027	100.0
334.06339	5.1
343.04639	0.7
357.06210	1.3
375.07031	1.4
399.07272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1132
Annotation	Myricetin 5-methyl ether 3-glucoside
Peak:m/z	Relative Intensity
53.03948	1.0
55.01862	1.0
61.02920	2.2
61.94889	0.7
67.05492	1.1
69.03446	3.4
71.04964	0.6
71.29234	1.0
73.02909	1.2
79.58585	0.7
81.03446	1.5
81.07045	1.2
84.58080	0.6
85.02905	9.0
86.03832	0.7
91.03950	0.9
91.05473	1.3
93.07030	1.2
95.04957	0.7
95.08617	1.0
97.02888	3.4
98.52892	0.6
99.04446	1.3
101.22346	0.6
107.08595	1.0
108.02089	0.8
109.02870	3.2
109.10192	0.6
119.08546	0.8
121.10137	1.0
127.03886	1.8
137.05942	1.6
145.05008	1.6
151.07492	1.0
153.01840	6.2
153.12770	0.8
154.08676	0.7
159.08125	0.7
161.09581	0.8
163.11241	0.7
167.07053	0.9
179.03336	0.7
185.09566	0.7
205.04893	0.8
206.05765	2.0
208.03796	1.1
217.05016	1.0
219.02875	10.4
233.04477	3.8
234.05194	1.2
243.02956	0.8
244.03697	2.3
245.04355	1.4
247.02357	1.3
261.04031	1.3
262.04523	0.8
273.03833	1.2
279.50250	0.7
289.03384	3.1
290.04163	3.8
298.60474	0.7
300.02490	1.1
301.03494	3.8
318.03693	40.9
319.04053	1.8
333.06027	100.0
334.06387	4.8
446.87366	0.7
495.25760	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96611	0.5
53.03950	0.8
53.81128	0.6
55.01857	1.1
57.03426	1.0
61.02923	1.6
69.03435	3.5
70.49911	1.6
71.04962	0.7
73.02893	0.7
74.14855	0.5
79.05495	0.8
81.03407	2.7
85.02911	7.5
91.05486	1.1
93.07066	0.7
97.02892	4.9
99.04432	0.7
99.43839	0.6
105.07018	1.0
107.08567	0.7
108.02039	0.6
109.02886	3.0
116.61377	0.6
121.10126	1.0
127.03914	2.1
127.95878	0.5
131.08536	0.6
137.02400	0.9
145.04955	1.8
147.11670	1.6
153.01822	6.7
167.10661	1.1
203.03281	0.7
206.05733	1.5
208.03650	1.2
217.04910	1.0
219.02870	9.7
233.04413	4.1
234.05257	2.2
238.55565	0.6
243.02827	1.0
244.03647	2.9
245.04434	2.2
247.02347	0.7
261.04044	1.2
262.04501	0.6
273.03870	1.3
288.32776	0.5
289.03546	3.1
290.04300	4.1
300.02698	0.8
301.03345	3.9
318.03696	43.4
319.04086	2.1
333.06027	100.0
334.06339	5.1
343.04639	0.7
357.06210	1.3
375.07031	1.4
399.07272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
55.01877	3.9
55.05508	2.4
61.70373	0.7
64.88560	0.7
65.03934	4.6
67.05511	3.7
69.03429	4.9
69.20232	4.0
69.20650	1.5
74.75510	0.7
79.05499	3.0
81.03418	1.6
83.01358	1.6
83.04990	13.0
85.02907	6.1
91.05490	15.5
92.13593	0.7
93.03405	4.8
95.01347	3.4
95.04973	21.5
97.02882	4.3
98.22635	1.7
98.97599	2.2
103.05470	4.5
105.04546	1.1
105.07031	15.9
107.04960	22.1
107.05679	1.2
108.05302	1.0
109.02873	1.9
111.04442	12.2
115.03999	1.2
115.05452	2.7
117.03385	1.0
117.07034	3.4
119.04951	28.5
119.08586	1.6
121.02879	15.5
121.06504	1.5
123.04442	6.5
125.02368	1.1
129.05469	4.7
129.06996	1.0
131.04936	18.9
132.05734	2.2
133.06497	74.9
134.06821	1.7
135.04414	2.5
137.02412	0.9
137.06018	1.3
139.03909	13.5
141.07014	1.4
144.05737	1.6
145.02829	1.2
145.06491	12.8
147.04416	100.0
147.08093	3.6
148.04782	2.2
149.02390	2.0
149.05978	11.4
152.06157	1.8
153.05679	0.9
153.07025	2.9
155.06067	2.1
155.08577	2.2
157.04987	4.7
157.06503	6.7
158.03636	2.1
158.07162	1.1
159.04422	66.5
160.04692	1.2
161.02997	0.9
161.05989	16.3
163.03891	5.0
163.07486	1.0
165.05504	19.1
165.07025	11.2
167.08601	4.4
169.06508	3.0
171.08072	3.6
173.05974	7.4
175.03970	0.9
175.06099	1.5
175.07533	1.2
177.05505	18.5
177.07010	3.0
178.05820	0.9
181.05061	0.8
181.06520	2.5
183.08075	11.7
185.09698	2.3
187.07573	1.5
189.05475	27.2
191.03412	0.9
191.07045	1.6
193.06506	2.7
194.07265	1.3
195.08020	9.0
195.88522	0.7
197.05984	5.4
199.03926	1.3
199.07689	1.6
201.05472	20.7
203.07115	4.2
211.07573	14.8
212.07809	0.9
213.00899	0.9
213.05569	1.2
213.09138	3.6
219.01947	1.5
219.06538	19.5
221.06035	3.3
223.07565	4.3
225.05522	3.3
229.08635	1.7
239.07040	17.9
241.08649	5.2
243.06673	1.5
245.05290	0.9
249.05490	7.7
257.05359	1.1
257.08066	8.1
267.06543	19.1
268.06854	1.4
275.09241	2.1
275.89957	0.7
285.07556	16.6
285.10425	1.3
286.07892	1.2
303.08630	68.8
304.08942	3.9
321.09711	24.6
322.10202	1.1
351.03979	1.0
453.07034	1.8
477.13858	2.4
495.15509	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
55.05514	92.6
56.05846	1.8
59.64209	1.0
83.04983	100.0
83.93376	1.2
84.05318	1.9
84.17274	1.0
86.74588	1.1
103.22361	1.1
109.16451	1.0
125.06062	1.0
153.05447	1.6
167.07002	1.3
178.07721	1.6
189.07095	2.3
191.08601	1.4
195.06561	6.9
198.03165	1.5
207.07896	1.5
213.05637	1.3
223.07396	1.1
227.06935	1.6
229.04933	1.1
234.06822	1.6
235.07622	2.4
236.04813	1.5
243.06302	1.2
247.07513	2.1
249.05524	1.3
249.08932	1.4
251.06985	1.4
252.04410	1.3
259.07401	1.2
263.07147	6.0
264.07687	1.6
265.05167	1.2
266.05646	1.5
267.06519	1.6
268.03622	1.2
269.04434	12.9
273.05820	1.2
275.07043	1.6
276.07837	1.7
277.08566	3.5
278.05914	1.1
279.06586	2.5
280.03778	1.2
281.04443	2.9
282.01480	1.4
290.05707	1.9
291.06558	3.7
292.07385	4.2
293.07990	2.7
294.05096	1.8
295.05942	3.5
297.03970	4.3
303.06430	3.2
304.06976	1.5
305.04837	1.7
305.08163	3.4
306.08719	2.2
307.06305	1.4
307.09564	4.5
309.07672	2.4
309.11020	1.5
310.08209	6.5
311.05457	3.0
312.06262	10.3
313.06934	3.0
319.05960	3.9
320.06720	3.5
321.07562	5.2
322.08118	1.7
325.07050	3.2
333.07587	4.0
334.08240	3.6
335.09274	6.3
336.09790	5.0
337.07037	1.8
337.10580	1.5
339.12375	1.7
341.10220	8.1
349.06873	1.8
349.10834	2.2
352.09378	1.5
362.07733	1.7
363.08679	3.2
364.09268	3.1
365.10303	3.9
367.11938	12.9
377.10199	9.2
395.11261	17.7
426.80890	1.1
467.16574	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.0
53.21285	1.4
54.22501	1.5
54.73540	1.4
55.01863	1.4
55.05511	97.6
57.07061	2.1
59.04983	3.0
65.03931	1.8
67.05488	4.6
69.05868	12.4
69.07056	2.8
75.04460	2.3
79.05489	4.9
81.07053	6.4
83.04980	100.0
83.08586	1.4
84.05336	1.6
86.09730	1.4
87.04477	2.2
91.05471	9.4
93.07037	6.3
95.04955	4.8
95.08606	5.8
105.03382	29.1
105.07021	3.5
107.05003	1.4
107.08597	3.2
109.06516	1.6
109.10162	3.3
111.04433	1.8
111.08127	1.3
113.23424	1.5
115.03918	3.5
115.05455	1.9
117.07046	2.6
119.04917	2.6
119.08576	3.8
121.10134	1.7
123.11677	1.7
129.06990	1.6
131.04886	1.7
131.08574	2.4
132.51590	1.3
133.02827	2.9
133.10092	2.3
135.08093	2.5
135.11668	1.7
137.05997	2.1
145.06467	2.3
145.10152	2.1
147.04399	3.2
147.08014	1.4
147.11687	2.4
149.13249	1.6
153.05453	1.6
159.08061	2.3
159.11693	3.1
165.07018	2.2
167.08475	2.1
171.11694	1.9
173.05855	1.5
173.09503	1.4
173.13248	1.9
175.03896	17.4
175.07510	1.8
177.09074	1.4
178.07793	2.0
181.06453	1.5
184.07336	3.3
189.01834	12.9
189.05490	3.2
189.06958	2.3
190.07803	2.5
191.03404	1.8
191.08607	2.1
193.06534	1.5
197.05998	2.4
202.07773	1.8
205.08493	10.8
206.07234	2.6
207.08243	2.0
207.10152	12.2
211.03914	4.8
212.04723	2.5
218.07295	1.8
221.05890	4.2
234.06833	3.5
235.07541	5.7
236.08095	1.9
241.05072	1.7
245.05989	1.6
247.07565	3.4
249.05501	4.8
251.03482	1.6
251.06888	3.3
253.04727	2.6
253.08675	2.0
255.06601	1.6
261.05478	2.6
262.06192	2.4
263.07004	9.5
264.07739	3.9
265.04938	3.3
265.08426	2.0
266.05817	2.3
267.02817	5.2
269.04483	2.5
269.07178	1.7
273.05515	2.3
274.06323	3.7
275.07019	4.3
276.07770	1.9
277.05002	2.4
277.08533	4.6
279.06488	6.0
280.03543	2.0
281.04349	2.7
281.07904	2.9
289.05026	2.2
289.08472	1.7
290.05698	3.5
291.06430	8.7
292.07257	8.1
293.04877	2.3
293.08093	6.5
294.05157	2.9
294.08524	1.6
295.02338	3.7
295.06003	6.7
297.03821	1.7
302.05698	2.6
303.06512	4.7
304.07278	2.9
305.04507	3.8
305.08115	5.7
306.05231	2.1
306.08786	1.7
307.06244	2.4
307.09579	8.9
309.07559	5.6
310.04648	5.2
311.05463	2.8
317.07947	2.5
319.05887	5.2
319.09424	1.9
320.06784	7.3
321.07501	8.5
322.08176	2.7
323.05551	3.4
325.07043	19.0
331.05878	3.2
333.07669	2.6
334.08139	2.8
335.05496	2.5
335.09103	11.8
336.09799	5.6
337.06885	4.5
337.10748	3.3
338.07834	6.3
339.08563	1.8
339.12375	2.2
341.06390	2.4
347.05576	1.6
348.06042	6.7
349.06894	4.0
349.10590	1.8
352.09311	5.6
353.10385	2.8
355.08173	11.1
362.07791	1.9
363.08643	21.5
364.09311	4.1
365.06302	2.3
365.10242	2.8
367.11725	14.6
377.10040	4.5
380.08710	2.7
395.11212	27.9
396.11481	2.1
413.12259	5.9
477.25876	3.4
495.16885	2.1
495.34894	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1836
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
62.51517	0.4
76.13539	0.4
81.07059	0.6
91.05506	0.6
111.69528	0.3
137.05984	0.6
150.95117	0.4
151.03880	0.9
151.07535	0.4
171.86748	0.4
175.03743	0.3
186.06503	0.8
187.07361	0.4
197.30228	0.3
221.67200	0.4
229.06863	0.5
229.32991	0.4
243.08571	0.4
263.07129	0.3
331.10001	2.7
349.12595	3.7
365.14648	0.4
393.29721	0.4
435.18018	0.6
495.18365	100.0
496.18604	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90004	0.8
51.40244	0.9
51.65060	0.8
53.03952	2.7
55.05515	2.4
65.03933	1.4
67.05508	5.4
69.03436	7.7
69.07072	3.4
69.17846	3.7
69.18267	2.7
69.76935	1.0
71.04995	2.2
79.05497	15.1
81.03419	2.2
81.07061	58.4
82.07359	1.0
83.04977	4.9
85.02942	1.3
91.05484	10.1
93.07048	7.1
95.04970	18.4
95.08611	6.2
97.02903	7.2
97.06536	3.2
99.04459	4.1
103.05466	1.7
105.07034	8.3
106.12757	0.9
106.71362	0.9
107.04990	3.4
107.08604	5.8
109.06529	25.6
109.07246	2.0
109.10177	1.1
111.04441	4.6
111.08074	2.0
113.02360	1.3
115.05446	6.0
116.06230	1.2
117.07031	5.0
119.04956	1.8
119.08586	5.6
121.05781	1.0
121.06492	5.3
123.04404	1.3
123.08077	5.8
125.06009	3.6
128.06223	7.3
129.07025	9.2
131.04924	3.3
131.08557	6.2
133.06544	4.9
133.10165	3.1
135.08081	4.6
137.05984	46.6
138.06303	1.0
139.07556	1.8
141.06992	7.1
142.07739	3.5
143.04939	1.1
143.08566	9.3
145.06474	21.7
145.10141	2.9
146.07298	1.6
147.04453	1.5
147.08014	8.1
149.06009	3.6
151.07526	1.6
152.06160	2.2
153.05493	12.3
153.06984	6.1
154.07762	4.4
155.08569	14.8
156.09038	1.1
157.06508	6.3
157.10150	5.6
158.07309	2.6
159.04471	2.1
159.08052	10.5
161.06020	2.9
161.09657	2.3
163.07512	2.6
165.06990	8.5
165.09006	1.1
166.07802	3.8
167.07146	2.1
167.08594	8.1
168.09341	2.5
169.06468	9.0
169.10172	4.3
170.07222	2.7
171.06604	2.2
171.08040	19.2
172.08630	1.5
173.06000	2.3
173.09647	3.9
175.07573	4.2
177.09088	1.7
178.07768	6.5
179.08554	11.9
180.09328	3.4
181.06488	5.4
181.10117	7.3
182.07326	4.2
182.10901	1.1
183.08052	18.6
183.11687	3.8
184.08868	5.3
185.06039	3.6
185.09627	10.1
186.06830	1.1
187.07545	5.6
189.06992	2.0
189.09122	1.0
190.07841	3.8
191.07063	1.1
191.08546	5.4
192.09344	4.3
193.10133	11.1
194.07327	3.7
194.10887	2.1
195.08093	15.0
195.11746	4.2
196.08817	5.4
196.12456	1.0
197.05981	1.9
197.09615	13.8
197.13283	1.4
198.06754	1.3
198.10414	1.2
199.07538	7.7
199.11266	3.0
200.08247	1.2
201.09183	3.0
202.07767	5.0
203.08569	7.1
203.10274	1.0
204.09381	6.5
205.06493	1.5
205.10153	10.6
206.07347	1.9
206.10930	4.7
207.08032	7.7
207.11723	6.2
208.08794	5.6
209.06190	0.9
209.09618	11.5
209.13211	2.4
210.10257	2.8
211.07602	7.7
211.11122	6.9
211.14894	0.9
212.08357	2.1
212.11937	1.2
213.09126	7.2
213.12737	1.2
215.08585	4.3
215.10521	1.7
216.09264	4.7
217.10194	6.9
218.07272	1.4
218.10939	3.8
219.08061	5.9
219.11635	6.4
220.08902	5.8
220.12419	1.8
221.06110	1.0
221.09622	15.2
221.13084	4.8
222.10442	5.2
223.07614	3.7
223.11162	11.0
223.14862	1.4
224.08324	1.3
224.11925	1.9
225.09088	8.5
225.12830	3.4
226.09808	2.0
227.10571	5.8
228.09358	2.6
229.08365	2.0
229.10193	4.0
230.10919	3.7
231.08061	2.6
231.11763	5.0
232.08772	6.4
232.12367	1.5
233.09618	18.8
233.13295	3.4
234.10303	6.8
235.07532	3.1
235.11179	19.6
236.08325	2.5
236.11903	3.6
237.09111	7.5
237.12686	8.7
238.09657	1.3
239.10678	6.7
239.14331	2.8
241.10315	1.2
241.12312	2.3
242.10991	2.8
243.08040	1.6
243.10020	1.9
243.12007	1.3
244.08882	1.8
244.12604	2.0
245.09644	9.9
245.13289	2.4
246.10345	6.9
247.07539	1.4
247.11229	14.8
247.14832	2.3
248.11955	4.9
249.09114	7.7
249.12799	9.5
249.16452	1.1
250.09923	2.6
250.13519	2.3
251.10655	10.7
251.14297	4.6
252.11403	1.9
253.08540	2.0
253.12340	4.2
253.16013	1.2
254.12987	1.7
255.09991	2.1
255.13908	1.5
257.09677	4.0
257.13348	3.2
258.10489	2.8
259.11243	8.6
259.14813	2.5
260.11853	5.3
261.09180	6.9
261.12729	8.9
262.09903	2.3
262.13589	2.7
263.10754	15.8
263.14163	8.1
264.11465	4.0
264.14798	2.1
265.09146	2.0
265.12286	12.2
265.15884	3.2
266.12991	1.5
267.10107	5.0
267.13873	4.1
269.11942	3.1
270.10379	1.9
271.11276	2.7
272.12018	3.4
273.09094	1.8
273.12769	7.7
274.10052	1.3
274.13446	1.4
275.10757	10.2
275.14331	13.4
276.11639	2.4
276.14911	2.7
277.12289	12.5
277.15933	3.7
278.12943	3.6
278.16177	1.0
279.10315	3.2
279.13846	5.9
281.11774	7.2
281.14996	1.6
282.12851	1.9
283.09900	1.0
283.13354	3.4
285.09427	1.6
285.12726	6.5
286.13403	2.5
287.10934	1.9
287.14346	6.4
288.11563	1.4
288.15015	1.3
289.12296	4.7
289.15854	1.5
290.12979	1.6
291.10431	1.6
291.13644	5.5
293.11774	3.7
293.15451	8.7
295.09766	4.0
295.13461	3.2
297.11481	3.3
299.14145	1.9
301.12259	4.0
301.15421	1.0
302.12936	1.5
303.10257	3.4
303.13849	9.9
304.10962	1.1
305.12024	2.2
305.15414	5.6
307.10016	1.1
307.13379	4.1
307.16745	1.7
309.11368	2.2
309.14856	3.3
311.12903	3.1
315.13916	6.5
316.14252	1.0
317.12119	1.3
317.15497	4.1
318.12695	1.2
319.09879	1.4
319.13391	3.7
320.14206	1.1
321.11200	4.0
321.14929	6.9
322.15338	1.2
323.12750	3.1
323.16537	4.2
324.13760	1.3
325.14609	1.6
327.13843	1.7
327.17419	1.1
331.13303	2.8
333.14749	6.1
335.12793	1.5
335.16467	3.3
337.14682	1.7
339.12231	4.8
341.14017	2.1
343.13232	2.6
345.14746	1.4
347.16382	1.9
349.14398	2.8
351.15863	4.4
353.13855	1.8
357.13324	26.7
358.13855	1.9
359.16403	1.8
361.14270	4.3
361.17850	2.3
363.15942	2.6
365.13702	1.2
365.17770	2.0
367.16235	1.1
369.16904	4.4
371.16531	1.5
373.13889	2.0
373.18039	5.6
375.15814	1.7
375.20044	1.2
377.17715	1.8
379.15509	3.8
383.16266	3.0
385.17944	3.3
387.15723	1.9
389.17578	2.7
390.18311	1.0
391.14743	2.3
391.19495	7.0
392.19882	2.6
397.16483	26.9
398.16992	4.0
401.17538	16.5
402.18167	3.8
403.18878	7.2
407.18491	1.7
413.17416	5.2
415.19119	5.2
417.17148	3.3
419.18573	60.6
420.19220	25.9
421.19980	7.2
431.18527	8.7
432.18665	1.1
433.20135	8.5
435.18057	2.3
437.15948	3.2
441.16922	1.9
449.19580	9.6
451.21143	3.4
459.17960	7.2
467.20944	2.5
470.10983	1.1
477.19196	14.4
477.25943	2.4
478.19501	1.9
478.25858	1.3
495.20145	100.0
496.20584	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
55.05501	3.6
57.03421	2.3
57.07088	1.0
59.04986	1.7
65.03934	2.8
67.05506	8.2
68.99779	1.8
69.03426	12.1
69.07059	3.4
71.01373	0.9
71.04993	14.0
71.31765	1.2
72.05328	2.2
77.03915	1.1
79.05492	21.5
81.03433	2.6
81.07056	83.7
82.07392	1.4
83.04986	5.5
83.08613	0.8
85.02903	15.1
85.06536	1.8
86.03237	2.9
91.05477	18.3
93.07040	9.0
95.04969	33.5
95.08605	11.5
97.02872	9.4
97.06531	8.5
99.04440	4.3
103.05450	4.2
105.03426	1.3
105.07027	10.6
107.04945	4.8
107.08608	5.5
109.02858	2.0
109.06517	46.5
109.10143	2.3
111.04427	3.4
111.08082	2.5
115.05446	4.6
116.06230	1.1
117.07039	5.2
118.63470	0.9
119.04947	3.2
119.08572	10.5
121.06509	9.4
121.10160	2.9
122.06779	1.0
123.04401	2.6
123.08058	11.3
123.11735	3.1
124.11996	0.9
125.06007	2.9
125.09612	1.5
127.03902	1.7
128.06215	6.4
129.05521	5.4
129.07010	8.5
130.05835	1.5
131.04936	3.8
131.08556	8.8
132.05780	1.2
133.06487	5.5
133.10129	2.7
135.04414	3.0
135.08044	5.4
137.05974	100.0
137.09586	2.1
138.06322	3.1
139.07571	2.6
141.07004	6.5
142.07774	4.0
143.04904	1.2
143.08546	9.1
144.05643	1.2
145.06468	9.6
145.10085	5.7
147.04428	2.8
147.06581	2.4
147.08058	9.4
149.05986	5.1
149.09628	1.7
151.07550	4.8
151.11198	1.7
152.06207	2.1
153.05495	2.0
153.07024	3.6
154.07785	2.9
155.05952	1.1
155.07242	1.6
155.08563	10.1
156.09363	1.3
157.06468	6.7
157.10097	4.9
158.07283	2.6
158.42021	0.8
159.04489	2.8
159.08035	12.7
159.11740	1.6
160.08778	1.2
161.06000	8.1
161.09608	3.6
163.04002	1.0
163.07538	4.1
165.05772	1.4
165.06972	6.1
165.09120	2.6
166.07822	3.9
167.07072	2.4
167.08575	8.4
168.09337	1.5
169.06490	5.0
169.10097	7.6
170.07176	1.3
171.04375	2.2
171.08040	11.9
171.11717	2.4
172.08795	1.7
172.36867	0.8
173.06003	3.8
173.09607	7.0
175.07555	9.9
175.11220	0.8
177.05533	1.8
177.09148	1.9
178.07782	3.6
179.08568	7.9
180.09320	2.5
181.05110	1.0
181.06447	4.6
181.10095	7.4
182.07249	3.7
183.08066	9.9
183.11703	3.8
185.06006	7.7
185.09628	8.5
186.06725	1.6
187.07533	10.5
187.11191	4.0
188.08354	1.2
189.07123	1.2
189.09163	3.7
190.07780	2.6
191.07008	2.3
191.08565	3.6
192.09314	4.4
193.08585	6.5
193.10172	7.8
194.07375	2.0
194.08978	1.2
194.10818	1.7
195.08070	12.0
195.11629	5.5
196.08894	4.2
197.05995	5.0
197.09627	7.5
198.06775	2.5
199.07542	10.4
199.11153	3.0
200.08263	2.7
200.11685	0.9
201.05466	1.5
201.09140	4.7
202.07741	2.0
203.07040	2.6
203.08586	3.3
203.10516	1.2
204.09326	3.1
205.06657	1.5
205.08501	1.3
205.10181	5.8
206.10872	3.3
207.08038	5.2
207.11761	4.5
208.08740	4.1
209.06133	1.9
209.07870	1.3
209.09642	12.7
209.13213	1.7
210.10291	2.8
211.07559	8.0
211.11174	7.7
212.08318	2.0
213.05598	1.4
213.09109	11.6
213.12836	1.5
213.14703	1.2
214.09814	1.1
215.06979	2.7
215.08702	1.9
215.10443	4.3
216.09369	2.4
217.08585	3.9
217.10205	2.9
218.07306	1.4
218.10864	1.6
219.08148	6.4
219.11655	4.4
220.08853	4.3
220.12486	2.3
221.06065	1.6
221.09659	9.8
221.13235	5.0
222.06779	1.3
222.10339	3.1
223.07664	4.5
223.11215	9.2
224.08292	1.2
224.12015	2.6
225.09081	6.4
225.12741	3.3
226.09749	1.6
227.06949	3.9
227.10605	4.0
228.09360	1.1
229.08598	3.3
229.12187	2.1
230.10883	2.7
231.08057	1.7
231.10069	2.2
231.11862	2.4
232.08810	2.2
232.12489	1.6
233.09723	10.7
233.13287	3.1
234.10345	5.8
235.07599	5.3
235.11240	9.5
235.14938	2.2
236.08305	3.8
236.11826	2.0
237.09146	10.7
237.12904	4.9
238.09897	2.8
238.13405	0.9
239.06982	2.0
239.10747	6.0
239.14229	1.5
240.07596	0.9
241.08411	4.4
241.12277	2.0
242.10910	1.1
243.10056	1.7
244.08981	1.0
245.09789	1.6
245.13313	2.5
246.10385	2.5
247.07480	2.5
247.11551	5.0
247.14980	1.0
248.08340	2.2
248.11943	3.2
249.09058	7.9
249.12952	6.4
250.09846	2.9
250.13449	1.9
251.10730	11.0
251.14275	2.7
252.11311	4.7
253.08601	2.9
253.12271	4.8
253.15749	1.9
254.09187	1.1
255.10095	5.2
255.13892	1.2
257.11792	2.5
258.10349	2.3
259.11179	4.5
260.11917	2.3
261.09088	5.0
261.12796	4.2
262.09888	6.2
262.13364	1.4
263.10742	8.1
263.14279	6.8
264.08212	0.9
264.11420	2.7
264.14780	1.0
265.08667	2.6
265.12274	7.2
265.16061	1.8
266.12982	1.9
267.10086	2.5
267.13855	4.9
269.11615	6.2
271.11334	1.6
272.12073	1.6
273.08850	1.2
273.12732	6.4
274.09796	1.2
274.13528	1.1
275.10660	4.8
275.14212	2.6
276.11441	3.2
277.08572	1.1
277.12274	7.4
277.15207	1.6
278.09262	1.0
278.12958	2.0
279.10202	10.1
279.13776	4.9
280.11017	6.2
281.08319	1.0
281.12253	5.1
281.15347	5.2
283.09787	1.8
283.13718	1.2
287.10641	2.8
287.14328	2.6
289.08975	1.6
289.12256	6.3
289.15649	1.9
290.12817	1.0
291.10202	2.2
291.13693	12.5
292.14514	3.1
293.08469	1.3
293.11728	4.4
293.15475	3.0
294.12592	3.7
295.09970	1.7
295.13373	5.0
295.16583	1.0
296.14316	1.0
297.11288	7.2
297.14777	1.8
299.13052	1.2
301.12164	4.7
301.15610	1.6
302.13083	1.4
303.10336	1.3
303.13858	3.2
304.10843	1.5
305.11728	3.3
305.15433	2.5
307.09869	1.5
307.13318	6.9
307.16666	1.3
308.13980	1.4
309.11249	2.2
309.14810	12.4
311.13351	1.4
313.11099	1.6
315.13708	2.0
317.11826	1.4
317.15344	1.0
317.19064	1.0
319.13315	8.6
320.13922	1.7
321.11105	3.2
321.14725	2.1
322.12054	2.9
323.12784	4.8
323.16476	6.2
325.10938	1.2
325.14270	4.4
325.17978	1.1
327.13535	1.2
331.13300	3.3
333.11374	1.0
333.14743	5.3
334.15430	1.3
335.12762	1.3
335.16342	3.4
337.10480	2.0
337.14355	27.0
337.18362	1.5
338.14880	1.9
339.12198	3.4
339.16019	2.3
340.12933	5.9
341.13895	4.1
341.17557	1.6
343.16946	1.5
345.14728	2.1
347.16406	1.6
349.14377	4.0
351.15964	3.8
353.17697	5.6
355.15695	2.8
357.14273	1.3
361.14386	4.7
361.18332	1.6
363.19742	1.5
367.15402	11.1
369.17154	2.4
371.16299	3.9
373.18121	1.9
375.15793	2.2
377.13620	1.2
379.15341	12.8
379.19336	1.2
380.16156	1.5
385.17691	1.7
387.19629	1.3
389.17426	10.7
391.15228	2.2
391.19513	1.9
393.16916	2.0
397.16470	34.6
398.17194	4.1
399.15952	6.6
403.19165	1.3
405.20889	1.7
407.18555	8.9
409.20511	1.5
413.17422	3.1
415.19034	3.0
417.16910	36.3
418.17270	4.9
419.14795	1.2
421.20123	2.1
423.21878	0.9
431.18469	6.2
433.20358	6.3
435.18018	92.2
436.18460	8.6
437.16077	4.2
441.16934	2.6
449.19641	11.8
450.20007	1.1
451.21564	8.6
453.19098	4.2
459.18030	12.2
459.31216	2.3
460.18314	1.3
467.20657	2.9
477.19077	27.5
477.31851	1.5
478.19537	3.3
495.20102	66.6
496.20474	6.1
513.21216	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2742
Annotation	Ripostatin A
Peak:m/z	Relative Intensity
51.34683	2.3
55.01870	7.5
55.05515	72.8
63.34680	2.4
65.03923	4.5
67.05511	25.5
69.03432	4.6
69.07069	10.3
69.58560	13.0
74.20544	2.5
79.05496	22.8
81.07069	22.4
83.04985	100.0
83.08607	5.1
91.05486	39.7
93.07052	48.5
95.01334	4.4
95.04971	10.7
95.08046	4.5
95.08612	67.3
97.02876	2.9
97.06528	6.7
98.22691	4.7
99.00805	8.1
103.05470	4.8
105.07029	57.3
107.04948	3.7
107.08607	32.2
109.02848	2.8
109.06526	12.7
109.10158	15.2
111.04440	17.1
111.08109	12.6
115.05454	4.9
117.07017	19.8
119.04910	4.4
119.08585	85.4
121.06516	18.4
121.10149	29.7
123.00799	7.9
123.08080	19.8
125.09621	4.0
128.05411	4.2
128.06207	16.0
129.07036	14.9
130.07793	3.9
131.08577	31.6
133.06491	11.6
133.10121	30.7
134.07182	2.7
135.08067	19.9
135.11685	10.2
137.06036	5.1
137.09627	5.9
139.07541	11.9
141.01849	4.6
141.06987	6.8
141.09119	5.2
142.07808	12.1
143.08554	34.4
144.09299	3.4
145.06485	3.6
145.10127	43.7
147.08076	22.8
147.11687	22.3
149.05946	4.0
149.09602	10.1
149.13258	4.5
151.07567	4.8
152.06229	3.1
154.07857	3.1
155.06067	2.8
155.08586	18.9
156.09319	10.2
157.06516	5.7
157.10146	33.7
158.07260	6.3
159.08040	14.7
159.11714	31.8
160.12445	10.2
161.05977	9.5
161.09604	27.3
161.13255	10.0
162.10059	2.5
163.07489	5.5
163.11148	6.1
165.07002	6.3
165.09062	3.6
166.07860	3.3
167.08568	6.9
168.09348	5.8
169.06514	3.1
169.10083	22.1
170.10941	4.0
171.08046	28.4
171.11713	23.2
173.09631	20.0
173.13251	16.0
174.10182	3.1
175.07512	8.0
175.11244	13.3
177.09058	4.1
177.12733	2.9
179.08557	7.0
179.10742	3.1
180.09331	4.8
181.06558	2.7
181.10129	12.8
183.08076	4.0
183.11658	16.8
185.09656	13.8
185.13211	17.3
187.07552	3.3
187.11185	21.0
187.14799	7.3
189.09114	24.0
189.12775	8.4
191.07024	2.9
191.10672	7.1
192.09294	3.0
193.10121	10.4
194.10794	4.3
195.06497	5.8
195.08173	3.3
195.10080	4.3
195.11708	11.4
196.08742	3.9
197.09685	8.3
197.13219	15.8
198.10349	2.9
199.07527	9.6
199.11133	12.6
199.14833	8.3
200.97105	2.7
201.09070	6.8
201.12773	10.5
203.10599	6.2
205.10313	2.7
206.10997	3.2
207.10101	7.0
207.11751	15.6
208.12479	6.4
209.09627	5.9
209.13156	12.8
211.07487	3.8
211.11218	8.9
211.14827	7.6
213.09222	4.7
213.12735	10.5
213.16339	16.0
215.10747	5.5
215.14287	3.6
215.17859	12.8
217.08560	32.4
217.10249	3.5
217.12108	4.9
219.11659	7.9
220.45493	2.4
221.09541	3.0
221.13226	8.8
221.25420	2.5
222.10416	3.7
223.11148	7.4
223.14851	16.2
224.11900	3.4
225.09166	5.8
225.12755	12.3
225.16382	7.0
226.13358	3.8
227.14279	7.6
229.15887	8.4
231.11887	3.9
231.13838	3.5
232.12492	4.9
233.13321	5.3
235.11305	5.5
235.14751	3.6
237.09245	3.6
237.12669	5.9
237.16219	4.3
239.10596	2.6
239.14302	5.8
241.12349	4.3
241.15851	15.0
243.13783	3.1
243.17430	6.9
246.13954	2.6
247.14874	3.5
247.17014	3.6
249.12827	4.5
249.16388	5.0
251.10741	6.4
251.14391	4.3
251.17944	4.2
253.12286	6.1
253.15791	3.3
259.14685	5.6
259.16998	26.3
261.12683	2.7
261.16226	4.8
261.18613	5.9
263.06918	3.5
263.10751	3.2
263.14279	4.3
263.17883	5.1
265.12299	3.9
265.15988	3.9
269.04440	8.5
273.16284	4.2
275.14310	2.9
275.18027	5.3
277.15790	7.7
279.13837	3.7
279.17325	4.0
281.11661	2.8
281.18976	3.8
283.13220	5.0
289.12265	3.6
291.17560	3.9
292.07135	3.4
293.19022	4.5
295.13672	3.2
295.16891	6.1
303.06601	3.8
307.06134	3.3
309.07443	2.8
309.14944	3.1
309.18549	3.5
310.08420	5.6
312.06259	6.5
319.16858	5.5
321.07648	3.8
321.18445	4.5
335.09119	4.2
336.09723	3.8
337.18076	9.0
341.10251	4.3
345.18430	4.1
353.24954	13.2
355.19196	4.3
355.26343	4.1
365.10352	3.2
367.11630	7.6
377.10156	6.0
378.21869	3.3
381.24072	10.9
395.11166	10.4
397.27432	5.8
399.23053	3.2
413.24640	9.2
415.26495	3.0
417.24454	13.4
423.22238	3.3
431.25900	14.6
433.27481	3.6
435.25336	70.9
436.25528	9.4
441.24106	11.2
449.26694	13.6
451.28452	3.0
459.25333	40.6
460.25705	11.7
461.26373	3.4
477.26312	95.9
478.26553	11.5
495.27438	76.6
495.34747	4.2
496.28110	12.5
496.34628	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.274
Annotation	Artesieversin
Peak:m/z	Relative Intensity
53.83898	4.2
55.05507	7.7
67.05506	15.9
69.03424	12.0
69.07070	6.9
76.93527	4.5
79.05492	13.7
81.03363	5.4
81.07047	22.1
89.96420	4.6
91.05475	25.0
93.07062	14.1
95.04981	7.1
95.08614	12.0
98.22544	9.7
105.07033	35.5
107.08601	15.9
115.05403	7.1
117.07038	15.5
119.08573	31.4
121.06506	11.7
121.10146	9.8
123.08041	8.4
128.06229	13.1
129.07019	25.0
130.07793	5.6
131.07704	7.5
131.08534	27.0
133.06497	13.6
133.10138	17.0
135.08069	13.3
141.06973	10.5
142.07796	27.4
143.08557	29.5
145.06532	12.4
145.10152	25.3
147.08041	25.9
147.11731	8.9
149.09666	6.7
153.07019	5.3
154.07835	6.6
155.08542	25.2
156.09335	12.3
157.06488	6.7
157.10152	40.9
158.87331	5.0
159.08060	18.9
159.11678	9.4
161.05997	6.8
161.09604	31.3
165.07071	14.9
167.08582	12.6
169.10161	38.3
171.08081	21.3
171.11679	22.8
173.09651	19.5
173.13271	9.5
175.07402	4.9
175.11208	36.0
175.68875	4.6
177.09174	7.9
178.07826	7.1
179.08540	12.8
180.09357	12.1
181.10155	23.6
182.10883	9.9
183.08115	8.3
183.11714	15.3
185.09618	36.2
187.11194	8.7
189.09149	15.4
189.12831	7.7
191.10529	4.9
192.09294	6.0
193.10176	15.0
194.10947	6.3
195.08173	6.2
195.11633	25.4
196.12431	6.7
197.09622	21.3
197.13298	14.8
199.00041	4.0
199.11179	28.0
201.09177	5.3
201.12801	6.3
203.10661	65.7
205.10173	5.2
205.12369	6.5
207.11761	17.4
208.12306	5.7
209.09653	11.0
209.13289	14.5
211.11192	17.9
211.14828	20.6
213.12798	11.7
215.10696	7.6
217.12227	15.7
219.11665	9.1
221.09729	7.9
221.11418	24.2
221.13498	11.0
223.11198	19.2
223.14835	8.3
224.12013	5.5
225.12694	10.8
230.10873	8.1
231.11833	6.7
235.11232	13.0
237.12830	18.2
239.14307	30.0
241.12387	8.1
243.13882	8.0
247.14923	6.9
249.12769	7.3
251.14391	7.8
257.15405	23.4
261.16312	5.1
263.14359	10.6
271.14639	6.6
293.15399	5.8
315.17413	5.4
333.18762	7.7
351.19595	6.9
359.09366	4.8
395.23788	9.5
401.21048	6.3
413.24762	10.3
423.23315	28.8
431.25827	100.0
432.26031	13.7
441.24380	41.7
442.24460	7.9
459.25293	85.1
460.25537	10.2
477.26382	50.7
495.27322	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2741
Annotation	Artesieversin
Peak:m/z	Relative Intensity
51.77480	9.7
55.01852	10.0
64.61819	10.6
67.05517	17.5
69.03430	14.3
74.91432	15.4
75.75674	9.9
79.05493	19.3
81.07054	93.5
83.04985	14.1
91.05482	26.3
93.07057	26.5
95.04999	23.6
95.08607	33.9
97.02882	13.2
98.22572	32.7
105.07001	15.9
107.08586	20.7
109.06537	58.9
111.08097	14.4
117.06979	12.3
119.04930	10.6
119.08582	33.3
121.06496	18.8
123.08106	15.4
129.07027	12.2
131.08562	17.7
133.10135	29.6
137.05995	100.0
139.07581	10.0
143.08553	19.0
145.06435	10.8
145.10168	10.8
147.08018	17.1
151.07536	18.5
157.10168	22.8
159.11615	16.1
165.07010	24.8
167.08554	13.0
169.10043	20.8
171.11646	13.0
173.09708	12.1
175.07478	12.0
179.08572	20.5
181.10078	14.0
183.11603	22.5
185.05902	15.3
187.11232	12.6
195.07967	12.3
197.09613	22.0
199.07410	16.0
207.11650	14.2
211.07321	11.3
213.09053	14.0
215.10689	22.2
229.48517	14.5
233.09692	12.7
235.11115	11.4
239.14198	13.5
251.10616	16.7
265.12167	13.8
279.13937	12.7
337.14200	16.2
350.67026	11.3
367.15561	17.2
369.86044	12.7
397.16336	31.3
407.18341	19.5
417.16702	32.7
435.18045	86.5
441.24133	32.0
459.25110	45.4
460.25662	16.7
472.36890	11.4
477.18823	20.6
477.26178	16.7
495.20169	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2741
Annotation	Ripostatin A
Peak:m/z	Relative Intensity
53.03939	8.6
55.05515	13.1
67.05513	30.8
69.03424	5.5
69.07079	8.4
69.08241	47.4
79.05498	19.0
81.03407	5.7
81.07053	18.8
83.04984	29.6
91.05484	29.4
93.07038	42.8
95.04942	14.7
95.08612	68.7
97.06528	8.0
98.22623	9.0
103.05431	7.2
105.07034	34.7
107.04951	6.7
107.08575	27.9
107.31895	6.2
109.06543	11.5
109.10155	10.0
111.04451	8.2
111.08091	5.4
117.06982	11.5
119.08583	56.8
121.06525	12.7
121.10142	15.3
123.08079	16.7
125.09612	6.4
128.06187	8.6
129.06995	11.0
131.08606	25.0
133.06474	13.5
133.10121	26.7
134.06825	5.9
135.08049	15.7
135.11671	6.9
137.05983	5.6
141.07043	8.9
142.07794	12.0
143.08595	23.8
145.06494	14.2
145.10117	20.2
147.08046	33.5
147.11667	14.4
149.13237	6.1
155.08539	14.2
156.09250	7.9
157.06487	14.1
157.10126	30.9
159.08051	17.0
159.11688	21.1
161.09619	22.3
161.13202	6.1
163.11266	6.3
165.06923	8.1
167.08540	9.3
169.10112	9.9
171.08069	11.2
171.11653	11.5
173.09634	14.1
173.13225	6.3
175.07521	42.7
175.11191	9.8
179.08499	10.7
181.10081	12.6
183.08012	11.2
183.11659	16.0
185.09576	15.3
185.13287	6.6
187.07573	25.0
187.11217	20.3
189.09102	8.6
189.12773	11.2
191.08490	5.1
192.09189	6.8
193.10146	15.7
194.10941	6.1
195.08054	7.5
195.11702	15.5
196.08749	5.8
197.09639	14.2
199.07591	6.4
199.11176	17.7
201.12723	6.7
206.10797	6.3
207.11684	14.3
209.09555	11.4
209.13274	18.1
211.11197	22.3
211.14693	5.1
213.09183	5.3
213.12718	9.6
215.10703	10.2
219.11763	8.3
221.09552	6.5
221.13203	11.3
222.10384	7.0
223.11197	13.9
223.14760	5.0
225.12708	18.0
227.10678	14.2
233.13257	9.1
235.11113	10.3
235.14909	7.0
237.12694	30.8
239.10550	6.5
239.14413	12.0
241.15874	5.4
247.11179	12.1
247.14793	9.6
249.12685	14.4
249.16454	9.9
253.12175	10.9
255.13765	6.6
263.14337	10.3
265.12253	11.6
273.16382	6.0
277.15939	9.9
283.13235	8.2
291.17218	13.8
293.15686	5.5
293.19049	7.8
301.16034	6.8
303.17484	8.0
305.15521	5.7
309.15079	5.0
309.18466	7.1
315.19772	6.4
319.16858	16.7
321.18182	5.5
335.19830	5.5
337.17746	11.3
339.19507	8.7
403.25906	8.9
413.24719	11.7
431.25983	36.6
441.24225	40.2
449.26849	100.0
450.27087	9.2
459.25250	43.7
460.25211	7.3
477.26315	75.2
478.26703	7.8
495.27435	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.7
54.07507	1.0
55.05512	78.7
56.05857	1.8
61.91759	1.0
66.14835	1.2
67.05502	8.0
69.03424	1.4
69.07051	2.7
69.09727	4.2
69.10145	5.7
71.04998	1.1
79.05482	5.3
81.03416	2.3
81.07054	4.3
83.04983	100.0
84.05319	2.1
90.59144	1.0
91.05477	8.6
93.07056	12.9
95.04987	2.4
95.08610	16.3
97.06527	2.2
105.07014	10.6
106.30427	1.1
107.04968	1.5
107.08599	7.4
109.06535	3.2
109.10175	2.7
111.04452	2.4
111.08063	7.4
115.05467	1.8
117.07034	3.6
119.08574	9.3
121.06521	3.4
121.10168	2.3
123.08067	6.3
128.06226	1.9
129.06982	2.8
131.08606	6.3
133.06497	2.4
133.10172	6.4
135.08086	1.5
137.06000	1.8
139.07550	1.4
141.06992	3.9
141.09119	1.4
142.07788	4.3
143.08565	9.0
145.06467	1.8
145.10114	10.4
147.08069	4.3
147.11714	2.6
149.06000	2.8
149.09618	1.7
151.07619	1.5
153.05443	1.9
154.07875	1.2
155.08556	4.8
156.09378	2.5
157.06491	1.3
157.10126	11.1
159.08049	4.3
159.11722	6.1
161.05902	1.0
161.09657	3.9
161.13272	2.2
163.21080	1.1
165.06976	2.3
166.07776	2.3
167.07104	1.6
167.08569	3.4
168.09361	1.1
169.10097	7.7
170.10968	1.6
171.08099	3.9
171.11696	7.0
172.08852	1.6
173.09636	4.8
173.13393	1.4
175.07526	2.1
175.11168	2.4
178.07872	1.4
179.08559	3.2
180.09232	1.5
181.10133	6.6
182.10907	1.4
183.08170	1.7
183.11693	7.9
184.12073	1.1
185.09598	4.7
185.13216	2.9
187.07629	1.6
187.11226	3.1
187.14798	1.4
189.07031	1.9
189.12740	1.7
191.08571	2.1
192.09317	2.7
193.10184	5.4
194.10945	1.2
195.06575	3.9
195.08107	2.5
195.11768	5.0
196.08781	1.2
196.12466	1.7
197.09706	1.9
197.13287	4.6
199.11209	3.4
199.14993	1.5
201.09125	1.7
201.12718	1.8
205.10185	2.6
207.08102	1.7
207.11671	5.1
209.09607	3.7
209.13261	4.9
211.11192	4.4
211.14722	1.6
213.09131	1.3
213.12717	1.8
215.10710	2.8
217.10187	1.9
218.10870	2.1
219.11726	3.0
221.09653	1.9
221.13271	4.5
223.11212	5.0
223.14824	3.1
224.08115	1.3
225.09111	1.2
225.12822	3.2
227.10725	2.6
227.14281	1.8
231.11771	1.9
233.09685	1.4
233.13301	3.3
235.07527	2.5
235.11150	3.5
235.14769	1.7
236.11688	1.3
237.09073	1.9
237.12732	3.4
237.16510	1.2
239.10521	1.4
239.14265	2.8
241.12276	2.2
241.15721	2.0
243.13898	1.6
247.11194	2.4
247.14749	2.3
249.05511	1.5
249.09161	2.7
249.12698	1.8
250.13544	1.3
251.10730	3.0
251.14296	3.3
253.12125	2.8
253.15912	1.7
255.13934	2.1
259.10974	1.3
259.14813	2.0
261.05688	1.4
261.12839	1.4
263.07135	3.9
263.10651	2.7
263.14209	2.1
263.18091	1.1
264.07660	1.6
265.12183	2.6
265.15952	2.4
267.06500	2.0
267.13782	1.9
267.17297	2.0
269.04514	10.4
271.13248	2.9
273.16534	1.8
275.14249	1.6
277.08615	2.5
277.12280	1.8
277.15912	2.9
279.06680	2.6
279.13751	2.7
279.17102	1.7
281.04404	1.6
281.11832	1.4
281.15314	1.3
282.01672	1.4
283.13467	2.6
290.05679	1.6
291.06537	2.1
291.14063	2.1
291.17542	3.4
292.07281	4.3
293.08075	2.4
293.15387	2.4
293.19019	1.3
295.05969	2.4
295.16855	2.9
297.03934	3.7
303.06470	2.8
303.17743	2.1
304.07162	2.3
305.04626	2.1
305.08026	3.5
305.15384	1.6
306.05524	1.3
306.08777	1.9
307.09720	3.7
309.07547	2.0
309.18439	1.9
310.08264	7.8
311.05426	1.9
311.08746	1.3
311.16486	2.0
311.19989	1.7
312.06384	8.0
319.06079	3.3
319.16934	5.5
320.06741	1.6
321.07672	6.7
321.18478	4.0
325.07114	2.7
333.07828	1.7
334.08310	2.0
335.09189	6.2
336.09875	4.6
337.06952	1.4
337.10599	2.3
337.17938	4.1
339.08594	3.9
339.12320	2.2
339.19601	4.8
341.10242	8.1
345.18387	2.8
347.05417	1.7
355.18985	2.0
362.07715	1.7
363.08670	4.2
363.19626	1.5
364.09341	1.8
365.10193	3.6
367.11743	10.1
377.10287	6.4
387.23364	1.3
395.11252	14.7
413.24545	2.5
415.22324	1.6
417.24420	1.6
431.26096	5.4
433.23398	3.0
441.24258	5.9
449.26926	4.4
459.25421	15.4
460.25378	1.8
477.26376	46.9
478.26749	4.7
479.91031	1.4
495.27338	17.5
496.28021	2.6
506.78186	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2739
Annotation	Ripostatin A
Peak:m/z	Relative Intensity
53.03938	17.5
55.01860	12.1
55.05509	44.7
57.03436	21.1
57.07058	5.4
59.05016	5.1
65.03925	7.6
67.05502	75.2
69.03431	21.4
69.07075	28.2
71.04991	13.9
71.31100	5.0
79.05490	77.5
80.05836	4.0
81.03418	80.3
81.07056	98.4
82.03777	4.9
83.04982	36.5
83.08618	43.0
85.02897	38.8
85.06532	8.7
87.05419	4.2
91.05478	89.3
91.06013	7.1
92.05812	6.8
93.07046	76.9
95.04975	53.9
95.08625	68.5
97.02908	9.1
97.06516	16.0
97.10168	15.2
99.00839	6.2
99.04465	9.8
99.08102	5.1
103.05430	5.0
105.07032	81.2
107.04958	22.2
107.08599	50.0
109.02866	7.9
109.06533	37.4
109.10165	22.3
111.04434	18.0
111.08073	28.3
111.11755	3.7
113.06025	4.9
115.05450	11.2
117.07007	16.4
119.05033	3.8
119.08588	70.9
121.06537	21.8
121.07322	4.6
121.10140	34.6
123.04453	5.8
123.08074	17.1
123.11723	15.4
125.05942	4.1
125.09663	7.8
127.07576	5.6
128.06244	8.8
129.06990	30.4
130.07770	6.3
131.08580	53.2
133.06485	15.9
133.10110	44.1
135.04378	4.2
135.08055	15.0
135.11682	15.2
137.05995	22.0
139.07515	6.2
141.06955	11.6
142.07813	15.8
143.08592	22.4
145.06438	12.9
145.10106	26.1
147.08075	12.5
147.11699	26.4
149.06100	5.8
149.09637	14.5
149.13330	6.9
151.07596	5.5
151.11209	7.2
153.05450	4.5
153.09074	6.1
154.07726	6.6
155.08554	22.7
156.09250	6.9
157.06529	11.8
157.10149	39.0
159.08046	16.1
159.11667	11.8
160.08818	4.1
160.74667	3.9
161.05862	3.8
161.09634	12.8
163.07591	8.1
163.11209	7.6
165.06993	9.8
165.12791	8.0
166.07762	6.3
167.07132	5.6
167.08585	12.1
169.10126	24.9
171.08107	10.5
171.11629	21.6
173.09615	12.2
173.13246	9.7
175.07544	13.3
175.11157	31.2
177.09166	9.6
179.08575	14.8
180.09251	6.7
181.04993	8.8
181.06480	7.1
181.10088	20.5
183.08107	8.9
183.11716	11.9
184.12303	4.6
184.16899	4.8
185.09615	12.3
185.13229	9.1
187.11180	19.5
189.09087	9.6
189.11227	4.6
190.09480	4.1
191.08595	4.6
191.10652	6.3
191.14253	4.5
193.10155	16.7
193.12251	72.9
194.10959	4.7
195.06500	15.7
195.08115	8.3
195.11649	28.8
197.09677	12.6
197.13208	14.0
199.11194	18.1
201.12738	6.1
203.10623	10.1
205.10030	10.6
206.10817	6.1
207.11719	22.8
209.08083	11.3
209.09778	6.7
209.13264	22.7
211.11215	13.9
211.13292	67.0
211.14986	4.3
215.10716	6.5
217.10233	5.1
217.12115	8.1
218.10930	9.4
219.11676	12.8
219.13770	9.5
220.12447	8.2
221.09671	6.8
221.13286	12.0
223.09518	7.6
223.14854	10.2
225.09073	4.9
225.12703	14.5
227.12544	6.0
229.10139	6.1
231.11731	6.3
232.12340	7.0
233.13303	13.8
234.13829	7.4
235.11212	6.1
235.14824	9.6
237.12766	11.1
239.14337	7.4
243.11772	6.0
245.13286	8.9
246.14104	7.8
247.11243	5.3
247.14839	13.4
248.15460	5.7
249.12700	11.0
251.14279	8.9
251.18042	4.9
253.12198	6.5
257.13156	7.6
257.15469	5.3
259.15146	11.8
261.12787	5.2
261.16138	6.4
263.14435	10.7
265.12296	5.0
267.13513	6.4
267.15967	16.3
268.16238	8.8
277.15863	6.1
285.16934	5.2
289.15988	7.8
289.19315	6.4
303.17416	7.8
305.15546	5.1
311.26981	4.4
319.16928	7.0
321.18369	10.2
323.19971	5.8
345.18887	4.7
355.18893	6.5
367.22589	7.5
385.24091	7.9
403.24493	12.1
407.25934	5.3
413.24670	11.7
417.24030	14.5
419.18259	8.6
421.25818	25.3
423.23276	5.2
431.25784	15.9
434.25946	5.4
435.25223	6.0
441.24265	22.4
441.29605	5.3
449.26962	9.8
451.28436	5.6
459.25357	52.7
459.30914	7.8
460.27310	8.5
477.26364	61.7
477.32269	17.0
478.27841	12.6
495.28098	100.0
496.28558	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2744
Annotation	Ripostatin A
Peak:m/z	Relative Intensity
50.53553	3.3
53.03940	10.7
55.01863	8.3
55.05509	33.3
57.03425	5.8
57.07068	9.8
59.04977	2.8
63.69290	2.7
65.03934	6.4
67.05177	4.4
67.05506	62.2
69.03420	11.2
69.07064	27.9
69.15419	26.3
69.15976	2.7
69.87493	2.8
71.04996	7.0
79.05491	44.4
80.05793	2.9
80.29950	2.6
81.03416	14.4
81.07054	85.0
82.07379	3.0
83.01357	3.5
83.04980	24.7
83.08615	13.2
84.08947	3.1
85.02911	12.8
85.06551	17.5
91.05479	53.1
93.07043	62.8
95.01339	3.9
95.04967	26.1
95.08608	74.8
97.02897	7.0
97.06521	11.1
97.10173	5.9
98.22612	4.8
99.00827	14.6
99.04458	7.0
101.06014	2.8
103.05466	10.6
105.07031	66.0
107.04940	9.9
107.08594	47.5
109.02878	6.0
109.06506	19.5
109.10162	21.5
111.04452	18.2
111.08081	17.7
113.06019	6.6
115.05434	9.0
117.07014	16.1
119.04948	6.3
119.08563	39.7
120.08900	3.0
121.06509	28.4
121.10138	24.9
123.04422	6.6
123.08071	27.0
123.11695	11.5
125.05981	13.6
125.09641	6.5
126.19579	2.9
128.06218	11.6
129.07004	21.8
130.07768	7.6
130.52884	3.1
131.04913	3.9
131.08560	39.6
133.06444	18.3
133.10130	26.3
135.04401	5.1
135.08067	20.2
135.11670	15.4
137.05975	12.1
137.09624	4.7
137.13283	3.8
139.07533	13.3
141.06992	11.4
142.07761	12.8
143.08546	37.6
144.09300	3.5
145.06470	12.1
145.10107	29.7
147.04387	4.1
147.08002	15.1
147.11708	16.4
149.05983	10.5
149.09593	15.1
149.13200	5.6
150.10033	3.3
151.07518	28.7
153.05426	6.5
153.06967	6.1
154.07791	4.6
155.07259	5.5
155.08534	38.6
156.09348	10.0
157.06485	8.6
157.10130	34.8
158.07249	5.2
158.10577	3.1
159.08037	16.1
159.11720	20.9
161.05988	5.0
161.09621	22.1
161.13290	5.7
163.03923	8.1
163.07527	10.0
163.11169	7.1
165.05565	4.7
165.07018	8.2
165.09172	8.1
166.07809	6.7
167.07053	8.5
167.08545	12.3
168.09306	4.7
169.06453	6.0
169.10104	27.4
169.73190	2.9
170.10873	3.9
171.08058	11.0
171.11676	25.6
172.08754	5.1
173.08212	5.0
173.09608	34.4
173.13255	9.2
175.07584	14.4
175.11189	16.6
177.05470	9.8
177.09093	11.7
178.07832	6.3
179.07118	5.8
179.08524	14.4
179.10664	4.2
180.09309	6.8
181.04951	21.9
181.06422	4.9
181.08701	4.1
181.10123	21.2
182.10925	5.5
183.06546	6.0
183.08101	8.5
183.11685	23.6
185.09654	16.0
185.13213	11.7
187.07562	3.7
187.11166	15.9
189.09097	32.7
189.12746	4.8
191.07011	3.5
191.10706	8.9
192.09290	8.2
193.08617	10.9
193.10130	17.7
193.12221	9.5
194.09358	14.3
194.10896	6.5
195.06512	50.0
195.08083	7.5
195.11662	22.7
196.08772	3.6
196.12398	8.2
197.09657	14.5
197.13263	18.3
199.07501	3.4
199.11226	17.1
199.14890	3.5
201.09074	6.7
201.12746	7.6
202.07849	3.1
203.08794	5.4
203.10643	26.3
205.10184	8.1
205.12277	9.8
206.10951	9.4
207.06406	3.5
207.11693	20.8
208.12386	6.3
209.07942	18.8
209.09697	8.0
209.13199	22.5
210.10332	5.0
211.11179	13.0
211.13074	6.6
211.14903	14.4
212.11697	3.1
213.09123	5.5
213.12759	10.3
213.16611	3.5
215.10628	9.2
215.14331	4.5
217.04874	5.0
217.10321	3.6
217.12206	6.4
218.10939	8.5
219.09865	4.5
219.11671	11.8
220.12392	6.1
221.09755	6.5
221.13362	15.3
222.10344	6.5
222.13834	3.4
223.09460	28.0
223.11301	8.1
223.14825	9.6
224.11945	5.6
225.09215	3.3
225.12827	17.1
225.16324	4.1
227.10576	4.4
227.14243	6.5
229.12317	5.8
231.11775	6.4
232.12384	4.4
233.13350	13.8
235.11302	5.9
235.14819	10.8
236.11876	3.6
236.15416	3.3
237.10783	20.4
237.13040	8.7
237.16460	4.4
239.10622	3.4
239.14244	12.9
241.12222	9.2
241.15970	4.0
243.11606	4.1
243.13818	8.5
244.12363	4.6
245.04462	6.7
245.09624	3.9
245.13287	8.2
247.11166	7.9
247.14859	9.4
248.12128	4.1
249.11189	12.8
249.16447	11.0
251.14413	7.6
253.12265	6.4
253.15953	3.2
255.13820	7.4
257.12970	4.0
257.15338	7.8
258.14096	6.1
259.11096	4.2
259.14954	6.3
260.15378	5.0
261.12692	8.0
261.16489	9.1
262.13589	4.4
263.14645	5.8
264.15076	3.2
265.12106	7.3
265.15952	4.3
267.13721	5.9
269.15457	3.2
273.03842	7.0
273.12619	3.6
275.17758	5.9
277.15723	8.8
279.13889	6.4
279.17520	5.6
281.15414	6.7
288.15118	4.6
289.15884	3.7
291.17474	5.1
293.15149	5.8
293.18817	4.6
295.17276	5.4
301.03561	7.3
303.17316	6.0
305.17947	3.8
309.18643	4.9
315.23376	4.4
317.18799	8.0
319.16833	4.4
319.20285	3.6
321.18491	5.9
327.04904	10.1
335.20096	6.0
339.19672	4.9
357.18161	3.8
363.19504	10.1
365.21436	3.0
371.23697	3.5
375.25348	6.0
378.14554	3.2
381.20520	10.0
385.22659	3.2
389.24606	5.7
395.23697	3.4
399.23160	5.7
403.24976	3.1
413.24606	12.0
415.26825	3.6
417.24387	23.7
419.22147	3.7
423.23260	5.8
429.30191	10.6
431.25854	35.8
432.25937	5.8
433.27628	13.6
435.25507	21.7
441.24133	25.5
441.30035	13.2
447.25180	6.4
449.27045	24.1
451.28317	11.7
459.25143	64.6
459.31012	52.7
460.25473	5.1
460.31543	5.1
477.26114	67.6
477.32059	100.0
478.26498	7.5
478.32452	9.4
495.12939	41.1
495.27328	65.5
495.33267	22.0
496.12692	3.5
496.27484	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2743
Annotation	Ripostatin A
Peak:m/z	Relative Intensity
51.67727	5.8
53.03937	8.4
55.01864	7.2
55.05499	24.9
57.03418	6.2
57.07066	8.9
67.05505	47.2
69.03422	10.9
69.05296	49.9
69.07061	21.5
69.49039	4.6
71.04978	11.7
79.05505	27.4
80.38885	5.2
81.03430	9.1
81.07050	42.0
83.04994	40.4
83.08600	7.1
91.05479	55.1
93.07055	60.1
95.04965	20.2
95.08605	70.4
97.02870	7.5
97.06512	13.4
105.07030	54.8
106.07381	5.7
107.08582	37.4
109.06522	17.4
109.10137	14.6
111.04434	21.7
111.08069	21.7
115.05425	5.7
117.06999	17.1
119.08569	47.0
121.06474	24.6
121.10139	15.1
123.04402	7.1
123.08087	24.8
128.06201	16.3
129.07014	23.6
131.08604	44.9
133.06419	7.7
133.10118	32.0
135.08052	21.7
135.11673	8.8
137.05882	13.0
139.07532	12.7
141.06970	17.0
142.07797	18.7
143.08568	34.8
145.06482	11.4
145.09146	5.1
145.10121	36.3
147.08052	19.1
147.11678	16.0
149.09619	8.6
151.07535	7.3
153.06876	10.8
154.07779	11.7
155.08534	42.6
156.09325	7.1
157.06516	10.4
157.10136	41.6
159.08052	21.1
159.11699	30.3
161.09621	31.3
161.13249	5.6
163.11145	6.0
165.07021	18.1
167.08514	16.3
169.06465	6.5
169.10162	37.1
170.10753	7.8
171.08051	16.6
171.11673	25.7
173.09581	19.1
173.13220	6.5
174.42152	5.3
175.11179	15.2
178.07762	7.6
179.08571	22.2
180.09322	10.4
181.10071	27.0
182.10776	9.6
183.08005	11.7
183.11691	23.3
185.09615	20.7
185.13208	20.3
187.07568	19.6
187.11200	17.6
189.09068	8.9
189.12854	8.1
192.09325	12.3
193.10121	30.0
194.10870	15.6
195.08046	9.6
195.11751	30.5
195.13330	5.7
197.09604	16.7
197.13219	18.3
198.10379	6.2
199.07582	6.6
199.11195	22.8
199.14880	10.8
201.08983	13.5
201.12825	7.9
201.66794	6.1
203.08525	7.8
203.10619	9.9
204.09341	8.4
205.10136	12.0
206.10825	7.6
207.11751	29.5
207.13513	7.0
208.12360	8.2
209.09688	12.5
209.13254	31.9
211.11208	27.2
213.09222	6.0
213.12680	12.5
215.10504	9.3
216.09283	6.0
217.12166	7.3
218.10907	8.2
219.11673	20.9
220.12338	12.3
221.09763	6.7
221.13210	22.9
222.10355	8.7
223.11157	22.8
223.14810	16.1
225.09122	11.3
225.12746	21.2
225.16441	5.9
227.14345	14.9
229.10098	7.4
229.12256	9.8
231.11717	11.2
232.12422	12.8
233.13396	13.7
234.10287	6.3
235.11095	13.2
235.14819	14.9
236.15334	5.7
237.12679	35.7
239.10646	7.3
239.14355	13.6
244.12251	6.6
245.13274	9.7
247.11101	11.2
247.14825	19.1
249.12723	16.1
249.16411	15.3
251.14314	15.5
253.12206	12.3
253.15871	7.0
255.13773	12.8
259.14819	14.1
261.12567	8.3
261.16486	9.3
263.10693	7.5
263.14407	13.4
263.17822	9.9
265.12057	7.5
265.15982	12.0
273.16461	10.3
275.13861	7.3
275.17813	6.0
277.15854	15.0
279.17471	5.5
283.13138	10.2
289.15656	6.3
291.17471	25.7
303.17429	6.5
305.15387	5.6
309.18414	7.1
319.16946	7.7
319.20538	9.2
321.18649	7.7
337.17850	12.4
345.18442	7.7
347.14066	5.7
405.24042	15.1
407.25717	13.3
413.24670	21.0
417.24179	15.8
419.25098	5.9
423.19150	7.4
431.25998	41.1
433.27695	6.7
435.25394	30.2
436.46796	5.5
441.20242	21.3
441.25018	9.4
449.27295	28.1
451.28387	7.5
459.21262	38.1
459.25659	27.6
477.26917	82.8
495.16107	11.7
495.27832	100.0
495.50662	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.8
55.01865	5.9
55.05511	32.6
57.03436	17.0
57.07061	3.4
65.03954	4.5
67.05507	52.2
68.05827	1.9
69.01070	2.1
69.01413	20.1
69.03430	8.4
69.07066	16.8
71.05001	13.1
79.05494	52.2
81.03421	89.6
81.06585	3.8
81.07059	71.4
83.04980	25.3
83.08622	37.9
85.02432	3.0
85.02909	44.9
85.03748	1.8
85.06554	8.8
87.04464	2.9
91.05479	69.9
92.05793	2.2
93.07042	50.1
95.04977	44.1
95.08612	39.2
97.02863	4.9
97.06522	9.6
97.10162	7.1
99.00803	3.1
99.04450	3.9
99.08086	3.3
100.11253	2.9
103.05461	3.9
105.07031	49.5
106.07335	3.7
107.04973	13.5
107.08597	25.3
109.06508	22.5
109.10162	12.1
111.04482	8.9
111.08094	21.7
113.06007	3.4
115.05430	4.7
117.07003	8.5
119.04946	2.3
119.08576	41.1
121.06501	11.7
121.10149	22.8
123.04414	2.7
123.08095	9.1
123.11712	6.4
125.09657	4.7
127.07610	2.3
128.06244	5.8
129.07008	23.6
131.08571	30.9
133.06496	7.2
133.10139	25.1
135.08064	7.8
135.11681	4.4
137.05963	3.9
137.09612	4.9
139.07541	1.8
139.11143	2.0
141.06966	3.1
142.07784	7.7
143.08548	7.6
145.06517	2.1
145.10103	13.0
147.08054	7.0
147.11678	26.6
149.06046	2.6
149.09610	14.3
149.13330	2.3
151.07556	4.6
151.11166	4.1
153.05423	2.5
155.08563	8.6
157.06496	2.3
157.10126	31.3
159.08075	4.5
159.11665	5.7
161.09615	2.5
163.11177	3.9
165.06981	2.7
165.12732	5.3
167.08514	3.0
169.10077	4.5
171.08025	5.6
171.11679	7.6
173.09608	7.7
173.13171	4.2
175.07622	2.6
175.11211	30.7
177.05478	2.3
178.07733	2.6
179.08508	4.5
181.04973	5.4
181.10161	5.7
183.06587	2.4
183.11694	5.8
185.09599	3.5
187.11197	4.3
189.09192	8.9
189.11040	1.7
191.08727	1.8
191.10637	3.1
193.10312	6.0
193.12236	89.2
194.12502	2.0
195.06519	9.8
195.11697	4.8
197.09589	6.2
199.07603	4.0
199.11162	6.3
201.09225	2.5
201.12735	5.4
205.10193	4.4
206.10811	2.5
207.11771	8.6
209.08018	3.0
209.13271	3.0
211.11316	7.5
211.13278	100.0
212.13545	2.3
213.12662	4.6
217.08560	2.8
219.11720	4.9
219.13835	7.1
220.12430	2.3
221.13260	12.1
223.09590	5.2
223.11279	4.9
223.14783	3.5
225.12802	5.1
229.10129	2.6
230.10971	1.9
232.12555	3.3
233.13329	4.7
233.15425	2.0
235.14815	4.0
237.10994	8.3
239.10678	5.3
239.14337	2.8
241.12282	3.1
244.12656	2.6
245.13084	2.9
247.11195	2.3
247.14798	5.2
249.11017	4.5
249.16576	2.2
251.14238	2.0
259.15082	7.0
261.16248	2.8
263.14282	2.2
263.17838	2.0
267.13620	2.5
267.16061	3.6
275.17737	3.5
277.16110	3.3
285.16895	4.5
293.17590	5.4
301.15909	3.4
303.17352	2.3
305.15375	1.9
309.18469	7.0
317.17838	2.1
319.16888	4.7
345.18591	3.7
367.22375	2.0
375.25314	5.3
385.23624	4.0
399.23120	5.6
403.25021	3.2
413.24713	3.0
417.24280	4.1
423.23636	2.4
429.30151	2.4
431.25867	6.1
435.25690	2.3
441.23984	9.0
441.29776	4.0
449.26770	2.5
459.26129	13.8
459.31137	16.8
477.25616	10.8
477.32990	18.4
495.29279	70.0
496.29391	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2755
Annotation	Longipedlactone F
Peak:m/z	Relative Intensity
50.01593	1.0
51.01918	0.2
51.02385	2.4
52.02711	0.6
53.03949	9.3
54.04288	3.1
55.01860	0.8
55.05499	0.4
67.05497	0.8
68.99792	0.3
69.07054	0.3
69.22516	0.9
69.22940	0.6
70.65224	0.2
71.07362	0.2
77.03926	2.2
78.04263	0.7
79.05491	0.6
81.03438	1.1
81.07044	0.5
82.03787	0.2
83.04993	0.4
91.05490	0.9
93.07040	0.9
95.04971	10.6
95.08611	1.2
96.05307	3.9
97.05645	0.3
105.03397	100.0
105.04536	5.5
105.06952	0.9
106.03726	46.8
106.04886	1.7
107.03993	7.6
107.05095	0.2
107.08582	0.6
109.06557	0.3
109.10132	0.3
112.02856	0.2
118.06593	0.2
119.08592	0.8
121.06464	0.3
121.10184	0.2
123.08089	0.5
126.70876	0.2
129.06976	0.3
131.08557	0.6
133.06499	0.2
133.10143	0.5
135.08052	0.4
137.09555	0.2
141.07024	0.3
142.07774	0.2
143.08586	0.4
145.10152	0.5
147.08009	0.3
147.11678	0.4
149.09720	0.2
155.08575	0.4
157.10120	0.8
159.11708	0.6
161.09578	0.3
171.07988	0.3
171.11641	0.6
175.11180	0.3
181.10164	0.3
183.11697	0.5
185.09587	0.3
187.11259	0.2
189.12796	0.2
193.10184	0.2
195.08012	0.2
195.11659	0.4
197.09731	0.2
197.13266	0.3
198.12691	0.2
199.13113	0.3
203.10762	0.3
207.11548	0.2
209.13359	0.3
211.11229	0.2
221.13458	0.3
225.16409	0.3
227.14297	0.2
233.13135	0.2
233.91206	0.2
253.12177	0.2
281.11816	0.2
291.17297	0.3
293.18695	0.2
337.17969	0.3
355.19455	0.2
357.16187	0.2
377.70337	0.2
381.20737	0.3
403.25876	0.2
431.25876	0.6
441.24643	0.2
449.27084	0.7
459.25250	0.9
467.27863	0.2
477.26331	2.3
495.27368	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.0
53.03941	4.2
53.23846	0.8
55.05512	26.6
57.03437	14.6
57.07071	1.1
59.05001	1.8
63.28516	0.7
65.03938	3.2
67.05506	34.2
69.03432	7.5
69.07070	9.0
71.01367	1.2
71.04988	8.2
79.05495	37.0
81.03419	100.0
81.07057	47.4
82.03778	1.6
82.07396	1.2
83.04981	23.2
83.08618	29.1
85.02906	52.0
85.06548	3.6
91.05481	53.5
93.07047	28.5
95.04974	38.5
95.08603	18.7
97.02896	5.5
97.06536	5.3
97.10162	6.2
99.08064	1.9
103.03926	1.1
105.04539	1.3
105.07028	39.1
106.07338	1.0
107.04966	8.6
107.08587	14.3
109.06527	7.7
109.10179	4.4
111.04451	6.6
111.08078	20.0
112.34850	0.8
113.05985	4.8
115.05447	2.3
117.06989	4.3
119.04942	1.2
119.08583	29.3
121.06481	4.2
121.10143	14.8
123.08066	5.2
123.11729	3.3
125.06071	1.2
125.09691	2.5
127.07596	1.0
128.06212	1.8
129.07016	17.4
131.08565	17.9
133.06523	3.7
133.10132	16.1
133.11073	1.5
135.08104	2.1
135.11708	1.3
137.05962	1.5
137.09628	2.9
141.07048	1.3
142.07759	5.9
143.08560	1.9
145.06506	1.0
145.10123	5.4
147.08052	5.3
147.10483	1.4
147.11673	23.2
148.12137	1.1
149.09581	8.6
155.08539	2.2
157.10130	21.3
159.08070	1.5
159.11722	1.8
161.09637	1.9
163.11169	1.7
165.06999	1.1
165.12711	5.6
169.10104	2.2
173.09767	1.3
173.13258	1.1
175.11185	25.3
179.08542	1.1
181.10164	1.3
185.09680	1.4
187.11270	1.0
188.77156	0.9
193.12245	88.0
194.10951	1.3
194.12604	4.0
195.11774	1.5
197.09677	1.1
199.11261	1.4
203.08627	1.1
203.10664	1.8
205.10161	0.9
207.11864	1.1
208.12479	1.1
211.13290	93.3
212.13689	2.4
213.12683	1.5
219.11714	1.1
235.14859	1.3
255.00957	1.1
267.15924	8.9
285.17047	3.9
305.15393	0.9
355.74854	0.9
385.23572	1.3
417.24316	2.0
423.23306	1.2
431.26010	1.4
441.24503	2.2
459.25229	5.2
477.27924	4.5
495.29550	62.1
496.29919	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.2
53.31430	0.9
55.01873	6.0
55.05508	5.3
57.03432	4.2
59.05005	1.2
61.02930	9.8
62.23828	1.0
67.05506	12.3
69.03427	28.2
69.07063	5.6
71.04996	3.2
73.02911	4.5
79.05488	13.8
81.03413	10.0
81.07059	22.1
83.01346	1.3
83.04998	5.2
83.08614	2.6
85.02905	71.7
85.06535	2.3
87.04485	5.1
89.02113	0.8
91.03948	4.5
91.05474	12.3
93.07044	20.6
95.04970	3.2
95.08040	1.9
95.08610	24.8
97.02898	28.2
97.06531	84.9
97.10168	1.2
98.06870	1.9
99.04461	4.5
105.03399	1.1
105.07032	19.3
105.43820	1.0
107.04967	4.0
107.08590	16.2
109.02882	9.0
109.06509	14.8
109.10150	12.5
111.08067	1.5
115.05512	1.0
117.07003	5.8
119.08582	40.6
120.08913	1.2
121.06506	12.4
121.10147	22.4
123.08063	8.4
123.11720	8.6
124.30620	1.0
125.05979	7.8
125.09637	1.1
127.03912	16.5
128.06174	1.6
129.07010	4.4
131.08569	12.8
133.06462	2.2
133.10127	15.9
135.08078	3.1
135.11703	10.0
137.06033	1.0
137.09612	2.1
141.06976	1.0
142.07846	1.1
143.08560	6.8
144.09378	1.1
145.04959	18.5
145.10130	16.8
147.08032	7.4
147.11685	9.2
149.09610	9.2
149.13254	5.3
151.07542	1.5
151.11174	1.6
155.08571	3.4
156.09341	1.9
157.10127	10.7
158.10818	1.2
159.08061	1.9
159.11693	11.9
161.09599	6.4
161.13228	9.3
163.06062	1.3
163.11171	5.0
163.14844	3.1
165.09190	3.0
165.12778	1.4
167.07112	1.3
167.08516	1.7
168.09311	1.1
169.10130	5.6
171.11702	8.8
172.12386	1.2
173.09627	7.0
173.13261	21.4
175.11189	12.6
175.14816	5.1
176.15117	0.9
177.12724	14.1
181.10220	2.3
183.11684	4.8
185.13269	5.5
187.11186	4.2
187.14833	4.6
189.12729	6.7
189.16449	2.2
191.14325	1.3
191.17982	3.9
195.11691	2.7
197.13219	5.5
199.11368	1.0
199.14870	4.3
201.12737	5.8
201.16360	8.6
203.14336	3.7
209.13145	4.7
210.13977	1.8
211.14859	2.9
213.12775	3.0
213.16425	4.3
215.14323	7.2
215.17986	2.4
217.15906	2.3
219.17499	1.6
223.14857	3.6
224.15533	1.1
225.16338	1.4
227.14316	2.6
227.17905	1.9
229.15894	1.8
237.16380	2.9
239.17957	8.5
241.15930	4.1
251.17963	2.3
253.19484	6.3
255.17424	1.2
255.21193	2.4
257.19049	1.7
268.18158	1.5
268.46005	1.0
269.19025	2.9
269.22693	1.7
271.20551	15.5
279.21082	17.5
280.21402	1.4
281.22635	4.0
282.19659	1.7
297.22122	100.0
298.22403	7.0
299.23688	8.1
315.23178	55.9
316.23639	3.4
333.24216	16.1
449.19772	1.2
473.51608	1.2
477.28290	2.3
495.29535	43.5
496.29535	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46413	0.8
53.03939	1.6
55.01861	2.9
55.05500	4.2
55.70572	0.9
56.90933	1.0
57.03426	2.6
58.14189	0.8
61.02919	4.6
63.14597	0.8
65.03939	1.5
67.05496	8.1
69.01574	1.1
69.01718	2.0
69.02137	5.8
69.03425	15.6
69.07079	6.0
71.04983	2.6
73.02913	1.9
77.03936	0.9
79.05489	11.2
80.16514	0.9
81.03413	7.1
81.07055	19.5
83.04967	5.5
83.08623	1.8
85.02902	37.7
87.04458	2.0
91.03941	1.3
91.05471	9.9
93.07043	19.9
95.04979	3.4
95.08603	21.6
97.02895	12.9
97.06527	58.9
97.10172	2.1
98.06839	1.3
99.04458	3.3
103.05495	1.1
105.07029	19.4
107.04969	4.3
107.08590	16.9
107.09287	1.5
109.02877	4.0
109.06512	10.8
109.10144	11.7
111.08057	1.3
115.03936	1.0
117.06973	4.6
119.08578	37.4
120.08921	2.0
121.06508	12.5
121.10138	31.9
122.88542	1.1
123.08059	10.8
123.11713	6.4
125.05999	7.8
127.03918	8.8
129.07016	2.4
131.08562	12.9
133.06502	1.4
133.10136	12.8
135.08052	1.9
135.11681	8.4
136.12032	1.0
137.05951	1.3
137.09641	2.9
137.13278	1.2
139.36690	0.9
142.07837	1.3
143.08543	5.8
144.09328	1.9
145.04947	9.5
145.10121	13.7
147.08037	7.4
147.11693	7.9
149.09633	8.6
149.13264	6.3
151.07542	0.9
155.08563	2.6
157.10123	8.0
159.08063	1.5
159.11679	11.9
161.09624	7.5
161.13252	10.4
163.11182	3.6
163.14832	3.6
165.09134	1.6
167.08545	0.9
169.10135	7.0
171.11670	7.7
173.09662	6.7
173.13255	22.9
175.11180	9.2
175.14842	6.9
177.12788	8.7
177.16472	1.8
181.10117	1.9
183.11707	4.9
185.11813	1.3
185.13240	5.0
187.11206	4.0
187.14838	4.2
189.12769	3.7
189.16440	2.4
191.14392	2.1
191.17979	4.0
195.11700	2.1
197.13231	6.0
199.11261	1.5
199.14886	5.2
201.12764	5.4
201.16429	8.4
203.14325	2.6
209.13242	6.3
211.14804	2.6
213.12840	2.7
213.16371	5.0
215.14365	5.1
215.17937	2.4
217.15977	1.6
219.17450	1.4
223.14827	4.6
224.15556	1.1
225.16389	2.2
227.14305	5.2
227.17992	2.9
229.15895	1.6
237.16391	2.5
239.17911	9.3
241.15921	4.0
251.18001	1.2
253.19505	3.3
255.21112	1.7
257.19098	1.8
268.18198	1.3
269.19070	2.7
269.22577	2.1
271.20483	6.9
279.21051	17.3
280.21771	1.2
282.19629	1.2
297.22116	100.0
298.22495	5.9
315.23184	51.9
316.23486	4.1
333.24243	21.5
477.28461	2.1
495.18616	1.4
495.29556	29.2
496.29947	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.4
51.02382	0.4
53.03938	3.4
55.05509	23.9
57.03434	14.6
57.07063	1.0
58.36830	0.3
59.04991	1.9
65.03938	2.7
67.05501	36.9
68.05832	0.4
69.03426	6.1
69.07063	8.3
69.82918	1.2
71.01340	0.7
71.04991	9.0
73.02893	0.6
73.06563	0.5
77.03928	0.8
79.05489	38.3
80.05833	0.6
81.03413	91.7
81.07052	40.2
82.03741	0.9
82.07397	0.6
83.04977	17.9
83.08614	31.0
84.08976	0.7
85.02899	47.1
85.06536	3.0
86.03246	0.5
87.04455	0.7
91.05476	49.1
92.05804	0.8
93.07038	25.4
94.07375	0.4
95.04961	39.7
95.08596	15.0
96.05290	0.7
97.02887	4.7
97.06524	5.3
97.10174	4.9
98.23330	0.4
99.04448	1.1
99.08092	1.6
101.05993	0.4
103.04766	0.4
103.05450	1.1
104.43153	0.4
105.04506	1.2
105.07024	34.8
107.04946	8.5
107.08588	10.5
107.09280	0.7
108.08913	0.4
109.06520	6.4
109.10155	5.1
111.04446	4.0
111.08070	18.7
112.08452	0.4
113.05997	4.6
113.96354	0.4
115.05431	2.7
116.06207	0.8
117.07011	2.8
119.04897	0.8
119.08575	28.9
120.08920	0.7
121.06501	2.6
121.10130	13.0
121.11005	0.7
122.10500	0.5
123.08063	4.5
123.11675	2.5
125.06013	1.0
125.09650	2.8
127.07586	0.6
128.06216	1.5
129.07001	14.7
130.07375	0.5
131.08560	16.3
133.06496	4.3
133.10121	13.3
135.08044	0.7
135.11703	1.3
137.05989	0.8
137.09602	2.9
137.13251	0.7
141.06979	0.5
142.07764	4.7
143.08376	0.5
145.06456	0.4
145.10074	2.8
147.08047	4.9
147.11676	21.8
148.12048	0.5
149.09605	8.7
151.07565	0.4
151.11157	0.5
155.08553	0.7
157.10115	19.4
158.10527	0.5
161.09605	0.6
163.11131	0.9
165.12732	4.8
175.11177	22.6
176.11577	0.8
181.04953	1.0
183.06647	0.4
183.13831	0.6
189.09087	0.6
193.12228	85.8
194.12578	3.1
195.06525	1.5
209.07991	0.6
211.13277	100.0
212.13614	3.1
223.09550	1.7
227.12766	0.5
233.15283	0.5
236.61008	0.5
237.11192	1.3
249.11249	0.8
249.14919	0.8
251.61931	0.3
259.62595	0.3
267.15866	6.7
285.16891	3.3
291.15808	0.6
367.22708	0.8
375.25186	0.5
385.23694	1.0
403.24680	4.8
419.21786	0.5
421.25629	0.7
441.29980	1.0
459.31039	2.3
477.27689	3.0
495.29465	64.9
496.29800	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.7
53.03942	8.2
55.01865	7.3
55.05273	3.0
55.05514	34.9
57.03437	15.8
57.07075	3.7
65.03933	5.8
66.28279	1.5
67.05504	55.3
69.03429	9.2
69.07062	14.1
69.09064	14.6
71.05000	12.0
79.05492	54.2
80.05830	2.1
81.03417	100.0
81.07059	73.0
83.04984	23.8
83.08621	41.1
83.09114	2.4
85.02908	48.2
85.06525	7.6
86.13766	1.6
89.21913	1.6
91.05482	71.5
93.04312	1.6
93.07048	41.6
95.04971	52.8
95.08611	34.0
95.39437	1.7
97.02898	7.3
97.06535	9.4
97.10172	7.3
99.00815	3.1
99.04430	3.4
99.08101	1.9
100.11266	2.9
103.05429	1.8
105.07027	49.3
107.04964	16.1
107.08600	21.8
109.06515	15.3
109.10139	11.7
111.04459	8.0
111.08085	20.8
113.05968	7.5
115.05447	4.0
117.07030	7.7
119.04953	1.7
119.08588	37.1
121.06499	6.6
121.10146	22.4
123.08065	6.9
123.11709	7.0
125.09624	4.3
125.48598	1.6
128.06189	3.2
129.07008	23.8
131.08554	24.8
133.06464	6.2
133.10138	21.9
135.08069	5.0
135.11685	3.2
137.05980	4.3
137.09596	3.1
141.06976	1.8
142.07784	7.8
143.08577	6.2
145.06540	1.7
145.10104	9.8
147.08047	6.3
147.11681	29.4
149.09634	12.7
151.07533	2.8
153.05467	1.6
155.08524	4.8
157.10143	23.1
159.08032	2.9
159.11726	3.8
161.09688	1.9
163.11134	2.5
165.12758	7.4
167.06947	2.1
167.08481	2.3
169.10162	4.1
171.08118	2.7
171.11708	2.6
173.09686	4.2
175.11166	24.6
179.08618	2.4
181.04944	3.6
181.10147	3.4
183.11699	3.2
187.11253	2.6
187.84552	1.5
189.09135	3.9
189.11163	1.5
191.14377	2.0
193.10329	3.4
193.12233	87.5
194.12567	2.4
195.06491	9.4
195.11729	2.6
197.09610	2.5
197.13141	1.6
199.11211	4.0
203.10689	2.1
206.10760	2.0
207.11752	2.5
209.08023	3.9
209.13306	3.3
210.10307	2.3
211.11342	4.2
211.13286	97.4
213.12770	2.3
219.11852	2.8
219.13692	3.0
221.13280	6.3
223.09457	3.4
223.14832	3.0
225.12744	3.0
233.13251	2.9
235.14824	1.7
237.11069	7.5
239.10681	1.9
241.12262	2.9
243.11688	2.1
249.11093	2.7
259.15033	4.3
265.12067	2.2
267.15991	6.2
277.15857	2.4
285.17065	2.9
291.13660	2.2
293.17767	2.3
309.18555	5.1
319.16901	3.4
375.25439	3.5
385.23822	1.8
403.24188	2.0
413.24774	4.0
417.24136	2.7
429.29590	2.0
431.25858	2.0
435.25787	2.1
441.24023	5.7
441.29739	2.4
459.25345	6.3
459.31088	10.0
477.26563	6.8
477.32895	13.4
481.24356	1.7
495.18634	2.8
495.29382	69.2
496.30154	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3317
Annotation	Makisterone B
Peak:m/z	Relative Intensity
55.01868	8.6
55.05506	25.7
56.05564	2.1
57.03456	8.0
57.07080	11.0
58.09323	1.7
61.30389	1.9
65.03938	4.3
67.05505	42.3
69.03451	6.1
69.07070	20.8
70.57784	5.2
71.05007	6.1
79.05492	32.8
79.05910	2.7
81.03449	6.5
81.07060	59.8
83.01363	3.9
83.04981	9.9
83.08613	10.5
85.02924	2.8
85.06544	39.2
85.07006	2.8
86.06937	1.6
91.05479	28.8
91.06003	2.1
93.07048	40.2
95.04971	17.1
95.08605	40.7
95.09158	2.7
97.06562	6.2
97.10203	7.2
99.00822	11.8
99.04498	4.6
99.08103	3.1
101.77509	1.6
105.07035	19.4
105.07668	2.0
105.69451	1.5
107.04943	19.6
107.08587	24.1
109.02917	2.1
109.06520	35.3
109.07219	2.0
109.10155	22.9
111.04473	5.9
111.08079	3.9
113.02371	2.3
113.63921	1.9
114.09220	3.2
115.05479	2.2
117.07066	6.4
119.08583	10.9
121.06514	18.8
121.10146	19.1
123.08112	6.4
123.11758	7.7
125.06007	3.8
125.09671	6.3
126.67816	1.7
127.33477	1.7
128.06242	2.5
129.07031	4.9
131.08575	15.1
133.06543	5.7
133.10146	10.1
135.04459	2.8
135.08076	14.7
135.11732	10.0
135.76083	1.6
137.06009	7.3
137.09669	3.2
137.13351	2.9
139.03903	2.3
139.07594	3.6
139.11232	4.9
141.07027	1.9
143.08603	5.9
145.06519	3.2
145.10165	9.0
147.08121	4.5
147.11717	5.3
149.05984	2.5
149.09654	6.0
149.13313	5.4
151.07619	6.2
153.05531	3.4
153.09102	1.6
155.07173	3.6
155.08598	5.3
156.09312	2.3
157.10190	5.1
159.08057	5.1
159.11691	4.0
161.05989	3.3
161.09689	6.4
163.03928	3.8
163.07597	3.1
163.11272	4.5
163.14891	2.3
165.07071	3.5
167.07214	1.9
167.08583	2.1
169.10080	4.3
171.08163	5.0
171.11803	3.9
173.09734	4.6
173.13271	2.3
175.07613	6.3
175.11238	5.2
177.05527	13.8
177.09210	3.4
177.12749	2.3
177.16374	2.0
179.08661	3.0
179.10669	3.3
181.04964	18.8
181.10156	3.7
183.06584	8.0
183.11824	5.6
185.09662	3.0
187.07631	2.2
189.09129	22.7
189.11035	2.4
191.07149	4.0
191.10722	3.0
191.14394	5.2
193.10387	3.7
193.12350	5.7
195.06532	44.8
195.11757	2.6
197.09718	3.0
199.11256	3.5
201.12810	4.4
203.10646	4.3
205.10289	2.3
205.12268	2.7
207.06546	2.6
207.11778	5.6
209.08087	16.3
211.11391	2.0
211.13304	2.4
213.09198	1.8
213.12822	4.6
215.10617	2.3
217.12181	1.8
219.13774	17.4
221.08173	2.5
221.13414	2.4
223.09621	28.1
223.11484	2.8
225.12878	2.2
233.13289	2.9
235.09660	3.5
235.14836	2.1
237.11169	34.9
238.11581	2.2
239.14212	2.3
243.13863	1.8
249.11165	20.9
251.12959	5.2
257.15619	2.3
259.15302	11.1
260.15729	2.5
263.12735	4.0
273.15198	2.0
277.14505	2.3
289.14624	1.8
291.16095	4.1
293.17490	10.2
303.16125	1.7
305.17587	4.8
307.19269	3.8
317.17545	6.5
325.18079	1.9
338.30640	1.9
349.21600	3.2
359.22238	2.1
367.22879	6.3
375.25253	22.3
385.23849	7.2
403.24826	5.1
429.30350	2.1
431.26758	1.8
441.30136	8.0
459.31113	100.0
460.31927	8.9
477.32382	57.6
478.32803	4.2
495.27097	7.3
495.33170	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3315
Annotation	Makisterone B
Peak:m/z	Relative Intensity
55.01870	4.4
55.05511	25.0
57.03439	7.4
57.07080	8.2
65.03944	4.5
66.23721	1.7
67.05504	45.3
68.05846	2.1
69.03432	8.4
69.07074	27.7
69.93984	6.3
71.04979	4.0
79.05495	37.1
81.03418	31.1
81.07056	80.1
82.07404	1.9
83.01334	3.0
83.04982	10.9
83.08622	19.0
85.02914	14.3
85.06541	34.8
91.05485	29.4
93.07039	37.7
95.01334	2.5
95.04967	18.5
95.08610	43.4
97.02927	2.1
97.06528	9.3
97.10173	4.6
99.00819	17.8
99.04442	9.2
99.08116	2.0
105.07040	24.9
107.04967	4.8
107.08591	27.5
109.02888	2.4
109.06533	13.1
109.10158	19.4
111.04449	4.1
111.08077	9.1
113.02393	4.4
115.05422	2.6
117.07020	6.0
119.08581	17.8
121.06544	6.3
121.10144	14.7
123.04462	3.8
123.08069	7.8
123.11699	10.8
125.06005	3.4
125.09661	3.7
127.03860	1.5
129.07024	6.8
131.08566	11.4
133.06511	4.0
133.10129	11.6
135.04424	2.2
135.08080	6.2
135.11717	7.9
137.05978	19.3
137.09598	3.2
137.13268	3.6
139.07574	5.0
142.07814	3.4
143.08582	4.8
145.06520	2.3
145.10141	6.8
147.08075	4.0
147.11757	11.1
149.05980	6.9
149.09657	7.7
149.13278	7.2
151.07587	7.5
153.05486	7.3
155.07036	3.0
155.08551	3.3
157.10107	10.8
159.08058	2.6
159.11653	1.8
161.06020	3.4
161.09610	4.6
163.03896	2.4
163.07536	4.0
163.11188	2.0
165.06956	2.1
165.09122	4.3
165.12845	1.9
167.06985	3.9
169.10072	2.2
171.08028	3.9
171.11719	2.5
173.09671	2.3
175.07559	6.3
175.11148	13.8
177.05515	14.3
177.09126	5.3
179.10686	2.7
181.04962	23.6
183.06525	10.7
183.11728	2.1
185.09570	2.6
187.07611	2.0
187.11290	1.9
189.09111	31.5
189.10864	1.9
189.12788	2.4
190.09201	1.6
191.07063	3.7
191.10670	3.5
193.10457	2.3
193.12253	30.6
195.06528	53.6
195.11739	2.2
201.09100	2.1
203.10689	6.1
205.08679	3.9
207.06635	4.2
209.08092	21.3
211.11342	1.9
211.13283	29.3
211.15129	2.3
217.08653	2.4
217.12230	2.1
219.10107	1.9
219.13751	2.4
221.07985	3.0
223.09619	33.2
223.11528	2.6
224.09984	2.1
227.10622	2.1
235.09514	3.7
237.11171	36.4
238.11578	2.5
245.15332	2.3
249.11208	26.8
251.12863	7.1
263.12833	8.0
267.16089	3.0
277.14413	2.9
291.10580	1.7
291.15930	6.1
293.17468	3.6
303.15845	2.8
305.17462	6.5
307.19031	2.3
317.17505	4.9
319.19104	3.8
331.19019	1.9
333.20645	2.2
359.22202	2.2
361.23666	3.8
375.25284	18.4
385.23624	3.5
417.16568	4.4
429.29990	4.8
431.18674	2.8
435.17331	2.9
441.29926	13.0
442.30185	1.8
449.19583	7.3
459.31082	96.6
460.31296	14.0
477.19269	3.7
477.32208	100.0
478.32578	9.2
495.18765	10.1
495.29065	7.4
495.32962	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	25.7
57.03442	4.4
57.07077	7.9
58.12609	2.3
65.03932	6.3
67.05165	4.2
67.05504	39.8
68.99815	2.3
69.03435	18.3
69.07072	24.7
71.04986	7.3
79.05493	39.8
81.03414	14.2
81.07057	100.0
83.01362	5.0
83.04985	14.2
83.08631	10.7
85.02913	12.3
85.06532	15.7
88.56166	2.0
91.04915	1.7
91.05479	35.8
91.23265	2.1
93.07042	43.6
95.01329	2.3
95.04967	23.3
95.08604	46.8
97.02893	4.7
97.06539	8.5
97.10165	5.8
98.23344	5.5
99.00829	11.0
99.04459	8.5
99.08086	3.7
103.05430	4.0
105.07040	32.5
107.04963	6.7
107.08599	35.5
109.02873	2.9
109.06526	29.7
109.10153	21.7
111.04446	8.6
111.08044	10.1
113.02388	5.0
113.06025	2.7
115.05435	3.9
117.07028	12.8
119.04909	3.7
119.08598	21.9
121.05768	2.2
121.06475	12.9
121.10137	17.6
123.08032	10.6
123.11707	9.1
125.06012	6.5
125.09612	5.3
128.06236	5.9
129.07027	12.0
130.49077	2.2
131.04919	6.1
131.08578	13.8
133.06508	6.1
133.10114	11.6
135.04433	9.9
135.08057	9.9
135.11678	8.9
137.05972	52.0
137.09581	4.3
139.07510	8.6
141.02151	2.4
141.06982	7.7
142.07803	6.5
143.08519	14.6
145.06468	9.2
145.10141	15.3
147.04323	2.6
147.08046	9.6
147.11693	11.7
149.06020	5.4
149.09634	8.2
149.13266	9.1
151.07526	14.1
152.06139	2.2
153.01826	2.8
153.05492	14.4
153.06873	2.5
154.07762	3.3
155.07069	3.0
155.08553	11.0
157.06546	2.7
157.10124	11.6
158.07303	4.0
159.08069	14.7
159.11710	6.5
161.05969	7.1
161.09595	17.5
161.13205	2.6
163.03848	3.9
163.06180	2.0
163.07578	7.6
163.11232	5.9
165.05481	3.2
165.06984	4.8
165.09145	6.9
165.12794	2.4
166.07814	2.5
167.07010	7.6
167.08578	7.5
168.03224	2.2
169.10115	11.9
171.08069	14.1
171.11717	7.5
172.08771	3.7
173.05986	4.0
173.09607	14.1
173.13191	5.0
175.07518	15.1
175.11237	9.2
177.05431	13.8
177.09128	7.2
178.07787	2.3
179.08546	6.3
179.10646	4.0
181.05011	18.6
181.10117	9.0
183.06482	6.2
183.08009	2.5
183.11685	5.8
184.08916	2.5
185.09677	10.9
185.13234	6.7
187.07582	7.8
187.11156	10.2
187.14774	2.7
189.09116	33.5
189.12674	3.8
191.06979	5.7
191.10687	7.7
193.08690	4.4
193.10167	7.9
193.12265	13.2
194.09277	4.0
194.10951	3.0
195.06526	38.1
195.08124	4.8
195.11650	7.2
197.09628	8.6
197.13226	8.3
199.05939	2.6
199.11130	5.9
201.09213	6.4
201.12810	3.9
203.08951	2.9
203.10609	11.8
205.08525	3.7
205.10336	2.6
205.12231	4.9
207.10027	3.5
207.11742	7.4
209.07996	16.5
209.09241	2.7
209.09824	4.6
209.13245	6.8
211.11137	8.4
211.13283	8.1
213.09131	6.9
213.12726	5.9
215.10635	7.1
217.04979	3.6
217.08571	3.4
217.12184	2.7
219.06529	8.8
219.11847	3.5
221.13271	7.2
223.09439	25.5
223.11243	5.9
223.14694	2.6
225.09171	6.0
225.12709	5.0
227.10744	4.6
227.14374	4.0
229.12157	2.9
233.13315	5.5
235.09459	4.1
235.11453	2.9
235.14787	4.8
236.12068	2.9
237.11063	29.2
239.14334	3.3
241.08586	3.9
241.12201	3.0
247.11345	4.6
247.14931	3.9
249.11009	18.4
251.10469	5.1
251.12752	4.8
253.12283	9.7
253.15851	2.7
259.09763	4.1
259.14951	4.4
261.11227	2.8
265.12143	5.8
267.13568	4.8
269.11597	2.3
271.09671	2.8
271.17047	3.2
273.03979	2.8
277.12082	3.6
279.17545	2.2
281.11670	2.9
283.13470	3.0
287.09256	3.8
289.15161	2.6
293.11887	2.9
293.17892	3.1
295.13364	3.2
297.22134	3.5
301.03137	2.3
305.17847	3.5
311.12735	3.7
312.13614	5.4
313.14359	5.3
315.23090	6.5
321.18579	3.8
327.04852	3.2
340.13242	4.1
341.13757	9.7
347.16406	3.4
347.20285	3.6
363.19598	3.7
365.17273	3.6
375.20200	3.1
375.25232	8.3
381.20779	3.9
385.18127	3.7
385.23795	9.2
393.16730	5.2
403.19525	4.8
403.24680	38.7
404.25119	5.3
405.20850	4.7
413.17444	4.2
417.24066	5.0
421.16104	6.9
421.20505	6.0
421.25537	5.2
423.21884	7.1
431.18527	24.0
431.25998	5.9
433.19925	5.8
433.27365	3.8
435.25394	6.4
441.24615	4.2
441.30029	19.4
449.19647	46.4
449.26279	5.0
450.20023	6.1
451.20941	5.3
451.28329	2.6
459.18494	4.3
459.25381	13.5
459.30978	70.3
460.31229	6.8
467.20676	5.4
477.19202	37.1
477.26163	13.3
477.32300	46.1
478.19479	5.8
478.26169	2.7
478.32474	3.1
482.76740	2.2
495.12836	14.1
495.20029	41.5
495.27512	13.9
495.32999	20.4
496.20306	6.1
496.33560	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
53.82948	1.0
55.05511	4.1
57.07089	1.3
67.05505	9.9
69.03434	2.8
69.07070	2.8
71.05005	1.7
71.30705	1.3
71.31075	1.0
78.65282	0.8
79.05490	4.0
81.03429	2.6
81.07060	11.2
83.04980	2.4
85.06530	1.4
85.18517	0.8
91.05489	4.4
91.17458	1.0
93.07037	7.7
95.04969	2.9
95.08604	14.7
97.06515	1.5
99.08102	0.9
101.06038	1.7
103.05444	0.8
105.07030	6.0
107.05000	1.2
107.08570	5.0
108.05778	0.9
109.02935	1.1
109.06520	4.0
109.10179	5.9
111.04460	1.9
111.08083	1.3
113.09658	0.9
117.06994	1.8
119.08579	4.7
121.06515	1.7
121.10147	4.0
123.04417	1.0
123.08076	11.8
123.11701	2.1
125.09619	1.4
127.03923	1.0
129.07004	1.0
131.08583	3.6
133.03923	1.1
133.10123	2.9
135.08051	3.1
135.11708	1.8
137.05972	2.8
143.08575	1.9
145.06531	1.3
145.10114	2.6
147.08041	1.2
147.11673	1.4
149.09624	1.8
149.13295	2.8
151.07542	100.0
152.07904	4.8
155.08530	1.9
157.10126	1.9
159.08081	1.9
159.11693	1.3
161.09627	2.4
163.11255	1.6
165.05534	1.2
165.09114	2.3
167.07123	1.7
167.08530	1.0
169.10153	1.8
173.09659	1.8
175.07564	1.2
175.11214	3.0
175.14937	1.2
177.09081	6.0
179.08640	1.5
181.10146	1.0
183.08093	1.3
185.09657	1.7
187.11226	1.1
189.09117	1.4
189.12794	2.1
191.10672	22.5
192.10976	1.9
195.11697	1.5
199.11366	1.3
201.09004	1.6
203.10808	1.0
205.12221	8.5
207.11752	1.1
209.13268	1.3
217.12204	1.2
251.14355	1.0
277.15869	1.0
287.20193	1.5
317.21097	1.1
321.24393	1.1
323.16507	2.4
341.17615	1.3
413.30527	2.2
441.29822	1.3
459.25504	1.2
459.31058	2.7
477.26498	4.5
487.03156	1.1
495.18512	2.0
495.25696	12.9
496.26245	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	13.2
55.69030	1.8
57.07072	4.8
67.05502	11.8
69.07063	14.8
71.08633	7.4
72.42870	2.1
79.05505	6.2
81.07073	16.3
83.04990	4.9
83.08627	9.8
91.05470	8.4
93.07037	12.9
94.02034	2.0
95.08609	20.7
97.06498	3.3
97.10190	6.0
99.93120	2.2
105.03373	4.2
105.07043	7.2
107.08595	12.4
109.06505	5.8
109.10155	10.3
117.07024	2.8
119.08572	7.4
121.06522	3.8
121.10134	5.9
123.08093	2.7
123.11700	6.2
125.05997	4.1
129.07054	2.2
131.08592	3.6
133.10112	5.7
135.08044	4.3
135.11691	2.0
137.05972	22.4
137.13245	3.0
138.06731	7.5
139.03928	3.2
141.05460	2.1
141.06895	1.9
143.08536	3.5
145.10110	8.0
147.08014	3.1
147.11707	3.9
148.73660	2.5
149.05963	2.6
149.13422	2.8
151.07555	9.0
153.05492	11.1
153.09100	5.8
154.06187	2.1
157.10126	4.3
159.11699	5.0
161.09494	2.5
161.13280	2.8
165.05470	22.1
165.65172	1.9
166.06242	16.6
167.07040	14.2
168.07835	2.3
169.10139	2.2
171.11694	3.1
173.09586	2.8
173.13226	2.3
179.07024	30.4
180.07816	59.6
181.08597	100.0
183.06471	2.5
183.11707	2.4
185.13260	3.5
189.09169	4.7
193.08420	2.4
195.06500	4.4
217.15823	2.7
219.10092	2.0
221.11801	5.7
227.14510	1.9
239.14207	2.4
257.15247	2.2
337.95709	2.0
429.33917	4.2
444.36002	45.9
445.36624	3.1
459.34317	2.2
462.37030	86.0
463.37198	9.2
477.26587	3.9
495.34076	54.8
496.33093	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	13.2
55.69030	1.8
57.07072	4.8
67.05502	11.8
69.07063	14.8
71.08633	7.4
72.42870	2.1
79.05505	6.2
81.07073	16.3
83.04990	4.9
83.08627	9.8
91.05470	8.4
93.07037	12.9
94.02034	2.0
95.08609	20.7
97.06498	3.3
97.10190	6.0
99.93120	2.2
105.03373	4.2
105.07043	7.2
107.08595	12.4
109.06505	5.8
109.10155	10.3
117.07024	2.8
119.08572	7.4
121.06522	3.8
121.10134	5.9
123.08093	2.7
123.11700	6.2
125.05997	4.1
129.07054	2.2
131.08592	3.6
133.10112	5.7
135.08044	4.3
135.11691	2.0
137.05972	22.4
137.13245	3.0
138.06731	7.5
139.03928	3.2
141.05460	2.1
141.06895	1.9
143.08536	3.5
145.10110	8.0
147.08014	3.1
147.11707	3.9
148.73660	2.5
149.05963	2.6
149.13422	2.8
151.07555	9.0
153.05492	11.1
153.09100	5.8
154.06187	2.1
157.10126	4.3
159.11699	5.0
161.09494	2.5
161.13280	2.8
165.05470	22.1
165.65172	1.9
166.06242	16.6
167.07040	14.2
168.07835	2.3
169.10139	2.2
171.11694	3.1
173.09586	2.8
173.13226	2.3
179.07024	30.4
180.07816	59.6
181.08597	100.0
183.06471	2.5
183.11707	2.4
185.13260	3.5
189.09169	4.7
193.08420	2.4
195.06500	4.4
217.15823	2.7
219.10092	2.0
221.11801	5.7
227.14510	1.9
239.14207	2.4
257.15247	2.2
337.95709	2.0
429.33917	4.2
444.36002	45.9
445.36624	3.1
459.34317	2.2
462.37030	86.0
463.37198	9.2
477.26587	3.9
495.34076	54.8
496.33093	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.8
55.01881	2.2
57.03444	4.9
61.02935	7.2
69.03432	17.3
69.80642	5.9
71.05003	2.3
73.02927	3.6
81.03424	9.3
85.02910	100.0
87.04488	3.0
89.63667	1.8
91.03973	5.2
96.02135	2.0
97.02896	24.4
98.06096	1.6
98.22707	2.2
99.04456	3.1
109.02904	9.8
111.04449	3.2
114.07320	1.7
127.03920	25.8
136.06160	2.5
136.34605	1.5
137.02339	67.8
137.05992	4.2
137.28360	2.0
138.02705	2.1
140.07060	2.1
140.42555	1.8
145.04965	46.1
148.84824	1.5
155.03400	81.7
156.03838	2.1
156.97508	1.9
158.08170	4.4
160.07585	55.3
161.07918	3.8
163.04010	1.7
163.06036	12.3
177.10248	6.1
198.98520	3.6
209.63608	1.3
275.01718	2.9
305.02539	1.7
335.03714	4.3
404.18011	1.5
423.15149	1.4
449.06137	3.1
460.30750	1.5
474.95255	1.7
497.08966	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	8.3
59.04992	4.2
69.03428	15.6
69.46314	9.5
71.01361	2.0
73.02912	4.5
73.66557	1.7
81.03404	3.5
81.07066	1.7
83.04951	2.0
85.02908	16.0
85.26237	1.5
87.04458	7.1
93.07071	1.9
97.02881	12.9
97.06538	1.7
98.22551	1.8
100.12628	1.4
107.08593	4.5
109.02888	2.1
109.06513	25.0
110.03673	7.5
111.04482	2.7
115.03928	10.7
119.04871	1.9
121.10133	5.6
123.04391	1.6
123.08054	4.5
125.05980	23.2
125.09624	15.7
127.03906	4.4
133.04974	10.0
137.05966	6.7
139.03897	6.3
139.11177	6.1
147.04424	3.0
149.09647	4.8
150.07675	2.8
151.03928	3.3
153.05466	44.5
154.06248	11.3
163.03932	7.3
165.05481	1.7
167.07002	4.7
167.10678	36.4
170.05737	8.4
174.93169	1.6
178.06204	3.4
179.03401	2.1
179.07036	2.8
182.05716	3.5
185.08095	100.0
185.11696	35.2
186.08534	3.5
186.12029	2.3
192.07663	2.1
193.04973	5.4
194.05737	10.0
197.08130	9.2
209.08076	17.4
221.08057	2.0
227.09131	11.3
251.09190	4.4
263.09015	4.9
281.10284	11.1
317.10214	3.0
335.11136	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.2
55.05507	1.8
57.03436	6.5
59.05000	3.5
59.73837	1.2
60.04536	1.4
61.02921	2.0
67.05502	2.2
69.03429	13.5
71.30292	2.1
73.02910	3.4
75.04454	1.7
81.07052	2.4
81.74431	1.4
85.02909	11.6
86.57890	1.6
87.04479	6.1
91.05518	3.5
93.07057	1.6
95.01250	1.4
95.08636	2.5
97.02895	11.2
97.06490	1.4
100.73552	1.3
105.07063	1.6
107.04948	1.9
107.08627	4.4
109.06517	24.5
110.03674	4.8
115.03929	9.4
119.04961	2.1
121.10136	4.9
123.04419	1.6
123.08096	4.7
125.05997	20.6
125.09629	13.7
127.03893	2.5
133.02916	1.7
133.04935	9.4
137.05992	9.2
139.03917	6.2
139.11176	6.9
144.08043	1.7
145.04976	1.5
147.04404	3.1
149.09615	6.3
150.81940	1.5
151.03949	4.2
153.05473	41.1
154.06253	13.4
155.07060	1.5
163.03947	5.1
165.05495	1.7
166.06238	2.8
167.07068	6.3
167.10690	41.0
170.05710	6.8
177.05489	1.8
178.06262	5.8
179.06914	1.7
182.05835	3.4
185.08096	100.0
185.11697	38.0
186.08527	2.1
191.07005	1.6
193.04993	6.2
194.05760	6.6
195.06500	2.2
197.08102	7.3
203.07132	1.8
209.08073	16.8
211.05957	1.6
223.28696	1.4
227.09158	10.8
251.09151	3.2
263.09146	3.4
281.10226	9.1
300.09744	1.5
300.60068	1.3
311.11252	1.5
317.10052	3.2
335.11221	2.4
342.76184	1.5
360.45517	1.6
382.43030	1.6
391.44485	1.4
405.13519	1.5
447.43420	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.5
53.03940	0.4
63.91074	0.3
71.28450	0.3
77.03915	0.7
78.44891	0.3
79.05492	3.9
85.02901	0.6
85.37626	0.3
95.04971	0.7
95.38700	0.3
103.05476	2.8
105.07028	100.0
105.62308	0.3
106.07357	2.5
107.04982	0.5
122.09665	44.3
123.10000	1.1
125.05965	1.3
127.03951	0.5
132.68579	0.4
135.04443	0.5
137.05972	0.4
151.03937	2.0
163.03883	1.2
165.05501	0.7
167.07011	1.2
177.05493	0.6
179.90891	0.3
195.06375	0.4
213.07574	4.5
295.06009	0.4
371.32623	0.3
376.31494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06137	1.6
55.01863	4.0
57.03443	6.2
57.80793	1.6
59.04996	2.2
61.02929	2.8
61.22002	1.9
69.03435	8.7
69.07075	4.5
71.04983	10.7
73.02934	9.9
79.05502	2.9
81.07068	7.7
83.04982	1.8
83.99923	1.5
85.02903	16.2
85.06065	3.7
85.06547	37.5
93.07033	2.8
95.08626	2.1
97.02886	12.1
97.06532	15.6
107.08626	3.7
109.02913	2.8
109.06538	8.1
111.11662	1.8
113.06012	36.6
115.03967	6.0
115.07559	1.7
117.36385	1.4
121.10144	17.5
123.08057	1.9
123.11736	2.6
125.06020	4.2
125.09676	3.2
127.03861	2.1
127.07568	13.3
127.68894	1.6
132.06540	1.7
133.04985	5.7
139.11208	8.1
145.04979	3.8
149.09654	7.3
153.05495	6.4
154.06245	2.3
167.10686	100.0
168.11081	2.5
170.05708	2.3
185.08124	19.1
185.11739	30.7
209.08195	2.7
248.28050	1.9
447.91974	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06137	1.6
55.01863	4.0
57.03443	6.2
57.80793	1.6
59.04996	2.2
61.02929	2.8
61.22002	1.9
69.03435	8.7
69.07075	4.5
71.04983	10.7
73.02934	9.9
79.05502	2.9
81.07068	7.7
83.04982	1.8
83.99923	1.5
85.02903	16.2
85.06065	3.7
85.06547	37.5
93.07033	2.8
95.08626	2.1
97.02886	12.1
97.06532	15.6
107.08626	3.7
109.02913	2.8
109.06538	8.1
111.11662	1.8
113.06012	36.6
115.03967	6.0
115.07559	1.7
117.36385	1.4
121.10144	17.5
123.08057	1.9
123.11736	2.6
125.06020	4.2
125.09676	3.2
127.03861	2.1
127.07568	13.3
127.68894	1.6
132.06540	1.7
133.04985	5.7
139.11208	8.1
145.04979	3.8
149.09654	7.3
153.05495	6.4
154.06245	2.3
167.10686	100.0
168.11081	2.5
170.05708	2.3
185.08124	19.1
185.11739	30.7
209.08195	2.7
248.28050	1.9
447.91974	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01876	7.4
55.05508	2.2
57.03436	7.1
61.02916	2.8
67.05495	1.3
67.09814	0.9
69.03432	8.7
69.07057	2.2
70.83009	1.4
70.83310	1.3
71.01365	1.4
71.04994	1.3
73.02907	11.0
75.04464	2.7
79.05490	3.6
81.03413	3.1
81.07047	10.6
83.08616	3.4
85.02899	19.1
85.06535	1.1
87.04446	2.6
91.05474	14.9
93.07040	100.0
95.04958	3.9
95.08625	1.4
97.02888	12.3
99.04444	1.5
105.04527	1.8
105.07058	3.3
107.08595	57.3
108.08895	1.4
109.02868	1.7
109.06493	3.4
111.08078	70.0
112.13766	1.0
115.03932	6.0
121.10139	18.3
123.08083	4.5
123.11669	2.1
127.03922	3.4
133.04985	8.6
135.11639	1.1
136.92030	1.0
137.05971	1.6
139.11179	12.3
145.04951	4.1
149.09612	9.7
151.64966	1.0
152.60722	1.0
153.12741	4.9
163.06097	1.4
167.10677	52.0
184.75032	1.0
185.11729	75.9
186.12044	2.4
246.78836	1.2
334.06387	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01873	1.9
55.05516	2.5
56.42976	1.2
57.03432	4.7
57.07067	1.3
61.02927	1.3
67.05505	4.8
69.03426	6.8
69.07064	3.0
70.30942	2.0
70.31333	1.6
71.04996	12.5
73.02925	5.2
73.06561	1.5
79.05493	2.0
81.03426	1.6
81.07059	13.1
81.32871	0.8
82.07382	1.1
83.08617	3.7
85.02905	16.8
85.06568	1.1
86.50851	0.9
91.05468	2.1
93.07038	9.1
95.08605	24.8
97.02900	9.9
97.06522	1.0
99.04434	1.3
105.07040	1.7
107.08590	8.9
109.02876	1.3
109.06471	1.1
109.10164	5.8
111.08092	1.8
115.03916	4.4
121.10135	6.5
123.11703	2.8
125.09624	1.2
127.03917	4.8
133.04936	4.9
136.07637	1.1
137.05959	1.2
137.13266	1.3
145.04967	6.7
149.13255	16.1
150.13603	1.5
151.07547	1.1
163.06052	2.5
165.09079	1.0
167.10686	2.4
167.14317	100.0
168.14671	3.2
185.11728	2.7
185.13867	0.9
185.15392	3.6
187.41505	1.0
223.05962	1.0
244.09528	1.8
278.77545	1.0
496.18701	10.2
497.45151	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79841	1.4
53.03949	2.8
54.53122	1.6
55.01864	4.6
55.05510	4.4
57.03430	5.5
59.05000	3.0
61.02921	4.8
67.05505	5.1
69.03423	8.8
69.07068	4.5
71.04995	31.7
71.29079	2.2
73.02915	8.9
73.06556	3.7
79.05479	8.0
81.03444	2.4
81.07063	24.1
83.04980	5.9
85.02907	39.5
85.06551	1.8
91.05480	6.5
93.07045	30.5
93.10453	1.4
95.08601	5.3
97.02903	8.8
97.06538	2.7
99.04462	2.1
105.07035	3.4
107.08590	24.5
109.06516	2.9
109.10168	5.9
111.04433	5.0
111.08059	10.2
115.03932	6.4
121.10103	9.5
127.03918	10.7
129.05493	11.7
133.04984	5.3
133.10194	2.0
135.11700	19.6
137.05983	7.3
139.11169	4.2
145.04977	6.2
145.10172	1.9
147.06528	6.7
147.11700	2.1
149.09613	3.8
149.13318	2.5
150.05461	2.0
151.07526	2.6
153.12746	100.0
154.13107	4.4
167.10690	14.6
167.14258	2.4
177.05388	1.9
185.11749	20.4
195.10162	2.1
273.09512	1.7
339.59430	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01871	3.0
55.05515	5.5
57.03432	4.1
57.07080	2.7
61.02920	1.9
67.05506	4.7
69.03440	6.3
69.07072	4.5
70.58749	1.7
71.01366	1.2
71.04995	13.8
73.02928	6.3
73.06550	2.3
76.96589	0.8
79.05482	2.0
79.61940	0.7
81.03417	1.8
81.07047	4.9
81.80656	0.7
83.04994	1.6
83.08617	5.5
85.02906	15.5
85.06549	1.9
87.04452	0.7
88.21766	0.8
91.05458	1.9
93.07031	8.8
93.41650	0.8
95.08613	28.8
97.02902	8.8
97.06532	1.1
97.10183	0.9
99.86486	0.8
100.11253	5.3
105.06998	1.6
107.08598	11.9
109.02895	1.5
109.10162	6.9
111.04474	0.9
111.08085	2.1
115.03918	4.1
119.08562	0.9
121.10126	4.8
123.11720	3.2
125.09688	1.5
127.03905	5.0
128.07109	0.9
129.05553	0.8
133.04965	6.5
133.10158	1.4
137.06053	1.6
139.11150	0.8
145.05006	4.6
149.13261	21.4
151.07536	1.1
159.11668	0.9
163.06064	2.4
167.14323	100.0
168.14626	3.7
168.17519	1.5
182.15434	2.1
185.11778	1.6
185.15443	1.2
210.14879	3.1
241.07100	1.1
259.08255	1.1
268.20535	1.0
310.75888	1.5
316.09042	0.8
321.78262	0.8
496.18695	5.1
496.24847	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	20.0
55.44046	8.3
56.01801	8.9
67.05510	24.9
69.19281	87.1
76.73338	9.2
79.05528	10.9
81.07056	17.3
83.04980	27.3
91.05474	13.0
92.37953	8.2
93.07024	13.6
95.08597	38.7
98.23335	22.0
104.10736	10.8
105.06972	16.0
107.08605	12.2
119.08556	17.7
121.10126	12.7
131.08591	19.6
133.10127	18.1
139.07559	10.5
145.10162	20.3
155.08618	27.5
157.10162	22.3
159.11719	9.7
161.09604	11.7
167.08530	17.5
169.10147	33.0
171.11703	18.6
179.08559	13.1
181.10155	26.3
185.13194	10.1
197.09679	12.5
197.13301	14.6
206.10957	16.5
207.11801	12.6
209.13248	22.9
219.11760	11.6
221.13249	12.4
223.14822	11.3
233.13365	9.7
234.13811	10.7
237.12668	11.7
237.16168	9.2
339.19293	15.0
415.26404	59.9
433.27359	30.9
435.28915	43.3
443.25848	60.0
461.26932	39.9
479.27783	100.0
496.34082	12.4
510.99600	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.1
59.08630	4.5
65.28694	4.5
66.96731	4.3
67.05512	13.0
69.07060	5.0
71.32261	4.4
79.05511	10.9
81.07069	10.6
83.04987	15.6
88.12687	4.7
91.05493	12.1
93.07063	16.7
95.04978	9.3
95.08608	34.8
105.07047	18.1
107.08607	15.0
109.06519	4.3
111.08086	10.3
117.07003	6.0
119.08591	18.7
121.06499	4.6
121.10165	5.4
123.08072	10.7
129.07063	8.5
131.08554	13.8
132.37845	4.5
133.10132	12.0
135.08096	5.9
135.11710	4.8
139.07553	7.8
141.07037	4.7
142.07851	5.4
143.08563	17.5
145.10127	14.3
149.09677	5.9
155.08580	9.4
156.09395	7.2
157.10162	21.4
159.11665	12.2
161.09644	13.8
165.07022	5.0
167.08430	4.5
168.09399	4.6
169.10161	10.8
171.11722	11.7
175.11290	5.6
179.08585	8.6
181.10135	13.1
183.11690	17.5
187.11154	7.1
192.09328	5.9
193.10158	18.5
195.11737	18.2
197.13188	5.3
199.11169	7.9
205.10091	11.6
206.10881	8.9
207.11716	18.5
208.12383	6.7
209.13239	11.1
219.11716	19.1
220.12454	10.2
221.13261	18.3
223.11269	8.3
223.14905	7.2
225.12671	9.1
231.11761	5.5
232.12491	5.6
233.13272	13.0
234.14000	5.6
235.11237	7.2
235.14865	20.0
237.12790	10.6
237.16409	11.1
246.14156	8.7
247.14944	6.7
249.12711	5.7
249.16451	11.6
251.14145	6.6
259.14795	9.1
261.12915	6.5
261.16428	18.6
263.18085	9.5
275.17987	9.1
277.15939	9.3
277.19345	5.5
279.14038	6.1
279.17322	9.3
295.17041	9.9
297.18591	7.4
303.17401	11.7
321.18561	23.8
322.18872	6.6
339.19778	5.6
341.21149	6.8
391.36957	4.6
401.24982	9.7
415.26151	7.4
417.24014	7.6
419.25867	5.3
433.27161	10.0
435.25089	23.8
443.25766	19.3
450.27521	11.9
461.26852	100.0
462.27097	11.4
478.26874	6.8
479.28043	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35458	4.6
52.74879	5.0
54.52427	4.3
55.05503	5.0
69.04804	43.0
69.05205	9.1
70.95103	5.6
79.05509	5.3
83.04984	18.4
91.05527	7.4
93.07076	6.0
95.08608	11.2
105.06998	6.2
107.08591	6.7
111.04479	9.8
119.08630	12.9
129.07022	7.1
131.08696	5.4
133.10168	5.9
139.07498	5.8
143.08592	7.3
143.43069	5.7
155.08589	18.0
157.10147	23.1
171.11674	11.6
183.11673	7.0
195.11765	7.9
207.11696	12.3
209.13365	13.2
217.12279	17.1
219.11681	10.4
221.13275	7.4
233.13409	6.1
235.14836	6.1
246.14099	8.9
247.14966	6.0
260.15793	5.8
261.16425	12.4
275.17984	5.5
279.31561	4.7
289.19485	8.8
353.77100	5.9
365.73563	6.0
401.24878	93.5
402.24908	9.3
405.20517	7.0
417.27734	15.4
443.25714	26.8
461.26889	100.0
462.27457	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	10.2
57.07076	1.4
60.08152	6.5
67.05502	2.7
69.07056	1.8
71.07360	3.0
71.32314	1.1
79.05511	2.2
81.07041	1.7
83.04981	14.9
85.06581	1.4
86.09707	35.6
91.05481	1.5
93.07041	4.5
95.04967	1.3
95.08604	3.3
98.98478	4.6
104.10735	3.0
105.07039	4.6
107.08582	2.0
109.06522	1.0
109.10165	1.1
111.04443	3.8
111.08079	2.2
115.05401	1.4
117.06995	1.2
119.08573	3.4
121.10131	1.1
123.08025	1.2
124.99094	1.1
124.99999	21.6
128.06259	1.1
129.07047	1.1
131.08559	2.1
133.10127	2.5
135.08051	2.2
143.08548	2.1
145.10106	2.6
149.09589	1.2
155.08545	1.8
156.09288	1.4
157.10136	2.9
159.11713	1.9
161.09537	1.0
167.08502	1.1
169.10071	2.4
171.11691	3.1
181.10106	2.4
183.11700	2.5
184.07338	100.0
185.07826	1.2
185.13214	1.7
193.10107	1.7
195.11754	1.6
196.12419	1.0
197.13206	1.7
199.11220	1.0
205.10037	2.0
206.10976	1.4
207.10141	3.6
207.11760	2.7
209.13243	1.3
211.14853	1.3
219.11665	2.9
221.13280	2.6
225.09171	1.6
231.11609	1.3
233.13321	1.7
234.13951	1.9
235.14777	2.3
247.14929	1.5
249.16391	1.5
253.08592	1.4
257.13232	1.6
259.14786	1.5
261.16418	3.0
265.12405	1.4
273.16138	1.2
277.15900	2.3
281.08170	2.9
287.17743	1.4
288.15085	1.1
295.17004	2.4
303.17416	1.9
305.19016	1.1
311.09067	2.4
319.17047	1.1
321.18460	1.8
323.09387	1.1
325.14258	1.6
326.14825	1.3
329.18906	2.1
333.22083	2.6
343.11707	4.3
343.20584	1.6
344.21262	1.6
351.23166	3.5
362.22287	1.8
379.06296	1.1
401.24890	1.6
415.26486	3.4
425.24625	3.1
443.25827	8.2
444.26117	1.5
461.26849	9.9
467.11688	1.1
479.27994	1.4
491.69043	1.0
496.34232	3.4
497.35883	1.7
511.80298	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	10.3
56.05027	1.6
57.03416	0.9
57.07066	2.4
58.06597	1.9
60.08165	17.8
67.05501	3.4
67.05806	0.5
69.07046	1.2
69.09508	2.0
69.09927	2.9
71.07373	7.2
71.08619	2.1
79.05480	1.3
81.07045	2.4
83.04983	12.5
83.08618	0.8
85.10182	0.6
86.09707	51.8
87.10021	0.6
90.32238	0.5
91.05478	2.9
93.07044	3.4
95.05001	0.7
95.08615	5.6
98.23380	1.1
98.98464	4.5
104.10744	100.0
105.07003	3.6
105.11082	1.3
107.08594	2.2
109.06553	1.0
109.10136	1.4
111.04421	2.2
111.08073	2.4
117.07016	0.9
119.08610	3.1
121.06524	0.6
121.10125	0.9
123.08058	1.5
125.00009	28.6
131.08578	1.9
133.10114	2.7
135.08070	1.0
136.52599	0.5
138.72545	0.6
139.07576	0.9
141.06963	0.7
142.07764	0.9
143.08589	1.9
145.10117	1.8
147.11772	0.6
149.09657	1.0
155.08606	1.4
157.10097	3.0
159.08102	0.9
159.11694	2.7
161.09679	1.6
164.04420	0.6
167.08647	0.7
169.10155	1.9
171.07907	0.8
171.11688	2.5
173.09634	0.9
175.11154	0.8
181.10187	2.1
183.11723	2.5
184.07346	95.3
185.09663	1.0
185.13264	1.8
187.11182	0.9
192.09322	0.8
193.10129	1.8
194.10886	1.1
195.11716	2.7
196.12238	1.1
197.13322	2.4
198.13931	0.7
201.12819	0.7
203.10745	0.9
205.10205	0.7
207.10033	1.2
207.11725	1.7
208.12292	1.0
209.13269	2.0
211.11256	0.7
213.12752	0.7
215.07033	1.1
218.10704	0.9
219.11752	1.7
220.12407	0.8
221.13290	2.1
222.13910	0.8
223.11151	1.1
223.14822	1.0
224.11678	0.8
231.11665	0.7
233.13309	1.9
234.13908	0.7
235.14810	2.8
237.16394	1.2
240.14667	0.6
245.13258	0.8
246.13759	0.9
247.11243	0.6
247.14838	0.9
249.12906	0.6
249.16391	1.0
251.10530	0.7
258.11133	1.2
261.12634	0.7
261.16440	1.1
263.17953	0.8
267.13770	0.7
275.18280	0.6
277.16019	1.2
277.19595	1.0
279.17346	1.1
281.93216	0.6
295.17026	1.7
303.17419	1.0
305.18912	0.7
313.27466	1.8
319.20511	0.7
321.18515	1.5
323.20245	0.9
339.19547	1.1
357.17313	0.6
361.21579	0.7
391.36429	0.6
397.13092	1.7
401.24896	3.1
419.25821	6.5
425.24960	1.0
432.26584	0.9
433.27399	0.9
435.28979	2.2
443.25821	3.1
450.27441	1.1
460.25671	1.2
461.26965	8.6
462.27679	1.0
478.26770	4.0
478.33081	6.7
479.27789	4.6
496.28113	1.5
496.34109	18.5
497.34698	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3398
Annotation	2-Palmitoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05503	0.9
56.05030	1.2
57.03421	0.6
57.07075	2.7
58.06578	1.3
59.07386	0.5
60.08163	16.3
61.14872	0.2
67.05499	1.1
69.07056	0.6
69.15472	1.1
69.15891	0.7
70.06585	0.4
71.07376	6.1
71.08627	1.7
74.08489	0.2
79.05486	0.4
81.07054	1.0
83.04974	1.0
83.08604	0.6
85.10172	0.8
85.47216	0.2
86.09703	45.5
87.10030	0.6
91.05476	0.2
93.07031	0.4
95.08607	1.0
98.98467	4.2
104.10741	96.4
105.07023	0.4
105.11071	1.0
109.10134	0.4
111.04427	0.3
119.08573	0.2
123.11650	0.3
123.46337	0.2
125.00000	25.3
131.08546	0.3
143.01054	0.5
145.10130	0.2
157.10117	0.5
163.01602	0.7
171.11697	0.3
178.30228	0.2
184.07338	100.0
185.07693	1.2
185.09302	0.2
208.12427	0.2
244.21825	0.2
258.11041	1.4
283.26187	0.2
313.27374	2.1
415.25766	0.2
419.25848	0.5
432.26489	0.3
461.26648	0.4
478.27167	0.4
478.32886	7.4
479.33423	0.7
496.33960	22.9
497.34210	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.2
56.05043	0.6
57.03447	0.3
57.07077	0.7
58.06608	0.4
60.08167	6.2
61.45978	0.2
67.05516	0.3
70.65097	0.3
70.65419	0.3
71.07372	3.1
71.08636	0.6
73.11843	0.2
76.71785	0.2
81.07037	0.4
82.77742	0.2
83.04963	1.2
85.10171	0.4
86.09708	29.6
87.10043	0.5
91.05486	0.3
93.07032	0.3
95.08599	0.5
98.98472	2.5
104.10744	2.9
105.07013	0.4
107.08597	0.3
109.06425	0.2
117.11945	0.2
121.10162	0.3
125.00007	21.5
132.05768	0.4
136.42924	0.2
137.06039	0.2
145.10127	0.2
150.39592	0.3
159.11690	0.3
161.09598	0.2
183.50623	0.2
184.07347	100.0
185.07732	1.2
207.10181	0.6
235.07239	0.2
241.08386	0.4
251.10652	0.3
313.27539	0.2
316.57910	0.2
325.14398	1.0
326.14972	0.6
343.11713	0.3
357.16962	0.9
461.26843	0.4
478.32639	0.9
496.34268	1.7
497.35913	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.3
57.07079	2.7
59.98700	1.6
67.05527	8.1
67.06705	1.8
69.07066	7.0
69.15708	14.8
79.05515	3.8
81.07054	7.4
83.04993	2.9
89.06042	6.7
91.05495	7.9
93.07030	12.0
95.04975	2.1
95.08598	15.2
97.06573	2.3
104.10767	2.9
105.07036	12.3
107.08586	10.4
109.06500	2.1
109.10171	7.2
111.04489	2.0
111.08105	3.8
117.07043	3.2
117.67665	1.7
119.08566	12.6
121.06512	2.3
121.10155	5.2
123.08095	4.1
131.08583	8.8
133.10094	8.7
133.91237	1.8
135.08096	6.2
137.05963	3.2
142.07776	3.4
143.08549	8.4
145.10150	9.3
147.08096	2.5
154.07861	2.6
155.08575	7.1
156.09393	2.0
157.10101	14.6
159.08134	2.1
159.11723	7.3
161.09650	5.3
163.11188	2.2
166.07857	2.4
167.08568	2.1
169.10133	13.5
171.11693	9.9
173.09668	2.2
173.13297	2.7
175.11197	3.2
179.08493	2.4
179.10741	2.6
181.10101	6.1
181.12102	1.7
183.11693	11.9
184.07489	2.4
185.09650	2.0
185.13304	4.4
189.12703	3.2
193.10176	5.4
194.10919	1.6
195.11713	7.6
197.13322	6.7
197.86063	1.7
199.11226	3.4
201.12785	2.1
205.10213	1.8
205.12166	2.6
206.10847	2.1
207.11754	5.5
209.13214	12.5
211.11017	2.1
211.14847	5.6
213.12819	2.9
221.13297	4.5
223.14845	7.8
225.12811	4.0
227.14339	2.7
229.12254	2.0
233.13248	3.7
235.14926	3.1
237.12616	2.7
237.16423	4.0
239.14510	2.1
241.15878	2.7
245.15350	1.9
247.14955	1.9
251.14328	4.8
253.15878	3.5
257.15274	1.9
259.17102	3.1
263.14285	2.6
265.15881	7.2
265.19531	3.3
266.58203	2.0
267.17386	2.4
269.15341	4.9
271.16989	5.4
277.15891	1.8
279.17538	3.5
279.21191	2.7
285.18713	2.5
287.20001	3.2
291.17477	2.0
293.19025	3.7
305.19043	2.2
307.20547	11.7
325.21573	13.7
327.23120	2.5
333.22314	5.1
374.14810	2.3
387.23126	2.1
396.83209	1.9
401.28781	2.8
405.23865	2.2
411.26566	2.0
419.29886	3.8
429.27881	16.2
447.28894	26.4
448.28909	3.1
465.30008	100.0
466.30246	8.9
496.34143	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03972	2.0
55.05516	12.4
57.03474	2.2
57.07075	4.0
61.76688	1.9
67.05513	13.3
69.07081	7.9
69.24477	11.1
69.24884	5.2
71.08646	3.7
79.05489	7.1
81.07052	14.0
82.14510	2.2
83.04993	10.7
85.10242	2.3
86.09718	3.8
89.06055	5.2
91.05480	11.7
93.07041	15.3
95.04977	3.2
95.08606	23.5
96.39948	1.9
97.06553	4.6
104.10783	4.9
105.07034	14.3
107.08612	19.2
109.06535	3.4
109.10162	9.9
111.04470	5.2
111.08086	5.7
117.07021	5.1
119.08591	21.5
121.10185	9.1
123.08086	9.0
129.07022	5.0
130.07857	2.9
131.08600	9.3
133.08638	2.5
133.10117	12.0
135.08055	5.1
135.11694	4.9
136.07561	3.5
141.07100	3.1
142.07831	4.4
143.08565	11.3
145.06497	2.4
145.10141	15.3
147.08092	4.2
147.11717	7.0
149.09641	3.9
153.07074	2.3
155.08575	8.6
156.09367	6.1
157.10132	18.7
159.11682	11.6
161.09648	9.0
161.13277	3.7
163.11118	2.3
169.10162	13.7
170.10834	3.3
171.11700	14.8
173.09727	5.8
173.13242	4.5
175.11165	5.2
177.09117	2.7
181.10170	6.6
183.11696	15.1
184.07410	4.5
185.09624	4.6
185.13271	5.9
187.11215	4.1
187.24771	2.6
189.12866	3.1
191.10622	3.5
193.10255	2.1
195.11751	9.9
196.12419	3.9
197.13277	12.9
199.11230	4.5
199.14882	5.7
203.10718	3.6
205.10228	2.7
207.11757	5.3
209.09718	2.9
209.13274	13.3
211.11295	3.6
211.14854	9.2
215.10674	4.4
221.13260	6.3
223.11067	3.1
223.14845	9.1
225.12778	5.3
225.16457	3.9
227.14362	4.7
228.53064	2.4
229.15881	4.3
231.13892	2.4
233.13332	3.1
235.14821	3.3
237.12871	5.7
237.16362	4.9
239.14229	3.3
245.15454	3.9
247.15019	2.7
249.16267	3.1
251.14229	4.8
251.17931	3.6
253.15967	3.6
255.13725	3.1
257.15530	3.3
261.16473	3.4
265.15942	4.4
269.15546	6.2
271.16986	29.1
277.08908	2.3
279.17416	3.7
283.17221	4.9
285.18524	4.1
289.19550	3.2
297.18671	5.0
307.20569	5.8
311.20221	3.4
323.20016	3.5
325.21649	24.1
366.25623	3.3
419.29974	10.2
421.31000	2.8
429.27637	7.0
433.28040	2.9
443.25705	2.8
447.29010	16.7
465.30048	100.0
466.30466	11.5
478.26788	5.3
496.16718	2.3
496.26590	5.9
496.35764	8.2
497.35794	4.0
511.32581	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23153	1.3
55.05509	4.5
67.05505	6.8
69.03456	1.1
69.07050	2.4
69.83235	1.1
71.30582	2.2
79.05505	4.4
79.78617	1.1
81.07052	5.6
83.04982	5.4
89.06035	1.3
91.05451	6.5
93.07067	8.4
95.04984	1.8
95.08617	15.1
97.06620	1.2
98.23150	1.4
104.10739	1.8
105.07051	7.7
105.07650	1.3
107.08601	8.3
109.06524	2.1
109.10162	5.2
111.08094	3.4
117.07010	2.4
119.08575	11.8
121.06435	2.0
121.10133	5.1
123.08080	4.1
125.09641	1.8
127.77026	1.3
129.07025	2.7
131.08606	2.8
133.08713	1.3
133.10123	7.4
135.08026	6.5
135.11711	3.6
136.07574	2.5
139.07501	1.4
141.06898	1.5
142.79079	1.2
143.08546	4.0
145.10139	6.0
147.08015	2.0
147.11693	6.0
149.09677	1.5
149.13257	1.5
154.08646	9.1
155.08571	4.6
157.10110	7.0
159.11710	5.8
161.09631	5.0
161.13275	3.1
167.08551	2.1
169.10178	6.2
171.11729	5.8
173.09686	1.3
173.13261	2.1
175.11182	2.3
177.28079	1.1
179.08562	2.1
181.10167	3.6
182.12041	1.5
183.11714	4.6
184.07286	1.5
185.09575	2.4
185.13258	1.9
187.11098	2.5
189.12791	3.6
189.16425	1.8
193.10159	3.2
194.10934	1.7
195.07977	1.2
195.11679	4.0
197.09641	1.4
197.13332	3.2
199.11226	3.3
199.14912	1.2
201.12794	2.7
206.10840	1.9
207.11723	3.8
208.12421	1.8
209.13252	5.5
211.14876	2.8
213.12744	2.0
221.13277	5.1
223.14777	6.6
225.12732	1.7
225.16415	2.3
227.14375	3.5
232.12482	1.7
233.13326	2.2
235.14832	2.3
239.14313	2.1
241.15904	4.2
247.14841	2.1
249.16547	2.0
251.14316	5.5
253.15984	3.1
261.16443	2.0
263.17911	2.1
265.15909	2.1
267.17322	2.9
285.18481	1.7
289.19638	2.0
291.21271	1.4
293.19028	2.0
304.90100	1.2
305.19260	1.6
307.20544	12.1
326.02444	1.6
326.11508	5.1
328.07587	1.3
333.22049	2.1
347.84808	1.3
348.24286	2.1
351.18259	1.3
357.13260	2.8
419.29236	3.2
421.27338	2.3
429.27762	11.7
430.27994	1.8
447.28934	100.0
448.29440	7.7
465.29984	29.1
466.30219	2.5
478.36667	5.5
479.27246	1.9
496.27637	2.2
496.38687	17.0
497.36459	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23153	1.3
55.05509	4.5
67.05505	6.8
69.03456	1.1
69.07050	2.4
69.83235	1.1
71.30582	2.2
79.05505	4.4
79.78617	1.1
81.07052	5.6
83.04982	5.4
89.06035	1.3
91.05451	6.5
93.07067	8.4
95.04984	1.8
95.08617	15.1
97.06620	1.2
98.23150	1.4
104.10739	1.8
105.07051	7.7
105.07650	1.3
107.08601	8.3
109.06524	2.1
109.10162	5.2
111.08094	3.4
117.07010	2.4
119.08575	11.8
121.06435	2.0
121.10133	5.1
123.08080	4.1
125.09641	1.8
127.77026	1.3
129.07025	2.7
131.08606	2.8
133.08713	1.3
133.10123	7.4
135.08026	6.5
135.11711	3.6
136.07574	2.5
139.07501	1.4
141.06898	1.5
142.79079	1.2
143.08546	4.0
145.10139	6.0
147.08015	2.0
147.11693	6.0
149.09677	1.5
149.13257	1.5
154.08646	9.1
155.08571	4.6
157.10110	7.0
159.11710	5.8
161.09631	5.0
161.13275	3.1
167.08551	2.1
169.10178	6.2
171.11729	5.8
173.09686	1.3
173.13261	2.1
175.11182	2.3
177.28079	1.1
179.08562	2.1
181.10167	3.6
182.12041	1.5
183.11714	4.6
184.07286	1.5
185.09575	2.4
185.13258	1.9
187.11098	2.5
189.12791	3.6
189.16425	1.8
193.10159	3.2
194.10934	1.7
195.07977	1.2
195.11679	4.0
197.09641	1.4
197.13332	3.2
199.11226	3.3
199.14912	1.2
201.12794	2.7
206.10840	1.9
207.11723	3.8
208.12421	1.8
209.13252	5.5
211.14876	2.8
213.12744	2.0
221.13277	5.1
223.14777	6.6
225.12732	1.7
225.16415	2.3
227.14375	3.5
232.12482	1.7
233.13326	2.2
235.14832	2.3
239.14313	2.1
241.15904	4.2
247.14841	2.1
249.16547	2.0
251.14316	5.5
253.15984	3.1
261.16443	2.0
263.17911	2.1
265.15909	2.1
267.17322	2.9
285.18481	1.7
289.19638	2.0
291.21271	1.4
293.19028	2.0
304.90100	1.2
305.19260	1.6
307.20544	12.1
326.02444	1.6
326.11508	5.1
328.07587	1.3
333.22049	2.1
347.84808	1.3
348.24286	2.1
351.18259	1.3
357.13260	2.8
419.29236	3.2
421.27338	2.3
429.27762	11.7
430.27994	1.8
447.28934	100.0
448.29440	7.7
465.29984	29.1
466.30219	2.5
478.36667	5.5
479.27246	1.9
496.27637	2.2
496.38687	17.0
497.36459	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03972	2.0
55.05516	12.4
57.03474	2.2
57.07075	4.0
61.76688	1.9
67.05513	13.3
69.07081	7.9
69.24477	11.1
69.24884	5.2
71.08646	3.7
79.05489	7.1
81.07052	14.0
82.14510	2.2
83.04993	10.7
85.10242	2.3
86.09718	3.8
89.06055	5.2
91.05480	11.7
93.07041	15.3
95.04977	3.2
95.08606	23.5
96.39948	1.9
97.06553	4.6
104.10783	4.9
105.07034	14.3
107.08612	19.2
109.06535	3.4
109.10162	9.9
111.04470	5.2
111.08086	5.7
117.07021	5.1
119.08591	21.5
121.10185	9.1
123.08086	9.0
129.07022	5.0
130.07857	2.9
131.08600	9.3
133.08638	2.5
133.10117	12.0
135.08055	5.1
135.11694	4.9
136.07561	3.5
141.07100	3.1
142.07831	4.4
143.08565	11.3
145.06497	2.4
145.10141	15.3
147.08092	4.2
147.11717	7.0
149.09641	3.9
153.07074	2.3
155.08575	8.6
156.09367	6.1
157.10132	18.7
159.11682	11.6
161.09648	9.0
161.13277	3.7
163.11118	2.3
169.10162	13.7
170.10834	3.3
171.11700	14.8
173.09727	5.8
173.13242	4.5
175.11165	5.2
177.09117	2.7
181.10170	6.6
183.11696	15.1
184.07410	4.5
185.09624	4.6
185.13271	5.9
187.11215	4.1
187.24771	2.6
189.12866	3.1
191.10622	3.5
193.10255	2.1
195.11751	9.9
196.12419	3.9
197.13277	12.9
199.11230	4.5
199.14882	5.7
203.10718	3.6
205.10228	2.7
207.11757	5.3
209.09718	2.9
209.13274	13.3
211.11295	3.6
211.14854	9.2
215.10674	4.4
221.13260	6.3
223.11067	3.1
223.14845	9.1
225.12778	5.3
225.16457	3.9
227.14362	4.7
228.53064	2.4
229.15881	4.3
231.13892	2.4
233.13332	3.1
235.14821	3.3
237.12871	5.7
237.16362	4.9
239.14229	3.3
245.15454	3.9
247.15019	2.7
249.16267	3.1
251.14229	4.8
251.17931	3.6
253.15967	3.6
255.13725	3.1
257.15530	3.3
261.16473	3.4
265.15942	4.4
269.15546	6.2
271.16986	29.1
277.08908	2.3
279.17416	3.7
283.17221	4.9
285.18524	4.1
289.19550	3.2
297.18671	5.0
307.20569	5.8
311.20221	3.4
323.20016	3.5
325.21649	24.1
366.25623	3.3
419.29974	10.2
421.31000	2.8
429.27637	7.0
433.28040	2.9
443.25705	2.8
447.29010	16.7
465.30048	100.0
466.30466	11.5
478.26788	5.3
496.16718	2.3
496.26590	5.9
496.35764	8.2
497.35794	4.0
511.32581	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01875	1.0
55.05503	1.3
55.17256	0.6
57.03424	1.1
61.02920	1.1
65.03936	0.7
67.05495	4.5
69.03426	4.7
69.07069	51.7
70.06599	1.0
70.07393	0.9
71.04967	1.0
71.29191	1.0
73.02901	0.9
79.05499	1.9
80.50422	0.6
81.02995	0.6
81.03417	4.1
81.07056	5.5
81.48615	0.6
83.01316	0.9
83.04971	1.5
83.08612	1.3
85.02906	7.1
87.04459	0.6
91.05469	2.0
92.05006	1.3
93.05761	0.7
93.07042	2.1
93.65974	0.6
94.06552	2.0
95.04968	2.0
95.08607	1.9
97.02911	3.5
97.06538	10.2
97.10165	0.6
99.04419	0.9
100.11259	1.3
105.07014	1.6
107.08592	1.4
109.02874	1.3
109.06534	1.4
109.10152	2.2
111.04401	0.7
116.10728	0.7
117.07003	0.8
119.08585	1.7
121.06551	0.9
121.10121	1.1
122.06010	4.5
123.11694	0.9
124.07578	1.2
125.05992	1.0
126.09180	0.7
127.03910	1.6
129.07056	0.7
130.19452	0.6
131.07323	0.8
131.08540	0.7
133.10150	1.7
137.05989	4.0
138.05502	3.9
140.07059	5.3
144.08060	0.6
145.08859	1.9
145.10120	1.6
146.09633	2.1
147.06815	1.0
148.03951	0.8
149.05948	0.7
150.05505	59.8
151.05876	1.5
151.07600	1.0
153.03529	0.6
153.12671	0.6
157.08864	1.4
157.10019	0.7
159.10489	1.2
160.07599	1.4
160.11200	0.7
161.08359	2.6
162.09142	2.2
163.60193	0.6
165.09265	0.9
166.05006	15.6
167.07146	0.7
168.06583	0.7
170.09669	1.2
172.07542	0.8
172.11177	1.9
173.08366	1.7
173.09763	0.8
174.09187	1.3
174.12767	4.4
176.03387	4.1
178.04980	2.1
181.06218	0.6
182.04428	0.7
182.09619	0.8
182.15460	1.0
185.08398	1.0
186.07674	1.1
188.10661	1.7
190.12263	4.5
192.02869	1.2
193.12279	1.0
194.04454	2.1
194.12613	0.8
198.14922	1.2
200.10773	5.1
202.12251	4.6
210.14886	1.1
216.10255	3.1
218.08231	1.6
218.11755	17.0
219.12047	0.8
226.08707	0.9
226.14395	0.9
227.12822	1.3
228.10184	12.5
229.13377	1.4
234.11252	3.5
243.11331	1.4
244.06133	0.7
244.09650	2.2
245.12868	0.7
245.29994	0.6
246.11255	18.0
253.09747	0.8
255.11365	1.2
256.09686	1.1
257.09225	1.4
260.09106	1.1
261.08630	0.8
271.10672	3.2
272.09180	2.5
273.12344	2.5
274.10724	2.6
286.17581	0.8
287.10275	7.6
288.10764	0.9
289.11829	9.8
290.10156	1.4
299.10248	5.6
301.16446	3.5
317.11313	32.1
318.09308	1.3
335.12366	100.0
336.12775	4.2
497.19055	4.6
524.45465	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.2
51.41849	1.2
53.03934	2.5
55.05513	84.2
56.05844	1.6
59.05008	2.1
65.03955	1.5
67.05496	4.5
69.03442	1.6
69.07062	1.7
69.51195	2.5
69.51608	7.0
79.05491	2.4
81.07055	4.1
83.04981	100.0
84.05325	2.8
87.04478	5.5
91.05479	10.0
93.07030	8.1
95.04993	1.7
95.08604	4.9
99.04435	3.4
103.05453	2.0
104.06253	3.5
105.07022	5.8
107.08602	5.1
107.68761	1.6
109.06492	3.5
110.98798	1.5
111.08089	2.5
115.03902	3.1
115.05462	5.1
117.07027	5.6
119.04931	16.2
119.05828	1.5
119.06102	1.3
119.08570	9.0
121.06482	6.9
121.10183	1.9
123.08064	1.8
125.69699	1.4
129.06984	1.8
131.08559	3.6
132.05714	34.0
133.06436	2.1
133.10156	2.7
134.07324	2.6
137.05968	2.8
138.89964	1.4
143.08574	3.5
145.10162	2.4
147.08031	18.7
147.11815	1.4
149.06018	4.6
155.08617	2.5
157.10132	4.1
158.01329	1.3
159.11716	4.0
160.05247	2.6
161.06049	1.6
163.07588	1.6
165.07019	1.5
167.08575	2.5
169.06543	1.3
169.10110	5.3
171.11755	2.8
175.07547	6.2
177.05530	2.1
179.08467	1.8
179.10657	12.6
181.10118	3.7
183.11702	2.2
191.08594	2.8
192.07823	3.3
193.10153	2.4
195.08122	2.4
195.11711	3.5
197.13248	3.5
203.08626	1.5
205.06444	2.1
205.10159	1.6
206.10902	1.8
207.10152	99.6
208.10538	3.1
209.13213	3.1
219.08014	2.9
221.05804	1.6
221.09526	1.8
221.13300	2.9
222.06718	1.5
223.11029	1.7
223.14864	2.4
225.11125	3.0
233.06044	2.6
234.06715	2.6
235.07611	1.8
237.09099	2.2
239.03456	1.8
240.04182	2.8
241.05171	2.3
247.07639	3.0
249.05400	2.4
250.06192	5.9
251.03493	3.3
251.07063	3.5
251.10704	2.1
253.04991	1.7
253.15950	2.0
258.44385	2.0
263.07031	4.9
264.07809	2.1
265.04944	4.5
265.08609	7.4
266.05658	3.9
267.06570	1.7
268.03912	1.7
269.04501	3.0
271.05923	1.7
277.08386	2.2
278.05542	1.7
278.09119	1.7
279.06589	5.5
279.09918	1.7
279.17410	1.5
280.07303	2.9
281.04440	2.5
281.08057	2.8
283.06070	3.4
291.06461	2.7
292.07260	2.4
293.04868	2.5
293.07889	7.3
294.05356	1.9
295.06100	2.4
295.09628	4.1
297.04483	1.9
297.07532	9.1
298.04874	1.6
299.05423	3.9
305.08081	6.3
307.05994	4.1
307.09558	5.0
308.06662	1.8
308.10251	1.5
309.07578	4.4
309.11292	3.7
311.05719	7.5
311.08911	2.4
313.07095	14.2
321.07547	3.5
321.11124	1.9
322.08340	3.6
323.09204	16.6
325.07007	3.9
326.07806	13.5
327.08627	2.5
328.09412	6.1
332.06848	2.7
333.07486	4.2
335.09070	2.4
337.07169	2.4
337.10568	10.2
338.07718	2.0
339.08713	3.7
340.09497	2.6
341.10141	3.2
347.09109	3.3
348.09821	4.8
349.07077	4.2
349.10898	2.6
350.07803	3.5
352.09351	2.6
353.10184	2.8
354.10895	2.1
355.11884	2.9
364.09262	4.0
365.09991	4.9
366.11008	4.0
367.11688	7.0
369.13370	13.9
370.13672	2.4
379.11633	10.4
382.10498	2.0
385.12762	2.7
397.12671	17.7
401.24500	1.6
402.25021	2.4
410.13562	7.5
417.27795	1.8
433.27682	2.1
440.14523	1.8
443.25616	2.0
461.26651	6.4
462.27213	3.5
463.28409	3.9
479.27985	4.0
481.29111	2.0
497.18109	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.5
55.01873	1.0
55.05511	69.5
58.71535	0.9
59.04990	2.3
65.03940	0.8
67.05495	1.2
67.93211	0.9
69.03432	1.6
69.07081	1.3
69.10654	6.6
75.04507	1.6
79.05489	1.5
81.07059	3.0
83.04980	100.0
84.05312	1.7
87.04456	2.9
91.05473	9.3
93.07040	4.7
95.04972	1.7
95.08586	3.8
99.04469	2.6
104.06263	2.8
105.07028	4.0
107.04960	1.3
107.08591	2.8
109.06512	2.3
109.10159	1.2
111.04517	1.0
111.08060	1.5
115.03943	2.5
115.05433	5.2
117.07000	4.8
119.04945	11.8
119.05815	1.3
119.08567	7.8
121.06524	6.1
121.10130	2.0
123.08086	0.9
129.06999	2.2
131.04945	1.0
131.08598	1.9
132.05707	25.5
133.06491	1.2
133.10109	2.9
134.07243	2.4
135.08037	1.5
136.05241	1.0
137.05919	1.2
139.07529	0.9
145.06473	1.9
145.10114	3.1
147.08035	11.4
149.05965	3.3
149.09624	2.2
155.08533	1.9
157.10156	2.4
159.11722	1.3
160.05257	2.2
161.06020	1.4
161.09665	1.2
164.08328	1.2
165.07001	1.5
167.08653	1.0
169.10127	2.3
171.11728	2.6
175.07564	6.3
177.05525	1.6
179.09102	1.2
179.10670	8.4
181.10112	1.7
183.11702	1.9
185.09633	1.0
187.11269	1.0
189.07146	1.1
190.07722	0.9
191.08530	0.9
192.07771	2.2
193.10115	1.5
194.07356	1.1
195.08072	1.3
195.11697	1.5
197.05832	0.9
197.13319	1.7
205.06531	2.6
205.10242	1.0
207.10155	65.9
208.08745	1.4
208.10522	2.3
209.09776	1.4
209.13231	1.8
212.04651	1.1
219.08054	1.4
219.11674	1.0
221.06107	1.1
221.13255	1.7
222.06848	2.4
223.07538	1.5
223.11200	1.1
223.14828	1.1
225.05443	1.9
225.11203	3.0
233.06064	2.1
235.07558	1.8
237.09152	3.3
238.09938	1.0
239.03491	1.6
240.04056	1.4
241.05089	1.1
247.07498	2.2
249.05412	1.6
249.09230	1.2
250.06288	3.3
251.03377	4.1
251.07062	2.8
251.10678	1.7
252.04085	1.4
252.07925	1.2
253.04999	2.5
253.08603	1.6
255.06538	1.1
262.06296	1.0
263.07059	4.3
264.04202	1.1
264.07748	3.4
265.04941	3.4
265.08496	6.7
266.05759	3.4
267.03061	1.0
267.10138	1.6
269.08530	1.1
277.08569	2.4
278.05673	2.2
278.09268	1.1
279.06567	4.8
279.09909	2.0
280.03781	1.5
280.07220	2.3
281.04489	1.8
281.07938	1.8
282.05417	1.5
287.09247	1.4
289.04907	1.0
291.06400	2.4
292.07263	2.4
293.04773	1.8
293.08118	5.6
294.05362	2.3
294.08817	3.0
295.06268	2.1
295.09653	3.6
297.04282	1.2
297.07529	14.2
298.07971	1.2
299.05444	2.7
305.07889	4.9
306.08731	1.7
307.05966	2.7
307.09625	2.7
308.06772	2.1
308.10321	1.5
309.07495	5.0
309.11176	3.6
310.08307	1.2
311.05447	5.5
311.08597	1.1
313.07040	10.4
315.08569	2.2
319.05981	1.8
321.07553	2.4
321.11130	2.1
322.08395	2.4
323.05658	1.7
323.09161	16.5
324.09772	2.1
325.07043	3.5
325.10471	1.6
326.07803	7.5
327.08426	1.3
328.09390	2.8
333.07587	3.6
334.08524	1.1
335.05499	1.2
335.09204	1.8
336.10004	1.4
337.07095	2.2
337.10699	8.6
338.11148	1.1
339.08597	3.0
339.12238	2.6
340.09479	2.2
341.10132	2.5
347.09018	2.7
348.09900	4.2
349.06985	2.9
349.10773	1.4
350.07712	2.9
351.08282	1.0
352.09232	2.4
353.10077	1.8
354.10904	1.2
355.11871	3.0
364.09241	2.2
365.10153	5.2
366.10880	3.9
367.11786	7.8
369.13266	8.9
379.11740	8.5
382.10425	1.5
385.12811	2.4
397.12888	15.9
410.13596	2.1
419.25751	1.8
435.28860	1.4
437.27075	1.1
443.25833	1.3
461.26755	2.5
479.17142	1.9
479.27560	3.5
497.17697	1.5
497.28830	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01867	0.9
55.05511	63.8
56.05827	1.2
57.07096	0.9
67.05494	5.0
69.03440	1.3
69.07069	3.4
70.01017	4.1
79.05498	3.6
81.07042	5.3
82.91779	0.8
83.04979	100.0
84.05302	1.4
87.04470	2.9
91.05479	13.4
93.07038	9.3
95.04951	2.3
95.08601	13.1
97.06560	1.8
99.04442	3.4
103.05482	0.9
104.06245	2.8
105.07024	9.7
107.04949	1.2
107.08591	7.3
109.06532	3.4
109.10153	2.3
111.04441	3.0
111.08105	2.5
113.06040	1.7
115.03918	1.7
115.05457	3.4
117.07032	5.5
119.04934	11.8
119.08586	12.7
121.06474	5.0
121.10165	3.0
123.04366	1.1
123.08071	3.0
123.11703	1.6
124.07091	0.9
127.03924	2.1
128.06203	2.1
129.07019	2.6
131.08551	5.5
132.05707	22.8
133.06558	2.3
133.10146	5.0
134.07227	1.7
135.08083	1.6
135.11697	1.1
137.05981	1.5
139.07555	2.3
139.96158	0.9
141.07042	1.5
141.09109	1.6
142.07768	2.3
143.08575	5.1
144.09286	1.1
145.06497	1.9
145.10135	5.9
147.08031	12.9
147.11737	2.8
149.06009	3.6
149.09650	2.4
155.08565	4.4
156.09343	1.2
157.10129	7.4
159.08040	2.4
159.11713	3.6
160.05252	1.4
161.05984	1.6
161.09657	2.1
161.13261	1.4
163.07591	1.4
163.11159	1.3
165.07060	2.3
165.09119	1.2
166.07745	1.1
167.08591	2.7
168.09335	1.7
169.08849	1.0
169.10109	4.8
171.08075	1.9
171.11746	6.1
173.09639	3.0
173.13269	3.2
175.07555	5.8
175.11172	1.9
176.08105	0.9
177.05522	2.1
177.09024	1.2
179.08487	2.4
179.10619	6.5
180.09299	1.5
181.06651	1.1
181.08784	0.9
181.10088	4.7
182.10858	1.7
183.08101	1.4
183.11758	5.0
184.12448	1.0
185.09595	2.1
185.13281	2.7
187.11232	1.7
187.14789	1.5
189.12697	2.0
191.08617	1.1
192.07758	1.4
192.09419	1.1
193.10155	4.1
194.10754	1.1
195.08105	1.9
195.11745	4.4
197.05956	1.1
197.09607	2.0
197.13271	2.5
199.11165	1.8
199.14943	1.9
201.09090	1.4
201.12770	1.9
205.06578	1.1
205.10188	1.6
206.10866	1.3
207.08183	2.1
207.10127	56.5
208.10483	2.6
209.09727	1.9
209.13284	3.7
211.14880	2.8
213.12642	1.6
217.10153	1.6
219.08139	2.8
219.11694	1.6
221.05936	1.1
221.09645	1.5
221.13272	3.3
222.06784	1.2
222.10045	1.2
222.13757	1.3
223.07524	1.3
223.11113	1.8
223.14859	1.8
225.05519	1.2
225.09129	1.8
227.07060	1.2
227.10715	1.2
227.14395	2.5
233.13339	2.0
235.07503	2.1
235.14861	2.0
237.05479	1.5
237.09108	1.6
237.12645	1.2
237.16440	1.7
239.03503	2.7
239.07001	2.0
239.10577	1.0
239.14314	1.6
241.12321	2.1
241.15819	1.4
245.13264	1.4
246.09966	0.9
246.13928	0.9
247.07608	1.1
249.05412	1.2
249.16344	1.9
250.06247	4.2
251.03418	3.6
251.06995	3.3
251.10799	1.1
251.17987	1.2
252.04092	1.7
253.04800	2.6
253.08582	1.2
255.06526	1.3
261.05441	1.3
261.16498	1.9
263.07074	4.4
263.14288	1.2
264.07919	1.8
265.05243	4.5
265.08441	5.5
266.05771	4.0
266.20532	1.3
267.06650	2.1
267.10101	1.8
267.13812	1.7
275.17554	1.2
277.08575	2.0
278.05609	1.9
279.06534	5.3
279.09857	2.3
279.13727	1.4
279.17270	1.1
280.03922	1.4
280.07245	2.9
281.04755	1.5
281.08182	2.9
281.15460	1.3
282.05423	2.0
282.08521	1.0
283.06006	1.4
287.09232	1.7
289.33359	1.0
291.06570	3.4
292.07202	1.2
293.04779	1.4
293.08109	4.7
293.11435	1.0
294.05203	3.4
294.08633	2.0
295.05969	2.5
295.09665	2.9
296.06735	1.5
296.10068	1.3
297.04282	1.4
297.07544	16.5
297.18588	1.0
298.04727	1.4
298.07950	1.5
299.05490	2.2
303.06418	1.4
304.06931	1.7
305.08099	3.6
306.08810	1.6
307.05984	3.6
307.09680	2.8
308.06763	1.7
308.10049	1.2
309.07532	5.9
309.11218	3.6
309.18729	1.0
310.08246	2.0
311.05576	3.5
311.08939	1.9
313.07037	9.6
315.08551	2.4
319.05957	2.0
320.06827	1.5
321.07605	3.5
321.11218	1.7
321.18527	1.9
322.08319	4.2
323.09119	17.0
324.09720	1.8
325.07248	4.7
325.10596	1.6
326.07816	6.8
327.08762	2.3
327.12268	1.3
328.09268	6.1
332.06567	1.3
333.07486	4.9
335.05478	1.6
335.09167	3.8
336.10007	1.5
337.07043	3.2
337.10727	9.0
338.11365	2.1
339.08554	4.6
339.12436	3.0
339.19385	1.7
340.09418	5.8
341.10117	3.2
347.09189	2.8
348.09909	3.8
349.07040	5.4
349.10831	1.9
350.07785	3.5
351.08597	1.7
352.09399	3.3
353.10269	2.4
354.10797	1.5
355.11786	4.2
357.20468	1.2
364.09467	4.2
365.10184	6.6
365.24820	1.7
366.10883	4.8
367.11734	11.1
369.13397	10.1
375.23462	1.5
379.11734	8.8
382.10583	1.9
385.12827	3.2
397.12817	22.1
398.12924	2.2
403.22766	3.8
410.13651	6.2
415.26288	2.8
417.27917	2.6
419.25534	2.2
421.23602	4.6
433.27615	2.1
435.28912	2.3
437.26761	2.9
440.14673	2.0
443.26065	5.0
451.28433	1.3
453.29984	3.0
460.26016	1.2
461.26901	14.2
462.27286	1.4
467.16785	1.4
479.16919	1.8
479.27756	13.6
497.17786	3.2
497.28906	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74335	0.3
55.05503	0.4
55.50327	0.3
67.05502	0.5
69.03427	0.8
71.31549	0.4
79.05491	0.5
79.84145	0.3
81.07053	1.4
85.02898	0.4
91.05470	0.6
93.07051	0.8
95.04958	0.5
100.11263	0.5
105.07053	1.0
107.08577	0.7
109.02869	0.4
109.06515	0.4
117.07044	0.4
119.08578	0.4
121.06510	0.5
121.10134	0.3
131.05008	0.3
131.08553	0.4
137.05978	2.0
139.07506	0.3
143.08568	0.5
145.10121	0.5
147.08025	0.4
149.06085	0.4
151.03886	0.5
151.07549	1.1
155.08575	0.7
157.10144	0.4
159.07970	0.5
161.09618	0.5
169.10223	0.3
171.08018	0.4
171.11765	0.4
173.09647	0.5
178.65880	0.2
181.10179	0.5
183.11697	0.4
185.09544	0.3
187.07381	0.3
189.09138	0.4
191.03389	0.4
197.13290	0.4
203.05305	0.8
209.13326	0.4
215.48979	0.3
223.14766	0.3
245.06372	0.3
285.09430	2.5
287.07471	0.4
295.20908	0.4
347.09348	0.8
353.15710	6.4
353.25040	0.4
371.16858	0.5
371.21930	0.5
395.16840	1.0
407.18546	0.5
421.23901	1.1
425.19595	0.8
435.19897	14.8
436.20255	0.9
437.17789	6.4
438.18344	0.4
479.19339	1.3
497.19913	100.0
498.20200	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40565	0.5
53.03943	2.0
55.05510	74.7
56.05845	1.0
59.04996	0.5
64.89843	0.5
69.37975	1.5
69.38398	1.6
79.05499	0.6
82.53387	0.5
83.04980	100.0
84.05317	1.4
91.05500	1.8
93.07068	1.1
98.22569	0.5
99.04462	0.6
104.06199	0.6
115.03952	0.8
116.06190	0.5
117.06976	0.5
119.04947	2.7
119.08576	1.2
120.96248	0.4
121.06509	1.1
132.05704	7.1
138.95438	0.5
147.08047	3.0
165.51770	0.5
165.71043	0.5
175.07584	1.1
177.05502	0.7
179.10680	2.4
205.06447	0.6
207.10150	17.7
208.10674	0.5
225.11218	0.6
233.09673	0.5
235.07758	0.7
247.07607	0.8
249.09044	0.7
250.06258	0.6
250.09853	0.5
251.07091	0.8
253.08679	0.6
260.94183	0.6
261.09280	0.8
262.10019	1.2
263.07062	1.4
263.10544	0.6
265.05035	1.0
265.08591	1.5
265.12015	0.5
266.05661	0.7
277.08600	1.8
278.09436	1.8
279.06747	1.1
279.10120	0.8
281.08163	1.2
284.03226	0.6
289.08450	0.6
291.06644	0.7
292.07446	0.7
293.08072	1.6
293.11774	2.7
294.09000	0.8
295.06357	0.5
295.09653	1.0
297.07614	2.0
299.05585	1.1
299.08835	0.8
305.04709	0.6
305.08163	1.5
307.09756	1.5
308.10553	0.8
308.14081	2.4
309.07690	1.2
309.11255	1.9
311.05515	1.5
313.07120	2.5
319.09647	0.8
320.10461	2.2
321.11176	3.6
323.09338	2.7
324.13477	0.6
325.07089	1.2
326.07898	1.2
326.11560	1.6
327.08691	1.1
327.12292	1.2
328.09238	1.2
329.10297	1.5
332.06793	0.6
333.07568	1.4
335.09128	1.2
335.12891	1.0
336.09796	0.7
336.13574	1.0
337.07217	0.7
337.10754	3.0
339.08569	1.0
340.09506	1.0
342.11047	0.6
343.11865	0.7
348.09882	1.1
349.07080	0.8
350.08023	0.6
351.12268	3.3
352.09256	0.8
353.10190	1.1
355.11826	0.6
357.13412	2.0
358.13913	0.6
365.10104	1.1
366.10818	0.8
366.14697	9.5
367.08096	0.8
367.12000	1.0
367.15466	12.1
369.13397	2.3
379.11795	2.7
385.16803	0.9
397.12668	2.9
397.17313	3.5
410.13712	1.2
415.17606	0.8
415.98383	0.6
497.21774	18.8
498.22034	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03895	2.1
55.01807	2.4
55.05453	4.7
58.58517	0.7
65.03893	1.6
65.04192	0.7
67.05440	10.2
68.99747	0.8
69.03361	6.9
69.07005	2.0
71.04949	1.5
73.51787	0.6
77.03862	0.9
79.05494	14.9
79.05909	1.0
81.03343	2.2
81.07058	44.7
81.07507	2.7
82.07361	0.9
83.04982	4.3
91.05482	15.1
93.07041	8.8
95.04972	8.6
95.08609	28.1
97.02885	8.8
97.06471	2.5
99.04466	7.1
103.05402	2.8
105.07030	12.2
107.04868	2.4
107.08590	8.5
108.05540	0.7
109.02797	1.0
109.06522	27.6
109.10073	1.4
111.04417	3.4
111.08012	2.7
115.05441	4.3
116.06161	0.9
117.07024	7.1
117.54610	0.6
119.04858	2.1
119.08584	8.4
121.06499	6.2
121.10114	1.3
122.07264	0.7
123.04342	2.4
123.08074	17.1
125.05892	1.4
125.09618	1.0
128.06224	5.6
129.07013	7.1
130.07671	0.7
131.04926	3.7
131.08571	8.5
132.05608	1.8
133.06516	6.4
133.10059	2.9
135.04352	0.9
135.08061	4.8
137.05977	48.3
137.09496	0.8
138.06255	1.8
139.05388	0.7
139.07469	2.8
141.06985	7.7
141.08969	0.7
142.07805	3.3
143.04855	1.5
143.08572	9.6
144.05646	0.8
145.06493	13.6
145.10127	4.5
146.07129	1.0
147.04317	1.3
147.08041	11.3
149.05978	5.2
149.09557	1.9
151.07538	9.3
152.06175	1.5
153.07005	4.1
154.07672	2.1
155.07222	0.7
155.08549	11.2
156.09280	1.3
157.06471	5.1
157.10139	5.3
158.07153	2.9
159.04410	1.9
159.06830	0.9
159.08054	13.2
159.11676	1.0
161.05962	4.4
161.09569	3.3
162.06688	1.6
163.07541	4.3
165.06990	5.9
165.09070	2.8
166.07668	2.8
167.07101	1.2
167.08470	7.7
168.05711	0.7
168.09207	2.1
169.06468	4.6
169.08525	3.8
169.10039	6.8
170.07202	1.8
171.06813	0.8
171.08054	11.0
171.11612	2.3
172.08789	1.5
173.06003	3.5
173.09634	9.8
175.07542	6.0
175.11104	0.9
177.08989	2.1
178.07788	4.2
179.06992	1.4
179.08505	8.8
180.07698	1.5
180.09180	2.4
181.06438	3.1
181.08582	0.8
181.10074	7.3
182.07161	2.8
182.10870	1.0
183.08037	9.6
183.11703	3.8
184.08693	2.1
185.05914	2.5
185.09596	7.3
186.10107	0.7
187.07516	4.9
187.11147	1.4
189.09084	3.8
190.07710	1.4
191.06966	1.4
191.08493	5.5
191.10143	1.1
192.09329	4.1
193.06432	1.5
193.08475	2.5
193.10060	10.3
194.07249	1.3
194.10820	2.1
195.08069	7.8
195.11699	5.9
196.08714	2.9
196.12244	0.8
197.05904	1.3
197.09612	7.2
197.13138	2.2
198.06602	0.8
198.10187	1.2
199.07579	4.2
199.11118	3.6
200.08260	1.1
201.09042	4.8
201.12733	1.0
202.07817	3.8
203.06851	1.2
203.08481	5.4
203.10437	1.3
204.09407	3.4
205.06448	0.7
205.08640	0.7
205.10133	6.5
206.06996	1.0
206.10808	2.0
207.07967	3.6
207.10112	1.5
207.11778	8.4
208.08778	2.9
208.12325	1.6
209.06129	0.9
209.09656	9.7
209.13216	3.5
210.10315	2.6
211.07614	3.6
211.11211	5.5
212.11604	1.0
213.09138	4.5
213.12634	1.7
213.16214	0.7
215.06813	1.1
215.08507	2.2
215.10526	1.5
216.09300	2.6
217.10185	9.4
218.07304	0.7
218.10928	3.8
219.08232	3.7
219.11708	7.4
220.08772	4.9
220.12169	1.1
221.09644	10.8
221.13219	4.6
222.10289	3.6
222.13768	0.9
223.07430	1.7
223.11241	7.1
223.14703	2.5
224.08321	1.3
224.11713	1.9
225.09233	5.0
225.12738	4.4
226.13409	1.1
227.08585	1.1
227.10606	3.2
227.14240	1.1
228.09242	1.4
229.10175	1.6
229.12154	1.5
230.10829	2.0
231.08037	1.5
231.11858	3.3
232.08743	2.3
232.12320	1.8
233.09656	6.7
233.13306	5.5
234.10283	2.9
234.13789	1.1
235.07542	1.0
235.09174	1.0
235.11215	18.5
235.14766	2.3
236.08331	1.0
236.11922	5.7
237.09113	4.8
237.12761	8.9
237.16220	1.4
238.09705	1.9
238.13242	1.3
239.10695	6.2
239.14290	1.9
241.10088	1.1
241.12227	1.7
242.10843	2.0
243.09814	1.5
243.11789	1.8
244.12471	0.9
245.09633	8.1
245.13190	2.8
246.10358	5.9
246.13873	1.1
247.11319	6.3
247.14880	5.3
248.08273	1.9
248.11867	1.7
249.09024	3.7
249.12875	6.2
249.16541	0.9
250.13370	1.9
251.10733	4.8
251.14282	6.2
252.14818	0.9
253.08250	0.9
253.10033	0.8
253.12279	8.7
253.14954	1.0
253.15767	0.9
254.12769	1.8
255.09949	0.9
255.13783	1.8
257.11566	2.1
257.13553	1.3
258.10260	0.9
259.11523	3.4
259.15097	1.0
260.11838	3.0
261.08926	1.1
261.12817	8.4
262.09927	0.9
262.13327	1.6
263.10724	12.5
263.14240	3.9
264.11499	3.6
265.08408	0.8
265.09586	0.7
265.12366	6.6
265.15463	4.0
267.10141	2.0
267.13708	3.0
269.12006	0.7
270.10211	1.0
271.14972	1.0
272.11752	0.9
273.12674	2.9
274.13510	1.6
275.10876	1.4
275.14233	9.5
276.14996	1.8
277.12186	5.8
277.15808	1.8
279.10596	1.3
279.13727	7.1
281.11682	10.4
281.15097	1.1
282.12668	0.9
283.13309	4.5
283.16656	1.4
285.13010	4.5
286.13409	1.4
287.10458	1.1
287.14090	1.4
289.12204	2.1
289.15637	1.1
291.13669	3.6
293.12183	0.8
293.15372	9.8
294.16135	1.2
295.13367	4.4
295.16641	0.7
297.11740	0.8
297.14926	1.8
297.18124	0.8
299.12701	9.2
303.13818	8.6
304.14304	1.2
305.08359	0.8
305.11688	3.8
305.14981	1.3
306.12311	1.1
307.13193	2.0
307.16653	1.0
309.15054	1.1
311.16595	3.5
313.10620	1.6
313.15814	1.0
317.15210	2.6
319.13333	1.1
319.16809	1.0
321.11108	1.2
321.14752	8.3
322.15585	0.8
323.12860	2.6
325.14279	2.8
327.17404	1.5
331.11691	3.7
333.14981	1.1
335.16464	1.6
337.14227	1.1
339.16071	5.2
341.14069	1.9
343.15555	1.3
345.14789	1.9
349.14227	0.9
349.18005	1.2
355.16711	2.2
363.15610	1.5
363.19727	1.5
365.17422	1.2
371.18427	1.2
373.17957	4.7
375.15930	1.7
377.17749	3.5
381.17047	3.3
382.17444	0.8
383.16406	2.7
391.18982	10.6
392.19421	1.5
393.16861	2.0
393.21259	1.3
395.18570	1.9
397.17706	1.0
399.18030	2.3
401.17471	14.9
402.17590	1.3
409.20193	8.8
415.19092	2.3
417.20840	1.9
419.18524	43.6
420.18933	4.7
421.16980	1.0
421.23843	1.7
425.17618	0.9
433.20071	2.5
435.22089	5.0
437.19598	100.0
438.19955	9.4
439.17380	1.2
443.18576	3.4
451.21277	1.6
453.22995	6.5
455.20615	2.4
461.19598	8.5
461.26114	1.1
479.20703	21.0
480.20938	1.9
497.21707	51.6
498.22110	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.9
55.05512	67.0
56.05848	1.1
65.03922	0.6
69.53204	3.3
83.04981	100.0
84.05322	2.0
87.04495	0.6
91.05466	1.1
93.07059	0.9
98.22675	1.1
104.06242	0.9
105.07030	0.9
112.12718	0.7
115.03989	1.1
115.05445	0.7
119.04935	2.1
119.08590	1.6
121.06537	1.0
132.05724	6.2
147.08060	2.0
149.05997	0.9
164.08224	0.6
177.05507	0.9
177.53171	0.5
179.10709	2.2
207.08130	1.1
207.10144	15.3
208.10567	0.8
210.06786	0.8
221.09654	0.7
223.11252	0.6
225.09138	0.6
232.09207	0.8
233.09769	1.0
234.06732	0.9
235.07565	1.0
236.08447	0.7
237.08975	0.6
238.06230	0.6
239.07080	0.6
247.07515	1.4
248.08241	0.7
249.09232	1.0
251.07175	0.9
261.08972	1.0
262.09909	3.1
263.07065	1.9
263.10730	1.3
264.07828	1.2
265.04959	1.3
265.08615	1.8
265.12091	0.9
266.05759	0.9
267.06546	1.0
269.08090	0.9
277.08670	3.2
278.09378	3.3
279.06540	1.1
279.10233	1.0
280.07175	0.7
281.08221	1.3
281.11713	0.7
283.06384	0.6
290.05884	0.8
290.08929	0.8
291.06616	1.3
291.09976	1.2
292.07297	0.6
292.10870	0.8
293.08112	1.5
293.11713	5.8
294.08932	1.0
294.12265	0.6
295.09708	1.2
295.13083	0.6
296.06586	0.7
297.07669	4.3
299.05600	0.7
299.09073	0.7
305.08133	2.8
305.11469	1.0
306.08832	1.8
307.09692	1.6
308.06732	1.0
308.10529	1.1
308.13931	3.8
309.07678	1.1
309.11249	2.9
311.05499	1.0
311.09302	1.5
312.09924	1.1
313.06964	2.1
313.10358	0.7
315.08542	1.1
319.09619	1.4
320.10324	2.6
321.07596	1.5
321.11237	6.2
322.08221	1.1
323.09152	3.0
323.12573	0.8
324.09760	1.1
325.07053	1.4
325.10635	0.9
326.07831	1.5
326.11517	4.4
327.08487	1.2
327.12173	1.0
328.09464	1.8
329.10162	2.5
333.07568	1.3
335.09131	1.2
335.12842	2.1
336.09857	0.9
336.13614	1.3
337.10620	3.5
338.11398	0.8
339.08566	1.0
339.12195	1.4
339.15826	1.0
340.09454	1.0
341.10159	0.7
342.11060	1.6
343.11862	1.4
349.07123	0.7
351.08630	0.7
351.12280	6.6
352.12985	1.0
353.10132	0.7
355.11746	0.8
357.13229	4.8
364.09305	0.8
365.10129	1.6
365.14096	0.8
366.10873	1.5
366.14661	17.2
367.11533	2.7
367.15448	18.8
368.15826	1.3
369.13168	2.8
370.13846	0.7
379.11722	2.8
382.14182	0.9
397.11942	5.7
397.17453	5.0
410.13589	1.5
415.17477	1.0
497.21866	12.4
498.21967	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03895	2.1
55.01807	2.4
55.05453	4.7
58.58517	0.7
65.03893	1.6
65.04192	0.7
67.05440	10.2
68.99747	0.8
69.03361	6.9
69.07005	2.0
71.04949	1.5
73.51787	0.6
77.03862	0.9
79.05494	14.9
79.05909	1.0
81.03343	2.2
81.07058	44.7
81.07507	2.7
82.07361	0.9
83.04982	4.3
91.05482	15.1
93.07041	8.8
95.04972	8.6
95.08609	28.1
97.02885	8.8
97.06471	2.5
99.04466	7.1
103.05402	2.8
105.07030	12.2
107.04868	2.4
107.08590	8.5
108.05540	0.7
109.02797	1.0
109.06522	27.6
109.10073	1.4
111.04417	3.4
111.08012	2.7
115.05441	4.3
116.06161	0.9
117.07024	7.1
117.54610	0.6
119.04858	2.1
119.08584	8.4
121.06499	6.2
121.10114	1.3
122.07264	0.7
123.04342	2.4
123.08074	17.1
125.05892	1.4
125.09618	1.0
128.06224	5.6
129.07013	7.1
130.07671	0.7
131.04926	3.7
131.08571	8.5
132.05608	1.8
133.06516	6.4
133.10059	2.9
135.04352	0.9
135.08061	4.8
137.05977	48.3
137.09496	0.8
138.06255	1.8
139.05388	0.7
139.07469	2.8
141.06985	7.7
141.08969	0.7
142.07805	3.3
143.04855	1.5
143.08572	9.6
144.05646	0.8
145.06493	13.6
145.10127	4.5
146.07129	1.0
147.04317	1.3
147.08041	11.3
149.05978	5.2
149.09557	1.9
151.07538	9.3
152.06175	1.5
153.07005	4.1
154.07672	2.1
155.07222	0.7
155.08549	11.2
156.09280	1.3
157.06471	5.1
157.10139	5.3
158.07153	2.9
159.04410	1.9
159.06830	0.9
159.08054	13.2
159.11676	1.0
161.05962	4.4
161.09569	3.3
162.06688	1.6
163.07541	4.3
165.06990	5.9
165.09070	2.8
166.07668	2.8
167.07101	1.2
167.08470	7.7
168.05711	0.7
168.09207	2.1
169.06468	4.6
169.08525	3.8
169.10039	6.8
170.07202	1.8
171.06813	0.8
171.08054	11.0
171.11612	2.3
172.08789	1.5
173.06003	3.5
173.09634	9.8
175.07542	6.0
175.11104	0.9
177.08989	2.1
178.07788	4.2
179.06992	1.4
179.08505	8.8
180.07698	1.5
180.09180	2.4
181.06438	3.1
181.08582	0.8
181.10074	7.3
182.07161	2.8
182.10870	1.0
183.08037	9.6
183.11703	3.8
184.08693	2.1
185.05914	2.5
185.09596	7.3
186.10107	0.7
187.07516	4.9
187.11147	1.4
189.09084	3.8
190.07710	1.4
191.06966	1.4
191.08493	5.5
191.10143	1.1
192.09329	4.1
193.06432	1.5
193.08475	2.5
193.10060	10.3
194.07249	1.3
194.10820	2.1
195.08069	7.8
195.11699	5.9
196.08714	2.9
196.12244	0.8
197.05904	1.3
197.09612	7.2
197.13138	2.2
198.06602	0.8
198.10187	1.2
199.07579	4.2
199.11118	3.6
200.08260	1.1
201.09042	4.8
201.12733	1.0
202.07817	3.8
203.06851	1.2
203.08481	5.4
203.10437	1.3
204.09407	3.4
205.06448	0.7
205.08640	0.7
205.10133	6.5
206.06996	1.0
206.10808	2.0
207.07967	3.6
207.10112	1.5
207.11778	8.4
208.08778	2.9
208.12325	1.6
209.06129	0.9
209.09656	9.7
209.13216	3.5
210.10315	2.6
211.07614	3.6
211.11211	5.5
212.11604	1.0
213.09138	4.5
213.12634	1.7
213.16214	0.7
215.06813	1.1
215.08507	2.2
215.10526	1.5
216.09300	2.6
217.10185	9.4
218.07304	0.7
218.10928	3.8
219.08232	3.7
219.11708	7.4
220.08772	4.9
220.12169	1.1
221.09644	10.8
221.13219	4.6
222.10289	3.6
222.13768	0.9
223.07430	1.7
223.11241	7.1
223.14703	2.5
224.08321	1.3
224.11713	1.9
225.09233	5.0
225.12738	4.4
226.13409	1.1
227.08585	1.1
227.10606	3.2
227.14240	1.1
228.09242	1.4
229.10175	1.6
229.12154	1.5
230.10829	2.0
231.08037	1.5
231.11858	3.3
232.08743	2.3
232.12320	1.8
233.09656	6.7
233.13306	5.5
234.10283	2.9
234.13789	1.1
235.07542	1.0
235.09174	1.0
235.11215	18.5
235.14766	2.3
236.08331	1.0
236.11922	5.7
237.09113	4.8
237.12761	8.9
237.16220	1.4
238.09705	1.9
238.13242	1.3
239.10695	6.2
239.14290	1.9
241.10088	1.1
241.12227	1.7
242.10843	2.0
243.09814	1.5
243.11789	1.8
244.12471	0.9
245.09633	8.1
245.13190	2.8
246.10358	5.9
246.13873	1.1
247.11319	6.3
247.14880	5.3
248.08273	1.9
248.11867	1.7
249.09024	3.7
249.12875	6.2
249.16541	0.9
250.13370	1.9
251.10733	4.8
251.14282	6.2
252.14818	0.9
253.08250	0.9
253.10033	0.8
253.12279	8.7
253.14954	1.0
253.15767	0.9
254.12769	1.8
255.09949	0.9
255.13783	1.8
257.11566	2.1
257.13553	1.3
258.10260	0.9
259.11523	3.4
259.15097	1.0
260.11838	3.0
261.08926	1.1
261.12817	8.4
262.09927	0.9
262.13327	1.6
263.10724	12.5
263.14240	3.9
264.11499	3.6
265.08408	0.8
265.09586	0.7
265.12366	6.6
265.15463	4.0
267.10141	2.0
267.13708	3.0
269.12006	0.7
270.10211	1.0
271.14972	1.0
272.11752	0.9
273.12674	2.9
274.13510	1.6
275.10876	1.4
275.14233	9.5
276.14996	1.8
277.12186	5.8
277.15808	1.8
279.10596	1.3
279.13727	7.1
281.11682	10.4
281.15097	1.1
282.12668	0.9
283.13309	4.5
283.16656	1.4
285.13010	4.5
286.13409	1.4
287.10458	1.1
287.14090	1.4
289.12204	2.1
289.15637	1.1
291.13669	3.6
293.12183	0.8
293.15372	9.8
294.16135	1.2
295.13367	4.4
295.16641	0.7
297.11740	0.8
297.14926	1.8
297.18124	0.8
299.12701	9.2
303.13818	8.6
304.14304	1.2
305.08359	0.8
305.11688	3.8
305.14981	1.3
306.12311	1.1
307.13193	2.0
307.16653	1.0
309.15054	1.1
311.16595	3.5
313.10620	1.6
313.15814	1.0
317.15210	2.6
319.13333	1.1
319.16809	1.0
321.11108	1.2
321.14752	8.3
322.15585	0.8
323.12860	2.6
325.14279	2.8
327.17404	1.5
331.11691	3.7
333.14981	1.1
335.16464	1.6
337.14227	1.1
339.16071	5.2
341.14069	1.9
343.15555	1.3
345.14789	1.9
349.14227	0.9
349.18005	1.2
355.16711	2.2
363.15610	1.5
363.19727	1.5
365.17422	1.2
371.18427	1.2
373.17957	4.7
375.15930	1.7
377.17749	3.5
381.17047	3.3
382.17444	0.8
383.16406	2.7
391.18982	10.6
392.19421	1.5
393.16861	2.0
393.21259	1.3
395.18570	1.9
397.17706	1.0
399.18030	2.3
401.17471	14.9
402.17590	1.3
409.20193	8.8
415.19092	2.3
417.20840	1.9
419.18524	43.6
420.18933	4.7
421.16980	1.0
421.23843	1.7
425.17618	0.9
433.20071	2.5
435.22089	5.0
437.19598	100.0
438.19955	9.4
439.17380	1.2
443.18576	3.4
451.21277	1.6
453.22995	6.5
455.20615	2.4
461.19598	8.5
461.26114	1.1
479.20703	21.0
480.20938	1.9
497.21707	51.6
498.22110	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.05513	68.4
56.05846	1.3
57.29403	0.5
63.14262	0.5
67.05510	1.2
69.07073	0.5
69.12086	1.8
69.12512	2.5
74.96809	0.5
79.05521	0.8
79.27711	0.5
81.07045	0.9
83.04983	100.0
84.05328	1.3
91.05488	0.9
93.07025	1.3
95.04986	0.8
95.08604	2.3
98.23408	0.9
105.07048	1.9
107.08607	1.4
109.06496	0.6
109.10159	0.8
117.06978	0.5
119.08604	2.7
121.10181	0.9
123.08099	0.7
131.08566	1.1
133.10178	1.4
143.08620	1.5
145.10191	1.4
157.10133	1.5
159.11809	0.8
161.09654	0.8
167.08551	0.7
169.10175	1.3
171.11678	1.1
173.13297	0.6
175.11221	0.5
177.12730	0.5
181.10118	0.6
183.11667	1.0
185.13272	0.6
187.11320	0.6
193.10211	0.8
195.11729	1.2
197.13234	0.7
207.11720	0.6
209.13239	0.9
211.14789	0.6
221.09709	0.6
221.13290	0.5
223.14972	0.7
233.09639	1.9
235.11043	0.5
247.07509	0.6
249.09270	1.4
249.16354	0.6
261.09180	3.0
262.09869	1.7
263.07089	0.6
263.10782	1.0
265.12360	0.7
267.13873	0.7
276.07855	1.2
277.08627	2.5
277.12195	0.9
277.33365	0.5
278.09531	2.2
280.07681	0.6
283.17181	0.7
289.08746	1.2
290.09399	0.7
291.07346	0.5
291.10016	2.5
292.10837	1.1
293.08417	1.1
293.11841	3.8
299.09271	0.6
304.10919	0.6
305.08197	2.4
305.11487	0.9
306.08875	1.2
307.09848	1.1
308.10577	1.0
308.14175	2.3
309.11246	0.6
319.09656	7.8
320.10333	3.6
321.07724	0.8
321.11096	4.3
323.12811	2.7
324.13452	1.0
326.11542	0.9
329.10355	1.7
334.11981	0.8
335.09106	0.8
335.12793	8.0
336.09799	1.4
336.13641	2.0
337.10681	0.8
339.12335	0.9
339.15979	1.5
343.11926	1.4
351.12271	12.8
352.12891	0.9
356.12421	0.6
357.13434	1.9
357.20572	0.6
365.13980	1.4
366.14615	30.3
367.11783	0.7
367.15375	13.2
368.15747	0.9
382.13995	3.2
385.16727	0.8
397.16476	16.6
398.17014	1.2
401.25012	0.7
415.17621	0.8
419.26346	0.7
455.21817	0.7
461.27002	1.4
479.28305	3.4
497.21768	18.3
497.29193	2.1
497.36450	2.3
498.22064	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01876	1.9
55.05517	1.5
57.07059	0.6
62.83410	0.4
65.03938	1.3
66.04713	0.6
67.05503	3.5
69.03424	10.0
69.07070	1.2
69.17646	3.5
71.01363	0.5
71.04982	0.5
76.80037	0.4
79.05495	16.6
81.03423	1.2
81.07059	93.1
82.07383	1.8
82.46605	0.4
83.04986	1.3
83.08667	0.5
85.02903	1.4
87.00796	0.5
91.05477	10.2
91.06006	0.8
93.07039	5.0
95.04977	5.1
95.08614	7.7
97.02906	1.2
97.06537	3.1
98.23368	0.9
99.04480	0.7
103.05496	1.0
104.60889	0.5
105.03405	1.0
105.07035	6.4
107.04969	1.5
107.08606	3.4
109.06522	32.7
109.10161	1.1
110.06855	1.0
111.04452	2.5
111.08088	1.3
113.02373	2.1
115.05479	2.1
116.06272	0.9
117.07018	3.1
119.04922	1.1
119.08585	5.4
121.06479	3.5
121.10143	1.3
122.10188	0.5
123.04442	2.0
123.08069	6.3
125.06030	0.7
125.09659	0.8
128.06250	1.9
129.07022	4.6
130.07796	0.8
131.04935	1.6
131.08572	6.4
132.05704	0.7
133.06499	2.5
133.10165	1.8
135.04407	0.6
135.08064	3.7
137.05978	100.0
138.06325	2.3
139.07549	2.3
141.06999	4.1
142.07849	2.3
143.08562	5.6
144.05710	1.0
145.06493	4.2
145.10129	3.8
147.04344	0.5
147.08051	7.9
148.08276	0.5
149.06007	1.5
149.09673	1.1
151.07550	2.2
152.06215	0.8
153.05637	0.5
153.06967	2.1
154.07788	1.3
155.07210	0.8
155.08549	6.2
156.09358	1.2
157.06493	2.3
157.10164	3.4
158.07310	0.9
159.08070	6.2
159.11703	1.5
160.08916	0.7
161.06026	1.6
161.09602	2.8
163.07536	3.8
165.05643	0.8
165.06964	3.6
165.09175	1.3
166.07779	2.2
167.07056	1.3
167.08585	4.0
168.09315	0.7
169.06503	1.5
169.08798	0.8
169.10135	4.5
170.07240	0.7
170.76884	0.5
171.08058	6.5
171.11708	1.5
172.08757	0.8
173.06047	1.4
173.09634	4.9
174.06755	0.7
175.07549	4.9
175.11235	1.1
177.05495	0.7
177.09076	1.8
178.07831	1.8
179.07126	0.7
179.08534	4.0
180.09348	1.7
181.06523	1.9
181.08557	0.8
181.10091	5.1
182.07243	1.3
183.08069	3.9
183.11702	2.4
184.08792	0.8
185.06001	1.7
185.09637	3.8
185.13191	0.7
187.07541	2.7
187.11182	1.7
188.08327	0.6
189.09146	2.2
190.07800	1.0
191.06996	2.0
191.08595	1.9
191.10713	0.8
192.09346	1.9
193.08612	1.1
193.10182	5.9
194.07326	0.9
194.10925	0.9
195.08072	4.9
195.11751	3.3
196.08783	1.8
197.06000	1.0
197.09618	4.6
197.13313	1.0
198.10385	0.8
199.07616	1.9
199.11145	3.5
201.09105	2.9
201.12682	0.6
202.07898	1.2
203.06949	0.9
203.08580	2.0
203.10732	1.3
204.09344	1.5
205.10144	3.1
206.07335	0.5
206.10938	1.7
207.08072	1.9
207.09900	0.8
207.11734	3.2
208.08870	1.4
208.12407	0.6
209.09631	6.9
209.13182	2.1
210.10426	2.0
211.07590	2.0
211.11165	3.7
211.14854	0.8
212.12169	0.4
213.09142	3.3
213.12740	1.4
215.08580	1.5
215.10735	2.9
216.09409	1.1
217.08337	0.5
217.10208	2.5
217.11996	0.6
218.10919	1.5
219.08069	1.8
219.09941	1.1
219.11899	3.2
220.08826	1.6
220.12524	1.1
221.07901	0.6
221.09674	5.9
221.13196	2.2
222.10381	1.7
222.13808	0.5
223.07613	1.2
223.11200	4.0
223.14748	1.3
224.08336	0.5
224.11807	1.2
225.09175	3.1
225.12642	2.6
226.09761	0.8
227.07114	0.7
227.10645	3.1
227.14206	1.0
228.11409	0.6
229.08340	1.1
229.10187	1.8
229.12213	0.9
230.10921	2.1
231.08157	0.8
231.11931	2.2
232.08867	1.4
232.12550	1.1
233.09677	2.1
233.13359	1.2
234.10432	1.9
235.07529	1.0
235.11223	6.7
235.14857	1.8
236.11974	3.1
237.09186	2.3
237.12717	4.4
237.16400	0.7
238.09930	1.1
238.13495	1.3
239.10619	2.5
239.14381	1.2
240.11371	0.7
241.12328	1.5
242.10905	0.7
243.11819	1.3
244.12469	0.8
245.09631	1.9
245.13329	2.5
246.10324	2.2
247.11200	4.3
247.14896	1.5
248.08273	0.8
248.11850	1.3
249.09087	1.3
249.13145	2.1
249.16379	0.5
250.09706	0.8
250.13394	0.8
251.10719	2.9
251.14316	1.3
252.11604	0.5
253.12260	4.2
253.15912	0.8
254.12988	2.2
255.13869	1.3
257.13287	0.8
258.10507	0.7
259.11163	2.0
259.14856	1.2
260.12015	1.4
261.09109	1.0
261.12833	2.8
262.09943	0.6
262.13333	1.0
263.10849	4.6
263.14160	4.2
264.11459	5.0
264.14346	0.6
265.09164	0.7
265.12280	5.6
265.15897	1.6
267.10147	2.0
267.13855	0.8
269.11801	1.6
271.14706	0.6
273.12744	3.6
274.13461	1.0
275.10959	0.6
275.14285	1.4
276.14825	0.5
277.12271	2.3
277.15546	0.8
278.12994	0.8
279.10391	1.0
279.13870	2.4
279.17300	0.7
280.14667	1.5
281.11780	4.7
281.15414	3.2
282.12549	4.2
283.13290	4.7
285.12662	1.6
285.15924	0.5
286.13486	0.5
287.10834	0.6
287.14227	1.5
289.12250	1.6
289.15897	1.3
291.10217	1.2
291.13821	5.2
293.15396	1.2
294.13736	0.5
295.13422	0.9
296.13962	0.5
297.11581	0.9
297.15186	0.6
298.15695	1.8
299.13168	0.6
300.13596	0.6
301.15765	0.4
303.13867	1.3
303.17267	0.8
305.11902	1.0
305.15274	1.5
306.12375	1.3
307.13397	1.5
307.17029	1.8
309.11493	0.9
309.14804	7.0
311.16769	0.6
313.15790	1.0
315.13959	1.0
317.15427	0.5
321.15137	2.3
323.12573	2.2
323.16724	0.6
324.13577	2.9
325.14328	1.3
325.17996	1.0
327.16824	1.1
329.15500	0.6
330.15945	0.7
331.13336	0.7
331.16946	1.0
333.14786	2.5
337.15802	1.0
339.15927	12.0
340.16092	0.7
341.14075	1.2
342.14627	2.8
343.15335	1.2
345.18555	1.3
347.20084	0.6
349.14392	0.5
349.18100	0.6
351.15897	2.5
355.16690	2.4
357.14667	0.5
357.18640	1.0
359.16122	0.8
363.15689	0.7
363.19748	1.1
369.17026	4.1
373.17957	4.2
375.15851	1.2
375.19861	0.9
377.17624	1.5
381.17142	1.5
383.16226	3.2
387.18454	1.0
389.21271	0.7
391.19147	5.4
392.19403	0.6
393.16608	0.8
395.18741	0.6
397.17990	1.1
399.18124	5.2
401.17444	10.2
407.22375	0.9
409.20135	1.4
415.19098	2.3
417.20743	2.5
419.18524	42.0
420.18808	4.3
425.17508	1.3
433.20013	2.2
435.21912	4.6
437.19580	51.3
438.19940	4.6
443.18423	2.9
451.21188	2.0
453.22537	3.5
461.19553	9.6
462.19861	0.9
479.20554	15.8
480.21097	1.8
497.21677	43.7
498.21957	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01871	1.8
55.05497	3.9
57.07073	1.0
57.39003	1.0
65.03944	2.1
67.05507	7.5
68.99757	1.0
69.03428	13.9
69.07065	2.5
70.21617	3.1
71.04991	2.4
79.05486	12.6
81.03410	2.2
81.07054	42.5
82.07378	1.0
83.04977	3.0
91.05474	15.5
93.07025	8.9
95.04964	7.4
95.08606	17.8
97.02898	5.2
97.06538	6.7
97.16591	1.0
98.11008	1.0
99.04446	5.5
103.05459	2.0
105.07030	15.4
107.04942	3.2
107.08587	6.7
109.06509	25.6
109.10164	2.0
111.04449	7.3
111.08072	6.3
115.05456	1.9
117.07025	8.4
119.04948	1.3
119.08579	12.8
121.06489	7.0
121.10130	3.7
123.04404	2.4
123.08059	11.6
125.05965	2.3
125.09620	1.6
127.03881	1.6
128.06224	5.0
129.07002	9.3
130.07718	1.3
131.04903	2.1
131.08566	11.4
133.02751	1.5
133.06511	4.8
133.10124	12.1
135.08060	4.6
137.05974	49.5
137.09575	1.7
138.06299	1.8
139.07538	6.6
141.06990	9.4
142.07774	3.4
143.08539	13.7
145.06483	8.8
145.10095	8.5
146.07234	1.0
147.08046	26.8
147.11679	1.7
149.05959	3.8
149.09641	2.7
151.07532	4.0
153.05673	0.9
153.06970	4.4
154.07751	3.2
155.08545	16.2
156.09094	1.7
157.06483	3.5
157.10130	8.0
158.07301	1.4
159.04425	1.0
159.08038	8.6
159.11699	3.4
161.06006	3.0
161.09598	16.4
163.07530	2.8
165.06953	7.8
165.09085	3.0
166.07742	3.5
167.07169	2.1
167.08554	8.1
168.09286	2.2
169.06473	3.0
169.08804	1.6
169.10138	9.6
170.07309	1.1
170.10875	1.0
171.08061	9.6
171.11697	5.9
172.08931	1.0
173.05930	2.2
173.09604	19.9
173.13318	1.4
175.07527	5.4
175.11176	2.7
177.09091	3.0
178.07767	4.2
179.08499	8.2
180.09329	4.5
181.06497	3.2
181.08588	1.5
181.10086	11.1
182.07240	1.5
182.10846	1.7
183.08067	9.1
183.11572	6.1
184.08731	1.7
185.09607	10.1
185.13155	2.5
186.10275	1.6
187.07538	6.0
187.11179	4.9
189.07417	1.8
189.09088	11.9
191.07033	1.4
191.08575	3.9
192.09309	3.9
193.08501	1.9
193.10139	10.0
194.07326	1.8
194.10796	2.7
195.08089	7.3
195.09872	1.5
195.11729	7.0
196.08789	1.5
196.12288	1.2
197.06003	1.1
197.09639	7.6
197.13248	4.4
199.07555	3.1
199.11235	5.1
199.12793	0.9
199.14803	1.6
201.09100	5.0
201.12685	2.8
202.07796	3.2
203.06990	2.7
203.08609	3.5
204.09349	3.4
205.08478	1.3
205.10164	7.5
206.10889	3.8
207.08147	2.2
207.10141	38.3
207.11754	7.2
208.08815	2.2
209.09636	7.8
209.13211	3.5
210.10307	2.2
211.07536	2.6
211.11169	7.8
211.14772	1.5
213.09071	4.2
213.12743	2.3
215.08549	3.1
215.10553	2.1
215.14360	1.9
216.09303	1.2
217.08334	1.4
217.10330	6.6
217.12135	2.1
218.10823	4.1
219.08003	4.1
219.11812	6.1
220.08781	3.0
221.09660	8.0
221.13245	4.4
222.10390	2.4
223.07591	2.8
223.11188	8.9
223.14774	3.3
224.11713	1.3
225.09108	3.7
225.12695	6.3
227.10703	3.1
227.14172	6.8
228.09309	1.6
229.10147	2.7
230.10876	2.9
231.08064	2.3
231.11731	3.8
232.08861	2.7
232.12402	1.9
233.09726	5.9
233.13249	4.5
234.10318	3.2
234.13887	1.1
235.11224	11.8
235.14827	2.4
236.11852	2.2
237.09111	4.1
237.12746	9.3
237.16313	2.1
238.13293	1.3
239.10652	4.4
239.14262	3.9
241.12242	2.9
242.10928	2.4
243.11757	2.5
243.13823	1.4
245.09718	6.2
245.13489	2.1
246.10384	4.1
247.11345	6.4
247.14757	3.8
249.09019	2.1
249.12753	3.8
249.16408	1.9
250.09735	0.9
250.13631	1.4
251.10725	5.5
251.14258	5.9
252.11378	2.4
253.12193	5.8
253.15990	1.2
255.13849	2.4
258.10175	1.8
258.14063	1.2
259.11072	3.8
260.11951	2.7
261.08917	1.9
261.12704	4.2
261.16367	1.1
262.09860	1.5
262.13025	1.1
263.10678	5.4
263.14224	3.3
264.11356	5.4
265.12238	6.7
265.15817	5.1
265.19379	1.1
266.12900	1.3
266.16406	1.2
267.10129	2.1
267.13785	3.3
267.17517	2.3
273.12668	3.6
274.13428	1.9
275.10901	1.6
275.14276	8.4
276.14978	1.3
277.12183	4.5
277.15649	2.2
279.10428	2.0
279.13763	3.7
281.11700	6.2
282.12506	1.3
283.13403	1.9
284.11877	1.7
285.12610	3.6
287.10706	1.9
287.14096	1.3
288.11435	1.4
289.12250	2.1
289.15744	2.8
291.13727	3.0
291.17090	1.2
293.15314	7.9
295.13269	3.0
295.16965	2.6
295.20599	3.0
297.15140	1.3
299.12836	2.4
302.13358	1.3
303.13571	7.6
305.11642	4.2
305.15085	2.0
307.13345	2.4
307.16660	1.3
311.16544	2.3
317.15225	4.2
321.14777	8.3
323.12781	2.3
323.16281	1.4
333.14969	1.4
335.16290	3.4
337.14499	1.1
339.15921	4.3
341.14011	3.4
345.14868	1.9
349.14267	1.9
351.15817	2.2
353.17459	1.5
355.16473	1.2
357.14819	1.6
363.15793	2.4
363.19650	2.3
371.22061	3.6
373.17926	3.4
375.15726	2.0
375.19788	1.5
377.17303	1.3
381.16940	3.5
383.16351	3.2
387.19684	1.7
389.17404	1.3
391.19031	10.8
393.20731	2.2
399.18140	5.2
401.17593	10.6
403.18854	1.7
405.20529	2.6
407.18243	1.6
409.19922	4.0
415.18991	3.9
417.20706	1.2
419.18478	32.5
420.18692	3.5
421.24005	23.4
422.24329	3.1
433.19806	7.5
435.21796	5.1
437.19583	100.0
438.19919	8.5
439.21252	1.3
443.18057	4.5
449.19324	3.4
451.20795	3.4
453.19031	3.9
455.20578	1.5
461.19455	14.0
467.20505	3.3
479.20468	23.1
480.20914	2.0
497.21274	26.2
498.22351	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01864	0.8
55.05504	0.5
58.55782	0.3
65.03950	0.9
67.05499	1.6
69.03040	0.5
69.03428	10.6
69.07061	0.6
69.39756	1.9
79.05497	18.2
80.05816	0.5
81.03419	0.5
81.07059	89.7
82.07391	0.9
83.04963	0.3
91.05479	5.9
91.06010	0.5
93.07042	2.4
95.04990	1.7
95.08611	1.3
97.02892	0.8
97.06593	0.3
97.10139	0.3
105.03527	0.3
105.07044	2.4
107.04960	0.9
107.08592	3.7
109.06522	24.2
109.10155	0.3
110.06859	0.3
111.04422	0.4
111.08086	0.7
115.05474	1.0
117.07034	2.1
119.04953	1.4
119.08571	2.1
121.05702	0.3
121.06486	1.6
121.10175	1.7
123.04430	1.2
123.08082	2.3
125.06015	0.6
128.06229	1.0
129.06999	2.1
131.04933	1.1
131.08565	2.0
133.06496	1.0
133.10143	1.0
135.04469	0.6
135.08058	4.7
135.11668	0.3
137.05981	100.0
138.06316	2.1
139.07436	0.4
141.06972	1.3
142.07802	0.8
143.08557	2.2
145.06483	3.7
145.10143	1.5
146.07184	0.6
147.08063	2.8
149.05995	0.9
149.09621	1.1
151.07552	1.0
153.05505	1.0
153.06966	0.3
155.07394	0.4
155.08485	1.8
156.09285	0.7
157.06491	1.3
157.10117	1.7
158.07297	1.1
159.08049	4.7
159.11650	0.5
160.08806	1.0
161.05984	1.8
161.09639	2.5
163.07550	3.5
165.06915	0.6
165.09125	0.4
166.07784	0.4
167.07042	1.0
167.08572	0.9
168.09377	0.4
169.06491	0.4
169.10135	1.4
171.08038	1.9
171.11723	1.4
172.08917	1.5
173.06046	1.0
173.09636	6.7
174.10388	0.6
175.07504	2.2
175.11189	1.3
176.11758	0.3
177.05571	0.4
177.09123	1.8
178.07755	0.3
179.08514	0.8
180.09360	0.7
181.10133	1.3
182.07268	0.5
183.08090	1.2
183.11653	0.6
184.08842	0.4
185.05997	0.4
185.09647	1.8
186.10378	0.7
187.07487	0.7
187.11177	1.3
188.08316	0.4
189.05472	0.3
189.09074	1.6
191.06955	2.1
192.09259	0.4
193.08614	0.4
193.10158	1.0
195.08110	0.9
195.11731	1.1
196.08783	0.5
197.09576	2.0
197.13240	0.8
198.10278	0.4
199.07588	1.4
199.11192	2.4
200.08231	0.3
201.09111	1.0
201.12843	0.5
203.07001	1.5
203.08824	0.3
203.10692	0.9
205.08490	0.6
205.10239	0.5
207.11673	0.6
208.08842	0.4
209.09749	1.4
209.13249	0.8
210.10333	0.4
211.07568	0.5
211.11160	2.2
213.09132	1.0
213.12755	1.8
214.13490	0.8
215.10597	0.8
215.14270	0.4
217.08514	2.3
217.12149	0.5
219.10033	1.9
220.10873	0.4
221.09605	0.8
221.13248	0.6
223.11163	1.4
225.09119	0.6
225.12781	1.3
227.10739	0.8
227.14313	1.0
229.08539	0.4
229.12227	0.4
231.10068	0.6
233.13312	0.4
235.11111	0.9
236.11954	0.4
237.08980	0.4
237.12746	1.4
239.10655	0.9
239.14305	0.6
240.15031	0.4
241.12238	0.7
241.15814	0.3
243.10031	0.6
243.13966	0.7
245.08040	0.5
245.11673	0.5
245.15407	0.3
247.11275	0.6
249.12520	0.6
250.13622	0.4
251.10693	0.5
251.14299	0.8
253.12183	0.5
255.13853	0.8
257.11639	0.7
258.12402	1.4
259.13208	1.5
263.10699	0.4
263.14200	0.5
265.12244	1.0
267.13776	0.5
268.14536	1.2
269.11746	1.0
269.15356	0.9
270.16147	0.5
271.13379	0.6
275.14072	0.4
277.15820	0.5
279.13748	1.0
279.17267	0.5
280.14517	0.6
281.11569	0.4
283.13184	1.3
285.14999	0.3
287.12738	0.8
295.13281	0.6
296.13986	0.9
297.14816	0.7
309.11319	0.3
311.12723	0.7
313.14557	0.4
314.14987	0.5
321.18448	0.5
323.16495	0.3
324.13489	1.8
325.14273	0.6
339.19424	0.5
341.13876	0.4
342.14600	1.0
351.15869	0.3
363.19885	0.4
367.19061	0.8
373.17801	0.5
375.19608	0.4
377.21060	0.7
379.22241	0.5
387.19498	1.5
389.20990	1.0
391.18939	0.5
397.18298	0.3
403.19022	0.7
405.20584	2.9
407.21814	1.4
415.19116	2.1
417.20657	0.8
419.18225	0.5
421.19760	0.6
423.21646	2.3
433.20102	8.1
435.21634	4.2
443.18539	0.3
451.21182	13.5
452.21237	1.2
461.19504	2.7
479.20621	4.6
480.20880	0.5
497.20847	0.4
497.28973	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.4
53.03963	1.3
55.01867	2.1
55.05509	2.2
57.07112	0.4
61.10997	0.4
63.24426	0.5
65.03957	1.0
66.04719	0.4
67.05505	7.2
67.05826	0.6
67.69225	0.4
68.99799	0.5
69.03421	5.1
69.03748	0.4
69.07092	1.3
71.01366	0.5
71.05017	0.7
72.99476	0.3
77.03954	0.5
79.05492	8.1
81.03442	0.9
81.07056	24.1
82.07409	0.6
83.04977	2.0
85.02939	0.5
85.10197	0.4
91.05480	11.0
93.07044	7.6
95.04969	6.1
95.08606	19.8
97.02892	8.2
97.06536	2.3
98.97594	0.7
99.03921	0.4
99.04458	2.3
103.05464	1.8
105.03415	0.9
105.04541	0.8
105.07023	10.3
107.04954	2.7
107.08586	5.3
109.02916	0.7
109.06517	16.6
109.10165	1.0
111.04433	2.7
111.08092	2.0
113.02391	0.8
115.05452	2.7
116.06286	0.7
117.07015	6.8
119.04945	2.0
119.08575	7.3
121.06502	6.2
121.10174	1.4
123.04420	2.2
123.07177	0.6
123.08070	13.0
125.06033	1.6
125.09664	1.4
127.03911	0.7
128.06209	4.3
129.07004	7.8
130.07808	1.2
131.04924	2.6
131.08569	7.6
131.09476	0.6
132.05734	0.7
133.02850	1.9
133.06487	7.2
133.10126	3.1
135.04462	0.9
135.08049	3.9
137.05974	24.8
137.09612	0.9
138.06499	0.4
139.07509	2.7
141.05876	0.6
141.06967	5.4
142.07813	4.2
143.04900	1.9
143.08557	8.6
143.09628	0.5
144.05708	0.8
144.09351	0.5
145.06483	11.5
145.07578	0.6
145.10129	6.2
146.07283	1.5
147.04448	1.3
147.08043	8.2
147.11700	1.0
149.05977	5.4
149.09615	2.3
151.03879	0.4
151.07539	6.6
152.06252	0.8
153.07027	2.7
154.07788	1.7
155.07204	0.8
155.08545	9.7
156.09328	1.7
157.06496	3.5
157.10133	6.2
158.07262	1.8
158.10741	0.4
159.04433	0.8
159.08044	9.1
159.09334	0.5
159.11740	1.6
160.08765	1.7
161.05984	3.3
161.09634	3.9
162.06682	0.5
163.07542	3.5
163.11186	0.5
165.05511	1.1
165.07045	3.7
165.09192	1.7
166.07738	2.3
167.07066	1.9
167.08603	3.8
168.05711	0.4
168.09369	1.7
169.06435	2.4
169.08702	0.8
169.10103	4.7
170.07289	1.6
171.08040	8.2
171.09404	0.5
171.11679	2.5
172.08771	1.0
173.05978	3.0
173.09607	7.5
173.13191	0.5
174.10413	0.6
175.07550	4.6
175.11179	2.3
177.05544	0.7
177.09058	3.1
178.07735	2.4
179.07076	1.1
179.08591	4.0
180.09332	2.3
181.06531	1.8
181.10069	5.6
182.07304	1.3
182.10893	0.8
183.08069	5.4
183.10422	0.4
183.11642	2.2
184.08826	2.9
185.06027	1.5
185.09605	7.1
185.13240	0.5
186.10516	1.0
187.07571	4.8
187.11145	4.1
187.12453	0.4
188.08322	1.3
188.12029	0.7
189.09091	3.5
189.12744	0.9
190.07909	0.9
191.07062	0.8
191.08632	2.0
191.10736	1.5
192.09329	3.1
193.08589	2.5
193.10187	5.0
194.07275	0.6
194.10944	1.4
195.06570	0.7
195.08075	3.7
195.11731	3.2
196.08777	2.1
196.12448	0.5
197.06105	0.7
197.09607	4.4
197.13301	1.4
198.06848	0.4
198.10414	0.7
199.07596	2.4
199.09512	0.6
199.11180	3.7
201.09129	3.2
201.12816	1.1
202.07742	1.8
203.06969	0.7
203.08627	2.5
203.10715	2.1
204.09364	1.4
205.08502	0.7
205.10153	3.0
206.07318	0.4
206.10959	1.3
207.08098	1.5
207.10040	0.8
207.11714	5.2
208.08800	1.1
208.12428	1.1
209.09660	4.4
209.13231	2.2
210.10405	1.5
211.07680	2.0
211.11205	5.4
211.14832	0.6
212.11932	0.7
213.09109	2.1
213.12782	1.4
214.09892	0.4
215.08640	1.2
215.10716	1.4
216.09399	1.0
217.08536	1.0
217.10188	3.8
217.12320	1.4
218.07306	0.6
218.10927	2.3
219.08124	1.6
219.10117	1.9
219.11966	2.6
220.08838	2.3
220.12407	0.4
221.09592	4.0
221.13121	1.8
222.10362	2.1
223.07570	1.3
223.11191	4.9
223.14818	1.6
224.11871	1.0
225.09117	2.6
225.12660	3.0
226.09776	0.4
227.10666	2.7
227.14331	0.8
229.08351	0.8
229.10193	1.2
229.12289	0.6
230.11006	0.5
230.39253	0.5
231.08109	0.6
231.09955	0.8
231.11795	1.2
232.08884	0.9
232.12515	1.5
233.09796	2.1
233.13420	2.0
234.10417	1.6
234.14046	0.7
235.07437	1.0
235.11319	10.6
235.14912	1.1
236.11967	2.4
237.09120	2.5
237.12732	4.0
237.16414	0.9
238.09850	1.0
238.13487	0.5
239.10710	3.3
239.14297	0.9
241.08589	0.8
241.12387	1.0
243.09862	2.1
245.09587	1.9
245.11768	1.7
246.10394	1.8
246.14053	0.6
247.11328	2.6
247.14786	2.1
248.08363	0.9
248.11835	0.6
249.09090	0.8
249.12981	2.9
250.09984	0.7
250.13544	1.2
251.10707	3.3
251.14243	3.5
252.11436	0.7
252.14888	0.6
253.08339	0.8
253.12216	7.0
254.12949	1.3
255.10216	1.1
255.13902	1.1
257.11487	0.7
257.13614	0.6
259.09348	0.8
259.11475	1.1
260.11996	1.0
261.08954	0.8
261.12918	2.7
262.09952	0.4
262.13455	0.7
263.10629	6.4
263.14331	1.5
264.11450	1.3
265.12393	3.0
265.15750	3.1
266.13077	0.5
266.16446	0.4
267.09866	0.8
267.13861	2.3
269.11954	0.7
269.15518	0.8
271.09641	0.4
271.13379	0.6
273.12674	0.7
274.13318	0.6
275.14371	3.6
276.15073	1.1
277.12357	2.2
277.15295	0.4
279.13837	3.0
281.11694	5.7
281.15054	0.7
282.12326	0.6
283.10406	0.4
283.13345	2.7
283.16446	0.6
285.12537	0.7
289.12216	0.6
289.15744	0.8
291.13766	1.4
293.12167	0.7
293.15369	4.4
294.16013	0.8
295.13281	2.7
295.16281	0.8
297.11627	0.8
297.14859	1.3
299.12747	9.0
301.12085	0.4
303.13907	2.2
303.17249	0.5
304.14856	0.5
305.11804	1.2
307.13342	0.7
309.14749	0.7
311.16360	3.5
313.10800	0.6
313.15695	1.0
315.13812	0.4
317.10342	0.7
317.14294	0.4
319.13239	0.6
319.16910	0.6
321.14862	3.9
321.18237	0.6
322.15274	0.6
323.12936	0.8
325.14581	0.5
331.13370	0.4
331.17059	0.6
333.14966	0.8
335.16495	1.1
339.15964	4.8
341.14423	0.7
343.15750	0.6
345.18564	0.6
349.14130	0.6
349.17935	0.5
351.16000	0.8
353.17334	0.7
355.16431	0.8
359.16116	0.9
363.15649	0.7
363.19540	1.1
365.17355	0.5
373.17886	2.6
375.15884	1.0
377.17542	0.7
381.16733	2.2
383.16342	0.8
387.19724	0.6
391.19028	6.3
392.19501	0.5
393.16879	1.7
395.18509	1.2
399.18112	2.3
401.17368	5.3
405.20474	0.8
407.17853	0.8
407.22205	1.3
409.20117	7.8
415.18973	1.7
417.20471	0.8
419.18484	21.3
420.18921	1.8
421.19992	3.6
422.20615	0.9
423.21631	0.6
425.18280	0.4
425.22961	2.3
433.20111	5.0
434.20840	0.6
435.21771	2.6
437.19556	100.0
438.19894	7.8
443.18445	2.1
451.21149	3.4
453.22656	1.7
455.20682	2.9
461.19525	5.0
462.19946	0.6
469.22189	0.9
479.20609	11.6
480.20801	0.9
497.21606	23.8
498.22028	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80826	0.6
53.03945	1.5
55.01871	2.4
55.05502	1.8
61.75890	0.5
65.03951	1.0
67.05507	5.5
69.03424	3.8
69.07062	1.0
69.36193	3.2
79.05492	8.6
81.03415	1.3
81.07060	28.4
82.07394	0.7
83.04989	1.7
83.67783	0.6
91.05486	9.3
93.07039	6.9
95.04963	4.0
95.08611	18.9
97.02905	5.4
97.06555	3.4
98.97598	1.0
99.04447	3.0
103.05483	0.8
105.07027	8.9
107.04967	2.2
107.08610	4.9
109.06520	16.2
111.04446	2.4
111.08088	2.0
115.05485	2.1
116.06283	0.6
117.07019	3.8
119.04941	1.7
119.08585	5.9
121.06506	5.3
121.10139	1.0
123.04426	1.1
123.08074	12.7
125.05975	1.4
127.03870	0.9
128.06239	2.7
129.07001	5.1
131.04956	2.7
131.08588	5.7
133.02892	1.0
133.06494	6.6
133.10161	2.4
135.08057	3.4
137.05980	32.6
139.07565	1.8
141.06995	4.1
142.07802	2.5
143.04948	1.0
143.08621	4.7
144.05725	1.8
145.06497	10.4
145.10156	4.2
147.08052	7.5
149.05972	4.5
149.09618	1.3
151.07535	7.0
153.06990	1.9
154.07817	1.8
155.08569	8.2
156.09348	1.5
157.06471	2.9
157.10120	3.4
158.07230	1.9
159.04478	1.1
159.08052	9.3
159.11647	1.0
160.08751	0.7
161.06006	3.7
161.09630	2.7
162.06735	1.5
163.07582	2.2
165.05775	0.9
165.07013	4.1
165.09171	1.1
166.07826	1.7
167.07062	1.7
167.08578	5.1
168.09334	0.8
169.06514	2.0
169.10106	4.5
170.07225	0.9
171.08043	8.4
171.11879	0.7
172.08789	1.1
173.06046	2.2
173.09625	6.7
175.07547	3.3
175.11201	1.2
177.09148	2.0
178.07809	3.1
179.07118	1.0
179.08549	5.2
180.09354	1.1
181.06529	2.2
181.10078	4.7
182.07344	0.8
182.10835	1.1
183.08075	5.5
183.11726	2.7
184.08821	3.0
185.06020	1.3
185.09613	5.9
187.07585	4.3
187.11206	1.0
189.05568	0.7
189.07307	0.6
189.09149	2.6
190.07867	1.8
191.07002	1.2
191.08583	2.6
192.09308	3.8
193.08577	1.6
193.10167	5.8
194.07368	0.9
194.10800	1.3
195.06528	1.0
195.08093	4.0
195.11690	3.7
196.08856	2.2
197.06105	1.2
197.09586	4.3
197.13329	1.4
198.06844	0.8
198.10356	0.7
199.07567	2.1
199.11227	1.7
200.08466	0.8
201.09116	3.1
201.12613	0.7
202.07803	2.3
203.08643	2.6
203.10593	1.3
204.09364	2.2
205.06636	0.6
205.10292	2.8
206.10957	1.1
207.08092	1.7
207.10022	0.7
207.11751	5.9
208.08839	2.2
208.12398	1.2
209.09630	6.4
209.13266	2.0
210.10406	1.3
211.07614	1.6
211.11185	4.9
213.09149	2.5
213.12726	1.1
215.08575	1.8
215.10611	1.0
216.09254	1.1
217.08534	0.8
217.10226	4.4
218.10869	2.0
219.08073	2.2
219.11801	3.0
220.08842	2.8
221.09624	5.6
221.13274	1.7
222.10428	2.2
223.07545	2.2
223.11206	4.7
223.14809	1.1
224.11884	0.7
225.09126	2.5
225.12740	3.8
226.13264	0.7
227.10629	1.6
227.14281	1.5
228.09431	0.9
229.10258	1.3
229.12300	1.0
230.10936	0.7
231.08054	1.3
231.11717	1.7
232.12529	1.3
233.09708	2.8
233.13258	2.0
234.10390	1.5
235.11195	12.7
235.14838	1.2
236.11940	2.7
237.09206	3.4
237.12788	5.4
237.16374	0.7
238.09769	0.8
238.13486	0.7
239.10663	3.4
239.14270	1.2
241.12302	1.1
242.10939	1.4
243.10039	1.4
245.09680	4.6
245.13332	1.0
246.10388	2.8
247.11342	3.1
247.14900	2.1
248.08371	1.2
248.11954	1.1
249.09052	1.5
249.13112	3.5
250.13690	1.4
251.10704	3.0
251.14342	4.4
253.08630	0.7
253.09755	0.7
253.12260	6.5
254.13062	0.8
255.09923	1.2
255.13838	1.3
257.13507	0.8
259.11206	2.0
260.12012	1.8
261.12991	3.0
262.13489	0.7
263.10696	8.3
263.14380	1.3
264.11453	2.2
265.12497	2.9
265.15811	3.8
267.10165	0.6
267.13846	3.5
269.11951	0.8
270.10239	0.9
273.12787	1.5
275.14282	5.4
277.12296	2.6
277.15793	1.4
278.13000	1.2
279.10675	0.8
279.13815	3.3
281.11771	6.9
281.14954	1.2
283.10394	1.0
283.13351	3.4
283.16684	1.1
285.12817	1.2
287.10522	0.8
288.11401	0.9
289.15735	0.7
291.13852	1.5
293.12103	1.2
293.15375	6.5
295.13336	3.4
295.16602	1.0
297.11630	0.8
299.12781	10.2
301.15909	1.0
303.10840	0.8
303.13760	3.5
305.11758	1.9
305.15024	0.9
306.12729	0.7
307.13272	2.1
307.16653	0.8
309.11563	0.7
309.15167	0.8
311.16473	2.8
313.15848	0.7
317.15582	0.9
319.13422	0.8
319.16779	0.9
321.14877	6.1
323.12802	1.6
325.14282	2.0
335.12775	0.7
335.16559	1.7
337.14230	0.9
337.18079	0.7
339.16055	4.6
341.14035	1.4
343.15549	1.1
349.14493	0.9
349.18094	1.0
363.15927	1.2
373.17923	3.4
377.17554	1.4
381.16943	2.5
383.16461	1.4
391.19012	7.1
392.19720	0.9
393.16980	1.8
393.21228	0.9
395.18530	1.4
399.18082	2.4
401.17404	5.8
407.18054	0.9
409.20035	6.1
415.19186	0.9
417.21033	0.8
419.18536	26.1
420.18878	2.1
433.20096	2.1
435.21652	2.3
437.19611	100.0
438.19980	8.6
443.18677	1.5
451.21048	1.7
453.22678	2.8
455.20459	2.4
461.19812	5.1
479.20627	13.2
497.21536	17.9
498.22046	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.4
53.03938	1.2
55.01878	0.5
55.05507	0.7
65.03943	1.0
66.04711	0.3
67.05508	2.1
69.03427	10.5
69.07077	0.3
71.31581	0.3
79.05496	16.0
81.03429	0.5
81.07059	91.4
82.07382	1.4
83.04978	0.4
85.02900	0.3
85.06531	0.3
91.05486	5.7
93.07053	2.1
95.04971	1.6
95.08596	1.1
96.05307	0.2
97.02892	0.7
97.06502	0.6
98.76456	0.3
98.97552	0.4
103.05464	0.5
105.07027	3.4
107.04936	1.1
107.08600	3.5
109.06522	26.4
109.10150	0.3
110.06835	0.4
111.04444	0.6
111.08067	0.5
115.05455	1.0
117.07018	2.2
119.04940	1.5
119.08587	2.1
121.06513	1.3
121.10155	1.6
123.04478	1.2
123.08066	2.1
125.05980	0.6
128.06209	0.9
129.07014	2.5
130.07800	0.4
131.04961	1.1
131.08572	2.3
133.06474	1.0
133.10139	0.8
135.04343	0.3
135.08055	5.1
137.05978	100.0
138.06294	2.5
139.07530	0.6
141.06987	1.1
142.07782	0.7
142.48312	0.3
143.08565	2.5
144.05690	0.4
144.09282	0.3
145.06491	3.5
145.10100	1.8
146.07246	0.7
147.08064	3.1
147.11736	0.5
149.05995	0.6
149.09633	1.1
151.07521	1.0
153.05450	0.8
153.06943	0.7
154.07806	0.4
155.08549	1.7
156.09346	0.4
157.06461	0.8
157.10123	1.6
158.07280	1.0
159.08066	4.7
159.11673	0.5
160.08780	0.7
161.06029	1.6
161.09663	2.0
163.07564	3.5
163.11186	0.4
165.05626	0.3
165.07022	0.7
167.07018	1.1
167.08417	0.5
168.09334	0.3
169.06422	0.4
169.10117	1.0
171.08055	1.6
171.11655	0.8
172.08800	1.5
173.05975	0.9
173.09628	6.2
174.06699	0.3
174.10420	0.5
175.07564	2.4
175.11168	1.5
177.09155	1.9
178.07831	0.3
179.07132	0.5
179.08545	0.9
180.09312	0.5
181.06508	0.2
181.10126	1.3
183.08023	1.1
183.11646	0.8
184.08791	0.3
185.06007	0.6
185.08228	0.2
185.09593	1.7
185.13210	0.5
186.10356	0.6
187.07594	1.2
187.11194	1.1
188.08234	0.3
189.09047	1.3
189.12645	0.4
190.09862	0.3
191.07037	1.8
191.08571	0.3
192.07396	0.2
192.09290	0.3
193.08560	0.3
193.10112	1.1
195.08051	0.6
195.11659	1.5
196.08800	0.5
197.09578	1.8
197.13193	0.5
198.10326	0.5
199.07526	0.8
199.11148	2.3
200.08238	0.2
200.11954	0.3
201.09094	1.0
201.12694	0.5
203.06970	0.7
203.08913	0.3
203.10728	0.8
205.08499	0.5
205.10204	0.6
206.07222	0.3
206.10773	0.3
207.08128	0.4
207.11694	0.7
208.08827	0.4
209.09622	1.4
209.13297	0.5
211.07631	0.4
211.11201	1.4
212.11766	0.3
213.09076	0.9
213.12766	1.8
214.13521	0.7
215.06892	0.3
215.10657	0.7
215.14171	0.4
217.08549	1.8
219.10117	1.8
219.11894	0.3
221.09576	0.9
221.13280	0.3
222.10367	0.4
223.11185	1.1
225.09097	0.5
225.12744	1.2
227.10674	0.8
227.14272	0.6
229.12248	0.5
231.10123	0.7
235.11107	1.0
235.14696	0.5
236.11745	0.4
237.09032	0.4
237.12817	1.4
239.10548	0.6
239.14352	0.6
241.12102	1.0
243.10065	0.6
243.13779	0.6
244.10851	0.3
245.08070	0.3
245.11629	0.7
247.11186	0.4
249.12756	0.3
250.13618	0.3
251.10585	0.4
251.14391	0.8
252.14996	0.3
253.12184	1.0
255.10291	0.4
255.13785	0.9
257.11456	0.4
258.12369	1.1
259.09998	0.2
259.10489	0.2
259.13211	1.3
261.12714	0.4
263.10663	0.5
263.14255	0.4
265.12192	1.2
265.15894	0.3
267.13672	0.7
268.14517	0.7
269.11713	0.7
269.15244	0.8
271.13300	0.7
275.14227	0.3
277.12161	0.3
278.12988	0.3
279.13782	0.8
281.11688	0.6
283.13235	1.0
287.12766	0.4
295.13269	0.7
296.13965	1.0
297.14853	1.0
298.15598	0.5
301.14859	0.2
303.13272	0.2
309.11209	0.3
311.12601	0.4
313.14621	0.3
314.14963	0.3
321.18561	0.3
323.16306	0.3
324.13559	1.4
325.14264	0.6
329.18988	0.3
339.19406	0.4
341.13843	0.4
342.14709	1.1
355.16495	0.2
361.21381	0.3
367.18881	0.5
369.17645	0.4
373.17691	0.7
375.19586	0.7
377.21210	0.7
379.22867	0.2
387.19403	1.0
389.21109	0.7
397.17587	0.3
401.16913	0.3
403.18890	0.6
405.16025	0.3
405.20593	3.3
407.22202	1.2
415.18948	1.8
417.20575	0.9
421.19806	0.5
423.21625	2.5
433.20090	7.0
434.20377	0.6
435.21606	3.7
443.18228	0.7
451.21176	12.1
452.21582	1.2
461.19592	2.5
479.20538	4.1
505.12152	0.3
506.81473	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35480	0.7
53.69365	0.8
55.05497	2.3
65.03928	1.0
67.01861	1.1
67.05499	3.8
69.03417	2.5
69.07051	2.0
71.04976	1.0
71.30540	1.3
79.05505	4.7
81.07053	7.1
83.04966	2.0
91.05481	11.1
93.07056	3.8
95.04970	2.9
95.08605	8.0
97.02888	2.8
97.06502	2.3
97.30791	0.7
99.04443	2.4
103.05474	1.1
105.07039	12.0
107.04951	1.2
107.08580	4.3
109.06522	12.0
109.10155	2.3
111.04455	5.7
111.08080	2.1
115.05438	1.7
117.07022	7.6
119.08583	13.4
121.06508	0.9
121.10147	1.5
123.08045	4.0
128.06218	2.8
129.07025	5.7
131.08569	7.6
133.06509	2.1
133.10126	26.6
135.08061	2.4
137.05975	7.4
137.09569	1.9
141.06984	3.5
142.07777	2.4
143.08565	9.3
145.06523	2.1
145.10097	7.2
146.07269	1.1
147.08043	47.2
147.11690	1.1
148.08380	1.0
149.09602	1.8
153.06865	1.0
154.07791	1.1
155.08560	5.6
156.09325	1.5
157.06497	1.0
157.10133	6.6
159.08066	2.4
159.11681	3.4
161.09619	33.6
162.10004	1.6
165.07018	1.3
165.09148	3.8
166.07767	1.1
167.07254	1.0
167.08572	4.2
169.10123	6.1
170.17401	0.8
171.07997	2.1
171.11691	6.8
173.09660	1.8
173.13295	2.7
175.11227	1.5
179.08592	2.5
180.09366	1.0
181.10155	5.5
182.10909	1.8
183.11681	5.0
184.12416	1.4
185.09666	1.8
185.13257	1.9
187.11086	2.0
189.09102	17.6
192.09346	2.2
193.10114	4.4
194.10808	1.5
195.10187	1.4
195.11696	5.5
196.12523	0.9
197.09689	2.2
197.13266	4.0
199.11154	3.3
199.14824	2.9
200.11697	1.4
201.12723	3.9
202.13437	1.4
205.10237	1.7
206.10797	1.2
207.10147	100.0
208.10556	3.0
209.09659	1.3
209.13272	5.1
211.11186	2.4
211.14760	2.5
213.12643	2.4
215.14265	2.0
219.11668	2.3
219.13701	0.8
221.09729	0.9
221.13271	3.6
223.11125	1.3
223.14819	2.1
225.12657	4.0
225.16290	1.2
227.10770	1.9
227.14296	16.8
228.14993	2.6
233.13347	1.6
235.14825	1.4
237.12799	1.6
237.16406	2.3
239.14316	1.8
239.17928	1.1
245.13326	1.1
247.14824	2.8
248.11685	0.9
249.12759	1.1
249.16176	1.6
251.14359	2.1
251.17935	1.5
257.15369	1.5
259.14642	0.9
261.16385	1.2
263.14380	1.2
263.17987	0.8
265.15811	2.4
267.13736	1.5
267.17365	3.8
267.20984	0.8
275.14612	1.1
275.17920	1.4
276.15060	0.9
277.19522	3.0
279.17490	1.5
281.19019	0.9
285.14835	3.0
287.17932	1.7
295.20480	2.9
297.14868	1.7
299.16522	1.3
303.15787	5.0
305.18964	2.9
307.91818	0.9
319.20508	1.4
323.19958	3.2
363.19611	1.1
371.22250	2.2
393.24014	2.1
403.22723	1.9
421.23721	61.5
422.24228	11.8
423.24677	1.3
433.24026	4.9
435.25046	2.2
437.19473	0.9
451.24884	4.5
461.23346	1.6
479.24127	2.4
497.25562	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01874	0.9
55.05518	2.2
55.85255	0.4
56.96561	0.9
57.03421	1.4
65.03925	0.8
67.05499	3.9
69.03429	3.1
69.07057	1.4
69.35743	2.1
69.36149	0.9
71.04993	2.7
79.05487	4.4
81.03410	0.9
81.07053	8.3
81.60824	0.4
82.63935	0.5
83.04962	2.1
83.08604	0.7
85.06538	1.1
91.05473	7.9
93.07038	6.2
95.04965	11.1
95.08607	4.9
97.02856	2.0
97.06522	3.4
98.22621	0.8
98.97585	2.1
99.04460	8.9
99.97083	0.5
103.05473	0.6
104.80952	0.5
105.07029	6.7
107.04940	2.2
107.08595	4.2
109.05770	1.1
109.06514	20.1
109.10159	2.0
110.06840	0.6
110.97560	0.5
111.04461	1.3
111.07440	0.4
111.08082	2.5
115.05476	0.9
117.07014	3.8
119.04924	0.4
119.08582	6.9
121.06503	7.0
121.10107	2.8
123.04404	0.9
123.08064	19.5
123.11715	1.0
125.05998	3.9
125.09587	0.9
127.03894	2.7
128.06192	2.2
129.06979	4.5
129.80528	0.4
130.07788	0.8
131.05019	0.5
131.08574	7.2
133.06502	3.2
133.10133	3.5
135.08044	3.1
135.11687	1.4
137.05980	7.1
137.09631	1.9
139.07544	0.5
139.23366	0.4
141.06989	4.4
142.07773	2.5
143.00090	0.5
143.08560	11.3
144.09329	0.6
145.06471	3.5
145.10120	7.1
147.08054	7.2
147.11682	4.1
149.05962	1.0
149.09598	2.0
151.07558	1.4
152.06210	0.6
153.05630	1.0
153.07005	1.7
154.07732	1.2
155.07155	0.9
155.08534	6.5
156.09341	3.2
157.06523	0.6
157.10132	8.0
158.07202	0.5
158.10809	0.7
159.08067	8.4
159.11678	5.2
160.08716	0.6
161.05998	0.5
161.09593	3.8
161.13223	0.9
163.07559	0.8
163.11215	0.9
165.06961	2.2
166.07764	2.0
167.07051	2.0
167.08577	4.8
168.09383	2.1
169.08698	0.9
169.10121	12.9
170.10846	1.8
171.08044	1.4
171.11693	12.0
171.13091	0.9
172.12018	0.4
173.09641	5.1
173.13232	3.8
175.07512	0.8
175.11214	3.2
177.09206	0.5
178.07780	1.2
179.08537	4.2
180.09305	2.9
181.08626	0.6
181.10101	9.0
182.10825	2.2
183.08083	1.0
183.11696	6.5
184.12416	0.8
185.09586	2.4
185.13251	6.3
187.11234	2.0
187.14824	2.1
189.09114	0.7
189.12767	1.0
191.08562	1.5
192.09358	2.1
193.08556	0.9
193.10124	5.9
194.10907	1.9
195.08018	1.5
195.10017	0.9
195.11684	8.1
196.12404	1.0
197.09621	2.5
197.13260	5.9
198.10268	0.6
199.11160	3.5
199.14877	2.0
201.09059	0.5
201.12730	1.4
203.08539	1.4
203.10471	0.6
204.09319	1.0
205.10199	3.6
206.10860	2.4
207.09964	0.5
207.11703	8.7
208.12354	2.2
209.09666	1.6
209.13240	9.5
210.10361	0.5
210.13948	1.9
211.11209	2.4
211.14751	2.3
212.11786	0.5
213.09143	0.6
213.12746	1.7
215.08647	0.6
215.14314	0.7
216.09392	0.8
217.10120	1.9
217.12045	0.5
218.10880	3.0
219.01759	0.8
219.11754	4.7
220.12381	2.2
221.09804	0.8
221.13231	6.5
222.13997	1.4
223.11275	3.4
223.14836	7.2
224.11847	0.6
224.15450	0.8
225.12743	2.0
225.16254	2.1
227.10730	0.9
227.14204	1.1
229.10133	0.6
229.12170	0.8
230.10869	1.1
231.11682	2.2
232.12393	1.5
233.09668	0.5
233.13260	8.0
234.10361	0.8
234.14008	1.9
235.11119	1.9
235.14784	6.3
236.11891	1.2
236.15451	1.2
237.02721	1.3
237.12810	2.3
237.16351	5.8
238.17012	0.8
239.14325	1.3
239.17963	0.9
239.20096	0.5
241.12225	0.7
241.15865	0.5
243.11679	0.7
244.12567	1.0
245.13271	3.5
246.14069	1.2
247.11217	1.1
247.14926	2.2
248.15561	0.7
249.12779	3.5
249.16385	3.3
250.13501	0.9
251.14307	26.3
251.17854	1.5
252.14941	3.1
253.12189	0.6
253.13145	0.6
253.15862	6.4
253.18378	0.6
253.19588	0.7
254.16473	0.6
255.13879	0.5
256.12421	0.5
257.13187	0.9
258.14130	0.8
259.11081	0.5
259.14847	2.3
260.12094	0.6
260.15677	0.7
261.02811	0.6
261.12823	2.3
261.16400	2.7
262.13556	0.9
262.16843	0.5
263.14334	3.7
263.17944	3.2
264.14984	1.3
264.18558	0.6
265.12363	0.9
265.15897	4.2
265.19586	1.9
267.13885	1.0
267.17462	1.1
269.15399	3.5
271.14874	0.7
273.16495	1.1
274.17010	0.5
275.14456	1.2
275.17914	2.5
276.15115	0.6
276.18481	0.4
277.15915	3.5
278.82941	0.4
279.03983	0.6
279.13892	2.3
279.17456	7.4
280.18130	4.5
281.15466	1.4
281.18997	10.1
282.19373	0.7
285.15332	0.5
287.14365	0.6
289.15967	0.9
289.19397	0.9
291.17429	3.3
292.18204	1.3
293.15314	2.3
293.18994	5.4
295.16983	1.9
295.20187	0.5
297.14890	1.2
297.18472	1.3
301.15854	0.6
303.17358	0.7
304.18143	0.5
305.15338	2.0
305.18781	1.1
307.13422	0.5
307.16971	1.1
307.20599	0.9
309.18610	5.8
309.22061	1.0
310.19083	0.5
311.16513	1.1
311.20004	14.9
312.20313	0.8
317.15225	0.5
317.18933	0.7
321.18494	1.5
323.16452	2.3
323.19955	1.0
324.16989	0.6
325.21851	0.5
327.19785	1.0
329.12558	0.6
331.16626	0.8
333.18439	1.3
335.20074	2.8
339.19492	1.1
341.21249	2.5
343.20563	1.1
351.19461	1.3
353.21191	8.3
354.21432	0.7
361.21863	0.7
363.19583	1.2
364.20114	0.5
369.20587	0.8
371.22504	7.6
372.22272	0.7
377.21021	0.7
379.22882	0.6
381.20517	2.5
389.21140	6.0
390.21127	0.9
391.22705	1.0
399.21674	1.8
401.21033	1.3
407.22177	100.0
408.22504	8.7
415.23022	1.0
417.24268	0.8
419.22202	6.9
420.22470	1.0
421.23782	1.9
423.25458	1.0
425.23270	38.2
426.23581	3.2
431.22580	0.6
433.23676	1.5
435.25354	1.9
437.23331	12.7
438.23563	0.7
443.22177	1.5
449.23502	2.4
453.26080	0.9
455.15802	1.4
455.24637	0.9
461.23145	3.3
462.23508	0.6
467.24368	8.3
468.24792	0.8
479.24384	9.0
480.24561	0.5
497.25613	11.1
498.25516	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01860	2.8
55.05507	8.5
57.03419	1.6
57.07079	2.5
64.86164	1.4
67.05504	9.9
69.00603	9.3
69.01018	5.0
69.03422	4.4
69.07056	5.5
71.04990	3.9
79.05486	13.0
81.03393	3.0
81.07055	30.8
83.04974	3.0
83.08606	2.2
85.06541	3.0
87.06670	1.4
91.05479	14.7
93.07054	19.2
95.04955	7.5
95.08598	20.9
97.02864	3.3
97.06531	3.6
99.04447	13.5
103.05468	1.7
105.07024	21.9
107.08582	16.7
109.06517	24.6
109.10142	6.0
110.94471	1.8
111.04430	2.9
111.08070	7.4
115.05478	3.4
117.07014	10.7
119.08573	21.7
121.06489	6.0
121.10144	10.6
123.08052	9.2
123.11665	2.4
124.91796	1.7
125.05975	2.0
125.09634	3.9
127.03973	3.7
128.06224	6.6
129.07022	10.7
130.07779	2.3
131.08575	18.8
133.06502	3.6
133.10120	17.2
135.08049	4.1
135.11653	5.1
137.05974	25.9
137.09583	2.3
139.07518	4.1
141.06960	6.8
142.07768	6.7
142.94553	1.7
143.08562	27.6
144.09456	1.9
145.06468	6.6
145.10109	19.4
147.08051	6.9
147.11684	11.6
148.59093	1.5
149.09618	4.0
151.07523	3.5
153.05486	3.6
153.06970	4.4
154.07750	3.5
155.08557	17.8
156.09291	7.1
157.10110	19.0
158.10854	2.8
159.08034	6.5
159.11656	12.2
161.05997	2.7
161.09598	5.1
163.11211	1.9
165.07022	6.1
166.07758	4.3
167.07161	3.4
167.08562	10.9
168.09337	3.8
169.10117	22.6
170.10814	6.4
171.07977	2.0
171.11678	36.8
173.09676	10.0
173.13257	23.3
175.07504	1.9
175.11165	5.8
177.09142	2.0
179.08543	5.7
180.09302	4.3
181.10141	18.9
182.10899	6.4
183.08020	4.0
183.11665	18.1
184.12460	6.4
185.09647	4.3
185.13246	17.5
187.11139	5.4
187.14767	6.9
187.51863	1.7
189.09102	2.1
189.12828	1.9
191.08643	2.5
191.10619	3.4
192.09297	5.2
193.10139	13.8
193.11914	2.6
194.10860	4.9
195.07993	2.7
195.10075	1.6
195.11694	20.3
196.12439	4.6
197.09557	3.9
197.13284	14.5
198.13943	2.3
199.07585	1.8
199.11177	7.2
199.14792	6.2
201.12723	2.6
203.08731	1.8
203.10683	1.6
205.10078	6.8
205.11861	1.8
206.10823	3.8
207.11691	14.9
208.12444	5.7
209.09709	3.2
209.13255	22.8
210.13950	4.1
211.11157	5.0
211.14877	11.5
211.16684	2.5
213.12770	4.1
215.14314	2.1
217.10132	3.9
218.10942	2.5
219.09898	3.2
219.11699	6.9
220.12508	2.1
221.09683	3.1
221.13251	13.9
222.13918	4.6
223.11183	3.9
223.14790	11.8
224.15486	2.7
225.12715	7.1
225.16376	5.8
227.14255	5.3
230.10825	3.7
231.11671	2.5
232.12498	2.6
233.13310	9.8
234.14067	3.2
235.11183	3.7
235.14825	13.3
236.11771	2.1
236.15565	4.2
237.12741	5.9
237.16379	14.4
238.17172	4.6
239.14186	7.4
239.18007	6.1
245.13174	4.8
246.14029	3.4
247.11195	3.6
247.14798	11.3
248.11874	1.9
248.15602	3.4
249.12721	2.8
249.16367	11.4
250.17163	2.0
251.10606	2.3
251.14291	8.3
251.17961	5.4
252.14902	2.7
252.18781	3.7
253.15810	4.1
259.14999	3.8
260.15567	3.4
261.12631	1.7
261.16293	6.8
262.13538	1.9
262.17096	2.6
263.10638	1.8
263.14227	4.2
263.17865	4.6
265.12451	7.8
265.15793	8.0
265.19492	12.0
266.12878	2.5
266.16629	5.1
266.20135	3.6
267.13992	3.2
267.17410	11.6
267.21002	7.3
273.16382	2.1
275.14337	3.2
275.17889	5.9
276.18576	2.7
277.12476	1.5
277.16010	3.8
277.19455	12.7
278.20178	2.6
279.13965	2.5
279.17395	7.0
279.20551	1.4
281.15424	3.5
281.18954	2.8
283.13217	6.5
287.17847	2.0
289.19421	3.4
291.21060	3.6
293.15756	2.1
293.18762	7.7
294.19766	3.4
295.16986	4.8
295.20511	41.8
296.21161	9.4
297.14728	5.1
297.18399	1.7
305.15457	4.1
305.19012	7.0
307.20551	6.0
309.15024	1.7
309.22089	3.2
311.16296	2.5
313.18103	2.6
317.19058	6.1
319.20514	3.7
323.16498	4.4
323.20114	7.1
325.18094	2.3
325.21603	3.8
327.23199	2.7
335.19974	6.4
345.18243	2.1
353.21011	7.1
359.14960	3.2
363.19406	4.6
371.22165	100.0
372.22430	8.7
391.22845	2.2
393.24374	4.0
399.21823	7.9
403.18121	2.2
403.22647	6.8
405.25079	2.6
415.22586	2.2
419.22308	3.0
421.23965	98.3
422.24396	20.1
433.23770	6.4
435.25131	6.0
443.21884	4.0
451.25092	17.2
452.25369	2.3
453.26456	3.4
461.23285	8.1
479.24451	8.9
480.25305	2.0
497.25681	43.3
498.25571	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2535
Annotation	Fuscaxanthone H
Peak:m/z	Relative Intensity
53.03933	1.5
55.01875	1.3
55.05503	2.0
67.01869	1.3
67.05499	4.1
69.03431	13.7
69.07060	1.7
70.56967	1.6
70.57277	1.1
71.04998	1.2
77.03915	1.0
79.05495	4.4
80.80672	0.9
81.07063	7.2
83.04956	1.5
91.05484	13.4
92.75225	0.9
93.07054	4.9
95.04970	3.7
95.08596	9.0
97.02895	3.9
97.06537	3.8
103.05463	1.3
105.07039	10.4
107.08593	4.0
109.06532	8.7
109.10147	3.6
111.04465	5.9
111.08095	3.6
117.07034	6.5
119.08588	16.6
121.06498	2.2
121.10124	1.8
123.04494	1.3
123.08073	3.9
125.09630	2.3
128.06227	3.0
129.07019	4.2
130.07852	1.6
131.08559	6.0
132.05713	1.0
133.10132	23.2
135.08052	2.2
135.11656	0.9
137.06003	3.6
137.09592	1.7
139.07556	8.3
141.06992	2.1
142.07776	2.8
143.08566	6.3
145.06458	2.4
145.10181	5.8
147.08051	43.1
147.11694	1.4
148.08351	1.3
149.09633	1.6
155.08528	4.9
156.09319	1.7
157.10115	6.0
159.08054	2.2
159.11732	3.4
161.09625	35.1
163.07556	1.2
165.09158	2.8
167.08585	2.0
168.09332	1.7
169.10152	5.3
171.08023	2.4
171.11691	2.9
173.09637	1.9
173.13260	1.7
175.11201	2.3
179.08569	2.0
181.10120	3.9
183.11700	4.1
185.09624	2.4
185.13289	2.0
187.11237	1.3
189.09114	18.8
189.12772	1.2
193.10162	3.0
195.08098	1.2
195.11739	3.0
197.09639	2.0
197.13249	2.6
199.11253	1.6
200.11824	1.3
201.12761	4.4
203.10750	1.2
205.08501	1.6
207.10164	100.0
208.10599	4.4
209.09659	1.1
209.13283	3.2
210.10359	0.9
211.11153	2.0
211.14838	1.6
213.12747	1.6
215.14284	3.0
219.11797	1.2
221.13362	1.2
222.14056	1.1
223.14821	1.2
225.12769	2.3
227.14314	3.2
233.13338	1.3
235.11124	1.9
239.10693	1.3
241.15881	1.1
243.69154	1.0
247.14944	1.0
251.14305	2.4
252.08603	0.9
253.12277	1.3
265.15964	1.2
267.17429	2.1
273.15201	1.1
275.14111	1.3
279.13687	1.6
281.11716	1.1
281.15359	1.1
297.14792	2.2
299.16458	2.0
300.96820	0.9
307.13278	1.3
323.16446	1.5
323.20001	1.6
325.14337	2.5
341.13574	1.0
363.19479	1.5
367.15274	1.0
391.18964	1.9
401.17123	1.2
402.89984	1.2
419.18533	7.9
421.18057	2.0
421.23730	36.5
422.24194	5.2
437.19452	3.9
451.25128	2.1
461.18976	1.1
479.19958	1.8
497.25821	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
53.38776	1.0
55.01878	2.0
55.05511	6.0
57.07073	1.3
57.82462	1.0
59.04995	1.6
67.05506	7.4
69.03432	4.4
69.07074	4.7
69.84116	4.6
79.05503	10.4
81.07054	29.8
81.07531	2.2
81.18482	1.1
83.04973	4.7
83.08613	2.3
84.59900	1.1
85.02943	1.0
85.06530	1.8
91.05468	12.7
93.07034	10.9
95.04970	3.7
95.08623	11.0
95.52828	1.2
97.02875	5.5
97.06531	4.0
98.23334	1.3
99.04452	7.0
103.05468	1.3
104.59836	1.1
105.03426	2.5
105.07035	14.6
107.04958	1.3
107.08566	9.6
109.06519	25.8
109.07245	1.8
109.10168	4.8
111.04427	3.5
111.08076	3.8
115.05466	2.7
117.07013	7.0
119.05013	1.4
119.08575	13.7
121.06511	4.9
121.10139	8.4
123.08069	5.8
123.11782	1.1
125.06003	3.2
125.09635	1.5
127.03918	2.7
128.06247	4.5
129.06990	9.2
130.07799	1.3
131.08566	11.0
133.06480	1.3
133.10129	9.8
135.08058	4.9
135.11732	1.6
137.05960	20.3
137.09601	1.3
139.07553	2.8
141.06963	8.1
142.07788	5.6
143.08580	17.8
145.06511	3.6
145.10109	15.3
147.08023	7.5
147.11688	5.4
149.09593	3.3
151.07558	1.3
151.11172	1.8
153.05473	5.2
153.06982	3.7
154.07758	2.4
155.08542	14.8
156.09331	5.2
157.06500	2.9
157.10110	15.7
159.08057	5.2
159.11711	7.9
161.09610	3.9
161.13264	1.9
165.06975	6.7
165.09114	1.5
166.07777	4.0
167.08542	10.0
168.09354	3.3
169.06586	1.5
169.10129	19.9
170.10800	1.7
171.08083	3.6
171.11696	15.1
173.09654	6.6
173.13312	3.8
175.11217	4.8
177.09171	2.2
178.07748	1.5
179.08527	7.3
180.09337	6.4
181.10075	19.8
182.10823	5.3
183.08121	3.6
183.11702	15.6
184.08900	1.9
184.12367	1.4
185.09593	3.2
185.13304	6.2
187.11179	3.4
187.14882	1.9
190.07845	1.5
191.08583	3.6
192.09370	4.8
193.08554	2.9
193.10106	15.4
194.10890	3.7
195.08026	3.2
195.10103	1.7
195.11684	19.0
196.12469	3.4
197.09659	4.0
197.13248	9.4
198.13795	1.6
199.07552	1.8
199.11206	3.8
199.14845	4.6
201.12766	4.4
202.07797	3.0
203.08528	2.2
203.10666	1.2
204.09384	1.9
205.10173	6.5
206.10889	4.7
207.08264	1.1
207.10071	2.0
207.11731	13.3
208.08887	1.4
208.12436	5.0
209.09642	3.5
209.13263	18.0
210.10443	1.9
210.14030	3.9
211.11249	5.0
211.14809	14.1
212.15657	1.2
213.09207	1.5
213.12724	3.9
213.16223	1.4
214.13298	1.2
215.08633	1.7
215.10757	1.5
216.09302	2.0
217.10138	7.1
218.10942	2.8
219.11719	8.5
220.08832	1.6
220.12430	4.1
221.09691	3.1
221.13248	12.4
222.13924	2.3
223.11397	5.5
223.14804	8.6
224.15514	2.4
225.12726	5.4
225.16382	5.1
227.14307	3.5
228.14992	2.2
229.10219	1.5
230.10841	2.3
231.11778	5.5
232.12529	5.2
233.09657	2.2
233.13420	8.8
234.10469	1.3
234.14008	3.6
235.11209	5.1
235.14828	10.2
236.11975	1.5
236.15622	2.4
237.09259	1.2
237.12755	5.3
237.16367	17.6
238.17108	3.5
239.10718	2.4
239.14337	3.6
239.17841	8.8
240.15096	1.2
241.12283	3.5
242.16246	1.6
243.11687	2.5
244.12535	2.2
245.09691	2.4
245.13295	3.7
246.10474	1.8
246.13867	3.0
247.11168	4.5
247.14874	12.8
248.11823	2.5
248.15503	3.4
249.12648	5.5
249.16365	9.6
250.16960	2.2
251.10707	2.0
251.14357	4.8
251.17897	5.5
252.15112	1.3
253.15883	3.8
255.13908	1.5
257.13269	2.7
259.11249	2.0
259.14792	6.4
260.15494	1.8
261.12802	3.9
261.16376	8.1
262.17123	1.3
263.10886	3.1
263.14255	6.8
263.17914	4.2
265.12534	2.0
265.15897	15.0
265.19519	5.3
266.16418	2.3
266.20120	1.9
267.14331	1.3
267.17438	7.6
267.20767	5.5
268.18018	1.3
269.18985	2.0
271.14771	1.5
273.12515	1.4
275.14377	2.7
275.17957	2.6
277.16290	6.0
277.19504	5.7
279.14117	1.8
279.17444	11.4
280.17908	2.0
281.11652	1.1
281.15625	2.0
281.18964	3.4
283.17087	1.4
287.14325	2.4
287.17664	1.6
289.16077	2.7
289.19247	1.3
291.13757	2.0
291.17447	2.3
291.21036	1.4
293.15475	2.3
293.18915	3.2
294.19861	2.2
295.17041	3.4
295.20493	20.3
296.21173	5.0
297.15234	1.6
297.18539	5.7
299.20050	2.3
303.14056	1.5
303.17474	1.6
305.15372	3.4
305.19003	2.7
307.17032	2.6
307.20303	2.1
308.16891	1.4
309.22031	3.2
313.15601	1.7
317.15521	1.6
317.19061	2.7
319.65894	1.3
323.16400	3.6
323.20065	6.1
325.18259	2.3
325.21542	2.4
327.23236	2.5
335.20074	2.0
341.17520	4.6
343.19269	5.4
347.20004	2.3
353.21161	5.6
357.21915	2.0
363.19714	2.5
371.22174	13.5
372.22522	1.5
373.21875	2.1
375.23215	2.9
377.21045	1.6
381.20453	1.3
385.21902	2.3
391.18762	1.7
393.24423	8.4
399.21979	4.2
403.22919	6.8
404.23480	1.8
405.24295	2.0
415.22757	3.7
417.24603	2.5
419.17990	7.6
421.23764	100.0
422.24420	26.4
423.25034	3.9
433.23471	10.6
435.25339	13.2
437.19534	11.8
438.19278	1.6
439.21106	3.0
443.21890	3.1
451.24689	16.3
453.26312	4.0
461.22784	5.6
479.24188	6.9
482.15503	3.4
497.18314	21.9
497.25412	29.4
498.18735	3.3
498.25842	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.05511	3.7
57.03442	1.0
67.05505	4.6
69.03436	4.5
69.07067	2.1
70.03743	0.7
71.04993	4.5
71.30178	1.2
79.05492	7.2
81.03403	2.5
81.07056	9.6
83.04987	2.3
85.02904	2.9
85.06563	1.6
91.05485	9.1
93.07053	8.4
95.04964	9.3
95.08620	5.1
97.02883	2.7
97.06529	6.8
97.10177	0.7
98.06867	1.1
99.04459	11.5
105.07027	11.7
107.04928	3.5
107.08582	6.9
109.06518	22.1
109.07247	1.4
109.10146	2.8
111.04421	1.8
111.08086	2.8
115.05483	2.0
117.07005	6.9
119.08574	12.0
121.06516	4.9
121.10133	6.7
121.39542	0.6
122.10495	0.8
123.04427	1.1
123.08072	12.0
123.11725	1.5
125.05985	11.4
125.09650	0.7
127.03904	4.7
128.04208	0.7
128.05379	0.7
128.06171	3.2
129.07007	7.9
130.07674	0.9
131.08551	8.9
133.06487	2.2
133.10133	6.2
135.08061	3.2
135.11685	2.6
137.05980	7.6
139.07532	2.7
141.06981	4.4
142.07808	3.8
143.08554	13.5
144.09123	0.8
145.06456	4.4
145.10132	10.6
146.10524	0.9
147.08028	8.8
147.11694	8.8
147.12781	1.1
149.09605	1.6
149.13312	1.0
151.07573	2.0
153.05473	3.8
153.06976	2.6
154.07739	1.6
155.07222	1.1
155.08527	9.2
156.09335	4.3
157.10121	10.7
158.07281	1.3
158.10840	1.3
159.08057	10.5
159.11699	7.3
161.09601	5.0
161.13304	1.5
163.07602	0.8
163.11227	1.7
165.07014	3.3
166.07739	1.5
167.07042	3.6
167.08571	7.1
168.09360	2.7
169.10123	13.5
170.10902	1.6
171.08061	3.3
171.11681	20.7
173.09654	5.7
173.13268	6.7
174.13618	1.0
175.07457	0.9
175.11200	3.0
175.14937	0.8
178.07806	1.1
179.08556	4.3
180.09322	2.8
181.10107	9.7
182.10866	2.9
183.08115	1.4
183.11674	8.8
184.12413	1.7
185.09628	2.7
185.13246	8.6
187.07584	0.8
187.11208	2.2
187.14803	5.7
189.09132	1.7
191.08591	1.8
191.10551	1.1
192.09299	2.4
193.10120	8.4
194.10858	2.9
195.08122	1.8
195.10045	1.0
195.11700	10.7
196.12431	1.7
197.09601	3.0
197.13243	6.2
199.11172	3.6
199.14749	3.4
201.09206	1.1
202.07816	0.8
203.08539	2.0
204.09325	1.9
205.10132	4.0
206.10925	2.7
207.10010	1.0
207.11700	8.9
208.08559	0.8
208.12442	2.6
209.09665	2.2
209.13257	10.5
210.13916	2.1
211.11261	3.6
211.14777	3.7
213.12782	1.7
213.16418	1.0
215.08626	0.9
215.10623	0.8
215.14322	1.2
216.09404	1.1
217.10159	2.5
217.12180	0.7
218.10909	2.6
219.11812	5.0
220.12389	2.2
221.09787	0.9
221.13254	8.1
222.13950	1.6
223.11197	2.7
223.14775	8.3
224.15472	1.2
225.12717	2.3
225.16312	3.7
227.14397	0.9
230.10944	1.1
231.11699	2.8
232.12410	2.6
233.09605	1.5
233.13243	7.5
234.13977	2.6
235.11151	2.9
235.14783	9.5
236.11841	1.5
236.15474	1.9
237.12730	4.3
237.16333	9.1
238.17104	2.9
239.10576	0.9
239.14464	1.7
239.17867	1.9
241.15875	0.8
243.11743	1.6
244.12488	0.9
245.13248	2.9
246.14061	2.0
247.11176	1.3
247.14905	4.4
248.11945	0.9
248.15495	1.1
249.12761	2.4
249.16405	4.6
250.13667	1.0
250.17122	1.9
251.14304	12.9
251.18030	3.4
252.14952	3.8
253.12328	1.0
253.15865	5.1
253.19537	1.6
254.16344	0.9
255.11620	0.9
257.13278	1.0
259.11163	0.9
259.14865	2.7
260.15497	1.3
261.12857	1.9
261.16483	2.8
263.10858	1.0
263.14413	3.2
263.17905	4.8
264.14999	1.0
265.12399	1.1
265.15906	4.1
265.19409	3.5
266.19904	0.7
267.13971	1.2
267.17346	2.3
273.16400	1.5
274.17249	0.7
275.14362	2.1
275.17929	4.3
277.15826	3.9
279.13855	2.8
279.17462	9.3
280.18216	7.5
281.15692	1.6
281.18945	19.8
281.21872	1.4
282.19370	0.8
283.20703	0.8
285.16278	0.9
287.14325	0.8
289.15842	1.0
289.19556	1.0
291.17447	2.8
292.18204	1.9
293.15662	1.5
293.18866	10.0
294.19250	0.9
295.16910	3.2
295.20233	1.2
297.15158	1.4
297.18564	2.4
297.22217	1.8
298.22571	1.1
299.22867	2.3
303.17365	1.1
305.15268	2.0
305.18744	1.2
307.16910	1.3
309.18494	7.3
309.22125	2.7
310.18924	0.9
311.20023	51.0
312.20294	3.2
315.17233	0.9
316.23367	0.9
317.18909	1.3
317.23785	1.2
321.18362	1.4
323.16434	1.8
323.20068	1.9
325.21786	1.5
329.15359	0.7
331.16656	0.8
333.18353	1.2
334.19470	0.8
335.20166	5.6
339.19626	2.2
341.21106	9.0
345.18365	0.9
348.16623	0.8
351.19470	1.5
353.21152	16.7
354.21396	0.8
371.22198	26.6
372.22409	1.9
381.20584	1.4
389.21063	4.9
391.22778	2.3
401.21188	1.5
407.22147	100.0
408.22623	9.4
419.22427	7.5
421.23938	6.3
423.25635	1.1
425.23190	19.2
426.23380	1.1
433.23648	1.1
435.25305	2.2
437.23477	12.8
438.23923	1.4
449.23233	2.1
461.23120	3.7
467.24219	9.1
468.24902	1.3
479.24545	9.8
497.25800	9.4
517.51862	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2899
Annotation	Ripostatin B
Peak:m/z	Relative Intensity
53.03954	1.9
55.01885	2.1
55.05513	9.7
57.03460	1.7
61.38654	1.4
65.03947	1.9
67.05507	18.6
69.03433	3.3
69.07070	8.7
69.17564	11.0
69.17985	2.9
71.04991	3.4
71.52414	1.4
77.92596	1.9
79.05479	12.4
79.05831	1.3
81.07056	22.3
83.04977	12.6
83.08625	2.6
85.06538	3.6
91.05475	17.8
93.07039	23.8
95.04964	7.1
95.08606	39.5
97.02871	1.7
97.06541	7.6
97.10184	2.6
98.22562	1.5
99.04484	3.8
103.05522	1.8
105.07030	29.0
107.04961	1.8
107.08598	21.8
109.06528	18.7
109.10172	9.4
111.04450	7.0
111.08116	8.4
113.05966	1.5
115.05415	2.5
117.07033	10.3
119.08580	27.9
121.06506	7.2
121.10130	12.1
123.08065	15.3
123.11715	3.7
125.06064	2.3
125.09642	4.7
128.06253	6.3
129.07001	14.1
130.07814	2.5
131.08575	21.2
133.06519	3.6
133.10130	15.7
135.08066	6.7
135.11697	4.2
137.05977	8.6
137.09618	3.9
139.07520	2.9
141.07022	6.6
141.09077	1.5
142.07799	6.9
143.08554	27.5
145.06465	4.3
145.10135	25.2
147.08031	8.9
147.11705	9.4
149.09637	2.5
151.07561	2.2
151.11212	2.8
153.05621	1.8
153.06941	3.5
154.07840	2.3
155.08540	21.0
156.09311	5.3
157.06502	1.7
157.10114	27.6
158.10657	2.0
159.08070	8.5
159.11684	18.7
161.09634	11.3
161.13252	3.6
163.07515	2.0
163.11234	1.9
163.14682	1.5
165.07018	5.6
165.09166	2.6
166.07773	2.9
167.08545	8.7
168.09334	4.8
169.10114	22.4
170.10811	3.2
171.08084	4.4
171.11693	19.7
172.08893	1.8
173.09613	10.8
173.13243	9.9
175.11186	6.7
177.09038	2.8
177.12779	1.8
178.07759	2.3
179.08549	6.3
179.10719	2.3
180.09338	4.4
181.10115	21.6
182.10902	5.0
183.08075	2.4
183.11696	25.7
184.12440	1.9
185.09641	5.7
185.13289	14.4
187.11176	6.9
187.14854	5.8
189.09177	2.2
189.12807	4.0
191.08629	3.4
191.10744	2.5
192.09291	4.9
193.10114	14.4
194.10869	4.4
195.08023	2.5
195.10049	2.9
195.11691	20.7
196.12431	4.9
197.09631	4.1
197.13269	19.4
198.13681	2.1
199.11174	5.8
199.14857	8.2
201.12811	4.3
203.08582	3.0
203.10651	3.3
204.09433	2.8
205.10146	5.3
205.11919	1.4
206.10869	3.9
207.11702	16.9
208.12387	2.9
209.09669	3.7
209.13240	22.9
210.13959	3.0
211.11206	6.8
211.14799	12.9
213.12810	5.1
213.16405	4.1
215.10657	2.8
215.14282	3.6
216.09346	1.4
217.10182	3.7
217.12270	3.0
218.11024	3.4
219.11781	8.4
220.12477	4.7
221.13260	12.9
222.10439	1.6
222.13837	4.1
223.11201	6.1
223.14842	14.2
224.15515	2.0
225.12726	7.7
225.16263	6.9
227.14311	8.7
229.12177	2.8
229.15880	2.1
230.10753	2.0
231.11731	4.7
232.12296	3.0
233.13466	7.1
234.13963	3.7
235.11116	4.0
235.14856	11.8
236.15585	2.6
237.12711	4.6
237.16348	12.5
239.10773	1.9
239.14330	7.4
239.17929	5.3
240.18494	1.9
241.12251	3.2
241.15887	5.4
244.12462	2.5
245.13235	4.7
246.14061	3.4
247.11086	2.3
247.14903	8.6
248.15468	2.4
249.12866	3.6
249.16277	9.4
250.17174	1.7
251.14301	5.6
251.17953	7.6
253.12265	1.8
253.15869	4.0
253.19453	1.9
255.14034	2.6
255.17441	1.9
257.15503	3.2
259.14828	2.7
260.15680	2.3
261.12558	1.9
261.16418	8.9
262.17007	2.2
263.14355	4.9
263.17905	3.6
265.15854	9.4
265.19376	3.4
267.13947	3.4
267.17438	10.5
267.20929	2.4
269.15396	4.8
269.18881	1.8
273.16635	2.1
275.14261	2.0
275.17966	2.8
277.15848	5.3
277.19559	8.3
279.14499	1.8
279.17453	9.7
279.20981	2.2
280.18292	2.1
281.15356	4.4
281.19055	4.6
283.17151	2.6
283.20392	2.3
287.17886	2.3
291.17477	3.6
291.20953	2.5
292.21500	1.4
293.15579	2.0
293.18982	4.1
295.17114	3.7
295.20581	10.5
297.18582	5.2
303.17532	2.3
305.15530	2.2
305.18768	3.0
307.20496	2.0
309.18527	4.4
309.21851	1.7
311.20029	3.3
317.18982	1.6
319.16937	1.9
319.20694	2.1
321.18518	4.1
323.20065	6.1
327.19699	9.3
335.20108	2.6
339.19727	2.6
341.17654	1.9
341.21613	2.0
343.19214	2.4
362.22610	1.6
365.24979	2.2
371.22748	2.8
373.25290	4.8
383.22781	3.1
389.28485	2.1
391.26431	13.1
393.24100	3.7
395.25894	4.3
401.19769	2.5
401.24692	13.5
403.22552	3.0
405.27982	4.5
407.25623	5.5
407.29507	6.8
408.93207	1.8
409.27313	2.6
415.26361	6.5
417.27991	6.2
419.18195	2.4
419.19089	2.5
419.25818	40.5
420.25867	1.9
421.23730	28.1
422.24298	8.2
423.28934	5.7
425.24771	3.1
433.27637	11.5
435.29208	24.7
437.26880	100.0
438.27097	8.2
443.26010	7.6
449.26889	3.0
451.28430	5.9
453.24521	2.0
453.30069	19.7
461.27066	31.2
462.27048	2.2
467.13742	2.0
467.27905	2.2
479.28058	49.5
480.27991	3.3
482.15854	5.9
497.18869	17.5
497.28726	14.9
498.18466	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2899
Annotation	Ripostatin B
Peak:m/z	Relative Intensity
52.42889	4.0
53.03945	15.5
54.14949	4.4
55.01867	5.7
55.05514	17.0
67.05500	18.6
69.03425	6.5
69.07079	18.8
69.18993	12.0
69.19399	17.9
70.50169	4.1
71.05013	6.1
79.05493	29.5
81.07056	59.8
83.04964	21.3
83.08643	4.4
89.22840	3.7
91.05480	40.9
93.07046	49.0
95.04979	14.7
95.08611	54.5
97.02923	5.9
98.22611	6.6
99.04462	10.1
103.05434	7.0
105.07029	57.5
107.04967	7.3
107.08592	25.8
109.02895	24.0
109.06519	87.0
109.10165	13.1
109.15939	4.3
111.04436	13.3
111.08094	15.1
115.05412	6.9
116.06288	4.6
117.07040	30.5
119.04977	7.0
119.08578	48.5
121.06516	21.8
121.10146	14.5
123.08090	18.3
123.11730	9.4
123.43451	4.6
127.07615	7.4
128.06261	11.0
129.07008	21.3
131.08571	41.4
133.06511	11.7
133.10121	43.0
135.04478	5.2
135.08078	26.6
135.11707	13.7
137.05984	48.4
137.09644	5.0
139.07585	16.0
141.06996	14.1
142.07800	9.5
143.08543	39.3
144.09418	7.0
145.06531	16.9
145.10146	39.6
146.01062	3.9
146.07230	7.4
147.08047	30.2
147.11674	10.5
149.09602	8.6
153.07095	8.0
154.07794	7.2
155.07167	19.9
155.08372	20.6
156.09390	6.9
157.06511	13.4
157.10109	43.6
158.10963	5.8
159.08078	32.2
159.11668	43.7
161.05965	6.2
161.09639	33.9
161.13333	10.1
163.07567	8.0
164.04941	4.3
165.07027	7.2
166.07794	5.5
167.08582	10.3
168.09425	6.0
169.10133	23.6
171.08054	20.4
171.11647	21.8
173.09639	25.5
173.13303	14.8
174.10396	6.1
175.07558	9.2
175.11223	19.6
175.14807	5.3
177.09134	7.3
178.07770	5.8
179.08588	18.2
179.10706	8.2
181.10129	21.8
182.10866	7.8
183.08029	12.8
183.11638	30.9
185.09669	17.3
185.13306	15.4
187.11220	25.4
187.14790	9.7
189.09131	10.3
189.12778	17.7
191.08563	4.1
193.10167	14.6
194.10893	7.2
195.08054	12.9
195.11775	20.8
196.12358	5.6
197.09636	16.0
197.13293	22.9
199.11209	29.5
199.14845	8.1
201.09195	5.7
201.12810	20.0
203.10695	9.5
205.10283	8.1
205.12280	14.3
206.10936	9.3
207.11702	19.4
208.12404	4.6
209.09639	11.5
209.13304	17.7
211.07622	4.9
211.11276	11.9
211.14882	11.1
213.09152	6.1
213.12772	14.2
215.14375	16.3
217.12268	19.9
219.11827	9.8
219.13834	14.0
220.12325	6.4
221.13293	15.0
223.11180	7.7
223.14856	11.7
225.12773	11.6
225.16463	7.0
227.10623	8.2
227.14432	5.7
229.12262	6.0
233.13255	12.3
234.13969	5.5
235.11223	8.7
235.14896	13.2
237.12715	7.7
237.16321	10.0
238.13454	4.6
239.10925	6.1
239.14311	11.7
239.17896	11.5
241.15916	5.4
243.13864	13.6
245.11661	12.3
247.11165	8.9
249.12802	11.2
251.14297	16.0
251.17865	5.2
253.12140	4.7
253.15903	13.7
255.13780	5.7
257.15479	7.2
257.19067	5.4
262.13647	4.9
263.14291	13.0
263.18060	7.8
265.09402	4.6
265.16000	8.0
265.19720	5.3
267.13879	5.0
267.17404	7.6
269.15396	8.2
275.14200	7.0
277.15979	9.5
277.19379	9.5
278.20380	5.2
279.21103	10.0
281.15320	13.1
281.18823	4.8
285.18857	5.8
287.18082	4.9
289.15988	5.7
291.17285	5.6
295.16852	7.9
295.20313	4.5
299.16663	5.7
303.17520	6.3
305.19031	24.0
306.19843	13.4
307.16959	6.2
307.20514	8.1
309.18567	12.5
323.20190	40.1
324.20782	23.2
325.21524	12.3
341.21088	15.9
351.19449	6.3
369.24573	11.1
377.24802	5.2
387.21619	7.4
395.25833	5.5
397.25345	6.1
401.24985	10.3
405.20755	5.1
415.26291	12.3
419.25800	8.9
425.24774	13.9
433.27600	25.0
443.25760	53.3
461.26889	100.0
462.27264	9.0
479.27930	88.9
480.28470	7.6
497.29160	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65652	1.2
51.40305	1.2
53.03953	3.5
55.05511	80.8
56.05846	2.2
57.03444	1.3
57.07075	1.4
61.36454	1.3
67.05505	8.9
69.07061	4.4
69.07970	1.3
69.30375	9.8
75.04486	1.5
79.05497	7.0
81.07065	9.8
83.04980	100.0
84.05307	1.8
87.04472	2.1
89.79079	1.2
91.05483	15.5
93.07039	16.9
95.04971	6.2
95.08611	19.3
97.06543	2.3
99.04460	3.6
104.06255	3.4
105.07024	19.1
107.08582	10.4
109.06522	5.2
109.10162	5.3
111.04426	3.7
111.08099	5.3
115.03927	2.5
115.05476	5.4
117.07011	8.3
119.04951	13.8
119.05708	1.6
119.06092	1.2
119.08580	18.7
120.08810	1.6
121.06519	8.6
121.10133	5.5
123.08051	7.4
123.11720	2.0
125.09638	1.8
128.06282	1.8
129.07016	4.6
131.08575	10.6
132.05708	32.4
133.10126	11.3
134.07283	1.9
135.04472	2.3
135.08061	6.3
135.11652	2.3
137.09622	1.7
139.07567	3.1
141.06995	2.8
141.09103	2.0
142.07756	2.4
143.08568	10.1
145.06421	2.6
145.10143	9.4
147.08046	18.3
147.11662	4.9
148.08414	1.8
149.06021	3.4
149.09624	3.0
151.07478	1.6
151.11142	1.7
153.07024	2.0
155.07346	1.8
155.08469	6.6
156.09351	3.8
157.06419	1.6
157.10136	13.1
158.10806	1.5
159.08063	4.7
159.11716	11.1
160.05205	1.9
161.09554	3.4
161.13306	3.0
163.07635	1.8
165.06937	2.7
165.09087	1.5
166.07938	1.4
167.08577	4.2
168.09145	2.0
169.10071	9.9
170.10760	1.5
171.08014	2.2
171.11708	10.6
173.09615	4.2
173.13231	4.2
175.07588	5.7
175.11221	5.1
177.05379	1.6
177.12733	1.7
179.08522	2.6
179.10669	10.6
181.10051	7.0
182.10884	2.0
183.08118	1.8
183.11711	8.9
185.09639	3.2
185.13339	4.4
187.11182	4.9
187.14746	1.4
189.12769	4.3
191.08543	1.5
192.07796	1.8
192.09352	1.9
193.10219	4.1
194.10913	3.5
195.08034	2.0
195.11670	7.4
197.09641	2.2
197.13286	7.1
198.13782	1.4
199.11217	3.8
199.14890	2.6
201.09152	3.3
201.12836	2.2
205.06456	1.9
206.10980	2.3
207.08124	3.4
207.10143	68.2
207.11667	5.3
208.10524	3.4
208.12492	2.3
209.13269	8.5
210.13777	1.7
211.11247	2.9
211.14882	3.7
213.12904	2.2
213.16409	1.8
215.10698	1.6
215.14445	1.5
217.12224	1.9
219.11725	3.5
220.12355	2.3
221.13266	9.3
222.06815	1.8
222.13983	1.5
223.07439	2.4
223.14819	5.3
225.11024	1.7
225.12958	2.1
225.16425	2.6
227.14113	2.5
233.13373	1.8
235.07547	2.3
235.14807	3.6
236.15489	1.7
237.09068	3.3
237.12657	2.1
237.16438	3.4
239.14372	3.8
240.04263	1.6
241.15814	3.9
245.13184	2.3
246.14037	1.8
247.07545	2.6
247.14662	2.6
249.09259	2.0
249.16364	1.9
250.06186	3.2
251.03563	2.4
251.06976	2.4
251.10713	1.6
251.14270	2.7
251.18057	3.9
253.04926	1.9
255.06708	2.1
255.10014	1.4
261.16357	3.3
262.16971	1.9
263.07007	5.7
263.14255	1.7
263.17828	1.9
264.07898	1.9
265.05090	1.8
265.08600	5.8
265.15881	1.8
266.05643	3.0
267.06616	2.8
267.10040	2.3
267.13599	1.9
268.03806	1.8
269.15344	2.1
277.08661	4.0
277.19528	1.7
278.05688	2.4
279.06497	4.9
279.10208	2.3
279.13736	2.0
279.17398	2.2
280.07336	2.5
281.08133	3.5
281.15414	2.4
282.05316	2.4
283.05884	2.3
283.09598	1.5
291.06421	3.0
292.07449	2.1
293.04910	1.8
293.08081	5.7
293.18933	1.9
294.05493	2.3
294.08807	2.4
295.06357	1.7
295.09598	2.4
295.20438	3.7
296.10120	1.8
297.07562	8.3
297.18353	2.3
299.05521	3.9
305.08099	3.6
307.06058	2.8
307.09470	3.1
308.06738	2.7
308.10181	1.5
309.07565	3.8
309.10992	3.0
311.05524	5.9
311.08856	1.8
313.07077	9.6
315.19577	2.5
319.09659	2.0
320.06589	1.6
321.07562	2.8
321.18546	3.3
321.22031	2.5
322.07990	2.8
323.09122	14.9
323.20068	3.4
325.07074	4.7
325.10699	2.1
326.07892	9.8
328.09473	4.0
333.07541	4.1
335.09122	3.5
337.07074	2.5
337.10574	9.2
339.08484	3.4
339.19458	3.3
340.09421	3.2
341.10104	2.5
347.20358	1.7
348.09912	4.6
349.06976	2.2
349.10776	2.8
350.07895	2.3
353.09973	3.4
355.11816	5.0
364.09360	4.9
365.10260	7.1
366.10959	4.5
366.72766	1.8
367.11703	7.7
369.13464	10.0
370.13690	1.7
379.11807	12.7
380.12674	1.7
385.13058	3.3
391.26422	2.6
397.12750	15.7
399.27469	2.1
401.24786	2.5
410.13397	5.3
415.26300	6.2
416.26492	1.6
417.27713	6.9
419.25861	7.9
421.23376	4.3
425.24875	2.0
433.27118	10.9
435.29031	25.6
437.26996	14.0
443.25806	10.6
451.28598	2.4
461.26886	24.6
462.27017	4.6
479.27890	30.2
480.28210	5.6
497.17871	2.9
497.29202	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	12.9
55.44944	5.1
56.58495	5.1
67.05502	12.6
68.66338	5.7
69.07062	6.4
69.09555	10.6
69.09958	39.6
74.08563	6.2
79.05486	13.9
81.07062	20.0
83.04979	23.0
91.05481	24.7
93.07057	24.2
95.04979	5.9
95.08618	23.1
96.85265	5.9
105.07045	30.9
105.94307	6.4
107.08597	12.6
109.06544	6.7
111.04459	6.8
111.08094	15.2
117.07024	11.0
119.08581	21.8
121.06519	6.0
123.08057	15.5
123.29738	5.8
129.07007	18.9
131.08559	12.5
133.10153	11.7
135.08052	9.0
137.05978	11.1
139.07584	9.2
141.07062	6.4
143.08600	16.9
145.10112	16.7
147.08066	7.8
152.20172	5.5
153.06966	8.0
155.08524	30.4
156.09317	8.4
157.06425	7.0
157.10147	28.2
159.08107	8.3
159.11720	9.6
165.06998	8.6
167.08620	16.3
169.10136	24.9
171.08000	6.3
171.11711	14.0
175.11188	11.2
179.08554	11.5
180.09256	7.8
181.10083	10.5
183.07988	6.5
183.11778	12.0
185.09723	9.5
187.11105	8.9
192.09297	9.2
193.08438	6.2
193.10172	19.0
195.11742	23.0
197.13332	12.6
199.11192	11.8
205.10081	7.6
206.10924	12.2
207.11697	25.5
209.13368	14.0
211.11284	10.6
211.14830	7.4
217.10132	9.8
217.12245	8.1
219.11780	21.8
221.13217	19.1
223.11145	8.0
223.14841	13.6
231.11699	10.4
232.12405	14.3
233.13251	16.6
235.14810	9.8
236.64677	6.3
245.13345	10.3
247.14923	14.3
251.14276	8.9
259.14752	9.5
261.12766	12.1
261.16373	16.0
293.15512	6.4
301.15952	9.6
303.17435	12.6
305.18817	10.4
321.18555	9.7
415.26257	17.4
425.24683	19.2
437.19327	12.2
443.25815	66.8
461.26865	100.0
462.27188	7.6
479.27887	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65652	1.2
51.40305	1.2
53.03953	3.5
55.05511	80.8
56.05846	2.2
57.03444	1.3
57.07075	1.4
61.36454	1.3
67.05505	8.9
69.07061	4.4
69.07970	1.3
69.30375	9.8
75.04486	1.5
79.05497	7.0
81.07065	9.8
83.04980	100.0
84.05307	1.8
87.04472	2.1
89.79079	1.2
91.05483	15.5
93.07039	16.9
95.04971	6.2
95.08611	19.3
97.06543	2.3
99.04460	3.6
104.06255	3.4
105.07024	19.1
107.08582	10.4
109.06522	5.2
109.10162	5.3
111.04426	3.7
111.08099	5.3
115.03927	2.5
115.05476	5.4
117.07011	8.3
119.04951	13.8
119.05708	1.6
119.06092	1.2
119.08580	18.7
120.08810	1.6
121.06519	8.6
121.10133	5.5
123.08051	7.4
123.11720	2.0
125.09638	1.8
128.06282	1.8
129.07016	4.6
131.08575	10.6
132.05708	32.4
133.10126	11.3
134.07283	1.9
135.04472	2.3
135.08061	6.3
135.11652	2.3
137.09622	1.7
139.07567	3.1
141.06995	2.8
141.09103	2.0
142.07756	2.4
143.08568	10.1
145.06421	2.6
145.10143	9.4
147.08046	18.3
147.11662	4.9
148.08414	1.8
149.06021	3.4
149.09624	3.0
151.07478	1.6
151.11142	1.7
153.07024	2.0
155.07346	1.8
155.08469	6.6
156.09351	3.8
157.06419	1.6
157.10136	13.1
158.10806	1.5
159.08063	4.7
159.11716	11.1
160.05205	1.9
161.09554	3.4
161.13306	3.0
163.07635	1.8
165.06937	2.7
165.09087	1.5
166.07938	1.4
167.08577	4.2
168.09145	2.0
169.10071	9.9
170.10760	1.5
171.08014	2.2
171.11708	10.6
173.09615	4.2
173.13231	4.2
175.07588	5.7
175.11221	5.1
177.05379	1.6
177.12733	1.7
179.08522	2.6
179.10669	10.6
181.10051	7.0
182.10884	2.0
183.08118	1.8
183.11711	8.9
185.09639	3.2
185.13339	4.4
187.11182	4.9
187.14746	1.4
189.12769	4.3
191.08543	1.5
192.07796	1.8
192.09352	1.9
193.10219	4.1
194.10913	3.5
195.08034	2.0
195.11670	7.4
197.09641	2.2
197.13286	7.1
198.13782	1.4
199.11217	3.8
199.14890	2.6
201.09152	3.3
201.12836	2.2
205.06456	1.9
206.10980	2.3
207.08124	3.4
207.10143	68.2
207.11667	5.3
208.10524	3.4
208.12492	2.3
209.13269	8.5
210.13777	1.7
211.11247	2.9
211.14882	3.7
213.12904	2.2
213.16409	1.8
215.10698	1.6
215.14445	1.5
217.12224	1.9
219.11725	3.5
220.12355	2.3
221.13266	9.3
222.06815	1.8
222.13983	1.5
223.07439	2.4
223.14819	5.3
225.11024	1.7
225.12958	2.1
225.16425	2.6
227.14113	2.5
233.13373	1.8
235.07547	2.3
235.14807	3.6
236.15489	1.7
237.09068	3.3
237.12657	2.1
237.16438	3.4
239.14372	3.8
240.04263	1.6
241.15814	3.9
245.13184	2.3
246.14037	1.8
247.07545	2.6
247.14662	2.6
249.09259	2.0
249.16364	1.9
250.06186	3.2
251.03563	2.4
251.06976	2.4
251.10713	1.6
251.14270	2.7
251.18057	3.9
253.04926	1.9
255.06708	2.1
255.10014	1.4
261.16357	3.3
262.16971	1.9
263.07007	5.7
263.14255	1.7
263.17828	1.9
264.07898	1.9
265.05090	1.8
265.08600	5.8
265.15881	1.8
266.05643	3.0
267.06616	2.8
267.10040	2.3
267.13599	1.9
268.03806	1.8
269.15344	2.1
277.08661	4.0
277.19528	1.7
278.05688	2.4
279.06497	4.9
279.10208	2.3
279.13736	2.0
279.17398	2.2
280.07336	2.5
281.08133	3.5
281.15414	2.4
282.05316	2.4
283.05884	2.3
283.09598	1.5
291.06421	3.0
292.07449	2.1
293.04910	1.8
293.08081	5.7
293.18933	1.9
294.05493	2.3
294.08807	2.4
295.06357	1.7
295.09598	2.4
295.20438	3.7
296.10120	1.8
297.07562	8.3
297.18353	2.3
299.05521	3.9
305.08099	3.6
307.06058	2.8
307.09470	3.1
308.06738	2.7
308.10181	1.5
309.07565	3.8
309.10992	3.0
311.05524	5.9
311.08856	1.8
313.07077	9.6
315.19577	2.5
319.09659	2.0
320.06589	1.6
321.07562	2.8
321.18546	3.3
321.22031	2.5
322.07990	2.8
323.09122	14.9
323.20068	3.4
325.07074	4.7
325.10699	2.1
326.07892	9.8
328.09473	4.0
333.07541	4.1
335.09122	3.5
337.07074	2.5
337.10574	9.2
339.08484	3.4
339.19458	3.3
340.09421	3.2
341.10104	2.5
347.20358	1.7
348.09912	4.6
349.06976	2.2
349.10776	2.8
350.07895	2.3
353.09973	3.4
355.11816	5.0
364.09360	4.9
365.10260	7.1
366.10959	4.5
366.72766	1.8
367.11703	7.7
369.13464	10.0
370.13690	1.7
379.11807	12.7
380.12674	1.7
385.13058	3.3
391.26422	2.6
397.12750	15.7
399.27469	2.1
401.24786	2.5
410.13397	5.3
415.26300	6.2
416.26492	1.6
417.27713	6.9
419.25861	7.9
421.23376	4.3
425.24875	2.0
433.27118	10.9
435.29031	25.6
437.26996	14.0
443.25806	10.6
451.28598	2.4
461.26886	24.6
462.27017	4.6
479.27890	30.2
480.28210	5.6
497.17871	2.9
497.29202	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.29
Annotation	Ripostatin B
Peak:m/z	Relative Intensity
55.51308	14.2
60.22050	13.5
60.22427	11.5
64.33403	11.5
67.05509	32.6
69.07684	58.2
69.08108	60.8
70.46666	12.1
75.29984	12.4
79.05502	23.0
79.20332	11.2
81.07063	29.7
83.04993	34.4
91.05460	17.4
93.07034	42.4
95.08595	69.6
98.22622	31.8
105.04617	12.1
105.07048	36.1
107.08597	28.4
109.06536	14.9
111.08079	17.8
115.67261	13.8
118.00021	14.7
119.08610	48.2
121.06520	16.3
131.08575	32.8
133.10107	18.0
135.08060	26.9
135.11684	16.0
143.08553	19.4
145.10141	22.3
155.08517	26.9
157.10173	33.8
159.11858	15.2
161.09566	19.6
169.10135	28.7
171.11707	30.1
173.13229	15.9
179.08670	18.7
181.10184	20.9
183.11702	15.1
187.11221	17.5
193.10133	35.1
195.11800	16.5
197.09709	14.6
206.10913	24.4
207.11774	31.0
209.13275	37.9
211.11157	14.0
219.11726	23.0
221.13255	52.0
223.14815	17.2
235.14969	21.4
245.13263	14.8
249.12820	21.8
263.14322	18.8
303.17429	18.0
401.24997	20.2
403.22681	17.1
419.25919	18.3
421.23804	53.0
425.24966	21.6
435.29227	17.8
437.26746	28.9
443.25720	52.0
461.26855	100.0
462.26938	23.0
479.27957	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2897
Annotation	Caruifolin D
Peak:m/z	Relative Intensity
55.05503	8.9
62.00890	1.9
65.56142	1.8
67.05495	7.1
69.07073	3.6
70.58772	4.1
76.57902	2.0
79.05495	6.0
81.07046	6.2
83.04983	17.5
83.08657	2.0
91.05482	9.3
93.07059	10.9
95.08601	15.9
100.06071	1.6
105.07040	9.2
105.17302	1.7
107.08607	6.5
109.06525	2.5
109.10201	2.4
111.04453	7.3
111.08095	5.1
117.07023	5.4
119.08584	16.4
121.06510	4.3
121.10168	2.2
123.08036	2.7
128.06178	4.4
129.07019	6.0
131.08591	5.0
133.06575	2.3
133.10143	7.4
135.08029	3.9
138.34081	1.7
139.07532	2.5
141.06966	3.2
142.07777	7.7
143.08499	9.2
145.10147	9.9
147.11665	4.0
155.08568	12.9
156.09377	5.0
157.10143	22.1
159.11714	5.0
167.08562	4.0
169.10118	7.1
170.10907	2.1
171.11665	10.0
173.09618	2.8
175.11200	1.9
177.12822	1.7
179.08583	4.7
180.09325	3.3
181.10153	6.4
182.10934	2.1
183.11726	5.3
185.09685	2.4
185.13234	2.5
187.11150	2.6
192.09375	2.2
193.10159	6.3
194.10823	3.3
195.11731	10.5
197.13261	6.6
199.11189	6.1
205.10039	3.2
206.10939	6.0
207.11717	10.7
209.13220	11.6
211.14851	2.1
213.36638	1.7
217.10179	3.3
217.12265	7.2
219.11705	7.5
220.12444	3.0
221.13258	7.9
223.14905	4.9
231.11673	7.9
232.12350	2.8
233.13257	10.3
234.14027	2.2
235.14818	7.4
239.14403	1.8
245.13283	6.7
245.15454	2.0
246.14046	2.1
247.14824	7.4
249.12741	3.4
251.14484	2.7
255.13869	2.2
257.13257	2.0
259.14832	7.4
260.15579	2.8
261.16458	6.8
262.17181	2.9
263.17908	4.2
265.15753	2.6
267.13739	2.7
272.15704	2.5
273.12625	2.0
273.16495	4.0
274.17188	2.8
275.17957	4.1
279.17514	2.2
281.15161	2.0
287.17950	7.6
288.18365	2.0
289.15820	3.0
301.19467	3.1
302.20374	2.9
303.17520	3.9
305.19000	2.1
321.18723	3.7
329.19202	2.9
344.21353	2.9
347.20062	2.7
361.21530	2.6
362.22379	5.2
401.24762	100.0
402.25168	10.5
415.26465	4.3
417.27768	7.6
419.25964	15.9
420.26569	3.1
425.24796	3.0
443.25824	16.1
444.26068	2.0
461.26859	40.8
462.27051	3.1
479.27866	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2902
Annotation	Caruifolin D
Peak:m/z	Relative Intensity
52.57443	3.4
53.03941	17.9
53.52681	3.1
54.95363	3.5
55.01860	4.0
55.05508	14.6
59.05015	3.8
65.03934	5.2
67.05502	22.3
69.03426	9.4
69.07063	8.7
71.04967	6.0
71.31841	5.9
72.22855	3.2
79.05491	34.8
81.03413	25.2
81.07066	29.9
83.04983	12.2
83.08607	10.2
91.05476	47.4
93.07041	39.5
95.04965	13.9
95.08594	24.7
97.06547	4.4
99.04443	16.2
103.05397	4.9
105.07031	67.1
107.04963	4.8
107.08594	50.1
109.02876	17.3
109.06515	36.8
109.10138	17.7
110.39720	3.1
111.04458	5.2
111.08080	8.4
115.05482	3.5
116.06213	4.2
117.07013	19.2
119.08576	100.0
121.06533	8.9
121.10116	22.7
123.08110	8.1
123.11725	3.9
127.03952	5.7
128.06245	12.3
129.07002	25.6
130.07794	5.3
131.08571	33.7
133.06454	6.9
133.10132	84.0
135.08069	12.3
135.11668	12.5
137.05974	19.0
137.09616	10.5
139.07494	8.4
141.06989	12.2
142.07762	19.4
143.08575	44.5
144.09261	5.5
145.06516	11.7
145.10117	52.3
147.07993	17.5
147.11694	15.8
149.09619	9.7
151.07521	8.0
153.07010	7.7
154.07787	4.3
155.08554	28.2
156.09337	22.3
157.06577	4.1
157.10126	47.4
158.10831	4.9
159.08047	43.8
159.11699	24.4
161.09604	39.9
161.13293	4.8
163.07584	6.6
163.11197	6.6
165.07001	8.4
166.07732	3.5
167.08543	21.0
167.10600	3.7
168.09335	6.0
169.10124	45.4
170.10869	7.9
171.07970	5.0
171.11703	49.8
173.09639	17.5
173.13274	14.2
175.11244	17.5
179.07118	3.7
179.08577	10.8
179.10648	23.9
180.09315	6.5
181.06544	3.6
181.10141	27.2
182.10909	15.0
183.08069	4.1
183.11699	27.9
184.12405	3.6
185.09566	13.6
185.13297	19.1
187.11191	52.7
187.14854	10.2
189.09143	4.2
189.12799	5.8
191.08612	4.9
192.09383	6.6
193.10165	12.1
193.11981	3.5
194.10878	7.7
195.08049	5.1
195.11679	25.0
196.12474	8.6
197.09657	9.0
197.13255	45.2
199.11194	20.1
199.14819	18.6
201.12851	8.4
202.13782	3.2
203.08824	4.7
203.10677	12.5
205.10263	3.8
206.10944	7.2
207.11678	21.3
208.12286	4.1
209.13109	22.5
211.11191	5.4
211.14847	15.7
213.12781	15.4
213.16370	5.2
215.10660	6.9
215.14316	5.2
217.10243	7.0
217.12242	24.4
219.11774	11.1
219.13721	5.1
220.12465	4.7
221.13310	16.0
223.11162	9.4
223.14850	11.2
225.09238	4.9
225.12755	25.0
225.16251	5.4
227.14270	20.3
228.15131	7.9
229.12259	6.1
231.11748	4.4
233.13318	10.2
235.14734	11.0
237.12675	4.3
237.16338	7.3
239.14279	8.1
243.11507	5.7
243.13795	51.9
245.15363	9.6
247.14819	9.5
249.16348	11.7
251.14328	7.2
251.18013	5.5
253.15825	9.0
257.15546	5.8
261.16632	5.9
263.14178	8.8
263.18057	4.5
265.15805	8.3
267.13895	5.0
267.17407	5.0
271.16904	6.4
277.15833	6.7
277.19406	3.5
279.17441	14.8
281.15375	11.6
283.17093	6.6
285.14917	5.6
295.16998	14.2
295.20380	7.1
297.18555	11.6
303.17514	3.8
307.16980	16.1
313.18237	6.2
323.20129	8.7
325.18011	62.0
326.18387	4.5
343.19150	30.2
359.20236	5.2
363.23001	4.5
365.56204	3.9
371.22092	5.7
397.25586	3.9
415.26224	9.3
419.25967	13.6
421.23755	15.5
422.24344	5.3
425.24731	4.0
433.27548	8.2
443.25757	14.1
461.26892	23.1
479.28052	36.4
480.28226	4.6
497.17380	4.0
497.28500	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2902
Annotation	Caruifolin D
Peak:m/z	Relative Intensity
53.03953	4.1
55.01876	2.5
55.05510	27.6
57.07083	2.5
60.08155	8.3
64.27824	1.5
67.05509	13.6
69.03407	4.6
69.07072	9.6
69.26226	12.1
71.04997	3.6
71.07378	4.4
72.05299	1.4
75.67112	1.6
79.05483	9.9
81.07065	14.8
83.04979	32.8
83.08601	3.9
85.06548	2.4
86.09201	3.3
86.09702	33.3
87.10036	7.4
91.05482	17.9
93.07047	20.4
95.04965	7.1
95.08600	28.0
97.06541	3.3
98.98482	3.5
99.04455	5.3
103.17363	1.6
105.07026	26.7
105.91206	1.7
107.08581	14.5
109.06500	10.2
109.10155	8.6
111.04441	2.8
111.08073	6.1
113.05918	1.8
113.09715	2.2
115.05489	2.4
117.07006	6.9
119.04973	3.5
119.08578	28.6
121.06512	7.0
121.10117	8.1
123.08059	9.0
123.11702	2.3
125.00002	26.5
125.09673	2.5
126.00317	2.2
127.07478	1.7
128.06241	4.1
129.06999	7.9
130.07747	1.7
131.08568	18.4
132.05699	6.7
133.10117	15.0
135.08049	5.8
135.11667	3.5
137.09637	3.5
139.07559	3.2
141.07004	6.0
141.09126	2.7
142.07774	10.4
143.08562	16.8
144.09352	2.4
145.06429	2.3
145.10129	22.6
147.07988	8.0
147.11702	6.5
149.09602	5.4
151.07597	1.8
153.07005	2.5
153.09122	6.1
154.07779	3.9
154.76546	1.8
155.07242	2.4
155.08562	15.4
156.09338	6.2
157.06505	2.7
157.10136	25.7
158.10855	2.8
159.08104	3.6
159.11694	20.6
161.09576	7.7
161.13217	3.2
163.07622	2.3
163.11223	2.1
165.07011	4.9
166.07764	4.9
167.08549	8.5
168.09351	5.0
169.10120	18.3
170.10924	3.5
171.08041	1.6
171.11710	13.2
172.08861	2.0
173.09645	6.0
173.13269	7.6
175.07590	1.9
175.11226	4.3
177.09192	2.9
178.07732	1.9
179.08531	7.8
179.10635	4.3
180.09302	4.1
181.06541	1.8
181.08612	3.7
181.10133	12.4
182.10818	3.0
183.08057	2.4
183.11697	14.8
184.07339	100.0
185.07677	27.8
185.09613	5.6
185.13205	11.2
186.13889	1.6
187.11169	4.6
187.14775	2.2
187.43155	1.6
191.08563	3.3
192.09358	4.9
193.10170	9.0
194.10838	7.1
195.08084	3.2
195.11699	18.3
196.12390	3.0
197.09650	5.8
197.13226	13.2
198.13881	2.0
199.11179	6.5
199.14790	5.8
201.12759	3.3
204.09317	1.8
205.10138	6.0
205.12053	3.1
206.10902	4.9
207.10020	15.4
207.11838	14.8
208.12332	3.2
209.09558	3.5
209.13217	17.1
210.13979	2.6
211.07558	1.8
211.11208	4.6
211.14767	8.6
213.09071	2.8
213.12807	4.2
213.16367	2.4
215.14323	3.4
218.10895	2.9
219.11693	7.2
220.12494	3.7
221.13248	17.5
223.11180	4.9
223.14793	10.9
225.09117	4.8
225.12746	5.2
225.16370	5.9
227.10669	3.1
227.14319	3.4
228.15091	4.7
231.11699	2.8
232.12300	2.1
233.13322	5.6
234.13937	1.9
235.11075	2.3
235.14780	8.6
237.09229	1.7
237.12776	4.2
237.16382	7.0
238.06293	2.2
239.14325	5.0
239.18036	2.3
241.08504	1.7
241.12361	2.2
241.15891	7.4
243.13945	2.5
245.13258	3.1
246.14102	2.2
247.14856	5.3
249.12720	4.9
249.16394	6.2
251.14261	4.5
251.18045	2.1
253.08647	5.1
253.12195	2.4
253.15854	3.8
253.19487	1.9
255.13835	4.0
259.14777	2.4
261.12717	2.1
261.16373	4.6
263.14230	3.8
263.18069	8.9
264.18759	2.5
265.12183	2.3
265.15945	3.6
265.19431	3.4
266.05798	1.9
267.13788	6.0
269.15384	5.8
275.14276	3.3
275.17975	2.3
277.15833	3.7
277.19092	2.4
279.06485	2.9
279.13928	2.0
279.17502	4.9
279.20743	2.2
281.08105	7.0
281.15326	3.4
281.18958	3.8
283.16965	5.0
289.19595	3.6
293.15195	2.1
293.18997	3.7
295.17041	3.5
295.20526	3.5
297.07602	3.2
297.18314	3.0
301.17996	2.3
303.17477	2.6
305.18896	3.1
307.16864	3.2
307.20316	2.6
309.18347	2.0
311.05643	2.6
311.09113	5.5
313.07068	2.8
313.10547	2.2
321.18469	4.6
323.09253	4.3
323.19943	14.7
325.21542	2.6
326.07770	2.6
333.07425	2.5
339.19470	2.8
341.21185	3.4
343.11728	8.0
344.11765	1.8
349.21719	2.0
357.20557	5.2
361.21701	2.3
365.10187	3.5
365.20959	2.2
367.11786	2.3
369.13330	3.5
379.11649	2.4
391.26230	2.4
397.12720	3.0
405.28003	3.1
409.27988	2.0
415.26166	2.4
417.27863	3.1
419.25705	12.3
421.27859	11.4
422.28345	12.7
423.21606	1.9
423.28745	5.3
433.27454	6.0
435.28885	3.9
437.26822	4.5
443.25687	4.8
451.28308	7.1
461.26898	17.9
463.20267	1.8
463.28406	2.5
479.27930	42.0
480.28198	3.9
497.28864	18.0
497.35599	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.29
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14647	1.6
51.62891	1.5
53.03948	9.9
55.01876	3.0
55.05514	81.3
59.05007	3.8
62.24407	1.8
65.03941	4.4
67.05505	13.0
69.03434	3.4
69.07077	7.8
69.45739	11.3
71.05003	2.6
75.04478	2.8
79.05493	12.7
81.03438	5.5
81.07056	17.0
83.04985	100.0
83.08642	1.8
84.49299	1.7
85.06551	3.7
89.35079	1.7
91.05489	32.9
93.07047	26.2
95.04982	6.9
95.08618	20.0
97.06545	4.2
98.22718	2.6
99.04462	6.3
103.05511	2.6
104.06264	5.5
105.07047	29.8
107.04978	2.5
107.08578	19.4
109.02907	6.9
109.06526	7.8
109.07164	1.5
109.10159	8.4
111.04459	7.1
111.08100	7.3
111.43159	1.5
115.03955	4.0
115.05480	7.4
116.06248	2.7
116.24243	1.5
117.07048	13.9
119.04951	17.3
119.08593	30.4
121.06479	12.8
121.10165	13.0
123.08050	8.4
123.11807	2.0
125.09691	2.3
127.03939	4.5
128.06236	5.9
129.07010	11.2
130.07823	3.1
131.08568	20.3
132.05722	32.5
133.06552	3.1
133.10118	25.5
134.07292	3.1
135.08075	6.4
135.11696	3.7
137.05975	2.6
137.09645	3.0
139.07529	3.9
141.06999	5.6
141.09122	3.1
142.07768	12.7
143.08568	21.5
144.09412	3.3
145.06505	6.4
145.10130	25.8
147.08087	20.8
147.11678	14.1
149.06020	5.2
149.09601	3.9
151.07550	2.4
153.07002	4.2
155.08537	13.3
156.09386	9.1
157.10147	26.7
158.07285	2.1
158.10709	2.8
159.08086	7.3
159.11682	18.3
160.05191	2.5
161.06071	1.7
161.09653	7.4
161.13315	3.9
163.07465	3.2
163.11237	3.7
164.08360	1.9
164.34923	1.7
165.06999	4.5
165.09154	3.8
166.07809	2.8
167.08624	5.2
168.09383	3.9
169.06702	1.8
169.08646	2.6
169.10118	18.7
170.10870	5.2
171.08064	5.1
171.11691	19.6
172.08783	1.9
173.06178	2.0
173.09633	8.9
173.13269	11.9
175.07597	8.0
175.11172	5.3
177.05482	3.0
177.09129	6.7
178.07780	2.7
179.08595	7.9
179.10658	17.5
180.09360	2.6
181.10133	15.1
182.10973	5.5
183.08118	3.3
183.11725	14.7
185.09641	5.6
185.13252	8.2
187.11243	7.3
187.14883	5.9
189.09161	2.9
189.12778	2.6
191.08607	2.2
191.10709	4.2
192.07829	3.6
192.09436	2.6
193.10176	11.8
193.11906	1.9
194.10878	2.5
195.07887	1.8
195.10060	3.7
195.11662	19.1
196.12436	4.4
197.09657	5.9
197.13232	14.8
199.11252	5.9
199.14777	10.0
200.11885	1.8
201.12776	8.3
203.08662	2.6
203.10690	3.7
205.10194	3.6
205.12282	4.3
206.10957	5.1
207.10126	80.4
207.11745	10.9
208.08804	3.7
208.10567	4.1
208.12416	4.3
209.09677	3.9
209.13245	16.8
210.13837	3.9
211.07651	2.4
211.11223	6.6
211.14777	8.3
213.09109	2.6
213.12805	2.5
215.10683	2.6
215.14372	4.5
217.10246	2.1
217.12253	4.4
217.15814	3.2
219.08188	2.5
219.11690	4.8
219.13747	2.3
220.08844	1.8
220.12413	4.2
221.06122	3.2
221.13197	12.7
222.14053	2.5
223.07526	2.8
223.11180	5.0
223.14804	10.5
224.15483	2.1
225.05409	2.3
225.09230	3.6
225.12822	3.3
225.16394	4.6
227.06998	1.9
227.10710	4.4
227.14378	7.7
227.17975	2.1
229.12274	2.5
231.08121	2.1
231.13850	2.0
233.06085	2.7
233.13255	6.1
234.14082	2.8
235.07588	2.6
235.15042	10.0
236.15277	1.9
237.05319	2.6
237.12726	4.7
237.16431	7.0
239.07115	2.3
239.10709	2.7
239.18050	2.7
241.12299	4.8
241.15865	4.1
243.13824	7.1
245.13287	2.5
245.15413	10.3
246.13925	2.3
247.07730	3.0
247.14926	6.1
248.15596	2.4
249.05672	3.9
249.12724	3.0
249.16464	9.9
251.03506	2.8
251.06915	3.6
251.10794	3.8
251.14281	3.6
251.17871	3.2
252.04250	2.3
253.05118	2.2
253.15933	3.7
255.13924	4.0
257.15512	4.5
260.15695	2.9
261.14990	8.5
262.06308	2.3
263.07019	6.6
263.14243	3.7
263.17932	5.8
264.07690	1.9
265.05060	7.2
265.08701	7.5
265.15900	3.5
266.05905	5.9
267.06595	5.6
267.13770	2.2
267.17459	2.7
269.15491	4.3
271.16974	2.6
275.14386	3.5
275.18103	3.7
276.07617	1.8
277.08603	5.5
277.19388	2.2
278.05814	3.3
279.06503	5.8
279.09924	2.6
279.13940	2.4
279.17520	4.1
280.07349	3.5
281.05319	2.0
281.08090	10.2
281.15402	3.7
281.19022	2.1
282.05093	2.0
283.06281	3.0
283.09442	3.2
283.17218	2.4
289.15918	2.0
291.06693	3.7
291.10214	5.5
291.17343	3.8
291.20654	2.9
292.07318	3.2
292.10852	3.3
293.08127	7.2
293.15405	4.0
293.18991	3.7
294.05441	3.7
294.08768	4.1
295.06046	8.4
295.09442	3.3
295.17001	5.1
296.06540	2.9
297.04633	2.1
297.07523	9.6
297.18521	4.5
299.05704	3.4
303.17273	2.6
305.08133	7.0
305.18924	3.1
307.06143	4.1
307.09628	4.4
307.16959	2.0
307.20435	2.3
308.06662	4.3
309.07574	6.1
309.11069	2.1
309.18729	3.9
310.08612	2.3
311.05487	6.3
311.09012	2.8
313.07275	8.6
314.07706	2.1
315.08838	2.4
321.07614	4.5
321.18567	4.3
322.08374	5.9
323.09177	15.7
323.20129	7.7
325.07159	4.8
325.18112	2.8
326.07861	9.3
326.11325	2.2
327.08670	3.6
328.09485	5.5
333.07449	6.7
335.09225	5.3
337.10748	9.2
339.08701	4.5
339.19498	3.6
340.09427	3.5
341.21252	2.7
347.08951	3.2
347.20178	2.0
348.09781	2.7
349.07047	4.3
349.10770	3.0
349.21786	2.4
350.07669	2.5
352.09564	3.0
353.10223	3.3
355.11905	3.2
357.20795	2.5
359.20163	3.6
364.09457	3.6
365.10156	6.6
366.10950	5.3
367.11758	16.4
369.13443	11.0
371.48523	2.2
379.11456	9.8
379.23547	2.0
385.12723	6.2
387.19501	2.4
397.12869	17.2
397.25229	2.8
401.24994	2.9
403.22778	2.3
405.20724	2.5
410.13541	5.1
415.26392	6.1
419.26114	12.5
421.23630	6.7
423.21460	2.2
425.24783	4.3
433.27817	8.6
435.28824	5.3
437.26752	13.6
443.25937	9.2
451.28839	3.6
453.30084	13.0
461.26889	27.4
462.27307	4.8
463.28491	2.8
479.17249	3.0
479.27890	40.4
480.28256	6.9
481.29373	2.8
497.17752	6.1
497.28922	21.1
497.35605	2.6
498.29282	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	9.0
55.01873	20.0
55.05513	36.6
57.07069	7.0
57.57653	5.5
65.03944	9.3
67.05510	49.6
69.03429	41.3
69.07063	24.3
70.56624	17.1
71.04997	19.9
79.05496	45.0
81.03444	13.7
81.07052	76.5
83.04982	71.6
83.08639	10.7
85.02934	14.4
85.06557	11.9
91.05477	70.0
93.07044	81.8
95.04970	21.2
95.08606	78.2
97.06541	17.1
99.04459	15.9
99.08032	5.9
105.07031	74.9
107.04971	10.4
107.08591	42.6
109.02917	6.8
109.06517	90.2
109.10114	31.2
111.04455	22.9
111.08092	35.0
113.06024	9.7
115.05473	11.2
117.07018	22.3
119.08575	87.3
121.06519	21.6
121.10149	27.4
123.08080	28.9
123.11682	10.1
127.07565	14.7
127.32545	5.4
128.06210	22.1
129.07008	25.1
131.08571	48.2
133.06487	18.9
133.10130	58.4
135.08058	29.3
135.11707	14.0
137.05963	32.5
139.07542	41.2
141.06946	19.6
142.07797	25.5
143.08519	42.0
145.06474	9.3
145.10141	50.6
147.08067	14.8
147.11684	21.7
149.09644	18.5
149.13309	8.7
151.11201	10.0
153.06911	8.2
154.07771	9.7
155.07065	27.3
155.08562	41.0
156.09375	17.4
157.10124	100.0
159.08058	23.6
159.11694	42.1
161.09647	26.1
161.13297	14.0
163.11125	6.5
165.05598	6.5
165.06996	14.7
166.07593	7.5
167.07108	8.4
167.08548	16.2
168.09280	9.2
169.10143	58.4
170.10826	6.3
171.08168	12.7
171.11681	38.9
172.08849	7.9
173.09628	28.0
173.13326	14.4
174.13783	7.9
175.07457	7.5
175.11217	15.0
177.09138	9.6
178.07692	7.4
179.08601	21.3
179.10599	6.3
180.09419	6.6
181.10153	28.2
181.11995	5.5
182.10966	13.3
182.30217	6.9
183.08081	11.6
183.11681	52.5
184.12395	8.9
185.09631	13.6
185.13298	22.8
187.11200	16.5
187.14876	7.1
189.09117	10.0
189.12779	13.6
191.08598	8.2
192.09357	14.7
193.08647	8.5
193.10184	24.6
193.12115	11.1
194.10852	18.2
195.11673	39.6
197.09758	10.1
197.13231	40.1
198.10223	8.6
199.11203	23.5
199.14789	10.6
203.08672	6.1
205.10107	15.9
206.10953	14.6
207.11710	39.4
208.08911	7.1
208.12524	7.4
209.09633	10.9
209.13287	51.7
211.11162	16.0
211.14934	18.1
213.09221	7.5
213.12770	6.8
215.10654	6.3
215.14348	7.9
217.12247	21.2
217.18272	6.4
218.10889	15.1
219.11736	25.4
220.12456	12.5
221.13284	37.6
222.13858	10.3
223.11217	17.5
223.14807	28.3
224.11826	7.1
225.12808	17.4
225.16348	7.2
227.14297	17.2
229.12352	8.8
231.11748	19.4
231.13881	7.9
232.12416	10.8
233.13235	23.7
235.11256	9.1
235.14856	21.6
237.12755	22.3
237.16464	10.8
239.14415	10.5
241.12270	8.5
243.13907	14.3
245.13269	14.2
245.15466	14.0
247.11084	9.9
247.14775	17.0
249.12740	14.6
249.16396	8.8
251.14348	16.5
251.17943	8.3
253.15857	11.0
255.13863	9.7
257.15384	10.5
259.14893	17.9
260.15543	9.6
261.16367	21.1
262.17093	6.9
263.14471	12.2
263.18048	11.8
265.12186	6.4
265.15985	12.5
265.19614	13.7
267.13858	21.8
267.17111	9.4
269.15375	20.7
271.17108	7.5
273.16351	8.3
275.17923	13.9
277.12497	8.1
277.15738	7.6
279.13788	8.4
279.17505	10.1
281.15402	13.0
283.17102	10.6
289.15762	7.8
289.19379	8.2
295.16849	10.2
297.18610	11.6
303.17416	10.8
305.15430	6.6
305.18811	9.4
307.16895	9.1
307.20453	7.6
321.18549	17.8
323.20148	30.6
324.20572	9.8
325.21643	46.5
329.19028	10.1
333.18292	9.0
335.20044	8.2
341.20837	6.8
343.22711	11.1
347.20020	14.3
362.22739	7.3
401.24673	25.4
403.18970	9.5
415.26437	17.1
419.25867	18.0
421.20035	21.1
433.27515	16.5
443.25974	51.4
451.21198	10.2
461.27216	98.7
462.27426	11.7
479.28070	68.0
480.27356	6.7
497.21603	23.1
497.28796	79.3
498.28952	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	27.4
53.22355	4.4
55.05510	28.2
57.03445	6.5
57.07076	6.1
65.03927	6.7
67.05510	38.6
69.03436	20.6
69.07058	19.3
69.62273	21.2
71.04996	11.5
79.05492	45.7
81.03413	29.1
81.07062	61.9
82.07377	4.7
83.04990	30.4
83.08625	11.8
85.02870	4.5
85.06517	7.5
91.05485	62.2
93.07055	52.0
95.04980	16.7
95.08610	56.8
97.06548	11.6
99.04480	13.5
103.05458	8.7
105.07038	80.7
107.04971	9.8
107.08600	56.1
109.02885	21.5
109.06524	37.8
109.10175	26.1
111.04476	12.3
111.08093	7.6
115.05437	10.5
117.07029	28.3
119.08591	100.0
120.08930	5.1
121.06510	19.9
121.10148	36.6
123.04398	5.4
123.08077	17.3
123.11733	8.8
125.06007	7.5
128.06192	12.8
129.07019	26.2
131.08572	40.7
133.06512	12.5
133.10143	79.1
135.08047	21.9
135.11705	20.7
137.05991	16.7
137.09621	13.5
137.13312	5.2
139.07611	21.5
141.06967	10.5
142.07779	18.6
143.08569	47.2
144.09274	4.7
145.06467	13.4
145.10123	64.8
147.08032	15.7
147.11703	22.5
149.05984	6.8
149.09651	15.3
151.07574	9.5
151.11134	4.6
153.05475	5.5
153.06984	8.9
154.07764	4.8
155.07405	7.2
155.08549	35.8
156.09361	18.7
157.06540	7.9
157.10129	63.3
158.10791	7.8
159.08076	45.9
159.11703	35.1
161.06044	4.5
161.09618	39.1
163.07539	8.2
163.11250	8.7
165.05524	8.5
165.07008	10.0
165.09116	5.0
166.07724	9.4
167.07155	10.5
167.08595	22.8
168.09247	8.0
169.10132	47.3
170.10822	6.2
171.08051	13.5
171.11731	57.1
172.12120	5.6
173.09613	28.1
173.13327	12.9
175.07565	5.8
175.11217	21.2
177.09123	12.7
178.07854	4.7
179.07063	9.8
179.08575	18.1
179.10651	27.0
180.09343	7.8
181.10141	29.4
182.10902	15.8
183.06563	6.4
183.08107	9.5
183.11684	30.0
185.09656	15.3
185.13245	17.4
187.11217	43.6
188.11395	4.4
189.09105	12.8
189.12802	7.3
191.10600	5.9
192.09293	7.9
193.10155	24.7
193.12193	10.5
194.10950	6.4
195.11728	19.2
196.12357	7.1
197.09618	14.6
197.13272	47.7
198.13889	6.2
199.11197	20.0
199.14792	17.5
201.12796	9.8
203.10687	17.3
205.10242	8.9
205.12141	6.5
206.10863	10.8
207.11765	21.9
208.12459	9.6
209.09708	9.1
209.13255	32.5
210.14024	7.2
211.11305	8.2
211.13028	5.6
211.14857	16.2
213.12767	11.2
215.10719	9.9
215.14381	8.8
217.10391	7.1
217.12190	21.0
219.11719	15.8
220.12402	7.3
221.09673	7.1
221.13335	26.2
222.48308	5.0
223.11226	14.0
223.14815	19.8
225.12810	23.6
227.10712	7.3
227.14339	29.1
228.15106	10.5
229.12099	6.3
231.11720	5.8
232.12392	6.2
233.13315	10.1
234.14001	5.9
235.11217	7.9
235.14897	14.3
237.12767	12.3
237.16385	12.0
239.14426	8.2
241.12341	5.7
243.13838	30.1
243.17673	6.2
245.15480	8.8
246.14243	6.7
247.14790	17.4
249.12775	7.0
249.16406	9.8
251.17906	5.5
253.12227	5.9
255.13724	6.3
257.15503	5.7
263.14273	7.9
263.18066	6.8
265.12314	10.4
265.15753	8.3
267.13751	8.8
269.15341	10.5
270.16235	4.9
277.16010	8.9
279.14011	8.3
279.17413	12.7
279.20792	5.6
281.15405	12.3
283.17163	10.1
289.15778	5.6
293.18942	5.0
295.16998	14.3
307.16937	13.2
315.17352	6.8
322.19159	5.7
323.20023	10.8
325.18005	57.0
341.21072	10.3
343.19064	24.7
363.22992	6.3
364.23880	7.5
387.19714	5.7
419.26074	12.0
421.19971	8.6
433.28027	5.8
435.28839	9.1
443.26474	10.1
461.27112	16.5
479.28900	33.9
497.28510	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2909
Annotation	Ripostatin B
Peak:m/z	Relative Intensity
53.03940	9.4
54.95894	3.6
55.01871	11.3
55.05511	21.0
57.03429	6.3
65.03947	4.6
67.05503	54.4
69.03412	18.0
69.07057	13.6
71.04989	19.8
71.33745	3.2
73.02888	4.7
77.31820	3.5
79.05499	37.1
81.03413	17.1
81.07059	55.4
83.04980	30.9
83.08621	13.8
85.02898	9.6
85.06518	6.8
91.05479	50.5
93.07040	54.5
95.04956	25.5
95.08609	47.8
97.02873	15.2
97.06505	13.0
97.10184	5.8
97.73797	4.1
99.04453	6.3
105.07030	56.8
107.04966	7.3
107.08604	45.9
109.02864	5.5
109.06515	33.9
109.10155	40.4
111.04435	13.2
111.08070	24.5
115.03914	7.2
115.05453	8.7
117.07028	19.7
119.08578	69.3
120.08854	4.7
121.06503	22.2
121.10127	26.3
123.08072	19.7
128.06215	10.3
129.07016	19.3
130.07814	4.5
131.08572	44.4
132.08813	4.2
133.06516	11.3
133.10136	48.3
135.08044	21.0
135.11729	23.4
137.05962	27.1
137.09604	23.8
139.03842	5.3
139.07538	9.7
141.06984	12.6
142.07777	12.5
143.08545	40.5
144.09338	9.2
145.06514	8.0
145.10138	43.5
147.08038	19.3
147.11678	23.3
149.05943	5.5
149.09576	13.7
151.07605	3.8
151.11122	9.2
153.07001	4.4
154.07790	4.7
155.08516	25.4
156.09293	14.1
157.06509	5.7
157.10138	47.5
159.08032	19.4
159.11679	29.4
161.09616	22.9
163.11205	6.0
165.07010	8.4
167.08464	6.5
167.10736	5.4
168.09317	6.8
169.10092	28.8
170.10811	6.3
171.08002	7.8
171.11720	31.9
173.09605	24.4
173.13293	11.8
175.07524	10.7
175.11183	16.8
177.09111	8.9
179.08554	12.7
179.10620	13.0
180.09256	5.5
181.10162	21.0
182.10872	7.0
183.08081	5.3
183.11723	27.0
184.12489	6.4
185.09607	17.0
185.13202	19.2
187.07512	14.4
187.11185	26.5
187.14740	5.8
189.09126	7.9
189.12796	8.3
192.09300	5.9
193.10130	20.6
193.12141	11.7
194.10873	12.1
195.11681	24.7
196.12392	6.9
197.09601	12.4
197.13281	21.4
199.11198	25.7
199.14801	11.2
201.12695	9.2
203.10680	5.4
205.10248	5.3
205.12157	4.7
206.11005	7.2
207.11684	25.2
208.08852	5.5
209.09520	7.4
209.13248	23.9
211.11186	15.6
211.13133	8.4
211.14923	7.4
212.11620	4.9
213.12721	18.8
215.14305	13.3
217.12276	10.2
218.10921	5.4
219.11717	10.9
220.12248	9.3
221.13264	10.8
223.11189	11.1
223.14780	16.7
225.12703	17.5
227.10727	10.0
227.14322	15.7
228.15068	17.5
229.15758	8.3
231.11671	7.8
231.13747	4.9
233.13266	12.6
235.11192	6.0
235.14836	14.2
236.11855	4.8
237.12656	11.8
237.16420	9.3
239.14221	11.9
241.15839	4.9
243.13831	13.8
245.13206	8.0
245.15401	7.8
247.14679	10.9
249.12706	6.9
249.16316	11.1
251.14311	10.4
253.12279	5.1
253.15785	7.2
255.13812	4.9
257.15503	7.8
259.14801	7.8
261.16397	5.4
262.13730	5.8
262.16891	4.9
263.14264	8.7
263.17975	7.3
265.15842	8.4
267.13794	7.0
267.17365	7.2
277.19318	4.8
279.17319	5.2
281.15356	8.9
281.18967	7.8
295.17010	7.2
297.18497	5.5
305.18997	17.9
309.18549	7.6
313.17889	5.0
323.20041	19.2
325.17996	12.4
327.19583	49.9
333.18188	5.1
351.19476	5.6
351.23441	6.1
381.24521	5.9
401.17349	4.6
401.24634	4.5
419.25854	27.5
433.27618	8.1
437.26913	100.0
438.27124	5.6
439.24609	5.4
443.21158	5.3
443.25858	12.0
451.28592	4.3
453.29843	9.7
461.27545	33.7
479.28394	43.3
480.28345	4.4
497.29456	55.4
497.36856	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37088	2.0
53.03935	8.4
55.01867	9.5
55.05511	60.6
55.18780	2.4
57.03440	30.2
57.07072	4.0
61.02602	4.0
61.02924	74.6
62.83598	2.0
63.26416	2.3
65.03921	4.8
67.05505	100.0
69.03429	46.9
69.07072	26.8
69.56215	12.4
71.01357	5.7
71.04986	9.7
73.02919	35.1
79.05490	65.4
81.03419	26.7
81.07057	97.9
83.04982	65.2
83.08621	11.2
85.02902	70.4
85.06545	4.6
87.04471	4.9
91.03955	42.0
91.04893	2.3
91.05476	43.7
93.07043	80.8
95.04982	12.3
95.08603	70.8
97.02893	59.7
97.06528	9.7
97.10152	4.9
99.04473	11.6
99.08060	3.6
101.02367	10.3
103.03943	12.1
105.04495	3.4
105.07030	37.2
107.04976	2.4
107.08598	33.0
109.02860	14.1
109.06524	7.6
109.10154	39.0
111.04434	5.4
111.08092	4.8
115.03925	4.9
117.05540	2.4
117.07019	17.8
119.04904	2.3
119.08578	28.5
121.06506	6.3
121.10133	33.9
123.08099	5.8
123.11715	12.0
127.03912	17.8
129.05504	6.1
129.06990	8.3
130.05678	2.1
131.08575	25.5
131.83731	2.1
132.05804	3.0
133.06494	4.3
133.10118	24.9
135.08017	4.6
135.11684	24.6
137.13229	2.7
141.06955	3.8
143.08560	8.8
143.38699	2.3
145.04959	10.0
145.10155	15.9
147.08017	6.1
147.11703	16.6
149.09583	5.1
149.13274	12.8
151.11110	2.5
155.08604	3.5
157.06470	3.3
157.10110	5.9
159.08070	3.8
159.11687	15.8
161.13213	12.5
163.07587	2.3
163.14833	4.6
169.10089	4.6
171.11652	4.6
173.13248	18.7
175.14810	4.8
177.16385	2.8
183.06566	4.2
185.13271	7.1
187.11191	3.4
187.14793	4.2
196.05083	2.6
197.13283	5.9
199.14844	4.4
201.16389	3.8
207.10037	11.0
211.14954	2.6
216.07819	6.7
223.14896	3.1
243.21194	3.8
259.20605	3.0
261.22134	21.8
264.41174	2.4
265.08643	3.1
273.22086	2.8
273.63956	2.2
277.21439	3.0
293.08136	3.2
293.11560	3.4
297.07388	3.0
301.21658	3.4
303.23080	2.8
305.08069	3.6
313.07040	4.4
317.24850	3.0
320.10422	4.2
323.08987	2.6
335.25809	68.7
336.26157	6.5
337.10608	3.5
339.12042	2.6
345.24307	2.7
351.12137	5.0
358.17514	2.5
365.10147	2.9
366.14847	3.7
367.15378	7.1
369.24213	5.5
379.11685	10.4
387.25357	3.0
397.12634	12.4
405.26678	2.4
437.26135	3.1
441.83453	2.3
443.27811	3.8
479.29047	4.0
497.31256	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.6
57.07082	5.5
81.07066	6.8
83.04960	9.0
84.48766	5.3
89.06035	8.6
93.07067	8.8
98.22607	8.9
107.08581	9.5
109.10133	6.8
119.08629	8.2
133.08521	7.1
159.11717	12.3
175.34483	5.7
181.08620	7.3
183.84097	4.8
215.75883	6.2
243.22502	5.7
342.38245	5.6
418.91882	5.9
418.98474	5.8
497.20752	8.9
497.35010	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	8.8
57.03432	12.8
59.05005	3.7
60.80857	1.6
61.02919	8.0
67.05492	5.6
69.03429	26.3
69.07073	21.2
70.06583	5.9
71.01334	4.3
71.04980	3.9
71.29098	2.9
73.02918	38.3
79.05489	1.9
81.03406	6.9
81.07063	19.9
85.02426	3.5
85.02904	51.3
85.91567	1.5
87.04490	3.2
91.04006	2.4
95.04971	3.2
95.08602	6.4
97.02888	37.8
99.04459	2.5
103.33080	1.7
105.07018	2.7
105.49374	1.6
107.08588	6.4
109.02872	4.4
109.10152	11.1
110.72898	1.5
115.03918	20.9
121.10114	3.8
123.11707	100.0
124.12057	3.6
127.03916	13.1
133.04964	24.5
137.09602	1.8
145.04950	18.1
151.11180	35.0
152.58926	1.9
163.05983	7.8
169.12242	38.5
169.13608	3.2
187.13222	4.1
193.05067	2.6
212.79202	2.0
213.12431	6.0
223.05937	3.3
241.06946	3.3
259.07959	3.7
272.68484	1.8
283.15442	14.0
301.16559	3.6
313.16266	2.4
319.08093	2.3
346.66443	1.9
459.28677	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01875	5.3
55.05522	12.4
57.03442	6.3
58.82244	2.2
58.87188	1.8
61.02934	4.4
62.53141	2.1
65.14457	2.1
66.65002	2.0
67.05505	11.0
69.03434	3.5
69.07072	9.9
71.29214	3.4
73.02918	5.4
79.05506	9.2
81.03421	10.9
81.07044	11.7
82.04204	2.6
83.04985	6.6
83.08640	5.0
85.02921	6.0
85.36413	2.0
91.05501	9.5
93.07064	8.6
95.04971	7.8
95.08656	5.4
96.25800	2.1
97.02906	5.2
97.06534	6.9
97.10159	5.3
98.07347	2.8
105.07049	7.9
107.04971	3.2
107.08605	5.3
109.06561	3.5
109.10154	4.1
109.50476	2.1
111.08114	2.9
116.04762	5.2
117.06998	3.4
119.08554	3.8
120.56500	1.9
121.10154	2.7
123.08087	2.6
125.09661	9.2
127.03927	3.3
128.24323	2.4
129.05467	19.7
131.08577	3.0
133.10130	5.4
135.11726	3.0
143.07111	3.4
150.05492	5.5
151.05832	4.0
157.08653	6.4
171.10193	3.1
189.11334	3.8
193.12241	3.5
200.14125	2.8
227.12769	26.6
228.13171	3.7
267.15836	2.7
301.16476	100.0
302.16843	5.0
318.11691	5.6
332.80081	2.3
335.12427	5.2
336.12738	13.1
368.81284	2.2
499.21320	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09694	1.6
55.01873	2.1
55.05510	1.7
57.03439	26.8
59.04994	1.7
61.02926	7.2
67.05505	6.3
69.03429	27.5
69.03786	1.0
69.07065	23.3
70.06584	4.6
71.01340	3.1
71.05010	3.6
71.30048	2.0
73.02921	48.7
79.05495	1.7
81.03416	2.3
81.07060	21.3
83.04972	1.4
83.08640	2.6
83.45230	1.3
85.02908	36.8
85.45713	1.4
87.04470	1.9
91.03981	1.6
91.05490	1.9
93.07066	3.2
95.04973	3.9
95.08600	5.3
97.02889	46.6
99.04457	1.8
105.06998	2.0
107.08589	6.2
109.02895	2.9
109.10158	13.4
113.06004	1.6
115.03933	36.1
119.08604	2.2
119.27263	1.3
121.10223	1.6
123.11705	100.0
124.12115	1.9
127.03925	11.9
128.10727	2.1
133.04987	8.3
135.11797	1.8
137.09541	1.6
144.06633	2.5
145.04956	11.3
151.11182	39.5
163.06021	5.4
169.12247	30.0
187.13371	2.3
213.12357	4.4
241.07082	3.8
244.20001	1.5
259.08279	2.5
269.78299	1.4
283.15344	11.0
295.10269	1.6
301.16522	2.5
313.16455	6.1
335.07614	1.6
498.22690	4.2
499.23251	1.7
502.30338	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01637	1.1
55.01865	5.9
55.05514	14.8
56.14395	1.0
57.03446	9.6
57.07066	1.1
59.19222	0.9
59.69340	1.0
60.36331	1.1
61.02921	4.3
65.03943	1.4
67.05510	14.6
69.03420	3.3
69.07076	4.7
69.26830	7.5
70.28931	1.0
71.04992	4.0
73.02909	4.2
76.64350	0.9
79.05493	15.3
80.06298	1.1
81.03418	14.9
81.07063	14.0
82.04210	6.9
82.07404	1.2
82.07857	0.9
83.01339	1.2
83.04967	7.8
83.08614	7.1
84.02142	1.5
84.05731	1.2
85.02904	4.5
85.06532	1.1
91.03942	2.7
91.05473	11.6
93.07043	10.4
95.04974	14.9
95.08619	5.4
96.05791	1.5
97.02882	5.8
97.06537	4.8
97.10182	8.2
98.07295	5.7
98.22603	1.7
99.04460	1.6
101.06095	1.1
105.03393	1.1
105.07034	7.7
107.04955	3.3
107.08608	7.5
109.06498	3.1
109.10190	4.8
111.04443	1.7
111.08071	3.1
116.04696	7.4
117.06992	2.8
117.97852	1.0
119.08589	6.3
121.06523	1.7
121.10153	4.2
123.08077	6.4
125.09648	12.1
127.03959	1.2
127.11188	1.3
129.05492	19.2
129.06952	2.2
131.08591	3.7
133.10120	3.4
135.08066	2.4
135.11707	2.0
137.05956	2.0
137.09613	1.9
143.07031	5.6
145.10136	1.7
147.08017	1.3
147.11694	4.6
149.09593	1.8
153.09152	1.4
157.08617	10.4
157.10126	2.7
158.99377	1.1
161.09613	1.2
161.32841	1.1
163.11197	2.3
165.12799	2.0
169.12227	1.4
171.10118	3.5
175.11226	3.0
183.11632	1.5
185.11798	1.4
189.11256	6.6
193.12245	9.8
199.13361	1.7
200.14084	2.9
209.11650	2.4
209.78987	1.2
210.12444	1.7
211.13383	1.3
227.12782	33.5
228.13290	1.7
267.15921	17.8
268.16138	1.1
283.15366	3.1
284.16217	5.2
285.16852	2.0
301.16458	100.0
302.16879	3.9
399.63986	1.2
407.69931	1.1
498.21683	1.3
499.21591	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	11.5
55.01878	4.6
55.05515	46.6
56.05842	7.0
57.03429	4.9
59.79941	4.3
61.75592	4.3
64.93166	4.3
67.05507	31.5
69.03416	8.6
69.07064	17.1
71.31110	3.6
71.31518	6.4
74.60075	3.7
75.39802	3.2
79.05493	22.4
81.03403	4.2
81.07069	30.6
81.20641	3.4
83.04979	76.0
84.05318	6.8
91.05479	54.6
93.07039	70.0
95.04970	15.9
95.08607	60.9
96.82176	3.4
97.06506	6.0
99.04467	5.8
105.04519	4.7
105.07035	70.0
106.07362	6.8
107.04939	6.6
107.08585	37.3
109.06537	14.9
109.10158	14.6
111.04449	25.4
111.07455	4.1
111.08086	24.7
113.05994	4.6
115.05457	8.4
117.07024	53.8
119.08579	99.6
120.08928	4.3
121.06470	25.7
121.10150	27.0
123.08074	14.1
128.06232	10.0
129.07051	20.4
131.08562	63.1
132.09019	6.3
133.06508	13.9
133.10139	48.4
135.08060	20.6
135.11723	6.2
137.05971	5.6
137.09653	6.1
139.07539	18.5
141.07033	9.9
141.17972	3.9
142.07758	12.7
143.08583	35.1
144.09093	6.8
145.06499	14.4
145.10139	52.9
146.10480	5.2
147.08101	18.9
147.11708	28.1
149.09619	56.9
153.06943	6.2
155.08553	29.3
156.09364	12.5
157.10138	41.3
158.07289	7.1
159.08061	40.6
159.11720	26.4
161.05983	5.8
161.09631	14.2
161.13321	6.5
163.07533	6.6
165.07007	6.9
167.08560	12.6
168.09447	6.2
169.10158	31.3
170.10893	11.7
171.08064	7.1
171.11714	25.9
172.08662	4.3
172.12190	4.5
173.09624	38.5
173.13283	13.1
175.07587	5.8
175.11215	15.6
177.09096	20.9
179.08577	10.8
181.10078	29.5
182.10783	8.5
183.08038	6.5
183.11702	34.7
184.12051	4.9
185.09639	10.1
185.13255	15.6
186.13718	6.0
187.11282	9.8
187.14748	4.5
189.12712	6.9
191.10640	49.3
193.10085	14.5
194.10823	11.9
195.11664	25.2
196.12425	6.5
197.09590	6.4
197.13234	26.5
199.11185	10.6
199.14841	15.3
201.09053	19.1
201.12785	11.7
205.12238	4.3
206.10873	8.5
207.11717	24.3
208.12413	9.6
209.09607	5.0
209.13234	27.5
210.13829	7.8
211.11183	6.5
211.14809	18.0
213.12769	4.7
215.10768	4.9
215.14244	4.6
219.10121	100.0
219.13585	5.6
221.13190	20.3
223.11208	8.4
223.14810	14.2
225.12767	16.5
225.16376	10.9
226.16980	7.1
227.10587	6.7
227.14268	22.8
227.17892	5.6
229.12273	5.4
231.11612	5.8
233.13243	12.3
235.11195	5.2
235.14862	13.5
236.12167	4.5
236.15417	5.5
237.11017	20.9
237.16345	11.1
239.14311	21.0
239.17924	4.7
245.13332	7.8
245.15445	26.2
246.13849	4.8
247.11311	4.6
247.14734	13.9
249.12772	9.8
249.16309	7.7
251.14430	6.0
251.17912	11.0
257.15463	6.2
259.14771	4.8
261.16397	11.1
263.14209	10.0
263.17810	6.6
265.15784	6.5
265.19592	6.3
266.20142	7.0
275.14194	6.2
276.29584	5.0
277.15857	10.5
277.19226	4.7
278.16541	5.0
283.16895	9.3
289.16312	5.2
291.17514	4.5
297.18549	9.7
303.17657	6.4
305.18845	7.7
307.20490	4.3
310.85822	4.2
320.09814	4.7
323.20041	18.2
365.24789	47.3
366.25406	4.8
367.15198	4.5
399.14679	5.2
399.23251	12.2
403.22604	8.0
417.24222	61.8
420.25989	7.7
423.21591	6.0
427.22665	14.8
435.25223	45.6
444.26108	5.3
445.23688	29.8
445.28186	12.7
455.21777	11.4
462.27185	11.5
463.24152	27.6
463.28659	40.5
480.28238	18.5
481.29303	5.2
498.22534	6.3
498.29242	17.0
499.24734	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.05514	13.9
57.03419	1.9
57.07074	6.0
59.05000	19.7
62.57180	1.1
67.05508	4.6
69.03437	3.0
69.07069	96.9
70.16301	2.4
70.16691	3.6
71.08640	3.8
73.06560	4.9
79.05504	2.6
81.03416	2.8
81.06649	1.3
81.07042	6.7
83.04987	2.4
83.08638	4.1
85.02917	4.9
85.06593	1.4
85.10182	2.9
87.04478	5.2
91.05480	4.7
92.24333	1.0
93.07047	3.9
95.08608	7.3
96.08938	1.6
97.02902	3.8
97.06499	1.8
98.97588	1.5
105.05500	4.2
105.07027	6.0
107.08616	2.8
109.06483	2.0
109.10172	3.2
111.04433	1.3
111.08063	3.2
111.11719	100.0
112.12057	3.0
119.08608	3.9
121.06507	1.2
121.10149	2.7
127.03986	1.5
129.12755	83.9
130.13144	1.5
133.10149	4.0
135.08099	1.6
137.05949	2.0
139.03947	1.1
139.07486	1.4
143.08635	2.3
143.70473	1.3
145.10103	1.3
147.08084	2.1
147.11731	1.3
149.13284	1.3
153.05481	2.1
155.08470	1.4
157.10077	1.9
159.08089	1.3
161.09534	1.1
171.11597	1.2
187.16922	11.4
193.12218	1.4
215.16426	78.6
216.16743	3.6
232.92816	1.6
250.13455	1.4
319.21231	1.7
438.19928	3.5
439.20029	2.3
462.23148	1.4
498.28497	2.8
499.19351	2.0
499.29501	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.4
55.05516	45.5
56.05848	4.2
60.08121	3.5
67.05489	10.2
69.07056	3.1
69.09596	31.1
69.09931	7.4
79.05493	4.9
81.07063	7.1
83.04983	54.1
84.05302	12.0
86.09704	7.0
91.05465	8.2
93.07037	9.3
95.08598	19.3
98.22603	6.4
104.10741	15.8
105.07020	11.5
105.11066	6.2
107.08590	12.9
109.10125	7.2
111.04454	12.2
111.08057	4.4
113.05986	3.3
119.08588	20.9
121.06542	4.3
121.10114	12.0
123.08063	3.4
124.99970	4.8
129.07018	6.7
131.08554	12.9
133.10110	17.0
135.08055	9.1
139.07544	3.4
143.08572	14.8
145.10133	20.5
147.08099	4.2
147.11705	9.3
149.09563	3.8
151.46770	3.0
155.08521	6.1
156.09386	4.3
157.10115	19.7
159.11734	19.5
161.09627	7.3
161.13292	6.0
169.10065	9.0
171.11742	17.1
173.09560	6.2
173.13174	7.5
179.08540	4.6
181.10144	4.8
183.11682	16.7
184.07362	12.3
185.07768	4.2
185.09618	6.1
185.13240	15.2
186.07912	3.8
191.10699	4.2
193.10043	4.6
195.11690	8.7
196.12314	3.7
197.13222	6.8
199.14783	6.1
201.12708	5.5
205.10207	3.4
207.11646	9.2
209.13274	14.1
211.14844	9.4
215.10611	4.3
221.13266	15.6
223.11319	3.8
223.14856	9.2
225.12738	3.8
225.16377	6.0
227.14299	5.4
231.13898	5.1
233.13161	6.5
235.14807	7.7
237.16414	5.3
239.14354	6.0
241.12279	4.1
245.15332	3.8
247.14899	7.7
249.16362	10.4
253.15851	4.1
261.13007	3.9
261.16171	4.0
263.17834	5.2
271.16974	6.1
277.15933	3.2
277.19537	6.1
279.17294	3.5
283.16998	4.6
289.15933	4.7
289.19138	4.0
295.16864	6.7
297.18527	13.7
305.18790	8.8
323.20016	16.1
342.10974	5.3
349.21564	6.7
364.23682	5.1
370.13895	3.9
403.26297	28.1
407.21854	6.6
417.27762	8.9
419.29535	6.4
427.26282	8.8
445.27441	53.9
463.28436	100.0
464.28644	10.3
480.33292	4.0
481.29507	17.5
498.34467	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38001	4.6
54.48618	4.1
55.05510	5.0
67.05500	11.5
69.07038	4.6
69.22518	26.8
69.22923	11.0
79.05504	8.8
81.07051	16.6
83.04982	9.8
85.06534	7.8
91.05442	9.4
93.07045	16.4
95.04948	5.8
95.08605	21.0
98.23348	9.0
105.07022	14.4
107.08607	13.5
109.10125	8.7
111.08103	5.9
119.08580	15.8
121.10174	6.8
123.08079	7.5
129.06998	6.5
131.08568	10.8
133.10168	9.3
135.07996	7.2
142.07768	7.2
143.08521	14.1
145.10143	13.4
155.08539	13.4
156.09398	7.4
157.10109	16.0
159.11664	10.3
159.32292	4.4
161.09569	5.3
167.08603	10.2
169.10144	18.0
171.11707	11.5
178.07726	7.9
179.08531	17.1
181.10091	16.6
183.11694	9.4
185.13254	7.0
192.09320	6.1
193.10182	18.4
194.10852	8.2
195.11659	20.0
197.13278	19.0
207.11693	24.4
209.13174	25.7
211.14746	7.0
219.11557	6.2
221.13167	25.3
222.05402	4.8
223.14783	17.6
233.13177	6.2
235.14874	10.7
237.12808	6.2
249.12596	5.6
249.16489	11.7
251.14426	5.6
261.16483	7.8
263.17889	22.3
267.13812	10.6
269.15277	7.0
272.15405	6.4
277.15579	5.1
289.19653	6.5
295.16855	5.3
303.17401	6.2
305.18893	9.4
323.20044	19.0
363.23285	6.6
403.26321	86.0
404.26648	8.5
419.29501	13.5
427.26093	8.2
445.27539	39.5
463.28430	100.0
464.28656	11.3
481.29037	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	11.2
57.07089	3.4
67.05503	8.1
67.50807	1.7
69.07072	4.9
70.94241	2.6
79.05499	7.2
81.07059	14.2
83.04986	7.9
83.08620	3.5
91.05486	14.2
93.07055	17.7
95.04957	4.7
95.08607	35.2
97.10143	2.3
105.07018	22.1
107.08583	22.8
109.06526	5.8
109.10163	11.9
111.04467	2.2
111.08067	5.4
114.23440	2.2
117.07014	5.5
119.08575	20.0
121.06516	4.1
121.10160	16.4
123.08053	13.0
123.11724	3.6
125.09634	7.1
128.06192	2.7
129.07024	6.4
131.08534	11.8
133.10141	14.4
135.08055	3.2
135.11707	5.0
137.09610	6.1
139.07515	4.4
141.06992	3.1
141.09088	4.4
142.07808	5.5
143.08553	17.7
144.09300	2.5
145.10118	21.4
147.08064	3.3
147.11710	8.7
149.13249	3.3
155.08557	13.4
156.09410	3.3
157.10126	25.2
158.10757	2.4
159.08055	2.7
159.11700	19.8
161.09628	8.5
161.13260	5.5
163.11240	2.1
167.08557	3.7
168.09431	2.1
169.10080	17.9
171.11685	18.1
173.09578	3.5
173.13251	8.7
175.11162	5.3
180.09377	2.0
181.10158	8.5
183.11690	16.7
184.12210	2.1
185.09644	4.4
185.13275	14.9
187.11253	3.7
187.14819	4.3
189.12814	4.4
193.10133	4.6
194.10855	2.5
195.11688	13.9
197.09599	2.3
197.13225	18.2
199.14801	7.4
201.12738	2.5
207.11626	12.4
208.12296	2.5
209.13222	15.0
211.14822	10.8
212.15587	2.7
213.16344	2.7
221.13252	10.2
223.14847	12.3
224.15601	2.0
225.12770	4.5
225.16403	6.9
227.10660	2.6
227.14423	5.2
229.12285	3.0
233.13338	2.7
235.14841	7.9
237.16370	4.8
239.18007	7.4
241.15971	4.4
243.17484	2.7
249.12648	2.2
249.16455	4.1
251.14197	2.8
251.17976	5.7
253.12129	2.3
253.19550	4.4
257.19031	2.7
261.16281	2.5
263.17908	7.5
264.18469	2.5
265.15997	2.4
265.19507	3.6
267.17484	4.0
269.15472	3.8
271.95822	2.7
277.19595	2.6
279.21155	12.7
281.18973	7.3
281.22302	2.4
283.17160	2.2
297.22092	7.1
305.19211	3.1
307.20535	5.5
311.20264	3.1
322.22913	4.7
323.20016	6.6
325.21667	2.7
379.26254	11.0
393.27869	4.4
403.26276	7.1
417.27872	2.7
419.29422	32.6
420.29703	5.6
421.27316	71.4
422.27744	7.6
437.30530	100.0
438.30823	9.4
445.27316	7.2
449.30270	5.6
463.28452	65.4
464.28735	8.1
467.31689	10.7
481.29282	18.9
498.36047	6.6
499.16113	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69779	3.9
53.94104	4.0
55.05498	17.5
61.09613	3.9
67.05489	11.5
69.07069	7.6
73.23837	4.2
81.07055	13.5
83.04978	38.9
91.05513	8.4
93.07043	18.1
95.04966	7.7
95.08609	30.0
98.22652	11.1
103.05449	5.1
105.07023	18.2
107.08607	11.0
109.06500	6.9
109.10139	11.4
111.04450	22.1
111.08051	7.0
119.08598	25.0
121.06532	4.9
121.10110	10.3
123.08012	7.4
129.07005	4.9
131.08539	16.6
133.10141	14.1
134.09471	3.6
135.08052	8.0
137.72166	4.0
142.07816	6.4
143.08572	14.9
145.10104	21.3
147.08102	5.5
147.11693	15.0
155.08568	8.3
156.09325	7.4
157.10103	22.4
159.07994	5.1
159.11694	13.1
161.09602	9.2
163.11296	4.7
169.10118	16.4
170.10939	4.9
171.11688	29.8
173.09660	7.8
173.13298	9.3
175.11145	8.5
181.10101	11.1
183.11690	20.2
184.12564	5.1
185.09676	5.8
185.13211	16.3
193.10109	10.8
195.11694	19.3
196.12468	6.1
197.13251	8.5
199.11229	5.1
199.14781	7.7
201.12761	7.9
205.10077	4.6
207.11693	20.7
209.13235	19.9
211.14833	10.1
213.12793	7.4
215.14214	5.8
219.11713	7.7
221.13243	14.5
223.14838	19.1
225.12668	6.3
227.14360	8.6
229.15935	5.3
233.13286	10.3
234.13976	4.7
235.11179	6.5
235.14894	12.5
237.16443	10.2
239.14401	4.7
241.12274	5.3
245.15509	7.7
247.14799	8.4
249.16438	7.4
251.14197	5.9
251.17953	6.3
259.14545	5.2
263.18002	5.8
269.15274	6.0
271.16959	6.7
273.16013	4.9
277.19489	5.8
279.17651	7.0
281.15353	6.9
281.18423	5.4
283.16980	5.3
291.20892	5.6
297.18442	13.6
303.21191	3.8
305.19174	5.5
309.18362	4.8
323.19980	14.5
364.23978	6.6
387.25327	4.5
403.26318	44.8
417.28107	8.1
419.29251	14.4
421.27304	15.2
423.25333	4.6
427.26236	9.2
432.54495	4.5
437.31177	6.2
445.27399	44.8
462.15628	4.1
463.28470	100.0
464.28586	9.9
481.29208	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75162	4.8
55.05511	14.4
64.90678	4.6
67.05494	18.7
69.07062	6.5
79.05478	12.2
81.07052	19.8
83.04992	17.2
83.08648	4.2
91.05489	19.4
93.07041	24.2
95.04999	5.1
95.08604	44.0
96.08968	4.3
96.24805	4.5
98.22614	15.0
98.23335	15.2
99.04396	4.4
105.07041	25.0
107.04964	5.0
107.08602	33.8
108.13857	5.0
109.06489	5.1
109.10162	34.4
111.04411	5.9
111.08077	11.4
117.06978	11.6
119.08575	24.1
121.10155	12.3
121.56678	3.9
123.08041	8.0
129.06981	17.0
131.08560	21.2
133.10100	20.6
135.08081	9.3
135.11710	5.7
137.09656	7.2
139.07545	9.7
141.07013	6.0
142.07819	8.9
143.08572	28.7
145.10158	29.6
147.08093	7.0
147.11687	6.4
149.09663	6.6
154.07837	4.7
155.08568	18.6
156.09422	5.1
157.10133	42.9
159.08049	5.7
159.11685	24.0
161.09537	6.2
165.07040	5.5
167.08534	9.2
168.09167	5.3
169.10143	26.6
171.08141	10.3
171.11710	17.1
173.09608	10.2
173.13304	8.2
179.08572	10.5
181.10115	26.1
183.11691	31.2
185.09650	8.8
185.13292	10.6
187.11224	11.5
192.09366	6.0
193.10132	14.2
194.10912	6.6
195.11710	38.5
196.12321	4.6
197.09692	7.3
197.13225	13.8
199.11241	6.5
199.14783	4.8
201.12781	4.6
206.10995	4.7
207.11742	27.7
208.12402	5.8
209.09695	6.5
209.13252	27.6
210.13971	7.4
211.11169	8.3
211.14859	4.7
215.10699	6.8
221.13298	31.6
223.11224	8.0
223.14822	22.3
225.16325	6.6
227.10701	13.3
229.12263	4.9
233.13297	10.1
235.11224	8.3
235.14861	21.3
237.12729	10.0
237.16328	13.6
239.14415	6.2
245.13132	4.5
247.14740	11.2
249.12631	5.6
249.16451	10.1
255.13707	8.7
257.15390	8.8
263.14221	9.1
263.18011	16.8
265.15887	8.0
267.13943	7.3
267.17566	6.2
277.19235	6.1
279.17496	10.2
281.15369	8.1
283.17010	29.4
285.18625	5.5
287.17926	5.8
295.16980	11.6
297.18536	74.0
298.18881	4.8
299.20090	6.6
305.19019	27.3
309.18521	6.7
323.20093	100.0
324.20154	6.4
325.21680	9.4
326.11658	5.2
341.21198	29.5
349.21643	7.5
357.13150	7.3
385.21603	4.9
403.26257	10.3
405.24628	6.3
417.27795	5.6
423.25504	8.6
427.26382	14.2
445.27414	20.4
463.28598	52.0
481.29590	20.9
498.36639	12.4
498.45172	4.8
499.37787	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	9.8
55.05512	37.3
57.07063	7.4
59.04977	8.4
67.05513	36.4
69.03419	7.6
69.07085	18.8
70.32852	9.8
70.33178	21.1
71.05000	15.4
75.94046	8.4
79.05492	35.6
79.06120	6.7
81.07050	34.4
83.05006	45.8
83.08617	8.5
85.06533	38.9
90.72237	7.2
91.05482	36.1
93.07050	51.7
93.16174	7.2
95.04975	12.9
95.08611	66.7
96.08955	15.9
97.06522	17.4
105.07026	53.9
106.07368	17.9
107.08585	35.8
109.06527	19.2
109.10155	23.7
111.04485	10.6
111.08116	11.4
113.06002	26.1
117.07056	15.9
119.08588	47.4
121.06484	17.8
121.10167	20.6
121.68142	7.6
122.06796	9.3
123.08089	24.4
124.08395	11.7
125.09649	10.0
126.06464	8.7
129.07016	15.2
131.08571	23.6
132.08885	11.4
133.10136	22.6
135.08057	18.1
135.11702	16.7
137.09682	11.9
139.07530	8.7
143.08504	24.4
144.08920	11.9
145.10123	43.8
146.10454	18.7
147.08066	16.0
147.11703	14.1
151.11073	8.2
155.08580	21.4
156.09073	13.6
157.10159	41.1
158.10474	8.7
159.08031	14.1
159.11745	45.6
160.12003	16.1
161.09642	17.1
161.88554	8.5
162.09921	13.4
163.11176	16.7
167.08543	14.0
168.09271	10.1
169.10112	21.5
170.10529	9.3
171.07982	8.2
171.10165	31.1
171.11707	25.5
172.12044	11.0
173.09692	14.2
173.13298	16.8
179.08437	10.1
180.08998	11.8
181.10135	22.0
182.10497	8.3
183.11697	33.0
184.12088	10.6
185.13222	17.6
187.11058	9.4
187.14932	9.6
188.11555	13.5
193.10089	14.1
194.10582	16.6
195.11649	36.0
196.12143	21.8
197.13222	26.1
198.13747	10.8
199.11209	13.6
199.14825	13.2
203.10544	11.8
207.11679	30.2
208.12093	15.6
209.13246	26.6
210.10063	9.5
210.13637	12.7
211.14766	9.8
212.15167	13.8
214.13104	8.6
219.11687	10.3
221.13110	21.2
222.13528	10.2
223.11293	17.4
223.14801	25.3
224.11731	9.5
224.15250	10.6
225.12746	11.3
225.16550	7.8
226.16696	14.0
232.11870	13.3
235.07602	8.7
235.11195	10.4
235.14754	8.8
236.08308	12.6
236.11606	9.6
237.12799	10.5
237.16429	9.3
238.13055	8.3
239.14389	13.0
249.16635	8.0
250.13049	9.0
250.16661	10.4
251.17778	11.2
257.15479	9.6
263.13940	11.1
264.07730	26.9
264.18317	13.0
265.08493	14.1
266.05875	12.7
267.06436	51.1
267.13773	13.3
268.14380	8.9
269.11746	14.3
277.15897	10.5
278.09235	9.9
278.19839	8.6
279.10135	23.2
280.14398	8.9
280.17776	9.2
293.08179	17.0
295.09296	8.3
297.07556	25.5
297.18460	22.0
305.08011	10.1
307.09592	21.2
309.07452	16.4
309.18491	11.7
322.08270	11.2
322.18958	10.5
323.09079	11.4
323.19904	29.9
329.10156	31.3
337.10675	22.1
339.12082	18.2
351.12009	11.3
354.10938	23.4
369.13168	37.4
382.13751	22.9
392.26318	10.4
398.12988	10.8
413.16016	26.6
419.25772	9.1
420.26050	47.0
422.23969	24.5
427.26163	8.7
434.27618	15.8
436.29153	67.9
437.30841	8.9
438.27075	32.6
439.27573	9.6
445.27328	29.0
453.18805	8.8
462.27127	61.4
463.28394	63.3
480.28177	100.0
481.29001	18.2
498.29269	31.2
499.19690	28.4
499.30566	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48100	5.7
52.48331	5.3
55.05494	18.5
55.85546	7.1
57.07079	10.9
67.05519	30.2
68.27593	6.6
69.03441	7.1
69.07069	8.4
74.84539	5.5
79.05474	8.2
81.07066	36.5
83.04987	12.8
86.46246	6.8
88.07626	9.1
91.05463	15.9
93.07043	26.5
95.08607	45.7
97.06533	6.4
98.23436	14.8
102.76355	5.8
102.87913	5.5
105.07005	19.0
107.08611	29.5
109.06522	10.5
109.10148	34.4
111.04449	9.3
117.06998	9.5
119.08558	31.0
120.19025	6.6
121.10136	12.4
123.08062	14.5
124.71782	5.6
129.06993	13.2
131.08592	19.6
133.06448	9.9
133.10164	24.4
137.09573	8.9
139.07556	12.3
141.07022	9.8
142.07832	7.9
143.08572	18.9
145.06493	6.3
145.10100	27.5
147.07997	7.3
147.11671	10.5
149.13351	6.4
155.08580	14.1
156.09325	8.7
157.10086	46.4
159.11635	27.3
161.09563	7.9
169.10129	30.2
170.10864	5.7
171.11703	9.5
173.09624	10.0
175.11148	8.9
179.08464	7.0
180.09204	9.8
181.10167	14.1
183.11681	27.7
187.11246	14.5
193.10123	22.3
195.11664	35.8
197.08174	17.1
197.13237	15.7
199.11256	5.6
201.12805	7.5
207.11684	32.4
209.09816	5.7
209.13251	25.0
211.11154	8.6
211.14857	8.1
221.13264	33.8
221.15076	5.7
223.11073	7.4
223.14821	20.5
224.67921	5.8
233.13406	7.7
235.14809	20.6
237.12857	7.5
237.16348	13.3
241.12242	7.1
242.24786	12.4
243.13953	7.4
247.14954	6.6
249.12805	9.4
255.13921	13.2
263.14304	10.2
263.17865	21.5
265.15750	7.3
265.19492	8.6
267.13721	14.1
269.24759	9.3
277.15857	6.2
277.19711	7.3
279.17462	10.9
281.15424	10.5
283.17029	23.8
283.26321	15.1
297.18527	64.3
305.19067	14.7
307.20505	9.2
309.18637	7.0
323.20053	100.0
324.20633	8.1
325.21582	11.3
341.21066	26.3
362.49335	6.5
423.25308	6.8
427.25992	8.5
445.27335	14.7
463.28613	41.4
481.29306	14.8
498.48474	32.3
515.06262	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27129	3.2
53.15594	4.0
55.01899	3.3
55.05507	12.1
56.48166	3.8
67.05502	17.7
69.02761	38.7
69.07067	9.2
77.49858	4.3
79.05486	10.7
81.07066	22.3
83.04992	14.7
91.05481	17.7
92.98095	4.2
93.07034	25.2
94.72552	4.7
95.04984	6.8
95.08603	45.2
97.06504	6.4
105.07034	23.2
107.08598	22.4
109.06549	9.9
109.10152	33.6
111.04417	10.3
111.08086	4.8
117.07038	16.3
119.08584	31.4
121.06523	9.9
121.10147	16.5
122.13686	3.3
123.08015	9.3
128.06287	3.9
129.07011	29.4
131.08556	17.7
133.06468	10.8
133.10132	21.0
135.08057	8.2
135.11678	5.8
137.05969	8.7
137.09613	4.3
139.07552	10.5
141.07004	7.4
142.07774	7.0
143.08566	24.9
145.10118	32.5
147.08118	5.5
147.11711	6.0
154.07761	4.8
155.08545	15.9
156.09335	7.9
157.10126	42.2
159.08110	7.7
159.11714	16.7
161.09642	8.5
165.07005	4.7
166.07774	4.5
167.08585	10.8
168.09323	8.2
169.10129	21.9
171.08098	9.9
171.11742	13.1
173.09631	12.3
173.13261	8.1
175.11272	7.5
178.07732	5.2
179.08595	6.3
181.10126	20.0
182.10883	4.4
183.11664	23.8
185.09593	5.2
185.13216	8.8
187.11157	11.7
189.09102	6.2
189.12805	5.3
191.10701	4.0
192.09265	5.3
193.10143	11.9
194.11047	4.5
195.11684	43.4
196.12357	7.0
197.09637	7.5
197.13274	19.4
199.11205	8.8
199.14810	7.1
206.10872	4.4
207.11656	24.9
209.09758	5.6
209.13245	23.7
210.13916	7.6
211.11250	9.2
211.14864	6.8
219.11652	4.7
220.12433	5.1
221.13280	29.2
223.11188	4.4
223.14786	22.5
225.12746	6.3
225.16383	5.0
227.10690	7.4
233.13348	6.8
234.95778	4.0
235.14754	15.7
237.16446	13.7
238.13370	4.3
239.14198	4.1
243.13777	8.5
245.13139	4.4
247.14726	10.2
248.15446	5.6
249.12706	10.3
249.16418	9.0
250.16960	5.0
251.14157	5.2
254.12964	4.3
255.13789	11.2
257.15359	12.3
261.16422	7.3
263.14276	9.6
263.17969	16.2
265.15924	8.8
267.13922	9.5
275.14423	4.6
277.16098	5.2
277.19385	4.0
279.17505	9.7
281.15448	11.2
283.16953	49.9
285.18497	9.8
291.17612	5.4
295.17059	7.3
297.18478	100.0
298.18869	5.9
305.18912	14.6
308.17715	6.0
309.18372	6.7
319.06607	4.8
323.20044	97.8
324.20444	6.8
325.21667	7.8
327.11951	4.2
341.21048	28.1
387.23260	8.7
405.24124	10.3
423.25201	15.6
427.26270	8.7
437.26938	5.6
438.20178	9.4
445.27368	14.4
462.26947	5.6
463.28580	36.0
480.28308	4.8
481.29382	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	23.8
61.65925	9.2
67.05511	17.5
68.58640	8.7
69.40149	69.9
72.01656	10.3
78.08907	10.3
79.05516	15.3
81.07062	22.4
82.92406	10.3
83.04993	24.3
91.05488	13.5
93.07067	33.6
95.08572	26.2
95.43928	9.7
98.70526	10.1
105.07044	29.6
107.08612	32.2
117.07034	13.5
119.08596	31.2
121.06524	16.5
131.08578	18.3
133.10117	21.6
135.08069	19.6
145.10165	30.6
147.08223	13.4
149.09689	13.4
155.08649	12.1
157.10185	26.4
159.11678	24.5
161.09630	24.3
171.11803	15.9
177.09103	14.2
183.11740	16.4
189.09132	16.6
201.12665	13.0
208.12073	13.3
209.13260	15.5
213.12857	14.9
239.14323	13.1
297.18744	14.1
439.28397	26.8
445.27402	84.6
462.26990	18.5
463.28470	100.0
480.28412	16.2
481.29208	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	7.6
55.05512	100.0
56.05843	31.0
57.06153	3.2
63.34552	2.4
64.72380	2.2
67.05503	4.2
69.07079	3.0
69.08432	9.0
69.08853	16.9
76.49187	2.8
79.05471	4.6
81.07057	8.9
83.04984	99.2
84.05316	34.4
85.05381	3.5
90.07002	2.5
91.05496	4.8
93.07038	8.8
95.04981	5.1
95.08601	13.0
95.37745	2.7
98.22593	3.9
105.03416	15.3
105.07039	10.6
107.08605	9.7
109.06527	11.8
109.10139	3.3
111.08126	3.2
115.05370	3.0
117.06992	4.4
119.04948	5.2
119.08589	12.5
121.10123	3.1
128.06210	5.5
129.07027	5.0
131.08569	7.5
132.05704	3.7
133.10133	7.1
134.10490	2.9
142.07774	2.8
143.08595	5.4
145.06462	4.0
145.10124	8.1
147.08076	3.5
149.09549	2.9
155.07007	5.1
155.08543	4.3
157.10120	7.6
159.07997	3.9
159.11716	4.4
161.09540	5.0
165.07132	2.7
168.09315	3.0
169.10143	5.3
171.11688	3.7
175.11325	3.3
179.08278	3.1
181.10100	3.7
183.11758	3.9
185.09659	2.8
185.13225	3.0
193.10205	2.8
194.10706	2.7
195.11690	4.3
197.13312	3.5
203.07036	4.2
205.10165	3.4
207.10095	6.4
207.11841	5.3
208.08701	2.7
208.10513	7.8
208.12408	2.6
209.13283	6.1
215.07039	6.4
216.07617	16.7
217.08110	12.8
221.13264	4.4
223.14841	3.7
235.14871	3.1
236.08008	3.2
237.09137	2.7
242.08939	2.5
247.14662	2.9
248.08165	3.6
249.16257	2.9
250.06126	3.5
251.06802	4.2
251.14346	3.6
254.08958	4.0
255.06067	2.9
263.06879	5.6
264.07523	5.8
265.08652	5.4
266.05609	4.2
266.08865	5.1
267.06174	3.4
276.07593	4.7
277.08380	6.0
278.08954	4.2
279.06229	4.3
280.06955	4.8
292.06860	7.8
293.07834	6.1
294.08347	8.2
295.05493	2.8
295.09033	3.1
296.06430	5.8
296.09866	4.6
304.07135	5.1
305.07803	8.7
306.08389	8.1
307.09320	6.0
308.06393	5.0
308.09818	4.3
309.07208	4.2
310.07898	3.6
310.11215	4.2
314.07257	4.4
320.06509	3.5
320.10083	6.3
321.07285	4.9
321.10931	5.2
322.07925	7.1
323.08871	5.1
323.19983	3.3
324.09399	5.7
326.07516	4.5
327.08160	3.6
327.23206	8.8
332.06598	4.2
333.07169	5.1
334.07980	9.6
336.09335	3.9
337.10153	6.5
338.10831	6.0
339.11166	3.8
342.10596	3.3
343.11050	4.1
348.09393	8.3
350.07355	4.9
352.12439	3.3
353.09253	3.3
355.11542	4.3
365.09756	6.1
366.10522	8.8
368.12039	5.9
369.12735	3.4
370.12952	10.0
379.11575	11.5
380.12061	37.6
397.12146	9.1
398.12784	33.6
416.97339	2.9
427.26569	3.7
438.27014	3.0
439.27182	3.8
463.28265	10.5
480.28119	4.0
481.29559	7.7
519.08765	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14155	13.7
57.48180	12.9
67.05498	20.4
68.02796	12.8
69.21287	100.0
81.07038	19.4
81.21255	13.4
91.05462	22.2
93.07094	16.0
95.08597	44.9
107.08597	17.2
109.10146	25.0
119.08589	14.9
135.11597	16.1
145.10190	24.1
157.10118	32.0
159.11758	25.1
169.10068	17.6
171.11766	15.3
181.23395	13.9
183.11642	17.4
195.11691	26.4
197.13318	15.5
207.11745	14.6
207.39978	12.0
221.13217	24.5
234.96703	17.4
263.18088	19.0
283.17166	17.0
297.18430	22.6
323.19983	41.9
341.21136	22.2
463.28363	18.5
481.29340	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	12.9
67.05510	19.6
69.03419	5.6
69.07062	10.8
71.04996	4.4
71.31248	5.3
75.02762	4.3
79.05491	14.4
81.07063	28.4
83.04976	13.2
91.05491	18.0
93.07072	25.7
95.04964	4.2
95.08611	48.3
97.06520	4.7
98.22665	4.5
101.55795	4.0
105.07038	20.0
107.08594	23.0
109.06523	5.1
109.10147	29.3
111.04440	8.4
111.08101	10.7
117.07029	10.4
119.08582	20.0
120.96662	7.9
121.06445	5.2
121.10143	11.9
123.08069	7.2
123.11716	7.2
129.06970	14.8
131.08560	14.9
133.10136	11.4
135.08025	5.8
135.11664	9.2
137.09612	7.4
139.07520	14.1
141.06993	7.3
142.07739	10.0
143.08533	18.6
145.10135	25.7
147.08081	4.3
149.09673	5.6
155.08554	9.6
156.09343	6.6
157.10133	35.7
158.10884	6.7
159.11653	21.1
161.09563	4.0
161.13254	4.6
164.00864	5.9
167.08575	7.3
168.09279	6.2
169.10114	28.5
169.11284	4.3
170.10710	4.0
171.08034	7.0
171.11661	15.4
173.09630	7.3
173.13245	10.4
175.11188	9.4
178.07831	4.4
179.08591	7.0
181.10146	22.4
182.10957	3.2
183.11629	26.3
185.09613	6.0
185.13211	7.9
187.11160	9.1
192.09319	6.5
193.10184	17.4
194.10896	4.5
195.11702	33.4
197.09639	4.4
197.13225	11.8
199.11154	8.6
199.13162	3.8
201.12787	3.9
206.10999	6.5
207.11707	29.8
208.12338	6.7
209.09645	6.2
209.13245	25.7
211.11237	6.3
211.14786	8.0
215.10619	6.8
218.50026	4.5
219.11829	6.9
221.13345	33.5
222.13919	7.1
223.11319	5.7
223.14844	17.8
224.15579	3.6
227.10724	10.1
233.13351	7.9
235.14833	16.1
237.12758	4.8
237.16438	12.9
247.14821	8.5
248.15663	5.2
249.12750	7.3
249.16394	9.3
251.14468	5.2
251.17834	5.7
253.15919	4.1
255.13753	10.3
261.16434	6.4
263.14200	9.9
263.17899	15.9
265.15762	8.3
267.13824	7.3
277.15915	6.3
277.19379	4.9
279.17365	4.4
281.15378	9.4
283.16953	25.1
285.18436	7.4
287.17834	8.4
289.15588	4.6
289.19308	3.8
291.17438	5.3
293.15201	5.7
295.16879	9.7
297.18494	59.6
298.18863	6.1
299.20267	4.9
305.18994	24.7
307.20749	5.2
309.18213	4.7
323.20074	100.0
323.63474	4.2
324.20370	10.0
325.21588	10.6
341.21088	34.4
364.19711	4.4
385.21762	3.8
387.23059	5.0
405.23849	4.4
413.00439	4.5
427.26303	15.5
437.26746	4.7
445.27292	16.5
455.21640	5.7
462.26855	4.6
463.28378	42.7
480.28482	4.8
481.29318	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.6
55.05515	19.0
56.82203	2.4
63.00203	2.4
65.03927	3.0
67.05500	16.5
69.03455	2.4
69.07054	8.6
69.28799	14.4
69.29208	3.9
75.28071	3.1
79.05490	10.9
81.07055	15.8
83.04987	26.4
83.08649	2.9
85.06540	5.1
91.05483	26.5
93.07047	30.3
94.04056	3.0
94.07399	2.6
95.04977	8.3
95.08606	41.0
96.02660	2.8
96.08958	3.4
97.06532	5.1
103.05482	3.3
105.07024	44.7
106.07346	3.8
107.08611	20.6
109.06550	8.3
109.10155	9.4
111.04431	12.0
111.08094	13.1
113.06036	3.8
115.05450	5.3
117.07011	19.9
119.08586	41.2
121.06508	10.7
121.10154	16.7
123.08054	9.2
123.35394	2.6
128.06218	4.4
129.07001	11.2
130.07739	2.6
131.08565	35.8
132.08894	3.2
133.06485	6.2
133.10112	28.8
135.08043	10.4
135.11679	6.1
137.09619	2.8
139.07520	11.7
141.06982	3.7
142.07747	8.5
143.08559	23.5
144.05643	2.4
144.09203	3.1
145.06493	6.3
145.10127	30.3
147.08006	8.4
147.11690	12.0
149.09610	20.5
155.08548	18.0
156.09222	5.1
157.10121	34.3
158.10658	3.9
159.08041	17.6
159.11676	18.3
161.09618	9.0
161.13231	4.3
163.11224	4.0
165.07021	3.9
167.08502	4.2
168.09384	3.3
169.10104	24.8
170.10690	3.7
171.08026	3.1
171.11732	19.9
172.08769	3.1
172.12027	5.9
173.09628	16.5
173.13228	7.8
175.11189	8.6
177.09148	8.0
179.08589	7.4
179.10669	4.2
180.09384	3.4
181.10081	15.9
182.10658	3.6
183.08076	3.7
183.11670	18.3
184.12387	5.2
185.09650	5.3
185.13216	8.4
186.10225	3.1
187.11206	7.6
187.14813	3.5
189.12700	6.7
191.10745	15.2
192.09283	3.3
193.10114	11.1
194.10674	6.9
195.11688	20.7
196.12239	7.8
197.09631	5.8
197.13271	13.0
198.13744	3.5
199.11136	4.8
199.14821	6.0
201.09146	4.5
201.12743	9.7
205.10019	3.2
206.10925	3.1
207.11682	19.4
208.12259	6.4
209.13275	17.7
211.11194	8.5
211.14795	11.4
213.12758	4.0
217.10193	4.1
219.10086	24.7
219.13765	8.0
221.13313	19.4
223.11362	2.8
223.14825	12.3
224.11839	4.6
224.15276	3.6
225.12704	6.8
225.16399	8.4
226.13280	3.1
227.14290	7.2
227.17888	3.1
233.13258	5.9
235.14832	12.2
237.11035	5.0
237.16214	3.3
238.17039	3.2
239.14285	9.1
241.12392	4.0
245.13145	5.6
245.15331	10.2
247.14746	5.4
248.15416	5.5
249.12595	6.1
249.16325	4.9
250.17169	3.7
251.10536	3.5
251.14107	4.9
251.18071	3.0
253.15988	3.2
257.15503	3.6
258.13992	3.0
261.16287	6.9
263.14334	5.6
263.18002	2.7
265.15805	3.3
267.13785	3.6
269.15302	6.5
271.17496	3.1
277.15851	4.8
277.19376	3.8
279.13828	5.0
281.15366	6.5
283.16934	3.3
287.17737	3.5
289.15747	2.6
295.16919	5.2
297.18469	3.7
300.20181	2.9
301.19223	2.8
303.17328	6.1
305.18878	6.5
305.22537	2.7
306.19260	2.8
309.18597	3.2
323.19983	13.7
324.20639	5.4
325.21609	7.6
331.20642	3.5
364.23877	4.8
365.24719	13.2
366.25223	2.9
385.21375	5.2
417.23712	14.7
427.26520	7.3
435.25412	14.3
438.26859	5.3
445.27246	19.5
462.27094	7.6
463.28717	100.0
464.29095	12.9
480.28345	16.3
481.29172	3.1
498.29651	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27129	3.2
53.15594	4.0
55.01899	3.3
55.05507	12.1
56.48166	3.8
67.05502	17.7
69.02761	38.7
69.07067	9.2
77.49858	4.3
79.05486	10.7
81.07066	22.3
83.04992	14.7
91.05481	17.7
92.98095	4.2
93.07034	25.2
94.72552	4.7
95.04984	6.8
95.08603	45.2
97.06504	6.4
105.07034	23.2
107.08598	22.4
109.06549	9.9
109.10152	33.6
111.04417	10.3
111.08086	4.8
117.07038	16.3
119.08584	31.4
121.06523	9.9
121.10147	16.5
122.13686	3.3
123.08015	9.3
128.06287	3.9
129.07011	29.4
131.08556	17.7
133.06468	10.8
133.10132	21.0
135.08057	8.2
135.11678	5.8
137.05969	8.7
137.09613	4.3
139.07552	10.5
141.07004	7.4
142.07774	7.0
143.08566	24.9
145.10118	32.5
147.08118	5.5
147.11711	6.0
154.07761	4.8
155.08545	15.9
156.09335	7.9
157.10126	42.2
159.08110	7.7
159.11714	16.7
161.09642	8.5
165.07005	4.7
166.07774	4.5
167.08585	10.8
168.09323	8.2
169.10129	21.9
171.08098	9.9
171.11742	13.1
173.09631	12.3
173.13261	8.1
175.11272	7.5
178.07732	5.2
179.08595	6.3
181.10126	20.0
182.10883	4.4
183.11664	23.8
185.09593	5.2
185.13216	8.8
187.11157	11.7
189.09102	6.2
189.12805	5.3
191.10701	4.0
192.09265	5.3
193.10143	11.9
194.11047	4.5
195.11684	43.4
196.12357	7.0
197.09637	7.5
197.13274	19.4
199.11205	8.8
199.14810	7.1
206.10872	4.4
207.11656	24.9
209.09758	5.6
209.13245	23.7
210.13916	7.6
211.11250	9.2
211.14864	6.8
219.11652	4.7
220.12433	5.1
221.13280	29.2
223.11188	4.4
223.14786	22.5
225.12746	6.3
225.16383	5.0
227.10690	7.4
233.13348	6.8
234.95778	4.0
235.14754	15.7
237.16446	13.7
238.13370	4.3
239.14198	4.1
243.13777	8.5
245.13139	4.4
247.14726	10.2
248.15446	5.6
249.12706	10.3
249.16418	9.0
250.16960	5.0
251.14157	5.2
254.12964	4.3
255.13789	11.2
257.15359	12.3
261.16422	7.3
263.14276	9.6
263.17969	16.2
265.15924	8.8
267.13922	9.5
275.14423	4.6
277.16098	5.2
277.19385	4.0
279.17505	9.7
281.15448	11.2
283.16953	49.9
285.18497	9.8
291.17612	5.4
295.17059	7.3
297.18478	100.0
298.18869	5.9
305.18912	14.6
308.17715	6.0
309.18372	6.7
319.06607	4.8
323.20044	97.8
324.20444	6.8
325.21667	7.8
327.11951	4.2
341.21048	28.1
387.23260	8.7
405.24124	10.3
423.25201	15.6
427.26270	8.7
437.26938	5.6
438.20178	9.4
445.27368	14.4
462.26947	5.6
463.28580	36.0
480.28308	4.8
481.29382	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60183	3.6
53.03943	4.0
55.05512	68.3
56.05846	8.5
59.04969	3.4
67.05505	16.3
69.03444	4.0
69.07043	3.8
69.10658	13.8
69.11085	14.0
79.05482	12.9
81.07053	21.8
81.77847	3.3
83.04983	100.0
83.99925	3.4
84.05329	19.6
87.04507	4.1
91.05488	18.6
93.07042	24.9
95.04989	6.6
95.08601	28.8
97.06545	5.6
99.04485	4.5
105.07037	20.3
107.04951	4.0
107.08611	23.7
108.08925	4.3
109.06537	6.3
109.10161	8.2
111.04424	8.6
111.08073	7.7
115.05482	5.8
117.07014	8.9
118.84890	3.3
119.04834	4.1
119.08588	25.1
119.40723	3.7
120.08886	6.6
121.06485	8.3
121.10130	12.1
123.08050	9.0
125.05997	4.9
128.06218	6.5
129.07034	6.6
131.08556	15.4
132.05714	15.8
133.10114	13.0
135.07990	8.4
135.11693	4.0
141.06989	6.4
142.07698	5.8
143.08554	14.7
144.08891	3.6
145.10136	23.2
146.10493	4.5
147.08023	14.1
147.11690	8.0
148.08478	4.3
149.09618	5.1
155.08519	12.6
156.09254	5.7
157.10126	15.3
159.08028	5.4
159.11688	12.6
161.09598	9.6
163.11108	4.1
165.07014	5.4
167.08527	5.2
168.09245	4.1
169.10164	20.2
170.10658	4.5
171.08022	5.3
171.11682	14.9
172.12073	4.7
173.09599	5.4
173.13217	6.1
175.11191	6.7
179.08495	8.0
179.10678	7.3
180.10928	5.6
181.10104	7.6
183.11726	12.5
185.09630	5.8
185.13232	6.3
187.11136	9.7
188.46574	3.4
193.09985	8.3
194.10701	4.4
195.11656	12.8
196.12019	4.4
197.09537	7.3
197.13272	9.5
199.11176	3.9
199.14865	4.0
201.12717	4.7
205.10063	3.8
206.10641	3.6
207.10075	35.9
207.11552	4.9
208.10503	22.9
208.12262	6.2
209.09483	7.5
209.13226	11.4
211.11200	4.1
211.14795	8.0
214.13300	3.4
219.11659	6.2
221.13219	15.0
222.13672	6.3
223.14742	15.2
224.15182	5.6
225.09035	5.6
227.14175	7.7
235.14749	4.8
237.12732	7.6
239.14301	4.6
241.15918	4.2
243.13882	5.2
249.16408	5.5
251.06749	7.1
251.14345	8.0
251.17850	3.5
252.03723	4.4
253.15955	3.6
263.06900	4.5
263.10364	4.1
263.14435	5.8
263.17703	5.6
265.05383	4.7
265.08600	3.7
265.15967	4.6
266.05569	5.0
267.06125	6.0
267.13602	4.6
268.06979	4.3
268.14008	3.4
279.06525	4.2
279.17496	4.8
280.06903	6.9
281.07965	7.9
291.17264	3.7
293.15414	3.9
294.08536	7.0
294.19171	3.7
295.05890	4.9
296.09952	3.9
297.07401	4.8
297.18451	4.4
298.07932	6.9
303.17279	3.9
308.06735	4.5
308.10019	7.0
309.07489	6.4
310.11572	4.2
311.08902	5.9
313.06989	7.1
314.07428	6.5
320.59729	4.1
322.08270	4.0
323.08792	6.1
323.20123	8.4
324.09421	10.5
325.10291	3.7
325.21457	3.8
326.07553	8.3
327.08249	7.8
329.09836	5.1
336.09552	5.3
338.10962	6.4
341.09940	8.0
341.20883	4.5
342.10611	8.7
343.11725	6.7
351.08118	6.7
365.09802	6.7
366.10510	5.5
367.11542	7.9
368.12091	12.5
370.13617	8.5
379.11108	4.1
385.12106	4.2
397.12582	7.3
398.13370	17.6
399.14645	4.3
403.26401	5.5
404.23047	9.1
405.20749	5.0
411.13702	5.3
417.27676	5.8
422.23959	9.8
434.27594	4.4
436.29007	5.4
441.20181	4.5
445.27161	13.0
454.30145	9.1
462.27484	16.3
463.28735	32.9
464.28485	5.0
480.28372	25.9
481.29712	30.3
482.29993	4.9
498.28958	9.9
499.24487	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	5.5
55.05501	15.5
67.05496	23.3
69.03430	29.7
69.07080	7.9
69.61468	10.2
69.61885	15.3
70.03771	7.4
72.78806	4.5
79.05499	14.1
79.65092	4.6
81.07056	30.0
83.04977	20.8
91.05488	18.4
92.37197	4.6
93.07058	25.6
95.04943	9.7
95.08622	56.8
97.06510	6.4
105.07039	15.0
107.08588	21.5
109.06503	11.6
109.10175	17.6
111.04457	7.0
111.08106	8.9
117.07051	9.4
119.08585	22.1
120.96679	17.0
121.06533	9.2
121.10117	12.3
121.95550	4.4
123.08083	10.9
123.11658	7.5
128.06227	7.7
129.06993	15.9
129.74461	5.1
131.08540	14.7
133.06549	6.7
133.10095	11.5
135.11676	5.1
137.09607	8.3
139.07521	30.7
140.07860	8.6
142.07805	11.7
143.08574	16.6
145.06473	5.7
145.10094	24.2
147.11707	6.0
147.30737	4.5
155.08542	13.7
157.10107	39.7
159.08052	5.0
159.11700	21.9
161.09776	4.7
164.00813	11.6
165.07008	5.9
167.08577	9.2
169.10097	23.7
170.10548	6.3
171.08035	7.4
171.11700	14.9
173.09621	5.1
179.08432	7.1
181.10112	19.7
183.11667	26.5
185.13260	12.1
187.11185	11.4
191.76306	5.4
192.09367	11.2
193.10138	15.0
195.00291	14.3
195.11700	34.3
196.12131	5.5
197.13258	13.6
199.11185	8.5
206.10970	7.1
207.11697	33.0
208.12317	7.2
209.09793	5.5
209.13258	22.4
211.11201	7.0
211.14729	5.7
219.11803	6.6
219.44403	6.6
220.12442	6.3
221.09758	5.9
221.13293	25.7
223.11070	8.4
223.14859	14.4
225.12697	6.1
229.12204	7.5
235.11220	9.8
235.14841	19.1
237.12726	5.9
237.16455	11.9
241.15642	5.4
247.14732	13.9
249.12801	10.1
249.16319	6.7
255.13789	8.4
257.15509	8.4
261.16425	7.6
263.14404	5.3
263.17960	12.1
265.15759	7.1
267.13577	11.5
267.34033	6.1
274.96234	4.7
281.15253	5.7
281.18808	5.2
283.13821	5.6
283.16983	23.1
285.18417	6.1
287.18015	6.0
295.16965	11.5
297.18414	53.4
305.19022	19.9
306.19434	7.4
323.20053	100.0
324.16577	4.8
324.20380	11.4
325.21475	12.0
327.12665	5.9
335.25494	8.5
341.21054	35.5
405.24274	7.0
420.18826	16.4
420.26379	6.4
427.26273	8.2
438.20303	12.2
440.78149	5.9
445.27347	16.7
455.21609	17.7
463.28275	42.4
480.21350	7.2
480.28250	9.7
481.29333	19.2
498.21835	5.6
499.16977	19.0
499.24084	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	87.2
56.05836	15.7
57.07061	8.1
65.19040	6.7
67.05495	23.5
69.07068	11.8
69.09312	50.1
69.09709	16.4
72.96766	7.3
79.05489	15.8
81.07058	14.4
83.04979	100.0
83.05405	11.0
83.08643	7.3
84.05326	19.1
85.64752	6.3
91.05479	22.2
93.07064	27.7
94.43913	6.0
95.04988	18.0
95.08626	34.5
105.07022	24.9
107.08611	29.0
109.06551	7.2
109.10159	9.5
110.26000	7.1
117.07050	10.5
119.04927	13.4
119.08610	29.0
121.10146	16.8
123.08072	10.2
129.06944	6.9
131.08554	25.8
132.05736	20.5
133.06081	20.4
133.10115	16.5
135.08067	11.0
142.07811	8.7
143.08606	15.8
145.10123	27.9
147.08014	16.8
147.11646	12.5
148.08443	7.4
154.83495	6.8
155.08543	10.9
157.10127	22.1
159.11681	16.8
160.75500	7.4
161.09612	11.1
167.08533	11.8
169.10115	26.5
171.11710	16.8
173.09579	13.4
173.13235	11.1
175.11339	7.4
179.08487	10.1
179.10709	8.2
181.10089	10.5
183.11687	10.3
185.13229	9.8
187.11206	9.9
193.10027	10.3
195.11710	20.3
197.13268	13.8
199.11185	13.8
201.12849	6.7
206.11058	9.7
206.24452	7.3
207.10080	60.8
207.11499	8.9
208.10530	48.3
209.13277	19.7
211.11301	9.8
211.14891	14.7
221.13210	22.0
223.14914	11.8
225.12817	8.5
235.14900	9.7
237.16374	9.9
245.15372	10.4
249.16393	11.0
251.14194	8.4
263.17944	11.9
283.05777	7.0
295.20602	9.0
297.07468	8.0
300.53116	7.0
323.20105	15.3
324.09573	11.0
341.21249	8.2
367.11584	10.8
368.12006	12.0
369.12921	9.4
370.13654	12.6
380.12051	13.1
398.13058	19.8
417.27921	14.9
421.27435	14.5
435.28873	8.8
445.27200	19.6
463.28568	33.1
464.28937	10.1
481.29642	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82213	2.5
53.03951	2.8
55.05516	10.8
57.07063	2.5
67.05507	16.8
69.07061	12.2
70.34361	2.7
71.31441	4.0
79.05491	12.1
81.07044	19.9
83.04976	12.1
83.08610	3.0
85.06546	3.6
91.05464	15.7
93.07044	25.8
95.04975	5.5
95.08601	45.3
97.06502	4.4
103.47347	2.3
105.07029	26.3
107.08591	30.5
108.34623	2.5
109.06531	7.3
109.10136	17.0
111.08081	7.5
113.05964	2.9
117.07015	10.5
119.08586	33.9
121.06537	5.4
121.10139	22.5
123.08070	11.9
123.11725	7.4
125.09611	3.9
129.07025	6.9
131.08554	21.5
133.10112	21.9
135.08028	5.6
135.11679	7.8
137.09680	5.9
139.07487	4.2
141.06975	4.1
141.09111	6.3
142.07803	3.8
143.08577	25.2
144.09261	3.5
145.10123	33.7
147.08061	6.6
147.11703	13.8
149.09636	4.1
149.13287	4.2
155.08578	13.1
156.09320	6.8
157.10114	36.0
159.08104	4.1
159.11681	28.6
161.09612	11.9
161.13280	8.9
163.11151	6.0
167.08598	4.4
169.10136	24.4
171.11699	27.8
173.09644	4.8
173.13272	14.6
175.11220	4.8
179.10767	3.6
181.10141	6.1
181.12051	2.6
183.11684	23.5
185.09642	5.8
185.13246	15.5
187.11217	8.0
187.14915	3.8
189.12787	3.6
193.10092	4.3
194.10825	5.8
195.11729	14.1
195.13480	3.0
196.12457	4.3
197.13271	14.7
197.41937	2.7
199.11195	7.2
199.14804	11.8
201.12773	2.7
201.16418	3.2
205.12213	4.1
207.11700	8.7
209.13206	17.5
210.13937	3.3
211.11234	3.6
211.14812	15.3
213.12709	6.4
213.16406	5.8
215.14314	5.0
217.12263	3.6
218.29329	2.6
221.13222	9.4
223.14798	8.5
225.16417	9.9
227.14340	8.1
228.18681	2.8
229.12125	3.4
233.15404	5.9
235.14734	7.4
237.12775	3.5
237.16380	8.4
239.14320	3.5
239.17975	5.0
241.15817	4.3
243.13626	5.1
243.17468	4.2
247.16920	7.6
249.12584	2.8
249.16429	5.6
251.14320	4.9
251.17841	5.8
253.15849	7.2
253.19469	5.6
263.14218	3.6
263.17932	4.6
267.13702	3.6
267.17398	5.3
271.16934	5.2
277.19504	4.1
279.17477	2.8
279.21121	4.4
281.18979	8.4
283.16614	3.0
285.18469	3.3
287.20169	3.4
291.20999	4.6
297.18365	3.4
297.21838	3.9
299.20007	4.8
307.20508	5.8
309.22067	10.7
311.20081	5.3
313.21432	3.2
321.22083	3.4
325.21439	6.2
327.23236	18.7
335.23813	4.2
379.26379	5.2
395.29266	3.4
403.26163	6.1
407.29807	5.1
411.25305	5.1
413.28253	4.6
413.72882	3.1
419.29239	14.6
421.26993	25.6
431.29501	19.7
437.30536	48.8
438.30936	6.3
445.27292	4.8
449.30551	44.1
450.30524	4.7
463.28296	30.9
467.31485	100.0
468.31839	10.1
481.29495	17.2
498.35565	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	16.0
57.07068	3.9
67.05496	21.5
67.79453	3.2
69.07079	7.9
69.58465	16.6
69.58848	5.3
77.02702	3.9
79.05486	9.6
81.07037	23.9
83.04977	16.9
83.08625	4.2
85.73235	3.5
89.06013	3.7
91.05479	12.9
93.07050	26.1
95.08610	42.1
97.06520	6.3
105.07034	20.3
107.08606	23.6
109.06516	4.2
109.10162	18.7
111.04493	6.7
111.08073	12.0
113.06012	3.7
115.67517	3.3
117.07020	5.2
119.08578	29.1
121.10151	23.0
123.08077	9.0
123.11715	7.3
128.44748	3.8
129.06987	7.0
131.08577	15.3
133.10130	21.6
135.11697	5.9
139.07576	4.4
141.09052	3.9
143.08572	15.6
145.10104	21.3
146.05991	5.1
147.08078	7.3
147.11676	12.4
155.08517	7.5
157.10114	30.5
159.11697	24.8
161.09607	6.9
161.13202	6.2
163.11244	4.0
169.10138	14.8
171.11668	20.6
173.09673	8.2
173.13260	13.3
174.92326	3.4
175.11226	6.3
175.14796	6.7
181.10088	6.8
183.11700	12.8
185.13287	14.3
186.13751	3.6
186.91708	3.6
187.11165	7.9
187.14851	5.2
189.12753	6.4
191.08505	3.7
191.25273	4.0
195.11703	5.4
196.12221	3.8
197.13310	10.7
199.11168	6.4
199.14822	11.2
201.12796	8.3
201.16411	5.7
205.12337	5.7
207.11758	8.0
207.13655	6.1
209.13258	12.2
210.41713	3.4
211.14848	9.1
213.12794	4.6
213.16443	5.3
215.14352	9.4
217.15823	4.9
221.13249	4.5
223.14786	10.3
225.16367	7.5
227.14523	3.5
231.17368	3.8
233.15361	11.8
235.14781	5.7
237.16338	11.4
239.14276	5.7
239.17920	6.7
248.86800	3.3
249.16344	3.9
253.15805	5.3
253.85951	3.4
255.17451	7.7
261.18600	4.3
263.18033	6.9
265.15915	4.1
265.19598	4.9
269.19061	3.7
274.03558	3.3
291.21164	4.7
307.20444	5.1
309.22214	6.2
311.20309	4.1
313.21420	4.2
335.23724	7.8
368.27515	4.4
375.23151	4.6
407.29520	27.4
411.25473	6.8
413.28256	9.2
421.31219	16.4
431.29495	81.1
432.29837	7.7
432.69446	4.0
443.16898	3.3
449.30481	100.0
450.30704	13.5
467.31595	70.5
468.31891	7.2
469.33435	3.5
481.33136	4.2
495.59085	3.3
498.36200	19.5
499.37622	4.2
522.33099	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.9
53.52909	3.6
55.05519	25.0
56.04793	4.0
58.69450	3.9
65.51970	3.5
67.05517	26.4
69.07065	16.2
71.30444	5.4
79.05482	16.7
81.07063	35.1
83.04975	39.2
83.08604	5.3
91.05481	17.1
93.07053	45.3
95.04964	9.8
95.08610	47.8
97.06525	6.8
99.04445	4.9
105.07043	29.3
107.08611	43.9
109.10155	28.3
111.04411	20.9
111.08060	10.0
114.05928	4.3
117.07020	10.2
119.08581	55.8
121.06529	6.1
121.10133	23.4
123.08085	9.5
123.11680	6.9
129.07010	6.5
131.08545	30.9
133.10132	43.9
135.08037	10.3
135.11678	19.0
135.12611	4.4
137.06003	4.2
137.09578	4.4
139.07535	7.3
142.07776	7.0
142.66017	3.9
143.08533	25.3
145.10124	36.6
147.08095	9.4
147.11690	33.9
149.09599	7.0
149.13260	8.6
155.08525	9.2
156.09290	7.9
157.10109	50.4
159.08038	8.4
159.11676	58.0
161.09634	17.2
161.13249	21.4
163.11195	13.5
169.10130	14.2
171.11681	38.0
173.09630	6.1
173.13235	20.3
174.14069	12.6
175.11165	14.8
175.14851	7.1
180.08914	4.1
181.10207	6.3
181.12265	5.7
183.11685	22.6
185.09578	8.6
185.13258	26.3
187.11201	15.1
187.14839	13.4
189.12779	10.9
195.11684	11.2
195.13625	4.0
197.13231	23.0
199.11259	11.2
199.14838	16.8
201.12761	17.4
201.16382	8.3
205.12291	8.0
207.11850	8.5
207.13831	15.1
209.13271	14.0
209.15210	4.8
211.11269	6.0
211.14865	10.4
213.12733	9.8
213.16461	5.3
215.14471	9.8
219.11920	5.0
219.13873	6.6
221.13260	10.0
221.15350	7.7
223.14844	17.5
225.16449	6.7
227.18002	7.5
229.15858	14.4
231.13773	6.6
233.15282	5.4
235.14767	6.1
237.16412	7.4
239.14317	11.7
243.91376	4.4
245.15465	5.8
247.14745	6.1
247.17050	8.0
249.16299	9.8
251.17819	6.4
253.15837	11.3
257.19183	5.9
259.16940	10.0
265.19339	5.2
267.17349	6.7
271.16898	6.5
273.18649	20.4
275.20139	12.3
281.19104	5.0
281.22708	7.3
283.17001	5.6
285.18497	6.1
291.21124	8.6
297.18564	10.8
299.20120	8.4
307.20673	5.2
309.22180	15.6
311.19949	6.4
323.19949	5.3
325.21597	10.4
327.23154	22.7
337.21597	4.7
358.13831	5.2
367.26111	7.1
368.27051	11.7
375.23239	5.9
403.25958	6.7
413.28391	4.6
421.31061	13.7
431.29483	48.0
449.30569	95.2
450.31210	8.1
463.28528	8.2
467.31567	73.6
468.31705	8.2
498.29166	8.0
498.36221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	11.7
55.05508	26.7
56.03120	7.6
67.05502	32.6
69.07062	31.9
71.31363	11.0
79.05508	25.5
81.07058	75.4
83.08614	14.2
91.05503	23.0
93.07050	53.3
95.04967	12.6
95.08617	67.8
97.06566	11.9
97.10148	9.0
105.07021	52.0
107.08564	47.9
109.10160	31.0
111.04443	30.0
111.08069	12.5
117.06989	15.1
119.08585	100.0
121.10154	96.6
122.10502	10.5
123.08041	23.3
123.11697	29.0
129.09123	15.2
131.08556	40.9
133.10130	64.8
135.11684	37.7
137.05986	22.1
143.08594	33.6
145.10132	72.6
147.08080	20.8
147.11693	27.1
149.09618	11.7
155.08533	21.5
156.09306	11.9
157.10097	39.0
159.08084	46.7
159.11688	42.4
161.09619	21.1
161.13229	20.3
168.45442	9.4
169.10141	26.7
171.11662	28.5
173.09637	45.0
173.13281	38.7
175.11168	17.0
175.14912	12.0
185.09660	14.7
185.13286	19.4
187.11145	28.1
187.14857	30.8
189.16321	11.4
197.13235	24.5
199.14868	13.6
201.12750	34.5
209.13275	17.0
215.14333	33.2
217.15718	10.3
219.13834	11.6
225.12990	10.9
229.15918	15.5
233.15285	20.3
243.17320	11.8
247.16913	12.2
249.18538	11.4
269.24957	12.4
273.18478	9.9
407.25790	28.9
431.29431	22.6
449.30383	48.5
481.33102	18.6
498.36124	22.5
498.48706	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	18.2
59.05000	10.6
67.05502	9.6
69.03436	25.6
71.04997	42.3
71.31618	5.6
77.38779	4.9
79.05493	20.8
81.03425	13.1
81.07061	85.1
91.05495	19.6
93.07046	24.3
95.04966	10.4
95.08630	24.0
98.97596	7.2
99.04470	29.4
103.05475	62.7
105.07046	37.8
107.08559	9.2
109.06530	28.3
109.10185	7.8
110.92575	5.7
117.06982	14.1
119.04995	6.6
119.08578	25.9
121.06540	11.2
121.10135	10.7
123.08112	14.3
131.03435	6.6
131.04944	100.0
131.08580	16.8
133.06526	21.0
133.10132	10.6
135.08087	8.6
137.05988	94.2
139.07578	24.7
140.26466	5.3
142.07796	8.3
143.08583	11.4
145.10136	24.0
147.08023	10.5
147.11678	11.2
149.09650	6.8
155.08563	12.4
157.10086	19.4
159.08087	16.8
161.06009	29.4
161.09639	10.7
163.07558	39.9
165.07059	7.7
167.08559	10.0
169.10193	12.3
171.11758	10.0
173.09686	14.5
181.10213	9.3
183.11766	5.8
185.09575	6.1
187.11250	7.1
189.09074	7.6
193.10043	8.5
195.08034	8.0
195.11749	12.9
197.09622	10.0
197.13255	15.4
203.10675	6.8
205.10335	7.3
206.10703	6.7
207.11699	8.1
209.13358	6.5
211.11182	12.8
219.11775	8.7
221.13196	10.7
223.11211	13.1
225.09122	5.6
225.12769	7.9
237.12735	10.6
239.35109	5.6
249.16476	7.6
263.14182	6.3
263.17697	6.7
279.06421	6.7
291.10104	6.3
323.09232	8.7
331.09482	7.7
337.10529	9.3
349.10696	11.1
351.12094	12.0
353.10110	7.7
365.10110	16.0
369.16956	10.1
371.14856	8.4
380.12610	19.4
381.13486	14.0
382.13876	6.6
395.14661	15.9
397.12732	13.1
401.19669	11.5
412.15070	8.0
413.15964	10.4
421.20074	13.2
437.19260	14.2
439.21078	25.1
449.19693	7.8
463.20859	11.0
469.22141	20.3
481.22021	28.8
481.28891	8.9
499.23260	71.4
499.29599	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.05512	33.5
59.15760	1.2
69.64796	6.2
79.66505	1.0
83.04978	26.4
98.23234	1.6
118.61924	1.1
152.06216	1.3
165.07108	2.2
178.07802	1.6
179.08556	1.3
181.06383	1.7
182.07347	1.2
183.08087	2.2
195.00427	1.2
195.08083	2.5
197.05933	1.8
198.06772	2.2
200.38853	1.2
205.06477	2.4
207.07951	2.0
208.05420	1.2
210.06711	2.8
211.07597	3.5
213.09135	3.4
219.08083	2.3
219.10129	3.9
221.05980	1.5
221.09526	1.8
222.06813	4.1
223.07503	2.2
224.08339	2.3
225.05527	2.2
225.09125	4.2
226.06203	2.7
227.07042	2.1
233.06044	1.3
234.06851	2.1
235.07510	2.9
236.08282	2.4
237.05464	4.3
237.09106	2.5
238.06186	4.1
239.06982	2.9
239.10634	1.8
240.07802	5.3
241.04991	2.9
241.08667	5.8
247.07510	1.4
248.10628	2.5
249.05556	1.9
249.09071	1.9
250.06252	4.8
251.06956	6.2
252.07784	5.3
253.05016	2.4
253.08598	5.7
254.05730	5.3
254.09335	1.4
255.06505	1.9
256.07333	6.3
257.04526	1.5
263.07166	2.8
264.07791	3.1
265.04712	1.6
265.05856	1.3
265.08618	10.4
266.05713	4.5
266.09326	2.1
267.06570	5.2
267.10031	8.3
268.07227	4.9
269.04379	2.5
269.08160	5.1
269.19659	1.2
271.09720	1.5
277.08521	2.5
278.09152	1.5
279.06561	2.3
279.10190	1.9
280.07324	3.9
281.08084	18.3
282.08682	2.8
283.05988	2.4
284.06790	15.6
285.07538	4.3
286.08496	1.4
289.08481	1.9
291.06586	1.5
292.07272	3.5
293.08118	11.9
294.08853	2.7
295.06036	6.4
295.09674	11.9
296.06879	2.8
296.10178	1.6
297.07611	13.3
297.10925	1.6
298.08209	2.3
299.05701	2.2
299.09106	21.3
300.06403	2.1
300.09677	1.4
305.08151	2.2
307.09549	3.4
309.07581	3.5
309.11246	3.1
310.08350	5.2
311.09189	13.0
312.06476	2.8
312.09592	2.2
313.07083	4.3
313.10526	1.5
314.07910	1.6
315.08606	4.7
319.09647	1.5
322.08112	1.8
323.09085	3.9
324.09836	2.1
325.07132	1.5
325.10696	16.1
326.11380	5.0
327.08640	64.3
327.11969	3.1
328.09320	8.9
329.06503	3.0
329.10199	5.3
335.09116	2.9
337.10599	3.3
339.12354	3.9
341.10129	3.6
341.13879	1.8
342.10968	100.0
343.11649	18.0
344.08884	2.1
349.10620	2.4
350.11581	3.1
351.08493	2.2
351.12335	4.0
355.11749	31.4
356.12411	2.8
357.13321	39.3
358.13736	2.4
359.11267	18.0
365.13895	6.2
366.10779	2.2
367.11667	6.1
369.13281	2.7
371.14798	1.9
375.12314	1.6
381.13419	10.0
382.13507	1.7
383.14755	1.5
389.14169	2.2
393.13300	4.5
399.14297	6.4
413.15894	6.7
421.16324	4.4
433.12793	1.6
449.15839	3.5
453.18921	3.4
453.91443	1.2
481.18652	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1962
Annotation	Schisantherin L
Peak:m/z	Relative Intensity
53.03944	2.4
55.05511	78.9
56.05851	1.0
57.07090	0.9
59.05004	1.0
67.05511	1.1
69.07064	1.1
70.51092	1.1
71.08624	0.5
73.06560	1.2
75.04478	2.1
79.05508	0.5
81.07063	0.7
83.04980	100.0
84.05301	1.4
87.08098	0.6
89.06039	2.8
95.08565	0.8
99.04449	1.0
101.06021	0.9
115.05431	0.6
119.08600	0.7
123.04526	0.7
123.08100	0.8
133.08589	0.8
133.10109	0.6
139.07492	0.6
145.10126	0.8
147.04308	0.7
157.10112	0.6
159.08015	0.9
171.08139	0.8
173.06026	0.7
175.03865	1.2
177.11147	0.6
183.08044	0.7
184.05127	0.6
185.05898	0.6
197.02338	2.4
197.06047	0.7
199.03815	1.3
199.07455	1.5
207.07993	0.5
210.06801	0.6
212.04684	1.4
213.05411	2.0
217.08516	1.6
219.65477	0.6
221.09547	1.4
225.08923	0.7
227.03397	1.3
227.07033	3.1
228.04112	1.6
229.04869	0.8
229.08452	0.8
230.05617	0.6
231.08020	0.6
233.09642	0.9
235.07584	0.7
235.11023	0.8
237.09138	0.6
239.06898	0.9
240.04036	0.6
240.07594	0.7
241.04910	0.7
241.08551	1.2
243.02837	0.7
243.06537	11.7
247.07359	1.0
248.08212	1.1
249.05339	0.7
249.09032	2.3
250.09819	0.6
251.06982	1.1
251.10533	0.7
252.07767	0.6
253.01353	2.8
254.02112	1.0
255.06413	1.2
259.07169	0.6
263.06876	2.4
263.10602	1.8
264.07678	0.9
265.04776	0.6
265.08450	1.9
266.05539	1.2
266.08981	0.6
267.02771	2.2
267.06262	1.0
268.03641	3.0
269.04404	0.7
271.05975	0.7
276.07690	0.7
277.08466	2.4
278.09122	1.0
279.06613	1.0
279.09998	3.2
280.07132	0.7
280.10669	0.7
281.00662	0.8
281.04733	0.9
281.07959	4.0
281.11386	1.0
282.05157	2.0
282.08484	0.6
283.05823	1.6
283.09720	0.6
285.07291	0.6
289.08374	1.8
290.09189	1.0
291.06702	1.1
291.10025	2.1
292.07068	1.4
292.10226	0.6
293.07959	2.3
293.11459	0.7
295.06134	1.0
295.09540	2.1
295.13208	1.8
296.03003	2.4
297.04111	1.0
297.07553	7.1
301.07092	1.2
305.07816	1.4
306.08875	3.6
307.09622	5.1
308.06937	0.7
308.10306	1.4
309.11060	0.8
311.02145	0.8
311.05515	10.6
311.09039	1.0
311.12674	1.8
312.05807	0.6
313.06900	1.0
317.07947	1.1
319.09442	1.1
321.07819	0.5
321.11160	8.6
322.11700	1.7
323.09009	1.7
323.12619	2.9
325.06927	1.2
325.10611	1.1
329.06396	0.9
334.08228	0.9
335.08969	1.2
337.10587	0.9
338.11267	1.8
339.12244	6.9
349.10504	2.7
350.11148	1.2
351.08258	0.7
351.12073	1.8
353.13840	28.1
354.13840	2.0
366.10654	0.6
367.11572	2.2
369.12994	2.1
371.15176	2.6
381.13312	27.4
382.13367	1.3
399.14386	9.4
417.15112	2.0
453.18771	1.3
464.28238	0.7
481.18124	0.8
499.19586	6.2
499.37067	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
54.45826	0.7
55.05513	83.5
56.05846	1.3
59.05014	1.1
67.05517	0.8
67.14981	0.8
75.04494	2.0
81.07051	1.2
83.04983	100.0
84.05329	1.1
91.05512	1.0
93.07056	0.9
95.08640	2.3
99.04472	1.4
105.07016	1.3
107.08603	1.1
111.04433	0.7
111.08067	1.0
119.08598	1.4
121.10191	0.9
121.56961	0.7
131.08598	0.9
133.10155	1.1
143.08595	1.0
157.10107	1.8
159.08168	0.9
159.11734	1.2
165.06906	0.9
169.10112	1.5
172.37526	0.8
175.03871	1.4
187.07603	1.0
189.05556	1.1
193.09982	0.8
197.02414	2.6
197.13313	0.9
199.03828	1.1
201.05458	1.0
209.13200	1.5
211.07603	1.0
212.04697	1.0
213.05421	1.9
217.08554	1.0
221.09665	1.3
227.06973	4.2
233.09642	0.9
240.04190	1.0
241.04832	1.3
243.06554	10.8
249.09134	2.2
251.07025	2.2
252.08101	1.0
253.01357	3.9
253.05345	0.9
254.01881	1.0
263.07129	3.0
264.07809	1.5
265.08484	1.6
267.02768	0.9
267.06766	1.0
267.10300	0.9
268.03616	2.7
269.04184	1.0
271.06046	1.0
276.07837	1.3
277.08725	2.2
278.09283	1.3
279.10175	3.8
280.10855	1.1
281.00906	1.6
281.04559	0.9
281.08060	2.7
281.11365	1.1
282.05200	1.6
283.06082	1.7
289.08545	1.3
290.09241	1.7
291.06833	2.0
291.10178	2.0
292.07315	1.0
293.08020	2.2
294.08905	1.2
295.06076	1.6
295.09579	1.7
296.03134	2.7
297.07523	6.5
305.08289	1.1
306.08835	3.1
307.09558	4.6
308.10452	1.6
309.07483	1.3
309.11084	1.3
311.05472	12.4
311.12704	1.5
312.05981	1.6
321.11160	9.8
322.11771	1.9
323.09036	2.4
323.12790	2.1
325.06967	1.5
329.06516	1.0
334.08258	1.9
338.11478	1.4
339.12244	7.2
349.10751	3.4
350.11292	1.1
351.12228	1.9
353.13828	24.2
354.14185	1.2
355.15515	1.0
367.11758	3.5
368.12250	1.0
369.13358	1.8
371.14624	2.8
381.08661	1.7
381.13342	23.7
382.13565	1.7
399.14343	8.2
404.26660	1.1
417.15402	1.6
420.30099	0.9
421.27310	1.4
422.27802	1.8
437.30533	1.3
438.30893	3.3
446.27716	1.4
453.19186	1.3
463.28238	2.3
464.28619	4.7
481.18423	1.0
482.29825	1.8
499.18585	3.9
499.25592	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	3.3
53.03943	8.8
55.05515	100.0
67.05495	14.9
69.03442	7.2
69.07057	8.6
69.29351	16.1
71.04967	3.9
79.05496	13.1
81.03419	13.4
81.07050	22.0
83.04983	97.5
91.05479	27.2
93.07037	27.0
95.04980	12.4
95.08614	31.1
97.20750	3.6
99.62587	3.1
105.07041	33.4
107.04991	5.1
107.08588	16.7
109.02936	3.9
109.06528	16.3
109.10139	10.5
111.04453	7.0
111.08089	12.1
117.07030	11.5
119.08596	32.0
121.06522	12.9
121.10120	9.2
123.08081	12.3
123.11710	4.0
123.28517	3.4
128.06152	4.8
129.07034	9.6
131.08563	17.4
131.23822	3.7
133.10123	24.0
135.08069	14.0
137.05991	13.4
139.07558	7.5
141.06923	7.3
141.19554	3.3
142.07764	11.2
143.08556	21.8
145.10092	18.4
147.08067	11.4
147.11714	9.2
149.05960	4.6
155.07216	5.7
155.08585	11.8
156.09421	4.1
157.10123	24.7
158.10585	3.5
159.08060	8.5
159.11690	13.8
161.09630	10.2
161.13297	6.4
169.10144	11.7
170.10747	4.8
171.08055	6.7
171.11696	15.6
173.09669	27.8
173.13246	6.9
175.11142	7.9
177.09135	5.1
180.91023	3.7
181.10110	8.4
182.10841	4.2
183.08011	6.9
183.11703	11.6
185.09561	7.0
185.13240	8.1
187.11208	8.9
189.09192	3.5
189.12837	4.5
191.10648	5.5
193.10165	9.2
194.10832	4.3
195.11726	12.1
196.12296	4.9
197.09642	4.9
197.13278	8.3
199.11223	6.1
199.14786	7.7
201.09070	12.0
201.12704	4.3
205.12242	5.4
206.10875	3.7
207.11664	12.9
208.12376	5.1
209.09680	4.4
209.13341	7.9
211.11148	8.8
211.14816	9.1
213.12729	5.4
219.10010	6.8
219.11940	4.2
221.13268	10.1
223.11295	5.0
223.14767	7.1
225.09204	5.3
225.12764	8.6
227.14377	6.4
233.15352	7.5
235.11217	5.8
235.14789	7.0
236.15266	3.8
238.13885	4.2
239.10753	7.1
239.14381	5.9
241.08609	7.6
245.13293	4.7
245.15372	8.6
247.14758	6.1
249.09116	7.1
249.12587	5.9
251.14264	6.1
253.15723	4.5
257.68082	3.8
259.14951	4.6
263.14304	4.2
265.12274	7.2
265.15894	8.1
267.10104	6.3
267.17569	3.9
269.08279	4.4
277.08698	5.6
281.08148	24.4
281.11304	4.4
282.08432	4.2
284.10379	6.5
293.19290	4.1
296.10443	27.5
305.15482	5.6
307.17023	6.2
310.12048	7.8
313.10693	26.2
321.11255	13.5
326.22278	5.0
327.12253	18.9
328.12888	30.5
329.10095	5.2
335.12973	4.8
336.13632	21.0
337.10614	5.7
338.11533	4.2
343.22473	4.8
344.12451	4.5
352.12976	8.6
353.13669	11.6
359.14923	62.4
360.15497	8.6
367.15424	22.6
368.16064	19.0
373.16257	8.8
399.18015	36.2
399.23053	9.4
417.19257	3.8
417.24039	22.9
421.27155	6.9
427.22363	18.0
439.27802	10.5
445.23474	51.9
463.24118	36.1
464.28885	5.1
476.06955	4.6
481.29834	27.9
499.22772	6.1
499.31152	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2328
Annotation	11alpha-Hydroxygedunin
Peak:m/z	Relative Intensity
53.03944	0.8
54.08451	0.7
55.01865	2.9
55.05509	2.7
55.68944	0.7
59.04985	0.8
67.05503	6.1
69.03429	100.0
69.06894	6.6
70.03755	2.3
71.01345	0.7
71.05019	0.9
79.05507	6.7
81.03462	0.7
81.07053	8.2
83.04975	2.0
85.06538	1.0
87.00800	0.7
87.04464	3.2
91.05477	9.8
93.07040	10.2
95.04981	5.2
95.08604	16.1
97.02888	0.8
97.06543	4.4
99.04482	1.4
103.05476	1.4
105.03389	1.3
105.07029	10.2
107.04959	3.8
107.08594	5.2
109.06511	10.4
109.10194	1.1
111.08079	6.5
113.05989	1.6
115.03944	3.1
115.05444	1.8
117.07018	4.9
119.04955	1.4
119.08572	7.3
121.06522	6.4
121.10133	5.9
123.04443	2.4
123.08075	12.9
125.06006	1.3
128.06224	2.9
129.06999	6.1
130.07776	1.0
131.04930	1.2
131.08569	7.9
133.06522	3.1
133.10124	4.6
135.08040	4.2
137.05963	4.7
137.09639	1.6
139.07538	82.0
140.07892	3.0
141.05458	1.0
141.06973	4.4
141.09056	1.3
142.07793	3.2
143.08565	6.9
145.06493	6.2
145.10136	6.2
147.08028	6.5
147.11699	0.9
148.08191	0.8
149.05981	2.7
149.09634	4.2
151.07541	3.8
151.08640	0.6
152.06206	1.0
153.05588	1.3
153.07045	2.7
155.08542	8.2
156.09328	2.1
157.06490	2.8
157.10135	3.7
159.08069	7.0
159.11711	1.7
161.06001	2.0
161.09630	4.7
162.09995	0.9
162.42618	0.7
163.07555	3.2
163.11174	1.0
165.05846	0.7
165.06970	3.9
165.09079	5.1
166.07870	1.8
167.07065	2.4
167.08591	4.6
167.10703	1.0
168.09190	1.1
169.06483	1.1
169.10115	8.4
171.08054	10.6
171.11702	3.2
172.08891	0.9
173.06030	1.0
173.09628	7.0
175.07530	3.9
175.11212	3.1
177.09119	6.0
178.07793	2.2
179.08542	6.6
179.10701	1.0
180.09361	2.8
181.06503	1.1
181.08632	1.3
181.10091	7.4
182.07346	1.0
183.08018	4.8
183.11720	4.4
184.08757	1.7
185.06004	1.3
185.09628	5.4
185.13234	1.0
187.07552	1.8
187.11180	4.4
189.09120	3.5
190.09476	0.8
191.07048	0.9
191.08556	3.2
191.10548	0.9
192.09357	3.1
193.08571	5.0
193.10176	8.2
194.07245	2.1
194.10948	2.0
195.06538	1.2
195.08025	5.3
195.11705	5.9
196.08778	2.3
197.09648	7.2
197.13315	2.5
198.10175	0.9
199.07591	2.6
199.11174	4.8
201.09068	3.7
201.12794	2.3
202.07803	1.2
202.09587	0.9
203.08684	1.3
203.10643	2.1
204.09344	2.6
205.10161	4.8
205.12180	1.6
206.10883	3.0
207.08080	2.1
207.10095	1.8
207.11751	4.7
208.08800	2.6
208.10582	1.5
208.12473	1.1
209.09567	7.6
209.13293	1.9
210.10347	2.4
211.07581	1.3
211.11276	4.6
213.09167	4.0
213.12781	2.4
215.08618	1.8
215.10699	3.1
216.09375	1.9
217.10330	3.8
217.12022	1.3
218.10919	1.7
219.08099	2.2
219.11755	5.8
220.08855	1.6
220.12488	2.1
221.09685	5.5
221.13338	4.9
222.10413	2.6
223.11188	5.6
224.11949	1.5
225.09090	2.0
225.12744	3.4
226.13237	0.8
227.10666	3.9
227.14246	1.4
228.09320	1.4
229.10149	3.0
229.12164	1.9
230.10858	3.5
231.11888	4.8
232.08778	1.2
232.12537	1.5
233.09799	3.7
233.13275	2.8
234.10391	2.5
235.07620	0.9
235.11227	7.3
235.14734	3.6
236.11813	1.7
237.09085	2.7
237.12733	8.2
238.13316	1.0
239.10623	3.4
239.14357	3.3
241.12294	2.1
243.11778	1.7
243.13849	1.7
244.12488	1.5
245.09521	1.6
245.13466	6.0
246.10406	1.7
246.14059	1.3
247.11201	7.6
247.14908	2.0
248.11931	2.6
249.09015	1.2
249.13107	4.5
251.10632	3.0
251.14705	0.9
253.12288	4.1
253.15898	2.0
255.13924	2.2
256.12509	1.1
257.13412	1.2
258.10263	1.1
259.11191	2.9
259.14844	3.2
260.11813	1.4
261.12717	2.9
261.16373	1.7
262.09827	0.8
262.13470	1.5
263.10730	3.5
263.14340	11.4
264.11517	1.1
264.14941	1.2
265.12256	8.0
265.15820	3.5
266.13037	1.1
267.09961	1.2
267.13855	2.5
269.11349	1.5
271.13440	3.1
273.12817	7.9
274.13422	1.6
275.11234	1.0
275.14429	2.3
276.11429	1.1
277.12390	1.5
277.15781	1.6
279.13776	2.9
279.17416	2.0
281.11752	2.3
281.15369	6.7
283.13138	5.7
285.15149	0.9
286.13287	0.8
287.14270	4.1
287.17776	1.1
288.15216	0.9
289.12256	1.2
289.15823	3.8
291.13806	13.5
292.14294	2.1
293.11853	1.2
295.13574	1.0
297.12146	0.8
299.12640	3.6
301.15771	2.1
301.19540	0.8
303.13889	1.4
303.17319	1.6
305.15448	3.5
305.18753	1.4
307.13318	2.4
307.16968	5.8
308.14029	1.0
309.11493	0.8
309.14844	14.6
313.15790	0.8
315.13788	2.5
315.17413	1.9
317.15308	1.8
319.16852	1.3
321.11087	1.0
321.14911	1.3
323.12939	1.0
323.16498	2.7
325.14276	3.1
325.18057	3.6
327.15906	2.5
329.15228	1.3
329.18976	2.1
331.13162	0.9
331.16879	1.9
331.20425	1.4
333.14816	6.6
333.18277	1.4
334.15262	1.2
339.17316	2.0
341.17783	0.8
343.16486	1.2
347.16370	1.2
347.20099	3.3
349.17929	2.5
351.15842	9.3
351.19479	1.3
357.18533	6.8
359.15903	1.4
359.20123	1.7
361.17871	1.1
365.21240	1.6
367.18954	1.5
369.16928	12.1
371.20013	1.1
373.21661	1.7
375.19522	11.1
376.19998	0.9
377.17355	2.9
377.21240	1.8
379.19150	1.3
381.18576	0.9
385.17816	6.0
387.18018	3.0
391.22873	1.4
393.20642	11.1
394.21194	0.9
399.19516	2.9
401.21371	1.4
403.19101	19.0
404.19312	2.1
405.16818	1.3
411.21585	2.4
417.20587	5.8
418.20984	1.1
419.22354	3.8
421.20074	58.6
422.20413	6.8
423.18011	1.2
423.23776	0.9
427.19177	2.6
435.21729	7.9
437.23489	6.7
439.21115	56.3
440.21454	5.6
445.20087	7.6
446.20422	1.4
453.22751	5.1
455.24219	3.1
463.21115	17.9
464.21524	2.0
481.22183	31.6
482.22464	3.3
499.23224	62.1
500.23590	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.0
55.01872	1.9
55.05507	1.9
57.03440	1.0
65.03925	1.1
67.01845	0.5
67.05504	4.1
68.99809	0.5
69.03081	0.5
69.03424	10.5
69.07068	1.4
69.73822	0.5
71.04989	0.9
71.30302	0.6
79.05495	19.7
81.03401	0.8
81.07056	89.7
82.07398	1.5
83.04981	1.7
83.08617	0.7
85.06518	0.5
91.05470	9.0
93.07039	6.7
95.04964	6.0
95.08603	5.0
96.61510	0.5
97.02885	1.9
97.06537	1.1
103.05457	0.9
105.04523	0.6
105.07030	11.8
107.04959	2.1
107.08595	5.4
109.02871	1.9
109.06519	27.5
109.10150	1.0
110.10386	0.5
111.04440	1.2
111.08056	1.2
115.05447	1.9
117.07029	5.1
119.04937	1.7
119.08582	6.9
121.06509	5.5
121.10149	1.9
123.04423	1.4
123.08073	8.7
123.11716	0.7
125.09602	0.8
128.06218	4.2
129.07011	4.8
130.07806	0.9
131.08572	8.0
133.06491	3.9
133.10132	3.9
135.04369	1.5
135.08049	7.5
135.11681	0.8
137.02409	4.0
137.05974	100.0
138.06303	3.2
139.07501	1.0
141.06995	2.7
142.07822	4.4
143.08551	10.2
144.09323	0.6
145.06464	3.1
145.10117	6.1
146.07251	1.5
147.04416	0.5
147.08055	5.4
147.11673	2.3
148.05063	0.6
149.05960	1.2
149.09602	2.5
151.07530	2.0
153.05530	0.7
153.06973	1.6
154.07716	1.1
155.08551	6.3
156.09283	1.7
157.06483	1.2
157.10129	7.5
158.07277	0.6
159.08099	4.1
159.11667	2.8
160.08813	1.9
161.05943	0.9
161.09624	11.4
163.07547	3.9
163.11208	1.1
165.05492	1.9
165.07004	2.0
165.09131	0.8
166.07762	1.2
167.07132	1.1
167.08549	3.0
168.09315	1.8
169.06468	0.7
169.10120	6.4
170.10803	0.8
171.08005	3.1
171.11719	3.9
172.08784	0.7
173.06081	0.9
173.09610	7.2
173.13275	1.0
174.06853	0.6
174.10425	1.0
175.07535	2.2
175.11200	11.4
177.09082	1.2
177.12735	0.7
178.07793	1.0
179.07031	3.9
179.08554	2.8
180.09326	1.5
181.06580	0.6
181.08556	2.8
181.10103	4.4
182.10854	1.5
183.08139	0.9
183.11678	5.7
184.08728	1.0
185.09604	5.2
185.13245	1.9
186.10390	1.0
187.07518	1.4
187.11168	4.9
188.08282	2.3
189.09119	12.5
189.12701	1.2
191.07005	0.6
191.08539	0.8
191.10692	1.2
192.09344	2.0
193.08580	1.3
193.10109	2.9
194.10930	1.4
195.08099	1.2
195.11676	4.9
196.08771	1.0
196.12399	0.9
197.09593	2.6
197.13319	3.6
198.10201	1.0
199.07600	1.1
199.11189	2.9
199.14786	0.7
200.11752	0.6
201.09077	2.3
201.12733	2.6
203.10641	6.1
205.10173	1.1
205.12016	1.0
206.10838	1.3
207.11705	2.8
209.09637	1.5
209.13271	3.7
211.11211	5.2
211.14725	1.1
212.08475	0.6
212.11919	0.7
213.09186	2.4
213.12726	10.7
214.13249	0.8
215.10677	1.9
215.14333	2.4
216.07834	3.6
217.08534	2.5
217.12038	0.8
218.09276	0.6
219.10094	2.8
219.11842	0.6
219.13733	0.5
220.12361	0.7
221.09627	1.1
221.13223	1.9
222.10388	0.6
223.11166	2.2
223.14795	1.0
224.11725	0.8
225.09209	1.1
225.12755	13.4
225.16275	0.8
226.13339	1.4
227.10712	1.8
227.14265	4.6
229.08514	1.5
229.12123	1.0
231.10152	26.4
232.10524	1.3
233.11462	1.0
235.11081	1.7
235.14888	0.9
237.12704	2.8
239.14311	2.3
240.14775	0.6
241.12215	1.0
241.15753	2.0
243.10123	2.1
243.13777	6.6
247.11246	0.5
247.14568	0.7
251.14409	1.3
253.12262	2.3
253.15875	0.9
255.13756	3.9
256.14517	0.6
257.15399	1.7
259.13058	1.2
265.12192	1.3
265.16013	0.7
267.13797	1.7
268.14578	0.9
269.15335	1.6
271.13263	4.6
271.17090	0.7
279.13885	0.6
281.15295	0.7
283.13315	1.0
285.14688	1.2
287.16354	0.8
289.14301	2.0
295.17087	0.7
297.14981	0.5
299.16251	0.7
313.14267	0.8
315.16367	0.8
341.17227	0.6
351.19391	0.5
360.57001	0.5
375.19498	1.6
377.21216	0.6
387.19424	1.4
389.20438	1.7
391.18909	0.7
393.20612	14.1
394.20834	0.8
395.22128	2.1
405.20609	18.6
406.20715	1.9
407.22067	1.8
417.20389	1.8
423.21741	2.9
433.20163	6.7
435.21613	3.9
438.93375	0.5
445.20178	1.0
451.21158	2.4
453.22528	2.2
455.90692	0.6
463.21149	3.2
463.27054	0.7
469.22241	0.9
481.22260	6.3
481.28784	1.2
499.23233	14.4
499.29834	0.7
500.23361	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06683	1.3
52.94326	1.5
53.03963	2.3
55.05502	5.5
58.82994	1.4
62.17507	1.4
65.03956	2.5
67.05503	9.5
68.99784	2.5
69.03426	73.6
69.07056	2.8
70.03773	1.9
71.04994	4.1
71.24021	2.6
79.05489	19.1
81.03422	1.8
81.07053	95.0
81.23289	1.6
82.07397	2.2
83.04974	7.5
87.04466	4.9
91.05476	18.6
93.07029	14.7
93.07431	1.2
95.04964	9.1
95.08612	16.6
97.02878	1.7
97.06526	3.4
98.97570	6.4
99.04425	2.4
103.05441	2.4
104.72727	1.4
105.07034	18.8
107.04957	3.8
107.08578	8.8
107.53505	1.4
109.06519	31.1
109.10142	3.4
111.04433	1.3
111.08073	5.8
115.03913	3.5
115.05470	4.6
116.98624	2.2
117.07008	8.9
119.04919	3.7
119.08585	10.4
121.06493	8.4
121.10142	4.2
123.04432	6.0
123.08073	13.6
125.05959	2.2
128.06233	6.3
129.07008	11.4
131.04901	4.2
131.08571	11.3
133.06465	5.1
133.10112	5.7
135.08076	5.9
137.02350	7.4
137.05966	100.0
137.09633	1.6
138.06297	3.7
139.03871	3.5
139.07538	48.5
141.07016	6.0
141.09088	1.6
142.07764	5.2
143.08569	17.9
145.06502	8.4
145.10144	11.2
146.07246	2.5
147.08028	9.7
147.11679	2.3
149.05992	2.5
149.09622	5.1
151.07527	6.8
153.06961	4.2
154.07736	2.4
155.07262	2.7
155.08533	14.4
156.09314	2.0
157.06483	3.6
157.10139	9.3
158.07271	1.9
158.99724	1.7
159.08017	11.2
159.11688	3.9
161.05960	3.6
161.09595	11.2
163.07504	4.1
165.07045	6.1
165.09099	3.7
166.07901	2.1
167.07117	2.4
167.08571	7.7
168.09311	1.9
169.06479	1.7
169.10114	11.5
171.08087	11.3
171.11684	6.8
172.08784	2.0
173.05991	2.1
173.09633	22.6
174.10164	2.3
175.07552	4.6
175.11147	7.5
177.00702	3.7
177.09137	6.5
178.07719	2.6
179.07045	3.0
179.08548	5.3
180.09299	4.2
181.06403	2.2
181.10124	5.5
182.10838	2.0
183.08017	3.9
183.11668	4.3
185.09540	9.2
185.13437	2.0
186.10228	2.1
187.07581	2.1
187.11148	5.8
189.09138	4.8
189.12852	2.5
191.08644	2.3
192.09286	4.7
193.08572	2.9
193.10144	7.9
194.10896	3.0
195.08044	5.8
195.11697	6.0
196.08846	3.4
197.09613	7.2
197.13289	4.4
199.07632	2.7
199.11174	5.5
199.14787	1.8
201.09076	2.4
201.12730	4.8
203.08664	2.0
203.10674	4.6
205.10201	4.6
205.12193	1.5
206.10867	4.6
207.11719	4.8
208.08719	1.9
209.09596	6.4
209.13171	3.4
211.11156	5.6
211.14972	1.5
213.09106	3.4
213.12772	4.3
215.10710	3.0
216.09271	2.3
217.08412	3.2
217.10257	3.5
217.12202	3.4
219.11676	5.1
220.12448	2.0
221.09740	3.4
221.13287	4.2
223.11125	4.8
223.14752	2.0
225.09155	2.6
225.12759	4.7
227.10674	2.3
227.14366	2.6
229.10184	2.4
229.12305	3.4
230.10930	3.6
231.11807	3.3
233.09657	2.3
233.13303	3.0
235.11130	5.6
235.14854	3.8
236.11609	1.6
237.09244	1.7
237.12685	4.3
239.10687	1.8
239.14325	4.0
241.12251	3.4
243.11649	2.2
245.13275	4.3
247.11188	5.2
249.12733	3.3
251.10713	3.2
251.14290	4.4
253.12213	4.9
253.15936	1.8
255.13998	2.3
259.11188	3.4
259.14920	2.0
261.12695	4.0
261.16281	2.4
263.10709	2.0
263.14240	6.1
265.12213	6.3
265.15842	3.5
267.13751	4.9
269.11505	1.9
273.12814	3.2
275.14459	1.5
276.14984	1.9
277.15970	1.8
279.17477	2.2
281.15463	3.5
283.13315	3.3
289.15860	3.5
291.13712	6.9
305.15317	2.5
307.16861	5.7
309.14865	9.2
317.15204	1.8
325.17871	3.8
333.14917	2.9
343.16345	2.3
347.19968	3.3
349.18118	2.7
351.15814	3.7
357.18301	5.3
365.10269	2.5
367.18805	4.2
369.16998	13.9
375.19550	7.6
385.17813	4.2
393.20438	7.1
403.19064	12.7
405.20691	4.0
410.04379	1.6
413.19690	1.8
417.20486	4.7
419.22253	2.4
421.20026	30.5
422.20053	2.8
427.18582	1.9
433.20206	3.9
435.21625	6.4
437.23190	3.3
439.21133	23.7
440.21368	3.1
445.20313	7.1
451.21265	8.1
453.22699	6.0
463.21017	11.5
469.22223	3.7
481.22220	22.8
499.23236	43.2
500.23456	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2338
Annotation	Heteroclitin B
Peak:m/z	Relative Intensity
51.52074	0.3
52.59261	0.3
52.98995	0.2
53.03946	2.1
55.05511	70.9
56.05853	1.2
69.03433	0.4
70.69851	0.3
71.31585	0.5
79.05460	0.6
81.07066	1.2
83.04980	100.0
84.05319	1.4
91.05474	0.5
93.07037	0.9
95.08614	0.8
96.08954	0.3
105.07027	0.7
107.08582	0.7
108.08923	0.3
109.06538	0.4
111.08091	0.3
119.08564	0.8
120.08978	0.4
121.06518	0.3
131.08543	0.4
133.10144	0.4
137.05988	0.6
143.08540	0.6
145.10098	0.6
153.36069	0.2
155.08517	0.4
157.10187	0.4
157.25740	0.3
159.08101	0.3
159.11717	0.4
161.09663	0.3
169.10165	0.3
180.09274	0.4
181.10130	0.3
183.08173	0.3
185.13322	0.3
190.36072	0.3
191.51677	0.3
193.10181	0.3
201.59131	0.3
206.10669	0.3
209.13145	0.4
209.65593	0.3
234.13646	0.3
249.09207	0.3
262.09882	0.4
277.08594	0.5
277.12143	0.6
278.09290	0.4
292.10815	0.4
293.11606	0.6
296.10449	0.4
305.11584	0.6
306.12183	0.3
307.09528	0.4
307.13403	0.5
321.11179	1.2
323.19458	0.3
324.20493	0.3
331.11780	0.3
335.12860	0.6
336.13290	0.9
337.10568	0.7
337.14178	0.4
342.93103	0.4
353.13748	1.0
359.15009	0.6
367.15256	0.9
368.15979	1.2
399.17996	6.1
400.18344	0.5
417.18744	1.2
421.18915	0.5
435.18188	0.3
439.20267	1.3
445.26254	0.5
463.27652	1.6
464.28915	0.4
481.21329	0.5
481.28336	0.7
499.22702	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.05511	78.5
56.05841	6.8
67.05511	1.5
69.18700	4.1
69.19128	2.1
78.50805	0.9
81.07062	1.8
83.04982	100.0
84.05311	8.3
84.34121	0.8
91.05493	1.5
93.07051	1.9
95.08613	1.8
105.07018	1.8
105.44451	0.8
109.06527	0.8
114.40543	0.8
119.08572	1.5
125.02396	0.9
131.08585	1.8
135.08060	1.9
136.80270	0.9
143.08537	1.4
145.06549	1.0
145.10164	1.5
147.11656	1.1
157.10117	1.0
164.19562	0.8
171.08080	0.9
171.11685	0.9
173.13203	1.2
183.08070	0.9
183.11739	1.5
190.92036	0.7
195.11726	0.9
227.06892	1.2
253.08412	1.1
254.09512	0.9
255.06418	1.5
269.08252	0.9
270.08838	1.3
281.07922	1.2
283.05972	1.2
283.09366	1.0
285.07541	1.2
285.11240	2.5
297.07401	0.8
298.08029	1.7
299.08923	7.6
313.10751	2.1
314.11258	4.3
315.08640	6.8
315.11868	1.4
321.11072	0.9
323.20029	0.9
330.10867	4.7
332.12622	1.0
345.09131	1.7
345.13318	30.9
346.13739	3.5
353.13861	2.8
367.15332	1.9
368.16129	3.1
369.12888	0.8
370.13904	1.5
396.15784	2.7
399.13467	1.5
399.18024	11.6
400.18555	0.9
414.16647	1.2
415.17542	1.6
427.17691	4.5
499.23425	1.1
499.30203	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.05511	78.5
56.05841	6.8
67.05511	1.5
69.18700	4.1
69.19128	2.1
78.50805	0.9
81.07062	1.8
83.04982	100.0
84.05311	8.3
84.34121	0.8
91.05493	1.5
93.07051	1.9
95.08613	1.8
105.07018	1.8
105.44451	0.8
109.06527	0.8
114.40543	0.8
119.08572	1.5
125.02396	0.9
131.08585	1.8
135.08060	1.9
136.80270	0.9
143.08537	1.4
145.06549	1.0
145.10164	1.5
147.11656	1.1
157.10117	1.0
164.19562	0.8
171.08080	0.9
171.11685	0.9
173.13203	1.2
183.08070	0.9
183.11739	1.5
190.92036	0.7
195.11726	0.9
227.06892	1.2
253.08412	1.1
254.09512	0.9
255.06418	1.5
269.08252	0.9
270.08838	1.3
281.07922	1.2
283.05972	1.2
283.09366	1.0
285.07541	1.2
285.11240	2.5
297.07401	0.8
298.08029	1.7
299.08923	7.6
313.10751	2.1
314.11258	4.3
315.08640	6.8
315.11868	1.4
321.11072	0.9
323.20029	0.9
330.10867	4.7
332.12622	1.0
345.09131	1.7
345.13318	30.9
346.13739	3.5
353.13861	2.8
367.15332	1.9
368.16129	3.1
369.12888	0.8
370.13904	1.5
396.15784	2.7
399.13467	1.5
399.18024	11.6
400.18555	0.9
414.16647	1.2
415.17542	1.6
427.17691	4.5
499.23425	1.1
499.30203	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2325
Annotation	11alpha-Hydroxygedunin
Peak:m/z	Relative Intensity
55.01745	1.4
55.05372	2.3
55.05676	1.7
57.03306	0.5
67.05370	1.4
69.03275	22.7
69.03697	8.5
69.03943	0.9
69.06200	4.2
69.06947	1.1
71.04862	1.3
71.05231	1.1
79.05324	2.6
81.03272	0.8
81.06886	3.6
81.07397	0.9
83.04832	1.6
83.08507	0.8
87.04362	0.6
88.76035	0.5
91.05299	6.3
91.05923	1.2
93.06859	7.2
93.07511	1.5
95.04787	8.2
95.05457	1.5
95.08414	2.5
97.06403	1.1
103.05342	0.9
104.52762	0.5
105.06841	7.8
105.07600	1.0
107.04758	2.0
107.08404	4.7
109.06332	17.5
109.07156	2.4
111.07886	23.1
111.08732	3.1
115.05285	1.1
117.06813	3.1
119.04797	1.1
119.08381	4.3
121.06303	5.8
121.07235	1.3
121.09965	1.8
121.10775	0.5
123.04295	0.7
123.07863	3.5
128.06114	1.0
129.06812	2.5
131.04794	0.6
131.08354	4.5
133.06287	3.8
133.09923	2.7
135.04257	0.7
135.07826	2.7
137.05775	2.5
139.07326	5.0
141.06781	2.1
142.07594	1.5
143.08340	4.1
145.06453	2.8
145.10098	3.9
146.07108	0.9
147.07832	5.3
147.11462	2.4
149.05815	1.1
149.09415	1.8
153.05264	6.2
153.06779	1.7
154.07549	0.8
155.06982	0.8
155.08347	4.6
156.09158	1.1
157.06328	1.2
157.10107	3.5
158.07133	0.7
159.08052	8.6
159.09241	0.7
159.11491	2.4
161.05983	10.3
161.09612	3.7
161.13017	0.6
163.07408	1.3
163.10883	0.7
165.06818	1.7
165.08934	0.7
166.07657	1.2
167.06993	1.2
167.08376	2.8
168.09157	1.0
169.06268	0.8
169.10117	3.9
171.08044	2.7
171.11443	2.0
173.09581	5.3
173.13203	0.7
175.07336	1.6
175.11003	1.6
177.08955	0.8
178.07631	0.9
179.08342	2.3
180.09167	0.7
181.06294	0.6
181.10072	3.9
182.10716	1.5
183.07971	2.9
183.11716	3.0
184.08524	0.7
185.09581	3.3
185.13046	0.9
187.07359	1.2
187.10976	2.0
189.08940	2.2
189.12607	0.8
191.08336	0.8
192.09143	1.5
193.09944	2.4
194.10768	0.9
195.07883	1.7
195.11684	3.4
196.08649	1.6
197.09637	3.5
197.12999	1.7
198.10040	0.6
199.07423	0.6
199.11230	2.8
201.08916	1.4
201.12468	1.6
203.08485	1.1
203.10387	0.6
204.09245	1.0
205.09999	1.4
206.10725	0.9
207.07964	1.2
207.11707	3.9
208.08681	1.0
208.12056	0.7
209.09383	3.4
209.13268	3.4
210.10173	2.5
211.07553	0.7
211.11182	4.0
211.14581	0.7
213.08907	2.3
213.12563	2.0
215.10408	1.4
217.10004	1.4
217.11894	0.6
218.10811	0.8
219.11508	2.0
220.08679	1.1
220.12274	0.6
221.09470	1.4
221.13049	1.7
222.10379	1.1
223.11124	3.8
224.11745	1.2
225.08836	1.7
225.12733	6.0
226.13287	0.8
227.10506	1.6
227.14153	1.1
229.08354	1.1
229.12042	1.2
230.10617	0.7
231.11562	1.4
232.12364	1.1
233.09567	1.0
233.13078	2.5
234.10220	1.2
235.11172	3.8
235.14601	1.6
236.11687	1.5
237.08972	1.4
237.12810	4.7
237.16165	0.6
239.10512	1.8
239.14128	1.9
241.12086	1.4
241.15514	0.7
243.11601	1.1
245.13185	1.3
246.10191	0.6
246.13707	0.6
246.40341	0.6
247.10999	2.4
247.14757	0.9
249.12564	2.0
249.16290	1.1
251.10463	2.3
251.14259	3.1
252.11356	0.9
253.12219	13.7
253.15880	0.9
254.12791	1.2
255.13602	1.6
259.10959	0.8
259.14731	1.0
261.12622	2.3
262.13538	0.6
263.10623	0.8
263.13980	2.2
265.12311	3.7
265.15701	1.9
266.12872	0.7
267.10144	1.4
267.13571	1.4
269.15372	0.7
272.88766	0.6
273.12680	1.2
273.15860	0.6
274.13306	0.6
275.12546	1.6
276.14679	0.7
277.12100	1.5
277.15723	2.5
279.10156	1.0
279.13574	2.2
279.16769	0.8
281.11499	1.0
281.15298	1.0
283.13229	1.0
287.14127	1.6
287.17502	0.6
289.15668	1.1
291.13492	0.7
291.17358	0.7
293.11780	0.9
293.15195	1.7
295.16989	0.8
297.14722	1.0
302.16403	0.6
303.13766	1.2
303.17163	1.2
304.14273	1.0
305.15189	1.4
307.13522	0.6
307.16788	1.8
312.14798	0.6
313.14389	1.0
315.17059	0.9
317.15674	1.1
317.18906	1.8
319.16678	0.7
321.14700	1.0
323.16257	1.0
329.15283	0.7
329.18909	0.7
331.09988	3.6
331.16681	1.1
333.14804	1.0
335.16272	1.2
335.20071	1.1
337.17911	1.0
345.18576	3.9
346.18665	0.8
347.20016	1.2
349.14050	0.9
349.17926	1.8
357.18661	1.2
361.17737	0.9
363.19510	3.8
365.21198	0.6
373.17966	3.5
375.19485	2.2
377.21005	1.5
379.19006	1.0
381.20486	2.5
385.18222	0.6
389.21069	1.1
391.19009	73.3
392.19382	6.8
393.20609	1.5
403.19037	10.4
404.19269	1.1
405.20825	3.3
407.22537	0.6
409.20062	100.0
410.20435	8.4
417.20520	2.3
419.22177	1.8
421.20081	41.0
422.20422	3.3
423.21710	1.3
433.19974	1.2
435.21588	2.1
437.23169	7.2
438.23514	1.0
439.21146	37.7
440.21533	3.0
445.19928	2.1
451.21170	11.6
452.21048	0.9
453.22739	1.2
463.21066	10.5
464.21661	1.3
469.22296	7.4
470.22485	1.0
481.22198	44.6
482.22604	4.6
499.23032	27.2
499.30765	1.5
500.23358	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.05513	70.9
56.05843	1.6
57.03436	0.8
57.07072	1.1
61.02902	0.7
65.03937	0.9
67.05503	6.2
69.03427	1.1
69.07056	2.9
69.54488	2.0
69.54886	1.1
71.05004	1.1
79.05499	5.0
81.03406	0.8
81.07055	7.3
83.04981	100.0
83.08611	1.2
84.05313	1.3
85.02889	0.8
85.06545	2.9
85.44049	0.7
87.04432	0.6
90.99593	0.6
91.05489	6.0
93.07040	8.5
94.07367	0.9
95.04982	2.1
95.08607	14.2
96.08940	0.9
97.02901	1.0
97.06535	1.5
97.10168	0.7
99.04495	1.1
105.07016	7.0
106.07356	1.1
107.08595	8.4
108.08996	0.7
109.06528	2.6
109.10161	4.5
111.04421	2.1
111.08070	3.0
113.06025	1.9
117.07021	1.7
119.08585	7.7
120.08955	0.8
121.06532	1.9
121.10143	4.8
121.70410	0.6
123.08054	3.7
123.11697	1.5
125.09660	1.2
128.06181	1.3
129.06990	2.3
130.07799	0.8
131.08546	4.8
133.06541	1.1
133.10141	6.1
134.10468	0.9
135.08047	3.1
135.11716	1.8
137.06020	1.3
137.09627	1.1
139.07561	1.6
141.07054	1.4
141.09125	1.0
142.07777	2.2
143.08580	5.1
145.06445	0.8
145.10126	6.4
146.10616	0.6
147.04431	2.9
147.08066	2.3
147.11719	2.1
149.09674	1.4
153.07037	0.8
155.08553	4.0
156.09337	2.3
157.10136	8.5
158.10487	0.9
159.08098	2.0
159.11716	6.8
160.12108	0.9
161.09660	2.9
161.13255	1.2
163.11102	0.8
165.07037	1.1
166.07782	0.9
167.08548	2.0
168.09319	1.5
169.10123	7.0
170.10886	1.6
171.08105	0.7
171.10347	1.4
171.11702	5.4
172.12201	0.9
173.09662	1.8
173.13298	2.8
175.11247	1.5
175.14775	1.0
179.08533	1.7
179.10648	0.9
180.09456	1.1
181.10112	4.4
182.10892	1.3
183.11667	5.5
185.09625	1.4
185.13251	3.8
187.11224	1.1
189.12794	1.9
191.10475	1.0
192.09325	1.0
193.10095	3.6
194.10844	1.2
195.08121	0.8
195.11656	4.6
196.12305	1.2
197.09631	1.7
197.11714	1.0
197.13234	5.0
198.14026	0.8
199.11269	1.5
199.14868	1.5
201.12720	1.1
203.10768	1.1
205.10237	1.1
205.12262	0.7
206.10928	1.6
207.11720	5.4
208.12386	1.8
209.09691	0.8
209.13251	5.2
210.10374	0.7
210.13826	1.6
211.11189	1.3
211.14856	3.7
213.12814	1.1
213.16484	0.7
215.14223	0.9
217.12309	0.9
218.10898	1.0
219.11769	1.7
220.12416	0.8
221.13283	4.4
222.13820	0.9
223.11212	1.3
223.14845	4.7
225.12761	1.7
225.16426	1.9
226.16884	0.8
227.14301	1.1
231.13870	1.1
233.13351	1.5
235.11269	1.4
235.14761	2.4
237.12781	1.6
237.16388	2.7
239.14302	1.8
243.13869	0.8
247.14809	1.0
249.12769	1.3
249.16440	1.8
251.14232	1.1
251.18028	1.5
253.15894	0.8
253.19469	0.8
261.12704	1.1
263.18018	2.6
264.18719	0.8
265.08643	0.8
265.12308	0.7
265.15894	1.2
265.19464	0.8
267.06531	1.4
267.13742	1.6
269.11703	1.0
269.15430	1.7
277.08286	1.1
277.15842	0.6
277.19504	0.7
279.10101	1.6
279.13950	0.9
279.17200	0.8
281.15457	0.8
283.13794	1.3
283.16983	2.7
289.15829	1.2
291.10236	1.0
293.08145	1.5
293.11639	1.6
295.09793	1.1
297.07529	1.3
297.18582	1.4
305.11902	0.8
305.19308	1.3
305.22522	1.0
307.09637	1.6
307.13171	0.8
309.11179	0.9
309.18576	0.8
321.11371	1.2
321.18631	0.7
322.12070	0.9
323.09189	1.1
323.20056	3.4
329.10172	1.3
331.11823	1.3
335.12817	1.2
336.13571	0.9
337.10742	1.7
339.12360	2.0
341.21066	2.0
351.23007	0.9
353.13828	4.1
354.10959	1.1
367.15414	2.8
368.16095	4.6
369.13373	2.7
377.24652	2.0
384.15747	0.8
399.18048	3.8
403.26526	6.1
405.24228	1.4
413.15836	0.9
417.18991	1.5
417.27933	2.2
419.29568	1.2
423.25418	2.2
427.26120	1.6
435.28912	2.8
445.27280	7.4
450.20337	1.5
453.30048	0.8
463.28445	18.0
464.28888	3.3
481.22156	2.5
481.29404	8.0
482.29581	0.8
499.19284	1.1
499.24237	0.8
499.30524	3.0
499.37436	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.01865	2.0
55.05501	2.5
57.07057	0.9
57.57807	0.8
65.03947	1.7
67.05510	3.7
68.99771	1.3
69.03429	15.9
69.07065	2.1
70.57912	2.2
71.05004	1.5
79.05064	1.1
79.05497	19.0
81.03412	1.2
81.07059	85.5
82.07375	2.0
83.04983	2.1
85.06580	0.9
91.05477	15.5
93.07041	7.7
95.04977	5.6
95.08599	4.3
95.57811	0.6
97.02884	2.0
97.06537	2.7
99.04474	0.8
103.05488	1.2
105.07032	17.9
107.04955	2.4
107.08022	0.7
107.08614	5.9
109.02879	2.6
109.06520	32.4
109.10157	1.3
111.04445	1.7
111.08086	2.3
114.07193	0.7
115.03932	0.6
115.05460	2.2
116.06239	1.0
117.07017	8.0
119.04939	1.7
119.08584	8.4
121.06522	7.4
121.10114	1.7
123.04453	2.6
123.08072	7.0
125.06001	1.0
128.06216	6.4
129.07014	8.4
130.07779	1.8
131.08577	9.4
133.06494	6.5
133.10190	5.2
135.04411	1.2
135.08061	9.9
135.11607	0.8
137.02396	5.1
137.05978	100.0
138.06287	2.4
139.07547	3.8
141.06961	5.6
142.07785	5.2
143.08568	13.3
144.09283	1.1
145.06520	6.7
145.10124	8.1
146.07225	2.2
147.08066	5.9
147.11671	2.6
149.05957	1.9
149.09647	2.7
150.39258	0.7
151.07549	2.3
152.06201	1.0
153.05486	2.7
153.07004	2.5
154.07776	3.5
155.08545	12.3
156.09274	1.6
157.06500	1.7
157.10127	10.0
158.07312	1.3
159.08049	9.1
159.11700	4.0
160.08812	2.1
161.05965	1.9
161.09641	7.3
163.07581	5.2
165.05479	2.7
165.07024	3.5
166.05637	0.7
166.07803	2.3
167.08525	5.4
168.09377	2.3
169.06435	2.2
169.10129	11.4
170.10971	0.8
171.08054	5.8
171.11670	4.0
172.08807	2.1
173.05989	1.4
173.09634	7.1
173.13203	1.3
174.06712	2.0
174.10292	0.8
175.07562	3.9
175.11140	8.2
175.64763	0.9
176.08180	0.9
177.09081	2.0
178.07770	1.2
179.07019	4.4
179.08554	5.5
180.09268	3.5
181.06564	1.2
181.08601	5.1
181.10129	5.8
182.10907	1.7
183.08072	5.3
183.11688	8.5
184.08788	1.6
185.09659	7.0
186.10403	1.4
187.07536	2.3
187.11209	6.4
188.08293	3.1
189.09109	22.9
189.12756	2.0
191.08563	1.7
191.10632	1.0
192.09392	4.7
193.08595	1.5
193.10103	5.6
194.10933	2.8
195.08186	2.0
195.11713	6.3
196.08743	0.9
197.09645	4.1
197.13289	4.5
198.10338	1.0
199.07484	0.8
199.11142	4.1
199.14856	1.5
201.09149	1.7
201.12753	1.7
203.08757	1.6
203.10701	6.7
204.09271	1.9
205.10141	2.5
206.10948	4.5
207.08200	0.9
207.09999	1.0
207.11699	6.8
208.08864	1.0
208.12479	1.4
209.09700	4.1
209.13258	7.2
210.10370	1.3
211.11200	7.1
211.14857	2.8
212.11607	1.1
213.09132	5.0
213.12668	4.1
215.10683	1.8
215.14197	1.6
216.07771	5.6
217.08536	6.6
217.12157	1.5
218.09283	3.0
219.10083	2.6
219.11993	4.5
220.08810	0.8
220.12329	1.3
221.09604	2.0
221.13268	5.7
222.10449	2.2
223.11296	4.1
223.14842	1.8
225.09129	1.8
225.12741	10.5
226.13437	2.6
227.10701	2.5
227.14301	5.7
229.08530	1.4
229.12294	1.3
230.10883	0.9
231.10126	32.3
232.08676	0.9
233.09560	1.0
233.11479	1.0
233.13438	1.1
234.10417	0.9
235.11162	1.8
235.14890	1.7
237.12788	4.9
238.13449	0.7
239.10692	1.5
239.14232	5.4
241.12228	3.3
241.15933	2.3
243.10056	0.9
243.13834	3.9
245.11739	2.2
247.11224	3.0
248.11877	1.5
249.12927	2.0
250.13553	0.7
251.11443	0.6
251.14404	2.1
253.12440	0.9
253.15903	0.8
254.22850	1.9
255.13878	2.4
257.15393	1.7
259.13135	1.0
261.12854	1.1
261.16302	0.9
263.12506	3.3
265.12292	3.5
265.15787	1.0
267.13879	1.7
269.15405	1.2
271.13290	2.6
277.15897	1.1
279.13910	1.4
281.15274	1.4
283.13367	2.7
289.12378	0.9
297.14838	1.2
301.14383	6.1
305.15347	0.8
317.15466	1.1
373.17764	1.0
375.19617	1.5
377.21304	1.2
387.19751	1.1
389.20895	0.9
391.18884	10.3
393.20593	0.9
399.19556	1.0
401.21170	1.1
403.19000	5.2
405.20654	19.7
406.21292	3.9
407.22125	2.7
409.19977	4.4
417.20541	3.8
419.22018	3.2
421.19986	7.9
422.20590	1.0
423.21686	3.6
427.19205	1.0
433.19943	1.4
435.21729	3.9
437.23407	1.6
439.20929	6.0
445.20108	3.1
451.21298	3.0
453.22678	2.5
457.21997	0.9
463.21036	7.5
481.22235	10.4
499.23312	17.0
499.30212	1.6
500.23456	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01873	1.1
55.05513	2.9
64.81474	0.6
67.05518	3.7
69.03429	4.6
69.07066	1.8
71.05003	0.7
71.29539	0.7
76.27728	0.6
79.05491	3.6
81.03410	0.8
81.07067	4.4
83.04977	4.2
83.08604	1.1
85.06556	0.9
91.05476	7.3
93.07044	5.0
95.04967	1.8
95.08604	4.6
95.70515	0.7
97.06516	1.3
99.04437	0.7
103.05462	0.9
105.07035	8.7
107.04961	1.1
107.08597	4.4
109.06535	3.0
109.10168	2.6
111.04459	1.2
111.08077	1.8
115.05476	1.2
117.07028	3.6
119.08587	6.9
121.06521	4.1
121.10165	2.4
123.08068	2.3
128.06239	3.4
129.07014	4.8
130.07816	1.1
131.04881	0.8
131.06198	0.6
131.08563	9.4
133.06479	1.3
133.10146	5.2
134.06721	0.7
135.08051	3.1
135.11713	1.1
137.09587	0.9
139.07565	1.5
141.07008	2.4
142.07790	5.4
143.08582	9.6
144.09311	0.9
145.06497	2.2
145.10120	9.4
147.08073	2.5
147.11694	1.0
149.05952	1.2
149.09639	1.5
151.07611	1.6
153.07057	1.3
154.07762	1.4
155.08571	6.6
156.09373	1.9
157.06519	0.7
157.10120	10.5
158.07260	0.8
158.10651	0.8
159.08032	6.0
159.11676	4.7
161.09644	6.3
161.13229	1.0
163.07530	1.2
163.11214	1.5
165.07024	1.3
167.07079	5.2
167.08582	3.3
168.09331	1.1
169.10126	7.0
171.08041	6.3
171.11717	3.1
172.08705	0.7
173.09605	6.3
173.13339	1.3
175.07591	1.0
175.11229	2.6
177.09109	1.1
179.08595	2.0
180.09355	1.8
181.08705	1.2
181.10086	4.1
182.10944	2.9
183.08119	1.6
183.11693	3.9
185.09610	6.2
185.13335	1.9
187.07539	20.4
187.09074	1.1
187.11151	5.7
187.14911	1.2
188.07971	0.7
189.09138	2.6
191.10661	1.1
192.09393	2.7
193.10167	2.2
194.10979	1.2
195.08086	3.6
195.11737	3.9
197.09639	3.8
197.11728	0.8
197.13261	5.1
198.10327	0.7
199.11140	4.2
199.14819	0.9
201.09109	1.6
201.12755	1.0
203.10666	2.2
205.10222	1.2
205.12199	0.9
206.10899	1.3
207.11713	9.4
208.08887	1.2
208.12253	0.7
209.09679	2.2
209.13297	2.9
210.10484	2.7
211.11212	4.8
211.14824	1.5
213.09251	0.8
213.12747	2.6
213.16393	0.7
215.10815	1.2
215.14389	1.8
216.09297	0.9
217.10216	1.1
217.12181	0.9
218.11044	0.9
219.11720	1.1
221.09676	1.5
221.13324	2.8
222.13927	0.7
223.11235	5.0
224.11954	1.0
225.10797	1.1
225.12770	12.6
226.13203	0.9
227.10674	2.1
227.14307	0.8
229.12308	1.5
230.10901	0.8
231.11729	1.6
233.13232	1.0
234.10448	0.9
235.11250	1.5
235.14893	0.8
237.12744	2.8
239.10754	1.2
239.14352	1.8
241.12245	2.8
243.13878	2.7
245.13345	1.3
246.13908	0.9
247.15097	0.9
249.12813	2.7
251.10678	1.0
251.14417	1.2
253.12276	4.8
257.15469	1.4
259.14737	0.9
261.16333	0.8
263.14355	1.2
265.15842	0.7
269.15540	0.8
270.13763	0.7
275.14182	1.0
277.15442	1.0
286.13434	0.8
287.14645	0.8
293.15674	0.9
303.14185	0.7
305.15472	0.7
313.16025	0.9
315.17349	1.0
327.23416	0.9
352.18173	0.8
381.22293	1.1
383.18744	0.9
385.21710	1.1
391.20700	1.8
399.23172	2.0
409.21631	5.3
417.24432	1.7
423.21347	2.1
427.22690	10.5
428.22870	1.2
435.25040	1.2
445.23746	14.5
446.24222	1.4
463.24814	100.0
464.25159	9.8
481.25385	3.3
499.25952	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44585	1.2
53.03954	3.9
55.01867	1.3
55.05508	5.6
56.80266	1.2
66.93824	1.2
67.05511	13.5
69.03433	2.9
69.07063	3.0
69.09824	5.4
69.10239	5.3
79.05495	9.9
81.03418	4.6
81.07058	10.8
83.04984	11.9
91.05486	15.6
93.07039	22.4
95.04981	5.6
95.08614	20.7
96.08973	1.3
97.06536	3.5
99.04443	2.8
103.05518	1.4
105.04498	1.4
105.07037	17.5
107.04959	2.1
107.08596	11.9
109.06519	6.1
109.10182	3.4
111.04442	8.1
111.08078	8.9
115.05473	2.2
117.06996	7.2
119.08591	20.1
121.06515	6.8
121.10170	4.4
123.08059	6.4
128.06256	4.1
129.07013	8.2
130.07809	2.3
131.08566	13.8
133.06447	2.2
133.10135	13.4
135.08070	4.9
137.05977	3.6
139.07555	4.8
141.06967	4.4
141.09102	1.3
142.07802	5.3
143.08539	11.3
145.06529	2.3
145.10126	13.4
147.08055	6.6
147.11681	6.9
149.09654	1.6
153.07047	1.9
154.07771	2.5
155.08569	8.8
156.09355	4.4
157.06548	3.9
157.10132	10.8
158.07237	2.3
159.08058	6.7
159.11716	5.5
161.05997	2.5
161.09636	5.0
161.13254	2.0
163.07573	1.3
165.07043	3.7
167.08601	5.1
168.09319	2.3
169.06621	1.7
169.10127	8.0
170.07414	1.3
170.10837	2.6
171.08034	7.0
171.11678	8.2
172.08682	1.4
173.09637	10.2
173.13297	3.2
175.07599	1.9
175.11235	3.3
177.09106	2.5
179.08577	4.3
180.09335	1.7
181.06593	1.8
181.10095	7.7
182.07248	2.3
182.10817	1.8
183.08043	4.5
183.11667	7.2
185.05952	2.8
185.09631	5.1
185.13307	3.7
187.07582	2.1
187.11230	4.6
187.14653	1.4
189.09109	3.3
189.12799	3.0
192.09303	2.2
193.10141	5.5
194.10913	3.3
195.08107	3.6
195.11734	8.1
196.08989	1.9
197.09575	6.6
197.13264	4.9
199.11229	6.5
199.14873	3.8
201.09143	8.4
201.12842	3.6
203.08633	1.5
203.10712	1.7
205.10205	4.9
206.10872	2.8
207.11693	7.6
208.08900	2.8
209.09663	4.1
209.13272	7.2
210.10385	2.7
211.07698	2.1
211.11249	5.6
211.14838	2.8
213.09067	2.4
213.12791	4.0
215.08710	2.1
217.10181	3.9
218.10814	1.8
219.10007	2.7
219.11879	3.1
220.12381	1.9
221.09685	3.0
221.13293	4.2
222.10370	1.8
223.11195	12.9
223.14592	1.8
225.09161	7.4
225.12773	4.2
225.16324	1.8
227.10706	4.1
227.14311	4.1
230.10887	1.9
231.11723	3.2
232.12453	2.8
233.09735	1.9
233.13249	3.8
233.15390	3.7
234.10460	2.7
234.14351	1.8
235.11229	4.8
235.14928	3.4
237.09142	1.5
237.12767	2.8
237.16495	1.7
239.10670	3.2
239.14337	4.6
241.12254	3.2
243.11612	1.9
243.13828	1.6
244.12494	2.2
245.13246	3.2
245.15434	2.6
246.10207	1.5
246.13992	3.0
247.11235	4.4
247.14909	4.0
248.11739	2.3
249.12805	3.4
249.16412	1.7
251.10681	6.4
251.14389	3.2
253.12286	5.5
257.13235	1.9
258.14160	2.0
259.11133	2.1
259.14835	3.7
260.12241	1.3
260.15582	1.7
261.12723	3.1
261.16330	3.7
263.14410	4.7
265.12347	2.6
265.15750	2.4
267.13943	2.1
272.12051	2.9
272.15457	2.2
273.12735	3.3
273.16025	1.2
275.14337	3.6
276.14987	2.2
277.12753	1.3
277.15857	6.1
279.13889	2.0
279.17581	2.7
285.16287	3.3
286.13834	1.9
287.14261	2.1
287.17639	2.0
288.15137	2.0
289.15948	2.7
289.19513	1.7
291.13818	2.6
293.15457	3.0
303.14008	1.9
303.17487	3.3
305.15457	5.2
305.18890	3.0
307.16693	2.0
313.15817	4.0
315.17340	2.4
317.15329	2.2
317.18790	2.4
318.15820	1.8
319.17023	2.1
329.15298	2.5
331.16974	8.4
333.18451	2.6
335.20230	2.0
345.18527	2.4
346.19254	2.3
371.23904	1.9
381.22015	1.7
385.21887	2.4
387.19714	3.2
399.23203	7.1
401.24673	3.6
409.21451	3.9
417.24170	11.2
427.22604	15.5
428.22827	2.4
435.25644	2.6
445.23746	100.0
446.23865	9.4
463.24582	35.4
464.25339	2.0
481.29825	1.8
499.27438	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.3
53.72117	0.7
55.05510	5.6
57.03423	0.7
65.03934	1.0
67.05509	10.4
69.03430	3.5
69.03838	6.9
69.07059	1.8
71.04996	1.1
76.43977	0.7
79.05490	6.0
80.34103	0.7
81.03440	1.6
81.07063	6.3
83.04987	10.7
91.05481	14.1
93.07047	16.0
95.04996	4.1
95.05486	0.7
95.08610	16.5
97.06538	1.8
98.23403	0.9
99.04474	1.1
103.05463	1.5
105.06374	1.5
105.07036	17.6
107.04961	1.5
107.08588	9.6
109.06531	3.9
109.10147	3.5
111.04446	7.2
111.08080	8.4
113.06012	1.2
113.08809	0.7
113.92433	0.7
115.05444	3.7
117.07004	5.2
119.04951	1.9
119.08579	21.4
119.09442	1.1
121.06508	5.9
121.10163	3.9
123.04414	0.8
123.08077	4.9
123.11721	1.0
128.06201	4.9
129.07008	6.6
129.07811	0.9
130.07765	2.4
131.08574	12.9
133.06468	1.5
133.10138	15.1
135.08092	4.8
135.11707	1.1
137.05972	2.9
137.09625	3.1
139.07535	5.6
141.07021	5.6
141.09145	1.2
142.07784	4.3
143.08562	11.6
144.09309	1.4
145.06505	3.8
145.10121	13.0
146.07217	0.8
147.08069	4.6
147.11674	6.4
149.05971	1.3
149.09633	3.7
151.07440	0.8
153.07018	2.1
154.07767	2.3
155.08549	9.5
156.09343	3.8
157.06502	2.9
157.10126	12.6
158.07248	2.1
159.08067	9.0
159.11700	9.2
161.05989	2.0
161.09644	6.1
161.13292	2.3
163.07553	1.5
163.11217	0.9
165.07022	3.4
166.07735	1.7
167.08563	4.0
168.09358	1.9
168.25381	0.8
169.06430	0.9
169.10138	6.9
170.10941	1.3
171.08052	8.5
171.11703	7.6
172.08771	1.7
173.09616	12.5
173.13278	2.1
175.07542	2.1
175.11201	5.4
177.09085	1.5
178.07761	1.4
179.08543	4.6
180.09328	2.1
181.10103	4.9
182.07214	1.2
182.10881	3.0
183.08061	4.2
183.11679	6.1
184.12198	0.9
185.05986	3.0
185.09631	5.2
185.13274	3.5
187.07590	1.4
187.11177	6.3
189.09094	3.0
189.12770	3.4
190.07759	1.3
191.08540	1.8
191.10648	1.6
192.09317	2.7
193.10161	6.7
193.11874	1.1
194.10944	2.6
195.08133	1.9
195.11713	8.2
196.08856	1.8
196.12401	1.4
197.09656	6.9
197.13278	4.8
198.10368	1.1
199.07574	1.6
199.11156	5.4
199.14842	2.7
201.09135	8.0
201.12773	2.6
202.07748	1.1
203.08701	1.2
203.10713	1.1
204.09303	1.2
205.10138	5.0
205.11896	0.9
206.10968	2.3
207.08009	0.7
207.11682	7.2
208.08823	3.0
208.12425	1.7
209.09718	6.2
209.13332	4.7
210.10373	2.1
211.07567	2.1
211.11201	4.9
211.14867	2.1
213.09036	1.4
213.12709	3.2
215.08693	1.1
215.10683	1.9
215.14249	1.2
216.09427	1.6
217.10188	1.1
217.12103	0.8
218.10934	1.8
219.08035	0.9
219.10023	2.3
219.11729	3.4
219.13652	0.9
220.12451	2.5
221.09648	2.0
221.13284	4.4
222.10364	1.5
222.13963	1.3
223.11214	11.6
223.14799	2.1
224.11745	0.9
225.09167	9.8
225.12694	7.9
227.10721	4.2
227.14265	4.2
229.10139	3.0
229.12254	1.7
230.10861	2.7
231.11641	3.4
232.09036	1.2
232.12599	2.4
233.09599	2.0
233.13303	3.6
234.10345	1.3
234.14053	1.6
235.11165	4.8
235.14804	3.1
236.12038	1.0
237.09044	2.2
237.12746	3.3
237.16461	1.8
239.10703	5.0
239.14345	3.2
241.12361	2.4
242.10747	0.8
243.11722	2.2
243.13824	1.3
244.12416	3.5
245.09669	1.3
245.13286	5.4
245.15303	4.3
246.10451	0.9
246.13989	1.5
247.11215	3.0
247.14732	3.9
248.12022	1.2
248.15414	0.8
249.09140	0.9
249.12802	4.0
249.16403	3.1
250.13641	1.0
250.16994	0.9
251.10655	8.8
251.14284	2.2
253.12337	6.6
255.11497	1.1
257.13132	1.9
257.15521	1.4
258.13995	1.3
259.11240	2.0
259.14716	3.3
261.12799	3.8
261.16354	3.3
262.13641	1.6
263.10623	1.4
263.14337	4.0
263.17917	1.1
264.14941	0.8
265.12146	2.1
265.15967	2.5
267.14142	1.0
267.17416	1.0
271.14890	2.2
272.11926	1.8
272.15231	0.9
273.12674	2.2
273.16406	1.7
274.13513	1.3
275.10727	1.3
275.14285	3.4
275.17899	2.2
277.12347	2.5
277.15909	5.2
277.19019	1.0
278.16428	1.1
279.13770	2.0
279.17331	1.6
281.15421	1.1
285.12784	1.7
285.16321	2.2
286.13721	1.2
286.17163	1.3
287.14331	4.2
287.17673	1.5
288.14944	2.4
289.12454	1.6
289.15778	4.0
289.18997	1.2
291.13840	4.4
291.17249	1.5
293.15570	1.6
299.14252	1.7
301.15799	1.4
303.13834	2.7
303.17453	4.5
304.14343	1.2
305.15326	6.3
305.19070	2.4
306.15982	1.3
307.16977	2.4
307.20331	1.0
313.15958	2.7
315.17505	2.4
317.15665	1.4
317.18951	1.8
318.19470	0.9
319.17050	1.2
327.13956	1.1
328.18201	1.5
329.18994	1.3
331.16885	8.9
332.17499	1.3
333.18539	3.5
335.19937	1.8
345.18469	1.1
346.19171	2.4
356.64148	0.9
367.16412	1.0
371.19965	1.3
381.21863	2.0
385.21646	1.8
387.19482	3.1
399.23141	5.6
400.23560	1.0
401.24918	4.2
403.22781	1.2
404.61057	0.8
405.20560	1.1
409.21701	3.4
417.24197	12.4
418.24530	1.5
419.25757	2.4
427.22656	17.7
428.23053	2.1
435.25156	3.4
439.28448	2.5
445.23712	100.0
446.24115	9.6
463.24725	33.8
464.25156	2.8
481.25977	3.3
499.26740	13.4
500.26932	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
53.09644	1.3
55.01878	1.7
55.05510	10.9
57.03435	2.0
58.36908	1.5
65.03921	2.6
65.14925	1.6
67.05503	14.2
69.03426	4.2
69.07065	4.0
69.21110	2.6
69.21521	9.5
71.04991	2.3
79.05508	11.3
81.03413	3.0
81.07069	14.2
83.04984	28.8
83.08640	2.8
84.99387	1.4
85.06560	1.5
91.05482	24.3
93.07043	30.5
95.04972	6.3
95.08605	28.7
97.06532	5.9
98.23415	2.4
99.04478	1.5
103.05495	2.2
105.04515	2.1
105.07041	20.4
107.04928	2.0
107.08582	13.4
108.08887	1.5
109.06516	9.7
109.10160	3.9
111.04436	15.7
111.08096	13.0
113.05978	2.0
115.05479	2.1
116.06248	2.9
117.07031	9.8
119.04827	1.9
119.08571	18.0
121.06512	13.3
121.10165	5.9
123.08076	5.5
123.11711	2.1
125.06016	2.1
128.06219	6.1
129.06998	8.2
130.07800	3.4
131.08580	14.0
133.06496	3.8
133.10135	16.3
135.04420	1.8
135.08046	6.9
135.11749	2.2
137.05997	5.8
137.76303	1.6
139.07593	7.7
141.06960	7.9
141.09161	1.8
142.07776	8.9
143.08595	16.7
144.09232	1.6
145.06458	4.3
145.10101	19.3
146.10582	1.8
147.08054	6.8
147.11691	7.2
149.05965	3.0
149.09624	3.9
150.21478	1.4
153.07030	2.2
155.08569	15.0
156.09355	5.5
157.10127	18.1
158.07266	4.5
158.10884	1.6
159.08064	10.5
159.11729	9.3
161.09644	7.3
161.13229	3.2
163.07541	3.5
165.05597	2.1
165.07027	4.2
166.07777	3.5
167.08595	4.8
168.09366	3.2
169.10109	15.0
170.10864	2.6
171.08023	11.8
171.11684	12.2
173.09639	10.9
173.13263	3.3
175.07617	2.0
175.11177	2.9
177.09132	2.3
178.07819	2.7
179.08542	6.7
180.09341	3.9
181.10094	9.5
182.10974	3.8
183.08080	5.9
183.11694	12.7
184.08875	2.5
185.09628	6.3
185.13303	8.6
187.07588	3.0
187.11166	8.1
189.09113	2.7
191.08516	2.0
191.10638	2.1
192.09410	5.2
193.10126	9.6
194.10951	4.2
195.08090	3.3
195.11696	14.5
196.12373	3.9
197.09566	4.3
197.13292	9.2
198.13879	1.6
199.11220	6.4
199.14911	1.9
201.09041	7.6
201.12787	3.2
203.08524	2.2
204.09265	2.4
205.10083	8.1
206.10953	5.2
207.11714	15.0
208.08804	6.1
208.12376	4.1
209.09714	6.8
209.13255	7.6
210.10233	2.1
210.28308	1.5
211.11165	6.5
211.14822	3.3
213.09154	3.4
213.12805	4.0
215.10539	1.6
217.10132	4.8
217.12137	2.3
218.10913	3.8
219.11732	11.9
220.12471	4.8
221.09590	3.9
221.13184	7.4
222.10339	3.4
222.14046	2.5
223.11188	13.3
223.14807	4.3
224.11830	1.9
225.09131	2.2
225.12750	10.0
225.16443	1.9
227.14371	3.4
229.10092	2.8
230.10927	5.1
231.11694	5.7
232.12422	4.1
233.09644	3.4
233.13263	6.3
234.13968	3.1
235.11154	8.0
235.14813	6.8
236.11960	1.7
236.15582	1.6
237.12756	6.1
237.16399	3.5
238.09853	1.6
239.10678	3.9
239.14328	4.8
241.12303	4.3
243.11676	5.0
243.13863	1.7
244.12495	5.0
245.13351	10.6
245.15480	2.3
246.10344	2.8
246.14023	4.9
247.11079	2.8
247.14912	7.5
248.11810	2.8
249.12750	4.4
249.16277	3.6
250.13470	1.9
251.10681	5.3
251.14331	3.9
251.17862	1.6
251.20290	1.7
253.12198	6.0
253.15897	2.7
255.11601	1.8
255.13910	2.2
257.13309	3.9
258.13980	4.0
259.10999	2.8
259.14856	5.5
260.12061	1.6
260.15594	3.6
261.12811	3.4
261.16437	7.9
262.13412	1.8
263.14285	4.8
265.12241	2.8
265.15845	2.2
269.15582	2.2
271.10931	2.1
271.14679	2.6
272.15625	2.3
273.12671	4.6
273.16205	3.5
274.13565	2.0
275.14249	6.1
275.17905	5.0
276.15112	1.8
277.15900	7.6
277.19370	1.9
279.13776	2.7
279.17282	1.8
281.15372	2.3
283.17044	4.1
285.16370	3.4
287.14188	3.8
287.17783	2.9
288.15210	1.9
289.15823	6.0
289.19125	2.1
291.13782	4.5
291.17151	2.1
293.15552	2.8
293.19000	9.9
295.16928	5.3
298.13455	3.2
299.14423	2.4
301.15796	2.2
303.13785	2.5
303.17355	2.9
305.15323	6.5
305.18735	2.4
306.16037	3.0
307.16983	4.4
307.20361	2.9
313.15799	3.8
315.17410	2.5
317.15204	2.7
317.18890	2.2
319.16974	1.7
323.16553	1.7
325.21555	1.7
331.16898	8.0
333.18646	2.7
335.19965	8.3
346.19232	4.1
353.21106	4.3
364.20050	1.7
371.22064	9.8
385.21695	3.6
387.19769	2.4
389.24716	2.2
399.23126	9.4
401.25058	9.5
403.22488	4.6
405.20746	3.1
409.21619	3.5
417.24072	7.9
419.25641	2.5
427.22665	26.6
428.22702	1.9
435.25043	2.1
445.23724	100.0
446.24045	10.1
463.24664	31.9
464.24930	2.9
481.25720	42.7
482.25897	4.2
499.25439	35.0
500.26563	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.7
58.60931	1.8
59.16532	2.0
67.05490	7.1
69.03424	4.8
69.07076	4.6
69.16413	13.5
71.05002	2.4
79.05489	7.2
81.03413	2.0
81.07052	17.4
83.04967	3.1
85.06510	2.5
91.05482	10.5
93.07023	11.5
95.04960	8.3
95.08596	13.8
97.02889	4.7
97.06522	5.0
98.23317	2.7
98.45397	1.8
99.04443	7.1
105.07017	14.3
106.85178	1.8
107.08620	10.3
109.06516	27.1
109.10167	4.6
111.04423	4.5
111.08080	5.6
117.07011	7.4
119.08570	16.7
121.06507	6.2
121.10136	5.7
123.08046	10.5
123.11668	2.4
125.06016	1.7
125.09641	2.3
127.03895	2.4
128.06226	4.0
129.06985	6.2
129.68964	2.1
131.08575	6.8
133.06500	3.0
133.10139	13.7
135.08063	3.8
135.11667	2.6
137.05989	17.2
137.09630	3.0
139.07529	3.0
141.06947	6.4
142.07838	3.2
143.08572	17.5
144.05437	1.9
145.06526	2.7
145.10107	8.2
147.08025	20.3
147.11664	6.6
149.09583	3.1
151.07512	2.6
153.06995	2.3
155.08563	11.2
156.09393	3.0
157.10130	14.6
159.08022	3.6
159.11731	5.7
161.09613	12.1
163.03903	2.2
163.11057	2.2
164.68414	2.0
165.06917	4.2
167.08574	6.2
168.09291	2.2
169.10085	11.1
171.08060	3.7
171.11693	11.7
173.09656	7.0
173.13240	3.6
175.07501	3.0
175.11227	4.3
177.09093	2.0
179.08531	4.7
181.10138	10.7
181.12225	1.9
182.10918	2.8
183.08032	2.3
183.11624	9.1
185.09657	5.5
185.13264	7.3
187.11166	5.3
187.14886	2.5
189.09116	6.0
191.08522	2.5
192.09451	3.0
193.10104	7.6
195.11700	13.1
196.12402	2.9
197.13295	5.1
199.11215	4.6
199.14798	8.3
201.12740	2.9
203.08876	2.2
205.10289	3.4
207.10109	25.9
207.11774	5.8
209.09688	3.7
209.11565	2.4
209.13237	12.1
211.11197	5.6
211.14803	5.5
212.15556	3.3
213.12733	1.9
217.10133	2.5
219.11755	4.0
221.13263	6.9
223.11247	3.2
223.14851	3.7
225.12776	3.9
225.16365	2.6
227.14374	11.9
233.13255	4.0
235.14822	2.2
237.12920	3.8
237.16330	6.0
239.14256	3.6
245.18176	2.3
247.14781	8.7
249.16405	4.2
251.14349	4.9
263.14362	2.8
265.15881	7.4
265.19632	2.2
266.16568	2.8
267.17523	3.6
267.21109	2.7
275.17960	2.1
277.19449	3.7
279.13788	2.6
279.17630	2.5
291.17065	2.1
293.19037	3.3
295.20572	6.5
305.19028	5.4
323.20035	6.1
325.14227	2.5
337.21603	3.5
403.22742	3.6
421.23721	85.8
422.24084	11.4
423.21365	13.1
437.26825	7.6
439.24817	100.0
440.25238	9.6
455.28351	3.9
463.25424	4.5
481.25970	6.4
499.22763	17.2
526.04315	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2689
Annotation	12,13-Deoxyroridin E
Peak:m/z	Relative Intensity
53.03936	2.8
55.05509	15.8
65.03954	2.6
67.05505	16.4
68.99780	2.3
69.07071	2.9
69.75635	12.0
79.05476	11.4
81.07043	16.4
83.04988	18.0
87.58342	2.2
91.05491	15.7
93.07040	19.0
95.04970	8.4
95.08605	26.8
97.06554	5.3
98.22609	3.3
105.07022	15.8
107.04971	4.4
107.08580	13.9
109.06529	10.1
109.10155	2.8
111.04474	5.1
111.08086	5.7
115.05454	4.3
117.07007	6.5
119.04971	3.3
119.08582	12.5
121.06541	5.5
121.10157	6.7
123.08073	8.1
128.06201	2.9
129.07025	6.2
131.08559	10.3
133.10146	9.8
135.04408	12.5
135.08107	4.4
137.05975	6.1
139.07497	3.8
141.07036	4.1
142.07770	7.3
143.08580	13.4
145.06573	3.1
145.10106	14.8
147.08105	7.8
147.11697	4.9
149.73230	2.6
153.00111	2.1
155.08588	8.8
156.09334	3.0
157.10130	11.7
159.08069	5.5
159.11691	9.9
161.09613	6.5
163.11014	2.5
165.06982	3.0
167.08585	3.0
169.10152	9.2
171.08084	8.5
171.11690	8.0
173.09685	4.5
173.13347	3.6
175.07523	3.5
175.11186	4.3
179.08562	5.6
180.09276	4.6
181.10100	6.4
183.11674	8.7
185.13318	2.8
187.07631	2.9
187.11191	4.2
189.09230	2.6
189.12740	4.0
193.10127	7.3
194.10966	2.9
195.11674	12.4
196.12358	2.8
197.09601	5.0
197.13297	4.9
199.11243	5.0
199.14893	2.9
205.10204	4.0
206.10870	2.7
207.11742	7.2
209.09596	5.1
209.13319	8.1
210.10258	2.2
211.07582	2.5
211.11263	5.7
213.09070	2.6
213.12755	3.8
217.10205	3.3
219.11710	4.2
221.09659	2.6
221.13254	5.3
223.11122	11.2
223.14838	4.0
225.12698	3.2
227.10683	3.1
229.12186	2.8
230.10829	2.7
233.13312	5.0
234.14226	2.9
235.11177	4.8
235.14758	4.9
237.12700	4.4
239.10631	4.9
239.14302	4.5
241.12263	5.6
243.13731	2.8
247.11333	3.2
247.14880	2.7
248.12155	3.7
249.12720	4.3
249.16513	3.0
251.10626	12.0
251.14308	5.1
253.12300	2.9
253.15816	3.8
261.12866	4.4
262.13586	3.4
263.10687	2.5
263.14279	6.0
265.12161	2.6
265.15823	4.0
267.13779	3.4
277.12582	2.8
277.15945	5.8
279.13782	6.6
281.15326	9.0
287.14383	2.7
290.38272	2.6
291.13773	2.6
295.17123	3.5
303.17270	3.3
305.15274	10.2
305.18637	3.9
307.35919	2.3
309.14963	2.7
313.15717	3.6
323.16379	9.5
331.16940	4.6
349.17816	4.5
399.23334	3.4
401.20908	2.9
405.20743	5.2
407.25525	2.7
417.23944	12.2
419.21875	5.4
427.22632	8.9
435.25290	5.1
437.22552	11.8
445.23688	34.9
446.23575	4.6
463.24728	100.0
464.24838	6.9
481.25787	31.1
482.26627	2.6
499.26758	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.8
53.03933	2.0
55.01861	3.0
55.05517	6.7
57.03429	1.3
57.07076	2.2
59.04988	1.0
61.74378	1.0
65.03937	1.1
67.05502	8.6
69.03428	38.3
69.07079	7.1
71.04996	5.1
71.24035	0.7
78.68964	0.8
79.05494	10.8
80.22704	0.8
81.03391	0.9
81.07052	23.2
82.07401	0.9
83.04978	6.1
83.08586	1.7
85.06525	3.3
87.34249	0.9
91.05479	15.6
93.07039	16.1
95.04958	6.4
95.08607	15.4
97.02894	4.7
97.06528	11.7
99.04456	8.8
101.05999	4.2
103.05475	1.9
105.04475	0.9
105.06366	1.6
105.07030	20.2
107.04963	1.7
107.08597	13.8
109.02891	1.0
109.06515	22.9
109.07241	1.4
109.10127	5.8
111.04447	3.5
111.08080	8.7
113.05972	1.4
115.05467	2.8
117.07030	8.5
119.08579	21.3
121.06549	4.3
121.10133	10.0
123.04404	1.3
123.08071	10.2
123.11696	3.8
124.83048	0.9
125.05983	3.4
125.09650	2.5
127.03870	1.2
127.07540	1.1
128.06180	5.4
128.55099	0.9
129.05502	1.2
129.07004	10.0
130.07739	1.2
131.08560	14.3
133.06502	1.8
133.10133	18.7
135.08037	4.8
135.11713	5.2
137.05981	19.7
137.09607	4.0
138.06392	0.8
139.07544	7.2
139.11156	7.2
141.06955	9.8
141.08975	0.8
142.07764	5.4
143.08566	20.7
144.09285	1.6
145.06468	2.8
145.10115	13.1
147.08046	17.4
147.11693	6.0
149.09593	6.2
151.07478	1.9
153.05434	2.2
153.07021	1.2
154.07755	2.3
155.07286	1.8
155.08542	15.7
156.09361	4.5
157.06554	0.9
157.10121	17.2
159.08066	4.6
159.11707	8.5
159.62079	0.9
161.09625	14.7
161.13277	2.4
162.10008	1.0
163.07555	1.1
163.11218	7.8
165.07018	2.3
165.09114	1.8
166.07774	2.5
167.07178	1.9
167.08556	6.9
167.10713	5.3
168.09320	2.6
169.10123	14.9
170.10860	2.4
171.08073	3.0
171.11705	14.9
172.08838	1.7
172.12216	1.6
173.09610	6.6
173.13263	9.4
175.07550	2.8
175.11189	6.5
177.09177	2.0
178.07782	2.6
179.08492	5.7
179.10727	1.2
180.09300	3.7
181.08612	1.1
181.10127	13.4
181.12236	24.9
182.10831	3.5
183.08080	2.2
183.11674	12.7
184.12482	2.1
185.09631	3.7
185.13235	8.0
187.07455	1.4
187.11211	3.4
187.14795	2.5
189.09128	6.6
189.12787	3.2
191.07031	0.9
191.08728	1.7
191.10677	6.0
192.09344	3.0
193.08574	1.5
193.10112	7.7
194.10883	3.8
195.08170	1.0
195.10184	1.2
195.11690	9.9
196.12369	2.2
197.09567	2.3
197.13254	11.3
198.10500	0.9
198.13957	1.9
199.11128	4.7
199.14795	7.6
201.09116	1.3
201.12726	4.2
201.16304	1.4
203.10686	0.9
203.14279	1.1
204.09369	1.4
205.10176	2.9
206.10843	1.5
207.10152	29.3
207.11761	7.1
208.10535	1.3
208.12428	2.6
209.09706	2.3
209.11717	53.8
209.13330	11.5
210.12099	1.7
210.13992	2.3
211.11198	2.6
211.14804	9.6
212.11913	1.0
212.15633	5.7
213.09128	1.0
213.12723	3.5
213.16350	2.5
215.10612	1.6
215.14339	2.6
216.09296	1.3
217.10152	1.9
218.10867	2.0
219.11647	3.3
220.12483	1.9
221.13322	7.9
222.13869	1.9
223.11171	3.3
223.14796	8.0
224.15419	1.5
225.12831	5.7
225.16377	3.7
227.10791	1.4
227.14304	16.8
228.14902	2.5
229.12192	2.0
229.15855	1.3
230.10887	1.2
231.11719	2.8
232.12392	1.1
233.13271	3.5
234.14029	1.4
235.11203	1.4
235.14830	5.3
237.12746	3.2
237.16324	7.4
238.17065	1.3
239.14241	2.9
239.17882	2.8
241.15800	1.4
245.13300	2.4
246.14021	1.8
247.11157	1.2
247.14792	7.1
248.15553	3.0
249.12718	1.3
249.16444	4.3
250.17178	1.7
251.14339	5.7
251.17842	1.6
252.18510	1.2
253.15837	2.0
255.13905	1.4
255.17223	1.0
257.15482	1.2
259.11154	1.1
261.16364	3.3
262.17114	1.2
263.14203	1.5
263.17941	2.4
265.15921	7.0
265.19492	3.4
266.16592	4.1
267.13803	2.4
267.17407	4.7
267.20883	4.1
269.15366	3.9
273.16470	1.5
275.17783	2.4
276.18515	1.2
277.16037	1.6
277.19489	6.3
279.17477	2.4
281.15347	2.7
281.18869	2.3
283.13516	1.0
283.16852	2.1
287.16409	2.9
289.19699	1.0
291.17117	1.1
293.18900	2.9
294.19711	1.5
295.20541	14.8
296.21100	1.4
299.16675	1.2
305.18893	4.3
307.16803	1.9
309.18796	1.0
311.23627	1.7
323.20044	5.4
325.21365	1.0
337.21783	2.3
339.23315	1.1
353.21060	1.5
355.22687	19.5
369.20261	1.3
371.22125	14.0
372.22476	1.1
383.22491	1.0
393.24081	2.4
403.22745	6.0
405.24426	2.2
413.96085	0.9
419.25708	1.4
421.23737	69.5
422.24142	6.4
423.25360	27.6
424.25873	4.1
435.20813	1.1
435.25928	1.1
437.26971	4.7
439.24786	100.0
440.25180	9.3
445.23929	1.6
453.26291	1.7
455.28128	4.2
463.25366	7.0
481.26157	12.7
499.21271	1.4
499.28131	6.9
504.08871	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23568	1.1
53.03947	2.8
55.01872	2.6
55.05517	3.4
56.16580	1.1
57.03442	1.4
65.03939	1.9
66.40159	1.1
67.05523	7.1
69.03426	11.0
69.07066	2.4
69.16606	9.1
71.04994	3.4
77.93467	0.9
79.05504	18.8
81.03395	1.4
81.07061	85.6
82.07409	1.5
83.04994	2.9
85.06555	1.7
91.05489	15.5
93.07050	12.8
95.04465	1.4
95.04974	7.7
95.08620	10.0
97.02926	3.9
97.06545	2.5
98.22616	2.6
98.97569	1.3
99.04458	7.3
99.30689	1.1
102.18230	1.1
105.07037	21.0
107.04972	2.0
107.08591	9.8
109.02818	1.2
109.06526	32.1
109.10178	4.4
111.04450	4.0
111.08107	5.2
115.05495	1.4
117.07047	9.7
119.04960	2.6
119.08590	13.2
121.06514	7.7
121.10156	6.6
123.04445	2.0
123.08080	21.3
123.11717	2.2
125.09650	5.5
127.03865	1.3
128.06252	5.2
129.07027	11.5
130.07800	1.8
131.04974	2.4
131.08585	15.8
133.06519	6.8
133.10156	11.3
135.04407	1.8
135.08069	8.9
135.11739	1.6
137.02335	2.9
137.05984	100.0
137.09619	3.3
138.06348	2.7
139.07553	2.1
141.06985	5.7
142.07777	5.9
143.08572	18.6
145.06511	7.4
145.10115	12.4
147.08051	12.1
147.11697	4.6
149.05951	1.6
149.09647	4.6
151.07512	1.7
153.05492	3.1
153.07013	2.8
154.07834	3.1
155.08536	16.7
156.09319	2.7
157.06549	3.3
157.10129	13.7
158.07376	2.0
159.08054	13.5
159.11716	8.5
160.08830	2.6
161.06007	1.5
161.09622	13.3
161.13232	2.7
163.07568	6.0
163.11194	1.6
165.05632	2.1
165.06914	5.4
166.07895	3.0
167.07182	2.8
167.08617	8.1
168.09309	4.0
169.10141	11.2
171.08067	6.4
171.11682	7.1
172.08861	2.2
173.09625	11.9
173.13300	5.0
174.10378	1.4
175.07654	2.9
175.11186	12.3
175.14807	1.6
177.00671	1.4
177.09106	2.2
178.07814	1.7
179.07065	4.7
179.08591	8.0
180.09366	3.6
181.08694	2.1
181.10147	11.1
182.10922	2.8
183.08119	3.7
183.11671	9.9
184.12483	1.5
185.09586	7.3
185.13277	5.2
185.14790	1.2
187.07635	2.0
187.11208	6.7
188.08389	2.4
189.09109	15.1
189.12755	2.5
191.07005	1.5
191.08629	2.4
191.10632	1.7
192.09358	4.9
193.10139	9.6
194.10933	2.9
195.08127	1.9
195.11696	10.0
197.09679	4.4
197.13199	6.3
198.10376	1.8
199.11208	5.3
199.14801	1.6
201.09082	3.7
201.12726	8.1
203.08792	2.5
203.10703	8.5
205.08522	2.2
205.10191	3.2
205.12177	1.5
206.10930	3.6
207.10063	9.9
207.11836	6.7
209.09659	4.4
209.13271	8.1
210.10455	1.6
211.11205	11.3
211.14868	2.7
213.09132	4.6
213.12798	4.6
215.10794	1.3
215.14441	1.6
216.07843	4.6
217.08627	4.6
218.10991	2.3
219.01813	1.4
219.10135	4.1
219.11794	5.1
220.12495	2.0
221.09758	2.6
221.13274	7.8
222.10501	1.3
223.11243	5.6
223.14832	3.4
225.12709	7.8
227.10710	2.3
227.14317	4.4
229.08459	2.0
231.10085	22.9
232.12665	1.9
233.09715	2.1
233.11526	2.9
233.13416	3.6
234.14024	1.3
235.11243	3.5
235.14833	4.0
237.12753	20.2
237.16455	3.0
238.13303	3.3
239.10745	2.5
239.14334	4.4
239.17972	3.0
240.14742	1.2
241.12318	4.0
243.13876	2.3
244.12463	1.4
247.11174	1.7
247.14821	1.8
248.11957	1.8
249.12836	6.6
249.16499	2.3
250.13652	1.7
251.10646	2.6
251.14394	5.6
251.18018	2.0
253.12254	4.1
255.13931	2.7
257.15359	1.7
261.12851	2.7
261.16611	2.2
263.14462	2.1
265.12280	4.4
265.15970	2.1
267.13889	3.7
267.17474	3.3
269.15466	2.8
271.13235	6.1
276.15115	1.2
277.12234	2.4
277.15601	2.4
279.13885	1.9
279.17459	1.9
281.15506	3.3
281.50482	1.2
283.13348	4.4
291.13760	1.4
293.18811	1.2
295.13501	2.2
295.17068	1.5
297.22064	5.8
307.17218	1.3
309.14786	1.7
313.14410	3.5
315.15997	1.7
325.14511	2.1
326.60861	1.2
327.22446	1.3
329.18820	1.3
333.54691	1.1
337.21826	2.6
355.22775	3.9
357.18427	2.6
369.20941	1.3
373.18362	1.8
373.23822	3.7
375.19421	1.8
389.20895	1.9
391.19000	20.6
392.19565	2.2
393.20584	19.2
394.20859	1.9
399.19147	1.5
403.18939	8.8
405.20291	13.5
407.22208	6.1
415.18475	1.4
417.20544	3.4
419.22092	2.8
421.19998	4.9
423.25430	40.2
424.25677	4.1
427.19016	1.6
433.20166	5.1
435.21509	4.3
437.26993	5.4
439.21054	4.8
445.19476	6.2
451.21329	7.1
453.22723	4.6
463.20309	10.8
464.21069	1.4
469.22266	5.9
481.22040	18.9
482.22531	1.9
499.23370	22.2
500.23578	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3056
Annotation	Euphohelioscopin A
Peak:m/z	Relative Intensity
53.03948	6.9
55.01875	20.2
55.05511	41.4
57.03436	4.3
57.07068	6.4
59.56944	3.3
67.05502	31.9
68.09185	3.0
69.03429	9.3
69.07076	9.7
69.43472	20.4
71.04989	5.9
72.48750	3.0
79.05481	24.9
79.85879	3.7
81.03410	3.6
81.07045	21.5
82.82391	3.3
83.04978	47.7
83.08646	3.2
85.06557	8.2
91.05470	31.5
93.07053	44.3
95.04945	8.7
95.08604	100.0
96.08906	4.7
97.06543	14.7
98.22669	4.6
99.04437	16.2
99.86832	3.5
105.07027	48.7
107.04919	4.1
107.08598	55.6
107.09280	4.3
108.08936	4.8
109.06528	15.9
109.10168	28.4
111.04442	83.7
111.08081	18.7
113.06030	7.4
117.07037	13.4
119.04889	3.2
119.08582	51.8
121.06514	22.7
121.10143	32.0
123.08071	53.5
123.08931	4.4
123.11726	4.8
125.06013	4.4
128.06174	4.1
129.07001	11.0
131.08572	32.7
133.06487	6.0
133.10138	42.0
135.08031	31.2
135.08849	3.4
135.11720	9.1
137.05998	6.2
137.09630	24.3
139.07521	8.2
141.06975	6.4
142.07770	8.1
143.08591	25.0
145.06482	7.3
145.10089	29.5
147.08072	12.6
147.11705	16.8
149.05949	3.9
149.09624	36.8
149.13329	3.4
150.09790	3.2
151.07489	5.8
151.11253	4.7
154.56703	3.3
155.08559	20.1
156.09326	11.8
157.10156	38.0
159.08078	26.3
159.11682	28.2
161.09619	27.3
161.13295	9.2
163.11177	3.9
165.09209	4.9
167.08614	5.1
168.09399	6.2
169.10107	20.8
171.11661	28.5
173.09618	22.4
173.13217	16.0
175.11180	23.3
177.09099	50.4
177.12657	3.1
179.08591	7.8
179.10617	5.6
180.09238	5.2
181.10159	10.1
182.10925	5.2
183.11658	26.7
185.09633	11.1
185.13281	13.4
187.11153	18.2
187.14815	6.8
189.09145	10.1
189.12698	8.3
191.10695	7.4
191.14389	7.2
193.10188	6.9
195.08342	5.0
195.10162	30.9
195.11751	16.3
197.09633	9.2
197.11639	3.7
197.13179	17.5
199.11185	12.7
199.14861	8.9
201.12776	15.0
201.16508	4.8
203.10728	5.4
203.14352	5.9
205.08553	8.5
205.10297	4.2
205.12465	3.8
206.10834	5.4
207.09990	4.5
207.11818	15.7
207.13417	3.8
209.09575	4.5
209.13257	13.9
210.13849	4.4
211.11122	7.4
211.14832	8.4
213.12849	8.3
213.16414	5.6
215.14301	6.5
219.11676	6.3
219.13786	4.8
220.12383	6.2
221.13251	19.4
223.09512	6.0
223.11414	6.1
223.14882	9.5
224.11748	3.7
225.12743	10.4
225.16290	7.8
225.96550	3.4
227.10721	5.8
227.14333	11.5
229.12308	4.0
229.15796	4.7
231.13741	6.3
235.14783	10.1
237.12675	4.7
237.16495	7.4
239.14299	15.1
239.17955	7.1
243.13889	5.9
243.17587	3.6
245.15346	3.5
249.12975	6.3
249.16519	6.4
251.17969	4.7
253.12041	4.9
253.15938	10.1
253.19542	7.2
257.15405	6.9
259.20667	7.3
263.17996	19.2
267.13803	11.3
267.17401	3.4
269.15387	5.3
269.18887	4.5
277.15732	4.1
277.19562	4.4
281.15610	7.1
281.19061	18.4
283.16830	5.5
287.19980	17.9
293.07971	7.2
295.20505	7.4
299.20114	10.3
307.16916	4.4
311.09259	3.5
313.21579	7.2
315.19739	3.8
323.19827	17.3
327.08344	7.1
341.21069	23.4
342.10724	8.3
343.11661	5.4
355.11429	4.0
359.22183	16.6
399.14441	8.9
403.26553	7.0
421.27444	19.0
437.30475	5.5
439.28543	42.4
445.27109	13.0
463.28714	37.8
464.28955	5.5
481.29584	59.6
482.29480	7.0
499.30954	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3054
Annotation	Globostellatic acid F
Peak:m/z	Relative Intensity
55.05505	18.7
67.05494	25.0
69.07050	7.7
69.11506	70.2
79.05476	11.5
81.07043	21.7
83.04983	20.7
83.66441	7.0
91.05470	18.8
92.39623	8.0
93.07043	25.6
93.22212	7.0
95.08595	45.9
105.07032	22.6
107.08581	19.7
109.06525	16.4
109.10173	14.2
117.07035	9.7
119.08565	23.8
120.48231	8.4
123.08070	14.9
131.08575	21.1
133.10130	24.2
139.07491	8.8
143.08548	15.1
145.10129	19.4
155.08534	20.6
157.10147	25.7
159.11703	16.6
161.09576	8.5
169.10168	16.5
171.11681	17.9
173.09628	9.8
173.13277	9.5
181.10161	17.5
183.11668	16.5
193.10120	21.3
195.11720	15.4
207.11693	16.2
209.13191	17.3
221.13286	23.2
223.14822	9.0
235.14833	12.5
244.41029	8.0
247.14738	9.6
249.12663	11.2
249.16252	9.4
267.13910	12.6
269.15317	11.1
281.15295	10.0
305.19080	12.0
323.20032	19.0
327.91937	9.2
345.20673	14.0
403.26163	20.5
404.26691	9.6
417.28436	11.1
417.80765	8.3
445.27438	25.1
463.28439	100.0
464.28748	34.4
481.29507	16.7
499.23843	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	17.6
55.01856	6.4
55.05513	27.8
64.76833	5.7
67.05515	29.6
69.03419	8.0
69.07070	18.9
69.54485	32.7
70.82026	6.4
79.05470	32.7
80.88798	6.0
81.03419	13.3
81.07064	36.8
83.04982	51.4
83.08602	7.8
84.58722	5.4
91.05482	49.1
93.07040	57.9
95.04982	18.4
95.08617	41.8
97.06548	8.7
98.23264	7.0
99.04466	23.1
105.07033	74.0
107.08604	64.9
109.02872	15.3
109.06521	29.9
109.10150	21.7
111.04457	20.8
111.08097	13.9
115.05487	7.8
117.06999	28.0
119.08583	73.5
121.06506	20.7
121.10138	53.7
123.08073	13.6
123.11670	9.9
128.06226	13.4
129.06978	20.7
130.07796	8.4
131.08578	45.1
133.06538	10.6
133.10162	58.0
135.08076	14.0
135.11687	29.7
137.09587	13.4
141.06987	14.5
142.07808	20.2
143.08545	42.9
145.06483	11.4
145.10123	76.4
147.08057	18.2
147.11710	42.4
149.05936	7.8
149.09587	14.6
149.13342	9.7
155.08571	21.7
156.09296	12.7
157.10132	78.2
159.08054	26.7
159.11684	40.4
161.09666	32.7
161.13344	9.3
163.07681	8.7
163.11195	15.5
166.07841	8.3
167.08574	11.9
168.09494	6.9
169.10156	37.9
170.10849	8.4
171.08099	10.1
171.11714	68.0
172.12358	9.5
173.09637	19.8
173.13245	31.5
175.11223	22.3
177.12726	11.5
179.08511	7.7
179.10722	6.8
181.10100	18.7
182.10825	12.4
183.08041	7.3
183.11688	39.7
184.12372	8.2
185.09662	8.6
185.13295	34.8
187.11185	42.4
187.14792	12.1
189.12779	12.0
192.09622	7.7
193.10164	14.1
194.10785	9.6
195.11707	22.7
196.12270	8.0
197.13252	50.7
199.11223	23.1
199.14883	29.4
201.12730	19.2
203.10716	10.4
205.12250	13.2
207.11664	21.9
208.12378	8.0
209.09557	6.4
209.13263	25.2
211.14871	20.4
213.12691	17.1
213.16370	8.9
215.10704	7.7
215.14258	7.0
217.12225	9.3
219.11873	9.2
219.13905	13.6
221.13271	15.7
223.11166	7.0
223.14830	12.2
225.12706	20.6
225.16425	12.5
227.14265	25.4
228.14990	12.1
229.12350	13.3
229.15932	7.6
231.13879	8.2
233.13228	7.8
234.13930	7.1
235.14888	12.7
237.16319	15.4
241.12282	10.7
241.15973	9.6
243.13724	30.7
245.15289	31.9
249.16336	7.5
251.17924	10.0
253.15866	11.3
257.15305	7.2
263.17828	7.5
265.19440	7.4
269.15399	12.9
271.17020	9.8
278.45917	5.8
279.17279	6.8
281.15613	10.7
281.18900	12.5
283.16885	11.3
291.17422	8.9
293.15167	6.6
295.16965	7.3
297.18585	16.9
299.19833	7.4
309.18591	12.3
311.20126	6.5
323.20004	13.9
325.21613	12.0
327.19516	100.0
327.23013	10.6
328.20056	7.5
345.20538	29.6
349.21851	8.5
365.24902	9.9
399.27100	6.1
403.26248	7.0
427.26630	11.4
445.27139	31.7
463.28464	74.2
464.28665	12.5
481.29568	53.7
482.29871	9.1
499.30460	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3057
Annotation	Globostellatic acid F
Peak:m/z	Relative Intensity
55.05514	9.1
55.76475	4.3
67.05504	9.6
69.07061	6.4
69.33801	14.8
69.34209	14.6
69.97834	5.2
79.05482	8.3
80.84220	5.0
81.07053	14.6
83.04977	12.3
91.05481	11.8
93.07031	22.1
95.08599	30.5
105.07031	16.7
107.08596	14.1
109.06536	8.9
109.10213	6.8
119.08604	23.3
121.10129	7.8
129.07030	5.6
131.08609	11.1
133.10161	11.1
135.08040	6.8
135.11656	6.1
137.25639	4.6
139.07524	7.1
143.08583	13.9
145.10097	12.3
147.11679	8.3
152.05730	4.8
155.08546	14.2
157.10182	24.7
159.11716	10.7
169.10159	15.0
171.11702	14.4
173.13217	7.4
174.60532	4.9
179.08496	6.2
181.10182	6.5
183.11671	11.7
185.13269	6.1
187.11157	7.9
193.10052	10.6
194.10875	7.4
195.11723	15.3
197.13332	9.3
207.11639	14.4
208.12338	9.3
209.13242	30.2
221.13237	20.4
223.14806	10.5
233.13435	5.0
235.15005	5.4
249.16351	7.8
257.15427	7.2
263.17911	11.9
267.13809	6.7
269.15472	11.4
305.18857	9.1
323.20068	12.9
343.20639	5.1
349.21857	5.3
403.26221	25.7
417.27631	6.6
419.29483	5.9
445.27380	27.0
463.28427	100.0
464.28784	14.0
481.29492	11.7
495.56058	5.1
499.24496	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3056
Annotation	Paraminabeolide C
Peak:m/z	Relative Intensity
55.05510	8.4
55.44096	7.1
56.50015	6.2
67.05505	20.6
69.07050	6.2
69.07769	54.5
69.81343	5.7
70.19209	5.8
74.36012	6.4
79.05473	6.8
81.07057	12.0
83.04978	10.5
85.06530	18.0
91.05471	11.6
91.88420	6.7
93.07017	14.5
95.08598	26.4
98.22552	10.5
105.07038	17.0
107.08616	17.1
109.06546	6.8
111.04465	7.0
113.06007	28.5
117.07047	7.8
119.08603	17.9
121.10174	7.8
131.08588	7.8
133.10120	10.8
142.07687	7.2
143.08589	19.7
145.10103	17.7
155.08569	14.0
157.10117	30.0
159.08005	10.7
159.11731	16.1
161.09677	10.4
167.08594	8.7
169.10123	14.1
171.10141	17.3
171.11549	14.5
180.09241	9.5
181.10078	14.3
183.11710	12.0
193.10110	14.8
195.11684	18.4
197.13329	13.4
207.11714	22.4
209.13234	17.5
220.12416	9.1
221.13264	18.7
223.14793	18.0
227.14310	7.2
233.13353	6.3
235.14867	11.1
237.16444	7.8
247.14925	6.3
249.16362	9.9
251.14203	9.9
263.14447	7.0
263.17914	14.8
264.07831	15.7
265.08609	13.2
265.15924	7.5
267.06509	22.3
267.13718	13.7
269.11758	9.4
279.10129	19.8
281.19418	6.9
293.08087	17.9
297.07483	9.1
305.18973	12.1
307.06281	9.4
307.09753	20.2
307.85947	6.6
308.10275	9.6
309.07526	9.3
323.20117	21.5
324.09961	10.8
324.20520	7.1
325.21417	8.1
329.10327	9.4
337.10535	9.8
338.11288	9.9
339.12210	23.0
354.10931	25.2
369.13336	28.0
403.26242	37.4
413.15927	18.5
417.28098	7.9
427.26440	8.9
430.52649	7.2
445.27078	30.9
463.28644	100.0
464.28748	24.5
481.29080	11.3
499.19635	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3058
Annotation	Globostellatic acid F
Peak:m/z	Relative Intensity
50.01605	1.3
51.02396	1.2
53.03946	10.9
55.01822	0.8
55.05235	1.1
55.05513	22.2
56.05840	2.0
57.03438	1.0
57.07073	2.1
62.85011	0.8
67.05507	6.6
69.03431	1.3
69.07084	4.2
71.31418	1.5
73.02945	0.7
77.03936	2.3
79.05490	3.5
80.86936	0.8
81.03410	1.9
81.07055	7.8
83.04982	27.3
84.05318	2.0
85.02908	0.9
85.06555	1.1
91.05489	4.8
93.07028	6.3
95.04971	10.9
95.08608	9.9
97.02898	1.2
97.06540	4.4
99.04472	1.1
103.05511	1.0
105.03393	100.0
105.04533	5.5
105.07028	7.6
106.03733	2.7
107.04952	1.7
107.08590	5.6
109.06529	2.8
109.10156	3.5
111.08085	2.0
117.07053	2.2
119.04992	1.3
119.08570	5.6
121.06508	2.6
121.10155	4.3
123.08039	2.5
123.11736	1.1
129.07036	1.7
131.08575	4.5
132.05763	1.5
133.10115	5.5
135.08099	1.9
135.11681	2.1
137.09602	1.1
138.50801	1.0
139.07582	1.1
142.07735	1.1
143.08546	3.9
145.10089	4.7
147.08052	1.6
147.11667	2.4
149.09659	1.6
155.07101	0.9
155.08554	2.5
156.09314	1.6
157.10158	5.7
159.07993	1.2
159.11708	4.2
160.52698	1.0
161.09624	2.1
161.13287	1.4
167.08586	1.2
169.10178	3.7
171.08139	1.1
171.11728	4.2
173.09586	1.5
173.13264	3.1
175.11185	1.4
175.14833	1.0
179.08487	1.4
179.10745	1.7
181.10074	1.4
183.11754	2.8
185.09642	1.3
185.13228	2.4
187.11211	2.2
187.14851	1.6
191.08667	1.0
191.10672	0.9
193.10069	1.5
195.11737	2.6
197.13307	2.7
199.14854	1.2
207.10202	2.9
207.11836	1.8
209.13358	2.5
213.12749	1.1
221.13170	1.6
223.14709	1.6
225.09035	1.2
227.06902	1.4
235.07574	1.0
237.09081	1.1
239.03641	0.9
239.06941	1.0
239.17908	1.0
245.15372	1.2
247.14682	1.0
250.06107	0.9
251.07008	2.2
253.08566	1.5
253.15843	1.1
263.07028	1.3
265.04770	1.0
265.08496	1.8
267.10013	1.1
275.06985	1.7
277.08563	1.0
278.08774	1.0
281.08075	2.1
281.15424	1.0
283.16937	1.0
285.07404	1.2
287.07425	0.9
290.05685	2.0
291.06363	1.5
293.07959	3.7
294.08682	1.5
295.09503	3.0
296.10312	1.6
297.07544	2.8
297.18527	1.0
299.09100	1.7
303.08929	1.4
305.08078	2.3
306.19598	1.1
310.08224	1.3
311.05469	1.6
311.09000	1.5
312.09851	0.9
313.06876	1.3
315.06577	3.8
316.07156	1.8
317.08109	1.7
319.05991	1.7
324.09943	1.8
325.10547	1.4
326.11359	1.7
327.08542	3.8
327.12357	3.0
328.09283	1.6
331.05994	1.1
332.06787	1.2
333.07526	12.3
334.07925	1.8
342.10983	7.9
343.06104	3.2
343.11588	1.8
344.06787	24.1
345.07520	9.4
347.05466	18.0
347.09604	0.9
348.05896	1.9
355.11786	6.0
357.13339	1.7
359.11243	1.4
361.07025	2.7
362.07733	4.5
363.08545	2.0
367.11758	1.9
368.11789	1.3
369.13239	2.2
377.10184	89.8
378.10544	10.9
381.12766	0.9
399.13971	2.6
403.26163	5.2
419.29248	1.5
423.25403	1.1
445.27316	1.4
457.18381	1.1
463.28036	4.6
464.28799	1.2
465.30322	2.3
469.12463	1.1
481.29208	2.7
499.13773	11.2
499.19580	1.8
499.30774	3.6
499.37656	1.6
500.13998	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.2
55.05507	22.4
57.39137	7.4
67.05498	31.4
69.07067	16.1
69.21294	17.5
69.21704	46.2
77.07793	8.5
77.93153	8.0
79.05492	29.8
81.07043	55.3
83.04968	24.3
91.05474	40.1
93.07028	63.0
95.04969	10.3
95.08609	100.0
98.45094	7.3
105.07025	50.5
107.08597	41.0
109.02885	11.4
109.06516	82.7
109.10164	39.2
111.04432	16.9
111.08057	13.3
117.07057	17.7
119.08594	58.0
121.06515	14.5
121.10132	35.6
123.08093	13.9
123.11715	9.5
129.06976	18.4
131.08546	26.6
133.10100	41.3
135.08080	19.5
135.11716	20.1
137.05966	28.6
137.09642	12.6
139.07469	9.5
142.07794	19.1
143.08543	28.8
145.06483	11.9
145.10118	59.3
147.08028	27.6
147.11668	33.1
149.09708	8.7
155.07033	34.6
155.08517	17.1
155.63281	8.1
157.10120	43.1
159.08095	10.1
159.11697	30.3
161.09584	20.2
161.13254	15.3
167.08632	11.1
169.10185	24.7
171.08078	17.6
171.11725	30.0
173.09622	11.8
173.13222	15.8
179.08487	9.1
183.11690	16.2
185.09651	15.4
185.13249	36.5
189.12709	16.9
195.11731	9.7
197.13300	14.3
199.11186	17.7
199.14908	12.8
201.12698	13.8
209.13210	11.8
211.14873	12.1
213.12782	38.1
215.14268	12.7
217.12144	9.5
226.57730	10.1
227.14308	23.3
231.13902	15.7
233.15332	12.8
239.14148	11.0
245.15382	16.5
247.15076	8.9
257.15518	11.5
271.16995	12.6
281.39764	8.0
309.22305	10.1
322.13934	8.9
325.21536	15.9
327.23087	24.6
328.23621	10.2
343.22513	11.4
427.26389	13.4
445.27567	19.6
446.27661	13.4
463.28174	29.4
464.28888	19.1
481.29648	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.3
55.01871	4.8
55.05512	20.2
57.03431	2.9
67.05505	11.0
69.03438	3.5
69.07085	11.5
70.05490	4.2
71.04991	21.6
73.02921	2.3
75.23046	1.7
79.05478	11.3
79.73812	1.6
81.03455	1.8
81.07067	22.1
83.01349	4.2
83.04984	92.2
83.08624	5.8
85.02893	5.2
85.06548	4.2
91.05478	13.4
93.07045	19.6
95.04972	7.1
95.08602	23.5
95.09147	2.4
97.02880	1.8
97.06544	5.3
97.10168	3.5
99.04457	31.7
99.08107	3.9
101.06043	3.0
105.07037	26.2
107.08598	23.2
109.06530	17.5
109.10168	12.4
111.08101	10.6
113.06001	1.8
115.07613	3.0
117.05518	6.1
117.07007	10.1
119.08573	30.0
120.08098	2.4
121.06522	3.7
121.10136	16.7
123.08070	5.0
123.11713	3.9
125.09653	4.0
127.03922	34.9
127.04777	2.7
127.07536	10.3
128.06232	4.1
129.07018	5.1
129.09129	5.0
131.08585	16.7
133.06485	2.8
133.10141	17.3
135.08075	4.0
135.11754	8.2
137.06009	3.7
137.09642	4.6
141.06998	3.8
142.07782	5.8
143.08563	20.5
144.09340	2.2
145.04987	12.7
145.06529	2.4
145.10126	24.8
147.08057	4.5
147.11694	10.8
149.09651	4.0
149.13202	2.0
151.07588	2.1
153.05484	3.1
155.07239	3.8
155.08591	13.6
156.09381	6.1
157.10120	26.8
159.08069	3.4
159.11719	20.6
161.09615	3.1
161.13286	6.8
163.07553	3.8
163.11223	4.5
165.05650	1.9
165.09157	3.8
167.08578	4.0
168.09378	4.9
169.10146	24.4
170.10873	4.0
171.11673	18.7
173.08142	16.2
173.09663	5.1
173.13255	9.4
175.07603	6.8
175.11220	4.0
177.09143	4.8
179.08560	2.8
179.10794	2.4
181.10153	8.7
181.12321	2.0
182.10934	4.2
183.11690	15.4
184.12383	2.9
185.09662	7.4
185.13278	15.6
187.11211	5.1
187.14825	3.7
189.12747	3.0
191.10699	5.0
193.10274	4.5
193.12135	2.4
194.10876	1.9
195.11713	12.5
196.12425	3.2
197.09648	4.2
197.13254	12.5
198.14099	2.0
199.11200	6.3
199.14882	6.3
201.09209	2.7
201.12897	3.5
203.10710	2.0
205.12202	4.5
207.11787	6.7
209.13287	14.6
210.14038	1.9
211.11250	6.8
211.14796	17.5
212.15225	2.3
213.12773	3.9
213.16298	4.1
214.29985	1.9
215.10751	6.9
215.14391	5.1
219.13730	8.8
221.13326	6.1
223.11301	2.1
223.14812	8.7
225.12831	4.9
225.16467	7.6
227.10829	2.1
227.14391	3.1
229.12315	4.9
231.13866	3.6
233.13266	3.8
233.15414	3.5
235.14859	5.1
237.12860	3.3
237.16364	2.4
239.14302	4.7
239.17934	2.7
241.12286	2.4
241.16011	2.2
243.14066	3.3
245.15453	7.1
249.16428	3.8
251.14325	3.0
251.18118	3.7
253.15906	4.2
253.19725	2.4
255.13797	2.9
257.15497	5.7
259.17126	3.5
263.18036	3.2
265.15891	4.5
267.17535	3.2
267.21216	2.3
269.15231	10.9
271.16949	21.8
273.18649	3.4
283.17142	3.7
285.18619	6.4
291.21100	2.4
295.20706	2.8
297.18582	3.7
299.20419	2.4
307.20563	4.3
309.22284	4.8
311.20099	2.7
323.20288	2.1
325.21567	13.1
327.23221	32.0
337.25375	3.8
355.26379	10.5
417.27927	4.0
435.29010	7.3
437.30515	5.0
453.30319	5.0
455.31720	3.1
463.28882	3.6
481.29611	11.8
499.22195	4.8
499.30573	100.0
500.30890	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.1
55.01871	8.4
55.05510	26.8
55.58244	2.3
57.03427	5.0
57.07079	3.0
59.04996	3.7
65.03953	3.5
67.05504	27.9
69.03430	7.6
69.07062	25.1
70.07433	3.2
71.04992	19.6
79.05503	28.4
80.18222	2.3
81.03409	5.3
81.07057	66.7
83.04977	58.1
83.05464	4.3
83.08614	8.6
85.02910	8.9
85.06554	7.6
91.05472	34.8
93.07047	41.6
95.04980	10.5
95.08603	46.1
96.08953	2.5
97.02903	3.8
97.06490	12.1
97.10169	4.6
98.97606	3.8
99.04459	23.8
99.08108	5.7
101.06010	4.9
105.07025	59.3
107.04949	3.0
107.08593	54.6
109.06522	64.6
109.10160	27.4
109.10832	4.2
111.04477	4.5
111.08064	17.0
111.11700	2.6
113.02394	3.4
113.06010	2.6
115.05499	5.6
115.07555	2.5
116.06203	4.2
117.05504	3.7
117.07063	14.3
119.08579	66.2
120.08060	2.3
120.08918	2.7
121.06532	9.5
121.10142	40.8
123.08054	15.5
123.11707	7.6
125.09624	7.3
127.03896	11.8
127.07549	20.9
128.06206	7.5
129.07018	16.9
129.09105	5.4
129.12788	2.8
131.08568	34.6
133.06512	5.0
133.10132	32.6
135.08031	13.0
135.11687	14.1
137.05983	35.7
137.09639	8.8
139.07504	3.4
141.05487	3.7
141.07036	9.2
142.07799	11.4
143.08548	32.1
144.09288	3.9
145.06503	5.4
145.10124	53.0
147.08044	29.0
147.11681	21.6
149.09610	11.7
149.13232	3.7
151.11215	4.1
153.05528	4.6
153.06982	4.1
154.07845	2.8
155.07141	5.8
155.08586	27.6
156.09341	8.4
156.47638	2.5
157.10121	54.0
158.10858	3.2
159.08090	9.7
159.11699	46.1
161.08463	3.6
161.09560	15.0
161.13237	14.0
163.07616	5.5
163.11203	8.5
165.07024	8.1
165.09131	5.4
167.08614	9.8
167.10713	4.0
168.09372	5.9
169.10117	51.4
170.10904	9.4
171.08009	4.0
171.11700	41.8
173.08154	10.7
173.09689	10.6
173.13284	17.5
175.07675	2.8
175.11244	6.8
175.14821	3.9
177.09132	8.1
177.12860	4.6
179.08618	8.6
179.10822	6.5
180.09352	4.9
181.10144	15.3
181.12206	4.9
182.10869	4.5
183.08160	3.8
183.11693	44.0
184.12442	4.4
185.09590	12.0
185.13251	21.2
187.11224	8.2
187.14853	9.7
189.12766	5.6
191.09030	3.0
191.10710	11.4
193.10187	14.2
193.12445	3.1
194.10918	6.7
195.11665	26.3
195.13091	2.5
196.12450	8.4
197.09666	9.7
197.13260	24.4
198.14001	6.1
199.11185	15.0
199.14755	15.3
201.12746	8.4
201.16438	4.9
203.08731	2.6
203.10719	2.8
203.14374	3.6
205.12320	8.6
206.10789	3.4
207.11714	13.6
208.12521	6.2
209.13260	34.5
210.13965	4.9
211.11275	14.2
211.14825	31.4
212.15260	3.2
213.12793	6.9
213.16360	11.6
215.10669	7.9
215.14423	4.1
217.10237	2.8
217.12299	5.4
219.13683	13.4
221.13277	15.6
222.14005	4.6
223.11237	6.6
223.14825	28.4
225.09308	4.5
225.11240	10.6
225.12819	9.4
225.16420	10.5
227.10716	7.4
227.14365	5.6
228.11508	3.6
229.12358	13.2
231.13907	4.6
233.09639	2.9
233.13307	6.0
233.15350	5.5
235.11154	5.0
235.14850	6.1
237.12830	5.3
237.16345	11.7
239.14313	5.9
239.18047	6.0
241.12294	4.9
241.15892	5.5
243.13806	6.2
245.15474	7.9
247.14780	5.2
247.16942	6.8
249.12860	3.1
249.16466	8.1
251.14316	7.4
251.17891	3.6
253.15897	9.0
253.19545	4.5
255.13914	5.1
257.15442	7.0
259.17050	8.7
261.18649	8.2
263.17899	5.3
265.15924	8.5
265.19540	7.8
267.13696	3.2
267.17563	4.7
267.20917	3.1
269.15366	14.2
271.16949	36.0
273.18765	5.0
277.19452	3.0
279.17239	3.1
281.15350	2.7
283.16971	8.1
285.18533	10.8
287.20227	4.2
291.21136	6.3
295.20660	5.5
297.18533	8.0
299.20102	3.1
305.19110	6.3
307.20663	7.5
309.18863	3.6
309.22064	14.4
311.20139	4.6
319.16724	2.9
323.20221	7.2
324.20544	3.6
325.21558	23.4
327.19373	4.7
327.23178	72.6
327.26923	4.6
328.23553	3.3
337.25339	5.9
341.21252	3.2
355.26416	19.0
365.24829	9.6
382.24713	3.0
383.25903	9.3
417.27930	4.0
419.29617	3.6
435.29120	7.6
437.30612	5.5
439.20270	10.1
439.28470	3.5
445.28241	3.0
453.30203	5.1
455.32217	3.5
463.17133	3.3
463.28622	12.1
471.20184	9.5
471.30939	3.5
481.29471	32.1
499.19476	17.8
499.30536	100.0
500.30780	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.3
55.01878	3.0
55.05513	15.9
57.03435	1.1
57.07080	1.1
58.56723	0.7
59.04998	1.3
65.03940	1.4
67.05505	10.8
69.03434	1.0
69.07071	8.8
69.14438	7.1
71.05003	10.2
73.02927	2.1
77.03947	1.0
79.05489	7.8
81.07056	15.7
82.07419	1.0
83.04983	59.9
83.08619	4.4
85.02903	2.1
85.06547	4.0
87.04462	1.3
91.05473	10.6
91.18719	0.7
93.07041	16.3
95.04968	3.4
95.08610	19.1
97.02905	1.7
97.06524	4.4
97.10166	1.8
98.23370	1.7
98.97588	2.1
99.04453	19.0
99.08107	3.7
101.06047	1.7
103.03964	0.9
105.07034	17.9
106.07345	0.8
107.08592	18.7
107.09280	1.2
109.06512	10.8
109.10146	10.1
111.08084	6.0
113.06024	2.8
113.50471	0.7
115.05435	1.0
115.07539	1.2
117.05521	3.0
117.07002	7.2
119.04968	0.9
119.08581	22.2
121.06529	2.8
121.10142	16.2
123.04433	0.9
123.08067	5.0
123.11717	4.4
125.09650	2.3
126.71761	0.8
127.03919	16.4
127.07561	15.0
128.06230	2.6
129.07021	4.9
129.09103	5.2
130.07828	1.7
131.08568	11.2
133.06496	2.0
133.10115	14.1
134.10399	1.0
135.08034	1.4
135.11681	5.3
137.06020	1.1
137.09615	2.2
139.03928	0.9
139.07585	1.0
139.11151	1.0
141.05550	0.8
141.07014	3.2
141.09157	1.3
142.07776	4.9
143.08569	15.4
144.09328	1.6
145.04999	2.3
145.06532	0.9
145.10123	15.4
147.08070	1.8
147.11690	9.0
149.09656	2.5
149.13318	1.6
151.07524	1.1
151.11212	1.3
153.05499	1.2
153.09225	1.0
154.07753	1.5
155.07053	4.8
155.08577	12.8
156.09421	4.6
157.10133	22.3
158.10832	1.4
158.99707	1.4
159.06754	1.4
159.08089	3.4
159.11690	17.4
161.09642	3.7
161.13239	4.6
163.07626	2.8
163.11208	3.0
164.99167	1.0
165.07016	1.5
165.09171	2.7
166.07854	0.9
167.08624	3.1
167.10707	2.0
168.09383	1.5
169.08701	1.1
169.10132	19.2
170.10777	4.0
171.08049	1.4
171.11691	16.1
171.13086	1.3
173.08142	15.5
173.09653	3.9
173.13272	8.6
174.13823	0.8
175.07549	10.7
175.11241	2.9
175.14886	1.6
176.96808	0.7
177.00716	1.2
177.09161	2.0
177.12721	2.2
179.08578	2.9
179.10719	2.6
180.09244	0.9
181.10164	7.7
181.12248	1.6
182.10820	2.3
183.10118	0.7
183.11679	15.6
184.12325	1.5
185.08177	1.1
185.09666	5.0
185.13234	11.1
187.11253	3.0
187.14859	5.2
189.12836	2.1
189.16469	1.0
191.10661	3.8
192.09322	1.7
193.10201	4.2
194.10863	1.1
195.11736	7.6
196.12476	2.9
197.09648	2.6
197.13257	12.6
198.14061	2.4
199.11205	4.2
199.14845	6.4
201.09016	1.1
201.12840	2.2
203.10783	2.0
203.14175	0.9
205.10309	1.4
205.12268	3.6
206.10893	1.4
207.11736	6.1
207.13541	1.3
208.12471	1.4
209.09703	2.0
209.13278	12.4
210.13931	1.7
210.16286	0.9
211.09549	1.1
211.11336	5.5
211.14816	13.0
212.15543	1.0
213.12794	3.3
213.16397	3.0
215.10651	5.3
215.14377	2.3
216.99510	0.9
217.12285	2.4
218.11044	0.9
219.11823	1.7
219.13733	5.8
220.12473	1.1
221.13293	5.5
222.13895	1.1
223.11266	1.7
223.14838	9.0
225.12836	3.6
225.16312	5.7
227.10683	2.5
227.14388	2.9
227.17967	1.6
228.11414	1.8
229.12282	4.3
229.15959	1.1
231.13879	2.7
233.13341	1.8
233.15364	2.9
235.11183	1.3
235.14957	4.4
235.16957	1.1
237.12787	2.5
237.16449	3.1
239.14421	2.0
239.18086	2.8
241.12248	1.8
241.15953	2.5
243.13867	3.5
245.15497	4.2
247.14836	1.7
247.17081	1.6
248.15619	1.2
249.12787	1.2
249.16422	3.7
251.14313	3.8
251.18008	2.1
253.15919	4.2
253.19640	1.3
255.13869	2.6
255.17545	1.3
257.15378	3.9
259.16986	3.2
261.16217	1.0
261.18677	1.3
263.14343	2.0
263.17929	2.7
265.15875	3.1
265.19543	2.5
267.17526	3.7
267.21136	1.4
269.15347	10.1
269.18033	1.3
271.16953	16.3
272.17255	0.9
273.18500	1.5
277.15936	1.0
277.19580	1.5
279.17368	1.9
281.15591	1.0
281.19281	1.2
281.22403	1.2
283.16989	3.2
285.18600	4.9
287.20142	1.4
291.21173	1.7
295.17114	1.2
295.20630	2.8
295.23999	1.0
297.18488	3.4
299.20047	1.6
305.19034	1.5
307.20682	3.9
309.18753	1.5
309.22177	4.5
311.20148	1.8
312.20380	0.9
319.24115	1.1
323.19916	1.1
325.21631	12.6
327.23181	24.5
328.23657	2.2
331.19104	1.8
335.24072	0.9
337.25253	2.3
347.23584	1.3
353.25089	1.2
355.26312	6.8
356.26590	1.0
365.24875	1.5
375.26828	1.1
377.24924	1.2
391.26614	1.2
393.24246	0.9
399.26276	0.8
409.27438	1.0
417.27896	3.4
425.23901	1.0
427.26929	0.9
435.28976	6.1
437.30521	3.2
439.28857	1.3
445.27866	1.8
453.30203	4.8
455.31818	2.4
463.28537	3.8
481.29633	15.6
499.30557	100.0
500.30902	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
54.18655	1.4
55.01865	1.7
55.05510	7.6
59.04987	1.8
65.03923	2.5
67.05512	12.8
69.00525	5.4
69.00954	8.4
69.03433	5.0
69.07062	4.2
71.04995	1.5
74.37325	1.6
78.18332	1.3
79.05503	10.1
81.03430	4.1
81.07071	9.4
83.04986	16.2
83.08605	1.8
91.05486	18.6
93.07042	20.5
95.04965	5.4
95.08608	28.1
97.06536	3.3
105.07024	23.2
107.08587	12.3
109.06540	6.4
109.10178	3.8
111.04454	9.7
111.08086	9.4
115.05431	3.8
117.07036	8.2
119.08577	26.1
121.06509	7.8
121.10133	7.3
123.08104	6.8
128.06206	3.5
129.07018	6.4
130.07814	1.9
131.08575	18.6
133.06474	4.2
133.10135	18.5
135.08049	7.2
135.11655	1.9
137.05978	2.3
139.07523	8.6
141.07010	5.2
141.09108	2.1
142.07736	7.6
143.08556	17.9
144.09303	1.7
145.06450	1.9
145.10159	16.7
146.07213	1.5
147.08058	5.3
147.11690	6.8
149.06030	1.6
149.09642	4.4
153.07011	4.1
154.07776	2.9
155.08557	13.8
156.09349	5.9
157.06525	2.4
157.10127	17.9
158.07283	2.2
159.08038	9.0
159.11699	12.7
161.06084	1.5
161.09679	7.6
161.13214	3.7
163.07506	1.8
165.07028	4.4
166.07861	1.5
167.08562	3.9
168.09296	2.1
169.10147	12.4
170.10924	3.1
171.08069	9.4
171.11670	13.2
173.09659	11.6
173.13301	2.8
174.03589	1.3
175.11214	4.8
177.09085	2.0
178.07773	3.4
179.08563	7.8
180.09285	3.4
181.06497	1.8
181.10118	7.7
182.10963	4.0
183.07973	7.1
183.11685	11.7
184.54134	1.4
185.06021	1.5
185.09662	7.6
185.13286	5.2
187.11215	6.1
189.09117	3.2
189.12772	4.6
191.10678	2.0
192.09306	3.5
193.10158	9.1
194.10918	4.1
195.08060	3.3
195.11665	11.2
196.08913	1.9
197.09680	6.8
197.13297	5.7
199.11176	6.8
199.14786	2.7
201.09103	8.8
201.12772	4.1
205.10138	5.4
205.12077	2.5
206.10854	2.4
207.11711	10.7
208.08835	4.1
208.12431	3.2
209.09747	7.1
209.13350	8.5
210.10355	1.8
211.07637	1.5
211.11194	6.0
211.14844	4.3
213.09119	2.6
213.12726	3.6
215.10574	1.5
217.10226	2.2
217.12157	1.5
218.10889	2.0
219.11728	5.1
220.12392	1.8
221.09660	4.0
221.13237	9.7
222.10217	2.2
222.13866	2.0
223.11214	11.0
223.14799	5.0
224.11816	1.5
225.09193	11.2
225.12758	7.1
225.16286	1.7
226.13377	1.6
227.10718	5.5
227.14345	4.6
229.10239	2.4
230.10927	1.8
231.11667	3.8
232.12389	3.0
233.09598	2.8
233.13266	5.0
234.10251	2.6
235.11208	5.8
235.14847	4.9
236.11919	2.1
237.08926	1.9
237.12752	3.5
237.16408	2.5
239.10735	4.8
239.14297	4.6
241.12289	3.0
243.11765	2.6
244.12395	2.3
245.13322	7.6
245.15405	1.7
246.13943	2.1
247.11211	3.7
247.14877	5.0
248.11909	3.0
249.12778	4.5
249.16318	2.2
251.10677	7.9
251.14420	5.5
253.12247	6.5
253.15787	1.7
255.11601	2.3
257.13153	2.3
257.15479	2.4
259.14856	3.0
261.12704	3.5
261.16434	2.4
262.13205	2.2
263.14307	5.5
263.17938	2.8
265.12378	2.2
267.13873	4.1
269.15509	1.9
271.14694	2.0
273.12823	3.3
273.16241	3.1
275.14337	4.7
275.17630	1.5
277.12225	2.5
277.15884	4.9
277.19113	2.0
279.13800	2.3
279.17303	1.9
281.15555	2.2
281.19061	2.1
283.17075	1.7
285.16486	2.6
287.14267	4.0
287.17786	2.2
289.12427	2.0
289.15802	4.8
290.13086	1.8
290.16513	2.5
291.13782	5.0
291.17120	2.9
293.15372	2.2
300.15308	1.9
301.15814	2.8
303.17368	4.9
304.17871	2.6
305.15292	6.6
305.18961	4.6
306.16052	1.8
307.16840	4.1
313.15784	3.3
317.15207	1.7
319.17017	1.7
323.20032	6.6
331.16956	9.0
333.18289	3.6
341.21234	2.7
346.19263	2.7
347.20383	1.8
372.07178	1.4
385.17560	1.7
387.19406	2.6
399.23093	5.7
401.24777	2.3
403.22061	2.8
403.26520	5.3
405.19974	1.9
409.21634	4.1
417.24054	9.5
419.25964	1.6
427.22598	14.3
428.23071	1.9
435.25220	4.0
445.23608	100.0
446.23975	13.3
463.24673	26.3
463.29263	8.6
464.24911	3.2
481.24213	2.2
481.29990	2.6
499.26678	16.2
500.27032	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3058
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
53.03947	2.9
54.18655	1.4
55.01865	1.7
55.05510	7.6
59.04987	1.8
65.03923	2.5
67.05512	12.8
69.00525	5.4
69.00954	8.4
69.03433	5.0
69.07062	4.2
71.04995	1.5
74.37325	1.6
78.18332	1.3
79.05503	10.1
81.03430	4.1
81.07071	9.4
83.04986	16.2
83.08605	1.8
91.05486	18.6
93.07042	20.5
95.04965	5.4
95.08608	28.1
97.06536	3.3
105.07024	23.2
107.08587	12.3
109.06540	6.4
109.10178	3.8
111.04454	9.7
111.08086	9.4
115.05431	3.8
117.07036	8.2
119.08577	26.1
121.06509	7.8
121.10133	7.3
123.08104	6.8
128.06206	3.5
129.07018	6.4
130.07814	1.9
131.08575	18.6
133.06474	4.2
133.10135	18.5
135.08049	7.2
135.11655	1.9
137.05978	2.3
139.07523	8.6
141.07010	5.2
141.09108	2.1
142.07736	7.6
143.08556	17.9
144.09303	1.7
145.06450	1.9
145.10159	16.7
146.07213	1.5
147.08058	5.3
147.11690	6.8
149.06030	1.6
149.09642	4.4
153.07011	4.1
154.07776	2.9
155.08557	13.8
156.09349	5.9
157.06525	2.4
157.10127	17.9
158.07283	2.2
159.08038	9.0
159.11699	12.7
161.06084	1.5
161.09679	7.6
161.13214	3.7
163.07506	1.8
165.07028	4.4
166.07861	1.5
167.08562	3.9
168.09296	2.1
169.10147	12.4
170.10924	3.1
171.08069	9.4
171.11670	13.2
173.09659	11.6
173.13301	2.8
174.03589	1.3
175.11214	4.8
177.09085	2.0
178.07773	3.4
179.08563	7.8
180.09285	3.4
181.06497	1.8
181.10118	7.7
182.10963	4.0
183.07973	7.1
183.11685	11.7
184.54134	1.4
185.06021	1.5
185.09662	7.6
185.13286	5.2
187.11215	6.1
189.09117	3.2
189.12772	4.6
191.10678	2.0
192.09306	3.5
193.10158	9.1
194.10918	4.1
195.08060	3.3
195.11665	11.2
196.08913	1.9
197.09680	6.8
197.13297	5.7
199.11176	6.8
199.14786	2.7
201.09103	8.8
201.12772	4.1
205.10138	5.4
205.12077	2.5
206.10854	2.4
207.11711	10.7
208.08835	4.1
208.12431	3.2
209.09747	7.1
209.13350	8.5
210.10355	1.8
211.07637	1.5
211.11194	6.0
211.14844	4.3
213.09119	2.6
213.12726	3.6
215.10574	1.5
217.10226	2.2
217.12157	1.5
218.10889	2.0
219.11728	5.1
220.12392	1.8
221.09660	4.0
221.13237	9.7
222.10217	2.2
222.13866	2.0
223.11214	11.0
223.14799	5.0
224.11816	1.5
225.09193	11.2
225.12758	7.1
225.16286	1.7
226.13377	1.6
227.10718	5.5
227.14345	4.6
229.10239	2.4
230.10927	1.8
231.11667	3.8
232.12389	3.0
233.09598	2.8
233.13266	5.0
234.10251	2.6
235.11208	5.8
235.14847	4.9
236.11919	2.1
237.08926	1.9
237.12752	3.5
237.16408	2.5
239.10735	4.8
239.14297	4.6
241.12289	3.0
243.11765	2.6
244.12395	2.3
245.13322	7.6
245.15405	1.7
246.13943	2.1
247.11211	3.7
247.14877	5.0
248.11909	3.0
249.12778	4.5
249.16318	2.2
251.10677	7.9
251.14420	5.5
253.12247	6.5
253.15787	1.7
255.11601	2.3
257.13153	2.3
257.15479	2.4
259.14856	3.0
261.12704	3.5
261.16434	2.4
262.13205	2.2
263.14307	5.5
263.17938	2.8
265.12378	2.2
267.13873	4.1
269.15509	1.9
271.14694	2.0
273.12823	3.3
273.16241	3.1
275.14337	4.7
275.17630	1.5
277.12225	2.5
277.15884	4.9
277.19113	2.0
279.13800	2.3
279.17303	1.9
281.15555	2.2
281.19061	2.1
283.17075	1.7
285.16486	2.6
287.14267	4.0
287.17786	2.2
289.12427	2.0
289.15802	4.8
290.13086	1.8
290.16513	2.5
291.13782	5.0
291.17120	2.9
293.15372	2.2
300.15308	1.9
301.15814	2.8
303.17368	4.9
304.17871	2.6
305.15292	6.6
305.18961	4.6
306.16052	1.8
307.16840	4.1
313.15784	3.3
317.15207	1.7
319.17017	1.7
323.20032	6.6
331.16956	9.0
333.18289	3.6
341.21234	2.7
346.19263	2.7
347.20383	1.8
372.07178	1.4
385.17560	1.7
387.19406	2.6
399.23093	5.7
401.24777	2.3
403.22061	2.8
403.26520	5.3
405.19974	1.9
409.21634	4.1
417.24054	9.5
419.25964	1.6
427.22598	14.3
428.23071	1.9
435.25220	4.0
445.23608	100.0
446.23975	13.3
463.24673	26.3
463.29263	8.6
464.24911	3.2
481.24213	2.2
481.29990	2.6
499.26678	16.2
500.27032	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3419
Annotation	CHEBI:69006
Peak:m/z	Relative Intensity
55.05513	23.7
64.69322	3.6
67.05506	35.0
69.07074	21.7
70.19482	8.8
70.19811	6.3
73.06562	5.0
79.05485	15.9
81.07054	30.1
83.04948	5.6
83.08614	5.8
91.05486	18.5
93.07042	34.8
95.04965	5.1
95.08054	5.9
95.08613	100.0
97.06540	4.6
97.10149	5.4
105.07018	29.7
107.08598	44.7
109.10155	16.7
115.07572	10.0
117.07028	7.2
119.08575	23.7
121.10150	33.9
123.08104	12.1
123.11703	6.1
129.07047	4.1
131.08583	20.4
133.10136	21.5
135.11729	10.2
137.09618	7.3
141.08994	5.6
142.07770	5.6
143.08575	15.0
145.10150	25.5
147.11703	14.0
149.09630	6.4
149.13208	4.6
155.08569	4.2
157.10127	17.7
159.11679	38.4
161.09624	10.0
161.13264	9.1
163.14813	17.5
165.12730	5.4
169.10086	11.0
171.11717	18.3
173.09627	5.6
173.13269	28.2
175.11188	13.2
175.14851	5.2
181.12288	7.0
183.11716	15.0
185.13280	18.0
187.11188	5.0
187.14796	10.0
189.12750	5.5
191.14412	6.6
195.11655	5.8
197.13246	10.2
199.11133	7.3
199.14845	6.4
201.12744	7.8
201.16418	4.6
205.12280	3.9
211.14777	9.3
213.12646	6.1
213.16370	7.5
219.13780	9.5
225.16417	7.9
227.14319	8.2
227.17848	6.9
229.15900	5.6
235.14807	4.9
235.16953	5.4
247.16824	5.5
251.18071	5.3
269.18942	7.3
285.18555	7.6
287.19907	6.0
297.18600	5.6
299.20160	10.3
301.21616	9.4
339.23077	6.2
353.24738	8.7
367.26016	5.2
403.29767	6.8
421.31268	9.5
431.29352	12.3
435.32761	4.5
449.30377	9.6
453.33704	32.9
481.33136	63.3
499.34259	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3413
Annotation	Sootepin A
Peak:m/z	Relative Intensity
55.05514	30.3
57.07066	3.8
59.05014	3.6
63.91381	3.1
65.18296	3.1
67.05505	28.5
69.03420	9.3
69.07072	31.1
71.08640	4.2
71.33352	5.7
73.06532	8.1
79.05495	31.7
81.07054	65.3
81.81192	3.3
83.04968	7.6
83.08624	17.4
85.02901	4.0
89.06041	4.3
91.05469	22.3
93.07047	48.4
95.04950	3.8
95.08604	58.8
97.06536	5.2
97.10146	20.4
102.25352	3.5
105.07022	47.6
105.80862	4.0
107.08588	68.7
109.06508	15.6
109.10143	40.2
111.08096	4.1
113.02348	5.9
115.07550	14.1
117.07020	7.5
119.08572	60.8
121.06516	6.2
121.10142	100.0
123.08033	10.9
123.11713	12.0
125.09619	12.9
129.07025	5.4
129.09105	10.6
131.08507	17.7
133.10123	69.3
135.08055	8.3
135.11684	45.7
137.05991	46.8
137.13249	10.4
142.07780	8.4
143.08566	16.1
143.10684	3.8
145.10118	31.4
147.08009	7.6
147.11659	32.3
149.09610	8.5
149.13240	10.8
155.07101	4.3
155.08511	8.0
157.10161	26.2
157.12230	22.0
159.08023	4.6
159.11720	27.4
161.09576	17.2
161.13240	18.5
163.11197	10.8
163.14801	10.9
169.10068	11.0
171.08057	3.9
171.11688	17.8
173.09647	6.9
173.13239	23.7
175.11177	15.4
175.14842	20.9
177.12807	5.2
177.16354	6.4
181.10152	4.6
181.12263	8.7
183.11684	8.5
185.09494	4.1
185.13268	11.5
187.11128	4.6
187.14803	16.5
189.12717	6.8
189.16408	12.9
193.12199	4.6
195.11751	8.2
195.13701	3.8
197.13301	9.1
199.14799	15.6
201.12761	8.7
201.16385	9.9
203.14334	4.7
203.17993	4.6
205.12270	4.0
209.13336	6.4
209.15297	5.4
211.14760	6.9
213.12773	9.1
213.16257	8.6
215.14275	5.0
215.17982	14.7
217.12193	5.9
217.15862	9.7
219.13773	3.9
225.12747	4.5
225.16454	4.9
229.19453	4.7
231.13805	14.0
231.17349	5.5
237.18436	8.3
239.17928	4.7
241.15929	3.8
241.19522	7.3
242.59433	4.2
243.13737	5.0
245.15340	7.0
249.18515	13.9
251.20125	4.3
263.20074	14.0
267.20953	3.9
275.20145	4.8
287.20184	5.4
339.26938	10.8
348.68704	3.9
371.29501	45.3
372.29663	4.5
395.29440	8.7
421.30939	6.6
425.30255	6.0
431.29254	13.9
449.30438	31.7
453.33630	7.2
467.31421	7.2
481.33008	16.6
499.35202	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09435	4.3
55.05290	4.6
55.05516	39.7
65.18449	4.9
67.05505	48.9
69.07066	22.2
72.03571	4.4
73.06546	9.5
76.77943	4.9
79.05486	17.8
81.07050	42.7
83.04965	11.6
83.08611	9.4
85.06527	8.6
91.05480	23.5
93.07056	35.3
95.04952	7.9
95.08611	100.0
97.06463	4.9
97.10168	9.6
105.07043	36.2
107.08602	40.4
109.06532	6.8
109.10136	27.3
111.08073	6.2
115.07545	22.9
117.06990	7.8
119.08606	43.2
121.10121	36.3
121.26973	4.6
123.08070	20.3
123.11704	15.1
125.09602	5.2
131.08586	24.1
133.10132	28.3
135.08040	8.7
135.11693	14.9
139.63971	4.9
141.09088	10.9
143.08542	26.1
145.10112	33.1
147.11671	20.6
155.08568	9.7
157.10112	30.1
159.08060	4.8
159.11732	36.5
161.09602	9.1
161.13289	11.5
163.14825	16.4
169.10107	14.8
170.10846	5.6
171.11667	26.1
173.09502	5.1
173.13292	17.7
181.10161	8.9
183.11716	19.2
185.13257	20.4
187.11115	8.2
187.14737	12.1
195.11732	7.2
195.13715	5.4
197.13228	21.9
199.11177	7.6
199.14804	14.2
201.12704	5.9
207.11678	7.3
209.13228	10.5
211.11497	5.8
211.14888	10.3
213.12798	6.4
213.16371	9.1
215.14407	6.9
220.12338	5.6
221.15364	6.6
225.16348	9.3
227.14307	8.0
233.15468	8.9
237.16280	8.9
239.14311	6.6
239.17924	5.2
241.15855	5.7
253.15846	10.5
253.19383	6.7
255.17523	9.8
265.19482	5.0
279.20966	6.0
285.18509	7.2
291.21219	5.6
299.19849	6.3
301.21909	5.1
327.23087	5.8
341.24817	7.6
387.25238	6.7
431.29214	7.8
432.29648	8.7
449.30612	11.4
451.31631	8.3
453.33575	20.1
468.31738	6.2
469.33026	41.6
481.33398	42.7
499.34079	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.9
55.05515	11.7
59.13403	1.3
65.03970	1.9
67.05507	26.2
68.75366	1.4
69.03427	3.8
69.07066	16.4
69.20168	4.7
69.20590	8.7
73.06573	1.5
79.05504	13.6
81.07056	22.9
82.19284	1.6
83.04985	3.9
83.08625	6.9
85.06511	1.4
91.05479	15.0
93.07051	31.4
95.04974	6.3
95.08611	52.6
97.06530	6.9
97.10160	6.1
103.38972	1.4
105.07037	29.6
107.04925	3.2
107.08597	43.6
107.09284	3.5
109.06500	5.7
109.10161	18.7
111.08090	4.7
113.06013	2.1
115.07512	2.4
117.07014	3.6
119.04943	6.4
119.07769	3.2
119.08582	41.8
121.06479	9.8
121.10152	26.2
123.08072	100.0
123.11708	5.5
124.08363	2.3
125.06004	2.6
125.09638	5.4
129.07018	3.6
129.09131	3.5
131.08568	12.7
133.06487	6.1
133.10130	28.7
135.08057	23.3
135.11691	6.7
137.09627	6.6
139.07513	2.0
141.09071	2.2
142.07800	2.7
143.08582	6.5
145.06361	1.8
145.10132	23.6
147.08076	8.0
147.11681	14.9
149.09618	6.5
149.13091	1.7
151.07521	2.7
153.09114	8.2
156.09305	1.7
157.10150	8.3
157.12256	4.4
158.10989	2.2
159.08051	3.2
159.11714	18.4
161.05945	2.8
161.09645	23.8
161.13278	14.6
162.10262	1.6
163.07526	3.8
163.11197	7.2
163.14926	2.2
165.09138	7.1
167.08542	2.3
167.10695	9.7
169.10201	4.1
170.11002	2.6
171.11737	7.9
173.09601	3.4
173.13280	6.1
175.11201	7.0
175.14807	7.4
176.12099	1.8
177.09203	2.2
181.10123	2.8
183.11755	4.1
185.13278	10.1
187.11240	4.3
187.14796	8.7
189.09158	3.5
189.12766	6.3
189.16441	3.9
193.08553	5.4
195.10170	6.3
197.13333	4.3
199.14819	4.7
201.12744	4.9
201.16389	2.7
203.14363	10.1
205.15942	12.9
209.13284	3.8
211.14815	4.9
213.12794	2.9
213.16460	2.0
215.14372	6.2
217.12361	1.9
217.15891	5.9
221.15329	4.2
223.14876	2.1
225.16301	2.4
227.14238	2.7
231.13788	14.7
233.15358	32.9
235.16876	3.9
237.18532	4.9
239.14348	2.3
245.15401	8.5
263.16464	6.9
265.18011	7.1
283.16965	3.0
307.20682	1.9
307.35977	1.4
339.23117	5.1
351.23325	2.1
357.24228	6.2
359.50354	1.7
379.22369	2.3
411.25082	2.9
421.31155	16.7
429.26535	5.1
431.29156	3.2
439.32086	6.4
449.30380	10.8
453.33481	3.7
467.31601	14.4
481.33148	2.2
499.34119	38.7
521.85675	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.376
Annotation	Argenteanone D
Peak:m/z	Relative Intensity
55.05509	1.7
59.04993	0.9
67.05508	1.7
69.03414	0.6
69.07066	0.7
71.31451	0.6
79.05498	0.7
81.07068	2.5
83.04980	1.9
91.05471	1.0
93.07067	3.2
95.08618	3.6
105.07045	2.1
107.08606	2.1
109.10152	1.2
119.08573	2.8
121.10114	0.9
123.08083	1.4
131.08598	1.7
133.10155	1.6
135.11707	0.9
136.45667	0.5
143.08582	0.7
145.10123	1.6
147.04343	0.5
147.08032	0.8
147.11711	0.9
157.10191	1.1
159.11711	1.7
161.09561	0.6
161.13295	1.1
169.10135	0.8
171.11729	1.4
173.13304	0.8
183.11732	0.6
185.13263	0.7
209.11469	4.6
213.12761	0.6
293.08228	0.8
311.09485	0.7
327.08612	0.6
342.11066	0.8
355.11841	1.3
359.26077	0.7
499.37637	100.0
500.38034	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.8
53.03949	4.6
55.01888	2.4
55.05510	16.5
55.80298	1.2
57.07084	5.8
59.05006	2.2
65.03947	2.9
67.05503	36.9
67.48478	1.1
69.03419	1.2
69.07069	24.4
69.07792	9.6
69.95924	1.0
71.04995	3.0
71.08627	1.2
73.06543	1.7
73.43068	1.0
78.08907	1.1
79.05491	31.4
81.03415	2.2
81.07056	57.9
83.04985	2.6
83.08615	10.7
85.06535	2.3
91.05478	28.8
92.40838	1.0
93.07041	75.4
94.07367	1.5
95.04956	13.0
95.08607	100.0
96.08958	2.2
97.06513	7.0
97.10184	4.3
98.23400	2.3
99.08125	2.9
105.04559	1.6
105.07028	53.7
106.07327	1.4
107.08591	82.3
108.08900	2.1
109.06529	6.1
109.10160	46.7
109.10921	2.3
111.08069	7.7
113.06013	3.6
115.05485	1.3
115.07587	1.8
117.07039	8.1
119.06078	1.8
119.08582	66.4
120.08907	1.4
121.06519	8.2
121.10142	65.2
123.08074	13.8
123.11707	22.3
125.09618	5.3
127.06754	1.2
127.07547	6.1
129.07056	2.3
129.09111	3.1
130.07820	3.0
131.08582	16.1
133.06471	3.2
133.10129	49.7
135.08058	13.8
135.11694	36.6
137.09634	3.6
137.13257	4.2
139.11163	1.7
141.09135	1.6
142.07747	2.5
143.08572	8.9
143.10678	3.4
144.09393	2.1
145.10118	28.4
147.08063	7.6
147.11687	35.7
149.09627	11.7
149.13263	18.6
151.11128	2.4
151.14824	1.3
153.09099	5.9
153.12735	1.4
155.08572	2.4
155.10634	7.7
156.09364	1.9
157.10124	9.4
158.07394	1.5
158.10785	1.4
159.08069	4.1
159.11684	27.1
159.12985	1.6
160.12022	1.4
161.09622	14.9
161.13251	46.1
162.13618	1.4
163.11191	14.5
163.14815	7.1
165.12767	1.4
167.10657	6.3
169.10136	2.9
171.11714	8.9
173.09637	4.8
173.13251	26.2
175.11191	20.5
175.14803	21.3
177.12711	6.5
177.16415	3.7
179.10687	3.3
179.14343	2.6
181.12294	6.5
183.11714	3.4
185.13301	5.4
187.11238	3.6
187.14809	13.1
189.12750	8.2
189.16365	18.2
191.14316	3.6
191.17903	1.8
193.12228	2.6
193.15942	2.9
195.12085	1.9
195.13805	15.5
197.13303	2.7
199.14780	5.3
201.12755	4.0
201.16380	14.0
203.14304	7.6
203.17897	5.5
205.15895	2.3
207.13815	1.9
209.13466	1.6
209.15385	4.3
211.14885	4.1
213.16438	3.7
215.14268	6.7
215.18007	5.4
217.15895	11.9
217.19489	1.9
219.17468	4.1
221.15376	2.5
223.15012	1.4
223.16905	6.4
225.16541	2.2
227.14485	1.1
227.17830	1.9
229.15858	10.5
229.19530	1.8
231.17525	7.1
233.15379	2.4
235.14957	1.4
235.16840	6.3
237.18396	6.0
238.44177	1.1
243.17517	3.3
243.21001	1.6
247.16936	5.3
249.18492	15.7
251.20064	3.3
257.19159	1.4
261.18463	10.5
263.20007	9.7
271.20590	1.6
275.20065	3.7
287.20145	1.4
289.21637	1.4
337.25055	1.5
343.26410	1.9
393.27823	1.7
405.06564	1.4
407.32883	3.1
411.32645	4.3
417.31512	4.4
435.32605	9.3
439.35712	6.4
449.34018	4.1
467.35379	11.3
468.35699	1.7
499.37653	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.1
55.01857	2.1
55.05512	17.5
62.04659	2.1
65.03940	3.7
67.05505	35.5
69.06721	2.9
69.07068	25.1
71.04985	2.4
73.06564	2.5
79.05498	26.5
81.07056	65.9
82.31688	2.1
83.04987	3.6
83.08607	14.4
85.06550	4.4
86.15466	2.1
91.05479	29.6
93.07045	74.0
95.04961	5.6
95.08606	100.0
97.06538	7.6
97.10165	6.5
99.04472	2.6
105.06347	1.7
105.07023	61.0
107.08598	84.6
108.95880	2.8
109.06483	5.8
109.10152	44.5
111.08074	6.4
115.07550	3.4
117.07021	9.8
119.08583	80.7
119.09454	4.2
121.06500	5.4
121.10144	68.2
121.11014	4.0
123.08083	10.6
123.11710	25.0
125.09670	3.1
127.07524	4.2
129.07002	5.1
131.08594	23.6
133.10129	60.8
133.53293	2.1
133.61159	2.2
135.08052	12.1
135.11700	39.8
137.09581	5.9
137.13269	6.6
142.07762	3.6
143.08568	14.4
144.09346	3.4
145.10114	48.0
146.07224	2.0
147.08057	7.7
147.11684	56.1
149.09628	10.2
149.13237	18.9
151.11153	3.3
151.14815	2.2
155.08551	4.4
156.09326	3.6
157.10120	13.7
159.08133	3.2
159.11696	43.8
161.09615	13.4
161.13249	56.9
163.11162	16.9
163.14835	9.4
167.10669	9.4
169.10144	4.8
171.11681	11.7
173.09605	4.1
173.13254	50.2
174.13632	2.3
175.11247	19.1
175.14821	32.8
177.12737	5.9
177.16435	7.3
181.12233	7.0
183.11688	3.3
185.13222	10.5
187.11217	4.6
187.14818	24.7
189.12735	6.5
189.16411	26.5
191.14253	4.6
191.17969	4.3
193.12236	5.8
195.11980	3.7
195.13828	13.8
197.13280	4.6
199.14810	8.3
201.12830	6.3
201.16399	23.5
203.14339	7.7
203.17836	4.7
207.13744	4.8
209.13525	2.7
209.15417	6.3
211.14893	4.3
213.16353	7.7
215.14351	6.0
215.17926	13.0
217.15900	15.9
217.19513	3.1
219.17511	3.2
223.16916	5.9
225.16261	3.7
229.15869	9.5
229.19547	4.3
231.17503	8.2
233.15512	4.2
235.14775	3.0
235.16940	4.4
237.18486	7.4
243.17450	6.1
249.18492	15.1
251.20168	5.9
257.18893	2.3
261.18402	10.8
261.63138	2.4
263.20081	9.1
271.20645	2.4
275.20044	5.2
337.25391	2.9
355.78186	2.3
357.27899	3.3
407.33035	5.2
411.32504	5.9
417.31299	7.3
435.32520	19.0
439.35571	16.9
449.34106	5.8
467.35300	19.6
499.37662	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.8
55.01892	1.4
56.96574	0.4
57.03435	0.7
58.19026	0.3
61.02938	0.4
65.03938	5.8
65.04282	0.4
67.05521	1.1
68.99796	0.3
69.03124	0.3
69.03428	1.8
69.53448	1.4
70.06602	0.4
71.01385	0.6
71.04986	0.8
73.02944	0.4
79.59928	0.3
81.03420	5.3
81.07065	0.4
83.05055	0.3
85.02901	4.7
85.87809	0.3
91.05479	1.0
93.02816	0.5
93.03400	9.7
95.04984	0.7
97.02886	2.2
98.97593	1.1
99.04447	0.5
107.01344	0.5
109.02847	2.9
110.97616	0.5
111.04435	19.0
112.04848	0.5
119.04898	1.7
121.02892	0.3
127.03935	2.1
134.03113	0.3
137.02341	100.0
137.03398	7.8
138.02661	2.0
139.03893	54.2
140.04201	0.8
145.04919	1.8
147.04401	10.9
153.12703	1.4
153.71124	0.4
155.03383	53.7
156.03720	1.0
158.99649	0.5
165.05478	0.4
167.03392	46.7
168.03716	1.2
171.13808	0.4
182.57358	0.3
185.04460	2.3
207.03307	0.3
217.04874	0.4
219.01906	0.4
237.02858	0.6
281.06378	1.4
299.07477	1.7
309.06149	0.6
321.09525	0.8
327.07474	0.7
398.20605	0.4
441.10590	1.5
500.13547	0.4
501.19003	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.9
57.07068	3.0
68.42416	2.2
69.03430	2.7
71.12859	3.6
74.49001	2.0
81.03401	2.5
81.07068	2.6
85.02932	3.7
89.65437	2.1
91.05471	6.4
95.04978	2.3
103.05427	3.8
105.07027	2.9
107.04951	8.0
115.05476	2.4
119.04938	6.3
121.06557	2.9
123.08056	2.3
129.06999	3.3
131.04929	5.2
135.08092	2.7
137.05975	31.7
141.07024	5.2
147.04399	16.1
147.08081	2.9
151.03966	3.0
151.07512	13.3
157.06467	3.4
161.05992	18.3
161.09596	3.6
162.06667	2.9
163.07553	10.5
167.07146	2.0
175.07588	2.8
175.13353	2.8
181.08635	3.1
185.04224	20.6
189.09119	13.3
204.05835	2.8
207.10048	25.1
227.10687	3.8
249.09167	2.3
255.10085	4.6
272.10123	2.5
284.10052	2.3
285.11111	2.5
287.12799	7.6
290.10974	5.3
302.11179	2.8
311.12741	4.1
313.14325	8.6
317.08472	17.3
331.15451	11.8
338.04117	6.8
339.04868	10.6
341.23740	2.1
343.11862	3.2
344.12042	5.8
356.12216	2.7
367.13950	2.7
368.14111	4.6
386.13257	3.9
404.14157	4.2
416.14267	2.5
422.15335	2.7
434.15347	3.9
446.15735	2.6
464.16074	2.2
500.23105	10.3
501.09897	100.0
501.18741	30.5
501.23071	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93732	0.3
55.01871	0.3
65.03937	0.6
67.05510	0.4
68.12702	0.2
69.03423	0.5
69.61574	0.6
69.61965	0.5
70.06570	0.4
71.04988	0.4
79.05511	0.4
81.07017	0.3
83.05015	0.4
85.02911	1.6
88.53979	0.3
91.05476	0.5
94.04192	1.6
95.04984	0.5
97.02898	0.5
99.00815	0.3
103.05487	0.4
105.06376	0.5
105.07040	6.8
107.04948	0.6
107.88899	0.2
108.39857	0.2
109.06463	0.3
111.04455	1.2
113.05985	0.3
122.03654	4.1
122.09667	3.2
135.04460	0.4
137.02440	2.4
137.05984	100.0
138.06320	2.5
139.03908	1.2
142.37576	0.3
147.04408	1.1
149.05978	0.7
150.85106	0.3
151.07520	0.5
152.24223	0.3
153.07001	0.6
155.03490	1.3
155.04625	0.3
163.03906	1.4
164.04306	0.5
167.03424	1.2
179.07062	0.7
181.06509	1.2
184.76443	0.3
195.08113	0.3
209.06056	0.4
213.09103	0.7
225.09094	0.3
235.07561	0.3
241.08626	1.1
253.08556	0.7
263.07053	0.3
273.06100	0.7
273.11273	3.5
274.11502	0.3
285.11343	1.4
303.12280	0.8
335.09058	0.4
501.19775	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
53.81013	0.5
55.01851	1.2
57.03431	0.6
61.02919	0.6
65.03928	1.0
67.05489	0.5
68.99796	3.3
69.03437	2.3
71.00815	1.2
71.01340	0.8
81.03412	2.7
83.04980	0.6
84.02126	1.1
85.02904	7.1
87.74454	0.5
87.80724	0.5
91.05475	1.5
93.03397	1.0
95.05017	0.5
97.02890	2.1
99.04474	0.7
100.54403	0.5
103.05466	1.3
105.07051	0.5
107.04950	5.0
109.02886	5.1
111.04444	6.0
112.01590	6.0
117.07045	0.5
119.04926	1.2
121.04018	0.5
121.06503	9.7
122.07298	6.8
125.02406	0.6
127.03912	51.1
128.04289	0.6
133.06421	0.5
135.08018	1.6
137.05981	2.6
139.03900	8.1
140.04677	1.0
145.04947	1.1
147.04428	3.7
149.09618	7.0
155.03387	100.0
156.03728	2.4
159.07996	0.7
161.05977	1.1
162.07678	0.6
163.07527	6.9
164.07901	0.7
166.09929	0.5
167.10680	6.4
180.08650	1.2
181.08548	3.3
243.06290	0.5
271.09647	0.7
275.09113	1.1
317.08475	0.9
321.13315	34.3
322.13635	2.6
501.17325	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02899	0.2
65.03918	0.3
67.05502	0.4
69.03418	0.8
69.99338	0.8
79.05502	0.5
81.03404	0.4
81.07056	0.3
83.04991	0.4
85.02911	1.0
91.05468	0.6
94.04192	1.5
95.04957	0.5
97.02882	0.5
97.21521	0.2
99.00809	0.6
105.03413	0.2
105.07028	2.7
107.04946	0.6
111.04449	1.2
119.04963	0.6
121.02787	0.3
121.06565	0.3
122.03647	4.3
122.09666	1.3
129.05492	0.4
131.04895	0.3
137.02446	2.5
137.05980	100.0
138.06319	2.9
139.03909	1.5
142.96112	0.2
145.02876	0.4
145.04948	0.3
147.04440	1.4
149.06010	0.6
149.15891	0.2
151.07573	0.7
153.07001	0.9
155.03372	1.1
163.03912	1.0
164.04269	0.6
165.07030	0.3
167.03410	1.0
179.07008	1.2
181.06519	1.0
195.08119	0.3
198.06821	0.3
207.08054	0.3
213.09137	0.9
221.05968	0.3
225.09151	0.4
227.05522	0.2
233.51266	0.2
235.07552	0.5
241.08479	1.0
253.08609	0.8
263.07104	0.5
273.06296	1.0
273.11209	2.9
280.06873	0.3
281.08063	0.4
285.11237	1.4
300.89734	0.2
303.12271	1.1
355.10617	0.4
439.65927	0.2
500.13297	0.3
501.19016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.8
67.05515	6.6
69.07056	5.9
81.07047	10.7
83.04973	16.0
89.33836	4.9
91.05495	5.6
93.07056	14.5
95.08607	21.2
98.22569	10.7
101.58650	5.3
105.07044	15.2
107.08599	18.4
109.10164	8.3
111.04455	6.4
119.08595	17.9
121.10130	11.0
123.08096	8.6
123.11853	5.1
128.86272	4.7
131.08565	12.6
133.10129	15.3
135.11746	6.9
138.52791	4.4
143.08612	8.8
145.10126	18.9
147.11710	11.3
150.35101	4.4
157.10139	17.7
159.11711	22.5
161.09624	8.1
161.13304	5.3
163.54317	4.9
167.36880	4.6
169.10156	6.4
171.11688	14.7
173.09628	8.2
173.13211	7.9
175.11186	7.0
181.10202	6.3
185.13303	11.4
187.11220	10.7
189.12735	5.6
195.11736	8.5
197.13226	6.5
201.12740	10.5
209.13124	7.2
211.14674	5.0
216.18359	4.8
218.31870	4.6
219.13707	4.9
225.16339	9.0
230.09375	10.5
231.13803	11.7
235.14857	7.3
249.09258	6.8
261.09109	13.2
263.07028	8.8
263.10364	5.9
265.12054	6.7
277.08594	15.4
278.09384	13.7
279.10144	8.5
291.10110	11.1
293.08524	8.0
293.11749	29.5
294.12332	5.5
295.09561	6.4
305.07983	17.3
306.08850	6.2
307.09750	9.3
308.10294	6.4
319.09628	16.5
321.07657	9.5
321.11270	21.4
323.12897	6.8
336.09933	13.5
337.10849	17.1
351.12119	23.2
352.12967	21.9
353.13629	17.1
383.14890	100.0
429.28052	10.2
447.28900	22.1
456.95230	5.4
465.29938	32.9
483.30704	6.2
499.37802	8.1
500.37399	14.3
522.84326	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.8
67.05515	6.6
69.07056	5.9
81.07047	10.7
83.04973	16.0
89.33836	4.9
91.05495	5.6
93.07056	14.5
95.08607	21.2
98.22569	10.7
101.58650	5.3
105.07044	15.2
107.08599	18.4
109.10164	8.3
111.04455	6.4
119.08595	17.9
121.10130	11.0
123.08096	8.6
123.11853	5.1
128.86272	4.7
131.08565	12.6
133.10129	15.3
135.11746	6.9
138.52791	4.4
143.08612	8.8
145.10126	18.9
147.11710	11.3
150.35101	4.4
157.10139	17.7
159.11711	22.5
161.09624	8.1
161.13304	5.3
163.54317	4.9
167.36880	4.6
169.10156	6.4
171.11688	14.7
173.09628	8.2
173.13211	7.9
175.11186	7.0
181.10202	6.3
185.13303	11.4
187.11220	10.7
189.12735	5.6
195.11736	8.5
197.13226	6.5
201.12740	10.5
209.13124	7.2
211.14674	5.0
216.18359	4.8
218.31870	4.6
219.13707	4.9
225.16339	9.0
230.09375	10.5
231.13803	11.7
235.14857	7.3
249.09258	6.8
261.09109	13.2
263.07028	8.8
263.10364	5.9
265.12054	6.7
277.08594	15.4
278.09384	13.7
279.10144	8.5
291.10110	11.1
293.08524	8.0
293.11749	29.5
294.12332	5.5
295.09561	6.4
305.07983	17.3
306.08850	6.2
307.09750	9.3
308.10294	6.4
319.09628	16.5
321.07657	9.5
321.11270	21.4
323.12897	6.8
336.09933	13.5
337.10849	17.1
351.12119	23.2
352.12967	21.9
353.13629	17.1
383.14890	100.0
429.28052	10.2
447.28900	22.1
456.95230	5.4
465.29938	32.9
483.30704	6.2
499.37802	8.1
500.37399	14.3
522.84326	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.5
55.05512	51.9
55.64382	0.5
66.28671	0.4
67.05500	0.6
67.95490	0.5
68.90752	0.4
69.26743	3.1
69.27164	0.8
69.48503	0.4
81.07021	0.6
83.04980	100.0
84.05326	1.3
86.06699	0.4
95.08622	0.6
98.23363	0.9
122.80765	0.4
145.10181	0.5
187.81161	0.5
212.81503	0.5
280.89853	0.5
396.81946	0.6
439.21756	0.5
469.22534	0.8
501.36240	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
55.05511	18.5
57.03436	9.3
57.07061	2.2
67.05502	32.0
69.06723	1.8
69.07069	21.0
69.64731	3.4
79.05495	11.1
81.07058	35.5
83.04981	4.2
83.08615	10.8
91.05476	7.7
93.07036	10.2
95.04979	2.3
95.08606	26.8
97.06548	2.1
97.10159	5.9
98.23393	1.4
99.91417	1.0
105.03388	4.1
105.07022	5.2
106.03739	2.3
107.08572	6.2
109.06514	0.9
109.10155	11.4
111.08077	0.9
119.08593	3.9
120.96635	95.3
121.10167	4.8
123.08002	1.1
123.11694	4.3
133.10124	3.8
135.11688	2.9
137.13194	1.2
138.97673	1.6
145.10083	1.5
145.99792	5.8
147.11740	2.2
149.13287	1.8
156.97539	1.1
161.13272	1.5
164.00838	76.6
195.00323	9.1
200.01657	1.8
205.03465	1.6
263.23846	1.5
337.27344	42.3
338.27591	3.2
359.25589	14.4
439.22260	1.9
457.23239	100.0
458.23645	5.0
500.27435	33.6
501.27817	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25107	12.0
55.05515	19.3
57.90765	11.5
67.05499	18.2
69.31049	100.0
81.07080	18.6
83.04987	36.8
91.05451	21.5
93.07078	29.6
95.08603	33.5
105.07069	31.2
107.08642	28.4
109.10165	16.1
114.57514	13.2
117.07055	15.1
119.08577	37.6
121.10140	17.9
131.08554	17.6
133.10162	15.1
135.08043	16.6
137.43320	14.0
143.08533	14.4
145.10129	28.9
155.08618	18.4
157.10130	33.4
159.11737	13.5
161.09570	16.7
169.10153	18.5
171.11740	21.0
202.72775	12.8
257.52728	13.1
261.34106	15.8
401.12036	14.7
422.27505	18.0
440.28403	20.8
447.28885	44.2
465.29919	52.1
501.25629	13.5
508.62421	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
55.05514	73.1
56.05842	14.7
67.05507	21.2
67.44755	2.4
69.07067	10.7
71.05009	4.4
72.15417	2.5
73.77325	2.4
79.05496	15.4
81.07058	28.5
83.04987	100.0
83.08614	4.1
84.05328	18.6
85.06552	4.9
91.05499	15.8
93.07037	32.3
94.07390	2.5
95.05003	7.4
95.08610	53.9
96.08950	4.1
97.06532	8.7
99.04485	3.5
105.07031	29.1
107.08599	30.0
109.06531	9.0
109.10143	20.4
111.04474	3.2
111.08112	13.0
115.05473	3.7
117.07040	9.9
119.08591	30.3
121.06548	7.4
121.10136	16.4
123.08058	15.7
123.11723	5.5
125.09686	3.9
127.07631	2.8
128.06181	3.9
129.06995	7.3
131.08594	21.3
133.10139	25.9
135.08083	9.0
135.11702	9.4
137.09587	4.8
139.07570	9.1
141.07047	4.1
142.07809	4.3
143.08589	19.7
143.75047	2.9
145.10143	24.5
147.08081	10.2
147.11711	10.7
149.13272	3.0
155.08583	10.8
156.09312	6.8
157.10146	25.7
158.10916	3.4
159.08017	6.3
159.11650	28.2
160.12076	2.7
161.09647	10.7
161.13271	9.7
163.07529	3.4
163.11171	3.9
165.09082	2.7
167.08606	5.9
168.09373	3.4
169.10104	14.3
170.10860	3.1
171.08096	3.2
171.11655	28.8
173.09657	11.2
173.13301	11.0
175.11223	10.5
175.14832	6.3
177.09146	4.1
179.10710	3.5
181.08691	3.8
181.10144	8.2
181.12306	4.4
182.10930	3.3
183.11714	22.4
183.58644	2.5
185.09637	5.5
185.13289	24.4
187.11226	7.3
187.14865	10.2
189.12814	5.9
191.10768	3.9
194.11052	3.7
195.11649	14.8
197.09558	3.3
197.13298	14.6
199.11172	9.0
199.14868	9.3
201.12769	10.8
203.14406	5.2
205.12277	6.0
207.11674	6.1
207.13643	3.2
209.09805	3.9
209.13309	15.0
211.11188	3.3
211.14932	7.2
213.12750	12.5
215.14308	8.8
217.12332	3.8
219.13863	9.8
221.13281	10.1
221.15320	4.0
223.11337	3.0
223.14827	11.9
225.12849	7.8
225.16373	6.2
227.10652	3.0
227.14297	5.0
229.12263	6.7
229.15871	6.0
231.13860	10.4
233.13434	3.9
233.15346	14.9
235.14914	5.0
239.14244	4.4
241.15936	4.2
243.13760	5.5
245.15428	13.1
247.17130	4.6
249.16444	4.3
251.14342	5.8
257.15372	6.3
263.18188	3.5
265.15839	5.6
265.19339	4.1
267.17575	3.0
269.15424	3.6
281.18973	3.7
283.16925	6.3
285.18515	6.6
293.19000	2.9
297.18686	5.2
307.20560	6.8
323.20050	3.6
325.21619	18.6
326.22031	4.7
343.52814	3.2
351.23099	4.1
387.22964	3.7
401.28500	4.1
405.27908	9.7
409.23843	4.1
419.29428	7.7
423.29190	3.3
429.27966	18.7
439.28226	5.0
447.28973	33.9
464.27927	4.6
465.30042	72.7
466.30219	5.8
483.31070	19.3
484.31522	3.7
500.23749	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	40.2
56.05845	5.6
57.02826	3.5
67.05505	8.5
81.07040	8.5
83.04991	34.4
84.05302	9.1
91.05460	4.7
93.07069	4.3
95.08622	12.5
98.22622	7.5
98.78443	3.4
100.36731	3.2
100.75288	3.2
107.08605	4.6
119.08663	3.6
121.10175	4.8
121.67342	2.7
133.10129	3.5
144.03656	2.7
145.10107	6.2
155.08554	3.2
169.10143	4.6
171.11688	5.9
173.13347	3.2
179.08620	4.0
183.11732	4.3
187.83846	3.5
188.99870	3.1
194.06982	3.5
195.00316	43.1
195.07742	4.7
199.14778	5.2
209.13144	4.7
223.14836	3.9
224.07845	4.1
225.08939	5.7
226.05910	3.2
236.08194	4.6
237.08791	3.4
238.06209	5.2
238.09358	3.6
239.06845	5.1
240.07719	4.5
241.04945	3.6
241.08218	6.0
242.05487	4.9
249.08896	3.5
250.06114	5.3
251.06898	4.4
252.07689	4.5
253.05286	3.7
253.08261	5.0
254.09039	4.2
255.06178	4.7
256.07159	4.8
257.07700	10.0
264.07587	4.6
265.08572	10.5
266.09015	7.9
267.06427	5.6
267.10120	6.7
268.06998	4.5
268.10529	5.5
269.07822	3.4
270.08304	3.8
271.09448	3.8
280.07147	4.4
281.08026	8.8
282.08438	15.4
283.05661	4.0
283.09436	4.0
284.06735	9.6
285.07199	13.2
291.06619	4.2
293.07996	5.1
294.08450	9.0
295.09470	8.1
296.06519	7.8
296.09952	7.4
297.07495	8.9
298.07880	8.4
299.09045	11.8
300.09384	17.8
306.08606	5.3
309.10901	3.6
311.08871	11.4
312.09393	14.1
313.06921	4.1
313.10425	3.6
314.07556	5.0
314.11292	3.7
320.10220	3.5
324.09662	4.5
325.10638	8.2
326.11050	21.1
327.08621	26.0
327.11942	6.0
328.05307	5.6
328.09030	64.5
328.12717	3.4
329.09769	6.2
330.10278	4.0
336.09637	4.7
338.10822	5.3
340.12491	6.9
342.10968	40.4
343.11356	100.0
343.15445	3.2
344.12219	14.3
350.11359	4.4
351.12000	3.9
352.12619	3.3
355.11688	12.4
356.12085	29.3
357.13077	10.6
358.13736	43.8
359.11038	6.8
360.11670	18.5
366.14157	10.2
367.11603	4.5
368.11890	4.1
369.12723	5.9
370.13776	3.8
382.13647	13.4
394.13513	5.1
400.14661	6.4
408.15073	3.9
414.16104	6.0
422.16803	8.6
429.27640	3.3
447.28854	7.7
450.16589	3.3
454.19409	3.9
457.23425	19.8
465.29965	25.9
482.18677	5.4
500.27548	6.5
501.25964	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	29.8
67.05505	62.7
69.03452	8.7
69.07055	20.8
69.07841	91.1
69.24128	9.5
79.05492	34.4
81.03417	14.1
81.07044	45.2
83.04979	59.8
86.53838	7.8
91.05476	65.0
92.05831	11.4
93.07050	70.7
94.07398	9.9
95.04990	24.1
95.08620	78.8
96.08926	13.4
97.06518	15.2
99.04452	9.4
105.07036	70.0
106.07342	9.1
107.08608	82.3
109.06535	16.1
109.10175	36.6
111.04454	26.0
111.08102	19.9
117.07012	20.3
119.08596	83.1
120.08956	11.8
121.06522	24.8
121.10131	44.8
123.08072	14.9
129.06985	16.0
131.08556	49.6
133.06512	13.0
133.10138	51.6
134.10437	10.2
135.08070	12.9
135.11697	24.3
137.06020	12.2
142.07755	15.2
143.08589	46.6
145.06464	11.9
145.10162	63.2
147.08063	19.9
147.11670	49.4
149.09599	11.7
155.08588	25.8
156.09375	15.7
157.10123	63.8
159.08090	13.0
159.11710	55.2
161.09624	25.9
161.13181	11.9
163.11217	14.7
168.09433	9.3
169.10170	34.7
170.10634	8.8
171.11703	60.6
173.09634	19.0
173.13275	33.1
175.11121	11.4
180.09399	8.6
181.10121	23.5
182.10966	13.4
183.11748	42.7
184.12102	11.1
185.09648	17.0
185.13231	42.9
186.10217	10.7
187.11243	21.1
187.14812	10.5
189.12773	15.2
193.10194	10.8
193.12210	10.2
194.10847	9.8
195.11792	20.5
197.13258	38.7
198.13593	11.7
199.11189	24.4
199.14771	26.6
201.12723	14.6
207.11673	23.0
208.12100	10.1
209.13263	35.7
211.14824	25.1
212.11842	10.2
213.12701	20.5
217.12221	15.3
217.22395	9.1
221.13268	18.7
223.14787	31.8
225.16451	11.2
227.14297	14.7
233.15425	12.2
235.14816	16.7
237.16473	21.3
239.14323	11.1
245.15378	20.4
247.17139	12.0
251.14265	11.3
251.18040	12.4
253.15625	11.3
266.49167	9.7
271.17047	17.6
273.18469	12.1
277.15863	10.1
279.17593	18.0
281.18942	11.4
283.17093	9.7
285.18478	14.4
295.16895	16.7
297.18524	18.0
307.20398	19.5
325.21640	28.5
329.24884	12.9
333.22189	10.7
365.24582	11.5
366.25247	14.6
382.37726	10.2
419.29761	11.4
429.27820	29.1
431.26126	14.3
447.29419	66.9
465.30286	100.0
466.30405	14.2
483.31311	12.5
500.30487	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	100.0
71.31359	29.8
79.05504	19.4
79.84553	17.1
83.04968	88.8
93.07030	26.0
95.08594	43.4
97.71892	18.6
105.03362	17.9
107.08589	28.6
109.10168	18.8
117.16599	18.2
119.08606	22.2
123.08028	18.8
131.08502	19.1
133.10159	29.1
143.08545	23.1
145.10153	26.9
157.10211	20.2
159.11685	33.6
183.11618	23.2
193.10049	18.4
197.13226	23.2
199.14911	22.9
323.12344	25.3
326.16031	21.6
369.16788	22.4
370.17725	34.3
399.14291	23.0
401.19492	37.9
411.14236	31.0
447.28961	93.3
465.29831	62.2
483.23880	29.7
500.25217	19.6
500.38297	25.2
501.25705	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71029	5.0
55.05514	39.4
57.03451	5.5
58.06605	6.4
67.05504	21.3
69.03425	6.9
69.07063	18.4
69.29404	31.7
79.05479	24.0
81.07055	34.0
83.04991	34.3
84.82541	5.5
91.05474	20.3
93.07044	40.1
95.05000	9.5
95.08610	48.1
96.08975	6.2
97.06558	6.0
98.16451	4.2
105.07049	44.8
107.08602	38.7
109.06503	6.7
109.10158	31.3
111.04462	14.2
111.08079	12.8
112.46474	5.3
113.06030	5.8
117.06997	15.2
119.08588	40.5
121.06522	13.5
121.10110	31.7
122.40869	4.5
123.08090	10.4
123.11723	10.8
124.08401	5.3
129.06995	6.6
131.08607	25.0
133.10152	36.4
135.08093	22.3
135.11681	10.6
141.09172	6.4
143.08595	13.7
145.10130	45.0
147.08084	8.3
147.11682	27.6
149.09651	9.6
154.48851	5.3
155.08574	10.4
156.09247	8.2
157.10110	45.4
159.11702	39.7
161.09644	17.8
161.13226	12.9
163.11096	8.8
169.10138	10.9
171.11688	26.4
173.09576	8.3
173.13200	26.4
175.11247	10.4
175.14818	9.0
181.10092	7.9
183.11710	20.0
185.13263	22.8
187.11081	10.7
187.14833	8.3
195.11630	11.1
197.13322	13.3
199.11172	11.1
199.14879	8.9
201.12885	7.1
201.16536	8.2
207.11751	5.8
209.13245	11.5
211.14862	12.5
213.12915	10.2
213.16472	6.0
221.13315	7.0
223.14777	14.8
223.17023	4.9
225.16382	9.2
231.13818	8.7
235.14844	10.4
236.14897	26.6
237.16484	8.2
241.15823	5.8
245.15451	9.3
251.17973	6.5
267.17401	8.3
271.17148	7.0
273.18585	7.6
277.15823	5.3
279.64294	5.0
297.18503	7.1
297.94360	5.0
307.20413	8.3
322.46271	5.5
325.21643	19.0
344.08893	5.2
351.23291	5.8
366.25214	8.0
367.25412	8.4
405.27744	9.0
407.25906	8.7
419.29633	17.6
421.31204	14.1
423.28995	7.8
425.26688	6.9
429.28076	25.9
447.28925	100.0
448.29352	6.7
465.29962	91.7
466.30508	12.0
482.38696	6.5
483.31015	6.1
500.30917	8.2
500.38672	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41920	5.1
55.05511	53.9
56.05843	7.7
56.77831	5.1
58.23966	4.8
63.14315	5.0
67.05493	22.1
69.03416	8.5
69.07079	14.6
71.32459	7.0
79.05486	12.4
81.07066	40.1
83.04973	42.5
83.08578	6.7
84.05342	5.8
85.02880	6.8
91.05476	21.8
93.07056	31.1
95.04972	7.7
95.08604	89.2
102.77953	5.4
103.05470	7.2
105.03408	16.6
105.07028	42.3
107.08595	28.5
109.06511	8.8
109.10152	31.7
111.08058	9.8
117.07022	17.5
119.08584	38.7
121.10157	27.7
123.08059	12.1
123.11709	7.8
131.04932	9.5
131.08566	28.2
133.10130	44.9
135.08052	8.9
135.11697	14.9
139.07545	14.8
142.07738	7.5
143.08571	28.5
145.10083	37.6
147.11682	17.3
149.09631	6.0
154.81367	4.9
155.08554	9.7
157.10155	38.0
159.08038	9.1
159.11708	34.0
161.09633	11.0
161.13306	8.3
163.11143	6.3
169.10114	20.5
171.11652	34.6
173.09703	9.1
173.13278	21.6
175.11214	9.1
177.09131	7.4
181.10115	7.0
183.11723	32.2
185.09610	8.7
185.13239	17.4
187.11179	11.7
187.14815	6.8
195.11716	15.5
197.13277	20.3
199.14828	11.9
201.12746	5.7
203.10582	7.7
205.12141	6.1
209.13264	22.0
210.06966	6.7
211.11238	5.9
211.14827	12.4
213.12714	18.8
215.14255	12.7
217.12230	8.6
219.13698	7.8
221.13387	8.6
222.78650	5.8
223.14848	10.2
225.12752	7.8
225.16431	6.1
229.15942	7.3
231.13840	16.2
233.15405	13.7
239.14407	6.9
241.15779	7.6
245.15335	17.2
247.16982	8.7
249.09079	7.2
249.16455	7.6
250.05960	5.3
253.08562	6.1
254.08876	8.8
257.15482	9.5
265.08328	6.4
265.19266	7.3
266.09018	7.6
267.17358	7.8
268.10574	5.7
269.15247	7.4
281.08072	8.3
282.08417	11.7
294.08453	11.1
295.09427	6.5
296.10196	7.0
307.20514	11.8
312.09460	9.4
315.08243	6.4
325.21725	38.8
326.10986	10.3
327.08600	8.1
328.08990	12.8
342.10938	13.8
343.11462	31.4
344.12057	19.2
345.22403	6.0
351.12091	7.0
351.22614	5.2
355.11786	12.3
356.12057	23.2
358.13626	13.5
379.11661	10.2
381.13168	6.8
385.11255	6.0
395.14798	21.0
396.15033	7.5
399.14026	6.1
400.14911	31.3
401.14261	6.4
405.27676	11.8
410.11060	6.8
413.09998	10.5
419.29419	9.0
423.29117	7.1
427.11050	6.1
428.13083	6.1
429.27902	19.3
443.22101	5.3
447.28967	42.8
465.30051	100.0
466.30582	8.5
468.18857	7.0
483.25143	35.5
483.30368	27.8
485.19489	42.2
500.21652	46.8
501.26532	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76633	14.7
63.16445	18.8
66.79122	18.9
69.14797	69.3
69.15220	58.7
95.08631	37.3
98.22633	32.1
105.03410	100.0
121.10177	17.3
429.27661	24.1
447.29343	85.0
465.30103	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.337
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	33.7
69.25435	41.2
69.25844	100.0
69.45596	17.8
70.15967	19.6
75.03976	17.2
80.19118	19.3
81.07050	50.5
83.04985	33.0
91.05490	31.5
93.07071	37.1
95.08623	68.6
97.06483	21.7
102.38110	21.3
102.67743	21.3
105.07044	64.5
107.08611	54.0
111.04480	30.8
111.08058	24.3
118.81423	18.5
119.08599	52.8
121.06533	23.4
121.10155	41.3
131.08586	36.9
133.10129	44.2
134.93246	20.1
143.08588	20.5
145.10126	60.0
156.09306	20.9
156.95058	18.5
157.10048	39.1
159.11726	62.2
161.09549	23.9
169.10118	24.6
171.11739	46.6
183.11656	35.8
185.13245	29.8
197.13336	23.9
198.13847	23.3
205.28371	23.1
209.13208	29.3
221.13278	23.1
245.15375	20.0
293.27008	21.6
346.65820	20.8
419.29642	29.3
429.27597	29.0
447.29138	43.0
465.29968	67.3
482.30151	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	100.0
71.31359	29.8
79.05504	19.4
79.84553	17.1
83.04968	88.8
93.07030	26.0
95.08594	43.4
97.71892	18.6
105.03362	17.9
107.08589	28.6
109.10168	18.8
117.16599	18.2
119.08606	22.2
123.08028	18.8
131.08502	19.1
133.10159	29.1
143.08545	23.1
145.10153	26.9
157.10211	20.2
159.11685	33.6
183.11618	23.2
193.10049	18.4
197.13226	23.2
199.14911	22.9
323.12344	25.3
326.16031	21.6
369.16788	22.4
370.17725	34.3
399.14291	23.0
401.19492	37.9
411.14236	31.0
447.28961	93.3
465.29831	62.2
483.23880	29.7
500.25217	19.6
500.38297	25.2
501.25705	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64484	7.9
55.05521	17.3
57.07080	8.7
63.24049	8.9
67.05500	24.9
69.07063	26.0
69.11476	72.2
73.42548	8.5
73.79839	9.4
75.12907	8.1
77.41618	8.8
79.05498	23.7
79.12998	8.2
81.07056	72.3
83.04996	9.5
83.08633	18.3
91.05489	29.1
93.07053	66.1
95.08611	100.0
97.06535	10.9
98.22640	18.0
105.07044	53.4
107.08608	73.3
109.10175	50.6
111.04482	20.6
111.08067	13.5
119.08578	79.3
121.10140	62.5
123.11717	24.7
126.17149	8.3
130.41341	9.0
131.08545	31.3
133.10130	73.8
135.08015	10.6
135.11678	48.2
137.05978	10.0
141.09131	9.1
143.08575	11.5
145.10167	35.0
147.11668	39.4
149.09633	13.0
149.13297	29.6
155.08607	13.1
157.10121	17.7
159.08131	11.9
159.11723	39.8
161.09610	29.8
161.13295	23.5
163.14841	12.0
171.11670	20.1
172.55403	8.8
173.09578	11.2
173.13258	24.7
175.11264	24.9
175.14949	14.3
181.12218	9.1
185.13281	16.5
187.14862	19.0
189.12793	11.1
189.16422	10.8
199.11368	12.0
199.14816	20.9
201.12811	16.5
203.14468	10.3
203.18053	17.0
204.18378	20.9
213.12613	13.1
215.14395	13.7
219.13789	10.5
231.17455	17.0
233.15395	18.6
235.16833	11.1
241.15948	8.9
283.26398	42.5
311.29440	36.6
355.75293	11.7
433.30994	27.1
449.21783	11.1
451.31909	32.8
500.46704	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22964	3.4
51.78928	2.9
55.05514	27.1
57.07081	4.3
59.70963	3.1
67.05507	32.8
69.03433	7.1
69.07082	19.0
69.29823	24.0
73.06559	7.1
79.05486	22.8
81.07060	59.1
83.05027	7.0
83.08636	18.3
85.06580	4.6
90.02083	3.6
91.05478	20.3
93.07051	47.1
95.04972	6.8
95.08609	64.3
97.02896	5.0
97.06539	6.8
97.10160	16.2
97.60252	2.7
98.22554	3.5
105.07037	41.7
107.08601	62.6
109.06550	7.8
109.10162	65.6
110.10522	3.3
111.04447	28.3
111.08118	7.1
115.07604	12.8
117.07053	5.8
119.08592	41.6
121.06534	3.6
121.10154	100.0
121.11025	6.7
123.08058	7.5
123.11709	34.3
124.38307	3.1
125.09631	8.8
129.07018	5.5
129.09088	5.0
131.08565	16.3
133.10141	47.8
135.08102	12.0
135.11713	39.6
137.05986	20.2
137.09610	4.7
137.13260	10.3
141.93837	3.0
142.07849	3.9
143.08591	8.6
145.10129	32.1
147.08072	6.4
147.11688	28.9
149.09648	9.2
149.13249	8.5
155.08640	4.2
156.09361	6.2
157.10173	19.2
157.12233	32.4
159.08057	9.3
159.11690	27.7
161.09628	13.0
161.13272	20.9
163.11205	11.1
163.14847	5.9
167.10695	5.3
169.10117	5.9
171.11745	11.9
172.12477	3.8
173.09622	11.6
173.13307	18.8
175.11240	18.0
175.14850	10.1
177.12700	4.6
177.16321	4.5
181.12285	12.4
183.11696	5.2
185.09673	3.9
185.13266	10.6
187.11063	2.9
187.14862	15.5
189.12741	8.3
189.16396	6.1
193.12233	5.2
195.11829	4.1
195.13832	10.3
197.13300	8.3
199.01195	3.9
199.14859	12.3
201.12878	3.4
201.16310	7.5
203.14285	7.2
205.15929	7.1
207.13721	3.1
209.13336	8.0
209.15321	4.4
211.14792	4.4
213.12784	4.2
213.16415	7.3
215.14330	7.2
215.18042	5.0
217.15916	9.3
219.13795	11.8
219.17558	15.4
219.19376	3.4
221.15356	7.2
227.14323	6.6
231.13907	6.1
231.17519	8.9
233.15369	33.8
237.16255	5.4
237.18430	29.5
239.17976	3.7
245.15402	25.7
247.16927	8.9
249.18550	12.3
251.20082	12.7
263.20114	7.8
273.18643	6.6
283.26358	4.3
289.21841	7.3
295.16913	3.8
327.23175	11.7
341.24847	10.4
351.22968	4.2
353.25021	4.4
369.24246	9.5
377.24338	4.7
381.24402	6.5
383.25937	3.8
395.25854	7.4
401.26947	7.7
423.32520	5.1
427.28232	4.5
433.31003	38.4
451.32068	75.5
452.32501	7.3
483.34610	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.6
57.07069	5.8
59.88905	3.5
67.05503	25.5
69.01804	9.3
69.02218	23.9
69.03439	3.3
69.07066	17.1
79.05511	22.2
81.07056	52.8
83.04983	5.4
83.08627	10.4
91.05466	22.5
93.07050	48.1
95.04951	6.1
95.08612	45.9
97.02969	3.2
98.23382	6.6
105.07036	46.0
107.08596	54.8
109.06496	9.1
109.10163	41.3
111.04446	37.7
111.08104	9.0
115.07562	4.2
117.07008	4.3
119.08583	55.7
121.10146	100.0
123.08082	5.7
123.11721	32.2
125.09622	4.0
127.02570	3.3
129.07027	3.7
129.09113	3.7
130.07780	3.9
131.08591	22.5
133.06517	4.9
133.10144	44.1
135.08061	8.3
135.11710	40.6
137.05986	22.9
137.13315	4.9
142.07791	3.7
143.08572	17.9
145.10115	36.5
147.08026	9.5
147.11673	30.2
149.09622	13.2
149.13280	16.6
155.08530	5.9
155.10693	3.5
157.10139	15.1
159.08066	9.7
159.11702	23.1
161.09657	19.4
161.13220	22.9
163.11182	12.7
163.14807	9.3
167.10698	7.0
169.10040	5.3
171.11650	14.5
173.09578	7.7
173.13245	16.8
173.62285	2.8
175.11194	21.4
175.14854	17.7
177.12784	5.3
177.16362	6.6
181.12222	7.2
183.11699	5.3
185.09607	3.2
185.13232	17.3
187.14827	21.0
189.12729	6.6
189.16393	9.7
191.14336	6.2
193.12314	2.9
195.13817	9.0
197.13232	5.7
199.14879	23.2
201.12700	6.7
201.16400	13.7
203.14363	8.6
203.18057	4.7
205.15959	4.5
209.13438	4.0
209.15416	6.2
211.14687	3.5
213.12820	5.9
213.16331	17.5
215.14354	15.7
215.17970	7.8
217.15868	14.8
219.13831	8.3
219.17494	7.1
225.16197	4.3
227.14471	6.6
229.15891	4.6
231.17509	11.1
233.15398	23.5
237.16502	3.5
237.18518	15.2
245.15340	11.1
247.17134	7.0
249.18472	6.0
259.16956	8.2
263.20047	7.5
283.26163	10.2
293.22565	3.2
395.26004	4.4
423.32306	4.1
433.31036	47.1
434.31516	4.0
451.32126	76.4
452.31982	3.5
483.34634	8.3
500.31836	5.2
500.46579	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21003	2.2
55.05505	27.8
57.07075	7.4
59.04975	2.4
64.66699	2.4
67.05503	29.9
69.03419	6.0
69.07063	22.4
69.70399	5.7
69.70782	6.1
73.06557	8.7
79.05492	18.1
81.06587	2.8
81.07058	48.9
83.04980	5.9
83.08627	18.6
89.71727	2.2
91.05476	17.6
93.07040	39.3
95.04942	3.9
95.08044	4.6
95.08608	62.9
97.02888	4.7
97.06512	6.9
97.10148	15.2
105.07027	43.9
107.08598	66.2
109.06527	11.5
109.10159	82.0
111.04456	29.5
111.08075	7.1
115.07565	20.5
117.07030	8.3
119.08580	42.8
121.06470	4.2
121.10139	100.0
123.08049	8.3
123.11711	38.2
125.09637	13.8
129.06998	3.6
129.09119	8.5
131.08575	23.4
133.10121	49.3
135.08055	9.4
135.10678	3.0
135.11699	49.7
137.05971	22.8
137.09596	3.2
137.13260	10.6
139.07567	5.8
143.08530	11.1
145.10121	32.0
147.08089	6.5
147.11684	27.2
149.09612	9.8
149.13261	9.6
151.11168	3.3
155.08521	4.6
157.10173	21.2
157.12224	38.7
159.08066	6.1
159.11679	26.5
161.09639	14.0
161.13251	20.9
163.11185	14.4
163.14813	5.4
167.10667	8.6
169.10081	3.9
171.11684	16.3
173.09587	15.6
173.13268	19.4
175.11198	18.3
175.14827	10.7
177.12735	8.6
177.16422	5.9
181.12207	11.4
183.11700	7.3
185.09698	4.4
185.13254	7.6
187.14815	16.4
189.12750	8.0
189.16393	9.4
191.17876	2.9
195.11725	3.3
195.13831	8.9
197.13295	7.1
199.14815	17.2
201.12790	6.4
201.16394	11.4
203.14371	8.7
203.18076	3.1
205.15884	10.3
209.13336	3.9
209.15312	5.6
211.14798	5.3
213.12753	8.3
213.16353	6.9
215.14334	15.7
215.17949	8.9
217.15935	12.0
219.13826	14.6
219.17444	14.2
221.15347	6.1
225.16397	5.1
227.14229	7.6
227.17903	3.8
229.15962	4.8
231.13765	8.0
231.17421	9.2
233.15352	35.2
237.16409	4.8
237.18472	25.3
239.17877	5.4
241.15872	3.0
243.17625	3.4
245.15378	30.4
247.16849	6.4
249.18466	7.4
251.17752	2.8
251.20134	8.1
255.17462	3.4
259.16876	4.8
263.20093	8.1
265.19519	3.5
273.18530	5.9
283.26276	5.9
285.18610	3.1
287.20044	5.9
289.21649	4.1
327.23154	9.8
341.24780	6.7
351.23209	4.9
369.24261	13.7
381.24188	7.1
395.25519	7.1
402.57278	2.6
409.31256	4.1
427.28384	5.3
433.31027	35.3
434.31491	3.3
451.32089	72.6
452.32080	6.0
483.34747	20.8
500.46533	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
64.36086	0.3
66.01991	0.3
69.10036	0.5
69.10375	3.4
73.61489	0.3
79.05527	0.4
81.07059	0.6
85.02907	0.4
91.05492	0.7
93.07078	0.4
95.08605	0.5
97.02898	0.4
105.07032	0.5
119.08558	0.4
129.06947	0.3
137.05992	1.3
145.10030	0.5
145.27521	0.4
151.07603	0.3
185.04216	17.6
207.09955	1.4
317.08398	2.4
338.03946	8.9
338.07840	0.5
339.04739	12.4
340.05115	0.7
501.10037	100.0
501.18481	4.0
502.10352	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	1.0
51.02374	1.2
52.83148	0.1
53.00287	0.2
53.03946	6.0
54.04279	0.1
55.01867	0.5
55.05505	0.2
57.47269	0.1
59.04988	0.1
63.32492	0.1
64.41577	0.1
67.05517	0.2
69.07061	0.2
72.43848	0.1
73.06561	0.1
75.04478	0.3
77.03917	1.7
77.36074	0.1
79.05493	0.2
81.03415	0.9
81.07047	0.3
83.04980	0.1
84.77570	0.1
88.07621	0.1
91.05487	0.3
93.07069	0.2
95.04964	9.5
95.08604	0.6
96.05287	0.2
97.06516	0.3
99.04452	0.3
101.06001	0.2
104.10758	0.3
105.03388	100.0
105.04525	4.8
105.06962	0.7
106.03712	2.2
107.08572	0.2
109.10140	0.1
110.03660	0.1
111.04440	0.2
115.05437	0.1
118.06545	0.2
119.08560	0.3
121.10175	0.2
125.05980	0.7
129.05498	0.8
129.07019	0.1
131.08588	0.2
133.06461	0.6
133.10158	0.3
135.08066	0.4
141.07013	0.1
143.08617	0.1
145.10141	0.3
147.11676	0.2
151.07558	0.4
153.05447	1.9
159.11671	0.3
165.06906	0.1
167.07060	0.3
167.08556	0.1
171.11700	0.3
175.03885	0.4
177.09093	0.9
179.08536	0.2
181.06506	0.1
185.07664	0.1
186.07719	0.2
189.07018	0.3
190.07880	0.5
191.08600	0.2
197.05949	0.3
198.06714	0.6
199.03925	0.4
202.07758	0.3
203.08505	0.3
205.06471	0.2
207.08058	0.5
213.05466	0.8
215.08742	0.1
217.06479	0.2
218.07275	0.6
219.08017	0.6
220.08852	0.2
221.09709	0.1
225.05478	0.3
226.06241	5.0
227.06630	0.2
228.23209	0.2
229.06483	0.2
231.08069	0.3
232.08849	0.3
233.05908	0.3
233.09612	0.3
234.06723	0.1
235.07480	0.6
236.04692	0.1
236.08147	0.2
237.05359	0.1
237.09090	0.1
239.07118	0.2
245.05980	0.2
246.06761	0.6
247.07544	0.8
248.08354	0.5
249.05368	0.6
249.09106	0.2
250.06216	0.5
250.09795	0.3
251.07062	0.2
256.26385	0.1
258.06732	0.1
259.07544	0.4
260.08282	0.3
261.05460	0.2
261.09094	0.8
262.06253	0.4
262.09912	0.2
263.07028	1.7
263.10635	0.3
264.04163	0.1
264.07663	0.3
265.04782	0.1
265.08633	0.7
273.05548	0.3
274.06223	0.4
275.07037	1.5
276.07748	1.1
277.08569	1.4
278.05765	0.3
278.09372	0.4
279.06558	0.4
280.07278	0.1
282.05197	0.1
286.06158	0.1
287.07166	0.8
288.05020	0.1
288.07761	0.7
289.04947	0.9
289.08588	1.1
290.05640	0.3
290.09357	0.5
291.06534	0.9
291.10165	0.6
292.07114	0.2
292.10617	0.1
293.08063	1.5
293.11697	0.3
294.05292	0.1
294.08533	0.2
295.17233	0.3
299.05270	0.1
302.05627	0.3
303.06604	1.1
304.07230	1.5
305.08017	1.8
306.05469	0.2
306.08759	0.9
307.06195	0.2
307.09512	0.3
308.06787	0.2
308.10291	0.2
309.07657	0.2
315.06497	0.4
316.07205	0.4
317.04504	0.3
317.08093	0.9
318.05161	0.3
318.08862	1.2
319.05981	0.5
319.09628	1.7
320.10345	1.2
321.07547	1.8
321.11221	0.9
322.08066	0.3
323.09146	0.1
323.12674	0.2
330.08929	0.2
331.06088	0.4
332.06854	1.1
333.07501	2.5
334.04718	0.2
334.08191	0.8
335.09116	0.3
336.09781	1.0
337.10706	0.2
347.09100	2.4
348.09891	3.1
349.06937	1.1
349.10721	2.6
350.11200	0.3
351.08627	0.3
351.12250	3.7
352.12775	0.3
364.09357	1.2
365.09976	0.2
379.11737	9.9
380.12378	0.6
413.13937	0.2
440.12283	0.2
441.13364	0.4
448.28217	0.1
471.14359	1.9
473.16205	0.2
484.31805	0.2
501.15012	0.4
501.26050	0.9
502.26965	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
60.84377	0.4
67.05488	0.8
69.03410	0.7
71.29895	0.8
81.07036	1.3
85.02905	0.7
85.67909	0.5
91.05478	0.7
93.07061	0.7
99.48536	0.5
105.06985	1.2
106.54213	0.6
107.08540	0.6
119.08586	0.7
129.44263	0.5
137.05966	1.4
145.10161	0.6
159.11752	0.5
161.13260	0.5
173.09612	0.6
177.06651	0.9
185.04176	0.6
207.09929	27.6
229.06793	1.2
248.12483	0.5
293.56506	0.5
317.08426	51.7
318.08743	2.3
323.17474	1.0
369.17899	1.0
382.87625	0.5
501.19281	100.0
502.19513	7.3
528.79236	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	0.3
69.03441	1.1
70.06604	0.6
71.29837	0.4
81.03425	0.3
83.04993	0.5
85.02901	1.6
86.32641	0.3
97.02893	0.7
99.00829	0.5
99.04524	0.2
107.04969	0.4
109.02906	0.3
111.04466	0.9
123.04408	0.2
123.11716	0.9
129.05528	0.3
137.02422	0.5
139.03928	0.3
147.04424	0.9
155.03244	0.3
163.03923	0.7
172.28264	0.2
177.05446	0.3
189.12732	0.3
207.08148	0.5
207.13828	0.3
227.05714	0.3
235.07561	0.9
243.04866	0.3
263.07147	1.0
273.06158	0.8
281.07990	1.2
291.06601	0.4
299.11115	1.1
303.13297	0.3
309.07611	0.7
317.08353	2.7
321.17102	0.7
327.08603	0.3
347.09515	0.7
369.15237	5.6
375.08957	1.5
389.14145	3.1
431.15216	4.4
441.16220	0.4
443.15109	1.3
483.13342	0.3
501.19458	100.0
502.19781	6.4
502.26807	0.5
512.98163	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2119
Annotation	Arisanschinin I
Peak:m/z	Relative Intensity
53.03941	4.4
55.05513	72.1
56.05832	1.1
69.38680	3.1
69.39100	3.9
79.05521	1.3
81.07064	4.9
83.04983	100.0
84.05298	1.4
95.08609	2.3
105.07040	1.3
109.06527	2.1
121.10117	1.3
123.04424	1.0
133.06525	1.1
137.05942	5.0
143.08583	1.9
145.10121	1.3
157.10077	1.2
161.06012	1.2
183.06541	2.0
188.08235	1.2
189.09196	1.1
202.15291	1.3
203.10645	2.4
229.04843	2.2
231.10150	1.9
237.05670	1.3
243.06563	2.2
245.11697	2.1
253.08463	1.3
257.04453	6.5
266.09430	1.5
271.05981	1.5
272.06778	9.3
281.08142	1.4
281.11768	1.3
283.05731	1.3
283.08969	1.3
285.03870	1.7
285.15012	2.0
287.05438	2.0
289.06985	2.0
293.08081	1.6
295.09662	1.5
300.06302	5.1
301.06891	1.3
302.08286	1.3
303.04990	10.8
311.08981	1.7
312.09930	1.1
314.15213	1.9
317.06558	3.0
317.10086	1.7
318.07355	6.8
327.12039	1.2
329.10022	1.5
333.09692	33.8
334.10049	1.7
337.10757	4.3
339.08478	1.7
341.13535	1.5
344.12665	1.6
352.12991	2.3
354.11203	1.7
368.12296	1.2
369.13177	4.8
370.14081	1.3
371.11191	3.2
383.14850	3.6
401.15897	13.6
415.13879	27.3
416.14063	1.5
419.16861	3.3
469.16556	2.4
483.20029	9.6
501.21158	9.5
501.27841	1.5
513.68860	1.2
521.25647	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14790	0.3
67.05518	0.5
69.03457	0.3
70.45264	0.3
70.45587	0.6
72.23071	0.4
75.05756	0.3
79.05514	0.4
81.07069	0.8
83.05001	0.4
91.05480	0.4
91.64240	0.3
93.07056	0.5
95.08615	0.7
105.07041	0.5
107.08617	0.6
109.10163	0.6
121.10168	0.4
123.04431	0.4
137.06009	0.6
203.05333	1.1
242.45377	0.3
268.07086	0.3
275.07349	1.2
335.05493	0.8
335.09482	13.6
335.13336	0.8
336.09760	0.5
355.04346	0.4
369.18854	4.3
501.23077	100.0
502.23386	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14790	0.3
67.05518	0.5
69.03457	0.3
70.45264	0.3
70.45587	0.6
72.23071	0.4
75.05756	0.3
79.05514	0.4
81.07069	0.8
83.05001	0.4
91.05480	0.4
91.64240	0.3
93.07056	0.5
95.08615	0.7
105.07041	0.5
107.08617	0.6
109.10163	0.6
121.10168	0.4
123.04431	0.4
137.06009	0.6
203.05333	1.1
242.45377	0.3
268.07086	0.3
275.07349	1.2
335.05493	0.8
335.09482	13.6
335.13336	0.8
336.09760	0.5
355.04346	0.4
369.18854	4.3
501.23077	100.0
502.23386	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2485
Annotation	Methyl schisantherin F
Peak:m/z	Relative Intensity
55.05512	63.9
57.35144	4.3
81.07050	7.4
83.04984	100.0
91.35579	4.3
95.08623	5.8
96.79547	4.4
98.22557	10.8
107.08620	5.2
109.10062	5.0
121.10137	4.3
133.10150	5.8
140.88422	5.1
176.47116	4.6
332.12521	5.3
345.13251	4.7
364.31290	4.7
370.17685	5.8
401.19440	15.6
458.66415	5.0
465.29770	6.3
483.23325	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62793	16.4
55.05491	16.2
64.27250	15.5
67.04591	14.5
67.75397	17.9
69.12575	100.0
69.13026	56.6
100.62620	16.4
112.35626	17.7
126.16716	20.7
129.43771	17.4
337.14386	24.9
401.19333	23.5
444.44849	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13355	14.9
55.05519	79.3
59.12634	14.6
60.79477	16.1
68.31784	15.8
69.15011	47.3
69.15424	94.6
77.85248	17.1
83.04979	79.8
98.22575	27.2
99.06351	15.0
111.08134	16.3
153.96231	16.0
193.46124	17.5
249.18927	15.3
291.09903	18.0
306.12531	15.3
317.10013	17.9
318.10785	17.6
323.12665	40.9
327.12332	19.2
332.12564	30.2
335.04852	20.2
337.14297	47.9
338.15204	19.7
359.15140	21.3
369.16965	48.0
370.17752	53.1
401.19650	100.0
414.16968	19.1
427.17365	22.6
452.22018	17.6
483.23703	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
53.41365	1.1
55.01884	2.6
55.05515	11.0
57.03436	3.0
57.07071	1.9
59.05000	5.7
65.03956	1.3
67.05505	11.8
67.33955	1.0
68.80927	1.0
69.03427	10.6
69.07076	11.9
70.19499	3.8
71.05002	3.2
74.65842	1.4
75.78571	1.2
79.05486	10.7
81.03430	1.6
81.07063	15.0
83.04993	15.2
83.08632	2.9
85.06548	2.0
89.51476	1.1
91.05492	14.9
93.07050	16.2
95.04973	4.8
95.05492	1.1
95.08613	30.4
97.06540	3.7
97.10174	1.3
99.03890	1.1
99.04448	6.2
99.08064	1.7
105.07035	20.2
107.04967	2.1
107.08598	14.8
109.06517	13.9
109.10150	7.2
111.04407	1.4
111.08080	6.9
115.05468	1.9
116.06283	1.2
117.07026	6.6
119.04934	2.2
119.08590	20.9
120.08850	1.1
121.06518	7.0
121.10139	10.6
123.04465	2.0
123.08072	11.3
123.11713	3.4
125.05995	2.6
125.09601	1.8
127.03929	2.7
127.07603	3.2
128.06227	3.0
129.06996	5.5
129.09189	1.4
130.07794	1.5
131.04863	1.2
131.08575	13.2
133.06502	4.3
133.10135	19.0
133.11066	1.9
135.08067	8.6
135.11703	4.1
137.05983	7.0
137.09630	4.2
139.03894	1.6
139.07581	5.7
141.07011	3.6
142.07782	6.4
143.08562	12.7
145.06529	3.3
145.10121	15.4
147.08063	8.2
147.11656	7.7
149.06009	1.7
149.09665	5.6
151.07541	2.7
151.11205	1.8
153.09119	1.3
154.07837	1.5
155.07225	1.6
155.08586	6.3
156.09348	4.5
157.10123	18.3
159.08049	5.7
159.11714	13.0
161.05989	1.6
161.09612	12.8
161.13293	6.0
163.07568	2.4
163.11209	3.9
165.06990	3.5
167.08560	2.5
168.09375	2.4
169.10080	9.1
170.10864	2.2
171.08090	2.8
171.11649	10.3
173.08134	3.5
173.09662	8.0
173.13322	5.3
175.07620	2.6
175.11194	8.1
177.09134	2.2
177.12782	1.6
179.10739	1.8
180.09329	2.2
181.10144	4.3
182.10942	2.1
183.11703	8.9
185.09677	5.3
185.13228	9.2
187.11209	6.7
187.14845	2.1
189.09142	4.9
189.12703	2.9
191.10690	2.2
193.10185	4.2
193.12245	1.4
194.10934	1.3
195.08109	1.6
195.11742	6.7
197.09660	4.7
197.13264	5.6
198.10381	1.9
199.11160	6.6
199.14842	3.0
201.09155	2.4
201.12785	5.3
203.10730	4.6
203.14378	5.7
205.10240	1.2
205.12270	1.8
205.36383	1.4
206.10954	1.8
207.10028	1.8
207.11769	3.9
209.09645	4.1
209.13272	4.9
211.11223	4.2
211.14825	5.7
213.09171	1.9
213.12805	4.1
213.16438	2.5
215.10757	4.5
215.14299	1.8
217.08694	1.7
217.12320	3.7
219.11853	2.6
219.13721	1.5
219.51270	1.3
220.12361	2.2
221.13264	3.9
223.11211	3.4
223.14828	3.1
225.09151	1.6
225.12830	3.8
225.16360	2.5
227.10706	2.5
227.14377	2.3
229.12247	4.2
229.15862	2.2
231.13855	3.4
232.12215	1.3
233.11534	1.8
233.15370	1.3
235.11331	2.0
235.14883	2.6
237.12796	2.5
237.16504	2.8
239.14371	3.9
239.18059	1.5
241.12183	3.7
243.13916	2.5
243.17494	1.8
245.15425	1.2
247.17024	1.4
249.12775	1.8
249.16364	1.2
251.10599	1.5
251.14392	2.8
251.18080	1.9
253.12402	1.5
253.15915	3.0
255.13875	1.6
255.17419	1.4
257.15466	1.7
261.16415	1.9
263.14438	3.2
263.17554	1.2
267.13696	1.7
267.17419	1.4
271.16904	3.5
273.18527	2.3
275.20480	1.3
279.17548	2.0
281.15472	4.3
283.16977	1.4
285.18631	2.4
289.19440	1.9
293.18964	1.3
295.16946	1.1
297.18436	2.3
299.16449	1.9
303.17548	2.4
307.16901	3.0
309.14966	1.4
311.20129	2.5
313.18121	2.2
315.15833	1.4
321.13464	1.5
321.18530	4.6
323.16376	2.1
323.20065	2.1
327.15903	1.3
327.23242	2.2
329.24796	7.1
331.16934	1.4
337.14398	1.4
339.15973	1.6
339.19601	3.7
341.17664	2.1
343.15512	2.9
343.22659	2.1
349.17987	4.4
349.21820	1.5
351.19516	2.6
353.21109	2.9
363.19623	2.3
367.19107	2.5
369.16711	1.7
369.20605	11.9
371.22076	1.7
377.21106	4.5
379.18875	2.6
381.20728	1.8
391.18671	2.3
393.24423	2.0
395.22311	5.9
397.20108	13.9
401.20468	1.6
405.20517	3.6
409.20078	4.3
413.23434	1.6
415.21133	36.8
419.22351	6.4
421.23514	2.3
423.21582	6.6
437.23260	18.9
439.24792	4.8
441.22717	5.0
447.21582	2.9
455.24402	8.2
455.29947	1.2
457.32794	3.4
465.22754	35.2
466.23383	1.5
483.23788	100.0
484.23978	7.5
501.24719	31.8
501.31931	15.4
502.25110	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
53.41365	1.1
55.01884	2.6
55.05515	11.0
57.03436	3.0
57.07071	1.9
59.05000	5.7
65.03956	1.3
67.05505	11.8
67.33955	1.0
68.80927	1.0
69.03427	10.6
69.07076	11.9
70.19499	3.8
71.05002	3.2
74.65842	1.4
75.78571	1.2
79.05486	10.7
81.03430	1.6
81.07063	15.0
83.04993	15.2
83.08632	2.9
85.06548	2.0
89.51476	1.1
91.05492	14.9
93.07050	16.2
95.04973	4.8
95.05492	1.1
95.08613	30.4
97.06540	3.7
97.10174	1.3
99.03890	1.1
99.04448	6.2
99.08064	1.7
105.07035	20.2
107.04967	2.1
107.08598	14.8
109.06517	13.9
109.10150	7.2
111.04407	1.4
111.08080	6.9
115.05468	1.9
116.06283	1.2
117.07026	6.6
119.04934	2.2
119.08590	20.9
120.08850	1.1
121.06518	7.0
121.10139	10.6
123.04465	2.0
123.08072	11.3
123.11713	3.4
125.05995	2.6
125.09601	1.8
127.03929	2.7
127.07603	3.2
128.06227	3.0
129.06996	5.5
129.09189	1.4
130.07794	1.5
131.04863	1.2
131.08575	13.2
133.06502	4.3
133.10135	19.0
133.11066	1.9
135.08067	8.6
135.11703	4.1
137.05983	7.0
137.09630	4.2
139.03894	1.6
139.07581	5.7
141.07011	3.6
142.07782	6.4
143.08562	12.7
145.06529	3.3
145.10121	15.4
147.08063	8.2
147.11656	7.7
149.06009	1.7
149.09665	5.6
151.07541	2.7
151.11205	1.8
153.09119	1.3
154.07837	1.5
155.07225	1.6
155.08586	6.3
156.09348	4.5
157.10123	18.3
159.08049	5.7
159.11714	13.0
161.05989	1.6
161.09612	12.8
161.13293	6.0
163.07568	2.4
163.11209	3.9
165.06990	3.5
167.08560	2.5
168.09375	2.4
169.10080	9.1
170.10864	2.2
171.08090	2.8
171.11649	10.3
173.08134	3.5
173.09662	8.0
173.13322	5.3
175.07620	2.6
175.11194	8.1
177.09134	2.2
177.12782	1.6
179.10739	1.8
180.09329	2.2
181.10144	4.3
182.10942	2.1
183.11703	8.9
185.09677	5.3
185.13228	9.2
187.11209	6.7
187.14845	2.1
189.09142	4.9
189.12703	2.9
191.10690	2.2
193.10185	4.2
193.12245	1.4
194.10934	1.3
195.08109	1.6
195.11742	6.7
197.09660	4.7
197.13264	5.6
198.10381	1.9
199.11160	6.6
199.14842	3.0
201.09155	2.4
201.12785	5.3
203.10730	4.6
203.14378	5.7
205.10240	1.2
205.12270	1.8
205.36383	1.4
206.10954	1.8
207.10028	1.8
207.11769	3.9
209.09645	4.1
209.13272	4.9
211.11223	4.2
211.14825	5.7
213.09171	1.9
213.12805	4.1
213.16438	2.5
215.10757	4.5
215.14299	1.8
217.08694	1.7
217.12320	3.7
219.11853	2.6
219.13721	1.5
219.51270	1.3
220.12361	2.2
221.13264	3.9
223.11211	3.4
223.14828	3.1
225.09151	1.6
225.12830	3.8
225.16360	2.5
227.10706	2.5
227.14377	2.3
229.12247	4.2
229.15862	2.2
231.13855	3.4
232.12215	1.3
233.11534	1.8
233.15370	1.3
235.11331	2.0
235.14883	2.6
237.12796	2.5
237.16504	2.8
239.14371	3.9
239.18059	1.5
241.12183	3.7
243.13916	2.5
243.17494	1.8
245.15425	1.2
247.17024	1.4
249.12775	1.8
249.16364	1.2
251.10599	1.5
251.14392	2.8
251.18080	1.9
253.12402	1.5
253.15915	3.0
255.13875	1.6
255.17419	1.4
257.15466	1.7
261.16415	1.9
263.14438	3.2
263.17554	1.2
267.13696	1.7
267.17419	1.4
271.16904	3.5
273.18527	2.3
275.20480	1.3
279.17548	2.0
281.15472	4.3
283.16977	1.4
285.18631	2.4
289.19440	1.9
293.18964	1.3
295.16946	1.1
297.18436	2.3
299.16449	1.9
303.17548	2.4
307.16901	3.0
309.14966	1.4
311.20129	2.5
313.18121	2.2
315.15833	1.4
321.13464	1.5
321.18530	4.6
323.16376	2.1
323.20065	2.1
327.15903	1.3
327.23242	2.2
329.24796	7.1
331.16934	1.4
337.14398	1.4
339.15973	1.6
339.19601	3.7
341.17664	2.1
343.15512	2.9
343.22659	2.1
349.17987	4.4
349.21820	1.5
351.19516	2.6
353.21109	2.9
363.19623	2.3
367.19107	2.5
369.16711	1.7
369.20605	11.9
371.22076	1.7
377.21106	4.5
379.18875	2.6
381.20728	1.8
391.18671	2.3
393.24423	2.0
395.22311	5.9
397.20108	13.9
401.20468	1.6
405.20517	3.6
409.20078	4.3
413.23434	1.6
415.21133	36.8
419.22351	6.4
421.23514	2.3
423.21582	6.6
437.23260	18.9
439.24792	4.8
441.22717	5.0
447.21582	2.9
455.24402	8.2
455.29947	1.2
457.32794	3.4
465.22754	35.2
466.23383	1.5
483.23788	100.0
484.23978	7.5
501.24719	31.8
501.31931	15.4
502.25110	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01857	0.7
55.05519	1.3
57.03445	3.0
57.07067	0.3
67.05508	1.6
69.03431	2.0
69.07067	1.0
69.56580	1.2
71.04990	0.4
79.05492	2.2
81.07053	3.7
83.04980	0.7
83.08617	0.4
85.06540	0.5
91.05481	3.7
93.07044	3.0
95.04962	1.8
95.08601	2.5
97.02882	0.2
97.06537	0.8
99.04436	0.5
103.05482	0.6
105.07021	4.2
106.07365	0.3
107.04982	0.8
107.08595	3.3
109.06514	4.4
109.10165	0.8
111.04439	0.2
111.08080	3.6
115.05470	1.0
117.07022	3.2
119.04940	0.5
119.08588	3.3
121.06516	1.8
121.10152	1.6
122.10417	0.3
123.04430	1.5
123.08053	2.4
125.06002	1.2
125.09641	0.6
127.07563	0.2
128.06213	1.1
129.06995	2.6
130.07780	0.3
131.04927	0.5
131.07683	0.4
131.08583	4.1
133.06477	1.6
133.10109	2.4
135.04404	0.5
135.08063	2.3
135.11644	0.7
137.05962	3.2
137.09630	1.0
139.07542	1.8
141.07018	2.0
142.07759	1.1
143.08560	3.9
144.09303	0.8
145.06450	1.5
145.10129	4.5
147.08047	3.4
147.11617	0.6
149.05975	0.7
149.09595	1.6
151.07533	1.2
151.11182	0.4
153.05533	0.4
153.06985	0.6
154.07768	1.5
155.05994	0.3
155.08539	4.5
156.09206	0.5
157.06538	0.8
157.10124	3.0
158.07315	0.3
158.10539	0.2
159.08054	2.4
159.11693	4.3
160.08762	0.4
161.05988	1.0
161.09622	2.3
161.13246	0.4
162.06297	0.3
163.07561	0.8
163.11159	1.1
165.05659	0.4
165.07008	1.0
165.09097	0.6
167.07040	0.8
167.08560	1.3
168.09373	0.5
169.10127	4.9
170.10846	0.5
171.08029	1.8
171.11716	2.0
172.08798	0.5
173.06059	0.4
173.09624	4.8
173.13295	0.6
174.10229	0.3
175.07535	1.3
175.11139	1.4
175.14622	0.3
177.05449	0.3
177.09088	1.6
177.12695	0.5
178.07813	0.5
179.07047	0.6
179.08571	1.4
179.10684	0.7
180.09254	0.6
181.08601	1.0
181.10139	1.8
182.10951	0.5
183.08127	0.6
183.11720	1.9
185.05945	0.3
185.09645	2.0
185.13211	0.8
186.10326	0.4
187.07503	0.4
187.11171	4.7
188.11761	0.4
189.09062	1.5
191.08856	0.3
191.10681	1.1
192.09323	0.7
193.08586	0.3
193.10115	1.2
194.10936	0.4
195.08058	0.8
195.11679	2.4
196.08946	0.4
196.12289	0.3
197.09593	1.6
197.13284	1.1
199.07489	0.6
199.11185	1.0
201.09081	0.9
201.12711	1.1
203.06967	0.5
203.10689	1.4
203.14238	0.4
204.09375	0.5
205.10182	0.7
205.12190	0.6
206.10910	0.6
207.10054	0.3
207.11774	1.6
208.08871	0.4
208.12404	0.5
209.09694	1.2
209.13303	1.9
211.07738	0.3
211.11221	1.9
211.14792	0.7
212.11812	0.4
213.09088	0.7
213.12680	1.2
213.16263	0.3
215.10638	1.0
215.14325	0.5
217.10243	0.4
218.10985	0.3
219.08202	0.3
219.09967	0.4
219.11755	0.9
219.13785	0.5
220.12430	0.5
221.09518	0.7
221.13249	1.5
222.10477	0.4
223.11154	1.4
223.14798	0.7
224.11752	0.3
225.09177	0.4
225.12726	1.0
227.10646	0.6
227.14294	0.9
229.10265	0.6
229.12250	0.8
231.11697	0.7
231.13756	0.5
232.12448	0.4
233.09604	0.5
233.13306	0.7
235.11130	0.9
235.15109	1.2
237.09346	0.6
237.12767	2.5
237.16451	0.4
239.10651	0.6
239.14310	1.0
241.12305	0.6
241.15747	0.4
243.13841	0.6
244.12370	0.5
245.09497	0.3
245.13487	0.5
247.11147	1.0
247.14864	0.7
248.11801	0.5
249.12677	1.0
249.16455	0.7
250.13264	0.4
251.10593	0.3
251.14258	1.0
251.18077	0.3
252.11299	0.3
252.14915	0.4
253.12198	0.8
253.15845	1.0
255.13820	1.0
257.13275	0.3
259.11206	0.3
259.14883	1.2
261.12695	0.3
261.16504	0.4
262.13339	0.4
263.07486	0.3
263.14276	0.7
264.14688	0.4
265.12231	1.0
265.15875	2.0
266.12863	0.3
266.16260	0.3
267.13831	0.9
267.17404	1.0
269.18854	0.3
271.17029	0.4
273.12427	0.3
274.13354	0.3
275.14319	0.4
275.17984	0.7
277.15921	2.0
279.13785	0.7
279.17374	0.7
281.15390	0.8
283.13193	0.3
287.14346	0.5
288.14862	0.4
289.14447	0.5
291.13818	0.4
291.17279	0.5
293.15533	0.5
293.19028	0.7
295.16919	2.9
296.17368	0.3
297.15143	0.3
297.18524	0.6
299.16248	0.5
301.15753	0.4
303.17603	1.2
305.12195	0.3
305.15228	1.2
307.16977	0.6
309.14841	0.3
309.18195	0.3
311.16428	0.3
311.19870	0.6
319.16757	0.6
321.18448	1.6
323.16241	1.3
325.14322	0.3
325.17917	0.6
331.16699	0.8
331.20441	0.5
333.05698	0.3
333.14639	0.3
335.16330	0.3
335.20093	0.5
337.17877	0.4
339.19604	0.7
345.18573	0.6
347.16141	0.4
349.17896	1.5
349.21735	1.1
351.19550	0.3
351.23236	0.4
353.21182	0.5
355.19089	1.0
357.20724	0.3
359.20184	0.7
363.19492	0.4
367.18823	0.8
367.22784	1.1
375.19266	0.3
377.21082	3.2
378.21579	0.3
379.19019	0.4
381.20605	0.3
387.19510	0.6
391.18771	0.4
393.19785	2.0
393.24142	0.4
395.22122	7.7
396.22461	0.4
405.20590	3.1
406.20999	0.3
409.19748	0.4
410.20227	0.5
411.20700	2.3
411.25430	1.4
413.23441	1.2
419.22153	0.9
421.23895	0.6
423.21497	7.0
424.21756	0.3
425.22913	0.5
437.23318	1.4
439.24896	1.3
441.22690	100.0
442.23056	7.1
447.22031	0.6
453.22208	0.4
455.24088	0.5
459.23773	0.4
465.22806	2.1
483.23639	4.9
501.17389	5.2
501.24442	6.5
501.31573	0.3
502.25363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
54.20507	0.6
55.05505	3.0
57.07078	1.1
58.76155	0.5
67.05502	3.5
69.06349	5.1
69.07072	2.4
71.08629	0.9
74.53616	0.6
79.05466	3.0
81.07052	4.6
83.05000	0.8
83.08617	2.2
85.02900	1.0
89.06050	0.8
91.05456	3.1
93.07049	4.4
93.39209	0.6
95.04945	1.0
95.08611	6.6
97.06507	0.6
97.10144	0.7
105.07032	3.7
107.08582	6.1
109.06520	0.7
109.10148	3.3
111.08025	0.6
119.08591	5.5
121.06532	1.7
121.10145	4.8
123.08091	1.2
123.11732	1.4
131.08575	2.8
133.10130	3.8
135.08054	0.8
135.11702	2.5
137.09564	0.8
143.08614	1.5
145.10095	3.6
147.04424	1.3
147.11710	3.0
149.09592	0.7
149.13243	1.2
155.08592	1.1
156.51506	0.6
157.10130	1.4
159.11711	3.2
161.13321	1.6
163.11201	0.9
165.09203	0.7
171.11697	1.6
173.13303	1.9
175.11180	0.9
175.14781	1.3
185.13228	1.7
187.14865	2.1
188.20024	0.6
189.16345	0.8
193.12460	0.7
195.11717	0.7
195.13840	0.6
197.13203	0.6
199.14861	1.9
201.16386	0.7
203.14455	0.6
207.13696	0.6
213.52910	0.6
219.13721	0.6
233.15411	0.7
250.40169	0.5
357.79004	0.7
407.94196	0.6
433.30811	1.1
439.25970	1.1
451.32111	1.2
455.25647	1.2
457.26935	5.1
461.58420	0.6
473.26175	0.7
483.24979	5.0
483.34488	1.1
501.26074	100.0
501.35156	5.5
502.26288	8.4
505.74710	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01706	0.2
55.05513	0.3
69.27464	2.1
70.89683	0.2
71.77830	0.2
78.47834	0.4
83.04958	0.3
89.74869	0.3
95.08627	0.3
98.22578	0.3
99.23277	0.3
100.11309	0.3
195.00327	1.6
222.73384	0.2
230.14835	0.2
357.12643	0.3
370.17621	0.4
386.10501	1.0
387.11276	0.4
397.21216	0.3
404.11343	1.4
417.12149	1.3
419.13934	0.6
420.10693	0.3
435.13373	1.9
439.10736	0.3
439.26065	5.1
440.26093	0.6
447.13132	1.0
457.27145	2.6
459.17822	0.3
462.15665	1.2
477.17810	1.8
480.16928	0.4
483.25009	5.1
484.25485	0.4
495.18994	0.9
501.18573	5.6
501.26050	100.0
502.18939	0.6
502.26392	8.9
519.19110	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
54.81473	1.5
55.01869	2.3
55.05511	8.5
59.04989	2.2
65.03940	1.7
67.05499	19.4
69.03425	2.8
69.07051	4.6
69.47047	10.5
79.05488	9.7
81.03383	3.0
81.07062	18.0
83.04986	11.0
83.08607	2.8
85.06562	3.4
90.53898	1.7
91.05485	16.6
93.07037	27.5
95.04964	6.6
95.08612	39.1
97.06541	3.7
99.04485	1.7
105.07024	24.5
107.04967	2.0
107.08597	19.4
109.06523	13.8
109.10133	9.9
111.04436	6.4
111.08086	5.8
115.05466	3.3
117.07056	9.3
119.04947	2.0
119.08587	23.1
119.09354	2.7
121.06496	9.5
121.10138	11.0
123.08088	11.9
123.11692	3.2
128.06230	3.6
129.07028	8.2
130.07739	2.5
131.08578	14.9
133.06441	2.1
133.10120	11.5
135.04405	2.7
135.08057	11.3
135.11688	4.2
137.05969	5.9
137.09674	1.9
139.07536	3.7
141.06982	2.8
141.09105	2.0
142.07747	4.6
143.08560	15.1
144.09232	1.7
145.06448	3.9
145.10120	20.8
147.08052	6.5
147.11711	7.0
149.09634	4.6
151.11179	2.1
155.07396	2.0
155.08527	12.3
156.09311	4.5
157.10136	16.6
159.08104	8.1
159.11694	12.1
159.79700	1.6
160.08672	1.8
161.09631	9.2
161.13251	4.5
163.07538	3.3
163.11171	2.5
165.07004	4.7
167.08533	4.7
169.01248	1.9
169.10101	11.6
170.10901	2.1
171.08101	9.1
171.11682	10.9
173.09625	10.9
173.13242	4.8
175.07628	2.7
175.11137	7.7
175.14841	3.1
177.09119	2.4
178.07799	1.8
179.08588	6.1
180.09236	2.3
180.27911	2.0
181.10068	9.0
182.10909	2.4
183.08012	6.3
183.11719	10.0
185.05948	1.8
185.09592	6.3
185.13283	6.3
186.10249	1.9
187.07567	2.5
187.11172	6.8
187.14769	2.6
189.09120	2.3
189.12744	6.0
191.08505	2.6
191.10442	1.8
192.09357	4.2
193.10196	7.7
193.11815	2.2
194.10889	3.3
195.08067	5.5
195.11690	13.4
196.08755	1.9
196.12422	3.1
197.09645	4.3
197.13293	10.1
199.07515	2.1
199.11191	6.5
199.14809	3.0
201.09079	5.2
201.12708	3.2
203.10655	2.9
205.10136	5.7
206.10898	3.7
207.11649	13.9
208.12335	2.1
209.09622	8.1
209.13194	10.7
210.10428	2.8
211.07466	2.6
211.11188	6.4
211.14896	3.8
212.11781	2.4
213.09059	2.9
213.12730	9.6
215.10699	4.3
215.14214	1.9
219.11719	6.3
220.12373	3.6
221.13219	10.0
222.10365	2.2
222.14027	2.3
223.11215	10.3
223.14804	7.1
224.11925	2.3
225.09233	2.9
225.12801	10.3
225.16330	3.3
227.10764	3.6
227.14304	5.4
229.12253	3.5
231.11673	4.4
231.13768	3.2
232.12514	3.8
233.09615	2.2
233.13242	5.3
234.13974	3.1
235.11115	6.2
235.14842	6.6
236.11845	2.1
237.12706	6.2
237.16443	6.1
238.13289	2.1
239.10698	3.8
239.14323	6.9
241.12227	8.1
241.15749	1.9
243.13802	3.4
245.13319	3.4
246.13855	2.3
247.11177	3.1
247.14807	5.2
249.12711	4.5
249.16354	4.7
251.10680	4.8
251.14311	4.6
251.17741	2.6
252.11218	1.8
253.12299	9.3
253.19395	2.4
255.13792	1.8
257.15497	2.1
259.13309	5.0
260.11865	2.0
261.12796	3.4
261.16306	7.0
263.14273	5.5
263.17966	3.4
265.12250	3.2
265.15906	2.8
267.13773	6.3
267.17343	1.7
269.15134	2.1
274.13474	2.6
275.14285	4.5
277.15848	2.9
278.16644	2.0
279.13846	5.4
279.17422	8.9
281.15463	2.9
281.18878	2.3
289.15854	6.0
291.13895	3.1
291.17303	3.2
293.15228	5.8
297.18427	2.6
305.15494	3.7
305.19025	4.6
306.16025	2.5
307.16852	12.8
307.19882	2.3
309.18405	3.8
323.20007	2.4
325.17923	6.2
327.19458	4.0
333.18317	7.7
345.20779	6.4
346.20593	1.7
348.20740	4.0
351.19394	5.5
355.43976	1.9
377.24649	2.4
383.23868	2.4
389.21085	18.3
390.21414	2.7
391.26370	3.0
401.24887	8.1
403.26245	6.6
405.24377	2.4
407.21893	2.3
411.23135	2.8
419.25705	23.8
420.26434	2.0
421.23105	3.9
421.27936	3.3
429.24207	29.4
430.24573	4.7
437.26764	13.4
447.25278	100.0
448.25516	10.4
457.32913	11.5
465.26352	86.4
466.26791	10.9
483.27344	35.0
484.27631	2.4
501.28323	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.5
59.08921	1.6
67.05515	10.0
69.03424	2.6
69.07058	3.4
69.09778	13.7
69.10194	3.2
73.16188	1.6
79.05491	5.6
81.07051	8.6
83.04978	7.0
91.05486	12.1
93.07056	16.7
95.04971	3.3
95.08616	25.6
105.07046	19.3
107.08595	13.5
109.06495	6.2
109.10168	5.6
111.04462	3.3
111.08076	3.9
117.07005	4.3
119.08592	12.9
121.06504	6.0
121.10188	8.9
123.08083	8.4
128.06154	2.2
129.06998	6.1
131.08580	10.0
133.06613	2.1
133.10120	7.9
135.08063	3.7
135.11687	3.5
137.71841	1.6
137.94991	1.6
139.07509	4.3
141.06975	2.3
141.09106	1.7
142.07796	4.2
143.07600	1.7
143.08508	9.4
145.06560	2.2
145.10153	11.5
147.08023	4.1
147.11691	4.9
155.08539	5.3
157.10132	10.8
159.08064	7.5
159.11685	6.6
161.09647	4.4
161.13281	3.9
165.07068	3.1
167.08621	4.3
169.10138	7.4
171.08076	7.8
171.11710	8.2
173.09628	3.7
173.13300	2.2
175.11220	4.0
179.08597	4.4
180.09291	2.2
181.10094	7.3
183.08113	2.7
183.11697	7.0
185.06030	3.1
185.09598	6.0
185.13316	3.2
187.07542	2.5
187.11185	4.9
187.14734	1.8
189.12766	4.3
193.10092	5.8
194.10919	1.9
195.11749	9.4
197.09641	6.7
197.13298	6.6
199.11133	3.4
199.14839	2.5
201.09128	2.3
205.10110	4.5
205.12148	2.7
206.10936	2.8
207.11664	6.1
208.12428	2.7
209.09622	7.2
209.13313	8.5
211.11215	5.6
211.14772	3.9
213.12646	3.3
217.10228	2.8
219.11707	4.2
221.09695	2.8
221.13232	7.7
222.13882	2.1
223.11092	8.9
223.14767	4.0
225.09178	4.3
225.12714	9.7
226.13405	2.4
227.10628	3.4
227.14323	2.9
231.11682	2.3
231.13843	3.9
232.12473	2.6
233.13264	3.6
235.11256	6.0
235.14827	4.3
237.12703	4.6
237.16331	3.3
239.10635	4.1
239.14293	3.0
241.12259	5.8
245.13290	2.8
246.14078	4.0
247.11145	3.5
247.14806	4.4
249.12788	5.1
249.16463	3.4
251.10675	3.6
251.14377	2.4
251.17839	2.6
253.12274	12.4
259.14883	2.2
260.11920	2.0
261.12729	5.8
261.16324	5.5
263.14365	3.1
263.17972	3.6
265.12320	2.9
265.15720	3.7
267.13898	3.8
269.15463	2.1
273.12787	2.4
275.14243	4.0
277.12473	2.0
277.15997	3.3
279.13898	5.1
279.17386	6.9
289.15854	5.8
291.17398	3.3
293.15323	4.7
305.15289	2.9
305.18835	2.4
307.16971	9.1
309.18555	3.4
315.17346	2.3
327.19537	7.7
333.18451	6.7
345.20645	6.0
351.19232	2.2
383.23477	2.1
387.22980	2.2
389.21054	4.4
401.24728	6.3
403.26389	4.4
405.24118	4.3
407.21945	1.9
411.23328	4.7
419.25778	9.4
423.27194	1.8
429.24255	27.3
430.24338	3.0
437.27112	2.3
447.25308	100.0
448.25519	9.1
465.26379	39.5
466.26752	3.7
483.27386	10.4
501.28430	29.1
502.28625	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51560	0.7
51.01075	0.7
53.03951	2.0
55.01867	0.8
55.05508	5.1
57.03424	0.9
59.05015	0.9
65.03926	1.5
67.05508	10.7
69.03413	1.7
69.07063	2.4
69.12216	7.4
79.05489	7.1
81.07058	10.0
83.04984	6.5
83.08633	1.1
91.05489	11.3
91.06019	1.6
93.07051	13.4
95.04955	5.5
95.08608	25.4
97.06548	1.8
98.22648	1.8
99.04440	1.4
103.05458	1.3
105.07027	13.6
105.86676	0.8
107.08601	13.0
109.06516	4.9
109.10145	6.5
111.04414	4.4
111.08054	4.2
115.05452	1.4
117.06976	4.4
119.04967	0.9
119.08591	11.0
121.06500	7.2
121.10159	5.7
123.08060	6.9
123.11697	1.0
125.09614	1.1
125.39965	0.8
128.06248	2.9
129.07021	5.3
131.08559	9.8
133.06494	2.3
133.10129	8.4
135.08037	4.3
135.11710	2.9
137.06029	1.5
137.09595	1.3
139.07581	1.4
141.07002	3.3
141.09155	1.8
142.07799	2.3
143.08571	9.2
144.09346	1.2
145.06496	2.4
145.10133	10.1
146.07263	1.0
147.08049	4.5
147.11687	3.8
149.06059	1.0
149.09622	2.7
149.13293	1.5
153.07040	1.5
154.07765	1.2
154.26472	0.8
155.08533	8.2
156.09338	3.3
157.06525	2.5
157.10132	7.9
158.10941	1.0
159.08070	6.4
159.11665	6.9
161.05992	1.1
161.09621	6.6
161.13283	2.5
163.07533	2.3
163.11226	1.8
163.14857	1.0
165.07033	3.3
166.07735	2.1
167.08569	4.2
168.09241	1.1
169.10165	6.2
170.10820	1.2
171.08060	8.1
171.11649	5.2
173.09654	5.8
173.13290	2.3
175.07544	1.8
175.11224	3.8
175.14940	0.9
178.07729	1.7
179.08563	6.1
180.09303	3.5
181.10118	6.5
182.10979	2.3
183.08078	4.0
183.11699	5.9
184.08937	0.9
185.06024	2.4
185.09593	4.0
185.13274	2.5
187.07608	3.0
187.11226	4.3
187.14798	1.0
189.09167	2.3
189.12827	3.1
191.08641	1.0
192.09341	3.4
193.10155	6.9
194.10925	2.3
195.08128	4.1
195.11688	8.3
196.08699	1.2
196.12456	1.2
197.09579	5.2
197.13264	5.3
199.07574	1.0
199.11154	4.5
199.14812	1.2
200.62364	0.8
201.09158	3.2
201.12796	2.6
203.08722	1.0
203.10709	1.3
204.09354	0.9
205.10049	3.8
206.10905	3.4
207.11693	9.0
208.08833	2.4
208.12524	1.9
209.09642	7.2
209.13272	5.2
210.10446	1.8
211.07661	1.3
211.11182	5.9
211.14847	2.7
212.11778	0.9
213.09061	1.3
213.12791	3.5
213.16454	1.0
217.10130	1.9
218.10811	1.4
219.11719	3.7
220.12415	2.0
221.09641	3.7
221.13275	6.3
222.10345	1.6
222.13977	1.2
223.11185	12.1
223.14648	4.2
224.11810	1.2
225.09172	3.7
225.12729	8.5
225.16461	1.3
227.10748	3.4
227.14331	2.7
229.10130	1.0
230.10979	1.0
231.11719	3.0
232.12549	2.8
233.09544	2.0
233.13275	4.7
234.14131	1.1
235.11194	7.7
235.14832	3.7
236.12129	1.5
237.09181	1.6
237.12747	5.5
237.16342	1.4
238.09850	2.3
238.13419	1.2
239.10658	3.2
239.14331	3.4
239.17996	0.9
241.12225	4.9
241.15836	1.1
243.13965	1.2
244.12590	1.5
245.09700	1.8
245.13316	2.1
246.10468	1.9
246.14177	1.9
247.11177	2.0
247.14856	4.7
248.11775	0.9
249.12747	4.5
249.16405	2.7
250.09821	0.8
251.10602	6.9
251.14351	4.2
251.18033	1.8
253.12251	12.6
253.15950	1.6
255.13840	0.9
259.11282	2.1
259.14865	1.7
260.11847	1.9
261.12820	3.3
261.16306	4.0
262.13651	1.6
263.10779	1.0
263.14398	3.1
263.17960	2.7
264.11407	0.9
264.15048	0.9
265.12317	2.3
265.15930	2.8
267.13861	3.6
267.17090	0.8
273.13040	1.1
273.16425	1.4
274.13544	2.3
275.14404	5.6
275.17215	1.2
277.12485	1.2
277.15939	2.3
278.16608	1.0
279.14154	5.0
279.17184	5.4
281.15488	1.4
281.19046	1.4
287.14453	1.6
288.15176	0.9
288.29367	1.1
289.15915	5.6
290.16519	1.3
291.13779	2.3
291.17490	3.2
292.14743	0.9
293.15335	3.2
295.17142	0.9
303.13818	1.1
303.17325	0.9
305.15387	3.7
305.19055	2.0
306.16095	2.0
307.16910	9.9
308.17502	1.5
309.18188	0.9
315.17407	2.1
319.16846	1.4
323.16681	1.1
325.18130	2.0
327.19647	1.9
333.18518	6.7
341.38168	0.8
345.21432	1.1
347.20041	1.1
348.20920	2.3
351.19574	1.8
359.20349	1.1
387.23172	1.8
389.20969	4.2
401.24869	7.4
402.24979	1.3
403.26410	3.4
405.24414	2.4
407.22256	3.1
411.23264	3.8
419.25812	8.8
420.26105	1.3
421.27524	3.1
429.24231	27.2
430.24707	1.7
437.27145	4.7
447.25299	100.0
448.25766	9.3
465.26324	42.9
466.26804	4.0
483.27182	9.0
501.28485	28.1
502.28787	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
55.05513	0.4
61.89021	0.2
67.05507	0.6
67.41438	0.2
69.03432	0.4
69.07043	0.6
70.06586	0.2
71.29123	0.4
73.02904	0.4
79.05502	0.7
81.07063	1.0
83.04984	0.6
85.02902	0.3
91.05486	0.8
93.07051	0.8
95.04975	0.7
95.08607	1.3
99.04466	0.3
105.07054	1.0
107.04952	0.3
107.08613	0.9
109.06538	0.4
109.10163	0.8
111.08086	0.4
117.07022	0.2
119.08604	0.9
121.06536	0.5
121.10175	0.8
123.08067	0.4
123.11713	0.4
125.09648	0.2
129.06943	0.4
131.08566	0.8
133.10123	0.9
135.08057	0.3
135.11717	0.6
137.06061	0.2
137.09653	0.5
139.03911	0.6
143.08514	0.5
145.10146	0.4
147.08096	0.3
147.11725	0.3
153.05402	0.3
157.10179	0.3
159.11734	0.4
163.11061	0.3
169.10132	0.3
173.13271	0.5
181.06522	0.2
189.12790	0.5
201.09271	0.3
203.05412	0.3
321.24210	0.7
339.25134	1.0
483.24005	0.3
501.30319	100.0
502.23346	0.3
502.30646	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3211
Annotation	Officinalic acid
Peak:m/z	Relative Intensity
50.52842	1.4
51.02378	2.1
53.03936	3.6
55.05510	25.1
57.07093	1.6
59.05001	8.8
65.03941	4.2
67.05504	29.6
69.03433	6.1
69.07073	19.7
69.49588	9.1
71.04995	7.2
73.31013	1.5
77.32723	1.7
79.05481	17.5
81.07055	34.0
82.63257	1.8
83.04977	8.4
83.08629	10.9
84.07768	1.9
85.02897	1.6
85.06549	5.3
91.05471	26.5
93.07044	45.5
94.07329	2.0
95.04951	8.9
95.08611	59.8
96.08941	2.5
97.06520	8.6
97.10197	3.4
98.23272	1.7
99.04456	26.6
99.08096	6.6
101.06048	3.6
103.05475	2.8
105.07025	40.9
107.04967	2.5
107.08598	32.0
109.06514	10.6
109.10158	18.6
111.04438	2.6
111.08069	12.4
117.07052	9.0
119.04922	1.6
119.08578	44.7
121.06509	18.6
121.10135	25.4
123.07163	2.9
123.08067	36.0
123.11713	3.7
125.09655	9.3
127.07529	11.8
128.06239	4.9
129.07042	7.7
130.07755	3.5
131.08582	25.3
133.06491	5.7
133.10121	30.0
135.08043	16.2
135.11678	9.5
136.78554	1.8
137.05991	4.3
137.09572	4.1
139.07518	6.2
141.07010	4.9
141.09123	4.1
142.07788	5.4
143.08565	28.1
144.09312	2.5
145.06438	2.8
145.10121	42.1
146.07353	2.4
147.08031	17.3
147.11682	16.6
149.09607	14.0
149.13252	3.1
151.07593	3.0
151.11169	6.4
153.06940	2.4
153.09056	1.7
154.07744	2.3
155.08560	14.1
155.79353	1.6
156.09309	8.1
157.10132	41.7
158.10815	2.1
159.08066	13.2
159.11676	27.8
161.09621	25.4
161.13254	12.7
163.11180	14.5
165.07045	3.9
167.08575	4.5
167.10770	2.6
168.09386	4.7
169.10118	22.2
170.10907	2.4
171.08058	6.2
171.11679	29.0
172.08853	2.7
172.12358	2.7
173.09627	21.9
173.13246	14.6
174.10291	3.0
175.07570	7.0
175.11188	14.5
175.14833	3.9
177.09088	3.8
177.12671	3.9
179.08636	2.8
180.09325	2.5
181.10144	10.2
181.12219	1.8
182.10927	6.4
183.11678	28.1
184.12469	1.7
185.09636	8.1
185.13272	20.6
186.10263	1.9
187.11206	16.3
187.14789	7.1
189.12753	31.3
191.10690	6.0
192.09335	2.7
193.10150	7.2
194.10881	4.1
195.11664	15.3
196.12473	4.1
197.09657	4.3
197.13266	22.4
198.10281	2.7
198.14032	2.3
199.11172	18.7
199.14777	11.3
201.09077	3.0
201.12756	19.4
201.16414	5.4
203.10576	3.6
203.14310	9.3
205.10228	2.1
205.12169	4.3
206.10936	4.1
207.11691	12.8
207.13734	3.2
208.12483	5.9
209.09702	1.8
209.13258	18.2
210.10367	2.1
210.13911	3.8
211.11227	11.0
211.14763	13.6
212.11932	2.2
213.12758	13.4
213.16400	6.1
215.10719	4.4
215.14378	7.4
217.10266	2.0
217.12263	5.6
217.15918	2.6
219.11673	4.4
219.13821	8.8
220.12375	3.4
221.13309	14.5
222.13960	2.3
223.11263	4.7
223.14804	16.6
224.11827	3.1
225.12733	11.6
225.16261	11.4
226.13466	2.6
227.10736	3.5
227.14394	8.6
227.17938	4.5
228.14763	1.8
229.12274	6.6
229.15883	3.7
231.13780	6.3
233.13290	2.3
233.15340	4.8
234.14050	2.4
235.14825	11.9
237.12744	5.6
237.16405	7.8
239.14346	10.6
239.17969	7.4
241.12230	3.5
241.15898	11.6
243.13792	7.1
243.17361	7.8
245.15421	5.5
247.14944	3.2
249.12595	3.2
249.16460	6.2
251.14394	2.8
251.17950	4.5
253.15915	5.7
253.19577	3.0
255.13931	4.1
255.17424	4.5
257.15475	4.2
257.19131	2.0
259.16995	5.7
261.16531	3.5
263.14349	5.1
263.18002	5.4
265.15878	6.6
265.19485	3.9
267.13934	1.7
267.17502	5.8
267.20987	1.7
269.11740	1.7
269.15366	3.0
269.19000	5.6
271.17035	3.4
273.18570	2.5
275.14136	2.0
276.36432	1.8
277.15631	2.6
279.17410	8.9
281.15448	5.9
281.18997	13.9
283.16922	5.5
285.18491	5.0
287.19995	3.2
291.17337	2.4
291.20816	2.6
293.19095	3.6
295.17108	4.0
295.20465	5.3
297.18448	4.0
299.16803	3.0
299.20126	6.2
301.18066	4.9
303.19495	3.0
305.19034	9.1
307.20523	3.2
309.18619	3.2
309.22147	4.1
311.20050	3.4
315.23337	3.8
317.18884	2.3
319.20627	4.8
321.22025	2.5
323.20084	17.5
323.23602	2.6
324.20938	1.9
325.21667	6.7
326.22476	2.7
327.23221	5.1
333.22049	3.7
335.20056	2.3
337.21616	3.6
339.23203	2.6
341.21060	8.5
343.22769	3.7
347.19992	2.5
349.21558	3.3
351.23141	5.5
355.22534	3.2
361.21585	2.7
363.23169	5.9
365.21216	7.9
369.24451	5.5
377.20908	3.4
377.24966	2.1
383.22287	5.8
387.22626	2.5
387.27084	11.6
389.24680	3.1
391.22327	1.8
395.22064	2.6
401.28375	4.9
404.23270	1.7
405.28107	30.0
411.26770	2.6
419.29272	6.1
423.29776	9.1
429.27841	22.2
430.28192	3.2
437.30521	2.8
447.28918	59.2
448.29037	6.0
465.29987	100.0
466.30328	9.7
483.23788	5.4
483.30917	55.7
484.24890	2.1
484.31464	6.5
501.32214	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.321
Annotation	11-Deoxocucurbitacin I
Peak:m/z	Relative Intensity
53.03951	5.6
55.01865	4.5
55.05510	27.9
57.07063	4.8
59.05001	8.6
65.03941	2.0
65.98531	1.6
67.05502	29.5
69.03428	7.3
69.07068	24.4
69.13582	3.3
69.13981	10.5
71.04990	6.1
71.25532	1.5
79.02201	1.8
79.05493	22.4
81.07056	36.3
83.04994	7.7
83.08625	12.1
85.06535	4.5
91.05477	26.9
93.07040	53.8
95.04974	9.5
95.08607	63.4
96.08944	1.7
97.06514	8.0
97.10167	6.8
99.04452	20.7
99.08097	9.6
100.08385	1.6
101.06007	5.2
105.07027	43.4
105.07751	2.2
107.04949	3.8
107.08592	43.7
108.05735	2.3
108.08883	2.0
109.06523	12.6
109.10153	22.6
111.04446	2.3
111.08097	13.9
115.07554	2.5
117.07005	10.0
119.04964	1.9
119.08581	50.6
121.06516	19.4
121.10147	27.9
123.08063	39.4
123.11704	7.1
125.06004	3.1
125.09633	5.9
127.07556	14.2
128.06248	4.0
129.07028	7.5
130.07791	3.4
131.07686	2.4
131.08571	25.1
133.06474	5.2
133.09207	2.5
133.10129	30.7
135.08038	16.2
135.11687	17.0
137.09589	4.1
139.07512	2.1
141.06981	6.2
141.09158	2.7
142.07788	6.3
143.08562	25.2
144.09322	3.5
145.06508	2.3
145.10123	41.1
147.08051	21.3
147.11703	19.7
148.08751	2.1
149.09612	14.9
149.13228	3.4
151.07532	3.5
151.11116	3.5
153.07042	4.0
154.07759	1.7
155.08536	10.5
156.09329	10.9
157.10123	40.7
158.10780	1.9
159.08029	15.3
159.11678	28.0
160.08827	1.6
161.09631	27.5
161.13245	16.6
163.07594	1.7
163.11227	12.5
165.06960	3.1
167.08591	5.0
168.09282	2.5
169.08719	3.1
169.10080	18.2
170.10892	5.0
171.08057	7.6
171.11696	34.3
172.08800	3.0
173.09616	23.1
173.13278	20.9
174.10378	4.7
175.07570	5.5
175.11191	14.6
175.14822	4.5
177.09094	3.9
177.12840	3.3
179.08571	5.0
181.10110	9.7
181.12364	1.9
182.10904	5.7
183.11682	27.1
184.12459	1.8
185.09691	10.2
185.13264	21.0
187.11172	16.4
187.14796	10.4
189.09062	2.5
189.12746	27.9
189.16325	2.3
191.10661	6.9
191.14392	2.0
193.10100	4.0
194.10938	4.3
195.11688	12.4
196.12453	2.6
197.09550	4.0
197.13264	22.2
198.14000	2.8
199.11191	17.7
199.14874	11.0
200.11905	2.4
201.12726	18.2
201.16389	5.2
203.10719	2.5
203.14267	9.8
205.09930	2.5
205.12228	3.2
206.10892	5.1
207.11752	10.2
207.13470	1.8
208.12466	5.4
209.13237	18.4
210.13841	3.2
211.11240	10.1
211.14743	14.2
212.12024	2.8
213.12711	13.9
213.16371	4.2
215.10707	2.0
215.14282	8.4
217.12157	3.7
217.15842	3.6
219.11806	2.9
219.13799	8.6
220.12401	3.2
221.13287	17.3
222.13753	3.9
223.11160	4.9
223.14792	16.1
224.15541	2.4
225.10808	1.8
225.12691	10.4
225.16287	10.3
227.10678	2.2
227.14279	9.3
227.17886	4.0
229.12198	5.1
229.15788	2.8
231.13887	4.9
233.13318	3.5
233.15442	4.2
235.14879	9.2
235.16872	2.5
237.12769	2.3
237.16367	7.2
239.14336	10.9
239.17981	3.6
241.12245	3.6
241.15779	10.0
243.13852	5.5
243.17491	4.0
245.13283	2.2
245.15367	7.6
247.14857	3.1
247.17006	2.3
249.12610	2.4
249.16376	6.1
251.14270	3.4
251.17995	5.4
253.15897	5.7
253.19492	3.9
255.13893	5.5
255.17418	6.4
257.15393	6.5
257.18851	2.7
259.16977	5.5
261.12582	2.1
261.16431	2.0
263.14157	4.3
263.17889	6.0
264.18692	2.3
265.15793	6.0
265.19611	2.2
266.20544	1.7
267.13855	3.0
267.17407	5.7
269.15497	5.0
269.19055	4.8
271.16953	4.2
277.15753	2.8
279.17447	7.3
281.15421	4.5
281.19000	12.6
282.15747	2.0
283.16983	6.1
283.20255	2.1
285.18506	5.8
287.20291	2.1
291.17670	2.3
291.20947	3.2
295.16992	3.7
295.20514	4.2
297.18579	4.1
299.20050	5.7
301.18127	3.9
303.19952	3.1
305.18964	4.3
307.20471	3.3
309.18658	3.8
309.22079	4.2
313.21719	2.4
315.23239	4.0
317.22449	2.1
319.20422	3.6
323.20071	11.7
325.21542	6.2
327.23181	2.9
329.10532	2.2
331.16821	1.9
331.20413	2.6
333.22083	3.1
337.21765	3.8
339.23035	2.3
341.21017	5.5
343.22653	4.6
347.19885	2.6
351.23257	4.8
355.22769	2.1
363.23108	5.1
365.21017	4.3
367.26505	1.9
369.24252	7.8
383.22189	6.1
383.26660	2.0
387.22403	3.4
387.27182	13.0
401.28528	2.3
405.23276	2.6
405.28186	21.9
406.28372	3.8
409.23642	2.1
411.26825	2.5
419.29407	7.1
423.24356	3.2
423.28976	6.0
425.27240	1.9
429.27948	21.0
430.28189	1.9
437.30292	3.8
447.28925	59.1
448.29187	5.4
465.29965	100.0
466.30167	7.9
483.31024	54.8
484.31641	4.2
501.31839	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52842	1.4
51.02378	2.1
53.03936	3.6
55.05510	25.1
57.07093	1.6
59.05001	8.8
65.03941	4.2
67.05504	29.6
69.03433	6.1
69.07073	19.7
69.49588	9.1
71.04995	7.2
73.31013	1.5
77.32723	1.7
79.05481	17.5
81.07055	34.0
82.63257	1.8
83.04977	8.4
83.08629	10.9
84.07768	1.9
85.02897	1.6
85.06549	5.3
91.05471	26.5
93.07044	45.5
94.07329	2.0
95.04951	8.9
95.08611	59.8
96.08941	2.5
97.06520	8.6
97.10197	3.4
98.23272	1.7
99.04456	26.6
99.08096	6.6
101.06048	3.6
103.05475	2.8
105.07025	40.9
107.04967	2.5
107.08598	32.0
109.06514	10.6
109.10158	18.6
111.04438	2.6
111.08069	12.4
117.07052	9.0
119.04922	1.6
119.08578	44.7
121.06509	18.6
121.10135	25.4
123.07163	2.9
123.08067	36.0
123.11713	3.7
125.09655	9.3
127.07529	11.8
128.06239	4.9
129.07042	7.7
130.07755	3.5
131.08582	25.3
133.06491	5.7
133.10121	30.0
135.08043	16.2
135.11678	9.5
136.78554	1.8
137.05991	4.3
137.09572	4.1
139.07518	6.2
141.07010	4.9
141.09123	4.1
142.07788	5.4
143.08565	28.1
144.09312	2.5
145.06438	2.8
145.10121	42.1
146.07353	2.4
147.08031	17.3
147.11682	16.6
149.09607	14.0
149.13252	3.1
151.07593	3.0
151.11169	6.4
153.06940	2.4
153.09056	1.7
154.07744	2.3
155.08560	14.1
155.79353	1.6
156.09309	8.1
157.10132	41.7
158.10815	2.1
159.08066	13.2
159.11676	27.8
161.09621	25.4
161.13254	12.7
163.11180	14.5
165.07045	3.9
167.08575	4.5
167.10770	2.6
168.09386	4.7
169.10118	22.2
170.10907	2.4
171.08058	6.2
171.11679	29.0
172.08853	2.7
172.12358	2.7
173.09627	21.9
173.13246	14.6
174.10291	3.0
175.07570	7.0
175.11188	14.5
175.14833	3.9
177.09088	3.8
177.12671	3.9
179.08636	2.8
180.09325	2.5
181.10144	10.2
181.12219	1.8
182.10927	6.4
183.11678	28.1
184.12469	1.7
185.09636	8.1
185.13272	20.6
186.10263	1.9
187.11206	16.3
187.14789	7.1
189.12753	31.3
191.10690	6.0
192.09335	2.7
193.10150	7.2
194.10881	4.1
195.11664	15.3
196.12473	4.1
197.09657	4.3
197.13266	22.4
198.10281	2.7
198.14032	2.3
199.11172	18.7
199.14777	11.3
201.09077	3.0
201.12756	19.4
201.16414	5.4
203.10576	3.6
203.14310	9.3
205.10228	2.1
205.12169	4.3
206.10936	4.1
207.11691	12.8
207.13734	3.2
208.12483	5.9
209.09702	1.8
209.13258	18.2
210.10367	2.1
210.13911	3.8
211.11227	11.0
211.14763	13.6
212.11932	2.2
213.12758	13.4
213.16400	6.1
215.10719	4.4
215.14378	7.4
217.10266	2.0
217.12263	5.6
217.15918	2.6
219.11673	4.4
219.13821	8.8
220.12375	3.4
221.13309	14.5
222.13960	2.3
223.11263	4.7
223.14804	16.6
224.11827	3.1
225.12733	11.6
225.16261	11.4
226.13466	2.6
227.10736	3.5
227.14394	8.6
227.17938	4.5
228.14763	1.8
229.12274	6.6
229.15883	3.7
231.13780	6.3
233.13290	2.3
233.15340	4.8
234.14050	2.4
235.14825	11.9
237.12744	5.6
237.16405	7.8
239.14346	10.6
239.17969	7.4
241.12230	3.5
241.15898	11.6
243.13792	7.1
243.17361	7.8
245.15421	5.5
247.14944	3.2
249.12595	3.2
249.16460	6.2
251.14394	2.8
251.17950	4.5
253.15915	5.7
253.19577	3.0
255.13931	4.1
255.17424	4.5
257.15475	4.2
257.19131	2.0
259.16995	5.7
261.16531	3.5
263.14349	5.1
263.18002	5.4
265.15878	6.6
265.19485	3.9
267.13934	1.7
267.17502	5.8
267.20987	1.7
269.11740	1.7
269.15366	3.0
269.19000	5.6
271.17035	3.4
273.18570	2.5
275.14136	2.0
276.36432	1.8
277.15631	2.6
279.17410	8.9
281.15448	5.9
281.18997	13.9
283.16922	5.5
285.18491	5.0
287.19995	3.2
291.17337	2.4
291.20816	2.6
293.19095	3.6
295.17108	4.0
295.20465	5.3
297.18448	4.0
299.16803	3.0
299.20126	6.2
301.18066	4.9
303.19495	3.0
305.19034	9.1
307.20523	3.2
309.18619	3.2
309.22147	4.1
311.20050	3.4
315.23337	3.8
317.18884	2.3
319.20627	4.8
321.22025	2.5
323.20084	17.5
323.23602	2.6
324.20938	1.9
325.21667	6.7
326.22476	2.7
327.23221	5.1
333.22049	3.7
335.20056	2.3
337.21616	3.6
339.23203	2.6
341.21060	8.5
343.22769	3.7
347.19992	2.5
349.21558	3.3
351.23141	5.5
355.22534	3.2
361.21585	2.7
363.23169	5.9
365.21216	7.9
369.24451	5.5
377.20908	3.4
377.24966	2.1
383.22287	5.8
387.22626	2.5
387.27084	11.6
389.24680	3.1
391.22327	1.8
395.22064	2.6
401.28375	4.9
404.23270	1.7
405.28107	30.0
411.26770	2.6
419.29272	6.1
423.29776	9.1
429.27841	22.2
430.28192	3.2
437.30521	2.8
447.28918	59.2
448.29037	6.0
465.29987	100.0
466.30328	9.7
483.23788	5.4
483.30917	55.7
484.24890	2.1
484.31464	6.5
501.32214	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3578
Annotation	Pisonolic acid
Peak:m/z	Relative Intensity
52.18456	2.2
55.05516	19.2
57.07079	4.9
65.03947	2.6
67.05508	38.6
68.85941	2.4
69.03421	2.9
69.07067	15.7
79.05487	20.5
81.06579	3.6
81.07060	62.3
83.04977	8.5
83.08625	6.4
85.06552	4.1
91.05477	29.9
93.07042	57.0
94.07386	2.9
95.04972	9.4
95.08611	100.0
97.06523	8.4
97.10161	5.3
98.23545	3.6
99.08112	2.8
101.06023	4.3
105.07040	45.1
107.08599	63.1
109.06529	6.5
109.10163	47.3
111.08083	7.7
113.06003	5.2
117.07011	6.9
119.08579	49.2
121.06518	6.0
121.10155	44.0
123.08073	9.9
123.11716	28.4
125.09618	4.4
128.13847	2.3
129.07040	3.7
131.08560	19.8
133.06500	4.1
133.09203	3.8
133.10136	44.1
134.10577	2.5
135.08020	4.4
135.11700	25.6
137.09608	3.2
137.13284	4.3
139.07570	2.6
139.11113	3.3
141.09105	4.0
142.07813	2.5
143.06964	2.6
143.08583	8.0
145.10136	25.1
147.08029	9.0
147.11687	31.4
149.09650	4.8
149.13240	11.1
153.09058	2.7
157.10126	9.5
159.07993	3.5
159.11716	24.7
161.09639	16.8
161.13260	38.9
163.07632	2.5
163.11148	5.5
163.14812	10.7
165.09120	5.4
169.10265	3.0
171.11711	10.7
173.09674	3.2
173.13261	17.6
175.11244	10.3
175.14824	15.1
177.16393	3.6
179.10657	4.9
183.11710	3.8
185.13258	3.7
187.11270	2.4
187.14775	11.8
189.12723	3.9
189.16364	11.8
191.10675	3.0
193.12253	7.4
197.13353	2.8
199.14809	5.6
201.12718	4.6
201.16399	8.6
203.14333	7.5
203.17871	4.3
205.12306	3.3
205.15915	2.8
207.13914	4.1
213.16370	3.5
215.14333	6.6
217.15883	9.0
219.13911	2.8
221.15349	7.6
229.15884	6.9
231.13861	2.7
231.17648	3.1
232.90131	2.3
233.15413	3.5
235.17047	14.0
247.16940	16.1
261.18445	6.7
265.17911	4.9
373.27176	2.4
409.87729	2.6
423.32397	3.0
433.31030	5.6
437.34128	2.5
451.31909	2.4
455.35284	3.5
483.34515	7.7
484.35086	3.6
501.35333	35.9
502.36084	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.357
Annotation	Serjanic acid
Peak:m/z	Relative Intensity
53.67186	3.3
55.05502	13.2
57.03429	3.9
58.77312	3.4
63.31116	3.5
67.05502	27.6
69.07068	10.9
69.18149	4.2
69.18546	21.4
69.32474	3.3
70.68673	3.3
71.04961	3.9
74.40314	3.7
79.05501	20.5
81.03411	6.8
81.07058	47.5
83.04951	4.4
83.08601	8.1
83.45300	3.1
91.05478	19.3
93.07034	39.8
93.12740	3.5
95.04926	7.7
95.08608	86.4
97.06508	8.4
98.22552	3.5
105.07023	42.1
106.78990	3.6
107.04929	4.9
107.08591	52.5
109.06553	4.9
109.10162	38.0
111.08052	6.2
113.06005	3.6
117.07000	9.6
119.08576	61.7
121.06485	5.9
121.10149	42.2
123.08047	18.3
123.11688	17.7
125.09603	4.7
127.94633	3.6
129.06950	4.6
131.08557	17.1
133.10132	41.0
135.08107	8.5
135.11658	23.0
137.09552	6.3
143.08580	9.4
145.10121	35.1
147.07993	7.0
147.11682	31.1
149.09627	7.1
149.13245	9.5
156.09419	3.4
157.10123	15.6
159.08046	3.6
159.11681	34.7
161.09584	13.4
161.13251	44.7
163.11116	6.1
163.14803	7.0
165.09093	3.0
169.10107	5.9
171.11668	18.4
173.09526	5.9
173.13260	26.9
175.11177	10.9
175.14815	22.3
177.12747	7.0
181.12158	6.7
183.11713	5.3
185.13264	9.3
187.11180	5.1
187.14764	21.0
189.12726	7.6
189.16388	10.9
193.12175	5.8
197.13261	4.3
199.11134	3.9
199.14838	9.1
201.12752	4.7
201.16338	10.9
203.14348	5.9
211.14819	4.4
213.16344	7.0
215.14223	9.5
217.15799	9.3
219.13815	4.5
221.15431	5.8
229.15894	7.2
231.17453	3.8
233.15331	8.2
235.16898	12.7
245.15460	4.4
247.16928	11.8
249.18631	7.1
261.18527	5.1
271.65079	3.6
350.88089	3.4
362.78796	3.8
405.31454	3.8
423.32321	4.3
433.30975	5.7
451.31943	9.2
455.35068	5.1
473.23666	4.6
483.34375	10.8
501.23691	35.7
501.35565	100.0
502.23065	6.1
502.35910	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.3
54.40963	2.7
55.05511	19.9
67.05507	34.3
69.02598	31.1
69.03407	3.4
69.07079	19.7
71.05022	4.0
79.05493	23.9
81.07055	65.5
83.05004	4.2
83.08621	7.0
91.05484	29.0
93.07046	56.2
95.04965	7.9
95.08611	100.0
95.09220	4.9
97.06537	13.9
97.10169	7.2
99.04474	11.5
99.08106	5.3
101.06068	4.2
105.07032	54.1
105.07668	4.9
107.08595	64.4
109.06529	14.1
109.10152	38.1
111.08088	10.8
115.07582	4.3
117.07024	9.5
117.82960	3.4
119.08589	54.5
121.06528	10.5
121.10156	55.8
123.08085	25.4
123.11736	16.7
125.09669	5.4
129.07034	5.1
129.09064	3.2
131.08548	18.9
133.10133	52.0
135.08040	12.7
135.11708	27.9
137.09637	6.9
137.13283	5.8
142.07733	3.7
143.08557	12.8
143.10696	3.2
144.09335	4.2
145.10123	37.1
146.75238	3.2
147.08052	7.3
147.11694	29.3
149.09637	10.4
149.13245	10.5
152.17888	3.0
155.08549	6.4
157.10123	24.8
159.08093	6.2
159.11705	33.0
161.09659	23.0
161.13232	28.3
162.13567	3.6
163.11206	13.7
163.14810	4.8
165.12767	3.6
167.08603	3.7
169.10114	9.6
171.11691	19.3
173.09660	9.5
173.13272	28.2
175.11197	17.5
175.14796	15.9
177.09128	5.6
177.12724	4.2
177.16365	4.0
179.10806	3.2
181.10143	3.1
183.10202	4.0
183.11740	11.1
185.13284	12.6
187.11235	5.0
187.14816	16.0
189.12761	13.0
189.16405	8.2
191.14464	3.6
191.17850	3.2
193.10204	3.8
195.11690	5.1
195.13785	8.2
197.13312	9.8
199.11256	5.0
199.14862	13.8
201.12717	9.3
201.16458	4.6
203.14355	8.7
203.17970	4.8
205.12248	4.6
207.11821	4.9
209.13350	7.5
209.15276	4.9
211.11191	4.9
211.14905	5.6
211.36717	3.6
213.12918	4.3
213.16449	11.0
215.14407	10.9
217.15880	5.9
219.13826	6.5
221.13280	7.4
221.15411	8.7
223.14865	10.3
227.14326	4.1
229.15915	6.8
231.13760	4.1
231.17448	4.8
233.15503	9.7
235.16908	15.8
237.16611	3.8
243.17468	5.3
247.17012	11.6
249.18588	5.0
261.18497	4.4
288.82953	3.2
323.20007	6.7
373.27414	5.0
375.49072	3.2
405.27881	6.9
423.32925	4.4
433.30679	5.2
447.28818	11.3
451.31769	3.7
455.35254	5.6
465.29602	32.1
483.29953	5.9
483.35193	9.2
501.34863	12.1
522.74994	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.7
55.01871	3.5
55.05512	29.8
57.07084	14.4
59.05005	4.2
65.03944	5.1
67.05502	41.8
69.03439	3.3
69.07067	40.5
69.19283	19.1
70.06579	5.5
71.05002	5.4
71.08631	3.0
73.06571	4.1
75.12076	2.7
79.05491	39.4
81.03424	4.8
81.07060	76.5
83.04978	17.2
83.08619	16.9
85.02921	3.0
85.06548	7.0
85.10180	3.3
91.05481	44.0
93.07046	82.0
95.04951	8.5
95.08608	95.2
97.06525	12.8
97.10172	7.6
99.04456	3.2
99.08080	3.5
105.04488	3.1
105.07030	65.2
107.08595	100.0
109.06515	31.0
109.10155	43.4
109.10822	4.2
111.04480	3.9
111.08111	11.7
113.09653	5.8
115.07568	47.1
117.07007	15.5
119.08585	76.8
121.06505	10.5
121.10144	85.7
123.08115	5.0
123.11701	25.5
125.06016	4.7
125.09637	7.7
127.07571	6.4
129.07001	8.1
129.09145	8.2
131.08566	38.3
132.10178	3.2
133.06532	4.0
133.10130	55.8
135.08069	12.9
135.11705	44.0
137.05986	7.6
137.09660	8.8
137.13225	5.1
139.07573	11.7
141.05444	2.8
141.09045	3.4
142.07837	4.7
143.08571	17.9
143.10724	3.5
144.09415	4.1
145.10123	54.7
147.08078	11.5
147.11684	51.9
149.09596	14.9
149.13257	27.4
151.11053	3.8
153.09117	12.6
155.07018	12.3
155.08513	8.6
156.09377	4.3
157.08719	8.4
157.10146	26.9
159.08037	3.8
159.11716	44.3
161.09624	13.2
161.13272	38.9
163.11200	13.7
163.14842	12.2
165.09143	6.6
167.10696	8.3
169.10161	12.1
171.10202	6.9
171.11699	23.7
173.09669	4.0
173.13283	35.4
175.11191	12.9
175.14825	29.0
177.12830	8.2
177.16391	4.6
179.10773	7.7
181.10382	3.5
181.12238	18.9
183.11719	12.5
185.13229	16.7
187.09677	5.0
187.11217	7.1
187.14824	32.3
189.12729	7.1
189.16391	11.9
191.10728	4.4
191.14368	7.9
193.12218	4.3
195.11819	5.5
195.13831	8.1
197.13284	9.4
199.14790	15.4
201.12720	16.6
201.16402	12.4
203.14311	8.5
205.12183	4.2
205.15948	6.0
207.13792	6.2
209.13345	6.8
209.15392	13.0
211.14815	9.6
213.12752	7.9
213.16437	11.1
215.14366	11.8
215.17906	6.8
217.15892	8.5
219.00320	3.8
219.13879	8.0
219.17438	6.6
221.15450	5.3
223.14838	7.1
225.16380	4.8
227.14366	4.8
229.15953	6.1
231.17415	7.0
233.15399	11.0
235.16925	15.7
244.22708	10.0
245.15291	5.8
245.23079	9.0
247.16978	10.6
249.18456	7.1
259.16946	10.7
261.18518	5.0
269.19144	4.1
270.66382	3.3
273.18671	4.2
283.26331	9.1
284.26746	12.5
287.19968	3.9
329.24677	7.0
393.49194	3.1
395.29626	3.5
399.32895	4.5
415.29852	4.5
423.32605	11.5
433.31128	7.7
441.29630	8.9
447.28378	7.7
451.32068	10.2
465.29724	8.4
483.34595	13.9
498.73370	3.6
501.28442	6.6
501.35532	28.0
501.47128	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3576
Annotation	Serjanic acid
Peak:m/z	Relative Intensity
53.03949	7.5
55.01884	5.3
55.05511	20.7
57.03441	3.6
57.07079	6.2
65.03933	6.1
67.05219	4.7
67.05512	43.5
69.07061	23.1
69.10956	33.5
74.61875	3.0
77.20348	3.2
79.05491	46.6
81.07062	81.7
83.05000	9.0
83.08194	3.4
83.08637	13.2
86.31751	3.1
91.05476	48.1
93.07047	85.2
95.04986	6.9
95.08609	98.5
97.06538	10.7
98.22569	7.4
99.33192	3.9
103.05540	3.4
105.07037	73.4
107.08601	93.8
109.06503	9.0
109.10159	49.8
111.08121	7.4
115.07594	3.6
117.07015	16.3
119.08585	100.0
119.09457	5.7
121.06465	6.1
121.10141	78.2
123.08085	19.3
123.11697	18.3
129.07016	7.7
130.07787	5.6
131.08557	34.5
133.06485	4.7
133.10120	64.3
135.08096	14.2
135.11699	40.4
137.13281	4.0
143.08530	21.4
144.09375	4.0
145.10126	49.5
147.08041	9.1
147.11696	46.5
149.09666	16.6
149.13286	15.0
155.08560	4.8
156.09319	6.9
157.10127	22.0
158.30733	3.4
159.08087	4.6
159.11688	42.5
161.09641	13.3
161.13268	42.7
163.11172	14.8
163.14824	11.7
167.10699	5.2
169.10085	5.7
170.10834	3.4
171.11717	14.8
173.09628	7.9
173.13245	35.0
174.13686	4.1
175.11223	18.4
175.14871	20.3
177.12767	4.8
177.16379	4.7
181.12262	4.5
183.11746	7.1
185.09801	4.0
185.13318	13.7
187.14825	26.1
189.12828	6.6
189.16415	15.7
191.14349	6.3
193.12192	4.1
193.15796	4.1
195.13774	8.2
197.13359	6.0
199.11108	5.3
199.14827	12.7
201.12785	6.0
201.16377	10.4
203.14339	9.8
205.15956	5.6
211.14900	4.6
213.16302	7.7
215.14371	10.5
217.15944	9.4
219.13838	6.4
219.17328	3.9
221.15402	4.4
223.16989	6.3
229.15927	10.8
231.13763	4.4
231.17485	9.1
233.15421	9.5
235.16943	10.5
237.18620	4.9
238.14218	3.6
239.17967	3.8
245.15479	6.7
247.17000	9.9
249.18517	8.3
259.16943	3.9
263.20123	7.1
304.99203	3.4
308.35245	3.5
423.32742	4.8
433.30890	14.9
441.33817	4.8
451.31955	12.2
455.35181	5.5
469.33035	8.4
483.34549	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3572
Annotation	Serjanic acid
Peak:m/z	Relative Intensity
53.03946	4.5
55.01881	4.6
55.05516	28.9
57.03439	5.1
59.04984	3.0
65.03938	5.0
65.59665	3.3
67.05508	33.2
69.03437	13.8
69.07069	27.2
71.04981	2.5
71.08631	2.7
71.31206	4.2
73.06560	3.4
79.05499	24.8
81.07058	51.7
83.04968	10.0
83.08631	10.9
84.72993	2.8
85.06570	6.5
91.05476	24.8
93.07046	50.2
95.04958	9.1
95.08607	76.6
96.08950	3.7
97.06532	26.9
97.10181	8.1
99.04483	4.4
99.08092	4.5
101.06020	8.0
101.38358	3.0
105.07040	43.1
107.04956	3.5
107.07880	3.1
107.08596	59.7
109.06516	7.0
109.10154	46.3
110.10484	4.0
111.08085	13.1
113.05976	3.1
113.09698	4.0
115.03934	4.0
115.07591	10.9
117.06998	7.7
119.04956	7.5
119.08591	60.3
121.06509	7.7
121.10146	43.2
123.08076	15.4
123.11706	17.2
123.27503	2.8
125.09637	21.3
125.86574	2.6
128.06267	4.3
129.07018	6.0
131.08582	21.6
131.09439	3.8
133.10126	48.6
134.10463	4.4
135.08086	10.9
135.11684	23.4
137.09642	5.6
137.13223	3.8
139.07539	6.3
139.11162	5.4
141.09109	3.5
143.08597	8.3
143.10649	4.0
145.10130	34.5
146.31064	2.8
147.04410	32.4
147.08070	7.0
147.11700	25.7
149.09587	12.8
149.13309	8.7
151.11180	13.8
155.08611	4.0
155.10698	3.3
157.10114	23.0
157.12222	4.5
159.08067	2.9
159.11690	29.5
161.09595	13.2
161.13260	26.5
163.11215	15.6
163.14833	10.0
165.12773	3.3
169.10100	7.2
171.11699	11.5
173.09656	7.7
173.13245	25.1
175.11153	18.4
175.14804	17.3
177.12776	5.2
179.10689	7.7
181.12181	6.6
181.15868	6.7
183.11710	8.0
185.13257	11.1
186.68103	3.3
187.11227	8.0
187.14844	15.5
189.12888	5.7
189.16438	10.8
191.14326	6.6
193.12231	7.3
195.13766	4.5
197.13309	7.9
199.11195	3.7
199.14847	11.0
201.12831	5.1
201.16367	6.2
203.14409	6.3
207.13834	6.0
209.13501	3.3
209.15416	6.4
211.14871	5.3
213.16423	5.5
215.14391	7.2
217.12419	3.8
217.15887	12.8
219.02617	42.3
219.04506	4.5
219.13795	5.8
221.15292	5.5
223.14810	5.5
227.14304	3.8
227.17981	4.1
229.15869	8.4
231.13780	3.7
233.15427	8.5
235.16975	10.3
243.17339	3.8
247.16916	14.4
249.18553	12.6
254.92070	3.7
261.18588	5.2
283.20511	3.2
309.22232	4.0
315.23267	7.5
325.21494	6.8
367.87204	3.2
400.55600	3.2
419.17221	3.4
423.32681	3.9
433.31143	10.6
441.33560	6.5
451.31976	8.8
469.33090	7.3
483.34460	9.9
501.36359	100.0
502.35696	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.9
55.01871	4.7
55.05513	66.5
57.03440	39.9
57.07079	53.4
65.03923	2.8
67.05505	73.7
69.03458	2.8
69.07068	91.0
71.05001	4.0
71.08633	40.5
73.06551	4.1
75.04485	11.8
79.05495	31.5
81.07058	92.4
83.04984	5.8
83.08622	66.8
85.06549	5.8
85.10186	22.1
91.05480	5.3
93.07048	37.2
95.05003	2.5
95.08609	100.0
97.06530	19.5
97.10174	45.0
98.22538	3.0
99.08110	2.0
99.11713	2.3
101.06008	3.6
105.03429	3.3
105.04480	1.6
105.07054	5.1
107.08591	31.9
109.10158	45.2
111.08086	13.6
111.11714	16.2
113.06013	4.0
115.07584	3.1
119.08575	5.0
121.10143	38.8
123.11709	20.6
125.09632	12.8
125.13261	4.8
129.09132	4.0
131.07079	5.2
131.08586	2.3
133.10136	3.9
135.11697	29.8
137.13280	9.3
139.11162	10.6
143.10690	2.1
145.10143	3.1
147.08040	1.5
147.11667	3.1
149.13248	19.9
151.14848	2.0
153.12723	8.4
157.12273	4.3
159.11766	2.8
161.13260	4.2
163.14850	11.2
164.93048	1.6
165.16380	1.6
167.14354	6.0
171.13901	1.9
175.14951	1.6
177.16470	7.9
181.15871	5.6
185.15399	3.4
191.17934	3.6
194.38046	1.5
195.17467	4.9
199.16956	2.3
205.19518	2.4
209.19014	2.1
213.18535	2.4
223.20564	3.5
227.20058	2.0
237.22136	4.4
241.21460	2.2
251.23759	1.9
255.23219	1.9
273.37045	1.4
289.28925	11.9
299.27292	1.7
307.29990	20.8
317.28412	15.2
325.31076	1.9
335.29428	40.0
361.20816	1.7
371.31564	75.1
372.31863	3.7
409.33133	42.6
409.37497	1.2
410.33670	2.9
427.34164	55.8
428.34802	3.9
483.36758	16.0
501.37875	37.1
502.38284	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01864	2.9
55.05513	17.9
57.03424	2.6
57.07072	5.1
59.05005	2.3
64.87457	1.1
67.05505	31.3
69.03463	1.3
69.07066	32.3
69.28709	8.4
71.04999	3.0
73.06552	4.4
73.39079	1.3
79.05492	23.4
81.03421	1.5
81.07056	57.7
83.04977	3.7
83.08616	16.0
85.06540	3.9
88.37957	1.1
91.05480	14.3
93.07038	42.1
95.04948	2.2
95.08603	100.0
96.08926	1.5
97.06541	4.6
97.10144	10.6
99.04433	1.2
99.08093	3.6
101.06027	1.4
105.04513	1.3
105.06369	2.6
105.07027	29.9
105.07745	1.7
107.08593	63.6
108.08945	1.5
109.06528	12.2
109.10157	55.0
109.10913	2.7
110.07564	1.1
111.04429	1.6
111.08080	6.7
111.11709	5.5
113.06020	1.5
113.09599	1.9
115.05515	1.8
115.07595	1.9
117.07019	4.9
119.08577	39.0
121.06458	2.7
121.10140	57.3
123.08059	5.3
123.11712	24.3
125.09666	2.4
127.07567	1.9
129.06955	2.7
129.09116	5.4
131.08575	8.9
133.06581	1.4
133.10117	36.5
134.10329	1.5
135.08052	6.1
135.11690	28.1
137.09610	4.6
137.13263	7.5
139.07516	2.1
139.11145	2.1
141.09122	1.4
143.08557	5.0
143.10614	2.1
144.09402	1.4
145.10139	14.9
147.08070	5.7
147.09068	1.2
147.11693	22.3
149.09639	9.6
149.13255	14.6
151.11174	1.6
151.14824	1.9
153.09113	1.4
155.07022	4.0
155.10648	3.3
157.10162	8.7
158.10774	1.2
159.11696	14.9
160.12022	1.3
161.09552	8.6
161.13263	13.5
163.11174	12.3
163.14801	10.0
165.12686	1.2
167.10696	6.7
169.10054	1.9
171.11699	7.9
173.09637	2.4
173.13275	12.9
175.11188	15.6
175.14824	16.5
176.59767	1.2
177.12762	5.3
177.16383	5.4
179.10715	2.6
179.14319	1.4
181.12273	5.7
183.11679	3.7
183.13925	1.3
185.09644	1.3
185.13249	6.5
187.11093	2.7
187.14783	5.9
189.12712	4.7
189.16383	9.7
191.10818	1.3
191.14345	4.3
191.17952	2.9
193.12244	3.8
193.15787	2.0
195.11987	1.4
195.13800	10.9
197.13263	3.2
199.14787	4.7
201.12766	2.8
201.16423	4.8
203.14331	2.1
203.17947	5.4
205.15897	3.7
205.19527	1.6
207.13834	4.3
209.13463	2.6
209.15381	6.7
211.14824	3.4
213.16397	2.6
215.14325	2.1
215.17941	4.0
217.15959	6.0
217.19542	1.9
219.13680	1.3
219.17488	4.9
221.15361	2.0
223.14926	2.4
223.16927	8.3
225.16255	1.5
227.17883	2.9
229.15773	1.7
229.19485	2.8
231.17435	4.9
233.15460	2.2
233.18929	2.8
235.16838	6.1
237.18500	11.3
245.15218	1.7
245.19003	2.2
247.16901	3.8
249.18477	11.3
251.17761	2.3
251.20042	20.6
257.18851	1.5
259.20526	1.3
263.20056	25.3
265.21631	2.8
273.18451	1.3
277.21686	7.4
287.19928	1.7
289.21631	1.5
291.23254	2.7
311.23541	1.7
317.24466	1.3
329.24716	4.5
335.22839	1.3
339.26706	1.4
343.26071	2.0
409.30695	1.4
423.36050	1.9
447.29205	3.1
451.35541	5.1
455.39230	1.6
465.29971	2.5
465.37421	2.3
483.31277	3.7
483.38263	8.1
501.33987	9.1
501.39493	5.6
501.47131	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01869	1.4
55.05509	19.5
57.03442	2.0
57.07064	4.4
59.04996	2.9
63.12750	1.2
63.49245	1.2
65.03922	1.7
67.05505	31.5
69.07066	30.9
69.39391	1.3
69.58399	3.1
69.58781	2.9
71.05006	1.5
73.06542	3.1
79.05490	27.3
79.55288	1.3
81.03421	1.5
81.07052	53.1
83.04967	3.5
83.08619	15.7
85.06526	3.1
91.05473	19.2
93.07042	45.7
95.04977	3.4
95.08602	100.0
96.08945	2.8
97.06513	5.0
97.10129	6.6
99.08083	3.1
105.07026	30.1
106.07368	1.8
107.04964	1.6
107.08592	68.0
108.08934	2.1
109.06517	8.6
109.10149	52.0
111.08102	7.1
111.11726	4.6
113.09608	1.3
115.07565	2.7
117.06984	4.9
119.08576	40.7
121.06530	3.6
121.10138	61.6
121.91414	1.3
123.08060	4.0
123.10812	1.5
123.11699	25.6
125.09643	1.9
127.07539	1.5
129.06998	1.8
129.09125	3.6
131.08540	8.7
133.06490	2.5
133.10130	36.0
135.08038	7.1
135.10696	1.6
135.11697	28.1
137.05971	2.0
137.09625	3.4
137.13260	8.2
138.09120	2.8
139.11139	2.3
141.09142	1.4
143.08540	3.7
143.10728	1.8
145.10136	16.7
147.08022	5.8
147.11676	23.6
149.08572	1.5
149.09598	9.4
149.13258	15.1
151.11203	3.0
151.14847	1.8
153.09085	2.1
155.07001	3.0
155.08539	2.3
155.10669	4.3
157.10123	6.2
157.12241	1.8
159.11714	11.5
161.09605	8.9
161.13254	12.8
162.86497	1.1
163.11212	11.2
163.14841	7.9
165.12741	1.8
167.10683	4.7
169.10135	2.5
171.11714	6.3
173.09612	1.8
173.13229	11.1
175.11217	12.8
175.14812	15.2
177.12756	4.1
177.16396	7.4
179.10559	1.3
179.14174	1.6
180.10179	4.2
181.12218	5.4
183.11661	2.9
185.09624	1.3
185.13185	3.7
187.11127	1.6
187.14777	4.7
189.12749	5.1
189.16347	10.5
191.14313	4.7
191.17989	2.3
193.12260	2.8
193.15898	3.5
195.11980	2.5
195.13818	10.0
197.13274	3.0
199.14886	3.5
201.12732	2.0
201.16403	3.6
203.14282	2.6
203.17987	4.3
205.15744	1.9
205.19435	1.7
207.13760	3.2
209.13486	1.6
209.15392	3.4
213.16396	3.0
215.14304	1.9
215.17929	3.5
217.15848	4.4
217.19505	3.0
219.13962	1.7
219.17453	4.9
221.15311	1.9
223.16881	6.1
225.16435	2.4
225.18440	1.3
231.17390	4.8
233.15375	2.6
233.19112	2.3
235.16890	3.1
237.18500	13.1
245.19145	1.9
247.16907	2.0
249.18538	15.3
251.20027	22.3
259.20407	1.8
261.18488	1.6
263.20023	24.9
265.21735	1.8
269.18945	1.7
277.21606	8.1
291.23468	1.9
311.23743	1.8
327.23566	1.5
329.24805	1.9
345.27872	1.9
371.29517	2.0
451.35587	5.1
465.30524	1.8
465.37100	3.0
483.31516	2.4
483.38101	10.6
501.34787	25.2
502.35095	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.0
54.32515	2.1
55.01859	3.4
55.05511	42.4
56.51643	2.6
57.07068	7.0
59.04995	3.3
67.05507	24.6
69.03425	19.9
69.07066	39.4
71.04970	4.1
71.08647	3.2
73.06561	6.9
79.05492	26.5
81.07056	46.9
83.04980	5.3
83.08618	18.0
83.81064	2.2
85.06569	5.8
91.05488	19.2
93.07047	47.0
95.04973	4.9
95.08603	64.5
97.06541	19.7
97.10177	26.5
98.22550	5.8
99.08113	4.9
105.07024	34.1
107.07863	5.0
107.08592	90.0
109.06525	8.9
109.10151	42.8
111.08078	13.7
113.09657	6.3
115.07546	15.4
117.07035	4.9
119.08580	39.0
121.06516	4.6
121.10139	64.9
122.10498	2.7
123.08096	6.0
123.11694	22.6
125.09626	38.4
129.07027	5.1
129.09094	6.5
131.08562	19.9
133.10123	35.5
135.08072	5.0
135.11684	29.1
137.09605	4.1
137.13254	10.9
139.11189	7.5
141.09094	8.2
142.07809	3.1
143.08549	8.2
143.10706	5.0
145.10114	25.1
147.08054	3.5
147.11694	25.3
149.09615	7.2
149.13240	11.4
151.14830	2.8
155.08551	2.6
157.10120	15.8
157.12201	4.1
159.11716	22.6
161.09641	11.4
161.13264	14.1
163.11212	9.5
163.14819	100.0
164.15125	2.7
165.12646	2.6
169.10194	4.9
169.12242	3.0
171.11661	12.8
173.09645	5.1
173.13203	19.4
175.11198	17.7
175.14821	13.8
177.12773	4.1
177.16449	3.0
181.10178	3.6
181.12273	7.8
181.15834	34.0
183.11719	6.0
185.09673	3.9
185.13284	10.6
187.11154	5.0
187.14812	13.7
189.16371	7.2
191.14293	3.1
191.17920	5.0
193.12231	8.6
195.11787	3.7
195.13809	4.7
197.13264	8.2
199.11215	4.9
199.14890	14.7
201.12833	6.2
201.16397	6.9
203.14273	3.4
203.18082	2.8
205.15858	2.4
207.13765	4.4
209.13351	4.0
209.15273	5.3
213.12738	5.8
213.16354	3.0
215.14397	7.1
217.15848	13.0
223.14830	6.0
225.16452	4.2
227.17935	3.3
228.93091	2.6
229.16011	3.0
229.19475	2.8
231.13774	3.2
233.15450	3.2
235.16887	4.3
241.15811	3.1
241.19383	4.1
245.15349	3.8
247.16937	4.8
247.20470	3.5
249.18483	19.4
255.21228	3.4
257.15332	3.0
259.16931	5.3
261.18402	3.0
267.17297	2.6
269.19052	3.3
283.20590	13.8
285.18488	3.5
299.20129	2.9
301.21594	6.2
303.23422	2.9
303.26685	2.5
307.20596	2.9
311.29724	2.7
315.23160	26.3
323.23648	2.7
333.24210	8.4
339.23141	2.5
367.26337	6.3
395.28983	2.9
433.34570	5.8
449.30661	5.4
451.35846	12.3
465.37384	8.8
469.36853	4.0
483.38351	25.3
501.34903	7.2
501.39273	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.05510	50.1
67.05486	2.8
69.06198	16.8
78.29148	2.1
83.04980	100.0
93.07027	3.4
95.08594	5.7
105.03422	4.8
105.07040	2.4
107.08634	2.7
119.08569	4.3
123.41160	2.2
140.29155	2.3
161.09619	2.3
248.66020	2.1
280.11224	2.6
302.07834	2.4
316.09671	2.3
353.13770	3.8
355.15271	3.2
368.10117	2.0
385.16333	13.7
449.30319	2.9
467.20776	12.9
467.30850	4.5
484.25452	5.4
502.26407	8.1
503.28415	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23924	0.3
53.87841	0.4
55.01871	3.9
57.03165	0.4
57.03440	5.5
59.05002	0.7
61.02931	3.3
67.05499	0.7
69.03429	8.5
69.03857	0.4
69.03925	0.6
69.04224	4.0
71.01344	1.2
71.04978	0.8
73.02509	0.5
73.02918	9.2
79.05492	0.9
81.03410	1.3
81.07050	1.3
83.04971	0.5
83.08610	0.4
85.02905	24.3
86.03212	0.5
87.04456	1.2
91.03982	1.1
91.05476	2.5
91.85648	0.3
93.07030	0.8
95.04927	0.5
95.08635	0.9
97.02894	11.0
99.04447	0.9
99.17284	0.4
99.58128	0.4
103.03929	1.0
105.07040	1.9
107.08588	0.9
109.02874	1.4
109.06501	0.7
109.10128	0.5
111.04467	0.5
115.03943	5.4
115.05331	0.4
117.07014	0.4
119.08560	1.3
121.10199	0.7
123.04405	0.5
125.09640	0.6
127.03912	5.6
128.06256	0.6
129.07014	1.3
131.08569	35.5
132.06517	0.7
132.08884	1.8
133.04964	9.0
133.10033	0.4
135.08076	0.8
137.05963	0.7
143.08578	0.9
144.09259	0.6
145.04964	8.6
145.10089	2.6
150.07603	2.0
158.10889	0.8
163.06049	3.9
165.09154	0.5
171.11748	2.9
173.13263	100.0
174.13586	4.5
176.11612	0.4
181.10126	0.6
185.13286	1.1
189.12749	0.5
191.10764	0.5
191.14290	1.4
196.53764	0.5
203.07111	0.7
223.06001	1.2
241.07027	1.2
259.08185	0.8
269.68341	0.4
287.16263	0.5
305.13818	1.2
305.17352	0.5
317.17630	1.0
340.44028	0.4
353.19781	0.5
378.48090	0.4
502.17719	1.2
502.30115	1.5
503.25333	0.4
503.31836	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.4
55.05515	1.5
57.03440	6.5
57.07077	13.9
59.05001	100.0
61.02937	2.6
61.85253	0.5
63.27950	0.5
67.05486	0.7
68.99597	0.5
69.03430	10.2
69.03773	0.9
71.01374	1.2
71.04995	0.7
71.29285	0.8
73.02921	9.3
73.25041	0.5
79.05488	1.3
81.03439	1.6
81.07079	1.5
83.04985	1.3
85.02907	18.9
85.62867	0.6
87.04482	1.4
91.05439	0.8
93.07072	1.4
95.04986	0.6
95.08620	1.4
97.02898	11.4
97.06516	0.6
97.10188	1.2
99.04465	1.2
101.09617	0.8
103.03967	1.3
105.07073	1.2
107.08621	0.7
109.02895	1.5
109.10156	1.0
115.03938	4.5
115.11209	29.0
116.11537	0.6
117.09136	1.5
119.08542	0.9
121.10126	1.1
123.08022	0.5
123.11697	1.1
127.03898	3.9
133.04976	5.9
133.10214	0.6
137.05994	1.5
145.04984	5.6
145.10110	0.7
151.04002	0.6
163.06100	1.4
173.15382	6.6
177.05536	0.7
177.09160	0.8
185.04224	1.7
191.07152	0.6
191.16423	57.9
191.74538	0.6
192.16795	2.1
201.03717	1.1
223.05980	1.1
224.99454	0.5
241.07048	0.9
259.08087	0.8
264.74576	0.5
331.10059	1.2
364.46353	0.6
502.23685	2.5
503.20288	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16745	7.5
55.05503	32.9
56.69164	7.7
67.05507	64.6
68.15642	8.0
69.07058	38.1
79.05489	33.9
81.07059	55.2
81.41353	7.7
83.04988	30.9
83.08607	12.3
84.66190	7.2
91.05473	47.9
93.07050	52.8
95.04958	26.0
95.08605	100.0
97.06516	15.2
98.82615	7.7
105.07041	70.0
107.08591	50.0
109.06527	26.1
109.10199	39.4
111.04436	21.0
111.08086	19.6
115.99331	8.0
117.07000	20.3
119.08564	71.5
121.06519	13.4
121.10137	24.9
123.08070	23.0
123.11723	9.7
125.09634	11.1
128.06200	8.5
129.07002	23.5
130.81087	8.4
131.08569	52.2
133.10150	52.3
135.08081	15.1
135.11688	29.3
138.02695	7.4
139.07503	11.5
141.07054	12.9
142.07823	18.7
143.08559	65.0
145.10133	72.6
147.11679	40.2
149.09653	15.0
155.08580	34.3
157.10104	66.7
159.08096	12.7
159.11694	76.5
161.09619	23.2
161.13231	19.2
163.11198	10.1
167.08578	16.0
169.10143	34.8
171.11681	42.2
173.09618	23.2
173.13271	31.4
175.07632	10.3
175.11226	15.9
175.14822	10.4
179.08698	9.5
181.10104	13.3
183.11703	32.5
185.13261	37.8
187.11201	24.0
187.14799	26.9
189.12726	12.1
193.10155	12.5
195.11746	31.5
197.13255	36.0
199.11168	13.7
199.14830	18.7
201.12924	12.5
203.10603	9.8
207.11703	19.2
208.12466	9.3
209.13306	35.0
211.14841	31.2
213.12892	14.6
213.16418	11.1
215.14339	17.2
223.14844	19.8
225.16434	12.1
227.14265	11.8
227.17979	32.7
229.10300	10.3
229.12276	9.9
229.15759	9.4
231.13889	14.0
232.23834	10.4
237.16357	19.0
239.18005	9.8
241.15828	21.1
241.19547	20.0
249.16330	9.5
251.17911	9.6
252.38509	9.7
255.13884	10.2
261.16406	9.4
265.19238	9.7
269.19092	20.9
283.16772	13.3
295.17017	15.8
295.20334	8.2
297.18484	17.0
309.15152	10.1
311.20047	18.4
313.17776	11.4
321.18405	19.8
325.21506	9.2
335.19943	9.7
339.19592	9.7
342.78607	8.7
363.26730	8.4
365.24747	10.1
367.26251	55.4
369.24350	14.5
377.24786	15.2
381.27985	26.7
385.15430	11.1
385.27496	15.3
389.24591	40.9
391.26190	34.2
399.23105	10.8
405.24197	15.8
407.25818	30.1
409.27420	73.3
417.24271	39.8
435.25232	53.9
441.27408	13.4
453.26300	25.0
499.68781	9.1
502.25610	15.4
502.31796	32.9
503.27194	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49070	4.7
53.03936	5.4
53.08762	5.2
55.05509	45.6
55.34501	4.8
56.05848	11.5
57.07072	6.4
62.77832	5.0
67.05505	19.9
69.07085	9.4
71.31670	8.0
79.05486	8.2
81.07058	23.4
83.04994	42.7
83.08608	8.6
84.05324	6.9
91.05470	9.9
93.07052	23.4
95.08617	21.2
105.03391	34.8
105.07048	16.6
107.08589	21.4
109.10167	10.5
117.07042	5.9
119.08591	17.1
121.10127	11.1
123.11644	6.1
131.08546	14.0
143.08578	8.3
145.10118	13.7
147.11694	7.5
157.10132	9.7
159.11722	8.4
161.09706	7.2
165.26970	6.4
173.13202	6.3
181.76584	6.9
181.81816	5.3
233.20087	5.2
310.12527	7.1
310.77002	5.5
337.27094	8.9
343.11258	10.6
351.12265	13.6
401.19791	7.4
402.19952	23.8
445.23288	13.9
467.31235	8.8
484.35324	7.0
485.26865	8.2
502.26205	31.8
502.32629	24.1
503.27554	100.0
503.33600	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.4
55.74599	1.3
61.52956	1.2
67.05503	5.5
69.07079	2.6
69.21347	5.2
69.21764	5.4
79.05476	4.3
81.07082	8.3
83.04984	2.9
91.05502	4.0
91.94417	1.2
93.07046	9.6
95.08603	16.2
98.23379	2.8
105.03399	5.1
105.07037	9.4
107.08585	8.5
109.06503	2.1
109.10166	4.8
110.62516	1.6
111.08086	3.3
117.06984	2.2
119.08591	9.7
121.06531	1.4
121.10146	8.7
123.08031	2.2
123.11696	2.0
129.06973	1.5
131.08589	6.0
133.10141	8.8
135.11674	2.5
139.07571	1.8
142.07755	1.9
143.08556	4.9
145.10117	9.3
147.08072	1.6
147.11711	3.7
149.09656	1.7
155.08611	2.8
157.10095	8.7
159.08009	2.1
159.11665	7.8
161.09639	3.7
161.13297	2.4
169.10133	4.4
171.08136	1.7
171.11665	7.3
173.09705	1.6
173.13261	5.6
179.10771	1.7
183.11719	3.9
185.13284	3.2
187.11243	2.5
187.14766	2.5
195.11784	1.8
197.13348	2.5
199.14925	2.5
201.12817	2.7
207.13834	1.9
211.14851	1.9
213.12820	2.6
219.13826	2.6
237.16280	1.6
247.16975	2.6
267.17535	1.7
269.19128	1.9
271.16949	2.4
273.18469	2.5
281.19012	2.4
289.21713	1.5
299.20059	1.9
309.22070	2.8
327.23282	5.5
353.24854	2.0
391.26431	2.1
409.27509	2.8
431.29578	6.9
440.26135	4.2
449.30527	10.7
458.27567	1.8
459.28528	2.0
467.31528	26.8
484.25302	4.2
485.26733	3.2
502.26459	100.0
503.27658	94.7
512.65350	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.6
55.05513	11.4
67.05501	21.8
69.07070	10.8
69.24380	33.9
71.04996	6.9
72.01363	4.9
75.06257	5.0
79.05499	19.3
81.07049	35.5
83.04973	13.1
83.08616	7.0
87.77992	5.0
91.05505	20.9
93.07047	42.3
95.08611	100.0
97.06551	8.7
99.08123	4.8
105.07037	42.0
107.08588	48.0
109.06528	9.3
109.10177	31.9
111.08080	8.9
119.08566	46.1
121.06564	8.1
121.10156	32.9
123.08067	14.8
123.11707	9.2
129.07030	6.3
131.08575	25.7
133.10136	43.5
135.08060	10.3
135.11722	17.6
137.09657	7.0
139.07443	8.1
142.07817	4.7
143.08597	18.5
145.10146	43.4
147.08089	8.1
147.11716	20.6
149.09662	6.7
149.13274	11.2
150.95790	5.0
155.08517	8.0
157.10092	24.8
159.08119	11.1
159.11696	40.3
161.09642	14.4
161.13274	13.6
169.10115	12.0
171.11699	22.6
173.09630	9.8
173.13306	27.7
175.11287	8.3
175.14845	8.4
181.10120	7.4
183.11678	9.3
185.09628	6.3
185.13341	15.0
187.11226	7.4
187.14845	20.7
189.12793	9.1
191.10667	6.6
191.14314	6.5
193.12210	5.4
197.13214	11.1
199.11189	5.9
199.14792	11.9
201.12807	12.8
201.16371	9.1
203.14224	6.6
205.12128	6.2
207.13760	6.1
213.12819	11.1
213.16348	9.8
215.14235	24.4
219.13860	13.8
221.15460	8.6
223.14766	7.2
225.16463	9.4
229.15854	12.0
231.13866	6.7
233.13208	6.6
233.15224	24.1
235.16971	6.3
245.15314	7.9
247.16982	19.9
271.16913	7.4
273.18677	5.8
309.21991	9.8
327.23166	12.7
421.30814	13.3
431.29456	22.4
449.30466	44.4
467.31546	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.7
53.03949	10.4
55.01855	1.0
55.05508	4.0
65.03918	1.2
67.05493	5.5
69.07066	2.8
69.32565	6.6
76.44985	1.0
77.03944	3.5
79.05503	5.4
81.03401	1.1
81.07055	7.0
83.04983	3.3
83.08591	1.2
85.95743	1.0
91.05495	5.2
93.07063	7.9
95.04968	13.1
95.08607	22.1
97.06551	1.4
98.22588	2.1
102.75847	1.1
105.03394	100.0
105.04546	3.7
105.07030	8.6
106.03746	2.4
107.08604	8.6
109.06541	2.7
109.10167	6.3
111.04477	2.0
111.08098	3.3
115.76562	1.1
117.07024	1.9
119.08580	10.9
121.06577	1.7
121.10145	7.4
123.08092	3.1
123.11728	1.8
129.06937	1.9
131.08568	7.3
133.10123	10.2
135.08035	1.6
135.11699	4.1
135.83282	1.1
143.08565	4.8
144.09134	1.3
145.10091	9.2
146.10608	1.1
147.08012	1.8
147.11697	4.0
149.13271	2.3
155.08586	1.9
157.10107	5.7
159.08063	2.0
159.11726	6.4
159.12849	1.1
161.09645	3.4
161.13290	2.8
167.08743	1.1
169.10115	3.0
171.11667	4.0
173.09645	3.6
173.13269	4.6
175.11224	3.1
175.14865	1.7
177.09053	1.8
183.11719	2.1
185.09668	1.2
185.13301	3.8
187.11200	2.9
187.14868	3.9
189.12766	1.5
195.11690	1.4
195.13913	1.2
197.13278	3.9
199.14836	2.3
201.12787	2.4
203.14337	1.7
205.10286	1.1
207.08064	1.3
207.13805	1.9
210.06747	2.5
211.14847	2.4
213.12682	1.2
213.16313	1.2
215.14319	3.6
219.08237	1.4
221.15411	2.0
223.14783	1.2
225.16466	1.1
231.13704	1.5
233.09610	3.1
233.15454	3.7
235.07658	3.0
235.14803	1.1
235.17006	1.6
237.12694	1.5
240.07817	1.6
247.07550	2.7
247.16974	3.5
249.09120	1.8
250.09885	4.3
261.09070	2.1
263.06992	3.6
265.12286	3.5
267.17419	1.3
268.07205	1.8
269.07977	1.0
275.20169	1.1
276.07846	1.1
277.08698	5.9
278.06415	1.4
278.09402	4.8
283.06128	1.1
283.09637	3.0
285.19092	1.3
287.20013	1.7
291.10071	2.6
292.10977	2.3
293.08054	3.2
293.11722	6.6
305.08084	4.4
305.18961	1.0
306.05197	1.2
306.08508	1.7
308.10361	2.4
310.08389	3.0
311.09042	2.8
313.07025	1.8
319.09735	2.9
321.07568	2.0
321.11240	1.7
323.12738	4.6
327.08987	1.2
327.23209	3.1
335.09341	2.5
336.09839	1.7
341.10159	6.8
345.23959	1.5
349.10388	1.4
350.11603	7.5
351.12262	46.4
351.65155	1.1
381.13303	8.1
408.57455	1.1
431.29559	5.2
449.30597	7.1
467.31564	7.6
485.32208	2.2
502.26364	2.5
503.17017	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22066	4.4
55.05516	11.9
57.02745	5.1
67.05502	25.4
69.07069	15.3
69.17651	12.7
69.18072	26.1
69.33314	5.9
69.93039	4.5
70.71704	4.3
79.05499	23.4
81.07058	46.4
83.04998	11.1
83.08620	9.3
91.05477	22.4
93.07041	37.5
95.04974	13.6
95.08602	100.0
97.06512	9.5
105.03384	36.3
105.07022	44.3
106.03733	14.1
107.08598	74.1
109.06543	7.7
109.10154	50.2
111.08064	9.8
119.08586	44.3
121.06518	5.1
121.10145	47.3
121.43182	4.9
123.08037	5.5
123.11711	17.7
131.08559	25.5
133.10120	38.9
135.08006	8.6
135.11691	26.7
137.09637	8.1
137.13281	9.3
139.07515	6.7
143.08597	11.5
145.10112	51.3
147.08086	8.2
147.11694	28.7
149.09608	11.6
149.13298	11.9
157.10118	22.3
159.11693	37.6
161.09619	13.2
161.13286	23.0
163.11185	6.6
163.14925	7.6
165.09055	5.4
169.08669	5.6
169.10147	8.5
171.11696	17.2
172.07651	5.5
173.09656	7.9
173.13261	32.0
175.11147	7.1
175.14857	18.8
177.09142	10.9
183.11636	7.5
185.13274	13.9
187.11200	8.0
187.14839	33.8
189.12715	6.2
189.16380	12.8
191.14241	9.8
193.12218	5.3
195.11662	6.5
199.14857	14.4
201.12857	7.0
201.16383	20.3
203.14336	7.9
211.14946	6.0
213.12639	5.5
213.16367	8.7
215.14301	14.7
215.17827	5.7
219.13800	11.7
221.15315	7.9
227.14255	11.3
229.15907	13.7
231.17287	6.1
233.15410	18.6
235.16728	6.4
237.14856	38.1
239.16452	8.2
247.16939	16.1
251.16493	6.6
255.21132	5.2
265.18045	7.2
277.18207	7.6
281.22556	5.6
345.24149	11.0
371.25677	6.1
380.12106	7.3
395.29437	6.3
409.27167	5.8
421.31033	57.5
422.31418	7.7
431.29306	5.6
439.32126	42.9
449.30444	28.6
467.31430	39.9
485.32672	46.7
502.26288	28.6
503.27573	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	36.5
55.15817	5.3
57.47250	6.0
64.82014	5.0
67.05507	22.2
69.07066	9.9
70.36611	8.9
70.36944	11.6
79.05490	23.3
81.07073	39.5
83.04983	60.9
85.06545	6.4
88.57968	6.2
91.05473	25.5
93.07046	60.2
95.04983	12.0
95.08604	100.0
98.22628	6.9
99.04475	8.8
105.03380	28.9
105.07026	57.3
107.08604	57.9
109.06516	8.2
109.10167	23.7
111.04536	6.0
111.08060	8.7
117.07018	21.4
119.08581	64.4
121.06480	6.0
121.10142	48.5
123.08102	12.8
123.11677	9.5
129.07033	6.7
131.08553	35.1
133.10129	58.6
135.08087	9.6
135.11716	15.3
139.07570	7.5
143.08557	18.5
145.10130	51.3
147.11687	41.2
149.09692	18.9
155.08479	7.6
157.10184	19.3
159.08078	9.4
159.11684	44.7
161.09650	18.1
161.13304	12.8
167.10704	22.0
169.10178	13.1
171.11729	27.5
173.09659	20.9
173.13303	20.8
175.11227	18.2
177.09087	9.1
179.10609	12.5
183.11752	8.9
185.09535	7.8
185.13242	17.4
187.11223	17.2
187.14798	17.9
189.12718	11.5
191.10718	10.2
193.04181	6.4
193.12245	11.6
196.84845	5.9
197.13220	14.1
199.11180	11.8
199.14729	11.1
201.12692	7.5
205.12213	9.2
207.13850	19.7
209.13268	6.9
213.12732	14.0
215.14282	16.8
219.13947	7.8
227.14499	7.2
229.16002	8.4
231.13911	17.7
233.15448	22.5
235.16862	8.0
243.13811	6.8
247.16951	25.1
251.17915	7.8
287.20142	14.2
295.20850	7.0
327.23160	6.2
335.23990	7.1
381.28046	7.2
384.85840	6.4
391.26523	32.8
409.27280	57.1
410.27490	7.7
427.28479	18.3
431.29614	8.1
449.30701	14.1
467.31506	22.3
503.28281	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	7.5
57.07068	29.2
67.05514	16.3
71.08629	60.6
79.05515	10.8
81.07056	16.0
83.08633	6.9
85.10177	31.1
89.06030	100.0
91.05502	17.6
93.07056	25.1
95.04929	7.6
95.07983	5.4
95.08608	22.5
96.83331	5.9
105.03390	35.9
105.07052	15.5
107.08575	14.1
108.93853	5.7
109.10182	8.5
119.08617	12.5
121.06515	55.8
123.08030	5.4
131.08575	10.8
133.08609	60.1
133.10167	6.4
135.11726	7.4
145.10136	12.8
147.08031	11.4
147.11728	8.5
149.09622	11.8
158.90846	6.4
165.09149	31.3
167.10713	6.4
177.11246	18.9
197.13156	5.2
209.11658	12.1
247.20529	16.3
291.23300	35.6
297.45227	5.3
340.12186	7.4
359.20593	39.8
386.26730	7.9
467.31610	31.0
485.34650	23.6
503.27570	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87499	0.6
53.03945	2.1
55.05506	0.7
57.03096	0.7
63.48478	0.6
67.05515	2.3
69.07066	1.9
71.30185	0.9
71.30561	0.6
79.05505	1.3
81.07061	3.0
83.04978	0.9
89.57263	0.6
91.05460	2.0
93.07045	1.8
94.07368	0.7
95.04982	2.1
95.08626	2.8
105.03393	11.4
105.04504	1.1
105.07044	2.4
107.08598	2.9
109.10173	2.2
117.07053	0.9
119.08588	2.5
120.86161	0.6
121.10148	3.0
131.08586	1.3
133.10153	2.4
135.08061	0.9
135.11714	1.4
137.05974	1.5
143.08511	0.9
145.10127	1.8
147.11690	2.0
157.10135	1.0
159.08116	1.0
171.11708	0.7
175.14769	0.9
211.14949	0.8
229.19119	0.6
248.08372	1.2
263.10788	0.7
264.07806	1.0
265.08575	0.6
269.75742	0.7
275.07037	1.1
277.08627	1.4
279.10172	0.8
288.30350	0.7
291.06787	0.9
291.10056	1.7
292.07199	0.8
293.08218	0.9
305.08044	1.2
307.09610	1.2
319.09586	1.3
320.06833	0.9
321.11292	0.8
334.08447	1.7
335.09100	5.4
349.10690	4.4
350.11499	6.0
351.12408	1.2
357.27875	1.6
366.11008	1.1
381.13315	14.8
431.29688	1.1
431.35199	0.7
441.27515	3.6
459.28735	2.4
467.31125	1.3
485.26740	2.9
502.26099	1.1
502.32825	1.0
503.27682	100.0
521.05719	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72709	3.2
53.03931	3.4
55.05505	13.2
57.07084	3.7
67.05511	32.0
69.07063	14.4
71.08659	3.4
76.14348	3.5
79.05495	17.8
81.03428	5.8
81.07054	38.0
82.07381	3.3
83.08624	11.5
88.74944	3.1
91.05466	10.2
93.07040	57.2
95.04965	10.8
95.08607	100.0
97.06532	5.2
97.10143	3.6
103.05467	3.4
105.07048	29.6
107.08586	53.9
109.06493	4.3
109.10150	43.9
111.08047	6.8
117.07055	9.0
119.08584	43.1
121.06531	7.5
121.09294	5.7
121.10142	69.5
122.10539	3.9
123.08057	11.4
123.11700	20.9
125.09627	3.9
127.07594	10.2
129.44559	2.9
131.08566	15.4
133.10139	36.1
135.08043	8.8
135.11699	31.3
137.09581	5.2
137.13229	3.7
143.08620	8.0
145.10124	19.1
147.08037	6.6
147.11681	24.6
149.09653	9.4
149.13272	11.5
153.09123	9.8
155.10596	4.9
157.10126	10.4
159.11684	21.7
161.09650	11.0
161.13287	39.8
163.11195	9.8
163.14894	4.1
167.10715	12.0
169.10225	4.2
171.11601	7.1
173.13301	18.9
175.11200	12.8
175.14816	13.4
177.12863	4.8
177.16399	4.4
181.12247	13.9
187.14809	15.6
189.12764	4.4
189.16399	20.5
193.12286	6.7
195.13818	4.2
199.14854	4.5
201.12746	3.9
201.16386	8.8
203.14314	8.0
203.17943	5.9
209.15335	8.0
213.16376	6.5
215.14357	8.1
217.15790	11.0
221.15402	7.5
223.16998	8.3
229.15923	5.7
231.17534	7.4
232.53394	3.2
235.16948	20.3
237.18553	10.1
247.16942	8.6
249.18465	30.9
261.18582	15.2
262.78033	3.5
263.20123	3.6
275.20120	7.5
329.24686	4.9
343.26315	7.1
397.27225	4.3
417.31519	7.8
425.34103	5.1
429.30112	8.6
435.32571	22.3
453.33502	18.0
467.35281	4.1
485.36215	55.6
486.36508	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	4.5
55.05503	16.6
57.07070	7.8
67.05504	27.4
69.07063	17.2
69.53621	17.8
79.05499	21.3
81.07060	60.6
83.04959	5.1
83.08620	12.4
89.42725	4.4
91.05472	18.3
93.07037	45.9
95.04971	10.7
95.08602	100.0
97.06494	4.8
97.10110	4.7
98.22631	10.5
105.07020	22.5
107.08592	60.6
108.08906	5.1
109.06491	5.7
109.10164	47.0
111.08105	8.7
117.07011	5.9
117.29487	4.4
119.08597	48.1
121.05092	4.3
121.10139	60.5
123.08089	11.2
123.11707	30.9
125.09654	4.6
128.42831	5.2
131.08569	15.1
133.10147	49.0
133.56662	4.3
135.08096	4.9
135.11664	28.6
137.13304	10.6
139.07545	6.7
141.09055	5.3
145.10112	18.1
145.40564	4.6
147.08018	4.8
147.11638	25.7
149.09550	4.7
149.13260	12.6
153.09132	9.9
157.10132	7.9
159.11685	19.3
161.09613	10.3
161.13257	38.8
163.11107	4.9
163.14893	5.9
166.93260	4.6
167.10759	8.2
171.11725	8.1
173.02295	4.3
173.09647	5.0
173.13258	13.8
174.13754	4.4
175.11183	10.9
175.14784	12.1
177.12910	4.8
181.12228	7.7
185.13283	7.1
187.14818	13.6
189.12735	7.3
189.16371	15.6
191.14212	5.7
193.12254	7.8
195.13776	10.1
196.48610	5.5
197.13234	6.8
199.14783	8.8
201.16376	5.3
203.14362	5.3
203.18062	8.7
205.15819	7.2
215.14502	5.8
217.15916	9.8
219.17551	7.1
221.15344	16.9
223.16908	8.9
233.15277	7.8
235.16879	37.2
247.16954	15.0
249.18405	30.6
275.20062	6.2
289.21545	5.3
309.63638	4.6
329.24789	7.9
343.26270	26.5
366.13800	5.1
389.95801	4.7
407.33130	5.6
417.31323	8.5
425.33945	22.1
435.32758	35.4
453.33737	57.2
471.34674	57.3
502.38507	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70040	2.3
55.05508	15.3
57.03435	13.1
57.07076	37.2
66.10754	2.4
67.05504	96.8
69.07066	8.8
71.04970	3.1
71.08628	25.3
73.04761	4.1
79.05500	3.7
81.03431	5.9
81.07058	27.6
83.08617	17.5
85.10194	8.3
89.06004	4.0
91.05852	3.5
93.07024	6.1
95.08602	18.9
97.10162	4.8
98.22703	8.6
98.23383	5.1
105.03357	3.3
109.10149	89.3
119.08589	8.3
121.02623	2.5
121.10095	3.2
137.09615	2.7
137.13226	2.5
142.38051	2.4
149.04495	2.8
155.10641	6.8
167.05571	9.5
173.11723	29.9
197.32535	2.5
222.74597	3.2
229.14340	100.0
230.14769	5.0
239.23787	3.3
299.06152	8.7
313.27365	93.8
314.27744	3.3
344.97519	3.1
370.57394	3.3
414.37915	2.7
467.37271	52.5
468.37616	4.0
503.37228	4.0
525.71423	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1696
Annotation	Schisandrene
Peak:m/z	Relative Intensity
50.01597	1.1
51.02380	1.7
53.03948	7.0
54.04281	0.2
55.01855	0.5
67.41406	0.2
70.09156	0.1
75.85163	0.2
77.03922	2.3
81.03419	1.0
83.05009	0.2
91.37002	0.1
95.04967	10.4
96.05323	0.2
98.22572	0.6
101.14705	0.1
105.03391	100.0
105.04528	5.0
106.03712	2.0
107.78860	0.1
112.64629	0.1
118.06541	0.3
121.10366	0.1
165.06972	0.3
167.08617	0.3
177.06995	0.2
178.07814	0.2
179.08594	0.9
181.06409	0.2
182.07268	0.7
183.08037	0.2
189.06975	0.3
190.07779	0.4
191.08536	0.3
192.09302	0.3
193.10156	0.2
194.07256	0.3
195.08031	0.6
196.08907	0.1
197.05963	0.2
197.09660	0.9
202.07742	0.3
203.08519	0.3
205.06488	0.3
205.10181	0.6
206.07243	0.2
207.08032	1.7
209.06012	0.2
209.09549	0.3
210.06731	2.3
211.07458	0.5
212.08359	0.1
215.08580	0.4
217.06355	0.2
218.07269	0.9
219.08041	1.5
219.11647	0.2
220.08746	0.6
221.05870	0.3
221.09531	0.3
222.10370	1.0
223.07561	1.1
223.11076	0.2
224.04729	0.2
224.08319	1.4
225.05435	0.4
225.09093	2.4
231.08029	0.6
232.08755	1.3
233.06078	0.2
233.09593	2.7
234.06674	0.4
234.10266	0.4
235.07527	5.1
235.11200	0.6
236.08034	0.5
237.05473	0.2
237.09067	0.8
237.12663	0.8
238.06255	0.2
239.07033	0.4
240.07773	1.2
241.08635	0.3
245.09659	0.2
246.06664	0.5
247.07550	2.4
247.11180	0.7
248.08311	1.1
249.09113	2.0
250.06117	0.3
250.09885	4.4
251.07104	0.4
251.10490	0.5
252.07887	0.9
253.04857	0.4
253.08630	1.2
254.05641	0.3
255.06387	0.2
255.10133	0.6
259.07565	0.3
260.08316	0.3
261.05862	0.3
261.09082	2.5
262.06259	0.4
262.09869	1.1
263.07040	4.4
263.10638	0.8
264.07608	0.4
265.04971	0.5
265.08640	0.9
265.12247	4.9
266.05640	0.2
267.06473	0.3
267.10193	0.6
268.07373	1.1
268.09998	0.2
269.08090	0.4
275.07034	0.9
275.10690	0.5
276.07791	1.1
276.10504	0.2
277.08594	5.2
278.05814	0.8
278.09357	4.1
279.06616	0.3
279.10013	0.7
280.10846	0.7
281.04465	0.3
281.08066	0.4
283.06021	0.4
283.09634	1.8
284.10074	0.2
288.07907	0.2
289.05215	0.1
289.08621	0.6
290.05661	0.5
290.09253	0.8
291.06543	0.9
291.10141	2.7
292.07538	0.3
292.10870	2.1
293.08081	3.7
293.11710	7.2
294.08841	0.3
294.12158	0.5
295.06052	0.6
295.09473	0.1
295.13446	0.3
296.06873	0.8
297.07462	0.3
299.05826	0.3
303.06781	0.2
303.10068	0.3
304.07178	0.8
305.08057	4.8
305.11469	0.2
306.05215	0.3
306.08752	1.2
307.06345	0.2
307.09732	0.6
308.10425	2.7
309.10968	0.4
310.08340	2.1
311.05869	0.2
311.09113	4.8
312.06207	0.2
312.09586	0.3
313.07013	2.0
318.08868	0.4
319.09637	3.6
320.06857	0.2
320.10370	1.7
321.07547	2.4
321.11200	2.2
322.11716	0.2
323.09247	0.3
323.12738	3.4
326.07748	0.7
327.08539	0.8
335.09134	1.7
336.06137	0.2
336.09824	1.7
337.06845	0.2
340.09454	0.2
341.10208	9.5
342.10480	0.6
349.10654	1.2
350.11435	5.5
351.12247	43.7
352.08490	0.2
352.12616	2.6
366.11078	1.2
367.11359	0.2
381.13309	7.1
381.18228	0.4
382.13879	0.7
403.11719	0.3
434.10068	0.3
503.16919	5.0
503.27576	0.8
504.17401	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1699
Annotation	Schisandrene
Peak:m/z	Relative Intensity
50.01591	0.9
51.02374	1.9
53.03947	6.8
55.01852	0.7
56.87694	0.2
58.31464	0.2
59.05000	0.5
61.03319	0.2
67.05495	0.5
67.58701	0.2
68.99371	0.2
69.03442	0.3
69.07054	0.4
69.47378	1.0
73.06547	0.8
75.04491	1.0
77.03923	1.7
81.03423	1.1
83.04970	0.2
89.06009	0.3
95.04965	9.6
96.44772	0.2
98.22649	0.3
101.06011	0.2
105.03389	100.0
105.04528	4.7
106.03716	2.2
109.06543	0.2
118.06486	0.2
119.04955	0.2
119.08578	0.2
121.06533	0.2
123.08063	0.5
133.06396	0.2
133.10065	0.2
135.08073	0.2
141.09158	0.2
151.07561	0.4
153.06946	0.2
155.07027	1.4
159.08000	0.3
165.06995	0.3
166.07727	0.2
167.07045	0.4
167.08391	0.2
169.06470	0.3
175.03859	1.0
179.07082	0.2
179.08588	0.3
185.05980	0.2
190.07837	0.2
191.08546	0.4
192.09215	0.3
193.10172	0.3
195.08083	0.2
197.02325	2.3
197.06018	0.3
199.03885	0.5
202.07860	0.3
203.06934	0.3
203.08630	0.6
205.06480	0.6
206.07233	0.2
207.08005	0.3
209.06174	0.2
209.09642	0.5
209.88396	0.2
211.07494	0.2
212.04703	0.4
213.05479	0.8
215.14268	0.3
219.08064	0.6
220.08878	0.7
221.09581	0.9
222.06816	0.3
222.10356	0.2
223.03763	0.2
223.07698	0.3
223.10938	0.2
224.04663	0.2
225.05460	0.2
225.09146	0.3
226.02708	0.2
226.06229	0.4
227.03470	0.2
227.07004	3.9
228.07408	0.3
231.08055	0.8
233.05878	0.3
233.09610	0.4
234.06688	0.2
234.10365	0.4
235.07600	0.8
235.11191	0.5
236.04750	0.2
237.05466	0.3
237.09111	0.7
238.06169	0.3
239.03383	0.2
240.04254	0.5
240.07971	0.3
241.08542	0.7
247.07574	0.6
248.08229	1.2
249.05435	0.6
249.09071	1.3
250.06285	0.6
250.09795	0.5
251.03459	0.4
251.07060	0.8
251.10443	0.3
252.04240	0.3
252.07819	0.5
252.38574	0.2
253.01312	2.2
253.03859	0.2
253.04845	0.2
253.08673	0.4
255.06349	0.2
259.07672	0.4
261.05576	0.3
261.09088	0.7
262.09814	0.3
263.07132	1.9
263.10501	1.2
264.04248	0.4
264.07776	0.9
264.11383	0.3
265.05020	0.8
265.08618	2.0
265.12222	0.2
266.05743	0.8
266.09180	0.4
267.02902	1.2
267.06543	0.5
267.10132	0.6
267.13635	0.2
268.03653	1.4
268.07101	0.3
269.04297	0.4
275.07047	0.4
276.07852	1.0
277.08597	2.0
278.05951	0.3
278.09351	1.2
279.06549	1.0
279.10199	1.7
280.07248	0.8
280.10538	0.4
281.01065	0.3
281.04742	0.4
281.08081	2.8
282.05316	0.4
282.08524	0.2
283.09747	0.2
287.07144	0.3
289.08560	1.5
290.09299	1.1
291.06555	1.7
291.10162	2.1
292.07187	0.7
292.10965	0.6
293.08099	1.6
293.11649	0.7
294.05267	0.4
294.08499	0.4
295.02753	0.3
295.06021	0.8
295.09686	1.4
295.13318	1.2
296.03156	1.5
296.10104	0.2
297.04114	0.2
297.07617	0.5
303.06631	0.3
305.08176	1.1
306.08817	3.3
307.09531	2.6
308.06781	0.5
308.10425	1.0
309.04187	0.3
309.07523	1.3
309.10938	0.3
310.05185	0.3
310.08301	1.2
311.05539	6.4
311.09015	0.8
312.05920	0.4
313.07034	0.8
317.08038	0.5
318.08859	0.4
319.05942	0.8
319.09766	0.7
320.10370	0.5
321.07538	0.6
321.11142	6.4
322.11823	1.5
323.09070	1.6
323.12787	2.5
324.09860	0.7
325.07172	1.0
326.07495	0.3
333.07455	0.3
334.08316	1.0
335.09064	1.5
336.09787	0.6
337.10657	0.5
338.11450	2.2
339.08664	0.3
339.12265	0.3
341.10138	1.2
349.10727	2.2
350.11276	1.6
351.08560	0.7
351.12296	2.1
353.13815	18.0
354.14178	0.9
363.12460	0.2
366.11029	1.3
381.13297	16.8
382.13547	1.0
415.15311	0.3
441.27515	0.3
443.14746	0.2
459.28860	0.3
471.14496	0.3
473.15845	0.6
475.17245	0.3
485.26572	1.0
503.17065	2.1
503.27625	9.8
504.17126	0.3
504.28159	0.5
527.33594	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.7
50.62701	0.2
50.85259	0.2
51.02377	2.0
53.03949	7.0
55.01866	0.7
59.04990	0.8
62.60046	0.2
68.99791	0.3
69.07059	0.2
73.06548	1.0
75.04486	1.2
77.03914	2.1
79.05531	0.2
81.03414	1.2
91.05470	0.6
95.04967	10.6
96.05254	0.3
98.22991	1.1
105.03391	100.0
105.04530	4.8
106.03714	2.2
111.04433	0.2
115.05479	0.3
119.04900	0.2
123.08069	0.5
125.05980	0.4
139.07503	0.2
145.06482	0.2
150.06662	0.2
155.07013	1.0
157.05151	0.2
157.06459	0.3
159.08176	0.2
169.06483	0.3
173.05992	0.2
175.03917	1.1
175.07509	0.3
178.07791	0.3
179.07069	0.4
179.08545	0.3
181.06418	0.4
185.05995	0.2
190.07751	0.4
191.08542	0.4
192.09399	0.3
197.02345	2.3
197.05983	0.4
199.03938	0.5
199.07530	0.3
202.07758	0.3
203.08646	0.6
204.09276	0.2
205.06493	0.5
205.10181	0.3
206.07259	0.2
207.08072	0.3
209.09651	0.7
211.07573	0.2
211.11098	0.3
212.04713	0.6
213.05481	1.0
215.07051	0.5
218.07338	0.3
219.08127	0.9
220.08795	1.0
221.09619	0.8
223.07544	0.4
224.08240	0.3
225.05484	0.3
226.06204	0.3
227.03430	0.3
227.07008	3.8
228.07652	0.3
231.08087	0.8
232.08833	0.3
233.06018	0.4
233.09686	0.6
234.06659	0.3
234.10364	0.3
235.07516	0.7
235.11143	0.5
236.08081	0.3
237.05499	0.4
237.09155	1.2
238.06139	0.3
239.03465	0.2
239.07147	0.3
240.04164	0.3
241.04916	0.3
241.08542	0.5
245.05872	0.3
247.07553	0.8
248.08368	1.6
249.05522	0.6
249.09132	1.4
250.06284	0.6
250.09857	0.5
251.03319	0.4
251.06996	0.6
251.10748	0.3
252.04312	0.4
252.07756	0.6
253.01358	2.2
253.04927	0.3
253.08598	0.5
255.02873	0.3
255.06497	0.3
259.07587	0.5
261.05527	0.3
261.09070	1.1
262.09988	0.4
263.07098	3.0
263.10669	2.2
264.04337	0.5
264.07748	0.9
264.11450	0.3
265.04999	0.9
265.08624	2.6
266.05722	0.9
266.08716	0.3
267.02957	1.5
267.06537	0.6
267.10196	0.6
268.03690	1.3
275.06989	0.7
276.07809	1.0
277.05399	0.4
277.08621	2.4
278.05756	0.8
278.09338	1.6
279.06549	0.9
279.10178	2.0
280.03857	0.2
280.07327	1.0
280.10675	0.4
281.01080	0.4
281.04480	0.6
281.08099	2.8
282.05319	0.6
283.05981	0.3
283.09607	0.3
284.06790	0.3
289.05630	0.4
289.08539	1.7
290.09225	1.5
291.06543	2.4
291.10144	2.6
292.03992	0.3
292.07269	0.9
292.10495	0.5
293.04779	0.4
293.08090	2.3
293.11627	0.6
294.05344	0.4
294.08759	0.5
295.02786	0.3
295.06064	1.0
295.09680	2.1
295.13312	1.2
296.03149	1.5
297.07593	0.4
302.05746	0.4
303.06488	0.3
305.08060	1.8
306.08853	3.7
307.06122	0.3
307.09561	2.8
308.07065	0.4
308.10425	1.1
309.04166	0.3
309.07626	1.3
309.10892	0.4
310.04611	0.5
310.08386	1.4
310.11746	0.4
311.05515	7.1
311.09097	0.9
312.05981	0.6
313.07025	0.7
317.08160	0.7
318.08649	0.2
319.06070	0.6
319.09641	1.0
320.06689	0.5
320.10461	0.6
321.07596	0.5
321.11163	7.1
322.11847	1.6
323.05612	0.3
323.09128	1.8
323.12802	2.2
324.09698	0.4
325.07040	0.7
325.10571	0.3
333.07672	0.3
334.08270	1.0
335.09201	1.4
336.09955	0.5
337.10645	0.5
338.11380	2.3
339.08508	0.5
339.12134	0.3
341.10080	1.0
341.13885	0.2
349.10684	2.6
350.11411	1.8
351.08545	0.7
351.12332	2.2
352.09088	0.3
353.13809	16.8
354.14157	1.1
365.10602	0.2
366.11044	1.0
369.13477	0.2
381.13312	16.2
382.13693	0.9
441.27908	0.4
443.15384	0.3
459.28665	0.5
473.15875	1.0
475.17792	0.3
485.26794	0.4
503.17282	1.3
503.27634	8.9
504.17267	0.3
504.27884	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.17
Annotation	Schisandrene
Peak:m/z	Relative Intensity
50.01596	0.6
51.02381	1.8
53.03948	8.2
55.01865	0.5
57.75625	0.2
59.84751	0.2
63.07029	0.2
63.69625	0.2
67.78083	0.2
69.12128	1.6
69.12533	0.5
77.03922	2.1
80.15440	0.2
81.03424	0.5
84.88482	0.2
89.78346	0.2
92.39153	0.2
95.04972	8.8
96.05300	0.2
105.03394	100.0
105.04536	4.2
106.03720	2.0
118.06503	0.2
124.43975	0.2
145.87735	0.3
165.07043	0.2
179.14250	0.2
189.07054	0.4
190.07751	0.5
202.07866	0.3
203.08574	0.3
205.06387	0.3
205.10153	0.4
207.07967	0.4
210.06790	0.2
215.08580	0.4
218.07339	1.0
219.08150	1.0
220.08842	0.3
222.10399	0.3
231.08138	0.6
232.08911	0.7
233.09592	2.0
234.06706	0.3
234.10320	0.3
235.07555	1.4
235.11232	0.3
246.06746	0.4
247.07518	1.6
247.11322	0.2
248.08282	0.5
249.08997	1.0
250.09914	1.5
251.10701	0.3
253.08566	0.3
260.08359	0.6
261.09152	3.1
262.06317	0.5
262.09811	0.8
263.07111	2.4
263.10651	0.7
264.07657	0.3
265.08694	1.0
265.12286	2.1
275.07092	0.6
275.11389	0.2
276.07758	1.1
277.08636	2.4
278.06183	0.4
278.09366	2.7
279.06555	0.3
279.10159	0.6
280.10922	0.6
289.05402	0.2
289.08652	0.6
291.06564	0.7
291.10178	1.6
292.07498	0.3
292.10974	0.7
293.08115	2.1
293.11765	4.1
294.12271	0.3
304.07413	0.9
305.04898	0.4
305.08151	2.9
306.05630	0.3
306.08902	0.9
307.09628	0.4
308.10385	1.3
309.11044	0.3
310.08505	0.2
311.09225	0.5
312.06122	0.3
313.07050	3.4
314.07770	0.3
319.09689	4.9
320.10330	1.8
321.07602	1.1
321.11301	2.9
323.09103	0.4
323.12726	3.7
323.16016	0.3
326.07748	0.5
327.08685	1.4
331.21698	0.2
331.26074	0.5
335.09109	2.3
336.09894	1.2
340.09100	0.3
341.10132	1.2
349.10931	0.4
350.11481	4.2
351.12265	20.0
352.12613	1.6
355.08112	0.3
356.08807	0.4
366.10980	1.6
369.13669	0.3
381.13300	8.8
382.13852	0.6
434.09952	0.4
461.12051	0.3
503.17023	16.2
503.28290	0.6
504.17310	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1888
Annotation	Syringylresinol diacetate
Peak:m/z	Relative Intensity
50.69407	0.7
55.01874	1.2
55.05504	1.8
62.94771	0.8
67.05504	1.8
69.03429	21.6
69.07070	1.6
71.30298	1.7
73.02913	1.2
79.05484	2.5
81.07059	2.4
83.04964	1.4
85.02895	2.0
85.06554	1.7
91.05482	3.0
92.04462	0.7
93.07063	2.8
94.04196	0.9
95.04993	1.5
95.08605	5.6
97.02908	1.6
97.06522	2.1
98.49572	0.8
103.05452	1.4
103.33889	0.9
104.05971	0.8
104.45420	0.9
104.83918	0.8
105.07036	4.4
107.04940	1.3
107.08590	6.8
109.06525	2.2
109.10159	1.2
115.03834	0.8
117.07011	0.9
119.05002	1.1
119.08572	2.6
121.06516	1.2
121.10145	6.0
122.03677	2.3
123.08031	1.3
123.11713	2.6
125.09633	10.2
128.37727	0.9
129.06982	1.0
131.04962	1.4
131.08559	2.5
133.04991	0.9
133.10143	6.5
135.08029	5.4
135.11661	2.5
135.22121	0.8
137.05975	30.3
141.07039	0.8
143.08551	1.8
144.17484	0.9
145.10126	3.0
147.08066	1.0
147.11684	1.6
149.05966	2.5
149.09634	3.3
149.13196	1.7
151.07562	3.1
153.09132	2.9
158.11014	1.4
161.05995	2.1
163.07536	2.6
163.11122	0.9
163.14911	1.5
165.09155	2.3
165.12766	0.9
173.13295	8.2
175.07561	3.0
177.09074	1.0
189.09044	0.9
191.14317	30.4
192.14584	1.4
201.09070	1.1
209.15364	35.4
210.15639	1.0
213.09100	1.5
219.08145	1.0
225.09094	0.9
231.10173	1.0
235.11060	1.2
236.08490	0.9
242.91071	0.9
246.99577	0.9
249.09111	1.0
261.09308	1.2
265.08734	1.5
277.08646	1.9
291.10144	2.6
293.11768	1.1
295.09680	1.0
297.11304	2.3
303.10211	0.8
307.09763	1.5
309.11362	1.8
316.39447	0.8
321.11172	2.0
322.11896	2.0
323.12604	1.2
333.11292	1.0
335.12790	1.9
341.13446	1.6
349.14481	1.9
379.15207	2.0
399.63187	0.9
453.16309	1.0
485.19778	3.3
503.18961	100.0
504.19284	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01871	2.7
57.03436	6.0
61.02927	6.3
69.03429	18.6
69.07092	1.5
71.30883	2.6
73.02926	4.7
76.00487	1.8
79.05502	2.7
81.03440	6.7
85.02907	38.1
86.09705	2.4
87.04456	1.9
91.03982	3.3
91.05510	2.6
94.04197	2.6
97.02892	18.4
99.04503	2.8
101.02391	4.6
103.05507	3.0
105.07031	3.0
109.02861	3.4
109.06488	3.0
121.06528	2.0
122.03686	5.7
123.04472	3.1
125.02356	1.9
127.03927	5.4
129.07001	2.3
131.04932	3.6
133.06548	2.1
137.05969	68.9
144.05745	1.9
145.05019	4.0
145.06523	4.3
149.06020	7.6
151.03897	4.3
151.07593	5.5
158.07278	3.2
160.07649	7.4
161.06052	5.6
163.07574	6.3
166.72021	1.7
174.06888	2.4
175.07541	10.6
177.05533	3.9
179.32355	1.7
185.04214	14.7
187.07513	15.3
189.09143	4.4
190.08531	1.6
191.07098	10.0
191.08669	2.2
193.06656	1.7
194.07370	2.4
199.07542	3.5
201.09178	6.9
202.07884	2.3
203.07034	3.6
203.08711	4.9
208.09705	13.2
209.09668	3.3
217.08609	8.0
219.08109	5.1
220.08890	2.0
222.06799	6.7
231.08104	3.5
234.10596	2.1
235.07634	6.3
237.09236	5.7
239.07068	1.7
247.07692	2.6
248.08382	5.4
249.09125	2.8
250.06398	5.0
251.07108	4.9
251.10706	4.7
252.08037	3.4
253.08649	2.5
259.07523	2.8
261.09158	4.4
263.07034	3.4
263.10751	5.7
264.07858	5.6
265.08597	51.8
266.09366	6.8
267.06464	2.4
267.10428	2.5
269.08224	2.1
277.08554	5.0
279.06915	2.6
279.10284	7.5
280.11032	2.6
281.08084	1.8
281.11728	3.0
282.09021	7.0
284.10812	2.3
291.10022	11.4
292.10812	2.5
293.08337	4.0
293.11890	4.6
294.09009	2.6
295.09793	10.3
295.12988	3.2
296.10486	5.4
297.11295	14.1
297.14957	5.3
308.10587	5.4
309.11197	60.8
310.11865	5.0
311.12711	15.6
317.08527	2.9
323.12708	29.4
323.15872	2.1
325.11072	2.5
325.14365	11.0
337.14627	2.0
340.02054	4.5
341.02841	7.8
341.13831	100.0
342.14188	10.8
343.15329	13.7
351.09485	10.4
371.16907	2.6
379.15704	2.0
419.14493	2.0
503.08157	64.5
503.14499	3.4
503.20868	39.9
504.08426	5.8
504.18542	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.8
50.46693	0.3
51.02381	2.0
53.03715	0.5
53.03949	8.7
55.01858	0.6
55.05511	0.5
59.57187	0.3
65.71970	0.3
67.05502	0.4
69.07059	0.3
77.03919	2.3
79.05496	0.4
81.03400	0.8
81.07078	0.3
83.04949	0.4
91.05440	0.4
93.93105	0.3
95.04971	8.8
95.08599	0.4
105.03392	100.0
105.04533	5.0
106.03711	1.8
109.10172	0.4
112.74169	0.3
119.08562	0.5
145.10109	0.3
170.65450	0.3
261.09045	0.4
263.07025	0.3
277.08762	0.3
279.10284	0.3
291.10059	0.4
292.10886	0.6
293.08148	0.4
293.11722	0.4
308.10486	0.4
320.10501	0.3
321.11234	0.5
323.12799	0.5
331.11682	1.5
335.12839	0.9
336.09946	0.4
336.13568	0.4
337.10599	0.8
338.11533	0.6
339.15701	0.4
351.12338	1.3
352.13040	1.3
366.14667	0.5
367.15530	2.2
383.15002	1.8
397.16577	1.3
398.17233	0.4
440.16052	0.4
471.18228	0.7
472.18799	2.6
473.18439	0.4
482.76041	0.3
485.19583	0.5
488.18274	1.0
493.80844	0.3
503.20605	1.9
503.27606	1.4
504.21103	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43493	0.2
52.32203	0.2
55.01867	0.5
55.05503	0.5
57.03429	0.7
62.78963	0.2
69.03436	1.2
69.07085	0.2
70.06602	0.4
70.85575	0.5
71.05001	0.3
72.08161	0.3
73.02914	0.7
79.05508	0.3
83.04980	0.4
85.02917	1.2
85.06528	0.3
91.05461	0.6
93.07044	0.4
97.02897	1.0
105.07063	0.3
107.08593	0.8
109.02838	0.2
109.10175	0.4
111.04423	0.3
115.03950	0.5
119.04951	1.0
119.08590	0.5
121.10152	0.9
127.03889	0.5
131.08588	0.3
132.07449	0.3
133.04987	0.6
133.10129	0.5
135.08057	0.3
137.06035	0.4
137.09648	0.3
139.03873	0.3
140.90669	0.2
144.08127	0.8
145.04997	0.4
145.08653	0.4
146.08908	0.3
147.04419	4.7
149.09631	0.7
163.14960	0.3
167.10724	0.3
173.13245	0.5
185.02953	0.4
191.14304	2.0
203.05238	1.2
209.15309	1.3
210.45918	0.2
245.06178	0.3
275.07196	0.9
288.45837	0.2
323.18051	0.3
333.07907	0.4
335.09488	25.6
336.09903	1.1
371.16791	3.2
459.18521	0.7
503.20987	100.0
504.21338	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2488
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
53.03943	2.8
55.01871	20.2
55.05504	3.9
57.03438	42.6
57.07059	1.2
59.04998	4.0
61.02641	1.4
61.02925	10.9
61.41237	0.9
67.05501	5.0
69.03078	1.8
69.03430	23.2
69.07063	11.8
70.19869	0.9
70.65680	2.3
70.66015	1.0
71.01347	7.5
71.04998	1.6
73.02915	32.7
77.02431	1.0
79.05489	5.2
81.03410	2.4
81.07050	9.2
83.04990	2.4
83.08619	2.8
85.02907	51.1
85.06537	2.0
87.04453	5.8
90.80474	1.1
91.05434	5.6
93.07051	8.7
95.04970	12.5
95.08612	7.3
97.02884	22.1
97.06541	6.8
99.04462	2.4
103.03959	5.4
105.06416	1.5
105.07014	7.5
107.04955	1.1
107.08579	8.9
109.02868	3.4
109.06522	7.8
109.10138	5.2
111.04455	1.7
111.08102	1.3
111.11785	1.1
113.05999	1.3
115.03927	27.1
117.07012	2.0
119.08564	8.1
121.06509	6.5
121.10121	6.4
122.07317	4.7
123.04407	1.0
123.08070	25.4
123.11705	2.7
125.06000	1.3
125.09636	1.1
127.03915	7.6
129.07109	1.2
131.08559	5.5
132.08873	1.5
133.04962	45.9
133.10114	9.7
135.08044	39.6
135.11705	5.5
137.06000	4.4
137.09613	2.8
139.03915	1.1
139.07474	1.4
139.11115	1.0
143.08586	2.7
145.04955	10.9
145.10123	4.2
147.08049	2.7
147.11703	5.9
149.09636	2.4
149.13313	1.9
151.07478	1.3
157.10164	2.3
159.06496	1.1
161.09669	2.0
161.13258	1.4
163.06026	2.2
163.07541	1.0
163.14874	1.1
165.09154	2.6
165.12752	29.0
169.10121	1.3
171.11688	1.4
173.13231	6.7
174.13589	5.5
175.11234	2.7
175.14874	4.7
176.12001	3.7
177.09108	1.6
183.11803	1.3
189.07564	1.2
191.14305	100.0
192.09296	1.2
192.14682	3.3
193.15919	15.1
197.13348	1.2
203.05276	1.9
207.11855	1.5
207.13882	3.0
209.13422	2.1
209.15359	17.7
223.11328	1.1
225.09120	1.1
259.08145	1.4
285.51074	1.1
289.08957	1.7
297.16989	1.7
309.16589	1.0
323.18668	1.6
339.17963	1.2
341.19696	2.6
371.20740	3.1
378.78220	0.9
457.20471	1.3
488.21561	1.0
503.24695	40.9
503.31738	8.9
504.24927	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2466
Annotation	Gln Asn Leu Glu
Peak:m/z	Relative Intensity
53.03940	0.5
55.01879	0.9
55.05508	1.4
56.06947	0.4
57.03431	1.8
57.07066	0.4
59.05000	1.2
61.02930	0.8
67.05496	0.9
69.03432	1.8
69.07071	6.7
71.04987	0.5
71.29228	0.6
72.74332	0.4
73.02919	1.8
79.05498	1.5
81.03148	0.6
81.07071	1.5
83.04995	1.2
83.08622	0.7
85.02917	3.3
87.04465	0.5
88.98792	0.4
91.05470	0.8
93.07046	1.0
95.04979	1.2
95.08624	1.4
97.02894	1.5
97.06549	1.1
99.04449	0.6
105.07034	1.2
107.08615	1.3
108.19253	0.4
109.02863	0.5
109.06493	0.5
109.10160	1.1
111.04436	0.7
111.11690	3.0
111.30693	0.4
115.03964	1.2
119.08586	1.6
121.06551	0.7
123.08101	1.0
123.11726	0.4
127.03680	8.1
129.12767	1.5
131.08582	0.7
133.04968	1.5
133.10172	1.8
135.08061	1.5
135.11732	0.7
137.05995	1.1
137.09621	0.9
139.03914	0.5
143.08589	0.5
145.04965	1.2
145.10172	0.9
147.11699	0.5
159.11682	0.6
163.06081	0.5
163.07532	0.5
165.09169	0.8
165.12790	1.1
167.07068	0.5
173.09506	0.5
173.13304	0.7
174.13693	0.4
175.07611	0.5
177.19138	0.4
185.04228	5.1
188.00194	0.4
191.14322	3.5
203.05270	13.8
215.14413	0.5
234.52014	0.5
249.06801	1.1
263.10538	0.5
289.08932	28.3
290.09418	0.8
295.07300	0.6
429.20187	0.4
440.38785	0.5
503.24652	100.0
504.24991	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2484
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
55.01875	2.8
55.05505	3.3
57.03434	3.3
57.07083	2.4
67.05496	6.0
69.03426	51.6
69.07055	2.9
71.04980	1.7
71.29187	2.1
73.02918	3.6
76.85215	1.4
79.05476	4.9
81.07048	9.0
83.04970	3.0
83.08629	2.4
85.02903	6.7
85.06544	4.4
89.95028	1.7
91.05473	5.9
93.07050	4.3
95.08598	13.1
97.02882	4.1
97.06532	4.7
105.07010	10.0
107.04970	1.8
107.08590	17.9
109.06541	7.7
109.10155	3.9
111.08063	3.6
119.08567	5.6
121.06534	3.1
121.10143	11.7
122.03656	3.0
123.08045	3.8
123.11691	6.6
125.09625	22.0
129.06914	1.6
131.08551	9.5
133.04955	1.9
133.06473	1.9
133.10109	19.1
135.08049	12.1
135.11685	5.6
137.05969	20.4
137.09601	2.7
143.08618	2.7
145.10118	5.2
147.11702	5.3
149.09621	6.9
149.13243	4.6
151.07568	3.2
151.11203	4.5
153.09105	6.3
158.10890	5.2
161.05975	3.7
161.09619	2.6
162.13368	1.6
163.07536	3.5
163.11201	2.8
163.14818	5.0
165.09146	4.7
165.12714	2.9
173.13254	28.3
175.07483	3.2
176.11984	2.2
177.09178	1.7
191.14307	79.6
192.14706	5.1
209.15359	100.0
210.15750	3.7
231.10147	2.6
257.86087	1.8
291.09946	1.8
297.11121	2.5
309.11020	2.0
321.11139	2.3
485.19678	2.7
503.18930	83.5
504.18991	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
63.40226	0.1
67.22490	0.1
71.30645	0.2
95.04980	0.2
105.03384	2.0
105.04450	0.2
107.08538	0.2
118.16976	0.2
118.48967	0.2
142.67435	0.2
146.28752	0.2
189.76045	0.2
326.41669	0.2
349.10645	0.2
371.26270	0.2
381.13464	0.3
419.11041	0.2
441.27582	4.6
442.28271	0.4
459.28635	1.6
485.26685	4.4
486.26874	0.3
503.27670	100.0
504.27975	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86198	0.7
74.32548	0.5
80.24669	0.6
103.60576	0.6
120.23145	0.5
122.20329	0.5
142.77458	0.6
161.05667	0.6
179.29181	0.5
190.52855	0.6
191.35773	0.6
229.36339	0.8
301.57358	0.6
339.18356	0.6
401.24359	0.8
441.27664	3.4
459.28464	1.4
485.26611	20.9
485.78702	0.7
486.26889	2.1
503.27682	100.0
504.28061	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	0.7
69.38155	3.6
81.07036	0.9
95.08585	0.8
105.03437	0.7
105.07065	0.8
109.10160	0.7
130.28651	0.6
207.40852	0.6
295.42920	0.6
441.27661	2.9
459.28696	1.7
485.26627	20.9
486.26825	2.1
503.27655	100.0
504.27979	8.2
513.49463	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50731	0.4
54.33617	0.4
67.05522	0.4
69.63667	1.0
69.64054	1.0
81.07050	0.4
83.04986	0.4
93.07065	0.9
95.08628	0.8
98.98411	0.4
105.03391	1.4
105.07001	0.4
106.30418	0.4
107.08588	0.7
119.37244	0.4
134.08574	0.4
161.13425	0.4
192.49222	0.4
199.14952	0.4
209.01256	0.5
258.70355	0.4
305.18655	0.5
357.06375	0.4
363.19440	1.4
459.28650	3.9
461.18356	0.9
485.26630	0.9
503.27682	100.0
504.28006	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
63.25815	0.3
63.73634	0.2
65.58380	0.3
67.05484	0.7
71.31805	0.4
81.07058	0.5
81.76637	0.3
86.09718	0.4
95.08554	0.3
105.03381	1.8
107.08569	0.4
109.10173	0.6
111.72543	0.3
116.14510	0.3
119.08634	0.4
130.62791	0.4
133.10211	0.3
147.11644	0.3
168.00389	0.3
210.94533	0.3
249.42308	0.3
254.23912	0.3
267.06873	0.3
351.12451	0.7
356.16022	0.4
387.22946	0.4
401.24149	0.6
441.27618	7.4
442.28070	0.6
445.23474	12.1
446.23990	0.9
446.45810	0.3
485.26608	43.1
486.27005	4.7
503.27655	100.0
504.27979	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52260	0.4
53.03947	0.4
55.05503	0.9
56.35180	0.4
57.61717	0.4
57.69462	0.4
65.22915	0.4
67.05504	1.7
69.07048	0.4
69.23392	2.0
69.23793	0.6
70.61561	0.3
79.05483	0.8
81.07068	2.1
83.04977	2.7
91.05499	1.3
93.07043	1.3
95.04967	0.7
95.08606	2.0
98.98531	0.5
105.03381	0.9
105.07044	1.1
107.08604	1.2
109.06525	0.4
109.10160	1.3
113.67896	0.5
117.07069	0.4
119.08607	1.2
121.06562	0.4
121.10137	0.6
131.08591	0.6
133.02632	0.6
133.10127	0.5
137.09630	0.4
139.17589	0.4
143.08562	0.4
145.10178	1.2
147.11700	0.4
157.10143	0.4
159.11761	0.5
169.10146	0.4
173.13338	0.4
179.14299	0.6
219.17442	0.5
299.92575	0.4
331.26428	0.8
405.29919	0.6
407.25894	0.9
441.27472	0.6
445.23651	0.6
459.28958	3.4
485.26645	8.5
486.27197	0.9
503.27698	100.0
504.28012	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3731
Annotation	Methyl tormentate
Peak:m/z	Relative Intensity
53.03952	9.2
55.01867	4.8
55.05513	61.4
57.03453	2.8
57.07081	15.7
59.00158	2.7
61.67110	2.1
65.03956	2.7
67.05508	31.5
69.07069	53.6
69.24824	8.1
69.25239	7.9
71.04995	2.4
71.08633	10.1
79.05492	28.7
81.03419	100.0
81.07060	45.5
83.04988	6.8
83.08618	61.1
85.06554	4.5
85.10198	6.5
91.05479	31.6
93.07053	27.4
95.04966	30.4
95.08607	64.1
97.02866	2.8
97.06543	3.9
97.10175	36.3
99.08100	3.2
105.03392	5.4
105.07036	27.9
107.04974	8.2
107.08604	25.0
109.06528	13.7
109.10155	32.6
111.08071	12.8
111.11705	11.9
115.05492	2.3
117.07000	4.7
119.08578	28.4
121.06528	3.5
121.10137	29.8
123.08098	5.5
123.11713	15.3
125.13255	2.8
129.07024	12.9
131.08554	15.5
133.06400	3.2
133.10133	22.4
135.11694	12.5
137.09563	2.7
137.13272	5.3
142.07790	3.5
142.82747	2.4
143.08589	2.5
145.10138	10.1
147.08023	3.8
147.11670	19.0
149.09615	6.2
149.13309	5.2
157.10114	12.6
159.11702	11.6
161.09564	2.8
161.13266	4.7
163.11183	3.9
163.14807	4.1
167.77141	2.4
171.11711	5.9
173.13290	9.8
175.11182	10.4
175.14789	4.5
177.12723	11.0
186.44299	2.2
187.14937	3.9
189.16458	3.2
191.14398	3.2
193.12244	38.7
194.12729	2.6
195.97864	2.2
197.13301	3.0
203.03255	2.9
207.13770	3.3
215.14357	2.8
221.15367	4.1
231.17461	3.9
233.15311	2.5
233.19054	2.3
237.22182	3.8
239.16264	2.8
247.16777	3.0
249.12245	2.2
249.14885	9.2
249.18402	2.8
251.20035	16.1
253.11075	2.6
265.21701	2.9
407.33344	2.4
435.32333	4.8
453.33429	6.8
503.26120	4.1
503.37451	63.6
504.37631	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.7
53.03943	6.2
55.01875	2.7
55.05511	47.5
57.03433	1.5
57.07074	17.1
65.03928	1.7
67.05502	16.6
68.54070	0.5
69.03427	2.1
69.07066	48.6
69.20069	3.9
71.04992	1.9
71.08284	0.9
71.08633	11.4
75.17327	0.5
75.85045	0.5
79.05490	14.8
81.03415	100.0
81.07058	13.4
82.03754	1.6
83.04982	3.1
83.08616	57.5
84.08927	0.7
85.02864	0.6
85.10186	3.4
88.37388	0.5
91.05477	21.4
93.07042	9.5
95.04967	29.1
95.08597	5.2
97.02888	2.5
97.06558	1.8
97.10167	31.9
98.23334	1.3
99.08122	0.6
105.03410	0.8
105.04495	0.7
105.07029	14.3
107.04947	5.7
107.08607	3.6
109.06516	2.2
109.10139	2.7
111.04467	1.2
111.08083	8.3
111.11723	10.3
115.05442	2.0
117.07024	2.2
119.04962	1.2
119.08572	12.8
121.06501	2.8
121.10126	5.7
123.08015	0.8
125.13296	2.7
127.49629	0.5
128.06241	0.8
129.06995	10.1
129.07883	0.8
131.08568	9.6
133.06483	3.3
133.10152	3.9
135.11696	0.8
137.05992	0.6
137.09607	2.0
137.11659	0.6
139.14772	1.0
142.07814	3.3
145.10141	1.4
147.08064	3.8
147.11674	6.1
149.09647	4.3
153.16362	0.6
157.10115	9.1
163.11217	0.6
165.12759	2.4
175.11200	10.5
176.87427	0.6
185.13237	0.7
193.12239	31.3
194.12634	0.5
211.13344	0.7
231.13876	1.5
237.22136	2.1
249.14877	5.6
437.16238	0.6
483.49243	0.6
492.63318	0.6
503.37286	54.6
504.37598	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.2
55.01871	0.4
57.03431	0.5
61.02927	0.6
65.03936	0.8
69.03430	1.6
71.05002	0.2
71.29655	0.2
73.02916	0.2
81.03397	0.4
83.06131	0.2
85.02907	4.5
87.04529	0.2
91.05486	7.4
92.05804	0.3
97.02899	1.3
103.85091	0.2
107.08556	0.3
109.02898	0.4
115.03924	0.3
116.48012	0.2
119.04951	19.1
120.05283	0.6
127.03943	0.9
133.10150	0.3
137.05975	0.7
144.08043	0.3
145.04980	0.9
147.04414	100.0
148.04758	3.2
161.05948	0.4
163.03969	0.2
165.05443	0.3
189.05444	0.6
191.03465	0.2
278.45508	0.2
279.08627	0.4
307.07986	0.4
325.09262	2.8
325.12805	0.3
359.30557	0.2
456.58148	0.2
504.21259	1.9
505.21957	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93042	2.8
53.03938	5.5
55.05494	2.4
57.03422	5.8
57.91973	2.3
61.02928	4.7
61.03225	2.4
62.96861	2.7
64.67886	2.3
69.03431	21.5
70.38387	7.8
70.78484	2.4
71.05011	6.4
73.02911	8.0
75.96372	2.5
81.03408	15.1
82.08286	2.6
85.02906	76.8
91.05476	3.6
93.10504	3.2
95.08606	4.4
96.22813	2.3
97.02895	36.8
99.04458	38.9
99.08085	4.9
103.03944	73.9
103.05473	3.5
105.07040	7.1
107.04965	12.0
107.08572	3.3
109.02869	41.4
111.04419	3.1
115.03953	5.7
117.07028	4.7
121.06466	4.9
123.08063	2.8
127.03917	100.0
131.04919	3.3
133.06491	4.5
133.10101	4.9
137.05968	10.9
145.03864	5.2
145.04958	68.0
145.06433	7.1
147.04465	8.6
149.42761	2.6
151.07550	6.1
163.06021	31.5
163.07536	9.6
165.09105	8.3
169.05026	4.7
175.07593	6.3
175.14885	4.9
177.09125	5.5
181.08655	17.1
187.06015	10.4
187.07529	3.6
189.09106	5.5
191.07097	6.2
193.15875	3.5
201.09193	6.0
205.06999	3.6
205.08652	5.5
211.16966	10.7
217.08669	3.7
229.08568	6.2
247.09796	3.1
259.09641	3.5
271.07941	4.4
289.10565	4.6
307.10190	6.0
367.14084	6.2
458.99179	3.0
504.19287	30.0
505.20367	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.5
53.31872	1.9
55.05515	55.6
63.81635	2.3
67.05520	6.5
67.18816	2.0
69.07061	2.7
71.30389	3.8
77.57255	1.9
79.05495	4.0
81.07053	5.9
83.04987	100.0
91.05471	4.0
93.07063	5.0
95.04990	5.3
95.08604	4.9
105.03391	25.6
105.07031	6.1
106.03748	3.5
107.08602	5.7
109.10200	4.3
111.04542	2.1
111.90540	2.3
117.06928	2.2
119.08611	5.8
133.10138	3.5
134.06061	6.0
145.10120	3.6
171.11746	2.3
206.08165	7.7
210.06870	2.0
210.74809	2.5
220.09821	3.8
294.30185	2.1
303.04678	2.2
304.05661	3.3
313.10767	2.8
323.12622	4.3
355.15524	5.6
367.53812	2.3
387.18005	15.3
468.34372	4.3
469.22153	8.6
486.35458	3.7
504.36768	19.1
505.25671	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.1
55.05516	22.7
56.83538	3.3
57.03429	3.0
57.07079	4.1
59.04997	3.1
65.03944	3.6
67.05502	25.3
67.34379	3.2
69.03444	5.8
69.07069	14.4
69.33479	9.7
69.33902	12.4
77.03915	4.5
79.05481	13.9
81.07064	32.9
83.04990	18.8
83.08619	9.4
85.06522	3.4
91.05481	28.7
93.07037	36.7
95.04958	9.6
95.08599	46.7
96.91551	3.4
97.02881	8.5
97.06548	7.4
99.04464	4.6
105.03388	100.0
105.04482	5.6
105.07032	37.4
106.00639	3.1
106.07353	3.3
107.04932	5.7
107.08598	27.1
109.06491	11.6
109.10162	15.8
111.04466	9.5
111.08075	15.3
115.05349	3.1
117.07037	10.2
119.08575	46.9
121.06527	13.5
121.10135	24.0
123.08079	9.8
123.11700	5.9
128.06337	3.5
129.07021	11.2
131.08572	32.7
133.10124	36.9
135.08067	8.8
135.11673	10.1
137.05981	14.4
137.09618	3.8
139.07550	15.0
142.07837	5.6
143.08542	28.9
144.09369	3.6
145.10112	31.9
145.18663	3.8
147.08034	8.4
147.11716	18.7
149.09627	5.9
155.08574	13.9
156.09360	12.0
157.10133	31.3
158.10759	3.5
159.08015	4.5
159.11668	30.3
161.09644	15.7
161.13264	11.3
163.11212	16.6
167.08569	7.1
168.09322	6.1
169.10139	15.9
170.10881	9.4
171.11646	29.1
173.09639	12.0
173.13269	20.2
175.11163	8.1
181.10138	13.9
182.10954	3.8
183.11681	18.0
185.09653	5.3
185.13257	19.5
187.11174	6.6
187.14880	14.7
189.12764	9.0
189.16525	4.4
193.08615	5.4
193.10165	6.1
194.10931	5.1
195.11691	12.6
196.12479	5.6
197.13260	23.9
199.11226	5.8
199.14862	14.5
201.12912	5.1
201.16379	4.0
207.10136	7.8
207.11876	6.1
209.13252	12.7
210.13928	4.8
211.11160	4.2
211.14799	16.8
213.12801	9.6
213.16267	5.1
215.14313	9.0
217.15994	6.2
221.13342	5.9
223.14766	5.7
225.12758	5.3
225.16386	7.7
227.14359	8.5
227.17886	10.2
229.15891	6.7
235.14813	3.6
237.16290	4.3
239.14430	7.8
239.17975	9.5
241.19472	8.1
245.15372	6.1
251.18022	3.9
253.15894	5.1
253.19667	5.0
265.16034	4.0
267.17551	7.1
267.21158	4.7
269.18970	12.0
287.20316	4.1
293.19052	5.4
295.17230	4.1
295.20538	4.0
297.22150	4.9
305.18835	5.3
309.22223	6.3
327.22940	6.6
365.24832	14.5
367.22607	18.3
379.26331	4.0
383.25745	12.1
385.23486	5.1
389.24606	16.2
390.24756	4.3
397.27405	9.8
407.25778	77.3
408.26056	7.3
425.26929	37.6
447.31039	3.7
451.32300	4.6
504.28214	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.6
51.02378	2.1
53.03945	8.5
54.04274	0.9
55.05505	2.5
67.05493	2.4
69.07051	3.2
71.31391	0.6
75.97364	0.5
77.03919	1.9
79.05493	2.3
81.03413	1.3
81.07043	5.6
83.04996	1.5
83.08608	0.9
91.05491	3.2
93.07059	4.3
95.04968	9.2
95.08610	5.3
96.05300	2.2
97.02891	2.4
105.03389	100.0
105.04533	5.0
105.07021	6.0
106.03721	27.2
106.04880	1.1
107.08585	3.6
109.06519	2.8
109.10161	1.9
111.04459	0.6
111.08082	2.0
117.07008	1.7
119.08580	4.8
121.06508	1.3
121.10130	2.6
123.08068	0.7
123.11688	1.1
125.09674	0.7
129.07010	2.0
131.08580	3.4
133.06500	0.6
133.10126	3.5
135.08064	1.1
135.11673	1.7
137.05992	3.9
139.07565	1.0
141.06941	1.0
142.07773	1.5
143.08559	4.2
145.10126	5.4
147.08116	1.1
147.11699	3.6
148.90030	0.5
149.09631	1.0
149.13277	1.0
155.08551	1.3
156.09351	1.1
157.10101	5.0
159.08075	1.0
159.11667	4.8
161.09583	1.7
161.13266	2.4
163.07559	0.6
167.08463	0.6
169.10085	1.5
170.10872	0.6
171.11703	3.3
172.08698	0.8
173.09686	0.5
173.13275	2.4
175.11195	1.1
175.14894	0.8
181.10068	0.8
183.11679	2.1
185.13268	2.9
186.13890	0.6
187.11113	0.8
187.14857	3.5
187.16321	0.7
189.12730	0.6
195.11661	1.8
197.13240	2.2
199.14827	2.0
201.12845	0.7
201.16359	1.3
203.14276	0.6
207.10144	1.7
209.13332	0.7
211.14819	1.9
213.12764	0.6
213.16391	1.0
215.14218	1.3
223.14801	0.9
225.16454	0.7
227.14149	0.7
227.17947	2.4
229.15851	1.5
239.17941	0.5
241.19467	2.7
243.21010	0.8
247.38556	0.6
250.09540	0.7
251.18021	1.6
255.21182	0.7
267.21036	0.6
269.18945	2.9
287.20007	0.8
295.17017	0.7
297.21930	0.7
327.23215	1.2
331.11850	0.9
332.12164	0.8
336.13150	0.7
338.11060	0.9
339.12134	0.8
348.32843	0.6
352.12793	0.9
353.13483	0.8
365.25031	1.2
366.14279	1.0
367.15271	1.2
367.22656	1.1
368.15833	1.1
383.14719	0.8
383.25732	3.3
384.15277	1.0
385.23602	1.2
389.24692	0.7
397.27301	1.2
398.16840	0.9
407.25858	4.0
425.26694	7.1
441.16812	0.6
472.18350	1.9
473.19266	2.1
484.62509	0.6
486.19864	2.3
504.20883	3.8
504.27991	14.1
505.21298	0.8
505.30679	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	14.8
55.05510	18.9
57.07068	3.7
67.05500	39.4
69.03432	10.9
69.07067	12.6
71.05009	5.9
71.29830	4.6
72.23964	3.6
79.05493	29.2
81.07059	56.5
83.04973	28.0
83.08645	10.6
85.06541	7.0
91.05470	33.0
93.07034	61.7
95.04954	24.1
95.08607	91.9
96.08948	4.0
97.06538	11.3
99.04483	4.9
105.03397	47.3
105.07028	51.4
107.08600	44.2
109.06535	37.0
109.10156	33.4
111.04459	23.8
111.08089	19.1
117.07025	14.2
119.08569	55.7
121.06503	11.4
121.10132	19.7
123.08062	41.9
123.11694	8.0
125.02351	31.6
125.09598	8.4
128.06226	7.0
129.07031	9.1
131.08553	36.7
133.06497	11.7
133.10133	73.1
133.11066	7.5
135.08031	26.2
135.11737	19.7
137.05980	22.5
137.09531	5.0
139.03905	5.6
139.07565	27.9
141.07011	6.3
141.09102	12.7
142.07767	7.3
143.08562	27.0
145.06459	5.9
145.10126	53.6
147.08037	13.3
147.11665	26.0
149.09647	16.9
149.13319	5.0
151.07547	4.6
153.05560	4.8
155.08577	15.4
157.10139	42.6
159.08112	10.3
159.11662	43.2
161.09613	20.2
161.13255	22.4
163.07596	7.2
163.11288	4.3
165.05515	9.2
165.06940	4.5
167.08594	7.7
168.09360	5.5
169.08698	9.9
169.10155	34.6
171.08058	7.5
171.11691	43.2
173.09662	16.6
173.13245	26.4
175.11208	13.9
175.14828	5.2
179.07079	7.4
179.08592	10.4
179.10609	6.9
181.10164	15.0
183.11642	28.0
185.09605	9.8
185.13332	20.9
187.07550	5.2
187.11214	14.6
187.14841	10.2
189.12799	6.3
193.10150	5.7
195.08104	5.1
195.11732	17.8
197.09627	12.3
197.13272	12.8
199.11301	8.0
199.14828	14.8
201.12761	10.2
201.16386	5.4
202.10007	4.4
205.08650	11.3
207.08122	4.9
207.11732	9.8
209.09679	6.8
209.13274	16.5
210.06786	18.6
211.07407	3.9
211.11316	9.1
211.14777	20.8
213.12833	10.4
213.16327	6.0
215.14354	5.0
221.13333	7.3
223.14816	11.4
225.09122	15.1
225.12834	6.7
225.16370	8.9
227.10738	5.1
227.14240	9.4
229.15814	27.1
229.19664	4.8
232.12515	6.0
235.14874	8.6
237.11066	5.5
237.16460	9.5
239.06906	5.1
239.14320	36.8
240.07889	6.8
241.10571	5.4
245.15350	7.2
247.14819	9.7
247.17014	9.9
252.07890	6.4
253.08707	8.7
253.15904	8.5
255.13766	4.2
255.17380	6.0
257.15417	18.0
265.15906	20.5
268.07358	9.9
269.15536	4.7
271.17050	6.5
273.18625	4.8
279.17426	6.3
281.15350	5.1
283.09680	16.8
283.16943	24.1
293.15247	5.0
297.07544	4.9
297.18451	9.7
299.16855	4.2
301.17987	13.5
305.18930	6.8
311.09122	40.0
312.10034	8.7
313.10815	11.6
315.19403	6.1
323.20099	11.1
337.18164	6.7
339.23413	5.0
341.20969	20.2
343.11752	70.3
359.22241	14.3
405.24396	7.8
411.21771	4.9
415.22742	7.6
423.25201	7.3
429.22610	10.5
433.23859	31.4
451.24612	36.7
469.25800	64.0
487.26938	100.0
488.27133	11.5
505.24829	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.8
55.05503	14.6
58.88387	3.4
66.86580	4.0
67.05503	25.7
69.07063	20.0
69.19341	25.2
69.19775	12.6
69.88136	4.3
79.05482	17.9
81.07056	39.7
83.04971	16.3
83.08618	6.0
91.05491	21.2
93.07035	31.2
95.04951	11.5
95.08614	39.2
105.03452	4.4
105.07042	31.7
107.08581	28.5
109.06522	100.0
109.10154	19.2
110.06908	3.5
111.04422	9.6
111.08084	6.2
117.07022	7.7
119.04943	4.5
119.08579	30.0
121.06513	7.3
121.10147	26.2
123.08040	4.4
123.11723	8.0
128.50792	4.1
129.07007	9.7
131.08580	25.9
133.10112	19.8
135.08066	6.5
135.11665	15.4
137.05962	23.2
141.07007	5.4
142.07787	7.0
143.08551	21.0
145.10152	29.8
146.10477	4.2
147.08098	5.2
147.11664	23.7
149.09587	6.9
149.13234	5.2
155.07056	46.7
155.08388	7.8
156.09253	6.4
157.10117	25.1
159.07962	5.3
159.11720	34.8
161.09593	6.7
161.13208	10.8
167.08516	6.6
169.10130	12.8
171.11635	19.7
173.13235	27.0
174.13614	5.0
175.11203	6.4
175.14838	9.8
183.11679	20.0
184.07277	5.3
185.13246	13.2
187.11220	7.7
187.14812	18.7
193.10106	6.7
194.10838	5.0
195.11713	5.0
197.13205	14.3
199.14783	8.3
201.16525	5.8
209.13339	9.8
211.14818	7.0
213.16264	7.8
215.14282	8.8
221.13344	7.1
223.11270	4.3
223.14891	6.1
225.16397	7.0
227.18057	9.5
229.19588	24.2
231.17424	8.4
239.14391	5.4
241.19383	6.3
243.21057	21.0
249.12474	4.9
251.17966	5.3
253.19600	8.9
257.64575	4.2
267.17377	5.0
269.18973	5.9
271.20605	38.1
297.18564	5.6
321.18671	4.6
365.24780	6.2
379.26419	5.1
383.25854	10.4
385.23679	4.9
389.24707	7.5
397.27454	5.0
405.24197	9.9
407.25909	10.3
425.26691	15.6
426.70706	4.5
451.31491	5.4
504.27841	10.9
505.25394	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.6
55.05506	27.8
59.04990	5.0
67.05505	32.0
69.07071	26.8
70.20409	3.8
71.29971	4.7
71.30310	4.3
71.30668	4.2
79.05492	20.8
81.07055	29.8
83.04976	42.6
83.08634	11.8
86.09727	3.5
91.05476	25.5
93.07037	40.0
95.04970	14.9
95.08608	49.5
97.06538	7.5
100.74890	3.6
105.03392	28.7
105.04494	5.3
105.07040	48.9
107.08575	35.3
109.06533	5.9
109.10136	26.9
111.04427	5.4
111.08092	12.1
117.07035	11.9
119.08566	42.6
121.06527	4.6
121.10151	19.2
123.08091	16.7
123.11692	6.2
128.06273	4.3
129.06998	10.6
130.07718	4.3
131.08560	30.5
133.10109	37.0
135.08069	6.2
135.11697	12.0
139.07477	6.5
141.06978	5.5
141.09123	6.1
142.07753	9.4
143.08543	33.3
145.06511	4.5
145.10106	41.9
147.11707	18.2
149.09596	5.2
155.08563	19.9
156.09293	7.8
157.10100	37.6
159.08041	5.6
159.11662	34.2
161.09602	14.0
161.13257	17.1
163.11188	6.0
167.08400	5.3
169.10127	12.2
170.10930	5.5
171.08046	4.3
171.11691	29.2
173.09570	10.1
173.13220	23.4
175.11174	12.6
175.14813	6.3
179.08618	7.3
180.09367	5.0
181.10081	6.6
183.11671	15.5
185.09636	4.3
185.13255	20.3
187.11195	10.9
187.14833	17.4
189.12770	11.0
195.11736	11.1
197.13309	13.3
198.14035	3.7
199.11104	6.0
199.14836	10.3
201.12877	5.3
201.16296	6.3
203.14375	5.5
209.13239	8.9
211.14830	12.9
213.12675	7.5
213.16335	7.9
215.14212	8.2
221.13187	5.4
221.99480	3.6
223.14812	7.2
225.12726	6.2
225.16527	7.0
227.17825	20.9
229.12242	4.1
229.15826	7.0
237.16275	5.1
239.14215	5.0
239.17838	8.0
241.19553	13.8
249.16370	5.6
253.16051	5.3
253.19489	6.2
255.17468	8.3
257.15271	4.0
267.17401	5.9
269.18927	19.5
276.20401	4.6
304.17764	4.7
336.09814	4.2
337.10580	5.6
343.11890	6.8
367.26346	25.2
369.24231	14.3
381.27887	10.4
383.14984	8.0
391.26270	18.3
409.27313	58.9
423.28876	5.8
433.27246	15.8
447.25113	30.2
451.28113	10.6
460.29022	6.5
469.29507	11.5
474.08395	3.9
504.28119	75.4
504.34018	4.0
505.29813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.0
55.05510	11.2
57.07068	2.2
64.63263	1.7
67.05504	12.5
69.07064	8.0
69.28620	13.2
76.26794	2.0
79.05492	5.1
81.07058	17.8
83.04961	2.1
83.08612	4.3
85.06557	2.6
91.05477	7.5
93.07034	17.2
95.04910	2.3
95.08604	42.6
97.06522	1.8
97.10156	6.3
99.04411	4.1
105.07018	11.5
107.08593	21.9
109.06516	3.2
109.10155	18.0
111.04475	4.4
111.08089	6.8
113.06026	3.0
117.06989	3.0
119.08591	18.4
120.50055	2.0
121.06514	3.5
121.10138	13.8
123.08060	5.8
123.11709	4.3
125.09652	2.0
129.07048	2.2
131.08545	9.1
133.10138	16.5
135.08023	2.4
135.11731	9.0
135.32498	1.9
137.13220	2.4
139.07549	2.1
141.09126	2.6
143.08575	6.1
145.10141	17.1
147.11717	10.8
149.13300	4.4
155.08508	4.0
157.10147	9.7
159.11673	18.4
161.09656	7.6
161.13263	6.8
166.90662	1.9
169.10052	4.7
171.11658	9.6
173.09668	3.7
173.13298	9.3
175.11218	8.0
175.14847	3.6
177.12851	2.2
183.11685	3.9
185.13249	10.3
187.11255	3.0
187.14809	9.8
189.12787	5.8
189.16415	3.2
191.10738	2.0
193.12329	2.6
197.13284	4.8
198.73682	2.1
199.11194	2.0
199.14835	6.7
201.12764	3.4
201.16455	2.6
203.14268	2.8
209.13321	4.5
211.14836	5.7
213.12828	5.0
213.16417	5.4
215.14386	4.9
215.17960	2.3
217.15968	2.8
219.13831	3.0
219.17473	2.6
227.14345	2.7
229.15941	2.6
229.19496	2.1
231.13745	2.5
233.15480	4.8
235.16949	3.6
245.15471	3.7
247.17058	3.4
249.18427	2.3
255.17383	2.6
287.20111	2.4
293.22733	3.0
311.23804	2.8
327.23318	4.2
329.24677	5.8
337.25043	2.2
348.39108	1.8
351.23334	2.3
369.24167	2.5
387.25052	2.9
409.30951	16.9
413.07541	2.4
433.30972	13.6
442.27789	5.4
451.32050	34.3
452.32147	2.4
460.29233	2.4
469.33136	15.5
486.26950	5.8
504.28015	100.0
505.28476	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.5
57.07080	1.8
67.05507	8.6
69.07062	4.0
69.55264	1.9
69.55684	4.5
71.04999	1.1
71.08628	0.9
79.05480	4.5
81.07061	10.9
83.04976	3.4
83.08613	4.2
85.06531	1.9
91.05498	3.8
93.07048	11.6
95.04969	2.6
95.08607	22.5
97.06531	2.0
97.10179	2.8
98.22675	1.6
98.24677	1.1
99.04460	2.1
101.06038	2.4
105.07023	9.6
106.70454	1.1
107.08603	14.4
107.60044	1.0
108.81616	1.0
109.06522	1.7
109.10161	10.0
110.50064	1.0
111.04424	1.1
111.08084	2.3
113.41914	1.1
117.07030	2.9
119.08590	10.3
121.06519	1.4
121.10148	10.4
123.08080	4.0
123.11713	3.4
125.09637	1.8
127.07551	1.2
129.07048	1.2
131.08588	5.3
133.10110	11.7
135.11728	6.6
135.15228	0.9
137.09634	1.1
139.07578	2.0
142.07753	1.1
143.08598	4.9
143.10776	1.3
144.09370	1.0
145.10121	12.1
147.08127	1.2
147.11722	7.7
149.09644	1.7
149.13251	1.2
153.09132	1.6
155.08592	1.0
156.09308	1.5
157.10126	8.3
159.04454	0.9
159.08118	1.4
159.11681	13.0
161.09628	3.6
161.13255	3.6
161.68477	1.0
163.11153	2.3
167.10689	1.1
169.10110	4.5
170.10965	1.9
171.11664	6.4
173.09691	1.8
173.13260	6.3
175.11166	4.0
175.14847	2.7
179.10637	2.3
181.12199	1.2
183.11667	2.3
185.09726	1.2
185.13307	4.0
186.10426	1.6
186.13988	1.1
187.11232	2.8
187.14848	7.8
189.12810	1.4
191.10678	1.2
191.14273	1.2
193.12346	1.9
194.10934	1.2
195.11623	1.3
197.13266	2.8
199.11244	1.6
199.14861	4.2
201.12738	2.3
201.16400	3.4
203.14355	1.4
207.13858	1.8
211.14862	4.1
213.12801	2.5
213.16409	3.2
215.14377	3.6
215.17880	1.4
217.15941	2.4
219.13873	2.6
219.17526	1.7
221.15317	2.5
223.14886	1.5
223.16913	1.5
225.16524	1.4
227.14357	2.1
227.18114	1.2
229.15909	2.7
229.19508	1.2
231.13860	2.6
231.17400	2.2
233.15404	2.6
235.16975	1.8
237.16400	1.3
241.16096	1.3
241.19733	1.2
245.15466	2.8
247.16994	2.8
249.18590	2.8
251.17885	1.5
259.16858	1.6
269.22662	1.6
293.22733	2.6
311.23727	2.5
327.23257	3.7
329.24768	3.1
337.25235	1.2
341.24692	1.4
369.24075	1.4
369.28027	1.8
373.12927	1.2
381.24344	1.6
387.25253	2.6
409.31039	15.2
415.29980	2.7
423.32297	1.4
433.31033	14.3
442.27771	5.1
451.32068	27.3
452.32434	2.4
460.29065	1.9
469.33090	10.8
470.33209	1.5
486.27023	3.6
504.27994	100.0
505.28348	7.6
506.82797	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	43.6
57.07080	9.6
60.96365	4.3
67.05508	31.0
69.07069	30.1
69.21292	33.6
71.04977	4.5
71.08660	5.5
76.86811	4.4
79.05498	25.5
81.07057	60.0
83.04963	12.3
83.08614	22.4
91.05470	23.9
93.07040	46.3
95.04980	5.3
95.08604	94.7
97.06522	6.4
97.10184	15.1
98.77992	5.8
99.04448	5.6
105.03406	4.7
105.07021	38.6
107.08595	55.8
109.06598	4.8
109.10152	32.5
111.04411	8.7
111.08092	15.6
117.07011	7.2
119.08587	42.4
121.06507	7.5
121.10169	39.8
123.08096	12.2
123.11695	10.9
129.07002	7.0
131.08565	22.4
133.10121	41.7
135.08075	6.7
135.11696	20.3
139.07538	6.1
142.07791	5.2
143.08551	7.3
145.10136	43.3
147.07993	8.2
147.11708	26.3
149.09587	7.1
149.13264	7.5
153.09081	5.4
157.10129	33.0
159.11653	45.9
161.09627	14.6
161.13280	12.4
169.10144	12.4
171.11710	21.8
173.13257	21.0
175.11223	14.8
175.14833	9.1
185.09641	5.2
185.13261	19.6
186.10478	5.1
187.11105	6.3
187.14827	19.8
189.12700	5.4
189.16316	6.5
195.13875	4.9
197.13278	11.2
198.12225	4.7
199.11066	8.0
199.14792	15.6
201.12837	6.9
201.16487	6.3
209.13359	6.7
211.14772	6.2
213.12807	6.5
215.14322	10.2
215.18071	5.6
219.13858	7.5
219.17485	9.2
223.14767	6.8
223.16902	10.3
229.15776	5.8
233.15482	12.1
240.65367	6.5
245.15378	9.3
249.18504	8.9
261.18661	6.1
273.18716	6.3
293.22467	8.0
311.23734	15.3
327.23236	14.3
329.24670	13.8
387.25284	5.7
409.31131	50.0
433.30975	52.7
451.32126	100.0
452.32480	9.7
469.33258	42.0
505.38861	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	24.2
67.05503	16.9
68.96870	3.7
69.07077	19.0
69.21549	27.1
70.14867	4.0
71.08624	5.1
79.05492	12.2
81.07049	27.2
83.04983	7.3
83.08615	11.5
91.05475	9.4
93.07047	32.2
95.04975	6.2
95.08614	52.4
97.06545	6.6
97.10171	10.6
98.23452	3.7
99.04482	4.3
105.03411	6.9
105.07045	20.5
107.08598	34.3
109.10131	24.8
110.86369	3.7
111.04465	5.3
111.08068	9.7
119.08593	23.5
121.06533	5.4
121.10186	24.3
123.08079	5.9
123.11679	6.1
127.07553	3.8
131.08559	13.6
133.10098	26.0
135.11699	13.1
137.13289	6.0
143.08592	7.6
144.99532	3.7
145.10101	25.5
147.08043	3.8
147.11708	17.1
149.13229	10.0
155.08609	5.9
157.10143	16.2
159.11696	25.9
161.09637	8.5
161.13268	12.5
163.11206	7.5
163.14905	3.7
169.10092	6.2
171.11684	10.7
173.13246	12.5
175.11147	6.6
175.14870	5.8
177.12758	6.1
185.13332	12.0
187.14830	17.9
189.12662	6.2
189.16360	4.7
195.11731	5.4
195.13837	6.6
197.13344	6.3
199.11208	6.0
199.14853	6.1
201.12846	5.1
201.16393	9.7
205.15933	4.4
209.13284	6.7
213.16380	5.2
215.14323	9.0
219.17436	5.2
221.15276	9.4
229.15778	6.1
231.13898	5.4
231.17497	6.2
233.15425	12.2
234.89299	3.9
245.15453	8.6
247.16930	8.3
249.18550	5.8
251.37415	3.8
271.20569	4.8
289.21579	6.7
290.08643	4.3
293.22610	7.5
311.23712	8.2
327.23087	10.5
329.24710	6.4
369.28091	7.1
381.23950	7.4
409.31036	51.4
413.27045	4.8
433.30954	45.4
434.31595	5.2
451.31970	100.0
452.32507	9.3
469.33084	52.8
505.38739	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.5
55.05521	3.4
57.07060	2.3
63.45928	1.9
64.59229	1.8
67.05497	6.3
69.07077	5.4
70.06071	5.0
71.66896	2.1
79.05501	6.2
81.07056	10.4
81.07481	2.2
81.96923	2.1
83.04994	5.5
83.08622	4.6
91.05482	8.4
93.07039	15.6
95.04958	11.2
95.08607	32.2
97.10143	2.8
97.11243	1.9
99.04453	2.4
105.03397	100.0
105.04539	6.9
105.07036	8.9
107.08606	18.6
109.06541	3.2
109.10157	11.7
111.04437	4.2
111.08105	4.6
117.07034	3.2
119.08578	17.2
121.10139	16.0
123.11687	4.9
129.07034	2.1
131.08603	6.6
133.10139	15.9
135.08098	3.0
135.11702	8.2
137.13286	2.9
143.08598	5.8
143.10681	2.0
145.10126	12.2
147.08078	2.4
147.11726	9.0
149.09641	3.6
149.13280	3.3
154.07530	2.2
157.10147	6.9
159.11673	13.2
161.13196	3.9
163.11179	3.9
167.10713	2.6
171.11720	6.3
173.09679	3.5
173.13316	6.8
175.11143	5.6
175.14816	3.0
179.10670	3.5
185.13252	4.4
187.11279	3.1
187.14832	7.9
189.06732	2.0
199.14917	6.5
201.12744	4.7
201.16440	5.4
203.14149	2.2
213.12823	3.8
215.14374	4.4
219.17491	7.9
227.14342	2.9
231.13754	2.5
231.17519	3.4
233.15436	8.4
245.15395	4.5
249.18521	2.6
306.47879	2.2
311.23785	4.7
327.23389	2.9
341.25119	2.2
353.06650	2.0
399.25354	2.4
415.29910	4.1
433.31024	14.2
451.32062	25.5
452.32083	2.9
469.33084	6.0
474.20193	2.4
486.26846	17.8
487.27884	2.8
504.28030	79.6
504.35733	3.0
505.22040	7.8
505.28815	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.55304	0.6
67.05515	0.8
69.07063	1.2
69.42751	4.2
80.53616	0.7
81.03421	0.8
81.07075	0.7
95.04980	0.8
105.03396	14.5
105.04472	0.9
107.08562	0.7
108.85148	0.6
150.52373	0.7
165.05559	1.4
165.06941	1.0
169.06494	0.9
177.42804	0.6
179.08618	1.1
183.08061	1.6
185.06007	0.8
192.09306	1.0
197.06003	1.7
197.09656	1.5
198.06808	2.5
202.07776	1.1
207.08018	1.7
209.05894	0.9
210.06766	2.6
211.03970	1.1
211.07562	2.9
213.05580	1.2
218.49792	0.7
219.08243	0.7
220.08888	1.8
221.09364	0.7
224.04701	1.0
224.08327	1.0
225.05424	2.0
225.09013	3.2
226.06238	2.1
227.06927	0.9
233.09695	0.9
235.07559	1.1
235.11206	3.3
236.08372	0.7
237.09081	1.3
238.06212	1.6
239.07034	2.7
240.04218	1.8
240.07805	1.5
241.05064	3.7
241.08482	1.4
242.05617	1.4
247.07710	1.2
248.08272	4.1
249.09236	2.2
250.06172	0.8
250.09779	1.0
251.07019	1.5
252.07906	1.2
252.11516	1.0
253.04915	1.6
253.08611	2.9
254.05649	1.5
255.06512	7.1
255.10162	1.3
256.07269	9.2
257.08029	0.7
261.09146	0.7
262.09866	1.1
263.10641	6.5
264.07965	1.1
264.11252	1.0
265.08603	2.8
265.12167	1.1
266.09390	0.9
267.06577	1.3
267.10068	1.0
267.13791	0.7
268.07327	2.0
269.04611	3.6
269.07919	3.3
270.08740	1.0
276.07785	1.2
277.08560	2.3
278.09387	2.2
279.10187	2.0
279.34070	0.8
280.10980	2.2
281.04572	1.3
281.07907	0.9
283.06042	10.4
283.09634	2.9
284.06720	3.3
285.07657	1.6
291.06802	1.5
291.10187	4.8
292.10846	1.0
293.08099	1.9
293.11710	5.2
294.12347	2.2
295.06351	1.5
295.09796	1.6
295.13150	6.6
296.06799	2.5
297.07529	5.5
298.08286	0.8
299.05667	1.2
300.06177	4.4
306.08871	1.9
307.09439	3.7
308.10376	2.0
310.08206	4.0
311.09109	5.6
312.10065	0.9
313.07211	3.7
314.07831	48.1
315.08481	4.3
321.11237	18.7
322.11871	5.0
323.09119	2.9
323.12805	5.7
325.10806	1.1
325.14301	5.8
326.07571	1.1
327.08569	5.5
338.11591	4.6
340.09366	0.8
341.10239	8.0
342.10220	1.0
352.13077	2.0
353.13840	48.4
354.14447	3.6
383.14883	100.0
384.15189	9.5
405.13068	3.9
505.26477	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	1.1
51.02381	2.9
53.03942	8.6
55.01875	1.8
55.05514	7.3
57.07072	16.8
59.21913	0.7
60.14632	0.7
60.51480	0.7
61.63572	0.7
67.05502	15.8
69.07068	5.7
71.04989	0.9
71.08636	10.3
71.30361	0.8
77.03926	2.5
79.05487	7.3
81.03415	29.2
81.07049	15.0
83.04983	2.2
83.08615	10.6
85.10166	5.3
89.03917	0.8
91.05472	11.1
93.07031	5.9
93.19560	0.8
95.04965	19.4
95.08610	12.8
97.06499	1.0
97.10155	4.6
105.03391	100.0
105.04538	4.3
105.07027	10.7
105.07678	1.2
106.03725	2.1
106.07338	0.8
107.04955	1.6
107.08586	3.5
109.06483	0.9
109.10154	8.0
111.04482	0.9
111.08091	3.2
111.11702	1.0
113.74574	0.9
115.05441	0.8
117.07056	1.0
119.08575	7.1
121.06479	1.4
121.10140	3.1
123.11703	2.2
125.09589	0.9
129.07014	3.4
131.08583	3.7
133.06508	1.8
133.10095	4.4
135.08028	0.9
135.11719	1.2
137.05972	2.1
142.07753	1.6
145.02858	1.2
145.10112	2.2
147.08025	0.8
147.11656	4.6
149.09698	1.1
149.13206	0.8
152.06175	1.1
153.06969	1.2
154.07727	1.5
155.08528	1.3
157.06493	1.0
157.10129	4.3
159.11703	1.9
161.13249	1.0
165.06999	4.7
166.07735	1.3
167.07060	0.9
167.08620	1.5
175.11168	3.5
177.05473	2.7
179.08601	2.7
181.06537	1.9
182.07269	13.1
183.08041	0.8
188.08279	0.9
193.12233	11.3
195.08076	3.0
197.09607	8.0
199.03877	1.2
199.07571	2.5
203.10692	2.7
207.08055	2.0
209.05908	1.1
210.06743	18.2
211.07341	2.0
212.08313	2.0
221.05991	0.9
222.06775	2.2
223.07574	3.0
224.08249	1.7
225.05563	1.6
225.09091	39.2
226.06233	2.1
226.09491	2.7
227.06989	2.6
235.07576	3.3
237.05542	2.5
238.06250	13.2
239.06972	2.6
239.23680	3.0
240.07785	7.0
241.08554	2.3
242.05687	1.4
242.09427	2.6
249.14760	1.9
250.09914	1.2
251.06950	4.2
252.07762	5.0
253.04858	2.4
253.08592	36.7
254.05794	1.8
254.09106	3.4
255.06496	2.7
255.10165	4.2
256.07184	0.8
257.04367	0.9
257.11832	1.0
261.08969	1.0
265.04987	1.3
265.08606	0.9
266.05679	4.7
267.06418	2.7
267.10156	2.2
268.07272	7.8
269.07990	1.5
270.08914	4.8
271.06113	0.9
277.08456	0.9
278.09451	1.4
280.07373	3.2
281.08072	65.6
282.08478	5.7
283.06238	1.8
283.09540	8.2
285.04236	1.3
285.07547	1.6
285.11093	4.3
292.10950	1.2
293.08051	1.9
293.11728	2.6
295.09317	1.1
296.06754	4.1
297.07599	4.3
298.08292	4.5
299.08765	1.0
300.06232	1.8
308.10382	1.6
311.09109	58.5
312.09552	6.4
313.07150	2.5
313.10626	18.6
314.10956	1.6
315.08649	3.2
319.09567	1.2
321.11212	1.7
323.12662	3.9
325.14301	1.0
328.09393	4.3
337.10593	1.6
343.11752	95.6
344.12079	6.4
351.12393	5.0
352.12744	2.2
353.13873	3.0
383.14899	10.0
422.09918	0.9
447.14780	1.0
505.27646	19.6
505.38907	23.7
506.27234	2.5
506.39163	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.9
51.02384	1.9
53.03753	0.6
53.03952	7.6
54.04483	0.7
60.67288	0.7
63.89781	0.6
66.34205	0.6
70.57024	1.2
70.86679	0.6
77.03925	2.2
81.03413	1.2
95.04977	8.8
105.03391	100.0
105.04535	4.3
106.03729	1.9
165.06985	1.7
172.28938	0.7
182.07269	3.7
188.08310	1.5
189.96626	0.7
195.08066	1.5
196.08896	0.7
197.09642	2.4
203.10683	2.4
210.06770	6.5
222.06668	1.3
223.07492	1.8
225.05666	1.1
225.09070	13.0
227.06949	2.2
235.07431	1.4
238.06311	4.7
239.07190	0.9
240.07797	2.5
241.05019	0.7
241.08516	1.1
242.09346	1.5
251.07069	1.2
252.07791	2.1
253.04898	0.7
253.05681	0.7
253.08586	14.3
255.06514	1.4
255.10127	0.8
261.77786	0.7
265.12198	0.7
266.05734	2.0
267.06461	0.9
267.10257	1.2
268.07306	2.9
270.08911	1.7
280.07275	1.2
281.08060	25.4
282.08441	2.4
283.09674	2.7
285.03723	0.6
285.11285	2.1
293.11792	0.8
296.06778	1.1
297.07516	2.0
298.08316	1.7
311.09116	23.5
312.09668	2.6
313.07346	1.0
313.10706	7.0
315.08612	1.5
323.12769	1.5
328.09372	1.7
343.11746	40.2
344.12180	2.2
351.12259	1.7
353.13770	1.8
383.14789	4.9
385.16635	0.9
399.17831	0.8
435.14352	1.8
447.14175	0.8
505.22031	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
53.03945	2.6
53.05312	0.3
55.05512	2.0
57.03431	0.3
57.07075	2.7
67.05494	2.0
69.07062	1.9
69.57666	1.7
71.08636	2.5
77.03906	0.4
79.05488	0.9
81.03413	5.6
81.07052	1.8
83.04958	0.3
83.08620	2.6
85.10193	1.0
90.39265	0.4
91.05489	1.6
93.07038	1.3
95.04971	3.6
95.08610	2.6
96.05316	0.5
97.10175	1.0
98.23110	0.7
105.03391	20.2
105.04533	1.3
105.06988	0.7
106.03719	3.2
107.04973	0.5
107.08563	0.4
109.10158	1.2
111.08051	0.5
111.11732	0.4
119.08594	1.0
121.10118	0.7
123.11729	0.5
129.07021	0.5
131.08565	0.5
133.10104	0.5
147.11694	0.6
157.10143	0.7
165.07037	0.6
167.08563	0.5
175.11238	0.6
179.08571	1.3
182.07323	1.3
193.12248	3.1
194.07199	0.4
195.00305	8.9
195.08061	0.8
197.09613	2.3
207.08090	1.4
210.06746	4.9
211.07497	1.0
223.07565	1.2
224.08380	0.6
225.05542	1.0
225.09077	5.5
226.06255	0.6
226.09682	0.5
227.07030	1.0
233.09299	0.3
235.07545	0.4
237.05511	0.5
238.06244	1.1
239.07053	1.1
239.23880	0.4
240.07822	2.4
241.08591	0.7
247.07570	0.3
249.08565	0.4
249.14983	0.4
250.06097	0.4
250.09369	0.7
251.07175	0.8
252.07843	1.2
253.05003	0.7
253.08565	3.3
254.05655	0.5
254.09363	0.6
255.06459	0.8
255.10155	1.0
257.11588	0.4
261.08704	0.5
262.09827	0.4
263.06793	0.4
265.04868	0.5
265.08276	0.7
265.11865	0.5
266.05667	0.4
267.06537	0.7
268.07291	3.0
269.07977	1.5
270.08923	0.9
276.07761	0.6
277.08585	0.8
278.05670	0.4
278.08810	0.8
279.06567	0.3
279.09668	0.6
280.07275	0.4
280.10175	0.4
281.08078	1.6
281.10983	0.5
283.06256	0.6
283.09570	3.7
285.07599	0.7
285.11270	0.7
290.09210	0.4
291.09793	0.6
292.07016	0.6
292.10440	0.8
293.07584	0.6
293.11331	0.7
294.08112	0.5
296.06805	1.2
297.07550	1.3
298.08377	1.2
300.06296	0.3
305.07947	0.6
306.08591	0.8
306.54437	0.4
307.09113	0.5
308.09827	0.6
311.09116	12.0
311.25766	1.5
312.09741	3.3
313.07068	0.7
313.10706	3.1
315.08548	0.6
319.09497	0.8
320.10031	0.7
321.07104	0.6
321.10706	0.6
322.07605	0.5
328.09409	0.8
335.08801	1.5
336.09409	2.9
337.09756	2.6
338.10788	0.4
343.11746	18.7
344.12131	1.1
349.10703	0.5
350.11194	1.6
351.11713	3.6
351.18707	0.4
352.12207	4.0
353.09131	0.5
353.13434	1.0
381.13272	1.1
382.13599	3.7
383.13989	8.8
443.28339	0.9
461.29434	1.2
487.27176	0.6
499.53635	0.3
504.28052	7.0
505.28326	100.0
505.38754	4.2
506.28659	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.3
53.03758	0.7
53.03952	8.8
59.51769	1.0
61.58675	0.8
69.62523	5.1
70.16989	0.8
76.54175	1.1
77.03941	1.9
80.14499	1.0
81.03407	1.0
92.40379	0.9
95.04956	10.9
96.05293	0.9
105.03394	100.0
105.04539	4.3
106.03718	5.8
107.29832	0.9
127.81479	0.9
154.07764	1.3
165.07001	3.2
167.08569	1.6
179.08539	1.0
181.06421	1.2
182.07291	9.2
185.07658	0.9
188.74301	0.9
195.08041	2.2
197.05870	1.0
197.09590	7.2
199.03969	1.0
199.07530	1.4
203.10695	1.8
210.06767	14.8
211.07396	1.6
212.08292	2.1
222.06758	1.9
223.07472	2.2
224.08289	2.2
225.05481	2.5
225.09071	28.1
225.11263	1.7
226.06212	1.8
226.09407	2.3
227.06996	2.7
235.07570	2.5
237.05533	2.3
238.06219	8.5
239.06827	2.5
240.07744	4.7
241.08578	1.4
242.09329	2.5
251.06967	2.2
252.07809	4.3
253.04901	1.6
253.05470	1.5
253.08583	27.8
254.05685	1.4
254.08998	1.5
255.06209	1.8
255.10155	2.4
263.07065	0.9
265.04965	1.4
265.12143	2.1
266.05768	3.3
267.06424	2.1
267.10352	1.3
268.07382	6.0
269.07938	1.5
270.08771	3.4
278.09235	1.2
279.06726	1.8
279.09897	1.4
280.07166	1.5
281.08072	49.8
282.08408	2.8
283.06305	0.8
283.09589	5.2
285.03854	1.2
285.07602	1.0
285.11139	3.6
293.11429	1.6
295.09177	1.1
296.06738	3.7
297.07477	3.1
298.08047	2.4
300.06317	1.4
308.10397	1.3
311.09113	40.0
312.09579	5.8
313.07324	1.7
313.10645	12.6
314.10736	1.4
315.08456	3.1
321.11008	1.3
323.12534	2.0
328.09341	3.6
343.11752	68.6
344.12106	4.8
351.12091	4.1
352.12546	2.7
353.13138	3.2
383.14758	8.3
447.25162	4.6
459.61224	1.1
474.20554	1.1
487.28336	4.5
505.22421	3.3
505.29218	27.6
506.29370	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	1.0
51.02381	1.6
53.03948	7.9
55.01863	0.8
55.05503	5.1
57.03439	1.2
57.07082	1.1
67.05504	18.8
67.05839	1.5
69.07073	1.7
69.10223	8.1
77.03946	1.4
79.05486	5.7
80.91526	0.9
81.03438	1.7
81.07030	6.6
83.04982	6.2
83.08594	1.5
85.06563	0.8
91.05478	7.7
93.07037	8.6
95.04968	7.7
95.08591	5.3
99.08128	1.0
105.03391	70.9
105.04545	4.8
105.07008	7.6
105.75913	1.0
106.03738	1.6
107.08584	4.6
109.10156	14.6
110.10485	1.0
111.08063	1.8
117.07030	2.2
119.08579	7.4
121.10170	2.9
125.09607	1.0
129.06978	1.3
131.08557	3.5
133.10139	5.8
135.11697	1.7
137.09637	1.3
141.07008	1.0
143.08566	2.5
145.10118	2.9
147.11710	5.1
149.13293	1.7
152.06197	1.5
153.07011	1.4
155.08528	2.0
157.10118	1.7
159.11728	3.6
161.13280	3.5
162.13524	1.0
165.06999	1.5
167.08549	4.3
168.05783	1.1
169.10204	2.5
170.62711	0.8
171.11649	1.7
173.11768	4.7
173.13184	1.8
175.14780	2.0
178.07863	1.2
179.08543	7.8
181.06552	2.6
182.07275	9.9
183.08026	2.1
185.13261	1.4
187.14777	1.1
194.07310	0.8
195.08101	5.5
197.05902	1.8
197.09633	14.4
199.07591	2.0
207.08052	8.5
208.08678	0.9
209.06023	1.4
210.06761	29.4
211.07378	5.1
212.08305	3.2
213.09065	0.9
223.07527	6.4
224.08333	5.2
225.05692	5.4
225.09090	32.5
225.11354	1.9
226.06236	2.6
226.09753	1.4
227.06967	4.7
227.10699	1.2
229.14296	7.6
231.21147	1.4
235.07462	1.2
237.05511	1.5
238.06290	3.6
239.06982	5.8
240.07851	13.7
241.08510	3.2
241.19493	4.5
242.09212	1.1
250.06410	1.7
251.06937	5.7
252.07848	7.8
253.04970	4.8
253.08592	15.9
254.05716	3.1
254.09309	4.3
255.06561	5.5
255.10139	7.2
259.20590	8.9
263.06989	1.2
265.04895	1.1
265.08682	1.8
266.05795	1.6
267.06531	4.5
268.07318	16.2
269.08017	9.8
270.05786	1.3
270.08859	5.8
279.06467	1.0
280.07294	1.5
281.05103	1.4
281.08148	4.4
282.08820	2.4
283.06354	2.1
283.09616	23.8
284.10199	1.8
285.07587	4.5
285.11261	5.5
287.14590	1.0
293.11603	1.6
295.05942	1.4
296.06744	8.2
297.07538	9.0
298.08231	6.8
300.06250	1.7
311.09106	73.6
312.09827	21.5
313.07071	4.8
313.10706	21.8
314.10901	1.7
315.08636	3.2
328.09393	3.7
333.24084	4.8
343.11752	100.0
344.12186	8.6
351.12143	4.4
353.13861	2.0
356.15820	1.4
383.14896	4.7
436.52753	0.9
487.27740	1.8
505.29364	22.6
505.36374	1.1
506.29846	1.3
528.57849	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.2
53.03947	4.1
55.01904	0.5
55.05508	1.5
64.59071	0.4
67.05509	6.8
69.07079	0.6
69.24336	1.3
69.24739	2.8
77.03916	0.7
79.05504	1.8
81.03413	0.7
81.07056	2.4
83.08644	1.1
88.07602	0.5
91.05511	2.5
93.07052	2.7
95.04979	3.7
95.08624	1.7
105.03394	39.3
105.04542	2.1
105.07051	2.3
106.03751	1.0
107.08611	2.2
109.10163	4.1
109.85561	0.5
119.08591	2.1
129.07018	0.6
131.08565	0.7
133.10133	1.1
135.11678	0.8
145.10127	1.3
147.11714	1.9
153.07027	0.6
157.10129	0.8
159.11732	0.9
161.13272	1.1
165.07033	1.8
165.74974	0.5
166.07835	0.7
171.11708	0.6
173.11777	1.3
173.13249	0.9
179.08612	0.8
179.14278	1.0
181.06523	1.0
182.07259	4.7
195.08025	1.3
197.06168	0.7
197.09634	4.4
199.07564	1.4
203.10783	1.3
204.36186	0.7
207.08159	0.6
210.06743	7.3
211.07448	1.3
212.08379	1.0
222.06807	1.1
223.03946	0.7
223.07596	2.5
224.08284	0.6
225.05656	1.4
225.09084	17.6
226.06310	0.7
226.09531	1.0
227.07030	1.4
229.14397	1.8
235.07555	1.6
237.05368	0.7
237.09038	0.6
238.06255	6.0
239.07002	1.5
240.07863	2.2
241.19482	1.3
242.09421	1.8
251.07062	1.5
252.07898	1.7
253.04868	1.0
253.08582	16.8
254.09174	0.8
255.06413	1.1
255.10204	1.3
257.04437	0.7
259.05908	0.5
259.20636	2.1
266.05859	2.0
267.06561	1.1
267.10135	0.9
268.07349	2.5
269.08170	0.9
270.08917	2.2
277.08459	0.6
277.21497	0.7
278.09390	0.9
280.07425	0.8
281.08084	29.5
282.05655	0.7
282.08566	1.9
283.06180	0.9
283.09711	2.4
285.03876	0.7
285.07422	0.6
285.11139	1.2
293.08173	0.7
293.11639	1.1
296.06921	1.3
297.07635	1.6
298.08371	2.3
311.09125	24.2
312.09601	2.9
313.07098	1.6
313.10623	8.3
315.08646	1.9
321.07831	0.7
322.08386	0.6
323.12894	1.4
328.09790	1.0
333.24188	0.7
337.10486	0.8
343.11758	44.7
344.12082	2.8
351.12247	2.7
352.13290	0.6
353.13879	1.0
383.14771	5.2
422.10535	0.7
443.29364	2.7
447.24838	1.0
461.30338	1.9
487.28250	6.0
505.29254	100.0
506.29651	6.4
508.37689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2045
Annotation	Aglacin I
Peak:m/z	Relative Intensity
52.69111	0.4
55.01860	0.5
57.03428	0.8
69.03423	1.6
69.07072	0.8
69.27882	2.2
71.04999	0.4
73.02908	1.2
73.17423	0.3
79.05518	0.5
81.07044	2.1
85.02922	1.8
91.05495	1.4
93.07033	1.6
94.69367	0.4
95.08602	2.4
97.02895	1.2
99.08072	0.7
103.33089	0.3
105.07030	2.0
107.08588	1.1
109.10120	0.4
115.03941	1.0
117.07019	0.5
117.16749	0.3
119.08585	8.0
119.09439	0.6
121.10146	0.5
127.03911	0.6
131.08531	0.4
133.04948	0.5
133.06458	0.4
133.10126	9.9
135.11722	2.1
137.05998	1.5
142.41739	0.4
145.04955	0.8
147.11690	0.6
151.07487	0.5
153.05493	0.4
161.06041	0.5
163.07478	0.5
165.19778	0.4
175.14815	17.8
176.15198	0.8
177.05482	0.5
191.03387	0.7
193.15907	2.5
203.03391	0.4
203.06873	0.8
204.07600	0.9
205.04718	35.7
206.05121	1.1
211.16972	1.9
217.08414	1.4
218.05495	1.4
232.07103	0.8
249.07359	0.9
293.09927	4.9
307.11493	4.8
316.94580	0.4
430.15927	1.8
457.60379	0.4
475.19601	0.7
505.20444	100.0
506.20697	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
53.81352	0.4
55.01865	0.8
55.71710	0.4
57.03424	0.9
60.37870	0.4
65.03934	0.5
69.03433	4.4
70.60786	1.0
71.04981	0.7
75.76866	0.4
79.05483	2.1
81.03423	6.3
81.07073	0.4
85.02904	4.2
91.05480	7.2
91.39999	0.4
93.07038	0.7
94.04171	2.3
95.04957	1.4
97.02894	1.6
97.68852	0.5
99.04449	1.7
103.03942	0.4
103.05441	2.4
105.03356	0.9
105.07037	7.2
107.04932	1.6
107.08553	0.6
109.02872	3.1
109.06509	0.6
111.04452	0.8
115.05444	0.7
117.07009	0.9
119.04928	5.8
119.08618	0.4
119.09579	0.4
121.06527	0.6
122.03658	4.5
127.03903	3.5
129.07027	0.5
130.04958	0.5
131.03392	1.6
131.04926	4.0
133.06494	8.9
135.04385	0.4
136.05200	1.2
137.05977	100.0
138.06313	3.0
141.07019	0.7
142.07639	0.4
143.04977	0.7
145.06529	1.2
147.04401	3.2
147.07840	0.4
149.06013	1.3
151.03958	0.9
151.07544	32.1
152.07854	1.1
157.06520	1.0
159.08075	0.7
160.05107	0.5
161.06041	2.8
162.06689	0.9
163.07570	3.8
164.04706	1.2
165.05534	0.5
165.09151	4.1
169.06523	0.6
171.04494	0.5
174.06815	0.5
175.07541	3.5
176.08009	0.4
177.05453	1.4
177.09068	2.3
179.07030	34.7
180.07422	0.9
181.08685	0.7
187.07565	1.8
189.09126	2.4
191.07037	2.7
191.08514	0.5
193.08614	2.4
195.10098	0.6
199.07539	0.6
201.09106	1.4
203.06996	1.0
203.10663	0.9
207.10121	1.2
209.07971	0.7
213.09113	0.8
215.06940	0.7
217.08640	0.8
219.08188	0.7
219.10167	1.1
221.05968	0.4
221.07974	0.6
223.15764	0.5
225.09052	0.6
227.10719	0.6
229.08693	1.3
231.10243	0.7
241.08517	0.5
247.09860	0.5
249.11377	0.6
265.08578	1.0
271.58258	0.4
273.11313	1.7
279.10156	0.5
291.12390	0.9
297.11179	1.2
299.12604	1.0
309.11243	1.0
311.12518	1.1
341.13763	1.3
343.15335	1.6
505.21283	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.6
51.02380	2.0
53.03948	6.9
55.01864	0.3
69.07877	1.6
77.03920	1.8
79.68291	0.2
81.03414	0.9
95.04353	0.4
95.04968	7.7
96.05328	0.5
105.03394	100.0
105.04535	3.8
105.42295	0.2
105.46732	0.2
106.03725	5.0
107.04025	0.3
140.68398	0.2
165.07066	0.4
182.07246	0.6
195.08112	0.3
197.06256	0.2
197.09653	0.6
210.06821	1.1
213.08846	0.2
221.15366	0.2
223.07498	0.3
225.09094	2.2
228.07440	0.3
238.06219	0.8
239.06999	0.2
240.08022	0.3
242.09395	0.3
251.07013	0.3
252.07957	0.3
253.08630	2.5
254.09100	0.2
263.10614	0.3
265.08350	0.3
267.06424	0.2
268.07224	0.4
270.08975	0.3
279.09973	0.3
280.07187	0.3
281.08093	3.9
281.11111	0.4
282.08582	0.6
283.09634	0.4
285.11038	0.2
293.08017	0.4
295.13043	0.2
296.06729	0.3
297.07587	0.5
298.08206	0.3
307.09119	0.3
308.09955	0.3
311.09103	4.3
312.09598	0.5
313.06146	0.4
313.10703	1.3
321.11136	0.5
322.11926	0.4
323.12604	0.4
328.09305	0.4
334.47818	0.2
337.14297	0.3
339.12085	0.3
343.11768	6.4
344.12128	0.3
351.12073	0.6
353.13818	0.9
354.14304	0.6
355.14362	1.2
369.17004	0.8
371.15079	0.3
382.13715	0.5
383.14417	1.8
385.16330	0.3
474.20108	0.4
505.22070	1.8
505.29544	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.8
51.02380	1.3
51.75675	0.1
53.00290	0.1
53.03947	5.4
54.04277	0.1
55.01872	0.5
67.05491	0.1
68.31459	0.1
69.17232	0.2
69.17632	0.3
77.03919	1.8
81.03415	0.8
81.07062	0.1
85.10138	0.1
91.05447	0.1
93.07063	0.1
95.04966	9.0
95.08593	0.1
96.05312	0.1
97.10153	0.1
98.23359	0.1
100.79681	0.1
102.59019	0.1
102.80817	0.1
105.03389	100.0
105.04520	4.2
105.18797	0.1
106.03715	2.2
106.04828	0.1
118.06488	0.2
158.45302	0.1
210.06779	0.1
225.09026	0.2
251.06732	0.1
253.08586	0.2
264.11478	0.1
269.07898	0.1
279.10190	0.2
281.08069	0.3
291.10062	0.1
293.11578	0.1
295.13223	0.3
297.07516	0.1
307.09518	0.1
309.10959	0.1
310.15485	0.1
311.09116	0.1
321.11166	0.1
322.11771	0.1
323.12704	0.1
326.14771	0.1
327.12103	0.1
331.11694	0.1
337.10696	0.1
337.14276	0.3
338.14941	0.1
339.12250	0.1
343.11722	0.4
351.12500	0.1
353.13736	0.3
353.17615	0.1
354.14297	0.1
367.15143	0.2
368.16025	0.2
369.16928	1.1
370.17175	0.1
371.14682	0.2
372.15179	0.1
385.16379	0.3
399.17957	0.4
400.18616	0.2
435.14316	0.1
436.15042	0.1
474.19977	0.3
490.19644	0.3
505.22021	1.5
506.22318	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.7
50.01812	0.1
51.02376	1.6
52.12709	0.1
53.03947	5.9
55.01876	0.4
59.86575	0.1
63.17796	0.1
69.67478	0.2
69.67870	0.1
73.49684	0.1
77.03921	2.0
77.04337	0.2
81.03419	0.8
89.79612	0.1
95.04967	8.6
96.05328	0.1
105.03389	100.0
105.04529	3.9
106.03720	2.1
118.06567	0.2
127.08770	0.1
175.83878	0.1
225.09143	0.1
251.10721	0.1
253.08659	0.1
264.11328	0.1
279.10138	0.2
280.10767	0.1
281.08063	0.2
293.11633	0.2
295.13272	0.2
307.13165	0.1
309.11188	0.1
310.15628	0.2
311.09293	0.1
321.11179	0.1
322.11932	0.1
327.12207	0.1
337.14355	0.4
338.15002	0.2
339.12195	0.2
343.11731	0.3
353.13855	0.3
354.14902	0.2
367.15314	0.2
368.16217	0.2
369.16962	1.2
383.14252	0.2
385.16409	0.2
399.18085	0.5
400.18906	0.1
474.20081	0.2
490.19446	0.3
505.22046	1.0
505.29166	1.8
506.29712	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97558	2.4
53.03942	9.7
55.01868	6.5
55.05501	15.0
57.03415	3.6
65.03938	3.4
67.05505	32.5
69.03460	27.5
69.03880	6.1
69.07072	5.6
79.05479	16.6
80.10194	2.1
81.03429	11.3
81.07060	19.1
83.04986	22.1
83.08621	7.0
85.02883	3.4
91.05487	30.1
93.07043	32.2
95.04981	17.9
95.08609	23.5
97.02905	7.6
97.10188	5.0
98.23447	4.3
103.05484	4.3
105.03385	27.9
105.07031	24.7
107.04952	9.5
107.08582	12.8
109.02888	3.8
109.06535	10.2
109.10160	10.4
111.04438	25.7
111.08093	10.8
115.05460	5.9
116.06216	3.9
117.07024	10.6
119.04975	3.5
119.08600	24.3
121.06514	18.3
121.10175	4.9
123.04466	3.3
123.08080	15.7
123.11688	4.3
125.09617	4.0
128.06241	15.4
129.06993	17.6
130.07780	5.1
131.04971	3.8
131.08577	19.1
133.06496	8.2
133.10133	11.1
135.04266	2.3
135.08067	11.9
137.05995	6.7
137.09630	17.1
139.07584	5.0
141.06982	14.0
142.07796	13.7
143.08580	23.1
144.05684	3.6
145.06476	10.0
145.10124	12.5
147.08064	26.9
147.11702	3.0
149.09639	10.2
152.06180	4.9
153.06972	6.1
154.07726	3.8
155.08559	16.3
156.09204	3.0
157.06502	6.9
157.10114	14.8
158.07286	7.7
159.08052	26.6
159.11732	2.9
161.05983	4.2
161.09618	15.5
165.06953	10.7
165.09119	100.0
166.07803	4.1
166.09254	3.1
167.08559	9.7
169.06497	9.2
169.10101	8.5
171.08011	18.7
171.11650	5.8
172.08795	3.5
173.05942	3.8
173.09613	18.3
175.07559	21.9
175.11212	4.5
175.14818	4.8
177.09113	7.5
178.07759	3.6
179.08580	10.4
180.09346	8.2
181.06459	2.7
181.10120	5.8
182.07277	5.9
183.08078	12.1
183.11682	4.8
184.08888	2.9
185.06029	5.6
185.09636	20.8
185.13127	2.5
187.07555	11.9
187.11206	4.8
189.09102	28.3
191.08513	5.1
191.10831	3.3
192.09320	9.3
193.10121	9.2
194.10922	3.8
195.08080	11.3
195.11694	9.8
196.08835	6.2
197.05913	3.4
197.09628	8.7
199.07523	20.5
199.11125	4.3
201.05296	2.5
201.09091	13.8
202.07695	4.3
203.06987	3.3
203.08708	2.5
203.10550	2.8
204.09361	2.9
205.10164	6.7
206.10748	3.2
207.08171	3.5
207.11717	8.3
208.08783	12.4
209.09657	16.3
209.13280	5.4
210.10248	4.9
211.07576	7.6
211.11177	15.5
212.08263	2.7
213.09167	16.3
215.10513	3.0
217.08607	11.1
219.08189	5.2
219.10040	5.8
219.11902	4.7
220.08780	5.2
221.09610	8.8
221.13269	5.5
222.10455	14.6
223.11168	43.1
224.11945	12.8
225.09201	3.0
225.12717	10.2
227.10681	6.4
229.10184	5.4
231.11858	3.9
232.08832	5.1
233.09648	5.8
233.13451	3.2
234.10403	4.6
235.11226	24.9
235.14767	2.9
236.11731	3.8
237.09071	5.1
237.12807	15.2
238.09854	4.6
239.10696	10.9
241.12296	5.9
245.09549	3.6
245.13266	4.6
246.10451	4.1
247.11192	9.1
249.09094	4.7
249.12697	4.8
251.10698	9.8
252.11380	3.6
253.12251	8.9
255.12096	3.1
257.04379	3.0
257.11725	2.8
258.10117	3.4
258.14026	2.9
259.11124	9.8
260.11938	4.9
261.09253	4.4
261.12714	10.2
263.10730	5.0
265.12256	7.2
267.10101	3.9
267.13742	3.3
269.11853	8.3
271.11075	4.7
272.11972	4.8
273.12744	5.3
275.10724	7.4
275.14343	8.0
276.11224	2.7
279.13696	2.8
281.11646	24.2
283.10727	3.0
283.13419	5.4
284.11951	3.6
285.12796	6.0
287.10916	3.3
287.14163	5.3
288.11441	3.5
289.12216	4.3
289.15753	3.5
291.13953	6.0
296.11841	3.8
299.10834	2.6
299.14194	6.1
301.12292	4.1
301.15768	7.7
303.13705	6.0
303.17038	3.2
309.12595	3.7
310.13367	3.2
312.15326	2.6
313.12250	2.8
314.16370	3.4
315.13776	3.4
315.17142	3.2
317.15366	3.3
319.13547	4.3
321.14859	3.8
323.14206	6.4
324.15027	4.1
325.15723	4.1
327.13858	3.9
329.15317	5.9
331.16907	5.9
337.15421	5.2
345.14951	5.4
353.18982	4.8
354.16290	2.9
359.16260	9.1
362.16718	3.9
364.16782	3.8
365.15063	2.8
370.15744	4.0
372.17041	4.3
373.14398	3.6
377.17609	25.6
381.18478	7.7
391.15469	3.2
395.19907	11.6
399.19577	8.4
405.18417	5.6
408.17157	3.5
409.17874	5.2
413.21246	20.5
417.20468	3.8
423.19553	23.1
427.19171	5.5
431.22205	6.1
433.17682	4.2
441.20694	52.8
442.21170	4.9
445.19620	4.3
451.18942	13.0
459.21585	46.3
460.22006	3.7
469.20087	46.3
470.20096	4.1
476.22006	14.3
477.22574	7.8
487.21082	64.2
488.21396	7.4
505.21811	61.8
506.22479	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2256
Annotation	Lys Glu Asn Asp
Peak:m/z	Relative Intensity
50.50296	0.3
53.03938	0.4
55.01855	0.4
57.03423	0.4
61.02925	0.4
67.05499	0.3
69.03427	1.2
69.78937	1.3
70.06570	0.6
73.02919	1.1
76.31686	0.3
76.39497	0.3
79.05482	0.5
81.07048	0.3
85.02903	1.3
91.05489	0.5
93.07037	0.5
95.04967	0.7
97.02915	1.0
99.08101	1.7
105.03385	2.1
105.07040	0.8
107.04969	0.4
107.08631	1.0
109.10142	0.6
115.03893	0.6
119.08557	0.4
122.00098	0.3
123.04424	0.3
127.03946	0.6
133.05025	0.5
133.10181	0.5
135.08060	3.1
137.05997	0.7
137.09677	0.8
144.06578	0.5
144.08087	0.8
155.10721	0.5
163.07527	1.9
177.05505	0.8
181.08603	0.8
193.15883	0.7
211.13081	0.5
211.16988	2.0
283.10672	0.4
335.09506	2.8
343.13397	0.4
355.12650	0.4
373.18311	7.9
374.18372	0.5
489.08273	0.5
505.22568	100.0
506.22879	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2257
Annotation	Lys Glu Asn Asp
Peak:m/z	Relative Intensity
59.96245	0.3
66.14665	0.3
69.01072	1.6
69.01502	1.4
71.86429	0.4
85.02914	0.5
95.04987	0.5
98.97615	0.5
99.75990	0.3
105.03392	4.4
105.07030	4.6
106.07399	0.8
119.04967	0.4
122.09681	1.6
141.03815	0.3
147.04460	1.4
157.80794	0.4
165.05557	0.4
177.00955	0.4
181.04785	0.5
187.90488	0.3
209.85861	0.4
275.07410	0.4
307.11630	0.3
325.13242	0.4
335.09576	0.9
343.10052	0.9
343.14148	0.5
343.88239	0.4
356.81421	0.4
373.18341	3.3
433.17923	0.4
487.21439	0.7
498.26028	0.4
505.22580	100.0
506.23019	7.5
520.31012	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.5
55.05503	2.4
55.16613	1.6
57.03426	3.3
67.05513	1.6
69.03426	4.3
69.07066	3.6
70.58700	3.5
71.18242	1.4
73.02913	5.4
79.05494	3.8
81.07059	11.7
85.02916	12.7
91.05492	5.2
93.07056	5.4
95.08601	13.4
97.02872	7.2
99.08109	2.5
103.05454	1.7
105.07034	13.7
105.72041	1.4
107.08612	6.5
115.03920	2.7
119.08583	41.5
119.09448	2.2
123.11745	2.0
133.04941	4.5
133.10123	49.7
135.11711	10.4
137.05988	3.8
147.11705	1.7
163.07437	2.4
175.03680	2.6
175.14822	100.0
176.15140	4.4
193.15895	11.1
203.03468	1.4
205.04704	17.7
211.16940	12.7
220.73920	1.5
232.02753	1.6
243.62445	1.7
271.03998	1.5
293.09787	1.6
342.10739	1.8
480.60229	1.6
505.20779	47.8
506.20389	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
55.01868	1.9
55.05517	3.4
55.92754	1.6
57.03439	3.9
60.26596	1.7
61.02934	2.5
66.45647	1.7
67.05492	1.7
67.93984	1.5
69.03429	7.3
69.07070	3.2
69.17972	6.7
69.18395	6.3
73.02919	11.9
79.05476	4.2
81.03375	2.3
81.07052	9.7
83.08608	1.8
85.02899	16.0
91.05476	5.0
93.07043	6.7
95.04967	2.2
95.08609	13.4
97.02882	10.6
99.08077	2.3
105.03428	3.6
105.07034	14.8
107.08601	9.7
109.10134	3.0
115.03936	5.8
119.08584	47.3
123.11676	2.9
127.03931	3.9
133.04962	3.6
133.10132	56.8
135.11670	11.8
137.05980	2.0
145.04947	4.2
147.11699	4.3
173.13315	2.6
175.14819	100.0
176.15147	4.5
188.51701	1.8
193.04956	1.7
193.15874	11.7
211.16937	7.6
296.35245	1.7
400.40903	1.8
488.70554	1.8
495.67856	1.9
505.22641	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01877	1.0
55.05518	1.9
65.03944	1.3
67.05505	5.8
68.29533	0.8
69.03423	2.8
69.07067	2.3
71.04994	2.3
71.30398	1.0
73.02868	0.8
77.63686	0.7
79.05490	7.9
80.47433	0.7
81.03411	0.9
81.07061	15.4
83.04992	1.9
83.08623	1.1
85.02908	1.0
85.06517	1.0
91.05484	10.8
93.07046	12.3
95.04976	6.0
95.08607	5.9
97.02905	3.2
97.06528	5.3
99.04459	2.8
103.05484	1.1
105.03384	3.6
105.04546	0.8
105.07033	10.3
107.04956	3.1
107.08600	7.9
109.06534	6.9
109.10158	2.3
109.53787	0.8
111.04461	2.2
111.08075	7.8
113.06007	1.0
116.06149	1.0
117.07030	5.2
119.08586	7.6
121.06506	8.0
121.10167	3.9
123.04446	3.9
123.08076	5.4
123.11646	0.9
125.05986	3.9
128.06155	1.1
129.07016	4.3
131.08582	10.5
133.06471	2.7
133.10170	6.5
135.08087	3.2
135.11678	1.8
137.02417	1.4
137.05980	17.7
137.09576	1.9
138.06311	0.9
139.07573	6.6
139.11153	0.9
140.68591	0.8
141.07004	1.5
142.07777	1.9
143.08577	8.3
145.06499	2.5
145.10130	6.4
147.08066	5.3
147.11693	5.4
149.05974	5.1
149.09633	2.5
151.03842	1.1
151.07605	2.2
154.07788	1.0
155.07338	1.0
155.08521	4.1
156.09351	3.8
157.08978	1.2
157.10104	6.6
159.08070	4.3
159.11702	6.4
161.09642	3.2
161.13278	3.1
163.07590	4.2
163.11188	1.3
165.09105	4.2
167.07043	26.9
169.08713	1.7
169.10146	4.1
171.11697	10.3
173.09633	2.7
173.13261	2.8
175.07521	1.5
175.11179	2.0
177.09081	2.0
177.12766	2.4
179.08562	1.2
181.10175	2.6
183.11681	1.5
185.13260	4.3
187.11194	2.1
187.14841	1.9
189.09148	1.5
189.12759	9.8
191.06960	1.1
191.10683	1.0
193.10165	1.6
195.11716	2.1
196.12384	1.0
197.09702	1.0
197.13248	3.0
199.11234	1.7
199.14629	1.2
200.15614	1.7
201.09094	1.1
201.16229	0.9
203.14420	1.5
207.11916	1.1
209.13228	1.7
211.14856	1.0
212.15604	1.4
213.12680	0.8
215.14136	1.6
219.11754	1.1
221.13362	1.2
223.14769	0.9
225.16464	1.2
229.15891	1.2
230.16652	1.2
231.17427	1.4
235.11301	1.0
265.10715	40.8
266.10999	1.7
277.16296	0.9
307.20581	1.5
353.10553	0.9
353.21115	1.0
371.22324	1.5
393.24307	0.9
421.23557	0.9
422.15625	0.9
433.23740	1.3
439.24899	4.1
451.24759	8.0
466.06677	1.0
469.25876	100.0
470.26166	10.8
487.27042	2.4
500.50131	1.0
505.14767	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.6
51.02380	1.3
53.03948	5.8
58.93476	0.4
69.30638	1.0
69.31061	1.5
77.03932	0.8
81.03418	1.1
93.07037	0.5
95.04979	5.9
95.08588	0.4
95.83118	0.4
98.02751	0.4
105.03393	73.3
105.04538	2.8
106.03748	1.5
225.09131	0.5
335.09427	0.4
338.15146	0.4
354.82492	0.7
365.20926	0.7
417.13235	0.6
435.14783	0.8
449.15762	0.8
461.30212	0.5
473.19641	1.1
474.20428	1.3
487.27966	4.6
488.28397	0.5
505.22495	6.8
505.29160	100.0
506.22488	0.9
506.29477	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60321	0.4
51.02361	0.5
53.03938	2.5
65.02636	0.5
67.11684	0.5
68.29978	0.5
69.01531	0.4
69.44379	2.8
72.27586	0.5
75.77574	0.5
77.03931	0.7
79.97337	0.4
95.04987	2.2
97.31686	0.4
98.22598	0.9
105.03394	27.4
105.04507	1.1
106.03706	0.9
129.07056	0.5
143.07558	0.5
161.19783	0.5
182.07309	1.1
199.07500	0.5
210.06828	1.1
225.09166	3.0
238.06279	1.2
240.07814	0.8
253.08662	2.7
260.01910	0.5
281.08133	5.1
283.09494	0.8
301.47672	0.5
311.09161	4.0
313.10599	1.1
343.11798	7.5
344.12109	0.9
363.23584	0.5
371.09387	0.6
383.15036	0.9
443.29178	1.9
446.88513	0.5
447.25125	13.7
448.25507	0.8
457.70599	0.5
461.30258	0.8
474.20441	1.0
487.28192	13.0
488.28622	1.0
505.29214	100.0
506.29602	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.0
53.03948	2.6
55.05518	1.9
55.16399	0.2
57.03463	0.5
57.07078	0.7
61.51151	0.2
64.90094	0.2
67.05518	1.2
69.07065	2.2
71.08633	0.6
71.31860	0.3
77.03938	0.4
79.05502	0.6
81.07059	1.0
83.04979	0.3
83.08615	1.6
90.49162	0.3
91.05504	0.7
93.07054	1.0
95.04975	3.0
95.08624	1.0
97.10187	0.7
105.03395	31.0
105.04551	0.8
105.07070	0.7
106.03735	0.6
107.08622	0.5
109.10177	0.7
110.94804	0.2
111.08027	0.3
115.03671	0.3
119.08587	0.6
121.10184	0.6
133.02698	0.3
133.10144	0.4
137.06003	0.3
141.16896	0.2
161.13304	0.3
173.11780	0.3
176.99193	0.6
195.00305	12.0
212.99973	0.3
241.19757	0.3
259.20737	0.3
311.25790	2.3
353.13812	0.4
365.20956	1.0
409.23074	0.4
449.16144	0.5
451.02048	0.3
461.30386	0.7
473.19604	0.3
474.20313	0.6
487.28339	3.8
488.28183	0.5
505.29248	100.0
506.29572	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35667	0.3
51.02376	0.4
53.03950	2.0
53.78852	0.3
55.01876	0.6
55.05517	1.4
67.05505	3.1
69.07063	0.7
69.14909	3.2
79.05498	4.3
81.03429	0.9
81.07053	1.6
83.04985	5.5
83.08624	0.4
84.05321	1.0
86.09700	0.5
91.05476	3.0
93.07050	3.2
95.04996	2.4
95.08601	1.3
98.22583	0.7
105.03397	17.6
105.04527	0.9
105.07033	2.1
107.08634	0.9
109.10178	0.7
119.08609	1.5
123.08031	0.4
129.07011	0.9
133.02658	0.4
133.10207	0.5
143.08636	0.5
145.10175	0.9
147.11662	1.9
157.10161	0.4
161.13219	0.9
171.11765	1.7
183.11676	0.5
184.07408	1.1
189.12785	0.9
207.13786	2.2
210.06781	0.7
225.09206	0.9
253.08629	0.8
277.21680	0.4
281.08173	1.2
281.17493	2.9
293.08112	0.6
311.09317	1.4
313.10672	0.4
321.07706	0.6
327.08807	0.6
343.11823	2.4
349.10818	1.6
353.10254	0.5
383.10950	0.6
408.26233	0.7
443.29333	1.5
487.28174	22.6
488.28659	2.0
505.29340	100.0
506.29721	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.5
51.02377	1.9
53.03946	7.3
54.42361	0.2
55.01877	0.5
55.05508	0.6
64.14947	0.2
67.05501	2.0
69.07065	0.4
77.03915	1.7
79.05492	0.7
81.03407	0.8
81.07056	0.8
83.04991	0.2
83.08616	0.2
84.81367	0.2
91.05470	1.6
93.07038	0.7
95.04967	8.4
95.08591	0.5
105.03391	100.0
105.04531	4.8
105.07018	0.8
106.03709	2.1
106.04209	0.2
107.08572	0.5
109.10159	1.7
117.06989	0.3
119.08566	0.8
121.10158	0.5
131.08641	0.2
133.10138	0.4
133.69398	0.2
147.11694	0.5
159.11711	0.3
161.13223	0.4
171.11673	0.3
173.11717	0.3
173.13280	0.2
175.14670	0.2
229.14369	0.8
229.32063	0.3
241.04951	0.2
241.19655	0.3
259.20697	0.4
263.10788	0.2
265.12274	0.3
279.09937	0.2
307.09775	0.3
321.11267	0.3
333.24149	0.4
337.14404	0.5
339.12430	0.2
345.07693	0.3
354.14655	0.3
359.09045	0.2
368.16022	0.4
369.17035	0.7
371.09122	0.3
373.06958	0.3
375.08301	0.3
382.14133	0.3
389.10248	0.5
399.17505	0.3
403.11676	0.7
417.13147	0.6
421.12631	0.3
435.14249	0.9
436.15237	0.4
441.16867	0.7
443.14633	0.3
443.29294	2.0
444.30142	0.2
449.15848	0.6
450.16574	0.2
458.17130	0.5
459.17856	0.3
461.30246	0.5
463.17307	0.4
473.19730	1.7
474.20465	2.7
475.20493	0.5
487.28171	8.0
488.28439	0.7
505.22177	8.0
505.29120	30.5
506.22461	0.7
506.29465	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.7
53.03947	8.3
55.01871	2.6
55.05509	15.3
57.03432	2.1
57.07075	42.2
58.07395	0.8
65.03928	1.8
67.05505	29.9
69.03424	2.0
69.07067	13.4
71.05004	1.3
71.08631	32.1
77.03920	1.1
79.05057	1.2
79.05497	15.7
81.03416	100.0
81.07057	32.4
82.03753	1.6
83.04974	4.2
83.08617	33.3
84.08957	0.9
85.06525	1.4
85.10178	15.8
91.05483	23.4
93.07054	10.0
95.04970	27.1
95.08602	31.4
96.08938	0.9
97.02872	2.3
97.06538	1.5
97.10162	8.4
98.22639	1.6
98.23329	2.4
99.08116	0.7
99.11723	1.4
103.05503	1.1
105.03397	13.7
105.04501	1.3
105.07028	15.3
107.04948	5.4
107.08569	4.2
109.06530	2.1
109.10159	14.4
111.04478	1.1
111.08070	8.1
111.11731	1.7
115.05451	2.5
116.06264	0.7
117.07004	1.0
119.04950	0.8
119.08578	12.7
120.08889	1.0
121.06493	2.5
121.10127	4.6
123.04439	1.3
123.08100	1.5
123.11703	6.4
125.09621	0.6
125.13240	1.1
128.06209	1.1
129.07002	9.2
131.08560	9.6
133.06502	2.9
133.10152	3.9
137.05826	0.7
137.09622	1.3
137.13272	2.4
142.07767	3.2
143.08527	0.7
145.10136	1.8
147.08081	2.6
147.11671	6.7
149.09596	4.5
151.14796	0.9
157.10112	8.4
165.12762	1.6
175.11205	9.7
193.12244	39.3
194.12614	1.7
205.12189	0.9
213.12689	0.7
231.13785	1.4
239.23698	7.8
249.14873	7.5
261.84842	0.7
454.45425	0.6
500.42526	0.7
505.38870	71.0
506.39236	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	17.9
55.01870	6.7
55.05508	46.0
57.03437	9.0
57.07073	39.3
66.17630	5.5
67.05502	68.7
69.07071	43.8
71.04990	16.3
71.08628	25.9
76.65482	5.9
79.05481	45.6
81.03430	62.9
81.07053	100.0
83.04995	10.6
83.08625	54.5
85.06538	7.2
85.10209	14.0
91.05489	36.5
93.07047	50.8
95.04967	19.8
95.08604	82.0
97.06543	12.6
97.10155	25.7
97.26502	5.7
98.22631	15.4
105.03393	36.8
105.07027	36.7
107.08605	47.0
109.10151	31.3
111.08077	12.7
111.11732	10.2
117.07014	10.4
119.08569	35.8
121.10146	29.3
123.08054	5.9
123.11711	16.1
125.09636	12.3
127.07561	17.9
129.06996	12.5
129.09059	6.6
131.08580	17.0
133.10126	22.2
135.11691	23.4
137.13271	7.3
145.10139	7.3
147.11694	25.2
149.09576	8.5
149.13229	20.1
157.10156	14.9
159.11703	24.2
161.13307	13.9
165.12788	8.7
171.11716	6.3
175.11232	7.7
175.14983	6.8
181.12248	6.5
193.12241	33.2
195.13852	9.7
205.16005	7.7
239.23726	10.2
278.48151	6.6
411.32748	7.8
505.22684	10.5
505.38992	92.0
506.39169	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.6
51.02367	0.5
53.03943	6.3
53.48115	0.4
55.01870	1.6
55.05513	14.9
55.31395	0.5
57.03432	1.3
57.07078	45.3
58.79965	0.5
65.03944	1.9
67.05507	34.9
69.03431	2.4
69.07067	12.2
69.08086	1.3
69.08484	4.9
71.04990	2.2
71.08635	31.0
79.05150	0.4
79.05496	17.9
81.03421	100.0
81.07059	34.4
82.03721	1.1
82.07399	0.8
83.04996	3.8
83.08624	32.0
85.02905	0.8
85.06551	1.5
85.10190	18.1
85.79039	0.6
91.05485	21.0
92.05849	0.6
93.07048	12.1
95.04972	29.7
95.08610	31.5
96.05308	0.6
96.08949	0.6
97.02899	2.8
97.06549	0.9
97.10170	8.9
98.23248	1.6
99.08099	1.7
99.11729	1.4
103.05473	0.9
105.03396	12.6
105.04514	1.2
105.07026	15.5
107.04952	5.0
107.08586	4.6
109.06545	3.0
109.10159	16.3
111.04474	1.4
111.08079	8.8
111.11710	2.6
113.05990	0.5
113.13276	0.6
115.05469	1.3
116.06226	0.8
117.07038	2.1
119.04958	1.6
119.08588	14.1
121.06494	2.7
121.10156	5.3
123.04431	1.7
123.08124	1.4
123.11703	7.3
125.09647	0.5
125.13308	1.1
128.06221	1.1
129.07011	10.7
131.08563	8.6
131.09462	0.6
131.47449	0.6
133.06505	3.5
133.10158	4.7
135.08096	0.6
135.11748	1.1
137.06024	0.7
137.09647	1.4
137.13272	3.5
139.14868	1.0
139.54950	0.5
142.07785	3.6
143.08630	0.9
145.10162	0.9
147.08051	3.8
147.11687	7.5
149.09644	5.3
149.13252	0.9
151.14880	1.7
157.10123	9.8
159.99818	0.5
161.13240	0.7
163.65826	0.5
165.12804	1.9
165.16309	0.8
175.11183	10.6
179.14384	2.0
185.13226	0.6
193.12245	67.3
194.12668	2.4
205.12303	0.8
213.12892	0.9
221.22757	2.2
228.74129	0.5
231.13895	1.1
239.23688	12.1
239.25900	0.9
249.14847	7.0
249.16891	0.5
259.20654	0.6
277.21579	1.3
505.26129	46.5
505.38846	97.6
506.26312	4.1
506.39285	7.3
515.30377	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
53.03944	0.3
54.04258	0.2
54.47525	0.2
64.90285	0.2
69.42664	1.1
70.04288	0.2
70.61971	0.2
78.03454	0.6
80.05021	3.6
86.87138	0.2
93.07055	0.2
95.04974	0.4
96.04491	2.5
105.03388	4.0
106.02995	0.4
106.03718	1.3
114.52044	0.2
122.02564	0.2
123.43875	0.2
124.03953	100.0
125.04296	1.6
140.03442	0.3
163.87073	0.2
165.05487	0.2
179.07062	0.2
183.08063	0.2
197.05905	0.2
197.09587	0.3
198.06689	0.2
210.06892	0.2
211.07541	0.4
221.09827	0.2
225.05531	0.3
225.09059	0.4
228.23495	0.2
235.07590	0.3
235.11188	0.3
239.06992	0.3
240.07732	0.4
241.04950	0.5
248.08369	0.3
249.09145	0.2
251.07137	0.3
253.05269	0.2
253.08620	0.4
255.06583	0.7
256.07257	1.1
263.10745	0.6
264.11661	0.2
265.08585	0.4
269.04556	0.4
269.08060	0.3
278.09482	0.3
279.10281	0.2
280.10934	0.3
283.06088	1.0
283.09549	0.4
284.06857	0.3
285.07492	0.2
291.06735	0.3
291.10211	0.6
293.08231	0.3
293.11713	0.6
295.10245	0.2
295.13223	0.8
296.06732	0.2
296.13953	0.2
297.07556	0.6
298.04807	0.2
300.06119	0.3
306.08865	0.3
307.09744	0.6
308.10046	0.2
310.08228	0.5
311.09302	0.8
313.07089	0.5
314.07843	4.7
315.08322	0.5
321.11295	1.8
322.12000	0.6
323.09329	0.3
323.12820	0.7
325.14417	0.8
327.08524	0.4
337.10318	0.2
338.11508	0.3
341.10126	1.0
352.13065	0.3
353.13800	4.5
354.14435	0.2
383.14877	8.6
384.15164	0.3
387.58780	0.2
488.28687	1.2
505.29156	1.7
506.23041	0.7
506.29565	14.8
507.29654	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02405	0.2
53.03968	0.2
53.78738	0.1
57.03434	0.3
65.03934	0.8
69.03418	0.7
69.76186	0.8
70.06576	0.2
76.91964	0.2
81.03425	0.7
85.02905	1.0
91.05478	5.5
97.02882	0.3
105.03390	0.5
105.07050	0.6
109.02876	0.3
119.04945	16.2
120.05253	0.5
127.03916	0.5
137.09518	0.1
145.04921	0.2
147.04405	100.0
148.04747	2.8
151.07576	0.2
165.05487	2.0
210.52556	0.1
210.79581	0.1
211.05783	0.3
212.06252	0.2
280.09583	0.2
290.89108	0.2
291.08600	0.9
292.59546	0.2
309.09647	2.8
471.14902	0.3
506.22739	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.5
61.02924	1.0
61.81749	0.3
65.03937	1.1
69.03423	2.2
69.39162	0.7
69.39567	1.8
71.05006	0.4
73.02909	0.5
81.03410	0.9
85.02901	8.9
87.00902	0.3
91.03959	0.3
91.05478	6.6
97.02884	2.4
98.22587	0.6
98.97557	0.3
99.15677	0.3
105.03375	0.6
105.07027	0.5
109.02852	0.8
119.04939	18.9
123.04421	1.0
127.03918	2.1
136.97333	0.3
145.04933	2.9
147.04401	100.0
148.04771	3.1
163.06058	0.8
165.05472	43.6
166.05811	0.9
180.08685	0.9
184.44536	0.3
261.16025	0.3
261.18668	0.4
309.09589	0.8
344.13391	0.6
368.98981	0.4
506.23004	0.4
507.19571	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73471	0.3
57.03438	0.2
65.03941	0.7
69.03414	0.6
69.24603	1.9
81.03412	0.5
85.02894	1.1
86.06068	0.3
91.05477	7.1
92.53045	0.3
95.04951	0.2
96.40472	0.2
97.02909	0.5
98.22532	0.4
105.03375	0.6
109.02879	0.7
119.04939	18.3
120.05228	0.5
121.98223	0.2
123.04396	0.2
127.03907	0.6
136.07613	0.3
146.08069	0.2
147.04405	100.0
148.04727	2.9
151.65742	0.2
165.05502	2.5
177.05415	0.6
273.07486	0.3
291.08493	0.9
309.09674	3.6
314.67554	0.3
358.19907	0.2
381.66449	0.2
416.37436	0.3
458.11594	0.3
468.61615	0.3
506.23029	4.1
528.68274	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01875	6.2
57.03159	0.6
57.03435	10.6
59.04997	1.0
60.04511	1.0
61.02922	3.9
65.03945	1.1
66.22958	0.6
67.05505	0.8
69.03428	13.6
69.77020	2.7
71.01343	2.2
73.02916	12.7
76.49896	0.6
79.05474	1.7
81.03403	2.3
85.02904	22.3
87.04460	1.3
91.03952	0.6
91.05480	2.0
93.03392	1.6
94.06596	0.5
95.04974	0.6
97.02888	15.4
98.23296	0.7
99.04410	0.8
101.27822	0.5
103.03917	0.8
103.05468	9.1
103.66444	0.5
105.07010	3.4
107.04953	10.2
109.02881	2.5
110.09743	0.8
111.04435	0.9
114.05559	0.7
115.03928	8.1
115.05473	1.1
117.06982	0.8
120.05711	1.3
120.08095	1.0
121.06499	1.4
127.03915	6.0
131.04906	2.2
132.06567	0.7
133.04962	11.1
133.06502	0.9
133.10097	0.6
135.04364	0.5
135.08051	8.6
137.05975	0.7
138.09175	0.9
139.03880	5.9
144.06551	2.0
145.04959	7.0
145.06042	0.9
145.06459	0.6
145.07561	0.8
147.04358	1.0
148.05157	0.7
150.07587	1.9
154.06242	44.0
155.06596	0.9
161.05988	0.7
162.07631	1.7
163.06088	2.0
163.07529	35.5
164.07848	1.2
165.05470	0.8
165.09076	0.5
166.08633	2.3
167.07037	1.9
180.07742	2.0
180.08855	0.8
195.10161	100.0
196.10461	3.1
241.07208	1.0
265.09860	0.7
291.12335	0.9
353.11450	0.8
364.72614	0.7
396.43951	0.6
439.79962	0.6
506.19781	0.6
507.23929	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11504	0.9
53.03941	1.4
55.01872	1.2
55.05509	1.8
57.03437	11.6
59.67060	0.8
61.02912	1.0
65.25644	0.9
69.03425	2.0
69.31123	5.7
71.04993	88.7
72.80214	0.9
73.02903	1.9
75.04470	3.9
80.25492	0.8
81.03407	1.2
83.04989	6.1
85.02905	100.0
86.03243	2.1
87.04467	2.2
93.07017	1.1
94.20113	0.8
95.04954	0.9
97.02877	2.9
98.22564	0.9
99.04431	1.2
103.05458	2.4
108.11050	0.9
109.02901	1.2
109.14607	1.0
111.04440	2.5
112.95183	0.8
113.23753	1.0
121.06503	3.7
125.02363	1.0
127.03891	3.1
129.05482	38.8
137.05971	1.2
140.04683	6.6
145.04936	2.8
147.06532	18.7
149.05969	5.3
153.05476	2.7
155.98322	0.9
164.09212	2.8
181.08592	26.1
191.07068	1.3
193.08751	0.9
194.13512	0.9
198.18784	0.8
205.08679	2.9
232.07468	1.0
247.07564	0.9
247.09720	5.1
262.38840	0.9
267.72427	0.8
329.87546	0.9
506.19656	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01871	1.2
55.05507	2.5
57.03448	10.9
59.04999	0.8
61.02946	0.8
67.05500	2.0
69.03418	3.4
69.07062	2.6
70.63801	0.9
70.64127	1.3
71.04994	70.9
72.42911	0.7
73.02917	2.7
75.04474	4.4
79.05493	2.1
81.03417	0.9
81.07053	4.5
83.04977	7.6
85.02905	100.0
86.03247	1.4
87.04458	3.0
91.05493	2.9
93.07035	2.2
95.04948	0.9
95.08612	3.6
97.02890	3.3
97.06537	1.8
99.04446	2.4
105.03392	1.2
105.07028	1.9
107.04982	1.1
107.08588	2.2
109.02861	1.0
109.10150	3.2
111.04456	4.6
111.08073	1.0
119.08594	1.2
121.06513	2.0
121.10126	2.0
123.04503	1.3
123.08095	1.3
124.05241	5.7
127.03902	3.6
129.05479	39.4
133.10071	0.9
135.08026	1.1
137.05994	2.4
137.09671	1.1
139.07523	10.1
143.08507	1.4
145.04987	2.7
145.10167	1.1
146.08133	1.4
147.06526	20.3
147.11711	1.0
149.13289	1.1
151.03943	2.2
152.04257	1.1
155.08620	0.9
161.06006	0.9
163.07440	0.8
163.14874	0.9
164.09203	5.9
165.09140	3.7
175.07503	0.8
177.09103	2.5
181.12238	5.2
189.09068	0.8
192.11029	1.0
193.08755	0.8
205.08633	1.1
205.12270	1.7
247.13350	1.0
255.08752	1.3
281.11664	0.7
300.28305	0.8
302.20251	0.7
325.97623	0.9
430.12265	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91951	3.6
64.13239	3.4
71.16696	5.4
86.00643	3.1
105.03395	19.9
109.10179	3.7
137.05991	3.8
151.49886	3.5
159.08099	4.3
257.08041	4.0
279.10144	9.2
281.08237	3.7
282.08905	4.4
288.87070	3.9
295.13367	4.7
299.09180	6.6
309.11203	5.5
309.14731	4.5
313.10678	6.6
314.11252	5.7
317.10153	7.0
318.10870	4.3
323.12808	16.5
324.09949	4.1
327.12338	6.7
332.12521	10.5
337.14426	13.1
338.14969	6.2
341.17508	5.3
345.13358	6.3
354.14462	4.8
355.15311	13.0
369.16986	17.4
370.17657	20.3
378.31937	3.8
401.19550	69.1
402.19815	5.5
411.02560	4.0
419.60452	4.3
439.21115	8.3
471.23792	100.0
472.24118	4.7
507.30582	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01891	1.1
55.05503	3.4
57.29536	1.0
57.38264	0.8
67.05518	4.6
69.01427	9.3
69.03421	3.2
71.05006	1.6
79.05505	6.3
81.07062	12.4
83.04991	2.8
90.07513	0.9
91.05481	10.4
91.28812	0.9
93.07042	8.0
95.04976	5.6
95.08591	4.2
97.02888	3.2
97.06501	1.3
98.22527	1.5
99.04439	1.9
103.05477	1.3
105.03402	4.2
105.07036	12.5
107.04956	1.8
107.08575	6.6
109.06544	7.9
109.10138	2.6
110.29459	0.9
111.04405	2.0
111.08102	1.4
115.05431	1.7
117.07006	4.8
119.08586	8.5
121.06506	3.0
121.10151	3.8
121.77532	0.9
123.04396	2.7
123.08070	3.0
123.11712	1.2
128.06175	1.1
129.07005	3.0
129.34468	1.0
131.08569	10.0
133.06494	12.2
133.10172	5.7
133.11003	1.5
135.08076	5.6
135.11707	1.5
137.05994	12.3
137.09618	1.4
141.07047	1.4
142.07829	1.3
143.08546	4.0
145.06502	4.7
145.10127	10.1
147.07994	5.4
147.11673	3.0
149.05942	1.1
149.09631	4.5
151.06302	1.1
151.07561	2.7
155.08574	3.2
157.10114	4.1
159.08064	5.5
159.11710	3.9
161.09645	2.6
163.07535	15.9
163.11206	2.3
165.07068	1.7
165.09114	3.5
169.08548	1.0
169.10129	2.0
170.98419	1.2
171.08000	1.8
171.11697	2.2
173.09589	3.9
173.13223	1.5
175.07507	2.0
175.11185	1.9
177.09105	4.2
179.08554	1.4
179.10658	4.2
181.10139	2.0
183.11646	2.9
185.09613	1.3
185.13272	2.2
187.07613	1.1
187.11244	1.9
189.09077	2.2
191.10675	15.0
193.10233	1.6
193.12149	1.8
195.11710	2.4
197.09662	1.8
197.13275	2.3
199.11116	1.2
201.09122	1.1
203.10727	2.0
203.14412	1.3
205.12202	3.7
207.11774	1.0
209.13368	1.3
211.11096	1.3
213.12773	3.0
215.10715	1.1
217.12143	1.8
225.12672	1.9
227.14177	1.2
229.12280	1.9
231.10204	1.7
231.13814	4.9
233.13318	1.8
233.15468	2.7
241.12303	1.5
243.13879	2.3
245.15450	1.9
249.14742	5.6
251.14444	2.1
255.51733	1.0
257.15381	1.9
263.18201	1.3
269.15350	3.2
279.13794	2.4
291.17480	1.6
297.14859	3.3
299.20151	1.7
301.18222	1.5
307.17169	1.5
309.18445	3.7
315.15912	1.6
327.19498	4.3
337.17850	5.1
345.20538	1.3
355.19025	17.9
355.23303	1.1
373.20267	5.6
388.20432	1.1
417.20172	1.1
423.21521	1.3
435.21506	4.1
453.22745	13.7
470.26410	1.6
471.23782	100.0
472.24213	9.7
475.26193	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.4
56.90311	3.6
61.74885	2.9
62.70737	2.9
68.46271	2.8
69.04383	13.8
69.04813	18.0
77.16398	3.1
93.89095	3.4
95.04991	7.2
95.08589	3.5
98.22575	7.5
105.03387	37.2
105.07039	3.5
107.17431	3.2
137.05997	8.0
151.03889	8.1
158.46999	3.2
161.43697	3.3
175.07451	3.1
187.47989	3.2
203.10733	5.3
221.09708	3.6
225.85841	3.0
279.10135	3.8
281.08176	4.2
285.11008	3.6
295.13354	5.9
299.09256	5.2
312.10013	4.5
313.10638	9.3
317.10364	6.2
318.11111	5.0
323.12756	9.3
327.12250	6.8
328.12909	5.3
332.12509	6.7
338.15216	11.1
339.12207	5.1
345.13416	3.8
354.14346	4.0
355.15344	8.4
359.14688	4.0
369.17047	20.0
370.17545	14.7
371.14911	6.8
386.17340	10.7
401.19577	100.0
402.19968	8.4
412.19183	4.8
443.20648	53.2
444.20840	4.9
507.27045	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.05506	14.9
59.04989	2.9
67.05502	14.1
69.03423	4.2
69.07065	9.5
69.53525	9.8
75.08550	2.4
78.78001	2.3
79.05469	10.8
81.07040	10.6
83.04978	50.6
84.05294	2.4
91.05482	11.5
93.07033	19.5
95.04964	5.3
95.08609	21.7
97.06546	3.6
98.22683	4.1
103.05478	3.6
105.03385	23.9
105.07033	16.2
106.03698	3.4
107.08572	11.4
108.08979	2.7
109.06527	5.5
109.10164	9.4
111.04461	5.9
111.08084	4.2
115.05423	2.7
117.07014	5.3
119.08586	18.6
121.06499	5.6
121.10134	8.1
123.08054	5.4
128.78778	2.5
129.07027	6.1
131.08577	11.4
133.10129	13.5
135.08070	2.4
141.07085	4.0
142.07773	4.3
142.18907	2.4
143.08504	12.4
145.06532	2.5
145.10139	16.3
147.08093	2.6
147.11646	5.8
149.09550	3.6
154.07681	3.0
155.08537	9.3
156.09308	4.6
157.10107	16.4
159.08075	6.7
159.11711	14.2
160.12175	2.4
161.09642	4.9
161.13277	4.1
165.07005	2.8
167.08649	2.8
169.10083	10.8
171.11676	7.7
173.09653	6.5
173.13298	3.3
175.11226	5.4
179.08495	4.3
181.10146	8.3
182.10989	2.6
183.08047	4.0
183.11650	8.4
184.07358	2.8
184.12492	2.7
185.09689	4.7
185.13225	6.1
187.11124	4.9
189.09209	2.4
189.12764	3.6
191.08492	2.3
191.10687	3.2
192.09236	3.4
193.10135	5.5
195.11700	8.3
196.12524	2.9
197.13304	13.2
199.14847	6.4
207.11734	6.1
208.12169	3.1
209.09650	3.1
209.13303	8.6
210.10408	2.8
211.11150	4.7
211.14841	6.2
213.12772	4.6
221.13145	2.4
223.11151	5.0
223.14796	6.8
225.09099	2.8
225.12712	5.1
225.16382	3.2
231.13770	4.7
233.13199	6.1
234.14047	3.3
235.11156	2.6
235.14876	5.8
237.05527	3.1
237.12756	3.4
237.16397	2.6
239.14406	2.3
241.12033	2.3
243.13838	3.6
247.14842	4.4
249.16431	3.4
251.07132	2.8
251.17937	2.8
252.07680	2.6
253.08461	4.6
255.13931	3.9
261.12708	3.0
263.17984	3.0
265.15738	2.8
267.06677	3.4
267.13831	3.0
275.14307	4.1
277.15839	5.3
279.06546	3.1
279.17331	3.1
281.08115	9.4
283.16992	2.6
293.15424	2.8
295.17010	7.5
297.07825	2.4
303.17511	3.6
309.18329	3.3
311.09174	4.3
313.10715	9.0
313.17856	3.4
321.18362	5.3
325.21692	3.9
328.09409	4.5
341.10190	19.1
343.11771	3.1
377.24893	2.4
379.26581	4.0
389.24924	15.9
389.28986	3.2
391.26364	3.1
399.23145	7.9
405.24234	5.7
407.25790	19.0
408.26031	4.8
409.27054	6.2
417.24246	36.0
418.24277	3.2
423.25433	12.7
425.26965	2.9
435.25290	100.0
436.25574	7.0
453.26282	49.1
454.27017	2.9
465.78912	2.3
471.27310	8.7
475.24319	4.0
489.26041	7.2
506.25369	32.0
507.27328	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57256	1.3
55.05514	4.8
56.81880	1.8
57.07079	5.5
67.05502	6.3
69.07067	4.1
71.08637	4.5
71.30064	2.4
79.05499	4.2
80.87508	1.5
81.03420	7.5
81.07054	11.0
83.08617	3.9
91.05471	2.7
93.07044	9.6
95.04975	3.3
95.08616	6.0
96.08923	1.7
97.10184	1.8
105.03397	2.5
105.07058	3.0
107.08593	5.6
109.10162	3.0
111.08051	2.3
119.08593	3.4
121.06528	1.9
121.10175	1.8
133.10150	2.2
139.07581	4.0
149.05943	7.5
151.07526	12.2
157.10190	2.1
167.07039	100.0
168.07355	3.6
209.08087	42.1
210.08437	2.3
341.16498	1.7
429.33768	5.2
471.34637	3.6
506.39578	8.5
507.23785	1.9
507.40314	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.7
55.05502	20.0
57.07091	30.2
57.07321	4.6
67.05511	41.3
69.07078	36.1
71.05001	7.9
71.08635	14.9
73.39296	5.8
79.05492	24.9
81.03410	9.6
81.07047	64.6
82.03786	5.2
82.66207	5.5
83.08620	18.3
85.06541	20.3
85.10194	6.6
91.05473	37.2
93.07053	41.1
95.04948	9.7
95.08601	36.2
97.10160	11.3
98.23401	10.4
99.08080	6.5
105.03362	17.6
105.07031	100.0
107.08575	32.0
107.63436	5.6
108.30864	5.2
109.10130	32.9
117.07021	15.5
119.08578	93.7
121.10157	23.5
123.11687	13.2
131.08522	31.1
133.10106	40.2
135.07993	6.8
135.11694	9.8
141.83939	5.6
145.10126	24.0
147.11708	24.3
149.13255	9.4
159.11699	67.8
161.13264	67.1
163.11203	11.1
170.74925	5.7
177.12721	5.9
186.63599	5.2
201.16376	12.2
203.17958	78.7
217.75047	6.2
219.17380	13.3
275.86926	6.4
290.79376	6.8
506.22250	7.0
506.38916	22.4
507.40787	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
53.35829	1.1
55.05511	6.0
57.03422	3.5
57.07074	7.9
60.54653	1.0
66.46263	1.0
67.05509	12.4
68.52966	1.0
68.88218	1.1
69.07069	5.2
69.34631	7.3
71.08636	3.7
75.07550	1.1
79.05519	6.0
81.03424	4.5
81.07062	9.6
82.07358	1.1
83.08614	5.2
85.06558	1.1
85.10213	2.7
91.05473	4.6
93.07054	5.4
94.49381	1.1
95.04980	3.9
95.08601	9.0
97.06508	1.3
97.10188	2.7
98.22630	2.1
105.03385	15.5
105.04475	1.5
105.07055	3.2
106.03703	5.8
107.03962	1.6
107.08597	3.7
107.69548	1.1
109.10186	5.5
113.86916	1.0
119.08575	2.0
121.10159	3.5
123.11680	1.6
129.07050	1.3
131.08553	3.8
133.10136	2.4
135.11725	1.8
137.05988	1.4
143.08574	1.5
145.10103	1.9
147.11671	1.9
157.10106	2.0
159.11720	1.1
173.13208	1.4
176.99281	1.4
177.18050	1.1
182.07211	1.3
183.11865	1.4
195.00304	41.2
196.05104	1.2
197.00682	3.0
197.05853	1.9
197.09633	1.2
210.06871	1.4
211.07578	3.6
223.07475	1.3
225.09158	3.7
227.07014	1.7
229.04947	1.2
229.14360	3.0
235.11177	2.0
235.13420	1.7
237.09138	3.5
238.06293	2.2
239.07021	5.0
240.07823	2.4
241.05080	1.7
241.08420	1.2
243.06432	2.4
248.08244	2.3
249.09093	3.8
251.07291	1.3
251.10657	1.6
253.04822	1.3
253.08617	4.2
254.05707	1.8
255.06557	3.3
256.07385	1.5
257.04526	1.5
261.22104	2.0
263.10672	4.6
264.11401	1.7
265.08649	4.7
265.12125	2.0
267.06525	3.7
267.09998	1.6
267.13690	2.4
268.07278	2.7
269.04102	2.1
269.07974	1.5
270.05215	1.5
271.05997	2.6
277.08865	1.5
279.10172	2.5
280.11087	3.5
281.08057	4.7
281.11377	1.6
282.08389	2.0
283.06015	5.2
283.09357	2.3
284.06595	1.7
285.07596	4.2
287.05664	1.7
291.10056	5.3
293.08066	3.3
293.11789	3.3
295.10056	1.8
295.13293	8.6
297.07520	4.8
297.11026	2.1
298.08276	1.9
299.09061	1.9
300.06143	2.2
301.07135	4.7
302.07831	9.6
307.09668	2.0
308.10281	3.2
309.11288	3.6
311.09167	6.6
312.09851	2.1
313.27344	10.2
315.08453	1.7
316.09375	12.6
317.10110	3.4
321.11261	2.8
322.11859	2.0
323.09213	1.7
323.12738	6.8
324.13614	1.4
325.10675	2.6
325.14304	1.8
327.15921	5.4
329.10181	2.2
340.12985	2.6
343.11731	3.1
353.13770	10.9
354.14484	7.1
355.15369	34.3
356.15909	2.1
361.10345	4.8
375.11963	1.4
376.12778	14.9
377.13492	12.2
385.16455	50.1
386.16788	4.3
392.12064	1.5
407.14630	100.0
408.14825	8.6
448.17047	3.1
506.38730	1.9
507.27924	1.7
507.40152	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
65.14700	0.7
67.05509	0.7
68.60197	0.7
69.99264	2.6
88.41609	0.9
91.05486	1.3
95.08630	1.2
105.03397	5.2
106.03731	1.6
131.08646	0.7
143.56044	0.7
151.86462	0.8
165.06895	0.7
169.81538	0.9
210.06810	1.1
210.08870	0.7
211.07568	1.2
225.09119	1.2
235.11307	0.8
237.09129	1.1
239.07031	0.8
253.08694	1.5
254.05772	1.1
255.06430	1.2
263.10513	1.1
263.79346	0.8
265.08640	2.1
268.07303	1.0
270.05219	0.9
277.08429	1.4
280.10831	1.5
283.06006	1.1
285.07751	1.7
291.10120	0.9
293.08243	1.4
293.11462	1.0
295.09918	1.1
295.13235	2.7
297.07642	0.9
301.07050	1.1
308.10544	1.1
309.11295	1.1
311.08954	1.0
312.10049	0.8
315.08621	1.0
316.09369	4.3
323.05313	16.9
323.08612	0.8
323.09274	1.4
323.12497	4.7
324.05463	0.8
324.13486	1.0
329.10242	1.1
331.09232	0.8
338.07623	16.4
338.11185	0.8
343.11658	1.7
346.11743	1.3
349.14273	1.1
353.13736	4.0
354.14508	1.0
355.15433	6.2
361.10440	7.1
376.12830	9.3
377.13596	8.4
378.13947	0.8
385.16458	19.3
392.12296	2.0
407.14645	93.9
408.14899	6.2
427.85577	0.8
445.30859	1.3
448.17380	1.8
449.26669	9.8
489.29727	23.7
490.29956	0.8
507.31198	100.0
508.31430	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2014
Annotation	Kadsuralignan K
Peak:m/z	Relative Intensity
53.03951	10.6
54.16565	1.4
54.44290	1.5
65.89235	1.5
69.19814	12.7
73.81232	1.3
77.03919	2.1
79.79359	1.3
82.80410	1.3
91.05493	5.1
95.04973	8.7
96.05267	2.5
98.23473	1.5
100.38915	1.3
105.03394	100.0
105.04518	3.6
106.03721	17.5
107.03915	2.6
130.34735	1.6
176.42085	1.6
243.68774	1.6
278.63785	1.6
283.06085	1.7
302.07697	1.8
315.47290	1.4
341.10223	2.2
352.19479	1.4
352.31952	1.5
355.15402	4.4
383.81671	1.5
385.16470	4.8
433.13022	2.1
450.35562	1.6
457.16321	4.8
458.16907	4.6
467.70956	1.5
489.19107	10.1
490.19150	2.0
507.19717	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.4
53.03947	9.2
62.98251	0.8
67.05513	2.0
69.16319	6.4
77.03921	1.6
81.03418	0.9
85.62965	0.7
90.07458	0.6
95.04980	9.0
97.47478	0.7
98.22526	1.4
105.03391	100.0
105.04533	4.4
106.03725	5.2
114.19687	0.7
118.72333	0.7
119.08598	0.7
131.18805	0.7
153.06985	1.0
165.07002	3.9
167.08488	1.1
179.08565	1.1
181.06502	1.5
182.07260	6.7
184.05115	0.9
194.07362	0.8
195.08069	1.3
196.08904	1.2
197.09592	5.4
199.03952	0.9
199.07565	3.4
203.10677	1.4
209.06036	0.8
210.06757	9.8
211.07471	1.1
212.08229	0.9
213.05368	0.7
215.06882	0.9
221.15561	0.8
224.08377	2.2
225.09093	23.0
226.09625	1.5
227.07016	9.5
228.07779	1.6
237.05476	1.8
238.06229	6.8
239.06940	1.6
241.05246	0.8
241.08583	2.6
242.09421	4.7
243.09956	0.8
244.07390	1.1
250.09755	0.9
251.07074	1.0
252.07739	4.3
253.08595	21.8
254.09143	2.8
255.06494	6.9
256.07251	1.5
257.11758	1.3
259.06131	1.9
264.07919	1.0
266.05716	2.6
267.06540	4.8
267.10168	3.0
268.07275	1.1
269.08112	2.1
270.08856	9.2
271.09451	1.1
272.06952	1.8
279.10104	0.8
280.07306	1.3
281.05118	1.0
281.08054	26.9
282.08810	5.7
282.11768	1.1
283.06094	2.5
285.11197	7.7
286.11710	0.8
287.05496	2.3
287.09067	2.0
293.11783	2.2
295.09631	2.6
297.07559	2.0
298.08356	5.2
299.09244	4.8
302.07858	1.8
310.11935	1.4
313.07001	1.7
313.10672	37.4
314.11316	5.6
315.08722	1.4
317.10199	3.3
321.11237	1.3
323.09259	1.8
330.10999	1.7
338.11606	1.0
339.12326	2.3
345.13318	54.5
346.13687	2.8
353.13733	5.8
354.14328	1.4
357.16843	1.3
385.16412	15.0
386.11029	0.9
386.16397	0.9
401.13232	1.3
424.11465	1.1
445.30640	1.6
447.17642	3.5
449.15903	1.9
449.26501	3.5
463.32034	1.2
488.36768	1.2
489.29819	3.3
502.41666	0.8
506.38535	1.1
507.30814	62.4
508.31509	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2226
Annotation	Aviculin
Peak:m/z	Relative Intensity
51.02400	0.6
53.03941	1.2
55.01870	1.3
55.05490	0.7
57.03426	1.7
65.03931	0.7
65.54192	0.6
67.05508	1.0
69.03419	1.6
69.06691	2.6
69.07114	2.5
71.04996	5.7
73.02920	4.3
76.61676	0.7
78.04677	2.5
79.05497	5.1
80.95170	0.5
81.03413	1.0
81.07052	0.6
83.04977	0.7
85.02421	0.9
85.02905	9.2
87.04508	0.8
91.05478	6.6
93.07034	2.5
95.04960	2.2
97.02879	0.8
99.04440	1.5
103.05487	3.2
105.03395	0.6
105.04539	0.9
105.07040	4.3
106.04173	1.4
107.04958	7.3
107.08596	1.3
109.02904	0.7
109.06503	1.5
111.04448	0.7
115.05465	5.8
117.05522	1.0
117.07017	5.8
118.04153	0.8
119.04942	2.1
119.08583	1.2
121.06511	3.4
122.03674	0.9
123.04432	6.9
123.08060	2.3
124.05238	2.7
125.06010	1.0
127.03914	0.9
127.05457	0.6
128.06238	2.6
129.05452	1.4
129.07018	4.4
130.04141	0.8
131.04932	4.4
131.08559	2.0
133.02887	0.7
133.04956	0.5
133.06493	2.2
135.04443	1.2
135.08064	2.2
137.02324	0.7
137.05980	7.8
141.06978	1.8
143.04930	0.7
143.08588	1.5
144.05693	1.7
145.06497	9.4
146.03610	2.0
147.04445	1.1
147.08069	1.4
148.05209	1.0
149.05971	2.3
149.09651	0.9
151.03926	3.0
151.07545	16.0
152.04662	2.0
153.01923	0.9
153.05508	1.3
153.06973	0.9
154.06320	0.6
155.05988	3.3
155.07375	0.6
155.08516	3.6
157.06511	4.6
158.07338	0.7
159.04309	1.0
159.08066	2.0
160.05212	1.8
161.05980	8.0
161.09637	2.2
162.06674	0.7
163.03947	0.6
163.07559	4.0
165.05602	1.0
165.07025	2.4
165.09145	1.4
166.06255	0.9
167.07045	100.0
168.07387	1.8
169.06490	1.7
171.04494	0.9
171.08061	2.5
172.05267	0.8
173.05998	11.0
174.03146	1.3
174.06731	1.7
175.07553	19.8
176.04608	0.9
177.05533	3.0
177.09132	6.6
178.06248	1.2
178.07765	0.7
179.08562	1.1
181.00871	0.6
181.04990	0.9
181.06906	1.0
181.08571	10.2
182.07188	0.9
183.07996	3.5
185.05885	0.9
185.09541	0.7
187.05998	0.8
187.07545	6.4
188.08237	0.8
189.05489	2.8
189.09111	10.8
190.06261	1.7
191.07036	5.7
191.08571	1.0
191.10637	1.3
192.04269	0.9
193.08595	4.9
195.06465	0.7
195.08247	1.5
195.10161	11.0
196.10489	1.8
197.07980	0.8
197.09624	1.5
198.06779	0.9
199.07530	1.7
201.09103	3.4
203.07028	2.2
203.08760	0.8
203.10687	1.7
204.07640	0.6
204.09410	0.7
205.06670	1.2
205.08572	11.6
206.07234	0.7
206.09129	0.6
207.06503	8.9
207.08223	1.0
207.10043	3.3
209.06160	0.9
209.08058	5.4
211.07640	0.9
213.09151	1.7
215.06990	2.2
215.08783	0.6
215.10635	1.2
217.08626	2.8
218.07294	0.9
219.08086	1.3
219.10110	7.5
221.06195	0.9
221.07915	3.5
221.11745	1.1
223.07523	0.8
225.09177	2.9
229.04927	1.0
229.08507	1.1
231.08156	1.2
231.10249	1.6
232.08957	0.8
233.08066	2.3
233.11768	1.1
234.06737	0.9
235.07549	1.0
235.09634	1.3
237.09079	1.1
237.11241	0.7
238.09879	0.6
239.10660	1.0
241.08627	1.0
243.10179	1.3
244.08743	0.7
245.09602	0.6
245.11734	0.7
247.07541	1.0
247.09712	2.0
248.08228	1.0
249.09151	1.2
249.11351	1.1
250.09631	0.9
251.10594	0.6
252.07884	0.7
253.08554	1.3
255.10219	1.9
257.11835	1.4
259.07510	0.6
260.08325	0.7
261.08957	1.6
261.11356	3.6
264.07904	1.0
265.08475	1.4
266.09177	1.0
267.10141	0.8
273.11362	0.7
275.10446	1.1
276.07956	0.9
277.05716	0.6
277.08679	2.2
278.09451	1.4
279.10165	1.0
281.11490	0.7
283.09662	1.7
285.11276	0.8
289.08325	0.9
290.09509	0.6
291.10004	1.5
292.10718	0.6
293.11816	1.5
295.09576	0.9
299.09274	0.6
299.12875	1.2
303.04932	7.7
303.10071	1.3
304.10629	1.0
305.08340	0.8
305.11533	1.1
306.08679	0.8
307.09628	1.9
309.11194	2.3
311.09323	0.6
311.12674	1.1
317.13788	2.3
319.09766	1.2
319.13141	0.8
321.11005	1.3
322.12210	0.6
323.09225	1.1
323.12793	1.1
327.12390	1.3
329.14023	0.8
331.15402	0.7
332.10538	1.0
333.11053	0.9
335.12802	1.8
337.14297	1.3
338.11383	0.7
339.12305	1.2
340.12848	0.7
341.13907	3.1
343.15405	1.8
347.12717	1.6
351.12256	1.8
353.13739	2.4
358.14243	1.2
359.15192	1.1
361.16516	7.2
364.13077	0.9
365.13855	4.9
367.15408	0.8
371.14841	1.6
373.16479	2.6
383.14850	1.2
385.16486	3.3
387.18097	2.4
395.14743	1.0
397.16415	10.2
415.17609	0.9
435.18188	0.8
453.19110	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.9
55.01877	12.8
55.05507	21.2
65.03951	5.6
67.05508	37.2
69.03443	15.3
69.07071	11.1
71.04997	7.2
79.05500	41.8
81.03429	20.7
81.07056	61.4
83.04974	36.7
91.05482	71.3
93.07047	62.5
95.04971	33.7
95.08607	41.4
97.02902	12.7
97.06548	9.8
97.10147	5.0
98.23466	11.0
99.04465	7.9
103.05509	6.6
105.07027	53.4
107.04970	12.3
107.08587	31.0
109.02872	11.3
109.06540	27.0
109.10160	10.0
110.73344	4.8
111.04440	26.5
111.08096	13.1
115.05461	20.5
117.07024	33.0
119.08582	46.6
121.06496	34.8
121.10142	19.5
123.04449	9.3
123.08073	20.3
125.06023	10.3
128.06227	22.5
129.07031	32.5
131.04904	9.9
131.08571	36.5
131.55330	4.8
133.06480	14.2
133.10150	22.6
135.08061	19.1
135.11629	5.2
135.54420	6.9
137.05989	40.4
137.09650	5.1
137.34042	5.0
139.07574	7.2
141.07027	19.7
142.07776	16.5
143.08556	36.6
144.09157	6.1
145.06491	15.6
145.10129	39.9
147.08038	34.6
147.11705	9.1
149.06006	19.9
149.09608	10.8
152.06264	7.0
153.05544	6.8
153.06963	11.4
154.07773	12.6
155.08569	32.0
156.09357	11.8
157.06491	19.9
157.10123	29.5
159.08047	27.7
159.11736	12.2
161.06006	9.3
161.09628	23.2
165.05751	7.4
165.06947	27.9
165.09154	11.2
166.07672	9.5
167.08585	23.5
168.09273	9.4
169.06563	7.4
169.10094	29.0
171.08116	30.3
171.11653	9.7
172.08859	9.0
173.06013	10.0
173.09651	24.6
175.07617	26.5
175.11160	6.1
177.09180	14.3
178.07857	10.3
178.16772	9.5
179.08563	30.8
180.09328	20.0
181.06497	9.3
181.10181	18.7
182.10933	7.8
183.08047	17.6
183.11728	13.6
184.08865	7.2
185.09645	27.9
187.07590	10.8
187.11124	15.5
189.05495	6.8
189.07457	6.1
189.09053	34.7
191.08522	9.3
192.09406	9.7
193.08580	15.1
193.10190	18.8
194.10950	6.9
195.06421	5.0
195.07932	26.8
195.11691	44.8
196.08748	8.2
197.09644	28.3
197.13266	18.0
199.07597	9.8
199.11206	22.2
201.09148	13.7
203.08650	11.3
203.10655	15.4
205.10216	11.7
206.10875	8.3
207.11705	21.6
208.08781	11.6
209.09673	20.8
209.13303	18.4
211.07657	6.8
211.11206	25.1
211.14986	8.1
213.09138	19.4
213.12772	12.8
215.08720	9.4
215.10713	14.1
217.08444	10.5
217.10310	11.6
218.11032	5.9
218.98753	5.8
219.11723	7.5
221.09622	13.0
221.13216	13.1
222.10345	10.4
223.11221	29.1
223.13261	7.1
225.09167	7.5
225.12791	12.1
227.10683	8.4
227.14262	7.1
231.09961	9.2
231.11949	8.3
233.09669	12.9
233.13354	13.7
234.10312	10.9
235.11166	24.6
235.14917	7.7
237.12793	20.3
239.10661	20.4
239.14253	8.7
241.12242	43.1
243.11713	7.2
245.09561	6.4
245.13420	10.1
246.10313	6.2
246.14064	6.5
247.11188	17.9
248.11943	6.2
249.12775	15.6
251.10558	8.6
251.14432	9.6
253.12251	12.5
254.12967	8.5
257.13641	7.0
259.11090	12.5
259.14838	8.9
261.09125	6.2
261.12790	17.0
261.16476	6.8
262.09894	6.5
263.14310	12.2
265.12378	10.3
267.13928	7.8
273.12692	15.1
275.10654	8.3
275.14294	10.6
277.12167	7.0
279.13870	15.9
285.12631	10.3
287.10782	5.8
287.14224	14.2
289.12427	9.5
291.13815	12.0
293.15305	8.0
301.15933	12.5
303.13892	11.2
309.96756	5.6
311.14383	8.0
319.13226	7.8
329.15393	7.5
331.16705	6.6
333.15225	8.4
383.20190	7.7
407.19916	11.0
425.20993	30.0
429.21121	10.6
435.19229	6.7
443.22214	33.6
445.23447	15.8
447.21542	8.0
453.20963	25.8
461.23190	31.9
471.21759	72.2
472.21692	8.4
489.22699	92.6
490.22888	10.4
507.23447	100.0
507.34155	8.8
508.24191	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2375
Annotation	8alpha-Hypoglabroyloxyjaquinelin
Peak:m/z	Relative Intensity
53.03953	5.6
55.01884	5.0
55.05507	10.3
57.03423	3.9
65.03935	4.1
65.29247	4.0
66.74659	2.7
67.05505	21.6
69.03437	8.9
69.07055	7.0
69.75291	12.5
71.04990	3.3
72.81285	2.6
79.05485	26.6
81.07047	23.9
83.04973	15.4
85.02900	5.9
91.05470	34.0
93.07044	35.0
95.04980	14.0
95.08598	24.6
97.02917	5.0
97.06535	5.8
103.05470	3.7
105.03404	9.0
105.04498	3.9
105.07014	34.3
107.04923	5.0
107.08574	19.1
109.02895	4.0
109.06526	10.8
109.10168	7.0
111.04438	8.5
111.08086	8.2
113.02365	13.9
113.06037	3.8
115.05481	5.4
117.07058	15.3
119.08569	30.2
121.06496	15.6
121.10161	7.7
123.08064	6.2
125.06053	3.6
125.09615	4.8
127.03811	3.7
128.06223	9.8
129.07013	18.0
130.07828	4.4
131.08546	24.1
133.06487	11.6
133.10118	19.1
135.04451	5.9
135.08080	11.8
135.11729	5.0
137.05978	11.5
139.07510	4.9
141.06992	14.4
142.07779	11.2
143.08582	31.5
145.06496	8.2
145.10109	21.9
147.04399	4.5
147.08037	10.0
147.11664	8.0
149.09618	7.9
153.05501	8.1
153.06909	3.5
155.08540	32.5
156.09309	9.3
157.06506	6.7
157.10100	20.2
159.08067	15.5
159.11719	10.4
161.06015	6.3
161.09612	14.7
163.07518	5.5
165.07024	10.7
167.07109	5.7
167.08566	9.3
168.09381	5.0
169.06534	5.4
169.10104	19.8
171.08092	13.0
171.11742	16.6
173.09648	10.4
173.13307	5.1
175.07590	7.1
175.11189	3.5
178.07838	4.5
179.08566	14.0
181.06650	3.9
181.10164	11.8
182.10849	4.0
183.08015	5.4
183.11717	11.5
185.09625	12.3
185.13246	3.6
187.07553	4.9
187.11194	7.3
188.08173	4.0
189.09148	7.8
192.09326	6.5
193.10175	15.5
194.10948	5.7
195.08170	4.8
195.11745	15.0
196.08716	4.5
197.09657	10.6
197.13242	4.4
199.07518	5.9
199.11201	8.8
201.09019	6.4
203.08708	5.2
203.10686	8.2
205.08521	4.4
205.10191	10.8
206.10971	9.3
207.11708	24.4
209.09680	7.9
209.13269	13.6
211.11234	8.9
211.14806	7.9
213.09111	4.7
215.08778	3.8
215.10699	5.1
217.10165	8.6
217.12283	7.7
218.10951	4.8
219.11859	7.4
221.09642	5.8
221.13329	15.7
223.07558	4.6
223.11179	5.9
223.14841	5.2
225.09196	6.9
225.12779	5.6
226.13200	4.1
227.10684	7.4
229.12337	5.2
230.10965	5.3
231.11760	6.3
231.13849	4.8
232.12375	5.8
233.13272	5.8
234.13895	5.7
235.11188	7.8
235.14772	6.2
236.12007	5.7
237.12756	6.0
239.10606	4.7
239.14383	5.7
241.12372	5.9
243.11790	4.7
244.12390	3.7
246.14043	5.0
247.11252	5.7
247.14842	7.3
248.15831	3.9
249.08966	4.4
249.12888	6.4
249.16391	6.7
251.10851	4.3
251.14214	5.5
252.11363	4.4
253.12186	7.3
255.13799	13.0
259.11099	4.5
259.14807	9.9
260.15308	4.4
261.12750	5.6
261.16394	6.0
263.14291	5.8
265.12250	4.1
267.13922	16.4
275.14178	5.3
277.12378	4.8
277.15924	3.7
283.14777	3.8
289.16040	3.3
289.19537	6.8
291.13861	3.5
291.17084	5.2
293.15637	3.7
299.05545	9.8
303.13837	6.4
303.17358	4.8
305.15247	4.4
315.13718	3.9
319.16827	6.8
331.20676	5.0
333.18655	5.6
349.21597	100.0
350.22079	8.6
376.20102	4.4
377.21313	3.6
425.21179	8.7
435.20120	3.6
443.22006	23.6
453.20367	4.7
461.22928	16.6
463.21234	10.9
471.21533	24.7
489.22565	89.3
490.23172	7.7
507.23126	66.6
508.24307	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.8
51.02375	1.4
51.31257	0.1
53.03946	5.7
54.81325	0.1
55.01873	0.4
68.99779	0.1
75.40029	0.1
77.03925	2.0
81.03418	1.0
85.35825	0.1
95.04969	8.4
96.05300	0.1
98.22559	0.2
105.03389	100.0
105.04526	4.2
105.18893	0.1
106.03718	2.1
106.04829	0.2
118.06548	0.1
126.77910	0.1
176.99307	0.1
229.21246	0.1
312.50381	0.1
357.81516	0.1
401.19781	0.2
437.89978	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01862	2.5
55.05499	1.7
63.97164	1.2
65.03917	1.6
67.05488	4.5
69.03423	4.9
70.76954	2.6
71.04967	1.3
77.46016	1.1
79.05485	9.6
81.03409	2.1
81.07063	19.4
83.04978	5.3
85.02907	2.3
91.05486	13.5
93.07062	6.7
94.04166	1.3
95.04958	4.7
95.08622	3.8
97.02888	2.8
97.06512	1.3
99.04497	1.5
105.07024	10.6
107.04976	3.9
107.08608	4.8
109.02879	6.8
109.06538	11.0
109.10168	1.2
111.04457	7.5
113.02333	1.7
115.05462	4.6
117.07030	4.0
119.04924	2.2
119.08574	7.4
121.06524	6.4
121.10197	1.9
122.03665	1.7
122.83652	1.3
123.04434	2.3
123.08064	2.0
124.37102	1.1
125.05994	1.5
128.06232	4.9
129.07040	6.4
131.04872	1.8
131.08571	7.3
133.06488	3.7
133.10135	2.6
135.08034	8.0
137.05975	41.1
137.09547	1.4
139.03992	1.6
139.07597	1.4
141.06999	5.1
142.07800	3.9
143.08583	7.3
145.06485	4.1
145.10121	3.1
146.07289	1.7
147.08057	6.4
147.11662	1.7
149.05986	5.0
149.09653	2.8
151.03877	2.4
151.07536	2.5
152.06218	1.8
153.06998	3.3
154.07739	4.0
155.08566	9.6
156.09369	2.1
157.06523	1.6
157.10127	2.8
158.07304	1.3
159.08008	8.3
159.11671	2.9
161.05946	7.1
161.09610	2.6
163.07585	3.1
165.07037	5.6
166.07753	1.4
167.07259	1.6
167.08511	7.0
168.05711	1.2
168.09517	1.6
169.10117	8.8
171.08051	5.0
171.11717	2.6
173.06049	1.4
173.09650	2.7
174.06900	2.0
175.07597	4.3
177.09180	2.9
178.07761	3.3
179.08542	8.4
180.09302	2.6
181.06487	2.8
181.10136	4.5
182.07368	2.6
183.08124	3.7
183.11708	3.1
184.08908	1.3
185.09564	5.9
187.07501	2.2
187.11234	5.6
189.09119	4.3
191.07088	2.0
191.08626	3.3
192.09363	5.5
193.10118	9.8
194.10846	3.4
195.08141	4.2
195.11743	4.8
196.08797	3.9
197.09605	6.6
199.07570	3.1
199.11163	3.1
201.09189	3.0
202.07698	1.9
203.06938	2.4
203.08626	3.0
203.10513	1.8
204.09306	2.2
205.10194	5.0
206.10959	3.8
207.11690	11.9
208.08858	1.8
208.12529	2.5
209.09642	4.7
209.13257	5.7
210.10524	1.5
211.07626	2.0
211.11160	3.1
212.12148	1.4
213.09158	4.1
213.12813	1.7
215.08688	2.5
215.10703	6.4
216.09373	3.3
217.10211	4.2
218.10997	4.0
219.08044	3.3
219.10141	4.5
219.11797	5.3
220.08772	3.4
221.09607	3.6
221.13243	3.8
223.11189	3.6
224.11728	1.4
225.09187	1.8
225.12729	3.2
229.10129	4.2
229.12306	2.3
230.10941	3.3
231.08072	3.1
231.11697	5.1
232.12408	1.8
233.09703	6.2
233.13293	5.6
234.10399	2.6
235.11310	7.5
235.14909	2.3
236.11998	2.3
237.12796	3.8
239.10719	3.0
242.10793	1.6
243.08197	1.5
243.11707	3.6
244.12486	3.6
245.09639	4.3
245.13298	3.9
245.36510	1.3
246.10417	3.3
246.14157	1.6
247.11232	6.2
247.14828	2.5
248.11942	3.5
249.09059	1.7
249.12785	4.2
251.10629	1.8
251.14377	2.2
253.12196	4.6
254.12889	2.4
255.11603	2.9
255.13866	3.8
256.12494	3.5
257.13593	2.9
258.10513	2.8
258.14041	2.8
259.11191	4.1
259.14859	3.0
260.12134	1.5
260.15631	2.4
261.09024	1.7
261.12766	8.9
261.16556	2.4
262.09952	1.8
262.13556	1.6
263.10590	2.6
263.14453	3.2
266.09253	1.7
267.11472	1.4
267.13809	6.5
269.13318	1.3
270.10400	1.3
270.14182	1.4
271.11057	2.0
271.15085	2.7
272.11972	2.1
272.15784	2.0
273.12714	7.5
273.15790	1.6
274.13474	3.4
274.16766	1.2
275.10840	2.8
275.14331	5.2
277.08768	1.7
277.12027	3.0
277.15747	1.9
279.13980	1.5
281.11703	1.3
283.11047	2.4
285.12735	3.9
285.16241	2.6
287.10840	1.4
287.14380	4.2
288.15134	3.8
289.12375	1.6
289.15903	3.5
291.10400	1.5
291.13776	3.2
294.08841	2.3
297.12619	1.5
299.14072	2.1
300.14981	3.0
301.12180	1.6
301.15839	2.7
303.13907	2.4
303.17429	3.1
304.14526	1.9
305.11810	1.6
305.15262	3.0
307.09885	1.4
307.17087	1.7
309.11063	8.3
311.14154	1.9
315.13852	1.7
315.17447	4.4
316.14581	3.8
317.15503	2.4
319.13443	2.2
319.16962	3.0
320.10294	1.7
321.15155	1.9
323.16418	2.5
331.16943	5.0
333.14932	2.6
333.18643	3.0
334.15790	2.7
335.12888	4.1
343.16965	3.7
345.18564	2.5
348.17242	2.2
349.17999	5.0
359.16687	1.6
361.18021	8.1
363.19934	2.0
365.14429	1.6
373.18054	1.7
375.41440	1.3
377.17642	1.9
379.19162	7.3
381.18942	1.4
383.16077	1.5
391.19028	3.0
409.20267	1.4
425.21176	5.0
429.20917	2.9
435.19443	1.8
441.20651	2.1
443.21948	8.4
445.23541	1.7
447.21671	2.3
453.20700	8.9
461.23346	5.3
463.24930	3.0
471.21722	19.0
472.21902	1.6
489.22748	24.5
490.23062	3.1
507.23788	100.0
508.24057	11.2
523.98999	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.5
55.01907	1.4
55.05515	6.7
57.03442	4.2
67.05503	8.5
69.03423	3.7
69.07083	2.1
71.05001	2.3
71.29183	2.0
77.47816	1.1
79.05499	11.6
81.03422	2.2
81.07061	14.0
83.04978	17.5
83.08607	1.8
84.13270	1.4
91.05482	25.1
93.03406	1.6
93.07040	18.5
95.04981	6.6
95.08632	7.5
97.02873	1.9
97.06519	1.2
103.05447	3.1
105.03351	2.1
105.04554	1.6
105.07027	14.4
107.04951	2.2
107.08596	4.6
109.02892	2.1
109.06511	15.6
111.04449	13.1
111.08102	4.2
115.05480	2.3
116.06254	2.7
117.07039	3.8
119.04955	2.9
119.08589	11.2
121.06529	9.1
121.10126	10.7
123.04451	2.3
123.08054	2.3
128.06218	4.0
129.07019	5.0
130.07790	1.4
131.05005	1.3
131.08551	11.5
133.06520	5.4
133.10117	5.3
135.08076	6.1
137.05975	54.2
138.06323	2.2
139.07512	2.4
141.07016	3.0
142.07779	1.6
143.08551	5.1
144.05702	1.8
145.06519	7.0
145.10141	6.5
147.04430	5.3
147.08060	9.2
147.11708	2.6
149.05980	7.3
149.09624	100.0
150.09964	4.3
151.07489	1.6
154.07782	1.6
155.08568	4.8
156.09337	2.4
157.06540	3.4
157.10127	4.4
158.07245	1.6
159.08044	12.8
159.11670	2.7
160.08784	2.3
161.06026	2.2
161.09636	9.3
163.07584	4.3
163.11151	1.7
165.07031	2.8
166.07899	1.9
167.07062	2.3
167.08560	3.3
167.56761	1.5
169.10091	3.2
170.07362	1.6
171.08092	9.2
171.11627	3.5
172.08832	4.4
173.09602	13.0
175.07539	9.1
175.11218	3.7
177.09180	3.9
179.08597	3.5
180.09404	2.4
181.10123	2.7
183.08081	4.0
183.11632	3.1
184.08690	1.8
185.09602	10.6
187.07581	4.7
187.11244	5.3
189.09108	13.5
189.12770	5.8
191.08562	1.6
191.10617	2.4
193.10173	2.3
194.10867	1.5
195.08049	2.8
195.11688	2.5
197.09647	4.8
198.10435	6.4
199.07539	2.9
199.11191	5.6
201.09129	4.8
203.10660	2.2
205.10176	2.4
207.11700	2.9
208.08908	3.1
209.09657	4.0
209.11603	2.1
210.10387	1.9
211.07559	3.5
211.11208	2.8
213.09056	3.8
213.12711	19.0
215.10739	2.4
215.14323	3.0
217.08398	1.7
217.10332	1.7
217.12305	3.6
219.10117	2.1
221.13184	1.5
223.11218	8.9
224.11894	2.2
225.09090	3.1
225.12697	1.6
226.09961	2.4
227.10666	3.7
227.14505	1.6
229.10280	2.0
230.10794	2.0
231.13779	15.8
232.14507	1.5
233.07884	2.1
233.13309	1.9
237.09045	2.3
237.12741	4.7
239.10675	2.3
241.12228	8.0
247.11226	3.8
248.11995	2.2
249.12923	2.3
251.10713	1.6
251.14198	1.7
253.12341	2.2
255.13858	3.2
259.13153	8.3
261.12698	3.5
263.14325	1.7
265.12384	1.6
274.13315	1.4
275.14282	3.8
277.12271	2.9
279.13715	2.2
281.15335	3.1
283.13263	2.4
285.12717	1.9
287.14355	2.6
289.12311	2.1
291.13858	2.9
298.13385	1.6
301.15833	1.8
303.13885	2.1
303.17355	2.1
305.11945	1.4
305.15436	2.2
307.16968	1.4
315.17395	2.3
317.15659	1.7
319.17059	1.8
323.16544	2.0
326.16754	1.6
327.16086	6.7
329.15237	3.2
351.15869	2.3
391.23135	1.4
397.21533	2.5
407.20084	1.7
411.19852	1.7
415.22781	2.3
425.21106	6.5
443.22379	9.3
445.20081	4.4
453.20450	5.8
461.23398	7.4
471.21637	15.0
472.21902	2.5
489.22617	23.6
490.22864	2.4
507.22983	20.0
507.39697	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61932	2.2
51.02381	3.0
53.03944	17.0
55.01860	7.9
55.05508	20.6
57.07067	2.5
65.03938	5.0
67.05503	31.3
69.03422	21.7
69.07053	14.9
69.25972	17.3
70.09538	2.3
71.01359	2.7
71.04991	5.3
79.05489	30.2
81.03397	8.3
81.07054	44.4
83.04979	25.9
83.08600	5.5
85.02896	7.5
85.06558	4.4
91.05481	51.9
93.07040	55.3
93.20505	2.3
95.04966	22.3
95.08610	40.3
97.02871	7.3
97.06531	10.9
97.10181	4.6
99.04439	5.4
100.72767	2.1
103.05464	5.5
105.03345	3.4
105.07026	42.9
107.04933	6.9
107.08578	25.4
109.02887	21.7
109.06519	20.4
109.10150	22.1
111.04439	27.6
111.08071	11.7
115.05457	10.0
116.06196	4.0
117.07001	20.8
119.04934	4.2
119.08582	34.4
121.06503	31.3
121.10138	14.5
122.07314	2.9
123.04445	10.9
123.08071	13.3
123.11694	7.2
125.06000	6.7
125.09612	8.5
127.03883	3.9
128.06203	23.9
129.06987	23.4
130.07787	5.6
131.04945	4.2
131.08571	23.7
133.06494	12.0
133.10118	17.4
135.04408	5.8
135.08069	22.0
135.11644	5.3
137.05980	33.8
137.09618	16.4
139.07471	5.3
141.06958	13.9
142.07787	17.9
143.08557	28.6
144.09264	4.2
144.42464	2.4
145.06471	12.7
145.10127	17.7
146.07304	4.9
147.04384	4.7
147.08044	24.2
147.11647	8.6
149.05952	6.9
149.09647	13.4
149.13281	3.0
151.03996	3.2
151.07571	12.6
152.06248	4.9
153.05557	5.2
153.06993	7.4
154.07785	3.7
155.08575	27.1
156.09311	8.6
157.06485	7.0
157.10120	27.1
158.07260	3.6
159.08057	37.3
159.11697	13.2
161.06009	15.3
161.09630	24.7
161.13144	2.9
163.07545	10.4
163.11194	5.1
165.05722	2.5
165.07056	11.4
165.09108	74.8
166.07713	6.8
167.07129	3.7
167.08511	15.8
167.10655	3.3
168.09291	3.6
169.06467	11.1
169.10107	15.2
170.07175	3.4
170.10698	2.6
171.08049	30.4
171.11656	7.9
171.39055	2.4
172.08870	4.4
173.05983	5.5
173.09596	21.9
174.06630	2.9
174.10358	2.5
175.07549	23.0
175.11125	8.9
177.09074	15.6
178.07765	8.8
179.08543	27.5
179.10165	3.0
180.09319	10.1
181.05008	3.4
181.06438	5.2
181.10095	19.7
182.10873	2.9
183.08028	11.9
183.11716	8.7
184.08839	4.3
184.12209	2.6
185.09648	26.4
187.07559	12.9
187.11185	10.1
189.09093	20.6
190.07814	4.1
190.09698	3.5
191.07004	2.8
191.08553	7.3
191.10645	6.9
192.09314	10.4
193.08575	4.3
193.10088	17.6
194.10854	6.9
195.06499	6.8
195.08043	12.3
195.11681	17.3
196.08777	7.2
197.05940	5.2
197.09561	16.5
197.13226	7.7
198.10440	4.1
199.07500	15.4
199.11180	8.3
199.14870	3.4
201.09097	21.6
203.08646	5.1
203.10643	10.8
204.09274	5.6
205.10094	12.6
205.12212	6.7
206.10818	8.4
207.08102	4.9
207.11774	19.9
207.13622	4.7
208.08784	5.8
208.12395	6.5
209.07947	3.0
209.09691	16.3
209.13289	11.1
210.10315	7.3
211.07573	8.1
211.11188	17.5
211.14795	4.4
212.11780	2.8
213.09160	14.0
213.12712	7.2
215.10664	9.9
216.09323	8.3
216.11237	3.1
217.08348	5.2
217.10097	9.6
217.12025	3.5
217.19513	3.3
218.10875	3.2
219.08105	4.3
219.09837	4.4
219.11836	11.0
220.08865	5.4
220.12390	4.6
221.09589	8.1
221.13280	10.9
222.10425	9.9
222.13866	2.6
223.07579	5.7
223.09244	2.8
223.11293	23.2
223.14799	3.1
224.11800	4.0
225.09088	6.8
225.12753	20.1
226.13290	3.5
227.10616	7.6
227.14188	5.9
229.10100	9.4
229.12160	5.3
230.10867	8.7
231.08064	3.1
231.09836	4.6
231.11700	7.8
232.12381	5.4
233.09592	10.9
233.13213	9.0
234.10300	4.8
235.11284	16.3
235.14758	3.9
236.11772	3.2
237.09085	4.3
237.12956	12.1
238.13211	4.3
239.10631	8.0
239.14241	5.0
241.08406	3.0
241.12256	13.1
242.10767	3.8
243.11705	8.5
244.12500	7.8
245.09534	3.0
245.13139	10.1
246.10260	5.7
246.14041	3.1
247.11203	15.1
247.14803	4.9
248.11922	5.0
249.09096	5.8
249.12672	9.1
250.09787	3.1
251.10551	9.5
251.14365	5.2
253.09962	3.3
253.12381	11.6
254.10678	5.8
255.13869	5.7
256.12387	4.3
257.09454	5.6
257.11600	3.3
257.13504	3.4
258.10519	4.5
258.13861	6.9
259.11050	9.4
259.14832	7.1
260.11969	7.0
261.08893	3.8
261.12723	12.6
261.16400	3.6
262.13507	4.3
263.10657	5.4
263.14447	6.3
265.12222	10.8
265.15292	2.5
267.13776	6.8
269.11761	3.9
269.15588	3.1
270.13892	6.3
271.11029	5.5
271.14810	4.7
272.11902	7.2
272.15475	3.4
273.12656	10.7
273.16309	5.2
274.09848	2.9
274.13239	3.8
275.10544	7.5
275.14230	9.6
277.12216	6.3
277.15717	7.1
279.13779	6.5
281.11578	20.3
283.13211	11.0
284.11984	3.3
285.12619	7.3
285.16040	4.1
286.13513	5.9
287.14166	12.1
287.17349	3.4
288.14917	5.9
289.12146	9.2
289.15686	8.0
290.12784	4.6
291.10300	5.3
291.13788	7.9
293.12262	3.2
293.15601	3.5
296.11887	4.2
297.12250	2.6
298.13416	3.4
299.10632	3.5
299.14227	5.2
301.15717	6.8
303.13730	7.3
304.14639	3.9
305.12003	3.0
305.15314	8.7
307.13373	4.5
309.15982	3.0
310.13385	3.5
311.14124	7.7
312.14990	5.8
313.12085	5.1
313.15646	5.9
314.12967	10.6
314.16299	2.7
315.13736	8.1
315.17197	5.1
317.15292	5.3
319.16833	5.0
323.13022	3.6
327.16376	3.2
329.15292	21.7
330.15854	3.6
331.16788	8.6
332.14035	2.8
333.14755	6.7
333.18195	5.9
341.15247	5.5
343.16400	5.1
345.18454	4.9
347.12485	4.0
347.16428	55.2
348.16693	5.1
349.18063	3.4
351.16107	3.2
357.14795	5.8
361.17926	9.5
364.16644	3.8
371.16287	3.1
374.16629	2.9
375.15988	11.2
377.17572	11.8
379.19128	13.4
383.19949	8.1
391.18472	2.6
393.16940	55.2
397.21487	6.5
401.21103	3.7
407.19647	8.6
409.21280	3.8
411.19333	5.3
425.21021	22.7
427.22849	3.7
429.20581	7.3
435.19476	5.2
443.22250	28.8
444.22479	3.1
445.23587	6.2
453.20590	17.0
453.25851	3.5
454.20886	2.8
455.21896	9.2
459.21359	8.2
461.18359	2.7
461.23282	30.8
462.23215	3.3
463.24557	4.0
471.15576	3.0
471.21689	44.4
471.27460	5.1
472.21518	4.5
476.21533	4.7
477.22696	3.8
479.24542	3.2
489.22650	72.3
489.28647	6.7
490.22763	7.0
507.23547	100.0
507.30734	11.7
508.23929	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.238
Annotation	8alpha-Hypoglabroyloxyjaquinelin
Peak:m/z	Relative Intensity
53.03949	4.2
55.01865	6.4
55.05502	8.5
65.03945	2.5
67.05504	15.8
69.03352	4.4
69.03656	19.9
69.07077	3.7
69.54964	2.2
71.04974	4.1
77.74586	2.2
79.05491	17.3
81.03445	2.1
81.07042	15.1
83.04979	19.2
91.05482	33.6
93.07046	24.9
95.04964	14.9
95.08603	20.3
97.02869	6.6
97.06551	5.5
97.95175	2.2
98.23376	4.4
103.05443	2.7
103.76437	2.2
105.07035	29.8
107.04911	5.1
107.08605	9.5
107.11915	2.2
109.02867	3.1
109.06533	10.3
109.10216	3.5
111.04490	13.4
111.08054	8.1
115.05459	9.0
117.07007	14.8
119.04993	2.7
119.08584	16.1
121.06507	32.9
121.10126	6.2
122.07294	35.4
123.04388	3.3
123.08068	59.1
125.06024	3.0
128.06238	10.9
129.07022	14.9
131.04938	2.3
131.08588	20.4
133.06514	10.9
133.10133	9.4
135.04485	2.8
135.08037	16.6
137.06015	14.8
139.07555	5.1
141.07021	12.6
142.07765	14.2
142.52420	2.3
143.08559	25.6
144.05800	2.2
145.06511	12.2
145.10138	15.5
146.07210	2.6
147.04427	3.5
147.08069	15.2
147.11691	5.0
149.05972	10.0
149.09618	7.0
151.07600	3.2
152.06226	3.8
153.07002	7.5
155.08519	15.7
157.06499	6.9
157.10100	13.0
158.07198	3.6
159.04399	5.9
159.08044	20.4
159.11665	5.0
161.05971	7.8
161.09605	17.4
163.04004	2.3
163.07527	5.7
163.11067	3.6
165.05745	2.8
165.06964	12.4
166.07784	4.2
167.07162	3.3
167.08562	11.1
168.09384	4.4
169.06447	5.6
169.08893	2.4
169.10124	13.2
170.07281	3.3
171.08044	20.4
171.11707	6.5
172.08853	4.3
173.06038	3.7
173.09622	20.1
175.07481	13.7
175.11169	6.2
177.09157	2.9
178.07724	5.3
179.08545	9.4
180.09338	9.6
181.06566	3.6
181.10118	10.7
183.08104	9.6
183.11729	6.8
184.08934	2.5
185.06007	4.6
185.09630	17.2
185.13164	3.2
187.07561	10.4
187.11201	5.8
189.09079	17.4
190.07672	2.7
190.09712	2.8
191.08650	5.0
191.10661	5.8
192.09395	7.3
193.10156	10.4
194.07254	2.3
194.10835	5.0
195.08061	9.9
195.11690	15.7
196.08844	3.7
196.12474	3.0
197.05998	2.8
197.09602	9.0
197.13255	5.7
199.07578	17.4
199.11215	8.5
201.09085	20.7
201.12860	3.0
203.10629	5.8
205.10161	7.0
206.10945	4.3
207.08057	4.2
207.11717	10.4
207.13431	2.5
208.08823	3.3
209.09654	9.9
209.13277	5.6
210.10381	4.6
211.07562	10.3
211.11142	13.1
212.11722	3.0
213.09161	7.9
213.12706	5.8
215.08748	2.4
215.10670	6.0
217.08377	4.3
217.10213	5.2
218.10861	3.6
219.08075	5.1
219.11729	6.4
221.09689	5.8
221.13237	3.2
222.10449	6.5
223.07664	3.8
223.11174	17.3
224.08334	3.2
224.11937	3.0
225.09087	5.0
225.12735	12.6
227.10678	5.6
227.14418	2.7
229.12482	3.4
230.11023	3.6
231.09918	4.4
231.11948	3.5
233.09621	5.3
233.13304	5.1
234.10504	4.6
235.07523	3.9
235.11166	9.8
235.14816	2.8
236.11827	4.8
237.09018	7.7
237.12730	12.2
238.13506	2.6
239.10625	14.4
239.14429	2.5
240.11444	2.6
241.12236	19.4
244.12471	3.8
245.09602	2.7
245.13297	6.1
246.10403	3.9
247.11172	6.9
247.14825	3.3
248.11992	3.0
249.09056	5.7
249.12852	4.0
251.06760	2.5
251.10741	7.3
251.14296	2.7
253.12343	17.0
255.13853	7.8
256.12460	4.1
257.13443	3.9
258.10394	3.0
258.14163	2.8
259.11127	4.6
259.14957	3.8
261.09155	3.8
261.12863	5.7
263.10641	6.2
263.14359	2.9
265.12158	6.9
267.14017	4.2
271.10919	3.0
271.13440	3.8
273.12653	3.1
275.14313	4.9
277.12207	4.9
277.15671	3.3
279.10251	2.9
279.13889	2.6
281.11847	5.3
285.12720	4.1
286.13443	2.8
287.10672	4.2
287.14227	3.1
288.11462	3.0
289.12320	7.1
289.15924	3.3
291.10162	3.2
291.13489	3.3
301.12210	6.0
301.15628	3.5
303.13892	6.3
305.11972	3.7
305.15457	5.0
312.15182	3.1
313.12115	2.6
313.15833	3.7
315.13904	4.1
317.15289	2.8
319.13376	2.8
321.15009	5.6
323.16663	3.3
324.15021	3.1
329.15302	7.4
339.13852	3.1
343.16931	3.3
344.17889	2.9
347.16348	5.6
349.14157	3.2
361.18036	4.8
367.15457	15.2
375.15906	4.4
383.20135	4.0
389.17703	5.7
393.16907	14.1
397.21539	4.2
407.19284	4.4
411.19580	5.5
415.22699	5.6
425.21066	18.6
426.21292	3.0
427.22690	3.0
429.20477	4.5
435.19629	5.5
443.22217	36.3
453.20532	18.6
454.20728	2.8
461.23132	20.8
471.21628	62.5
472.21945	4.7
489.22702	100.0
490.22714	12.4
507.23434	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	2.8
53.03951	16.7
55.01878	4.2
55.05509	13.6
63.09361	2.4
65.03960	4.3
67.05500	22.4
69.03432	10.6
69.07070	4.9
69.53331	9.1
69.53753	5.9
79.05488	16.3
81.03419	4.3
81.07068	17.6
81.17094	2.1
83.04992	27.6
83.08652	3.0
91.05485	39.5
93.07046	34.3
95.04975	20.9
95.08621	32.3
96.05326	4.5
97.06544	4.9
98.23298	3.7
103.05461	6.0
105.03397	79.2
105.04540	5.9
105.07036	49.1
106.03716	18.0
107.04065	3.8
107.04961	3.8
107.08599	18.4
109.02861	3.1
109.06537	9.1
109.10175	6.6
111.04449	17.5
111.08097	11.3
112.95650	2.5
115.05478	7.1
116.19559	2.4
117.06987	16.5
119.04944	9.1
119.08591	65.2
121.02964	2.8
121.06533	14.2
121.10172	10.7
122.15334	2.3
123.04472	3.6
123.08085	13.5
128.06238	8.7
129.07024	16.2
130.07799	4.7
131.04938	2.7
131.08574	28.4
133.06491	23.3
133.10143	30.5
134.07338	2.8
135.04460	3.6
135.08049	10.3
135.11729	4.1
137.05957	4.4
137.09622	2.6
139.03967	12.4
139.07565	9.4
141.07036	8.9
142.07742	14.7
143.08551	24.1
144.09297	4.9
145.02815	2.7
145.06511	9.2
145.10098	21.4
147.04362	4.4
147.08063	39.3
147.11676	19.2
149.09627	9.1
153.05486	27.2
153.06996	7.7
154.07719	3.3
155.08551	12.0
156.09370	11.0
157.06509	5.3
157.10132	32.5
159.08049	10.8
159.11662	16.2
161.09644	21.0
161.13263	5.6
163.07513	5.4
165.05641	2.4
165.07066	8.3
166.07744	3.7
167.07077	11.7
167.08450	4.9
168.09334	4.1
169.06563	2.5
169.10120	17.6
170.10896	3.7
171.08072	8.2
171.11658	19.5
172.08876	4.8
173.05931	3.1
173.09625	15.9
173.13277	7.6
175.07544	6.8
175.11203	16.1
177.05464	3.4
177.09177	4.8
178.07806	2.8
179.07187	2.8
179.08606	8.1
180.09338	3.4
181.06583	3.0
181.08722	2.9
181.10117	13.2
182.07268	6.0
182.10925	5.1
183.08130	4.3
183.11668	16.6
185.09575	12.8
185.13246	7.5
186.10393	3.7
187.07568	5.3
187.11119	17.8
189.05511	6.8
189.09128	9.6
189.12756	6.6
191.08635	3.9
191.10638	3.7
192.09315	5.3
193.08568	6.1
193.10179	8.9
194.10896	6.3
195.08112	5.2
195.11658	14.6
197.09630	6.3
197.13274	15.2
199.07574	8.1
199.11172	19.5
199.14890	7.2
201.09177	3.5
201.12749	14.3
203.06987	3.5
203.10715	11.5
203.14284	3.8
204.09332	3.6
205.08612	18.8
205.10254	5.7
205.12291	3.4
206.10910	5.3
207.10158	10.7
207.11900	13.4
209.09674	12.2
209.13283	14.8
210.10405	4.9
211.07689	3.3
211.11246	8.9
211.14900	7.8
213.09180	6.7
213.12805	10.4
214.13533	10.2
215.14384	6.5
217.10255	4.8
217.12238	3.3
219.10072	4.6
219.11884	6.0
221.09651	5.0
221.11555	5.7
221.13350	8.5
222.10329	4.4
223.11206	9.4
223.14774	5.7
224.11937	7.0
225.09108	9.6
225.12791	9.0
227.06979	11.7
227.10565	4.2
227.14363	8.2
231.10193	11.5
233.09825	5.1
233.13469	4.1
234.10295	3.0
235.11288	6.1
235.14902	7.1
236.11778	3.5
237.12817	11.0
238.06300	3.6
238.13376	2.7
239.14319	18.2
241.12238	4.6
242.09326	5.9
245.09526	3.9
245.11765	10.7
245.15405	5.6
247.14891	4.7
249.11070	6.5
249.16493	8.0
250.13367	3.3
251.14397	3.3
252.07809	5.8
253.08705	9.3
253.12201	6.3
253.15942	6.4
255.06696	5.1
259.14801	3.3
261.12973	4.0
262.13486	4.2
263.12927	10.4
265.12366	6.2
267.10257	10.1
267.17474	6.7
267.87415	2.7
270.08838	12.2
273.12680	3.0
273.16342	3.9
275.10608	2.8
275.14145	3.4
277.15863	8.7
281.08044	23.7
282.08801	4.5
283.13614	3.8
285.11279	10.3
289.15924	3.4
293.15445	3.8
295.13321	10.2
295.16931	17.7
298.08441	3.7
303.04871	4.1
305.18970	2.9
306.08817	3.9
307.09390	3.4
307.13306	3.4
313.10681	36.6
313.17975	53.2
317.19037	3.4
319.13272	3.6
322.11566	3.4
335.16382	3.8
345.13367	37.1
349.10809	6.9
349.17920	5.9
350.11011	18.8
353.13779	4.1
361.18036	4.6
375.19608	7.5
379.18777	3.3
385.16467	11.0
390.21768	3.3
393.20663	4.5
411.23499	5.7
419.25598	3.4
421.23578	3.5
429.24399	14.9
439.22760	10.6
447.25714	12.3
449.22897	4.6
457.23795	41.4
458.24319	4.6
461.26889	4.0
471.25159	11.1
475.18570	3.9
475.24847	53.8
476.25220	4.3
489.26385	100.0
490.26782	7.1
491.24301	4.5
493.25720	8.6
507.27798	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.6
55.01868	3.7
55.05510	11.1
59.27344	2.3
65.03953	3.7
67.05504	29.1
69.03430	5.6
69.07069	10.6
69.23542	19.5
79.05502	19.0
81.03400	2.8
81.07056	25.7
83.04987	19.2
91.05481	35.2
93.07042	36.1
95.04974	15.1
95.08604	52.9
97.06564	3.7
103.05496	6.6
105.03407	13.2
105.07027	58.8
107.08598	22.2
109.06499	12.2
109.10171	8.5
110.58989	2.5
111.04427	6.1
111.08098	9.4
115.05478	3.9
116.06227	3.9
117.07024	20.4
119.04977	4.0
119.08578	45.0
121.06506	10.8
121.09229	2.3
121.10142	11.2
123.08081	13.7
123.11718	2.7
128.06268	8.2
129.07008	15.5
130.07823	5.5
131.04854	2.8
131.08562	23.9
133.06497	11.5
133.10132	25.1
135.08078	8.6
135.11674	6.0
137.06039	2.6
139.03909	8.8
139.07578	2.9
141.07028	9.9
141.09076	3.6
142.07802	16.8
143.08542	32.6
144.09389	6.1
145.06490	9.5
145.10117	58.6
146.07304	3.2
147.08041	13.9
147.11671	8.3
149.06010	9.9
149.09668	5.7
151.07387	2.8
153.05489	10.6
153.06882	4.9
154.07739	4.1
155.08560	25.5
156.09348	8.5
157.06532	3.5
157.10118	61.1
159.08083	11.1
159.11667	32.3
161.09627	14.3
163.07574	8.8
165.07011	9.4
166.07819	6.1
167.07098	5.6
167.08580	12.3
168.09381	4.9
169.10098	21.0
170.10866	5.6
171.08052	13.2
171.11681	17.5
173.09598	13.6
173.13269	6.1
175.11221	8.3
177.09067	2.9
178.07774	4.4
179.07188	3.9
179.08521	13.1
180.09335	9.9
181.08598	11.1
181.10152	19.7
182.10861	4.2
183.08105	6.7
183.11652	18.5
185.09654	7.9
185.13295	10.6
187.07571	4.2
187.11185	9.5
189.09119	4.8
189.12750	6.2
191.07011	3.9
191.08604	6.0
191.10580	2.5
192.09346	9.4
193.08679	2.7
193.10159	15.3
194.10913	7.8
195.08035	5.9
195.11705	29.0
196.08841	6.2
196.12447	4.9
197.09676	8.2
197.13191	13.2
199.07576	3.8
199.11183	4.8
199.14850	3.4
201.12781	5.1
203.08557	8.2
203.10455	2.9
204.09296	5.4
205.08553	5.4
205.10199	14.0
205.12076	3.9
206.10950	7.6
207.08083	2.8
207.11707	22.9
208.08910	5.1
208.12520	4.7
209.06102	3.1
209.09628	10.8
209.13252	18.3
210.14046	3.9
211.11217	8.9
211.14778	4.7
213.09071	3.8
213.12672	3.8
213.16418	3.3
215.08711	4.2
215.14391	2.9
217.10208	7.5
218.10944	5.2
219.08163	4.9
219.11852	17.8
220.08926	4.2
220.12468	4.3
221.09671	10.5
221.13344	15.2
222.10434	5.7
222.13939	6.1
223.11217	16.4
223.14868	8.1
224.11977	4.5
225.09070	3.1
225.12732	13.0
225.16463	2.8
227.14314	6.1
229.10283	4.0
231.09831	3.3
231.11751	10.7
232.09004	3.5
232.12454	9.2
233.09642	10.3
233.13225	12.4
234.10378	6.0
235.07559	3.1
235.11205	8.3
235.14812	6.8
236.12001	4.4
237.09109	4.2
237.12802	19.8
237.16373	12.6
238.10002	3.8
239.10664	4.4
239.14311	7.9
239.17986	4.0
243.10066	3.7
244.12373	2.7
245.09529	5.0
245.13213	7.9
246.14003	8.2
247.11299	12.5
247.14815	16.0
248.12007	5.0
248.15402	2.9
249.09081	3.2
249.12782	9.1
249.16435	6.8
251.10719	9.3
251.14478	5.4
251.17931	8.0
252.14842	3.0
253.08522	4.3
253.12306	7.5
253.15865	4.8
258.14172	3.2
259.14902	5.4
260.12103	5.0
261.12875	5.4
261.16446	16.0
263.10605	6.4
263.14420	5.8
263.18057	3.7
264.11343	3.2
265.08823	4.0
265.12265	9.7
265.15921	10.0
267.13962	4.5
267.17493	3.7
269.11646	4.3
271.14981	3.5
272.15472	4.5
274.13602	3.6
275.10687	7.6
275.14233	7.6
277.15860	9.2
279.10294	5.7
279.13879	8.6
279.17471	16.3
280.17993	3.0
281.11676	4.2
281.18939	5.1
283.13278	5.7
287.18091	3.1
289.09082	2.4
289.12750	2.5
289.15891	13.4
290.16507	3.5
291.10199	4.3
291.14014	5.3
291.17477	7.0
293.11874	6.8
293.15417	7.8
295.13364	10.0
295.16711	3.2
297.14987	2.8
299.14355	4.7
301.15634	3.2
305.11691	4.0
305.15295	3.8
305.18927	4.3
306.12634	2.7
307.13300	12.9
307.16940	20.5
308.17755	3.4
309.14951	5.2
309.18533	9.1
311.16425	3.7
313.18066	9.0
317.15292	13.9
319.17029	5.4
321.14877	11.6
321.18442	5.6
323.16321	3.9
325.14346	11.1
331.16727	3.4
333.14719	7.2
333.18311	3.4
334.15549	4.0
335.16394	18.4
336.17310	6.0
337.18170	3.3
339.19418	7.0
347.16367	3.9
349.17950	53.5
350.18484	6.0
351.19632	11.8
353.17557	5.3
361.18063	7.2
367.18991	33.3
368.19836	9.3
373.25116	3.3
375.19409	5.6
383.23462	4.3
390.21783	3.7
401.24954	7.4
411.23309	3.6
419.26334	5.6
429.24356	24.7
439.22614	8.3
443.26007	3.2
447.25708	24.7
449.23392	3.5
457.17648	4.1
457.23648	31.9
461.26886	7.9
465.22638	11.6
471.25354	11.7
475.24805	44.6
476.24954	3.3
479.28192	13.3
489.26337	100.0
490.26517	8.4
493.26022	3.5
507.15793	7.7
507.27371	74.5
508.27679	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	2.8
53.03951	16.7
55.01878	4.2
55.05509	13.6
63.09361	2.4
65.03960	4.3
67.05500	22.4
69.03432	10.6
69.07070	4.9
69.53331	9.1
69.53753	5.9
79.05488	16.3
81.03419	4.3
81.07068	17.6
81.17094	2.1
83.04992	27.6
83.08652	3.0
91.05485	39.5
93.07046	34.3
95.04975	20.9
95.08621	32.3
96.05326	4.5
97.06544	4.9
98.23298	3.7
103.05461	6.0
105.03397	79.2
105.04540	5.9
105.07036	49.1
106.03716	18.0
107.04065	3.8
107.04961	3.8
107.08599	18.4
109.02861	3.1
109.06537	9.1
109.10175	6.6
111.04449	17.5
111.08097	11.3
112.95650	2.5
115.05478	7.1
116.19559	2.4
117.06987	16.5
119.04944	9.1
119.08591	65.2
121.02964	2.8
121.06533	14.2
121.10172	10.7
122.15334	2.3
123.04472	3.6
123.08085	13.5
128.06238	8.7
129.07024	16.2
130.07799	4.7
131.04938	2.7
131.08574	28.4
133.06491	23.3
133.10143	30.5
134.07338	2.8
135.04460	3.6
135.08049	10.3
135.11729	4.1
137.05957	4.4
137.09622	2.6
139.03967	12.4
139.07565	9.4
141.07036	8.9
142.07742	14.7
143.08551	24.1
144.09297	4.9
145.02815	2.7
145.06511	9.2
145.10098	21.4
147.04362	4.4
147.08063	39.3
147.11676	19.2
149.09627	9.1
153.05486	27.2
153.06996	7.7
154.07719	3.3
155.08551	12.0
156.09370	11.0
157.06509	5.3
157.10132	32.5
159.08049	10.8
159.11662	16.2
161.09644	21.0
161.13263	5.6
163.07513	5.4
165.05641	2.4
165.07066	8.3
166.07744	3.7
167.07077	11.7
167.08450	4.9
168.09334	4.1
169.06563	2.5
169.10120	17.6
170.10896	3.7
171.08072	8.2
171.11658	19.5
172.08876	4.8
173.05931	3.1
173.09625	15.9
173.13277	7.6
175.07544	6.8
175.11203	16.1
177.05464	3.4
177.09177	4.8
178.07806	2.8
179.07187	2.8
179.08606	8.1
180.09338	3.4
181.06583	3.0
181.08722	2.9
181.10117	13.2
182.07268	6.0
182.10925	5.1
183.08130	4.3
183.11668	16.6
185.09575	12.8
185.13246	7.5
186.10393	3.7
187.07568	5.3
187.11119	17.8
189.05511	6.8
189.09128	9.6
189.12756	6.6
191.08635	3.9
191.10638	3.7
192.09315	5.3
193.08568	6.1
193.10179	8.9
194.10896	6.3
195.08112	5.2
195.11658	14.6
197.09630	6.3
197.13274	15.2
199.07574	8.1
199.11172	19.5
199.14890	7.2
201.09177	3.5
201.12749	14.3
203.06987	3.5
203.10715	11.5
203.14284	3.8
204.09332	3.6
205.08612	18.8
205.10254	5.7
205.12291	3.4
206.10910	5.3
207.10158	10.7
207.11900	13.4
209.09674	12.2
209.13283	14.8
210.10405	4.9
211.07689	3.3
211.11246	8.9
211.14900	7.8
213.09180	6.7
213.12805	10.4
214.13533	10.2
215.14384	6.5
217.10255	4.8
217.12238	3.3
219.10072	4.6
219.11884	6.0
221.09651	5.0
221.11555	5.7
221.13350	8.5
222.10329	4.4
223.11206	9.4
223.14774	5.7
224.11937	7.0
225.09108	9.6
225.12791	9.0
227.06979	11.7
227.10565	4.2
227.14363	8.2
231.10193	11.5
233.09825	5.1
233.13469	4.1
234.10295	3.0
235.11288	6.1
235.14902	7.1
236.11778	3.5
237.12817	11.0
238.06300	3.6
238.13376	2.7
239.14319	18.2
241.12238	4.6
242.09326	5.9
245.09526	3.9
245.11765	10.7
245.15405	5.6
247.14891	4.7
249.11070	6.5
249.16493	8.0
250.13367	3.3
251.14397	3.3
252.07809	5.8
253.08705	9.3
253.12201	6.3
253.15942	6.4
255.06696	5.1
259.14801	3.3
261.12973	4.0
262.13486	4.2
263.12927	10.4
265.12366	6.2
267.10257	10.1
267.17474	6.7
267.87415	2.7
270.08838	12.2
273.12680	3.0
273.16342	3.9
275.10608	2.8
275.14145	3.4
277.15863	8.7
281.08044	23.7
282.08801	4.5
283.13614	3.8
285.11279	10.3
289.15924	3.4
293.15445	3.8
295.13321	10.2
295.16931	17.7
298.08441	3.7
303.04871	4.1
305.18970	2.9
306.08817	3.9
307.09390	3.4
307.13306	3.4
313.10681	36.6
313.17975	53.2
317.19037	3.4
319.13272	3.6
322.11566	3.4
335.16382	3.8
345.13367	37.1
349.10809	6.9
349.17920	5.9
350.11011	18.8
353.13779	4.1
361.18036	4.6
375.19608	7.5
379.18777	3.3
385.16467	11.0
390.21768	3.3
393.20663	4.5
411.23499	5.7
419.25598	3.4
421.23578	3.5
429.24399	14.9
439.22760	10.6
447.25714	12.3
449.22897	4.6
457.23795	41.4
458.24319	4.6
461.26889	4.0
471.25159	11.1
475.18570	3.9
475.24847	53.8
476.25220	4.3
489.26385	100.0
490.26782	7.1
491.24301	4.5
493.25720	8.6
507.27798	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.6
55.05516	7.2
56.09679	5.1
57.03443	6.3
58.34471	4.5
61.02913	5.6
69.03428	13.3
69.07053	6.9
69.24945	42.9
73.02929	13.6
79.05446	6.3
81.07050	16.5
85.02908	23.8
85.77498	5.7
91.05477	10.3
93.07047	19.6
94.05227	5.3
95.08607	32.4
97.02886	17.0
99.08109	17.1
105.07049	8.7
107.08601	23.9
109.10168	10.2
111.08100	7.3
113.30093	5.5
117.07020	7.8
119.08581	13.8
121.10138	49.6
127.03917	6.7
133.04909	9.5
135.08058	6.4
135.11713	8.4
137.05963	14.5
137.13297	6.4
145.04932	8.6
165.09093	6.2
177.16380	100.0
195.17447	21.4
205.08585	5.4
213.18517	33.9
225.33488	5.4
228.32069	6.2
236.17166	6.1
292.17914	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2802
Annotation	Myrsinionoside E
Peak:m/z	Relative Intensity
55.01867	5.6
55.05516	7.2
56.09679	5.1
57.03443	6.3
58.34471	4.5
61.02913	5.6
69.03428	13.3
69.07053	6.9
69.24945	42.9
73.02929	13.6
79.05446	6.3
81.07050	16.5
85.02908	23.8
85.77498	5.7
91.05477	10.3
93.07047	19.6
94.05227	5.3
95.08607	32.4
97.02886	17.0
99.08109	17.1
105.07049	8.7
107.08601	23.9
109.10168	10.2
111.08100	7.3
113.30093	5.5
117.07020	7.8
119.08581	13.8
121.10138	49.6
127.03917	6.7
133.04909	9.5
135.08058	6.4
135.11713	8.4
137.05963	14.5
137.13297	6.4
145.04932	8.6
165.09093	6.2
177.16380	100.0
195.17447	21.4
205.08585	5.4
213.18517	33.9
225.33488	5.4
228.32069	6.2
236.17166	6.1
292.17914	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2953
Annotation	Mucronine A
Peak:m/z	Relative Intensity
53.03951	1.9
55.01871	1.3
55.05513	18.3
57.07079	2.1
59.05000	1.6
63.78496	1.0
65.03927	1.3
67.05504	9.8
68.99795	1.0
69.03431	3.0
69.07068	14.9
70.06592	3.4
71.04998	1.3
71.31669	1.7
74.81050	1.1
76.80222	0.8
76.93816	1.0
79.05496	5.1
79.69807	0.9
81.07059	12.8
83.01344	1.7
83.04987	3.2
83.08614	3.8
83.17026	0.9
85.06557	1.4
86.09720	4.6
91.05515	3.0
93.07045	7.0
94.67826	1.0
95.01334	1.9
95.04961	2.3
95.08612	7.7
97.06544	2.6
97.10164	15.8
99.00809	5.4
99.04462	2.9
100.07639	3.2
100.11261	6.9
105.03368	1.6
105.07034	4.3
107.08605	4.7
109.06544	2.0
109.10171	13.8
110.70586	1.0
111.04445	5.7
111.08087	1.2
112.07635	1.7
113.02417	1.5
115.05479	1.4
117.06988	1.2
119.08596	3.1
121.06506	1.9
121.10162	3.0
122.03560	1.0
123.04458	1.4
123.08128	1.1
123.11730	1.9
125.05981	1.5
125.09647	2.0
128.07076	2.2
131.03419	0.9
131.04890	1.3
131.08560	3.3
132.68362	1.0
133.06508	2.4
133.10152	3.9
135.04454	1.6
135.08029	1.5
135.11711	2.5
137.05981	9.3
137.09644	1.9
139.03923	1.4
139.07512	1.8
139.11224	1.6
141.07050	1.1
142.07867	1.0
143.04994	1.4
143.08563	1.6
145.10162	3.6
147.11710	1.9
149.02402	1.7
149.05969	1.7
149.09677	1.4
151.03903	2.2
151.07568	5.3
153.05484	3.3
154.74550	0.9
155.07166	1.0
155.08582	2.0
157.06496	1.7
159.46510	1.1
161.05980	4.8
163.03938	2.1
163.07571	2.4
165.09129	3.0
168.13866	13.4
169.05058	1.1
169.10081	1.4
171.07991	1.6
171.11661	1.4
173.05992	1.5
175.07507	5.7
177.05519	3.4
177.09167	4.4
179.08633	1.4
179.10719	1.4
181.04956	11.4
182.15363	4.6
183.06551	4.0
183.08023	1.0
189.09090	7.0
191.07053	2.1
191.10725	2.3
195.06526	26.8
196.13338	12.6
199.14880	1.2
201.09210	1.1
203.10744	2.9
205.08591	1.1
207.06508	1.6
209.08070	13.0
209.09854	1.4
209.13469	1.2
209.16548	1.1
210.14987	5.0
217.12300	1.1
219.08223	1.0
219.10216	2.8
221.08070	5.7
223.09639	16.1
235.09708	3.7
237.11179	8.3
243.09915	0.9
249.11119	5.8
251.12805	1.9
255.13742	1.1
259.89166	0.9
289.14432	1.6
291.15955	4.3
293.04272	1.0
294.25430	1.0
295.23828	3.5
303.15906	1.8
305.17471	11.3
307.19080	3.0
309.15103	1.0
312.26349	7.0
315.15973	2.3
317.17471	1.7
319.18973	4.7
333.17169	5.4
337.21515	2.0
403.12216	1.1
422.30103	4.3
443.27670	1.4
453.26450	1.6
471.27362	3.3
489.17941	1.3
489.28555	27.9
489.36691	1.4
489.38257	2.1
490.28534	1.9
507.29587	100.0
507.38831	9.8
508.29980	9.6
508.37158	1.3
508.38892	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3083
Annotation	Stellettin C
Peak:m/z	Relative Intensity
55.05509	0.5
57.03437	0.5
57.07071	1.7
60.51522	0.2
67.05497	0.9
68.14838	0.2
69.07052	0.5
70.19760	0.8
71.08621	0.9
79.05509	0.3
81.07063	0.7
83.08611	0.4
85.10177	0.4
93.07023	0.5
95.08617	0.6
97.10162	0.2
105.03391	1.7
105.07030	0.4
106.03730	0.6
107.08577	0.4
109.10152	0.7
119.08546	0.3
121.10154	0.3
127.81730	0.2
157.83243	0.2
160.90384	0.3
176.99271	0.3
195.00304	9.0
234.45621	0.3
268.58203	0.2
295.13068	0.2
313.27344	2.4
383.55069	0.2
393.24045	1.1
434.28110	1.0
507.30817	100.0
508.31122	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3083
Annotation	Vielanin A
Peak:m/z	Relative Intensity
50.37454	0.3
55.05523	0.4
62.31542	0.3
67.05493	1.0
69.15508	3.0
79.95307	0.4
81.07062	1.0
86.56177	0.3
87.66850	0.3
91.05501	0.9
93.07058	1.1
95.08601	1.0
98.22677	0.7
104.15987	0.3
105.03416	1.1
105.07052	0.6
106.03710	0.8
107.08573	0.7
109.10167	0.5
113.41196	0.4
119.08613	0.5
133.10158	0.4
135.11610	0.4
175.14267	0.3
183.80081	0.3
212.62567	0.4
225.09036	0.4
242.85883	0.4
312.09351	0.8
313.09735	0.8
344.12219	0.6
345.12323	0.8
387.23077	0.7
445.30774	1.5
449.26654	8.6
450.26855	0.5
489.29739	23.6
490.30142	2.5
507.30817	100.0
508.31158	11.5
508.89807	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3082
Annotation	Vielanin A
Peak:m/z	Relative Intensity
53.03952	0.5
54.88373	0.4
55.05517	0.5
58.22952	0.4
67.05502	1.4
69.07064	0.5
79.05501	0.6
79.18124	0.4
81.07034	0.6
83.04996	0.5
86.09705	0.8
91.05475	1.3
93.07061	1.4
95.08607	1.3
98.23358	1.3
104.10760	1.4
105.03400	5.7
105.07046	1.5
106.03748	1.9
107.08609	0.9
109.10151	0.9
110.92715	0.5
119.08585	1.2
121.10141	0.6
123.08070	0.5
125.00047	0.5
133.10153	0.9
135.08060	1.0
137.05971	0.4
143.87433	0.4
145.10165	1.2
149.09676	0.6
159.11722	0.7
171.11632	0.6
184.07352	1.5
185.98032	0.4
189.12798	0.5
195.11720	0.6
228.83000	0.5
449.26727	5.2
450.27420	0.6
463.32071	0.7
475.18048	0.7
489.29895	13.0
490.30841	0.5
507.30814	100.0
508.31207	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
53.10832	0.3
55.05500	0.5
62.91522	0.3
65.29090	0.2
67.05512	0.7
69.07068	0.3
69.22181	0.9
69.22607	1.3
74.60578	0.2
79.05489	0.4
81.07063	0.8
83.04997	0.3
91.05457	0.6
93.07064	1.0
93.94170	0.2
95.08613	1.0
98.23376	0.5
104.10709	0.4
105.03389	0.7
105.07053	1.0
107.08587	0.6
109.10168	0.4
119.08657	0.4
121.10196	0.4
123.08090	0.5
129.06961	0.4
131.08580	0.5
133.10110	0.5
135.11696	0.3
143.08606	0.4
145.10155	1.0
147.07994	0.3
155.08603	0.6
157.10181	0.7
163.11284	0.3
167.08620	0.4
169.10268	0.3
171.11710	0.3
181.10214	0.4
189.12776	0.3
195.11707	0.5
197.13345	0.3
205.10196	0.5
207.11700	0.3
209.13260	0.4
221.09512	0.3
221.13155	0.3
223.11174	0.3
225.12837	0.4
235.11032	0.3
253.12373	0.4
261.13174	0.3
261.16464	0.4
267.10239	0.3
267.13730	0.3
295.13443	0.6
307.13440	0.3
319.13300	0.3
333.14944	0.3
345.13116	0.3
349.18073	0.4
367.18820	0.3
428.70340	0.3
429.24255	0.9
445.30731	1.3
447.25430	1.1
449.26663	7.8
450.26749	0.6
457.23666	0.4
463.32013	0.7
475.24771	0.6
489.30240	15.8
490.30493	1.5
507.30875	100.0
508.31290	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01863	1.0
55.05511	3.6
57.03444	0.5
57.07050	0.7
59.04982	0.6
65.03932	0.9
67.05138	0.5
67.05505	8.0
69.03426	3.5
69.07072	3.0
71.04992	1.0
71.29196	0.8
71.65102	0.4
79.05484	3.9
81.03402	0.9
81.07050	9.4
83.04984	3.9
83.08601	0.8
83.93350	0.4
85.02919	0.5
85.06530	1.1
91.05470	4.9
93.07041	6.4
95.04984	2.5
95.08604	9.9
97.02907	0.9
97.06503	1.8
97.10149	1.3
99.00802	1.6
99.04455	0.8
101.06030	0.4
103.05427	0.8
105.03389	0.5
105.07025	5.0
107.04964	1.7
107.08591	4.5
109.06512	2.0
109.10153	8.4
111.04454	2.4
111.08055	1.6
113.02388	0.5
113.06015	1.1
115.05441	0.8
115.14321	0.5
117.07021	1.7
119.04948	0.7
119.08585	6.8
120.08980	0.5
121.06515	3.0
121.10165	2.9
122.07277	2.3
123.04450	1.1
123.08069	2.5
123.11701	3.1
125.05978	1.5
125.09634	1.1
128.06221	1.1
129.07014	1.7
131.08624	2.2
133.06468	1.4
133.10143	2.3
135.04398	0.9
135.08055	2.3
135.11681	1.2
137.05986	4.7
137.09602	14.2
138.09877	0.5
139.07568	1.1
139.11179	0.6
141.06969	0.8
141.09100	1.5
142.07762	1.2
143.08536	2.3
145.06479	1.5
145.10153	2.4
147.08055	1.6
147.11667	1.4
149.05933	1.1
149.09619	2.8
149.13168	0.7
151.07538	3.4
151.11162	1.0
153.05443	1.3
155.07228	0.8
155.08546	3.9
156.09312	0.9
157.06404	0.7
157.08774	0.5
157.10083	2.3
158.07254	0.9
159.08049	2.4
159.11676	2.1
161.05980	1.9
161.09610	1.7
161.13263	0.8
163.03839	0.8
163.07538	0.9
163.11171	1.0
165.09109	100.0
166.08022	0.6
166.09438	3.9
167.07101	0.6
167.08527	1.2
168.09233	0.5
169.08710	0.7
169.10080	1.5
171.08044	2.0
171.11688	0.9
172.08748	0.7
173.09567	2.7
173.13263	0.6
175.07552	1.4
175.11134	1.2
177.09091	1.0
178.07936	0.7
179.08557	1.3
179.10619	0.9
180.09294	0.5
181.04935	1.6
181.10100	1.3
182.10875	0.5
183.07985	0.8
183.11742	0.7
185.09549	1.5
187.07550	0.9
187.09682	1.1
187.11185	1.1
189.09111	1.8
189.12727	1.3
191.06979	0.7
191.10637	0.6
191.14366	0.5
192.09331	0.5
193.10104	1.6
195.06535	3.2
195.08112	1.1
195.11681	1.1
196.08745	0.8
197.09624	0.8
197.13263	1.2
199.07542	1.4
199.11205	1.5
199.14786	0.8
201.09143	1.2
201.12737	0.5
203.08870	0.6
203.10698	2.2
205.10286	0.8
205.12263	1.9
207.06294	0.5
207.10023	0.7
207.11781	1.1
209.07983	1.0
209.09700	0.9
209.13304	1.1
210.10323	0.6
211.07538	0.5
211.11186	1.9
215.10678	0.8
217.08528	1.0
219.08147	0.5
219.09982	0.6
219.11812	0.7
221.09785	0.8
221.13248	0.6
223.09599	1.4
225.09279	0.7
225.12686	1.3
227.10660	0.9
227.14243	0.6
229.12195	1.0
231.11642	1.0
232.12347	0.5
233.09656	0.5
233.11737	0.6
235.09485	0.6
235.11557	0.7
237.11037	0.8
239.10843	0.7
240.14676	0.5
241.12404	0.9
243.13914	0.7
245.13240	0.8
245.15468	0.5
247.11346	0.5
253.12276	1.0
254.12933	0.5
255.13820	2.2
257.11661	1.2
261.12863	0.8
281.11670	0.6
282.10553	0.5
287.14197	0.8
289.12314	0.5
291.23099	0.9
305.17560	0.6
319.15442	0.5
319.22656	0.8
331.16849	0.6
337.23712	1.3
355.16666	0.5
397.21432	0.5
417.24744	0.5
425.21082	1.3
433.23746	0.7
443.22217	2.6
445.23816	1.2
453.20493	0.6
461.23309	2.2
471.21451	2.0
471.27408	1.7
489.22495	4.5
489.28732	2.8
490.22903	0.6
507.23434	9.8
507.30136	5.7
508.23785	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01863	1.0
55.05511	3.6
57.03444	0.5
57.07050	0.7
59.04982	0.6
65.03932	0.9
67.05138	0.5
67.05505	8.0
69.03426	3.5
69.07072	3.0
71.04992	1.0
71.29196	0.8
71.65102	0.4
79.05484	3.9
81.03402	0.9
81.07050	9.4
83.04984	3.9
83.08601	0.8
83.93350	0.4
85.02919	0.5
85.06530	1.1
91.05470	4.9
93.07041	6.4
95.04984	2.5
95.08604	9.9
97.02907	0.9
97.06503	1.8
97.10149	1.3
99.00802	1.6
99.04455	0.8
101.06030	0.4
103.05427	0.8
105.03389	0.5
105.07025	5.0
107.04964	1.7
107.08591	4.5
109.06512	2.0
109.10153	8.4
111.04454	2.4
111.08055	1.6
113.02388	0.5
113.06015	1.1
115.05441	0.8
115.14321	0.5
117.07021	1.7
119.04948	0.7
119.08585	6.8
120.08980	0.5
121.06515	3.0
121.10165	2.9
122.07277	2.3
123.04450	1.1
123.08069	2.5
123.11701	3.1
125.05978	1.5
125.09634	1.1
128.06221	1.1
129.07014	1.7
131.08624	2.2
133.06468	1.4
133.10143	2.3
135.04398	0.9
135.08055	2.3
135.11681	1.2
137.05986	4.7
137.09602	14.2
138.09877	0.5
139.07568	1.1
139.11179	0.6
141.06969	0.8
141.09100	1.5
142.07762	1.2
143.08536	2.3
145.06479	1.5
145.10153	2.4
147.08055	1.6
147.11667	1.4
149.05933	1.1
149.09619	2.8
149.13168	0.7
151.07538	3.4
151.11162	1.0
153.05443	1.3
155.07228	0.8
155.08546	3.9
156.09312	0.9
157.06404	0.7
157.08774	0.5
157.10083	2.3
158.07254	0.9
159.08049	2.4
159.11676	2.1
161.05980	1.9
161.09610	1.7
161.13263	0.8
163.03839	0.8
163.07538	0.9
163.11171	1.0
165.09109	100.0
166.08022	0.6
166.09438	3.9
167.07101	0.6
167.08527	1.2
168.09233	0.5
169.08710	0.7
169.10080	1.5
171.08044	2.0
171.11688	0.9
172.08748	0.7
173.09567	2.7
173.13263	0.6
175.07552	1.4
175.11134	1.2
177.09091	1.0
178.07936	0.7
179.08557	1.3
179.10619	0.9
180.09294	0.5
181.04935	1.6
181.10100	1.3
182.10875	0.5
183.07985	0.8
183.11742	0.7
185.09549	1.5
187.07550	0.9
187.09682	1.1
187.11185	1.1
189.09111	1.8
189.12727	1.3
191.06979	0.7
191.10637	0.6
191.14366	0.5
192.09331	0.5
193.10104	1.6
195.06535	3.2
195.08112	1.1
195.11681	1.1
196.08745	0.8
197.09624	0.8
197.13263	1.2
199.07542	1.4
199.11205	1.5
199.14786	0.8
201.09143	1.2
201.12737	0.5
203.08870	0.6
203.10698	2.2
205.10286	0.8
205.12263	1.9
207.06294	0.5
207.10023	0.7
207.11781	1.1
209.07983	1.0
209.09700	0.9
209.13304	1.1
210.10323	0.6
211.07538	0.5
211.11186	1.9
215.10678	0.8
217.08528	1.0
219.08147	0.5
219.09982	0.6
219.11812	0.7
221.09785	0.8
221.13248	0.6
223.09599	1.4
225.09279	0.7
225.12686	1.3
227.10660	0.9
227.14243	0.6
229.12195	1.0
231.11642	1.0
232.12347	0.5
233.09656	0.5
233.11737	0.6
235.09485	0.6
235.11557	0.7
237.11037	0.8
239.10843	0.7
240.14676	0.5
241.12404	0.9
243.13914	0.7
245.13240	0.8
245.15468	0.5
247.11346	0.5
253.12276	1.0
254.12933	0.5
255.13820	2.2
257.11661	1.2
261.12863	0.8
281.11670	0.6
282.10553	0.5
287.14197	0.8
289.12314	0.5
291.23099	0.9
305.17560	0.6
319.15442	0.5
319.22656	0.8
331.16849	0.6
337.23712	1.3
355.16666	0.5
397.21432	0.5
417.24744	0.5
425.21082	1.3
433.23746	0.7
443.22217	2.6
445.23816	1.2
453.20493	0.6
461.23309	2.2
471.21451	2.0
471.27408	1.7
489.22495	4.5
489.28732	2.8
490.22903	0.6
507.23434	9.8
507.30136	5.7
508.23785	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01863	1.0
55.05511	3.6
57.03444	0.5
57.07050	0.7
59.04982	0.6
65.03932	0.9
67.05138	0.5
67.05505	8.0
69.03426	3.5
69.07072	3.0
71.04992	1.0
71.29196	0.8
71.65102	0.4
79.05484	3.9
81.03402	0.9
81.07050	9.4
83.04984	3.9
83.08601	0.8
83.93350	0.4
85.02919	0.5
85.06530	1.1
91.05470	4.9
93.07041	6.4
95.04984	2.5
95.08604	9.9
97.02907	0.9
97.06503	1.8
97.10149	1.3
99.00802	1.6
99.04455	0.8
101.06030	0.4
103.05427	0.8
105.03389	0.5
105.07025	5.0
107.04964	1.7
107.08591	4.5
109.06512	2.0
109.10153	8.4
111.04454	2.4
111.08055	1.6
113.02388	0.5
113.06015	1.1
115.05441	0.8
115.14321	0.5
117.07021	1.7
119.04948	0.7
119.08585	6.8
120.08980	0.5
121.06515	3.0
121.10165	2.9
122.07277	2.3
123.04450	1.1
123.08069	2.5
123.11701	3.1
125.05978	1.5
125.09634	1.1
128.06221	1.1
129.07014	1.7
131.08624	2.2
133.06468	1.4
133.10143	2.3
135.04398	0.9
135.08055	2.3
135.11681	1.2
137.05986	4.7
137.09602	14.2
138.09877	0.5
139.07568	1.1
139.11179	0.6
141.06969	0.8
141.09100	1.5
142.07762	1.2
143.08536	2.3
145.06479	1.5
145.10153	2.4
147.08055	1.6
147.11667	1.4
149.05933	1.1
149.09619	2.8
149.13168	0.7
151.07538	3.4
151.11162	1.0
153.05443	1.3
155.07228	0.8
155.08546	3.9
156.09312	0.9
157.06404	0.7
157.08774	0.5
157.10083	2.3
158.07254	0.9
159.08049	2.4
159.11676	2.1
161.05980	1.9
161.09610	1.7
161.13263	0.8
163.03839	0.8
163.07538	0.9
163.11171	1.0
165.09109	100.0
166.08022	0.6
166.09438	3.9
167.07101	0.6
167.08527	1.2
168.09233	0.5
169.08710	0.7
169.10080	1.5
171.08044	2.0
171.11688	0.9
172.08748	0.7
173.09567	2.7
173.13263	0.6
175.07552	1.4
175.11134	1.2
177.09091	1.0
178.07936	0.7
179.08557	1.3
179.10619	0.9
180.09294	0.5
181.04935	1.6
181.10100	1.3
182.10875	0.5
183.07985	0.8
183.11742	0.7
185.09549	1.5
187.07550	0.9
187.09682	1.1
187.11185	1.1
189.09111	1.8
189.12727	1.3
191.06979	0.7
191.10637	0.6
191.14366	0.5
192.09331	0.5
193.10104	1.6
195.06535	3.2
195.08112	1.1
195.11681	1.1
196.08745	0.8
197.09624	0.8
197.13263	1.2
199.07542	1.4
199.11205	1.5
199.14786	0.8
201.09143	1.2
201.12737	0.5
203.08870	0.6
203.10698	2.2
205.10286	0.8
205.12263	1.9
207.06294	0.5
207.10023	0.7
207.11781	1.1
209.07983	1.0
209.09700	0.9
209.13304	1.1
210.10323	0.6
211.07538	0.5
211.11186	1.9
215.10678	0.8
217.08528	1.0
219.08147	0.5
219.09982	0.6
219.11812	0.7
221.09785	0.8
221.13248	0.6
223.09599	1.4
225.09279	0.7
225.12686	1.3
227.10660	0.9
227.14243	0.6
229.12195	1.0
231.11642	1.0
232.12347	0.5
233.09656	0.5
233.11737	0.6
235.09485	0.6
235.11557	0.7
237.11037	0.8
239.10843	0.7
240.14676	0.5
241.12404	0.9
243.13914	0.7
245.13240	0.8
245.15468	0.5
247.11346	0.5
253.12276	1.0
254.12933	0.5
255.13820	2.2
257.11661	1.2
261.12863	0.8
281.11670	0.6
282.10553	0.5
287.14197	0.8
289.12314	0.5
291.23099	0.9
305.17560	0.6
319.15442	0.5
319.22656	0.8
331.16849	0.6
337.23712	1.3
355.16666	0.5
397.21432	0.5
417.24744	0.5
425.21082	1.3
433.23746	0.7
443.22217	2.6
445.23816	1.2
453.20493	0.6
461.23309	2.2
471.21451	2.0
471.27408	1.7
489.22495	4.5
489.28732	2.8
490.22903	0.6
507.23434	9.8
507.30136	5.7
508.23785	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	2.0
53.03942	5.1
55.01867	2.1
55.05508	21.9
57.03443	2.0
57.07074	58.2
60.22308	1.7
60.71574	1.4
65.03939	2.7
65.45469	1.8
67.05504	69.6
69.05257	14.0
69.06720	2.7
69.07065	27.6
71.04998	3.3
71.08628	31.5
75.77640	1.4
79.05488	34.1
81.03438	2.3
81.07053	95.2
82.07391	1.9
83.04979	5.2
83.08618	23.6
85.06551	4.6
85.10192	17.2
89.27799	1.6
89.28349	1.7
90.22624	1.7
91.05478	21.8
93.06467	2.8
93.07043	43.9
95.04987	4.8
95.08599	41.7
97.06537	6.9
97.10155	8.7
99.08119	1.9
105.03394	3.9
105.04511	1.6
105.07018	10.0
107.08590	27.0
109.06493	3.3
109.10147	15.1
111.08062	5.0
117.07013	7.7
121.10162	10.5
123.11693	8.8
131.08563	5.3
133.10121	10.7
135.07899	1.8
135.11693	9.4
137.13322	3.1
147.11646	2.0
147.75612	1.5
149.13246	23.9
151.14899	1.8
159.11659	9.5
164.75998	1.5
177.12761	5.9
195.13797	14.6
213.14886	2.9
228.77011	1.8
239.23683	13.9
316.29739	1.7
507.11176	2.2
507.40485	100.0
508.40768	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59149	1.0
51.02367	1.0
53.00301	0.8
53.03937	4.7
55.01854	1.3
55.05511	23.9
57.03434	4.1
57.07075	64.3
65.03926	4.0
67.05505	74.1
68.05814	1.0
69.07065	28.6
71.04990	4.7
71.08632	44.6
79.05493	40.9
79.06195	1.1
79.32978	0.9
81.03416	3.2
81.07055	89.9
82.07394	2.0
83.04972	10.1
83.08618	28.2
84.12852	0.9
85.06556	4.7
85.10181	23.0
91.05478	28.0
91.34187	1.0
93.07045	45.3
95.04957	7.5
95.08607	54.4
96.09020	1.5
97.06527	9.5
97.10163	10.2
98.22644	2.5
99.08096	2.9
99.11731	2.0
105.04526	1.9
105.07027	8.0
107.08588	19.7
109.06518	2.4
109.10148	19.0
110.19355	1.0
111.08086	5.7
111.11694	1.4
113.13272	1.4
115.05475	1.1
117.07021	10.1
119.08579	2.9
121.06577	1.3
121.10145	12.4
123.08086	1.6
123.11700	10.8
125.13256	1.3
129.06964	1.3
131.08540	10.7
133.10143	9.9
135.08047	1.5
135.11711	7.8
137.13280	4.2
139.11105	1.7
147.11647	1.2
149.13266	26.0
150.13640	0.9
151.11250	1.2
159.11671	11.8
165.16432	1.7
167.14299	1.0
177.12793	6.1
195.13814	15.0
221.22591	1.3
233.15312	1.3
239.23718	14.9
251.16469	1.9
313.27435	1.2
507.40433	100.0
508.40698	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.4
55.01863	2.0
55.05512	20.5
57.03442	3.1
57.07075	45.1
65.03946	3.3
67.05506	58.4
67.73051	1.4
69.03426	2.5
69.07063	27.0
70.31953	1.6
70.32270	3.1
71.05003	5.1
71.08635	34.4
79.05491	32.7
79.95981	1.5
81.03441	7.7
81.07055	80.8
82.07402	2.5
83.04995	4.6
83.08619	29.6
85.06545	4.9
85.10178	20.6
91.05475	19.5
93.07039	40.8
94.07358	1.9
95.04977	4.8
95.08604	48.6
97.06551	7.9
97.10184	8.9
99.08099	3.1
105.03407	7.8
105.07009	11.2
107.08592	22.7
109.06506	2.3
109.10146	17.0
111.08083	5.9
117.07025	9.4
119.08588	3.3
121.06538	2.2
121.10145	9.7
123.11691	7.7
125.13303	2.2
131.08607	8.6
133.09270	2.5
133.10126	11.7
135.11705	9.0
137.13292	3.6
147.11691	2.2
149.13254	21.8
151.11211	2.0
151.14775	1.9
159.11711	10.6
165.16443	2.0
173.13390	1.7
177.12781	4.6
195.13834	12.8
213.14899	2.1
234.96509	1.7
239.23689	9.1
442.35489	1.7
496.54541	1.6
507.31116	8.8
507.40445	100.0
508.40771	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28303	0.8
51.97828	1.0
53.03956	1.7
57.03436	1.4
58.85733	0.8
60.22306	0.9
61.02930	2.5
69.03443	11.0
69.50336	5.6
71.04990	1.4
74.77276	0.9
77.03889	1.3
79.05500	13.1
80.74959	0.9
81.03424	4.3
85.02912	20.3
91.05482	1.1
97.02901	5.8
98.22638	1.0
98.43700	1.0
99.04477	1.7
103.05475	16.8
105.07026	2.6
107.04960	68.8
108.05307	2.5
109.02894	3.5
127.03931	11.3
131.04932	100.0
132.05302	2.4
141.07031	1.0
141.52078	1.0
144.08092	21.6
145.04959	6.3
145.08450	5.8
149.05988	56.3
149.09613	1.6
151.35091	1.0
161.10757	4.3
163.06078	2.1
205.07243	1.3
233.08195	1.2
251.09193	7.9
275.09195	2.6
285.91058	1.0
293.10193	20.7
294.10553	1.0
311.11310	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01875	1.9
57.03434	4.4
61.02919	5.4
69.03426	21.2
69.53283	4.8
73.02908	3.9
79.05505	18.8
81.03410	6.2
85.02906	74.7
86.03231	1.6
87.04498	1.6
91.03948	3.3
91.05471	2.8
95.04954	1.2
97.02896	19.3
99.04449	4.3
103.05467	6.1
105.07036	7.3
107.04951	100.0
108.05298	2.3
109.02871	7.3
112.38046	1.2
121.10107	2.0
122.02720	6.7
127.03911	22.4
131.04922	48.9
133.10129	3.8
134.93724	1.3
137.05945	2.1
138.05482	1.6
141.62280	1.3
145.04951	42.0
149.05978	74.1
149.09624	4.2
150.06305	2.7
161.09596	2.2
163.06013	18.6
163.11176	2.2
179.10681	4.3
189.09183	1.4
207.10176	1.5
207.13667	1.6
214.14268	1.1
293.10077	1.9
300.13034	1.4
416.00638	1.2
422.21585	1.2
428.16571	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16008	0.8
53.03957	1.6
56.06100	0.8
57.03439	1.5
61.02922	2.2
69.03432	4.6
69.34173	5.4
79.05499	13.2
81.03419	2.6
82.80300	1.0
85.02909	25.3
91.04007	1.0
97.02911	6.5
103.05470	7.0
105.07046	2.6
107.04960	100.0
108.05294	1.6
109.02873	1.4
109.85113	1.0
111.78574	0.9
127.03939	5.7
131.04935	49.7
137.06035	0.9
145.04956	7.5
149.05986	68.7
149.09602	10.4
163.06059	3.9
173.05963	1.3
185.09642	1.5
197.09642	1.2
215.10754	1.5
233.08101	1.1
233.11838	1.2
257.11700	1.3
293.10278	4.0
342.13861	1.0
395.17831	0.9
412.82129	1.0
436.44296	0.9
469.25125	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01874	1.0
56.75680	0.8
57.03429	3.3
61.02925	5.0
61.50029	0.8
67.53422	0.9
69.03434	9.9
71.04992	2.4
71.29877	1.4
71.41647	0.8
73.02908	2.2
79.05499	16.0
81.03422	3.3
85.02909	47.9
86.03342	0.9
87.04469	1.1
91.03974	2.4
93.07053	1.2
95.04988	1.4
95.68312	1.1
97.02895	11.6
99.04452	2.2
100.80173	0.9
103.03965	1.1
103.05495	8.2
105.07033	3.9
107.04960	100.0
108.05289	4.4
109.02892	3.1
109.10195	1.1
127.03931	11.3
129.05478	1.6
131.04933	51.5
132.05243	1.4
137.05995	3.3
144.08098	9.6
145.04970	21.5
145.08420	2.4
149.05989	88.4
150.06384	1.5
151.03900	2.6
155.11795	3.9
161.10748	2.0
163.06044	10.1
163.07422	1.7
165.09160	2.0
179.07124	1.5
197.07967	0.9
203.18045	1.1
293.10178	2.5
303.32748	1.1
311.11157	1.5
394.64359	1.0
508.16138	1.3
508.24323	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.05518	1.6
57.03436	1.2
57.85657	0.8
58.99587	7.9
61.02927	1.1
69.03432	4.7
69.07059	2.2
70.42799	1.8
71.04992	1.2
73.02898	1.0
76.02229	14.7
79.05488	2.6
81.03401	1.8
81.07068	4.9
83.04984	2.5
83.08575	0.7
85.02907	16.0
86.99046	5.1
88.02201	1.1
88.03992	1.2
91.05486	1.7
93.07046	1.6
95.08036	1.1
95.08601	8.7
97.02896	3.9
100.02200	3.0
103.05466	1.2
105.00088	10.0
105.07020	5.2
107.04954	11.5
107.08579	3.2
109.02879	1.5
109.06525	1.0
109.10178	1.7
110.32651	0.8
119.08604	5.3
121.06556	0.9
121.10158	5.0
122.02728	100.0
123.03067	0.9
123.08088	5.7
123.11707	0.9
125.06019	1.0
125.09665	1.1
127.03945	3.7
131.04921	5.3
131.08600	0.9
133.06456	0.9
133.10130	3.1
134.02727	1.5
135.08052	1.5
135.11682	1.2
137.05978	2.0
137.09628	1.2
137.13252	6.1
145.04980	5.0
146.02687	3.4
147.08000	1.5
147.11714	2.4
149.05966	10.2
149.09659	3.7
151.07538	8.8
151.14801	1.0
153.09079	1.3
159.11673	0.9
161.09795	1.0
161.13251	9.3
163.06038	2.4
164.03728	1.5
165.09143	1.6
165.12770	2.5
167.10670	2.4
171.11717	1.5
174.10329	0.8
179.14305	6.5
189.12744	7.6
195.13678	0.8
200.03716	0.9
207.13799	28.6
208.14206	1.6
225.14886	11.1
226.15404	0.9
230.05017	0.8
248.05815	1.7
266.06879	0.9
284.08051	3.3
328.15820	1.9
346.16821	39.4
347.17139	2.5
393.03210	0.7
477.84592	0.7
490.21307	0.8
508.21967	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.6
62.97252	2.2
67.05498	5.8
69.07079	3.2
69.11966	20.6
81.07059	4.9
83.04979	7.3
91.05479	5.5
93.07041	11.7
95.04964	2.0
95.08610	10.0
97.06519	2.4
104.78256	2.4
105.07034	6.8
107.08597	7.2
109.10178	4.2
111.04417	4.9
111.08067	6.7
117.07069	2.5
119.08581	11.4
121.10171	2.5
123.08057	2.1
129.06993	3.7
131.08565	7.9
133.10146	8.3
135.11557	2.1
139.07594	4.7
141.07062	2.6
143.08562	5.1
145.10118	6.7
147.11769	5.4
155.08569	12.0
156.09273	2.2
157.10152	7.5
159.08093	2.5
159.11696	7.8
161.13243	2.0
165.07100	2.0
167.08577	2.4
168.09329	2.3
169.10136	6.0
170.58081	2.2
171.11736	5.0
173.09738	2.5
173.13333	3.1
174.87056	2.0
175.11232	2.6
181.10121	5.7
183.11668	4.2
185.13225	3.2
189.12779	3.3
193.10213	3.8
194.10873	3.3
195.11731	4.9
197.09669	2.7
197.13303	4.3
199.11267	3.5
199.14754	2.9
201.12746	8.5
207.11528	4.3
209.13196	4.4
211.11121	2.2
213.12688	2.4
219.11847	3.4
219.13857	8.6
220.12335	3.1
221.13254	7.2
223.14784	3.4
227.14285	2.4
233.13225	3.7
235.11295	2.8
235.14836	6.4
237.16541	2.7
245.15326	2.7
247.14896	3.8
251.14267	3.5
261.16458	3.7
263.14410	2.9
263.18152	2.1
269.15356	3.6
279.17310	2.2
289.15738	3.0
293.15329	2.8
305.19025	3.3
309.18591	2.3
321.18640	2.4
323.20261	3.5
331.20520	4.7
333.22000	3.0
364.23987	6.1
385.21744	2.4
417.28018	4.2
427.26450	9.3
445.27441	19.8
463.21979	2.9
463.28427	69.3
464.28854	5.8
490.30118	13.0
508.31158	100.0
509.31323	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1293
Annotation	Myricetin 7,4'-dimethyl ether 3-galactoside
Peak:m/z	Relative Intensity
51.20060	0.8
57.03443	1.5
60.17376	0.8
61.02927	5.4
68.99777	1.0
69.03437	1.6
70.63920	1.7
73.02924	2.3
74.61173	0.9
79.05499	0.9
85.02901	6.6
91.03963	2.5
91.05469	4.3
94.04169	1.1
95.04957	1.0
97.02900	3.6
103.05492	1.0
105.03392	0.8
107.04979	1.8
115.05447	0.9
119.04946	2.5
121.06506	0.8
122.03637	1.0
127.03917	1.7
129.07014	2.2
131.04942	2.1
133.06439	1.2
137.02341	1.5
137.05986	18.4
139.03922	4.4
145.04973	1.2
147.04436	1.8
149.05949	1.3
150.03114	1.0
151.04091	1.0
151.07552	7.8
153.01842	9.1
153.05461	5.4
157.06578	1.7
161.05994	10.1
161.09674	2.7
162.06818	0.9
163.07524	1.7
165.01791	4.1
165.05397	0.9
174.06837	1.3
175.07603	2.7
177.09140	1.1
181.04999	1.7
185.05980	1.0
187.07553	1.1
189.09102	10.6
195.10179	2.3
203.07048	1.3
207.10144	6.5
213.05511	1.8
229.05020	1.7
230.05629	0.9
231.06531	2.0
241.05083	1.4
244.03697	2.0
255.02950	1.2
257.04562	1.1
258.05173	7.2
259.06061	2.1
265.08658	1.2
269.04593	2.1
285.03915	1.8
285.11148	1.5
286.04660	5.3
287.05545	8.4
291.08694	1.7
297.11243	2.2
303.05042	3.1
311.12772	2.4
314.04254	2.2
315.05014	3.5
331.04532	5.9
332.05298	3.6
337.14377	2.0
347.07617	100.0
348.07800	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1292
Annotation	syringetin-3-O-glucoside
Peak:m/z	Relative Intensity
51.41072	0.3
53.03936	0.6
54.90563	0.3
54.90846	0.3
55.01881	0.4
57.03422	0.5
61.02924	5.7
65.03928	0.5
68.99786	0.7
69.03436	1.6
71.01382	0.3
71.04984	0.3
71.30193	0.5
73.02921	1.5
76.18040	0.3
79.05506	0.5
81.03409	0.5
81.07061	0.5
85.02905	6.1
89.03873	0.3
91.03948	3.1
91.05492	2.4
97.02885	3.4
103.05502	0.8
105.03381	0.6
105.06999	0.9
107.04937	0.9
109.02869	0.4
115.03973	0.4
115.05472	0.5
117.07006	0.4
119.04939	1.2
121.02859	1.3
121.06555	0.6
122.03652	0.7
123.04444	0.4
125.05953	0.4
127.03941	1.0
129.07001	0.8
131.04976	0.7
133.02870	0.6
135.04344	0.4
135.08035	0.4
137.02332	1.3
137.05980	9.5
138.03152	0.4
139.03902	4.0
144.05731	0.3
145.04979	0.5
145.06483	0.4
146.07266	0.3
147.04398	0.6
148.05083	0.3
149.05983	0.4
150.03065	0.5
151.03888	0.5
151.07545	4.4
153.01833	7.5
153.05441	5.2
154.06181	0.8
157.06438	0.3
160.05234	0.4
161.05978	6.5
161.07141	0.2
161.09605	1.6
163.03961	0.7
163.07545	1.0
165.01831	3.4
174.06905	0.4
175.07532	1.9
177.01904	0.3
177.05519	0.3
177.09123	0.9
178.02612	0.4
178.07796	0.3
179.08560	0.3
181.05026	2.0
183.02872	0.7
185.06047	0.3
189.05437	0.3
189.09123	2.1
194.02112	0.6
195.10146	1.2
201.05479	0.5
203.03409	0.4
207.06494	1.2
207.10159	2.8
211.07458	0.3
213.05458	0.9
216.04250	0.6
225.09154	0.3
229.04933	1.8
230.05699	0.9
231.06477	1.2
232.03625	0.3
233.04401	0.7
237.09128	0.5
241.04979	0.9
243.02840	0.9
244.03691	1.7
245.04358	0.3
247.07652	0.3
249.09186	0.7
255.02809	0.7
257.04440	1.7
258.05234	6.8
259.06015	2.8
261.04037	0.4
265.08572	1.0
269.04410	2.2
269.07269	0.4
271.06192	0.3
272.03146	0.6
273.03781	0.5
274.15649	0.3
277.08517	0.6
283.02402	0.4
283.09592	0.7
284.03052	0.5
285.03894	2.2
285.11243	0.4
286.04681	5.9
287.05472	10.3
288.05881	0.7
289.03348	0.9
291.08542	1.9
297.11090	1.5
299.12878	0.4
300.02634	0.4
301.03571	0.7
302.04123	0.6
303.04984	3.3
303.27676	0.4
304.05594	0.4
305.11792	0.3
309.10898	0.3
311.12830	1.0
313.03424	0.8
314.04199	1.4
315.04999	3.3
316.05585	0.7
317.02863	0.5
318.07324	0.8
323.12775	0.7
328.13074	0.4
331.04471	6.6
332.05258	4.2
332.84180	0.3
337.14362	0.8
347.07602	100.0
348.07950	5.0
355.15350	0.5
359.07681	1.0
367.15460	0.4
371.07477	0.5
371.14850	0.3
389.08636	1.1
413.08722	0.8
416.15811	0.3
479.20801	0.3
508.29904	0.6
509.16315	3.6
509.30414	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
60.24215	0.5
66.92941	0.5
71.29301	0.7
80.82957	0.4
89.03858	0.4
105.07074	0.4
115.05467	2.7
117.05772	1.6
119.77431	0.4
131.04987	0.6
132.08087	4.3
133.06465	0.7
142.06519	0.8
146.51500	0.5
147.62656	0.4
159.06798	0.8
160.07582	100.0
161.07921	3.1
162.05498	0.6
177.10245	12.7
425.79144	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
64.93972	0.5
69.18716	1.4
69.19148	3.0
69.86594	0.6
76.74043	0.5
81.07073	1.1
95.04984	1.0
98.22578	0.7
101.28213	0.6
105.03391	5.1
105.06995	0.7
137.05910	0.6
189.05170	0.8
227.06973	0.7
228.07703	0.6
265.08829	0.8
295.13330	1.0
318.10791	0.7
323.12704	0.7
327.15765	0.7
331.11823	1.3
338.66525	0.6
351.12149	1.5
355.15216	3.0
363.11957	1.9
378.14224	0.9
379.11484	2.5
387.18011	3.2
394.13907	4.8
409.16199	100.0
410.16580	9.8
435.14423	1.5
450.18680	0.9
453.89594	0.6
509.25861	3.7
509.33142	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2171
Annotation	Mortonin D
Peak:m/z	Relative Intensity
55.05483	0.7
55.41114	0.5
59.04988	0.8
67.05496	0.9
69.07072	0.9
71.92048	0.7
75.04470	1.7
79.05479	0.8
91.05461	0.7
91.25152	0.5
93.96683	0.5
95.08632	0.8
99.04465	0.9
101.06013	3.5
105.03396	1.7
105.07042	0.8
109.06597	0.5
121.65435	0.5
129.05505	0.6
153.05614	0.6
153.06973	0.7
155.08508	0.8
157.10153	0.8
158.07289	0.6
159.08017	1.7
162.31557	0.6
163.07579	0.6
165.06960	1.4
167.07085	1.4
169.91235	0.6
171.08026	0.6
171.11674	0.7
173.09613	2.0
178.07854	0.8
179.08484	0.7
181.06490	0.8
181.08611	0.7
181.10075	0.9
182.07224	1.0
183.08104	0.7
184.05191	1.3
185.05940	0.6
185.09694	0.8
187.07562	1.3
191.08554	1.3
193.10062	1.0
195.08017	1.9
195.11679	0.9
197.05931	1.0
197.09633	1.0
198.06850	1.3
199.07532	3.3
201.09096	1.3
203.08681	0.9
204.09406	0.8
205.06551	1.2
205.10194	0.9
207.08034	0.6
207.11778	0.6
208.08693	0.7
209.09650	3.4
210.06781	2.0
211.07507	2.4
211.11079	0.7
212.08296	0.6
213.05438	1.5
213.08983	0.8
214.06262	0.9
215.07059	2.5
217.10320	0.6
219.08170	1.3
220.08746	3.0
221.06146	0.7
221.09595	2.6
222.06699	0.6
222.10345	1.1
223.07544	1.8
223.11087	1.5
224.08347	1.2
224.11974	0.7
225.05493	0.9
225.09093	3.2
226.06287	1.6
226.09853	1.3
227.06953	5.3
227.10571	1.4
228.07777	2.0
229.04921	1.6
229.08586	1.4
230.05589	0.7
233.09607	1.7
233.11696	0.7
234.10464	1.8
235.07581	1.1
235.11171	3.9
236.08426	0.7
236.11844	1.4
237.09096	9.0
237.12735	0.8
238.06268	1.2
238.09860	1.8
239.07051	2.4
239.10652	3.0
240.07779	1.8
241.04907	2.8
241.08597	2.3
241.12228	2.0
242.05751	2.4
242.09421	1.5
243.06555	3.3
243.10193	0.7
244.07204	2.7
245.08145	1.6
247.07512	1.9
247.09698	0.8
248.08299	3.7
248.59685	0.7
249.09082	3.6
249.12842	0.9
250.09984	2.8
251.07092	1.7
251.10669	5.1
252.07773	1.0
252.11420	6.4
253.08620	4.4
253.12251	2.6
254.05676	1.0
254.09383	1.9
255.06503	5.1
255.09991	3.3
256.07330	3.7
256.10797	0.7
257.08066	4.6
257.11768	1.2
258.08804	0.8
259.06049	2.6
259.09647	4.9
259.13339	1.0
261.09128	1.1
262.09943	1.7
263.10663	9.5
264.08133	1.2
264.11426	3.5
265.08600	11.1
265.12204	3.5
265.86493	0.6
266.09348	3.2
266.12894	1.6
267.06567	2.7
267.10162	4.6
267.13815	2.3
268.07281	0.7
268.10754	0.6
269.04504	0.9
269.08566	1.0
269.11670	5.9
270.08847	2.4
270.12396	1.5
271.09653	5.2
271.13272	0.9
272.06860	0.8
273.07468	1.9
273.11279	0.6
274.08328	1.4
275.09076	4.3
276.07806	1.3
277.08603	3.4
277.12024	1.2
278.09369	2.2
279.06558	1.5
279.10172	5.6
279.13461	1.1
280.10931	12.3
281.08142	3.6
281.11707	13.0
282.09027	1.2
282.12360	1.3
283.09677	2.7
283.13016	1.3
284.06726	2.1
284.14136	0.9
285.07635	12.6
285.10931	1.3
285.14478	0.7
286.08395	1.0
286.11908	1.0
287.09088	3.0
287.12482	1.3
288.09698	1.2
289.10764	2.0
290.11450	1.7
291.10141	6.1
292.10852	2.6
293.08148	5.3
293.11142	4.8
294.08835	3.2
294.12439	1.9
295.09695	3.0
295.13208	19.1
296.10739	0.8
296.13931	3.6
297.11221	9.6
298.08380	1.2
298.11816	1.2
299.09180	5.8
300.09912	4.7
301.10751	0.9
301.14340	1.1
302.07938	1.4
305.11673	0.8
306.12381	0.8
307.09601	2.3
307.13116	0.9
308.10492	5.5
309.11212	14.0
309.14835	3.2
310.11932	1.9
311.09161	1.7
311.12543	1.2
312.13501	7.9
313.10913	1.0
313.14313	2.8
314.11444	7.2
315.12045	0.7
317.10162	2.7
319.11761	2.1
322.12054	0.7
323.12756	20.9
324.13486	11.7
325.10651	3.6
325.14331	5.3
326.11349	1.5
326.14880	0.8
327.12064	1.1
327.15881	20.1
328.16324	1.1
329.13773	1.0
331.11734	0.8
337.14365	6.3
337.27319	0.7
338.15198	0.8
339.12210	1.6
340.12979	3.7
341.13846	17.0
341.17551	0.7
342.14337	1.3
344.16165	1.6
354.14462	1.0
355.15387	100.0
356.16135	85.3
357.13058	0.7
357.16769	6.1
359.18515	48.9
360.18719	3.3
369.17032	1.1
372.15805	0.6
387.17990	39.4
388.18176	2.5
423.22791	1.7
491.27594	0.9
509.23022	9.7
510.23251	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2163
Annotation	Kirondrine
Peak:m/z	Relative Intensity
53.03942	3.7
55.05507	0.9
55.22590	0.7
62.62224	0.8
67.05502	0.8
67.79939	0.7
71.30467	0.8
71.30854	1.3
77.03932	1.0
79.05485	1.3
81.07066	1.9
83.04983	1.0
91.05472	1.0
93.07030	1.2
93.61696	0.7
95.04958	3.3
95.08610	1.3
100.69227	0.6
105.03393	38.1
105.04511	1.6
105.07021	1.7
106.03740	1.1
107.08578	0.8
109.06507	0.8
109.10176	0.7
119.08574	1.6
121.10113	0.9
131.08575	1.6
133.10097	0.9
137.05965	1.5
139.07487	0.9
143.08522	1.3
153.00514	0.8
167.07253	0.8
167.08659	0.8
279.17520	0.8
295.13092	1.1
301.10748	1.7
314.21945	0.8
355.15366	4.4
356.16034	1.1
387.17929	1.4
451.16592	0.9
457.18430	0.8
459.18195	1.6
460.18591	0.8
473.23642	0.9
491.19867	1.2
494.18921	2.1
509.21429	100.0
510.21869	9.8
510.34311	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2169
Annotation	Kirondrine
Peak:m/z	Relative Intensity
53.03943	5.8
56.57041	4.3
68.18657	4.6
69.07880	44.9
79.21981	4.6
88.37407	4.0
95.04951	8.4
97.03423	4.2
105.03397	100.0
110.59113	5.2
157.67867	4.2
169.32066	5.1
249.38312	4.2
293.84384	4.8
318.23181	5.2
355.15417	9.5
384.31631	4.5
431.57288	4.9
460.18561	5.8
491.20642	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26516	0.3
50.31023	0.4
55.01868	0.4
59.04998	1.1
59.91745	0.3
60.78409	0.4
69.07069	0.7
69.42295	2.5
75.04467	1.4
81.07071	0.6
83.05001	0.5
84.74840	0.4
91.05512	0.4
91.57826	0.4
95.04952	0.4
95.08582	0.6
101.06020	5.8
105.03406	0.5
105.07018	1.1
123.06902	0.4
131.08524	0.7
133.10159	0.8
139.28624	0.4
141.06995	0.5
142.07761	0.5
143.08525	0.7
153.07042	0.8
155.08557	0.7
157.10139	0.9
159.08041	1.4
165.06964	1.0
167.08504	0.6
169.06377	0.6
169.10139	0.5
170.07271	0.5
171.07976	0.5
172.05159	0.4
173.09645	0.9
175.07478	0.5
178.07758	0.6
180.58322	0.4
181.06470	1.0
181.10135	0.8
182.07278	0.7
183.04535	0.6
183.08040	1.2
184.05103	0.6
187.07483	0.8
191.07114	0.6
191.08733	0.7
192.09282	0.9
193.10094	0.9
194.07138	0.6
195.08067	0.9
195.11812	0.6
196.05244	0.5
196.08684	0.5
197.06078	1.0
197.09657	0.7
198.06740	1.2
199.07565	1.5
199.11163	0.7
200.08160	0.5
201.09096	0.5
205.06482	0.4
205.10217	0.6
205.12285	0.5
207.08046	0.9
207.11725	1.0
208.08862	0.6
209.05946	0.8
209.09581	2.7
210.06801	1.6
210.10199	0.5
211.07509	2.6
212.08299	0.6
213.05496	1.8
213.09137	0.8
214.06169	0.6
215.07069	1.1
215.10707	0.6
217.10207	0.6
217.12123	0.6
218.07312	0.5
219.08070	1.7
220.08852	1.5
221.09624	2.4
222.10385	1.0
223.07602	1.5
223.11208	0.9
224.04808	0.6
224.08348	1.0
224.11774	0.5
225.05421	0.8
225.09123	3.0
225.12643	0.6
226.06279	0.8
226.09804	0.6
227.07016	5.4
227.10590	1.1
228.07831	0.8
229.04895	0.6
233.09668	1.0
234.10519	0.8
235.07530	1.3
235.11246	3.2
236.08505	0.5
236.11812	0.8
237.05472	1.5
237.09132	3.6
238.06194	1.6
238.09908	1.8
239.07040	3.0
239.10605	2.0
240.03918	0.5
240.07700	1.2
240.11417	0.5
241.05017	3.0
241.08594	2.0
241.12245	1.4
242.05788	2.7
242.09406	0.7
243.06487	1.4
243.10190	0.7
247.07626	1.6
248.08286	2.5
249.09131	4.8
250.06140	0.6
250.09851	1.9
251.07048	2.0
251.10701	3.4
252.04085	0.5
252.07751	0.9
252.11354	2.0
253.08565	2.5
253.12125	2.1
254.05666	0.5
254.09329	1.6
255.06537	1.7
255.10138	2.8
256.07275	3.6
256.10974	0.6
257.04416	0.5
257.05273	0.5
257.08069	4.8
257.11734	1.2
258.08978	0.5
259.05981	1.9
259.09732	2.3
259.13199	1.0
260.06662	0.5
261.09097	0.9
262.09937	1.0
263.07431	0.9
263.10678	5.2
264.07755	1.2
264.11295	2.0
265.08597	6.8
265.12378	3.5
266.05936	2.2
266.09378	4.0
266.12570	0.8
267.06534	4.8
267.10248	1.7
267.13513	2.1
268.10974	0.8
269.04517	1.4
269.08136	1.2
269.11774	3.1
270.05273	1.3
270.08859	1.7
270.12189	0.6
271.06256	0.7
271.09634	2.8
271.13226	0.5
272.06958	0.7
272.10080	0.8
273.07584	1.0
275.09134	0.9
276.07724	0.5
277.08600	3.6
277.11685	0.6
278.09396	1.4
279.07098	0.7
279.10165	4.8
280.07242	1.7
280.10892	4.4
281.08127	3.4
281.11734	9.4
282.08826	1.2
282.12369	1.4
283.06522	0.6
283.09686	1.8
283.13263	0.8
284.06781	7.9
284.10083	0.4
285.07602	12.7
285.11090	1.3
287.05936	0.5
287.09180	1.6
287.12512	0.9
288.09778	0.5
289.10757	1.0
291.10086	3.8
292.10934	1.7
293.08087	2.8
293.11697	6.2
294.08868	2.3
294.12399	3.3
295.09662	3.0
295.13297	9.7
296.10873	0.5
296.13986	1.8
297.11282	5.6
297.14584	0.8
298.08505	0.9
298.11935	1.6
298.15146	0.5
299.05991	0.8
299.09180	8.1
299.12411	0.7
299.82565	0.5
300.09842	5.4
301.10895	0.6
301.14343	2.2
302.08041	0.7
303.08768	0.6
305.11801	0.9
306.12360	1.1
307.09717	4.4
307.13077	0.8
308.10492	4.7
309.07538	0.8
309.11182	14.0
310.11816	3.3
311.09146	1.6
311.12766	2.3
312.13541	3.6
313.10696	1.1
313.14313	2.6
314.11456	9.6
315.11908	0.8
317.10159	1.8
319.11871	1.2
322.12048	4.6
323.12759	12.2
324.13522	3.6
325.10635	4.5
325.14352	6.8
326.11441	1.9
326.14929	0.9
327.15891	7.2
329.13889	1.1
337.14377	1.4
340.13049	13.0
340.16986	0.9
341.13809	29.0
342.14197	1.5
344.16153	2.8
345.13300	0.7
355.15396	56.5
356.16150	100.0
357.16623	7.0
359.18506	35.6
359.25037	0.6
360.18796	2.5
387.18002	27.3
388.18356	2.2
401.24850	2.0
443.26001	0.5
461.26981	2.6
486.98776	0.5
509.26111	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46367	1.7
55.01873	2.6
55.05515	3.2
57.03440	3.9
61.02906	2.4
66.08090	1.5
66.49648	1.3
67.05501	6.1
69.03430	8.6
69.07060	2.9
70.59977	4.2
71.04974	2.5
71.73876	1.6
73.02914	10.9
79.05495	7.4
81.03432	1.9
81.07067	7.2
83.04984	3.2
85.02903	15.2
85.06529	1.7
86.44080	1.6
91.04947	2.8
91.05482	23.5
92.53761	1.6
93.07037	11.0
94.04201	3.3
95.04974	5.1
95.08600	7.2
97.02897	9.7
97.06540	2.9
103.05486	4.4
105.03395	1.4
105.07023	12.6
107.04966	7.6
107.08614	10.7
109.06506	7.9
109.10155	5.4
111.04423	3.9
111.08103	2.6
115.03931	3.5
115.05469	5.7
117.06992	3.4
119.04916	11.6
119.08582	3.0
121.06505	9.5
121.10162	4.7
122.03664	10.1
123.04440	3.2
123.08076	5.7
123.11703	3.3
127.03868	3.6
128.06244	2.9
129.07008	9.5
131.04898	7.1
131.08568	4.3
133.04980	4.7
133.06491	3.1
133.10155	2.5
135.08055	4.8
135.11696	6.9
136.05174	2.1
137.05975	100.0
137.09633	3.2
138.06316	3.4
139.03896	1.8
139.11169	2.7
143.04895	2.5
143.08559	2.0
144.05603	1.5
145.04988	6.1
145.06487	5.4
145.10081	2.2
146.03654	2.1
146.07283	4.3
147.04405	3.5
147.08008	4.1
148.05135	2.2
149.05992	6.2
149.09567	2.3
151.03943	4.1
151.07542	51.6
152.06288	1.5
153.12685	2.0
155.08578	3.3
157.06520	4.8
159.08076	5.9
160.05206	1.8
161.05981	66.9
161.09589	16.2
163.06290	2.4
163.07521	10.5
163.11174	9.0
165.05530	2.1
165.06953	2.8
165.09096	3.7
167.07059	5.2
167.08453	3.0
171.11725	2.4
173.09694	2.6
174.06744	5.4
175.07532	23.9
177.05505	1.7
177.09155	3.7
179.08588	1.7
179.18027	2.5
181.04962	2.7
181.06502	4.1
181.10568	2.5
181.12210	19.8
181.48770	1.5
182.07401	1.4
189.07306	2.6
189.09099	34.9
191.07008	1.6
193.06538	1.5
195.08063	4.1
195.10178	14.8
196.08859	2.0
197.06122	1.6
197.09662	3.0
198.06827	1.7
199.07503	3.7
199.13289	24.7
199.15126	1.9
201.09290	1.9
205.06421	1.6
205.08540	2.1
205.10216	1.8
207.08205	1.9
207.10144	38.8
207.11948	3.5
209.09596	1.7
210.06902	2.0
211.07556	2.0
213.09096	2.7
219.08015	2.9
221.06041	2.3
222.06671	2.6
223.07506	3.5
223.11198	1.9
224.08191	1.8
225.09059	4.7
232.08842	3.8
233.09718	1.7
234.06789	4.9
235.07521	4.1
236.08286	2.7
237.09119	6.9
237.12677	1.7
239.10751	3.8
241.08696	1.8
245.09541	1.8
247.07590	1.7
249.09164	5.3
250.06274	2.2
251.07042	2.0
251.10539	2.4
252.07965	2.3
253.08591	5.3
253.12315	1.9
255.06563	2.2
259.09848	1.9
263.10532	2.3
265.08524	10.9
266.09149	1.7
267.10068	2.9
269.08319	2.2
270.08813	2.9
274.10168	2.2
277.08664	7.3
277.11865	1.7
279.10214	4.2
283.09695	5.6
285.11197	5.0
291.09970	2.1
293.11722	1.7
295.09720	4.2
296.10446	2.2
297.11276	13.2
299.12918	3.5
305.11664	3.7
308.10413	2.7
309.11206	5.9
311.12723	14.3
317.13968	3.2
323.12811	8.3
328.13269	3.3
329.13541	2.2
337.14197	13.0
339.12701	2.1
341.13852	2.3
347.07635	7.7
349.14151	3.5
353.13614	2.8
355.15488	8.7
367.15399	5.4
371.15045	1.9
395.08929	1.5
399.23254	1.6
443.21838	3.1
445.23795	2.7
455.22015	2.1
473.23032	3.8
479.20297	4.1
491.24313	3.3
509.25433	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91787	1.0
53.03944	1.8
55.01868	3.0
55.05516	9.2
57.03433	2.1
57.07082	1.4
58.08227	1.0
65.03963	1.6
67.05168	1.7
67.05505	14.9
69.03433	3.5
69.07069	5.6
69.85661	4.9
71.01342	1.2
71.04991	2.3
75.25941	1.0
77.03922	1.4
77.11007	1.0
79.05492	14.2
81.03419	8.9
81.07059	17.7
83.04980	4.0
83.08614	5.1
85.02894	3.2
85.06530	2.2
85.07690	0.9
91.05479	20.6
93.07041	14.6
94.04198	4.4
95.04971	10.9
95.08614	11.2
97.02899	2.0
97.06519	2.7
97.10179	3.6
99.00835	2.0
99.04469	2.1
103.05490	2.1
105.07027	13.3
107.04952	5.0
107.08589	10.9
109.06519	8.8
109.10175	6.5
111.04437	4.5
111.08073	2.6
115.05447	4.5
117.07003	6.3
119.04959	5.9
119.08586	7.6
121.06511	8.1
121.10146	6.9
122.03643	6.8
123.04446	2.3
123.08063	5.7
123.11707	3.8
125.09656	1.8
128.06248	2.6
129.06987	6.7
131.04919	2.9
131.08577	7.0
133.06493	4.0
133.10175	5.6
134.41805	1.1
135.08055	4.9
135.11713	2.5
136.05133	1.6
137.05975	100.0
138.06322	2.2
139.03903	1.2
142.07666	1.4
142.56462	1.0
143.04951	1.7
143.08586	4.1
145.06473	4.5
145.10139	4.1
146.03545	1.6
147.04387	1.8
147.08034	3.3
147.11668	2.7
149.05983	2.6
149.09612	2.5
151.03914	3.2
151.07545	38.3
151.08775	2.0
151.11160	2.3
153.05434	1.8
155.08568	4.4
157.06500	3.4
157.10097	2.7
159.08054	2.9
159.11710	2.6
161.06000	13.7
161.09595	5.7
163.07535	5.3
163.11195	2.1
165.06964	2.6
165.09120	3.3
167.07118	1.3
167.08525	2.1
168.09419	1.2
169.10130	2.2
171.08026	1.9
171.11674	1.7
173.09781	1.2
173.13298	2.0
174.06862	1.7
175.07527	7.6
175.11221	1.4
177.05420	1.2
177.09128	5.5
179.08626	2.6
179.10657	1.3
181.04926	1.8
181.10129	2.7
182.07211	1.6
182.10739	1.2
183.11708	1.4
187.07545	1.7
189.09094	12.7
190.07686	1.6
191.08636	1.8
191.10693	1.9
193.10217	2.4
193.12248	7.2
195.06488	7.2
195.08199	2.4
195.10147	23.8
195.11617	1.6
197.09648	1.6
197.13341	1.5
199.11171	1.9
201.09140	1.2
203.10597	1.3
205.06480	3.0
205.10181	1.6
206.07237	2.1
207.08223	2.3
207.10213	3.9
208.08905	1.5
209.08002	1.6
209.09787	2.4
209.11588	1.4
211.07449	1.3
211.11363	1.9
211.13152	7.4
219.08113	1.7
219.10088	2.0
219.13773	2.2
221.05916	2.1
222.06708	1.7
223.07568	2.5
223.09633	4.7
223.13184	1.2
233.06009	1.7
233.09563	1.5
234.06734	2.0
235.07436	1.9
237.09161	6.5
237.11179	2.7
239.14287	1.5
240.07915	1.5
245.09563	1.9
247.07573	1.2
249.09091	2.1
249.11261	1.8
250.06082	1.6
251.10632	1.3
253.08604	3.0
255.13921	2.1
257.15402	2.0
259.54141	1.1
265.08514	12.2
267.10083	1.9
275.10400	1.2
277.05890	1.2
277.08475	5.1
283.09607	4.0
285.11371	5.6
295.09708	1.5
296.10617	1.2
297.11157	17.5
305.11685	1.6
311.12766	9.6
317.13861	4.9
317.17630	3.3
323.12714	4.0
335.18640	2.2
337.14346	3.6
341.13852	1.7
343.15393	2.4
367.22357	1.8
385.23618	1.8
429.30112	1.4
445.23962	2.4
447.18213	1.3
455.21902	1.9
455.27728	1.5
461.19653	1.3
463.24722	2.6
473.22873	3.5
473.28970	5.1
479.20731	2.4
491.23996	4.6
491.30017	8.8
509.26276	9.3
509.35156	2.3
514.88617	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
58.94778	0.9
65.03949	1.1
67.05531	1.4
68.02597	1.1
79.05498	4.4
81.07059	1.7
91.05482	17.4
91.06009	1.6
93.07059	2.1
94.04211	4.5
95.04961	2.5
103.05495	3.9
105.07046	4.6
107.04975	7.1
108.05819	1.1
109.06515	2.1
115.05434	4.9
116.06287	0.9
117.07026	4.1
119.04939	6.8
119.08576	1.9
121.06519	4.9
122.03668	9.3
123.08095	3.8
128.06210	2.0
129.06993	11.7
131.04941	6.3
131.08585	1.4
133.06525	2.9
135.04428	1.9
135.08064	3.2
136.05217	1.9
137.05981	100.0
138.06374	2.5
141.10841	1.0
143.04941	2.7
145.06509	3.8
146.03679	1.5
146.07324	2.1
147.04411	2.3
147.08067	3.9
149.05988	5.9
149.09598	1.5
150.06781	1.8
151.03931	3.0
151.07544	44.1
152.07938	1.6
157.06499	5.3
159.08084	1.3
160.05246	3.2
161.05988	44.8
161.09627	7.4
162.06476	1.1
163.07521	7.4
165.05615	1.2
165.07001	2.6
165.09151	2.9
167.07118	2.2
173.06056	1.3
174.06847	4.2
175.07541	21.6
176.08163	1.3
177.07024	1.3
177.09088	5.2
178.07834	2.4
179.07101	1.8
179.08574	2.7
181.06622	1.7
182.07257	1.4
187.07541	2.5
189.09113	25.1
190.07803	2.0
191.08612	1.6
191.10609	1.7
193.06607	1.7
194.07295	1.5
195.08250	3.1
195.10222	16.5
197.05894	1.7
202.07896	1.5
205.06537	3.9
206.07324	1.6
207.08286	1.9
207.10141	15.3
209.09662	1.8
210.06837	1.8
211.07568	2.4
213.09149	1.1
218.07393	1.3
219.08136	3.6
221.06027	2.8
222.06779	2.7
223.07579	3.1
223.11249	1.2
224.08282	2.4
225.09103	2.6
227.07011	1.6
227.10573	1.4
231.08057	1.5
233.06033	1.6
233.09598	1.4
234.06822	3.5
234.10335	1.3
235.07549	4.7
236.08432	1.3
237.05478	2.1
237.09123	6.4
238.06219	2.1
239.07010	2.7
239.10635	1.8
247.07613	2.5
248.08293	2.9
249.09035	7.3
250.09888	1.8
251.07057	3.6
251.10698	3.0
252.07854	2.0
253.08510	5.6
255.06641	1.9
255.10194	2.3
261.09253	2.0
262.06232	2.5
262.09787	1.4
263.06973	1.1
263.10651	1.6
264.07864	1.2
265.08527	11.0
267.10144	2.0
269.08133	2.6
269.11688	1.6
270.08972	3.5
273.09195	1.5
275.10617	2.1
277.08643	7.6
277.12070	2.0
279.06796	1.1
279.10199	4.0
281.08221	2.5
283.09613	5.3
284.10355	1.7
285.11252	5.7
290.09479	1.1
291.10248	3.4
293.08417	1.3
293.11676	2.3
295.09622	1.7
296.10336	2.4
297.11237	15.8
299.12814	4.6
305.11765	3.0
308.10269	1.6
309.11276	5.3
311.12790	18.8
317.13962	3.5
323.12784	6.6
325.14453	2.0
329.13931	1.9
335.12659	1.8
337.14343	15.2
338.14447	1.9
343.15433	2.9
349.14240	2.9
355.15445	11.9
367.15332	7.0
455.23297	1.1
459.17776	1.1
461.19254	1.6
479.20590	3.1
509.21384	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01875	1.8
55.47013	0.9
59.00180	0.9
65.03935	1.4
67.05495	1.5
77.03920	1.0
79.05495	5.1
81.07064	1.3
91.05486	15.0
92.05770	1.0
93.07043	1.4
94.04192	4.5
95.04984	1.5
96.66920	0.9
103.05472	5.1
105.07018	4.8
107.04956	5.6
107.08578	1.8
108.05756	1.4
109.06519	2.5
115.05457	4.1
116.49115	0.9
117.07018	3.8
119.04958	8.0
121.06490	6.1
122.03664	10.2
123.08073	2.8
128.06244	4.5
129.07011	8.1
131.04929	7.5
131.08540	2.8
133.02866	1.5
133.06483	2.2
135.04390	1.3
135.08063	2.9
136.05157	1.5
137.05980	100.0
138.06325	2.2
143.04906	2.6
144.05708	1.5
145.06447	5.7
146.03642	2.6
146.07254	2.3
147.04417	2.9
147.08041	2.8
148.05150	3.0
149.06020	5.0
149.09578	1.3
150.06754	1.7
151.03899	3.8
151.07547	40.9
153.06940	1.4
157.06491	6.5
159.08005	1.8
159.09209	1.2
160.05182	2.5
161.05988	65.8
161.09601	11.3
162.06517	2.3
163.07541	10.1
165.05673	0.9
165.07016	3.7
165.09123	3.7
167.07069	1.4
167.08444	1.1
169.06473	1.1
173.05942	1.2
174.06783	5.6
175.07552	27.0
177.09090	8.6
178.07784	1.5
179.07124	1.0
179.08582	2.2
181.06471	2.2
183.08023	1.0
183.51546	0.9
187.07538	3.1
189.09106	37.2
190.07851	1.1
190.09444	1.9
191.07011	5.1
191.08498	2.3
191.10570	1.3
193.06503	1.9
194.07269	3.1
195.08113	3.2
195.10161	21.6
195.11975	1.5
197.09518	1.0
199.07623	1.4
203.08633	1.1
203.10547	1.2
205.06465	3.8
205.08432	1.6
206.07237	1.6
207.08121	3.3
207.10150	31.1
208.10530	1.2
209.05977	1.7
209.09535	1.9
210.06786	2.1
210.87897	0.9
211.07584	1.9
213.09134	1.3
218.07294	1.2
219.08125	3.5
219.10229	3.6
220.08926	1.3
221.05972	2.6
221.09575	2.0
222.06750	1.8
223.07530	2.9
224.08327	2.0
225.09087	3.5
227.07007	1.0
227.10774	1.3
231.08069	1.7
233.06001	1.5
233.09557	1.4
234.06741	2.9
235.07515	3.5
236.08293	2.2
237.09135	7.2
238.06265	1.3
239.10728	2.8
241.08609	2.1
245.09695	1.7
247.07521	2.4
248.08264	2.0
249.09160	6.7
250.06213	1.6
250.09698	1.2
251.07037	2.9
251.10567	3.2
252.07753	2.1
253.08603	5.8
255.06566	3.3
255.10124	1.2
259.07440	1.5
261.09103	1.9
262.06223	1.6
262.09766	1.0
263.10632	2.2
264.07813	1.5
265.08597	11.2
266.09082	2.4
267.06506	0.9
267.10172	4.4
268.07184	1.2
269.08035	1.6
270.08768	2.5
271.09601	1.9
277.08572	9.9
277.12000	2.1
279.10046	5.4
280.10892	1.5
281.08087	2.7
281.11292	1.0
283.09558	5.9
284.10449	2.7
285.11179	8.2
287.12915	2.1
289.12354	1.2
291.10104	2.8
293.08133	2.1
293.11682	2.1
295.09729	2.9
295.12976	1.2
296.10394	2.3
297.11243	18.3
298.11606	1.5
299.12933	4.9
305.11740	3.4
308.10394	3.2
308.13818	0.9
309.11261	5.9
311.12775	21.0
312.13309	1.4
313.14481	1.8
317.14197	4.5
323.12943	8.7
325.14432	1.3
329.13696	0.9
337.14395	15.6
341.13876	3.3
343.15317	2.5
347.07565	1.7
349.14459	4.7
355.15414	13.2
367.15421	7.3
415.15494	1.1
429.16849	1.5
433.16281	1.6
435.18140	1.4
479.20474	3.9
491.20621	1.8
509.21597	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2172
Annotation	Mortonin C
Peak:m/z	Relative Intensity
50.10795	4.1
53.03934	11.6
55.05501	11.5
57.07075	8.7
67.05489	17.3
69.07048	7.2
71.08628	4.8
79.05489	7.5
81.07059	17.8
83.08611	6.3
85.10211	3.8
91.05479	10.8
93.07062	8.2
95.04976	12.9
95.08614	15.4
97.10147	4.2
99.11606	4.8
105.03392	100.0
105.04457	5.5
105.07011	7.6
107.08598	7.9
109.10146	8.7
119.08604	6.8
121.10171	5.4
125.09629	3.8
133.10110	12.2
134.51842	4.0
135.11655	5.9
136.60258	4.5
143.08542	3.9
150.41795	3.9
151.84354	4.3
153.05457	4.4
154.11226	4.0
157.10039	4.2
159.11746	5.4
355.15286	6.5
387.17871	8.2
465.34207	4.3
491.20432	22.4
509.25116	6.3
509.31738	4.6
509.37012	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68441	3.2
51.02382	3.4
53.03944	11.0
55.05510	4.9
56.88550	3.0
57.07080	6.8
67.05493	15.8
69.07066	5.0
79.05495	5.3
81.07056	13.4
82.00052	3.1
83.08611	7.1
91.05488	5.7
93.07030	5.4
95.04961	13.7
95.08595	12.5
97.10149	3.2
105.03390	91.1
105.04494	4.0
105.07027	8.8
107.08590	7.7
109.10172	5.2
119.08573	8.0
121.10117	5.8
131.08559	5.2
133.10103	5.1
143.08582	3.9
145.10165	3.9
148.45482	3.3
155.08533	4.0
225.01819	3.2
249.80768	4.1
339.46964	3.4
387.17798	4.0
412.05338	4.8
491.20386	13.6
509.30292	100.0
509.36993	6.1
510.30408	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01867	1.2
55.05526	0.8
57.03432	0.4
65.03936	1.1
67.05502	2.3
68.52333	0.3
68.99795	0.3
69.03429	9.4
69.03807	0.5
69.14279	1.3
69.14705	1.6
71.04993	0.4
79.05496	14.5
81.03426	0.7
81.07057	80.4
82.07386	1.3
83.04990	0.4
85.02895	0.6
88.36594	0.4
91.05477	9.2
93.07058	3.2
95.04964	5.0
95.08616	1.9
96.05761	0.4
97.02908	1.0
97.06537	0.6
98.22635	0.8
103.05487	0.8
105.03366	0.4
105.07027	7.0
107.04956	1.0
107.08604	3.4
109.02885	0.8
109.06520	26.7
109.10143	0.5
110.06843	0.6
111.04427	1.6
115.05456	2.3
116.06240	1.1
117.07026	3.8
119.04942	1.5
119.08576	3.3
119.30583	0.3
121.06496	2.8
121.10149	1.0
123.04439	1.7
123.08051	0.8
125.06019	0.6
128.06190	2.0
129.07008	4.1
130.07785	0.6
131.04936	0.6
131.08565	4.4
132.05708	1.2
133.06496	5.7
133.10115	1.0
135.04428	0.5
135.08035	3.8
137.05974	100.0
138.06325	2.1
139.03909	0.5
141.06984	3.3
142.07764	2.0
143.08549	4.9
144.09309	0.5
145.06496	7.4
145.10112	3.2
146.07234	1.3
147.04425	0.6
147.08037	4.6
149.05957	2.3
149.09648	0.8
151.03940	0.4
151.07497	2.0
153.05582	0.6
153.07034	1.7
154.07681	0.7
155.08557	4.8
156.09372	0.9
157.06505	1.2
157.10092	2.7
158.07271	2.2
159.08054	22.2
159.11714	1.3
160.08556	1.3
161.06001	1.9
161.09599	3.1
162.06779	0.6
163.07542	3.8
165.05623	0.7
165.07037	1.9
165.09129	0.6
166.07805	0.8
167.07233	0.5
167.08536	2.1
168.09369	1.3
169.06479	1.0
169.10086	3.3
170.07225	0.4
170.15388	0.4
171.08040	4.3
171.11693	1.1
172.08809	1.5
173.05997	1.2
173.09647	4.1
174.10292	0.4
175.07556	3.8
175.11198	1.1
176.08139	0.5
177.05528	0.6
177.09024	1.0
178.07822	0.9
179.07027	1.2
179.08598	1.8
180.09209	0.7
181.06497	0.7
181.08591	0.6
181.10062	3.1
182.07269	1.0
182.10884	0.6
183.08057	3.5
183.11693	3.7
184.08813	1.2
185.06062	0.7
185.09625	4.1
185.13254	0.6
186.06776	0.5
186.10417	0.5
187.07555	2.5
187.11165	1.7
188.08372	0.9
189.09088	2.3
191.07071	1.6
191.08702	0.5
191.10661	0.7
192.09348	0.7
193.08444	0.5
193.10078	2.9
194.10855	0.6
195.08064	1.5
195.11716	2.6
196.08904	1.9
196.12250	0.4
197.09628	4.3
197.13272	1.2
198.06812	0.6
198.10391	1.4
199.07545	1.5
199.11200	4.9
199.14969	0.5
200.11848	0.8
201.09126	1.4
201.12755	1.1
203.07028	1.2
203.10582	2.4
205.10193	0.9
206.10925	0.6
207.08208	0.5
207.11720	1.7
208.08800	0.6
209.09607	2.8
209.13264	1.0
210.10378	1.1
211.07597	1.2
211.11177	10.0
212.08359	0.8
212.11801	1.4
213.09099	2.1
213.12735	2.8
215.06987	0.4
215.10623	1.7
217.08488	0.9
217.12041	0.6
218.10919	0.5
219.11836	0.7
220.12589	0.4
221.09628	1.6
221.13234	1.3
222.10350	0.5
223.07671	0.7
223.11191	2.7
224.12001	0.6
225.09157	1.9
225.12691	3.8
226.09839	1.0
226.13553	1.7
227.10664	1.7
227.14230	1.0
229.08492	0.8
229.12300	1.2
231.10014	3.8
233.09731	0.9
235.11168	1.5
236.11938	1.3
237.09087	0.8
237.12680	2.0
238.09874	0.4
238.13319	0.4
239.10669	4.3
239.14282	0.7
241.12212	4.3
243.09961	0.4
245.11621	0.9
247.11301	0.9
249.09123	0.7
249.12720	0.9
251.10677	1.2
251.14417	0.6
253.12238	3.2
254.13013	17.5
255.10107	0.5
255.13768	1.8
257.11755	0.5
260.12146	0.4
261.12683	0.8
263.10742	1.1
263.14380	1.5
264.11563	1.0
265.12253	1.4
267.10254	1.0
267.13828	0.7
269.11807	1.4
274.13318	0.5
277.12253	0.7
278.13120	0.5
279.14050	0.6
279.17444	0.5
281.11841	1.0
281.15448	0.5
282.12540	1.2
283.13324	1.4
285.11395	0.4
291.13507	0.7
295.13211	0.5
298.13272	0.5
299.12903	1.0
300.13593	1.1
303.12640	0.4
303.17529	0.4
307.16965	1.6
309.15097	1.3
312.14218	0.4
313.15570	0.5
315.13858	0.7
315.17413	0.5
317.11563	0.4
317.15329	0.4
319.13275	0.4
325.17960	0.9
327.17212	0.5
331.15424	1.1
345.18478	1.2
355.16925	1.3
357.14676	0.5
359.16409	0.6
361.14352	0.4
363.19583	1.6
373.17969	4.3
374.18289	0.4
383.16504	0.6
391.19028	25.2
392.19360	1.9
401.17468	4.6
403.18896	1.8
409.20166	2.3
417.20798	0.4
419.18500	22.2
420.18887	2.0
421.20151	1.1
431.18454	1.1
433.20096	0.8
437.19595	65.8
438.19916	6.0
445.20190	0.4
449.19766	2.4
463.21167	1.3
465.22787	0.7
467.20609	4.1
491.20667	1.3
509.21603	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08000	1.9
69.89523	8.3
70.01748	2.3
91.77944	2.0
92.77920	1.9
98.23277	2.5
103.14594	1.8
137.05956	3.3
162.49858	1.8
195.11790	2.1
204.98329	2.1
225.16191	1.7
266.29236	2.3
304.08585	2.0
423.22845	18.9
437.24445	4.0
449.26532	3.6
465.23950	5.9
509.22974	100.0
509.30814	8.3
510.23233	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.251
Annotation	Dihydroornativolide
Peak:m/z	Relative Intensity
52.51689	0.5
53.03931	0.7
54.93616	0.5
71.31154	0.5
71.54410	0.5
83.04937	0.7
83.95975	0.6
95.04940	1.0
105.02803	0.7
105.03391	5.5
105.04482	0.6
105.06969	0.5
106.03706	4.0
107.03957	1.0
131.08527	0.5
228.11150	0.8
240.37640	0.5
323.16193	0.7
348.49054	0.6
365.20813	2.0
367.18793	94.2
368.19144	5.9
381.20285	2.8
388.52194	0.5
405.24081	6.0
406.24304	0.7
407.21542	0.5
409.19955	1.3
419.25525	1.2
421.27045	2.8
423.25040	39.8
424.25528	3.4
429.23669	0.6
437.26675	1.3
447.25058	2.1
463.24545	1.5
465.26086	21.2
466.26508	1.9
479.23831	0.6
491.24017	7.3
492.24512	0.8
509.25092	100.0
510.25406	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.05515	20.5
58.99267	3.9
64.77555	4.0
67.05504	32.8
69.07056	9.2
69.29316	7.9
69.29716	22.7
79.05486	26.7
81.07057	31.0
83.04972	29.3
83.08620	5.0
85.06542	5.4
86.37311	4.2
89.06000	4.0
91.05472	32.6
93.07042	55.7
95.04977	14.7
95.08607	59.7
95.09158	5.5
97.06506	5.6
100.73432	3.8
105.07028	53.0
107.04963	4.6
107.08613	35.0
109.06503	15.5
109.10157	10.6
111.04465	13.0
111.08081	14.2
112.76785	4.0
117.07011	17.4
119.04958	9.3
119.08588	39.6
121.06490	20.6
121.10153	10.4
123.08051	27.3
128.06241	8.8
129.06990	14.5
131.08533	25.5
133.06483	10.3
133.10158	21.4
135.08051	20.1
135.11717	9.8
136.79083	4.1
137.05966	6.2
139.07556	7.7
141.06970	7.7
142.07790	15.7
143.08560	31.3
144.09291	5.2
145.06525	10.7
145.10117	39.3
147.04343	4.7
147.08067	11.8
147.11693	10.8
149.06009	7.7
149.09680	6.9
152.28006	3.9
155.08553	24.3
156.09320	8.7
157.10103	34.8
158.07300	6.8
159.08075	17.3
159.11697	22.8
161.05978	5.0
161.09639	17.5
163.11192	10.2
165.07002	11.7
166.07712	5.6
167.08591	12.8
168.09270	4.6
169.10106	20.9
171.08063	17.7
171.11714	15.6
173.09660	32.3
173.13341	4.1
175.11186	15.2
178.07767	4.3
179.08560	10.4
180.09302	5.7
181.10114	18.3
182.10829	5.2
183.08104	10.6
183.11771	18.4
185.09599	17.1
185.13293	13.3
187.11205	11.2
189.12727	6.7
191.08772	3.8
192.09312	10.2
193.10144	17.1
194.10899	8.7
195.07928	9.9
195.11668	28.2
196.08922	5.1
197.09596	10.5
197.13274	10.9
199.07457	7.2
199.11224	12.1
201.09100	17.0
201.12897	5.5
202.07803	4.4
205.10097	10.0
206.10890	9.5
207.11676	17.5
208.12631	4.7
209.09549	21.7
209.13258	15.4
210.10362	6.2
211.11148	13.4
211.14825	9.8
213.09088	6.3
213.12733	14.9
215.10670	6.7
217.10127	8.1
218.10971	4.9
219.11798	10.3
220.12560	4.6
221.09735	9.3
221.13254	10.7
222.10411	7.7
223.11230	26.2
223.14818	11.8
224.11847	10.8
225.09247	5.7
225.12814	26.8
227.07057	8.6
227.10710	8.7
227.14297	7.8
229.12373	6.3
230.10750	5.6
231.11661	8.8
232.12466	6.9
233.09593	5.6
233.13332	9.2
235.11127	11.7
235.14847	6.8
236.11880	6.5
237.12712	20.0
237.16420	10.7
239.10611	7.9
239.14377	10.5
241.12256	11.0
241.15923	4.8
243.13989	4.8
244.12462	7.0
245.13293	10.6
246.13922	5.6
247.14810	14.0
248.11957	5.9
249.12709	15.8
249.16531	5.1
251.10716	16.8
251.14267	11.3
253.12199	14.0
253.15883	4.5
259.11151	5.3
261.12781	9.8
261.16461	8.9
263.10599	4.9
263.14313	14.0
263.17798	6.2
264.15152	4.1
265.12363	7.1
265.15921	15.0
267.13791	13.7
273.12570	4.7
275.14389	10.2
276.15115	6.8
277.12601	4.7
277.15829	15.3
279.14041	6.5
279.17474	20.7
281.15341	4.2
281.18820	7.3
285.14917	7.6
289.12051	4.6
289.15918	12.5
291.13934	7.2
291.17371	8.3
292.18262	3.9
293.15323	7.8
293.19067	5.6
295.17096	5.1
299.14359	4.1
303.17224	4.8
305.15353	14.7
305.19016	10.1
307.13458	6.6
307.16837	36.4
308.17834	9.8
309.18610	4.8
311.16336	5.4
319.16870	7.3
325.17963	20.9
326.18808	12.5
333.15005	7.5
333.18488	27.7
335.16263	27.5
336.16748	4.1
345.18460	5.5
347.20197	5.0
348.20718	5.3
351.16003	4.6
351.19626	46.3
373.17551	4.5
373.25299	6.3
395.18533	8.2
401.24750	27.9
403.26230	5.3
411.23248	7.6
419.26080	25.8
421.27353	8.6
423.25040	31.9
429.24362	48.7
430.24289	5.6
437.26721	6.8
445.23511	6.4
447.19513	7.9
447.25311	100.0
448.25653	9.4
455.22006	7.4
463.24576	4.4
465.26321	75.9
466.26620	7.9
473.23203	53.5
491.23911	26.1
509.24707	76.7
510.25778	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.5
55.05511	14.8
60.40469	4.2
67.05502	31.5
69.07082	6.4
70.16664	4.3
70.17312	12.4
77.37094	4.0
79.05485	19.3
81.07056	31.4
83.04980	30.6
83.08591	4.7
84.60583	4.6
91.05476	34.8
93.07037	36.7
95.04964	18.4
95.08611	61.5
105.07021	34.4
107.04964	8.0
107.08585	22.5
109.06506	23.5
109.10151	6.8
111.04469	15.6
111.08073	14.1
115.05491	7.0
117.07036	16.2
119.08563	32.3
121.06520	14.8
121.10136	11.4
123.08090	22.4
128.06230	13.5
129.07014	16.2
130.07788	4.7
131.08565	29.5
133.06487	9.0
133.10088	20.5
135.04442	10.0
135.08051	11.3
135.11786	4.8
137.05984	19.4
139.07570	11.5
141.06990	12.5
142.07782	15.2
143.08572	45.2
145.10127	62.3
147.08051	18.6
147.11703	10.2
149.06000	14.6
153.05530	5.8
153.06958	7.0
154.07823	10.2
155.08562	16.7
156.09254	9.3
156.54095	3.6
157.10132	34.0
159.08046	11.4
159.11691	29.5
161.09601	12.2
163.07538	5.7
163.11107	4.0
165.07002	11.5
166.07739	6.1
167.08575	12.4
169.10132	28.4
170.10887	5.2
171.08052	8.2
171.11664	19.7
173.09650	13.2
175.07597	7.4
175.11211	8.8
179.08559	11.8
181.06346	5.0
181.10149	16.5
183.08081	8.3
183.11708	17.0
184.12593	6.1
185.09648	15.0
185.13312	16.6
187.11189	24.7
189.12737	6.6
192.09421	5.4
193.10118	19.0
194.10922	9.4
195.06497	9.2
195.08099	9.7
195.11691	18.6
197.09663	12.9
197.13251	9.2
199.07581	9.6
199.11235	15.7
201.09108	4.7
203.06982	5.5
203.08687	5.2
205.10199	9.4
206.10968	9.3
207.08188	5.6
207.11731	19.3
208.08759	7.5
208.12462	5.5
209.09682	13.1
209.13249	13.9
210.10294	5.1
211.11177	13.6
211.14857	4.6
213.09250	4.9
213.12790	10.9
215.10609	4.7
218.10823	8.2
219.11682	13.5
220.08708	5.7
220.12395	10.2
221.09602	4.8
221.13319	10.2
223.11197	19.2
223.14757	4.8
225.12779	10.2
230.10826	5.4
231.11728	9.7
232.12453	5.6
233.09706	10.5
233.13219	12.1
235.11160	15.4
235.14807	12.6
237.12817	17.0
237.16359	7.2
238.24905	4.2
239.14211	7.0
241.12253	8.1
243.11635	6.4
244.12392	5.1
245.13298	5.6
246.14021	4.6
247.11319	10.3
247.14821	9.0
248.11922	7.1
249.08945	5.2
249.12709	14.0
249.16444	10.8
250.13596	4.9
251.10599	6.5
251.14334	13.8
253.12263	11.3
253.15845	6.8
259.14801	7.1
261.12784	14.8
261.16196	7.0
262.13647	7.9
263.10617	6.1
263.14423	12.8
263.18085	6.8
265.12286	6.9
265.15982	15.1
267.13867	4.7
277.12320	4.5
277.15979	10.5
279.13913	7.6
279.17413	9.6
281.15381	13.2
283.16977	19.7
287.14206	9.7
288.15106	5.5
289.12567	7.0
289.15912	12.4
291.13895	7.2
291.17325	7.9
305.15326	18.2
307.13351	8.0
307.16821	9.7
309.14911	6.1
309.18353	5.1
321.18588	5.3
323.16299	8.5
325.14319	6.9
327.19568	9.4
331.87155	4.7
333.14862	7.2
333.18420	6.5
335.16406	4.4
351.15839	8.1
353.17599	5.9
369.16949	7.4
377.17459	8.2
403.22458	4.5
407.24976	4.5
417.24017	12.8
429.24649	6.1
431.71683	4.5
435.25024	5.9
445.23804	22.7
447.25626	9.5
455.22052	7.9
463.24588	9.8
465.22592	22.0
473.23245	36.7
491.24170	100.0
492.24722	8.5
509.24966	79.7
510.25616	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.6
55.01862	28.7
55.05513	34.7
57.03444	6.3
57.07078	5.4
65.03914	6.9
67.05509	50.0
69.03423	14.7
69.07072	12.7
70.16666	19.9
70.17086	5.1
70.63541	5.4
71.04998	10.6
75.90710	4.9
79.05492	48.4
81.03438	32.3
81.07053	56.1
83.04970	51.2
83.08608	10.1
85.02876	10.1
85.06521	6.4
88.51347	4.9
91.05482	64.1
93.07046	81.9
95.04963	30.8
95.08611	52.1
97.02887	5.5
97.06493	14.3
99.04453	8.0
105.07030	59.1
107.04976	19.4
107.08597	36.6
109.06521	32.8
109.10140	8.4
111.04440	23.0
111.08076	18.3
113.06083	5.0
115.05421	8.1
117.07010	33.9
117.69117	5.3
119.04930	7.4
119.08577	98.5
121.06493	31.5
121.10133	18.1
121.12483	6.0
122.07334	6.9
123.08053	30.4
128.06235	15.6
129.07011	14.8
130.07794	7.5
131.08562	35.0
132.53337	5.5
133.06500	11.4
133.10127	59.7
135.04407	10.6
135.08061	35.8
135.11621	9.0
137.05984	11.6
137.09593	10.4
139.07538	21.7
141.06950	10.9
142.07794	15.6
143.08537	28.8
145.06531	13.6
145.10115	50.1
147.08064	16.6
147.11711	32.4
149.05978	9.0
149.09619	10.0
151.07587	7.5
155.08575	19.5
156.09351	15.2
157.06500	7.6
157.10120	34.4
158.07259	8.8
159.08037	27.2
159.11703	10.8
161.09605	19.7
163.07498	32.6
163.11165	25.7
165.05496	8.7
165.06966	8.9
167.07216	6.5
167.08563	14.0
169.10143	25.2
171.08090	16.1
171.11690	23.4
173.05959	6.4
173.09557	29.2
173.13260	7.6
175.07549	18.9
175.11252	9.7
177.09087	7.8
179.08534	12.7
181.10126	14.2
183.08118	17.1
183.11710	17.9
185.09654	19.9
185.13266	7.5
187.07457	6.0
187.11205	15.9
189.09122	10.9
191.07024	6.2
191.08591	8.6
191.10664	9.5
192.09299	5.5
193.10097	15.7
194.10884	7.9
195.08066	8.7
195.11694	20.5
197.09616	12.6
197.13284	15.4
199.11172	19.8
199.14748	10.0
201.09099	21.3
201.12784	8.3
203.10663	8.7
205.08508	10.6
205.10226	11.9
206.10910	6.7
207.11731	13.4
209.08012	26.7
209.13252	14.2
211.11264	11.4
211.14819	10.4
213.12749	10.0
215.14178	6.2
217.10236	6.9
219.09981	9.9
219.11842	6.5
221.09885	7.3
221.13251	16.5
223.11140	17.3
224.11871	6.6
225.12741	15.0
227.14288	22.9
229.08507	9.2
230.10924	8.1
234.10280	6.5
235.11246	11.4
235.14833	10.7
237.12735	13.5
239.14273	21.8
245.15430	14.9
247.09592	21.2
247.15128	6.7
249.12733	10.7
249.16319	6.8
251.14275	7.7
257.15375	9.7
258.10132	6.2
259.14816	7.5
261.12646	11.9
263.14288	10.0
265.10526	15.0
273.12857	7.1
275.14273	7.6
277.15698	9.3
279.13913	7.1
289.15906	7.8
293.15631	6.5
305.15338	10.2
323.16232	6.4
365.19653	6.3
401.25308	6.0
413.21072	6.4
417.24396	13.0
427.22614	20.7
429.24139	9.9
445.23593	25.0
447.25082	6.7
451.25027	7.7
455.22272	16.5
463.24542	20.4
473.23294	56.3
491.24237	100.0
492.24460	13.4
509.25235	69.1
510.26187	7.2
533.40564	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.7
55.01863	8.8
55.05511	24.6
57.03443	5.2
67.05510	31.5
69.03447	11.1
69.07066	13.6
69.08038	45.9
71.04992	10.7
79.05497	53.0
81.03418	12.5
81.07057	49.0
81.36253	4.4
83.04974	14.3
83.08620	8.9
85.02899	6.3
87.39498	4.4
91.05483	61.3
93.07042	47.0
95.04957	29.5
95.08620	28.1
97.02886	17.1
97.06521	39.3
97.10170	9.1
103.05447	9.4
105.07033	55.9
107.04945	17.3
107.08591	27.3
109.02913	10.4
109.06525	37.8
111.04427	8.7
111.08057	11.4
113.02358	7.1
115.05471	14.8
117.07012	30.3
119.08571	56.8
121.06527	25.7
121.10158	9.5
123.04414	9.8
123.08098	10.9
125.05994	15.4
125.09613	7.1
128.06212	26.3
129.07001	38.0
131.08569	47.2
133.06470	8.5
133.10126	21.3
135.08061	25.0
137.05991	16.1
139.07538	14.2
141.07007	19.4
142.07791	19.6
143.08568	40.9
145.06516	23.9
145.10121	25.3
147.08064	26.9
147.11722	9.3
149.05972	6.5
149.09641	7.2
151.07593	9.1
153.07008	14.0
154.07739	7.1
155.08578	42.3
156.09354	19.2
157.06555	7.6
157.10130	42.1
159.08046	28.2
159.11708	14.5
161.05980	11.4
161.09656	20.1
163.07578	11.4
163.11176	8.3
165.07011	18.5
166.07761	8.6
167.08501	28.2
168.09238	7.7
169.10081	38.5
170.10876	5.5
171.08006	11.5
171.11708	20.1
172.08810	5.4
173.09583	12.3
173.13298	20.7
175.07558	15.7
175.11176	10.9
177.09045	6.9
178.07796	9.3
179.08583	33.6
180.09250	9.2
181.10123	27.0
182.10933	8.0
183.08092	15.0
183.11681	19.6
185.09583	11.5
185.13260	7.7
187.11142	7.7
189.09123	9.9
192.09337	12.9
193.10222	23.7
193.12022	5.5
194.10838	13.4
195.08080	13.2
195.11688	25.1
197.09612	21.1
197.13254	16.9
199.11198	14.2
201.12753	5.7
203.08496	10.2
205.10146	13.6
206.10883	8.4
207.11676	12.6
208.08768	6.5
208.12466	4.9
209.09612	15.1
209.13300	27.9
211.11192	17.5
211.14745	24.4
213.09103	8.8
213.12810	8.3
215.08594	8.8
215.10609	6.4
216.09288	6.7
217.10103	9.2
219.11798	13.5
220.12477	7.7
221.09724	5.5
221.13231	12.0
222.10400	8.0
223.11240	10.5
223.14880	11.6
225.12750	11.1
227.10689	6.5
229.10123	8.8
230.10751	6.4
232.12485	6.4
233.09683	7.9
233.13309	12.0
235.11327	5.5
235.14743	10.1
237.12695	13.0
237.16330	6.7
238.13547	5.9
239.10759	8.1
239.14322	16.0
241.12276	6.8
243.11662	7.9
245.09711	5.7
245.13271	11.0
249.12900	11.3
251.14334	16.5
253.15945	5.0
255.13785	18.4
257.15384	31.8
259.15024	6.2
261.12814	7.2
263.14203	8.5
265.15802	5.6
267.13831	9.8
269.15555	8.7
277.12378	6.0
277.15771	6.3
279.13983	5.4
281.15393	9.1
291.13770	6.5
297.15076	5.5
307.17041	5.3
317.19003	6.3
321.18796	6.1
347.20087	8.1
349.21704	5.6
363.19586	15.5
385.23944	11.4
401.21005	9.8
419.22418	5.9
427.22653	8.1
445.23746	5.7
455.22458	6.1
456.22440	5.2
459.27188	15.0
463.24902	12.1
473.23187	14.9
477.28214	6.8
491.23947	30.1
509.25189	100.0
510.25272	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2535
Annotation	PD 123319
Peak:m/z	Relative Intensity
54.19106	1.1
55.05498	1.1
67.05495	3.1
69.03430	2.6
69.13918	4.2
69.14319	5.8
70.17422	1.1
79.05484	3.4
81.07043	4.5
81.09197	1.0
83.04981	1.7
91.05473	7.3
93.07047	5.5
95.04996	2.1
95.08617	3.6
97.02888	5.0
97.06498	1.2
98.22620	2.5
105.07046	5.8
107.08602	4.4
109.06528	3.1
111.04453	1.4
115.05444	2.3
117.06995	1.7
119.08594	4.1
121.06544	1.9
123.08062	2.9
128.06233	1.3
129.07005	4.9
131.04878	1.3
131.08575	4.8
131.87012	1.2
133.10161	3.6
135.08067	2.1
137.05931	1.3
139.01125	1.1
141.07008	2.9
142.07797	2.6
143.08574	5.6
145.06468	2.0
145.10129	3.9
147.08052	2.3
152.06110	1.3
154.07715	2.1
155.08556	24.7
156.09357	2.3
157.06499	2.9
157.10114	5.6
159.08066	2.6
159.11693	1.6
161.09641	3.1
165.07043	5.0
166.07776	2.2
167.08565	13.2
169.10114	7.1
170.10898	1.4
171.08083	2.8
171.11688	4.4
173.09749	1.4
173.13297	1.5
179.08533	7.3
180.09328	4.7
181.06447	1.2
181.10109	8.7
182.07484	1.1
182.10966	1.5
183.08131	1.7
183.11713	4.6
185.09647	1.5
185.13312	1.8
191.08571	2.4
191.90488	1.2
193.10176	7.2
194.10910	5.9
195.08054	37.6
195.11674	9.2
196.08730	3.9
197.09579	5.6
197.13197	2.7
199.11134	2.4
203.08557	1.6
204.09340	2.4
205.10130	4.2
206.10930	2.9
207.08131	1.9
207.11661	8.1
208.08783	1.5
208.12384	2.2
209.09724	2.9
209.13255	8.9
211.07613	4.0
211.11182	3.2
211.14809	2.1
213.09171	1.5
216.11476	4.7
217.10216	1.9
217.12202	2.5
218.10922	1.7
219.08090	1.5
219.11635	5.5
220.12576	1.9
221.09683	2.4
221.13162	6.4
222.10242	1.5
223.11247	2.6
223.14827	1.9
225.12836	2.2
229.10173	2.1
230.10823	2.4
231.11725	3.8
232.12564	1.6
233.09633	1.3
233.13303	2.6
235.11205	2.1
235.14864	4.5
237.08968	1.5
237.12776	5.8
238.13541	4.2
239.10616	1.9
239.14317	2.9
243.11848	2.0
244.12523	1.6
245.09587	1.7
245.13301	3.8
246.10352	1.8
247.11249	2.1
247.14815	3.1
249.12801	2.1
249.16573	1.8
251.14302	1.4
251.17896	1.3
252.11421	2.2
253.12285	3.3
254.13023	31.7
255.13791	40.4
256.14337	2.5
257.15439	1.6
259.14874	3.9
261.12869	2.1
261.16302	2.1
263.14444	1.8
263.18060	1.6
267.13791	14.7
268.14481	2.8
273.16373	1.2
275.18002	1.6
277.15768	1.5
287.14536	1.6
289.15860	2.4
291.13940	1.5
291.17346	1.4
299.17853	1.5
307.17108	2.0
310.59372	1.4
317.18994	1.4
319.16946	2.2
321.18768	2.9
333.18539	2.4
333.22046	1.7
335.20117	3.4
337.18188	3.1
347.20242	2.6
349.21616	5.9
359.20084	2.9
363.19678	1.9
365.21045	3.8
366.21890	2.5
367.22726	2.3
377.21194	8.9
379.22617	17.0
395.22189	52.8
395.27399	2.7
396.22513	3.6
449.19449	1.9
461.23282	5.0
463.24966	4.6
473.23141	2.7
477.22626	1.4
491.24326	8.6
492.25134	3.0
509.25336	100.0
510.25623	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
55.01867	3.4
55.05510	4.3
67.05504	4.8
69.13686	5.7
69.14088	18.9
74.72522	2.8
77.29767	2.9
79.05502	14.8
81.03417	4.7
81.07058	11.0
83.04981	2.8
84.39297	2.9
91.05495	22.1
93.07069	12.6
95.04978	11.7
95.08604	7.2
105.03389	41.0
105.07026	30.1
105.07596	3.1
107.04185	3.3
107.04964	3.3
107.08622	9.6
107.31847	3.4
109.06530	7.0
109.10210	4.6
111.08096	4.6
115.05479	8.5
117.07017	9.3
119.08586	16.8
121.06506	7.2
121.10156	5.3
128.06221	10.6
129.06973	14.6
131.08591	13.4
133.06459	5.0
133.10161	11.9
135.08067	14.2
137.06004	7.2
137.09671	3.1
141.07014	8.6
142.07759	16.0
143.08560	25.0
145.06538	5.2
145.10141	15.0
147.08028	7.0
149.06091	3.1
149.09602	3.8
155.08536	20.3
157.06493	11.6
157.10129	24.0
159.08046	10.2
159.11723	10.3
161.05984	3.9
161.09682	4.1
165.07022	4.0
167.08629	8.7
168.09277	3.9
169.10135	21.5
170.97849	3.6
171.08067	8.5
171.11713	12.2
173.09686	6.9
175.07634	3.4
175.11211	5.9
178.07800	3.4
179.08595	8.1
181.10196	8.9
182.10875	4.6
183.08018	4.0
183.11722	8.6
185.09673	6.7
190.07820	3.2
192.09299	3.1
193.10190	9.1
194.11101	4.0
195.08112	4.1
195.11713	8.3
197.06030	2.9
197.09682	8.1
197.13290	5.5
199.11246	13.3
201.12689	6.8
205.10211	4.1
206.10802	3.8
207.11760	12.7
208.08688	4.0
208.12399	3.5
209.09671	6.4
209.13278	11.7
211.11212	4.2
215.08449	3.7
215.10629	4.3
217.10216	6.2
219.11795	5.8
221.13237	6.5
223.11143	4.8
231.11678	5.1
239.14272	6.4
243.11705	4.7
244.12529	4.4
245.13188	4.4
247.14998	7.6
251.14391	4.1
253.12291	4.2
255.13966	3.8
257.13126	5.0
259.14734	5.5
261.24612	3.4
263.14511	3.3
267.13873	8.3
271.14963	3.5
273.16226	4.5
277.15982	3.5
281.13110	3.2
289.19489	4.6
313.16052	5.2
315.21075	4.2
331.17023	4.4
337.14417	11.4
347.19873	3.6
355.15497	4.0
357.22150	5.9
359.20175	4.0
361.21622	7.3
369.17105	4.0
373.21594	13.4
375.23203	33.1
385.21756	3.3
389.20972	4.0
393.23773	5.5
403.22623	7.0
421.23727	100.0
422.24170	9.5
445.22861	3.1
463.24750	7.0
473.23105	8.1
474.23523	4.4
491.24628	35.5
492.24393	4.3
509.25226	53.1
510.25967	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2537
Annotation	Dihydroornativolide
Peak:m/z	Relative Intensity
51.02349	1.8
51.92771	1.8
53.03939	4.6
55.01874	4.7
55.05232	1.8
55.05505	3.7
57.03407	2.2
61.87143	2.0
63.61940	2.2
65.03960	2.1
67.05515	8.5
67.62985	2.0
69.03422	15.0
69.07066	4.4
69.10744	15.4
72.68805	2.1
79.05492	24.0
80.47210	2.2
81.07055	87.2
83.04977	2.8
85.02939	3.0
89.61987	1.7
91.05481	22.7
93.07039	12.6
95.04981	11.3
95.08606	8.6
97.02905	6.7
99.04440	3.0
103.05500	3.7
105.04492	2.2
105.07035	21.6
107.04983	5.4
107.08562	9.5
109.02814	2.5
109.06522	36.3
109.10194	2.6
111.04456	7.4
113.02394	3.1
113.15974	2.1
115.05470	7.3
116.19632	2.3
117.07014	9.3
119.04967	4.4
119.08577	14.9
121.06489	10.2
121.10181	3.0
123.04458	8.4
123.08068	3.0
125.05985	2.9
128.06195	10.3
129.07027	13.2
131.08542	13.3
132.05733	2.5
133.06482	10.4
133.10150	6.0
135.08063	10.1
137.02412	2.1
137.05974	100.0
137.09572	3.3
138.06332	2.6
139.03946	2.0
141.06998	9.0
142.07788	6.7
142.35051	2.1
143.08533	18.3
144.09496	2.1
145.06430	11.2
145.10144	9.1
147.08012	11.6
147.11584	1.9
149.05966	8.2
149.09624	2.6
151.03966	2.5
151.07567	5.7
153.05490	7.0
153.06955	3.6
154.07767	3.3
155.08551	18.2
156.09349	5.0
157.06514	3.4
157.10139	9.2
159.08041	25.0
159.11734	5.8
160.08823	3.4
161.05983	10.8
161.09642	9.2
163.07562	8.5
165.05498	3.6
165.07024	8.4
165.09106	5.3
167.07034	8.6
167.08589	9.2
168.09305	3.7
169.06474	2.7
169.10106	9.6
170.07315	2.7
171.08067	9.3
171.11694	6.5
172.08789	4.4
173.05984	3.6
173.09613	12.1
173.13229	2.5
175.07619	10.6
175.11176	5.1
177.05463	4.4
177.09123	4.7
178.07729	2.4
179.08507	10.3
180.09325	4.6
181.06541	3.8
181.10144	8.5
183.08110	9.0
183.11713	7.7
185.09555	9.7
185.13231	3.3
187.07555	5.4
187.11197	4.6
189.05472	6.7
189.09103	15.4
191.07014	8.6
191.08577	4.1
192.09357	4.7
193.08589	3.2
193.10106	9.3
194.10919	4.4
195.08054	7.7
195.11685	8.3
196.08789	6.4
196.12418	2.6
197.09627	13.4
197.13333	3.8
198.10361	2.5
199.04250	9.0
199.07408	2.6
199.11201	11.5
201.09119	8.3
201.12787	3.7
203.10631	2.9
205.10170	4.8
206.10991	2.9
207.08090	2.4
207.11761	7.5
208.09097	2.5
209.09639	6.5
209.13373	4.7
210.10367	2.6
211.11179	12.7
211.14786	2.9
212.11998	2.6
213.09140	4.3
213.12788	6.1
215.10686	3.6
217.08446	4.8
217.10255	4.2
217.12074	2.4
218.10884	3.7
219.11859	4.5
221.09616	5.0
221.13248	6.5
222.10439	3.4
223.11203	8.8
223.14822	3.1
225.09109	6.1
225.12758	6.7
226.13300	2.4
226.54259	1.9
227.10735	5.3
229.10172	3.0
229.12212	4.4
232.08804	2.6
233.09601	3.7
233.13284	3.0
233.20114	2.1
234.10425	2.8
235.11171	5.2
236.12012	2.4
237.12755	8.5
239.10707	8.0
239.14337	6.5
241.12215	5.2
245.09692	2.7
245.13350	3.0
247.11046	5.5
247.14914	2.3
248.11960	2.6
249.12869	4.6
251.10698	3.4
251.14310	5.5
252.11487	2.5
253.12219	12.8
254.13017	5.3
255.13818	8.0
259.11230	3.4
260.11911	3.6
261.12823	4.0
263.11038	3.0
263.14236	2.6
265.12378	6.4
265.15796	3.4
269.11652	2.7
273.12784	3.0
275.14468	3.1
275.18106	2.6
276.11624	2.3
277.15958	2.7
279.13885	3.5
281.11911	2.5
283.13348	2.4
285.11130	2.3
286.13223	2.3
286.42386	2.3
287.14319	2.2
289.16034	2.9
301.14639	3.1
307.13388	2.7
315.17377	2.8
319.17010	2.9
333.18564	3.2
345.18509	4.6
357.18320	3.4
361.18036	2.5
363.19617	3.0
373.17908	3.5
375.19543	6.2
391.18979	12.0
401.17410	7.2
403.18655	2.6
409.20633	3.2
413.17139	3.1
419.18503	57.1
420.18900	4.0
427.22968	3.0
431.18314	6.1
437.19537	32.2
438.19757	4.4
445.23746	6.4
447.21835	3.5
449.19650	8.7
455.22482	10.7
463.24820	4.1
465.22629	5.6
473.23749	20.9
491.20380	8.7
491.24289	12.6
509.21823	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.01867	4.4
55.05494	9.1
57.07078	3.0
59.05003	3.1
63.11411	2.4
65.03943	3.3
67.05508	16.1
69.03427	13.2
69.07085	5.0
70.65576	5.0
70.65922	6.3
71.04987	2.6
79.05490	22.1
81.07054	52.4
83.04972	14.3
83.08617	3.3
85.06533	3.2
91.05482	19.8
93.07040	12.5
95.04966	11.4
95.08598	16.7
97.02874	6.0
97.06542	4.7
99.00789	3.6
99.04454	7.2
105.07024	17.7
107.04930	5.2
107.08602	11.9
109.02889	10.9
109.06528	22.3
109.10109	4.1
111.04461	20.3
111.08086	7.9
113.02388	7.1
115.05481	3.7
115.44868	2.9
117.07012	8.3
119.08585	18.2
119.17881	2.5
119.49171	3.2
121.06516	10.9
121.10123	5.1
123.04402	4.2
123.08105	6.3
123.11703	4.9
125.05983	4.6
125.09721	3.5
128.06239	7.7
129.07016	17.4
130.06493	2.6
131.08577	15.3
131.09398	2.4
133.06575	6.8
133.10110	10.7
135.04437	4.8
135.08060	11.0
137.05975	45.5
139.07545	3.9
141.07007	9.2
142.07768	6.5
143.08557	15.7
145.06465	6.0
145.10144	9.3
147.08028	6.7
147.11772	3.2
149.05890	2.7
149.09607	4.3
151.07539	7.8
153.06975	4.9
155.08549	38.5
156.09305	9.1
157.06488	7.3
157.10175	12.6
159.08060	11.1
159.11780	5.7
161.05989	3.3
161.09610	11.0
163.07559	5.2
165.07033	7.5
165.09111	10.6
166.07779	5.1
167.07135	3.1
167.08557	9.6
169.06519	3.9
169.10121	17.8
171.08081	9.3
171.11716	19.4
173.09659	6.3
173.13301	3.5
175.07503	7.9
175.11200	5.8
177.05495	5.3
177.09135	5.5
178.07954	3.2
179.08560	15.6
180.09357	7.4
181.05003	5.6
181.06496	3.3
181.10089	14.2
182.10847	3.2
183.08099	5.3
183.11705	7.3
185.09651	8.8
185.13284	4.2
187.07533	3.6
189.09157	16.4
191.08664	4.6
191.10452	3.0
192.09308	7.1
193.10069	15.4
194.10916	8.4
195.06512	9.7
195.08028	10.1
195.11702	19.6
196.08784	5.9
197.09622	11.4
197.13159	3.0
199.07555	6.5
199.11143	11.1
201.09163	4.1
203.08731	3.3
203.10686	5.3
204.09415	4.6
205.10155	6.8
206.10892	7.3
207.11717	11.8
207.33476	2.9
208.08904	4.7
209.07971	4.2
209.09689	8.6
209.13217	21.7
210.14055	3.9
211.11198	7.6
211.14786	8.2
213.09183	6.8
213.12692	3.5
215.10564	3.6
217.10233	4.8
217.12129	4.4
219.08170	3.6
219.11694	9.0
220.12492	6.3
221.09665	6.8
221.13258	10.9
222.10384	3.3
223.09506	5.6
223.11400	3.8
223.14784	5.7
224.11967	3.3
225.12769	4.2
227.10732	5.6
229.10023	4.6
230.10899	2.9
231.11691	8.8
232.12363	3.5
233.09700	6.8
233.13251	12.8
234.10320	3.6
234.13911	3.9
235.11192	9.3
237.13054	14.8
239.14302	3.5
243.11708	5.2
245.09651	4.3
245.13232	6.2
247.11159	8.3
247.14922	6.7
248.11902	4.6
249.10907	5.7
249.13058	4.7
250.13503	3.8
251.14317	7.3
253.12268	5.9
253.15797	3.8
254.12939	3.9
255.13817	22.6
257.13315	3.5
257.15601	3.0
258.13928	4.1
259.11246	7.7
259.14737	4.1
260.11996	4.0
260.15405	4.3
261.12827	11.0
263.14258	9.5
265.12213	4.8
267.13776	8.3
269.15506	3.2
273.12714	7.8
273.16510	2.9
275.10895	2.7
275.14313	8.1
276.11646	3.0
277.12234	6.6
277.16055	4.8
279.14093	4.9
279.17072	3.5
281.15497	3.4
287.14273	4.2
287.17725	3.9
289.15765	3.7
291.17401	4.0
295.13620	2.9
299.14450	3.8
301.15836	3.4
303.13800	5.8
303.17300	3.3
305.15396	3.9
315.17352	3.8
317.15497	4.1
317.18970	10.4
318.16028	4.8
319.13382	4.3
319.16953	3.9
319.20840	3.9
329.18661	3.7
333.18405	12.5
335.19983	6.6
336.17410	3.5
345.18536	9.8
347.19812	7.3
356.17764	3.1
361.17941	7.5
363.19528	21.6
365.21289	3.0
375.19431	3.4
379.19064	18.6
381.20471	7.6
393.20508	5.9
399.23215	3.3
415.22772	4.7
427.22720	10.8
431.17972	3.5
433.23370	5.6
437.21021	4.8
443.22281	4.6
445.23700	42.6
455.22562	18.6
455.27850	5.9
461.23297	5.3
463.24799	100.0
464.24902	4.4
473.23105	35.9
473.29019	7.5
474.23389	3.6
479.24835	3.8
491.24094	45.4
491.30145	21.3
492.24640	3.8
509.25272	50.0
509.33368	9.2
510.25211	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2539
Annotation	Dihydroornativolide
Peak:m/z	Relative Intensity
53.03949	14.0
55.01873	17.6
55.05511	28.3
57.03426	10.1
59.33247	4.4
61.79048	5.1
65.03940	10.3
67.05503	43.8
67.28191	4.8
69.03419	12.7
69.07069	21.3
69.48589	22.7
71.04996	8.2
76.11884	4.6
79.05500	53.2
81.03416	22.9
81.07056	67.5
83.04993	31.0
83.08622	11.8
85.02896	7.6
88.20800	4.5
90.45457	5.0
91.05480	61.5
91.36834	4.7
93.07055	56.1
94.95758	5.5
95.04985	24.6
95.08620	36.8
96.33780	5.4
97.02914	7.2
97.06561	8.6
97.10182	7.7
98.22678	8.4
99.04495	5.2
103.05447	5.7
105.03394	10.3
105.07034	85.7
105.07684	9.2
107.04971	16.5
107.08587	47.5
109.06547	20.9
109.10177	21.8
111.04469	9.7
111.08083	13.6
115.03857	5.4
115.05472	16.0
117.07022	26.8
119.04887	5.2
119.08591	55.8
121.06538	16.9
121.10147	16.6
123.08080	13.5
123.11726	7.8
125.09644	8.9
126.37080	5.7
128.06215	26.9
129.07004	37.5
131.04988	6.3
131.08553	49.2
133.06493	13.4
133.10127	43.5
135.08063	48.3
135.11697	10.8
137.06000	15.7
139.07497	6.5
141.07027	19.7
142.07829	29.3
143.08582	55.3
145.06532	16.0
145.10114	40.9
147.08063	20.3
147.11736	8.2
149.09633	13.7
151.07573	7.2
151.11253	6.4
153.05527	8.2
153.06993	11.7
154.07776	9.1
155.08569	51.0
156.09326	18.2
157.06502	22.5
157.10121	60.4
159.08046	28.7
159.11705	17.5
161.06004	7.5
161.09633	16.8
163.11218	9.8
165.07060	15.8
166.07790	8.4
167.08575	16.0
168.09396	9.2
169.06447	6.5
169.10175	44.5
170.10857	6.6
171.08090	19.8
171.11691	36.5
173.06017	5.7
173.09648	18.9
173.13277	9.1
175.07535	7.8
175.11186	17.0
178.07797	6.4
179.08554	19.2
179.10803	5.6
180.09338	10.4
181.10138	19.5
182.10765	7.5
183.08022	12.9
183.11693	20.6
185.09660	18.0
185.13286	10.3
187.11229	12.5
189.09120	14.6
189.12767	7.1
191.08548	5.1
192.09302	6.3
193.10161	24.4
193.12169	11.8
194.11017	8.0
195.08121	15.1
195.11723	23.2
197.09616	29.8
197.13281	15.5
199.11192	22.3
201.09171	9.5
201.12845	6.2
203.08612	7.1
203.10728	8.3
205.10158	15.6
206.10847	11.5
207.11807	28.3
208.12471	9.9
209.09650	14.5
209.13281	17.0
211.11113	21.4
211.13301	15.3
211.15031	7.3
213.09209	7.9
213.12729	10.6
215.08687	8.7
215.10649	8.1
216.09352	6.5
217.10245	6.9
217.12283	10.2
218.10886	8.8
219.11646	17.9
219.13785	9.8
220.12404	9.4
221.13272	17.4
223.11169	12.9
223.14961	7.4
225.12831	11.4
230.10947	6.9
231.11655	13.6
232.12398	6.7
233.13332	12.5
235.11186	9.1
235.14888	8.8
237.12738	12.6
238.13551	6.5
239.14323	12.5
242.10933	10.1
243.11736	9.8
244.12372	7.5
245.09584	5.8
245.13261	14.9
246.13956	7.3
247.14783	13.7
249.12694	7.1
251.14279	7.3
254.10889	5.9
255.11565	7.3
255.13879	8.1
257.13226	6.6
257.15668	6.6
258.14114	6.9
259.14810	11.5
261.12827	6.6
261.16425	7.4
263.14307	7.5
265.15671	6.7
267.13846	13.5
273.16736	6.1
275.14288	6.7
277.15945	6.5
283.15005	8.8
285.12863	8.3
285.16330	6.2
287.14432	6.0
289.19403	7.3
297.16223	5.8
299.14487	9.9
313.15671	8.1
319.17044	5.4
341.19135	9.3
355.19937	19.7
357.22229	12.9
361.21729	6.7
367.23062	5.4
373.21490	17.6
375.23282	39.8
393.24228	7.0
403.22672	23.7
421.23792	91.9
422.23944	6.6
425.23209	6.7
445.23813	13.6
449.18906	5.6
463.24673	20.5
473.23282	19.1
474.23853	6.4
481.25711	22.7
491.24173	98.1
492.24237	6.2
509.25061	100.0
510.25403	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
55.01870	5.3
55.05505	5.6
65.03944	3.6
65.23185	1.6
67.05517	14.1
69.03421	12.0
69.07062	5.2
69.40500	8.7
71.05010	1.7
71.62355	1.6
79.05499	8.7
81.03410	4.8
81.07056	16.3
83.04984	12.4
83.08609	1.9
84.20719	1.8
85.06558	2.0
91.05486	26.7
92.28127	1.5
93.07040	30.9
95.04962	12.5
95.08607	21.7
97.02906	2.6
97.06506	3.1
98.22649	3.6
99.04440	2.1
103.05441	3.9
105.07034	29.0
107.04981	1.9
107.08585	13.5
109.06520	4.0
109.10173	3.7
111.04453	5.7
111.08077	14.5
115.05448	5.7
117.07042	8.2
117.07753	1.9
119.04960	3.3
119.08577	17.8
121.06499	24.1
121.10143	7.3
123.08072	8.0
123.11700	2.1
125.06014	2.0
128.06218	5.6
129.06998	11.3
130.07755	2.6
131.04910	3.3
131.08575	11.9
133.06485	9.6
133.10120	17.5
135.08049	10.9
135.11687	1.9
137.05995	14.1
137.09613	1.7
139.07542	6.8
141.06987	6.2
142.07777	7.2
143.08577	15.6
145.06494	6.8
145.10121	11.1
146.07274	4.5
147.04387	3.3
147.08043	11.3
147.11673	2.1
149.05988	4.2
149.09602	6.3
151.03885	2.4
151.07532	5.4
152.06213	2.1
153.07007	4.6
154.07782	2.2
155.08501	8.9
156.09294	3.5
157.06499	5.4
157.10135	14.8
158.07201	1.8
159.04376	2.8
159.08041	11.9
159.11681	7.1
160.08797	1.9
161.05965	5.8
161.09633	34.1
161.13239	1.8
163.07549	5.5
163.11218	8.5
165.06993	7.3
165.09082	5.0
166.07790	2.2
167.07138	3.7
167.08571	7.3
168.09328	3.7
169.06474	2.9
169.10135	9.4
170.07239	1.9
171.08063	12.2
171.11723	5.3
172.08818	4.2
173.05988	3.7
173.09633	12.2
173.13203	1.9
175.07550	8.6
175.11143	7.9
177.09113	6.5
178.07828	2.4
179.08549	7.0
180.09361	4.6
181.06482	1.8
181.10118	6.4
182.10864	3.2
183.08049	4.9
183.11720	7.2
184.08743	2.1
185.06009	2.0
185.09612	12.4
186.10393	2.1
187.07559	5.8
187.11168	7.0
187.14803	2.0
189.09102	14.8
191.10641	3.3
192.09286	2.1
193.08554	2.6
193.10165	7.2
194.10876	5.2
195.08130	5.6
195.11627	9.1
196.08821	3.1
197.09645	4.4
197.13214	4.9
197.74989	1.6
199.07547	5.8
199.11182	8.5
201.09105	6.9
201.12733	2.8
203.08725	2.3
203.10646	35.3
205.10172	5.0
206.10892	2.9
207.08026	2.3
207.11705	9.9
208.08833	2.6
209.09598	6.7
209.13223	5.0
210.10332	2.6
211.07584	5.5
211.11220	6.5
211.14824	2.1
213.09084	7.3
213.12721	7.0
215.08737	2.8
215.10706	4.5
215.14326	3.7
216.09375	2.1
217.10184	3.4
218.10939	2.7
219.09918	2.6
219.11871	3.9
221.09694	3.6
221.13341	3.7
222.10353	3.6
223.07520	3.1
223.11201	9.9
223.14777	2.3
224.11913	2.2
225.09135	5.4
225.12668	8.9
227.10652	5.6
227.14323	3.8
229.12242	2.0
230.10971	3.2
231.11789	3.2
232.12343	2.4
233.09694	2.3
233.13181	5.5
235.11176	7.7
235.14793	2.1
237.09039	3.3
237.12740	7.3
238.09898	1.9
239.10709	3.8
239.14333	3.4
241.12268	7.7
243.13800	5.8
245.09454	2.7
245.13313	5.3
246.10385	3.9
247.11140	5.7
247.14792	2.6
248.11806	2.3
249.09203	2.3
249.12738	4.6
251.10619	6.4
251.14270	5.0
253.12331	11.4
255.13858	10.4
256.12354	3.0
257.13370	3.2
259.10910	2.8
259.15082	2.2
260.11981	2.2
261.12836	3.0
263.10635	4.6
263.14325	3.8
265.12259	9.6
265.15967	2.3
267.13840	6.9
271.13269	2.3
273.12686	2.6
274.13535	3.1
275.14243	4.9
277.12195	4.9
277.15775	2.5
278.09601	2.1
279.13696	3.2
281.11719	2.1
283.13458	2.9
285.12396	2.4
287.14413	1.8
289.12332	3.4
289.15878	2.9
291.13879	4.3
293.15399	2.6
299.10669	2.7
299.14212	3.0
301.12225	2.8
301.15836	2.9
303.13974	2.2
304.50119	1.9
305.15527	4.4
307.16943	5.4
315.13779	2.6
315.17212	3.4
317.15262	4.1
319.16968	3.2
323.16440	2.2
325.15430	2.3
331.16974	3.2
333.14816	2.9
333.18362	3.7
335.16290	6.0
335.20032	3.1
341.14990	2.1
349.18011	3.2
351.16174	2.1
352.16812	2.5
353.17551	14.8
357.18384	2.9
359.16379	3.7
363.19626	2.4
371.18863	2.5
377.17325	4.0
379.18790	2.8
395.19724	3.2
399.23157	3.5
409.21231	6.1
411.23117	2.2
413.21225	4.0
417.24393	2.3
419.20428	2.4
427.22623	18.7
429.24503	2.5
431.22308	4.4
437.20975	6.3
445.23758	25.7
446.23987	3.5
447.25278	2.6
455.22214	35.9
456.22562	3.4
461.23068	5.1
463.24728	12.1
473.23236	100.0
474.23889	9.0
491.24274	70.2
492.24390	6.2
509.25449	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75257	3.5
53.03937	8.2
55.01870	11.2
55.05502	14.0
59.04987	7.9
62.78276	3.4
64.76736	3.6
65.03938	6.0
67.05507	27.3
69.03432	11.3
69.07059	8.5
69.20064	13.9
69.20493	16.1
75.22887	4.1
76.83540	3.7
79.05511	24.1
81.03407	11.3
81.07049	39.3
83.04975	26.9
85.02908	4.4
85.06556	4.6
87.04458	4.2
89.57918	3.8
91.05491	42.2
93.07046	45.5
95.01333	4.6
95.04967	30.0
95.08601	27.0
97.02888	8.7
97.06531	6.0
98.13041	3.6
99.00797	5.3
99.04420	4.6
103.05470	9.0
105.07032	46.4
107.04943	5.9
107.08589	21.1
109.06521	16.7
109.10129	9.1
111.04456	23.9
111.08134	5.4
115.05448	12.5
117.07024	15.3
119.04971	7.7
119.08568	43.2
121.06481	18.5
121.10149	11.3
123.04453	7.6
123.08072	19.5
125.09611	4.2
128.06247	12.5
129.07048	18.6
131.05055	4.3
131.08582	28.1
133.06516	13.4
133.10097	20.0
135.08054	16.8
137.05956	39.7
137.09615	4.5
139.07574	8.4
141.06973	12.0
142.07784	21.7
143.08571	28.7
145.06482	9.0
145.10114	24.9
147.08040	26.1
147.11668	11.5
149.05981	9.4
149.09686	7.6
151.07570	15.7
153.06966	5.9
155.08569	14.5
156.09285	6.6
157.06529	15.1
157.10107	23.0
158.07272	7.2
159.08046	23.3
159.11688	12.8
161.06023	21.3
161.09615	20.1
163.07538	6.8
165.06987	16.5
165.09155	4.7
166.07750	6.4
167.07164	6.9
167.08585	11.1
169.10126	13.3
170.10719	4.1
171.08086	23.3
171.11620	9.4
173.09599	21.9
175.07549	42.1
175.11191	15.0
177.05554	4.4
177.09120	6.3
178.07848	3.5
179.08525	9.0
180.09285	9.4
181.05008	5.4
181.06537	4.3
181.10114	12.6
182.10838	3.9
183.08038	12.5
183.11739	10.5
185.09625	24.6
187.07571	8.8
187.11180	10.8
189.09081	22.7
190.09430	4.2
192.09279	7.3
193.08617	8.8
193.10127	9.3
194.10844	7.3
195.06522	15.1
195.08116	11.8
195.11696	15.8
197.09627	12.7
197.13261	11.1
198.10416	3.8
199.07544	7.6
199.11252	10.1
201.09224	7.7
201.12766	8.1
203.10620	17.5
204.09399	6.0
205.10164	8.3
207.10020	7.6
207.11723	12.1
209.07988	6.0
209.09673	10.7
209.13365	12.9
210.10371	6.7
211.11220	13.9
213.09067	11.1
213.12727	9.4
215.10625	8.1
217.10210	5.6
219.08205	3.8
219.10020	5.0
220.12520	3.5
221.13393	6.9
222.10463	9.1
223.09389	6.0
223.11205	15.1
224.12070	4.8
225.12662	27.7
227.10696	9.8
227.14400	5.7
229.10126	5.7
229.12175	5.7
231.11780	7.9
232.12486	4.5
233.09636	8.0
233.13336	4.4
235.11192	12.9
237.12791	12.0
239.10660	7.2
239.14525	4.1
241.12224	13.2
243.13806	9.0
244.12242	7.3
245.09726	7.0
245.13174	8.9
247.11174	8.7
247.14873	4.6
249.12807	7.1
251.10692	6.8
251.14284	4.6
253.12259	18.8
255.11568	4.5
255.13914	5.1
259.14761	7.3
261.12708	12.6
263.10654	6.1
263.14206	4.7
265.12244	7.6
267.13940	4.0
271.13351	12.7
273.12625	6.7
275.14273	7.0
277.12314	3.9
277.16156	4.8
285.16391	5.4
287.14023	5.3
289.15771	6.7
298.13629	4.7
301.15799	7.3
305.15259	5.1
308.97394	4.7
315.17517	6.5
319.17041	4.3
328.18192	4.3
345.18665	4.1
347.07639	7.7
353.17505	16.8
363.19421	5.2
377.17072	5.0
399.23303	8.0
409.21368	9.0
427.22589	22.8
429.24622	6.7
437.21048	14.4
445.23718	35.7
455.22284	34.4
455.27954	7.9
463.24771	35.5
473.23199	78.3
473.29132	12.8
474.23575	5.2
491.24094	100.0
491.30219	20.6
492.24652	4.7
509.25259	52.5
509.31171	5.1
510.25903	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75679	3.0
53.03934	15.7
55.01873	24.3
55.05513	56.6
57.03444	15.8
59.05009	6.8
65.03933	4.6
67.05175	6.5
67.05507	91.2
69.03426	19.1
69.07069	24.5
71.05001	23.2
71.30730	3.4
79.05492	100.0
81.03416	32.6
81.07053	98.2
83.04984	31.5
83.08628	26.1
85.02901	6.5
85.06561	13.1
91.05476	84.4
93.07043	80.3
95.01324	3.8
95.04967	76.6
95.08610	57.0
95.80168	3.2
97.02921	4.6
97.06516	18.5
97.10163	35.6
99.04498	4.6
99.08100	3.6
103.05434	4.9
105.07030	50.7
107.04960	49.7
107.08591	62.0
108.08923	4.2
109.02882	7.5
109.06519	58.0
109.10163	25.9
111.04443	11.8
111.08096	16.3
115.05444	9.0
117.07021	31.8
119.04964	7.7
119.08569	39.2
121.06514	37.9
121.10139	41.0
123.04440	14.2
123.08073	17.8
123.11712	10.1
125.06012	4.2
125.09624	32.1
128.06223	11.0
129.06999	27.1
130.07738	4.7
131.04921	6.0
131.08566	48.1
133.06499	10.0
133.10114	29.7
135.04416	14.5
135.08083	39.9
135.11670	6.7
137.05951	25.1
137.09615	9.9
139.07545	7.3
139.11223	6.2
141.07014	14.1
142.07770	9.0
143.08585	24.4
145.06474	21.5
145.10121	35.5
147.04420	4.2
147.08029	24.3
147.11699	18.2
149.06038	6.1
149.09624	24.5
151.07516	5.1
153.05598	4.4
153.06927	6.0
154.07869	4.6
155.08549	15.4
156.09276	4.5
157.06520	6.8
157.10092	22.0
158.07321	4.6
159.08084	23.7
159.11726	13.6
161.06024	8.1
161.09604	21.8
161.13237	6.8
163.07571	10.3
163.11203	22.1
165.07019	5.1
165.09134	9.6
166.07755	6.7
167.08594	9.0
167.10684	12.8
169.10126	14.6
171.08101	12.3
171.10269	5.0
171.11740	11.7
172.08911	4.5
173.09622	26.7
173.13293	6.0
175.07607	12.3
175.11209	14.6
177.05496	3.2
177.09055	6.3
178.07768	3.7
179.08615	9.1
180.09297	4.1
181.10133	14.0
183.08124	6.2
183.11687	9.1
185.09639	10.0
185.13242	5.3
187.11189	10.9
189.09160	13.0
189.11240	23.3
189.12758	6.1
191.10678	7.3
191.14374	11.5
193.10178	11.4
193.12257	21.7
194.10963	4.3
195.08018	6.3
195.11685	11.2
197.09618	14.1
197.13297	9.6
199.11226	11.6
199.13315	16.5
201.09138	12.5
201.12791	8.4
203.08543	4.3
205.10406	4.3
205.12338	5.9
205.15953	4.9
207.11761	8.9
209.09639	10.8
209.13333	7.0
210.10352	4.9
211.11165	17.1
211.13165	7.8
212.11800	4.0
213.09157	5.2
213.12794	6.9
215.14377	8.7
217.08510	6.6
217.10339	3.9
219.11842	6.3
219.13698	25.7
221.09637	8.3
222.10535	6.4
223.11195	18.1
223.13184	6.5
225.12756	13.0
225.14771	5.6
227.10713	7.7
227.12761	9.7
227.14563	5.6
229.12300	5.3
233.13441	4.0
233.15462	11.8
235.11188	11.5
237.12779	14.0
237.14935	7.2
239.10692	9.8
239.14337	8.5
241.12161	7.0
243.11595	4.7
243.13821	6.0
245.13264	6.5
247.11270	6.7
249.12730	8.1
251.10545	3.9
251.14403	4.3
253.12302	10.9
255.13840	7.5
261.12720	5.1
263.14267	7.0
265.12167	5.0
267.16010	6.7
271.13248	9.3
273.14786	9.7
273.17062	8.9
279.13568	5.5
281.15421	6.8
291.13916	6.9
293.17484	14.5
299.12729	5.7
305.15295	7.4
323.16537	5.0
339.23352	6.7
341.17429	4.9
349.21637	13.0
351.25244	7.5
357.24295	6.0
367.22705	43.4
385.23767	41.6
398.03873	3.2
399.25104	4.4
403.24805	9.1
409.21399	4.2
417.25864	7.9
419.18799	11.5
427.22751	10.3
429.24335	3.6
437.19403	17.8
441.26193	7.7
445.23431	12.7
455.22137	13.5
459.27542	37.6
463.25140	8.5
465.22629	3.5
473.23282	28.4
473.28778	5.6
477.28470	26.0
478.95801	3.8
491.24084	22.8
491.30298	15.4
509.24927	25.7
509.32175	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.311
Annotation	Carthamoleusterone
Peak:m/z	Relative Intensity
53.03949	11.0
55.01882	9.3
55.05510	45.6
57.03437	6.3
57.07084	4.6
63.80778	2.7
64.71215	3.0
65.03957	4.7
67.05509	40.1
69.03429	7.6
69.07065	42.9
70.36266	7.1
71.04995	5.5
79.05491	33.5
79.69827	2.8
81.03432	8.6
81.07057	82.7
83.01353	5.4
83.04984	22.2
83.08617	10.2
85.02908	7.3
85.06555	6.8
90.42474	3.1
91.05489	38.6
93.07047	52.0
95.04975	20.7
95.08605	62.4
97.02882	6.1
97.06516	11.9
97.10181	25.4
99.00814	25.0
99.04449	13.6
105.07018	35.4
105.07655	3.3
107.04973	10.6
107.08603	29.4
109.02882	6.7
109.06548	19.0
109.10158	28.2
111.04462	11.6
111.08099	9.1
111.11705	3.7
113.02379	5.8
115.05433	4.9
116.06252	3.5
117.06999	15.8
119.04964	4.1
119.08578	29.0
121.06522	16.8
121.10146	30.1
123.04420	8.9
123.08076	10.1
123.11700	16.7
125.05997	9.5
125.09645	5.7
128.06252	8.5
129.07025	11.9
131.04825	3.1
131.08540	20.7
133.06500	9.4
133.10118	18.3
135.04431	5.9
135.08076	12.7
135.11726	11.1
137.05977	27.5
137.09627	5.2
139.03894	4.8
139.07564	5.9
139.11183	3.8
141.07010	8.7
142.07846	6.4
143.08603	16.4
144.09427	3.3
145.06453	5.6
145.10112	14.8
147.08038	11.9
147.11711	8.0
149.02315	4.2
149.06007	7.6
149.09637	8.1
149.13313	3.7
151.07570	10.1
151.11240	5.1
153.05515	10.5
153.07022	3.8
154.07755	4.3
155.07188	4.9
155.08569	15.2
156.09326	3.9
157.06517	7.2
157.10094	14.8
159.08131	8.7
159.11711	9.1
161.05997	6.8
161.09662	14.2
163.03931	4.7
163.07582	8.7
163.11235	8.6
165.06999	7.6
165.09070	4.5
167.07030	4.7
167.08556	7.1
169.10135	13.7
171.08083	10.2
171.11679	10.3
173.06050	3.6
173.09621	14.7
173.13367	4.3
174.24786	3.3
175.07582	13.2
175.11269	6.5
177.05530	9.6
177.09053	7.7
178.07784	4.7
179.08571	8.3
179.10629	4.2
181.04953	25.4
181.06363	4.3
181.10100	11.6
183.06535	10.0
183.08072	4.7
183.11720	8.6
185.09651	8.8
185.13278	6.7
187.07535	7.4
187.11148	6.3
189.09047	23.3
191.07072	5.3
191.10796	4.5
192.09445	5.3
193.10164	8.7
193.12270	6.1
194.10867	3.8
195.06528	76.8
195.07875	5.0
195.11717	10.5
196.06816	3.1
197.09660	10.8
197.13287	6.4
199.07584	4.9
199.11179	6.1
201.09047	6.1
201.12819	5.2
202.13087	3.2
203.08720	3.2
203.10736	11.0
204.09459	4.1
205.08502	7.7
205.10190	6.1
207.11720	7.2
209.07993	32.9
209.09674	7.6
209.11380	3.7
209.13300	9.3
210.10403	5.0
211.11252	6.1
213.09061	4.9
213.12762	4.5
215.08813	4.9
215.10783	9.6
217.08508	3.9
217.10336	4.0
219.11940	3.6
221.07933	7.2
221.13275	9.1
223.09584	55.5
225.12755	7.2
227.10707	4.0
230.10858	3.7
231.13846	5.2
237.10980	33.4
239.10756	5.8
239.14281	4.7
241.12248	4.8
244.12505	4.8
245.13266	7.6
247.14780	3.9
249.11209	11.9
251.12714	6.5
255.13786	5.7
257.15573	6.0
258.27225	3.7
259.14566	3.8
263.12424	3.7
265.55994	3.0
273.12750	4.7
277.12152	5.4
277.16132	3.7
279.13864	5.1
283.32834	3.1
285.12857	4.5
287.14063	3.9
289.15472	4.4
291.16153	6.3
303.16452	4.6
305.17496	9.3
307.19217	18.6
317.17560	17.5
319.19351	3.6
329.17719	5.6
347.19385	4.6
384.20474	4.0
409.21738	4.1
427.23001	5.1
427.28436	7.4
429.29767	4.4
431.22293	3.2
437.20801	4.0
437.26807	4.7
445.23492	12.1
445.29523	23.4
455.21985	12.7
455.28003	14.7
463.24826	10.4
473.23083	26.0
473.29004	54.8
474.23157	5.1
474.29480	4.6
491.23987	21.3
491.30035	77.3
492.24063	3.5
492.30600	7.5
509.25232	16.2
509.31418	100.0
510.31604	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.7
67.05503	1.7
69.05075	0.9
69.05493	1.2
69.07063	0.6
79.05485	0.6
81.07059	1.4
83.08607	0.3
91.05492	0.4
93.07021	0.5
95.04945	0.2
95.08604	1.3
97.10140	0.3
98.98480	1.7
102.18790	0.3
105.03388	0.9
105.07042	0.6
107.08606	0.5
109.10187	0.2
121.10109	0.3
131.08531	0.3
133.10121	0.3
135.11748	0.3
147.11748	0.2
148.62021	0.2
155.01071	0.5
167.07007	0.3
168.77238	0.3
195.11667	0.3
259.83002	0.3
263.23740	0.3
337.27304	2.8
491.31323	10.1
492.31473	1.3
494.68033	0.3
509.32370	100.0
510.32706	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.6
57.42800	0.4
59.05001	0.4
67.05505	0.6
70.56104	0.8
70.56476	0.6
79.05512	0.5
83.04958	0.5
86.09702	0.6
86.83184	0.4
91.05486	0.7
93.07040	0.7
95.08598	0.4
97.12267	0.4
104.10754	1.9
105.03384	0.6
105.07016	0.5
105.11084	0.4
107.08548	0.6
119.08578	0.7
131.08522	0.3
133.10052	0.5
135.11621	0.4
150.47357	0.5
151.35091	0.4
155.08517	0.5
157.10179	0.5
159.08127	0.4
169.10165	0.5
184.07326	1.8
184.90468	0.3
185.07668	0.6
207.11708	0.4
356.16095	0.5
446.27710	1.2
447.32535	1.7
451.28192	15.5
451.34558	0.8
452.28519	1.4
465.33487	2.3
491.31396	11.6
492.31711	1.1
509.32373	100.0
510.32651	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
54.02940	0.8
55.05500	3.7
57.07085	5.4
67.05505	9.5
69.03429	1.2
69.07066	4.8
70.94035	0.7
71.04971	1.0
71.08612	2.8
71.30996	1.1
79.05479	2.9
81.03405	1.1
81.07057	9.6
83.04987	2.2
83.08599	2.9
85.06563	1.4
85.10130	1.4
89.06047	1.4
91.05491	6.5
93.00737	0.9
93.07045	4.6
95.04951	2.3
95.08593	6.1
97.10139	1.4
105.03387	13.9
105.07008	5.5
106.03703	1.0
107.08604	6.5
109.10156	10.7
111.08060	1.6
119.08570	3.1
121.06501	1.2
121.10153	1.3
123.08062	0.9
123.11744	1.7
131.08580	2.1
133.08553	1.0
133.10126	9.5
135.11725	1.0
143.08603	1.3
145.10098	2.2
147.11716	1.9
149.13228	1.1
151.11168	4.7
154.08640	1.3
155.08527	1.1
159.11736	2.1
163.11113	1.1
167.07053	1.8
169.10109	1.0
171.11737	1.4
196.13298	1.3
209.13277	1.4
221.11665	1.1
253.14458	4.7
276.19595	1.2
301.55121	1.0
459.17850	1.4
460.18839	1.0
471.32819	0.9
491.31305	100.0
492.31476	7.3
492.38351	2.4
496.04892	1.0
509.32208	67.6
509.37320	5.0
510.32205	6.0
510.39130	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3238
Annotation	Stellettin I
Peak:m/z	Relative Intensity
55.05520	1.5
57.07075	0.9
60.20483	0.9
67.05506	1.2
71.33317	1.4
81.07071	2.3
91.05516	3.0
93.07033	2.2
95.08626	1.4
104.12334	0.9
105.03409	2.2
105.07059	1.7
109.10175	2.2
119.08582	1.2
119.87264	1.0
121.10206	1.6
133.10234	1.1
135.11725	1.2
157.10219	1.0
161.09811	1.0
167.07069	1.4
275.69983	1.2
491.23984	2.3
491.31287	57.5
492.31891	4.7
509.32562	100.0
510.32797	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.2
55.05503	17.8
57.07084	5.6
65.03946	7.9
67.05499	38.9
69.03421	7.1
69.07065	18.4
70.58984	9.3
71.05006	4.2
79.05496	24.9
81.07059	35.8
83.04979	7.6
83.08623	4.9
91.05490	36.1
93.07044	59.3
95.04988	20.6
95.08613	83.9
97.06534	6.2
99.04471	3.7
105.03407	7.5
105.07033	54.3
107.04945	7.2
107.08595	58.7
109.06534	11.7
109.10179	27.6
111.08090	18.1
115.05429	5.8
117.07023	15.2
119.08578	68.7
121.06512	12.7
121.10159	52.4
123.08066	36.7
123.11707	16.1
125.06059	3.9
125.09646	6.2
128.06201	6.1
129.07031	12.9
131.08560	48.9
133.10129	59.6
135.08054	84.3
135.11671	22.6
137.09657	7.9
139.07507	7.2
141.05939	4.4
141.06987	6.1
141.09082	6.6
141.24278	4.4
142.07806	10.1
143.08528	30.8
144.09377	6.9
145.10121	49.5
147.08055	13.7
147.11691	28.5
149.09586	23.7
149.13258	7.9
151.11160	6.8
155.08571	11.4
156.09344	11.2
157.10133	47.5
158.10890	6.1
159.08101	4.4
159.11691	59.8
160.12431	4.8
161.09612	37.4
161.13235	30.0
163.11217	10.5
168.09369	6.3
169.10126	21.9
170.10855	6.4
171.11693	44.2
172.12337	4.9
173.09637	6.8
173.13275	70.1
174.13881	5.4
175.11186	15.7
175.14853	15.3
179.10718	7.4
181.10159	11.7
182.10806	5.5
183.11674	30.7
184.07326	5.8
185.09650	6.9
185.13246	22.6
186.10130	4.4
187.11192	19.0
187.14825	17.9
189.12709	21.1
193.09975	4.9
194.10907	5.0
195.11681	10.1
196.12534	5.1
197.13242	22.4
199.11188	10.6
199.14828	17.0
201.12753	13.4
201.16301	9.6
203.14305	4.8
205.12273	4.5
207.11769	9.2
207.13806	6.5
209.13260	20.2
210.14009	5.4
211.11166	6.7
211.14777	24.5
212.15598	6.1
213.12691	9.5
213.16357	12.4
214.17201	5.4
215.14311	12.3
221.13345	6.0
222.14047	5.9
223.14827	15.6
225.16412	14.4
227.17978	7.1
235.14879	9.0
237.16379	11.4
239.14340	7.1
239.17841	7.4
241.15871	6.0
243.17499	20.9
249.16302	5.6
252.18736	6.1
253.15839	7.6
253.19502	20.5
255.17444	24.1
263.17963	4.9
265.19397	5.0
267.17371	7.9
267.21310	5.4
269.18970	10.4
271.20535	7.9
279.17523	5.1
281.19073	10.6
291.21161	10.8
295.20654	7.7
299.20053	7.2
301.21729	5.7
307.20572	14.1
309.22089	38.9
313.21597	20.1
327.23175	13.0
329.21106	7.2
333.22324	4.6
335.23727	11.8
337.27319	5.0
351.23108	5.7
369.24261	26.0
403.30038	17.0
413.28238	11.0
421.31210	11.2
431.29449	63.9
432.29645	4.4
449.30518	100.0
450.30774	8.0
463.32101	17.7
467.31464	16.2
491.24796	5.2
491.31247	20.1
509.32703	78.2
510.33014	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.2
57.07083	1.2
67.05502	7.0
69.07072	4.9
71.04990	1.0
78.04716	2.6
79.05489	6.0
80.06947	1.0
81.07057	11.6
83.08622	3.2
91.05476	6.1
93.07057	7.9
95.04958	2.1
95.08608	10.5
98.23364	2.0
105.07033	9.9
106.04165	1.5
107.04950	1.7
107.08608	8.0
109.06554	1.5
109.10153	7.3
117.07023	2.4
119.08578	9.2
121.06532	1.7
121.10144	6.9
123.04456	5.5
123.05199	0.8
123.11723	10.3
124.05207	1.3
125.09598	1.2
127.11192	3.4
129.07002	1.5
131.08589	3.3
133.10159	8.5
135.08023	2.2
135.11696	3.0
137.05975	1.6
139.07542	1.4
139.11259	1.2
142.07649	1.0
143.08549	3.7
145.10112	9.0
147.08060	1.1
147.11673	8.3
149.13246	2.2
151.03949	1.4
152.04681	2.0
153.05498	1.4
153.12708	1.0
155.08531	1.1
157.10112	1.8
159.11682	4.2
161.09534	1.4
161.13257	1.8
163.07581	2.2
163.14868	1.6
167.07042	100.0
168.07416	2.7
169.10193	1.5
171.11694	2.8
173.09666	2.1
173.13283	3.7
175.11104	1.4
175.14857	2.3
177.12758	1.6
181.08662	4.9
185.13239	1.3
187.14813	1.8
189.09120	2.4
189.16402	2.1
191.18019	1.1
199.14886	2.0
203.10672	1.3
203.17963	3.9
205.12270	5.9
205.13892	1.0
213.16353	2.5
215.17928	2.5
221.11736	5.8
235.13303	9.8
237.14761	6.1
241.12422	1.1
253.57277	1.0
255.21098	1.7
263.16537	1.1
269.22418	1.2
369.24353	1.7
380.85416	1.1
491.24414	1.9
491.35239	5.1
509.36224	12.6
510.36008	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
67.13242	1.4
71.19131	3.7
86.09713	8.2
91.20378	1.5
93.03427	2.0
105.85552	1.4
114.20265	1.4
115.05486	3.5
121.02904	2.9
125.79849	1.8
141.06992	4.7
144.08078	100.0
145.08423	10.6
153.07037	2.5
157.06560	2.0
159.04366	2.5
161.10741	16.5
164.04567	1.6
165.06989	3.9
169.06485	3.8
181.06450	5.0
185.05977	5.3
187.03929	2.9
199.03906	68.7
199.09518	2.3
209.06024	2.6
213.05482	8.9
215.03380	11.3
227.07077	2.1
237.05403	2.1
241.05020	2.8
255.06604	5.9
283.06033	29.6
284.06259	2.7
286.19904	1.7
301.07056	20.3
302.07483	2.5
337.24670	1.9
345.11655	2.3
351.17578	2.6
380.11301	1.9
397.67880	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27371	1.5
55.01866	2.2
64.85426	1.5
65.03935	3.0
68.89820	1.3
69.03384	1.6
73.02908	2.7
78.10199	1.6
83.04952	2.1
85.02901	4.1
91.05433	2.1
93.03401	1.9
93.07045	1.5
94.57239	1.5
95.04974	2.1
97.02909	1.5
97.06506	1.5
98.97579	3.4
100.59855	1.5
105.07081	1.8
111.04458	1.5
115.05457	5.5
121.02898	4.8
141.06946	8.8
143.04913	3.3
144.08078	51.4
145.08395	2.2
153.07016	4.5
155.11768	13.4
156.12141	6.7
157.06470	5.1
159.04375	2.3
161.10738	6.6
163.07536	4.3
165.06989	4.2
167.04779	1.6
169.06503	6.0
174.96140	1.6
181.06512	8.3
181.08621	9.9
185.05930	9.9
187.03870	3.2
199.03897	100.0
199.09671	5.0
200.04285	4.7
209.06091	3.2
210.06569	1.5
213.05484	15.0
215.03358	14.5
227.06967	4.3
237.05469	4.5
239.06992	2.5
241.04836	10.0
255.06529	9.6
265.05002	2.9
273.17215	1.6
283.05972	35.0
301.07101	12.7
349.13831	1.5
389.97760	1.5
440.47107	1.7
451.14984	2.3
510.16931	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40718	4.6
57.03450	9.7
61.37596	4.6
67.05502	5.7
69.03427	9.2
69.87109	5.5
71.04999	83.0
71.29843	5.8
79.05509	4.7
85.02900	84.5
90.02100	4.6
91.05465	8.7
93.07026	6.4
105.07043	26.3
107.04946	5.4
107.08578	6.1
111.04394	5.9
116.98002	5.2
119.04965	9.0
119.08558	5.9
121.06469	8.7
123.04411	5.6
127.03861	6.5
129.05476	35.0
129.06973	9.2
131.85323	5.1
133.10110	21.5
137.05975	84.0
147.04384	7.8
147.06546	17.9
149.05968	16.8
151.07561	49.0
157.06508	9.6
161.05977	9.8
163.07597	26.4
164.09245	11.1
165.07053	5.2
167.07198	5.3
175.07574	21.0
189.09090	11.7
213.09102	6.5
241.38289	5.4
253.12143	7.3
271.09628	18.4
273.11182	7.4
279.10153	8.4
299.12741	22.1
317.13803	100.0
329.13895	7.1
348.27448	7.9
353.13879	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75326	2.6
56.96552	3.2
69.03434	6.7
69.44659	9.2
69.45071	7.7
73.11702	3.4
73.56331	2.6
79.05476	3.2
83.04955	2.9
84.39204	2.3
84.43462	3.1
85.02910	12.0
91.05483	12.9
93.07034	5.6
97.02890	5.2
98.97585	3.6
103.05520	3.2
105.07032	3.9
107.04959	6.9
109.02951	3.4
111.53101	2.8
113.06004	2.6
117.07032	3.2
119.04952	5.9
121.06513	7.3
123.04420	2.8
131.04910	38.9
131.07700	2.9
131.08521	14.9
132.05560	3.1
133.06474	4.3
137.05980	66.6
147.04372	3.2
147.08037	48.6
151.07544	15.5
159.08075	29.3
163.07492	15.4
165.09175	4.2
173.09608	6.3
177.09094	18.6
189.09126	4.4
195.08046	8.6
197.09599	3.9
209.09549	3.2
219.10208	7.2
222.06740	3.9
223.07561	5.1
237.02933	3.4
237.09132	12.2
251.10536	4.0
255.10144	37.3
283.13309	22.0
296.92322	3.0
301.14319	100.0
302.14743	5.3
313.14346	4.9
348.08011	3.6
447.25058	3.3
511.17090	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28324	2.5
56.66121	2.4
57.03428	3.6
68.96438	2.8
69.58565	6.8
69.58975	9.4
81.07046	4.1
91.05510	4.2
92.04620	2.5
93.07052	4.3
95.08617	3.4
97.34415	2.6
103.05471	8.8
105.07067	2.6
114.00513	2.6
115.05432	2.9
123.07981	3.4
129.07048	2.7
131.04947	19.4
137.05962	28.2
151.07558	17.7
161.05988	4.6
162.06772	4.2
163.07541	37.7
163.11221	3.3
163.48138	2.6
171.08121	2.8
175.07549	2.9
177.09114	100.0
178.09521	4.4
189.09204	2.8
221.11717	17.9
227.10785	3.3
236.48624	3.6
253.08556	3.4
287.12878	4.3
303.69867	3.4
313.14368	6.6
331.15378	15.5
456.22427	3.0
468.75687	2.8
474.23407	8.4
492.24649	6.1
511.17703	4.4
514.42163	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73150	4.8
63.34922	4.6
69.03425	7.1
71.31303	4.7
79.05510	5.0
81.07056	5.3
85.02895	11.6
91.05496	12.0
93.07039	7.3
97.02883	5.5
107.04960	12.2
118.32435	4.9
119.04927	8.8
121.06518	14.3
122.03650	7.3
129.07004	11.2
131.04980	6.1
131.08626	6.2
133.06514	9.2
137.05939	52.6
138.06322	19.8
149.05998	6.5
151.07489	29.7
152.07887	15.6
153.12784	12.2
153.94615	5.2
161.05975	32.3
161.09641	8.2
162.06322	18.8
163.07556	12.2
164.07928	5.0
174.06786	18.0
175.07466	16.4
189.09082	47.1
190.09407	8.1
196.10544	5.5
197.09666	12.8
201.09180	8.4
207.10184	18.0
208.10574	14.4
219.08076	3.4
219.10156	100.0
225.09023	12.2
235.07457	6.0
247.91113	4.7
252.11189	5.9
257.11740	17.3
283.13144	11.6
284.09937	5.7
287.05243	7.6
297.11435	6.0
301.14417	38.7
311.12549	6.1
338.14539	6.8
347.07455	25.0
348.07950	64.5
472.48380	5.2
510.16632	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.6
55.05514	2.1
57.03442	13.9
61.02934	6.1
67.05508	3.8
69.03438	21.4
69.07076	7.2
69.58900	7.8
69.59289	3.5
71.01364	2.7
71.04999	1.6
73.02915	22.4
79.05504	7.9
79.05919	1.5
79.65126	1.6
81.03442	2.4
81.07061	24.1
83.04966	2.3
83.64698	2.0
85.02906	28.3
85.06553	4.6
91.05483	5.0
93.07041	11.3
95.05013	1.9
95.08613	8.0
97.02893	24.3
97.06510	2.6
99.04460	2.1
105.07023	9.4
107.08595	41.3
109.06518	13.9
109.10164	2.7
115.03933	9.4
119.08582	2.6
121.06511	2.6
121.10140	14.4
122.03590	1.9
123.08043	4.3
127.03947	7.6
133.05006	9.5
135.11691	27.4
137.06012	5.1
137.09605	2.8
137.13252	7.0
138.06337	2.4
139.11191	14.0
144.06534	2.7
145.04968	8.6
145.10146	18.6
151.07579	6.4
153.12752	9.3
161.05969	2.1
162.07591	2.7
163.11182	46.8
163.12485	3.0
177.09192	2.1
181.12241	95.8
182.12613	2.5
194.10612	2.1
199.13297	100.0
200.13689	3.1
223.05962	1.8
347.07697	4.0
348.08035	9.4
510.25101	3.8
511.25317	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31762	1.2
55.01871	5.2
55.05514	2.6
57.03436	9.8
59.05001	1.7
61.02923	4.5
67.05505	2.7
69.03425	15.1
69.07060	6.8
69.32430	7.0
69.32845	4.1
71.01340	2.7
71.05006	2.1
73.02913	15.2
79.05502	4.5
81.07052	19.9
83.04980	1.3
85.02898	20.6
85.06535	2.5
87.04465	2.7
91.03978	1.3
91.05474	6.6
93.07037	10.0
95.08622	4.1
97.02885	15.8
97.06548	4.3
102.77231	1.4
105.07014	7.9
107.04899	1.6
107.07871	2.2
107.08594	35.5
109.06530	15.4
109.10159	2.5
115.03931	7.5
117.07017	1.5
119.08548	1.5
121.06483	1.6
121.10119	8.5
122.09744	1.4
123.08057	3.2
127.03909	4.4
129.07060	1.7
132.06587	1.6
133.04971	7.9
134.80103	1.8
135.11691	21.8
135.12686	1.9
137.05984	13.0
137.09627	1.5
138.06319	5.8
139.11195	11.9
144.06657	1.5
145.04980	6.3
145.10100	12.8
150.07642	1.6
151.07552	7.8
152.07886	2.6
153.12738	5.2
161.05981	8.3
162.06351	5.3
162.07655	2.2
163.06076	2.6
163.07492	1.6
163.11174	41.9
163.12476	2.3
164.11496	1.7
176.07852	1.9
181.12230	89.1
182.12538	1.8
183.91460	1.2
189.09129	5.2
190.09431	3.4
195.10117	2.3
196.10641	1.6
199.13292	100.0
200.13625	2.2
207.10167	5.4
208.10446	3.5
241.07033	1.6
252.11206	1.4
284.10434	1.5
286.04849	1.7
297.11063	2.4
298.11707	3.0
312.12994	2.3
315.04309	1.8
328.06433	1.4
333.06030	1.7
347.07584	3.6
348.07883	6.7
372.14563	1.4
456.18860	1.5
516.12512	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.3
55.05509	23.1
67.05514	20.4
69.03433	5.3
70.33389	3.7
71.29969	3.1
71.30395	6.1
79.05488	12.2
81.07056	14.3
83.04978	41.7
91.05486	18.9
91.40172	3.9
93.07035	27.3
95.04965	4.1
95.08614	29.3
103.05493	4.7
105.07008	21.2
107.08588	11.9
111.04433	10.5
111.08084	11.5
117.07037	9.9
118.91031	3.2
119.08578	33.6
121.06461	5.5
121.10163	5.1
123.08007	6.4
126.40012	3.5
128.06221	6.4
129.06993	7.5
131.08553	11.1
133.06450	7.6
133.10133	13.0
135.08078	10.7
139.07491	7.1
141.05463	4.1
141.06975	5.6
142.07826	5.4
143.08554	10.7
144.09209	3.8
145.10109	15.1
147.08043	9.5
147.11681	7.9
149.09550	3.9
153.07127	4.2
155.08549	11.5
156.09370	7.7
157.10136	17.0
159.11696	13.1
161.09616	9.4
165.06999	4.2
167.08438	6.7
169.10190	13.0
171.08022	4.5
171.11693	11.5
173.09683	6.4
175.11172	7.3
179.08626	4.3
180.09406	3.8
181.10071	10.1
183.08081	5.1
183.11719	11.5
185.09586	6.4
185.13243	10.6
187.11189	14.4
189.06978	3.9
191.07010	5.3
192.09247	5.4
193.10167	5.1
194.10846	5.9
195.11655	12.3
197.13298	10.7
199.11232	7.2
201.12756	5.4
206.10754	4.4
207.11676	11.9
209.09634	6.4
209.13229	10.3
211.11252	5.1
213.09120	4.6
213.12691	3.9
217.10077	4.1
218.10977	3.9
219.11691	4.6
220.12466	4.1
221.09668	4.7
221.13315	10.8
223.11143	5.7
223.14651	6.2
225.12640	6.1
235.11201	6.9
235.14700	4.9
239.14281	5.0
247.10942	3.8
259.14764	5.9
261.16379	4.3
263.17856	4.8
266.09317	4.7
273.16434	4.7
281.11612	10.0
287.14078	3.3
287.17972	5.6
301.19250	4.8
313.17889	5.5
336.16489	5.2
375.19357	3.6
376.20370	5.5
403.18732	4.8
411.14233	9.7
413.24164	5.5
429.23975	10.8
431.25800	21.1
439.22430	7.8
457.23648	30.9
458.23431	4.2
475.24719	100.0
476.24884	5.2
492.28778	4.6
493.25662	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
53.81305	3.3
55.01898	3.0
55.05510	8.4
55.20254	3.0
59.39242	3.6
61.57930	2.8
61.75375	3.2
62.69448	2.6
67.05510	11.7
69.03419	4.0
69.34222	22.4
79.05497	7.9
81.07066	9.0
83.04989	19.9
91.05493	14.1
93.07048	14.2
95.08630	20.2
96.81521	3.2
105.07037	17.1
107.04958	4.6
107.08603	7.3
109.06549	4.1
109.10137	4.3
111.04469	13.6
111.08108	5.3
114.96687	2.8
117.07034	5.3
119.08574	21.2
121.06501	5.6
121.10109	3.8
123.08066	4.4
129.07007	10.5
131.08594	8.2
133.10193	7.6
135.08093	4.5
137.09621	13.0
141.06953	4.9
142.07840	4.5
143.08598	10.9
145.10139	11.7
147.08032	4.5
147.11711	6.3
155.08574	12.6
157.10109	12.3
159.08081	4.0
159.11720	9.8
161.09674	4.3
165.07033	3.9
165.09064	5.5
167.08676	5.6
169.10149	13.1
171.11780	7.5
173.09628	4.9
179.08606	7.4
181.10133	10.8
183.11708	8.1
185.09644	6.2
185.13319	6.5
187.11198	4.5
192.09314	7.9
193.08566	4.3
193.10173	7.4
194.10939	3.4
195.08131	4.4
195.11732	8.8
197.13287	6.1
199.14734	3.5
203.08734	3.4
205.10184	4.7
206.10860	5.4
207.11731	11.5
209.13293	12.0
213.12772	3.7
218.10971	4.3
219.11720	5.1
220.12424	5.2
221.09422	4.0
221.13272	7.3
223.11327	4.9
223.14905	3.9
225.12778	5.6
231.11789	5.3
233.13394	6.8
235.11148	5.2
235.14648	3.5
237.12747	5.3
244.12598	4.1
247.11342	3.9
247.14760	5.6
249.16425	5.0
257.13013	3.8
261.16730	3.3
263.14218	3.8
273.16571	5.2
277.15942	6.5
295.13684	3.9
295.16986	4.0
315.17557	3.0
335.20007	3.5
335.29108	3.3
345.18274	4.3
355.15384	3.4
356.15475	4.1
361.17865	5.8
413.24826	3.5
429.24182	14.1
431.25653	3.4
435.21448	10.5
439.22751	5.5
447.24792	4.3
457.23663	25.3
463.38446	3.9
475.24786	100.0
476.25027	11.4
493.25867	11.8
510.23318	22.0
511.23001	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	8.7
62.39004	6.3
67.05505	25.1
69.03408	7.0
69.07056	9.9
69.42830	5.8
79.05486	25.2
81.03395	10.5
81.07063	43.7
83.04987	13.0
91.05468	21.9
93.07040	25.0
95.04978	16.4
95.08594	17.4
97.06507	11.9
97.10121	7.3
105.06999	24.6
107.08593	21.5
109.06510	10.4
109.10162	7.2
111.08044	10.4
119.08584	18.9
121.06523	12.0
121.10148	17.7
123.08035	10.9
129.06989	8.9
131.08528	18.6
133.10072	8.9
135.08046	17.6
135.11690	7.1
137.05989	21.8
137.09665	6.4
143.08554	9.6
145.10107	13.2
147.07996	14.9
147.11685	8.1
149.09618	13.7
151.07497	10.0
157.10144	10.8
159.08083	6.2
159.11726	7.5
161.09676	9.6
163.11131	6.1
165.05455	6.6
168.61787	6.9
171.11742	12.3
175.11244	7.0
181.10120	14.2
185.09619	11.1
189.09149	9.1
189.12735	17.6
191.10483	10.1
193.12250	10.1
211.13219	9.5
228.78638	6.5
230.20638	11.6
256.50327	7.9
271.20648	8.6
295.20590	21.2
313.21591	100.0
331.22650	17.8
373.70880	6.9
405.19913	6.6
492.29877	10.1
510.34540	8.5
511.28412	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	8.7
62.39004	6.3
67.05505	25.1
69.03408	7.0
69.07056	9.9
69.42830	5.8
79.05486	25.2
81.03395	10.5
81.07063	43.7
83.04987	13.0
91.05468	21.9
93.07040	25.0
95.04978	16.4
95.08594	17.4
97.06507	11.9
97.10121	7.3
105.06999	24.6
107.08593	21.5
109.06510	10.4
109.10162	7.2
111.08044	10.4
119.08584	18.9
121.06523	12.0
121.10148	17.7
123.08035	10.9
129.06989	8.9
131.08528	18.6
133.10072	8.9
135.08046	17.6
135.11690	7.1
137.05989	21.8
137.09665	6.4
143.08554	9.6
145.10107	13.2
147.07996	14.9
147.11685	8.1
149.09618	13.7
151.07497	10.0
157.10144	10.8
159.08083	6.2
159.11726	7.5
161.09676	9.6
163.11131	6.1
165.05455	6.6
168.61787	6.9
171.11742	12.3
175.11244	7.0
181.10120	14.2
185.09619	11.1
189.09149	9.1
189.12735	17.6
191.10483	10.1
193.12250	10.1
211.13219	9.5
228.78638	6.5
230.20638	11.6
256.50327	7.9
271.20648	8.6
295.20590	21.2
313.21591	100.0
331.22650	17.8
373.70880	6.9
405.19913	6.6
492.29877	10.1
510.34540	8.5
511.28412	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	4.3
53.03934	5.5
55.01862	6.3
55.05502	24.3
57.03440	6.0
67.05503	56.7
69.03429	17.0
69.07048	14.9
69.83896	10.5
69.84283	8.2
71.04976	4.9
71.08612	13.2
73.02924	4.7
79.05492	31.1
81.03412	7.5
81.07058	80.0
83.04952	8.4
83.08619	16.7
85.02904	43.4
88.34142	5.3
90.50082	4.3
91.05478	28.6
93.07053	46.2
95.04932	8.8
95.08585	25.8
97.02877	13.3
97.06508	9.5
97.10136	5.6
98.23418	6.1
99.04404	5.6
99.08079	16.7
105.07012	20.1
107.04935	5.6
107.08574	26.7
109.10142	9.3
111.08064	11.9
117.07011	9.2
119.08542	13.7
121.10136	15.8
123.11705	9.1
125.09628	10.3
127.03905	12.7
129.06982	5.4
131.08553	9.2
133.10107	20.0
135.11656	16.2
137.05949	7.1
143.08546	7.6
145.04951	9.9
147.11649	9.9
149.13239	35.3
151.11183	16.6
159.11670	18.5
161.06024	6.2
161.13257	7.2
177.12733	11.5
189.11275	6.2
195.13808	100.0
213.14859	72.6
227.65671	4.9
241.19615	6.8
252.75224	5.1
277.21649	43.3
290.95505	4.8
295.22693	28.1
402.76620	4.8
511.11963	7.4
539.41437	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05971	0.4
53.03955	0.9
55.01862	0.8
55.05510	3.0
57.03426	0.5
57.35559	0.5
65.03951	0.6
67.05503	6.1
69.03421	1.8
69.07059	1.2
71.04974	0.7
71.28973	0.7
79.05483	2.7
80.24277	0.4
81.07055	7.1
83.04972	2.3
83.08595	0.6
85.02879	0.6
85.06525	1.8
91.05473	3.2
93.07053	5.3
95.04976	2.3
95.08605	19.5
96.08915	0.8
97.02879	0.5
97.06538	1.0
97.10139	0.4
99.04443	0.8
101.06066	0.6
105.07025	3.5
107.04968	0.8
107.08598	2.9
109.06499	1.5
109.10158	6.3
111.04430	1.4
111.08080	1.2
113.05986	1.9
113.09653	0.8
117.07018	0.8
119.04906	0.4
119.08592	1.9
120.08128	0.5
120.08932	0.7
121.06483	1.5
121.10170	1.3
123.08069	12.8
123.11698	1.5
125.09593	1.1
128.06216	0.6
129.03439	0.4
129.07042	0.8
129.09106	1.0
131.04832	0.7
131.08559	1.6
133.06483	0.8
133.10136	1.4
135.08038	1.9
135.11707	0.7
136.12070	0.5
137.05984	2.5
137.09602	1.9
138.06287	0.7
141.09109	4.0
142.07780	0.5
143.08578	1.1
145.06427	0.7
145.10130	1.3
147.08034	0.9
147.11679	0.9
149.05951	0.6
149.09622	0.7
149.13228	0.8
151.07538	100.0
152.07910	2.1
153.05467	0.8
153.09058	0.5
154.07686	0.6
155.08516	0.9
155.10648	0.6
157.08606	1.2
157.10091	1.4
159.08031	1.7
159.11674	1.0
161.09578	2.2
163.07573	0.8
163.11226	0.9
165.07045	0.7
165.09123	8.2
166.09439	1.2
167.07042	1.0
167.08408	0.6
169.08620	2.3
169.09840	0.5
170.10376	0.5
171.11653	0.8
173.09628	1.3
173.13232	0.5
175.07526	1.1
175.11208	2.2
176.08336	1.1
177.05458	0.5
177.09111	5.2
179.08456	0.6
179.10512	0.5
181.06473	2.0
181.10124	1.0
183.08038	0.6
183.10197	0.9
184.12241	0.4
187.09642	5.2
187.11247	1.3
189.09129	2.1
189.12738	1.3
190.09529	1.0
191.10669	17.5
193.08572	0.8
195.06471	0.7
195.08078	0.7
196.11916	0.5
197.09471	0.8
199.11243	0.8
201.09186	0.6
201.11174	1.5
201.12839	0.6
203.10588	2.1
205.12219	6.3
206.10716	0.6
207.11720	0.5
208.12083	0.6
209.09636	0.7
211.11194	0.9
213.12718	0.5
215.10632	1.0
215.14139	0.5
221.13219	0.8
223.11331	0.7
227.10683	0.5
229.12276	0.8
233.13258	0.6
246.13620	0.6
257.18549	0.6
259.17007	1.5
285.18518	1.0
293.20938	0.6
303.19580	4.9
322.18961	0.6
337.23676	1.6
360.16895	0.9
378.17889	0.7
393.27890	0.7
411.28958	3.6
428.22739	0.5
429.29974	8.0
430.30209	0.9
439.28467	1.3
446.24124	1.0
456.22400	1.3
457.29553	3.1
474.23428	1.5
474.29391	0.7
475.30591	6.4
492.24359	2.3
492.30582	1.0
510.25586	2.3
510.33606	0.7
511.12238	1.0
511.24960	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
53.03966	0.6
53.30204	0.5
55.05517	2.7
61.52633	0.5
65.03945	0.5
67.05506	6.9
69.03422	1.4
69.07064	1.5
69.45148	1.0
69.45560	2.6
71.04989	0.6
72.08440	0.5
79.05494	2.7
81.03428	1.1
81.07055	5.4
83.04980	2.0
83.08617	1.2
85.02889	0.6
85.06531	1.7
91.05479	1.8
91.59970	0.5
93.07063	4.2
95.04950	1.5
95.08609	19.5
97.02884	0.6
97.06545	0.8
97.10194	0.6
99.04460	1.5
100.11250	1.8
105.07030	3.0
105.36549	0.5
107.04961	0.6
107.08602	2.3
108.05748	0.7
109.06497	1.3
109.10158	4.1
111.04461	1.7
111.08126	0.8
113.00529	0.6
113.06001	1.2
113.09621	1.4
117.07066	0.8
119.08566	1.9
121.06541	1.3
121.10147	1.2
123.08073	12.0
123.11707	1.9
126.06400	0.5
129.06946	0.5
129.09021	0.5
131.08580	1.5
133.10153	1.2
135.08080	1.7
135.11624	0.6
137.05943	1.0
137.09613	1.9
141.09125	4.2
143.08611	0.5
145.10114	1.3
147.08121	0.9
147.11700	0.8
149.09612	1.2
151.07544	100.0
152.07904	2.5
155.10684	0.9
157.08656	0.8
157.10124	0.9
159.11690	0.7
160.90202	0.6
161.09660	0.9
161.13251	0.6
163.11205	0.8
165.09120	5.9
166.09435	1.0
167.07103	0.7
169.08607	1.9
171.11736	1.0
173.09627	1.3
175.07480	0.5
175.11182	1.8
176.08324	0.8
177.09109	4.2
182.15396	0.8
187.09647	5.6
187.11153	0.9
189.09090	1.9
189.12778	1.3
191.10672	14.4
193.08629	0.7
195.06493	0.7
199.11232	0.6
201.09189	0.6
203.10657	1.8
205.12218	5.5
209.08040	0.7
210.14833	0.6
211.13242	0.7
217.12291	0.9
231.13751	0.6
259.16809	0.7
285.18539	0.7
293.21051	0.6
303.19577	2.9
317.21069	0.8
325.23605	0.7
337.23758	2.1
393.27744	1.0
411.28934	3.5
429.29990	5.3
457.29840	2.5
474.29575	0.8
475.30618	4.8
480.52444	0.6
492.24054	0.9
492.30334	2.9
510.34637	0.9
511.26312	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.3
57.03407	0.5
57.07071	3.0
58.06602	1.5
60.08162	16.0
63.95249	0.3
67.05491	1.2
69.07064	0.9
71.07379	7.1
71.08627	1.7
71.32491	0.3
71.56078	0.3
79.02070	0.3
81.07056	1.0
83.08611	0.6
85.10180	1.3
86.09706	50.0
87.10013	0.7
89.06053	0.4
93.07033	0.4
95.08614	1.5
98.98460	4.0
104.10743	100.0
104.18579	0.4
105.06999	0.4
105.11095	1.3
109.10133	1.1
125.00005	29.1
163.01558	0.8
169.78705	0.3
170.09541	0.4
184.07341	98.3
185.07689	1.2
194.46381	0.4
208.75235	0.4
240.09952	0.4
258.11014	1.2
267.18201	0.4
313.27530	0.5
327.28891	1.3
433.26938	0.4
446.13431	0.4
478.80713	0.4
492.34567	7.8
493.34866	0.5
505.28146	0.4
510.35602	22.2
511.15991	0.4
511.35382	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	3.7
67.05493	4.9
69.07068	7.9
69.20451	20.5
69.20864	6.8
72.08167	4.2
78.79491	3.4
79.05487	5.2
80.89485	3.1
81.07055	5.6
83.05006	5.5
91.05497	9.7
93.07050	8.8
95.08603	16.1
97.06537	3.3
105.07056	12.8
107.08617	8.2
109.06496	4.2
109.10168	4.2
117.06995	6.0
119.08594	12.0
121.10130	8.2
129.06966	4.4
131.08603	5.5
133.10147	9.1
135.08099	3.5
141.06966	3.9
142.07764	3.6
143.08571	14.2
145.10141	10.8
147.08118	4.4
147.11726	9.8
155.08521	5.5
156.09496	3.4
157.10175	10.5
158.59869	3.7
159.11711	10.7
161.09648	6.8
169.10114	9.5
171.11736	7.7
173.18073	3.7
175.11284	4.3
179.10583	3.7
181.10069	7.6
183.11708	15.2
185.13347	6.8
191.10738	5.6
194.10913	3.6
195.11723	5.7
197.13123	3.9
209.13206	8.5
211.11055	4.0
211.14838	7.9
223.14865	8.0
225.12720	3.5
227.14159	5.2
247.80830	3.4
251.14265	5.5
253.15849	4.5
271.16931	18.0
307.20541	6.2
325.21591	22.5
419.29587	11.2
429.27847	7.6
447.28860	18.1
465.30017	100.0
466.30142	7.1
510.27545	3.6
511.33862	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	6.1
61.56639	2.7
64.77014	2.5
67.05512	10.9
69.07071	4.0
69.14436	7.5
69.14855	15.3
71.08622	2.6
79.05519	6.2
81.07050	14.7
83.04990	3.8
91.05489	9.1
93.07059	11.6
95.04933	2.8
95.08591	19.9
97.06512	2.5
98.23413	4.7
98.73422	2.7
105.07030	11.7
107.08595	10.0
109.10161	6.3
117.07027	5.1
119.08593	16.1
121.10143	4.9
129.07021	6.6
131.08583	14.9
133.10167	8.2
135.08073	4.8
135.11705	4.1
139.07576	3.6
141.07022	3.3
143.08583	14.9
145.10123	9.6
147.11743	4.8
149.09743	3.0
155.08566	6.3
157.10115	16.0
159.11693	9.2
161.09624	6.6
161.13295	5.7
167.08607	4.3
169.10161	17.2
171.11713	9.8
173.09651	3.3
173.13426	3.3
179.08588	3.4
181.10124	5.7
183.10371	2.7
183.11632	13.6
185.09592	5.1
185.13324	3.6
193.10275	5.1
195.11693	10.1
197.13272	12.9
199.11246	3.5
207.11761	6.2
208.12396	3.0
209.13225	14.1
209.42259	3.1
211.14813	7.3
219.11620	4.0
221.13333	5.7
223.11214	2.8
223.14772	13.0
225.12781	5.9
225.16350	3.5
237.12798	4.6
237.16367	8.0
239.14287	5.1
247.14856	4.3
249.13051	3.7
251.14291	8.6
253.15903	3.6
265.15891	6.4
265.19632	4.0
267.17505	4.5
269.15402	6.5
271.16895	7.1
281.15161	3.3
283.17029	3.2
289.19482	3.0
297.18750	3.7
305.18909	4.0
307.20624	9.6
325.21613	19.8
333.22372	3.0
351.23004	3.1
387.22910	3.5
401.28571	5.4
405.23880	3.1
419.29529	4.0
429.28058	16.5
447.28940	28.5
448.29398	4.1
456.97800	3.3
465.30057	100.0
466.30325	11.0
510.35767	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.1
56.32949	1.2
57.07081	2.6
58.31057	1.3
58.72523	1.2
64.30079	1.3
65.92498	1.3
67.05497	5.8
69.07081	3.6
69.28866	9.3
71.08649	1.4
79.05484	2.6
81.07037	7.2
83.04997	3.2
83.08649	1.6
84.80173	1.6
86.09706	1.8
89.06060	2.3
91.05483	3.4
93.07034	7.1
95.04989	2.9
95.08608	12.4
97.06458	1.4
97.10149	1.7
98.23338	2.7
104.10751	4.5
105.03406	5.0
105.07049	5.2
107.08605	6.2
109.06509	2.5
109.10174	3.2
111.04445	2.0
111.08096	2.0
119.08589	10.3
121.06516	1.5
121.10152	4.6
123.08076	2.3
125.09661	1.6
131.08580	3.7
133.10117	4.9
135.08076	4.6
135.11697	3.0
143.08528	4.5
145.10147	5.1
147.11690	3.7
155.08557	6.3
157.10152	7.2
159.11717	5.8
161.09637	4.1
166.73917	1.4
167.07101	2.0
169.10175	3.6
171.11688	4.4
173.09651	1.7
173.13370	2.3
181.10052	2.3
183.11710	4.9
184.07397	4.5
185.09503	1.5
187.11160	1.7
189.12715	2.1
193.10091	2.3
195.11676	3.3
197.13290	3.4
199.11313	1.9
199.14926	1.4
201.12714	2.4
207.11736	2.9
209.13173	3.0
211.14989	1.8
213.12856	1.6
221.13249	3.4
222.13953	1.9
223.14822	2.2
237.16409	1.7
239.14281	1.7
241.10202	1.5
241.15901	4.8
251.14319	2.5
253.16002	1.9
261.16446	1.9
267.17505	2.5
279.17462	3.9
289.19592	2.1
307.20490	10.4
325.21527	1.6
333.22357	1.6
339.29156	1.5
349.21216	1.6
388.10269	1.5
401.28354	1.4
411.26471	1.8
412.69568	1.4
419.29462	3.6
421.27258	3.9
429.27936	13.4
447.28940	100.0
448.29437	8.5
465.30032	32.5
466.30386	2.8
486.71701	1.3
510.35779	19.1
511.35504	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74057	2.8
55.05512	5.2
57.07072	37.5
67.05508	4.7
69.07071	10.1
69.28673	25.6
71.08638	38.3
71.50841	3.1
73.06562	4.0
79.05492	4.7
81.07027	5.1
83.08637	7.7
85.10181	17.3
87.04494	7.9
87.43158	2.6
89.06036	100.0
91.05486	3.7
91.40878	2.9
95.08595	4.5
97.10157	4.4
98.23348	7.3
103.87668	3.0
107.07075	3.8
107.08643	4.7
133.08598	49.1
148.27437	3.9
177.11264	13.5
193.37326	3.5
236.71539	3.0
283.17599	14.1
299.29483	4.7
340.05685	3.4
492.24252	4.0
493.40921	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45284	3.5
53.03946	4.5
55.01892	3.0
55.05503	7.6
57.03440	3.6
61.58849	3.4
65.03919	5.5
67.05508	15.9
68.99786	4.1
69.03423	19.9
69.07067	7.0
69.55755	16.9
70.06565	3.6
79.05502	21.3
81.03426	7.8
81.07057	86.9
83.04983	9.5
91.05470	28.0
93.07066	18.9
95.04971	10.5
95.08605	18.5
95.60215	3.2
97.02905	3.7
97.06544	3.8
104.84134	3.6
105.07021	25.7
105.70238	3.7
107.04937	7.5
107.08596	15.9
109.02901	5.5
109.06518	34.0
109.10171	5.3
111.04438	4.0
111.08070	4.5
114.77119	3.7
115.05439	5.9
117.07034	13.5
119.04951	4.0
119.08596	19.2
121.06481	9.6
121.10156	8.9
123.04435	7.5
123.08072	10.2
124.18874	3.4
128.06244	5.3
129.06998	6.8
131.04901	4.5
131.08543	20.2
133.06525	13.2
133.10120	9.8
135.08023	16.9
137.02367	15.6
137.05975	100.0
137.07043	5.6
139.07567	4.2
139.79720	3.6
141.06989	7.6
142.07793	7.7
143.08563	14.9
145.06479	11.0
145.10097	21.4
147.08025	15.3
149.09558	3.7
151.03920	6.0
151.07552	8.0
151.66339	3.9
154.07794	4.2
155.08548	27.9
156.09354	4.5
157.10135	13.8
159.08022	8.8
159.11696	15.2
161.09599	10.8
163.07594	6.2
163.11247	4.0
165.07042	4.9
167.08537	7.5
169.10167	19.3
171.08128	4.9
171.11693	6.3
172.08920	4.1
173.09634	20.1
174.10481	3.9
175.07588	9.5
175.11203	11.1
177.09100	4.0
179.08546	6.4
181.10168	10.3
183.11682	6.5
185.09682	8.7
187.11208	16.8
189.09126	13.0
189.12805	9.2
190.13556	9.2
191.07079	7.0
191.10867	4.3
192.09410	4.3
193.10149	6.0
195.11867	3.9
197.09677	6.8
197.13292	7.4
199.11166	5.9
201.08978	6.5
203.10765	5.3
207.11749	8.4
209.09613	4.0
209.13330	8.0
211.11224	9.6
213.09183	4.4
213.12733	5.7
215.10664	7.9
218.09148	5.4
223.11147	6.6
225.12749	11.7
227.14398	7.8
229.12181	7.4
231.10165	14.6
233.11700	7.3
235.11319	5.6
239.10561	4.1
239.14418	5.3
247.13330	7.5
249.12785	4.2
267.13849	7.3
268.14529	3.9
269.15158	6.2
277.05420	3.7
281.11615	4.6
293.15509	4.0
359.20865	4.7
377.21268	4.4
387.19669	5.0
405.20660	42.6
406.21127	5.0
415.19086	5.2
423.21619	7.1
433.20078	22.6
439.22879	4.2
447.21503	12.1
451.21133	79.5
452.21475	12.0
465.22723	10.1
475.20758	7.7
493.22345	13.3
511.22684	5.8
511.30524	4.8
536.25726	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01870	2.9
55.05518	3.9
57.07080	1.3
65.03929	1.4
67.05499	7.5
68.99792	3.4
69.03427	16.1
69.07094	2.3
69.20914	11.7
79.05487	21.0
81.03426	3.3
81.07057	81.7
82.07349	1.4
83.04961	3.4
87.37808	1.3
91.05472	22.1
93.07047	9.0
95.04983	9.7
95.08614	12.0
97.02923	3.1
97.06530	1.4
98.23389	3.1
103.05518	1.6
105.07033	21.0
107.04973	3.1
107.08604	11.7
109.02878	3.3
109.06524	38.7
111.04480	3.4
115.05466	5.4
117.07024	15.1
119.04931	2.8
119.08586	15.2
121.06518	8.4
121.10166	2.7
123.04450	3.7
123.08083	4.3
125.09638	1.4
128.06187	8.5
129.07008	14.1
130.07817	3.7
131.04993	2.4
131.08575	12.9
133.06458	8.4
133.10127	8.7
135.04420	2.2
135.08057	12.6
137.02333	19.4
137.05975	100.0
141.06984	11.3
142.07770	4.3
143.08563	19.1
144.09306	1.7
145.06502	10.1
145.10106	15.1
146.10606	1.4
147.08034	12.2
147.11679	3.0
149.05992	4.5
149.09602	3.0
151.07552	4.3
153.06973	3.1
154.07860	3.6
155.08545	29.1
156.09360	4.3
157.06497	1.8
157.10124	10.7
159.08089	8.2
159.09224	1.3
159.11691	9.3
160.08878	2.8
161.06000	4.0
161.09590	10.2
163.07518	8.2
165.05585	1.8
165.07027	3.5
166.07828	2.4
167.08595	5.2
168.09326	2.9
169.10101	17.8
171.08038	7.5
171.11691	6.6
172.08867	2.7
173.06082	3.2
173.09618	27.0
174.06792	2.2
175.07562	7.0
175.11166	5.8
177.09113	2.9
178.07852	1.4
179.07040	5.4
179.08592	6.1
180.09283	2.1
181.10107	7.9
182.10803	1.7
183.08066	3.1
183.11656	6.8
185.09618	6.2
185.13269	4.9
187.07570	2.2
187.11188	15.6
189.09135	15.7
189.12775	4.9
191.07066	4.1
191.08614	2.2
192.09319	5.7
193.10187	5.1
193.31198	1.5
194.10909	4.6
195.08093	2.4
195.11729	6.0
197.09657	5.8
197.13208	6.9
199.07632	1.7
199.11192	2.7
201.09120	3.9
201.12607	2.2
203.07063	3.7
203.09071	1.7
203.10606	8.0
203.14378	1.8
205.10277	3.0
205.12231	2.7
206.10919	2.9
207.11641	11.6
208.12361	1.6
209.09624	3.1
209.13231	9.2
210.10378	2.0
211.11241	4.5
211.14853	3.0
212.11772	1.5
213.09186	5.4
213.12761	5.7
215.10728	2.5
216.07854	3.8
217.08672	5.2
218.09445	2.4
219.10094	2.0
221.13274	5.6
223.11131	2.8
223.14905	2.9
225.12694	11.7
227.10733	1.7
227.14331	13.8
229.12253	7.1
231.10101	19.4
231.11989	1.4
233.11626	2.2
235.11237	2.6
235.14809	1.8
237.12813	3.5
239.10674	2.5
239.14308	2.8
240.15147	2.6
241.12329	1.7
241.15872	3.9
241.30458	1.4
243.13899	1.8
247.13252	17.5
249.12810	3.3
251.14470	2.5
253.12238	2.0
255.13873	3.3
255.17598	2.2
261.12695	2.0
267.13873	3.7
268.14603	2.8
269.15417	2.6
279.56671	1.4
281.11813	1.7
285.15060	3.4
286.70880	1.5
291.13351	1.4
315.15717	2.4
315.19354	2.1
329.17657	1.5
355.19101	3.3
359.20258	1.8
375.18375	1.8
377.21115	2.7
382.07471	1.4
387.19635	5.5
405.20581	77.8
406.20917	7.1
415.18936	5.7
421.23517	7.7
423.21793	3.1
429.20575	3.2
433.20065	23.7
434.20163	2.0
447.21664	10.0
451.21146	65.2
452.21494	5.7
465.22546	4.7
467.24329	1.9
475.21014	3.4
493.22324	4.8
511.23114	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01842	0.8
65.03939	1.2
69.03429	1.7
69.04360	8.4
76.11617	0.9
79.05496	2.1
79.82397	0.7
81.07065	2.0
83.04933	1.0
91.05483	8.4
93.07055	1.1
94.04204	4.2
98.23347	1.9
103.05496	4.2
105.07026	2.1
107.04963	1.5
107.08588	1.2
109.06528	2.2
111.04409	1.0
115.05471	2.1
117.07004	1.9
119.04940	3.4
121.06528	1.8
122.03659	11.1
123.04533	0.9
128.06215	2.1
129.07034	2.1
131.04927	4.6
133.06525	2.4
135.08080	1.0
135.11662	0.7
137.05984	100.0
137.12888	0.8
138.06288	2.8
143.08582	1.0
145.06505	1.8
147.04401	1.2
149.05928	2.6
151.03879	1.0
151.06375	1.6
151.07547	22.1
153.05449	1.1
153.06984	1.7
155.08559	1.0
157.06511	1.7
159.08046	1.4
159.11665	1.0
161.06006	3.9
163.07555	11.6
165.07030	3.7
165.09184	1.2
167.07124	1.8
167.08560	3.4
169.06467	1.5
171.08095	2.1
174.06787	2.2
175.07544	4.3
177.09081	2.1
181.06458	1.6
182.07303	1.7
187.07541	1.7
189.09131	5.2
191.08588	1.1
193.06488	2.7
194.07350	1.0
195.08096	4.3
196.08791	1.2
199.07367	1.1
200.08217	0.9
201.09134	1.4
203.10654	4.6
210.06781	2.7
221.05980	4.5
223.07571	2.3
224.08339	1.4
225.09123	4.3
227.10698	4.8
235.07518	1.5
238.06320	1.3
239.10579	1.5
240.07928	1.3
247.11119	1.1
252.07857	1.6
253.08652	5.5
255.10124	5.0
267.10159	4.1
285.11267	9.6
287.12781	9.9
291.13791	1.2
305.11823	0.9
313.14389	2.1
319.13226	1.9
325.14383	1.3
351.15756	3.6
415.19128	2.7
443.18530	2.1
451.16156	1.3
475.21127	1.9
483.63599	0.9
511.23041	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	13.3
55.01871	13.1
55.05511	38.1
57.03433	14.6
57.07066	6.1
59.05002	5.1
65.03947	4.5
67.05503	76.6
69.03420	19.7
69.07069	24.3
69.85924	3.6
71.04998	8.1
71.18795	9.8
79.05493	64.1
81.03419	60.5
81.07057	100.0
83.04980	47.8
83.08623	24.9
85.02906	27.2
85.06547	9.9
91.05479	83.1
92.05802	3.6
93.07040	89.8
95.04967	39.9
95.08602	68.3
96.08968	3.7
97.02908	13.5
97.06537	17.4
97.10163	9.2
99.04456	6.8
99.08115	4.4
105.06381	6.2
105.07034	66.2
107.04968	11.5
107.08584	44.7
108.08893	4.6
109.02919	6.5
109.06497	28.4
109.10154	27.0
111.04443	26.6
111.08083	15.9
114.64609	3.6
115.05486	7.3
116.06202	3.9
117.07019	29.3
119.04957	5.0
119.08590	56.3
121.06517	30.6
121.10156	41.2
123.04460	5.2
123.08040	20.8
123.11702	13.3
125.05977	5.1
125.09615	6.1
127.03897	6.3
128.06201	12.4
129.07013	26.5
130.07762	6.0
131.04886	5.6
131.08572	44.5
133.06491	14.4
133.10112	34.2
135.08043	25.8
135.11696	16.6
137.05981	36.8
137.09631	6.7
139.03920	5.8
139.07588	9.2
139.11194	5.0
141.07005	13.6
142.07761	19.8
143.08548	29.0
145.06493	13.5
145.10114	30.7
147.04430	8.5
147.08028	31.6
147.11676	24.7
149.05948	8.3
149.09616	13.4
149.13272	6.3
151.07599	11.8
151.11154	5.8
153.05453	9.6
154.07751	6.0
155.08560	22.0
156.09332	7.9
157.06526	5.1
157.10101	26.9
159.08102	13.1
159.11693	14.7
161.05960	5.2
161.09619	23.7
163.07565	8.4
163.11235	16.2
165.05594	5.7
165.07024	11.5
165.09039	5.2
165.12740	5.0
166.07755	7.8
167.07034	14.2
167.08556	10.6
169.06490	7.4
169.10153	19.0
171.08012	15.3
171.11702	16.8
173.06018	4.7
173.09618	18.4
175.07513	19.4
175.11201	20.4
175.14731	3.9
177.09116	10.8
179.07117	5.1
179.08554	14.6
179.10591	4.3
180.09344	6.4
181.10117	19.1
181.12160	8.2
183.08037	6.4
183.11650	9.8
185.09634	17.2
185.13213	6.9
187.11124	13.4
189.09143	14.5
189.12743	8.4
191.10664	11.9
192.09291	8.6
193.08543	8.4
193.10165	19.6
193.12254	31.8
194.10802	6.5
195.08011	11.6
195.11696	13.4
196.08900	5.3
197.09627	16.7
197.13261	10.9
199.11171	15.0
199.14604	5.3
201.09105	7.6
201.12682	6.8
203.10645	5.3
205.10240	7.6
205.12244	6.6
206.10910	5.2
207.11719	16.9
209.09616	27.0
209.11742	25.0
209.13429	7.6
211.11223	16.9
211.13301	43.1
211.14886	5.9
212.08345	7.0
213.09074	11.1
213.12694	10.0
215.10741	6.3
217.12085	4.4
218.10933	5.1
219.11652	11.4
219.13612	5.9
221.09631	16.1
221.13228	15.4
222.10385	6.9
223.11180	12.0
223.14848	5.7
225.12691	13.7
227.10643	9.7
227.12645	5.2
229.10155	5.7
229.12245	5.2
231.11743	6.1
232.12361	8.8
233.13284	11.8
235.11137	13.5
237.12805	11.7
239.10709	7.8
239.14340	5.3
241.12236	10.9
243.11772	5.9
244.12302	4.5
245.09604	6.9
245.13187	6.3
246.10466	4.8
247.07509	4.6
247.11203	8.7
247.14911	5.0
248.11967	5.1
249.12735	11.7
251.14301	6.4
253.12274	9.0
256.12238	4.7
257.13354	6.3
259.11267	6.6
259.15121	6.6
260.11777	4.5
261.12775	12.6
261.16449	6.7
263.14359	5.6
265.12158	6.8
267.16046	7.1
271.11053	5.6
271.14777	6.3
273.12646	4.6
275.10846	4.1
275.14261	8.2
276.15051	5.6
277.15918	4.7
279.17200	4.9
281.11642	10.9
283.15399	13.4
287.14130	4.8
288.14813	4.4
289.15912	11.1
291.13867	6.8
291.17374	7.7
293.15506	4.7
295.13263	6.6
301.16089	4.8
303.13873	5.4
303.17358	5.0
307.13196	5.0
307.16843	4.9
309.14719	4.8
315.13736	6.2
317.15182	4.6
319.16992	5.9
335.16577	5.1
388.46567	4.5
405.24207	8.1
407.21945	4.7
411.18893	8.4
411.23703	7.6
415.22812	5.2
429.19626	7.7
429.24432	14.9
433.24173	5.5
447.25345	14.0
451.24982	5.6
457.23553	16.3
457.29617	7.9
465.26703	6.0
475.25455	33.8
475.31104	6.2
493.27023	22.6
511.12579	5.8
511.29529	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2687
Annotation	Applanoxidic acid F
Peak:m/z	Relative Intensity
51.75711	1.4
55.05500	2.4
60.62116	1.4
64.49123	1.5
67.05495	3.4
69.08611	7.4
69.09035	5.1
79.05476	3.1
81.07047	4.6
90.47968	1.4
91.05480	5.3
93.07046	7.3
95.04986	2.0
95.08614	10.3
97.06491	1.5
98.22610	2.1
105.07044	7.2
107.08602	5.2
109.06505	1.8
111.04390	1.7
111.08083	2.7
117.07014	3.4
119.08585	5.7
121.06499	3.3
121.10136	2.4
123.08030	2.1
131.08582	4.4
131.45586	1.3
133.10162	4.1
135.04478	1.6
135.08072	4.0
137.05957	1.6
139.07549	1.4
143.08589	3.5
145.06528	2.1
145.10124	5.1
147.08002	1.5
147.11719	2.0
155.08546	2.0
156.09306	1.6
157.10133	4.9
159.08121	3.1
159.11700	3.4
161.09650	3.5
163.07547	10.8
167.07108	2.7
167.08554	1.6
169.10156	2.3
171.11713	2.0
173.09579	2.0
175.11151	3.0
181.10028	1.6
182.10838	1.5
183.11699	2.6
185.09645	2.0
187.23529	1.5
193.10118	3.1
195.11740	3.0
197.13324	1.7
201.12874	1.7
207.11743	1.3
209.08060	9.1
209.13284	2.3
210.14107	1.7
213.09087	1.8
221.13249	1.6
223.11127	1.7
225.12743	2.2
227.14354	1.7
237.12784	1.7
241.12128	1.7
247.14766	1.7
249.12981	1.6
253.12186	2.5
261.16602	1.7
263.17981	1.4
267.17322	1.3
291.17517	1.6
297.18411	1.6
301.82410	1.7
307.16907	2.5
315.19568	4.8
365.20764	1.7
367.18631	3.3
368.18762	1.4
369.19522	1.7
405.24142	2.5
423.25073	2.1
429.24246	6.4
431.25620	1.9
439.23096	1.7
447.25311	15.6
448.25269	2.5
464.27225	1.7
465.26169	5.0
475.24561	5.2
483.27426	10.7
493.25821	23.9
493.63925	1.4
494.25607	1.6
511.26624	100.0
512.26813	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2694
Annotation	Applanoxidic acid F
Peak:m/z	Relative Intensity
55.01874	12.1
55.05511	17.6
57.07090	15.1
67.05507	36.0
69.03441	26.8
69.07088	16.8
71.04984	8.8
78.30205	8.6
79.05510	54.7
81.03420	16.5
81.07050	100.0
83.05002	14.7
91.05484	41.8
93.07037	43.5
95.04967	25.4
95.08624	33.2
97.02893	15.3
105.07057	38.8
107.08575	42.9
109.06532	33.2
109.10155	21.4
111.08085	11.3
117.07021	22.7
119.08575	41.2
121.06557	16.9
121.10144	11.0
123.08058	12.0
123.11693	7.7
128.06290	9.4
129.07057	19.4
131.08589	26.1
133.10143	19.0
135.08109	13.7
135.11751	11.6
137.05954	88.2
137.09657	8.9
138.04559	7.6
141.07007	17.6
142.07777	11.9
143.08589	20.5
145.06483	10.5
145.10155	34.1
147.08055	20.2
155.08582	39.5
157.10124	23.0
159.08026	16.3
159.11653	7.9
161.05911	10.3
161.09641	12.0
167.08444	8.9
169.10052	14.7
171.11720	20.4
173.09644	30.0
175.07529	9.9
175.11218	12.9
178.07767	9.1
179.08452	12.3
181.10080	11.1
183.11748	14.8
185.09627	12.5
187.11217	14.5
189.09059	9.0
189.12735	8.8
191.68797	7.7
192.07639	8.0
192.09529	7.4
193.10199	7.9
193.12294	9.8
194.10884	8.8
195.11746	13.7
197.09637	13.4
197.13290	27.9
199.11188	9.1
207.11681	17.1
209.13277	12.2
213.12720	10.6
221.13330	15.3
223.11148	18.4
225.12799	9.8
227.14342	17.7
229.19440	9.1
243.13908	10.2
244.12440	9.3
245.13309	11.1
249.12689	11.7
267.13785	11.0
269.13483	8.8
405.20712	31.8
411.23282	10.3
433.19943	17.3
439.22552	10.3
451.20996	64.8
457.23523	24.6
458.23996	11.0
475.24725	39.6
493.25403	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2694
Annotation	Applanoxidic acid F
Peak:m/z	Relative Intensity
53.03949	3.8
55.01864	6.7
55.05488	3.4
59.05010	4.0
59.60306	3.4
65.03917	3.8
67.05511	13.0
69.03436	13.6
69.03919	15.3
69.04340	14.9
70.04800	2.8
71.11855	3.1
75.95720	3.0
78.65347	2.9
79.05494	13.1
81.07046	14.6
83.04980	4.0
85.02917	4.3
91.05496	31.0
92.12457	3.7
93.07056	16.0
95.04978	7.8
95.08617	11.5
97.06539	4.0
98.22543	5.2
103.05425	4.4
105.07026	23.9
107.04947	6.9
107.08591	11.8
109.06524	12.0
109.10162	5.9
111.04433	8.4
115.05442	8.2
117.07021	14.9
119.04911	3.6
119.08582	26.9
121.06516	10.7
121.10159	7.0
123.08051	4.7
125.05972	3.9
128.06250	5.0
129.06998	12.3
131.08560	18.8
133.06506	4.1
133.10143	15.2
135.08055	19.1
137.05971	13.1
141.06976	13.0
142.07794	8.0
143.08620	18.6
145.06482	10.8
145.10101	19.2
146.07211	3.6
147.08054	53.5
147.11693	5.0
149.09612	5.8
153.05482	13.0
153.06862	4.8
154.07840	6.4
155.08531	20.0
156.09317	6.4
157.06500	13.8
157.10083	18.2
158.07312	4.1
159.08083	22.0
159.11736	9.9
161.09618	18.2
163.07559	6.6
165.07024	5.2
165.09126	11.1
166.07722	5.0
167.08580	8.8
168.09305	6.2
169.10153	15.2
171.08070	13.1
171.11687	18.2
173.09607	26.9
175.07544	12.0
175.11157	7.7
177.09142	13.1
178.07742	4.1
179.08543	13.4
180.09364	6.6
181.10149	12.8
182.10843	4.2
183.08089	9.6
183.11667	12.3
185.09612	10.8
185.13206	4.2
187.07631	6.0
187.11215	5.1
189.09085	6.1
193.08733	3.4
193.10104	16.3
194.10884	5.1
195.08107	8.3
195.11736	9.9
196.08813	5.5
196.12411	3.9
197.09586	15.6
197.13258	5.9
198.10304	4.1
199.11209	16.3
201.07457	3.4
201.09148	9.5
201.12721	5.6
203.10698	4.8
204.09273	5.3
205.10219	6.0
206.11028	5.4
207.11761	7.4
209.09627	15.2
209.13229	11.7
211.11159	19.2
211.14835	7.6
213.09065	6.3
213.12830	7.8
213.16539	3.4
215.10637	5.4
216.61215	3.2
217.12106	4.4
219.09975	4.6
219.11821	5.7
221.09668	11.3
221.13255	6.2
222.10329	5.0
223.11121	18.2
223.14726	7.2
224.11897	4.1
225.09192	5.4
225.12756	10.4
232.12321	3.8
233.09676	6.9
233.13289	5.5
235.11160	13.0
237.12975	7.6
237.16376	4.4
238.13371	4.8
239.10648	16.8
239.14394	8.7
241.12198	5.1
245.13298	4.2
246.10324	3.4
247.14777	5.5
249.12823	6.5
251.14340	8.3
253.12334	8.1
253.15897	3.7
257.15387	8.3
259.14893	4.8
261.12695	6.9
263.14478	6.8
265.15787	4.1
269.15546	5.0
273.12686	7.7
275.14285	7.4
279.13812	3.5
279.17142	4.3
281.15204	4.2
291.13876	7.7
303.17245	3.7
331.16928	4.2
349.17685	5.2
359.20105	5.8
367.19104	3.5
371.16177	4.6
371.20264	5.7
373.21561	3.8
381.18283	4.2
383.24063	4.0
385.20187	6.6
387.19498	3.9
389.17047	4.0
389.21530	4.4
391.22763	4.5
393.22275	9.2
399.19482	10.4
411.23236	10.6
417.20593	11.7
421.21280	8.4
429.24307	22.5
432.22897	5.0
435.21475	13.1
439.22824	18.8
447.25311	46.7
448.25693	7.9
457.23825	40.1
458.23938	8.3
465.26602	6.0
475.24817	100.0
476.25055	10.3
493.25629	28.3
511.26324	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	14.0
55.05516	21.4
56.01397	7.9
57.19757	9.3
59.07334	8.1
66.92123	9.4
67.05506	33.6
69.03412	9.5
70.37830	7.5
71.29625	16.1
79.05496	29.4
81.03423	55.6
81.07053	23.4
83.04978	44.5
84.97951	8.0
89.15369	8.3
91.05461	52.6
93.07061	59.7
95.05006	23.2
95.08620	56.0
105.07053	45.1
106.41953	8.2
107.08603	27.3
109.06511	16.9
111.04460	24.5
111.08080	29.2
115.05457	12.9
117.07045	18.5
119.08578	100.0
120.08920	10.8
121.06529	30.6
121.10149	16.9
123.08095	22.4
128.06213	23.2
129.07036	27.6
131.08572	32.2
132.44485	8.2
133.06447	19.2
133.10117	62.7
135.08060	12.3
139.07556	24.2
141.06963	16.6
142.07799	18.6
143.08562	36.1
145.06450	15.5
145.10141	36.0
147.08064	18.5
147.11722	22.6
149.09645	11.8
154.07826	9.5
155.08543	26.1
156.09352	14.2
157.06589	9.8
157.10123	36.7
159.08044	21.3
159.11734	19.6
160.08688	10.2
161.05988	10.7
161.09605	20.8
163.07550	8.7
165.07001	16.1
167.08583	19.7
169.10178	27.8
171.08084	19.9
171.11690	29.1
173.09654	24.1
173.13307	13.5
175.07613	20.8
179.08659	20.9
181.10109	21.3
183.08115	11.9
183.11739	16.6
185.09589	22.6
185.13257	10.5
187.07536	14.5
187.11205	16.5
189.09180	11.9
192.09410	10.3
193.10109	19.7
195.08025	16.4
195.11674	20.1
197.09627	15.3
197.13284	12.5
199.11250	11.5
199.14771	12.2
207.11734	28.0
209.09579	15.6
209.13318	13.9
210.10077	10.6
210.30998	9.6
211.11121	27.3
213.09128	17.4
213.12862	12.7
219.11725	14.6
221.13347	26.1
223.11151	23.4
225.12788	20.5
227.10696	16.5
227.14330	15.6
230.10785	10.1
231.11914	11.4
233.13252	11.7
235.11188	11.5
237.12730	12.7
239.10661	14.9
239.14247	27.7
245.15443	20.9
246.13896	10.0
251.14244	11.2
253.12280	18.1
257.15417	19.4
263.14246	10.4
265.15759	9.0
273.12811	11.1
275.14328	11.6
277.16077	13.5
289.16058	10.0
307.16763	10.9
319.17053	11.6
325.17993	13.8
333.18619	13.9
337.17993	36.5
358.18756	9.2
402.81641	9.4
411.23138	14.3
421.21149	13.0
429.24246	28.4
430.24719	10.0
431.25949	14.3
433.23428	10.7
439.22531	21.2
447.25366	21.4
449.27002	13.1
457.23584	61.6
458.23724	11.7
475.24838	62.9
476.24954	30.6
493.25845	41.6
494.25830	11.1
511.26733	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2703
Annotation	Applanoxidic acid F
Peak:m/z	Relative Intensity
53.03933	15.3
67.05508	19.2
69.00601	15.2
69.03431	15.0
69.22076	100.0
79.05495	19.0
81.03414	43.4
81.07043	17.1
83.04955	33.3
91.05463	39.0
93.07053	35.3
95.08594	52.0
105.03394	50.5
105.07022	48.7
106.03733	14.7
111.04454	13.5
111.08076	16.4
117.06972	20.4
119.08571	76.3
121.06490	32.3
131.08601	23.9
132.57330	15.1
133.10129	34.6
142.07756	25.4
143.08525	36.7
145.10120	19.8
147.08023	20.9
147.11650	19.5
155.08562	28.4
157.10199	21.6
159.08081	19.0
161.09624	27.6
169.10130	29.2
171.11600	14.3
173.09579	23.1
181.10214	17.1
183.11656	20.7
185.09569	20.3
187.07530	16.1
189.09029	17.0
195.11649	18.6
197.13237	15.7
209.13272	16.5
211.11185	18.2
213.09070	26.8
223.11311	17.3
231.11765	16.1
235.11134	16.1
236.08752	13.7
237.12697	16.7
239.14317	25.5
275.13959	17.0
277.11996	14.8
297.62421	14.2
306.97726	13.5
337.17929	36.6
439.22470	20.6
447.25443	19.9
457.23761	47.9
458.24176	16.0
475.24802	53.3
476.24686	35.5
493.25830	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.3
55.01858	2.8
55.05507	20.5
63.93854	2.2
65.03944	6.6
67.05513	24.3
68.99798	3.9
69.03430	6.7
69.07064	5.0
71.31826	2.8
79.05502	24.1
81.03425	5.9
81.07056	17.9
83.04990	33.7
91.05476	37.1
93.07053	35.6
95.04987	15.1
95.08612	46.8
97.06524	4.4
101.82282	2.5
105.03417	4.8
105.04563	2.5
105.07030	28.7
107.04987	5.1
107.08601	31.7
107.22957	2.2
109.06488	12.6
109.10148	10.9
109.69089	2.2
111.04417	5.9
111.08095	9.9
112.55215	2.1
115.05470	7.7
117.07020	19.3
119.04950	2.7
119.06136	3.2
119.08586	29.0
120.25414	2.3
121.02872	6.7
121.06496	17.2
121.10159	12.3
123.08096	20.0
125.02334	4.6
125.05904	2.8
125.09601	3.8
128.06236	6.8
129.06993	8.6
131.04915	4.0
131.08607	12.7
133.10123	15.1
135.04413	2.5
135.08073	27.1
135.11676	3.8
137.05989	7.2
137.09657	3.9
139.03900	3.2
139.07562	5.8
141.07043	5.7
141.09059	2.5
142.07782	9.8
143.08582	15.4
144.09329	3.6
145.06497	10.2
145.10141	16.4
147.08043	11.6
147.11711	5.1
149.05978	5.2
149.09639	5.7
154.07816	2.4
155.08533	14.4
156.09361	5.4
157.10138	19.0
158.78021	2.7
159.08093	11.3
159.11681	15.0
161.06017	3.8
161.09628	13.9
161.13272	4.3
163.07547	97.0
163.11220	5.0
165.07007	7.1
167.07053	18.7
167.08528	6.6
169.10123	15.9
170.10968	3.5
171.08116	4.7
171.11702	12.0
173.09650	11.6
173.13268	5.3
175.11212	16.8
177.12708	4.4
179.08578	9.1
180.09302	3.5
181.08705	2.6
181.10139	10.8
183.08052	4.4
183.11722	9.5
185.09595	5.5
185.13269	5.6
187.07552	5.5
187.11206	15.5
189.12753	7.6
191.07059	11.0
192.09319	3.0
193.10149	7.9
194.10892	8.3
195.11748	9.0
197.09648	6.4
197.13242	9.4
199.11232	5.8
199.14830	5.6
201.09082	4.0
201.12767	10.9
205.10242	2.7
206.10872	3.7
207.11716	11.7
208.12364	3.5
209.08057	100.0
209.13272	10.8
211.11081	11.7
211.14908	6.1
213.09091	3.0
213.12767	7.5
217.10159	4.3
217.12270	3.6
219.11781	5.7
220.12364	3.2
221.09860	3.6
221.13223	7.5
222.13954	2.4
223.11163	8.8
223.14813	6.4
225.12749	7.2
227.10722	3.9
227.14268	4.6
229.12352	3.2
231.11880	3.7
235.11182	6.2
235.14864	5.4
237.12724	6.9
238.09996	2.5
239.10704	5.5
239.14369	5.6
241.12231	5.7
245.13185	3.1
245.15343	2.9
247.14845	6.7
249.12875	6.9
249.16449	4.3
251.17928	4.2
253.12215	3.7
255.13881	2.8
257.15540	2.5
259.14853	3.4
261.12997	3.4
261.16306	4.6
263.14355	4.1
265.15619	3.5
267.13803	2.9
269.18933	2.8
275.14310	4.5
277.12512	3.5
277.15823	7.9
278.16293	2.7
279.13910	2.4
279.17471	3.4
289.15805	4.9
293.15256	5.5
295.16833	8.3
297.18588	10.0
307.16962	4.5
315.19559	33.1
321.18323	5.5
327.19574	6.6
335.16211	5.0
345.20709	7.1
353.17554	2.6
379.18719	2.6
389.24832	5.3
397.20120	3.6
399.23129	3.8
401.24643	4.0
411.23648	3.4
417.24313	19.7
419.25891	4.1
429.24203	6.2
435.25235	8.8
437.26669	4.2
439.22137	2.8
447.25198	11.2
457.23596	9.2
465.26483	8.4
475.24744	26.3
476.24838	6.4
493.18625	3.3
493.25836	63.5
494.26117	5.7
511.26880	35.9
511.33856	3.4
512.27582	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.1
55.01868	15.3
55.05510	13.0
67.05493	29.6
69.03426	17.9
69.06461	59.9
79.05494	34.2
81.03403	9.3
81.07076	43.0
83.04985	37.8
85.02891	14.1
91.05484	66.4
93.07042	64.8
95.04958	15.5
95.08593	59.4
97.06538	14.0
99.04462	11.1
105.07034	68.5
107.08592	37.4
109.02901	11.4
109.06525	31.3
109.10103	9.9
111.04428	25.4
111.08067	20.7
117.07019	20.4
119.08562	44.3
121.06499	43.1
121.10175	16.8
123.08077	12.4
127.03861	8.8
128.06198	8.9
129.06990	21.4
131.04929	8.8
131.08559	48.8
133.06479	16.4
133.10132	34.9
135.08043	31.4
135.11725	12.5
137.05981	54.6
142.07794	17.8
143.08560	38.5
145.06473	22.6
145.10106	28.4
147.08044	27.0
149.06078	7.5
151.07539	37.6
154.07780	11.9
155.08553	21.8
156.09309	9.3
157.10144	25.9
159.08051	42.2
159.11696	13.7
160.08662	8.2
161.06033	16.3
161.09604	47.4
163.07544	14.1
165.06935	16.7
167.08595	9.1
168.24655	8.8
169.10136	29.5
171.08072	18.9
171.11713	23.8
173.09628	24.4
175.07529	19.2
175.11169	8.4
177.09134	17.1
179.08572	18.3
181.04947	11.0
181.10181	21.3
183.08067	8.6
183.11644	17.8
185.09618	13.3
187.07605	10.5
187.11183	21.3
189.09137	17.6
191.10735	13.8
193.10165	16.8
194.10838	9.1
195.11673	24.2
196.08868	10.5
196.12343	10.0
197.09610	33.8
197.13216	9.1
199.11124	20.0
201.09140	8.8
203.08649	12.3
203.10683	31.3
205.10153	9.9
205.12105	10.5
207.11787	21.7
209.09683	17.8
209.13226	21.4
211.11180	21.8
213.12753	15.6
215.10701	26.9
218.10846	10.9
219.11725	15.2
221.13217	18.0
222.10213	8.8
223.11140	18.7
225.12738	10.7
231.11722	16.4
233.09636	11.8
233.13281	13.5
235.11169	14.1
237.12813	28.4
239.10722	11.7
241.12314	14.3
243.11606	10.5
243.13867	11.0
247.11018	11.3
249.12859	15.7
251.14227	18.4
255.13907	12.5
259.14746	14.9
274.13712	10.1
275.10596	9.3
275.14304	13.3
277.15851	11.2
279.13693	19.0
317.08466	10.0
317.15268	12.4
319.16879	15.4
321.15009	11.2
335.16373	14.0
353.17508	9.5
361.02377	10.6
361.17920	31.4
379.19156	41.7
411.22995	17.1
415.22498	13.5
429.24188	21.7
431.25919	15.1
439.22781	44.3
447.25455	18.3
457.23828	84.3
458.24091	17.2
475.24875	100.0
475.30811	16.8
476.25089	12.6
493.25961	38.4
493.31943	10.2
511.17682	50.1
511.25467	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	15.8
55.01886	12.2
55.05500	36.5
67.05512	64.4
69.03425	23.2
69.07055	20.7
69.08830	36.4
69.09245	75.0
69.85986	10.6
73.29228	12.3
79.05496	51.0
81.03427	13.6
81.07059	94.5
83.04987	47.6
83.08641	12.1
85.02905	20.1
91.05481	68.5
93.07056	67.7
93.78741	10.6
95.04952	18.7
95.08597	84.5
99.04441	14.5
105.07018	71.8
107.08598	44.3
109.06487	22.7
109.10164	43.6
111.04442	46.0
116.06190	12.4
117.07012	20.4
119.08566	32.7
121.06499	19.9
121.10127	28.0
123.04436	21.8
123.08047	23.0
123.11679	15.4
128.61929	12.0
129.06995	17.5
131.08589	28.2
133.10139	33.0
135.08080	28.8
137.06003	83.5
139.07570	16.2
141.06996	12.4
142.14767	11.2
143.08543	42.9
145.06563	15.3
145.10121	29.4
147.08063	15.2
151.07538	46.3
153.05461	14.9
153.99486	10.1
154.07800	15.1
155.08554	28.0
157.10144	31.5
159.07988	20.6
159.11688	12.5
161.05981	50.0
161.09572	27.0
162.06290	23.5
165.07016	21.6
165.09114	13.0
167.07179	17.1
167.08559	24.4
169.10143	31.1
171.11714	17.4
173.09634	20.8
173.13197	12.1
173.30022	11.6
175.07544	20.2
175.11150	13.7
179.08531	20.2
180.09315	15.1
181.04959	20.0
181.10181	14.0
183.11700	18.2
185.09642	31.8
189.09081	35.9
190.09412	13.3
191.10828	13.8
193.10101	19.3
195.06520	29.5
195.08127	21.1
195.11757	24.5
197.09631	18.9
197.13191	15.8
199.11241	19.6
203.08759	14.8
203.10756	15.2
205.10222	11.8
205.12163	12.7
207.10115	27.1
207.11818	20.3
211.11176	19.4
215.10678	17.5
217.10175	13.0
219.11722	14.8
221.09709	17.0
221.13354	22.3
222.14021	13.2
223.09566	26.9
227.10739	18.4
229.10257	12.4
231.11603	14.3
237.12849	23.0
245.13167	11.8
247.15025	11.2
259.10989	15.9
260.11975	14.7
261.12381	9.8
271.14780	14.0
335.18430	19.0
372.79120	11.2
411.22870	19.1
429.24048	50.0
431.25970	15.5
439.22812	30.4
457.23804	100.0
457.29172	18.5
458.24075	25.6
468.46756	10.9
468.92947	10.9
475.24414	66.7
475.30554	49.7
493.25565	34.3
493.31491	28.5
511.26920	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.2
51.83324	1.2
52.40769	1.2
52.96609	1.1
53.03944	8.6
55.01876	50.4
55.05514	58.3
57.03439	23.2
57.07072	18.0
59.04995	2.1
65.03942	7.0
66.04733	1.2
67.05505	77.2
68.06300	1.5
69.03431	22.6
69.07066	21.5
70.04225	2.3
71.01357	2.1
71.04998	11.1
71.29053	2.1
73.02922	5.4
74.07103	1.5
78.04713	1.3
79.05495	88.0
80.05840	2.6
80.06276	1.6
81.03421	100.0
81.07060	75.1
82.03764	2.2
82.04199	10.7
82.07400	2.3
83.04980	51.3
83.08619	42.3
84.02126	2.2
84.05779	2.9
85.02908	41.7
85.06554	5.4
87.04475	1.6
91.05482	87.4
93.07047	50.8
94.04184	1.6
94.07860	3.1
95.04969	61.0
95.08610	32.2
96.05800	1.7
97.02898	10.1
97.06534	24.2
97.10167	13.1
98.03670	1.8
98.07322	18.6
99.04457	2.9
99.08106	2.8
103.05512	2.0
105.04503	1.5
105.07030	53.2
107.04967	14.5
107.08591	27.9
107.09286	2.1
109.06525	14.4
109.10152	13.4
110.07345	2.2
111.04430	9.3
111.08082	25.7
113.06022	5.9
115.03926	2.3
115.05472	4.6
116.04711	4.3
117.05495	2.9
117.07010	7.8
119.08586	43.6
120.09346	2.4
121.06512	6.7
121.10130	19.5
123.04336	1.5
123.08078	16.1
123.11719	4.3
125.06014	2.7
125.09631	17.2
127.07597	1.7
127.11212	10.4
128.06245	4.8
129.05487	5.5
129.07005	22.0
130.07806	1.8
130.20142	1.5
131.08563	29.1
133.06519	5.2
133.10132	26.0
134.10512	1.3
135.08067	7.1
135.11681	7.7
136.08833	2.2
137.06010	4.2
137.09619	6.5
137.13275	2.5
137.63171	1.4
139.07553	5.7
141.07048	2.6
142.06815	1.4
142.07809	6.1
143.07144	1.7
143.08591	4.7
145.06548	2.1
145.10112	9.9
147.08052	7.7
147.11688	28.7
149.09624	15.1
151.11192	1.7
153.09117	2.6
153.12708	3.0
154.42880	1.4
155.08635	3.8
157.08786	2.1
157.10123	27.4
158.05753	15.6
158.06987	2.2
159.06587	2.3
159.08116	3.7
159.11746	2.9
161.09624	2.3
163.11188	7.1
164.11961	2.7
165.07088	1.3
165.12762	8.3
167.07033	1.8
169.10188	3.3
171.06551	23.9
171.07980	3.2
171.11731	2.4
173.09682	4.2
175.11176	27.4
177.09097	3.1
179.08624	1.8
181.10085	2.0
181.12317	1.5
183.11688	1.9
185.08141	6.7
185.09616	2.0
187.11214	1.5
189.09178	2.0
189.11238	2.0
190.04785	3.2
191.10550	2.3
192.09418	1.4
192.11540	2.0
193.10333	3.3
193.12238	89.3
194.12624	3.7
195.11760	1.6
197.09663	1.7
199.09647	8.1
199.11372	2.8
199.13350	5.8
201.14764	2.8
207.11832	2.5
209.09657	2.2
209.11505	2.1
210.12570	3.7
211.11288	3.8
211.13287	82.3
212.13660	3.4
213.11272	3.6
223.11145	3.2
226.12019	3.0
227.12714	10.9
229.14244	1.7
231.11873	1.6
237.12958	1.9
239.14427	1.5
241.14243	2.9
242.15187	6.9
255.12134	2.0
255.13345	1.6
255.15919	17.0
256.16428	1.6
267.15842	7.4
269.17511	3.1
283.15622	2.4
283.19138	5.7
284.16006	1.7
285.16946	7.5
297.20618	2.6
298.17838	4.0
311.18549	8.5
311.22299	6.2
325.20233	4.1
325.23807	3.4
326.24673	2.4
339.18103	20.4
339.21790	8.6
353.19556	2.5
353.23441	3.6
367.21268	7.2
367.25293	2.5
381.22800	4.2
382.27374	4.7
395.24408	4.0
409.25900	6.7
433.24048	2.0
437.25363	1.6
447.25378	3.1
451.24606	2.4
457.24454	1.7
458.24286	2.2
465.28693	3.6
475.24969	4.8
476.27228	1.7
493.27029	7.1
494.28934	6.4
511.29056	50.8
512.29303	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
61.67441	0.3
66.67014	0.3
69.53140	1.8
70.06577	0.4
80.76459	0.3
85.02927	0.3
86.09746	0.4
97.52113	0.3
98.22630	0.3
103.05489	0.4
106.53645	0.3
107.08566	0.4
109.96626	0.3
115.05420	0.7
117.07010	2.7
143.07292	1.5
144.08076	100.0
145.08415	3.7
153.12750	1.4
155.06062	0.3
161.10741	14.5
162.11037	0.6
163.03839	0.3
178.67732	0.3
181.06448	0.4
199.03929	0.9
200.04205	0.5
214.29549	0.3
216.03941	0.3
217.07713	0.3
263.03342	0.6
284.06348	0.6
319.20404	0.3
331.12790	0.4
337.03397	0.7
511.18381	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3395
Annotation	Leptofuranin C
Peak:m/z	Relative Intensity
55.05511	1.4
55.77674	1.1
57.07077	5.3
60.11105	1.0
66.74466	1.2
67.05497	1.9
70.06590	2.0
71.08631	2.7
71.32307	1.8
81.07065	2.7
83.04979	2.4
85.10191	1.7
86.09710	3.6
88.07632	2.2
89.06025	5.4
89.75127	1.0
91.05502	2.3
93.07047	3.3
95.08607	3.9
97.06577	1.1
98.01132	1.1
100.09813	1.2
100.76306	1.1
102.09237	1.3
104.10769	7.0
105.07028	2.4
106.98464	1.1
107.08577	2.8
108.30025	1.2
111.04411	1.2
119.08609	2.4
123.04407	1.4
123.08059	1.1
124.99995	2.5
133.08611	3.8
145.10106	1.3
153.05478	1.9
167.07031	4.0
173.09561	1.4
177.11319	1.1
184.07291	5.4
185.07777	1.5
221.11945	1.3
235.13356	2.1
256.26294	6.2
283.26382	4.9
330.19812	1.2
340.75345	1.2
343.78433	1.4
453.29715	16.5
454.30283	1.7
493.32797	20.0
494.33298	1.4
495.39722	1.4
511.34012	100.0
512.34143	11.6
512.50476	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01873	8.3
55.05511	1.0
57.03439	14.2
59.04992	1.0
61.02935	5.6
61.82123	0.5
62.38309	0.5
62.40006	0.5
63.42201	0.5
65.03927	1.1
67.05505	1.4
69.03429	15.1
69.07082	0.6
71.01343	3.2
71.04978	3.2
72.04513	1.3
73.02915	13.9
77.03925	0.6
79.05488	1.6
81.03409	2.2
81.07043	2.4
83.04977	0.9
83.08574	0.5
85.02904	33.8
86.03239	0.7
87.04460	2.2
91.03940	0.8
91.05472	2.1
93.03401	0.6
93.07010	1.2
95.04975	1.6
95.08611	2.2
97.02893	23.3
97.06515	1.5
98.23396	0.8
99.04444	2.5
103.03938	1.6
103.05439	1.4
103.19350	0.5
105.07020	2.2
107.08594	1.1
109.02864	2.5
109.06503	2.5
109.10151	0.9
111.04417	1.3
114.05533	0.8
115.03933	9.8
115.05402	2.6
116.06212	2.1
116.07042	0.5
117.07034	1.6
119.08600	1.7
121.06518	1.8
123.04438	0.6
123.08052	1.7
123.11656	0.6
125.05968	1.0
127.03911	9.8
128.06227	4.4
129.05527	1.2
129.07025	3.8
130.07802	1.3
131.04887	0.9
131.08577	1.0
132.05685	1.9
132.06577	2.4
133.04958	17.8
133.06488	0.8
133.10118	1.0
135.08041	0.9
137.05975	2.1
141.06990	1.8
141.12755	0.5
142.07774	2.1
143.08521	1.6
144.05658	0.6
145.04965	11.7
145.06348	1.2
145.10114	1.4
146.07182	0.7
147.04445	0.9
147.08067	1.2
150.07607	4.7
151.07433	0.5
152.06180	1.2
153.06976	6.1
154.07797	2.8
155.08553	7.0
156.09181	0.6
156.22754	0.6
157.06421	0.8
157.10129	1.1
159.08052	1.2
159.11612	0.8
163.06038	4.5
163.07278	0.9
165.05640	1.1
165.06975	7.5
165.09087	0.9
166.07831	0.5
167.07047	0.6
167.08575	2.0
168.05722	7.2
169.10129	2.3
171.08057	7.8
171.11700	1.2
173.09636	0.9
175.07504	0.7
178.07738	1.2
178.61333	0.6
179.08600	1.5
180.09021	0.6
181.06497	0.9
181.10136	1.7
182.07263	3.0
183.08055	100.0
183.17511	0.6
184.08426	4.3
185.09616	4.0
185.23703	0.6
191.08551	0.6
193.04947	0.7
193.10170	1.3
194.07256	0.6
195.08072	2.8
195.11732	1.6
197.09607	14.6
198.06714	0.6
201.09114	7.4
206.06972	0.6
207.08046	2.3
207.11826	0.7
209.09660	3.3
211.07628	0.6
218.07210	0.7
219.08076	1.4
221.09631	6.6
221.13164	0.7
222.10196	0.7
223.07608	1.6
223.11165	1.6
223.14691	0.7
225.09102	6.3
231.11855	0.9
233.09601	1.5
235.11137	1.6
235.14784	0.6
237.09070	5.7
237.12775	0.7
237.16483	0.8
239.10658	0.9
241.06979	1.7
249.09142	3.7
249.12810	0.9
251.10722	1.5
251.14294	2.1
253.15855	1.0
259.08002	1.0
261.08990	1.0
263.10666	2.3
263.14255	1.0
267.10098	2.1
273.09076	0.6
279.10172	3.2
279.13376	0.6
279.17340	0.9
281.11859	1.0
291.10416	3.1
291.13470	0.9
293.18909	1.1
295.10242	0.6
297.11230	2.1
309.11163	5.6
311.20007	1.4
327.12363	3.0
327.15622	0.8
387.21588	1.2
407.22165	5.1
419.22256	2.9
420.24640	0.8
435.17935	0.8
437.23105	1.6
465.22543	0.7
469.25620	0.9
476.31042	0.8
483.23605	1.2
513.25116	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52275	3.2
66.68154	3.0
67.05506	3.7
69.03442	3.3
69.07061	5.9
70.56031	10.1
71.04994	21.6
79.05486	5.1
81.07038	3.8
83.04977	5.6
85.02906	27.0
95.08598	10.2
97.02921	4.6
103.05478	7.2
105.07036	3.6
108.51750	3.5
109.10154	20.7
110.27295	3.5
111.04421	4.6
112.53999	3.4
113.09618	18.4
117.06987	3.4
123.04481	4.8
127.11208	6.0
129.05492	8.8
131.04932	12.1
132.06827	3.3
133.06563	3.2
133.10072	3.6
135.11638	3.3
137.05977	37.9
151.07545	7.1
161.05988	4.4
163.07553	43.8
167.07010	5.0
169.12248	7.0
175.11102	4.5
177.09113	100.0
177.10611	6.5
187.13278	10.7
195.10190	4.4
221.11708	31.0
326.57950	3.7
355.41882	3.4
451.19379	4.5
494.66043	3.5
512.18286	8.2
513.19946	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76744	2.8
53.41235	2.8
55.05511	11.8
55.31690	2.7
67.05517	16.5
69.03418	6.1
69.07033	4.4
69.71086	5.9
69.71487	10.7
70.70000	2.9
73.50665	2.6
79.05489	12.8
81.07040	16.3
83.04968	16.5
91.05482	28.9
92.32481	2.6
93.07043	36.9
93.99613	2.6
95.04974	7.0
95.08616	33.0
97.06538	4.9
98.22704	3.5
99.04495	2.9
103.05450	4.1
104.77229	2.7
105.07030	32.1
106.07387	3.7
107.05003	3.9
107.07978	3.5
107.08582	20.7
109.06487	8.0
109.10152	6.1
111.04445	14.1
111.08080	11.5
115.05421	5.3
117.07022	15.5
118.07361	2.7
119.04949	4.5
119.08583	37.0
121.06501	10.5
121.10131	7.3
123.08086	13.9
123.11666	2.9
128.06169	6.9
129.07031	15.4
131.08560	16.6
133.06505	7.3
133.10129	18.4
135.08049	12.4
135.11758	3.3
137.06033	3.6
139.07478	3.8
141.06985	8.7
141.09090	2.7
142.07802	13.3
143.08571	24.0
145.06502	8.9
145.10121	26.3
147.08060	14.3
147.11700	12.3
149.09595	3.4
154.07794	4.8
155.08557	11.2
156.09312	8.0
157.10123	28.9
159.08017	10.3
159.11671	18.8
161.05974	9.4
161.09602	10.4
163.07483	16.2
163.11166	5.2
164.07875	5.9
165.07004	8.2
166.07808	3.4
167.07187	3.1
167.08517	6.4
169.10127	16.9
170.10725	5.5
171.08023	11.1
171.11714	19.0
173.09662	8.9
173.13190	5.4
175.11220	8.8
178.07874	3.1
179.08554	9.7
180.09386	4.4
181.10063	14.1
182.10831	6.4
183.08038	5.3
183.11679	12.4
184.12405	3.8
184.25055	3.0
185.09557	15.2
185.13297	10.6
187.11176	11.1
189.12730	7.6
190.98294	3.1
192.09337	3.9
193.10106	8.2
195.08150	3.9
195.11664	14.5
196.08864	3.3
196.12411	4.7
197.09665	8.0
197.13231	8.8
198.13733	3.7
199.07509	4.3
199.11209	9.2
201.09131	6.4
201.12770	6.8
205.10033	3.3
206.10919	5.5
207.11694	11.3
208.12105	3.0
209.08089	9.1
209.09746	4.1
209.13245	16.5
210.08461	6.2
211.11200	7.9
211.14847	5.0
212.11688	3.4
213.09085	11.8
213.12752	9.2
215.10666	6.3
218.10774	3.1
219.11703	8.4
220.12387	5.0
221.09578	5.5
221.13249	10.1
222.10400	4.0
223.11253	15.5
223.14818	5.5
225.09172	4.5
225.12712	10.4
227.10678	4.1
227.14317	6.9
231.11806	3.9
231.13834	3.3
233.09628	3.3
233.13303	5.4
235.11209	8.1
235.14818	7.9
237.12721	12.5
237.16365	5.5
239.10672	3.9
239.14275	4.9
239.18237	2.9
241.12257	19.5
247.11200	5.8
248.12027	4.3
249.12589	6.4
249.16406	5.9
251.14296	5.4
258.14020	4.9
261.12930	4.2
261.16553	3.5
262.13416	3.2
263.14377	5.8
265.12128	5.7
266.21759	3.4
273.12506	3.3
273.16464	4.3
275.14215	5.3
275.17859	4.2
276.14960	3.7
277.12323	5.9
277.15790	9.8
279.17334	4.7
281.15274	3.7
291.14069	3.8
291.17514	9.4
299.14462	3.3
301.15842	7.5
303.17053	3.6
305.19147	3.6
309.18439	6.9
319.16849	15.4
337.17953	21.1
347.20203	4.8
355.18988	24.3
399.22961	3.6
413.24872	6.0
417.24371	7.8
430.24420	3.9
431.25922	26.5
432.26117	5.0
433.27136	4.8
435.25037	5.2
441.24374	29.5
449.26843	3.7
459.25299	96.5
460.25513	8.3
468.24857	3.4
477.26318	100.0
478.26529	9.2
494.26083	16.8
495.27420	45.3
496.28049	6.2
512.27118	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76744	2.8
53.41235	2.8
55.05511	11.8
55.31690	2.7
67.05517	16.5
69.03418	6.1
69.07033	4.4
69.71086	5.9
69.71487	10.7
70.70000	2.9
73.50665	2.6
79.05489	12.8
81.07040	16.3
83.04968	16.5
91.05482	28.9
92.32481	2.6
93.07043	36.9
93.99613	2.6
95.04974	7.0
95.08616	33.0
97.06538	4.9
98.22704	3.5
99.04495	2.9
103.05450	4.1
104.77229	2.7
105.07030	32.1
106.07387	3.7
107.05003	3.9
107.07978	3.5
107.08582	20.7
109.06487	8.0
109.10152	6.1
111.04445	14.1
111.08080	11.5
115.05421	5.3
117.07022	15.5
118.07361	2.7
119.04949	4.5
119.08583	37.0
121.06501	10.5
121.10131	7.3
123.08086	13.9
123.11666	2.9
128.06169	6.9
129.07031	15.4
131.08560	16.6
133.06505	7.3
133.10129	18.4
135.08049	12.4
135.11758	3.3
137.06033	3.6
139.07478	3.8
141.06985	8.7
141.09090	2.7
142.07802	13.3
143.08571	24.0
145.06502	8.9
145.10121	26.3
147.08060	14.3
147.11700	12.3
149.09595	3.4
154.07794	4.8
155.08557	11.2
156.09312	8.0
157.10123	28.9
159.08017	10.3
159.11671	18.8
161.05974	9.4
161.09602	10.4
163.07483	16.2
163.11166	5.2
164.07875	5.9
165.07004	8.2
166.07808	3.4
167.07187	3.1
167.08517	6.4
169.10127	16.9
170.10725	5.5
171.08023	11.1
171.11714	19.0
173.09662	8.9
173.13190	5.4
175.11220	8.8
178.07874	3.1
179.08554	9.7
180.09386	4.4
181.10063	14.1
182.10831	6.4
183.08038	5.3
183.11679	12.4
184.12405	3.8
184.25055	3.0
185.09557	15.2
185.13297	10.6
187.11176	11.1
189.12730	7.6
190.98294	3.1
192.09337	3.9
193.10106	8.2
195.08150	3.9
195.11664	14.5
196.08864	3.3
196.12411	4.7
197.09665	8.0
197.13231	8.8
198.13733	3.7
199.07509	4.3
199.11209	9.2
201.09131	6.4
201.12770	6.8
205.10033	3.3
206.10919	5.5
207.11694	11.3
208.12105	3.0
209.08089	9.1
209.09746	4.1
209.13245	16.5
210.08461	6.2
211.11200	7.9
211.14847	5.0
212.11688	3.4
213.09085	11.8
213.12752	9.2
215.10666	6.3
218.10774	3.1
219.11703	8.4
220.12387	5.0
221.09578	5.5
221.13249	10.1
222.10400	4.0
223.11253	15.5
223.14818	5.5
225.09172	4.5
225.12712	10.4
227.10678	4.1
227.14317	6.9
231.11806	3.9
231.13834	3.3
233.09628	3.3
233.13303	5.4
235.11209	8.1
235.14818	7.9
237.12721	12.5
237.16365	5.5
239.10672	3.9
239.14275	4.9
239.18237	2.9
241.12257	19.5
247.11200	5.8
248.12027	4.3
249.12589	6.4
249.16406	5.9
251.14296	5.4
258.14020	4.9
261.12930	4.2
261.16553	3.5
262.13416	3.2
263.14377	5.8
265.12128	5.7
266.21759	3.4
273.12506	3.3
273.16464	4.3
275.14215	5.3
275.17859	4.2
276.14960	3.7
277.12323	5.9
277.15790	9.8
279.17334	4.7
281.15274	3.7
291.14069	3.8
291.17514	9.4
299.14462	3.3
301.15842	7.5
303.17053	3.6
305.19147	3.6
309.18439	6.9
319.16849	15.4
337.17953	21.1
347.20203	4.8
355.18988	24.3
399.22961	3.6
413.24872	6.0
417.24371	7.8
430.24420	3.9
431.25922	26.5
432.26117	5.0
433.27136	4.8
435.25037	5.2
441.24374	29.5
449.26843	3.7
459.25299	96.5
460.25513	8.3
468.24857	3.4
477.26318	100.0
478.26529	9.2
494.26083	16.8
495.27420	45.3
496.28049	6.2
512.27118	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	16.3
61.52689	9.1
67.05494	15.2
70.54520	24.3
79.05493	9.9
81.07062	14.2
83.04974	23.0
91.05491	13.4
93.07039	23.2
95.08584	21.0
96.98146	10.3
105.07021	20.6
107.08586	18.3
119.08564	37.2
128.06195	10.3
129.07024	11.2
131.04962	11.1
133.10095	15.2
135.08067	12.9
143.08542	17.4
145.10132	19.7
157.10141	21.8
159.08054	13.8
159.11665	12.6
169.10095	21.3
173.09615	15.0
179.08492	10.9
183.11813	18.0
185.09552	10.4
187.06982	9.8
187.11253	12.9
197.13229	15.0
199.10930	14.5
201.12859	12.3
207.11569	14.3
213.12752	15.0
221.13120	14.9
225.12634	11.0
237.12775	12.6
239.14392	14.8
276.91953	10.9
291.17209	10.9
327.19440	15.2
431.25647	34.9
441.23987	14.7
459.25397	69.4
477.26193	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79901	4.0
55.05520	6.9
60.17431	3.7
65.85940	3.3
67.05499	20.2
68.87713	3.5
69.07063	6.6
69.19582	27.6
75.56891	3.3
75.91460	3.7
79.05492	9.9
81.07047	17.7
83.04975	10.0
88.32546	3.6
91.05469	22.8
93.07043	29.6
94.18970	3.9
95.04966	14.2
95.08618	39.5
97.06539	4.9
98.22548	6.1
105.07041	32.8
107.08594	23.3
109.06514	5.8
109.10186	9.1
111.04469	11.2
117.07039	9.8
119.08590	36.3
121.10169	17.5
123.08086	16.6
129.07025	10.8
131.08577	22.6
133.10110	19.2
135.08072	9.1
141.09070	5.2
142.07785	7.0
143.08554	25.5
145.06421	4.6
145.10127	15.9
147.08072	16.3
147.11731	5.5
149.09549	5.2
153.05482	3.9
153.06889	3.6
155.08566	13.1
156.09309	5.4
157.10138	27.3
157.78888	4.1
159.11725	12.4
161.09595	8.7
161.13280	3.7
163.11246	5.4
167.08499	8.9
169.10156	17.3
171.08058	7.4
171.11671	13.2
173.09631	6.0
173.13301	6.7
174.72298	4.8
175.11153	10.4
179.08525	8.9
181.10120	8.6
182.10852	6.0
183.08086	7.3
183.11652	18.8
185.09615	10.9
185.13226	10.4
187.11197	8.5
187.14911	3.6
192.09389	5.7
193.10150	11.5
194.10982	4.2
195.08070	4.5
195.11717	12.7
197.09767	5.3
197.13240	10.3
199.11234	5.1
199.14813	6.0
201.12723	6.5
203.10510	4.6
205.10191	5.2
206.10863	7.4
207.11691	14.1
207.13611	4.0
208.12363	5.2
209.09608	5.5
209.13234	20.0
211.11174	8.5
211.14856	8.2
213.12761	5.8
219.11639	7.7
219.13713	3.8
221.13246	15.0
222.13931	3.7
223.11179	6.4
223.14832	9.9
225.12845	9.4
225.16403	4.7
227.14317	7.1
233.13252	11.0
235.11172	5.5
235.14842	6.8
237.12743	9.0
239.07054	8.2
239.14259	8.3
247.14699	6.8
249.16357	6.9
251.18008	5.7
256.26477	5.8
257.11557	4.5
260.15402	4.5
261.16315	4.9
263.14377	5.2
263.17911	8.7
265.12238	4.1
277.15729	4.9
281.11798	10.1
281.14975	4.3
283.13330	17.1
293.19040	16.3
297.18466	5.0
309.14960	4.9
315.19604	15.5
319.20334	5.1
323.16321	6.2
337.17981	13.2
351.23248	4.3
363.19565	4.7
379.22836	4.0
403.26361	7.6
415.26559	7.1
431.26044	18.7
433.27344	62.0
434.27646	7.1
441.24045	10.7
459.25198	35.4
477.26343	100.0
478.26694	7.8
495.27466	18.9
512.50226	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	24.0
57.07067	12.5
62.25533	11.8
67.05500	35.8
69.07068	12.6
69.28154	80.2
71.08648	13.3
75.11132	9.3
79.05491	32.1
81.07068	27.0
81.73898	12.1
83.04967	39.0
91.05453	17.0
93.07056	37.7
95.08607	47.8
102.09163	15.9
105.07000	27.2
107.08574	27.6
107.23721	11.7
109.06491	12.4
110.46006	11.7
119.08574	21.2
121.10126	12.0
131.08571	20.4
133.10197	12.2
137.05986	12.3
143.08530	21.1
145.10139	20.6
152.76976	10.9
155.08580	15.0
157.10164	23.7
159.11720	17.5
169.10185	29.1
171.11671	15.9
173.09837	12.7
173.13419	11.4
183.11690	14.4
195.11613	15.4
197.13380	11.5
209.13263	20.5
221.13118	12.0
223.14674	12.6
225.12756	15.6
237.12744	14.0
247.14871	12.9
256.26349	26.2
265.15775	11.2
283.26254	30.2
310.99777	12.8
359.85800	11.4
403.25995	18.4
431.25699	44.4
445.01270	13.0
445.27036	31.8
449.26886	30.6
463.28363	40.5
467.28174	74.0
477.26608	27.4
481.29633	17.7
512.33661	100.0
512.50317	66.1
513.29419	52.6
513.36615	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	78.3
56.02229	2.3
57.07078	7.6
65.89112	2.4
67.05509	11.0
67.57012	2.5
69.07066	6.0
69.09068	22.8
70.06589	3.5
71.08637	3.5
76.69254	2.2
79.05500	9.5
79.13389	2.1
81.07078	9.6
83.04480	5.2
83.04981	100.0
83.08634	2.7
84.75629	2.3
88.07635	5.7
91.05476	12.2
92.17726	2.4
93.07064	13.7
93.07545	2.3
95.04991	4.1
95.08606	24.5
98.22639	5.3
102.09159	5.0
105.07056	16.2
107.08614	10.8
109.06534	4.9
109.10162	6.3
111.04479	3.6
115.05439	2.6
117.06966	4.2
119.08562	11.9
120.03577	2.1
121.10152	6.6
123.08061	7.5
129.07004	4.2
131.08577	9.2
133.06529	2.4
133.10138	6.4
135.08023	4.2
135.11728	3.1
139.07545	2.5
141.06992	4.4
142.07774	5.2
143.08571	11.4
145.10149	12.4
147.08047	5.8
147.11714	4.2
149.09740	2.3
155.08575	7.2
156.09367	3.4
157.10118	15.6
159.08034	3.0
159.11703	11.0
161.09647	6.0
165.07054	3.5
167.07132	3.0
167.08580	6.4
169.10136	9.9
171.11674	9.7
173.09636	4.3
175.11215	2.6
179.08580	5.9
181.10120	9.5
183.11671	7.7
185.09619	4.5
185.13295	2.9
187.11143	4.1
193.10207	4.1
194.10922	3.6
195.08107	3.5
195.11714	6.9
196.12251	2.7
197.13266	4.9
205.10236	4.3
206.10861	2.8
207.11716	5.9
209.09688	3.4
209.13274	9.1
219.11766	3.1
221.13304	5.0
222.10327	2.8
223.11169	2.9
225.05669	3.0
231.11707	4.3
235.14893	4.2
237.12790	4.0
239.06876	2.6
246.14220	2.7
247.07564	3.5
247.14886	4.1
249.12677	3.2
251.14232	3.2
253.12109	2.9
256.26453	15.4
261.09283	2.7
263.06891	4.9
269.89703	2.3
275.17966	4.7
277.08588	2.5
277.16071	4.7
279.10394	5.9
283.13525	4.1
283.26431	17.1
291.17566	4.3
293.08438	3.7
293.11499	5.3
295.09653	2.4
295.13187	3.1
305.08276	4.5
307.09653	3.2
312.09937	6.0
320.06665	2.7
320.10400	3.4
321.07742	2.7
321.11234	4.5
322.08450	2.9
322.12054	5.9
323.12698	3.0
325.10776	2.7
329.10217	4.3
330.11026	8.0
337.10794	4.2
337.17978	6.5
337.21872	3.0
339.08563	2.6
339.12354	5.2
343.11765	6.1
351.12155	16.5
352.13174	5.9
353.13638	4.1
354.14883	4.8
355.15222	5.1
369.13278	4.5
382.14072	17.5
383.14966	25.4
385.16498	3.9
395.14874	3.7
413.16095	22.1
415.26498	3.5
431.25674	11.1
433.27551	3.9
441.24292	7.0
449.27155	5.4
451.28308	3.7
459.25269	16.0
477.26324	41.1
478.26746	3.2
495.27463	5.7
512.23102	3.6
512.34454	3.4
512.50342	33.0
513.21149	30.7
513.35754	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88068	0.9
53.03949	1.0
55.05505	4.5
57.02539	1.0
67.05511	6.7
69.03432	1.1
69.07079	3.2
69.64567	2.3
69.64959	1.5
70.77958	1.1
79.05482	2.5
81.07062	9.6
83.04990	4.9
83.08623	1.6
85.06541	2.3
88.55461	0.9
91.05487	5.5
93.07035	7.7
95.04964	2.2
95.08601	17.9
97.84639	1.0
105.07029	7.2
107.08601	7.0
109.06525	3.1
109.10146	3.4
111.04440	2.5
111.08071	2.3
113.05996	0.9
117.07025	1.7
119.08575	9.1
121.06504	1.2
121.10162	4.3
123.08064	5.7
128.06300	1.4
129.07027	4.3
131.08557	6.3
133.10098	5.3
135.08061	2.8
135.11714	2.6
139.07535	0.9
140.90799	0.9
141.06953	2.3
141.09099	1.2
142.07782	3.5
143.08553	6.2
145.10114	7.3
147.08070	1.5
147.11725	2.4
149.09642	1.3
153.09036	1.2
154.07855	1.7
155.08548	7.4
156.09439	2.4
157.10103	10.1
159.08032	1.6
159.11691	5.5
161.09641	2.9
163.07587	1.1
165.07005	2.0
166.07832	1.3
167.08597	3.4
168.09273	1.6
169.10103	8.9
171.11723	5.3
173.09598	1.3
173.13243	1.9
175.11179	2.3
179.08574	2.9
179.10715	1.3
180.09312	2.2
181.10109	6.8
183.08080	1.3
183.11665	6.7
185.09666	2.4
185.13313	3.2
187.11140	1.6
189.12730	3.2
192.09331	2.3
193.10138	8.4
194.10896	3.2
195.11731	9.5
196.12401	1.2
197.09573	2.0
197.13228	8.1
199.11182	1.8
205.10190	2.4
206.10960	3.6
207.11705	10.7
208.12430	3.8
209.09677	1.6
209.13268	13.4
210.13953	1.5
211.14801	1.8
213.12737	1.9
217.10205	1.2
219.11693	3.4
220.12415	2.1
221.13235	15.4
222.14001	2.1
223.11319	1.2
223.14815	9.1
224.15196	1.3
225.12781	3.2
227.10760	2.0
231.11826	1.2
232.12270	1.7
233.13274	3.9
235.11127	1.4
235.14720	5.5
237.12755	1.5
237.16391	2.8
239.14162	2.2
245.13333	1.5
247.14784	3.7
248.15639	1.7
249.12793	4.1
249.16386	5.0
251.14339	3.7
251.17963	1.7
253.12245	1.5
255.13757	1.2
257.15448	1.3
259.14758	1.5
261.16479	2.7
263.14322	2.0
263.17978	10.9
264.18658	1.5
265.15775	2.2
265.19653	1.6
267.13809	3.6
269.15323	6.0
275.14313	1.5
275.17981	1.5
277.16061	1.3
277.19638	1.4
279.14151	1.3
279.21069	2.1
281.15393	2.6
283.17010	3.3
283.26355	1.2
287.18024	1.5
289.16205	1.3
289.19522	2.4
291.17267	1.1
291.21066	1.4
295.16940	3.1
303.17462	1.4
304.21796	1.2
305.19061	6.9
309.18600	1.1
321.18652	1.4
323.20044	14.5
324.20615	1.2
325.21625	1.8
331.20599	2.6
347.20325	1.6
349.21671	3.2
363.23157	4.4
371.20023	1.2
385.25186	2.4
389.21057	2.3
399.26929	2.7
403.26312	61.9
404.26569	6.1
407.22238	2.3
417.27802	6.2
419.29526	9.3
423.25491	1.2
427.26443	5.6
432.45410	1.2
445.27374	37.4
446.27847	3.1
463.28412	100.0
464.28836	10.3
481.29581	5.2
512.33728	3.4
512.50153	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74996	1.2
55.05508	3.6
55.88396	1.3
57.07079	1.6
67.05501	6.3
69.07058	2.0
69.63445	4.4
70.06583	2.0
79.05488	2.9
79.62466	1.2
81.07056	5.8
83.04979	4.5
85.06515	1.7
87.04916	1.3
88.07631	1.3
91.05476	5.2
93.07053	8.0
94.21664	1.3
95.04974	1.8
95.08610	15.5
98.23086	3.0
105.07040	7.2
107.08572	6.4
109.06534	2.5
109.10175	3.2
111.04436	1.7
111.08070	2.9
117.07050	2.2
119.08589	10.1
121.06545	2.1
121.10144	5.4
123.08056	3.8
128.06230	1.8
129.06996	2.9
130.89622	1.1
131.08568	5.9
133.10121	5.3
135.08066	4.3
135.11639	1.7
139.07524	2.1
139.45558	1.2
141.06987	1.3
142.07773	2.7
143.08589	7.4
144.09093	1.3
145.10110	6.6
147.11676	1.7
155.08626	7.1
156.09346	1.7
157.10124	13.1
159.08231	1.3
159.11697	7.0
161.09581	3.7
165.06833	1.3
166.07838	1.6
167.08496	3.8
168.09377	1.7
169.10138	6.2
171.11673	6.1
173.13264	2.0
175.11234	1.9
179.08569	3.1
179.10641	2.1
179.54727	1.3
180.09396	1.7
181.10109	5.6
182.10844	2.2
183.11708	7.3
185.09508	2.1
185.13280	3.2
187.11275	2.7
192.09360	1.8
193.10074	7.7
194.10933	2.3
195.11652	7.3
197.13258	5.4
199.11206	1.4
199.14949	1.8
205.10210	2.0
206.10812	1.6
207.11694	17.3
208.12419	1.8
209.09572	1.2
209.13264	10.1
210.13902	2.5
211.14848	3.0
217.12195	1.4
219.11751	1.8
220.12415	2.4
221.13240	8.1
223.11212	1.3
223.14824	7.2
225.12692	2.4
227.10675	1.3
229.12181	1.3
233.13255	4.0
235.14838	5.2
237.12590	1.5
237.16313	2.4
239.14175	1.3
241.12251	2.0
243.13811	2.5
247.14813	2.6
249.12711	3.3
249.16447	3.0
251.14238	2.7
253.12283	2.2
256.26385	4.4
257.15512	1.4
259.11145	1.2
261.16418	1.7
263.14352	2.0
263.17911	4.0
265.16049	2.0
267.13770	8.1
269.15402	5.9
273.16360	1.8
275.14227	1.8
277.15735	1.5
277.19354	1.2
279.13980	1.4
279.20853	1.7
283.16837	1.7
283.26349	3.8
287.17996	1.3
293.15442	1.4
295.16751	2.2
297.18576	3.5
305.18991	5.5
309.18494	1.5
321.18381	1.6
323.20044	10.7
324.20627	2.2
325.21567	4.6
349.21552	1.9
363.22946	1.4
389.21039	2.9
399.26801	1.7
403.26376	17.9
404.26624	2.0
407.21967	2.2
417.27911	5.0
419.29367	3.9
423.65771	1.2
427.26309	4.4
445.27420	21.6
463.28442	100.0
464.28827	8.1
481.29239	5.5
512.50397	7.9
513.35260	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	14.6
57.07080	5.4
67.05502	11.2
69.03458	2.3
69.07066	6.1
70.06593	5.3
71.04993	2.7
71.32557	2.3
73.98107	2.4
79.05498	5.6
81.07055	11.7
83.04993	21.7
85.06528	2.7
88.07615	4.4
91.05474	11.6
93.07050	12.6
95.08627	23.9
102.09174	4.7
105.07035	17.1
106.81614	2.4
107.08605	12.4
109.06548	4.2
109.10154	6.5
111.04476	2.7
111.08044	5.9
117.07038	5.7
119.08580	15.7
121.06471	2.4
121.10143	5.7
123.08064	7.3
128.06276	3.1
129.06964	3.9
131.08562	8.3
133.10136	10.7
135.08041	16.7
139.07576	3.7
140.82381	2.7
141.07014	2.9
143.08607	12.3
143.09578	2.4
145.10127	11.3
147.08055	3.1
147.11716	4.5
149.09598	3.6
154.07820	3.2
155.08638	14.2
157.10118	20.3
159.08026	4.9
159.11726	11.1
161.09607	6.8
165.07008	4.3
167.08530	3.7
168.09274	3.8
169.10130	10.8
171.11703	12.0
173.09654	3.4
173.13306	5.3
175.11258	2.9
180.75732	2.6
181.10109	10.0
183.11693	9.5
185.13284	6.0
192.09349	3.1
193.10170	12.2
194.10863	5.9
195.11761	12.1
196.12379	3.8
197.13255	9.8
199.11266	7.0
205.10251	4.1
206.10971	6.0
207.08060	3.2
207.11707	15.2
208.12471	4.2
209.13264	14.6
210.10194	2.8
210.13835	4.1
211.14786	3.5
220.12592	2.3
221.13263	12.1
222.13689	3.5
223.11259	3.1
223.14830	10.6
224.15334	3.2
225.12701	3.4
225.16380	4.4
229.12180	2.9
233.13222	5.6
234.13976	3.3
235.14836	7.2
237.12761	2.7
237.16287	4.5
239.07014	2.6
239.14299	6.2
243.13835	3.6
244.12488	3.2
247.14880	6.2
249.12657	5.2
249.16399	8.1
251.14244	8.4
256.26334	12.7
261.12683	2.5
261.16458	3.2
263.14426	5.8
263.17902	6.1
267.13861	5.9
269.15402	4.7
277.19708	3.5
283.26276	14.4
285.18546	3.4
289.19434	2.9
295.17001	2.5
305.19138	12.6
307.16830	4.1
323.20102	12.9
324.20450	2.6
331.20334	3.7
403.26453	28.4
417.27756	11.0
419.29486	4.3
427.26108	6.2
445.27460	40.6
445.33450	4.9
463.28433	100.0
464.28638	9.4
481.29144	15.4
512.33856	18.9
512.50409	32.2
513.29401	16.5
513.37054	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.8
56.05862	1.4
57.03436	1.5
63.89832	1.3
65.36531	1.5
67.05504	6.9
69.03435	2.4
69.07055	1.6
69.31290	11.2
71.05009	1.9
72.21358	1.4
79.05515	3.0
81.07059	8.5
83.05016	2.6
85.02901	3.5
85.06532	1.7
91.05476	4.5
93.07066	5.4
95.04987	2.2
95.08598	14.0
98.22578	2.7
101.06056	1.9
101.97384	1.2
102.08739	1.3
105.07024	2.7
107.08607	4.4
109.06508	2.8
109.10171	6.9
119.08591	4.5
121.10188	2.7
123.08063	9.4
123.11714	3.2
133.10149	3.1
135.08058	3.0
151.07545	100.0
152.07886	3.0
155.83031	1.3
159.11719	2.2
160.32237	1.4
161.09634	1.8
161.13292	1.7
173.09538	1.5
175.11180	3.0
177.09155	4.7
177.22205	1.6
178.58641	1.3
187.11172	1.6
189.12831	1.9
191.10661	19.8
205.12253	7.4
236.66335	1.4
250.11298	1.4
260.79550	1.4
272.11053	1.4
287.20053	3.7
323.12494	2.8
347.20877	1.6
395.29489	2.7
407.07095	1.6
413.30542	5.1
431.31540	1.9
441.29788	2.5
459.31088	5.3
532.92804	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	9.6
57.07076	17.9
67.05493	11.3
69.07046	6.3
69.14941	5.6
69.15344	14.8
70.06593	15.4
71.08626	13.3
79.05480	3.6
81.07065	9.3
83.04983	11.2
83.08604	4.0
84.96129	3.1
85.10170	4.3
88.07633	22.5
89.06030	13.8
91.05489	6.9
92.62470	2.7
93.07030	18.0
95.04919	3.4
95.08612	22.2
97.06432	2.3
97.10175	2.9
102.09193	15.8
105.07008	12.7
107.08581	10.7
109.10162	7.9
111.04467	6.8
111.08112	4.2
117.07032	3.3
119.08574	17.1
121.06510	3.4
121.10159	6.5
123.08075	3.4
123.11674	3.6
131.08559	7.3
133.08595	7.5
133.10129	10.5
135.11678	6.5
139.07503	4.1
141.07030	3.8
143.08583	7.1
145.10085	13.0
147.08078	3.0
147.11729	7.8
155.08553	4.8
157.10097	13.1
159.11670	10.9
161.09610	3.3
161.13284	5.8
169.10118	8.4
171.11707	12.6
173.13184	6.2
175.14835	3.9
177.11293	3.1
181.10120	3.8
183.11720	10.1
185.13211	7.4
187.14841	4.5
189.12814	5.5
195.11685	7.8
197.13258	12.3
199.14876	6.1
201.12779	4.2
207.11803	4.4
207.13799	3.2
209.13287	6.9
211.14795	9.2
213.12769	6.0
213.16412	3.1
215.14368	4.1
221.13503	4.6
223.11221	2.8
223.14885	3.9
225.16385	5.6
228.23320	2.9
233.13228	4.6
233.15442	3.1
235.14868	4.6
237.16403	7.4
243.17310	4.1
249.16339	3.7
251.18179	3.1
253.19676	3.4
255.17447	4.2
256.26328	56.1
256.28903	4.2
257.19070	3.2
274.27533	6.8
283.26312	54.8
291.21323	2.8
293.22607	4.5
311.20279	2.9
311.29437	3.6
327.20065	4.7
335.23795	7.3
351.23355	5.6
368.27045	3.8
407.29474	22.1
413.28519	6.5
421.30942	9.2
431.29413	61.8
432.29846	6.8
449.30466	76.6
450.30954	8.0
467.31577	52.3
468.31989	4.5
495.39444	2.6
512.37183	9.2
512.50348	100.0
513.36249	2.8
513.50446	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.8
57.06823	2.0
57.07079	20.2
57.11647	1.4
58.06595	2.4
67.05508	9.3
67.91626	1.4
69.07059	8.5
69.17230	12.2
70.06587	15.1
71.08344	1.2
71.08636	12.7
79.05479	3.0
81.07050	10.7
83.04982	4.2
83.08621	4.6
85.10187	6.7
88.07617	18.3
89.06039	9.9
91.05492	7.3
93.07038	9.9
95.08608	20.7
97.10172	2.1
102.09175	15.9
105.07034	11.2
107.08602	13.5
109.06520	2.5
109.10154	6.2
111.08080	2.8
117.07026	4.5
119.08595	11.3
121.10146	8.0
123.08078	3.6
123.11740	1.8
131.08569	6.2
133.06529	1.5
133.08617	4.3
133.10117	7.1
135.11674	3.8
141.07001	1.9
141.09050	1.5
142.07755	1.7
143.08600	9.1
145.10104	11.4
147.08073	1.5
147.11731	4.1
149.13242	2.5
151.11208	1.9
152.61938	1.4
155.08571	2.3
157.10117	11.9
159.08060	1.4
159.11650	12.0
161.09660	3.2
161.13216	2.0
163.07535	1.5
163.11264	1.8
167.08569	1.5
169.10129	4.4
171.11678	9.8
171.78378	1.6
173.09622	1.5
173.13271	5.6
175.14851	1.7
177.09079	1.6
181.10136	1.5
183.11691	5.2
185.13269	4.0
187.11127	2.9
187.14854	2.4
189.12756	1.8
195.11719	1.6
197.13257	6.2
199.11241	2.9
199.14833	3.7
205.12241	2.9
207.11775	2.6
209.13358	3.7
211.11249	1.5
211.14861	4.8
213.12779	2.0
213.16313	2.9
215.14325	1.9
221.13309	4.6
223.14848	1.9
225.12823	2.6
225.16440	2.2
227.17810	1.6
228.23297	4.4
229.12500	1.3
235.14850	1.9
237.16484	3.3
239.14415	2.4
239.17960	2.4
241.15727	1.8
243.13861	1.5
243.17303	2.2
247.17015	2.8
251.14360	1.6
251.18008	1.8
253.15862	2.3
253.19542	1.8
255.17467	2.1
256.23645	2.4
256.26349	47.7
256.28909	2.9
257.26700	2.0
261.18628	1.3
265.19565	1.5
267.17685	1.7
269.18951	1.7
271.17102	2.8
273.18726	2.5
274.27463	4.4
281.19208	1.9
283.26303	52.3
287.20172	3.4
291.21085	2.1
299.20053	2.8
307.20547	1.6
309.22162	5.9
311.29465	4.2
325.21463	1.5
327.23471	7.0
335.23901	1.7
375.22995	1.5
393.23962	1.9
403.29959	2.9
407.29532	1.9
411.25385	1.9
413.28238	4.0
421.30869	2.5
431.29507	12.8
449.30502	19.6
450.30710	2.2
467.31567	47.8
468.31711	4.3
512.37402	5.3
512.50342	100.0
513.35632	2.8
513.50763	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.3
57.07076	17.0
58.06599	2.4
67.05506	5.1
69.07065	4.8
70.06590	15.5
71.08623	9.6
71.32083	1.0
73.02920	1.9
79.05482	1.9
81.07067	4.4
83.04979	3.6
83.08578	2.0
85.10201	4.8
87.04482	1.6
87.66907	0.8
88.07636	16.9
89.06034	57.4
91.05485	3.6
92.76716	0.8
93.07052	3.4
95.08601	8.4
97.10185	2.2
99.70206	0.9
102.09184	14.8
105.07047	4.3
107.07133	1.0
107.08598	4.1
109.10158	3.2
111.04470	2.0
111.08093	1.2
117.06993	1.1
119.08569	5.4
121.10146	2.7
131.08594	2.4
133.08603	31.7
133.10179	4.2
135.11697	1.3
137.05965	1.0
139.14211	0.9
143.08582	2.4
145.10158	3.9
147.11731	4.4
149.13290	0.9
155.08513	1.0
157.10165	5.0
159.11714	2.6
161.13297	1.3
167.07024	1.8
171.11723	3.5
173.09683	1.0
173.13269	2.5
175.11221	1.9
177.11240	9.9
183.11713	3.0
185.13313	2.3
187.11273	1.6
187.14793	1.1
189.12747	1.2
197.13269	1.5
199.14792	1.3
205.12177	1.2
207.13809	1.5
211.14882	1.3
212.23907	1.5
213.12735	1.6
221.13625	1.6
225.16113	1.0
228.23213	5.1
239.14740	2.6
239.17882	1.5
245.15396	1.4
247.14673	1.0
247.17143	1.1
255.32414	1.1
256.26340	47.0
257.26935	1.5
259.16943	1.6
271.17099	1.0
271.90094	1.0
273.18314	1.2
274.27408	4.1
283.17645	1.5
283.26321	51.3
284.26526	1.3
299.20184	1.2
309.22141	1.4
311.29587	3.4
327.20081	16.8
327.23288	2.0
328.20251	1.7
368.27200	1.4
421.30984	1.8
431.29443	3.7
449.30377	7.5
467.31601	4.5
507.82272	1.0
512.34735	4.4
512.50372	100.0
513.34961	2.8
513.50580	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	10.0
57.07080	6.4
65.03924	3.7
67.05508	20.3
69.03416	3.4
69.07069	12.9
69.13448	14.2
69.13876	13.8
70.06593	5.1
71.32166	3.2
79.05489	14.7
81.07057	37.0
81.07536	4.6
83.04996	8.7
83.08628	3.5
88.07638	6.0
91.05491	23.3
93.07035	38.4
95.04985	5.7
95.08606	69.8
97.06563	6.0
102.09162	7.7
105.07035	36.5
107.05014	4.4
107.08598	39.9
109.06540	7.9
109.10167	24.6
111.04434	5.2
111.08085	9.9
117.07027	11.9
119.08576	42.6
119.32539	3.1
121.06477	8.3
121.10150	30.4
123.08073	7.3
123.11716	8.0
123.73858	3.9
128.06209	4.1
129.07014	8.1
131.08556	30.0
133.06512	4.4
133.10130	37.1
135.08047	16.5
135.11684	14.4
139.07507	4.0
141.06973	7.1
142.07805	7.3
142.59476	4.3
143.08575	25.2
145.06451	6.0
145.10115	40.2
147.08061	13.3
147.11659	20.6
149.09579	6.1
149.13257	10.7
155.08585	11.4
156.09381	7.9
157.10139	27.7
158.10901	3.3
159.08054	17.1
159.11681	39.1
161.09613	23.9
161.13235	14.5
167.08549	3.8
169.10114	14.8
171.08070	5.6
171.11687	20.0
173.09656	19.5
173.13263	27.9
175.11194	14.4
175.14862	8.7
181.10156	5.7
183.11682	8.2
185.09547	6.6
185.13306	17.2
187.11197	16.0
187.14856	26.0
189.12764	12.5
195.11778	5.0
197.13286	10.5
199.11226	8.9
199.14851	12.2
201.12816	18.5
201.16446	12.6
203.14386	11.0
209.13300	5.8
211.14813	8.6
213.12656	16.3
213.16371	10.9
215.14267	26.2
217.16028	7.6
219.11812	4.1
219.13837	4.9
221.13333	5.0
221.15408	4.2
223.14821	4.7
225.16301	5.3
227.14330	13.3
229.15897	27.9
231.13835	5.1
231.17523	6.1
233.13246	4.4
233.15347	17.1
235.14767	5.5
235.16846	4.1
239.18016	4.7
243.17340	5.2
245.15352	7.5
247.16911	8.5
248.97023	3.8
253.15987	3.5
254.19716	3.3
256.26358	12.7
259.17050	6.3
281.22574	6.3
283.26355	15.3
291.21051	6.8
309.22003	9.9
313.21722	3.7
335.23251	4.3
375.26889	5.1
383.29620	5.6
403.30264	4.4
413.28354	10.0
421.31253	16.4
422.86414	3.5
431.29501	66.4
432.29739	6.1
449.30484	100.0
450.30667	11.2
467.31552	14.7
511.91864	3.4
512.50244	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.8
65.03953	2.4
67.05473	1.9
68.71194	1.4
69.03423	3.6
69.35536	4.7
69.35940	2.9
83.04984	4.0
85.02888	1.9
91.05491	13.6
93.03419	2.3
95.04977	7.2
97.02876	4.1
97.57484	1.6
103.05442	1.3
105.07027	2.3
107.04304	1.4
107.04935	9.7
109.16104	1.5
111.04470	7.4
119.01936	1.5
119.04945	33.2
121.02850	5.9
121.06468	7.5
123.04424	2.0
123.52848	1.5
124.72453	1.4
129.05511	2.1
131.04970	4.8
133.06505	12.6
135.04414	3.5
138.09145	1.8
139.03923	5.5
141.06956	2.0
145.06470	4.2
147.04410	100.0
148.04727	3.8
149.05905	1.9
150.52492	1.9
155.01901	2.0
157.04948	2.7
157.06546	2.6
159.04414	12.9
160.07611	5.5
161.06006	2.9
163.03896	11.2
165.05493	7.9
165.07030	5.2
167.08627	1.7
173.02895	2.1
173.06094	1.6
177.05469	4.3
177.06914	2.1
183.08023	3.5
189.05569	5.5
189.13889	1.5
195.08058	1.9
197.05930	2.8
201.05537	3.4
211.07547	4.1
213.02548	2.7
219.01910	1.9
223.07463	2.3
229.08327	1.5
239.07042	5.9
241.08690	1.8
249.05573	3.7
257.08081	4.1
267.06531	5.6
273.02859	1.5
276.06451	1.7
285.07632	8.7
303.08640	21.3
321.09760	8.3
339.05615	8.0
359.08228	2.6
382.29358	1.4
406.59949	1.7
450.39154	1.8
513.15430	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.05513	79.3
56.05848	1.1
69.13247	0.3
69.48814	1.1
69.49226	0.5
69.89130	0.4
71.64064	0.3
75.04493	0.8
83.04982	100.0
84.05324	1.5
88.95654	0.3
99.04459	1.0
101.05994	0.6
111.04417	0.4
113.94118	0.3
125.68674	0.3
165.06992	0.5
167.06952	0.4
169.04948	0.7
173.05969	0.4
175.03868	0.4
175.56520	0.3
178.07733	0.7
179.08597	0.4
181.06479	0.6
185.05966	0.7
189.06990	0.6
190.07759	0.4
191.08562	0.4
195.06491	1.4
195.08064	0.5
199.03917	0.6
203.06987	1.2
206.07193	0.5
207.08099	0.6
207.10449	0.4
208.08620	0.4
211.03990	0.4
213.05484	1.4
215.07016	2.4
221.05937	0.4
223.07553	0.7
225.05443	0.8
227.03360	1.1
227.06999	1.2
229.04846	0.5
234.06769	0.6
235.07552	0.7
239.06978	0.7
240.04059	0.9
241.04892	1.0
243.02783	0.6
243.06540	1.1
244.03717	0.5
247.07295	0.4
249.09087	1.2
251.06931	1.1
252.07771	0.5
253.04892	0.5
254.05685	0.5
255.06398	1.0
256.03418	0.5
262.06198	0.5
263.07034	1.9
264.07739	0.7
265.04883	0.8
265.08524	1.3
266.05789	0.5
267.06375	0.7
268.03503	0.5
269.04388	1.5
269.07968	0.6
270.05090	0.8
271.05927	0.7
273.07709	0.6
275.06857	0.7
276.07755	0.8
277.08713	1.7
278.09064	0.7
279.06375	1.3
279.09998	0.6
280.07205	0.5
281.07889	0.5
282.05103	0.4
282.08820	0.4
283.05951	0.5
283.26550	0.4
283.97757	0.4
285.07544	0.6
286.04739	0.7
291.06415	1.1
292.07150	1.6
293.08014	2.5
294.05194	0.4
294.08624	0.4
295.05908	0.8
295.09406	0.9
297.03827	1.2
297.11127	0.7
301.06912	1.3
303.06500	0.9
305.04529	0.5
305.07913	1.6
306.08713	0.6
307.06097	0.7
307.09573	2.1
308.10229	0.8
309.07474	0.7
309.10959	0.9
310.08191	0.6
311.05264	0.9
311.08783	0.4
312.06271	2.6
313.06912	1.1
313.10385	0.5
317.07806	0.4
319.09415	0.5
320.06699	0.7
321.07483	1.2
322.08267	0.8
323.08887	1.1
324.09906	0.6
325.07111	0.6
325.10626	1.5
333.07483	0.9
334.08304	0.8
335.09094	3.1
336.09793	0.7
337.07028	0.4
337.10733	1.9
339.08453	0.9
339.12143	1.9
340.09277	0.5
341.10037	0.7
348.06110	0.6
349.10678	0.4
352.09235	0.6
353.10086	1.9
355.11606	0.6
363.08688	1.9
364.09213	0.6
365.10144	1.1
367.11777	6.0
368.12204	0.6
377.09967	1.5
380.08804	0.5
383.11014	1.0
385.12701	1.4
395.06253	0.5
395.11279	7.3
413.12210	3.0
431.13251	1.0
467.17059	1.5
513.17572	5.7
514.17908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.3
53.06815	1.3
55.05514	51.1
68.71849	1.2
69.08600	9.2
69.09005	1.7
78.73618	1.2
83.04982	59.0
98.22584	2.4
99.45979	1.2
129.21135	1.1
163.03932	1.7
165.07042	1.9
177.05510	1.1
177.30283	1.2
181.06502	1.9
193.04974	2.4
197.05962	1.9
205.05013	1.3
209.06035	1.9
211.07489	1.7
212.04640	2.4
213.05318	1.4
221.05844	2.1
223.07475	2.5
224.04715	4.3
225.05461	2.6
225.09041	1.9
226.06296	2.0
227.03352	1.8
227.07033	1.9
235.07420	1.6
237.05466	3.7
238.06253	2.0
239.07027	4.1
240.04140	9.2
241.05083	2.0
243.02631	1.3
249.05580	1.7
251.06998	3.5
252.04163	6.6
253.04968	4.8
253.08662	4.3
254.05867	3.9
255.02818	1.6
255.06505	3.1
263.06992	2.0
264.04214	2.2
265.04926	2.3
266.05807	5.5
267.06570	6.4
268.03729	1.7
268.07333	3.3
269.04483	12.1
269.08005	4.0
270.05243	3.1
271.05957	1.6
279.03912	1.8
279.06491	9.7
280.03824	2.6
280.07132	3.5
281.04486	4.8
281.08060	3.8
282.05075	1.8
282.08667	1.6
283.06094	4.6
283.09314	1.5
284.03476	1.5
284.06720	2.0
285.04227	1.4
286.04822	3.7
291.06555	2.9
293.08093	3.3
294.05243	3.3
294.08926	4.1
295.06064	11.9
295.09265	2.3
296.06821	9.5
297.04025	4.0
297.07568	7.7
298.04688	17.1
299.05347	3.7
299.08707	3.0
300.06192	1.3
301.07095	10.8
307.06104	3.4
308.06696	2.3
309.07587	11.3
310.08490	6.2
311.05652	2.9
311.09122	10.8
312.06342	4.2
312.09732	1.6
313.07071	100.0
313.10132	3.9
314.07581	7.1
321.07581	6.4
322.08344	3.5
323.05490	3.4
323.08984	1.7
325.07111	26.7
325.10794	4.4
326.07767	3.2
327.08621	5.0
335.09024	1.7
336.09839	4.6
339.08636	12.2
340.09390	32.0
341.06479	1.6
341.10193	24.7
343.08011	1.4
344.09021	2.6
352.09283	2.9
353.10141	13.8
355.08038	3.7
356.08899	50.0
357.09143	1.9
364.09366	2.5
367.11697	11.9
369.09402	2.2
370.10956	1.7
371.11066	2.1
380.08694	1.8
381.09491	5.1
383.11368	14.2
384.11929	3.7
385.12836	1.5
395.11215	4.2
413.12302	11.4
426.13156	7.2
451.65598	1.3
512.50006	1.4
513.35162	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84324	2.1
53.03942	4.8
55.01883	7.0
55.05511	10.1
59.05004	2.3
67.05510	11.8
68.99792	2.5
69.03440	12.8
69.07069	4.1
69.11321	16.4
69.11726	5.4
71.04995	42.3
75.04481	3.7
79.05489	23.0
81.03423	3.9
81.07059	58.4
83.04988	11.3
87.04456	5.3
91.05486	36.7
93.07041	22.5
95.04962	12.5
95.08610	26.1
97.02903	9.9
97.06552	5.5
98.22598	5.3
99.04454	51.6
103.05482	5.7
104.06251	5.7
105.07030	29.0
107.04971	6.9
107.08609	12.1
109.06535	28.5
109.10153	3.7
111.04449	14.0
111.08088	6.8
115.03994	3.2
115.05485	9.7
116.06255	3.2
117.07033	13.5
117.71867	2.4
119.04951	24.5
119.08575	26.9
121.06504	20.7
121.10152	4.2
123.08093	15.3
125.05982	4.1
127.03938	9.7
128.06212	9.8
129.07013	13.5
130.87915	2.0
131.04930	5.6
131.08585	12.7
132.05710	45.8
133.06497	13.8
133.10135	7.4
134.07306	3.0
135.08055	9.6
137.05991	60.1
139.07574	5.6
141.06985	7.6
142.07797	7.2
143.04907	5.1
143.08562	17.7
144.05824	3.5
145.06508	17.5
145.10107	11.8
147.08055	30.6
147.11670	4.2
149.05968	11.9
149.09647	5.5
151.07529	4.3
152.06161	3.2
153.05440	4.9
153.07010	6.8
154.07767	3.8
154.15479	2.8
155.07289	2.8
155.08510	12.0
157.06512	7.2
157.10115	16.0
158.07281	3.2
159.04491	4.0
159.08046	15.6
159.11732	8.4
160.05156	3.7
161.06003	9.0
161.09665	8.9
163.07556	7.6
165.06966	12.0
165.09137	3.5
166.07715	5.5
167.07135	4.6
167.08566	7.7
168.09224	2.6
169.06491	6.8
169.10132	10.9
171.08044	17.1
171.11676	7.4
173.05989	3.3
173.09615	10.4
173.13293	5.2
175.07602	10.4
175.11235	3.0
177.05428	4.5
177.09055	4.5
178.06255	3.1
178.07805	6.1
179.07127	4.2
179.08511	14.0
179.10640	15.5
180.07838	2.6
180.09325	5.3
181.06464	5.1
181.08746	2.9
181.10107	13.2
183.08037	11.8
183.11691	9.8
184.08795	3.9
185.09627	10.1
187.07672	3.8
187.11215	3.9
189.09103	5.7
191.06969	4.7
191.08611	6.2
191.10710	2.8
192.07771	4.1
192.09338	6.9
193.06606	3.6
193.10139	13.6
194.10802	4.3
195.06520	4.9
195.08099	11.3
195.11754	10.0
196.08780	3.7
197.06038	2.7
197.09586	12.7
197.13249	4.5
198.10321	2.8
199.07542	6.0
199.11128	5.0
201.09120	10.0
201.12843	3.1
202.07748	5.2
203.08566	7.9
203.10532	3.4
204.09377	5.2
205.06459	4.5
205.10155	9.8
206.10893	4.3
207.08163	5.7
207.10115	100.0
207.11667	10.1
208.08812	7.7
208.12506	3.6
209.09627	17.0
209.13252	5.7
210.10341	2.7
211.07599	8.4
211.11194	7.6
213.05655	2.5
213.09134	6.9
213.12752	3.6
215.07008	4.0
216.09360	4.7
217.10481	4.7
218.07381	3.1
218.10765	5.2
219.08086	8.0
219.11681	12.1
220.08856	5.5
220.12395	3.3
221.06094	3.4
221.09650	14.2
221.13303	8.1
222.10362	3.1
223.03760	3.3
223.07552	6.3
223.11186	13.6
223.14931	6.4
224.12073	3.3
225.09114	6.0
225.12779	8.8
227.06998	3.1
227.10777	4.7
229.10254	5.2
230.10857	2.4
231.11749	7.3
232.08911	4.4
233.06013	3.6
233.09702	13.8
234.10402	3.5
235.07574	5.0
235.11263	17.6
235.14864	4.4
236.04756	3.2
236.08224	3.1
236.12003	3.5
237.05368	4.3
237.09055	7.7
237.12741	12.6
238.13597	3.7
239.03456	5.7
239.07137	3.7
239.10736	5.2
239.14339	6.6
241.12196	5.2
244.12302	3.0
245.09647	8.8
245.13330	5.7
246.10378	5.5
247.11317	13.5
247.14944	6.4
248.08310	4.9
248.11896	5.1
249.05553	3.1
249.09138	9.2
249.12816	10.7
249.16553	5.5
250.06288	5.4
250.09798	4.6
250.13414	3.7
251.03471	10.8
251.07042	4.0
251.10815	8.3
251.14363	6.1
252.04166	6.2
253.04843	6.0
253.08603	3.6
253.12195	9.7
254.05603	2.5
255.06544	4.6
255.13840	5.5
257.04575	3.2
257.09607	3.5
259.11240	4.8
260.11990	4.3
261.09106	4.4
261.12741	7.2
262.06445	3.5
262.09811	3.4
263.06946	4.9
263.10703	12.5
263.14322	9.0
263.32230	2.9
264.07938	4.5
264.15082	3.3
265.05035	6.0
265.08630	13.3
265.12259	10.2
265.15887	4.1
266.05832	9.0
267.03058	3.6
267.06610	4.7
267.10120	5.0
267.13821	6.0
267.17099	2.9
269.04462	6.8
272.06909	3.2
273.12817	4.2
275.10742	5.8
275.14236	11.6
276.15219	4.1
277.08594	6.3
277.12244	7.4
277.15875	5.0
278.05789	5.6
279.06534	8.7
279.10284	6.1
279.13672	6.0
279.17413	2.5
280.07361	3.2
281.04611	3.3
281.08328	4.8
281.11795	9.0
281.15369	4.1
282.05249	5.5
283.05972	7.0
283.10403	2.8
283.13428	6.1
285.12909	4.3
287.09250	4.0
287.14282	6.1
291.06546	6.7
291.10178	2.6
291.13782	5.8
292.07346	4.5
293.04514	4.2
293.07947	8.4
293.11478	2.9
293.15457	5.1
293.18796	2.8
294.05292	3.9
294.08902	5.4
295.06195	5.7
295.09799	6.5
295.13080	6.0
295.16919	6.3
297.04254	3.5
297.07602	36.0
297.10959	3.4
298.07855	3.6
299.05539	4.0
299.12610	11.5
303.10254	3.8
303.13794	7.1
305.08099	7.5
305.15396	5.3
306.08817	3.8
307.06091	4.8
307.09744	4.3
307.13123	4.4
307.16733	3.5
308.06802	6.1
309.07520	8.2
309.11215	7.4
309.14838	4.0
311.05536	13.8
311.08942	4.5
311.12851	2.7
313.07117	15.8
313.10388	3.0
314.07596	2.8
315.08832	5.2
315.12561	3.2
317.15363	3.1
321.07483	4.4
322.08514	4.5
323.09067	29.3
323.16501	3.1
324.06378	3.4
324.09830	3.7
325.07111	7.3
326.07800	21.5
327.08548	3.3
331.11859	3.6
333.07568	6.1
334.08408	2.9
335.09177	4.2
335.16461	4.2
337.07117	3.9
337.10690	14.0
339.08649	4.2
339.12347	4.5
340.09506	9.6
341.10190	3.1
343.08017	3.9
347.09100	3.5
348.09927	10.0
349.06851	4.4
349.10568	6.1
352.09457	3.0
353.10361	6.0
355.11948	13.1
364.09152	3.3
365.10132	8.6
366.11011	5.8
367.11795	11.2
369.13367	16.0
373.17947	3.5
379.11664	18.0
382.10641	6.0
385.12640	8.0
385.17349	2.9
391.19128	7.0
397.12665	38.0
398.13019	2.8
401.17490	28.1
403.19122	5.0
407.25626	2.9
409.20126	5.5
415.18307	4.7
417.24249	3.0
419.18393	29.1
420.19254	6.4
421.20181	4.6
431.18735	5.2
431.25833	3.7
433.19852	3.7
435.25098	3.4
437.19577	77.4
438.20331	21.4
441.23907	3.7
449.19543	11.9
449.26398	4.4
451.21249	5.0
459.17584	2.7
459.25238	6.2
467.20566	23.1
477.19150	8.3
477.26291	14.4
478.69794	2.8
495.20050	19.2
495.27344	11.4
496.20639	2.8
513.21246	55.4
513.28223	3.8
514.21210	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2117
Annotation	alpha-Alectoronic acid
Peak:m/z	Relative Intensity
53.03946	1.8
55.05512	4.7
57.03430	2.3
57.55490	0.8
59.55812	0.9
67.05502	5.5
69.03429	12.5
69.07072	1.6
69.11137	8.2
71.04969	1.0
73.09925	0.9
77.03900	1.2
79.05487	7.1
81.07058	18.6
83.04987	3.8
85.02892	1.3
91.05470	9.6
91.05920	0.9
93.07043	8.4
95.04948	4.5
95.08589	8.6
97.02884	1.1
97.06528	3.0
98.23403	2.0
99.04458	1.8
103.05460	2.0
105.07028	12.1
107.04956	4.0
107.08628	6.6
109.02835	1.0
109.05799	1.2
109.06519	18.0
109.10136	1.3
111.04485	1.4
111.08079	4.8
115.05461	2.2
117.07008	6.3
119.04946	1.7
119.08572	9.3
120.08842	0.9
120.61130	0.9
121.06523	13.6
121.10136	3.8
123.08066	11.6
125.06004	2.0
128.06230	4.0
129.07014	8.0
130.07817	1.3
131.04933	9.3
131.08565	8.6
133.06500	5.1
133.10083	4.9
135.04422	1.4
135.08069	8.5
137.05972	19.5
137.09669	1.4
139.07587	8.0
141.07013	3.2
142.07800	2.1
143.08575	9.3
145.06480	8.9
145.10117	8.2
146.07248	1.9
147.08040	14.0
147.11693	3.0
149.05975	6.0
149.09622	6.2
151.07539	1.9
153.05453	5.9
153.06856	1.5
154.07771	1.4
155.07332	1.0
155.08565	4.2
157.06529	1.9
157.10138	7.0
158.07256	1.7
159.04401	1.0
159.08047	12.5
159.11714	3.9
160.08829	1.3
161.05995	2.8
161.09605	9.4
163.07556	3.7
163.11174	2.0
165.06995	1.6
165.09125	1.9
167.07057	25.6
167.08507	2.8
168.09334	1.3
169.06476	1.4
169.10159	4.2
171.08028	9.2
171.11703	3.9
172.08807	2.0
173.05975	2.7
173.09613	11.5
173.13255	2.6
175.07542	9.0
175.11211	4.9
176.07895	1.1
177.09062	5.0
179.07083	1.4
179.08557	3.2
179.10753	1.8
180.09412	1.0
181.06528	1.7
181.10126	3.8
183.08078	2.5
183.11700	2.9
185.06041	1.3
185.09618	11.9
185.13184	1.6
186.10249	1.3
187.07553	3.8
187.11189	12.1
189.09068	7.0
189.12761	1.5
191.07034	2.9
191.10771	3.2
193.08603	3.0
193.10188	3.3
195.08044	3.0
195.11734	3.9
197.09677	4.9
197.13266	1.9
198.10423	1.9
199.07590	3.4
199.11176	3.7
201.09074	4.6
201.12744	1.9
203.06993	1.3
203.10661	4.9
205.08627	2.8
205.10298	1.6
205.12250	1.2
207.08128	1.3
207.10094	2.2
207.11852	2.0
209.09644	3.5
209.13292	2.4
210.10385	1.8
210.13876	1.3
211.07716	1.3
211.11217	4.7
213.09012	4.7
213.12755	3.6
215.10645	4.7
217.08598	3.4
217.12288	1.5
219.06523	20.8
219.09860	7.4
219.12012	1.8
220.12471	1.1
221.09720	2.1
221.13329	2.4
223.11201	4.8
225.09099	2.7
225.12752	4.5
227.10677	3.4
227.14284	1.1
229.10251	1.2
229.12297	3.5
231.10152	4.4
233.09804	1.7
233.13412	1.7
234.10416	1.6
235.11339	1.6
235.14864	2.6
237.12814	2.8
239.10741	2.8
239.14302	2.7
241.08607	2.0
241.12270	2.6
243.10043	2.0
245.13327	1.4
246.10538	1.3
247.09338	4.8
249.09071	1.2
249.12958	3.2
249.16359	1.1
251.10648	1.6
252.11235	1.1
253.12299	4.0
253.15984	2.1
255.13823	2.9
257.11789	2.0
258.10306	1.2
259.09674	1.9
259.13156	1.6
259.32404	1.0
261.12909	1.4
261.16318	1.9
262.13446	1.1
263.14410	3.0
263.17877	1.2
265.12344	6.8
265.15341	1.1
266.12833	2.0
267.13812	2.9
267.17462	1.1
271.09662	2.2
273.12775	2.4
276.11435	1.2
277.12100	1.3
277.15933	1.9
279.13818	1.8
281.11896	2.6
281.15320	1.6
282.91718	1.1
283.13361	3.2
286.13443	1.2
287.09286	1.6
287.14066	3.0
291.13815	3.2
291.17291	1.4
293.15363	2.1
295.13470	1.2
295.16824	1.1
301.15799	2.4
303.12238	6.8
305.15292	3.4
307.16739	2.0
309.14993	1.1
309.18390	1.7
311.12881	3.2
312.13397	1.3
312.26239	1.1
313.14429	3.4
317.15182	1.8
319.13361	2.1
319.16858	2.2
321.13406	7.7
321.18445	1.3
323.16373	5.3
325.17908	1.3
329.15158	1.4
331.16675	1.2
333.14832	3.6
333.18384	1.4
337.18109	2.4
347.16437	3.5
347.20169	1.6
349.17819	1.4
351.15836	3.4
359.20139	1.9
361.18118	1.5
365.17383	8.5
367.19052	1.8
369.17017	1.2
375.15817	2.1
375.19669	2.8
377.21149	2.4
379.15112	2.0
385.18021	1.3
387.19699	2.1
393.16678	6.3
393.21170	2.1
395.22421	5.0
403.19174	5.8
405.20816	5.1
407.22455	2.5
411.17816	2.7
413.17505	1.2
421.20410	29.9
422.20465	1.5
423.21695	16.1
424.22153	2.5
431.18515	9.9
432.19125	1.3
433.20047	3.0
435.21854	3.1
437.23663	1.8
439.22171	5.7
441.22983	2.1
449.19550	34.6
450.19769	2.9
451.20721	7.8
452.21353	1.4
452.81436	1.0
453.22961	17.7
454.23151	1.7
467.20639	100.0
468.21051	8.8
469.22455	3.3
477.18689	9.8
478.19144	1.2
485.21729	9.9
495.20068	59.4
496.20294	5.8
513.13599	11.7
513.21191	24.9
513.27948	2.0
514.13934	2.0
514.21436	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
53.18799	0.5
55.05513	79.5
56.05845	1.4
63.89256	0.5
66.05907	0.5
70.06577	0.4
71.32129	0.6
81.07066	0.5
83.04983	100.0
84.05333	1.5
85.10167	0.5
88.07644	0.6
102.09200	0.7
115.03922	0.5
128.23181	0.5
129.63277	0.4
159.08070	0.5
205.06525	0.7
219.08102	1.3
225.09248	0.7
229.08582	0.5
232.08852	0.9
233.09691	0.8
235.07558	1.3
237.09198	0.5
239.07161	0.8
239.10818	0.5
241.08568	0.7
243.06815	0.6
246.06757	0.7
247.07707	1.7
248.08356	1.4
249.09152	2.4
250.09854	0.5
251.07060	0.9
251.10739	0.9
253.08736	0.5
254.05919	0.5
254.09210	0.8
255.06535	0.9
256.07611	0.6
256.26410	2.0
257.08017	0.7
261.08997	0.8
262.06079	0.5
262.09818	1.0
263.07074	2.0
263.10773	1.6
264.07745	1.2
265.08652	2.0
265.12341	0.9
266.05630	0.6
267.06543	1.5
267.10330	0.6
267.14694	0.5
269.08206	1.5
270.05298	0.6
271.05905	0.9
276.07837	1.5
277.08627	2.6
278.09354	1.9
279.06592	1.4
279.10205	2.7
280.07336	0.5
280.10916	1.0
281.08157	1.3
281.11447	0.9
283.05975	0.7
283.26376	2.0
284.06818	0.7
285.07620	2.1
289.08484	0.7
290.09396	0.9
291.06577	1.4
291.10208	2.5
292.07654	0.6
292.11075	1.6
293.08105	1.9
293.11780	2.3
294.08838	1.2
294.12344	0.8
295.06320	0.7
295.09756	1.7
295.13147	1.2
296.06958	1.6
296.14276	0.6
297.07635	1.8
297.11081	0.8
299.05615	1.3
299.09280	1.9
303.10110	0.6
304.07355	0.9
304.10907	0.6
305.08118	3.6
306.08923	1.9
306.12372	0.7
307.06393	0.8
307.09680	3.9
308.10419	1.7
309.07925	1.0
309.11102	2.4
310.08417	1.2
310.11844	0.7
311.09229	0.7
311.12610	1.1
312.09872	5.2
313.07040	2.1
313.10513	1.2
314.07861	1.0
315.08688	1.3
318.08826	1.1
319.05920	0.6
319.09702	2.0
320.10468	4.3
321.07535	2.7
321.11328	5.3
322.08289	1.5
322.12036	2.3
323.09064	1.3
323.12811	3.1
324.10046	1.0
324.13464	3.3
325.10892	1.4
327.08655	0.9
327.15964	0.7
328.09509	1.9
329.10129	4.9
330.10971	7.7
333.11227	1.3
334.08331	0.8
335.09180	1.4
335.12903	0.5
336.09958	3.4
337.10745	5.1
337.14410	1.0
338.11469	1.8
339.08527	1.2
339.12387	3.4
340.13068	2.0
342.11087	2.2
343.11792	7.2
348.10025	0.5
349.10782	3.3
350.11554	1.2
351.12265	18.4
352.13040	8.3
353.10193	1.1
353.13882	3.8
354.14578	2.7
355.11624	1.2
355.15479	6.9
363.12350	0.9
364.13034	4.0
365.13788	1.7
367.11807	2.3
368.12546	1.9
369.13336	5.8
370.13739	0.9
371.11011	4.9
371.14694	0.9
381.13187	1.4
382.14087	16.7
383.14868	27.5
384.15298	1.7
385.16446	2.2
395.14923	5.6
398.13556	1.6
401.16138	0.8
413.15927	17.4
414.16223	1.2
417.32126	0.5
431.17148	1.4
472.37860	0.5
512.50519	3.2
513.21320	24.6
513.35651	5.3
513.50818	1.8
514.21509	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
53.78824	0.8
55.01869	3.2
55.05508	2.9
57.03436	3.1
61.02936	1.0
65.03940	2.4
67.05206	0.9
67.05510	7.3
69.03422	6.7
69.07047	2.0
69.40272	4.4
71.01356	0.9
71.04997	0.9
73.02915	2.3
79.05494	9.5
81.03384	1.3
81.07056	26.7
83.04975	2.5
83.08601	1.2
85.02909	5.8
85.06535	1.5
91.05478	12.6
93.07031	8.3
93.07434	0.7
95.04991	4.0
95.08606	20.0
97.02879	6.7
97.06535	2.5
99.04453	2.4
103.05461	1.3
105.03349	1.1
105.07030	9.1
105.52747	0.8
107.04951	2.7
107.08604	8.2
109.02885	1.7
109.06522	12.3
109.10163	2.5
111.04443	2.8
111.08065	2.0
113.05976	1.1
115.03909	2.0
115.05478	2.3
117.07035	3.7
119.04955	2.4
119.08566	8.1
120.08894	1.0
121.06490	5.2
121.10127	2.3
123.04447	1.6
123.08080	9.7
125.05933	1.7
125.09652	0.9
127.03911	2.0
128.06224	2.7
129.07027	5.0
131.04916	2.4
131.08556	5.4
133.02901	1.9
133.04955	1.9
133.06505	7.1
133.10120	3.4
135.08102	4.1
135.11609	1.5
137.05971	25.8
137.09616	1.3
139.03973	0.9
139.07571	1.8
141.07059	4.1
142.07791	2.6
143.08566	6.0
143.30682	0.8
145.04999	0.9
145.05426	1.2
145.06464	7.7
145.10124	4.2
146.07225	1.4
147.04437	1.1
147.08060	5.3
147.11659	2.0
149.05981	4.3
149.09650	1.2
151.07524	4.1
153.05583	1.7
153.06992	2.2
153.09096	1.3
154.07829	1.5
155.08562	7.1
156.09259	1.6
157.06490	2.1
157.10126	4.3
158.07219	1.0
158.39345	0.9
159.04390	1.4
159.08022	7.5
159.11656	1.6
160.08661	1.0
161.06020	2.9
161.09602	5.1
163.07581	3.6
165.05492	1.4
165.07028	3.4
165.09106	0.9
166.07784	1.3
167.07112	1.2
167.08551	3.6
168.09325	1.3
169.06488	1.4
169.10135	3.7
170.10709	1.0
171.08060	6.2
171.11693	1.7
172.08710	1.2
173.05978	2.3
173.09592	5.2
174.06781	0.9
174.10384	1.1
175.07552	3.2
175.11250	1.2
177.09160	1.9
178.07698	1.2
179.07211	1.1
179.08459	4.4
180.09268	1.5
181.06555	1.5
181.08705	1.0
181.10155	3.3
182.07249	0.8
182.10899	0.9
183.08051	10.5
183.11650	2.7
184.08382	7.7
185.05913	1.2
185.09618	4.2
185.13232	1.1
187.07567	5.4
187.11197	2.1
189.07111	1.0
189.09128	2.7
191.08560	1.9
192.09322	2.0
193.08575	1.5
193.10184	3.6
194.10782	1.9
195.08073	3.3
195.09935	0.9
195.11678	4.0
196.08813	1.7
197.06024	1.0
197.09561	5.2
197.13300	2.0
198.09985	1.9
199.07573	2.6
199.11293	2.3
201.09042	4.4
202.07838	1.1
203.08580	1.6
204.09299	1.6
205.06511	1.0
205.10161	3.1
207.08145	2.1
207.11717	3.1
208.08760	1.6
208.12440	0.9
209.09639	4.6
209.13306	2.6
210.10194	1.0
211.07573	1.6
211.11209	4.8
213.09132	2.6
213.12871	1.4
215.08624	1.4
215.10585	1.2
217.08369	1.5
217.10214	2.9
218.10910	1.5
219.08145	1.3
219.11708	2.9
220.08887	1.2
221.09702	4.5
221.13335	2.2
222.10291	1.6
223.07527	1.2
223.11172	5.1
224.08324	1.0
224.11908	1.5
225.09204	2.1
225.12741	2.6
226.09641	1.0
227.10742	2.0
229.10234	1.4
231.08081	1.5
231.11859	2.1
232.08748	2.1
233.09692	3.2
233.13300	1.2
234.10347	1.4
235.11197	7.0
235.14734	1.1
236.11978	1.1
237.09096	2.3
237.12770	3.8
238.09871	1.5
238.13515	1.3
239.10674	3.3
239.14404	1.0
240.11401	1.1
241.12279	2.4
245.09616	2.0
245.13501	1.0
246.10368	1.2
247.11078	2.7
247.14876	1.4
249.09071	1.5
249.12766	3.4
250.09711	1.4
250.13425	1.1
251.10701	3.1
251.14438	2.3
252.11414	1.0
253.12267	3.2
255.13899	1.4
259.11099	1.5
260.11911	1.5
261.09006	1.1
261.12762	2.0
263.10675	3.0
263.14316	3.4
264.11423	1.2
265.12399	4.3
265.15939	1.9
273.12585	1.6
275.10678	1.1
275.14279	2.6
277.12338	1.8
277.15814	1.7
279.10123	1.7
279.13818	2.0
281.11783	2.7
281.15253	1.0
282.12573	0.9
283.13226	2.2
285.11136	1.4
287.13425	1.3
289.12421	1.0
291.13892	2.1
293.12192	0.8
293.15421	3.6
295.13400	1.5
299.12723	2.7
303.10272	1.2
303.13773	2.3
305.15387	1.2
307.13351	1.2
307.16595	1.0
309.14874	1.2
311.16370	2.4
321.14859	3.3
339.15961	3.4
351.15790	1.2
357.13477	1.5
373.17834	1.4
384.55493	1.1
389.17435	1.3
391.19016	2.7
397.16647	1.3
401.17535	2.4
403.18793	1.8
407.18527	1.6
415.17636	3.9
419.18521	11.3
420.19040	2.1
421.20200	2.8
431.18576	2.4
433.19882	1.2
437.19577	100.0
438.20044	11.8
449.19440	3.8
467.20673	9.3
468.21332	1.0
477.19153	2.7
485.21478	1.0
489.98007	1.1
495.20099	5.5
495.26764	1.4
513.21100	8.0
513.25580	1.6
513.27802	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01866	1.8
55.05509	3.0
57.03430	1.3
58.10966	0.4
58.87741	0.4
65.03937	1.1
65.92686	0.4
66.09161	0.4
67.05503	7.1
67.87506	0.5
68.99778	0.7
69.03433	4.6
69.07059	2.1
69.84940	0.4
71.04986	1.2
71.30859	1.0
73.02914	0.9
77.03926	0.5
79.05493	9.2
81.03421	2.1
81.07056	24.5
82.07413	0.7
83.04977	2.2
83.08616	1.2
85.02921	0.9
85.06549	1.3
91.05481	9.6
93.07037	8.3
95.01357	0.5
95.04967	4.0
95.08604	22.8
97.02888	4.6
97.06528	3.0
97.10157	0.6
99.04451	2.8
99.08109	0.4
103.05472	1.6
105.03391	1.7
105.07030	9.3
105.07745	0.5
106.07362	0.7
107.04935	2.6
107.08591	8.5
107.09283	0.8
109.02910	1.8
109.06517	14.5
109.07245	0.8
109.10144	2.5
111.04435	3.6
111.08086	2.1
112.64147	0.4
113.06010	0.8
115.03922	0.4
115.05452	2.1
116.06261	0.5
117.07034	4.7
119.04942	1.4
119.08562	7.0
120.08847	0.5
121.06523	5.0
121.10146	2.6
123.04427	1.3
123.08068	9.6
123.11701	1.0
125.05986	1.2
125.09622	1.2
127.03913	0.9
128.06209	2.1
129.06996	3.8
130.07861	0.6
131.04918	2.2
131.08571	5.7
133.02852	2.1
133.04994	0.6
133.06483	6.5
133.07410	0.6
133.10124	3.5
135.04428	0.6
135.08064	4.5
135.11728	1.2
137.05974	21.6
137.09645	0.8
138.06332	0.7
139.03859	1.3
139.07555	1.7
139.26695	0.4
141.06960	2.8
142.07773	1.6
143.05009	0.7
143.08589	5.2
144.05673	0.6
145.06465	7.6
145.10104	3.9
146.07210	0.8
147.04427	0.8
147.08052	6.4
147.11713	1.6
149.05981	4.6
149.09656	1.6
149.13234	0.6
151.04012	0.5
151.07545	5.1
152.06186	1.0
152.62170	0.4
153.05476	1.7
153.06996	1.4
153.09128	1.2
154.07768	1.3
155.07240	0.9
155.08533	5.4
156.09329	1.1
157.06447	2.6
157.10130	4.0
158.07291	2.3
159.04410	1.4
159.08049	6.9
159.11719	1.9
160.08676	0.7
161.05966	2.4
161.09607	3.9
162.06842	0.6
163.07512	3.5
163.11241	1.1
165.05469	1.5
165.07013	2.7
165.09186	1.3
166.07771	1.6
167.07037	1.7
167.08574	3.4
168.09361	1.2
169.06506	2.0
169.10086	3.6
170.07257	1.0
171.08025	6.8
171.11714	1.9
172.08696	0.9
173.06027	2.7
173.09601	4.9
173.13257	0.6
174.10320	0.5
175.03889	0.9
175.07574	3.9
175.11174	1.5
177.09132	2.5
178.07794	1.7
179.07114	1.0
179.08578	3.6
179.10027	0.5
180.09309	1.2
181.06505	1.6
181.08615	1.7
181.10144	3.4
182.07314	1.1
182.10994	0.8
183.08040	5.0
183.11673	2.4
184.08847	1.6
185.06026	2.1
185.09610	6.8
185.13191	0.8
186.10306	1.4
187.07533	6.6
187.11200	1.4
188.08334	1.2
189.09151	3.3
191.06989	1.2
191.08551	1.0
191.10677	0.7
192.09314	2.3
193.08656	0.8
193.10143	4.2
193.11945	0.7
194.07269	1.0
194.10960	1.1
195.08022	3.4
195.11705	3.2
196.08878	1.8
197.05916	0.7
197.09669	3.8
197.13263	0.9
198.10403	0.8
199.07555	2.1
199.11128	2.4
199.14896	0.6
201.09093	3.3
201.12779	0.6
201.16431	1.7
202.07794	1.2
203.08600	1.3
203.10707	0.8
204.09335	1.9
205.06610	0.8
205.10126	2.1
206.10905	1.2
207.08127	1.5
207.10051	0.9
207.11763	4.4
208.08830	1.5
208.12456	0.5
209.09689	3.4
209.13277	2.1
210.10385	1.4
211.07640	2.1
211.11194	3.5
211.14900	0.6
212.11888	0.8
213.09189	2.2
213.12694	1.3
214.09813	0.6
215.06926	0.8
215.08698	1.0
215.10567	1.0
216.09389	1.0
217.10275	2.7
218.07239	0.9
218.10883	1.2
219.08072	1.5
219.11731	2.4
220.08803	2.2
220.12282	0.6
221.09622	3.7
221.13255	2.3
222.10374	1.7
223.07629	0.8
223.11136	4.0
223.14833	1.0
224.11856	0.9
225.09261	2.3
225.12730	3.8
227.06876	0.7
227.10718	1.5
229.10226	1.1
229.12206	1.1
230.10947	0.7
231.08017	0.7
231.11740	1.4
232.08847	1.1
232.12602	0.7
233.09621	2.8
233.13219	1.7
234.10345	1.5
235.07533	1.0
235.11217	7.0
235.14816	1.3
236.11855	1.3
237.09068	2.0
237.12723	3.9
238.13454	0.9
239.10690	2.5
239.14304	1.4
240.14799	0.6
241.08392	0.7
241.12161	0.8
243.09976	1.1
243.13963	0.5
244.12582	0.6
245.09627	1.8
245.13426	0.9
246.10352	1.3
247.11197	2.9
247.14888	1.7
248.08344	1.1
248.11781	0.9
249.09016	1.1
249.12973	3.0
250.09750	0.9
250.13486	1.0
251.10687	3.4
251.14326	2.7
252.11565	0.6
253.08614	0.5
253.12285	3.5
253.15891	0.8
255.10147	1.0
255.13864	1.4
257.11801	1.3
259.11194	1.3
259.14792	0.7
260.11884	0.7
261.09195	1.1
261.12680	2.5
262.09967	0.9
262.13327	0.8
263.10770	4.4
263.14160	2.6
264.11450	0.9
265.12302	3.3
265.15906	1.7
266.13120	1.0
267.10229	0.8
267.13809	2.1
269.11716	1.0
269.15457	1.0
271.13382	1.0
273.12802	1.2
275.10718	1.6
275.14316	2.8
276.11429	0.8
277.12207	2.8
277.15518	1.0
278.13007	0.7
279.10370	0.9
279.13837	2.7
281.11780	4.4
281.14929	0.9
282.12424	0.9
283.13321	2.4
283.16614	0.6
285.11328	1.3
287.14255	0.6
289.12231	1.3
289.15729	1.0
290.13025	0.7
291.13812	1.8
293.11865	1.1
293.15402	4.1
294.16043	0.8
295.13336	1.9
295.16620	0.6
297.11478	0.7
297.14978	1.0
298.16455	0.5
299.12766	8.1
303.10211	0.6
303.13779	1.8
305.15359	1.8
307.13312	2.1
307.16776	0.8
309.14911	1.7
311.16550	1.1
313.10864	0.8
315.12457	1.0
317.14804	0.5
319.13242	0.7
321.14798	3.2
323.12833	0.8
323.16412	1.7
325.14313	1.3
325.17981	0.8
331.11835	0.6
333.14719	1.2
335.12762	0.6
335.16403	1.5
339.12335	0.7
339.15955	2.6
341.13763	0.9
341.17651	1.0
347.16714	0.7
349.14236	0.6
351.15634	2.3
355.16510	0.6
357.13376	0.7
359.15308	0.7
361.14188	0.8
361.18091	0.6
363.15588	0.7
363.19617	0.6
369.16864	1.4
373.17886	1.3
377.17477	0.9
379.15082	0.8
389.17343	0.6
391.19025	4.1
393.16470	0.7
395.18567	1.0
397.16586	2.0
401.17383	1.7
403.19040	1.3
407.18433	1.1
409.20090	2.3
415.17599	4.1
417.16931	0.8
419.18442	10.6
420.19110	3.0
421.20111	1.8
423.17938	0.6
431.18622	3.0
431.25256	0.5
433.19940	1.5
437.19586	100.0
438.20044	12.0
439.20889	0.8
441.16861	0.8
441.29718	0.6
449.19547	5.5
451.21109	2.0
459.17987	1.3
459.25061	1.0
459.31250	0.8
467.20593	16.2
468.21057	1.3
477.19034	2.9
477.26263	1.5
485.21490	1.2
495.20105	6.2
495.27350	1.9
513.21143	9.8
513.27661	2.2
514.21509	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85549	0.3
53.03908	1.3
55.05462	3.8
57.03389	2.6
65.00314	0.3
65.03897	1.1
67.05505	4.2
69.03426	7.9
69.07022	0.8
69.09570	1.2
69.09995	1.8
71.04945	1.3
77.03897	0.6
79.05487	6.2
81.03413	2.5
81.07053	9.2
83.01280	1.0
83.04982	3.7
83.08575	0.8
85.02906	1.8
85.06502	0.7
87.00773	0.4
91.05476	10.3
93.07040	8.5
95.04967	4.7
95.08606	6.0
97.02829	1.1
97.06511	2.0
99.04391	1.0
103.05458	3.2
105.04490	0.4
105.07016	10.2
107.04938	2.7
107.08581	6.6
109.02773	0.6
109.06512	10.9
109.10085	1.5
111.04370	1.4
111.08077	6.0
112.54207	0.4
113.05951	0.4
115.05439	1.9
117.07005	4.7
119.04867	1.4
119.08573	7.6
121.06502	14.6
121.10130	3.2
122.07260	0.7
123.04371	0.9
123.07182	0.6
123.08054	10.4
123.11636	0.4
125.05920	1.6
128.06221	4.0
129.06990	6.1
130.07745	0.9
131.04025	0.7
131.04922	10.3
131.08562	5.7
133.06482	3.4
133.09238	0.3
133.10115	4.9
135.04344	1.1
135.07092	0.4
135.08040	6.6
135.11621	1.2
137.05972	9.1
137.09528	1.5
139.07521	7.2
141.06050	0.4
141.06989	3.7
142.07777	1.8
143.08566	7.2
144.05624	0.8
144.09151	0.5
145.06485	7.8
145.10117	6.6
146.07278	1.9
147.08043	12.6
147.11673	2.7
148.08574	0.4
149.05971	5.8
149.09598	4.0
149.13174	0.5
151.07507	1.8
151.11143	0.5
152.06094	0.7
153.05470	6.6
153.06873	1.1
154.07697	0.9
155.08545	3.7
156.09271	0.8
157.06462	3.0
157.10097	5.3
158.07266	2.0
159.04367	0.7
159.06787	0.7
159.08046	10.4
159.11667	2.5
160.08786	0.7
161.05882	1.3
161.09608	9.4
161.13203	0.7
162.06761	0.4
162.10068	0.6
163.07536	2.6
163.11153	2.2
165.05539	0.4
165.06912	1.8
165.09084	1.2
165.12772	0.5
166.07677	0.9
167.07042	25.9
167.08492	2.5
168.07349	0.8
169.06427	1.5
169.10097	3.5
170.07159	0.7
171.06601	0.5
171.08040	8.4
171.11682	2.1
171.39258	0.3
172.08754	1.2
173.05969	2.6
173.08258	0.5
173.09621	8.6
173.13177	1.4
174.06720	0.7
174.10283	0.7
175.07542	6.9
175.11157	4.3
177.05363	0.6
177.09117	3.7
177.12622	0.6
178.07730	0.7
179.06993	1.0
179.08472	2.0
179.10577	1.3
180.09241	0.9
181.06401	1.2
181.08696	0.5
181.10040	3.0
181.11646	0.5
182.07137	0.5
183.08020	3.4
183.11613	2.1
184.08664	1.3
185.05977	0.7
185.09612	9.5
185.13171	1.3
186.10397	1.7
187.07582	3.3
187.11162	10.8
188.11711	1.2
189.05463	0.5
189.09096	4.6
189.12689	1.7
189.23254	0.4
190.07713	0.5
191.07060	2.9
191.08568	0.8
191.10631	2.3
192.09315	1.0
193.08505	1.3
193.10069	2.6
193.12146	1.8
194.10693	0.5
195.08057	1.9
195.09947	0.5
195.11638	3.4
196.08752	1.0
197.05957	0.5
197.09558	4.4
197.13162	1.6
198.10269	1.0
199.07599	1.8
199.11168	4.2
200.08243	0.9
201.09068	3.3
201.12721	2.0
203.06969	1.4
203.08644	0.8
203.10619	2.2
203.14166	0.7
204.09207	0.7
205.08470	3.0
205.10109	1.2
205.12032	0.8
206.10832	0.9
207.07941	0.8
207.10201	0.6
207.11749	2.4
208.08746	0.6
208.12350	0.7
209.09634	3.6
209.13155	1.1
210.10271	1.2
211.07497	1.5
211.11110	3.3
211.13216	1.6
211.14862	0.4
212.11786	0.5
213.09114	5.0
213.12659	3.4
214.09706	0.9
215.06860	0.5
215.10649	3.3
215.14079	0.7
216.09297	0.8
216.11281	0.5
217.05026	0.5
217.08446	3.6
217.10078	0.6
217.12154	1.1
218.10823	0.7
219.06511	20.2
219.09932	7.1
219.13533	0.6
220.06841	0.7
220.12271	0.5
221.09535	1.4
221.13306	1.9
221.15027	0.4
222.10274	1.0
223.07472	0.8
223.11179	4.4
223.14604	0.7
224.08189	0.6
224.11778	0.8
225.09128	2.6
225.12720	2.6
226.09795	0.7
227.06839	0.7
227.10649	2.8
227.14253	1.2
228.11269	0.4
229.08371	1.6
229.10196	0.8
229.12071	2.6
230.10751	1.0
231.06514	0.5
231.09933	4.0
231.13792	0.8
232.12469	0.4
233.07965	1.5
233.09560	1.2
233.13203	1.6
234.10184	0.9
235.09311	1.2
235.11107	2.3
235.14781	1.4
236.11906	0.7
237.09018	1.0
237.12738	4.0
238.13332	0.8
239.10669	1.9
239.14291	2.0
241.08528	2.0
241.12170	2.1
242.09084	0.6
242.12946	0.7
243.09827	1.8
243.13797	0.7
244.12506	0.5
245.07820	0.8
245.13400	2.4
246.10320	0.7
247.09227	3.8
248.11864	1.3
249.09039	0.6
249.12822	3.5
249.50565	0.4
250.13405	0.7
251.10683	2.0
251.14230	1.6
252.11337	0.8
253.12263	3.0
253.15938	0.9
254.13025	0.7
255.09924	0.7
255.13855	1.9
257.11414	1.8
259.09534	1.3
259.11078	0.6
259.13116	3.7
260.11896	0.5
261.11063	1.2
262.09952	0.6
262.13354	1.0
263.10638	0.9
263.14487	2.8
264.11313	0.6
264.14914	0.8
265.08206	0.5
265.12161	5.4
265.15732	1.4
266.13116	1.8
266.15765	0.4
267.09970	0.8
267.13754	2.7
269.07855	0.6
269.11545	0.7
271.09311	2.2
271.14951	0.5
272.12039	0.5
273.12662	1.5
273.16174	0.5
274.13339	1.1
275.12952	1.3
276.11301	0.4
277.12219	1.7
277.15790	2.5
278.16489	0.6
279.10181	0.8
279.13641	1.3
279.17401	1.1
281.11682	1.3
281.15283	1.1
283.13306	3.9
285.11578	0.4
285.17203	0.6
287.09094	1.0
287.13019	1.1
288.14468	0.4
289.12228	0.9
289.15784	1.2
290.12924	0.8
291.13684	2.0
291.17395	1.1
292.14227	0.7
293.11575	1.1
293.15363	0.9
293.18808	0.5
295.13263	1.1
295.16873	2.1
299.13782	0.5
301.12436	0.8
301.15579	0.8
302.12888	0.5
302.16324	0.5
303.12164	7.0
303.17459	0.9
305.15369	3.5
306.15894	0.9
307.13419	0.8
307.16907	1.5
309.11108	1.2
309.14828	1.0
309.18323	0.8
311.12717	3.1
312.13437	0.7
313.14633	1.9
315.13733	1.4
316.14352	0.5
317.15192	0.9
319.13239	1.3
319.16928	2.4
321.13254	6.1
321.18402	0.8
323.12738	0.6
323.16376	4.8
323.19867	0.7
325.18265	0.5
327.12299	0.5
329.14984	1.3
331.13226	0.7
333.14734	3.4
333.18494	0.9
334.15195	0.4
335.16437	1.0
337.14288	0.6
337.18027	2.2
339.12125	0.4
340.12769	0.5
343.17035	1.1
345.14764	0.6
347.16348	3.5
347.20319	0.8
349.14127	0.8
349.17972	2.1
349.21677	0.6
351.15863	2.8
353.17361	0.6
357.18518	1.2
359.20102	0.9
361.14145	0.7
361.18069	0.7
363.15619	0.6
363.19479	0.8
365.13400	0.7
365.17487	7.5
366.17865	0.9
367.18796	1.2
369.16867	1.1
371.16437	0.6
375.15604	2.8
375.19952	2.4
377.17709	0.6
377.21286	4.0
379.15152	1.8
383.18317	0.6
385.18027	1.4
387.19513	1.9
389.17389	1.2
393.16556	5.7
393.20822	1.1
395.18103	0.6
395.22372	5.5
403.19113	4.7
405.20563	4.3
406.21158	0.5
407.18082	0.9
411.17853	3.1
413.17426	1.4
413.22717	0.4
417.16916	0.7
421.20370	26.1
422.20901	2.5
423.21631	16.5
423.27356	0.7
424.21918	1.3
425.23492	0.8
431.18417	8.0
432.18961	1.0
433.20023	3.8
434.20303	0.4
435.17569	0.6
437.23376	0.5
439.16684	2.3
439.22098	6.6
440.21814	0.6
441.22632	2.0
449.19550	35.6
450.19846	3.4
451.21027	9.4
452.21313	0.6
453.22534	1.8
459.17981	1.5
459.25171	0.4
467.20612	100.0
468.20944	9.0
469.21454	3.3
477.19092	11.8
477.25934	0.8
478.19446	1.2
485.21552	8.6
486.22049	0.7
495.20084	63.6
496.20453	5.3
513.21173	24.4
514.21619	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
55.01865	2.1
55.05505	6.0
59.60994	1.0
65.03948	1.1
67.05496	8.8
69.03429	9.7
69.07051	3.0
70.66964	1.7
70.67278	1.6
71.04995	5.9
71.77698	1.2
72.73401	0.9
73.02918	2.9
73.83011	1.1
75.10114	1.1
77.03922	1.4
77.31361	1.0
79.05497	11.8
81.03418	3.0
81.07054	21.0
83.04975	3.7
83.08589	1.8
85.02911	3.0
85.06538	4.0
91.05486	14.7
93.07042	14.0
95.04967	17.0
95.08619	12.1
97.02883	7.8
97.06525	8.1
99.04453	14.3
103.05488	2.5
105.07029	18.1
107.04964	4.0
107.08582	11.2
109.02879	1.3
109.06516	23.9
109.10159	4.4
111.04441	5.3
111.08086	5.2
114.12670	1.0
115.03939	1.2
115.05479	2.7
116.06206	1.1
117.07034	10.0
119.04941	1.4
119.08577	18.3
121.06509	15.8
121.10140	7.6
123.04428	3.2
123.08068	24.4
123.11729	1.4
125.06000	5.2
125.09602	1.9
127.03920	5.3
128.06204	7.0
129.07013	11.4
130.07816	1.0
131.04970	3.5
131.08572	14.4
133.05014	1.7
133.06502	4.5
133.07445	1.0
133.10115	9.5
135.04431	1.7
135.08057	8.5
135.11688	3.5
137.05983	15.9
137.09572	2.6
139.07549	4.0
139.11125	1.1
141.06995	9.2
142.07802	5.7
143.08568	25.2
144.09389	1.4
145.06485	8.9
145.10112	15.6
146.07263	1.3
147.08051	13.5
147.11681	9.7
149.05969	3.1
149.09633	3.7
151.07532	2.2
153.05458	5.7
153.06996	3.7
153.09050	1.4
154.07744	3.7
155.08551	16.6
156.09315	5.7
156.26735	1.1
157.06477	3.0
157.10126	16.5
158.07265	2.8
158.10858	1.7
159.04440	1.1
159.08044	13.2
159.11676	10.0
160.08876	1.1
161.05994	2.9
161.09627	11.8
161.13228	1.6
163.07562	1.9
163.11183	2.8
165.05574	2.2
165.07011	6.3
165.09142	2.3
165.12852	1.2
166.07741	2.5
167.07053	8.9
167.08578	12.8
168.09320	3.9
169.10133	25.0
170.10796	2.4
171.08000	8.0
171.11705	24.0
172.08890	1.7
173.09666	9.0
173.13223	7.1
174.10365	1.1
175.07582	4.5
175.11171	3.8
177.09027	1.5
178.07797	4.0
179.07129	1.7
179.08545	9.7
180.09311	5.7
181.10130	21.1
182.10866	6.0
183.06613	1.4
183.08032	4.9
183.11705	15.3
184.08498	2.5
184.12311	2.1
185.09628	8.7
185.13231	9.8
187.07544	3.1
187.11165	6.3
187.14865	1.9
189.09120	4.3
189.12727	2.3
191.07004	2.1
191.08604	3.3
191.10686	1.5
192.09337	6.3
193.08543	2.6
193.10130	16.9
194.10875	4.8
195.08044	3.5
195.11671	19.4
196.12367	3.5
197.09572	6.2
197.13235	8.3
198.10284	1.8
199.07555	1.8
199.11208	6.4
199.14842	2.3
201.09164	3.0
201.12802	3.3
201.16438	1.7
202.07851	1.2
203.06908	2.3
203.08609	3.4
203.10634	2.4
204.09390	4.3
205.08534	2.2
205.10168	8.0
206.10919	6.1
207.08203	2.1
207.09956	1.2
207.11700	16.5
208.12421	3.2
209.09676	4.6
209.13239	16.2
210.10315	1.1
210.13936	3.5
211.11176	4.7
211.14778	3.5
213.09102	2.8
213.12808	3.8
213.16562	1.2
215.10666	2.1
216.09325	3.7
217.08514	3.1
217.10342	7.6
218.10847	7.3
219.06543	4.5
219.11784	11.7
219.17657	1.2
220.12471	4.4
221.07841	1.3
221.09665	3.1
221.13220	17.2
222.13934	3.4
223.09357	1.4
223.11491	5.7
223.14819	11.6
224.11882	2.8
225.09036	1.5
225.12798	5.7
225.16391	3.3
227.10689	2.1
227.14288	2.3
229.10234	2.3
230.10909	4.3
231.11674	4.8
232.12383	4.7
233.09729	2.2
233.13278	15.6
234.10461	1.8
234.14015	4.8
235.11421	5.6
235.14871	14.4
236.11821	2.5
236.15500	2.5
237.12790	8.0
237.16362	8.4
238.13478	2.1
238.17010	1.9
239.10667	1.9
239.14259	4.3
239.17923	2.7
241.10062	1.4
241.12227	2.1
243.11697	2.3
244.12483	2.4
245.09717	2.3
245.13376	7.6
246.10510	2.0
246.13913	4.1
247.11328	2.6
247.14902	12.9
248.11948	3.0
248.15613	1.6
249.09030	1.5
249.12758	9.4
249.16449	7.5
250.13409	1.9
251.14301	36.2
251.17958	2.9
252.14909	4.4
253.15897	15.9
255.13858	1.7
255.17419	1.3
257.13312	2.9
258.13956	2.4
259.15024	4.9
260.11963	2.4
260.15802	1.2
261.12888	5.0
261.16370	4.4
262.13412	1.8
263.10831	2.3
263.14316	18.5
263.17899	4.9
264.15070	4.6
265.12424	1.9
265.15881	15.3
265.19464	3.4
267.13885	1.9
267.17368	2.1
269.15427	3.8
271.14871	1.7
272.15430	1.4
273.12631	2.7
273.16376	1.8
274.13498	1.6
275.14288	6.1
275.17929	4.1
276.15125	2.1
276.18735	1.2
277.12405	1.4
277.15845	7.1
277.19540	2.5
278.16629	1.2
279.13788	4.3
279.17435	10.5
280.18130	4.2
281.12372	1.5
281.15396	6.9
281.18967	14.4
282.16241	1.5
282.19366	1.4
283.13354	1.6
283.17068	2.2
283.20313	1.5
285.16238	1.6
286.17169	1.7
287.14291	2.5
287.17703	2.0
289.15909	2.3
289.19208	1.3
291.13773	4.0
291.17484	5.2
292.14597	1.4
292.18204	2.8
293.12161	1.4
293.15393	5.9
293.18991	14.2
294.19565	2.7
295.13525	1.3
295.16885	3.7
295.20322	2.5
297.15036	1.8
301.15753	2.6
303.12299	1.7
303.17361	3.7
305.15430	1.9
305.18945	4.5
307.17004	1.9
307.20322	1.4
309.14865	6.7
309.18518	5.9
311.16449	3.8
311.19983	26.0
312.20651	2.8
315.17471	2.5
319.16940	1.8
321.14911	2.5
321.18542	6.8
323.16589	1.6
323.20035	4.1
325.21558	2.4
327.15930	9.1
331.17148	1.5
333.18454	5.9
337.14316	2.1
337.18030	2.0
339.16064	1.2
339.19638	6.8
341.21344	1.7
343.20660	1.7
349.17966	2.3
351.19440	5.3
355.19052	2.4
357.16885	1.8
357.21082	5.1
363.19513	1.3
365.17426	2.4
367.19031	2.3
369.20770	6.5
371.20081	4.1
377.21115	1.4
379.19034	1.8
383.19562	1.6
385.21063	2.6
387.21677	23.1
389.21133	7.5
391.22620	2.8
393.16556	1.6
401.21136	4.2
403.18460	1.8
403.22803	3.3
405.20660	3.0
407.22174	100.0
408.22610	7.5
409.23859	4.7
411.18103	2.4
415.21259	6.8
419.22229	63.2
420.22617	7.1
421.19424	3.6
421.23816	6.4
423.21460	2.5
429.20782	1.6
431.22903	6.4
433.24002	1.4
435.18024	4.2
437.23465	24.2
438.24091	18.4
439.17462	3.6
441.20975	1.6
447.21619	9.2
449.18826	4.8
449.23340	8.2
450.19647	1.6
451.20465	1.4
453.18765	2.4
455.20587	1.5
459.21671	2.8
465.22873	8.1
467.20120	18.7
468.20621	2.0
469.25995	1.8
477.23648	7.3
483.23856	23.0
484.23947	2.1
485.21530	1.6
495.18924	11.6
513.25574	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2485
Annotation	Scutalpin N
Peak:m/z	Relative Intensity
53.03945	3.1
55.05516	4.8
55.20319	1.2
63.20887	1.2
65.03943	1.5
67.05504	8.9
68.99805	1.9
69.03431	13.5
69.07286	6.2
69.92747	1.1
71.04998	2.5
77.03957	1.4
79.05497	17.7
81.03434	1.6
81.07053	49.7
81.07524	2.5
83.04990	4.7
83.08605	1.5
85.02908	2.3
85.06554	3.5
87.04495	1.4
91.05479	21.1
93.07047	17.8
95.04946	6.9
95.08598	17.6
95.88197	1.3
97.02898	11.4
97.06543	4.7
98.22623	2.4
98.97547	2.0
99.04475	4.4
103.05464	1.8
105.07026	26.3
107.04974	4.0
107.08585	15.9
109.02895	3.0
109.06517	28.4
109.10178	5.1
111.04446	4.4
111.08088	6.6
114.39362	1.2
115.03983	1.8
115.05473	2.6
116.06358	1.8
117.07002	10.0
119.04974	3.5
119.08569	24.8
121.06519	10.0
121.10179	8.7
123.04470	3.5
123.08052	10.5
123.11745	2.8
125.06030	4.6
125.09628	2.1
127.29980	1.3
128.06230	6.6
129.07005	10.6
130.07838	1.7
131.08557	16.8
131.09340	1.5
133.06509	6.4
133.10144	14.9
135.04448	1.9
135.08055	14.3
135.11699	2.2
137.05972	48.5
137.09641	5.1
139.07581	2.7
141.07018	6.3
142.07755	7.0
143.08577	15.4
144.09384	1.7
145.06442	6.4
145.10127	16.2
146.07230	1.6
147.08029	13.9
147.11661	8.5
149.06009	5.1
149.09639	5.4
150.06712	1.3
151.07559	3.7
151.11168	1.5
153.05507	2.3
154.07790	2.3
155.08511	10.7
156.09352	4.9
157.06548	2.6
157.10136	22.5
158.07274	1.8
159.08040	17.3
159.11694	8.6
161.06021	9.0
161.09624	10.2
161.13338	3.9
163.07535	10.4
163.11206	3.6
165.05618	1.5
165.06960	2.8
165.09061	2.3
166.07825	1.8
167.07147	1.7
167.08618	4.2
168.09326	3.1
169.10121	10.6
170.10872	1.8
171.08130	3.7
171.11694	14.0
172.08878	2.0
173.05992	1.4
173.09621	11.4
173.13292	3.0
175.07585	6.4
175.11163	16.0
177.09091	3.2
179.07118	1.6
179.08594	3.2
179.10704	1.6
180.09389	3.2
181.10141	7.4
182.10858	2.8
183.08093	5.1
183.11790	5.7
184.02327	1.4
184.08728	1.8
184.12257	1.2
185.09605	18.2
185.13300	4.3
187.07620	4.0
187.11165	7.4
187.14882	1.7
189.09177	5.6
189.12706	7.2
191.08612	1.6
192.09392	2.8
193.10173	5.0
194.10966	1.8
195.08090	3.3
195.11647	9.3
196.08827	2.1
197.09627	8.1
197.13329	5.5
198.10349	1.8
199.11189	11.2
199.14891	2.6
201.09056	6.9
201.12843	3.7
201.16533	1.7
203.10651	3.1
205.10255	2.9
206.10913	2.3
207.08212	1.6
207.10043	1.4
207.11746	4.9
209.09677	5.6
209.13348	3.2
210.10352	2.2
211.11194	9.5
211.14888	3.0
212.11955	1.9
213.09140	4.8
213.12837	5.8
215.10738	3.6
215.14407	2.2
217.10274	1.5
217.12219	1.8
219.10037	2.8
219.11862	3.1
221.09843	2.6
221.13329	4.9
222.10373	2.9
223.11172	8.2
223.14885	4.0
225.09224	2.6
225.12779	6.3
227.10707	5.9
227.14391	3.3
229.12292	2.6
231.13809	2.5
233.09688	1.8
233.13332	4.0
235.11229	4.3
235.14929	2.6
237.12646	9.1
237.16472	2.4
239.10748	2.3
239.14349	4.1
247.09506	2.1
247.15060	1.9
248.11958	2.2
249.12817	5.5
249.16476	1.7
250.13480	1.6
251.10701	3.1
251.14331	6.4
251.17979	2.3
252.15157	1.4
253.12285	3.6
253.16003	3.5
253.19640	1.9
257.11649	1.9
259.11151	1.6
261.13022	1.8
262.13348	2.2
263.10934	2.0
263.14334	3.7
263.17987	2.1
264.14951	2.0
265.12286	3.9
265.15829	1.7
267.13959	3.7
267.17380	3.2
269.15497	2.5
273.11392	2.8
275.14291	1.6
277.15921	2.9
279.13901	3.3
279.17313	2.1
280.14709	1.7
281.15436	3.3
281.19244	2.5
283.13324	16.0
283.16663	1.9
291.17517	5.5
293.15448	1.3
293.19214	4.1
295.13376	2.6
295.16934	1.5
297.14957	3.2
298.15598	1.9
301.15900	2.8
303.17419	2.0
307.16928	3.6
309.14859	4.2
309.18567	9.9
310.19049	1.9
311.12720	2.7
319.17023	5.5
320.17929	1.4
321.14859	1.3
321.18451	3.2
323.16443	2.1
323.20129	2.4
325.17953	4.2
337.17966	3.5
339.15906	1.9
339.19647	1.6
389.21045	3.0
393.20706	3.0
399.19467	1.6
401.21191	1.9
407.22278	10.3
409.23825	2.2
417.20605	10.7
419.22235	19.9
420.23111	1.5
422.81567	1.5
423.21103	2.0
431.22397	3.1
433.23563	2.0
435.21744	75.2
436.22141	6.4
437.23898	1.6
441.20914	1.4
449.23248	4.5
451.24915	10.2
453.22775	100.0
454.23090	7.9
459.21451	3.3
467.24448	11.6
469.25769	16.0
477.22855	13.4
495.23804	68.7
496.24359	6.2
513.25037	67.0
514.25250	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2487
Annotation	Bisphenol A glycidylmethacrylate
Peak:m/z	Relative Intensity
53.03942	2.1
55.05509	1.6
57.07084	0.6
64.73565	0.4
65.03941	1.0
65.92994	0.4
67.05502	3.3
69.03078	0.9
69.03429	9.3
69.07062	1.5
69.07593	4.2
71.04977	0.9
77.03953	0.5
79.05493	16.7
81.03416	0.7
81.07057	100.0
82.07384	1.2
83.04986	1.7
85.02914	1.6
85.06561	0.6
91.05461	4.9
93.07037	4.8
95.04974	2.8
95.08614	2.7
97.02881	1.5
97.06536	0.9
97.10218	0.4
98.07374	0.5
99.04428	0.7
101.22897	0.4
105.04572	0.6
105.07023	4.6
107.04948	0.8
107.08578	2.6
109.06519	30.9
109.10155	1.0
111.04430	1.2
111.08070	1.3
117.07031	1.5
119.04923	0.6
119.08565	2.8
121.06519	2.2
121.10137	1.4
123.08083	1.5
125.06010	0.8
125.09645	0.5
128.06287	1.0
129.07018	1.4
131.08578	2.3
133.06502	1.0
133.10155	2.3
135.08078	2.0
135.11717	0.6
137.05975	95.7
138.06331	1.8
139.07567	0.7
141.06979	0.8
142.07788	1.4
143.08585	2.2
145.06537	0.9
145.10139	2.4
147.08058	2.1
147.11809	0.5
147.69308	0.5
149.06017	0.9
149.09645	0.8
151.07512	1.0
153.05493	0.7
155.08539	2.3
156.09322	0.9
157.06508	0.9
157.10124	2.7
159.08086	2.8
159.11726	1.6
161.05949	1.1
161.09639	1.7
161.13280	1.1
163.11267	0.7
165.05527	0.8
165.07019	1.3
167.07071	1.0
167.08635	1.4
169.10135	2.2
171.08058	1.3
171.11760	1.8
173.09676	1.8
175.07593	0.7
175.11209	0.9
179.07152	0.6
179.08553	2.0
180.09364	0.6
181.10078	2.5
182.10944	0.5
183.08031	1.0
183.11728	1.7
184.08781	0.5
184.11992	0.5
185.09625	1.4
185.13318	0.9
186.10428	0.5
187.07552	0.7
187.11266	1.4
189.09134	0.8
189.12778	0.6
192.09367	0.6
193.10126	1.9
194.10855	0.6
195.08051	0.5
195.11722	2.3
197.09660	1.3
197.13298	1.4
199.11255	2.0
201.09203	0.7
201.12814	0.5
205.10191	0.7
207.11708	2.1
209.09631	0.9
209.13274	1.8
210.13910	0.5
211.11214	2.0
211.14828	0.8
212.11586	0.5
213.12759	0.9
215.10672	0.6
217.10216	0.9
219.11775	0.8
220.12442	0.6
221.13307	0.9
223.11266	0.6
223.14822	0.7
225.12779	1.5
227.10742	0.9
227.14281	0.6
230.10831	0.6
231.11923	0.9
232.12605	0.6
233.09711	0.5
233.13324	1.0
235.11177	1.2
235.14909	1.2
237.12991	0.8
237.16098	0.7
239.10675	0.8
239.14294	1.2
241.15968	0.5
244.12556	0.6
245.13261	0.9
247.11238	0.8
249.12785	1.1
251.14313	1.0
253.15887	1.0
255.17448	0.9
257.13437	0.7
263.14462	1.0
263.18164	0.6
264.14984	0.6
265.15903	0.9
267.14023	1.0
275.14288	0.6
276.14996	0.5
277.15781	0.6
279.13968	0.6
281.15619	0.7
281.19153	0.5
282.16025	0.7
283.16898	4.9
295.16907	0.5
303.17645	0.7
309.18539	2.0
321.18573	1.1
323.19952	0.7
385.20215	1.1
391.22849	0.7
401.21167	1.4
403.21283	0.6
415.26477	0.7
419.22214	14.7
420.22858	4.8
421.23984	0.6
433.23822	1.1
437.23550	1.0
449.23370	3.8
451.24841	1.2
459.25958	1.2
467.24777	0.7
495.23819	17.6
496.24475	0.8
513.24854	67.3
514.25159	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.0
55.01859	2.1
55.05515	7.6
57.07064	1.6
65.03934	3.6
65.32394	1.4
67.05498	14.6
69.03425	7.0
69.07056	8.2
69.15821	11.6
71.04993	9.3
75.49812	1.7
77.54095	1.6
79.05481	16.1
81.03415	3.6
81.07050	31.2
83.04959	6.1
85.02895	4.4
85.06527	7.2
87.99381	1.5
91.05469	20.8
93.07038	18.8
95.04968	12.6
95.08604	14.4
97.02882	7.2
97.06521	8.7
99.04456	21.0
103.05448	2.5
105.06378	2.6
105.07030	29.4
107.04934	5.9
107.08592	12.9
109.02863	2.1
109.06518	29.1
109.10161	8.2
111.04432	4.6
111.08057	3.1
115.05460	5.1
116.06168	1.7
117.07003	17.6
119.04925	2.2
119.08578	22.2
119.92627	1.6
120.13660	1.5
121.06512	14.1
121.10136	11.8
123.04433	4.9
123.08080	13.4
123.11699	4.1
125.05975	11.4
125.09616	2.6
127.03880	5.9
128.06175	9.3
129.07004	17.2
130.07726	2.3
131.08565	22.9
133.06471	4.2
133.10121	14.7
135.04381	3.5
135.08041	7.9
135.11691	5.6
137.05986	21.4
137.09592	1.8
139.03922	2.7
139.07472	2.3
141.06979	10.9
142.07776	9.6
143.08562	32.6
144.09285	2.3
145.06514	7.2
145.10115	22.0
147.04372	1.7
147.08005	12.7
147.11690	17.2
149.05983	2.7
149.09599	6.3
151.07492	3.8
151.11182	1.8
153.05469	7.7
153.06921	4.2
153.09091	1.7
154.07782	5.5
155.08533	25.0
156.09332	10.4
157.06494	3.7
157.10130	26.0
158.07253	2.9
158.10828	2.6
159.08057	19.2
159.11684	15.2
160.19341	1.5
161.05991	2.2
161.09605	10.9
161.13206	2.2
163.07539	4.3
163.11148	3.4
165.05463	6.8
165.07010	6.9
165.09180	2.2
166.07672	4.0
167.07016	5.2
167.08560	16.4
168.09329	6.6
169.06479	2.0
169.10120	39.5
170.10797	3.5
171.08037	6.7
171.11688	35.4
173.09602	10.8
173.13249	16.9
175.07579	4.1
175.11148	3.7
175.14850	1.8
177.05536	1.8
177.09106	3.2
178.07814	3.8
179.07091	2.1
179.08557	14.9
179.10634	1.8
180.09335	5.7
181.06442	2.4
181.10112	22.4
182.10799	6.8
183.06561	3.7
183.08038	4.7
183.11674	23.4
184.12445	3.3
185.09589	9.4
185.13200	17.9
187.07556	3.3
187.11133	4.7
187.14827	13.2
189.09105	3.3
191.06975	2.3
191.08539	4.5
191.10675	2.5
192.09288	7.9
193.08530	2.9
193.10129	17.0
194.10847	6.0
195.07996	2.0
195.11668	22.4
196.12379	4.1
197.09598	6.3
197.13242	13.0
198.13930	2.1
199.07413	3.2
199.11148	5.8
199.14815	7.7
201.09077	3.6
201.12730	4.3
201.16373	2.5
202.07787	2.4
203.08633	4.2
204.09297	4.7
205.08536	4.1
205.10150	9.2
206.10933	8.8
207.10155	2.0
207.11740	16.4
208.12433	5.0
209.09673	4.8
209.13239	23.9
210.14006	5.4
211.11162	6.0
211.14755	9.6
212.15640	2.0
213.12730	4.1
213.16287	1.7
215.10684	2.7
216.09413	2.0
217.08400	3.3
217.10139	5.0
218.10835	6.9
219.11761	13.3
220.12352	9.5
221.09840	1.8
221.13293	22.7
222.10298	2.0
222.13879	4.3
223.11099	4.8
223.14815	17.9
224.15349	2.4
225.12839	8.0
225.16380	7.0
227.14207	2.2
229.10162	3.3
230.10901	4.6
231.11749	8.7
232.12480	5.5
233.09613	3.8
233.13269	15.0
234.13971	4.2
235.11290	2.9
235.14780	17.3
236.15540	3.3
237.12900	8.4
237.16348	13.3
238.17052	2.0
239.10542	2.6
239.14276	4.3
239.17867	3.0
241.15918	1.7
243.11711	2.4
244.12282	3.0
245.13264	8.8
246.10342	2.9
246.14038	6.2
247.11246	3.3
247.14838	12.6
248.15428	3.1
249.12799	8.7
249.16376	11.3
250.13580	1.7
250.16963	2.7
251.14259	20.9
251.17914	6.6
252.14952	4.4
253.13150	2.6
253.15834	19.6
257.13290	2.8
259.11142	2.1
259.14764	4.7
260.15610	2.6
261.12674	6.0
261.16379	7.1
262.13239	2.1
263.14355	14.5
263.17856	9.6
264.15012	6.9
265.15924	14.1
265.19299	8.4
266.16660	2.0
267.17307	4.3
271.14926	2.5
273.12491	3.1
273.16296	3.3
275.14328	4.8
275.17935	8.0
276.18707	4.2
277.15781	7.5
277.19479	4.2
278.16327	2.7
279.14157	2.9
279.17404	18.7
280.18082	11.6
281.11841	3.3
281.15427	4.8
281.18985	37.9
282.19400	2.2
287.14481	2.3
287.17905	4.4
289.15921	2.3
291.14294	2.0
291.17429	8.4
292.18219	5.3
293.15369	8.8
293.18954	36.2
294.19653	6.9
295.17032	3.2
295.20340	3.7
297.14969	2.4
297.18954	1.8
303.14044	3.0
303.17316	3.3
304.18079	2.0
305.15622	2.3
305.18808	7.7
307.20319	2.5
309.14981	2.9
309.18433	8.9
311.16483	7.2
311.20004	77.7
312.20670	9.4
313.18115	2.8
315.17371	4.7
319.16901	2.2
321.14905	2.8
321.18491	6.2
323.20010	6.5
325.21484	3.5
327.15710	2.5
331.16934	2.7
333.18457	7.5
335.16348	1.7
339.15927	1.9
339.19455	15.2
340.19495	1.8
341.21085	4.5
351.19360	11.7
357.20712	16.6
367.18942	2.4
369.20706	16.5
370.20349	2.4
371.20358	2.0
379.22946	1.7
387.21637	86.3
388.21799	4.1
389.21002	4.8
391.22745	3.5
401.21344	3.8
403.22812	2.7
405.20667	3.1
407.22162	100.0
408.22501	6.7
409.23709	6.4
415.21268	3.0
419.22226	55.8
420.22479	5.1
421.23505	5.4
423.21347	2.4
431.22403	7.8
434.39008	1.9
435.17773	4.0
437.23328	62.4
438.23969	30.3
439.24921	2.7
441.21237	2.5
441.29852	1.9
447.21573	6.4
449.23395	12.2
451.24704	2.7
453.18936	5.2
455.20520	3.3
459.21964	3.2
459.30209	1.9
465.22614	7.6
467.24707	2.2
477.22610	5.0
477.31647	1.8
483.23801	25.4
484.23685	2.1
495.23581	8.6
513.25000	55.8
514.25879	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
55.05510	2.7
57.03431	1.1
57.07077	1.0
65.03947	0.9
67.05498	5.0
69.03438	4.2
69.07082	2.8
69.22428	0.8
70.49921	2.4
71.05022	1.5
73.29980	0.8
79.05505	5.1
81.03413	1.2
81.06585	1.4
81.07057	18.1
82.07380	1.1
83.04982	3.5
83.08617	1.3
85.06549	1.7
86.66666	0.8
90.82951	0.8
91.05477	8.3
93.07037	6.9
95.04982	3.5
95.08614	5.0
97.02895	3.5
97.06536	2.4
98.23366	0.9
99.04442	4.1
103.14713	0.8
105.07040	10.7
105.39413	1.0
107.08610	6.1
109.06532	23.6
109.10163	1.9
111.04460	3.2
111.08098	1.2
115.05444	1.9
116.48641	0.8
117.07031	5.2
119.08570	8.5
121.06518	2.6
121.10134	2.3
123.08083	3.9
125.06038	1.2
127.03866	0.8
128.06219	2.9
129.07018	5.3
130.07823	0.9
131.08556	6.3
133.06516	2.7
133.10176	4.3
135.08054	3.7
135.11679	1.4
137.05975	24.3
137.09628	2.3
139.07536	2.6
141.06990	2.7
142.07802	2.7
143.08546	10.1
145.06485	2.6
145.10123	12.6
146.07286	1.0
147.08049	5.3
147.11714	3.6
149.09644	3.8
153.05492	8.2
153.06964	2.4
154.07745	2.3
155.08551	28.6
155.09831	1.4
156.09196	1.1
157.10124	9.6
158.07298	1.0
158.10410	1.0
159.08054	5.4
159.11646	3.9
161.09615	3.9
163.07545	1.2
163.11266	1.6
165.07018	1.6
165.09084	1.5
166.07803	2.3
167.07285	1.1
167.08527	4.4
168.09334	2.3
169.10146	12.7
171.08044	6.3
171.11668	4.8
172.08817	1.0
173.09627	24.9
173.13327	2.1
174.10280	1.2
175.07562	1.8
175.11220	2.9
177.09157	1.0
179.08516	2.7
180.09262	1.3
181.06470	1.1
181.10170	5.1
182.10904	1.8
183.08096	1.9
183.11705	4.4
185.09680	6.1
185.13280	2.4
186.10405	1.1
187.11134	5.0
189.09229	2.1
189.12720	1.5
192.09308	1.4
193.08574	1.0
193.10039	4.1
194.10915	1.4
195.08009	2.2
195.11726	4.3
197.09651	3.7
197.13274	3.6
199.11179	2.4
199.14957	1.3
201.12711	1.8
203.10675	1.8
204.09364	1.1
205.10127	2.6
205.12181	0.8
206.10985	2.1
207.10017	1.3
207.11775	4.0
208.12474	1.2
209.09659	2.3
209.13243	4.6
211.11192	3.7
211.14876	1.4
213.09113	2.5
213.12775	2.2
215.10649	2.0
217.10233	1.1
218.10876	1.4
219.11714	2.6
219.50139	0.9
220.12430	1.6
221.09613	1.9
221.13167	4.1
223.11325	2.1
223.14857	2.8
225.09023	1.5
225.12758	2.9
227.14349	2.3
229.12247	1.1
231.11929	1.2
232.12419	1.2
233.09706	1.6
233.13342	2.1
234.13873	1.0
235.11282	1.5
235.14825	4.3
236.11835	1.2
237.12735	2.5
237.16408	1.6
239.14384	2.5
241.15903	1.3
243.11595	1.2
243.13835	1.0
245.13396	1.5
247.11049	1.0
247.14854	2.3
249.11032	6.8
251.14366	2.4
253.12198	1.7
253.15970	2.0
255.13898	1.9
259.15018	1.4
261.12891	1.5
261.16397	1.1
263.14429	3.9
264.15109	1.0
265.15985	2.0
267.13779	1.1
274.13382	1.0
275.14493	1.8
275.17966	2.5
277.15881	2.0
279.17294	1.8
281.15405	1.9
293.15497	1.7
293.18964	1.8
297.18469	1.0
305.15359	1.2
309.14948	1.6
309.18491	2.0
311.20047	1.3
321.14844	1.4
321.18552	1.8
323.20068	1.2
333.18427	1.3
341.17508	1.4
351.19592	1.9
383.22351	1.1
391.22614	1.2
395.18365	1.3
397.10855	0.8
409.23828	1.5
419.22223	6.8
421.23752	2.6
431.21875	2.4
433.23523	1.1
435.21811	2.4
437.23245	100.0
438.23648	7.0
449.23087	6.9
451.24667	2.7
459.21140	1.1
467.24515	6.2
469.25894	2.7
477.21973	4.9
495.23837	3.3
513.24677	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44724	3.1
53.03951	4.4
55.05501	12.0
55.05738	2.9
57.03439	4.0
59.04992	4.2
66.35879	2.9
67.05513	16.4
69.03421	10.5
69.07065	7.9
70.20826	6.6
70.21190	6.4
71.01351	3.0
79.05492	23.4
81.03389	4.9
81.07052	54.5
83.04973	13.6
83.80708	2.6
85.02885	5.9
91.05497	22.0
93.07028	26.8
95.04973	18.6
95.08610	32.1
97.02882	8.3
97.06532	6.5
99.04456	9.1
105.07035	34.9
107.04904	3.3
107.08590	31.1
109.06535	25.5
109.10138	9.0
111.04442	3.3
111.08076	11.3
115.05467	4.9
117.07034	10.8
119.04943	3.9
119.08591	33.6
121.06520	9.8
121.10155	12.9
123.04424	3.7
123.08066	16.9
125.05932	3.6
125.09528	2.9
128.06226	7.9
129.07024	14.1
130.07750	4.5
131.08572	25.6
133.06483	10.6
133.10136	28.3
135.08040	14.6
137.05981	58.8
137.09622	5.3
141.06993	8.2
142.07776	11.9
143.08531	21.6
145.06476	11.5
145.10118	26.4
147.08043	18.2
147.11653	13.0
149.09619	10.4
151.07587	4.0
151.11151	3.0
153.05461	5.6
154.07722	4.2
155.08574	18.4
156.09290	5.1
157.06500	4.0
157.10124	30.5
159.08052	16.4
159.11641	16.7
161.05923	4.2
161.09625	17.4
161.13193	4.2
163.07558	4.1
163.83676	2.9
165.07004	7.3
165.09151	3.7
166.07755	3.4
167.08565	10.5
168.09331	6.5
169.10136	22.6
171.08098	7.0
171.11679	17.3
173.09627	23.8
173.13316	3.9
175.07576	4.9
175.11218	17.5
177.09157	6.1
179.08578	11.3
179.10388	2.9
180.09230	4.6
181.10152	17.9
182.10825	3.6
183.08049	6.3
183.11751	15.8
185.09627	12.5
185.13268	9.4
187.07582	3.7
187.11191	14.8
187.14722	4.3
188.11823	4.3
189.09074	6.2
189.12744	6.8
191.10608	4.4
192.09346	7.1
193.10101	11.2
194.10890	5.2
195.08006	4.1
195.11694	19.7
196.08769	3.8
196.12408	4.2
197.09618	12.4
197.13248	12.1
199.11171	13.5
201.12715	9.4
203.10648	5.9
205.10147	6.5
206.10797	4.0
207.10034	3.2
207.11728	12.0
209.09732	14.8
209.13257	10.1
210.10274	4.3
210.14066	5.5
211.11180	10.0
211.14796	8.8
213.12724	9.6
215.10683	5.3
215.14128	3.0
217.10181	4.7
217.12138	5.1
219.11632	9.3
219.13829	3.1
220.12459	3.4
221.09726	4.6
221.11496	7.5
221.13287	10.3
223.11208	5.3
223.14774	6.9
225.12689	7.0
227.14333	5.6
229.12134	3.9
233.13284	7.9
235.11147	7.2
235.14838	8.7
237.12691	11.5
237.16403	5.5
239.14296	8.6
240.14842	3.8
241.15775	3.9
243.13841	6.0
247.14812	8.0
249.16312	5.1
251.14389	6.8
253.15852	6.8
255.13808	4.9
257.15359	22.6
260.15488	3.5
261.12708	3.9
263.14319	9.9
265.12003	4.5
265.15924	4.8
269.15356	3.7
271.16992	3.8
275.17801	4.1
277.15720	4.3
281.15335	4.0
287.16452	3.9
291.17496	6.4
293.19070	5.4
295.17035	4.4
297.15085	4.7
303.17349	3.2
311.19946	6.4
321.18503	5.9
335.19754	3.4
339.19580	4.9
353.06180	3.6
371.22083	4.0
391.22620	5.5
407.22012	4.9
409.23746	7.1
417.20468	5.6
419.22015	8.6
431.21671	3.4
433.23511	5.3
435.21326	5.0
437.23270	100.0
438.23663	11.4
441.24631	3.4
449.23141	9.1
451.24359	8.2
453.26938	6.0
459.21033	5.1
460.25284	3.5
467.24182	20.1
469.29782	18.8
477.22559	9.4
495.23367	3.6
513.24353	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2854
Annotation	Elegain
Peak:m/z	Relative Intensity
52.08219	10.8
55.05511	80.1
66.33586	10.2
66.91923	10.8
67.05493	57.3
69.03410	12.4
69.07044	25.8
69.13660	39.2
69.14082	68.3
71.05000	12.5
79.05500	38.1
81.03419	14.4
81.07060	52.4
83.04972	96.7
83.08614	12.5
85.02849	11.5
91.05453	55.8
93.07050	65.3
94.07323	11.6
95.04976	28.1
95.08610	89.2
97.06526	15.0
99.04440	19.4
103.05525	13.4
105.07027	52.7
107.08598	38.9
109.06525	28.3
109.10171	25.6
109.44064	10.6
111.04421	14.2
111.08075	30.8
117.06994	17.3
117.97396	10.5
119.08598	87.8
121.06515	17.7
121.10128	27.9
123.08060	32.1
127.53291	9.9
129.07008	22.7
131.08549	53.2
133.10150	34.1
135.08060	24.7
137.05904	14.4
139.07576	18.6
141.06990	22.7
142.07745	21.6
143.08545	49.3
145.06520	11.7
145.10127	46.5
147.08058	29.2
147.11674	29.7
149.41722	11.6
153.39485	11.1
155.08559	37.0
156.09363	28.4
157.10181	69.3
159.08051	17.1
159.11673	33.7
161.09636	35.8
161.13222	23.3
167.08519	22.8
169.10117	43.9
171.11682	45.9
173.09595	29.0
175.11191	15.3
176.67427	12.0
179.08498	14.1
181.10114	34.8
183.11740	31.5
185.09650	26.3
185.13264	28.9
187.11165	28.3
192.09393	15.6
193.10170	32.4
194.10823	17.9
195.11690	37.7
197.09651	22.2
197.13242	35.3
199.11255	23.8
199.14935	11.7
201.09048	12.8
201.12640	14.1
207.11636	26.1
209.13261	26.0
211.11095	19.9
212.11803	13.2
213.12836	21.3
221.13248	38.8
223.14850	24.1
227.14310	22.9
233.13118	17.3
235.14975	16.7
235.91325	12.3
237.12764	20.3
239.14204	21.1
245.15536	14.3
249.16380	15.4
251.14383	15.7
255.13676	17.5
261.16431	12.8
265.15991	17.6
291.17520	19.7
297.04153	22.5
297.07410	11.9
313.07132	20.9
321.18301	14.6
325.17642	11.8
327.19577	20.2
345.20496	13.9
385.12836	17.9
421.26663	14.9
431.25735	42.4
433.27191	32.2
435.25113	17.1
449.26901	24.5
451.28430	32.4
453.26157	20.4
459.25275	30.8
461.26831	35.9
477.26184	100.0
478.26712	33.1
485.28717	16.5
495.27078	47.1
513.28497	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2845
Annotation	Ganoderic acid E
Peak:m/z	Relative Intensity
51.09262	18.4
61.01190	16.4
69.36180	99.2
69.36590	34.8
79.65830	18.2
81.03413	20.4
83.04987	48.6
91.81056	15.3
95.08589	31.1
98.22589	36.3
107.08575	18.6
119.08559	46.7
133.10152	29.4
137.06038	17.8
139.07568	18.7
155.08580	25.8
159.11708	20.0
168.54497	17.9
169.10240	24.8
171.11745	23.8
173.09637	30.0
181.13803	20.6
187.11253	20.5
197.09608	29.1
327.17557	22.2
408.92255	17.2
413.24585	22.8
441.24100	83.8
459.25235	100.0
477.26511	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2848
Annotation	Elegain
Peak:m/z	Relative Intensity
54.70721	2.5
55.05511	30.5
57.03439	3.1
59.04998	3.7
65.03962	4.0
67.05508	27.4
69.03436	4.4
69.05396	16.3
69.05815	10.2
69.07050	11.3
79.05491	12.6
81.07053	29.1
83.04980	41.0
83.08614	4.1
85.06506	3.8
91.05471	26.4
93.07044	32.8
95.04977	14.4
95.08607	61.9
97.06533	9.1
99.04448	3.0
105.07024	38.3
107.04954	3.4
107.08592	28.5
109.06505	16.6
109.10137	13.5
111.04427	14.6
111.08078	13.0
115.05492	4.3
117.07020	8.6
119.04937	2.9
119.08584	34.3
121.06502	13.2
121.10126	13.2
123.08076	43.0
125.05978	4.7
125.09643	15.9
128.06218	4.7
129.06996	11.9
131.08568	19.4
133.06534	4.9
133.10117	21.9
135.08072	14.2
135.11696	8.5
137.05956	13.7
137.09612	3.4
137.54204	2.7
139.07521	16.7
141.06984	7.7
141.09045	4.6
142.07755	7.1
143.08554	22.5
145.06433	4.1
145.10130	29.3
147.08089	16.8
147.11684	10.8
149.09619	6.0
151.07538	6.9
153.05479	4.3
153.06973	3.5
154.07738	5.0
155.08557	18.3
156.09326	10.7
157.06467	6.1
157.10135	38.0
158.10970	3.4
159.08055	8.8
159.11711	30.1
160.08896	3.8
161.09583	21.1
161.13229	8.1
163.07521	6.2
163.11153	8.7
165.07010	7.3
167.07156	5.1
167.08571	9.9
168.09219	5.1
169.08731	6.2
169.10080	28.7
170.10902	3.6
171.08058	9.7
171.11668	27.3
173.09637	13.6
173.13240	13.1
175.07503	5.7
175.11218	11.6
177.09056	3.4
179.07141	4.9
179.08575	11.5
180.09381	4.8
181.10117	18.9
182.10828	5.5
183.08076	6.9
183.11694	27.0
185.09621	10.4
185.13243	14.9
187.11172	14.9
187.14798	3.9
189.12759	12.9
191.07008	3.4
192.09358	7.9
193.08655	3.7
193.10164	18.7
194.10910	10.7
195.08165	5.1
195.10139	6.2
195.11697	31.3
196.12585	3.4
197.09656	15.0
197.13240	22.9
198.10205	3.2
198.14073	3.5
199.11191	11.3
199.14851	8.0
201.12752	9.3
205.10135	8.4
206.10841	8.1
207.11702	23.7
207.13565	5.2
208.12495	5.7
209.09599	6.3
209.13222	30.3
210.13792	2.9
211.11162	14.7
211.14842	12.0
213.09108	5.2
213.12729	10.7
215.08669	3.7
215.10654	4.0
215.14247	3.9
217.10223	4.4
219.11716	12.0
219.13692	3.4
220.12445	5.8
221.09602	4.0
221.13264	22.4
222.10298	3.4
222.13902	5.9
223.11189	11.6
223.14836	18.9
224.11938	4.3
224.15536	5.3
225.12675	13.5
225.16350	8.9
227.14279	11.6
231.11765	3.7
233.13219	12.5
234.13960	5.7
235.11230	6.9
235.14839	23.3
236.15701	4.8
237.12741	18.0
237.16345	10.6
238.13399	3.5
239.10696	3.5
239.14288	15.4
241.10532	4.8
241.15800	3.7
244.12569	3.6
245.15417	3.3
246.13956	4.5
247.14874	10.0
249.12704	5.6
249.16481	16.5
250.17133	3.7
251.10687	3.5
251.14407	8.7
251.17873	15.7
253.12263	6.0
253.15877	12.4
255.13844	4.1
257.15518	3.2
259.14923	5.4
260.15286	3.3
261.12781	5.4
261.16336	7.7
262.16931	3.6
263.10776	3.7
263.14328	7.9
263.17938	6.3
265.12189	6.1
265.15826	8.0
265.19385	3.3
267.13885	5.7
267.17355	6.3
273.16385	5.4
275.14526	3.3
275.17953	11.2
277.12561	5.4
277.15872	15.2
277.18680	3.4
279.13809	5.9
279.17365	8.0
281.18890	5.2
283.13251	3.7
291.13937	4.5
291.17487	6.3
293.15720	3.3
293.18964	14.5
295.17249	5.1
295.20395	5.4
297.07568	5.1
297.14886	7.5
305.15430	3.2
307.20566	4.1
309.14914	3.2
309.18457	4.8
311.19965	6.5
316.22247	3.3
319.16934	6.4
319.20465	6.1
323.19965	3.9
337.18042	12.8
355.18976	13.7
363.19598	3.4
373.20364	21.7
373.24707	5.7
373.48337	2.8
375.23267	3.9
377.21024	4.8
381.20737	3.3
389.24661	4.3
391.26538	17.5
399.22012	8.4
407.26086	4.3
413.24731	7.5
415.26419	13.8
417.24115	10.8
419.22116	8.9
431.25760	7.1
433.27426	100.0
434.27521	6.5
435.25357	14.4
437.23566	6.7
441.24265	8.9
449.26614	11.0
451.28467	56.4
452.28677	4.8
453.26099	3.4
459.25339	34.4
460.25937	4.6
467.27783	4.3
477.19635	5.3
477.26364	98.4
478.26654	11.8
495.27460	93.1
496.27731	8.3
513.28473	13.9
513.35504	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.8
55.01862	9.4
55.05280	9.2
55.05501	56.3
67.05511	45.0
69.03420	14.4
69.07077	10.2
70.27197	9.6
70.27509	22.6
71.04964	8.7
77.72387	8.2
79.05490	43.2
81.07056	35.5
83.04971	100.0
91.05498	59.0
93.07054	71.3
95.01339	10.4
95.04964	28.3
95.08610	77.7
97.06509	10.9
105.07024	78.1
107.04968	17.7
107.08591	43.5
109.06503	19.0
109.10183	21.0
111.04456	35.5
111.08078	26.5
115.05464	12.0
117.07011	28.0
119.08592	92.4
121.06525	33.4
121.10156	26.0
123.08090	28.5
128.06250	9.9
129.07025	33.3
131.04907	16.1
131.08571	60.2
133.06477	11.2
133.10124	50.1
135.04413	16.7
135.08055	39.5
135.11642	8.7
137.06026	11.6
139.07523	18.9
141.06958	9.8
142.07793	29.0
143.08559	51.0
145.06512	20.1
145.10085	59.4
147.08070	36.3
147.11685	35.0
151.07549	9.1
153.06902	9.8
155.08566	37.1
156.09279	23.0
157.10133	67.8
159.08028	26.7
159.11685	45.8
161.09634	25.4
163.07454	9.6
163.11108	8.9
165.07094	12.9
167.08586	28.0
168.09346	15.5
169.10139	46.6
170.10812	10.5
171.08119	15.8
171.11671	57.7
173.09656	40.0
173.13290	18.2
175.07602	10.8
175.11230	23.3
179.08620	22.2
181.10150	32.4
182.10837	15.2
183.08032	12.3
183.11662	43.2
185.09677	14.0
185.13300	25.0
187.11229	19.6
189.12781	21.1
192.09412	13.3
193.10091	20.4
194.10858	9.1
195.11740	35.0
196.12315	10.6
197.09683	19.6
197.13339	25.5
198.10353	15.3
199.11179	15.4
199.14713	9.8
201.12761	14.7
205.10191	12.5
206.10803	16.0
207.11687	36.6
208.12390	13.5
209.09636	8.7
209.13300	27.9
210.10492	14.3
211.11240	21.5
211.14807	15.7
212.11783	11.9
213.12779	27.2
219.11752	17.0
221.13281	30.5
223.11205	13.1
223.14856	30.9
225.12738	31.2
225.16481	9.8
227.14363	19.1
229.10243	9.7
232.12349	10.1
233.13239	15.8
235.11140	12.2
235.14732	18.9
237.12756	13.5
237.16524	11.7
239.14345	29.2
241.12383	12.9
245.13266	18.0
247.14877	19.3
249.16431	18.8
251.14415	13.5
253.12309	11.4
257.15588	9.0
265.12192	9.1
275.14395	9.2
275.17932	11.8
277.15594	9.8
279.17511	11.6
291.17453	20.9
293.18814	9.8
295.16986	15.8
309.18509	14.3
345.18265	12.2
403.26193	12.9
413.24609	15.4
415.26178	26.2
417.62692	9.3
421.27386	17.7
423.23001	10.5
427.17007	9.8
431.25864	31.3
433.27499	25.5
435.25092	17.9
441.24222	36.9
449.26563	11.7
451.28442	14.7
459.25217	86.9
460.25470	14.6
477.26489	87.4
478.26620	21.0
495.27548	44.1
513.28357	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	31.8
67.05511	37.2
69.03419	8.2
69.07065	12.8
69.11848	14.4
69.12251	24.7
77.37778	4.6
79.05498	24.8
81.07061	32.3
83.04984	45.8
83.08619	4.8
88.22932	6.6
91.05474	30.1
93.07054	45.4
95.04977	21.9
95.08608	67.4
97.06503	5.6
101.18737	4.4
103.05463	6.2
105.07027	46.7
107.04967	9.6
107.08595	30.8
109.02859	4.8
109.06516	11.6
109.10172	12.3
109.96931	4.8
111.04456	14.5
111.08055	13.7
117.07030	15.8
119.08587	42.5
121.06522	17.5
121.10171	22.1
123.08087	24.1
128.06221	11.2
129.07014	10.4
131.08591	30.4
133.06517	5.8
133.10129	24.5
135.08066	17.9
135.11621	7.4
137.09605	22.0
139.07544	8.1
141.06992	8.1
142.07767	10.4
143.08571	33.7
145.06462	7.2
145.10110	41.6
145.95392	4.4
147.08061	15.2
147.11687	20.0
149.09587	11.5
151.07617	5.1
153.06993	4.6
155.08572	18.1
156.09348	10.8
157.10129	42.5
159.08110	12.2
159.11725	32.0
161.06090	6.9
161.09625	17.4
161.13281	12.7
163.07523	5.3
163.11200	6.4
165.07008	5.2
167.08493	8.8
168.09383	7.8
169.10115	31.7
170.10791	6.3
171.08009	8.8
171.11713	31.0
173.09616	16.7
173.13266	16.5
175.11159	11.1
179.08569	12.0
181.10136	17.9
183.08076	13.3
183.11690	29.2
185.09615	18.5
185.13239	38.1
187.11235	18.8
187.14873	7.3
189.09204	4.7
189.12764	15.6
192.09435	6.7
193.10170	11.6
194.10873	5.1
195.11642	28.3
196.08708	7.4
196.12621	5.5
197.09641	18.4
197.13252	17.6
199.11230	14.0
199.14809	12.4
201.09169	6.2
201.12769	9.4
206.10989	7.1
207.11751	18.1
208.12358	7.2
209.09703	13.1
209.13220	23.3
210.10278	6.9
210.14014	4.2
211.11217	17.7
211.14804	19.3
213.07420	6.1
213.09286	8.5
213.12762	18.7
215.14417	5.6
219.11685	6.8
221.09367	5.7
221.13263	16.0
222.13907	6.6
223.11215	14.8
223.14851	14.8
225.09111	12.2
225.12735	15.3
225.16315	14.5
227.10649	7.5
227.14279	14.2
228.17494	4.7
229.12311	10.6
232.12468	7.6
233.13246	13.3
234.14096	6.6
235.11252	7.5
235.14790	8.3
237.12735	11.1
237.16371	8.6
239.10638	9.3
239.14314	7.0
241.12236	11.2
243.17442	5.9
246.14171	7.2
247.11203	5.9
248.15790	5.7
249.12759	6.4
249.16397	7.1
251.10667	5.2
251.14403	14.2
251.17982	5.7
253.12164	11.2
253.15964	6.1
263.14359	9.0
263.17975	5.8
265.12265	8.6
265.15845	8.3
267.14023	5.2
267.17349	13.0
268.70282	4.7
272.15198	6.1
277.15808	9.1
279.13730	13.1
279.17227	5.1
283.17117	6.4
285.18524	7.5
290.74341	4.8
291.17352	9.0
293.15656	9.6
293.19025	8.0
295.16910	8.4
297.15076	5.6
297.18524	7.0
297.90543	5.7
305.15436	4.8
309.18466	6.3
313.06979	6.5
319.16855	11.1
321.18460	7.0
323.16617	5.9
327.19482	7.4
337.17984	9.0
339.19522	7.3
363.19681	8.4
365.24963	23.9
383.25754	52.6
384.26035	7.3
389.24982	7.1
391.22751	6.6
401.21115	13.4
407.26010	22.5
417.24329	12.3
419.22049	89.5
420.22510	7.8
431.25858	9.1
433.27835	11.0
435.25150	43.4
437.23181	46.1
441.24249	13.6
451.28500	6.5
453.26407	38.9
455.24478	9.9
459.25494	32.3
460.25531	10.9
461.26770	21.0
477.26376	100.0
478.26566	10.7
479.28375	30.0
495.27417	50.6
497.25296	6.5
513.28082	8.4
513.35315	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	14.4
55.01859	7.5
55.05509	13.8
57.03429	11.8
57.07060	4.1
65.03951	8.2
67.05509	32.6
69.03448	20.8
69.07066	22.5
69.13683	19.8
69.14084	9.1
71.04993	7.4
73.02918	7.9
79.05493	54.6
81.03400	21.4
81.07056	100.0
83.04967	20.9
83.08616	10.9
83.82384	4.1
85.02929	8.4
85.06554	15.6
91.05477	56.8
93.07050	61.7
94.07367	4.5
95.04970	22.1
95.08608	34.6
97.02895	8.8
97.06522	12.6
99.04476	12.7
103.05455	9.5
105.07034	79.9
107.04965	9.8
107.08599	64.6
109.02876	17.5
109.06525	44.8
109.10140	24.4
111.04435	15.0
111.08075	19.0
111.63709	4.0
112.79395	4.5
115.05446	8.6
117.07007	29.1
119.04951	6.8
119.08585	54.7
119.21122	4.5
119.21928	4.5
121.06509	19.2
121.10164	29.2
123.04460	5.4
123.08070	19.3
123.11720	8.3
125.05972	9.6
125.09616	9.5
127.03873	7.1
128.06232	12.7
129.07028	23.7
131.08572	45.8
133.06499	10.6
133.10132	45.3
135.08051	31.4
135.11690	22.5
137.05975	77.9
137.09669	10.2
139.07542	10.8
141.06995	18.1
142.07756	11.2
143.08551	42.5
145.06462	13.1
145.10129	55.0
147.08057	18.3
147.11681	21.0
149.05936	6.3
149.09592	26.2
149.13235	4.7
151.07545	15.1
151.11182	10.9
152.07898	5.2
153.01912	5.4
153.05499	10.3
153.06963	4.2
155.08543	22.0
156.09319	15.3
157.10133	37.5
158.10857	5.0
159.08069	32.5
159.11668	27.0
161.09616	34.4
161.13229	10.0
163.07584	6.6
163.11159	10.1
165.05591	5.7
165.06929	8.6
165.09091	5.8
166.07817	5.7
167.07037	20.7
167.08566	19.0
168.09343	8.3
169.10115	39.7
170.10883	6.5
171.08061	10.3
171.11710	38.1
173.09647	21.8
173.13274	8.5
175.07588	7.4
175.11235	20.1
177.09093	30.1
179.08589	11.0
179.10672	5.5
180.09280	8.0
181.08701	7.3
181.10030	20.3
182.10933	13.0
183.08104	9.2
183.11710	23.5
184.12163	6.1
185.09654	14.0
185.13304	14.2
187.07588	7.6
187.11192	31.0
189.09193	10.3
189.12782	12.1
191.10678	11.8
192.09328	5.6
193.10205	12.4
193.12192	6.8
193.87253	4.8
194.10843	5.1
195.08286	9.2
195.10181	61.0
195.11748	21.5
196.12358	6.3
197.09624	13.8
197.13287	46.6
199.11186	17.1
199.14865	7.8
201.09184	11.2
201.12752	10.6
201.16455	5.2
203.10616	12.5
203.17978	6.0
205.10175	8.7
205.12148	6.1
206.10925	5.0
207.11726	18.0
208.12506	5.8
209.09738	9.3
209.13290	19.9
211.11154	12.1
211.14879	7.4
213.12785	13.1
215.10672	9.6
215.14265	5.1
217.12166	9.3
218.10895	7.4
219.10129	13.7
219.11937	5.0
220.12375	7.4
221.13242	12.9
223.11212	10.5
223.14816	8.3
225.12741	16.6
227.10718	6.3
227.14307	10.5
228.15039	6.7
229.12296	5.1
232.12404	4.5
233.13358	6.3
234.13962	4.4
235.14769	10.8
237.12820	8.1
237.16190	5.4
239.14371	8.7
243.13835	38.5
245.15488	6.6
247.14818	8.9
249.12724	6.7
251.10553	8.1
255.13899	7.9
259.14899	5.9
263.14343	6.6
265.15961	5.7
267.13766	10.2
275.17972	4.9
279.13840	7.4
279.17078	4.5
281.15326	13.1
283.13303	4.5
283.17102	5.5
297.18466	7.8
303.16125	9.9
307.16907	6.3
321.18460	6.3
323.16617	6.6
325.18115	28.9
327.19403	5.7
343.19144	19.7
345.20554	17.8
349.21390	5.0
375.25443	5.9
419.22485	9.1
423.22113	9.4
431.25702	8.5
437.23068	14.3
441.24612	7.8
441.30023	5.8
453.23041	6.4
459.25098	17.3
459.31219	10.6
477.19940	7.0
477.26181	31.3
495.16266	10.5
495.27591	9.2
513.24207	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37989	11.2
55.05521	21.7
59.15955	10.3
67.05500	30.0
69.75577	56.2
79.05482	20.8
81.07056	26.2
83.04982	32.8
84.59757	11.0
91.05476	32.5
93.07043	47.1
95.04961	13.8
95.08606	57.6
97.93446	12.7
105.07034	48.0
107.08604	27.0
109.06493	13.4
109.10122	16.7
111.04379	13.1
111.08102	27.9
119.08573	47.5
121.06499	13.2
123.08049	18.9
126.08423	10.6
129.07039	16.5
131.08600	24.9
133.10149	16.0
139.07559	17.1
142.07774	16.6
143.08557	31.4
145.10123	28.5
147.07951	13.3
155.08551	34.6
157.10156	30.1
159.08015	15.6
159.11722	20.2
165.07057	12.1
169.10141	27.4
173.13409	12.7
175.11151	12.3
179.08536	21.6
181.10110	30.3
183.11760	22.5
185.09627	30.4
187.11142	18.5
189.12708	13.6
193.10127	24.6
194.10873	12.6
195.11678	23.6
204.77188	10.9
205.10187	15.8
205.12172	12.9
206.10846	12.4
207.11797	31.6
209.13258	31.4
211.11105	12.9
217.10275	11.2
219.11711	35.9
221.13278	32.4
223.11113	15.6
233.13277	25.6
235.14777	13.3
237.12794	31.0
239.14108	11.2
245.13144	16.1
249.12849	15.7
249.16434	22.7
251.14268	14.0
259.14743	15.9
261.16324	23.0
263.17999	13.0
273.16489	14.2
273.37421	12.2
277.16086	13.7
291.17249	12.1
321.18530	15.3
431.25940	100.0
433.27502	17.5
443.26276	15.5
449.26837	38.3
459.25140	48.1
461.26752	79.3
477.26614	52.9
485.28900	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2852
Annotation	Seemarin
Peak:m/z	Relative Intensity
52.19710	10.2
54.47632	11.4
55.01876	19.3
55.05504	36.1
67.05504	37.2
69.03258	100.0
69.07058	17.6
72.73469	9.7
74.78948	9.6
79.05486	47.3
81.03416	15.5
81.07056	86.8
83.04994	65.6
85.02915	18.3
90.89600	13.5
91.05502	55.2
93.07037	80.4
95.04981	29.5
95.08610	87.6
98.22646	22.6
105.07018	68.9
107.08599	59.9
109.06522	36.9
109.10165	30.6
111.04476	27.7
111.08063	23.9
111.28194	11.9
117.07001	23.3
119.08583	61.6
121.06491	26.0
121.10158	24.6
123.08080	31.2
123.11709	18.1
128.06261	17.3
129.07025	16.5
131.08551	31.3
133.10085	55.1
135.08072	21.3
135.11638	13.5
136.08360	11.5
137.05988	34.6
139.07489	23.9
142.07806	12.9
143.08551	39.0
145.06473	25.3
145.10185	35.1
147.08047	25.1
147.11737	17.1
149.09616	38.1
153.10165	10.5
155.08556	37.6
156.09100	11.2
157.06584	12.3
157.10182	26.9
159.08069	21.2
159.11708	27.5
160.35773	11.3
161.09627	23.2
169.10123	35.4
170.10576	12.2
171.08009	15.9
171.11655	29.7
173.09641	28.8
175.11166	14.1
179.08514	19.0
180.09769	11.7
181.10144	23.4
183.11629	23.5
184.12071	11.5
185.09659	16.4
185.13278	14.8
187.11160	31.0
189.12646	16.5
193.10202	17.0
195.08113	15.6
195.11708	26.8
197.09636	29.6
197.13283	27.5
207.11658	25.2
209.09668	14.6
209.13274	21.9
211.11276	13.7
211.14801	22.8
215.10724	14.4
217.12244	14.9
219.11694	15.6
223.14714	14.1
224.11823	15.9
225.12842	13.4
227.14519	14.2
233.09645	12.8
235.11220	19.9
237.12787	13.1
243.11635	16.3
245.13170	17.1
247.14931	12.2
249.12654	13.2
251.14323	12.1
261.12836	12.2
265.99283	11.7
279.13889	13.5
321.18494	16.5
339.20181	11.6
343.19901	12.8
350.76398	11.1
414.25214	17.5
416.26880	16.3
417.24310	18.1
431.21313	13.5
435.25107	19.4
441.24384	19.3
442.24576	50.2
459.25320	29.5
460.25507	46.3
477.26688	23.6
478.26169	13.3
513.28125	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2847
Annotation	Caruifolin C
Peak:m/z	Relative Intensity
55.05515	23.2
61.27322	11.7
66.09169	12.4
67.05504	44.9
69.98940	23.8
69.99288	38.6
79.05505	31.8
81.07058	65.0
83.04991	38.9
91.05495	40.2
93.07049	49.5
95.08605	100.0
96.02111	11.7
98.22660	13.0
105.07030	93.3
107.08619	34.2
111.04479	19.9
111.08101	24.3
117.07053	19.0
119.08570	71.3
121.06522	18.1
123.08097	29.8
128.06183	15.9
129.07036	21.4
131.08539	29.9
133.10158	37.4
135.08075	17.7
137.05968	43.9
142.07799	18.5
143.08583	38.8
144.09343	14.9
145.06497	13.8
145.10173	38.9
147.07962	26.1
147.11682	22.4
148.17094	14.4
151.07458	26.9
157.10130	58.9
159.08127	15.7
159.11647	35.8
161.09595	16.3
167.08571	19.8
169.10188	35.2
171.08087	17.8
173.09616	19.2
181.10237	17.4
183.11700	26.2
185.13338	15.7
187.11200	18.1
195.08231	15.0
195.11752	25.6
201.12854	19.6
203.10533	14.7
207.11835	20.2
209.13257	25.3
220.12524	12.2
221.13344	16.1
239.14400	16.7
265.12262	15.1
267.13943	14.9
307.45163	13.3
321.18463	19.0
334.68231	20.1
401.24872	28.3
432.82443	13.3
443.25958	35.3
461.26971	39.6
513.28357	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.285
Annotation	Physacoztolide E
Peak:m/z	Relative Intensity
55.05516	50.5
56.42932	9.8
66.88062	11.1
67.05508	59.7
69.03390	10.5
69.07066	24.9
70.25465	38.6
70.25801	11.4
79.05480	25.3
81.07042	54.0
83.04967	96.0
91.05470	53.9
93.07034	78.5
93.82653	12.5
95.04977	17.6
95.08604	100.0
97.06509	14.2
98.22757	13.2
99.04451	11.1
105.07042	92.7
107.08604	64.1
109.06499	22.5
109.10155	33.8
111.04444	34.7
111.08079	36.1
117.07044	30.7
119.08608	70.6
119.09312	11.1
121.06512	34.4
121.10143	30.5
123.08079	40.9
128.06244	13.5
129.07011	27.2
131.08551	47.3
131.09468	11.2
133.06451	13.7
133.10101	42.0
135.08041	32.0
135.11740	17.4
137.05975	14.0
139.07565	21.6
141.07005	22.7
141.09074	13.4
142.07759	15.8
143.08577	55.8
145.06523	12.5
145.10085	59.0
147.08028	29.2
147.11694	19.1
149.09584	26.8
155.08542	30.7
156.09296	17.0
157.10146	72.3
159.08112	42.3
159.11719	45.1
161.09660	64.7
165.06992	17.0
166.07712	13.9
167.08572	14.5
169.10152	52.3
170.10776	13.2
171.07983	13.9
171.11693	59.3
173.09579	38.7
173.13293	12.1
175.11232	18.0
177.09085	16.5
178.07835	12.2
179.08548	34.1
181.10138	37.4
183.11729	42.7
185.09622	27.1
185.13289	15.3
187.11182	36.8
192.09410	16.4
193.10126	32.4
194.10864	14.1
195.11687	44.6
197.13229	40.9
198.14037	11.1
199.11189	25.8
201.12695	18.1
205.10136	21.9
206.10837	18.6
207.11691	39.0
208.12444	12.0
209.09633	19.7
209.13274	47.7
211.11266	16.2
211.14832	19.2
213.12750	18.1
219.11815	19.6
221.13278	21.2
223.14732	17.1
225.12695	25.1
225.16449	13.9
227.10689	12.3
227.14236	15.9
233.13318	17.2
235.11172	14.1
235.14803	26.4
237.12714	21.7
239.14043	11.7
241.12375	11.2
241.15887	20.5
247.14816	16.5
249.16373	15.1
251.10837	19.5
251.14406	16.5
251.18088	10.4
259.14807	16.8
261.16342	12.4
263.14151	13.2
265.15759	16.1
267.13815	14.7
267.17316	13.4
279.17261	14.2
283.17041	15.3
295.17282	13.6
323.19971	22.9
325.17911	23.8
343.19107	34.6
367.22525	14.5
389.24481	19.7
405.23758	16.9
407.25854	56.0
417.24258	42.3
431.25781	16.7
433.27637	16.1
435.25424	57.0
441.23770	19.6
450.26886	14.3
451.28271	13.1
453.26279	85.9
459.25198	53.0
461.26944	27.6
477.26306	78.1
479.27893	15.6
483.15228	12.8
495.27411	77.8
513.28436	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16301	3.4
53.03948	4.7
55.01884	4.2
55.05513	10.6
57.03436	4.5
57.07077	3.0
59.37407	2.7
65.03935	3.3
65.72689	3.0
67.05505	21.2
69.03432	12.1
69.07062	10.6
71.04991	11.2
71.30865	6.3
79.05491	28.6
81.03429	5.0
81.07054	100.0
83.04983	30.5
83.08607	4.2
84.92237	3.0
85.02905	14.8
85.06548	5.3
91.05467	31.5
93.07053	30.1
95.04964	12.4
95.08623	36.5
97.06517	6.4
99.04467	3.0
103.05478	4.3
105.07027	26.9
107.08575	14.4
107.71472	3.0
109.06528	35.8
109.10157	11.7
111.04450	17.8
111.08078	11.9
117.07034	13.1
119.08593	30.6
121.06486	13.0
121.10178	11.6
123.08057	14.3
123.11681	3.0
125.09600	3.3
128.06221	8.1
129.05475	4.5
129.06984	16.6
131.08536	15.6
133.06526	4.2
133.10150	10.9
135.08054	9.7
135.11707	4.6
137.05977	76.1
137.09549	3.1
139.07559	9.6
141.06972	6.4
142.07788	9.3
143.08554	22.1
145.06509	6.3
145.10127	15.9
147.06451	4.7
147.08064	9.2
147.11641	6.1
149.06010	3.8
149.09668	5.8
151.07541	7.8
155.08536	23.5
156.09344	5.0
157.10074	18.5
159.08060	9.8
159.11725	10.1
161.09610	8.4
165.05565	4.9
165.06998	7.8
167.08556	8.1
168.09273	3.6
169.10162	23.8
171.08017	6.8
171.11726	13.2
173.09633	12.1
173.13293	4.2
175.07607	3.9
175.11172	7.9
177.09041	5.2
179.08607	8.7
180.09242	4.5
181.10178	13.3
182.10805	5.8
183.11702	16.2
185.09619	8.0
185.13181	5.3
187.11197	7.2
191.08592	4.4
191.74722	4.0
192.09409	4.9
193.10097	15.3
194.10802	4.8
195.10057	3.4
195.11711	15.0
197.09663	8.6
197.13307	7.1
199.11185	5.5
199.14851	4.3
201.12762	4.6
204.09416	4.1
205.10103	7.3
206.10904	7.9
207.11710	17.8
208.12404	5.8
209.09584	9.1
209.13298	13.9
211.11250	7.7
213.12772	6.8
217.10063	7.2
218.10919	6.4
219.08031	4.3
219.11752	15.5
219.13692	4.3
220.12460	6.2
221.13234	14.5
223.11266	8.0
223.14868	8.9
225.12773	14.7
231.11736	12.4
233.09715	4.0
233.13303	13.2
234.10458	5.4
234.13776	4.0
235.11008	5.9
235.14897	9.1
236.11929	3.6
237.09129	7.1
237.12776	3.9
239.14316	6.2
243.11723	7.1
244.12593	5.4
245.13223	12.4
246.14079	5.1
247.11282	3.7
247.14801	10.1
248.11838	3.6
249.12726	9.5
249.16446	6.9
251.14429	8.8
253.15913	4.8
257.13147	10.0
257.15488	4.5
258.13943	5.4
259.14877	9.9
260.15533	6.0
261.12802	8.7
261.16415	8.4
263.14420	5.9
271.14938	4.5
273.12814	3.7
273.16180	6.2
275.14386	5.4
275.17752	6.5
277.15833	9.4
279.13916	6.6
279.17487	3.2
280.10953	9.5
285.16379	6.1
287.17850	4.4
293.15536	4.6
295.13589	4.1
301.15909	4.2
303.14084	3.9
303.17377	6.6
319.16727	6.2
321.18582	7.7
343.17252	4.6
345.18442	6.1
360.21005	4.9
373.21619	5.3
389.17694	5.5
395.23651	4.0
399.23428	4.2
407.18744	5.6
413.24902	8.8
415.26370	8.7
417.16904	37.6
417.24280	9.4
418.17307	4.8
419.22107	4.2
431.26019	9.7
433.27557	13.2
435.18030	4.9
435.25284	10.1
437.23154	7.0
441.24280	14.0
449.26880	4.5
451.28543	17.4
453.19223	16.0
453.25693	4.0
459.25418	37.1
459.31198	7.0
477.26526	34.7
478.27295	3.8
495.27628	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88286	7.3
55.05499	34.4
56.37180	8.4
65.49139	9.0
66.77817	8.7
67.05499	16.6
69.03780	58.3
69.04200	31.7
79.05476	14.6
81.07058	14.0
83.04981	100.0
89.62643	9.9
91.05465	26.2
93.07040	30.8
95.08608	50.1
105.07025	37.9
107.08578	20.0
109.06562	11.6
109.10146	10.5
111.04440	13.4
111.08084	16.1
119.08578	32.2
123.08029	19.9
128.06186	9.1
131.08571	9.1
133.06497	32.5
133.10112	23.6
137.06029	9.6
143.08545	21.9
145.06470	9.3
145.10086	20.1
147.08038	16.5
149.09721	9.1
155.08580	17.6
156.09323	12.9
157.10146	24.4
159.08037	16.2
161.09650	11.6
165.06960	15.6
167.08640	9.9
169.10126	14.3
171.08127	13.3
171.11723	15.4
175.07465	9.0
181.10127	13.4
183.11649	22.0
185.09706	13.9
187.11093	11.4
189.12666	15.0
195.11797	11.4
197.09657	15.2
197.13196	10.7
207.11760	16.9
209.13264	21.5
211.11104	10.5
219.11714	12.6
221.13268	10.4
223.14917	13.3
225.12759	18.8
235.11063	13.5
237.12694	19.3
239.14204	10.8
245.13348	11.2
249.12814	11.5
251.14218	11.7
253.12292	13.8
265.12170	9.1
277.15771	11.4
313.07089	24.1
339.19531	98.0
340.19922	15.7
345.20834	12.7
348.73062	9.1
357.20667	11.5
383.11639	10.3
413.24774	11.8
431.25751	26.1
432.26263	22.8
433.27435	12.3
441.24133	18.9
442.24405	13.0
449.26718	16.4
450.27304	10.6
459.25244	46.8
460.25482	25.6
477.26352	44.0
478.26544	57.9
495.27652	15.3
496.27603	15.0
506.53510	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2852
Annotation	Caruifolin B
Peak:m/z	Relative Intensity
53.03941	13.5
55.01871	13.5
55.05512	78.9
59.05005	5.1
59.09534	4.5
65.03947	4.9
67.05505	46.3
69.03427	10.7
69.07051	24.7
71.30704	9.0
79.05481	36.3
81.07057	37.6
83.04986	71.7
83.08619	14.9
90.98452	4.1
91.05482	47.8
93.07038	54.1
95.01334	6.3
95.04980	14.8
95.08611	98.3
97.02907	5.9
97.06546	10.1
99.00830	16.5
103.05492	6.5
104.57522	4.7
105.07029	75.3
107.05005	4.9
107.08585	49.8
109.06519	17.5
109.10159	27.1
111.04442	16.9
111.08083	32.7
115.05426	8.2
117.07024	21.2
119.08592	100.0
121.06477	25.8
121.10131	44.1
123.00790	16.7
123.08052	29.4
123.11668	5.8
128.06221	21.2
129.07018	17.6
130.07703	5.5
131.08572	41.2
133.06453	12.7
133.10144	41.3
135.08047	15.2
135.11684	13.1
137.05971	8.1
137.09615	5.7
139.07524	17.4
141.06964	9.6
141.09111	12.8
142.07773	14.4
143.08557	42.8
145.06531	10.9
145.10120	52.4
147.08058	14.5
147.11676	38.1
149.09663	10.5
149.13269	10.6
151.11142	5.9
153.12779	6.6
155.08551	19.6
156.09238	11.1
157.06523	10.4
157.10129	46.7
159.08070	14.4
159.11681	42.6
160.12437	6.5
161.06015	5.9
161.09628	19.7
161.13258	10.6
163.07582	4.2
165.06958	8.3
167.08534	11.5
169.10144	24.9
170.10948	6.1
171.08072	36.1
171.11716	29.5
172.08829	5.6
173.09631	21.4
173.13297	15.9
175.11266	8.8
179.08569	12.9
181.10104	16.0
183.08090	9.5
183.11690	23.7
185.09627	16.8
185.13283	16.2
186.10364	5.1
187.11215	29.4
187.14818	11.8
189.09116	14.6
189.12769	9.8
193.10162	11.3
194.65089	4.9
195.08102	5.3
195.11671	23.7
197.09698	9.3
197.13280	17.4
199.07545	11.0
199.11168	13.7
199.14790	10.7
201.09143	5.6
201.12732	15.3
201.16405	10.0
205.10141	9.7
205.12018	5.2
207.10001	6.8
207.11719	13.9
209.09856	4.5
209.13290	14.5
211.11209	11.0
211.14832	10.6
213.09087	5.9
213.12793	13.1
213.16325	29.9
215.14435	6.7
215.17917	18.3
217.08585	22.7
219.11714	9.0
221.13277	8.9
223.11185	7.4
223.14806	15.3
225.12749	11.1
225.16449	7.7
227.14322	5.7
229.12283	7.8
229.15741	9.2
231.13814	5.3
233.13213	11.2
234.13768	6.4
235.14838	10.7
237.12718	8.9
239.14375	6.1
241.15887	12.6
247.14705	8.9
247.16989	8.7
251.10670	8.5
259.16901	12.1
263.17984	5.2
265.12515	5.6
277.16013	6.5
281.11914	6.1
281.18985	5.5
325.17889	5.7
337.18036	8.3
343.19125	6.6
353.24707	27.1
363.23309	8.3
377.21051	15.0
381.24142	23.8
399.25476	11.1
417.23764	6.0
431.25604	7.8
433.27405	9.3
435.29663	7.2
459.25272	6.8
460.25464	5.9
461.26938	10.3
463.27713	5.7
477.26218	21.0
478.26620	5.8
479.27911	14.0
495.27408	17.1
513.35150	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2852
Annotation	Caruifolin B
Peak:m/z	Relative Intensity
53.03943	6.9
55.01869	9.8
55.05513	55.8
57.03438	5.7
62.25755	4.8
65.03941	5.4
67.05504	59.2
69.03431	13.1
69.07066	36.1
69.44907	13.8
69.45337	16.3
73.96703	4.0
79.05492	25.3
81.03430	13.3
81.07061	36.4
83.04977	72.0
83.08628	12.8
91.05476	66.3
93.07044	89.3
95.04975	26.8
95.08604	100.0
97.02901	5.8
97.06535	10.8
104.67542	4.0
105.07031	77.3
107.04951	7.7
107.08605	41.2
109.02840	5.0
109.06528	19.7
109.10148	23.7
111.04441	39.0
111.08084	47.1
111.40273	4.2
113.02336	8.6
115.05451	7.0
117.07028	27.9
119.08581	92.2
120.08923	4.3
121.06524	33.5
121.10168	24.3
123.00768	5.2
123.08064	18.2
123.11713	9.0
128.06227	25.3
129.07007	31.2
130.07759	10.2
131.08569	50.8
133.10133	58.0
135.08066	20.3
135.11691	10.9
137.09682	5.2
139.07549	34.8
141.07013	15.8
142.07791	28.8
143.08566	59.1
144.09285	6.7
145.06499	16.7
145.10118	73.3
146.10500	8.5
147.08083	20.1
147.11713	33.1
149.09628	8.4
149.89500	5.1
152.00453	4.4
153.07008	8.3
154.07822	8.9
155.03368	5.5
155.08553	42.6
156.09329	21.0
157.06413	4.7
157.10114	72.3
158.10765	9.4
159.08052	17.8
159.11668	41.2
161.06036	5.7
161.09663	22.3
161.13258	13.1
163.07567	5.6
163.11171	12.6
164.07825	5.3
165.07027	16.7
166.07738	10.3
167.08578	17.4
168.09357	12.6
169.10115	44.0
170.10878	15.3
171.08058	11.2
171.11716	41.6
173.09631	26.4
173.13225	22.3
175.11209	19.5
177.09059	7.6
178.07690	5.0
179.08574	19.2
180.09346	11.6
181.10132	43.9
182.07260	5.1
182.10870	13.4
183.11710	43.5
184.12425	9.6
185.09546	24.2
185.13258	28.1
187.11139	12.8
189.12726	9.8
192.09399	17.1
193.10176	27.7
194.10869	17.5
195.08011	6.7
195.10117	10.4
195.11699	35.3
196.12447	15.0
197.09570	10.7
197.13248	53.6
198.13878	9.4
199.11197	16.8
199.14876	14.7
201.12694	16.6
203.10667	10.5
205.10143	14.3
205.12119	5.4
206.10954	17.4
207.11678	29.8
208.12518	10.4
209.09636	12.8
209.13303	32.8
210.10420	6.3
210.13992	13.1
211.11154	19.5
211.14830	20.2
213.12752	20.9
213.16335	10.6
215.14305	7.1
215.18089	4.6
217.10060	7.8
218.10919	10.2
219.11707	27.3
219.13585	6.5
220.12523	9.3
221.13416	23.5
223.11110	15.4
223.14810	21.8
224.11592	6.3
224.15514	6.4
225.12849	22.9
225.16420	7.6
227.14326	17.7
227.17981	10.3
229.12193	7.7
231.11710	8.2
232.09117	4.9
233.13306	14.5
234.13972	8.3
235.11259	6.2
235.14804	18.8
236.11884	5.7
237.12653	14.5
237.16461	12.5
239.10674	6.7
239.14261	20.6
239.17987	17.6
241.15883	6.4
243.11655	5.7
244.12466	7.1
245.13249	11.1
247.14714	12.9
249.12843	7.1
249.16286	11.3
251.14343	13.5
251.18031	13.8
253.19443	7.2
257.15308	13.7
259.14786	6.7
261.12662	11.3
261.16443	10.2
263.14276	9.8
265.15948	15.2
265.19489	12.4
271.17001	7.1
273.16501	7.6
275.14383	6.7
275.17749	7.1
277.16000	14.5
277.19366	9.4
283.16882	6.8
287.17908	5.2
289.15979	9.6
289.19232	7.3
293.18814	12.3
295.17014	9.6
303.17331	5.8
305.15338	5.1
319.16867	8.2
321.18488	6.0
339.19696	5.7
339.23264	17.9
347.20065	6.9
363.23297	11.0
365.24792	6.7
371.27411	5.7
379.26221	6.6
389.24756	5.6
401.24704	17.1
407.25723	19.2
417.23871	6.1
418.24405	4.9
432.26016	9.5
435.25446	8.1
443.25696	7.1
449.26636	8.4
459.25281	11.6
460.25446	23.4
461.26874	25.5
477.26135	36.0
478.26590	26.5
479.27356	5.7
495.26968	18.4
496.27872	8.9
513.28394	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	23.2
61.27322	11.7
66.09169	12.4
67.05504	44.9
69.98940	23.8
69.99288	38.6
79.05505	31.8
81.07058	65.0
83.04991	38.9
91.05495	40.2
93.07049	49.5
95.08605	100.0
96.02111	11.7
98.22660	13.0
105.07030	93.3
107.08619	34.2
111.04479	19.9
111.08101	24.3
117.07053	19.0
119.08570	71.3
121.06522	18.1
123.08097	29.8
128.06183	15.9
129.07036	21.4
131.08539	29.9
133.10158	37.4
135.08075	17.7
137.05968	43.9
142.07799	18.5
143.08583	38.8
144.09343	14.9
145.06497	13.8
145.10173	38.9
147.07962	26.1
147.11682	22.4
148.17094	14.4
151.07458	26.9
157.10130	58.9
159.08127	15.7
159.11647	35.8
161.09595	16.3
167.08571	19.8
169.10188	35.2
171.08087	17.8
173.09616	19.2
181.10237	17.4
183.11700	26.2
185.13338	15.7
187.11200	18.1
195.08231	15.0
195.11752	25.6
201.12854	19.6
203.10533	14.7
207.11835	20.2
209.13257	25.3
220.12524	12.2
221.13344	16.1
239.14400	16.7
265.12262	15.1
267.13943	14.9
307.45163	13.3
321.18463	19.0
334.68231	20.1
401.24872	28.3
432.82443	13.3
443.25958	35.3
461.26971	39.6
513.28357	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2856
Annotation	Elegain
Peak:m/z	Relative Intensity
51.02388	4.6
53.03950	11.0
55.01863	9.3
55.05516	24.1
57.03434	5.2
57.07080	4.7
58.95578	4.2
60.45039	4.8
67.05508	31.3
69.03424	7.8
69.07069	9.9
71.04993	10.9
79.05490	24.8
81.03423	7.3
81.07060	39.3
83.04978	35.0
83.08591	7.2
91.05481	46.6
93.07041	69.7
95.04962	23.3
95.08607	64.0
97.06525	9.3
99.04460	10.8
105.04526	4.3
105.07023	45.1
107.04966	6.0
107.08588	35.1
109.02853	10.4
109.06502	21.4
109.10163	16.6
110.53690	4.1
111.04466	24.0
111.08082	21.6
115.05479	10.4
117.07031	17.5
119.08576	44.0
121.06505	34.3
121.10147	12.9
122.65710	4.7
123.08081	22.4
128.06200	10.4
129.06978	21.5
131.08572	39.0
133.06497	11.9
133.10114	31.0
134.57431	4.4
135.08070	15.5
135.11707	5.3
137.05957	14.4
137.09634	6.0
139.07541	17.3
141.07040	9.4
142.07796	14.9
143.08543	32.9
145.06456	8.2
145.10104	37.5
145.42799	5.1
147.08063	16.9
147.11705	13.3
149.09651	12.4
151.07544	9.9
155.08519	28.0
157.10143	39.7
159.08038	25.0
159.11710	20.9
161.09621	23.4
163.07629	6.8
165.07033	9.2
167.08531	9.8
168.09361	6.5
169.10167	24.1
170.10820	4.3
171.08066	16.7
171.11671	30.6
173.09613	31.6
173.13304	6.9
175.07603	12.2
175.11180	16.3
177.09087	6.8
179.08578	17.0
180.09250	6.9
181.10161	24.3
182.10912	9.6
183.08076	5.4
183.11696	27.0
185.09637	20.2
185.13324	9.9
187.07492	7.7
187.11220	20.6
189.09105	10.1
189.12772	8.1
191.10637	7.1
192.09320	8.8
193.08583	9.3
193.10159	23.3
194.10916	6.2
195.08157	8.7
195.10083	6.0
195.11720	21.1
197.09673	12.9
197.13286	21.0
198.10443	5.9
199.11221	15.3
201.09030	5.0
201.12772	5.8
203.06862	5.0
203.08707	4.5
203.10663	9.7
205.10213	9.3
206.10905	8.1
207.11722	19.6
208.08978	5.1
209.09663	12.5
209.13173	21.3
210.13857	5.2
211.11189	20.8
211.14882	6.3
213.09029	7.7
213.12724	11.3
213.16440	6.6
215.10583	10.0
217.10231	8.5
217.12219	7.0
219.11714	16.4
219.13763	5.3
219.87187	4.6
220.12453	7.6
221.09680	7.9
221.13237	16.7
223.11203	12.5
223.14845	8.3
225.12775	16.7
226.13382	5.5
227.10783	8.1
227.14320	12.8
229.12285	7.0
231.11868	7.6
233.09639	6.2
233.13269	14.2
235.11133	16.8
235.14764	10.2
237.12785	18.1
239.10678	6.2
239.14252	10.9
241.12216	8.9
243.13879	6.6
244.12500	7.2
245.13292	11.4
247.11174	8.9
247.14769	10.0
248.12105	6.6
249.16408	14.6
251.10706	5.6
251.14311	12.8
251.18024	7.9
253.12053	6.5
253.15865	5.6
255.13889	10.4
259.14938	10.3
261.16452	7.0
263.14355	12.3
263.17926	12.3
265.12161	8.2
265.15848	6.6
267.13699	9.9
269.15549	5.4
275.18002	5.2
277.15820	11.3
279.13989	5.2
281.15439	6.8
281.22925	4.7
283.13232	7.7
283.16971	5.0
291.13770	8.2
291.17361	6.7
293.18848	6.6
295.17053	6.6
297.18594	6.6
298.04285	4.8
303.17288	9.6
309.18469	10.2
319.16956	9.6
321.18524	6.2
327.19684	14.0
337.18161	7.4
345.20746	8.6
347.20187	5.3
367.22751	9.6
381.20740	6.0
413.24890	15.9
417.24182	13.7
428.66376	5.0
431.25833	17.2
435.25235	13.2
441.24130	17.3
441.29602	5.6
449.26419	7.9
451.28900	6.3
453.26376	8.4
459.26089	29.6
467.27768	6.2
477.26822	100.0
478.27362	6.2
495.28021	62.2
496.25446	4.9
513.29089	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.01898	3.7
55.05508	13.3
55.41066	3.1
57.03442	8.2
59.96546	3.3
61.02923	13.9
65.03957	3.0
67.05506	28.5
69.03429	8.1
69.07063	15.7
69.17319	24.0
71.88223	3.7
73.02915	8.3
76.35732	3.4
79.05505	37.4
81.03455	3.7
81.07066	40.3
83.04978	9.9
83.08607	6.7
85.02919	14.5
86.62447	3.7
86.84218	3.2
91.03943	9.3
91.05479	36.5
93.07050	53.0
95.04958	7.1
95.08617	29.9
96.37616	3.3
97.02888	8.0
105.07041	34.7
107.04980	4.5
107.08602	31.3
109.06533	10.8
109.10165	11.7
117.07035	12.9
119.08566	33.2
121.06507	6.0
121.10165	27.4
123.08055	5.3
123.11639	5.0
125.09673	4.2
127.03903	3.8
128.06287	3.8
129.07011	10.7
131.08578	26.6
133.10136	36.0
135.08113	7.7
135.11699	25.9
137.09624	5.2
138.61275	3.4
142.07816	3.9
143.08539	9.9
145.06555	4.0
145.10136	20.8
147.07997	5.3
147.11676	34.8
149.09668	5.2
149.13248	17.5
157.10155	14.7
159.11671	16.4
161.09692	6.1
161.13206	22.6
163.14850	4.9
171.11687	11.7
173.13292	11.7
175.11223	4.5
175.14827	11.0
177.12813	3.8
181.10005	3.6
183.11688	7.4
185.13345	11.7
187.14766	4.2
199.14861	8.9
241.19449	21.0
259.20575	49.9
277.21686	8.3
301.21579	4.7
333.24261	7.3
349.23459	3.4
351.25311	100.0
352.25388	5.7
441.26215	7.3
459.26544	5.7
477.26822	5.4
495.28088	7.4
500.27225	4.1
513.35712	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03191	0.3
53.03968	0.6
55.01658	0.2
55.01897	0.8
57.03443	0.3
65.03938	4.8
67.05505	1.6
67.05781	0.1
68.99794	0.4
69.03436	0.5
69.54502	0.5
69.54897	0.5
81.03429	0.7
85.02900	2.5
91.72546	0.2
93.03400	5.2
95.01377	0.2
95.04965	1.1
97.02892	0.9
98.97576	0.2
107.04972	0.4
108.02097	2.2
109.02895	0.6
110.03647	1.0
111.04447	6.7
111.05201	0.4
112.01585	0.4
112.04802	0.2
121.03994	0.2
123.04445	0.5
125.05986	8.3
126.02569	0.2
127.03927	0.5
134.22089	0.2
134.92946	0.2
136.01590	0.6
137.05942	0.3
139.03899	16.9
141.05487	2.0
145.04977	0.4
145.19669	0.2
151.03906	100.0
151.04982	7.2
152.04237	2.3
167.03398	13.3
168.03799	0.3
169.04959	35.0
170.05339	0.8
185.04492	0.3
201.09619	0.2
226.88599	0.2
257.04260	0.2
280.52222	0.2
295.08234	1.2
313.09027	0.7
417.00485	0.2
463.80225	0.2
515.20209	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	87.2
57.07055	20.8
61.36467	18.0
62.02172	13.8
63.46086	16.0
66.89781	13.7
67.05501	34.1
69.81375	49.6
71.05016	20.9
81.07043	32.7
83.04977	67.7
86.24454	17.1
91.05494	27.1
98.23327	23.2
107.08598	24.2
113.01620	17.7
117.60329	16.3
131.08566	18.2
146.90312	17.5
159.11694	17.6
180.28503	18.2
186.45036	17.2
294.69116	17.8
335.12766	100.0
366.14484	36.8
397.16620	44.9
398.76572	18.1
449.45129	18.0
513.50586	40.6
514.36090	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	30.0
57.07086	18.3
67.05507	43.1
69.07055	31.2
71.04990	12.2
71.08624	15.8
71.31503	18.1
73.48694	10.8
77.00626	12.8
79.05502	36.5
81.07068	52.7
83.08614	14.3
88.07629	17.6
89.06046	16.1
91.05482	28.7
93.07042	28.9
95.08614	50.8
102.09147	13.3
105.07047	28.8
107.08601	37.1
109.10161	26.8
117.06989	14.6
119.08549	30.7
121.10074	19.0
131.08578	20.1
133.10106	20.8
135.11713	20.4
143.08560	19.6
145.10143	39.0
159.11739	26.0
167.07022	16.4
173.13341	17.7
183.11624	16.5
185.13333	14.6
197.99258	13.0
251.42400	12.2
256.26230	26.1
283.26166	14.3
284.26599	22.4
321.11047	18.5
331.31592	15.3
335.12766	39.5
355.40829	13.1
366.14670	20.4
367.15323	50.6
397.16461	45.5
465.28976	16.1
513.50885	100.0
514.36023	36.9
514.51050	20.6
515.37268	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.4
53.57410	1.1
55.05239	2.5
55.05510	52.5
69.12966	8.4
83.04979	100.0
84.05295	2.2
87.81972	1.2
88.07595	1.0
96.29265	1.3
96.42216	1.2
98.22666	2.4
257.26804	1.9
284.26492	1.6
340.08731	1.1
513.50793	3.5
514.18976	3.0
514.50946	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.6
55.05490	6.8
57.03433	3.4
61.02931	4.0
64.63603	3.1
67.05495	11.7
69.03439	4.0
69.07063	3.7
69.54256	2.7
70.03355	6.8
71.04985	5.1
79.05489	8.2
81.03416	100.0
81.07056	13.1
83.04999	4.0
83.08616	25.1
85.02892	4.9
91.05481	12.8
93.07010	6.7
93.33865	3.4
95.04972	29.3
97.02887	4.9
105.07015	12.8
107.04966	6.5
109.02842	3.0
109.06553	5.2
111.04452	2.9
111.08077	9.4
119.08578	11.4
121.10130	5.5
129.07014	7.5
131.08531	8.2
133.06445	4.2
133.10117	5.2
145.10181	3.9
147.08156	3.6
147.11708	5.4
149.09544	7.6
153.31119	4.3
157.10123	11.9
173.60533	3.2
175.11201	15.7
193.12239	85.8
194.12602	3.7
211.13321	5.2
221.46021	3.3
235.13301	4.7
267.15875	45.4
280.19510	3.3
285.16962	84.6
309.16895	7.1
373.13828	7.7
438.23593	3.5
461.94214	3.1
514.20758	4.7
515.21906	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60174	6.1
54.94160	6.8
55.05509	17.3
67.05500	19.3
69.07078	11.4
70.44288	18.4
79.05513	11.1
81.07062	19.8
83.04995	33.5
83.08607	9.6
91.05493	9.8
93.07052	24.9
95.08598	43.1
96.38595	7.0
96.62447	6.8
98.23192	8.1
105.07030	20.8
107.08588	20.9
109.10145	15.3
111.04465	10.8
111.08090	15.3
117.07014	8.7
119.08577	29.0
121.10178	12.6
123.08051	13.0
131.08580	17.1
133.10121	19.2
137.09677	8.7
137.73938	7.5
143.08542	12.9
145.10144	25.4
147.11652	10.8
149.09636	11.4
155.08554	8.8
157.10150	24.7
159.11711	22.4
163.03613	7.2
167.08630	8.8
169.10089	20.2
171.11696	23.2
173.09505	11.4
173.13269	10.8
175.11151	15.1
181.10124	14.3
183.11723	20.8
185.13278	14.6
189.12718	13.5
195.11707	13.6
197.13243	24.3
207.11775	8.4
209.13193	15.5
221.13326	12.7
223.15024	7.4
227.14333	8.8
229.16022	9.2
254.49501	7.0
271.17068	8.4
279.17316	9.3
376.27240	7.4
383.14948	13.9
384.15189	7.9
401.24689	9.4
414.16330	8.2
417.27963	11.3
419.25931	44.4
435.28986	100.0
447.28839	17.5
461.26782	48.4
465.29999	26.5
479.28058	33.5
514.35956	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	4.5
55.05522	10.5
65.03967	4.7
67.05511	17.1
69.07085	5.9
69.21478	28.6
79.05492	11.8
81.07060	18.1
81.41919	4.9
83.04987	11.6
83.39949	4.9
90.04058	4.4
91.05486	17.7
93.07064	16.1
95.08609	36.7
98.22587	8.5
101.26694	4.1
105.07017	22.7
107.07941	3.9
107.08623	19.3
109.06527	6.3
109.10146	5.7
111.08103	9.3
119.08600	19.4
121.10167	7.2
123.08078	11.1
129.07005	8.1
131.08563	17.2
133.10120	6.2
137.06017	4.5
139.07585	5.7
143.08563	22.7
145.10161	15.0
147.08058	4.4
147.11668	6.2
155.08560	14.7
156.09315	6.7
157.10127	21.4
159.08087	5.0
159.11656	7.2
161.13281	5.7
165.06996	6.6
169.10159	15.8
171.11688	12.2
173.09653	8.8
175.07623	4.3
181.10124	16.9
183.11641	8.9
185.09627	8.3
187.11145	7.6
189.12822	5.3
191.08533	5.6
192.09285	6.0
193.10158	12.3
195.11670	21.3
197.09622	6.0
197.13232	4.6
199.11308	5.7
203.08617	5.1
205.10168	14.7
206.10921	7.9
207.11766	22.6
209.13304	9.5
211.11208	6.8
217.10188	6.1
219.11751	16.9
220.12402	6.1
221.13335	19.2
223.11290	7.8
223.14825	6.9
225.12769	5.6
231.11845	6.8
232.12550	8.1
233.09604	4.7
233.13213	13.2
235.14841	11.0
239.10614	4.5
246.14134	7.2
247.14835	9.7
256.26233	9.6
259.14877	7.8
261.16376	19.8
267.06567	10.7
269.15421	4.9
275.17957	7.9
277.19284	5.6
281.15378	5.7
307.16986	5.3
314.58630	4.6
321.18356	16.7
323.20047	8.2
329.10394	5.3
345.17480	4.8
366.31430	5.0
375.23126	7.6
401.24704	21.5
415.26407	7.4
417.27820	7.9
433.27386	8.3
435.25070	8.4
439.24915	5.8
443.25613	25.8
461.26877	100.0
462.27380	14.5
479.28360	22.1
514.24622	8.2
514.41986	6.2
515.23737	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33681	6.1
67.05502	6.6
69.36127	14.2
69.36541	26.1
83.04996	23.1
84.20348	5.1
85.06556	15.4
87.84032	5.2
93.07055	12.6
95.08608	9.1
98.22615	11.8
105.07051	12.1
110.76984	5.2
111.04443	9.1
111.08049	8.8
119.08580	10.0
129.06966	8.1
133.10115	8.0
136.96613	6.2
140.93057	5.6
142.07826	10.8
155.56560	6.6
157.10153	24.5
169.10236	10.1
171.11809	11.7
181.10170	6.8
183.11740	9.3
199.11212	7.0
205.10136	11.4
207.11649	8.0
209.13275	16.3
211.14873	7.7
217.12279	15.6
219.11681	10.8
221.13315	9.1
261.16214	10.3
267.06546	20.0
297.07648	12.6
323.20065	6.5
385.12842	10.7
401.24869	100.0
402.25290	7.8
413.15869	10.6
417.27762	10.3
443.25790	20.7
444.26218	8.6
452.95059	7.3
461.26794	96.9
479.27673	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61448	3.5
53.03943	14.7
53.87819	4.3
54.25386	3.8
55.01884	4.4
55.05505	5.7
67.05528	9.1
68.18055	3.9
69.07106	4.6
71.04958	5.4
79.05483	11.0
81.03419	7.4
81.07056	9.3
83.04988	7.7
85.06558	4.4
91.05476	17.3
93.07053	14.3
95.08611	13.8
98.22557	8.4
99.04428	6.4
104.41509	3.4
105.07015	21.9
107.08612	14.9
109.02901	12.5
109.06535	4.8
109.10149	5.6
117.07048	12.4
119.08570	22.8
121.10143	8.7
123.08030	5.3
125.81474	3.7
127.03919	4.3
128.06233	5.1
129.06992	8.4
131.08537	20.1
133.10117	23.1
134.07103	4.1
135.08096	3.6
135.11708	5.0
141.06993	5.3
142.07785	7.4
143.08568	15.8
145.10141	19.2
147.08067	6.0
147.11702	8.7
155.08540	11.6
156.09315	10.5
157.10130	29.1
158.10498	4.7
159.11697	16.4
161.09654	9.1
165.07112	5.4
168.09448	4.5
169.10129	12.5
170.10872	5.4
171.11732	23.6
173.09669	12.7
173.13261	7.9
179.10663	5.5
181.10104	9.0
182.10901	8.7
183.11708	22.8
184.12357	4.4
185.09700	5.1
185.13275	16.2
187.11220	8.3
191.10684	5.6
193.10109	9.2
194.10910	6.6
195.11693	16.7
197.13234	20.4
199.14862	4.9
205.10199	7.0
205.12215	3.8
207.11690	17.7
208.12532	5.3
209.13258	21.2
211.11172	4.9
211.14839	8.3
213.12831	4.8
215.10509	4.0
219.11668	10.0
219.13765	4.9
221.13248	13.6
222.13812	5.7
223.14877	16.2
225.12898	5.3
227.14186	4.1
231.13739	5.2
233.13263	9.0
235.14859	12.0
237.16362	5.9
241.12341	5.3
243.13835	6.9
244.12447	5.3
245.13228	4.5
247.14766	10.0
249.12752	4.9
251.14348	3.7
251.18002	7.5
255.13710	7.6
255.24554	3.8
257.15576	5.5
259.14743	4.9
261.16464	9.4
263.18158	4.6
269.15393	4.7
277.16031	5.5
277.19537	3.6
278.45560	4.0
283.17096	5.1
289.19553	4.8
295.16995	12.4
297.18481	4.7
301.19031	3.7
323.20126	9.1
333.18719	4.0
339.19519	5.8
344.40845	3.9
357.20364	4.2
359.20142	6.8
363.22998	4.3
364.23929	6.3
387.19479	6.1
415.26215	10.3
417.28006	4.2
419.25784	35.8
435.29269	5.5
443.25803	19.5
461.26923	71.9
462.27063	11.6
479.27969	100.0
480.28116	13.3
497.29230	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05796	5.1
53.03940	9.8
55.05507	10.9
61.24205	5.2
67.05504	20.6
69.07065	8.9
71.09859	8.9
79.05505	9.8
81.03407	5.4
81.07055	22.4
81.07472	4.9
82.84564	5.0
83.04984	16.6
91.05486	19.1
92.22476	4.7
93.07051	24.5
95.04963	7.0
95.08617	26.2
97.56496	4.9
99.04465	6.4
105.07049	31.3
106.07283	5.6
107.08602	28.8
109.02891	11.0
109.06531	8.9
109.10181	10.6
111.04462	9.1
111.08092	17.4
114.71696	5.0
117.07054	10.3
119.08579	40.4
119.90280	5.7
121.10156	11.3
123.08037	6.5
128.06236	8.1
129.07027	10.2
131.08582	30.7
133.10136	19.7
135.08076	8.9
135.11636	8.6
137.09627	5.7
139.07550	6.4
141.06979	8.4
142.07780	8.8
143.08545	23.3
145.10173	26.1
147.08022	5.4
147.11705	10.1
148.40585	5.3
155.08537	18.8
156.09265	9.0
157.09061	5.1
157.10133	34.1
159.11668	16.4
161.09618	10.3
167.08592	7.7
169.10118	21.6
171.11713	30.3
172.12297	5.3
173.09645	10.5
173.13293	12.1
179.08560	15.6
180.09366	10.3
181.10098	19.2
183.11705	24.1
184.12187	6.7
185.13232	9.8
186.05396	8.6
186.13637	5.4
187.11197	7.2
193.10095	15.3
194.10782	9.2
195.11671	15.9
197.13229	15.2
199.11168	7.2
199.14868	11.2
206.10860	10.3
207.11693	10.8
208.12363	6.5
209.13274	22.3
211.11253	5.8
211.14738	6.2
213.12738	7.1
220.12531	5.0
221.13254	23.1
222.14024	5.9
223.11079	6.3
223.14874	9.8
227.14278	6.7
229.12410	7.3
231.11681	12.0
232.12457	5.0
233.13338	6.7
235.14882	15.3
237.16386	7.9
243.13931	10.5
245.15538	9.2
247.14774	8.9
249.12564	9.2
249.16414	10.2
251.14391	8.2
251.18146	7.1
257.15356	6.0
259.14792	6.6
261.16391	10.1
263.14261	8.5
263.17938	8.9
269.17691	7.2
271.17072	6.1
277.15692	6.8
281.15378	6.4
291.17334	6.1
295.17038	8.4
297.18396	8.5
305.18866	7.9
311.09348	7.0
321.18488	6.2
321.60672	5.5
323.20023	14.7
339.19553	7.9
364.24261	9.3
375.23291	7.0
401.24597	16.2
405.20410	7.0
415.26306	7.7
419.26044	40.1
435.28964	9.3
443.25842	31.4
461.26849	96.6
462.27420	11.2
479.27838	100.0
480.28220	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86052	12.4
55.05508	29.9
56.38004	10.8
61.24423	13.2
61.92091	12.7
62.48735	11.7
69.10778	100.0
69.11176	22.1
79.05500	17.9
79.20665	9.9
81.07082	23.5
83.04979	57.7
85.06547	78.2
91.05475	19.3
93.07021	16.3
95.08621	28.0
98.22594	22.9
105.07033	34.0
107.08553	14.8
111.08092	12.7
113.05984	19.8
119.08567	22.0
123.08109	14.1
129.32542	11.9
131.08542	12.8
135.08047	13.9
143.08521	19.8
145.10156	22.8
147.50833	15.7
157.10141	19.7
159.11737	16.4
171.11720	14.8
175.07257	12.0
181.10168	22.8
183.11761	16.8
185.13345	16.1
187.09665	24.1
194.10886	13.5
211.11037	15.8
219.11661	18.2
221.13173	13.9
223.14954	16.8
235.14902	13.3
239.14481	17.6
240.04176	25.3
243.24023	11.4
253.08365	13.3
267.06549	67.4
269.07947	14.3
286.04767	25.8
297.07547	35.3
301.07117	18.1
302.43750	13.3
309.07782	12.8
311.09338	13.9
313.07022	29.2
314.07672	35.3
321.18579	18.4
328.09174	16.9
329.10208	38.0
341.09836	18.6
353.10016	16.2
358.67731	12.7
370.10706	13.6
384.11661	16.7
385.12592	60.5
413.16022	45.9
421.23370	24.9
432.26334	14.8
433.27628	13.7
435.28928	23.0
443.25620	18.7
461.26865	83.8
465.29572	16.2
469.18628	24.0
478.26300	15.6
479.27539	25.0
514.48663	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58618	6.0
53.03950	10.0
54.26675	5.9
55.05507	25.1
65.03605	5.4
65.03936	8.3
67.05500	34.2
69.03423	13.4
69.07079	16.9
71.04990	5.6
79.05497	40.9
81.03421	6.4
81.07055	66.5
82.07398	9.1
83.04976	29.4
83.08604	12.6
91.05484	47.1
92.05782	5.6
93.07038	60.3
94.07400	7.0
95.04976	16.6
95.08597	66.3
96.08958	8.1
97.02899	19.3
97.06537	10.9
99.04480	8.7
102.89477	5.7
105.07030	48.8
107.08604	57.2
107.35830	4.9
108.08975	5.8
109.06515	22.3
109.10124	34.6
111.04470	11.2
111.08112	20.8
115.05499	6.1
117.07018	23.1
119.08585	55.2
120.08910	9.6
121.06523	20.1
121.10149	17.4
123.08067	26.8
123.11694	9.4
128.06213	7.5
129.07033	35.2
131.08580	32.6
132.08925	8.9
133.06516	11.4
133.10129	38.5
135.08087	17.2
135.11696	20.6
137.05995	38.3
137.09598	11.3
139.07538	18.4
141.07014	12.2
142.07765	23.8
143.08574	38.9
145.06514	20.8
145.10143	44.5
146.10439	7.9
147.08022	12.0
147.11685	14.8
148.08313	6.6
149.09590	7.1
149.13242	7.1
155.08559	29.6
156.09314	18.3
157.10124	67.4
158.10513	12.9
159.08055	21.8
159.11658	41.8
161.09615	17.6
161.13303	10.5
163.07565	7.9
165.06972	9.8
167.08563	11.7
168.03616	6.5
168.09315	9.2
169.10124	45.8
170.10646	14.7
171.07967	12.4
171.11765	31.3
172.12157	11.6
173.09665	20.8
173.13260	14.8
174.10019	14.4
175.07617	7.8
175.11266	12.6
177.09131	6.9
178.08037	6.1
179.08591	15.9
180.09259	6.5
181.10095	39.2
182.10764	10.6
183.11716	41.5
185.09636	24.3
185.13275	20.5
187.11153	21.6
191.10654	7.3
192.09369	11.8
193.10146	24.9
194.10803	10.8
195.08058	13.4
195.11673	53.4
196.12276	14.5
197.09665	10.4
197.13345	39.1
199.11209	21.4
201.12825	11.4
205.10158	17.3
205.12202	7.9
206.10982	9.0
207.11694	45.5
208.12320	12.0
209.13252	43.7
210.13895	9.9
211.11137	16.9
211.14868	17.9
213.12669	10.0
215.10667	17.4
216.11005	16.8
217.10210	7.7
218.10675	6.8
219.11604	14.5
219.13696	6.2
220.12367	9.3
221.13335	28.8
222.13794	9.5
223.11197	22.5
223.14755	36.0
224.11774	6.2
224.15192	7.8
225.12759	14.5
225.16412	12.7
227.10719	8.5
229.12262	8.8
231.11725	9.9
231.13785	6.7
233.13222	13.4
234.13834	12.2
235.14763	35.3
236.15546	9.8
237.12749	15.7
237.16415	26.0
239.14351	15.8
241.12115	9.3
243.13901	12.9
247.11072	11.2
247.14825	20.8
249.12746	17.2
249.16386	11.0
251.10571	9.4
251.14285	17.6
253.15932	10.0
255.13857	13.9
257.15399	9.3
263.14212	16.3
263.17975	17.3
265.12033	6.9
265.15866	19.6
267.13861	20.4
267.17502	9.6
277.15857	14.3
279.17554	12.9
281.15295	9.0
282.16095	7.2
283.13428	20.0
283.16925	45.7
285.18549	8.2
295.16965	15.0
297.18555	100.0
298.18802	9.9
305.19064	34.1
306.19431	9.6
322.18900	8.3
322.22504	7.4
323.20074	96.2
324.16849	8.3
324.20349	9.6
325.21695	17.6
341.17380	6.9
341.21082	32.7
399.18057	12.2
418.24585	7.8
419.25858	7.3
432.26266	11.8
434.01614	6.4
434.27689	9.8
436.25446	8.4
439.24576	10.2
442.24438	16.2
443.25800	12.5
451.21402	9.9
452.28787	10.7
460.25510	26.9
461.26489	19.8
478.26862	62.6
479.27844	49.2
480.27731	9.3
482.27902	7.8
496.27652	24.6
497.28485	19.7
515.23175	21.1
515.31104	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15665	4.6
55.05503	18.8
65.03952	5.6
67.05496	30.9
69.07075	5.9
69.28008	10.6
69.28433	21.3
79.05487	14.9
81.07043	27.6
83.04977	41.6
83.08564	4.6
88.90986	4.5
91.05491	27.4
93.07059	40.1
95.04973	15.8
95.08604	45.2
104.99320	5.0
105.07041	23.7
107.08607	30.7
109.06546	17.5
109.10132	6.3
111.04467	10.1
111.08105	10.9
112.50473	5.0
115.05463	7.8
117.07005	13.9
119.08616	32.5
121.06500	6.3
121.10130	13.2
123.08072	17.0
128.06230	14.0
129.07016	10.7
131.08556	33.2
133.10138	19.3
135.08121	7.8
135.11621	5.2
137.05989	6.5
139.07541	4.9
142.07721	5.6
143.08566	31.5
145.10161	32.5
147.08005	6.9
147.11699	10.2
153.06900	5.9
155.08527	26.7
157.10132	30.1
159.08095	7.6
159.11714	21.6
161.09633	9.0
167.08585	11.7
168.09346	7.0
169.10118	29.1
171.08131	9.2
171.11713	20.1
173.09636	13.8
173.13275	11.4
174.63213	4.9
175.11116	9.8
179.08621	9.5
180.09291	12.1
181.10103	25.3
182.10857	8.4
183.08028	6.2
183.11717	26.7
185.13266	11.0
186.33174	4.7
191.08517	7.0
192.09338	8.8
193.10207	10.9
194.10883	8.1
195.07939	6.8
195.11736	26.2
197.09663	8.8
197.13333	15.0
205.10193	9.1
206.10884	13.4
207.11702	26.2
208.12462	6.5
209.13287	30.8
211.14795	7.5
213.12802	7.7
215.14291	7.3
218.10748	5.7
219.11679	17.6
220.12540	5.3
221.13338	29.4
222.13919	8.8
223.11122	9.0
223.14806	18.9
225.16406	6.2
227.10760	7.5
231.11699	6.1
233.13342	8.3
235.11136	8.2
235.14830	15.0
237.12627	9.4
237.16440	12.5
246.14000	6.2
247.14861	9.6
249.12674	7.2
249.16461	10.4
251.14345	7.1
251.17932	7.3
261.12778	6.5
261.16452	9.3
263.14294	10.1
263.17880	8.9
267.13901	6.9
275.17984	15.4
277.16071	5.5
277.19379	10.0
279.13843	7.4
295.20541	5.7
303.17422	10.2
307.88541	5.8
321.18533	16.4
323.20096	7.5
339.19528	13.6
341.21194	8.1
341.65195	4.9
347.20132	9.7
351.95154	5.0
403.22525	10.0
415.26443	25.0
417.27847	14.5
419.25778	18.9
421.23871	12.0
425.24649	5.8
433.27277	23.5
435.28802	15.6
443.25848	40.2
461.26874	98.9
462.27048	7.0
479.21384	3.5
479.27917	100.0
480.28320	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45303	6.7
55.05513	83.3
59.31874	8.9
63.85870	7.2
67.05493	38.5
69.03427	12.1
69.07051	19.2
69.75761	21.4
69.76156	15.0
72.47948	7.5
76.73409	7.2
79.05489	21.1
81.07050	33.7
83.04980	96.6
84.05289	12.8
89.06055	10.3
91.05495	36.8
93.07033	58.4
95.04978	15.6
95.08610	64.2
97.06537	11.1
99.26742	7.6
99.85921	7.6
105.07027	54.1
107.08588	33.2
107.23383	7.9
109.06506	26.9
109.10151	23.7
111.08073	18.1
117.06989	11.7
119.08570	34.8
121.06528	11.4
121.10114	20.4
123.08028	20.0
128.06252	12.2
129.07010	18.0
131.08565	34.3
133.10129	31.1
135.08051	13.4
137.05977	13.6
141.06955	13.7
142.07819	14.4
143.08524	36.6
144.08890	8.0
145.10091	38.4
147.11736	9.7
149.09578	9.0
155.08521	21.9
156.09204	15.0
157.10121	50.0
159.08150	15.2
159.11681	35.5
161.09647	12.3
161.13275	13.8
165.06981	11.7
166.16287	8.4
167.08530	12.1
169.10112	32.0
171.08113	9.7
171.11700	32.7
173.09560	17.4
173.13213	11.4
179.08510	11.8
181.10149	25.9
183.11639	24.1
185.09648	14.2
185.13322	23.9
187.11194	14.4
189.12735	10.7
193.10199	13.9
195.11714	40.6
197.13228	22.2
198.13788	9.8
199.11200	17.7
201.12723	10.4
205.10173	12.3
207.11620	29.2
208.12369	12.4
209.09653	10.1
209.13228	36.2
211.11330	8.4
211.14774	14.1
214.81189	8.5
221.13402	22.0
223.14833	18.9
225.12799	11.1
227.10605	11.3
227.14346	9.3
231.11589	8.3
235.14856	19.9
237.16383	13.5
247.14699	16.5
249.12587	9.4
249.16359	14.7
257.04626	10.3
261.16443	10.0
263.14432	12.1
267.13751	13.1
269.15237	12.9
275.18073	12.0
281.15302	16.7
295.16901	8.4
297.18564	11.3
321.18610	18.4
323.19870	18.8
401.24673	35.4
403.22684	9.4
415.26443	14.1
417.27838	15.1
419.25894	51.8
421.23474	24.2
433.27142	12.1
435.29001	50.5
437.26813	12.0
443.25668	30.2
461.26913	91.3
462.26437	10.1
478.26660	12.8
479.27902	100.0
480.28275	8.7
496.27606	12.0
497.29105	19.2
515.23553	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	60.1
56.05843	10.3
67.05499	20.6
69.03406	7.1
69.07059	9.1
69.15548	54.2
78.30734	6.8
79.05498	15.1
81.07066	12.8
81.77988	7.4
83.04980	100.0
84.05318	12.0
85.06548	19.3
91.05493	25.9
93.07039	19.1
95.08597	25.5
104.71957	6.8
105.07061	20.6
107.08572	16.9
108.08911	6.8
109.10176	6.6
111.04443	14.2
111.08119	8.4
119.08572	32.6
121.06493	12.5
121.10109	8.8
123.08082	8.4
129.07036	7.4
131.08528	8.5
132.08948	7.6
133.10120	16.3
135.08031	9.3
136.08366	7.0
142.07669	7.9
143.08527	15.6
145.10098	19.7
145.70320	6.9
146.10483	7.9
155.08521	13.6
157.10092	19.8
159.08118	11.6
159.11670	15.8
167.08493	8.6
170.10724	8.5
171.11691	17.5
173.09732	10.2
179.08548	12.1
180.09184	7.8
181.10153	9.1
183.11713	10.9
185.13251	10.6
186.10126	10.0
187.09695	11.0
187.11220	8.8
195.11736	11.9
197.13223	8.7
199.11195	7.6
209.13159	8.6
211.14870	7.8
221.13194	13.0
225.12709	8.8
234.13675	8.0
237.12733	8.3
240.04008	10.7
266.05615	7.7
267.06528	19.7
297.07510	21.6
301.07120	7.6
323.09076	21.9
326.07669	10.4
327.75504	6.8
329.10245	15.5
366.15836	7.5
385.12720	32.5
413.16312	10.0
422.27927	11.6
435.28802	9.3
439.43143	7.5
443.25858	20.7
453.30103	10.3
460.25278	11.3
461.26880	37.3
469.18610	13.9
478.26743	16.1
479.27728	21.3
487.20111	8.7
496.27676	17.4
514.28546	8.4
515.23853	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07146	11.1
54.95204	12.0
55.05504	51.4
64.56158	12.9
67.05514	28.6
69.07065	34.6
69.86115	50.8
71.46904	12.1
78.12635	13.0
79.05494	18.8
81.07045	30.5
83.04993	60.4
91.05481	15.3
93.07059	51.8
95.08611	40.6
97.02067	12.2
100.00089	12.6
105.03401	16.1
105.07024	43.6
107.08605	46.3
109.10200	16.5
111.04409	15.4
115.30706	14.1
119.08561	48.9
121.10168	29.2
129.06975	14.3
131.08583	31.3
133.10127	32.3
135.11752	19.3
143.08588	40.5
145.10199	40.2
147.11731	15.4
151.71025	14.1
153.60228	12.3
157.10194	48.4
159.08121	18.1
159.11707	41.9
171.11681	53.7
173.09717	13.4
175.11250	14.0
183.11732	31.5
185.13329	26.3
193.16017	14.9
197.13316	32.5
199.14891	15.2
209.13206	21.8
213.16489	14.5
223.14854	16.2
235.14780	18.5
237.16423	15.5
326.85559	13.1
327.07983	14.2
332.95316	13.5
419.29315	24.4
429.27734	32.2
447.28934	46.3
465.29968	100.0
497.32385	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34094	10.2
55.05511	75.1
57.07059	12.8
67.05505	73.3
69.07068	36.5
71.30009	13.0
79.05501	52.5
81.07054	70.5
83.04987	83.6
88.07629	12.2
91.05495	67.0
93.07036	99.8
95.04996	20.0
95.08604	100.0
95.66961	10.4
97.06541	11.8
97.10147	17.7
105.07031	64.8
107.08572	67.3
109.06528	12.4
109.10182	32.9
111.04446	23.8
111.08085	14.8
113.05997	15.1
113.58712	14.1
117.07036	41.8
119.08591	79.0
121.06509	19.2
121.10142	43.7
129.07004	27.0
131.08575	72.4
133.10149	53.5
135.08080	12.3
135.11696	38.9
137.06039	14.8
143.08543	41.6
145.10159	74.7
147.08072	27.3
147.11710	41.9
155.08614	18.0
156.09354	16.2
157.10150	50.3
159.08084	12.2
159.11671	45.3
161.13225	21.5
163.11176	17.6
167.08443	14.5
169.10158	22.0
171.11678	47.2
173.13274	33.2
175.11159	13.5
181.10091	17.0
181.12270	11.8
183.11749	44.4
185.13258	36.9
195.11731	21.0
197.13327	26.4
199.14818	28.0
207.11734	17.6
208.08159	10.8
209.13219	22.0
211.11118	12.8
223.14871	19.8
235.14742	14.1
237.16426	15.6
245.15469	29.0
251.14224	14.7
251.80138	11.4
257.26657	17.7
266.08917	19.3
267.09955	22.9
268.10709	13.5
271.17099	12.5
277.16046	16.2
279.17566	17.6
283.26254	16.9
284.26694	20.6
285.27136	13.6
294.08331	18.5
321.07642	12.6
322.08142	15.1
323.19803	12.1
325.21631	19.1
326.10977	22.1
326.26263	11.9
354.10522	29.5
399.62509	12.3
414.12589	47.8
419.29648	30.3
429.27814	62.0
447.28882	72.6
465.30084	91.7
513.50714	37.4
514.35791	43.1
514.50970	41.7
515.37573	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
55.05514	82.0
56.05848	13.9
64.41055	3.0
67.05511	7.6
69.07081	5.0
71.32728	4.7
79.05482	3.9
81.07076	8.0
83.04987	100.0
83.05460	6.4
83.15952	3.0
84.05307	15.5
86.06090	3.0
91.05485	10.7
93.07030	8.2
95.08613	15.6
105.07026	5.9
107.08581	7.8
109.06523	3.5
109.10175	3.7
109.83375	3.0
119.08589	11.2
121.10216	6.2
123.08086	4.1
131.08589	9.2
132.07843	3.8
133.10156	7.8
143.08549	5.7
145.10144	11.9
147.11678	5.6
147.61880	3.4
155.08566	3.5
156.09288	4.5
157.10162	10.0
159.08131	4.9
159.11697	11.2
161.09584	4.9
169.10103	6.2
171.11722	10.7
173.09703	4.0
173.13257	4.3
183.11716	4.8
187.11189	4.7
191.14255	4.1
197.13283	7.2
201.12753	4.2
209.13341	3.2
211.14774	5.0
223.14822	4.5
227.14194	3.3
230.09404	4.0
238.09654	3.4
249.08847	4.7
252.10989	3.4
265.12250	3.4
269.14957	3.9
273.18610	3.9
275.60843	3.7
277.08557	9.5
278.09186	7.7
279.09802	5.9
279.17676	3.5
291.09943	4.2
292.10791	4.0
293.07849	3.1
293.11658	9.0
294.08502	3.4
294.12305	3.9
305.08047	5.9
306.08923	4.1
308.10037	6.6
309.11185	3.8
312.09766	5.4
313.10406	4.2
321.07541	4.5
321.11252	10.0
322.11774	3.8
323.12610	5.2
330.10641	4.2
331.11227	5.9
336.10101	6.7
337.10550	5.1
338.11087	7.0
343.11560	5.4
344.12177	5.3
351.12268	8.5
352.12894	26.5
353.13596	13.1
354.14166	6.8
355.15088	7.7
356.15720	5.7
370.13660	6.6
382.14261	4.3
383.14825	44.3
384.15131	23.3
385.16296	4.4
396.15240	4.7
413.16318	3.7
414.16260	18.3
419.25757	10.1
429.27850	7.6
435.28870	11.0
447.28925	13.2
461.27063	4.9
465.29837	20.1
479.27847	4.2
514.21265	25.2
514.29596	10.9
514.35352	28.9
515.21667	3.5
515.37256	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1734
Annotation	Phthalocyanine
Peak:m/z	Relative Intensity
51.73282	0.3
63.29424	0.3
65.03890	0.4
69.03422	0.5
70.06586	0.6
70.27718	1.0
71.64001	0.3
72.74399	0.3
81.03380	0.5
81.59071	0.3
85.02901	1.3
86.03232	0.3
88.28120	0.3
93.03387	0.5
95.04971	0.5
97.02872	0.5
98.23351	0.4
103.05518	0.3
105.07021	1.9
111.04453	0.4
115.60303	0.3
121.06568	0.4
122.09673	0.8
125.06031	0.7
127.03875	0.6
133.02866	0.3
137.05980	0.9
138.06314	0.5
138.45107	0.3
145.04947	0.5
147.04399	0.4
149.05991	0.9
150.06300	0.4
153.05460	1.3
154.05818	0.5
154.07289	0.5
181.06519	1.0
182.06866	0.6
191.14352	1.1
213.09192	0.6
214.09467	0.7
221.06059	0.3
223.07541	0.9
241.08582	0.5
242.08961	0.9
245.06679	0.3
249.05597	0.5
251.06975	0.8
269.08255	0.4
271.10806	0.3
273.11273	1.3
274.11530	1.9
277.04807	0.4
295.05966	1.0
303.34644	0.3
313.06967	0.4
317.10928	0.7
318.10571	2.1
335.09232	0.6
383.13037	3.9
391.33533	0.3
497.10779	0.6
515.17334	100.0
516.17682	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1889
Annotation	Kadsuphilol G
Peak:m/z	Relative Intensity
63.79665	0.2
76.36876	0.2
79.60716	0.2
105.07015	0.4
109.10177	0.2
115.55966	0.2
118.05385	0.2
121.48675	0.2
127.44855	0.2
143.08537	0.2
147.08009	0.2
173.04208	0.3
176.58475	0.2
182.11615	0.2
277.92062	0.2
365.13638	1.0
383.14618	0.6
439.24533	0.3
515.18872	100.0
516.19208	8.7
516.26941	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41898	0.5
53.03949	0.8
55.01871	0.7
55.05497	1.4
57.03423	0.9
59.74794	0.5
61.47864	0.6
65.67446	0.5
67.05494	2.5
69.03422	2.3
69.04774	0.6
69.05596	1.8
69.06020	3.3
69.07056	0.9
71.04993	3.3
72.05342	0.7
73.02906	0.5
74.17558	0.6
79.05503	3.0
81.07061	11.6
83.04962	2.0
85.02907	3.4
86.03251	0.7
91.05489	4.2
91.07495	0.5
93.07057	3.5
95.04982	3.2
95.08625	4.8
97.02874	2.3
97.06562	0.9
98.03181	0.6
99.04447	1.0
103.05467	0.6
105.07030	3.7
107.04934	0.8
107.08582	3.9
109.06525	8.2
109.10159	0.8
111.04406	1.1
111.08082	1.6
117.07011	1.7
119.04986	0.8
119.08582	2.6
121.06505	1.6
121.10160	1.1
123.08073	4.3
125.06020	0.6
127.03882	0.7
128.06255	1.2
129.05479	1.0
129.06990	2.1
129.16548	0.6
131.08588	3.1
133.06511	1.4
133.10126	1.9
135.08044	1.8
137.05986	12.6
138.06253	0.6
139.07538	1.5
141.06999	1.8
142.07747	1.2
143.08568	3.5
145.06509	2.9
145.10107	3.1
147.08083	2.9
147.11678	0.9
147.20744	0.6
149.05971	1.0
149.09576	1.4
151.07538	1.2
155.08624	3.2
157.06465	0.9
157.10127	3.1
158.07184	0.5
159.08067	6.6
159.11646	0.9
161.06009	0.9
161.09631	2.2
163.07552	1.6
163.11105	0.6
165.05605	0.7
165.06958	1.3
165.09132	0.7
167.08562	2.4
169.06488	1.0
169.10143	2.7
171.04185	31.1
171.08058	2.7
171.11694	1.6
172.04947	5.8
173.05870	0.7
173.09590	2.8
175.07561	1.3
175.11133	0.9
177.09117	1.1
179.08586	1.6
180.09315	0.8
181.06508	0.7
181.10158	2.8
183.08017	1.5
183.11647	1.3
184.08861	1.0
184.80447	0.6
185.04201	2.4
185.05727	0.8
185.09621	2.2
187.07623	0.8
187.11160	1.7
189.09178	1.1
192.09294	0.9
193.10144	2.2
195.08054	0.9
195.11723	2.4
197.09581	1.9
197.13188	0.7
199.11130	1.1
200.08046	0.6
201.09073	1.6
201.12640	0.9
203.10632	1.0
205.10127	0.9
206.10963	1.1
207.11736	1.9
209.09610	1.5
209.13258	1.7
211.11143	2.3
213.09050	0.8
213.12781	1.7
215.14209	0.8
217.10187	0.7
217.12033	0.6
219.08159	0.8
219.10036	1.4
219.11906	0.8
220.08827	0.9
221.09653	1.6
221.13255	0.8
222.10341	0.7
223.11180	2.1
223.14848	0.8
225.09161	1.1
225.12703	2.0
227.10620	0.8
227.14313	0.9
229.12181	0.6
231.10086	1.1
232.12405	1.0
233.09608	0.6
233.13232	1.6
235.11197	2.5
235.14822	0.8
237.09117	1.0
237.12740	2.4
239.10712	1.5
239.14426	0.8
241.12437	0.6
245.13243	1.0
247.11185	0.7
247.14902	1.0
249.12808	1.1
250.13605	0.9
251.14369	4.6
252.14922	2.0
253.12183	1.0
253.15793	1.3
255.13683	0.8
260.11710	0.6
261.12958	0.7
263.10693	1.8
263.14282	1.0
265.12180	0.7
267.13840	0.8
269.11649	0.7
269.15277	0.8
275.14291	1.5
277.11929	0.7
277.15881	0.8
279.13782	1.0
279.17502	0.8
281.11703	2.0
292.18237	0.6
293.15350	1.2
295.13083	0.8
299.12735	0.8
299.65118	0.7
309.18375	1.9
321.14838	0.6
321.18286	0.7
327.19809	1.0
334.10223	8.3
335.10681	1.6
353.13699	7.8
373.17725	0.8
390.62814	0.6
391.18884	1.9
395.18283	0.7
401.17435	1.6
407.22278	6.8
409.20163	0.7
415.18842	0.9
419.18390	6.3
420.18817	0.7
425.23273	31.8
426.23560	3.0
427.21289	0.9
433.19797	1.1
435.21503	1.0
437.19223	7.4
438.19797	1.7
439.20627	1.1
439.25439	1.2
451.21088	1.9
455.19830	5.3
461.19476	1.4
469.22015	0.9
479.20724	1.7
497.21829	4.4
515.18756	100.0
516.18909	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47956	14.5
67.05503	22.5
69.07056	14.1
71.31726	25.1
79.05504	34.4
81.07070	41.2
91.05524	27.7
93.07074	30.2
95.08619	31.1
99.04482	86.3
105.07048	25.2
109.06541	16.6
113.06111	15.3
119.08614	33.1
120.47888	19.8
121.06393	16.5
121.21175	13.4
127.03924	24.6
129.66074	14.4
131.04962	16.3
131.08598	27.9
133.10143	21.1
135.08159	20.2
137.05998	55.0
145.10152	19.2
149.05902	22.0
149.09622	17.1
157.10196	21.0
159.08051	19.5
159.11761	17.0
161.05951	19.5
173.13156	15.3
185.13283	18.3
195.06563	88.6
197.05902	17.1
209.06015	23.4
212.04778	15.9
213.05527	18.1
241.04945	16.0
251.03503	33.0
251.07077	16.1
253.05025	18.3
255.06557	41.6
265.04779	16.2
266.05899	22.4
267.06625	19.1
268.03610	36.5
269.04544	27.9
279.06467	18.5
280.06946	17.6
281.08295	25.2
283.06027	36.5
287.09158	29.4
293.07901	20.1
295.06168	19.2
297.07605	100.0
300.06253	20.4
309.14862	17.4
311.05493	55.8
311.08948	26.3
312.06213	25.6
312.10074	20.7
313.07251	18.2
315.08673	64.2
323.09174	34.3
326.07901	62.5
342.10641	18.6
343.08069	52.2
353.10254	38.2
355.11670	65.0
373.12860	33.6
379.11740	33.4
385.13007	22.5
420.26062	15.8
422.75574	16.1
428.02472	15.1
439.24930	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93590	0.4
58.89083	0.4
69.03425	0.7
69.65124	2.0
69.65514	0.9
79.05469	0.8
81.03385	1.7
81.07041	0.5
83.08566	0.5
91.05463	0.9
93.07026	0.8
95.04957	0.4
95.08607	0.7
95.15068	0.4
98.22668	0.7
105.06998	0.6
107.08611	0.7
119.08546	0.6
145.10078	0.6
151.03911	0.6
159.67621	0.5
177.05481	0.5
193.12184	0.9
194.12552	0.7
221.11482	59.1
222.11795	1.8
229.06842	0.5
233.11850	0.5
240.87914	0.5
253.00830	0.5
268.16217	1.0
286.17319	0.9
317.08426	33.0
318.08688	1.1
324.12488	0.5
433.85651	0.5
448.70291	0.5
457.10504	0.5
515.20984	100.0
516.21234	7.4
520.95612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.3
55.01870	3.1
55.05513	6.0
55.07249	2.6
67.05498	7.9
69.03432	13.2
69.07069	6.3
71.31648	4.0
76.25760	2.3
79.05491	18.3
81.07057	100.0
82.07388	7.0
83.04987	4.4
91.05468	18.9
93.07047	19.5
95.04967	8.4
95.08613	27.3
97.02885	2.5
97.06521	10.4
99.04484	3.3
103.05451	3.0
105.03391	5.3
105.07036	17.1
107.04980	5.7
107.08626	13.5
109.02927	2.6
109.06525	42.7
109.10183	4.5
111.04446	2.9
111.08086	7.9
113.07344	2.4
115.05470	4.4
117.07030	9.1
119.04895	2.8
119.08598	10.7
121.06503	12.9
121.10139	4.7
123.08085	17.3
125.06033	3.1
126.02203	3.0
128.06259	3.9
129.07002	10.5
131.04892	4.2
131.08571	10.2
133.06511	11.5
133.10172	4.9
135.08061	6.6
137.05975	97.4
138.06306	7.5
139.07550	8.3
141.06995	6.3
141.50810	2.6
142.07764	5.8
143.08562	10.8
145.06499	63.8
145.07613	4.6
145.10127	6.9
147.07997	12.4
147.11777	2.6
149.05992	16.1
151.07529	5.9
153.07031	7.3
155.08528	12.6
157.06519	6.7
157.10124	18.0
159.08076	9.5
159.11681	4.7
161.06003	5.6
161.09627	7.9
163.07605	4.7
165.06998	7.1
167.08559	9.7
169.06474	5.3
169.10139	8.4
171.08029	23.2
173.09610	15.0
173.13306	2.8
175.07640	4.3
179.08614	7.4
180.09428	3.0
181.06541	5.8
181.08652	4.7
181.10139	11.6
182.07304	3.4
183.08083	18.8
183.11699	6.2
184.08867	8.7
185.09610	30.2
186.10384	7.2
187.02872	2.8
187.07574	8.9
187.11159	3.3
189.09215	5.6
190.07805	3.6
191.08556	4.5
192.09335	4.0
193.10211	8.9
194.10968	3.4
195.08012	12.0
195.11755	9.5
196.08827	4.9
197.09660	15.7
198.10161	3.2
199.07545	10.6
199.11256	8.0
201.09082	3.4
203.08577	4.8
203.10634	3.0
204.09355	5.5
205.10158	4.6
206.10918	4.4
207.08075	7.7
207.11688	8.4
208.08844	3.6
209.09648	11.9
209.13225	3.2
210.10394	4.9
211.07462	3.9
211.11131	14.9
211.14859	3.7
213.09117	4.5
213.12740	5.4
216.09343	5.5
217.10196	3.3
219.08124	3.3
219.11685	10.0
220.08812	7.1
221.09607	10.4
221.13309	7.5
222.10413	7.9
223.07597	5.2
223.11215	19.4
225.09142	4.4
225.12663	10.6
227.10791	5.9
227.14326	8.2
231.11665	8.2
233.09663	6.2
233.13235	6.5
234.10356	6.5
235.07529	5.1
235.11206	18.2
235.14909	4.5
236.11903	4.4
237.09091	5.8
237.12733	33.6
238.13387	3.6
239.10660	11.7
239.14334	8.3
240.11227	3.8
241.12270	4.5
244.12354	3.1
245.09689	3.4
246.10332	3.1
247.11223	16.1
248.12015	4.7
249.12679	16.6
251.10690	10.7
251.14401	9.2
253.12221	8.5
255.13870	11.3
259.11212	6.1
261.12747	7.9
263.10788	10.0
263.14429	8.1
265.12286	24.5
265.15811	4.9
266.12930	9.2
267.13858	9.2
273.12582	5.3
275.14130	3.4
277.12268	9.9
277.15933	8.2
279.13873	13.4
279.17029	3.0
281.12003	5.1
281.15390	5.9
283.10336	2.4
283.13281	58.4
287.12772	3.8
289.15894	8.4
291.13721	7.9
291.17252	5.0
293.15598	5.2
295.13306	10.2
295.16840	5.1
297.14993	4.5
301.15814	12.6
305.11682	6.7
305.15329	5.8
307.16699	12.4
309.14902	4.7
313.14362	5.5
317.15308	7.8
319.17029	8.0
323.12836	6.3
323.16446	6.3
335.16400	8.5
337.18167	3.2
341.13852	9.2
345.14944	3.1
353.17453	4.5
359.14813	14.5
363.19669	4.3
373.17917	4.4
375.19592	6.4
377.16882	6.1
381.17099	7.3
383.16162	2.8
385.17569	3.0
387.19202	3.7
389.21445	5.5
391.18933	11.5
393.20541	8.8
399.18130	30.4
401.17438	6.3
403.19019	30.5
404.19461	4.1
405.20459	8.7
415.19177	8.7
417.20450	9.8
419.18295	18.1
421.19977	43.2
425.17645	3.2
433.20151	23.0
437.18878	13.1
439.25195	4.8
441.39548	2.8
443.18472	4.2
451.21146	49.9
455.24634	6.8
461.19501	6.3
479.20337	12.3
497.21494	18.5
515.22766	86.4
516.22955	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2281
Annotation	11beta-Acetoxyobacunol
Peak:m/z	Relative Intensity
53.03931	2.7
55.01866	3.9
55.05494	4.6
57.07104	1.3
67.05510	11.0
69.03429	11.3
69.07069	2.2
71.04967	3.9
71.30855	2.5
79.05495	17.4
81.03425	3.9
81.07058	66.0
83.04982	3.0
83.08624	1.8
91.05482	19.4
93.07042	11.5
95.04958	11.4
95.08604	23.3
97.02881	10.9
97.06515	5.3
97.09217	1.4
99.04454	6.2
103.05524	2.1
105.07034	15.0
107.04934	4.6
107.08593	12.6
109.02895	2.4
109.06521	35.0
109.10147	1.9
110.93570	1.3
111.04440	4.9
111.08099	6.8
115.05477	4.1
117.07029	8.2
119.04970	3.2
119.08587	10.2
121.06506	7.8
121.10149	4.9
123.04443	3.8
123.08080	17.8
125.05991	2.7
125.09639	2.3
127.03904	1.9
127.37762	1.4
128.06209	6.9
129.06993	9.6
130.07739	2.3
131.04909	3.1
131.08582	11.7
133.06483	8.9
133.10118	6.2
135.04420	5.9
135.08026	9.5
137.05974	80.3
137.09660	2.0
138.06343	4.2
139.07556	3.4
141.06979	8.4
142.07745	3.5
143.08556	12.9
144.05702	1.7
145.06508	11.6
145.10138	9.1
147.04388	2.8
147.08049	14.0
147.11678	2.0
149.05960	4.9
149.09624	3.6
150.93671	1.3
151.07561	7.0
153.05501	1.7
153.06981	3.8
154.07773	2.4
155.08548	15.8
156.09315	1.6
157.06491	6.3
157.10120	10.1
158.07275	3.8
159.08049	14.5
159.11719	4.0
161.06003	4.9
161.09570	9.1
163.07553	4.4
163.11246	1.6
165.06976	7.7
165.09097	3.7
166.07671	4.2
167.07047	3.6
167.08568	10.1
168.09378	1.4
169.06494	3.2
169.10118	9.4
171.08051	9.7
171.11703	4.4
172.08751	3.0
173.05940	3.3
173.09612	11.6
175.07559	8.4
175.11153	3.5
177.09116	6.4
178.07765	3.0
179.07071	2.0
179.08548	8.1
180.09354	2.5
181.06557	2.5
181.08701	2.4
181.10083	11.9
182.07300	3.1
182.10670	1.3
183.08038	9.9
183.11624	5.7
184.08813	4.0
185.05975	3.3
185.09645	10.3
187.07539	3.3
187.11128	3.3
189.09103	6.8
189.12756	2.1
191.07001	3.1
191.08543	3.6
191.10687	2.4
192.09326	6.8
193.08534	4.6
193.10147	12.5
194.10909	2.6
195.08047	11.1
195.09801	1.4
195.11745	8.8
196.08734	2.7
197.05992	2.1
197.09595	9.0
197.13280	4.2
198.10234	1.8
199.07559	3.4
199.11165	5.0
201.09093	5.4
202.07780	2.8
202.09981	1.6
203.08536	5.7
203.10583	2.8
204.09367	3.0
205.10184	7.1
206.07161	2.0
206.10970	3.4
207.08112	3.5
207.09944	2.8
207.11778	8.7
208.08757	2.4
208.12492	2.2
208.55551	1.6
209.09618	8.5
209.13255	5.2
210.10376	2.1
211.07593	2.2
211.11244	10.3
213.09091	4.0
213.12714	3.6
215.08656	2.5
215.10594	3.1
216.09390	2.6
217.08391	2.6
217.10164	8.9
217.11963	2.0
218.10931	4.3
219.08066	5.0
219.11725	6.4
220.08844	5.4
221.09621	10.5
221.13254	6.1
222.10341	3.8
223.07669	1.9
223.11221	11.2
223.14751	3.6
224.11874	2.1
225.09079	4.6
225.12694	9.0
227.10670	4.3
229.08398	1.9
230.11050	2.1
231.08174	2.2
231.09985	2.7
231.11894	2.9
232.12509	2.9
233.09538	5.7
233.13245	5.8
234.10295	3.0
235.07529	2.1
235.11215	19.1
235.14815	3.4
236.11913	6.3
237.09071	3.8
237.12682	10.6
238.13541	1.9
239.10649	5.8
239.14278	4.5
241.12253	1.9
245.09610	9.3
245.13277	3.1
246.10394	5.7
247.11063	6.1
247.14857	5.1
249.09132	3.6
249.12772	8.7
249.16460	1.9
251.10655	5.9
251.14281	8.5
253.12326	8.7
253.15742	3.7
254.12772	2.9
255.13893	4.1
255.17427	2.0
257.13293	2.9
259.11380	3.3
260.11972	4.2
261.13010	6.8
262.13425	2.2
263.10672	12.9
263.14233	3.5
264.11206	3.1
265.08417	1.8
265.12256	6.3
265.15714	7.1
267.10046	2.2
267.13803	4.9
267.16971	1.7
269.11804	2.5
275.11411	1.3
275.14276	10.7
276.15082	3.2
277.12317	4.7
277.15582	2.8
279.13913	9.2
281.11703	9.3
281.14734	2.5
283.13321	2.8
285.12460	3.3
289.12283	1.8
289.15771	2.9
290.12985	1.7
291.13898	2.4
292.14584	1.7
293.15424	12.2
295.13351	3.7
295.16818	2.6
299.12729	4.0
303.13770	7.1
305.11841	2.5
305.15256	2.3
307.13330	1.9
309.15005	1.7
311.16147	4.2
313.15314	1.8
321.14911	7.7
323.12814	2.7
327.16910	2.9
335.16034	3.0
339.16156	7.0
345.14594	2.7
349.18109	1.6
357.16867	3.6
363.15652	2.4
373.17874	4.5
375.15506	1.9
377.17465	1.9
381.16922	5.0
383.16272	2.7
387.19455	1.6
391.19067	12.5
393.20660	4.2
399.17978	3.0
401.17508	10.2
403.19235	2.2
405.20529	1.6
407.18204	2.7
409.19595	10.2
415.18811	2.6
417.19699	3.5
419.18506	45.5
420.18530	4.0
421.23666	4.5
425.19241	2.8
433.20105	3.1
435.21545	8.6
437.19580	100.0
438.19955	12.1
439.25247	7.5
443.18375	5.0
449.19470	2.0
451.20691	3.4
453.22510	5.5
455.20584	62.3
456.20834	3.8
461.19644	14.9
462.19724	1.9
467.20688	2.2
479.20590	26.0
480.20908	2.2
497.21716	28.8
498.21799	2.2
515.22650	23.8
515.28577	4.3
515.35730	2.7
516.23816	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.8
57.07064	2.7
65.15497	2.0
67.05508	5.5
69.07082	7.4
69.14362	18.6
81.07067	5.6
83.04992	6.9
85.06544	5.2
88.99727	2.4
90.90966	2.1
91.05481	4.7
95.04910	2.7
95.08607	8.3
98.22620	4.4
105.07063	5.3
107.08607	4.9
113.06016	15.6
116.01078	2.4
117.07016	2.1
119.08566	5.7
121.10161	4.2
127.39063	2.2
131.08513	2.1
145.10123	3.0
157.10179	3.3
158.09068	2.5
167.07045	5.4
195.11734	2.5
197.05963	4.7
197.09673	2.5
212.04716	2.6
213.05450	3.4
225.05513	6.4
227.07002	2.7
229.04938	2.3
239.06985	3.8
239.10771	3.0
241.04945	3.9
241.08632	4.2
242.05757	3.9
243.06505	10.7
249.09201	5.5
253.04840	3.2
255.06464	5.7
263.10562	3.3
265.08688	3.2
265.12415	2.9
268.03796	3.3
268.07059	2.7
269.08136	4.8
270.05225	2.6
271.06024	7.1
277.08682	3.7
279.10226	6.6
280.07333	2.7
280.10715	2.8
281.11667	4.0
283.05939	8.6
283.09500	4.0
284.06610	4.2
285.07419	13.0
286.04794	3.7
286.07971	3.0
291.10077	6.3
292.10773	4.2
293.08099	3.3
293.11411	4.8
294.12524	5.4
296.14056	2.9
297.07556	9.2
297.11072	3.7
298.08310	14.7
299.05756	3.0
299.09134	8.4
301.07098	22.3
302.07858	13.9
307.09604	7.0
308.10400	12.3
309.11172	12.1
310.11847	4.6
311.09140	8.2
311.12561	4.4
312.09900	30.1
313.07162	3.6
313.10483	4.0
313.14227	3.4
315.08612	7.4
316.09375	49.3
317.10049	8.5
321.11227	4.7
322.12009	4.8
323.12656	26.4
324.13467	13.3
325.10568	7.1
325.14374	5.8
327.15839	3.8
328.09546	6.8
329.10309	15.9
337.14365	12.4
338.11414	3.2
339.12299	17.0
339.15729	3.6
340.12796	4.6
343.11783	28.8
353.13840	16.1
354.14584	30.9
355.15421	100.0
356.15765	7.4
367.15369	10.5
370.13818	6.0
385.16440	96.7
385.21500	4.4
386.16815	7.6
415.16531	4.2
469.22302	13.2
515.22235	5.6
515.30682	8.4
515.37964	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84795	0.3
53.03942	2.1
55.01854	1.3
55.05495	1.1
57.03437	3.4
57.07056	0.5
59.04984	0.4
61.02931	2.8
65.03930	0.5
67.03440	0.3
67.05500	1.8
69.02877	2.0
69.03427	23.2
69.07066	10.7
70.03786	0.3
70.06580	0.6
71.01327	1.1
71.04989	2.8
73.02916	2.0
73.03254	0.3
79.05480	1.8
81.03416	8.1
81.07056	2.6
83.01318	0.6
83.04979	4.3
83.08590	1.2
85.02904	45.3
85.06519	1.0
86.03246	0.7
87.04456	1.2
91.03947	0.9
91.05479	3.3
93.03378	0.4
93.07050	2.6
95.04961	1.3
95.08607	3.7
97.02887	12.9
97.06530	0.8
98.03162	0.5
98.23385	0.5
99.04450	3.4
105.07040	3.5
107.04947	0.7
107.08590	7.1
109.02879	5.0
109.06514	1.5
109.10118	1.0
111.04418	0.5
111.08091	2.7
115.03963	0.4
115.05428	0.4
117.07001	0.6
119.08572	3.8
121.06500	1.2
121.10135	4.4
123.04413	0.5
123.08064	2.8
125.09615	0.8
127.03914	12.2
128.06158	0.4
129.07007	0.5
131.08568	6.9
133.10121	5.9
135.08057	12.8
135.11632	2.1
136.08415	0.5
137.09566	0.7
143.08557	1.5
144.08095	0.4
145.04950	7.6
145.10118	3.1
147.11699	2.8
149.09636	3.9
149.13258	2.2
150.10345	0.5
158.10887	3.4
160.07588	0.5
163.06079	0.4
163.11180	0.4
163.14835	2.1
171.11624	0.5
173.13255	21.1
174.13547	1.0
175.14836	1.2
187.06049	0.4
191.14302	100.0
192.14642	4.5
209.15344	2.9
223.06010	1.1
241.07045	0.8
327.91260	0.4
335.18585	1.0
353.19733	0.6
370.62711	0.4
457.99640	0.4
478.39151	0.3
497.23535	1.0
507.47757	0.4
515.16821	1.3
515.24744	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.05507	1.4
55.59769	0.4
57.07074	0.5
60.75055	0.4
65.03945	0.4
67.05503	2.5
69.03429	1.2
69.07066	1.4
71.05020	0.5
79.05497	3.5
81.07056	11.2
83.04987	1.3
83.08624	0.6
85.06559	0.9
88.64080	0.4
91.05489	3.8
93.07043	4.9
95.04977	1.9
95.08601	4.6
96.18153	0.5
97.02888	0.9
97.06515	1.3
99.04453	1.7
105.03391	4.6
105.04512	0.8
105.07024	4.4
107.08591	4.0
109.06519	6.5
109.10167	2.3
111.04427	1.1
111.08077	1.7
115.05423	0.7
117.07035	2.6
119.04963	0.5
119.08576	5.8
121.06515	1.7
121.10139	1.9
123.04418	0.5
123.08074	3.7
123.11715	0.7
128.06238	1.1
129.07007	2.6
130.07849	0.6
131.08543	4.8
133.06468	1.4
133.10152	4.0
135.08101	1.7
135.11690	0.9
137.05972	13.5
137.09618	1.1
138.57271	0.4
139.07574	1.2
139.17659	0.5
141.06958	2.6
142.07779	1.7
143.08580	5.5
145.06493	1.1
145.10112	4.6
147.08058	3.2
147.11711	3.0
149.09634	1.5
150.28088	0.4
151.07593	0.6
151.11191	0.7
153.07057	0.5
154.07751	0.7
155.08549	5.3
156.09325	1.3
157.06447	0.4
157.10115	6.0
159.08096	2.1
159.11694	3.0
161.09631	2.1
163.07556	0.6
163.11232	0.6
165.07010	1.2
166.07770	0.8
167.08612	1.8
168.09390	0.5
169.10107	4.5
170.11008	0.6
171.08051	1.3
171.11673	3.6
173.09706	2.8
173.13326	1.4
175.07628	1.0
175.11205	3.0
179.08572	1.9
180.09348	1.4
181.10146	3.5
182.10907	1.0
183.08018	0.7
183.11699	3.6
184.07298	0.9
184.23381	0.4
185.09636	2.5
185.13274	1.6
187.11267	2.0
189.09097	1.2
189.12796	1.0
191.08578	0.9
192.09407	1.1
193.10069	2.8
194.10878	1.3
195.08080	0.5
195.11702	3.9
197.09677	0.6
197.13286	2.2
198.10451	0.6
199.11256	2.0
199.14867	1.0
201.12793	1.3
203.08679	0.5
203.14346	1.1
205.10155	1.4
205.12209	0.5
206.10895	0.6
207.10080	0.9
207.11734	2.6
207.13567	0.5
208.12296	0.7
209.09682	1.0
209.13248	3.5
210.13832	0.5
211.11177	1.7
211.14819	1.2
213.12753	1.5
213.16295	0.6
214.13162	0.5
215.14323	0.7
217.10207	0.7
217.12224	0.8
218.10844	1.0
219.11763	1.6
220.12430	0.9
221.09621	0.6
221.13333	2.1
223.11212	2.0
223.14822	2.5
225.12781	1.7
225.16437	0.9
227.10748	0.8
227.14374	1.0
229.12193	0.8
232.12541	0.9
233.13263	1.7
234.13969	0.9
235.11221	0.9
235.14932	2.5
237.12703	1.1
237.16374	3.1
238.17183	0.5
239.14314	1.8
239.18004	1.0
241.12350	0.5
241.15829	0.6
245.13252	1.2
247.11136	0.8
247.14890	4.1
248.15532	1.1
249.12997	0.6
249.16472	2.1
250.17007	0.6
251.14293	1.8
253.12384	0.8
253.16016	0.6
255.13977	0.7
257.15604	0.5
259.14813	1.0
261.12802	0.8
261.16394	1.0
262.13486	0.5
263.14297	1.4
263.18027	1.3
265.15826	5.9
266.16589	1.8
267.14081	0.7
267.17505	2.1
267.20779	0.5
275.14374	0.5
277.16061	1.1
277.19437	1.5
279.17508	1.2
281.15393	1.1
283.17010	0.9
283.20181	0.5
287.18060	1.1
289.15771	0.8
293.19040	0.8
295.17056	0.6
295.20590	1.5
303.17566	0.6
305.15512	0.5
305.19040	1.2
323.16531	0.9
323.19919	2.3
325.18048	1.2
341.17700	1.1
343.19241	0.7
371.22256	1.8
375.23264	0.7
379.18973	1.0
385.21716	0.7
393.24271	1.9
401.24719	2.0
403.22580	1.7
421.18109	0.7
421.23758	12.3
422.24069	1.4
435.25262	0.8
439.24811	100.0
440.25183	8.4
443.25974	0.9
451.25156	3.9
461.27286	3.0
469.25961	5.2
471.30875	1.3
479.28091	0.7
497.25208	1.1
515.26727	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.5
54.69525	1.4
55.01882	4.4
55.05513	8.6
57.03438	1.5
57.45120	1.4
63.23611	1.4
65.03929	3.2
67.05505	13.1
67.16415	1.5
69.03433	31.7
69.04475	15.7
69.07070	7.8
71.05001	5.8
79.05499	19.2
81.03419	1.8
81.07059	62.9
83.04990	5.6
83.08617	3.3
85.02922	1.9
88.94387	1.3
91.05481	25.9
93.07048	17.2
95.04980	18.5
95.08612	17.0
97.02894	9.1
97.06531	10.4
98.23367	2.9
99.04467	7.7
103.05484	3.0
104.33302	1.4
105.04518	1.4
105.07037	29.0
107.04954	3.8
107.08589	16.0
109.02898	1.8
109.06525	46.9
109.10171	6.6
111.04453	7.5
111.08102	17.6
115.05488	5.0
117.07041	10.3
119.04979	4.6
119.08589	27.7
121.06516	10.2
121.10117	8.6
123.04420	1.9
123.08069	17.5
123.11739	2.4
125.06030	3.7
125.09629	1.8
128.06261	6.4
129.07014	15.0
130.07803	2.7
131.04921	2.1
131.08580	19.9
133.06555	8.1
133.10126	23.4
135.08055	12.5
135.11737	4.4
137.05983	67.4
137.09619	4.3
139.07562	6.5
141.06995	11.2
142.07779	8.0
143.08565	28.6
144.09320	3.2
145.06503	11.5
145.10110	20.0
147.04472	1.7
147.08055	41.3
147.11710	6.0
148.08401	1.8
149.05966	4.3
149.09644	6.4
151.07582	4.8
153.05507	5.1
153.07027	5.5
153.09122	1.6
154.07759	3.6
155.08563	21.6
156.09355	5.1
157.06497	5.7
157.10136	22.7
158.07227	2.0
158.10973	1.8
159.04382	2.5
159.08066	14.5
159.11732	10.0
161.06004	7.1
161.09625	27.8
163.07556	5.9
163.11292	2.6
165.07024	8.0
165.09129	2.6
166.07822	4.2
167.07140	2.9
167.08591	12.5
168.09337	5.1
169.06509	1.8
169.10121	21.3
170.10942	2.2
171.04221	2.0
171.08002	10.6
171.11690	14.6
172.08810	2.7
173.06073	3.0
173.09631	18.6
173.13248	8.8
175.07576	8.2
175.11171	9.6
177.09167	6.1
178.07843	4.0
179.08517	10.2
180.09296	6.4
181.06525	2.1
181.10127	18.6
182.10931	3.5
183.08063	9.1
183.11671	13.5
184.12361	2.3
185.09578	12.0
185.13177	8.3
187.07567	3.7
187.11166	8.9
189.09116	16.4
190.07802	2.2
191.07005	3.1
191.08595	5.5
191.10704	2.2
192.09343	7.5
193.08635	4.2
193.10191	13.7
194.10907	4.9
195.08040	5.9
195.10138	2.7
195.11697	19.8
196.08794	2.6
197.05975	1.9
197.09613	8.1
197.13284	14.0
198.10378	2.5
199.07574	4.6
199.11140	9.7
199.14873	8.0
201.09160	4.8
201.12778	3.3
202.07770	3.5
203.08601	3.8
203.10686	2.2
204.09399	4.9
205.10152	6.1
205.12115	2.6
206.10918	4.3
207.08148	4.7
207.10197	59.0
207.11748	9.6
208.08817	3.5
208.12383	4.3
209.09625	11.6
209.13271	17.0
210.10422	4.7
210.13983	3.6
211.07626	3.6
211.11188	9.8
211.14771	11.9
212.11845	2.1
212.15611	6.2
213.09125	6.1
213.12782	4.7
213.16293	2.0
215.10716	5.0
215.14243	3.1
216.09355	4.7
217.10187	9.0
217.12180	3.5
218.10852	5.7
219.08163	2.8
219.11732	9.8
220.12415	3.7
221.09668	6.4
221.13286	14.1
222.10330	4.2
223.11226	12.1
223.14806	7.7
224.11893	2.2
224.15547	2.7
225.09225	3.2
225.12756	12.1
226.13400	2.2
227.10721	5.3
227.14261	22.6
228.15141	2.5
229.12221	3.5
230.10864	2.8
231.11749	4.8
232.08971	2.2
232.12534	3.0
233.09633	6.6
233.13402	8.9
234.10286	3.0
234.14175	2.6
235.11275	14.8
235.14897	6.2
236.11914	5.6
237.09114	3.8
237.12816	11.4
237.16435	5.6
238.13580	3.1
239.10681	6.7
239.14357	9.0
239.17990	3.6
241.12361	2.0
241.15837	2.9
242.10950	2.7
243.11778	3.7
243.13950	2.1
244.12524	3.8
245.09616	6.2
246.10565	2.8
247.11201	8.1
247.14835	10.6
248.11986	3.0
248.15617	2.7
249.12842	8.5
249.16447	4.3
251.10660	5.5
251.14290	13.0
251.18129	3.6
253.12315	11.1
253.16013	3.3
254.13014	3.2
255.13850	4.8
256.08444	1.9
257.13226	2.2
257.15558	2.8
258.14182	2.7
259.11432	2.6
259.14722	1.9
260.12054	3.3
261.12967	7.3
261.16357	3.5
262.13315	2.0
263.10760	9.8
263.14319	6.6
263.18018	2.7
264.11533	3.1
265.12268	6.5
265.15906	10.9
265.18521	1.9
266.16531	2.3
267.13852	6.4
267.17429	5.6
269.15405	2.5
273.12872	2.3
275.14313	9.4
275.17654	2.1
277.12317	5.6
277.15961	5.5
277.19525	4.3
279.13852	7.6
279.17279	3.6
281.11743	4.3
281.15448	3.2
283.13629	2.3
283.16852	3.3
285.12350	2.2
285.15076	3.8
287.14471	2.4
289.12375	2.0
289.15771	2.7
291.13672	2.0
293.15363	7.4
293.18683	3.3
295.13229	2.4
295.17319	3.3
295.20627	11.7
303.13263	3.0
303.16061	5.3
305.11954	1.9
305.15311	3.6
305.18976	2.8
307.17007	2.8
311.16333	3.7
317.18915	2.4
321.15085	7.7
321.18362	2.0
322.15289	2.0
323.16504	2.8
323.20114	6.2
335.16251	3.5
335.20016	3.1
339.15906	6.0
345.18637	2.8
347.16275	2.6
347.19995	2.6
353.17392	3.0
355.16391	2.1
357.16977	2.5
363.15750	4.1
363.19614	5.5
365.21323	2.0
371.22150	26.4
375.19519	4.5
381.20740	3.6
383.16489	2.4
391.18973	20.5
393.20541	5.4
399.22351	2.0
401.17386	7.6
403.18915	6.9
404.19385	1.8
407.18481	4.2
409.19992	31.5
409.24677	2.5
410.20782	2.0
413.17780	1.8
415.18604	2.0
419.18582	26.0
421.24387	50.2
422.20642	6.2
422.24841	4.7
423.21292	3.7
425.23618	2.4
427.21384	2.6
431.18668	3.3
433.19391	3.3
433.24222	3.6
435.21457	4.8
437.19553	73.0
438.19809	7.8
439.24976	100.0
440.25153	6.5
443.18121	3.7
449.19492	10.3
451.20630	6.3
451.25125	7.0
453.22369	3.5
455.19778	27.4
461.18805	11.7
467.20676	14.4
469.26294	2.6
479.20111	19.6
485.21594	3.8
497.20966	44.5
498.22086	5.2
508.40756	2.2
515.17786	2.3
515.22430	6.2
515.28107	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01880	2.7
55.05513	5.3
57.03447	1.6
57.07077	1.7
60.89817	1.2
61.02925	1.8
67.05503	10.4
69.03434	15.2
69.07072	5.6
69.08543	7.5
69.08945	2.7
71.05003	2.2
73.02933	6.1
79.05489	10.0
81.07056	27.0
82.14350	1.0
83.04987	7.9
83.08627	2.1
83.55360	1.0
85.06543	3.5
87.04498	1.8
91.05475	18.3
93.07049	18.9
95.04964	6.0
95.08613	15.1
97.02906	12.8
97.06534	6.8
99.04474	3.5
103.05483	1.6
105.07039	19.4
105.33579	1.1
107.04948	2.1
107.08588	12.6
109.06523	28.8
109.10126	6.6
111.04431	1.9
111.08079	6.6
115.03940	5.6
115.05479	2.4
117.07018	9.0
119.08581	19.3
121.06515	17.4
121.10152	8.6
123.08077	11.3
123.11703	1.6
125.05991	2.6
125.09662	2.2
126.02242	1.8
128.06256	4.6
129.06999	9.5
130.07881	1.4
131.04988	2.2
131.08583	13.2
133.06520	2.8
133.10150	11.7
135.08057	7.5
135.11731	2.6
137.05977	18.7
137.09639	3.6
139.07518	6.6
141.06982	8.3
142.07817	5.0
143.08565	25.0
144.09369	2.2
145.06520	4.9
145.10123	20.6
147.08046	9.9
147.11671	8.3
149.06024	1.5
149.09642	5.5
151.07533	2.2
151.11180	1.5
153.05589	1.7
153.07040	5.1
154.07855	2.3
155.08556	21.0
156.09299	6.5
157.06499	1.6
157.10132	22.6
158.10661	1.2
159.08005	5.9
159.11702	11.0
160.08730	1.4
161.09608	5.8
161.13264	2.0
163.11183	2.6
165.07022	3.9
165.09207	3.1
166.07819	3.9
167.07300	2.3
167.08546	10.0
168.09367	3.8
169.08708	2.5
169.10121	29.4
169.11481	1.6
170.10902	1.8
171.08107	3.9
171.11702	17.9
172.12305	1.3
173.09599	9.7
173.13264	6.2
175.07549	8.4
175.11241	4.4
177.09200	3.3
178.07819	2.1
179.08534	7.3
180.09348	4.7
181.10109	18.5
182.10921	4.0
183.08163	2.8
183.11685	15.7
184.12474	2.2
185.09645	6.6
185.13235	10.2
187.11201	4.1
187.14815	3.5
189.09155	2.4
189.12717	2.5
191.08589	2.5
191.10689	1.3
192.09412	5.4
193.10149	13.4
194.10970	4.7
195.11691	20.3
196.12447	5.0
197.09694	3.6
197.13251	16.6
198.13966	1.7
199.11255	3.9
199.14777	7.6
201.09100	1.5
201.12811	2.3
201.16472	1.9
202.17342	1.2
203.08655	2.6
203.10672	2.5
205.10161	7.0
206.10939	3.4
207.08290	1.4
207.11699	13.2
208.12521	4.5
209.09729	4.3
209.13258	19.4
210.14044	2.2
211.11269	4.0
211.14803	14.3
212.15575	13.6
213.09177	1.8
213.12816	4.5
213.16359	2.7
215.10722	2.0
217.10298	2.6
218.10797	2.7
219.11725	7.2
220.12483	3.6
221.09641	2.2
221.13258	11.6
222.13879	1.7
223.11214	5.3
223.14812	12.1
223.16684	1.4
224.15627	3.7
225.12729	6.7
225.16399	5.9
227.14299	7.5
229.10335	1.4
229.12364	1.9
229.15944	3.4
230.11099	2.5
231.11903	2.5
232.12534	4.8
233.13280	7.5
234.14105	3.0
235.11232	3.0
235.14764	9.3
236.15587	3.3
237.09169	2.0
237.12776	4.2
237.16408	14.0
239.10625	1.6
239.14366	6.1
239.18031	5.2
241.12373	2.8
241.15987	1.8
242.16751	5.0
243.11790	2.2
244.12236	1.4
245.13312	4.3
247.11176	2.1
247.14815	11.7
248.15555	2.3
249.12816	2.2
249.16521	5.2
250.13763	1.5
250.17104	1.4
251.14349	6.3
251.18039	5.4
252.14981	2.0
253.15909	5.7
253.19553	3.7
255.17508	2.7
257.13315	1.4
259.14862	3.3
261.12778	2.0
261.16486	4.6
262.17126	1.4
263.14255	3.7
263.18018	3.1
264.14963	1.4
265.12836	2.6
265.15979	15.5
265.19391	5.5
266.16534	1.3
266.20309	4.3
267.14130	1.1
267.17575	4.8
267.21194	9.8
268.14569	1.4
269.15579	1.4
273.16537	1.6
275.14737	1.6
275.18143	3.3
276.18625	1.5
277.12759	1.2
277.16037	3.8
277.19635	8.4
279.14130	2.6
279.17502	5.1
281.15558	3.3
281.19186	4.4
287.17966	1.2
289.15939	2.4
289.19476	2.1
291.17584	2.2
291.20889	1.5
293.15591	1.5
293.19064	3.2
293.22549	1.6
294.19824	1.9
295.17242	1.7
295.20474	13.6
296.21063	1.2
297.18561	3.7
301.15970	1.7
305.15622	2.3
307.16986	4.9
307.20663	3.3
309.18872	2.1
309.22229	3.2
311.23593	9.2
313.15860	1.2
317.19025	2.8
319.20584	2.5
323.16492	1.6
325.18094	4.7
325.21735	1.8
332.54211	1.2
335.20187	3.3
337.21658	8.4
349.21545	2.4
355.22693	33.3
356.23184	1.5
359.18933	3.7
367.15485	1.8
371.22385	1.6
373.17813	1.7
375.23468	1.8
387.18393	1.9
391.22937	1.6
409.23990	3.5
413.23398	1.6
415.18945	2.0
417.24237	3.4
419.18256	8.7
421.24002	5.5
427.24918	11.8
433.19498	5.6
435.25610	4.9
437.18436	1.8
437.23380	5.4
438.23502	1.6
439.24844	88.8
440.24997	8.0
451.25064	4.2
455.24316	100.0
456.24640	7.4
457.22391	3.8
461.23373	4.9
469.20627	2.6
469.26910	5.8
471.27423	18.9
479.24927	10.7
497.25562	43.9
498.26035	4.2
515.26556	71.7
516.26721	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.4
54.77942	1.0
55.05519	2.7
59.04995	1.0
67.05499	4.8
69.03419	4.4
69.07071	2.8
69.26557	1.7
69.26965	6.0
71.05010	1.9
79.05501	8.4
81.07056	20.1
83.04985	3.1
83.08618	1.3
91.05482	13.3
93.07063	9.2
95.04974	9.1
95.08621	6.7
97.02892	3.7
97.06525	5.2
99.04450	5.4
103.26993	1.2
105.07034	15.0
107.08591	5.6
107.66313	1.2
109.06526	18.2
109.10178	3.2
111.04449	2.8
111.08094	5.7
115.05447	2.5
117.07030	7.3
119.08585	16.2
121.06538	2.2
121.10132	5.6
121.10908	1.0
123.08064	5.7
128.06264	4.0
129.07021	9.2
130.07750	1.2
131.08557	10.8
133.06485	2.4
133.10143	13.0
135.08070	3.2
135.11720	1.8
137.05980	17.3
137.09625	3.7
139.07578	3.0
140.08440	1.1
141.07004	4.7
142.07791	4.2
143.08582	15.7
144.09377	1.1
145.06499	2.0
145.10101	8.5
146.07259	1.2
147.08041	24.9
147.11710	3.9
148.08357	1.8
149.09616	3.6
150.17413	1.3
153.05502	1.9
153.06935	1.3
155.08582	10.2
156.09322	2.3
157.06538	1.7
157.10114	13.9
158.10785	1.4
159.08046	1.7
159.11681	6.3
161.09627	20.2
161.13362	1.3
163.11157	1.2
165.07016	2.3
165.09109	3.5
166.07698	2.0
167.08568	6.5
168.09297	2.2
169.10121	10.6
170.10794	1.5
171.08131	2.1
171.11655	7.9
173.09622	4.3
173.13287	3.3
175.07558	5.0
175.11174	2.6
176.16917	1.0
177.09149	2.0
179.08580	5.5
180.09340	2.9
181.10141	10.3
182.10869	2.4
183.08000	1.7
183.11662	9.2
185.09572	4.6
185.13298	5.2
187.11215	3.0
189.09106	10.7
191.08630	2.1
192.09309	2.9
193.08580	2.4
193.10185	4.8
194.10902	2.3
195.08122	1.5
195.10085	2.1
195.11736	10.0
196.12282	2.4
197.09651	2.7
197.13234	7.3
199.11160	3.2
199.14824	7.7
201.12744	4.0
205.10156	2.2
206.10846	2.1
207.10133	43.5
207.11661	4.1
208.10559	2.7
208.12410	2.0
209.09656	3.0
209.13249	8.8
210.14037	2.9
211.11206	2.7
211.14836	5.2
212.11838	1.1
213.12766	3.4
215.14256	1.6
218.10739	1.2
219.11810	2.4
220.12547	1.8
221.13298	6.1
223.11259	2.7
223.14691	5.4
225.12729	6.3
227.14317	11.7
228.15068	5.6
229.12354	1.6
231.11710	2.8
232.12393	1.5
233.13379	2.1
235.14801	2.2
237.10985	1.4
237.12985	1.8
237.16389	3.4
238.13516	1.4
239.14279	4.6
239.17969	2.0
241.15929	2.7
243.13918	1.8
245.13295	1.3
247.14835	4.7
248.15340	1.9
249.12747	1.6
249.16367	3.2
251.14293	3.0
251.17905	1.8
253.15883	1.8
257.15378	2.5
261.12775	1.3
261.16376	2.4
263.18048	2.5
265.15881	4.9
267.13760	3.0
267.17456	4.7
267.20926	1.3
268.17865	1.6
275.17899	1.7
277.16022	1.8
277.19531	4.2
279.17499	2.0
285.14905	5.1
287.18192	1.6
295.20560	4.2
303.15848	6.0
305.15512	2.4
305.19168	2.9
319.20572	1.7
323.20059	2.7
341.17535	2.0
371.21936	2.3
381.20557	1.5
393.24530	2.0
399.21747	1.4
403.22797	2.5
409.23950	1.6
417.24261	1.4
421.23730	56.0
422.24280	6.7
423.24887	2.4
433.23761	4.0
435.25241	3.2
439.24808	100.0
440.25330	7.7
451.24924	8.8
453.26669	1.6
461.23325	4.0
469.25757	5.1
479.24283	5.2
497.25491	7.3
515.19226	4.0
515.26050	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01899	0.9
55.05506	3.8
57.03428	1.0
65.03931	1.4
67.05511	8.6
69.03432	3.9
69.05521	8.3
69.07063	1.0
71.04993	1.1
72.64291	0.8
79.05499	7.5
81.03419	2.3
81.07069	4.7
83.04985	9.7
85.02903	1.1
91.05483	12.3
93.07042	10.5
95.04971	7.5
95.08601	8.4
97.02888	3.2
97.06542	2.1
98.97606	1.0
99.04426	1.1
103.05486	2.0
105.07034	19.2
107.04942	1.1
107.08587	7.4
109.06516	4.4
109.10152	2.0
111.04436	5.9
111.08086	2.9
113.06026	1.8
115.03909	1.8
115.05466	2.9
117.07041	3.4
119.04946	2.4
119.08569	12.0
121.06506	7.0
121.10137	1.3
123.04457	1.2
123.08054	4.8
128.06235	3.5
129.07007	9.5
130.07813	1.9
131.08565	13.3
133.06482	3.3
133.10133	7.8
135.04427	1.0
135.08072	3.4
137.05986	1.8
139.07585	1.5
141.06995	5.3
142.07785	8.3
143.08569	10.8
144.09329	1.8
145.06494	3.4
145.10146	9.0
146.10533	1.1
147.08054	7.1
147.11714	5.1
149.09616	2.3
153.07034	2.1
154.07767	1.4
155.08574	10.7
156.09360	2.2
157.06451	2.1
157.10126	12.8
158.07275	2.3
159.08040	8.6
159.11681	4.4
160.08748	1.8
161.06001	1.8
161.09636	6.4
161.13264	1.3
165.06975	6.5
166.07829	2.5
167.08534	4.6
168.09331	1.3
169.06451	1.3
169.10143	7.3
170.07329	1.7
170.10976	1.2
171.08070	8.2
171.11716	2.7
172.08855	1.7
173.09636	8.0
173.13231	1.5
175.07579	1.6
175.11185	8.8
177.09100	0.9
178.07791	1.5
179.08565	4.2
180.09357	6.3
181.06506	0.9
181.10141	5.6
182.10905	2.4
183.08055	4.0
183.11774	6.2
185.06015	2.6
185.09610	8.4
185.13268	1.3
187.07530	3.3
187.11169	3.1
189.09128	2.7
189.12645	0.9
190.07634	1.0
191.08464	1.4
192.09337	3.8
193.10143	6.1
194.10872	1.7
195.08014	2.1
195.11690	14.9
196.08847	1.9
196.12392	1.1
197.09621	5.1
197.13260	4.4
198.10458	1.1
199.07510	2.1
199.11162	5.5
199.14963	0.8
200.11870	1.1
201.09103	5.1
201.12729	1.4
203.08797	1.6
203.10690	7.9
203.18024	1.6
205.10172	2.8
206.10886	1.9
207.11671	4.7
208.08888	3.9
209.09601	4.1
209.13283	2.9
210.10394	2.3
211.07611	1.0
211.11147	5.6
213.09079	2.4
213.12752	6.1
215.08603	1.2
215.10675	1.5
216.09363	1.0
217.10132	2.9
219.11792	3.1
220.08818	1.1
221.09682	1.6
221.11665	5.7
221.13492	1.3
222.10271	1.7
223.11156	15.1
224.11900	1.7
225.09087	2.5
225.12746	9.2
227.10507	1.9
227.14264	1.9
229.10120	1.9
229.12227	1.2
230.10947	2.1
231.11716	1.8
232.12415	1.3
233.09698	1.2
233.13304	2.2
234.13965	1.3
235.11212	6.7
235.14740	2.0
236.11887	1.3
237.12747	3.1
239.10597	5.9
239.14252	1.2
240.11353	1.7
241.12251	17.9
242.12721	1.1
243.11687	2.7
243.13867	1.9
244.12476	1.5
245.09552	1.4
245.13219	1.8
246.14005	1.4
247.11186	2.7
247.14751	2.5
248.11966	1.6
249.12798	2.7
251.10748	4.8
251.14502	1.8
253.12299	4.3
256.12247	1.1
257.13284	1.0
259.11163	1.9
259.15030	1.7
260.11890	2.3
261.12738	3.5
261.16302	1.0
263.10672	1.2
263.14310	2.8
263.59439	1.0
265.12320	1.1
270.13974	1.0
271.11053	1.4
271.14740	1.1
272.12027	1.6
273.12747	1.3
273.16464	1.2
275.14218	1.9
277.12207	1.2
277.15903	1.9
279.13898	1.0
281.15649	1.1
283.14886	1.5
286.13525	1.4
287.14267	2.4
289.12238	1.5
289.15787	1.5
291.17276	1.2
293.15298	1.4
294.13873	1.1
301.15732	3.2
303.13782	2.6
303.17218	1.3
305.15308	2.5
305.18869	1.0
311.14420	2.1
315.14053	1.2
315.17642	1.6
316.18317	1.4
319.16821	1.8
325.15997	1.2
327.13574	1.1
329.15305	3.1
331.16870	1.6
333.18500	3.2
339.17282	1.3
341.17657	1.6
343.16913	1.5
347.16364	1.6
351.19479	1.2
355.20782	1.2
361.18158	1.4
365.17749	1.2
369.22067	1.2
379.20013	1.1
383.20047	1.5
387.23215	1.3
389.25009	1.6
397.21713	5.0
398.22180	1.1
399.23169	1.1
401.21259	1.3
403.18945	3.0
407.20047	1.8
415.22693	10.1
416.22980	1.0
417.24182	3.7
419.22131	1.8
421.20071	1.4
425.21161	6.2
433.18369	1.4
433.23773	10.9
435.25354	1.1
443.22186	30.8
444.22351	2.8
451.24808	1.9
461.23227	100.0
462.23611	11.0
479.24295	32.7
480.24490	3.7
497.25128	2.3
515.26971	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.1
55.05509	13.9
55.11636	2.4
56.72343	2.4
59.04997	2.6
65.18727	2.6
67.05507	20.6
68.05835	2.2
69.03426	8.3
69.07074	5.7
71.05013	4.7
71.29021	2.9
79.05497	20.1
80.05880	3.6
81.03430	5.3
81.07054	24.8
83.04981	28.3
83.08615	2.8
85.26086	2.4
91.05477	35.8
93.07044	40.5
95.04978	11.7
95.08607	41.1
97.06559	7.1
99.04414	3.6
105.07027	38.0
107.04969	8.8
107.08599	19.7
109.02898	3.7
109.06511	19.4
109.10150	6.5
111.04456	21.8
111.08080	16.1
113.06020	2.7
115.05477	3.8
117.07009	11.4
119.08580	45.5
119.09431	2.3
121.06525	21.4
121.07306	3.4
121.10150	10.4
123.08055	11.5
125.05990	6.5
128.06192	11.8
129.06996	15.4
130.07809	4.4
131.08568	24.0
133.06508	9.8
133.10123	21.7
135.04428	17.8
135.08072	9.7
137.06009	10.1
137.09692	3.1
139.07561	13.5
141.06982	9.2
142.07816	8.6
143.08556	31.1
145.06506	8.5
145.10104	31.9
147.08080	13.0
147.11691	21.0
149.05994	3.2
149.09659	7.3
153.05484	4.5
154.07756	5.8
155.07347	2.8
155.08536	17.8
156.09389	8.2
157.06538	6.8
157.10115	28.3
158.10768	3.4
159.08066	13.0
159.11671	16.4
161.05954	4.7
161.09627	15.2
163.07518	4.5
165.07008	6.8
165.12701	2.9
166.07748	4.4
167.07161	3.8
167.08560	8.8
168.09367	3.7
169.10104	17.4
170.10881	6.6
171.08083	16.6
171.11707	18.5
173.09645	17.7
173.13251	4.9
175.07584	7.0
175.11215	10.9
177.09134	5.1
179.07031	6.5
179.08606	8.5
180.09427	3.5
181.10129	14.0
182.10954	7.7
183.08034	6.1
183.11655	18.3
184.12437	4.1
185.05928	12.7
185.09656	10.3
185.13300	6.7
187.07603	2.8
187.11258	11.4
187.14778	3.9
189.09065	23.7
191.10722	4.5
192.09404	4.8
193.10139	12.4
194.10936	6.8
195.08109	5.1
195.10129	2.7
195.11707	15.7
196.08789	3.7
196.12450	8.4
197.09625	10.1
197.13263	16.5
199.07596	8.2
199.11182	10.2
199.14868	7.2
201.09087	4.1
201.12758	4.7
203.08508	3.6
203.10577	2.7
205.10208	6.9
205.12186	5.0
206.10938	6.3
207.11801	13.5
208.08830	4.6
208.12500	5.6
209.09654	10.7
209.13293	14.7
209.27386	2.4
210.10338	6.4
211.07530	2.7
211.11188	11.5
211.14861	7.9
213.09398	2.9
213.12758	8.8
215.10664	3.0
215.14401	3.0
217.08472	14.6
217.10432	4.1
217.12195	5.7
218.10869	5.0
219.11664	8.4
219.13680	5.5
220.12393	3.1
221.13284	16.1
222.10516	2.5
223.11198	12.3
223.14841	3.4
224.11852	5.3
225.09177	6.2
225.12823	10.1
227.10794	3.5
227.14368	11.4
229.10205	3.9
229.12259	3.7
230.10966	5.0
231.11682	5.9
232.12460	5.9
233.09686	6.1
233.13283	9.6
234.10371	3.9
234.14023	4.5
235.09377	3.6
235.11400	5.3
235.14853	6.6
236.11844	6.0
237.12814	10.7
239.10718	6.0
239.14302	32.0
241.12363	3.9
243.11691	4.1
243.13887	3.3
244.12509	3.4
245.09607	4.0
245.13289	7.7
245.15475	5.0
246.10464	6.0
246.13979	3.4
247.11169	8.9
247.14893	6.0
248.11909	6.4
249.12808	8.7
249.16437	4.2
250.13647	3.8
251.10738	6.7
251.14420	3.7
251.18120	3.0
253.15736	3.3
255.13828	3.8
257.15552	12.4
258.13947	3.1
259.11069	4.6
259.15012	5.8
260.11786	3.2
261.12659	11.9
262.13553	4.1
263.10815	4.4
263.14322	8.4
263.18158	3.0
264.14954	3.2
265.15793	5.9
267.13824	4.3
271.11157	3.9
273.12613	4.9
273.16510	4.4
274.13507	4.1
275.11063	2.3
275.14313	11.6
275.17661	2.9
276.15103	3.6
277.12195	4.5
277.15887	7.6
279.13928	5.9
279.16919	2.5
286.13434	4.8
287.14410	3.9
288.11075	3.0
289.12418	6.3
289.15945	8.2
290.12604	4.2
291.13901	6.3
291.17297	3.0
293.15372	4.1
299.14413	3.9
301.12442	3.8
301.15891	8.5
303.13812	9.1
303.17493	6.9
305.15363	5.8
305.18835	4.0
309.18457	3.9
311.14383	3.2
315.17596	3.0
316.18182	2.9
319.16800	4.2
321.14871	3.9
321.18512	3.9
323.16141	4.3
327.17542	2.7
329.15329	7.0
329.18893	3.9
331.16751	2.9
333.18439	4.5
344.17703	3.7
347.16403	5.4
349.17920	4.3
351.19702	5.5
362.18713	3.5
365.17719	4.5
369.21066	5.5
387.23132	3.6
397.21518	6.1
403.18942	3.2
405.24374	3.7
407.19891	3.0
415.22592	20.1
417.24631	5.3
425.21237	17.5
426.21481	4.2
433.23523	13.7
443.22055	59.4
444.22519	5.3
451.24847	9.7
455.22363	5.2
461.23135	100.0
462.23611	16.4
473.23331	3.8
479.24173	60.9
480.24573	5.0
487.24451	2.6
497.25067	25.5
498.25455	8.2
515.24030	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.01868	2.8
55.05507	2.8
56.48865	1.5
58.38165	1.3
59.05000	2.8
63.20982	1.1
64.27681	1.2
65.03934	1.6
66.74902	1.3
67.05169	1.3
67.05501	8.2
69.03442	6.8
69.07059	3.1
69.11131	3.3
69.11533	7.3
71.04971	1.2
75.98571	1.2
79.05484	9.9
80.15776	1.3
81.03415	2.1
81.07058	14.9
81.46519	1.2
83.04962	3.6
91.05482	24.0
93.07043	17.0
95.04968	5.4
95.08604	12.4
97.02930	2.3
97.06522	3.1
103.05457	2.0
105.03374	1.3
105.04475	1.7
105.07033	17.5
107.04944	2.5
107.08595	13.5
109.06520	8.5
109.10168	4.1
111.04426	3.3
111.08105	3.5
115.05454	2.7
117.07028	8.8
119.04962	2.5
119.08583	20.7
121.06509	9.6
121.10155	4.2
123.04404	2.1
123.08081	5.9
123.11660	1.9
125.06073	1.8
128.06232	5.9
129.07034	9.2
129.94051	1.4
130.07832	2.4
131.08585	13.5
131.87303	1.2
133.06488	3.7
133.10124	10.9
135.08075	12.9
135.11697	2.5
135.77133	1.1
137.05975	8.3
137.09621	1.6
139.03882	1.8
139.07579	2.3
141.07013	3.9
142.07794	3.9
143.08583	15.8
145.06488	9.9
145.10132	14.2
147.08054	26.5
147.11739	3.0
149.05954	3.4
149.09618	2.8
149.13269	1.7
151.07605	2.3
153.07025	2.1
154.07689	1.5
155.07220	2.3
155.08559	8.6
156.09294	2.3
157.06509	3.6
157.10132	12.5
158.07298	4.1
159.08041	16.0
159.11705	4.7
160.08759	2.0
161.06018	2.3
161.09630	15.4
161.13260	1.5
163.07530	3.5
165.05681	1.3
165.06998	5.7
165.09166	4.6
166.07700	1.9
167.08553	5.0
168.09354	3.7
169.10144	9.2
171.08029	12.1
171.11688	6.3
172.08798	1.8
173.09601	11.7
173.13313	2.1
175.07597	5.3
175.11192	5.5
177.09174	6.1
178.07814	3.2
179.08528	5.9
179.10732	1.5
180.09314	3.3
181.06537	2.5
181.10162	8.0
182.10829	2.4
183.08075	6.3
183.11620	6.0
185.09634	13.9
185.13235	4.6
186.10239	1.3
187.07529	17.9
187.11176	5.1
189.09137	5.7
191.10541	2.1
192.09306	2.2
193.08609	2.4
193.10106	7.4
194.10847	3.0
195.08086	6.3
195.09998	1.3
195.11676	8.3
196.08885	4.5
196.12540	1.3
197.09561	6.6
197.13266	5.7
198.10353	1.5
199.07524	3.9
199.11185	5.0
201.09119	6.5
203.10645	4.0
203.14276	1.4
204.09236	1.7
205.10211	2.7
205.12186	1.6
206.10945	2.6
207.08157	2.1
207.11684	5.9
208.08801	2.9
208.12411	1.7
209.02817	1.4
209.09599	6.7
209.13243	4.0
210.10254	2.4
211.07527	2.3
211.11179	11.9
211.14859	1.9
212.11906	1.4
213.09152	3.3
213.12772	7.8
215.14275	2.5
217.10188	1.7
218.10812	1.8
219.08102	2.4
219.11685	3.4
220.08884	1.8
220.12506	1.8
221.09596	4.9
221.13255	3.9
222.10440	4.8
223.11179	11.3
224.08229	1.8
224.11900	2.4
225.09163	3.2
225.12759	8.4
226.09821	1.5
226.13191	1.5
227.10704	4.3
227.14279	3.7
229.10278	2.2
231.11761	1.8
233.09531	3.1
233.13411	1.9
235.07570	1.8
235.11259	6.2
235.14764	2.2
237.09129	1.9
237.12733	13.4
239.10692	12.1
239.14348	4.0
241.12245	8.0
243.13925	3.2
245.13161	3.1
246.10333	2.1
247.11246	2.8
248.12057	1.6
249.12701	5.2
250.13428	1.5
251.10719	3.4
251.14305	4.6
253.12213	5.7
253.15901	2.3
255.13838	3.9
257.15567	1.5
258.10446	1.5
259.11191	2.6
260.11716	2.1
261.12762	5.4
262.13507	1.5
263.10480	2.0
263.14285	3.3
265.12259	5.0
265.15958	2.1
266.12769	1.3
267.13831	3.5
269.15341	1.8
273.12729	2.0
275.14255	3.1
277.12363	2.8
277.15732	2.6
279.13885	6.6
281.15430	3.1
283.13370	5.6
287.14304	1.9
289.12201	1.6
291.13489	1.3
293.15393	1.7
295.13580	2.4
295.16818	2.4
297.15070	1.7
301.15878	2.2
305.18945	1.3
315.13797	1.3
317.15213	1.8
327.17612	1.6
329.18604	1.5
359.14771	2.2
365.18393	1.8
379.20645	2.5
385.17612	1.6
387.23102	2.0
397.21588	7.8
399.19510	2.3
401.21118	1.8
403.19019	3.4
415.22787	16.4
417.20026	3.2
421.19937	8.4
425.21088	9.0
433.23950	8.6
439.21176	5.2
443.22189	20.9
444.22357	1.5
461.23215	32.1
462.23413	2.8
479.24271	100.0
480.24646	10.4
497.25320	24.3
498.25351	2.7
515.26239	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.6
55.01866	11.9
55.05517	28.3
57.07070	6.8
67.05499	39.5
69.03423	13.3
69.07062	12.0
71.04974	15.5
79.05503	27.0
81.03428	7.0
81.07063	52.8
82.07451	4.9
83.04978	42.4
85.06582	15.0
87.04459	6.1
90.69955	5.4
91.05481	66.8
93.07041	100.0
95.04967	28.8
95.08607	91.4
97.02896	5.7
97.06511	16.8
97.16778	5.0
99.04433	10.9
103.05482	9.5
105.07034	68.1
107.04965	12.1
107.08590	56.6
109.06499	21.2
109.10138	19.8
111.04440	24.6
111.08086	24.1
115.05462	11.6
116.06142	5.6
117.07015	19.5
119.04897	7.4
119.08578	74.6
121.06498	61.5
121.10144	44.9
123.04378	6.7
123.08071	34.4
125.05984	7.4
125.09692	6.2
126.10018	6.3
128.06209	13.1
129.06996	16.5
131.08546	49.0
131.88976	5.0
132.05692	6.9
133.06473	7.9
133.10115	46.9
135.08043	26.0
135.11722	15.3
136.24518	5.0
137.06001	8.1
137.09532	13.7
137.66486	5.1
139.07558	16.9
141.06999	13.8
142.07800	13.2
143.08569	52.5
145.06541	8.9
145.10075	51.0
147.08006	39.6
147.11678	24.4
149.09608	23.0
151.11214	8.0
153.05418	6.3
155.08548	33.8
156.09280	7.0
157.10133	44.5
159.08061	37.6
159.11699	35.2
161.09627	32.1
161.13242	9.1
163.07536	18.6
163.11169	8.8
165.06952	11.3
167.08527	8.9
169.10127	21.7
170.10841	8.6
171.08058	9.1
171.11635	31.1
173.09575	31.5
173.13255	29.3
175.07507	25.1
175.11154	23.1
177.09154	16.7
179.08597	15.0
180.09308	8.2
181.10089	26.2
182.10872	8.0
183.08096	11.6
183.11679	31.3
185.09618	21.5
185.13243	22.0
186.10133	8.3
187.07582	7.2
187.09656	7.9
187.11172	20.8
189.09183	7.2
189.12709	25.4
191.14349	6.3
192.09227	6.8
193.10158	15.3
194.10622	7.1
195.11758	18.8
196.12259	6.6
197.09642	12.8
197.13304	29.8
199.11169	31.2
199.14865	10.8
201.09125	10.7
201.12726	44.5
203.10609	11.9
205.08614	10.2
207.10008	9.0
207.11742	16.1
208.10535	8.6
209.09601	8.3
209.13321	14.6
210.47931	6.0
211.11093	11.7
211.14815	14.0
213.12761	18.3
215.14255	18.9
217.12190	27.2
219.11862	10.0
219.13759	47.0
221.13240	19.6
223.11096	14.9
223.14845	12.0
224.11908	7.2
225.09230	7.4
225.12746	20.8
225.16399	10.1
227.14409	12.1
231.11774	8.7
231.13805	10.9
233.13210	9.0
233.15332	13.8
237.12701	11.3
239.14275	10.3
241.12267	7.5
243.13812	22.0
245.15396	14.1
249.12776	8.2
255.13849	6.7
257.15356	8.8
261.14865	20.8
265.15784	7.6
277.15860	7.2
277.19394	7.0
283.17084	8.2
295.17169	7.2
309.18216	7.6
329.10083	13.4
385.12604	7.6
401.25107	9.2
403.22803	10.2
419.25818	19.4
421.23822	15.5
433.27435	11.1
435.29031	15.7
437.26868	14.1
439.24710	22.3
443.25992	14.1
451.28409	18.7
461.27505	38.6
479.28189	57.7
497.28552	17.8
515.22992	17.4
515.30341	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.3
55.01863	1.6
55.05512	5.3
59.04984	2.2
66.86123	1.4
67.05511	11.8
68.45395	1.3
69.03424	5.1
69.07056	6.2
70.02296	4.0
77.03939	2.2
79.05492	6.8
81.03409	1.8
81.07053	10.8
83.04980	5.0
83.08605	2.3
85.02885	1.6
85.06540	2.8
91.05482	19.9
92.05844	1.4
92.16837	1.4
93.07039	32.4
95.04977	7.6
95.08608	23.0
97.06541	2.4
97.10144	1.4
99.04449	1.4
103.05476	4.6
105.07022	16.1
105.90664	1.3
107.04963	2.0
107.08589	12.3
109.06538	6.7
109.10167	5.0
110.41419	1.4
111.04429	2.7
111.08073	13.2
115.05499	1.5
117.07047	4.5
119.08581	14.4
119.46200	1.2
121.05630	2.9
121.06506	55.9
121.10131	7.1
122.06874	2.1
123.08059	20.6
123.11767	1.6
125.09653	1.2
128.06218	3.7
129.07047	3.8
130.07809	2.0
131.08545	8.8
133.10123	7.9
135.08067	9.9
135.11696	3.6
137.05994	3.1
137.09622	1.8
139.07536	6.7
141.06950	2.2
142.07756	3.3
143.08545	11.5
145.06508	2.5
145.10126	15.1
147.08038	12.2
147.11725	4.1
149.05986	1.8
149.09596	7.4
151.07565	2.1
153.05563	2.3
153.06888	1.3
155.08548	8.8
156.09358	2.9
157.08798	2.2
157.10101	10.0
159.08040	6.5
159.11705	6.6
161.09634	11.5
163.07451	1.7
163.11240	2.7
165.06982	2.6
167.07060	2.9
167.08537	3.3
168.09270	1.4
169.10103	12.0
171.06609	1.8
171.08060	5.4
171.11719	6.2
173.09653	10.4
173.13278	2.0
175.07545	24.6
175.11217	3.8
177.09114	4.2
178.07831	2.5
179.07211	1.4
179.08600	5.0
180.09360	2.0
181.10132	5.1
182.10901	1.7
183.08168	1.5
183.11731	7.1
185.09641	4.2
185.13248	6.0
187.11182	5.9
187.14673	1.7
189.09131	5.9
191.08339	1.5
191.10732	5.1
192.09354	2.5
193.10158	6.1
194.10873	3.0
195.08058	1.8
195.11662	9.6
197.09659	6.4
197.13257	9.4
198.10301	1.4
199.07344	1.7
199.11133	3.7
201.09082	1.9
201.12787	3.7
203.10690	1.9
205.10120	2.5
205.12228	2.0
206.10942	4.1
207.11688	8.7
208.12312	2.0
209.09634	3.0
209.13261	9.6
210.10349	1.6
211.11168	6.9
211.14870	2.8
213.09189	3.1
213.12767	5.9
213.16414	1.5
215.10716	1.9
217.10130	2.6
219.11693	6.8
220.12477	2.6
221.09708	2.7
221.13278	5.9
222.10431	1.9
223.11200	5.5
223.14861	4.4
225.12729	9.8
227.10725	2.4
227.14322	3.9
229.10201	2.3
229.15787	1.8
231.11696	3.3
231.13831	1.7
232.12407	1.9
233.13272	4.7
235.14874	4.0
237.12782	4.0
237.16452	1.8
239.10593	1.8
239.14365	5.1
241.12213	3.0
243.13898	1.9
245.13266	4.5
246.14082	3.1
247.14822	3.3
249.12743	3.7
249.16396	2.0
251.14354	3.0
253.12166	3.0
253.15921	3.8
255.13954	2.2
255.17763	1.7
259.11041	2.8
259.14789	2.3
261.12854	2.4
261.16415	6.9
262.13501	1.5
263.14362	2.7
263.17932	1.5
265.12274	4.5
265.15927	2.9
267.13849	2.5
275.14270	1.7
277.15982	3.5
279.13779	3.4
279.17368	3.7
280.14584	1.6
281.15350	5.0
285.16318	1.5
291.13962	1.6
292.14456	1.3
293.15341	2.5
293.18793	1.5
295.16840	2.4
295.19888	1.4
297.18710	2.0
301.15640	1.6
303.17429	2.6
305.18497	1.4
307.17154	1.8
319.16931	1.9
321.18500	5.1
322.18982	1.5
323.16388	2.8
339.15698	1.6
341.17575	8.6
343.11871	1.6
353.10468	1.6
357.17175	1.8
357.22153	3.6
359.18793	6.4
375.18542	2.1
375.23285	5.9
381.21893	2.7
383.19415	2.1
389.24826	1.7
393.24323	3.3
399.23291	5.3
401.20816	2.4
407.25696	2.2
415.22470	5.2
417.24170	12.3
419.21857	1.5
433.23755	4.1
435.25238	17.3
436.25543	1.9
437.23245	1.9
443.21875	9.7
453.26193	5.2
461.23050	23.2
462.23483	2.0
479.23508	33.4
480.24698	3.9
497.25266	100.0
498.25562	9.7
515.26031	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3005
Annotation	Ganoderic acid C
Peak:m/z	Relative Intensity
55.01826	3.7
55.05510	14.2
63.57410	4.1
67.05505	13.9
69.03431	7.1
72.47009	3.8
77.58950	4.3
79.05509	12.0
81.07059	24.4
82.34449	3.5
83.04991	20.7
85.06535	6.0
91.05476	22.7
93.07043	26.0
95.04967	9.0
95.08620	25.1
100.65580	4.2
105.03416	6.5
105.07035	26.3
107.08597	17.3
109.06521	16.5
109.10190	8.5
111.04455	14.6
111.08086	15.8
117.07001	8.8
118.98131	4.0
119.08578	30.5
121.06509	7.3
121.10126	7.1
123.08068	12.6
123.11687	4.3
129.07016	12.2
131.08577	18.7
133.06509	4.9
133.10153	19.9
135.08067	13.8
137.05959	22.9
139.07541	13.9
139.22145	4.2
141.06956	7.6
142.07773	7.8
143.08566	13.4
145.06470	6.1
145.10101	24.7
147.08060	11.3
147.11684	10.0
153.07036	4.6
155.08563	21.4
157.10159	29.4
157.42213	4.4
159.08052	11.4
159.11670	10.2
161.09618	10.8
165.07062	4.7
167.08603	4.4
169.10126	12.7
171.11674	21.6
172.11966	6.4
173.09630	7.0
173.13303	5.8
175.07628	5.4
175.11153	6.0
179.08553	6.8
181.10124	14.5
182.10895	6.2
183.11713	20.0
185.09608	5.9
185.13252	9.6
187.11234	5.7
192.09325	7.2
193.10153	11.7
194.10774	5.1
195.11757	13.5
196.12338	7.1
197.09631	7.2
197.13235	12.2
199.11183	16.9
205.10107	7.2
206.10982	9.1
207.11676	17.4
209.13248	26.1
211.11227	4.5
215.10643	4.4
217.10167	6.5
217.12209	15.9
219.11751	10.0
220.12460	7.1
221.13254	19.6
223.11217	5.8
223.14810	8.3
227.10768	4.8
227.14081	5.1
229.10031	5.0
231.11842	10.3
232.12445	9.2
233.13358	6.9
235.14893	8.6
237.12767	5.4
239.14243	6.7
245.13301	7.9
246.13948	6.4
247.14825	16.0
249.12691	4.7
249.16440	7.6
250.16974	5.1
251.14371	7.8
259.14819	13.2
261.16452	10.5
263.14337	11.5
265.15933	8.3
267.13885	6.9
267.17313	5.0
269.15375	4.4
275.14172	7.2
275.17834	5.5
277.15909	5.0
277.19302	5.1
279.17270	5.0
287.17776	5.7
289.19409	6.7
295.16891	7.6
303.21274	4.7
321.18631	5.1
323.20059	6.3
347.20013	8.5
362.22351	7.2
376.96384	4.0
401.24808	43.6
402.25171	5.7
415.26224	10.7
417.28012	10.0
419.25989	6.1
421.23914	27.7
425.24417	9.9
439.24927	100.0
440.25500	10.4
443.25937	32.7
455.27902	16.3
461.26892	99.7
462.27237	9.1
469.25406	7.5
471.30826	16.1
479.27579	22.4
515.16479	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.9
55.01874	9.1
55.05515	19.0
56.86345	5.3
65.03931	5.8
67.05502	40.4
69.03429	29.0
69.07078	10.5
71.04997	6.6
71.29056	8.3
74.38177	5.4
79.05496	31.9
81.03416	9.1
81.07057	51.0
83.05003	40.1
85.02917	5.7
91.05482	58.4
93.07052	75.6
95.04987	18.6
95.08611	77.9
95.12540	5.1
97.02907	20.6
97.06564	9.3
99.04465	6.6
105.07031	53.7
107.04963	6.3
107.08591	34.0
109.06530	30.4
109.10142	12.2
111.04453	29.4
111.08092	22.1
113.50655	5.8
115.05482	7.2
116.15444	4.4
117.07011	25.4
119.08582	79.7
121.06506	27.3
121.10162	22.5
122.07284	7.7
123.04439	5.1
123.08070	32.4
123.11719	11.7
125.06067	6.2
128.06221	16.5
129.07011	26.2
131.08588	43.2
133.06514	10.4
133.10123	49.2
135.08022	28.3
135.11673	12.4
137.06007	17.4
137.09589	6.4
139.07527	27.0
141.07005	16.1
142.07788	22.7
143.08554	38.5
145.06493	16.2
145.10138	52.2
147.08069	19.2
147.11719	20.0
149.09692	11.7
153.05441	5.6
153.07050	11.0
155.08521	26.9
156.09276	14.1
157.10129	51.9
159.08046	34.0
159.11728	21.6
161.05992	9.2
161.09573	28.2
161.13454	5.7
163.07549	14.0
165.05588	8.5
165.07005	13.9
167.07198	8.0
167.08598	16.0
169.10193	30.9
171.06741	6.1
171.08051	28.0
171.11656	27.3
172.08867	8.3
173.09529	33.3
173.13232	12.0
175.07559	14.0
175.11195	17.3
178.07892	6.3
179.08598	20.3
180.09409	9.7
181.10106	29.1
182.10893	10.6
183.08063	10.3
183.11748	22.9
185.09636	23.4
185.13277	14.8
187.07535	20.2
187.11234	14.3
187.14839	14.3
189.09129	11.5
192.09377	12.3
193.10226	25.6
194.11038	11.4
195.08104	9.7
195.11710	33.1
197.09659	16.8
197.13266	15.6
199.07520	6.1
199.11192	17.1
199.14845	6.9
201.09109	16.7
203.10699	14.9
204.09424	5.7
205.10117	14.7
206.10861	10.1
207.11673	26.4
208.12314	6.3
209.09621	16.0
209.13286	20.2
210.10339	5.8
211.11197	20.9
211.14809	13.1
212.08267	6.3
213.09120	9.8
213.12733	16.4
215.10704	8.6
217.10248	10.3
217.12187	10.7
218.10873	6.4
219.11786	12.6
220.12433	8.2
221.09703	10.9
221.13278	23.1
222.10416	6.6
223.11205	18.3
223.14915	10.0
225.09177	13.6
225.12833	20.4
227.10582	7.0
227.14391	14.5
229.10284	5.9
230.10831	8.9
231.11667	14.4
231.13797	5.6
232.12503	9.3
233.13309	19.7
235.11172	12.4
235.14842	11.0
237.12782	18.9
239.10704	8.6
239.14383	15.5
241.12303	19.8
244.12492	7.0
245.13287	11.3
245.15398	11.8
246.10417	6.5
246.13995	7.5
247.11243	5.9
247.14851	16.4
248.11908	6.6
249.12712	18.7
249.16434	11.3
251.10753	10.5
251.14261	8.1
253.12247	19.4
255.13914	7.9
257.13254	8.1
259.14984	8.0
261.12738	7.4
261.16403	11.0
263.14313	11.4
265.12271	9.9
265.15927	5.6
267.13882	10.9
269.15390	7.7
271.11026	6.8
275.14218	11.3
277.12244	6.3
277.15863	5.4
279.13766	7.4
287.17877	11.7
291.13824	7.7
291.17526	7.9
293.15381	11.6
301.15451	7.1
301.21606	8.2
303.17395	7.9
305.15558	6.7
305.19086	7.4
307.16861	10.4
307.20285	6.8
317.19189	6.3
323.20041	8.6
331.16742	6.2
333.18536	16.7
335.20068	8.7
347.20148	9.1
351.19647	10.6
399.18640	6.4
401.24887	7.8
403.19095	7.4
415.22498	15.3
421.20050	14.7
425.20828	12.9
433.23877	17.1
443.21460	39.1
451.20920	10.1
461.21985	100.0
461.27682	36.2
479.23917	85.6
497.25952	12.6
515.23688	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3022
Annotation	Ganoderic acid C
Peak:m/z	Relative Intensity
53.03947	9.6
55.01866	11.9
55.05517	28.3
57.07070	6.8
67.05499	39.5
69.03423	13.3
69.07062	12.0
71.04974	15.5
79.05503	27.0
81.03428	7.0
81.07063	52.8
82.07451	4.9
83.04978	42.4
85.06582	15.0
87.04459	6.1
90.69955	5.4
91.05481	66.8
93.07041	100.0
95.04967	28.8
95.08607	91.4
97.02896	5.7
97.06511	16.8
97.16778	5.0
99.04433	10.9
103.05482	9.5
105.07034	68.1
107.04965	12.1
107.08590	56.6
109.06499	21.2
109.10138	19.8
111.04440	24.6
111.08086	24.1
115.05462	11.6
116.06142	5.6
117.07015	19.5
119.04897	7.4
119.08578	74.6
121.06498	61.5
121.10144	44.9
123.04378	6.7
123.08071	34.4
125.05984	7.4
125.09692	6.2
126.10018	6.3
128.06209	13.1
129.06996	16.5
131.08546	49.0
131.88976	5.0
132.05692	6.9
133.06473	7.9
133.10115	46.9
135.08043	26.0
135.11722	15.3
136.24518	5.0
137.06001	8.1
137.09532	13.7
137.66486	5.1
139.07558	16.9
141.06999	13.8
142.07800	13.2
143.08569	52.5
145.06541	8.9
145.10075	51.0
147.08006	39.6
147.11678	24.4
149.09608	23.0
151.11214	8.0
153.05418	6.3
155.08548	33.8
156.09280	7.0
157.10133	44.5
159.08061	37.6
159.11699	35.2
161.09627	32.1
161.13242	9.1
163.07536	18.6
163.11169	8.8
165.06952	11.3
167.08527	8.9
169.10127	21.7
170.10841	8.6
171.08058	9.1
171.11635	31.1
173.09575	31.5
173.13255	29.3
175.07507	25.1
175.11154	23.1
177.09154	16.7
179.08597	15.0
180.09308	8.2
181.10089	26.2
182.10872	8.0
183.08096	11.6
183.11679	31.3
185.09618	21.5
185.13243	22.0
186.10133	8.3
187.07582	7.2
187.09656	7.9
187.11172	20.8
189.09183	7.2
189.12709	25.4
191.14349	6.3
192.09227	6.8
193.10158	15.3
194.10622	7.1
195.11758	18.8
196.12259	6.6
197.09642	12.8
197.13304	29.8
199.11169	31.2
199.14865	10.8
201.09125	10.7
201.12726	44.5
203.10609	11.9
205.08614	10.2
207.10008	9.0
207.11742	16.1
208.10535	8.6
209.09601	8.3
209.13321	14.6
210.47931	6.0
211.11093	11.7
211.14815	14.0
213.12761	18.3
215.14255	18.9
217.12190	27.2
219.11862	10.0
219.13759	47.0
221.13240	19.6
223.11096	14.9
223.14845	12.0
224.11908	7.2
225.09230	7.4
225.12746	20.8
225.16399	10.1
227.14409	12.1
231.11774	8.7
231.13805	10.9
233.13210	9.0
233.15332	13.8
237.12701	11.3
239.14275	10.3
241.12267	7.5
243.13812	22.0
245.15396	14.1
249.12776	8.2
255.13849	6.7
257.15356	8.8
261.14865	20.8
265.15784	7.6
277.15860	7.2
277.19394	7.0
283.17084	8.2
295.17169	7.2
309.18216	7.6
329.10083	13.4
385.12604	7.6
401.25107	9.2
403.22803	10.2
419.25818	19.4
421.23822	15.5
433.27435	11.1
435.29031	15.7
437.26868	14.1
439.24710	22.3
443.25992	14.1
451.28409	18.7
461.27505	38.6
479.28189	57.7
497.28552	17.8
515.22992	17.4
515.30341	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.3
55.01863	1.6
55.05512	5.3
59.04984	2.2
66.86123	1.4
67.05511	11.8
68.45395	1.3
69.03424	5.1
69.07056	6.2
70.02296	4.0
77.03939	2.2
79.05492	6.8
81.03409	1.8
81.07053	10.8
83.04980	5.0
83.08605	2.3
85.02885	1.6
85.06540	2.8
91.05482	19.9
92.05844	1.4
92.16837	1.4
93.07039	32.4
95.04977	7.6
95.08608	23.0
97.06541	2.4
97.10144	1.4
99.04449	1.4
103.05476	4.6
105.07022	16.1
105.90664	1.3
107.04963	2.0
107.08589	12.3
109.06538	6.7
109.10167	5.0
110.41419	1.4
111.04429	2.7
111.08073	13.2
115.05499	1.5
117.07047	4.5
119.08581	14.4
119.46200	1.2
121.05630	2.9
121.06506	55.9
121.10131	7.1
122.06874	2.1
123.08059	20.6
123.11767	1.6
125.09653	1.2
128.06218	3.7
129.07047	3.8
130.07809	2.0
131.08545	8.8
133.10123	7.9
135.08067	9.9
135.11696	3.6
137.05994	3.1
137.09622	1.8
139.07536	6.7
141.06950	2.2
142.07756	3.3
143.08545	11.5
145.06508	2.5
145.10126	15.1
147.08038	12.2
147.11725	4.1
149.05986	1.8
149.09596	7.4
151.07565	2.1
153.05563	2.3
153.06888	1.3
155.08548	8.8
156.09358	2.9
157.08798	2.2
157.10101	10.0
159.08040	6.5
159.11705	6.6
161.09634	11.5
163.07451	1.7
163.11240	2.7
165.06982	2.6
167.07060	2.9
167.08537	3.3
168.09270	1.4
169.10103	12.0
171.06609	1.8
171.08060	5.4
171.11719	6.2
173.09653	10.4
173.13278	2.0
175.07545	24.6
175.11217	3.8
177.09114	4.2
178.07831	2.5
179.07211	1.4
179.08600	5.0
180.09360	2.0
181.10132	5.1
182.10901	1.7
183.08168	1.5
183.11731	7.1
185.09641	4.2
185.13248	6.0
187.11182	5.9
187.14673	1.7
189.09131	5.9
191.08339	1.5
191.10732	5.1
192.09354	2.5
193.10158	6.1
194.10873	3.0
195.08058	1.8
195.11662	9.6
197.09659	6.4
197.13257	9.4
198.10301	1.4
199.07344	1.7
199.11133	3.7
201.09082	1.9
201.12787	3.7
203.10690	1.9
205.10120	2.5
205.12228	2.0
206.10942	4.1
207.11688	8.7
208.12312	2.0
209.09634	3.0
209.13261	9.6
210.10349	1.6
211.11168	6.9
211.14870	2.8
213.09189	3.1
213.12767	5.9
213.16414	1.5
215.10716	1.9
217.10130	2.6
219.11693	6.8
220.12477	2.6
221.09708	2.7
221.13278	5.9
222.10431	1.9
223.11200	5.5
223.14861	4.4
225.12729	9.8
227.10725	2.4
227.14322	3.9
229.10201	2.3
229.15787	1.8
231.11696	3.3
231.13831	1.7
232.12407	1.9
233.13272	4.7
235.14874	4.0
237.12782	4.0
237.16452	1.8
239.10593	1.8
239.14365	5.1
241.12213	3.0
243.13898	1.9
245.13266	4.5
246.14082	3.1
247.14822	3.3
249.12743	3.7
249.16396	2.0
251.14354	3.0
253.12166	3.0
253.15921	3.8
255.13954	2.2
255.17763	1.7
259.11041	2.8
259.14789	2.3
261.12854	2.4
261.16415	6.9
262.13501	1.5
263.14362	2.7
263.17932	1.5
265.12274	4.5
265.15927	2.9
267.13849	2.5
275.14270	1.7
277.15982	3.5
279.13779	3.4
279.17368	3.7
280.14584	1.6
281.15350	5.0
285.16318	1.5
291.13962	1.6
292.14456	1.3
293.15341	2.5
293.18793	1.5
295.16840	2.4
295.19888	1.4
297.18710	2.0
301.15640	1.6
303.17429	2.6
305.18497	1.4
307.17154	1.8
319.16931	1.9
321.18500	5.1
322.18982	1.5
323.16388	2.8
339.15698	1.6
341.17575	8.6
343.11871	1.6
353.10468	1.6
357.17175	1.8
357.22153	3.6
359.18793	6.4
375.18542	2.1
375.23285	5.9
381.21893	2.7
383.19415	2.1
389.24826	1.7
393.24323	3.3
399.23291	5.3
401.20816	2.4
407.25696	2.2
415.22470	5.2
417.24170	12.3
419.21857	1.5
433.23755	4.1
435.25238	17.3
436.25543	1.9
437.23245	1.9
443.21875	9.7
453.26193	5.2
461.23050	23.2
462.23483	2.0
479.23508	33.4
480.24698	3.9
497.25266	100.0
498.25562	9.7
515.26031	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.4
57.03431	0.3
69.12777	0.6
69.13178	1.8
81.15073	0.2
83.04990	0.4
84.04115	0.2
91.05472	0.2
95.08616	0.5
97.06598	0.2
100.38493	0.3
105.07034	0.5
107.08597	0.3
119.08613	0.4
151.19400	0.3
157.28911	0.2
175.11223	0.3
185.04213	0.5
185.13109	0.3
213.98865	0.3
222.18440	0.2
479.31583	0.4
515.31897	100.0
516.32263	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48434	3.6
53.03944	4.5
53.17549	3.7
55.05511	21.1
57.03445	5.6
57.07081	4.3
61.02949	4.7
67.05502	86.0
67.13820	3.6
69.03436	7.8
69.07073	17.6
71.04990	4.3
71.31239	4.4
71.31621	6.8
79.05498	59.6
81.07053	100.0
83.04993	9.7
83.08617	8.4
85.02915	6.5
91.05466	33.4
93.07040	75.6
95.04973	5.0
95.08610	56.5
97.02914	5.5
97.10184	5.6
97.58235	4.0
105.07035	29.3
107.08604	36.2
109.10143	33.9
111.08135	4.4
117.07027	15.7
119.08589	25.1
121.10143	43.1
123.11710	17.0
129.98775	4.2
131.08589	27.5
133.10107	22.2
135.11693	28.3
136.00655	4.2
137.09671	4.0
137.13264	5.9
143.08546	5.5
145.10138	21.3
147.11707	16.3
149.13252	23.5
155.08611	4.3
157.10201	6.3
158.10712	3.8
159.11726	21.1
161.13286	13.3
163.14877	15.8
164.63947	4.2
173.13261	24.9
177.16394	5.0
187.14815	10.1
212.64977	3.9
243.21056	21.2
261.22125	70.7
262.22452	6.4
326.73410	4.7
328.41159	4.4
335.25714	9.9
352.55313	4.6
353.26947	7.1
387.25589	4.8
448.29135	4.5
466.30002	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.0
53.03939	4.7
55.01862	3.0
55.05511	26.0
55.13868	0.6
57.03438	8.9
57.07088	2.8
65.03934	4.2
67.05504	71.8
67.39481	0.6
68.05837	1.3
69.03435	1.6
69.07069	21.0
71.01354	3.4
71.05001	4.2
77.03931	1.8
79.05492	68.0
80.05827	0.8
81.03421	3.7
81.07056	47.2
82.07385	1.1
83.04546	0.7
83.04987	8.7
83.08613	9.3
85.06542	2.7
91.05479	40.8
92.05791	0.7
93.07042	76.6
94.07368	1.8
94.61870	0.5
95.04976	8.5
95.08603	33.7
96.50993	0.5
97.06527	9.6
97.10165	11.2
99.04473	1.2
99.08089	2.2
103.05511	1.0
105.04502	2.6
105.07031	22.8
106.46097	0.6
107.04961	2.0
107.08591	40.8
108.08916	1.0
109.06523	2.7
109.10155	14.8
111.08103	3.1
111.11635	0.6
115.05453	1.4
116.61604	0.5
117.07019	13.0
119.06081	1.1
119.08578	19.5
121.06543	1.3
121.10139	23.8
123.08059	1.1
123.11735	3.0
125.09655	2.1
127.07613	0.6
128.06221	1.3
129.07010	5.0
130.07793	1.3
131.08569	18.3
133.10126	14.1
134.10506	0.6
135.08098	1.9
135.11690	50.7
136.12051	1.2
137.09605	1.8
137.13208	0.9
139.11201	1.2
141.06982	1.3
142.07719	0.8
143.08557	5.8
144.09348	0.9
145.10121	19.5
146.10503	1.0
147.08089	0.7
147.11676	8.7
149.09573	0.9
149.13257	7.3
151.11124	0.9
151.21162	0.5
153.12711	3.1
155.08536	2.3
157.10098	5.4
159.11703	9.8
161.09653	1.5
161.13251	5.3
163.11166	6.8
163.14836	2.3
167.08585	1.3
169.10085	3.2
171.11658	5.3
173.13249	7.7
175.14777	2.9
177.12759	0.7
179.08643	0.7
181.10219	1.1
181.12233	5.7
183.11644	3.2
185.13274	3.1
187.11266	0.5
187.14799	3.3
189.16429	1.0
195.11705	1.7
195.13519	0.6
197.13185	3.0
199.13304	1.1
199.14890	2.6
201.16460	1.6
209.13268	1.4
211.14793	1.5
213.16422	1.1
215.14041	0.6
215.18065	0.6
219.11639	0.6
225.16432	1.2
237.16519	0.7
239.18042	0.6
241.19637	0.9
243.21114	1.7
253.19615	0.9
259.20462	0.8
261.22171	7.9
285.22052	0.7
297.22296	1.1
299.23700	1.0
311.23691	1.4
315.23215	0.7
317.24872	2.1
325.25345	0.7
333.24518	0.8
389.26730	0.8
405.31604	3.0
423.32620	6.8
441.33447	2.8
459.34610	1.3
497.36349	3.9
498.36862	0.7
515.37341	100.0
516.37634	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
53.52316	0.5
53.65406	0.5
55.01856	0.7
61.02926	0.9
68.86139	0.6
69.03439	2.6
70.06581	1.0
76.88301	0.7
79.01855	3.6
81.03411	2.8
85.02904	7.2
93.03406	0.7
94.44424	0.6
97.02914	3.2
99.04482	0.6
107.01312	2.3
109.02883	6.5
113.94731	0.5
123.04505	0.8
125.02354	3.9
127.03921	10.8
133.83624	0.5
135.00821	0.6
137.03476	0.6
137.05986	0.7
139.03905	22.9
140.04268	0.6
143.03387	4.7
144.21829	0.5
145.04979	1.8
153.01834	100.0
153.02867	4.3
154.02191	2.1
163.03922	1.6
167.03401	26.4
171.02895	34.7
223.07626	0.7
237.04008	0.6
250.99626	0.5
251.06805	0.6
269.08139	0.7
279.06512	1.4
297.07504	0.6
315.07108	5.4
325.07141	0.8
516.18152	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	37.9
56.12002	20.6
62.47839	20.6
69.31617	94.5
69.32026	42.9
69.74053	19.8
81.07058	29.6
83.04971	45.7
93.07019	33.5
107.08607	24.0
116.61023	22.3
131.08673	24.7
142.43199	20.4
201.12874	36.5
203.01057	28.8
261.18530	26.4
297.07446	29.6
327.08841	100.0
327.12253	29.3
350.11652	20.0
351.12314	62.1
353.24252	25.8
355.11823	81.0
369.13300	65.9
374.99124	24.1
381.13525	27.9
399.14264	65.5
517.29791	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16382	2.9
55.05510	4.9
62.93253	2.8
71.31505	4.9
77.39678	2.6
83.04988	4.1
121.17808	3.1
196.08694	3.3
207.08105	3.7
210.06879	3.8
211.07533	4.6
222.06802	3.3
224.08275	5.4
227.06969	5.4
235.07712	5.0
237.09155	5.0
239.07181	3.2
239.10605	5.4
252.07845	5.1
255.06361	5.5
263.07028	3.2
265.08676	7.6
267.06686	3.3
267.10187	16.8
268.07367	4.1
269.07996	3.2
280.07343	3.4
281.07938	3.4
282.08865	6.4
284.06726	6.8
285.07529	5.0
293.08093	7.8
294.08957	3.7
295.06284	5.4
295.09650	18.4
296.07062	5.8
297.07727	6.2
297.11221	13.1
298.08035	3.3
299.05676	6.3
299.09067	15.6
310.08463	5.8
311.05487	9.6
313.07047	7.8
321.11029	3.1
324.09869	4.0
325.10620	26.0
326.07889	28.5
326.11270	5.5
327.08557	15.9
340.09421	6.0
341.10159	3.1
342.07349	9.0
351.12198	9.6
355.11765	65.0
356.12054	8.2
357.09610	26.1
369.13297	12.2
381.13257	10.6
399.14377	100.0
400.14673	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	11.0
56.05849	3.1
67.05500	3.3
67.84133	3.2
69.12717	25.1
74.13879	3.1
75.80233	2.6
79.05450	2.9
81.07077	5.2
83.04984	14.8
91.05491	3.7
93.07049	9.0
95.04984	4.3
95.08627	8.8
105.03419	25.3
105.07072	3.6
107.08607	3.5
109.10162	3.8
119.08563	4.1
121.10151	5.0
133.10127	7.2
136.93150	8.0
145.10178	3.8
147.11749	2.9
154.94176	17.1
172.95200	15.6
179.98309	7.1
189.34688	3.2
197.98375	3.6
210.06763	4.2
210.96979	5.6
211.07327	3.2
224.08365	6.8
227.07021	4.9
228.97903	6.6
234.06886	4.6
235.07570	5.7
239.07002	4.1
239.10599	5.5
252.07954	6.5
254.05885	4.8
263.07123	5.8
265.08743	9.3
267.06494	3.8
267.10172	13.8
268.07327	5.7
269.08090	7.3
279.06677	5.3
284.06818	7.2
285.07635	5.0
293.08057	5.3
295.09641	15.9
296.06799	6.5
297.07547	9.6
297.11230	8.8
299.05750	4.3
299.09161	12.7
309.07523	3.4
311.08688	3.7
313.07001	7.5
319.19669	4.3
321.07794	3.3
325.07071	5.5
325.10605	27.1
326.07910	18.5
326.11282	4.8
327.04984	3.7
327.08563	10.5
337.20456	3.7
342.07388	8.2
351.12326	11.6
355.11783	60.3
356.12012	5.0
357.09747	28.5
367.11832	3.9
369.13290	9.6
381.13443	7.6
396.34409	3.3
399.14377	100.0
400.14603	4.0
455.18707	8.2
473.19849	41.7
516.24432	15.9
516.37561	4.4
517.25494	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19428	1.2
54.43087	1.3
55.01867	6.4
57.03439	12.5
57.07076	58.5
59.04989	1.3
61.02922	5.5
67.05500	1.6
69.03432	16.2
69.07063	3.3
69.13959	10.4
71.01347	1.9
71.04991	2.2
73.02909	11.6
81.03410	2.5
81.07066	7.4
83.04960	1.6
83.08604	1.2
85.02905	28.7
85.06544	47.1
87.04463	2.6
97.02888	16.6
99.04487	1.2
99.08101	2.8
107.08585	1.2
109.02862	1.9
109.06505	3.7
111.04433	1.5
115.03915	6.7
119.08643	1.2
119.42099	1.1
122.66056	1.1
123.08026	1.6
127.03909	5.5
127.07551	5.3
133.04964	12.0
135.08017	1.4
139.11205	1.8
141.09099	19.0
145.04961	7.4
145.08598	50.5
149.09552	1.3
157.12282	3.8
159.10164	100.0
160.10590	2.0
162.07613	1.7
163.03949	3.0
163.06023	2.0
165.09032	1.6
173.13332	2.1
191.14348	7.0
192.14642	4.5
196.51317	1.2
205.10706	43.9
223.05977	1.6
223.13324	2.1
241.06999	1.7
283.15234	1.6
299.70084	1.4
385.18567	2.5
517.22375	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69310	3.5
67.05502	5.8
69.03429	9.0
69.07072	4.8
70.01570	3.1
71.31812	4.3
79.05490	11.3
81.07060	53.8
83.04985	8.0
86.09707	12.0
91.05498	11.2
93.07043	9.7
95.04959	3.4
95.08611	10.4
97.02941	4.6
97.06481	3.9
99.04446	5.3
103.05469	18.2
104.10775	17.8
105.07053	8.9
107.08602	6.6
109.02883	3.8
109.06509	27.4
117.07003	3.8
119.08571	7.7
123.08051	10.2
125.00003	7.2
131.04922	41.2
131.08611	4.5
135.08141	5.4
137.05983	58.1
137.09586	4.4
143.08574	7.2
145.06491	4.5
145.10155	7.3
147.08009	3.9
147.11723	4.9
155.08583	7.2
157.10211	4.9
159.11722	4.4
164.15732	3.7
169.06477	10.6
171.08063	18.5
171.11655	4.6
173.09630	10.0
175.11218	7.7
181.10086	9.8
183.08081	11.1
183.11719	5.7
184.07382	21.5
185.09625	5.0
193.10167	4.6
195.08055	12.9
195.11731	7.5
196.08630	4.9
197.09648	13.1
197.13309	4.9
199.07520	7.9
199.11296	4.8
201.09119	5.2
205.10143	4.8
207.08089	4.5
207.11612	6.2
208.08757	4.9
209.09604	12.3
209.13316	4.7
211.11191	11.9
219.11583	4.0
221.09641	11.0
223.11182	11.0
223.14635	4.5
225.12756	5.8
233.09650	8.1
235.11140	10.3
236.11841	3.9
237.12621	18.2
239.14314	10.0
239.17688	3.9
247.11177	12.1
248.11919	13.0
249.12862	8.6
249.16425	4.4
251.10635	7.5
251.14192	5.3
263.14407	7.1
265.12137	19.0
265.15958	8.2
266.13068	13.7
267.13861	18.1
267.17477	12.7
275.14294	4.5
277.15775	17.4
281.11572	6.5
287.14249	7.5
293.15271	29.4
294.15762	4.9
295.16907	49.4
305.15320	17.4
307.13324	5.8
323.16446	47.2
324.17044	3.7
325.14444	8.8
337.17862	4.7
347.16031	4.0
353.17349	26.1
355.19009	13.1
365.17407	13.8
373.20020	5.1
375.19461	10.0
383.18594	38.0
385.18222	7.0
393.20712	32.7
401.19931	21.0
403.14020	2.6
403.19009	71.9
404.19360	5.0
409.23251	4.4
421.20111	96.7
422.20499	7.3
435.21936	5.1
439.21103	11.8
445.20007	10.1
453.22751	35.1
454.23700	4.9
463.21194	49.2
481.22192	30.8
481.28317	5.2
498.23541	5.7
499.23700	7.0
516.24414	100.0
516.32202	4.2
517.25476	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.05512	49.7
60.00956	0.9
60.05640	1.7
67.05506	1.4
69.07052	1.0
70.33972	1.7
83.04983	100.0
84.05307	2.1
87.04429	1.3
93.07049	1.9
95.08615	1.4
105.07010	1.8
107.08565	1.3
135.08095	0.9
147.11729	1.0
157.10051	1.0
262.25287	1.1
310.94595	1.0
377.23312	1.0
403.21262	2.1
454.33597	3.9
485.25470	1.6
498.32605	3.8
516.33252	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	5.6
57.07082	1.4
60.81320	1.2
66.02934	1.5
67.05519	6.9
69.03405	3.4
69.07049	3.4
70.29983	1.3
71.04974	2.0
71.31173	1.6
71.40084	1.3
79.05492	6.8
81.03410	2.3
81.07061	15.1
82.07322	1.3
83.04959	3.2
83.08600	1.9
83.59003	1.3
85.02905	8.5
85.06502	2.1
91.05473	8.6
93.07052	15.2
95.08611	21.5
95.11844	1.4
97.02889	2.9
97.06548	2.2
99.04434	4.6
101.06062	1.8
105.07033	14.1
106.07381	1.4
107.08601	13.8
109.06557	1.8
109.10136	6.9
119.08578	21.5
120.08932	1.6
121.06521	1.6
121.10143	21.2
123.08052	2.4
123.11700	2.2
127.03872	1.6
129.07033	2.4
131.08582	7.2
132.08919	1.8
133.10147	18.0
135.08006	4.3
135.11703	8.4
137.06021	2.2
143.08560	3.5
145.10120	9.1
147.08014	1.6
147.11681	13.8
149.09624	1.8
149.13264	5.4
151.07407	1.4
153.09120	4.8
155.06935	2.0
157.10109	5.5
159.08031	2.4
159.11691	10.7
161.09576	3.5
161.13243	8.4
163.11285	1.5
165.09155	3.8
165.12766	1.6
167.10704	3.6
169.10149	2.2
171.11676	5.5
173.09587	1.6
173.13251	11.4
175.11244	2.7
175.14783	3.3
177.09129	6.2
179.10663	12.5
183.11713	4.1
185.13237	4.0
187.14816	3.7
193.12234	4.1
195.11760	2.6
197.13171	1.7
199.11227	2.8
199.14824	3.6
203.88983	1.4
205.12199	3.0
207.13937	1.5
209.13240	2.8
211.14807	1.9
213.16396	1.8
215.17976	4.3
219.13882	2.8
221.15317	2.3
231.13803	2.0
239.17978	4.6
241.19559	7.4
257.18988	4.6
259.20532	1.8
265.19553	4.6
275.20056	49.1
276.20422	2.5
283.20581	10.2
301.21609	100.0
302.21960	4.4
319.22668	83.2
320.22968	4.4
337.23734	32.1
338.23969	2.3
460.87842	1.7
462.32922	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48755	11.2
60.40687	10.9
69.33047	71.1
73.94781	9.3
74.85313	10.0
93.43495	9.9
95.08608	14.2
96.78573	9.1
101.45418	9.5
118.50407	9.6
131.08540	9.9
157.10233	13.6
181.09955	9.3
207.11639	13.2
221.13231	14.9
403.26218	33.9
424.34265	10.9
445.27341	30.5
463.28354	100.0
481.29468	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11515	2.6
52.02982	2.6
55.05514	6.3
67.05508	18.2
69.03397	2.8
69.07063	3.3
69.10410	15.7
69.10830	11.7
78.66414	2.7
79.05502	8.8
81.07052	9.2
83.04982	6.5
91.05494	15.9
93.07045	15.1
95.04971	2.9
95.08604	25.2
105.07030	24.3
107.08578	14.8
109.06552	5.3
109.10170	24.2
111.04443	3.8
111.08109	5.9
117.07078	3.4
119.08592	32.4
121.06520	5.4
121.10150	9.5
123.08105	10.9
123.11691	3.6
129.07034	5.3
131.08565	10.1
133.10136	26.0
135.08032	6.1
135.11703	14.4
137.09622	28.2
142.07790	6.0
143.08583	10.9
145.10130	17.3
147.08015	3.4
147.11711	9.8
149.09636	6.1
151.11201	7.0
155.08563	5.7
156.09224	3.4
157.10115	15.9
159.08061	6.8
159.11646	13.4
161.09639	18.3
161.13298	4.4
163.11154	4.9
169.10138	8.2
171.07965	4.3
171.11720	9.0
173.09651	8.1
173.13306	6.7
175.11214	9.7
177.12846	3.3
179.10677	7.3
183.11649	7.1
185.09650	4.9
185.13309	9.4
187.11240	6.0
187.14854	6.0
189.12782	9.2
193.10170	3.7
195.11710	6.6
197.13290	8.2
199.11201	4.2
199.14793	5.3
201.12794	11.0
207.11690	5.3
209.13260	8.4
211.14824	5.4
213.12717	5.2
213.16362	5.6
215.14313	3.7
221.13223	4.8
223.14789	7.8
225.12810	4.0
225.16449	3.2
227.14305	8.8
239.14334	5.4
249.16473	3.6
267.17273	3.0
279.17447	4.5
283.16763	3.5
297.18607	4.0
315.19571	12.3
329.21185	9.9
335.83279	3.2
383.25848	4.5
395.29300	9.8
403.26227	7.1
419.29300	6.9
421.27271	19.7
427.26065	3.1
435.28751	5.7
436.29269	7.5
437.30252	5.4
439.28445	100.0
440.28757	9.3
445.27353	5.5
454.30533	3.5
455.31192	4.5
463.28519	18.7
464.28629	4.2
480.28412	4.2
481.29523	40.7
482.29694	4.4
498.28925	4.7
499.30350	3.8
517.25043	17.6
527.69537	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	48.7
67.05499	10.6
67.57635	3.2
69.74973	3.1
71.32398	3.8
81.07047	6.9
83.04986	100.0
84.05346	3.8
91.05492	4.0
93.07059	5.1
93.22572	3.2
95.08599	11.0
105.07045	6.8
107.08646	6.9
107.91529	3.4
109.10152	3.6
119.08602	11.5
121.65842	3.0
123.08123	6.0
129.06952	4.4
131.08562	6.0
133.10173	3.6
143.08588	6.8
145.10138	8.4
147.08110	3.7
157.10120	5.0
159.11732	8.2
161.13327	4.5
171.11717	7.6
173.09613	6.2
173.13274	4.0
183.88655	3.3
185.13353	4.0
195.11710	5.2
197.13251	6.7
199.14775	5.0
209.13338	4.7
215.14491	4.8
221.13139	3.9
229.15782	3.8
241.19592	4.8
255.13765	5.0
269.18976	5.0
285.18433	4.7
295.17004	3.9
367.26315	10.7
389.24585	10.4
405.24066	5.4
407.26193	7.2
409.27310	13.4
417.24164	13.9
435.25183	17.1
516.33105	15.3
517.25458	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	5.8
64.34335	2.8
67.05497	8.9
69.07069	6.6
69.08961	25.0
75.10950	2.7
77.08322	2.7
81.07056	7.7
83.04979	6.7
84.28272	2.6
91.05505	3.2
93.07051	9.3
95.08576	15.4
103.05447	4.8
105.07047	8.5
107.08579	9.4
109.10164	6.9
111.52644	3.4
119.08602	10.9
121.10155	6.9
123.08080	6.5
125.09612	3.6
131.04932	4.2
131.08601	4.7
133.10126	8.3
142.07858	4.0
143.08586	5.6
145.10114	7.8
147.08061	2.9
147.11678	3.7
155.08577	5.9
157.10112	9.3
159.11720	8.9
161.09642	5.6
161.13289	3.3
169.10167	9.1
171.11679	8.7
173.13344	6.6
181.10130	6.7
183.11731	7.2
185.13277	6.7
197.13310	6.6
199.14835	7.0
209.11298	3.3
209.13228	6.4
221.13298	5.1
225.16438	5.0
237.16470	5.6
239.18118	3.8
264.01920	2.8
281.19061	5.4
297.22476	4.7
323.19962	4.2
379.26093	4.6
419.29623	17.1
421.27405	44.1
437.30466	43.1
438.30856	6.0
439.28513	3.7
445.27881	4.9
455.25507	3.5
463.28473	27.8
464.28159	3.8
481.29102	13.7
499.24643	6.6
516.20782	100.0
516.27112	4.0
516.37640	3.8
517.26080	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.9
55.05509	23.6
65.03936	7.8
67.05506	32.6
69.03427	13.2
69.07071	16.6
71.05001	7.7
71.31039	9.0
79.05494	25.8
81.07050	56.2
83.04974	26.2
83.08629	8.1
85.06560	7.8
85.14398	4.4
91.05476	35.7
93.07042	46.3
95.04961	12.2
95.08604	83.5
95.09160	7.1
97.06529	6.1
102.20376	4.4
104.10838	4.3
105.07030	42.6
107.08604	38.3
108.09081	6.2
109.06522	100.0
109.10148	38.2
109.25909	5.7
111.04440	16.9
111.08104	16.3
117.07046	14.6
119.08565	42.9
121.06517	7.3
121.10130	31.0
123.04544	5.3
123.08065	11.6
123.11757	7.3
125.06022	6.3
127.07561	6.8
128.06198	7.1
129.07013	10.7
131.08540	32.1
133.10135	42.5
135.08046	12.0
135.11696	15.9
137.05992	29.2
137.09625	7.3
139.07579	10.3
141.06961	5.2
141.09189	6.0
142.07823	7.2
143.08571	24.7
145.10126	47.3
147.08130	8.0
147.11620	24.6
149.05902	4.7
149.09604	9.6
155.07043	55.2
155.08542	16.3
156.09314	8.9
157.10097	42.5
159.08063	13.7
159.11646	36.0
161.09641	16.8
161.13229	5.8
163.07637	5.6
167.08630	9.1
168.09346	8.7
169.10164	18.6
170.10710	5.5
171.08017	8.7
171.11711	37.5
173.09621	12.8
173.13226	14.6
175.11165	7.6
175.14738	8.0
177.09109	5.4
179.10745	11.4
181.10175	8.7
183.11734	29.4
185.09659	13.3
185.13286	22.4
187.11174	10.5
187.14848	22.4
193.10136	7.6
195.11682	18.8
196.12350	7.8
197.13266	20.4
199.11227	8.7
199.14850	6.4
201.12793	17.3
205.12206	6.3
207.11757	14.3
209.09631	5.7
209.13280	17.5
211.11275	8.7
211.14915	16.7
213.12794	13.5
217.12335	7.7
219.13776	16.3
221.13329	10.2
223.11159	7.9
223.14772	13.3
225.16389	7.1
227.14560	5.6
229.12141	7.9
231.13757	13.5
233.13336	6.5
233.15421	7.9
235.14798	9.4
237.12807	10.8
237.16251	6.1
239.14429	5.1
243.13885	10.7
245.15382	15.7
253.16068	5.6
261.16406	9.8
271.16953	14.3
283.16861	9.1
297.18509	8.9
305.18991	6.5
309.22153	10.6
323.20126	15.9
325.21539	22.0
327.23203	56.5
427.26474	9.6
445.27463	25.1
456.28168	5.6
463.28607	49.3
481.29550	57.0
499.30374	14.3
500.69687	5.4
517.27551	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.8
55.01866	5.9
55.05506	18.8
57.07062	5.4
65.15210	4.3
67.05499	23.2
69.07061	12.0
69.24600	11.2
69.25013	22.7
71.05008	8.0
79.05493	26.3
81.07048	52.3
83.04965	18.5
85.06529	7.0
89.13267	5.1
91.05473	35.0
93.07034	51.5
95.04964	11.8
95.08044	8.1
95.08608	100.0
97.06535	6.9
105.07024	46.4
107.08582	44.6
109.02892	6.2
109.06527	79.8
109.10140	29.2
111.04441	11.4
111.08088	10.0
117.07001	11.1
119.08573	37.0
121.06544	7.4
121.10139	23.7
128.06242	6.7
129.07034	23.5
131.08577	47.5
133.10124	36.8
135.08089	9.0
135.11719	12.2
137.05960	21.5
139.07547	12.5
142.07822	8.6
143.08585	40.5
145.06480	15.2
145.10139	44.0
147.08073	12.1
147.11691	31.6
149.09561	7.0
149.13271	7.6
152.06160	4.6
153.06889	5.4
155.07021	43.5
155.08553	18.9
156.09209	7.5
157.10107	37.6
159.08011	19.0
159.11678	26.9
161.09651	13.8
161.13257	14.9
165.06979	5.5
167.08675	6.0
169.10164	16.2
171.08020	30.7
171.11635	23.8
173.09653	15.1
173.13263	19.3
177.09102	5.0
179.08577	6.5
181.10123	11.8
183.08098	8.3
183.11736	18.5
185.09598	13.6
185.13255	25.9
186.23520	4.8
187.11174	9.9
187.14810	17.8
189.09128	8.0
189.12741	16.3
193.10086	6.0
195.11731	10.0
197.09494	10.1
197.13292	16.1
198.10406	5.4
199.11172	14.4
199.14873	15.7
201.12746	17.0
203.10794	7.3
205.12280	6.9
206.97089	5.3
207.11673	10.9
209.13234	9.6
211.11079	11.9
211.14700	8.7
213.12740	59.8
213.16249	4.9
215.14331	12.6
217.12122	6.9
219.13792	5.1
221.13261	6.7
223.14803	9.9
225.12791	8.7
225.16458	7.5
227.14291	20.9
229.12288	11.5
231.13692	27.0
233.15291	6.6
239.14233	10.4
239.17917	5.2
243.13806	8.7
245.15398	15.9
257.15390	8.2
259.17050	5.9
265.15970	6.3
267.17462	6.8
268.06836	7.0
279.20981	9.4
281.22589	13.6
305.19080	5.7
307.20502	10.4
309.22083	18.8
323.20004	6.2
325.21597	21.3
327.23111	32.6
330.10513	7.4
335.72934	4.9
379.26236	6.2
383.42975	6.3
386.12680	5.9
417.27759	10.5
427.26083	24.7
435.29108	9.6
445.27448	58.0
446.27475	6.3
463.28384	77.8
464.28793	10.1
481.29303	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88770	1.3
53.03962	2.1
55.05510	3.7
67.05495	8.3
69.07059	3.3
69.78692	6.2
71.05033	1.6
72.50058	1.6
79.05482	3.9
81.07062	8.8
82.51147	1.5
83.04975	6.7
83.08596	2.1
83.42426	1.4
84.66390	1.5
85.06543	3.3
86.44683	1.4
91.05473	6.1
93.07050	12.7
95.04945	2.9
95.08603	19.5
105.07028	9.9
107.08607	9.1
109.06530	3.7
109.10157	3.8
111.04441	3.4
111.08065	4.6
117.06993	4.6
119.08578	10.3
121.06519	2.4
121.10138	5.4
123.08079	7.0
127.07572	2.3
129.06995	3.0
131.08557	6.7
133.10126	5.6
135.08014	2.7
135.11710	2.2
139.07553	3.9
141.06973	1.6
142.07776	4.8
143.08551	8.4
145.06474	1.4
145.10152	8.0
147.08061	2.9
147.11754	3.5
149.09616	2.4
155.08595	7.8
156.09216	4.0
157.10107	12.7
159.08017	1.7
159.11710	6.1
161.09612	5.2
163.11166	2.6
167.08563	2.9
169.10132	9.2
171.11684	8.1
173.09576	2.9
173.13268	3.2
175.11209	2.1
179.08508	3.0
180.09355	1.6
181.10056	8.4
182.10910	1.5
183.11652	9.3
185.13254	4.5
187.11240	2.2
189.12759	2.6
191.10670	2.1
192.09326	3.6
193.10147	6.5
194.11000	2.7
195.11690	10.6
197.09608	2.1
197.13261	8.0
199.11230	3.4
201.12637	1.6
203.10690	1.8
205.10280	1.5
206.10870	2.5
207.11703	12.4
208.12393	4.0
209.09679	1.9
209.13225	13.1
210.13803	2.0
211.11082	2.0
211.14798	2.6
213.12761	2.0
219.11729	3.3
221.13229	10.6
222.13893	1.9
223.11354	1.6
223.14865	7.8
225.12822	3.7
225.16432	2.2
233.13220	3.6
235.14708	6.9
237.12756	2.0
237.16425	5.0
239.14169	3.0
243.13905	1.9
245.13141	1.8
247.14813	3.0
249.12698	2.5
249.16414	2.8
251.14398	4.6
253.12279	2.7
263.14230	2.6
263.17999	7.2
267.13837	6.6
268.14188	1.6
269.15460	6.5
277.15851	2.5
281.15436	2.0
283.16943	3.4
293.15195	1.7
295.16669	3.0
305.18900	2.5
308.17542	1.6
309.18536	2.0
317.18506	1.5
321.18634	1.7
323.20007	9.7
349.21692	3.4
389.20740	1.9
403.26346	22.7
404.26611	1.6
417.27841	6.1
419.29520	6.9
423.25052	1.7
427.26306	4.8
435.29117	3.4
445.27536	17.5
463.28430	100.0
464.28790	9.8
481.29657	22.6
520.77350	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05114	6.3
55.05500	22.5
57.03431	12.7
57.07067	14.2
67.05496	28.2
69.07069	10.8
70.17735	26.5
79.05481	22.3
80.63127	6.8
81.07055	35.9
83.04981	16.2
85.06541	85.1
86.06865	19.2
91.05469	39.1
93.07033	51.0
95.04945	9.3
95.08601	100.0
97.06503	7.1
101.25912	6.4
103.64848	6.6
105.07030	47.7
107.08592	52.5
109.06519	24.4
109.10122	23.2
111.04427	9.8
111.08102	13.0
113.06023	13.1
119.08593	42.8
121.06490	13.0
121.10128	22.3
123.08009	11.7
123.11720	10.6
127.07581	12.2
128.06216	8.3
129.06966	7.8
131.08553	25.0
133.10123	30.3
135.08034	10.6
135.11665	9.4
137.05991	8.2
137.09583	9.6
139.07556	14.9
141.07028	10.6
142.07780	8.6
143.08537	31.6
145.06471	8.9
145.10115	42.3
147.08026	15.5
147.11662	19.4
149.09612	15.8
155.07100	11.1
155.08539	30.8
156.09395	12.1
157.10129	22.2
159.08058	17.2
159.11678	49.0
161.09607	14.7
161.13280	13.2
167.08505	11.0
169.10127	51.6
171.08070	13.3
171.11703	24.5
173.09604	19.9
173.13260	22.4
175.11224	11.4
181.10175	7.4
183.11716	30.2
185.09528	14.7
185.13283	24.6
187.09637	29.6
187.11089	14.7
187.14778	11.7
188.09891	11.8
195.08383	11.0
195.10156	66.1
195.11743	14.3
197.09535	9.8
197.13245	18.1
199.11192	17.0
201.09090	7.4
201.12717	26.4
209.13223	16.8
211.11186	19.2
211.14810	10.9
213.12767	28.3
215.10689	10.3
215.14381	9.6
219.13753	13.9
221.13272	7.9
225.12700	7.4
227.14316	14.6
229.12247	26.1
231.13809	18.7
235.14871	10.3
237.12659	9.3
239.06920	13.2
241.04704	8.3
243.13918	10.1
245.15280	12.0
255.13675	14.5
267.06488	40.1
268.06873	73.6
281.08047	8.1
281.15396	10.2
282.08420	9.7
283.16925	11.6
287.04990	12.7
295.09134	9.5
297.07541	20.9
298.07880	42.6
300.09421	10.3
301.06955	8.7
302.07495	14.9
310.07956	9.6
313.10556	7.6
314.07471	12.8
315.08197	14.0
323.20105	15.2
329.10080	33.4
330.10541	52.0
354.10492	12.1
368.12070	13.2
371.10815	12.1
385.12616	20.4
386.13025	54.3
403.25970	10.8
413.15845	17.8
414.16315	54.4
415.16122	7.9
417.27832	19.5
427.26645	9.9
435.28827	10.9
445.27173	25.3
463.28323	42.0
470.18845	27.3
471.51044	8.7
481.29672	41.7
488.19803	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11515	2.6
52.02982	2.6
55.05514	6.3
67.05508	18.2
69.03397	2.8
69.07063	3.3
69.10410	15.7
69.10830	11.7
78.66414	2.7
79.05502	8.8
81.07052	9.2
83.04982	6.5
91.05494	15.9
93.07045	15.1
95.04971	2.9
95.08604	25.2
105.07030	24.3
107.08578	14.8
109.06552	5.3
109.10170	24.2
111.04443	3.8
111.08109	5.9
117.07078	3.4
119.08592	32.4
121.06520	5.4
121.10150	9.5
123.08105	10.9
123.11691	3.6
129.07034	5.3
131.08565	10.1
133.10136	26.0
135.08032	6.1
135.11703	14.4
137.09622	28.2
142.07790	6.0
143.08583	10.9
145.10130	17.3
147.08015	3.4
147.11711	9.8
149.09636	6.1
151.11201	7.0
155.08563	5.7
156.09224	3.4
157.10115	15.9
159.08061	6.8
159.11646	13.4
161.09639	18.3
161.13298	4.4
163.11154	4.9
169.10138	8.2
171.07965	4.3
171.11720	9.0
173.09651	8.1
173.13306	6.7
175.11214	9.7
177.12846	3.3
179.10677	7.3
183.11649	7.1
185.09650	4.9
185.13309	9.4
187.11240	6.0
187.14854	6.0
189.12782	9.2
193.10170	3.7
195.11710	6.6
197.13290	8.2
199.11201	4.2
199.14793	5.3
201.12794	11.0
207.11690	5.3
209.13260	8.4
211.14824	5.4
213.12717	5.2
213.16362	5.6
215.14313	3.7
221.13223	4.8
223.14789	7.8
225.12810	4.0
225.16449	3.2
227.14305	8.8
239.14334	5.4
249.16473	3.6
267.17273	3.0
279.17447	4.5
283.16763	3.5
297.18607	4.0
315.19571	12.3
329.21185	9.9
335.83279	3.2
383.25848	4.5
395.29300	9.8
403.26227	7.1
419.29300	6.9
421.27271	19.7
427.26065	3.1
435.28751	5.7
436.29269	7.5
437.30252	5.4
439.28445	100.0
440.28757	9.3
445.27353	5.5
454.30533	3.5
455.31192	4.5
463.28519	18.7
464.28629	4.2
480.28412	4.2
481.29523	40.7
482.29694	4.4
498.28925	4.7
499.30350	3.8
517.25043	17.6
527.69537	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	15.4
57.03432	4.2
57.07064	10.8
67.05501	14.5
67.65437	2.4
69.03404	5.5
69.07081	11.5
69.76326	12.6
71.04997	3.2
73.06531	2.9
79.05490	10.5
81.07051	18.8
83.04977	8.6
83.08614	5.6
85.02908	3.5
85.06544	10.7
89.76235	2.3
91.05486	27.9
93.07020	14.5
95.04956	5.7
95.08604	36.0
97.06538	2.9
103.03913	3.5
103.05455	19.7
105.07008	13.4
107.08588	18.7
109.06493	4.9
109.10175	6.9
111.03420	2.4
111.08080	8.0
115.07597	3.6
116.85655	2.4
119.08575	13.4
121.10152	9.1
125.09647	3.6
127.07539	7.0
131.04933	38.2
131.08553	4.8
133.10126	100.0
135.08063	2.9
135.11664	7.2
137.06036	3.3
139.11209	4.4
143.08577	4.7
145.10173	10.3
147.08055	4.9
147.11725	6.7
149.09604	33.0
153.09094	9.7
157.10133	9.6
159.11749	13.9
161.09616	3.1
161.13245	4.2
163.11081	2.5
163.14835	6.1
167.07048	6.3
169.10147	3.8
171.10173	16.3
171.11627	5.6
173.13249	9.6
175.11168	4.1
175.14859	2.6
183.11662	5.9
185.13284	5.0
187.14702	3.1
189.11284	15.6
197.13321	3.3
199.14758	4.6
205.12207	2.5
209.13229	4.2
211.14828	3.6
237.16591	2.8
239.14188	2.8
243.17615	3.1
247.16945	2.7
262.25467	4.3
269.18912	3.0
285.18234	4.6
301.21518	2.9
337.20053	3.2
341.24747	2.9
363.83420	2.7
421.31049	4.0
431.29590	3.1
435.32645	3.4
449.30447	5.5
453.33658	19.2
463.32172	2.9
481.33087	67.1
482.33469	7.2
493.30737	2.5
499.34491	2.7
516.47198	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	32.4
57.43344	6.9
60.05650	10.1
67.05504	33.0
69.07061	24.3
69.33139	53.9
73.06555	10.3
79.05489	30.5
81.07068	79.3
83.08629	19.5
84.16474	7.4
87.04446	7.5
91.05490	24.4
93.07057	69.9
95.08612	58.7
97.10159	26.5
105.07040	54.4
107.08589	76.7
109.06519	11.1
109.10166	55.0
113.02359	7.7
115.07543	26.5
119.08583	71.5
121.06505	9.0
121.10146	100.0
123.04391	8.5
123.08028	10.1
123.11710	23.2
125.09629	8.6
131.08568	21.4
133.10135	84.0
135.08052	11.6
135.11713	31.9
137.06003	61.9
137.13243	13.1
145.10153	29.6
147.11659	35.3
149.13246	10.0
157.10126	18.4
157.12260	20.9
159.11726	31.1
163.14812	10.2
171.11714	17.5
173.13248	27.9
175.11185	19.1
175.14790	21.0
177.16267	9.3
185.13295	15.5
187.14896	10.7
189.16399	9.7
195.13722	9.0
198.16357	8.9
199.14816	11.7
201.12625	8.8
203.14308	11.0
213.12701	14.8
215.14490	10.8
215.17949	12.6
227.14288	10.1
229.19557	15.1
237.18576	14.8
243.13852	10.5
245.15419	10.4
249.18623	12.7
262.25262	19.5
315.23181	10.3
339.26990	11.3
371.29523	60.8
431.29453	22.2
445.26523	7.6
449.30560	52.2
453.33478	10.1
481.33099	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.0
55.05502	13.4
67.05492	15.3
69.07059	15.1
69.55371	21.8
71.44729	3.9
79.05490	17.2
81.07067	33.3
83.08612	13.6
83.54428	3.8
85.06579	4.2
87.04456	3.8
91.05478	19.9
93.07040	28.7
95.04973	7.2
95.08609	64.6
97.06546	6.6
97.10178	7.7
98.23412	6.1
99.04436	5.4
103.05474	54.3
105.07028	25.8
107.08605	41.8
109.06554	5.6
109.10143	35.2
111.08095	4.3
117.07008	5.3
119.08584	36.0
121.06501	4.3
121.10133	47.4
123.08024	5.0
123.11701	14.2
129.06961	5.3
131.04927	100.0
131.08580	10.5
133.10127	32.7
135.11696	20.8
137.13281	5.4
143.08588	7.9
145.10107	18.5
147.08075	7.2
147.11705	20.4
149.09660	6.4
149.13243	8.5
153.09111	6.1
157.10114	8.0
159.11676	23.2
161.09590	8.2
161.13254	23.4
163.14783	5.0
167.10695	6.7
169.10153	6.3
171.11696	8.5
173.09721	6.4
173.13280	12.3
175.14949	6.7
177.16365	5.6
179.10512	4.9
181.12292	3.7
183.11719	6.5
185.13245	7.0
187.14801	5.9
189.12772	5.9
189.16376	9.6
194.10823	4.2
197.13275	4.6
199.14915	5.8
203.17999	4.9
213.16579	4.8
215.14203	4.2
215.17851	5.0
217.15897	7.5
221.15338	7.7
223.16870	8.6
233.15451	7.5
235.16937	18.7
241.19495	5.1
247.17032	7.9
249.18550	11.4
329.24557	4.6
343.26239	15.9
369.16705	5.8
387.17926	22.4
398.13052	4.7
425.33929	11.6
435.32596	17.0
449.30383	8.7
453.33722	24.1
454.33353	5.5
471.34991	32.2
485.19412	7.3
516.31415	10.9
516.39484	9.8
516.73938	4.7
517.22247	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.8
51.02390	2.3
53.03948	8.7
55.01871	0.4
55.05505	0.8
56.05853	0.3
63.26037	0.2
67.05499	0.7
70.82229	0.2
71.30046	0.4
75.04462	0.7
75.23161	0.3
77.03922	1.8
79.05493	0.5
81.03426	1.3
81.07050	0.4
83.04979	1.1
91.05472	0.5
93.07026	0.4
95.04355	0.6
95.04968	11.0
95.08595	0.5
105.03393	100.0
105.04534	5.7
106.03731	2.0
109.06508	0.2
111.88895	0.2
119.08563	0.3
122.95242	0.2
123.04449	0.5
133.10197	0.4
141.07051	0.3
145.06331	0.3
145.10126	0.6
163.03995	0.5
165.07022	0.4
167.07088	0.4
175.03955	0.7
178.07771	0.6
179.08530	0.4
181.06425	0.3
184.07391	0.3
189.06975	0.7
191.08598	0.3
195.06516	3.0
195.08060	0.3
197.05986	0.5
198.03163	0.3
205.06528	0.6
207.08090	0.7
209.05772	0.3
211.03856	0.4
211.37311	0.3
212.04672	0.5
213.05510	1.0
218.07341	0.4
219.08096	1.2
221.06065	0.6
221.09708	0.3
223.07474	0.7
225.05495	0.4
226.06255	0.5
227.07045	0.9
231.08061	0.3
233.06058	0.7
234.06781	0.8
235.07513	1.7
236.08261	0.4
237.09045	0.4
238.06204	0.3
239.07056	0.5
240.04219	0.4
241.04984	0.4
243.06445	0.3
245.05946	0.3
246.06645	0.3
247.07629	0.8
248.08356	0.6
249.05519	0.8
249.09142	0.8
250.06136	0.5
251.06958	1.3
252.04005	0.4
252.07816	0.4
253.04825	0.5
253.08592	0.5
259.07562	0.4
261.05505	0.6
262.06198	0.8
263.07034	2.9
264.04251	0.4
264.07770	1.1
265.05060	0.6
265.08618	0.8
266.05783	0.8
266.09189	0.3
267.02930	0.8
267.06537	1.4
267.10352	0.3
269.04434	3.7
273.05667	0.3
274.06183	0.6
275.07175	1.3
276.04129	0.3
276.07779	1.3
277.04944	0.8
277.08554	2.0
278.05823	0.6
278.09229	0.5
279.06546	1.8
279.09714	0.4
280.03860	0.4
280.07214	0.6
281.04529	0.7
281.08145	0.8
282.01804	0.3
283.06155	0.4
283.09662	0.7
287.06882	0.4
289.04990	0.5
290.05728	0.8
291.06516	2.9
292.07178	2.4
293.04633	0.5
293.08032	1.8
294.05194	0.7
294.08728	0.6
295.02811	0.4
295.06015	1.4
295.09586	0.7
296.03473	0.3
296.06729	0.5
297.04016	1.5
297.07120	0.4
298.04742	0.4
302.05728	0.7
303.06485	1.9
304.07242	1.2
305.04489	0.7
305.08087	2.0
306.05499	0.5
306.08914	0.9
307.05951	1.3
307.09668	2.7
308.10379	0.7
309.07578	1.4
309.11252	1.2
310.08319	3.7
311.05518	1.3
311.08957	0.7
312.06253	2.5
313.07080	1.1
313.10654	0.5
315.06522	0.5
316.07367	0.5
317.04645	0.4
317.08081	0.9
318.05289	0.4
319.06003	2.3
319.09583	0.5
320.06741	1.6
321.07535	3.7
322.08350	0.8
323.05670	0.6
323.09229	0.6
324.06296	0.6
324.09842	0.4
325.07047	0.7
326.07843	0.5
330.05344	0.3
331.05933	0.6
333.07510	2.3
334.08298	2.1
335.05484	0.6
335.09018	4.1
336.06161	0.5
336.09885	4.3
337.07040	1.2
337.10733	2.3
339.08585	1.2
339.12341	1.7
341.10172	5.0
344.07031	0.3
345.07706	1.0
346.08292	0.5
347.05472	1.4
347.09067	0.6
348.06146	0.5
349.06976	1.0
349.10776	1.0
350.07861	0.8
351.08847	0.6
352.09387	1.2
353.10184	1.2
361.07034	0.5
362.07724	1.3
363.08752	2.0
364.09369	2.3
365.06229	0.5
365.10245	4.2
367.11755	8.3
377.10205	6.4
378.10400	0.6
379.18845	0.4
380.08969	1.0
395.11246	9.8
396.11594	0.6
455.25659	1.7
457.12616	0.4
473.26703	2.8
474.20291	0.3
499.13797	0.6
499.24405	2.5
517.14880	0.6
517.25580	14.2
518.25983	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39160	0.6
54.38114	0.6
55.39507	0.6
56.96562	8.6
70.06596	1.2
71.29384	0.8
76.58270	0.7
91.05412	0.7
98.90358	0.6
98.97578	19.8
110.07145	0.9
110.97546	1.7
116.98631	7.8
123.04444	1.1
128.98648	1.4
132.35442	0.8
134.99649	1.5
139.03853	0.8
144.08089	2.4
147.04456	0.8
158.99648	8.8
160.99158	2.6
163.03879	1.2
167.07135	0.7
177.00716	6.3
177.05478	0.7
179.00163	7.4
180.01007	0.8
193.01694	16.9
193.03337	1.1
193.98955	0.7
194.02167	0.9
197.01213	7.4
198.02025	1.5
206.02448	1.6
208.86049	0.6
211.02785	14.7
213.04341	0.9
215.02333	1.3
219.01817	4.9
221.04742	4.3
224.03522	7.3
229.03865	1.7
234.04524	0.7
237.04463	28.4
238.04666	1.0
239.05894	47.2
240.02957	4.1
240.06364	0.9
242.04622	36.1
243.05022	1.3
247.06502	0.6
255.05414	4.9
257.06958	80.3
258.04361	1.4
258.07349	3.6
260.05685	16.9
265.07462	3.0
275.07986	8.3
276.83145	0.6
280.08670	2.0
280.37146	0.6
281.06894	4.4
283.08588	4.8
295.08542	17.0
299.08014	1.3
311.23294	0.7
313.09589	26.6
314.09845	1.6
331.10666	2.3
336.11166	1.0
355.10626	2.2
367.10947	1.4
369.12140	0.7
383.10129	3.3
391.10822	0.8
397.11703	3.1
433.80963	0.7
457.13791	100.0
458.14090	7.0
475.14948	9.0
517.16449	2.8
541.77100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.2
51.02380	0.4
51.86719	0.2
52.08284	0.2
53.03950	1.9
54.47348	0.2
55.01884	0.2
55.05510	0.4
66.57411	0.2
67.05504	0.6
69.07067	0.5
69.14218	0.9
69.14646	0.9
77.03933	0.8
79.05505	0.3
81.07058	0.7
82.41956	0.2
83.08613	0.3
91.05483	0.6
93.07024	0.6
95.04974	2.4
95.08624	1.0
102.04680	0.6
103.05466	52.9
104.05794	1.4
105.04524	0.8
105.07038	0.4
107.08598	0.7
109.10138	0.3
117.06927	0.2
119.08595	0.7
121.10120	0.6
131.04924	100.0
132.05255	3.3
133.10143	0.7
135.11742	0.5
143.08580	0.3
144.08139	0.3
145.10075	0.3
147.11685	0.3
157.10199	0.2
167.07111	0.2
173.13246	0.3
220.14439	0.2
262.25253	0.3
326.28918	0.2
432.29504	0.3
450.30771	0.8
482.33282	0.8
517.37640	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81151	0.4
59.04611	0.4
60.53676	0.5
67.05498	0.4
79.05511	0.4
81.23207	0.3
91.05515	0.6
93.07050	0.5
105.03376	2.9
105.07011	0.5
109.10199	0.4
127.80396	0.4
229.32344	0.4
309.85974	0.5
499.22537	0.9
517.23523	100.0
518.23853	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2361
Annotation	13(S),14(S)-epoxy Fluprostenol isopropyl ester
Peak:m/z	Relative Intensity
55.05499	1.2
58.74566	1.0
60.05855	1.0
69.04321	2.3
69.04710	10.7
72.62309	1.0
76.00291	1.0
89.70263	1.1
93.93819	1.0
183.86237	1.0
235.46628	1.3
260.96262	1.0
278.26447	1.2
473.26733	2.1
474.20386	1.2
499.22638	5.5
517.23669	100.0
518.24005	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.01870	6.0
55.05513	14.0
56.96560	2.0
57.03431	2.1
57.07067	2.0
59.04995	2.9
65.03946	2.3
67.05507	15.6
69.00903	17.1
69.03423	23.7
69.07063	8.9
71.05002	5.3
79.05486	18.5
81.03426	2.6
81.07059	29.7
83.04977	22.2
83.08602	3.5
85.02903	4.5
85.06546	5.7
87.04452	2.0
91.05476	21.5
93.07035	26.0
95.04955	15.2
95.08605	30.1
95.09177	3.2
96.08909	2.4
97.02891	2.9
97.03738	1.7
97.06542	6.8
97.10172	3.1
98.97598	2.7
99.04437	5.0
101.05996	2.1
105.07032	32.7
107.04980	6.0
107.08600	21.9
109.06507	23.9
109.10164	7.3
111.04461	2.9
111.08071	14.1
115.05458	4.7
117.07009	14.2
119.04949	2.2
119.08585	21.0
121.06522	16.9
121.10121	11.5
123.04416	1.8
123.08067	35.0
123.11723	5.1
124.08366	1.8
124.99967	1.7
125.06004	3.6
125.09640	5.7
127.07509	2.8
128.06236	5.9
129.06989	12.0
130.07755	3.2
131.04900	2.1
131.08562	21.1
133.06502	7.1
133.10132	17.7
135.04497	1.7
135.08046	17.3
135.11670	2.9
137.05991	10.5
137.09625	6.2
137.80896	1.7
139.07489	10.8
140.60760	1.8
141.06996	5.4
142.07770	7.5
143.08545	21.2
144.09315	3.0
145.06490	7.0
145.10120	22.5
146.07237	2.7
147.08049	14.0
147.11690	6.1
149.05975	6.8
149.09602	10.3
151.07532	6.9
151.11211	7.4
153.07004	3.9
154.07730	3.5
155.08548	15.4
156.09351	4.6
157.06487	2.1
157.08873	2.8
157.10121	23.0
158.07330	2.8
159.08058	13.8
159.11684	28.6
161.05960	3.0
161.09648	15.7
161.13310	3.4
163.07547	7.4
163.11188	7.2
165.05551	2.5
165.06944	3.5
165.09099	2.6
166.07854	1.8
167.07059	3.1
167.08548	7.8
168.09302	4.9
169.10153	11.4
171.08022	9.1
171.11636	11.4
172.08783	3.6
173.09602	19.9
173.13298	9.3
175.07518	8.7
175.11177	9.7
177.05429	2.3
177.09117	7.9
179.08554	6.1
179.10670	4.4
180.09357	2.6
181.10115	8.7
183.07997	4.2
183.11681	13.4
185.09619	11.8
185.13255	4.2
186.10374	2.7
187.07544	3.8
187.11232	12.7
189.09122	8.1
189.12764	6.7
191.07051	2.2
191.10695	6.1
192.09386	2.0
193.10117	9.0
195.08159	3.2
195.10104	2.7
195.11690	9.3
196.08736	3.1
197.09633	6.0
197.13261	3.3
199.07457	2.5
199.11183	12.8
199.14902	2.4
200.11958	3.2
201.09102	5.5
201.12708	14.1
202.09868	2.2
203.10689	6.0
205.10196	4.2
205.12148	3.7
207.10110	4.5
207.11765	5.0
209.09602	5.4
209.13341	9.7
210.10376	2.8
211.11192	8.3
211.14761	4.4
213.09148	3.8
213.12750	6.1
215.10643	5.2
217.12134	4.2
218.10869	2.5
219.10023	2.5
219.11874	2.4
220.12553	2.4
221.13292	6.7
222.10411	3.6
223.11218	5.1
223.14841	5.4
225.09045	2.8
225.12718	8.2
227.10703	6.2
227.14279	4.9
229.12201	6.7
231.10011	3.8
233.13399	4.5
235.11162	3.5
235.14909	4.5
237.12712	6.0
239.10608	2.5
239.14331	5.5
239.48849	1.9
241.12253	4.0
243.13869	2.3
245.11604	3.0
247.14886	2.4
249.12814	3.9
249.16385	4.4
251.14328	7.8
251.18375	2.2
253.12242	4.8
253.16023	3.8
255.10168	3.4
255.13785	2.5
257.11758	2.5
259.14877	2.4
261.12866	3.5
263.14294	2.9
265.12506	1.8
265.15857	4.5
267.13971	4.7
267.17416	3.8
269.15405	4.0
273.15973	2.1
275.14331	3.1
277.15741	5.3
279.12195	2.5
279.17224	2.4
281.11816	2.4
281.15341	5.5
281.18961	3.0
289.10739	5.7
291.17322	4.1
293.15189	2.2
295.16898	4.0
297.15048	2.0
299.16345	2.9
305.15271	2.5
305.19128	2.1
309.14911	3.6
309.18478	2.5
311.16483	3.0
311.19998	3.5
317.08264	5.2
319.16870	6.9
321.18329	3.3
329.13834	3.1
337.17755	4.1
347.16132	2.8
351.19345	3.8
355.19284	3.1
355.24603	3.6
361.17984	4.2
365.17474	4.9
365.21381	3.1
367.18954	2.7
373.21783	2.0
375.19208	2.3
379.18976	12.3
383.18491	3.9
389.21274	3.3
391.22729	3.5
393.19989	8.5
393.24515	5.0
395.18451	5.2
397.20035	4.5
407.22144	5.8
409.23676	12.7
411.21359	6.6
411.26022	14.8
413.19510	4.9
417.20621	6.0
421.19821	9.1
423.25317	20.3
427.24741	13.9
435.21225	20.2
437.23148	4.7
439.20987	13.6
441.26474	4.2
445.19986	3.2
453.21802	20.0
455.24405	3.7
457.21484	11.5
463.20975	20.6
464.21149	2.2
469.26144	3.4
471.23599	7.4
481.22198	84.2
482.22629	10.3
487.26926	4.5
489.05893	2.2
499.23227	100.0
500.23462	10.4
517.23730	37.8
518.24414	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53727	0.6
53.03944	0.8
55.01876	1.4
55.05507	2.5
57.03439	1.3
67.01371	0.6
67.05508	4.1
69.03434	5.6
69.07067	1.2
71.04985	1.4
71.30003	1.2
79.05493	4.5
81.03422	0.8
81.07060	5.5
83.04984	3.9
85.02895	1.0
85.06533	1.8
85.54746	0.6
91.05476	6.7
93.07044	4.6
95.04961	6.0
95.08603	7.5
95.39398	0.6
97.02896	0.8
97.06534	4.3
99.04453	3.0
103.05478	1.2
104.02469	0.6
105.07038	11.1
107.04948	1.1
107.08593	5.9
109.06535	8.0
109.10136	1.1
111.04447	1.1
111.08115	3.9
115.05489	1.2
116.06242	0.7
117.07023	5.5
119.08574	9.5
119.09339	0.9
121.06516	4.3
121.10167	3.0
123.04398	0.8
123.08061	9.8
123.11747	1.2
125.09644	1.1
128.06216	2.4
129.07028	3.3
130.07799	1.3
131.08571	10.8
133.06543	2.4
133.10124	6.4
135.08041	5.8
135.11716	1.6
137.05969	3.1
137.09618	2.1
139.07556	2.0
141.07005	2.5
142.07755	3.4
143.08574	8.4
144.09348	2.6
145.06516	1.4
145.10127	7.3
146.07219	1.1
147.08011	3.1
147.11700	2.0
149.05989	1.4
149.09665	4.0
151.07544	15.7
153.06982	1.3
154.07817	0.7
155.07373	0.7
155.08549	3.3
156.09325	1.4
157.06560	0.8
157.10112	7.5
158.10869	1.2
159.08153	3.8
159.11705	16.9
160.12068	0.9
161.05994	1.0
161.09613	5.6
161.13341	0.7
163.07513	1.4
163.11162	1.3
165.06999	1.2
165.09154	1.6
167.08522	1.5
168.09361	1.7
169.10138	5.7
171.08057	2.2
171.11678	2.9
172.08873	0.9
173.09615	5.0
173.13260	3.6
175.07513	1.5
175.11171	3.1
177.09142	2.1
179.08560	0.9
179.10643	0.8
180.09314	0.9
181.10149	2.3
182.10994	0.9
183.08052	0.6
183.11693	5.2
184.12451	0.8
185.09596	4.5
185.13292	1.7
186.10435	1.2
187.11156	3.8
189.09119	4.0
189.12761	1.0
191.08575	0.9
191.10683	1.9
192.09372	1.0
193.10226	2.0
194.10884	1.0
195.10159	0.8
195.11792	1.8
197.09637	2.0
197.13277	1.1
199.11127	2.8
200.11827	1.0
201.09245	1.4
201.12732	11.1
202.13251	1.0
203.10706	2.2
206.11018	0.8
207.10158	1.5
207.11766	1.5
209.09770	1.2
209.11533	0.9
209.13301	2.2
211.11223	3.4
211.14848	0.6
213.12737	2.2
215.10692	1.3
217.12282	1.2
219.11806	0.8
221.13361	0.8
223.11330	1.5
223.14862	1.2
225.12744	1.5
227.10706	2.3
227.14386	2.0
229.12195	1.7
231.10068	1.1
233.13455	1.2
235.14964	1.0
236.11914	0.9
237.12712	1.2
239.10785	1.1
239.14284	1.2
241.12306	1.0
241.15938	0.7
247.11252	0.9
247.14890	1.1
249.12819	1.1
249.16614	1.1
251.14627	1.3
253.12332	1.5
255.13716	0.8
257.15613	1.0
260.12076	0.8
265.16025	0.8
267.13718	1.2
267.17392	1.6
269.15625	1.1
277.15927	2.4
278.16403	0.7
281.15543	1.0
283.13113	1.0
285.14874	1.1
287.12894	0.9
291.17526	1.4
295.17041	2.0
309.18494	1.4
311.16434	1.1
319.16928	2.4
321.18655	0.8
323.16565	0.9
323.19943	1.2
333.13248	5.6
333.18719	0.7
335.16528	0.8
337.17990	2.9
341.20999	1.0
347.16440	1.0
351.14441	3.2
351.19577	1.3
369.20587	1.4
379.19150	1.1
389.21161	0.8
391.22824	1.8
393.20578	1.8
395.22473	0.8
409.23849	2.7
411.21841	2.2
417.20618	1.6
419.22186	1.0
421.20020	1.1
427.24988	0.8
429.22534	0.9
435.21710	6.3
437.23291	2.5
439.21164	1.4
445.19989	1.1
453.22736	7.1
455.24673	3.4
463.21027	4.5
471.23767	5.6
481.22137	14.0
482.22623	1.0
487.15381	0.8
499.23193	14.8
500.23956	1.1
517.24335	100.0
518.24805	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.5
55.01868	4.1
55.05515	11.2
57.03426	5.0
59.04969	1.5
61.27245	1.7
67.05502	8.3
69.03432	12.9
69.07078	8.8
71.04992	4.0
71.30645	2.6
73.02917	1.5
74.44531	1.7
79.05493	10.9
81.03423	3.3
81.07057	23.0
83.01328	1.5
83.04984	21.1
83.08624	2.6
85.02914	3.6
85.06544	2.8
91.05471	22.3
93.07034	17.3
95.04973	9.0
95.08594	19.0
97.02872	2.6
97.06531	5.5
97.10196	2.1
99.04449	2.9
103.80577	1.7
105.07032	27.3
107.04985	3.9
107.08594	15.2
109.02824	2.3
109.06506	16.8
109.10121	4.4
111.08093	8.5
115.05471	2.8
117.07020	13.2
119.04983	2.1
119.08582	19.6
121.06516	15.2
121.10130	8.9
123.04418	4.6
123.08068	17.2
125.05976	3.5
125.09602	4.1
127.07491	3.0
128.06215	6.8
129.06996	7.2
130.07790	2.2
131.04901	1.8
131.08571	17.7
133.06491	5.4
133.10130	12.1
135.08081	10.7
135.11687	2.6
137.05969	10.5
137.09607	4.8
139.07536	6.3
141.06955	5.1
142.07779	6.0
143.08559	21.4
144.09276	4.4
145.06461	7.3
145.10115	16.4
146.07277	1.6
147.08058	8.0
147.11685	5.8
149.05965	3.7
149.09634	8.2
149.13278	1.7
151.07550	10.4
153.05492	2.3
153.06995	2.2
154.07779	2.0
155.07242	1.5
155.08565	10.0
156.09332	3.0
157.10133	15.3
158.07237	3.1
158.10838	2.0
159.08086	12.2
159.11673	18.3
161.05997	2.1
161.09605	18.6
163.07552	4.2
163.11169	5.6
165.07045	2.2
165.09138	3.5
166.07767	2.5
167.07068	3.7
167.08540	4.5
168.09290	4.8
169.10120	13.0
170.07181	2.1
171.08067	6.9
171.11673	8.1
172.08859	3.4
173.06041	3.0
173.09644	12.6
173.13280	5.8
174.10416	2.0
175.07512	6.8
175.11218	9.3
177.09088	5.7
177.12750	2.0
179.08530	3.2
179.10722	1.9
181.10164	5.7
182.10870	2.9
183.08043	4.9
183.11710	12.2
185.09660	11.0
185.13223	3.5
187.07552	6.6
187.11165	12.0
188.11787	1.9
189.09125	12.4
189.12668	3.7
191.08527	1.6
191.10709	4.9
193.10165	4.3
194.10928	2.7
195.08023	2.9
195.11696	6.5
197.09593	6.2
197.13225	5.8
199.07669	1.9
199.11183	9.5
201.09055	5.0
201.12730	13.6
203.10643	5.6
205.08562	3.0
205.10268	1.7
205.12213	1.9
207.10019	2.5
207.11670	5.0
208.08807	1.6
208.12411	2.9
209.09636	4.3
209.13269	6.3
211.11169	8.2
211.14897	3.1
212.11688	1.9
213.09082	5.2
213.12726	4.7
213.16096	2.0
215.10719	4.2
217.10274	1.9
217.12154	2.8
219.11800	3.9
221.09627	3.1
221.13225	4.9
222.10329	3.8
223.11252	2.5
224.08273	1.6
224.11877	2.0
225.09055	2.0
225.12706	5.1
227.10698	4.8
227.14325	4.9
229.12247	4.7
231.13907	2.8
232.12273	2.1
233.13200	4.5
235.11165	4.3
235.14827	3.7
236.11871	2.2
237.12704	7.0
239.10634	4.8
239.14319	4.0
241.12169	2.1
241.15863	2.2
245.09557	2.8
247.11182	3.2
248.12108	1.5
249.12909	1.7
250.13219	1.8
251.10774	2.8
251.14252	6.0
253.12302	3.6
253.15826	2.4
255.13913	3.7
257.11679	2.1
257.15445	2.0
259.15170	2.2
261.12610	4.6
262.13559	1.8
263.14331	3.2
265.15900	2.6
267.13828	3.5
267.17151	2.1
269.15375	3.2
277.15887	4.1
279.14188	1.7
279.17200	2.1
281.15332	3.8
283.13379	1.6
283.16809	2.3
287.13275	2.0
289.11865	2.0
291.17435	2.4
293.15213	3.1
295.13245	2.1
295.16891	3.3
301.15515	1.5
303.13815	1.9
303.17392	1.9
305.18604	3.0
307.16772	2.5
309.14807	2.2
309.18219	2.7
315.17474	2.0
317.15182	1.9
319.16943	3.3
321.18387	3.9
323.16281	2.8
333.13293	4.7
333.18585	4.5
337.17972	5.2
339.15872	2.6
339.19601	2.4
347.16263	2.5
349.17776	3.1
351.19678	2.5
361.17578	2.1
365.17303	3.6
367.19043	10.8
369.20520	4.4
373.21252	2.1
377.17361	2.1
379.18976	3.1
384.18881	4.8
385.20309	4.1
391.22595	2.7
393.20483	4.6
395.18387	36.8
407.22131	4.3
409.23718	5.1
411.21417	3.8
413.19684	30.6
414.20145	2.3
417.20505	5.1
419.21841	3.5
421.19986	5.9
422.20267	5.3
423.17575	2.7
427.24362	1.9
431.21484	9.1
435.21558	15.6
436.22025	2.7
437.23459	9.3
439.20993	7.8
441.18930	5.6
451.20346	2.6
453.22653	18.8
455.24338	16.0
457.22058	2.9
463.21017	15.6
469.22147	5.4
471.23553	7.6
481.22226	45.7
482.22250	6.1
496.79980	1.8
499.23190	61.8
500.23331	7.0
517.24176	100.0
517.36884	3.1
518.24500	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2434
Annotation	Arisanschinin J
Peak:m/z	Relative Intensity
53.03868	1.9
53.04094	0.7
55.01791	2.1
55.05429	4.8
55.05717	1.2
57.03352	2.0
65.03883	0.6
67.05411	4.9
69.03335	9.7
69.03744	1.1
69.06970	1.7
71.02081	0.5
71.04894	1.8
71.30613	0.7
79.05386	5.7
81.03333	1.1
81.06953	8.3
81.07458	0.8
83.04875	4.4
83.08546	1.2
84.84151	0.5
85.02797	1.4
85.06464	0.9
86.09621	0.6
91.05372	12.1
92.29214	0.5
93.06936	13.1
93.07565	1.0
95.04855	5.1
95.08487	7.7
97.06517	2.6
99.04372	1.0
100.54506	0.5
103.05410	0.8
105.04385	0.8
105.07024	13.3
105.07671	0.8
105.08611	0.6
105.09853	0.5
107.04847	2.3
107.08588	8.1
109.06513	25.1
109.10045	2.3
111.04332	0.8
111.08085	10.3
111.08760	0.6
115.03864	0.6
115.05355	1.4
116.06136	0.6
117.07024	4.8
118.08434	0.5
119.04809	1.7
119.05618	0.6
119.08578	12.5
121.06505	9.8
121.10132	3.5
122.12917	0.5
123.04301	0.8
123.08068	32.7
124.08332	0.5
125.05892	1.3
125.09497	1.1
128.06094	2.6
129.07001	7.7
130.07704	0.8
131.04861	0.6
131.08563	10.0
133.06494	4.0
133.10126	7.4
135.04332	1.1
135.08049	9.5
135.11557	1.7
137.05980	4.9
137.09615	3.5
139.07547	3.4
141.06830	2.0
142.07626	2.3
143.08562	10.1
144.09210	1.3
145.06516	2.9
145.10123	10.2
146.07123	1.7
147.08044	19.9
147.11684	6.2
148.08322	0.9
149.05829	2.0
149.09624	13.7
150.09888	0.7
151.07556	3.2
153.05501	0.5
153.06841	1.1
154.07669	1.1
155.07124	0.6
155.08511	3.3
156.09206	2.0
157.10109	7.3
158.10646	0.6
159.08037	8.7
159.11678	5.8
160.08694	1.7
161.05885	1.3
161.09615	20.1
161.13156	1.5
162.09947	0.8
163.07498	2.9
163.11166	4.9
165.06906	1.0
165.09106	3.6
167.07108	0.7
167.08437	2.1
167.10583	1.1
168.09215	1.1
169.08736	0.5
169.10115	4.6
170.07164	0.8
171.08096	3.0
171.11653	4.5
172.08685	1.8
173.09625	11.5
173.13130	1.9
174.10246	1.0
175.07550	12.9
175.11188	10.0
177.05527	0.7
177.09094	3.5
177.12758	3.0
179.08464	2.0
179.10551	1.4
181.09985	2.4
182.07156	0.6
182.10782	0.8
183.07938	1.8
183.11661	3.5
184.07199	1.5
184.08644	0.9
185.09613	5.0
185.13097	1.4
186.10251	1.4
187.07428	2.3
187.11177	10.9
188.11737	1.3
189.09109	6.8
189.12747	5.3
191.06972	0.7
191.10637	4.8
192.09293	0.7
193.08508	1.1
193.10037	2.9
195.07935	1.1
195.11678	2.9
196.08807	1.4
197.09624	3.6
197.13249	2.7
198.10254	0.9
199.07556	0.7
199.11168	5.1
199.14755	0.7
200.11722	1.0
201.09026	3.2
201.12805	3.2
203.08826	0.7
203.10649	5.0
203.14136	0.8
205.08453	2.0
205.10193	1.1
205.12091	2.8
206.10820	1.2
207.09930	1.3
207.11868	2.9
209.09509	2.1
209.13287	2.9
210.10266	1.1
211.07422	0.7
211.11208	3.7
211.14691	1.5
212.11783	0.9
213.08934	2.5
213.12738	2.6
214.09460	0.5
214.13387	0.8
215.10626	4.5
215.14072	1.5
217.08401	1.3
217.12228	3.0
218.10841	0.7
219.10017	4.7
219.11839	1.0
219.99203	0.6
220.12369	0.9
221.09679	1.1
221.13118	2.2
222.10246	0.9
222.13771	0.7
223.11101	1.6
223.14693	1.9
224.11781	0.8
225.09004	1.2
225.12575	2.5
226.09860	0.7
226.13303	0.8
227.10722	3.0
227.14211	2.0
229.08461	0.8
229.12080	2.4
231.09961	1.1
231.13719	1.3
232.12405	0.9
233.11432	1.0
233.13425	1.0
235.09262	0.8
235.11269	1.0
235.14908	1.1
236.11844	0.6
237.12787	3.8
237.16293	0.9
238.13435	1.4
239.10544	1.7
239.14330	4.0
239.17882	0.6
241.12164	1.8
241.15831	0.8
243.09990	1.2
243.13727	1.6
244.12355	0.6
245.11421	0.9
246.13736	0.8
247.09445	5.7
247.13063	1.4
247.15121	1.2
249.12605	2.5
249.16425	0.9
250.13414	0.7
250.17046	0.8
251.10606	1.0
251.14204	2.3
252.14873	0.9
253.12283	1.1
253.15788	1.2
254.12944	0.7
255.13654	2.3
257.11621	1.8
257.15283	1.0
259.13232	1.5
260.11847	0.6
261.10889	0.9
261.16531	0.7
262.13361	1.1
263.14478	1.1
264.14841	0.8
265.12170	2.0
265.15790	2.1
267.13699	3.6
267.17126	1.2
268.14328	0.8
269.15402	2.0
273.16293	0.7
274.13440	0.9
275.14508	0.8
277.15750	2.0
279.13718	1.6
279.17389	2.9
281.11868	0.9
281.15176	1.0
281.18906	1.3
283.13184	1.2
283.16757	0.9
287.13950	0.7
289.16028	0.9
291.13748	0.6
291.17111	1.4
293.15222	1.6
293.18704	1.3
295.13287	0.8
295.16910	1.0
297.18225	1.1
301.15726	0.6
303.12131	3.8
303.17319	1.4
305.15091	1.0
305.18726	0.9
307.13596	0.7
307.16824	3.2
307.19974	0.8
309.15164	0.9
309.18503	1.9
311.19882	0.7
317.15570	0.8
319.16766	2.0
319.20261	0.9
321.13364	2.1
321.18442	2.2
323.16217	1.6
323.19980	1.2
325.17935	3.7
331.16891	0.9
335.16241	3.1
335.19843	0.8
337.17816	1.8
339.15726	1.1
339.19470	1.2
341.17450	0.7
347.19971	0.8
349.17886	3.5
349.21661	1.2
351.19421	1.4
353.17490	1.5
355.18979	0.9
359.20123	1.0
361.21585	1.0
363.19739	0.7
365.17307	1.3
365.21185	1.2
367.19009	4.7
375.19562	2.0
377.17258	2.4
377.21246	2.9
379.18604	1.2
379.22797	2.0
381.20502	1.5
383.22198	1.7
385.16095	0.8
387.19449	2.0
389.21091	1.5
393.20602	6.0
395.17709	4.3
395.22949	4.9
396.18497	0.7
397.23798	9.8
403.18997	0.8
405.20755	5.2
406.20859	0.8
407.22119	7.0
411.21622	26.4
412.21945	1.8
413.19290	7.4
415.18610	1.0
417.20486	1.2
421.20068	6.9
423.21674	22.9
424.21991	1.4
425.23291	13.1
426.23557	0.9
429.22705	2.7
433.20123	6.4
435.21637	2.6
437.23190	1.2
439.21097	30.7
440.21478	2.7
441.22791	6.9
445.19989	1.2
451.21167	25.9
452.21429	2.0
453.22672	4.4
457.22229	21.8
458.22546	2.1
463.20853	4.0
469.22205	100.0
470.22464	10.1
471.23843	3.5
481.22128	8.0
481.29141	0.9
482.22284	0.9
499.23267	87.7
500.23566	8.2
517.24939	2.6
517.31982	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68384	0.4
53.03949	1.8
55.05505	1.3
67.05536	0.5
71.21435	0.5
73.12450	0.4
77.03936	0.5
79.05486	0.5
83.04978	1.1
83.46194	0.4
90.02400	0.4
95.04981	2.2
95.08633	0.4
105.03399	18.7
105.04530	1.3
105.07027	0.6
106.03765	0.5
107.08636	0.5
109.06551	0.5
145.02853	0.7
145.06404	0.6
156.83336	0.4
177.05461	1.1
195.06468	0.5
263.07089	0.5
265.11969	1.0
267.06396	0.5
269.04474	0.5
277.04996	0.4
291.06595	0.8
293.08301	0.5
303.06760	0.6
305.08310	0.6
309.10895	0.5
310.08298	0.9
312.06198	0.5
321.07623	1.1
333.07953	0.5
335.09360	0.5
337.10663	0.6
339.12207	0.6
341.10315	1.5
352.09323	0.5
353.10092	0.7
367.11874	1.5
377.10141	1.0
395.11218	1.5
417.20737	1.1
437.24487	2.4
446.27377	0.6
455.25677	1.4
464.28882	0.6
481.23557	7.1
499.24554	12.5
500.24789	0.9
517.25623	100.0
518.26013	11.0
532.26031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.91959	0.3
67.65446	0.2
68.22798	0.2
69.08398	2.3
83.04978	0.3
100.29405	0.3
105.01247	0.2
133.02632	0.9
180.96587	0.2
267.13565	0.7
285.77701	0.3
333.18393	0.4
347.16312	0.4
365.17197	3.0
397.21533	0.8
436.88165	0.3
437.24521	2.1
438.24588	0.3
453.24020	0.5
455.25519	2.3
456.26019	0.3
471.24884	0.3
473.26685	0.5
481.23544	2.3
489.50491	0.3
499.24442	7.4
500.25037	1.0
517.25604	100.0
518.18182	0.5
518.25922	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
61.69242	0.3
69.04163	0.3
70.31235	0.6
78.12059	0.3
81.07110	0.3
95.85092	0.3
95.85836	0.3
129.48628	0.3
133.02588	0.5
150.21332	0.3
219.34691	0.3
246.53494	0.3
246.65767	0.3
267.13641	0.4
327.26596	0.3
333.18045	0.4
347.16397	0.3
365.17236	3.1
397.21210	0.7
437.24426	2.1
453.23746	0.3
455.25684	2.6
471.24759	0.3
481.23447	2.5
499.24536	7.1
499.31357	0.6
500.25073	0.7
517.25604	100.0
518.26001	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01269	0.4
52.42480	0.5
53.06057	0.5
54.85529	0.4
55.05490	0.8
59.34206	0.4
67.05506	0.5
69.58967	0.9
69.59318	2.5
81.07052	0.6
83.04964	0.6
95.08623	0.9
98.23360	0.6
109.10085	0.6
116.18056	0.5
121.10107	0.5
123.11773	0.5
132.41255	0.5
133.10095	0.7
177.05417	0.7
185.13130	0.5
191.80676	0.5
213.12668	0.5
388.90829	0.5
415.22519	1.5
455.25623	5.8
473.26849	1.5
499.24536	33.0
500.25061	3.6
517.25616	100.0
518.25995	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85756	0.4
55.05518	0.5
67.05501	1.3
69.03440	2.4
69.07066	0.7
71.04971	0.6
79.05482	1.3
81.07052	2.2
83.04990	0.9
91.05474	1.5
93.07047	2.2
95.04945	0.8
95.08602	2.3
97.06573	0.6
105.07031	2.2
107.08604	1.1
107.15100	0.4
109.06506	1.2
109.10162	0.6
111.08075	0.9
117.07026	0.6
119.08572	1.7
121.06493	1.4
121.10122	0.8
123.08042	1.2
129.06995	1.0
131.08577	1.3
133.10150	1.5
135.08083	1.4
137.05981	1.1
139.07558	1.5
140.90340	0.5
141.06964	0.5
143.08534	1.6
145.10141	1.1
147.08061	0.8
147.11713	0.6
149.06042	0.6
149.09567	0.9
151.07584	1.2
157.10114	1.5
159.08069	1.0
159.11697	1.2
161.05972	0.7
161.09648	2.1
169.10153	1.3
171.08038	0.6
171.11783	0.8
173.09557	0.6
175.11122	0.6
181.10089	1.0
184.07434	1.0
185.09630	1.3
187.11185	0.8
193.10115	0.7
197.09599	0.6
199.11252	0.6
201.12772	0.8
205.08566	0.5
207.11732	0.6
208.50613	0.5
209.13402	0.6
225.12796	0.9
227.14508	0.5
237.12820	0.6
347.20175	0.5
353.10382	0.5
393.20679	0.7
403.19159	0.5
421.20166	1.3
435.21539	1.6
439.21136	1.0
441.25906	0.8
445.20074	0.5
453.22696	1.1
455.25284	2.0
463.21149	4.1
469.21832	0.8
481.22189	4.9
489.25717	0.5
499.23904	16.4
500.24182	1.5
517.25592	100.0
518.25964	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16628	1.4
51.59819	1.4
53.03942	3.0
55.05513	7.5
57.03458	1.5
65.03928	2.9
67.05505	9.6
69.03426	5.4
69.07067	4.3
69.23834	11.3
71.05016	1.6
71.38262	1.3
79.05473	4.7
81.03438	2.3
81.07056	9.0
83.04986	17.7
83.08601	1.8
85.02898	2.1
91.05473	13.5
93.07047	18.4
95.04964	4.2
95.08607	21.9
97.02882	1.9
97.06532	2.4
98.22558	1.8
99.04478	2.0
105.04515	1.4
105.07030	15.5
107.08590	12.3
109.06525	7.8
109.10147	3.8
111.04459	10.6
111.08071	8.4
115.05477	1.7
117.07020	4.8
119.08572	19.2
121.06509	6.3
121.10137	5.3
123.04446	1.3
123.08054	4.3
125.06065	1.4
127.07549	2.9
128.06180	3.6
129.07013	6.0
130.07762	2.2
131.08568	13.4
133.06456	1.9
133.10136	13.7
135.08031	4.6
135.11703	3.0
137.05946	3.0
139.07535	6.0
141.06972	5.1
142.07791	3.3
143.08560	10.8
145.06500	4.2
145.10135	13.8
147.08028	4.0
147.11691	6.4
149.09570	3.0
155.07271	1.8
155.08556	9.5
156.09323	4.8
156.13721	1.5
157.06496	3.2
157.10162	11.5
159.08058	8.5
159.11713	9.4
160.08885	2.0
161.05977	2.3
161.09610	5.9
163.07613	1.4
165.07037	5.8
167.08591	3.6
168.09392	1.8
169.10164	9.7
170.07231	1.7
171.08138	8.8
171.11726	8.7
173.08195	2.6
173.09625	11.6
173.13286	1.8
175.07614	1.6
175.11221	3.5
179.08594	4.3
180.09322	2.1
181.10123	5.9
182.10831	1.9
183.08092	5.1
183.11694	6.5
185.05931	2.6
185.09676	5.7
185.13293	5.0
187.07524	3.8
187.11172	4.7
189.09134	2.0
189.12761	3.2
191.10681	1.9
192.09306	2.2
193.10147	7.1
194.10925	2.2
195.08047	4.1
195.11688	6.7
196.12383	1.9
197.09596	7.2
197.13226	5.6
199.11237	5.1
199.14789	3.1
201.09145	9.4
201.12694	2.4
205.10194	3.9
205.12256	1.6
206.10904	1.9
207.11772	7.5
207.13455	1.5
208.08849	2.9
209.09602	6.2
209.13264	5.5
211.11185	6.2
211.14809	2.6
213.09203	2.6
213.12726	3.4
217.10234	3.0
218.10864	1.8
219.09955	2.4
219.11755	4.9
221.09668	2.9
221.13249	4.5
222.10303	2.0
222.13910	1.8
223.07594	1.6
223.11305	8.6
223.14769	3.1
225.09111	9.6
225.12761	6.2
227.10669	3.5
227.14337	2.5
231.11780	3.2
232.12543	2.6
233.09676	1.8
233.13228	5.9
234.13963	1.5
235.11191	3.6
235.14926	3.2
237.12798	4.5
239.10670	4.8
239.14316	3.7
241.12181	3.5
243.11717	1.7
244.12381	3.7
245.13264	3.3
245.15462	4.4
246.10266	1.8
247.11244	3.3
247.14711	3.8
249.12611	3.3
249.16382	2.6
251.10674	6.7
251.14255	3.4
253.12253	5.8
256.12402	2.7
257.13141	2.6
258.13980	1.7
259.11151	2.4
259.14810	4.6
261.12769	4.1
261.16220	3.2
262.13495	2.6
263.14337	3.9
265.12164	2.6
265.15994	2.8
270.13800	1.7
271.14700	2.2
273.12671	2.8
273.16348	2.2
274.13522	1.7
275.14285	2.8
277.12454	3.3
277.15909	5.8
285.16306	4.5
286.17227	1.6
287.14307	4.0
287.17764	2.5
289.12448	2.5
289.15851	5.2
291.13776	4.8
293.15311	2.3
293.18817	2.3
303.14063	1.9
303.17410	4.7
304.14478	1.6
305.15448	8.1
305.18787	2.4
306.16196	2.4
307.16864	2.8
313.15765	3.1
315.17465	1.7
317.15244	2.0
328.18121	3.1
331.17014	8.8
333.18527	3.4
335.20053	2.1
346.19232	3.1
387.19559	2.4
399.23117	5.4
401.24707	3.7
403.22568	4.3
405.20630	2.7
409.21439	3.2
417.24213	9.3
419.25653	2.9
427.22623	17.6
435.25180	3.5
445.23724	100.0
446.23932	11.0
463.24799	48.9
463.29849	1.1
464.25250	5.8
473.32245	1.8
481.25766	4.6
499.26654	27.8
500.27069	1.9
517.28772	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2799
Annotation	Micrandilactone B
Peak:m/z	Relative Intensity
53.03942	2.8
55.01851	2.2
55.05512	9.2
58.44074	1.2
58.45855	1.3
65.02622	1.4
65.03972	1.8
67.05502	12.7
69.03427	5.3
69.07043	2.4
69.07467	7.0
69.07896	6.9
71.04980	1.5
79.05482	6.4
81.03423	3.2
81.07066	10.3
83.04979	20.6
83.08641	2.0
91.05468	14.8
93.07040	19.6
95.04974	5.3
95.08606	23.6
96.18018	1.3
97.06537	3.9
100.11271	2.4
100.41610	1.5
105.07028	18.8
107.05022	2.2
107.08613	11.7
109.06512	8.6
109.10157	4.8
111.04444	13.9
111.08072	10.2
115.05457	1.6
117.07030	6.7
119.08578	22.9
121.06502	8.0
121.10141	4.8
123.08071	5.2
127.03902	1.6
127.07544	2.3
128.06264	4.9
129.06967	7.5
130.07762	1.7
131.08560	15.4
133.06450	3.2
133.10120	14.2
135.08038	5.7
135.11668	2.8
137.05995	3.4
137.09633	1.5
139.07523	5.6
141.07002	3.4
142.07799	7.1
143.08551	10.2
144.09366	2.5
145.06500	4.9
145.10100	15.4
147.08063	5.2
147.11694	8.6
149.09581	3.5
155.08551	12.1
156.09332	4.2
157.06462	2.3
157.10089	12.7
159.08057	9.7
159.11708	10.4
161.05975	2.8
161.09599	6.8
161.13222	2.7
163.07536	3.6
163.11177	1.8
165.07001	3.0
167.08546	4.3
168.09447	1.6
169.10129	11.3
170.07253	1.4
170.10922	3.5
171.08026	10.4
171.11665	8.3
172.08797	1.7
173.08217	2.6
173.09566	9.5
173.13235	4.3
175.11200	4.3
177.09074	1.6
178.07751	1.8
179.08588	4.3
180.09314	2.9
181.10126	6.2
182.07190	1.5
182.10910	2.1
183.08054	5.5
183.11656	10.3
184.08698	1.6
185.06053	2.8
185.09648	8.1
185.13246	6.0
187.07585	2.4
187.11172	8.1
189.08957	1.8
189.12773	3.5
190.07697	2.1
191.08583	1.9
191.10591	1.8
192.09296	4.4
193.10133	6.4
193.12106	1.3
194.10976	4.0
195.08057	2.8
195.11729	7.8
196.08763	2.8
196.12334	1.9
197.09633	6.1
197.13280	6.2
199.07492	1.7
199.11227	5.6
199.14804	3.7
201.09126	13.1
201.12761	2.8
203.08598	2.0
204.09335	1.9
205.10133	3.6
206.10884	2.7
207.11717	9.6
208.08830	4.3
208.12405	1.5
209.09573	4.5
209.13261	8.1
210.10272	1.7
211.07545	1.9
211.11177	7.1
211.14842	3.4
213.09108	1.7
213.12695	3.9
215.10605	1.6
217.10126	2.3
218.10840	1.7
219.10013	1.9
219.11855	2.5
220.12447	2.5
221.09692	2.7
221.13260	9.3
222.10408	2.5
223.11128	10.3
223.14790	2.1
225.09195	10.1
225.12720	9.1
227.10696	4.7
227.14316	3.9
229.10123	3.2
229.12251	1.8
230.10947	4.2
231.11737	3.5
232.12358	2.8
233.09700	3.0
233.13255	8.7
234.13985	2.7
235.11169	4.3
235.14815	3.4
236.11856	2.0
237.09143	2.4
237.12807	4.6
239.10529	4.4
239.14265	4.9
241.12204	3.6
243.11685	2.7
243.13904	2.2
244.12419	3.0
245.13232	5.6
245.15404	4.4
246.13914	2.0
247.11183	4.7
247.14827	3.4
248.11897	3.0
248.15613	1.9
249.12688	3.5
249.16225	3.2
250.13506	1.6
251.10730	10.1
251.14240	4.0
253.12263	7.2
253.15718	1.8
257.15372	3.2
259.14740	4.6
260.11847	1.6
260.15738	1.6
261.12726	5.9
261.16388	3.4
262.13663	3.0
263.10815	2.0
263.14310	7.3
265.12177	3.9
265.15961	2.5
266.27554	1.5
267.13910	1.7
271.14749	2.6
272.11948	1.9
273.12762	3.3
273.16147	2.5
275.14328	4.2
276.11197	1.3
277.12408	3.3
277.15820	6.4
279.13922	2.4
279.17300	3.0
283.16974	2.6
285.12778	2.6
285.16183	3.0
287.14240	3.8
287.17737	2.6
288.15295	3.0
289.12527	2.8
289.15918	6.1
290.16302	1.7
291.13794	5.2
291.17206	2.2
295.17029	3.0
299.17767	2.5
303.13931	1.9
303.17398	4.3
304.14587	3.1
305.15268	7.0
305.18661	2.9
307.17078	3.4
307.20419	1.9
311.13904	1.8
313.15793	3.8
314.15991	1.7
315.17349	3.0
317.15485	2.4
317.18881	2.8
323.16541	2.3
325.17908	1.7
327.22971	1.8
328.18216	3.3
331.16888	9.9
333.18314	4.8
335.19998	4.6
343.19080	2.9
346.19260	2.8
353.21359	3.5
355.26062	2.0
385.21494	2.5
395.30740	1.5
399.22992	7.9
403.22702	2.9
409.21475	4.8
417.24335	12.3
418.24426	1.5
419.25772	3.0
427.22638	19.3
435.25156	4.2
445.23734	100.0
446.24115	7.7
463.24762	50.1
464.24948	3.1
473.32541	6.9
481.25577	8.8
499.26630	17.3
517.28009	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.05495	4.7
57.03422	1.3
66.28678	1.3
66.65891	1.1
67.05515	5.1
69.03413	2.1
69.07071	1.9
70.18079	1.7
70.18456	2.2
76.56412	0.9
79.05511	5.2
81.07047	4.5
83.04980	9.8
91.05491	8.3
93.07058	8.4
95.04962	2.7
95.08599	8.3
97.02863	1.7
105.07033	10.5
107.08591	5.8
109.06526	3.0
109.10110	1.2
111.04478	5.7
111.08076	4.1
117.07024	4.9
119.08596	8.2
121.06517	3.8
121.10135	3.2
123.08067	4.6
127.72981	1.0
129.07011	4.1
131.08588	6.2
133.06488	1.4
133.10126	4.5
135.08054	2.6
139.07494	1.7
141.07027	1.8
142.07771	2.7
143.08600	5.4
145.06499	2.2
145.10098	5.6
147.08064	4.5
147.11702	2.8
149.09608	1.3
152.87312	1.2
153.06976	1.3
155.08531	7.4
156.09378	2.1
157.06488	1.3
157.10135	8.6
158.07265	1.6
159.08089	4.1
159.11684	3.9
161.06044	1.4
161.09625	3.9
163.07626	1.6
165.07001	1.9
167.08572	2.5
168.09239	1.3
169.10112	4.1
171.08069	3.3
171.11710	2.2
172.08842	1.1
173.09653	3.6
173.13309	1.1
175.11200	4.2
179.08540	2.6
180.09279	1.5
181.10114	3.0
182.10928	2.2
183.08112	3.0
183.11713	3.6
184.07358	1.5
185.09608	5.6
185.13260	2.3
187.07596	1.7
187.11227	3.4
192.09354	1.1
193.10155	4.2
194.10921	2.1
195.08131	1.6
195.11714	4.0
196.12468	1.4
197.09558	1.7
197.13295	4.0
199.07423	1.2
199.11230	2.9
201.09134	2.5
201.12865	2.1
203.10628	3.2
205.10146	3.1
207.11691	4.6
208.08771	1.5
209.09634	2.2
209.13293	2.4
210.10417	2.4
211.11179	3.1
211.14819	1.1
213.09123	1.8
213.12814	2.4
217.10236	2.4
217.12250	1.3
219.11646	3.4
221.13289	2.4
223.11153	4.6
223.14801	1.1
225.12729	8.5
227.10689	1.2
227.14473	1.6
229.12198	1.4
231.11687	1.8
232.12418	1.3
233.13220	1.6
235.11046	1.8
235.14807	2.8
237.12782	3.4
239.10767	1.7
239.16661	1.5
241.12323	4.0
243.13860	4.0
245.13257	2.4
247.11159	1.4
247.14853	2.3
248.12019	1.5
249.12741	2.2
249.16469	1.7
251.10706	1.4
253.12224	3.6
259.10934	1.4
259.15054	1.5
261.12717	2.6
261.16257	1.5
263.14313	2.9
273.12772	1.7
274.13550	1.3
275.14304	3.5
277.15842	2.5
279.17245	1.5
285.16440	2.2
287.14349	1.4
288.15186	1.4
289.15936	3.0
292.98969	1.2
293.15497	2.1
295.17065	1.4
303.17459	2.2
305.15289	3.3
305.18839	1.7
321.18527	1.7
321.66534	1.2
326.28360	1.4
331.17029	2.8
335.20175	2.1
346.19492	1.3
349.18042	1.5
381.21701	1.8
385.21664	1.3
399.23126	5.0
401.24677	1.4
409.21835	2.4
415.22711	3.7
417.24240	7.4
419.25934	1.3
423.21759	2.5
427.22641	10.2
428.23068	1.7
433.23700	6.6
435.25439	3.4
445.23718	34.9
446.23993	2.5
451.24503	2.2
455.25873	1.4
463.24774	44.0
464.25085	3.4
481.25916	8.5
499.24545	9.3
517.25598	100.0
518.26086	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
55.01870	2.1
55.05513	12.6
57.03441	1.1
59.04990	2.7
64.24981	0.7
67.05499	7.3
69.03428	21.8
69.07064	4.8
69.13366	3.1
69.13786	2.0
71.04993	2.6
79.05489	7.0
81.07050	8.0
83.04997	6.2
83.08622	1.7
85.06540	1.4
91.05484	12.4
92.74216	0.8
93.07040	12.4
95.04977	3.5
95.08607	12.2
97.06533	2.5
99.04438	3.7
101.06018	8.6
103.05459	1.3
105.07031	17.3
107.04959	1.5
107.08596	13.0
109.06516	7.0
109.10146	5.4
111.08083	6.8
113.06045	1.1
115.05491	2.2
117.07006	7.2
119.04946	1.9
119.08581	16.2
121.06516	4.7
121.10147	8.1
123.08073	8.7
123.11710	1.6
125.05955	1.0
125.09667	3.2
128.06215	5.1
129.05467	2.3
129.06999	7.9
130.07751	1.2
131.08563	12.2
133.06505	2.7
133.10127	12.6
135.08080	5.8
135.11697	4.8
137.05959	1.0
137.09610	3.5
139.07538	13.6
139.11209	2.4
141.06987	4.4
141.09122	2.2
142.07777	5.7
143.08557	17.6
143.09660	1.1
144.09367	1.7
145.06526	2.3
145.10115	14.3
146.10532	0.9
147.08041	4.8
147.11684	6.7
149.06042	0.9
149.09627	3.7
149.13301	0.8
151.07561	1.5
151.11238	1.3
153.07018	2.0
153.09065	1.2
154.07797	2.3
155.08545	8.7
156.09294	2.2
157.06471	1.4
157.10121	12.8
158.07275	1.3
159.08092	5.9
159.11678	8.1
160.08688	0.9
161.09653	7.9
161.13284	2.9
163.07567	1.1
163.11188	8.1
165.07072	1.7
165.09183	1.3
166.07777	1.6
167.08571	3.1
167.10713	1.9
168.09352	1.9
169.10112	12.5
170.10852	0.9
171.08092	2.7
171.11697	8.3
172.08864	0.8
173.09647	7.2
173.13251	3.4
174.10399	1.7
175.07599	1.3
175.11183	11.4
175.14857	1.0
177.09114	1.4
177.12778	3.0
178.07767	0.9
179.08575	2.4
179.10722	2.3
180.09311	2.1
181.10159	4.6
181.12212	9.9
183.08073	1.1
183.11688	6.1
184.12263	0.8
185.09618	5.0
185.13171	3.8
187.11156	7.1
187.14798	0.9
189.09186	1.7
189.12738	7.3
191.10652	3.0
192.09410	1.6
193.10153	4.0
193.12074	0.7
194.11000	1.1
195.08087	1.0
195.11736	6.2
195.13608	1.2
196.12350	1.1
197.09628	1.9
197.13304	3.3
199.11195	2.7
199.14946	1.9
201.12708	4.2
203.10719	1.9
203.14317	2.0
205.10149	2.4
205.12259	2.3
206.10825	0.9
207.11845	3.9
207.13646	1.3
209.09706	1.9
209.11641	18.2
209.13275	2.5
210.12009	0.8
211.11197	3.0
211.14876	2.2
213.12755	2.8
213.16199	1.1
215.10727	2.4
215.14372	2.0
217.10313	1.0
217.12404	1.2
218.10962	0.8
219.11841	1.2
219.13817	1.5
220.12578	0.9
221.13283	3.1
222.14116	0.9
223.11197	2.0
223.13295	3.7
223.15067	2.0
224.11812	1.0
225.12766	2.6
225.16406	1.6
227.10670	1.1
227.14355	1.4
229.12288	2.4
231.11769	1.0
231.13785	1.8
232.12473	0.8
233.13445	1.5
235.11197	1.1
235.14926	2.1
237.12894	1.3
237.16359	2.9
239.14323	1.5
239.17970	1.2
241.12173	1.4
241.16006	1.0
243.13739	1.0
245.13348	1.1
247.11034	1.1
247.14856	2.8
249.16496	1.6
251.14343	2.2
253.12096	0.8
253.15854	1.4
256.14926	0.9
261.16614	0.9
263.14297	1.5
263.17725	0.8
265.13101	0.7
265.15802	4.5
266.16507	1.4
267.17499	2.2
277.15887	1.8
277.19583	1.3
279.17398	0.8
283.16959	3.2
293.19061	1.0
295.16995	1.4
295.20511	1.8
313.18326	1.1
313.21539	3.5
341.17401	1.3
359.18671	0.7
360.01459	0.8
371.22394	1.7
395.25735	0.9
399.24335	0.8
405.24219	2.5
413.26886	2.5
417.24280	1.6
423.25369	11.3
424.26065	2.1
425.26962	2.1
435.25378	2.6
437.27087	1.3
439.25034	1.4
441.26346	100.0
442.26630	7.7
443.27939	2.0
445.24133	1.2
453.26410	18.5
454.26718	1.4
455.28116	3.5
457.25031	0.8
463.24619	2.1
471.27423	30.7
472.27661	2.3
473.29077	4.4
481.21082	1.2
481.26459	2.1
489.28210	2.6
499.27469	12.8
517.24359	1.0
517.27997	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.05495	4.7
57.03422	1.3
66.28678	1.3
66.65891	1.1
67.05515	5.1
69.03413	2.1
69.07071	1.9
70.18079	1.7
70.18456	2.2
76.56412	0.9
79.05511	5.2
81.07047	4.5
83.04980	9.8
91.05491	8.3
93.07058	8.4
95.04962	2.7
95.08599	8.3
97.02863	1.7
105.07033	10.5
107.08591	5.8
109.06526	3.0
109.10110	1.2
111.04478	5.7
111.08076	4.1
117.07024	4.9
119.08596	8.2
121.06517	3.8
121.10135	3.2
123.08067	4.6
127.72981	1.0
129.07011	4.1
131.08588	6.2
133.06488	1.4
133.10126	4.5
135.08054	2.6
139.07494	1.7
141.07027	1.8
142.07771	2.7
143.08600	5.4
145.06499	2.2
145.10098	5.6
147.08064	4.5
147.11702	2.8
149.09608	1.3
152.87312	1.2
153.06976	1.3
155.08531	7.4
156.09378	2.1
157.06488	1.3
157.10135	8.6
158.07265	1.6
159.08089	4.1
159.11684	3.9
161.06044	1.4
161.09625	3.9
163.07626	1.6
165.07001	1.9
167.08572	2.5
168.09239	1.3
169.10112	4.1
171.08069	3.3
171.11710	2.2
172.08842	1.1
173.09653	3.6
173.13309	1.1
175.11200	4.2
179.08540	2.6
180.09279	1.5
181.10114	3.0
182.10928	2.2
183.08112	3.0
183.11713	3.6
184.07358	1.5
185.09608	5.6
185.13260	2.3
187.07596	1.7
187.11227	3.4
192.09354	1.1
193.10155	4.2
194.10921	2.1
195.08131	1.6
195.11714	4.0
196.12468	1.4
197.09558	1.7
197.13295	4.0
199.07423	1.2
199.11230	2.9
201.09134	2.5
201.12865	2.1
203.10628	3.2
205.10146	3.1
207.11691	4.6
208.08771	1.5
209.09634	2.2
209.13293	2.4
210.10417	2.4
211.11179	3.1
211.14819	1.1
213.09123	1.8
213.12814	2.4
217.10236	2.4
217.12250	1.3
219.11646	3.4
221.13289	2.4
223.11153	4.6
223.14801	1.1
225.12729	8.5
227.10689	1.2
227.14473	1.6
229.12198	1.4
231.11687	1.8
232.12418	1.3
233.13220	1.6
235.11046	1.8
235.14807	2.8
237.12782	3.4
239.10767	1.7
239.16661	1.5
241.12323	4.0
243.13860	4.0
245.13257	2.4
247.11159	1.4
247.14853	2.3
248.12019	1.5
249.12741	2.2
249.16469	1.7
251.10706	1.4
253.12224	3.6
259.10934	1.4
259.15054	1.5
261.12717	2.6
261.16257	1.5
263.14313	2.9
273.12772	1.7
274.13550	1.3
275.14304	3.5
277.15842	2.5
279.17245	1.5
285.16440	2.2
287.14349	1.4
288.15186	1.4
289.15936	3.0
292.98969	1.2
293.15497	2.1
295.17065	1.4
303.17459	2.2
305.15289	3.3
305.18839	1.7
321.18527	1.7
321.66534	1.2
326.28360	1.4
331.17029	2.8
335.20175	2.1
346.19492	1.3
349.18042	1.5
381.21701	1.8
385.21664	1.3
399.23126	5.0
401.24677	1.4
409.21835	2.4
415.22711	3.7
417.24240	7.4
419.25934	1.3
423.21759	2.5
427.22641	10.2
428.23068	1.7
433.23700	6.6
435.25439	3.4
445.23718	34.9
446.23993	2.5
451.24503	2.2
455.25873	1.4
463.24774	44.0
464.25085	3.4
481.25916	8.5
499.24545	9.3
517.25598	100.0
518.26086	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.05502	4.4
60.08168	1.2
67.05508	5.5
69.03424	1.1
69.07057	2.0
71.04997	1.2
71.07397	1.6
71.29406	1.2
79.05502	3.8
81.03423	1.3
81.07063	4.2
83.04993	5.8
85.06504	1.0
86.09705	7.1
87.10049	1.7
91.05487	7.1
93.07040	7.5
95.04964	2.5
95.08598	7.2
97.06541	1.5
97.10149	1.0
98.98465	1.8
105.07026	7.7
107.08603	5.2
109.06510	3.6
109.10166	2.1
111.04456	1.7
111.08087	3.5
113.34326	0.9
115.05450	1.1
117.07050	3.3
117.36407	1.0
119.08591	6.9
121.06532	2.8
121.10143	2.5
123.08110	1.8
125.00008	6.3
128.06236	1.5
129.07036	3.1
131.08597	4.1
133.10156	3.5
135.08028	2.1
137.06032	1.2
139.07570	1.7
142.07758	1.2
143.08571	2.4
145.10091	5.4
147.08037	2.7
147.11702	2.3
149.05959	1.2
149.09657	1.9
152.38419	1.1
155.08595	3.9
157.10066	5.3
159.08090	3.6
159.11749	2.7
161.09669	2.7
161.13358	1.0
168.09242	1.5
169.10144	2.5
170.56404	0.9
171.08064	2.2
171.11761	2.7
173.09653	3.4
173.13258	2.0
175.11258	2.2
177.09129	1.4
179.08621	1.3
181.10213	1.2
183.11813	2.7
184.07344	25.4
185.07710	4.6
185.09541	2.0
185.13246	1.9
192.09537	1.2
193.10127	2.3
194.11008	1.5
195.11722	3.5
197.09819	1.5
197.13306	1.7
199.11226	3.3
201.09103	2.3
203.10759	2.2
207.11725	3.3
209.13268	2.5
213.12874	2.1
221.09888	1.3
221.13242	1.7
223.11209	3.0
225.12819	3.5
227.10670	1.1
233.13278	2.5
235.11238	1.5
237.12610	2.0
241.12386	2.5
247.11241	1.2
247.14876	1.4
255.13893	1.1
256.12744	1.1
259.14899	1.3
263.14380	1.5
277.15869	1.9
295.17010	1.0
303.17538	1.3
305.15094	1.4
331.17014	1.4
333.18646	1.4
387.19589	2.7
399.23334	1.1
405.20477	3.0
417.24408	3.1
423.21573	1.3
427.22830	3.1
435.24857	1.3
445.23737	14.5
446.24408	1.4
455.25711	2.0
463.24777	21.1
464.25186	2.7
481.25418	3.8
499.24460	16.3
500.25165	1.5
517.25635	100.0
518.26038	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.9
55.01850	3.8
55.05508	21.8
57.07066	4.2
59.04995	5.3
67.05501	18.0
68.89609	2.5
69.03438	6.5
69.07063	17.4
70.56528	4.7
71.05012	5.7
74.99693	3.4
77.40968	2.4
79.05486	18.4
81.07061	40.2
83.04971	13.4
83.08625	10.2
85.06553	4.0
91.05487	30.6
93.07040	23.2
95.04965	6.8
95.08605	30.3
97.06554	4.5
97.10180	5.4
99.04459	19.4
101.06024	3.9
102.84959	2.8
105.07027	27.5
107.04982	3.0
107.08582	22.9
109.02892	8.0
109.06499	23.5
109.10166	9.4
111.04438	6.5
111.08099	7.0
111.11617	3.0
117.07015	8.2
119.08568	38.2
121.06510	9.9
121.10152	13.8
123.08085	8.8
123.11726	9.7
125.09587	3.2
127.07564	8.6
128.06223	3.0
129.07004	8.2
131.08572	17.3
133.10124	25.3
135.08087	14.6
135.11676	5.3
137.05981	22.2
137.09688	2.6
139.07587	9.2
142.07791	3.9
143.08546	19.8
144.09326	5.3
145.06424	3.2
145.10106	25.8
147.08028	19.9
147.11726	11.9
149.09663	8.3
149.13403	3.5
155.08549	6.8
156.09325	3.5
157.10103	30.1
159.08090	11.3
159.11696	23.1
161.09607	24.2
161.13281	6.3
163.07579	3.3
167.08577	6.0
169.10153	20.8
171.08125	4.8
171.11649	26.2
173.09666	12.6
173.13260	11.8
175.11215	10.8
177.09105	5.0
177.12737	3.7
181.10092	6.5
182.11005	3.4
183.11685	15.2
185.09621	7.8
185.13263	14.0
187.11191	19.4
187.14816	6.9
189.09105	6.1
189.12776	6.4
193.10306	3.6
193.12198	3.9
194.10988	3.5
195.11702	15.2
196.12524	2.7
197.09531	5.6
197.13322	11.2
199.11183	14.4
199.14815	6.4
200.11949	4.2
201.09158	4.0
201.12775	11.1
203.14249	3.0
205.12263	9.8
207.11632	4.8
209.13272	10.7
211.11169	6.4
211.14857	8.7
212.11975	3.5
213.12769	8.8
213.16348	3.4
215.10689	3.3
215.14302	6.2
217.12250	9.8
219.11909	2.8
219.13980	3.1
221.13248	7.4
223.11163	3.4
223.14743	21.3
225.12715	9.0
225.16377	9.7
226.13521	3.1
227.10609	5.4
227.14380	7.9
227.17815	4.1
229.12291	7.2
231.13728	4.1
233.15419	3.4
235.14772	5.0
237.12700	6.1
237.16415	7.4
239.14288	3.0
241.12323	4.7
241.15775	5.4
243.13766	6.6
243.17404	5.1
244.14549	2.9
245.15381	4.0
251.14404	4.6
251.18074	3.5
253.15942	3.2
253.19453	4.7
255.13768	3.7
255.17458	4.0
257.15433	3.5
263.12949	3.8
265.15894	9.9
265.19684	4.8
267.17419	3.6
269.15472	3.6
271.16849	5.2
283.16876	10.5
283.20358	3.8
297.18311	3.4
301.18060	8.2
307.20712	3.9
308.21179	3.3
311.20053	3.1
325.21652	19.6
326.22345	22.7
327.23056	7.3
339.19571	5.5
343.22504	5.2
349.21606	5.4
367.22769	3.4
371.26166	6.5
381.20538	5.4
403.22290	3.8
403.26877	4.0
421.27625	7.0
427.26526	5.2
435.28934	4.6
439.24500	3.5
445.27451	24.9
463.28424	38.6
464.28424	3.0
481.29465	100.0
482.29941	6.4
499.30585	30.8
500.30762	3.6
517.31573	11.2
517.38922	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3162
Annotation	Ceanothetric acid
Peak:m/z	Relative Intensity
53.03942	2.1
53.55536	1.3
54.01742	1.1
55.01880	1.3
55.05504	4.6
57.90350	1.1
59.13930	1.2
67.05501	6.5
69.03413	1.9
69.07073	3.7
69.56608	6.8
74.47948	1.2
79.05492	2.6
81.07066	9.7
82.60285	1.4
83.04984	3.6
84.88609	1.1
85.06550	1.6
91.05470	4.5
93.07040	10.4
95.04977	2.6
95.08616	15.4
97.06511	1.3
99.04475	1.9
105.07021	9.9
106.82121	1.3
107.08602	5.0
109.02853	1.6
109.06524	4.4
109.10165	3.8
111.04427	2.3
111.08096	3.3
117.07027	4.0
119.08610	9.0
121.06587	2.2
121.10146	4.0
123.08086	4.2
125.12421	1.2
127.07565	1.9
128.06244	1.8
129.06969	2.8
131.08572	7.3
133.10141	9.7
135.08057	3.4
137.05988	3.8
139.07526	2.5
141.09103	1.2
142.07762	2.6
143.08572	8.7
145.10123	8.4
146.07321	1.6
147.08067	4.6
147.11649	2.3
149.09496	1.6
153.06987	1.6
155.08557	6.7
157.10124	11.7
159.08035	2.6
159.11671	6.8
161.09625	5.1
161.13206	1.6
163.11147	1.2
165.06995	1.7
167.08617	3.7
169.10147	9.7
171.11652	6.0
173.09651	1.5
173.13235	1.4
175.11154	1.9
179.08563	3.5
181.10114	7.5
182.10876	2.1
183.11775	6.5
184.12315	1.2
185.09610	2.2
185.13251	3.1
187.11162	3.6
189.12630	1.5
193.10243	6.7
194.10849	3.7
195.11699	10.1
197.09572	2.7
197.13309	6.1
199.11237	3.5
203.10670	1.6
203.43620	1.2
205.10139	3.7
205.12199	2.4
206.10924	3.9
207.11742	13.5
208.12346	3.7
209.13231	9.4
211.11107	1.5
211.14842	2.8
213.12743	2.5
216.09343	1.6
217.10246	1.8
217.12210	2.3
218.11000	1.6
219.11728	3.4
220.08757	1.3
220.12425	1.9
221.13266	12.9
222.13757	1.9
223.11240	2.6
223.14838	9.5
225.12698	1.9
225.16315	2.9
227.10689	1.4
229.12082	2.4
233.13322	2.2
235.11128	2.0
235.14810	6.3
237.16437	1.6
239.14339	2.8
241.12428	1.2
241.15842	1.4
243.13777	1.7
245.13185	1.8
247.14893	2.9
248.15463	1.3
249.12691	3.6
249.16422	4.3
251.14365	4.0
251.17892	1.5
255.13838	2.0
261.16394	3.7
262.17059	1.3
263.14288	4.1
263.17914	4.6
265.15948	2.8
265.19153	1.2
267.13773	3.2
269.15369	6.1
275.18002	1.7
277.15985	2.4
277.19308	1.5
281.15195	2.0
283.17044	2.3
287.17859	2.5
289.19376	1.3
295.16882	2.5
305.18979	6.4
307.20547	1.8
309.18408	1.9
323.20044	6.9
325.21622	3.4
326.22531	1.6
331.20483	2.6
345.20837	2.3
349.21518	1.9
403.26590	6.3
417.28015	2.9
419.29388	2.8
421.27682	2.3
427.26242	3.9
440.25253	3.5
445.27362	28.1
446.27515	3.9
463.28439	100.0
464.28787	13.7
481.29593	11.7
482.29611	2.2
499.30405	2.8
517.25861	3.7
517.38019	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81479	3.4
51.64362	4.1
53.03944	3.6
55.01873	3.9
55.05516	37.1
56.96576	9.3
57.07069	5.6
59.97701	4.2
65.03949	5.4
67.05509	28.6
69.03423	11.4
69.07072	21.3
69.13313	34.2
71.04987	22.5
73.02918	7.6
79.05493	18.5
81.07056	45.6
83.04987	100.0
83.08624	15.8
85.02922	7.4
85.06531	8.5
91.05470	26.7
92.04803	5.0
93.07032	36.8
95.04985	8.4
95.08609	46.4
97.02905	13.3
97.06516	12.0
97.10178	5.5
98.22590	7.3
98.97583	10.6
99.04447	33.6
99.08088	20.0
101.06007	5.3
105.07031	58.5
107.08597	52.2
109.06523	62.8
109.10152	31.9
111.08076	23.5
113.09642	4.7
117.05483	6.0
117.07028	16.3
119.08573	56.5
121.06490	8.0
121.10152	36.7
123.08066	14.4
123.11692	12.6
125.09660	5.2
127.03928	32.1
127.07568	49.0
128.06177	4.1
129.07018	11.7
129.09134	13.3
131.08577	31.6
133.06488	8.0
133.10115	30.4
135.08090	4.2
135.11688	11.2
137.05994	6.0
137.09610	5.7
137.13196	5.7
141.07037	5.3
141.09106	7.6
142.07790	16.5
143.03188	3.7
143.08601	27.5
145.10118	40.9
147.08052	10.1
147.11713	24.8
149.09587	6.7
151.11169	7.4
153.07028	5.9
155.07076	11.0
155.08560	23.2
156.09344	14.4
157.10132	53.4
159.08118	8.5
159.11693	46.9
161.09637	10.2
161.13268	17.4
163.11238	7.5
167.08452	5.6
167.10699	5.1
168.09431	4.3
169.10121	42.3
170.10757	7.7
171.11668	42.2
173.08125	50.2
173.09618	12.8
173.13283	18.3
175.07545	39.5
175.11278	5.3
175.14816	5.5
177.09171	7.7
177.12762	5.5
179.08670	7.0
179.10666	11.3
181.10135	15.0
182.10921	5.9
183.11658	40.3
184.12212	4.7
185.09660	8.3
185.13264	25.4
187.11241	7.8
187.14845	8.6
189.12706	7.1
191.10663	23.3
193.10213	5.9
195.11714	19.6
196.12505	3.7
197.09622	7.1
197.11684	6.2
197.13266	26.6
199.09616	4.8
199.11243	14.1
199.14815	11.2
201.12753	6.4
205.12177	7.8
207.11731	9.9
208.12518	4.4
209.09747	7.4
209.13264	25.3
211.11200	16.0
211.14828	29.4
213.07996	4.0
213.12733	9.0
213.16357	10.6
215.10664	5.3
215.14316	7.8
215.17867	4.8
217.12306	9.3
219.11842	5.1
219.13800	15.7
221.13313	13.6
222.13968	6.1
222.34740	4.5
223.11362	4.9
223.14886	21.0
225.12787	8.5
225.16370	18.1
227.14426	7.2
227.18045	4.7
229.12245	14.5
231.13898	8.1
233.15356	7.0
235.14787	7.5
237.12766	4.8
237.16455	4.9
239.14426	5.5
239.17937	3.6
241.12350	5.2
241.15825	5.4
243.12073	10.7
243.17505	5.9
245.15479	8.5
249.16319	4.1
251.14458	9.5
253.15887	8.2
253.19716	5.5
257.15366	8.9
259.17010	6.9
261.18698	8.6
263.14236	4.5
265.15948	7.3
267.17502	5.4
269.15399	13.8
271.16937	41.4
273.18530	7.4
279.17474	5.1
283.17056	9.0
285.18518	13.7
287.20099	9.1
295.15915	4.8
295.20624	10.3
297.18463	8.9
299.20166	6.0
305.19104	5.8
307.20535	6.7
309.22025	11.8
313.21603	5.0
317.08429	5.6
325.21741	25.3
327.23206	71.0
328.23477	6.7
337.16910	17.1
355.26410	40.4
365.24753	4.6
375.23126	4.7
377.24966	3.6
395.26114	3.9
417.27890	8.8
419.29819	4.6
435.28943	18.1
437.30420	6.8
445.27466	7.0
453.30014	25.5
455.31790	4.0
457.20825	4.9
457.29800	5.6
463.28192	9.1
471.31595	5.1
481.29468	42.5
499.30713	79.0
500.30856	11.9
517.16217	8.4
517.22754	16.3
517.32227	55.7
518.31866	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3886
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03951	3.8
55.01873	1.3
55.05515	18.2
57.03440	7.4
57.07064	1.8
65.03920	2.0
67.05505	43.1
69.07072	19.6
69.63675	4.7
71.04982	2.4
77.03967	0.7
77.50735	0.6
79.05493	33.5
81.07059	47.7
83.04996	2.7
83.08620	10.5
85.06537	2.2
91.05479	27.1
93.07047	40.1
94.81092	0.7
95.04964	3.2
95.08606	39.5
97.06530	4.6
97.10159	4.5
98.22519	0.7
98.23129	2.2
99.08103	1.4
105.07033	33.0
106.03629	0.7
107.04956	1.2
107.08597	29.0
109.06535	2.1
109.10155	18.2
111.08073	2.6
115.05459	1.0
117.07021	12.3
119.08582	34.9
121.06526	1.1
121.10143	20.8
123.08074	1.8
123.11713	5.4
125.09544	1.0
128.06229	1.5
129.06990	5.4
130.07762	1.3
131.08568	23.7
133.10130	21.7
135.08037	1.3
135.08978	0.7
135.11697	10.9
137.09605	1.5
137.13281	1.5
138.16225	0.9
139.11191	1.5
141.07001	1.3
142.07867	1.5
143.08574	7.4
144.09254	0.8
145.10123	23.5
146.10480	0.8
147.10600	1.5
147.11691	19.2
149.09631	2.2
149.13246	9.0
155.08624	3.7
156.09116	0.7
157.10124	7.7
159.11705	16.7
160.12141	1.0
161.13268	10.7
161.63435	0.7
163.11221	1.2
163.14848	3.6
169.10161	3.2
171.11676	7.9
173.13246	10.6
175.14828	5.7
177.12730	1.2
177.16406	2.0
181.10086	0.9
183.11751	3.0
185.13251	5.2
187.14838	7.6
189.16425	2.1
197.13283	2.3
199.13290	0.9
199.14841	4.2
201.16348	3.8
203.18060	0.8
205.15932	1.4
210.27213	1.0
211.14870	2.4
213.14690	1.1
213.16458	3.1
215.17984	1.0
217.15842	0.8
219.17409	1.8
221.15538	0.9
225.16353	1.3
227.18086	1.4
231.17453	1.0
241.17651	4.4
242.34680	0.8
249.18561	0.9
253.19775	1.1
257.18961	1.7
259.20560	4.6
260.20596	0.9
261.18530	1.1
271.20618	1.1
273.22125	1.8
279.19458	0.9
285.21994	1.9
287.23743	1.6
293.20987	1.2
299.23746	3.2
300.12598	0.8
301.25314	1.7
303.23004	1.2
305.24622	1.6
313.25333	2.6
315.23218	1.4
317.24768	1.5
325.48828	0.8
327.26907	2.2
329.24994	1.2
331.26303	1.4
333.24387	1.1
343.26486	1.5
347.25662	0.9
355.26016	1.0
369.27335	1.1
393.30347	0.9
405.30377	1.3
407.27914	1.4
407.32791	5.8
419.32001	1.4
425.34146	15.7
426.34683	1.6
443.35260	7.0
444.34927	0.9
459.34164	1.0
461.36383	1.8
481.36810	1.2
499.37820	22.6
500.38110	2.6
517.38898	100.0
518.39215	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.1
54.54490	4.0
55.01871	13.5
55.05513	58.3
57.07071	10.1
57.83080	4.2
59.05008	6.0
60.63680	3.7
67.05503	55.4
68.99117	29.9
68.99526	12.2
69.03435	26.6
69.07069	53.9
71.04975	11.4
73.06551	11.9
79.05499	45.1
81.03416	15.6
81.07058	94.5
81.68977	4.7
83.04987	11.4
83.08613	44.4
85.06551	14.4
91.05480	37.6
93.07037	70.0
95.04967	14.1
95.08607	100.0
96.55561	4.2
97.06533	14.1
97.10162	20.8
99.04443	5.2
99.08101	14.1
101.06024	8.3
105.07025	63.9
107.08595	94.2
108.08958	5.1
109.06518	18.3
109.10161	73.4
111.08086	35.2
115.07568	22.0
117.07036	7.6
119.08577	84.4
121.06475	7.2
121.10144	86.0
123.08072	14.4
123.11698	52.7
125.09634	44.8
127.07539	4.6
129.06978	9.7
129.09196	6.8
130.74583	4.1
131.08554	27.2
133.10133	74.9
135.08098	8.3
135.11699	38.4
137.09653	10.6
137.13266	14.8
139.07530	6.9
139.11206	11.9
141.06918	6.1
142.07825	5.8
143.08569	20.1
145.10139	30.4
147.08070	12.9
147.11676	41.7
149.09612	11.6
149.13248	25.5
151.07623	6.8
151.11136	7.4
157.10120	34.8
157.12250	7.8
159.08093	4.9
159.11705	33.9
161.09634	20.6
161.13264	49.1
163.11197	9.6
163.14839	6.7
165.12766	5.3
169.10156	12.6
171.11693	23.7
173.09569	5.5
173.13232	33.6
175.11220	38.7
175.14821	18.9
177.12808	8.6
179.14305	56.1
181.10172	9.2
181.12357	5.7
183.11703	15.9
185.09596	5.4
185.13268	14.7
187.11266	9.3
187.14824	18.2
189.16351	14.6
193.10349	4.8
193.12222	12.3
195.11748	9.1
195.13748	6.7
197.13335	13.4
197.15343	6.5
199.11244	8.1
199.14743	26.2
201.12755	9.0
207.17479	12.1
209.13329	10.1
209.15291	8.1
211.14793	11.6
213.12814	10.8
213.16396	5.4
217.15855	14.7
223.14835	9.4
225.12866	6.6
225.16342	7.9
227.14313	9.5
227.17986	6.5
233.15317	8.0
235.16905	11.5
239.14200	5.1
241.19452	6.2
245.15274	4.9
245.19016	7.1
249.18408	24.0
255.21103	5.6
259.16965	6.3
259.87991	4.7
263.25528	6.3
265.16119	5.1
265.19406	6.9
269.18961	6.6
283.17029	9.5
283.20605	16.9
289.15894	5.0
315.23199	24.2
325.21548	18.5
333.24268	7.6
343.22675	6.4
407.29276	5.9
425.30139	7.4
431.33090	7.5
441.64209	4.8
449.34073	15.8
463.28610	6.0
467.35062	18.5
481.29468	6.8
481.36572	10.8
499.37640	26.4
517.38586	28.1
517.47388	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.0
55.01874	18.3
55.05507	60.4
56.21012	5.8
57.07075	19.3
59.04992	8.7
61.89269	6.1
67.05505	81.7
69.03424	15.9
69.07074	66.1
71.08611	10.9
71.29755	5.6
71.45560	7.6
79.05492	53.9
81.03423	15.4
81.07059	100.0
83.04983	21.0
83.08603	48.5
85.06549	12.0
91.05493	58.4
93.07049	72.2
95.04979	19.3
95.08615	85.3
97.06540	8.5
97.10178	22.6
99.08079	7.8
105.07041	65.6
107.04955	7.4
107.08572	61.4
109.06507	16.4
109.10166	45.1
111.08099	16.2
115.07554	11.1
117.07029	9.0
119.08574	59.1
121.06516	16.0
121.10140	47.5
123.08067	21.5
123.11671	31.3
125.09631	14.3
129.07011	10.2
131.08588	19.4
133.10170	46.9
135.11679	20.4
137.13313	6.5
139.07538	7.5
141.09099	6.4
143.08582	15.7
145.10115	22.3
147.08080	9.2
147.11694	31.2
149.13249	11.4
157.10184	21.8
159.11702	28.0
161.09636	23.1
161.13246	33.3
163.11122	7.9
169.10144	11.2
171.11711	17.3
173.09630	10.6
173.13307	14.4
175.11206	18.6
175.14815	8.8
177.12875	6.5
179.14342	19.0
183.11786	8.2
185.13297	9.8
187.11252	16.4
187.14789	11.4
199.11264	12.2
199.14886	14.9
201.12811	6.5
207.17331	7.4
209.13339	6.6
211.14795	9.1
213.16425	8.2
217.15839	12.3
223.14915	12.3
237.22060	12.8
249.18410	10.3
283.20517	9.1
325.21579	11.8
326.22400	8.4
403.42590	7.5
435.66696	8.0
446.81747	6.9
463.28372	8.9
481.29660	35.6
481.36002	9.3
499.30939	9.8
517.38763	68.0
528.90143	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.0
55.01872	8.4
55.05503	1.6
55.80968	0.9
56.17995	0.9
57.03434	14.0
59.05009	1.1
61.02927	9.4
67.05501	2.4
69.03078	1.7
69.03429	22.3
69.07069	1.5
71.01353	3.5
71.04995	2.9
73.02917	21.5
77.03936	1.6
79.05063	1.9
79.05494	25.9
79.05960	1.2
81.03416	5.5
81.07055	3.8
83.04984	1.2
85.02902	70.2
85.06544	30.9
86.03235	1.2
86.06888	1.0
87.04470	3.5
91.03956	3.8
91.05468	2.0
93.07059	1.8
95.04953	3.1
95.08620	1.8
97.02887	31.4
97.06539	1.2
98.22620	1.8
99.04459	2.9
103.03955	2.6
105.03387	30.3
105.07040	2.4
105.88132	0.9
107.08549	1.3
109.02895	5.4
109.06519	2.8
115.03940	12.7
117.07087	1.1
119.08592	1.6
121.06550	1.5
123.04428	100.0
123.08070	1.9
124.04790	3.6
127.03913	19.1
132.06584	2.0
133.04967	16.8
135.08066	2.0
137.05960	1.8
143.08551	1.1
145.04956	39.5
147.08011	1.3
149.09579	1.4
150.07623	2.0
151.07550	2.3
161.09708	1.1
163.06012	17.7
163.07355	1.7
189.09099	8.9
193.08685	1.1
199.09718	2.6
223.05948	1.6
229.10754	3.2
241.07028	2.2
284.48636	1.0
285.09671	2.4
398.67017	0.9
432.52158	1.0
482.22589	2.0
500.23340	2.9
518.24872	1.8
541.23279	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	3.5
53.03946	11.7
54.32325	3.4
57.03513	3.0
57.92038	3.3
58.76247	3.3
60.74684	3.3
61.30430	3.5
81.07045	3.9
83.04990	5.7
84.56425	3.0
95.04974	12.8
98.22550	5.7
101.90197	3.4
103.05489	8.9
105.03400	100.0
105.04496	5.8
117.80240	3.6
131.04964	25.1
132.05284	9.7
196.48441	4.5
218.21135	2.9
224.08261	3.2
251.03505	6.8
251.06949	4.3
267.06522	4.0
269.08231	4.3
280.07278	3.6
295.09711	5.3
297.07654	31.1
329.10120	6.8
341.10321	5.2
357.13440	9.5
371.14920	15.2
383.14981	9.2
401.15784	18.9
474.27026	4.8
500.24619	4.5
501.26099	7.6
518.26208	27.1
519.27191	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64170	3.9
53.03943	8.1
55.05512	13.9
67.07632	4.5
78.01752	4.7
83.04988	6.2
91.05480	10.2
93.07024	5.0
95.04985	5.9
95.08611	11.7
103.05450	42.8
104.05811	17.1
105.07029	10.8
105.37922	4.7
107.08587	5.8
109.06503	5.0
131.04929	100.0
131.05913	6.5
132.05275	39.4
133.11678	4.1
142.07826	4.3
145.10170	4.1
153.05475	4.7
159.11725	6.8
167.07056	7.5
181.08655	7.9
209.06116	4.6
223.07515	6.3
224.08177	4.7
235.07419	5.9
239.10760	5.6
240.07732	5.2
241.08879	5.2
251.07019	9.2
252.07637	12.4
253.08621	6.9
263.07016	4.9
265.08585	7.7
267.06577	4.9
267.10220	15.1
268.10666	4.3
269.08374	6.6
279.06506	6.4
279.09833	4.1
281.07977	7.2
282.08902	4.3
283.05908	8.4
285.07559	10.3
293.08099	5.2
293.11609	6.1
295.09662	24.3
296.10156	17.3
297.07605	9.2
297.11176	8.0
299.09152	10.3
307.09732	8.0
308.10382	5.2
310.08484	4.3
314.11633	10.1
315.08359	6.1
321.11136	5.1
325.10712	9.1
328.09360	5.8
329.10202	25.8
351.12134	9.4
353.13718	13.6
357.13443	27.0
359.11224	12.6
368.12531	9.6
369.13507	8.0
371.14987	40.9
383.14984	41.9
398.11194	8.8
401.15918	58.8
415.11099	6.4
430.13486	11.8
431.14404	6.6
449.15469	11.1
454.17221	6.1
462.16162	9.4
486.19846	15.5
487.20505	16.8
518.22400	98.2
518.34546	5.5
519.27887	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01015	5.3
69.37490	19.9
69.37917	20.0
105.03412	43.5
140.54906	5.8
160.87659	6.9
196.35757	5.8
239.07147	10.6
267.10303	25.1
281.08121	5.5
295.09705	21.2
297.07727	8.2
297.11081	11.1
299.09271	15.2
325.10672	20.9
327.12265	14.2
328.09335	13.3
329.06256	6.4
329.10104	7.6
342.11234	8.7
351.12277	12.6
357.13318	40.1
359.11276	22.8
366.14539	11.3
371.14835	9.3
401.15967	100.0
422.20685	7.3
519.27173	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.6
57.03430	19.3
61.02920	12.6
62.34074	4.4
67.05489	3.7
69.03429	42.1
71.01358	6.9
71.29122	5.1
73.02916	52.2
80.42724	3.5
81.03401	6.6
84.04493	6.7
85.02906	100.0
87.04486	8.5
87.96531	4.0
90.34506	3.5
91.03945	5.1
91.05457	4.3
94.61073	3.9
95.04955	5.3
97.02891	59.8
99.00820	6.1
99.04457	4.8
100.56199	4.0
103.03973	5.0
105.07020	32.1
109.02886	7.7
111.04427	5.3
115.03918	38.4
117.78342	3.6
119.04945	9.4
122.09661	15.6
123.04475	4.8
127.03929	36.5
133.04956	51.4
135.04442	4.2
139.03857	4.9
145.04955	65.5
147.04428	37.2
160.11218	10.4
163.05984	30.1
178.12244	12.7
205.07054	4.7
211.06006	7.3
224.12836	28.1
229.07109	6.8
231.02364	4.3
237.13353	10.7
241.07072	6.7
246.94853	5.9
247.08144	5.3
259.08203	9.5
265.09134	11.1
292.86575	4.0
295.10242	7.1
297.18027	3.8
386.18118	4.3
486.12347	4.6
518.19269	6.2
519.19940	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.7
56.05036	0.8
58.06600	0.5
59.09786	0.3
60.07883	0.4
60.08163	5.7
60.81937	0.3
61.11129	0.3
67.05507	0.6
67.33137	0.3
69.04979	1.5
69.05405	1.4
71.07376	3.3
81.07053	0.4
83.04982	6.3
86.09703	31.1
95.08571	0.3
98.98463	3.8
104.10737	3.5
125.00002	23.7
127.57525	0.3
184.07335	100.0
185.07687	1.5
401.19516	1.1
423.94055	0.5
483.23700	0.9
500.31403	0.8
518.32294	1.3
519.27130	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.05513	78.5
57.07067	5.5
59.86893	1.6
65.94262	1.3
67.05505	2.8
70.94251	1.7
70.94610	1.6
71.07392	2.6
71.08634	2.3
81.07062	2.6
83.04983	94.9
86.09702	7.3
91.05460	1.6
93.07039	3.6
95.08597	6.6
104.10717	1.3
105.03407	3.2
105.07028	1.8
107.08557	3.3
109.10113	2.4
119.08585	3.1
121.10150	2.6
131.08504	2.0
133.10156	4.2
135.11693	1.6
139.07501	1.8
145.10068	2.3
146.98180	11.7
147.11674	2.5
159.11673	2.1
161.09621	2.1
191.10696	1.7
219.10286	2.5
231.13539	1.6
279.10019	1.6
295.13251	1.9
311.12610	1.8
313.27271	2.3
316.13089	2.5
320.22937	1.5
323.12683	7.3
338.15045	12.5
339.12268	3.5
354.14517	1.6
355.15863	1.7
369.17294	2.2
375.88324	1.4
386.16904	1.6
401.19589	100.0
402.19794	4.1
433.30890	4.2
441.22632	4.6
451.31964	5.3
459.24893	12.7
469.32675	2.9
483.23718	6.4
518.25525	3.5
518.32245	5.2
519.26459	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00264	0.2
55.05511	0.7
56.05046	1.0
57.03429	0.8
57.07076	5.2
58.06588	0.9
60.08165	5.2
67.05502	0.7
67.40868	0.2
69.07057	0.7
69.07732	1.1
69.08133	0.4
70.06572	0.3
71.06980	0.3
71.07376	4.6
71.08637	3.5
72.77229	0.2
79.05495	0.2
81.07052	1.7
83.08631	1.1
85.10190	1.9
86.09708	20.8
87.10012	0.3
95.08604	2.0
97.10171	0.6
104.10744	100.0
105.03388	2.4
105.11076	1.4
109.10139	1.1
123.11705	0.5
137.13284	0.2
146.98174	10.8
164.99232	0.4
176.99249	0.5
178.31795	0.2
185.57397	0.2
231.00754	0.2
239.23679	0.2
246.95145	0.2
257.24738	0.3
262.03012	0.2
313.27377	5.6
314.27820	0.2
326.11359	0.9
327.11975	0.2
357.13339	0.7
367.11743	0.3
379.12195	0.3
415.22360	0.6
441.24252	0.2
459.24808	51.3
460.25165	2.9
518.25916	1.4
518.32239	16.7
519.25677	1.7
519.32648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.9
56.05032	1.5
57.03417	0.4
58.06587	1.6
59.07375	0.4
60.08163	17.9
66.00293	0.3
67.05505	3.0
69.07069	0.5
69.10389	3.1
69.10734	0.6
71.03061	0.3
71.07372	7.5
78.61055	0.3
79.05488	1.7
80.45702	0.3
81.07050	1.9
86.09704	52.5
87.10035	0.5
89.10403	0.3
91.05477	1.0
93.07017	1.7
95.08611	1.7
98.98462	5.0
104.10741	97.7
105.07024	0.8
105.11095	1.0
106.83891	0.3
107.08592	0.6
109.10121	0.4
119.08562	0.6
121.10165	0.4
125.00002	31.6
135.11679	0.5
163.01555	0.7
184.07339	100.0
185.07715	1.8
191.58203	0.3
258.11038	1.1
281.39478	0.4
335.25723	0.6
441.24530	0.5
500.31360	7.2
501.31552	0.5
518.32428	17.5
519.26416	1.5
519.33002	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
56.05039	0.5
58.06365	0.3
58.06632	0.7
60.08166	6.7
65.82291	0.2
67.05507	0.5
69.06451	0.3
69.06644	0.3
69.07050	1.5
69.07353	0.2
70.06586	0.2
71.07378	3.3
79.05489	0.2
81.07049	0.4
86.09708	30.7
87.10054	0.3
93.07036	0.3
95.08578	0.2
98.98461	3.7
98.99033	0.3
104.10757	2.9
112.17464	0.2
125.00008	22.7
141.47095	0.2
143.01088	0.2
184.07346	100.0
185.07739	1.4
202.43182	0.2
258.11090	0.3
358.84872	0.2
500.31244	0.9
518.32666	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02411	5.4
55.05506	15.7
59.67211	6.6
60.08147	14.0
67.05503	24.9
69.07062	8.5
69.17048	45.4
69.17455	14.1
69.62585	6.3
71.07366	6.7
79.05510	14.2
81.07048	18.1
83.04972	32.8
83.66305	5.5
86.09717	54.7
91.05494	12.6
93.07045	25.4
95.08617	39.2
104.10741	81.1
105.07015	17.6
107.08588	21.3
109.10143	16.8
111.08080	6.1
117.07038	12.9
119.08587	22.5
121.06483	8.9
121.10139	18.3
123.08092	14.5
124.99996	24.2
128.06212	6.9
131.08540	11.2
133.10115	19.4
135.08080	5.7
141.09085	6.4
143.08522	14.6
145.10109	18.9
147.11722	7.8
155.08574	9.8
157.10115	28.5
157.58263	5.6
159.11685	13.4
169.10167	11.1
169.28348	7.7
171.11707	22.8
172.12155	6.9
173.09595	8.2
173.13239	14.5
183.11649	16.0
184.07364	100.0
185.09549	7.9
185.13289	10.7
187.11116	9.4
195.11652	13.4
196.12291	7.5
197.13240	13.1
199.11142	6.4
201.12749	7.1
207.11655	14.3
208.12077	6.8
209.13293	12.2
211.14752	16.0
212.92950	6.1
219.11592	5.6
219.13867	6.2
221.13176	8.1
222.13539	8.1
223.14912	9.9
233.13344	6.8
251.14156	7.4
269.15164	7.7
299.20267	6.5
319.37585	6.6
325.21649	10.4
327.19498	8.6
328.19791	15.6
420.29645	6.5
429.27808	15.2
446.27634	12.4
447.28964	23.9
464.28906	47.0
465.29938	49.4
500.24600	6.8
518.25592	11.8
518.32635	14.9
519.26794	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.5
55.05503	19.0
58.67957	4.2
61.98084	4.9
62.70149	5.3
67.05502	12.3
69.06042	32.4
69.06443	10.8
69.07059	7.7
81.07050	16.4
83.04990	9.1
83.08641	7.6
91.05464	14.8
93.07039	22.9
95.04969	11.3
95.08604	37.0
99.04442	7.3
99.08092	6.2
103.05471	60.0
103.47080	5.3
104.05801	15.0
104.71084	5.0
105.07029	14.9
107.08584	15.4
109.06533	5.4
109.10170	12.3
111.08091	10.4
117.07001	7.3
119.08567	20.3
121.06565	9.2
121.10135	12.1
123.08060	24.9
131.04932	93.8
131.08580	8.7
132.05270	38.8
133.10080	12.3
134.10954	4.5
135.08044	9.2
135.11633	7.6
143.08548	8.2
145.10083	16.1
147.08022	12.4
147.11679	7.4
149.09602	6.1
155.08586	7.8
157.10100	19.0
159.11667	9.9
161.09581	15.4
169.10081	8.8
171.11636	18.7
171.98306	5.4
173.09610	11.6
173.13251	14.0
175.11092	7.2
183.11670	13.4
185.13219	9.4
187.11217	8.6
189.12787	16.2
197.13304	9.9
199.11115	10.7
201.12717	11.3
209.13283	6.0
211.11220	6.0
211.14841	6.9
213.12801	7.7
219.13672	6.4
221.13177	7.0
223.14871	14.8
225.16460	9.9
229.12231	5.5
239.14357	6.6
251.17860	5.9
281.15292	5.4
323.20169	8.8
327.22873	6.1
356.79031	5.3
357.13239	10.2
371.14774	8.8
383.15051	8.3
387.26559	10.1
388.18289	9.3
394.61938	5.1
401.15732	10.6
405.27966	16.5
405.43533	6.7
419.29425	6.8
429.27609	8.5
430.13425	7.3
447.28958	34.5
465.29968	100.0
466.30106	11.9
483.31058	78.2
484.31299	7.0
501.32364	48.4
502.32504	6.9
518.25305	20.5
519.27264	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	14.7
57.48580	5.6
65.76012	4.9
67.05506	19.7
69.07067	12.4
69.64448	8.9
69.64850	25.4
71.07382	5.5
79.05490	19.1
81.07055	20.3
83.04982	14.8
91.05490	14.1
93.07061	33.2
95.08626	54.8
97.06506	8.2
104.94735	5.7
105.07014	27.2
107.08597	24.4
108.01388	5.9
109.10153	15.5
111.08092	11.6
117.06995	12.7
119.08590	37.2
121.10145	15.6
123.08071	11.9
128.06226	8.1
129.07004	15.5
131.08560	19.7
133.10167	25.3
135.11682	9.5
141.07079	6.8
141.09134	7.7
143.08574	30.3
145.06395	9.2
145.10162	30.4
147.08080	10.4
147.11694	22.0
155.08556	22.8
156.09357	9.9
157.10150	34.4
159.08044	7.1
159.11740	29.3
161.09613	9.5
161.13203	6.1
169.10114	24.8
171.11699	30.6
173.09645	12.3
173.13295	11.0
175.11145	7.4
178.39888	5.2
181.10103	13.5
183.11722	26.0
184.07404	9.6
185.09715	8.2
185.13239	19.5
187.14813	8.2
195.11705	13.5
196.12546	7.3
197.13295	17.4
199.11162	9.1
199.14784	9.8
206.01074	5.1
209.09610	6.9
209.13258	24.0
211.11220	8.7
211.14815	11.2
213.16310	9.7
221.13234	8.0
223.14787	12.6
225.12790	10.0
225.16451	11.2
227.10510	7.6
229.12141	6.7
235.14709	8.6
237.16475	5.6
239.14049	5.4
245.15424	7.7
249.16232	7.3
251.14337	9.3
251.18021	7.4
253.15718	7.6
255.14044	7.1
265.16061	8.5
269.15430	13.0
271.17007	8.1
279.17438	7.0
283.16995	6.1
285.18451	13.0
307.20529	7.6
325.21585	10.2
395.29605	10.1
423.28683	20.9
425.26764	26.1
429.27698	12.4
447.28848	31.2
457.27066	8.2
461.22278	7.3
465.30020	100.0
466.30106	9.8
483.30869	6.8
501.26193	43.0
519.27051	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.05518	10.0
55.50663	1.8
56.44867	1.8
57.03443	1.6
67.05503	15.5
69.03439	2.3
69.07059	8.1
71.05000	2.6
79.05498	12.3
81.07059	28.6
82.07441	1.6
83.04995	9.1
83.08627	4.9
91.05476	13.9
93.07058	22.4
95.04975	6.2
95.08607	49.4
97.06513	4.0
99.04430	1.8
105.07032	20.2
107.08596	35.4
109.02892	2.2
109.06530	20.1
109.10165	19.2
109.64210	1.5
111.04457	4.4
111.08087	4.7
113.05997	3.3
117.07034	3.7
119.08585	25.5
119.57838	1.7
121.06523	4.1
121.10153	18.2
123.08064	5.8
123.11715	5.8
125.09633	1.6
129.07016	4.3
131.08562	12.3
133.06528	2.8
133.10132	17.1
135.08069	5.4
135.11702	6.2
137.05969	5.3
137.09584	2.2
139.07553	5.9
142.07828	2.0
143.08574	9.2
145.10121	18.3
147.08073	7.1
147.11670	11.8
149.09650	4.9
149.13251	5.0
153.05478	2.7
155.07048	15.9
155.08469	3.5
156.09392	2.5
157.10152	13.3
159.08090	4.4
159.11726	14.3
161.09596	9.1
161.13264	9.5
163.11171	4.3
163.14870	1.6
167.08589	2.2
169.10129	9.3
170.10822	2.7
171.08098	2.4
171.11700	11.6
173.09621	7.1
173.13289	12.2
175.11189	4.0
175.14859	7.0
177.09111	2.3
177.16464	2.6
179.10722	3.2
181.10278	2.3
183.11684	7.8
184.07370	2.6
185.09639	2.3
185.13217	9.4
187.14815	9.8
189.09167	2.1
189.12759	3.9
189.16415	3.1
193.15790	2.2
195.11682	4.2
197.13289	4.3
199.11238	2.9
199.14888	5.9
201.12759	4.9
201.16464	2.9
203.14323	3.6
205.12273	3.5
207.11780	2.9
209.13319	4.0
211.11105	1.7
211.14926	4.0
213.12758	4.1
213.16328	3.5
215.14296	3.1
219.13858	5.2
221.15327	2.9
223.14893	3.7
223.17250	1.7
227.14331	3.6
227.18015	1.8
229.12187	1.9
231.13885	4.2
233.15395	5.2
237.12617	2.1
237.14810	24.8
239.37515	2.1
241.15921	2.1
243.13699	2.0
245.15393	5.3
247.16899	2.3
251.16425	6.3
256.86292	2.0
263.16467	2.2
265.18158	2.5
271.16989	2.9
275.16675	1.8
283.24234	2.1
285.18497	2.4
325.21631	3.6
327.23343	2.4
343.22708	3.7
345.24249	13.8
347.25922	10.8
369.24347	1.9
393.27643	2.1
405.28021	2.2
409.23438	2.0
419.29504	12.0
429.27954	6.4
435.13748	1.8
437.30490	13.0
447.28967	19.5
448.29745	3.2
455.31622	4.6
456.25919	6.3
457.27237	13.6
465.30023	46.7
466.30365	4.3
474.26837	3.2
483.31021	38.2
484.31476	3.7
496.81119	2.1
501.25885	3.3
501.32266	4.2
518.26227	22.8
518.33789	2.6
519.27209	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15966	16.4
53.23590	17.8
55.05505	85.6
57.07078	37.5
60.81011	21.4
63.34101	20.3
67.05495	59.6
69.07064	77.7
79.05491	54.2
81.03416	28.2
81.07056	74.0
83.08624	79.9
83.71687	17.0
91.05476	31.4
93.07074	92.7
95.04993	31.9
95.08597	100.0
97.10172	37.0
105.07031	49.2
107.08601	57.7
109.10154	46.8
116.98374	16.7
117.07059	20.0
119.08568	51.0
121.10155	58.6
123.08029	30.6
131.08553	36.1
133.10132	41.9
135.11696	31.8
139.81810	19.7
145.10149	68.6
147.11659	40.5
149.19998	21.2
155.64227	18.5
157.10141	32.1
159.11659	49.5
161.13287	32.2
163.11147	22.8
169.10280	28.6
171.11751	31.3
173.09637	20.2
173.13295	31.8
185.13223	23.4
187.11052	18.8
199.14755	21.5
264.68506	20.4
299.06644	32.2
394.41190	18.6
483.35074	96.4
519.36804	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03700	4.4
50.32181	5.4
53.03939	7.7
55.05511	46.7
57.07076	10.9
57.19893	5.1
57.80409	4.6
67.05509	42.2
69.01910	43.1
69.07063	49.4
71.08625	5.3
73.06551	9.6
79.05494	34.4
81.03420	5.3
81.07060	71.3
83.08623	31.2
85.06558	5.0
88.14986	4.3
91.05473	39.1
93.07047	74.1
95.04961	11.0
95.08604	100.0
97.06533	9.3
97.10183	23.0
103.05468	14.0
105.07030	59.0
107.08596	89.0
109.06543	11.6
109.10149	63.4
111.04422	4.3
111.08087	4.8
115.07573	17.0
117.07011	12.9
119.08578	66.7
119.09358	7.2
121.10133	79.5
123.08076	12.6
123.11729	29.7
125.09649	12.5
129.07034	9.1
129.09120	12.8
131.04922	21.9
131.08568	31.5
132.05280	6.6
133.10139	60.3
135.08061	12.8
135.11690	42.3
136.12009	4.0
137.09593	7.5
137.13263	15.4
143.08571	15.8
145.10143	47.9
147.08057	11.0
147.11679	42.1
149.09659	14.9
149.13264	16.8
155.07256	4.8
155.08615	6.7
157.10165	22.0
157.12279	26.6
159.08052	10.4
159.11700	36.9
161.09598	15.3
161.13298	26.2
163.11174	24.2
163.14816	10.1
167.10722	12.5
171.11722	18.1
173.09590	9.1
173.13225	25.3
175.11183	13.0
175.14890	18.5
177.12729	6.8
181.12236	16.5
183.11708	11.3
184.07379	5.5
185.13237	15.4
187.14774	22.8
189.12770	8.9
189.16357	6.9
195.11826	6.8
195.13776	7.7
197.13243	10.3
199.11238	6.5
199.14861	15.0
201.12735	5.1
201.16368	13.1
203.32292	5.0
205.15938	8.0
207.13698	6.1
209.15347	6.9
213.12907	7.5
213.16441	7.0
215.14388	6.7
217.15889	9.4
219.13849	15.8
221.15350	9.4
223.16988	7.6
224.38152	5.0
227.12552	7.6
227.14510	8.0
231.13844	5.5
233.15364	13.6
236.48051	4.7
237.14833	6.0
237.18492	22.6
245.15436	18.5
246.15822	4.8
249.14940	6.1
249.18468	11.5
251.16458	6.6
251.20062	12.4
263.16492	13.1
263.20093	18.5
341.24506	6.8
405.31781	6.2
433.30927	15.2
451.32022	17.5
465.33939	11.1
483.35251	23.4
501.35632	22.1
518.23212	5.8
518.35071	5.9
519.36829	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
55.05514	84.9
57.07078	2.9
60.74179	1.9
67.05499	6.0
69.07064	5.9
69.41551	12.3
71.04991	2.1
72.42895	2.7
79.05490	4.7
81.07059	8.9
83.04985	99.6
83.08633	2.9
86.36449	2.0
91.05474	8.2
93.07050	14.4
95.04985	3.0
95.08605	23.3
97.06546	2.5
98.22626	4.5
105.03406	11.3
105.07033	9.3
107.08598	16.1
109.10167	5.2
117.06972	2.3
119.08598	11.2
121.10154	8.5
123.11725	4.5
129.06993	2.7
131.08586	7.4
133.10130	8.9
134.60980	2.3
135.08110	2.2
135.11627	5.7
139.07584	2.1
143.08543	3.0
144.25688	2.3
145.10112	8.5
146.98105	2.7
147.08153	2.7
147.11702	6.2
149.13277	4.6
157.10115	6.4
159.08115	2.5
159.11682	8.1
161.09738	5.5
161.13248	3.9
163.11128	2.4
171.11732	3.0
173.09567	3.3
173.13278	4.7
175.14796	3.6
181.12317	2.8
183.11694	3.1
184.07339	3.0
185.13324	4.5
187.14822	5.2
191.10680	2.9
201.12761	3.0
211.14629	2.2
217.15823	3.5
219.10072	3.3
221.15375	3.4
229.15889	3.7
231.14008	2.7
233.15292	3.4
235.17023	3.1
249.18491	3.0
261.18631	2.5
278.12790	2.5
282.94122	2.2
323.12735	4.0
338.15112	12.7
339.12225	2.6
347.14941	2.7
354.14694	2.5
401.19589	100.0
402.19864	9.4
411.28558	2.7
433.31052	14.0
441.22952	4.7
451.32178	21.3
459.24747	3.1
469.32983	7.4
474.26752	4.3
483.23730	5.9
501.24078	3.5
518.25934	17.6
519.25342	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.05502	3.6
57.07076	4.3
67.05505	8.9
69.07072	4.1
69.23634	5.7
71.08616	3.7
74.09720	100.0
79.05498	9.4
81.07056	8.9
82.52740	0.9
83.08622	2.5
85.10187	1.1
91.05484	7.2
93.07032	6.8
95.04978	2.3
95.08582	8.2
97.10157	1.1
98.23220	2.8
103.80728	1.0
105.07030	4.2
107.08601	1.9
109.06528	1.2
109.10146	3.8
109.44089	0.8
110.80855	0.8
111.68296	0.8
119.08586	2.4
121.10146	1.6
123.08006	1.4
123.11711	1.1
129.07007	1.3
131.08595	1.2
133.10112	1.2
144.23511	0.9
145.10126	1.2
147.11632	4.2
151.07538	1.6
161.09641	1.1
161.13281	1.1
167.07018	3.8
171.11710	3.7
189.12704	2.0
203.68643	0.9
207.13823	3.8
213.12737	1.0
254.24457	1.1
445.33069	6.1
509.34430	0.8
518.39307	2.1
519.25885	1.0
519.40485	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.7
50.40373	0.3
51.02373	2.2
53.03708	0.6
53.03945	7.4
53.55252	0.4
54.18488	0.4
55.01863	0.7
69.64954	1.7
77.03916	2.7
81.03401	1.0
83.51225	0.4
86.09709	0.8
87.04446	0.8
91.05488	1.8
93.07069	0.9
95.04360	0.5
95.04972	9.0
99.04468	1.4
104.06263	0.9
105.03394	100.0
105.04537	5.3
105.07023	0.9
106.03702	2.1
109.10182	0.4
115.03907	0.9
115.05456	0.9
116.13914	0.4
117.07020	1.4
119.04968	4.6
119.08626	1.0
121.06512	1.5
124.99995	0.5
127.03947	0.8
132.05711	8.9
134.07320	1.0
147.08057	4.1
149.06053	0.9
155.81390	0.4
160.05286	0.6
164.08395	0.6
175.07576	1.7
177.05521	0.9
179.10689	3.5
184.07343	2.1
191.08588	0.5
192.07904	0.6
205.06511	0.8
207.10159	23.4
208.10472	0.7
219.08044	0.9
220.08763	0.5
221.05922	0.4
223.07570	0.4
225.05493	1.0
225.11252	0.9
233.06053	0.9
235.07500	0.7
237.05421	1.0
237.09128	0.6
239.03337	1.5
239.07027	0.9
240.04071	0.5
247.07494	1.4
248.08215	0.5
249.05623	0.6
249.09087	1.0
250.06230	1.5
251.03474	2.5
251.07013	0.7
252.04265	1.0
253.04987	1.1
255.06471	0.6
262.06177	0.7
263.07065	1.5
263.10718	0.5
264.07816	0.8
265.04953	1.4
265.08609	1.7
266.05698	2.8
267.02948	1.1
267.06467	1.5
269.04709	0.5
275.06955	0.7
276.07840	0.6
277.04837	0.5
277.08566	1.2
278.05634	1.0
278.09222	0.8
279.06522	1.9
279.10184	1.1
280.03683	0.8
280.07217	0.8
281.04660	0.8
281.08218	1.2
282.05289	1.0
283.06216	0.8
283.09329	0.5
291.06458	1.5
291.09940	0.4
292.07138	0.8
293.04794	0.7
293.08066	2.9
294.05258	0.9
294.08713	1.0
295.05994	1.4
295.09644	1.3
297.04279	0.6
297.07565	12.0
298.04651	1.1
298.07874	0.5
303.06744	0.6
305.08075	1.8
306.08868	0.9
307.06046	1.3
307.09506	1.0
308.06836	0.7
308.10379	0.7
309.07581	2.0
309.11212	1.8
311.05475	3.0
311.08881	0.6
313.07065	2.5
320.06708	0.6
321.07547	1.4
321.11038	0.7
322.08331	1.7
323.09116	5.2
324.09811	0.8
325.07031	3.0
325.10489	0.7
326.04346	0.5
326.07852	4.9
327.08405	0.8
331.05875	0.5
333.07544	2.4
335.05408	0.6
335.09158	1.4
336.09903	0.6
337.06924	1.5
337.10739	3.7
338.11304	0.8
339.08585	1.8
339.12436	1.2
340.09338	3.2
341.10159	1.2
347.09091	0.6
348.09833	3.4
349.06915	1.5
349.10678	1.5
350.07846	1.3
352.09296	0.7
353.10181	1.1
354.10681	0.6
355.11649	1.8
364.09280	1.2
365.10211	2.8
366.10931	2.4
367.07858	0.6
367.11810	3.8
369.13361	4.1
379.11749	5.8
380.11890	0.6
382.10526	3.6
397.12823	12.4
398.13043	0.7
419.11462	0.8
431.29025	0.5
432.12109	1.9
447.10526	0.5
462.12900	1.3
469.27649	0.5
489.15295	0.6
501.15149	1.0
519.16479	1.7
519.27100	0.5
532.51416	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.9
51.02380	1.5
53.03717	0.4
53.03949	7.5
55.01859	0.8
55.05500	0.4
59.05000	0.4
60.08155	1.1
69.76380	1.2
69.76805	0.5
71.07373	0.7
75.04494	0.4
77.03918	2.4
79.01861	0.3
81.03410	0.6
86.09209	0.5
86.09710	6.7
87.04479	0.9
91.05478	2.3
93.07034	0.9
95.04362	0.5
95.04974	10.3
98.98441	0.4
99.04443	1.8
103.05426	0.5
104.06237	1.7
104.10755	0.5
105.03392	100.0
105.04536	4.4
106.03734	2.2
109.06520	0.6
115.03923	1.1
115.05460	1.1
117.07029	1.2
119.04942	4.3
119.05826	0.5
119.08594	1.5
121.06497	1.4
125.00002	4.2
127.03948	0.6
132.05714	9.7
133.06511	0.4
134.07256	0.4
143.04967	0.3
147.08035	4.4
149.05975	0.8
152.06270	0.3
155.35175	0.3
160.05205	0.9
164.08380	0.4
165.06972	0.4
175.07520	2.0
177.05484	0.8
178.07776	0.5
179.10687	3.5
184.07341	19.1
185.36099	0.3
191.08722	0.4
192.07791	0.7
192.95708	0.3
195.08083	0.4
197.05984	0.4
205.06416	0.7
207.10164	22.5
208.10524	0.8
209.05960	0.4
212.04851	0.3
213.05547	0.4
219.08096	0.9
221.06139	0.6
221.09856	0.5
222.06796	0.7
223.07626	0.5
224.04724	0.5
225.05510	0.6
225.11192	1.0
226.06276	0.4
232.08678	0.3
233.06020	0.8
234.06636	0.4
234.52679	0.3
235.07617	1.3
236.04625	0.4
236.08301	0.4
237.05542	1.0
237.09019	0.7
239.03334	1.7
239.07202	0.7
240.04236	0.6
241.05090	0.4
247.07515	0.6
248.08334	0.5
249.05594	0.7
249.09081	0.6
250.06169	1.5
251.03355	2.8
251.07071	1.2
251.10738	0.6
252.04065	1.5
253.05090	0.9
253.08623	0.6
254.05739	0.7
255.06549	0.5
261.05533	0.4
262.06213	0.4
263.06943	1.9
264.04437	0.4
264.07828	1.1
265.04993	1.4
265.08597	1.8
266.05820	2.8
266.09045	0.5
267.02939	1.4
267.06537	1.1
267.09885	0.4
268.03543	0.4
268.07404	0.4
269.04465	0.8
275.07114	0.7
276.07770	0.7
277.05630	0.3
277.08591	1.6
278.05661	0.7
278.09061	0.4
279.06570	2.2
279.09958	0.6
280.04001	0.4
280.07254	0.8
281.04413	0.5
281.08176	0.7
282.05289	1.7
282.08600	0.4
283.05920	0.6
289.05258	0.4
289.08548	0.5
291.06604	1.9
292.07376	1.0
293.04669	0.7
293.08136	2.3
294.05322	1.6
294.08862	1.0
295.06000	1.0
295.09729	1.0
296.06970	0.5
296.10437	0.4
297.04163	0.8
297.07550	12.6
298.04782	0.6
298.08032	0.9
304.07349	0.3
305.07938	1.7
306.08792	1.0
307.06113	1.7
307.09732	1.2
308.06812	1.3
309.07666	1.8
309.11292	0.9
310.04904	0.5
310.08371	0.8
311.05453	3.3
311.08969	0.4
311.12872	0.5
313.07169	2.0
313.10336	0.4
318.05371	0.5
319.06165	0.5
319.09659	0.8
320.06970	0.4
321.07675	1.5
321.11063	0.6
322.08453	1.5
323.05759	0.4
323.09125	6.3
324.06305	0.5
324.09821	0.8
325.07159	4.0
325.10663	0.7
326.04166	0.7
326.07797	4.8
327.08807	0.4
332.06836	0.4
333.07629	2.0
334.08249	0.5
335.09204	1.0
336.10165	0.7
337.07016	1.4
337.10831	3.2
338.11374	0.6
339.08658	1.6
339.12308	0.8
340.09412	3.1
341.06665	0.4
341.10229	1.5
347.09219	0.8
348.09933	3.2
349.07059	1.4
349.10782	2.5
349.17682	0.4
350.07800	1.7
351.08701	0.7
352.09515	1.2
353.10248	1.3
354.11090	0.7
355.11697	1.7
364.09418	1.9
365.10199	2.8
366.10953	3.1
367.07721	0.3
367.11795	3.9
369.13303	3.9
379.11829	6.4
380.12106	0.3
382.10526	3.7
397.12790	12.4
398.13190	1.3
419.11176	0.7
432.12097	2.5
439.26187	0.9
447.10797	0.5
457.13217	0.4
457.27106	1.6
462.12967	1.1
471.14297	0.3
475.28232	0.5
501.15756	1.3
501.26086	1.8
502.26584	0.5
519.16620	1.0
519.27203	20.4
520.27472	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.7
51.02380	1.7
53.03947	6.6
54.19441	0.2
55.01868	0.7
57.03433	0.2
59.04990	0.4
60.08171	0.2
63.42289	0.2
65.03916	0.3
67.05495	0.4
77.03925	1.9
81.03404	0.9
86.09687	0.3
87.04478	1.1
91.05465	2.0
93.07051	0.7
95.04968	9.4
98.85196	0.3
99.04455	2.4
103.05488	0.3
104.06272	1.2
104.10735	1.0
105.03391	100.0
105.04531	5.3
105.07024	0.7
106.03722	1.8
107.04976	0.3
107.08592	0.3
109.06537	0.3
115.03923	1.1
115.05469	1.0
116.06218	0.3
117.07010	1.2
119.04951	4.1
119.05882	0.3
119.08559	1.6
121.06516	1.3
121.10182	0.3
125.00038	0.3
125.83363	0.2
127.03923	0.7
132.04704	0.5
132.05708	8.8
133.06519	0.5
134.07268	0.6
135.08028	0.2
143.04886	0.3
145.06544	0.3
147.08055	3.9
148.08809	0.3
149.05994	0.9
149.09636	0.3
152.06165	0.3
160.05258	0.5
161.05930	0.4
164.08310	0.5
165.06982	0.4
165.32091	0.3
175.07521	1.8
176.08299	0.4
177.05484	0.8
178.07809	0.3
179.10661	2.7
184.07344	1.1
189.07144	0.3
190.07808	0.5
191.08578	0.4
192.07840	0.6
193.06554	0.4
194.07298	0.4
195.08133	0.3
196.05244	0.3
205.06418	0.5
207.10161	21.4
208.08727	0.3
208.10524	0.7
209.05977	0.3
210.06784	0.3
211.03928	0.4
211.07614	0.5
212.04674	0.6
213.05373	0.4
215.03363	0.3
219.08049	0.7
220.08829	0.2
221.05954	0.6
222.06709	0.6
223.03966	0.7
223.07611	0.6
224.04753	0.3
224.08182	0.3
225.05489	0.5
225.09171	0.4
225.11171	0.6
226.06218	0.3
233.06129	0.5
233.09749	0.4
234.06671	0.5
235.07556	0.9
236.08244	0.5
237.05492	1.3
237.09106	0.9
238.06223	0.8
239.03416	1.7
239.07068	0.6
240.04118	0.7
241.04866	0.5
247.07559	1.0
248.08209	0.7
249.05478	0.7
249.09184	0.6
250.06218	1.3
250.09879	0.4
251.03456	2.5
251.07021	1.5
251.10759	0.5
252.04143	1.1
252.07837	0.4
253.04993	1.0
253.08504	0.5
254.05693	0.5
255.02818	0.6
255.06583	0.7
261.05521	0.3
262.06491	0.3
263.07074	1.9
264.04623	0.3
264.07809	1.3
265.05081	2.1
265.08484	2.2
266.05737	2.6
266.09213	0.7
267.02945	1.1
267.06516	1.8
267.10294	0.5
268.07343	0.3
269.04465	0.9
269.08078	0.7
270.05261	0.5
275.07010	0.9
276.07748	0.6
277.05139	0.5
277.08609	1.4
278.05774	0.8
278.09344	1.0
279.06506	3.0
279.10110	1.4
280.03714	0.6
280.07242	1.1
280.10638	0.4
281.04501	1.1
281.08090	1.6
281.11288	0.4
282.05219	1.7
282.08340	0.4
283.05933	0.8
289.08566	0.5
290.05875	0.6
290.09027	0.2
291.06549	2.1
291.09872	0.5
292.07288	1.0
293.04489	1.0
293.08051	3.9
293.11230	0.5
294.05219	1.4
294.08865	1.2
295.05936	1.6
295.09628	1.3
296.03488	0.4
296.06833	0.7
296.10315	0.4
297.04343	0.4
297.07568	11.4
298.04556	0.7
298.08066	0.7
299.06073	0.5
299.09103	0.5
303.06500	0.5
304.07330	0.5
305.08084	1.9
306.05402	0.4
306.08823	1.3
307.06003	1.8
307.09625	1.4
308.03284	0.5
308.06754	1.2
308.10303	0.8
309.07541	2.9
309.11249	1.4
310.04919	0.4
310.08218	1.0
311.02017	0.4
311.05499	3.7
311.09134	0.9
311.12698	0.5
312.10059	0.3
313.07111	3.8
313.10474	0.5
317.04590	0.2
317.07904	0.3
319.05930	0.6
319.09756	0.8
320.06680	0.6
320.10233	0.4
321.07581	1.9
321.11252	1.0
322.04846	0.5
322.08295	1.6
323.05292	0.5
323.09103	7.0
324.06500	0.5
324.09897	0.9
325.07141	4.9
325.10739	0.6
326.04163	0.8
326.07797	7.0
326.11609	0.5
327.08707	1.3
327.12015	0.4
332.06778	0.6
333.07614	3.3
334.04788	0.5
334.08307	0.7
335.05667	0.4
335.09103	2.0
336.06323	0.4
336.09866	0.6
337.06979	1.6
337.10727	3.4
338.07693	0.6
338.11514	0.5
339.08603	2.1
339.12354	1.5
340.09409	5.5
340.13339	0.3
341.06589	0.4
341.10052	1.7
341.13794	0.5
342.11041	0.3
347.09024	1.2
348.09927	5.3
349.06970	1.5
349.10724	3.3
350.07822	1.8
351.08597	1.4
351.12082	0.4
352.09393	2.0
353.10101	1.1
354.10980	1.1
355.11823	2.2
357.09714	1.1
364.09442	2.1
365.10178	3.2
366.10757	3.2
366.14682	0.6
367.08102	0.2
367.11731	4.5
368.12231	0.3
369.13318	4.9
379.11685	7.1
379.16559	0.4
380.12192	0.7
382.10471	6.1
383.10852	0.5
397.12769	17.6
398.13287	1.4
419.06415	0.2
419.10999	1.3
432.12006	2.4
447.10345	0.4
449.12048	0.3
449.30704	0.2
457.27158	0.3
462.12802	0.8
466.48444	0.2
467.31235	0.3
475.27911	0.3
489.15399	0.5
501.15256	1.0
501.25967	0.3
519.16425	2.5
519.26929	8.1
520.17096	0.3
520.27277	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.9
51.02382	2.3
53.03948	8.3
55.01866	0.5
68.24657	0.3
69.21703	1.3
69.22128	0.9
77.03925	2.2
81.03408	0.9
95.04971	10.6
95.79716	0.3
105.03393	100.0
105.04535	4.8
106.03719	2.1
143.39806	0.3
223.04063	0.5
233.05878	0.4
239.03403	3.1
250.06479	0.5
251.03400	5.0
252.04106	1.7
253.04895	0.7
255.06456	0.4
265.04865	0.3
265.08502	0.8
266.05753	3.9
267.02988	1.5
267.06439	0.8
280.26489	0.3
282.05231	3.0
283.05878	0.7
283.09695	0.3
293.08133	0.7
295.09680	1.1
297.07568	24.8
298.07947	1.6
310.04828	0.5
311.05624	0.4
323.09128	1.2
325.07169	1.2
326.07843	0.8
337.10803	0.7
347.25836	0.4
369.13339	0.5
384.15286	0.4
391.11740	0.5
397.12692	0.5
419.11237	0.9
439.25876	0.4
443.22168	0.6
447.10687	1.2
457.27222	0.8
483.25009	0.6
501.26080	2.9
502.27087	0.4
519.27173	15.1
520.27423	1.2
536.88837	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.9
51.02372	1.9
53.03944	9.7
53.17141	0.5
55.01856	0.7
60.83300	0.5
67.05502	1.3
68.02729	0.5
70.64874	0.6
71.30139	1.0
75.04466	0.8
75.18098	0.5
77.03917	2.2
81.03411	0.7
81.07065	1.5
86.09684	1.1
91.05495	1.1
91.10297	0.6
93.07074	1.1
95.04971	11.9
96.58071	0.6
99.04439	1.7
104.10756	1.6
105.03386	100.0
105.04527	6.0
105.07031	1.0
106.03726	2.3
109.10152	0.9
111.24777	0.6
115.05463	0.6
119.04929	1.0
119.08581	1.0
121.06547	0.8
122.67486	0.5
123.66145	0.6
124.99964	0.6
127.03873	1.0
131.08528	0.5
132.05684	3.6
145.10146	0.6
147.08099	1.4
148.88892	0.5
150.62584	0.6
158.64543	0.6
165.06978	0.9
175.03899	0.9
179.10687	0.8
180.05753	0.5
181.06444	1.1
184.07338	2.2
192.09367	0.5
193.06584	0.7
194.07207	0.8
195.08064	1.0
197.05959	0.7
203.08591	0.6
206.07248	0.6
207.04099	0.5
207.08194	0.9
207.10121	7.8
208.08646	0.7
209.05914	0.6
211.07625	2.0
213.08907	0.5
219.08099	0.8
220.08861	0.5
221.05940	1.4
221.09534	0.6
222.06686	0.8
223.07571	1.4
225.05482	1.4
226.06314	1.3
227.06972	1.5
228.07762	1.2
235.07523	0.8
236.04948	1.2
236.08365	1.3
237.05380	3.6
237.09033	1.0
238.06131	1.0
239.03333	1.0
239.06987	4.5
240.04172	1.6
240.07840	2.0
241.04996	2.3
241.08519	1.5
247.07500	1.2
249.05510	1.1
249.09135	0.7
250.06213	1.3
251.03258	1.3
251.07054	2.1
251.10767	1.2
252.04227	1.0
252.07698	1.0
253.05016	1.5
253.08554	1.5
254.05769	3.6
254.09364	5.8
255.06476	2.3
255.09898	0.9
256.07211	0.8
263.07010	2.6
264.04202	1.2
264.07870	1.3
265.04926	1.8
265.08594	2.2
266.05695	2.5
266.09164	1.3
267.06525	3.7
267.09998	0.7
268.03656	1.1
268.07251	1.8
269.04486	1.5
269.08084	3.9
271.09677	0.7
275.07031	1.0
276.07843	1.2
277.08521	2.1
278.05743	0.7
278.09229	1.4
279.06528	4.0
279.10150	2.6
280.04044	0.9
280.07297	2.6
281.04504	1.7
281.08054	2.4
282.05237	2.6
282.08621	0.9
283.05994	10.6
284.06757	2.2
285.07535	2.4
289.08475	0.7
291.06573	1.9
291.09851	0.9
292.07367	0.9
293.04477	1.8
293.08060	3.9
294.05240	1.6
294.08820	3.3
295.05975	5.4
295.09637	2.4
296.06766	0.7
297.04086	1.1
297.07513	9.2
298.05020	0.8
298.08267	4.4
299.05606	1.4
299.09045	7.4
304.07376	0.8
305.08008	2.6
306.05527	0.7
306.08813	2.0
307.05862	2.4
307.09601	2.2
308.06729	1.8
308.10443	1.1
309.07538	2.8
309.11234	4.7
310.08154	1.8
310.11743	0.7
311.05551	4.5
312.05850	0.9
313.07050	3.2
313.10522	1.4
318.08875	0.8
321.07565	2.5
321.11032	0.9
322.08292	1.3
323.05392	0.6
323.09094	11.3
323.12714	1.1
324.09760	3.3
325.07071	20.6
325.10541	2.2
326.07806	33.4
327.04907	2.9
327.08472	4.3
333.07507	2.1
334.08182	0.7
335.09192	1.8
336.09857	1.0
337.07013	1.2
337.10571	5.8
338.11414	1.3
339.08545	2.0
339.12262	3.3
340.09381	33.8
341.09995	4.7
341.13916	1.8
342.07388	3.0
347.09274	0.9
348.09827	4.8
349.06888	1.3
349.10712	2.3
350.07883	1.7
351.08685	1.9
352.09286	1.5
353.10178	0.9
354.10928	0.7
355.11621	3.5
357.09665	46.2
358.09976	3.3
364.09338	1.6
365.10184	4.9
366.11011	7.1
366.15369	1.1
367.11737	6.0
369.13339	5.3
379.11700	10.6
380.12152	1.2
382.10370	1.9
397.12787	17.7
398.13318	1.5
406.10410	0.7
419.11060	0.8
457.26474	1.1
519.16339	2.4
519.27191	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.1
53.03950	10.0
55.05517	1.1
69.07716	5.6
77.03915	2.2
78.35250	0.7
79.50778	0.6
81.07061	0.7
81.38154	0.9
83.04984	2.0
83.20879	0.8
86.09731	0.7
93.07025	0.9
95.04973	9.7
98.23415	1.4
105.03394	100.0
105.04536	4.6
106.03745	1.3
107.08626	1.3
109.06502	0.9
109.20097	0.8
165.05696	0.8
165.07011	2.6
175.03993	1.4
177.68686	0.7
178.07841	1.4
181.06555	0.9
183.08099	1.7
184.07430	0.9
190.07953	0.9
191.08632	1.6
193.06555	1.0
193.10109	1.6
195.08044	1.6
198.06702	0.9
203.08540	2.0
206.07297	2.0
207.08012	1.3
208.08812	1.3
209.06166	0.8
210.06726	1.4
211.07538	2.5
218.07260	1.5
219.08113	3.8
220.08791	1.2
221.05936	1.3
221.09637	4.2
223.07553	1.7
224.08299	0.7
225.09145	1.7
226.06238	1.2
231.08101	1.5
233.05956	1.4
233.09584	1.4
234.06773	3.8
235.07506	4.9
236.08281	1.8
237.09135	1.1
238.06259	1.8
238.09906	0.9
239.06987	2.3
241.05008	1.0
241.08456	1.4
247.07561	4.1
248.08414	3.5
249.05389	1.8
249.09074	6.4
250.06175	1.2
250.09802	2.2
251.07066	2.9
251.10683	2.0
252.07722	0.9
253.04819	0.8
253.08604	2.9
254.05760	1.3
255.06410	1.9
255.10269	1.0
256.07343	1.9
261.09055	1.6
262.06314	1.7
263.07016	4.1
263.10626	0.9
264.07809	4.0
265.05545	0.8
265.08624	4.3
266.05826	1.0
266.09335	2.1
268.07388	1.5
268.10730	1.6
269.04312	1.3
269.08011	4.2
270.05103	1.2
275.06970	2.1
276.07776	2.0
277.08633	6.4
278.09299	3.1
279.06555	2.5
279.10172	7.0
280.07523	0.9
280.10712	1.6
281.08099	3.4
281.11740	3.7
283.06335	1.4
283.09650	3.6
284.06784	1.8
289.08414	1.6
290.09335	2.0
291.06439	2.9
291.10132	2.8
292.07291	1.6
293.08148	4.0
294.08759	2.1
295.06433	1.0
295.09674	3.2
296.06894	2.2
296.10342	1.1
297.07755	3.5
298.04813	1.2
299.05786	1.6
299.09116	3.5
299.12256	0.8
304.07330	1.9
305.08121	6.1
306.05606	0.8
306.08710	4.3
307.06018	2.2
307.09555	11.2
308.10379	4.4
309.07864	1.3
309.11169	5.1
310.08331	0.9
311.05893	1.0
311.09143	4.3
311.12723	2.0
312.06256	1.1
313.07037	6.7
314.04330	1.1
314.07706	6.6
318.08878	0.9
321.07471	2.6
321.11288	3.1
322.08286	2.6
323.05408	0.9
323.09106	2.2
324.09903	2.0
325.10629	1.1
326.07910	1.4
326.11453	13.3
327.08609	7.4
327.12210	3.1
329.06448	2.4
333.07452	1.4
334.08307	1.7
335.09094	6.5
336.09821	3.5
337.10663	11.3
338.11487	2.5
339.08566	1.3
339.12253	15.5
342.11014	1.9
348.09778	1.6
348.56845	1.0
349.10687	3.5
352.09439	2.1
353.10071	2.9
355.08197	2.5
357.13257	11.8
365.10184	2.9
366.11017	4.1
367.11749	31.3
368.12033	2.5
369.13290	4.3
379.11819	11.7
397.12808	31.7
398.13416	1.5
457.12796	4.7
487.13361	1.5
519.16333	12.9
519.25793	2.4
520.16217	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.1
53.03950	10.0
55.05517	1.1
69.07716	5.6
77.03915	2.2
78.35250	0.7
79.50778	0.6
81.07061	0.7
81.38154	0.9
83.04984	2.0
83.20879	0.8
86.09731	0.7
93.07025	0.9
95.04973	9.7
98.23415	1.4
105.03394	100.0
105.04536	4.6
106.03745	1.3
107.08626	1.3
109.06502	0.9
109.20097	0.8
165.05696	0.8
165.07011	2.6
175.03993	1.4
177.68686	0.7
178.07841	1.4
181.06555	0.9
183.08099	1.7
184.07430	0.9
190.07953	0.9
191.08632	1.6
193.06555	1.0
193.10109	1.6
195.08044	1.6
198.06702	0.9
203.08540	2.0
206.07297	2.0
207.08012	1.3
208.08812	1.3
209.06166	0.8
210.06726	1.4
211.07538	2.5
218.07260	1.5
219.08113	3.8
220.08791	1.2
221.05936	1.3
221.09637	4.2
223.07553	1.7
224.08299	0.7
225.09145	1.7
226.06238	1.2
231.08101	1.5
233.05956	1.4
233.09584	1.4
234.06773	3.8
235.07506	4.9
236.08281	1.8
237.09135	1.1
238.06259	1.8
238.09906	0.9
239.06987	2.3
241.05008	1.0
241.08456	1.4
247.07561	4.1
248.08414	3.5
249.05389	1.8
249.09074	6.4
250.06175	1.2
250.09802	2.2
251.07066	2.9
251.10683	2.0
252.07722	0.9
253.04819	0.8
253.08604	2.9
254.05760	1.3
255.06410	1.9
255.10269	1.0
256.07343	1.9
261.09055	1.6
262.06314	1.7
263.07016	4.1
263.10626	0.9
264.07809	4.0
265.05545	0.8
265.08624	4.3
266.05826	1.0
266.09335	2.1
268.07388	1.5
268.10730	1.6
269.04312	1.3
269.08011	4.2
270.05103	1.2
275.06970	2.1
276.07776	2.0
277.08633	6.4
278.09299	3.1
279.06555	2.5
279.10172	7.0
280.07523	0.9
280.10712	1.6
281.08099	3.4
281.11740	3.7
283.06335	1.4
283.09650	3.6
284.06784	1.8
289.08414	1.6
290.09335	2.0
291.06439	2.9
291.10132	2.8
292.07291	1.6
293.08148	4.0
294.08759	2.1
295.06433	1.0
295.09674	3.2
296.06894	2.2
296.10342	1.1
297.07755	3.5
298.04813	1.2
299.05786	1.6
299.09116	3.5
299.12256	0.8
304.07330	1.9
305.08121	6.1
306.05606	0.8
306.08710	4.3
307.06018	2.2
307.09555	11.2
308.10379	4.4
309.07864	1.3
309.11169	5.1
310.08331	0.9
311.05893	1.0
311.09143	4.3
311.12723	2.0
312.06256	1.1
313.07037	6.7
314.04330	1.1
314.07706	6.6
318.08878	0.9
321.07471	2.6
321.11288	3.1
322.08286	2.6
323.05408	0.9
323.09106	2.2
324.09903	2.0
325.10629	1.1
326.07910	1.4
326.11453	13.3
327.08609	7.4
327.12210	3.1
329.06448	2.4
333.07452	1.4
334.08307	1.7
335.09094	6.5
336.09821	3.5
337.10663	11.3
338.11487	2.5
339.08566	1.3
339.12253	15.5
342.11014	1.9
348.09778	1.6
348.56845	1.0
349.10687	3.5
352.09439	2.1
353.10071	2.9
355.08197	2.5
357.13257	11.8
365.10184	2.9
366.11017	4.1
367.11749	31.3
368.12033	2.5
369.13290	4.3
379.11819	11.7
397.12808	31.7
398.13416	1.5
457.12796	4.7
487.13361	1.5
519.16333	12.9
519.25793	2.4
520.16217	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77391	0.6
50.79519	0.6
51.18956	0.5
51.65383	0.5
55.05508	0.9
67.05500	1.6
93.07043	0.7
95.08598	1.4
101.22823	0.6
105.03386	2.2
105.07022	1.0
109.10181	0.6
121.02846	0.7
209.09610	0.7
232.08815	0.8
233.09666	0.8
245.09523	1.3
247.07544	1.2
248.08154	1.4
249.09009	2.1
253.08698	0.6
259.07602	0.8
261.09082	0.9
262.09955	4.6
263.07220	1.1
263.10590	1.4
265.12259	1.4
274.09958	0.9
275.10370	0.8
277.08511	2.4
277.12253	2.8
278.09363	3.9
278.12234	0.6
279.10141	1.3
280.10907	0.7
281.08127	0.7
289.08670	1.4
290.09442	2.3
291.09988	1.7
292.10837	3.7
293.08484	1.4
293.11655	8.5
294.42505	0.7
303.10138	1.4
305.08017	2.4
305.11703	4.5
305.14725	0.8
306.08847	1.1
306.12372	0.8
307.09863	1.3
307.13272	3.9
308.10333	1.9
308.14056	3.6
309.11316	0.8
319.09485	1.6
320.10446	11.6
321.11133	9.9
323.12735	4.1
334.12329	0.8
335.12756	100.0
336.09387	0.5
336.13339	10.3
351.12277	12.6
352.12744	1.0
365.13800	4.0
366.14606	77.5
367.15259	7.5
397.16449	38.6
397.21771	1.4
398.16812	2.6
453.09427	0.7
464.21396	0.8
475.21176	1.5
519.18695	5.7
519.25366	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	1.0
51.02386	1.9
52.86599	0.2
53.03948	8.3
54.04273	0.2
55.01863	0.3
58.40521	0.2
60.08162	0.6
62.90015	0.2
67.05506	0.2
69.07603	1.1
69.08031	0.7
71.07369	0.2
77.03921	2.1
81.03427	0.9
86.09705	2.5
87.10046	0.4
95.04968	10.4
96.05323	0.2
104.10052	0.2
104.10742	4.3
105.03390	100.0
105.04529	4.9
105.11097	0.5
106.03706	1.7
106.08717	0.2
117.03391	0.2
124.99992	1.7
145.02823	0.2
163.17503	0.2
177.05487	0.6
184.07349	4.6
185.07680	0.6
195.07903	0.3
202.07771	0.3
207.19604	0.2
209.06081	0.2
213.09013	0.3
220.08582	0.2
221.09573	0.4
223.07536	0.4
224.08223	0.5
225.09100	0.7
231.08028	0.3
232.08864	0.3
233.09599	1.5
234.10089	0.2
235.07516	0.7
235.11186	0.4
237.09105	0.4
237.12686	0.4
238.06264	0.3
239.07014	0.2
240.07742	0.3
247.07552	0.8
247.11238	0.3
248.08388	0.5
249.09090	1.5
250.09828	1.2
251.10619	0.2
252.07712	0.3
253.08632	0.8
253.12015	0.2
254.05930	0.2
254.09505	0.3
255.10185	0.4
256.07162	0.2
259.07599	0.4
260.08136	0.4
261.09097	1.8
262.09921	2.4
263.07043	1.7
263.10770	1.1
264.07724	0.4
264.11337	0.3
265.08633	0.9
265.12289	1.9
266.09305	0.5
268.07361	0.8
268.10904	0.9
269.08051	0.5
271.06012	0.3
274.10019	0.2
275.06979	0.7
275.10410	0.4
276.07806	0.6
276.11456	0.7
277.08582	2.3
277.12192	0.7
278.09363	3.4
278.12384	0.4
279.06689	0.4
279.10004	0.6
280.07535	0.4
280.10806	0.5
280.14520	0.2
281.08069	0.9
281.11285	0.3
282.08853	0.2
283.09628	1.6
284.06879	0.4
284.10413	0.5
288.07584	0.2
289.08557	0.8
290.09341	0.8
291.06769	0.4
291.10144	1.9
292.07507	0.4
292.10861	1.7
293.08087	3.9
293.11694	5.1
294.08737	0.5
294.12030	0.3
295.13416	0.2
296.06866	0.3
297.07492	0.2
299.05896	0.3
299.09213	0.6
299.12518	0.2
303.10101	0.4
304.07288	0.5
304.10791	0.4
305.08081	2.7
305.11710	1.7
306.08841	2.3
307.09598	1.6
307.13281	0.6
308.07083	0.3
308.10416	1.9
308.14029	0.8
309.07507	0.7
309.11154	1.2
311.09171	1.7
312.06470	0.2
312.09912	0.5
313.07361	0.2
314.07758	0.6
318.08972	0.3
319.09592	2.2
320.06638	0.4
320.10385	7.3
321.07535	2.0
321.11099	9.8
322.08157	0.5
322.11688	0.9
323.09055	0.5
323.12741	1.3
324.09674	0.5
324.13589	0.7
326.11459	8.8
327.08585	1.0
327.12177	1.6
329.10117	1.5
333.11243	0.2
334.11966	3.7
335.09186	0.8
335.12735	6.3
336.09857	4.7
336.13547	2.9
337.10629	1.7
337.14276	0.6
339.12161	0.7
339.16003	1.0
342.10980	1.6
343.11627	0.6
350.11343	1.0
351.12250	30.1
352.12839	2.5
353.10184	0.8
357.13312	9.2
357.17786	0.4
358.13593	0.5
365.09390	0.4
365.13818	6.7
366.14597	53.0
367.15350	10.7
368.15976	0.3
371.10962	0.3
382.14203	2.9
383.14780	0.5
397.16434	15.8
398.16696	0.9
487.01068	0.3
487.17447	0.3
488.17963	0.4
518.32336	0.3
519.20251	4.9
519.27032	1.0
519.32800	0.6
520.20288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02306	1.0
53.03860	3.5
55.05440	1.2
57.07352	0.6
67.05412	2.8
69.06989	1.2
75.64059	0.6
77.03832	0.9
79.05412	1.3
81.03329	1.0
81.06999	1.7
83.08578	0.7
85.27570	0.7
86.09631	1.1
86.10191	0.7
91.05386	1.7
91.27216	0.8
93.06930	2.6
95.04859	6.2
95.08527	1.7
104.10656	2.1
105.03391	46.2
105.04021	2.0
105.04393	3.7
105.06909	2.2
107.08530	1.4
109.10104	1.8
117.06911	0.7
119.08487	1.4
133.10114	1.2
145.10049	1.5
146.39767	0.7
157.09962	0.9
159.11559	0.9
163.79388	0.8
169.10048	0.8
175.11162	0.9
179.08472	1.0
184.07234	1.2
195.07994	1.4
197.09521	2.8
201.16179	0.8
207.07990	0.9
209.09657	0.9
210.06728	4.4
211.07465	0.8
212.08339	1.1
213.08951	1.6
215.07018	1.0
220.56145	0.7
223.07430	1.9
225.09096	7.5
226.06212	1.0
227.06949	0.8
237.09146	0.8
238.06131	2.4
238.09929	0.8
239.06941	1.3
240.07729	2.8
240.11516	1.7
240.68790	0.7
241.08586	4.3
251.06938	2.3
252.07707	2.2
253.04901	1.4
253.08548	8.7
254.05484	0.8
254.09227	1.4
255.10046	5.3
256.07318	1.3
266.05594	0.9
267.06491	1.2
267.10178	0.8
268.07248	7.9
268.10873	7.5
269.04221	0.7
269.07971	5.7
277.08423	0.9
278.09402	0.8
280.07288	2.5
281.04666	1.2
281.08060	11.1
282.08667	1.6
283.06705	1.3
283.09650	13.0
284.06757	4.4
284.10297	4.3
285.07471	1.1
293.11774	1.5
294.08917	1.1
295.06049	0.8
295.10043	0.9
296.06702	4.0
296.10349	2.1
297.07526	3.3
297.10840	1.2
299.05600	1.7
299.09100	8.7
299.12689	2.9
305.07938	0.9
311.09140	23.4
311.12732	1.3
312.06537	1.6
312.09854	4.8
314.07739	1.1
321.11191	1.9
326.11469	100.0
327.08536	9.7
327.12189	20.9
329.10220	2.4
337.10614	1.0
342.10843	11.8
343.11157	1.3
351.12283	4.0
357.13306	87.6
358.13611	6.8
366.14624	4.5
367.11465	1.1
367.15439	2.1
369.13519	0.8
397.16727	1.8
450.13263	1.2
457.26895	1.6
475.28238	6.4
483.25427	0.9
501.25867	1.9
518.26660	1.0
519.26758	26.8
520.27173	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72683	0.6
53.03946	4.1
55.05495	0.9
56.37347	0.6
56.64471	0.7
58.63016	0.6
60.04179	0.7
67.05473	1.7
69.07040	1.7
81.03384	0.6
81.07029	1.1
83.04958	0.7
83.08615	1.3
91.05464	0.9
93.07030	0.9
95.04965	3.8
95.08586	1.8
96.35284	0.5
98.23140	4.6
98.28362	0.6
105.03400	35.4
105.04496	2.7
105.07005	1.1
106.03722	0.7
107.08591	1.4
109.10156	1.2
131.08485	0.9
140.84918	0.7
145.02713	0.6
145.10138	1.4
171.68819	0.6
191.22838	0.7
195.08163	1.4
197.09596	2.1
199.31630	0.7
207.08032	0.8
209.11700	2.5
210.06732	2.9
213.09187	0.8
223.07509	2.1
224.08167	1.5
225.09143	6.7
227.10538	0.8
229.25737	0.7
235.07339	0.7
237.05496	1.2
237.08986	0.7
238.06305	1.4
239.06993	1.7
240.07745	2.6
240.11407	2.0
241.08640	3.8
251.07080	2.3
252.07701	2.1
253.04991	1.4
253.08598	7.9
254.09325	1.6
255.10187	4.4
256.10831	1.0
266.05783	0.9
266.09238	0.7
267.06555	1.0
268.07257	8.1
268.10938	8.7
269.08011	6.1
269.11032	1.3
271.06216	1.3
271.09628	0.7
278.09436	1.0
280.07364	2.2
281.08060	10.3
282.08652	1.0
283.09644	12.3
284.06805	4.1
284.10397	5.7
293.08258	0.7
293.11725	1.4
295.06036	1.1
296.06799	3.5
296.10388	3.6
297.07544	2.8
297.10995	1.1
299.05875	1.2
299.09140	9.0
299.12787	3.5
301.06470	0.7
311.09116	23.0
312.09763	4.4
313.34256	0.7
314.07837	1.1
321.11249	1.8
323.12820	0.7
326.11481	100.0
327.08539	10.9
327.12177	18.7
328.09085	0.7
328.12637	0.9
329.10175	2.9
342.10977	15.6
343.11539	0.8
351.12317	2.5
357.13321	86.9
358.13699	6.2
366.14587	4.3
367.15384	2.0
397.16550	2.1
413.89310	0.8
519.25226	0.9
519.37030	1.8
538.28455	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.2
50.55738	0.2
51.02387	0.7
53.03947	1.7
55.01868	0.2
59.25882	0.2
64.94555	0.1
69.15783	1.5
73.38791	0.2
77.03913	0.9
79.83469	0.2
81.03416	0.3
87.19060	0.2
87.60729	0.2
93.07052	0.3
95.04954	2.0
95.08618	0.2
101.31222	0.2
102.04697	0.5
103.05466	52.5
104.05803	1.3
104.10760	0.4
105.03386	0.6
105.04495	0.9
131.04924	100.0
132.05254	2.2
218.94052	0.2
322.78076	0.2
519.25043	10.7
520.25415	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2504
Annotation	Asp Thr Gln Arg
Peak:m/z	Relative Intensity
56.24887	0.3
57.65981	0.3
69.29713	2.4
72.66816	0.3
78.72169	0.4
83.77719	0.3
164.55226	0.4
324.74036	0.3
501.24002	0.8
519.25067	100.0
520.25378	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2508
Annotation	Asp Thr Gln Arg
Peak:m/z	Relative Intensity
60.08144	1.1
61.02142	0.3
70.59190	0.8
71.07347	0.4
75.56715	0.3
86.09702	2.8
98.60296	0.3
98.98463	0.3
104.03115	0.4
104.10744	4.9
105.03379	2.2
119.08482	0.3
125.00035	2.0
131.34203	0.3
133.66611	0.3
133.88139	0.3
174.32112	0.3
177.23853	0.3
179.29440	0.3
184.07353	5.8
186.44856	0.4
210.63306	0.3
335.19931	0.3
457.26996	1.2
475.27835	1.2
501.26031	4.0
519.25232	100.0
520.25763	8.4
520.34271	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2508
Annotation	Asp Thr Gln Arg
Peak:m/z	Relative Intensity
53.03928	1.0
55.05515	5.7
58.26187	0.8
60.08148	1.3
67.05492	3.5
69.07056	1.5
69.79399	1.9
69.79790	2.3
79.05501	1.7
81.07042	3.2
83.04964	3.4
83.08585	1.1
86.09693	4.9
91.05451	2.4
93.07034	3.3
95.04954	1.9
95.08588	5.1
102.89213	0.9
104.10755	9.0
105.03392	4.3
105.07018	2.2
107.08582	2.2
109.10122	3.5
111.08050	1.2
117.15225	1.0
119.08555	3.6
121.10143	2.7
123.11657	1.8
124.99990	2.6
131.08557	1.3
133.10162	1.5
135.08009	1.2
135.11732	2.0
145.10129	2.3
147.11734	1.3
157.10147	1.1
159.11705	1.7
161.13222	1.2
173.34497	1.0
181.12248	1.0
184.07350	12.0
184.47401	0.9
187.14780	1.2
211.14716	1.3
235.16855	0.9
241.98148	1.0
248.87280	1.0
269.79279	1.0
402.19879	2.2
457.26587	1.8
475.27548	2.1
478.44327	1.0
501.24741	5.0
519.25287	100.0
520.25867	7.0
520.33112	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07717	0.2
53.03963	0.2
60.08167	1.4
67.05493	0.3
69.23701	2.1
71.07360	0.4
81.07079	0.3
86.09715	4.3
91.50748	0.3
95.04955	0.3
95.08629	0.4
98.98404	0.4
104.10741	8.0
105.03392	2.8
121.10154	0.3
125.00027	2.5
136.44914	0.2
147.24396	0.3
155.17435	0.3
184.07355	8.9
207.10066	0.6
212.04555	0.4
257.08505	0.3
264.23068	0.3
342.00589	0.3
349.17737	0.4
397.12805	0.5
457.27243	1.3
475.28101	1.9
489.02347	0.3
501.26120	4.0
502.26218	0.5
502.32977	0.7
519.25311	100.0
520.25592	9.4
520.33990	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.5
55.05507	6.8
67.05508	10.8
69.03432	15.9
69.07076	13.0
70.73717	4.2
75.07628	2.5
75.08058	2.6
79.05496	10.1
81.07066	9.0
82.17101	2.3
83.04990	6.5
85.06515	2.7
91.05483	11.8
93.07059	12.5
95.08611	20.8
97.06528	2.7
101.03143	2.4
105.03400	3.1
105.07037	15.9
107.08613	9.5
109.06538	5.5
109.10159	3.7
111.04426	4.4
111.08072	8.4
117.07005	5.8
119.08575	14.4
121.06496	6.4
121.10180	4.7
123.08095	13.0
128.06221	4.6
129.07053	4.5
131.08569	11.6
133.06505	4.8
133.10141	11.0
134.34103	2.4
135.08044	7.6
135.11723	3.6
137.05984	4.4
137.09624	4.2
139.07553	7.7
142.07764	5.5
143.08600	12.0
144.09160	2.8
145.10155	9.7
147.08073	9.5
147.11678	4.3
149.09637	5.4
155.08565	8.4
156.09392	3.5
157.10144	10.2
159.08070	6.0
159.11714	5.5
161.09676	7.1
161.13177	3.6
163.07539	3.0
163.11162	5.3
165.07051	2.8
167.08574	4.4
169.10109	7.3
171.08017	3.7
171.11700	9.1
173.09642	8.5
175.11241	4.4
177.05595	2.9
179.08583	6.1
181.10081	5.0
183.08157	3.7
183.11734	6.7
185.09619	7.4
185.13300	7.9
187.11211	7.1
189.09163	4.7
189.12706	4.4
191.10643	4.5
193.10168	6.2
195.11713	7.0
197.09528	5.5
197.13336	5.4
199.11143	5.1
201.09105	3.4
201.12743	5.2
203.14407	3.3
205.10291	3.9
206.10973	4.8
207.11719	9.8
209.13396	3.2
211.11201	7.3
211.14760	3.6
213.12761	6.8
215.10710	3.2
217.12196	3.3
219.11761	3.3
221.13239	6.1
222.14032	3.5
223.11227	3.7
224.11839	3.8
225.12790	3.5
227.10577	2.9
229.12251	3.2
231.13840	2.8
232.12343	3.5
233.13307	3.6
235.14951	3.6
237.12790	4.0
239.14320	5.2
241.12361	3.2
242.56889	2.7
245.13396	3.8
247.14883	3.7
249.12903	3.2
253.12462	4.3
253.15956	7.9
259.14902	3.0
263.14249	3.8
267.13739	6.2
279.13785	3.3
295.16953	5.2
297.15103	3.1
299.06155	3.6
313.18042	3.1
323.16492	8.7
323.20038	5.0
341.17365	2.9
351.19550	8.3
369.20654	39.6
370.20953	3.8
371.22263	3.5
379.19104	4.3
387.21658	9.9
397.20123	47.1
398.20483	4.0
407.18088	3.2
415.21173	100.0
416.21350	5.7
421.24057	3.6
423.22058	6.8
425.19354	4.3
433.22330	9.4
437.23260	10.8
441.23849	13.5
443.20758	7.2
455.24362	4.6
459.25256	21.5
465.22699	13.3
483.23737	44.1
501.24860	57.6
502.25409	4.2
519.27417	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75903	1.7
53.03933	1.3
55.01878	1.6
55.05508	8.1
57.03434	3.2
64.91387	1.3
65.03922	1.5
67.05505	9.1
69.03442	7.1
69.07059	4.3
70.57027	3.9
71.04993	3.3
79.05497	6.7
81.07043	12.3
83.04981	4.2
83.08618	3.1
91.05466	10.2
93.07040	11.7
95.04960	5.5
95.08613	23.1
97.06535	3.1
101.00806	1.3
105.03413	1.3
105.07034	12.9
107.04939	2.0
107.08593	10.9
109.06503	10.9
109.10152	5.1
111.08080	5.3
117.07023	6.4
119.04876	1.4
119.08588	14.2
121.06456	6.4
121.10136	8.8
123.04449	1.8
123.08070	9.3
125.05981	2.6
128.06201	2.7
129.06979	5.3
131.08549	8.2
133.06454	3.1
133.10156	11.7
135.08026	9.7
135.11702	3.2
136.25848	1.4
137.05989	5.5
137.09596	2.9
139.07513	2.5
139.11122	2.4
141.06999	2.0
142.07796	4.1
143.08574	8.8
145.06494	3.0
145.10126	10.8
145.40555	1.3
147.08061	7.3
147.11688	4.5
149.05991	2.5
149.09624	3.5
151.07559	2.7
151.11162	1.5
155.08539	3.6
156.09372	2.3
157.10110	12.2
159.08060	5.9
159.11713	8.5
161.06006	1.9
161.09613	14.1
161.13248	3.7
163.07603	1.5
163.11163	4.7
165.07027	2.3
165.09143	1.8
168.09308	1.6
169.10118	7.7
170.10846	2.8
171.08035	3.8
171.11665	6.2
172.04738	1.5
173.09633	8.2
173.13289	1.7
175.11189	5.5
177.09099	3.7
179.08611	1.9
179.10760	1.7
181.10109	4.7
182.11050	1.8
183.08020	2.5
183.11624	6.6
185.09583	4.7
185.13213	7.1
186.90993	1.3
187.07539	2.1
187.11139	7.9
189.09100	5.5
189.12750	4.1
191.10669	2.8
193.10149	2.8
194.10797	2.2
195.11684	5.0
197.09604	4.3
197.13243	3.1
199.11159	6.5
201.09222	2.2
201.12726	5.8
203.10587	3.3
203.14262	4.3
205.12178	1.6
206.10846	1.6
207.10042	1.4
207.11731	3.5
209.09641	2.1
209.13281	3.0
210.10118	1.7
211.11142	4.9
211.14862	4.0
213.09012	2.3
213.12759	3.7
215.10646	3.6
217.12004	3.3
219.11806	2.4
221.09511	2.0
221.13223	3.8
222.10396	1.5
223.11179	4.8
223.14803	3.8
225.12744	3.1
225.16374	1.8
227.10666	2.6
227.14250	2.6
229.12236	4.1
231.13754	2.6
232.12428	1.4
235.11176	1.8
235.14842	3.4
237.12698	5.1
239.10527	2.1
239.14299	4.0
241.12201	3.0
243.13771	2.2
244.92455	1.3
249.12718	2.9
250.17038	1.6
251.10631	1.8
253.15910	3.2
260.15628	1.8
261.16440	1.6
263.14230	1.8
265.16034	2.4
267.13770	2.7
267.16895	1.2
268.14099	1.9
269.15286	1.9
269.18948	1.5
271.16916	2.0
275.17966	2.7
279.17459	4.1
281.11499	1.6
281.15375	2.9
283.13330	2.9
283.16953	1.5
291.17236	1.5
293.15338	1.9
293.18878	3.1
295.13162	1.3
295.16962	1.5
297.14914	2.0
299.16467	1.6
303.17441	3.0
307.16870	6.2
307.20316	1.8
309.14926	1.9
309.18423	1.7
311.20111	2.7
321.18460	7.4
327.16006	1.6
331.16876	2.5
333.18176	1.7
335.20090	1.8
339.19589	5.1
341.13907	3.3
349.17947	3.3
349.21765	1.7
357.20471	2.0
359.20126	2.0
361.21509	3.0
363.19437	2.8
367.18973	3.4
369.20184	1.4
373.21658	1.8
375.23260	1.7
377.20932	3.0
379.22577	3.8
381.20462	2.9
393.24164	3.2
395.22049	3.9
397.20047	1.8
401.20355	1.6
403.22366	2.0
404.21582	2.9
405.20856	2.6
406.20752	8.0
409.19717	2.3
411.25351	6.8
413.23352	2.2
415.20734	2.5
419.22079	4.5
421.23840	6.4
423.21320	1.9
424.22183	1.6
427.21219	3.9
437.23218	15.2
439.24817	34.9
440.25116	4.0
441.22403	4.7
447.21548	4.1
455.24173	10.0
457.25647	3.9
459.23770	2.1
465.22696	16.7
466.23041	2.9
483.23752	100.0
484.23929	7.8
501.24811	74.7
502.25009	6.5
517.99866	1.7
519.25995	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86075	0.5
67.05497	2.0
69.07065	0.7
69.21192	3.0
69.21598	0.9
74.09738	0.7
81.07068	1.3
91.05485	1.0
93.07047	1.2
95.08643	0.6
97.12976	0.5
97.58243	0.4
98.23383	0.8
105.03371	1.1
105.07013	0.7
107.08619	1.0
109.10132	0.6
119.08591	0.7
121.10154	1.0
121.69354	0.5
131.08618	0.8
143.08591	0.7
145.10190	0.9
147.11717	0.6
178.85216	0.5
208.12953	0.5
335.25677	1.2
348.10736	0.5
365.10184	0.7
413.24738	2.3
439.26004	2.1
457.27145	37.7
458.27460	3.3
475.28226	3.7
501.25980	5.6
519.27203	100.0
520.27521	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.272
Annotation	longirostrerone C
Peak:m/z	Relative Intensity
53.03949	0.4
55.05509	0.3
67.05502	0.5
70.57655	0.7
70.58037	0.2
71.83262	0.2
81.07066	0.5
91.18797	0.2
93.07069	0.6
95.04965	0.6
95.08613	0.3
105.03392	4.2
105.07014	0.2
107.08594	0.2
108.52349	0.2
109.10158	0.3
119.08568	0.4
120.72596	0.2
133.02625	0.4
134.72127	0.2
159.11710	0.2
193.90428	0.2
260.46460	0.2
276.63687	0.2
297.07541	1.2
399.22418	0.5
401.20825	0.3
417.23828	0.3
439.25949	1.0
457.27155	8.8
458.27374	0.7
466.30609	0.3
475.27698	1.3
483.24973	0.3
501.26080	5.6
502.26434	0.5
519.27173	100.0
520.27509	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2719
Annotation	longirostrerone C
Peak:m/z	Relative Intensity
53.65519	0.3
55.05513	0.5
55.63000	0.3
57.96538	0.3
67.05508	0.6
69.43504	0.8
69.43912	1.4
79.05508	0.4
81.07057	0.7
83.04977	0.3
83.08628	0.3
93.07036	0.5
95.04945	0.4
95.08610	1.4
105.07024	0.8
106.66393	0.4
107.08599	0.9
119.08611	0.6
123.08062	0.4
131.08554	0.5
143.08589	0.4
145.10208	0.5
156.65437	0.3
157.10141	0.3
171.11626	0.5
183.11578	0.4
235.14775	0.3
267.53760	0.3
325.43579	0.3
417.24341	0.6
424.29108	0.5
439.26175	0.8
448.29517	0.4
457.27173	7.8
461.22870	2.4
466.30753	1.9
475.27908	1.8
483.25204	0.5
484.25803	0.4
501.26120	25.9
502.26459	1.7
519.27185	100.0
520.27466	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.05514	5.8
58.18687	0.8
62.89315	0.7
67.05510	4.8
67.63354	0.9
67.82775	0.7
69.03416	0.9
69.06401	6.8
79.05494	2.8
81.07059	3.2
83.04983	15.1
91.05472	3.6
93.07053	5.9
95.04967	2.3
95.08614	7.4
97.06529	1.2
98.22608	1.3
105.07051	5.0
107.08606	3.5
109.06561	1.2
109.10168	1.9
111.04453	6.3
111.08098	2.6
115.05429	1.2
117.07043	3.4
119.08617	4.4
121.06515	2.0
121.10164	2.0
123.08092	1.3
128.06248	1.3
129.07022	2.9
131.08586	3.9
133.02643	3.9
133.10170	3.9
135.08113	1.5
139.07558	1.7
141.07034	2.4
142.07841	2.2
143.08577	3.9
145.10152	2.4
147.08112	1.0
147.11700	1.5
153.06995	1.4
154.07791	2.2
155.08543	9.8
156.09361	2.1
157.10162	2.7
159.08087	1.8
159.11711	2.6
161.09621	1.7
165.07025	2.0
166.07719	1.1
167.08607	3.3
169.10141	6.6
171.07996	0.9
171.11649	4.3
173.09581	1.7
178.07803	1.2
179.08551	3.8
180.09348	1.8
181.10178	2.7
182.10855	0.9
183.11734	2.2
185.09593	1.0
185.13231	1.2
187.11215	2.6
191.08571	2.0
192.09340	3.1
193.10130	5.0
194.10938	1.6
195.08147	1.2
195.11705	5.0
197.09671	3.0
197.13350	2.1
199.11171	0.8
202.07797	1.1
203.08473	1.5
204.09337	1.0
205.10164	3.2
206.10880	3.6
207.11708	11.4
208.12378	2.2
209.09676	1.4
209.13240	4.0
213.09065	2.3
215.08716	1.5
215.10780	2.7
216.09424	1.3
217.10139	3.0
218.10849	2.1
219.08260	1.1
219.11720	4.7
220.12505	1.8
221.13248	5.6
223.11263	1.1
229.10143	2.9
230.10991	2.5
231.11632	3.9
232.12483	2.3
233.09552	1.1
233.13261	3.3
234.14090	1.3
235.11266	1.1
235.14923	2.0
243.11812	4.5
244.12534	3.0
245.13248	7.2
246.13937	1.4
247.14932	2.8
249.12859	0.8
251.10634	0.9
252.11572	0.9
255.13840	3.3
256.12463	1.5
257.13254	4.4
258.14066	3.3
259.14755	6.7
260.12006	0.9
260.15436	1.1
261.12833	1.3
261.16473	2.5
265.12292	2.3
267.11450	0.9
267.13852	6.8
269.15375	0.9
271.14932	2.6
272.12003	1.0
272.15643	2.1
273.12851	1.3
273.16428	4.3
274.17062	1.3
275.14587	1.1
275.17969	2.6
279.13989	0.9
284.15591	1.8
285.13110	1.2
285.16397	3.8
286.13550	0.9
286.17130	1.4
287.14511	1.6
287.17844	1.9
291.13913	1.0
293.15320	1.1
299.14844	1.2
299.17929	3.1
300.18533	1.5
301.16174	1.7
301.19537	2.7
303.17465	1.3
303.20844	1.3
305.15387	2.4
313.19632	0.9
314.20200	1.8
315.17526	1.1
315.21039	1.2
317.15463	1.7
319.16925	2.7
320.17676	1.6
321.18610	0.9
327.17459	2.3
329.19019	1.4
330.16144	1.1
331.17004	1.1
331.20557	1.4
333.18597	1.3
335.25653	0.8
345.18637	4.0
347.20117	1.0
349.21625	5.1
359.19809	1.8
360.21002	2.9
399.23331	3.1
406.14890	0.9
413.24878	6.3
415.26273	6.1
423.23065	1.8
441.24234	21.7
442.24588	1.9
459.25317	45.4
460.25443	3.8
501.26184	1.9
519.27338	100.0
520.27527	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78444	2.9
53.03936	3.5
55.01857	3.6
55.05507	11.3
67.05505	19.4
70.16866	8.2
78.21214	2.7
79.05495	14.2
79.19655	2.9
81.07095	15.3
81.07501	4.3
83.04981	25.7
83.08646	3.7
86.09707	10.7
87.10044	3.1
88.56209	3.0
91.05452	14.7
92.93108	3.4
93.07021	16.1
95.04979	6.1
95.08607	18.9
96.34937	2.4
96.85174	2.8
103.89217	2.6
105.03388	4.0
105.07040	14.0
107.08582	6.6
109.10169	9.8
111.04449	12.3
111.08035	4.9
117.06982	7.4
119.08603	13.8
121.06573	3.4
121.10150	8.3
123.08069	4.1
124.99986	8.7
128.06252	3.7
129.07024	6.6
131.08582	6.8
133.06461	3.3
133.10129	11.3
135.08083	4.5
139.07661	3.2
141.06973	3.7
142.07753	6.0
143.08534	8.7
145.10117	10.9
147.08064	3.3
154.07750	3.9
155.08551	20.3
156.09254	5.0
157.10098	6.5
159.07950	4.1
159.11697	6.3
163.11246	4.2
165.06995	4.8
166.07793	4.3
167.08534	6.4
169.10121	12.1
171.11723	4.9
172.44228	2.7
173.09613	4.6
173.13148	4.2
179.08592	5.8
181.10046	3.5
181.30383	2.9
182.10748	3.2
183.11690	6.9
184.07329	36.3
185.07683	9.2
185.13371	3.5
191.08488	3.8
192.09454	6.6
193.10094	7.5
195.11697	5.0
197.09630	6.0
202.07858	3.5
204.09259	3.0
205.10135	4.8
206.11014	4.6
207.11694	17.9
208.12325	3.5
209.13297	4.6
215.08606	4.5
215.10580	3.3
218.10751	2.8
219.11754	12.3
221.13220	9.5
225.12651	4.6
229.10139	4.7
231.11697	5.4
233.13292	8.6
243.11653	9.0
244.12402	6.6
245.13293	8.9
247.14781	3.8
249.12949	3.3
255.13815	4.1
257.13284	5.5
258.13953	6.7
259.14911	11.4
261.16245	3.4
262.95825	3.1
267.13751	13.5
271.14703	4.9
273.16272	6.2
275.18048	4.1
277.15790	3.2
285.12958	3.6
285.16342	7.7
295.05902	3.7
299.18042	3.7
301.19318	6.2
310.27704	2.9
319.16980	5.8
335.25696	5.5
345.18497	5.5
349.21655	7.0
369.79385	3.1
413.24771	8.8
415.26157	11.3
431.25912	3.7
441.24249	22.5
445.22946	3.7
459.25320	71.8
460.25299	4.3
467.24063	5.9
485.25128	4.1
519.27802	100.0
519.75092	3.0
520.27454	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3082
Annotation	19-Demethoxylebstatin
Peak:m/z	Relative Intensity
55.05027	0.5
56.18546	0.5
67.05504	1.3
69.49586	0.5
71.30508	0.7
77.26133	0.5
81.07069	0.6
98.22826	0.7
105.03367	0.7
142.17981	0.5
223.15123	0.6
267.71017	0.6
302.53220	0.5
387.18143	0.8
475.31723	1.2
487.28180	38.0
488.28622	4.1
519.24634	27.8
519.30743	100.0
520.23578	3.3
520.31689	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3318
Annotation	Saponaceolide E
Peak:m/z	Relative Intensity
55.01871	4.3
55.05513	28.3
57.03436	2.6
57.07063	4.3
63.79430	2.5
67.05507	27.8
69.03438	5.5
69.07072	22.1
69.36803	4.5
69.37207	15.8
71.04998	14.1
71.35537	3.1
79.05485	22.1
81.03423	3.6
81.07057	38.9
83.04983	70.8
83.08621	11.0
85.02884	3.4
85.06545	5.8
91.05460	24.5
93.07043	37.3
94.07368	3.2
95.04991	10.5
95.08598	41.9
97.02887	9.5
97.06534	11.4
97.10180	5.9
98.23338	3.8
99.04448	18.9
99.05016	3.4
99.08105	9.1
101.06042	4.7
103.05478	4.3
105.07033	48.6
107.08596	50.1
109.06522	83.9
109.07252	6.3
109.10153	30.5
111.04411	3.2
111.08077	17.8
113.06011	4.3
115.03896	3.9
117.07035	14.0
119.08591	59.5
121.06491	5.7
121.10153	40.2
123.04386	3.1
123.08083	9.1
123.11679	13.8
125.05913	2.8
125.09606	4.1
127.03914	17.6
127.07554	29.3
128.06226	5.5
129.07024	7.8
129.09152	7.1
131.08569	26.6
133.06532	4.0
133.10136	44.8
135.07979	6.4
135.11681	14.6
137.05905	4.1
137.09639	9.1
137.13239	4.2
141.05435	3.2
141.07088	3.6
142.07831	5.1
143.08542	22.0
144.09241	4.0
145.04980	3.7
145.10130	43.7
145.88855	2.8
147.08083	9.7
147.11705	27.8
149.09630	5.9
149.13260	9.8
151.11157	4.2
155.07077	9.9
155.08559	13.2
157.08865	5.3
157.10115	45.0
159.08099	5.8
159.11700	36.7
161.09619	15.9
161.13313	15.0
163.11234	6.3
165.09117	3.0
167.10719	3.5
169.10136	23.4
170.11060	3.3
171.11694	34.5
173.08133	34.3
173.09610	6.8
173.13269	18.5
175.11263	6.9
175.14810	9.9
177.09146	6.1
177.12784	4.6
179.10667	11.4
181.10144	6.8
181.12196	6.2
183.11678	20.3
185.09637	3.7
185.13310	16.4
187.11188	7.1
187.14851	16.1
189.09184	3.2
189.12701	7.0
189.16454	6.0
191.10735	3.3
193.10193	5.0
193.12279	8.3
195.11729	12.4
197.09586	3.3
197.11662	5.6
197.13286	12.3
199.11258	5.6
199.14865	11.2
201.12769	6.6
201.16351	7.3
203.14412	3.8
203.18047	3.1
205.12158	5.4
207.11800	5.8
209.13297	10.1
211.13068	3.9
211.14867	13.1
213.12833	6.1
213.16441	9.4
215.14407	3.9
217.12248	4.6
219.13733	7.4
221.13318	5.4
223.14792	5.8
225.16327	5.9
227.14320	5.2
227.17923	6.0
231.13908	6.0
233.15340	8.7
235.14847	4.3
237.16425	9.9
239.18013	6.2
243.12311	9.5
243.17430	5.2
245.13089	3.7
245.15414	5.3
247.16989	7.2
249.16318	5.7
251.18100	4.5
253.15753	3.8
253.19629	4.2
255.17419	5.9
257.15445	6.2
263.20169	7.4
267.21204	4.1
269.19046	5.0
271.16995	5.4
271.20425	3.7
273.18527	10.9
275.20148	7.0
287.20081	8.3
289.21658	8.6
293.22644	5.2
299.06143	3.5
309.22202	5.9
311.23706	8.8
327.23181	23.9
329.24731	100.0
330.25119	7.9
331.56625	3.4
357.27911	31.3
358.28271	4.2
367.26697	3.2
403.29828	4.2
421.31207	3.6
437.30508	8.0
439.32010	11.1
445.25287	3.2
455.31625	10.6
465.30002	9.3
467.55408	3.7
473.32474	5.1
483.31091	25.4
484.30997	4.0
501.32104	86.0
502.32346	7.2
519.27118	17.6
519.34473	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.5
55.05511	15.1
57.07081	7.8
67.05507	24.1
69.03416	3.5
69.07068	18.5
71.08633	6.2
71.30184	3.8
79.05497	8.8
81.03424	4.1
81.07063	28.0
83.01322	4.0
83.05000	4.0
83.08618	11.1
91.05486	5.9
93.07047	9.3
95.04958	2.8
95.08611	20.2
97.06551	4.1
97.10172	10.4
105.07058	3.3
107.08553	4.9
109.10161	8.9
111.04408	3.9
111.11723	3.4
118.04839	2.4
121.10143	6.7
123.11703	5.9
125.02364	2.7
125.05971	3.0
132.38588	2.3
135.11682	5.8
139.76363	2.4
141.05438	3.1
148.93030	2.6
153.05461	3.1
167.07043	3.3
209.11757	3.0
214.48804	2.3
251.16460	3.5
265.18051	4.2
299.06137	6.8
421.33157	27.8
433.32840	4.3
475.37793	100.0
476.38065	6.4
501.39291	16.6
519.40424	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29008	2.1
57.03424	4.6
61.02924	5.0
64.69283	1.7
68.15334	1.5
69.03417	9.7
71.04996	1.9
71.29601	1.8
79.05502	1.6
80.06037	1.5
81.03417	5.8
83.01361	2.3
85.02905	38.2
97.02892	15.5
99.04439	2.0
103.05473	3.0
105.07027	43.0
109.02860	2.8
122.09665	20.4
126.25793	1.9
127.03938	7.0
131.04939	6.3
135.04420	3.6
137.02342	6.5
145.02824	2.1
145.04958	10.7
147.04431	6.4
149.05971	4.0
157.06511	1.9
159.04422	5.4
161.02307	4.6
161.05995	2.9
161.40462	1.9
163.02594	1.3
163.03899	27.8
169.06528	3.7
173.05962	3.0
175.03906	4.0
177.05476	23.3
179.03322	2.5
183.04576	1.9
185.06039	2.3
187.03899	4.0
189.05472	5.9
191.03391	2.9
193.04936	4.6
197.05998	4.2
199.03979	2.5
201.05447	6.8
203.03415	3.2
203.07040	2.2
205.04968	66.2
205.06891	3.6
206.05408	2.7
207.02863	8.7
213.05484	6.6
215.06960	3.7
217.04958	17.8
229.04903	4.5
231.06561	3.7
241.05002	3.4
243.06586	3.9
245.04395	5.0
259.06033	6.2
277.07068	11.2
281.06619	2.5
293.62357	1.7
295.08145	3.2
299.06055	1.7
323.07596	100.0
324.08038	4.4
341.08734	6.9
403.68115	1.6
520.20697	2.3
521.21698	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06375	0.7
69.40022	2.9
74.97990	0.6
79.05492	1.2
85.02908	1.1
86.20124	0.6
89.03917	2.1
91.05460	1.2
93.07025	1.1
98.23370	1.5
98.97594	1.2
103.05474	8.1
107.04974	1.7
117.03413	1.7
119.04993	0.9
120.08111	100.0
121.06491	2.2
121.08427	2.6
131.04951	3.2
135.04465	2.2
137.54251	0.7
145.02820	1.9
147.04425	2.5
149.05977	1.0
163.03915	24.4
164.04376	1.1
166.08643	37.8
167.05687	0.7
167.09015	1.1
206.91666	0.7
211.00896	1.3
221.03186	0.9
301.12186	0.8
337.04034	1.3
355.04993	1.2
498.22778	0.7
520.20966	1.0
521.08704	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88682	11.5
60.21011	10.6
69.24483	75.5
76.83377	12.1
83.23232	10.8
90.61928	12.5
98.22644	24.9
183.65129	12.2
250.09709	18.5
293.11688	14.4
351.12305	100.0
381.13382	68.8
384.83929	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.7
53.96935	1.0
55.05492	3.0
57.03429	12.9
60.04509	1.0
61.02914	1.1
69.03410	3.5
70.63586	1.2
71.04992	82.1
73.02904	2.8
75.04475	3.8
79.05475	2.9
81.07034	1.3
83.04973	6.8
84.04463	1.0
85.02905	100.0
86.03227	1.8
87.04459	3.0
91.05482	4.6
93.03379	2.2
95.04983	1.2
95.08611	1.1
97.02873	4.2
97.06500	1.0
99.04443	3.7
101.13326	1.0
103.05451	1.4
105.07000	5.0
107.04282	1.6
107.04955	20.8
107.08578	4.0
109.02863	1.2
109.06496	1.5
109.10113	1.2
111.04435	4.5
111.05151	1.1
115.05460	2.8
115.07548	1.2
117.07011	1.4
119.04965	1.6
119.08561	2.6
121.10143	1.6
122.03613	1.9
123.04394	1.7
123.11719	1.2
127.03898	2.7
129.05481	32.7
129.06999	2.9
131.08546	4.3
133.10139	6.0
135.08040	13.0
137.05966	13.6
141.06935	1.2
145.04945	2.4
145.06538	1.1
145.10059	1.3
146.08119	2.9
147.06526	14.5
147.07787	1.6
147.08058	1.5
147.11633	1.5
151.03871	1.4
155.08638	1.1
159.08043	3.5
162.07623	3.0
163.07539	20.0
164.07964	1.4
164.09105	4.9
166.63692	1.1
167.07037	50.9
168.07381	1.7
173.13231	2.1
175.07552	4.4
180.08725	1.5
187.07535	10.6
189.09068	2.9
191.14310	15.0
192.07658	1.5
195.10158	36.3
196.10492	1.6
204.07764	2.7
205.08635	2.3
207.10159	8.9
213.09204	1.3
219.10110	9.4
221.11696	9.4
225.11223	1.9
227.10733	1.1
231.10228	1.8
237.11153	2.3
245.11758	2.4
247.09599	2.9
249.11165	3.1
255.10431	1.2
261.11182	1.6
287.12726	2.5
305.13882	3.5
326.14398	1.3
521.21161	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.05512	1.7
57.03442	8.6
61.02941	0.8
69.03439	2.2
69.62833	3.5
71.04995	55.8
72.05321	1.0
73.02925	1.4
73.99126	0.7
75.04476	2.4
79.49299	0.8
83.04981	9.2
85.02906	77.7
85.22088	0.8
87.04498	1.3
94.04176	0.9
97.02913	2.3
98.22667	1.2
99.04488	1.2
102.42645	0.7
111.04433	6.4
117.03427	0.8
122.03685	2.5
123.83390	0.8
127.03928	2.5
129.05479	32.5
131.04993	1.0
131.08539	1.8
137.05974	100.0
138.06360	2.7
145.02876	1.7
145.04976	1.4
146.08130	1.1
147.06516	12.0
153.05519	0.8
159.08075	2.6
164.09210	3.3
177.05504	2.6
177.09154	1.8
179.07065	2.7
180.55580	0.7
189.09164	1.6
191.07045	0.9
191.10692	6.4
195.10120	6.0
201.09157	1.1
203.07043	3.1
207.10219	5.7
219.10216	4.0
229.08621	1.8
247.09727	3.1
268.42361	0.9
287.12781	3.3
305.14032	1.7
333.85779	0.9
342.17621	1.0
377.17191	0.8
453.07324	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.5
55.05514	3.5
56.65119	1.3
56.96570	1.4
57.03436	10.2
61.02930	2.0
67.05494	1.9
69.03426	4.3
71.04995	75.1
75.04486	5.4
76.02243	1.4
79.05495	3.1
81.03419	1.6
81.07073	2.3
83.04989	10.5
84.04510	1.5
85.02908	100.0
86.03251	1.7
87.04501	2.3
91.05506	3.0
94.04167	1.2
95.04975	1.3
97.02896	2.9
99.04465	2.8
103.05485	5.8
105.07032	1.9
107.04342	1.2
107.04946	7.2
111.04453	2.9
115.05479	2.0
121.06590	1.3
122.03670	1.4
127.03935	3.7
129.05492	36.0
131.04922	1.5
131.08580	1.5
135.08073	5.3
137.05991	17.5
139.03868	2.1
144.06628	2.0
145.06548	2.3
145.10036	1.4
146.08183	2.6
147.06535	17.3
151.03932	2.1
154.06248	22.8
161.05986	2.5
162.02203	2.1
162.07733	1.8
163.07530	19.6
164.07954	1.3
164.09201	5.2
167.07130	1.8
173.06076	2.0
175.07629	1.9
180.08788	1.8
181.08684	1.5
195.10176	60.1
196.10468	1.6
205.08577	2.4
207.08371	1.3
207.10246	3.8
215.83202	1.5
219.10222	2.0
221.08035	3.1
239.02316	2.4
259.13321	1.9
287.12735	3.3
305.13965	4.8
326.14651	2.4
373.17892	3.1
443.06534	1.6
502.18945	1.8
503.21497	1.9
507.51691	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.8
55.05494	1.9
57.03429	2.3
57.07079	1.0
61.02922	0.9
63.12121	0.6
67.05495	2.7
69.03424	5.1
69.07058	1.9
69.99010	2.6
71.01357	0.7
71.04998	0.9
72.50642	0.7
73.02933	3.3
79.05500	5.6
79.33241	0.7
81.03406	1.3
81.07059	4.7
83.08617	0.7
85.02900	7.1
87.04439	1.0
91.05479	12.1
93.07041	5.9
95.04976	1.2
95.08588	2.2
97.02873	3.2
103.05418	0.9
105.07029	17.8
107.08600	11.3
109.06493	2.2
109.10098	1.1
115.03928	2.8
115.05435	1.5
116.06231	1.8
116.93843	0.6
117.07010	8.0
118.76734	0.7
119.07777	1.2
119.08577	15.5
120.08974	0.7
121.06506	1.2
121.10143	12.1
123.08065	1.3
127.03905	2.1
128.06206	2.0
129.07013	7.3
130.07764	2.3
131.08571	27.8
132.06569	1.1
132.08873	1.2
132.35710	0.6
133.04959	4.3
133.10146	6.9
135.08032	4.8
135.11694	0.8
137.06003	3.8
137.09665	0.8
142.07776	0.8
143.08557	14.9
144.09323	5.1
145.04956	1.7
145.10127	17.0
147.11696	11.6
148.11978	0.8
149.09644	1.4
149.13272	7.0
150.07587	1.9
157.10114	1.2
158.10909	17.8
159.11290	0.9
161.05910	0.7
163.05991	0.8
167.06946	0.7
173.13261	63.5
174.13586	2.1
175.14807	4.5
191.14308	100.0
192.14630	4.2
209.15381	1.8
231.02515	0.6
244.15497	3.1
285.07877	0.6
305.17496	1.3
323.39966	0.8
521.18079	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39342	0.5
55.01863	2.1
55.05508	1.3
57.03436	2.4
57.07074	1.0
67.05489	2.1
69.03432	3.0
69.07059	1.7
71.01345	0.7
71.29235	0.7
72.04489	0.5
73.02925	2.6
77.25304	0.4
79.05491	4.7
81.07063	2.9
83.04977	0.7
84.44003	0.5
85.02909	4.8
91.04968	0.8
91.05483	10.0
93.07039	4.4
95.04982	1.0
95.08593	1.4
97.02895	2.3
99.04470	0.6
103.05444	0.6
105.07027	13.5
107.08597	10.7
109.06546	1.0
109.10141	0.9
115.03915	1.9
115.05443	1.2
116.06213	1.3
117.07015	6.3
119.08579	14.1
121.06560	0.6
121.10141	12.5
123.08059	0.9
125.09596	0.6
127.03918	1.5
128.06238	1.6
129.06992	6.5
130.07796	2.0
131.08565	21.2
132.06566	0.7
132.09229	0.5
133.04990	2.3
133.10126	5.1
135.08055	3.2
135.11713	0.8
137.06009	3.3
143.08559	11.6
144.09360	2.8
145.04941	1.1
145.10127	15.2
146.10483	1.0
147.10623	0.6
147.11688	6.8
149.09651	1.3
149.13251	7.4
150.07605	1.4
151.07605	0.5
157.10117	0.9
158.10909	12.6
168.49660	0.6
171.11693	0.7
173.13264	32.3
174.13608	1.6
175.14790	3.9
191.14307	100.0
192.14595	4.4
209.15390	1.8
223.12894	0.5
227.16457	0.6
305.17307	0.5
323.18298	0.6
350.93271	0.5
460.36520	0.5
503.20221	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
55.02425	1.1
55.05504	1.7
57.03432	2.5
57.07059	1.1
59.04992	1.3
61.02975	1.2
61.03376	1.3
61.98386	1.2
66.88881	1.1
67.05501	2.0
69.03431	37.8
69.07077	3.1
70.63765	2.7
73.02919	6.9
78.29006	1.1
79.05491	1.2
79.48760	1.0
80.24836	1.0
81.07050	3.6
83.04980	3.3
83.08604	1.3
85.02907	8.0
85.06532	2.1
91.05480	2.7
92.89626	1.1
93.07052	3.3
95.08603	8.0
97.02870	4.9
97.06538	2.1
105.07012	3.6
107.04977	1.1
107.08595	10.9
109.06518	4.4
109.10150	3.1
111.08014	2.5
115.03932	1.9
119.08567	3.1
121.06470	1.5
121.10140	8.1
123.08050	2.9
123.11689	6.2
125.09627	19.0
131.08585	5.4
133.04947	2.4
133.10126	4.9
135.08040	10.4
135.11681	3.4
137.05969	5.0
138.06348	1.4
143.08549	1.3
145.05009	2.7
145.10136	4.1
147.11665	3.1
149.09627	4.9
149.10719	1.1
149.13284	3.3
151.11116	1.3
153.09116	7.0
158.10915	2.7
161.05925	2.0
161.09482	1.2
163.07510	1.3
163.11194	3.1
163.14845	3.7
165.12715	2.8
173.13269	18.8
176.11880	1.2
188.35397	1.1
191.14313	65.6
192.14600	2.3
209.15370	100.0
210.15712	5.3
285.57632	1.2
520.24707	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.05278	1.3
55.05515	17.5
55.63649	1.1
56.70818	1.2
67.05495	4.0
69.03407	1.2
69.07046	2.4
69.81515	4.6
69.81916	2.6
79.05490	4.1
81.03463	1.2
81.07056	4.7
83.04983	100.0
91.05492	6.0
93.07020	2.9
95.04984	2.1
95.08604	4.2
105.07013	6.4
107.08594	4.3
109.06516	3.1
109.10137	1.4
116.27076	1.1
117.07027	2.0
119.08608	6.1
121.06480	1.5
121.10158	2.2
127.15566	1.1
129.07010	2.1
131.08546	4.2
133.10141	5.3
135.08078	1.5
135.48665	1.3
137.05991	4.0
139.07483	1.6
143.08522	4.6
145.10117	5.9
155.08522	2.6
157.10121	4.9
159.11722	5.0
161.09608	3.9
169.10086	3.3
171.08064	1.4
171.11703	2.8
173.09695	1.9
173.13283	2.4
175.11249	2.0
179.08595	1.8
183.11717	3.7
184.12451	1.4
185.13261	6.2
187.11284	1.8
187.14844	1.9
195.11710	1.7
199.14922	1.7
201.16255	1.9
207.40544	1.3
209.13298	1.3
211.11176	1.5
213.12703	1.3
225.12706	1.5
227.14325	1.4
242.36494	1.2
267.17493	2.6
293.19403	1.0
309.11304	1.7
323.19934	1.7
341.21060	1.6
355.15302	6.5
367.19098	2.2
395.25839	1.9
405.24557	1.9
423.25375	6.2
458.27771	2.4
502.35684	1.3
520.23956	13.7
521.23016	6.0
521.29132	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
53.10595	1.7
53.51749	1.9
55.05518	22.0
58.11636	1.9
67.05511	14.1
69.03416	3.4
69.07050	6.2
70.66106	2.2
71.31111	3.6
76.77667	1.8
77.52790	1.8
79.05494	8.2
81.03400	2.3
81.07059	13.3
83.04985	100.0
83.08607	4.2
84.05310	3.0
85.06535	2.4
87.33572	2.0
87.62223	2.0
91.05469	13.1
93.07042	13.1
95.04952	5.1
95.08604	17.1
97.02924	2.3
103.05486	2.4
105.07034	16.8
107.08598	9.3
109.02847	2.0
109.06509	7.6
109.10136	8.8
111.04452	11.6
111.08069	4.4
115.05367	2.8
117.07006	4.5
119.08596	14.3
121.06520	3.1
121.10139	8.3
123.08057	3.9
123.11689	2.1
124.10871	1.9
128.06215	2.0
129.07008	2.8
131.08574	10.3
133.10117	10.8
134.05975	1.9
135.11685	4.5
137.05942	4.2
137.09610	2.3
142.07813	3.1
143.08545	11.4
145.06541	2.6
145.10094	15.2
147.08012	2.4
147.11685	7.4
153.05450	5.7
155.08565	5.4
156.09221	2.8
157.10150	9.9
159.11661	13.6
161.09631	10.8
161.13312	5.4
163.11258	2.9
163.14778	2.3
165.07088	2.6
165.09119	4.8
167.05577	2.0
167.08571	3.9
169.10129	7.1
171.11653	6.5
173.09624	5.5
173.13292	6.0
181.10112	4.7
183.11705	6.8
185.13239	7.8
187.14796	6.9
193.10211	3.9
195.11717	4.6
197.13281	4.5
199.14836	2.4
201.16388	5.3
207.11771	4.4
209.13258	6.0
210.10283	2.3
211.11142	4.2
211.14807	4.3
217.69527	2.0
221.13280	2.9
223.14726	4.5
225.16483	2.2
227.14510	2.1
229.19446	3.0
237.12515	2.2
241.12302	2.2
243.21228	2.2
247.14684	2.4
249.16583	2.2
265.15906	2.0
269.18860	3.4
271.20612	6.6
273.03943	2.5
323.19907	5.3
334.47809	2.0
381.35208	2.5
405.24213	10.3
409.19708	2.6
423.25220	4.7
431.21979	2.9
449.22775	3.3
520.27228	21.8
520.35889	6.2
521.28949	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
59.05003	0.6
65.03938	0.5
67.05506	0.9
69.03438	1.1
69.64900	1.2
69.65305	1.8
71.04989	1.2
72.14653	0.4
73.02908	0.9
73.06553	1.9
81.07065	0.6
85.02913	1.8
87.04465	9.1
89.06029	100.0
90.06358	0.7
91.05466	0.7
93.07066	0.5
95.04973	1.3
95.08591	0.6
97.02885	1.1
98.22700	1.0
99.04464	2.7
105.07026	0.9
107.07069	1.5
107.08580	0.8
109.06544	0.9
115.03967	0.7
116.10734	0.5
117.09199	0.5
119.08585	0.8
121.06522	0.6
121.10139	1.6
131.04932	0.7
131.07054	4.0
132.51311	0.5
133.08597	59.8
134.08920	1.2
134.53157	0.5
137.05962	5.0
138.06331	1.8
145.10130	0.5
147.04382	0.6
149.13295	0.8
151.03862	0.7
168.04674	0.5
175.09676	2.0
177.11208	20.9
191.14279	0.6
209.11714	0.7
209.15453	1.4
221.13786	3.7
227.16446	4.5
265.16461	1.1
283.17334	0.9
312.42322	0.5
327.20258	0.5
336.13098	0.6
348.13165	1.2
366.14078	0.6
371.22598	0.8
374.82050	0.5
395.62741	0.5
415.25217	0.7
431.18982	0.8
459.28140	1.1
482.44669	0.5
502.18942	1.3
503.30591	5.6
520.20313	1.1
520.34277	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.2
56.05039	0.6
57.03440	0.2
58.06633	0.4
58.10550	0.1
58.19064	0.1
60.08165	7.2
60.60581	0.1
67.05510	0.6
69.07067	0.3
69.09116	0.3
69.09521	0.6
71.06977	0.2
71.07375	3.6
79.05516	0.2
81.07066	0.5
86.09706	34.4
87.10035	0.5
91.05479	0.2
93.07024	0.2
95.08599	0.3
98.23350	0.2
98.98462	4.3
104.10741	3.1
105.03404	0.3
107.08605	0.2
109.10131	0.1
121.59037	0.1
125.00002	24.9
126.00366	0.1
143.01079	0.1
184.07343	100.0
185.07709	1.3
258.11075	0.3
337.27322	0.1
346.71307	0.1
356.17639	0.1
502.32965	0.7
509.34711	0.1
520.26721	0.2
520.33997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.9
56.05038	1.4
57.03427	0.3
58.06578	1.5
59.07373	0.4
59.55891	0.2
60.08163	18.8
67.05505	2.9
68.01945	0.2
69.07066	1.2
69.36472	0.3
69.36877	1.0
70.06577	0.2
71.07375	7.6
79.05499	1.1
80.97417	0.2
81.07057	2.6
83.08617	0.4
86.09705	55.3
87.10000	0.4
91.05491	0.3
93.07036	0.9
95.08606	2.3
97.22350	0.2
98.98468	4.7
104.10742	100.0
105.03396	0.4
105.07027	0.4
105.11066	1.1
107.08593	0.4
109.10154	0.6
119.08572	0.4
123.11731	0.3
125.00002	29.9
136.91150	0.2
143.01080	0.3
163.01492	0.4
168.09137	0.2
184.07338	99.7
185.07692	1.3
255.03099	0.2
258.10977	1.3
337.27335	1.0
443.25717	0.3
497.87885	0.2
502.32904	7.4
503.33304	0.7
520.33978	19.9
521.26996	0.4
521.34149	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	2.3
55.05511	16.9
57.07090	4.7
60.58492	2.0
62.26842	2.0
67.05507	24.3
69.07067	9.6
69.15728	8.3
69.16134	7.1
79.05496	12.0
80.71105	2.0
81.07060	26.7
83.04987	9.5
83.08627	8.1
85.06561	2.4
91.05475	10.8
93.07053	20.5
95.04962	3.1
95.08612	67.3
97.06533	2.9
97.10193	8.0
98.60553	2.3
99.04475	5.1
101.06030	4.6
105.03402	9.1
105.07048	14.0
107.08609	27.2
109.06519	57.8
109.10154	23.8
110.10480	2.1
110.93334	2.1
111.04456	5.4
111.08067	3.8
113.31922	1.9
117.07013	3.5
119.08596	23.7
121.06525	3.2
121.10146	15.8
123.08080	4.3
123.11649	4.9
123.41434	2.2
125.09653	2.0
127.07583	4.6
128.54964	2.0
129.07024	2.4
131.08597	9.0
133.10129	24.1
135.08093	2.4
135.11714	9.8
137.05962	14.6
137.13403	2.7
139.07568	5.1
143.08528	10.0
145.10127	22.8
147.08122	4.3
147.11681	10.9
149.09567	3.1
149.13278	7.6
151.14961	2.7
155.07037	35.6
157.10127	18.9
159.11725	14.8
161.09578	12.8
161.13281	8.6
163.11203	4.7
169.10083	6.2
170.10832	2.6
171.11710	15.2
173.09628	2.6
173.13165	10.1
175.11209	8.8
175.14833	6.3
179.10722	3.7
183.11668	10.2
185.13271	12.0
187.11153	3.6
187.14861	9.5
189.16431	17.6
195.11763	3.4
195.13731	2.3
197.13240	9.8
199.14825	6.6
201.12798	5.5
201.16408	4.4
203.17943	3.3
207.11655	2.7
209.13283	4.1
211.14862	7.2
213.12700	4.6
213.16393	5.3
215.14343	4.4
217.15846	2.5
217.45767	2.5
219.13840	5.8
221.15315	3.2
223.16919	5.1
225.12871	2.9
225.16470	4.3
227.14330	4.4
227.17871	2.9
229.15990	2.9
229.19493	2.4
231.13846	6.0
231.17528	6.4
233.15500	2.7
235.17020	4.5
237.18707	3.0
238.41690	2.2
239.18019	2.8
245.15370	4.7
247.17000	3.3
249.16257	2.2
249.18605	9.6
251.17952	2.8
253.16014	2.8
261.18591	4.1
265.15887	2.0
265.19556	2.1
275.20087	3.3
283.20639	2.2
295.24197	6.7
311.23679	5.1
313.25034	11.6
325.21396	5.0
327.23230	5.8
329.24866	7.7
331.26355	31.3
335.26077	3.4
349.21661	2.9
385.23834	2.5
407.29596	4.3
421.31097	3.0
425.30490	8.7
431.29639	15.5
449.30536	30.5
467.31595	43.8
468.31854	5.9
485.32617	8.5
503.27963	10.4
520.27417	9.6
521.28778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.4
55.05508	23.9
57.07065	5.2
66.02530	3.6
67.05507	29.3
69.03421	5.2
69.07066	15.5
69.30579	20.3
71.05012	4.2
79.05489	19.0
81.07052	45.0
82.09856	3.2
82.47921	3.1
83.04977	15.0
83.08613	18.9
85.06553	4.0
91.05476	20.4
93.07052	37.2
94.05520	4.2
95.04949	7.2
95.08048	6.4
95.08611	100.0
97.06514	7.1
97.10154	11.4
99.04469	5.2
101.06001	9.5
105.07028	26.1
107.08594	55.2
109.06509	76.9
109.10157	42.9
111.04424	8.5
111.08081	8.9
115.07592	3.9
117.07040	6.3
119.08572	37.8
121.10149	26.0
123.08019	5.5
123.11694	9.6
127.07568	8.2
131.08542	19.6
133.10149	27.6
135.08025	6.5
135.11690	15.3
137.05984	22.4
139.07590	6.6
143.08574	18.8
145.10155	35.8
147.08081	5.7
147.11703	16.5
149.09543	8.6
149.13229	9.9
153.05144	3.3
155.07016	43.0
155.08412	7.4
156.09317	6.4
157.10107	24.2
159.08031	5.3
159.11703	24.1
161.09639	15.9
161.13254	12.7
163.11188	6.4
163.14865	3.5
165.09152	4.2
169.10126	11.7
171.11656	24.2
173.09610	9.5
173.13254	17.9
175.11249	10.1
175.14850	9.1
179.10716	6.2
183.11696	11.1
185.09583	3.4
185.13193	17.2
187.11136	6.2
187.14854	12.9
189.16402	13.9
193.12245	3.4
195.11775	6.7
197.13301	10.4
199.11171	4.2
199.14815	14.6
201.12674	7.5
201.16423	7.6
203.17975	7.0
205.12177	3.5
205.16095	3.7
207.13777	3.7
209.13249	6.8
211.11243	3.9
211.14877	11.6
213.12758	6.6
213.16391	11.1
215.14246	4.0
215.17908	4.4
219.11761	4.3
219.13753	9.2
221.15442	3.4
223.14807	7.0
225.12848	6.3
225.16333	4.7
231.17584	4.9
233.15489	4.1
235.16972	11.6
241.15889	4.9
243.13881	5.0
245.15332	6.9
247.16971	9.6
249.18431	13.8
261.18497	5.6
269.19131	3.8
271.16895	4.1
273.18597	4.3
274.22760	3.5
275.19965	6.1
279.17413	3.7
285.18509	4.5
291.55038	3.5
293.02844	3.7
295.24155	6.7
297.18439	3.8
313.25327	15.9
325.21725	5.0
327.23294	5.3
329.24500	8.4
331.26370	36.8
379.22760	4.2
421.30881	5.6
425.30276	12.6
431.24268	4.1
431.29288	23.9
449.30469	43.5
467.31561	54.0
468.31918	4.7
485.32660	15.6
520.35657	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59018	3.6
52.91854	3.2
54.08500	4.3
54.66639	4.0
55.01880	5.1
55.05508	24.9
55.29612	4.4
57.07077	10.2
57.34181	3.5
59.04984	4.2
59.60783	3.7
64.05215	3.8
67.05502	32.6
69.07071	24.3
69.11337	32.9
70.93012	3.5
71.04991	6.1
77.03970	3.6
79.05486	17.5
81.07058	56.3
83.04977	8.8
83.08612	16.2
85.06535	5.9
91.05486	21.3
93.07024	43.8
93.49266	3.7
95.04974	11.9
95.08603	100.0
97.06527	16.3
97.10165	6.3
99.04446	4.8
105.07022	41.7
107.08587	53.0
109.06502	25.4
109.10155	51.1
111.08074	9.4
117.07015	8.2
119.08581	48.8
121.06482	4.3
121.10137	44.6
123.08062	12.0
123.11707	19.3
125.05966	4.8
130.30167	3.7
131.08548	14.8
133.10114	34.5
135.08057	11.8
135.11705	32.6
137.05975	5.1
137.09546	6.3
137.13278	6.3
139.07552	11.2
143.08569	12.2
145.10109	38.1
147.08008	11.4
147.11691	23.9
149.09631	7.5
149.13254	11.1
151.14848	4.3
155.07014	14.9
157.10121	16.4
159.11678	38.1
161.09593	12.9
161.13269	25.2
163.11172	12.5
163.14847	7.7
165.09113	9.3
169.10147	6.6
171.11703	17.0
173.09644	12.6
173.13300	17.2
175.11157	10.4
175.14844	16.0
177.09288	4.4
177.16386	8.1
181.12321	10.6
183.11674	6.8
185.13228	16.0
187.14873	15.7
189.12711	9.3
189.16420	9.0
191.10612	5.8
193.12236	9.6
195.11670	6.8
197.11494	4.4
197.13292	11.0
199.11153	5.7
199.14862	10.0
201.12721	8.9
201.16370	9.4
203.14368	6.2
203.17932	6.8
205.12198	5.3
209.13333	5.8
211.14879	8.7
213.12741	5.9
213.16400	7.2
215.14317	12.9
219.13782	13.2
221.15358	15.0
225.16385	5.5
227.14403	8.1
229.15741	4.8
231.17407	11.5
233.15450	6.9
235.16911	9.0
237.14891	5.4
245.15366	5.1
247.16881	15.8
249.18544	5.8
253.17957	38.5
290.61200	4.0
299.20117	5.2
311.20023	4.5
313.21426	5.1
327.23294	7.9
331.26334	10.9
339.23245	4.8
340.24075	13.0
345.24078	4.9
409.27463	5.8
421.30991	21.0
425.26816	7.7
427.28387	8.0
431.29471	12.5
435.32611	5.2
439.32086	13.9
440.29092	30.2
449.30505	31.4
453.33774	6.7
457.36450	5.9
467.31262	45.9
485.32391	19.1
485.36200	18.7
503.37234	7.9
520.35168	20.8
521.37592	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.05515	12.2
56.14795	1.8
57.03430	2.1
57.07069	3.3
60.08165	12.3
65.03931	2.9
67.05503	21.4
69.03421	2.5
69.07061	9.7
71.05003	3.1
71.07362	5.8
71.31673	2.3
79.05479	14.0
81.07059	25.3
83.04987	8.9
83.08611	8.1
86.09702	35.8
91.05482	12.1
93.07041	32.8
94.07369	3.4
95.04977	5.4
95.08604	64.9
97.06529	5.4
97.10150	4.3
98.98456	3.6
99.04442	4.0
104.10745	40.9
105.03387	12.7
105.04485	2.0
105.07039	25.5
107.08588	33.5
109.06520	4.1
109.10150	25.6
111.04426	3.6
111.08089	7.5
113.06020	2.5
117.07030	4.6
119.08583	33.0
121.06498	4.3
121.10147	27.6
123.08054	6.8
123.11697	8.4
125.00007	22.6
125.09641	2.5
127.01970	1.8
129.07008	4.9
131.08572	17.7
133.06500	3.0
133.10106	25.1
135.08063	5.3
135.11691	14.7
137.09613	5.0
137.13222	3.3
139.07530	4.5
141.09088	4.4
143.08537	8.9
145.10121	34.7
147.08009	4.0
147.11713	17.6
149.09659	4.7
149.13268	7.2
151.07472	3.8
154.94191	5.2
155.07008	3.1
155.08521	3.3
156.09375	2.7
157.10129	15.7
158.10727	2.9
159.08069	4.7
159.11694	34.6
161.09593	9.6
161.13246	13.2
163.07635	2.6
163.11230	3.8
163.14812	2.3
165.09189	2.9
169.08717	2.6
169.10155	5.5
171.11682	13.4
172.95206	3.7
173.09624	8.8
173.13260	18.7
175.11130	3.6
175.14763	10.3
177.09059	3.6
177.16353	5.3
181.10236	2.0
183.11766	4.7
184.07343	100.0
185.13307	14.0
187.11186	6.3
187.14815	17.5
189.12764	4.4
189.16422	4.7
190.96332	2.1
191.10649	3.1
195.11699	3.0
197.13327	7.0
199.11130	2.4
199.14760	11.0
201.12756	6.7
201.16449	8.9
203.14265	3.9
209.13292	3.4
211.11113	1.9
211.14847	4.1
213.12628	5.1
213.16393	7.7
215.14357	7.9
215.17918	4.5
219.13792	6.4
221.15399	4.1
223.14865	3.7
227.14221	3.5
227.17897	2.9
228.97903	3.2
229.15797	4.7
229.19635	2.5
231.13834	2.4
233.15352	7.6
235.16946	3.5
237.14719	2.7
239.16327	4.3
241.15869	2.1
241.19440	2.4
243.21007	2.1
245.15359	6.7
247.16872	6.0
251.16412	7.4
253.19673	3.0
255.21071	3.6
259.17191	3.0
263.16431	4.7
281.22534	4.7
297.72070	1.9
301.18271	2.1
305.41653	2.0
309.11188	2.2
309.22159	2.7
315.23190	2.8
324.13354	2.0
327.23181	5.7
341.24698	3.2
345.24139	7.1
353.24677	5.9
355.15323	16.5
357.24454	2.0
363.23300	3.0
371.16669	1.9
379.22696	3.0
381.23996	9.0
395.29309	8.8
397.30881	4.6
399.25250	2.7
401.22873	2.1
421.30963	40.6
422.31125	4.6
431.29279	5.4
439.32117	16.8
449.30371	18.6
458.27374	5.2
467.31543	19.7
485.32581	40.2
486.33072	3.8
502.26212	3.4
502.32861	3.8
520.26971	21.2
520.34351	8.3
521.26740	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02380	0.3
53.03946	0.5
55.05511	1.4
56.05038	0.6
57.07076	0.4
60.07883	0.4
60.08166	5.3
67.05514	1.9
69.07065	1.3
69.14088	2.2
71.07374	3.3
79.05504	1.6
81.07055	3.3
83.04972	0.7
83.08624	0.7
86.09706	30.4
87.10017	0.5
91.05469	1.3
93.07048	2.8
95.04954	0.8
95.08608	6.6
95.09199	0.2
97.06528	0.9
97.10204	0.3
98.98478	3.2
99.04467	0.4
104.10746	3.2
105.03405	2.2
105.07035	3.3
106.03748	0.4
107.08601	3.8
109.06499	0.9
109.10170	3.2
111.04459	0.5
111.08092	0.9
113.05990	0.3
117.06989	0.8
119.08573	2.9
121.06550	0.4
121.10156	2.4
123.08067	0.8
123.11725	1.4
125.00005	22.0
129.06918	0.4
131.08571	1.6
133.10123	2.5
135.08026	0.7
135.11688	1.3
137.09604	1.0
139.07513	0.5
141.09048	0.5
143.08569	1.0
145.10143	3.1
146.10477	0.3
147.08058	0.6
147.11705	2.2
149.09622	0.5
149.13332	0.7
151.07594	0.5
155.08485	0.4
155.10681	0.5
157.10089	1.5
159.08052	0.5
159.11674	2.9
161.09608	0.9
161.13315	1.5
163.14758	0.4
169.10168	0.5
171.11726	1.6
173.09633	0.5
173.13234	2.2
175.11151	0.6
175.14824	1.2
177.09116	0.3
179.10701	0.4
183.07973	0.4
183.11671	0.5
184.07344	100.0
185.07684	1.1
185.09508	0.3
185.13277	0.8
187.11179	0.5
187.14830	1.6
189.12823	0.5
189.16422	0.5
191.10718	0.4
191.29276	0.3
197.13310	0.5
199.14786	0.9
201.12740	0.9
201.16412	0.7
203.14368	0.5
207.10291	0.4
208.10512	0.4
211.14790	0.4
213.16399	0.7
215.14328	0.9
219.13765	0.5
221.15352	0.3
229.15868	0.5
231.13757	0.4
233.15390	1.1
235.07762	0.4
235.16966	0.3
237.09238	0.3
237.14857	0.9
239.16280	0.4
245.15399	0.5
247.16890	0.9
251.16388	0.6
267.10193	0.3
277.17963	0.8
281.04358	0.7
281.22607	0.4
295.09598	0.6
296.06888	0.4
297.07672	1.0
325.10736	0.6
326.07852	2.6
327.08417	0.8
327.23163	0.5
345.24191	0.9
351.12378	0.4
353.24295	0.3
355.11749	1.6
357.09750	0.9
369.13406	0.4
379.22446	0.4
395.29413	0.6
397.31360	0.4
399.14325	1.0
403.29938	0.4
409.27133	0.5
421.31100	2.9
422.31311	0.3
431.29431	0.7
439.32108	2.9
449.30286	1.8
467.31522	2.7
485.32574	4.7
486.33087	0.4
502.32919	0.7
520.27167	0.5
520.34174	1.3
521.28497	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	2.3
55.05511	16.9
57.07090	4.7
60.58492	2.0
62.26842	2.0
67.05507	24.3
69.07067	9.6
69.15728	8.3
69.16134	7.1
79.05496	12.0
80.71105	2.0
81.07060	26.7
83.04987	9.5
83.08627	8.1
85.06561	2.4
91.05475	10.8
93.07053	20.5
95.04962	3.1
95.08612	67.3
97.06533	2.9
97.10193	8.0
98.60553	2.3
99.04475	5.1
101.06030	4.6
105.03402	9.1
105.07048	14.0
107.08609	27.2
109.06519	57.8
109.10154	23.8
110.10480	2.1
110.93334	2.1
111.04456	5.4
111.08067	3.8
113.31922	1.9
117.07013	3.5
119.08596	23.7
121.06525	3.2
121.10146	15.8
123.08080	4.3
123.11649	4.9
123.41434	2.2
125.09653	2.0
127.07583	4.6
128.54964	2.0
129.07024	2.4
131.08597	9.0
133.10129	24.1
135.08093	2.4
135.11714	9.8
137.05962	14.6
137.13403	2.7
139.07568	5.1
143.08528	10.0
145.10127	22.8
147.08122	4.3
147.11681	10.9
149.09567	3.1
149.13278	7.6
151.14961	2.7
155.07037	35.6
157.10127	18.9
159.11725	14.8
161.09578	12.8
161.13281	8.6
163.11203	4.7
169.10083	6.2
170.10832	2.6
171.11710	15.2
173.09628	2.6
173.13165	10.1
175.11209	8.8
175.14833	6.3
179.10722	3.7
183.11668	10.2
185.13271	12.0
187.11153	3.6
187.14861	9.5
189.16431	17.6
195.11763	3.4
195.13731	2.3
197.13240	9.8
199.14825	6.6
201.12798	5.5
201.16408	4.4
203.17943	3.3
207.11655	2.7
209.13283	4.1
211.14862	7.2
213.12700	4.6
213.16393	5.3
215.14343	4.4
217.15846	2.5
217.45767	2.5
219.13840	5.8
221.15315	3.2
223.16919	5.1
225.12871	2.9
225.16470	4.3
227.14330	4.4
227.17871	2.9
229.15990	2.9
229.19493	2.4
231.13846	6.0
231.17528	6.4
233.15500	2.7
235.17020	4.5
237.18707	3.0
238.41690	2.2
239.18019	2.8
245.15370	4.7
247.17000	3.3
249.16257	2.2
249.18605	9.6
251.17952	2.8
253.16014	2.8
261.18591	4.1
265.15887	2.0
265.19556	2.1
275.20087	3.3
283.20639	2.2
295.24197	6.7
311.23679	5.1
313.25034	11.6
325.21396	5.0
327.23230	5.8
329.24866	7.7
331.26355	31.3
335.26077	3.4
349.21661	2.9
385.23834	2.5
407.29596	4.3
421.31097	3.0
425.30490	8.7
431.29639	15.5
449.30536	30.5
467.31595	43.8
468.31854	5.9
485.32617	8.5
503.27963	10.4
520.27417	9.6
521.28778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.6
55.05515	19.3
57.07077	12.1
58.99622	2.9
64.91132	3.1
67.05503	35.7
69.01643	28.0
69.02046	5.7
69.07060	18.5
71.05010	4.6
76.05131	4.1
76.72176	3.6
79.05487	26.4
81.03432	5.8
81.07055	61.0
83.04977	5.2
83.08618	12.4
91.05485	14.1
93.07058	35.7
95.08610	100.0
97.06557	9.5
97.10189	8.9
99.08101	5.0
103.83356	3.3
105.07026	36.0
105.07587	3.6
107.08598	55.4
109.06538	10.2
109.10161	52.4
111.08095	11.0
113.05979	3.4
113.09626	6.9
115.07568	6.8
117.06982	5.2
119.08562	38.2
121.06569	7.8
121.10149	51.4
123.08083	10.0
123.11715	28.0
125.09657	7.5
131.08578	9.3
133.06416	3.3
133.10129	35.8
135.11690	28.0
137.13257	10.0
138.20369	3.8
141.09132	7.1
145.10146	15.9
147.08051	5.0
147.11639	22.2
147.78848	3.8
149.13297	16.0
151.14827	6.2
157.10155	8.6
159.11707	19.6
161.09653	10.6
161.13246	21.7
163.11247	5.4
163.14886	10.3
165.09103	9.2
169.08673	3.7
171.10197	5.0
171.11606	5.1
173.13272	10.3
175.11159	5.1
175.14859	14.3
177.16397	8.9
179.10678	7.9
184.07352	3.7
187.14803	7.4
189.16412	13.4
193.12195	4.3
199.14900	4.9
203.14313	8.2
203.18004	12.0
205.15819	4.0
213.16405	5.7
217.15871	4.6
219.13863	5.5
227.12633	5.2
231.17419	4.5
235.16986	16.3
249.18605	7.6
253.18015	71.7
267.19452	6.1
315.36295	3.9
332.37030	3.6
375.29062	6.8
425.34030	6.4
433.19226	4.6
435.32623	5.7
457.36761	9.4
467.35403	8.0
485.36292	42.6
486.36691	4.9
503.36957	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39886	0.4
51.47177	0.4
55.05508	1.1
55.16859	0.4
57.07088	2.0
67.05492	1.2
69.07061	1.9
69.35600	0.4
69.78673	1.9
71.08614	0.6
74.09719	100.0
75.10047	1.0
79.05495	1.6
81.07078	2.0
83.04967	0.6
83.08622	0.9
87.15688	0.4
91.05477	1.6
93.02532	0.4
93.07052	2.2
95.08595	1.5
95.54075	0.4
97.10186	0.6
98.22827	1.0
99.34914	0.4
105.07056	2.6
107.08607	1.3
109.06526	0.5
109.10192	0.7
117.07041	0.6
119.08604	2.5
121.10164	1.3
123.08109	1.0
125.06011	1.2
131.08582	1.4
133.10162	1.5
135.08083	1.2
135.11676	0.7
137.06033	0.6
139.07539	0.4
143.08580	0.7
145.10164	2.5
147.08034	1.2
149.09654	0.8
151.07553	1.0
155.10774	0.4
156.09351	0.5
157.10167	1.0
158.23488	0.5
159.08096	0.7
159.11639	2.2
161.09659	0.7
161.13261	0.6
163.11180	2.4
164.11752	0.4
164.94415	0.4
165.09180	1.4
167.07013	5.2
169.10132	0.6
171.11719	0.6
173.09621	0.5
173.13220	0.6
175.11229	1.2
177.09128	0.5
181.12305	1.8
185.13182	0.4
185.89366	0.4
187.11169	0.6
189.12796	0.6
191.10721	0.6
193.10156	0.5
193.12273	1.2
195.04585	0.4
197.50529	0.4
201.12761	1.0
203.14470	0.6
207.13695	0.7
209.13341	0.7
210.21405	0.5
211.15009	0.5
219.13876	1.0
221.15367	2.0
234.16202	1.1
247.17006	1.2
271.16818	0.6
280.35486	0.5
286.89880	0.4
299.20065	0.9
312.20853	1.3
313.21725	1.3
325.21640	1.6
339.23468	0.8
340.23886	3.5
405.01367	0.4
413.26984	0.7
425.26895	2.1
426.27496	0.7
427.28369	2.1
429.33377	3.0
440.29166	7.4
441.29926	0.7
447.35144	0.9
520.35291	5.0
521.36371	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.9
57.07077	1.2
57.15128	0.4
62.95901	0.4
65.03947	0.5
67.05505	1.9
69.07070	2.3
71.08651	0.8
71.55793	0.5
79.05460	1.0
81.03410	0.9
81.07059	2.3
83.04981	1.1
83.08621	1.9
85.10162	0.4
91.05491	1.8
91.91845	0.4
93.07034	1.1
95.04942	0.5
95.08614	1.5
97.06539	0.5
97.10145	0.7
98.10440	0.4
105.03400	1.0
105.07033	1.0
107.08594	0.8
109.10162	0.8
110.17950	0.5
111.11745	0.4
119.08621	0.7
121.10147	1.0
131.08565	0.6
142.59474	0.4
147.07948	0.5
150.91365	0.5
152.06322	0.4
153.06987	0.5
163.11235	0.7
165.05533	1.1
165.06961	1.0
169.06490	0.8
179.08589	1.1
182.07271	0.8
183.04469	0.6
183.08148	1.3
185.05994	0.6
193.12225	1.1
195.00174	0.4
195.07979	1.0
197.06007	1.9
197.09564	0.8
198.06726	2.6
199.07462	0.6
203.36507	0.5
205.10187	0.7
207.08015	1.1
207.11801	0.6
209.11711	0.8
210.06738	2.0
211.03984	0.7
211.07532	3.0
213.05453	1.2
219.08131	1.0
220.08862	1.7
221.09589	0.7
223.07533	0.8
224.04610	0.9
225.05460	1.8
225.09012	2.5
226.06207	1.5
227.06819	0.9
231.08018	0.7
233.09695	0.7
234.06879	0.5
234.10350	0.5
235.07568	1.0
235.11195	3.0
237.08972	0.9
238.06273	1.2
238.44444	0.5
239.07018	2.7
240.07791	1.3
241.04871	5.0
241.08549	0.9
242.05757	0.9
247.07582	0.6
248.08275	3.3
249.08984	2.1
250.09987	0.6
251.03375	1.5
251.07013	1.2
251.10643	0.9
252.04321	0.6
252.07777	1.0
253.04980	1.3
253.08496	2.0
254.05701	1.9
255.06523	6.4
255.10033	0.9
256.07275	7.3
261.09192	0.7
262.09875	0.7
263.06967	1.0
263.10678	4.9
264.07837	0.5
264.11337	1.1
265.04971	1.1
265.08621	2.8
265.12122	1.1
266.05753	0.5
266.09424	0.7
267.06616	1.0
267.10150	1.2
267.13718	0.7
268.07291	1.7
269.04507	2.7
269.07858	2.6
270.05179	0.8
275.06979	0.5
275.10654	0.6
276.07861	1.0
277.08505	2.2
278.09329	2.5
279.06525	0.6
279.10165	1.6
280.07904	0.5
280.10779	2.5
281.04684	1.0
281.08154	1.1
281.11618	0.5
282.05255	0.6
283.06036	9.6
283.09628	2.6
284.06729	3.0
285.04239	0.5
285.07416	1.0
291.06586	1.4
291.10175	4.1
292.07352	0.7
292.10959	1.3
293.08151	2.0
293.11700	5.5
294.12384	1.9
295.06314	0.9
295.09686	1.3
295.13196	5.0
296.06796	2.7
297.07587	4.0
298.04810	0.7
298.08374	0.6
299.05460	1.1
299.09094	0.5
300.06189	3.6
306.08881	1.8
307.09616	3.9
307.13123	0.7
308.07080	0.4
308.10373	1.5
309.07507	0.7
309.10770	0.5
310.08377	3.3
310.11975	1.2
311.09116	5.1
313.07050	3.8
314.07837	40.1
315.08414	4.6
321.11209	14.5
322.11902	4.7
323.09067	2.9
323.12814	5.0
324.09973	0.6
325.10831	0.8
325.14304	5.7
326.07840	1.2
327.08633	4.4
328.09222	1.2
338.11420	3.0
340.09656	1.0
341.10123	7.3
352.13071	2.0
353.13831	47.1
354.14401	3.4
368.12408	0.6
383.14890	100.0
384.15262	8.3
421.10526	0.7
521.15662	2.3
521.30945	0.6
521.37933	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69014	0.6
53.03942	2.1
55.05494	1.2
56.05025	1.3
56.36717	0.7
57.03445	1.0
58.06601	1.1
60.08162	12.6
61.08464	1.0
67.05496	2.5
69.07072	0.9
69.10765	6.8
71.07365	3.8
77.03957	0.8
79.05463	1.1
81.07054	3.5
86.09702	34.9
87.10010	3.6
95.04948	3.8
95.08609	2.6
98.98463	2.3
100.81257	0.8
104.10742	67.6
105.03391	29.2
105.04509	1.7
105.07037	1.4
105.11063	7.4
109.10178	1.0
122.99336	0.8
125.00001	19.0
126.00287	0.8
153.07022	0.9
165.07031	1.6
167.08559	0.8
169.32585	0.8
181.06509	2.5
182.07310	0.9
183.07965	1.1
184.07336	71.3
185.07623	6.7
195.08047	1.6
196.08752	1.0
197.05995	1.5
198.06770	2.9
199.07434	1.1
207.07996	1.7
209.05922	1.6
210.06754	1.9
211.07556	2.5
213.09074	4.0
215.06967	0.9
221.05910	1.2
223.07510	2.4
224.08319	3.1
225.05446	1.9
225.09090	1.7
226.06206	4.0
227.07007	1.6
234.06667	2.0
235.07486	2.7
236.08337	1.4
237.05426	3.1
237.09052	2.1
238.06195	3.0
239.07024	2.5
239.10695	2.2
240.07787	5.8
241.04962	6.1
241.08586	7.2
242.05733	1.6
243.06511	2.0
249.09026	1.3
250.06363	1.3
251.07071	3.5
252.03966	1.5
252.07837	7.3
253.04953	1.3
253.08597	3.9
254.05772	4.7
255.06485	2.7
256.07285	8.9
257.08044	1.2
263.07016	1.4
264.07782	1.4
265.05011	1.7
265.08530	2.8
266.05737	3.4
266.09314	1.6
267.06757	5.3
267.10077	9.2
268.04230	0.7
268.07278	4.5
269.04510	4.2
269.08044	6.9
270.05203	2.9
270.08777	1.2
271.06006	3.1
271.09647	3.6
277.08514	1.5
279.06601	2.6
280.07327	2.4
281.04788	1.0
281.08112	11.5
281.11313	1.4
282.05234	1.8
282.08768	2.6
283.05945	2.7
283.09528	1.8
284.06802	25.6
285.07513	7.4
285.10706	1.3
286.04779	2.9
286.08313	3.0
287.09082	1.0
292.07272	0.9
293.08002	2.7
294.08820	2.2
295.06064	4.7
295.09653	12.8
296.06720	3.2
296.09964	1.8
297.07571	11.5
297.11066	2.0
298.04703	1.5
298.08218	1.0
299.05865	1.6
299.09113	34.4
300.06491	0.9
300.09677	3.6
301.07043	5.6
301.10599	3.6
309.07526	2.4
309.11142	2.5
310.08243	1.7
311.09161	9.3
312.06207	3.5
312.09650	1.6
313.07129	6.8
313.10486	1.4
314.07697	1.3
315.08603	3.4
324.10049	1.4
325.07324	0.9
325.10706	20.4
326.11316	2.3
327.08627	65.4
327.11911	2.7
328.09253	9.2
329.06488	7.6
329.10162	4.8
337.10754	1.3
339.12302	3.0
340.08945	1.1
341.10172	5.8
341.13760	1.5
342.10968	100.0
343.11581	12.2
344.08817	8.5
349.10681	1.4
351.08563	1.7
355.11771	7.0
356.12531	1.9
357.13306	29.6
358.13498	1.4
359.11230	48.0
360.11548	2.8
367.11893	2.6
369.13443	1.0
371.14792	1.5
381.13226	8.3
399.14362	3.5
421.12576	2.2
502.32922	3.0
503.33167	3.1
520.34027	6.5
521.26312	2.4
521.34186	7.7
543.87677	0.9
545.15979	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.6
51.02382	1.6
53.03712	0.7
53.03946	7.0
55.01872	0.6
55.05494	1.0
67.05508	1.1
69.03440	0.5
69.07057	0.8
69.18853	1.3
69.19281	1.5
71.07394	0.4
73.06579	0.5
75.04463	1.5
77.03928	1.6
79.05486	0.9
81.03413	0.5
81.07063	1.2
81.67738	0.3
86.09712	1.9
91.05484	1.2
93.07050	1.7
95.04964	9.1
95.05550	0.5
95.08617	0.4
99.04482	0.7
101.06036	0.8
104.10749	2.6
105.03391	100.0
105.04534	4.8
106.03728	1.8
107.08590	0.9
109.10181	0.7
115.05445	0.4
121.10113	0.6
123.04500	0.5
124.99990	0.7
125.05977	0.7
131.08589	0.7
133.10136	0.6
135.11679	0.6
137.06049	0.5
145.06497	0.7
149.27475	0.3
151.03928	0.3
153.05556	0.5
153.06946	0.3
157.04895	0.3
159.08058	1.1
166.07779	0.4
166.22766	0.4
168.31500	0.3
169.06493	0.5
171.08055	0.4
175.03909	1.1
181.04970	0.7
184.07323	3.0
187.07545	0.8
192.09212	0.5
197.02318	1.6
197.05960	0.5
199.03906	1.3
199.07625	1.0
202.07916	0.4
203.08569	0.5
207.07997	0.4
208.09088	0.3
210.06783	0.4
211.03888	0.9
212.04718	0.7
213.05542	1.5
213.09084	0.4
215.07076	0.8
217.08549	0.5
219.08099	0.4
220.09061	0.4
221.09637	1.2
225.05566	0.7
225.09172	0.6
226.06238	0.6
227.03372	0.9
227.07022	3.5
228.04170	1.2
229.05058	0.9
229.08575	0.5
232.65437	0.4
233.09674	0.8
234.06749	0.5
235.07480	0.6
235.11224	0.5
237.09123	0.9
239.03459	0.5
239.06963	0.7
240.04225	1.0
241.05006	0.8
241.08650	0.9
242.05717	0.9
243.06508	8.6
244.07104	0.5
247.07584	0.5
248.08301	1.0
249.05492	0.8
249.09132	1.6
250.06212	0.8
250.09822	0.6
251.07016	0.8
251.10594	0.5
252.04260	0.6
253.01361	2.6
253.04979	0.8
253.08566	0.6
254.02206	1.0
254.05635	0.4
255.06554	0.5
257.04462	0.6
261.09180	0.6
263.07123	1.1
263.10703	1.5
264.07883	1.0
265.05136	0.4
265.08582	1.9
266.05722	0.5
266.09180	0.5
267.02933	1.9
267.06445	1.0
267.10046	0.5
268.03613	2.1
269.04553	0.5
269.07751	0.4
271.06021	0.7
275.06961	0.6
276.07819	0.8
277.05133	0.4
277.08566	1.7
278.05902	0.4
278.09381	1.1
279.06555	1.0
279.10196	2.8
280.07214	0.6
280.10712	0.7
281.05139	0.5
281.08148	2.4
281.11432	0.7
282.05200	1.8
282.08463	0.3
283.06061	0.6
283.09836	0.6
285.07535	0.7
286.08374	0.6
287.09424	0.5
289.08508	1.0
290.09421	0.6
291.06561	1.3
291.10138	1.9
292.07263	1.5
292.10782	0.6
293.08286	1.8
293.11258	0.5
294.08926	0.6
295.06012	1.1
295.09747	1.9
295.13135	0.7
296.03140	1.5
296.10400	0.6
297.04282	0.6
297.07632	2.8
301.07147	0.5
305.08093	1.1
306.08823	2.9
307.09622	4.0
308.10480	1.4
309.07748	0.5
309.11197	1.0
310.07986	0.6
311.05530	7.1
311.09058	0.8
311.12790	1.5
313.07159	0.6
313.10632	0.4
315.12253	0.4
317.07913	0.7
319.05951	0.7
319.09662	0.6
320.10403	0.4
321.07681	0.3
321.11154	5.9
322.11948	1.0
323.09055	1.3
323.12805	2.3
324.09888	0.8
325.07104	0.9
325.10666	0.5
329.06534	0.9
334.08224	0.8
335.09137	1.0
338.11465	1.4
339.08627	0.6
339.12265	4.0
349.10748	2.0
350.11346	0.7
351.08362	0.7
351.12366	1.1
353.13828	15.9
354.14246	1.0
366.11108	0.6
367.11789	1.4
368.12439	0.5
369.13354	1.7
371.14905	1.7
381.13315	14.6
382.13397	0.5
387.18066	1.8
399.14297	2.0
475.17279	1.0
477.63608	0.4
503.16971	1.1
521.17957	2.8
521.25421	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1809
Annotation	Schisantherin D
Peak:m/z	Relative Intensity
50.01593	0.8
51.02382	1.3
53.03946	7.0
53.81950	0.3
55.01870	0.5
55.05506	1.3
56.05033	1.0
58.06608	0.6
59.67287	0.4
60.08164	7.3
61.08477	0.6
67.05505	2.1
69.03419	0.4
69.07069	1.4
69.30276	3.3
69.71292	0.4
71.07378	4.0
75.04491	0.8
77.03920	1.7
79.05502	1.2
81.03428	0.5
81.07058	1.8
83.04986	1.2
86.09704	37.8
87.09566	0.5
87.10022	3.4
91.05511	0.6
93.07076	0.7
95.04960	7.5
95.08597	0.7
97.06531	8.7
98.98472	5.7
101.06040	0.4
101.34470	0.5
104.10739	3.6
105.03391	93.3
105.04532	4.2
105.11090	0.5
106.03745	1.8
109.10135	0.5
125.00002	27.0
126.00327	1.3
128.06122	0.4
129.06975	0.5
141.05463	0.5
165.06854	0.5
169.06456	0.5
177.09210	0.5
179.08490	0.4
183.07906	0.5
184.07338	100.0
185.06013	0.4
185.07687	10.2
187.03903	0.6
189.01839	0.7
189.05432	0.6
195.08167	0.7
197.06001	0.8
199.07553	0.6
211.07594	1.4
213.05486	2.1
213.09204	0.6
215.03363	0.7
215.06908	0.7
225.05537	0.6
225.09047	0.6
226.06209	0.7
227.03455	0.6
229.04803	0.6
229.08479	0.7
235.07420	0.6
238.06137	0.5
239.06966	1.4
239.10704	0.8
240.04108	0.7
240.07811	0.8
241.04924	1.2
241.08650	0.9
242.05602	1.1
243.02859	0.9
243.06517	1.6
245.04442	0.5
251.06978	1.3
253.05052	0.7
254.09454	0.4
255.06541	1.2
256.03610	1.1
257.04376	0.8
257.08035	1.0
263.06976	0.9
263.10394	0.5
265.08572	1.3
267.06497	1.2
267.10040	0.7
268.07394	0.5
269.04474	1.0
269.07986	0.4
271.06006	1.2
272.06598	0.9
273.03937	1.0
273.07510	0.6
279.06552	1.0
279.10071	1.0
281.11652	0.7
282.08859	1.0
283.05975	1.1
283.09470	0.8
284.06619	0.6
285.04065	0.5
285.07425	1.0
287.05588	1.1
288.06265	0.9
291.06488	0.5
291.10208	0.8
292.10608	0.5
293.08051	0.9
295.06137	0.6
295.09622	1.0
296.07132	0.4
297.07916	0.9
297.11133	0.8
298.07993	0.5
300.06219	0.7
301.06863	1.2
303.08630	8.8
307.09500	0.7
310.08102	0.6
311.09177	1.1
311.12668	0.9
313.07019	1.8
315.08572	1.8
321.11453	0.9
324.09775	0.5
325.10629	0.7
329.13864	0.5
337.27277	1.7
339.12195	1.4
341.10175	1.3
342.10754	0.5
349.10748	1.0
351.08368	0.7
351.12277	0.9
353.13623	0.5
355.11600	1.1
357.13287	0.6
366.11032	0.6
367.11642	1.7
371.14764	0.9
381.13434	4.9
399.14371	2.5
407.11115	1.0
459.28510	2.9
479.17007	5.1
502.32178	0.6
503.27368	1.4
521.17755	15.0
521.27307	5.7
522.18109	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1805
Annotation	Schisantherin D
Peak:m/z	Relative Intensity
50.01582	0.8
51.02374	1.5
51.14919	0.3
52.28360	0.4
53.03942	7.6
55.01869	0.5
59.04980	0.6
67.05524	0.6
69.07075	0.7
73.06575	0.4
75.04459	1.1
77.03922	1.9
79.05475	0.9
81.03419	0.5
87.08062	0.6
91.05476	0.6
93.07054	0.4
95.04967	8.4
95.08619	0.6
96.05324	0.4
99.04443	0.9
105.03387	100.0
105.04528	4.9
106.03712	1.7
109.06486	0.4
111.43388	0.3
119.08576	0.4
129.12813	0.3
131.82559	0.4
133.10201	0.4
153.05461	0.8
159.08043	0.9
161.06041	0.5
167.08527	0.5
170.03615	0.5
174.03163	0.4
175.03891	0.9
181.06474	0.4
183.06654	0.5
187.07541	0.9
193.10188	0.7
197.02269	2.1
197.06140	0.4
197.07985	0.4
198.03041	0.7
199.03894	0.7
199.07550	1.0
200.04686	0.7
201.05423	0.4
209.11642	0.4
211.03961	0.5
212.04724	1.0
213.05408	1.4
215.03342	0.5
215.06932	0.7
217.08542	0.6
220.08765	0.7
221.09665	1.1
223.07578	0.6
225.05453	0.4
226.06274	0.6
227.03477	0.6
227.06958	2.8
228.04150	1.1
229.05032	0.6
235.07494	0.7
236.08490	0.5
237.05327	0.4
237.09084	0.7
239.03320	0.9
239.07077	0.7
240.04321	0.6
241.04996	0.9
241.08606	0.7
243.02774	0.8
243.06529	9.4
243.10255	0.4
244.03551	0.4
244.06895	0.7
247.07425	0.5
248.08302	1.2
249.05486	0.7
249.09071	1.2
251.07063	0.9
251.10933	0.4
252.04085	0.4
253.01277	2.3
253.08615	0.5
254.02118	0.9
255.06619	0.4
263.07010	1.6
263.10745	0.9
264.07822	0.8
265.05103	0.6
265.08627	1.6
266.05731	0.9
267.02908	1.2
267.06503	0.7
267.10309	0.6
268.03653	1.8
269.04410	0.7
270.04999	0.5
271.06470	0.4
275.07184	0.4
276.07764	0.9
277.08566	1.3
278.09421	0.7
279.10147	2.1
280.11029	0.7
281.00696	0.5
281.04874	0.7
281.08112	2.3
281.11166	0.6
282.05258	1.4
282.08743	0.5
283.05881	1.0
283.09567	0.8
289.08603	1.0
290.09402	1.1
291.06561	1.2
291.10175	1.5
292.07352	0.9
293.08081	1.6
294.08755	0.5
295.06113	0.9
295.09695	1.8
295.13089	0.9
296.03110	1.6
296.06537	0.4
297.04382	0.7
297.07495	3.5
298.04803	0.5
299.05261	0.5
301.07043	0.6
305.08099	0.6
306.08856	2.4
307.09613	3.4
308.10486	1.3
309.07785	0.8
309.11151	0.9
310.08347	0.6
311.05463	7.3
311.09103	0.6
311.12863	1.3
312.06143	0.5
313.07040	0.7
317.08124	0.8
321.07507	0.4
321.11136	5.1
322.11902	1.3
323.09149	0.9
323.12772	1.9
325.06949	0.9
325.10645	0.8
329.06528	0.6
334.08395	0.6
335.08969	0.5
338.11578	1.6
339.12210	4.8
349.10696	2.0
350.11224	0.8
351.12445	0.7
353.09424	0.8
353.13806	15.6
354.14236	0.8
366.10977	0.5
367.11783	1.6
368.12457	0.6
369.13293	1.8
371.15033	1.2
381.13306	15.2
382.13760	1.0
395.37158	0.4
399.14493	2.1
475.17725	0.5
503.17065	1.1
521.17957	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69014	0.6
53.03942	2.1
55.05494	1.2
56.05025	1.3
56.36717	0.7
57.03445	1.0
58.06601	1.1
60.08162	12.6
61.08464	1.0
67.05496	2.5
69.07072	0.9
69.10765	6.8
71.07365	3.8
77.03957	0.8
79.05463	1.1
81.07054	3.5
86.09702	34.9
87.10010	3.6
95.04948	3.8
95.08609	2.6
98.98463	2.3
100.81257	0.8
104.10742	67.6
105.03391	29.2
105.04509	1.7
105.07037	1.4
105.11063	7.4
109.10178	1.0
122.99336	0.8
125.00001	19.0
126.00287	0.8
153.07022	0.9
165.07031	1.6
167.08559	0.8
169.32585	0.8
181.06509	2.5
182.07310	0.9
183.07965	1.1
184.07336	71.3
185.07623	6.7
195.08047	1.6
196.08752	1.0
197.05995	1.5
198.06770	2.9
199.07434	1.1
207.07996	1.7
209.05922	1.6
210.06754	1.9
211.07556	2.5
213.09074	4.0
215.06967	0.9
221.05910	1.2
223.07510	2.4
224.08319	3.1
225.05446	1.9
225.09090	1.7
226.06206	4.0
227.07007	1.6
234.06667	2.0
235.07486	2.7
236.08337	1.4
237.05426	3.1
237.09052	2.1
238.06195	3.0
239.07024	2.5
239.10695	2.2
240.07787	5.8
241.04962	6.1
241.08586	7.2
242.05733	1.6
243.06511	2.0
249.09026	1.3
250.06363	1.3
251.07071	3.5
252.03966	1.5
252.07837	7.3
253.04953	1.3
253.08597	3.9
254.05772	4.7
255.06485	2.7
256.07285	8.9
257.08044	1.2
263.07016	1.4
264.07782	1.4
265.05011	1.7
265.08530	2.8
266.05737	3.4
266.09314	1.6
267.06757	5.3
267.10077	9.2
268.04230	0.7
268.07278	4.5
269.04510	4.2
269.08044	6.9
270.05203	2.9
270.08777	1.2
271.06006	3.1
271.09647	3.6
277.08514	1.5
279.06601	2.6
280.07327	2.4
281.04788	1.0
281.08112	11.5
281.11313	1.4
282.05234	1.8
282.08768	2.6
283.05945	2.7
283.09528	1.8
284.06802	25.6
285.07513	7.4
285.10706	1.3
286.04779	2.9
286.08313	3.0
287.09082	1.0
292.07272	0.9
293.08002	2.7
294.08820	2.2
295.06064	4.7
295.09653	12.8
296.06720	3.2
296.09964	1.8
297.07571	11.5
297.11066	2.0
298.04703	1.5
298.08218	1.0
299.05865	1.6
299.09113	34.4
300.06491	0.9
300.09677	3.6
301.07043	5.6
301.10599	3.6
309.07526	2.4
309.11142	2.5
310.08243	1.7
311.09161	9.3
312.06207	3.5
312.09650	1.6
313.07129	6.8
313.10486	1.4
314.07697	1.3
315.08603	3.4
324.10049	1.4
325.07324	0.9
325.10706	20.4
326.11316	2.3
327.08627	65.4
327.11911	2.7
328.09253	9.2
329.06488	7.6
329.10162	4.8
337.10754	1.3
339.12302	3.0
340.08945	1.1
341.10172	5.8
341.13760	1.5
342.10968	100.0
343.11581	12.2
344.08817	8.5
349.10681	1.4
351.08563	1.7
355.11771	7.0
356.12531	1.9
357.13306	29.6
358.13498	1.4
359.11230	48.0
360.11548	2.8
367.11893	2.6
369.13443	1.0
371.14792	1.5
381.13226	8.3
399.14362	3.5
421.12576	2.2
502.32922	3.0
503.33167	3.1
520.34027	6.5
521.26312	2.4
521.34186	7.7
543.87677	0.9
545.15979	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.8
51.02382	1.3
53.03946	7.0
53.81950	0.3
55.01870	0.5
55.05506	1.3
56.05033	1.0
58.06608	0.6
59.67287	0.4
60.08164	7.3
61.08477	0.6
67.05505	2.1
69.03419	0.4
69.07069	1.4
69.30276	3.3
69.71292	0.4
71.07378	4.0
75.04491	0.8
77.03920	1.7
79.05502	1.2
81.03428	0.5
81.07058	1.8
83.04986	1.2
86.09704	37.8
87.09566	0.5
87.10022	3.4
91.05511	0.6
93.07076	0.7
95.04960	7.5
95.08597	0.7
97.06531	8.7
98.98472	5.7
101.06040	0.4
101.34470	0.5
104.10739	3.6
105.03391	93.3
105.04532	4.2
105.11090	0.5
106.03745	1.8
109.10135	0.5
125.00002	27.0
126.00327	1.3
128.06122	0.4
129.06975	0.5
141.05463	0.5
165.06854	0.5
169.06456	0.5
177.09210	0.5
179.08490	0.4
183.07906	0.5
184.07338	100.0
185.06013	0.4
185.07687	10.2
187.03903	0.6
189.01839	0.7
189.05432	0.6
195.08167	0.7
197.06001	0.8
199.07553	0.6
211.07594	1.4
213.05486	2.1
213.09204	0.6
215.03363	0.7
215.06908	0.7
225.05537	0.6
225.09047	0.6
226.06209	0.7
227.03455	0.6
229.04803	0.6
229.08479	0.7
235.07420	0.6
238.06137	0.5
239.06966	1.4
239.10704	0.8
240.04108	0.7
240.07811	0.8
241.04924	1.2
241.08650	0.9
242.05602	1.1
243.02859	0.9
243.06517	1.6
245.04442	0.5
251.06978	1.3
253.05052	0.7
254.09454	0.4
255.06541	1.2
256.03610	1.1
257.04376	0.8
257.08035	1.0
263.06976	0.9
263.10394	0.5
265.08572	1.3
267.06497	1.2
267.10040	0.7
268.07394	0.5
269.04474	1.0
269.07986	0.4
271.06006	1.2
272.06598	0.9
273.03937	1.0
273.07510	0.6
279.06552	1.0
279.10071	1.0
281.11652	0.7
282.08859	1.0
283.05975	1.1
283.09470	0.8
284.06619	0.6
285.04065	0.5
285.07425	1.0
287.05588	1.1
288.06265	0.9
291.06488	0.5
291.10208	0.8
292.10608	0.5
293.08051	0.9
295.06137	0.6
295.09622	1.0
296.07132	0.4
297.07916	0.9
297.11133	0.8
298.07993	0.5
300.06219	0.7
301.06863	1.2
303.08630	8.8
307.09500	0.7
310.08102	0.6
311.09177	1.1
311.12668	0.9
313.07019	1.8
315.08572	1.8
321.11453	0.9
324.09775	0.5
325.10629	0.7
329.13864	0.5
337.27277	1.7
339.12195	1.4
341.10175	1.3
342.10754	0.5
349.10748	1.0
351.08368	0.7
351.12277	0.9
353.13623	0.5
355.11600	1.1
357.13287	0.6
366.11032	0.6
367.11642	1.7
371.14764	0.9
381.13434	4.9
399.14371	2.5
407.11115	1.0
459.28510	2.9
479.17007	5.1
502.32178	0.6
503.27368	1.4
521.17755	15.0
521.27307	5.7
522.18109	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.8
51.02382	1.3
53.03946	7.0
53.81950	0.3
55.01870	0.5
55.05506	1.3
56.05033	1.0
58.06608	0.6
59.67287	0.4
60.08164	7.3
61.08477	0.6
67.05505	2.1
69.03419	0.4
69.07069	1.4
69.30276	3.3
69.71292	0.4
71.07378	4.0
75.04491	0.8
77.03920	1.7
79.05502	1.2
81.03428	0.5
81.07058	1.8
83.04986	1.2
86.09704	37.8
87.09566	0.5
87.10022	3.4
91.05511	0.6
93.07076	0.7
95.04960	7.5
95.08597	0.7
97.06531	8.7
98.98472	5.7
101.06040	0.4
101.34470	0.5
104.10739	3.6
105.03391	93.3
105.04532	4.2
105.11090	0.5
106.03745	1.8
109.10135	0.5
125.00002	27.0
126.00327	1.3
128.06122	0.4
129.06975	0.5
141.05463	0.5
165.06854	0.5
169.06456	0.5
177.09210	0.5
179.08490	0.4
183.07906	0.5
184.07338	100.0
185.06013	0.4
185.07687	10.2
187.03903	0.6
189.01839	0.7
189.05432	0.6
195.08167	0.7
197.06001	0.8
199.07553	0.6
211.07594	1.4
213.05486	2.1
213.09204	0.6
215.03363	0.7
215.06908	0.7
225.05537	0.6
225.09047	0.6
226.06209	0.7
227.03455	0.6
229.04803	0.6
229.08479	0.7
235.07420	0.6
238.06137	0.5
239.06966	1.4
239.10704	0.8
240.04108	0.7
240.07811	0.8
241.04924	1.2
241.08650	0.9
242.05602	1.1
243.02859	0.9
243.06517	1.6
245.04442	0.5
251.06978	1.3
253.05052	0.7
254.09454	0.4
255.06541	1.2
256.03610	1.1
257.04376	0.8
257.08035	1.0
263.06976	0.9
263.10394	0.5
265.08572	1.3
267.06497	1.2
267.10040	0.7
268.07394	0.5
269.04474	1.0
269.07986	0.4
271.06006	1.2
272.06598	0.9
273.03937	1.0
273.07510	0.6
279.06552	1.0
279.10071	1.0
281.11652	0.7
282.08859	1.0
283.05975	1.1
283.09470	0.8
284.06619	0.6
285.04065	0.5
285.07425	1.0
287.05588	1.1
288.06265	0.9
291.06488	0.5
291.10208	0.8
292.10608	0.5
293.08051	0.9
295.06137	0.6
295.09622	1.0
296.07132	0.4
297.07916	0.9
297.11133	0.8
298.07993	0.5
300.06219	0.7
301.06863	1.2
303.08630	8.8
307.09500	0.7
310.08102	0.6
311.09177	1.1
311.12668	0.9
313.07019	1.8
315.08572	1.8
321.11453	0.9
324.09775	0.5
325.10629	0.7
329.13864	0.5
337.27277	1.7
339.12195	1.4
341.10175	1.3
342.10754	0.5
349.10748	1.0
351.08368	0.7
351.12277	0.9
353.13623	0.5
355.11600	1.1
357.13287	0.6
366.11032	0.6
367.11642	1.7
371.14764	0.9
381.13434	4.9
399.14371	2.5
407.11115	1.0
459.28510	2.9
479.17007	5.1
502.32178	0.6
503.27368	1.4
521.17755	15.0
521.27307	5.7
522.18109	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
61.50080	8.4
67.05476	9.6
67.48940	10.6
68.02315	9.4
69.28341	65.7
79.05486	24.1
81.07059	33.3
83.04982	10.6
91.05477	28.5
93.07056	29.2
95.08586	31.9
103.05466	13.4
105.07032	29.6
107.08595	23.0
109.06474	12.3
109.10210	15.3
119.04977	10.1
119.08540	25.9
120.76039	9.8
121.10134	14.5
123.04407	12.9
129.06966	10.8
131.04932	20.0
131.08549	9.7
133.06480	26.4
135.04408	100.0
137.05977	74.8
140.73250	8.4
143.08542	10.8
145.06465	12.4
149.06003	25.9
149.13257	26.3
151.03900	27.6
151.07600	14.6
160.89465	9.6
161.05991	26.4
165.09033	9.6
175.07510	13.2
187.79112	9.2
189.09070	11.6
219.10143	13.3
252.01048	11.0
263.10696	9.3
293.11893	12.9
305.24759	25.3
323.12701	21.1
341.13651	9.0
365.14078	10.5
460.43060	10.1
521.21381	19.6
521.88190	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04167	0.7
59.85551	0.7
67.05492	1.1
69.09483	6.8
74.28424	0.7
94.34631	0.7
100.06197	0.8
105.03411	1.1
107.08603	0.9
165.05481	1.0
197.05984	1.3
225.05490	1.8
225.09019	1.3
227.07036	1.0
229.08337	0.9
233.09494	1.3
235.11290	1.4
239.07156	1.2
240.07819	1.4
247.11319	1.0
251.10698	2.3
253.08759	1.8
254.09451	1.7
255.06590	3.0
256.07230	3.0
257.04581	1.3
257.08105	3.1
261.09061	1.5
263.10641	2.7
264.11548	3.7
265.08691	1.3
267.06711	1.8
267.10123	1.6
268.07559	1.3
268.10834	1.7
269.04556	1.0
269.08054	3.2
270.05173	0.9
270.08939	1.2
271.06097	0.9
271.09491	1.0
272.06808	2.1
276.11154	1.0
279.10172	3.3
279.13571	1.5
280.10947	2.3
281.08099	2.1
281.11673	1.2
282.08652	1.4
283.05963	1.4
283.09622	2.9
284.06830	5.6
284.10104	1.5
285.04352	1.3
285.07529	3.5
287.09097	1.1
291.10110	3.6
292.10843	1.8
293.11578	1.5
295.10345	1.0
295.13187	5.2
296.06750	1.0
297.07587	3.4
298.08334	2.0
299.05908	1.0
299.09113	13.7
300.06235	3.4
300.09610	2.0
301.06937	1.0
306.12460	2.2
307.09656	4.4
307.13293	2.9
308.10376	2.0
309.11179	2.1
309.14627	1.7
310.08417	2.0
310.15601	2.3
311.09167	3.6
311.12534	1.6
312.09894	9.7
313.07336	1.1
313.10464	4.1
315.08609	11.3
316.09360	7.8
321.11145	2.5
322.11932	5.8
323.12711	10.2
324.09802	1.0
325.10663	2.2
325.14325	1.6
326.11420	15.7
326.14954	1.5
327.08807	2.0
327.12216	3.5
328.09421	2.4
329.10062	3.6
330.10944	29.4
331.11542	3.7
336.13565	1.3
337.10672	2.0
337.14267	18.3
338.11328	1.3
338.14972	7.9
339.12094	3.8
340.13016	1.0
341.17352	3.1
342.10925	3.1
343.11819	6.0
353.13821	17.8
354.14401	3.3
356.12549	1.6
357.13309	8.1
367.14969	0.9
368.16193	34.8
369.13129	1.8
369.16977	21.3
370.13263	1.2
370.17410	1.9
384.15668	3.3
399.18008	100.0
400.18338	7.0
421.16235	18.9
422.16687	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
67.05503	1.0
69.07058	0.9
69.09175	1.2
69.09583	2.5
76.14568	0.4
79.05482	1.0
81.07071	1.3
90.67243	0.4
91.05473	0.8
93.07045	0.9
95.08621	0.6
103.32496	0.5
105.03410	1.2
105.07022	1.0
107.08572	1.0
109.10189	0.7
119.08568	0.6
145.10132	0.4
157.10176	0.4
159.08043	0.5
176.06053	0.4
181.08679	0.5
184.07327	0.4
197.05939	0.7
198.06619	0.5
207.07976	0.5
210.06676	0.8
211.07533	0.8
213.05275	0.5
214.06265	1.0
223.07591	0.5
223.11227	0.5
225.05478	1.3
225.09047	0.9
226.06125	0.6
226.09892	0.6
227.07014	1.8
228.07803	0.7
229.04985	0.5
229.08565	1.1
233.09537	1.0
234.10429	0.5
235.11215	0.8
237.09164	0.8
239.07056	1.7
240.07747	1.0
241.05003	1.0
241.08572	1.3
242.05730	0.7
243.06454	0.9
247.07536	0.6
247.11166	0.6
248.08316	0.8
249.09052	1.4
251.07077	0.7
251.10689	1.1
252.07764	0.5
252.11401	0.8
253.04980	0.6
253.08627	1.2
254.06024	0.6
254.09419	1.3
255.06587	3.9
255.10100	1.4
256.07339	2.8
257.04437	0.5
257.08051	2.4
261.09189	0.9
262.09882	0.9
263.10690	2.3
264.07727	0.8
264.11429	2.6
265.08710	1.0
265.12158	1.0
266.05984	0.5
266.09171	0.5
267.06573	1.7
267.09903	0.8
267.13870	0.9
268.07413	1.2
268.11020	1.3
269.04703	0.5
269.05197	0.5
269.08105	3.6
270.05478	0.5
270.08878	1.2
271.06104	1.0
271.09464	0.5
272.06812	2.2
272.09811	0.4
277.08667	1.4
277.12332	1.3
278.09482	0.6
278.13013	1.1
279.07043	0.6
279.10162	4.1
279.13718	2.3
280.07697	0.6
280.10843	2.5
281.08136	2.1
281.11453	0.9
282.08847	1.4
283.06055	1.2
283.09659	1.9
284.06790	3.9
284.09988	0.8
285.04077	1.1
285.07550	3.8
285.11078	1.2
287.09180	1.2
291.10175	2.4
292.10873	2.2
293.08325	0.8
293.11746	2.2
294.09097	0.5
294.12460	1.4
295.06290	0.6
295.09653	1.4
295.13278	4.2
296.06976	0.7
296.10516	1.1
297.07553	2.8
298.08234	1.8
299.05658	0.9
299.09109	11.8
299.12463	0.5
300.06296	3.8
300.09885	1.2
301.07086	1.4
305.11688	1.3
306.09058	0.8
306.12497	3.2
307.09631	3.5
307.13290	3.9
308.10397	2.1
309.11154	1.4
309.14822	2.3
310.12006	0.5
310.15665	1.5
311.09128	3.1
311.12775	1.4
312.09882	8.8
313.07071	1.5
313.10675	3.4
314.07831	0.8
315.08591	9.7
316.09344	5.8
317.09543	0.5
321.11264	1.7
322.11935	4.8
323.12714	8.1
324.09818	0.6
324.13287	0.8
325.10706	1.7
325.14365	2.1
326.11478	11.2
326.14676	0.4
327.08560	1.6
327.12170	2.0
327.15607	0.5
328.09427	1.9
329.10077	3.5
330.10977	25.1
331.11530	3.6
336.13644	0.5
337.10687	1.3
337.14304	16.1
337.18402	0.9
338.11288	0.7
338.14941	6.1
339.12253	3.4
339.15851	1.1
340.12973	1.1
341.10385	0.8
341.17648	2.8
342.11029	2.9
343.11649	5.6
344.12421	1.1
351.15765	0.5
352.13144	0.8
353.13815	10.3
354.14383	3.2
356.12354	0.7
357.13269	7.6
358.13721	1.1
367.15308	1.1
368.16174	27.2
369.16986	27.9
370.17307	1.5
371.14874	0.7
381.17029	0.8
384.15680	3.3
399.18018	100.0
400.18341	6.5
421.16339	2.9
518.14496	0.4
521.31628	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
65.03950	6.9
69.07061	1.5
72.93151	1.1
79.05482	1.5
83.04956	1.2
93.03379	2.5
95.04967	1.8
95.08624	1.3
103.74161	1.3
105.03388	8.4
106.03732	3.0
111.04472	1.9
121.02867	100.0
122.03227	2.9
167.05391	1.3
178.48883	1.2
203.62450	1.4
235.07452	1.6
241.08470	2.1
245.89336	1.4
253.08694	1.7
257.08099	1.5
263.10638	1.9
267.06418	2.5
269.07858	1.6
270.09009	2.0
271.09555	1.4
274.63089	1.2
279.10245	1.9
280.10834	1.5
281.08173	1.9
282.08887	3.1
285.10974	1.5
295.09869	1.9
295.13034	7.2
297.07455	1.9
298.08331	4.1
299.09125	2.2
301.06955	1.4
302.07974	1.4
306.12515	1.9
307.09723	1.6
308.10486	2.6
309.11331	1.9
310.15302	2.0
312.09900	2.4
313.10693	6.4
314.11346	3.2
317.10181	4.3
318.11023	4.7
322.12057	1.7
323.12802	7.8
324.13504	1.8
325.10773	1.8
327.12357	3.5
328.13058	1.8
332.12534	5.4
333.13083	1.6
336.13455	2.1
337.14401	7.3
337.27362	4.1
338.15091	5.0
339.12170	3.6
339.15826	2.1
340.13000	1.8
345.13248	5.6
353.13672	1.7
354.14636	2.6
355.15399	6.5
359.14899	3.3
369.16946	23.5
370.17618	13.1
371.14828	2.0
386.17322	9.0
401.19589	80.8
402.19656	6.7
427.17862	2.4
445.23032	1.5
489.18622	1.9
490.19940	3.1
503.27435	7.0
521.21191	14.5
521.28540	51.0
522.21869	2.3
522.28906	5.3
535.41211	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.1
53.03951	10.2
55.01875	1.1
57.73213	0.8
61.49796	0.9
67.05476	1.7
69.99837	2.6
70.00204	1.2
75.04456	1.1
77.03927	1.9
79.05534	1.1
81.03394	1.0
81.07041	1.0
83.04987	3.3
91.05481	1.4
95.04968	11.5
95.08631	1.1
105.03394	100.0
105.04531	6.3
106.03728	2.7
116.29084	0.9
134.06021	1.6
137.06004	1.4
206.08235	1.6
223.07507	1.0
225.09058	1.4
235.07635	0.9
236.08385	1.2
242.09164	1.1
248.08310	1.1
249.09096	1.2
252.07855	1.0
263.06805	1.0
265.08356	1.3
265.12354	1.1
266.09366	2.9
267.10141	2.3
269.08078	1.7
277.08652	1.4
278.09409	3.6
279.10135	2.2
281.08112	5.4
281.11227	1.0
282.12540	1.3
284.10330	1.9
291.10315	1.1
292.10770	1.4
293.11725	5.1
294.08884	3.1
295.09680	3.3
296.10306	6.1
297.07632	1.3
297.10733	1.0
299.12744	1.4
305.08163	1.5
305.11496	1.0
306.08844	2.4
308.14026	1.1
309.08096	1.3
309.11182	5.9
309.14386	1.3
310.11813	2.8
311.12582	1.3
312.09933	1.5
313.10675	6.3
320.10178	1.1
321.11182	12.1
322.11926	1.4
323.09076	1.9
325.14499	4.3
327.12195	5.7
328.13055	5.8
329.10422	1.3
335.12729	2.8
336.13556	26.6
337.10654	9.7
337.14230	3.1
338.11237	1.6
339.12271	2.3
339.15988	3.1
341.13815	2.0
342.14664	1.5
344.12738	1.2
352.13068	14.3
353.13745	6.1
355.11673	2.4
359.14886	13.5
367.15381	12.5
368.16119	11.2
371.18567	2.8
373.16608	3.6
384.15482	1.3
399.18082	17.0
429.23471	1.0
433.66138	1.0
486.35593	3.6
503.27759	1.5
521.28638	14.3
522.37885	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13380	0.9
55.05508	1.3
65.03938	9.8
65.26357	0.9
67.05511	2.5
69.07049	1.9
71.31380	1.1
73.06510	1.0
79.05512	2.1
81.07062	2.4
93.03401	2.3
93.07027	1.3
95.08655	1.3
99.37048	0.9
105.03407	3.6
109.10151	1.4
111.04430	0.9
121.02864	100.0
121.03893	3.1
122.03224	2.4
133.10217	1.3
197.08740	0.9
225.09137	1.0
228.10344	0.9
233.09721	1.0
237.08961	0.9
239.06995	2.1
241.08591	1.2
243.06503	1.3
251.10814	2.0
253.08643	2.4
254.09450	0.9
255.06485	1.8
257.07831	0.9
263.10794	1.7
264.11420	1.0
265.08655	1.6
267.06396	2.6
267.10327	1.1
269.08310	1.5
270.08868	2.4
271.06137	0.9
271.09634	1.1
277.12482	1.0
279.10223	2.7
280.11234	1.1
281.07996	2.6
282.08984	1.9
283.06021	1.1
283.09476	0.9
285.07913	1.2
285.11377	0.9
291.09982	1.0
293.11902	1.3
294.12396	1.9
295.06104	1.2
295.09756	1.8
295.13297	5.9
296.10434	2.9
296.13708	1.1
298.08362	4.1
299.09085	3.4
301.07202	1.9
301.10837	1.2
302.07895	1.2
303.08633	1.4
306.12668	2.1
307.09772	1.3
308.10449	2.5
309.11322	1.8
309.14868	3.0
310.15668	3.0
311.09354	1.0
311.12820	2.3
312.10080	2.2
313.10605	6.4
314.11557	2.0
315.08746	1.4
317.10278	4.5
318.10989	4.3
321.11093	1.7
322.12015	1.4
323.12759	9.1
324.13480	2.0
325.10800	3.1
326.15027	1.3
327.08762	1.3
327.12247	3.5
327.15723	1.0
328.13055	2.3
330.11008	1.3
331.11783	1.8
332.12521	5.4
333.13287	1.7
337.14377	7.2
337.27393	2.8
338.15134	4.9
339.12289	3.7
339.15948	1.7
340.13019	1.7
341.10184	2.3
341.17566	2.4
342.11060	1.8
345.13489	5.4
354.14490	2.4
355.15381	7.1
357.13559	1.1
359.10944	1.4
359.14871	4.4
369.16943	21.9
369.21417	1.5
370.17670	16.4
371.11060	2.4
371.15021	2.7
371.18866	1.6
372.15308	1.1
385.12741	1.4
386.17120	6.2
399.14453	2.3
401.19580	84.1
402.19864	6.1
405.09589	1.1
419.11191	1.3
421.12634	1.6
427.17426	2.5
445.23605	5.9
446.05527	1.0
457.16589	1.1
489.18967	2.1
490.19821	2.3
503.20453	1.4
503.27563	10.5
521.21582	9.0
521.28662	40.9
522.28937	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.6
51.02192	0.2
51.02381	1.9
53.03947	8.8
55.01875	0.5
55.05510	0.3
67.05491	1.0
71.31041	0.4
77.03915	1.7
81.03420	1.1
81.07054	0.6
91.05443	0.3
93.06994	0.4
95.04970	8.9
95.08625	0.5
105.03391	100.0
105.04534	4.6
106.03716	3.1
109.10128	0.7
119.08553	0.4
131.08624	0.3
133.10046	0.3
137.39255	0.3
196.08823	0.3
197.05859	0.3
207.47079	0.3
210.06573	0.3
227.06911	0.7
239.07060	0.6
242.09393	0.3
255.06575	1.5
256.07269	0.5
257.08099	0.3
265.08496	0.4
267.06467	0.3
269.08038	0.7
270.08862	1.2
271.09433	0.4
275.19962	0.5
283.06259	0.3
284.07108	0.3
285.08023	0.4
285.11038	1.5
286.11972	0.4
287.09045	0.7
297.07541	1.2
298.08228	0.5
299.09125	1.5
300.06442	0.4
300.09674	0.5
313.10568	1.1
314.11374	1.8
315.08582	2.4
316.09146	0.3
330.07248	0.5
330.10843	3.3
331.11539	0.4
334.44653	0.4
339.16168	0.4
345.13324	15.2
346.13718	1.0
353.13995	0.6
355.12167	0.3
367.14996	0.5
368.16278	1.8
371.18314	0.4
399.18085	3.4
400.18375	0.3
418.14069	1.2
419.14630	0.3
436.15201	1.1
443.18637	0.4
449.16010	3.9
503.27414	0.8
521.28668	6.7
521.35712	0.3
522.28815	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.01877	4.8
55.05509	4.0
59.04998	0.9
63.63327	0.9
65.03944	1.4
67.05503	4.5
68.99789	5.5
69.03425	8.1
69.07060	1.3
71.01375	1.1
71.04993	2.0
79.05491	15.7
81.03426	1.5
81.07058	45.7
82.07349	1.1
83.04980	8.8
84.05311	1.3
91.05482	14.8
93.07044	9.1
93.66926	0.8
93.67522	1.1
94.33058	0.9
95.04971	4.4
95.08611	5.3
97.02901	5.4
97.06523	1.6
99.04444	8.0
103.05467	3.1
105.03383	3.0
105.07013	10.8
107.04951	2.9
107.08582	3.2
109.02908	3.0
109.06517	26.1
109.10126	1.1
111.04430	1.8
111.08073	2.6
115.05462	13.4
116.06258	2.0
117.07011	13.1
119.04967	1.3
119.08617	3.7
121.06511	6.3
123.04427	1.3
123.08067	19.0
125.05994	1.4
128.06221	34.3
129.07010	25.0
131.04919	4.3
131.08568	8.0
132.05722	3.3
133.06502	7.8
133.10095	1.2
135.04401	5.4
135.08038	5.5
137.05974	38.7
137.07036	2.0
138.06274	1.2
141.06975	11.3
142.07787	15.1
143.04926	1.7
143.08557	40.8
144.05692	1.3
144.09338	1.3
145.06480	15.8
145.10135	3.7
146.07129	1.2
147.04410	1.5
147.08031	6.5
149.05960	13.5
149.09486	1.2
151.07553	16.4
152.06238	3.5
153.07001	7.1
154.07829	5.7
155.06052	3.3
155.08575	14.5
157.06496	6.6
157.10124	24.0
158.07304	1.9
158.10506	1.7
159.08046	7.3
159.11653	1.2
161.06015	4.1
161.09663	1.8
163.07529	11.4
165.06982	9.3
165.09055	2.2
166.07727	3.6
167.07141	1.8
167.08580	10.5
168.09271	2.2
169.06407	6.8
169.10129	4.5
170.07275	10.7
171.08047	100.0
172.08560	6.1
173.06010	2.9
173.09587	6.8
175.07564	9.0
177.05475	5.5
177.09109	2.5
178.07701	4.7
179.07050	2.4
179.08563	9.1
180.09314	3.2
181.06479	4.4
181.10152	4.2
182.07262	4.0
182.10820	1.1
183.08034	19.3
183.09602	1.6
183.11691	1.6
184.08829	5.5
185.06065	1.9
185.09613	57.4
186.10039	2.8
187.07590	3.2
187.11127	1.7
189.07111	2.1
189.09128	3.0
190.07774	5.0
191.06989	4.0
191.08583	6.9
192.09341	5.8
192.75478	1.0
193.06679	1.3
193.08565	5.1
193.10165	7.2
194.07246	1.5
194.10812	2.0
195.06464	1.9
195.08038	9.3
195.11688	4.0
196.08832	5.8
197.05988	1.6
197.09656	6.5
198.06749	1.9
198.78464	0.9
199.07533	4.3
201.09119	4.1
202.07779	6.1
203.08586	13.0
203.10506	1.5
204.09337	9.9
205.06474	2.2
205.10126	12.5
206.07243	2.4
206.10800	3.3
207.08057	7.1
207.11664	6.3
208.08914	4.1
209.09615	8.8
209.13174	2.0
210.10265	1.6
211.07477	3.5
211.11195	2.5
213.09096	8.8
214.09883	1.3
215.06845	1.2
215.08588	5.8
215.10442	2.0
216.09447	4.7
217.06555	1.1
217.10150	11.0
218.07286	2.3
218.10915	5.3
219.08136	8.0
219.11682	12.9
220.08763	7.3
220.12268	2.3
221.09682	14.5
221.13248	3.1
222.10364	4.7
223.07542	2.9
223.11127	7.5
223.14636	1.1
224.11713	1.5
225.09106	4.0
225.12482	1.1
227.08629	2.0
227.10640	2.2
228.09335	3.2
229.10201	8.9
230.10934	6.4
231.08015	4.1
231.11763	7.8
232.08826	8.0
232.12411	3.4
233.09604	11.0
233.13126	6.5
234.10336	4.0
235.07549	3.2
235.11172	10.1
236.08322	2.0
236.11919	3.2
237.09084	4.2
237.12752	7.5
239.10712	2.3
241.10120	3.2
241.12279	1.8
242.10832	8.8
243.11794	8.0
244.08797	2.4
244.12379	2.2
245.09641	9.4
245.13235	5.5
246.10371	23.0
246.13924	1.7
247.07466	1.9
247.08606	1.3
247.11172	19.0
247.14815	7.9
248.08318	2.2
248.11842	5.3
248.15536	1.6
249.09050	5.1
249.12724	6.9
249.16443	2.4
250.09851	3.2
250.13542	1.2
251.10669	7.6
251.13023	1.1
251.14270	1.4
255.08167	1.2
255.11671	2.2
256.08813	1.6
256.12518	3.9
257.09454	2.2
257.10693	1.1
257.13242	11.3
258.10550	2.1
258.14005	4.1
259.11179	15.7
259.14862	1.5
260.11874	8.4
261.09094	3.9
261.12759	13.2
262.09842	2.6
262.13251	1.9
263.10684	9.5
263.14236	5.6
264.11313	3.1
265.09119	1.3
265.12192	7.6
265.15759	1.9
267.10114	1.5
269.09256	1.7
269.11761	9.3
270.10391	3.4
271.11246	3.7
271.14755	5.4
272.08456	1.3
272.11893	3.0
273.08987	2.1
273.12735	7.2
273.16116	2.3
274.10269	0.9
274.13559	5.8
275.10757	5.1
275.14258	31.6
276.11435	1.5
276.14850	3.9
277.09250	1.6
277.12537	8.0
277.15582	8.4
278.12912	2.8
278.15976	1.3
279.10327	2.0
279.13885	3.1
281.11444	4.6
283.13596	1.8
284.11975	2.5
285.12683	7.8
286.10147	1.4
286.13470	5.1
287.10699	6.2
287.14291	5.5
288.11392	4.5
289.09000	1.7
289.12256	7.9
289.15869	4.2
290.09500	1.7
290.16302	1.4
291.10251	1.9
291.13858	3.1
291.17447	2.7
292.10757	1.4
293.11795	4.4
293.15414	3.8
295.13504	1.1
297.11685	1.3
299.14383	4.7
300.11447	1.3
300.14871	1.4
301.12137	2.6
301.15564	1.5
302.13104	2.3
303.10315	2.2
303.13669	12.3
304.14386	2.2
305.11740	13.4
305.15350	3.4
306.12454	6.8
307.13376	10.8
307.16876	1.9
311.12848	4.1
313.12155	1.5
315.13733	2.0
317.15344	14.6
318.15939	2.8
319.13272	2.3
319.16956	3.6
321.14917	4.0
323.12762	2.4
323.16629	1.1
325.14352	1.6
327.13638	2.9
329.15247	1.6
330.12473	1.0
331.13281	3.3
333.14804	10.4
335.16342	9.7
343.13376	1.6
345.11230	1.8
345.14868	15.2
346.15472	2.7
351.15915	3.1
355.16913	3.0
359.16516	1.8
361.14462	1.4
363.15897	12.7
373.14374	1.0
373.18069	9.9
374.18533	1.2
375.19733	5.2
381.16846	1.4
383.16284	4.7
385.14426	1.6
387.15714	5.1
391.19101	3.4
397.17926	3.1
401.17450	51.6
402.18149	6.1
403.15359	2.2
415.19058	7.4
417.20547	23.4
418.21072	1.5
419.18915	5.7
425.17334	3.9
433.19992	4.1
443.18533	17.2
444.18954	1.9
459.28604	1.5
461.19559	88.5
462.19748	8.4
463.24368	8.2
477.22672	3.0
479.20438	5.0
503.20508	3.5
503.27573	9.2
504.28030	1.8
521.21503	26.2
521.28583	64.5
522.22534	1.8
522.28998	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01885	0.6
57.03381	0.3
65.03944	0.5
66.04721	0.5
69.48930	1.3
74.42790	0.3
79.05478	1.1
81.07071	0.5
91.05453	2.5
93.07035	0.3
94.04193	3.8
95.04967	0.4
98.22682	0.6
102.59859	0.4
102.77037	0.3
103.05458	1.4
105.07024	0.6
106.24773	0.3
107.04961	2.7
109.06523	1.0
115.05476	0.6
117.07018	0.5
119.04940	1.3
121.06517	1.2
122.03648	8.0
123.04478	0.4
129.06990	1.1
130.06516	1.1
131.04918	1.6
131.08548	0.4
135.08046	0.4
137.05978	100.0
138.06313	2.8
141.06998	0.6
143.04880	0.4
144.08070	0.8
145.06430	0.4
147.04381	1.0
148.05124	0.4
149.05960	1.2
151.03902	1.1
151.07532	6.3
156.08066	1.5
157.06516	0.4
159.08043	0.5
160.05261	0.8
161.06009	1.8
163.07518	2.6
165.06996	0.7
165.09134	0.7
171.07979	0.4
175.07567	3.8
177.05457	0.5
177.07045	0.3
177.09047	0.4
179.07039	3.7
181.08582	1.9
186.09096	0.3
187.07538	1.0
189.09128	1.2
191.07098	0.4
195.10114	0.6
201.09143	1.1
203.08466	0.4
205.06635	0.4
205.08667	0.5
207.10159	0.6
211.07547	0.5
217.08655	0.5
218.07480	0.5
218.09639	1.4
219.08165	0.6
219.10091	1.9
225.09077	0.5
231.07965	0.4
235.07579	0.6
237.09134	0.7
240.07835	0.8
246.06778	0.5
247.07542	0.5
247.09816	0.4
249.09007	0.7
251.06970	0.5
253.04747	0.4
253.08649	0.8
259.09766	1.3
260.08344	0.5
261.09161	1.4
263.07138	0.9
264.07837	0.6
265.08582	1.6
265.11011	0.3
266.11673	0.6
268.07330	2.2
271.07501	0.5
273.08914	0.6
275.10626	0.4
276.07843	0.6
277.08566	1.9
278.09131	0.7
278.11819	1.2
279.06836	0.4
279.10120	0.9
280.13376	1.1
282.08810	0.4
283.09610	4.0
284.10141	0.7
285.11426	0.8
286.09747	0.6
287.10519	0.4
289.08673	2.3
291.10172	1.1
292.13464	0.4
295.09564	1.0
297.11334	2.6
301.08771	0.5
301.12018	0.7
302.09491	0.6
303.10114	0.9
305.11496	0.5
306.14871	0.5
307.09647	1.0
309.11304	1.9
311.12646	0.5
312.57843	0.4
314.09372	1.2
315.12512	0.5
317.08383	0.4
317.11737	1.2
319.09796	0.9
320.10480	0.4
321.11179	3.0
322.11615	0.8
322.14713	0.5
323.12793	0.8
329.11819	1.3
331.09387	0.5
332.10181	0.5
333.11194	0.8
334.12027	0.6
335.12750	1.1
339.12259	1.3
340.13092	2.0
341.13712	0.6
346.12088	0.5
347.12833	1.4
348.13181	0.9
349.14383	1.4
350.14078	0.4
353.13959	0.7
361.14563	1.8
365.13815	0.5
366.14758	0.5
367.15454	3.2
379.15359	2.9
397.16391	1.1
399.11942	0.4
431.14917	0.8
442.19522	0.3
453.17197	1.0
468.21292	0.6
471.17847	0.6
473.19791	0.7
485.19608	2.6
486.22647	1.2
491.21060	0.4
503.20636	6.6
504.23926	1.5
521.14648	0.6
521.21649	6.4
522.22467	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.3
65.03931	0.4
66.04720	0.9
67.05527	0.3
73.21935	0.2
78.87782	0.2
79.05489	1.0
81.07030	0.6
85.02917	0.3
91.05492	2.2
93.07050	0.2
94.04197	3.9
95.04989	0.4
97.75527	0.2
103.05475	1.0
105.07043	0.6
106.39429	0.2
107.04942	0.9
108.05732	0.4
109.06506	0.8
111.04406	0.3
112.03626	0.3
115.05499	0.3
117.07038	0.5
119.04933	1.0
121.06533	0.4
122.03652	8.4
123.08054	0.3
129.07004	0.5
131.04936	1.0
131.08565	0.6
133.06506	0.4
135.04422	0.4
136.05280	0.3
137.05981	100.0
138.06329	2.5
141.07030	0.5
145.06509	0.7
147.04424	0.5
151.03934	0.6
151.07559	5.4
157.06540	0.5
158.07317	0.3
159.08049	0.4
160.05247	0.8
161.06000	1.3
163.07538	1.9
165.07039	0.4
167.07108	0.3
167.08566	0.5
167.51744	0.3
168.05762	0.3
171.08046	0.3
174.06760	0.4
175.07541	4.0
179.07040	4.5
179.08472	0.4
181.06499	0.3
187.07571	0.8
189.09125	0.9
191.10678	0.5
195.08095	0.4
199.07597	0.4
201.09126	1.3
205.06607	0.3
205.08595	0.5
210.06696	0.3
211.07629	0.6
213.09158	0.6
219.10234	0.8
222.06834	0.4
225.05556	0.3
225.09126	1.0
231.08110	0.6
235.07570	0.4
237.09111	0.4
240.07809	0.6
241.08354	0.4
243.08139	0.4
247.07487	0.3
251.07095	0.4
253.04837	0.6
253.08620	0.7
257.09677	0.6
259.07504	0.6
259.09760	1.1
261.09033	0.4
262.09888	0.4
265.08627	1.0
268.07242	2.4
269.09772	0.5
270.74072	0.3
271.07410	0.6
272.08334	0.4
273.08936	0.5
274.10010	0.3
275.10577	0.5
276.07803	0.4
277.08585	0.8
279.10135	0.4
283.09668	5.3
284.10291	0.6
285.08731	0.4
285.11472	0.7
286.09937	0.4
287.07019	0.3
287.10529	0.5
288.07709	0.3
289.08664	0.6
289.12112	0.4
290.09302	0.3
291.10211	0.8
295.09818	0.4
296.10617	0.3
297.08313	0.3
297.11551	1.4
298.10394	0.3
299.10504	0.3
301.08655	0.8
301.12042	0.6
302.09448	0.6
303.10135	1.0
304.10974	0.3
305.08209	0.5
305.11722	0.5
307.09717	0.5
309.11160	1.1
314.09247	1.3
316.10651	0.4
317.11795	1.3
319.09607	0.3
321.11172	0.6
323.12759	0.6
329.11771	1.5
331.09457	0.4
332.10431	0.5
333.11118	1.6
335.12830	0.8
336.13583	0.3
341.13837	0.4
346.11981	0.6
347.12903	1.6
348.13348	0.7
349.14334	1.6
351.12198	0.5
351.16241	0.4
353.13745	0.7
361.14514	2.3
362.14389	0.3
365.13852	1.1
366.14664	0.5
367.15448	1.5
369.17084	0.4
379.15375	3.7
397.16495	0.9
399.12265	0.4
406.12201	0.3
431.14987	0.9
433.16550	0.3
453.17108	0.9
471.17990	0.6
473.19504	0.8
485.19534	2.8
486.20139	0.3
491.20697	0.3
493.55478	0.3
503.20654	8.7
504.21121	0.5
521.21692	7.5
522.21997	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.25535	1.2
64.84155	1.1
65.03944	1.7
65.94621	1.1
67.05494	1.4
69.03422	2.8
71.15771	1.7
79.05498	4.0
81.07060	1.5
85.02915	1.4
91.05481	8.9
94.04184	4.2
95.04991	1.7
95.08634	1.6
98.55917	1.4
103.05457	12.0
105.07046	4.2
107.04961	8.8
107.08598	1.7
109.06522	1.7
115.05463	2.6
117.07030	2.6
119.04952	6.8
119.08621	1.2
121.06490	2.5
122.03603	7.9
128.06236	2.0
129.07001	3.4
131.04924	17.4
131.08554	2.2
133.06435	2.3
135.08038	2.5
137.05980	100.0
138.06332	2.1
145.06511	3.7
146.03622	1.6
146.07298	1.4
147.04445	2.7
147.07979	2.9
149.06027	5.8
151.03955	2.9
151.07527	14.7
157.06476	1.9
160.05138	1.4
161.05983	43.8
161.09604	8.1
162.06569	1.6
163.07536	38.2
163.73357	1.3
164.21712	1.2
164.27913	1.2
165.07050	1.5
167.07042	1.6
169.06590	1.4
173.06094	1.4
175.07556	20.5
177.09077	3.2
179.07153	2.1
181.19904	1.2
185.05919	2.5
187.07555	6.0
189.09120	19.4
191.07079	2.7
194.07336	1.8
195.10191	1.5
199.07550	2.9
201.09155	4.0
205.06616	2.4
205.08490	2.0
207.08141	2.4
207.10146	23.4
210.06735	1.6
210.15840	1.4
213.09038	2.7
217.90524	1.4
219.08087	2.9
219.10173	5.2
222.06804	1.9
225.09114	3.1
231.08083	1.5
231.10100	2.0
234.06857	1.7
235.07465	2.4
237.05719	1.4
237.09038	2.8
243.10158	2.8
247.07646	1.8
248.08307	2.8
251.10696	1.6
253.08575	2.8
261.09048	2.0
263.10596	1.9
265.08655	5.1
267.10077	2.8
269.08017	1.6
274.09595	1.5
275.06909	1.8
275.11102	1.4
276.07956	1.9
277.08688	2.7
279.10223	2.9
283.09653	3.8
285.11334	1.7
289.08633	4.0
290.09338	2.0
291.09982	5.9
294.08984	1.9
295.09641	5.3
297.11465	5.9
303.09985	1.9
305.08279	1.6
306.08871	2.0
307.09592	3.9
309.11215	7.6
310.12088	2.7
311.12784	3.1
313.14185	1.9
315.12418	2.8
317.11673	3.0
321.11188	6.8
322.12134	1.3
323.12808	7.7
333.06006	2.2
334.11987	1.8
335.12793	2.4
337.14612	1.8
341.13797	13.9
349.14255	7.2
353.13876	2.2
355.15479	6.4
367.15524	12.2
379.15466	6.8
397.16302	3.1
447.18204	1.6
459.18051	2.5
471.17410	1.4
477.18802	1.8
491.20459	4.9
503.20688	3.8
521.22852	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	8.5
62.10084	6.2
67.05512	6.6
69.03442	12.5
69.39616	14.5
69.40022	24.9
73.02921	8.3
79.05511	8.8
80.67982	6.3
81.07040	12.5
83.04996	26.5
83.08624	6.6
83.18773	5.2
85.02888	13.8
91.05475	10.5
93.07056	10.1
95.04978	10.2
95.08608	12.9
95.56534	5.4
97.02924	7.9
105.07065	11.0
107.08577	47.1
109.10178	9.9
111.08089	8.2
111.27337	5.6
112.58479	5.8
119.08637	9.0
121.10155	13.4
127.03965	7.1
131.08580	6.7
133.10092	34.8
135.07970	6.2
135.11734	7.1
137.06003	24.9
139.03926	12.0
143.31319	6.0
147.11723	8.6
149.13280	6.8
151.03920	13.4
151.11185	12.9
153.05432	7.9
153.09142	17.1
156.80879	5.6
163.14845	6.7
173.13272	16.8
175.07608	10.0
191.14294	100.0
209.15367	27.0
227.08960	41.9
227.16466	15.6
260.36475	5.7
275.40955	6.0
317.08362	45.5
355.63635	6.2
451.02768	6.3
475.28876	6.6
521.17993	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2593
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
55.05510	8.5
62.10084	6.2
67.05512	6.6
69.03442	12.5
69.39616	14.5
69.40022	24.9
73.02921	8.3
79.05511	8.8
80.67982	6.3
81.07040	12.5
83.04996	26.5
83.08624	6.6
83.18773	5.2
85.02888	13.8
91.05475	10.5
93.07056	10.1
95.04978	10.2
95.08608	12.9
95.56534	5.4
97.02924	7.9
105.07065	11.0
107.08577	47.1
109.10178	9.9
111.08089	8.2
111.27337	5.6
112.58479	5.8
119.08637	9.0
121.10155	13.4
127.03965	7.1
131.08580	6.7
133.10092	34.8
135.07970	6.2
135.11734	7.1
137.06003	24.9
139.03926	12.0
143.31319	6.0
147.11723	8.6
149.13280	6.8
151.03920	13.4
151.11185	12.9
153.05432	7.9
153.09142	17.1
156.80879	5.6
163.14845	6.7
173.13272	16.8
175.07608	10.0
191.14294	100.0
209.15367	27.0
227.08960	41.9
227.16466	15.6
260.36475	5.7
275.40955	6.0
317.08362	45.5
355.63635	6.2
451.02768	6.3
475.28876	6.6
521.17993	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2668
Annotation	Purmorphamine
Peak:m/z	Relative Intensity
54.18608	0.5
63.82515	0.6
69.15223	0.5
69.16669	4.0
81.07046	0.7
86.09693	0.8
95.04988	0.9
104.10756	0.7
105.03406	5.1
106.03720	1.6
125.00006	0.6
151.07584	1.1
184.07367	1.9
185.07793	0.6
211.86339	0.6
224.82634	0.7
293.11792	0.7
321.11270	0.9
327.22806	1.9
353.13840	1.7
368.11789	0.9
369.12473	1.0
383.14899	1.6
421.10541	1.6
521.26630	100.0
522.26978	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01871	2.2
55.05508	17.2
67.05508	12.4
69.03435	7.0
69.07073	3.6
71.04998	3.6
79.05493	17.0
81.03461	3.7
81.07056	33.3
83.04983	46.6
83.08627	12.6
84.14648	2.1
85.02911	2.7
91.05492	27.6
93.07044	17.5
95.04981	16.7
95.08609	10.8
97.02898	8.8
97.06535	8.7
98.23477	2.9
99.04445	10.1
105.07020	20.3
107.04974	4.4
107.08587	20.3
109.06528	25.5
109.10168	5.0
111.04460	5.8
111.08096	13.1
115.05467	3.5
117.07044	14.0
119.04916	3.7
119.08569	18.8
120.21138	2.4
121.06504	10.5
121.10153	8.3
123.04428	6.9
123.08071	47.0
125.05998	6.1
125.09605	3.8
127.03942	3.5
128.06190	5.0
129.07048	9.0
130.07803	5.0
131.08585	13.1
133.06511	5.4
133.10107	10.3
135.08058	15.9
135.11728	4.5
137.05974	44.6
137.09639	6.2
139.07562	9.8
141.06993	5.9
142.07779	8.3
143.08537	15.1
145.06493	18.0
145.10107	18.8
147.08032	13.4
147.11710	4.6
149.05960	7.2
149.09618	12.1
150.09126	2.1
151.03951	5.4
151.07527	6.4
153.07011	3.3
153.09097	3.7
154.07803	5.2
155.08533	13.6
157.10147	19.4
159.08087	10.0
159.11705	16.6
161.09630	13.4
161.13213	4.1
163.07556	15.3
163.11214	6.3
165.07037	2.6
165.09145	3.0
167.07082	24.6
167.08443	3.4
169.08688	3.9
169.10136	52.7
171.08073	4.9
171.11736	8.0
173.05992	4.6
173.09657	9.1
173.13228	4.0
175.11185	6.1
177.09126	4.8
179.08527	5.3
181.08653	3.6
181.10187	6.2
183.08131	3.1
183.11714	8.2
185.09665	7.6
185.13319	6.3
186.10403	5.0
187.11220	19.3
189.09119	3.5
189.12753	4.5
191.10703	3.9
193.10136	4.2
194.10968	4.0
195.10133	3.2
195.11665	10.4
196.08891	3.2
197.09526	4.9
197.13301	3.8
199.07491	2.2
199.11235	5.9
201.09128	4.5
201.12758	7.5
203.10617	4.6
203.14221	2.5
205.10353	3.3
205.12242	3.4
207.11737	8.8
209.07993	2.9
209.09749	4.6
209.13316	7.3
211.11200	5.8
213.12798	6.1
215.10683	4.4
215.14363	3.4
217.10280	2.6
217.12239	4.6
219.11922	3.6
223.11237	2.9
223.14842	4.5
225.12689	5.7
227.10725	2.9
227.14203	5.2
229.12326	5.3
231.13821	3.2
235.14946	3.1
237.12906	2.6
237.16382	3.6
239.14293	4.6
241.12048	2.3
249.12674	2.8
251.14371	4.0
265.10690	37.5
265.15961	2.7
267.13467	2.9
275.14380	5.4
305.19168	3.0
311.16534	3.5
323.20007	4.4
351.19580	4.7
357.16870	4.2
369.20578	3.6
399.21561	5.4
407.21976	3.5
417.19226	4.7
421.23737	8.1
425.23001	3.3
427.21262	2.9
429.19113	6.4
431.22113	8.2
439.24759	7.2
449.23230	32.9
450.23694	3.9
461.19888	3.8
467.24304	100.0
468.24533	7.7
485.25317	36.7
486.25690	2.6
503.26443	3.4
521.30249	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35426	0.3
57.41982	0.2
57.84620	0.3
61.14860	0.2
75.58005	0.3
118.90785	0.2
179.33282	0.3
197.98207	0.3
229.27834	0.5
367.18787	12.4
368.19189	0.9
413.24799	0.4
441.27832	0.6
459.28751	2.6
477.29620	1.3
485.26511	0.5
503.27689	9.2
504.28134	0.8
521.28735	100.0
522.29083	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2873
Annotation	3-Libocedroxythymoquinone
Peak:m/z	Relative Intensity
54.50089	0.3
57.69104	0.3
70.94157	0.3
83.04993	0.4
90.09661	0.3
99.61820	0.3
171.71988	0.3
182.63185	0.4
369.54263	0.4
385.21515	0.6
441.27676	3.1
445.23541	3.2
459.28784	1.7
463.24594	1.4
485.26532	2.8
503.27667	14.7
504.28058	1.0
513.00848	0.4
521.28729	100.0
522.21002	0.5
522.29034	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2874
Annotation	3-Libocedroxythymoquinone
Peak:m/z	Relative Intensity
55.05508	0.7
67.05509	1.7
69.07073	0.6
69.23729	2.7
81.07076	1.6
83.16963	0.3
88.50098	0.3
88.89852	0.3
88.90453	0.3
89.59248	0.3
91.05537	0.6
93.07060	0.5
95.05014	0.5
95.08619	0.6
105.03401	2.9
105.07069	0.4
106.03770	0.5
109.10177	0.6
161.66911	0.3
239.06926	0.4
275.20001	0.5
284.06873	1.3
285.07724	0.6
295.06015	0.4
297.07596	0.7
299.08984	0.8
309.07614	0.4
311.09143	0.5
312.09839	0.5
325.11020	0.8
327.08850	1.1
328.09329	0.7
337.27411	2.4
341.10345	0.5
342.10925	3.3
343.11487	0.5
355.11432	0.4
357.13470	1.0
359.11420	1.6
367.11902	0.4
399.14386	0.6
401.24530	0.6
421.12552	0.5
441.27689	1.7
445.23425	6.2
459.28754	0.6
463.24448	2.1
477.29639	0.4
485.26584	1.1
503.27646	21.3
504.27710	2.1
521.28717	100.0
522.29034	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.9
55.20988	0.6
55.79654	0.6
57.44661	0.6
67.05502	2.6
69.07062	1.1
71.29305	0.8
79.05502	1.3
81.07056	1.4
83.04964	2.4
84.80976	0.6
91.05466	0.9
93.07028	1.8
95.08614	1.2
105.03397	0.7
105.07030	2.2
107.08601	1.6
109.06536	0.7
109.10160	1.3
111.04424	0.9
117.07005	0.7
119.08568	1.5
121.10077	0.8
124.40958	0.6
131.08554	1.4
133.02614	0.7
133.10197	0.7
133.25690	0.8
145.10141	3.2
147.11705	1.0
149.09659	0.7
157.09999	0.7
159.11679	3.0
161.09683	0.7
161.13202	0.7
201.16455	1.3
202.17050	0.7
205.04668	1.1
220.23016	0.6
251.52896	0.7
273.03922	1.1
301.03397	1.3
303.04913	2.4
327.17654	0.7
367.15109	1.4
419.21939	4.0
449.21933	0.7
459.27875	2.2
463.20532	4.6
464.20914	0.7
477.29382	1.5
503.27805	8.4
521.27911	100.0
522.28485	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2874
Annotation	3-Libocedroxythymoquinone
Peak:m/z	Relative Intensity
67.05485	1.4
69.07075	0.9
71.30658	0.7
81.07055	0.8
86.09679	0.7
93.07038	0.7
104.10734	1.2
104.68955	0.7
105.03397	7.8
106.03734	1.7
116.31851	0.6
125.00014	1.1
184.07352	1.9
226.06134	0.8
241.04982	0.7
241.08585	1.3
255.06555	0.7
256.07361	1.3
281.08081	1.5
284.06772	3.1
285.07358	1.0
297.07480	1.5
299.09106	4.7
301.07175	1.3
327.08624	5.1
327.11981	0.9
329.06445	1.9
339.12198	0.8
342.10934	6.8
344.08884	1.7
359.11224	14.1
367.11725	0.8
436.28577	0.8
441.27567	1.2
459.28699	18.7
460.28943	1.5
477.29712	10.3
503.27707	14.1
521.28406	100.0
522.28967	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2873
Annotation	3-Libocedroxythymoquinone
Peak:m/z	Relative Intensity
69.28877	1.1
69.29285	0.6
71.96843	0.2
81.07030	0.2
98.10566	0.2
100.12146	0.2
100.39217	0.2
129.36946	0.3
176.61729	0.3
222.77594	0.2
290.17999	0.2
372.18854	0.3
389.21112	0.4
401.20755	0.3
403.22375	0.4
417.24045	0.3
419.25049	0.3
419.30960	0.3
445.23370	0.8
447.21286	0.6
459.28439	2.2
463.24539	13.8
464.24933	1.1
477.28961	0.3
485.26617	0.7
503.27634	11.1
504.27887	0.9
521.28687	100.0
522.29034	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52393	0.4
57.01035	0.3
62.95921	0.4
67.05496	0.9
69.21320	2.6
78.95338	0.4
81.03186	0.5
81.07048	0.7
93.07072	0.7
97.66478	0.4
105.03430	0.8
105.07038	0.5
109.10168	0.8
119.08568	0.4
159.11658	0.4
187.15878	0.4
229.14363	0.5
264.66306	0.4
299.79236	0.3
342.11035	0.7
359.11414	0.5
401.24506	13.9
402.24863	1.2
402.88849	0.4
416.50479	0.4
425.97983	0.4
445.23486	27.4
446.23651	2.7
459.28729	1.0
463.24548	7.7
464.24835	1.0
468.32156	0.4
485.26468	0.9
503.27710	5.8
503.34549	0.5
504.28058	0.8
521.28760	100.0
522.29053	9.8
535.19489	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	15.7
55.05504	21.3
57.07072	21.7
63.73642	7.6
67.05502	57.7
69.01114	7.3
69.07064	19.5
70.99252	17.0
72.02576	7.6
79.05495	30.8
81.07064	62.9
91.05487	34.1
91.06004	10.6
93.07043	55.6
93.61352	7.2
95.04967	10.0
95.08614	38.6
105.03401	24.3
105.07037	32.4
107.08603	33.4
109.10172	24.1
119.08588	18.4
121.10103	12.0
122.68204	9.9
123.11692	9.1
132.23888	7.9
133.10135	15.9
135.11705	26.0
150.31654	9.0
163.11232	9.3
165.05545	14.4
175.07640	9.3
239.06975	10.6
249.09149	9.0
251.06966	10.9
255.06584	12.6
263.07104	11.8
263.10751	8.7
265.08591	10.9
269.08127	12.2
271.17004	33.7
277.08466	10.7
283.09805	9.9
284.06934	13.6
292.07446	8.8
293.11676	11.0
299.09189	11.5
307.09650	17.0
309.07495	12.7
309.11151	11.6
314.07971	21.3
321.11285	11.0
322.33713	9.3
323.12674	11.1
329.10220	28.1
330.11032	10.3
335.09012	11.8
335.12735	12.2
337.14478	11.9
339.12363	16.0
365.14035	10.8
367.15475	24.3
376.12778	10.1
387.17593	13.0
397.16470	14.8
399.18216	43.3
419.18439	21.6
421.20331	46.8
433.20013	35.9
451.21194	58.6
452.22083	76.3
453.22375	20.8
459.25284	33.5
489.26236	43.0
490.26987	12.3
491.27991	12.6
521.28937	100.0
521.50525	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3238
Annotation	Ochrocarpinone B
Peak:m/z	Relative Intensity
53.03942	2.2
57.07084	1.6
67.05502	1.3
67.33276	0.6
67.59055	0.8
69.07066	1.6
70.82271	0.7
79.05501	2.6
81.07048	1.9
83.03954	0.7
83.08599	1.0
91.05474	1.7
93.07039	2.8
95.04986	1.5
95.08614	2.6
105.03390	12.6
105.07021	1.9
107.08612	1.1
109.10148	1.3
119.08611	1.4
135.11685	1.1
156.36038	0.8
159.11705	0.7
163.11156	1.0
227.12868	2.0
276.64581	0.8
374.43045	0.7
427.91629	0.8
521.32361	100.0
522.32745	7.3
538.15430	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.3
55.01878	12.6
55.05507	68.0
56.06813	9.4
67.05506	33.5
69.03429	24.2
69.07066	48.5
71.05003	11.7
71.30057	10.7
71.30444	10.5
79.05496	27.3
81.07048	100.0
83.08617	24.0
85.02911	19.8
85.06559	11.3
86.03562	14.5
86.96576	9.4
91.05497	33.8
93.07050	57.6
95.08609	93.4
97.06527	17.7
97.10162	80.0
100.91991	9.5
105.07040	51.6
106.07371	10.2
107.08591	61.6
109.06521	25.1
109.10155	48.3
117.07000	11.4
119.08611	38.7
121.10174	33.9
123.08090	18.4
123.11727	42.5
124.70866	9.5
125.09645	24.6
131.08528	13.4
133.10156	35.6
135.08015	16.1
135.11713	28.0
137.06003	40.7
137.09549	19.9
137.13264	19.3
143.10666	51.4
145.10187	14.3
147.11702	27.2
148.11993	23.2
149.13310	28.9
151.03918	16.4
159.08090	10.9
161.09688	11.2
163.14825	16.0
165.09145	29.2
173.13293	16.6
174.13600	11.9
175.14853	12.7
177.04008	10.7
177.05565	9.6
185.11737	14.5
186.51227	10.1
189.11205	14.0
191.10738	10.5
191.14264	15.9
192.14655	13.5
204.07813	10.9
204.86565	9.6
217.04893	9.0
219.10187	37.3
254.15523	9.3
293.24893	15.5
305.24774	40.2
323.25848	19.3
351.66144	10.1
485.24463	19.8
503.25751	15.7
521.31293	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3321
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.05507	26.2
59.19707	6.4
59.58580	7.0
67.05494	39.4
69.03439	8.6
69.07054	21.9
69.48917	15.2
69.49326	26.5
73.68752	6.4
79.05497	27.5
81.07062	100.0
83.05001	9.0
83.08616	14.7
91.05474	26.4
93.07043	63.6
95.04977	12.3
95.08617	75.4
97.06506	8.8
97.10153	15.0
105.07027	44.1
107.08595	63.8
109.06509	8.4
109.10152	56.7
111.08099	11.4
116.37991	6.6
117.07027	9.0
119.08575	41.7
120.62141	7.0
121.10132	51.0
122.38202	7.9
123.11687	32.2
129.84119	8.4
131.08537	15.8
133.10120	27.3
135.11710	34.0
137.05980	14.0
145.10097	13.6
147.11699	19.6
149.13257	64.2
151.03914	8.7
151.07585	7.1
152.47490	7.1
157.10187	9.6
159.11632	12.3
161.13258	13.8
163.07619	7.4
163.14822	16.0
177.16525	9.0
189.16347	7.1
191.78088	6.7
193.10167	8.8
193.15926	8.0
221.89996	8.6
275.23764	10.2
277.25146	7.5
293.24789	15.3
305.24722	75.0
323.25912	11.1
339.08038	7.7
452.12286	8.2
521.30432	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13575	2.8
50.26225	3.1
55.05513	11.9
57.07074	3.6
65.03925	3.4
67.05506	17.2
69.03431	7.9
69.07067	12.8
70.82117	7.4
71.04996	2.9
72.78463	2.9
79.05489	20.2
81.07059	42.1
83.04992	13.2
83.08624	5.5
85.02923	4.9
91.05478	17.9
93.07030	35.3
95.04977	9.4
95.08614	34.9
97.06522	5.7
97.10179	5.4
105.07017	20.4
107.04927	3.8
107.08607	29.4
109.06516	7.4
109.10176	20.3
111.04460	7.7
111.08064	5.4
111.53722	3.0
117.07036	5.6
119.08568	14.6
121.06572	5.5
121.10126	16.2
123.04457	5.0
123.08118	3.5
123.11733	12.2
128.06204	5.7
129.06989	5.3
131.08615	9.2
133.10124	11.8
135.08054	6.2
135.11710	15.0
137.06006	10.9
137.13235	3.3
139.04059	3.2
139.11153	3.3
141.06975	3.8
143.08585	5.3
145.06458	3.8
145.10139	14.8
147.04306	3.3
147.08022	5.0
147.11682	14.4
149.06046	3.3
149.09621	4.2
149.13239	13.9
153.01869	5.1
155.08577	5.2
157.10178	6.4
159.08078	4.5
159.11699	7.5
161.09637	5.3
163.04059	3.0
163.07471	3.5
163.11147	4.0
163.14833	5.6
167.08650	4.0
169.10162	5.2
171.08025	3.8
171.11584	3.6
173.09659	5.9
175.07491	4.7
175.14833	3.5
177.09091	3.3
181.09996	3.3
183.08084	4.2
185.09612	5.4
187.07506	3.5
189.09151	3.7
195.02937	4.3
199.11261	5.6
201.09222	4.5
211.11237	4.1
212.39473	2.8
213.09135	4.0
239.10660	4.4
251.10471	3.5
251.14331	3.0
259.24185	3.7
263.10910	3.2
273.12686	3.4
293.24768	7.1
305.24814	22.3
457.19858	8.2
475.10712	3.4
475.20496	4.2
485.19116	3.6
503.20093	7.8
521.25305	100.0
522.25482	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
53.73913	0.8
53.76171	0.9
55.01871	1.2
55.05513	9.4
57.07077	20.3
67.05508	17.4
69.07069	8.5
69.23777	6.6
71.04990	2.0
71.08635	13.3
73.17986	0.8
77.84556	0.9
79.05500	17.6
81.03427	1.0
81.07058	21.2
83.04978	2.8
83.08624	11.2
85.10197	7.6
91.05487	6.4
93.07047	23.1
93.07630	1.7
94.58179	0.9
95.04952	4.9
95.08607	34.8
97.02879	2.4
97.06532	1.1
97.10177	3.5
98.23080	3.4
99.04446	2.4
99.11683	0.8
105.07017	4.9
107.04970	7.4
107.08599	18.0
109.06522	0.9
109.10143	8.2
111.08078	1.6
114.87602	0.8
117.07013	7.9
119.08592	6.8
121.06520	2.9
121.10149	8.2
123.11654	1.2
125.05946	1.1
130.07727	1.1
133.10127	2.5
135.08066	1.3
135.11697	32.3
139.07545	1.8
143.08611	0.9
145.10127	18.7
163.11182	46.3
164.11603	1.6
174.46609	0.9
181.12221	12.6
197.37057	1.0
209.11714	2.1
227.12778	100.0
228.13138	2.8
239.23697	3.8
465.22540	0.9
521.38373	56.1
522.38861	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.4
66.62366	2.0
67.05494	3.9
69.03216	7.7
69.03638	12.9
69.07044	3.5
77.52744	2.0
79.05499	2.3
81.07070	3.0
83.04965	4.7
91.05477	4.4
93.07057	2.2
95.04979	2.2
98.53928	2.3
105.03385	6.7
105.07027	3.5
107.08584	3.3
109.10213	2.3
119.08612	2.5
121.10162	2.0
125.05984	6.6
131.08572	2.7
135.11777	2.3
141.06982	3.2
152.06184	2.6
153.05460	8.3
153.07048	2.8
159.07974	2.6
165.06989	4.9
177.07088	2.3
178.07771	2.7
179.08464	2.6
181.04935	5.2
189.06978	3.6
190.07805	3.0
191.06871	2.4
191.08557	4.1
193.06467	2.5
193.10175	2.3
194.07152	3.2
195.08099	5.2
197.06039	5.1
203.37872	2.1
205.06448	3.8
206.07315	2.5
208.08856	2.8
209.09612	7.1
213.05534	3.0
219.08031	8.3
221.05942	2.7
222.06689	6.8
223.03932	6.2
223.07520	6.9
225.05473	5.6
227.07027	2.2
233.05917	4.7
234.06638	2.6
235.07629	6.2
237.05327	6.3
237.09113	5.9
239.07010	2.3
240.04193	9.3
247.07549	7.6
248.08258	4.3
249.05412	6.2
250.06190	7.2
251.03441	4.9
251.06941	14.3
252.04115	3.2
252.07832	8.3
253.05009	3.1
253.08473	4.1
255.06436	8.6
261.09131	2.4
262.06219	5.9
263.07016	14.9
264.07739	8.7
265.04980	15.5
265.08536	14.2
266.05634	6.0
266.09064	3.9
268.03702	6.8
275.07129	6.5
276.07846	4.1
277.05637	2.5
277.08621	17.9
278.05554	3.3
279.06494	32.1
279.10068	9.5
280.07275	11.5
281.04492	2.8
281.08029	6.6
283.05984	17.3
289.05032	3.0
290.05518	3.9
291.03629	2.2
291.06503	16.2
292.07159	8.3
293.04572	4.8
293.08020	11.7
294.05209	21.9
294.08783	15.5
295.06219	3.8
295.09586	10.8
297.03934	6.3
297.07602	2.5
304.07306	3.3
305.08124	20.4
306.08878	7.7
307.05963	25.6
307.09616	15.6
308.06979	10.4
309.07523	15.3
309.10947	4.6
311.05460	21.0
311.09085	7.3
312.06055	6.0
318.05301	4.0
321.07556	4.1
322.08313	27.5
323.09119	72.3
324.09531	5.2
325.07059	4.9
326.07864	3.8
332.06830	4.7
333.07571	19.6
335.05609	3.1
337.06918	4.2
337.10696	43.4
341.10254	6.4
347.08969	6.8
350.07806	7.6
351.08496	3.6
355.11496	3.1
365.10193	100.0
366.10498	7.0
383.11322	12.2
523.25610	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13801	3.5
55.01886	4.7
57.03445	5.8
61.02929	36.4
69.03412	19.8
70.73925	8.0
72.46020	3.4
72.69476	3.7
73.02930	10.8
85.02908	93.1
91.03953	34.5
97.02895	33.1
97.19545	3.9
99.04462	5.1
109.02897	11.2
115.03942	4.1
115.48538	3.2
127.03927	51.1
135.04405	5.5
141.37485	3.6
145.04955	49.7
161.02919	3.5
163.03984	17.5
163.06018	100.0
204.21715	3.5
208.50920	3.9
221.02882	5.7
254.53726	3.7
319.08832	3.5
325.11368	10.7
377.07281	4.3
404.62228	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58912	9.6
55.05510	9.8
57.07075	15.6
63.05009	10.1
67.05519	13.7
69.40327	46.8
69.40747	22.0
71.32033	9.4
72.61942	9.9
74.93594	10.7
81.07065	12.0
83.08609	11.2
105.03434	16.7
111.11845	9.7
113.23806	11.1
115.91876	10.7
119.08602	13.6
146.22668	10.0
148.14960	10.8
155.56493	9.4
256.07373	13.6
263.10611	14.7
297.62341	9.9
297.65771	10.5
314.07828	25.6
344.95117	9.9
353.13876	34.4
383.14941	100.0
400.18320	16.8
526.80695	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
56.38075	1.7
67.05523	3.4
70.23119	1.7
71.59424	1.7
75.63132	1.7
79.05505	2.0
81.07044	2.9
93.07030	2.2
95.04988	3.3
95.08607	3.7
98.22495	3.1
104.10753	3.8
105.03408	23.0
105.07056	3.5
106.03713	4.1
106.05023	2.1
107.08559	3.2
109.10197	2.7
119.08575	2.8
147.52283	1.7
151.03552	1.9
161.13210	1.9
191.77365	1.7
193.05075	2.1
203.10625	2.4
207.07957	2.1
218.07361	2.9
229.36006	2.1
230.09320	11.8
232.08949	3.8
233.09566	4.8
234.10332	2.1
234.19388	1.8
235.07635	6.0
247.07637	5.1
248.08438	2.1
249.09027	6.1
250.09908	7.0
251.10754	3.0
260.08344	2.3
261.09204	9.3
262.09848	2.6
263.07068	9.8
263.10620	4.8
264.07712	8.4
265.08627	3.5
265.12283	3.4
267.10187	5.3
275.10611	2.3
276.07846	4.9
277.08640	19.3
278.09409	17.7
279.10165	7.6
289.08475	3.2
291.10120	14.7
292.10889	4.2
293.08115	6.8
293.11728	16.7
294.12283	2.6
295.09726	2.7
304.07379	2.3
305.08029	17.4
306.08856	4.8
307.09494	13.5
308.10306	6.6
310.11807	2.5
319.09567	11.0
320.10272	6.3
321.07574	6.8
321.11240	23.5
322.08395	3.5
322.11966	6.8
323.08905	2.4
323.12549	4.3
336.09930	13.1
337.10614	17.5
351.12274	33.5
352.13031	30.3
353.13745	18.7
383.14923	100.0
384.15262	6.5
505.22336	2.3
516.96094	2.1
522.27002	54.6
522.35815	2.7
522.38263	2.7
523.27008	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08163	7.7
62.98235	1.7
68.58591	1.3
69.31643	9.0
71.07384	1.8
86.09705	29.1
91.05497	1.6
93.07024	1.3
98.98484	3.2
104.10734	3.8
105.03391	5.2
109.10188	1.3
125.00013	19.8
184.07350	100.0
219.08240	1.6
277.08551	2.0
278.09311	1.7
319.09656	1.6
321.11252	2.2
337.10757	6.3
351.12204	7.4
352.13159	8.2
383.15033	9.1
522.26740	6.9
522.36078	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.5
55.05502	2.8
57.03441	11.2
61.02943	2.8
63.44587	1.5
69.03440	8.2
71.04993	66.1
73.02898	2.9
74.37129	1.6
75.04483	4.5
79.05472	1.7
81.03426	2.1
83.04983	10.9
85.02905	100.0
87.04469	4.3
89.06036	16.4
90.06367	4.8
91.05484	2.3
95.04965	1.8
97.02899	6.7
99.04456	2.4
103.05513	2.3
105.06969	1.6
107.04967	3.6
111.04455	6.6
121.06541	4.2
127.03930	3.6
129.04578	2.9
129.05487	34.3
131.04951	2.6
133.08575	7.5
134.08922	3.1
135.09055	1.8
137.05977	64.0
138.06337	4.2
140.04678	3.4
145.04950	6.6
146.08209	1.8
147.04407	1.7
147.06534	18.1
147.07997	5.0
149.06018	2.7
151.03955	2.4
151.07553	10.5
153.05513	2.1
156.79808	1.9
159.08026	3.2
161.05989	3.6
163.07607	2.8
164.09204	4.5
165.09137	2.0
174.06741	2.2
175.07593	4.5
178.11661	1.6
179.07120	2.4
179.10648	8.4
181.08598	11.4
189.09167	3.4
191.10655	10.0
203.10701	4.1
207.10071	1.8
219.08154	2.5
219.10057	8.7
221.11766	2.9
247.09564	2.7
253.08455	2.9
255.08582	2.0
263.57172	1.8
271.09622	2.9
283.84918	1.5
289.14435	3.6
309.11560	3.1
350.40295	1.5
352.09372	1.5
360.41379	1.5
414.49088	1.7
432.19098	1.8
491.16370	4.5
526.09656	1.7
534.55389	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80055	1.9
55.05507	1.9
59.69430	1.9
67.05482	5.2
69.03423	5.4
69.07033	2.2
73.32036	1.8
79.05486	5.9
81.07042	14.0
82.74332	1.9
83.04984	4.1
83.08592	2.3
84.97366	2.0
91.05482	12.1
93.07054	5.2
95.04963	4.7
95.08636	4.5
97.02907	2.6
97.06493	2.9
99.04434	3.1
100.20522	1.9
103.05477	3.0
105.07025	8.5
107.04925	2.6
107.08598	6.2
109.06515	7.9
109.10168	3.0
111.08047	3.3
112.61123	2.1
115.05501	3.1
117.07006	8.5
117.64886	1.7
119.08591	8.0
120.09575	1.9
121.06505	5.3
121.10154	3.4
123.04453	5.1
123.08059	3.8
125.06001	3.5
128.06230	3.9
129.07007	5.2
131.04872	2.2
131.08571	7.0
133.06500	2.5
133.10141	4.1
135.08029	5.0
137.05948	18.4
137.09592	2.2
139.07513	5.6
142.07738	2.4
143.08563	11.3
145.06497	10.1
145.10129	7.2
147.08014	5.1
149.05992	5.6
151.03874	2.4
151.07520	3.0
155.08575	3.1
157.10100	5.2
159.08051	2.7
159.11682	2.0
161.06036	1.9
163.07538	15.3
166.07767	2.4
167.07063	19.0
169.10138	2.2
171.08049	56.9
172.08441	3.7
173.09608	3.7
175.07422	4.2
177.09081	4.7
183.11679	3.1
185.09647	3.8
187.07504	2.8
189.09116	8.2
191.10724	2.5
197.09668	2.2
197.13342	4.0
201.09152	3.1
203.10661	3.2
205.12234	7.0
207.11833	3.1
209.07849	2.0
211.11237	5.2
229.12073	3.0
243.13704	5.4
247.13237	2.5
249.12886	3.5
265.10693	22.0
277.12057	2.0
295.13528	3.4
325.17874	2.5
335.16177	2.5
353.17517	8.2
371.18384	5.0
380.33212	2.0
451.20874	9.0
469.22208	100.0
470.22849	10.1
487.23141	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43095	2.6
55.01870	2.7
55.05502	2.9
57.03429	5.0
58.84317	2.1
66.04842	2.1
67.05502	5.3
69.03428	7.3
69.07064	6.1
70.31350	7.1
71.04996	3.3
73.02895	5.7
79.05495	6.1
81.07059	28.5
85.02914	12.9
91.05470	10.1
93.07030	23.6
95.04979	3.1
95.08591	20.4
97.02868	6.2
97.06566	3.4
105.07004	14.0
107.08595	34.6
109.06483	3.2
109.10120	4.3
109.50162	2.2
115.03925	5.2
119.04825	2.3
119.08582	27.4
121.10152	11.7
122.09731	2.5
123.11716	10.2
131.08560	2.5
133.04974	4.7
133.10114	20.4
135.11682	34.2
137.05977	5.3
137.09578	3.0
145.04921	4.4
147.11667	4.4
149.13301	3.6
161.13275	2.4
163.14824	100.0
164.15193	3.2
174.57800	2.6
175.14828	46.6
181.15866	63.8
193.15871	38.8
211.16931	66.3
212.17314	3.5
365.37631	2.6
463.18243	4.3
523.33118	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06298	1.0
55.01878	2.8
55.05512	2.1
57.03437	3.9
61.02934	2.9
63.80937	0.9
67.05518	2.3
69.03425	8.3
69.07075	3.7
70.02460	3.8
71.01374	1.1
73.02924	17.1
79.05492	3.0
81.03413	1.9
81.07053	10.2
83.04997	1.3
85.02899	18.8
85.03375	1.7
85.74526	1.0
87.04460	1.4
88.59650	1.1
91.05482	3.5
93.07042	5.5
95.08612	13.5
97.02881	14.0
97.06598	1.1
99.08106	3.8
105.07037	11.4
107.08594	12.4
107.86855	1.0
109.02868	1.7
109.10169	3.7
113.09660	1.4
115.03914	6.4
119.08582	37.6
120.08947	1.3
121.10153	2.3
123.11717	4.2
127.03941	5.5
131.08588	1.7
133.04993	6.3
133.10130	62.8
134.10545	1.9
135.08044	1.6
135.11710	17.5
137.06013	2.9
137.09625	2.1
145.04979	4.4
145.10141	1.3
147.11687	2.0
150.07651	1.1
151.07550	1.5
163.06099	2.3
165.09145	3.6
167.07056	1.3
175.14825	100.0
176.15176	1.9
177.09093	1.7
193.12292	1.8
193.15892	15.7
193.41971	1.1
205.12186	1.2
211.16931	38.1
223.06009	1.4
259.07965	2.4
327.75427	1.1
492.22272	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.6
55.05509	5.2
57.03442	8.5
57.07042	1.6
61.02917	4.7
65.03954	2.3
67.05513	3.5
68.96539	1.7
69.03432	11.4
69.04970	2.5
69.05369	15.1
69.07077	7.8
71.01334	1.7
71.04984	11.5
73.02911	10.3
79.05481	8.2
81.03414	3.4
81.07057	25.5
83.08642	3.3
85.02906	25.3
91.05474	9.1
93.07039	15.9
94.04206	2.3
95.04996	3.0
95.08607	17.9
97.02883	13.3
98.23351	3.9
99.08122	2.7
103.04000	1.8
105.07020	14.6
107.08591	37.2
108.13975	1.5
109.06541	3.1
109.10154	4.5
111.08102	8.0
111.11722	2.6
115.03964	8.3
119.08571	26.1
120.20085	1.8
121.10136	14.1
122.03645	2.6
123.08039	4.8
123.11710	23.2
125.09618	1.9
127.03954	5.0
131.08513	2.0
133.04962	10.4
133.10130	25.7
135.08054	1.9
135.11697	20.8
137.05977	34.3
138.06305	8.9
143.08505	2.0
145.04970	5.4
147.11687	5.8
149.13298	6.3
151.03908	3.8
151.07532	4.1
154.93741	1.6
163.06075	3.4
163.07530	1.7
163.14818	100.0
164.15172	4.9
165.09108	3.5
175.14818	61.0
176.15173	4.0
177.09172	2.6
181.15877	72.8
189.09093	2.2
193.15872	62.0
201.08769	2.0
211.16911	60.3
212.17288	2.1
219.10114	4.4
265.08469	2.0
294.42178	1.7
295.10251	1.7
305.05670	1.7
308.10229	1.7
319.17133	1.7
322.11496	3.8
323.13034	2.0
368.15805	2.3
460.25873	1.8
462.17194	4.0
491.38229	1.9
523.33142	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01867	4.5
55.05506	5.8
55.32329	1.6
56.96574	2.6
57.03430	6.2
57.07090	2.0
58.47680	1.6
61.02922	2.7
61.53565	1.9
67.05490	6.7
67.68092	1.5
69.03429	11.3
69.07056	7.0
69.53777	1.6
70.62648	2.7
70.62994	3.5
71.04990	3.6
71.14648	1.5
73.02919	11.7
79.05485	9.0
81.07054	30.8
83.08624	3.6
85.02901	19.0
85.06548	4.2
91.05470	12.7
93.07046	37.9
95.04996	2.4
95.08614	21.1
97.02894	10.4
98.97590	10.5
99.08070	5.5
105.07030	21.9
106.07265	1.8
107.08595	43.2
109.02776	2.2
109.06531	1.8
109.10152	7.1
109.13145	2.0
110.97583	2.3
111.08086	3.5
115.03915	4.5
116.98600	3.2
119.08582	58.0
120.08909	1.8
121.10146	8.5
123.04411	2.3
123.08087	2.1
123.11727	8.7
127.03885	3.5
128.27188	1.7
131.08507	2.0
133.05003	3.8
133.09210	1.3
133.10129	32.7
135.11691	71.4
136.12050	3.2
137.05965	7.8
137.09621	2.2
138.06285	2.4
143.00111	2.3
145.04950	3.6
147.11681	9.0
158.99626	2.8
163.14818	48.1
170.99733	2.0
175.14825	100.0
176.15208	4.0
181.15866	34.1
189.83302	1.9
193.15869	44.4
211.16937	28.0
219.01718	2.6
237.02808	3.8
349.15298	7.3
372.96341	1.7
463.18634	18.3
522.23285	1.8
522.31110	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87431	1.1
55.01855	3.7
55.05506	4.6
57.03435	9.7
57.07069	1.2
59.04990	2.8
61.02919	4.6
67.05500	7.7
69.03429	15.3
69.07065	10.3
71.01345	1.2
71.04990	5.2
71.30811	1.6
73.02914	15.2
79.05492	5.3
81.03404	3.3
81.07063	16.6
83.04964	4.1
83.08602	6.0
85.02904	34.9
85.06541	1.7
87.04470	1.7
89.80350	1.2
91.05478	7.7
93.07039	12.1
95.04978	3.3
95.08601	16.6
97.02890	26.4
97.06530	14.4
97.10152	1.6
99.04437	2.6
99.08101	1.3
103.03937	1.8
103.05455	2.6
105.07026	12.5
107.04981	1.2
107.08588	13.1
109.02881	3.2
109.06531	11.5
109.10152	9.1
111.04520	1.7
111.08075	2.7
113.09666	1.1
115.03941	6.5
115.07566	1.8
119.08575	17.9
120.08118	2.1
120.08907	1.2
121.06523	2.0
121.10151	12.5
122.09692	1.4
122.10499	1.2
123.04445	11.5
123.08078	7.9
123.11710	26.5
125.09600	1.5
127.03928	8.1
131.04916	3.4
131.08571	2.3
133.04967	8.5
133.10132	23.2
135.04419	8.4
135.08026	2.1
135.11694	19.3
137.05969	12.6
137.09612	6.7
139.03929	6.3
139.04875	1.1
142.07820	1.5
143.08501	1.7
145.04953	10.5
145.10146	1.6
147.04379	2.8
147.08025	1.4
147.11668	5.2
148.04813	1.2
149.05969	1.7
149.09615	2.1
149.13268	9.9
151.03903	3.4
151.07541	3.8
151.11177	2.3
153.05533	2.1
155.08617	1.5
159.11658	2.4
161.05966	5.3
161.09630	1.8
163.06090	3.0
163.07538	4.2
165.09105	2.9
167.07120	1.4
170.57390	1.3
171.19865	1.2
173.09622	1.6
175.07539	1.6
175.14832	35.9
177.09109	5.4
179.07001	1.3
181.04897	2.8
185.02797	1.5
187.07426	1.4
189.09207	3.1
192.99849	1.1
193.04958	1.4
193.15892	72.5
194.16167	2.2
195.06528	5.5
209.08089	2.6
211.16927	100.0
212.17300	2.9
219.10097	3.0
221.08073	1.5
223.09659	3.9
235.09750	1.4
237.11110	1.5
241.06889	2.2
259.08084	2.3
261.08826	1.4
289.08710	1.4
325.10687	5.3
335.18704	1.5
343.11703	4.6
381.22290	1.4
477.22073	1.5
504.20685	1.8
505.28088	2.0
522.22589	1.5
522.31573	7.3
523.16302	1.9
523.21967	1.9
523.28955	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
53.06810	1.6
55.01869	5.6
55.05505	5.2
56.29692	2.0
57.03431	7.4
59.05013	2.3
61.02927	4.1
67.05496	5.9
69.03419	15.5
69.07069	11.8
71.01368	2.5
71.04986	5.0
71.30389	3.3
73.02910	12.1
79.05488	6.5
81.03421	3.6
81.07047	12.2
83.04986	2.6
83.08609	6.2
85.02412	3.5
85.02902	33.1
85.03377	3.2
85.06521	1.9
87.04507	2.2
91.05500	5.3
93.07046	11.7
95.04965	5.2
95.08602	15.0
97.02885	18.1
97.06526	17.7
97.10184	2.1
99.04476	3.5
99.08094	1.7
105.07047	12.2
107.08590	14.0
109.02902	2.9
109.06513	13.2
109.10174	8.9
111.08086	2.7
111.11699	3.3
115.03923	6.9
115.07582	3.7
115.61855	1.7
117.07040	2.0
119.08575	19.5
120.08952	1.6
121.10149	9.1
122.09656	2.2
123.04449	3.3
123.08118	10.0
123.11708	9.6
127.03936	6.1
128.06285	2.1
131.04906	2.3
131.08627	2.7
133.04985	9.9
133.10127	32.9
133.11061	2.6
134.10464	2.4
135.08075	2.6
135.11681	18.1
137.05960	10.3
137.09628	8.0
139.03900	5.2
145.04959	9.4
145.10176	2.4
147.11665	4.4
149.13239	14.8
151.03934	2.5
151.07643	2.5
157.05235	2.1
157.10027	1.9
163.06013	3.2
165.09142	4.6
173.13162	1.8
175.11176	2.2
175.14813	45.7
176.15231	2.3
193.10144	2.2
193.14124	3.4
193.15886	66.8
200.11540	2.0
203.10564	1.9
208.12227	2.0
211.16927	100.0
212.17310	3.1
251.08929	2.8
259.08353	1.8
358.12924	1.8
359.12988	2.4
522.32104	2.5
523.28717	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37970	0.9
55.01871	3.8
55.05510	1.2
55.14152	0.9
57.03438	7.8
61.02925	3.1
67.05490	1.6
69.03426	8.9
69.07074	2.7
69.81749	3.2
69.82164	1.9
71.01379	1.4
71.04999	1.1
73.02917	9.4
78.30406	0.8
79.05494	1.8
81.03436	1.6
81.07054	8.3
83.22585	0.9
83.94194	0.9
85.02905	21.9
91.05495	2.5
93.07039	5.2
95.04894	0.9
95.08607	12.1
97.02892	12.0
97.06517	1.1
99.08088	5.9
105.07018	9.2
107.08595	9.1
109.02871	2.5
109.10197	2.0
113.09605	1.7
115.03940	5.3
119.08581	52.2
120.08913	1.0
121.10183	1.4
123.11706	3.4
127.03928	4.6
133.04977	8.5
133.10127	83.7
134.10483	3.9
135.11681	21.7
137.06027	1.8
145.04961	4.3
147.11717	3.0
163.06067	1.8
175.14822	100.0
176.15224	2.9
193.15887	24.7
194.16289	1.6
203.94817	1.0
211.16924	49.6
212.17403	2.2
214.65451	0.9
259.08099	1.2
399.35101	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01864	1.8
55.05523	5.2
57.03430	3.3
57.07073	1.0
59.04996	1.5
61.02925	1.3
67.05500	9.4
68.68298	1.0
69.03427	33.9
69.07069	3.4
69.12938	8.8
71.01369	1.2
71.04987	4.5
73.02914	4.0
73.44484	1.1
79.05492	5.6
81.03408	1.8
81.07059	12.9
83.04978	3.1
83.08604	2.0
85.02900	7.9
85.06544	8.0
91.05476	5.3
93.07039	10.2
95.04980	1.9
95.08605	11.0
97.02898	5.0
97.06545	2.2
98.23351	1.9
99.04473	0.9
99.08092	65.1
100.08430	2.0
105.01888	1.2
105.07030	14.9
106.07361	1.2
107.04964	1.6
107.08595	13.2
108.08900	1.3
109.02889	1.5
109.06535	3.3
109.10161	13.2
109.98382	1.1
111.04493	1.8
111.08066	2.5
113.05964	1.0
115.03918	2.3
119.08578	14.6
121.06503	1.7
121.10166	6.6
122.09675	2.5
123.04444	2.6
123.08099	2.0
123.11695	8.1
127.03912	2.6
127.11165	1.5
131.08585	1.9
133.04965	4.1
133.10130	24.3
135.08089	1.0
135.11685	16.5
136.50314	1.0
137.05980	8.7
137.09593	5.9
138.06345	1.7
139.03883	9.9
141.07027	1.1
143.08559	1.3
145.04973	2.7
145.10115	1.2
147.11697	2.9
149.06050	1.4
149.13243	2.4
151.03859	1.4
151.07468	2.3
151.11156	3.0
159.08052	1.0
159.11682	1.2
161.05969	4.0
163.06065	1.4
163.07542	1.7
163.11108	1.1
165.09117	3.4
165.16362	1.1
167.07059	1.8
175.07570	2.5
175.14841	14.5
177.09198	1.9
185.09743	1.0
189.09166	1.7
193.15884	100.0
194.16289	3.6
201.09093	1.1
203.10596	1.9
203.17972	3.6
211.16939	16.7
219.10162	2.4
221.19025	2.9
232.08783	1.2
233.11592	1.2
238.76883	1.1
329.47595	1.1
372.15213	2.5
459.21265	1.1
522.21826	1.9
522.30865	1.3
523.22040	3.0
523.32007	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03195	5.0
52.98292	4.3
53.03954	4.8
55.05518	11.6
58.66436	4.9
58.95807	4.3
59.98214	4.2
67.05515	23.1
69.03458	5.2
69.07075	14.1
71.05016	6.8
79.05496	14.5
81.07066	20.4
83.04987	31.1
85.02949	4.6
91.05494	14.8
93.07042	24.4
95.04991	11.5
95.08610	34.7
97.06528	5.8
97.47762	4.8
105.07043	25.2
107.08602	19.5
109.06551	9.2
109.10160	10.3
111.04453	7.3
111.08093	7.8
117.07053	8.3
119.08597	17.1
119.76927	4.8
121.06455	10.1
121.10186	9.3
123.08066	10.1
123.11732	5.6
128.06195	4.6
129.07031	11.4
131.08572	18.2
133.06541	4.5
133.10165	18.3
134.06046	11.7
135.08061	11.3
136.62312	4.2
139.07558	7.6
142.07693	5.4
143.08614	16.8
145.06563	5.2
145.10130	21.5
145.91846	4.8
147.11671	8.3
155.08652	13.7
157.10135	27.4
159.08026	7.4
159.11705	21.9
160.12108	5.4
161.09668	16.7
165.06967	6.5
166.09100	4.3
169.10144	10.9
171.08046	8.4
171.11684	9.9
173.09644	10.6
173.13300	9.0
175.11159	5.3
178.08701	6.8
179.10738	5.2
180.06621	7.0
181.10141	8.4
183.08064	7.2
183.11728	15.6
185.09715	9.6
185.13239	7.1
187.11298	9.3
189.09044	7.2
193.10164	9.8
195.11765	14.4
197.13292	10.0
205.12175	5.1
206.08226	11.9
207.11710	8.0
209.13301	7.6
213.12782	8.3
218.10989	5.2
219.13763	4.9
223.11191	8.3
225.12781	5.8
231.11729	6.3
233.13287	7.5
235.11026	6.2
241.12360	8.8
243.13846	5.1
247.14888	6.6
249.12761	6.8
249.16338	8.8
251.14256	7.4
253.12254	6.1
255.13762	5.9
264.31766	4.9
265.15771	5.8
275.14307	6.0
293.15533	8.3
301.16040	4.6
303.04987	6.3
337.17859	6.4
347.19974	10.7
355.19373	6.4
365.21085	12.5
387.23328	8.6
393.20618	8.6
405.24231	16.7
411.21686	9.6
415.22717	26.9
423.25406	15.3
433.23749	48.8
439.24960	8.4
449.16202	5.9
451.24695	81.7
452.24918	11.3
457.25726	6.5
469.25851	100.0
486.35794	22.8
487.27054	38.2
504.36755	23.4
522.29474	9.3
522.37909	58.3
523.27826	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32526	0.1
55.05500	0.2
56.05030	0.6
58.06635	0.5
59.07412	0.1
60.08167	7.1
60.74658	0.1
67.05499	0.2
69.07076	0.3
70.59435	0.4
71.07377	3.0
75.93142	0.2
81.07042	0.2
83.08612	0.3
86.09708	30.8
86.99218	0.2
87.10056	0.4
90.75761	0.1
95.08614	0.3
97.10206	0.2
98.98471	3.1
98.99117	0.2
104.10744	2.5
105.03426	0.1
125.00007	20.3
126.00372	0.2
148.23096	0.2
148.74918	0.2
184.07347	100.0
185.07718	1.4
190.41550	0.1
191.38933	0.2
220.72723	0.1
258.10956	0.4
316.02664	0.1
339.28763	0.2
376.04111	0.2
445.26303	0.2
504.34814	0.9
522.35345	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.9
56.05030	1.4
57.03428	0.3
57.07084	0.4
58.06611	1.3
60.08164	17.2
67.05499	1.1
69.07066	2.5
69.18693	2.9
71.07377	6.6
72.48474	0.3
72.81286	0.3
79.05504	0.6
81.07045	1.3
83.08607	1.3
86.09705	52.7
87.10032	0.8
93.07038	0.8
95.08613	0.9
97.10148	0.7
98.98469	4.3
104.10742	100.0
105.03408	0.3
105.11082	1.3
107.08591	0.7
109.10166	0.5
121.10172	0.4
125.00003	29.0
149.13277	0.4
160.34808	0.3
163.01628	0.5
184.07339	99.5
185.07707	1.5
258.11023	1.3
339.29050	1.5
423.12085	0.4
445.27325	0.4
504.34521	7.4
505.34903	0.9
522.35547	24.1
523.28442	0.7
523.35883	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	0.9
53.03957	2.3
55.05513	2.8
56.05023	1.9
56.87846	0.8
57.07076	1.8
58.06608	1.2
60.08167	19.1
61.08515	1.1
67.05502	2.0
69.07072	3.7
69.54903	0.9
71.07378	7.7
71.08664	0.9
71.33093	1.1
79.05476	1.1
81.07082	3.0
83.08620	1.2
86.09708	48.1
87.10053	4.0
91.05486	2.0
93.07053	3.9
95.04982	2.9
95.08623	2.7
97.10248	0.9
98.98479	5.2
104.10744	93.6
105.03394	28.8
105.04505	1.7
105.07061	2.1
105.11072	8.3
107.08599	3.3
109.10163	1.6
119.08593	1.0
124.99080	1.4
125.00005	28.8
133.10138	1.4
135.11749	1.6
145.10146	0.8
167.07141	1.1
182.88751	0.8
184.07349	100.0
185.07693	7.5
191.10773	1.0
195.08272	1.0
195.10052	0.8
197.06042	1.1
210.06812	1.2
211.07639	2.0
224.04662	1.5
225.09172	2.5
226.06271	1.2
227.07173	1.2
235.11183	1.5
237.09190	2.2
238.06190	1.6
239.07042	3.9
240.07886	1.9
241.05022	1.8
242.05598	1.0
243.06503	2.0
248.08281	1.5
249.09097	1.9
251.07080	1.5
251.10674	1.8
253.08621	2.7
254.05922	1.2
254.08939	1.1
255.06584	2.0
256.07294	1.0
263.10681	3.7
265.08609	3.3
266.05820	1.0
267.06616	2.6
267.10547	1.1
267.13788	2.0
268.07263	1.2
269.08215	0.9
270.05170	2.1
271.06024	1.5
277.08694	1.4
279.10321	2.3
280.10944	2.4
281.08133	4.4
281.11581	1.5
283.06058	2.6
283.09460	1.0
285.07715	3.3
287.05466	2.1
291.10175	2.4
293.08151	2.2
293.11395	1.7
294.12463	1.0
295.13251	5.8
296.13986	1.4
297.07623	2.7
297.11063	1.4
298.08371	1.4
299.09335	2.0
301.07162	2.9
302.07834	9.1
307.09634	1.8
308.10440	2.4
309.11197	3.0
311.09158	3.7
312.09842	1.0
315.08636	1.6
316.09451	9.2
317.10132	2.3
321.11118	1.9
323.09372	1.7
323.12726	7.7
324.13303	2.0
325.10861	1.9
325.14368	1.8
327.15887	3.4
329.10284	2.6
339.12469	1.5
340.13153	1.5
343.11823	3.5
353.13858	6.1
354.14706	4.5
355.15399	25.1
356.16013	1.5
385.16446	40.6
386.16663	2.1
392.10156	2.0
401.19476	1.3
423.12033	46.1
424.12439	3.9
504.34555	3.9
505.22003	2.2
505.34787	3.8
522.35522	12.8
523.16803	1.4
523.29236	1.1
523.35864	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
55.05503	2.1
56.05017	1.2
58.06585	1.6
60.08161	18.1
62.00963	0.9
67.05486	2.4
69.07071	5.7
69.11587	1.2
69.40916	5.1
70.76646	1.2
71.07359	7.7
79.05498	2.5
81.03423	1.1
81.07061	4.5
83.08612	1.7
86.09702	45.7
87.10039	5.4
93.07039	2.7
93.38797	1.0
95.04967	2.1
95.08585	3.2
98.98463	6.1
104.10738	86.7
105.03387	30.3
105.04469	1.5
105.07006	2.9
105.11084	9.4
107.08583	3.3
109.10152	2.6
119.08576	2.2
121.10165	1.8
124.99996	29.9
133.10130	1.8
135.11624	1.9
160.81064	1.1
183.04437	1.2
184.07332	100.0
185.07703	7.6
197.06039	1.7
209.45110	1.1
211.07465	2.4
211.16940	1.3
225.05371	2.4
225.09125	2.8
226.06114	1.5
227.06902	1.4
237.09116	1.8
239.07033	2.9
241.04955	1.4
243.06506	2.3
248.08327	1.5
249.09135	2.0
252.11276	1.5
253.08633	3.7
254.05693	1.3
255.06648	2.2
263.10522	3.0
264.11462	1.3
265.08566	4.2
265.12244	2.1
267.06525	3.9
269.08063	1.4
270.05298	1.4
271.06006	2.6
279.10168	1.5
280.10831	2.9
281.08023	4.0
281.11374	2.0
283.06052	3.1
284.06888	1.6
285.07538	3.5
287.05423	1.9
291.10010	2.8
293.08109	1.7
293.11612	2.3
294.12234	1.6
295.10205	1.2
295.13275	6.2
297.07501	4.4
297.10870	2.1
298.08386	2.0
301.06958	3.4
302.07813	8.9
308.10352	2.6
309.11139	2.4
311.09122	4.9
313.10510	1.3
314.07831	1.4
315.08643	1.7
316.09393	10.9
317.10223	2.1
321.11197	1.6
322.11942	1.7
323.12653	5.2
324.13391	1.6
325.10742	2.1
325.14465	1.9
327.15790	4.5
329.10132	2.6
339.12338	2.2
339.29041	2.7
340.13013	3.1
343.11774	2.2
353.13797	8.0
354.14478	4.5
355.11038	1.6
355.15375	26.7
356.15823	1.2
362.29150	1.1
385.16440	41.7
386.16553	3.3
392.10242	3.1
423.12057	44.0
424.12308	2.8
504.34305	3.6
505.22244	1.4
505.34647	3.6
522.35608	10.2
523.30249	1.5
523.35852	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1938
Annotation	Herpetone
Peak:m/z	Relative Intensity
54.30738	0.5
69.27567	1.4
69.27979	3.0
91.05452	0.6
91.48013	0.5
98.22648	1.1
103.85104	0.6
104.04845	0.6
105.03376	2.7
123.04189	0.9
143.93703	0.6
181.08476	0.7
196.08855	0.6
211.07599	0.9
213.09142	1.1
224.08145	0.8
226.06253	0.8
227.06992	1.0
239.07011	0.8
239.10640	0.7
241.08582	0.8
251.07016	2.3
253.08487	0.8
254.05733	1.0
254.08994	0.7
256.07404	0.9
259.72318	0.7
265.08484	1.1
266.05780	0.7
267.10098	2.8
268.07318	0.7
269.04504	0.7
269.08047	2.1
279.06467	2.4
279.10114	0.6
281.07883	1.2
282.05084	0.7
283.06046	1.0
284.06641	1.0
285.07495	2.6
286.08139	0.7
293.07666	0.7
295.09601	2.5
296.10062	0.7
297.07532	2.0
297.11163	1.6
298.08316	1.7
299.09012	2.5
300.09949	0.8
314.11453	2.9
325.10776	1.3
329.10229	5.3
329.13736	1.1
336.09802	0.9
344.12576	1.1
353.10129	1.1
368.12311	1.3
369.13184	0.7
371.14813	3.6
377.10086	1.1
383.14963	3.7
392.12170	2.6
393.13062	0.6
401.15927	1.8
408.11984	0.8
423.14148	46.8
424.14508	3.2
469.06619	0.6
505.28146	0.8
523.19159	100.0
523.29932	3.1
524.19507	9.2
532.85864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03919	0.8
55.05508	1.1
57.33303	0.8
71.32275	0.9
73.02544	0.7
83.04974	0.8
105.03402	6.4
106.03728	1.8
107.04918	0.9
107.21831	0.7
165.47758	0.7
174.20619	0.7
205.18616	0.8
227.06880	1.2
235.07426	1.3
237.08978	1.0
239.07013	1.1
241.05025	1.0
241.76126	0.8
249.09218	0.9
250.09734	0.8
251.07076	1.1
252.07526	0.9
255.06512	2.2
264.07950	0.9
265.08466	1.4
267.10226	1.6
268.07275	1.0
269.07993	1.2
277.08426	1.2
278.09384	1.5
280.07251	0.9
281.07953	1.0
283.06070	2.9
285.07620	1.6
291.10254	0.9
293.08002	1.0
293.11649	1.1
295.09647	2.1
297.07697	1.7
297.11008	1.8
298.08307	7.4
299.09100	2.2
307.09613	0.9
311.09039	1.0
312.09811	1.3
313.10620	5.3
315.08649	1.0
315.12173	1.8
320.06689	1.2
320.10379	0.8
321.07352	1.9
321.11197	3.1
325.10706	2.1
326.07782	2.5
327.08743	1.1
327.12189	1.7
328.09503	1.0
329.10181	1.1
336.09833	2.3
337.10626	1.7
338.07550	1.7
338.11212	1.1
339.16208	0.8
341.10229	11.8
351.08347	6.6
351.12317	2.1
352.13034	1.1
353.13846	2.9
357.13220	1.1
383.14856	7.0
392.12018	1.8
393.12918	1.1
401.15887	7.1
403.26114	5.6
408.11707	1.2
409.16229	1.2
423.14151	56.1
424.14505	3.3
443.29187	1.5
444.28638	0.8
447.25040	5.1
461.30411	4.4
465.26245	6.2
479.31619	4.0
487.27841	1.9
505.22162	1.3
505.29150	13.2
523.22638	63.8
523.30255	100.0
524.22961	4.9
524.30573	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09335	1.0
53.03952	5.0
55.05503	1.6
65.03952	1.1
67.05511	4.1
68.71430	1.1
79.05508	4.0
81.07083	4.4
83.04992	4.5
88.32767	1.2
91.05500	5.6
93.06525	1.2
93.07065	4.9
95.04969	6.1
95.08600	6.4
98.22588	3.7
105.03384	40.0
105.04479	1.6
105.07051	5.3
107.08616	5.6
109.06537	2.1
109.10178	1.6
111.04465	1.7
111.08099	2.3
115.05495	1.8
117.07033	4.1
119.08614	4.9
121.06544	2.7
121.10138	2.6
128.06219	2.2
129.07028	1.6
131.08589	4.7
133.06523	1.4
133.10155	2.3
135.08087	9.0
137.05995	1.6
143.08606	4.0
145.06535	4.1
145.10190	3.9
147.08064	3.0
147.11700	2.1
149.09634	3.3
155.08583	3.4
157.10167	3.0
159.08083	2.2
159.11736	2.1
163.07536	6.7
169.04977	1.5
169.10181	3.4
171.11768	2.9
172.08835	1.1
173.09712	4.1
177.09200	1.5
183.08101	2.3
183.11685	2.7
185.09653	1.3
187.07614	2.2
187.11191	3.0
189.09189	1.2
189.12714	1.6
193.10229	1.5
195.11778	2.2
197.13278	2.0
199.11295	2.6
199.14842	1.7
201.09145	2.0
205.08560	3.3
209.09740	2.2
211.05850	1.5
211.14815	1.4
219.08310	1.5
219.10091	2.5
219.11958	1.4
220.12595	1.3
221.13321	2.0
223.09720	4.7
225.12744	2.0
229.22838	1.3
251.10645	1.8
253.08691	1.9
267.06586	1.9
272.07114	1.7
279.12408	1.6
283.09955	2.4
285.07492	1.5
287.05634	1.9
303.05215	1.2
309.11273	2.1
310.08209	2.0
311.09186	3.1
313.18121	3.3
317.10251	2.5
323.09357	1.4
325.07297	2.4
325.10510	7.2
327.19638	4.1
333.09903	5.4
337.10825	3.2
338.08215	1.4
339.08615	2.4
340.12976	3.2
343.11942	2.2
353.10339	3.5
354.11020	2.7
355.11972	1.6
359.11365	1.6
368.12546	3.3
369.13159	6.0
371.11200	19.8
373.16928	1.4
385.12839	4.1
385.21384	1.8
386.13565	4.6
387.19046	1.7
401.15927	65.2
402.16531	5.1
417.24234	1.8
427.22818	1.5
443.29196	4.3
445.23807	2.8
447.14957	1.2
447.25357	5.9
455.22519	1.7
461.30521	5.7
465.25769	2.1
487.28320	34.4
488.28751	3.5
505.29535	35.7
523.24335	4.8
523.30206	100.0
524.30792	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36621	3.3
53.16617	4.1
55.05501	3.7
67.05480	5.4
69.40329	11.1
69.40743	13.7
73.53834	3.3
79.05483	5.7
80.89988	3.5
83.04978	4.1
88.13303	4.1
93.07037	5.9
93.16028	4.6
95.04945	8.7
95.08591	6.3
98.23327	5.7
99.04408	3.8
105.03403	35.1
105.07018	7.6
107.08587	6.6
117.07052	4.9
129.06911	4.6
131.08632	4.6
133.10233	4.2
145.06432	5.4
145.10118	5.5
155.08533	4.2
157.10153	4.8
161.09576	4.0
169.10103	5.9
209.09654	5.3
209.13229	4.2
223.07518	7.5
237.09050	4.9
249.09117	6.6
251.06969	4.7
260.61166	3.6
262.06271	5.2
263.06995	4.2
265.08514	8.0
266.09238	8.5
267.10364	4.5
272.56177	3.9
277.08728	6.0
278.09256	4.9
279.06573	11.0
281.11661	13.9
283.09570	6.2
293.07935	4.8
294.08884	10.7
295.09488	8.1
303.04932	5.7
309.11221	20.8
310.11932	5.3
311.09088	11.1
317.10086	4.5
323.09177	6.4
326.11539	5.9
327.12119	6.6
336.09921	4.6
337.10687	15.2
341.13818	20.2
343.11826	5.3
345.09695	25.4
351.12167	6.4
358.14056	10.0
369.13306	16.3
373.16586	30.6
383.14896	5.6
401.15939	39.9
442.99786	4.6
505.27563	12.3
523.29730	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	0.6
74.07843	0.4
85.02898	1.4
91.05477	0.5
105.03415	0.8
105.07022	2.9
108.86771	0.4
122.09679	1.2
123.04408	0.7
135.04428	0.7
135.08107	0.4
139.03938	0.7
163.03911	1.4
164.04305	0.8
179.05621	0.6
181.04962	0.8
182.05243	0.5
191.05537	0.4
219.10181	0.5
259.11536	1.2
275.07108	0.5
325.11832	0.5
335.09607	0.8
339.97443	0.4
343.12735	2.4
361.13626	0.5
375.11975	0.5
391.15720	25.1
392.16068	1.3
407.11902	0.7
407.98737	0.5
505.18063	0.8
523.19940	100.0
524.20361	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61344	7.6
57.03432	10.3
65.03915	8.3
71.31541	14.9
71.86661	7.6
85.02912	21.5
91.05467	28.8
94.06451	8.3
95.08634	8.9
102.18596	8.6
103.05459	22.2
105.07007	10.9
107.04949	69.5
107.05570	10.1
119.04886	8.6
121.06549	12.2
123.04427	17.5
131.04904	16.9
131.08560	12.9
133.10129	11.5
135.08026	18.3
137.05991	62.6
147.04381	31.3
149.05949	24.7
151.03899	97.0
151.04964	13.6
153.05412	15.3
159.07974	11.9
161.05989	34.1
163.07555	100.0
165.09081	13.0
167.07127	10.5
170.40926	9.4
175.07530	17.0
177.05446	11.1
178.06230	21.4
179.07030	15.6
181.08598	54.6
189.09148	14.1
191.07065	10.9
191.10657	10.8
195.06543	18.8
207.10185	21.2
209.11745	30.9
219.10225	38.9
224.32513	7.5
245.86852	8.2
306.85913	8.7
309.11542	10.2
315.38818	7.9
321.73468	9.2
329.13892	15.1
359.15082	13.6
361.16544	50.2
377.15961	27.8
479.11832	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2173
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01869	2.3
57.03442	2.5
64.76009	1.8
67.05481	1.9
69.03432	3.6
69.07060	1.7
69.10766	16.8
71.05022	1.9
73.02929	3.9
79.05486	2.6
81.07072	2.8
85.02918	4.8
91.05505	4.6
95.08607	2.1
97.02896	2.4
99.04426	2.4
105.07052	3.2
110.13338	1.5
115.05482	2.2
120.08131	2.3
127.03937	4.0
128.06248	2.8
129.07001	8.3
131.04956	2.1
131.08580	8.0
137.05992	6.9
141.07034	5.3
147.04358	2.3
157.06491	6.3
157.10030	2.0
158.07281	3.6
159.08086	6.6
161.05972	5.1
169.06503	2.2
171.08072	2.1
174.06746	16.8
175.07503	4.3
177.05815	1.7
186.19632	1.8
189.09105	29.3
191.10704	2.4
201.09084	10.0
202.12390	2.5
212.10735	3.1
218.08124	2.1
219.10164	100.0
220.10437	3.4
230.11775	4.0
258.11331	1.8
268.09814	1.8
284.09125	1.8
286.10745	5.6
301.11703	3.3
313.11816	4.7
321.94174	1.7
329.11365	17.6
343.12802	2.0
473.15100	3.4
491.16602	94.3
492.16934	6.5
523.19244	4.8
523.28162	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
55.01870	4.2
67.05468	2.7
69.03431	10.2
71.05009	2.5
71.29736	3.0
78.36999	2.0
79.05496	6.1
80.58189	2.3
81.03430	12.9
85.02917	10.0
91.05475	9.9
93.07021	2.1
94.04173	2.6
95.04974	9.2
97.02917	4.9
99.04451	2.4
103.05473	10.4
105.03379	2.0
105.07044	8.0
107.04961	9.4
109.02912	3.1
111.04438	2.3
115.05476	4.4
117.07009	5.7
119.04942	16.1
121.06521	4.0
122.03632	5.5
127.03932	8.0
128.06174	2.1
129.07002	5.7
131.04932	15.4
131.08543	2.1
133.06490	7.2
135.04414	4.1
135.08119	2.5
136.05238	2.1
137.01280	1.8
137.05975	100.0
138.06284	2.8
141.06960	3.8
143.08566	3.0
145.06473	7.7
147.04414	26.3
147.08020	3.6
149.05986	8.8
151.03934	3.8
151.07544	52.6
157.06502	3.5
159.08075	4.4
160.05220	4.1
161.05951	14.0
161.09627	5.7
162.06735	2.7
163.03877	4.4
163.07544	22.8
165.09135	6.0
167.07010	4.4
169.06494	5.3
171.08119	3.4
174.06828	2.5
175.07530	19.1
177.05525	10.0
177.09096	9.9
179.07039	25.9
179.10725	3.5
183.08072	3.3
187.07553	5.7
189.09148	14.9
191.07045	7.4
193.08646	4.0
201.09186	6.1
203.07014	5.9
205.08565	2.9
207.10164	15.4
213.09169	2.9
215.06943	4.3
217.08670	5.2
219.10202	6.8
229.08669	6.8
231.10342	4.0
233.08282	2.5
245.08231	3.9
247.09624	3.3
249.11285	5.9
255.10262	2.4
257.11743	2.5
261.11212	2.6
273.11188	7.1
275.12805	5.6
291.12283	10.8
299.13058	3.2
343.15442	5.8
351.60541	2.1
473.15631	2.6
505.17664	2.5
523.20386	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.0
55.01873	1.3
57.03445	0.4
65.03956	0.8
67.05498	0.7
69.03436	0.7
72.76594	0.4
79.05485	2.8
81.03421	1.0
81.07074	0.5
85.02899	1.0
91.05481	4.1
93.07047	1.2
94.04188	1.8
95.04969	1.6
97.02913	0.7
99.04462	0.6
102.04661	0.5
103.05467	41.3
104.05788	0.6
105.04520	0.6
105.07035	2.4
107.04953	14.5
107.08609	0.7
115.05463	2.7
117.07011	3.2
119.04967	1.9
120.05735	0.6
121.06502	2.9
122.03651	3.9
123.08071	0.8
128.06198	1.0
129.07014	1.1
131.04926	54.5
132.05301	1.3
133.06511	1.6
135.08052	3.9
136.05193	0.4
137.05974	38.3
138.06308	1.2
143.04980	0.4
143.08546	0.9
144.05653	0.4
145.06509	2.0
146.07233	0.5
147.04399	2.2
147.08095	0.8
149.05966	2.2
149.09602	0.9
151.03938	0.6
151.07549	11.0
157.06493	0.6
160.05197	0.8
161.05981	2.6
161.09564	1.0
162.06754	1.6
163.07535	100.0
163.63210	0.4
163.97372	0.4
164.08067	4.2
165.09123	1.0
171.08026	0.8
173.05986	0.7
175.07544	8.9
175.11133	1.2
176.07906	0.4
177.09105	38.9
178.09441	1.2
179.07054	2.0
179.10591	0.4
181.08601	5.6
189.09097	1.9
191.06973	0.7
195.10172	4.7
203.10657	6.0
207.10269	2.1
215.06859	0.4
216.22917	0.4
217.08760	0.4
219.10136	0.6
221.08174	0.5
221.11702	8.8
229.08664	0.4
273.11285	0.5
291.12256	0.6
299.12781	0.9
313.14368	0.8
331.15280	1.2
341.12372	0.4
361.13751	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35781	5.2
56.52642	5.1
69.03419	6.1
70.50509	5.2
71.01369	6.5
71.04987	6.3
78.49834	5.2
79.05482	15.0
81.07073	6.5
82.48909	4.7
85.02909	12.5
91.05495	16.9
95.04996	11.6
97.02885	6.7
103.05469	27.8
105.07044	12.5
107.04964	64.6
107.08633	5.7
115.05509	6.5
117.06992	7.6
119.04958	11.2
121.06507	11.7
123.04484	8.8
125.06048	8.0
131.04933	14.4
131.08572	8.0
133.06523	6.3
135.04469	12.4
135.08070	19.5
137.05981	48.2
147.04404	26.5
149.06013	23.3
151.03918	98.5
151.05086	9.0
151.07619	9.6
153.05458	14.4
159.08104	7.1
161.05983	32.0
161.09625	6.1
163.03954	8.2
163.07552	100.0
165.05513	8.9
165.09079	6.7
167.07118	6.7
175.07593	10.6
178.06293	13.2
179.07062	13.4
181.08586	51.1
187.07584	5.7
189.09146	17.5
191.07034	11.3
191.10707	16.8
195.06514	18.6
195.08102	6.2
196.07364	12.6
206.64557	5.1
207.10207	19.8
209.11746	25.0
219.10190	21.3
237.11189	11.5
245.27750	4.9
269.08298	5.5
297.11255	8.6
308.46667	5.5
327.12384	7.6
329.13913	8.6
343.15179	13.8
361.16611	40.7
377.15854	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2307
Annotation	Saucerneol E
Peak:m/z	Relative Intensity
65.07418	0.4
65.32681	0.4
69.07096	2.7
69.07504	0.6
102.33218	0.3
105.03402	1.2
181.10292	0.4
204.32486	0.4
285.07697	1.2
293.11719	0.4
298.08380	0.5
299.09210	0.7
315.12296	4.9
316.12796	0.4
341.10208	1.2
341.97461	0.4
386.16891	1.7
465.26538	0.5
477.19046	1.2
493.18393	1.7
505.29272	0.6
508.20776	1.0
523.23090	100.0
523.30164	7.9
524.23389	10.4
524.30548	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2324
Annotation	Tiegusanin C
Peak:m/z	Relative Intensity
50.01611	1.3
51.02382	2.0
53.03951	8.6
63.79242	0.9
69.03284	1.4
69.03561	1.0
69.03837	1.1
69.10235	4.1
69.10705	4.4
77.03947	1.6
81.03468	1.0
81.68362	1.0
83.26094	1.0
95.04965	10.9
99.54543	1.1
105.03395	100.0
105.04544	3.7
106.03739	2.5
110.02966	0.9
115.51112	0.9
115.82530	0.9
117.93156	0.9
126.98819	0.9
280.10916	1.4
292.11105	1.0
295.13403	1.6
308.10620	1.0
309.11520	1.0
318.10934	1.5
323.12842	2.2
332.12677	1.9
337.14511	3.6
338.15137	1.6
345.13458	1.5
354.14572	1.3
355.15387	1.2
369.17160	4.8
370.17670	5.2
386.17789	1.1
392.39023	1.0
401.19543	4.1
473.19498	1.5
474.20435	2.7
505.22357	11.5
506.22620	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.9
55.01874	5.5
55.05509	5.5
55.52165	3.4
59.38057	3.3
67.05492	10.9
69.03433	9.0
69.07064	8.6
69.35197	27.6
71.04987	5.1
73.02920	4.1
79.05492	23.6
81.03448	8.7
81.07050	23.8
82.81825	3.7
83.04981	16.7
85.02895	5.1
91.05479	38.1
93.07059	25.3
94.69882	4.2
95.04969	15.0
95.08609	13.2
98.23325	6.4
99.04469	4.7
103.05473	5.1
103.07077	3.6
105.07038	37.9
107.04954	10.7
107.08589	11.9
109.06516	13.5
109.10240	4.1
110.26376	3.9
111.04427	6.4
115.05396	8.0
117.07040	21.1
119.04943	9.5
119.08571	23.8
121.06491	18.7
121.10147	8.8
123.04401	5.5
123.08126	5.3
123.40865	3.8
128.06227	11.2
129.06999	24.4
131.08574	15.0
133.06464	18.2
133.10103	13.6
135.04420	9.1
135.08051	9.4
137.05969	8.7
139.07555	4.1
141.06990	16.2
142.07805	19.0
143.08551	36.2
145.06468	14.7
145.10118	15.4
147.08029	11.5
149.05992	18.3
149.09615	5.8
151.07524	7.0
153.05647	4.0
153.06958	8.1
154.07790	8.2
155.08551	61.0
156.09395	28.3
157.06464	13.7
157.10152	37.2
159.08081	21.6
159.11691	9.0
161.05974	10.5
161.09601	10.0
163.07578	7.6
165.07011	12.9
167.08548	16.0
169.10123	34.0
171.08061	10.6
171.11690	43.8
173.05917	4.8
173.09657	19.0
173.13274	5.1
174.02484	4.5
175.07605	8.5
175.11174	5.8
177.05592	4.5
178.07759	4.9
179.08563	14.2
181.04002	3.7
181.10127	19.4
183.08112	5.0
183.11667	9.3
185.09662	10.2
185.13319	4.8
187.07697	3.9
187.11145	6.6
189.09102	5.8
192.09409	6.0
193.10130	20.3
193.11778	3.6
194.10921	12.9
195.08070	14.1
195.11661	16.0
196.12413	5.4
197.09601	12.2
197.13255	8.0
199.11240	20.8
201.09093	10.7
203.08746	7.2
203.10696	6.7
205.10115	8.3
206.10980	6.7
207.08125	4.5
207.11679	19.9
208.37148	4.3
209.09674	8.6
209.13289	43.0
211.11243	8.7
211.14787	7.5
213.09085	8.5
215.10716	6.0
216.11411	5.0
217.10268	8.9
217.12300	13.4
219.11720	14.8
221.09627	9.0
221.13261	7.7
221.15367	7.6
223.11143	10.0
223.14746	3.9
225.12747	6.2
229.10172	7.3
231.11696	11.6
232.12471	4.4
233.09763	4.8
233.13297	8.5
235.11258	6.2
236.12001	8.0
237.12743	11.0
239.10803	5.7
239.16460	5.0
241.10139	5.8
243.11736	8.7
244.12558	5.1
245.13367	7.8
246.13986	4.7
247.14774	7.1
249.12764	7.9
253.12285	8.1
254.13124	6.5
255.13858	27.5
256.12305	6.8
256.14691	6.6
257.13162	8.9
257.15466	8.6
259.14737	6.5
261.12692	7.2
267.13870	8.1
269.13095	4.8
271.14755	10.8
273.12732	12.7
274.13513	5.0
281.12997	5.5
284.11685	4.4
286.13678	5.3
287.14301	6.9
289.15933	11.1
295.14899	4.8
299.14542	9.1
299.17911	8.8
305.15228	6.0
311.14258	6.4
311.17834	7.7
313.15695	5.3
315.17435	6.6
317.15393	9.4
319.17068	5.4
325.15744	4.9
327.17603	7.5
329.18970	9.1
331.16910	8.3
333.18256	5.5
341.18893	8.5
343.20602	9.1
345.18515	7.8
346.19397	4.6
347.20193	9.3
353.18747	3.9
357.18430	5.8
359.19968	5.8
363.19635	8.3
369.18314	5.9
371.19998	14.6
373.17633	4.8
375.19565	10.8
387.19547	16.8
389.21042	33.3
391.19266	9.1
399.19733	17.9
403.18610	5.2
405.20560	5.8
407.22223	5.3
417.20746	31.6
423.20654	4.2
435.21603	25.3
439.21024	8.7
449.23199	5.8
459.21646	13.0
477.22760	45.9
495.23920	8.3
505.22153	100.0
506.22717	10.6
523.22607	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	13.8
55.01870	12.0
55.05516	12.4
62.61552	3.4
67.05508	25.8
69.01527	36.1
69.03429	13.1
69.07052	5.5
79.05495	26.0
81.03427	10.9
81.07060	19.3
82.19193	4.7
83.04980	19.9
85.02920	4.6
91.05480	44.8
93.07051	38.9
93.68051	3.5
94.81873	3.4
95.04972	19.7
95.08604	27.5
97.02922	13.0
97.06605	4.7
103.05466	6.6
105.03388	5.4
105.07040	41.4
107.04979	7.8
107.08614	16.8
109.02883	11.0
109.06527	14.0
109.10191	5.9
111.04459	18.2
111.08101	7.6
115.03840	4.5
115.05473	12.3
117.07062	19.3
119.08597	25.8
119.83396	3.3
121.06512	26.1
121.10110	7.9
123.04414	9.0
123.08078	11.2
124.43797	4.4
128.06252	23.2
129.06984	21.9
131.04936	10.1
131.08571	25.0
133.06528	15.2
133.10193	9.7
135.04445	6.4
135.08087	16.0
137.05974	21.9
137.09563	4.7
139.07504	5.0
141.06987	12.3
142.07788	15.4
143.08575	29.6
145.06468	18.8
145.10115	22.2
147.04471	6.5
147.08037	39.6
147.11708	11.5
149.05997	13.6
149.09654	7.9
153.07025	10.2
154.07793	5.4
155.08586	16.4
157.06514	11.8
157.10135	17.4
158.07364	7.9
159.08069	35.8
159.11768	6.9
161.05983	14.2
161.09654	21.6
163.07603	11.4
163.11247	5.0
165.05617	5.1
165.06923	8.0
166.07785	5.7
167.07225	4.3
167.08598	14.1
168.09377	4.8
169.06487	6.7
169.10179	13.4
171.08047	24.5
171.11729	6.9
173.06029	9.6
173.09593	30.0
175.07516	40.6
175.11174	7.0
177.09129	8.9
178.07875	4.6
179.08595	6.7
180.09361	7.9
181.06480	7.3
181.10065	12.3
182.07256	4.1
182.10835	7.0
183.08058	16.8
183.11607	6.6
184.08981	5.1
185.06009	14.0
185.09622	29.3
187.07518	20.6
187.11166	7.3
189.09084	33.3
191.08591	5.1
192.09280	6.2
193.10191	9.4
195.08086	12.7
195.11760	10.7
196.08885	7.1
197.09648	16.2
197.13345	5.3
198.10481	5.4
199.07550	22.1
199.11215	13.9
201.09190	20.2
201.12857	4.5
203.08795	7.1
203.10648	7.5
205.10210	7.6
206.10985	4.7
207.10004	4.2
207.11806	7.7
208.08827	7.9
209.09625	18.7
209.13290	9.4
210.10402	11.0
211.07600	9.7
211.11183	22.8
211.14641	4.3
213.09108	15.8
213.12761	8.2
215.10677	8.5
217.08614	17.1
218.11021	4.8
219.08244	4.8
219.10005	6.1
219.11835	7.6
221.09666	9.7
222.10384	8.3
223.07472	3.8
223.11224	21.9
224.08319	6.1
224.11940	10.0
225.09119	10.9
225.12700	21.0
227.10727	17.7
230.10808	5.0
231.11847	7.3
232.08838	5.2
233.09683	5.4
233.13326	7.0
234.10452	5.3
235.11177	14.7
237.09087	9.0
237.12764	13.0
238.09834	7.6
239.10609	19.1
239.14310	6.1
241.12253	15.7
245.13266	5.6
246.10413	8.5
247.11188	7.8
249.12743	8.2
250.10004	4.5
251.10719	14.7
253.12308	12.9
258.10391	4.3
259.11188	4.9
261.09155	6.5
261.12793	11.9
262.13409	4.2
263.10684	7.8
263.14294	5.5
265.12308	12.4
269.11600	7.3
271.13431	7.6
272.11847	4.1
273.12738	5.1
275.10715	6.2
275.14398	4.8
276.11234	4.6
277.12326	13.1
279.10367	5.9
279.13580	5.9
281.11749	5.9
288.11453	4.8
291.13910	7.5
300.15237	4.4
301.12439	5.7
301.15884	5.0
303.04971	5.8
303.13907	5.3
305.11975	6.6
305.15295	7.5
313.15750	4.3
315.05362	4.1
315.13834	4.8
317.15216	5.6
327.13519	6.6
339.16306	6.5
349.14539	7.1
365.15405	5.6
367.15527	4.8
377.17255	4.6
379.51645	3.9
381.18701	7.1
385.21649	4.3
395.20071	12.8
399.19662	11.0
409.17731	6.7
413.21109	17.2
423.19388	17.0
427.18979	7.4
431.22162	9.4
441.20685	53.9
442.20944	5.1
443.22241	11.9
445.20041	5.0
451.18890	13.5
459.21548	65.0
460.21985	9.5
461.23456	5.6
469.20090	57.2
477.22586	39.7
487.21115	98.4
488.21375	6.9
505.14731	4.8
505.22058	100.0
506.22461	12.1
523.23254	32.4
523.27960	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.6
55.05510	8.1
57.03423	5.0
61.02906	3.4
67.05497	17.9
69.03423	11.6
69.07056	7.4
70.22125	9.8
71.04992	4.7
71.20766	3.2
73.02915	10.1
79.05495	11.8
81.03389	2.6
81.07055	33.5
83.04946	4.3
83.08606	3.6
85.02890	24.0
85.06541	32.3
91.05493	8.8
93.07043	32.7
95.08601	57.4
97.02914	15.9
97.06528	4.0
99.04393	6.2
99.08098	11.4
105.07029	22.2
107.08591	49.9
109.06559	5.1
109.10152	23.9
111.08092	3.0
115.03989	3.3
117.07012	3.9
119.08578	51.1
121.10151	16.4
123.08087	3.0
123.11710	8.3
125.09618	8.9
127.03922	8.2
132.64943	3.3
133.10103	30.7
134.10490	3.0
135.08049	9.8
135.11687	35.1
137.09610	15.5
138.09895	3.3
145.04967	7.9
147.11694	6.7
149.13252	6.3
155.10660	100.0
155.11630	3.8
163.06116	3.7
163.07541	8.9
163.14806	42.5
164.07144	2.8
164.15138	2.8
175.14796	52.7
181.04977	6.3
181.08635	5.8
181.15871	6.7
193.15872	76.5
194.16304	2.8
199.16959	10.0
211.16919	80.5
213.07582	7.5
227.08090	3.0
229.17981	59.7
239.11600	3.2
253.09799	4.4
268.11926	2.9
297.11945	3.4
301.11850	3.4
313.11826	6.5
355.12845	3.9
361.13910	4.2
427.14713	5.7
445.15872	10.0
463.16803	2.8
473.15411	10.7
487.17178	6.4
491.16437	7.8
505.18082	9.3
523.19049	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	14.4
56.94388	4.9
57.03423	9.3
67.05496	22.7
69.03406	13.2
69.07066	7.0
70.89790	10.6
73.02921	13.4
79.05502	7.8
81.03362	6.6
81.07050	37.7
83.04985	18.2
85.02892	33.3
85.06547	20.3
90.86524	4.9
91.05469	19.4
93.07036	22.1
95.04969	5.2
95.08606	61.5
96.08921	13.6
97.02908	13.8
99.04481	10.0
99.08065	16.5
103.37023	5.4
105.07008	27.0
107.08591	42.9
109.10144	23.4
115.03914	9.2
119.08591	64.9
121.10158	16.2
123.11739	7.5
125.09605	7.2
129.06992	7.7
131.08528	7.1
133.04942	5.4
133.10133	41.0
135.11681	33.0
137.09605	62.4
138.09958	11.7
144.08095	20.2
147.11696	12.1
149.13219	7.2
151.03842	6.6
151.07581	6.7
155.10640	91.8
163.14757	34.1
175.14807	59.3
176.15163	9.6
181.15994	5.2
189.09093	8.2
193.15868	100.0
194.16203	20.3
199.16916	18.4
201.09056	6.7
211.16933	85.4
212.17142	7.9
219.10136	50.7
229.17986	56.5
492.24670	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2753
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
50.40436	5.6
55.01876	7.6
55.05500	17.3
57.03424	7.9
60.48525	5.6
63.00727	4.9
67.05510	22.3
69.03442	12.0
69.07067	8.9
69.55962	4.5
69.61575	25.4
71.04990	8.4
73.02912	10.8
79.05482	10.8
81.07065	31.9
83.04988	15.3
85.02900	26.9
85.06541	19.3
90.79810	6.2
91.05485	8.1
93.07040	23.5
94.84397	5.4
95.08607	68.3
97.02917	12.2
97.06517	6.0
99.04446	9.7
99.08073	7.7
99.95077	5.4
105.07044	18.4
107.08592	41.0
109.10152	19.1
115.03917	9.3
119.08598	50.8
121.10165	10.7
123.04418	5.5
124.80093	5.7
125.09660	7.6
129.00548	4.7
133.04941	10.5
133.10114	32.1
135.11697	22.2
137.09628	57.0
138.09950	10.4
144.08128	8.3
145.05008	6.3
155.10672	76.9
163.06046	8.5
163.14790	30.8
175.14812	49.9
176.15176	13.7
181.15941	9.6
193.15894	100.0
194.16261	14.8
199.16997	16.0
211.16966	77.4
212.17062	5.5
219.10153	15.8
229.17940	51.9
270.47754	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.0
56.96560	1.6
57.07083	1.1
57.35276	1.1
59.04992	1.2
65.72641	0.9
66.49085	0.9
67.05499	3.7
69.07034	1.0
69.19787	9.1
77.84283	1.1
79.05518	1.6
81.07058	4.3
83.04977	2.4
91.05481	1.6
93.07053	3.7
95.04967	1.3
95.08624	3.9
105.03396	2.7
105.07043	3.0
107.08620	2.5
109.10171	1.5
111.08064	1.3
119.08586	2.5
121.10099	1.7
123.08028	1.1
131.08585	1.4
133.10162	2.1
135.11714	1.6
137.05992	1.1
143.08478	1.8
145.10106	2.7
157.10150	2.5
159.08134	1.5
159.11722	1.9
195.11542	1.1
214.75049	1.0
343.15842	2.0
376.16025	1.1
383.18668	1.5
505.26724	2.2
523.28235	100.0
524.28571	9.7
541.28400	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.0
55.05515	37.7
57.03421	4.7
62.55545	4.1
67.05509	18.4
69.03434	27.3
69.07080	6.6
69.13414	30.2
69.13805	7.5
79.05489	14.1
81.07057	21.1
83.04982	45.9
83.08622	17.6
85.02902	5.2
91.05467	22.7
93.07052	29.7
95.04964	16.8
95.08611	23.8
97.06544	7.1
99.04449	13.4
101.06019	13.0
105.07029	32.7
107.04977	5.5
107.08601	23.9
109.06525	20.8
109.10168	10.7
111.04425	6.0
111.08097	8.4
117.06986	11.9
119.05017	5.5
119.08585	26.8
121.06513	14.0
121.10138	14.0
123.04444	7.3
123.08078	54.2
125.09634	10.0
128.06213	4.9
129.06955	9.6
131.04811	4.6
131.08580	17.9
133.10130	12.6
135.08047	9.3
135.11754	5.8
137.05983	40.6
137.09659	12.1
139.07524	21.3
141.09129	6.0
143.08606	17.5
145.06503	4.5
145.10123	16.8
147.08060	14.2
147.11719	11.3
149.09641	16.9
151.03845	4.6
151.07562	16.2
153.05557	5.9
155.08531	6.6
156.09293	7.6
157.10135	19.9
159.08008	6.5
159.11707	11.9
161.05939	6.8
161.09662	20.0
163.07614	4.0
163.11244	6.1
165.09088	19.3
167.07167	6.6
167.08537	6.3
169.10132	46.0
170.10738	4.7
171.08066	11.0
171.11693	8.2
172.08655	4.5
173.09695	5.9
173.13252	6.0
175.07597	6.9
175.11237	11.9
177.09157	6.7
179.07117	7.0
179.08583	6.6
181.10109	10.0
182.18336	4.1
183.11723	9.6
185.09657	9.8
185.13300	6.8
187.11250	17.3
189.09158	12.3
189.12817	4.8
193.10178	5.1
195.11743	15.1
197.09579	5.3
201.09158	5.6
201.12756	6.7
203.10658	11.3
205.12268	8.6
207.10027	4.4
207.11783	5.2
208.12277	5.3
211.11330	5.3
213.12823	8.9
215.14262	5.6
217.12285	8.1
221.11583	7.5
223.11267	4.7
223.14868	4.6
225.12822	6.6
231.13728	4.3
233.13315	4.4
249.11038	3.7
251.14256	8.2
255.14104	4.6
263.18054	4.6
263.28116	4.1
267.12277	30.2
275.14297	5.8
295.16864	5.4
323.20270	4.8
423.25436	6.0
431.20493	6.0
433.23770	5.9
441.26620	7.4
451.24704	35.5
469.25754	100.0
470.26593	6.7
487.26886	38.9
523.28522	16.7
523.31592	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3031
Annotation	Azadironol
Peak:m/z	Relative Intensity
69.08540	3.4
69.08944	0.7
79.05495	0.9
83.04960	0.4
83.64730	0.4
95.08556	0.4
107.08685	0.4
114.62534	0.4
117.18320	0.4
121.06515	0.4
133.10088	0.6
198.35516	0.4
210.13570	0.4
282.72510	0.6
465.22635	0.5
487.28287	1.5
498.93088	0.5
505.29358	11.9
506.29651	1.2
523.30402	100.0
524.30676	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.25457	0.6
69.21798	2.4
69.22221	2.9
71.61539	0.7
74.42886	0.8
95.04967	1.4
105.03384	9.6
106.03733	3.3
108.35455	0.6
115.47492	0.7
147.31912	0.8
148.69928	0.6
175.66916	0.6
178.72791	0.9
210.90999	0.7
211.07619	1.1
215.70532	0.6
251.07106	1.1
252.07603	0.8
255.06355	0.9
263.06589	0.7
267.10141	1.5
269.08145	1.3
277.08621	0.7
281.08081	1.2
283.05963	1.0
284.06671	1.1
285.07620	1.6
295.09497	1.8
297.07449	1.2
297.10980	1.4
298.08295	2.4
299.09143	1.5
302.11209	0.8
313.10678	1.4
314.11456	1.5
315.12149	2.1
321.07401	0.9
323.09027	0.8
325.10678	0.9
329.10126	1.9
338.07666	0.9
341.10214	3.8
347.14038	1.1
351.08386	2.6
353.13800	1.3
357.13275	1.0
371.14795	1.2
383.14850	3.0
386.17316	0.8
392.12131	1.8
401.15891	2.6
403.25992	5.4
423.14160	33.1
424.14389	2.4
447.25058	5.7
461.30325	4.4
465.26144	7.3
479.31290	2.9
487.28241	2.4
505.22433	1.1
505.29211	15.5
506.29480	1.2
523.19843	34.3
523.22455	44.5
523.30255	100.0
524.19708	4.2
524.22546	4.5
524.30652	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3032
Annotation	Azadironol
Peak:m/z	Relative Intensity
53.03933	0.6
55.05500	1.1
56.04633	0.5
60.66893	0.5
64.03415	0.5
67.05511	1.6
69.07048	0.6
69.23064	0.8
69.23473	3.9
79.05502	1.2
79.28751	0.5
79.76501	0.5
81.07050	1.2
83.05004	1.2
91.05497	1.6
93.07037	1.5
95.04974	0.6
95.08620	1.6
98.98483	0.7
105.03425	1.2
105.07027	1.7
107.08614	0.9
109.10165	0.8
119.08598	1.4
129.07114	0.5
131.08554	0.7
133.10222	0.7
143.08591	0.9
145.10182	0.5
147.08105	0.6
152.07892	0.5
155.08594	0.7
156.11490	0.5
159.11722	0.6
161.13333	0.6
167.08615	0.6
174.24384	0.6
179.14363	1.4
265.08054	0.5
277.21674	1.0
287.35999	0.5
337.17999	1.0
349.17813	1.2
351.25433	1.6
443.29303	0.9
447.25134	9.6
459.18320	0.6
461.30707	1.0
487.28479	5.8
505.29272	22.4
506.29681	1.9
523.30426	100.0
524.30933	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3034
Annotation	Azadironol
Peak:m/z	Relative Intensity
51.71939	0.7
53.03932	1.0
55.05516	1.4
56.19954	0.8
62.31753	0.9
69.18527	3.4
69.18954	2.6
72.86727	1.0
81.07059	0.8
82.07372	1.0
91.05524	1.0
95.04982	1.5
95.08607	3.1
105.03405	8.3
105.07032	1.9
106.03700	2.3
107.08603	1.6
109.06478	1.2
109.10148	0.9
119.08572	1.8
121.10163	1.3
123.61569	0.8
133.10107	1.5
137.05980	1.6
145.10115	1.9
150.70514	0.7
171.11635	1.0
173.09555	1.3
199.07501	0.9
205.12247	3.7
226.69524	0.9
263.14413	0.9
315.12186	2.0
346.17346	0.9
386.17044	1.0
401.15817	1.1
423.14111	3.0
443.29138	7.9
445.23740	1.1
447.24667	3.6
448.25543	1.0
461.30225	11.0
462.30304	1.1
465.25836	2.5
487.28180	50.8
488.28339	5.5
505.29428	44.2
506.30081	4.2
523.22705	35.9
523.29968	100.0
524.23193	4.3
524.30487	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.3
55.01887	2.4
55.05511	11.7
57.03439	3.3
57.07080	3.1
65.03950	3.1
67.05505	19.7
69.03433	4.0
69.07064	16.3
69.18037	15.5
71.05007	2.2
79.05492	19.4
79.05906	1.9
79.61584	1.9
81.07056	33.8
83.04977	4.3
83.08634	4.3
91.05486	31.8
93.07040	29.4
95.04986	6.6
95.08607	37.0
95.09161	3.2
97.02922	4.3
97.06561	4.9
98.00785	2.0
98.22614	4.3
99.04454	5.9
103.05475	3.1
105.03432	3.7
105.07022	39.2
105.07665	3.1
107.08598	26.5
109.02927	2.4
109.06498	9.8
109.10154	9.6
111.04466	5.4
111.08096	8.8
115.05473	4.2
117.07024	18.2
119.08583	38.9
121.06537	4.9
121.10168	20.1
123.08090	6.2
123.11739	6.9
123.94639	1.8
125.37653	1.8
127.03947	2.3
128.06250	10.7
129.07002	15.4
130.07820	2.8
131.08568	27.8
133.06584	2.6
133.10132	23.0
135.08037	4.3
135.11690	5.2
137.05986	18.7
137.09677	1.8
139.07590	4.3
139.11115	2.3
141.07014	11.4
142.07787	13.5
143.08559	43.6
144.09315	4.1
145.06516	3.2
145.10130	29.5
147.08078	9.1
147.11746	6.1
149.09650	4.7
153.07039	5.3
154.07759	5.0
155.08553	34.2
156.09329	9.5
157.06531	2.4
157.10130	35.0
158.10858	4.2
159.08086	8.0
159.11693	21.8
161.09589	9.9
161.13274	3.5
163.07634	2.9
163.11194	2.9
165.07050	6.7
165.09148	2.1
166.07790	4.2
167.08531	10.6
168.09386	7.5
169.10127	42.7
170.10913	7.5
171.08096	5.8
171.11684	27.4
173.09714	6.4
173.13255	10.2
175.07593	3.0
175.11165	3.5
177.09105	2.5
178.07809	3.2
179.08580	9.5
179.10725	2.9
180.09381	6.2
181.10106	20.4
181.11681	2.0
181.12227	2.0
182.07301	3.0
182.10983	8.3
183.11690	32.6
183.13171	3.0
184.12418	3.4
185.09610	15.3
185.13245	20.5
187.11240	5.4
187.14865	3.8
189.12779	2.9
192.09424	4.5
193.10141	15.6
194.10867	5.1
195.11703	23.2
196.12518	6.4
197.09599	14.4
197.13286	24.5
198.14093	3.6
199.11255	7.5
199.14883	7.4
201.12762	9.0
203.08759	2.5
203.10759	4.0
205.10234	5.4
205.12334	4.9
206.10986	5.7
207.11772	14.9
208.12468	2.8
209.09750	8.0
209.13228	27.5
210.06816	6.4
210.13940	4.1
211.07599	2.8
211.11206	11.1
211.14796	17.2
213.09251	2.2
213.12762	9.5
215.10759	6.0
215.14349	3.1
216.09480	2.3
217.10254	3.5
217.12315	3.6
219.11786	4.4
219.13849	5.8
220.12537	4.1
221.09760	3.3
221.13264	15.5
222.14020	3.3
223.11299	7.3
223.14778	16.7
224.15378	2.9
225.09148	14.1
225.12712	10.0
225.16501	7.3
227.07043	2.0
227.10670	4.3
227.14371	7.4
229.12367	6.5
230.10918	2.1
231.11836	2.6
231.13914	6.0
233.13318	6.6
233.15414	3.2
234.13866	2.2
235.11348	3.4
235.14806	12.2
236.04674	2.0
236.15680	2.9
237.12825	7.1
237.16364	11.9
238.06354	5.9
239.07060	2.0
239.14424	6.2
239.18040	2.1
241.12260	4.5
241.15965	4.5
242.05754	2.2
243.13818	4.5
245.13287	3.9
245.15492	11.3
247.11346	2.0
247.14958	7.3
249.12846	2.9
249.16557	4.6
250.17296	2.1
251.14310	14.2
251.17995	5.1
252.07578	2.8
253.08490	12.2
253.15924	9.5
253.19676	2.5
254.05666	3.9
255.06558	2.1
255.14014	3.6
257.15527	5.7
259.14847	3.1
261.16446	3.4
263.14395	4.4
263.18018	5.2
265.16058	8.3
265.19492	3.8
266.05862	2.1
267.06601	2.5
267.17542	5.2
269.08054	2.3
269.15421	12.2
271.06036	2.4
271.16904	12.5
273.13187	2.3
273.16266	2.3
275.14526	2.0
275.18051	3.6
277.15961	3.0
279.14301	1.7
279.17566	6.3
279.20807	1.9
281.08090	25.2
281.15613	2.7
283.09601	2.5
283.17072	6.1
287.05624	5.2
287.17908	3.5
289.19641	6.3
291.17502	2.9
293.18866	3.1
295.09741	2.7
295.17023	5.2
297.18622	4.9
297.64609	2.3
298.08353	2.9
301.07278	2.7
305.18988	4.0
307.20532	18.1
308.21021	2.2
309.18610	3.2
311.08990	8.6
312.10101	2.5
313.07364	2.5
313.10626	4.0
315.08649	10.9
318.07394	2.5
321.18573	2.4
323.20200	3.8
325.21631	22.0
335.20258	2.5
335.23856	7.5
343.11722	34.4
351.23318	4.2
353.24744	13.7
357.13251	3.0
361.21475	2.5
364.24042	2.4
365.25073	2.3
371.20087	3.2
373.16937	2.9
383.14902	5.5
389.21127	2.1
417.28241	3.5
423.14148	94.8
424.14426	9.6
427.26465	7.2
445.27402	14.7
461.30371	3.0
463.28726	18.5
505.29486	17.1
523.30560	100.0
524.30994	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03914	0.5
50.80576	0.5
53.03924	0.8
55.05509	3.2
56.51781	0.5
57.03430	1.4
57.07078	5.1
65.03925	0.6
67.05505	9.6
69.07059	2.2
69.41808	2.4
69.70715	0.6
69.71461	0.5
71.04981	1.2
71.08638	2.7
79.05495	3.9
81.03415	4.0
81.07056	6.3
83.04978	1.0
83.08615	3.6
85.02892	1.2
85.06523	0.6
85.10175	2.1
91.05484	4.2
93.07033	3.4
95.04966	1.9
95.08607	5.4
97.10173	0.8
98.22661	0.7
105.03400	2.9
105.07018	3.1
107.05006	0.8
107.08585	2.4
109.10155	6.7
111.00583	1.3
111.08075	1.2
111.11746	0.7
119.08584	2.1
121.10123	1.8
123.08056	0.5
123.11753	0.7
129.06987	0.9
131.08507	1.2
133.10110	1.5
135.11636	1.0
137.09598	0.7
147.11656	1.7
157.10135	1.1
159.11710	0.9
161.13371	0.6
173.11780	1.2
175.11145	1.2
193.12251	4.1
194.26248	0.6
208.36018	0.6
211.13214	2.8
229.14343	4.2
239.23665	0.7
267.15921	1.8
313.27441	2.4
326.44611	0.5
335.25726	3.1
461.33807	0.7
489.36215	1.3
505.32870	61.8
506.33163	5.7
523.33832	100.0
524.34192	10.5
524.41614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.3
57.03434	0.9
57.07076	3.9
60.67116	0.5
67.05511	2.9
69.07069	1.2
70.36432	0.5
71.08648	3.2
74.41998	0.5
77.57776	0.5
79.05486	1.8
80.84940	0.5
81.03416	4.4
81.07067	3.0
83.04971	0.5
83.08617	2.1
85.02885	0.7
85.10178	1.7
87.16328	0.6
91.05484	2.7
92.58122	0.5
93.07026	2.5
95.04963	1.6
95.08599	2.7
96.82882	0.5
97.10130	0.8
98.22620	1.1
105.03413	2.0
105.07039	2.2
107.08584	1.2
109.10155	1.8
111.08113	0.5
114.82343	0.5
119.08590	1.6
121.10123	1.0
123.08051	0.5
123.11682	1.0
129.06978	0.6
133.10110	0.7
135.11705	1.4
147.11629	0.7
157.10152	0.8
175.11237	1.0
178.47023	0.6
193.12241	3.2
204.46114	0.5
211.13359	1.3
239.23773	0.7
267.15826	4.9
267.17944	0.5
288.10089	0.6
303.51675	0.5
313.27347	3.8
315.09048	0.5
389.19650	1.3
401.19623	1.4
419.28955	0.5
446.66656	0.6
505.32855	65.9
505.38489	2.6
506.33215	6.4
523.33948	100.0
524.34320	10.4
546.00854	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70736	0.9
55.05506	0.9
57.07067	1.0
66.84653	0.8
67.05506	2.2
71.08623	0.8
71.31539	1.0
75.98483	0.8
79.05496	1.4
81.07063	2.2
87.14240	0.9
91.05490	2.4
93.07031	1.0
95.04981	1.6
95.08606	2.1
104.15823	1.0
104.16583	0.8
105.03396	8.4
105.07049	1.5
107.08613	2.3
119.08570	1.1
121.10162	1.1
123.08018	0.8
131.08562	1.5
133.10153	1.3
135.11696	1.4
136.11986	0.8
193.12308	0.8
196.51685	1.0
356.34375	1.0
440.75211	0.9
461.33881	4.3
505.22015	1.3
505.32916	33.5
506.32974	2.2
523.33948	100.0
524.34247	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88805	19.3
55.05503	56.5
57.40812	16.7
61.02919	23.7
67.05508	47.1
69.03423	55.7
69.07070	37.1
70.62579	17.9
70.62919	41.7
73.02908	85.5
75.48683	16.0
79.05502	37.5
81.03378	27.4
81.07054	95.9
83.04978	38.8
85.02893	60.4
91.05494	27.1
93.07031	55.1
95.04958	24.8
95.08612	100.0
97.02920	48.6
105.07030	53.8
107.04976	25.2
107.08595	39.9
109.10161	51.5
111.04441	37.3
111.08092	21.7
115.03927	20.8
119.08565	42.4
121.06466	24.0
121.10135	48.3
123.11640	33.3
127.03880	35.0
131.08588	40.2
133.04942	32.0
135.11708	25.7
137.05942	51.7
137.09665	18.1
139.03952	20.0
145.04982	32.2
145.10155	33.2
147.08095	23.4
157.10181	21.3
159.08110	30.5
159.11737	31.0
161.09532	21.2
165.09148	44.9
173.09628	22.3
189.09047	23.8
235.11066	32.1
307.26492	27.7
331.50977	20.9
413.57208	22.1
432.89450	19.5
459.80307	19.9
505.22012	44.1
523.23102	90.1
524.22565	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95224	2.7
53.03935	10.9
54.51284	2.9
55.05510	25.2
56.05058	3.0
57.03444	21.8
57.07076	70.2
59.06121	11.2
59.85420	3.0
60.05655	21.7
60.08170	15.3
67.05506	47.4
69.03423	6.1
69.07057	24.4
70.50635	7.2
71.04983	5.1
71.07352	5.8
71.08636	51.2
77.03953	4.2
78.22684	3.5
79.05494	24.0
81.03422	88.2
81.07057	60.0
83.04987	19.1
83.08626	35.8
85.02917	17.0
85.10168	19.9
86.09713	58.9
86.42482	3.1
91.05486	38.2
93.07040	22.5
95.04977	37.8
95.08601	49.9
97.02893	4.5
97.06551	6.2
97.10159	10.9
104.10044	4.9
104.10744	97.6
105.03401	80.1
105.04486	3.8
105.07040	29.8
107.05000	4.8
107.08599	11.6
109.10168	26.3
110.22610	3.9
111.08097	8.0
119.08579	23.2
121.02847	21.0
121.06474	4.7
121.10137	11.3
123.08055	4.9
123.11746	8.0
124.99992	33.8
129.06978	10.2
131.08577	13.8
133.06461	4.7
133.10126	10.0
135.11642	3.5
137.09624	4.6
137.13263	3.4
142.07741	4.8
145.10092	4.3
147.08095	7.5
147.11703	10.7
149.09633	6.9
157.10133	10.6
165.12721	4.2
169.14691	3.7
174.65776	3.1
175.11241	10.9
184.07343	100.0
193.12251	61.9
193.14009	4.3
203.17902	3.7
210.11469	3.0
211.13271	34.2
221.06068	2.9
239.23692	5.8
267.15912	65.8
305.94315	3.1
313.27359	55.2
314.27792	5.6
369.17017	5.1
370.17542	3.7
378.72818	3.4
458.69928	4.1
505.22360	12.1
505.38995	28.0
506.35947	9.7
523.40002	50.0
524.36847	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30867	0.9
53.03948	4.2
55.01875	2.7
55.05235	1.1
55.05510	24.8
57.03436	10.6
57.07075	62.4
65.03939	2.3
65.34184	0.7
67.05502	46.3
69.03439	3.8
69.07069	19.2
70.46956	0.8
71.04988	5.6
71.08631	44.4
77.03893	0.7
79.05489	29.3
80.05865	0.8
81.03416	56.9
81.07055	55.7
83.04981	12.4
83.08618	42.0
85.02905	31.9
85.06548	2.3
85.10175	24.0
91.05476	31.6
93.07043	19.2
95.04970	26.2
95.08604	50.5
96.08920	1.2
97.02901	2.0
97.06539	3.4
97.10162	11.2
99.08094	1.1
99.11739	1.8
100.11300	0.9
103.05428	0.8
105.03391	21.7
105.04501	1.8
105.07026	22.7
106.07365	1.2
107.04950	6.8
107.08584	8.2
109.06501	5.7
109.10159	21.3
111.04448	1.9
111.08087	13.8
111.11744	2.4
113.06033	3.7
113.13321	1.0
115.05494	1.6
117.07024	1.9
119.08578	19.9
121.06523	0.9
121.10151	10.5
123.08082	2.1
123.11697	10.1
125.05991	0.9
125.09684	1.1
125.13309	1.3
129.07008	10.1
131.08560	11.0
133.06514	2.6
133.10115	9.2
135.11726	1.3
137.13257	4.6
142.07790	2.2
145.10167	1.9
147.08072	2.4
147.11674	13.8
149.09602	6.2
151.14891	1.1
157.10110	12.3
165.12738	2.9
165.16466	1.0
173.91934	1.0
175.11183	17.2
176.11653	0.9
177.05484	1.3
193.12236	69.9
194.12555	2.2
202.53059	0.8
211.13286	67.8
212.13751	2.6
221.22714	1.6
239.23697	11.8
267.15863	5.9
313.27295	6.7
337.14716	0.9
505.22223	1.9
505.39093	2.4
523.33435	3.5
523.39954	100.0
524.40210	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	5.8
55.05508	20.2
57.03443	16.2
57.07075	54.0
60.73824	2.3
62.95519	2.0
65.03943	3.6
67.05508	31.1
67.60990	2.3
69.07063	12.4
70.72556	2.0
71.04986	3.2
71.08624	32.6
71.29914	2.8
79.05489	16.2
80.64964	2.4
81.03417	100.0
81.07059	39.9
82.03742	3.5
83.04980	6.8
83.08624	31.0
84.04762	2.1
85.02909	7.7
85.10180	23.3
91.05466	23.0
93.07037	13.3
95.04971	24.3
95.08613	33.2
97.02893	2.1
97.06516	3.9
97.10169	6.4
105.03394	4.8
105.07027	17.7
107.04966	7.6
107.08603	6.0
109.06500	2.4
109.10162	9.5
111.08096	7.5
115.59016	2.5
119.08588	15.4
121.06486	3.4
121.10128	7.2
123.11707	4.7
124.20547	2.4
129.07007	9.8
131.08556	8.6
133.06464	3.1
133.10088	4.8
135.11687	2.8
145.10115	3.9
147.08067	2.3
147.11729	10.4
157.10098	11.5
163.11220	3.4
169.46411	2.2
175.11273	11.5
193.12244	54.6
211.13354	18.5
212.86101	2.5
227.12752	3.8
228.13200	3.5
239.23773	8.4
249.14842	3.8
267.15909	83.3
268.16299	2.9
313.27359	82.0
313.30981	5.1
314.27698	4.9
406.68698	2.2
487.26617	2.4
505.38931	38.0
506.39301	2.8
523.39886	36.8
524.40369	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.9
55.01872	1.4
55.05513	22.1
57.03438	10.1
57.07080	57.0
59.06116	1.3
60.05648	1.5
65.03962	1.7
67.05507	40.0
68.48205	1.1
69.03444	2.8
69.07073	11.3
71.04999	5.4
71.08636	38.6
79.05054	2.3
79.05489	22.2
81.03420	53.2
81.07060	47.0
82.03765	1.4
83.04981	11.3
83.08624	35.7
83.09121	2.1
85.02909	26.4
85.06533	2.1
85.10190	19.4
91.05482	24.8
92.07235	1.1
93.07044	16.9
95.04974	21.4
95.08611	40.3
97.02888	3.0
97.06544	4.5
97.10175	12.1
98.22791	7.3
99.08144	1.3
99.11740	1.4
105.03411	1.6
105.07028	21.6
107.04971	4.0
107.08614	7.0
109.06536	5.1
109.10168	19.0
111.04484	2.2
111.08080	10.9
111.11732	2.6
113.06036	2.6
115.05421	1.2
115.29344	1.2
117.07024	1.0
119.08579	16.6
121.10155	9.6
123.08109	2.7
123.11722	8.3
129.07031	8.8
131.08574	10.1
133.06566	1.6
133.10115	8.6
137.09760	1.3
137.13327	2.5
142.07819	2.5
147.08099	2.3
147.11676	14.0
149.09627	7.3
151.14879	2.1
157.10153	12.3
165.12819	2.9
171.62259	1.1
175.11189	12.9
193.12245	52.1
194.12672	1.5
211.13300	55.2
239.23743	8.1
267.15891	8.1
313.27429	7.1
412.97635	1.4
506.82370	1.2
523.39978	100.0
524.40381	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08202	0.5
52.86003	0.6
53.03946	3.0
54.32894	0.6
55.01871	2.5
55.05240	0.8
55.05510	21.7
57.03438	7.7
57.07076	52.3
58.07408	0.9
59.05000	1.1
60.12688	0.6
60.14634	0.6
61.66571	0.6
65.03942	1.6
66.51659	0.5
67.05504	38.7
68.05845	0.7
69.03425	3.6
69.07067	16.5
71.04995	5.9
71.08630	37.6
71.30190	0.9
72.08994	0.7
73.06569	0.5
77.03901	0.8
79.05491	22.0
80.05857	0.9
81.03416	56.4
81.07053	44.7
81.82628	0.6
82.03792	0.9
82.07387	0.9
83.04975	10.0
83.08617	35.5
84.08968	1.0
85.02901	26.5
85.06557	2.4
85.10178	20.7
87.04469	0.9
91.05479	27.5
92.05807	0.8
93.07047	16.3
95.04967	23.0
95.08607	40.7
96.05311	0.9
96.08931	0.8
97.02895	2.9
97.06515	3.6
97.10167	10.2
98.93726	0.5
99.08109	0.8
99.11734	1.4
102.04197	0.6
105.03400	2.7
105.04495	0.8
105.07030	19.9
106.30629	0.5
107.04958	4.5
107.08593	7.0
109.06533	4.0
109.10153	16.7
111.04459	2.5
111.08079	9.4
111.11726	2.9
113.06017	2.6
113.13269	0.9
115.05464	1.8
117.07030	1.1
119.08579	17.0
120.08896	0.8
121.06507	1.2
121.10144	10.9
123.08080	2.2
123.11700	8.2
125.09652	1.9
129.06995	7.7
131.08572	9.3
133.06496	2.6
133.10149	8.2
135.11688	1.2
137.05977	2.5
137.09618	2.2
137.13277	2.6
139.14844	0.6
142.07777	2.6
145.10153	1.6
147.08067	2.7
147.11681	14.2
149.09599	6.2
149.13245	0.7
151.11119	0.7
151.14821	0.8
157.10117	11.9
158.10400	0.8
163.11209	1.1
165.12738	2.9
165.16377	0.8
170.32149	0.7
175.11172	14.4
190.87296	0.6
193.12236	57.0
194.12665	2.0
203.40047	0.6
211.13287	59.0
212.13690	2.7
221.22781	1.3
239.23708	8.7
249.14931	1.1
267.15866	7.2
285.17038	0.8
313.27362	6.6
505.38745	2.8
523.39923	100.0
524.40198	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
54.20984	0.8
55.01876	17.3
57.03440	28.2
59.04993	2.8
60.04524	0.8
61.02932	12.0
69.03432	32.4
70.63765	0.8
71.01358	6.3
71.04987	1.7
72.04515	2.3
73.02922	32.4
79.05473	1.4
81.03411	5.2
81.07053	3.3
85.02907	100.0
86.03192	1.2
87.04477	5.8
91.03960	5.3
91.05469	1.4
93.03403	1.2
97.02893	49.6
98.22618	2.0
99.04459	4.0
103.03957	3.9
105.07054	1.5
109.02873	6.4
109.06570	1.0
111.04457	1.0
114.08401	0.9
115.03931	23.0
121.35438	0.9
125.01538	16.1
125.05967	1.2
127.03922	27.5
131.04961	1.3
132.06560	4.1
133.04967	39.6
133.06459	1.6
134.05276	1.0
137.05974	11.4
139.02985	1.0
143.08543	1.1
144.06573	2.6
145.04958	51.2
147.11658	0.9
149.34734	1.0
150.07629	8.6
151.03946	2.0
151.07539	2.1
153.05470	3.3
162.07558	2.7
163.06030	14.0
165.09131	2.5
167.06241	24.5
168.06512	0.8
171.08096	1.2
180.08699	3.5
203.10680	3.5
213.06802	5.7
221.11754	5.7
223.05966	2.6
232.79944	0.8
241.06961	4.0
259.08136	2.6
281.58615	0.9
327.15872	2.2
345.16861	3.3
357.10870	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01873	11.7
55.05500	2.7
57.03437	19.3
59.05001	2.1
60.04501	1.5
61.02616	1.3
61.02927	20.9
67.05491	1.1
69.03431	32.3
69.41394	7.8
71.01334	5.2
71.04990	2.6
73.02916	100.0
74.03265	1.4
79.05493	1.7
81.03391	6.3
81.07053	2.9
83.04979	1.9
83.11713	1.2
83.32772	1.3
85.02905	92.6
86.03211	1.4
87.04474	6.4
91.03931	3.0
91.05457	3.0
93.07049	1.6
95.08587	1.8
96.04491	2.5
97.02889	61.5
98.55047	1.3
99.04443	5.4
103.03933	3.6
105.07026	3.3
107.05003	1.3
107.08592	2.4
109.02871	7.9
109.06518	1.4
111.04468	1.7
115.03927	39.4
121.49173	1.1
125.01548	14.7
127.03915	27.4
130.00246	1.4
131.08524	1.2
132.06595	1.5
133.04965	44.1
133.06471	2.3
136.27109	1.1
137.05978	10.2
144.06566	5.1
145.04958	44.2
150.07655	8.1
151.03943	1.4
151.07529	3.3
153.05435	2.6
156.06564	1.5
162.07576	4.4
163.06026	11.4
165.09100	8.3
167.06209	17.6
167.89397	1.2
171.08041	2.1
180.08600	6.4
188.08333	1.3
193.04962	1.9
195.08064	1.5
201.09128	2.3
203.10701	4.0
211.05794	1.5
213.06787	2.8
221.11708	4.1
223.05984	4.6
226.19069	1.3
233.11801	1.4
241.07108	8.6
257.83801	1.3
259.08163	4.2
273.27914	1.2
294.11890	2.4
295.09863	1.2
301.93954	1.1
327.09991	1.5
327.15863	1.4
345.16837	1.5
417.13495	1.3
500.30975	1.3
507.27225	1.4
524.28931	1.4
525.28857	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
55.08150	1.2
57.03436	12.3
59.04994	1.1
60.04507	1.7
61.02917	5.3
65.03938	2.2
67.05502	1.8
69.03429	12.0
70.43858	2.5
70.44232	2.1
71.04979	1.1
71.07268	1.1
73.02916	27.0
76.61442	1.1
79.05500	4.2
81.03405	3.4
81.07053	5.3
85.02903	18.4
87.04428	2.4
91.05469	4.2
93.03396	1.2
93.07072	2.0
94.04209	2.1
95.04981	2.2
95.08603	2.1
97.02893	19.7
105.07082	2.0
107.04964	2.5
107.08656	1.1
109.02892	2.5
109.06490	8.0
109.10154	8.0
115.03934	11.9
117.62515	1.2
119.08576	1.4
121.02856	1.4
121.10129	1.6
127.03922	4.8
133.04971	5.5
133.10147	1.6
136.75476	1.2
137.05986	4.3
137.09612	11.5
139.03922	4.0
144.06584	3.2
145.04938	5.5
149.02332	2.0
149.09665	2.3
154.06252	30.7
155.10786	2.8
159.11757	2.0
162.07661	2.6
165.09143	5.8
166.02518	1.7
169.08618	2.6
177.12753	3.6
180.08711	2.6
181.04956	55.2
183.10132	4.1
195.13785	2.6
201.11206	10.2
213.07579	100.0
214.07863	3.6
216.56152	1.2
223.89932	1.5
247.50682	1.2
252.31305	1.1
273.10934	1.4
298.19434	1.1
345.14328	1.2
362.25116	1.3
385.20389	1.2
518.51111	1.5
524.20337	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	1.7
51.02382	3.8
53.67690	0.3
58.47967	0.3
63.87695	0.3
69.57691	1.3
78.03455	51.5
79.03793	0.9
84.93066	0.3
96.04497	6.3
98.23262	0.4
98.72297	0.2
101.65410	0.3
102.79151	0.3
103.70340	0.2
106.02917	100.0
107.03233	1.8
108.04512	0.5
119.06071	1.0
124.03872	0.3
134.85417	0.4
227.07021	0.5
233.10008	0.3
241.08513	0.6
243.06766	0.3
251.10658	0.3
252.78931	0.3
255.06413	0.6
257.08206	0.7
258.08905	0.4
262.10025	0.3
263.10693	0.3
264.11664	0.3
267.06436	0.4
268.10718	0.3
269.07962	0.5
271.05966	0.4
271.09488	0.4
271.85852	0.3
273.07562	0.3
278.09351	0.3
279.10150	0.9
280.11044	0.5
280.83105	0.3
281.07935	0.4
282.08807	0.5
283.06152	0.4
284.06522	0.3
284.10474	0.5
285.07574	0.4
286.08344	0.8
287.09000	0.3
291.09979	0.7
292.10947	0.4
293.11719	0.7
294.12582	0.5
295.09961	0.5
295.13251	1.4
296.10345	0.5
297.07794	0.7
298.08328	0.7
299.09061	0.6
301.07306	0.5
301.10678	1.0
302.07819	0.5
303.08420	0.5
305.11758	0.4
306.12573	0.4
307.09583	0.8
307.13049	0.6
309.11087	0.6
309.14746	0.7
311.09253	0.5
311.12708	0.4
312.09634	0.7
313.10654	1.2
314.11478	0.4
315.08661	0.3
315.12219	0.6
316.09366	0.5
317.10043	1.1
318.10928	1.0
321.11108	0.9
322.11859	1.1
322.15298	0.5
323.12653	1.7
324.13501	0.4
325.14093	0.4
326.14871	0.5
327.12213	1.5
329.10205	0.9
331.11789	1.4
332.12537	1.8
333.13107	0.4
336.13718	0.4
337.14316	2.4
338.15067	1.6
339.12134	0.9
339.15860	0.5
341.17603	0.7
343.11777	1.0
344.12442	1.0
345.13327	0.7
353.13834	1.6
353.17514	0.3
354.14575	1.2
355.15329	1.0
358.14154	1.9
359.14783	0.8
367.15332	0.9
368.16095	1.2
369.17047	5.7
370.17682	2.2
371.14743	1.1
372.08661	0.3
384.19141	1.0
385.16284	1.7
399.17993	1.5
400.18799	5.8
401.19626	2.5
418.12714	1.0
422.12015	0.6
436.13898	2.1
437.14600	1.3
438.15372	0.9
442.16394	0.5
450.15472	2.2
451.15952	0.5
459.16785	0.5
460.17267	0.6
460.63571	0.3
464.17130	3.8
465.17880	0.3
474.19070	2.7
475.19870	3.3
491.19409	1.3
498.66159	0.3
506.21747	30.9
507.22101	3.1
524.22736	7.0
525.22791	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.0
55.05516	6.0
57.03416	5.0
57.07079	3.9
57.30860	2.7
58.53063	3.0
67.05492	6.8
69.07063	7.1
79.05473	4.3
81.07042	6.9
82.54251	2.9
83.08665	4.0
93.07108	5.8
95.04964	10.4
95.08604	11.7
97.10170	3.2
98.22579	7.0
105.02705	6.1
105.03391	100.0
105.07021	3.2
106.03716	6.7
109.10142	6.7
115.84628	2.9
119.08543	6.4
121.10182	4.9
124.48312	2.9
176.61668	3.2
184.07318	6.6
185.07796	3.4
239.31021	3.4
251.07164	3.0
256.26434	3.5
323.12891	3.2
339.28860	31.4
370.30081	3.1
379.83215	3.2
385.16263	8.4
461.27158	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31097	3.9
57.03429	5.6
59.57445	3.5
69.03484	4.0
71.04999	32.5
72.08092	3.8
73.94376	3.7
85.02909	38.0
91.05494	12.5
94.79336	3.9
95.04974	6.0
98.23374	7.0
102.23813	3.7
103.05473	5.9
119.04973	11.6
122.03625	4.8
129.05489	16.1
129.06970	9.1
131.04930	9.3
137.02483	3.9
137.05971	69.2
147.06436	5.1
149.06004	10.0
151.07536	71.1
161.06026	10.1
161.09604	6.0
163.07530	19.2
164.09210	11.1
165.06880	4.0
165.09096	4.1
167.08510	6.0
175.07585	10.1
177.09122	24.5
180.61993	3.9
189.09068	19.1
193.06508	4.1
193.10013	4.4
195.08096	14.4
207.10339	3.9
223.07591	5.3
225.09245	5.7
227.10704	21.7
253.08597	10.1
253.12305	9.8
255.10225	11.8
281.11606	4.2
285.11218	14.1
287.12854	26.2
299.12393	6.0
313.14359	28.2
331.15375	100.0
332.15921	4.9
343.15424	7.8
367.15500	6.9
477.21591	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
69.03414	1.1
79.05517	4.2
91.05476	4.6
95.04975	3.2
103.05479	5.7
105.04430	0.9
105.07050	3.6
107.04961	71.8
108.05337	1.1
110.46966	0.8
115.05460	8.1
117.07034	3.2
131.04939	3.0
133.06511	1.6
135.08058	8.2
137.05986	1.7
145.06537	1.2
145.07661	1.5
149.06001	1.8
161.09703	1.2
163.07550	100.0
164.08337	8.5
171.00006	0.8
181.08510	1.1
194.54483	1.0
203.10683	15.7
293.71442	1.0
309.18701	0.8
317.44833	0.8
327.16003	10.4
344.44699	0.8
526.16888	0.9
526.24652	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
57.03440	0.8
58.48798	0.7
61.02931	1.1
65.03932	4.4
67.05484	2.1
69.03428	4.2
69.07076	0.8
69.41623	4.4
73.02926	1.0
76.91351	0.8
79.05486	6.1
81.07063	16.5
83.04995	1.1
85.02905	7.1
86.13212	0.7
87.29690	0.7
91.05480	11.0
92.45214	0.7
93.03400	7.3
93.07031	2.5
94.04183	1.4
95.04939	2.4
95.08595	1.1
97.02897	2.9
97.06515	1.0
98.22677	1.4
103.05480	2.1
105.07030	16.3
107.04945	3.8
107.08559	1.3
109.06515	6.4
109.31396	0.7
110.03651	1.3
111.04433	7.0
115.05449	1.8
116.06220	0.8
117.07014	4.4
118.49414	0.7
119.04936	4.5
119.08574	1.7
120.56860	0.7
121.06507	1.6
122.03661	3.5
123.74848	0.7
124.05227	1.2
125.05999	10.7
127.03871	1.1
128.06210	2.8
129.07028	4.0
131.04921	2.2
131.08583	5.6
133.06485	11.4
135.04425	0.8
135.08118	1.1
137.05977	100.0
138.06245	1.7
139.07521	0.8
141.06969	2.4
142.07753	1.6
143.08553	10.2
145.05009	1.7
145.06483	5.1
145.10118	2.6
147.08052	1.2
149.05998	0.9
151.03923	18.3
151.04993	1.2
151.07541	30.2
153.05469	23.4
153.06787	0.6
155.08525	1.7
157.06511	1.2
157.10089	2.6
159.08046	6.7
160.08762	0.9
161.05948	1.0
161.09631	1.6
162.06766	3.1
163.07533	1.7
165.05592	1.0
165.06967	1.1
165.09111	21.7
166.07747	1.2
167.08525	1.6
168.09319	1.2
169.10071	1.6
171.08043	10.5
171.11725	1.8
172.08781	1.1
173.06068	0.9
173.09584	2.0
175.07520	1.1
177.09131	2.8
179.08589	0.9
181.08585	3.7
181.10129	2.2
183.08051	0.8
185.09628	2.2
187.07639	0.9
187.11194	2.1
188.08357	6.5
189.09085	2.1
191.10672	2.5
193.10062	1.5
197.05836	0.8
197.09576	1.3
199.07439	0.8
199.11182	2.0
201.09120	1.5
201.12738	1.1
203.10672	29.9
204.11055	1.2
209.09631	1.4
209.33421	0.7
213.09116	0.9
221.11711	40.9
222.12114	1.8
225.09293	0.9
227.10611	2.8
235.11215	1.8
239.10582	0.9
245.11763	1.7
249.12865	0.9
267.13873	1.4
295.13260	2.7
327.15912	14.1
333.14746	0.8
345.16956	19.2
346.16995	1.1
359.14822	1.1
415.19177	1.4
421.20151	1.7
433.20001	1.8
443.18698	1.0
451.21420	1.4
461.19473	3.0
479.20651	0.8
489.18442	1.1
525.21204	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25381	2.1
57.03444	3.0
69.03455	2.0
70.45535	3.9
70.45864	3.2
71.04984	3.2
73.02900	1.6
75.04474	6.7
81.07031	2.0
85.02900	3.5
91.05493	6.0
93.07036	1.9
94.04205	1.8
103.05444	8.6
105.07040	2.1
117.07045	3.3
119.04933	2.4
121.06516	3.6
122.03649	3.4
123.08115	3.0
129.06982	2.3
131.04939	15.0
133.06482	2.2
135.08028	2.9
135.11682	2.0
137.05984	35.1
143.08586	2.6
145.06416	2.1
149.05954	3.2
149.42535	1.6
151.03909	4.2
151.07553	15.9
154.03139	1.9
161.05972	9.5
162.06610	2.2
163.07567	38.3
165.11526	1.5
171.08118	2.8
175.07576	5.1
176.07851	1.7
177.09122	100.0
178.09503	3.6
181.04892	3.7
183.13124	1.9
188.90778	1.7
189.09123	4.5
195.10121	2.7
203.06970	3.0
221.11739	15.5
223.07520	2.1
227.10641	5.0
265.09085	2.0
287.12811	6.1
299.12842	1.8
313.14368	7.0
331.15411	20.6
332.15485	2.2
525.22534	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.3
58.09864	3.4
71.05000	38.8
72.12247	3.7
83.17240	3.4
85.02902	51.1
91.05492	15.8
95.04967	6.5
98.23327	8.7
100.11340	3.7
100.81033	3.2
109.06448	3.6
119.04931	10.7
125.06026	3.5
128.67245	3.2
128.91483	3.4
129.05476	17.7
129.06982	6.9
131.04927	5.5
135.08047	3.9
137.05972	83.6
138.54622	3.2
146.08154	8.4
147.06548	10.1
149.05965	8.1
151.07542	76.1
153.65805	3.3
157.06517	8.1
161.06042	10.3
163.07509	23.2
164.09201	12.3
165.07025	7.4
165.09180	4.3
167.08614	4.4
175.07585	12.0
177.09126	27.5
189.09113	23.9
195.08073	16.9
195.10039	4.8
219.10190	4.4
221.06062	7.5
221.09651	6.9
221.11580	3.7
223.07567	10.4
225.09183	5.4
227.10637	20.1
237.09146	4.0
240.07855	5.3
253.08417	7.5
253.12289	13.6
255.10118	23.0
269.08124	4.0
281.11642	4.7
285.11359	16.1
287.12836	41.3
313.14377	35.2
331.15411	100.0
331.19315	3.8
332.15546	7.4
343.15570	5.2
367.15244	4.3
550.47247	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34542	0.6
52.97482	0.6
53.03942	1.0
55.01873	1.2
57.03426	1.8
61.02922	0.7
67.05500	1.5
69.03431	4.9
70.33397	1.8
71.05009	1.4
73.02917	1.3
79.05487	2.0
81.03413	1.7
81.07072	4.1
83.04970	1.4
85.02425	1.1
85.02902	13.0
91.05484	4.3
93.07035	1.7
94.04191	1.5
95.05022	0.8
95.08610	2.2
97.02901	4.7
97.06527	0.9
103.05471	7.5
105.07046	6.0
107.04945	2.1
107.08600	1.7
109.02882	0.8
109.06525	2.2
109.10161	1.6
113.09656	1.1
115.05441	0.8
117.07011	2.7
119.04992	1.0
119.08580	1.0
121.06503	3.7
121.07238	0.6
121.10178	1.3
122.03644	4.6
123.04469	1.0
123.08035	1.1
123.11691	0.9
127.03927	1.9
128.06232	1.1
131.04941	10.4
131.08578	1.6
133.06488	22.0
135.04391	0.7
135.08040	7.8
135.11652	1.5
137.05975	100.0
138.06340	2.1
143.08557	2.1
145.04973	2.9
145.06496	3.1
147.08043	2.0
149.05978	2.6
151.07533	6.8
157.06483	1.5
159.08061	1.5
163.07535	34.4
164.07884	1.3
165.09142	2.7
171.08069	1.6
173.09552	0.8
175.07523	2.4
177.09114	1.7
177.16393	1.8
180.08676	1.2
187.07512	0.9
187.11214	0.8
188.08296	0.6
189.09116	2.6
195.17447	1.5
203.10683	2.4
213.18532	3.0
235.11258	0.9
263.10681	1.9
295.09946	1.1
295.13257	17.3
327.12088	1.2
327.15891	23.9
328.16251	1.2
345.16916	2.0
352.49319	0.8
366.86719	0.7
385.85138	0.7
507.19891	1.0
524.32471	1.3
525.21802	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34542	0.6
52.97482	0.6
53.03942	1.0
55.01873	1.2
57.03426	1.8
61.02922	0.7
67.05500	1.5
69.03431	4.9
70.33397	1.8
71.05009	1.4
73.02917	1.3
79.05487	2.0
81.03413	1.7
81.07072	4.1
83.04970	1.4
85.02425	1.1
85.02902	13.0
91.05484	4.3
93.07035	1.7
94.04191	1.5
95.05022	0.8
95.08610	2.2
97.02901	4.7
97.06527	0.9
103.05471	7.5
105.07046	6.0
107.04945	2.1
107.08600	1.7
109.02882	0.8
109.06525	2.2
109.10161	1.6
113.09656	1.1
115.05441	0.8
117.07011	2.7
119.04992	1.0
119.08580	1.0
121.06503	3.7
121.07238	0.6
121.10178	1.3
122.03644	4.6
123.04469	1.0
123.08035	1.1
123.11691	0.9
127.03927	1.9
128.06232	1.1
131.04941	10.4
131.08578	1.6
133.06488	22.0
135.04391	0.7
135.08040	7.8
135.11652	1.5
137.05975	100.0
138.06340	2.1
143.08557	2.1
145.04973	2.9
145.06496	3.1
147.08043	2.0
149.05978	2.6
151.07533	6.8
157.06483	1.5
159.08061	1.5
163.07535	34.4
164.07884	1.3
165.09142	2.7
171.08069	1.6
173.09552	0.8
175.07523	2.4
177.09114	1.7
177.16393	1.8
180.08676	1.2
187.07512	0.9
187.11214	0.8
188.08296	0.6
189.09116	2.6
195.17447	1.5
203.10683	2.4
213.18532	3.0
235.11258	0.9
263.10681	1.9
295.09946	1.1
295.13257	17.3
327.12088	1.2
327.15891	23.9
328.16251	1.2
345.16916	2.0
352.49319	0.8
366.86719	0.7
385.85138	0.7
507.19891	1.0
524.32471	1.3
525.21802	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78937	1.8
55.05510	7.2
57.96596	2.3
63.38421	2.2
67.05516	12.0
69.03419	7.6
69.07071	8.1
71.04986	2.6
71.30225	2.1
79.05492	12.9
81.07057	29.0
83.04978	4.5
83.08643	4.0
85.06533	2.6
91.05468	17.4
93.07055	18.6
95.04968	6.3
95.08604	10.6
97.02892	7.5
97.06542	5.2
99.04449	3.8
103.05444	3.4
105.07020	19.4
107.04987	4.7
107.08578	14.8
109.06515	15.7
109.10140	3.0
111.04421	5.9
111.08076	12.8
115.05460	2.7
117.07030	7.7
119.04915	2.3
119.08575	11.9
121.06480	11.8
121.10146	6.0
123.04462	5.8
123.08064	3.2
123.11786	2.4
125.06002	6.7
128.06198	3.8
129.07031	6.2
131.04958	2.1
131.08546	10.2
133.06516	8.3
133.10146	10.6
135.04478	2.6
135.08047	5.6
135.11681	4.5
137.05974	40.5
138.63501	2.0
139.07538	11.4
143.08513	6.0
145.06474	6.1
145.10126	16.7
147.08064	4.3
147.11702	5.6
148.18416	2.0
149.05992	7.1
149.09621	5.8
151.07550	5.4
153.05511	4.0
155.08559	5.8
157.10188	5.3
159.08095	6.3
159.11725	6.2
161.09615	8.1
161.13318	3.1
163.07529	15.9
163.11165	2.8
167.07034	40.1
167.08376	4.5
169.08627	3.8
169.10049	2.1
171.08038	4.2
171.11684	5.2
172.08649	2.4
173.09624	6.4
174.10103	2.8
175.07626	3.1
175.11186	3.4
177.09152	5.2
179.08597	3.0
179.10733	3.0
181.10101	3.7
183.11734	2.7
185.09558	3.3
185.13141	2.0
187.11258	5.0
189.09113	5.6
189.12718	3.8
191.10661	10.6
193.10150	3.5
195.11748	2.6
197.09705	4.0
199.11143	4.8
201.09142	4.7
203.10707	3.6
204.09297	2.4
205.12126	3.2
209.11700	4.7
211.11067	3.1
212.11842	2.5
231.13779	4.9
233.15488	3.8
265.10696	62.7
266.11240	2.8
291.17703	2.3
297.14908	4.8
299.16287	2.2
309.18567	4.4
315.15793	2.3
327.19611	7.9
327.54056	2.1
337.17780	4.7
345.20349	3.0
355.18970	13.8
372.97925	2.3
373.20090	9.4
397.18478	3.4
407.22501	4.7
425.23126	8.0
435.21475	10.4
443.24225	5.2
453.22720	26.1
471.23764	100.0
471.30594	4.9
472.23978	7.3
489.24759	57.8
490.25156	6.0
524.28735	7.4
525.23157	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.3
55.05510	4.7
57.03433	9.4
57.07092	1.8
61.02917	6.1
66.14521	1.3
67.05504	4.7
69.03433	15.7
69.07063	11.8
71.01368	2.1
71.30708	1.7
73.02918	20.1
79.05507	7.3
81.03431	3.2
81.07047	9.6
82.83759	1.1
83.08606	7.7
85.02908	46.3
85.03428	2.6
87.06663	1.2
91.03954	1.5
91.05484	3.8
93.07053	15.7
95.08612	29.4
97.02896	26.7
97.10155	3.0
99.04500	1.6
103.03949	2.5
105.07053	3.9
107.08598	32.7
108.08163	1.5
108.08951	1.5
109.02871	4.8
109.10143	6.7
110.09662	1.8
115.03935	8.9
121.10146	59.9
122.10511	1.6
123.11707	3.1
127.03893	12.0
130.01437	1.1
131.04916	1.5
133.04979	14.9
135.11684	13.6
137.05962	2.6
137.13237	19.3
138.09177	2.4
145.04967	12.4
148.97617	1.4
149.13213	3.8
150.07585	2.1
151.03883	1.6
155.89050	1.4
161.06087	1.2
163.06017	7.5
166.08665	5.3
177.16396	100.0
178.16721	4.4
184.88304	1.1
195.17445	23.1
223.05949	2.2
241.07112	1.9
253.09732	1.4
259.07956	2.9
265.09680	1.8
277.58780	1.2
295.10544	2.2
339.09781	1.8
371.12213	1.8
464.18060	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.3
55.73088	0.3
57.03438	3.8
59.05000	0.5
60.57011	0.3
61.02927	1.3
67.05524	0.4
69.03429	5.4
69.07030	0.3
70.57288	0.9
71.01340	1.0
71.04990	68.3
72.04514	0.5
72.05327	0.8
73.02911	4.5
79.05502	0.4
81.03414	0.5
81.07047	1.4
85.02905	10.9
87.04455	1.0
91.05483	1.1
93.07018	0.6
95.04984	0.6
95.08669	0.4
97.02887	5.4
98.81852	0.3
103.03928	0.6
105.07030	0.6
109.02869	0.8
109.06489	0.3
109.10130	0.4
113.09666	0.8
114.05446	0.3
115.03933	3.2
115.05381	0.4
118.98982	0.3
119.08563	0.4
123.11705	4.0
126.04757	0.4
127.03907	2.4
127.11217	0.3
131.08549	0.4
132.06560	1.3
133.04977	3.3
133.06544	0.9
137.05956	1.8
139.11151	1.1
141.06947	0.5
145.04926	2.2
145.06512	0.7
145.10155	0.5
147.08061	0.5
149.05998	0.5
150.07631	1.6
155.08556	0.4
156.95595	0.3
158.42465	0.3
159.08046	3.0
161.05951	0.4
163.06010	0.8
171.08041	0.6
173.09706	0.8
175.07474	0.7
181.15715	0.3
185.09558	0.6
186.06798	0.6
187.07600	0.9
189.09164	0.6
195.17441	100.0
196.17776	4.0
197.09607	0.5
199.11263	0.4
201.09108	1.2
203.10701	0.5
213.18486	30.4
214.18878	1.3
219.10124	0.4
225.09111	0.6
225.11946	0.3
227.10593	0.4
236.37027	0.3
241.07040	0.5
250.72800	0.3
251.10571	0.4
259.07938	0.4
283.09930	0.3
329.14722	0.4
375.15530	0.4
389.17413	0.6
396.50854	0.3
399.15860	0.7
407.18481	0.3
417.16876	3.6
421.20456	0.3
435.12372	0.5
435.17978	5.3
447.17938	0.8
453.19019	0.9
461.19687	0.6
489.19223	2.5
507.20178	2.8
525.21112	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01875	5.1
55.05502	2.9
55.67503	0.9
57.03432	7.2
57.67728	0.8
61.02923	4.8
67.05506	3.3
69.03429	11.5
69.07059	6.4
70.41961	2.3
71.01367	1.5
71.04998	1.7
72.04512	1.2
73.02917	10.2
79.05495	1.7
81.03422	2.0
81.07053	11.3
83.08619	3.1
85.02904	28.5
87.04449	1.3
91.05479	2.4
93.07054	4.7
95.08603	20.1
96.08913	1.2
97.02894	15.4
97.10132	1.3
99.04417	1.4
99.08108	2.2
103.03930	1.3
105.07021	1.1
107.08591	17.5
109.02900	2.9
109.10146	5.0
115.03920	6.0
119.08584	1.2
121.10147	29.2
122.10455	1.1
123.11727	1.0
125.09623	0.9
127.03918	7.0
132.06532	1.4
133.04962	8.2
133.10132	1.2
135.11714	6.1
137.13255	4.6
145.04945	10.0
149.13289	2.6
150.07611	1.8
163.06026	3.2
175.14793	1.5
176.15152	1.0
177.16385	100.0
178.16699	5.4
195.17444	33.0
195.19254	1.6
196.17801	2.1
211.16881	1.2
216.30797	0.8
223.05887	0.9
259.08124	1.7
390.48270	1.0
525.23248	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01860	0.7
55.05520	0.6
57.03437	5.8
59.05001	0.9
60.04514	1.2
61.02911	0.5
65.11129	0.4
67.05519	0.8
69.03431	15.0
70.18121	1.1
70.18463	0.8
71.01318	0.6
71.04991	63.8
72.05325	0.7
73.02917	5.4
79.05508	1.2
81.03407	0.9
81.07056	7.4
85.02904	13.6
87.04472	8.5
91.05482	1.8
93.07042	0.6
95.04964	0.5
97.02885	11.3
99.04414	0.7
103.05467	1.3
105.07019	1.7
107.04955	0.7
107.08594	0.6
109.02905	0.5
109.06523	2.0
109.10133	0.7
113.09625	0.7
115.03934	11.9
115.05421	0.5
117.07030	1.5
119.08581	0.8
121.06477	0.7
123.11715	4.3
127.03876	1.5
127.11141	0.7
128.06284	1.1
129.07013	1.8
131.04961	1.0
131.08589	1.1
133.04967	10.0
133.06487	1.0
135.04512	0.5
135.08051	0.8
137.05977	9.3
139.11139	0.7
141.06995	0.9
142.07777	0.7
143.08540	1.5
145.04982	1.6
145.06407	0.9
145.10081	0.7
147.08076	0.6
149.05995	0.7
150.07634	3.2
151.07523	1.6
154.07903	0.5
155.08562	1.0
157.10133	0.8
159.08025	1.0
161.09590	0.5
163.06091	0.5
163.07547	2.2
165.09132	1.6
169.10130	0.6
171.08046	1.4
173.09615	1.4
175.07440	2.5
175.11176	0.5
177.09135	1.3
181.10158	1.2
185.09619	0.9
187.07698	0.6
187.11140	1.1
188.08249	0.7
189.09090	1.3
191.07018	0.5
195.17441	100.0
196.17780	4.2
197.09521	0.5
199.11220	0.7
203.10645	1.9
209.09853	0.6
213.18492	32.0
214.18817	1.9
221.11604	0.8
227.10617	0.6
277.12109	0.8
299.12723	0.5
327.15878	0.8
345.16925	9.0
417.16980	0.8
421.19995	1.2
431.18649	0.7
433.19794	0.8
435.17737	0.7
449.19183	1.1
451.59589	0.8
489.19070	0.7
503.24179	0.6
507.19818	1.3
525.21185	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.4
55.05513	3.8
57.03437	15.7
57.07075	3.5
59.05012	2.8
61.02923	6.7
67.05506	7.7
69.03429	20.7
69.07061	17.9
71.01343	2.7
71.04989	32.8
73.02921	31.4
73.85432	1.7
79.05504	4.8
81.03419	6.2
81.07067	10.1
83.04976	2.3
85.02905	50.1
87.08118	2.5
91.05475	3.6
93.07050	2.1
95.04928	1.9
95.08611	2.8
97.02895	29.2
97.06538	3.2
97.10178	6.1
99.04462	3.3
103.05469	4.3
104.10742	1.7
105.07038	3.9
107.04922	2.6
107.08596	2.1
109.02887	4.7
109.10150	33.0
111.11732	9.4
113.09631	25.8
115.03922	13.6
119.04960	1.8
121.10145	2.9
122.03681	2.0
123.04417	2.4
123.11719	10.1
127.03906	17.8
127.64378	1.7
129.06964	2.5
131.04974	2.1
131.08585	3.1
133.04947	18.7
133.06502	7.5
135.04443	4.8
135.08051	3.4
137.05971	39.6
137.74582	1.6
137.85780	1.7
138.06337	5.8
139.11189	12.8
145.04950	16.9
149.05965	2.1
150.07617	4.4
151.03905	21.2
151.04971	3.3
151.07570	3.1
157.12227	10.2
161.05981	3.1
163.06024	6.7
163.07553	12.9
165.09082	2.6
169.05005	2.4
175.07628	2.4
177.09169	5.8
189.09131	2.4
195.17439	42.5
201.09117	2.3
203.10687	3.6
207.06403	2.2
213.18489	100.0
214.18831	4.8
217.08597	3.5
222.10204	1.8
223.06023	3.4
239.58977	1.9
241.06917	2.6
259.08099	4.3
295.13458	4.1
313.09189	2.3
316.38843	1.7
327.15924	7.0
345.16788	2.1
359.15732	2.4
375.00754	1.7
465.76617	2.0
525.21198	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28899	1.1
51.68378	1.2
55.01881	5.9
55.05516	6.6
57.03450	8.5
59.05000	1.3
61.02930	2.3
67.05502	2.2
69.03434	13.2
69.07070	9.2
71.01360	2.1
71.04993	2.1
71.14909	1.6
73.02921	9.5
79.05492	3.6
81.03443	1.4
81.07059	10.3
83.08631	4.8
85.02914	25.6
85.03437	1.5
85.06534	2.4
91.05486	2.2
93.07043	7.9
95.04937	1.5
95.08616	18.8
96.04513	1.4
97.02899	14.5
97.10159	3.0
99.04464	1.4
99.08089	15.3
100.94286	1.3
103.03957	1.2
105.07092	3.1
107.08607	18.3
109.02907	2.4
109.10160	6.7
111.08103	5.0
111.11743	1.4
113.09660	1.6
115.03950	8.0
116.19383	1.2
121.10152	32.1
125.09630	13.8
127.03925	9.2
133.04974	9.7
135.11697	8.1
137.06012	4.5
137.13264	5.2
145.04994	10.1
149.13264	4.3
150.07655	1.5
163.06035	3.9
163.07486	2.0
166.08582	2.1
177.16394	100.0
178.16739	4.6
189.09154	1.7
193.04935	1.2
195.13794	2.5
195.17450	45.0
196.17891	1.2
203.10751	1.9
213.18507	23.7
214.19046	1.5
259.08151	2.1
287.12903	1.5
525.22668	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
56.05025	1.2
57.07073	3.0
58.06593	1.4
58.09698	0.3
58.77589	0.3
59.07385	0.5
60.05648	7.2
60.08163	18.3
67.05506	0.6
69.11862	1.1
69.12274	2.0
71.07368	6.3
71.08617	1.6
74.75504	0.3
75.61427	0.3
81.07061	0.8
83.08581	0.4
84.53569	0.3
84.65222	0.4
84.78613	0.3
85.10180	0.8
86.09702	52.5
87.10033	0.8
95.08610	0.7
98.98467	4.6
102.15969	0.3
104.10740	100.0
105.03387	2.0
105.11075	1.5
106.03726	0.8
125.00001	27.4
146.78871	0.3
148.54280	0.3
163.01567	0.9
177.90475	0.3
184.07335	98.3
185.07683	1.4
217.38831	0.3
258.11014	1.0
315.08359	0.4
341.30460	1.3
506.35980	8.0
524.37115	22.7
525.37207	1.5
539.22314	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	3.6
55.05510	18.8
57.03443	16.6
57.07078	12.9
59.04995	7.0
67.05506	100.0
69.03393	2.7
69.07069	16.9
71.04997	6.0
71.08630	7.3
71.30212	4.9
79.05502	29.2
81.03416	7.8
81.07056	44.3
83.08653	14.3
85.02909	3.7
85.06547	4.5
85.10162	3.2
87.04486	3.8
91.05477	21.5
93.07051	29.0
95.04970	6.7
95.08610	35.9
97.10182	6.4
105.07013	11.3
107.08599	17.8
109.10161	72.3
111.08118	2.8
113.77274	3.5
119.08577	10.3
121.10139	10.5
123.11685	5.1
131.08563	6.0
133.10133	10.0
135.11691	7.4
145.10097	4.8
147.11708	6.9
155.10681	5.0
168.55975	3.4
173.11778	27.1
173.13155	4.9
193.12152	5.5
194.12691	3.5
220.96696	3.0
229.14333	70.0
261.22122	12.6
317.24838	3.8
335.25766	66.4
336.26151	4.9
343.30936	3.2
443.35168	9.9
489.29358	4.0
489.35767	40.3
490.35568	5.0
507.30753	5.6
524.34198	10.9
524.40289	12.5
525.31598	34.1
537.66962	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	0.5
69.07616	1.8
69.08036	1.9
73.25807	0.4
73.96321	0.4
93.09929	0.4
98.22630	0.8
105.03449	0.4
111.36833	0.4
140.75816	0.4
150.44704	0.4
159.11909	0.4
179.08577	0.8
189.07036	1.4
190.07716	1.3
190.78688	0.4
191.08438	0.6
194.07332	0.4
202.07738	1.1
203.08601	1.5
204.09332	0.4
205.06474	0.7
205.10141	1.3
206.28912	0.5
207.08031	2.6
208.08653	1.1
209.09622	0.9
215.08614	1.1
217.06853	0.5
218.07214	3.0
219.07986	4.6
220.08746	1.5
221.06015	1.1
221.09550	2.1
222.10316	1.9
223.07463	1.0
224.08226	1.0
231.08133	1.3
232.08893	1.6
233.05898	1.3
233.09631	6.2
234.06778	0.8
234.10420	1.7
235.07538	9.6
235.11227	1.4
236.08293	1.3
237.09027	1.4
237.12775	1.1
239.07059	0.4
242.47343	0.5
245.09485	0.6
246.06795	1.8
247.07532	7.1
247.11273	0.9
248.08252	2.8
249.05502	1.3
249.09073	5.6
250.06253	0.6
250.06955	0.6
250.09872	8.7
251.07095	0.9
251.10423	1.0
253.08513	0.4
255.06569	0.9
259.07501	0.6
260.08270	1.1
261.09109	8.2
262.06088	0.6
262.09891	5.2
263.07037	7.3
263.10635	3.0
264.07892	1.9
264.11438	1.6
265.08643	2.5
265.12253	7.6
266.09427	0.4
269.07797	0.4
275.07040	2.3
275.10394	0.7
276.07803	2.3
277.08594	9.2
278.09363	14.5
279.06845	0.9
279.10040	1.7
280.10968	1.4
281.08105	0.6
288.07596	0.5
289.08551	2.6
290.06116	0.6
290.09262	3.5
291.06570	2.5
291.10150	8.1
292.07672	0.7
292.10889	8.3
293.08096	7.1
293.11707	16.9
294.08807	1.1
294.12140	1.1
303.09995	0.6
304.07239	2.2
305.08075	10.5
306.05426	0.8
306.08807	4.2
307.06146	0.8
307.09558	1.9
308.10406	5.9
313.06985	0.9
319.09607	9.3
320.10413	19.4
321.07556	4.2
321.11197	13.4
322.11594	0.9
323.12723	6.6
335.09042	2.0
336.09918	4.5
349.10611	0.6
350.11472	11.6
351.12256	100.0
352.12567	5.8
366.10825	0.5
381.13312	73.6
382.13632	4.0
525.15192	2.9
525.31238	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.0
55.01870	4.1
57.03433	4.2
60.11063	2.7
65.03925	5.8
67.05510	6.3
67.37727	2.7
68.15354	3.7
69.03425	7.8
79.05493	13.6
81.07063	29.4
83.04987	5.1
85.02916	3.3
86.00323	2.9
89.03956	3.7
91.05487	28.7
93.03405	4.0
93.07050	5.9
94.04205	2.9
95.04974	12.5
96.02110	8.4
103.05489	8.5
103.13632	2.9
105.03374	3.4
105.07037	15.3
107.04966	7.1
107.08617	5.4
109.06522	10.6
109.10168	3.3
111.04443	26.7
115.05438	4.8
117.07011	3.4
119.04953	13.6
119.08599	5.1
121.06528	7.1
122.03645	4.3
123.04453	5.6
123.08069	5.1
128.06253	7.9
129.07014	13.7
130.04141	3.7
131.04938	18.8
131.08574	8.6
133.02885	22.8
133.06526	14.7
133.10156	4.7
135.04445	5.4
135.08064	4.0
136.73807	2.8
137.05972	84.8
139.03900	4.5
141.06999	6.6
142.07791	5.0
143.08635	5.6
145.06546	4.3
145.10132	3.5
146.07286	4.0
147.04410	22.9
147.08083	7.5
149.06015	16.5
151.03951	8.2
151.07549	44.5
151.08658	5.6
153.05486	8.5
153.07011	10.5
154.07761	3.4
155.08588	5.6
157.06514	5.8
157.10153	6.5
159.04335	3.6
159.08066	10.1
161.05974	27.1
161.09566	9.9
162.06783	17.7
163.07549	9.6
165.05473	14.6
165.07033	16.0
165.09122	14.1
167.07149	3.5
167.08572	7.6
168.05766	6.5
169.06487	8.0
169.10040	5.5
171.08069	5.7
173.09618	8.5
175.07500	15.9
177.05486	9.4
177.06909	3.7
177.09183	6.0
178.07758	12.7
179.07141	4.1
179.08553	15.5
180.05807	3.5
181.06381	14.5
181.10100	6.9
182.07358	5.8
183.04431	4.3
183.08029	10.4
184.05267	3.7
185.06047	5.9
185.09645	8.7
187.07549	6.1
187.11165	6.0
189.06949	5.2
189.09131	18.7
190.07796	3.9
191.07086	5.1
193.06557	6.3
193.08542	4.7
193.10123	5.3
194.07249	5.5
195.08044	15.8
195.09889	3.2
196.05289	3.9
196.08815	5.5
197.05975	16.2
197.09639	8.4
198.06798	8.0
199.07582	8.2
199.11275	5.7
201.08987	4.0
203.10568	3.6
205.06601	7.5
205.08524	4.7
206.07266	10.9
207.08151	16.3
207.09978	4.9
209.06021	5.9
210.06819	7.9
211.07538	21.5
212.08284	6.2
213.05438	6.8
213.09128	9.0
215.07021	4.2
219.08104	5.9
221.05998	8.7
221.09662	11.7
223.07616	17.5
224.08308	9.4
225.05449	13.2
225.09035	20.2
226.06245	11.6
227.07034	12.9
227.10674	5.6
234.06757	12.8
235.07509	22.4
236.08293	5.0
237.05408	9.6
237.09103	8.1
238.06279	4.9
238.09816	5.5
239.06995	27.2
239.10747	11.9
240.07811	5.4
241.08678	19.3
243.06503	11.7
243.10175	5.1
249.09114	18.2
250.06381	4.6
251.07008	23.1
251.10756	5.8
252.07753	10.4
253.05040	7.1
253.08607	36.8
253.12372	4.5
254.05811	4.8
255.06453	10.1
256.07254	7.9
256.10962	9.5
257.08084	6.5
257.11713	4.3
258.08670	3.7
259.09601	5.0
262.06177	4.6
263.06946	26.4
264.07724	4.1
265.08536	4.1
267.06641	12.4
267.10181	45.9
269.08133	42.7
270.08768	4.5
271.05945	10.1
271.09668	4.6
277.08667	13.5
277.11884	3.4
279.06677	5.4
280.07220	10.8
281.08087	100.0
282.08566	6.5
283.06067	9.9
283.09674	10.2
284.06561	5.6
285.08078	3.7
285.11157	13.6
286.08377	16.2
293.08008	4.6
295.09659	65.0
296.10092	5.6
297.07700	8.1
298.08524	4.3
299.09195	30.2
299.12677	8.2
301.10605	4.7
312.09842	16.1
313.10699	55.2
317.13824	9.0
327.12274	13.9
329.13855	3.6
345.13348	50.1
353.13535	3.7
371.14587	3.8
407.18256	4.0
421.19995	4.7
435.17822	4.8
450.20947	4.9
453.18863	8.1
461.20068	4.6
462.05710	3.4
479.21268	4.1
507.20099	13.3
525.21893	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	1.6
52.80437	1.3
53.03947	4.9
55.01874	7.9
55.05508	6.6
57.03432	5.1
59.04990	1.5
61.02945	1.6
62.00874	1.3
64.34483	1.5
65.03948	4.8
67.01846	1.9
67.05508	11.0
68.99790	2.6
69.03428	32.2
69.07080	2.8
69.26830	8.5
71.04990	3.1
73.02914	9.6
77.03934	2.1
79.05489	32.7
81.03429	5.0
81.07056	88.3
82.07391	1.8
83.01385	1.3
83.04990	8.1
85.02898	17.6
91.05477	59.9
93.03419	3.5
93.07048	24.7
95.04963	14.5
95.08610	13.2
97.02888	11.1
97.06545	3.7
99.04463	2.5
103.05459	7.4
105.03394	2.3
105.04529	1.8
105.07031	56.1
107.04954	7.2
107.08583	13.0
109.02903	2.8
109.06514	40.2
109.10157	2.7
111.04452	6.6
111.08111	3.1
113.02376	12.8
115.03957	2.5
115.05447	16.7
116.06272	8.2
117.07016	29.8
119.04979	6.1
119.08575	21.1
121.06502	21.5
121.10139	6.4
122.07290	2.0
123.04449	6.1
123.08068	18.5
125.06007	4.7
127.03908	3.6
128.06215	28.8
128.07098	2.2
129.07002	41.2
130.07814	7.2
131.04938	8.1
131.08559	40.0
131.09483	2.4
132.05685	2.1
133.04967	3.9
133.06480	19.2
133.10129	18.6
135.04459	6.7
135.08051	19.4
137.02365	2.1
137.05977	100.0
137.09613	3.6
138.06404	1.8
139.07506	4.1
141.06981	30.1
142.07770	24.2
143.08560	47.9
144.05656	3.1
144.09145	1.9
145.05028	3.3
145.06503	20.5
145.10114	24.7
146.05354	1.5
146.07281	6.6
147.04396	3.5
147.08046	26.7
147.11711	4.1
148.08849	1.8
149.05975	34.1
149.09637	10.3
151.07565	7.8
152.06239	5.1
153.05495	6.2
153.07019	13.0
154.07756	13.3
155.06039	3.6
155.08551	36.0
156.09370	7.2
157.06531	9.7
157.10124	27.5
158.07237	8.0
159.08061	32.2
159.11696	6.6
160.08827	8.5
161.05992	4.9
161.09615	25.0
162.06734	1.7
162.10371	2.3
163.07504	10.1
163.11197	3.9
165.05614	2.1
165.06966	19.5
165.09177	5.3
166.07774	12.4
167.07149	2.6
167.08556	18.6
168.09337	13.8
169.06447	9.6
169.10114	25.9
170.07332	4.8
170.10857	1.7
171.08026	26.1
171.11693	12.7
172.08823	9.0
173.06039	5.1
173.09615	28.0
173.13283	2.7
174.06783	3.3
174.10367	9.7
175.07538	20.0
175.11122	9.7
177.05527	5.5
177.09109	8.4
178.07726	7.9
179.07033	12.8
179.08583	15.5
180.09325	6.8
181.06534	3.7
181.08620	2.5
181.10120	27.7
182.07315	5.4
182.10837	4.4
183.08047	14.3
183.11671	12.0
184.08868	5.7
185.06010	4.0
185.09601	32.8
186.06940	1.5
186.10388	7.2
187.07545	13.4
187.11183	23.6
188.08328	4.2
188.11917	4.1
189.09100	85.7
190.07823	3.1
190.09514	3.1
191.07011	7.0
191.08557	4.1
191.10670	4.1
192.09393	8.9
193.08607	19.1
193.10170	14.6
194.07228	3.3
194.10864	3.4
195.06453	2.4
195.08026	13.2
195.11684	11.5
196.08841	7.1
197.05965	2.9
197.09589	17.6
197.13255	7.3
198.06818	2.7
198.10411	4.7
199.07578	10.3
199.11189	19.4
200.08218	2.5
200.11954	2.2
201.09106	27.1
201.12784	6.4
202.07840	3.6
202.09698	3.1
203.06921	2.2
203.08600	7.1
203.10690	16.5
204.09438	4.0
205.08415	7.5
205.10255	9.4
206.09291	3.3
206.10950	5.4
207.08092	4.7
207.10078	2.7
207.11714	15.0
208.08846	4.2
208.12421	2.7
209.07881	3.1
209.09636	20.8
209.13158	7.0
210.10439	4.6
210.14072	1.8
211.07596	5.8
211.11194	13.3
211.14932	3.0
212.08365	5.5
212.11958	3.2
213.09096	28.6
213.12822	4.7
214.09860	4.2
215.06958	3.5
215.08675	5.0
215.10712	7.0
216.09343	5.8
216.11302	2.9
217.08549	4.1
217.10190	8.1
217.12277	4.6
218.07343	1.6
218.10924	6.2
219.08075	5.2
219.10190	16.3
219.11821	4.8
220.08778	3.4
220.12447	3.2
221.09718	7.9
221.13295	8.1
222.10387	3.6
223.07581	2.7
223.11197	11.4
223.14786	3.2
224.08405	1.6
224.11908	2.8
225.09109	12.7
225.12709	12.4
226.09897	4.9
226.13293	2.2
227.08667	1.5
227.10674	26.9
227.14116	2.5
228.11417	2.6
229.08611	5.6
229.10300	4.7
229.12248	3.9
230.10919	5.6
231.09840	18.7
231.11748	5.0
232.08870	3.3
232.12390	3.6
233.09879	8.0
233.13501	7.5
234.10390	4.0
234.13972	2.0
235.07585	3.5
235.11241	11.1
235.14836	3.4
236.11914	3.0
237.09116	13.0
237.12704	9.4
238.09778	3.2
239.10641	10.3
239.14317	3.3
240.11481	1.8
241.12311	4.8
242.11029	2.6
243.10132	6.3
243.11998	2.9
243.13901	2.3
244.08807	2.5
244.10989	5.3
245.09509	4.2
245.11470	20.7
246.10324	3.5
246.14047	3.7
247.07579	2.0
247.11282	10.2
247.14845	3.7
248.11884	3.9
248.15784	1.6
249.09152	2.9
249.12827	15.8
250.09940	2.0
250.13522	3.3
251.10698	9.5
251.14336	4.8
252.11494	1.8
253.10193	2.1
253.12334	6.3
254.10797	3.3
254.13200	1.8
255.09938	11.2
255.13907	4.3
257.09470	2.0
257.11453	2.3
257.13617	3.1
258.10364	2.7
258.14285	2.5
259.11194	6.7
259.14828	4.4
260.11951	4.1
260.15323	2.1
261.09058	3.1
261.12790	10.0
261.16418	1.9
262.09991	2.8
262.13382	2.8
263.10599	6.8
263.14688	7.1
264.11713	1.8
264.14719	2.1
265.09109	1.5
265.12338	6.7
265.15829	2.7
267.13931	4.8
269.13324	1.6
270.08685	3.1
270.13580	1.8
271.09549	1.9
271.11035	2.4
271.13611	2.4
272.12061	4.9
273.08801	2.0
273.11438	5.5
273.12732	7.0
274.13525	2.3
275.10641	5.6
275.14243	4.2
276.11392	3.5
277.12299	7.1
277.15622	2.7
278.13141	2.8
278.16486	2.3
279.10184	1.6
279.13898	4.8
281.11340	1.7
283.10849	2.2
283.13742	2.1
284.11914	3.0
285.11395	2.6
285.15179	2.2
286.10043	1.9
286.13559	2.7
287.10623	4.4
287.14316	5.6
288.11584	1.7
288.15225	1.9
289.12225	7.3
289.15628	3.2
291.10400	2.4
291.13870	5.7
293.11960	1.7
293.15634	2.0
295.13205	7.0
296.11902	2.8
297.12357	2.7
297.15555	1.8
298.13660	3.4
299.10626	2.9
299.14188	4.7
300.11343	2.4
300.14951	2.7
301.12186	4.5
301.16000	4.7
302.12845	2.3
303.13766	5.9
305.12143	2.4
305.15475	4.0
305.18829	1.8
307.13519	2.7
309.11646	2.0
310.13412	2.3
311.14218	3.2
312.15005	2.6
313.10959	5.1
313.14496	6.9
315.13864	3.7
316.14447	2.0
317.15268	7.5
319.13232	3.1
319.16806	3.0
321.14978	2.0
323.12994	2.4
325.12027	2.4
325.15591	1.9
327.13745	3.7
329.15298	4.3
329.18982	1.9
331.13242	2.9
331.16968	4.2
333.14880	5.8
333.18488	3.3
334.19257	1.8
335.16412	5.0
339.13815	3.4
339.17624	1.7
341.15167	3.2
343.13382	5.0
343.17068	2.5
344.17813	2.2
345.14813	2.3
345.18427	4.0
347.16513	4.2
349.17871	3.4
351.16507	2.5
355.16885	3.5
357.14804	6.1
357.18634	3.4
358.15573	2.4
359.16370	7.1
361.14032	2.2
361.18259	6.7
369.18622	2.9
371.16422	5.0
372.17230	3.1
373.14014	2.8
373.18066	6.9
374.14963	1.6
374.18866	12.6
375.15549	3.1
375.16473	2.0
375.19568	11.8
377.17386	5.9
379.15375	2.4
383.16541	4.2
385.14151	3.9
385.18137	5.9
387.19775	3.9
389.17426	4.9
391.14691	2.9
391.19360	12.6
392.19696	8.1
393.16385	3.1
393.20657	6.6
395.18347	2.7
397.17944	4.7
399.19827	3.3
400.16553	3.3
401.17581	11.0
403.19058	6.4
405.20523	4.5
409.20154	10.6
414.18207	2.3
415.18982	19.2
417.20639	5.6
418.17776	4.6
419.18652	10.0
421.20062	6.2
423.22070	2.1
425.17392	4.8
427.19183	9.5
429.17102	3.4
431.18820	13.4
432.19354	5.6
433.20059	20.8
434.20575	2.5
435.21695	5.6
437.19437	6.7
439.17596	2.6
443.18411	18.8
444.19135	2.0
445.20117	67.3
446.20459	4.6
447.17935	5.5
449.19873	8.5
450.20630	3.3
451.21249	12.4
453.16803	2.8
461.19540	60.5
462.19992	3.1
463.14963	2.9
463.21106	35.1
464.21201	2.2
465.19434	8.6
471.17957	41.9
472.18484	2.3
479.20578	29.0
481.22015	8.6
489.19043	79.6
490.19519	5.7
497.21716	5.0
507.20074	49.1
508.20370	4.1
525.21161	45.6
525.27417	1.3
526.21771	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.0
55.05503	3.3
57.03438	5.0
59.88631	2.5
61.02945	4.6
64.43591	1.9
67.05503	20.1
69.03424	9.6
69.05367	19.4
71.04993	2.9
73.02912	5.0
79.05501	4.2
81.07059	20.6
85.02904	19.5
86.34804	2.1
87.04469	3.0
91.05482	7.0
93.07036	25.6
94.42249	1.9
95.04996	5.4
95.08608	17.1
97.02854	10.4
99.04460	3.6
105.90015	2.0
107.08595	6.1
109.06524	3.6
109.10155	71.7
115.03900	4.6
119.08579	4.8
121.10128	14.7
125.06005	8.9
127.03941	6.1
133.04919	4.0
137.05994	7.3
137.09616	100.0
145.05008	10.1
149.09639	7.7
154.06227	7.2
155.06613	2.5
155.10677	37.1
163.06044	2.9
165.09125	50.2
167.10640	11.4
177.16405	7.8
181.05022	8.6
182.05334	6.6
183.10182	35.0
195.17426	4.7
201.11215	97.1
213.07581	15.7
214.07930	14.0
219.12326	2.8
231.19553	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.4
55.29763	2.0
56.83763	1.8
60.11947	1.8
67.05504	6.3
69.07077	2.6
71.30750	3.4
79.05499	6.6
81.07058	5.9
81.96371	2.4
83.04999	3.7
91.05484	9.3
93.07040	8.5
95.04978	4.3
95.08604	7.6
105.07047	8.4
107.08590	6.5
119.08586	5.4
129.07050	3.6
131.08609	6.0
133.10165	3.1
135.08060	2.8
135.11652	2.0
141.06973	2.3
142.07802	2.2
143.08545	6.7
145.10149	6.5
147.11749	2.3
155.08577	5.9
157.10139	6.7
159.08067	3.3
159.11658	4.1
161.09608	2.0
167.44292	1.9
169.10138	6.3
171.08131	2.9
171.11658	2.3
181.10158	4.0
183.11691	5.7
185.09659	2.3
187.11185	2.8
195.11766	4.4
197.13303	3.5
207.11819	2.6
209.13196	2.5
221.13145	3.2
225.09174	2.2
239.14360	2.1
248.17416	2.0
259.91681	2.0
277.46100	1.8
281.08167	2.0
281.59903	1.9
311.09070	2.4
328.09427	2.4
343.11771	4.7
375.34024	2.5
433.30811	4.5
439.22409	20.2
453.24292	3.2
461.22733	2.2
463.30701	2.4
465.15137	6.9
481.23413	7.7
488.28357	5.8
489.22833	2.8
489.28766	18.3
491.24323	3.3
506.29822	3.6
507.30185	13.9
524.30432	8.6
525.22363	100.0
525.30627	44.6
525.37439	3.2
526.22681	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.4
55.29763	2.0
56.83763	1.8
60.11947	1.8
67.05504	6.3
69.07077	2.6
71.30750	3.4
79.05499	6.6
81.07058	5.9
81.96371	2.4
83.04999	3.7
91.05484	9.3
93.07040	8.5
95.04978	4.3
95.08604	7.6
105.07047	8.4
107.08590	6.5
119.08586	5.4
129.07050	3.6
131.08609	6.0
133.10165	3.1
135.08060	2.8
135.11652	2.0
141.06973	2.3
142.07802	2.2
143.08545	6.7
145.10149	6.5
147.11749	2.3
155.08577	5.9
157.10139	6.7
159.08067	3.3
159.11658	4.1
161.09608	2.0
167.44292	1.9
169.10138	6.3
171.08131	2.9
171.11658	2.3
181.10158	4.0
183.11691	5.7
185.09659	2.3
187.11185	2.8
195.11766	4.4
197.13303	3.5
207.11819	2.6
209.13196	2.5
221.13145	3.2
225.09174	2.2
239.14360	2.1
248.17416	2.0
259.91681	2.0
277.46100	1.8
281.08167	2.0
281.59903	1.9
311.09070	2.4
328.09427	2.4
343.11771	4.7
375.34024	2.5
433.30811	4.5
439.22409	20.2
453.24292	3.2
461.22733	2.2
463.30701	2.4
465.15137	6.9
481.23413	7.7
488.28357	5.8
489.22833	2.8
489.28766	18.3
491.24323	3.3
506.29822	3.6
507.30185	13.9
524.30432	8.6
525.22363	100.0
525.30627	44.6
525.37439	3.2
526.22681	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14105	0.2
54.38414	0.2
61.15508	0.2
65.96893	0.2
71.30534	0.4
91.05473	0.3
103.05430	0.3
109.17529	0.2
115.05460	0.5
116.04971	0.2
117.07021	2.4
132.08096	0.3
132.63945	0.2
136.45496	0.2
143.07326	1.3
144.08081	100.0
145.06616	0.2
145.08443	3.3
155.06010	0.5
161.10742	18.1
162.11079	0.4
165.63826	0.2
424.06277	0.2
549.68976	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84697	0.4
60.34103	0.3
63.37491	0.4
69.29389	2.4
81.07048	0.6
95.08579	0.4
99.00540	0.9
105.07001	0.5
113.44413	0.4
119.08548	0.7
123.08063	0.4
131.08560	0.5
143.08492	0.7
157.10118	0.5
161.09598	0.5
169.10156	0.5
171.11644	0.6
349.21371	0.6
407.25577	56.2
408.25943	4.6
437.26437	0.6
439.22552	0.5
449.26639	100.0
450.27042	9.0
525.28253	55.8
526.28571	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46608	1.9
51.43102	1.6
55.05511	6.2
56.81520	1.8
61.11390	1.8
67.05503	13.0
69.03394	2.7
69.07069	3.6
69.81015	7.9
79.05496	5.4
80.30693	1.6
81.07069	6.9
83.05001	7.0
91.05479	14.3
93.07060	13.7
95.04977	4.0
95.08605	21.0
96.38235	1.7
105.07050	13.2
107.08593	13.5
108.93173	2.0
109.06564	4.6
109.10156	5.1
111.04420	2.5
111.08100	4.3
117.07037	3.8
119.08586	11.8
121.06481	2.5
121.10133	9.6
123.08098	8.3
128.06245	2.9
129.07011	6.1
131.08565	10.1
133.06493	2.4
133.10138	9.3
135.08064	4.7
141.07010	3.0
141.09048	1.9
142.07814	4.1
143.08571	6.5
145.06564	4.1
145.10168	8.6
147.08028	5.3
147.11755	5.0
153.07047	2.5
155.08620	7.2
156.09343	3.9
157.06529	3.4
157.10185	7.6
159.08055	5.1
159.11726	5.6
161.09641	3.3
165.07002	3.8
166.07828	2.0
167.08623	5.6
168.09448	2.2
169.06494	4.2
169.10118	5.1
171.08058	2.8
171.11713	4.3
172.65514	1.9
173.09689	5.8
173.13281	2.2
175.11226	1.8
179.08620	5.0
181.10143	6.2
183.08101	6.0
183.11708	4.6
185.06023	4.4
185.09721	4.5
187.07571	8.5
187.11201	3.0
192.09355	3.3
193.10237	5.4
195.08095	5.7
195.11774	7.5
197.06029	2.4
197.09679	4.4
199.11263	2.9
203.08606	2.1
204.81947	2.0
207.11731	6.1
209.09717	8.5
209.13228	4.7
210.10402	3.4
211.07539	3.7
211.11255	4.2
219.11847	4.3
221.09714	5.0
221.13306	3.5
223.11256	8.1
224.11978	2.3
225.09219	2.4
227.07137	3.8
227.10710	3.9
227.14410	2.9
232.12358	2.4
233.09595	2.4
233.13210	3.8
235.11143	10.6
237.09160	4.9
237.12782	4.3
239.10640	3.7
239.14514	2.6
245.13310	2.2
246.14021	2.3
247.14885	3.2
249.12762	2.8
250.13402	2.9
251.10773	4.0
253.08600	3.8
253.12332	5.3
261.12805	5.5
261.16318	2.6
263.10757	3.0
269.11896	4.0
271.14886	3.0
273.12729	2.9
275.14252	2.4
279.10342	2.7
279.13885	3.5
281.11771	3.1
289.12372	2.3
289.15869	4.7
291.13919	2.4
293.11890	5.2
293.15259	2.4
295.13492	7.2
305.15350	2.2
307.16925	4.4
309.14908	2.6
317.15451	6.0
321.15131	2.3
335.16354	2.1
349.18015	3.3
353.17294	2.4
383.23929	1.9
393.21689	2.1
401.24850	2.7
411.23495	4.0
429.24493	13.1
435.21606	3.5
439.22559	9.8
447.25296	16.0
449.22784	11.6
457.23663	30.8
458.24008	2.8
465.26416	5.2
467.27975	5.7
471.25195	2.0
475.24783	33.3
476.25241	3.0
489.25900	24.5
493.25937	15.1
507.27142	67.6
508.28116	6.3
525.23138	4.9
525.31940	100.0
526.24298	2.2
526.31580	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.1
67.05522	7.5
69.03443	13.0
69.35760	47.7
73.02905	5.8
77.79037	6.3
79.05473	19.9
80.28387	6.3
81.03413	8.5
81.07044	22.6
85.02908	33.1
91.05486	15.8
93.07040	99.5
95.08640	32.2
97.02895	14.4
99.08111	8.1
101.46590	6.8
105.07021	12.3
107.08598	25.3
111.08078	7.7
121.10139	95.4
127.03934	10.1
137.05981	8.2
137.09624	19.9
144.08104	6.5
145.04973	14.2
149.09601	29.0
163.06020	7.0
164.44585	7.5
165.09155	14.3
167.10690	56.8
171.86986	7.5
177.16377	100.0
195.17441	27.4
202.43523	7.2
213.18419	21.1
251.75719	7.3
311.15134	8.8
525.23560	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.1
67.05522	7.5
69.03443	13.0
69.35760	47.7
73.02905	5.8
77.79037	6.3
79.05473	19.9
80.28387	6.3
81.03413	8.5
81.07044	22.6
85.02908	33.1
91.05486	15.8
93.07040	99.5
95.08640	32.2
97.02895	14.4
99.08111	8.1
101.46590	6.8
105.07021	12.3
107.08598	25.3
111.08078	7.7
121.10139	95.4
127.03934	10.1
137.05981	8.2
137.09624	19.9
144.08104	6.5
145.04973	14.2
149.09601	29.0
163.06020	7.0
164.44585	7.5
165.09155	14.3
167.10690	56.8
171.86986	7.5
177.16377	100.0
195.17441	27.4
202.43523	7.2
213.18419	21.1
251.75719	7.3
311.15134	8.8
525.23560	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2974
Annotation	Ripromycin
Peak:m/z	Relative Intensity
61.14456	1.3
67.05515	2.6
81.07087	2.5
85.01219	1.5
91.05470	2.7
93.07064	1.6
95.08599	2.7
105.07035	2.4
131.08574	2.2
143.08467	1.8
145.10155	1.8
148.30389	1.6
155.08614	2.2
163.11143	1.4
181.10010	1.5
193.10207	2.5
195.11682	2.3
197.13345	2.3
206.63585	1.6
207.11653	2.4
209.13339	2.5
221.13350	3.3
223.14880	2.0
263.18176	1.8
303.32831	1.5
323.20078	2.8
403.26215	12.4
419.29312	2.3
427.26080	1.5
445.27188	7.0
463.28381	23.4
525.29761	100.0
526.29724	8.9
550.63611	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2984
Annotation	Ripromycin
Peak:m/z	Relative Intensity
53.06130	2.0
67.05481	3.1
69.07038	2.5
69.17001	16.7
77.24726	3.0
79.05475	2.4
80.52402	2.3
81.87982	2.3
86.09707	2.4
89.06029	30.9
93.07013	5.4
95.08588	4.6
98.23329	5.6
104.10701	8.2
105.06998	4.1
105.11043	2.3
107.08548	3.3
111.34258	2.0
119.08532	3.6
124.99999	3.3
133.08609	22.5
143.08409	2.2
163.07777	1.9
167.07034	3.9
177.11150	8.8
181.08711	2.5
184.07295	7.0
235.13298	5.4
327.20084	12.6
378.02142	2.4
378.24701	3.1
449.29990	2.3
453.35187	3.7
460.38962	2.2
489.29532	5.0
507.28958	38.6
508.30545	6.9
525.29553	100.0
526.30115	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3186
Annotation	Bisacutifolone C
Peak:m/z	Relative Intensity
52.07751	0.2
55.05498	0.7
55.11349	0.3
55.15191	0.3
55.89223	0.3
62.36859	0.3
66.79693	0.3
67.05504	1.3
71.31053	0.3
79.05494	1.1
81.07056	1.0
83.08619	0.4
91.05470	1.3
93.07040	0.8
94.49492	0.3
95.08620	1.2
96.17625	0.2
100.21138	0.3
105.03374	0.5
105.07043	1.1
107.08581	0.6
109.10146	0.6
111.60922	0.3
119.08587	0.8
121.06522	0.4
121.08263	0.3
121.10170	0.6
128.06215	0.4
129.07047	0.7
131.08571	0.8
133.10106	0.9
141.06998	0.5
143.08562	0.6
145.10104	0.8
155.08566	1.0
157.10127	1.1
159.11610	0.4
167.07152	0.5
167.08504	0.5
169.10130	0.6
171.11697	1.0
173.09651	0.3
181.10187	0.6
183.11664	1.1
193.09918	0.3
195.11772	0.4
197.13304	0.5
199.11314	0.3
207.11691	0.3
209.13213	0.5
237.12650	0.3
240.58585	0.3
268.11877	0.3
378.06284	0.3
396.03296	0.4
415.30164	0.4
424.14545	0.3
425.14777	0.5
433.31039	0.9
439.22421	1.2
463.31256	0.6
465.14859	0.3
481.33328	0.4
489.28845	1.0
507.30719	11.2
507.42093	0.6
508.30963	1.1
518.26355	0.4
525.23126	5.9
525.31763	100.0
526.23712	0.7
526.32092	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3187
Annotation	Oncostemonol A
Peak:m/z	Relative Intensity
52.55943	0.3
69.78313	1.6
76.08169	0.3
95.08648	0.4
97.18963	0.3
102.66001	0.3
105.03378	0.8
384.10764	0.3
463.31894	2.2
465.45624	0.3
467.27655	15.3
468.28033	1.1
481.33014	2.4
507.30893	8.8
525.31830	100.0
526.32220	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3188
Annotation	CHEBI:67872
Peak:m/z	Relative Intensity
53.59330	0.5
54.33489	0.6
69.12923	0.9
69.13319	4.0
105.03378	1.1
107.70596	0.5
134.02994	0.5
146.69720	0.5
160.53749	0.6
445.30966	0.8
449.26633	53.4
450.26901	5.7
463.32028	2.0
467.27634	2.9
481.32983	1.4
489.29913	6.7
507.30826	21.1
508.31097	2.7
525.31909	100.0
526.32318	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3188
Annotation	Oncostemonol A
Peak:m/z	Relative Intensity
56.24587	0.3
57.02666	0.3
62.55930	0.3
69.13818	1.5
69.14230	0.6
91.05484	0.4
95.08556	0.4
98.22527	0.5
99.43278	0.3
99.95926	0.4
100.06271	0.3
104.71837	0.3
105.03391	0.7
159.12805	0.3
167.07045	0.5
258.01111	0.3
420.71393	0.3
425.14725	0.8
449.25266	0.4
463.31711	0.4
467.27859	0.5
481.33237	0.3
489.29034	1.7
504.65332	0.3
507.30832	12.2
508.30914	1.0
525.31848	100.0
526.32172	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
54.96296	0.9
55.01872	7.3
55.05509	1.6
57.03439	21.1
58.68772	0.9
59.04992	1.5
61.02928	11.7
64.33495	0.9
65.03944	4.1
67.05495	1.8
69.03425	26.3
69.26431	1.0
69.26740	6.7
71.01346	5.1
71.04595	1.8
71.04991	38.3
73.02917	61.0
75.04488	2.5
79.05489	2.8
81.03413	6.3
81.07058	5.3
83.04971	6.1
85.02901	100.0
86.03252	1.7
87.04453	4.5
91.03960	2.2
91.05456	2.1
93.03400	2.7
93.07040	2.9
95.04973	1.1
95.08606	2.0
97.02888	47.1
97.06531	1.3
98.03170	0.8
99.04446	5.2
103.03932	3.0
105.07018	1.8
106.04140	1.1
107.04956	1.4
107.08612	1.5
109.02902	3.9
109.06492	2.6
109.10132	1.5
111.04435	6.2
111.08084	1.3
115.03938	27.3
116.06241	1.2
117.07028	1.7
118.89901	0.8
119.08640	1.0
121.06577	1.0
123.04491	1.2
127.03908	20.9
129.05486	20.4
129.06978	1.5
131.04982	1.1
131.08615	1.6
131.67531	0.9
133.04959	30.2
135.08051	0.9
137.05952	5.4
141.07019	2.4
142.07756	1.5
143.08609	1.9
144.06578	3.2
144.35675	1.0
145.04945	25.7
145.06210	1.2
146.08244	0.9
147.06528	9.0
147.07600	1.3
149.06013	1.3
150.07622	3.7
153.06999	7.7
155.08562	1.6
156.06595	1.4
159.08052	1.5
162.07608	2.9
163.05986	7.7
163.07298	1.4
164.09209	3.0
165.07019	1.6
165.09105	2.1
171.08038	10.2
173.09648	1.7
180.08572	4.9
183.08058	9.6
193.05009	1.3
197.05923	5.6
197.09656	3.8
200.49260	1.0
205.12234	2.3
209.09628	1.2
213.89812	1.0
215.07036	21.5
216.07318	1.6
223.05978	3.0
225.09149	2.1
227.06927	1.5
236.81584	0.9
241.06995	4.6
255.08400	1.0
259.08163	2.6
265.10620	1.1
267.10211	3.6
276.10849	1.5
293.08023	1.7
294.11884	1.3
311.09012	1.1
329.17398	3.1
368.14066	0.9
383.87134	1.0
387.59399	1.0
473.23282	1.7
526.23187	1.1
527.24304	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37152	1.2
53.03955	3.6
54.63676	1.2
55.01875	19.1
57.03439	31.8
59.05021	3.2
60.04525	1.3
61.02931	13.7
65.03931	7.3
67.05502	4.5
69.03433	39.3
70.57693	3.3
71.01362	9.4
71.04993	1.6
72.04520	2.0
73.02507	2.2
73.02918	44.8
79.05507	1.6
81.03396	8.2
81.07058	5.0
83.01338	1.8
83.04969	2.7
85.02908	100.0
86.03252	1.9
87.04476	7.6
91.03968	3.9
91.05511	2.7
93.03404	7.2
93.07030	3.5
95.04991	2.9
95.08630	3.2
97.02897	65.9
97.06548	2.6
99.04460	4.8
101.95310	1.3
103.03961	4.3
105.07035	4.9
107.08617	2.6
109.02879	7.8
109.10159	2.4
111.04429	8.9
115.03943	29.7
119.08607	2.8
120.08925	1.3
121.06557	1.8
123.04488	1.6
123.08098	2.0
125.09613	1.5
127.03921	30.2
129.06972	1.7
131.08530	2.4
132.06589	3.5
133.04974	46.0
137.06020	6.3
137.09604	2.2
138.06294	1.8
141.07024	4.4
143.08554	2.3
144.06577	5.0
145.04965	43.5
145.10152	2.3
150.07635	5.5
151.03912	4.6
152.06230	3.8
153.06999	14.4
157.10101	1.8
161.09648	1.7
162.07657	3.1
163.06000	12.3
165.09122	6.6
166.09483	3.0
171.08038	23.1
173.09613	2.0
180.08670	3.1
193.04990	2.9
197.04385	2.4
197.05928	11.2
215.07033	67.7
216.07393	2.5
223.06055	2.7
236.16077	1.6
241.07117	4.6
259.08188	3.6
346.72528	1.3
359.11282	1.7
364.20770	2.3
385.44437	1.6
395.20367	8.6
526.25134	4.3
527.24628	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88801	3.2
69.26646	3.1
69.40813	9.3
69.41228	17.3
69.60639	2.9
70.62034	3.0
81.07064	5.3
89.02588	3.1
91.05464	3.8
93.07069	3.4
94.96312	3.6
105.03436	6.6
111.16814	3.0
182.07310	4.1
197.05894	5.5
199.07506	4.2
204.07922	4.7
208.08954	3.6
209.09734	4.3
210.06818	3.7
211.07574	4.9
213.05544	4.2
221.06133	7.0
223.07530	6.8
224.08348	4.5
226.06291	6.4
227.07011	7.9
235.07594	9.0
236.08272	7.0
237.09160	9.9
238.06146	7.7
239.06932	6.1
239.10600	4.9
241.04947	4.3
241.08527	4.1
242.05795	4.3
243.06526	4.4
250.06320	4.2
251.07167	7.1
252.07722	6.3
253.05145	4.7
253.08684	7.6
254.05783	5.0
255.06451	5.9
255.10275	4.5
261.09106	3.8
263.07062	4.4
264.07864	12.4
265.08557	12.4
266.05777	6.9
267.06381	4.0
267.10251	10.0
268.07272	9.1
269.08002	5.5
271.06015	13.3
272.06454	3.8
278.09216	9.0
279.06631	5.3
279.10129	9.5
281.08002	24.9
282.08795	3.9
283.06363	5.3
283.09671	15.1
284.06799	20.9
285.07523	10.9
285.11151	6.0
292.07431	6.0
293.08151	6.4
293.11615	5.2
295.06592	4.2
295.09549	19.4
297.07727	5.2
298.08392	5.7
299.05576	8.2
299.09122	13.8
301.07111	10.8
307.09860	16.1
309.07697	5.8
309.11084	7.3
311.09100	21.2
312.06354	4.5
312.09744	6.3
313.07028	16.0
313.10748	24.6
314.07831	12.5
315.08670	5.4
319.09744	6.6
321.11301	9.5
322.08380	4.8
324.09857	7.6
325.10672	7.1
327.08618	100.0
327.12332	6.5
328.09283	11.1
330.07318	5.0
337.10611	33.4
339.08548	5.6
339.12241	37.7
343.11786	41.5
345.09705	10.5
351.12265	13.5
354.11206	4.6
355.11713	41.5
369.13327	76.0
370.13522	5.6
387.14337	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01881	1.3
55.05509	1.3
67.05504	3.9
69.03468	1.2
69.65280	5.5
79.05503	4.1
81.07074	5.1
82.06590	5.2
83.04979	1.9
85.02921	2.8
89.03931	2.5
91.05481	4.3
93.05784	2.1
93.07066	6.0
94.06577	8.4
95.04992	1.6
95.07377	3.3
95.08620	3.8
96.08138	16.1
97.02932	1.7
97.06525	1.1
98.22748	1.5
99.04488	1.2
103.05473	3.2
105.07030	1.6
106.06545	4.4
107.08538	1.3
108.04466	5.3
108.08146	15.1
109.10154	1.4
110.05991	1.4
110.09685	14.3
111.08106	1.0
116.04990	9.2
117.07052	1.3
119.08600	2.2
120.08109	12.7
121.06583	1.3
121.10183	2.2
122.06037	8.4
123.04440	1.2
123.06856	1.1
124.07600	48.0
131.04976	4.1
132.04414	1.8
132.05293	1.5
133.10158	1.4
134.05994	1.9
136.07562	13.1
137.05989	3.7
138.09146	19.6
144.04457	14.6
145.05113	1.7
146.06015	12.9
148.07591	4.4
151.07571	2.8
152.07082	8.7
160.03979	5.7
162.05484	2.8
163.07614	1.3
165.09178	3.0
166.08646	35.9
168.06564	5.3
172.03937	46.7
173.04640	1.2
174.05573	5.6
184.53145	1.1
190.04999	68.4
191.05431	1.8
195.06546	1.7
197.15480	1.1
204.06564	35.5
204.08386	2.2
205.06961	1.5
206.08160	4.7
222.11528	1.4
225.10197	1.8
236.09415	3.0
240.08990	1.4
249.10403	1.3
251.11842	3.0
252.08899	1.5
253.09732	2.7
264.08994	2.1
265.09760	1.3
267.11261	2.1
270.01791	1.3
279.11255	10.4
281.09296	3.0
285.12469	1.4
287.10291	3.3
291.13312	1.2
292.33908	1.1
295.10870	2.8
297.12378	14.1
298.12988	1.3
299.10172	7.5
307.10809	4.4
311.10339	1.4
313.11768	3.3
323.10327	8.7
325.11826	100.0
326.12189	3.9
329.11349	23.8
329.15179	2.5
330.11932	1.9
335.09433	1.4
341.11322	13.4
342.11563	1.3
343.12842	7.2
353.11331	1.2
357.14520	3.2
361.14014	2.0
373.14172	2.5
402.58105	1.0
417.07819	1.1
448.18942	2.6
450.20325	1.1
452.18152	5.0
466.19913	1.5
476.18411	10.6
494.19214	56.7
495.19464	4.3
508.20895	4.6
526.23413	15.6
527.15454	2.5
527.23975	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74585	0.7
53.03938	2.1
55.01869	1.3
57.03432	1.2
61.02919	1.4
65.42721	0.7
67.05503	1.5
69.03428	4.4
69.07068	1.1
69.78167	2.8
69.78584	1.9
71.04963	0.9
73.02923	4.9
74.03257	1.4
75.36004	0.7
79.05484	2.5
80.05022	1.6
81.03410	1.0
81.05801	1.3
81.07043	2.9
82.06583	3.2
83.04988	0.8
83.08610	0.9
85.02908	9.3
86.03254	1.4
89.03925	1.4
91.05470	3.5
93.07045	3.9
94.06557	8.1
95.04928	1.4
95.07343	3.3
95.08611	4.3
96.08127	11.7
96.08807	1.3
97.02902	4.7
98.03235	2.0
98.06062	0.9
103.05460	1.1
105.07025	1.1
106.06545	2.5
107.08594	3.4
108.04482	18.1
108.08125	12.4
108.08872	1.8
109.06531	1.2
109.10136	1.5
110.09675	9.5
111.04433	0.8
115.03957	1.5
116.04256	1.2
116.04986	7.9
118.06548	0.9
120.04488	1.1
120.08112	8.9
121.06478	0.9
121.10146	3.6
122.06046	11.1
122.10461	2.5
124.07590	45.7
127.03928	2.9
129.07063	0.8
131.08554	1.1
132.04405	1.2
133.04985	2.6
134.03499	0.8
135.11603	1.1
136.07581	13.4
137.05988	3.4
138.09132	19.0
140.07111	1.9
144.04448	11.2
145.04970	3.0
145.06146	0.7
145.10173	1.1
146.06017	18.4
148.07570	6.0
150.05568	2.5
152.07045	6.4
160.03920	5.9
161.05940	1.1
162.05511	3.0
163.06113	1.5
165.09079	0.9
166.08630	17.2
168.06546	20.9
170.08102	0.8
172.03935	42.2
173.04553	1.9
174.05495	11.9
174.07896	1.0
177.16364	9.0
178.16672	4.6
179.08533	0.8
179.17043	1.7
190.04984	61.9
191.05443	1.8
192.06580	1.8
195.17470	3.2
196.17783	2.2
197.18024	1.0
204.06560	39.6
205.07030	1.7
205.12230	2.0
206.08116	11.9
206.09775	1.4
211.12321	1.2
219.10191	1.7
221.10637	0.9
223.12230	1.5
236.09427	2.0
238.11020	0.9
251.11795	3.4
252.09036	1.3
253.09618	1.2
255.11212	1.1
264.09058	2.0
267.11072	1.2
269.12988	1.0
279.11276	8.6
281.09119	1.1
287.10214	1.8
295.10760	2.2
296.11560	1.5
297.12314	18.4
299.10303	1.7
307.10764	9.2
313.11780	3.4
323.10278	8.8
324.10532	1.1
325.11813	100.0
326.12082	5.8
329.11221	5.1
335.09238	1.6
336.09918	1.8
339.13760	1.4
341.11267	13.0
343.12878	10.0
357.14337	1.8
359.12274	1.6
361.14172	1.3
373.14020	6.9
448.18713	1.1
452.18256	3.1
466.19867	1.6
476.18094	8.4
477.18222	1.0
480.21191	1.0
494.19211	57.2
495.19354	3.8
508.20807	6.1
512.20520	1.3
526.23352	32.1
527.24213	10.2
549.60352	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88801	0.8
64.46496	0.8
64.49543	0.9
69.34915	5.8
76.85957	0.8
81.37746	0.8
88.32331	0.7
92.79369	0.8
97.42809	0.8
98.22681	1.7
100.15856	0.8
149.97508	0.9
152.06308	0.9
167.07108	0.9
174.16125	1.0
182.07253	1.0
195.08142	0.9
209.09557	0.9
211.07498	1.8
221.09650	1.5
224.08261	0.8
225.09137	2.0
227.06938	1.3
235.11176	3.2
237.05544	1.1
237.09082	2.4
238.06209	1.4
238.09889	0.9
239.07069	2.9
239.10722	1.3
241.04863	1.7
242.05820	1.1
243.06546	1.2
245.09729	1.0
247.07544	1.1
248.08376	2.2
249.09113	2.8
250.09863	1.1
251.07172	1.4
251.10614	2.5
252.11404	1.7
253.08484	2.9
253.12219	2.0
254.05666	0.9
254.09373	0.9
255.06412	1.8
256.07248	1.7
257.07996	2.7
261.09048	1.2
263.10687	6.0
265.08539	5.2
265.12155	2.9
266.05746	2.7
266.09341	2.1
266.13004	1.1
267.06509	5.2
267.09720	1.2
269.04477	1.9
269.11731	1.9
270.08838	1.3
271.09650	2.1
277.08560	4.2
277.12064	0.9
278.09381	1.1
279.06616	0.9
279.10144	4.4
280.07617	1.4
280.10901	4.2
281.08145	3.4
281.11670	8.9
283.09723	1.5
284.06848	7.4
284.09637	1.5
285.07535	11.9
287.09171	0.9
291.10123	3.4
293.08069	3.4
293.11685	6.3
294.08737	2.4
294.12262	2.1
295.09604	2.7
295.13272	7.8
296.13858	1.6
297.11304	6.2
298.08212	1.1
298.11649	1.8
299.09128	8.3
300.09885	6.2
302.07727	1.2
303.08554	1.0
306.12448	2.3
307.09656	3.7
308.10461	7.0
309.11206	14.4
310.11874	3.2
311.09143	1.6
311.12564	1.2
312.13577	2.5
313.10522	1.9
313.14093	1.8
314.11462	9.7
315.11758	1.0
317.10220	1.6
322.12100	5.4
323.12848	10.5
324.13559	4.0
325.10648	5.0
325.14291	7.6
327.15964	2.8
331.11636	1.0
340.13092	11.7
341.13824	32.8
342.14218	0.9
355.15387	65.8
356.16141	95.7
357.16690	5.9
359.18475	3.4
387.18002	100.0
388.18350	6.5
394.31540	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93105	26.8
54.27353	26.8
55.63804	30.0
58.52954	28.0
59.36576	26.4
71.31451	45.6
74.64989	28.9
81.07110	29.3
95.10207	36.2
119.08593	53.6
120.89105	31.0
157.10109	31.2
183.11710	38.7
242.42508	34.8
266.28714	32.3
327.23944	38.7
345.20645	32.4
387.18021	100.0
463.28458	96.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.5
53.03951	6.2
67.92236	0.7
70.57333	1.5
77.03922	1.0
81.03409	1.1
95.04973	6.5
105.03394	100.0
105.04541	2.5
106.03718	2.4
117.05613	0.7
157.12187	0.6
253.08435	0.6
265.21634	0.7
266.77911	0.6
274.71072	0.6
278.31155	0.7
306.12601	0.8
337.14276	1.7
343.11761	1.5
352.76794	0.7
355.15543	1.2
385.16211	0.9
387.14282	2.5
491.20630	5.4
523.18188	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
57.03431	3.9
61.02920	2.8
67.05500	5.6
69.03435	8.9
70.49378	2.3
70.49710	0.9
71.05005	1.2
73.02911	1.2
75.04476	4.2
79.05496	8.2
81.03426	2.8
81.07048	4.7
83.04995	1.9
85.02905	32.2
87.04470	1.4
91.05490	5.0
93.07042	46.7
95.04980	1.8
95.08611	3.1
97.02895	8.4
98.97594	2.1
99.04456	2.9
105.07037	5.4
107.08609	4.2
109.02882	3.9
110.07178	2.9
111.04435	10.4
111.08101	6.2
115.03918	1.1
118.06529	1.0
119.08581	1.3
121.06497	1.8
121.10144	52.8
123.11700	1.9
125.06008	4.9
127.03918	7.8
131.08609	2.0
137.06044	1.7
139.11208	11.0
140.11021	1.0
143.00148	1.6
145.04942	13.9
147.08064	1.0
147.31618	1.0
149.09618	20.3
161.09705	1.3
163.05986	8.9
167.10675	100.0
168.11029	2.8
181.74638	1.0
185.11797	1.3
241.08644	1.4
259.85849	1.2
287.17026	1.0
293.64264	1.0
311.14996	6.1
329.15820	2.1
351.05817	1.9
365.13373	1.2
490.28711	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
55.01850	1.4
57.03444	1.4
61.02933	2.2
65.03943	1.2
67.05505	4.4
69.03426	5.8
69.56519	6.1
79.05481	7.1
81.03423	1.8
81.07053	4.2
83.04966	1.4
85.02423	2.0
85.02905	26.6
91.05476	17.7
93.07040	84.6
94.07414	1.4
95.04960	3.1
95.08579	1.9
95.11299	1.2
97.02886	5.5
98.23373	1.2
99.04453	2.7
103.03904	1.7
105.04494	1.4
105.07022	3.6
107.04968	1.5
107.08598	4.5
109.02865	1.3
109.06486	1.3
110.07162	4.3
111.04464	6.9
121.06526	1.7
121.10141	53.9
123.08028	1.1
123.11711	3.3
125.05985	2.7
127.03899	7.7
130.57664	1.3
130.70003	1.1
131.04961	1.4
131.08545	1.4
135.45670	1.1
137.05997	2.7
139.11166	2.1
145.04932	13.2
147.04420	1.2
149.09608	46.3
150.09903	1.7
151.07498	1.5
163.06018	10.4
163.07417	2.3
167.10677	100.0
168.10999	2.9
177.00604	1.2
243.12810	1.1
262.08606	1.3
311.14877	1.9
317.13699	2.7
322.33563	1.2
325.11111	2.0
329.15762	2.0
364.08517	1.5
364.18756	1.9
526.19641	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30299	0.8
53.03952	1.1
57.03419	1.3
59.05013	4.2
61.02917	2.1
67.05491	2.5
69.03422	5.8
70.56768	1.6
71.05003	1.6
79.05502	4.1
81.03430	3.2
81.07061	2.5
83.04985	0.9
85.02905	28.5
91.03945	1.7
91.05470	5.1
93.07043	6.7
95.04922	0.8
95.08601	1.0
97.02910	7.3
97.06522	1.7
98.23294	0.8
99.04396	1.7
105.07019	11.0
107.08600	21.9
109.02883	2.2
109.06487	3.8
111.04463	0.9
119.08571	1.4
121.06522	5.6
121.10145	51.0
122.09670	2.0
122.10503	1.6
123.08087	3.9
123.11683	1.5
125.09632	39.9
126.09964	0.9
127.03917	6.6
131.33025	0.8
139.11203	3.7
145.04965	11.2
149.09621	29.4
163.06036	5.6
167.10683	100.0
168.11032	2.5
191.10489	1.2
206.00888	0.8
225.32074	0.8
244.03964	0.8
245.00835	0.8
247.13794	0.7
293.14151	0.9
311.14929	6.3
312.15381	1.1
325.11282	1.2
395.39542	0.8
482.19614	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01196	0.6
50.66124	0.5
52.72235	0.6
53.03939	1.1
55.01857	0.6
55.05487	0.7
57.03422	0.8
61.02927	2.6
67.05503	6.8
69.03434	3.7
69.45004	2.4
73.02895	0.7
79.05498	5.5
81.03426	1.9
81.07060	6.1
83.04966	2.0
85.02907	23.9
85.10356	0.6
91.03967	1.9
91.05495	0.8
93.03407	1.8
93.07047	9.2
95.08610	2.6
97.02883	6.8
97.06515	0.8
99.04440	1.0
105.07042	1.4
107.04980	1.1
107.08584	1.7
109.02898	1.8
111.04440	15.7
121.06533	1.1
121.10146	14.6
125.06008	4.5
125.09628	0.6
127.03907	6.0
131.07518	0.6
139.11243	1.4
144.08093	2.7
145.04967	9.8
149.06013	1.1
149.09627	16.8
150.10025	0.6
163.06023	8.3
167.10687	100.0
168.11026	3.7
311.14807	4.5
329.15866	3.3
422.40500	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
54.90753	0.5
55.05508	1.1
57.03444	1.5
61.02924	1.4
69.03434	3.4
69.07055	1.2
69.31388	2.7
79.05501	0.6
81.03415	2.1
81.07056	1.3
83.08621	0.8
84.05954	0.5
85.02907	11.3
91.05463	1.7
94.04177	1.4
97.02891	2.4
98.22649	1.3
99.08107	7.5
100.07594	0.7
100.11270	3.6
103.05476	2.1
105.07034	3.9
107.04931	0.9
117.07024	2.5
119.04935	0.9
122.03648	4.4
125.05926	0.5
127.03923	1.9
128.07104	0.8
130.07814	1.4
131.04927	8.1
133.06494	1.8
137.05978	100.0
138.06305	2.1
141.07056	0.7
143.08661	0.6
144.05679	1.8
145.04970	1.0
145.05249	1.0
145.06482	8.1
145.10136	14.2
148.05154	1.0
151.07516	4.1
155.08606	0.8
156.29181	0.6
158.07242	2.9
159.07938	0.8
161.06062	0.8
163.07542	7.4
165.09123	4.2
173.09624	33.7
174.10069	0.8
176.08336	1.5
179.07024	1.6
180.08673	0.9
182.15408	2.6
191.10675	0.9
205.12245	95.8
206.12607	2.9
210.14867	2.1
223.13304	22.9
224.13818	0.8
227.07031	1.7
227.17464	0.6
259.09735	1.0
265.12335	1.1
291.24268	0.5
306.15756	0.5
327.12491	1.1
359.14764	0.7
526.19946	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27590	0.8
55.01891	1.0
55.05524	1.5
67.05523	1.0
67.64473	0.8
69.03441	5.6
69.50183	2.7
69.50588	2.0
79.65316	0.8
81.03429	2.1
81.07078	1.6
85.02915	11.8
91.05504	1.2
93.07030	1.4
97.02920	2.7
98.22620	1.6
105.07034	1.7
107.04961	1.5
109.02890	1.5
109.06519	1.1
115.05476	0.8
117.07049	0.9
119.08555	1.0
121.06603	1.2
123.04420	1.4
127.03957	2.1
131.04944	1.9
137.06006	5.6
139.03787	0.8
139.05420	5.9
143.08571	1.0
145.06538	1.1
156.05688	1.0
163.07628	2.9
165.09113	3.6
167.04953	3.7
171.08040	1.7
173.09624	2.2
175.07559	1.6
181.06677	1.6
183.04443	1.7
184.05223	3.8
187.07526	1.5
195.04401	12.4
195.08098	2.4
196.05101	1.7
197.06012	1.3
199.07602	5.9
205.12257	1.9
208.08771	0.9
209.05971	6.0
212.04678	11.8
215.07063	3.5
223.07558	4.0
226.06291	1.1
227.07019	100.0
228.07443	3.2
237.12743	1.4
241.08649	2.3
247.09695	2.6
249.09166	1.0
250.09996	1.3
255.10271	2.8
259.09644	37.6
265.12231	47.9
266.12564	2.9
297.14865	23.2
298.15302	1.2
329.17456	23.6
330.17752	1.2
449.19498	1.1
467.20633	3.7
526.21216	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40405	0.5
56.64318	0.5
57.03442	1.3
61.02931	1.1
69.03429	3.9
69.07079	1.1
69.19016	3.8
70.06673	0.6
79.05516	1.1
79.06694	0.6
81.03415	1.8
81.07063	1.0
85.02903	12.6
85.03368	1.0
91.05465	1.5
94.04176	0.9
95.19888	0.6
96.22702	0.6
97.02902	4.6
99.08085	7.6
103.05488	0.7
105.07032	2.3
109.02916	0.7
109.06498	0.8
117.07024	1.7
122.03667	3.9
127.03886	1.7
127.04781	0.6
127.10603	0.6
129.06918	0.7
130.07774	1.6
131.04967	3.6
131.08673	0.5
133.06473	1.3
137.05975	80.5
138.06322	1.5
144.05696	1.5
145.05006	1.5
145.06487	8.0
145.10123	15.1
148.05174	0.6
151.07549	2.2
155.08533	1.2
158.07306	2.5
163.07541	2.7
163.98293	0.6
165.09148	2.3
173.09618	32.9
174.09908	1.3
176.08298	1.0
190.09889	0.6
191.10706	0.6
205.12242	100.0
206.12598	3.9
223.13289	20.0
224.13805	0.7
259.09692	1.2
402.55289	0.7
443.07007	0.5
526.21729	0.9
527.24530	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
54.18492	0.8
55.01868	1.2
55.05512	23.1
57.03429	1.9
57.07071	2.9
61.02932	2.1
67.05515	4.6
69.03423	5.3
69.07059	3.9
70.06599	3.0
71.04967	1.3
71.30836	1.6
79.05490	2.9
81.03407	3.0
81.07050	6.1
82.06573	6.7
83.04969	7.2
83.08616	18.1
84.08146	2.1
85.02903	16.4
85.06550	3.0
91.05479	4.6
93.07046	3.9
94.04184	1.9
94.07387	1.2
95.04988	2.1
95.08587	3.4
95.72090	0.8
97.02882	6.4
97.06577	1.4
98.09682	2.2
99.04461	1.5
99.08103	7.9
99.34431	0.9
100.07633	10.8
100.11255	72.4
101.05999	1.0
101.11578	2.6
103.05476	1.9
105.07019	6.6
107.08598	1.4
109.06517	2.2
109.10137	2.5
110.06038	3.4
111.04445	18.1
112.07613	4.6
117.07014	2.7
117.13913	1.2
119.08632	1.3
121.06496	1.0
121.10164	2.0
122.03643	3.3
123.08059	1.5
123.11733	1.2
126.09162	3.7
127.03896	1.6
128.07077	9.5
129.05444	1.3
129.06993	1.8
130.07793	1.3
131.04887	6.3
131.08578	1.3
133.06491	4.4
133.10161	1.7
135.04408	1.2
135.08051	2.0
135.11693	1.5
137.05975	93.6
138.06322	2.6
139.08647	3.9
140.07057	4.4
141.11484	3.3
143.08620	2.0
144.05713	2.2
145.04997	2.7
145.06497	8.3
145.10109	17.1
147.08058	1.1
147.11696	2.6
149.13271	1.1
151.07542	4.0
155.05986	1.1
155.08600	1.6
155.11235	1.7
158.07263	2.6
159.08031	1.8
161.05916	1.5
163.07547	4.1
164.14299	1.2
165.09103	4.5
166.15897	2.0
171.08034	1.1
173.09607	36.1
174.09886	1.2
175.11224	0.9
176.08322	1.7
178.09370	1.0
180.08667	1.3
181.10115	1.1
182.15405	45.8
183.15733	3.0
187.11227	1.1
189.09097	2.0
190.09760	1.0
192.13820	1.1
195.06447	1.1
199.18120	2.3
201.08958	1.0
204.66531	1.8
205.12241	100.0
206.12595	4.6
207.11702	1.0
209.16501	16.5
210.14891	57.2
211.11089	1.0
211.15204	4.2
214.54099	0.9
223.13303	15.6
226.19145	2.5
227.07108	1.9
227.17564	6.4
228.15970	10.9
245.18597	8.5
268.21365	3.9
309.25323	1.1
326.28049	6.1
329.17371	1.8
331.74597	6.1
336.22791	3.4
337.21133	8.6
340.75290	2.5
343.30655	2.3
355.22308	2.9
361.13837	1.3
381.29932	3.7
389.81271	1.2
395.28079	1.5
404.28421	2.1
435.33286	2.0
436.31497	1.7
444.83014	7.2
445.33160	1.8
453.34460	5.0
453.83539	6.5
454.33511	3.9
456.31287	1.0
471.35440	2.5
490.22748	1.6
490.29071	2.3
508.23419	1.2
508.35922	2.8
508.86240	1.9
517.36865	7.4
517.86963	2.5
526.24561	4.6
526.37775	4.4
527.25012	6.9
552.45251	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	10.1
55.05515	17.7
55.29216	5.3
57.03449	6.6
61.85860	5.3
67.05492	27.0
68.57567	6.4
69.03452	11.6
69.07063	22.2
69.09505	25.8
69.09933	20.8
71.04973	5.4
79.05496	23.8
81.03426	10.1
81.07054	33.9
83.04976	17.8
83.08599	7.7
85.02912	11.0
91.05480	39.7
93.07059	32.0
95.04964	13.0
95.08601	29.1
97.02911	7.6
97.06529	71.2
97.10148	7.7
105.07038	31.6
107.05004	6.1
107.08578	16.1
108.35021	5.5
109.06523	11.9
109.10104	9.1
111.04458	17.1
111.08045	7.3
115.05505	7.2
117.07032	12.2
119.04954	11.2
119.08567	21.6
121.06508	18.0
121.10157	9.6
123.08081	7.4
128.06267	9.9
129.07040	13.8
131.08522	23.8
133.06535	9.8
133.10150	15.0
134.06793	6.1
135.08070	6.5
137.05966	65.3
141.06967	10.7
143.08540	16.5
145.06459	8.1
145.10118	19.6
147.08075	10.3
147.11705	9.2
149.05914	5.6
149.09608	7.3
155.08504	20.0
156.09302	12.1
157.06522	10.5
157.10095	16.6
159.08012	14.9
161.05878	5.7
161.09637	9.9
163.11096	6.4
167.08592	11.8
168.09282	6.9
169.10133	23.9
171.08116	8.2
171.11688	15.2
173.09511	5.6
175.07593	11.8
177.09053	7.2
179.08595	8.3
183.11693	6.4
185.09618	12.4
187.07487	9.2
187.11107	6.9
189.09196	6.9
193.12263	7.6
195.11624	7.2
197.09697	14.9
197.13225	26.1
199.07524	7.0
199.11185	9.3
201.09044	15.2
203.07108	6.3
203.10693	6.9
209.09718	7.4
209.13387	9.2
211.11105	10.6
215.10782	21.0
221.13232	9.6
223.11148	13.3
225.12776	8.0
233.11676	100.0
237.12642	8.7
248.76242	6.4
251.10634	5.8
253.12187	7.2
270.86682	5.9
311.16266	8.5
329.17429	63.0
427.22787	51.6
434.02023	6.9
445.23813	15.7
455.22296	33.6
459.27597	7.6
472.22153	9.7
473.23151	60.0
474.23557	7.2
477.28909	9.3
480.24493	6.2
490.22876	9.3
491.24399	69.9
508.24487	12.4
509.24991	10.3
526.30554	14.4
527.23657	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.3
55.01888	7.1
55.05499	10.9
57.03427	3.0
65.03954	3.2
67.05503	18.6
69.03439	11.4
69.07056	11.0
69.91232	10.2
71.04989	5.0
78.54273	3.8
79.05496	19.4
81.03427	6.8
81.07054	29.0
82.07420	4.3
83.04980	12.6
85.02905	6.4
91.05481	31.1
93.07033	23.8
95.04973	11.8
95.08620	22.2
97.02921	15.5
97.06528	20.9
99.04460	5.3
105.07033	29.2
107.04955	4.4
107.08592	12.3
109.02901	4.4
109.06538	16.9
109.10164	7.3
111.04434	12.7
111.08100	7.3
115.03909	4.7
115.05467	6.2
117.07007	12.2
119.08632	20.9
121.06488	10.9
121.10147	6.9
123.04429	6.0
123.08086	6.9
127.03912	4.2
128.06256	7.8
129.07033	11.5
131.08594	16.0
133.06468	7.1
133.10100	15.7
135.04449	4.7
135.08037	8.9
135.11649	4.3
137.05994	31.7
139.11201	3.6
141.06979	10.0
142.07747	9.0
143.08586	20.5
145.06471	11.9
145.10120	12.6
147.08032	10.8
151.11119	3.3
152.06154	3.8
153.07024	7.0
154.07649	3.6
155.08574	20.9
156.09309	11.4
157.06471	10.0
157.10156	19.4
159.08061	12.7
159.11702	3.8
161.06096	4.0
161.09613	10.0
163.07532	5.6
165.07028	9.3
166.07770	6.3
167.08594	13.4
168.09354	5.3
169.10138	21.9
171.08084	13.3
171.11699	16.0
172.08900	3.9
173.09570	10.6
173.13287	8.2
175.07668	4.3
175.11150	3.5
178.07774	4.1
179.08575	11.7
180.09245	5.2
181.06535	5.6
181.10107	14.4
182.04962	3.6
183.08098	6.5
183.11682	7.9
185.09605	7.1
185.13371	4.3
187.07579	4.7
187.11243	4.4
189.09164	6.5
192.09383	6.6
193.10094	11.0
194.10951	6.6
195.08075	11.3
195.11664	11.2
196.12376	4.6
197.09599	14.5
197.13319	22.2
198.10266	4.0
199.07503	4.1
199.11174	19.5
201.09026	3.9
201.12798	3.4
203.08775	4.1
203.10657	4.6
204.09325	4.2
205.10133	8.0
207.08099	4.8
207.11746	11.6
209.09666	5.9
209.13315	9.4
211.11273	7.0
211.14912	7.6
213.12930	4.1
215.08656	6.1
215.10654	11.1
216.09387	4.2
217.10194	6.8
217.12158	4.8
218.10902	4.4
219.11664	8.7
221.09627	6.5
221.13240	8.1
222.10349	4.7
222.13750	3.9
223.11134	11.1
223.14784	5.4
225.12755	5.9
229.10095	6.2
231.11786	4.9
232.09012	4.1
232.12479	4.7
233.09613	6.4
233.11470	23.6
236.11740	5.1
237.12691	8.8
238.13452	3.6
239.10663	4.1
239.14381	16.0
241.10291	4.7
241.12360	4.4
243.11720	6.6
245.09496	7.7
245.13228	5.6
246.10382	4.8
246.13940	4.2
247.11090	7.9
247.14777	9.6
248.11858	3.6
248.15845	3.4
249.12816	4.1
249.16188	3.6
251.14326	5.8
255.13918	4.7
256.14655	4.0
257.13278	4.0
258.14056	4.5
259.11221	6.2
259.14792	7.6
261.12762	3.5
261.16415	7.4
263.14359	3.8
267.13751	5.6
267.70837	3.8
268.55710	3.8
273.12903	5.8
274.13733	3.6
275.14175	8.5
279.13870	5.5
283.15182	3.9
285.12567	4.9
287.14328	5.5
291.13983	3.9
291.17276	5.3
300.14871	3.9
300.18781	3.9
301.15839	5.5
305.15469	4.1
315.13931	4.8
315.17514	3.7
317.18961	9.3
318.16022	5.2
319.20554	7.2
329.17618	11.8
345.18393	11.6
347.20047	6.4
356.45612	3.7
357.18539	7.7
361.21817	5.3
363.19568	9.4
365.21246	3.8
375.19562	9.3
407.21869	4.0
420.22449	4.0
427.22449	10.0
433.19980	4.4
437.21152	4.6
445.24002	31.9
455.22217	19.7
462.23157	5.9
463.25006	17.1
473.23248	100.0
474.23663	6.1
490.22968	5.5
491.17694	5.4
491.24277	63.1
492.24368	5.9
508.23865	11.6
509.25214	5.8
526.29736	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54747	7.4
55.05512	7.9
57.03436	6.9
64.14038	7.6
65.08070	6.5
67.05502	10.4
69.03446	8.0
69.07059	10.0
69.82000	23.2
69.82410	10.8
81.07045	15.7
89.60002	7.1
91.05456	16.4
92.05748	7.0
93.07047	19.8
95.08615	8.8
98.22684	12.9
99.00822	9.1
105.07030	30.2
107.08602	14.7
111.04438	7.3
117.07001	12.1
119.08581	16.8
121.06485	15.8
123.33630	7.1
129.07033	10.5
130.07942	6.7
131.08549	13.7
133.10112	15.2
135.08011	18.5
142.07794	8.0
143.08551	17.2
145.10179	16.9
155.08578	10.9
157.10039	9.2
159.08041	7.7
159.11670	25.3
161.09645	10.4
165.07086	7.1
169.10249	11.5
171.08078	12.6
173.09607	10.9
181.10184	6.4
186.21642	7.7
191.07059	8.9
192.09583	6.8
193.10118	12.6
195.11728	14.9
197.09485	8.8
199.11247	10.4
207.11725	18.7
209.13530	10.1
223.11157	20.0
225.12738	12.1
235.11127	9.6
237.12677	14.2
259.11417	7.0
259.14703	9.6
264.49579	8.1
287.14481	11.8
393.23965	14.1
409.21768	9.8
427.22864	12.2
437.21063	7.7
445.23709	23.0
455.22055	19.9
457.23627	18.5
473.23325	34.1
490.66995	7.7
491.24301	100.0
492.25159	9.1
526.25250	10.0
527.25879	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51130	2.4
55.05507	2.6
58.20564	2.4
59.93152	2.1
65.03973	3.2
67.05514	6.4
69.03426	16.1
69.07043	2.7
69.07601	22.9
69.14301	2.2
70.97485	2.3
71.04987	2.6
75.93290	2.2
79.05511	20.1
81.07059	68.1
85.02845	2.3
91.05487	18.4
93.07037	10.3
95.04979	7.8
95.08593	8.5
105.07019	15.9
107.08595	10.5
109.06512	23.0
109.10176	3.9
111.04440	3.6
115.05450	3.3
117.07018	11.7
119.04978	3.5
119.08588	17.8
121.06487	11.2
123.04449	5.0
123.08053	8.9
128.06227	6.2
128.09557	3.1
129.07016	9.5
130.68527	2.7
131.08563	16.7
133.06523	11.2
133.10114	5.3
135.08073	7.0
137.05974	80.0
139.04010	2.4
141.07004	7.4
142.07784	7.7
143.08559	18.1
144.09299	3.1
145.06509	7.4
145.10069	11.4
147.08067	13.9
147.11694	4.9
149.09575	4.0
151.07559	5.2
153.07016	3.5
154.07776	4.1
155.08563	15.4
156.09334	6.0
157.06488	3.9
157.10132	32.2
159.08070	10.7
159.11722	4.7
161.05975	5.8
161.09637	13.9
163.07568	4.9
165.07001	4.3
167.08543	6.0
168.09334	5.0
169.10133	25.0
171.08066	8.3
171.11662	11.8
173.09642	7.0
173.13277	4.4
175.07539	3.8
175.11172	18.0
179.07097	3.5
179.08563	6.4
181.10005	11.3
182.07260	3.9
183.11705	9.2
184.08923	2.5
185.09624	19.0
187.11235	3.6
189.09132	7.4
191.10646	3.0
193.10126	7.2
194.10895	3.5
195.11690	7.7
196.12492	3.6
197.09647	16.9
197.13245	9.4
199.11243	9.4
199.14966	3.3
201.09219	4.2
203.10664	45.8
206.10890	3.0
207.11707	8.9
209.09616	3.8
209.13281	10.4
211.11230	10.1
211.14819	20.5
212.15628	2.7
213.12775	4.6
213.16217	2.4
215.10687	4.4
217.12231	4.9
219.11804	2.8
221.11478	15.1
221.13585	4.0
223.11157	10.7
223.14789	5.3
225.12683	5.7
227.10689	6.7
227.14340	4.4
229.12268	8.9
235.14856	3.1
236.11888	2.4
237.12767	5.7
239.14342	25.1
240.14961	4.7
241.12360	3.1
243.10181	3.1
245.13245	2.7
247.14841	3.6
249.12726	4.0
251.14342	4.0
255.13791	7.2
257.15396	13.9
259.14944	2.8
263.14517	3.2
267.13907	4.6
293.15359	2.9
395.23703	2.9
405.20654	2.8
413.24692	7.1
423.22272	7.0
431.25815	100.0
432.26471	11.7
433.19983	9.5
433.27155	4.8
435.21649	5.4
441.24213	8.0
445.20139	5.3
451.20972	36.6
459.25293	56.3
460.25513	6.3
463.21054	14.0
477.26376	55.3
478.26736	6.3
481.22290	17.0
491.21338	2.8
492.94501	2.6
509.21207	3.0
527.22284	2.4
527.33221	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
53.23092	1.2
55.05505	5.1
67.05488	4.6
69.03426	2.3
69.19751	3.1
69.20157	7.8
71.23544	1.2
79.05495	3.7
81.07053	6.4
83.04977	12.0
87.21234	1.3
87.89452	1.3
91.05453	6.6
93.07048	10.6
95.04932	1.9
95.08591	8.4
97.06560	1.4
97.39365	1.6
105.07035	6.6
107.08595	2.9
109.06495	4.1
109.10178	2.2
111.04456	6.0
111.08082	5.5
117.07027	4.3
119.08572	11.8
121.06522	2.1
123.08054	1.3
128.06219	2.6
129.07002	3.7
131.08556	5.1
133.10127	8.8
135.08055	3.2
137.05971	5.4
139.07568	2.1
141.06989	3.2
142.07829	4.1
143.08575	6.0
144.09416	2.2
145.06505	1.7
145.10100	3.6
147.07993	1.7
147.11667	4.3
153.07005	2.5
154.07730	2.0
155.08583	10.7
156.09338	2.6
157.10147	4.6
159.08118	2.5
159.11702	4.6
159.29922	1.5
161.09538	1.6
166.40222	1.3
167.08601	3.2
169.10138	10.3
171.08014	2.0
171.11676	4.2
172.08745	1.8
173.09573	1.7
179.08566	5.2
180.09268	1.7
181.10121	2.7
183.11746	3.7
185.09630	1.5
187.11198	5.0
192.09418	3.5
193.10094	3.3
194.10919	2.4
195.08241	2.3
195.11752	3.9
197.09613	8.5
197.13164	2.0
199.11205	1.8
199.14725	1.4
205.10104	3.8
206.10991	3.1
207.11696	8.2
208.12395	1.7
209.13281	4.3
210.14075	1.3
211.11180	2.4
213.08899	1.3
215.10620	12.6
216.09218	1.7
217.10162	2.5
218.10915	3.0
219.11690	5.4
220.12468	1.5
221.09676	1.6
221.13239	3.9
223.11012	1.3
225.12714	2.0
227.14317	2.7
229.10056	2.4
230.10835	2.0
231.11714	4.5
232.12335	2.5
233.13260	3.7
235.11021	1.5
235.14841	2.2
237.12721	1.6
243.11725	4.7
244.12405	3.8
245.13185	6.4
245.15414	2.5
246.13829	1.6
247.11150	2.3
247.14764	3.5
248.12108	1.5
249.12756	1.8
255.13853	2.5
257.13260	3.3
258.14017	4.0
259.11139	1.6
259.14853	7.3
261.12817	1.6
261.16357	2.0
263.14243	1.6
267.13879	2.9
269.13187	3.0
270.13995	2.6
271.14777	3.7
272.15500	2.3
273.13077	1.6
273.16394	5.4
274.16992	1.5
275.14493	1.8
283.14651	3.2
285.16394	3.5
286.16989	2.2
287.14401	2.7
287.17706	2.6
289.15997	1.5
299.14398	1.6
299.17935	5.1
301.15857	4.9
301.19266	1.9
303.17297	2.5
313.15765	1.7
323.20041	2.5
325.16052	2.3
327.17361	3.7
331.20703	1.4
345.18524	4.9
360.20822	1.8
399.23367	2.7
413.24673	7.5
415.26428	3.6
423.23035	3.3
431.25616	5.2
441.24213	47.0
442.24445	5.8
459.25299	100.0
460.25903	8.0
477.26254	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.1
53.11141	1.8
55.01875	10.3
55.05513	12.1
57.03435	18.0
57.07063	6.2
61.02932	10.8
67.05512	15.2
69.03433	30.9
69.07061	6.5
71.01354	4.0
71.04976	2.6
73.02921	23.9
79.05485	2.7
81.03408	5.7
81.07054	35.2
82.73129	1.7
83.08617	10.9
85.02908	100.0
87.04471	3.8
91.03931	3.0
93.07015	2.1
95.08608	44.2
97.02288	2.6
97.02897	36.3
97.10179	13.1
99.04459	4.7
103.03934	3.5
108.01101	1.7
109.02884	6.6
109.10158	54.3
110.10434	2.0
114.17828	1.7
115.03944	16.2
115.11221	3.9
117.36631	1.9
121.10169	2.2
123.10825	3.4
123.11710	60.2
127.03912	26.6
132.06560	2.1
133.04956	23.5
134.13881	1.9
137.05957	4.9
137.13254	25.2
141.72038	1.8
145.03860	3.8
145.04958	49.2
150.07657	3.3
163.06032	28.6
178.46010	2.1
179.17958	57.2
180.18231	3.1
189.25195	2.2
192.82854	2.1
197.19020	47.8
198.19322	2.1
359.24017	4.3
527.24377	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26948	1.6
55.05501	3.4
65.48540	1.3
67.05501	6.6
69.07066	3.9
69.58992	7.3
73.65421	1.6
74.79227	1.6
75.05381	1.3
79.05483	3.4
81.07041	9.1
83.04995	4.6
83.08637	1.5
85.06553	2.3
91.05476	6.0
93.07012	8.2
95.04929	2.0
95.08616	15.8
101.60492	1.5
102.82450	1.4
105.07036	9.5
107.08607	8.1
109.06528	2.6
109.10144	2.2
111.04453	1.8
111.08067	3.2
117.06991	2.8
119.08599	9.2
121.06532	1.6
121.10143	3.2
123.08060	7.2
128.06161	1.8
129.06987	2.3
131.08536	7.5
133.10109	7.9
135.08018	3.4
135.11697	2.8
135.77689	1.5
138.07167	1.5
139.07503	2.0
141.07054	2.9
142.07756	2.1
143.08568	8.9
145.10097	5.9
147.08092	1.9
147.11685	2.6
149.09608	2.0
154.07799	2.0
155.08549	10.9
156.09325	1.7
157.10120	16.4
159.11713	5.0
161.09618	3.3
163.11217	2.0
165.07042	1.6
166.07829	1.6
167.08510	2.5
169.10153	9.1
171.11707	6.5
173.13167	1.8
175.11153	3.0
178.07854	1.9
179.08583	5.3
179.10664	2.4
181.10124	8.1
182.10837	1.8
183.11656	8.2
185.09673	2.3
185.13225	3.5
189.12769	2.5
192.09320	1.9
193.10136	9.1
194.10838	1.6
195.11771	9.8
197.09673	2.4
197.13252	5.5
205.10101	3.2
206.10820	3.1
207.11700	16.9
208.12474	3.1
209.09538	2.8
209.13226	17.1
210.13943	3.8
211.11209	1.8
211.14883	3.6
211.39932	1.6
213.09145	1.9
219.11702	3.6
221.13219	13.0
223.11130	2.1
223.14833	12.3
225.12729	2.6
227.10587	1.6
231.11749	2.0
233.13272	4.6
235.14896	5.6
237.16362	2.8
239.14348	2.9
247.14787	3.3
249.12799	4.0
249.16301	4.5
251.14279	6.1
257.15393	2.0
261.16602	1.9
263.14301	2.5
263.17972	10.0
264.18753	1.6
265.15814	3.9
265.19431	2.1
267.13791	4.4
269.15381	3.1
273.12860	1.4
277.15900	3.0
277.19250	2.0
281.15414	2.0
283.16989	3.9
287.14410	1.7
287.17810	2.0
289.19412	1.8
291.17374	2.5
295.16577	2.2
303.17505	2.0
305.18887	6.8
306.60123	1.6
321.18698	1.8
323.20071	11.7
331.20697	2.0
335.19727	1.6
349.21860	3.7
363.23257	2.9
379.21338	1.7
385.25076	3.0
389.21017	2.3
403.26328	64.6
404.26544	3.6
407.22354	2.3
417.27933	6.7
419.29453	10.9
427.26239	5.7
445.27350	39.7
446.27637	3.4
463.28406	100.0
464.28647	8.6
481.29276	6.1
526.29236	16.0
527.29889	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.8
60.05649	9.6
62.23159	1.0
67.05502	5.8
69.07066	2.7
69.22335	8.7
79.05483	2.3
81.07082	5.3
83.04982	3.5
84.37569	1.1
85.06559	1.6
86.88990	1.1
91.05484	4.9
93.07066	7.9
95.05006	1.7
95.08603	11.9
96.95542	1.4
97.06529	1.3
105.07021	8.0
107.08585	6.9
109.06528	1.7
109.10191	2.2
111.04481	2.0
111.08136	2.4
117.07010	2.0
119.08578	8.9
121.06500	1.3
121.10159	3.9
123.08105	4.0
128.06262	1.4
129.07001	2.9
131.08592	5.1
133.10150	6.4
135.08063	4.1
135.11658	1.4
137.06030	1.4
139.07599	2.9
141.06953	1.5
141.87215	1.3
142.07819	3.7
143.08563	9.3
144.71066	1.4
145.06477	1.4
145.10109	8.5
147.11722	2.7
155.08519	7.9
156.09355	3.1
157.10120	12.6
159.08069	2.2
159.11688	8.5
161.09679	2.7
165.06937	2.0
167.08635	3.2
168.09236	1.2
169.10114	7.1
171.11699	5.6
173.13287	2.9
175.11180	2.4
179.08652	3.7
179.10652	2.6
180.09358	1.7
181.10143	5.7
183.11644	5.7
185.09708	1.5
185.13235	3.5
187.11206	2.5
189.12766	2.7
192.09373	2.1
193.10126	6.0
194.10913	1.7
195.11635	8.8
197.09610	1.5
197.13260	5.9
199.11182	2.9
199.14870	1.7
202.33786	1.4
205.10100	2.0
206.10962	2.4
207.11705	15.8
208.12543	2.3
209.13239	9.7
210.13777	1.3
211.11195	1.7
211.14813	2.4
217.10057	1.9
217.12234	1.9
219.11786	4.3
220.12549	1.5
221.13228	9.4
223.14767	7.5
225.12778	1.7
225.16374	2.2
227.10709	1.9
227.14191	1.5
231.11880	1.2
233.13341	3.9
234.13988	1.5
235.14845	5.1
237.12874	1.6
237.16324	2.8
239.14218	2.6
247.11208	1.5
247.14938	2.9
249.12782	5.7
249.16371	3.9
251.14326	2.5
257.15369	2.0
261.16595	1.6
263.14407	2.1
263.17953	6.5
265.16006	2.5
267.13797	11.4
269.15399	4.7
277.15970	1.2
277.19458	2.6
279.13754	1.2
279.17410	1.9
281.15393	1.9
283.17099	2.2
293.15277	1.6
295.17123	2.5
297.18542	5.3
303.17743	1.5
305.18958	5.6
307.16953	1.4
323.20044	13.7
325.21603	4.9
347.20084	1.4
349.21606	1.8
403.26358	16.6
407.22043	2.2
417.27924	5.9
419.29556	6.2
427.26343	3.8
437.27136	1.5
445.27396	26.5
458.20703	1.4
463.28445	100.0
464.29047	7.0
481.29486	7.0
486.74762	1.3
526.34991	1.9
527.31775	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74840	1.8
53.75106	2.0
55.05514	5.9
55.88031	2.4
56.46905	2.4
57.94523	1.8
67.05511	9.5
69.07059	4.0
69.41856	4.1
69.42257	9.8
79.05494	5.1
81.07065	9.4
83.04989	5.0
83.32725	2.1
85.06558	2.2
91.05494	8.7
93.07050	17.9
95.08609	23.7
105.07049	14.0
107.08582	10.9
109.10184	5.6
111.04474	3.4
111.08089	4.0
115.32918	1.9
117.06984	3.4
119.08585	14.8
121.06546	3.2
121.10145	5.1
123.08044	5.2
129.07014	6.2
131.08549	12.5
133.10150	10.5
135.08070	11.3
139.07530	2.0
141.07002	2.7
142.07790	5.1
143.08597	12.1
145.10115	9.1
147.08060	5.1
147.11713	6.2
153.63702	2.3
155.08560	8.4
156.09331	4.1
157.10172	14.2
159.08133	4.1
159.11745	6.8
161.09660	7.9
161.13339	2.4
165.07080	2.7
167.08549	4.6
169.10129	11.8
171.08070	2.3
171.11729	12.2
173.13264	3.2
175.11162	6.6
179.08537	3.7
179.10704	2.8
180.09360	2.3
181.10150	9.4
183.08070	3.4
183.11673	12.4
185.09633	2.5
185.13304	5.3
186.13901	2.2
187.11108	3.5
189.12741	3.5
192.09317	2.7
193.10126	11.9
195.11708	13.7
197.09717	4.9
197.13278	8.0
199.11237	5.7
199.14931	5.0
201.12852	3.1
205.10217	3.6
206.10855	3.2
207.11748	13.1
208.08791	2.6
208.12451	4.2
209.13237	12.7
211.11147	2.7
211.14815	6.0
217.12172	2.8
219.11676	3.0
221.09612	5.3
221.13257	17.7
223.11179	3.9
223.14847	8.2
225.12833	4.3
225.16412	3.2
231.11737	3.1
233.13211	3.4
234.13829	2.5
235.11201	3.5
235.14771	11.3
237.12715	3.2
237.16447	4.0
239.14307	5.1
243.13882	2.1
245.13229	3.3
247.11255	2.2
247.14838	3.2
249.09103	2.3
249.12753	6.4
249.16553	4.3
250.16945	2.2
251.14326	9.1
257.15405	3.1
261.16251	2.4
263.10635	2.4
263.14352	7.9
263.17975	4.6
265.15912	5.7
267.13821	4.2
267.17264	2.3
269.15417	8.8
275.14658	2.8
275.17755	2.4
277.15851	6.6
277.19373	4.9
281.15317	3.7
285.07541	2.9
287.17834	2.8
289.15848	5.3
291.17395	3.3
293.11679	2.7
295.13385	2.6
295.16788	4.7
300.09833	2.5
303.17538	2.7
305.18970	17.3
308.10196	2.3
309.11227	3.5
314.11642	2.8
323.12601	4.0
323.20023	14.6
325.21588	4.1
331.20642	2.7
341.13824	9.2
355.15445	18.6
356.16141	24.7
387.18051	26.2
388.18295	3.5
399.26691	3.8
403.26498	19.8
407.22458	2.2
417.27957	17.3
419.29626	4.7
427.26392	14.3
445.27396	78.4
446.27890	5.8
463.28433	100.0
464.28851	8.6
481.29410	14.4
526.35608	3.8
527.37292	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.2
67.05509	8.5
69.07084	4.3
71.30573	2.7
71.30916	3.9
78.57072	2.3
79.05492	5.5
81.07050	7.7
83.04990	8.4
88.39832	2.4
91.05487	8.1
93.07054	15.3
95.04949	2.7
95.08632	17.1
100.83914	2.4
105.03379	6.2
105.07037	10.8
107.08614	5.9
109.06552	3.5
111.04433	5.6
111.08083	7.0
119.08596	11.0
121.06516	3.5
121.10151	4.7
123.08091	3.0
129.06958	3.9
131.08571	8.1
133.10135	10.0
139.07518	3.1
142.07806	3.6
143.08574	7.5
145.10143	11.8
147.11697	3.7
151.44981	2.5
155.08580	10.9
157.10106	9.6
159.08072	4.4
159.11722	7.2
161.09639	4.3
163.07655	3.5
167.08672	3.1
167.22260	2.9
169.10133	8.2
171.11674	8.0
175.11198	3.1
179.08481	2.9
181.10115	5.9
183.11652	7.4
185.13271	5.2
193.10138	5.9
195.11691	8.4
196.12338	3.1
197.13264	5.7
199.14680	4.0
201.12772	7.0
202.43076	2.7
207.11732	9.4
209.13231	6.2
211.14888	4.9
219.11699	4.8
219.13779	7.7
220.12331	3.1
221.13290	8.1
223.14818	5.2
233.13380	3.5
235.14822	5.8
237.16183	2.9
245.13232	2.8
245.15413	2.9
251.14304	6.6
263.14291	6.4
263.18079	3.1
277.15790	3.8
281.15518	4.4
289.16190	3.4
291.17575	3.9
305.19022	9.2
323.20132	4.5
331.20578	3.4
349.21719	4.9
364.23862	3.4
372.08954	2.8
417.27823	5.3
427.26358	12.9
445.27286	25.7
463.28424	100.0
464.28616	7.4
526.35760	5.2
527.36835	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.05509	13.8
57.03432	12.8
57.07083	3.5
59.04995	3.5
64.07160	1.2
65.03957	1.8
67.05505	100.0
68.05827	1.3
69.07078	14.9
71.04994	2.7
72.16177	1.3
76.56675	1.3
79.05501	10.6
81.07056	45.2
81.07522	2.8
83.04984	1.2
83.08619	14.2
85.06551	1.7
89.06036	19.4
91.05495	11.3
93.07047	11.4
95.08601	32.6
97.06514	3.5
97.10168	3.5
105.07040	4.9
107.08573	6.1
109.10154	71.1
110.10513	1.4
111.08096	3.1
116.60951	1.4
119.08611	7.4
121.10147	4.6
123.11688	3.4
133.08629	10.8
133.10150	4.2
135.11725	2.1
137.09630	2.8
147.11700	3.7
149.13242	1.6
155.10678	3.8
161.13293	1.5
173.11734	19.2
177.11272	3.3
229.14351	65.7
245.22569	2.6
263.23746	3.6
294.97693	1.3
327.20139	5.4
337.27362	72.0
338.27695	4.9
491.37296	47.3
491.42850	1.0
492.37729	4.3
517.96655	1.3
526.35168	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.8
57.07077	55.6
58.07420	1.3
62.76138	0.9
67.05524	2.1
69.07069	9.7
69.08767	5.9
69.09168	1.9
71.08635	55.5
73.06552	3.8
79.05522	1.2
80.81668	0.9
81.07062	2.2
83.08620	2.7
85.10184	33.7
86.10477	0.9
87.04472	4.5
89.06033	100.0
90.06374	1.5
91.05482	1.6
91.07581	1.2
93.07044	1.4
94.43377	0.9
95.04961	1.1
97.10160	3.2
99.11732	8.3
99.76334	0.9
101.71132	1.0
105.07018	2.5
105.24883	1.0
107.07056	2.8
107.08587	3.6
109.10127	1.9
111.11707	3.7
113.13276	7.3
117.09135	3.6
119.08574	1.2
123.11711	1.2
125.13288	2.4
127.14820	3.5
131.07037	1.8
131.08575	1.0
133.08606	66.1
133.10187	3.5
134.08978	1.2
135.10176	0.9
153.05525	1.7
163.07504	1.3
167.07068	7.1
177.08890	0.9
177.11227	21.2
177.12798	1.5
178.11507	0.9
179.98001	1.0
183.21071	1.6
183.37616	0.9
192.03299	0.8
205.12282	2.7
221.11818	1.6
221.13844	4.5
227.23567	1.7
235.13370	2.0
237.14864	2.8
239.14845	3.9
241.04875	1.0
271.26367	2.5
283.06152	1.1
283.17502	3.2
293.11777	1.4
295.13257	1.0
307.15579	1.0
314.07858	6.8
315.28931	2.5
321.11246	3.2
327.20148	16.7
353.13739	6.6
365.10516	2.8
383.14853	13.6
465.37564	1.1
483.27286	1.4
509.40359	10.9
510.40607	2.4
526.17926	0.9
526.42395	1.7
527.15509	3.4
527.33105	1.3
544.30920	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93472	1.3
55.05510	3.9
57.07078	62.5
60.05663	3.5
67.05501	2.3
69.07063	7.7
71.08635	56.3
72.08969	1.5
73.06554	4.7
79.05491	3.2
80.42242	1.2
81.03425	2.6
81.07053	4.8
83.08604	3.4
85.10184	30.2
86.37910	1.4
87.04447	3.2
89.06033	100.0
90.06317	1.3
91.05469	4.7
91.43964	1.3
93.07036	2.5
95.08613	2.2
97.06501	1.4
97.10184	2.8
98.22640	3.6
99.11729	6.5
105.07016	2.6
107.07057	2.5
107.08607	2.9
109.10140	2.0
111.11756	3.4
113.13272	5.2
117.09125	2.0
123.11726	1.8
125.13278	2.6
127.14865	3.3
130.08655	1.5
131.08575	2.0
133.08604	58.0
135.10100	1.9
153.05528	2.0
167.07054	3.8
174.15147	1.6
177.11221	22.8
205.12222	1.8
221.13881	4.0
235.13092	1.6
239.14900	3.9
247.46664	1.4
256.26126	2.0
271.26257	1.9
283.17593	3.8
315.29053	4.0
327.20178	14.9
365.10364	2.8
412.15799	1.6
509.40448	12.8
526.31177	2.0
526.42633	2.2
527.15686	3.5
527.32318	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1586
Annotation	(-)-Indocarbazostatin B
Peak:m/z	Relative Intensity
59.96796	0.4
60.84599	0.4
102.67832	0.5
106.02376	0.4
108.75437	0.4
119.01900	0.7
131.01884	0.8
143.01842	0.9
155.01862	4.3
161.02931	0.9
173.01781	0.4
173.02965	5.5
185.02876	1.1
185.04207	1.7
191.45697	0.4
197.03065	0.4
203.05309	7.4
210.60944	0.4
212.85088	0.7
245.05035	4.5
260.17032	0.4
263.05942	0.5
289.24561	0.5
305.07288	3.8
306.07379	0.5
347.09467	3.5
365.10526	100.0
366.10895	4.3
407.10361	1.9
434.15747	0.5
527.15808	98.6
528.16132	6.7
529.59583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.159
Annotation	Unknow
Peak:m/z	Relative Intensity
60.37233	0.5
70.76855	1.0
101.00825	0.7
108.75440	0.6
119.01877	1.0
131.01839	1.5
143.01854	1.6
145.03508	0.5
155.00751	0.7
155.01888	8.3
157.03438	0.4
161.02892	1.5
167.01868	0.5
173.01546	0.8
173.02965	10.9
174.03163	0.8
185.02902	1.9
185.04413	2.1
187.04652	0.5
197.03023	0.7
203.05333	8.5
215.03983	0.7
245.05089	8.4
246.05266	0.5
254.05527	0.5
257.04971	0.8
275.06006	0.8
305.07147	6.5
337.78635	0.5
347.08990	2.2
365.10532	100.0
366.10941	4.0
407.10211	3.1
487.39459	0.5
527.15833	98.7
528.16119	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.166
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	0.5
69.58787	2.4
83.04969	1.4
85.02856	0.4
95.04967	0.7
106.06522	0.6
107.04960	0.6
107.08591	0.7
111.04415	0.6
117.05744	1.4
118.06535	4.5
129.05719	0.5
130.06479	0.6
131.04915	0.6
132.04453	6.4
133.02855	1.5
133.05226	5.9
134.03615	0.8
134.05969	1.8
144.04414	0.5
145.05241	3.1
145.07599	3.3
146.06009	16.5
146.08388	3.0
147.06792	2.7
155.06026	4.0
156.06819	3.2
157.05226	3.2
158.06004	0.7
159.04376	0.9
159.05544	1.3
160.03923	7.1
161.02321	1.2
161.04697	3.8
162.05487	4.6
163.03918	0.9
171.05562	0.6
172.06306	4.1
173.07100	69.3
174.07877	100.0
175.08272	3.4
186.05646	0.5
189.06580	0.5
191.03383	0.6
194.09738	0.5
204.08112	0.6
206.09622	0.7
216.08183	0.7
220.07520	0.4
222.09123	1.6
232.07535	1.7
234.09174	1.4
236.06976	0.6
244.07478	0.7
250.08617	3.0
252.10278	0.7
258.05530	0.6
260.07010	2.0
261.10236	0.9
262.08780	1.1
264.06482	0.5
272.07013	1.2
278.08105	5.5
279.08829	0.6
282.07468	0.6
288.06381	0.6
289.09686	1.1
290.08051	2.3
292.09470	0.7
296.09183	1.3
300.06628	0.7
306.07596	21.6
307.07855	2.2
307.11127	0.7
308.09207	1.8
309.06400	1.0
317.09207	6.3
318.07388	2.8
318.10080	3.2
324.08640	12.7
325.08618	0.6
325.12057	1.1
335.10242	17.4
336.08231	2.0
353.11249	3.8
452.00284	0.4
452.13000	2.1
470.14331	0.5
480.12881	1.0
491.14069	0.7
492.14871	1.1
498.13934	8.8
499.17035	0.7
509.15561	15.6
509.23254	0.8
510.14597	2.3
527.16632	12.2
528.16858	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24280	0.4
57.07081	2.4
58.19464	0.4
69.07031	0.8
69.07217	1.0
69.07639	2.4
71.05792	0.4
71.08627	2.6
73.06541	0.5
84.87899	0.4
85.10178	1.4
86.50897	0.5
89.06024	5.4
91.05514	0.5
97.36377	0.5
98.22644	0.9
99.11739	0.4
133.08594	3.4
139.06421	0.4
144.19722	0.4
150.14661	0.4
153.78316	0.4
165.05479	0.9
165.06960	0.5
177.11217	1.2
179.08672	0.4
181.06509	0.5
183.04422	0.8
183.08054	1.3
185.05969	0.5
193.06491	0.6
195.08095	0.8
197.05969	1.9
197.09708	1.0
198.06761	1.9
203.08624	0.6
207.08067	1.1
210.06764	1.6
211.03882	0.8
211.07481	2.2
212.04759	0.6
213.05463	1.4
219.08115	0.7
220.08905	1.8
221.09654	0.8
223.07536	0.6
224.04837	0.6
224.08408	0.9
225.05428	1.5
225.09061	3.7
226.06209	2.0
227.07040	0.9
235.07565	0.6
235.11198	2.8
236.08150	0.6
236.11797	0.6
237.09135	1.1
238.06313	1.1
238.62366	0.4
239.07018	2.5
240.04160	1.0
240.07762	1.3
241.05026	3.2
241.08661	0.7
242.05609	0.8
245.09679	0.5
247.07501	0.5
248.08313	2.7
249.08913	1.9
250.06241	0.8
250.09830	0.9
251.03439	0.6
251.07074	1.0
251.10664	0.5
252.07777	0.8
252.11513	0.6
253.05217	0.9
253.08629	3.0
254.05737	1.5
255.06541	6.0
255.10106	1.1
256.07257	7.2
257.07608	0.8
261.09073	1.4
262.09943	1.1
263.07132	1.0
263.10672	6.2
264.07907	0.7
264.11319	0.9
265.08600	2.5
265.12277	0.8
266.05783	0.5
266.09128	0.7
267.06436	0.8
267.10031	0.6
267.13824	1.1
268.03745	0.5
268.07306	1.7
269.04535	3.6
269.07813	3.3
270.08691	0.6
275.06958	0.6
276.07867	1.2
277.08539	1.7
277.12213	0.4
278.09402	1.6
279.06870	0.7
279.10083	2.3
280.10703	1.9
281.04419	1.2
281.07788	0.6
282.05295	0.7
283.06024	7.7
283.09607	3.0
284.06699	2.7
285.07495	1.5
290.09335	0.8
291.06842	0.8
291.09985	4.4
292.10876	1.2
293.08026	1.4
293.11700	5.8
294.09442	0.5
294.12305	1.9
295.06253	0.8
295.09683	1.3
295.13263	5.7
296.06870	2.1
296.13684	0.5
297.07596	4.4
298.08182	0.9
299.05618	0.9
299.09186	0.5
300.06235	3.2
305.08209	0.5
306.08673	1.9
307.09564	3.3
308.10336	1.2
309.07776	0.5
310.08322	2.9
310.12015	1.5
311.05566	0.5
311.09048	6.1
311.12305	0.6
312.06067	0.7
313.07004	4.2
314.07819	46.3
315.08310	4.7
321.11179	16.7
322.11859	4.6
323.09091	2.3
323.12747	6.8
325.11069	0.2
325.14310	7.2
326.07813	1.0
326.14801	0.6
327.08542	5.2
327.20001	1.0
328.09396	1.3
337.10587	0.6
338.11459	3.9
340.09390	0.8
341.10175	7.2
352.13037	2.3
353.13809	46.6
354.10617	0.6
354.14267	3.2
355.11340	0.7
355.15405	0.9
368.12579	1.2
383.14859	100.0
384.15216	7.4
405.13037	3.3
499.04926	0.4
509.40814	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2272
Annotation	Henridilactone C
Peak:m/z	Relative Intensity
53.03899	1.0
55.01821	1.8
55.05463	2.2
56.91027	0.3
56.95265	0.3
57.03387	1.4
61.35036	0.3
65.03890	0.8
67.05503	3.3
68.99722	0.4
69.03432	2.3
69.07113	4.3
71.04945	0.8
79.05486	3.8
81.03388	0.4
81.07050	4.0
82.37559	0.3
83.01348	5.2
83.04933	1.3
85.02841	1.1
85.06515	0.6
91.05479	7.8
93.07042	4.3
95.04964	2.8
95.08595	4.7
97.02827	0.4
97.06540	2.6
99.04391	1.0
103.05399	1.0
105.03336	0.6
105.07031	8.6
106.07323	0.5
107.04967	2.0
107.08591	4.7
108.11847	0.3
109.06510	6.7
109.10093	1.3
111.04394	0.7
111.08076	2.0
115.05409	2.3
116.06200	0.4
117.07011	6.7
118.06489	0.3
118.07340	0.3
119.04877	1.1
119.08583	5.3
120.04784	0.4
121.02879	0.5
121.06497	3.8
121.10142	2.1
123.04374	1.4
123.08073	5.1
123.11643	0.4
125.05962	2.4
125.09628	0.5
127.03880	0.5
128.06207	3.1
129.07004	6.3
130.07697	1.4
131.04868	0.9
131.08565	8.1
133.06491	2.7
133.10135	4.4
135.04376	0.8
135.08063	3.0
135.11623	0.7
137.05983	4.1
137.09531	1.7
139.06625	0.3
139.07512	3.1
141.05962	0.4
141.06987	5.4
142.07784	2.9
143.08569	8.0
144.09215	1.3
145.06468	2.6
145.10118	7.9
146.07184	0.6
146.10388	0.6
147.07092	0.4
147.08047	4.6
147.11694	1.9
149.05894	1.3
149.09613	3.1
151.03859	0.7
151.07556	3.0
151.11121	0.6
152.06107	0.4
153.05533	0.5
153.06929	1.6
154.07784	3.6
155.05887	0.6
155.07190	0.6
155.08551	12.3
156.09177	1.3
157.06451	1.2
157.08914	0.4
157.10115	5.6
158.07205	1.0
158.10707	0.5
159.08058	5.3
159.11700	8.2
160.08734	0.5
160.12015	0.4
161.05901	1.6
161.09615	5.4
161.13246	0.4
162.09918	0.4
163.07468	1.5
163.11113	1.4
165.05576	0.6
165.06932	1.4
165.09050	1.0
166.07695	0.6
167.07196	0.6
167.08571	3.9
167.91431	0.3
168.09244	1.0
169.06450	0.7
169.10130	10.8
170.10806	0.8
171.08020	3.4
171.11705	2.4
172.08687	1.3
173.05896	1.5
173.08238	0.5
173.09610	7.6
173.13203	0.6
174.06773	0.4
174.10152	0.4
175.07512	2.8
175.11179	2.8
177.09148	3.6
177.12711	0.6
178.07709	0.7
179.07068	0.7
179.08435	1.7
179.10593	1.3
180.07635	0.3
180.09203	1.4
181.06389	0.5
181.10114	3.4
182.10658	0.6
183.07974	1.2
183.11690	3.5
184.08810	0.4
185.08162	0.4
185.09627	4.4
185.13170	1.2
186.10229	0.6
187.07472	1.4
187.09660	0.6
187.11177	8.8
188.11501	0.8
189.07399	0.5
189.09082	4.0
189.12708	1.1
190.09798	0.4
191.06958	0.8
191.08595	0.5
191.10646	2.0
192.09273	1.1
193.08586	0.4
193.10170	2.7
193.20599	0.4
194.10854	1.0
195.07942	1.3
195.11716	2.8
196.08670	1.0
197.09615	3.1
197.13188	1.4
198.10382	0.4
199.07526	0.5
199.11217	2.8
201.09119	1.9
201.12708	1.4
203.06914	1.2
203.08673	0.8
203.10611	3.4
203.14230	0.8
204.09277	0.8
204.11122	0.4
205.08531	1.3
205.10106	1.0
205.12033	0.7
206.10857	1.0
207.06435	0.4
207.08424	0.4
207.09898	1.8
207.11772	2.6
208.12379	0.6
209.09727	1.9
209.13315	2.6
210.10327	0.5
210.13895	0.5
211.07460	0.7
211.11177	2.3
211.14752	0.9
212.11806	0.6
213.09062	2.2
213.12659	2.1
215.06966	0.5
215.08861	0.4
215.10645	2.3
216.09286	0.4
217.10156	0.6
217.12033	0.6
218.10867	0.6
219.09851	0.6
219.11951	2.0
220.12294	0.9
221.09601	1.2
221.13286	1.9
222.10316	1.5
222.13887	0.6
223.07524	0.4
223.11179	1.9
223.14714	1.0
224.11848	0.6
225.09001	1.2
225.12730	1.7
226.13286	0.5
227.10628	2.0
227.14246	1.9
229.10181	0.8
229.12112	1.8
230.10844	0.7
231.09839	0.6
231.11786	0.7
231.13710	0.4
232.12372	0.7
233.09590	0.7
233.13213	1.3
234.13884	0.4
235.11160	1.7
235.14925	1.8
236.11922	0.4
237.12778	3.6
237.16348	0.6
238.13359	0.7
239.10654	0.8
239.14233	1.3
241.12254	1.1
241.15822	0.6
243.11797	0.6
243.13789	0.5
244.12381	1.0
245.09547	0.5
245.13295	1.1
246.10443	0.6
246.13837	0.5
247.10995	1.1
247.14836	1.2
248.11870	0.9
249.12769	1.7
249.16371	0.9
251.10689	0.6
251.14206	1.4
253.12166	1.3
253.15764	0.7
255.13792	0.9
257.13193	0.5
258.14059	0.4
259.11105	0.6
259.14761	1.6
260.11914	0.6
261.12714	1.5
261.16409	0.6
262.13467	0.5
263.14294	2.0
263.17868	0.6
265.12192	1.3
265.15869	0.9
266.13010	0.5
267.13773	0.8
267.17435	0.8
269.11179	0.4
273.12738	0.8
273.16327	0.9
275.10690	0.5
275.14209	1.5
275.17722	0.4
277.12274	0.6
277.15799	2.2
279.13742	1.4
279.17230	0.5
281.11685	0.5
281.15106	0.9
283.13501	0.4
287.14609	0.7
289.12027	0.5
289.15936	0.7
291.13864	0.8
291.17368	1.3
293.15305	1.2
293.18622	0.8
295.13400	0.7
295.16849	1.9
297.14627	0.5
301.15823	1.3
301.19318	0.5
303.13828	0.8
303.17413	0.9
305.15421	1.7
307.13339	0.7
309.14743	0.7
309.18393	0.7
315.17209	0.6
319.13342	0.5
319.16840	2.7
319.20468	0.6
321.14890	0.9
321.18280	0.7
323.16336	1.6
329.15237	1.0
329.18851	0.7
331.16800	0.4
333.14749	0.5
333.18289	0.6
337.17944	3.6
341.17557	0.6
343.16696	0.7
347.16321	2.8
347.20129	1.3
349.17877	1.3
349.21750	0.6
351.15710	0.6
355.19083	0.4
357.18378	0.6
359.20181	0.6
361.17892	0.6
363.19522	0.6
365.17313	2.9
365.21240	1.6
375.15533	0.7
375.19757	3.0
377.21243	1.8
379.19012	0.9
383.18439	0.6
389.21249	0.5
393.16809	0.9
393.20847	5.1
395.22101	1.3
403.19034	3.0
405.20633	1.4
407.18307	0.9
409.24069	0.5
411.16803	0.4
411.22064	4.3
417.20801	0.7
421.20132	7.2
422.20261	0.9
423.21832	3.0
431.18521	0.6
435.21664	1.4
437.23917	1.7
439.21140	100.0
440.21460	11.1
441.22742	4.2
442.23270	0.6
445.20010	0.9
449.19733	3.0
450.19724	0.5
453.22876	0.6
455.24750	0.7
463.21198	1.9
465.22861	0.8
467.20667	16.1
468.20782	1.7
481.22314	3.0
485.21686	14.4
486.21860	1.1
491.20120	0.6
499.23224	4.7
500.23544	0.6
509.21487	1.0
527.22760	73.1
528.23090	8.6
545.23749	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
55.01880	1.5
55.05520	0.7
65.03951	1.2
67.05509	3.0
68.99828	0.6
69.03428	9.9
69.26762	4.4
71.13635	0.6
76.66263	0.5
79.05501	12.3
81.03434	0.7
81.07063	77.1
82.07400	0.7
83.04986	1.1
85.81681	0.6
88.88278	0.5
91.05479	7.7
91.05993	0.6
93.07069	3.4
95.04977	5.2
95.08613	1.9
96.49805	0.5
97.02876	1.2
97.06552	0.9
103.05455	0.9
105.07042	5.8
107.04965	1.0
107.08613	3.0
109.02836	0.7
109.06528	27.0
110.06824	0.7
111.04451	1.4
115.05447	2.4
116.06235	1.2
117.07039	4.3
119.04908	1.3
119.08553	3.2
121.06506	2.6
123.04458	1.6
123.08073	1.2
128.06223	1.8
129.07033	4.8
131.04971	1.0
131.08562	5.0
133.06502	5.0
133.10129	1.6
135.04401	1.0
135.08104	4.7
137.02362	1.8
137.05984	100.0
138.06319	3.0
141.06955	3.1
142.07800	3.0
143.08560	5.8
145.06508	8.0
145.10120	3.6
146.07253	1.5
147.08069	4.5
149.06027	2.0
149.09569	0.8
151.07573	1.2
153.05539	1.1
153.07024	1.3
154.07773	1.0
155.08565	5.1
157.06435	1.1
157.10132	8.3
158.07289	2.4
159.08061	18.4
159.11758	1.7
160.08780	1.3
161.06000	1.2
161.09677	3.0
163.07520	3.2
165.05588	0.8
165.07013	1.9
166.07764	0.9
167.07188	0.8
167.08569	2.5
168.09363	1.3
169.06439	0.7
169.10103	4.6
170.07324	0.6
171.08096	4.2
171.11707	2.5
172.08829	1.2
173.06056	1.4
173.09625	6.4
175.07549	2.6
175.11142	3.0
177.09053	1.4
178.07738	1.1
179.07033	1.6
179.08582	1.5
180.09303	1.3
181.06418	0.6
181.10132	3.4
183.08067	2.4
183.11716	4.7
184.08879	0.7
185.09636	4.8
185.13266	0.8
186.06816	0.6
187.07535	1.7
187.11183	1.9
188.08305	1.0
189.09099	4.3
189.12802	0.7
191.07034	2.1
192.09201	0.8
193.10176	2.6
194.11003	0.8
195.08035	1.6
195.11765	3.4
197.09639	3.6
197.13307	1.3
198.10370	0.9
199.07497	1.9
199.11192	4.8
199.14818	0.9
201.09079	1.7
201.12788	0.6
203.06984	1.4
203.08855	1.0
203.10634	4.4
205.10161	0.9
206.10922	0.6
207.11656	2.1
209.09595	2.7
209.13235	1.6
210.10448	0.9
211.07513	1.3
211.11188	9.6
212.11833	1.0
213.09116	2.7
213.12650	3.6
215.10719	1.7
215.14418	0.8
216.07904	0.8
217.08591	1.5
218.09264	1.1
219.10019	1.6
219.11868	1.4
221.09566	1.1
221.13266	0.9
222.10281	0.6
223.11101	2.9
225.09084	1.7
225.12752	3.2
226.13448	1.0
227.10638	2.4
227.14221	1.4
229.12259	1.2
231.10127	7.1
231.12120	0.8
233.11644	1.5
235.11139	1.6
236.11981	1.1
237.12727	2.5
239.10724	3.2
239.14265	1.1
241.12297	3.8
243.13788	1.3
245.11784	1.3
247.11215	1.1
249.09256	0.6
249.12663	1.6
251.10551	0.9
251.14209	0.8
253.12257	4.3
253.16164	0.8
254.12997	10.1
255.13593	2.0
261.12692	1.1
264.11343	0.6
265.12137	1.8
267.13800	0.7
269.11847	0.8
271.13229	1.1
273.12643	0.8
275.14465	0.8
277.12210	0.8
281.11746	0.9
281.15518	0.8
282.12393	1.9
283.13275	1.2
291.13620	0.8
301.14377	0.7
307.16861	1.2
309.14886	1.1
313.14343	1.1
325.18011	0.9
331.08130	0.6
331.15451	2.0
345.18149	1.0
355.16583	1.2
363.19684	1.4
373.17624	2.7
377.17300	0.7
387.19870	0.8
391.19043	24.7
392.19299	3.2
401.17224	2.5
403.19073	3.4
405.20334	1.6
409.20157	0.9
415.18896	0.8
419.13132	1.0
419.18497	17.2
420.18701	1.7
421.19946	1.4
427.18826	0.8
431.18225	1.1
433.19885	2.3
437.19611	68.5
438.19995	6.2
445.19986	1.8
449.19452	6.1
451.20947	2.6
463.20880	2.3
467.14020	0.6
467.20547	10.9
481.21851	2.5
491.20438	1.6
491.44098	0.6
509.21628	1.5
527.22211	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.2
55.01859	0.2
55.05510	0.5
57.03436	0.4
57.16669	0.2
61.02923	0.2
67.05495	0.6
69.03438	0.4
69.07070	0.5
71.04997	0.3
73.02911	0.7
79.05491	0.6
81.03430	0.2
81.07066	1.7
83.04982	0.7
83.08623	0.2
85.02915	1.0
87.04505	0.2
91.05495	1.0
93.07040	1.2
95.04950	0.4
95.08607	1.2
97.02907	0.4
97.06538	0.4
97.10175	0.2
99.04456	0.2
105.07010	1.1
107.04937	0.2
107.08597	0.7
109.06525	0.8
109.10188	0.5
111.04440	0.4
111.08098	0.4
115.03965	0.3
117.07029	0.4
119.08590	0.7
121.06525	0.6
121.10165	0.7
123.04463	0.2
123.08070	1.0
123.11703	0.4
125.06039	0.3
127.03840	0.4
128.04283	0.2
129.07022	0.3
131.04926	0.2
131.08578	0.6
133.04965	0.3
133.06558	0.2
133.10114	0.9
135.08084	0.3
135.11702	0.4
137.05995	1.2
137.09627	0.4
139.07561	0.2
141.07007	0.2
142.07797	0.3
143.08569	0.4
145.04932	0.3
145.06497	0.2
145.10118	0.5
146.05302	0.2
147.08093	0.5
147.11638	0.4
149.06046	0.3
149.09669	0.3
149.13280	0.2
153.05478	0.2
153.06938	0.2
155.08580	0.3
157.10114	0.4
159.08044	0.7
159.11662	0.2
161.05959	0.3
161.09593	0.4
163.07495	0.2
165.05534	0.2
165.09108	0.2
166.07826	0.2
167.08640	0.3
167.43927	0.2
169.10078	0.3
171.08066	0.4
171.11687	0.2
173.09624	0.3
173.13380	0.2
179.08542	0.3
181.10066	0.2
183.08073	0.2
183.11700	0.2
185.09517	0.2
187.11179	0.3
189.09109	0.3
191.10709	0.2
193.10188	0.3
195.11758	0.3
196.12260	0.2
197.09642	0.3
199.11250	0.3
201.09096	0.2
204.09355	0.2
206.10942	0.2
211.11130	0.2
211.14758	0.2
219.11813	0.2
221.09581	0.2
221.11589	0.2
222.10623	0.2
225.12767	0.2
233.15329	0.2
261.12741	0.2
267.13660	0.2
275.07343	0.5
317.08224	0.2
335.09464	1.4
395.20407	10.7
396.15726	0.2
396.20718	0.6
409.21802	0.2
427.22897	0.2
437.21072	0.3
445.23618	0.3
461.23166	0.2
473.23154	0.6
491.24301	0.6
509.25290	0.5
527.24615	100.0
528.24915	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21677	0.4
67.05499	0.5
69.03431	1.4
70.85633	0.8
73.02917	0.7
81.07058	0.7
85.02914	1.6
91.05481	0.6
92.81413	0.5
93.07040	0.8
95.08612	0.7
97.02897	0.8
98.66231	0.5
107.04968	0.7
107.08594	0.7
109.10159	0.8
119.08567	1.0
121.06516	0.5
121.10140	0.6
123.04458	0.4
123.11700	0.8
127.03932	0.7
133.10173	1.1
137.05971	1.0
143.08553	0.4
149.06012	0.5
151.07614	0.4
161.05971	1.2
161.09642	1.3
163.06166	0.5
173.07158	0.8
174.07872	0.5
175.07416	0.4
175.14856	0.5
175.41096	0.4
180.18442	0.6
189.09181	0.7
207.10080	0.5
208.10426	0.6
214.18739	0.5
275.07333	0.6
319.12433	0.5
335.09460	3.6
383.86502	0.5
395.20456	2.3
397.74689	0.4
473.29288	0.5
527.24609	100.0
528.19025	0.4
528.24963	10.0
528.32465	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46320	0.2
53.03952	0.3
55.05512	0.6
57.03429	0.3
67.05508	0.6
69.03423	0.6
69.07073	0.3
69.14709	1.6
69.15114	0.3
71.04996	0.2
73.02924	0.3
79.05495	0.9
81.03432	0.2
81.07059	1.2
83.05000	0.4
91.05489	1.2
93.07048	1.0
95.08621	0.8
97.02885	0.3
97.05536	0.2
99.04462	0.2
105.03384	0.2
105.07023	0.7
107.04980	0.2
107.08595	0.8
109.02905	0.2
109.06528	0.5
109.10149	0.4
110.86708	0.2
111.04475	0.4
117.07042	0.3
119.08578	1.0
121.06524	0.4
121.10185	0.3
123.04396	0.2
123.08073	0.6
125.09619	0.3
127.03870	0.3
127.22906	0.2
128.06189	0.3
129.07063	0.4
131.08551	0.7
133.06499	0.3
133.10175	0.7
135.08032	0.5
135.11713	0.3
137.05994	0.8
137.09605	0.3
143.08543	0.3
145.06487	0.2
145.10118	0.6
145.30856	0.2
147.08070	0.3
147.11740	0.5
149.09601	0.3
151.07553	0.2
153.05496	0.3
155.08548	0.2
157.10158	0.5
159.08138	0.4
159.11722	0.3
161.09619	0.4
163.11115	0.3
167.07109	0.2
167.08623	0.2
169.10185	0.5
171.11702	0.3
173.09633	0.3
177.03987	0.2
177.09229	0.3
181.10297	0.3
185.09654	0.3
188.38242	0.2
189.09094	0.3
191.10603	0.2
193.10178	0.4
197.09639	0.3
199.11281	0.4
207.11823	0.2
208.84344	0.2
209.13362	0.3
223.11328	0.3
225.12749	0.2
235.14531	0.2
237.12775	0.3
239.10841	0.3
243.13933	0.2
249.12840	0.3
263.10803	0.2
273.18521	0.3
275.07443	0.4
288.61014	0.2
317.08496	0.4
335.09488	1.0
365.23276	0.4
395.20380	10.0
396.20563	0.4
437.20810	0.3
451.93591	0.2
455.22107	0.5
463.24405	0.2
463.31149	0.2
467.24014	0.2
473.23578	0.3
483.26440	0.3
491.24167	0.6
509.24652	0.6
527.24628	100.0
528.24994	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.264
Annotation	Applanoxidic acid C
Peak:m/z	Relative Intensity
53.03933	12.8
53.40180	9.5
55.01871	22.0
55.05503	41.9
57.03428	24.9
64.95011	9.3
65.03953	11.8
67.05501	100.0
69.03423	23.5
69.07063	22.0
69.50683	52.1
71.04971	11.4
71.08645	11.4
73.02938	10.9
73.75944	8.0
79.05491	74.0
81.03415	34.2
81.07056	64.6
83.04979	71.5
91.05467	86.5
93.07057	75.9
94.41118	9.3
94.65684	8.7
95.04971	39.2
95.08608	82.9
97.06519	19.0
98.23322	14.9
99.08038	12.0
105.07027	72.5
107.04933	18.5
107.08593	50.3
107.09271	8.9
109.02845	10.8
109.06516	23.8
109.10155	37.7
111.04454	33.7
111.08099	10.7
115.05461	13.0
117.07040	16.6
119.08572	85.6
121.06509	30.4
121.10126	21.2
123.08057	34.1
128.06174	12.2
129.05518	13.6
129.07037	25.8
131.08553	35.3
133.06500	21.1
133.10110	38.9
135.08046	30.4
135.11697	14.0
137.05937	27.4
139.07553	16.0
141.09276	9.9
142.07787	23.5
143.08559	34.0
145.06537	11.2
145.10123	59.1
147.08078	25.6
147.11693	32.8
149.09596	23.4
151.07576	15.5
153.07130	9.6
155.07231	10.7
155.08554	33.4
157.06537	15.7
157.08957	10.4
157.10121	50.8
158.19168	9.6
159.08051	39.7
159.11679	22.5
161.09602	41.5
163.07536	23.6
163.11162	16.3
167.08588	19.9
169.10132	40.5
171.08009	23.5
171.11671	28.4
173.09644	25.2
173.13214	11.1
175.07610	15.9
175.11211	25.9
179.08493	14.4
181.08594	10.2
181.10056	13.9
183.08118	12.0
183.11720	16.5
185.09605	18.0
187.11156	21.6
189.09140	15.2
192.09355	13.2
193.10114	29.2
193.25713	10.9
195.08006	15.6
195.11708	26.0
196.08678	10.9
197.09616	15.6
197.13287	13.6
199.11140	19.0
201.09128	23.4
203.10638	15.2
205.10071	14.1
206.10909	15.3
207.11649	30.3
209.09627	25.3
209.13362	18.4
211.11154	23.5
213.09094	13.0
213.12830	14.9
219.11646	12.2
219.76378	10.3
221.13264	18.6
223.11369	14.3
225.12750	20.9
231.11710	12.7
237.12772	23.2
239.10803	14.5
239.14334	24.5
243.11717	13.6
243.13876	12.4
245.15427	16.2
289.15848	14.9
323.56946	11.8
352.25275	13.0
371.19684	9.5
386.26184	15.2
429.23917	13.0
445.23666	29.1
446.24414	10.0
449.23254	12.8
455.22073	34.5
473.23184	61.1
475.24930	18.6
483.26920	12.8
491.24240	71.4
492.24890	10.3
509.25339	68.7
513.58752	10.2
527.26953	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	10.2
55.05507	24.2
55.32378	11.1
57.60467	9.2
58.93706	8.1
67.05506	71.2
69.03423	12.4
69.07063	13.6
71.29102	16.5
72.90316	9.0
79.05492	32.6
81.03432	51.8
81.07057	42.9
83.04980	39.6
89.42850	9.9
91.05493	64.8
93.07040	82.2
95.04974	19.5
95.08599	75.2
95.88921	9.6
105.07026	61.3
107.08599	30.3
109.06525	30.2
109.10144	21.2
111.04451	28.9
111.08079	26.3
117.07042	17.1
118.82050	9.8
119.08581	76.2
121.06491	27.1
121.10148	20.1
123.04523	9.2
123.08124	23.2
129.07011	28.8
131.08568	35.8
133.10153	39.9
135.08061	17.2
135.11652	14.0
137.06079	16.0
142.07748	15.7
143.08560	44.0
145.06427	18.6
145.10135	43.5
147.08090	29.0
147.11717	29.0
149.05977	11.7
155.08536	33.1
156.09303	19.5
157.10144	38.4
159.08081	22.0
159.11732	26.8
161.09586	21.6
163.07561	21.5
169.10127	31.8
171.08064	13.6
171.11732	26.8
173.09619	39.6
175.07530	17.6
175.11299	16.1
179.08496	15.1
181.10086	20.3
183.08034	15.3
183.11713	24.5
185.09622	28.0
185.13187	11.7
187.11263	21.1
189.09189	13.6
191.07014	12.2
192.09407	10.2
193.10188	21.1
194.10851	12.0
195.11678	34.8
197.09644	19.7
197.13159	12.1
199.11279	11.1
201.09068	19.0
207.11761	24.0
208.12450	11.5
209.13272	16.8
211.11171	25.3
213.12756	17.0
221.13324	21.7
223.11172	23.0
225.12846	25.9
227.14348	16.8
235.11172	17.5
237.12654	18.1
239.14322	21.4
243.13971	10.8
245.13280	12.0
245.15428	21.1
246.13979	9.9
249.12805	16.4
251.14278	11.2
253.12099	10.7
270.13901	13.1
277.15891	16.1
285.16559	12.8
286.13293	12.3
287.14392	17.2
335.46750	11.2
395.18475	12.8
417.24707	16.4
427.22650	30.3
429.23932	14.1
445.23700	41.8
447.25232	21.9
455.22195	14.9
463.24646	37.8
467.76727	10.2
473.23499	59.6
474.24005	14.7
475.24771	28.8
481.25787	16.2
491.23972	34.8
492.24622	21.5
493.26038	12.0
509.25378	45.6
527.26031	100.0
527.32446	10.4
530.60248	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2643
Annotation	Applanoxidic acid C
Peak:m/z	Relative Intensity
53.03938	4.5
55.01864	7.3
55.05503	7.7
57.03429	6.0
59.05002	2.7
61.02938	3.7
65.03944	2.0
67.05507	12.1
69.03438	13.0
69.05359	17.3
69.07069	4.4
71.04988	4.9
73.02917	12.6
74.03240	2.0
79.05493	17.4
81.03409	3.9
81.07055	46.3
83.04977	8.4
85.02903	16.5
91.05488	23.3
93.07034	13.1
95.04972	9.9
95.08607	11.5
97.02878	15.4
97.06530	5.6
99.04441	3.5
101.14028	1.5
103.05468	3.7
105.04553	2.2
105.07040	22.3
107.04939	5.4
107.08584	10.5
109.02865	13.7
109.06515	17.6
109.10142	4.7
111.04430	8.9
111.08067	3.1
113.02374	3.6
115.03922	6.7
115.05466	6.4
117.07020	11.0
119.08575	22.4
121.06491	10.9
121.10125	8.1
123.04419	6.2
123.08088	6.4
123.11697	2.5
125.06014	3.7
127.03890	5.1
128.06219	6.2
129.07027	14.1
130.07863	2.2
131.04927	2.6
131.08582	15.9
133.04968	4.7
133.06494	9.9
133.10109	9.8
134.05383	1.9
135.08061	12.5
135.11688	4.8
137.05975	45.8
141.06958	9.3
142.07767	7.5
143.08588	15.1
145.04906	3.6
145.06517	10.4
145.10132	11.2
146.07172	2.1
147.04378	2.1
147.08026	13.6
147.11691	3.9
149.06087	2.7
149.09596	6.2
151.07579	7.0
151.11096	2.0
152.06369	1.9
153.05624	2.4
153.06973	6.0
154.07759	3.1
155.08525	14.4
156.09311	3.5
157.06488	3.8
157.10126	14.7
158.07245	2.5
159.08031	13.6
159.11690	9.0
161.05939	4.5
161.09648	9.6
163.06137	2.1
163.07558	6.6
165.05685	2.1
165.06949	8.3
165.09062	2.5
166.07690	2.5
167.08549	6.7
168.09360	2.6
169.06500	3.8
169.10078	10.4
171.08063	7.8
171.11694	8.7
173.09598	9.7
173.13268	3.3
174.10216	2.0
175.07509	11.0
175.11121	11.5
177.09146	3.6
178.07813	2.2
179.08551	7.4
180.09187	2.0
181.06548	2.7
181.10146	8.8
182.07214	2.4
183.08064	7.0
183.11703	5.8
184.08817	3.1
185.09653	12.8
187.07553	3.2
187.11136	9.8
188.81937	1.9
189.09163	4.9
189.12822	2.4
191.08669	3.2
191.10622	4.0
192.09355	4.0
193.08595	2.5
193.10143	10.0
193.12370	1.5
194.10927	3.8
195.08110	9.3
195.11633	8.7
196.08696	2.4
196.12428	2.1
197.09607	13.0
197.13298	4.9
198.10323	2.2
199.07529	3.3
199.11153	9.4
199.14810	2.5
200.11790	1.9
201.09090	6.6
201.12872	2.6
203.08650	3.5
203.10655	3.7
205.10118	2.5
206.10864	5.1
207.07903	2.4
207.11697	7.1
209.09636	8.2
209.13252	7.6
210.14075	2.2
211.07663	3.1
211.11186	11.7
211.14735	3.9
213.09132	4.8
213.12781	4.9
215.10654	3.6
216.07414	3.3
216.09383	1.7
217.08505	4.2
217.10349	3.9
217.12239	4.1
218.10918	3.2
219.08134	2.2
219.11760	4.0
220.08913	2.5
221.09625	4.9
221.13289	4.6
222.10277	3.0
223.11238	8.9
223.14803	4.4
225.09132	4.1
225.12749	6.3
227.10631	3.9
227.14325	4.0
229.12202	2.4
230.10855	2.0
231.11775	3.7
232.12422	4.2
233.09607	3.4
233.13219	3.9
234.10362	2.6
235.11206	5.2
235.14789	4.2
236.11841	2.1
237.12836	10.9
238.13313	3.3
239.10661	3.2
239.14258	5.0
241.12183	3.3
243.11809	2.0
245.09634	2.8
245.13380	4.2
246.10301	2.7
247.11090	2.7
247.14899	4.0
249.09152	2.3
249.12733	6.1
249.16364	2.2
251.10683	2.4
251.14368	5.5
253.12276	4.2
253.15703	2.1
255.13727	7.2
259.11243	3.2
260.11743	2.2
261.12671	5.5
262.13443	2.5
263.14352	4.1
265.12302	4.6
265.15857	3.5
267.13974	3.9
269.15399	2.6
271.11050	2.5
273.12448	2.7
275.14337	7.5
276.14890	2.0
277.12216	3.0
277.15872	5.2
279.13779	3.6
281.15320	2.5
287.14264	3.2
289.12225	2.1
289.15802	2.3
291.13953	4.1
293.15356	6.0
301.12543	2.0
301.15961	2.6
303.13809	2.8
303.17279	2.6
305.15210	3.9
307.17081	1.9
309.18445	3.8
315.17273	2.8
317.18973	3.0
319.16815	2.8
319.20444	4.1
321.14780	2.9
321.18405	2.2
323.16455	2.9
333.18506	5.0
334.18378	2.2
335.16428	2.4
335.19962	4.0
345.18533	3.7
347.20148	3.8
353.21317	2.8
357.18359	2.7
361.17871	4.3
363.19528	11.0
372.22675	1.7
375.19559	6.3
379.18738	3.8
381.20856	9.8
393.20551	6.7
395.20334	9.9
397.20093	21.7
399.22504	2.8
403.19403	1.8
409.21707	2.1
411.21713	5.0
413.21286	1.9
427.22797	7.9
429.22971	3.8
431.22015	2.4
437.20752	2.8
443.22134	2.2
445.23718	8.4
446.23868	3.0
455.22064	12.3
456.22217	2.1
461.22501	1.9
463.25125	9.0
473.23288	22.2
474.23383	7.2
491.24319	22.7
492.24496	6.6
509.25385	11.3
510.25574	3.8
527.24603	100.0
528.24829	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2639
Annotation	Absintholide
Peak:m/z	Relative Intensity
53.03938	17.1
55.01868	9.6
55.05495	26.5
56.52648	7.9
57.03441	13.2
67.05515	46.1
69.03442	11.1
69.04955	78.9
69.07049	9.8
71.60683	8.6
74.09435	9.1
79.05491	32.7
81.03407	45.4
81.07052	28.3
83.04971	36.6
83.08582	19.6
91.05486	64.8
93.07043	72.1
95.04967	35.1
95.08594	53.4
97.06550	14.0
98.23318	15.7
105.07019	55.8
107.04930	12.7
107.08599	36.3
109.06499	19.4
109.10149	11.7
111.04424	25.6
111.08088	25.4
117.07025	26.4
119.08591	85.0
121.06499	17.3
121.10203	10.8
123.08077	15.4
128.06206	14.2
129.07001	18.9
131.08580	39.7
133.10120	60.8
135.08069	26.3
135.11729	10.6
139.07532	18.4
141.07013	13.1
142.07753	10.4
143.08556	30.8
145.06483	8.7
145.10144	39.9
147.08035	18.1
147.11734	25.6
148.45172	8.3
155.08513	25.6
157.06526	13.9
157.10121	35.9
159.08060	27.1
159.11708	13.9
161.09660	14.0
163.11259	12.5
165.07013	11.8
167.08574	15.3
169.10088	20.4
171.07954	11.5
171.11723	16.3
173.09589	26.1
175.11209	11.1
179.08493	10.4
181.10103	16.0
183.08005	12.3
183.11652	15.7
185.09618	25.3
185.13196	13.3
187.11197	14.8
191.07045	15.1
192.09393	11.7
193.10211	17.4
193.12224	25.2
195.11678	14.7
197.09543	9.4
197.13116	10.7
199.11078	14.7
201.09047	24.7
203.10538	13.0
207.11728	15.8
208.08759	8.9
209.09711	17.6
209.13391	14.9
211.07611	10.0
211.11369	15.3
211.13275	59.7
213.12735	11.0
221.13078	10.8
223.11115	21.9
225.12749	10.7
227.10738	11.2
229.08546	9.7
233.09546	11.3
233.13333	10.7
239.14252	19.0
245.15477	14.8
247.09476	10.4
247.14844	13.0
257.15454	17.7
259.10986	11.0
259.14819	12.0
277.12531	10.0
277.15353	10.4
283.15363	64.5
285.16879	33.1
285.67136	9.8
287.14215	15.7
289.15988	14.7
331.16974	10.8
399.23068	11.0
401.24429	9.5
409.21606	12.1
417.24194	18.6
427.22568	28.5
429.24551	11.1
445.23709	100.0
446.24240	12.4
447.25729	10.3
455.22223	18.0
463.24692	40.5
473.23196	63.3
474.23410	12.1
491.24319	54.0
493.27652	29.1
499.26801	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.264
Annotation	Applanoxidic acid C
Peak:m/z	Relative Intensity
53.03947	18.1
55.01874	17.8
55.05505	14.3
67.05495	33.3
69.03421	24.2
69.07090	7.7
69.21931	51.0
75.88838	6.9
78.25828	6.8
79.05493	48.1
81.03414	16.6
81.07060	38.9
83.04972	24.2
90.64016	7.2
91.05482	90.3
93.07030	51.8
95.04948	29.7
95.08617	44.6
95.12786	6.0
97.02915	7.1
97.06537	11.2
98.22598	13.6
103.05491	13.7
105.07026	65.7
107.04961	33.7
107.08603	52.8
109.06526	28.4
109.10155	11.7
111.04453	23.0
111.08084	15.0
115.05438	11.8
117.07024	30.6
117.79671	6.2
119.08582	64.8
121.06495	44.3
121.10104	17.1
123.04429	11.0
123.08073	27.7
128.06198	12.8
129.07033	29.5
130.07755	10.3
131.04942	10.5
131.08578	46.9
132.05708	6.6
133.06508	18.7
133.10091	36.3
135.04405	34.1
135.08044	60.4
137.06003	20.8
141.07004	11.7
142.07732	19.3
143.08566	43.7
145.06487	27.8
145.10101	45.7
147.08058	47.1
147.11690	19.5
149.05954	10.1
149.09650	26.1
155.08566	32.6
156.09354	11.7
157.06514	8.6
157.10127	44.6
158.07283	9.8
159.08073	43.0
159.11690	13.5
161.09599	34.0
163.07578	21.0
165.06982	15.9
165.09134	10.9
166.07719	10.3
167.08568	15.7
168.09244	10.1
169.10132	29.7
170.10895	8.8
171.08064	33.7
171.11693	28.0
173.09615	53.5
175.07590	31.6
175.11172	23.6
177.09102	20.3
179.08568	30.3
180.09335	11.5
181.10167	15.8
182.10876	7.8
183.08136	10.1
183.11708	18.4
185.09586	21.8
187.07562	19.4
187.11208	22.8
189.09074	15.7
191.08563	9.0
191.10587	9.4
192.09297	13.6
193.08551	8.8
193.10213	24.7
193.12126	10.7
194.10938	10.0
195.08058	16.4
195.11691	24.8
196.12512	9.8
197.09641	23.9
197.13123	13.3
199.11281	11.2
199.14848	12.5
201.09122	23.3
203.08623	7.3
203.10614	13.7
205.10165	10.7
207.11736	16.9
208.12482	10.5
209.09665	16.7
209.13249	38.5
210.10367	8.8
211.11220	26.0
211.14838	18.0
212.11835	8.9
213.09093	8.3
213.12801	12.2
215.10603	9.4
217.10190	14.8
219.10167	18.3
219.11906	10.2
221.09610	11.9
221.13283	10.4
222.10342	8.9
223.11107	35.6
223.14900	12.9
225.09193	7.3
225.12726	23.2
227.10733	11.1
227.14401	16.4
231.11723	9.7
235.11185	23.3
235.14857	10.2
237.12868	12.9
239.10632	15.6
239.14375	13.9
241.12202	9.7
245.13249	8.3
247.11371	7.3
247.14828	13.1
249.12697	10.4
251.14299	14.1
253.12234	15.6
253.15826	9.0
255.13805	17.5
259.14810	11.5
263.14252	17.8
269.15399	7.0
273.12619	9.8
277.12537	7.5
277.15891	11.2
279.14001	12.2
281.15332	12.0
291.13791	11.3
293.15640	7.4
305.15500	17.5
309.14789	8.2
323.16367	10.9
325.18060	8.8
341.17621	11.4
358.34818	7.5
359.18469	16.2
367.17209	7.1
409.21487	11.4
411.22852	14.1
419.19382	6.9
427.22632	25.9
429.24164	29.0
445.23636	42.7
447.25641	46.3
455.22018	32.9
463.24655	39.2
465.26437	22.7
473.23276	74.8
474.24341	8.1
491.24301	71.9
492.24722	11.7
509.25253	100.0
510.25632	9.9
527.26019	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
55.05513	1.4
67.05502	4.1
69.03416	1.5
70.41940	3.4
77.18935	1.1
79.05510	2.5
81.03430	1.5
81.07066	6.6
83.04990	1.9
83.08614	1.2
83.93729	1.1
85.02901	1.5
85.91876	1.0
91.05482	7.4
93.07056	6.4
95.04968	2.9
95.08603	7.6
97.06558	1.7
105.07008	7.0
107.08596	3.3
109.06554	3.1
109.10165	2.1
111.04411	1.5
111.08083	3.8
115.05437	1.3
117.07027	2.0
119.08600	4.5
121.06482	3.4
121.10157	2.2
123.04443	1.2
123.08119	2.2
129.07025	1.6
131.08597	3.8
133.06496	2.4
133.10088	2.8
135.08092	2.3
137.06006	4.8
137.09637	1.3
137.13261	3.1
138.13660	1.6
139.07529	1.5
142.07819	1.5
143.08560	4.3
145.10173	2.4
147.08057	2.9
149.05980	1.7
155.08658	1.9
157.10204	3.4
159.08099	3.9
159.11736	2.1
161.09656	4.9
161.13135	1.4
163.07600	2.6
165.09126	1.3
167.07088	1.4
167.08542	2.6
169.10213	2.1
171.08102	2.5
173.09651	3.1
175.07564	1.9
177.09160	1.6
181.10114	3.1
183.11775	1.3
185.09619	2.7
187.07587	1.6
187.11285	1.7
189.09137	1.9
193.10191	2.0
199.07558	1.7
203.10744	4.1
207.11678	2.3
209.09845	1.6
209.13292	1.6
211.07381	1.3
211.11279	1.7
213.12692	1.5
215.16454	3.4
216.16843	3.7
223.11259	1.4
225.12724	2.1
227.10663	1.4
229.08145	1.4
233.15356	1.3
253.12314	2.0
265.12137	1.4
273.12845	1.5
275.14282	1.9
331.22745	1.7
335.09540	5.8
349.23807	1.9
395.20447	2.9
427.22720	2.4
437.21292	1.3
445.23877	3.5
455.22302	4.1
463.24841	3.4
473.23129	7.8
491.24200	7.0
509.25836	1.4
527.24640	100.0
528.24866	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.9
55.01879	2.8
55.05511	37.7
57.03468	3.1
57.07082	8.4
60.05640	6.0
60.22439	1.2
61.42834	1.2
65.03930	4.1
67.05504	35.2
69.03426	4.4
69.07063	25.1
69.07928	11.7
71.04981	6.9
71.08649	2.6
73.02931	2.0
77.03881	1.4
79.05496	22.2
81.03413	3.2
81.06576	2.9
81.07054	48.7
82.55045	1.3
83.04981	15.3
83.08618	16.9
85.06557	3.0
85.10199	1.8
85.91398	1.4
89.06031	2.5
91.05478	32.3
91.09721	1.4
93.07042	53.4
94.07790	1.4
95.04967	10.8
95.08604	100.0
96.08882	1.8
97.02862	1.9
97.06534	6.2
97.10178	17.4
99.04441	7.9
103.05492	2.0
105.07030	53.7
106.07360	1.3
107.04946	3.6
107.08591	57.2
109.06508	7.0
109.10149	35.2
109.10889	1.5
111.04422	9.5
111.08064	11.4
113.06014	4.4
113.09632	3.8
115.05475	3.2
117.05500	5.8
117.07018	12.3
119.08574	60.5
121.06509	11.0
121.10140	40.2
123.08054	17.2
123.11693	13.1
125.06039	1.5
125.09621	2.9
128.06194	6.3
129.06999	11.6
130.07796	4.6
131.08560	42.1
132.09090	1.7
133.06485	4.3
133.10127	45.5
135.08046	8.5
135.11697	20.7
137.06044	3.8
137.09601	3.6
137.13258	6.1
139.07526	10.8
139.11201	2.4
141.07018	4.7
141.09105	8.3
142.07793	10.7
143.08557	31.4
144.09323	5.2
145.06480	4.0
145.10117	64.2
146.07227	3.1
146.10799	2.6
147.08089	9.6
147.11678	31.9
147.12753	2.5
149.09610	5.4
149.13231	7.5
151.07536	2.9
151.11200	2.2
151.14807	1.4
153.06926	1.7
153.09174	2.0
154.07768	1.7
155.08551	18.2
155.10541	1.7
156.09315	9.1
157.10120	52.2
158.07213	1.7
158.10838	5.9
159.06650	2.7
159.08037	9.1
159.11691	56.1
160.12224	2.7
161.09613	19.0
161.13258	18.2
163.11177	6.0
163.14874	3.7
165.07141	1.7
165.09116	4.1
167.07266	2.0
167.08632	5.3
168.09364	5.1
169.10130	25.9
170.10883	6.1
171.08069	5.3
171.11691	43.5
172.08780	3.0
172.12352	3.9
173.09628	13.6
173.13251	31.6
175.11182	9.7
175.14824	13.2
177.09138	5.8
177.12726	1.7
177.16420	1.9
179.08571	3.4
179.10674	7.3
180.09258	1.6
181.10089	9.0
182.10941	7.6
183.11673	28.0
184.12454	4.9
185.09686	8.0
185.13245	31.2
186.10356	3.1
186.13960	2.9
187.11195	12.3
187.14816	24.1
189.12686	9.4
189.16412	7.2
191.10599	6.3
191.14375	1.7
193.10188	4.0
193.12300	4.0
194.10887	2.6
195.11707	10.1
196.08936	1.5
196.12471	4.6
197.09598	6.6
197.13252	32.1
198.10361	1.4
198.13902	3.2
199.11221	6.6
199.14807	18.9
200.15450	2.7
201.12732	9.5
201.16400	13.9
203.10713	2.4
203.14336	7.4
203.17938	2.0
205.12260	5.3
206.10933	1.8
207.11707	6.4
207.13681	2.6
209.09662	2.6
209.13240	13.4
210.10434	2.1
210.13959	3.0
211.11229	6.2
211.14784	18.0
212.11903	1.7
212.15540	3.3
213.12735	9.5
213.16331	13.0
214.16721	1.4
215.10765	2.4
215.14323	10.8
215.17950	4.5
217.12306	2.3
217.15926	3.4
219.11844	1.6
219.13799	5.9
220.12486	2.0
221.13283	5.2
221.15295	3.2
222.10437	1.6
222.14003	1.6
223.11246	2.5
223.14769	7.3
225.12822	9.5
225.16342	12.6
227.14308	6.2
227.17894	9.9
228.18742	1.6
229.12277	5.0
229.15871	7.8
229.19479	3.5
231.13751	7.3
233.13301	2.6
233.15437	8.9
235.14836	3.1
235.16978	2.8
236.07729	1.9
237.12793	2.2
237.16446	5.4
238.17026	2.4
239.14297	4.6
239.17967	7.7
240.18600	1.6
241.11942	1.5
241.15919	3.1
241.19455	6.7
243.13776	5.6
243.17517	3.6
243.21260	2.2
245.15373	6.0
247.14714	2.9
247.16826	6.3
249.16351	4.0
251.14294	4.2
251.17963	4.3
253.15820	2.9
253.19496	5.7
255.13728	1.7
255.17473	4.1
255.21017	7.5
257.15372	4.3
259.16934	2.8
261.18634	3.2
263.10205	1.6
263.17963	2.7
265.15961	2.7
265.19604	3.4
266.16629	1.8
267.17606	3.2
267.21103	2.6
269.18991	3.4
269.22766	1.9
271.16977	3.6
271.20572	1.7
273.18600	3.3
277.19620	2.4
278.09109	2.1
279.09540	2.5
279.21161	2.9
281.19315	2.3
281.22571	12.4
283.17133	3.0
283.24069	2.0
285.18518	2.7
291.17548	1.3
291.20984	5.3
293.11545	1.8
293.19043	2.4
293.22266	1.7
295.20782	1.5
297.18481	2.0
299.20090	3.0
299.23416	1.9
303.15863	2.1
303.21252	1.5
307.20190	3.0
307.23849	1.8
309.22122	8.4
311.20087	2.6
311.23666	2.3
313.21622	1.8
320.10315	1.6
321.10471	1.9
322.11322	2.3
323.20041	2.6
325.21594	5.0
327.23260	12.1
335.23495	3.7
337.21970	2.8
339.23010	2.3
341.24649	2.8
345.20810	2.1
351.12292	4.3
351.23029	2.1
352.12482	8.8
353.12952	11.0
365.10471	2.2
365.20810	2.3
365.24850	2.8
367.26410	2.2
379.26459	2.8
382.13681	5.0
383.13934	10.8
383.22073	2.4
385.23929	1.7
387.25311	17.9
395.29614	11.3
403.30106	7.5
407.29663	2.8
413.27902	2.7
421.31021	46.7
422.31372	4.2
423.32532	4.0
431.29492	13.9
439.31937	5.3
443.24219	3.2
449.30511	36.9
450.30850	3.1
457.26520	1.9
467.31625	21.8
468.31784	2.0
481.33395	1.7
491.31378	3.7
509.32886	8.5
527.15833	3.7
527.33496	28.4
528.33868	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46138	1.1
53.03956	1.5
55.05510	6.2
57.03422	3.3
57.07074	2.1
59.54306	1.0
60.46922	0.9
67.05496	4.5
69.07069	11.1
71.08630	1.5
79.05477	4.3
81.03405	2.2
81.07053	8.4
83.01377	1.2
83.04980	2.1
83.08615	5.7
89.06020	3.1
91.05473	5.1
93.07044	3.6
95.04977	2.2
95.08608	8.5
97.06541	1.5
97.10166	3.2
103.05445	1.1
105.07043	5.2
107.08580	3.5
109.06496	1.8
109.10177	2.4
111.11715	1.5
117.07024	1.8
119.08572	5.1
121.06526	1.8
121.10118	1.4
123.11678	1.8
129.06990	2.2
131.08562	2.2
133.06487	2.3
133.08582	1.5
133.10121	3.8
135.08064	2.4
135.11656	1.1
137.05959	5.9
142.07744	2.0
143.08557	3.9
145.06438	1.2
145.10097	2.3
147.08046	4.2
147.11674	1.7
149.06001	1.3
151.07539	7.5
155.08586	1.0
156.09366	3.7
157.10132	3.4
158.07150	1.1
159.08025	4.5
159.11697	2.2
160.08853	2.9
161.09592	4.0
161.13240	0.9
163.07486	6.9
163.11084	2.0
165.09044	2.3
167.07016	8.1
168.09425	1.1
169.10086	1.1
171.07990	2.4
171.11685	5.1
173.09659	2.1
173.13153	1.1
175.07552	8.7
175.11215	4.7
177.09174	1.2
184.08830	2.0
187.07503	2.5
188.08311	8.2
189.09134	7.7
189.12743	6.3
191.10681	4.4
199.11227	6.9
201.09081	2.3
202.09889	10.1
203.07018	3.2
203.10675	17.6
205.12238	1.4
215.10773	2.9
216.07736	1.2
216.11473	3.8
217.12224	64.1
218.12613	1.4
227.10706	6.5
229.12268	3.1
233.11670	1.7
243.13654	1.4
245.11717	100.0
246.12109	5.0
247.13219	8.2
263.12814	4.7
429.33511	4.4
447.25620	1.1
481.40503	2.7
509.39914	17.6
510.40283	2.4
527.40820	3.7
528.50092	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	5.6
67.05493	8.5
69.03436	6.0
69.73334	4.7
76.19381	4.8
83.04967	22.3
85.02908	11.2
91.05511	6.2
93.03410	8.5
95.04977	27.0
107.67457	5.0
110.07227	5.1
111.04436	22.1
121.02846	7.0
123.04414	11.4
129.05457	7.0
135.04465	9.7
137.02370	5.5
139.03880	12.1
141.06969	8.7
146.06007	12.1
147.04424	7.1
147.06508	9.2
153.07014	13.2
157.04889	6.0
157.06491	6.0
158.06006	11.1
160.07526	8.7
163.03897	67.2
165.06966	9.9
167.07018	20.4
169.06462	11.4
177.05478	6.5
177.98784	5.3
181.06482	22.8
182.06216	5.4
185.05963	19.9
187.03851	6.2
187.07483	8.7
189.05464	12.7
193.06944	10.1
197.05956	40.4
199.07539	16.5
199.09464	7.5
203.06917	8.2
209.05972	14.3
211.07544	11.4
213.05467	100.0
215.07008	7.2
227.07074	43.7
229.08553	10.5
231.06546	17.7
237.05402	14.5
237.26822	5.3
239.07068	7.9
241.04915	25.7
245.08212	6.3
246.09152	7.2
255.06502	33.1
257.07956	6.8
259.06091	25.9
260.06961	5.6
273.07574	27.6
274.08548	12.8
278.08017	7.5
283.06006	39.9
291.08786	13.1
292.09656	23.9
301.07031	83.8
302.07996	14.2
319.08096	20.2
320.09094	42.7
337.11993	8.7
338.10056	7.0
365.10745	5.4
366.11069	7.1
380.76184	5.4
493.13312	83.6
515.57196	5.5
528.15967	16.6
529.17761	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.5
58.42463	2.3
62.32420	2.5
67.05516	3.3
69.03422	7.8
69.07069	14.3
69.14660	2.2
70.06593	4.3
70.68272	4.4
71.04994	10.9
74.11026	2.2
79.05493	3.9
81.07075	3.2
85.02898	19.5
91.05487	7.8
91.80706	2.1
93.07047	6.7
94.04187	3.0
97.02878	6.2
102.04665	3.4
103.05463	39.4
105.07030	8.2
107.04950	58.4
109.02876	3.7
109.10148	12.0
115.05445	4.5
117.06990	3.1
119.04911	4.5
121.06500	19.0
122.03648	2.8
123.04458	2.4
123.11715	5.4
127.03925	3.9
129.05469	2.8
131.04929	54.6
133.06480	19.4
135.04439	3.2
135.08078	5.8
137.02339	5.1
137.05969	74.9
140.85410	2.2
145.04953	3.3
146.06021	3.7
147.04417	4.3
147.91414	2.4
149.05983	17.1
151.03914	9.2
151.07568	4.1
151.11226	3.4
161.05992	8.6
161.09686	3.1
162.06776	3.8
163.07538	100.0
163.08922	4.8
164.08356	11.0
165.05452	3.1
169.12273	18.0
175.07509	4.3
177.09131	4.1
181.04962	8.5
181.08551	5.2
189.09103	3.0
197.09644	3.1
207.06564	8.8
207.10175	5.0
225.09068	6.2
245.08160	2.5
255.10298	4.2
257.11786	11.2
270.82294	2.6
283.13379	7.2
297.07635	11.1
301.14288	16.3
313.10779	4.9
313.14194	2.9
317.10196	3.6
329.10162	4.2
331.11743	7.3
347.11374	3.0
349.12753	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	9.0
61.02935	2.5
63.02504	2.2
69.03429	6.9
69.60530	10.9
73.02934	14.7
74.76287	2.4
79.05485	3.7
81.03451	2.2
85.02911	6.2
91.05477	12.4
93.07018	2.9
95.04971	2.5
103.05473	25.1
105.07041	5.7
107.04948	20.4
115.03904	5.5
119.04957	11.2
121.06503	3.7
122.03632	4.5
129.07024	4.2
131.04942	32.8
133.06438	2.2
135.08054	7.2
137.05981	100.0
137.07042	5.0
147.04434	9.7
149.05962	3.5
151.03860	3.2
151.07527	23.9
157.06534	3.6
161.05981	32.2
161.09616	8.8
162.06721	2.3
163.07545	78.8
163.08916	4.0
164.07990	3.4
165.09151	3.4
175.07530	10.9
177.05466	5.0
177.09116	25.5
179.07018	4.6
181.08624	9.3
189.09113	23.2
191.07060	2.8
195.10188	3.8
203.10632	2.5
207.10158	30.9
219.10194	5.5
221.11653	5.5
227.10754	3.0
255.10289	6.6
285.11130	4.1
287.12677	14.1
299.12863	3.8
311.12756	13.3
313.14301	17.2
331.15350	27.2
343.15225	5.8
534.31012	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16422	0.7
57.07061	0.8
61.02929	1.0
67.05502	7.6
69.03432	2.0
69.07066	44.4
69.67032	2.9
70.07389	0.9
71.04994	4.2
79.05486	1.3
81.03408	1.7
81.07056	5.6
85.02903	11.7
91.05501	0.7
93.07011	0.8
95.04939	1.4
95.08582	1.3
97.02896	2.2
99.04446	0.9
105.07013	1.7
107.04992	0.9
107.08588	7.9
108.07925	0.7
109.02876	1.2
109.10153	100.0
110.10481	2.2
113.06012	3.4
123.11707	14.8
124.33714	0.7
127.03910	2.9
127.11192	21.7
133.10115	2.2
145.04948	4.5
147.06308	0.8
149.05933	0.9
151.11172	9.7
163.06076	1.3
163.07523	1.3
164.08282	1.3
166.81726	0.7
169.12244	28.1
171.59413	0.6
173.07091	0.7
174.07774	1.5
187.13295	31.1
188.13618	0.9
203.68088	0.7
207.06541	0.9
275.37698	0.7
470.47153	0.8
528.16522	0.6
529.26062	2.0
535.27930	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25621	5.8
54.59535	6.3
54.92584	6.5
55.01855	9.0
55.05500	14.5
57.03438	7.0
63.64917	7.5
67.05499	12.8
69.03434	12.9
69.22808	43.9
71.39634	7.3
73.02896	14.8
79.05489	18.9
81.07041	32.8
83.05015	8.9
85.02908	13.4
91.05453	15.9
93.07028	15.8
95.04961	11.0
97.02875	8.9
98.22665	9.7
99.71806	6.3
105.07039	20.5
107.08627	7.7
117.07089	7.9
119.08569	13.4
121.10156	6.4
123.04319	8.0
125.36126	7.4
128.06184	6.7
129.06961	9.5
131.08560	14.4
133.10127	10.2
137.05954	21.5
142.07762	17.8
143.08577	32.5
145.06459	8.2
145.10167	12.4
147.08060	24.0
149.59715	8.0
155.08583	11.4
157.10127	44.1
159.08035	11.2
159.11679	100.0
161.09660	10.8
165.55327	7.3
167.08430	6.3
171.08066	10.5
183.08052	7.2
183.11562	7.1
199.11131	10.0
199.14786	43.7
209.09656	7.7
217.15895	19.8
223.11215	7.2
225.86600	7.4
239.10710	7.4
371.92401	8.9
436.63351	7.5
447.25299	15.9
453.22592	8.6
457.23151	9.3
468.21036	7.8
475.24808	36.4
493.25818	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.9
55.05507	5.3
67.05495	14.3
69.03432	11.6
69.10757	6.9
69.11161	24.6
79.05478	9.1
81.07044	12.2
83.04977	5.4
91.05483	13.1
93.07063	9.1
95.04953	5.1
95.08604	10.5
96.76222	3.7
97.06530	4.6
98.23386	8.1
102.23312	3.8
105.07014	18.6
107.04909	4.2
107.08604	11.8
109.10148	5.6
111.04397	4.2
117.07018	7.3
119.08574	15.6
121.06518	6.0
121.10118	7.7
128.06219	11.0
129.07040	9.8
130.07805	4.2
131.08583	10.1
133.06482	7.5
133.10120	9.4
135.04453	5.5
135.08072	11.9
142.07799	4.3
143.08559	18.0
145.06526	3.8
145.10141	16.6
147.08057	9.2
147.11673	8.7
155.08536	6.6
157.10146	17.5
159.08073	8.3
159.11664	5.3
161.09605	9.6
163.07565	4.0
163.11215	4.4
165.06984	8.2
167.08554	4.0
169.10181	18.2
171.06789	4.3
171.08006	22.6
171.11784	5.6
173.09680	11.0
175.07567	6.7
175.11229	9.5
179.08592	6.6
181.10110	9.8
183.08060	3.7
183.11667	7.6
185.09622	9.2
185.13281	4.7
187.11172	12.6
189.09152	4.3
189.12718	4.0
192.09311	4.2
193.10126	5.4
194.10863	5.4
195.08073	6.2
195.11731	9.6
197.09566	5.5
197.13202	12.0
199.14827	12.6
203.08530	4.3
203.10674	6.3
205.10222	4.3
207.11681	22.6
209.13242	7.3
210.10388	5.8
211.11151	8.4
211.14932	7.1
211.84279	4.4
213.12750	7.9
221.13150	8.4
223.11200	14.5
224.11835	3.6
225.12732	29.1
227.14268	5.3
235.11278	5.2
237.12732	10.0
238.66235	3.9
239.14238	7.3
241.12230	8.0
243.13835	4.7
246.13651	3.6
253.12218	5.9
265.15512	3.8
289.15881	5.2
393.22119	5.5
397.65015	4.5
411.23099	16.6
421.21353	5.0
429.24261	23.3
439.22858	22.8
447.25278	100.0
448.25812	10.2
449.26987	4.3
457.23752	56.3
475.24753	93.9
476.25104	7.1
493.25916	72.1
494.26050	6.4
510.24948	4.0
511.26843	10.7
553.59961	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.9
55.05507	5.3
67.05495	14.3
69.03432	11.6
69.10757	6.9
69.11161	24.6
79.05478	9.1
81.07044	12.2
83.04977	5.4
91.05483	13.1
93.07063	9.1
95.04953	5.1
95.08604	10.5
96.76222	3.7
97.06530	4.6
98.23386	8.1
102.23312	3.8
105.07014	18.6
107.04909	4.2
107.08604	11.8
109.10148	5.6
111.04397	4.2
117.07018	7.3
119.08574	15.6
121.06518	6.0
121.10118	7.7
128.06219	11.0
129.07040	9.8
130.07805	4.2
131.08583	10.1
133.06482	7.5
133.10120	9.4
135.04453	5.5
135.08072	11.9
142.07799	4.3
143.08559	18.0
145.06526	3.8
145.10141	16.6
147.08057	9.2
147.11673	8.7
155.08536	6.6
157.10146	17.5
159.08073	8.3
159.11664	5.3
161.09605	9.6
163.07565	4.0
163.11215	4.4
165.06984	8.2
167.08554	4.0
169.10181	18.2
171.06789	4.3
171.08006	22.6
171.11784	5.6
173.09680	11.0
175.07567	6.7
175.11229	9.5
179.08592	6.6
181.10110	9.8
183.08060	3.7
183.11667	7.6
185.09622	9.2
185.13281	4.7
187.11172	12.6
189.09152	4.3
189.12718	4.0
192.09311	4.2
193.10126	5.4
194.10863	5.4
195.08073	6.2
195.11731	9.6
197.09566	5.5
197.13202	12.0
199.14827	12.6
203.08530	4.3
203.10674	6.3
205.10222	4.3
207.11681	22.6
209.13242	7.3
210.10388	5.8
211.11151	8.4
211.14932	7.1
211.84279	4.4
213.12750	7.9
221.13150	8.4
223.11200	14.5
224.11835	3.6
225.12732	29.1
227.14268	5.3
235.11278	5.2
237.12732	10.0
238.66235	3.9
239.14238	7.3
241.12230	8.0
243.13835	4.7
246.13651	3.6
253.12218	5.9
265.15512	3.8
289.15881	5.2
393.22119	5.5
397.65015	4.5
411.23099	16.6
421.21353	5.0
429.24261	23.3
439.22858	22.8
447.25278	100.0
448.25812	10.2
449.26987	4.3
457.23752	56.3
475.24753	93.9
476.25104	7.1
493.25916	72.1
494.26050	6.4
510.24948	4.0
511.26843	10.7
553.59961	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	36.6
70.46468	71.2
74.83306	28.6
76.73459	25.5
81.07043	40.7
83.04997	34.6
91.05507	45.4
93.07040	29.4
95.08569	26.5
105.07040	40.1
107.08578	34.3
109.06479	35.8
115.81698	31.2
117.06998	28.9
117.12090	27.0
119.04913	36.1
119.08595	64.1
129.06961	30.2
131.08525	35.7
145.10098	43.8
173.09654	36.7
187.11163	31.7
197.07094	29.3
202.19226	30.5
203.10611	33.3
345.18811	36.1
437.90784	32.6
447.24826	45.7
457.23605	38.8
475.24445	100.0
536.09308	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41935	2.4
53.03942	5.1
55.05503	7.5
67.05517	16.3
67.56905	2.3
69.03444	4.4
69.07053	2.5
71.30652	3.0
75.98298	2.2
76.89115	2.2
79.05495	8.5
81.03411	3.1
81.07049	8.6
83.04991	13.6
91.05473	17.8
93.07050	19.8
95.04964	8.3
95.08601	22.5
95.97259	2.3
103.65401	2.2
105.07024	18.1
107.08592	14.7
109.06545	3.9
109.10175	2.4
111.04437	9.4
111.08076	6.4
113.05981	2.9
115.05386	3.4
117.07021	10.3
119.04900	3.0
119.08571	31.3
121.06521	9.2
121.10130	5.0
123.08073	6.4
128.06233	6.5
129.07040	6.5
131.08562	17.6
133.06485	5.2
133.10112	14.0
135.08086	5.0
139.07530	6.9
141.07025	3.9
141.09119	2.5
142.07797	5.7
143.08571	15.7
145.06427	4.3
145.10123	16.5
147.04453	3.1
147.08075	16.4
147.11693	10.6
149.09665	3.6
155.08580	7.6
156.09352	3.2
157.10139	17.5
159.08034	6.3
159.11713	12.4
161.09619	9.5
161.13184	2.6
167.08591	6.6
168.09387	3.2
169.10168	10.8
170.10837	4.1
171.08099	4.8
171.11705	5.8
173.09631	6.4
175.11234	6.6
178.07825	2.4
179.08568	4.3
181.10121	6.8
181.66446	2.4
183.08121	3.0
183.11691	9.0
185.09651	5.5
185.13246	5.6
187.11183	9.9
189.09160	2.9
189.12846	2.6
191.06975	3.8
193.10133	5.0
194.10916	6.7
195.11725	6.6
197.09587	4.8
197.13263	7.4
199.11169	5.5
201.12798	5.6
206.10909	4.3
207.11772	6.3
208.08981	3.4
209.09668	4.1
209.13312	9.5
211.11174	11.2
211.14841	3.8
213.09058	3.5
213.12775	3.7
218.10812	2.8
219.11652	4.7
220.12511	2.2
221.09709	4.1
221.13283	7.1
222.10492	3.0
223.11317	5.9
223.14786	4.2
224.12013	4.0
225.12755	7.2
227.10695	2.6
227.14308	6.8
231.09998	3.2
233.13268	4.0
235.11159	3.1
236.15334	2.7
237.12766	6.0
237.16185	2.4
239.14290	12.1
245.13141	4.4
245.15376	5.4
247.11247	2.7
249.11049	4.0
253.12286	4.0
260.11768	2.4
260.15417	3.1
261.12830	2.4
261.16278	2.9
263.14294	3.7
266.09445	2.2
273.16196	3.8
275.14279	5.0
277.15836	3.8
281.11642	5.9
287.14099	3.0
295.16980	6.6
297.18500	2.9
301.16055	2.9
305.19131	2.5
313.17981	8.6
315.17468	3.9
335.16446	4.3
361.17969	3.5
367.97385	2.3
379.19595	2.5
401.24728	3.1
403.26166	4.5
411.23090	6.5
413.24731	4.9
419.25439	3.1
429.24176	15.2
431.25818	22.4
439.22781	8.5
447.25171	7.2
449.26743	6.3
457.23697	36.9
458.24188	4.0
461.26700	2.8
475.24789	100.0
476.25015	11.4
493.25888	18.8
528.37415	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93877	4.0
54.24979	4.0
55.05505	16.6
57.03436	5.0
67.05498	25.4
67.63235	4.3
69.07074	8.8
69.36701	20.5
69.37117	9.3
76.76324	4.1
79.05485	20.6
81.03407	9.3
81.07059	24.6
83.04967	14.3
83.48362	4.8
85.02896	4.7
91.05492	27.7
93.07067	27.9
95.04950	12.9
95.08611	40.7
97.06527	4.6
98.22620	8.9
105.07060	30.8
107.04914	5.9
107.08633	23.2
109.06513	12.4
109.10154	8.4
111.04426	5.5
111.08083	10.0
115.05473	4.2
117.07024	12.7
119.08572	29.0
120.95500	4.2
121.06505	16.5
121.10140	8.8
123.08085	8.7
127.04025	4.1
128.06194	6.4
129.06978	6.5
131.08595	22.1
132.48380	4.1
133.06566	5.9
133.10114	15.3
135.08038	13.7
135.11705	10.5
137.05998	9.9
141.06995	5.9
142.07764	10.0
143.08554	20.2
145.06448	7.3
145.10139	25.2
147.08035	12.0
147.11658	11.2
149.05983	7.8
149.09685	5.0
153.90569	4.8
155.08549	12.2
157.10133	21.1
158.10918	4.5
159.08011	11.9
159.11665	11.1
160.12123	4.6
161.09589	14.5
161.13310	8.4
163.07549	18.9
166.07733	4.3
167.07050	19.9
167.08507	7.2
169.10129	16.5
171.08008	7.4
171.11671	15.3
173.09636	12.7
173.13249	7.0
175.11183	11.2
178.07767	6.0
179.07031	13.2
179.08553	8.7
181.10100	10.5
182.10974	6.7
183.08228	7.2
183.11697	13.0
185.09616	9.3
185.13214	6.2
187.07477	4.5
187.11188	11.0
189.12724	5.3
193.10144	5.2
194.10979	5.6
195.11678	11.4
197.13239	7.0
199.11238	10.2
199.14873	6.6
201.09064	5.2
201.12862	4.4
205.10214	6.1
206.10884	4.9
207.11673	6.4
209.07986	22.2
209.09799	5.6
209.13275	16.2
213.12753	9.9
221.13245	7.7
222.06747	4.2
223.11223	7.1
223.14905	8.4
225.12726	12.0
227.14436	9.6
235.11232	5.6
235.14709	4.9
239.14293	6.1
247.14886	9.0
249.12808	7.1
253.16093	5.6
261.16296	4.2
263.17935	4.5
265.15820	5.9
291.17441	5.6
297.18201	5.9
307.17062	4.3
309.18570	5.2
315.19577	14.7
317.15228	4.6
327.19647	20.5
335.16232	5.5
345.20584	16.7
358.79388	4.6
367.37363	4.6
429.24188	12.5
431.25754	7.9
447.25073	16.5
457.23743	10.3
465.26065	5.3
475.24817	38.1
483.27298	11.4
493.25800	100.0
494.26715	11.2
511.27011	26.2
528.36517	6.2
529.18365	67.3
529.34656	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19394	0.9
53.03934	1.0
53.20296	0.9
55.01877	5.0
55.05511	11.8
57.03435	10.5
57.07075	14.5
59.04990	3.5
61.02918	3.7
63.13973	1.0
67.05492	3.9
69.03427	10.6
69.04224	2.5
69.04638	5.2
69.07069	58.8
70.03743	1.6
70.07397	1.5
71.01354	2.9
71.05000	5.1
71.08630	8.4
73.02923	13.4
73.06557	11.6
79.05493	2.4
81.03397	3.1
81.07059	4.5
83.04993	1.1
83.08626	3.5
85.02906	28.3
85.10180	5.0
86.03247	2.0
87.04465	1.3
89.06030	31.0
91.03982	0.9
91.05466	2.1
93.07040	3.2
95.04967	2.1
95.08634	1.6
97.02893	15.9
97.06518	1.0
99.04463	1.4
103.03944	2.1
105.07008	2.6
107.08612	2.2
109.06548	1.3
109.10143	1.4
111.08052	1.1
111.11719	83.2
112.12083	1.3
115.03932	5.3
119.08561	2.0
121.06516	1.7
121.10179	1.8
127.01293	1.8
127.03878	5.1
129.06973	2.2
129.12753	100.0
130.13086	2.9
131.08556	2.8
133.04961	9.2
133.10132	1.8
134.99487	1.1
135.05392	1.1
135.08052	1.3
137.06023	2.5
138.40483	1.1
143.08522	1.7
145.04927	7.7
146.05295	2.3
149.09622	1.9
150.07544	1.0
155.08549	1.3
157.10123	1.8
161.09601	1.9
163.06007	3.3
163.07530	0.9
167.08548	1.1
169.05978	1.3
170.06261	1.2
173.09644	1.4
175.07625	1.1
175.11140	1.1
181.10107	1.7
189.09111	1.6
189.94832	1.0
192.09305	1.1
199.16930	20.3
209.13286	1.4
211.11211	1.1
213.12616	1.4
217.08644	2.4
217.17975	21.8
226.99554	1.1
232.77611	1.0
293.18964	1.2
317.08466	16.4
451.20593	1.9
483.19974	1.1
528.22925	3.6
528.40247	1.3
529.14618	12.3
529.27942	1.2
546.25165	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46610	1.1
53.03950	1.6
55.01876	5.6
55.05503	10.3
56.34241	1.1
57.03428	9.7
57.07073	15.7
57.59564	1.0
59.04999	3.4
61.02926	5.8
67.05495	4.2
69.03428	16.9
69.07068	63.3
70.06590	21.3
70.55843	3.8
71.01340	2.2
71.04994	6.3
71.08627	10.1
73.02917	22.6
73.06557	10.2
73.53283	1.0
77.07037	1.2
79.05510	1.6
81.03411	4.2
81.07061	4.0
83.04971	3.5
83.08627	4.1
85.02903	33.5
85.10174	4.5
86.31672	1.0
87.04467	1.7
89.06029	28.0
91.05491	4.1
93.07040	4.8
95.04971	3.5
95.08597	3.9
97.02894	20.3
97.03503	1.6
97.06516	1.6
99.04502	1.4
105.07029	4.1
107.08600	3.1
109.02917	3.1
109.06507	1.8
109.10115	1.3
111.04432	2.2
111.11717	90.6
112.11980	1.9
115.03964	10.3
118.22185	1.1
119.08603	3.5
121.02847	3.3
121.06555	1.6
121.10148	1.6
127.03919	9.1
129.05463	1.7
129.06920	1.6
129.12755	100.0
130.13104	2.8
131.08583	2.7
133.04984	11.1
133.06502	1.6
133.10114	2.6
135.08032	1.5
137.05989	1.9
141.07039	1.4
142.07811	1.3
143.08560	1.3
145.04955	8.9
145.10190	2.2
157.10126	3.2
159.08109	2.0
161.09613	1.5
163.06044	3.5
165.09126	1.5
166.74010	1.1
167.08444	1.1
169.10185	1.3
171.11710	1.3
191.10687	1.3
195.11758	1.8
199.16931	20.6
201.09084	1.6
211.11310	1.6
217.08516	1.3
217.18010	21.8
219.63930	1.0
223.06033	1.8
229.94051	1.2
241.07048	2.0
301.16425	1.4
313.07086	1.8
317.08353	12.5
325.07010	10.2
382.12811	5.9
439.22757	1.8
474.23544	1.4
475.24774	4.1
476.38321	1.2
529.14081	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	6.7
62.58544	4.7
67.05508	13.4
69.03423	7.8
69.07069	6.1
70.47528	15.3
79.05506	11.9
81.07073	18.8
83.04977	8.1
85.02914	10.6
91.05489	13.8
93.07055	19.2
95.01370	6.0
95.05002	6.8
95.08614	22.0
97.02910	8.1
105.07050	13.6
107.08598	13.7
109.06545	8.0
109.10170	7.5
111.08102	20.4
119.08600	15.3
121.06514	11.3
121.10155	8.2
123.08070	9.1
124.07589	12.5
126.09215	10.4
128.06248	5.5
131.08595	8.7
133.06561	4.5
133.10159	13.4
133.61948	4.7
135.08063	9.5
135.11707	9.7
143.08609	6.5
145.10118	21.6
147.08018	4.9
151.07642	7.7
157.10107	8.1
161.09645	6.1
161.13298	6.1
171.11668	5.1
173.13297	8.4
175.11174	6.7
183.11739	6.4
183.63310	5.0
185.13307	8.0
192.10168	8.9
197.08221	5.8
197.13380	5.1
201.12648	7.5
207.11726	9.1
211.14816	6.2
219.13806	10.0
241.15793	6.4
254.05962	4.9
257.09189	25.4
267.27197	5.0
277.19550	6.6
283.07153	10.7
285.08673	13.3
287.10263	13.1
295.20581	14.1
313.21567	45.1
315.09793	7.2
325.08765	5.7
329.07861	9.9
331.22647	100.0
332.23059	7.8
335.09378	12.3
349.23682	44.6
351.13211	12.3
450.16306	10.9
452.18076	13.2
454.19595	13.1
468.17471	7.4
478.15402	7.1
482.19446	6.1
496.17087	21.3
525.71906	5.9
528.25250	47.0
529.25311	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.05508	6.1
56.89805	1.8
61.53400	1.9
67.05517	10.3
69.07060	6.4
71.32125	2.3
75.02401	2.1
76.96117	1.9
79.05491	3.7
81.07043	8.3
83.04994	15.1
83.08604	2.3
85.06532	3.6
91.05482	9.2
93.07040	10.8
95.04934	3.2
95.08603	17.0
96.00679	1.8
103.05484	3.8
105.03415	12.6
105.07040	9.7
106.03724	7.6
107.03953	1.9
107.08590	8.0
109.10146	2.7
111.04409	9.2
111.08086	6.7
117.06998	4.6
119.08578	12.3
119.22076	1.9
121.06482	2.3
121.10148	3.3
123.08060	4.4
128.06223	4.6
129.06981	8.2
131.04929	4.4
131.08588	6.4
133.10130	9.5
139.07578	3.8
141.07030	1.9
142.07785	6.4
143.08560	8.2
145.10117	8.0
147.07997	2.0
147.11691	4.2
155.08565	12.4
156.09300	3.9
157.10164	22.5
159.08055	3.9
159.11707	6.1
165.07062	2.3
167.08661	3.5
169.10107	8.9
171.08115	2.1
171.11711	12.1
173.09644	2.7
175.07483	1.9
175.11220	2.6
179.08498	2.2
181.10126	10.3
183.11726	10.0
185.09557	2.3
185.13263	3.2
187.11111	2.7
191.10654	2.4
192.09280	3.3
193.10118	6.6
194.10999	2.5
195.11728	10.5
196.12474	2.3
197.13242	6.6
199.11182	8.5
203.08647	3.0
205.10144	3.7
206.10782	5.4
207.11731	11.5
208.12376	2.8
209.13231	14.3
211.11458	2.1
213.12720	2.1
217.10263	3.7
217.12250	11.1
219.11749	11.4
221.13283	9.0
223.11075	3.4
223.14804	5.8
225.12723	3.5
227.14417	2.6
231.11789	4.6
232.12395	4.9
233.13196	8.5
235.14893	4.3
239.14117	2.4
241.38217	2.2
243.11588	2.7
245.13284	8.1
245.15459	2.9
246.13994	5.2
247.11113	2.6
247.14876	10.5
248.15480	3.0
249.12762	4.1
249.16367	4.2
251.14275	2.3
251.17993	3.6
255.13803	3.1
257.13297	4.1
259.14767	7.0
260.15582	4.5
261.12726	2.2
261.16376	11.7
262.16962	2.9
263.14502	2.4
263.17856	2.6
267.13898	5.7
269.15463	2.1
273.16422	3.1
274.17102	2.8
275.17941	5.5
277.19543	3.4
287.17847	5.3
288.18491	2.3
289.19357	2.8
291.20813	2.4
295.17136	3.2
301.19638	3.1
302.20413	2.0
321.18484	5.4
321.66644	2.0
322.19211	2.5
329.18985	3.6
347.20151	3.7
361.21320	2.6
362.22311	3.8
401.24786	90.6
402.25113	6.9
405.20413	3.0
415.26285	4.1
417.27878	14.7
419.25763	27.0
425.24747	6.8
443.25827	35.6
444.26556	2.2
461.26859	100.0
462.26950	8.8
479.28024	13.4
528.33142	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86428	5.6
53.03905	7.1
55.01873	14.1
55.05519	42.0
57.07067	22.9
63.25071	5.6
65.03922	7.3
67.05496	57.3
69.03411	8.4
69.07055	30.9
70.69096	6.5
71.04994	6.1
71.08628	19.6
71.31324	5.5
71.31738	6.1
71.54910	7.4
73.06541	8.7
79.05494	42.3
81.03407	12.0
81.07054	58.9
83.04990	50.5
83.08608	22.4
85.10174	19.1
89.06023	64.9
91.05473	44.0
92.72668	5.9
93.07048	77.1
95.04971	17.4
95.08595	76.0
97.02886	6.1
97.06533	17.6
97.10178	8.8
105.07017	72.0
107.08617	49.3
109.10153	32.0
111.04450	25.2
111.08073	15.8
117.06995	21.2
119.08566	68.6
121.06474	15.0
121.10140	38.2
123.08076	13.6
123.11668	8.0
125.09661	11.2
126.73209	6.6
129.06969	20.6
131.08582	46.1
132.08931	7.4
133.08623	31.5
133.10136	45.8
135.08055	11.3
135.11705	26.8
141.06984	16.3
142.07759	12.6
143.08557	41.6
145.10152	69.9
147.08078	13.4
147.11690	36.3
149.09615	9.8
149.13268	7.8
151.07591	6.9
155.08516	25.3
156.09285	11.4
157.10144	55.4
158.10599	7.8
159.08026	18.1
159.11678	45.2
161.09648	17.5
161.13310	8.5
163.11156	15.0
164.35667	6.9
167.08629	9.9
169.10100	32.8
170.10811	10.9
171.11696	55.7
172.12265	8.0
173.13269	29.9
175.11229	11.2
177.11249	14.3
178.07898	7.7
181.10130	18.1
182.10919	9.3
183.11746	41.7
184.12201	7.4
185.09706	7.0
185.13226	24.9
185.19034	8.1
187.11162	12.9
187.14844	17.3
189.12746	17.4
193.10088	16.9
193.12181	8.7
194.10899	5.9
195.11714	24.7
196.12419	8.7
197.13185	31.7
198.13943	7.9
199.11137	11.0
199.14775	20.1
201.12772	16.5
201.16212	8.3
205.12152	7.4
207.11584	12.9
209.13266	36.5
210.13957	8.5
211.11130	6.8
211.14841	20.4
213.12825	11.5
215.14369	11.9
219.13750	14.6
221.13251	23.8
223.11134	7.7
223.14789	16.9
225.12781	14.4
225.16397	10.4
227.14311	12.6
229.15967	8.0
231.13689	7.7
233.13205	10.9
235.11133	11.2
235.14844	17.9
237.16397	16.4
239.14374	15.8
239.18036	9.3
241.15961	7.9
245.15279	20.1
249.16431	12.2
251.17972	12.1
253.15828	11.0
255.17358	10.2
257.15448	8.1
261.16452	8.4
265.19418	9.5
271.16873	12.1
273.18686	10.8
275.20172	16.0
279.17410	9.8
285.18527	15.2
295.16730	10.7
297.18530	10.7
299.20248	9.4
304.17523	6.2
307.20459	14.3
309.22122	7.0
311.20126	9.4
311.25684	20.0
314.07828	11.5
325.21588	26.1
329.62943	6.5
333.22049	13.7
353.13910	9.5
366.25482	11.7
374.84793	8.0
383.14868	14.3
387.23090	8.0
406.13379	7.6
411.26578	7.2
429.22668	7.6
429.27838	34.0
436.32632	10.0
447.29053	71.9
461.26917	8.5
465.30066	100.0
475.24789	16.5
479.28857	7.8
493.25772	19.8
510.36124	10.2
528.37610	76.2
529.35046	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35313	3.3
51.05728	3.6
53.03947	11.1
53.63458	3.5
55.01874	4.1
55.05510	32.8
57.03428	3.3
57.07066	8.4
61.98843	3.6
65.03941	4.6
67.05180	6.3
67.05506	82.4
68.05844	4.2
69.07070	36.6
69.82911	10.1
69.83324	7.3
71.04961	5.3
79.05494	58.2
81.03414	9.6
81.07056	81.8
83.04966	8.9
83.08609	15.2
85.06513	4.7
89.06023	10.7
91.05473	47.1
92.05801	5.2
93.07047	93.5
94.07391	3.5
95.04982	17.0
95.08604	87.9
96.08904	3.8
97.06525	12.8
97.10165	3.6
99.08121	4.4
105.07021	60.5
106.07343	3.6
107.08591	63.1
109.06532	10.6
109.10158	37.6
111.08089	13.8
117.07014	14.9
119.08578	52.9
121.06533	5.8
121.10143	49.5
123.08080	19.2
123.11677	12.7
125.09599	6.9
128.06226	5.8
129.07014	12.0
131.08568	35.2
133.10130	49.7
135.08051	14.1
135.11684	25.7
137.05948	4.2
137.09656	11.4
139.07550	12.7
143.08543	16.3
145.10118	43.8
147.08040	4.5
147.11649	20.8
149.09608	7.6
149.13274	16.3
151.11185	7.9
157.10141	26.5
158.10876	4.2
159.11696	40.8
161.09604	15.8
161.13239	22.6
163.11252	8.0
165.12782	7.5
169.10133	13.6
171.11679	26.9
173.13268	51.2
175.11163	14.1
175.14799	12.9
177.12729	12.1
183.11700	13.9
185.09671	5.5
185.13260	22.0
187.11224	5.5
187.14825	14.5
188.28745	4.2
189.12749	8.6
189.16391	6.8
193.10144	4.2
193.12164	5.8
195.11699	4.4
197.13266	12.4
199.14835	13.8
201.12683	8.0
201.16393	6.6
203.14311	5.3
207.13773	3.7
209.13341	6.0
211.14735	8.5
213.16382	7.1
215.18040	4.5
217.15823	4.8
221.15549	3.9
223.14870	6.5
225.16382	9.9
227.17953	8.7
229.15752	6.5
241.19624	4.4
243.17502	5.3
245.19000	11.2
249.16432	4.3
251.17949	5.5
253.19539	4.6
255.17352	5.5
257.40604	4.0
281.18994	7.3
283.20514	5.1
283.26294	4.4
293.22610	5.1
295.20462	4.3
295.24030	5.0
297.22092	5.5
309.22217	7.4
311.23663	78.0
312.23944	4.4
313.25116	24.8
323.23599	4.8
337.25253	8.4
369.30661	4.1
405.31326	11.4
415.29770	7.3
433.30936	60.6
437.34424	4.0
451.31992	100.0
452.32355	6.6
511.37695	4.1
528.37958	28.8
529.32166	4.6
529.39044	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86428	5.6
53.03905	7.1
55.01873	14.1
55.05519	42.0
57.07067	22.9
63.25071	5.6
65.03922	7.3
67.05496	57.3
69.03411	8.4
69.07055	30.9
70.69096	6.5
71.04994	6.1
71.08628	19.6
71.31324	5.5
71.31738	6.1
71.54910	7.4
73.06541	8.7
79.05494	42.3
81.03407	12.0
81.07054	58.9
83.04990	50.5
83.08608	22.4
85.10174	19.1
89.06023	64.9
91.05473	44.0
92.72668	5.9
93.07048	77.1
95.04971	17.4
95.08595	76.0
97.02886	6.1
97.06533	17.6
97.10178	8.8
105.07017	72.0
107.08617	49.3
109.10153	32.0
111.04450	25.2
111.08073	15.8
117.06995	21.2
119.08566	68.6
121.06474	15.0
121.10140	38.2
123.08076	13.6
123.11668	8.0
125.09661	11.2
126.73209	6.6
129.06969	20.6
131.08582	46.1
132.08931	7.4
133.08623	31.5
133.10136	45.8
135.08055	11.3
135.11705	26.8
141.06984	16.3
142.07759	12.6
143.08557	41.6
145.10152	69.9
147.08078	13.4
147.11690	36.3
149.09615	9.8
149.13268	7.8
151.07591	6.9
155.08516	25.3
156.09285	11.4
157.10144	55.4
158.10599	7.8
159.08026	18.1
159.11678	45.2
161.09648	17.5
161.13310	8.5
163.11156	15.0
164.35667	6.9
167.08629	9.9
169.10100	32.8
170.10811	10.9
171.11696	55.7
172.12265	8.0
173.13269	29.9
175.11229	11.2
177.11249	14.3
178.07898	7.7
181.10130	18.1
182.10919	9.3
183.11746	41.7
184.12201	7.4
185.09706	7.0
185.13226	24.9
185.19034	8.1
187.11162	12.9
187.14844	17.3
189.12746	17.4
193.10088	16.9
193.12181	8.7
194.10899	5.9
195.11714	24.7
196.12419	8.7
197.13185	31.7
198.13943	7.9
199.11137	11.0
199.14775	20.1
201.12772	16.5
201.16212	8.3
205.12152	7.4
207.11584	12.9
209.13266	36.5
210.13957	8.5
211.11130	6.8
211.14841	20.4
213.12825	11.5
215.14369	11.9
219.13750	14.6
221.13251	23.8
223.11134	7.7
223.14789	16.9
225.12781	14.4
225.16397	10.4
227.14311	12.6
229.15967	8.0
231.13689	7.7
233.13205	10.9
235.11133	11.2
235.14844	17.9
237.16397	16.4
239.14374	15.8
239.18036	9.3
241.15961	7.9
245.15279	20.1
249.16431	12.2
251.17972	12.1
253.15828	11.0
255.17358	10.2
257.15448	8.1
261.16452	8.4
265.19418	9.5
271.16873	12.1
273.18686	10.8
275.20172	16.0
279.17410	9.8
285.18527	15.2
295.16730	10.7
297.18530	10.7
299.20248	9.4
304.17523	6.2
307.20459	14.3
309.22122	7.0
311.20126	9.4
311.25684	20.0
314.07828	11.5
325.21588	26.1
329.62943	6.5
333.22049	13.7
353.13910	9.5
366.25482	11.7
374.84793	8.0
383.14868	14.3
387.23090	8.0
406.13379	7.6
411.26578	7.2
429.22668	7.6
429.27838	34.0
436.32632	10.0
447.29053	71.9
461.26917	8.5
465.30066	100.0
475.24789	16.5
479.28857	7.8
493.25772	19.8
510.36124	10.2
528.37610	76.2
529.35046	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
55.05514	12.4
57.07075	10.9
57.50029	2.8
67.05500	24.1
69.04958	17.1
69.05381	15.9
69.07077	14.5
71.04991	3.5
71.08643	9.2
79.05499	15.3
79.36822	3.2
81.03429	9.7
81.07055	29.5
83.04980	4.3
83.08591	5.9
85.10215	4.2
89.06055	9.5
91.05502	14.4
91.07487	3.3
93.07054	27.0
95.04981	9.0
95.08602	37.8
95.18776	4.1
97.06656	3.9
98.22655	7.8
102.03345	2.9
105.07036	18.5
106.07368	3.9
107.04974	3.1
107.08584	26.3
109.10181	19.8
111.08142	8.1
116.12700	3.1
117.07048	4.4
119.08614	28.7
121.10146	20.1
123.04546	2.9
123.08088	8.3
123.11765	8.9
123.53488	3.7
125.09588	4.3
128.03944	3.1
131.08563	10.3
133.08633	3.5
133.10101	21.7
135.11707	9.9
137.05876	3.5
141.09044	3.3
143.08592	9.4
145.10161	16.4
147.11710	11.1
151.11194	4.2
157.10139	13.1
158.10899	3.2
159.11650	25.5
161.09630	8.4
161.13316	12.8
167.07057	14.9
168.07484	5.7
169.10164	4.1
170.64835	3.0
171.11719	14.9
173.13258	35.2
175.14766	4.3
185.13283	10.3
187.14819	7.0
199.14886	5.3
201.05260	3.6
205.12268	4.7
209.13353	3.8
225.16420	4.3
245.19012	10.5
253.19504	6.4
256.26385	7.2
257.18976	4.8
271.20700	4.9
283.20483	4.4
311.20331	4.0
311.23639	19.7
313.21591	8.6
327.23187	3.7
405.31531	11.1
433.30991	29.2
451.32166	100.0
452.32520	9.2
484.27850	15.8
511.27997	5.1
529.38940	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	11.1
57.07069	4.8
57.77203	3.7
59.18327	3.7
64.59904	3.6
67.05513	27.2
69.07070	8.1
71.32325	5.9
79.05498	21.4
79.18788	3.7
81.07062	31.9
83.04962	7.8
83.08617	7.3
89.06022	24.0
91.05501	21.3
93.07053	33.4
95.04977	6.5
95.08606	100.0
105.07015	27.1
107.08604	27.8
107.73579	3.7
109.10162	17.8
117.07034	5.8
119.08617	31.4
121.10165	26.6
123.11705	9.7
129.06996	5.7
131.08603	15.1
133.08580	11.5
133.10132	38.4
135.08102	4.5
135.11678	11.7
143.08554	11.5
145.10124	23.7
147.11710	15.0
151.07567	4.9
153.05550	4.5
157.10121	13.5
159.08032	5.8
159.11647	23.6
161.09607	4.9
161.13261	11.9
167.07019	6.0
171.11702	16.3
173.09691	6.7
173.13287	11.3
175.14844	11.7
177.16420	4.7
187.11122	6.0
187.14804	17.9
189.16339	11.1
193.12349	6.2
199.14803	10.3
201.12863	4.3
203.14265	4.6
204.32819	4.0
205.15912	5.0
213.12799	6.0
213.16393	5.7
215.14346	16.7
217.15869	13.9
219.17432	6.8
231.17441	11.9
233.15372	17.4
268.95032	3.9
269.14954	4.1
269.23029	4.6
283.26324	9.1
304.48318	4.1
311.23508	20.3
329.20557	4.6
337.25391	10.1
433.30957	25.1
451.32080	33.9
528.16174	5.8
528.37653	5.9
528.49457	6.6
529.38324	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.05510	5.7
67.05492	12.7
69.07066	6.6
71.31608	3.2
79.05495	6.7
79.08997	1.9
81.07061	12.0
83.04993	5.9
83.08614	3.2
91.05466	12.4
93.07039	17.7
95.04948	3.6
95.08607	24.8
97.06561	5.1
105.07046	15.8
107.08592	17.0
109.06517	4.1
109.10155	9.2
111.04485	2.5
111.08095	5.6
117.07029	4.1
119.08601	20.6
121.06473	3.6
121.10162	11.9
123.08067	7.8
123.11697	2.8
129.07013	4.0
131.08609	10.9
133.10091	11.6
135.11671	2.8
141.06961	2.8
142.07758	4.0
143.08546	12.6
145.10118	10.0
147.08089	3.2
147.11708	5.6
155.08546	8.3
156.09358	2.8
157.10123	22.1
159.11729	12.5
161.09630	7.5
161.13254	5.0
167.08553	4.6
169.10103	17.4
171.11671	11.0
173.09595	3.7
173.13159	3.1
175.11230	3.4
177.65271	2.1
180.09239	2.4
181.10115	9.4
182.10924	3.1
183.11743	11.5
185.09569	3.2
185.13237	6.7
187.11290	2.4
189.12857	5.2
193.10176	5.9
195.11726	11.4
197.09595	3.6
197.13159	9.6
199.11160	6.2
199.14713	5.0
201.12790	2.9
206.10992	3.2
207.11734	7.0
209.09532	3.5
209.13202	13.7
211.11275	3.0
211.14807	7.9
217.12161	2.4
219.11676	3.4
219.13770	2.9
221.13228	6.4
223.11211	3.6
223.14838	10.7
225.12852	2.9
225.16417	4.5
226.10025	2.0
229.12265	3.7
233.13283	4.3
235.14859	5.2
237.12833	3.2
237.16420	5.0
239.14377	3.4
239.18091	2.5
241.15994	2.3
243.13701	2.9
245.15486	2.5
247.14796	4.3
249.12793	3.4
249.16466	2.8
251.14326	7.2
253.15875	5.5
259.14734	2.6
261.16269	5.5
265.15872	8.4
267.17435	5.1
269.15396	5.6
271.16971	5.3
277.16022	3.1
277.19244	2.9
279.17609	2.9
283.17004	3.9
285.18521	5.9
287.20493	2.6
289.19461	5.6
291.17422	4.5
297.18634	3.4
299.20135	3.8
305.18848	3.4
307.20587	14.3
325.21625	16.0
333.22098	5.6
351.23080	2.9
366.25449	2.5
387.23163	4.2
405.24139	5.8
411.26773	6.2
419.29501	5.9
429.27899	17.9
447.28925	38.7
448.29221	4.9
465.29980	100.0
466.30325	10.8
528.37048	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03905	0.3
67.05492	0.3
68.62997	0.2
69.70456	0.5
69.70844	0.6
81.03401	0.6
83.04932	0.9
85.02866	0.5
91.05451	0.4
93.03353	0.4
95.04906	0.6
111.04394	0.9
115.05387	0.4
118.06505	0.6
119.04888	0.3
123.04417	4.7
127.03814	0.5
129.06979	1.3
130.06532	1.5
131.04863	0.5
132.04472	0.6
132.08032	0.4
134.05997	0.3
137.02342	16.3
137.03375	1.7
139.03902	0.5
142.06535	0.3
143.04907	0.4
144.08083	3.6
145.06430	0.3
145.16096	0.2
146.04980	0.3
146.06003	3.2
147.04404	4.1
148.40833	0.3
154.06509	6.8
154.07739	0.4
155.06053	0.3
155.07246	1.2
156.06891	0.4
156.08073	4.9
158.05975	1.3
159.04427	0.3
159.06764	0.4
159.09093	0.7
160.07542	1.4
161.10667	0.6
163.03864	0.3
167.07333	1.4
170.06004	5.8
172.03899	1.2
172.07521	1.5
174.05548	1.5
175.07408	0.3
178.04832	0.3
182.06015	11.9
183.06784	4.2
184.07594	3.9
185.07033	0.6
186.05472	0.5
187.08595	0.8
188.07106	0.4
191.07066	0.4
191.08524	1.0
192.08173	0.3
198.05499	0.4
200.07085	0.5
203.08548	0.8
206.09616	0.4
210.05482	1.1
217.08888	1.2
218.07486	0.4
218.09647	7.1
219.07990	1.5
219.09985	0.6
220.07590	0.4
220.11172	0.4
221.06047	0.3
221.08302	0.4
227.08072	0.6
228.06306	0.7
228.08089	1.0
230.09616	1.0
231.08147	0.4
233.08376	0.5
234.09067	0.7
236.07016	0.5
236.10747	0.5
237.07819	0.6
245.08231	0.5
246.09131	9.8
247.07483	2.0
247.09785	0.8
248.10637	0.4
249.07762	2.1
252.10194	1.6
256.07660	0.9
257.08322	0.3
258.09082	0.5
260.06979	0.3
262.08640	1.6
263.09393	0.8
264.10196	17.7
265.07358	0.8
265.10458	0.9
266.11789	1.3
273.07910	0.7
274.08649	5.6
275.09363	1.3
276.06567	0.5
276.10196	1.5
277.07251	0.4
278.08096	1.2
280.09653	2.8
290.08081	1.0
291.09006	1.4
292.09656	100.0
293.10040	5.7
294.11148	2.0
302.08096	5.5
303.08575	0.4
305.06824	1.1
308.09122	1.5
309.12347	0.8
310.10550	0.4
319.10745	1.5
320.09152	29.0
321.09366	1.5
337.08078	0.5
337.11826	4.4
338.10114	7.5
339.10504	0.6
340.80893	0.3
388.12775	0.4
484.16135	1.7
494.14346	1.6
511.17145	1.9
512.15527	7.1
513.15973	0.7
529.18243	8.6
530.18506	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
57.80854	0.6
64.88066	0.6
66.52842	0.6
67.05497	2.1
69.07064	1.2
69.26540	1.6
69.26969	2.8
73.36508	0.6
79.05504	2.1
81.03441	1.3
81.07070	3.0
90.08259	0.5
91.05497	1.9
93.07056	2.4
95.08614	2.2
97.06510	0.6
105.07039	1.6
107.08592	2.0
109.10191	1.0
117.06991	0.8
117.17115	0.6
119.08575	2.0
121.10159	1.8
133.10123	1.7
135.11697	1.0
145.10091	1.7
147.07979	0.8
147.11713	0.8
157.10104	0.7
159.11722	1.2
161.09509	0.7
165.05499	1.2
165.06912	1.2
173.13268	0.7
179.08548	0.7
181.12288	1.0
183.08018	0.9
197.09669	1.1
209.09679	1.1
210.06769	2.5
211.07544	2.8
220.08786	1.2
221.09726	1.2
223.07701	0.9
225.05275	0.8
225.09119	2.0
226.06145	0.8
227.06995	1.0
233.09731	0.8
235.11201	2.1
237.09204	1.5
238.06284	1.3
239.07115	1.9
240.07793	1.5
241.04965	1.9
241.08640	1.1
243.06580	2.5
247.07602	1.2
248.08333	1.2
249.09109	1.7
251.07153	1.5
252.07770	1.0
252.11234	0.9
253.04837	0.8
253.08559	1.9
254.05745	1.8
255.06650	2.3
255.10045	1.0
256.07288	1.8
257.04407	0.8
263.08102	0.9
263.10620	4.3
264.11423	1.2
265.08563	2.6
265.12119	1.0
266.09268	0.9
268.07355	2.6
269.08148	2.5
270.05209	2.2
271.05923	1.9
272.06219	0.6
273.07553	1.0
275.90628	0.7
277.08606	2.1
278.09195	1.0
279.06674	0.9
279.09955	1.0
280.10870	3.1
281.08115	1.3
281.11612	1.1
283.06107	1.1
283.09677	2.3
284.06863	1.2
285.07617	5.4
286.04785	0.7
286.07892	0.7
291.10165	2.5
292.10983	1.0
293.08063	2.1
293.11740	2.4
294.08936	1.3
294.12234	1.3
295.09851	1.4
295.13300	6.1
297.07651	5.3
297.10828	1.0
298.08334	1.9
299.05969	0.6
299.09180	1.9
300.06213	1.2
301.07114	2.9
302.07892	2.9
307.09711	1.8
308.10388	2.5
309.07910	1.0
309.11252	2.7
311.09021	4.6
312.09897	1.9
313.07083	1.0
313.10605	1.2
315.08871	3.1
316.09396	15.2
317.10104	2.7
321.11111	3.4
322.11902	2.9
323.05579	1.4
323.09180	1.3
323.12698	11.4
324.13474	2.1
325.10605	1.7
325.14365	3.1
327.15793	2.2
328.09482	1.0
329.10291	3.1
338.11444	2.4
339.12131	1.0
343.11710	4.1
353.13864	13.6
354.14502	4.0
355.15411	15.7
361.10422	5.4
370.14050	1.8
376.12753	1.2
385.16446	59.1
386.16687	3.6
407.14630	100.0
408.14984	7.3
448.17123	1.7
529.37689	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.01884	0.6
55.05508	6.4
57.03428	1.0
57.07067	1.6
59.04957	0.6
67.05504	10.6
69.07069	5.5
71.08635	0.7
71.31717	0.8
73.71069	0.6
79.05492	9.2
79.66453	0.5
81.03424	1.7
81.07049	11.1
82.07383	0.7
83.04969	2.3
83.08617	2.9
85.06551	0.6
90.09097	0.5
91.05473	7.6
93.07046	9.9
93.46664	0.5
95.04968	1.2
95.08611	8.9
97.06525	1.3
97.10159	1.2
103.05468	2.2
105.03387	1.0
105.07027	7.1
107.04971	1.2
107.08611	6.0
109.06461	0.7
109.10160	4.0
111.08102	1.2
115.05460	0.7
117.07009	2.8
119.08569	4.4
121.10160	4.0
123.08041	0.6
123.11712	1.2
125.09556	0.9
128.06216	1.0
129.07014	1.4
131.04904	2.8
131.08569	4.7
132.08875	0.6
133.10144	4.1
135.08078	1.1
135.11707	2.2
141.06976	0.9
143.08569	2.0
145.08308	0.5
145.10124	4.0
146.10483	0.6
147.11700	1.6
149.09631	1.0
149.13274	1.9
151.11121	0.6
155.08540	1.4
157.10141	2.1
159.08148	0.6
159.11630	3.2
161.13306	0.8
163.11200	0.6
163.14853	0.5
165.05391	0.6
167.07166	0.7
169.10188	0.9
171.11755	1.6
173.09641	0.6
173.11823	0.5
173.13303	1.9
177.09119	0.6
179.08530	0.8
181.10143	1.4
183.11765	1.6
185.13283	0.9
193.12170	0.8
195.13779	1.1
197.09575	0.7
197.13130	0.7
199.14822	1.2
209.09665	0.7
210.06824	0.6
211.07520	2.3
220.08841	0.6
223.15114	0.7
225.09177	1.4
225.16379	0.7
226.06236	0.7
227.07111	0.7
237.09135	0.9
239.07106	0.9
241.04953	0.7
243.06403	0.8
248.08226	0.8
249.09186	1.5
251.10686	0.8
252.07790	0.7
254.05753	1.1
256.07315	0.7
263.06927	0.6
263.10742	1.6
265.08582	2.1
266.09299	0.8
267.10089	0.6
268.07196	0.6
269.08102	1.1
270.05331	0.7
271.05972	0.7
273.07578	0.8
277.08554	1.3
279.10022	0.8
280.10999	1.2
281.07953	0.8
283.06033	0.8
283.09537	0.8
285.07562	1.6
291.10114	1.0
293.08093	1.1
293.11502	1.2
295.09903	0.7
295.13300	2.7
297.07495	2.0
297.11035	0.9
298.08444	0.8
301.07040	1.5
302.08078	0.9
307.09622	1.0
308.06848	1.0
308.10522	1.5
309.11069	1.0
311.09177	1.6
311.25851	2.7
312.26132	2.9
313.10596	1.0
315.08630	1.2
316.09387	6.0
321.10959	1.1
322.11859	1.1
323.05267	16.5
323.08771	0.9
323.12640	5.5
324.05698	0.7
325.10385	0.7
327.15942	1.0
328.09326	0.9
329.10297	1.1
338.07611	23.5
338.10803	0.8
339.08038	0.9
343.11862	1.5
346.11896	1.7
353.13971	6.0
354.14624	1.8
355.15347	7.3
361.10474	9.9
365.09882	0.8
376.12781	12.1
377.09671	0.9
377.13614	8.8
378.14035	0.6
385.16418	20.3
386.16602	1.4
392.12286	2.2
405.27042	0.8
407.14639	100.0
408.14874	7.1
437.34186	1.4
448.17368	2.2
456.97763	0.7
465.29306	1.6
511.38089	0.8
528.37543	2.6
529.39331	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2047
Annotation	Physalin Y
Peak:m/z	Relative Intensity
55.05507	0.3
57.03432	0.3
62.77189	0.2
67.05493	0.7
69.03436	0.9
70.13052	0.4
70.13383	0.5
79.05502	1.1
81.07055	2.1
82.07424	0.6
83.01124	0.6
83.04956	0.3
85.02908	0.4
91.05486	1.0
93.07048	0.4
95.01093	1.2
95.04944	0.4
95.08617	0.6
96.01870	0.4
97.02936	0.3
103.05485	0.6
105.07049	0.6
107.04957	8.7
107.08584	0.5
108.05309	0.4
109.06544	0.6
113.02123	1.2
115.03912	0.5
115.05457	0.8
117.07018	0.5
119.08652	0.4
121.06486	0.3
121.10165	0.3
128.10207	0.3
131.04977	0.6
133.04929	0.3
133.10097	0.3
135.08051	1.2
137.05983	2.0
138.06296	0.5
143.08597	0.4
144.61421	0.3
145.06554	0.4
145.10149	0.6
147.07990	0.4
155.08533	0.3
157.04723	0.5
157.10086	0.7
159.11652	0.5
163.07539	4.4
164.08186	0.4
171.04167	1.4
175.07677	0.3
175.11116	0.4
185.04245	2.4
185.05739	0.6
185.09618	0.3
186.06522	15.4
187.07246	1.1
201.03717	2.5
201.16434	0.8
203.05341	1.4
217.79581	0.3
263.81723	0.2
349.14182	1.4
365.12000	1.5
367.15378	0.5
405.92545	0.3
440.97217	0.3
453.21844	0.5
529.20441	100.0
530.12866	0.6
530.20752	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.5
67.05492	0.6
69.03432	1.9
69.07072	0.7
79.05491	1.3
81.07053	2.2
82.14233	0.5
85.02907	1.1
85.17735	0.5
91.05492	0.9
93.07052	0.8
94.02962	0.4
95.04930	0.7
95.08629	1.1
97.02855	0.8
98.22607	1.0
105.07056	1.7
107.08633	0.7
109.06522	1.1
109.10194	0.8
115.03929	1.4
119.08598	1.0
121.06444	0.5
122.62511	0.5
131.08557	1.1
133.04976	1.6
133.10083	0.6
137.05991	1.9
139.07558	0.7
139.65179	0.5
143.08592	0.8
144.55287	0.4
145.10124	5.7
155.08614	0.8
157.10150	0.7
159.11676	1.1
169.04926	0.5
171.04175	34.5
172.04953	7.0
173.05673	0.7
173.09750	0.5
185.04243	3.5
186.06679	0.5
198.68652	0.4
199.14853	0.7
200.15211	1.0
201.16408	3.2
216.48242	0.5
228.02122	0.6
289.09186	0.5
334.10245	9.8
335.10800	2.6
367.15161	7.6
405.83295	0.5
435.21930	0.8
453.22650	1.4
469.22000	0.6
511.20004	1.0
529.20453	100.0
530.20758	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2046
Annotation	Physalin Y
Peak:m/z	Relative Intensity
57.03413	0.7
69.03434	2.8
69.52126	0.6
79.05490	1.2
80.25378	0.5
80.75727	0.5
81.07070	3.2
83.04963	1.0
83.08611	1.4
85.02904	1.9
87.04472	0.7
91.05499	1.2
93.07002	0.7
95.04997	1.0
95.08571	1.1
97.02876	1.7
105.07031	2.9
107.08601	0.9
109.06537	0.9
109.10155	1.3
111.04431	0.7
115.03938	1.6
115.05447	0.6
117.07014	1.3
119.08584	1.3
129.07053	0.5
131.08542	1.4
133.04944	2.5
133.10127	0.7
135.08089	0.8
137.05983	2.4
143.08508	0.8
145.06462	0.7
145.10126	9.5
151.07553	0.6
155.08585	1.1
157.04782	0.6
159.08110	0.8
159.11708	2.2
161.46288	0.5
171.04173	37.4
172.04955	7.0
173.05742	0.6
179.08484	0.6
185.04172	3.4
186.06593	0.7
189.99709	0.6
199.14859	0.8
200.15150	0.9
201.16379	6.1
233.13382	0.6
311.18726	0.6
334.10233	10.4
335.11139	2.8
345.14917	0.6
367.15219	7.3
453.22644	1.6
469.21988	0.6
511.19443	0.9
529.20428	100.0
530.20703	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88461	1.6
53.03946	4.2
55.01872	3.5
55.05506	4.8
57.03439	2.9
61.02921	4.2
67.05514	11.7
69.03433	16.6
69.05535	12.6
69.05955	3.9
69.07087	4.1
71.04987	2.4
73.02910	4.5
79.05495	24.6
81.03425	3.3
81.07058	100.0
83.05010	3.1
85.02929	9.7
85.59560	1.7
91.05483	15.4
93.07057	13.2
93.50539	1.7
93.65122	1.7
95.04966	5.3
95.08591	10.7
97.02901	8.2
97.06525	3.1
103.05453	2.1
105.07027	18.1
107.04982	2.6
107.08608	11.5
109.02926	2.2
109.06528	31.7
109.10162	4.2
109.50720	1.9
111.08055	2.8
115.03902	2.1
115.05502	2.0
117.07047	6.4
118.33178	1.6
119.08587	17.0
121.06518	4.0
121.10141	5.0
123.08098	5.0
125.09633	1.7
127.03933	3.0
128.06230	3.0
129.05392	1.7
129.06990	5.2
131.08548	9.3
131.35875	1.9
133.04941	2.2
133.06522	4.3
133.10133	11.4
133.56319	2.0
135.08052	4.2
137.05978	82.4
138.06322	3.7
141.07007	4.2
143.08543	6.4
144.08904	2.5
145.05011	2.1
145.06476	4.1
145.10126	17.1
147.08063	6.3
147.11722	5.7
149.09624	3.1
149.39203	1.9
155.08533	11.6
157.10143	7.9
159.08087	3.0
159.11694	15.9
161.09659	3.7
161.13297	2.6
163.07565	4.5
167.08574	2.8
169.10158	6.9
171.11690	3.3
173.09607	10.1
173.13327	2.3
175.11154	4.1
181.10158	2.9
183.08133	2.2
183.11722	5.3
185.09598	4.3
187.11177	5.7
189.09122	3.2
189.12747	3.3
193.10135	2.5
195.11685	3.1
197.13290	3.7
199.11069	4.0
199.14871	4.5
200.15149	2.2
201.12781	2.7
201.16393	18.0
203.10706	2.8
204.15129	2.1
207.11755	3.3
208.12088	2.5
209.13258	3.3
211.11140	2.0
211.14940	2.0
215.14236	2.4
217.08604	2.1
225.12704	3.8
227.14389	2.6
231.10179	3.6
241.15927	2.5
247.13268	3.0
263.14261	2.2
275.20087	10.7
297.14813	2.3
315.15912	5.4
349.23679	4.4
357.16760	3.4
367.24771	3.3
375.18127	6.8
405.20648	13.9
411.82840	1.9
433.19644	2.5
437.23145	18.0
447.21027	2.1
448.25369	3.4
451.21048	9.3
465.22781	2.4
469.22375	5.3
475.25363	2.5
476.25653	2.7
494.26215	2.7
529.33954	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01873	0.7
55.05518	0.7
59.62337	0.3
64.39529	0.3
65.03924	0.5
66.30061	0.3
67.05508	2.3
69.03426	9.5
69.07059	0.6
71.31730	0.5
79.05491	15.2
81.03414	0.8
81.07055	85.7
82.07375	1.9
83.04987	0.9
86.72569	0.3
88.42654	0.3
91.05475	6.2
93.07046	2.5
95.04968	4.0
95.08605	2.8
95.24425	0.4
97.02877	0.9
97.06528	1.0
103.05458	0.3
105.04572	0.4
105.07027	4.9
107.04960	0.8
107.08588	2.9
109.06515	27.0
109.10189	0.4
109.12889	0.3
110.06861	0.5
111.04465	0.4
111.08090	0.9
115.05452	1.2
117.07012	3.1
119.04957	1.4
119.08595	3.1
121.06477	1.7
121.10128	0.9
122.07310	0.3
123.04410	0.8
123.08072	1.6
124.08829	0.5
125.06001	0.6
128.06216	1.4
129.07004	3.4
130.07764	0.5
131.08556	3.8
133.06490	1.7
133.10124	1.8
135.04414	0.4
135.08054	2.8
135.11804	0.5
137.05972	100.0
138.06306	3.0
139.07542	0.5
141.06966	1.8
142.07762	1.4
143.08549	3.8
144.09105	0.3
145.06487	3.1
145.10110	5.9
146.10570	0.4
147.08051	3.3
147.11693	0.6
149.05959	0.4
149.09616	1.0
151.07538	1.5
153.06989	1.0
154.07750	1.0
155.08546	20.5
156.09190	1.3
157.06517	0.8
157.10101	2.4
158.07291	0.4
158.10828	0.4
159.08044	2.4
159.11661	1.8
160.08836	0.7
161.05974	0.7
161.09566	1.6
161.13235	0.4
163.07541	2.3
163.11209	0.4
165.05545	0.6
165.06921	0.7
166.07796	0.5
167.08516	1.6
168.09381	0.7
169.10133	3.7
170.10646	0.4
171.08092	1.8
171.11685	1.7
172.08876	0.9
173.06052	0.6
173.09618	19.3
174.10242	1.6
175.07619	1.9
175.11189	1.6
177.09120	0.9
178.07753	0.9
179.07094	0.7
179.08571	1.9
181.10129	2.2
182.10927	0.5
183.08086	1.4
183.11713	1.9
184.08749	0.4
185.09631	1.9
185.13292	1.0
186.10258	0.5
187.07597	0.5
187.11212	2.2
188.08374	0.4
189.09169	2.2
189.12743	1.0
191.07042	1.0
191.10655	0.8
192.09357	1.3
193.10114	1.6
193.11911	0.4
194.10941	0.8
195.08076	0.9
195.11699	1.9
196.08876	0.5
197.09573	2.6
197.13243	2.5
198.10324	0.5
199.07558	0.6
199.11209	1.0
199.14821	0.4
200.08321	0.6
201.09068	3.0
201.12831	0.5
203.08575	0.4
203.10660	1.5
205.10251	0.5
206.10983	0.7
207.11661	4.4
209.09621	1.3
209.13235	1.8
210.10323	0.6
211.11157	1.5
211.14793	0.7
212.11987	0.4
213.09152	1.3
213.12758	1.4
213.16605	0.4
214.13579	0.6
215.10727	1.0
215.14349	0.4
217.08568	0.9
217.10361	0.5
217.12300	0.4
219.11819	0.4
221.09692	0.9
221.13167	1.9
222.13983	0.6
223.11163	1.1
223.14819	1.0
225.09200	0.6
225.12747	4.6
227.10687	1.0
227.14291	1.2
229.10208	0.4
229.12308	0.8
231.10120	1.5
233.13342	0.7
235.11177	1.6
237.12740	1.4
239.10835	0.7
239.14291	2.5
240.15114	2.4
241.12164	1.0
241.15874	2.3
243.13838	0.5
245.13351	0.5
247.13051	0.5
249.12753	1.1
249.16466	0.6
250.13564	1.0
251.14326	1.0
253.12224	2.2
255.13840	1.0
260.11905	0.5
261.12814	0.5
263.14334	0.5
265.12296	0.4
267.13806	2.0
268.14590	4.6
269.15332	1.6
275.14227	0.5
277.11951	0.4
278.12881	0.4
279.13754	0.9
281.11746	2.2
283.17105	0.5
285.14832	1.1
287.16547	0.7
295.13269	0.9
296.14090	1.6
297.14841	1.7
313.14490	1.6
314.15018	1.0
315.15854	12.2
316.16248	0.7
333.17148	0.7
339.15771	0.5
339.19968	0.4
341.19073	0.5
357.16949	2.1
359.19980	0.8
375.17908	1.6
377.21164	1.2
387.19522	2.5
405.20602	14.0
406.20987	1.4
415.19153	1.2
421.23758	1.2
421.96667	0.4
423.21490	2.7
433.20071	12.8
434.20068	1.6
447.21619	2.1
449.23184	0.7
451.21143	74.9
452.21475	6.6
465.22711	1.5
469.22223	19.1
470.22644	1.8
475.21054	1.4
480.95541	0.4
493.22089	2.2
511.23288	1.8
529.23639	1.1
529.34735	0.8
530.24304	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2434
Annotation	Arisugacin H
Peak:m/z	Relative Intensity
55.05498	0.9
58.37025	1.1
67.05524	2.0
69.03423	1.9
69.07063	1.3
71.05000	1.7
79.05497	2.3
80.77991	1.0
81.07064	6.1
83.04984	1.1
91.05481	6.5
93.07052	3.5
95.04987	2.0
95.08637	1.7
97.02900	1.8
97.06534	1.2
98.22548	2.0
99.04449	3.4
105.07043	4.0
107.08601	3.3
108.91503	1.0
109.06512	5.7
109.10211	1.0
115.05486	1.4
117.07042	3.1
119.08576	3.9
121.06554	1.3
121.10211	1.1
123.08128	2.8
125.06028	1.3
128.06177	1.4
129.07014	3.4
131.08574	2.4
133.06487	2.9
133.10095	1.7
135.08096	1.7
137.05978	9.2
141.07016	3.2
143.08556	3.7
145.06454	1.6
145.10165	4.1
147.08093	2.8
147.11717	1.2
149.09663	1.1
153.06956	1.9
155.08528	9.5
157.10188	4.0
159.08134	1.7
159.11673	2.0
161.09599	2.3
163.07526	1.3
165.07043	2.4
167.08574	6.3
169.10156	4.3
171.11682	3.0
173.09624	5.7
174.10487	1.5
175.11209	1.0
179.08583	4.1
181.10184	6.1
182.10867	1.0
183.08020	2.4
183.11702	2.0
185.09537	1.9
189.09024	1.5
189.12752	4.5
191.08595	3.0
192.09334	2.0
193.10146	4.1
195.11742	5.2
197.09674	2.2
197.13281	2.9
199.11224	1.6
205.10204	3.9
207.07956	1.5
207.11768	5.4
208.12189	1.0
209.09680	2.3
209.13342	3.0
211.11328	1.6
211.14920	1.3
213.09085	1.0
213.12666	1.1
215.10811	1.2
216.09369	2.2
218.10918	1.3
219.11749	3.3
221.09708	1.6
221.13297	5.0
223.11278	2.3
223.14838	4.0
231.11728	4.5
232.12617	1.4
233.09688	1.1
233.13521	6.0
235.11290	1.4
235.14848	2.5
236.12044	1.2
237.12727	2.3
237.16435	1.7
239.14394	1.2
245.13255	1.7
247.11177	1.6
249.09012	1.2
249.12733	7.3
249.16489	1.3
250.13585	1.7
250.17059	1.1
251.14316	6.3
251.18071	1.8
252.15021	1.2
259.14883	1.2
261.16443	3.9
262.17255	1.4
263.18069	1.5
265.15805	2.4
267.13876	3.0
275.14334	1.2
277.15970	1.5
279.17499	3.7
280.18295	1.2
289.15692	1.1
293.15570	1.7
297.18466	1.3
307.17096	1.6
321.18475	1.3
329.22598	1.1
379.22406	1.7
387.19733	2.1
389.21423	1.5
405.20529	9.1
407.22314	8.2
421.23666	1.2
423.21600	11.8
424.22025	2.0
425.23209	3.7
433.19815	2.6
439.24777	1.2
447.21902	2.3
449.23108	1.5
451.21118	19.2
452.22174	1.2
465.22797	5.0
467.24268	5.9
469.22235	100.0
470.22525	8.1
475.20972	2.2
483.23840	2.7
493.22244	6.8
511.23288	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
55.01863	0.5
55.05518	0.6
55.13363	0.3
59.13568	0.3
60.61884	0.3
61.04168	0.3
65.03944	1.1
66.04720	0.4
67.05499	2.0
69.03040	1.0
69.03400	11.5
69.07031	0.4
77.03965	0.4
79.05499	15.0
79.05967	0.7
80.05809	0.3
81.03461	0.4
81.07060	87.1
82.07397	1.3
83.04981	0.7
91.05488	5.8
93.07056	1.3
94.73038	0.3
95.04976	2.4
95.08601	2.9
105.07027	1.9
107.04955	0.5
107.08626	2.1
109.06525	24.1
111.08102	0.3
115.05475	0.9
117.07027	2.0
119.04942	0.9
119.08626	2.2
121.06480	0.9
121.10162	0.7
123.04415	0.4
123.08096	0.9
128.06221	0.7
129.06985	1.1
130.07779	0.3
131.08571	1.6
133.06512	0.6
133.10124	0.9
135.04376	0.3
135.08031	1.6
137.05981	100.0
138.06325	2.6
139.07500	0.3
141.06987	0.5
142.07816	0.7
143.08566	1.8
145.06490	2.3
145.10114	1.6
147.08055	2.0
147.11655	0.4
149.05969	0.6
149.09639	0.4
151.07460	0.6
154.07680	0.4
155.08554	1.3
156.09340	0.6
157.10117	1.3
158.07294	0.6
159.08116	1.5
159.11678	0.9
161.05933	0.4
161.09631	1.4
163.07535	1.7
163.11154	0.4
167.08508	0.5
169.10126	1.8
171.08040	1.1
171.11687	1.2
173.06009	0.5
173.09622	1.7
175.07549	2.1
175.11188	0.6
177.09038	0.5
179.08458	0.6
181.10101	1.0
183.08034	0.5
183.11685	0.8
185.09608	1.3
185.13210	0.5
187.11197	1.1
189.09134	0.8
189.12764	1.1
191.07025	1.0
193.10107	0.8
195.08031	0.5
195.11667	1.3
197.09560	0.7
197.13240	1.0
199.07495	0.6
199.11166	1.2
201.09129	0.8
203.07048	1.8
203.10666	0.7
207.11644	0.8
209.09500	0.4
209.13193	0.4
211.11221	0.7
211.14886	0.4
213.09207	0.5
213.12747	1.2
215.10672	0.8
218.10786	0.5
219.11852	0.4
221.13164	1.0
223.11191	0.6
223.14790	0.5
225.12733	1.2
227.10551	0.5
227.14215	0.6
229.12230	0.4
231.10112	0.7
233.09705	0.3
235.11148	0.5
235.14825	0.3
237.12701	0.8
239.10600	0.6
239.14374	0.7
241.12247	0.8
241.15800	0.7
249.12741	0.6
251.14198	0.7
253.12311	0.5
255.13805	0.8
267.13770	0.5
269.15433	0.9
279.13657	0.6
281.15436	0.4
285.14816	0.9
295.13388	0.4
295.17026	0.6
297.14853	0.6
315.15891	0.9
330.10052	0.4
387.19406	0.5
390.16168	0.4
393.20407	1.0
403.18686	0.7
403.23325	0.5
405.20697	2.0
415.19037	0.4
421.19922	7.7
422.20322	0.4
429.20389	0.4
431.21634	0.4
433.20175	7.3
447.21555	1.0
449.23248	2.3
450.22977	0.4
451.20978	2.8
452.21408	0.4
457.19366	0.4
465.22815	0.4
467.24249	0.7
469.22177	0.9
475.20901	2.8
477.25986	0.6
485.24966	0.4
493.21756	1.9
511.23227	2.8
529.34564	0.6
530.24280	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
53.36390	0.9
67.05509	3.7
68.27609	0.8
69.03429	12.6
70.36027	2.7
77.05558	0.9
79.05500	17.9
81.07059	100.0
82.07401	1.8
83.04980	1.1
85.02908	1.0
88.56109	0.9
91.05486	5.9
93.07051	3.1
95.04933	4.1
95.08629	4.2
97.02910	1.1
97.06525	1.0
98.97605	1.0
105.07035	6.4
107.08614	3.3
109.06525	27.8
110.06848	1.3
111.04467	0.9
117.07033	2.5
119.04983	1.5
119.08572	4.1
121.06532	2.8
121.10188	1.0
123.04532	1.2
123.08103	1.4
128.06227	1.7
129.06999	2.7
130.07822	1.2
131.08582	4.4
133.06528	2.3
133.10168	2.1
135.08104	3.3
137.02353	2.6
137.05980	98.6
138.06332	3.1
141.07053	2.6
142.07780	2.3
143.08560	3.2
145.06503	2.0
145.10100	5.9
147.08052	4.0
147.11688	1.4
149.05977	1.2
155.08537	5.5
156.09335	2.5
157.10120	4.1
159.08084	3.6
159.11710	1.9
161.09642	5.3
163.07614	2.5
165.87416	0.9
167.08487	1.6
169.10138	5.4
171.08099	1.3
171.11708	2.3
172.08975	1.0
173.09677	7.3
174.10402	1.4
175.07541	1.2
175.11150	5.7
181.10063	1.7
183.08118	1.1
183.11726	1.2
185.09676	1.2
185.13359	1.1
187.11194	2.4
188.12053	0.9
189.09128	1.6
189.12770	3.1
190.13527	5.2
195.11670	2.1
199.11308	1.3
201.09142	1.7
203.10638	1.4
207.11716	1.2
211.11176	1.3
213.09161	1.1
213.12833	4.0
215.10709	1.9
215.14430	1.6
216.11418	2.1
217.08449	1.0
221.13367	1.4
223.11188	1.0
223.14862	1.1
225.12758	1.9
227.10677	1.4
227.14342	1.5
229.12273	2.0
231.10182	3.6
233.11789	3.3
239.14346	1.4
243.13878	1.9
243.17429	0.9
251.14218	1.1
255.13770	1.1
257.15399	1.7
267.13815	1.5
269.15344	1.4
285.14871	4.4
297.14801	1.1
305.00766	0.9
311.16318	1.5
313.17892	2.3
315.15857	7.2
329.17401	1.5
330.18188	2.7
337.18027	1.0
355.19519	1.0
356.16205	2.1
357.16922	10.4
359.18509	1.2
374.16986	2.0
375.18417	2.6
393.20609	12.9
405.20673	4.9
407.22235	1.1
421.19525	2.1
421.24518	1.3
422.87881	1.1
423.21829	3.2
433.20187	3.1
447.21515	4.2
449.23318	1.6
451.21182	14.9
452.21463	1.7
465.22705	3.5
467.24326	3.8
469.22040	2.5
475.21124	2.6
483.23694	3.1
493.22147	13.7
494.22440	1.3
511.23248	1.7
529.35242	1.2
534.90204	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	0.5
69.03411	0.2
69.07074	0.4
69.14614	2.0
70.06593	0.2
79.05494	0.2
81.07059	0.6
85.02884	0.3
91.05524	0.3
93.07047	0.5
95.08605	0.5
105.07002	0.4
107.08598	0.5
109.10169	0.3
119.08591	0.3
119.94362	0.2
121.10153	0.5
123.61296	0.2
131.65147	0.3
137.05986	0.2
163.07530	0.3
203.05310	0.4
217.15897	0.2
219.64648	0.2
275.07318	0.8
284.35391	0.2
323.34747	0.2
334.36816	0.2
335.09402	3.8
397.21738	1.4
529.26160	100.0
530.26538	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	0.4
71.04970	0.4
74.60080	0.3
81.07071	0.8
81.53233	0.3
91.05479	0.6
95.08575	0.6
100.11275	0.5
105.07049	0.5
107.08617	0.4
109.06534	0.5
119.08640	0.4
121.06521	0.5
130.84352	0.3
133.10062	0.4
137.05966	0.7
141.07086	0.4
142.07790	0.3
143.08546	0.4
155.08473	0.3
157.10109	0.3
159.08134	0.3
159.11522	0.3
167.08363	0.3
167.77591	0.3
169.10138	0.4
171.08096	0.3
173.09703	0.4
182.15442	0.5
195.11830	0.3
197.13257	0.3
203.05276	0.6
209.13200	0.4
224.47241	0.3
237.16656	0.4
275.07373	1.1
293.18961	0.3
335.09470	4.0
397.21933	5.4
398.22308	0.4
435.30145	0.3
439.20294	0.4
449.84140	0.3
451.20895	0.5
453.22464	0.5
454.23260	0.4
469.22195	0.9
529.26178	100.0
530.26459	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	0.5
69.03411	0.2
69.07074	0.4
69.14614	2.0
70.06593	0.2
79.05494	0.2
81.07059	0.6
85.02884	0.3
91.05524	0.3
93.07047	0.5
95.08605	0.5
105.07002	0.4
107.08598	0.5
109.10169	0.3
119.08591	0.3
119.94362	0.2
121.10153	0.5
123.61296	0.2
131.65147	0.3
137.05986	0.2
163.07530	0.3
203.05310	0.4
217.15897	0.2
219.64648	0.2
275.07318	0.8
284.35391	0.2
323.34747	0.2
334.36816	0.2
335.09402	3.8
397.21738	1.4
529.26160	100.0
530.26538	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2644
Annotation	Tinosinenside
Peak:m/z	Relative Intensity
53.03948	4.3
55.05516	11.3
57.03433	3.2
57.07080	5.0
57.81457	2.6
65.03961	4.5
65.17310	2.9
67.05508	18.9
69.03430	11.9
69.07068	14.2
70.81544	5.6
70.81870	3.3
73.02929	5.2
79.05494	22.0
81.03439	3.2
81.07057	39.6
83.04982	13.2
83.08628	7.8
85.02905	6.2
85.06557	5.3
89.14949	2.7
89.23893	3.2
91.05458	15.8
93.07038	36.3
95.04968	9.1
95.08612	30.5
97.02911	5.8
97.06545	9.2
97.10159	5.1
105.07036	27.1
106.07371	3.8
107.08602	30.6
109.06534	13.3
109.10148	19.5
111.04466	7.4
111.08080	5.6
115.05439	3.1
115.72945	2.9
117.07007	6.1
119.08590	27.9
121.06503	7.9
121.10139	13.1
123.08067	10.7
123.11703	16.7
125.06013	4.6
125.09613	6.7
129.06973	6.5
131.08585	14.9
133.06532	4.3
133.10130	24.5
135.08058	10.6
135.11717	8.1
137.05991	12.9
139.03928	4.8
139.07533	7.5
141.06963	4.5
143.08569	11.0
145.06499	3.4
145.10150	13.4
147.08040	13.1
147.11700	14.2
149.09616	7.3
149.13242	5.6
151.07603	6.3
153.05450	4.8
155.07037	3.7
155.08568	9.3
156.09407	3.2
157.10144	12.1
159.08095	7.5
159.11700	9.5
161.09636	49.0
161.13338	4.1
163.07481	4.5
163.11220	6.4
165.05499	6.1
167.07101	6.7
169.10162	6.9
171.08086	4.5
171.11690	7.6
171.41574	3.2
172.64590	3.1
173.09659	9.9
173.13290	6.1
175.07616	6.0
175.11182	9.6
175.14792	7.5
180.09372	3.5
183.08086	3.7
183.11641	4.7
185.09650	5.1
187.07541	5.2
187.11273	4.1
189.16443	8.0
193.10242	4.5
195.08043	4.2
195.11722	6.8
195.41792	3.7
199.11186	3.1
199.14781	7.1
211.11168	4.6
217.15926	14.3
221.13297	4.0
225.12679	4.7
227.10599	3.8
235.14589	5.9
235.16911	100.0
235.19215	5.6
289.15494	3.3
301.15146	3.8
367.24539	5.9
447.25696	3.8
457.29721	5.4
475.24921	5.0
475.30588	6.3
493.25610	7.5
511.27145	4.0
529.25940	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	16.1
55.01880	14.5
55.05513	79.1
56.47525	4.0
57.07083	7.1
65.03945	11.2
67.05510	52.6
69.02141	46.1
69.03432	34.4
69.07075	46.6
71.05008	4.8
76.58752	4.6
77.03928	5.8
79.05490	51.6
80.05856	4.2
81.03428	12.3
81.07063	37.8
83.04998	30.3
83.08618	31.6
85.02875	7.1
85.06551	29.1
91.05482	92.1
93.07049	89.5
95.04971	37.0
95.08609	79.4
97.02902	6.8
97.06560	16.4
97.10164	7.3
98.22627	9.4
103.05492	8.0
105.07037	99.7
107.04974	9.1
107.08590	67.0
109.06536	27.0
109.10170	20.7
111.04482	24.4
111.08096	22.2
113.06010	7.6
115.05475	16.2
116.06234	7.0
117.07011	30.4
119.04996	6.8
119.08585	72.1
121.06503	72.3
121.10152	32.1
123.00811	8.1
123.04417	7.8
123.08049	46.5
125.09658	5.7
128.06236	16.1
129.05518	4.4
129.07001	28.2
130.07773	6.2
131.08589	74.1
133.06519	21.0
133.10124	58.7
135.04462	5.2
135.08055	81.2
135.11713	11.4
137.05986	8.0
137.09627	16.8
139.07562	8.6
141.07010	16.8
142.07753	25.8
143.08557	46.2
144.09293	7.1
145.06512	13.0
145.10115	65.3
146.07224	4.9
146.10585	4.2
147.08057	40.1
147.11732	21.3
149.09624	67.7
149.13223	6.3
150.10034	5.6
151.07552	6.3
151.11218	8.7
153.06978	6.5
154.07771	5.4
155.03442	5.0
155.05997	5.3
155.08551	28.0
156.09335	21.9
157.10135	87.4
158.07298	7.4
158.10988	4.9
159.08061	58.4
159.11665	47.7
160.08740	8.4
161.06041	4.7
161.09637	79.1
161.13260	11.4
163.07556	35.5
163.11206	14.9
165.07045	14.1
165.09187	6.5
167.08580	14.9
168.09377	13.0
169.10117	36.0
170.10948	19.6
171.08051	24.0
171.11699	54.8
172.08858	12.2
173.09619	68.3
173.13280	17.4
174.10271	6.1
175.07574	25.9
175.11206	28.3
177.09158	38.7
179.08568	18.4
179.10735	6.2
180.09346	7.6
181.06554	5.2
181.10161	33.5
182.10966	17.4
183.08098	15.1
183.11682	41.8
184.08821	8.2
184.12410	5.8
185.09625	41.6
185.13286	27.5
186.10448	12.6
187.07626	8.1
187.11166	38.3
187.14876	9.1
189.09062	38.6
189.12773	21.5
191.10622	6.0
193.10149	22.6
194.10936	11.3
195.08186	4.7
195.10165	8.0
195.11743	30.9
196.08852	5.1
196.12433	9.5
197.09659	25.0
197.13222	32.0
198.10429	9.4
199.07547	7.6
199.11192	44.1
199.12903	5.7
199.14827	29.4
200.11833	8.3
201.09215	8.4
201.12749	23.8
201.16414	6.6
202.07788	4.5
203.10672	11.0
203.14316	5.4
205.10150	9.0
206.11021	8.7
207.11603	23.5
208.08794	7.7
208.12549	6.8
209.09622	14.3
209.13286	20.5
210.10347	7.8
210.14119	4.9
211.11339	24.6
211.14836	25.4
212.11914	7.2
213.09213	9.8
213.12827	27.8
213.16393	43.1
214.13542	5.6
215.10716	13.0
215.14278	15.2
217.10310	7.8
217.15938	5.1
218.10948	7.4
219.11726	13.4
220.12445	8.3
221.09689	7.9
221.13298	20.3
223.11206	24.5
223.14778	21.7
224.11955	9.5
224.15573	4.5
225.09210	6.0
225.12735	41.6
225.16351	8.5
226.09825	5.6
227.07051	5.5
227.10654	12.6
227.14314	26.0
229.10078	5.4
229.12315	10.0
229.15875	7.8
231.11732	8.5
232.12410	6.9
233.13396	10.6
234.14049	7.8
235.11177	9.8
235.14929	14.4
236.11986	8.4
237.12781	12.1
237.16374	11.5
238.13290	8.2
239.14236	22.1
239.17921	10.6
240.11633	6.7
241.12221	18.3
241.15874	35.4
243.13820	34.7
243.17465	9.5
245.13321	7.0
247.11263	6.9
247.14815	10.8
249.12750	13.4
249.16388	10.6
251.14409	20.4
251.18016	6.7
252.15176	6.4
253.04953	6.6
253.15857	12.3
253.19405	5.2
255.13841	19.4
255.17393	13.1
257.15457	10.7
257.18967	8.6
261.16360	8.5
263.14325	14.4
263.18073	6.7
265.15952	12.4
266.05878	6.4
267.06580	7.7
267.13983	4.6
267.17453	14.8
269.15414	14.8
269.18851	10.2
275.14282	4.8
275.20242	8.2
277.15887	18.9
278.16403	4.6
279.13998	11.9
279.17484	17.4
281.08029	9.3
281.15375	19.2
281.18805	11.4
283.06076	10.3
283.17111	10.6
283.20374	9.0
284.17786	10.4
285.18634	5.6
287.13803	4.9
289.16080	7.4
291.06821	6.6
291.17471	15.0
292.07410	5.2
293.08084	10.5
293.15424	24.7
293.18713	9.0
295.16940	14.8
297.18750	6.8
299.12756	5.3
303.17352	23.9
307.17029	9.9
309.07574	7.2
309.18613	9.6
311.09241	5.0
311.20050	11.1
313.07184	21.4
313.10452	7.5
315.08633	16.3
317.18964	5.5
319.16968	12.4
321.18558	16.2
323.09021	5.7
327.08612	14.0
328.09268	9.2
337.17932	9.0
337.21753	9.0
339.08728	10.4
341.10443	6.8
349.23782	21.0
353.10193	10.0
359.19989	5.7
359.23654	29.9
363.23196	15.2
369.09637	6.0
371.11362	12.5
377.24826	38.5
379.26486	5.8
381.09671	16.4
381.24393	9.9
387.23254	41.9
399.10565	24.0
405.24188	100.0
406.24384	11.3
411.14343	10.6
412.15125	12.1
415.22382	7.1
423.25284	12.1
429.24237	6.9
431.25812	6.1
435.25223	5.1
447.25107	8.1
449.27048	7.7
451.24542	6.2
457.23831	6.5
475.24625	19.0
477.26474	12.2
483.16150	5.8
493.26126	24.8
511.26956	41.9
529.27985	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	22.9
60.01099	17.1
67.05500	48.5
69.07040	23.7
69.29874	100.0
69.30287	29.3
79.05508	23.8
81.03439	16.2
81.07040	39.9
83.04955	23.7
91.05479	40.1
93.07040	59.2
95.08617	87.3
105.07041	49.5
107.08607	45.0
109.06521	19.7
111.08065	28.5
119.08557	49.0
121.06494	29.7
123.08104	18.8
131.08595	22.9
133.10136	34.6
135.08058	23.4
143.08531	63.9
145.10121	45.6
147.08026	28.0
147.11621	20.4
155.08539	30.7
157.10193	33.0
159.08011	19.5
159.11693	17.5
161.09668	28.1
169.10104	18.7
171.08041	19.8
171.11845	16.6
179.08543	16.3
180.09328	20.0
181.10097	18.9
192.09241	21.6
193.10178	27.5
195.11630	27.2
196.12440	21.5
197.13246	23.7
205.10062	21.6
207.11810	44.7
209.13148	27.0
211.11209	43.7
219.11723	22.6
221.13078	19.9
223.11256	19.3
225.12772	32.5
233.13358	22.1
237.12787	26.3
247.14908	20.7
249.12959	16.4
251.14417	16.1
253.12141	20.0
265.15820	28.8
345.20435	32.9
402.25211	29.4
429.24512	42.9
444.26569	37.7
447.25330	94.2
457.23962	24.9
458.23950	30.6
462.27341	62.1
465.26205	46.5
475.24799	73.8
476.25009	31.5
477.26190	21.8
493.25735	53.2
494.25809	20.5
501.28342	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.5
55.05509	12.5
58.70524	3.2
59.05009	7.6
60.99956	3.5
67.05508	21.0
69.03433	4.6
69.07084	7.1
79.05479	19.6
80.95296	3.0
81.07055	25.0
83.04981	13.6
87.04448	7.9
91.05483	20.1
93.07029	30.6
95.04989	8.7
95.08611	47.9
97.06532	4.6
105.07032	24.7
107.08627	17.9
109.06503	4.9
109.10175	10.2
111.04457	6.9
111.08105	10.6
115.60193	2.9
117.07048	7.8
119.08571	23.8
121.06507	8.2
121.10181	12.1
123.08077	14.3
123.11724	4.7
124.08464	3.7
125.09628	4.7
128.06238	11.0
129.07011	5.3
131.08582	14.8
133.10150	14.7
135.11606	4.1
137.11330	3.4
141.07028	4.8
141.09029	3.8
142.07773	6.8
143.08553	26.1
145.10120	23.3
147.08034	6.4
147.11710	13.9
149.09602	5.7
154.07787	5.4
155.08572	16.7
156.09372	6.4
157.06444	3.2
157.10101	26.5
159.08083	5.3
159.11691	19.4
161.09685	15.1
163.11284	3.9
164.94031	3.3
165.07037	8.6
166.07854	3.6
167.08575	8.6
169.10132	20.2
170.10918	7.7
171.08113	10.3
171.11681	18.7
173.09613	8.6
173.13235	6.4
175.11200	4.7
179.08597	13.5
180.09375	10.8
181.10063	19.1
183.08107	6.4
183.11707	16.7
185.09671	7.3
185.13309	11.6
187.11125	4.2
189.12755	7.3
192.09404	6.0
193.08513	3.5
193.10124	16.2
194.10912	9.7
195.11748	23.5
196.12425	7.1
197.09621	6.9
197.13301	11.4
199.14848	4.9
201.12741	6.7
205.10147	6.4
206.10985	7.9
207.11655	17.8
208.12445	4.6
209.09695	5.9
209.13229	26.7
211.11198	9.2
211.14868	9.3
213.12723	5.8
219.11694	6.3
220.12520	3.3
221.13229	9.4
223.11177	10.5
223.14880	14.3
225.12740	6.2
225.16435	6.4
229.12251	6.0
233.13232	9.5
234.14015	6.5
235.11301	6.0
235.14771	9.8
237.12740	11.3
237.16418	4.1
239.10715	7.7
239.14359	4.8
241.12198	6.3
243.21460	3.3
246.13997	3.2
247.14839	6.1
249.16391	13.6
251.14413	5.1
251.17972	4.6
253.12263	7.0
253.19162	3.9
255.13828	6.4
259.14951	4.2
261.12860	4.2
262.13290	5.3
263.14417	4.8
263.18015	4.4
265.15863	6.1
267.17480	5.3
269.15369	9.9
275.17935	5.5
277.15900	17.6
279.17450	5.0
293.15482	4.5
295.17020	38.3
297.18628	5.6
309.18552	5.6
313.18015	9.8
321.18396	20.5
325.98239	3.7
335.19965	4.2
339.19547	8.6
341.41995	3.8
349.21671	8.8
353.21289	3.3
357.08652	3.6
371.23727	6.3
377.21005	8.5
389.24747	13.5
391.22369	22.4
395.21982	9.6
399.23007	15.6
407.25839	14.3
409.23761	14.5
415.84558	4.5
417.24258	63.7
418.24426	8.0
435.25360	100.0
436.25528	9.5
453.26419	39.3
454.26697	5.1
529.39032	8.8
529.50317	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01863	2.8
55.05501	10.7
56.68225	1.8
59.04999	6.7
67.05500	24.5
69.03426	4.7
69.07066	6.1
69.16360	4.0
69.16774	10.6
79.05484	13.7
81.07044	15.7
83.04986	10.2
83.08606	3.1
91.05495	18.5
93.07036	24.9
95.04973	6.9
95.08604	45.8
97.06544	5.0
103.05473	5.5
105.07032	25.0
107.08578	19.1
109.06517	5.0
109.10158	13.1
111.04456	7.3
111.08095	6.8
111.09986	2.2
115.05442	4.1
115.96612	2.3
117.07030	8.1
119.08576	24.6
120.85305	1.9
121.06504	5.4
121.10164	10.5
123.08070	15.0
125.06004	2.5
125.09671	4.2
126.29505	2.1
128.06236	7.6
129.07022	8.7
131.08542	17.9
133.06514	3.6
133.10112	12.9
135.08115	4.9
135.11717	2.6
137.09589	2.7
139.07501	3.4
141.07021	7.4
142.07776	9.0
143.08560	30.0
144.09332	3.0
145.06541	4.3
145.10144	27.1
147.08008	5.9
147.11702	7.4
153.07018	5.2
154.07813	4.4
155.08556	20.1
156.09334	7.9
157.10107	28.6
158.10625	2.3
159.08084	5.6
159.11702	21.9
161.09599	14.7
161.13252	3.5
162.35083	2.3
162.91393	2.3
163.11224	2.7
165.07030	11.5
166.07791	4.6
167.08578	9.2
168.09364	6.0
169.10107	18.0
170.10912	6.3
171.08023	13.6
171.11668	23.9
173.09671	5.4
173.13243	4.9
175.07556	2.3
175.11195	8.1
177.09138	2.8
178.07808	3.5
179.08530	11.7
180.09384	6.9
181.10132	15.0
182.07181	2.3
182.10939	5.1
183.08073	2.9
183.11703	20.7
184.12479	2.6
185.09642	4.2
185.13286	12.4
187.11172	5.1
187.14705	2.7
189.09148	4.3
189.12753	6.8
192.09363	7.6
193.10103	19.9
194.10909	10.5
195.08049	4.0
195.11697	31.9
196.12396	4.7
197.09644	6.1
197.13240	15.5
199.07619	4.6
199.11180	6.0
199.14842	3.9
201.09206	2.4
201.12788	5.0
203.14229	2.1
204.09178	2.2
205.10158	8.4
206.10982	5.7
207.11659	23.4
208.12469	7.7
209.09656	6.7
209.13234	26.6
210.13887	4.4
211.11215	14.5
211.14845	7.7
212.11908	3.2
213.09171	3.7
213.12796	5.1
218.10721	2.4
219.11681	8.6
220.12445	6.1
221.09642	6.6
221.13258	9.0
222.10294	2.4
222.14041	4.4
223.11247	10.5
223.14778	18.9
224.15205	3.1
225.09178	3.4
225.12807	7.1
225.16385	7.6
227.10692	3.9
227.14285	4.4
229.12222	7.4
231.11737	5.3
231.13914	2.6
232.12431	3.0
233.13260	6.8
234.13992	8.0
235.11182	6.8
235.14764	14.0
236.11798	2.7
236.15500	3.2
237.12717	12.1
237.16385	6.2
239.10699	5.7
239.14316	6.8
239.17856	2.6
241.12308	9.0
243.14000	2.5
246.14052	3.1
247.11119	4.4
247.14819	7.4
249.12775	10.0
249.16386	15.1
250.17061	3.5
251.14340	8.2
251.17937	9.5
252.18243	2.5
253.12314	4.0
253.15895	2.7
255.13867	5.8
257.15353	4.6
259.14963	5.0
260.15582	2.8
261.12686	5.7
261.16357	4.1
262.13330	2.7
263.14297	6.2
263.17978	4.3
265.11877	2.7
265.15912	6.9
265.19427	2.4
267.13773	4.0
267.17636	5.3
269.15427	9.4
273.16611	2.9
275.14288	4.6
277.15887	12.9
277.19022	2.3
279.13788	4.2
279.17441	4.8
281.15408	3.7
283.17026	2.9
289.15906	3.7
291.17328	3.7
293.15298	6.6
293.18826	4.6
295.16931	34.4
296.17343	3.3
297.18442	5.2
303.17465	8.0
307.17169	2.5
309.18677	5.1
311.16687	2.7
313.17960	8.3
321.18472	18.5
325.21591	4.1
335.20233	4.5
336.20993	3.3
339.19534	9.8
349.21710	11.7
359.19855	3.8
361.17838	3.1
363.23346	3.1
371.23691	2.6
373.21622	2.9
377.21075	12.3
389.24786	14.0
390.25449	3.0
391.22513	24.1
392.22757	2.5
395.22229	8.2
399.23291	15.7
407.25977	11.2
409.23618	15.1
417.24216	72.0
418.24612	10.4
435.25299	100.0
436.25720	9.2
453.26331	41.1
454.27066	4.9
477.26755	5.0
511.27029	2.4
529.34442	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22681	0.7
53.03950	2.3
55.01864	1.1
55.05267	0.9
55.05513	12.7
57.03434	1.9
57.07080	1.5
59.05013	7.1
65.03931	1.3
67.05505	23.8
69.03439	4.7
69.07066	6.6
71.05011	1.3
71.31390	0.8
75.05373	0.6
79.05059	1.0
79.05492	12.7
81.07056	17.2
83.04977	15.7
83.08615	2.7
85.06551	1.1
85.76663	0.7
91.04902	0.7
91.05480	19.2
93.07047	28.3
95.04987	8.2
95.08608	49.1
96.08925	0.9
97.06534	4.2
97.10165	1.3
99.04478	2.0
100.47631	0.7
103.05484	2.0
104.10749	1.8
105.04537	0.8
105.07032	26.6
107.04945	1.8
107.08597	17.9
107.09284	1.4
109.06518	5.9
109.10165	9.6
111.04428	6.4
111.08081	9.5
113.05975	1.5
115.05462	3.1
117.07021	9.7
119.05006	1.2
119.08585	26.2
119.09442	1.3
120.08903	0.7
121.06528	7.3
121.10132	8.5
123.08075	20.3
123.11703	1.3
125.06005	1.4
125.09647	2.3
127.07571	1.5
128.06209	10.3
129.07007	11.8
130.07826	3.8
131.04973	0.8
131.08568	17.1
131.31940	0.7
133.06464	3.9
133.10130	14.8
135.04445	0.9
135.08060	6.3
135.11687	5.6
137.05962	2.2
137.09612	2.8
139.07529	4.4
141.06987	7.5
141.09126	4.1
142.07784	10.3
143.08575	33.9
144.09387	4.0
145.06487	4.0
145.10120	23.7
146.07228	1.1
147.08055	7.5
147.11696	6.9
149.05997	1.3
149.09641	3.6
149.13258	1.5
151.07529	1.5
152.06313	0.8
153.06996	4.8
154.07828	3.9
155.08551	20.3
156.09375	9.5
157.06543	2.0
157.10124	29.1
158.07259	1.6
158.10759	2.3
159.08086	6.9
159.11700	22.5
160.08757	1.5
161.09628	15.0
161.13223	4.0
163.07556	3.0
163.11189	3.7
165.07001	10.4
166.07796	5.4
167.08566	14.6
168.09355	6.8
169.06442	2.0
169.10126	25.4
170.10912	8.1
171.08060	12.8
171.11691	23.1
172.08817	1.0
172.12379	1.3
173.05971	0.8
173.09621	7.1
173.13257	6.8
174.10414	1.5
175.07504	1.4
175.11197	6.3
175.14793	0.9
177.09129	1.0
177.12775	1.7
178.07744	3.8
179.06978	1.3
179.08551	15.0
179.10733	1.5
180.09351	10.3
181.06560	1.1
181.10117	24.5
182.07390	1.0
182.10834	6.3
183.08134	4.8
183.11688	22.0
184.08827	1.0
184.12390	3.4
185.09644	5.8
185.13257	13.7
186.10356	1.1
186.13634	0.9
187.07579	1.9
187.11188	7.4
187.14801	2.3
189.09143	2.8
189.12761	7.5
190.07616	1.0
191.08580	2.2
191.10666	1.1
192.09329	6.9
193.10139	20.9
193.11945	1.4
194.10905	12.1
195.08072	4.1
195.11694	28.5
196.08849	2.3
196.12477	5.0
197.09625	7.7
197.13264	17.8
198.10332	1.1
198.13940	1.9
199.07541	2.9
199.11168	6.9
199.14771	5.4
201.09149	3.0
201.12752	7.6
203.08633	1.5
203.10649	1.2
203.14331	1.6
204.09349	1.9
205.08551	0.8
205.10146	5.3
205.12186	1.7
206.10931	7.3
207.08112	1.5
207.11713	23.8
207.13658	0.8
208.08813	1.7
208.12463	9.1
209.09831	5.7
209.13254	32.9
210.10339	2.4
210.13979	4.0
211.11214	12.1
211.14807	10.2
212.11876	1.6
213.09163	3.0
213.12692	7.7
213.16402	2.2
215.08670	1.4
215.10661	3.2
215.14349	1.7
216.09375	0.8
217.10103	2.8
217.12123	1.5
218.10880	3.8
219.08191	1.1
219.11711	8.3
219.13751	1.1
220.12445	6.0
221.09737	5.3
221.13231	16.2
222.10431	2.4
222.13980	5.2
223.11241	14.3
223.14780	20.6
223.16888	1.4
224.08270	1.3
224.11853	2.4
224.15500	2.1
225.09143	1.9
225.12767	7.2
225.16391	7.7
226.09766	1.0
226.13564	1.1
227.10670	4.1
227.14284	6.3
228.14993	0.9
229.10220	1.3
229.12221	6.4
229.15825	1.2
230.10852	1.8
231.11711	4.5
231.13826	1.4
232.12427	4.1
233.09608	1.5
233.13239	11.1
233.15337	1.3
234.10318	1.4
234.14044	6.9
235.11221	7.9
235.14813	12.8
236.11850	2.3
236.15509	2.1
237.12764	12.4
237.16368	7.2
238.13463	1.6
238.16995	1.0
239.10698	8.7
239.14267	6.9
239.17947	2.5
240.11612	1.0
241.12233	9.4
241.15854	1.1
243.11734	1.5
243.13853	1.9
244.12506	2.3
245.09572	0.8
245.13263	3.1
245.15369	1.6
246.14096	3.2
247.09007	0.7
247.11194	2.7
247.14938	8.0
248.12018	2.5
248.15605	3.0
249.12784	6.5
249.16403	16.0
249.18788	1.3
250.13548	1.6
250.17094	2.7
251.10855	1.8
251.14331	8.2
251.17973	10.2
252.11443	1.0
252.14873	1.3
252.18515	1.1
253.12251	7.6
253.15808	3.9
253.19623	1.4
255.13777	10.2
255.16698	0.8
255.17520	0.8
256.14343	1.1
257.13150	1.4
257.15405	4.1
258.14096	1.6
259.15021	5.3
260.12054	2.1
260.15594	2.8
261.12747	4.3
261.16272	3.9
262.13605	2.8
262.16916	1.2
263.14374	7.6
263.17535	3.9
264.14969	1.7
264.18735	1.3
265.12277	2.2
265.15912	10.7
265.19302	1.5
266.16641	1.9
267.14059	5.0
267.17352	6.5
268.14258	1.0
269.15427	11.2
269.18481	1.2
271.17157	1.7
272.15521	1.1
273.12729	1.7
273.16354	2.3
274.13437	1.3
274.16904	1.0
275.14362	5.0
275.17758	4.5
276.15027	2.8
276.18381	0.9
277.12521	1.7
277.15869	18.6
277.19443	2.6
278.16553	3.0
279.13858	4.2
279.17480	6.7
280.14606	1.0
280.17914	0.8
281.12766	0.8
281.15405	5.5
281.18579	1.3
283.16977	2.5
285.18735	1.6
287.14429	1.0
287.17709	1.2
289.12762	0.8
289.15875	3.5
289.19180	1.2
290.20233	1.2
291.14261	1.4
291.17480	4.6
291.20819	1.6
292.17999	1.6
293.15347	8.8
293.18964	2.5
293.22232	0.8
294.16016	2.0
295.16937	39.7
296.17343	4.1
297.18542	6.5
299.14539	0.9
301.15857	2.6
301.19186	1.3
303.14117	0.9
303.17444	8.1
303.20764	1.3
305.15271	1.6
305.18982	2.0
307.13556	0.9
307.16949	3.5
307.20544	2.3
308.17401	0.8
308.21252	0.8
309.18417	3.7
309.21768	0.9
311.16510	2.5
311.20132	1.9
313.17944	11.8
315.20026	1.1
317.19116	1.7
318.19833	2.3
319.16989	2.3
319.20490	1.2
321.14948	1.0
321.18491	18.8
322.19009	1.5
323.20157	3.0
325.18164	1.7
325.21567	2.1
329.15433	1.1
329.19040	1.8
331.16879	1.2
331.20554	2.3
333.18390	2.8
333.22147	1.2
334.19235	0.9
335.19867	3.2
336.20749	3.8
337.17746	1.4
339.19608	9.9
340.19894	0.9
343.24271	0.9
345.22101	1.1
347.16489	0.9
347.20187	1.3
347.23904	1.0
349.17661	1.2
349.21622	11.1
350.21939	1.0
353.21280	2.2
354.21994	0.8
359.19983	3.7
361.17941	2.0
361.21539	2.0
361.25385	1.8
363.23181	4.0
365.24753	2.3
371.19458	1.1
371.23724	6.1
373.21570	4.6
373.25580	1.8
375.19272	1.5
375.23508	1.4
377.21124	9.2
379.18771	1.6
379.26483	1.5
381.22186	1.4
387.23218	0.8
389.20651	1.2
389.24811	18.8
390.25073	2.3
391.22488	23.4
391.26450	3.0
392.23071	2.4
393.23999	0.9
395.22165	11.5
396.22583	1.1
397.74905	0.8
399.23178	19.1
400.23557	1.3
407.25836	16.0
408.26279	2.1
409.23645	16.4
410.24142	1.8
417.24246	76.9
418.24570	8.2
425.26410	0.8
435.25314	100.0
436.25644	10.6
447.25534	0.8
453.26395	42.4
454.26938	5.0
465.26480	1.8
483.27429	1.4
511.26727	1.9
529.27917	1.9
529.35089	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2801
Annotation	fijianolide D
Peak:m/z	Relative Intensity
50.32636	8.7
53.03936	11.5
55.01875	9.9
55.05507	33.5
57.07060	9.8
67.05505	34.7
67.09274	8.2
69.03434	15.0
69.07049	16.2
71.30644	15.4
79.05482	48.7
81.07047	58.8
83.04982	49.1
85.06536	51.9
91.05481	75.1
91.17090	8.7
92.10332	9.8
93.07059	64.3
95.04981	10.4
95.08606	63.2
95.46226	8.3
97.06509	8.1
105.07037	59.5
107.08616	53.4
107.09251	12.1
109.02906	8.8
109.06527	36.9
109.10148	12.9
110.21096	8.7
111.04449	26.0
111.08086	16.1
113.05988	10.4
115.05474	19.8
117.07005	16.4
119.08587	100.0
121.06496	17.5
121.10147	39.6
123.08104	18.5
125.09570	9.5
127.07508	11.1
128.06227	30.9
129.06989	27.1
131.08569	43.7
133.10132	31.9
135.08057	32.6
137.05980	31.5
139.07600	9.4
141.06963	18.9
142.07797	19.9
143.08582	38.2
145.06531	13.3
145.10155	43.8
147.08080	16.1
147.11659	20.8
149.09645	19.4
153.07004	9.5
155.08551	26.9
156.09296	10.8
157.02711	8.1
157.10147	39.2
159.08070	34.2
159.11713	38.2
160.12407	13.1
161.09657	26.9
163.54475	8.4
167.08684	10.0
169.06497	23.8
169.10141	18.6
171.08063	18.9
171.11705	24.7
172.08795	12.3
173.09570	19.7
173.13303	11.1
175.11182	11.7
179.08553	8.9
181.10121	11.9
183.11708	21.4
185.09563	10.2
185.13321	20.8
187.07649	13.1
187.09668	27.4
187.11195	13.6
194.49644	9.7
195.11682	12.9
197.06094	14.3
197.09613	11.0
199.07545	11.3
207.11705	10.3
211.14642	8.4
215.06921	52.1
233.07916	17.9
259.16867	18.9
295.16882	9.5
304.64944	9.6
312.09821	53.9
313.10706	11.1
315.08646	35.4
319.16754	10.0
343.12012	50.2
397.23474	23.9
399.14227	21.6
427.17416	32.9
511.26639	10.4
529.34875	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2801
Annotation	fijianolide D
Peak:m/z	Relative Intensity
51.02394	2.9
53.03953	11.0
55.01880	12.0
55.05512	38.1
57.03437	7.0
57.07069	3.6
61.11120	2.9
64.29504	3.5
65.03946	10.4
67.05505	74.1
69.03421	13.5
69.07072	16.1
73.57852	2.6
77.04021	2.5
79.05486	35.9
81.03433	14.4
81.07059	40.5
82.23591	3.5
83.04984	74.5
83.05461	5.8
91.05480	66.0
91.06005	4.9
93.07044	94.2
93.07629	5.1
95.01300	3.9
95.04964	26.6
95.08611	77.8
97.02935	4.4
97.06557	10.3
98.23429	6.7
99.04450	2.7
103.05479	6.0
105.03413	4.7
105.04561	4.1
105.07034	84.8
107.04964	10.5
107.08598	38.4
109.02886	4.3
109.06504	40.6
109.10156	70.1
111.04442	54.5
111.08085	49.8
115.05445	19.0
116.06260	4.9
117.07040	24.3
119.08582	100.0
121.06506	22.3
121.10156	15.1
123.00811	7.2
123.08057	26.3
125.06015	4.1
128.06213	21.7
129.06985	29.2
130.07758	9.6
131.08566	55.8
133.06500	47.0
133.10126	64.6
135.08047	27.6
135.11723	5.6
137.05968	18.9
137.09552	3.5
139.07555	32.9
141.07018	23.0
142.07788	25.0
143.08557	71.4
144.09378	7.2
145.06505	12.5
145.10127	55.2
146.07289	3.3
147.08049	31.2
147.11687	38.4
149.05933	3.5
149.09602	14.6
151.03999	3.8
151.07541	23.0
152.06175	4.7
153.07014	9.7
154.07782	13.4
155.03442	3.7
155.07295	5.0
155.08557	43.8
156.09332	24.6
157.06580	5.3
157.10127	65.8
158.10843	8.3
159.08032	22.0
159.11664	29.4
161.06003	7.0
161.09641	25.7
163.07542	3.0
165.06972	18.4
165.48781	2.8
166.07793	10.6
167.08559	27.1
168.09326	16.8
169.06482	3.9
169.10107	47.2
170.07275	4.1
170.10863	12.0
171.08026	15.0
171.11693	47.7
172.12466	3.7
173.09628	25.6
173.13278	7.0
175.07588	7.5
175.11221	13.1
177.09151	6.8
178.07802	8.7
179.07039	7.2
179.08585	25.0
180.09354	13.3
181.06512	3.4
181.10118	38.1
182.10904	17.3
183.08133	4.7
183.11703	44.2
184.12462	9.1
185.09648	20.4
185.13255	14.2
187.11188	17.7
187.14993	3.6
189.09148	4.0
189.12854	6.1
190.07893	3.5
191.08574	8.3
191.10626	5.7
192.09349	12.6
193.08611	43.6
193.10197	31.6
194.10889	12.7
195.08026	7.1
195.11716	39.8
196.08798	5.9
196.12465	11.4
197.09605	15.7
197.13237	25.9
198.13969	5.5
199.11191	17.8
199.14832	13.2
201.09044	5.8
201.12761	10.2
203.08536	8.4
203.10587	5.5
204.09357	6.2
205.10159	16.5
205.12007	3.1
206.10825	18.6
207.08159	3.5
207.11681	35.3
208.08781	3.5
208.12473	15.3
209.09651	18.4
209.13196	31.0
210.10352	9.5
210.13930	6.9
211.11229	16.4
211.14850	25.2
213.09247	3.1
213.12660	7.7
213.16385	6.0
215.08611	3.9
215.10663	6.1
215.14377	3.7
216.09296	6.5
217.10168	10.8
217.12137	2.9
218.10910	5.9
219.08167	4.3
219.09885	4.6
219.11838	17.7
220.12479	12.9
221.09642	7.6
221.13239	24.4
222.10393	5.7
222.13992	5.9
223.11223	12.6
223.14812	14.1
224.11937	4.2
225.09096	7.4
225.12767	15.0
225.16428	9.0
227.10722	6.9
227.14297	13.7
227.17810	3.4
229.10190	5.3
229.12254	3.8
230.10916	8.6
231.11658	10.9
231.13792	4.3
232.12366	10.1
233.09787	7.6
233.13167	18.7
234.13861	6.0
235.11194	9.7
235.14792	17.1
236.11870	7.1
236.15379	3.6
237.09248	3.4
237.12805	15.9
237.16388	8.2
239.10666	4.7
239.14307	21.3
239.18034	6.6
242.10818	3.7
243.11772	6.4
243.13988	3.9
244.12520	10.1
245.13264	10.7
245.15398	3.5
246.10324	3.2
246.13943	4.8
246.75906	3.0
247.11229	11.0
247.14845	17.0
248.12006	6.5
248.15527	4.8
249.09027	3.7
249.12846	10.0
249.16359	9.5
251.10718	6.8
251.14278	11.7
251.17967	5.3
253.12405	3.9
253.15662	3.2
255.13922	7.3
256.12393	5.7
257.13165	4.5
257.15533	14.2
258.14078	6.1
259.11230	3.8
259.14813	12.8
260.11743	4.9
260.15564	3.6
261.12756	8.5
261.16443	8.8
262.13437	3.1
263.14322	12.0
263.17902	7.6
264.14905	3.4
265.12527	6.1
265.15912	10.1
267.13992	4.7
269.15607	4.5
271.14853	6.7
273.12717	6.4
273.16376	6.8
275.14340	9.2
275.17465	3.0
277.12430	4.5
277.15945	9.4
277.19662	6.6
279.13797	5.3
279.17465	6.1
281.15546	7.0
287.14450	4.9
287.17923	5.4
289.15958	5.5
289.19699	3.7
291.14078	4.9
291.17554	8.4
293.15619	7.1
293.19089	4.4
295.16974	6.4
297.15689	2.9
299.16830	6.2
301.15741	4.7
303.13837	4.0
303.17319	4.3
305.15405	5.0
309.22098	4.1
311.14008	3.0
315.13950	5.6
315.17593	7.7
317.15530	6.0
317.19046	7.1
319.16919	8.3
319.20587	5.8
321.18564	4.0
335.16510	4.1
337.21814	5.3
343.16974	5.2
375.16031	3.5
377.24310	3.8
393.16833	3.5
405.24265	13.5
411.23422	5.2
415.22665	6.1
429.24585	6.2
431.26111	4.1
433.23730	5.9
447.25256	5.7
457.23575	8.6
459.25180	7.4
475.24747	18.0
477.26340	8.7
493.25455	6.8
529.27539	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2798
Annotation	fijianolide D
Peak:m/z	Relative Intensity
50.95130	1.5
53.03944	2.0
57.03420	2.1
61.45996	1.4
67.05493	4.7
69.03433	9.9
69.07082	1.6
69.08318	14.3
77.30803	1.6
79.05489	16.8
81.03419	4.9
81.07055	92.2
83.04977	3.1
91.05478	9.2
93.07041	6.2
95.04952	5.3
95.08605	6.4
105.07025	7.3
106.33183	1.4
107.08602	3.4
109.06526	24.7
111.04475	2.6
115.41410	1.6
117.07011	4.9
119.04947	1.6
119.08588	7.3
121.06557	2.8
123.08051	2.7
127.85555	1.6
129.06964	2.4
131.08551	5.3
133.06485	2.9
133.10124	4.5
135.08041	3.2
137.02339	2.3
137.05975	100.0
138.06358	3.9
139.07504	2.5
139.45476	1.8
141.06992	2.2
142.07794	1.9
143.08580	6.4
145.06474	2.9
145.10146	7.8
147.07985	3.0
147.11656	3.0
151.07552	2.5
155.08556	7.2
156.09410	1.7
157.10130	3.4
159.08072	3.8
159.11676	1.7
161.09595	4.8
169.06534	1.7
169.10121	5.3
171.08086	4.4
171.11685	4.5
173.09628	7.8
174.10281	1.9
175.11217	5.3
181.10071	3.2
183.11708	3.0
185.09645	3.4
187.07625	1.9
187.11147	3.8
189.09135	2.6
189.12698	1.7
190.13503	4.3
193.10233	1.7
195.07884	2.2
195.11630	2.1
197.13252	2.7
199.11176	2.2
201.12711	2.3
201.16318	2.4
203.10698	2.5
207.11714	2.8
209.09523	2.0
209.13416	2.1
213.08961	1.8
213.12712	4.9
214.13487	2.1
215.10724	2.8
216.11481	1.7
221.13210	2.2
225.12798	3.3
227.10612	2.0
227.14229	2.2
231.10107	5.6
232.12534	2.2
233.11766	4.6
237.12796	2.7
239.14236	2.5
251.14340	2.0
258.24347	1.9
285.14847	2.6
305.15320	1.6
313.18124	3.3
315.16003	6.4
330.18039	2.7
337.14090	1.7
337.17969	3.4
355.19058	2.3
356.15744	1.9
357.16971	8.6
375.18033	2.5
393.20691	9.0
405.20663	5.9
421.24057	2.9
423.21567	2.3
433.19888	3.9
447.21405	2.7
449.23007	2.5
451.21008	19.1
457.23633	1.9
465.22870	3.9
467.24265	4.7
475.20691	3.0
483.24265	2.2
493.22000	10.6
511.22778	2.9
511.42487	1.7
559.21655	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46795	5.2
55.01862	7.3
55.05508	20.1
57.07084	5.5
63.42000	4.5
65.03932	5.7
67.05507	34.7
69.03421	10.3
69.07080	9.2
69.19592	25.4
69.20009	13.2
78.41461	4.7
79.05490	26.8
81.07077	28.9
83.04979	35.9
83.98395	5.4
91.05473	46.6
92.05793	5.6
93.07052	48.5
95.04957	23.1
95.08601	56.8
97.06499	8.0
101.18362	4.6
105.07030	49.4
107.08571	30.2
109.02879	8.6
109.06528	14.4
109.10165	7.9
111.04443	22.3
111.08072	20.7
113.06070	5.8
115.05428	7.5
117.07034	23.3
119.08582	75.9
121.06470	14.6
121.10155	22.1
123.08071	18.7
128.06241	11.0
129.07001	15.8
131.08562	33.4
133.06465	11.7
133.10117	36.1
135.08052	19.1
135.11629	6.2
136.90004	5.7
137.05974	6.8
139.07504	14.0
140.78989	5.8
141.06955	14.6
142.07779	14.4
143.08553	36.2
144.09422	5.9
145.06461	8.7
145.10138	37.4
147.08099	28.3
147.11703	24.5
149.05856	7.0
149.09595	10.9
155.08606	32.9
156.09383	13.0
157.10132	48.2
158.10822	7.0
159.08037	17.1
159.11620	27.5
161.09618	21.5
163.11162	8.6
165.06967	7.4
167.08601	16.4
168.09462	5.8
169.10168	29.5
170.10954	10.7
171.08072	19.2
171.11702	23.5
173.09656	19.9
173.13284	11.5
175.11168	16.7
179.08473	7.2
180.09334	8.0
181.10124	15.4
183.08034	10.1
183.11745	25.5
185.04019	6.3
185.09639	17.3
185.13235	17.2
187.07585	8.3
187.11182	30.5
189.09094	9.4
189.12769	9.0
191.07036	9.8
192.09309	8.8
193.10141	12.3
194.10875	7.7
195.11751	26.6
197.09669	11.4
197.13252	21.4
199.11140	20.2
199.14781	7.6
201.12775	11.0
203.10652	9.6
205.10242	6.4
206.10861	9.4
207.11736	13.4
209.09610	11.3
209.13229	19.6
210.10387	8.4
211.11205	17.7
211.14780	10.9
213.09103	7.3
213.12738	14.2
215.14514	7.1
219.11763	10.1
220.12430	6.4
221.09634	7.2
221.13252	18.7
223.11102	11.2
223.14804	14.3
225.12834	29.5
227.14430	14.0
231.09993	9.0
233.13304	11.2
235.11229	10.4
235.14731	8.5
237.12759	20.4
238.06413	5.5
239.14323	19.8
241.15900	5.6
245.13138	6.9
245.15598	8.5
247.14719	9.1
249.11162	7.4
251.14320	7.9
253.12236	5.9
255.13757	10.4
259.14597	5.6
261.16440	5.7
263.14401	12.9
263.17920	8.8
273.13092	5.7
273.16110	6.4
279.17487	9.8
281.18958	6.7
291.17398	11.3
291.21219	5.9
293.18823	5.5
295.17032	9.3
313.18091	11.5
316.47479	5.1
316.51599	5.7
321.18509	6.4
345.20554	6.3
401.24805	8.1
403.26477	8.4
413.24667	14.1
429.24353	17.6
431.25729	48.9
439.22629	11.5
447.25143	22.1
449.26895	17.3
457.23764	30.7
458.23904	8.9
459.25311	23.5
475.24774	100.0
476.24939	7.7
477.26172	32.4
493.25726	46.2
495.27112	18.2
511.26947	8.1
529.28174	7.7
529.35425	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	17.4
55.01862	28.6
55.05515	46.6
57.03434	15.1
60.35183	9.0
65.03926	11.5
67.05502	71.4
69.01423	44.2
69.01852	42.9
69.03419	35.9
69.07063	34.3
71.04986	12.6
79.05499	67.6
81.03416	28.9
81.07063	98.6
83.04983	63.4
83.08607	19.6
85.02895	25.2
85.06544	16.1
91.05476	88.0
93.07054	83.5
93.99433	7.7
95.04966	47.9
95.08603	87.8
96.39423	7.7
97.02892	18.2
97.06523	34.1
97.10214	9.8
101.45734	8.0
103.05499	14.5
105.07028	100.0
107.08607	57.8
109.02892	29.2
109.06500	42.9
109.10160	39.1
111.04439	34.4
111.08061	28.1
115.05483	11.8
117.07004	25.1
117.70950	8.7
119.08580	74.3
121.06500	49.0
121.10152	45.2
123.04461	14.3
123.08073	32.8
125.09634	11.5
127.03920	19.5
128.06229	19.6
129.06982	18.7
131.08595	42.4
133.06480	19.5
133.10127	56.0
135.04388	9.0
135.08066	34.5
135.11708	21.7
137.05977	49.1
139.03860	10.8
139.07509	19.1
141.06985	18.2
142.07782	18.0
143.08623	47.4
145.06467	16.3
145.10115	51.2
147.08055	45.2
147.11682	37.4
149.13216	12.3
151.07568	14.9
151.11232	9.7
153.05443	13.6
153.07059	10.3
155.07031	9.6
155.08533	26.0
156.09363	18.6
157.06416	10.0
157.10130	47.1
159.08099	52.8
159.11682	27.2
161.09622	41.8
163.07504	12.1
163.11140	13.0
165.05569	14.3
165.07002	18.7
167.08574	20.2
168.09227	10.2
169.10129	33.5
171.08090	30.9
171.11725	25.0
173.09586	30.8
173.13326	16.3
175.07492	17.0
175.11229	20.7
177.09143	22.9
179.08542	16.8
180.09198	11.2
181.10092	19.4
183.08058	12.8
183.11690	19.9
185.09627	25.4
185.13190	10.3
187.07570	17.9
187.11214	22.4
189.09145	18.6
191.10583	14.0
193.10144	21.8
193.12213	15.4
194.10873	11.1
195.11624	27.1
197.09634	25.8
197.13231	17.4
199.07561	16.8
199.11206	20.7
199.14828	24.0
201.09178	10.9
201.12868	16.1
203.10695	50.9
206.10992	12.3
207.11768	17.4
208.08749	9.7
209.09653	15.7
209.13313	18.6
211.07584	10.8
211.11118	28.1
211.13087	10.8
211.15137	10.5
213.12741	14.6
217.08435	10.2
217.15854	26.5
219.11761	13.1
221.09677	11.7
221.13243	23.6
223.11200	27.6
225.12753	23.3
227.14345	15.0
233.09711	10.3
235.11176	12.3
237.12740	19.1
239.10712	14.1
239.14360	18.4
241.12167	16.6
243.13774	20.9
251.14305	16.2
253.12392	15.6
255.13977	12.6
260.11990	9.9
261.12643	9.2
261.91437	9.9
263.14322	9.3
265.15942	10.3
277.15741	12.8
279.13828	12.7
285.16934	11.6
307.16812	13.2
309.14893	13.5
317.08423	54.6
411.23032	11.3
429.24628	19.5
431.26172	19.5
447.25201	31.2
457.24170	20.4
475.24393	59.3
476.25696	9.8
483.27356	15.3
493.25439	30.1
511.23218	14.7
511.26492	11.3
529.14642	48.9
529.21710	14.0
529.26978	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2801
Annotation	fijianolide D
Peak:m/z	Relative Intensity
50.33449	0.7
51.02377	0.8
51.75512	0.7
53.03942	1.8
55.01866	2.8
55.05507	7.3
57.03429	1.2
57.07071	1.3
57.90897	0.9
61.12458	0.9
65.03932	2.9
67.05504	9.9
69.03420	5.8
69.07068	3.9
69.34473	2.0
69.34875	4.1
71.04981	2.8
79.05493	14.1
81.03411	1.7
81.07052	17.3
83.01340	1.3
83.04980	14.4
83.08621	1.2
84.21630	0.8
85.02908	3.4
85.06551	1.5
91.05480	48.2
92.05811	1.1
93.07037	11.6
95.04963	11.7
95.08601	7.5
97.02888	16.9
97.06535	3.3
98.23355	0.8
99.04443	6.9
103.05452	3.0
104.06223	1.1
105.04498	0.8
105.07030	19.6
106.07376	0.9
107.04945	2.3
107.08589	29.3
109.02875	1.4
109.06520	8.9
109.10141	5.5
111.04440	14.8
111.08087	2.6
115.03909	1.0
115.05446	18.2
116.06283	0.9
117.07011	40.9
118.07326	1.1
119.04912	1.1
119.06091	1.1
119.08575	29.6
121.06479	5.3
121.10123	3.9
123.04444	0.8
123.08063	4.8
123.11732	1.1
125.06013	1.1
125.09624	9.0
127.03922	1.8
128.06232	3.6
129.06999	9.5
130.07722	1.6
131.04865	0.8
131.07663	1.4
131.08554	10.2
132.05728	1.7
133.05006	0.9
133.06499	2.4
133.10117	9.9
135.08040	19.5
135.11702	2.3
137.05989	8.9
137.09581	1.6
139.07570	1.4
141.07001	3.0
142.07762	4.3
143.08566	10.2
145.06477	100.0
145.10121	20.8
146.06795	2.8
147.08043	45.5
147.11685	2.4
148.08398	1.0
149.05962	2.8
149.09648	2.1
151.07565	1.6
153.06955	1.4
154.07718	1.8
155.06073	1.2
155.08556	10.4
156.09363	1.8
157.06456	1.1
157.10126	14.1
158.10541	2.8
159.08051	3.4
159.11693	6.4
161.09619	4.8
161.13303	1.2
163.07535	48.8
163.11206	1.7
164.07893	1.1
165.06989	1.3
165.09175	1.2
167.08601	4.0
168.09283	1.6
169.10112	9.4
171.08057	2.0
171.11705	5.3
173.05989	23.4
173.09650	3.8
173.13272	3.4
175.07487	1.1
175.11229	2.3
178.07716	1.1
179.08554	2.2
180.09348	1.3
181.10156	4.8
181.11574	0.8
182.10873	1.6
183.11661	9.4
185.09633	3.0
185.13130	3.8
187.11159	3.7
187.14844	1.2
189.09145	1.8
189.12817	1.3
191.07025	24.5
192.09413	1.7
193.10144	2.6
193.12172	1.1
194.10762	1.7
195.11688	4.2
196.12378	1.0
196.33521	0.9
197.09653	2.1
197.13217	4.1
199.11140	2.6
199.14819	9.7
200.15115	7.8
201.09254	1.0
201.12755	2.7
201.16405	8.6
205.12250	1.1
206.10896	0.9
207.11748	1.8
208.12277	0.9
209.06184	1.8
209.08075	21.7
209.13231	3.8
211.11162	2.5
211.14842	2.8
213.09181	1.1
213.12740	1.6
213.16319	1.1
217.10216	1.0
219.11726	1.3
221.09662	1.0
221.13277	2.0
223.11249	1.7
223.14838	2.5
225.12717	1.3
225.16388	12.3
227.09190	2.4
227.14340	3.1
229.15822	1.7
231.11713	1.0
233.13504	1.3
235.14772	2.2
237.16403	2.2
241.15878	1.2
243.17424	11.8
244.17665	1.4
247.14807	1.6
249.16513	1.3
251.14166	1.0
255.13733	0.9
259.14938	1.2
261.16119	1.0
261.18649	1.3
265.19470	1.2
275.14359	0.9
277.15948	1.3
295.16971	1.0
297.18567	1.3
323.19888	1.0
325.21512	2.3
335.20044	1.8
343.22601	1.8
353.21094	2.0
405.24124	1.2
415.22552	1.1
421.23755	1.7
423.24762	1.0
433.23648	4.0
439.24930	1.4
451.24911	13.3
452.25119	1.6
469.26132	5.0
511.26752	3.6
529.20355	0.9
529.27606	2.6
529.34454	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3524
Annotation	25-O-Acetyl-7,8-didehydrocimigenol
Peak:m/z	Relative Intensity
51.02385	1.9
53.03945	5.6
53.08598	2.0
55.01860	2.8
55.05515	21.8
57.07072	4.5
59.49010	2.0
62.33602	1.7
64.82028	1.7
65.03932	2.3
67.05506	43.7
69.07069	22.6
69.21705	3.2
69.22101	13.9
71.05006	3.2
79.05492	56.4
81.03408	6.6
81.07057	84.7
82.07423	2.8
83.04979	10.1
83.08611	10.0
85.02908	1.9
85.06555	2.8
91.05479	47.9
92.26192	2.0
93.07047	100.0
95.04966	11.8
95.08608	71.1
95.09058	1.2
95.09231	2.3
97.06535	9.1
98.22598	4.0
99.04454	2.2
99.08129	1.9
102.70251	1.9
103.05489	3.9
105.04529	3.3
105.07029	74.8
106.07358	2.4
107.08596	94.3
109.06493	7.0
109.10159	25.7
111.08083	7.3
111.11653	1.7
115.05468	2.1
117.07001	16.3
119.06120	2.3
119.08581	93.9
121.06490	8.1
121.10139	91.3
123.08057	6.8
123.11687	10.4
125.09608	2.1
125.49393	1.9
128.06235	3.2
129.06992	7.1
130.07805	2.1
131.08566	35.4
133.06496	2.9
133.10123	65.4
135.08086	16.4
135.11685	37.1
137.09608	3.9
139.07567	5.7
142.07799	5.7
143.08585	15.8
144.09331	2.8
145.10126	48.8
146.10849	2.7
147.08052	11.2
147.11690	54.4
149.09592	7.9
149.13252	23.8
153.09065	9.3
155.08542	7.1
156.09306	5.2
157.10156	21.8
158.10846	3.8
159.08067	10.3
159.11696	42.5
160.12334	2.4
161.09602	15.4
161.13258	22.4
162.13759	2.4
163.11159	18.1
163.14807	9.0
165.09100	2.3
167.10698	4.6
169.10089	9.4
171.11679	13.4
173.09615	8.1
173.13290	30.1
175.11162	11.1
175.14828	18.2
176.15208	2.5
177.09056	3.1
177.12749	5.4
179.10677	7.0
181.10088	2.6
181.10580	3.2
181.12231	31.3
183.11723	7.9
185.09662	5.3
185.13242	12.2
187.11201	9.3
187.14812	20.1
189.12738	8.9
189.16399	8.3
191.10680	4.1
191.14290	7.4
193.12192	4.7
195.11658	5.8
195.13799	11.2
197.13208	7.0
199.11230	3.5
199.14847	10.5
201.12653	5.4
201.16397	9.2
203.14348	6.5
205.12169	3.4
207.13785	4.7
209.13367	4.3
209.15280	18.9
211.14854	5.8
213.12787	6.3
213.16386	8.1
215.14268	8.0
215.17923	4.9
217.15851	5.2
219.13828	6.4
221.15294	9.5
225.16443	2.5
227.14381	3.6
229.15874	5.9
231.17422	4.0
233.15466	10.5
235.14743	3.2
235.16936	9.9
239.17834	2.9
241.15862	4.6
245.15343	8.2
247.17023	10.4
249.18495	11.9
251.17998	3.1
259.16919	7.1
261.18610	3.1
269.08087	5.5
269.19028	4.8
273.18619	2.4
275.20117	2.1
279.74603	1.8
281.07977	2.5
293.22604	2.5
297.07526	2.8
311.23761	4.9
313.21536	2.4
327.23117	2.1
329.24695	29.3
369.27774	3.5
391.26410	2.3
405.31497	6.3
415.29996	3.6
423.32520	9.8
433.31015	21.3
451.31952	13.0
469.33191	9.1
529.38123	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.3
55.01862	5.0
55.05507	22.5
60.49202	3.7
67.05502	38.3
69.07059	24.4
69.14034	10.5
69.14444	25.4
71.04999	5.3
79.05493	51.3
80.91788	3.8
80.92249	4.1
81.07056	80.1
83.04977	12.9
83.08596	8.9
91.05490	33.9
93.07043	98.3
95.04974	11.4
95.08614	89.3
97.06535	11.4
99.83740	3.8
103.05429	6.5
105.05855	3.7
105.07034	77.5
106.07342	4.5
107.04971	4.5
107.07861	6.0
107.08591	100.0
109.06568	7.1
109.10142	21.2
111.04490	5.7
111.08088	7.7
113.96708	4.0
115.21627	4.0
117.07017	13.5
119.08584	95.3
120.51166	4.7
121.06508	13.2
121.10139	90.8
123.08065	9.0
123.11703	7.0
129.07024	10.3
130.07802	5.7
131.08578	30.5
133.06531	4.5
133.09196	7.1
133.10132	69.1
135.08049	14.9
135.11720	26.0
139.07576	7.2
141.07034	5.4
142.07855	5.6
143.08554	16.0
145.10114	50.4
147.08023	11.2
147.11707	60.0
149.09647	7.7
149.13249	32.7
153.09151	10.3
155.08556	7.8
157.10158	31.0
159.08101	11.8
159.11694	45.2
161.09599	15.7
161.13278	22.6
163.11186	16.1
167.10756	8.0
169.10118	10.7
171.11694	14.1
173.13264	25.1
175.11208	14.0
175.14839	16.2
177.09039	5.1
177.12781	7.4
179.08444	6.6
179.10757	5.1
181.10161	11.1
181.12210	35.2
183.11639	10.3
185.09633	9.0
185.13252	20.8
187.11285	7.1
187.14784	24.6
189.12726	9.3
189.16374	8.6
191.14345	8.5
195.11833	10.6
195.13789	12.2
197.13266	9.7
199.11125	4.5
199.14717	7.0
201.12746	11.4
201.16458	9.7
203.14363	6.8
207.11775	9.3
207.13750	8.4
209.13297	11.5
209.15384	16.3
211.14792	9.1
213.12772	8.2
213.16373	8.2
215.14304	12.3
215.17964	8.5
217.15846	8.4
219.11716	6.3
219.13785	8.4
221.13271	5.7
221.15294	10.0
223.11214	5.4
223.14859	6.4
225.16454	4.5
227.14439	7.0
229.15755	4.3
233.15349	8.9
235.14754	4.8
235.16919	15.1
237.16466	6.1
247.16924	15.6
249.18527	9.0
251.17938	5.0
253.12117	5.3
259.17041	6.9
261.18631	5.0
267.13992	4.6
269.19006	8.3
293.18839	4.2
329.24683	28.6
401.70529	5.1
403.26102	9.0
415.30026	7.9
423.32852	7.5
431.25897	5.3
433.31036	17.0
435.25125	5.7
445.27777	5.4
451.32071	16.8
459.25388	12.6
463.28387	34.9
469.33234	11.0
477.26187	15.4
481.28635	5.1
484.27792	5.7
529.23645	6.2
529.34760	6.6
537.64575	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.6
51.02374	0.9
53.03940	4.0
55.01871	2.9
55.05512	19.0
57.03433	4.3
57.07075	4.5
65.03953	3.0
67.05506	61.1
69.03423	0.6
69.07070	20.1
69.32719	4.0
70.06623	1.3
70.65075	0.6
71.05001	2.8
71.08645	1.2
77.03931	1.2
79.05492	47.7
80.05862	0.7
81.03428	2.5
81.07056	63.7
82.07388	1.2
83.04980	4.1
83.08624	11.0
85.06541	3.0
87.04468	1.3
88.07661	1.1
91.05483	32.5
93.07044	56.9
94.07387	1.2
95.04971	6.5
95.08607	34.6
95.20912	0.5
96.08970	0.7
97.06530	5.7
97.10162	3.1
98.22961	2.2
99.04440	0.6
99.08124	1.6
102.40907	0.6
103.05499	1.2
105.04527	1.0
105.07034	24.0
107.04939	0.8
107.08597	28.7
108.08940	0.8
109.06529	2.6
109.10154	10.7
111.08097	4.2
111.15096	0.5
113.09641	0.7
115.05472	1.3
117.07020	13.9
119.08578	15.4
121.06544	1.6
121.10144	20.6
123.08064	1.2
123.11716	4.9
125.09626	1.1
128.06241	1.5
129.07014	5.3
131.08571	21.4
133.10130	16.1
135.08089	1.6
135.11693	12.9
137.09677	0.7
137.13263	0.6
139.11191	1.4
141.06982	1.5
142.07791	1.3
143.08551	7.6
144.09415	0.8
145.10117	14.4
147.08003	0.7
147.11696	6.5
149.09637	0.8
149.13254	18.6
151.11127	1.1
153.09096	0.6
155.08575	2.4
157.10118	6.2
159.11700	14.0
161.13278	4.0
163.11244	0.8
163.14864	1.5
167.08614	1.3
167.14304	0.9
169.10130	3.8
171.11693	4.9
173.13287	6.7
175.14871	1.8
177.12746	3.6
181.10185	1.3
183.11743	2.3
185.13268	4.5
187.14857	3.7
191.14378	0.8
195.11861	1.3
195.13846	7.8
197.13326	2.2
199.13277	0.6
199.14769	2.7
200.17090	0.5
201.16379	2.4
209.13254	0.9
211.14899	1.6
213.14732	0.7
213.16476	1.3
215.18036	0.9
223.14847	1.2
225.16434	1.5
227.18060	0.8
228.23331	1.9
229.23686	0.6
237.16376	0.9
239.18071	0.7
243.21129	1.1
244.22716	0.8
247.09705	1.1
256.26364	0.8
259.20642	0.6
261.22125	5.1
269.42426	0.7
271.20825	0.6
272.26108	0.8
275.20129	0.8
283.26370	1.5
284.26712	0.8
285.22217	0.8
289.21796	0.7
297.21841	0.9
299.23727	1.5
311.23721	0.9
311.29706	1.1
312.29636	0.6
313.25116	1.0
317.24750	2.1
325.25247	1.2
339.26932	0.9
357.28210	0.5
396.40179	0.6
419.33167	1.9
431.31885	0.8
434.49673	0.6
437.34198	11.5
438.34528	1.0
455.35327	4.4
455.44708	0.6
456.35455	0.7
473.36612	2.8
493.36664	0.9
511.37958	3.5
528.49982	1.8
529.38892	100.0
529.49994	8.1
530.39142	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.2
53.03951	5.8
55.01869	3.0
55.05511	23.7
57.03438	5.7
57.07080	4.0
59.05004	1.0
59.58285	0.7
65.03943	5.3
67.05506	84.5
68.05847	1.5
69.03415	1.8
69.07070	24.4
71.05000	4.8
71.08636	1.1
77.03944	1.6
79.05495	63.9
80.05833	1.4
81.03426	6.1
81.07056	92.5
82.07408	1.9
83.04986	6.6
83.08622	14.0
85.06547	3.9
87.04472	1.8
91.05482	46.8
92.05814	0.7
93.07044	85.5
95.04978	10.0
95.08605	43.7
97.06532	10.3
97.10173	3.2
98.22625	1.7
98.23274	1.8
99.08097	3.2
103.05473	0.9
105.04535	2.9
105.07034	28.1
107.04969	1.0
107.08598	42.1
109.06517	3.4
109.10161	13.2
111.08083	6.1
111.11720	1.3
113.09617	1.4
115.05428	1.5
117.07013	15.3
118.07333	0.7
119.08582	19.3
121.06541	2.1
121.10145	34.3
123.08073	2.5
123.11707	4.5
125.09636	1.7
128.06232	1.6
129.06999	4.3
130.07832	0.7
131.08566	23.3
133.09123	0.6
133.10123	17.8
134.10490	0.8
135.08113	1.7
135.11679	16.0
137.09612	1.3
137.13258	1.2
139.11232	1.7
141.07004	1.3
143.08566	6.8
144.09395	0.8
145.10112	14.7
147.11691	11.4
149.09639	1.3
149.13258	34.1
150.13684	0.9
151.11194	1.7
155.08575	2.7
157.10146	7.6
159.11694	20.9
160.12146	0.9
161.13246	5.4
163.14815	1.7
167.08621	0.8
167.14427	1.0
169.10158	2.1
171.11694	5.7
173.13234	7.9
175.14842	2.7
177.12788	4.6
181.10179	1.2
183.11720	2.5
185.13298	2.9
187.14879	4.4
189.16409	0.8
193.12231	1.9
195.12022	1.3
195.13776	8.2
197.13321	1.6
199.14861	2.7
201.16443	2.0
209.13181	1.0
211.14822	1.2
213.12888	0.8
213.14751	1.4
213.16519	1.1
215.18059	1.0
217.15688	0.8
223.14870	0.9
227.17825	1.1
237.16402	0.8
239.17908	1.0
243.21144	2.6
256.26468	2.1
261.22162	6.8
269.17657	1.3
299.23523	1.2
300.29022	0.8
317.24802	2.4
391.57025	0.8
419.33081	1.7
437.33990	6.5
455.34982	3.3
473.36078	1.1
493.37042	0.9
511.37857	3.0
529.38892	100.0
530.39252	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01876	3.2
55.05513	52.2
56.61792	1.7
57.03440	27.5
57.07080	51.1
65.03959	3.1
67.05508	68.3
69.07070	70.4
69.39044	9.3
71.05016	3.6
71.08639	32.3
73.06574	2.2
75.04488	8.7
79.05496	41.5
81.03423	6.7
81.07059	100.0
82.07369	2.6
83.04977	5.5
83.08620	51.2
85.06547	4.4
85.10187	17.0
87.04474	7.5
91.05472	21.4
93.07045	44.1
95.04982	6.3
95.08608	81.7
97.06532	15.0
97.10172	32.3
99.08096	3.1
105.07029	18.1
107.08598	31.3
109.10149	38.2
111.08065	11.0
111.11742	9.9
113.06032	5.0
115.07561	2.7
117.07041	6.1
119.08588	11.1
121.10147	32.5
123.11721	17.4
125.09647	7.5
125.13293	4.1
129.07021	5.8
129.09117	4.9
131.07079	5.9
131.08569	13.8
133.10123	9.3
135.11688	27.9
137.06059	2.3
137.13293	6.2
139.11182	10.3
142.07838	1.9
143.08577	6.2
143.10695	3.3
145.10097	11.0
147.11707	6.0
149.13271	15.7
151.14807	2.9
153.05521	2.0
153.12762	6.0
157.10146	5.8
158.70624	1.9
159.11708	8.1
161.13293	5.2
161.96519	1.9
163.14853	7.1
167.07124	2.1
167.08534	2.5
167.14365	2.5
169.10178	2.5
169.50627	1.8
171.11729	3.2
175.14882	3.3
177.16431	5.0
177.21155	1.8
181.08621	5.9
181.15945	3.2
183.11829	2.2
185.13283	2.8
185.15454	2.7
191.18002	2.5
195.11717	2.4
195.17511	5.1
199.14839	3.2
199.16928	3.2
205.19579	4.6
212.13113	2.1
223.20525	2.4
233.22665	2.6
245.22684	2.0
251.23700	2.6
255.23218	2.7
256.26422	3.1
317.32095	7.8
327.30472	2.7
335.33215	11.9
345.31589	12.6
363.32538	36.4
364.32999	3.5
399.34695	44.0
400.35370	5.3
419.33176	2.1
437.36383	37.6
438.36542	5.4
455.37299	46.5
456.37503	4.4
511.39798	19.1
529.39502	70.0
530.39624	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
55.05495	0.8
64.60085	0.2
65.03919	1.6
67.05471	0.4
69.03423	0.7
69.64886	0.5
69.65271	0.6
73.51725	0.2
79.05468	0.3
83.04987	3.6
85.02908	0.6
88.33380	0.2
91.05483	9.2
93.03387	0.9
95.04990	1.5
97.02904	0.4
105.07014	0.7
107.04965	3.2
109.06535	0.3
111.04449	2.8
119.04948	23.3
119.91111	0.2
120.05252	0.3
121.02882	1.3
121.03621	0.2
123.04445	0.3
129.05502	1.2
131.04916	0.7
133.06485	2.9
135.04408	0.4
139.03914	1.8
145.03513	0.4
145.06509	0.8
147.04413	100.0
148.04739	2.0
149.05951	0.3
153.05463	0.3
153.06764	0.2
157.04977	1.5
157.06355	0.4
159.04410	3.3
161.06036	1.2
163.03914	0.8
165.05608	0.5
165.07033	0.9
167.08542	0.3
175.06052	0.6
177.05447	0.8
177.06871	0.3
183.08115	0.8
189.05446	1.7
193.07047	0.8
195.08099	0.6
201.05498	1.1
211.07573	1.4
219.02052	0.4
219.06514	0.7
223.07567	0.6
225.05531	0.4
229.08516	0.5
239.07001	1.5
249.05513	0.7
257.08051	0.8
267.06430	1.6
275.09027	0.8
278.07895	0.3
279.08478	0.7
285.07455	1.7
303.08636	6.9
304.09265	0.3
313.09186	0.4
320.09033	0.3
320.47247	0.3
321.09644	4.2
331.10236	1.0
339.10767	0.9
373.11340	0.3
398.03769	0.3
459.12930	0.9
477.13956	5.4
477.20251	0.5
495.14996	3.8
530.18268	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.2
61.39287	0.4
63.09554	0.4
65.03933	1.7
67.66989	0.4
69.03426	1.3
69.70895	1.0
69.71281	0.9
75.79680	0.4
83.04984	4.3
91.05481	9.9
93.03418	0.5
95.04963	1.6
97.02867	0.7
98.22601	0.6
105.07043	0.5
107.04965	4.5
111.04427	3.8
115.03961	0.4
119.04946	24.4
120.05260	0.6
120.08092	1.8
121.02895	2.2
123.04424	0.5
129.05490	0.9
131.04932	0.9
133.06487	4.4
135.22560	0.4
139.03912	2.0
145.06470	0.7
147.04408	100.0
148.04742	2.0
157.04961	1.3
157.06422	0.4
159.04436	2.9
161.05971	2.3
163.03934	0.8
163.80893	0.4
165.06940	0.6
166.08832	0.5
173.05972	0.5
177.05438	1.3
183.08069	1.2
189.05534	2.3
193.07016	0.6
195.08076	0.6
201.05492	0.9
211.07503	1.1
216.89056	0.4
219.06491	0.8
221.05878	0.6
229.08545	0.5
239.07056	1.6
249.05516	0.8
257.08215	0.8
267.06537	2.4
274.08575	0.5
275.09079	1.2
278.07956	0.9
279.08517	0.8
285.07578	1.2
293.10175	1.1
303.08618	9.8
304.08994	0.5
320.09171	1.0
321.09558	5.7
331.10294	1.6
339.10553	0.7
431.13123	0.5
477.13879	6.7
479.69431	0.5
495.14948	5.9
508.84164	0.5
531.16980	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.05499	4.3
58.27002	2.8
65.03938	2.5
67.05500	5.9
69.03429	16.1
71.31623	2.8
79.05503	14.2
81.03426	3.4
81.07057	87.9
82.07365	3.2
83.04984	3.9
85.02901	5.8
87.04459	3.2
87.78118	1.9
91.05502	16.8
93.07047	9.6
95.04956	10.5
95.08620	8.2
97.02926	12.6
97.03428	2.0
99.04483	2.8
105.07036	9.6
107.08591	8.4
109.02886	3.3
109.06519	32.1
109.10156	3.0
111.04481	3.0
115.03921	5.3
117.07023	6.4
119.08591	9.9
120.25037	2.1
121.06487	6.1
121.10069	2.3
123.04392	2.6
123.08059	4.8
128.06166	2.0
129.07004	5.6
131.08546	9.3
133.04936	6.2
133.06453	4.0
133.10107	5.6
135.08089	4.9
137.05981	100.0
138.06314	7.3
141.07013	3.4
143.08549	11.7
145.06500	7.3
145.10121	18.9
147.08049	11.0
147.11630	2.8
149.06000	2.8
153.06969	3.4
155.08524	10.6
157.06520	5.0
157.10115	8.3
158.02708	2.4
159.08057	8.2
159.11644	6.0
161.05978	2.7
161.09602	6.2
163.07516	3.0
165.06978	3.6
167.08553	8.0
169.06471	3.0
169.10143	5.7
171.08052	7.4
171.11757	3.0
173.09651	11.7
175.07538	7.5
175.11093	3.9
178.07721	4.3
179.08572	5.3
180.09286	2.5
181.06522	3.4
181.10129	7.5
183.08070	8.0
183.11674	4.1
185.09587	5.8
187.07527	3.7
187.11208	4.3
193.08545	2.8
193.10150	5.0
194.07265	2.5
195.08014	7.3
195.11711	3.8
197.09653	8.0
199.07573	5.2
199.11179	5.9
201.09113	5.8
201.16347	14.7
203.06998	3.2
205.10097	4.0
207.07988	2.3
207.11765	5.6
209.09621	6.4
209.13182	3.9
211.07481	4.2
211.11198	6.5
213.09122	5.1
213.12833	3.4
215.10718	2.6
217.10194	4.3
219.08054	3.6
219.11876	2.7
219.17467	2.1
221.09637	6.0
223.07619	3.0
223.11189	7.9
223.14781	2.5
225.09096	4.9
225.12772	4.4
227.10623	7.0
228.50534	2.3
231.11761	3.4
233.09578	3.3
235.11203	8.8
236.11897	4.3
237.09274	3.8
237.12654	5.5
239.06995	2.8
239.10701	5.0
241.12341	3.2
243.10149	2.9
246.10352	3.7
247.11159	4.4
248.11766	3.2
249.12646	3.7
251.10698	6.7
253.12222	8.1
254.12943	2.4
255.13843	7.3
260.11987	2.7
261.12817	3.0
262.09750	2.2
263.10876	3.9
263.14148	3.6
264.11630	2.7
265.12228	7.2
265.15860	3.8
267.10370	2.5
267.13739	6.1
275.10699	2.5
275.14328	8.3
277.12469	2.9
278.13205	2.7
279.13718	5.2
281.11685	7.0
281.14856	2.5
282.12482	5.2
283.13113	5.2
291.13702	3.2
293.11920	3.4
293.15363	5.5
295.13217	7.6
295.16873	3.1
296.13815	4.6
297.14835	3.0
309.14862	5.1
311.16324	3.4
321.14825	5.4
323.16476	4.9
333.14993	3.0
335.16513	3.8
339.12180	8.0
339.15967	10.9
341.14035	4.0
341.17657	4.7
353.13647	4.2
369.16879	9.4
371.15164	4.0
373.17859	3.1
379.15311	2.7
391.19083	7.7
397.16531	7.3
401.17322	3.2
403.18631	3.4
405.16800	2.3
409.20081	4.7
415.17844	9.8
417.17087	3.4
419.18423	24.1
420.19153	6.9
421.19760	3.5
431.18350	6.7
433.19989	5.7
433.73010	2.7
435.17722	5.2
437.19504	70.8
438.20184	23.4
449.19467	13.8
451.20901	9.2
452.21234	4.7
459.17981	4.1
459.24893	2.4
467.20865	20.9
477.18918	9.6
477.25858	3.9
495.20047	28.9
495.26712	4.0
513.21167	91.1
514.21332	4.9
530.24469	11.5
530.35443	2.7
531.21539	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35619	1.7
53.03943	4.5
55.05507	5.4
65.03944	1.8
67.05495	8.1
69.03427	12.8
69.07073	5.4
71.05003	4.3
75.37563	2.2
79.05505	17.9
79.11578	1.9
81.03416	2.4
81.07055	77.2
83.04978	5.6
85.02884	2.7
88.29634	2.2
91.05492	16.3
93.07054	14.1
95.04962	8.6
95.08613	10.3
97.02904	7.7
97.06544	4.9
99.04462	8.0
103.05477	3.6
105.07030	10.8
107.04955	6.9
107.08597	6.2
109.06503	33.0
109.10165	3.7
110.06889	2.3
111.04442	3.9
111.08097	2.5
115.05457	4.0
116.56210	1.9
117.05778	3.1
117.07010	10.3
118.06541	7.6
119.08591	8.1
121.06483	9.7
121.10173	3.9
122.03671	2.3
123.08079	8.4
125.06032	2.9
127.03904	2.8
128.06241	3.9
129.07022	7.0
130.06537	7.4
130.07596	1.8
131.08542	9.8
132.08072	9.0
133.02838	3.5
133.06552	4.9
133.10143	6.1
135.08072	6.0
137.05972	100.0
138.06331	2.7
139.03622	1.8
139.07533	3.6
141.06978	6.5
142.06615	2.6
142.07744	2.7
143.04832	2.0
143.08557	13.2
144.08098	5.9
145.02838	3.1
145.06502	8.4
145.10136	8.7
146.05972	23.0
147.08063	6.3
149.05988	7.6
149.09596	4.5
151.07530	5.1
153.06999	5.1
154.07756	2.8
155.07210	2.5
155.08540	11.0
157.06508	3.8
157.10106	6.9
159.08017	8.2
159.09204	24.1
161.05940	11.2
161.09616	6.0
163.07600	5.1
165.05708	2.2
165.07031	8.2
166.07764	2.9
167.08572	8.6
168.09366	2.8
169.06458	5.4
169.10147	7.2
170.05972	3.2
170.14192	2.2
171.08025	9.9
171.11736	4.5
173.09627	17.7
175.07524	5.9
175.11156	3.4
177.05511	8.4
177.09155	2.4
178.07845	3.9
179.07161	3.2
179.08492	9.7
180.09296	2.9
181.06421	4.0
181.10028	10.0
182.07283	5.0
183.08041	7.4
183.11661	3.7
185.09494	9.5
185.13344	2.5
187.07544	7.2
187.11218	3.3
188.07040	45.0
189.09076	3.5
191.08598	4.1
192.09343	6.1
193.06523	2.6
193.08583	3.3
193.10107	12.8
194.07306	3.5
194.10873	3.3
195.08049	12.8
195.11745	7.9
196.08795	3.2
197.06030	2.2
197.09666	8.9
197.13271	3.9
199.07498	4.9
199.11162	6.6
201.09128	6.9
202.07751	3.2
203.07036	17.9
203.08496	3.3
203.10591	2.6
204.09399	2.8
205.09917	17.3
206.10979	4.2
207.08066	9.9
207.11711	8.1
208.08824	4.9
209.06015	4.3
209.09573	17.2
209.13232	6.1
210.06892	3.6
210.10394	5.0
211.07533	5.6
211.11108	7.2
213.09180	5.8
215.08696	4.1
215.10661	3.7
216.09286	2.8
217.10135	6.2
218.10851	3.0
219.08070	8.5
219.11703	3.8
220.08827	3.8
221.06000	9.1
221.09642	12.6
221.13206	4.3
222.10410	5.2
223.07603	5.9
223.11169	16.6
224.08325	2.9
224.11922	5.4
225.09137	8.2
225.12733	7.9
227.10742	3.6
227.14375	2.8
229.10179	2.7
231.07977	3.7
231.11992	2.9
232.08890	3.9
233.09744	12.9
233.13344	3.1
234.10454	11.7
235.07509	7.0
235.11185	21.2
235.14806	4.5
236.08255	2.7
236.11916	3.6
237.09160	14.7
237.12732	10.0
238.09915	2.4
239.10727	8.7
239.14287	6.6
241.08557	2.7
241.12038	3.0
243.11670	2.8
245.09627	6.9
245.13335	2.7
246.10321	3.4
247.07523	3.6
247.11203	8.9
248.08185	2.6
248.12015	4.2
249.09041	5.2
249.12769	8.6
251.10643	26.9
251.14418	4.1
251.17964	4.1
252.11458	17.7
253.08664	6.3
253.12178	9.5
253.15808	3.3
254.12819	3.7
255.10043	3.5
258.09070	3.5
259.10980	2.6
260.11853	3.0
261.09164	16.6
261.12708	5.8
262.09958	12.8
263.10892	12.0
263.14233	12.5
264.11115	2.8
265.08725	2.9
265.12225	9.7
265.15909	4.0
267.10223	3.1
267.13867	4.1
269.11627	2.2
269.18951	3.1
271.11285	2.4
273.12607	4.8
275.10645	9.9
275.14246	5.6
276.11359	4.4
277.12283	8.0
277.15790	2.3
278.12048	3.2
279.10217	19.7
279.13724	8.8
279.17007	2.1
280.10910	27.2
281.08630	3.0
281.11682	10.5
281.15295	8.1
285.11545	2.6
287.20035	3.1
289.12186	7.8
289.15302	3.1
290.11917	4.2
291.13800	12.2
292.13974	2.7
293.11670	4.1
293.15381	4.6
294.12244	3.4
295.13358	6.5
303.10251	3.1
303.13748	3.8
305.15305	5.5
307.13541	6.1
307.16962	2.9
309.14835	14.9
311.12811	5.2
311.16376	2.9
319.13400	10.2
321.11191	9.3
321.14801	4.8
322.12067	6.7
323.12827	4.4
323.16348	5.3
325.18237	3.2
327.12250	2.8
333.14948	6.2
335.16467	5.6
336.12366	8.6
337.14288	16.4
339.12317	13.6
339.15997	2.8
340.13123	6.3
341.13843	6.8
351.15887	5.7
353.14767	8.5
359.12692	3.3
361.14261	4.9
369.17099	9.1
371.16495	2.9
379.15234	10.7
389.17490	7.8
391.18939	5.6
397.16443	13.1
399.15909	7.1
401.17371	3.2
405.20593	2.8
407.18408	6.2
409.20230	2.3
413.17154	2.8
417.17010	75.6
418.17099	7.6
419.18695	11.5
420.19089	2.5
421.20035	3.8
423.18149	2.6
431.18588	7.3
433.19974	8.1
435.17929	64.7
436.18146	6.7
437.14594	3.3
437.19696	42.8
438.20142	4.0
441.17911	3.7
449.19418	11.9
451.21036	8.0
453.23172	3.2
455.20361	12.6
459.17972	14.3
467.20621	9.4
471.22815	14.9
471.28552	3.0
477.19067	39.1
478.19141	3.5
485.20993	9.0
487.26807	5.3
495.19949	51.1
496.20218	4.4
513.21045	7.1
513.25464	2.5
530.24500	2.7
531.19019	2.3
531.25964	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98495	1.7
52.41259	1.7
53.03950	2.0
55.05510	11.2
57.03437	15.2
57.30658	1.7
59.05002	3.8
67.05515	6.4
69.03429	52.5
69.07064	3.7
69.47655	1.9
71.31241	1.7
71.31639	1.7
73.02925	6.8
79.05498	4.4
81.03427	3.2
81.07070	10.6
83.04996	3.0
83.08613	36.8
83.54646	1.8
85.02898	45.5
85.06510	2.0
87.04463	29.6
87.43781	1.9
91.05482	6.7
93.07029	5.4
95.04971	2.9
95.08617	8.8
97.02895	41.2
99.04488	3.8
105.07022	33.9
106.07355	2.2
107.08594	4.6
109.02877	3.7
109.10147	29.6
111.04427	2.2
111.08124	2.5
114.53076	2.2
115.03925	49.5
115.81066	1.9
117.07038	3.7
119.08581	24.8
121.06490	2.7
121.10175	2.3
127.03944	7.8
128.06230	2.5
131.08527	10.9
133.04964	52.8
133.10172	2.6
137.05075	1.9
137.05962	10.2
138.06326	2.2
139.07523	2.9
143.08594	2.9
145.04945	12.9
145.10117	60.2
149.09569	2.2
150.07622	8.6
151.33508	1.9
155.08476	2.8
157.10104	3.5
159.11708	13.6
161.09610	2.4
163.06036	6.8
173.13144	2.0
185.09534	2.4
193.10118	2.4
201.16385	100.0
202.16704	5.9
237.12567	2.1
241.07143	2.3
259.08203	2.1
275.17953	2.0
287.97675	2.2
295.10229	3.0
299.31058	2.0
312.18219	2.2
417.24307	3.0
437.23273	2.6
441.23154	2.2
452.21780	2.8
459.25342	4.9
470.22574	4.5
477.26990	4.7
482.33511	2.4
530.20734	18.7
531.21228	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67558	2.7
53.03952	3.9
55.05506	7.1
57.03440	11.6
59.05025	4.0
61.02922	5.5
67.05515	10.1
69.03426	19.6
69.07067	8.5
69.36085	17.8
73.02929	16.2
79.05485	4.9
81.03414	3.8
81.07053	17.1
83.04986	5.6
83.08620	28.9
85.02908	41.1
87.08053	2.9
91.05485	8.0
93.07032	3.4
93.86551	2.8
95.08620	10.7
97.02891	22.3
105.07034	43.0
107.08599	8.9
107.21078	2.6
109.02877	3.9
109.06528	6.0
109.10147	24.0
115.03937	13.3
115.05495	3.5
117.07030	7.1
119.08604	26.7
121.10117	3.8
123.08088	6.8
126.07326	3.0
127.03947	13.1
129.06989	4.8
131.08594	10.8
133.04961	14.7
133.10143	6.1
137.06015	9.8
139.07538	4.1
143.08607	6.2
145.04977	12.6
145.06580	3.3
145.10126	76.8
145.11266	4.8
146.10437	4.1
147.08076	3.5
147.11752	2.9
155.08569	3.0
157.10158	7.6
159.11729	11.5
161.68515	3.0
163.06046	8.4
165.54646	2.9
169.10126	5.6
173.09636	3.6
181.10165	3.5
201.16396	100.0
202.16739	4.1
219.11685	5.5
219.13745	3.6
223.06082	3.9
231.13849	3.5
241.07089	4.9
241.19440	16.9
243.21135	4.1
259.08133	5.3
259.20648	5.9
261.16434	3.3
277.15918	2.9
287.20041	36.0
315.19565	25.6
333.20630	6.0
351.89996	2.9
453.18759	4.7
471.27496	6.2
477.26917	4.2
530.20386	6.9
531.22327	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24329	1.9
53.03938	4.0
55.05516	3.8
67.05502	7.7
69.03425	8.7
74.70553	2.3
74.90552	1.8
79.05493	7.5
81.03423	5.2
81.07060	6.7
83.04982	3.3
85.02905	2.4
90.05091	2.0
90.44497	2.2
91.05476	12.3
93.07045	11.7
95.04961	3.1
95.08619	7.7
96.46224	1.8
105.07018	13.0
106.32008	2.2
107.08595	15.2
109.06500	5.4
109.10158	2.4
109.86675	1.8
111.04468	4.2
111.08065	4.0
119.08589	13.0
119.28587	2.2
121.06516	16.4
121.10206	4.1
123.08075	4.5
125.17393	2.2
129.06996	4.0
131.08563	12.4
133.10124	13.8
135.08055	24.0
135.11690	7.5
137.05959	3.0
137.09631	7.0
142.07751	3.3
143.08560	7.3
145.06433	2.5
145.10144	7.7
146.07370	2.5
147.08063	4.9
147.11729	2.4
149.09625	15.7
155.08578	5.4
156.09360	3.0
157.10129	8.2
159.08054	34.7
159.11682	3.3
161.05856	2.7
161.09644	15.2
163.07570	8.3
169.10092	4.4
171.08067	2.7
171.11700	7.4
173.09618	7.5
175.11229	5.2
177.09142	6.0
181.10179	4.1
183.11641	4.1
185.09576	8.4
187.11211	7.3
189.09140	5.2
189.12764	2.5
193.10107	4.4
195.11696	4.7
197.09648	4.1
197.13443	2.3
199.11208	7.5
201.12714	3.9
206.10995	2.5
207.11662	4.0
209.09697	3.7
209.13306	4.2
211.11258	4.1
213.12814	3.1
214.09645	2.6
215.10709	3.9
221.13350	3.2
223.11156	3.5
223.14871	2.9
225.12897	3.9
227.10706	3.0
229.12288	4.6
235.11331	2.2
235.14697	3.0
237.12802	3.4
239.14505	2.5
243.13866	3.5
245.13278	2.4
247.11153	3.2
249.12819	2.4
249.16452	4.1
251.14589	3.9
261.16360	2.5
262.13669	4.8
263.14459	5.1
263.18362	2.0
265.12085	2.4
265.15793	3.4
267.13617	3.7
275.14230	2.9
277.15814	13.4
281.15393	8.0
290.13120	2.3
293.15457	3.9
295.17038	4.4
305.15298	19.1
311.16437	2.4
323.16397	59.7
323.19757	2.2
324.16940	4.3
341.17477	100.0
342.17923	7.1
345.18552	2.6
359.18500	11.1
384.01886	3.0
399.23068	3.4
413.24573	2.6
415.26212	6.9
417.24216	3.6
423.23099	4.3
431.25598	5.4
433.27866	10.9
435.25403	4.1
441.24234	15.9
449.27032	2.9
459.25363	31.0
460.25421	2.5
477.26398	62.5
477.32486	2.1
478.26413	7.1
495.27533	25.3
496.26993	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13674	15.2
55.05517	16.4
62.35912	16.2
67.05503	38.2
71.31725	27.0
79.05484	28.7
81.03421	28.3
81.07047	60.0
83.04996	34.1
91.05486	39.0
93.07057	44.9
95.04987	24.4
95.08606	65.5
105.07050	48.8
107.08627	23.3
109.53567	15.7
111.04424	36.6
119.08591	44.3
121.06561	18.0
123.08068	32.6
131.08528	28.6
133.10170	26.9
137.05992	34.9
139.07544	15.4
143.08604	35.7
145.10173	21.2
155.08565	34.5
157.10136	47.6
159.07938	18.7
161.09665	19.5
167.08652	20.9
171.11681	18.2
173.09698	17.7
177.66240	15.0
179.08583	21.1
181.10130	23.9
183.11760	23.3
187.11255	20.9
193.12044	18.5
195.11650	30.4
197.13255	37.5
203.10802	20.6
204.11732	14.3
207.11661	27.1
209.13266	46.8
221.13319	26.0
225.12636	16.2
251.18065	15.3
263.75632	15.9
277.15997	16.9
279.02832	16.0
294.57397	17.5
405.23898	18.9
417.24091	44.3
431.25888	22.1
435.25302	100.0
436.26157	20.5
447.25037	24.9
459.25500	32.0
477.26111	81.1
495.27426	53.9
530.31305	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	14.4
55.05503	27.3
56.01143	12.1
63.40918	12.7
67.05502	43.1
69.07072	16.4
71.30819	13.1
71.31182	16.4
79.05486	47.5
81.07067	100.0
83.04978	33.0
85.06529	34.0
86.06869	12.2
91.05466	20.8
92.80326	12.8
93.07063	29.5
95.08607	26.7
98.88045	13.7
105.07020	44.3
107.08585	23.4
109.06528	30.7
112.75175	13.3
119.08574	41.1
121.10211	16.5
131.08507	17.0
133.10199	20.1
137.05969	81.7
145.10130	29.8
147.08029	14.6
147.11671	19.4
149.09579	14.4
155.08537	12.9
157.10101	24.0
157.15048	12.0
159.11624	18.4
169.10051	14.4
171.11748	20.0
173.13347	13.5
175.07556	19.1
185.09612	21.6
207.11931	15.7
209.13071	13.0
210.33752	12.8
227.14310	15.1
237.12689	17.0
245.15448	18.9
313.10117	29.0
344.12289	19.6
345.20740	16.5
349.23026	15.9
400.14719	13.6
403.57831	14.3
428.17725	16.5
431.25809	32.3
433.27258	18.6
434.10876	11.6
435.21408	47.5
449.26611	19.8
451.28439	24.1
459.25446	26.6
477.26584	62.1
478.26184	15.2
480.57480	13.5
485.28790	50.1
552.07025	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89695	10.2
51.70315	10.8
62.62499	11.9
67.11685	10.7
69.06650	100.0
83.04987	17.3
93.07049	17.6
98.23440	27.1
119.08585	15.1
133.10196	13.1
175.36412	13.1
204.28844	12.5
441.24207	16.7
477.26682	27.5
482.92007	15.5
519.65656	14.3
530.35095	14.7
531.19916	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48215	3.7
53.03940	7.5
55.05503	20.8
65.03956	4.0
67.05505	36.7
68.99777	5.3
69.03432	5.1
69.07047	22.2
79.05499	27.7
81.07040	31.1
83.04971	17.5
83.05407	3.6
83.08614	11.5
85.06557	7.1
86.61087	4.1
91.05472	47.5
93.07042	57.0
95.04970	12.8
95.08604	76.1
97.06518	8.9
103.05467	68.4
105.07027	69.9
107.08592	60.3
109.06543	9.7
109.10141	20.9
111.04435	11.9
111.08082	12.9
115.05480	5.3
117.07015	20.7
118.41270	3.7
119.08585	63.7
121.06495	12.9
121.10152	31.5
123.08076	25.9
123.11721	10.8
125.09602	4.2
129.01810	4.9
129.07016	16.1
130.07811	5.3
131.04018	3.5
131.04921	93.9
131.08565	34.0
133.10121	41.5
135.08049	8.7
135.11688	13.9
137.09651	8.6
139.07550	8.3
141.06979	12.1
141.09108	4.0
142.07779	14.6
143.08562	38.5
144.09320	5.3
145.06541	7.7
145.10124	47.3
147.08080	7.6
147.11647	24.3
149.09654	11.6
149.13344	5.3
151.07538	9.1
155.08571	28.7
156.09358	12.9
157.10143	46.3
158.10696	4.3
159.08084	13.9
159.11705	37.1
161.09666	24.1
161.13237	19.2
163.11192	8.8
167.08592	8.3
167.31783	3.6
168.09390	4.6
169.10104	20.6
170.10938	9.8
171.11670	42.6
173.09604	15.1
173.13298	24.4
175.11127	11.3
175.14806	7.9
179.08594	8.7
180.09393	3.9
181.10133	11.9
182.10822	6.3
183.11656	27.2
185.09718	6.7
185.13255	36.1
187.11244	12.9
187.14809	24.0
189.12762	13.4
189.16354	6.8
193.10184	7.8
195.11687	15.7
196.12447	7.0
197.13196	23.4
199.11177	11.3
199.14801	19.0
201.12715	12.0
201.16403	9.4
203.14281	4.8
206.10883	4.0
207.11713	8.2
209.13196	18.4
211.11227	8.1
211.14795	12.0
213.12790	10.2
213.16411	11.5
215.14204	9.5
221.13312	7.5
223.11234	6.7
223.14854	10.5
225.12636	7.7
225.16354	12.7
227.14369	15.2
227.17952	34.9
229.15834	11.4
233.13283	5.7
237.16309	6.6
239.17961	6.6
241.15839	7.9
241.19548	16.0
243.17479	4.0
251.17912	12.4
253.19650	6.1
255.17375	4.3
257.15256	4.2
267.10281	5.7
269.19061	21.6
271.16983	5.5
285.18488	6.1
295.20551	10.5
297.18451	6.5
310.11914	6.9
311.20148	7.0
327.23190	9.4
329.07828	5.8
355.09952	6.8
365.24738	5.8
367.26422	47.7
369.24332	7.0
381.27795	12.6
383.25864	5.8
385.27176	19.5
391.26288	18.1
395.14206	4.8
397.10718	5.5
407.25848	6.0
409.27316	64.4
411.12402	7.1
425.27148	6.7
427.17419	5.7
429.13318	8.2
433.26868	5.9
443.14822	11.8
449.26346	4.4
462.16632	9.4
463.17548	4.5
475.17389	23.2
477.26089	4.9
485.19458	7.5
499.20959	15.7
531.23779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	46.4
57.07064	4.7
61.58906	1.0
67.05503	2.5
69.41837	4.1
69.42238	2.5
70.08538	1.0
74.09717	1.6
81.07068	1.5
83.04981	100.0
87.04469	26.6
88.07623	1.2
91.05482	1.3
92.92696	1.1
93.07017	1.2
103.05465	2.0
119.13199	1.1
119.14205	1.2
131.04947	3.2
136.79167	1.1
160.29410	1.1
256.26355	7.5
257.26630	1.7
371.18192	2.0
398.49164	1.1
403.21179	2.2
433.95151	1.3
485.25339	2.0
500.18021	1.7
513.28076	1.1
530.22327	48.0
530.36115	1.8
531.22528	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.9
55.01873	5.1
55.05516	26.8
56.45900	2.7
57.03439	16.6
58.56501	2.7
65.03902	2.5
67.05497	38.2
69.03413	6.7
69.07058	8.5
70.18118	6.6
71.04982	4.9
73.02923	3.2
79.05492	32.1
80.27056	2.6
81.03417	91.8
81.07063	36.6
83.04986	33.4
83.08615	28.0
85.02904	32.6
85.06535	3.7
89.20927	2.4
91.05485	43.2
92.05833	3.0
93.07044	29.8
95.04971	42.9
95.08609	19.1
97.02888	7.0
97.06516	7.9
97.10161	6.9
98.94268	2.6
105.07030	34.2
106.07350	3.5
107.04962	8.3
107.08591	17.1
109.02856	2.5
109.06509	12.2
109.10172	7.6
111.04467	4.6
111.08057	16.0
113.06046	5.1
115.05479	4.0
119.08584	35.0
121.06487	5.4
121.10136	14.1
123.08056	6.5
129.07018	18.2
131.08565	21.8
132.08885	3.4
133.06465	8.1
133.10135	19.2
135.08057	6.6
135.11682	3.2
137.09651	2.7
141.07037	3.0
142.07712	5.8
143.08534	4.6
145.10114	15.5
146.10536	3.7
147.07991	6.7
147.11700	19.4
149.09641	10.1
151.07591	2.7
157.10133	20.9
159.08034	3.4
161.09618	4.4
165.12766	3.8
169.10069	5.1
171.11629	2.6
173.13263	4.0
175.11153	21.3
180.08987	2.6
181.10089	3.3
183.11662	3.7
185.09378	2.7
187.11172	4.0
193.12244	75.5
195.11688	4.2
207.11787	3.2
210.13933	3.2
211.13284	100.0
212.13649	5.6
225.12762	3.0
239.10626	3.2
241.12294	2.8
267.15924	26.0
273.12167	2.5
285.16949	82.6
286.17374	4.4
322.15457	2.9
399.89084	3.3
449.26657	3.7
459.27145	5.5
463.84180	2.9
477.28638	15.1
495.29556	51.5
496.30231	5.2
507.06479	2.6
512.26434	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01863	3.9
55.05514	17.9
57.03445	15.1
61.62396	1.1
65.03941	1.7
67.05508	29.8
69.03432	5.5
69.07076	7.9
69.08401	9.1
69.71684	1.4
71.04987	6.4
76.64674	1.2
79.05060	2.3
79.05498	31.3
81.03423	76.2
81.07062	35.8
81.67525	1.3
83.04982	19.5
83.08626	25.8
85.02425	2.0
85.02909	30.1
91.05485	45.3
93.07051	22.5
95.04973	34.0
95.08613	13.9
97.02895	4.3
97.06536	4.3
97.10169	4.1
98.14517	1.2
99.08090	1.6
103.05466	1.8
105.07030	32.0
107.04977	9.4
107.08597	8.5
109.06516	6.6
109.10165	2.6
111.04448	3.3
111.08087	14.7
113.06016	3.2
115.05474	2.3
117.07004	3.9
119.07767	2.2
119.08585	28.2
121.06568	2.1
121.10135	10.5
123.08042	5.4
123.11731	2.2
129.07025	13.8
131.08572	13.9
133.06543	6.3
133.10126	15.9
137.05980	3.6
137.09651	3.4
142.07774	4.6
145.10120	3.5
147.08055	4.7
147.11707	20.3
149.09619	5.7
157.10135	20.4
165.12756	4.3
175.11179	18.0
193.12248	67.9
194.12566	2.5
211.13304	100.0
212.13542	3.5
225.12692	1.5
257.15414	1.4
267.15921	26.9
285.16977	86.3
286.17303	2.6
367.22604	2.1
437.23358	3.3
440.38745	1.5
459.27310	7.4
477.28387	8.6
484.24149	1.6
495.22836	2.0
495.29523	26.4
496.29874	2.9
530.35522	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71650	0.8
54.80709	0.6
55.05512	2.3
67.05516	4.1
67.40089	0.7
69.07070	2.4
71.32175	0.8
79.05494	2.6
81.07063	5.3
83.04990	3.6
83.08620	1.1
85.06552	1.9
91.05475	3.5
93.07054	6.8
95.04977	1.6
95.08606	11.6
97.06578	0.8
105.04522	0.9
105.07031	7.8
107.08604	5.4
109.06506	1.8
109.10160	2.9
111.04472	1.8
111.08080	2.2
117.07035	1.9
119.08591	7.0
121.06510	1.4
121.10120	3.7
123.08047	3.3
128.06219	1.1
129.07004	1.9
131.08582	5.2
133.10146	5.8
135.08055	3.0
135.11693	1.4
137.05981	1.0
137.09570	0.9
139.07552	1.4
141.06950	0.9
142.07799	1.5
143.08595	5.8
145.06468	1.1
145.10118	5.0
147.08060	1.3
147.11711	2.0
149.09592	0.9
154.07811	0.9
155.08577	7.0
156.09340	1.4
157.10120	7.3
159.10576	0.8
159.11703	4.0
161.09627	4.3
161.13249	1.3
163.11162	0.8
165.07024	1.5
166.07735	1.0
167.08618	1.7
168.09328	1.2
169.10147	6.2
171.08093	1.1
171.11668	5.5
173.09610	1.8
173.13269	2.0
175.11215	1.1
178.07916	1.0
179.08568	2.4
179.10699	1.1
180.09297	1.5
181.10123	5.2
182.10867	1.0
183.11656	4.1
184.12479	0.8
185.09621	2.7
185.13307	2.4
187.11270	1.6
189.12715	1.5
189.18661	0.7
190.71094	0.8
191.08673	0.9
192.09341	1.6
193.10121	6.5
194.10890	1.7
195.11711	6.2
196.12506	1.0
197.09605	1.5
197.13275	4.2
199.11246	2.3
203.10606	1.0
205.10211	1.6
206.10974	2.1
207.11705	10.8
208.12479	2.0
209.09648	1.6
209.13237	8.0
210.13867	1.1
211.11197	1.4
211.14719	1.5
213.12700	1.2
217.12285	1.2
218.11003	1.0
219.11729	3.2
220.12457	1.7
221.09828	1.1
221.13278	11.6
222.13901	0.9
223.11256	1.2
223.14832	5.1
225.12785	2.5
225.16322	1.2
227.10712	1.6
227.14226	0.7
231.11642	1.3
233.13292	3.2
234.14069	1.3
235.11247	1.2
235.14737	5.8
236.11934	0.7
237.12746	1.5
237.16476	1.9
239.14334	1.7
239.17949	0.8
241.12299	1.2
245.13333	1.3
247.14890	2.9
248.12172	0.7
248.15553	1.2
249.12776	3.5
249.16411	3.0
251.14333	4.7
251.18080	1.2
253.12317	1.0
255.13933	0.9
257.15497	1.5
261.12836	1.0
261.16425	2.3
262.17447	0.7
263.14328	3.1
263.17911	5.4
265.15909	2.8
265.18842	0.7
267.13889	2.9
267.17264	0.7
269.15378	4.6
275.18005	1.1
277.15955	2.8
277.19449	2.1
279.13892	1.0
279.17123	0.8
280.14572	0.8
281.15472	1.6
283.16956	2.3
287.17871	1.1
289.15924	0.9
289.19406	0.9
291.17456	1.8
295.17102	1.7
297.18628	1.1
303.17462	1.6
304.18234	0.8
305.19034	7.2
306.19589	1.1
309.18478	1.9
321.18701	1.3
323.20059	8.4
327.19650	0.8
331.20618	1.6
341.10175	0.9
345.20752	1.5
349.21661	1.4
363.23056	0.8
364.24213	0.8
399.26801	1.5
401.51334	0.9
403.26425	5.5
417.28091	3.3
419.29456	4.4
423.25189	1.1
427.26483	3.6
445.27432	21.7
446.27655	2.9
463.28452	100.0
464.28796	10.9
481.29745	4.4
531.19983	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46940	12.9
55.05528	31.3
64.58049	12.5
67.05508	45.7
68.58773	15.2
69.03406	14.2
71.31618	16.0
72.16914	12.0
79.05499	43.9
79.93043	12.1
81.03413	15.9
81.07056	61.0
83.04986	35.7
91.05469	47.7
93.07054	59.6
95.04973	24.8
95.08611	100.0
97.06545	20.7
105.07044	75.8
107.08590	56.6
109.06497	67.8
109.10132	38.6
111.04440	33.4
111.08096	24.4
117.06992	14.2
119.08588	65.6
121.06461	21.7
121.10201	22.5
123.08054	25.8
129.07016	20.5
131.08557	37.8
133.10155	44.9
137.05954	21.0
143.08569	43.8
145.10124	51.0
147.08032	30.6
147.11670	19.7
149.09659	13.4
155.07071	17.6
155.08514	30.6
156.09245	30.4
157.10139	51.8
159.08049	29.1
159.11740	48.2
161.09647	18.9
167.08571	18.2
169.10147	36.1
171.08115	29.5
171.11684	50.0
173.09561	18.3
173.13306	18.3
177.09120	14.6
181.10112	38.2
183.11694	19.9
185.13254	32.4
187.11218	28.5
189.12833	13.9
195.10117	21.0
195.11703	26.8
197.13286	28.6
199.11244	28.2
201.12857	22.5
207.11662	17.0
209.13245	36.7
211.11192	18.0
213.12715	33.3
221.13222	37.6
225.12825	20.3
227.14305	16.8
231.13776	21.3
233.13399	23.7
237.12807	23.8
248.24417	14.3
277.15866	18.9
303.17542	15.1
419.22079	18.1
431.25739	16.1
433.27734	15.6
435.24939	29.1
445.27133	21.5
459.25235	45.7
463.28201	40.3
477.26096	74.4
481.29416	20.2
530.34839	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89570	6.7
61.48332	5.8
71.30798	13.7
81.07070	13.8
88.51679	7.8
109.10152	9.3
123.08082	25.9
129.06941	6.7
130.62135	6.9
137.05994	15.9
159.08061	8.6
167.08495	7.8
261.12839	8.1
361.02609	7.4
387.11118	10.3
390.09891	16.1
399.10974	8.2
405.12061	15.8
417.12540	10.4
435.13132	16.9
437.19373	10.4
458.34735	7.4
531.15558	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1839
Annotation	Isoswertisin 2''-O-(2'''-methylbutyrate)
Peak:m/z	Relative Intensity
53.52235	0.5
69.01658	4.6
69.01987	0.8
70.21237	0.4
70.26815	0.4
75.33710	0.5
78.51407	0.4
95.01079	2.3
101.60749	0.4
113.02119	4.2
120.62157	0.4
123.04448	0.4
127.03695	1.9
136.54887	0.4
137.02087	1.8
137.05971	0.4
154.02403	0.6
155.03159	13.4
159.04111	1.0
171.02644	6.7
172.03542	0.7
189.05241	0.8
201.05238	3.8
202.06041	0.8
204.07565	4.1
219.06294	3.0
222.10222	0.5
260.12158	0.4
289.06717	1.1
300.93167	0.5
333.09439	1.2
363.48303	0.4
381.13196	2.4
399.14301	0.6
531.18347	100.0
532.18463	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.6
53.03945	1.2
69.06217	2.6
75.28175	0.3
77.03927	0.6
83.04990	0.3
83.79238	0.4
91.05491	0.5
95.04969	2.2
102.04672	0.5
103.05468	50.2
104.05808	1.2
105.04551	1.0
105.07028	0.6
117.07008	0.3
121.32566	0.3
131.04927	100.0
132.05255	2.7
189.05286	0.4
211.07516	0.5
218.03947	0.3
227.06938	0.4
228.07625	0.7
243.09904	0.4
252.07745	0.3
253.08569	0.4
263.10663	0.5
265.08661	0.4
267.06754	0.4
267.10129	0.7
269.08078	0.5
277.08365	0.5
279.10052	0.5
291.10156	0.4
293.11703	0.4
294.09094	0.4
294.12524	0.4
295.09628	0.8
295.13046	0.5
299.09158	0.5
303.08801	0.8
306.12643	0.4
308.10431	0.7
309.11185	0.8
313.10660	0.8
317.10239	0.7
318.11041	0.7
323.12738	0.6
325.06744	0.5
327.12378	0.7
327.15833	0.4
328.12930	0.4
331.11816	0.5
332.12698	0.4
337.14310	0.6
340.09247	0.4
340.12958	0.6
341.17505	0.5
345.13391	0.5
351.12216	1.0
355.15240	1.9
356.15738	0.3
363.12115	0.8
369.17032	1.3
370.17624	0.9
379.11508	2.2
385.16699	0.4
387.13593	0.5
387.17950	2.5
394.13837	2.9
395.14810	1.0
401.19547	6.4
402.19717	0.4
409.16205	65.2
410.16559	5.7
415.17615	1.0
427.17175	0.7
429.13239	0.5
443.14944	0.7
444.15115	0.4
450.18796	0.8
462.16849	1.1
463.17578	0.4
475.17523	1.8
499.21060	0.7
500.21347	0.6
531.16168	0.5
531.23853	8.8
532.23938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01880	0.5
55.05507	3.8
56.24573	0.5
57.03436	1.6
57.07077	0.5
58.15393	0.6
60.57544	0.4
65.03925	0.5
65.29046	0.4
67.05505	8.8
69.07069	3.4
69.21545	0.9
69.21879	4.1
71.04992	0.9
79.05492	7.6
81.03439	0.5
81.07056	8.2
83.04988	1.4
83.08620	1.2
91.05486	6.9
93.07042	8.9
95.04980	1.1
95.08594	4.6
97.06548	1.7
97.10181	0.9
97.50974	0.5
100.65115	0.5
105.07024	7.4
107.08598	5.1
109.06485	0.8
109.10138	3.2
115.05400	0.6
117.07008	2.6
119.08570	6.5
119.09354	0.7
119.69997	0.5
121.10123	3.2
125.09629	0.8
129.07022	1.2
131.08572	5.0
133.10138	4.9
135.08000	0.5
135.11703	4.1
139.07549	0.8
141.06981	0.8
143.08578	3.1
145.10136	5.7
147.11703	3.3
149.13272	1.2
151.11198	0.8
155.08560	1.7
156.09402	0.7
157.10112	2.5
159.08066	1.2
159.11693	3.4
161.13245	3.0
163.11261	0.7
163.14828	0.7
165.07051	0.5
167.07092	1.2
167.08553	0.6
169.10173	1.9
171.11662	3.4
173.13228	2.3
175.14734	1.2
179.08479	0.6
181.12222	0.6
183.11737	1.7
185.13312	1.7
187.14864	1.3
189.05215	0.8
196.05246	0.8
197.05949	0.9
197.09656	0.8
197.13283	1.2
199.07573	0.8
199.14821	1.2
201.16362	0.5
207.08131	0.6
209.05940	0.7
209.13255	1.1
210.06746	1.4
211.07550	2.5
211.14810	1.0
213.05501	1.4
213.16409	0.8
219.10170	0.8
220.08841	1.1
223.07530	0.6
224.04771	0.5
224.08388	0.9
225.05583	0.5
225.09000	2.4
226.06204	0.8
227.07045	1.8
228.07593	1.0
229.05180	0.7
235.07616	0.6
235.11189	1.5
237.05515	1.0
237.09085	1.4
238.06242	1.1
239.06993	2.5
239.10762	0.6
240.07822	1.0
241.05060	0.9
241.08696	0.9
241.19398	2.3
242.05765	0.6
243.06624	1.7
247.07599	0.8
248.08430	0.9
249.09128	2.2
251.07030	0.7
251.10657	1.6
252.07970	1.5
252.11290	0.8
253.04997	0.9
253.08621	4.3
253.14375	0.6
254.09250	1.1
255.06586	1.9
255.15904	2.8
256.07364	2.1
257.08185	1.7
259.20560	5.5
261.22159	0.9
262.09875	0.8
263.07300	0.5
263.10672	2.5
264.11450	1.5
265.08679	3.4
265.12225	0.8
266.05750	1.0
266.09476	1.2
267.06558	4.8
267.09882	0.9
268.07245	0.9
269.04605	1.2
269.08185	0.9
269.11642	1.2
270.08926	2.1
271.05920	1.5
271.09598	1.4
272.06982	0.7
273.07681	1.0
276.08063	0.5
277.08673	1.6
279.07111	0.6
279.10349	1.9
280.07669	1.1
280.10995	3.3
281.08096	3.3
281.11755	4.2
282.08792	1.4
283.06219	1.2
284.06805	3.3
285.07648	3.4
285.11313	1.5
285.22318	0.6
286.08578	0.6
287.05731	1.1
287.09207	1.9
289.07202	1.1
291.10214	1.4
292.10950	0.9
293.08023	2.0
293.11758	1.8
294.08929	1.4
294.12253	0.9
295.09915	1.3
295.13348	5.2
296.13940	0.8
297.07788	0.8
297.11307	2.2
298.08264	2.1
299.09116	5.6
300.09879	2.1
301.07217	0.8
302.07745	0.9
303.08563	2.5
304.09384	3.6
307.09708	1.2
308.10452	2.2
309.11218	6.0
310.08603	0.6
310.12000	0.8
311.09222	0.6
312.13586	1.2
313.10690	6.2
313.14182	0.9
314.11285	2.4
316.09521	1.4
317.10355	1.3
318.10934	3.8
319.11554	0.6
322.11987	0.9
323.12766	6.2
324.13504	2.5
325.06799	1.4
325.10831	2.0
325.14413	2.1
326.11356	1.0
327.12555	0.6
327.16010	2.2
331.11801	2.0
333.24249	2.1
339.12460	0.7
340.09464	0.7
340.13077	3.3
341.13809	7.3
345.13336	1.5
348.09671	0.7
351.12030	1.9
355.15381	11.8
356.16159	12.7
363.12027	8.1
363.16260	0.9
364.12573	1.0
372.15894	0.8
377.13571	2.6
378.14331	8.0
379.11362	2.1
379.15222	2.2
387.17978	9.5
388.18454	0.7
394.14008	4.1
409.16190	40.8
410.16467	2.1
411.32791	1.3
421.31125	2.3
429.33377	0.7
439.31992	1.6
457.33038	2.4
457.47269	0.6
483.35065	0.5
485.36261	0.8
495.35016	0.8
501.36035	0.8
503.37332	1.6
513.35858	8.7
514.35992	1.1
531.19885	100.0
531.36249	5.0
532.20282	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32507	1.0
53.03937	3.5
55.01866	4.5
55.05512	2.2
58.55837	1.2
61.22629	1.0
67.05510	6.2
69.03432	8.8
69.07068	2.1
69.14347	8.3
71.04993	1.4
72.09180	0.9
78.26257	0.9
79.05489	16.4
81.07059	76.4
82.07414	1.2
83.04970	2.8
91.05480	16.2
93.07050	9.0
94.50784	0.9
95.04961	9.6
95.08611	17.3
97.02924	6.9
97.06506	2.5
98.23402	2.1
99.04462	2.4
103.05467	1.4
105.07056	7.1
106.60531	1.2
107.04964	3.3
107.08595	5.9
109.02840	1.4
109.06522	39.7
109.49154	1.2
110.06799	1.2
111.04411	1.6
111.08064	2.0
112.08403	1.0
115.05450	3.4
116.06249	1.2
117.07005	4.2
119.04935	2.7
119.08575	8.6
121.06490	6.6
121.10160	2.5
123.04407	2.3
123.08066	17.1
125.06031	1.8
125.09586	1.0
128.06215	4.2
129.07028	7.4
131.04910	1.2
131.08585	10.4
133.06496	5.0
133.10147	2.4
135.04414	2.2
135.08061	4.3
137.05978	100.0
138.06320	3.3
139.07442	1.4
141.06992	6.4
142.07791	1.9
143.08543	9.4
145.06470	6.7
145.10126	4.4
147.04442	1.1
147.08044	9.5
149.06041	2.4
149.09619	1.9
151.07559	3.7
152.06175	1.8
153.07005	2.0
154.07832	1.8
155.08530	8.7
156.09271	1.2
157.06438	5.1
157.10103	5.5
158.07347	1.2
159.04395	2.2
159.08040	7.8
159.11699	1.5
161.05960	4.2
161.09599	4.3
163.07494	2.1
165.05585	1.5
165.06950	4.1
165.09070	1.0
166.07741	1.7
167.08539	6.4
168.09357	1.6
169.06479	3.2
169.10133	8.0
170.07304	1.5
171.08054	9.0
171.11716	1.6
173.06003	1.9
173.09621	6.9
175.07573	5.9
175.11119	1.9
177.05458	1.3
177.09138	2.3
178.07765	4.4
179.07208	1.7
179.08551	6.1
180.09314	1.6
181.06477	3.3
181.08626	2.2
181.10133	9.2
183.08046	5.1
183.11638	5.2
184.08685	1.3
185.06015	2.8
185.09669	7.9
185.13229	1.5
186.10278	1.0
187.07556	5.9
187.11198	2.6
189.09079	5.6
190.07730	1.1
191.07074	1.2
191.08575	4.3
192.09367	1.4
193.08641	1.6
193.10123	8.7
194.10950	1.2
195.08040	7.5
195.11749	3.3
196.08765	2.4
197.05948	1.6
197.09634	7.5
197.13370	1.1
199.07535	8.1
199.11194	3.8
201.09109	4.3
202.07788	2.2
203.08632	1.8
203.10580	2.1
204.09303	1.7
205.06787	1.3
205.08482	1.9
205.10165	4.1
206.10777	2.2
207.08052	4.0
207.11668	6.1
208.08908	2.1
208.12408	1.1
209.09612	11.8
209.13263	3.1
210.10387	1.7
211.07541	4.9
211.11224	7.5
213.09077	9.5
213.12758	2.1
213.59633	1.0
214.09738	1.5
215.08675	2.3
215.10674	4.6
216.09346	2.0
217.08386	5.1
217.10190	3.1
218.07220	1.4
218.10794	1.2
219.08051	4.0
219.10022	2.1
219.11865	2.4
220.08774	2.0
220.12456	1.9
221.09726	7.5
221.13246	3.4
222.10263	2.2
223.07541	3.0
223.11223	5.9
223.14685	1.3
225.09084	5.2
225.12703	3.0
226.09790	1.2
227.07059	1.4
227.10660	4.5
227.14114	1.2
228.11360	1.4
229.08360	2.0
229.10281	2.0
229.12213	2.2
230.10811	2.2
231.08052	1.6
231.10045	3.0
231.11865	2.8
232.08902	2.4
232.12422	1.6
233.09746	8.4
233.13416	1.9
234.10335	5.2
235.07529	2.1
235.11266	6.2
235.14825	2.4
237.09132	4.6
237.12764	3.1
239.10655	3.9
239.14250	1.6
241.08607	1.5
245.09689	1.8
245.13312	5.0
246.10345	2.0
247.07507	1.9
247.11162	3.3
248.11913	2.8
249.09134	3.8
249.12996	7.0
250.09825	1.6
251.10677	5.7
251.14241	3.1
252.11433	4.7
253.08759	1.2
253.12190	4.6
253.15872	1.1
255.10205	1.2
255.13759	2.1
258.10309	1.9
259.11139	2.7
260.08237	1.2
260.11868	2.1
261.09058	4.5
261.12833	5.1
262.09845	6.0
262.13354	1.1
263.10721	4.9
263.14209	6.6
264.11105	1.3
265.12231	4.6
267.10297	1.2
267.13818	2.5
269.11835	1.5
271.11124	2.1
273.12750	6.6
274.13507	1.6
275.10559	3.4
275.14383	2.0
276.11395	2.7
277.12180	3.9
277.15247	1.8
279.10266	4.0
279.13803	5.9
280.10880	4.5
281.11728	4.1
281.15338	5.8
283.11057	1.8
283.16788	1.4
286.09940	1.8
287.10678	2.4
287.14124	1.3
289.12454	5.0
289.15372	1.7
291.10477	1.5
291.13785	8.7
292.14447	1.7
293.12097	2.0
293.15408	2.6
294.12549	1.7
295.13260	2.9
295.16727	1.5
296.14047	2.4
297.11450	2.0
297.14999	1.4
301.12268	4.7
305.11905	1.3
305.15332	2.1
307.13507	5.3
307.16455	1.5
309.11395	1.6
309.14822	9.5
311.16608	2.4
315.13736	1.3
319.13293	7.4
320.13937	1.5
321.11313	2.0
321.14783	1.8
323.12857	1.8
323.16415	2.8
325.14288	4.0
325.17917	1.4
327.16013	2.5
333.14780	1.8
335.16422	2.6
337.14417	14.5
339.12271	1.9
340.13129	2.1
351.15933	1.8
353.17615	1.8
355.15442	10.5
357.14938	1.5
361.14136	2.6
361.18237	1.3
367.15417	4.0
369.17343	2.0
371.16385	4.7
375.15805	2.4
379.15326	6.4
385.16330	1.7
389.17444	8.7
391.19150	1.9
393.16818	4.0
397.16473	13.7
398.16684	1.7
399.15814	6.5
405.20853	1.7
407.18484	8.7
409.20096	1.9
411.18356	1.5
415.17618	3.8
417.16934	19.4
418.17215	2.5
421.20108	2.4
423.17792	6.3
425.19565	3.6
431.18561	2.9
433.19916	5.1
435.18027	87.9
436.18512	7.7
437.19662	1.9
439.21048	1.6
441.17865	2.2
449.19666	6.0
451.21182	12.0
453.19092	57.0
454.19241	6.1
455.24283	2.3
459.17712	5.4
465.18845	1.2
467.20667	3.0
469.22284	3.8
471.20041	17.6
477.13489	1.5
477.19092	14.1
483.20093	1.2
495.20135	29.9
496.20190	3.8
513.21112	17.0
514.21442	1.8
531.21356	1.7
531.27301	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22944	1.6
53.03945	4.8
55.01883	5.2
55.05505	6.2
55.90800	1.6
57.03445	3.8
58.90903	1.9
64.79951	1.7
65.03921	2.4
67.05502	12.3
69.03426	13.3
69.07063	5.2
71.04979	2.8
79.05493	22.7
81.03413	2.2
81.07058	90.1
82.07395	2.1
83.04982	6.5
83.08612	4.8
85.02905	2.2
85.06548	3.0
91.05476	21.5
92.05795	1.9
93.07055	16.1
95.04961	12.3
95.08600	13.5
97.02901	6.6
97.06535	7.8
98.23370	3.5
99.04450	6.6
103.05501	3.1
105.07037	19.5
107.04939	5.8
107.08597	13.7
109.02895	4.4
109.06523	31.4
109.10143	5.7
111.04443	6.9
111.08098	4.1
115.05480	3.4
117.07024	8.3
118.06541	7.8
119.04940	5.3
119.08588	13.5
121.06512	11.3
121.10144	4.4
123.04440	7.6
123.08018	8.7
123.11671	3.9
124.70604	1.7
125.06003	3.8
125.09653	3.0
127.03876	2.7
128.06215	5.6
129.06998	7.9
130.06528	5.8
131.04921	2.5
131.08571	9.6
132.08105	8.5
133.06476	6.5
133.10133	6.3
135.04471	3.1
135.08064	7.5
135.11728	5.1
137.05977	100.0
137.09593	2.3
137.13187	2.6
139.03905	3.3
139.07495	4.9
141.06989	7.6
142.06595	3.1
142.07851	2.8
143.08539	12.4
144.08060	5.6
145.06474	12.5
145.10107	9.8
146.06003	22.4
147.04420	4.8
147.08046	13.3
147.11700	3.6
149.05995	10.0
149.09642	4.1
149.13301	3.8
151.07588	5.7
153.05530	4.8
153.06973	3.8
155.08551	18.0
156.09335	2.3
157.06479	4.8
157.10132	8.4
158.07281	2.9
159.08031	11.1
159.09206	19.9
159.11691	3.3
161.05986	10.9
161.09634	6.2
161.13283	1.9
163.07530	3.9
163.11145	2.3
165.05505	4.8
165.07002	9.6
166.07732	3.7
167.07066	5.1
167.08569	10.2
168.09283	3.4
169.06442	4.3
169.10106	6.1
170.05963	4.2
170.07289	2.9
171.06627	3.0
171.08063	10.6
173.05963	2.8
173.09592	10.9
175.07547	7.8
177.05511	8.5
177.09096	3.1
178.07816	4.9
179.07074	3.9
179.08562	10.0
180.09329	3.8
181.06453	5.1
181.10065	13.5
182.07259	2.2
183.06578	2.1
183.08035	9.5
183.11691	6.7
185.07213	3.0
185.09660	5.7
185.13342	2.0
187.07535	4.9
188.07062	33.9
189.07359	3.5
189.09122	4.9
191.06995	4.3
191.08629	4.1
191.10609	2.9
192.09340	5.5
193.06651	1.8
193.08598	3.2
193.10147	13.0
194.10870	2.3
195.08055	7.5
195.10051	1.7
195.11717	8.0
196.08751	4.8
197.09604	10.1
197.13284	2.5
199.11221	5.3
201.09108	15.0
202.07782	4.6
203.07024	19.1
203.08624	5.5
203.10443	3.0
204.09285	4.2
205.06532	2.5
205.09958	14.2
206.07307	2.0
207.08000	6.3
207.11717	11.9
208.08806	3.0
209.09622	8.2
209.13237	5.0
210.10379	3.5
211.07591	3.5
211.11169	7.7
213.09166	5.7
213.12772	2.1
215.08711	2.9
215.10620	2.8
216.09265	2.1
217.10176	6.9
218.10860	4.3
219.08112	4.0
219.11661	8.2
219.17517	2.7
220.08717	3.9
220.12425	2.3
221.06044	3.0
221.09581	10.4
221.13260	4.6
222.10384	4.4
223.11145	9.9
224.08345	3.0
224.11768	1.9
225.09106	7.1
225.12799	6.5
227.10654	4.3
229.10130	5.1
229.12144	2.4
230.11031	4.3
231.07947	2.9
231.11659	4.8
232.08911	2.6
232.12392	2.1
233.09569	8.1
233.13229	5.3
234.10365	5.0
235.07585	2.3
235.11246	12.8
235.14790	3.6
236.11842	3.9
237.09079	5.5
237.12776	8.7
237.16348	3.3
239.10660	7.2
239.14162	3.5
241.12241	3.0
242.10857	2.8
243.11902	3.3
245.09550	13.5
246.10086	2.7
247.11180	7.7
248.11885	3.1
249.09010	4.3
249.12808	6.0
249.16570	2.0
250.09918	3.1
250.13567	2.6
251.10735	8.0
251.14323	7.0
253.08545	4.3
253.12251	9.9
255.13829	2.7
260.11847	3.0
261.12662	6.3
263.10660	9.4
263.14224	4.9
264.11441	6.0
264.14810	2.1
265.12231	6.1
265.15866	6.0
267.13901	3.3
273.12833	3.8
275.10562	2.9
275.14285	7.5
277.12216	5.6
277.15689	3.6
278.11786	5.4
278.16428	1.9
279.13824	3.4
281.11749	5.2
283.13419	3.6
285.11151	3.2
287.14319	4.1
290.11682	3.6
291.13773	2.3
293.12106	3.4
293.15344	8.0
295.13196	2.3
295.16916	2.8
303.10269	3.8
303.13742	4.7
305.15244	3.0
309.15051	3.0
311.16495	5.2
321.14804	7.3
323.16714	2.0
327.12381	4.4
335.16589	2.5
336.12198	9.9
339.12228	2.6
339.15857	7.2
353.14706	3.7
355.15717	2.4
357.17154	7.0
369.16965	5.5
379.11459	4.1
387.18161	2.4
389.17371	3.8
391.18976	8.1
392.19910	3.3
393.16660	2.1
397.16553	3.8
401.17383	4.3
402.18414	3.6
403.18970	4.2
407.18381	7.1
409.20120	9.3
415.17746	3.2
419.18488	36.3
420.19357	11.3
421.20071	8.7
425.19727	2.6
431.18369	6.3
433.19733	7.5
437.19614	82.5
438.20038	15.5
439.20984	6.3
441.16983	3.2
449.19412	11.6
451.21561	3.0
455.20587	25.6
456.21283	2.9
459.18085	4.5
459.31143	3.4
467.20685	15.5
469.18683	2.6
477.18903	10.1
485.21057	9.0
495.20123	16.4
513.21167	10.8
531.23267	7.7
531.38873	6.0
532.23138	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01609	0.2
51.02387	0.6
51.05595	0.1
53.03947	1.5
55.05501	0.2
66.65092	0.1
71.31406	0.2
77.03899	0.7
83.04967	0.8
93.07040	0.1
95.04964	2.0
95.08630	0.1
102.04684	0.5
103.05467	49.6
104.05783	0.9
105.04498	0.8
131.04926	100.0
132.05255	2.3
135.11655	0.1
143.08560	0.1
144.31607	0.2
144.65547	0.1
156.72528	0.1
159.11668	0.1
172.31563	0.1
193.92862	0.1
203.01021	0.1
279.10098	0.3
281.08200	0.2
295.13287	0.2
298.08362	0.2
305.11874	0.1
309.14984	0.2
313.10580	0.2
317.10181	0.2
323.12775	0.4
327.12149	0.3
332.12549	0.3
337.14270	0.6
338.15247	0.3
355.15482	0.3
359.14804	0.2
369.16928	0.8
370.17664	0.4
386.17343	0.1
401.19595	3.1
402.20346	0.3
464.28613	0.6
531.23456	0.5
531.36572	0.1
559.58917	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.5
53.03941	1.5
54.31698	0.2
55.05503	0.2
69.07098	0.2
69.32479	1.5
77.03940	0.7
91.05473	0.3
95.04984	2.0
99.81073	0.2
102.04655	0.4
103.05467	46.4
104.05796	1.1
105.04502	0.8
107.69546	0.2
109.63123	0.2
118.18194	0.2
131.04926	100.0
132.05264	2.9
159.08028	0.3
221.11719	0.3
236.14136	0.4
241.08434	0.3
253.08635	0.4
267.06772	0.4
267.10187	0.6
269.07889	0.2
277.12503	0.2
281.08240	0.4
283.06046	0.2
295.09634	0.3
298.08139	0.4
299.09027	0.3
300.10223	0.2
301.10455	0.2
309.10791	0.3
309.14560	0.3
313.10687	0.3
315.55197	0.2
317.10013	0.3
318.11017	0.5
323.12573	0.9
327.12125	0.5
328.12952	0.3
331.11795	0.3
332.12497	0.9
333.12970	0.2
337.14108	0.7
340.12839	0.3
341.17896	0.2
343.11661	0.3
355.15222	0.5
359.11011	0.3
359.15079	0.5
363.12100	0.3
369.16910	1.1
370.17667	1.0
371.14615	0.3
387.17810	0.4
394.13843	0.3
399.18085	0.3
401.10394	0.3
401.14728	0.5
401.19580	6.0
402.19748	0.5
409.16223	12.3
410.16443	0.9
427.17517	0.3
429.13074	0.3
443.14456	0.5
457.15884	0.3
462.16656	0.3
463.17065	0.4
475.17236	0.7
500.21445	0.2
531.23810	4.9
532.23846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
52.54309	0.2
52.58979	0.2
53.03946	1.6
55.05536	0.2
57.07064	0.2
67.05505	0.5
69.07110	0.3
69.07429	0.7
69.07831	1.2
70.06604	0.3
74.09712	0.8
75.94713	0.2
77.03921	0.9
81.03410	0.3
81.07069	0.6
82.77280	0.2
88.07639	0.3
91.05470	0.5
93.07025	0.3
95.04974	2.0
95.08627	0.4
102.04667	0.4
103.05468	50.3
104.05788	1.3
105.00124	0.2
105.04519	1.2
105.07022	0.4
107.08577	0.3
117.07011	0.2
119.08658	0.3
121.06479	0.2
124.58332	0.3
131.04926	100.0
132.05264	2.1
144.08130	0.4
145.02875	0.2
145.10176	0.3
159.11865	0.2
177.05438	0.6
181.08589	0.3
190.31827	0.2
197.09726	0.2
203.10564	0.3
216.34738	0.2
256.26294	0.7
257.26691	0.7
263.02701	0.2
309.82840	0.2
316.09354	0.2
331.11737	0.6
339.12488	0.2
346.14447	0.2
353.13666	0.3
354.14587	0.3
385.16452	1.6
399.17664	0.4
401.19434	0.3
479.04163	0.3
513.29578	0.6
531.22717	1.7
531.30304	0.8
531.38330	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.2
51.02356	0.7
52.40505	0.1
53.03951	1.3
57.87892	0.1
67.05487	0.2
69.07079	0.2
69.56290	0.6
74.45185	0.1
77.03922	0.7
81.03413	0.1
91.05477	0.3
95.04974	2.0
98.78697	0.1
98.98375	0.1
102.04680	0.5
103.05469	51.1
104.05803	1.3
105.04488	0.9
105.07043	0.2
117.07011	0.3
129.06966	0.2
131.04927	100.0
132.05255	2.5
144.08090	0.2
167.07068	0.2
173.09657	0.2
174.06787	0.2
189.09145	0.2
199.11011	0.1
209.64432	0.1
227.07025	0.1
233.09575	0.3
255.06726	0.2
261.08957	0.2
262.09814	0.2
263.06998	0.4
263.10611	0.2
264.07687	0.2
265.08618	0.2
265.12146	0.2
277.08530	0.2
278.09424	0.4
279.10110	0.6
291.10281	0.2
292.10922	0.2
293.08316	0.2
293.11679	0.5
295.09500	0.3
295.13010	0.2
296.10498	0.2
301.10620	0.2
306.08844	0.2
307.09650	1.2
307.13007	0.2
308.10403	0.2
313.10736	0.2
317.10254	0.2
321.11182	1.4
322.11880	1.0
323.09222	0.3
323.12720	0.6
327.12228	0.5
328.12830	0.2
331.11838	0.2
332.12497	0.4
336.13446	0.3
337.14252	0.7
338.11304	0.2
338.15109	0.3
339.12195	0.9
352.12851	0.2
353.13834	1.6
354.14474	1.2
355.15262	0.4
359.14856	0.4
367.15347	0.4
369.17096	0.8
370.17706	0.6
385.16400	1.3
386.16797	0.3
401.19611	2.8
402.19537	0.2
480.43457	0.1
500.21475	0.2
531.23639	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.0
55.01876	4.8
55.05513	4.8
57.02780	1.9
57.03435	3.9
57.44943	2.0
67.05511	16.1
69.00846	20.2
69.03431	10.5
69.07067	7.3
70.06622	1.8
71.04993	2.7
79.05493	15.2
81.03415	3.3
81.07050	25.0
83.04982	14.2
85.02901	4.8
85.06539	4.1
89.76000	1.8
91.05476	25.7
93.07034	26.5
95.04974	14.0
95.08617	27.3
97.02898	6.0
97.06516	4.5
97.10168	2.4
99.04469	1.9
103.05392	2.1
105.07033	27.7
107.04952	3.1
107.08590	16.1
109.06505	8.4
109.10160	6.5
111.04456	8.0
111.08074	8.3
115.05483	2.7
117.07045	7.6
119.04976	3.5
119.08554	17.7
121.06524	18.1
121.10154	7.7
122.07246	13.2
123.04489	6.3
123.08083	21.4
123.11720	5.0
127.03947	2.1
128.06274	6.2
129.07042	10.8
130.07855	2.4
131.04877	2.6
131.08568	21.0
133.06487	4.3
133.10132	11.5
135.04431	4.5
135.08031	10.2
135.11728	3.7
137.05956	8.7
137.09604	2.9
139.03923	3.0
139.07553	7.8
141.07001	4.3
142.07788	8.0
143.08563	12.5
145.06497	4.8
145.10138	12.9
147.04352	2.9
147.08070	8.3
147.11723	7.2
149.05984	4.2
149.09634	6.7
149.13297	2.6
151.03723	2.1
151.07539	2.4
153.05548	3.2
153.07054	3.6
155.08553	10.9
157.06445	2.5
157.10143	10.3
158.07300	2.3
159.08051	17.2
159.11668	4.5
161.06009	9.4
161.09607	10.8
161.13219	3.6
163.07524	2.3
165.05484	7.1
165.07019	9.6
165.09109	2.3
166.07857	2.8
167.07164	4.5
167.08578	7.2
168.09363	3.2
168.59996	2.3
169.10126	6.9
171.08029	15.1
171.11708	3.9
172.08879	2.4
173.09587	19.2
175.07559	5.6
175.11201	4.7
177.09087	2.8
178.07774	2.8
179.07143	3.3
179.08586	7.0
180.09373	5.8
181.06474	2.2
181.10117	9.2
182.10854	2.4
183.08052	4.5
183.11749	7.6
185.08215	2.7
185.09584	11.5
185.13245	4.2
187.07535	7.2
187.11230	3.1
189.09158	6.3
190.86218	3.1
191.10725	3.1
193.10179	9.6
194.10896	4.5
195.08031	2.8
195.11687	16.6
197.09596	5.5
197.13286	5.4
198.10561	2.8
199.07542	2.4
199.11363	3.8
201.09108	20.0
201.16370	4.5
203.10698	4.2
204.09346	2.5
205.10217	4.3
207.11699	5.5
208.08861	3.5
209.09659	9.1
209.13361	6.0
211.07608	2.5
211.11209	7.9
213.12814	5.1
215.08606	3.2
215.10629	2.2
216.09253	2.8
217.10231	3.0
219.10004	4.3
219.11861	3.8
221.09608	4.9
223.11217	11.6
225.09167	4.4
225.12759	6.2
226.10034	2.1
227.10704	2.9
231.11757	4.6
233.09583	4.4
233.13185	3.9
234.10490	2.4
235.11214	6.7
237.09067	3.1
237.12798	6.5
239.10652	13.0
241.12276	22.2
243.11954	3.1
245.13396	4.7
247.11205	3.5
247.14896	2.9
248.11996	2.7
249.12773	5.1
251.10707	12.0
253.12283	6.8
256.12625	3.5
257.13504	3.2
258.10336	2.6
259.11212	4.3
260.11932	2.6
261.12820	5.5
263.10605	3.6
263.14359	4.2
267.13992	3.1
270.13889	2.5
271.11331	2.3
271.14813	4.1
272.15387	2.3
273.12634	3.0
275.14389	5.2
276.11447	2.9
277.16006	2.5
289.12207	2.7
289.15768	3.3
293.15433	2.9
299.14371	5.0
301.12381	3.0
301.15652	2.7
303.13840	4.5
314.16641	2.8
315.17670	2.6
327.13855	3.1
331.16809	2.6
333.24139	3.1
337.15033	2.4
339.16122	2.9
342.68365	2.1
345.14859	3.4
357.16995	6.9
360.17148	3.1
367.20056	2.4
379.11725	2.2
381.17120	4.7
395.20187	6.8
399.11185	2.7
399.19717	2.6
413.21014	12.6
415.23016	3.1
419.18835	2.5
423.19748	4.4
424.81882	2.4
431.22144	10.9
433.24039	4.7
441.20615	22.3
442.21115	2.8
443.19714	2.4
449.23111	5.5
450.23712	2.6
459.21628	58.0
459.31055	4.5
460.22290	5.1
477.22693	100.0
478.23062	7.8
495.23831	32.1
496.23840	2.9
513.24518	17.5
531.25800	35.6
542.56372	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.8
55.01877	1.5
55.05515	1.6
58.32451	0.7
60.82712	0.7
65.03923	1.2
67.05492	2.7
69.03431	5.7
69.07048	1.0
71.04990	0.9
71.31185	0.7
75.25480	0.7
78.78927	0.7
79.05497	8.6
81.03417	1.1
81.07061	31.5
83.05000	0.8
85.06544	1.0
91.05486	7.2
93.07043	5.7
95.04976	5.8
95.08617	4.6
97.02885	2.7
97.06540	1.2
99.04464	3.8
103.05448	1.0
105.07030	7.3
107.04958	1.6
107.08604	5.5
109.02875	0.8
109.05790	1.1
109.06524	20.7
109.10141	1.9
110.01426	0.7
110.06847	0.9
111.04430	1.5
111.08058	1.7
115.05434	1.9
117.07050	4.2
119.04964	0.9
119.08591	6.2
121.06509	4.5
121.10133	4.1
123.08071	5.2
125.06011	2.2
127.03918	1.7
128.06203	1.9
129.07013	4.3
131.08565	6.4
133.06479	2.5
133.10136	3.8
135.04396	1.1
135.08064	2.7
135.11761	1.1
137.05983	43.8
137.09657	1.3
138.06320	1.2
138.75864	0.7
139.07578	1.5
141.06993	3.0
142.07756	1.5
143.08577	8.1
145.06477	3.0
145.10120	4.3
147.04446	0.9
147.08063	9.0
147.11717	1.5
149.05936	1.0
149.09644	2.5
151.07527	1.4
153.05507	1.7
153.06902	0.8
155.08546	4.7
156.09224	1.7
157.06485	2.1
157.10100	4.7
159.08046	14.8
159.11702	2.8
161.09637	8.0
161.13222	1.1
162.10313	0.7
163.07597	1.7
163.11215	1.0
165.05518	1.3
165.06999	2.2
165.09113	1.4
167.08566	3.5
169.05023	1.2
169.10092	6.1
171.08040	5.1
171.11644	3.6
173.09645	7.9
175.07588	1.9
175.11205	2.1
177.09076	1.1
178.07735	1.4
179.08537	3.3
180.09312	1.8
181.06454	0.9
181.10121	6.4
182.10741	0.9
183.08040	1.9
183.11685	3.9
185.09525	3.9
185.13274	2.0
186.10429	1.2
187.07585	1.1
187.11122	4.0
189.09126	1.3
189.12869	1.2
190.07922	0.9
191.08501	1.2
192.09395	1.4
193.08566	1.4
193.10133	4.6
194.10901	1.4
195.08072	2.4
195.11732	4.7
196.12198	0.9
197.09616	2.1
197.13275	2.5
199.07594	1.6
199.11186	3.3
199.14890	0.8
201.09132	1.7
201.12819	1.1
203.10768	1.2
205.10109	2.0
205.12001	1.0
206.10899	1.0
207.10020	1.1
207.11702	4.7
208.12378	0.8
209.09653	1.7
209.13232	4.0
211.11214	3.7
211.14774	1.2
212.11885	1.2
213.09137	1.0
213.12766	2.4
214.13454	0.8
215.10611	0.8
215.14273	1.1
216.09363	1.1
217.08545	2.9
217.10339	1.4
217.12146	1.0
218.10896	2.5
219.11737	2.5
220.12495	1.0
221.09636	1.8
221.13272	3.2
222.13976	1.0
223.11290	3.7
223.14842	2.5
224.11763	0.7
225.12755	2.9
225.16211	1.0
226.13426	1.0
227.14430	1.0
229.12195	1.2
231.11711	2.3
232.12527	1.5
233.09599	1.1
233.11302	1.0
233.13452	4.3
234.13812	1.2
235.11194	2.3
235.14813	3.0
236.11792	1.6
236.15599	1.0
237.09120	0.9
237.12746	4.0
237.16409	1.7
238.13484	1.0
239.10686	1.4
239.14386	1.8
241.15898	0.8
243.13763	1.0
244.12384	1.6
245.13322	2.1
246.10370	1.0
246.14050	1.2
247.11096	1.6
247.14902	2.5
248.12183	0.8
249.12848	3.8
249.16466	1.4
250.13370	1.6
251.10614	1.5
251.14337	19.1
252.14920	3.5
253.12238	1.2
253.15831	3.7
259.14807	1.0
261.12674	1.8
263.10818	0.9
263.14288	5.5
263.17950	1.3
264.15094	1.2
265.12402	0.8
265.15808	3.6
267.17377	1.3
269.15262	1.0
275.14398	1.9
277.15887	3.0
279.13895	1.3
279.17435	2.1
280.18234	1.6
281.11655	1.2
281.15359	2.3
281.18936	2.7
283.17017	2.2
289.11874	0.8
289.15646	0.7
291.13647	2.9
291.17380	2.6
292.17950	1.6
293.15225	2.2
293.18594	1.5
295.16888	1.6
295.20245	0.8
303.13885	1.0
303.17529	1.1
309.14795	4.8
309.18509	4.6
311.20068	0.9
315.17429	0.9
321.14728	1.1
323.20023	1.0
327.19565	3.6
339.19601	1.9
349.18039	1.2
351.19345	0.8
371.20230	0.9
389.21246	1.3
403.22833	1.2
407.22269	22.7
408.22403	2.5
409.24026	1.6
413.21140	1.0
415.21179	1.3
419.22354	12.2
420.22525	1.2
421.23682	3.1
425.23230	100.0
426.23669	7.4
431.22134	1.9
433.22537	1.7
435.17816	3.7
437.23367	23.0
438.23535	2.2
439.24619	1.3
441.26270	2.3
447.21625	7.3
449.23438	9.5
453.19165	2.4
455.24438	4.6
465.22818	8.3
467.24460	17.4
468.24307	1.1
471.18845	1.4
477.22754	1.2
479.21051	1.2
483.23715	6.3
495.23654	2.9
501.24948	9.4
513.24493	3.2
531.26337	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
53.25394	0.7
55.01870	2.2
55.05521	4.7
57.03422	1.9
57.07071	1.2
62.24561	0.6
65.03934	1.3
67.05499	7.6
69.03399	13.9
69.07067	4.1
71.04983	2.8
73.02927	3.9
79.05493	8.8
81.03413	1.4
81.07054	25.5
81.89417	0.6
83.04989	6.7
83.08604	1.3
85.02901	1.5
85.06525	2.2
86.83121	0.7
87.04447	0.8
91.04956	0.6
91.05476	18.9
92.05780	0.7
93.03407	0.8
93.07038	13.8
95.04959	10.7
95.08595	10.4
97.02885	9.9
97.06520	6.0
99.04453	2.8
103.05466	2.1
105.07030	18.1
107.04940	2.5
107.08594	12.4
109.02894	1.2
109.06516	26.3
109.10133	7.3
111.04418	1.7
111.08075	4.5
113.05983	1.2
115.03931	2.3
115.05450	2.6
117.07018	8.2
119.04945	1.1
119.08578	18.6
121.06474	4.9
121.10130	8.0
122.06779	0.6
123.04482	0.9
123.08072	8.7
123.11718	1.7
125.05968	6.4
125.09653	1.3
127.07529	1.0
128.06223	8.2
129.07014	7.7
130.07742	2.1
131.04886	1.2
131.08556	14.1
133.06485	4.2
133.10127	14.1
135.08047	5.7
135.11673	2.0
137.04962	1.4
137.05972	18.9
137.09604	5.2
139.07558	2.2
141.05388	0.8
141.06984	9.6
142.07802	4.9
143.08569	19.2
144.09299	2.4
145.06480	5.3
145.10117	17.7
147.08047	9.8
147.11653	4.5
149.05940	0.9
149.09608	7.0
151.07520	1.1
151.11169	1.1
152.06236	0.9
153.05408	1.5
153.06987	1.5
154.07750	2.0
155.07065	2.2
155.08542	10.6
156.09331	2.4
157.06461	2.1
157.10133	15.5
158.07249	1.9
159.08040	8.1
159.11687	9.3
160.08844	1.4
161.05975	1.6
161.09616	15.8
161.13225	1.7
163.07513	2.0
163.11211	3.7
165.05777	1.1
165.06989	4.3
165.09099	14.3
166.07750	2.9
167.07146	1.5
167.08556	6.8
167.10684	1.7
168.09277	2.2
169.10124	11.4
170.10854	0.7
171.08029	6.5
171.11710	7.1
172.08871	0.8
173.09618	10.8
173.13286	3.3
175.07549	2.5
175.11226	5.0
177.09099	2.1
178.07774	1.7
179.08548	6.4
179.10657	3.2
180.09311	2.8
181.10114	9.8
182.10995	1.3
183.08029	2.8
183.11668	8.6
184.08788	0.8
185.09607	7.7
185.13275	3.2
187.07590	1.6
187.11183	9.8
189.09085	4.5
189.12778	3.1
191.08727	1.5
191.10651	3.6
192.09334	3.2
193.10126	7.2
194.10883	3.4
195.08009	2.2
195.10312	0.7
195.11722	7.9
196.08890	1.5
196.12425	2.6
197.09607	5.2
197.13280	7.6
198.10274	0.8
199.11165	5.6
199.14850	1.6
200.11832	1.0
201.09164	1.8
201.12762	2.4
203.10663	3.7
203.14519	0.7
204.09343	1.5
205.10306	3.8
205.12022	1.2
206.10841	3.4
207.08185	1.2
207.10081	1.9
207.11795	6.4
208.08763	0.7
208.12488	1.4
208.85568	0.8
209.09720	3.7
209.13295	8.3
210.10391	1.0
210.13956	1.2
211.11218	5.2
211.14789	3.5
212.11830	0.8
213.12759	3.9
215.08644	1.5
215.10677	1.6
215.14259	2.4
216.09285	0.8
217.10172	1.8
217.12180	1.3
218.10886	2.4
219.11729	4.7
219.17488	0.8
220.12445	2.6
221.09651	1.4
221.11407	1.4
221.11972	1.3
221.13397	6.0
222.10498	0.9
222.13892	1.2
223.11206	4.0
223.14734	5.0
224.11890	1.2
225.12759	5.9
225.16341	2.3
226.13379	1.0
227.10779	0.9
227.14198	3.6
228.11440	1.1
228.15080	1.0
229.10188	1.6
229.12271	1.2
230.10870	2.6
231.11627	2.7
232.12473	3.2
233.09679	1.5
233.13213	4.5
234.10242	1.7
234.13803	1.5
235.11128	2.4
235.14807	6.7
236.11977	0.8
236.15555	1.7
237.12761	3.7
237.16374	3.3
239.10548	1.4
239.14363	3.4
239.17979	1.2
240.14879	0.9
241.12239	1.2
241.15872	1.4
243.13876	1.1
243.98380	0.8
245.13438	5.4
246.13956	1.8
247.11104	1.3
247.14822	2.8
248.11954	1.6
248.15544	1.0
249.12724	2.6
249.16353	3.4
250.16676	1.1
251.14255	5.1
251.17909	1.1
253.12372	0.8
253.15833	4.0
253.19667	0.9
255.13795	1.5
255.17487	0.9
257.13162	1.1
258.13937	1.2
259.14880	2.1
260.11719	1.2
260.15555	0.9
261.12637	1.8
261.16388	1.8
262.13513	1.4
263.14600	5.7
263.17944	3.2
264.15057	1.7
265.12268	1.8
265.16052	3.4
265.19434	2.7
267.12131	9.9
267.17389	1.1
271.14822	1.1
273.16437	1.8
274.17212	1.3
275.14240	2.3
275.17926	3.4
277.15936	2.3
277.19342	1.0
278.16528	1.0
279.14124	0.8
279.17447	1.9
281.15314	3.7
281.19080	2.2
283.16879	2.6
283.20325	1.1
285.16135	0.9
287.14081	0.9
289.15814	0.9
291.17386	3.5
293.15659	1.5
293.18933	8.1
295.13159	0.8
295.16867	1.9
295.20404	0.9
297.18381	0.9
303.17468	2.1
305.15399	1.7
305.18887	2.2
307.17044	0.9
307.20438	1.0
309.13394	2.1
309.18442	1.9
311.19965	9.7
312.20218	0.9
315.17456	1.5
317.08414	7.5
318.08743	1.4
321.18457	1.4
323.16534	1.4
323.20062	1.9
325.18073	1.6
331.16522	1.0
333.18365	2.6
335.20032	1.2
339.19540	1.7
341.17346	3.6
351.19458	1.2
353.21115	1.8
369.20602	0.9
371.22610	1.4
395.22351	0.8
397.23752	0.9
399.22321	1.1
401.21298	0.8
405.23956	0.9
407.22189	4.2
411.21384	1.1
417.24469	4.3
419.22272	5.8
421.23846	1.0
425.23178	26.7
426.23508	2.4
431.21799	1.2
433.22440	2.2
435.26065	5.4
437.23285	26.6
438.23712	1.0
443.24405	5.6
449.23260	2.9
453.22473	9.8
454.22757	0.8
455.24741	5.5
459.25461	2.1
465.22308	1.6
467.24506	7.4
469.25647	2.0
471.23801	35.8
471.30594	1.7
472.24005	3.7
477.26898	4.1
479.23737	1.0
485.24905	2.1
487.26871	2.1
495.23224	4.1
497.25333	1.6
503.26132	1.0
513.24896	10.0
531.13873	2.9
531.25726	100.0
531.34711	24.0
532.26392	11.4
532.34460	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2951
Annotation	Ganoderic acid M
Peak:m/z	Relative Intensity
53.03952	10.4
55.01871	7.9
55.05510	37.6
57.03426	3.4
57.07062	4.1
65.03947	8.1
67.05506	70.2
68.97583	3.0
69.03429	8.7
69.07071	23.5
69.81262	5.4
69.81623	10.4
71.01371	3.7
71.05000	5.1
79.05491	40.9
81.03435	7.8
81.07058	60.0
83.04983	73.8
83.08617	6.4
91.05482	66.8
92.05844	3.7
93.07045	82.6
95.04974	28.5
95.08607	94.3
97.02888	7.0
97.06541	12.1
99.04450	5.2
102.86056	2.6
103.05468	6.7
105.03406	11.4
105.07034	93.2
106.07383	5.5
107.04971	8.2
107.07873	3.3
107.08589	60.0
109.02877	5.8
109.06509	39.0
109.10153	40.8
111.04450	29.4
111.08084	18.8
113.02382	3.8
113.06019	4.3
115.05463	12.7
116.06239	4.0
117.07041	26.7
117.26887	2.4
119.04952	3.8
119.08585	100.0
120.08893	2.9
121.06498	19.0
121.10152	31.4
123.00771	10.0
123.04431	6.3
123.08071	33.5
123.11749	5.9
125.02449	3.0
125.09641	4.7
128.06219	20.1
129.06990	33.1
130.07793	8.9
131.04890	3.0
131.08575	50.3
133.06485	24.3
133.10132	39.9
134.69325	2.5
135.08069	26.4
135.11711	12.1
137.05998	14.3
137.09630	4.3
137.13324	2.9
139.07532	14.2
141.06979	21.4
141.09166	5.1
141.77849	2.5
142.07764	31.9
143.08562	57.6
144.09349	7.8
145.06476	10.6
145.10120	67.3
146.10457	2.9
147.08029	29.0
147.11673	27.5
149.09666	12.2
151.07547	12.4
153.07011	8.5
154.07764	11.0
155.03502	3.1
155.08572	40.6
156.09346	17.7
157.06544	7.3
157.10127	74.4
158.10747	3.1
159.08049	23.9
159.11691	46.2
160.12444	6.0
161.05908	2.6
161.09612	29.9
161.13269	13.7
163.07506	4.3
163.11194	4.5
165.05754	4.2
165.07056	12.6
166.07738	8.4
167.07285	4.3
167.08536	20.1
168.09308	14.5
169.10118	42.8
170.10847	9.4
171.08078	20.8
171.11705	39.9
172.08836	5.3
173.09636	25.7
173.13237	14.6
174.10222	4.2
175.07576	7.8
175.11176	15.3
177.09131	7.8
177.12663	3.0
178.07823	6.5
179.07135	5.4
179.08560	17.2
180.09399	10.6
181.10088	27.5
182.07307	3.6
182.10887	11.8
183.08090	10.2
183.11684	42.6
184.12369	6.0
185.09607	18.2
185.13222	28.7
186.10242	3.2
187.07629	3.5
187.11191	22.4
187.14885	7.5
189.09154	6.4
189.12769	7.5
190.87698	3.3
191.08746	4.5
191.10643	4.4
192.09399	9.1
193.08601	13.5
193.10172	22.9
194.10944	11.3
195.08072	8.8
195.11678	29.7
196.08914	5.5
196.12480	9.1
197.09567	15.1
197.13211	28.0
198.10310	4.0
199.07573	4.6
199.11198	19.7
199.14804	29.0
200.15475	4.5
201.09085	5.4
201.12709	18.9
201.16464	4.2
202.07927	3.8
203.08647	4.1
205.05023	3.6
205.10112	10.9
205.12012	3.0
206.10931	9.0
207.11717	27.6
208.09048	4.0
208.12495	10.0
209.09723	14.8
209.13199	20.9
210.10204	3.0
210.13885	7.3
211.07474	2.9
211.11160	19.9
211.14807	14.6
212.11871	3.8
213.09224	6.2
213.12737	13.9
213.16360	13.2
215.08669	3.7
215.10704	7.4
215.14340	6.3
217.10220	6.0
218.10907	4.9
219.11694	11.9
220.12335	3.9
221.09567	5.5
221.13318	14.2
222.13890	4.5
223.11235	14.1
223.14859	15.1
224.11961	4.8
224.15358	3.7
225.09201	4.6
225.12773	19.2
225.16371	10.6
227.10641	8.8
227.14227	15.5
229.10252	3.2
229.12352	5.4
229.15825	3.6
230.10925	4.2
231.11746	7.4
231.13853	3.3
232.12534	4.3
233.13280	7.1
234.13930	6.1
235.11102	8.1
235.14867	12.4
237.12775	10.4
237.16388	9.1
239.10605	6.4
239.14351	10.6
239.17975	6.3
241.15843	14.1
245.13274	5.2
247.14738	5.7
249.12752	5.0
249.16473	9.6
251.10629	3.9
251.14351	12.5
251.17877	5.8
253.12343	7.9
253.15976	8.6
253.19356	2.8
255.13905	4.1
257.15439	3.8
259.11224	3.5
259.14771	7.1
259.17050	8.5
261.16336	8.1
263.14304	7.0
263.17892	3.3
264.18515	3.7
265.12317	4.8
265.15860	9.1
265.19516	5.0
267.14053	3.2
267.17447	11.7
269.15521	2.9
275.14462	5.1
275.18060	3.9
277.12463	4.2
277.15878	8.9
279.13849	6.5
281.15451	4.2
281.18976	2.9
289.15738	3.7
291.17401	7.0
293.19019	4.3
295.16986	5.7
297.18661	3.5
301.15607	3.5
303.17407	4.0
307.16983	4.5
309.18643	4.1
314.19711	2.9
317.19180	3.6
319.16824	5.8
323.20050	9.3
325.18085	3.6
333.18176	3.5
335.20016	3.4
337.18051	2.9
339.23187	6.7
355.19308	3.8
363.23160	3.8
379.18784	3.4
379.26550	3.1
389.25204	3.6
399.23074	3.0
405.23846	2.9
407.25616	12.7
417.24142	8.2
418.24692	4.6
431.26077	3.7
432.26059	3.1
433.27393	7.6
435.25153	6.6
437.23087	4.0
442.24603	3.7
451.28671	4.3
459.25446	9.3
460.25830	3.7
461.27051	3.3
477.26318	18.8
478.26791	7.8
495.27335	7.3
496.27640	5.0
531.29218	8.4
531.36774	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61903	4.0
53.03951	8.1
55.01872	6.8
55.05518	34.9
55.79226	5.3
65.03931	7.8
67.05510	52.3
69.03438	13.0
69.07075	12.1
79.05494	32.5
81.07055	47.2
83.04983	54.4
83.08595	5.4
91.05478	43.2
93.07042	63.7
95.04974	20.5
95.08608	100.0
97.02898	5.2
97.06530	8.1
97.10171	6.0
103.05408	7.3
105.07029	79.4
107.04958	10.1
107.08603	65.2
109.02870	5.6
109.06525	26.5
109.10151	38.3
111.04440	22.5
111.08069	16.9
115.05457	11.2
117.07017	21.0
119.08587	83.1
121.06512	16.8
121.07455	3.8
121.10175	30.6
123.04410	6.4
123.08088	35.9
123.11699	7.2
123.87183	4.3
125.05979	8.4
125.09606	6.1
128.06229	16.2
129.07011	26.9
130.07771	11.3
131.04991	5.9
131.08588	43.9
133.06500	16.3
133.10132	40.6
135.04454	5.5
135.08044	24.5
135.11708	12.6
137.06021	11.1
137.09671	8.1
139.07558	13.8
141.07004	18.8
141.09103	9.0
142.07782	20.7
143.08571	49.1
145.06482	10.8
145.10129	67.5
147.08041	21.2
147.11688	24.0
149.09627	6.2
149.13301	5.1
151.07556	14.4
153.06921	6.5
154.07874	6.4
155.08525	38.8
156.09346	20.5
157.10121	53.8
159.08044	25.7
159.11700	42.1
161.06041	5.9
161.09656	27.8
161.13290	12.1
163.11232	6.9
165.07021	8.4
165.09073	7.1
167.08574	18.8
168.09303	10.2
169.10081	42.8
170.10707	8.3
171.08073	18.1
171.11688	30.0
172.08727	8.8
173.09613	26.5
173.13287	19.7
175.07570	12.4
175.11153	13.5
178.07817	7.3
179.08583	15.1
180.09225	6.0
181.10123	33.1
182.10808	12.5
183.08121	8.5
183.11696	40.3
184.12431	9.0
185.09698	14.3
185.13222	26.4
185.67757	4.4
187.07510	6.2
187.11169	20.7
189.09192	5.8
189.12686	11.8
192.09283	8.7
193.08606	9.5
193.10165	27.6
194.10907	11.3
195.08101	5.8
195.11674	32.5
196.12462	6.5
197.09691	22.1
197.13297	28.3
198.13879	5.5
199.11215	20.1
199.14825	19.4
201.09160	8.1
201.12773	15.2
201.16425	5.7
205.10175	11.1
206.10789	9.9
207.11696	30.3
207.13403	5.5
208.12395	9.7
209.09631	17.0
209.13223	29.3
209.38849	4.6
210.13730	7.8
211.11246	22.7
211.14832	17.6
212.11772	5.4
213.09131	10.5
213.12769	20.9
215.10675	8.8
215.14308	11.3
218.10806	4.5
219.11690	13.6
219.13826	6.3
220.12265	6.9
221.13249	31.4
222.13574	5.2
223.11214	19.5
223.14845	18.8
225.09148	8.0
225.12692	20.7
225.16408	10.0
227.10660	13.5
227.14359	6.2
229.12277	5.8
229.15875	8.2
229.27370	6.0
232.12440	7.7
233.13217	13.8
234.13940	6.6
235.11087	11.2
235.14870	15.9
237.12761	15.8
237.16406	12.1
239.14294	16.4
239.17897	6.2
241.12167	9.2
241.15916	9.0
245.13304	10.0
246.13683	5.3
247.14742	10.0
247.16959	7.1
248.12106	5.1
249.12624	5.1
249.16388	11.8
251.14334	14.4
251.17833	9.0
253.12248	12.9
253.15831	7.6
255.13806	7.5
260.08136	5.3
261.16351	12.8
262.17157	5.3
263.14313	15.6
263.18103	5.1
265.15851	9.5
267.13782	9.8
267.17465	11.9
275.17960	5.4
275.50452	5.3
277.15765	12.3
277.19525	9.3
279.13901	8.9
279.17352	13.0
281.15466	11.0
283.13351	5.1
287.17722	6.1
291.17523	7.8
293.18961	6.7
295.17029	7.3
297.18448	8.3
305.15341	5.3
307.17017	6.6
319.16959	6.0
321.18463	8.7
338.18555	5.5
375.23499	6.1
401.24908	5.7
407.25946	7.2
419.21356	5.2
419.25943	59.3
421.23724	74.4
435.24332	6.7
435.28949	19.4
436.26215	13.2
443.26059	11.2
445.23798	6.8
446.28000	5.5
454.27341	24.7
459.24979	9.4
460.25751	16.4
461.26743	15.2
464.28763	32.8
468.82834	6.0
477.26376	14.0
478.26831	16.1
479.27707	17.9
495.27164	10.5
496.27631	17.6
503.44870	5.5
513.28406	67.9
514.28296	7.3
531.23083	12.0
531.29681	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	13.4
55.05521	29.2
57.03426	6.1
60.42247	5.1
62.27726	5.2
64.41782	5.3
64.81814	5.1
67.05499	37.1
69.03434	69.5
69.07054	17.1
69.19955	46.2
71.04991	7.9
73.52458	5.2
79.05481	49.1
81.03418	11.7
81.07063	60.4
83.04987	32.1
83.08617	11.9
85.06551	8.4
88.48383	5.1
91.05472	59.1
93.07040	65.2
95.04958	23.1
95.08607	50.1
97.06519	18.8
97.10169	8.7
105.07023	69.1
105.74027	5.9
107.04973	6.2
107.08588	48.8
109.02872	23.1
109.06519	73.2
109.10143	19.9
111.04436	13.6
111.08081	17.8
115.05474	5.3
117.07001	22.6
117.46076	5.1
119.04952	14.1
119.08588	44.5
121.06502	21.8
121.10118	13.7
123.08067	31.5
125.05978	17.1
125.09621	20.8
128.06189	15.5
129.06981	20.4
131.04953	9.7
131.08553	45.7
133.06493	8.7
133.10132	43.1
135.08037	25.8
135.11674	16.9
135.73096	5.4
137.05974	11.2
137.09663	7.5
139.07553	46.0
141.06940	15.3
142.07771	13.6
143.08572	38.5
144.09247	6.8
145.06473	19.3
145.10121	45.3
146.10413	6.1
147.04428	11.9
147.08028	16.6
147.11678	21.5
149.09631	12.0
151.07498	8.6
153.06966	6.6
154.07736	6.9
155.08597	29.0
156.09134	6.2
157.06500	9.1
157.10153	49.2
159.08028	21.9
159.11743	31.2
161.05991	46.5
161.09570	14.7
161.13188	11.6
163.07558	9.7
163.11189	10.2
165.07114	7.7
167.08563	16.4
169.06522	8.1
169.08759	6.1
169.10133	25.6
171.08083	15.7
171.11736	26.1
173.05942	8.6
173.09595	31.7
173.13298	8.8
175.11177	12.2
177.09166	7.0
179.08473	13.1
181.06526	8.7
181.10124	21.1
182.10881	7.8
183.08058	16.2
183.11664	30.6
185.09621	16.0
185.13242	18.0
187.07565	9.5
187.11174	20.0
189.09048	10.2
192.09294	6.9
193.10124	20.6
195.07997	11.0
195.11688	28.7
197.09630	13.6
197.13206	19.5
199.11180	16.7
199.14854	7.8
205.10210	10.9
205.12238	6.5
207.11667	25.6
208.12509	6.9
209.07971	9.6
209.09750	7.9
209.13226	20.4
210.13789	8.0
211.11124	15.6
211.14888	13.5
213.09166	7.9
213.12733	6.6
213.16306	9.3
215.10803	7.2
219.11700	13.0
220.12354	11.1
221.09641	8.0
221.13255	17.3
222.13962	9.4
223.11153	15.3
223.14848	15.5
225.09151	8.6
225.12770	27.3
225.16240	8.9
227.10704	7.4
227.14336	15.8
229.12292	7.3
229.15833	6.6
231.11687	10.1
233.13348	13.2
235.11194	10.0
235.14957	13.3
236.15399	7.2
239.14290	11.6
241.12108	8.6
241.15903	6.5
243.13828	14.8
245.13341	9.2
247.14899	12.1
249.12679	7.5
249.16403	9.4
251.10652	7.0
251.14359	5.8
251.17937	7.9
257.15500	8.7
261.16293	8.2
263.14240	8.9
263.17798	8.5
265.12067	7.2
265.15982	11.0
273.15051	7.8
275.14218	12.5
277.12393	7.4
277.15729	10.1
279.13690	8.0
285.16400	6.7
289.14151	46.7
293.18832	7.1
295.16882	7.4
317.18906	9.6
319.20499	8.3
323.19962	7.3
327.15955	12.0
327.19553	8.1
359.19760	8.3
384.33051	6.3
389.24710	21.6
399.22409	5.5
407.25702	21.2
417.24323	32.0
421.23453	9.9
423.25031	14.8
425.19659	8.4
425.26624	13.9
431.25604	11.4
433.27283	12.1
435.25284	47.9
439.24411	27.9
441.25522	6.7
449.26804	14.0
451.28329	8.8
453.19797	11.8
453.26346	97.8
457.69043	6.4
459.25073	19.1
460.25879	10.3
467.27670	14.2
469.29373	9.7
471.20108	46.2
471.27304	100.0
477.26672	31.6
495.20596	9.0
495.27289	54.1
496.28046	6.9
513.21613	11.1
513.28479	45.2
514.28540	6.0
531.22736	51.7
531.29486	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	13.4
55.05521	29.2
57.03426	6.1
60.42247	5.1
62.27726	5.2
64.41782	5.3
64.81814	5.1
67.05499	37.1
69.03434	69.5
69.07054	17.1
69.19955	46.2
71.04991	7.9
73.52458	5.2
79.05481	49.1
81.03418	11.7
81.07063	60.4
83.04987	32.1
83.08617	11.9
85.06551	8.4
88.48383	5.1
91.05472	59.1
93.07040	65.2
95.04958	23.1
95.08607	50.1
97.06519	18.8
97.10169	8.7
105.07023	69.1
105.74027	5.9
107.04973	6.2
107.08588	48.8
109.02872	23.1
109.06519	73.2
109.10143	19.9
111.04436	13.6
111.08081	17.8
115.05474	5.3
117.07001	22.6
117.46076	5.1
119.04952	14.1
119.08588	44.5
121.06502	21.8
121.10118	13.7
123.08067	31.5
125.05978	17.1
125.09621	20.8
128.06189	15.5
129.06981	20.4
131.04953	9.7
131.08553	45.7
133.06493	8.7
133.10132	43.1
135.08037	25.8
135.11674	16.9
135.73096	5.4
137.05974	11.2
137.09663	7.5
139.07553	46.0
141.06940	15.3
142.07771	13.6
143.08572	38.5
144.09247	6.8
145.06473	19.3
145.10121	45.3
146.10413	6.1
147.04428	11.9
147.08028	16.6
147.11678	21.5
149.09631	12.0
151.07498	8.6
153.06966	6.6
154.07736	6.9
155.08597	29.0
156.09134	6.2
157.06500	9.1
157.10153	49.2
159.08028	21.9
159.11743	31.2
161.05991	46.5
161.09570	14.7
161.13188	11.6
163.07558	9.7
163.11189	10.2
165.07114	7.7
167.08563	16.4
169.06522	8.1
169.08759	6.1
169.10133	25.6
171.08083	15.7
171.11736	26.1
173.05942	8.6
173.09595	31.7
173.13298	8.8
175.11177	12.2
177.09166	7.0
179.08473	13.1
181.06526	8.7
181.10124	21.1
182.10881	7.8
183.08058	16.2
183.11664	30.6
185.09621	16.0
185.13242	18.0
187.07565	9.5
187.11174	20.0
189.09048	10.2
192.09294	6.9
193.10124	20.6
195.07997	11.0
195.11688	28.7
197.09630	13.6
197.13206	19.5
199.11180	16.7
199.14854	7.8
205.10210	10.9
205.12238	6.5
207.11667	25.6
208.12509	6.9
209.07971	9.6
209.09750	7.9
209.13226	20.4
210.13789	8.0
211.11124	15.6
211.14888	13.5
213.09166	7.9
213.12733	6.6
213.16306	9.3
215.10803	7.2
219.11700	13.0
220.12354	11.1
221.09641	8.0
221.13255	17.3
222.13962	9.4
223.11153	15.3
223.14848	15.5
225.09151	8.6
225.12770	27.3
225.16240	8.9
227.10704	7.4
227.14336	15.8
229.12292	7.3
229.15833	6.6
231.11687	10.1
233.13348	13.2
235.11194	10.0
235.14957	13.3
236.15399	7.2
239.14290	11.6
241.12108	8.6
241.15903	6.5
243.13828	14.8
245.13341	9.2
247.14899	12.1
249.12679	7.5
249.16403	9.4
251.10652	7.0
251.14359	5.8
251.17937	7.9
257.15500	8.7
261.16293	8.2
263.14240	8.9
263.17798	8.5
265.12067	7.2
265.15982	11.0
273.15051	7.8
275.14218	12.5
277.12393	7.4
277.15729	10.1
279.13690	8.0
285.16400	6.7
289.14151	46.7
293.18832	7.1
295.16882	7.4
317.18906	9.6
319.20499	8.3
323.19962	7.3
327.15955	12.0
327.19553	8.1
359.19760	8.3
384.33051	6.3
389.24710	21.6
399.22409	5.5
407.25702	21.2
417.24323	32.0
421.23453	9.9
423.25031	14.8
425.19659	8.4
425.26624	13.9
431.25604	11.4
433.27283	12.1
435.25284	47.9
439.24411	27.9
441.25522	6.7
449.26804	14.0
451.28329	8.8
453.19797	11.8
453.26346	97.8
457.69043	6.4
459.25073	19.1
460.25879	10.3
467.27670	14.2
469.29373	9.7
471.20108	46.2
471.27304	100.0
477.26672	31.6
495.20596	9.0
495.27289	54.1
496.28046	6.9
513.21613	11.1
513.28479	45.2
514.28540	6.0
531.22736	51.7
531.29486	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	0.2
51.21943	0.2
52.67589	0.2
53.03951	0.3
54.59455	0.2
55.01868	0.3
55.05513	2.8
57.03436	1.1
57.07074	0.7
63.02380	0.5
67.05503	3.3
69.07075	2.1
69.46356	1.1
71.05000	0.2
71.35767	0.2
77.87865	0.2
78.04717	0.3
79.05486	1.6
81.07057	3.3
83.04980	1.1
83.08616	1.2
84.05330	0.2
87.04477	4.2
87.09081	0.2
88.04804	0.8
89.03916	7.5
90.04272	0.2
91.05483	1.5
93.07032	1.5
95.08610	2.3
97.06522	0.3
97.10187	0.3
98.22601	0.2
103.05466	1.1
105.00105	0.3
105.03409	0.2
105.07014	1.1
106.04184	0.4
107.08599	0.8
109.10162	0.7
117.03378	20.5
118.03689	0.2
119.04949	0.2
119.08559	0.4
121.06518	0.3
121.10152	0.6
123.11723	0.2
131.04921	1.4
131.08554	0.2
133.10121	0.3
134.03613	1.3
135.04416	1.6
135.11649	0.3
145.02843	46.1
146.03151	1.1
149.05981	6.4
155.17380	0.2
158.05989	0.2
162.03139	0.6
163.03917	1.2
177.05463	100.0
178.05821	2.8
185.01567	0.2
186.05498	1.6
186.06999	0.2
195.06520	1.2
203.10609	0.4
245.38628	0.2
251.08995	0.3
256.26346	0.3
257.26712	0.2
340.60046	0.2
390.69250	0.2
495.14035	0.2
513.29224	0.6
531.23553	0.4
531.32593	2.3
531.39740	0.4
532.33344	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01875	1.0
55.05511	8.7
57.07085	3.2
57.07299	0.6
60.27911	0.6
65.03934	1.1
67.05506	15.4
68.05825	0.5
69.07068	6.9
71.08631	1.0
73.02918	1.0
79.05495	10.7
81.03418	3.0
81.07060	21.9
82.07414	0.8
83.08275	0.4
83.08629	4.5
86.84762	0.5
87.04473	1.5
91.05482	10.1
92.11476	0.5
93.07046	17.7
93.07627	1.3
94.04186	2.2
95.04971	2.5
95.08609	15.4
97.06548	0.6
97.10183	4.2
98.22542	1.1
103.05460	1.6
105.00082	3.1
105.04529	0.7
105.07031	13.7
107.04932	3.9
107.08599	14.0
109.06519	2.1
109.10160	14.2
111.08036	0.6
111.84225	0.5
115.05460	1.3
117.07050	3.8
119.04945	1.1
119.08597	8.7
121.06526	1.8
121.10152	8.8
122.03632	5.0
123.04473	1.2
123.08056	1.0
123.11708	6.9
128.06247	0.9
129.06999	1.7
131.04930	3.9
131.08582	5.0
133.06502	18.7
133.10123	5.5
135.04405	2.7
135.08031	0.7
135.11673	4.7
137.05977	100.0
137.13246	1.3
138.06328	1.5
141.06989	0.7
142.07803	1.0
143.08559	1.3
145.06493	2.8
145.10114	8.0
147.08070	2.6
147.11690	5.4
149.06010	0.7
149.13261	17.7
150.13580	0.8
151.07547	8.8
155.08548	0.8
157.10158	3.7
159.08046	1.2
159.11687	6.0
160.05264	0.7
160.08766	1.5
161.06035	0.7
161.09534	1.0
161.13226	2.1
163.07545	1.6
163.14821	7.0
164.15172	0.7
165.09129	4.0
167.08527	0.6
169.10030	0.9
171.08084	1.5
171.11707	0.6
173.09610	1.7
173.13295	2.6
175.07571	11.0
175.11172	19.7
175.14743	3.2
176.08139	0.8
176.11522	0.7
177.09099	2.9
177.12718	0.7
177.16460	0.8
179.08626	0.8
179.10687	1.5
182.07195	0.5
183.11801	0.6
185.09651	1.7
187.07555	1.0
187.11378	0.6
187.14810	1.5
188.08345	0.7
189.09082	4.5
191.10658	3.5
193.12259	1.9
195.13893	0.8
196.08842	0.6
197.09538	0.6
199.11195	0.7
201.09082	1.1
201.16394	12.5
202.09926	1.0
202.16956	0.7
203.10669	4.7
203.17989	0.9
205.12271	6.7
207.13795	15.7
208.14386	0.8
209.09677	1.2
211.11139	1.0
213.09012	0.8
213.12631	0.9
215.10652	2.0
217.12238	2.8
222.10362	0.8
223.11177	1.1
225.12724	0.6
227.10666	1.2
228.11418	0.8
229.12219	1.8
231.13776	1.0
237.12585	0.6
239.10724	0.7
240.11485	1.0
241.12262	1.7
243.13858	3.0
245.15335	1.3
253.12189	1.3
255.13748	0.8
257.15329	2.3
267.13748	1.1
269.15250	1.2
277.16248	0.8
281.15475	0.7
283.16916	1.0
285.18433	0.8
295.16901	0.9
307.16843	0.8
309.18439	1.5
324.20822	1.0
325.21616	1.6
335.16397	1.7
339.23148	4.3
350.67703	0.6
357.20648	1.3
367.19058	2.4
371.22122	7.8
395.22440	0.9
407.29227	0.8
409.23709	1.3
419.22354	0.7
435.25137	3.0
449.26880	7.4
450.27182	0.8
456.31482	0.6
461.26959	3.1
475.28561	1.1
501.29669	0.9
531.34528	70.1
532.35046	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.01872	10.0
55.05513	43.1
57.03440	4.4
57.07057	7.7
65.03941	6.5
67.05173	6.8
67.05501	71.3
69.03424	22.0
69.07067	33.3
69.25349	10.4
69.25764	12.9
71.08639	5.6
71.51545	3.5
73.06556	9.2
79.05495	42.1
81.03429	6.9
81.07054	69.7
83.04977	8.3
83.08613	21.3
84.29744	3.4
84.44337	3.9
85.06544	7.4
87.04449	5.2
91.05478	35.0
92.28268	3.5
93.07034	57.7
94.07354	4.6
95.04976	25.9
95.08604	100.0
95.78156	3.7
96.08926	5.8
97.05984	3.4
97.06535	15.4
97.10154	8.2
99.04449	3.7
99.08093	8.9
103.05486	6.9
105.00075	4.3
105.07021	48.1
106.93528	3.6
107.08580	68.4
109.06503	15.2
109.10135	41.3
111.08060	23.6
111.69691	4.0
115.07586	16.3
117.07034	7.5
119.08579	73.2
119.09442	4.2
120.08936	4.7
121.06520	13.8
121.10130	51.0
123.08053	24.0
123.11696	13.0
125.09642	35.5
129.06972	8.7
129.09137	5.5
130.17175	3.7
131.04916	7.2
131.08548	25.2
133.10126	60.2
135.08040	9.6
135.11681	24.1
136.66136	3.7
137.09590	7.3
137.13223	6.5
139.11249	8.4
141.09109	4.3
142.07796	3.3
143.08614	18.9
145.10110	29.3
147.08090	10.9
147.11670	20.0
149.09642	16.1
149.13246	7.6
151.07515	17.0
151.11165	35.6
155.08578	5.4
155.10744	5.0
157.10141	23.6
159.11682	28.0
161.09648	15.8
161.13306	12.2
163.11177	15.6
163.14764	4.3
167.08565	4.0
167.10683	5.4
169.10176	7.8
169.12148	4.4
171.11705	17.5
173.09645	8.0
173.13237	20.4
175.11169	36.6
175.14784	14.0
177.12750	11.3
179.10672	19.4
179.14284	6.0
181.10114	4.9
181.12242	3.8
183.11737	8.7
185.13304	12.7
187.11179	6.4
187.14839	12.1
189.12660	22.4
189.16339	7.9
191.14227	4.3
193.12108	5.8
195.11642	6.3
195.13858	4.3
197.13286	10.2
199.11195	4.5
199.14832	23.1
201.12772	8.1
201.16391	5.1
205.15776	4.2
207.13786	14.3
209.13365	9.3
209.15349	8.4
211.14838	9.7
213.12756	6.9
215.14334	5.5
217.15869	15.0
223.14803	9.0
229.15907	5.1
233.15462	4.6
235.13223	8.2
241.15855	5.7
245.15445	9.9
249.18472	15.5
263.16409	10.9
265.15796	4.8
265.19461	6.0
283.17645	4.6
283.20569	11.8
307.20609	5.4
314.10577	3.8
315.23059	19.4
325.21606	20.6
339.23270	4.5
393.27914	4.8
421.30981	14.7
431.29443	4.8
439.32013	6.2
449.30341	10.3
463.32086	5.7
481.33060	9.7
499.34088	8.4
513.35657	10.3
531.39587	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3683
Annotation	CHEBI:68102
Peak:m/z	Relative Intensity
51.21790	1.9
53.03944	3.5
55.01852	2.9
55.05507	19.7
57.07067	9.2
66.10334	2.1
66.79668	2.0
67.05507	37.0
69.03421	3.7
69.07072	22.6
71.04966	2.3
71.08612	3.4
71.32153	3.6
73.02891	2.4
79.05497	24.4
81.07057	59.6
83.04975	2.2
83.08620	10.8
85.06547	2.6
87.04477	8.3
89.06017	3.7
91.05476	27.6
93.07050	56.6
95.04971	9.7
95.08607	100.0
95.09220	4.9
97.06538	8.9
97.10180	6.5
99.03432	2.4
103.05460	5.1
105.00096	8.8
105.07034	50.2
107.08595	73.4
109.06528	5.9
109.10155	40.6
111.08086	8.3
115.07572	3.1
117.07024	9.0
119.08579	56.6
121.06528	5.1
121.10137	56.5
123.08038	11.7
123.11707	27.2
125.09657	7.8
128.06242	3.7
129.07045	5.5
129.09157	3.2
131.04889	11.0
131.08562	14.8
132.85410	2.5
133.10127	53.2
135.08034	5.6
135.11693	30.7
137.09628	4.5
137.13283	15.7
143.08578	8.5
145.10136	30.8
147.08038	3.0
147.10612	3.4
147.11697	41.7
147.12784	1.8
148.12083	2.4
149.09601	6.8
149.13269	15.9
151.11176	7.3
155.08597	3.7
156.09319	3.9
157.10123	12.4
159.07991	3.8
159.11682	29.0
161.09595	9.2
161.13274	42.6
163.11111	3.3
163.14838	8.4
169.10193	3.4
171.11670	11.5
173.09683	2.4
173.13275	21.6
175.11172	10.8
175.14839	17.7
177.12668	2.5
177.16376	14.0
179.10730	2.9
181.10008	3.0
181.12292	2.8
183.11673	5.4
185.13292	8.0
187.11217	5.4
187.14798	14.9
189.12720	5.5
189.16364	18.6
191.14346	2.8
191.17897	5.3
195.11743	2.9
195.13942	2.7
197.13322	4.5
199.14830	15.1
201.16403	9.8
203.14404	6.7
203.17943	18.6
205.15903	4.4
207.13748	4.2
209.13156	3.0
211.14864	5.6
213.16368	8.0
215.14323	4.7
215.18010	3.8
217.12259	2.7
217.15955	14.1
219.17480	2.2
221.15353	5.1
223.16974	2.9
229.15854	5.7
231.17410	6.8
235.16898	16.4
241.19466	4.8
243.21150	5.0
247.17009	6.2
249.18532	9.2
269.18835	2.3
285.22110	2.6
325.21512	3.2
329.24872	4.2
343.26263	5.7
355.26358	4.0
357.27826	2.7
394.28687	2.3
403.28635	4.8
407.33099	6.7
408.33493	2.3
415.28577	2.7
417.31641	3.5
421.31039	3.6
425.34161	17.4
435.32672	12.1
449.30112	2.6
453.33524	9.6
467.34805	3.1
485.35999	5.9
495.34357	7.6
513.29254	10.5
513.36072	15.3
531.16473	3.5
531.23682	3.0
531.39441	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90451	14.1
55.05494	18.9
56.79326	13.9
60.96247	20.4
70.74580	14.2
83.04963	21.5
98.23358	30.8
111.76811	13.9
143.07104	14.0
170.88785	16.7
296.29807	15.3
315.08563	41.3
343.08136	24.0
355.11774	26.4
362.25900	17.4
401.19485	34.1
479.28217	18.0
489.26257	45.1
533.24994	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37450	2.2
51.64442	2.2
55.05507	5.5
56.44786	1.9
64.77953	2.4
67.05503	3.1
69.07063	2.5
69.24178	12.0
81.07068	4.0
83.04974	2.8
84.11069	2.6
91.05471	3.9
93.07044	6.1
95.08627	10.0
98.23383	4.9
99.44022	2.0
105.07018	7.1
107.08592	2.9
111.08098	2.5
111.79794	2.4
117.07022	3.3
119.08582	6.9
133.10126	4.4
143.08554	5.6
145.10115	6.5
147.11684	3.5
157.10115	6.4
159.11629	4.2
161.09547	4.7
171.11697	7.2
185.13182	3.0
197.13264	3.7
205.50703	2.2
232.42712	2.3
237.05334	2.3
239.10957	2.3
241.08600	5.0
251.07063	3.1
253.08601	4.0
255.06323	2.9
267.10077	5.4
269.08109	8.2
270.08850	2.8
279.10162	2.9
280.07336	3.6
281.08136	2.9
281.11810	3.2
282.12549	2.6
283.06528	3.3
283.09662	7.1
284.06824	6.1
284.10168	2.9
285.07611	4.6
295.09714	12.7
297.07678	4.9
297.11151	4.1
298.08401	6.2
299.09052	10.2
300.06213	2.6
300.09735	4.0
309.11121	5.9
310.08551	3.6
310.11984	12.0
311.09152	5.1
311.12607	4.9
312.09927	5.4
313.10696	8.9
315.08542	4.0
315.12183	2.8
320.10150	3.0
321.11084	3.3
325.10742	17.1
326.11411	12.6
327.08673	7.8
327.12228	3.4
328.09464	3.8
329.10025	3.1
338.51715	2.3
340.13092	31.3
341.10455	16.2
341.13815	16.9
342.10822	16.3
343.08115	3.3
343.11804	5.4
351.12338	9.8
356.12537	21.2
357.13394	3.0
358.10406	5.5
366.14603	11.2
367.26184	3.1
371.14908	37.8
372.15179	4.1
373.12753	22.8
381.27945	3.8
383.14920	8.2
384.15619	8.5
385.15884	3.5
391.26114	2.4
397.16513	5.5
409.27356	11.7
415.17520	100.0
416.17697	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18114	1.8
55.05518	13.5
57.96460	1.8
79.05504	2.3
82.06645	2.0
83.04979	13.2
91.05495	6.6
93.07043	2.2
98.17368	1.8
103.05474	19.6
104.05776	4.3
105.07036	23.0
131.04916	29.5
132.05264	11.8
174.71048	2.7
181.71536	2.1
209.09775	2.5
225.09189	3.1
237.09065	2.4
239.06946	3.6
239.10680	3.4
241.08517	2.8
249.09192	3.2
251.06917	2.7
252.07805	2.5
253.08586	3.3
253.71834	2.0
254.09273	3.8
257.08148	2.1
265.08453	5.3
266.09387	2.4
267.06305	2.2
267.10123	5.6
268.07495	2.4
268.10812	3.1
269.08063	6.5
270.08875	4.6
271.06064	3.6
277.08875	2.0
278.09476	3.2
279.10138	3.7
280.07376	2.9
280.10925	3.1
281.05026	2.0
281.08182	5.6
282.08847	3.9
282.12289	3.2
284.06805	6.9
285.07611	7.7
292.10773	2.5
293.11639	4.9
294.08817	2.6
295.09619	8.6
297.07562	5.0
297.11221	8.4
298.08319	3.9
299.05875	3.9
299.09180	10.5
300.06207	2.3
300.09772	4.1
309.11392	4.8
310.08459	4.1
310.12091	5.9
311.09195	4.1
311.12836	3.9
312.09952	5.8
313.07101	5.2
313.10678	6.0
315.08682	3.8
321.11084	2.8
323.12741	4.2
325.10587	14.3
326.11551	5.0
327.08636	9.0
329.10217	15.7
339.12271	4.7
340.13074	40.2
341.10071	4.3
341.13901	9.5
342.11050	21.1
343.11655	7.3
343.15433	3.0
351.12207	4.5
355.15521	3.0
356.12534	5.9
357.13303	4.7
358.10947	3.0
366.14603	3.9
367.15451	4.5
369.17035	3.1
371.14874	55.4
372.15350	4.1
373.12866	14.5
385.16266	11.3
386.11148	3.0
386.17310	2.6
387.17886	7.5
397.16086	2.3
398.11008	2.7
401.09705	2.5
401.19614	6.9
415.17511	100.0
416.17761	10.7
445.15509	2.6
463.17145	6.2
464.18271	2.5
469.19278	2.6
476.17889	3.8
486.20026	3.6
500.21332	2.8
501.22232	5.9
502.23602	2.5
532.24176	30.3
533.25122	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	23.4
56.04895	5.5
61.81888	4.9
62.88950	5.1
68.65800	5.2
69.16418	15.5
69.16823	31.6
71.50993	6.4
83.04987	25.5
90.46896	5.8
91.14957	6.4
93.07038	5.4
98.93230	5.7
105.08794	5.8
192.05789	6.5
192.11389	5.8
241.08591	9.3
255.06398	6.2
263.10596	6.7
267.06378	7.7
267.09995	7.3
268.07224	8.0
269.08176	19.1
278.09229	7.6
281.08075	8.6
284.06812	10.1
293.11612	9.7
295.09735	11.3
297.07520	23.5
297.11234	16.7
298.08322	6.9
299.09195	29.5
299.12393	6.1
300.09555	7.3
308.14166	7.4
309.11188	11.2
310.11862	8.9
311.09213	10.8
311.12704	11.2
312.09998	48.6
312.13437	10.9
313.10699	15.4
321.11206	28.3
324.10172	11.2
324.13681	8.0
325.10901	29.2
325.14325	7.3
326.11462	10.7
327.08646	15.6
328.13028	13.8
336.13602	7.3
339.12128	14.5
340.13077	55.2
341.13916	13.2
342.10980	30.0
343.11777	67.8
343.15683	10.5
351.12302	22.1
356.12561	8.1
357.13364	7.1
358.10403	7.5
366.14597	68.8
367.15549	33.2
371.14993	99.3
372.15112	7.9
373.12860	18.3
384.15680	15.1
385.16418	84.8
397.16354	70.0
415.17468	100.0
416.17572	10.0
497.21582	8.3
533.23181	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.8
83.04963	6.9
103.05451	13.4
131.04944	21.1
132.05237	13.0
226.06253	3.3
229.50835	2.9
235.07674	3.0
237.05414	3.0
237.08995	3.1
240.07719	4.4
241.08713	5.5
253.08482	4.3
255.06796	3.4
265.08646	6.1
266.09253	3.5
267.06754	4.3
267.10162	7.7
269.08102	8.5
279.10330	4.2
280.07071	3.4
281.08194	5.3
282.08838	3.8
282.12564	5.6
283.09665	4.1
284.06644	6.2
285.07620	5.4
293.11588	4.7
294.08676	3.0
295.09659	8.5
297.07632	9.5
297.11200	10.1
298.08359	3.7
298.12082	4.0
299.09131	15.8
300.09744	6.3
309.07779	5.7
309.11252	7.8
310.08463	5.5
310.11990	7.1
311.09207	4.7
311.12601	6.7
312.09857	13.6
312.13263	5.9
313.10608	9.4
321.11124	7.6
325.10660	24.7
326.11484	7.1
327.08725	13.5
328.09131	4.1
328.12729	5.2
329.10342	9.5
339.12018	4.4
340.13049	46.9
341.10480	5.2
341.13739	13.7
342.11118	28.3
343.11646	14.3
343.15375	5.2
351.12253	8.2
356.12442	10.1
358.10251	5.6
366.14502	12.3
367.15259	9.2
371.14883	77.9
373.12772	19.8
385.16360	18.4
397.16287	16.6
409.15881	5.5
410.16473	16.6
415.17480	100.0
416.17639	7.5
532.24237	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.05498	3.3
67.05503	9.5
69.03440	10.0
69.06231	17.8
69.07048	4.3
79.05492	16.4
81.07059	67.6
82.07383	3.1
83.04964	2.1
85.06525	2.1
91.05486	12.3
93.07037	11.6
95.04950	4.6
95.08604	26.6
97.02888	4.5
97.06530	8.6
99.04446	6.9
103.05453	1.9
105.07024	15.7
107.04930	2.7
107.08596	11.5
109.02876	2.3
109.06519	37.6
110.06796	2.8
111.04445	3.4
111.08060	2.8
115.05432	3.0
117.07012	6.0
119.04950	2.8
119.08578	11.3
121.06484	4.4
121.10125	5.2
123.08073	22.0
125.06008	2.4
128.06139	3.6
129.07001	8.4
131.08578	9.3
133.06514	6.2
133.10152	9.8
135.08015	4.9
137.05978	100.0
137.09566	2.2
138.06317	5.6
139.07536	2.0
141.06932	5.1
142.07779	4.6
143.08557	13.0
144.05681	3.0
145.06470	11.4
145.10144	10.4
147.08093	8.7
147.11696	3.3
149.05963	2.5
149.09618	3.7
151.07611	8.8
153.06906	2.0
155.08548	12.5
156.09258	3.3
157.06482	6.4
157.10129	10.8
159.08034	13.0
159.11676	2.5
161.05939	2.2
161.09653	10.8
163.07542	2.4
165.07024	3.0
165.09059	2.7
167.07176	1.7
167.08557	5.6
169.06499	4.0
169.10118	9.6
171.08031	22.2
171.11720	4.9
173.09625	27.1
173.13295	2.1
174.10358	1.9
175.11246	6.2
177.09131	4.2
178.07726	2.4
179.07100	2.5
179.08607	5.2
180.09259	3.8
181.06508	3.4
181.10077	4.7
182.07234	2.3
182.10605	2.8
183.08081	11.4
183.11681	4.7
184.08774	3.7
184.12286	1.7
185.09584	5.9
185.13159	2.6
187.07617	3.1
187.11192	4.3
189.12761	3.4
191.08583	2.4
192.09329	2.4
193.10143	7.1
194.10782	2.7
195.08090	7.1
195.11713	6.6
197.09647	5.3
197.13271	3.4
199.07542	3.2
199.11194	6.0
199.14856	2.4
201.09085	10.6
202.07857	2.7
203.08572	3.7
205.10143	3.1
206.10582	2.4
207.08153	3.8
207.10112	4.7
207.11765	6.2
208.12169	3.1
209.09663	5.5
209.13284	3.6
210.10403	4.9
211.11153	8.4
212.11729	2.2
213.09190	4.2
213.12700	3.7
215.08653	3.2
215.10635	2.3
217.10146	5.1
218.10835	2.9
219.11716	3.5
220.08795	4.9
221.09763	14.5
221.11577	4.4
221.13339	3.3
222.10333	4.7
223.11168	7.6
223.14687	4.2
224.15346	2.0
225.09024	4.2
225.12753	5.3
225.16161	2.4
227.10594	2.0
231.08046	2.8
232.08694	2.2
232.12216	3.5
233.09645	3.9
234.10349	3.3
234.13867	2.5
235.11192	18.1
235.14716	3.3
236.11928	9.3
237.09087	3.7
237.12743	13.0
237.16382	3.6
238.09900	4.2
239.10695	5.2
239.14290	7.1
239.17882	2.3
241.16025	2.5
245.09662	4.8
245.13367	2.6
246.10414	6.9
247.11156	5.8
247.14799	4.0
248.11835	2.5
249.09096	2.8
249.12727	5.1
250.13399	5.1
251.10455	3.1
251.14368	4.5
253.12311	5.2
254.13066	2.4
255.13866	2.4
260.11908	3.8
261.12787	2.7
263.10757	11.4
263.14243	7.2
264.11514	13.4
265.12244	6.2
265.15887	20.7
266.16281	3.2
267.13766	7.1
267.17438	4.5
269.15530	2.5
273.12424	2.5
275.14279	16.1
276.14828	3.6
277.12265	3.2
278.12949	2.9
279.13770	3.9
280.14508	1.8
281.11703	7.7
281.15308	3.1
282.12476	8.4
282.15274	2.0
283.13275	8.8
283.16888	5.0
289.15961	2.4
291.13828	4.5
291.17188	3.4
293.15378	19.9
294.15790	2.9
295.13361	3.9
295.16812	3.3
295.20456	2.5
296.20895	5.3
297.15009	2.2
299.12646	2.6
303.13800	5.0
305.11627	3.4
306.12579	2.6
307.13168	2.9
307.16693	3.1
309.14856	5.4
309.18362	2.8
311.16379	34.7
311.19336	1.6
312.16824	1.9
321.14865	16.4
322.15143	3.4
325.14444	4.5
335.16455	11.3
339.15897	22.3
351.15839	3.4
353.17542	13.6
358.84433	1.9
361.16519	2.6
363.15707	3.7
371.18686	11.3
372.22403	7.3
373.17810	6.0
381.17065	14.2
383.16336	2.8
389.19568	6.1
391.19116	9.1
395.18567	2.7
399.18149	12.0
400.01697	2.4
401.17508	16.3
409.20215	15.6
411.25284	7.4
415.19003	2.7
417.19077	34.0
418.19235	4.0
419.18536	85.4
420.18781	8.8
421.23746	2.3
425.17856	2.6
435.21640	7.5
437.19580	89.3
438.19598	8.9
439.24792	28.0
443.18463	4.5
451.24826	3.1
455.20459	23.0
456.24826	17.9
457.25400	3.8
461.19492	18.2
469.25665	6.7
479.20621	26.5
480.20828	3.2
486.25659	2.5
497.21118	14.8
515.22565	8.4
532.25818	10.0
533.23859	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
55.01869	3.0
55.05503	4.5
59.03407	1.4
65.03930	1.7
67.05502	5.0
69.01781	6.9
69.02189	5.0
69.03434	8.0
69.07053	2.8
71.04992	1.9
79.05493	13.8
81.03416	2.2
81.07054	54.9
82.07391	2.1
83.04961	3.9
85.02887	1.9
86.09673	1.6
91.05481	13.2
93.07039	8.5
95.04964	4.5
95.08603	11.2
97.02902	3.8
97.06507	2.3
99.04453	3.2
103.05478	1.6
104.94401	1.7
105.07033	11.1
107.04929	1.8
107.08597	7.5
109.02886	1.8
109.06515	39.5
109.10146	3.2
111.04452	2.1
111.08086	3.3
115.05455	2.0
117.07027	6.1
119.04958	2.0
119.08570	11.9
121.06500	6.2
121.10144	4.1
123.04415	2.6
123.08080	10.4
125.06004	2.6
128.06186	2.8
129.06998	6.9
131.08591	9.9
133.06503	3.3
133.10117	6.8
135.08049	4.3
137.05972	78.9
137.09636	1.5
138.06268	2.4
139.07474	2.0
141.06970	3.6
142.07753	4.7
143.08574	9.1
145.06474	5.9
145.10138	8.0
147.08043	9.1
147.11641	4.4
148.08369	1.4
149.05974	2.9
149.09631	4.1
151.07535	6.6
155.08537	11.8
157.06531	2.3
157.10112	10.0
158.07384	2.1
159.08078	8.1
159.11674	3.9
160.05301	1.9
161.06006	2.9
161.09596	5.4
163.07495	2.5
165.06967	3.9
165.09117	5.3
166.07762	2.3
167.07071	3.5
167.08559	5.8
169.06490	2.0
169.10100	9.4
171.08080	5.9
171.11667	4.4
173.05881	2.9
173.09628	8.7
175.07549	4.0
175.11192	9.1
179.08566	5.6
180.09186	1.9
181.06577	3.1
181.08574	5.2
181.10101	5.5
183.08075	5.5
183.11699	4.0
184.05688	1.5
184.07367	5.8
185.06059	3.8
185.09610	5.9
186.10295	1.6
187.07558	7.1
187.11176	5.1
189.09119	2.4
192.09308	2.1
193.10188	6.9
194.07298	1.4
194.10832	2.4
195.08063	5.5
195.11655	5.1
197.05966	2.6
197.09615	8.6
197.13368	3.4
198.10143	1.5
199.07545	5.7
199.11174	3.4
201.09123	7.5
202.09846	3.6
203.08556	1.9
205.10139	2.5
207.11685	5.2
208.08847	2.1
208.12411	1.6
209.09607	6.2
209.13226	3.3
210.10216	1.9
211.07571	4.0
211.11169	6.2
213.09088	3.6
213.12785	2.4
215.08716	2.9
215.10605	8.9
217.10133	4.0
217.12283	6.8
218.10808	2.1
219.10143	5.4
219.11934	2.2
221.09554	4.4
221.13220	1.9
223.07472	2.0
223.11171	6.4
223.14786	2.9
225.09088	3.2
225.12700	3.0
227.10710	3.3
233.09619	3.0
235.11221	7.9
236.11932	4.1
237.09148	2.7
237.12729	6.3
239.10745	3.5
241.12102	1.7
245.09598	2.6
246.14040	1.8
247.11151	3.2
247.14839	2.9
249.09036	2.1
249.12857	3.2
251.10664	3.6
251.14384	3.7
253.12218	4.7
253.15910	3.6
255.13855	2.5
261.12830	2.8
262.09821	1.7
263.10648	4.5
263.14310	3.6
264.11481	4.7
265.12234	2.8
265.15897	5.8
267.10236	2.3
267.13773	2.2
269.15512	1.8
275.14172	4.9
277.12360	1.4
277.16037	2.4
278.12943	1.6
279.13742	3.6
281.11765	3.9
281.15378	2.3
282.12564	4.7
283.13333	5.8
283.16449	1.7
285.12454	1.7
291.13840	4.1
293.12067	2.2
293.15262	11.0
295.16934	1.7
295.20618	1.9
297.14853	2.9
303.13821	2.4
307.13583	1.7
309.14859	14.9
311.16541	5.7
321.14871	11.5
325.14365	2.0
335.16278	2.0
337.18051	3.5
339.15900	60.0
340.16397	3.4
343.15460	2.9
345.18372	2.4
353.17325	2.5
355.19260	2.1
357.16739	1.5
363.15906	2.6
369.17050	10.7
371.18558	3.4
373.18027	4.0
381.16861	7.5
391.19077	9.9
392.19379	1.9
393.20578	1.7
399.17999	32.9
400.18365	2.7
401.17288	7.6
407.22174	2.1
409.20041	4.9
417.20117	2.0
419.18457	37.4
420.18875	2.8
421.23672	7.2
435.21518	4.2
437.19528	100.0
438.19855	11.2
439.24774	9.1
443.18323	1.8
451.21100	3.1
453.23007	6.8
455.20325	13.1
455.24686	9.5
461.19495	8.5
479.20486	24.3
497.21423	32.2
498.21973	4.2
515.22729	2.2
532.23260	2.9
533.24677	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	43.1
56.74411	2.3
60.48027	1.8
65.76420	1.9
67.05502	2.1
69.07035	1.8
71.31783	2.4
75.26405	1.9
75.82615	1.8
81.07056	3.9
83.04982	33.2
91.05483	3.2
93.07079	4.6
95.08616	4.1
102.55753	1.9
105.07030	4.2
107.04902	2.3
107.08598	3.1
109.10168	2.0
119.08621	2.4
123.08135	2.3
131.08528	3.3
133.10127	3.1
135.08067	2.3
137.06013	3.7
143.08560	4.7
145.10179	3.0
146.15631	2.0
155.08565	2.3
157.08784	2.0
157.10135	3.1
169.10094	4.6
183.11676	2.7
209.09781	2.8
223.14972	2.9
231.07848	2.3
241.08531	2.7
252.07921	3.0
257.08096	2.6
267.06516	3.0
268.07346	3.7
269.08173	3.1
283.09619	6.1
284.10217	4.0
285.07629	6.0
293.08133	3.1
295.09564	2.7
297.07654	15.7
298.11978	2.4
299.09055	3.5
299.12592	3.0
300.09848	15.5
307.09381	3.0
309.11301	6.3
311.09116	17.5
312.09955	20.1
313.10687	3.3
313.14212	3.3
315.08853	2.9
315.12305	8.8
321.18491	2.5
326.11603	9.9
329.13779	2.7
340.13141	2.8
341.10196	2.4
341.13879	20.5
343.11691	33.9
343.15262	3.4
344.12421	2.8
351.12524	2.6
352.12973	6.2
355.15259	4.3
357.13190	16.5
358.14075	100.0
359.14481	6.2
366.14520	3.4
369.17020	4.6
382.13876	2.8
383.14923	17.7
394.23593	2.2
397.16479	5.4
415.17438	45.4
416.17737	5.6
421.23624	2.1
433.27301	5.1
443.25925	3.4
461.26685	7.0
479.27921	10.6
533.24005	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	54.2
62.70456	1.3
69.20914	11.1
76.97556	1.3
81.31658	1.5
83.04984	93.2
126.75520	1.3
160.99249	1.5
197.12267	1.9
235.30202	1.4
238.06371	1.6
243.06456	2.2
253.08830	2.5
255.06743	2.3
264.11298	1.8
265.08740	1.8
267.06537	3.9
267.10147	2.3
269.08032	2.6
270.08795	2.0
279.10251	3.0
279.13608	1.7
281.08136	2.0
282.08881	2.3
283.05786	1.6
285.07510	2.2
286.08200	2.2
287.08945	2.5
291.10147	2.1
295.10098	2.3
295.13177	7.7
296.10437	4.2
298.08243	3.6
299.09061	3.3
301.10580	1.9
302.07843	2.5
303.08530	2.7
306.12589	2.4
307.09753	2.9
307.13107	2.9
308.10507	2.2
309.11298	2.8
309.14786	5.1
310.15460	2.3
311.09183	1.6
312.09799	2.8
312.42792	1.5
313.10776	7.0
314.11276	4.2
317.10089	7.7
318.10733	8.4
322.12054	2.6
323.09595	1.7
323.12778	10.2
324.13620	2.4
325.10843	1.8
326.15158	1.8
327.12195	5.1
328.12921	2.7
331.11835	3.3
332.12494	13.2
333.13181	4.3
337.10522	2.1
337.14368	21.9
338.15070	8.7
339.12225	4.9
339.16025	4.0
341.17441	6.4
345.13287	6.8
354.14560	4.6
355.15378	12.0
359.14850	8.9
360.15570	1.6
369.16974	27.8
370.17731	26.7
386.17203	3.6
401.19580	100.0
402.19824	5.2
451.21368	3.1
483.23840	17.5
484.23718	1.8
532.16022	1.6
533.24963	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51106	1.5
53.03946	4.8
55.01883	7.9
55.05508	5.1
57.03225	1.4
57.03438	13.6
60.08157	5.4
61.02915	5.0
67.05508	20.1
69.03432	18.5
69.07059	6.2
71.01332	2.3
71.04973	1.8
71.07375	3.4
71.11544	3.1
73.02914	20.5
79.05505	15.7
81.07059	46.9
85.02907	41.0
85.03429	1.8
86.09708	34.0
87.04471	3.3
91.05463	12.2
93.07055	20.9
95.04958	2.9
95.08606	41.9
97.02897	20.6
98.98505	2.7
99.03801	1.4
104.10741	4.3
105.03426	2.1
105.07030	36.6
107.08592	40.6
109.02886	4.5
109.10162	35.1
115.03937	13.0
119.08577	19.7
121.10131	12.5
123.11702	5.1
125.00005	21.4
127.03919	9.2
131.08574	3.7
132.06595	4.3
133.04948	18.2
133.10133	15.0
135.07957	1.5
135.11700	6.0
145.04953	13.5
145.10144	4.1
147.11684	33.9
150.07654	4.1
150.32159	1.5
161.13229	13.8
163.06055	5.0
163.14787	8.4
175.14893	8.2
184.07347	100.0
201.16428	3.6
203.17950	79.7
204.18329	3.1
221.18990	2.1
223.06134	1.8
223.78090	1.4
241.07059	1.7
259.08148	2.1
335.16403	1.5
349.19315	1.6
410.12439	2.0
456.24081	2.2
532.30304	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.1
55.01883	8.8
55.05511	10.7
56.53111	1.8
57.03435	12.0
59.04974	2.3
61.02922	2.8
67.05505	32.5
69.03442	14.8
69.07061	11.8
71.04993	2.3
73.02918	15.5
79.05499	22.3
79.96003	1.7
81.03421	2.4
81.07059	54.8
81.07526	3.5
82.07404	4.7
83.04995	3.4
85.02902	38.1
91.04951	3.7
91.05482	33.7
93.07047	40.5
95.04985	5.8
95.08608	78.8
96.08943	1.8
97.02894	21.8
97.06549	2.0
99.04478	5.1
103.04002	2.6
105.07031	59.5
106.07298	2.4
107.08597	61.2
108.08952	3.2
109.02855	3.8
109.06544	6.5
109.10152	43.5
111.04444	2.2
111.08103	3.4
115.03931	12.3
117.07040	3.9
119.08585	39.4
121.06468	5.4
121.10144	20.8
122.06796	1.9
123.08097	4.4
123.11743	8.8
127.03923	9.5
129.06993	3.9
131.08560	6.4
132.06558	2.7
133.04970	20.7
133.10136	27.5
135.08054	2.9
135.11690	8.4
137.05975	6.8
138.06247	2.4
139.07597	2.4
142.07784	2.1
143.08604	3.6
144.08945	2.5
145.04955	16.1
145.10152	8.3
147.08078	5.4
147.11684	87.5
148.12073	3.2
150.07626	3.9
151.07555	2.5
155.08548	2.8
156.09175	2.1
157.10150	6.7
158.10513	2.6
159.08138	3.3
159.11682	6.5
161.09631	2.4
161.13292	14.4
163.06030	8.7
163.07404	2.3
167.07056	2.4
169.10109	3.7
170.10492	2.6
172.12064	2.6
173.09761	3.3
175.07561	2.5
175.11205	5.3
175.14833	9.0
181.10094	3.3
183.11737	2.2
189.16451	3.4
195.11653	2.2
201.13039	2.0
201.16446	4.0
203.17964	100.0
204.18391	5.1
221.18991	3.2
224.11504	1.8
259.08301	2.5
266.10956	3.3
403.22653	1.9
421.23669	3.4
438.23578	4.3
455.24371	2.4
456.24594	38.1
468.24997	2.9
470.26166	3.0
486.25674	9.1
515.23193	4.1
533.25000	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.5
55.01878	1.4
55.05517	3.6
57.03443	2.9
61.02922	2.2
67.05502	15.0
69.03429	5.7
69.07069	4.1
69.68612	5.2
71.18402	1.0
73.02916	9.5
79.05484	10.3
81.07060	28.3
83.04995	2.0
83.08589	1.6
85.02907	15.6
86.09714	2.5
87.09999	1.1
91.05470	15.6
93.07049	17.5
94.07369	1.0
95.04983	1.8
95.08605	39.2
96.08961	1.1
97.02901	11.0
105.07030	29.3
107.08597	26.7
107.09289	1.9
109.02916	1.5
109.06554	2.4
109.10157	22.5
111.04406	1.7
115.03940	5.9
117.07027	2.6
119.08574	21.5
121.06522	1.9
121.10161	11.5
123.08063	2.7
123.11672	6.5
125.00004	1.4
127.03938	5.1
129.06955	1.1
131.08603	2.8
133.04976	8.1
133.06586	1.4
133.10136	16.6
135.08078	1.7
135.11690	3.5
137.06021	1.2
141.07018	1.1
143.08560	1.8
145.04965	6.2
145.10152	4.9
147.08044	2.0
147.11693	47.2
148.12122	1.5
149.09645	1.7
150.07668	1.4
155.08569	1.9
157.10179	3.8
159.08038	1.7
159.11736	2.9
161.13271	8.3
163.06076	5.1
167.08549	1.2
169.10118	2.3
173.09607	1.3
175.14880	5.5
181.10065	1.2
183.11679	2.1
184.07376	5.8
193.10187	1.4
195.11687	2.1
197.09540	1.3
197.13307	1.5
201.12762	1.8
203.17953	100.0
204.18288	5.2
207.11595	1.5
209.13249	3.1
215.10739	1.6
219.11703	1.3
221.13226	2.2
223.10919	1.3
223.14719	1.0
233.13295	1.5
247.11223	1.5
259.08298	3.3
261.12625	1.4
269.71091	1.2
321.18671	1.3
339.79044	1.2
345.18512	1.4
375.12283	1.3
443.25543	2.0
455.22293	1.8
461.27246	6.5
473.22943	1.8
479.28198	9.2
489.25891	1.5
497.29214	3.2
505.25943	1.5
515.23987	2.7
532.29816	1.4
533.25159	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11854	5.9
55.05500	25.3
57.30157	6.0
58.50301	6.7
67.05501	32.6
69.03418	8.0
69.07053	9.0
69.08302	46.5
69.08723	26.0
69.21313	6.8
69.24374	7.0
79.05484	28.7
80.65815	6.7
81.07069	25.6
83.04982	28.0
91.05473	32.5
93.07053	48.4
93.82381	8.0
94.28690	6.8
95.08604	62.7
96.82420	8.4
97.06539	8.8
105.07038	44.3
107.08603	40.2
109.06530	20.3
109.10176	18.1
111.04456	11.0
111.08084	16.8
112.93941	7.1
117.07014	19.6
119.08561	55.3
121.06540	9.7
121.10137	21.5
121.15005	9.0
123.08100	31.7
125.09602	9.5
129.07022	17.7
131.08569	33.3
133.10109	36.4
135.08072	10.7
135.11691	12.9
141.06981	9.2
142.07784	12.6
143.08578	37.0
145.10130	40.3
147.08029	18.4
147.11702	14.3
155.08562	31.3
157.10130	52.8
159.08099	10.2
159.11726	27.8
161.09583	23.4
161.13297	9.5
165.09183	8.5
167.08560	11.9
169.10176	34.4
171.11696	23.7
173.09608	17.0
173.13303	13.3
175.11180	15.4
179.08566	10.1
181.10118	21.1
182.10851	9.4
183.11653	33.4
185.13260	19.1
193.10161	21.1
195.11705	33.1
197.13310	28.6
199.14795	15.9
205.10074	9.0
206.10791	8.5
207.11717	27.5
209.13272	28.9
211.11235	9.7
211.14857	13.9
213.12775	13.1
213.16359	11.3
219.11723	15.0
220.12584	8.1
221.13348	20.6
223.10947	7.3
223.14838	25.7
225.12761	10.5
225.16309	12.7
227.14325	15.0
233.13055	11.6
235.14687	17.8
237.16425	7.8
239.17928	8.3
247.14876	15.5
249.16472	10.2
251.14288	10.4
251.18015	15.2
253.15924	7.6
257.15170	7.6
263.17990	10.2
265.15771	8.1
267.17432	17.8
283.20563	7.7
295.16937	13.1
297.18521	9.1
330.52982	7.9
377.24432	13.3
391.26337	17.6
401.25055	14.1
407.25507	19.2
415.26569	8.6
417.27979	17.1
419.25848	100.0
423.28854	15.5
425.24631	10.5
433.27194	21.9
435.28900	54.9
437.26852	97.2
438.27121	11.8
443.25677	19.6
449.26791	9.5
451.28592	9.7
453.29855	20.7
461.26773	74.9
479.27850	75.6
519.47900	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.8
55.05511	22.2
61.04984	5.3
67.05511	31.4
69.03426	7.3
69.07066	9.0
76.98185	5.2
79.05505	19.1
81.03409	6.5
81.07058	29.4
83.04979	24.5
91.05492	26.9
93.07055	44.2
95.04959	11.5
95.08611	66.3
100.61084	4.8
105.07045	37.2
107.08598	34.9
109.06512	23.2
109.10155	14.5
111.04430	13.1
111.08080	15.0
117.07032	15.7
119.08581	42.9
121.06541	5.5
121.10134	20.9
123.01704	4.1
123.08080	40.8
125.06025	5.8
125.09623	8.6
128.06221	6.7
129.07008	12.6
131.08560	29.9
132.06580	10.8
133.10132	27.6
135.08049	22.8
135.11638	6.0
137.09607	12.0
139.07545	13.3
141.07094	5.5
141.09105	9.1
142.07837	7.3
143.08569	35.5
144.09317	7.5
145.06444	6.7
145.10101	30.1
146.10727	4.9
147.08063	8.1
147.11673	13.6
149.09662	9.9
151.11174	7.7
155.08524	23.5
156.09265	12.3
157.10147	45.9
159.08101	12.3
159.11710	24.5
161.09650	16.8
163.11206	6.6
165.06937	7.3
167.08592	13.5
168.09451	6.9
169.10115	39.7
171.07895	5.7
171.11717	32.0
173.09665	18.2
173.13240	13.3
175.11177	12.8
179.08611	11.8
181.10120	24.2
182.10893	6.0
183.11708	33.9
185.09598	11.8
185.13275	20.5
187.11179	22.4
189.12804	7.4
189.34900	4.8
193.10139	21.3
194.10913	12.3
195.11720	31.9
196.12494	9.2
197.09581	8.5
197.13211	25.0
199.11259	8.8
199.14847	8.9
201.12804	6.6
205.10100	6.7
206.10869	7.1
207.11694	19.6
209.09555	5.8
209.13246	29.3
211.11176	8.7
211.14870	14.3
213.12805	8.7
219.11803	9.1
221.13274	17.7
223.11172	13.0
223.14784	16.4
224.11891	7.1
225.12723	18.0
231.11804	8.1
231.13847	6.1
233.13181	8.2
234.13852	6.3
235.14803	14.8
237.12709	11.2
237.16415	10.5
239.14320	18.1
245.13341	7.0
246.13831	6.5
247.14816	16.0
249.12709	8.3
249.16481	8.6
251.14293	5.5
251.18021	11.8
257.15561	5.2
259.14828	8.4
261.12744	5.6
261.16412	16.4
263.17941	12.7
265.15942	6.9
267.13791	9.7
277.16052	5.7
279.17358	14.1
280.18188	5.9
281.15378	5.8
293.19019	6.9
295.17099	6.1
295.20618	8.7
297.18530	6.3
303.17374	6.6
321.18445	11.5
327.19501	18.2
341.20993	6.9
345.20718	33.3
377.24963	6.5
391.26276	8.9
393.28119	8.1
401.24631	10.6
409.27457	5.3
417.27789	16.3
419.25824	89.6
420.25830	7.0
421.23538	10.4
435.29007	81.2
437.26889	72.1
443.25806	21.7
451.28177	7.4
453.29739	14.5
455.27692	6.9
461.01114	4.9
461.26785	82.9
462.26898	6.5
466.31049	5.3
479.27997	100.0
480.27740	6.7
497.28830	16.5
533.24756	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.05506	7.1
57.07074	1.7
59.47668	1.2
60.67406	1.4
67.04707	1.4
67.05509	11.1
69.03431	1.8
69.07061	6.9
69.09308	16.2
71.01340	1.6
71.04992	1.8
79.05492	9.5
81.03416	2.3
81.07051	12.7
83.04983	17.7
88.72406	1.5
91.05495	12.8
93.07043	20.5
93.80531	1.7
95.04974	7.0
95.08604	28.4
97.06538	4.9
99.04454	2.3
99.08121	2.1
105.07028	19.9
107.08587	19.2
109.06506	10.7
109.10164	7.0
111.04435	9.5
111.08085	6.2
117.07025	9.4
119.08589	16.9
121.06522	8.0
121.10151	9.8
123.08054	22.8
123.11668	3.1
124.08382	1.6
125.09593	2.6
128.06223	2.4
129.06976	9.8
130.07828	1.7
131.08575	16.7
133.10109	15.1
135.08051	6.8
135.11687	4.5
137.05954	3.0
137.09608	4.5
139.07538	3.2
141.06996	5.8
142.07803	4.7
143.08554	18.4
145.10126	19.3
147.08069	4.3
147.11691	9.4
149.09564	2.9
149.13203	1.9
151.07523	2.1
155.08536	16.3
156.09335	3.7
157.06490	1.7
157.10118	23.6
158.10779	2.4
159.08060	5.9
159.11710	12.8
161.09619	6.5
161.13293	3.4
163.07521	1.8
163.11208	4.0
165.07037	2.2
165.09125	2.1
167.08568	6.2
168.09372	2.7
169.10133	16.3
171.08101	3.8
171.11685	15.0
173.09605	16.0
173.13249	8.6
175.11247	5.9
177.12724	2.0
179.08553	4.2
181.10133	10.8
182.10805	2.4
183.11713	14.2
185.09665	4.4
185.13254	10.7
187.11197	11.7
187.14841	4.4
189.12773	3.7
191.10652	3.2
192.09329	2.6
193.10165	6.8
194.10837	3.8
195.07991	2.0
195.11679	13.5
196.12427	4.0
197.09644	3.6
197.13271	16.5
198.14009	3.4
199.11229	4.8
199.14856	5.3
201.12698	2.4
203.10712	3.4
205.10187	3.9
205.12169	3.0
206.10953	3.3
207.11720	12.7
208.12360	2.8
209.09616	3.4
209.13258	16.5
210.13876	2.4
211.11249	4.5
211.14772	9.0
213.09064	1.8
213.12737	3.7
213.16374	2.6
215.14355	3.0
217.12231	3.2
219.11604	2.3
220.12537	2.5
221.13278	7.5
221.66899	1.6
222.14061	2.5
223.14809	8.0
225.09084	2.1
225.12752	7.0
225.16412	7.0
227.10745	3.5
227.14281	4.9
229.15967	2.3
231.11705	3.2
232.12498	2.5
233.13243	3.7
234.13823	2.2
235.14867	6.7
237.12717	3.0
237.16418	4.9
239.14319	5.0
239.17949	3.7
241.15820	3.7
243.13667	2.1
245.13261	3.4
247.14777	4.0
248.15602	2.0
249.16449	8.1
251.14294	3.0
251.18010	5.2
253.15858	3.0
253.19437	4.0
255.13858	3.7
257.15445	4.8
259.14734	2.3
261.16409	6.1
262.17062	2.9
263.14487	2.9
263.18051	5.1
265.15872	3.4
265.19415	2.0
267.13773	2.3
269.15308	5.0
277.16614	2.2
277.19412	7.7
279.13751	2.0
279.17459	4.0
281.15149	2.7
281.18967	3.5
283.17188	2.3
289.16061	2.2
291.17426	3.2
291.20993	2.8
293.18875	2.7
295.17114	3.5
295.20508	6.2
297.18637	2.0
307.17023	2.1
309.18744	3.9
317.19104	2.9
319.16910	2.6
319.20734	1.9
321.18570	4.9
321.22043	2.8
323.19962	5.3
335.19949	2.8
337.21536	2.2
339.19455	3.6
339.23169	2.4
341.21179	2.7
347.20193	3.1
351.23169	3.0
363.22925	2.9
365.21036	3.5
369.24216	4.0
373.25317	2.5
383.22400	10.0
391.26492	9.2
393.27798	5.1
399.26782	3.0
401.24768	6.5
405.27786	2.6
407.25754	3.6
415.26392	5.6
417.28033	12.1
419.25751	24.4
421.23633	14.4
422.23877	1.9
425.24847	4.0
431.25964	2.3
433.27481	7.7
435.29019	33.8
436.29248	3.1
437.26965	11.2
443.25861	16.8
449.26822	9.3
451.28323	5.9
453.30042	6.5
461.26868	70.1
462.27335	10.0
467.27756	10.4
471.30743	7.0
479.27957	100.0
480.28357	12.0
497.28986	89.8
498.29385	11.8
515.29956	10.9
533.25012	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.6
55.05516	26.1
67.05502	12.2
69.07087	5.4
69.11120	2.6
79.05491	9.3
81.07059	9.2
83.04983	100.0
84.05202	2.3
91.05458	15.2
93.07040	20.0
95.04994	4.8
95.08611	28.1
98.23404	7.8
105.07039	19.3
107.08601	15.3
109.06535	3.6
109.10155	5.6
111.04461	5.8
111.08067	6.1
117.07061	3.4
119.08576	21.2
121.06463	3.8
121.10165	7.5
123.08082	11.2
128.06187	3.5
129.06990	4.4
131.08588	12.3
133.10117	12.4
135.08061	5.2
135.11720	5.0
137.09645	2.9
142.07774	2.9
143.08603	12.2
145.06462	2.8
145.10126	18.3
147.08066	3.5
147.11719	8.5
155.08586	6.8
156.09364	3.4
157.10190	13.2
159.08044	4.7
159.11736	16.6
161.09671	8.1
161.13322	3.6
167.08617	5.2
168.09380	3.5
169.10153	12.0
170.10655	3.6
171.07974	3.4
171.11690	12.3
173.09622	5.3
173.13231	5.4
175.11252	3.9
180.09151	3.4
181.10152	6.6
182.10904	4.5
183.08327	2.9
183.11702	10.1
185.09656	3.9
185.13231	12.8
187.11244	5.6
187.14809	3.6
192.09375	2.9
193.10184	4.8
195.11658	5.5
197.13280	5.8
199.11147	5.2
199.14769	5.9
201.12891	3.8
203.14507	3.1
205.10089	3.9
207.11711	7.8
209.13231	8.8
211.11209	5.0
211.14958	3.3
213.12741	7.2
213.16451	5.0
220.12579	3.7
223.14752	5.4
225.12709	5.6
227.10667	2.8
227.14423	4.1
227.18065	4.1
229.15987	3.6
234.11577	3.0
237.12791	4.2
237.16231	4.6
239.14218	3.3
251.14149	4.0
251.18060	3.8
255.13617	3.1
261.16412	2.9
267.17480	5.3
283.16824	3.9
291.17670	3.2
293.15390	4.1
309.18552	3.3
323.20181	6.1
325.21649	7.0
327.19513	7.7
334.55719	3.4
345.20688	4.7
351.19525	4.1
367.26025	3.5
383.25647	8.3
407.25818	34.6
409.27393	8.5
415.22614	3.4
433.23611	6.0
451.24466	8.2
465.28793	6.7
479.28110	4.9
488.24890	5.0
489.26062	6.4
532.23743	26.9
532.32471	17.8
533.25269	32.4
533.32599	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21146	3.3
53.03931	8.5
55.01857	6.0
55.05506	39.6
57.07051	7.4
65.03945	5.5
67.05502	41.9
69.03435	7.1
69.07062	38.3
69.16956	32.6
71.04985	4.8
75.04523	3.5
79.05495	33.4
80.15230	3.6
81.03421	11.5
81.07047	52.5
83.04994	31.7
83.08598	10.6
91.05470	47.7
93.07038	65.1
95.04996	18.4
95.08605	100.0
97.02882	4.0
97.06514	10.8
97.10175	5.9
98.23354	7.4
99.04456	3.9
103.05462	4.0
104.82387	3.7
105.07019	69.4
107.07865	4.3
107.08583	68.5
108.37804	3.5
109.06504	17.9
109.10130	30.5
111.04419	15.5
111.08066	21.4
113.05976	6.0
113.40740	3.8
115.05438	9.2
117.06996	21.9
119.08565	82.3
121.06510	17.7
121.10133	38.2
123.08073	25.5
123.11687	10.5
125.06015	4.7
125.09595	5.4
128.06190	6.3
129.07043	26.6
129.07841	4.6
130.07722	4.5
131.08582	51.9
133.10121	56.5
134.30128	3.5
135.08051	25.6
135.11668	15.9
137.09628	9.0
139.07516	15.5
141.06953	12.1
141.09064	8.2
142.07770	19.8
143.08577	56.2
144.09293	6.2
145.06459	7.3
145.10115	67.5
147.08032	13.0
147.11678	34.6
149.09676	7.2
149.13225	8.2
153.06982	4.5
155.08527	22.3
156.09311	13.6
157.10126	81.1
158.10910	6.4
159.08057	14.5
159.11681	60.7
160.12378	7.3
161.09648	22.5
161.13214	22.8
163.11168	11.1
165.06973	8.6
167.08595	7.5
168.09395	9.5
169.10106	35.4
170.10860	13.1
171.08064	6.2
171.11693	56.9
172.12396	5.1
173.09621	14.6
173.13234	38.6
175.11151	17.0
175.14754	6.4
177.09007	4.3
177.12706	5.0
179.08498	8.1
179.10667	4.7
181.10081	15.6
183.11684	34.3
184.12424	8.9
185.09584	9.9
185.13232	44.4
187.11221	18.6
187.14803	22.5
189.12727	8.4
193.10179	14.2
194.10873	4.0
195.10146	6.6
195.11679	17.5
196.26762	4.2
197.09590	6.1
197.13232	26.0
198.14027	6.0
199.11134	10.6
199.14813	30.3
201.08994	5.0
201.12718	16.3
201.16357	8.9
205.10245	4.2
207.11749	7.3
209.13257	19.7
211.11235	7.0
211.14793	16.1
213.09142	3.9
213.12759	11.1
213.16362	17.3
215.14262	4.8
215.17963	7.7
219.13774	4.2
221.13338	9.2
223.11237	5.0
223.14772	15.4
225.12761	9.0
225.16368	17.4
226.16989	4.8
227.10654	5.3
227.14285	10.5
227.17862	21.8
229.15828	6.3
235.14882	10.3
237.12791	5.6
237.16360	11.9
239.14340	7.1
239.17889	10.2
241.15889	8.7
241.19530	34.6
243.55978	4.3
249.16396	5.3
251.14229	8.5
251.17963	9.3
253.12262	4.5
253.15918	9.5
253.19452	8.5
255.21159	4.4
257.15332	6.3
259.17004	5.0
261.16519	4.7
267.17300	4.5
267.21106	6.6
269.15585	4.9
269.18921	14.8
279.17444	7.2
281.15326	4.2
283.16779	6.8
295.20639	6.8
297.18530	4.7
307.16995	4.5
327.19730	4.3
341.24747	5.6
363.26788	7.0
365.24673	11.9
367.26184	18.0
373.24881	6.1
379.26434	6.4
381.28055	27.7
391.26245	13.7
401.25070	4.6
407.25192	5.4
409.27350	38.7
410.27701	4.9
415.17358	5.7
419.25980	9.7
425.25311	4.7
433.27142	4.9
435.28708	17.1
437.26639	15.0
443.25751	9.6
449.26904	10.3
451.28418	5.0
461.27075	18.0
479.27792	21.0
489.25931	6.2
497.29041	13.2
498.29742	6.8
515.29944	14.4
526.30267	3.9
532.14233	4.4
533.15771	4.9
533.24994	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88351	3.9
53.03957	7.2
54.89389	3.7
55.01890	3.7
55.05515	32.1
56.94509	3.8
57.07078	3.8
57.76251	3.6
67.05508	36.5
67.38442	3.8
69.07069	24.3
71.04993	3.9
79.05511	24.1
81.07060	43.8
82.10689	3.6
83.04985	33.8
83.08633	8.7
85.06535	5.4
91.05476	32.2
93.07054	40.0
95.04993	11.0
95.08604	82.1
95.09158	6.2
97.10168	4.7
105.03405	7.9
105.07025	74.1
107.08600	48.3
108.23349	4.3
109.06517	9.1
109.10165	25.5
111.04448	8.6
111.08095	13.3
113.06017	4.7
115.05429	4.5
117.07030	14.4
119.08580	77.4
121.06479	7.1
121.10139	34.9
123.08065	25.3
123.11745	6.1
125.09606	6.6
125.33143	3.3
128.06277	8.8
129.06964	21.1
130.07761	4.2
131.08574	37.9
133.10126	46.9
135.08090	11.6
135.11736	9.1
137.09630	4.7
139.07542	6.5
141.00969	3.8
141.07022	6.0
141.09090	5.4
142.07797	13.9
143.08572	49.8
145.10115	48.8
147.08102	7.4
147.11650	25.0
149.09674	6.8
155.08565	14.5
156.09390	12.6
157.10132	60.2
158.10846	6.2
159.08084	12.5
159.11696	52.9
161.09656	19.4
161.13252	23.6
163.11223	11.3
163.14917	3.9
168.09283	7.0
169.10112	18.6
170.10828	5.4
171.11702	47.6
173.09639	6.8
173.13239	35.9
175.11205	13.5
175.14850	12.6
180.09373	4.1
181.10101	9.0
182.10910	4.6
183.11681	31.2
185.09694	5.2
185.13283	36.8
186.13876	4.1
187.11211	18.9
187.14812	25.8
189.12816	14.2
193.10133	4.9
195.11707	15.5
196.12434	3.8
197.13248	21.8
198.14127	4.1
199.11218	8.7
199.14796	23.3
201.12769	6.5
201.16422	10.7
203.14398	7.2
207.11803	7.5
209.13283	15.8
210.13898	6.4
211.11293	4.5
211.14861	25.8
213.12697	12.8
213.16422	16.6
215.14360	15.0
223.14859	9.9
225.16400	10.6
227.14343	10.7
227.17905	28.9
229.15868	13.8
229.19498	4.9
231.17494	4.4
235.14743	4.5
236.15622	4.1
237.16382	7.8
238.13123	4.2
239.14258	6.3
239.17958	8.0
241.15903	10.5
241.19533	21.2
243.21127	8.7
251.18011	13.7
253.16135	4.5
253.19458	6.0
255.17506	7.5
263.14337	3.7
265.16113	4.6
267.17404	5.9
269.18997	30.5
295.20554	13.6
325.21799	4.0
351.23047	8.5
363.27002	7.9
367.26361	47.2
369.24203	17.5
381.27933	25.0
385.27402	6.2
391.26266	26.3
401.19516	11.1
409.27371	100.0
410.27515	7.6
479.27298	5.2
540.11853	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81480	3.0
53.03947	8.7
55.01866	5.1
55.05512	38.6
57.07080	5.9
57.76507	3.1
65.03958	5.9
67.05508	52.6
69.03426	7.1
69.07068	36.4
73.49120	3.4
75.86098	3.8
77.03910	4.1
79.05491	29.0
80.10549	4.0
81.07058	51.2
83.04981	39.1
83.08624	18.4
85.06526	4.5
91.05483	49.9
91.50618	3.3
93.07041	70.6
95.04992	17.1
95.08605	91.2
97.06564	7.9
97.10198	4.4
98.23405	5.4
99.04460	3.9
99.08105	4.6
103.05463	27.9
104.05822	8.5
105.03418	5.7
105.04552	4.1
105.07025	80.5
105.07668	6.2
107.08594	61.0
109.06519	9.8
109.10161	30.6
111.04438	19.2
111.08072	20.9
115.05447	5.7
117.07012	27.7
119.08580	96.1
119.09443	4.7
121.06522	14.4
121.10139	36.3
123.00806	6.7
123.04639	3.0
123.08076	28.9
123.11722	10.1
125.09628	6.9
128.06227	7.0
129.07022	24.4
130.07791	8.1
131.04942	34.3
131.08583	55.1
131.34572	3.5
132.05316	10.2
133.10138	59.7
133.11067	5.7
135.08043	19.8
135.11687	15.5
137.09619	9.7
139.07533	10.5
141.06990	11.6
141.09129	8.5
142.07785	18.6
143.08574	58.8
144.59926	3.1
145.06526	8.4
145.10123	78.6
147.08064	10.3
147.11684	33.9
149.09641	7.8
149.13258	9.6
151.11061	3.8
153.06879	4.0
155.08531	25.9
156.09355	18.2
157.10132	82.7
158.10799	6.9
159.08072	13.7
159.11674	61.8
160.12418	3.9
161.09618	32.0
161.13226	25.9
163.11183	12.4
165.06949	7.4
167.08565	11.9
168.09296	5.8
169.10143	33.6
170.10902	10.2
171.08069	6.7
171.11690	62.7
172.12376	5.1
173.09621	13.5
173.13263	47.7
175.11237	12.3
175.14853	8.4
177.12820	4.2
179.08611	8.2
179.10738	5.8
181.10130	9.1
182.10927	9.9
183.11676	38.9
184.12439	7.9
185.09621	13.2
185.13264	53.2
186.10455	4.3
187.11227	16.0
187.14786	36.4
189.12701	17.0
189.16389	8.0
193.10176	11.9
194.10818	5.1
195.11737	25.6
197.09619	5.9
197.13312	25.4
198.14059	5.7
199.11221	15.0
199.14798	29.5
201.12794	14.2
201.16417	14.3
203.10597	3.7
203.14285	7.5
203.17949	7.4
205.12286	4.4
207.11702	11.5
209.13297	23.7
210.13905	5.4
211.11224	9.2
211.14799	23.7
212.15378	5.0
213.12807	12.5
213.16370	20.0
215.14375	12.9
215.17992	7.2
219.11746	4.8
221.13321	9.3
223.11215	7.5
223.14761	19.6
224.12004	3.8
225.12766	10.6
225.16397	19.0
227.14328	13.0
227.17897	36.5
229.15900	13.5
229.41235	3.9
231.13817	4.3
231.17279	6.4
233.13358	6.3
235.14864	5.7
237.12723	4.8
237.16391	12.1
238.13721	4.1
239.14281	8.2
239.17886	8.5
241.15948	9.6
241.19455	25.8
243.17511	3.5
243.21104	8.9
245.15538	4.8
251.14319	4.1
251.17978	14.5
253.15797	6.0
253.19475	11.0
255.17422	7.9
259.17075	5.2
261.16293	5.0
263.17752	4.4
265.19522	6.0
267.17407	7.1
267.21066	5.4
269.16135	5.0
269.18982	32.9
271.20578	4.4
277.19397	3.5
279.17499	8.0
281.19028	9.4
281.22415	4.5
282.23413	4.3
293.19135	5.0
295.20663	15.4
299.20056	4.0
311.19897	7.0
331.20172	4.2
351.23312	9.4
363.26788	10.7
367.26364	46.8
368.26367	6.2
369.24261	11.0
373.25400	7.0
381.27802	31.7
385.27402	5.3
391.26221	28.7
409.27386	100.0
419.25797	10.6
435.28870	14.2
461.26846	7.6
479.28473	8.2
532.23956	10.5
532.32147	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	19.9
55.05499	13.3
57.03425	9.5
67.05505	36.7
67.30656	8.5
69.03435	45.3
69.07065	15.6
69.40923	55.9
71.04988	10.3
73.02921	10.8
79.05502	30.5
81.03410	22.0
81.07066	56.2
83.05006	12.7
85.02907	42.0
86.09695	16.8
87.04501	11.6
91.05486	32.7
93.07043	29.0
95.04983	10.3
95.08619	38.3
96.07503	9.9
97.02898	25.9
104.10750	19.6
105.07042	56.4
107.08604	36.6
109.02892	13.9
109.06516	29.0
109.10139	34.0
111.41800	9.1
115.03947	17.1
117.07006	14.1
119.08591	76.9
121.06504	12.8
121.10143	27.0
127.03981	10.6
128.06183	9.2
129.06958	11.5
131.04942	9.3
131.08569	24.0
133.04962	31.2
133.10138	63.1
134.38730	9.5
135.08080	16.8
135.11639	16.8
137.05981	39.4
138.06410	13.6
143.08522	25.8
145.04951	12.0
145.10133	35.0
147.11731	35.1
155.08534	14.3
156.09334	18.5
157.10150	37.8
159.08066	30.2
159.11685	30.1
161.09651	25.5
161.13202	20.9
169.10115	24.8
171.08118	13.9
171.11751	22.5
173.09639	10.2
173.13245	13.7
181.10110	17.7
183.11705	19.1
184.07411	13.6
185.13231	20.2
187.11215	38.8
195.11671	23.8
197.13293	32.9
203.10852	10.5
203.17966	99.3
204.18201	12.9
207.11604	14.0
209.13281	20.5
211.11121	9.3
215.10733	11.2
221.13310	12.2
221.19070	10.9
227.14311	14.7
235.14810	11.7
243.13853	24.6
263.17773	12.4
272.87292	10.0
279.17343	13.1
281.15411	11.7
295.20505	13.7
297.18390	12.7
325.18036	53.1
343.18991	100.0
355.94656	10.1
371.22589	14.2
419.25934	10.4
424.67523	9.6
436.23422	9.5
437.19745	15.3
439.24805	24.4
461.26941	36.8
479.28012	84.0
492.34195	10.5
497.28922	28.6
532.37024	12.1
533.25336	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	22.9
62.18819	5.7
63.69524	6.4
67.05498	11.9
69.20107	46.8
75.82049	7.1
79.05490	14.1
81.07045	25.1
83.04986	28.8
91.05492	16.2
93.07040	19.5
95.08615	30.9
103.05382	9.1
104.90697	7.0
105.07064	21.7
107.08602	17.8
109.06541	18.2
109.10141	12.6
111.04424	8.7
111.08078	11.1
119.08563	22.5
121.10114	8.3
123.08134	8.4
131.04955	8.8
131.08578	15.2
133.10211	15.5
133.11209	6.3
135.08067	7.8
135.11734	8.0
137.05977	22.0
141.06895	7.7
143.08583	10.1
145.10159	22.5
147.08101	8.9
147.11653	9.2
149.09656	7.8
155.08542	17.6
157.10129	20.0
159.08086	7.9
159.11716	7.3
161.09651	9.5
167.08635	6.9
169.10130	14.8
171.11702	13.7
171.45036	7.0
173.13210	9.1
181.10088	16.4
183.11743	17.5
185.09798	6.6
185.13272	10.7
187.11278	9.1
189.12694	9.0
192.09355	7.7
193.10115	13.1
197.13118	8.8
206.10860	7.2
207.11729	12.3
209.13223	17.3
219.11607	14.5
221.13261	21.1
222.13916	7.7
223.14734	8.9
227.86565	8.1
233.13275	9.2
235.14769	7.4
237.12810	9.0
245.13206	6.9
247.14883	10.4
249.12634	9.6
251.14313	7.1
261.16312	8.2
267.13803	8.4
272.45865	6.8
275.13971	7.7
298.46155	6.8
303.17639	7.2
304.17776	8.4
311.09244	9.1
321.18359	11.5
341.13858	14.3
342.59415	6.9
343.11694	17.6
358.14160	43.2
361.47305	7.9
403.22592	8.4
415.17380	22.2
415.26117	8.5
417.28058	17.2
421.23911	17.2
433.27185	30.2
443.25879	40.8
451.28537	8.9
461.26907	99.7
479.27985	100.0
480.28110	9.0
497.29166	8.4
533.23981	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.8
55.01867	3.9
55.05516	8.5
58.96957	2.3
59.63749	2.4
65.03947	2.9
67.05499	7.6
67.74093	2.8
69.03429	32.9
69.07064	6.6
70.53399	5.4
71.04984	2.9
79.05504	15.4
81.07062	69.2
83.04978	6.7
83.08640	3.6
84.49210	2.8
85.02903	5.9
85.06548	5.0
91.05474	22.3
93.07038	17.4
95.04971	12.7
95.08604	25.4
96.44891	2.6
97.02899	9.7
97.06558	3.6
99.04454	3.1
105.07011	26.9
105.75816	2.9
107.04965	5.8
107.08585	18.1
109.06522	88.5
109.10187	7.0
111.04452	8.2
111.08087	6.8
115.05429	3.7
117.07036	9.8
119.08584	21.5
119.10449	2.7
121.06501	5.9
121.10130	7.5
123.08098	8.9
127.07568	4.3
128.06239	3.9
129.07021	8.8
131.04977	4.8
131.08597	17.5
133.04951	4.7
133.06505	6.8
133.10147	10.0
135.08067	7.6
135.11760	4.2
137.05981	71.9
137.07031	4.1
138.06322	4.9
139.03926	2.8
139.07536	24.7
141.06995	5.1
142.07788	8.8
143.08583	21.6
145.06451	6.3
145.10095	17.5
147.08040	17.6
147.11678	9.8
149.05966	3.9
149.09645	6.7
151.07532	3.1
153.06960	4.6
155.07092	18.2
155.08398	16.6
156.09239	3.6
157.06497	5.9
157.10133	31.0
159.08083	8.5
159.11674	10.5
161.05936	6.5
161.09561	6.7
161.13251	5.6
163.07558	6.1
165.06990	5.6
167.08563	5.1
169.10117	15.1
171.08034	7.1
171.11685	11.1
173.09619	10.5
175.07578	8.5
175.11201	3.7
177.09119	8.4
179.07048	3.8
179.08569	8.9
181.10123	11.9
183.07922	3.7
183.11682	9.6
185.05981	2.8
185.09628	7.6
185.13248	3.4
187.07558	4.7
187.11340	3.7
189.09137	6.7
191.08450	3.7
191.10811	3.8
193.10109	8.4
195.08046	5.4
195.11700	11.5
196.12575	3.7
197.09607	9.1
197.13271	11.2
199.07561	5.1
199.11212	8.5
202.16768	2.9
203.10692	5.4
205.10190	4.6
206.10858	3.2
207.11684	9.3
208.08838	4.6
208.12495	5.9
209.09662	5.3
209.13301	13.2
210.10309	3.5
211.07716	4.5
211.11203	8.3
213.09134	7.8
215.10719	10.5
217.12323	9.8
219.09967	5.5
219.11867	4.9
221.09753	3.7
221.13297	8.0
223.11156	5.3
223.14854	10.7
225.12737	4.4
225.16284	4.1
227.10696	5.0
227.14276	13.1
229.12332	5.8
231.10043	3.7
233.13379	4.9
235.11223	5.7
235.14870	4.4
236.11971	3.8
237.05315	3.1
237.09174	4.0
237.12759	6.0
237.16293	3.8
239.10518	3.2
239.14331	4.5
243.13925	3.1
247.11134	4.0
247.14862	6.0
249.09158	3.2
249.12732	7.0
251.10678	5.1
251.14392	5.5
255.13869	5.1
261.12888	3.7
261.16525	3.5
263.14282	5.3
265.12686	3.3
265.16010	7.6
265.19519	18.4
269.15457	18.0
275.14560	4.8
279.13785	4.7
281.15576	5.0
283.13315	7.2
283.16959	7.6
283.20306	3.5
291.13773	5.5
293.15265	5.9
295.16840	3.8
303.17493	3.6
307.20615	4.6
307.35461	3.6
309.14899	22.1
311.16516	6.8
321.14822	10.3
321.18317	4.3
325.18054	3.1
325.21594	85.3
326.21799	6.9
337.17923	3.3
339.12042	5.5
339.15921	51.6
340.16156	5.5
343.22589	19.6
369.17029	14.7
381.16968	4.2
391.18808	3.5
399.18011	34.2
403.17661	4.8
407.18542	10.0
409.20135	4.1
419.18442	21.0
419.26248	4.3
421.19992	6.4
425.19418	14.3
435.21631	3.2
437.19507	100.0
438.19748	6.4
439.20847	3.8
443.25851	4.3
451.20743	4.8
453.22791	8.7
453.94040	2.9
455.20056	13.5
461.19885	6.8
461.26645	8.0
469.21857	3.1
479.20541	22.0
479.27863	42.4
497.21786	34.7
497.29047	12.7
498.22034	3.7
515.22894	11.8
532.23547	9.1
532.39197	3.6
533.24963	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	7.2
55.05506	30.0
58.52983	5.9
65.91156	5.9
66.37956	6.6
67.05503	37.6
69.03438	8.1
69.07076	17.7
71.01340	9.6
71.04977	7.0
71.31360	8.7
75.09134	5.9
79.05486	26.3
81.03426	12.7
81.07053	44.3
83.04982	32.4
83.08650	8.0
85.02889	15.5
91.05473	41.7
93.07034	64.6
95.01332	13.5
95.04951	16.2
95.08598	89.8
97.06533	14.3
97.10163	7.4
103.05489	7.1
104.10676	7.4
105.07027	58.6
107.08586	53.7
108.64690	6.7
109.06544	24.5
109.10152	24.7
111.04464	12.9
111.08077	23.7
113.02374	12.6
117.07029	18.9
119.08576	81.2
121.06509	17.3
121.10136	41.0
123.08094	26.1
123.11663	6.5
129.07053	11.1
130.07826	6.5
131.08551	39.5
133.06488	9.1
133.10135	50.3
135.08096	19.8
135.11679	13.7
137.05945	7.5
137.09633	7.9
139.07538	10.7
141.09120	8.9
142.07808	12.9
143.08559	33.4
144.09337	7.5
145.06526	9.2
145.10146	70.3
147.08061	14.4
147.11668	30.2
149.09634	10.5
151.11136	8.6
155.08537	20.8
157.06461	6.6
157.10138	63.7
159.08060	7.7
159.11684	41.8
161.09618	22.3
161.13278	14.6
163.11319	11.2
169.10162	25.8
171.11664	34.5
173.09607	18.5
173.13304	22.5
175.11131	8.7
179.08485	8.2
181.10147	19.9
182.10835	8.1
183.11700	25.2
184.07361	10.7
185.13266	37.0
187.11229	17.9
187.14882	19.1
189.12801	12.8
193.10202	14.9
194.10838	8.6
195.11790	15.2
197.13309	23.6
197.26038	6.7
199.14859	17.9
201.12871	8.0
209.13257	21.6
211.14964	11.8
213.12756	7.3
213.16422	10.0
215.14249	8.0
221.13315	10.5
223.14864	17.3
225.12721	11.4
225.16356	13.4
227.14386	14.3
227.17926	47.5
229.15834	8.9
235.14870	11.2
237.16348	8.9
239.14326	10.0
241.15771	10.7
247.14758	7.6
257.15506	7.6
259.16882	7.0
263.14285	6.9
263.17993	8.1
265.15729	7.1
279.17520	9.0
281.15295	6.7
305.18805	7.6
321.18365	9.2
322.05563	7.2
323.20120	11.0
325.21597	8.7
327.23199	13.3
348.26328	7.2
365.21237	7.9
367.26315	100.0
368.26758	9.5
371.14966	7.1
371.22037	8.6
385.27444	18.4
391.26584	9.1
401.15689	8.5
403.22522	9.2
419.25717	18.2
421.23816	22.4
433.27170	9.9
437.26782	25.7
439.24881	21.9
461.26913	43.1
465.29800	14.0
474.24304	7.9
479.27966	99.0
480.28320	10.2
483.30997	16.4
497.28809	55.8
515.30273	7.3
532.23987	29.6
532.36786	6.2
533.24042	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87846	2.2
55.05504	5.1
67.05502	15.3
69.03436	3.0
69.07068	5.7
69.23124	20.0
79.05478	9.6
81.07054	19.2
83.04977	6.0
91.05482	13.5
93.07030	15.3
95.04984	6.0
95.08607	25.5
97.06504	4.9
105.07031	13.0
107.08610	17.2
108.22054	2.7
109.06516	4.6
109.10143	10.0
111.08076	3.5
117.06988	5.3
119.08595	13.8
121.06511	4.0
121.10149	8.1
123.08092	14.2
123.11732	4.3
125.09624	2.6
129.07021	3.8
131.08553	12.7
131.65739	2.5
133.06441	2.5
133.10133	10.2
135.04407	3.3
135.08064	5.6
139.07520	3.2
143.08546	10.8
145.10110	12.5
147.08044	3.4
147.11691	6.6
153.09055	3.0
155.08539	6.4
156.09323	4.1
157.10127	13.2
159.11697	10.0
161.09592	5.3
161.13278	2.5
167.08498	4.7
168.09386	2.5
169.10110	10.4
171.08061	3.2
171.11673	10.1
173.09653	4.7
173.13268	7.5
179.08577	2.8
181.10130	9.2
183.11711	9.8
185.13248	6.4
187.11113	5.2
189.12662	2.5
193.10185	3.8
195.11658	10.2
197.13220	8.1
199.11168	4.1
199.14896	3.3
206.10883	2.9
207.11707	8.4
209.13203	6.7
211.11137	2.9
211.14816	3.5
213.12843	3.8
215.14336	3.2
217.45247	2.6
221.13206	5.9
222.33147	2.8
223.11156	4.4
223.14877	3.5
225.12727	9.9
225.16367	3.0
227.14224	4.0
229.15894	3.3
231.13788	2.7
233.13197	4.9
235.14798	5.5
237.16328	4.9
239.14255	5.4
241.12361	2.8
243.14064	3.3
247.14810	3.7
251.14236	4.1
251.18015	3.6
261.16327	8.4
261.22183	3.8
265.15805	3.8
275.17587	2.9
279.17380	6.9
279.21100	2.6
281.15176	3.6
281.18658	3.6
285.14752	2.7
305.19025	4.4
340.20166	2.6
346.90680	2.9
347.19739	2.4
365.21152	4.3
391.26147	3.2
395.25769	6.2
409.27628	3.1
419.25745	35.9
420.26282	2.9
433.26813	3.1
435.29010	27.0
437.26874	100.0
438.27142	9.8
439.24722	13.9
443.25751	7.0
461.26828	34.5
479.27914	77.1
480.28232	6.4
497.28690	7.6
532.27374	4.8
532.36993	5.0
533.23566	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92360	2.7
55.05510	11.5
67.05509	36.7
69.07053	6.9
79.05502	23.7
81.07059	47.0
83.08626	6.4
85.06522	2.8
91.05487	14.0
93.07053	30.2
95.08607	29.1
98.22649	6.1
105.07043	10.8
105.33191	2.7
107.08597	21.0
109.10143	18.9
109.85769	2.7
117.06997	7.8
119.08603	12.3
121.10154	17.0
123.11710	9.2
131.08582	15.8
133.10172	11.1
135.11676	14.6
143.08609	3.9
145.10147	11.1
147.11693	6.1
149.13264	11.5
159.11693	6.5
161.13300	6.2
163.14891	10.3
171.11848	2.8
173.13274	7.3
175.14955	3.7
202.09756	2.8
225.09041	3.4
243.21059	18.9
253.08687	3.3
261.22177	54.3
262.22763	3.6
268.07126	3.9
280.10806	3.4
295.13214	3.1
296.13730	3.6
298.08054	2.8
298.11655	2.9
299.09521	4.1
309.11081	4.1
313.10760	3.4
314.10968	6.2
323.12958	3.2
324.13071	5.2
325.14072	4.2
335.25659	5.6
341.13821	3.1
353.26944	12.7
355.15680	3.6
356.16058	11.9
356.84793	2.8
357.16470	9.1
364.12500	7.0
378.13913	4.5
379.14975	6.0
388.18488	7.7
409.16275	16.0
410.16592	32.2
507.24564	3.3
514.36102	3.8
532.20270	100.0
532.28369	5.8
533.21472	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51354	5.1
55.05500	20.6
57.03440	7.3
57.53506	5.4
58.86234	5.7
59.66026	5.7
60.33831	5.6
61.02935	9.6
67.05505	100.0
69.07069	16.8
69.12836	23.9
69.13262	24.6
72.25574	5.5
79.05490	44.8
79.78672	5.3
81.07053	90.2
82.53448	5.1
84.35899	4.7
85.02908	8.2
91.05488	34.7
93.07044	66.2
95.08608	86.6
99.08076	8.6
101.13665	5.4
105.07041	24.9
107.08567	49.9
109.10152	41.8
110.31278	6.1
117.07030	10.3
119.08591	18.6
121.10155	35.5
123.11701	18.6
131.08578	19.6
133.10141	13.3
135.11668	23.1
145.10152	20.6
147.11679	21.1
149.13297	24.5
157.09976	5.9
159.11732	15.4
161.13239	10.9
163.14816	18.4
173.13257	23.5
177.16528	6.5
187.14857	10.5
243.21025	31.4
258.76352	6.8
261.22128	99.2
261.24680	8.0
262.22400	6.4
335.25644	31.1
353.26965	32.5
437.25623	11.2
479.26865	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.1
62.98245	10.1
67.05504	12.8
69.29402	22.4
69.29811	6.8
77.31470	4.2
79.05482	7.2
80.16582	3.7
81.07056	19.4
83.04993	4.7
83.08622	4.3
83.69337	4.4
91.05485	11.9
93.07038	16.5
95.08606	28.7
99.72971	4.1
103.05473	20.4
105.03393	9.4
105.07006	11.6
107.08588	17.4
109.10162	11.9
113.39256	4.4
117.07023	5.0
119.08604	18.0
121.10134	15.9
123.08060	6.1
123.11755	5.2
128.02257	5.3
131.04930	34.8
131.08560	10.6
132.05251	11.2
133.10129	15.9
135.11711	9.8
145.10136	12.1
147.08081	4.5
147.11676	11.5
149.13252	7.4
157.10112	6.3
159.08058	4.6
159.11728	9.4
163.11168	4.7
171.11710	4.8
173.09648	4.9
173.13301	4.9
173.60648	5.1
175.14809	7.0
177.26544	4.0
181.12331	4.6
185.13298	6.1
187.14899	6.4
201.12700	5.0
201.16443	5.6
203.14290	7.7
209.82497	5.2
213.16342	7.6
217.15738	6.2
221.15317	6.4
233.15347	5.1
235.16985	8.3
249.18620	6.4
293.22586	6.2
371.14716	8.0
384.12878	5.1
415.17331	7.9
433.30844	25.6
451.31894	29.9
452.32349	5.9
469.33127	19.6
476.17599	5.2
514.29431	9.9
532.24023	9.9
532.30908	100.0
533.23175	6.4
533.30737	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55981	5.1
54.94400	5.6
55.05491	7.5
57.07073	5.6
62.98272	5.9
67.05515	6.9
69.38563	37.8
70.82221	5.5
76.46247	6.1
79.05492	6.2
81.07044	10.6
89.06031	6.6
93.07075	10.6
95.08607	10.8
103.31396	5.2
107.08592	10.6
108.72894	4.7
109.10148	6.3
117.73714	5.1
121.06501	5.0
121.10151	5.5
131.08501	7.0
133.10165	8.8
145.10158	9.9
159.11739	6.8
173.09621	7.9
178.96713	5.7
195.00298	14.7
359.90308	5.3
387.55225	6.7
404.81009	5.9
440.77780	6.4
451.31989	18.6
514.29669	7.4
532.31067	100.0
532.39703	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01865	1.0
55.05512	21.5
56.05037	12.1
57.07080	9.5
60.04224	1.1
60.04528	22.1
65.03941	5.9
66.59071	1.0
67.04244	2.6
67.05505	96.3
68.05020	1.6
68.05840	1.3
69.06728	1.3
69.07072	18.7
69.18230	8.3
70.06588	2.3
70.07398	1.1
71.08617	4.0
73.79792	1.0
79.05492	35.5
80.05019	9.3
81.03434	2.0
81.07057	62.9
82.06580	36.1
82.07349	2.2
83.04982	1.6
83.08616	13.3
85.10173	1.6
86.06068	3.1
91.05481	34.3
92.05813	1.3
93.05780	1.3
93.07043	21.0
94.06569	12.6
95.04965	4.6
95.08604	51.0
96.08121	9.5
96.08732	1.0
96.08978	1.2
97.06506	1.4
97.10161	6.3
98.06048	1.4
100.07601	1.2
103.05470	2.6
103.52699	1.1
105.00079	1.1
105.04540	1.1
105.07028	21.3
106.06546	4.3
107.08585	10.3
108.08118	4.0
109.10155	27.7
110.06048	2.3
111.11700	1.3
112.07618	2.1
114.09163	1.1
115.05469	2.5
117.07019	22.7
119.08566	20.2
120.08112	9.4
121.06470	1.4
121.08898	13.9
121.10155	11.4
122.09662	2.9
123.08041	0.9
123.11697	13.6
128.10738	1.0
129.06999	1.1
130.07803	1.2
130.27972	0.9
131.04958	2.4
131.08571	26.2
133.06467	1.3
133.10130	13.8
134.09639	6.2
135.08043	1.4
135.10545	1.7
135.11674	6.5
137.05998	4.3
143.08540	1.9
145.06473	1.7
145.10117	18.0
147.10466	1.7
147.11696	3.4
148.11174	2.9
149.13278	3.5
155.17911	1.0
159.11703	10.1
161.12082	1.0
161.13278	3.4
162.12747	1.4
163.11198	1.2
163.14828	1.8
165.16399	2.0
173.13280	2.6
175.14832	2.0
177.16464	1.1
180.01947	1.0
193.12244	1.0
195.09827	1.7
201.16295	1.2
203.17941	3.3
205.12213	1.1
205.19507	1.2
207.13837	1.4
215.17836	4.9
217.19492	3.3
231.21075	8.5
243.21068	27.7
244.21390	2.8
247.16814	1.4
248.23790	2.8
254.24838	2.2
257.70349	1.0
260.23737	100.0
261.22037	3.7
261.24182	3.2
272.25854	19.6
276.57376	1.0
278.24789	19.0
287.59579	1.1
336.28964	6.2
342.71634	1.3
350.30472	1.9
368.31635	6.7
470.14966	1.1
514.46259	6.2
532.24103	2.2
532.36310	10.4
532.47467	6.1
533.36902	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31260	0.5
53.03942	1.7
55.01876	3.3
57.03441	1.3
61.02927	1.3
65.03929	3.6
67.05511	0.7
68.99783	2.0
69.03423	7.3
70.85085	0.6
71.04995	3.7
71.31613	0.6
79.05489	2.4
81.03426	5.2
81.07042	2.5
85.02902	12.9
88.50950	0.6
91.05499	1.2
93.03391	1.2
93.07048	1.2
95.01316	1.5
95.04941	1.1
95.08591	0.9
95.79646	0.5
97.02901	4.2
97.15860	0.6
105.03390	1.0
105.04560	0.7
105.07029	1.7
107.04980	1.2
107.08593	1.0
109.02855	0.7
109.06492	1.6
109.10168	1.0
111.04445	1.4
115.05442	3.3
117.07008	1.5
118.59239	0.6
119.04903	1.6
119.08569	1.7
121.02890	1.3
123.04431	1.7
125.02308	1.0
127.03908	1.2
128.06229	2.8
129.05518	0.8
129.06998	10.0
131.04932	2.2
131.08568	0.7
133.06506	0.9
135.04416	78.9
136.04747	1.9
137.05975	2.1
138.06297	0.8
139.03889	0.9
139.07555	2.1
142.07780	0.7
143.04906	5.6
143.08562	2.7
145.04974	1.0
145.06462	1.8
145.10109	1.0
147.04439	2.5
149.02341	100.0
150.02728	1.2
151.03914	4.3
155.04901	1.2
155.06046	0.7
155.08543	1.3
157.06493	12.3
157.10081	1.3
159.04425	2.1
159.08064	1.5
159.11742	1.0
160.05240	0.7
161.05997	1.7
161.09619	0.9
163.03920	2.3
165.05450	0.7
165.07048	1.1
165.09123	1.0
167.07036	2.2
167.08485	0.9
169.10083	1.0
171.04446	3.6
171.08015	1.1
173.05965	6.0
173.09668	1.4
175.03885	1.4
175.07562	1.2
175.11226	0.6
177.05467	2.1
179.08600	1.5
181.06554	0.7
181.10103	1.3
183.04446	0.8
183.11621	1.3
185.05948	3.9
186.06682	0.6
187.07556	10.8
187.11151	0.8
188.07968	0.7
189.05435	5.8
189.06841	0.8
191.08556	2.7
193.06543	0.8
193.10219	1.0
195.11639	0.8
196.05292	0.9
197.05965	0.9
201.05463	21.4
202.05884	1.0
202.07759	1.1
203.07014	5.0
203.08662	1.0
207.08038	1.1
209.06052	0.9
211.07506	1.7
213.05490	2.3
214.00577	0.6
215.06985	0.9
217.08504	0.9
217.15421	0.6
219.06297	4.5
219.08472	3.1
219.09895	0.9
221.09709	1.1
222.06743	0.7
223.11290	0.9
224.04681	0.7
225.09048	1.4
225.12604	0.9
227.06966	1.2
231.06459	9.6
231.08371	0.7
233.09515	0.9
235.07559	1.9
235.11156	0.7
237.09135	1.7
238.06334	1.2
239.07027	2.3
240.07764	0.7
241.05014	1.4
242.09467	0.8
243.06606	1.4
247.07509	4.1
248.08083	1.1
249.09021	2.4
251.10672	1.2
252.11267	0.7
253.08623	2.1
255.06430	1.2
256.07230	1.5
257.08206	1.0
259.07657	4.3
261.08920	0.8
263.07007	1.2
263.10672	1.9
264.07953	1.0
265.08578	4.3
265.11136	0.7
265.12436	0.6
265.15842	0.9
266.09573	1.0
267.06580	3.3
267.09653	0.7
268.07275	0.8
268.33179	0.7
268.89490	0.6
269.04486	0.8
269.08099	0.9
270.08957	1.8
271.06119	1.5
271.09540	1.2
275.06992	2.1
277.08621	6.1
278.09171	0.9
279.06625	0.7
279.10220	1.4
280.07288	1.5
280.11026	1.5
281.04370	2.1
281.08063	2.2
281.11655	1.6
282.05219	4.4
282.08554	1.2
283.05963	0.8
283.09576	0.8
284.06912	1.4
285.07587	3.1
285.10971	1.4
286.08441	0.7
287.06940	1.8
291.10104	1.8
292.10773	1.8
292.13947	0.7
293.08109	4.7
294.08759	1.0
295.09747	2.2
295.13321	4.7
296.14014	0.7
297.07626	1.0
297.11041	1.1
298.08405	1.9
299.09265	4.3
301.07019	0.7
303.08551	2.4
304.09448	3.8
305.08057	6.5
307.09662	6.1
308.06815	0.8
308.10324	2.4
309.07956	0.8
309.11215	3.0
309.14709	1.2
311.19617	0.7
312.13474	1.1
313.10754	4.5
315.08844	1.0
316.09637	0.9
317.07562	4.7
318.11081	4.3
319.12018	0.9
321.11130	1.0
322.08398	0.7
323.09094	14.2
323.12833	7.1
324.13467	1.9
325.10779	1.4
327.12335	1.1
327.15921	2.2
329.10461	1.0
331.11801	4.0
335.09137	16.5
337.10782	1.3
339.12106	1.2
340.13104	1.5
341.10196	3.8
341.13837	2.2
345.13312	4.7
353.10190	27.8
354.10574	1.8
355.11768	1.2
355.15405	17.8
356.16098	5.6
357.13373	1.3
369.17099	1.0
371.11240	10.5
371.15488	0.5
372.15805	2.3
379.15427	0.8
385.16510	1.1
387.18021	53.0
388.18314	1.9
411.18106	1.0
426.23413	1.2
427.24026	2.5
429.19040	0.8
455.24380	3.8
473.25333	27.5
474.25644	1.1
479.20502	0.8
486.59259	0.6
497.21658	1.3
498.21667	0.7
515.22931	1.3
533.24072	2.6
533.36188	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1993
Annotation	Kadsuralignan B
Peak:m/z	Relative Intensity
63.23277	0.2
66.29784	0.2
69.33678	1.4
69.73491	0.2
81.07044	0.2
83.01107	0.6
95.01086	1.0
113.02128	1.6
127.03695	0.7
137.02110	0.7
151.62350	0.2
154.66795	0.2
155.03143	5.9
155.04347	0.4
159.04219	0.4
171.02672	1.0
173.04245	0.6
177.05518	0.3
185.05739	0.3
189.05244	0.8
201.05327	0.3
204.07582	5.6
205.08281	0.5
215.60941	0.2
221.07945	0.2
258.79535	0.3
335.10919	0.6
381.85648	0.3
401.15897	1.1
422.17963	0.2
467.02087	0.3
533.19922	100.0
534.12274	0.5
534.20258	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2296
Annotation	Echitoserpidine
Peak:m/z	Relative Intensity
66.22997	0.3
67.05479	0.3
69.46445	1.9
110.27051	0.3
115.55743	0.3
153.94200	0.3
160.11977	0.3
349.73630	0.4
350.37204	0.3
479.27832	0.4
515.22235	0.8
533.22980	100.0
534.23352	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33372	0.4
60.51424	0.4
67.05510	0.8
67.51118	0.4
69.03422	0.4
73.02937	0.8
79.05491	0.7
81.07062	1.1
83.05020	0.5
85.02910	0.7
91.05497	1.2
93.07059	0.9
95.04980	0.7
95.08631	1.6
96.09064	0.4
97.02888	0.5
98.23432	1.1
105.07048	1.4
107.08592	0.9
109.10191	0.9
111.08124	0.5
119.08619	1.0
121.10181	0.6
126.04634	0.4
127.03883	0.4
133.04996	0.5
133.10106	0.6
143.08626	0.6
145.10199	0.6
147.11716	1.3
148.12086	0.6
155.08553	0.8
161.13373	0.9
167.08508	0.5
169.10283	0.8
171.11679	0.5
178.53455	0.4
181.10240	0.7
187.07629	0.7
187.11140	0.5
195.11673	0.5
203.18004	1.6
204.18353	1.7
207.11673	0.5
223.14810	0.4
274.16953	0.5
316.79422	0.4
363.15674	2.1
381.16888	0.6
414.88986	0.5
453.24115	0.7
462.27292	0.9
471.25293	1.3
473.23001	2.2
479.22119	0.8
480.28317	2.4
489.26205	0.6
497.23029	2.2
498.29419	0.7
505.25964	0.8
515.24127	6.8
516.24237	0.6
533.24585	100.0
534.24927	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2385
Annotation	Kadcoccilactone J
Peak:m/z	Relative Intensity
55.05513	8.7
60.69585	4.2
66.08513	4.2
67.05515	5.4
68.85111	4.4
69.03423	19.8
71.31849	4.6
79.05510	13.2
81.07056	25.3
83.04972	4.9
91.05502	12.6
93.07037	12.6
95.04989	5.3
95.08618	20.9
103.05435	6.6
103.28676	4.3
105.07046	17.5
107.04967	4.5
107.08603	6.4
108.58106	4.6
109.06528	15.5
119.08598	11.3
121.06519	10.0
123.08064	17.8
128.06171	4.7
129.06993	13.3
133.06525	13.5
135.08035	6.1
136.12718	4.6
137.05966	32.2
139.07578	13.0
143.08571	10.6
145.06456	28.2
145.10167	5.1
147.08084	14.8
151.07639	5.5
155.08534	7.8
157.10133	8.2
159.04378	6.1
159.07983	8.6
161.05986	7.2
167.08574	4.9
169.10033	6.0
171.08066	14.4
173.09641	9.9
175.07495	4.9
182.07298	8.3
183.08134	10.2
185.09613	12.1
187.07574	9.1
193.10022	8.7
195.08101	15.7
195.11752	5.5
197.09526	6.6
199.11299	5.8
208.08961	5.3
209.09807	9.8
211.07535	5.2
211.11281	8.7
213.09006	6.6
217.10272	6.6
221.09586	11.4
222.10408	7.5
223.11165	16.4
233.09679	7.8
235.11159	14.0
237.09192	6.6
237.12750	32.0
239.10641	7.5
246.10284	5.7
247.11214	20.2
248.12111	10.5
249.12730	11.6
251.10718	8.5
251.14482	10.7
253.12215	7.3
261.12711	11.6
263.10590	7.1
263.14407	4.9
265.12250	37.1
266.12973	14.3
267.13953	6.5
277.12250	8.3
277.16077	8.0
279.13907	13.6
283.13303	25.8
295.13315	14.5
297.14871	5.6
301.15775	14.8
305.08112	9.4
305.11838	7.2
305.15433	9.0
319.16846	7.9
323.12848	12.1
323.16425	11.5
339.12231	5.1
341.13647	11.5
346.29294	5.6
347.84747	4.6
359.14792	7.5
387.17996	7.4
399.18408	16.8
403.18634	13.9
405.20508	7.0
417.20203	10.6
421.19965	100.0
422.20428	9.7
439.21048	14.1
443.18240	6.3
451.21234	20.5
457.21777	8.5
497.21744	34.5
515.23022	11.9
533.24139	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2384
Annotation	Kadcoccilactone J
Peak:m/z	Relative Intensity
51.77063	0.3
53.03949	0.6
54.57085	0.3
55.01876	1.2
55.05505	1.2
59.05015	0.3
67.05506	1.9
69.03430	100.0
69.07070	0.8
70.03767	1.0
71.31634	0.5
79.05495	4.2
81.07068	1.8
81.07460	0.3
83.04986	1.1
85.06573	0.3
87.04480	0.6
91.05474	3.5
93.07040	3.7
95.04958	1.8
95.08605	2.2
97.02923	0.6
97.06544	1.5
103.05466	0.3
105.04524	0.3
105.07025	3.1
107.04949	3.0
107.08598	1.2
109.06506	2.3
109.10142	0.4
111.08080	7.1
113.05986	0.5
115.03941	0.5
115.05473	0.6
117.07015	1.4
119.04926	0.4
119.08594	2.5
121.06522	3.3
121.10168	0.5
123.08069	6.0
125.09674	0.3
128.06242	1.2
129.07028	1.8
131.04965	0.5
131.08568	1.7
133.06525	1.3
133.10138	1.2
135.04428	0.5
135.08072	1.2
137.05991	2.5
139.07539	88.7
140.07857	1.9
141.06987	1.8
142.07796	0.7
143.08582	3.7
144.09331	0.4
145.06503	1.3
145.10094	1.7
147.08040	4.9
148.08548	0.3
149.05933	0.5
149.09628	1.2
151.07518	0.8
151.54858	0.3
153.07008	1.0
155.08545	3.6
156.09322	1.3
157.06502	1.0
157.10173	1.5
158.07265	0.4
159.08051	3.0
161.06015	0.4
161.09607	1.7
163.07527	1.5
165.06915	1.6
165.09053	0.6
166.07718	0.6
167.07204	0.6
167.08600	1.6
168.09366	0.7
169.06477	0.7
169.10164	2.2
170.10809	0.5
171.08043	2.3
171.11700	0.9
172.08815	1.0
173.05928	0.5
173.09659	2.7
175.07576	1.4
175.11249	0.8
177.09137	1.3
178.07794	1.9
179.07062	0.5
179.08513	3.3
180.09323	1.2
181.06561	0.8
181.08618	0.5
181.10114	3.8
182.10695	0.5
183.08098	1.3
183.11676	3.5
185.09612	2.2
185.13295	0.7
187.07564	1.8
187.11188	0.9
189.09113	0.8
191.07069	0.3
191.08546	1.6
192.09361	1.7
193.08496	0.7
193.10141	7.4
194.10852	1.5
195.08023	2.0
195.11694	2.3
196.08850	1.5
197.05951	0.4
197.09604	2.6
197.13327	0.9
198.10268	0.4
199.07646	1.5
199.11125	1.6
201.09073	1.5
201.12747	0.3
201.17374	0.3
202.07788	0.7
203.06941	0.6
203.08617	1.3
203.10568	0.3
204.09337	0.8
205.08508	0.8
205.10184	1.5
205.12106	0.5
206.10944	1.0
207.08069	1.0
207.10088	0.7
207.11774	2.8
208.08772	0.4
208.12437	0.5
209.09682	3.0
209.13263	1.7
210.10397	0.6
211.07593	0.8
211.11166	6.0
212.11913	0.7
213.09073	2.1
213.12761	0.9
215.06921	0.4
215.08813	0.6
215.10727	1.0
216.09274	0.4
217.08414	1.7
217.10222	1.2
217.12010	0.4
218.09177	0.5
218.10950	2.8
219.08159	0.6
219.09923	0.6
219.11864	1.7
220.08936	0.6
220.12523	1.0
221.09679	2.7
221.13272	1.2
222.10294	0.8
223.07607	0.5
223.11255	1.9
223.14850	0.9
224.11853	0.5
225.09143	1.2
225.12712	1.4
227.10678	1.1
227.14352	0.5
228.09357	1.0
229.08388	0.4
229.10330	0.6
229.12260	0.6
230.10881	0.7
231.08058	0.7
231.11772	0.7
232.08885	0.6
232.12546	0.4
233.09593	1.3
233.13498	3.2
234.10344	0.7
234.14035	0.5
235.07567	0.4
235.11264	3.4
235.14784	1.3
236.11903	0.7
237.09117	1.1
237.12773	4.5
239.10751	2.8
239.14308	1.3
240.11139	0.4
241.08432	0.4
241.12289	0.6
243.11848	2.2
245.09587	0.9
245.13353	1.2
246.10487	1.5
246.14178	0.3
247.11314	1.6
247.14943	0.6
248.11845	0.9
249.09042	0.7
249.12917	0.8
250.09773	0.7
251.10648	0.7
251.14354	6.3
252.14857	0.5
253.12288	3.7
253.15880	3.1
254.12958	0.4
255.13811	1.8
260.11969	0.7
261.12753	11.2
262.13208	0.7
263.10715	1.6
263.14337	4.1
264.11502	0.7
265.08646	0.3
265.09552	0.4
265.12274	3.2
265.15097	0.4
267.14023	0.8
269.15411	0.7
271.13361	0.5
275.14301	1.5
277.10510	0.5
277.12650	0.5
277.15851	1.3
279.13797	18.4
280.11240	0.5
280.14304	1.3
281.11783	3.4
281.15396	5.4
283.13330	1.2
285.12781	0.9
287.14267	0.6
289.12250	4.5
289.15414	0.5
293.15439	1.3
295.13593	0.5
295.16675	1.4
297.14816	4.6
299.12848	1.2
303.13904	1.5
303.17020	0.4
305.11908	0.5
305.15295	1.0
306.12579	0.5
307.10013	0.4
307.13263	9.5
308.13629	0.5
315.16141	0.5
317.14319	0.4
317.18979	0.4
321.14853	2.0
321.18268	0.5
323.12714	0.9
323.16516	2.1
325.14349	24.1
326.14731	1.3
327.17599	0.7
331.13110	0.7
335.19836	0.4
339.15869	3.9
339.19583	0.4
341.13922	0.5
341.17609	1.7
343.15421	6.7
344.15805	0.4
345.18378	1.6
349.14240	1.6
355.16989	0.9
359.16098	0.4
363.19571	1.5
367.15363	4.6
373.18008	4.0
375.19867	0.5
377.17471	1.0
381.20615	0.5
383.16602	0.5
385.16483	5.9
391.19049	5.4
392.19406	0.5
393.20566	1.2
395.18518	0.8
401.17432	2.1
403.17508	67.7
404.17813	4.2
407.22192	1.0
409.20166	3.2
411.21948	0.8
413.19342	0.4
415.18936	0.6
417.20938	0.5
419.18506	8.6
420.18829	0.4
427.21500	1.0
433.19919	1.6
435.21722	1.5
437.19580	31.6
438.19745	2.9
443.18539	0.6
451.21158	3.3
453.22668	2.1
455.20630	16.5
456.20804	1.3
461.19595	2.2
469.22424	0.6
471.23688	0.9
473.21741	4.8
479.20612	4.6
480.21100	0.5
497.21625	4.0
515.22717	1.4
533.24060	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
62.92680	2.1
67.05489	4.5
69.03430	7.7
70.35870	5.3
70.36205	2.6
71.04985	2.4
79.05493	8.1
81.07056	32.5
91.05472	11.7
93.07027	7.7
95.04982	6.1
95.08603	13.4
97.02883	6.1
97.06528	3.4
99.04444	3.7
103.05467	3.5
105.07018	9.5
107.08584	8.2
109.02823	2.3
109.06535	24.0
115.05500	3.3
117.06999	4.1
119.08593	7.3
121.06508	6.8
121.10136	2.4
123.08060	10.5
124.21613	2.1
128.06209	3.7
129.06978	5.4
131.08553	9.3
133.02844	2.9
133.06494	6.2
133.10112	3.8
135.08008	4.5
137.05974	49.9
139.07526	6.5
141.06987	2.9
143.08554	6.7
145.06485	10.0
145.10121	6.9
147.08032	9.6
149.05959	4.7
149.09689	2.6
151.07542	5.5
153.06993	3.7
155.07292	2.4
155.08522	12.7
157.10182	4.8
159.08026	7.4
160.20151	2.2
161.05991	4.5
161.09653	3.1
163.07501	4.9
165.06914	5.1
165.09045	3.0
166.07768	3.3
167.07057	4.3
167.08485	5.4
169.10139	6.1
171.08080	7.2
173.09648	14.1
175.07555	3.2
175.11205	3.0
178.07787	4.4
179.08510	5.3
180.09363	5.3
181.06476	3.3
181.10085	5.2
183.08057	8.6
185.05983	2.2
185.09669	5.6
187.07550	6.3
189.09033	4.2
191.08488	2.9
192.09407	4.4
193.08531	2.4
193.10123	7.7
195.06535	3.9
195.08102	5.6
195.11729	4.0
196.08765	2.5
197.09541	3.5
199.07617	3.2
199.11121	3.2
201.09052	6.6
205.10074	5.7
207.08086	2.9
207.11646	5.9
209.09650	6.3
209.13206	2.7
210.10294	4.1
211.11198	9.1
213.09181	4.4
215.10597	3.3
217.10088	6.7
218.10913	3.9
219.07953	3.1
219.11713	5.6
220.08868	3.0
220.29576	2.3
221.09561	7.4
221.13174	3.4
223.11182	7.4
225.09044	2.6
225.12720	4.7
229.10023	2.8
232.08728	2.4
233.09555	4.2
233.13338	3.4
235.11247	13.6
237.09094	2.6
237.12642	5.9
239.10634	4.2
239.14290	3.6
245.09677	6.5
245.13225	3.0
246.10382	2.4
247.11215	5.6
249.09286	2.8
249.12694	6.2
249.40947	2.3
251.10658	4.6
251.14301	5.7
253.12254	8.7
253.69063	2.2
261.12708	7.3
263.08026	2.3
263.10757	8.6
263.14267	2.6
265.12360	3.6
265.15762	4.2
267.13821	2.5
275.14304	7.1
277.12314	4.6
279.10428	2.3
279.13736	5.0
281.11642	9.8
281.15152	2.4
285.12671	3.6
293.15323	7.3
295.13419	4.3
299.13184	2.7
303.13657	6.7
311.16397	3.0
321.14868	6.4
339.16037	7.9
363.15738	4.3
390.10074	2.6
391.19138	7.2
393.16800	5.8
399.18878	2.7
401.17529	12.0
407.18289	4.4
409.19852	5.8
417.20419	3.5
419.18491	28.9
433.19922	3.0
435.21909	4.9
437.19586	100.0
438.19977	7.3
443.18573	4.1
451.21011	3.9
453.19165	8.2
455.20697	40.7
456.21124	4.5
461.19583	7.9
473.21530	3.8
479.20700	19.9
497.21854	10.9
515.22205	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.05503	1.8
58.23384	1.4
58.49536	1.2
58.53240	1.1
67.05497	1.7
69.03428	6.2
69.98112	2.4
69.98490	1.8
79.05494	15.7
81.07059	73.1
82.07395	2.4
91.05484	4.1
93.07038	3.0
95.04961	1.5
95.08594	5.0
105.06990	2.9
107.08607	2.2
109.06522	29.5
111.04482	2.2
113.02419	1.9
115.05489	1.8
117.07040	1.7
117.09191	1.1
119.08595	3.0
121.06480	3.0
123.08058	5.5
125.09583	1.4
128.06255	2.4
129.06999	3.2
131.04930	2.0
131.08560	3.2
133.06468	3.0
133.10234	1.3
133.60455	1.3
135.08060	2.8
137.05977	100.0
138.06378	2.2
138.77916	1.5
141.06982	1.6
142.07747	2.2
143.08566	2.9
145.06461	3.1
145.10168	2.0
147.08037	4.4
151.07576	3.8
153.06996	2.4
155.08557	6.6
157.06471	2.1
159.08061	2.6
161.09576	1.8
163.07634	2.3
165.07027	1.8
165.09096	1.8
166.07770	2.2
167.08612	1.8
169.06418	1.5
169.10048	1.6
171.08000	3.4
173.09602	1.6
175.07594	2.9
179.08560	3.1
181.10101	2.3
183.08125	3.1
185.09613	2.2
189.09219	1.8
191.06992	2.1
192.07600	1.3
192.09282	1.9
193.10126	2.4
195.08043	3.0
197.09575	3.2
201.08994	1.3
204.09309	1.6
207.08005	1.5
207.11670	2.1
209.09592	3.5
211.07591	1.6
211.11177	2.9
213.09241	2.0
217.10147	2.2
219.11784	2.5
221.09587	3.7
221.13313	1.6
223.07475	1.4
223.11208	2.3
225.09212	2.0
229.12115	1.6
235.11188	4.2
235.14742	2.1
236.11752	3.7
237.09090	2.0
237.12686	4.5
239.10696	2.1
245.09517	1.4
246.10506	2.0
247.11159	2.5
249.09108	2.8
249.12617	1.7
251.10666	1.8
253.12398	2.7
254.12819	1.6
255.13719	1.9
263.10721	3.1
263.14252	1.9
264.11420	4.4
265.12137	4.4
267.10034	2.0
273.12598	1.9
281.11679	6.4
281.14899	1.4
282.12445	3.3
283.13196	2.7
289.15720	1.9
291.13837	2.8
305.11813	1.5
307.13123	2.1
307.50192	1.4
309.14743	3.9
323.12747	1.4
333.14767	1.5
340.16080	5.1
355.16888	1.6
369.17081	2.4
373.17841	4.5
375.15802	1.7
383.16553	1.9
387.18130	2.4
391.18979	3.8
393.16827	3.0
400.18365	3.0
401.17227	6.6
411.17987	3.6
419.18524	37.2
420.18958	5.7
435.21527	3.9
437.19589	29.3
438.19836	12.3
443.18741	3.7
455.20694	9.5
456.21106	2.6
461.19583	8.3
473.21649	14.3
479.20721	7.5
480.20773	3.4
497.21432	7.4
498.21997	4.2
515.23688	4.0
533.25085	28.0
534.25122	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61365	0.3
60.83636	0.3
67.05483	0.3
69.03453	0.4
79.05492	0.6
81.07048	1.3
83.04982	0.8
85.02905	0.6
91.05490	1.0
93.07026	0.4
95.04944	0.5
95.08595	0.7
96.08974	0.3
97.02902	0.3
98.23374	1.2
105.07034	0.9
107.08630	0.5
107.71346	0.3
109.06505	0.8
109.10153	0.5
119.08606	0.4
119.63133	0.3
121.06499	0.7
121.10121	0.5
123.08009	0.4
133.10101	0.3
137.06012	1.1
143.08586	0.4
145.10106	0.5
147.08073	0.4
147.11755	0.4
149.02116	1.1
149.05962	0.4
153.05510	0.3
157.10168	0.5
159.11728	0.3
167.49034	0.3
171.11818	0.3
175.07579	0.5
181.06195	0.3
185.09616	0.4
197.09448	0.3
203.17862	0.3
204.18304	0.4
221.13402	0.5
225.12761	0.3
256.14331	0.3
283.13150	0.6
349.17850	0.4
355.22867	0.5
363.15991	0.5
381.16757	2.4
382.17358	0.3
411.21835	0.4
413.21066	0.4
421.23618	0.4
423.21680	0.4
437.88629	0.3
439.25024	0.6
453.23749	1.6
454.26437	0.5
457.22070	0.5
469.22214	1.6
471.24957	1.7
480.24722	0.5
487.24530	0.4
489.26120	0.3
497.22940	2.6
499.23257	1.2
515.23773	8.3
516.24481	0.7
533.25092	100.0
534.25458	10.7
534.33582	0.6
534.56653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16772	0.4
52.77600	0.3
62.55751	0.4
69.10108	3.0
83.04987	1.2
95.15662	0.3
103.05456	1.0
104.05806	0.5
131.04945	2.1
132.05273	1.1
172.05148	0.4
182.07336	0.4
185.44502	0.4
337.17877	0.9
341.13586	0.7
343.11514	0.4
351.15710	0.8
357.13043	0.6
367.18814	5.6
372.15289	0.4
374.13513	0.4
415.17633	0.8
416.17899	2.0
443.25723	0.8
445.27185	1.2
461.26569	2.2
471.24942	3.8
487.24438	1.1
489.26108	21.4
490.26312	2.5
505.25763	1.1
515.24005	3.9
516.24481	0.5
533.25073	100.0
534.25446	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36982	0.3
55.20562	0.3
67.05511	0.5
69.05754	1.1
69.06173	1.6
79.05510	0.3
81.07034	0.4
85.02922	0.3
93.07050	0.3
95.08632	0.6
107.08616	0.4
107.71044	0.3
109.10191	0.3
126.64187	0.3
133.02623	0.7
133.10120	0.3
137.79547	0.3
145.10077	0.3
157.10164	0.4
171.11847	0.3
177.72983	0.3
232.12659	0.4
253.12183	0.3
283.13055	7.3
349.17804	0.5
363.15765	0.4
377.17465	0.3
381.16681	3.8
382.16827	0.4
413.20898	0.5
439.43314	0.3
453.24026	1.5
471.25244	1.6
483.26077	0.3
487.24551	0.4
489.26224	0.6
497.22601	1.7
515.24066	5.7
533.25092	100.0
534.25409	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2507
Annotation	Bistratamide F
Peak:m/z	Relative Intensity
54.15054	0.2
55.05511	0.5
55.79214	0.2
63.32389	0.2
63.79652	0.3
67.05503	0.3
79.05467	0.3
80.46429	0.2
81.07055	0.3
83.04985	1.7
91.05477	0.4
93.07063	0.4
95.08623	0.9
103.69941	0.2
105.07027	0.5
107.08608	0.5
119.08569	0.5
121.10162	0.4
131.08525	0.3
133.02631	0.5
133.10129	0.4
145.10144	0.4
147.11720	0.4
158.10521	0.2
159.11737	0.4
161.05862	0.3
185.09641	0.3
187.11266	0.3
337.17776	0.9
351.15649	0.6
351.19510	0.3
367.18756	5.9
367.23007	0.3
408.26016	0.3
427.26025	0.3
437.06735	0.2
443.25696	0.7
444.26154	0.3
445.27228	1.8
461.26566	2.3
471.25095	4.2
472.25946	0.2
487.24704	1.1
488.84967	0.3
489.26111	18.7
490.26236	1.6
505.25662	1.6
515.24127	3.2
516.24609	0.3
533.25079	100.0
534.25433	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.5
60.15204	0.4
66.46833	0.4
67.05515	1.5
69.03449	1.0
69.07066	0.5
72.10227	0.4
73.02920	0.9
73.60275	0.4
79.05485	0.7
81.07051	1.5
83.04985	0.6
85.02900	0.8
86.09722	0.6
91.05495	1.0
93.07040	1.0
95.08628	2.5
97.02880	0.7
104.10753	1.6
105.07041	2.1
106.07355	0.6
107.08613	1.6
109.06514	0.5
109.10160	0.9
111.04411	0.6
113.32954	0.4
117.07072	0.5
119.08599	1.8
120.08943	0.6
121.06523	0.5
121.10136	1.1
123.08124	0.5
131.08609	1.0
133.10120	1.4
134.10422	0.6
134.77448	0.5
135.08112	0.8
135.11641	0.5
143.08615	0.6
145.10146	0.6
147.11696	1.7
148.12065	1.5
157.10141	0.5
159.08101	0.5
159.11766	0.8
169.10147	0.6
173.09715	0.4
174.13654	0.5
178.75444	0.4
183.11725	0.4
184.07416	1.3
187.11198	0.6
191.59050	0.5
193.10316	0.5
197.13336	0.6
203.17978	1.2
204.18265	2.2
207.11671	0.6
208.12239	0.5
229.25092	0.7
283.12930	0.6
344.19205	0.5
369.34375	0.5
381.16528	2.5
413.21091	0.8
423.25613	0.6
438.27087	1.1
453.24167	2.9
471.25235	2.0
479.27420	0.7
480.28177	1.2
489.26212	1.2
497.22736	2.9
515.24048	7.3
533.25079	100.0
534.18042	0.9
534.25446	11.4
534.32813	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.3
51.02365	0.7
53.03947	1.2
67.05508	0.1
69.08772	0.6
75.63122	0.1
77.03905	0.7
81.03410	0.1
81.07066	0.2
82.07360	0.1
91.05489	0.2
95.04964	2.0
102.04644	0.7
103.05466	56.2
104.05795	1.6
105.04514	1.0
105.07082	0.1
107.08566	0.1
109.10165	0.1
121.06528	0.1
131.04922	100.0
132.05252	2.8
144.08069	0.2
159.81393	0.1
177.05356	0.1
184.42189	0.1
211.19049	0.1
485.98947	0.1
515.30981	0.1
533.32220	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64046	0.4
51.61908	0.4
52.28025	0.4
55.01867	0.5
57.03435	0.6
59.05010	0.4
67.05530	0.4
69.03419	0.5
69.07076	0.5
69.16877	3.6
79.05498	0.6
81.07043	0.6
83.04990	1.0
85.02901	0.5
90.86694	0.3
91.05486	0.9
93.07053	0.9
95.05018	0.6
95.08612	1.4
98.23409	0.8
105.07037	0.9
106.07472	0.4
107.08594	0.4
107.25288	0.4
117.07024	0.6
123.08051	0.4
133.07933	0.4
145.10168	0.4
151.03993	0.5
173.09583	0.8
182.59219	0.4
209.13245	0.6
237.08211	0.4
261.03815	0.4
275.07404	0.6
313.16238	1.9
317.08298	0.6
326.04996	0.4
333.07669	0.5
335.09494	3.4
370.35403	0.4
394.29343	0.4
401.21503	0.5
417.66064	0.4
419.24808	1.2
437.25934	0.9
441.06351	0.5
445.20447	20.8
446.20612	1.4
461.26022	0.9
479.26865	0.6
515.24188	0.8
533.25610	100.0
534.25867	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
67.05495	0.6
69.03438	0.6
69.07066	0.3
69.17214	1.8
69.17619	0.8
69.59882	0.3
81.07046	1.0
81.10118	0.3
83.04984	0.5
84.49976	0.3
91.05466	0.7
93.07034	0.6
95.04971	0.4
95.08610	0.6
105.07053	0.9
107.08600	0.8
109.06576	0.6
109.10138	0.4
119.08604	0.9
121.10126	0.4
155.08574	0.5
171.11649	0.4
190.09534	0.3
191.10762	0.4
195.11592	0.4
205.10172	0.4
212.90237	0.3
228.11490	0.4
244.12383	0.4
313.16220	1.8
317.08447	1.1
333.07785	0.6
335.09503	3.1
349.58978	0.3
401.21375	0.8
419.25623	0.3
437.26727	0.5
445.20471	23.4
446.20703	1.5
479.28201	0.4
533.25665	100.0
534.26093	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.8
55.05507	4.4
57.03419	1.5
67.05504	5.7
69.03429	64.6
69.04279	14.2
69.07066	2.5
71.04994	5.9
79.05495	8.8
81.03413	1.6
81.07059	13.6
83.04974	3.4
83.08591	2.2
91.05469	11.4
93.07031	12.9
95.04967	11.9
95.08604	7.6
97.02904	2.9
97.06533	6.5
99.04463	13.0
104.84296	1.7
105.07023	14.9
107.04936	7.2
107.08613	10.4
109.06518	32.2
109.10155	1.8
111.04439	1.5
111.08064	6.9
115.05440	3.0
117.07012	7.2
118.46682	1.4
119.08590	15.3
121.06505	10.9
121.10145	7.2
123.08070	22.2
125.05992	10.9
127.03928	3.7
128.06232	2.6
129.07001	8.6
131.08560	12.4
133.06517	3.9
133.10133	8.8
135.08070	5.9
135.11713	2.3
137.05963	11.7
137.09657	2.9
139.07541	56.1
140.07817	1.5
141.06969	6.7
142.07779	4.7
143.08551	19.0
145.06473	9.7
145.10126	13.4
147.08067	18.3
147.11658	9.2
149.05978	2.3
149.09616	3.9
153.05484	4.3
153.06908	3.2
155.07240	2.5
155.08534	12.5
156.09314	5.5
157.06491	3.0
157.10133	14.3
159.08073	16.3
159.11659	13.5
161.05910	1.8
161.09615	10.2
161.13275	2.9
163.11211	2.6
165.07083	3.1
167.07051	7.1
167.08591	9.0
168.09331	3.9
169.10088	17.0
170.10803	1.7
171.08069	4.0
171.11688	24.2
172.12068	1.6
173.09581	10.1
173.13249	7.5
175.07686	1.4
175.11168	7.9
177.09126	3.1
178.07803	3.7
179.08553	5.7
180.09314	4.5
181.10103	13.3
182.10931	4.3
183.08124	2.7
183.11685	13.4
184.12405	1.7
185.09644	5.9
185.13280	11.2
187.07562	2.9
187.11198	4.1
187.14818	6.5
189.09244	2.5
189.12732	1.5
191.08606	2.6
191.10599	1.5
192.09363	3.2
193.10156	12.6
194.07289	2.0
194.10876	4.5
195.08023	4.3
195.11700	14.1
196.12331	2.3
197.09566	6.5
197.13266	8.0
198.13759	1.4
199.11226	5.2
199.14806	4.1
201.09073	2.1
201.12730	1.7
203.08687	2.6
203.10641	2.0
205.10158	5.0
205.11925	1.4
206.10873	3.2
207.10132	1.4
207.11772	10.7
208.12445	4.9
209.09663	4.3
209.13246	15.0
210.14038	3.4
211.11198	7.6
211.14871	4.7
213.09138	3.5
213.12856	1.9
215.10683	2.0
217.10184	3.3
218.10889	4.4
219.11806	7.2
220.12512	4.1
221.09651	3.2
221.13231	11.0
222.10233	2.1
222.14032	1.6
223.11191	5.0
223.14812	12.4
225.08994	1.8
225.12718	4.6
225.16449	3.6
227.10721	2.3
227.14314	1.7
229.12331	2.1
230.10843	2.1
231.11707	3.5
232.12506	2.8
233.09689	1.6
233.13406	9.1
234.10423	1.8
234.13950	3.1
235.11180	5.3
235.14789	9.3
236.12010	2.7
237.12782	7.3
237.16280	9.4
238.13499	1.9
238.17125	2.4
239.10846	1.6
239.14406	3.2
239.17885	2.5
243.11745	2.9
245.13332	3.7
246.10463	2.4
246.14066	2.0
247.11148	3.2
247.14911	5.2
249.12790	3.9
249.16371	4.6
250.17294	1.7
251.10684	3.1
251.14334	19.6
251.17940	2.8
252.15033	5.6
253.12277	4.1
253.15846	11.1
253.18446	1.3
253.19337	1.4
255.13803	2.7
261.12842	9.5
261.16455	3.4
263.10651	1.8
263.14441	7.6
263.17926	7.0
265.12299	3.2
265.15869	4.7
265.19519	4.4
266.16730	1.5
267.17453	2.0
269.15411	2.3
269.19080	1.6
273.16562	2.2
275.14465	2.9
275.17987	6.3
276.14706	1.3
277.12918	1.4
277.15887	5.2
279.14001	13.4
279.17450	10.6
280.18271	8.3
281.11920	2.1
281.15466	5.2
281.18918	36.6
281.21875	2.5
282.19421	1.6
289.12122	3.2
291.14075	1.9
291.17441	3.8
292.18063	1.8
293.15881	2.0
293.18964	11.2
295.17050	4.9
297.14832	4.9
297.18341	3.2
303.14050	1.6
305.15308	2.4
305.18613	1.6
307.13263	7.1
307.20636	1.3
309.15100	2.4
309.18503	10.9
309.21899	2.7
311.20026	64.8
312.20447	5.4
317.19037	1.6
321.14737	1.6
323.16415	2.1
323.20081	1.7
325.14334	14.4
327.19623	2.2
335.20218	4.8
339.15854	3.0
339.19769	1.7
341.21118	11.4
343.15463	4.8
345.18481	2.0
349.17862	1.9
351.19522	1.7
353.21109	21.1
363.19614	1.8
371.22208	60.2
372.22354	3.8
373.17841	2.2
381.20917	2.5
385.16550	4.6
389.21155	6.1
391.18903	1.8
399.21967	1.9
401.17133	2.2
403.17471	39.9
404.17966	3.2
407.22186	100.0
408.22623	10.4
419.18118	4.6
419.22223	7.9
421.24023	2.7
423.25494	2.4
425.23221	97.3
426.23703	7.6
435.25345	1.7
437.19434	16.8
437.23712	11.1
449.23608	2.6
451.21225	3.4
455.20520	7.9
455.25342	3.1
461.23068	6.0
467.24286	17.2
468.24564	2.4
473.21783	5.0
479.25009	11.3
485.25342	10.4
497.25775	20.2
533.25208	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87635	1.3
53.03949	1.5
55.01870	1.6
55.05506	3.9
57.03437	1.9
65.03915	1.7
65.10270	1.3
67.05506	2.6
69.03434	5.5
69.07062	1.7
71.04982	4.9
79.05495	6.0
81.03438	1.6
81.07056	10.1
83.04980	3.1
85.02907	2.1
90.30198	1.4
91.05473	8.7
93.07047	7.3
95.04970	8.6
95.08620	4.0
97.02893	4.5
97.06503	4.0
98.22600	6.3
99.04436	12.2
105.07041	8.9
107.04966	2.4
107.08579	6.7
109.06516	21.2
109.10175	1.4
111.04423	1.8
111.08113	1.4
117.07006	5.2
119.08579	6.0
121.06516	8.7
121.10116	4.1
123.04401	1.4
123.08054	15.2
125.05967	3.4
127.03934	1.9
128.06203	3.2
128.31789	1.4
129.07002	5.4
131.08586	10.9
133.06474	5.3
133.10135	6.1
135.08069	5.4
135.11691	1.9
137.05971	11.1
137.09615	2.0
139.07553	1.5
141.06999	3.5
142.07719	2.0
143.08540	15.0
145.06525	3.6
145.10124	9.0
147.08040	9.0
147.11690	3.8
149.09563	2.3
150.06726	4.2
151.07574	1.7
153.05469	1.5
153.06984	1.6
155.08566	5.4
156.09381	2.0
157.10109	8.8
159.08054	10.5
159.11710	6.3
161.09578	7.8
163.11253	2.0
165.06992	2.1
165.09129	10.2
167.07039	4.1
167.08549	6.0
169.10092	10.9
171.08060	2.6
171.11685	13.1
173.09563	7.1
173.13278	2.3
175.07645	2.2
175.11177	4.7
178.07709	1.8
179.08571	4.5
180.09373	2.2
181.10104	10.0
182.10847	2.4
183.11731	7.7
185.09641	4.3
185.13268	6.0
187.11111	2.7
192.09331	2.9
193.10101	7.0
194.10951	3.0
195.11691	8.2
197.09647	1.7
197.13208	4.8
199.11104	1.9
199.14946	1.6
201.12677	2.4
203.08650	1.7
205.10178	4.3
206.10966	2.7
207.11729	9.7
208.12500	3.2
209.09688	1.7
209.13280	11.5
210.14084	2.8
211.11159	3.6
211.14767	2.7
213.12764	2.4
217.10146	2.6
217.12181	1.6
218.10976	2.2
219.11673	3.9
220.12367	2.3
221.13315	4.5
223.11133	3.3
223.13049	3.1
223.14838	4.3
225.12822	2.5
225.16394	2.4
227.14302	2.2
230.10808	1.9
231.11844	2.2
232.12595	2.5
233.09528	1.7
233.13214	9.0
234.14145	1.7
235.14763	8.3
236.11966	2.3
236.15594	1.9
237.12769	3.9
237.16429	6.5
239.14110	1.7
245.13335	3.1
247.14902	3.8
249.12804	3.1
249.16353	4.1
251.14307	35.5
251.18011	3.3
252.14935	5.3
253.15816	5.2
261.12698	1.7
261.16324	4.1
263.14334	7.2
263.17822	2.7
265.15860	2.8
267.13638	2.0
267.17325	2.8
269.15326	2.8
275.14249	1.9
275.17944	3.0
277.15793	3.0
279.13962	2.4
279.17441	6.3
280.18192	3.0
281.15601	2.8
281.18985	11.2
282.19348	1.6
289.71631	1.6
291.17471	3.4
293.15503	3.0
293.19022	4.1
295.17020	1.6
307.17114	1.8
309.18515	7.5
311.16580	2.4
311.19992	15.1
315.17407	2.0
323.16492	3.7
323.19958	2.0
333.01382	1.8
335.19861	2.4
341.20908	3.3
343.20615	1.8
353.21121	10.6
363.19711	1.7
371.22452	11.5
381.20370	2.3
389.21219	6.7
407.22168	100.0
408.22659	7.4
419.22269	9.7
421.23563	4.4
425.23218	70.0
426.23721	6.7
433.23755	1.9
437.23407	12.2
443.22202	2.3
443.27759	4.0
449.23209	3.2
455.24222	3.2
461.22983	2.4
467.24857	6.8
479.24020	5.7
485.25388	3.6
497.25919	7.6
533.23792	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31675	2.6
53.40304	2.9
55.01872	4.2
55.05498	8.1
56.68888	3.1
58.26608	3.0
64.06198	3.0
67.05499	11.2
69.03445	15.0
69.07053	7.0
71.04971	3.7
75.98277	3.0
79.05495	17.3
81.07059	74.4
82.07388	6.5
83.05007	5.0
84.58414	2.7
91.05481	27.0
93.07046	23.5
95.04967	7.7
95.08624	20.0
96.08942	3.6
97.02926	8.1
97.06539	9.2
99.04490	13.9
105.07037	31.5
107.08600	18.1
109.06530	32.9
109.10157	8.8
111.04462	5.2
111.08078	6.1
111.49853	3.0
117.07020	10.6
119.04928	3.3
119.08605	23.0
121.06497	5.7
121.10123	10.1
123.04508	3.4
123.08092	16.2
124.08436	5.4
125.09673	3.0
128.06221	3.3
129.06998	13.2
131.04942	3.9
131.08588	20.3
133.06462	5.6
133.10144	26.9
133.87595	3.3
135.08063	7.3
135.11685	3.1
137.05974	100.0
137.09579	3.6
138.06331	13.0
139.07539	7.2
140.08900	3.2
141.06970	5.8
142.07765	9.8
143.08543	25.9
145.06496	5.4
145.10120	20.5
147.08049	19.0
147.11711	10.2
149.06068	3.0
149.09645	4.8
151.07573	8.1
155.08577	11.1
156.09309	6.4
157.10144	31.2
159.08081	9.5
159.11694	11.4
161.06062	2.9
161.09633	23.0
161.13228	4.9
163.07530	3.6
163.11200	5.7
165.06927	4.9
169.10161	16.4
171.08002	10.6
171.11674	13.5
172.08438	5.9
173.09674	18.6
174.10069	6.6
175.07446	4.3
175.11200	19.9
177.09113	5.5
177.12753	5.2
181.08652	4.6
181.10146	9.1
183.08076	6.1
183.11673	14.7
185.09583	7.2
185.13231	6.0
187.11249	11.3
187.14798	4.2
189.09151	4.2
189.12741	10.1
191.10689	3.5
192.09297	3.8
193.10121	8.4
195.07961	3.8
195.11717	11.6
196.12180	4.9
197.09499	4.6
197.13280	7.1
198.09935	3.9
199.11209	3.0
202.09428	2.9
203.10667	3.8
206.10826	5.4
207.10190	21.6
207.11890	4.3
208.12253	4.1
209.13274	5.7
211.11096	6.6
213.12811	4.4
215.10733	3.9
219.11842	3.7
221.09729	5.1
221.11597	23.8
223.11064	3.9
224.11554	3.9
225.13029	4.2
233.11644	5.8
234.10274	4.8
235.11154	5.0
236.11726	6.7
237.12590	8.2
237.16182	3.8
238.13100	3.9
241.15730	4.0
247.11116	4.3
248.11673	4.2
249.12816	3.3
250.13197	3.0
252.14751	4.2
264.11154	3.7
265.11951	4.1
265.16092	5.9
266.16296	5.6
267.17517	4.5
276.14740	7.3
280.14294	3.9
282.12305	4.5
283.13522	4.4
294.15933	4.9
307.12830	3.5
311.16580	4.1
312.16742	10.0
322.15134	4.4
335.09537	6.6
336.16641	4.8
340.16174	5.7
341.21194	4.7
353.17542	3.6
354.18018	4.6
372.18787	4.8
382.17151	4.6
400.18427	4.0
409.19806	4.6
410.20068	3.1
411.25302	44.3
418.19327	10.9
420.18866	38.9
421.24210	5.8
423.25250	9.0
425.26871	5.9
437.19421	5.5
438.19974	37.7
439.24905	95.0
440.25208	9.3
441.26410	6.7
444.18668	5.2
451.24921	21.1
453.26575	5.5
456.20737	13.7
457.25406	7.2
462.19818	9.6
469.25919	34.2
470.26572	4.7
471.27338	5.7
479.27719	3.9
480.20944	12.3
480.27328	3.1
487.26596	3.9
497.25201	16.8
498.21921	6.4
533.23871	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27399	2.3
53.03942	4.7
55.05512	3.8
60.23310	2.3
67.05486	7.3
69.03426	18.7
69.07078	3.2
71.04976	3.0
71.31374	4.0
79.05489	11.2
81.07057	20.3
83.04987	3.2
85.02887	2.8
91.05476	9.8
93.07035	17.0
95.04967	3.9
95.08619	13.7
97.02885	5.3
97.06551	3.0
99.04430	7.3
105.07020	16.2
107.04910	2.4
107.08581	9.9
109.06543	17.4
109.10158	7.9
111.08064	6.2
115.05427	2.9
117.07016	8.4
119.04871	2.7
119.08575	15.9
121.06522	7.2
121.10129	6.0
121.60182	2.6
123.08060	9.3
128.06206	3.4
129.07021	4.7
130.07777	2.6
131.08559	11.3
133.10115	9.6
135.08046	6.8
135.11635	3.9
137.05974	18.3
137.09581	5.8
139.07550	12.0
141.07001	6.7
142.07791	5.5
142.22467	2.4
143.08577	19.7
145.06522	3.7
145.10120	13.4
147.08047	7.0
147.11664	8.2
148.29028	2.3
149.09592	3.5
151.04010	2.8
151.07558	2.5
154.07790	3.0
155.08521	12.6
156.09389	4.8
157.10066	15.2
159.08049	3.5
159.11681	11.9
161.09634	3.8
161.13272	3.1
165.06908	2.6
167.08543	4.4
169.06380	2.5
169.10112	13.9
171.11676	21.2
173.09631	8.8
173.13332	7.7
175.07573	3.3
175.11252	4.2
179.08586	2.9
180.09424	3.0
181.10162	9.3
182.10861	2.7
183.11682	9.1
185.09589	5.8
185.13263	6.0
187.07352	3.8
193.10161	9.6
195.11662	12.2
197.09587	3.0
197.13188	5.8
198.13538	2.5
199.11163	5.2
199.14792	4.0
201.12744	4.1
205.10132	4.3
207.11726	6.2
209.13171	9.3
211.11290	4.9
211.14680	6.2
213.12822	3.4
217.10208	3.1
219.11676	6.1
221.13333	7.2
221.18985	4.8
223.14827	6.0
224.15588	3.3
231.11804	3.9
233.13319	5.0
235.14940	4.9
237.16399	8.1
239.14226	3.8
247.14856	8.7
249.16402	3.0
251.14348	6.1
251.17986	3.2
259.14621	3.0
261.12796	2.8
263.14380	2.6
265.15790	6.1
267.17691	4.9
267.20972	6.2
277.15848	3.1
277.19431	6.8
279.13904	2.8
285.18237	2.7
295.20538	19.9
296.21063	4.1
307.20749	3.5
317.08887	3.0
325.14343	3.0
335.09454	13.8
353.21097	5.6
371.18146	3.9
371.22229	37.9
372.22299	5.4
397.18362	2.6
403.17615	7.6
403.22623	3.7
421.23920	27.8
422.24332	6.9
437.19131	5.0
438.19620	3.4
439.24908	57.1
440.25098	9.2
451.24597	3.7
455.24640	13.2
473.25302	100.0
474.25244	6.3
497.25391	16.1
498.25241	4.9
533.23785	48.1
533.30859	2.9
534.23389	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3109
Annotation	Ganoderic acid G
Peak:m/z	Relative Intensity
51.02150	4.2
53.03946	13.3
55.05509	7.9
55.89262	3.9
61.96099	3.8
67.05501	19.2
68.41973	3.8
69.03424	5.9
69.07053	9.8
69.72631	19.5
79.05492	17.1
81.03416	14.3
81.07062	37.0
82.07391	4.9
83.04972	12.7
85.02892	5.6
85.06554	5.5
91.05475	30.2
93.07053	31.6
95.04977	9.3
95.08636	20.1
97.02884	3.9
97.06477	6.5
99.04427	7.0
105.07041	23.4
106.52201	4.4
107.08587	30.9
109.02881	18.1
109.06535	21.7
109.10156	9.6
110.10524	4.6
111.04469	4.5
111.08084	5.0
117.07025	15.9
119.08591	41.4
121.06517	5.4
121.10121	10.3
125.05947	4.8
127.03929	4.6
127.07599	6.2
128.06227	9.9
129.07039	13.9
131.04857	5.0
131.08577	27.2
133.10127	44.2
135.08060	9.9
135.11700	7.0
137.05980	17.6
138.06355	5.1
141.07024	7.8
142.07779	12.3
143.08559	28.4
145.06450	9.4
145.10110	42.1
145.10896	3.7
147.08040	7.5
147.11699	16.4
149.09589	6.9
153.07007	6.8
155.08549	22.2
156.09344	11.6
157.06564	5.5
157.10132	33.9
157.11224	4.5
159.08057	17.1
159.11682	16.1
161.09622	18.2
163.07625	5.2
163.11137	4.8
167.08572	9.6
169.10107	23.7
171.08131	5.2
171.11728	23.9
173.09669	13.0
173.13277	11.2
175.11195	7.0
177.09113	4.4
179.08429	6.4
179.10739	6.1
181.10147	17.7
182.10915	8.7
183.08138	6.0
183.11696	25.8
184.99246	4.2
185.09616	15.3
185.13271	16.9
187.11179	31.1
189.09100	4.4
191.10762	5.1
193.10161	13.7
194.10825	5.7
195.08031	5.2
195.11728	15.5
197.13304	21.4
199.11177	15.4
201.12740	6.4
203.10825	7.9
205.10100	15.3
206.10886	9.1
207.11702	16.7
208.12375	8.5
209.09676	7.5
209.13298	25.4
211.11221	8.2
211.14783	11.7
215.10570	4.6
217.12180	7.2
219.11678	11.1
220.12378	6.7
221.13272	20.3
223.11348	5.1
223.14883	8.0
225.12813	9.9
227.10603	7.3
227.14397	11.6
231.11789	7.6
231.13895	4.9
233.13229	11.8
235.14841	14.9
237.12759	11.6
237.16409	8.8
239.14340	4.8
243.13754	23.0
245.13210	5.8
245.15508	7.6
246.13850	4.8
247.11234	5.6
247.14816	11.0
248.15617	6.1
251.14336	8.1
253.15926	9.2
255.13727	5.8
261.16519	8.0
263.14301	7.4
265.12314	4.9
265.15970	5.7
267.13876	5.2
269.15323	7.9
271.17078	8.4
275.17853	6.6
277.15720	6.8
277.19351	4.3
279.13580	6.9
279.17627	6.0
281.15408	8.2
283.16989	6.2
287.16397	5.4
289.11533	4.2
289.15805	7.6
291.13712	5.5
292.33948	5.1
293.15393	4.6
295.16858	19.0
297.18488	12.6
307.16898	10.9
313.18851	5.0
321.18527	6.7
325.17886	40.8
335.20071	5.6
343.19043	65.4
361.20068	8.6
377.17438	5.7
401.25092	5.1
407.23514	5.6
415.25961	9.2
419.21399	5.6
419.26218	7.7
421.19632	5.4
425.24561	9.9
433.27136	5.6
443.25958	14.9
461.22110	5.0
461.27005	56.2
462.26974	11.8
479.28027	100.0
480.28217	14.7
497.28781	15.1
515.24054	15.9
533.24573	73.0
533.30829	9.8
534.25769	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91986	0.5
53.03944	0.6
55.01842	0.5
55.05511	2.3
57.07067	1.3
67.05504	4.5
69.07066	3.7
70.49125	1.4
77.03892	0.5
79.05487	3.9
81.07057	10.5
83.08621	1.1
91.05478	6.2
93.07040	7.6
95.04990	0.7
95.08600	8.1
97.10184	0.5
105.07027	30.6
106.07842	0.6
107.04937	0.7
107.08591	8.9
109.10152	7.0
117.07009	1.0
119.08580	21.7
121.10133	5.8
122.10916	1.8
123.11699	3.4
131.08551	1.0
133.06494	3.9
133.10127	14.5
135.04411	19.7
135.11687	2.8
137.05952	1.0
139.03897	0.8
145.10161	1.2
147.11691	13.8
148.12486	5.7
149.05966	0.8
149.13278	6.9
151.60234	0.5
153.05484	1.0
159.11679	1.1
159.53667	0.5
160.12500	0.6
161.13254	49.0
162.13585	2.2
163.14784	1.3
165.05545	1.0
167.06963	0.5
175.11197	5.2
175.14832	3.9
187.52617	0.5
189.09061	1.2
189.16376	28.4
190.16751	1.5
191.06949	2.2
191.17822	0.6
193.08519	1.0
203.10732	0.7
203.15984	0.6
203.17952	30.9
204.18730	100.0
205.12242	5.2
205.19272	4.9
259.13318	0.6
283.13266	0.6
311.12680	2.0
329.13721	0.8
343.15430	1.2
357.16922	1.5
381.16855	1.0
383.18799	0.5
389.17703	0.9
403.19052	0.9
404.19745	0.6
417.16406	1.2
419.22058	2.1
431.18179	1.0
432.18884	0.6
445.20197	1.3
446.20840	2.2
447.21875	2.3
505.25494	0.7
533.25189	17.8
533.32629	17.4
534.26245	2.1
534.32831	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
55.05505	4.4
57.07058	2.0
67.05498	7.3
69.07079	4.2
69.28944	3.4
69.29353	1.4
77.03899	0.8
79.05479	5.6
81.03392	1.4
81.07059	12.1
82.19862	0.6
82.52126	0.6
83.08603	1.2
87.58273	0.7
91.05482	7.3
93.07053	8.7
95.04934	2.2
95.08060	0.7
95.08607	11.2
97.10159	1.3
98.21213	1.1
98.22611	1.5
105.07031	32.6
107.04950	0.9
107.08596	10.2
108.09427	0.9
109.10155	8.2
117.07008	1.7
119.08581	25.7
121.10136	8.2
122.10914	1.4
123.11711	4.9
131.04967	1.1
131.08566	1.2
133.06479	5.3
133.10126	18.3
135.04420	25.9
135.11659	3.2
137.05949	3.3
139.03851	1.5
145.10152	1.8
147.11679	17.2
148.12474	5.0
149.13243	8.6
153.05510	1.0
157.10109	1.0
159.11665	1.5
161.13261	58.8
162.13815	2.4
163.14856	1.0
165.05400	1.0
173.92517	0.7
175.11174	7.1
175.14841	4.0
177.02945	0.8
178.55203	0.8
189.09142	1.1
189.16377	32.7
190.16743	0.8
191.07060	2.3
191.94351	0.8
193.08455	0.7
193.12282	1.3
203.10605	0.7
203.17958	28.3
204.18735	100.0
205.12206	6.3
205.19223	6.4
283.16885	5.7
311.12759	2.0
329.14142	1.3
339.23224	3.2
381.17114	2.1
414.26300	0.8
499.82312	0.8
533.32556	30.1
533.40302	1.4
534.33069	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.3
55.05516	2.1
57.03437	0.9
57.07074	1.1
67.05505	1.7
69.07073	2.0
69.25313	2.0
79.05485	0.5
81.07066	1.9
83.08622	1.1
85.10178	0.4
89.03922	4.1
91.05462	1.0
93.07038	1.1
95.08598	2.0
97.10177	0.8
98.23407	0.5
103.05476	0.7
105.06991	0.4
107.08603	0.7
109.10157	0.7
117.03380	13.5
117.04218	0.7
118.03731	0.3
119.08598	0.4
121.10163	0.6
131.04921	1.2
133.10144	0.3
134.03621	1.0
135.04408	1.2
135.11716	0.4
137.05978	0.5
145.02847	39.0
146.03178	1.2
147.11723	0.3
149.05989	4.5
162.03165	0.4
163.03893	0.9
169.19357	0.3
171.11621	0.3
177.05467	100.0
178.05788	3.0
186.05502	1.8
193.12302	0.3
195.00285	0.5
195.06602	1.4
209.55753	0.3
337.10394	0.3
339.29089	0.4
398.17014	0.6
499.34265	0.3
502.36517	0.3
533.27417	0.6
533.34363	2.1
533.42188	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01181	1.1
55.05518	8.0
67.05501	4.8
68.70457	1.2
69.07079	3.7
70.97430	2.5
73.04192	1.1
79.05495	6.0
81.07053	7.3
83.08605	1.3
91.05457	5.9
93.07047	5.6
94.04196	1.4
95.04969	1.5
95.08614	6.8
97.10169	9.0
103.05476	1.9
105.07024	17.5
107.04974	3.4
107.08611	7.8
109.06510	2.5
109.10167	5.6
115.05461	1.5
117.07029	2.1
119.08583	12.5
121.06522	2.9
121.10135	30.9
122.03642	3.1
123.08102	2.1
123.11691	1.8
131.04948	6.2
131.08594	2.7
133.06508	19.1
133.07451	2.3
133.10124	16.1
135.04436	6.9
135.08044	1.5
137.05977	100.0
145.06476	8.4
147.08080	3.6
147.11719	3.7
149.05981	2.4
149.13277	3.3
150.06717	1.3
151.07524	12.8
157.10143	1.9
159.08083	3.0
161.13353	2.0
163.07565	4.5
165.09093	9.6
169.83490	1.3
173.09628	2.4
175.07542	2.3
175.11215	24.1
177.09128	4.9
178.52922	1.2
179.10686	3.7
188.08453	1.3
189.09071	3.7
189.12724	1.9
191.02174	1.4
191.10690	1.4
201.09085	1.7
201.12737	1.3
202.09953	1.4
203.10683	7.7
203.17979	3.4
205.12192	10.1
207.13800	15.4
215.14398	2.3
233.15346	1.8
245.15443	2.5
247.16803	1.2
259.17010	2.2
269.15289	1.5
271.16895	1.6
297.14902	2.7
311.16516	3.7
357.20541	15.9
358.20761	1.9
371.22171	30.3
395.22165	2.6
409.23627	2.3
423.25378	2.8
437.27109	1.8
451.28427	21.2
452.28311	1.4
463.28403	7.6
533.25806	1.8
533.36121	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34974	1.3
67.05490	2.3
68.94424	1.4
69.06332	8.0
69.06756	3.6
77.29667	1.3
79.05494	2.2
81.07037	3.5
83.08606	1.7
83.32791	1.4
88.07605	1.4
91.05474	3.5
93.07047	2.6
95.08606	4.3
95.91125	1.4
96.23382	1.3
98.22646	3.2
105.03403	3.2
105.07040	3.1
107.08594	2.2
109.10162	1.8
118.58125	1.2
119.08608	2.9
121.10123	1.8
133.10127	2.4
135.11678	1.9
145.10101	1.5
149.09514	1.4
161.13301	2.3
178.08693	3.1
190.07724	1.5
205.06528	1.6
207.08047	2.6
217.95990	1.5
218.07227	2.8
219.08081	3.4
219.17477	3.6
221.06120	1.8
221.09523	2.7
222.10434	1.4
233.09590	4.8
235.07513	9.8
237.09103	2.0
247.07562	4.2
248.08293	2.3
249.09201	4.8
250.09967	8.0
253.76468	1.4
256.26389	3.1
261.09097	7.2
262.09900	5.5
262.25262	6.1
263.07086	8.2
263.10278	3.1
264.11328	1.7
265.08630	1.8
265.12253	6.9
275.06985	3.2
277.05704	1.4
277.08539	7.3
278.09311	12.9
279.09863	2.1
280.10956	2.4
289.08618	1.9
290.09332	4.6
290.91739	1.3
291.06857	3.0
291.10077	7.3
292.07831	1.7
292.10901	8.1
293.08075	5.6
293.11716	17.1
298.83505	1.3
305.08185	9.3
306.08716	3.2
308.10388	7.3
314.26080	1.3
319.09579	6.7
320.10385	15.5
321.07690	2.8
321.11148	9.9
323.12805	5.5
336.09851	4.5
350.11401	10.9
351.12253	100.0
352.12494	4.5
381.13297	80.2
382.13574	4.2
395.24051	1.7
533.42786	2.9
534.44861	6.5
535.27075	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25433	0.7
55.01869	4.6
57.03435	9.1
59.04992	1.5
61.02917	2.3
69.03427	8.5
70.35952	2.5
71.01357	2.5
73.02911	10.0
79.05484	3.0
81.07076	1.4
83.04980	1.0
85.02899	15.9
87.04453	1.0
91.05481	2.4
95.04963	1.1
95.08595	1.6
97.02886	7.8
97.06506	0.8
99.04460	1.1
103.03986	0.8
103.04836	0.8
103.05478	2.3
104.06258	1.7
105.07024	22.9
107.04951	1.5
109.02878	1.2
109.06497	2.6
115.03922	4.7
119.08632	0.7
121.06474	1.5
122.03597	0.9
123.08166	1.3
123.50469	0.7
127.03922	2.9
129.06918	1.0
130.36823	0.7
131.04904	1.5
132.05698	2.0
133.05006	7.2
133.06488	35.3
135.04370	1.7
135.08055	1.0
137.05969	24.4
137.07037	1.2
138.06268	1.2
139.07564	0.9
141.69826	0.8
143.08554	0.8
145.04999	4.0
145.06302	0.6
145.10153	1.1
147.08089	1.1
149.05954	1.5
150.06746	47.5
151.07179	1.0
159.08022	1.2
163.06084	1.1
165.09109	100.0
166.09460	3.2
167.08621	0.9
168.08939	0.8
175.07491	1.2
177.09122	1.8
205.12224	1.5
223.11049	1.3
223.13263	25.6
241.07114	1.0
251.14160	1.2
252.14787	1.7
264.28110	1.0
277.08646	1.1
281.19067	1.1
312.20493	1.2
337.10712	1.5
370.66647	0.8
408.22412	7.4
426.23691	6.0
438.23431	1.0
480.24469	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.0
60.08157	1.4
67.05498	1.5
69.03431	85.1
69.07071	1.4
69.63254	3.2
69.63651	2.2
79.05499	3.0
81.07063	4.7
83.04992	1.6
86.09707	4.3
91.05470	5.2
93.07047	4.8
95.04972	1.5
95.08611	3.0
104.10690	1.0
105.07002	4.9
107.04952	2.2
107.08618	2.8
109.06516	15.1
109.10149	1.3
111.08060	7.9
115.03911	1.4
117.06992	1.6
119.04958	1.7
119.08609	4.9
121.06534	2.3
121.10156	2.5
123.04469	1.1
123.08087	4.2
125.00010	2.5
125.09618	1.3
129.06990	2.1
129.61746	1.0
131.08580	3.1
133.10133	4.0
135.08060	3.4
137.06041	1.8
137.09669	1.7
139.07541	100.0
140.07904	1.4
141.07021	1.8
142.07800	1.5
143.08560	3.7
145.06502	3.0
145.10143	2.7
146.43333	1.1
147.08080	4.2
147.11623	1.6
149.09608	4.5
155.08574	4.3
157.08833	1.1
157.10123	5.4
159.08032	4.0
161.05956	1.9
161.09639	2.9
163.07541	2.9
165.06905	1.1
165.09138	1.8
166.07925	1.0
167.08583	1.7
169.10126	2.6
171.08038	2.6
171.11708	2.6
173.06033	1.2
173.09575	5.7
175.11172	4.3
177.09151	3.3
179.08583	1.2
180.09236	1.2
181.06514	1.3
181.08598	1.0
181.10138	2.8
183.08058	4.2
183.11697	1.3
184.07355	12.3
184.08856	1.8
185.06042	1.9
185.09636	3.5
187.07590	2.2
187.11154	2.0
189.09094	1.7
189.12761	1.3
191.10759	1.2
193.10126	2.6
195.08038	2.0
195.11723	2.6
197.09648	3.4
199.07564	3.0
199.11259	1.3
201.09143	3.8
201.12766	1.5
203.10536	1.5
205.10251	1.4
207.08078	2.0
207.11688	1.2
208.08923	1.1
209.09622	1.5
211.11183	3.1
213.09090	3.5
213.12788	3.3
215.10670	3.9
217.12216	1.4
219.09995	4.8
221.09741	1.9
222.10632	1.6
223.07301	1.2
223.11220	3.5
225.09166	2.1
225.12752	1.4
227.10677	2.3
229.12265	2.7
231.11893	1.3
233.09584	1.5
233.11731	3.3
235.11125	2.1
237.12762	2.7
239.10690	3.3
239.14250	1.6
241.12234	2.4
243.10010	2.9
247.11098	1.5
247.13335	5.2
249.12685	1.7
251.10599	1.9
253.12263	2.3
253.15953	1.1
255.13785	4.3
257.15356	1.4
259.13330	1.2
263.10654	2.4
263.14362	4.9
265.12289	3.7
265.15692	1.4
281.12012	2.0
281.15247	10.2
283.13211	6.0
285.14990	1.5
291.13672	4.9
299.12683	1.5
301.14304	7.2
305.15558	1.3
307.13638	1.4
307.16922	5.9
309.11426	1.7
309.14755	11.0
321.13312	2.0
321.18835	1.2
325.18018	4.1
327.16016	10.2
343.15396	4.1
345.17062	2.5
347.20169	2.5
351.15698	3.3
357.18646	1.4
361.16553	4.9
365.21225	2.4
367.18967	3.0
369.16925	7.4
375.19485	8.9
379.19159	1.6
387.18042	16.2
393.20609	20.1
394.21088	2.1
397.20175	1.5
403.19229	7.2
405.17828	1.2
411.21667	13.3
413.22910	2.4
419.21902	1.6
421.20135	26.1
422.20233	1.6
435.21768	3.7
437.23227	4.5
439.21146	66.6
440.21439	5.7
445.19986	1.8
453.22797	6.1
455.24261	5.9
457.22263	33.2
458.22235	2.1
463.21100	12.4
471.23764	3.8
473.25256	8.5
481.22183	24.9
499.23248	13.0
517.24432	4.9
534.26465	1.9
535.26990	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
54.83791	0.7
55.01843	1.3
55.05479	1.8
57.03401	2.3
60.08130	0.8
65.03915	0.8
67.05512	3.3
69.03426	6.9
69.07048	1.4
69.20118	0.8
69.20518	3.3
71.04974	0.7
73.02890	2.0
79.05504	4.3
79.05882	1.0
81.03388	0.6
81.07055	8.7
83.01218	0.7
83.04945	2.4
83.08614	1.0
85.02892	4.6
85.06492	1.5
86.09671	2.1
91.05480	4.7
93.06561	0.6
93.07038	7.7
95.04926	2.0
95.08604	8.3
97.02861	2.9
97.06505	2.1
99.04443	1.3
105.07014	5.6
107.04971	0.9
107.08595	5.5
109.02891	0.8
109.06511	11.7
109.10160	5.0
110.10517	0.6
111.08080	5.1
115.03883	1.2
117.06969	2.5
117.69492	0.7
119.08573	6.6
119.99625	0.6
120.08929	0.8
121.06513	3.2
121.10159	3.2
123.08074	12.6
123.11674	1.5
124.99974	1.8
125.09602	0.9
127.03882	1.5
128.06221	1.1
129.06915	1.9
129.40944	0.6
131.08551	5.5
133.04913	2.6
133.06467	1.7
133.10118	5.3
135.08066	4.3
135.08905	0.9
135.11638	1.8
137.05988	5.1
137.09560	1.7
139.07512	2.5
141.06958	1.0
142.07741	0.9
143.08583	4.9
145.04936	2.0
145.06441	2.1
145.10132	4.8
146.07256	0.8
147.08043	6.6
147.11664	2.6
149.05972	1.1
149.09613	7.0
149.13206	1.8
151.07518	1.8
151.11198	1.3
155.08546	2.2
157.06422	0.7
157.10181	3.4
159.08038	3.3
159.11723	3.1
161.05907	0.7
161.09630	11.6
163.06020	1.9
163.07521	1.6
163.11113	2.6
165.06917	0.6
165.09100	1.6
167.07085	0.8
167.08490	1.1
169.10071	2.9
171.11722	3.4
173.09615	5.6
173.13245	1.5
175.07571	5.2
175.11165	4.3
177.09029	1.7
177.12741	0.9
179.08534	1.1
181.10152	2.0
183.11644	1.7
184.07359	8.6
185.09630	4.0
185.13202	1.0
187.11194	4.9
188.11497	0.6
189.09119	4.2
189.12700	2.2
191.10623	2.5
193.08545	1.2
193.10201	1.2
195.11595	1.8
197.09586	1.7
197.13225	1.9
199.11174	2.3
201.09001	2.3
201.12689	1.9
203.10600	4.6
203.17918	0.9
204.11241	0.6
204.18188	0.9
205.08559	1.2
205.12193	0.6
205.19505	3.1
207.10008	1.1
207.11685	2.0
209.09612	1.1
209.13260	1.5
211.11104	1.2
211.14717	1.2
213.09157	0.6
213.12740	2.2
215.10655	2.5
215.14200	1.2
217.12152	2.6
218.10806	0.8
219.10123	2.4
221.13361	1.3
223.11267	1.3
223.14680	1.2
225.12709	1.6
227.10661	1.9
227.14314	2.4
229.12222	1.5
231.09969	1.0
231.13902	0.7
233.11671	1.0
235.14795	1.4
237.12653	1.7
239.10516	1.2
239.14302	1.8
239.17989	0.8
241.12189	1.7
243.10155	1.0
247.09499	3.3
249.12863	1.1
249.16479	1.3
251.14253	1.2
255.13748	1.7
261.11090	1.0
263.14462	0.9
263.17871	1.1
265.12378	0.9
265.15881	1.1
267.13751	2.9
267.17331	1.3
268.14624	1.0
269.15326	0.7
279.13989	1.0
279.17325	1.4
281.15173	0.6
295.10233	1.1
295.13315	1.0
295.20596	1.8
297.18567	0.9
303.12326	1.4
303.17447	0.8
307.16876	1.6
309.14981	0.8
309.18631	0.7
311.20102	1.3
311.23242	0.8
319.16840	1.1
321.13306	1.3
321.18512	1.4
335.16342	0.8
337.17780	1.6
337.21414	1.0
339.19534	1.5
347.15991	0.7
349.17953	2.1
351.19534	0.8
352.38849	0.6
355.18994	0.9
355.22668	4.0
365.17230	1.0
365.21234	1.1
367.19012	4.9
367.22922	1.1
375.19351	0.9
377.17038	1.4
377.21100	2.0
379.22784	1.4
382.17044	1.6
383.18329	1.8
387.19257	0.9
389.21329	0.8
393.20502	2.6
395.17795	3.8
395.22308	2.9
397.24023	0.9
403.18915	1.1
405.20551	2.3
407.22177	2.0
411.21631	16.2
412.21652	1.4
413.19440	1.9
414.21030	0.8
421.19968	2.7
421.24026	2.0
423.21146	9.5
423.26611	1.0
424.21631	1.2
425.23267	2.5
429.22958	0.9
433.20074	5.7
435.21750	2.6
437.26917	0.7
439.21149	4.9
439.25711	2.2
441.22784	1.2
451.21118	15.3
452.21466	1.4
453.22900	2.7
454.24115	1.3
457.22217	20.0
458.22137	1.2
463.20956	2.3
469.22238	40.6
470.22598	3.9
471.23914	1.2
472.25073	1.2
481.21686	8.6
482.22510	0.8
498.23291	1.8
499.23245	100.0
500.23459	8.8
516.24097	5.7
517.24298	16.8
518.24811	1.0
534.25433	62.9
535.26538	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.5
64.56903	1.2
67.05503	2.5
69.03430	5.0
69.07072	2.5
71.04978	1.2
79.05501	5.1
81.07063	12.2
83.04985	1.8
83.08635	1.1
84.80029	1.3
85.02919	2.1
91.05474	4.5
92.38372	1.1
93.07023	8.1
95.05012	2.5
95.08621	7.0
97.02890	1.1
97.06536	2.4
104.10761	3.0
105.07027	5.9
107.08610	4.9
109.06505	13.8
109.10139	2.8
111.08103	4.9
117.07020	3.3
119.08582	5.6
121.06494	5.0
121.07263	1.4
121.10149	3.6
123.08071	17.9
124.01434	1.2
129.07037	3.6
131.08604	6.0
133.06532	1.5
133.10112	6.0
134.34709	1.2
135.08054	4.3
135.11624	1.5
137.05989	10.9
138.06332	1.6
139.07516	3.3
143.08597	3.4
145.06500	1.6
145.10114	4.1
147.08023	7.3
147.11617	1.6
148.24716	1.5
149.06041	1.7
149.09608	6.0
155.08556	1.2
157.10167	3.7
159.08083	3.4
159.11734	3.3
161.05966	1.9
161.09633	10.9
171.08089	2.3
171.11693	2.3
173.09659	5.8
175.07544	5.5
175.11206	3.8
177.12700	1.7
180.10216	3.0
181.10107	1.6
184.07320	3.1
185.09619	2.4
185.13356	1.1
187.07550	1.4
187.11185	6.1
189.09143	4.1
189.12679	3.3
191.10706	2.4
197.09814	1.7
199.11224	4.0
201.09068	2.0
203.10719	2.6
207.10278	1.5
209.09708	2.4
211.11356	1.8
213.12801	2.6
214.41432	1.3
215.10658	1.3
219.10172	3.5
223.11320	1.7
225.09218	2.1
225.12631	1.5
227.07011	1.7
227.10667	2.1
239.14386	2.1
247.09654	1.9
249.16406	1.6
251.12486	3.1
255.13580	1.5
259.13513	1.6
265.16107	1.6
267.13895	2.5
269.15384	1.8
277.15964	1.4
303.12302	1.5
307.15186	2.5
321.18332	2.0
328.71451	1.5
367.19043	2.1
393.20535	2.6
395.22406	1.7
397.23804	1.9
405.20834	2.0
407.22150	2.7
411.21628	12.5
413.19473	2.3
421.19989	3.5
423.21738	12.5
424.21820	1.4
425.23236	3.5
431.20789	3.0
433.19971	5.3
435.21814	2.6
439.21091	14.3
441.23032	2.8
442.24307	2.5
449.21725	1.5
451.20926	6.8
453.23019	2.3
455.02243	1.4
457.22083	18.5
460.25342	1.8
463.21094	3.4
469.22220	53.1
470.22574	4.0
471.23926	2.6
481.22037	7.0
492.71945	1.5
499.23251	100.0
500.23685	9.4
505.18622	1.8
516.33649	6.7
517.24396	13.3
518.24646	1.3
534.25439	13.0
534.33160	2.1
535.28546	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	1.7
60.08167	20.8
66.88115	1.6
67.05510	3.8
69.09117	14.0
71.07372	5.5
71.60543	1.6
86.09708	50.3
91.05507	1.6
95.08603	2.3
98.98489	4.0
99.04459	1.5
104.10746	100.0
105.11063	2.1
112.04327	1.9
119.08560	2.2
125.00008	24.6
137.06013	1.7
149.02377	7.7
184.07350	86.9
205.44539	1.7
255.10075	2.0
265.08582	2.0
281.08325	3.4
281.11392	2.0
282.09021	2.7
295.13089	2.5
296.10519	1.7
298.08441	2.0
311.12842	2.0
312.10117	2.9
313.10651	3.4
314.11374	2.6
315.08737	2.2
318.11038	3.0
321.11261	3.6
323.12839	3.3
327.12442	3.4
329.10181	2.2
337.14194	3.6
338.14981	3.4
341.13953	2.5
344.12729	2.2
345.13397	2.8
353.13849	2.2
355.15308	2.7
357.13348	5.1
369.17059	8.3
370.17645	5.4
371.14941	2.2
373.16550	4.3
385.16516	2.2
386.17239	3.0
399.17862	2.8
401.19659	43.0
417.19308	8.7
499.23126	3.6
516.31012	5.3
517.16840	5.3
517.24823	3.5
534.32227	24.7
535.25299	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17659	5.1
55.05510	7.2
58.40140	4.8
67.05518	7.7
69.03433	12.6
69.04398	37.5
69.04807	17.6
69.07063	7.7
79.05501	10.3
79.96607	5.0
81.07068	31.6
83.04984	8.5
85.06531	6.2
91.05493	21.3
93.07034	14.3
94.34172	5.7
95.04970	9.3
95.08626	11.9
99.04465	19.8
99.24890	6.3
105.07049	23.5
107.08598	19.7
109.06543	42.4
109.10192	9.0
110.81091	5.7
111.08035	9.3
115.05435	6.5
117.07011	8.6
119.05021	6.8
119.08595	16.0
121.06507	7.3
121.10156	20.0
123.08071	12.1
127.03986	4.9
130.06512	7.0
131.08574	17.6
132.08098	20.8
133.10120	14.1
135.08058	6.7
137.05995	43.9
139.07536	7.4
141.07053	7.1
143.06909	6.9
143.08594	27.5
145.10141	16.1
145.94048	5.5
146.05980	10.0
147.08138	7.9
147.11722	7.5
153.05449	7.0
155.08577	21.5
157.10149	23.0
159.08047	9.3
159.09186	57.4
159.11658	10.3
160.09468	30.9
161.09647	9.3
167.07137	9.0
167.08589	14.9
169.10152	17.0
171.11702	25.1
173.09633	9.9
173.13213	10.6
173.39539	5.3
179.08578	9.1
181.10172	13.3
183.11714	16.6
185.13327	11.3
186.10551	6.6
188.07170	8.0
193.10132	10.8
195.08040	6.7
195.11711	21.4
197.13333	13.0
202.06055	12.3
205.09894	6.8
207.11815	11.6
209.13277	11.6
211.07376	6.4
211.14838	9.5
217.10231	8.6
218.10764	6.0
219.11642	13.1
221.13353	9.4
223.14775	7.9
233.13390	6.7
235.14926	6.8
237.12790	33.4
237.16327	7.8
239.14497	6.1
249.12869	13.1
251.14355	6.6
253.16042	6.9
265.16037	7.5
267.17554	6.9
279.17603	8.8
283.14453	8.9
284.14658	8.1
287.14194	6.9
289.15741	6.7
295.20554	13.7
301.15439	11.0
302.15875	18.9
305.19016	6.3
312.13745	7.7
355.22729	36.9
373.19904	11.4
393.20590	46.0
405.20596	21.5
407.22305	7.5
409.23953	10.0
421.24017	42.4
422.23907	8.4
423.25348	14.4
437.27045	11.3
439.24963	100.0
457.22321	7.1
463.24908	8.2
469.22412	12.9
481.25735	26.3
488.23270	9.5
499.22574	30.1
516.23663	8.8
517.24408	17.0
534.25421	13.2
535.19000	7.6
535.26373	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07225	1.3
59.81694	1.6
62.79408	1.3
67.05504	3.4
69.03421	8.1
69.38775	8.6
77.02727	1.5
79.05502	11.4
81.07059	71.1
83.04961	1.9
91.05485	5.0
93.07050	4.6
95.04949	3.6
95.08611	3.0
99.03342	1.3
105.07045	5.8
107.08575	3.5
109.06531	22.1
109.10201	2.1
117.07022	3.5
119.08582	4.2
121.05511	1.2
121.06512	2.8
123.08099	2.6
128.06235	2.2
129.07007	1.8
131.08554	1.9
132.23882	1.4
133.06512	2.3
133.10124	2.2
135.08058	2.9
137.02333	1.6
137.05978	100.0
138.06334	3.6
139.07562	2.3
143.08598	6.9
145.06468	4.2
145.10097	3.1
146.07281	2.6
147.08052	5.3
149.09578	2.6
154.15033	1.4
155.08603	1.4
157.10088	2.4
159.08057	5.7
159.09216	2.5
159.11749	1.5
160.08818	2.2
161.09680	4.2
163.07605	1.8
167.08562	1.7
171.08127	2.9
171.11726	2.8
173.09637	13.7
174.10365	1.4
175.11113	3.5
181.10187	2.0
183.08061	3.5
183.11745	2.0
184.07397	2.2
185.09636	2.9
186.10300	1.9
187.11125	1.5
189.09120	2.3
193.10027	1.7
194.10919	1.6
197.09616	2.1
197.13203	1.5
199.11191	3.9
201.12680	1.8
203.10713	3.1
207.11766	1.8
209.13184	2.6
211.11189	1.6
213.12643	2.1
217.08598	3.5
217.12433	1.4
223.11086	1.8
225.12772	3.6
226.13623	1.5
227.14246	1.6
237.12819	1.7
249.12669	2.0
251.14349	2.7
253.12311	2.1
255.13943	2.0
265.15939	1.7
267.13785	6.3
268.14578	3.3
279.13702	1.8
296.14066	1.7
297.14822	3.3
307.17010	2.2
327.15817	1.6
343.15152	2.5
345.16919	2.4
363.17978	2.1
387.19547	2.0
405.20654	17.0
407.18591	2.1
415.18625	2.0
417.20267	1.8
419.21152	3.0
421.20184	2.8
423.21854	1.8
425.19608	3.0
433.20166	19.7
434.20432	1.9
435.21887	4.5
439.21109	2.9
445.19861	1.6
451.21121	15.9
463.21179	6.3
463.27704	1.8
471.23752	2.7
481.22186	20.6
499.23303	13.1
517.24652	3.9
534.25470	13.0
534.40784	2.7
535.26355	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17659	5.1
55.05510	7.2
58.40140	4.8
67.05518	7.7
69.03433	12.6
69.04398	37.5
69.04807	17.6
69.07063	7.7
79.05501	10.3
79.96607	5.0
81.07068	31.6
83.04984	8.5
85.06531	6.2
91.05493	21.3
93.07034	14.3
94.34172	5.7
95.04970	9.3
95.08626	11.9
99.04465	19.8
99.24890	6.3
105.07049	23.5
107.08598	19.7
109.06543	42.4
109.10192	9.0
110.81091	5.7
111.08035	9.3
115.05435	6.5
117.07011	8.6
119.05021	6.8
119.08595	16.0
121.06507	7.3
121.10156	20.0
123.08071	12.1
127.03986	4.9
130.06512	7.0
131.08574	17.6
132.08098	20.8
133.10120	14.1
135.08058	6.7
137.05995	43.9
139.07536	7.4
141.07053	7.1
143.06909	6.9
143.08594	27.5
145.10141	16.1
145.94048	5.5
146.05980	10.0
147.08138	7.9
147.11722	7.5
153.05449	7.0
155.08577	21.5
157.10149	23.0
159.08047	9.3
159.09186	57.4
159.11658	10.3
160.09468	30.9
161.09647	9.3
167.07137	9.0
167.08589	14.9
169.10152	17.0
171.11702	25.1
173.09633	9.9
173.13213	10.6
173.39539	5.3
179.08578	9.1
181.10172	13.3
183.11714	16.6
185.13327	11.3
186.10551	6.6
188.07170	8.0
193.10132	10.8
195.08040	6.7
195.11711	21.4
197.13333	13.0
202.06055	12.3
205.09894	6.8
207.11815	11.6
209.13277	11.6
211.07376	6.4
211.14838	9.5
217.10231	8.6
218.10764	6.0
219.11642	13.1
221.13353	9.4
223.14775	7.9
233.13390	6.7
235.14926	6.8
237.12790	33.4
237.16327	7.8
239.14497	6.1
249.12869	13.1
251.14355	6.6
253.16042	6.9
265.16037	7.5
267.17554	6.9
279.17603	8.8
283.14453	8.9
284.14658	8.1
287.14194	6.9
289.15741	6.7
295.20554	13.7
301.15439	11.0
302.15875	18.9
305.19016	6.3
312.13745	7.7
355.22729	36.9
373.19904	11.4
393.20590	46.0
405.20596	21.5
407.22305	7.5
409.23953	10.0
421.24017	42.4
422.23907	8.4
423.25348	14.4
437.27045	11.3
439.24963	100.0
457.22321	7.1
463.24908	8.2
469.22412	12.9
481.25735	26.3
488.23270	9.5
499.22574	30.1
516.23663	8.8
517.24408	17.0
534.25421	13.2
535.19000	7.6
535.26373	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.05505	1.6
67.05497	2.2
67.88436	0.5
69.03425	1.8
69.06280	0.4
69.07063	1.0
71.04987	1.5
71.31591	0.6
79.05487	3.6
81.03407	0.6
81.07066	6.7
83.04990	0.7
84.13090	0.4
85.06543	0.6
91.05482	4.8
92.05784	0.5
93.07050	5.7
95.04967	4.9
95.08616	4.2
97.02889	0.9
97.06532	2.1
99.04456	5.3
105.07027	6.7
106.07321	0.5
107.04971	0.8
107.08605	5.2
109.06517	19.2
109.10159	2.0
110.06843	0.9
111.04465	1.0
111.08072	3.1
115.05428	0.6
117.06981	2.7
119.08580	7.5
121.06506	3.6
121.10122	5.4
123.04393	0.5
123.08060	7.1
123.11685	1.1
125.05983	0.7
125.09606	0.8
127.03896	1.4
128.06247	1.0
129.07010	4.0
130.07687	0.5
131.04910	0.6
131.08560	6.9
133.06502	1.6
133.10136	6.2
135.08089	2.5
135.11707	1.3
137.05988	8.0
137.09558	0.8
138.06325	0.6
139.07549	1.1
141.07033	1.5
142.07773	1.7
143.08569	9.6
144.09239	0.6
145.06490	1.7
145.10121	6.6
146.10773	0.9
147.04347	0.6
147.08037	8.7
147.11642	2.6
148.08397	0.5
149.06001	0.7
149.09610	2.3
149.13258	1.8
151.07506	0.8
151.11089	0.5
153.05515	2.1
155.08537	3.9
156.09381	1.0
157.10127	9.0
158.10712	1.2
159.08090	3.6
159.11688	5.3
161.09607	11.2
161.13261	2.1
162.09959	0.6
163.07588	0.6
163.11157	0.7
163.25977	0.5
165.07018	1.3
165.41576	0.6
167.07039	2.9
167.08582	1.6
168.09351	0.8
169.10126	6.0
170.10896	0.7
171.08090	1.7
171.11705	4.7
173.09679	3.3
173.13251	2.8
175.07599	1.0
175.11143	3.2
175.14764	0.8
179.07068	0.8
179.08490	1.2
180.09323	1.2
181.10094	3.5
182.10898	0.6
183.08144	0.6
183.11679	5.1
184.12381	0.7
185.09647	1.6
185.13293	1.7
186.13924	0.5
187.11205	1.6
187.14842	1.1
189.09076	2.5
189.12750	1.1
192.09264	0.7
193.10161	2.6
194.10945	0.7
195.07968	0.5
195.11696	6.7
197.09633	1.5
197.13290	3.6
199.11168	2.7
199.14799	0.9
200.11755	0.7
201.12785	2.0
203.10574	0.8
205.10233	0.7
207.10112	11.4
207.11758	1.9
208.10559	0.8
208.12437	0.5
209.09731	0.7
209.13223	4.7
210.13870	1.1
211.11197	1.5
211.14804	3.6
213.12753	2.2
213.16376	0.6
215.10696	0.8
215.14240	0.9
218.10767	0.8
219.11729	1.3
220.12479	1.2
221.13240	1.9
223.11336	1.0
223.14812	3.8
224.15591	0.7
225.12729	1.6
225.16374	1.9
227.14360	1.1
227.17950	0.9
231.11725	0.6
232.12505	0.8
233.13274	1.5
235.11270	0.7
235.14857	5.8
236.11769	0.5
236.15373	1.0
237.12729	1.5
237.16245	2.4
239.14264	1.1
239.18111	1.0
247.14803	1.3
248.11908	1.3
249.12646	0.8
249.16389	1.2
251.14316	2.1
251.18147	1.1
252.15147	1.0
253.15869	28.9
254.16527	6.8
255.17436	4.7
261.16452	0.8
263.14319	1.9
263.18036	1.3
265.15939	2.9
265.19470	0.8
267.13940	0.6
267.17422	1.4
269.15430	1.4
269.19022	1.1
273.15155	0.6
277.15894	0.5
277.19498	0.7
279.17526	1.1
281.15408	2.1
281.19031	1.5
283.17130	1.3
283.20605	5.8
284.17456	0.8
284.20740	0.7
293.18964	2.9
295.17252	0.8
295.20544	1.6
296.17319	0.5
299.16568	0.6
307.16907	0.9
308.17468	0.6
309.18814	0.6
309.22095	0.8
311.20020	5.1
313.18069	1.4
313.21640	3.8
325.17996	3.3
325.21472	1.0
327.19547	1.3
337.21530	1.6
343.19016	0.8
343.22675	5.5
344.23135	0.7
354.56863	0.5
355.22739	8.7
356.22769	0.7
373.24213	5.4
374.24219	0.8
383.22122	1.5
391.22739	4.4
403.22726	1.3
409.23727	100.0
410.24075	9.7
419.26071	0.6
421.23715	7.2
422.24100	1.2
423.25320	2.1
425.26852	2.4
433.23563	1.0
437.27252	2.4
438.20099	0.7
439.24844	12.9
440.25150	2.1
445.23505	3.3
451.24890	3.8
452.25223	0.9
455.28006	0.7
456.20804	0.9
463.24930	9.3
464.25113	0.9
469.26093	7.1
470.26251	1.2
471.23212	0.6
481.26071	20.7
482.26138	2.7
499.21951	0.6
499.27011	2.3
517.24323	3.7
534.23907	0.7
534.30792	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01883	0.8
55.05504	2.6
65.35347	0.8
67.05514	3.0
68.97695	0.7
69.03423	2.5
69.07071	2.8
70.05869	1.1
70.06214	2.5
71.05011	1.6
76.26706	0.8
79.05496	3.7
81.03426	1.1
81.07063	10.2
83.04993	2.0
83.08629	0.7
85.60970	0.8
91.05488	5.4
93.07044	5.4
94.54782	0.8
95.04990	2.6
95.08611	5.7
97.02915	2.2
97.06528	1.3
99.04462	7.3
105.07021	7.8
107.04972	1.8
107.08604	6.5
109.06525	19.6
109.10152	4.2
111.04453	1.6
111.08093	2.1
115.05524	1.1
117.07018	4.5
119.08591	8.8
121.06509	2.3
121.10164	4.8
123.08086	3.9
125.05964	1.2
125.09628	1.5
127.03941	1.5
128.06244	1.9
129.07042	3.5
130.06526	0.9
131.08548	7.1
132.08041	0.9
133.10132	6.3
135.08069	2.6
135.11696	1.8
137.05994	13.3
137.09637	1.2
139.07568	1.8
141.07008	3.7
142.07753	1.7
142.23401	0.8
143.08556	8.4
145.06494	1.9
145.10138	8.8
147.08070	2.4
147.11719	3.4
149.05893	0.8
149.09595	1.6
151.07584	1.9
155.08566	7.7
156.09381	3.0
157.10150	9.6
159.08022	1.5
159.09163	6.3
159.11673	5.8
160.09497	3.6
161.05971	1.7
161.09625	4.6
161.13219	1.5
163.07526	1.6
165.07031	2.4
165.09111	1.1
167.07184	1.3
167.08577	3.6
168.09399	1.3
169.08731	1.7
169.10100	7.5
170.10780	1.6
171.11681	10.9
173.09654	2.6
173.13261	4.1
175.07516	1.5
175.11227	2.0
177.09232	0.9
179.08568	2.4
181.10106	5.7
182.10931	1.5
183.11679	6.1
184.12288	0.8
185.09613	1.6
185.13272	3.9
187.11162	2.1
187.14871	1.5
189.09033	1.0
189.12720	1.5
193.10197	3.2
194.10971	2.2
195.11710	6.2
196.12437	1.4
197.09613	1.8
197.13263	7.8
198.10338	0.9
198.13884	1.2
199.07487	0.8
199.11284	1.9
199.14886	3.4
201.12706	1.3
201.16388	1.1
205.10164	2.5
206.10861	1.1
207.11652	5.2
208.12437	1.4
209.13200	7.1
210.13899	1.2
211.11119	1.3
211.14844	8.0
212.15599	6.2
213.12788	2.0
213.16280	2.5
217.10150	1.6
218.10696	0.8
219.11676	1.6
220.12447	1.9
221.13219	5.5
222.14078	1.3
223.11165	1.6
223.14787	5.1
224.15457	1.6
225.12834	1.0
225.16437	2.2
227.14415	1.1
229.15926	1.4
232.12408	0.9
233.13284	2.4
234.13968	1.0
235.14857	2.4
236.15482	1.1
237.12743	3.3
237.16319	5.4
239.14415	2.0
239.17877	2.1
245.13306	1.4
247.14844	3.7
248.15582	1.8
249.12781	1.5
249.16391	3.1
251.14233	1.2
251.18138	1.8
253.16071	0.9
253.19502	1.3
255.17125	1.1
261.16507	1.3
263.18027	2.4
265.13101	0.8
265.15933	3.7
265.19440	2.3
266.16467	1.6
266.20203	1.5
267.13980	0.9
267.17432	1.9
267.21127	4.2
275.17740	1.6
277.16068	1.1
277.19516	5.2
279.13919	0.8
279.17444	1.0
281.19077	1.2
283.14322	1.0
283.20624	1.1
284.14804	1.9
291.17694	1.2
293.18976	1.6
294.19778	1.3
295.20596	9.6
297.15085	0.9
297.18610	1.2
301.15543	1.5
302.16037	2.3
305.19067	2.0
311.23740	3.0
323.20132	2.1
337.21591	2.5
338.80276	1.1
347.19901	1.0
355.22687	36.9
356.22989	3.5
373.19894	1.3
383.18097	2.9
385.21539	1.3
393.20258	2.1
393.24695	1.7
403.22916	3.9
405.20554	1.6
421.23798	37.5
422.24048	3.9
437.26874	5.0
439.24835	100.0
440.25003	9.4
445.23953	1.2
455.25693	1.2
457.22086	1.0
463.24951	9.8
473.26495	1.2
481.25961	19.3
482.26016	1.6
499.23715	3.4
517.25159	3.7
534.25244	1.8
535.26526	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91469	0.2
53.56163	0.2
56.05035	0.7
58.06604	0.4
59.49961	0.2
60.08160	6.6
63.68035	0.3
69.07070	0.3
71.07375	3.9
75.34343	0.3
79.05492	0.6
81.07059	0.6
84.60336	0.2
86.09703	31.8
87.10027	0.5
91.05480	0.4
93.07052	0.8
95.08600	0.6
98.98475	3.6
103.47225	0.3
104.10738	3.8
105.07034	0.4
105.19952	0.2
107.08586	0.4
109.06507	0.2
119.08617	0.6
122.36864	0.2
125.00001	22.5
130.35426	0.3
137.06021	0.4
143.00957	0.3
147.11734	0.3
159.11687	0.3
161.09618	0.3
184.07338	100.0
185.07681	1.8
185.09416	0.5
258.11011	0.5
433.19867	1.0
440.24860	0.4
441.25543	1.9
451.21149	1.5
453.22333	0.3
463.20889	0.4
481.21967	1.3
490.26382	0.7
498.29587	0.6
499.23331	1.5
516.30750	2.4
517.25647	0.5
534.25165	0.8
535.26691	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
56.05035	1.9
57.03450	0.5
58.06600	1.5
59.07384	0.4
60.08165	19.5
63.50569	0.4
67.05508	1.3
68.21564	0.4
69.07058	0.6
69.20063	0.4
70.06634	0.5
71.07378	7.5
71.08626	0.9
71.30626	0.6
79.05493	1.5
81.07049	2.3
83.04994	0.5
86.09706	54.9
87.10026	0.9
89.24046	0.3
91.05502	1.2
93.07042	1.5
95.05014	0.5
95.08607	1.4
98.98464	4.6
99.08088	0.7
99.94993	0.4
104.10744	100.0
105.07040	1.4
105.11086	1.5
107.08569	0.9
109.10179	0.5
114.95882	0.4
119.08559	1.0
121.10155	0.7
125.00005	30.9
135.11720	0.7
145.10057	0.5
151.11232	0.8
163.01663	0.4
179.14328	0.9
184.07344	97.1
185.07773	1.7
258.11127	0.8
291.89410	0.4
351.25467	0.4
353.13956	0.6
357.13681	0.6
399.18011	0.6
417.19000	0.9
450.23306	0.5
463.28354	0.6
473.26575	0.6
516.30835	6.2
517.24860	0.8
534.32001	27.3
535.25165	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81542	0.1
56.05035	0.6
58.06631	0.4
60.08167	7.3
63.06479	0.1
67.05510	0.2
70.10220	0.3
70.10609	0.2
71.07377	3.9
71.08631	0.3
79.05490	0.3
81.07051	0.3
86.09708	34.5
87.10040	0.5
89.99512	0.1
91.05470	0.2
93.07069	0.3
95.08621	0.2
98.98469	3.4
99.08076	0.2
104.10750	4.9
105.07039	0.2
107.08607	0.3
118.60850	0.1
119.08602	0.1
125.00008	23.5
135.11650	0.1
143.01042	0.2
151.11188	0.1
167.84673	0.1
179.14232	0.1
184.07349	100.0
185.07697	1.7
258.10892	0.3
273.43564	0.1
378.41077	0.1
378.45490	0.1
445.75772	0.1
516.30597	0.9
534.32446	3.4
535.25952	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10209	2.8
55.01878	6.2
55.05509	9.7
57.03437	18.8
59.79811	3.2
61.02924	12.8
64.58271	3.3
67.05510	18.0
69.03427	36.3
69.07066	14.1
69.12643	28.8
71.01356	4.2
73.02636	2.6
73.02934	31.1
76.81829	3.3
79.05504	11.3
81.03431	5.9
81.07056	22.8
83.04986	3.9
85.02907	98.2
86.09724	9.3
87.04470	5.2
87.15617	3.1
91.05475	12.9
93.07050	19.8
95.04950	5.2
95.08607	52.9
97.02894	49.2
97.10139	4.6
99.04442	3.9
103.03966	3.8
104.10735	5.8
105.07026	13.4
107.08578	22.8
109.02911	8.6
109.10158	33.2
115.03940	23.9
117.07005	4.5
119.08605	11.6
121.10148	12.0
123.11699	19.2
125.00021	6.4
127.03920	33.2
131.08617	5.5
133.04944	46.3
133.06519	4.4
135.11688	13.5
137.06062	3.6
143.08545	5.9
145.04961	40.4
145.10176	4.5
147.11700	7.4
149.13280	19.9
157.10161	7.3
163.06073	35.6
169.10202	4.5
181.10057	3.9
183.11681	5.5
184.07329	18.3
185.13280	3.9
187.11087	3.8
195.11555	5.0
197.13385	4.0
203.17996	5.1
204.18268	7.8
205.19583	39.6
206.19875	3.5
209.09547	4.2
223.06012	5.8
241.07031	8.6
247.14696	3.9
259.08203	10.5
267.13919	3.5
295.10162	5.5
473.26675	4.0
481.29507	10.6
517.25195	11.4
534.25714	35.5
534.33142	5.2
535.15607	10.6
535.26385	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39037	5.5
55.05521	24.4
57.07079	14.6
66.69050	5.7
67.05508	72.0
69.07072	24.3
69.11064	25.8
69.11465	12.4
71.08635	9.2
74.45723	5.9
79.05494	30.7
81.07055	100.0
83.08621	22.2
86.09726	16.6
91.05493	22.8
93.07031	28.2
95.08615	81.3
95.13860	5.5
97.10147	7.7
98.23358	11.9
104.10757	34.0
105.03373	6.8
105.07034	21.6
105.07712	5.0
107.08597	24.3
109.06548	6.2
109.09534	5.9
109.10178	38.5
111.08099	8.5
116.53260	6.3
119.08588	13.4
121.10168	23.4
122.13578	5.8
123.11720	27.2
124.99999	7.3
133.10149	16.5
135.11720	12.0
137.13240	7.6
147.11723	14.5
149.13275	9.5
151.14828	8.1
155.14308	9.1
161.13292	14.0
163.14822	7.1
165.16435	13.7
175.14844	14.7
184.07315	28.0
189.16396	9.0
231.91347	5.2
245.22704	65.0
246.23213	7.6
263.23730	72.4
283.03146	6.0
337.27313	37.2
534.35193	9.9
535.28284	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.0
55.05511	18.4
57.03445	5.8
57.07074	8.3
60.08168	11.9
67.05511	66.7
69.07058	19.1
71.07368	3.8
79.05494	14.9
81.07057	75.1
83.08632	17.5
85.02910	7.0
86.09710	32.4
91.05477	15.3
93.07040	24.1
95.08617	62.6
97.10174	12.7
98.23405	12.0
104.10749	100.0
105.03419	8.0
105.06985	9.7
107.08597	15.5
109.10160	30.4
111.08142	5.6
119.08598	13.3
121.10151	13.5
123.11716	15.5
125.00011	17.6
133.10164	13.5
135.11754	13.8
136.94145	3.5
137.13257	9.0
139.11328	4.1
147.11623	8.9
149.13348	10.7
151.14839	6.9
161.13307	9.6
163.14885	9.8
165.16348	10.0
175.14894	12.8
176.00926	3.8
179.17929	6.3
184.07333	49.6
187.79646	4.1
203.17857	5.8
229.25752	4.1
245.22659	41.2
252.20354	3.8
262.25177	4.2
263.23651	44.2
264.24081	5.5
301.85092	4.8
337.27405	41.8
475.22119	15.2
534.35541	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	29.5
56.54464	8.6
57.07056	8.3
62.52908	8.4
67.05491	50.0
69.07055	33.5
71.30463	9.8
79.05493	37.8
81.03434	11.0
81.07057	63.4
82.07407	10.9
83.08599	12.9
91.05467	34.7
93.07041	52.8
95.04981	9.7
95.08604	100.0
97.10152	13.1
105.07014	41.3
107.08591	64.4
109.10150	35.5
119.08576	52.5
121.10137	46.3
123.08087	15.3
123.11735	17.9
131.08568	22.3
133.10143	40.0
135.11627	10.8
137.09679	9.3
141.09251	9.1
143.08542	11.1
145.10173	18.9
147.08034	13.4
147.11703	20.7
149.09581	10.3
157.10138	17.7
159.11725	22.2
161.13284	26.0
163.11154	11.8
166.72650	8.1
171.11595	12.2
173.09666	9.5
173.13210	17.2
181.12241	8.9
183.11757	11.6
185.13220	17.4
187.11322	8.2
187.14801	15.7
217.16078	7.8
262.25354	20.5
301.21500	10.8
457.82666	9.0
465.33807	14.2
483.34726	54.3
493.22690	9.2
534.25800	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	35.4
67.05512	67.4
67.89204	10.3
69.03428	11.5
69.07063	32.7
69.17279	9.8
78.59804	10.8
78.86605	11.3
79.05476	32.3
81.07066	69.2
83.08608	21.6
91.05459	32.4
93.07050	64.8
93.29547	13.2
95.04979	26.9
95.08607	100.0
97.10175	13.1
105.07036	58.7
107.08578	74.3
109.10165	62.1
117.06993	11.1
119.08583	64.6
121.10143	49.7
123.08009	15.2
123.11686	15.2
131.08588	20.5
133.10158	57.7
134.58945	11.8
135.11674	26.4
143.08571	21.7
145.10117	45.1
147.07999	13.2
147.11676	25.6
149.09566	13.9
149.13257	13.7
151.11212	13.5
157.10144	30.2
159.11665	27.8
161.09665	14.9
161.13232	22.4
173.13266	31.2
175.11250	19.7
175.14792	31.9
179.10725	13.7
184.07448	14.9
185.13184	15.5
201.06596	12.1
214.50526	11.0
215.14285	18.1
245.22661	13.2
249.18469	12.2
263.23691	23.8
354.34338	11.2
396.40250	11.3
431.29404	22.8
449.30576	35.8
481.33127	21.5
499.34058	35.0
535.28241	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
53.03952	1.3
53.59884	0.2
54.03426	0.2
54.91595	0.2
55.05513	9.8
56.05037	5.9
57.07077	4.3
58.02942	0.3
58.06586	0.9
60.04525	4.1
65.03940	1.3
67.04236	0.9
67.05505	17.0
68.05030	2.0
69.07069	12.0
70.06588	2.5
71.08640	2.2
72.08144	0.2
74.06081	0.3
76.04002	0.2
77.03924	0.5
79.05492	15.0
80.05019	5.1
80.05779	0.2
81.03405	0.3
81.05803	2.1
81.07057	15.1
82.06579	10.1
82.07371	0.5
83.04976	0.5
83.08619	6.2
84.08147	0.5
85.10179	0.9
86.06094	0.5
91.05479	14.0
92.05804	0.3
93.05790	0.7
93.07048	12.7
94.06569	24.2
95.04985	1.6
95.07353	12.4
95.08605	12.2
95.09232	0.4
96.07554	0.4
96.08134	6.6
97.06525	0.7
97.10168	3.0
98.06058	0.6
98.23339	0.7
100.07608	0.5
104.64137	0.2
105.04508	0.8
105.07027	8.0
106.06554	0.4
107.07349	0.6
107.08592	6.7
108.08120	4.3
109.06479	0.2
109.09000	0.3
109.10150	4.5
110.09675	0.5
111.08054	0.2
111.11702	1.1
112.07581	0.2
114.09129	0.2
114.66513	0.2
117.07004	0.5
119.08581	6.7
120.08095	0.6
121.08848	0.7
121.10143	6.7
122.09675	3.2
122.10506	0.2
123.08080	0.3
123.11691	1.7
124.11222	0.5
125.09657	0.3
128.14342	0.3
133.09201	0.4
133.10133	4.5
134.09616	0.5
135.10471	0.7
135.11676	4.0
136.11165	1.0
137.13261	0.8
147.11685	1.5
149.12061	0.4
149.13223	1.7
151.14830	0.5
161.13260	0.9
163.14801	0.5
175.14819	0.4
182.19002	0.5
187.30519	0.2
191.17972	0.6
193.19490	0.4
196.20612	0.3
203.17937	0.3
219.21112	0.6
220.20784	0.3
233.22649	4.3
233.24809	0.4
234.22169	0.8
237.22092	0.2
245.22639	3.8
246.22893	0.3
248.23633	0.3
250.25307	10.6
251.25638	0.5
254.24796	0.8
260.23691	0.5
262.25293	100.0
263.25720	4.5
272.25845	4.2
280.26340	11.0
281.26709	0.4
486.46451	0.3
504.47678	1.3
516.40625	0.4
516.47705	4.5
517.47864	0.5
534.48865	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	1.3
55.01878	3.5
55.05499	1.7
59.68805	1.3
65.03935	1.3
69.03427	2.4
69.07081	2.0
69.28275	10.2
73.04755	2.1
79.05485	4.3
81.07047	6.6
91.05508	5.9
93.07076	2.7
94.04186	4.2
95.04932	1.4
95.08632	2.5
97.02827	1.3
103.05488	3.4
105.07042	4.5
107.04943	3.2
107.08635	1.7
109.06532	6.0
115.05467	2.5
117.07059	3.0
119.04976	2.1
119.08561	2.8
119.87511	1.2
121.06503	2.2
122.03652	8.2
123.08102	1.6
129.06993	1.9
131.04926	6.7
133.06485	1.9
133.10156	1.9
135.08076	1.6
137.05983	100.0
139.07510	2.2
141.07045	1.8
143.08600	3.3
145.06525	2.7
147.04378	1.5
147.08058	1.4
147.11722	1.6
149.05963	3.3
151.03905	3.9
151.07544	4.0
155.04938	2.4
155.08624	1.5
157.06509	1.5
159.08138	1.7
159.11653	2.5
160.05252	1.8
161.05989	6.5
163.03867	1.5
163.07530	3.4
165.06970	2.0
167.05579	4.6
167.06987	2.4
171.04471	1.5
173.09627	1.5
175.07547	4.4
177.05476	2.2
179.07094	1.5
179.08580	1.7
181.06465	1.6
185.05981	5.1
187.07536	3.9
189.05650	2.0
191.07080	3.5
195.08025	1.5
202.07761	2.5
203.06926	6.5
203.08719	2.4
205.06535	3.0
206.07288	2.1
207.08109	1.9
209.09595	2.0
210.06836	2.1
215.07001	3.1
217.06404	2.2
218.07303	1.7
219.08086	3.5
221.05957	1.5
221.09656	1.6
225.09106	2.7
231.08188	3.2
234.06783	5.2
235.07553	2.7
237.09207	1.6
238.06248	1.9
239.07045	1.8
243.08102	1.7
245.06192	2.0
247.07669	3.8
248.08278	1.9
249.05421	2.1
249.09117	5.9
251.06929	1.7
253.08638	3.7
258.06683	2.8
259.07623	2.5
260.08282	2.0
262.06290	2.4
262.09827	1.4
263.07086	1.9
265.08661	2.1
267.10193	1.8
268.07391	1.4
271.07477	1.7
277.08432	7.8
278.09100	1.8
279.10162	1.9
283.09668	2.9
284.10538	2.1
285.11319	6.5
287.07208	2.6
291.10037	3.2
297.11203	3.7
299.06277	10.3
301.08752	3.8
303.10052	1.6
305.08157	4.9
307.09641	4.3
309.11319	4.9
315.06332	1.5
319.09641	3.9
331.09729	2.9
333.11252	5.2
337.10675	16.4
338.11038	2.0
344.97510	2.7
345.11392	3.3
351.12460	10.0
355.18646	3.4
363.12497	6.5
373.19727	3.0
377.11893	2.2
379.09543	1.8
405.11163	2.5
415.03564	2.1
423.12195	2.9
425.14075	2.0
427.15411	5.9
437.13754	6.3
439.20801	8.6
441.25415	1.6
454.14371	1.6
455.14862	20.6
457.16266	6.0
457.22052	3.3
467.15677	1.8
469.16397	14.7
470.17053	1.9
475.17209	3.9
475.25571	2.8
481.16248	3.2
487.17490	17.4
499.17584	4.3
517.24475	4.9
535.26355	14.2
535.32709	2.1
559.81238	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	13.1
55.05524	13.0
55.24675	5.2
57.03455	9.2
57.07080	37.5
69.03423	10.7
69.07056	11.7
69.11414	47.0
71.04988	6.3
79.05506	14.3
81.07056	11.4
83.04994	6.7
85.02919	29.0
85.06569	13.5
91.05492	11.9
93.07048	17.7
95.04980	8.4
97.02901	9.0
99.04501	7.3
104.39651	5.9
105.07038	19.6
107.08595	11.3
109.02884	11.3
109.06528	13.0
111.08080	17.6
115.05433	6.4
117.06986	6.6
119.08579	12.1
120.70933	5.7
121.02867	10.6
121.06503	7.5
121.10136	7.6
123.04406	13.7
129.07007	7.7
131.04901	9.3
131.08574	15.7
133.10129	7.6
135.08060	14.1
137.05977	23.1
141.07146	5.9
142.07884	5.9
143.08583	13.4
145.06497	5.8
145.10178	13.9
147.04478	7.1
147.08047	12.7
149.06003	6.8
149.09624	5.6
151.03899	13.8
155.08595	7.8
157.06494	9.4
157.10133	5.9
159.04504	6.3
159.08043	11.8
159.11757	6.9
160.05127	5.5
161.05963	31.7
161.09613	13.4
163.07579	9.2
171.04480	6.1
171.08076	10.2
173.09637	8.1
173.13248	7.5
175.03961	10.4
175.07594	19.1
177.05528	6.4
177.09013	8.7
183.11768	6.1
185.06087	10.4
185.09650	8.0
187.03912	7.4
187.07526	14.4
187.11177	7.0
189.05348	15.7
189.09129	12.7
189.12796	8.7
199.03966	6.5
199.07564	8.8
199.11151	7.4
201.05481	9.9
201.12738	7.6
203.07011	36.4
203.10641	9.8
205.04875	17.9
205.08624	12.1
211.07570	14.1
213.05550	7.2
213.09171	11.3
213.12848	7.4
215.10744	14.0
217.04999	13.8
217.08672	19.0
218.05586	8.8
223.07744	7.1
223.09663	13.2
227.07150	10.6
227.10562	8.5
229.05017	6.1
229.08623	12.6
229.12187	6.2
235.09756	21.0
239.07060	7.7
241.08578	7.1
243.10321	16.6
243.13585	6.7
245.04440	6.9
245.08060	7.3
247.09726	30.1
253.10834	8.3
255.10115	12.9
259.06076	8.5
259.09732	21.8
261.07651	8.6
263.09167	19.6
265.10770	30.6
271.09668	16.0
273.11148	10.9
277.10556	37.4
283.09671	15.6
285.11310	6.2
289.10645	45.4
291.12125	15.7
297.11209	11.2
299.06241	13.3
301.10754	54.5
303.12216	7.3
309.11133	13.6
313.10672	31.1
319.11743	36.5
323.16626	6.7
325.10648	23.4
327.12320	6.9
331.11771	63.4
337.10767	10.6
343.11627	49.9
349.12860	13.8
355.11597	52.1
357.13129	8.6
361.12744	30.9
367.14359	57.8
379.13782	25.4
385.12750	30.7
397.13126	24.4
403.13977	31.5
409.12897	9.2
415.14069	27.2
415.18939	6.8
421.15048	16.0
427.13995	20.0
427.25076	6.2
431.20505	8.6
433.14957	36.3
439.21326	6.8
445.15002	13.1
453.22818	13.0
455.24176	13.2
463.15945	17.1
471.23386	11.1
481.16437	7.6
499.23502	48.4
517.24506	55.3
535.21210	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01861	0.4
55.05502	0.3
57.03427	0.6
57.89112	0.2
61.02918	1.1
63.01579	0.2
67.05508	0.3
69.03430	3.8
69.07063	0.3
69.35426	0.8
69.35833	0.4
71.04980	0.4
71.47191	0.2
73.02907	0.2
79.05476	0.7
80.00415	0.2
81.03424	1.1
81.07056	0.4
83.04969	0.3
84.45322	0.2
85.02902	5.9
87.04475	0.3
91.03950	0.3
91.05466	0.4
93.07044	0.5
95.08613	0.7
97.02891	2.0
99.04433	0.6
99.08112	0.2
105.07040	0.7
107.04950	0.2
107.08585	0.3
109.02901	0.5
109.06520	0.5
115.05460	0.4
117.06997	0.4
119.04928	0.3
119.08582	0.4
119.43216	0.2
121.06504	0.7
121.10157	0.3
123.08065	0.3
127.03904	0.9
128.00415	0.2
129.06960	0.2
131.08597	0.3
133.06458	0.2
137.05972	0.6
139.07486	0.3
145.04962	0.4
145.06467	0.6
151.03908	0.4
151.07573	0.3
153.05524	0.3
155.08504	0.2
157.10071	0.3
159.08064	0.7
161.06020	0.8
161.09702	0.3
165.07022	0.5
165.09236	0.2
167.05739	0.2
167.07027	1.1
167.08430	0.4
169.06470	0.5
169.10179	0.3
173.05975	1.7
177.09053	0.3
178.07741	0.4
179.08569	0.4
181.06442	0.4
183.08066	0.4
183.11655	0.3
185.05994	0.3
185.09537	0.2
187.07571	0.6
189.05481	0.6
189.09200	0.3
190.07802	0.3
191.06978	0.5
191.08586	0.4
191.10677	0.2
192.09325	0.5
193.10158	0.6
195.08090	0.6
196.05135	0.3
197.06020	0.8
197.09595	0.5
198.06801	0.2
199.03806	0.3
199.07677	0.2
201.05460	0.3
201.08998	0.2
203.08588	0.4
204.09341	0.3
205.06531	0.5
205.08411	0.3
206.10938	0.3
207.06430	0.3
207.11766	0.4
208.08865	0.4
209.09628	0.9
210.06757	0.6
210.10320	0.4
211.07503	1.5
211.11082	0.3
212.04755	0.3
212.08318	0.2
213.05449	0.7
214.06198	0.5
215.03389	0.7
215.06953	0.2
219.06314	0.3
219.08109	0.7
219.09964	0.3
220.08859	1.9
221.07817	0.3
221.09636	0.9
222.06796	0.4
222.10329	0.5
223.07681	1.0
223.11124	0.4
224.04633	0.7
224.08359	0.3
224.11992	0.3
225.05421	0.6
225.09087	1.4
225.12749	0.8
226.06271	0.6
227.03668	0.3
227.06992	0.5
228.07777	0.6
229.04991	1.7
231.08081	0.5
232.08810	0.4
233.09621	0.5
234.06740	0.5
234.10402	0.7
235.07513	0.8
235.11214	2.6
236.08247	1.0
237.05464	0.4
237.09119	1.5
237.12802	0.3
238.06244	0.8
238.09811	1.8
239.07008	1.7
239.10612	1.0
240.07762	0.4
241.04987	0.4
242.05717	2.3
243.02895	0.5
243.06604	0.7
243.10019	0.2
245.04172	0.2
246.05217	0.3
247.07574	0.7
248.08311	2.4
249.05371	0.3
249.09076	2.4
250.09880	1.0
251.06976	1.2
251.10675	3.6
252.07820	0.7
252.11333	0.7
253.04950	1.3
253.08527	0.9
253.12230	2.4
254.05731	0.4
254.08960	0.2
255.06506	0.3
255.10201	0.7
256.07263	1.5
256.09738	0.2
256.10904	0.2
257.04510	0.5
257.08109	1.6
258.05231	0.5
259.05951	0.3
261.09320	0.3
262.09848	1.2
263.07214	0.5
263.10654	5.2
264.07803	0.5
264.11462	0.8
265.08603	3.1
265.12170	0.6
266.09348	2.0
267.06555	1.9
267.10062	1.4
267.13770	0.5
268.07227	0.5
269.08072	0.3
269.11603	0.5
270.04913	0.4
270.09268	0.3
270.12607	0.3
271.06006	1.0
271.09341	0.9
272.10199	0.2
273.07513	1.0
275.05258	0.6
276.07733	0.5
277.08575	2.7
278.09320	0.7
279.06659	0.9
279.10114	7.0
280.07452	0.5
280.10864	3.6
281.08109	2.9
281.11725	5.5
282.08838	0.4
282.12289	0.6
283.06461	0.3
283.09647	1.5
284.06699	0.7
285.07553	3.6
285.10663	0.3
285.14801	0.8
286.08353	1.0
287.05649	0.3
287.09045	0.4
288.06277	0.2
289.06873	1.1
290.07635	2.6
291.10165	3.4
292.10861	2.2
293.08051	2.1
293.11670	1.0
294.08981	1.3
294.12112	0.4
295.09653	2.5
295.13290	4.0
296.06857	0.5
296.10400	6.1
296.13690	0.5
297.07706	0.5
297.11099	0.9
297.14703	0.3
298.08478	0.4
298.11996	1.2
299.06210	0.2
299.09164	4.7
299.12320	0.3
300.09744	0.7
301.07217	0.3
302.07831	0.7
303.08585	1.2
304.09268	1.7
305.10355	0.7
307.09698	0.3
308.10458	2.6
309.11212	7.8
310.08539	0.4
310.11871	2.4
311.09106	2.5
311.12772	4.5
312.09683	0.5
312.13184	0.4
313.10675	0.7
313.14310	2.9
314.14664	0.3
316.09494	0.3
317.10120	1.6
318.10931	0.3
323.12747	4.9
324.13406	0.9
325.10638	0.8
325.14139	0.5
326.11389	2.7
327.12231	1.0
327.15988	0.6
331.11685	2.1
340.13034	0.4
341.13818	100.0
342.14322	6.6
343.11588	0.3
355.15375	11.7
356.15839	0.5
358.14160	0.6
373.16434	13.3
374.16843	0.6
399.16119	0.2
481.21765	0.7
499.22836	0.7
517.24146	1.2
535.21600	5.8
536.21997	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
55.05502	2.3
65.03932	0.7
67.05498	2.5
69.03430	3.6
69.07056	0.9
71.04971	0.8
71.30631	0.8
79.05497	2.3
81.07058	3.2
83.04992	2.2
83.08605	0.8
85.02884	1.4
85.06562	0.9
91.05476	2.4
93.07052	3.9
94.04160	1.0
95.04967	2.1
95.08617	2.4
97.02866	0.9
99.08114	0.5
105.07040	3.1
107.04922	1.0
107.08572	2.2
108.02082	0.8
109.02884	0.7
109.06505	4.0
109.10181	1.2
109.17307	0.5
111.08082	3.3
111.54517	0.5
115.05435	0.5
117.07025	2.1
117.83183	0.6
119.04967	1.0
119.07830	0.6
119.08618	2.3
120.08094	0.6
121.06512	2.4
121.10105	1.5
122.03601	1.4
123.04533	0.9
123.08063	2.0
123.11703	0.6
124.44866	0.5
129.07002	2.1
131.08572	2.7
133.06497	1.0
133.10159	2.0
135.08070	3.0
135.11684	0.7
137.05978	3.8
139.07512	1.0
141.05473	0.9
141.06998	1.1
142.07744	0.9
143.08551	2.1
145.06506	1.7
145.10127	1.6
147.04391	0.7
147.08070	3.2
147.11682	0.9
149.05995	1.2
149.09624	1.2
150.20564	0.6
151.03911	100.0
151.07542	2.6
152.04260	1.8
153.05548	0.7
155.07040	1.5
155.08574	1.1
157.06512	2.0
157.10149	2.1
158.07185	0.8
159.08046	4.2
159.11606	1.1
161.09633	2.0
163.07571	0.9
163.11235	1.1
165.05479	58.3
165.09163	1.5
167.05559	1.0
167.06992	0.7
169.10172	0.9
171.08044	0.6
171.11670	0.8
172.08795	0.6
173.06010	1.0
173.09630	2.8
174.10355	1.0
175.07584	4.2
175.11160	1.0
176.08302	0.6
177.09148	1.0
179.10687	1.8
183.11667	0.8
184.81853	0.7
185.09590	1.0
185.13159	0.6
187.07602	0.8
187.11203	1.3
188.08304	0.6
189.09128	3.2
190.09816	0.7
191.10634	0.8
193.10226	0.6
193.12248	1.4
195.11693	0.9
197.09581	1.4
199.11287	1.3
201.12709	0.7
203.10649	1.9
205.12234	2.1
209.11674	1.8
211.11174	0.9
213.09039	0.9
213.12752	0.8
215.10747	0.8
217.08655	1.7
221.11693	0.7
225.12718	0.9
231.10173	1.7
235.09648	56.3
236.10042	2.2
237.12845	1.1
239.14445	0.7
249.11208	31.0
251.14281	0.8
259.13257	1.1
265.12326	0.7
267.00076	0.7
267.13803	1.6
299.06128	2.3
300.13300	0.7
309.18243	0.8
312.13596	0.8
343.62213	0.7
344.97684	0.8
353.27075	0.7
373.16443	33.8
374.16867	2.0
377.21201	1.2
393.20154	0.9
397.23886	0.8
405.20486	1.0
407.22614	0.9
413.19470	1.1
425.23065	3.2
429.22568	0.9
433.20129	1.6
435.21753	1.0
439.21100	1.9
441.26602	0.9
442.26016	0.7
451.21005	3.2
453.22424	2.8
457.21622	0.8
463.20712	0.8
469.22220	7.0
471.23727	1.4
481.22018	3.2
494.60852	0.6
499.23361	6.5
500.23331	0.8
517.24609	3.6
517.31592	0.7
535.25861	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2327
Annotation	Kadsuphilol D
Peak:m/z	Relative Intensity
62.15722	1.4
71.32371	2.0
73.04768	1.7
76.32454	1.3
81.07105	1.3
103.05454	4.5
105.03415	1.4
105.07056	1.9
131.04935	6.5
139.35237	1.4
167.05583	2.4
192.11227	1.4
245.78348	1.5
252.64320	1.4
255.34831	1.4
283.03058	2.0
299.06161	7.1
315.49557	1.6
362.10052	1.4
365.68823	1.4
367.18890	9.8
394.72916	1.5
473.26617	2.5
491.27887	4.4
517.21771	6.5
535.26617	100.0
536.26862	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2453
Annotation	Asukamycin E
Peak:m/z	Relative Intensity
69.04878	5.3
73.04748	1.8
81.07060	1.5
81.76321	0.6
82.76739	0.7
86.09673	0.8
91.05767	1.8
103.50652	0.6
106.53593	0.6
122.99777	0.6
137.05978	1.7
149.04512	0.9
163.45590	0.6
167.05598	4.1
184.07295	1.9
191.00772	0.6
225.04205	1.0
239.09442	1.2
251.12431	0.7
299.06128	7.6
329.65115	0.6
344.97656	1.1
415.03775	1.1
426.01465	0.8
517.25073	1.3
535.24615	100.0
536.24957	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.246
Annotation	Asukamycin E
Peak:m/z	Relative Intensity
61.43443	0.3
65.76775	0.3
69.17423	2.6
80.66578	0.4
87.46625	0.3
95.54997	0.4
97.92231	0.3
120.07588	0.3
167.05533	0.5
199.47740	0.4
208.08159	0.3
299.06113	1.1
367.18826	4.9
397.19977	1.0
473.25098	2.3
485.94937	0.4
489.26218	0.4
491.27826	2.9
492.27921	0.6
517.24878	1.4
535.25220	100.0
536.25513	9.4
549.87787	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86132	0.7
51.42583	0.5
53.84486	0.6
55.87468	0.6
57.05697	0.6
67.05489	1.1
69.26418	4.4
73.04763	1.0
73.36843	0.6
84.22029	0.6
86.52310	0.5
91.05815	0.9
93.07054	0.7
95.04967	0.6
95.08595	0.7
105.07014	1.0
131.08534	0.7
143.08566	1.1
167.05518	1.5
172.94893	0.6
283.02765	0.7
299.06259	2.9
311.09473	0.7
465.25662	1.0
473.24792	8.3
474.25085	0.8
491.26608	2.6
499.25262	0.7
517.24304	2.7
535.24799	100.0
536.25085	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	1.3
71.29359	1.2
73.04747	0.7
74.46980	0.5
74.94757	0.6
81.07068	1.1
83.04990	0.7
91.29720	0.6
92.84448	0.5
96.93196	0.6
104.10758	0.7
105.03363	0.8
109.10086	0.6
155.08598	0.7
159.11678	0.7
167.05559	1.5
183.86786	0.6
184.07399	1.2
240.07706	0.6
247.26790	0.6
299.06247	1.7
455.25818	0.8
459.25385	1.9
473.26291	2.2
474.27322	1.2
491.27640	3.5
499.24167	1.0
503.23608	0.9
517.24402	5.9
518.24573	1.2
535.25562	100.0
536.25787	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.01862	1.2
55.05505	2.2
56.52259	0.5
67.05508	3.7
69.03430	100.0
69.07076	1.2
69.11082	3.4
69.11501	1.0
70.03764	2.5
71.04971	0.5
79.05504	4.1
81.03419	0.7
81.07047	4.1
83.04987	1.4
83.08587	0.8
85.06554	0.9
87.00817	0.5
87.04469	3.0
91.05480	6.1
92.57024	0.5
93.07040	7.7
95.04980	3.2
95.08612	12.1
97.06540	1.7
99.04446	0.9
103.05444	0.6
105.07016	6.2
107.04968	2.2
107.08590	4.6
109.06499	5.5
111.08075	5.8
113.06056	0.6
115.03926	2.6
115.05478	1.0
117.07024	3.0
119.04945	0.6
119.08575	3.9
121.06490	4.2
121.10155	3.6
123.04440	0.7
123.08077	8.3
125.09657	0.9
128.06213	2.7
129.06992	4.2
130.07733	0.7
131.04936	0.7
131.08571	5.3
132.17242	0.5
133.06487	2.3
133.10149	2.0
135.08076	2.6
137.05995	1.4
139.07539	82.8
140.07906	4.3
141.06987	2.9
141.07999	1.1
142.07793	1.3
143.08612	4.6
144.05687	0.7
145.06491	3.9
145.10112	3.6
147.08020	4.1
147.11618	0.7
149.06018	2.0
149.09602	3.6
151.07527	3.3
153.05542	0.7
153.07005	1.9
153.09238	0.6
154.07828	1.2
155.08559	6.8
156.09334	1.0
157.06497	2.1
157.10190	2.0
159.08032	4.4
159.11710	1.2
161.05901	1.2
161.09673	2.3
163.07553	1.6
165.07011	2.5
165.09140	2.4
166.07764	1.0
167.07069	2.3
167.08580	2.9
167.10654	1.2
168.09398	0.5
169.06468	1.4
169.10118	4.8
171.08051	6.9
171.11684	1.5
172.08807	0.7
173.06007	0.6
173.09601	5.9
175.07608	2.1
175.11223	1.2
177.09152	3.4
178.07803	1.9
179.08534	3.1
180.09311	1.1
181.06506	1.6
181.08713	0.9
181.10149	4.2
182.07303	0.9
183.08060	3.0
183.11713	2.0
185.05919	0.7
185.09621	3.4
187.07581	1.6
187.11208	2.2
189.09164	1.5
191.07072	0.7
191.08614	1.6
191.10561	0.9
192.09319	1.0
193.08565	1.9
193.10184	5.6
194.07123	0.6
194.10902	1.3
195.06540	1.3
195.08107	3.9
195.09972	1.0
195.11722	2.8
196.08847	0.5
196.12421	0.7
197.09616	4.1
197.13362	0.7
198.10182	0.7
199.07494	0.9
199.11185	2.4
201.09122	2.2
201.12724	1.0
202.07771	0.9
203.08678	1.3
203.10600	1.3
204.09335	1.3
205.10159	3.4
205.12155	0.9
206.07185	0.5
206.10892	2.1
207.08235	1.1
207.11635	2.2
208.08852	1.7
209.09653	4.8
209.13269	1.9
210.10373	1.1
210.14124	0.7
211.07564	1.3
211.11182	3.7
211.14980	0.5
213.09163	1.5
213.12848	1.7
215.08638	1.4
215.10553	1.3
216.09424	1.1
217.10167	1.9
217.12186	1.0
218.10962	1.1
219.08136	1.2
219.11818	4.4
220.08873	0.8
220.12505	1.7
221.09677	2.5
221.13406	2.7
222.10422	2.1
223.07669	1.5
223.11153	4.2
223.14789	0.6
225.09094	1.4
225.12825	2.3
227.10718	1.9
227.14276	1.0
228.09317	0.9
229.10236	1.3
229.12267	1.5
230.10922	2.5
231.08081	1.0
231.11728	2.2
232.08896	1.2
232.12526	1.2
233.09560	1.9
233.13461	0.9
234.10336	1.2
235.11389	2.9
235.14856	2.2
236.11877	1.4
237.09039	1.1
237.12781	5.6
239.10744	1.1
239.14339	1.8
241.12187	2.6
242.11015	1.1
243.11781	1.0
244.12379	1.3
245.09639	1.4
245.13399	4.4
246.13933	0.9
247.11195	4.1
247.14934	1.2
248.11952	2.2
249.12840	2.1
251.10703	2.2
251.14503	0.7
253.12292	1.6
253.15800	1.2
255.13983	1.3
256.12357	0.8
258.10400	1.2
259.11182	1.4
259.14905	1.0
261.12753	2.2
261.16434	1.1
262.13327	0.8
263.10663	1.7
263.14313	6.9
264.11548	0.8
264.14804	1.3
265.12289	5.9
265.15784	1.8
266.12894	0.7
267.13861	1.8
269.13522	1.0
270.14124	0.7
271.15051	0.7
273.12769	6.2
273.15521	0.8
274.13403	1.1
275.10690	0.7
275.14407	1.3
276.11499	0.6
277.15994	0.9
279.13870	1.8
279.17413	1.5
281.11948	1.3
281.15341	3.6
283.12997	4.0
285.12552	0.9
287.14471	2.8
289.12402	1.1
289.15829	2.3
291.13782	8.4
292.14398	0.8
293.11801	0.7
293.15167	0.7
299.06506	0.8
301.15964	0.7
303.17316	0.8
305.11917	0.7
305.15411	2.4
307.13345	1.6
307.16995	3.6
309.14941	8.0
310.15222	0.7
311.13022	0.8
311.17953	1.0
315.13687	1.9
315.17175	1.0
317.15228	0.9
323.16556	1.0
325.14386	1.6
325.18027	2.4
327.15442	1.9
329.15311	1.5
329.19116	2.0
331.17014	1.9
333.14844	4.0
333.18332	1.1
339.17282	1.9
343.16794	1.0
347.16443	1.0
347.20157	2.4
349.17990	2.0
351.15912	5.8
351.19528	1.0
357.18475	5.1
359.15927	0.8
361.17938	1.2
365.21194	0.8
369.16974	5.9
371.20200	0.9
373.21768	0.7
375.19574	7.8
376.20215	0.7
377.17407	2.1
377.21545	1.0
381.17853	0.7
383.18750	0.8
385.17798	4.5
387.18085	4.5
391.18814	0.7
393.20615	8.1
395.18607	2.5
399.19547	2.8
401.21204	1.8
403.19043	17.4
404.18842	2.5
405.18002	4.4
411.21744	2.3
413.19489	1.3
417.20547	3.8
419.22223	2.2
421.20093	51.1
422.20468	3.0
423.17599	0.7
427.19235	1.8
435.21558	4.2
437.23868	3.7
439.21103	39.9
440.21286	2.8
445.20203	5.1
453.22641	2.5
455.24289	2.1
457.22153	15.6
458.22495	1.3
463.21158	12.6
464.21613	1.4
471.24191	0.9
473.26016	1.0
475.23303	16.9
476.23575	1.9
481.22208	21.3
482.22546	1.9
499.23242	13.6
500.23459	0.9
517.25006	2.2
535.26770	28.7
536.26642	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01877	3.7
55.05511	4.1
57.03438	2.5
64.22352	0.7
65.03928	1.0
67.05502	5.3
69.03425	8.5
69.07072	2.6
70.57087	1.5
70.57425	0.8
71.04990	1.8
73.02906	1.6
73.04741	1.2
79.05479	4.7
81.03405	1.4
81.07056	9.2
83.04980	6.3
83.08624	1.9
85.02908	4.8
85.57272	0.8
91.05444	8.0
93.07046	6.2
95.04963	5.9
95.08601	7.7
97.02921	2.3
97.06522	4.3
98.22778	0.9
99.04467	3.2
100.11240	2.2
103.05480	1.2
105.07037	11.8
107.04968	1.9
107.08602	7.1
108.08867	0.8
109.06509	9.6
109.10154	1.9
111.04465	2.2
111.08083	4.4
115.03908	0.9
115.05499	1.7
117.07029	7.0
119.04948	1.1
119.08586	9.7
121.06499	4.9
121.10085	3.5
123.04447	2.2
123.08063	10.1
125.06033	0.7
125.09661	1.6
127.03941	1.9
127.07607	0.9
128.06241	2.7
129.07040	4.4
131.04880	1.5
131.08563	11.6
133.04941	1.1
133.06488	5.3
133.10141	6.5
135.08049	5.7
135.11671	0.8
137.05972	22.9
137.09625	2.7
139.07571	3.1
141.06987	1.6
142.07779	4.7
143.08546	8.5
144.09349	2.1
145.06514	2.8
145.10129	8.1
146.07263	1.4
147.08070	5.4
147.11728	2.8
149.06020	2.0
149.09627	4.8
151.03917	2.0
151.07553	8.5
153.06981	1.1
155.08569	5.6
156.09338	1.1
157.10152	8.6
158.07246	0.9
158.10892	0.9
159.08063	5.0
159.11688	14.6
160.08803	0.9
161.06007	2.9
161.09631	7.0
161.13243	1.0
162.06647	0.9
163.07570	2.9
163.11208	2.9
165.09123	1.6
167.05586	1.4
167.06996	1.4
167.08485	1.5
168.09308	1.7
169.10121	5.1
171.08096	2.8
171.11674	3.5
172.08835	1.7
173.06094	0.8
173.09642	7.1
173.13297	2.3
174.10161	0.9
175.07594	2.9
175.11172	10.1
177.05560	1.6
177.09135	3.3
177.12762	1.6
179.07057	1.1
179.08647	1.0
179.10556	1.1
181.10130	3.1
182.15411	1.3
183.08095	1.4
183.11667	5.7
184.08934	0.8
185.06070	1.1
185.09598	5.2
185.13205	1.1
186.10309	1.2
187.07600	1.8
187.11186	5.3
189.09096	4.2
189.12794	1.5
191.10715	3.1
193.10190	2.3
194.10919	1.2
195.08130	1.7
195.11732	2.2
197.09642	2.6
197.13301	0.9
199.11133	3.4
199.14886	1.2
200.11896	1.1
201.09160	1.5
201.12744	11.0
203.07097	2.6
203.10617	3.7
203.14360	1.4
205.12155	0.9
207.10004	0.8
207.11836	2.1
207.13782	13.9
209.09828	1.6
209.13322	3.2
209.16434	1.0
210.14952	1.4
211.11174	2.0
211.14996	0.7
213.09175	1.3
213.12820	2.6
215.07040	0.9
215.10645	1.8
217.08554	1.1
217.12202	1.9
219.10080	1.3
219.13759	0.8
221.13327	1.6
223.11320	1.3
223.14841	2.0
225.09200	0.9
225.12791	2.0
227.10658	2.1
227.14285	1.7
229.12213	1.7
231.10129	1.6
233.08031	1.0
233.13327	1.7
235.11264	1.4
235.14917	1.5
237.12817	2.0
239.10687	0.9
239.14256	1.6
241.12320	1.9
245.11693	1.7
248.11925	1.0
249.16505	1.4
251.14429	2.2
253.16034	1.5
255.10371	0.9
255.13710	1.0
257.11655	1.3
258.14081	1.0
259.09705	1.1
261.16385	1.0
267.17499	1.1
269.15375	1.3
271.17014	0.9
277.15942	2.1
279.13986	1.1
287.12943	2.0
291.11893	0.8
291.17523	1.9
293.15421	0.9
295.13528	0.9
295.16898	1.9
297.11188	0.8
297.14752	0.7
299.06268	3.6
305.14581	0.9
307.16953	0.8
309.11282	0.9
309.18689	1.4
319.17044	2.4
333.13272	7.7
333.18564	1.0
335.16693	0.9
337.17981	4.0
339.15964	0.9
341.13934	1.2
344.97397	0.9
347.07492	1.1
351.14404	3.9
351.19659	1.6
357.17844	0.8
365.17432	1.4
379.19119	1.5
383.18579	1.5
389.21320	1.1
391.22525	2.2
393.20499	2.2
395.22397	1.0
407.22559	1.7
409.23743	3.2
411.21762	2.7
417.20813	1.1
419.22174	1.9
421.19977	1.1
427.24847	1.2
431.16791	0.9
435.21628	8.1
437.23483	3.6
439.21054	2.9
453.22748	7.0
454.22940	1.5
455.24268	6.8
457.21622	1.3
463.21185	4.7
471.23706	4.9
471.29596	0.8
481.22177	20.0
482.22418	1.7
499.23267	35.4
500.23682	3.6
517.24323	100.0
518.24512	7.7
534.43854	2.2
535.25586	1.9
535.43500	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.1
55.05503	11.0
64.46641	2.6
65.03936	2.8
65.64384	2.5
67.05497	5.7
69.03431	36.9
69.07055	8.9
71.04990	3.6
73.04748	5.9
79.05483	8.6
81.07070	12.9
83.05001	3.9
83.08630	2.8
85.02905	2.6
91.05460	10.6
91.05899	4.2
93.07065	10.9
95.04967	6.9
95.08611	15.4
97.02923	3.0
97.06551	5.3
97.10171	3.5
105.07029	17.8
107.04931	4.3
107.08605	14.1
109.02898	3.0
109.06524	14.6
109.10199	4.0
111.04462	5.4
111.08082	6.2
115.05422	3.9
117.07003	4.9
119.04958	6.1
119.08549	14.1
120.01297	2.5
121.06545	13.4
121.10145	9.3
123.04478	2.7
123.07258	2.3
123.08056	14.4
125.05994	3.7
125.09626	3.0
125.66114	2.8
128.06174	2.5
129.06989	4.3
131.04915	5.9
131.08545	7.6
133.06511	7.4
133.10139	11.4
135.04393	2.9
135.08055	18.9
135.11656	3.2
137.05968	30.7
139.07507	7.7
141.07028	2.6
142.07793	3.3
143.08577	9.5
145.06516	6.7
145.10162	10.9
147.04428	4.2
147.08028	9.2
147.11652	4.9
149.05965	5.0
149.09627	8.7
151.03951	6.6
151.07574	8.8
155.08578	6.2
157.10146	10.5
159.08072	11.1
159.11726	5.6
161.06001	8.1
161.09593	12.5
163.07558	11.7
163.11221	4.9
165.05643	2.7
167.05573	12.0
167.06941	4.9
167.08447	3.4
168.09373	4.8
169.10161	5.9
171.07968	4.8
171.11687	6.9
173.06064	2.5
173.09619	15.2
173.13216	2.5
174.10231	2.9
175.07536	10.0
175.11197	9.9
177.09123	6.7
179.07022	2.8
181.10063	3.3
183.08076	4.5
183.11716	4.8
185.09602	8.2
187.07533	3.9
187.11145	8.7
189.09047	11.6
189.12712	3.8
191.10710	4.9
193.10289	3.4
193.12000	2.8
194.10890	3.9
195.11656	5.7
197.09563	5.3
197.13298	3.3
199.07530	4.2
199.11200	7.5
200.41617	2.7
201.09181	7.5
201.12755	5.3
203.10690	7.2
204.09328	2.9
205.12343	3.3
207.10100	5.1
207.11867	3.6
209.09702	6.6
209.13364	4.6
211.11226	8.5
213.09155	3.5
213.12794	4.5
215.10713	8.1
217.08531	3.2
217.12421	2.7
219.13708	2.6
223.11209	9.3
225.09172	3.4
225.12791	4.1
227.10727	6.2
229.12227	5.2
233.11606	5.5
237.09261	2.7
239.10686	6.0
241.12329	4.0
245.11734	2.7
251.14291	5.1
253.15984	3.4
257.11737	3.6
265.08612	3.3
269.11792	3.6
281.11670	3.5
281.15173	2.9
283.03055	3.7
283.09610	3.8
293.08206	3.3
293.15167	2.9
295.16846	3.1
297.14819	4.0
299.06165	19.3
303.17206	2.8
315.12274	2.7
315.16064	4.4
323.12894	3.6
325.10764	4.0
337.17886	4.1
344.97708	5.3
367.19052	10.9
369.20862	3.7
374.36041	2.6
383.18292	6.3
385.20041	6.5
393.20648	3.3
395.18579	9.8
397.20020	6.7
407.22293	3.9
410.20401	3.2
413.19736	13.6
415.03729	3.4
423.17947	3.3
431.20795	22.8
435.21738	5.8
439.21399	7.4
441.18985	5.5
443.20746	13.0
449.22302	3.4
453.22855	25.5
457.22485	4.1
463.20926	8.3
471.23532	11.7
473.26282	4.4
481.22205	28.6
491.27652	3.9
499.23318	48.6
517.24390	70.9
518.24725	4.7
535.19513	7.0
535.26477	100.0
536.26843	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35247	8.1
65.03908	9.1
67.05505	11.6
69.03431	47.0
69.06132	75.2
73.04764	19.4
79.05504	19.1
80.55988	7.9
81.07053	26.2
84.47277	8.5
91.05402	14.1
91.05874	15.8
93.07054	30.0
95.04987	16.7
95.08606	15.9
103.05497	9.7
105.07031	29.9
107.04947	9.0
107.08611	19.6
108.57632	8.0
109.06523	41.6
111.08069	24.4
117.07024	13.3
119.04990	15.4
119.08586	23.2
121.06521	13.3
123.08089	22.1
131.08549	17.2
133.06511	14.2
133.10155	13.4
135.08049	21.7
137.05994	82.7
139.07558	26.0
141.07051	8.9
143.08609	16.6
144.07130	7.8
145.06439	13.0
145.10126	18.9
147.04419	16.3
147.08064	21.4
147.11771	10.8
147.67946	7.5
149.09651	9.2
151.03896	14.0
151.07639	13.7
155.08554	8.1
157.10146	12.6
159.08096	11.6
159.11749	11.5
161.05988	21.1
161.09621	27.9
163.07541	12.7
167.05533	48.1
167.06888	10.1
169.10225	11.4
171.11636	8.8
173.09630	16.0
175.07556	37.7
175.11110	12.5
177.09134	11.5
179.07022	12.7
179.08459	10.1
183.08049	10.0
187.11159	17.3
189.09145	19.7
189.12830	14.5
191.07048	8.2
197.09680	10.4
201.09009	10.3
201.12689	12.0
211.11171	8.2
215.10681	13.3
237.12764	9.1
265.08743	10.6
265.11963	9.8
266.99786	17.3
267.13892	8.8
283.03033	13.5
299.06213	100.0
335.09659	11.1
344.97571	22.0
367.18637	9.1
373.19852	24.0
393.20767	16.0
403.19296	13.1
404.19229	9.8
412.22128	10.9
413.19574	20.0
415.03995	11.0
421.20294	22.4
422.20264	15.5
423.21829	12.4
425.23212	25.4
429.22635	7.9
433.20078	16.0
435.21606	9.8
439.21146	37.5
440.21555	10.8
451.21173	51.7
453.22894	27.2
455.23798	11.5
457.22446	14.8
463.21078	19.6
469.22235	98.8
470.21936	18.5
475.23282	11.0
481.22067	26.9
482.22269	10.2
499.23297	49.3
517.24341	30.8
535.19409	24.7
535.25861	34.2
535.32935	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35800	1.7
53.03946	4.2
55.01872	7.7
55.05515	18.2
57.03438	3.1
61.96244	1.8
65.03936	2.4
67.05510	7.9
69.03433	13.1
69.05027	11.5
69.05444	5.3
69.07076	17.6
71.05000	4.0
73.04742	3.2
79.05509	5.8
80.51489	1.8
81.07068	12.3
81.74957	1.7
83.01360	2.3
83.04986	4.1
83.08620	15.2
91.05439	14.8
93.07049	15.8
95.04976	6.8
95.08618	12.8
97.02859	3.1
97.06543	5.3
99.04457	6.1
101.31517	2.4
103.05489	2.8
105.07018	13.6
107.04950	3.5
107.08607	13.3
109.06509	23.0
109.10178	4.9
111.04469	3.4
111.08086	41.5
115.05435	2.6
117.07042	5.2
119.04950	2.9
119.08592	15.3
121.06515	12.0
121.10146	7.1
123.04430	8.3
123.08083	17.4
125.09670	3.1
126.61954	1.9
128.06219	2.9
129.07016	4.5
131.08582	12.1
133.06496	3.8
133.10153	14.6
135.08069	16.5
135.11714	4.4
137.05978	20.9
137.09619	4.5
139.07565	17.1
141.06970	2.3
142.07800	3.6
143.08559	10.4
144.09331	2.5
145.06525	5.0
145.10130	11.6
147.08055	10.8
147.11670	6.8
149.05988	5.4
149.09628	11.2
151.03923	21.4
151.07559	6.6
155.08571	6.3
156.09422	2.8
157.10106	11.2
159.08060	11.8
159.11734	12.0
161.06056	4.4
161.09616	18.0
163.07535	8.1
163.11180	5.4
165.09111	3.4
167.05553	6.7
167.06989	2.8
167.08621	2.0
168.09357	2.9
169.10127	6.1
171.08086	3.3
171.11719	7.8
173.06036	2.5
173.09660	17.2
173.13213	3.5
175.07619	6.8
175.11217	8.3
177.09126	12.1
177.12761	3.9
179.07083	2.9
179.08560	2.2
181.10143	3.5
182.07187	2.1
183.11699	5.1
185.09622	6.0
185.13232	3.3
187.07567	5.0
187.11235	11.9
187.12787	2.3
189.09132	9.0
189.12788	5.2
191.07048	3.0
191.10622	9.5
193.10127	2.6
194.10713	3.1
195.11673	4.3
197.09616	4.7
199.11205	7.6
201.09131	7.8
201.12733	5.9
203.10661	10.5
205.08549	8.0
205.12227	8.2
207.10088	2.4
209.09648	3.0
209.13385	3.2
211.11386	4.3
211.14888	2.5
213.12671	2.9
215.10722	6.5
217.08577	2.6
217.12228	9.9
219.10147	6.7
221.13255	3.4
223.11206	2.6
225.12831	4.7
227.10600	5.4
227.14313	4.3
229.12239	10.8
231.10197	3.6
233.11725	5.3
237.12895	2.4
239.10803	2.5
239.14330	3.0
243.10176	4.7
243.13814	5.7
245.11757	7.6
245.15382	7.4
247.09578	3.8
251.10753	3.1
253.16017	2.5
255.13799	3.7
257.11731	2.6
259.13092	4.5
265.12375	2.9
267.13782	2.9
267.17447	3.2
269.11612	2.5
269.15311	3.4
273.14844	3.5
281.15176	2.9
285.11060	2.8
287.12820	5.9
287.16544	2.2
289.14496	4.3
295.16959	4.9
297.14703	4.0
299.06308	9.4
303.12418	6.2
317.13864	5.0
317.17465	4.6
325.18149	2.1
327.16013	4.0
331.11911	2.5
337.17908	4.8
341.17432	2.5
343.15457	6.5
351.19473	2.9
355.19150	2.7
365.17392	2.6
367.22751	2.9
369.20377	3.1
371.14874	4.6
383.18265	4.9
389.15784	2.7
393.20636	4.1
395.22278	4.8
405.20691	2.4
407.22375	2.9
409.23639	5.8
411.21552	3.8
419.22424	2.6
421.20145	3.3
425.23587	3.5
427.24741	3.9
429.23227	3.2
435.21603	5.8
437.23166	8.4
439.21130	7.1
443.20273	3.2
451.21140	2.8
453.22754	9.2
455.24283	26.3
457.22302	3.6
463.21115	6.1
469.21991	9.0
471.23895	11.8
473.25284	9.9
475.23462	4.6
481.22311	17.9
499.23267	100.0
500.23700	9.7
515.45038	2.1
517.24359	79.5
518.24792	9.1
535.25604	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05478	1.3
69.07054	1.1
69.46135	2.0
69.46532	4.2
76.94156	0.8
81.07055	1.0
105.03375	1.9
108.43381	0.8
109.10125	0.9
133.06398	0.9
167.05525	1.2
192.51656	0.9
269.15350	0.9
299.06287	2.5
316.18774	1.0
337.17468	0.9
338.22107	1.4
405.27621	1.2
407.25586	17.2
408.25989	2.0
421.27097	7.2
431.25711	1.2
447.24945	11.9
448.25552	1.8
449.26526	14.6
461.26334	1.2
463.27948	5.0
473.26440	3.6
486.01208	0.9
491.27664	100.0
492.27811	8.2
507.27182	13.1
517.29401	1.3
535.25922	31.5
536.25421	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2669
Annotation	longirostrerone D
Peak:m/z	Relative Intensity
51.67215	0.2
55.05506	0.2
60.08165	0.2
67.05505	0.3
71.30723	0.3
71.31077	0.3
73.04755	0.4
79.05487	0.4
81.03436	0.3
81.07061	0.5
86.09719	0.3
91.05464	0.3
93.07043	0.5
95.04971	0.2
95.08587	0.6
104.10780	0.9
105.07037	0.4
105.11082	0.3
109.10161	0.4
118.94006	0.2
133.02605	0.3
133.10124	0.3
141.70992	0.2
149.13210	0.2
167.05554	0.3
184.07333	0.8
251.12581	0.6
252.70609	0.2
267.13464	0.3
299.06143	0.8
307.15201	0.5
309.15237	0.3
331.65933	0.2
344.97760	0.3
365.17245	4.4
383.17990	0.3
403.22540	0.3
437.24469	0.9
455.25595	2.8
461.26498	0.5
473.26648	9.2
474.27097	1.1
489.26123	0.4
491.27682	2.7
499.24414	2.3
517.25562	6.6
517.32733	0.5
518.25934	0.6
535.26697	100.0
536.27039	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2667
Annotation	Antimycin A8a
Peak:m/z	Relative Intensity
69.10506	2.3
69.11136	0.3
77.10450	0.3
88.12000	0.3
92.18287	0.3
100.35754	0.3
119.12937	0.3
182.58817	0.4
189.02539	0.3
245.39821	0.3
269.15146	0.3
293.92401	0.3
316.96658	0.3
337.17953	0.4
367.18814	8.0
368.18860	0.5
379.18716	0.3
397.19977	1.4
455.25803	0.7
473.26547	2.3
491.27734	3.7
517.25659	2.3
535.26508	100.0
536.26880	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10963	4.8
73.76685	0.5
76.75135	0.5
105.07077	0.6
313.07135	0.9
367.18723	7.1
445.27219	1.9
455.25894	1.1
473.26675	7.8
474.27133	1.1
491.27612	12.5
499.24771	1.2
517.25513	1.7
535.26349	100.0
536.26648	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.7
63.07978	0.8
67.05508	1.9
69.07089	1.1
69.27423	5.6
69.97308	0.6
73.04775	1.8
75.04902	0.6
79.05508	1.2
81.07086	2.2
83.05006	0.9
91.05817	1.0
93.07089	1.3
95.08653	1.0
103.88298	0.7
105.03426	1.9
107.04984	1.0
107.08592	1.1
109.10223	0.9
133.02679	2.2
133.06540	0.8
167.05612	2.3
184.07431	1.2
269.15283	1.6
283.03275	1.1
299.05930	4.4
322.19165	1.9
335.20041	1.6
336.20648	1.4
337.17715	1.0
344.97632	0.9
351.19476	2.2
365.17862	1.2
379.19077	3.2
403.23099	1.0
413.24808	1.5
415.03351	0.8
427.26315	1.0
432.23224	1.0
441.24146	1.6
443.25616	1.3
445.28168	0.9
455.26025	2.2
456.26486	2.3
457.27295	3.3
459.25275	3.1
471.24954	1.3
473.26682	4.0
474.27502	2.1
489.26120	9.9
490.27075	3.2
491.27573	9.8
501.26389	2.0
502.26807	0.9
503.23990	4.5
517.25739	5.1
518.26270	7.8
535.26416	100.0
536.26660	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49744	0.6
60.34065	0.6
61.06815	0.7
67.05493	0.8
79.04029	0.7
98.23409	1.3
107.34989	0.6
133.02603	7.1
161.05702	1.6
199.07422	0.6
229.62605	0.6
229.64607	0.7
230.09233	1.0
269.15137	12.3
270.15384	0.8
283.16602	5.2
322.19067	1.3
335.19724	1.7
337.17712	4.1
351.19232	1.2
352.20157	0.8
367.18689	0.9
389.20938	2.0
393.20242	1.3
413.20297	1.6
413.25076	1.5
415.22208	3.2
417.20288	1.4
427.26013	0.9
428.27078	1.6
431.25891	2.0
432.22678	9.2
433.23306	1.3
441.23935	2.3
445.20972	0.8
445.27148	4.7
446.27917	5.5
455.25531	1.4
456.26337	0.9
457.27267	5.0
459.25253	4.6
459.54956	0.8
460.22134	2.4
471.25037	0.8
473.26639	12.0
474.21191	1.0
474.27319	7.4
478.26999	2.0
490.26880	31.6
491.27106	3.9
501.26059	6.3
502.26746	1.2
506.26282	1.9
517.25354	5.6
518.26343	41.0
519.26697	4.1
535.25409	100.0
536.25842	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.8
61.75984	0.3
67.05515	0.6
69.07073	0.8
69.61232	1.7
73.33604	0.3
79.05496	0.4
81.07067	0.7
81.36202	0.3
83.05002	0.9
91.05500	1.1
93.05763	0.3
93.07062	1.1
95.08624	1.3
96.08955	0.5
105.07047	0.8
106.07349	0.5
107.08601	1.3
108.08986	0.5
109.10186	0.4
111.04453	0.7
117.07050	0.4
119.08605	1.0
120.08932	0.8
120.88336	0.3
121.10140	0.5
129.07030	0.4
131.08571	0.7
133.02562	0.6
133.10138	0.8
134.10483	0.4
141.61342	0.3
143.08600	0.6
145.10133	0.6
146.10490	0.7
154.02242	0.5
155.08711	0.5
157.10176	0.4
158.10457	0.5
159.11720	0.6
160.12065	0.7
167.05606	0.5
172.11931	0.5
185.13191	0.4
186.13640	0.4
198.27078	0.4
214.17009	0.4
266.16327	0.5
267.13718	0.5
270.70178	0.3
299.06314	1.1
384.28909	0.5
405.24017	22.4
406.24371	1.3
410.27707	0.6
412.28528	0.8
419.25528	0.6
429.24161	1.7
443.25925	0.5
445.27243	0.7
447.25104	16.7
448.25443	1.1
455.25623	2.5
473.26740	5.9
475.24893	0.6
491.27490	2.3
517.25421	3.3
518.26270	0.5
535.26459	100.0
536.26862	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2674
Annotation	Antimycin A8a
Peak:m/z	Relative Intensity
55.05494	0.4
58.35817	0.4
69.03424	1.0
70.12895	0.9
70.13247	1.2
73.04757	1.2
79.05492	0.8
83.08583	0.5
91.05806	1.4
93.07027	0.7
95.04974	0.8
95.08605	0.8
99.70698	0.4
105.07044	1.0
107.08617	0.7
108.85551	0.4
109.06519	1.1
117.07032	0.6
119.08591	0.6
119.56807	0.4
121.06516	0.7
123.08076	0.5
131.04945	0.6
131.06230	0.4
131.08557	0.6
135.08102	0.4
137.06010	2.7
143.08592	0.7
145.10216	0.7
149.02136	0.4
149.04614	0.7
149.05945	0.4
151.03893	0.6
159.08008	0.5
159.11812	0.6
167.05602	2.0
167.06882	0.5
175.10925	0.4
187.11133	0.4
217.10187	0.4
218.52626	0.4
223.40984	0.4
266.99820	0.5
279.14236	0.4
283.02994	0.7
299.06180	4.2
321.65158	0.4
327.17532	0.4
344.97681	0.8
365.17389	1.3
373.19980	0.7
383.18356	3.2
415.03708	0.6
437.24503	0.7
455.25455	1.5
473.26776	1.7
481.22226	3.0
499.23712	4.9
500.24515	0.7
503.11008	0.8
517.25354	9.0
518.25751	0.7
535.26605	100.0
536.26965	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.267
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08165	1.5
62.44111	0.4
67.05499	0.8
68.85637	0.4
69.03450	0.5
69.35110	3.1
73.04757	0.7
81.07072	1.3
82.03313	0.5
83.05002	0.6
85.02914	0.5
86.09703	5.0
87.10047	1.6
93.07056	1.2
95.08611	0.6
98.98457	0.8
103.10733	0.5
104.10730	0.7
105.07022	0.8
105.35320	0.5
119.08591	0.6
124.99995	5.7
126.00394	0.6
167.05605	1.2
184.07339	17.6
184.08922	1.0
185.07674	4.8
189.62068	0.4
207.83765	0.4
213.90843	0.4
224.43257	0.4
234.10655	0.5
267.13797	0.7
299.03235	0.5
299.06137	2.9
331.03912	0.5
365.17136	1.2
383.18396	1.2
407.21930	0.9
433.24426	0.5
455.25385	2.3
473.26813	3.2
477.22308	1.0
491.27109	4.5
493.45459	0.6
499.24686	3.2
517.25598	10.9
517.32965	1.3
518.25909	1.4
535.26666	100.0
536.27039	10.3
536.34839	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2665
Annotation	Pyropheophorbide a
Peak:m/z	Relative Intensity
55.05492	0.4
57.03439	0.4
67.05517	0.7
69.01428	0.4
69.03436	0.4
70.50892	0.5
70.51225	0.9
70.58089	0.4
73.02925	0.6
79.05509	0.8
81.07065	1.4
83.04998	0.6
85.02908	0.6
93.07053	1.4
95.08620	1.7
96.08962	0.4
97.02911	0.6
100.40527	0.4
105.07079	0.6
107.08630	1.2
108.08883	0.3
109.10207	0.6
111.04432	0.4
121.10146	0.8
123.11720	1.3
133.04976	0.7
135.11723	0.5
136.12051	0.7
145.04974	0.7
149.13245	3.8
150.13617	2.8
157.06577	0.5
167.05579	0.5
184.07430	1.1
190.30162	0.4
205.19571	1.3
206.19923	1.6
267.13644	0.6
299.06061	0.9
365.17294	2.4
381.16745	1.3
383.18216	0.6
437.24713	0.5
455.25543	2.6
461.27045	0.6
473.26657	6.3
474.27536	0.8
491.27826	2.1
499.24875	1.2
517.25641	7.7
518.25970	1.0
535.26715	100.0
536.27075	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
57.03436	0.7
58.47344	0.2
67.05511	0.7
67.46278	0.2
69.07068	0.4
69.33897	1.2
71.05017	0.3
73.04750	0.3
77.13335	0.2
79.05484	1.1
81.03420	1.4
81.07059	1.1
83.04981	0.5
83.08633	0.7
83.22577	0.2
85.02901	1.6
91.05501	1.4
93.07040	1.0
95.04973	0.6
95.08622	0.7
97.06573	0.3
105.07040	1.0
105.11044	0.2
107.04971	0.4
107.08597	0.3
109.06520	0.3
109.16016	0.3
111.08079	0.3
113.05965	0.2
119.08562	0.9
121.10179	0.5
129.07010	0.4
131.04945	0.2
131.08621	0.7
133.02681	0.4
133.06483	0.3
133.10156	0.5
137.06001	0.7
137.09627	0.2
144.30251	0.2
144.92859	0.2
147.11731	0.6
149.06047	0.5
157.10178	0.5
165.12747	0.2
167.05539	1.0
174.89445	0.2
175.11188	0.3
177.05519	0.2
184.07387	0.6
193.12349	0.6
239.09550	0.2
251.12547	8.1
252.13055	0.2
257.52740	0.2
267.00034	0.2
283.02975	0.3
285.17053	1.0
299.06189	1.5
307.15152	7.3
344.97739	0.5
351.19336	0.5
359.03116	0.2
365.17200	0.3
415.03885	0.3
415.22543	0.7
455.25641	1.2
459.13171	0.2
459.21509	0.8
473.26672	1.5
491.27646	0.7
499.24579	1.5
517.25629	9.2
518.26196	0.6
535.28448	100.0
536.28705	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2876
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
55.05535	0.4
57.03437	0.5
67.05505	0.9
69.14416	2.5
69.14825	1.0
74.99437	0.5
79.05509	0.9
81.03432	0.9
81.07066	1.1
83.04996	0.9
85.02930	1.4
91.05500	1.3
93.07075	1.0
95.04980	0.5
105.07056	0.7
107.08618	0.4
119.08596	1.2
133.02650	0.6
133.10185	0.4
157.10175	0.5
167.05602	0.5
184.07338	0.7
197.34163	0.3
211.13184	0.4
251.12546	7.5
285.17166	0.6
307.15176	6.1
406.77402	0.4
415.22446	0.6
455.25714	1.7
459.21613	1.1
473.26602	2.1
491.27451	0.7
499.24374	1.7
517.25586	11.0
517.32739	0.7
518.26141	1.0
535.28168	100.0
536.28180	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.1
55.05521	21.5
57.03434	3.8
59.05004	3.8
61.76855	3.4
67.05505	9.6
69.03430	50.1
69.07066	5.9
71.04995	7.6
73.04772	8.2
79.05501	9.9
81.03423	5.5
81.07063	24.3
83.04969	8.7
83.39122	3.9
85.05009	3.5
91.05400	22.1
93.07059	23.4
94.82587	3.5
95.04964	10.3
95.08611	25.5
97.06570	5.9
99.04460	13.4
101.06047	19.0
103.05460	7.1
105.07030	35.0
107.04973	6.7
107.08622	13.8
108.26036	4.1
109.06524	18.0
109.10176	9.0
111.08081	11.0
115.05445	9.0
117.07014	11.5
118.42130	3.7
119.04931	4.9
119.08569	27.5
121.06501	9.3
121.10132	8.3
122.03655	5.3
123.08088	15.9
128.06221	7.1
129.07014	16.9
131.04906	5.0
131.08571	23.2
133.06496	5.4
133.10133	20.1
135.08040	11.6
135.11736	7.5
137.05981	57.5
138.06340	3.9
139.07544	54.5
141.07021	5.0
142.07796	12.2
143.08551	22.2
145.06488	8.2
145.10124	27.1
147.11682	13.5
149.09601	8.4
149.13240	4.8
151.03932	10.8
151.07507	9.1
155.08546	5.4
156.09361	7.0
157.10159	27.1
159.08055	11.1
159.11723	17.8
161.05922	5.6
161.09621	13.0
163.07565	9.2
163.11243	6.5
167.05562	12.0
167.07043	13.2
167.10631	4.3
169.10143	24.0
171.08014	8.4
171.11613	19.1
173.06137	4.9
173.09612	14.5
173.13226	8.0
175.07506	6.8
175.11182	30.9
177.09004	5.1
179.08658	5.2
179.10649	5.5
181.10167	7.1
181.12263	8.9
183.11696	14.5
185.09712	5.4
187.07497	9.2
187.11226	12.2
189.05428	5.1
189.09142	5.8
189.12762	17.4
191.10643	5.7
195.11746	11.1
197.13231	5.8
201.12785	5.2
209.11742	17.0
211.11072	4.4
213.12708	6.6
223.13330	14.4
225.12758	6.2
237.16505	7.2
239.13982	4.6
251.10669	4.5
265.15982	5.9
277.08545	6.2
283.03287	5.6
295.20398	4.3
297.11154	8.5
299.06311	34.9
309.11343	4.6
319.09705	5.8
321.10922	4.4
335.09650	5.6
337.10535	8.4
339.12759	4.9
341.13812	18.3
344.97620	8.1
351.12402	5.4
413.26859	41.0
423.25058	17.2
425.26694	6.1
427.28430	5.7
437.13315	5.2
441.20306	7.8
441.26358	100.0
442.26724	8.0
443.27710	6.6
453.26587	27.4
457.21869	6.7
459.27640	8.7
471.27612	41.1
473.28900	10.3
487.17453	5.6
489.27658	4.7
499.26511	19.4
505.18881	4.8
517.24335	73.0
518.25006	7.8
535.25903	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14439	2.3
55.01887	3.1
55.05511	4.2
67.05510	7.1
69.03431	10.3
69.07062	4.0
71.30058	3.3
73.02919	5.1
77.35529	2.2
79.05492	6.2
80.78938	2.1
81.07061	17.7
83.04989	6.0
83.08614	2.3
85.02908	10.1
85.06557	8.3
91.05479	9.8
93.07023	11.4
95.04962	18.2
95.08641	10.6
97.02911	13.0
97.06538	3.8
99.04488	3.1
105.07034	17.7
107.08607	9.9
109.06503	23.3
109.10155	4.0
111.04430	7.3
111.08094	4.0
115.03937	3.9
117.07014	7.5
119.04924	2.1
119.08578	22.4
120.68351	2.3
121.02884	16.1
121.06467	5.9
121.10169	3.4
122.03202	3.6
123.05612	2.5
123.08097	12.2
123.11713	3.0
125.09652	2.4
125.53419	2.3
127.03929	4.3
128.06252	4.1
129.07008	5.6
131.08588	8.7
133.04944	3.3
133.06506	2.9
133.10118	23.3
135.08060	7.6
135.11736	3.5
137.05948	15.4
138.05428	3.7
139.03918	24.0
139.07549	4.7
140.04254	10.0
141.06979	6.2
143.08568	16.3
145.04958	3.6
145.06529	2.2
145.10150	8.6
147.08029	37.9
147.09048	3.5
147.11699	5.1
149.09570	3.6
151.03838	2.9
155.08586	7.4
157.10144	13.7
159.08049	2.4
159.11693	8.0
161.09610	26.0
165.09143	4.1
167.05533	2.5
167.08563	6.5
169.08749	3.4
169.10101	13.4
170.10666	2.3
171.08081	3.7
171.11697	8.7
173.09644	5.3
173.13313	4.0
175.07442	3.4
175.11238	3.5
177.09116	3.6
179.08551	3.1
181.04965	3.4
181.08684	4.0
181.10141	7.3
183.11638	11.5
184.12553	2.4
185.13283	6.2
187.07544	2.8
187.11259	2.9
189.09117	16.3
189.12770	4.0
192.09395	2.5
193.10124	5.1
195.10176	5.4
195.11745	5.3
197.09624	3.2
197.13217	3.4
199.11154	5.5
199.14876	5.0
201.12759	8.0
203.10641	2.4
207.10141	90.7
209.13257	9.9
211.14859	4.3
213.12802	3.8
219.11726	3.4
220.12486	2.5
221.13402	4.8
223.11188	3.0
223.14854	5.9
227.14310	24.3
233.13400	2.3
235.14868	3.4
237.16318	4.5
241.15797	2.8
247.14757	5.6
251.14359	3.2
265.15863	6.9
266.16824	2.8
267.17551	4.2
267.20895	2.3
270.09671	6.5
277.15765	2.6
277.19370	3.0
283.17102	3.3
287.16486	8.4
295.20578	7.1
299.06094	5.0
305.19067	5.1
318.94202	2.6
319.20935	2.1
323.20090	3.1
341.13779	9.6
373.16251	4.3
403.22510	7.0
421.23709	100.0
422.23877	10.5
437.26962	5.9
439.24872	30.3
440.25046	3.9
457.25949	24.9
458.26215	5.2
463.24661	5.5
481.26144	16.4
499.23270	9.4
517.24316	12.1
535.28320	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.7
55.01858	6.2
55.05513	29.0
55.94657	4.1
57.03431	10.4
59.04982	5.7
67.05502	16.5
68.96613	3.2
69.03432	31.6
69.07058	11.8
71.04989	6.2
71.30514	5.2
72.69982	3.7
73.02846	4.1
73.04781	5.8
73.44209	3.8
77.03948	3.8
79.05488	16.3
81.07051	37.5
83.04978	8.5
85.02904	11.5
85.06564	8.8
91.05445	27.2
93.07033	35.1
95.04956	13.8
95.08607	41.8
97.02863	5.5
97.06539	9.0
97.10163	8.0
99.04470	6.3
101.06033	18.2
103.05418	5.5
105.07024	36.0
107.04935	13.7
107.08582	31.3
109.06500	30.3
109.10155	13.6
111.08050	12.8
115.03899	5.8
115.05408	5.9
117.07016	15.0
119.04909	4.1
119.08564	30.5
120.08920	5.5
121.06524	25.9
121.10183	22.0
121.10899	3.8
122.10463	3.9
123.08044	33.0
125.05974	13.3
125.09605	8.9
128.06157	9.5
129.07028	11.6
131.04930	4.1
131.08556	33.4
133.06493	15.7
133.10118	22.0
135.08063	22.9
135.11684	11.1
137.05965	29.7
137.09569	10.1
139.06609	4.3
139.07510	21.3
141.06950	7.2
142.07808	9.5
143.08566	24.6
144.09097	4.2
145.06454	11.8
145.10117	26.4
146.10483	5.2
147.08055	17.7
147.11685	23.0
149.09615	12.1
151.03885	32.5
151.07487	7.7
155.08488	18.1
156.09392	5.4
157.10130	24.5
159.08040	26.3
159.11734	33.4
160.08611	6.3
161.06009	5.1
161.09514	17.9
161.13287	10.9
163.03876	4.9
163.07498	9.7
163.11186	11.0
165.05521	5.5
165.09109	19.5
166.09529	8.6
167.05595	7.5
167.07048	10.6
169.10159	21.2
171.08070	7.0
171.11671	27.9
173.09671	19.8
173.13255	10.5
175.07559	8.3
175.11212	12.5
177.05415	6.2
177.09070	10.4
178.07909	4.3
181.04924	13.3
181.06454	4.0
181.10118	14.4
182.10974	4.3
183.08101	5.6
183.11710	19.3
184.12355	4.3
185.09612	8.8
185.13239	14.1
187.07524	8.0
187.11200	10.1
189.09122	6.8
189.12753	6.0
191.10666	10.3
193.08617	5.7
193.10193	7.1
195.11717	16.1
197.09546	8.7
197.13257	7.6
199.11153	7.0
199.14836	5.7
201.09129	6.8
201.12746	8.5
203.10602	6.8
204.07776	10.9
205.08530	6.5
207.11719	13.0
209.09557	3.9
209.13268	20.3
211.11140	9.6
211.14781	11.6
213.12772	7.2
215.10626	4.2
219.10081	38.8
219.13719	6.3
220.12390	5.4
221.13219	11.3
223.11298	5.3
223.14857	7.4
225.12842	5.9
233.13402	7.2
235.14720	9.7
236.15526	6.2
237.12694	9.4
237.16335	10.1
245.13188	6.9
251.14278	15.8
251.18047	5.5
253.12292	5.7
253.15909	8.2
254.16081	4.7
263.14325	7.1
263.17929	8.3
267.17151	4.3
269.15247	11.7
277.15845	7.6
279.17456	18.6
280.18170	9.4
281.15454	6.2
281.18936	31.5
283.02908	5.0
293.18845	13.5
295.16934	7.8
299.06116	15.3
309.18341	4.8
311.16647	9.0
311.20004	64.9
341.13840	7.9
341.21091	13.3
344.97632	4.3
353.21182	31.1
355.22775	4.4
371.22110	72.3
372.22488	6.6
373.16467	13.2
375.18915	4.6
391.22433	4.5
393.20526	5.2
395.31174	5.4
409.23651	52.2
410.24109	5.6
413.19504	5.6
415.03079	4.9
427.24789	75.4
428.24850	5.1
432.44751	4.2
439.24713	13.3
444.28143	10.5
445.28513	39.9
453.22449	14.2
455.23914	8.2
457.21365	5.5
457.26535	6.3
463.20724	7.7
469.25745	10.7
471.23773	30.9
481.22269	14.6
487.26886	10.5
489.24771	10.5
499.22366	34.0
517.24237	100.0
518.24731	9.0
535.21906	8.6
535.30670	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
65.90913	0.7
67.05510	2.3
69.06816	7.0
73.04752	0.8
75.78267	0.9
81.07056	1.9
83.08587	0.9
91.05853	1.2
93.07046	1.6
95.08618	1.5
98.22657	1.9
105.03410	2.2
105.07037	1.5
107.08595	1.3
109.10194	1.1
119.08591	1.0
121.10158	1.3
133.10208	0.7
137.05965	1.5
167.05530	1.4
204.94685	0.8
254.67145	0.7
299.06290	3.0
399.18307	1.0
481.99350	0.8
535.33984	100.0
536.34296	7.1
536.50153	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78422	0.7
67.05499	0.8
71.21597	0.6
71.33541	1.0
71.64015	0.6
73.04758	0.8
79.05484	0.8
81.07070	1.1
91.05424	1.0
93.07050	1.7
95.08620	2.1
96.08227	0.6
96.30636	0.6
101.78485	0.6
105.07048	1.3
105.12098	0.6
107.08646	0.9
109.10157	0.9
133.10120	1.0
137.05988	1.6
147.11732	1.3
147.71526	0.7
161.13174	0.9
203.10576	0.7
203.17955	1.1
204.18564	0.8
266.88681	0.6
299.06165	2.3
321.19644	0.8
327.68820	0.7
414.37897	0.7
475.31967	1.2
535.34003	100.0
536.34497	7.9
536.50757	1.0
560.46722	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19281	0.6
53.03947	1.2
55.01886	0.7
55.05511	4.6
57.07067	1.2
64.79774	0.6
65.03932	0.8
67.05504	6.2
69.05390	7.0
69.07064	5.3
73.04735	0.7
79.05489	6.4
81.07055	15.8
83.08619	2.1
91.05434	10.2
91.27458	0.7
93.07047	10.8
94.04206	1.0
95.04940	1.3
95.08603	14.8
97.10194	0.9
103.05475	1.3
105.03422	0.8
105.07028	38.8
106.07867	1.3
107.08595	13.4
109.06496	0.7
109.10149	14.6
117.07042	1.3
119.08578	32.1
121.10139	8.1
122.03639	2.6
122.10950	1.3
123.11709	8.5
131.04893	1.1
131.08543	2.7
133.06477	5.5
133.10132	20.6
134.10934	0.7
135.11729	3.8
137.05972	41.3
137.13217	1.1
138.06265	1.0
139.03932	1.4
145.10095	2.8
147.11693	24.9
148.12477	7.1
149.13264	9.6
151.07613	1.1
153.05446	4.1
157.10112	1.3
159.11714	1.5
161.13255	61.9
162.13722	2.5
163.14845	1.4
167.05544	1.7
167.06931	1.2
175.11179	7.7
175.14821	4.6
176.15614	0.8
177.05472	1.5
177.16399	1.6
179.06989	0.9
187.07515	0.9
189.16388	34.0
190.16728	1.0
191.07028	4.6
191.10709	1.2
193.08592	4.8
203.17952	50.4
204.18735	100.0
205.12248	4.3
205.19255	6.1
207.10246	1.0
207.13814	7.4
221.11794	1.1
251.75183	0.7
259.13287	1.2
299.06100	3.3
313.14365	1.5
331.15372	1.7
344.97403	0.8
345.16974	1.1
359.18607	1.5
383.18497	1.6
385.20065	1.1
489.11426	0.7
535.34332	17.0
536.34198	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29532	0.6
53.03939	1.0
54.52282	0.6
55.05505	3.8
55.05723	0.6
57.07086	0.8
67.05500	8.9
68.37339	0.6
69.04527	0.7
69.05694	5.9
69.07069	5.8
73.04755	0.7
77.61148	0.5
79.05489	5.1
81.07053	16.9
83.08614	2.0
91.05461	13.9
92.88982	0.7
93.07042	12.6
94.04182	1.9
95.04948	1.4
95.08605	12.4
98.23287	1.4
103.05457	1.2
105.03362	1.0
105.07025	47.8
106.07866	0.9
107.04945	1.1
107.08592	15.3
109.06478	0.9
109.09438	1.2
109.10153	13.1
115.05451	1.1
117.07011	1.4
118.58365	0.6
119.04965	0.7
119.08575	39.2
120.08919	0.8
121.06488	0.8
121.10133	8.4
122.03635	3.2
122.10916	1.6
123.11700	7.5
129.07057	0.6
131.08531	2.5
132.09348	1.0
133.06491	6.8
133.10123	24.6
134.10789	0.8
135.11674	4.1
135.82495	0.6
137.05966	44.8
138.06317	1.3
139.03900	2.8
143.08560	0.9
145.10115	3.3
146.07324	0.7
147.08084	0.9
147.11684	28.0
148.12483	6.4
149.13272	7.9
151.07571	0.9
153.05469	3.7
157.10030	0.6
159.08064	0.7
159.11671	1.9
160.12491	1.0
161.13251	65.2
162.13744	2.8
163.14783	2.0
164.31856	0.6
165.05437	0.7
165.09154	0.9
166.79263	0.6
167.05666	1.1
167.06984	1.3
172.05640	0.6
173.05931	0.6
173.13081	0.7
175.11160	7.2
175.14795	4.3
177.05411	1.1
185.20117	0.6
187.07504	0.8
189.16377	35.0
190.16783	1.3
191.07048	3.8
191.10680	1.4
193.08578	5.2
203.15979	1.1
203.17947	56.9
204.18723	100.0
205.12257	3.1
205.19295	5.3
207.10194	1.0
207.13782	8.5
221.11653	1.6
247.13280	0.8
259.13373	0.8
262.25238	1.1
274.69943	0.7
283.87271	0.6
299.06097	2.3
313.14310	1.6
331.15356	1.2
344.97778	0.8
359.18384	1.8
383.18414	2.0
385.19913	1.1
535.34296	14.4
536.34229	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68412	4.0
67.05525	6.7
69.14264	26.9
69.14665	11.0
73.04763	27.2
81.07048	6.1
89.34131	3.9
91.05321	4.5
91.05813	53.5
93.07060	4.3
95.04949	7.4
97.06586	4.1
105.03412	36.0
107.08576	7.4
112.13113	4.5
119.78067	4.3
133.10144	5.2
135.11650	4.7
149.04449	12.0
156.79990	4.4
164.34956	4.1
167.05556	54.6
185.47163	4.4
205.06514	6.0
225.04373	11.5
236.08232	5.4
239.09496	9.3
249.09007	6.2
256.15436	4.2
263.07153	5.5
264.07693	4.6
266.99884	9.0
278.09247	5.1
279.09964	7.4
283.03033	19.5
292.07007	4.8
294.08560	4.3
299.06158	100.0
300.06198	6.0
305.08038	7.3
307.09592	7.7
321.10898	5.1
337.10754	14.2
339.12338	5.9
344.97653	22.1
353.13632	5.9
359.02982	6.1
367.11740	30.3
368.12347	5.6
383.14783	10.1
384.15240	8.2
397.12805	12.2
415.03473	20.2
503.10272	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01862	0.7
57.03432	0.8
58.35287	0.7
61.02937	0.9
67.05499	0.8
69.03422	2.9
73.02912	0.7
73.04749	3.0
79.05478	2.6
81.03421	1.4
81.07037	1.9
83.08595	0.7
85.02913	8.0
91.05867	3.8
91.48360	0.6
95.04954	0.9
95.08604	0.8
97.02883	3.0
103.05476	5.8
105.03377	0.9
105.04589	0.7
105.07041	1.5
107.04954	1.6
107.08589	0.6
109.02895	1.0
119.04967	1.4
121.06476	1.5
127.03934	1.4
129.06964	0.7
131.04927	19.2
133.06482	1.1
135.04411	100.0
136.04799	1.8
137.05972	13.8
145.04950	1.7
145.06459	1.1
147.04390	2.6
147.07947	1.0
149.04495	1.7
149.05992	2.3
151.03870	1.3
151.07552	0.8
156.45531	0.7
159.04367	1.0
161.05940	1.2
163.03932	1.5
163.07555	9.0
167.05568	5.8
167.29053	0.9
175.03914	2.7
175.07541	2.4
176.04692	1.6
177.05414	1.4
189.16440	0.8
191.06975	1.1
199.07542	0.7
203.08540	2.6
225.04257	1.1
225.58641	0.7
231.08072	4.7
232.08635	0.9
248.08154	0.8
259.07468	1.9
261.09113	3.1
263.10690	3.2
265.08582	0.9
266.99881	1.3
279.10010	1.3
283.03101	2.1
289.08603	7.6
291.10214	3.1
293.11636	1.2
299.06183	10.5
300.05954	0.8
303.10049	4.0
307.09619	2.4
309.11105	1.0
321.11200	11.4
339.12262	45.5
340.12698	2.1
344.97574	1.9
357.13303	26.2
358.13718	1.8
359.02780	1.0
415.03662	2.2
473.89212	0.7
503.10587	0.9
536.32178	0.7
537.26324	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45530	5.2
61.34964	5.3
69.69047	21.3
70.29482	4.5
73.04758	10.7
73.31354	4.7
81.07063	7.3
85.58444	4.3
91.05810	5.7
101.18996	4.8
105.03387	56.2
105.91258	5.0
129.54070	4.6
163.02917	5.4
167.05592	9.2
184.78772	5.0
190.31183	5.8
192.12666	4.7
231.12726	5.3
232.13875	5.1
264.26434	4.5
299.06113	18.0
319.95053	5.6
320.10532	8.0
335.12772	100.0
336.13245	13.2
351.12268	9.8
356.89352	4.8
366.14566	78.5
366.18652	9.0
367.15182	11.5
397.16306	30.5
415.03317	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23024	4.3
66.56658	4.9
67.05502	10.9
69.07030	7.7
71.32317	7.1
73.04751	24.7
79.05492	11.6
81.07046	7.0
83.37139	5.5
91.05840	38.8
93.07034	9.6
95.08601	8.3
105.03375	10.4
105.07010	12.9
107.08537	5.6
114.07373	5.3
121.10122	7.5
133.06485	14.1
133.10117	6.0
134.06796	9.9
135.04405	10.7
137.05969	49.5
138.06311	12.4
149.04564	12.6
167.05548	60.0
167.06960	7.2
175.11186	15.7
176.11510	11.2
176.69699	6.2
184.07324	11.8
194.09387	4.3
207.13799	14.4
208.14104	10.1
219.17616	9.2
222.84068	5.6
225.04187	8.0
239.09489	15.2
266.99899	13.0
281.05219	6.7
283.03113	15.3
293.11774	5.4
299.06168	100.0
300.06100	13.4
321.11197	9.9
335.12680	14.1
336.13409	9.8
344.97641	21.0
348.20316	6.8
351.12064	7.7
359.02722	6.1
366.14572	11.6
367.15384	38.3
397.16537	29.0
415.03552	13.5
535.45099	6.5
536.27216	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.1
55.80629	1.9
67.05490	2.2
69.01052	2.0
69.02990	14.5
69.03396	5.3
73.04748	9.6
80.75040	1.9
91.05822	15.0
95.05008	3.4
95.08584	2.7
103.05463	58.2
104.05793	37.6
105.03381	10.9
105.04539	2.8
105.06137	7.6
105.06790	2.0
131.04926	100.0
132.05266	83.7
133.05524	21.6
134.05734	3.7
143.00143	1.9
148.44702	2.7
149.04510	3.8
155.03069	2.1
161.82275	2.0
167.05539	14.5
227.07158	2.2
235.11011	2.9
239.09480	3.2
243.92870	2.5
249.09048	2.4
255.06567	4.8
256.07291	5.4
263.10687	3.3
266.99979	5.7
283.03043	5.7
283.06024	4.8
283.09525	4.3
284.06717	2.2
291.10165	3.6
293.11581	3.2
295.13107	5.0
299.06125	29.8
299.09039	2.9
300.06281	5.2
307.09598	3.7
307.13025	2.1
311.08960	3.3
312.09738	2.5
313.06955	3.8
314.07886	22.2
315.08447	3.6
316.09454	4.0
321.11191	10.3
322.11908	3.2
323.12616	4.2
325.14203	4.2
326.11484	3.6
327.08481	2.7
329.10196	2.7
330.10999	11.1
337.14371	5.0
341.10165	3.1
344.97604	6.2
353.13821	28.2
354.14191	2.8
359.02832	5.0
368.16077	10.9
369.16916	9.9
383.14929	60.0
384.15305	6.4
399.18051	36.6
415.03702	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.5
55.05519	2.5
57.03434	9.6
61.02925	5.9
67.05523	3.6
69.03432	16.5
69.07076	3.5
69.73228	2.2
70.64006	6.3
71.04980	6.1
73.02922	11.1
73.04748	6.1
77.57073	2.7
79.05492	4.0
81.07062	8.1
85.02917	21.4
91.05480	10.1
93.07034	20.9
95.04971	9.1
95.08605	6.6
97.02911	14.3
99.04470	5.6
103.05475	3.2
105.07037	53.6
107.08597	14.1
109.02925	2.5
109.10159	6.2
115.03950	5.0
115.80505	2.2
117.07037	3.4
119.04962	2.2
119.08595	12.4
120.51889	2.2
121.10152	5.5
123.08080	8.4
123.11727	6.6
127.03924	6.2
131.08517	2.3
133.04984	7.5
133.06509	4.1
133.10138	44.9
135.11697	5.1
137.05968	15.0
143.08582	4.8
145.04941	4.4
145.10144	9.1
147.11737	4.4
149.04509	3.2
149.09631	7.9
149.13194	2.6
151.07599	6.2
151.11217	5.2
161.09631	31.4
163.11186	100.0
167.05606	9.7
167.10712	14.0
177.19357	2.0
179.10684	67.7
189.09087	21.0
201.09314	2.4
207.10197	26.4
207.13843	8.3
207.17465	4.1
225.11237	13.6
225.14903	7.2
238.94925	2.3
259.08224	2.1
267.00064	3.4
283.03085	3.0
299.06161	19.3
300.06436	2.6
344.97693	5.5
415.03220	3.7
432.19305	10.3
536.20703	2.5
536.28717	4.6
537.24939	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01862	6.5
55.05516	2.8
57.03437	11.2
59.05000	1.4
59.98081	1.2
61.02923	4.4
67.05506	2.9
69.03436	15.9
69.57877	2.9
69.58270	3.3
71.01348	3.0
71.04990	10.0
73.02915	17.0
73.04745	3.8
79.05495	5.0
81.03418	2.8
81.07056	21.4
83.04977	1.5
85.02904	24.0
85.06547	2.0
91.03905	1.9
91.05424	10.6
93.07043	16.9
95.04992	2.9
95.08595	4.0
97.02889	27.6
97.06549	1.5
99.04453	23.5
103.03959	1.2
105.07027	31.0
106.07397	1.5
107.04963	3.0
107.08591	13.2
109.02877	3.0
109.06531	5.2
109.10130	2.0
111.08067	12.3
115.03952	8.6
119.04906	2.1
119.08580	6.9
121.06519	3.7
121.10133	3.3
123.04419	2.3
123.08042	9.4
127.03931	5.6
128.06233	1.8
129.06990	1.8
131.08563	2.6
133.04984	6.8
133.06480	4.7
133.10129	48.8
135.08089	1.7
135.11687	1.5
137.05980	14.5
137.09572	1.8
143.08557	6.9
145.04945	7.7
145.10132	4.6
146.07292	2.2
147.11699	2.9
149.09627	4.9
149.61627	1.3
151.03902	6.0
151.07478	3.7
151.11214	4.8
161.09616	52.0
161.13254	2.7
162.09940	1.6
163.06055	2.9
163.11151	9.6
165.09169	1.7
165.12715	2.3
167.05531	5.6
167.10652	1.6
171.08047	2.0
171.95741	1.6
179.10677	22.8
189.09096	20.0
200.99028	1.3
203.07025	3.3
207.10184	15.4
207.13783	10.8
225.11214	100.0
226.11598	3.2
266.99954	1.8
299.06070	9.5
344.97607	2.0
376.77682	1.4
536.21301	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.2
52.07457	0.6
53.03950	5.1
69.09656	5.2
70.68786	0.5
73.04757	0.9
77.03934	1.3
79.13833	0.6
81.03381	0.7
91.05814	1.0
95.04967	5.7
98.23376	1.3
105.03391	100.0
105.07037	0.8
106.03712	1.7
167.05550	1.7
240.19739	0.7
299.06131	3.3
344.97586	0.8
356.15884	0.6
359.02896	0.7
370.99356	0.7
383.15222	0.9
385.16315	0.8
464.82846	0.7
491.20587	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.5
55.05531	3.4
57.03445	7.5
59.04978	1.4
61.02929	4.8
65.15148	1.4
67.05498	3.9
69.03424	10.7
70.89316	3.2
71.01357	1.7
71.04993	4.5
73.02921	10.8
73.04752	6.4
79.05507	5.1
81.03421	2.9
81.07068	8.3
83.04983	4.1
83.08645	1.9
85.02905	25.2
85.06598	1.6
87.04475	4.9
91.05389	2.9
91.05830	4.8
93.07044	17.4
95.04980	8.7
95.08603	6.9
97.02901	14.2
97.06544	2.1
99.04476	8.9
105.07027	6.9
107.04961	2.7
107.08593	37.8
108.05717	1.8
108.08152	1.4
109.02855	1.8
109.06517	4.3
109.10128	3.4
111.04454	1.9
111.08093	2.0
115.03935	4.7
117.07020	1.5
119.08578	4.3
121.06493	2.4
121.10149	14.2
123.04423	1.7
123.08070	95.4
123.11697	7.0
124.08379	1.5
125.06020	4.4
125.09622	23.3
127.03921	6.0
131.04991	1.7
131.08585	3.9
133.04988	6.3
133.06471	1.6
133.10143	7.6
135.08092	1.6
135.11717	3.1
137.05983	6.4
137.09610	2.2
139.11131	3.3
143.08627	1.6
145.04999	6.6
145.10158	2.5
147.08116	1.7
147.11687	6.2
149.04506	2.3
149.09622	38.9
151.07507	6.7
151.11145	12.4
157.10159	1.4
159.08104	2.1
159.11673	2.4
161.06012	2.4
161.13266	7.3
163.06116	2.3
164.53958	1.5
165.09134	4.3
165.12779	4.7
167.05614	9.9
167.10687	10.3
171.11749	1.5
173.09572	1.8
175.07582	1.9
177.05579	1.8
177.47620	1.4
179.14336	4.7
183.13817	4.0
185.09653	1.8
189.12761	9.9
191.10634	3.5
207.13797	18.1
225.04251	2.5
225.14857	100.0
226.15198	3.5
231.13789	1.4
237.14920	2.3
238.61560	1.4
239.09602	2.9
243.10089	2.2
249.14871	6.4
259.09607	2.5
266.99924	3.1
283.03036	2.4
291.15909	2.0
299.06201	17.8
300.06461	2.2
309.11423	2.2
344.97714	4.0
351.09698	3.4
351.17813	1.7
383.12460	1.6
415.03708	4.6
500.16476	1.6
536.20496	2.0
536.29224	4.3
537.30212	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.1
55.05514	0.4
57.03439	5.0
59.05000	0.6
61.02930	2.2
67.05488	1.2
68.04976	0.4
69.03088	0.6
69.03432	6.8
69.14033	3.3
71.01357	1.0
71.04992	0.5
73.02918	6.5
73.04765	1.0
79.05480	1.0
81.03406	1.1
81.07052	1.0
83.04984	2.9
85.02906	13.6
85.06576	0.3
87.04459	1.0
87.97126	0.4
90.55894	0.3
91.03963	0.3
91.05407	0.5
91.05856	0.5
93.07057	1.9
95.04983	1.3
95.08603	3.2
97.02894	8.0
97.06519	1.5
99.04443	0.7
103.03964	0.7
105.07025	0.9
107.08594	1.1
109.02865	0.6
109.06533	1.7
109.10154	1.1
111.04453	0.7
115.03927	4.7
119.08579	2.5
121.06520	1.3
121.10135	5.1
123.08066	100.0
124.08370	2.3
125.05972	0.7
127.03910	3.4
132.06598	0.4
133.04964	5.8
133.10107	1.0
134.64970	0.4
135.11703	1.4
137.06033	0.8
137.09592	0.9
145.04956	3.7
145.10095	1.2
147.11707	0.6
149.04483	0.5
149.09627	2.2
151.07582	0.7
151.11177	7.8
161.13226	0.5
163.03964	0.4
163.05998	1.5
163.11195	2.5
165.05597	0.4
165.08884	0.4
165.12738	0.6
167.05582	1.5
167.10684	3.0
181.12225	8.7
187.05940	0.3
187.07611	0.4
189.12753	1.2
207.13800	7.5
223.06024	0.7
225.14842	31.6
226.15167	1.0
241.07022	0.9
245.16028	0.4
259.08221	0.8
283.03152	0.6
295.10330	0.4
299.06049	2.5
344.97775	0.6
475.76544	0.4
476.31335	0.7
561.64038	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65515	0.3
53.03940	0.4
55.01870	2.1
55.05512	0.6
57.03434	4.0
59.04997	0.5
59.45645	0.3
60.91314	0.3
61.02921	1.6
67.05492	1.8
69.03429	4.9
70.56317	0.3
70.59685	0.7
70.60060	0.7
71.01344	0.7
71.05000	0.5
73.02917	6.1
73.04758	0.9
79.05481	1.3
80.23816	0.3
81.03404	1.3
81.07047	2.2
82.63290	0.3
83.04974	2.1
85.02903	11.3
87.04465	0.9
91.03981	0.3
91.05405	0.6
91.05877	0.5
93.07037	0.9
95.04967	1.2
95.08594	3.1
97.02888	7.1
97.06526	1.5
99.04446	0.8
99.08083	0.7
101.45426	0.3
105.07024	1.6
107.04884	0.4
107.08601	1.0
109.02898	0.9
109.06509	3.4
109.10159	0.8
111.04436	1.1
111.08053	0.4
115.03923	3.6
117.06996	0.4
119.08570	2.8
121.06525	0.8
121.10133	3.1
123.08064	100.0
124.08385	1.7
125.12603	0.3
127.03915	3.3
131.08565	0.3
133.04964	4.4
133.10136	0.9
135.11737	0.5
137.06007	0.9
137.09618	1.1
145.04951	3.2
145.10158	1.1
147.11693	0.8
149.09665	1.8
150.07625	0.4
151.07536	0.6
151.11160	1.6
160.08617	0.3
161.09636	1.0
163.06038	1.8
163.07300	0.4
163.11183	1.2
165.09114	1.4
165.12709	0.4
167.05540	1.2
167.10675	1.5
179.10664	0.7
181.12224	12.5
183.14827	0.4
189.09024	0.6
189.12758	0.5
207.10161	2.8
207.13802	3.9
208.10529	0.4
223.06052	0.8
225.11465	4.2
225.14841	24.7
226.15262	0.9
241.07069	0.8
253.72751	0.4
259.08136	1.0
283.03259	0.5
287.05496	0.4
288.05664	0.5
295.10345	0.4
299.06195	2.0
300.06110	0.4
344.97806	0.6
415.03467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01867	1.5
57.03432	3.0
61.02918	1.4
64.52561	0.6
65.22901	0.6
67.05494	1.2
68.99545	1.5
68.99948	3.8
69.03430	3.9
71.58923	0.6
73.02921	4.5
79.05473	0.6
81.07043	0.9
83.04958	1.7
85.02896	9.4
87.04469	0.8
91.03955	0.8
93.07048	1.3
95.04969	0.6
95.08605	2.3
97.02882	6.4
97.06512	1.2
105.07036	2.0
107.08587	1.3
109.02888	1.1
109.06516	2.1
111.04464	1.0
115.03909	3.0
119.08603	2.0
121.06541	0.8
121.10130	5.9
123.08063	100.0
124.08411	1.4
125.05976	0.9
127.03938	2.0
133.04974	4.5
133.10130	1.2
135.11659	1.2
137.09622	0.8
145.04971	3.9
145.10184	0.8
149.09616	3.0
151.11189	4.9
154.13422	0.5
163.06042	0.8
163.11186	1.1
167.10666	2.3
181.12227	9.7
189.12752	1.2
207.13788	5.6
225.14841	27.5
226.15169	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.7
57.03432	5.0
57.07050	3.4
58.00676	2.2
61.02925	3.3
67.05489	5.7
69.03416	10.7
70.06591	2.4
70.75618	4.0
73.02911	7.3
73.04758	10.0
80.24290	2.5
80.43797	2.5
81.07056	14.9
83.04977	2.8
85.02905	76.0
91.05361	2.9
91.05807	8.8
93.07047	3.6
95.08594	3.1
97.02900	10.8
105.07030	14.3
107.08580	6.4
109.06526	4.6
109.10178	6.2
112.79019	2.5
115.03926	2.9
119.08566	24.5
121.10140	10.1
123.04404	4.3
123.08067	4.8
123.11707	69.1
125.06012	7.6
127.03921	6.7
130.07813	3.2
133.04910	5.3
133.06493	6.1
133.10181	2.6
143.08585	2.7
144.08098	3.5
145.04962	3.9
145.10097	18.4
147.08032	5.0
147.11670	28.4
149.09647	7.2
150.69688	2.6
151.03857	2.8
151.07568	3.1
151.97079	2.4
156.09334	6.0
161.13289	3.2
163.03868	2.5
165.12706	4.2
167.05554	16.2
167.06900	3.9
167.10687	2.8
171.11708	5.5
189.12740	100.0
190.13222	2.8
207.13799	72.5
219.10515	2.5
225.04414	4.7
225.14850	20.6
266.99777	4.6
283.02954	3.3
298.67160	2.5
299.06210	29.7
300.06143	3.7
344.97565	5.6
371.63644	3.1
375.01563	2.9
415.03400	4.4
532.98413	2.5
536.17511	3.5
536.24878	3.3
537.19507	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76600	2.1
56.74600	2.7
57.03432	4.3
67.05508	4.6
69.03447	5.9
69.56266	10.0
69.56674	4.6
73.02921	4.9
73.04749	2.4
79.05505	4.1
81.07064	11.3
83.66806	2.2
85.02419	4.7
85.02910	59.1
89.62089	2.3
95.08654	2.6
97.02897	6.4
105.07029	13.5
107.08582	3.4
107.28127	2.2
109.06506	2.7
109.10146	4.5
110.18041	2.6
114.89429	2.5
119.08566	17.4
121.10118	5.3
123.11716	66.7
125.06084	2.9
133.04944	3.2
133.06493	4.5
143.08479	3.4
145.04990	3.7
145.10127	16.4
147.08009	3.5
147.11705	27.6
149.09587	6.0
151.07521	3.8
156.09366	5.1
171.11649	5.8
189.12762	100.0
190.13103	3.5
207.13821	60.5
207.15559	2.3
225.14871	17.5
264.92255	2.8
299.06134	8.4
377.25885	3.2
392.23846	2.4
467.24146	2.6
532.28394	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62099	1.2
57.03446	6.3
61.02933	2.4
67.05503	2.6
69.03428	10.2
69.07068	1.5
70.74664	2.1
73.02918	12.7
73.04761	4.1
79.05488	2.4
81.03403	2.1
81.07053	11.6
84.08138	1.6
85.02906	54.3
87.04454	1.2
91.05403	2.1
91.05904	2.3
93.07054	4.5
94.81182	1.3
95.08606	4.2
97.02894	11.4
99.96533	1.5
105.07030	8.9
107.08602	4.7
109.06484	1.4
109.10145	6.0
115.03922	5.0
117.03369	1.8
117.07039	2.7
119.04922	1.9
119.08593	15.6
121.10147	5.1
123.08112	2.5
123.11708	50.5
124.12012	1.7
125.06030	3.5
127.03931	4.1
130.07800	1.5
131.04897	3.0
131.08572	4.0
133.05002	2.2
133.06499	5.0
133.10155	1.8
137.05959	6.9
143.08600	1.3
145.02892	2.3
145.04977	3.3
145.10124	15.7
147.04440	3.4
147.08014	2.0
147.11684	27.6
149.09619	3.7
151.07520	1.7
156.09352	6.4
161.13327	2.1
163.03947	4.6
163.06053	2.3
163.07492	2.0
167.05566	4.0
171.11711	5.1
177.05531	3.3
189.12749	100.0
190.12997	2.8
207.13808	47.8
208.14194	1.7
225.14850	11.1
241.06982	1.6
283.03085	2.8
286.69604	1.3
295.10208	1.6
299.06186	10.7
314.12088	2.2
344.97696	1.4
373.13730	2.3
374.14386	5.5
388.75366	1.3
415.03711	1.5
487.12357	1.4
536.21729	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.2
55.05503	1.1
56.19248	0.4
57.03434	6.0
59.04969	0.7
61.02927	2.1
65.03941	0.4
67.05495	0.5
69.03088	0.6
69.03437	8.9
69.03957	3.9
69.07019	0.6
71.01347	1.6
71.04975	0.8
72.04524	0.6
73.02919	8.8
75.63432	0.3
79.05506	0.8
81.03404	2.8
81.07070	2.1
85.02903	18.2
87.04456	1.6
91.03951	0.6
91.05437	2.1
93.07043	1.9
94.04180	1.0
95.04969	1.0
97.02280	0.7
97.02895	11.2
99.04441	1.0
102.36042	0.4
103.03930	0.9
105.03316	0.4
105.07024	4.3
107.04948	3.1
107.08626	0.8
109.02870	1.4
109.06523	0.9
115.03925	5.8
115.05417	0.4
119.04874	0.6
119.08559	2.0
121.06499	1.2
122.03656	3.1
127.03901	4.4
129.06975	0.6
131.04924	0.5
131.08539	0.6
132.06564	2.3
133.04956	8.2
133.06490	17.2
133.10121	0.8
134.06847	0.5
137.05972	100.0
138.06317	2.3
142.07779	1.2
145.04971	4.8
145.06435	0.6
145.10107	0.7
146.07277	0.8
147.08026	2.1
147.11679	4.8
150.07613	3.2
151.07527	4.1
152.95615	0.4
157.06456	0.6
157.10159	3.6
159.11684	0.6
160.08856	0.8
161.05925	0.7
163.06055	1.9
170.28465	0.4
173.09644	0.8
175.07703	0.9
175.11180	34.1
176.11510	0.9
179.07059	0.8
187.07535	0.6
191.07036	0.9
196.08702	0.5
199.11143	0.7
201.09068	0.5
203.07056	1.2
205.12169	2.2
207.13799	88.4
208.14172	3.3
215.07005	0.8
217.12201	1.0
223.06039	1.0
225.14868	1.2
229.12279	0.5
231.13770	2.0
233.08017	0.6
241.07103	1.2
241.12109	0.5
249.14891	1.4
259.08002	0.7
267.15988	0.4
273.14645	0.4
291.15945	0.5
303.15903	1.0
315.16013	0.5
321.16943	1.4
346.76099	0.4
454.22760	0.6
456.24185	0.6
464.21652	0.5
482.22385	1.0
500.23364	1.7
518.24652	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.5
55.05531	3.4
57.03445	7.5
59.04978	1.4
61.02929	4.8
65.15148	1.4
67.05498	3.9
69.03424	10.7
70.89316	3.2
71.01357	1.7
71.04993	4.5
73.02921	10.8
73.04752	6.4
79.05507	5.1
81.03421	2.9
81.07068	8.3
83.04983	4.1
83.08645	1.9
85.02905	25.2
85.06598	1.6
87.04475	4.9
91.05389	2.9
91.05830	4.8
93.07044	17.4
95.04980	8.7
95.08603	6.9
97.02901	14.2
97.06544	2.1
99.04476	8.9
105.07027	6.9
107.04961	2.7
107.08593	37.8
108.05717	1.8
108.08152	1.4
109.02855	1.8
109.06517	4.3
109.10128	3.4
111.04454	1.9
111.08093	2.0
115.03935	4.7
117.07020	1.5
119.08578	4.3
121.06493	2.4
121.10149	14.2
123.04423	1.7
123.08070	95.4
123.11697	7.0
124.08379	1.5
125.06020	4.4
125.09622	23.3
127.03921	6.0
131.04991	1.7
131.08585	3.9
133.04988	6.3
133.06471	1.6
133.10143	7.6
135.08092	1.6
135.11717	3.1
137.05983	6.4
137.09610	2.2
139.11131	3.3
143.08627	1.6
145.04999	6.6
145.10158	2.5
147.08116	1.7
147.11687	6.2
149.04506	2.3
149.09622	38.9
151.07507	6.7
151.11145	12.4
157.10159	1.4
159.08104	2.1
159.11673	2.4
161.06012	2.4
161.13266	7.3
163.06116	2.3
164.53958	1.5
165.09134	4.3
165.12779	4.7
167.05614	9.9
167.10687	10.3
171.11749	1.5
173.09572	1.8
175.07582	1.9
177.05579	1.8
177.47620	1.4
179.14336	4.7
183.13817	4.0
185.09653	1.8
189.12761	9.9
191.10634	3.5
207.13797	18.1
225.04251	2.5
225.14857	100.0
226.15198	3.5
231.13789	1.4
237.14920	2.3
238.61560	1.4
239.09602	2.9
243.10089	2.2
249.14871	6.4
259.09607	2.5
266.99924	3.1
283.03036	2.4
291.15909	2.0
299.06201	17.8
300.06461	2.2
309.11423	2.2
344.97714	4.0
351.09698	3.4
351.17813	1.7
383.12460	1.6
415.03708	4.6
500.16476	1.6
536.20496	2.0
536.29224	4.3
537.30212	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.0
55.05512	4.0
55.31192	1.5
57.03438	8.8
67.05498	6.4
69.03436	11.1
69.07067	2.0
71.04974	1.9
71.30479	3.1
73.04737	4.1
73.87374	1.6
79.05495	6.2
81.07066	12.3
91.05484	7.6
91.19360	1.8
93.07055	22.4
95.04980	5.9
95.08608	14.0
97.02899	100.0
97.06528	2.3
99.04459	1.7
105.07039	6.8
107.08610	7.2
109.06529	16.7
109.10165	2.0
111.04442	7.3
111.08086	16.4
117.07019	2.6
119.08598	8.2
121.06499	10.0
123.08057	10.2
128.06213	2.2
129.07028	5.7
131.08585	8.7
131.64925	1.6
133.06546	2.5
133.10159	3.7
135.04395	1.6
135.08066	6.5
135.11714	2.2
137.05983	10.1
139.07545	45.5
143.08553	9.2
145.06509	6.5
145.10173	8.6
147.08017	6.8
147.11745	2.8
149.04536	2.0
149.06006	5.0
149.09634	20.3
149.13344	2.1
151.07558	2.4
155.08553	4.0
157.10164	4.1
159.08015	8.1
159.11708	5.9
160.08871	2.5
161.09624	12.0
163.11211	2.0
165.07066	2.5
165.09079	2.6
167.05563	6.9
167.07062	8.0
167.08531	4.0
169.10152	5.3
171.11734	4.7
173.09645	7.6
175.07555	4.4
175.11177	5.4
177.09200	3.4
177.12750	10.9
179.08571	2.3
181.10080	2.7
183.07927	2.2
183.11717	4.8
185.08113	13.7
185.09549	3.6
187.11212	3.7
189.09137	2.6
189.12770	15.6
191.10654	3.6
193.10143	4.0
195.08002	2.5
195.11668	3.0
196.12492	1.7
197.09659	5.5
197.13310	2.9
199.11180	5.4
199.39857	1.8
201.12721	8.9
206.10803	2.3
207.11763	3.2
208.12413	1.7
209.13388	2.3
211.11258	3.4
211.14737	2.0
213.12807	4.5
214.13600	2.5
215.10687	4.1
219.13753	4.1
221.13246	2.8
223.11172	7.6
225.04218	1.9
225.12720	6.1
227.10780	8.1
227.14276	4.8
229.12296	2.7
229.15814	1.7
235.11179	2.6
237.12758	9.1
238.13640	5.3
239.10762	2.9
239.14304	9.6
240.11334	2.4
240.15138	3.9
241.12321	7.4
241.15829	2.4
251.14378	5.3
253.12280	5.6
253.15881	2.6
255.13800	21.5
256.14554	14.4
257.15344	11.8
261.12839	2.5
263.14459	2.5
265.15692	2.4
267.00061	2.2
267.13770	10.0
268.14581	17.4
269.15393	12.9
271.16791	2.3
279.13840	3.5
280.14603	2.9
281.15414	9.8
283.16653	1.7
285.14685	3.9
295.13162	1.7
296.13928	2.2
297.14746	3.2
298.15518	7.8
299.06168	17.4
299.16354	7.0
309.91974	1.8
395.22092	4.6
405.20743	10.6
407.22171	8.3
415.03519	3.2
417.20605	3.9
419.22058	2.7
423.21683	39.4
424.21948	3.2
425.23267	10.9
435.21677	78.8
436.22049	7.2
437.23337	9.5
441.22668	8.5
447.21420	10.5
453.22751	73.0
454.22852	8.4
455.24472	15.6
456.24588	2.1
465.22733	76.4
466.23056	5.8
471.23605	2.6
473.25073	3.1
483.23761	79.7
484.23935	5.0
501.24893	26.6
502.25339	2.4
518.25012	3.9
519.26440	3.4
536.27069	16.5
536.35339	3.0
537.27466	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.6
58.06620	0.7
60.08165	6.4
67.05498	1.0
69.03433	2.6
69.04935	1.5
69.05358	1.5
70.03745	0.4
71.07370	2.7
73.04749	2.4
81.07040	0.7
86.09704	29.3
87.10050	0.3
91.05801	5.0
93.07039	0.7
95.08588	1.0
98.23300	0.7
98.98470	3.0
104.10748	4.1
105.07001	0.5
109.06494	0.5
125.00002	21.6
137.05986	0.4
139.07516	1.7
140.07890	0.9
141.08095	0.5
149.04453	0.9
167.05550	5.8
184.07336	100.0
185.07611	1.4
223.06477	0.4
225.04248	1.0
239.09543	1.1
266.99881	1.3
281.05118	0.6
283.03082	1.5
299.06171	11.3
300.06180	1.1
344.97665	2.0
359.02756	0.9
367.22607	0.3
389.18695	0.7
415.03656	2.2
423.20911	0.6
441.21527	1.8
459.22864	0.9
465.21848	0.6
483.22818	0.7
500.31146	1.3
501.24335	0.5
503.11057	0.5
518.32416	4.6
536.27417	1.6
537.28076	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.0
56.05046	1.1
58.06620	1.3
58.27837	0.9
60.07885	1.2
60.08166	15.9
65.99336	0.8
67.05508	2.4
70.26856	1.0
70.27206	2.9
71.07379	7.3
73.04755	8.0
79.05508	1.1
81.07062	2.8
86.09705	48.6
87.10022	1.5
91.05820	13.6
93.07040	2.0
95.08608	1.7
98.98476	3.9
104.10746	84.0
105.03417	1.4
105.30305	0.9
107.08612	1.2
114.50416	0.8
125.00010	29.6
134.93050	0.9
137.06032	1.3
143.80885	0.8
148.69589	0.9
149.04494	2.1
161.13329	1.0
167.05566	15.3
184.07350	100.0
185.07678	2.8
186.07779	1.3
223.06343	1.2
225.04288	2.9
234.50206	1.2
239.09486	1.8
266.99893	3.6
277.57434	1.1
281.05066	0.9
283.02979	5.1
299.06177	27.2
300.06235	2.6
323.02313	1.2
344.97635	4.7
359.02863	3.3
375.13599	1.2
401.19827	1.1
415.03610	4.0
416.03662	1.5
475.28113	2.1
487.55148	1.0
500.31335	5.6
518.32458	29.1
519.32928	2.2
536.26917	6.9
537.28259	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.9
57.07076	1.9
59.92446	1.6
61.49983	1.6
67.05495	7.9
69.07062	7.3
79.05486	5.6
81.07053	16.1
82.44218	1.7
83.08659	2.0
91.05427	3.6
93.07046	9.0
95.04943	1.7
95.08600	28.1
98.22654	4.3
105.07035	49.6
105.07742	2.4
107.08581	9.6
109.10154	13.9
119.08582	21.1
121.09418	1.5
121.10150	10.2
123.11709	6.7
131.08524	4.1
133.10133	17.4
137.05928	2.0
145.02818	5.8
145.10187	2.3
146.14072	1.6
147.11684	33.4
149.13268	2.2
159.11707	2.9
160.12482	1.7
161.13263	11.2
163.14856	1.7
167.05576	4.3
173.77744	1.6
175.07538	1.9
175.14835	2.4
177.05447	14.8
195.06511	11.9
203.17953	100.0
204.18475	6.5
235.16971	1.7
264.26794	3.4
283.16870	3.9
284.17249	1.8
299.06171	9.3
340.23120	1.7
344.97729	2.0
385.16376	2.6
415.03299	2.2
514.57385	2.0
551.51678	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.5
55.05508	14.7
57.07063	2.6
57.52990	2.3
61.65359	2.2
62.39188	2.2
65.03944	2.2
67.05509	23.7
69.03426	2.9
69.07066	14.9
69.18293	5.3
69.18693	15.7
70.84503	2.5
71.04993	2.6
71.24458	2.1
71.25951	2.3
73.04759	5.6
79.05492	17.7
81.07059	39.4
83.04965	9.8
83.08600	6.3
86.09694	6.1
91.05393	12.0
93.07046	29.8
95.04956	6.0
95.08610	87.3
97.06548	6.2
97.10200	3.8
98.23379	5.1
99.04440	2.7
104.10751	2.7
105.07035	28.8
107.08596	43.0
109.06519	48.3
109.10147	34.3
111.04453	7.2
111.08066	8.8
113.06020	2.6
113.09657	2.5
117.07011	8.5
119.08580	30.1
121.06521	5.4
121.10158	36.9
123.08073	4.9
123.11699	8.3
124.99953	3.2
127.07516	5.2
129.06981	6.1
130.07834	2.9
131.08569	15.8
132.09323	2.3
133.06511	3.0
133.10127	24.4
135.08034	4.8
135.11700	15.3
137.05959	14.7
137.13286	3.7
139.07570	10.7
141.06947	3.1
141.09096	3.1
142.07875	3.3
143.08557	10.8
144.09322	3.4
145.10127	28.5
147.08031	6.7
147.11659	18.5
149.04358	2.3
149.09612	5.2
149.13246	4.8
151.07503	4.2
151.11279	2.4
155.07040	32.4
155.08426	4.6
155.10623	3.1
156.09351	3.9
157.10127	20.7
159.08025	4.0
159.11676	26.8
161.09621	7.6
161.13271	15.3
163.11197	3.9
163.14821	6.6
165.09186	3.8
167.05606	11.6
169.10138	8.6
170.10931	3.0
171.07892	2.4
171.11652	16.9
173.09579	5.5
173.13287	18.0
175.11169	5.5
175.14806	11.2
177.09119	4.5
177.12724	2.6
179.10681	3.9
181.10100	2.5
183.11682	8.7
184.07321	11.9
185.09579	4.2
185.13321	13.4
187.11153	3.4
187.14816	13.2
189.12770	4.3
189.16414	4.9
191.10641	4.4
193.12244	4.2
193.15982	3.0
195.11671	6.3
197.11671	3.2
197.13245	9.3
199.11230	4.3
199.14787	10.9
201.12694	3.2
201.16319	8.2
205.12166	3.6
207.11766	4.1
207.13747	3.2
209.13332	3.5
211.14796	7.5
213.12715	5.7
213.16382	7.8
215.14288	3.6
215.17963	6.3
217.15839	2.8
219.13831	4.3
225.04439	3.1
225.16428	5.6
227.14171	3.3
227.17859	2.9
231.13776	5.8
233.15266	3.6
237.14778	21.5
239.16220	4.3
239.18256	2.7
241.15909	3.2
241.19392	2.5
245.15411	7.1
251.16203	4.7
257.19061	2.4
261.18643	2.8
263.16455	3.5
265.17975	5.0
266.99973	2.6
269.19141	3.0
277.18103	4.5
279.21030	2.5
282.53027	2.4
283.24292	3.3
285.18402	2.8
287.20132	5.0
299.06168	21.8
301.18552	2.7
311.23685	2.6
325.21872	3.2
329.21091	2.6
343.22662	16.4
344.97891	3.1
345.24200	22.0
347.25848	21.6
393.27643	3.9
401.28354	3.9
419.29459	20.7
420.29721	4.2
437.30530	21.7
447.28912	10.8
455.31363	4.0
465.30011	27.2
466.30295	2.7
483.30991	43.0
484.31030	4.4
501.31866	7.7
536.23462	100.0
536.35168	3.9
537.25067	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94228	1.5
67.05520	4.6
69.16227	6.5
69.16654	6.7
73.04765	9.0
78.50626	1.3
79.05509	2.3
81.07043	2.9
83.05016	1.9
91.05833	7.6
93.07046	3.0
95.08630	5.9
105.07072	4.9
106.10984	1.6
107.08627	4.2
109.10134	2.2
111.08092	1.4
119.08628	5.3
131.08545	2.4
133.10147	2.7
142.07809	1.6
143.08585	2.7
145.10130	3.4
147.08095	1.7
157.10193	2.9
159.08063	1.7
159.11739	2.7
161.09575	1.4
163.11209	1.7
164.81992	1.4
167.05560	9.7
169.10216	4.1
171.11702	2.0
185.13229	1.7
195.11674	1.9
211.14944	2.1
225.04448	2.9
239.09477	2.2
263.03214	1.6
267.00058	3.7
274.74252	1.5
281.10342	1.6
283.03247	2.2
285.18604	1.8
294.62173	1.5
299.06171	20.1
300.06348	2.8
344.97986	3.3
383.18259	2.1
384.18875	2.2
406.31516	1.6
407.26215	1.9
415.04028	3.1
425.26932	5.4
447.28918	5.6
453.24661	2.1
457.27234	2.5
458.37460	1.8
465.29953	8.1
474.27023	3.1
475.28400	3.2
501.26190	3.1
518.26050	5.9
518.35022	2.3
519.26959	7.4
536.16010	1.7
536.18079	2.5
536.27130	78.1
537.28296	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78213	2.2
59.00709	2.4
66.56866	2.6
71.29914	4.9
73.04756	8.9
89.03926	3.6
91.05834	13.1
98.97621	4.0
100.04844	2.5
112.42859	2.8
117.03394	5.5
119.01929	4.0
119.04995	5.0
121.06506	3.4
125.04450	3.7
134.99872	2.7
135.04425	9.1
147.03395	4.4
147.04379	19.2
156.41496	2.6
158.99997	4.4
161.03014	3.7
163.03918	33.5
164.04326	4.0
167.05589	11.3
168.05550	4.4
177.00960	34.8
178.01068	3.8
179.01079	2.6
201.00967	9.0
205.00478	7.2
213.00931	3.4
215.02493	6.3
219.02016	40.4
220.02249	2.9
221.03172	3.5
221.05089	3.3
224.99025	3.9
227.02545	18.2
229.04210	7.4
231.02098	5.0
239.02544	5.5
241.04172	5.4
243.01956	4.3
245.03583	19.3
251.02605	16.3
253.04095	26.0
254.04330	5.8
255.02010	9.7
256.02060	3.6
257.03748	5.6
261.00946	8.0
266.99908	5.7
269.03589	64.9
270.03705	11.0
271.05045	11.6
273.03101	5.4
277.04108	5.5
279.01996	39.8
280.02188	4.7
281.03448	5.2
282.99924	4.1
283.05273	4.4
285.03171	3.6
287.04755	12.3
289.03217	3.5
293.03638	11.7
295.05124	20.8
297.03091	31.1
298.03162	3.3
299.06229	16.9
300.06201	11.6
301.01022	6.1
303.01950	42.6
304.01895	3.6
305.03378	8.2
307.01324	3.0
309.03110	6.0
311.04916	6.5
313.00458	3.2
315.04160	18.0
319.05084	5.5
321.03085	42.9
322.03085	7.2
323.04501	5.9
327.05505	4.3
329.03363	16.0
331.05191	6.2
333.05423	26.0
335.05157	4.0
339.00754	4.0
339.04150	31.9
343.05521	5.3
345.06747	7.4
345.55811	2.9
347.04572	22.2
353.03534	5.8
355.05222	6.0
357.05539	13.1
359.04770	16.6
359.08524	5.0
363.07660	3.8
365.05682	10.4
371.04489	23.7
373.06387	15.4
375.06082	11.0
381.04874	8.9
389.05859	12.3
391.07324	9.4
399.04166	11.1
407.06747	5.1
413.05457	3.4
415.07632	5.2
416.03244	3.3
417.05136	7.8
424.04593	3.0
431.06848	8.3
433.08481	4.9
435.06204	38.0
436.06061	5.4
447.06238	10.9
449.08524	3.9
453.07269	6.8
459.06216	39.0
460.06119	6.5
465.07431	27.0
477.07236	100.0
478.07303	15.7
491.08176	3.7
495.08478	47.0
496.08499	8.8
519.08057	17.9
537.09332	64.2
537.17780	2.8
538.09491	8.4
555.10388	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71539	0.7
67.05502	1.2
69.03431	1.1
69.07066	1.2
69.08226	4.6
73.04757	2.3
79.05500	2.1
81.07063	2.8
85.06507	0.8
91.05846	0.9
93.07053	1.4
95.08614	1.8
98.22581	1.0
99.04456	5.2
103.98859	0.8
105.03359	0.8
105.07044	1.4
107.08614	2.2
109.06530	0.8
109.10171	1.2
111.08077	1.0
119.08603	1.8
120.08973	0.8
121.06512	1.1
121.10145	0.7
123.08070	1.8
127.03938	1.9
128.06198	0.8
129.07114	0.9
133.02614	1.6
133.06548	0.7
133.10155	1.3
139.07576	1.5
146.81699	0.7
147.08115	1.1
151.03941	1.0
152.04762	0.9
157.10152	1.2
161.09651	1.0
167.05627	1.6
168.05687	0.9
169.06494	0.8
169.10155	1.1
171.11734	0.8
175.07654	1.0
175.11354	1.0
195.06534	9.9
195.08177	0.9
197.06046	1.0
207.10138	1.4
212.04730	1.5
213.05522	2.1
223.03976	0.9
225.05539	2.0
237.05647	0.8
237.09178	0.8
239.03500	1.7
240.04233	2.3
241.05074	1.6
251.03372	4.0
251.07162	0.8
252.04192	1.3
253.05084	2.1
255.06601	2.3
256.07208	1.2
257.08112	0.9
260.13669	0.8
263.06946	1.6
265.05042	1.4
266.05804	2.2
267.03046	1.2
267.06619	1.5
268.03781	2.3
269.04547	2.0
272.06647	0.8
273.07700	1.1
279.06650	1.0
280.07440	0.8
281.04623	1.0
281.08112	0.8
282.05136	1.4
283.06079	3.4
284.06851	1.3
285.07587	0.9
287.09216	3.5
293.04575	0.8
293.07889	1.0
294.05304	1.1
295.09784	0.9
297.07581	9.4
298.07977	0.9
299.06149	3.0
300.06073	4.7
308.06970	1.3
311.05591	4.1
311.09103	1.5
312.06375	2.5
313.07126	1.9
313.10608	1.0
315.08771	3.3
316.08838	0.8
323.09262	3.2
326.07904	5.5
328.09320	1.3
333.07895	0.9
335.09637	0.8
342.11047	2.7
343.08105	5.4
345.13245	0.8
353.10431	1.5
355.11786	5.3
373.12885	2.4
379.11871	2.9
397.12784	2.0
416.21500	1.5
457.27603	1.1
461.22925	1.7
466.22931	1.4
475.28268	2.2
479.23700	0.9
483.23788	1.8
484.24115	5.1
500.34158	1.0
501.25394	2.8
501.33664	1.5
502.25183	9.3
518.34747	1.4
519.27277	10.1
519.34546	1.4
536.35992	2.6
537.28180	100.0
538.28619	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05233	0.5
55.05505	0.6
67.45238	0.5
69.07079	0.8
69.16904	1.3
69.17300	4.4
69.37756	0.7
73.04762	0.8
79.05489	0.6
80.61067	0.7
81.07047	0.9
83.08627	0.5
83.83244	0.5
93.07053	0.8
95.93108	0.7
103.05450	2.0
104.05788	1.7
105.03385	1.1
105.06981	0.7
117.29913	0.6
131.04945	2.9
132.05228	3.5
133.05507	1.0
167.05579	1.5
197.05966	0.8
205.06462	0.6
205.61575	0.6
210.06764	0.7
211.07593	1.0
214.06316	0.6
218.66472	0.5
219.08037	0.7
223.07536	0.7
224.08177	0.6
225.05475	1.4
225.09024	1.2
227.06972	1.0
229.08531	1.1
232.64192	0.5
235.11057	1.0
238.09807	0.7
239.06976	1.5
240.07903	0.8
241.04921	0.6
241.08621	1.2
242.05780	1.0
243.06483	0.9
247.11185	0.6
249.09131	1.1
249.51701	0.5
251.10760	1.4
251.38864	0.6
253.08630	1.7
254.09407	1.3
255.06519	3.6
256.07312	2.7
257.08096	3.0
263.10605	2.8
264.07849	0.8
264.11438	2.4
265.08597	1.0
267.06558	1.0
267.13751	1.0
268.07452	1.0
268.10730	1.2
269.04871	0.6
269.08084	2.5
270.05255	1.1
270.08902	1.2
271.06003	1.2
271.09677	0.9
272.06769	1.9
277.08820	1.0
277.12213	0.8
278.12927	0.7
279.10196	3.2
279.13754	1.6
280.10913	2.1
281.08102	2.1
281.11520	1.0
282.08853	0.8
283.05905	0.8
283.09631	1.6
283.12866	0.6
284.06769	3.4
284.10059	0.9
285.07507	4.2
286.08282	0.7
291.10153	3.1
291.13318	0.6
292.11047	1.5
293.08459	0.8
293.11731	2.0
294.08966	0.6
294.12335	1.5
295.10089	1.2
295.13330	3.3
296.07098	0.7
296.10471	1.2
297.07574	2.1
297.10974	0.7
298.08331	1.7
299.05954	2.1
299.09119	11.3
299.12476	0.5
300.06241	5.1
300.09766	1.6
301.06979	1.1
305.11804	0.9
306.12515	3.0
307.09656	3.1
307.13281	3.1
308.10342	2.2
308.13776	0.8
309.11191	1.6
309.14899	2.4
310.12180	0.6
310.15524	2.3
311.09195	2.9
311.12665	1.1
312.09845	7.5
313.07083	1.7
313.10687	3.1
314.07770	1.1
315.08569	8.5
316.09402	8.0
321.11176	1.5
322.12042	3.9
323.12668	8.2
324.09579	0.7
325.10669	1.1
325.14301	1.9
326.11514	13.1
326.14996	1.0
327.08524	1.5
327.12164	2.3
328.09317	2.1
329.10089	2.9
330.10950	25.4
331.11688	4.2
335.12875	0.6
336.13513	0.8
337.10837	1.0
337.14307	17.1
338.11334	1.3
338.15109	6.1
339.12228	2.7
339.15814	1.4
340.12769	0.8
341.17407	3.4
342.11047	2.2
343.11789	5.1
344.12396	1.5
352.13208	0.9
353.13779	11.2
354.14441	2.9
357.13348	7.9
368.16165	26.4
369.13724	1.7
369.16998	26.0
370.17389	1.6
381.16965	1.0
384.15500	2.8
399.18021	100.0
400.18463	7.1
537.18561	2.4
537.28442	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.05502	0.8
59.02631	0.7
60.04519	1.2
67.05505	1.8
69.01069	0.6
69.07065	1.8
69.15073	6.5
71.00314	0.8
72.05424	0.7
73.04750	0.8
74.09719	1.8
81.07068	1.5
85.21913	0.8
85.48856	0.7
89.79865	0.8
91.05852	0.8
93.07047	1.6
95.04989	1.0
95.08615	1.2
105.03395	12.6
121.10166	0.7
131.08585	0.8
138.79913	0.6
159.08305	0.6
167.05594	1.3
167.08409	0.6
175.84932	0.8
196.83589	0.7
197.05956	0.9
198.06956	0.7
205.97083	0.8
206.07202	0.7
207.11418	0.7
211.07532	1.6
221.69197	0.7
226.06296	0.9
227.00259	0.8
227.06970	1.2
229.08652	0.7
235.11258	1.0
239.07193	1.0
241.08592	0.9
242.05750	1.0
248.08269	0.9
249.09094	1.5
252.11494	1.0
253.08765	1.1
254.09477	1.3
255.06508	3.7
256.07297	2.8
257.04654	1.0
257.08133	2.1
259.22067	0.7
262.09967	1.1
263.10657	2.6
264.11447	2.0
265.08691	1.3
265.11990	1.0
267.06586	1.6
268.07291	0.9
268.11023	1.3
269.08151	1.5
270.08691	1.2
271.06042	1.0
272.06812	2.2
279.10217	3.0
279.13739	2.0
280.10989	1.7
281.08035	1.6
282.08569	1.0
283.06113	1.2
283.09668	2.2
284.06876	3.5
285.04419	1.2
285.07593	4.6
285.10629	0.9
291.10159	1.6
292.10791	0.9
293.11752	1.5
294.12421	0.9
295.13300	4.9
296.10208	1.2
297.03659	0.8
297.07565	2.3
298.08224	1.2
299.06104	1.9
299.09210	10.7
300.06265	5.6
300.09656	1.6
301.07019	1.1
306.09048	0.8
306.12521	3.0
307.09735	3.2
307.13251	2.8
308.10529	0.9
309.11176	1.7
309.14734	1.8
310.15677	2.4
311.09183	2.3
311.12650	1.2
312.09927	6.6
313.07346	1.3
313.10590	3.5
315.08597	8.8
316.09375	6.7
321.11227	1.6
322.08298	1.1
322.11792	4.8
323.09055	1.2
323.12723	7.1
325.10822	2.0
325.14435	1.1
326.11472	12.5
326.15021	1.3
327.12006	1.6
328.09421	3.3
329.10269	3.1
330.10995	26.8
331.11493	4.1
336.13400	1.4
337.10510	1.6
337.14301	13.3
338.15076	5.9
339.12259	3.8
341.10196	1.2
341.17496	3.1
342.10974	2.2
343.11789	6.4
344.12326	1.8
353.13834	11.8
354.14514	2.9
357.13409	7.7
368.16187	33.2
369.16956	23.0
369.21405	1.4
370.17554	1.3
384.15747	4.5
399.18036	100.0
400.18378	6.7
437.13544	2.7
438.14362	0.9
484.49564	0.8
536.50336	2.6
537.18915	1.7
537.50665	1.8
548.06921	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03188	1.0
53.03943	4.0
55.01865	3.7
55.05500	2.1
57.03446	1.4
58.94183	1.1
63.77022	1.0
65.03931	2.5
67.05492	7.1
68.99784	4.7
69.00209	7.3
69.03433	2.6
69.07082	1.3
71.04995	8.2
73.04755	1.4
74.21183	1.0
76.02184	1.0
79.05482	5.9
81.03419	58.8
81.07050	6.0
83.04996	1.2
85.02895	7.5
85.06524	2.9
87.04454	1.3
90.56715	1.0
91.00663	1.0
91.05413	6.9
93.07037	6.1
94.04151	2.0
95.04967	3.6
95.08603	3.4
97.02898	1.9
97.06543	6.4
97.53741	1.2
103.05464	1.3
105.07014	6.7
107.04966	2.6
107.08601	4.4
108.02096	2.4
109.06516	3.0
109.10144	2.4
111.04453	2.1
111.08051	1.6
115.05473	4.5
117.07009	3.2
119.04961	1.0
119.08595	3.8
120.04469	1.0
121.06507	3.6
121.10152	4.5
122.03641	4.4
123.08092	2.1
127.03916	1.8
128.06201	3.8
129.07001	12.6
131.04929	2.3
131.08553	2.8
133.10100	3.7
135.04466	1.3
137.05980	84.3
137.09572	1.8
138.06305	1.1
141.05476	2.2
143.04898	5.0
143.08510	1.4
145.06468	4.5
145.10123	2.5
147.04419	1.6
147.08032	3.0
147.11700	1.8
148.03937	11.1
149.05936	1.2
149.09599	1.7
150.09996	1.0
151.03909	100.0
151.05002	9.9
152.04260	2.3
153.05479	1.2
157.06474	15.4
157.10138	2.2
159.11694	1.6
160.05183	2.0
161.06007	3.2
161.09578	1.2
161.13205	1.8
165.05476	3.5
166.04977	1.3
166.08629	1.4
167.05495	1.2
168.67230	1.0
171.04393	4.2
171.08134	1.2
172.03949	3.2
173.06071	1.5
173.13264	2.6
175.07529	8.5
176.04688	1.4
177.09154	1.2
177.67334	1.0
187.07524	2.2
189.05460	4.0
189.09099	8.8
191.07065	7.6
191.14265	1.4
203.07027	28.4
204.06529	5.5
205.08592	42.9
206.09027	2.3
209.13281	1.1
209.15382	3.2
215.07031	4.2
219.08095	1.6
221.08122	2.9
227.16461	1.5
233.08087	22.2
243.06502	4.5
247.07437	1.6
249.08977	2.2
251.09135	4.1
255.06577	1.6
255.11412	1.8
261.09210	2.8
271.06073	4.5
273.12152	1.6
279.10114	3.2
283.10596	2.0
285.07565	2.8
286.08331	20.0
289.08493	1.5
295.09668	2.4
297.11279	1.6
299.06268	1.6
300.06329	3.9
301.11829	7.1
307.09686	2.4
309.11163	2.5
311.12680	1.6
312.10001	1.7
321.11130	5.9
327.12247	6.5
339.12225	8.9
343.12827	5.1
345.13135	1.9
357.13306	42.1
358.13339	1.3
375.14471	9.4
393.24265	1.6
411.25439	2.5
429.26300	4.8
447.27435	4.0
525.55322	1.2
537.24341	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.1
55.01873	5.1
57.03434	8.5
60.84867	2.1
61.02917	3.0
67.05498	3.6
68.26588	2.0
69.03423	11.0
70.35687	2.0
70.39777	6.3
71.04991	3.0
73.02902	12.9
73.04732	2.5
79.05492	5.6
81.03417	72.9
81.07059	8.2
83.04984	2.8
85.02909	20.2
85.06494	2.3
91.05459	5.5
93.07030	5.5
95.04983	4.1
95.08608	5.7
97.02893	8.0
98.23200	2.5
99.04469	2.3
105.07040	5.5
107.08587	7.5
109.06525	6.8
109.10179	4.9
111.04455	2.3
115.03899	4.5
115.05412	2.6
117.07035	3.0
119.08567	7.0
120.08913	4.2
121.10117	5.7
122.03660	2.9
123.08062	42.9
123.11662	2.4
124.08387	14.4
127.03909	5.0
128.06204	2.4
129.07024	11.7
130.35118	2.1
131.08565	2.7
133.04950	3.8
133.10162	4.1
137.05974	72.7
137.09615	4.8
139.11142	2.5
141.05498	2.6
145.04980	2.5
147.07930	3.6
151.03903	100.0
151.04990	7.1
151.11218	3.8
157.06505	15.9
161.06015	6.6
161.09703	4.6
161.13229	3.3
162.09889	3.3
163.07538	2.3
165.09117	3.9
171.04373	3.0
175.07550	5.6
179.14334	2.9
181.12233	5.2
187.07588	4.3
189.09109	10.9
191.07045	4.2
203.07010	15.2
205.08609	43.7
207.13861	4.3
208.10454	5.7
208.14189	6.6
209.15309	5.3
221.08163	2.8
225.11203	3.3
225.14836	12.0
226.11623	4.5
226.15215	12.6
227.16341	3.6
233.08063	9.6
244.80614	2.9
251.09093	3.2
271.05991	3.2
279.10330	2.7
286.08429	8.1
311.12747	2.5
327.12241	6.5
339.12250	7.8
341.13721	2.5
345.13199	2.7
357.13284	19.9
359.14847	3.4
375.14331	3.9
456.14163	2.4
521.27106	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03188	1.0
53.03943	4.0
55.01865	3.7
55.05500	2.1
57.03446	1.4
58.94183	1.1
63.77022	1.0
65.03931	2.5
67.05492	7.1
68.99784	4.7
69.00209	7.3
69.03433	2.6
69.07082	1.3
71.04995	8.2
73.04755	1.4
74.21183	1.0
76.02184	1.0
79.05482	5.9
81.03419	58.8
81.07050	6.0
83.04996	1.2
85.02895	7.5
85.06524	2.9
87.04454	1.3
90.56715	1.0
91.00663	1.0
91.05413	6.9
93.07037	6.1
94.04151	2.0
95.04967	3.6
95.08603	3.4
97.02898	1.9
97.06543	6.4
97.53741	1.2
103.05464	1.3
105.07014	6.7
107.04966	2.6
107.08601	4.4
108.02096	2.4
109.06516	3.0
109.10144	2.4
111.04453	2.1
111.08051	1.6
115.05473	4.5
117.07009	3.2
119.04961	1.0
119.08595	3.8
120.04469	1.0
121.06507	3.6
121.10152	4.5
122.03641	4.4
123.08092	2.1
127.03916	1.8
128.06201	3.8
129.07001	12.6
131.04929	2.3
131.08553	2.8
133.10100	3.7
135.04466	1.3
137.05980	84.3
137.09572	1.8
138.06305	1.1
141.05476	2.2
143.04898	5.0
143.08510	1.4
145.06468	4.5
145.10123	2.5
147.04419	1.6
147.08032	3.0
147.11700	1.8
148.03937	11.1
149.05936	1.2
149.09599	1.7
150.09996	1.0
151.03909	100.0
151.05002	9.9
152.04260	2.3
153.05479	1.2
157.06474	15.4
157.10138	2.2
159.11694	1.6
160.05183	2.0
161.06007	3.2
161.09578	1.2
161.13205	1.8
165.05476	3.5
166.04977	1.3
166.08629	1.4
167.05495	1.2
168.67230	1.0
171.04393	4.2
171.08134	1.2
172.03949	3.2
173.06071	1.5
173.13264	2.6
175.07529	8.5
176.04688	1.4
177.09154	1.2
177.67334	1.0
187.07524	2.2
189.05460	4.0
189.09099	8.8
191.07065	7.6
191.14265	1.4
203.07027	28.4
204.06529	5.5
205.08592	42.9
206.09027	2.3
209.13281	1.1
209.15382	3.2
215.07031	4.2
219.08095	1.6
221.08122	2.9
227.16461	1.5
233.08087	22.2
243.06502	4.5
247.07437	1.6
249.08977	2.2
251.09135	4.1
255.06577	1.6
255.11412	1.8
261.09210	2.8
271.06073	4.5
273.12152	1.6
279.10114	3.2
283.10596	2.0
285.07565	2.8
286.08331	20.0
289.08493	1.5
295.09668	2.4
297.11279	1.6
299.06268	1.6
300.06329	3.9
301.11829	7.1
307.09686	2.4
309.11163	2.5
311.12680	1.6
312.10001	1.7
321.11130	5.9
327.12247	6.5
339.12225	8.9
343.12827	5.1
345.13135	1.9
357.13306	42.1
358.13339	1.3
375.14471	9.4
393.24265	1.6
411.25439	2.5
429.26300	4.8
447.27435	4.0
525.55322	1.2
537.24341	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
53.80681	1.3
55.01870	16.5
55.05497	2.5
57.03437	28.5
59.04985	2.1
61.02929	15.2
67.05510	2.2
68.12431	1.5
69.03426	33.9
69.07071	2.1
69.10422	13.8
71.01343	7.8
71.04995	4.7
73.02514	2.1
73.02918	41.5
73.04778	2.5
79.05499	2.7
80.24506	1.4
81.03418	7.4
81.07053	3.6
82.38839	1.4
85.02905	100.0
86.03272	1.7
87.04487	5.4
91.03960	5.5
91.05485	3.1
92.05057	1.5
93.03410	1.6
93.07039	3.9
95.04987	2.6
95.08620	4.3
97.02895	52.1
98.22626	3.7
99.04430	3.3
103.03957	3.9
105.06992	3.6
107.08602	3.0
109.02884	5.9
109.06491	2.9
109.10168	2.3
115.03938	31.2
115.05617	2.0
119.08603	4.4
121.10136	2.3
123.04445	1.8
125.20271	1.5
127.03916	30.9
129.07076	1.5
131.08504	1.5
132.06572	4.7
133.04959	43.5
133.10211	1.7
135.04424	2.8
137.05983	5.3
145.04948	49.1
145.10173	2.1
147.08000	2.5
147.11725	2.1
150.07619	9.7
153.07037	3.6
157.05257	3.6
159.11613	2.1
161.13222	1.7
163.06052	14.8
167.05727	2.1
167.07089	3.5
171.08086	5.3
175.07539	2.0
181.06540	5.5
183.08224	1.6
193.05037	3.0
199.07585	10.1
208.07518	3.0
223.05977	4.1
241.07109	4.9
250.08554	11.3
259.08121	6.1
265.08612	2.9
279.17270	1.9
295.10208	1.9
299.06210	4.3
300.06119	2.6
309.11340	2.0
340.11844	5.2
341.13937	2.5
343.11780	2.9
353.26550	2.0
358.12939	14.0
370.12741	2.2
375.21506	4.5
377.26224	1.8
388.13815	2.4
425.26849	3.3
443.27835	5.2
461.29056	2.7
537.27069	5.5
537.34436	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13188	1.3
69.32561	8.8
73.42723	1.2
75.69878	1.2
92.63722	1.2
98.22585	2.3
100.54821	1.5
101.58678	1.3
171.08186	1.4
195.08092	1.6
207.08127	2.1
209.05981	1.8
223.07538	1.4
224.08296	1.4
226.06267	2.1
227.07018	3.5
235.07680	1.5
239.07019	3.4
239.10664	3.4
240.07843	1.9
241.08522	3.1
242.09251	1.6
249.09077	2.9
251.07153	3.5
252.07846	2.5
253.08525	2.6
255.06575	3.6
255.10086	3.1
256.07254	2.7
257.08121	1.9
264.07861	2.3
265.08585	4.2
266.09384	1.8
267.06577	2.3
267.10187	6.7
268.07367	3.1
268.10907	2.8
269.08115	7.7
269.11768	1.3
270.08804	2.8
271.06088	2.7
271.09827	2.3
278.09457	3.6
279.06766	2.9
279.10226	6.0
280.07278	4.0
280.10901	2.2
281.08093	3.9
281.11774	3.7
282.08990	3.3
282.12485	4.1
283.06433	1.6
283.09634	7.3
283.12909	1.9
284.06918	8.1
284.09814	2.1
285.07663	6.2
293.08328	1.9
293.11411	2.6
294.08978	2.3
295.06326	2.4
295.09650	15.1
296.07047	2.8
296.10202	3.0
297.07571	7.9
297.11255	5.4
298.08368	4.6
298.11844	2.2
299.06033	2.3
299.09140	14.8
300.06409	3.2
300.09906	8.5
301.10696	3.5
308.10391	1.6
309.07742	2.4
309.10959	7.1
310.08353	5.1
310.12015	16.8
311.09094	10.1
311.12790	5.9
312.06628	2.4
312.09918	10.4
313.06979	4.0
313.10641	10.8
313.14371	4.4
314.11365	2.8
315.08612	6.1
315.11975	3.1
320.10602	2.6
321.11096	4.4
323.12628	1.6
325.10712	22.9
326.07834	2.8
326.11374	20.0
327.08600	10.1
327.12094	4.0
328.05991	1.7
328.09457	5.5
329.10278	4.8
330.11084	2.2
335.12753	2.6
339.12286	2.9
340.13049	37.5
341.10123	15.9
341.13867	19.8
342.10968	25.1
342.14703	2.5
343.07983	3.0
343.11700	5.6
351.12350	10.8
353.13953	2.0
356.12582	23.2
357.13120	4.0
358.10422	7.1
366.14590	13.8
367.15472	2.0
368.12442	1.8
371.14883	43.6
372.15179	3.5
373.12827	21.6
374.13531	1.8
383.14642	12.0
384.15689	9.5
397.16675	6.4
415.17548	84.8
416.17596	5.9
437.15723	100.0
438.16028	6.1
449.26498	1.8
537.20856	34.5
537.27905	3.6
538.21387	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2096
Annotation	Gomisin G
Peak:m/z	Relative Intensity
59.05005	1.0
67.05509	0.9
69.05703	6.8
73.04786	0.9
75.04482	1.0
81.07080	1.1
91.05817	1.2
95.08614	1.2
105.03416	2.6
167.05580	1.2
181.06500	1.0
207.08289	0.9
209.09683	0.9
210.06769	1.0
211.07503	0.9
224.08438	1.2
225.09045	1.1
226.06454	1.2
227.07085	2.2
233.62814	0.9
235.07552	2.1
236.08305	1.2
237.09201	1.8
238.06131	0.9
239.07080	1.7
239.10718	1.8
241.08600	3.5
247.07590	1.5
249.09108	1.7
251.07141	1.7
252.07870	2.6
253.08632	2.1
254.05780	1.4
254.09428	1.8
255.06528	3.0
255.10303	1.9
256.07236	1.8
257.08194	1.7
263.07101	1.6
263.10760	0.9
265.08649	3.1
265.12354	1.1
266.09488	1.6
267.06680	2.3
267.10229	4.3
267.12729	0.9
268.07306	1.5
269.08203	5.0
269.11679	1.9
270.09027	2.0
271.06070	1.5
271.09625	2.1
277.08673	1.5
278.09421	2.6
279.06540	1.0
279.10251	2.4
280.07565	1.6
280.11032	2.4
281.08185	2.8
281.11539	1.2
282.08914	3.2
282.12640	2.2
283.06247	1.6
283.09686	3.0
284.06796	5.2
284.10205	0.9
285.07590	3.7
285.10861	1.1
291.10193	1.2
293.08408	1.5
293.11874	2.3
294.08917	2.4
295.09763	6.0
295.12860	1.2
296.10391	1.7
297.07593	6.3
297.11249	6.2
298.08319	3.3
299.05933	2.8
299.09213	9.5
299.12399	1.5
300.06287	3.7
300.09991	4.4
301.10501	1.8
305.08084	1.0
307.09796	1.4
308.14120	1.1
309.07831	1.8
309.11310	4.4
310.08414	2.2
310.12036	4.0
311.09189	3.2
311.12827	4.0
312.06400	1.9
312.09979	12.5
312.13623	2.5
313.07050	1.6
313.10703	6.3
314.11472	2.2
315.08664	2.5
315.12234	1.8
320.10281	1.0
321.11343	3.6
322.12296	0.9
325.10760	11.1
325.14288	0.7
326.07947	1.3
326.11401	3.3
327.08664	7.1
327.12280	1.8
328.09326	2.3
328.13123	3.6
329.10223	3.8
330.10889	1.2
335.12677	1.3
336.13568	1.9
337.10709	1.9
339.12192	1.6
340.08981	1.3
340.13049	23.0
341.10098	4.0
341.13779	6.4
342.11029	14.2
342.14789	1.7
343.07864	1.1
343.11786	9.9
343.15518	2.3
351.12283	5.3
352.12717	1.1
354.14694	1.2
355.11713	2.8
356.12543	4.2
358.10669	3.2
366.14676	6.6
367.15469	3.3
371.14896	28.1
372.15350	2.4
373.12927	8.5
382.14386	1.7
384.15643	2.3
385.16464	10.9
397.16437	5.7
399.14389	3.3
415.17532	32.6
416.18036	2.2
437.15710	53.9
438.16049	4.8
536.50354	1.8
537.20947	100.0
538.21100	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46358	0.4
59.04988	0.6
71.31770	0.6
73.04768	0.7
75.04481	0.7
81.07026	0.7
91.05830	0.8
96.71309	0.5
105.03403	1.5
123.04204	1.4
139.91844	0.6
167.05577	1.8
199.07460	0.7
207.08089	0.7
209.06020	0.6
211.07579	1.5
213.09207	0.9
223.07602	1.1
224.08374	0.7
225.09158	0.9
226.06273	0.9
227.07036	1.7
229.08592	0.5
235.07530	1.2
237.05467	0.6
237.09013	1.0
239.06970	1.5
239.10773	0.7
240.07733	0.9
241.04910	0.7
241.08656	2.2
242.09265	0.6
249.09148	1.7
251.07071	1.4
253.08644	1.6
254.05766	1.0
254.09389	1.7
255.06537	1.7
255.10147	1.2
256.07361	1.9
257.08020	0.9
262.09912	0.6
263.07132	1.1
264.07751	0.6
264.17422	0.5
265.05203	0.6
265.08588	2.0
266.05688	0.5
266.09348	0.9
266.99734	0.6
267.06573	1.5
267.10156	3.6
267.83069	0.6
268.07349	1.7
268.10861	1.0
269.08105	3.7
269.11789	0.9
270.08923	1.3
271.06259	0.7
271.09665	1.6
278.09442	0.7
279.06934	0.6
279.10172	2.1
280.07364	0.6
280.10889	0.9
281.08148	2.5
281.11618	1.8
282.05563	0.6
282.08899	2.1
282.12332	1.1
283.06085	1.4
283.09671	2.0
283.13220	0.9
284.06824	3.6
284.10062	0.9
285.07635	3.3
285.11102	0.8
286.08182	0.7
291.10123	1.3
292.11182	0.6
293.08194	1.5
293.11722	2.4
294.08798	1.0
295.06287	1.2
295.09518	5.0
296.07050	1.1
296.10513	1.8
297.07617	6.1
297.11237	4.2
298.08240	1.8
298.11908	0.9
299.05939	2.7
299.09222	8.2
300.06281	3.4
300.10013	3.0
307.09753	0.9
308.10440	1.3
309.07614	1.5
309.11276	2.6
310.08426	1.8
310.12012	3.8
311.09082	1.6
311.12830	3.5
312.06464	1.2
312.09952	9.0
312.13428	1.2
313.07275	0.9
313.10666	4.3
313.14136	0.9
314.11343	1.6
315.08585	1.7
315.12048	1.0
320.10315	1.1
321.11240	3.6
323.12704	0.6
324.09927	0.9
325.10693	7.7
325.14157	1.1
326.07840	1.1
326.11563	1.4
327.08649	5.4
327.12289	1.2
328.09375	1.5
328.13046	2.9
329.10223	2.1
330.10928	1.2
331.11737	1.5
335.12717	0.9
337.10751	1.4
339.12210	1.6
339.15872	0.9
340.13052	15.5
341.10205	1.5
341.13803	4.1
342.10965	7.5
342.14655	0.8
343.08096	0.8
343.11801	7.3
343.15536	1.3
351.12299	4.7
352.13116	1.1
354.14474	1.1
355.11691	1.5
356.12427	2.7
357.09448	0.8
357.13422	1.1
358.10504	1.1
366.14624	5.9
367.15527	2.8
371.14871	15.9
371.19287	1.1
372.15424	0.7
373.12701	4.7
382.14169	1.0
383.14590	0.6
384.15656	2.8
385.16507	9.1
386.16797	0.8
397.16580	4.4
399.14429	1.5
415.17508	18.0
416.17767	1.0
437.15720	45.5
438.16052	2.9
455.16138	0.6
475.25980	1.0
478.18320	0.8
537.20923	100.0
538.21265	8.8
538.28894	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
53.80681	1.3
55.01870	16.5
55.05497	2.5
57.03437	28.5
59.04985	2.1
61.02929	15.2
67.05510	2.2
68.12431	1.5
69.03426	33.9
69.07071	2.1
69.10422	13.8
71.01343	7.8
71.04995	4.7
73.02514	2.1
73.02918	41.5
73.04778	2.5
79.05499	2.7
80.24506	1.4
81.03418	7.4
81.07053	3.6
82.38839	1.4
85.02905	100.0
86.03272	1.7
87.04487	5.4
91.03960	5.5
91.05485	3.1
92.05057	1.5
93.03410	1.6
93.07039	3.9
95.04987	2.6
95.08620	4.3
97.02895	52.1
98.22626	3.7
99.04430	3.3
103.03957	3.9
105.06992	3.6
107.08602	3.0
109.02884	5.9
109.06491	2.9
109.10168	2.3
115.03938	31.2
115.05617	2.0
119.08603	4.4
121.10136	2.3
123.04445	1.8
125.20271	1.5
127.03916	30.9
129.07076	1.5
131.08504	1.5
132.06572	4.7
133.04959	43.5
133.10211	1.7
135.04424	2.8
137.05983	5.3
145.04948	49.1
145.10173	2.1
147.08000	2.5
147.11725	2.1
150.07619	9.7
153.07037	3.6
157.05257	3.6
159.11613	2.1
161.13222	1.7
163.06052	14.8
167.05727	2.1
167.07089	3.5
171.08086	5.3
175.07539	2.0
181.06540	5.5
183.08224	1.6
193.05037	3.0
199.07585	10.1
208.07518	3.0
223.05977	4.1
241.07109	4.9
250.08554	11.3
259.08121	6.1
265.08612	2.9
279.17270	1.9
295.10208	1.9
299.06210	4.3
300.06119	2.6
309.11340	2.0
340.11844	5.2
341.13937	2.5
343.11780	2.9
353.26550	2.0
358.12939	14.0
370.12741	2.2
375.21506	4.5
377.26224	1.8
388.13815	2.4
425.26849	3.3
443.27835	5.2
461.29056	2.7
537.27069	5.5
537.34436	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2458
Annotation	Saucerneol D
Peak:m/z	Relative Intensity
52.54398	0.4
58.87568	0.4
66.76371	0.4
67.05500	0.4
69.78184	1.4
69.78545	0.8
72.26912	0.4
73.04740	0.8
79.05482	0.5
81.07027	0.9
82.78356	0.4
91.05778	1.0
98.23320	0.8
102.78454	0.4
105.06975	1.0
107.04978	0.5
107.08548	0.5
121.06440	0.5
128.03021	0.4
139.78696	0.4
140.24570	0.4
167.05508	1.0
168.52933	0.4
196.12459	0.6
237.55782	0.5
243.09637	0.4
275.75461	0.4
299.05872	1.9
300.05862	1.4
345.97305	0.6
367.18396	1.8
381.16479	0.5
399.16663	0.5
416.03036	0.5
447.20297	0.5
461.22406	0.9
463.24582	2.8
475.23477	2.4
491.23337	1.7
493.24384	1.2
501.25388	0.9
501.32193	0.5
519.00549	0.5
519.27234	4.1
525.03906	0.5
537.24054	100.0
538.17267	0.5
538.24457	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.4
65.22744	0.2
65.51254	0.2
69.25437	1.2
69.25851	0.5
73.04720	0.3
83.04984	0.8
105.03396	0.6
150.03864	0.2
215.05795	0.2
274.11606	0.3
299.06302	0.3
416.03940	0.3
519.25769	0.3
537.26123	100.0
538.26434	8.6
538.34436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2612
Annotation	Asukamycin E-II
Peak:m/z	Relative Intensity
50.28308	0.4
55.24832	0.4
66.30043	0.4
69.22907	0.4
78.70834	0.4
87.13296	0.4
102.19840	0.5
134.89197	0.3
159.00691	0.4
183.42554	0.4
299.06516	0.7
310.27243	0.4
435.22137	1.1
461.02960	0.5
519.24872	1.9
537.26123	100.0
538.26471	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2615
Annotation	Asn Glu Phe Lys
Peak:m/z	Relative Intensity
56.96560	0.9
67.54164	0.6
71.31689	0.8
73.04748	1.1
82.43035	0.7
86.09713	0.8
91.05807	1.0
104.10724	1.5
105.03383	1.5
121.61855	0.7
150.04524	0.8
167.05495	1.6
184.07355	1.7
227.94666	0.8
299.06085	1.4
300.06085	2.0
344.97482	1.1
455.20358	3.0
455.32870	0.8
500.99384	0.8
519.26239	3.6
537.26440	100.0
538.26459	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39556	0.3
53.03954	0.4
55.05505	0.4
57.99445	0.3
67.05502	0.8
69.07066	0.3
70.57811	0.3
70.58128	0.5
73.04740	0.3
81.07050	0.5
91.05823	0.5
93.07055	0.5
95.04967	0.5
95.08627	0.5
99.09337	0.3
105.03390	4.4
107.62691	0.3
109.10147	0.4
111.00559	0.3
119.08613	0.4
123.08205	0.3
141.50182	0.2
145.10091	0.3
147.11687	0.4
159.11745	0.3
165.74408	0.3
167.05605	0.5
196.76221	0.3
254.84532	0.3
262.54990	0.3
299.06244	0.9
300.06262	1.0
300.28540	0.3
342.10568	0.3
351.19434	0.4
365.23032	0.4
371.14783	0.3
390.75952	0.3
405.27676	0.8
405.35559	0.4
407.25534	14.9
408.25977	1.1
415.17911	0.4
421.27261	0.9
431.25809	0.8
437.15695	1.2
440.30646	0.3
447.25146	0.3
449.26639	8.6
450.27008	0.9
457.27176	1.3
475.28140	3.5
477.26239	0.6
485.96390	0.3
493.29239	0.7
519.27087	1.3
537.28217	100.0
538.28540	11.4
551.37000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2821
Annotation	Longipedlactone J
Peak:m/z	Relative Intensity
55.05508	0.6
71.31306	0.7
74.19399	0.4
77.40844	0.4
81.07082	0.4
83.37495	0.4
98.22542	0.4
104.10765	0.8
105.03379	0.9
109.10194	0.4
139.79930	0.5
159.81551	0.4
167.05476	0.5
250.89865	0.4
299.06131	0.7
300.06360	0.9
341.49670	0.4
349.21469	1.2
383.18347	0.7
405.27652	6.9
406.28006	0.5
407.25555	43.4
408.25876	3.5
409.23526	0.8
421.27148	24.2
422.27567	2.4
431.29376	0.7
443.04099	0.5
447.25067	3.7
449.26633	35.9
450.26941	3.5
467.27097	0.6
475.28146	10.0
476.28656	1.4
477.26370	1.0
493.29279	5.0
519.27252	5.5
529.60205	0.5
537.28271	100.0
538.28650	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
61.62270	1.2
69.81112	1.2
73.04764	2.2
80.27679	1.2
84.73393	1.2
104.99267	1.9
105.03386	3.3
116.35870	1.1
121.06585	1.4
163.07483	1.4
169.06499	1.5
169.99615	1.3
177.38817	1.1
181.06541	1.4
199.07498	1.5
207.08165	1.8
210.06708	1.4
211.07587	2.8
213.05045	1.1
213.09218	1.7
223.07497	2.2
225.05421	2.1
225.09123	2.2
226.06361	1.4
227.07089	3.6
227.10703	1.3
233.09587	1.2
235.07460	2.0
236.08293	1.7
237.05376	1.8
238.06282	1.3
239.07014	2.5
239.10555	3.6
240.07753	4.5
241.04938	1.5
241.08630	4.3
242.09190	2.0
247.07492	1.9
248.08434	1.3
249.09134	1.7
250.06302	1.6
250.09827	2.4
251.07054	3.5
252.07845	3.4
252.11542	1.5
253.08652	3.8
254.05730	3.6
254.09329	3.6
255.06523	4.8
255.10252	4.3
256.07275	1.8
256.35294	1.2
257.08014	2.8
258.09048	1.6
262.09943	2.3
263.07117	2.3
263.10736	1.5
264.07938	2.0
265.08466	5.6
266.09256	2.9
267.06570	3.8
267.10147	9.9
267.99866	1.3
268.07214	4.5
268.10815	3.1
269.08105	8.2
269.10770	1.1
269.11926	1.3
270.05325	1.2
270.08823	2.1
271.06015	2.9
271.09540	1.6
273.11276	1.5
277.08572	3.2
278.09351	4.5
279.06793	2.1
279.10141	6.6
280.07343	4.1
280.10782	2.3
281.08051	5.7
281.11646	2.9
282.08835	5.2
282.12540	4.1
283.06158	2.4
283.09662	9.5
283.12689	2.2
284.06796	8.4
284.10074	2.2
285.07593	8.2
286.08096	2.2
292.10901	2.0
293.08163	4.7
293.11673	3.5
294.08752	3.1
295.06195	1.3
295.09589	19.6
296.06802	3.3
296.10349	3.4
297.07562	7.3
297.11246	8.6
298.08331	7.9
298.11600	2.4
299.05768	3.3
299.09137	17.7
299.12326	2.2
300.06232	6.7
300.09842	8.7
301.10617	3.3
305.08167	1.7
307.09619	1.8
309.07532	4.5
309.11169	7.4
310.08304	3.8
310.11862	17.3
311.05646	1.9
311.09119	10.7
311.12686	5.1
312.06363	2.8
312.09869	12.3
312.13367	2.2
313.07034	2.6
313.10651	11.4
313.14340	4.1
314.07867	2.1
314.11276	3.0
315.08618	6.9
315.12335	4.5
320.10352	2.9
321.07779	1.3
321.11200	4.8
323.09164	1.9
323.12723	1.9
324.09836	1.8
325.10742	23.3
325.14478	1.9
326.07892	2.8
326.11426	21.0
327.08600	12.4
327.12219	3.3
328.09192	6.4
329.10236	7.0
331.11847	1.5
335.12833	2.9
336.13599	1.7
337.10461	1.4
339.12338	3.9
340.08936	2.6
340.13034	42.2
341.10110	19.2
341.13809	29.4
342.10907	27.2
342.14597	2.8
343.07980	3.0
343.11697	9.8
345.12808	1.6
351.12167	11.0
351.18863	1.7
352.13022	2.3
353.13718	1.8
355.11548	1.5
356.12521	26.1
357.13083	6.5
358.10358	8.1
366.14587	12.4
367.11392	1.8
367.15280	1.6
368.12531	2.1
369.13043	3.8
371.14853	46.7
372.15204	4.0
373.12766	26.2
374.13443	1.7
383.14890	11.2
384.15656	10.9
385.16202	2.1
397.16666	7.4
400.15131	1.7
405.27682	1.8
407.25461	17.0
415.17496	88.4
416.17780	9.3
421.27121	21.6
422.27698	2.2
437.15717	100.0
438.15964	10.1
447.24835	2.6
449.26724	22.2
450.26495	2.1
475.28131	4.6
493.29037	5.4
519.26721	2.4
537.20740	41.4
537.27997	73.6
538.20898	6.6
538.28333	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2826
Annotation	Longirostrerone A
Peak:m/z	Relative Intensity
55.05496	0.3
67.05494	0.3
71.31059	0.3
73.04774	0.6
79.05475	0.3
81.07070	0.6
83.04980	0.4
91.05822	1.1
93.07051	0.4
95.08604	0.6
105.07027	0.5
107.08613	0.4
109.10165	0.3
112.12833	0.3
119.08603	0.4
121.10174	0.4
131.08565	0.4
143.08601	0.4
167.05620	1.1
168.05461	0.3
171.11774	0.4
236.37643	0.3
299.06207	1.0
300.06256	1.5
301.05908	0.4
349.18112	0.3
367.18826	0.8
383.18228	5.5
383.22937	0.4
416.03540	0.4
417.24228	1.4
457.27255	1.1
461.22464	0.4
475.28214	2.2
479.24042	1.0
493.29126	1.2
501.26120	0.8
519.27185	11.1
520.27142	1.5
537.28271	100.0
538.28668	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2828
Annotation	Longirostrerone A
Peak:m/z	Relative Intensity
71.31741	0.5
73.04776	1.4
73.11148	0.4
81.07077	0.5
87.60860	0.4
87.63884	0.4
91.05817	4.2
95.04984	0.6
95.08639	0.4
105.03374	1.2
105.04005	0.5
114.32420	0.4
116.32713	0.5
119.08584	0.5
137.06038	1.2
147.46509	0.6
149.04483	0.6
161.05956	1.0
167.05536	3.5
168.05606	1.3
176.28893	0.5
177.05550	0.6
212.18573	0.5
219.10258	0.7
225.04309	0.5
239.09511	0.6
267.00037	0.7
268.00201	0.7
274.59790	0.5
281.18799	0.5
281.95486	0.4
283.03107	0.6
284.03125	0.7
299.06149	4.3
300.06287	4.4
301.06018	1.1
335.09558	1.1
344.97748	0.7
345.97498	0.6
359.02655	0.5
399.23138	1.5
416.03763	1.0
417.18484	1.0
417.24036	19.0
417.29468	1.0
418.24359	1.6
457.27267	1.3
461.22882	2.2
475.28156	1.3
479.24133	8.4
480.24292	0.9
501.26135	0.9
519.27185	8.2
537.28143	100.0
538.28510	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2826
Annotation	Longirostrerone A
Peak:m/z	Relative Intensity
50.44446	0.3
55.05508	0.4
58.15807	0.3
67.05498	0.5
71.31126	0.3
73.04744	0.7
79.05498	0.4
80.63480	0.3
81.07061	0.5
91.05882	0.5
93.07027	0.6
95.04966	0.5
99.97767	0.4
105.07048	0.5
109.10184	0.5
114.11821	0.3
119.08575	0.5
121.10204	0.5
122.33147	0.4
123.04426	0.4
133.02603	0.4
134.06056	0.4
137.06021	1.6
142.39174	0.3
145.10132	0.4
147.08043	0.4
149.04675	0.8
153.05461	0.4
160.03925	0.7
162.05501	3.8
163.07561	0.3
167.05562	0.9
175.06313	1.5
192.08987	1.5
223.05783	0.5
299.06125	1.6
300.06302	1.3
301.05988	0.6
315.33405	0.4
335.38306	0.4
337.27335	0.4
344.98151	0.4
353.26773	1.3
375.21582	0.9
383.18307	2.7
457.27216	5.2
458.27051	0.6
475.28201	4.5
483.25424	0.5
493.29321	3.6
501.26135	6.2
519.27216	10.9
520.27368	1.1
520.35730	0.6
537.28168	100.0
538.28619	12.8
538.36487	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2822
Annotation	Longirostrerone A
Peak:m/z	Relative Intensity
55.69613	0.3
57.10508	0.3
70.45827	0.9
74.51070	0.3
82.80664	0.3
89.79099	0.3
91.05843	0.3
102.05477	0.3
174.52402	0.3
208.69431	0.3
297.07608	0.5
300.06201	0.4
317.46011	0.3
321.18561	0.4
341.32669	0.3
379.19003	0.5
383.17999	0.5
401.20477	0.4
457.27142	2.3
461.22968	1.6
475.28625	1.4
479.24008	1.4
493.29214	0.4
501.26129	1.6
502.26303	0.3
519.27142	10.9
520.27563	1.0
537.28229	100.0
538.28577	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.7
67.78275	0.7
68.50613	0.5
68.51651	0.6
70.23032	2.1
73.04752	1.1
79.05510	0.8
81.07065	1.2
83.92065	0.6
95.08627	0.8
98.23292	0.7
103.01522	0.6
105.03387	1.0
115.05478	0.7
120.50067	0.7
126.20962	0.7
126.21809	0.8
131.08635	0.7
133.02629	1.1
133.10130	0.9
145.10130	0.9
167.05542	1.8
237.69357	0.6
299.06128	1.9
300.06305	2.1
310.50262	0.7
323.09262	0.9
372.20764	4.0
372.25098	0.8
373.21002	1.1
383.19772	1.8
387.22858	1.6
398.22202	4.2
399.22983	3.0
401.20816	5.2
416.23044	4.6
417.23962	18.8
418.24066	1.3
431.25528	7.5
437.12540	0.8
439.26163	0.8
457.27185	6.1
458.28174	0.8
461.27148	1.4
475.28198	100.0
476.28448	11.1
479.24072	6.8
480.24048	0.7
493.28842	1.0
501.25674	0.7
519.27228	10.7
520.27319	1.7
537.28326	97.0
538.28717	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.282
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08171	0.8
63.29682	0.5
66.70267	0.4
67.85017	0.4
70.04953	1.0
70.05339	1.3
73.04766	2.0
75.64433	0.4
79.05479	0.6
86.09713	3.1
87.10058	0.8
91.05812	3.0
105.74946	0.5
107.08647	0.6
111.60709	0.5
125.00011	2.3
167.05525	3.3
168.05676	0.6
174.14024	0.5
177.05519	0.5
184.07355	7.4
185.07738	2.1
217.46219	0.6
232.87752	0.5
253.55360	0.5
266.99869	0.6
283.03134	0.9
284.03256	0.8
299.06192	4.2
300.06323	5.1
332.09967	0.5
344.97821	1.0
345.97644	1.0
404.48459	0.6
416.04114	1.2
449.26996	0.6
451.28619	0.7
457.27524	1.2
475.28168	3.1
476.28827	0.8
493.29263	7.0
494.29672	0.7
519.27289	2.4
537.28015	100.0
538.28143	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05537	0.3
60.08143	0.3
67.05510	0.3
69.22050	0.8
69.22466	1.2
71.07379	0.3
79.05514	0.3
86.09707	2.0
87.10047	0.4
98.22602	0.5
98.98470	0.3
109.10202	0.2
110.23672	0.3
124.99997	1.6
184.07318	5.6
185.07693	1.4
230.56973	0.2
314.10178	0.2
368.23102	0.4
449.26755	0.6
451.28235	0.7
457.27240	0.4
475.28247	2.1
476.28406	0.3
477.26047	0.9
493.29306	7.0
494.29413	0.4
519.26782	1.2
537.28210	100.0
538.28485	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3033
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
63.14180	0.2
67.05534	0.3
69.10391	2.0
75.23547	0.2
80.75355	0.2
81.07044	0.3
87.72048	0.2
95.04963	0.3
95.08634	0.2
109.67371	0.2
146.91479	0.2
185.04227	0.4
203.05333	0.5
259.07980	0.5
265.08420	0.2
272.76993	0.2
279.64438	0.2
301.20139	0.3
337.85602	0.2
364.00595	0.2
375.24878	0.2
399.14383	0.4
407.25742	0.4
449.26709	0.5
530.84674	0.2
537.30402	100.0
538.30780	7.9
538.62347	0.3
549.94556	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.0
55.05512	22.6
57.03438	12.3
57.07079	44.3
64.36605	2.5
65.03930	4.0
67.05507	75.4
69.07068	20.4
71.05003	5.1
71.08629	35.2
71.30555	4.0
73.04736	2.4
73.42348	2.5
79.05495	76.6
81.03415	8.9
81.07061	57.9
83.04980	14.0
83.08617	20.5
85.06519	2.3
85.10177	17.4
91.05473	65.2
91.06006	4.1
93.07044	68.4
95.04966	20.5
95.08607	53.5
97.06519	5.1
97.10168	8.7
103.48058	2.2
105.04507	5.5
105.07024	45.0
107.04939	7.3
107.08570	18.9
109.06532	6.8
109.10147	17.5
111.08056	3.1
111.11698	3.2
117.07023	10.6
119.08576	27.4
121.10136	9.3
123.08064	7.1
123.11707	6.4
125.13202	3.5
128.06258	2.8
129.07007	16.9
131.08563	7.0
133.10117	14.8
134.22336	2.5
135.11693	4.2
143.08575	6.7
145.10127	10.0
147.08034	2.7
147.11700	48.4
161.09636	5.6
161.13240	13.7
168.05779	2.5
171.11659	34.8
189.12746	14.3
207.13835	36.6
239.23679	7.5
264.26825	2.3
281.17453	60.6
299.06091	3.4
300.06281	2.9
307.32745	2.5
313.27353	85.1
314.27625	5.8
388.34888	2.3
410.39209	2.2
490.85474	2.4
519.40430	100.0
520.40320	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.8
57.03421	2.7
57.07074	10.7
66.72552	2.3
67.05501	11.4
69.07068	6.6
71.08639	8.1
71.31134	3.1
74.20067	2.3
79.05482	13.5
81.07047	11.7
83.04984	2.4
83.08624	5.3
85.10201	4.5
91.05477	9.4
93.07068	12.7
95.04958	3.3
95.08615	8.1
105.07035	6.0
107.08622	4.6
119.08557	5.3
133.10202	2.2
146.83020	2.3
147.11684	6.4
167.05524	3.8
171.11728	4.5
177.71791	2.6
189.12770	2.9
207.13860	5.1
257.66000	2.5
281.17532	9.3
281.29462	23.0
282.27908	100.0
299.06165	4.5
299.30646	26.1
300.06207	4.5
313.27386	9.8
333.70282	2.4
341.29150	2.5
405.99106	2.8
495.17200	2.5
519.40271	14.4
537.53558	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	9.2
54.82237	2.1
55.01872	2.4
55.05513	26.9
57.03438	14.1
57.07079	49.3
65.03938	3.5
67.05504	62.9
69.03416	2.3
69.07071	22.3
69.27193	13.9
71.04988	3.7
71.08629	33.4
73.06509	2.2
79.05495	83.8
81.03424	8.8
81.07058	64.1
83.04979	17.8
83.08616	20.4
84.61311	1.7
85.06528	4.1
85.10183	17.5
88.07559	1.7
90.39883	1.8
91.05478	66.6
93.07048	68.4
94.07348	2.4
95.04974	15.0
95.08609	49.3
97.06513	4.1
97.10167	11.6
98.22806	6.8
105.04518	3.6
105.07032	43.9
107.04971	5.6
107.08598	16.0
109.06523	5.3
109.10161	15.0
111.08052	4.0
117.06999	7.9
117.22533	1.7
119.08574	24.0
121.10136	4.9
123.08073	6.3
123.11711	5.2
128.06256	1.9
129.06996	21.2
131.08575	3.9
133.10161	10.8
135.11752	3.6
143.08612	10.0
144.08868	1.9
145.10135	12.3
147.08099	2.8
147.11688	44.6
161.09631	6.8
161.13268	15.3
167.05530	2.5
171.11690	33.5
171.19667	1.9
189.12733	16.5
191.03099	1.8
207.13812	44.4
219.79359	1.9
225.14688	2.6
239.23730	5.0
281.17493	70.9
282.17703	2.9
299.06140	3.3
300.06119	2.2
313.27353	87.3
314.27682	3.2
417.92776	1.8
519.40479	100.0
520.40997	11.1
537.42090	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93500	3.6
63.87693	3.2
64.68176	3.8
66.61914	3.0
69.16285	31.8
73.04744	3.4
89.16886	3.5
100.73799	4.0
105.03392	21.2
141.87439	3.5
155.15446	3.2
245.80301	3.3
254.05414	4.7
267.10104	4.7
281.07767	4.3
281.10965	6.5
282.08624	5.4
283.12912	4.2
284.06628	5.4
284.09985	4.4
285.07336	4.8
295.09555	5.5
296.10043	5.7
298.08322	5.5
298.11920	3.7
299.09082	6.3
300.09668	6.3
301.05838	4.3
310.11829	7.2
311.12375	8.2
312.09656	5.9
313.06958	4.2
313.10260	8.3
314.10861	5.3
325.10638	7.5
326.11072	10.7
327.08472	4.3
327.11966	6.0
328.08936	7.6
329.09985	6.3
340.12814	8.8
341.09927	5.7
341.13510	21.7
342.10718	12.5
342.14294	11.0
343.11353	9.7
357.12897	12.7
367.15048	5.8
371.14914	10.4
372.15143	26.0
373.12650	10.0
374.13159	9.3
384.15192	8.8
385.16052	9.5
408.25931	13.0
415.17499	6.6
416.17706	16.8
450.26974	6.6
476.28070	5.4
538.20667	6.6
538.28613	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25742	10.3
50.62287	11.4
60.89453	11.0
61.28234	12.1
62.63717	9.6
71.32407	24.7
74.73925	9.6
75.16827	11.5
81.07034	14.3
105.03423	14.3
105.07044	13.8
107.08681	11.9
167.05641	13.3
220.08733	11.0
238.41573	12.6
299.06250	16.6
300.06070	25.9
301.06036	11.7
330.10922	14.3
347.37335	12.6
368.16138	24.2
399.18228	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
54.91552	1.0
56.63246	0.9
58.51375	1.0
60.29468	1.1
69.99041	1.0
70.58488	2.7
72.67526	0.9
73.45650	1.2
74.41311	1.0
78.31062	1.0
79.05512	5.6
85.02911	1.2
85.74677	0.9
91.05470	5.9
95.04981	1.7
103.05472	4.6
105.07050	3.4
107.04960	79.7
108.05317	1.8
115.05457	7.6
117.07027	2.5
119.04948	1.4
120.05768	1.1
121.06499	1.4
135.08064	7.4
143.08521	1.2
145.06516	1.7
145.07654	2.1
146.07283	3.9
147.07976	1.5
151.07555	1.7
155.39755	0.9
161.09697	2.2
162.06740	1.2
163.07549	100.0
164.07901	2.4
165.09116	2.0
171.08144	1.8
175.07597	2.7
177.09138	3.1
178.09883	28.5
188.08411	1.1
201.34526	1.2
203.10686	29.6
247.09468	1.0
250.41344	1.0
265.85516	1.0
341.17426	8.9
460.53967	1.2
478.29044	1.1
533.94727	1.2
538.25024	1.8
541.19202	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.7
53.03945	1.2
53.99932	0.6
69.03419	1.1
70.19250	1.4
70.19637	2.1
73.04771	1.0
79.05493	6.1
81.57458	0.6
85.02925	1.4
91.05463	5.0
93.07121	0.9
95.04971	3.0
103.05492	4.3
105.07025	5.1
107.04955	87.3
107.08543	0.8
108.05311	2.0
115.05452	5.0
117.07003	2.6
120.05740	1.9
121.06487	2.2
127.03893	0.7
131.04935	0.8
135.08058	8.9
137.05975	1.4
139.51350	0.6
142.01083	0.7
143.08539	0.9
145.06590	1.2
145.07617	2.2
146.07262	3.4
147.08096	3.1
151.07539	2.3
161.09637	3.2
162.06763	1.2
162.23563	0.7
163.07539	100.0
164.07898	2.8
165.09123	2.5
171.08037	1.6
175.07562	2.4
175.11256	0.8
177.09090	2.6
178.09892	27.7
179.10387	1.4
188.08263	1.3
193.04677	0.6
195.10133	2.9
203.10672	33.0
204.10934	0.8
213.52032	0.7
230.23462	0.6
297.49777	0.7
299.06180	0.8
301.05920	1.8
301.78558	0.7
309.14758	0.9
341.13696	1.0
341.17517	9.4
503.44336	0.7
520.27295	1.3
538.17224	1.5
538.28473	13.5
539.29095	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47136	1.3
53.03949	1.7
65.03948	3.9
69.03415	2.4
69.07068	2.1
70.87457	1.2
79.05505	5.0
81.07066	2.7
85.02911	7.9
91.05435	7.1
91.62067	1.3
93.03404	7.6
93.07041	1.9
94.04204	2.1
95.04980	2.4
95.08624	1.9
97.02930	1.6
97.10229	1.4
105.07038	12.4
105.76864	1.3
107.04964	5.6
108.05775	2.2
109.06564	2.1
111.04437	5.4
117.07026	1.7
119.04939	5.3
119.08571	2.5
121.06532	2.5
122.03659	3.3
124.05222	4.0
125.06016	9.7
128.06209	2.3
128.83466	1.3
131.04947	3.5
133.06494	10.4
134.06007	3.9
135.04413	2.9
135.08006	2.6
136.05180	8.0
137.05974	69.3
138.06618	1.9
139.07555	21.3
143.07617	1.4
143.08580	6.3
145.05009	1.3
145.06497	5.7
146.00240	1.4
147.08105	2.3
148.08818	1.6
150.06766	3.0
151.03926	20.9
151.04979	2.1
151.07539	100.0
153.05449	17.8
159.08034	2.6
160.08885	2.1
162.06789	3.9
163.07545	4.9
164.08369	4.0
165.05486	13.3
165.09117	35.1
167.05670	2.6
167.07014	18.8
171.08043	8.4
176.08260	2.0
177.09131	3.6
178.08607	1.7
179.09224	2.5
179.10683	27.4
180.10159	1.9
181.08760	1.5
186.10422	4.0
187.07603	2.8
188.08318	8.6
191.10733	2.3
195.10201	2.4
202.09888	10.2
203.10677	35.9
203.12508	2.7
205.12286	2.6
206.08124	2.6
209.13303	4.2
217.12238	28.8
221.09538	2.6
221.11719	47.4
235.13277	43.4
236.13596	2.3
301.05920	3.5
341.17453	29.2
359.18445	33.6
370.01089	1.4
479.15244	1.7
484.33804	2.4
502.35516	3.3
520.27313	5.4
520.35327	2.1
538.20929	3.6
538.28430	42.9
538.37213	17.7
539.26788	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.9
51.02383	1.6
51.75749	0.3
53.03949	5.6
55.01855	0.3
61.76128	0.3
71.31793	0.4
73.04748	0.5
77.03924	1.3
81.03403	0.8
85.93598	0.3
91.05806	0.5
95.04966	6.1
95.08604	0.3
99.05560	0.3
105.03390	100.0
105.04539	3.3
106.03733	2.4
131.08549	0.3
137.32816	0.3
167.05438	0.3
191.91229	0.3
213.57262	0.3
270.89307	0.3
299.06104	0.4
300.06213	0.3
301.05963	0.6
315.08490	0.3
338.15076	0.3
345.43094	0.3
369.16647	0.4
370.17355	0.5
399.18130	0.8
400.18408	2.2
401.19388	0.5
416.36722	0.3
507.23575	1.6
539.33307	0.9
555.31909	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.7
53.03960	5.9
58.46042	0.7
60.32513	0.9
61.93532	0.8
68.64520	0.7
70.93522	0.7
70.93883	1.3
73.58116	0.7
77.03922	1.4
90.22896	0.6
95.04974	5.7
98.98502	0.9
99.08009	0.6
105.03395	100.0
105.04541	2.4
106.03726	3.2
131.52068	0.7
152.95419	0.7
154.86450	0.6
267.10352	0.9
325.10779	1.2
326.07785	0.9
327.08386	0.8
355.11761	3.2
357.09924	1.1
364.53067	0.7
369.13297	0.9
374.07867	0.7
399.14255	4.5
493.22281	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77080	0.9
53.03955	1.1
53.98575	0.9
55.01867	3.5
55.05508	1.4
57.03432	8.5
57.53894	1.0
59.04991	1.7
61.02921	4.5
67.05525	2.2
69.03427	12.7
69.07075	3.8
69.17080	0.9
69.82400	0.9
69.98177	4.3
71.01347	1.7
71.04993	2.8
73.02914	16.6
73.04737	1.0
79.05495	4.1
81.03408	2.3
81.07040	5.4
82.96077	0.8
83.04977	2.5
83.08611	2.1
85.02905	26.3
85.06557	1.3
87.04481	3.0
91.03947	1.5
91.05482	4.0
93.07047	6.6
95.04964	7.3
95.08615	4.0
95.22380	0.8
97.02885	19.9
97.06536	10.1
99.04471	3.7
99.08064	1.3
105.07037	9.7
107.05005	0.9
107.08587	10.4
109.02882	2.0
109.06508	17.9
109.10154	7.1
111.08089	2.1
115.03914	9.0
115.07567	3.3
119.08585	5.1
121.06491	1.0
121.10139	33.4
123.08071	2.9
123.11694	2.0
125.09650	1.8
127.03927	7.2
127.07568	1.8
131.08557	6.4
132.31902	1.0
133.04971	9.1
133.10114	25.7
134.10457	1.7
135.08061	4.6
135.11699	3.8
137.05988	8.3
137.09637	3.0
139.11206	2.7
143.77777	1.2
145.04939	7.2
145.10080	2.0
147.11676	12.9
147.12737	1.2
149.09624	2.3
149.13257	5.4
151.11198	6.6
153.09120	7.8
158.10876	1.3
161.13223	1.7
163.06000	4.1
163.14841	4.6
165.12718	2.9
166.08640	3.3
166.28314	1.2
167.14397	1.3
169.12224	2.1
172.03983	2.0
173.13252	15.5
174.13579	1.0
179.78323	1.1
191.14311	31.0
192.14561	1.5
194.02090	1.1
209.15367	52.5
210.15685	2.0
223.06097	2.2
227.16406	100.0
228.16780	4.0
230.11961	1.3
241.07050	2.7
259.08127	1.8
323.18240	1.0
341.19391	1.2
358.48373	1.0
410.08078	0.9
531.82227	1.0
531.90118	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37371	4.1
54.76829	3.9
55.01876	6.3
55.05513	6.8
67.05493	4.5
69.03423	15.1
69.20940	4.2
69.32076	27.8
71.04976	4.4
73.02928	6.8
79.05474	8.0
81.07066	8.4
83.04981	20.9
83.08607	5.4
85.02901	18.9
93.07046	10.0
94.35298	4.0
95.04965	4.2
95.08618	5.6
96.25163	3.8
97.02903	9.9
97.06496	5.1
97.10194	4.9
99.04450	5.4
105.07043	10.0
107.08599	41.7
109.06497	10.0
109.10160	7.4
111.08052	11.4
119.08530	6.0
119.32845	3.8
119.33817	3.7
121.06602	4.2
121.10180	10.5
125.09657	4.5
127.03912	7.1
127.07542	4.3
128.18282	4.3
133.04971	7.2
133.10110	20.3
135.08046	8.0
135.11629	6.9
137.05975	6.8
149.13240	7.8
151.11195	11.2
153.09076	21.6
159.34886	4.0
171.41675	4.5
173.13266	10.8
175.07475	4.2
191.14301	100.0
209.15372	48.6
227.16191	4.7
276.89120	4.7
299.05978	4.4
301.06189	4.3
331.35251	4.4
338.91879	5.2
539.18030	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.9
55.01874	4.4
57.03436	7.0
57.07082	2.5
61.02929	3.9
67.05488	2.3
69.03429	11.1
69.07059	4.3
69.30842	7.4
69.31248	3.7
71.04955	2.9
71.97787	2.1
73.02915	7.8
79.05489	3.8
81.03408	3.2
81.07066	16.1
83.04987	2.9
83.08637	2.4
85.02907	22.6
85.06580	1.8
87.04459	17.0
91.05492	6.1
93.07047	14.3
95.04971	19.2
95.08615	8.0
97.02882	14.9
97.06510	2.5
99.04445	4.4
99.33614	2.0
105.07004	9.1
107.08590	10.6
109.06511	8.0
109.10179	4.6
111.08076	2.7
115.03946	4.9
119.08569	3.8
121.10142	34.4
122.10468	2.0
123.08071	6.1
123.11707	58.3
127.03919	5.2
131.08583	6.4
133.04979	7.5
133.10118	22.6
135.08081	3.0
135.11778	2.7
137.05969	3.0
139.11174	7.5
145.04955	5.0
145.10155	2.9
147.11646	12.0
149.09631	19.8
149.13255	3.2
151.11198	24.9
153.09071	9.2
163.03844	2.1
165.12729	10.4
167.05640	2.1
167.10675	58.1
168.11021	2.4
173.13266	14.9
182.02763	1.9
191.14326	26.0
209.15369	38.2
224.07213	3.2
227.16411	100.0
228.16730	4.4
503.16556	2.4
523.87732	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.4
67.05503	3.5
79.05469	2.5
81.07048	5.8
83.04971	5.7
84.66551	1.5
93.07030	4.8
95.08606	5.7
105.07040	4.9
107.08632	2.4
111.04463	5.1
111.08135	2.1
119.08575	6.4
121.10135	2.5
129.07028	2.1
131.08502	2.6
133.10135	5.0
143.08534	3.8
145.10173	2.6
155.08571	6.3
156.09264	2.1
157.06493	3.2
157.10130	4.1
159.11691	3.8
169.10126	4.0
171.11705	3.5
179.08557	1.7
181.10100	2.5
185.13290	2.0
187.11244	2.0
195.11688	3.5
197.13231	2.7
198.86214	1.6
199.11218	7.3
207.11745	4.7
209.13326	3.0
211.14886	2.7
217.10271	1.7
217.12267	3.0
219.11745	3.2
221.13173	4.2
223.14856	2.2
225.12622	2.4
233.13252	3.1
235.14836	2.4
243.13982	1.8
245.13322	2.3
247.14897	3.3
255.13693	3.0
261.12949	2.8
261.16293	2.8
267.13828	3.0
271.14938	2.4
273.12823	2.6
275.18036	2.8
287.14224	1.8
289.15857	2.2
301.16010	3.0
303.17307	2.0
321.18539	1.9
329.19098	2.5
344.21320	3.8
377.24875	4.0
415.26526	9.0
425.24738	6.3
443.25824	34.8
444.25888	4.9
461.26871	35.4
462.27087	6.5
538.26495	100.0
539.26215	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61583	1.7
61.48318	1.9
67.05519	2.8
69.03425	3.7
81.07066	3.1
83.04976	1.9
85.08791	2.1
91.05446	2.9
91.05874	2.1
92.05764	2.8
93.07091	2.6
95.04964	2.1
96.43075	1.6
98.22561	3.8
105.07037	5.6
106.10635	1.7
107.08626	2.8
109.20827	1.9
117.07076	2.1
128.06216	3.3
129.07027	5.1
131.08589	7.2
133.10146	4.2
142.07805	3.1
143.08580	7.5
145.10152	2.6
153.07036	2.1
155.08574	5.9
156.09358	4.9
157.10190	2.8
159.08073	8.5
159.11766	2.2
161.09666	7.2
165.06966	2.6
167.05637	2.7
167.08597	1.6
169.05214	2.2
169.10153	7.4
171.08141	2.4
171.11734	8.1
173.09760	2.4
175.11157	1.9
179.08536	2.9
181.10191	2.1
183.11807	2.7
185.09669	3.7
187.07552	2.6
189.09180	2.1
193.10147	5.0
194.10939	4.0
195.11789	4.1
197.09593	3.1
199.11145	3.5
205.08569	2.2
207.11708	6.2
208.12535	2.8
209.13226	10.1
211.11101	2.7
213.12703	3.0
219.11732	2.3
221.13118	3.9
223.11217	5.9
223.14731	2.4
225.12804	2.5
233.13271	2.0
235.11310	2.7
237.12787	5.4
241.12289	2.9
271.15021	1.9
292.12201	2.1
299.06204	3.7
301.06012	5.8
393.21957	2.7
399.19672	2.4
411.23135	7.1
415.22601	3.1
418.24210	16.1
426.37668	2.1
429.24249	100.0
430.24695	10.6
431.25827	3.7
439.22711	7.2
457.23727	75.3
458.24023	7.6
475.24805	71.7
476.25079	7.0
480.24408	5.0
520.27228	3.3
521.28815	2.7
538.28424	47.4
539.29852	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1678
Annotation	Agrostonidin
Peak:m/z	Relative Intensity
58.94407	5.3
63.76805	6.2
69.06313	49.0
81.07046	6.9
111.94125	6.6
137.05994	8.6
195.58461	5.1
341.10135	13.1
377.36478	6.7
383.14862	14.5
401.15918	14.3
478.00455	5.6
479.20868	7.6
528.64050	7.2
539.16663	100.0
539.27881	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99519	2.9
51.89238	2.9
54.76870	2.9
69.07203	27.8
77.14050	2.7
81.07048	5.9
81.99561	3.0
94.04097	2.9
98.23374	5.2
137.05971	6.2
178.60843	3.1
183.32054	3.1
184.80679	4.2
226.04637	3.5
233.09378	3.6
262.23648	3.6
341.10025	5.6
369.13248	4.0
401.16083	12.2
424.80023	2.9
467.13489	3.2
474.15530	3.3
479.20819	6.9
501.42496	3.7
539.16754	100.0
539.29175	11.7
540.17181	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2124
Annotation	Tanegoside
Peak:m/z	Relative Intensity
55.20594	2.5
65.03934	5.9
67.05491	3.3
69.03393	3.0
69.43398	3.0
69.48761	13.7
76.64076	3.2
85.02914	10.6
91.05491	6.3
93.03421	5.3
93.25134	3.0
105.07011	3.3
107.08598	4.7
111.04480	8.0
125.06013	9.3
135.08110	6.9
137.05975	17.1
147.04477	3.6
151.03918	100.0
151.05026	8.9
151.07552	11.8
153.05463	12.9
157.06566	3.6
161.05978	16.1
161.09624	5.1
163.07544	10.7
177.05388	3.8
177.09065	4.6
189.09119	16.8
191.07024	9.8
191.90947	2.8
193.08647	3.5
195.10068	3.3
207.10176	25.2
208.66571	3.2
235.09703	8.5
257.16718	2.9
259.04672	3.2
267.61887	3.5
281.11758	5.2
283.10049	4.3
283.13315	4.4
285.11096	6.1
313.10675	5.1
313.14362	9.1
329.13757	11.4
331.15378	4.2
341.13986	15.1
347.14822	5.8
359.14914	55.4
377.15866	13.3
382.48172	3.4
401.71368	3.3
446.21210	3.4
453.02423	3.0
518.42725	4.5
519.54700	3.1
535.06763	3.4
539.19342	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.4
55.01878	10.7
55.05513	5.3
57.03435	8.3
67.05498	5.8
69.03433	7.6
69.07050	4.8
69.20687	3.8
71.01352	10.1
71.29993	4.2
73.02966	3.4
79.05512	17.9
81.03391	4.2
81.07041	5.3
83.04962	5.3
85.02904	23.1
91.05488	13.1
93.07047	4.1
95.04975	15.7
97.02930	7.8
100.11223	4.2
103.05461	27.7
105.07027	10.6
107.04958	75.9
107.08578	7.6
109.06508	4.7
111.04427	5.6
112.12402	3.5
121.06493	12.6
121.10136	4.0
122.10479	4.1
123.04426	5.9
123.08112	6.8
125.06003	4.7
127.03954	5.9
131.04932	11.4
133.02841	6.9
133.04938	5.6
133.06506	5.0
135.04419	12.6
135.08072	16.4
137.05992	43.5
138.05396	4.1
145.06458	4.2
146.03658	4.7
147.04375	6.9
149.05951	19.1
149.13277	4.0
150.77696	3.2
151.03909	99.1
151.05008	7.6
151.07521	5.5
151.11186	5.6
152.04239	6.9
152.11502	4.1
153.05463	16.1
161.06013	20.1
161.09683	4.7
163.03912	4.7
163.07539	100.0
163.08890	5.3
164.08008	4.6
165.05447	7.0
167.07069	6.6
174.13637	3.8
175.07593	7.5
177.05431	7.2
178.06276	25.8
179.06993	10.4
181.08588	70.4
182.09344	4.6
189.05489	3.8
189.09111	16.4
191.07051	3.7
191.14322	7.1
192.14612	6.9
195.06514	29.3
196.07310	12.1
207.10167	27.1
209.15454	20.4
209.17072	3.4
210.15747	18.8
217.08542	4.0
227.16414	29.3
228.16727	33.7
249.11267	4.9
327.11951	5.4
329.13788	12.8
347.14597	4.7
359.14859	13.1
377.16000	24.3
411.58932	4.5
419.85281	3.7
468.46625	3.8
539.41241	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2255
Annotation	11beta,12alpha-Diacetoxycedrelone
Peak:m/z	Relative Intensity
69.10954	4.9
70.43540	0.4
79.05428	0.5
137.05997	1.7
139.03911	0.6
151.03976	0.7
151.07567	0.9
152.07961	0.6
160.05023	0.6
162.06807	0.8
167.05545	0.7
196.10342	0.7
243.09944	0.5
253.14116	0.6
286.49744	0.6
299.06357	0.6
301.10403	1.4
340.09402	1.0
358.10541	0.6
423.13898	0.6
453.18906	2.0
463.70709	0.7
511.22998	3.6
521.21112	1.6
530.35040	0.6
539.22418	100.0
540.22845	10.5
540.30518	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.9
53.03932	3.2
55.01867	4.1
55.05505	4.2
56.54406	1.0
57.03441	1.2
58.73371	0.9
65.03948	1.0
67.05494	6.4
68.99779	2.4
69.03432	12.1
69.07063	2.5
69.36810	4.4
69.37220	2.5
71.01336	1.0
71.04987	3.2
75.71317	0.9
76.51680	1.1
77.03919	1.4
79.05493	20.6
81.07057	91.3
82.07397	1.4
83.04988	5.6
87.00813	1.2
91.05478	17.7
93.03317	1.0
93.07043	7.5
95.04964	8.9
95.08622	10.0
97.02908	9.5
97.06527	3.3
98.23315	2.1
99.04461	8.3
103.05482	2.2
105.03394	1.6
105.07030	11.1
107.04957	3.5
107.08583	7.7
109.02868	1.6
109.06517	42.9
111.04424	3.8
111.08064	6.0
115.05443	5.6
117.07027	8.1
119.04945	1.3
119.08576	8.1
121.06496	9.0
121.10126	1.5
123.04425	2.4
123.08067	25.9
125.06004	2.3
125.09616	2.3
127.03922	2.1
128.06218	9.9
129.07025	15.0
130.07771	1.1
131.04910	3.1
131.08560	9.1
132.05707	2.1
133.06459	8.8
133.10110	3.8
135.08049	6.4
137.05974	100.0
138.06311	1.5
139.07547	7.9
141.06975	8.4
142.07787	5.8
143.08548	18.5
145.06494	16.7
145.10103	4.0
147.04390	1.4
147.08043	15.1
149.05995	4.3
149.09647	2.6
151.07549	8.8
152.06178	1.3
153.06985	7.7
154.07736	2.9
155.04893	1.5
155.05988	1.3
155.07054	5.2
155.08553	15.6
157.06476	6.2
157.10123	9.9
158.07202	2.6
159.04517	1.2
159.08058	12.4
160.08719	1.7
161.05980	3.0
161.09669	3.5
163.07558	4.7
164.08197	1.1
165.07007	11.8
165.09108	1.8
166.07796	5.7
167.07066	4.1
167.08562	11.5
168.09300	3.4
169.06526	6.4
169.10066	7.7
170.07294	2.5
171.08046	31.9
171.11703	2.1
172.08609	1.7
173.05960	3.1
173.09563	7.3
175.07542	5.7
175.11047	1.5
177.09111	3.4
178.07739	8.9
179.08533	13.4
180.09303	4.1
181.06497	6.2
181.10098	11.7
182.07249	3.9
182.10924	1.1
183.08058	15.1
183.11713	4.5
184.08815	4.1
185.06015	2.4
185.09624	20.5
186.06769	1.3
186.10277	1.1
187.07527	3.6
187.11119	1.5
189.07098	1.9
189.09134	5.6
190.07779	4.1
191.07005	2.3
191.08554	8.3
192.09329	7.8
193.06552	1.5
193.08606	2.1
193.10126	15.0
194.07214	3.0
194.10814	2.3
195.08022	11.9
195.11702	8.3
196.08784	3.6
197.06087	1.8
197.09595	11.3
197.13184	1.1
198.10359	1.1
199.07605	4.8
199.11145	5.0
201.09114	4.2
202.07765	7.2
203.08578	10.8
204.09340	7.5
205.10138	15.2
206.07390	2.1
206.10884	5.3
207.08102	8.7
207.11710	8.9
208.08864	4.0
208.12332	1.8
209.09618	15.6
209.13261	3.6
210.10301	2.3
210.13737	1.0
211.07489	3.7
211.11195	7.1
212.11900	1.3
213.09088	6.2
215.08604	4.7
215.10573	2.0
216.09375	5.3
217.10139	15.6
218.07291	1.5
218.10881	8.8
219.08211	6.7
219.11713	13.6
220.08902	7.6
220.12167	2.2
221.09659	17.7
221.13235	8.2
222.10278	5.3
223.07545	2.8
223.11185	8.7
223.14769	2.9
224.08284	1.3
225.09100	3.9
225.12675	2.9
227.10641	2.0
228.09372	1.4
229.10132	7.6
230.10849	4.4
231.08052	4.5
231.11914	6.6
232.08801	6.4
232.12288	5.6
233.09631	15.4
233.13199	10.1
234.10361	5.3
234.13869	2.2
235.07608	2.2
235.11208	27.3
235.14740	2.3
236.08304	1.5
236.11937	11.0
237.09096	8.6
237.12723	14.1
237.16101	1.3
239.10658	3.7
239.14415	1.8
241.10187	2.8
241.12376	2.1
242.10841	4.7
243.11810	6.8
244.08881	1.5
244.12366	2.6
245.09613	16.8
245.13350	4.7
246.10393	14.4
246.14067	2.1
247.07419	2.0
247.11238	15.3
247.14836	9.6
248.08168	2.6
248.11946	5.0
248.15364	1.6
249.09116	6.4
249.12727	12.8
249.16423	1.6
250.09743	1.4
250.13474	2.6
251.10565	5.8
251.14258	6.6
253.12221	5.9
253.15968	1.5
256.08853	1.3
256.12515	2.5
257.09271	2.4
257.11673	5.7
257.13519	3.9
258.10327	2.5
258.14011	1.5
259.11185	11.8
259.14771	1.7
260.11978	7.9
261.09372	2.0
261.12744	16.2
262.09998	2.3
262.13419	2.9
263.10678	14.6
263.14249	8.5
264.11441	12.4
264.14343	1.6
265.08530	1.6
265.09131	1.5
265.12311	11.2
265.15622	7.6
267.10184	3.6
267.13995	1.8
267.17178	1.4
269.09280	1.6
269.11716	2.7
270.10413	2.3
271.11084	4.0
271.14871	2.1
272.12048	2.7
273.12720	6.7
273.16278	2.5
274.13504	3.0
275.10760	3.3
275.14264	23.2
276.11420	1.4
276.14908	4.5
277.12247	10.7
277.15747	3.7
278.12753	2.1
279.10373	2.8
279.13809	7.7
279.17050	2.0
281.11697	10.0
283.13281	2.6
284.11838	1.9
285.12759	7.0
286.13336	1.9
287.10651	3.9
287.14294	4.3
288.11435	2.2
288.14807	1.2
289.12225	6.3
289.15768	5.4
291.10178	2.9
291.13760	4.5
291.17380	3.1
292.10971	1.3
292.14307	1.4
293.11682	3.1
293.15347	12.0
295.13336	3.1
297.12851	1.2
299.14041	4.3
301.12253	2.5
301.15707	1.7
302.12918	1.6
303.10391	1.9
303.13782	15.6
304.14359	2.0
305.11697	7.4
305.15408	3.0
306.12534	1.9
307.13239	7.0
307.17007	3.1
309.11267	2.5
309.14868	2.6
315.13687	2.7
317.11752	2.2
317.15247	9.7
319.13373	3.7
319.16925	3.2
320.13992	1.4
321.11444	1.8
321.14813	10.7
323.12726	6.4
325.14276	3.3
327.13785	1.4
327.17352	1.4
331.13171	2.3
333.14703	5.2
335.12607	3.1
335.16412	8.4
337.14517	2.2
341.14349	1.8
345.14755	7.3
345.18369	1.8
346.15457	1.3
347.16602	1.7
349.14523	1.5
351.16077	2.6
353.17331	2.7
355.16916	3.1
357.14587	1.5
359.16470	2.2
363.15875	11.4
364.16519	3.4
373.17981	14.4
374.18686	1.7
375.15735	3.3
375.19824	1.7
377.17270	2.5
381.16998	12.2
382.17041	1.5
383.16492	6.9
387.19778	1.5
391.18994	14.3
393.16553	2.5
393.20993	2.2
394.17374	1.2
397.17746	1.8
401.17505	41.1
402.17719	3.9
403.15347	2.3
415.19171	5.5
417.20792	13.3
419.18542	71.4
420.18997	6.3
421.16156	1.3
425.17444	1.9
433.20151	7.5
435.21979	11.4
437.19635	16.2
438.20056	1.7
443.18558	13.7
451.20749	1.7
461.19571	34.9
462.19724	3.4
477.29108	1.2
479.20636	96.4
480.20966	9.7
495.23941	5.5
497.21765	5.7
521.21930	9.1
539.22644	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.9
53.03932	3.2
55.01867	4.1
55.05505	4.2
56.54406	1.0
57.03441	1.2
58.73371	0.9
65.03948	1.0
67.05494	6.4
68.99779	2.4
69.03432	12.1
69.07063	2.5
69.36810	4.4
69.37220	2.5
71.01336	1.0
71.04987	3.2
75.71317	0.9
76.51680	1.1
77.03919	1.4
79.05493	20.6
81.07057	91.3
82.07397	1.4
83.04988	5.6
87.00813	1.2
91.05478	17.7
93.03317	1.0
93.07043	7.5
95.04964	8.9
95.08622	10.0
97.02908	9.5
97.06527	3.3
98.23315	2.1
99.04461	8.3
103.05482	2.2
105.03394	1.6
105.07030	11.1
107.04957	3.5
107.08583	7.7
109.02868	1.6
109.06517	42.9
111.04424	3.8
111.08064	6.0
115.05443	5.6
117.07027	8.1
119.04945	1.3
119.08576	8.1
121.06496	9.0
121.10126	1.5
123.04425	2.4
123.08067	25.9
125.06004	2.3
125.09616	2.3
127.03922	2.1
128.06218	9.9
129.07025	15.0
130.07771	1.1
131.04910	3.1
131.08560	9.1
132.05707	2.1
133.06459	8.8
133.10110	3.8
135.08049	6.4
137.05974	100.0
138.06311	1.5
139.07547	7.9
141.06975	8.4
142.07787	5.8
143.08548	18.5
145.06494	16.7
145.10103	4.0
147.04390	1.4
147.08043	15.1
149.05995	4.3
149.09647	2.6
151.07549	8.8
152.06178	1.3
153.06985	7.7
154.07736	2.9
155.04893	1.5
155.05988	1.3
155.07054	5.2
155.08553	15.6
157.06476	6.2
157.10123	9.9
158.07202	2.6
159.04517	1.2
159.08058	12.4
160.08719	1.7
161.05980	3.0
161.09669	3.5
163.07558	4.7
164.08197	1.1
165.07007	11.8
165.09108	1.8
166.07796	5.7
167.07066	4.1
167.08562	11.5
168.09300	3.4
169.06526	6.4
169.10066	7.7
170.07294	2.5
171.08046	31.9
171.11703	2.1
172.08609	1.7
173.05960	3.1
173.09563	7.3
175.07542	5.7
175.11047	1.5
177.09111	3.4
178.07739	8.9
179.08533	13.4
180.09303	4.1
181.06497	6.2
181.10098	11.7
182.07249	3.9
182.10924	1.1
183.08058	15.1
183.11713	4.5
184.08815	4.1
185.06015	2.4
185.09624	20.5
186.06769	1.3
186.10277	1.1
187.07527	3.6
187.11119	1.5
189.07098	1.9
189.09134	5.6
190.07779	4.1
191.07005	2.3
191.08554	8.3
192.09329	7.8
193.06552	1.5
193.08606	2.1
193.10126	15.0
194.07214	3.0
194.10814	2.3
195.08022	11.9
195.11702	8.3
196.08784	3.6
197.06087	1.8
197.09595	11.3
197.13184	1.1
198.10359	1.1
199.07605	4.8
199.11145	5.0
201.09114	4.2
202.07765	7.2
203.08578	10.8
204.09340	7.5
205.10138	15.2
206.07390	2.1
206.10884	5.3
207.08102	8.7
207.11710	8.9
208.08864	4.0
208.12332	1.8
209.09618	15.6
209.13261	3.6
210.10301	2.3
210.13737	1.0
211.07489	3.7
211.11195	7.1
212.11900	1.3
213.09088	6.2
215.08604	4.7
215.10573	2.0
216.09375	5.3
217.10139	15.6
218.07291	1.5
218.10881	8.8
219.08211	6.7
219.11713	13.6
220.08902	7.6
220.12167	2.2
221.09659	17.7
221.13235	8.2
222.10278	5.3
223.07545	2.8
223.11185	8.7
223.14769	2.9
224.08284	1.3
225.09100	3.9
225.12675	2.9
227.10641	2.0
228.09372	1.4
229.10132	7.6
230.10849	4.4
231.08052	4.5
231.11914	6.6
232.08801	6.4
232.12288	5.6
233.09631	15.4
233.13199	10.1
234.10361	5.3
234.13869	2.2
235.07608	2.2
235.11208	27.3
235.14740	2.3
236.08304	1.5
236.11937	11.0
237.09096	8.6
237.12723	14.1
237.16101	1.3
239.10658	3.7
239.14415	1.8
241.10187	2.8
241.12376	2.1
242.10841	4.7
243.11810	6.8
244.08881	1.5
244.12366	2.6
245.09613	16.8
245.13350	4.7
246.10393	14.4
246.14067	2.1
247.07419	2.0
247.11238	15.3
247.14836	9.6
248.08168	2.6
248.11946	5.0
248.15364	1.6
249.09116	6.4
249.12727	12.8
249.16423	1.6
250.09743	1.4
250.13474	2.6
251.10565	5.8
251.14258	6.6
253.12221	5.9
253.15968	1.5
256.08853	1.3
256.12515	2.5
257.09271	2.4
257.11673	5.7
257.13519	3.9
258.10327	2.5
258.14011	1.5
259.11185	11.8
259.14771	1.7
260.11978	7.9
261.09372	2.0
261.12744	16.2
262.09998	2.3
262.13419	2.9
263.10678	14.6
263.14249	8.5
264.11441	12.4
264.14343	1.6
265.08530	1.6
265.09131	1.5
265.12311	11.2
265.15622	7.6
267.10184	3.6
267.13995	1.8
267.17178	1.4
269.09280	1.6
269.11716	2.7
270.10413	2.3
271.11084	4.0
271.14871	2.1
272.12048	2.7
273.12720	6.7
273.16278	2.5
274.13504	3.0
275.10760	3.3
275.14264	23.2
276.11420	1.4
276.14908	4.5
277.12247	10.7
277.15747	3.7
278.12753	2.1
279.10373	2.8
279.13809	7.7
279.17050	2.0
281.11697	10.0
283.13281	2.6
284.11838	1.9
285.12759	7.0
286.13336	1.9
287.10651	3.9
287.14294	4.3
288.11435	2.2
288.14807	1.2
289.12225	6.3
289.15768	5.4
291.10178	2.9
291.13760	4.5
291.17380	3.1
292.10971	1.3
292.14307	1.4
293.11682	3.1
293.15347	12.0
295.13336	3.1
297.12851	1.2
299.14041	4.3
301.12253	2.5
301.15707	1.7
302.12918	1.6
303.10391	1.9
303.13782	15.6
304.14359	2.0
305.11697	7.4
305.15408	3.0
306.12534	1.9
307.13239	7.0
307.17007	3.1
309.11267	2.5
309.14868	2.6
315.13687	2.7
317.11752	2.2
317.15247	9.7
319.13373	3.7
319.16925	3.2
320.13992	1.4
321.11444	1.8
321.14813	10.7
323.12726	6.4
325.14276	3.3
327.13785	1.4
327.17352	1.4
331.13171	2.3
333.14703	5.2
335.12607	3.1
335.16412	8.4
337.14517	2.2
341.14349	1.8
345.14755	7.3
345.18369	1.8
346.15457	1.3
347.16602	1.7
349.14523	1.5
351.16077	2.6
353.17331	2.7
355.16916	3.1
357.14587	1.5
359.16470	2.2
363.15875	11.4
364.16519	3.4
373.17981	14.4
374.18686	1.7
375.15735	3.3
375.19824	1.7
377.17270	2.5
381.16998	12.2
382.17041	1.5
383.16492	6.9
387.19778	1.5
391.18994	14.3
393.16553	2.5
393.20993	2.2
394.17374	1.2
397.17746	1.8
401.17505	41.1
402.17719	3.9
403.15347	2.3
415.19171	5.5
417.20792	13.3
419.18542	71.4
420.18997	6.3
421.16156	1.3
425.17444	1.9
433.20151	7.5
435.21979	11.4
437.19635	16.2
438.20056	1.7
443.18558	13.7
451.20749	1.7
461.19571	34.9
462.19724	3.4
477.29108	1.2
479.20636	96.4
480.20966	9.7
495.23941	5.5
497.21765	5.7
521.21930	9.1
539.22644	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01570	0.8
51.02375	1.7
51.50177	0.7
53.03952	9.7
69.29167	2.9
69.29571	1.8
74.01669	0.6
77.03922	2.7
79.05482	0.9
81.03414	0.8
88.32458	0.6
90.29142	0.5
95.04971	8.7
105.03391	100.0
105.04534	4.4
106.03708	2.5
124.36298	0.6
125.16434	0.7
133.50085	0.6
143.08687	0.7
145.10072	0.8
150.28844	0.7
225.47046	0.7
281.08191	1.2
296.10486	1.4
313.10760	1.4
327.12292	1.6
328.12906	1.6
331.11859	1.9
343.11703	0.7
344.12659	0.9
345.13492	1.2
354.14410	1.0
359.14893	5.7
399.18115	2.9
417.19806	1.5
519.55615	0.8
539.26337	42.1
540.26605	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
53.71157	0.9
55.01878	3.7
58.46192	0.9
77.03946	1.7
79.05490	10.9
85.02954	1.1
85.10822	1.1
91.05477	12.2
93.07042	1.6
94.04216	2.5
95.04982	5.1
98.23341	2.5
103.05471	30.0
105.03406	2.0
105.04514	1.9
105.07024	9.9
106.49861	0.9
107.04956	65.6
107.08548	1.3
108.05338	1.7
115.05453	9.7
116.06245	8.1
117.07007	4.7
119.04923	1.3
120.05734	2.4
121.06492	5.2
122.03648	6.3
123.04428	1.8
129.06995	1.4
131.04927	16.8
133.06500	5.9
135.08046	14.5
136.08397	1.1
137.05978	87.0
138.06392	1.7
143.04924	2.8
144.05708	8.8
145.06465	3.3
145.07574	2.1
147.04437	1.7
148.05161	1.7
149.06013	3.6
151.03938	1.8
151.07564	13.0
160.05186	2.2
161.02399	1.6
161.05980	28.2
163.07544	100.0
164.07933	2.9
165.05438	1.8
171.04390	3.9
172.05296	1.8
173.06021	1.9
174.06848	1.4
175.07556	11.6
176.04694	4.0
176.08344	7.6
177.05457	8.0
177.09082	1.5
178.06198	1.2
181.08597	34.0
187.07487	1.4
189.05484	10.7
189.09119	1.7
190.06221	8.1
191.07021	7.1
192.07741	1.3
195.10191	2.2
203.07019	27.8
203.08847	1.4
204.07816	53.2
205.08298	2.0
207.10414	1.1
217.08600	22.3
221.08032	6.3
231.08038	1.3
247.07504	1.4
248.08266	1.2
261.09146	1.8
263.10559	2.0
265.08652	2.5
277.08728	4.3
279.10147	1.6
289.08572	1.9
291.10120	3.6
293.07977	1.3
294.09171	1.1
295.09747	1.5
297.11334	1.8
306.08591	1.1
307.09717	4.2
308.10431	2.2
309.11252	3.0
311.12747	2.3
314.03925	1.2
315.12277	1.5
317.11542	1.0
321.11307	3.3
322.12048	3.5
323.12799	5.9
325.10693	1.2
335.12701	5.4
339.12262	1.4
340.13043	10.8
341.13828	34.7
342.14185	2.6
353.13837	11.9
357.13443	8.7
358.14032	1.9
359.14789	2.2
366.14679	2.4
367.15430	3.2
491.20432	1.3
503.20663	1.7
509.21652	11.0
521.21582	10.8
522.21436	2.1
539.22345	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.5
69.16044	7.9
69.16459	10.6
73.57246	2.2
75.38232	2.0
79.05494	6.4
81.07055	6.3
89.20374	2.2
91.05481	14.1
93.07064	3.7
94.04198	4.6
103.05479	4.3
105.07022	5.7
107.04961	6.2
107.08633	3.5
109.06536	4.1
115.05463	5.8
117.06992	5.5
119.04934	7.0
121.06519	7.9
122.03631	7.7
123.08080	6.4
128.06194	4.0
129.06982	5.7
131.04935	4.6
133.06433	3.0
135.08063	2.9
137.05981	100.0
147.04405	5.1
147.08037	5.8
149.05983	6.7
151.03929	3.9
151.07535	46.1
157.06497	7.5
160.05229	3.9
161.06000	36.1
161.09650	5.8
163.07550	13.2
165.05440	2.4
165.09094	7.1
166.07666	2.3
167.07076	4.3
174.06795	4.5
175.07556	29.0
176.07994	2.7
177.09123	9.2
187.07542	3.1
189.09129	16.5
191.06917	4.3
191.10721	3.9
193.06485	3.9
194.07245	4.5
195.08365	4.6
195.10193	19.8
199.07491	2.5
205.06557	5.9
207.10201	8.5
209.09625	3.0
219.08075	3.4
219.10107	3.5
221.05911	6.0
222.06723	3.7
223.07454	5.1
224.08377	2.6
225.09076	4.3
233.06085	3.0
234.06860	3.7
235.07549	3.0
237.09097	8.4
241.08646	4.0
247.07687	3.1
249.09090	7.3
253.08589	7.6
255.06569	2.9
258.37393	2.4
263.06818	2.8
265.08563	16.3
267.10037	3.5
270.08844	4.3
277.08582	11.0
278.09531	3.1
279.10248	5.3
283.09729	7.8
285.11200	9.0
297.11307	22.5
299.12607	4.6
305.11807	3.5
307.09665	3.5
309.11221	8.0
311.12778	19.9
315.12332	8.9
317.14014	4.5
323.12766	6.3
337.14297	21.0
341.13821	3.8
342.14084	2.8
349.14258	5.9
355.15381	28.0
356.15695	3.1
367.15463	14.3
426.18143	2.7
461.19534	3.6
479.20474	6.2
491.20288	3.5
509.21854	4.1
539.29364	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
55.01871	4.0
57.03429	2.0
63.02061	1.1
65.03936	2.5
67.05499	3.5
69.03454	1.4
69.30453	5.3
76.87299	1.2
79.05498	11.6
81.07048	3.9
85.02876	2.2
91.05479	15.0
93.07032	5.4
94.04201	2.6
95.04978	7.1
95.08575	2.2
97.10171	1.2
98.23341	2.6
103.05466	25.1
105.04495	1.6
105.07037	11.7
107.04958	51.9
107.05690	2.6
107.08601	2.4
109.06502	3.5
109.10166	2.0
115.05470	12.2
116.06244	7.4
117.07025	5.0
119.04938	4.4
121.06531	6.5
121.73746	1.2
122.03651	7.5
123.04413	1.3
123.08075	2.6
125.05969	1.5
125.09686	1.4
129.06966	3.8
131.04938	17.0
131.08554	2.6
133.06512	5.2
135.04462	1.5
135.08054	14.6
135.11714	1.4
137.05977	100.0
138.05472	2.6
138.06396	2.5
141.06963	1.7
143.04936	3.3
144.05737	7.7
145.06450	4.8
145.07538	2.1
146.07216	1.6
147.04405	4.8
147.08060	2.0
149.05966	5.6
150.94064	1.3
151.03906	4.7
151.07553	20.3
157.06468	2.5
157.10022	1.5
159.08112	1.7
160.05180	3.8
161.05977	34.0
161.09619	2.0
162.06635	1.4
163.07542	79.3
164.07898	2.9
165.05553	2.7
165.06998	2.3
165.09149	2.5
166.05019	4.5
167.07181	1.4
171.04364	3.0
173.06056	1.6
174.06763	1.7
175.07559	22.1
176.04686	3.4
176.08377	6.2
177.05522	8.0
177.09113	3.8
181.08609	31.1
181.10158	2.6
185.05937	2.1
187.07562	3.5
188.43622	1.3
189.05467	10.5
189.07045	1.7
189.09097	7.2
190.06221	6.8
191.07004	5.2
192.07790	1.8
193.15897	1.3
194.07324	2.0
195.08533	1.2
195.10155	8.0
203.07024	22.4
204.07822	42.1
205.08418	2.0
207.10191	2.4
217.08553	19.7
218.09315	1.5
219.08032	3.6
219.10106	2.8
221.06047	1.9
221.08102	3.7
223.07509	1.3
231.08057	1.5
234.06540	1.8
235.07605	2.2
237.09053	4.0
247.07545	2.3
248.08255	2.6
249.09041	3.0
251.06818	1.9
251.10591	1.5
253.08549	2.7
261.09100	2.7
263.07071	1.9
263.10559	2.2
264.07770	1.3
265.08502	8.6
266.09341	1.5
267.10101	2.9
276.07779	1.8
277.08591	5.0
279.10068	2.2
281.07977	2.0
283.09790	1.4
285.11252	4.5
289.08670	1.6
291.10110	6.5
293.08005	1.3
295.09601	2.7
297.11258	10.4
299.12802	1.7
305.11761	1.8
307.09586	3.4
308.10367	1.7
309.11145	3.4
311.12704	8.6
315.12152	5.3
317.13858	2.0
321.11206	5.2
322.11755	2.5
323.12982	6.0
329.14035	1.5
335.12704	4.2
337.14343	8.7
340.13150	9.4
341.13837	33.1
342.14426	2.5
349.14407	1.7
353.13754	8.4
354.14233	1.6
355.15344	8.7
357.13229	8.4
367.15280	8.0
385.16357	1.5
455.34790	1.1
465.77267	1.3
479.20288	2.9
482.88049	1.3
491.20462	4.8
509.21680	12.4
521.21613	9.9
539.21753	6.9
539.31128	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54816	0.8
53.03944	1.6
55.01871	1.9
60.81092	0.9
62.92950	0.9
65.03949	0.9
69.03431	1.1
77.03941	1.5
79.05495	8.1
85.02881	1.2
90.96300	0.9
91.05479	9.5
94.04190	4.2
95.04968	3.7
100.11301	1.4
103.05473	24.0
105.07032	7.6
107.04957	43.5
107.08607	1.2
107.33501	0.9
109.06492	1.8
115.05463	8.1
116.06261	4.6
117.07014	2.7
119.04928	1.6
120.05829	1.5
121.06511	3.5
122.03654	9.3
129.06966	2.0
131.04930	14.1
133.06482	4.4
135.04443	1.8
135.08044	10.1
137.05978	100.0
138.06319	4.3
143.04955	2.0
144.05734	6.9
145.06490	2.5
146.03651	1.3
147.04416	1.5
149.06023	2.3
151.03908	5.7
151.07547	8.0
157.06458	1.1
160.05167	2.3
161.05984	20.2
162.06700	1.2
163.07542	63.9
164.07939	2.3
165.05510	1.2
171.04379	2.6
172.05151	1.3
173.06067	1.4
174.06827	2.2
175.07568	12.2
176.04764	2.5
176.08334	4.6
177.05490	4.7
177.09151	1.5
179.07036	2.1
181.08611	23.2
185.05927	1.3
187.07573	3.1
189.05463	8.9
189.09120	1.6
190.06252	3.5
191.07010	4.1
191.10596	1.1
203.07010	18.9
204.07826	31.7
205.08362	2.5
217.08617	13.8
218.07321	1.2
219.08076	1.6
221.08066	2.5
231.07945	1.6
235.07469	2.2
237.09047	2.2
239.10818	1.3
246.06821	2.7
247.07431	1.9
248.08322	2.2
249.09007	2.2
261.09052	5.6
263.07004	2.0
263.10666	1.6
264.08054	1.1
265.08606	6.2
267.10126	1.2
272.52826	1.0
273.14532	1.0
277.08554	4.6
278.09177	1.5
279.10022	1.7
281.07993	1.9
289.08606	5.0
290.09351	2.0
291.10101	4.0
292.07343	1.0
295.09802	1.5
296.10269	1.5
297.11206	3.0
299.12888	2.9
307.09528	4.4
308.10352	1.4
309.11215	4.5
310.11737	1.7
311.12671	2.6
315.12378	1.2
321.11172	10.8
322.11804	2.4
323.12717	3.1
329.51736	1.0
333.16553	1.0
335.12830	3.6
339.12222	4.7
340.13058	16.6
341.13828	24.5
342.14114	3.2
349.14349	1.1
353.13797	8.7
357.13373	6.2
366.14514	1.6
367.15289	7.4
377.15695	1.9
423.48520	1.2
491.20535	1.4
503.20593	2.2
509.21915	6.0
521.21692	8.2
539.21246	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.2
55.05505	2.5
67.05482	1.7
69.28878	10.4
73.22345	1.5
79.05476	5.0
81.07048	9.8
91.05464	7.2
93.07047	2.8
94.04178	4.5
95.04967	2.6
95.08633	3.0
97.06562	1.9
104.29394	1.5
105.07026	3.6
107.04959	2.3
107.08604	1.7
108.05804	2.1
109.06499	4.8
115.05474	3.5
117.07008	2.8
119.04947	3.6
119.08598	1.2
121.06481	3.4
122.03658	7.5
123.04461	1.9
123.08045	4.3
128.06265	1.5
129.06990	4.8
131.04948	3.5
131.08519	1.8
133.06546	2.4
135.08054	2.9
137.05975	100.0
138.06296	4.4
143.04915	4.2
143.08533	2.3
144.05751	1.4
145.06487	3.9
147.04410	3.4
147.08002	1.5
149.05910	3.4
149.09558	1.8
151.03961	2.2
151.06393	2.4
151.07541	40.0
157.06468	3.3
159.08040	2.8
160.84326	1.4
161.05962	15.2
161.09625	3.4
163.07550	4.2
165.07019	4.6
165.09109	2.8
169.10023	1.7
171.08055	2.5
173.09581	2.0
174.06737	2.5
175.07515	5.6
177.09187	7.5
178.07678	1.8
179.08548	2.5
181.06435	1.7
184.08829	2.1
187.07576	2.4
189.09053	8.2
191.08499	1.5
193.06506	2.1
193.10153	2.1
194.07309	4.5
195.08253	2.5
195.10155	22.6
195.11787	2.6
198.14859	1.8
204.09296	1.7
205.06462	4.1
207.08151	2.1
207.10144	3.3
209.09634	2.2
210.06703	2.7
217.10176	2.1
219.07993	1.9
219.11743	2.0
221.05997	4.0
221.09657	3.0
222.06827	3.4
223.07582	2.6
224.08340	1.6
225.09006	2.9
232.08649	1.9
233.06003	3.0
233.09537	2.8
234.06822	1.7
235.11226	3.4
237.09065	8.7
239.07072	2.1
241.08713	2.3
245.09758	2.4
247.11087	2.8
249.09053	2.7
251.06894	1.7
253.08557	4.7
254.09407	2.0
255.09894	1.6
261.09195	2.0
261.12457	2.2
263.10526	2.5
265.08563	17.4
266.09216	1.7
269.08188	1.8
269.11578	2.2
275.14307	2.1
277.08551	4.6
279.10046	3.5
282.08994	2.0
283.09692	5.7
285.11230	10.6
287.12585	1.8
293.15225	1.8
295.09921	1.8
297.11200	29.5
299.12509	2.3
305.11725	2.3
309.11115	4.4
310.11780	2.0
311.12939	10.2
317.13904	4.9
323.12723	5.7
325.14288	1.6
337.14359	2.6
341.13535	1.6
355.15533	2.6
362.37625	1.4
381.17050	2.5
401.17331	5.3
417.20398	2.8
419.18524	6.8
424.32422	2.2
429.16446	2.2
435.17969	1.8
461.19263	8.5
479.20657	22.7
491.20441	4.7
539.25909	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24686	0.8
56.20438	1.0
61.56286	0.9
65.03964	1.1
69.50475	6.3
74.28721	0.9
79.05492	1.5
80.88916	1.2
91.42399	1.0
94.04202	3.0
103.05486	1.5
107.04932	1.5
119.04942	1.1
121.88100	0.9
122.03658	9.5
137.05984	100.0
138.06343	2.2
151.07558	3.4
163.07553	2.7
175.07524	1.2
189.09149	1.3
209.03882	0.9
213.09048	1.9
217.50552	1.0
219.10193	1.4
259.09604	2.8
262.40796	1.1
302.09317	1.0
317.11661	1.5
335.12952	1.9
347.12567	1.4
367.15500	5.6
379.15390	1.9
397.16534	4.6
491.20233	1.6
503.20615	2.7
521.21808	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2977
Annotation	Vielanin E
Peak:m/z	Relative Intensity
51.32521	0.3
53.22239	0.3
55.51838	0.3
71.31731	0.5
80.05022	1.2
81.05371	0.5
81.07055	0.3
83.12891	0.4
96.04519	0.5
96.73429	0.3
105.03403	0.3
124.03959	18.5
125.04301	5.4
136.64240	0.3
151.03850	0.5
233.19458	0.4
299.09076	0.4
300.06116	0.5
301.06110	0.4
313.10513	0.4
326.11169	0.4
327.11792	0.4
337.17673	0.6
340.12857	0.4
341.13535	0.9
342.10410	0.6
342.14258	0.6
343.11151	0.4
357.13184	0.4
365.21399	0.4
367.18817	18.5
368.19391	0.7
372.15326	1.0
374.12973	0.7
384.15103	0.5
416.17734	1.8
429.11792	0.4
445.23639	0.6
459.28766	1.3
463.24548	3.8
477.29791	1.3
481.25150	0.7
503.27692	9.7
504.27997	1.1
521.28687	7.7
539.29803	100.0
540.30157	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3137
Annotation	Batrachotoxin
Peak:m/z	Relative Intensity
54.76137	1.4
55.05511	3.3
57.02528	1.6
57.07080	7.1
57.63490	1.3
64.55318	1.4
66.47274	1.5
67.05504	5.7
69.02014	9.6
69.02436	5.6
69.07063	2.6
70.06602	3.8
71.08627	4.3
73.73354	1.4
73.75938	1.6
79.05493	4.3
81.07057	5.2
83.08601	2.0
85.10181	2.0
88.07626	7.4
89.06046	1.9
90.85593	1.6
91.05428	1.8
93.07053	2.9
93.67794	1.6
95.08616	3.6
98.06036	1.5
102.09186	3.2
104.66827	1.4
106.96814	1.3
109.10159	2.9
121.10191	2.4
122.34270	1.6
127.22811	1.8
131.08679	2.1
131.87012	1.4
168.49170	1.4
245.13957	1.5
256.26291	7.9
283.26224	2.1
284.29837	2.4
311.29440	9.6
521.30573	7.7
521.37628	2.3
539.31329	100.0
539.38458	5.0
540.31665	8.5
540.53607	24.0
541.51227	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82685	0.2
53.03952	0.2
62.85693	0.2
69.07081	0.2
69.09042	1.7
71.19106	0.2
73.09543	0.2
81.07048	0.3
85.46918	0.2
98.22647	0.4
105.03377	0.5
109.15037	0.2
112.52155	0.2
119.08604	0.2
127.71549	0.2
132.99141	0.2
135.30156	0.2
185.04222	0.5
256.76120	0.2
371.32587	0.2
521.32385	0.2
539.31897	100.0
540.32257	8.6
540.38397	0.2
540.40729	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
63.93443	0.1
67.05521	0.1
69.09665	0.8
93.07044	0.1
95.08611	0.3
98.22607	0.2
105.03390	0.2
136.53078	0.1
154.66905	0.1
156.47870	0.1
181.08609	0.2
185.04259	0.5
196.05141	0.1
203.05266	0.9
221.58771	0.1
249.14789	0.3
259.08005	0.5
321.22702	0.2
334.29501	0.1
377.26822	0.1
385.15390	0.1
539.31903	100.0
540.32227	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
55.01872	3.3
61.02916	3.3
61.65353	1.7
63.71325	1.4
65.03937	1.9
69.03424	5.1
71.21102	2.6
72.64291	1.7
75.32973	1.6
81.03435	1.9
85.02906	28.7
85.16882	1.9
91.03948	1.7
93.03407	1.9
95.04965	20.4
97.02899	8.6
103.05457	1.6
109.02863	3.4
115.73777	1.5
120.04099	1.4
121.06503	19.0
123.04434	16.9
125.02343	5.4
127.03897	7.6
138.09132	8.8
140.04681	96.9
145.04930	11.8
150.11879	1.5
155.07018	45.2
163.06061	3.0
167.03397	2.8
173.08125	2.9
181.04953	16.0
192.48444	1.8
199.06017	100.0
200.06361	3.8
274.27707	1.5
376.12134	7.0
540.19214	3.7
550.17682	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
53.03719	0.3
53.03942	1.1
54.42102	0.2
54.52271	0.3
55.05510	0.5
57.03421	1.1
67.05502	0.7
69.03429	4.3
69.07043	0.3
71.04990	0.3
71.28941	0.5
73.02892	0.4
77.03879	0.3
79.05483	1.2
81.03430	0.4
81.07050	1.1
83.04988	0.5
85.02902	2.3
86.09690	0.4
87.04469	2.4
91.05474	2.4
93.07056	0.7
93.35310	0.3
95.04938	1.3
95.08601	0.8
97.02898	2.6
99.04436	0.4
99.08122	0.3
105.04534	0.3
105.07027	1.0
107.04951	100.0
108.05293	1.7
109.06497	0.4
109.10161	0.6
111.04476	0.5
115.03930	3.0
119.08574	0.7
121.06509	0.4
121.10152	0.6
123.11725	0.5
127.03929	0.4
128.10791	0.3
131.08572	0.4
133.04958	3.5
133.06508	0.6
133.10133	0.4
135.04501	0.3
135.08076	0.5
135.11679	0.3
137.05988	2.3
145.04950	0.5
145.10144	0.3
147.08072	0.4
147.11700	0.3
149.06018	0.3
150.07613	0.9
159.07986	0.4
161.05917	0.5
161.09639	0.4
163.07587	0.7
165.09128	0.8
169.10107	0.4
175.05672	0.2
175.07561	0.5
177.09158	0.4
187.07573	0.4
189.09183	0.4
211.16911	0.3
245.58478	0.3
378.23264	0.7
505.82416	0.3
540.19843	0.3
540.27667	1.6
541.21167	1.0
541.29834	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23397	4.7
67.05489	6.5
69.71765	20.1
79.05486	5.6
81.07052	5.8
91.05489	5.8
105.03386	24.3
123.88952	4.4
191.08559	4.0
224.08295	7.1
227.07098	5.1
237.09171	4.6
240.07851	5.2
250.09937	5.1
255.06560	7.8
263.07019	4.5
265.08517	9.5
267.06799	4.5
267.10248	12.3
268.07193	7.5
269.08209	6.4
285.07635	11.3
293.11472	6.2
295.09546	17.5
297.07697	6.4
297.11243	5.8
298.08359	17.8
299.08997	8.3
309.11441	4.8
311.09277	5.1
312.09848	6.6
313.10608	10.1
315.08652	7.4
321.11224	11.5
325.10614	19.9
326.07809	5.0
327.08633	9.5
327.12195	17.7
328.09406	7.0
336.09622	8.5
337.10788	7.4
341.10181	51.1
342.10803	8.9
351.12070	13.6
352.12991	5.3
353.13910	9.6
357.13339	40.4
359.11145	11.8
369.13284	20.1
383.14902	28.5
401.15997	100.0
459.25275	13.9
483.40176	4.5
540.26514	13.8
541.34979	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98074	1.1
62.91071	0.8
63.75757	0.9
66.81889	0.9
67.53741	0.8
69.21079	7.4
90.30550	1.1
92.48817	0.9
98.23310	1.3
105.03413	1.5
165.06985	1.5
179.08548	1.6
181.06485	1.3
187.62405	1.0
194.07390	1.5
195.08099	2.0
196.08897	1.2
197.06093	1.4
198.06810	1.3
199.07550	1.6
207.08003	1.6
209.05966	1.8
209.09573	1.7
210.06721	1.7
211.07567	2.1
212.08272	1.4
218.07358	1.0
219.07993	1.9
221.05930	1.7
221.09651	1.2
222.10391	1.0
223.07549	3.0
224.08243	3.2
225.05490	1.6
226.06169	2.4
227.07057	8.4
233.09648	2.5
234.06635	1.5
235.07442	6.9
237.05412	4.4
237.09117	5.6
238.06152	1.6
239.06956	2.3
239.10667	2.9
240.07881	2.7
241.05057	1.1
241.08601	3.7
242.05757	1.9
243.06676	0.9
247.07550	2.4
249.05479	1.1
249.09219	2.1
250.06232	1.9
250.09921	3.7
251.07103	4.8
251.10461	1.6
252.07808	5.1
253.04971	2.2
253.08557	4.0
254.05728	2.1
254.09288	1.6
255.06497	16.2
255.10234	2.0
256.07047	3.3
257.08044	1.0
260.08426	1.7
261.09152	2.9
262.09784	1.9
263.07037	7.2
264.07782	2.7
265.04996	2.5
265.08560	8.0
265.12109	2.4
266.05722	1.6
266.09210	2.0
267.06537	4.3
267.10162	8.1
268.07181	2.7
269.08029	5.1
269.11725	2.2
270.05057	1.9
270.08749	1.6
271.05957	4.1
275.06866	1.9
276.07727	1.1
277.08499	4.6
278.09311	11.3
279.06564	1.9
279.10089	3.6
280.07263	6.4
280.10641	1.4
281.08023	5.8
281.11157	1.0
282.08813	4.2
283.06073	13.4
283.09335	2.1
284.06732	3.1
285.07529	4.3
286.08292	1.2
289.08630	3.7
291.06512	2.9
291.10153	3.4
292.10864	2.8
293.08075	4.5
293.11688	9.6
294.08658	1.7
294.12079	1.6
295.06036	2.6
295.09613	8.8
296.06674	2.1
296.10101	2.0
297.07590	3.6
297.11169	5.4
298.08334	55.0
299.09006	10.0
299.12439	1.5
300.06140	1.0
301.06982	2.1
305.07986	5.9
306.08762	5.0
307.09537	5.9
308.06784	1.7
308.10263	2.7
309.07629	5.6
309.10657	1.5
310.08377	3.0
310.12024	1.5
311.05408	3.6
311.09070	3.1
312.09720	4.7
313.07016	4.6
313.10623	31.1
314.07666	2.0
314.11127	2.3
315.08521	2.5
319.09616	2.1
320.10455	2.9
321.07532	3.6
321.11118	21.4
322.08246	2.8
322.11722	4.0
323.09097	5.6
323.12851	3.2
325.10641	9.2
325.14389	2.3
326.07858	16.8
326.11404	2.0
327.08533	5.9
327.12262	11.9
328.09247	4.4
329.06680	1.2
329.10187	3.4
336.09860	10.0
337.10632	10.3
338.11279	4.6
339.08615	1.5
339.12198	5.4
341.10175	100.0
342.10733	12.6
343.11688	2.0
344.08716	1.6
351.12210	16.0
352.12802	7.0
353.10080	3.2
353.13852	22.4
355.15271	2.7
357.13321	17.2
358.13629	1.2
359.11206	8.4
360.11786	1.0
368.12457	4.0
369.13309	3.6
383.14862	60.1
384.15091	4.3
384.19498	1.1
401.15906	68.6
402.16284	5.1
406.13019	1.1
540.22900	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43810	1.9
61.99160	1.8
69.07404	18.9
70.11288	2.0
71.10188	2.1
105.03404	2.7
179.08717	1.9
190.74255	1.8
210.57224	1.9
211.07451	2.2
224.08340	5.4
225.09081	2.3
227.07025	2.1
235.07495	4.2
236.08270	3.4
237.09100	5.5
238.06232	2.5
239.07004	4.0
239.10573	3.1
240.07893	2.1
241.08687	3.3
249.09015	2.3
250.06151	1.9
251.07074	3.3
252.07831	7.0
253.08589	3.8
254.09360	2.5
259.65308	2.1
263.07239	2.5
265.08646	10.6
266.09518	2.0
267.06821	3.4
267.10083	19.4
269.08450	2.5
269.11746	2.1
270.08502	2.8
279.10312	2.5
280.07266	4.4
281.08090	4.9
282.08838	4.7
283.06125	3.4
284.06918	3.4
285.07535	5.6
293.08118	4.6
293.11621	2.5
295.06387	3.6
295.09671	21.7
297.07578	6.1
297.11246	9.6
298.08472	5.4
299.09213	16.1
299.12482	3.4
301.06940	2.2
305.08356	2.2
309.11429	2.9
311.09183	3.5
313.07059	4.6
315.08444	2.1
325.10764	21.5
326.11407	4.2
327.08716	3.7
327.12305	6.0
328.09518	4.7
329.06744	2.4
329.10242	7.3
329.13812	3.2
336.10181	2.2
341.10187	5.2
342.10767	2.5
353.13824	5.4
357.13293	34.2
358.13654	2.2
359.11298	9.9
371.14868	9.7
383.14929	7.7
401.15927	100.0
402.16284	6.6
540.28137	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
71.32386	7.4
72.33393	5.0
75.57718	4.8
105.03384	8.4
106.03710	5.9
204.72960	5.9
235.72789	6.5
265.08752	6.5
267.10178	18.9
281.08051	5.7
292.80038	5.2
294.09079	5.1
295.09683	23.0
297.07904	6.7
297.11203	19.1
298.08301	11.0
299.09235	10.3
313.07190	7.7
325.10773	14.1
327.12582	7.0
341.10135	17.2
353.13809	8.2
357.13266	40.7
359.11194	10.3
371.14697	6.8
383.14850	11.4
401.15903	89.3
455.95728	6.6
481.14273	5.6
540.17670	12.3
540.26257	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	14.0
55.05505	28.0
57.50733	8.9
62.49395	10.8
67.05505	50.8
69.07058	26.4
71.30875	15.6
74.09526	8.1
79.05479	45.1
81.03420	70.7
81.07064	44.2
83.04981	11.4
83.08592	16.9
90.36243	11.1
91.05492	52.2
93.07038	25.9
95.01296	9.7
95.04971	24.9
95.08611	23.1
97.10169	10.7
104.10743	32.4
105.07025	69.9
107.04938	15.1
107.08623	14.9
109.10112	11.6
117.07024	19.2
119.08583	36.7
121.10167	13.1
129.07019	21.0
131.08582	26.5
133.10114	38.1
135.08063	9.9
137.06009	10.1
145.10130	22.9
147.11652	20.4
157.10155	10.1
159.11722	12.6
161.13258	12.4
173.13322	11.0
180.26140	9.0
186.73544	9.7
193.12238	11.5
259.98227	10.3
275.20114	52.2
343.11365	11.0
345.17395	10.0
424.27832	10.8
452.27237	12.7
481.23035	23.0
540.29230	100.0
541.35028	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08957	1.0
65.03935	1.6
67.05496	2.3
69.03422	4.5
69.46951	5.4
69.97723	1.1
73.02927	1.1
79.05486	7.3
81.03413	1.9
81.07056	3.2
83.04986	1.0
85.02905	14.5
91.03929	1.2
91.05466	9.5
93.07021	1.8
97.02875	6.8
97.06519	2.6
98.22668	1.2
99.04469	1.6
105.07039	5.9
107.04940	1.4
107.08592	42.0
109.06561	1.3
109.10136	3.3
111.04407	1.4
115.05443	3.8
117.07024	8.8
118.25745	0.9
119.06073	1.4
123.11732	1.2
125.06029	1.4
125.09637	5.7
127.03892	3.9
135.08047	100.0
136.08372	2.7
144.73386	1.1
145.04985	6.3
147.04385	5.8
149.05962	1.6
149.96745	0.9
153.09065	3.9
163.07536	84.9
164.07887	2.4
169.69940	1.1
175.14857	1.1
179.07088	2.2
181.08594	48.7
182.08830	1.2
199.09663	25.9
225.02992	1.0
274.19565	1.2
325.12756	2.9
541.22583	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47206	0.7
56.96528	0.6
57.03443	0.9
58.93367	0.8
67.05513	1.0
69.03432	2.7
70.66525	0.8
70.66875	0.8
73.02911	0.7
79.05498	1.3
81.03426	0.9
81.07027	0.9
85.02902	10.9
91.05482	11.1
94.04166	1.0
95.04956	3.4
97.02908	1.6
101.21330	0.7
101.95846	0.7
103.05462	2.3
105.07034	2.5
107.04957	3.2
109.02856	0.9
109.06518	2.5
111.04453	0.9
115.05412	1.1
117.07027	1.0
119.04945	8.2
121.06492	3.7
122.03635	2.9
127.03902	1.1
128.06194	1.0
129.07014	7.4
131.04933	3.0
133.06450	0.8
135.08080	3.1
136.05251	1.2
137.05978	45.7
138.06291	0.9
143.04936	0.8
145.04964	1.1
145.06490	2.3
146.03618	0.9
149.05980	7.1
151.03922	1.3
151.07539	55.3
152.06151	0.9
152.07906	0.7
157.06520	6.9
161.05998	7.2
161.09621	1.4
163.03889	1.3
163.07547	14.4
165.07025	2.5
165.09122	3.2
167.08551	6.6
171.08000	0.8
174.06787	4.1
175.07526	5.0
177.09106	6.4
178.07776	2.2
179.08592	0.9
182.07382	0.8
189.09105	20.4
190.09424	1.0
193.06503	2.8
193.10100	5.3
194.07280	0.8
195.08055	11.4
196.08737	1.0
203.08698	1.0
206.07187	1.4
207.08287	0.9
207.10236	3.1
209.06036	0.8
209.09615	2.9
210.06760	2.3
211.07587	0.7
212.08313	2.0
221.06017	4.1
221.09583	5.6
222.06676	1.1
223.07549	6.7
224.08267	1.6
225.09177	4.5
227.10648	15.1
228.10970	1.7
235.07349	0.7
237.09007	1.0
238.06284	2.0
238.09749	1.0
239.06897	1.1
240.07770	1.7
249.09105	2.6
251.06732	0.9
253.08582	7.9
253.12247	7.6
255.10164	16.3
256.10849	0.9
263.10556	0.9
265.08289	0.8
267.10202	2.2
269.08136	2.4
269.11765	1.7
270.08679	1.6
272.10419	1.9
281.11572	3.8
284.10410	1.6
285.11197	13.6
287.12762	30.6
288.12949	1.6
293.11673	1.2
298.12210	0.9
299.12775	2.7
301.14374	1.3
311.12817	1.5
313.14340	29.6
314.14572	1.3
325.14444	1.3
331.15375	100.0
332.15717	6.6
343.15469	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
57.03423	1.7
61.02913	1.2
67.05498	1.0
69.03423	3.5
69.29128	0.4
73.02909	1.5
75.19033	0.4
79.05488	2.2
81.03403	1.0
81.07047	0.9
83.04977	0.6
85.02903	8.6
91.05483	3.5
93.07045	1.4
95.08608	0.6
97.02876	3.8
97.06524	1.8
98.23389	1.0
99.04449	0.9
105.06999	1.9
107.08593	15.7
109.02908	1.1
109.10159	1.5
115.05440	1.1
117.06998	1.9
119.08576	1.1
121.10139	1.6
123.11697	2.0
125.09606	1.1
127.03902	3.0
128.06181	0.8
128.92331	0.4
129.07014	5.5
131.04980	0.7
131.08577	6.0
133.04959	0.5
133.10129	1.1
135.08051	19.4
135.09094	1.0
135.11652	1.1
136.08365	0.8
137.05977	2.1
137.09550	0.7
141.07001	4.8
144.05701	0.7
145.05009	2.6
145.06067	0.5
146.07220	0.5
153.09105	1.9
157.06491	5.3
158.07249	2.1
159.08092	5.3
160.05199	1.5
161.09639	0.9
163.07547	17.9
167.08209	0.5
169.06476	3.4
170.07253	1.7
173.06024	0.6
174.06755	13.6
175.07552	2.6
175.14839	2.4
180.08684	1.2
181.08577	11.1
186.06750	3.8
188.08345	0.6
189.09114	23.5
191.10684	2.1
193.15829	0.8
199.09668	2.7
201.09135	8.7
207.10205	0.6
211.16917	1.0
219.10161	100.0
220.10484	2.7
229.18106	1.1
237.11244	0.9
325.12845	8.4
343.13956	1.7
393.65033	0.7
541.22461	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
69.24617	9.2
85.02914	5.2
91.05480	11.9
94.04189	1.4
94.50161	1.2
95.04958	3.5
97.02908	2.0
103.05482	1.3
105.07049	2.6
107.04962	3.1
109.06535	2.1
115.05447	1.3
117.06976	1.3
117.38541	1.0
119.04949	10.2
121.06525	3.6
122.03651	2.3
129.07008	8.7
131.04944	2.8
131.08566	2.5
135.08047	3.1
136.05205	1.4
137.05978	53.1
143.04913	1.3
145.06511	1.4
149.05988	8.5
151.03931	3.2
151.07549	74.7
152.07867	1.8
157.06503	7.4
159.08023	2.1
161.05965	7.1
161.09625	1.8
163.03734	1.3
163.07544	15.4
165.07019	2.8
165.09163	2.8
167.08528	7.0
169.06493	1.4
174.06732	7.7
175.07588	3.4
177.09140	3.1
179.08539	1.2
189.09114	28.4
193.06514	2.7
193.10159	4.2
194.07443	1.4
195.08063	13.1
196.08693	1.5
201.09190	1.3
207.08191	1.5
207.10229	4.3
209.09613	1.8
210.06743	1.8
212.08311	3.3
219.10153	18.3
221.05983	4.4
221.09625	4.2
223.07532	5.9
224.08296	2.2
225.09033	5.5
227.10655	20.2
231.08185	1.2
237.09016	1.9
238.06339	1.4
240.07747	1.4
241.12268	1.5
249.09000	5.6
252.07886	1.2
253.08542	7.8
253.12228	8.4
255.10149	20.4
256.10602	2.0
267.10263	3.4
269.07935	2.1
272.10455	2.7
281.11707	3.3
285.11200	12.7
287.12787	42.3
299.12790	2.3
301.14359	2.6
313.14340	37.8
314.14749	2.1
331.15396	100.0
332.15723	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74580	1.3
68.41720	1.6
69.42781	2.5
69.43180	7.3
87.14123	1.7
91.05503	2.9
103.05456	7.8
117.06973	2.1
119.04965	1.8
121.06519	1.8
122.03638	1.7
129.16373	1.5
131.04941	18.3
137.05968	27.5
142.27968	1.8
151.07558	14.8
152.56657	1.6
161.05971	3.5
162.06715	2.1
163.06226	3.0
163.07547	37.6
175.07556	2.4
177.09120	100.0
178.09457	4.3
189.09142	2.8
195.08112	3.6
221.09763	2.1
221.11705	14.5
227.10693	3.2
253.12256	1.6
255.10152	3.7
287.12784	6.0
299.12546	1.7
311.12811	2.1
313.14426	9.1
331.15390	19.2
343.15488	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24972	2.4
70.23744	9.7
85.02892	3.3
129.07042	4.0
131.08568	4.6
141.06961	3.5
157.06473	6.2
159.08104	4.2
174.06776	8.6
189.09132	23.0
219.10167	100.0
220.10381	2.8
259.71710	2.8
262.73611	2.8
293.16815	3.2
310.86438	2.7
327.36697	2.7
364.75677	2.9
381.09387	3.3
441.56970	2.8
501.75500	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	0.4
62.71943	0.4
69.03414	1.1
70.34966	0.9
78.03277	0.4
79.66734	0.4
81.03419	0.7
84.32648	0.4
85.02902	4.3
91.05466	0.9
95.25082	0.4
97.02871	2.0
107.08620	1.1
115.05432	0.7
121.58530	0.4
127.03893	0.7
128.06186	0.5
129.07008	5.3
131.04929	1.0
131.08582	5.5
135.08064	1.3
137.05952	1.9
141.06996	4.6
145.04932	0.8
146.07149	0.7
157.06490	5.2
158.07259	2.5
159.08054	4.6
160.05157	0.8
161.09650	0.6
162.07587	0.8
163.07529	1.9
169.06474	2.1
170.07292	0.9
171.08061	0.4
173.09732	0.4
174.06764	10.6
175.07552	3.0
180.08707	1.2
181.08615	1.6
186.06685	2.6
188.08340	0.8
189.09105	21.7
190.09433	1.1
191.10657	1.7
199.09598	0.6
201.09106	8.7
207.10175	0.6
219.10161	100.0
220.10539	4.2
222.45879	0.6
231.42107	0.4
237.11220	1.2
325.13000	0.8
340.12387	0.4
366.09265	0.4
381.15402	0.7
497.16055	0.9
541.14716	1.3
541.22339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.6
59.30678	1.5
64.94640	1.6
66.84622	1.5
69.23957	2.8
69.24355	10.9
73.97680	1.3
79.05501	2.7
85.02899	2.0
91.05481	11.0
95.04953	2.5
98.23409	2.8
100.11233	3.7
103.05461	15.6
104.05777	2.1
105.03362	1.4
105.07021	3.7
107.04950	14.3
108.05286	4.1
109.24762	1.5
115.05460	3.0
117.07038	2.8
119.04979	7.7
121.06537	2.5
122.03656	4.7
123.04412	1.9
123.11700	1.6
129.07013	4.7
131.04918	17.1
133.06487	3.4
135.08092	3.2
136.05180	2.0
137.05980	56.2
138.06320	5.3
145.06412	3.6
149.05951	5.4
149.09569	2.1
151.07538	39.9
157.06506	3.4
160.05186	1.7
161.05994	10.4
161.09552	1.7
162.06612	2.1
163.07541	60.8
164.07944	8.6
165.06908	2.2
167.08591	1.7
170.15413	1.7
174.06812	1.6
175.07541	6.2
177.09108	100.0
178.09412	2.8
181.08549	5.1
182.08896	3.3
189.09052	11.1
195.08086	6.7
195.10098	2.8
203.07057	3.2
204.07689	6.9
205.08202	4.2
207.10088	2.9
217.08553	3.1
218.08929	1.6
221.06013	4.3
221.09732	3.3
221.11722	13.2
223.07625	3.6
225.09018	2.0
227.10608	10.3
249.09152	2.3
253.08575	4.4
253.12212	4.5
255.10214	10.8
264.07889	2.2
267.10187	2.6
281.11761	2.1
285.11230	7.5
287.12787	20.8
293.07889	1.6
299.12747	2.0
311.12784	2.2
313.14346	18.0
331.15359	50.1
332.15588	2.2
341.13812	2.6
342.14130	6.0
343.15298	2.6
354.14078	1.8
510.22290	2.3
522.22076	2.0
540.44781	6.8
541.68732	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	4.7
79.05495	9.0
83.08614	5.5
85.02912	5.4
85.79505	4.8
91.05482	10.6
97.31769	4.5
100.11237	9.3
103.05485	8.0
106.91553	4.5
109.54497	5.4
116.09729	4.7
119.04927	5.5
131.04938	20.3
133.06499	20.1
135.04416	46.1
137.05974	100.0
137.94304	5.4
138.06352	14.7
149.06038	7.0
151.03860	5.1
151.07587	9.7
157.06412	7.5
161.05992	21.2
163.07510	28.9
165.09125	9.9
177.09100	7.7
189.09145	5.9
205.08301	5.2
210.14847	6.9
265.08517	5.2
293.11731	11.5
321.40558	5.0
325.14288	20.8
343.15274	5.4
487.19189	5.7
540.28546	5.7
541.20978	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.4
55.05520	2.2
57.03436	3.8
58.50256	2.0
61.02913	2.1
69.03420	7.5
71.04996	8.2
71.30941	2.7
71.31651	2.2
78.15707	1.8
79.05476	5.0
81.07069	2.1
85.02901	19.1
91.05470	15.8
93.07056	3.0
94.04169	2.0
95.04982	3.9
97.02888	6.9
103.05481	8.8
105.07051	4.8
106.07370	1.9
107.04955	61.3
107.08595	3.4
109.02897	3.0
115.05447	5.8
117.07030	4.2
119.04944	6.2
119.08561	3.2
121.06553	4.0
122.03694	4.6
125.06010	3.1
127.03885	3.8
129.05432	3.9
129.07001	3.9
131.04944	12.8
133.06526	3.6
135.08098	6.7
137.05983	100.0
138.06313	4.5
141.82195	2.0
143.08588	2.2
145.04955	4.1
145.06531	4.4
145.07611	1.9
145.10158	2.4
147.04427	7.0
147.06483	3.1
147.08087	2.5
148.08824	2.1
149.05971	4.8
151.03876	5.4
151.07524	12.0
153.05470	10.2
153.77739	1.8
157.06503	3.0
159.08054	2.6
161.06000	11.8
161.09657	6.7
162.06761	2.1
163.07538	61.7
164.07925	2.8
165.09090	3.8
167.05826	2.2
167.07034	11.1
169.04955	4.0
173.09636	4.7
174.04498	2.1
174.06818	4.3
175.07562	5.6
177.05525	3.2
177.09109	15.5
179.06996	6.8
181.04922	2.6
181.08640	2.5
189.09055	13.6
201.09117	6.4
203.10698	6.8
203.20296	2.0
205.12253	8.0
219.10207	5.5
219.13835	7.5
221.11681	2.5
237.11263	2.6
262.09552	2.0
293.11679	18.2
313.14352	11.2
325.14252	10.0
343.15408	7.2
361.16431	3.6
377.22885	2.9
378.23386	5.9
432.14856	2.1
448.44211	1.9
487.22974	4.0
540.21356	25.1
540.29034	4.8
541.09540	2.8
541.16656	8.8
541.29968	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.4
59.39666	3.1
69.33800	3.3
79.05484	5.8
85.02924	3.1
91.05473	12.5
94.04173	3.3
95.04944	4.7
100.11295	3.6
103.05505	16.2
105.07025	8.3
107.04974	23.7
108.05296	6.9
108.11429	3.1
109.06561	4.4
111.04395	4.5
115.05462	4.9
119.04952	5.5
121.06457	5.8
122.03665	5.7
123.04441	4.3
129.07022	5.4
131.04916	11.1
133.06458	7.5
135.04391	4.1
135.08031	4.7
137.05972	61.8
138.06331	19.5
143.08524	4.5
145.06505	4.8
147.04411	7.2
149.05943	4.8
151.03917	25.8
151.04993	5.9
151.07565	21.7
152.04259	5.1
153.05470	4.3
159.08070	7.0
161.05963	21.1
162.06511	5.9
163.07532	38.5
164.07881	8.7
165.09116	6.5
167.07085	8.6
175.07559	11.3
177.05450	5.1
177.09100	100.0
179.06960	4.1
181.04929	4.1
181.08606	9.8
182.08908	7.9
187.07472	3.6
188.08212	4.1
189.09070	8.8
190.06015	4.0
193.08592	31.2
195.08179	3.8
195.10106	4.5
203.06941	4.6
204.07637	11.9
205.08272	7.5
217.08510	6.8
219.10101	3.9
219.75175	3.5
221.11703	13.4
225.09256	4.0
237.11098	4.5
239.07039	3.8
265.08713	6.5
266.09009	5.5
279.09958	5.8
283.09683	3.7
283.13126	4.1
297.11298	3.5
302.05679	4.6
311.12537	6.0
323.12439	5.0
331.15540	3.8
340.12741	6.0
341.13550	13.3
342.14145	7.0
354.14032	4.5
361.16528	7.2
367.15323	4.1
368.15842	3.8
497.64618	4.1
510.21942	4.6
522.21765	3.8
540.44830	7.1
541.29529	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.9
51.02370	1.8
52.05369	0.6
53.03947	11.3
54.75798	0.6
60.05642	1.0
65.48193	0.7
66.80466	0.5
77.03920	2.0
81.03436	0.5
83.43080	0.5
91.05476	0.6
95.04967	11.2
97.06533	0.5
97.78111	0.6
105.03391	100.0
105.04536	4.6
106.03728	1.7
108.60546	0.6
129.06995	2.4
131.08592	1.2
139.07536	2.2
159.08006	0.8
182.09448	1.2
191.10710	2.7
219.10194	2.7
223.33215	0.6
235.11200	0.7
249.09300	0.7
255.10298	0.7
263.10678	2.0
264.11453	1.4
266.09250	0.9
272.10428	0.7
276.97549	0.6
278.12869	0.6
279.10287	1.4
280.10898	1.2
281.11722	3.7
292.10776	1.1
294.12326	0.8
295.13321	1.1
300.09924	1.3
301.10751	1.8
305.11929	0.7
307.09756	1.4
307.12921	0.7
308.10452	1.6
309.11282	1.0
311.12836	0.7
315.12100	1.1
316.13116	2.0
320.13379	0.8
322.12000	0.7
323.12747	8.6
324.13327	0.7
334.14124	0.9
335.15262	0.7
337.14484	0.7
338.15131	10.4
339.12280	2.2
339.15961	1.2
340.12903	0.8
347.14993	0.8
354.14508	1.8
355.15472	1.2
369.17038	1.6
370.17709	1.8
385.14197	1.4
386.17087	2.4
387.17950	0.9
396.62625	0.7
399.15796	0.6
400.16544	3.3
401.19574	65.3
402.19974	4.8
416.16229	0.8
431.18423	8.4
432.18863	0.9
463.21091	15.5
464.21802	1.4
487.21289	0.7
505.22134	3.2
540.33044	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.5
51.02382	1.4
53.03948	6.9
55.01860	0.5
55.05501	0.6
65.73891	0.5
71.21457	0.6
77.03912	0.9
81.03388	0.8
89.61288	0.5
93.07086	0.7
95.04961	7.0
105.03393	100.0
105.04539	3.4
106.03727	1.9
119.08581	0.6
165.98753	0.5
237.09175	0.7
239.10651	0.7
267.10272	0.7
269.07925	0.7
283.09531	0.6
293.08060	0.6
295.09290	0.5
295.13306	0.8
297.07663	0.8
297.11209	1.0
323.12714	0.8
325.10669	1.1
342.10880	0.6
355.15433	2.8
357.13351	2.2
359.11179	0.7
369.13315	2.7
387.18073	2.7
401.16156	2.3
449.16022	0.8
459.18063	1.7
459.25302	1.3
460.18912	0.7
491.20557	12.3
492.21030	1.3
500.05090	0.5
540.27844	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.8
55.05525	3.7
57.03444	7.9
67.05508	4.8
69.03433	7.0
69.07079	11.6
69.36275	7.2
69.36702	18.3
69.43590	3.4
71.04990	5.3
73.02930	4.6
74.84665	3.4
79.05524	4.8
81.07060	18.2
83.08643	5.9
85.02890	16.0
88.39196	3.2
90.25805	4.0
91.05474	5.9
93.07029	7.0
94.73463	3.9
95.08623	16.6
97.02892	9.8
97.06535	10.0
98.23328	4.5
99.04482	6.3
101.77982	3.7
105.07060	5.9
107.04977	4.6
107.08587	15.1
109.06535	7.0
109.10172	25.9
115.07556	8.0
118.70827	3.9
119.08604	16.8
121.10130	7.6
123.11747	8.1
127.03911	4.1
133.04996	4.1
133.10129	20.1
135.11696	27.3
137.05974	44.8
145.04962	4.1
149.13239	5.0
151.03813	6.5
151.07613	8.8
153.12697	8.1
159.08014	5.8
163.07484	7.5
175.14828	37.5
179.88403	3.8
181.12190	4.1
189.09174	17.0
193.15869	40.9
195.06612	3.5
207.09999	3.6
211.16936	100.0
211.18962	5.7
212.17268	5.7
219.10170	9.6
247.09407	5.0
247.13303	7.9
249.11224	19.1
313.01175	3.1
325.07126	7.1
343.15561	4.5
353.55655	3.6
408.11203	4.5
493.76617	3.6
517.78931	3.6
541.22852	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.1
55.05507	4.3
57.03437	5.8
57.07103	2.3
61.02930	2.6
67.05510	7.9
67.71150	1.8
69.03432	8.6
69.07076	10.6
69.20168	3.7
69.20491	15.7
71.04993	6.6
73.02916	6.1
79.05489	6.6
81.03418	2.4
81.06663	2.4
81.07053	14.2
83.08602	5.9
85.02907	18.6
85.06532	2.2
91.05515	4.5
93.07043	11.2
95.05013	3.1
95.08611	20.2
95.95682	1.8
97.02887	10.1
97.06558	10.2
99.04453	6.7
103.05473	3.5
105.07033	9.2
107.08595	14.1
109.06521	7.0
109.10162	16.4
111.08091	3.3
113.09691	2.8
115.03915	4.3
115.07567	6.2
117.07027	2.6
118.63023	2.1
119.08568	12.8
121.10162	11.0
123.04405	2.4
123.08114	5.5
123.11711	10.8
125.09618	2.7
127.03920	5.9
127.11232	2.7
131.04900	3.5
133.04955	8.3
133.10129	27.5
135.11694	28.6
137.05989	17.6
137.09618	6.1
145.04971	4.5
147.04388	2.3
149.13295	6.7
151.07542	11.0
153.12712	3.5
161.05928	3.1
163.06108	4.1
163.07573	6.7
165.09090	12.0
175.07513	3.7
175.14827	49.4
177.09114	20.2
177.16350	3.6
181.08661	2.6
181.12309	2.1
189.09097	4.4
191.10654	2.9
193.15892	51.9
199.13226	2.5
211.16936	100.0
212.17215	5.0
219.10130	3.6
221.11722	4.8
227.10693	3.9
249.60452	2.3
259.08249	2.7
287.12753	2.6
295.10260	2.2
313.14191	2.1
331.15417	13.7
377.28305	2.2
508.20569	2.4
541.20093	2.9
553.23767	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
55.05527	3.9
65.00271	0.8
67.05499	5.9
69.03429	1.6
69.22881	3.5
69.23308	2.8
79.05495	2.5
81.03405	1.0
81.07043	5.5
83.04993	9.3
84.66109	0.7
90.70759	0.9
91.05484	6.1
93.07041	9.1
95.04960	2.1
95.08604	9.0
97.02873	0.9
97.06507	1.4
98.23315	1.6
103.14671	0.8
105.07024	6.5
107.08608	3.5
109.02913	0.9
109.06516	3.1
109.10140	1.3
111.04438	5.5
111.08094	5.0
115.05468	0.8
117.06979	4.0
119.08578	10.7
121.06528	1.8
121.10146	2.2
123.08051	1.4
128.06229	2.7
129.07002	4.0
131.08543	6.3
133.06543	0.8
133.10146	7.0
135.08066	3.6
137.05949	4.6
139.07541	3.2
141.06995	3.2
142.07797	2.2
143.08600	5.7
145.06540	1.5
145.10182	4.7
147.08025	2.3
147.11696	2.6
149.09619	1.8
154.07771	2.5
155.08565	11.7
156.09352	1.6
157.06519	1.5
157.10126	5.1
159.08049	1.4
159.11682	4.9
161.09628	2.8
161.13298	0.9
163.11209	1.1
165.06998	2.2
166.07755	1.5
167.08604	3.8
168.09242	1.8
169.10123	6.2
171.08090	1.8
171.11707	4.4
172.08775	1.1
173.05937	0.9
173.09573	3.1
173.13200	1.1
175.11206	1.1
178.07764	1.4
179.08559	4.2
180.09329	1.7
181.06552	0.8
181.08669	0.9
181.10129	3.1
182.07239	0.9
182.10844	1.4
183.08035	0.8
183.11626	4.2
185.09599	1.3
185.13272	1.5
187.11185	5.5
192.09343	2.4
193.10114	5.1
194.10921	2.5
195.08057	3.4
195.11725	3.1
197.09624	8.5
197.13269	2.4
199.11206	1.1
199.14873	1.1
204.09270	1.7
205.10127	3.9
206.10896	2.6
207.11653	6.8
208.12347	1.7
209.09595	2.2
209.13332	5.1
210.10364	0.9
211.11191	1.7
213.12875	1.1
215.08696	1.4
215.10631	10.5
216.09297	1.9
217.10133	2.9
218.10898	3.2
219.11725	5.8
220.12477	3.1
221.09648	1.1
221.13280	4.5
222.10451	0.8
223.11198	1.8
223.14793	1.3
225.12764	1.9
227.14326	1.5
229.10231	3.0
230.10841	1.9
231.11668	4.1
232.12411	1.8
233.09665	1.3
233.13290	3.1
235.11166	2.4
235.14746	2.1
237.12645	2.1
239.14235	1.2
241.09705	0.9
243.11711	4.5
244.12486	3.6
245.13246	6.0
245.15442	1.9
246.13914	2.1
247.11191	2.4
247.14780	2.6
249.12746	2.1
249.16406	1.5
251.14507	0.9
253.12286	1.3
255.11479	1.1
255.13783	3.0
256.12451	1.3
257.10712	0.9
257.13135	4.3
258.14050	2.6
259.11255	2.0
259.14780	5.5
260.11911	0.9
260.15616	2.3
261.13077	1.8
261.16266	2.2
263.14423	1.1
267.13779	2.3
269.09494	0.8
269.13290	2.6
270.13983	1.8
271.14850	3.7
272.12079	1.3
272.15588	2.5
273.12717	1.7
273.16354	3.8
275.14117	1.1
275.17786	1.4
277.15826	1.1
283.14670	1.3
284.15686	2.2
285.12833	2.7
285.16360	4.3
286.13702	1.6
286.17020	1.8
287.14294	3.2
287.17725	1.4
289.12170	1.1
289.15594	1.4
291.17450	1.1
297.12650	1.1
297.16257	1.2
299.14603	1.4
299.17880	3.1
300.18472	1.1
301.15872	3.7
301.19208	1.5
302.16595	1.7
303.13959	1.6
303.17447	2.3
303.20862	0.9
305.15347	1.9
306.16110	0.9
312.15027	1.1
313.15781	1.7
313.19351	1.9
314.20306	1.4
315.17624	1.0
315.21036	1.3
317.15607	1.4
318.16431	1.5
319.16791	1.4
320.17758	1.0
323.20300	1.4
327.17413	3.6
329.19061	1.9
331.20642	1.0
333.18216	1.2
342.19739	3.2
345.18402	3.3
359.20569	1.0
360.20706	1.3
381.22623	0.9
399.23285	4.8
401.21228	1.5
413.24677	6.1
415.26779	4.1
419.21979	0.9
423.23108	2.5
431.25754	6.3
432.54114	1.0
441.24249	43.9
442.24551	4.1
459.25290	100.0
460.25620	9.0
463.21820	1.4
477.26358	8.4
541.35168	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	1.3
60.10091	1.2
67.05518	2.3
69.03425	2.4
69.28023	8.8
79.05512	3.2
81.03432	2.5
81.07080	5.3
91.05484	3.9
93.07059	3.6
95.04978	2.6
95.08630	1.8
105.07036	10.1
107.04976	4.8
107.08614	4.8
109.06532	1.9
115.05483	2.8
117.06998	2.8
119.08611	5.3
121.06528	4.0
123.08074	2.4
128.06300	2.7
129.07025	4.9
131.08577	7.6
133.06529	4.8
133.10187	3.1
135.08066	4.3
137.05942	1.5
141.06993	2.4
142.07767	9.4
143.08572	9.5
145.06532	2.4
145.10167	6.3
146.07208	1.8
147.08034	7.3
147.11702	1.7
154.07780	2.0
155.08560	7.6
156.09337	3.9
157.06569	1.4
157.10130	22.1
159.08102	1.8
159.11699	3.9
160.08855	1.9
161.09618	8.6
163.07526	1.9
163.11092	1.4
164.07910	1.7
165.06947	1.8
166.07748	1.8
167.08568	5.5
168.09302	2.0
169.06532	2.1
169.10136	18.3
170.07385	1.6
171.08073	5.2
171.11691	8.9
173.09612	3.9
173.13184	2.9
175.11169	12.4
179.08575	2.6
180.09390	2.2
181.10141	6.0
182.07310	2.6
183.07961	1.9
183.11633	6.7
184.12234	1.4
185.09630	11.2
185.13257	1.6
186.16998	1.4
187.11197	1.5
189.09128	2.5
192.09198	1.5
193.10106	2.7
194.10858	3.9
195.11722	4.5
196.12529	3.5
197.09578	11.5
197.13231	3.6
199.11198	8.6
201.09128	2.0
201.12708	1.5
203.08765	3.0
203.10670	33.5
203.12494	2.7
204.10968	2.1
205.10191	2.7
205.12267	1.7
207.11691	4.7
209.09650	2.5
209.13268	7.1
210.14098	1.7
210.71355	1.3
211.11223	2.8
211.14806	22.4
211.16660	2.2
212.15508	2.7
213.12842	1.7
213.16394	3.9
217.12184	2.4
219.11832	1.4
221.09682	1.5
221.11761	18.7
221.13393	3.4
223.11206	5.7
223.14830	3.8
224.11993	2.5
224.15381	1.8
225.12802	2.6
225.16389	2.8
232.12460	1.4
233.13432	1.5
235.11295	2.4
237.12810	3.0
237.16348	2.5
239.14313	21.1
240.14993	3.0
241.12288	2.8
243.13861	1.4
245.13290	2.3
247.14941	1.6
253.12204	1.9
255.13824	3.1
257.15369	10.3
259.14954	1.7
261.12772	1.5
269.15512	1.5
273.16315	1.4
287.17944	2.0
319.32703	1.3
327.17444	1.8
395.23889	2.9
413.24887	7.7
415.26431	1.9
423.23099	6.6
431.25833	100.0
432.26154	9.1
433.27487	3.2
441.24222	8.5
459.25311	62.2
460.25571	6.7
477.26373	54.2
478.26779	3.9
495.27573	3.0
540.22931	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	1.1
57.07085	1.3
60.05983	0.9
60.47287	0.7
61.41199	0.8
64.34394	0.9
67.05489	0.9
69.75890	0.8
71.08608	0.8
71.31371	0.9
73.74123	0.8
74.09716	16.3
75.10076	0.8
79.05529	0.9
81.07056	1.6
88.07626	0.9
90.49889	0.8
91.05441	1.1
93.07024	1.6
95.08611	1.1
102.09236	0.8
103.29800	0.8
105.07050	1.0
106.05924	0.9
129.07001	0.9
148.10411	0.8
153.51605	0.8
190.07739	1.4
191.08821	1.0
192.09306	0.9
202.07678	1.0
203.08597	1.2
205.06503	1.3
205.10130	1.6
207.08058	2.8
215.08507	1.3
216.09288	0.9
218.07191	4.3
219.08023	4.9
220.08762	2.0
221.05949	1.3
221.09605	1.6
222.10503	2.3
223.07527	1.6
224.08266	1.3
231.08145	1.5
232.08859	1.7
233.06009	1.4
233.09612	6.7
234.06757	1.0
234.10257	2.8
235.07545	12.7
235.11002	1.3
236.08200	2.2
237.09024	1.8
237.12819	1.0
246.01971	0.9
246.06784	2.2
247.07518	8.8
247.11240	0.9
248.08324	2.9
249.05396	2.3
249.09114	7.0
250.09874	11.1
251.10283	1.1
255.06570	1.3
259.07544	0.9
260.08234	1.3
261.09082	8.6
262.07275	1.1
262.09857	8.5
263.07050	9.7
263.10568	3.7
264.07776	2.8
264.11484	1.3
265.08704	3.8
265.12164	8.0
270.37177	0.9
274.27240	1.0
275.07028	3.8
275.10632	1.8
276.07870	3.9
277.08585	9.6
278.09344	17.8
279.06866	1.3
279.09995	2.7
280.10889	2.0
289.08585	2.7
290.06195	1.1
290.09265	4.9
291.06580	2.9
291.10159	8.8
292.07651	1.2
292.10941	10.4
293.08124	7.6
293.11716	16.7
294.08670	1.9
294.11826	1.4
304.07227	1.8
305.08084	12.8
306.08789	4.7
307.09616	3.2
308.10464	6.9
309.10974	1.1
311.29825	1.5
319.09647	8.1
320.10403	21.6
321.07544	4.2
321.11151	12.9
322.11581	1.1
323.12747	8.0
324.12799	1.0
335.09052	2.4
336.09988	4.4
350.11438	10.3
351.12250	100.0
352.12674	6.8
366.10767	1.2
381.13312	77.3
382.13571	5.8
540.32861	0.9
540.53113	2.2
541.12378	5.1
541.33636	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06018	0.3
52.09637	0.3
57.07019	0.5
69.24265	3.0
72.74572	0.3
72.82783	0.4
92.82582	0.4
190.62218	0.4
204.09305	0.4
207.08081	0.4
219.08037	0.6
233.09572	1.0
235.07562	0.7
245.09596	0.5
246.10448	0.5
247.07565	1.1
247.11206	0.5
248.08299	1.0
249.09079	1.5
250.09810	1.1
251.10597	0.4
256.26318	0.6
259.07504	0.5
261.09048	1.5
262.09882	4.7
263.06995	1.2
263.10513	1.2
264.11514	0.6
265.08524	0.6
265.12180	1.7
273.09235	0.4
274.10001	0.4
275.06906	0.6
275.10669	0.7
277.09058	2.3
277.11856	2.5
278.09332	3.0
278.12601	0.6
279.10083	1.2
280.10889	0.3
284.29364	0.5
289.08685	1.1
290.09293	2.2
291.10190	1.8
292.10931	2.9
293.08481	0.5
293.11679	7.3
303.10043	0.9
304.07263	0.4
304.10971	0.6
305.08060	2.5
305.11710	4.3
306.08856	0.7
306.12347	0.5
307.09537	1.0
307.13290	2.8
308.10367	1.4
308.14056	3.3
309.11179	0.5
311.29315	0.6
319.09753	1.8
320.10446	11.2
321.11191	7.7
322.08167	0.5
322.11691	1.0
323.12778	3.5
324.13373	0.5
335.12762	100.0
336.09885	0.5
336.13324	9.7
337.14191	0.6
351.12259	11.8
352.12845	0.9
365.13800	4.2
366.14618	79.3
367.15170	7.1
397.16458	41.7
398.16727	2.6
540.53436	1.2
541.18225	5.2
541.35168	1.0
541.54297	0.6
542.18585	0.7
566.45294	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	0.6
55.05457	1.3
67.05492	2.1
69.02650	1.0
69.03053	4.5
69.07038	1.0
70.32785	0.4
79.05439	1.7
81.03368	2.1
81.07069	2.3
83.04921	1.5
83.08585	0.8
91.05485	2.8
93.06980	2.0
95.04903	1.0
95.08550	1.3
102.96725	0.5
105.07047	2.3
107.08498	1.4
109.06473	0.6
109.10104	0.8
111.08041	0.5
117.06924	1.0
119.08505	1.8
121.10081	1.1
125.41132	0.4
126.68757	0.4
129.06937	0.9
131.08498	1.4
133.10034	1.2
143.08498	0.8
145.10080	0.8
147.11595	0.7
149.09604	0.6
155.08684	0.6
157.06491	0.7
157.10060	0.8
159.11685	0.8
169.10127	0.8
171.11620	0.6
173.09566	0.9
173.13147	0.4
181.10062	0.7
183.11705	0.7
193.10178	0.6
193.12108	0.7
195.11717	0.6
223.14653	0.5
250.98320	0.5
275.20135	2.6
367.18790	100.0
368.19107	6.1
401.24744	0.7
429.68326	0.4
443.26062	1.2
447.24817	1.1
461.27142	2.6
461.78247	0.5
465.26108	62.0
466.26419	4.4
541.27734	59.3
541.35144	5.5
542.27924	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2931
Annotation	TMC-1D
Peak:m/z	Relative Intensity
53.38348	1.5
54.74445	1.3
56.96568	10.3
62.30485	1.5
64.68937	1.3
65.88206	1.5
67.05487	1.4
71.31792	2.8
73.32868	1.5
75.87300	1.5
76.94177	1.5
79.05469	2.3
81.07066	3.5
81.16694	1.4
93.07072	1.9
95.04931	1.5
95.08606	3.6
105.03406	2.9
137.05966	1.5
267.13522	1.6
277.16724	1.5
311.15585	1.7
345.17490	2.3
359.19086	1.6
367.19073	1.8
382.19040	1.7
442.24567	2.7
443.25592	1.6
460.25659	14.6
465.23251	7.3
483.23874	2.9
501.24738	1.7
505.28339	1.7
523.28607	5.6
541.29388	100.0
542.30182	7.7
559.29327	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.5
55.01871	13.2
55.05510	26.1
57.03437	2.2
57.07067	3.8
65.03942	7.3
67.05508	61.6
69.03434	9.4
69.07071	40.3
71.04975	6.6
71.30669	4.2
71.31027	4.3
73.06539	3.2
77.03934	2.9
78.70971	2.3
79.05061	3.6
79.05498	50.2
81.03421	95.4
81.07062	79.8
83.04562	2.7
83.04984	14.9
83.08624	19.0
85.06564	3.7
91.05487	82.0
93.05328	2.1
93.07055	62.1
95.01323	13.1
95.04966	33.4
95.08041	4.5
95.08614	57.2
95.09229	3.6
97.02869	3.5
97.06540	22.5
97.10150	5.9
103.05478	3.0
105.07036	100.0
107.04963	26.3
107.08593	36.7
109.06520	17.7
109.10168	16.7
111.04453	7.5
111.08097	17.6
115.05489	5.0
117.07017	27.6
119.08589	63.3
120.99290	2.1
121.06513	9.3
121.10146	26.3
123.04440	3.9
123.08082	8.9
123.11713	8.0
125.09637	7.1
128.06216	5.9
129.07014	19.6
130.07837	3.4
131.08583	48.1
133.06491	6.3
133.10129	57.0
135.08078	8.2
135.11671	12.1
137.05995	21.7
137.09645	4.9
139.07536	8.1
141.07014	6.8
142.07791	10.5
143.08583	24.9
145.06477	6.4
145.10127	35.5
147.08011	13.1
147.11681	32.9
147.12752	3.2
149.09637	12.3
149.13289	4.6
155.08583	15.6
156.09320	7.5
157.10123	40.6
159.08067	7.1
159.11688	35.3
161.09625	7.9
161.13248	11.7
163.11180	7.0
165.09145	4.2
165.12738	2.9
167.08551	8.9
168.09326	4.1
169.10132	25.0
170.10840	3.5
171.08075	4.2
171.11702	25.3
173.09641	7.3
173.13269	10.7
175.11206	12.7
177.12740	7.5
179.08447	3.5
179.10727	3.7
179.14339	17.1
180.09294	2.9
181.10161	11.0
182.10858	4.6
183.08156	3.2
183.11687	18.3
185.09647	9.5
185.13254	19.6
187.11194	10.3
187.14822	7.1
189.12791	4.2
191.10526	3.4
193.10271	5.9
193.12263	14.9
195.08105	3.3
195.10110	3.7
195.11732	14.1
195.13422	2.2
197.09644	6.5
197.13297	20.5
199.11145	8.0
199.14842	6.8
201.12759	5.2
201.16443	4.3
203.14368	2.7
205.10248	2.5
205.12238	4.7
207.11653	7.6
208.12375	3.0
209.09663	3.2
209.13316	16.6
211.11182	7.7
211.14743	14.1
213.12764	10.0
213.16437	2.8
215.10739	4.5
215.14380	2.9
217.12349	4.3
219.17426	5.8
221.13278	9.9
223.11205	4.1
223.14925	11.8
225.12730	7.3
225.16446	8.1
227.14397	7.0
229.12297	5.0
229.15852	2.9
229.19414	2.6
231.13846	3.9
233.13274	5.4
233.15433	3.8
235.14854	5.9
237.12701	2.9
237.16370	8.0
239.14270	3.1
239.17908	5.7
241.12384	2.8
245.15433	5.8
247.14789	6.4
249.12686	3.9
251.14296	7.2
251.18069	4.5
253.15919	7.9
253.19659	4.9
255.21243	4.5
257.15259	3.4
257.19049	7.9
261.16272	3.0
263.14508	2.9
263.17947	4.7
265.15881	5.1
265.19611	8.1
269.15518	2.9
271.17120	5.6
275.20120	67.2
277.15942	4.0
277.19513	2.8
279.21124	4.3
291.17453	4.5
293.21185	7.2
305.19000	3.4
307.20554	8.8
323.20172	3.4
325.21542	10.4
335.23715	4.6
351.23282	3.9
353.24722	6.6
365.01987	2.9
393.27902	7.5
403.26511	4.5
417.27853	3.7
421.27664	6.1
427.26218	6.0
435.29276	4.6
445.27164	13.7
446.27557	4.8
453.30115	3.6
461.26636	5.1
463.28461	19.1
464.28174	3.6
481.29611	23.5
505.29532	5.9
523.30365	21.9
524.30530	5.3
541.35614	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28267	0.3
52.51740	0.3
56.02708	0.3
57.07062	0.4
67.05512	0.4
69.31322	2.0
79.05490	0.3
81.07063	0.3
91.05424	0.3
98.22604	0.7
102.09222	0.4
105.06963	0.3
137.22443	0.3
141.18633	0.3
141.78537	0.3
163.33466	0.3
165.79848	0.3
256.26361	0.5
272.17249	0.3
293.11734	0.7
309.80890	0.3
311.08838	0.4
320.10422	0.7
321.11301	0.5
335.12775	6.9
335.46622	0.4
336.13541	0.7
341.10818	0.3
347.98383	0.3
351.12314	0.8
365.13901	0.4
366.14624	6.2
367.15128	0.3
397.16403	2.9
467.32358	0.4
540.53461	1.0
540.61578	0.3
541.37097	100.0
542.37396	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	1.1
50.52715	0.6
50.99135	0.6
51.02380	1.8
53.03945	11.2
53.04327	0.6
55.01865	3.0
55.05512	27.0
56.05842	0.9
57.03442	3.0
57.07080	5.1
58.07379	0.7
59.05008	0.7
65.03938	5.3
67.05505	76.5
68.05843	1.3
69.03422	2.0
69.07069	16.5
70.06585	2.8
71.05004	3.6
71.08623	2.5
73.06568	1.1
77.03920	2.3
79.05493	100.0
80.05820	1.6
81.03423	8.3
81.07056	61.4
82.07398	1.2
83.04982	9.9
83.08612	8.9
85.06549	2.3
88.07652	4.4
89.12399	0.6
91.05480	69.2
92.05802	1.5
93.07043	84.1
94.07366	1.8
95.04975	19.3
95.08607	42.4
95.45142	0.6
96.08952	1.4
97.06534	4.9
97.10168	2.9
98.23186	3.6
99.08058	0.8
102.09190	2.0
103.05472	1.9
104.06223	0.7
105.04532	4.8
105.07031	48.1
106.07372	1.0
107.04948	5.8
107.08597	31.4
109.06509	4.8
109.10154	10.8
111.08076	2.4
115.05460	2.9
117.07013	13.6
119.08580	28.3
120.08899	0.7
121.06503	1.5
121.10143	17.2
123.08083	5.1
123.11705	2.4
125.09594	0.9
128.06219	3.7
129.07005	13.4
130.07771	1.5
131.08577	11.6
133.06488	0.8
133.10127	14.2
135.11684	8.1
137.09627	1.1
141.07034	0.9
141.09114	0.8
142.07802	1.0
143.08566	10.1
145.10120	13.4
147.08066	2.2
147.11688	29.3
149.13240	4.6
155.08524	4.0
157.10112	2.6
159.11700	5.4
161.09570	3.1
161.13257	13.5
163.11176	1.2
163.14876	1.6
169.10144	3.3
171.11693	20.7
172.12064	0.9
173.13257	3.8
175.14845	1.4
179.14323	1.0
181.10081	1.0
183.11723	2.2
185.13290	1.0
187.14836	1.4
189.12729	8.0
195.11745	0.9
197.13199	1.4
199.14801	1.8
201.16304	0.7
207.11804	1.4
207.13782	20.6
209.13316	0.9
211.14957	0.8
225.14787	0.9
229.28525	1.0
243.21068	1.5
256.26431	4.6
257.26767	2.3
261.22180	4.7
281.17386	1.4
283.26382	1.3
311.29486	2.7
312.29791	3.6
317.24960	1.0
426.33292	0.7
449.34286	1.9
484.45193	0.7
523.37683	1.6
540.53436	2.4
541.38892	54.6
541.53406	14.7
542.39197	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
53.97907	0.4
56.96555	0.8
70.02492	1.0
70.02826	0.7
70.26288	0.4
79.05476	0.6
83.04982	0.4
89.03938	0.5
89.53088	0.4
91.05482	1.2
93.07034	1.6
95.04984	0.8
95.49913	0.4
97.02859	0.6
98.23233	0.6
103.05469	7.7
107.04952	3.1
111.04440	0.7
111.47865	0.5
117.03382	1.0
119.04961	1.6
120.08101	100.0
121.06538	0.6
121.08434	2.4
131.04951	3.0
135.04367	1.1
136.06181	2.0
137.05971	1.9
137.49461	0.4
139.03882	0.8
145.02863	1.6
147.04398	2.5
149.05956	2.0
157.30431	0.5
160.07585	0.7
166.08632	47.8
167.07042	1.3
167.08983	1.3
177.05457	4.2
179.06998	2.4
189.05406	0.9
202.19862	0.4
213.11198	0.4
218.08099	1.0
221.03110	0.5
315.08823	0.5
333.09570	1.0
351.10593	0.5
380.13229	0.6
543.13281	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17847	2.1
69.42239	10.1
104.45449	1.7
105.03404	6.3
137.14076	1.9
189.24965	2.0
221.60728	1.8
225.09146	2.7
227.07028	1.8
235.07509	3.0
239.07091	3.1
239.10544	2.0
241.08661	3.9
243.06584	3.9
245.91678	1.9
249.09084	2.1
253.08650	6.0
254.05760	3.3
254.09325	3.6
255.06670	3.9
255.10175	2.4
256.07330	2.8
257.07877	3.8
265.08539	3.9
266.09570	3.3
267.06592	3.4
267.10214	3.7
268.11026	3.4
269.08112	7.1
269.11649	2.6
270.08777	5.3
271.06088	2.1
271.09579	3.6
272.06821	4.9
273.07483	2.1
278.09485	2.7
279.10202	2.7
280.10596	2.3
280.38950	2.0
281.08041	6.9
282.08963	2.5
283.09680	4.4
284.10388	4.4
285.07675	5.1
285.11078	4.1
286.08353	5.7
287.09076	13.7
295.09692	7.8
296.10474	10.1
297.07803	4.1
297.11249	6.7
298.08514	2.0
298.11914	3.7
299.09131	7.0
299.12878	3.7
300.09967	6.4
301.07370	2.3
301.10666	4.6
303.08646	3.5
307.09668	7.3
308.10452	2.3
309.07626	2.6
309.11221	3.6
310.12024	4.6
311.09201	2.6
311.12787	6.5
312.10184	3.9
313.10760	16.9
313.13934	3.1
314.07889	2.6
314.11481	5.8
315.08658	5.9
317.10175	4.8
327.12231	14.8
328.13040	21.2
329.10172	14.5
329.13861	14.5
330.10974	11.8
331.11646	4.6
339.12283	8.1
341.13849	5.9
344.12534	20.9
346.10400	3.6
353.13861	4.0
354.14468	4.3
359.14948	42.7
361.12866	14.8
371.14948	13.6
372.15649	5.5
385.16547	5.3
403.17529	100.0
404.17996	8.0
476.33377	1.9
501.37399	1.7
542.30927	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68102	1.5
63.83879	1.5
70.02086	1.7
92.78056	1.7
100.72768	1.5
105.03455	2.1
138.27443	1.9
142.28081	1.6
152.61075	1.6
198.06679	3.1
199.07436	2.1
208.08815	2.2
209.09563	2.4
211.07558	2.2
213.05592	1.8
214.06259	4.1
216.04805	1.8
222.06895	2.2
223.07579	2.6
225.09097	2.4
227.07045	2.7
233.09642	2.2
235.07590	6.7
236.08270	2.3
237.05505	2.2
237.09117	5.3
238.09805	2.1
239.06938	4.0
239.10693	2.5
240.07857	4.0
241.08615	4.0
242.05702	3.8
243.06686	1.9
250.09955	7.2
251.07079	2.3
252.07823	7.1
253.04785	2.7
253.08667	3.5
254.05681	2.3
254.09450	3.0
255.10040	1.8
256.07333	3.9
257.08115	15.3
261.09113	4.0
263.07034	4.6
263.10806	2.2
265.05096	2.1
265.08606	7.6
265.12079	3.2
266.09323	3.2
267.06573	4.0
267.10156	10.6
268.07239	3.6
269.08112	5.1
269.11737	2.0
270.05109	3.8
270.08841	2.4
271.05984	1.9
271.09604	3.1
272.06848	2.6
277.08646	5.7
278.09390	13.2
279.10150	7.6
280.07355	6.4
281.08017	7.8
282.08841	5.3
283.06076	2.0
285.07571	32.9
285.10629	1.8
286.08273	4.3
287.09189	6.6
291.06534	2.3
293.11798	12.7
294.12250	2.2
295.09610	17.4
296.10416	3.8
297.07684	7.9
297.11267	11.0
298.11688	2.1
299.09186	3.0
299.12604	2.6
300.09918	42.9
301.10599	6.0
305.08087	3.4
306.08798	5.7
307.09583	8.4
310.11804	2.9
311.09125	3.4
311.12473	2.4
312.09833	3.2
313.07211	12.7
313.10492	3.3
314.11389	3.3
315.08722	2.9
315.12201	32.8
316.12546	3.1
317.10291	2.8
321.11230	24.4
321.20135	1.8
322.11719	4.2
323.09052	13.5
325.14346	3.8
327.12244	10.9
328.09360	11.5
328.12839	3.1
329.10138	3.3
329.13806	8.3
330.10822	2.3
338.11499	6.7
339.12256	14.0
343.11740	100.0
344.12177	8.0
345.13101	2.5
353.13846	41.1
354.14615	4.2
355.11688	2.2
357.16977	3.7
359.14871	16.1
361.12723	3.5
370.14465	2.5
371.14896	4.3
385.16422	49.1
386.16730	3.1
397.52896	1.8
403.17505	79.1
404.17676	6.2
416.61514	2.2
489.63953	2.0
510.57437	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55716	0.8
55.05503	1.8
57.03436	1.2
59.80140	0.9
65.84669	0.9
67.05503	14.2
69.03423	5.3
69.22633	7.3
71.04983	1.2
74.11087	1.1
79.05473	1.2
81.03427	2.5
81.07061	7.8
83.04962	0.9
85.02901	5.6
91.05468	2.8
93.07040	3.2
95.04954	2.3
95.08588	6.1
97.02915	4.4
98.22672	1.8
100.50066	0.9
103.03372	1.1
107.08587	2.9
109.02878	2.0
109.06511	2.2
109.10157	35.1
109.10914	1.7
110.10484	1.2
111.04405	1.0
119.08584	3.3
125.05972	2.2
126.67696	1.0
127.03910	4.2
135.08057	4.2
137.09613	97.7
138.09944	3.9
145.04944	1.7
155.10667	7.7
163.07544	2.1
164.07852	1.1
165.09119	100.0
166.09488	3.0
181.08644	1.4
183.10187	16.4
187.88246	0.8
197.66042	0.8
201.11224	25.1
206.31723	1.1
218.53905	0.9
267.12360	2.3
291.12204	1.5
309.13297	5.7
312.71127	0.8
316.77490	0.9
319.81671	1.1
327.14365	11.4
328.14996	1.2
345.15457	19.2
346.15607	1.7
506.59604	0.9
542.22528	3.3
543.24127	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48618	0.6
69.03461	0.5
71.30476	0.6
71.30849	0.7
79.05473	0.7
81.03408	0.6
85.02891	1.0
91.05484	1.0
93.07071	0.5
94.50626	0.5
103.05466	6.4
115.05470	1.1
117.07012	1.8
119.04928	0.6
122.03631	1.5
123.08077	1.1
131.03984	1.1
131.04927	14.6
135.08072	0.7
137.05980	17.7
143.08540	1.5
145.06441	0.9
151.03917	0.6
151.07552	4.9
161.05948	1.3
162.06755	2.3
163.07541	37.5
164.07861	1.5
167.36490	0.5
171.08067	0.7
175.07567	2.7
177.09108	100.0
178.09425	3.8
195.10117	3.3
200.63361	0.6
203.10719	0.9
219.10223	0.6
221.11720	25.2
222.12099	1.0
238.91916	0.6
345.17032	0.9
543.23480	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
63.00512	2.5
63.02504	2.1
64.09309	2.4
69.03400	3.2
71.15648	2.9
78.20305	2.7
79.05482	3.8
79.30591	2.1
81.07069	3.1
85.02895	3.5
91.05440	2.3
103.05473	6.0
105.07024	5.0
106.93362	2.2
107.04990	3.0
122.03642	5.7
128.58813	2.9
129.67323	2.5
131.04945	7.5
133.06516	13.6
135.08096	3.0
137.05977	100.0
138.06335	3.6
143.08521	2.3
145.06538	3.6
149.06094	2.2
151.07544	9.0
161.06032	4.9
163.07524	25.2
165.12732	3.4
167.06996	10.7
171.08044	2.4
175.07561	3.5
177.09180	6.1
178.85120	2.0
181.08556	3.0
189.09042	3.4
209.07904	2.5
295.13309	8.2
327.15826	11.0
542.23096	17.2
543.22253	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	9.0
58.35861	3.5
63.50487	3.6
65.89790	3.5
71.04973	7.7
75.04487	17.5
82.84264	3.6
85.02904	17.2
91.05496	11.6
95.04955	5.6
98.76328	4.2
103.05486	34.4
107.04967	15.5
119.04966	9.7
121.06502	6.8
122.03656	6.1
123.60401	4.2
131.04939	44.7
133.06436	5.7
135.08121	7.9
137.05984	97.0
147.04440	6.0
151.07556	24.7
161.05998	17.0
161.09734	4.6
163.07555	100.0
175.07608	14.2
177.09114	79.2
179.07011	5.6
181.08621	8.5
184.60490	4.1
189.09138	16.1
197.08081	5.6
202.93394	4.2
207.08490	6.3
207.10123	24.8
221.11710	22.3
287.12903	10.4
299.75201	4.2
310.25589	4.7
311.12854	15.3
313.14374	7.5
331.15408	19.3
343.15317	7.6
483.19846	6.1
542.22778	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83061	9.5
54.17562	9.6
67.05495	33.6
69.00285	100.0
69.03429	11.4
69.07069	11.2
72.37009	9.0
79.05494	28.2
81.03403	16.4
81.07042	26.0
83.05005	21.9
85.02883	12.3
91.05476	37.9
93.07042	29.9
95.08607	21.7
98.22610	13.3
105.07008	48.4
107.08546	19.9
111.04498	12.9
111.08086	9.9
117.07032	13.8
119.08568	31.3
121.06501	23.9
121.10163	11.5
121.29672	9.4
128.06168	8.9
129.07028	17.1
131.08562	26.5
133.06465	10.7
133.10176	11.1
135.08084	18.8
137.05960	13.5
137.33051	10.3
143.08510	17.1
145.10158	34.6
147.08031	16.5
149.09572	16.8
152.26610	9.8
155.08572	13.3
156.09309	10.5
157.10208	19.3
159.08086	22.0
161.09712	20.5
169.10063	19.6
171.08031	45.5
171.11754	12.9
173.09589	15.8
175.07539	16.0
175.11238	11.9
183.07976	11.3
183.11641	21.5
187.07529	11.9
193.10193	16.4
195.11755	16.3
211.11223	14.4
222.33125	9.2
225.12741	10.5
231.13847	38.6
237.12791	11.4
242.12991	10.9
349.75488	10.6
443.22577	12.0
461.23041	25.7
489.22498	22.5
507.23358	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01886	4.3
55.05499	2.9
67.05489	6.8
69.03441	6.5
79.05499	9.8
81.03416	8.5
81.07055	6.0
83.04985	4.3
85.02921	2.6
91.05489	17.6
93.07072	12.5
95.04964	12.9
95.08598	8.5
97.02902	2.8
103.05482	4.5
105.07038	18.6
107.04968	12.7
107.08592	9.7
109.06521	5.6
111.04452	3.8
115.05498	3.1
117.07036	9.8
119.04949	3.0
119.08575	13.4
121.06509	9.5
121.10118	5.3
123.08064	9.8
128.06221	7.0
129.07028	6.5
130.07809	2.7
131.08540	12.9
133.06505	6.5
133.10126	9.9
135.08080	7.2
137.09673	4.6
140.59132	2.3
141.06960	3.2
142.07803	8.6
143.08600	14.5
145.06508	5.2
145.10101	12.6
147.08054	10.1
149.09619	3.3
153.06967	3.0
155.08551	9.4
157.10136	16.4
159.08052	13.1
159.11693	4.6
161.05986	3.3
161.09618	17.3
163.07608	6.4
163.11292	3.1
165.07018	4.0
167.08580	7.0
169.10152	3.1
170.07385	2.8
171.08084	12.0
171.11728	4.2
173.09634	12.5
175.11220	7.1
177.09071	2.2
179.08554	3.4
181.10146	5.0
183.08099	4.0
183.11697	4.4
185.09618	8.4
186.06555	6.6
187.07608	11.2
187.11238	6.0
189.09167	4.8
193.10173	4.3
194.10818	3.6
195.07980	5.4
195.11710	4.8
196.08752	3.1
197.09604	5.1
199.07581	4.8
199.11157	7.2
201.09149	3.1
203.10674	7.3
205.08553	3.6
205.12257	3.3
207.11760	4.8
209.09610	5.0
209.13217	3.8
211.11195	14.9
213.09106	7.2
213.12733	8.4
215.10574	2.5
215.14355	4.8
218.10855	3.2
221.09761	3.8
221.13307	3.4
222.10242	3.2
223.11186	13.5
224.12044	2.8
225.09212	3.4
225.12711	12.0
226.09897	3.3
227.10710	7.5
231.09964	3.3
232.12437	3.2
234.10347	3.6
235.11206	5.3
237.12755	5.6
238.09837	2.9
239.10686	8.7
239.14305	2.8
241.12196	14.5
243.13858	4.8
247.11122	4.9
248.11972	3.8
249.12851	2.7
251.10698	4.5
253.12247	9.8
261.12784	2.4
263.14383	3.4
267.10059	3.9
269.91028	2.9
273.12796	2.9
275.14316	4.7
278.12946	2.3
291.13632	3.1
303.13895	2.8
309.14914	4.4
349.15604	2.4
377.20993	2.8
383.20145	4.5
392.17722	3.0
397.21744	4.0
407.20035	7.3
409.21548	6.4
415.22473	4.2
425.21167	24.3
427.22894	14.0
433.23776	3.1
443.22189	17.2
445.23813	21.9
446.23688	2.7
453.20242	3.4
461.23178	61.5
462.23364	6.0
463.24881	19.6
465.18857	11.7
471.21661	32.8
472.22037	3.9
475.24738	3.5
479.23898	5.5
489.22769	100.0
490.22910	10.2
507.23871	22.4
525.24811	4.2
542.34888	6.2
543.21973	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.7
55.05519	2.9
57.03424	7.2
61.02916	2.8
67.05500	12.7
69.03415	10.9
69.07072	7.6
70.82068	4.4
71.04983	4.9
79.05474	4.7
81.03385	3.2
81.07047	22.1
83.08619	2.4
85.02910	20.8
85.06533	7.3
91.05442	2.7
93.06654	1.5
93.07058	17.1
94.63341	2.0
95.08605	25.6
97.02895	10.0
97.06534	2.0
99.04443	3.6
105.07019	17.0
107.08579	20.3
108.08152	2.3
108.57463	1.9
109.02842	1.7
109.06523	3.5
109.10148	34.0
110.45850	1.8
111.08099	2.2
113.06005	6.7
119.08578	8.8
120.08097	3.4
121.10132	3.5
123.08072	4.6
123.11697	5.2
125.09615	15.9
127.03896	8.8
127.07527	7.1
131.04942	4.3
137.05974	7.9
137.09613	2.2
137.13248	19.8
138.09132	6.0
145.04979	4.8
147.11682	28.6
158.99663	2.1
159.42950	2.0
163.07526	14.9
165.12755	65.9
177.09120	30.3
183.13797	100.0
184.14214	3.0
201.14845	6.3
204.32208	2.1
221.11749	10.9
244.22417	1.9
327.17987	22.3
345.19037	8.7
377.01950	2.0
542.22833	19.1
543.23828	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.2
55.01869	1.1
55.05511	4.0
60.72734	0.8
66.99332	1.0
67.05505	8.6
69.07065	2.3
77.33275	1.0
79.05492	7.3
81.03429	2.8
81.07057	10.5
83.05005	3.4
91.05490	8.3
93.07030	10.8
94.27990	0.9
95.04965	3.0
95.08602	14.4
97.06557	1.6
105.07034	9.4
107.04955	1.1
107.08599	7.3
107.68290	1.0
109.06544	3.4
109.10179	2.9
111.04438	3.4
111.08086	2.0
117.07043	2.9
119.08585	8.1
120.29922	1.0
121.06476	2.6
121.10152	2.8
123.08086	3.2
128.06186	2.4
129.07022	3.9
131.08566	6.8
133.10143	6.0
133.32849	1.1
135.08064	3.4
135.11670	1.6
137.05952	4.8
139.07582	2.1
141.07016	3.3
142.07765	3.3
143.08569	6.5
144.09311	1.2
145.06491	1.2
145.10138	5.8
146.07234	1.1
147.08076	1.6
147.11658	3.2
153.06979	1.4
155.08542	10.2
156.09354	1.9
157.06483	1.1
157.10112	7.3
159.08105	2.0
159.11722	4.4
161.09639	2.4
162.78549	1.0
165.07036	3.6
167.08563	4.3
168.09311	1.2
169.10144	10.0
171.08092	1.5
171.11653	5.9
173.09663	1.5
173.13213	1.1
175.11295	2.2
177.90712	1.1
178.07875	1.9
179.08534	5.1
180.09337	1.1
181.10104	6.8
182.07338	1.3
183.11725	5.5
185.09630	2.2
185.13216	3.0
187.11217	1.9
189.12788	2.2
191.08633	2.2
192.09364	3.3
193.10136	7.0
194.10861	1.9
195.08067	1.6
195.11705	6.8
197.09616	6.0
197.13275	3.8
199.11188	1.6
199.14851	1.4
203.08598	1.7
204.09225	1.9
205.10118	6.0
206.10876	4.7
207.11713	15.2
208.12292	1.3
209.09659	2.2
209.13232	5.0
211.11230	2.1
211.14803	1.5
215.10648	1.1
217.10107	3.3
218.10896	3.8
219.08261	1.3
219.11684	9.0
220.12520	3.2
221.13237	13.7
222.13922	2.1
223.11218	2.7
223.14839	3.6
225.08997	1.3
225.12767	1.2
227.10660	1.2
230.10873	1.9
231.11699	3.4
232.08844	1.3
232.12489	3.8
233.09647	2.4
233.13245	7.4
234.10396	1.5
234.13913	1.5
235.07585	1.2
235.11098	2.5
235.14890	4.1
237.12749	4.3
237.16391	2.4
244.12436	1.9
245.09633	1.3
245.13170	6.1
246.13980	2.3
247.11023	2.1
247.14799	6.4
248.12016	1.7
249.12785	7.4
249.16440	1.9
251.14198	1.7
255.13783	2.2
257.13138	1.3
259.11093	1.1
259.14774	2.8
260.11905	1.4
260.15564	3.6
261.12906	5.4
261.16391	9.0
262.16989	1.4
263.11264	1.1
263.14276	3.4
263.17960	2.2
265.12076	2.5
265.16037	1.3
267.13773	6.1
269.13278	1.1
271.14774	1.8
273.12683	2.0
273.16290	3.0
275.14267	3.3
275.17834	5.1
275.20349	1.5
277.16019	1.8
277.19525	2.7
279.13788	1.9
279.17392	1.2
285.16330	2.0
287.14288	1.2
287.18079	1.0
288.15527	1.4
289.15814	2.4
293.15561	1.1
293.19003	1.4
301.15878	1.7
301.19394	1.3
303.17404	9.6
304.18005	1.5
305.18811	2.0
307.16922	3.3
315.17395	1.2
321.18344	5.7
322.18866	1.2
323.20111	1.4
329.18973	2.7
347.19907	1.4
397.25574	1.7
401.24734	18.6
402.25015	1.8
403.22781	1.6
415.26276	13.9
417.27966	21.6
418.28244	2.5
425.24615	4.1
433.27417	2.3
443.25809	75.4
444.26047	5.8
461.26862	100.0
462.27167	10.8
479.27853	7.9
525.35333	1.5
542.35229	4.3
543.36511	3.6
551.01465	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.5
65.54072	1.5
67.05499	6.3
67.45390	1.3
69.03410	1.5
69.07081	2.8
75.38100	1.4
79.05499	2.0
81.07048	3.7
83.04982	13.3
85.06557	2.1
91.05489	7.4
93.07050	10.5
95.04989	2.1
95.08596	12.9
98.22514	2.1
105.07014	6.4
107.08601	4.5
109.06496	1.5
111.04436	9.1
111.08089	5.9
116.97884	1.3
117.07024	3.0
119.08563	12.6
121.10132	2.6
123.08054	4.4
128.06253	2.3
129.07014	5.5
131.08545	7.2
133.10126	8.1
135.08061	2.2
135.11697	1.7
139.07561	4.3
141.06969	1.9
142.07759	5.5
143.08543	7.8
145.10130	6.2
147.08083	1.5
147.11655	3.6
149.09659	1.7
149.55006	1.3
155.08562	9.0
156.09363	3.5
157.10132	19.5
159.08052	2.2
159.11716	3.7
161.09587	2.8
165.07047	3.6
167.08539	2.5
168.09398	1.8
169.10138	9.2
171.11668	8.7
173.09676	2.6
173.13214	2.3
175.11116	2.2
178.07607	1.3
179.07121	1.5
179.08597	4.6
181.10106	5.6
182.10910	1.8
182.24937	1.3
183.11716	5.4
185.13242	4.1
187.11214	3.5
193.10081	6.8
194.10915	3.2
194.87532	1.2
195.11726	8.5
196.12427	2.6
197.09581	1.9
197.11530	1.2
197.13219	6.6
199.11182	5.6
200.08089	1.4
204.09308	1.5
205.10156	5.9
206.10971	3.3
207.11682	10.2
209.09776	1.8
209.13239	14.7
210.13600	1.9
211.11118	1.4
211.14946	2.8
213.08958	1.7
217.10081	3.3
217.12218	9.8
218.10855	2.0
219.11684	8.8
220.12410	3.0
221.13295	8.1
223.11267	1.5
223.14836	4.6
225.12793	3.3
227.10762	1.5
229.09901	1.5
229.12157	1.4
230.10905	1.8
231.11690	4.9
232.12506	3.0
233.13240	8.0
234.14046	2.9
235.14783	5.6
237.12761	4.1
237.16458	2.1
239.14206	2.8
245.13202	5.4
245.15488	2.4
246.14009	3.9
247.14818	7.1
248.15555	1.9
249.12843	2.8
249.16389	4.0
251.14297	1.5
251.17932	2.5
253.12463	1.4
255.13792	1.9
257.13095	1.7
259.14862	5.0
260.15533	3.5
261.12888	1.6
261.16376	8.7
262.17157	3.0
263.14426	1.7
263.17938	3.8
265.12299	2.2
265.15823	3.2
267.13745	2.7
273.16348	3.8
274.16986	1.5
275.14319	1.7
275.17892	3.6
277.15854	2.2
279.13748	2.0
279.17294	2.0
281.15329	2.5
287.14575	2.0
287.17920	5.3
288.18384	2.0
289.15631	2.0
289.19574	3.7
291.13934	1.9
293.18845	2.4
295.17023	2.7
300.15082	1.4
301.15945	2.3
301.19519	4.0
302.20117	1.8
303.17380	2.9
303.20804	3.2
305.15479	2.8
305.19016	1.4
307.16925	3.3
319.17041	1.5
321.18442	4.1
323.20093	1.9
329.18951	3.5
333.94489	1.3
336.20154	1.4
339.19418	1.8
343.20605	1.5
347.20038	4.6
349.21631	1.9
351.23123	1.3
361.21594	2.0
362.22281	4.1
383.23703	2.3
401.24756	73.9
402.25323	7.3
402.29639	1.4
405.20538	2.6
407.23886	1.3
415.26437	6.3
417.27994	12.3
418.28079	2.1
419.25833	24.2
421.23520	1.5
425.24637	5.9
435.29413	1.7
443.25778	32.7
444.26160	3.9
461.26855	100.0
462.27017	9.6
479.27841	13.4
542.34692	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03652	3.0
53.03942	4.1
55.01871	5.4
55.05502	15.8
61.66661	2.9
67.05222	3.0
67.05505	31.6
69.03426	4.5
69.07069	11.8
69.18493	20.9
79.05495	21.9
79.11587	2.6
81.03419	19.1
81.07058	27.6
83.04980	14.2
83.08610	7.8
85.06532	4.5
91.05485	31.5
93.07040	25.4
95.04945	10.0
95.08606	31.5
97.06536	6.7
97.10137	4.2
105.07024	30.3
106.07383	4.7
106.74443	2.9
107.04980	4.6
107.08595	22.2
109.06540	8.0
109.10119	9.3
111.04417	5.3
111.08080	7.9
117.07001	12.6
118.09644	2.9
119.08591	24.0
121.06503	8.4
121.10146	8.6
123.08031	6.7
125.09679	3.2
129.07007	10.5
130.07785	3.0
131.08562	19.4
132.08925	3.7
133.06496	5.4
133.10138	17.9
134.58621	3.2
135.08038	9.3
135.11699	6.5
137.05977	5.3
139.07521	3.8
141.07030	6.9
142.07764	6.2
143.08588	14.3
145.10225	14.1
145.11220	3.1
147.08066	4.9
147.11659	10.7
149.09586	4.3
149.13213	3.4
155.08511	18.6
156.09254	2.9
157.10118	18.9
159.08014	10.0
159.11726	11.6
161.09651	5.7
161.13193	3.0
163.11230	4.8
165.06996	4.1
167.08543	7.5
169.10150	13.8
171.08055	4.8
171.11687	12.8
173.09674	5.1
173.13210	4.5
173.49086	2.9
175.14870	3.0
179.08565	8.4
181.10077	8.8
183.08127	3.7
183.11696	9.8
185.09706	5.6
185.13326	3.2
187.11172	5.0
191.08519	2.9
192.09447	3.6
193.10162	14.0
194.10825	4.8
195.11761	9.6
196.12337	3.8
197.09642	8.5
197.13312	6.5
199.11183	3.1
205.10175	3.4
206.10883	7.6
207.11688	18.8
208.12280	3.5
209.13255	10.9
211.14543	4.7
213.12669	4.2
218.10843	5.2
219.11673	9.9
219.13771	2.8
220.12332	3.4
221.13284	14.0
222.10558	3.0
222.13835	5.3
223.11229	6.3
223.14871	5.3
225.12769	4.7
231.11829	3.7
232.12314	5.9
233.09712	4.2
233.13252	11.4
233.43733	3.0
234.13974	3.4
235.11247	5.9
235.14815	5.4
237.12770	5.4
239.14139	3.4
239.17987	3.7
245.13309	4.0
246.14008	4.9
247.11005	6.6
247.14873	10.5
249.12782	6.4
255.13840	3.5
261.12820	6.4
261.16379	10.8
262.16983	3.8
263.14200	6.3
265.12247	4.3
267.13669	5.4
275.14337	4.3
275.17706	5.6
275.20270	5.8
276.20645	6.6
299.33496	3.0
303.17575	15.1
321.18408	6.2
401.24750	22.3
415.26135	17.1
417.27951	19.4
424.19308	4.4
425.24789	6.5
443.25815	79.7
444.26279	4.6
461.26923	100.0
462.27017	9.7
464.21591	4.6
479.27695	9.2
524.35120	3.5
542.29004	2.7
542.35864	27.8
542.43408	5.7
543.37134	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.05517	7.0
57.03470	1.2
57.07063	1.2
67.05508	11.8
69.07066	5.2
71.04969	1.4
71.30746	1.9
79.05509	6.1
79.94380	1.0
81.03444	1.8
81.07063	6.9
82.89717	1.1
83.04989	12.3
83.08606	1.3
85.06567	2.8
91.05491	9.2
93.07039	11.8
95.04974	3.7
95.08607	15.8
97.06552	2.2
103.05455	1.1
105.04526	1.1
105.07030	11.4
107.08603	7.0
109.06548	2.1
109.10192	3.2
109.89085	1.1
111.04452	7.2
111.08094	5.6
113.05996	1.1
115.05478	1.5
117.07014	4.9
119.05010	1.6
119.08588	14.8
119.76806	1.3
121.06510	3.4
121.10170	3.7
123.08080	4.7
128.06230	2.6
129.07045	6.1
131.08574	8.7
133.06538	2.3
133.10136	9.1
135.08073	3.4
135.11728	1.8
137.05971	1.2
139.07565	3.3
141.07027	2.7
142.07780	5.1
143.08540	9.0
145.06528	2.0
145.10158	7.8
147.08087	3.0
147.11711	4.7
149.09631	2.7
155.08574	9.0
156.09384	4.1
157.06532	1.6
157.10123	23.5
159.08095	1.6
159.11642	5.5
161.09682	3.1
165.06993	2.9
167.08569	3.2
168.09351	1.3
169.10159	6.8
171.07950	1.8
171.11719	10.8
173.09653	4.0
173.13287	3.7
175.11203	2.8
178.07762	1.4
179.08585	4.9
180.09378	2.3
181.10127	5.6
183.08041	1.6
183.11707	6.2
185.09552	3.0
185.13219	2.4
187.11180	2.8
191.08583	2.0
191.10791	1.5
192.09349	2.1
193.02753	1.3
193.10138	7.3
194.10931	2.3
195.11685	8.2
196.12486	2.2
197.09631	2.6
197.13318	5.0
199.11192	8.0
199.14857	2.1
204.09445	1.7
205.10188	3.7
206.10930	2.0
207.11679	8.3
208.12424	1.8
209.13263	9.4
210.13826	1.2
211.11208	1.4
211.14838	2.4
213.12932	1.9
217.10182	2.5
217.12289	12.3
218.10854	2.4
219.11649	8.8
219.13470	1.1
220.12518	3.9
221.13203	7.3
223.11165	2.0
223.14807	4.4
225.12729	2.8
225.16447	1.3
227.10672	1.2
231.11700	4.1
232.12515	3.8
233.13263	6.2
234.13977	2.6
235.14861	5.2
237.12778	2.6
239.14290	3.0
241.12169	2.0
243.11723	2.0
243.13985	1.8
245.13268	4.4
245.15472	3.0
246.14142	4.0
247.14861	8.9
249.12866	3.5
249.16531	2.2
251.14221	2.2
255.13835	1.6
257.13113	2.1
258.14053	2.0
259.14850	4.0
260.15387	2.0
261.12878	2.4
261.16403	9.1
262.17242	1.3
263.11182	1.1
263.14386	2.1
263.17987	3.5
265.12347	2.4
265.15750	1.2
267.13821	2.5
270.14084	1.2
271.14963	1.5
272.15372	2.3
273.16351	3.9
275.14386	1.6
275.17972	3.9
276.20380	1.5
277.15869	3.0
279.13834	1.2
281.15225	1.4
285.16003	1.3
287.14700	1.3
287.18066	3.5
289.15854	2.0
289.19540	2.1
293.15421	1.5
295.16986	3.3
301.19406	1.4
303.17590	3.1
303.21027	2.6
305.15509	1.4
307.17123	1.7
315.17331	1.5
321.18503	3.6
327.17346	1.8
329.19101	2.6
347.20181	1.8
351.19308	1.2
361.21875	1.8
387.18985	1.3
397.25162	2.1
401.24771	65.1
402.25244	4.4
405.20856	2.1
415.26575	6.1
417.28030	11.7
421.23669	2.0
425.24683	3.4
433.27472	2.5
435.25476	1.6
443.25836	29.8
443.31699	2.3
444.26178	2.8
461.26874	100.0
462.27155	8.3
479.28018	13.0
480.28180	1.9
542.35529	7.2
543.36774	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.05517	7.0
57.03470	1.2
57.07063	1.2
67.05508	11.8
69.07066	5.2
71.04969	1.4
71.30746	1.9
79.05509	6.1
79.94380	1.0
81.03444	1.8
81.07063	6.9
82.89717	1.1
83.04989	12.3
83.08606	1.3
85.06567	2.8
91.05491	9.2
93.07039	11.8
95.04974	3.7
95.08607	15.8
97.06552	2.2
103.05455	1.1
105.04526	1.1
105.07030	11.4
107.08603	7.0
109.06548	2.1
109.10192	3.2
109.89085	1.1
111.04452	7.2
111.08094	5.6
113.05996	1.1
115.05478	1.5
117.07014	4.9
119.05010	1.6
119.08588	14.8
119.76806	1.3
121.06510	3.4
121.10170	3.7
123.08080	4.7
128.06230	2.6
129.07045	6.1
131.08574	8.7
133.06538	2.3
133.10136	9.1
135.08073	3.4
135.11728	1.8
137.05971	1.2
139.07565	3.3
141.07027	2.7
142.07780	5.1
143.08540	9.0
145.06528	2.0
145.10158	7.8
147.08087	3.0
147.11711	4.7
149.09631	2.7
155.08574	9.0
156.09384	4.1
157.06532	1.6
157.10123	23.5
159.08095	1.6
159.11642	5.5
161.09682	3.1
165.06993	2.9
167.08569	3.2
168.09351	1.3
169.10159	6.8
171.07950	1.8
171.11719	10.8
173.09653	4.0
173.13287	3.7
175.11203	2.8
178.07762	1.4
179.08585	4.9
180.09378	2.3
181.10127	5.6
183.08041	1.6
183.11707	6.2
185.09552	3.0
185.13219	2.4
187.11180	2.8
191.08583	2.0
191.10791	1.5
192.09349	2.1
193.02753	1.3
193.10138	7.3
194.10931	2.3
195.11685	8.2
196.12486	2.2
197.09631	2.6
197.13318	5.0
199.11192	8.0
199.14857	2.1
204.09445	1.7
205.10188	3.7
206.10930	2.0
207.11679	8.3
208.12424	1.8
209.13263	9.4
210.13826	1.2
211.11208	1.4
211.14838	2.4
213.12932	1.9
217.10182	2.5
217.12289	12.3
218.10854	2.4
219.11649	8.8
219.13470	1.1
220.12518	3.9
221.13203	7.3
223.11165	2.0
223.14807	4.4
225.12729	2.8
225.16447	1.3
227.10672	1.2
231.11700	4.1
232.12515	3.8
233.13263	6.2
234.13977	2.6
235.14861	5.2
237.12778	2.6
239.14290	3.0
241.12169	2.0
243.11723	2.0
243.13985	1.8
245.13268	4.4
245.15472	3.0
246.14142	4.0
247.14861	8.9
249.12866	3.5
249.16531	2.2
251.14221	2.2
255.13835	1.6
257.13113	2.1
258.14053	2.0
259.14850	4.0
260.15387	2.0
261.12878	2.4
261.16403	9.1
262.17242	1.3
263.11182	1.1
263.14386	2.1
263.17987	3.5
265.12347	2.4
265.15750	1.2
267.13821	2.5
270.14084	1.2
271.14963	1.5
272.15372	2.3
273.16351	3.9
275.14386	1.6
275.17972	3.9
276.20380	1.5
277.15869	3.0
279.13834	1.2
281.15225	1.4
285.16003	1.3
287.14700	1.3
287.18066	3.5
289.15854	2.0
289.19540	2.1
293.15421	1.5
295.16986	3.3
301.19406	1.4
303.17590	3.1
303.21027	2.6
305.15509	1.4
307.17123	1.7
315.17331	1.5
321.18503	3.6
327.17346	1.8
329.19101	2.6
347.20181	1.8
351.19308	1.2
361.21875	1.8
387.18985	1.3
397.25162	2.1
401.24771	65.1
402.25244	4.4
405.20856	2.1
415.26575	6.1
417.28030	11.7
421.23669	2.0
425.24683	3.4
433.27472	2.5
435.25476	1.6
443.25836	29.8
443.31699	2.3
444.26178	2.8
461.26874	100.0
462.27155	8.3
479.28018	13.0
480.28180	1.9
542.35529	7.2
543.36774	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.4
56.40408	0.6
57.07076	37.2
59.04973	0.7
66.21925	0.6
67.05487	0.8
68.52225	0.6
69.07056	1.3
69.11230	1.3
69.11635	4.3
71.08634	22.9
73.02909	0.6
73.06561	7.5
81.07061	0.8
81.35571	0.5
83.08625	2.4
85.10180	20.4
87.04470	6.2
88.86975	0.7
89.06031	100.0
90.06374	0.9
91.05492	0.8
91.07583	1.2
92.79071	0.7
93.07056	0.8
95.08616	0.8
97.10172	2.5
99.11729	3.6
105.07048	1.2
107.07080	3.1
113.13300	2.1
117.09131	5.0
130.08640	1.2
131.07091	1.3
133.08606	47.1
140.20193	0.6
149.02261	0.6
155.17912	3.3
161.11739	0.8
177.11220	16.8
199.20541	3.2
221.13809	2.3
239.14769	0.9
243.23250	5.7
283.17462	0.9
287.25751	4.4
327.20224	1.1
371.22659	3.8
409.55591	0.6
421.13040	0.6
525.40002	4.0
542.30963	0.8
542.53809	0.7
543.17963	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47898	0.4
55.27089	0.5
57.21513	0.5
69.50571	0.9
69.50971	1.6
71.26726	0.4
95.48524	0.4
100.74719	0.5
108.45660	0.5
112.89645	0.6
174.48724	0.5
300.49722	0.5
350.97238	0.9
365.49503	0.6
381.07971	18.2
382.08505	1.4
464.99765	0.5
497.52344	0.6
532.68250	0.5
543.13251	100.0
544.13562	6.4
567.83942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
62.32659	0.6
63.50311	0.6
69.51863	2.6
297.03195	1.1
337.09818	1.3
351.11472	1.2
378.21902	0.8
381.07965	21.7
455.88992	0.6
513.95160	0.7
543.13263	100.0
544.13422	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.3
55.01860	0.6
55.05507	2.0
57.07068	0.4
66.29492	0.3
67.05499	4.6
69.05449	3.3
69.07076	1.8
79.05494	5.1
81.07057	4.5
83.04970	0.5
83.08599	1.1
86.50871	0.4
88.53717	0.4
91.05476	2.7
91.91866	0.4
93.07043	5.8
95.04939	1.4
95.08611	4.8
101.84128	0.3
105.04491	0.4
105.07011	1.9
107.04963	0.8
107.08591	3.7
109.06520	0.5
109.10128	1.4
109.10907	0.3
117.07018	2.0
119.08582	1.8
121.06498	0.6
121.10145	2.2
121.25220	0.4
128.78996	0.4
129.06947	0.5
131.08531	0.9
133.10063	0.7
135.11691	4.3
141.06975	0.6
143.08513	0.6
145.10133	2.7
147.11624	0.5
149.13112	0.4
155.08554	0.4
156.41312	0.3
157.06511	0.5
159.08026	0.5
163.11189	4.6
165.05464	1.3
165.07022	1.3
167.07159	0.4
167.08557	0.5
169.06514	0.8
169.10104	0.5
173.09657	0.4
179.08557	1.1
181.06447	0.6
181.12282	0.7
182.07239	0.6
183.04306	0.8
183.08023	1.4
185.05972	0.5
192.09308	0.6
193.06480	1.0
195.08035	1.0
196.05168	0.7
197.06000	2.0
197.09621	1.4
198.06734	3.1
199.07257	0.4
205.06572	0.4
205.10075	0.7
207.08035	1.3
207.11652	0.6
209.09615	0.8
210.06770	2.9
211.03946	1.3
211.07549	3.4
213.05437	2.0
217.10089	0.6
219.08092	1.0
220.08913	2.5
221.06041	0.4
221.09544	0.9
222.10281	0.5
223.07494	0.9
224.04665	0.9
224.08334	0.6
225.05562	2.3
225.09102	3.8
226.06216	2.6
227.06984	1.2
227.10657	0.7
227.12772	8.5
231.08008	0.9
232.08888	0.5
233.09679	0.9
234.10257	0.6
235.07593	0.9
235.11166	3.3
236.08240	0.6
237.05476	0.8
237.09140	1.3
237.12589	0.4
238.06267	1.5
239.07040	2.5
240.04114	1.1
240.07756	1.5
241.04965	4.9
241.08630	1.0
242.05663	0.9
245.09668	0.6
247.07497	1.1
248.08331	3.9
249.09081	2.7
250.06078	0.6
250.09851	1.3
251.03409	1.3
251.06924	1.1
251.10603	0.8
252.07793	1.4
253.04936	1.1
253.08588	2.8
254.05716	2.1
254.09254	0.6
255.06485	7.1
255.10133	1.4
256.07275	8.6
257.07755	0.7
261.09009	0.6
261.22070	0.8
262.09924	1.1
263.07132	1.4
263.10675	6.7
264.07968	0.8
264.11279	1.4
265.05066	0.8
265.08591	3.1
265.12128	0.9
266.05942	0.6
266.09293	0.9
267.06522	1.0
267.10156	1.3
267.13821	1.1
268.03693	0.4
268.07315	2.6
269.04565	3.8
269.07889	3.3
270.05124	0.9
270.08582	0.5
276.07767	1.4
277.08566	1.5
277.11652	0.6
278.06772	0.4
278.09360	2.3
279.06693	0.9
279.10117	2.2
280.07617	0.7
280.10913	3.1
281.04443	1.4
281.07977	0.8
281.11462	0.6
282.08902	0.7
283.06018	12.0
283.09604	3.8
284.06790	3.9
285.04065	0.6
285.07532	1.3
291.06546	1.1
291.10132	4.7
292.07462	0.9
292.10919	1.2
293.08044	3.0
293.11679	6.7
294.12421	1.9
295.06000	1.6
295.09705	1.3
295.13284	6.1
296.06790	2.4
296.10007	0.7
296.13501	0.5
297.07596	5.9
298.04575	0.8
298.07999	0.8
299.05490	1.5
300.06293	4.4
305.07956	0.5
306.09015	1.9
307.09662	3.9
308.07193	0.4
308.10373	2.1
309.07639	0.9
309.10873	0.7
310.08325	4.1
310.11884	1.1
311.05612	0.8
311.09073	6.6
312.05991	0.5
313.07108	5.7
314.07828	51.8
315.08334	4.9
321.11166	16.7
322.11920	5.6
323.09143	2.9
323.12808	6.7
324.09766	0.5
325.10721	0.6
325.14291	7.2
326.07840	2.0
327.08640	5.5
328.09335	1.2
337.10608	0.7
338.11496	4.1
340.09308	0.9
341.10172	7.6
342.10526	0.5
352.13043	2.3
353.13824	49.8
354.10727	0.7
354.14264	3.2
355.11716	0.9
355.15558	0.6
368.12686	1.0
383.14880	100.0
384.15189	6.8
421.10324	1.3
497.09933	0.4
535.63397	0.5
543.14331	1.8
543.36804	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	1.2
59.14435	0.7
59.67878	0.7
61.55194	0.6
62.49260	0.7
67.05476	2.1
69.03934	7.4
69.07060	1.5
74.17027	0.7
77.62188	0.7
79.05481	1.2
81.07017	2.8
86.09697	5.3
91.05457	0.9
95.08570	1.6
98.22642	1.7
146.98187	8.3
153.07040	0.9
165.06953	2.7
166.07774	0.8
178.07832	0.7
179.08534	1.7
181.06499	2.8
182.07205	0.7
183.08046	1.6
184.05139	1.6
185.05939	0.8
192.05659	0.9
193.06393	1.2
194.07173	0.9
195.08046	0.8
196.08827	1.7
197.05971	3.0
198.06729	1.4
199.07501	2.5
205.06537	0.9
207.08003	5.3
208.08829	1.4
209.06000	2.1
209.09573	2.6
210.06705	3.5
211.07533	5.4
211.11125	0.8
213.05278	1.1
213.09091	1.6
219.08000	1.6
220.08810	1.2
221.05957	1.4
221.09673	0.9
222.06677	1.4
223.07503	2.4
224.04720	1.8
224.08319	5.9
225.05508	3.6
225.08995	1.8
226.06224	2.6
226.09920	1.1
227.07040	5.3
233.09674	1.3
234.06598	1.4
235.07516	8.6
236.08229	3.9
237.05446	3.3
237.09015	5.1
238.06161	1.4
238.09807	1.9
239.07060	5.7
239.10614	6.2
240.07852	4.1
241.04951	2.2
241.08638	4.9
242.05679	2.0
247.07677	1.9
248.08173	1.4
249.09087	3.0
250.06300	2.3
250.09785	1.9
251.07001	4.1
252.07811	9.3
253.04962	2.7
253.08606	4.5
254.05789	3.9
254.09346	2.3
255.06540	7.8
255.09857	1.0
256.07153	3.1
257.08130	1.8
261.09088	1.8
263.07080	5.7
264.07828	1.5
265.05338	1.4
265.08603	11.4
265.12180	2.0
266.09244	4.5
267.06598	5.2
267.10147	19.6
268.07269	8.5
268.10391	1.5
269.04517	2.3
269.08078	8.2
269.11581	2.0
270.05215	3.2
270.08588	1.0
271.06250	0.8
271.09564	1.4
277.08563	2.6
278.05743	1.1
278.09317	3.4
279.06482	3.9
279.09918	1.4
280.07303	4.3
280.10419	0.8
281.04495	4.6
281.08093	3.8
281.11386	0.9
282.05429	1.9
282.08887	6.9
283.06000	5.4
283.09576	4.2
284.06772	8.8
284.09943	1.3
285.07538	9.4
291.06851	1.2
291.10049	1.7
292.10635	1.0
293.08057	6.4
293.11676	3.0
294.08728	4.6
295.06064	3.1
295.09583	20.2
295.12988	1.3
296.06772	4.6
296.10181	2.0
297.04166	1.7
297.07565	11.3
297.11206	15.7
298.05014	1.3
298.08246	3.1
298.11307	1.3
299.02438	1.2
299.05502	7.4
299.09122	17.2
304.07382	0.8
305.08075	2.7
307.09494	2.0
308.10416	2.0
309.07523	2.9
309.11060	1.6
310.08307	6.1
311.05533	5.5
311.09100	3.4
311.12491	1.1
312.06274	1.5
312.09869	2.3
313.07043	8.0
314.07672	2.9
315.08377	1.7
319.09641	2.6
320.10281	1.2
321.07559	3.1
321.11234	2.5
323.09128	1.4
323.12708	3.3
324.09940	5.3
325.07190	2.1
325.10660	33.1
326.07822	29.0
326.11252	4.3
327.04895	3.0
327.08585	19.6
327.12259	5.0
328.08920	1.8
335.09018	1.5
336.09866	2.9
337.10669	2.3
337.27591	1.0
339.12338	2.8
340.09381	4.2
341.10422	1.4
341.13870	1.2
342.07303	8.6
343.07458	1.1
344.06003	0.8
350.11441	2.3
351.08337	1.1
351.12305	11.4
355.11749	64.8
356.12134	5.4
357.09686	29.9
358.10025	2.4
366.10974	1.4
369.13293	16.0
370.13892	0.9
381.13324	8.0
399.14374	75.0
400.14709	6.7
421.12570	100.0
422.12943	9.1
479.65338	0.8
483.24976	3.2
484.25232	3.2
542.32031	1.5
543.16235	45.1
543.32831	2.5
544.16638	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66943	0.5
53.03958	0.5
55.01867	0.6
55.05509	0.7
60.50481	0.6
67.05491	2.9
69.04200	1.2
69.04604	4.1
69.07072	1.6
71.08631	1.0
75.91455	0.6
79.05488	2.4
81.03414	1.8
81.07037	2.0
83.08651	0.7
91.05489	2.3
93.07047	2.8
95.04995	1.0
95.08607	2.8
95.79711	0.6
96.19580	0.6
98.32723	0.6
99.08096	0.8
105.07012	2.2
107.04921	0.7
107.08595	2.1
109.10162	1.1
119.08582	1.2
121.10123	1.6
131.08542	1.3
133.10103	1.7
135.11720	0.9
145.10136	0.8
147.11636	0.8
157.10088	1.0
159.11674	0.9
169.06497	0.9
179.14276	1.6
181.06526	0.6
183.11722	0.6
197.05977	1.5
198.06726	1.0
199.07457	0.7
201.09053	0.6
211.07555	0.9
213.09268	0.7
214.06273	1.3
223.07498	1.0
224.08298	0.6
225.05547	0.8
225.09050	1.0
226.06226	1.1
227.07065	1.8
229.04942	0.6
229.08519	0.6
233.09633	0.8
235.07616	0.6
235.11147	0.9
236.11926	0.8
237.09126	1.0
238.09816	0.8
239.07037	1.6
240.04219	0.8
240.07831	0.9
241.04918	1.8
241.08615	1.4
242.05728	1.4
249.09079	1.6
250.09940	0.7
251.07040	1.3
251.10693	1.9
252.07739	0.6
253.04851	0.7
253.08606	1.5
254.05608	0.7
254.09348	1.5
255.06557	3.4
255.10205	1.6
256.04880	0.6
256.07175	3.5
257.04434	0.9
257.08136	2.9
261.09091	1.1
262.09753	0.8
263.07034	0.7
263.10648	3.4
264.07678	1.0
264.11508	3.4
265.08676	1.6
265.12183	0.9
266.09460	0.7
267.06534	1.2
267.10077	0.9
268.07242	2.0
268.10861	1.0
269.05106	0.8
269.08115	3.4
269.10959	0.6
270.08890	1.1
271.06052	1.5
271.09415	0.9
272.06686	3.0
272.09909	0.7
275.20023	0.7
277.08646	1.3
277.12115	0.9
277.21567	1.6
278.09402	1.1
278.12994	1.3
279.10153	4.1
279.13791	2.3
280.07562	1.0
280.10980	2.2
281.08099	2.3
281.11459	0.7
282.08942	1.5
283.06653	0.7
283.09677	3.8
283.12552	0.7
284.06805	5.3
284.09988	1.2
285.04361	1.3
285.07559	6.0
287.09210	1.0
291.10086	3.2
292.10803	2.4
292.13928	0.6
293.08185	1.3
293.11679	2.8
294.08856	0.8
294.12311	1.4
295.09854	1.3
295.13293	4.9
296.07025	1.1
296.10477	1.7
297.07562	3.4
297.10611	0.7
298.08337	1.9
299.05722	1.2
299.09113	14.5
299.12241	0.8
300.06256	5.3
300.09772	2.1
301.06921	1.7
305.08334	0.8
305.11670	1.4
306.09103	1.2
306.12112	3.0
307.09625	2.9
307.13251	3.2
308.10419	2.3
308.13809	1.2
309.07559	0.8
309.11142	2.4
309.14828	2.2
310.15390	1.1
311.09122	4.5
311.12775	1.3
312.09888	10.2
313.06992	2.7
313.10715	4.3
314.07816	1.1
315.08588	10.8
315.12033	0.8
316.09290	7.4
320.10330	1.2
321.11090	1.8
322.11905	5.7
323.09009	1.3
323.12695	8.8
324.13452	1.0
325.10641	1.5
325.14197	1.0
326.07819	0.6
326.11444	13.5
326.14838	1.0
327.08597	1.6
327.12051	2.6
328.09460	2.6
329.10120	3.3
330.10950	27.5
331.11533	4.3
336.13684	1.1
337.10583	1.9
337.14279	18.7
338.11435	1.3
338.15030	7.8
339.12173	3.7
339.15924	1.9
341.10294	0.9
341.17413	3.2
342.10901	3.0
343.11737	7.4
344.12299	1.4
351.12189	2.2
352.12811	1.2
353.13824	17.2
354.14465	2.4
356.12473	1.0
357.13269	8.3
364.89230	0.7
367.15479	1.0
368.16162	32.6
369.13620	1.5
369.16946	23.6
370.17581	1.2
381.13043	0.9
383.13983	0.7
384.15625	3.5
399.18011	100.0
400.18396	7.3
421.16174	17.6
421.31168	1.0
422.16287	1.3
439.17407	0.9
543.36658	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
57.03421	0.3
57.33453	0.2
63.60209	0.2
65.39243	0.2
69.07783	1.1
69.08208	1.0
70.29374	0.3
70.63257	0.2
76.36433	0.2
79.05483	0.9
83.01107	0.4
91.05490	1.0
95.01077	1.7
95.04970	0.7
96.01849	0.7
103.05462	0.6
105.07011	0.8
107.04954	19.5
107.08556	0.3
111.00488	0.3
112.01352	0.4
113.02113	1.4
113.20605	0.2
115.05458	1.5
117.07018	0.6
121.06487	0.4
123.86073	0.3
135.08067	1.6
137.01573	0.2
145.07585	0.3
146.07323	0.6
147.08070	0.6
157.04820	0.3
162.06850	0.3
163.07539	12.1
164.07848	0.3
171.04167	1.0
177.09149	1.5
178.09879	3.0
185.04211	2.6
186.06522	10.0
187.07237	1.0
201.03688	3.4
201.08940	0.6
203.05276	0.9
203.10663	0.5
257.09375	0.2
363.15649	1.6
365.12094	0.3
379.13437	1.3
380.87207	0.3
528.19684	0.3
543.21979	100.0
544.14130	0.6
544.22321	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2203
Annotation	(7R,8S)-7'-Deoxo-2'-deoxy-2',3':7,8-diepoxy-7',5'-(ethylideneoxy)verrucarin A
Peak:m/z	Relative Intensity
54.21711	0.1
55.01882	0.2
61.82810	0.1
64.01925	0.2
65.03944	0.1
67.57513	0.2
69.05847	0.3
69.06244	1.5
74.69582	0.1
76.86285	0.1
79.05495	1.2
83.01086	0.7
86.81140	0.1
91.05473	1.2
95.01099	1.2
95.04975	0.6
96.01898	0.6
98.23336	0.3
98.37278	0.2
103.05464	0.8
105.07056	0.5
107.04953	17.4
107.08601	0.2
108.05278	0.4
111.00614	0.2
112.01368	0.5
113.02127	1.9
115.05455	1.3
117.07027	0.7
121.06512	0.4
128.09598	0.2
131.04950	0.2
135.08052	1.6
137.05997	0.7
141.01605	0.3
141.05212	0.3
145.06572	0.2
145.07620	0.4
146.07246	0.7
147.08101	0.4
151.07536	0.3
157.04765	0.5
161.06050	0.2
161.09683	0.2
162.06766	0.3
163.07530	10.9
164.07933	0.2
167.03169	0.3
171.04170	1.1
171.08020	0.2
175.03650	0.2
175.07605	0.3
177.09085	1.5
178.09888	2.4
185.04204	3.2
185.05710	0.3
186.06516	11.3
187.07289	1.5
201.03705	4.8
201.08893	0.7
203.05240	1.7
203.10715	0.5
363.15628	2.6
365.11942	0.4
379.13504	1.5
381.16830	0.7
483.19473	0.4
511.17560	0.2
528.20435	0.2
543.21973	100.0
544.22284	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06555	0.7
51.30813	0.6
53.03849	1.8
53.04084	1.3
55.01761	2.0
55.05403	3.0
55.05686	1.2
57.03349	1.3
65.03840	1.6
67.05371	4.3
67.05766	1.7
68.85282	0.7
68.99667	0.9
69.03293	12.8
69.03717	3.6
69.06969	1.3
69.21928	4.6
71.01218	0.6
71.04846	0.6
74.17982	0.6
79.05350	11.3
79.05869	2.5
81.03322	1.5
81.06906	34.8
81.07443	6.7
82.07259	0.7
83.01200	2.0
83.01671	0.6
83.04832	4.0
85.02760	3.3
87.04299	0.7
91.05327	19.1
91.05962	2.9
93.06887	10.7
93.07527	1.8
95.01233	0.7
95.04813	7.1
95.05463	1.6
95.08453	7.8
97.02728	4.6
97.06369	5.6
97.07048	1.3
98.60114	0.7
99.04343	1.4
103.05312	3.1
104.06125	0.7
105.03268	0.8
105.04429	0.9
105.06858	17.5
105.07641	1.9
107.04794	3.2
107.08424	8.6
109.02772	1.3
109.06348	23.8
109.07169	2.4
109.09998	2.2
111.04278	3.3
111.07909	6.0
113.02229	1.5
115.05281	4.8
115.06133	1.2
116.06091	1.5
117.06844	11.8
117.07723	1.1
118.07703	0.7
119.04756	2.9
119.05582	0.9
119.08400	12.5
119.09311	1.2
121.06331	9.9
121.09962	4.5
123.04257	2.8
123.07887	12.3
125.05793	2.6
125.09511	0.8
128.06038	10.7
129.06813	14.8
130.07576	2.2
131.04741	2.5
131.08386	14.8
132.05527	0.8
133.06303	7.7
133.09943	8.3
135.04242	3.1
135.07875	9.6
135.11520	0.7
137.05977	44.7
137.06943	3.1
137.09590	3.3
137.10350	0.8
138.06197	0.8
139.07516	5.5
141.06801	9.9
142.07584	8.1
143.04814	1.0
143.08562	33.6
144.05557	1.2
144.09026	2.9
145.06285	8.6
145.10121	12.3
146.07092	1.9
146.08098	0.8
147.04213	1.8
147.08043	12.6
147.11639	3.9
148.08627	0.8
149.05989	6.8
149.09604	6.3
151.03674	1.1
151.07526	3.9
151.10976	0.7
152.06046	1.3
153.05270	4.7
153.06789	3.5
154.07568	3.6
155.05838	0.7
155.08565	12.4
155.25644	0.6
156.09103	3.3
157.06270	3.1
157.10126	13.9
158.07069	3.8
158.10750	0.9
159.04211	1.0
159.08055	20.4
159.11707	9.1
160.08618	3.4
161.05980	3.3
161.09619	13.2
161.13136	1.6
162.10057	0.9
163.07535	5.0
163.11017	1.8
165.05423	1.3
165.06830	4.5
165.08966	2.6
166.07796	4.8
167.06978	1.6
167.08354	4.8
168.09367	5.0
169.06284	2.4
169.10118	14.7
170.07112	1.8
170.10617	1.5
171.04207	0.7
171.08058	9.3
171.11702	9.3
172.08856	3.8
172.12245	0.8
173.05765	2.5
173.09628	14.0
173.13037	2.3
174.06595	0.6
174.10141	2.0
175.07565	8.6
175.11176	7.0
175.14697	1.1
176.07985	0.7
177.05293	2.0
177.06709	0.9
177.09128	5.0
178.07607	2.0
179.06897	2.8
179.08388	5.4
179.10217	1.4
180.09254	1.2
181.06375	1.8
181.10126	11.3
182.07210	1.0
182.10652	1.9
183.08055	5.8
183.11673	7.3
184.08800	3.2
184.12126	0.8
185.05806	1.8
185.09616	17.8
185.13074	1.7
186.10118	2.5
187.07594	6.1
187.08960	1.2
187.11162	13.8
188.08087	1.4
188.11391	1.0
189.05254	1.0
189.09103	15.1
189.12697	3.3
190.09419	0.8
191.06859	2.5
191.08440	1.4
191.10464	2.7
192.09116	2.2
193.08395	6.9
193.10014	5.5
193.11781	1.1
194.07071	0.7
194.10594	1.5
195.08093	4.5
195.09596	1.3
195.11703	4.4
196.08546	2.7
197.09630	6.9
197.13298	3.4
198.10181	1.0
199.07564	4.3
199.09163	0.8
199.11189	9.7
199.14583	0.9
200.08170	0.9
200.11816	1.5
201.05249	0.8
201.09128	9.1
201.12718	6.6
202.07712	1.0
202.09560	1.5
202.13310	1.2
203.06831	1.7
203.08647	1.3
203.10637	8.1
204.09193	1.3
205.08485	4.4
205.10030	2.3
205.11906	1.5
206.08975	0.9
206.10721	1.6
207.08086	1.2
207.09839	3.3
207.11821	5.2
208.08600	1.3
208.12207	1.3
209.09673	6.6
209.13293	3.7
210.10161	2.5
211.07338	2.9
211.11160	7.9
211.14514	0.8
212.11766	0.8
213.09123	5.7
213.12675	4.7
215.08612	1.2
215.10612	4.5
216.09254	1.4
217.08456	4.0
217.10210	1.3
217.11986	3.6
218.10841	1.6
219.08060	0.7
219.09975	8.5
219.11696	1.3
219.13556	1.3
220.08653	1.2
220.12340	1.0
221.09448	2.7
221.13316	4.0
222.10265	1.5
223.07474	1.4
223.11206	5.9
223.14624	2.2
224.08142	1.3
224.11809	1.1
225.09192	3.6
225.12700	5.4
226.09782	1.3
227.06941	1.1
227.10640	6.4
227.14133	2.4
229.08347	2.0
229.12201	3.7
229.15717	0.9
231.09729	3.6
231.11816	1.6
232.12320	1.9
233.09489	2.2
233.11557	1.9
233.13330	1.8
234.10220	1.9
235.11316	5.4
235.14690	1.2
236.08202	1.0
236.11719	2.1
237.08900	2.6
237.12743	5.5
238.13174	1.4
239.10706	3.4
239.14293	3.9
240.14725	0.7
241.08347	2.6
241.12315	3.2
241.15575	0.8
243.09991	2.8
243.13763	1.4
244.12567	0.9
245.11467	4.5
246.10156	1.9
247.05681	0.8
247.11362	4.3
247.14746	1.5
248.11703	2.0
249.08948	1.2
249.12802	4.9
249.16330	0.8
250.13445	1.5
251.10703	3.3
251.14339	3.3
252.11319	1.3
253.08308	0.9
253.12283	5.8
255.09984	2.1
255.13605	2.8
256.14551	1.5
257.11517	1.0
257.13257	1.0
258.13925	0.8
259.09213	1.5
259.11392	1.1
260.11850	1.9
261.12540	3.0
261.16257	0.9
262.09772	1.2
262.13232	1.3
263.10571	2.6
263.14316	1.6
264.11414	1.7
265.08630	0.6
265.12085	5.4
265.15524	0.9
266.12820	1.4
267.11038	0.7
267.13687	3.4
267.16992	1.4
268.14520	0.8
269.11520	1.5
269.15344	1.1
271.09247	1.2
271.13223	1.0
273.12888	1.5
273.15784	0.7
274.13287	1.5
275.10513	2.1
275.14026	2.3
276.11304	1.5
276.14801	0.9
277.11966	4.2
277.15561	1.8
278.12817	1.6
279.13614	2.9
279.17038	1.0
281.11612	1.6
281.15289	0.8
283.09439	0.9
283.13113	3.2
285.14935	1.2
287.12869	1.3
287.17603	0.7
289.15887	1.2
291.13870	1.3
291.17355	2.2
293.11536	1.6
293.15265	1.0
295.13156	2.6
295.16785	1.6
297.15302	0.8
299.12991	1.0
301.11426	1.1
301.15701	2.3
303.13550	1.9
303.17075	1.2
305.11746	1.4
305.15375	1.6
307.13239	1.0
307.16779	1.4
309.18149	1.4
311.12891	1.6
313.14648	1.3
315.13339	1.3
317.15112	1.5
319.13171	1.4
319.16742	1.7
321.11078	1.0
321.14648	1.5
321.18433	0.9
323.12674	1.6
323.16354	0.9
325.14673	1.1
327.13718	1.0
327.17331	0.8
329.14505	1.9
331.16727	1.5
333.13556	1.2
333.18454	0.8
335.16254	1.0
336.16827	0.9
337.17911	1.6
341.14343	1.2
342.83957	0.7
343.16916	1.2
345.14713	1.1
345.18466	1.4
347.16348	1.9
349.17798	1.6
351.15692	0.9
357.13705	1.7
359.16068	1.9
361.17773	1.6
363.19470	4.3
365.17130	2.9
371.15433	0.8
371.20023	1.0
373.17776	2.9
375.19775	4.3
377.17041	3.0
385.18106	1.5
387.19501	1.9
389.17023	1.8
389.21378	1.3
391.18942	6.4
393.16672	1.5
393.20941	1.3
397.18109	1.3
401.17300	1.7
403.19250	5.2
405.20801	4.9
407.18460	2.4
409.20212	1.6
411.17410	1.2
413.17712	0.9
415.19153	6.0
417.16519	1.9
417.20883	2.1
419.18253	4.6
421.20337	8.4
422.20914	1.9
423.21524	2.9
424.22833	0.8
425.17651	1.5
427.19293	1.1
429.16891	1.9
431.18738	8.2
432.19302	1.6
433.20233	11.3
435.17282	2.6
435.21701	4.2
437.19360	12.5
437.24326	0.8
438.19958	0.9
439.21518	1.3
443.18402	3.7
445.20157	4.3
447.18094	4.4
449.19644	40.3
450.19962	4.4
451.21271	21.4
452.21783	1.6
453.22992	16.8
454.22952	1.3
455.20416	1.0
459.18124	1.8
461.19608	10.3
463.21283	6.7
465.19247	5.3
467.20755	27.1
468.21042	3.0
469.22485	4.4
471.17911	3.1
471.23868	4.4
477.18951	5.1
479.20697	14.6
480.20892	1.2
481.22195	12.3
482.22318	1.3
483.20361	3.3
489.19019	7.8
495.20239	7.4
497.21722	39.1
498.22458	3.3
499.23273	100.0
500.23645	8.8
501.21173	8.8
507.20139	17.0
508.20105	1.7
513.20874	1.6
515.22687	1.5
525.21191	24.5
526.21545	2.5
543.22302	38.4
544.23004	3.3
561.23407	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2224
Annotation	Physalin II
Peak:m/z	Relative Intensity
51.02321	0.6
53.03881	2.1
53.04109	0.6
55.01802	3.3
55.05438	3.2
57.03383	1.4
57.03644	0.8
65.03887	1.3
67.05425	4.8
68.99706	0.6
69.03347	13.8
69.06991	2.5
71.01300	0.7
71.04919	1.1
71.31596	0.6
77.03844	0.8
79.05486	12.0
81.03343	1.4
81.06966	34.8
81.07494	2.4
82.07298	0.9
83.01267	1.7
83.04984	2.9
85.02816	2.9
91.05474	16.5
93.07034	10.6
95.04961	8.1
95.08600	9.3
97.02793	3.4
97.06522	5.1
99.04359	1.0
101.40217	0.6
103.05369	2.4
105.04444	1.2
105.07027	20.1
105.07690	0.8
107.04945	3.6
107.08586	7.7
109.02809	0.9
109.06516	22.2
109.10055	2.2
109.10767	0.7
111.04430	3.8
111.08069	5.7
113.02264	1.4
115.05441	5.0
116.06195	1.4
117.07013	13.7
119.04842	2.6
119.05911	0.6
119.08580	11.7
121.06503	8.0
121.10175	4.1
123.04329	2.0
123.08054	12.8
123.59834	0.6
125.05984	3.2
125.09525	0.7
128.06227	10.1
129.07008	13.5
130.07631	1.9
131.04829	1.9
131.08568	15.6
131.09514	0.7
132.05585	1.0
133.06479	6.6
133.10124	9.8
135.04274	2.2
135.08047	10.1
135.11617	0.9
137.05969	37.8
137.09578	3.5
138.06187	1.4
139.03879	0.7
139.07532	4.6
141.06969	8.3
142.07791	8.1
143.08559	26.7
144.00508	0.6
144.05563	1.7
144.09007	2.1
145.06497	8.6
145.10124	11.5
146.07135	1.8
147.04350	1.0
147.08034	10.8
147.11560	2.6
149.04893	0.6
149.05983	5.6
149.09627	5.6
151.03813	1.2
151.07545	3.0
152.06056	1.1
153.05374	4.9
153.06862	3.0
154.07748	3.8
155.08542	12.2
156.09201	2.5
157.06500	3.5
157.08940	1.1
157.10110	13.5
158.07249	3.1
158.10822	1.2
159.08047	17.5
159.11670	8.4
160.08667	2.3
160.11879	0.7
161.05870	2.5
161.09618	11.6
161.13103	1.1
163.03894	0.8
163.07552	3.1
163.11143	1.6
165.05380	1.7
165.06889	5.2
165.09027	1.8
166.07855	3.4
167.06949	1.9
167.08449	4.9
168.09346	4.3
169.06396	1.7
169.10126	13.3
170.07133	1.3
170.10747	0.9
171.08029	9.8
171.11678	7.8
172.08687	2.8
173.05884	2.4
173.08275	0.9
173.09625	15.0
173.13297	3.1
174.06563	1.0
174.10234	1.5
175.07516	7.5
175.11176	6.0
177.05426	1.4
177.09094	3.7
178.07689	1.5
179.06937	1.8
179.08461	5.3
179.10571	1.0
180.09154	1.8
181.06421	0.9
181.08630	1.1
181.10095	10.3
182.07144	0.7
182.10706	1.2
183.08073	4.5
183.11644	6.3
184.08768	1.9
185.05945	1.1
185.09616	16.1
185.13120	1.9
186.10217	2.1
187.07550	5.5
187.11147	10.4
188.08226	1.0
188.11681	1.4
189.05373	1.2
189.09091	14.1
189.12631	2.5
191.06909	2.3
191.08531	1.5
191.10617	3.0
191.12059	0.7
192.09227	2.3
193.08481	5.7
193.10056	4.7
194.10741	1.7
195.08029	3.6
195.11713	4.4
196.08684	1.9
197.09602	5.4
197.13202	1.6
198.10181	1.8
199.07564	3.7
199.09653	0.7
199.11165	8.8
199.14694	0.6
200.11960	1.3
201.09111	8.3
201.12738	6.9
202.07701	1.1
202.09760	1.2
203.06888	1.5
203.08519	1.7
203.10561	5.7
204.09221	1.2
205.08473	2.8
205.10112	1.5
205.12013	1.2
206.10774	2.4
207.08107	1.2
207.10030	2.4
207.11790	4.3
208.08833	1.0
208.12288	1.0
209.07956	0.7
209.09673	5.7
209.13240	3.3
210.10275	2.2
211.07439	2.3
211.11194	4.7
211.14594	0.8
212.08179	1.3
212.11685	1.3
213.09116	5.0
213.12691	3.8
214.09659	0.8
214.13196	0.7
215.06874	0.8
215.08727	1.0
215.10635	4.2
215.14052	0.7
216.09251	1.3
217.08385	2.9
217.10117	1.9
217.12164	3.1
218.10771	2.0
219.06317	1.0
219.08150	1.2
219.09912	5.8
219.11726	1.7
220.08754	1.5
220.12430	1.1
221.09743	2.9
221.13203	3.2
222.10255	1.8
223.07648	0.8
223.11147	4.7
223.14711	2.0
224.11804	2.1
225.09106	4.2
225.12727	4.8
226.09666	0.9
227.06967	1.2
227.10683	7.1
227.14240	2.2
228.11304	0.9
229.08461	1.8
229.12007	3.0
230.10936	0.9
231.09883	1.3
231.11794	1.6
231.13744	0.8
232.12306	1.4
233.09480	2.3
233.13318	1.4
234.10304	1.4
235.11362	3.5
235.14752	1.3
236.11801	1.4
237.09212	3.2
237.12723	4.6
239.10709	3.1
239.14206	2.9
241.12178	2.3
243.10054	2.5
243.13777	1.3
245.09579	1.5
245.11507	3.9
246.10275	0.9
247.11377	3.2
247.14857	1.0
248.11890	1.1
249.08891	1.1
249.12813	5.8
249.16434	0.8
250.09857	1.2
250.13344	0.9
251.10507	2.7
251.14223	2.5
252.11281	1.1
253.08293	1.0
253.12386	3.2
253.15790	1.1
255.10046	2.2
255.13826	2.2
256.14499	0.8
257.11401	1.0
257.15515	0.7
258.14050	1.0
259.09244	1.0
259.11246	0.9
259.15051	0.7
260.11917	0.9
260.15341	0.7
261.12677	3.1
261.16348	0.9
262.09793	1.1
263.10495	2.4
263.14142	1.9
264.11258	1.1
265.08371	0.7
265.12128	4.4
266.13000	1.4
267.10535	1.4
267.13715	4.0
267.16458	0.7
268.14551	1.1
269.11630	1.0
269.15314	1.5
271.09561	1.0
271.13190	0.8
272.11911	0.9
273.12833	1.0
274.13278	0.9
275.10861	1.4
275.14285	1.6
277.12112	3.4
277.15729	2.4
278.12869	1.1
279.13870	2.9
281.11932	1.0
283.13419	3.1
285.14719	0.7
286.13440	0.9
287.12750	1.9
289.12015	1.2
289.15930	1.3
291.13696	1.7
291.17267	1.7
293.11786	1.2
293.15262	1.2
295.13220	2.0
295.16751	0.9
297.11508	0.8
297.14926	1.0
299.13208	1.3
300.11066	0.8
301.15842	1.5
303.13806	1.0
303.17374	0.8
305.11621	1.4
305.15204	1.5
305.18695	0.9
307.13443	1.4
307.16794	0.9
309.14838	0.8
309.18286	1.1
311.12994	1.1
312.15073	0.8
313.14615	1.3
315.17410	0.8
317.15198	1.6
319.13388	0.8
319.16739	1.2
321.14758	0.8
321.18359	1.0
323.12506	0.9
327.13766	1.0
329.14526	1.1
331.17072	1.1
333.13312	1.4
335.16455	1.1
337.17911	1.7
341.14041	1.0
345.14685	1.5
345.18491	1.1
347.16229	1.6
347.20148	0.9
349.17926	1.2
359.16003	1.5
359.20047	0.9
361.17856	1.4
363.15686	1.1
363.19522	1.9
365.17337	2.2
365.21365	0.9
369.18204	0.8
373.17856	1.0
375.15552	1.4
375.19641	2.2
377.17139	1.9
387.19434	1.2
389.17361	1.1
391.18961	5.1
393.16544	1.4
393.21033	1.3
401.17331	1.1
403.19324	5.5
405.21021	3.3
407.17957	1.3
409.19696	1.1
413.17404	0.9
415.19037	5.2
417.16275	1.3
417.20853	1.6
419.18353	3.9
421.20264	6.9
423.21829	3.2
425.23065	1.7
431.18597	4.4
432.19119	0.9
433.20197	8.7
434.20428	0.9
435.17218	2.1
435.21753	4.1
437.19614	7.0
438.19559	0.9
443.18423	4.3
445.20096	4.3
447.17944	2.8
449.19583	31.2
450.20007	2.7
451.21237	18.1
452.21298	1.5
453.22870	17.7
454.23093	2.0
459.18188	0.9
461.19473	8.6
462.20068	0.9
463.21161	5.8
465.19141	3.5
467.20673	20.0
468.21207	2.0
469.22366	4.3
471.17789	2.3
471.23782	4.3
477.19177	4.7
478.19565	0.9
479.20685	13.4
480.21075	1.2
481.22171	11.3
482.22745	1.5
483.20029	3.7
489.19028	7.3
495.20255	4.3
497.21722	30.5
498.21869	3.2
499.23236	100.0
500.23544	10.9
501.21054	6.1
507.20102	13.9
508.20801	1.0
513.21143	1.3
515.22858	1.3
525.21173	19.5
526.21130	1.5
543.22217	32.9
544.22662	3.4
561.23456	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2226
Annotation	Lancifodilactone M
Peak:m/z	Relative Intensity
53.03958	1.9
55.05512	10.0
57.03434	4.0
65.05499	1.7
67.05499	10.0
69.03429	13.0
69.04666	4.2
69.05084	10.8
69.07059	5.7
71.04970	1.9
72.71479	2.0
79.05119	2.2
79.05499	20.3
81.03414	10.5
81.07057	18.7
83.01344	2.4
83.04980	4.2
83.08620	4.4
85.02892	4.3
85.06567	2.0
91.05481	28.5
93.07047	16.6
95.01348	4.7
95.04985	9.3
95.08618	13.4
97.02895	8.5
97.06489	2.8
97.10204	2.4
99.04424	2.6
103.05487	3.3
105.07036	26.1
105.51677	2.0
107.04978	8.8
107.08575	8.5
109.06538	23.8
109.07257	3.1
109.10172	8.7
111.08080	5.8
115.05464	4.5
116.06248	2.3
117.07028	12.6
119.04961	3.9
119.08569	11.8
121.06490	17.2
121.10128	8.2
123.04469	4.3
123.08071	22.0
125.06012	2.9
125.09652	2.1
128.06218	6.3
129.07014	11.8
130.07755	2.3
131.04913	6.6
131.08568	21.6
133.06497	8.5
133.10103	13.0
135.04399	5.8
135.08066	15.6
136.05185	3.0
137.05992	21.1
137.09624	13.7
138.27635	1.7
139.07562	4.9
141.06990	7.3
142.07759	4.2
143.08580	13.4
144.05673	2.8
145.06483	14.6
145.10144	14.6
146.07376	4.1
147.04396	17.3
147.08069	13.0
147.11722	4.1
149.05994	6.7
149.09569	10.3
151.03912	2.0
151.07576	3.0
153.05463	16.7
153.06969	3.6
154.07820	2.0
155.08531	6.9
157.06490	3.7
157.10141	8.6
158.07211	2.7
159.04427	2.9
159.08070	23.3
159.11626	4.4
161.05960	5.1
161.09619	24.1
163.07521	3.0
163.11208	4.4
165.07008	5.5
167.07028	6.8
167.08551	4.7
169.06479	3.9
169.10149	8.3
170.07303	2.8
171.08055	13.5
171.11649	6.7
173.06038	4.5
173.09595	12.3
175.07643	4.4
175.11153	5.4
177.05473	2.6
177.09142	15.4
179.08562	5.1
179.10703	2.4
181.06485	3.7
181.10106	4.7
183.08110	5.5
183.11629	4.3
185.09587	13.9
186.10362	3.5
187.07570	19.3
187.11192	13.8
189.09091	23.2
189.12781	3.7
191.07016	2.9
191.10655	2.7
192.09370	2.5
193.10191	6.2
193.12083	2.5
195.08064	5.5
195.11682	2.9
196.08781	5.5
197.06017	2.4
197.09554	8.8
199.07545	4.5
199.11162	2.6
201.09062	4.2
201.12746	3.5
204.09293	2.8
205.08589	18.4
205.10295	2.8
205.12216	3.5
207.10043	4.2
207.11751	3.3
209.09612	7.3
210.10478	2.5
211.07605	5.0
211.11122	13.2
211.65038	1.9
212.11879	4.5
213.09169	10.3
213.12747	4.9
215.07025	5.5
215.10623	15.5
217.12158	2.8
219.11703	3.7
221.09724	4.2
221.13268	3.1
223.11165	5.4
225.09140	4.4
225.12758	4.8
227.06966	2.3
227.10619	5.0
229.12228	20.8
230.10980	2.6
230.13013	12.8
231.10091	4.2
231.13788	6.9
233.07948	13.0
233.13445	3.3
235.11154	6.2
237.09029	2.5
237.12764	6.1
239.10690	5.0
239.14235	3.4
241.08559	3.5
241.12248	2.9
247.11159	3.7
249.12648	6.1
251.09015	4.2
251.14290	3.1
253.12274	6.1
255.10182	3.9
255.13680	3.0
256.10855	2.5
257.11548	2.7
259.13205	13.8
261.09186	2.5
261.12576	3.9
263.10730	3.4
263.14322	4.4
265.12161	5.8
267.15933	5.2
269.12006	2.4
269.15146	2.1
275.14352	3.9
277.12311	3.9
277.15756	3.1
279.13739	5.3
281.11798	3.3
281.15408	2.4
283.13208	2.9
287.14191	3.6
289.15567	2.0
291.13831	2.6
291.17313	2.8
293.13904	8.1
295.13400	3.5
301.15771	3.0
305.11981	2.9
305.15317	4.4
310.13422	2.3
311.12756	2.3
312.13379	2.3
319.16840	3.7
321.14685	2.8
323.16290	4.7
327.17542	2.4
329.15271	2.2
335.16479	3.2
345.18570	2.7
347.16324	6.5
365.17419	9.6
375.15692	3.8
375.19855	3.9
377.17178	2.3
377.21396	3.2
383.18515	5.4
391.19235	2.5
393.16693	2.4
403.19144	7.3
405.16702	3.5
419.18491	3.1
421.15942	6.0
421.20969	11.0
423.17685	5.3
427.17697	2.6
431.18530	5.7
435.21637	3.2
436.21777	2.5
439.20877	5.3
443.18182	3.7
445.18823	16.5
447.18100	4.8
449.19601	26.0
450.20142	2.6
451.25311	3.9
461.19101	4.1
463.21185	62.4
464.21442	7.1
465.18915	6.7
467.20749	17.5
468.21112	2.2
469.18112	10.4
477.18860	8.5
479.20462	8.7
481.22211	91.3
482.22864	9.0
483.19955	3.2
489.19022	13.0
495.20129	89.7
495.27448	4.3
496.20428	7.4
497.21655	4.1
499.22842	5.9
507.20175	96.1
508.20374	12.4
513.21112	8.7
513.48065	2.3
525.21179	44.1
525.28265	6.7
526.22083	3.7
543.22101	100.0
543.30579	31.2
544.22491	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60842	0.2
52.28472	0.2
52.55473	0.2
59.04985	0.2
61.84184	0.2
71.05014	0.4
79.05473	0.2
81.03438	0.2
81.07059	0.3
81.18562	0.2
85.02920	0.2
91.05492	0.3
93.07060	0.4
98.22566	0.4
103.05473	0.2
105.06976	0.3
107.04967	0.3
109.06519	0.3
121.06481	0.3
123.04427	0.3
125.09657	0.8
133.06409	0.2
136.17583	0.2
137.05984	0.8
139.11102	0.3
145.06528	0.2
147.08034	0.2
149.05962	0.3
151.03889	0.5
153.05510	0.3
163.07544	0.3
164.07968	0.4
175.03340	0.2
175.07529	0.5
176.07835	0.3
201.09109	0.3
203.05392	0.5
221.11713	0.5
222.12012	0.5
224.22289	0.2
275.07269	0.3
317.08450	0.7
335.09512	2.1
345.25488	0.2
411.19928	13.0
412.20432	0.8
435.18115	0.5
453.18860	0.6
543.24139	100.0
544.24469	9.1
544.32745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01873	3.5
55.05510	6.3
57.03450	1.3
57.07080	1.2
65.03932	2.3
67.05505	9.1
69.03435	8.4
69.07069	4.3
71.04991	4.1
71.30167	1.0
77.03922	0.7
79.05494	16.3
79.05958	0.8
81.03429	3.1
81.07057	32.2
82.07378	0.7
83.04981	12.5
83.08620	1.5
85.02889	0.9
85.06541	1.0
91.05481	46.3
92.05824	1.3
93.07047	15.4
95.04968	13.1
95.08604	9.4
97.02894	15.6
97.06538	2.7
99.04462	9.2
103.05456	4.0
104.06248	0.9
104.72508	0.7
105.03376	0.7
105.04516	1.0
105.07031	21.3
107.04942	3.8
107.08595	28.6
108.09001	0.7
109.02891	1.4
109.06516	22.5
109.10159	3.8
111.04443	11.5
111.08075	7.9
113.06007	1.7
115.05456	19.4
116.06279	0.7
117.07019	43.6
118.07335	0.7
119.04948	2.4
119.06070	1.5
119.08578	33.1
120.08900	0.9
121.06514	6.6
121.10155	4.0
123.04395	1.2
123.08074	5.0
123.11698	0.6
125.06041	1.5
127.03912	1.5
127.07551	1.1
128.06216	4.6
129.07011	9.4
129.07901	1.1
129.10971	0.6
130.07750	1.2
131.04929	1.2
131.08571	14.1
132.05714	2.1
133.06523	2.9
133.10127	6.9
135.04437	0.7
135.08052	26.2
135.11673	1.2
137.05978	27.2
137.09612	1.2
138.06311	1.5
139.07549	2.1
141.06985	5.1
142.07776	6.0
143.04881	0.7
143.08566	14.4
144.09335	1.9
145.06487	100.0
145.10126	16.8
146.06850	2.9
146.45932	0.7
147.08049	47.1
147.11699	2.9
148.08395	1.7
149.05989	1.9
149.09621	4.0
151.07520	0.7
153.05583	0.9
153.06973	2.4
154.07755	1.5
155.05962	1.0
155.08553	11.6
156.09309	2.2
157.06500	2.1
157.10126	13.9
158.07355	1.0
158.10658	0.7
159.08037	5.6
159.11681	7.3
161.05974	1.3
161.09613	6.1
161.13309	1.6
163.07541	49.7
163.11191	1.3
163.42172	0.6
164.07893	1.3
165.06947	3.2
165.09152	1.0
166.07780	1.8
167.07172	1.0
167.08533	5.3
168.09306	2.2
169.06445	1.5
169.10144	11.5
169.12561	0.6
170.10756	1.0
171.08022	4.6
171.11694	6.3
172.08803	1.1
173.05986	21.1
173.09598	7.8
173.13234	5.1
174.06352	0.9
175.07570	1.9
175.11215	4.6
177.05591	0.7
177.09047	1.6
178.07750	2.0
179.08566	7.3
179.10170	0.8
180.09340	4.0
181.06523	0.9
181.08664	1.2
181.10098	10.0
182.07321	0.8
182.10846	2.2
183.08043	3.4
183.11703	7.5
184.08737	0.8
185.09636	5.1
185.13223	4.3
187.07587	1.9
187.11156	4.4
187.14827	1.3
189.09145	3.0
189.12697	1.1
191.07034	22.8
191.08533	1.4
191.10579	1.4
192.07643	0.8
192.09271	3.1
193.10146	7.4
193.12061	1.3
194.10864	1.9
195.08063	1.7
195.11707	7.9
196.12444	1.9
197.09619	6.5
197.13257	5.0
199.07515	0.8
199.11183	4.9
199.14787	2.1
201.09129	3.1
201.12773	2.2
201.16365	3.1
203.08702	0.9
203.10640	1.7
204.09373	1.0
205.08473	1.2
205.10158	3.1
206.10921	3.5
207.08405	0.9
207.10091	2.5
207.11713	5.7
208.08777	1.0
208.12447	2.3
209.08060	19.8
209.09665	1.7
209.13228	6.8
210.10365	1.4
210.13762	1.1
211.11377	4.7
211.13084	1.0
211.14833	9.4
213.09045	1.6
213.12723	3.6
215.08781	0.8
215.10641	3.1
215.14279	1.9
217.10211	1.5
217.12077	0.8
218.10963	1.6
219.08226	0.8
219.10106	2.0
219.11719	2.8
220.12393	1.6
221.09601	2.7
221.13383	6.0
222.10394	0.7
222.13962	2.1
223.11208	3.6
223.14760	3.3
224.11876	1.5
224.15482	0.8
225.09053	1.5
225.12730	3.1
225.16335	1.4
227.08978	1.0
227.10754	1.7
227.14320	2.3
229.12193	2.1
229.15880	16.9
230.11093	1.3
231.11699	2.0
232.12515	1.4
233.09624	1.1
233.13448	3.7
235.11263	3.2
235.14781	4.8
236.11928	1.5
236.15575	2.0
237.12781	3.6
237.16237	4.1
238.13393	0.7
239.10652	1.7
239.14305	7.7
239.17990	1.1
241.12173	1.4
241.15884	1.1
243.11694	0.7
243.13855	0.7
245.13290	2.8
246.10440	0.8
246.14090	1.4
247.11107	1.0
247.15068	3.0
248.11841	1.0
249.13054	3.1
249.16383	2.5
250.17323	0.7
251.10802	1.0
251.14340	2.7
251.17918	0.8
253.12170	1.3
253.15918	1.4
255.13847	3.0
257.15372	25.8
258.15891	1.0
259.13321	0.9
261.12775	1.8
261.16370	1.5
263.10739	0.7
263.14301	5.3
263.17896	1.9
264.15097	1.9
264.18646	1.6
265.12216	1.1
265.15881	3.5
265.19534	2.8
266.16666	0.9
266.19962	0.8
267.17581	1.2
267.21188	0.9
269.15561	0.9
273.15115	1.2
275.17963	1.9
276.18713	1.2
277.15979	0.7
279.13788	2.2
279.17410	1.6
281.12021	0.7
281.15292	1.5
283.20425	1.0
289.15765	0.9
291.13806	1.9
291.17462	3.7
292.14719	0.9
292.17972	1.3
293.15363	2.4
293.18988	6.3
294.19531	1.2
297.14899	1.0
297.18411	0.7
299.14502	0.8
301.15665	0.9
303.17386	2.4
304.18219	1.4
305.18890	0.8
307.16904	0.8
309.14819	1.8
309.18304	0.9
310.15714	0.9
311.16354	2.2
311.20096	2.3
317.15292	1.2
319.16986	0.9
321.18469	4.5
327.15912	0.9
329.21393	0.7
331.17130	0.8
335.16190	0.7
337.17856	3.0
338.18362	1.3
339.19620	6.1
349.17984	2.5
350.18570	1.4
357.20914	3.0
363.15567	0.7
367.18973	6.8
367.22879	1.2
368.19553	1.0
373.21481	0.9
377.21240	1.0
383.19739	0.9
385.20200	4.0
391.22787	3.8
401.21301	4.0
403.22833	0.9
409.23764	4.2
411.19196	0.9
419.22281	10.4
420.22406	1.2
423.21799	1.2
429.20764	3.8
437.23257	11.4
438.23343	1.0
447.15863	1.2
447.21701	14.2
448.22208	0.8
455.24182	2.5
465.22739	55.5
466.23074	5.8
483.23712	18.1
484.24335	1.1
499.23535	1.1
543.25049	1.3
543.33307	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	16.2
55.01877	13.7
55.05502	28.1
57.03444	10.4
65.03959	10.4
67.05508	54.3
69.03400	34.7
69.07096	16.7
69.17057	7.7
69.17352	18.9
69.17757	32.4
73.02921	11.8
79.05483	39.5
81.03423	13.3
81.07078	32.3
83.04979	66.1
85.02903	8.5
85.06551	7.5
91.05490	50.5
93.07055	50.2
95.04968	31.0
95.08620	53.2
97.02914	18.8
97.06523	14.1
98.22647	12.3
103.05459	9.8
104.85139	6.0
105.07022	73.0
107.04943	11.9
107.08585	60.7
109.02865	7.0
109.06538	32.0
109.10207	9.5
111.04431	38.9
111.08087	20.5
117.07035	20.6
119.04942	9.5
119.08569	68.7
121.06533	31.5
121.10167	17.5
123.08083	31.0
125.06007	9.7
128.06201	12.3
129.06999	21.5
130.07919	6.7
131.04938	6.9
131.08559	51.1
133.06520	12.0
133.10147	44.4
135.08063	27.5
135.11703	23.3
137.05978	29.2
139.07607	8.0
141.06998	7.5
142.07767	14.9
143.08566	47.9
144.09235	5.9
145.04880	7.0
145.06461	15.9
145.10114	68.7
146.10860	7.9
147.08061	29.0
147.11684	38.7
149.05972	14.2
149.09644	22.8
151.07561	11.1
153.06908	8.0
154.07767	7.8
155.08582	20.2
156.09361	29.3
157.10129	44.9
158.23535	7.1
159.08067	48.1
159.11690	30.8
161.06038	10.1
161.09639	20.6
161.13260	7.5
163.07524	9.9
165.05713	7.3
165.07011	7.9
165.09187	10.7
167.07118	10.9
169.10127	18.5
170.10881	14.1
171.08025	17.6
171.11694	95.4
172.08786	17.3
172.12285	10.7
173.09593	36.5
173.13281	17.1
175.07550	18.5
175.11215	19.1
177.09103	15.4
179.07033	9.9
179.08574	14.0
181.10149	18.7
183.07991	7.1
183.11719	19.5
185.09651	24.2
185.13158	14.2
187.07619	8.4
187.11188	20.6
189.09239	9.8
189.12955	6.2
192.09311	8.5
193.08562	9.9
193.10202	7.7
194.10861	14.4
195.11676	13.7
197.09625	18.4
197.13278	13.5
198.10298	10.8
199.11230	19.2
199.14824	57.4
201.12683	45.9
201.16411	7.6
203.07033	9.8
203.10771	9.6
205.10172	9.6
207.09967	10.2
207.11754	16.9
208.12469	7.2
209.13252	28.5
211.11220	14.1
212.12143	16.6
213.12753	13.6
215.14365	8.6
221.07941	7.5
223.11235	13.7
225.12798	11.1
227.14297	100.0
237.09048	8.1
241.15919	12.7
245.15327	77.0
247.17505	5.6
249.12762	7.8
251.14375	8.6
253.12437	7.5
255.13884	11.7
259.14700	7.2
269.15417	20.6
279.09045	6.9
279.13885	7.5
281.10217	13.2
287.16537	12.6
319.76797	6.7
343.29236	7.1
399.46753	6.7
419.22180	9.8
421.23737	7.7
435.25787	8.3
444.22495	10.4
458.23822	8.1
461.22922	13.1
462.23248	8.9
463.24927	16.1
471.21719	8.7
473.23206	9.4
476.25259	18.2
479.24402	14.5
480.24255	8.0
481.26065	14.3
489.22574	9.0
507.23660	22.2
525.24548	19.1
543.25769	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	22.8
55.01870	28.6
55.05513	57.1
57.03444	49.7
61.02906	15.5
62.46491	8.3
65.03959	7.8
67.05497	69.6
69.03440	27.3
69.07066	18.5
71.05008	12.3
71.29241	13.4
73.02930	12.8
76.63617	9.1
79.05499	65.0
81.03421	100.0
81.07048	77.4
83.04978	68.2
83.08624	20.7
85.02917	16.8
91.05480	90.4
93.07043	90.7
93.90359	7.7
95.04966	60.9
95.08604	81.7
97.02908	13.5
97.06560	18.4
97.10159	14.1
97.19952	7.1
99.04457	12.0
100.42085	7.3
105.04482	9.4
105.07037	75.6
107.04961	40.5
107.08590	40.1
109.02879	10.5
109.06520	23.7
109.10172	21.8
111.04433	54.3
111.08088	26.8
113.06013	7.8
115.05476	14.6
116.04732	13.8
117.07053	36.2
117.83833	7.9
119.04916	14.1
119.08569	39.5
121.06487	52.9
121.10164	33.0
122.07312	33.7
123.04498	10.1
123.08085	39.9
128.06233	27.3
129.05515	43.1
129.07019	36.0
131.05002	12.2
131.08571	48.9
133.06512	27.3
133.10150	31.4
135.04437	11.8
135.08072	32.0
135.11711	12.4
137.06021	25.7
139.07451	9.5
141.06972	24.6
142.07751	20.0
143.07062	16.2
143.08562	53.0
145.06500	27.9
145.10133	38.2
147.04480	9.1
147.08060	45.1
147.11691	22.0
149.05974	15.5
149.09592	21.2
151.07549	10.8
153.06961	14.8
155.08566	35.2
156.09335	13.4
157.06517	14.4
157.08650	21.1
157.10144	39.9
158.07257	9.3
159.08054	35.2
159.11671	20.9
161.09677	30.8
163.11191	19.1
165.07014	19.1
167.08575	20.1
167.79677	8.1
169.06496	9.2
169.08784	8.9
169.10178	24.2
171.08095	34.1
171.11723	25.5
173.09656	28.8
174.95416	8.7
175.07576	23.1
175.11208	19.2
178.07808	9.4
179.08539	19.8
180.09268	12.0
181.10135	23.6
183.08150	11.6
183.11702	24.1
185.09662	20.2
187.07588	14.6
187.11205	13.4
189.09158	25.5
191.10712	10.9
193.10312	14.7
193.12256	23.5
195.08022	9.6
195.11687	18.3
197.09641	20.1
197.13312	13.8
199.07593	12.8
199.11180	18.6
203.08694	10.7
203.10672	9.9
206.10968	11.4
207.11757	12.8
209.09665	18.0
209.13358	17.1
211.11221	14.0
211.13200	9.4
213.12669	16.3
217.10278	9.8
219.11804	10.5
222.10423	9.1
223.11198	23.0
224.11932	12.2
225.12766	23.0
227.14352	14.9
230.10974	9.6
231.11870	13.6
233.09840	11.6
233.13268	14.2
233.15404	9.7
235.11183	14.2
237.12810	23.0
241.12329	11.2
244.12553	9.3
245.09622	13.8
245.13263	17.0
247.11227	10.8
249.12729	15.1
251.14644	9.2
260.11911	9.0
261.12723	18.7
263.10526	10.9
263.14334	18.6
265.12170	15.5
267.15948	32.3
273.12482	14.4
275.14355	9.7
277.12057	14.3
293.15436	12.6
301.12418	8.3
301.16397	24.1
303.13809	17.3
309.14694	12.3
321.14792	9.3
327.15820	11.7
339.16037	18.3
369.17050	46.5
381.22812	8.4
425.21234	12.6
441.20026	11.1
443.21851	12.1
459.21432	15.6
461.22961	12.1
471.21381	10.3
473.23700	8.5
489.22391	24.6
491.24005	18.0
507.23447	16.0
543.31708	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.7
55.01865	17.6
55.05507	21.9
56.51835	5.5
57.03436	7.9
57.50574	5.4
61.90280	5.5
65.03943	7.8
67.05498	28.9
69.03433	24.2
69.07067	12.5
70.06597	16.3
71.09276	10.0
73.42725	5.4
79.05479	45.3
81.03400	6.4
81.07055	83.7
83.04965	28.0
83.08602	7.0
85.02924	11.4
87.22398	6.1
91.05480	55.3
93.07045	55.7
95.01359	6.3
95.04973	27.6
95.08596	42.1
97.02905	10.8
97.06535	13.6
105.07029	56.7
107.04923	13.7
107.08593	39.1
109.02916	24.8
109.06501	47.9
109.10165	17.5
111.04443	47.4
111.08075	9.1
115.05450	10.2
117.07024	16.2
119.08572	46.7
121.06525	33.0
121.10156	28.3
123.04487	10.6
123.08070	28.4
123.11710	13.5
125.06015	16.3
125.09683	7.3
127.03915	8.3
128.06227	26.1
129.07031	23.1
131.04929	7.8
131.08557	34.2
133.06479	26.9
133.10144	26.8
135.04395	8.0
135.08031	48.8
135.11688	8.4
137.05962	89.5
137.09547	9.2
139.07552	12.5
141.06953	10.9
142.07825	11.6
143.08574	45.1
145.06477	9.8
145.10092	31.9
147.08066	26.9
147.11729	18.8
149.06000	13.0
149.09616	17.6
151.07584	15.7
152.57346	6.6
153.05389	9.7
155.08559	28.6
156.09355	11.9
157.06514	9.7
157.10143	50.3
159.08028	40.7
159.11658	30.7
161.05977	15.8
161.09650	18.3
163.07593	11.9
165.05557	10.6
165.06934	9.7
165.09169	8.2
167.07031	8.8
167.08553	13.5
169.10124	34.2
170.07225	6.8
171.08076	27.4
171.11687	20.8
173.09613	36.8
173.13261	9.2
175.07542	34.8
175.11241	11.9
177.09135	28.5
179.08557	17.1
180.09398	6.0
181.10143	15.0
183.08109	13.3
183.11702	19.4
185.09631	25.0
185.13182	6.5
187.07542	10.9
187.11140	30.2
189.09135	22.4
191.10706	9.7
192.09372	9.7
193.08531	7.0
193.10161	16.3
195.08078	13.0
195.11794	15.0
196.08925	11.5
197.09616	14.4
197.13235	17.8
199.07607	10.3
199.11166	20.7
201.09119	22.3
201.12796	12.6
203.08662	9.3
206.10912	6.9
207.07936	10.4
207.11765	10.7
209.09668	13.9
209.13217	11.7
210.10359	13.1
211.07599	11.5
211.11224	19.3
211.14964	6.4
213.12778	19.8
215.10721	16.4
216.09381	6.7
217.08611	27.3
221.13324	11.3
223.11261	15.3
224.11975	9.2
225.09213	12.7
225.12790	16.4
227.10605	12.3
227.14293	14.3
229.12213	6.7
231.11839	8.1
233.09596	11.7
235.11310	12.1
237.09038	8.7
237.12755	15.8
239.10640	15.0
239.17952	8.4
241.12343	7.4
247.11220	8.4
249.12494	11.6
251.10838	12.1
253.12236	10.5
255.13895	7.2
257.11655	13.4
258.13983	7.0
259.14862	8.0
261.12680	10.9
263.10608	7.5
263.14215	9.4
265.12256	14.9
267.13925	8.7
269.11917	7.4
270.77011	7.5
271.14182	6.3
277.12305	10.9
279.17651	9.4
283.20496	14.4
288.14978	8.7
289.15552	6.8
303.13898	8.7
305.15335	7.1
305.18774	10.3
315.17188	10.6
333.07861	6.7
333.18515	8.7
347.22141	23.8
349.17944	18.9
351.19574	21.8
359.61130	6.5
361.17856	17.8
363.19547	12.4
373.18008	7.6
375.15607	8.5
377.17526	12.1
379.18906	49.1
391.18875	11.0
395.18677	15.3
397.20050	25.4
409.20352	18.8
409.25665	7.9
415.22784	11.9
425.20837	14.7
427.21475	8.1
429.20740	11.9
433.23883	8.0
443.21985	26.9
453.20676	16.8
461.23184	35.9
471.21762	40.8
479.24625	9.6
489.22632	66.1
507.23706	32.7
508.23419	10.5
525.24371	17.2
543.23273	43.7
543.31256	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	7.1
55.01874	4.6
55.04720	2.7
55.05545	3.5
57.03435	5.0
65.03927	3.5
67.05516	9.0
69.03431	15.3
69.07080	4.6
69.12750	22.3
71.05000	11.1
71.84184	3.1
77.03948	2.7
77.86505	2.4
79.05492	20.2
80.83923	2.6
81.07059	89.3
83.05021	3.1
85.02915	13.2
91.05468	18.4
93.07063	11.4
95.04966	5.6
95.08619	10.3
97.06515	2.9
105.07047	24.1
106.00568	3.1
107.08599	19.7
109.06526	28.6
109.10182	3.8
110.06937	3.5
111.04457	3.2
111.08075	3.4
115.05474	3.8
117.07006	12.8
117.27602	3.0
119.04962	4.9
119.08584	19.5
120.57587	3.0
121.06520	12.1
121.10148	7.3
122.07273	3.0
123.08088	6.4
123.11719	4.9
128.06250	7.4
129.05521	4.2
129.07050	12.2
131.04929	3.5
131.08586	12.0
133.06517	8.7
133.10133	20.1
135.04500	4.0
135.08015	13.0
135.79033	2.6
137.02382	5.1
137.05977	100.0
138.06253	3.7
139.07512	3.3
141.06993	4.4
142.07797	6.5
143.08569	14.6
145.06424	14.1
145.10152	11.7
147.08089	13.3
147.11703	4.5
149.06000	7.3
149.09613	3.4
151.07559	4.0
153.07091	3.0
155.08580	13.7
157.06577	4.6
157.10155	12.0
158.07292	3.5
159.08092	15.0
159.11711	7.2
161.06105	3.1
161.09619	43.4
162.10115	3.5
163.07556	5.9
163.11182	3.8
165.05734	3.1
165.07024	6.2
167.07248	3.0
167.08560	4.2
169.06578	3.2
169.10141	6.9
171.08069	8.9
171.11749	6.9
172.08890	6.0
173.09624	16.4
175.07599	8.5
175.11237	7.5
175.14818	7.8
179.07048	5.7
179.08611	7.7
181.06343	3.0
181.10124	9.1
183.07977	6.7
183.11781	3.3
184.08762	2.8
185.09641	12.6
187.07607	4.2
187.11169	6.9
188.08366	3.8
189.09160	15.7
189.12814	3.5
189.16393	5.0
191.07082	5.6
193.10187	7.3
195.08069	3.4
195.11723	8.2
197.09645	10.5
197.13367	3.7
199.11201	7.9
199.14650	2.8
201.09164	6.2
203.06975	4.2
203.10722	7.2
204.09392	4.2
205.08632	3.0
207.11720	4.0
209.09586	5.1
211.11229	10.5
213.09146	6.4
213.12837	8.6
215.10591	3.8
217.08591	6.7
217.15947	12.1
219.10098	3.3
222.10559	4.6
223.11227	11.8
225.12794	9.8
227.10710	5.2
227.14546	3.2
231.10173	16.1
235.11218	3.7
235.14560	6.0
235.16930	96.3
236.17351	4.6
237.12820	7.7
239.10829	3.8
241.08577	3.2
241.12357	6.1
243.13966	4.0
250.15874	3.1
255.13988	3.6
265.12247	5.2
267.13712	4.9
269.11813	4.2
271.13367	5.3
277.12222	4.4
335.70544	2.9
391.19116	9.4
393.21158	4.2
403.18985	13.8
405.20471	3.7
407.18430	4.6
415.19049	5.3
417.16812	3.7
419.18457	3.3
421.20221	7.6
422.20670	3.2
431.18564	12.1
433.20038	8.3
435.18060	8.8
437.19733	9.8
443.18533	4.4
449.19760	19.4
453.19229	10.1
461.19070	6.3
467.20554	6.3
479.20706	10.5
483.20358	5.1
489.18759	4.5
497.21609	11.5
499.23352	4.4
507.20090	10.0
522.99481	3.5
523.73016	4.0
525.21460	10.2
543.22186	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60760	0.3
67.05486	0.3
69.90089	0.2
70.57482	0.6
79.05490	0.4
81.07037	0.3
83.04986	0.3
93.07063	0.2
95.08665	0.3
103.72050	0.2
105.07027	0.5
109.06494	0.3
111.41467	0.2
119.08570	0.3
121.10126	0.2
147.08112	0.3
151.74503	0.2
157.10229	0.3
163.28555	0.2
185.04329	0.3
203.05293	1.6
363.25058	2.4
381.25949	4.5
382.26312	0.3
423.26672	1.0
456.64316	0.3
507.24124	0.3
513.30273	1.3
543.31384	100.0
544.31726	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.4
51.02370	0.5
53.03944	2.4
55.01872	3.3
55.05511	12.1
57.03437	2.5
57.07071	1.3
59.04985	0.3
63.34680	0.2
65.03936	2.5
67.05504	33.2
68.05826	0.3
69.03420	1.5
69.07067	9.6
71.05003	2.5
71.05378	0.4
73.02900	0.8
77.03928	1.1
78.04674	0.3
79.05492	43.0
80.05819	0.6
80.06238	0.2
81.03419	2.1
81.07056	32.1
82.07389	0.6
83.04981	3.8
83.08617	7.9
84.10300	0.2
85.06544	0.9
91.05480	19.9
93.07043	52.0
94.07367	1.1
95.04967	8.2
95.08604	41.3
96.08929	0.8
97.02894	3.0
97.06526	3.3
97.10167	1.4
98.22977	1.7
98.42580	0.2
99.04456	3.3
99.08132	0.7
103.05454	1.0
104.52007	0.3
105.04507	1.1
105.07032	14.6
107.04955	6.1
107.08591	32.4
108.08921	0.3
109.06522	1.9
109.09432	0.5
109.10149	6.7
111.04436	1.0
111.08081	1.6
113.06001	0.6
113.09652	0.6
115.05439	1.1
116.06240	0.3
117.07012	11.6
118.07335	0.3
119.06071	0.3
119.08579	12.9
121.06513	4.5
121.10141	19.2
122.10494	0.4
123.08055	0.6
123.11722	1.2
125.05987	2.8
125.09640	0.7
127.07550	0.3
128.06224	0.3
129.06993	0.8
130.07793	2.1
131.08571	4.9
133.10129	6.0
135.08095	2.2
135.11691	43.2
136.12033	1.1
137.09598	0.4
137.13237	0.5
139.07576	1.4
139.11221	0.6
143.08553	1.4
145.06454	0.5
145.10120	24.4
146.10492	1.1
147.11682	2.6
148.08879	0.3
149.09634	0.5
149.13266	2.9
153.12762	0.9
157.10114	0.3
159.11702	3.1
161.09648	0.3
161.13232	2.3
163.11179	56.6
163.14746	1.6
164.11578	1.3
167.07066	0.4
171.11653	0.5
173.09636	0.4
173.13248	2.7
175.14883	0.9
177.16513	0.3
181.12224	13.8
182.12518	0.3
187.14833	1.3
189.16396	0.3
191.10689	0.4
195.47539	0.2
201.16328	0.6
209.11615	1.7
227.12770	100.0
228.13116	3.3
233.22676	0.5
243.21042	2.1
261.22141	7.9
262.22589	0.4
283.15332	0.7
299.23712	0.4
317.24756	2.1
319.16513	0.3
451.32297	0.5
469.33087	0.7
525.35986	0.7
543.36798	36.9
544.37207	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
54.14948	0.7
55.01868	2.7
55.05513	17.3
57.03443	3.8
59.04986	0.9
65.03912	1.6
67.05507	25.5
69.03430	1.5
69.07069	7.5
71.04977	2.1
73.52041	0.6
75.99502	0.8
79.05063	1.3
79.05502	18.3
79.05964	1.0
81.03426	5.9
81.07064	20.3
82.07374	0.6
83.04984	4.7
83.08620	8.2
85.06556	1.8
91.05483	18.5
93.07045	15.9
95.04977	6.9
95.08609	15.6
97.06548	2.6
97.10184	8.1
99.08126	0.9
103.05469	0.9
103.88904	0.7
105.07032	17.9
107.04981	2.8
107.08598	10.5
109.06542	3.5
109.10178	8.3
111.08073	2.4
113.82780	0.7
115.05484	2.0
117.07029	9.6
119.08588	14.3
121.06523	3.1
121.10143	5.2
123.08105	2.7
123.11726	2.4
125.09634	6.2
127.07520	0.7
128.06262	2.9
129.07014	8.8
130.07716	0.9
131.08580	16.8
133.06551	1.3
133.10141	10.3
134.10426	0.9
134.36337	0.7
135.08081	3.9
135.11736	3.0
137.05984	0.7
137.09634	2.0
139.07570	0.8
141.07039	2.9
142.07788	2.9
142.64194	0.7
143.08591	10.7
144.09344	1.3
145.06496	2.9
145.10121	13.8
146.10500	0.9
147.08080	3.1
147.11693	8.8
149.09666	1.4
149.13351	1.6
153.07002	1.4
154.07813	1.6
155.08553	6.9
156.09334	2.1
157.06526	1.4
157.10135	12.7
157.32635	0.8
158.07271	0.8
159.08038	3.4
159.11693	9.6
161.09669	1.7
161.13225	3.5
163.11263	1.7
165.07024	1.1
165.12769	0.8
167.08617	2.6
168.09386	0.8
169.10146	6.3
171.08095	2.2
171.11678	7.5
173.09647	3.4
173.13243	6.6
175.09868	0.8
175.11241	1.5
175.14787	1.4
179.08580	1.7
181.10208	3.2
183.08063	1.3
183.11694	5.7
185.09729	2.4
185.13249	6.8
187.11249	3.6
187.13290	0.8
187.14896	2.7
189.09079	0.9
189.11235	2.8
189.12813	1.8
193.10126	1.0
193.12248	2.2
195.11690	4.0
197.09666	0.9
197.13298	4.4
199.11240	2.6
199.14844	4.6
201.12746	1.4
203.14243	0.8
207.11752	2.3
209.13271	3.6
211.11307	1.6
211.14911	2.9
213.12842	1.4
213.16368	1.1
219.11725	1.5
221.13303	2.4
223.11218	0.9
223.14864	1.3
225.12756	0.8
225.16374	1.1
227.12750	1.3
235.14912	1.4
241.19510	1.8
249.12729	1.1
253.19614	1.2
257.19101	1.4
259.20566	5.7
261.16315	1.2
267.16016	3.0
271.17230	1.0
279.17456	0.8
279.21292	0.7
283.20538	2.3
297.22147	2.1
299.23608	4.9
301.21652	1.1
321.22070	1.1
325.21609	1.3
333.24252	2.8
339.23206	1.2
353.24896	1.3
357.24176	1.2
401.24893	0.9
402.25281	1.7
405.31506	1.3
415.30090	1.7
423.32553	1.7
433.30991	6.8
443.25888	1.1
444.26501	0.9
451.31998	9.6
452.32422	0.9
461.26813	2.5
462.27267	2.7
469.33066	7.2
470.33521	1.0
507.34570	1.8
515.37445	2.0
525.35852	20.4
526.35968	1.3
543.36847	100.0
544.37244	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.1
51.47123	0.4
53.03939	3.8
53.14272	0.4
55.01868	4.4
55.05512	18.4
57.03436	3.0
57.07077	2.1
65.03937	2.6
67.05505	46.0
68.05845	0.5
69.03431	3.0
69.07066	13.4
71.04997	4.3
73.02913	1.4
77.03925	1.1
78.04670	0.6
79.05492	59.5
80.05809	0.7
81.03432	3.0
81.07056	43.0
82.07400	1.0
83.04986	3.9
83.08621	10.2
85.06542	1.3
91.05479	28.0
93.07043	76.3
94.07379	1.2
95.04967	11.8
95.05553	0.8
95.08605	56.1
96.08950	1.4
97.02889	4.2
97.06528	5.6
97.10127	2.0
99.04451	4.4
99.08105	0.9
102.45498	0.4
103.05473	1.5
105.04527	1.8
105.07029	21.1
107.04957	9.7
107.08593	48.7
108.08932	1.3
109.06527	3.0
109.10151	9.2
111.04455	1.5
111.08068	2.0
113.06001	0.9
113.09651	0.6
115.05444	1.9
117.07019	15.9
117.07836	0.9
119.08578	17.9
120.08921	0.4
121.06519	6.4
121.10139	23.0
122.10492	0.5
123.08043	0.7
123.11708	1.7
125.06002	3.5
127.07555	0.5
129.07008	1.7
130.07814	3.6
131.08562	8.6
133.10130	9.4
135.08110	2.5
135.11690	61.2
136.12029	2.0
137.09677	0.6
137.13278	0.5
139.07550	1.4
143.08568	2.3
145.06540	0.6
145.10121	34.8
146.10527	1.1
147.11691	4.1
149.13226	3.5
151.11247	0.5
153.12782	1.5
155.08603	0.6
157.10094	0.8
159.11679	4.0
161.13254	2.3
163.11180	63.6
163.14854	1.7
164.11536	1.9
167.06981	0.6
169.10072	0.4
171.11653	0.9
173.09656	0.8
173.13286	3.1
175.14893	0.7
181.12225	15.4
182.12517	0.5
183.11653	0.6
185.13277	0.6
187.14828	1.2
191.10779	0.5
197.13350	0.5
199.14906	0.5
201.16415	0.9
209.11783	1.6
222.21205	0.5
227.12770	100.0
228.13097	3.4
229.25958	0.4
243.21092	1.7
261.22144	8.2
261.24704	0.8
275.19943	0.5
299.23755	1.2
317.24677	2.0
451.32419	0.6
469.33365	0.7
503.46674	0.4
525.35559	1.1
543.36810	38.4
544.36993	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.6
51.02359	0.4
53.03946	2.1
55.01880	3.5
55.05513	17.7
57.03442	4.3
57.07069	1.9
59.04983	0.8
63.07102	0.4
65.03934	1.8
67.05505	26.7
68.05846	0.4
69.03442	2.0
69.06726	0.7
69.07073	8.9
71.04997	2.1
71.08601	0.6
79.05495	20.6
81.03419	8.0
81.07059	23.5
82.07419	0.5
83.04980	3.4
83.08614	8.9
85.02900	1.1
85.06538	1.9
91.05480	21.5
93.07046	17.8
95.04973	6.9
95.08605	13.7
97.06512	2.5
97.10175	9.7
98.22559	1.0
99.08083	0.7
103.05461	1.3
104.33125	0.4
105.04543	0.8
105.07034	21.6
107.04953	3.5
107.08592	11.9
107.09283	0.8
109.06528	2.6
109.10162	9.5
111.08091	2.2
113.09692	0.5
115.05443	2.0
117.07021	11.2
119.08580	15.9
121.06512	3.1
121.10141	6.3
123.08085	2.2
123.11705	2.7
125.09630	5.7
128.06252	2.9
129.07002	9.7
130.07784	1.3
130.49245	0.3
131.04916	0.6
131.08568	18.6
133.06491	1.7
133.10127	10.6
135.08075	2.4
135.11691	4.3
137.09647	1.0
141.06989	3.6
142.07799	3.1
143.08575	12.0
144.09312	0.7
145.06471	2.7
145.10127	13.7
147.08052	2.5
147.11696	7.4
149.09644	2.2
149.13290	2.2
151.11151	1.0
152.39221	0.5
152.56207	0.4
153.07027	0.9
153.09055	1.0
154.07811	0.8
155.08551	6.7
156.09306	0.8
157.06541	1.5
157.10139	10.9
158.07253	0.5
158.10991	0.5
159.08055	4.2
159.11699	11.5
161.09625	1.7
161.13266	4.2
163.11221	1.6
165.07030	0.6
167.08531	3.4
168.09431	1.1
168.85133	0.4
169.10152	7.2
170.10930	0.7
171.08075	2.1
171.11693	9.0
172.08818	0.5
173.09691	2.4
173.11824	0.6
173.13240	7.4
175.11122	2.5
175.14844	1.9
177.12889	0.5
179.08560	1.3
179.14314	1.2
181.10098	4.2
182.10973	0.7
183.11694	6.8
184.12251	0.4
185.09747	2.3
185.13242	6.4
187.11255	1.9
187.13339	0.5
187.14844	2.9
189.11224	2.8
189.12773	1.0
193.10153	1.3
193.12280	3.2
194.10915	0.7
195.11737	3.7
197.09637	1.0
197.13254	3.8
199.11221	1.1
199.14792	4.3
201.12871	1.7
201.16483	1.4
203.14540	0.5
205.15817	0.5
207.11714	1.3
209.13248	2.9
211.13132	1.0
211.14937	2.3
213.12901	0.7
213.16470	1.0
215.14397	1.0
221.13258	1.9
223.14848	2.0
225.16373	1.0
227.12590	2.5
227.18025	0.7
229.14180	1.0
233.13333	0.7
235.14896	1.0
239.17920	0.9
241.15782	0.6
241.19536	2.3
243.15936	0.8
255.17589	0.5
257.19049	1.1
259.20551	6.5
263.18127	0.6
265.19778	0.7
267.15784	4.3
269.22635	0.6
271.16986	0.7
271.20694	0.6
277.21692	1.0
281.19281	0.6
281.22543	0.7
283.20493	2.2
285.21878	0.7
297.18948	0.9
297.22217	2.2
299.20367	0.8
299.23657	5.8
301.21603	1.2
309.21948	0.5
311.20135	0.8
311.23630	0.5
313.21814	1.1
315.23282	1.6
321.22009	0.7
323.23828	0.9
325.21506	1.2
333.24512	2.2
339.23297	1.3
342.21939	0.5
343.22720	0.7
345.24786	0.5
349.25314	0.6
353.24945	1.1
357.24246	1.2
371.26089	0.6
405.31458	1.3
415.30069	2.7
423.32669	2.0
433.31055	7.7
434.31512	0.6
451.32004	10.3
452.32370	0.9
469.33246	5.1
471.32227	0.7
487.34219	1.2
489.33603	0.7
507.34634	2.0
515.37195	2.6
525.35785	19.2
526.36151	1.4
543.19971	2.5
543.36823	100.0
544.37091	10.2
558.47534	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.7
52.77659	0.7
53.03942	2.9
55.01869	3.1
55.05510	16.7
57.03443	4.9
57.07081	1.5
59.04997	1.0
65.03944	1.2
67.05505	27.9
69.03418	1.6
69.07065	9.7
69.07487	5.7
70.32898	0.7
71.04990	2.2
71.09895	0.8
79.05491	17.5
81.03426	6.3
81.07058	24.5
83.04986	2.7
83.08620	8.6
85.06571	1.2
91.05478	19.8
93.07043	18.1
94.24178	0.7
95.04984	7.4
95.08609	12.8
97.06551	2.0
97.10178	9.2
99.08113	0.8
105.07027	17.5
107.04969	3.7
107.07874	0.9
107.08597	11.9
109.06500	2.1
109.10156	8.3
111.08094	3.1
112.93697	0.8
115.05479	2.0
117.07021	10.7
119.08583	12.9
121.06509	2.8
121.10145	5.8
123.08093	1.5
123.11709	2.3
125.09629	6.3
128.06224	3.2
129.07013	8.9
130.07796	0.8
130.69176	0.8
131.08569	15.2
133.06503	1.5
133.10130	9.0
135.08063	2.6
135.11691	3.8
137.09641	1.2
141.06952	3.7
142.07808	1.9
143.08566	11.1
144.09296	1.0
145.06496	3.7
145.10118	13.0
147.08043	1.7
147.11668	5.8
149.09650	2.5
149.13248	1.4
154.07733	1.2
155.08575	6.8
156.09308	1.8
157.06485	1.6
157.10124	9.8
159.08070	2.7
159.11685	11.0
161.09692	1.9
161.13240	3.5
163.11172	1.6
165.07033	1.2
165.12941	0.9
167.08565	2.6
169.10114	7.0
171.08009	1.6
171.11674	7.1
173.09651	2.3
173.13255	5.6
175.11220	2.2
175.14864	1.4
177.12811	0.9
179.08530	1.0
181.10136	4.0
183.11673	6.6
185.09608	2.4
185.13229	6.0
187.11218	3.1
187.13312	0.8
187.14900	2.9
189.11243	2.1
193.10210	1.4
193.12227	1.7
195.11720	3.1
197.13196	4.8
199.11261	1.9
199.14856	3.3
201.12773	1.4
201.16425	1.2
201.41313	0.8
207.11678	1.3
209.13271	3.5
211.14877	1.6
213.12971	1.2
213.16469	1.4
215.14485	0.8
221.13289	1.8
222.13928	0.8
223.14853	2.0
225.12766	0.9
225.16319	1.3
227.12756	2.7
235.14767	1.5
237.12828	1.0
237.16441	0.9
239.17986	0.8
241.19589	2.3
243.15988	0.9
247.16867	1.3
257.18896	1.0
259.18143	0.8
259.20514	4.0
263.17938	0.9
267.15878	4.4
271.20676	1.0
277.21680	0.9
281.22681	0.9
283.20529	2.1
295.20688	0.8
297.22260	2.5
299.23593	4.8
300.19986	0.9
301.21564	1.7
315.23215	1.7
321.21985	0.9
325.21637	1.5
333.24155	1.6
339.23193	1.5
353.24683	1.1
357.24261	1.3
405.31723	1.0
415.29761	1.1
423.32602	2.4
433.30954	6.8
451.32068	8.6
452.32611	1.3
469.33282	6.3
471.32220	0.9
500.38403	0.9
507.34644	1.4
515.37433	2.9
525.35712	20.7
526.35828	1.8
543.36798	100.0
544.37061	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01860	1.5
65.03936	1.5
69.03436	1.4
71.30496	2.1
79.05470	2.1
81.03381	1.3
85.02915	5.9
85.78381	1.1
91.05482	9.6
94.04202	2.8
95.04970	4.4
97.02903	1.9
102.04684	4.9
103.05460	6.2
105.07033	8.7
107.04932	3.1
111.04453	1.7
119.04931	10.5
121.06499	17.1
122.03651	4.7
123.04431	2.2
127.03844	1.2
130.04166	7.4
131.04936	4.4
131.09259	1.1
133.06497	8.6
134.03645	2.9
135.04382	7.8
137.05974	100.0
138.06274	2.1
144.08090	1.9
147.04404	22.7
149.05998	17.8
150.06754	12.3
151.03918	12.6
151.05029	2.1
151.07515	3.2
153.06985	3.2
161.05977	30.5
162.06769	40.8
163.03908	3.4
163.07584	6.6
163.08702	1.3
165.05542	1.3
169.05057	1.3
175.03987	3.0
177.05501	3.6
178.02673	4.7
179.07027	5.9
181.05025	2.2
181.06540	3.3
193.04974	16.9
195.08389	1.2
198.06827	1.6
205.04924	1.3
209.05943	1.5
211.07524	2.5
213.09123	2.1
214.83191	1.4
223.06038	3.7
256.07275	1.6
267.06601	1.7
297.07587	23.6
299.09119	20.9
311.09103	1.3
317.10162	17.6
329.10168	30.0
347.11316	3.5
544.17017	4.1
545.17499	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57481	2.8
59.60277	3.4
69.96823	8.8
73.02907	3.4
79.05521	4.8
82.73770	3.7
84.93254	3.5
86.09702	4.9
91.05481	9.8
95.04983	3.8
102.04686	3.5
103.05473	14.1
105.07040	8.9
107.04944	5.1
110.07181	3.6
119.04946	14.8
121.06525	14.1
122.03661	6.7
123.04402	4.8
130.04158	5.9
131.04948	15.7
133.06485	10.2
134.03629	3.8
135.04453	4.1
137.05980	100.0
147.04430	21.7
149.05960	18.8
150.06743	10.5
151.03899	13.2
151.07556	9.0
161.05937	26.5
162.06772	38.1
163.03903	4.6
163.07562	29.9
169.04868	3.2
175.03973	3.6
178.02544	4.0
179.07034	9.1
179.26959	3.0
181.04996	3.9
181.08603	9.6
193.04984	13.8
199.10994	3.3
213.05583	3.1
297.07605	20.9
299.09027	21.1
301.10538	3.3
317.10275	12.4
329.10175	24.3
423.36093	3.3
544.17358	6.1
554.64569	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23768	1.6
65.03953	2.4
68.38703	1.8
69.03432	1.9
71.32737	2.6
79.45747	1.6
80.06259	1.4
85.02923	3.2
89.13580	1.8
91.05478	12.8
93.03416	1.8
93.07039	2.3
94.04188	2.9
95.04988	4.7
97.02884	1.6
98.97565	2.3
102.04684	5.7
103.05487	6.1
105.07051	10.8
119.04939	12.8
121.02879	2.9
121.06509	17.2
122.03662	4.1
123.04482	2.0
128.98625	1.7
130.04170	6.0
131.04994	8.2
133.06509	6.1
134.03668	3.5
135.04436	7.6
137.05981	100.0
138.06430	2.6
143.06059	2.0
147.04408	28.8
149.05972	18.0
150.06747	14.0
151.03908	18.0
151.07500	3.9
153.07043	1.8
161.05971	30.8
161.07201	2.7
162.06766	49.2
163.03874	2.9
163.07487	10.2
165.05626	2.3
165.06992	3.1
177.05551	2.0
178.02681	5.2
179.07063	6.8
181.05020	2.6
181.06540	2.4
193.04987	19.2
211.07500	3.8
231.53801	1.8
237.02744	2.3
273.11322	2.1
293.76187	1.6
297.07605	27.3
299.09137	26.1
311.09311	3.2
317.10184	20.6
329.10202	35.6
330.10483	2.5
339.07584	4.1
347.11133	4.8
357.08575	4.8
485.13385	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99104	1.2
61.02909	1.6
63.27096	1.3
66.54123	1.5
67.05492	1.4
69.03427	3.9
69.26312	4.4
69.26721	4.9
73.02896	2.1
81.03368	1.7
85.02913	9.5
88.92972	1.2
91.05484	5.5
91.32685	1.2
97.02924	2.1
102.04721	1.4
103.05457	27.7
104.05755	1.4
105.07000	3.1
109.10132	2.2
119.04951	2.6
119.08604	1.7
121.06496	3.3
123.04427	3.3
124.85133	1.3
127.03926	1.7
129.06985	1.6
131.04918	100.0
132.05225	3.9
133.02841	2.8
133.06503	2.3
137.05978	28.4
137.09535	3.0
147.04401	28.1
147.08035	4.6
149.05968	4.8
151.07545	8.0
161.05952	4.4
162.06773	4.7
163.07539	86.6
163.38843	1.3
164.07910	4.5
165.09128	2.1
175.07539	20.0
177.05496	1.3
179.07007	2.7
193.08611	29.0
193.10225	2.7
201.11322	2.3
202.11488	1.7
205.08723	1.9
261.62408	1.4
263.87311	1.4
271.09628	3.8
281.11423	1.8
299.12793	4.9
317.13773	15.8
329.13867	2.2
383.12851	2.2
544.24432	23.5
545.25580	13.9
558.34564	1.7
563.38727	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.0
55.01874	1.5
57.03416	1.4
61.23309	1.1
61.73676	1.1
69.03429	8.9
71.31727	2.3
79.05499	8.7
81.07060	59.9
91.05487	4.5
93.07037	2.0
95.04955	1.7
95.08601	1.8
97.02921	2.2
97.06485	1.4
105.07025	3.6
107.08591	2.3
109.06525	21.3
111.04473	1.7
111.08133	2.1
117.06998	2.0
119.08549	1.6
128.06258	2.1
129.06975	4.1
131.08568	3.8
135.04424	1.6
135.08061	3.1
137.05983	75.5
138.06322	2.1
139.07570	1.4
141.06946	2.8
143.08553	3.1
145.10161	3.5
147.11623	1.3
149.06009	1.7
155.07178	1.7
155.08546	4.8
159.08052	5.3
159.11636	1.7
161.09688	1.8
165.05511	2.5
165.07001	1.6
167.04716	1.8
167.08545	3.5
169.10121	4.0
171.08061	2.2
171.11716	1.8
172.08919	2.7
173.09622	2.9
175.07550	3.6
179.08594	2.2
181.10120	3.1
183.08022	1.9
183.11617	2.1
185.09622	2.8
186.10350	1.8
187.11102	6.5
193.10280	3.1
195.08075	5.7
195.11700	3.8
196.08771	3.0
197.09619	4.9
199.11186	3.8
203.06943	2.8
203.10817	1.7
204.09296	1.3
205.10138	1.8
206.10954	1.6
207.08080	1.7
207.11736	2.2
208.08881	1.9
209.09627	5.9
209.13208	1.9
210.10339	2.3
211.07523	2.4
211.11209	3.2
219.08093	4.1
219.11711	3.2
221.09671	2.0
222.10403	2.2
223.07556	1.6
223.11139	9.4
225.09120	2.0
225.12717	2.3
226.09727	1.5
227.10674	2.4
230.79544	1.6
231.11746	1.8
232.09007	1.6
233.09595	5.4
235.11179	3.2
236.08348	1.6
237.09114	3.2
237.12715	6.6
238.13542	2.2
239.10707	1.8
239.14340	4.5
247.11259	7.1
248.11932	4.1
249.12755	5.1
250.09854	4.4
251.10687	10.5
261.12833	1.8
263.14410	1.9
264.11395	1.7
265.12247	16.6
266.13000	9.7
267.10880	2.0
267.13733	12.7
273.12653	1.5
275.10400	2.0
276.11487	1.5
277.12198	1.9
279.10040	2.4
281.15417	2.5
287.14282	2.0
293.11746	3.2
293.15164	1.8
294.12497	5.9
295.13232	2.1
297.10883	2.4
303.17255	1.5
308.13922	1.7
309.14832	3.6
315.13727	1.5
319.16772	1.6
326.15176	4.9
327.15948	13.2
333.14746	2.5
347.20270	1.5
355.15399	21.6
377.20755	2.5
385.17709	2.5
393.17023	1.9
403.19012	7.2
405.21106	2.5
413.17505	3.6
419.22287	1.5
421.20114	5.2
423.21686	4.8
431.18555	100.0
432.18842	6.6
435.17853	3.8
439.21521	2.0
445.19833	3.6
447.21780	7.2
449.19547	7.2
453.19147	4.3
463.21161	26.0
465.22729	7.9
467.20718	34.8
468.20773	4.0
473.19443	10.7
481.22049	8.5
483.23740	23.7
484.23996	1.7
491.20621	34.1
492.21054	3.1
509.21725	28.4
510.22058	1.9
527.22937	7.9
528.22351	1.6
544.25330	9.6
545.25659	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75955	1.1
53.03934	1.6
63.21928	1.1
68.34838	1.1
69.03423	7.6
69.08242	9.3
75.13651	1.0
79.05497	10.8
81.07056	74.1
82.07397	1.8
83.04973	1.0
87.03409	1.4
91.05480	4.1
93.07031	1.5
94.98615	1.1
95.04976	1.4
101.68268	1.1
105.07047	2.4
107.04900	1.8
109.06522	24.2
111.04443	1.4
111.08085	2.4
121.06477	1.1
123.04469	1.3
123.08087	1.6
128.06218	1.4
129.07004	2.0
131.08492	1.8
137.05975	82.9
138.06305	2.3
138.96576	1.2
139.07567	1.8
141.07011	2.0
143.08612	3.2
145.10176	2.2
148.08313	1.2
149.05989	1.8
153.06940	1.3
155.07054	1.2
155.08562	2.6
156.33128	1.2
157.06485	2.2
159.08049	2.6
163.07541	1.3
165.05511	2.3
165.06943	2.3
167.08554	3.5
169.10152	3.1
171.08104	2.1
173.09616	1.9
175.07611	1.7
178.07678	1.4
179.08650	3.5
181.06448	2.3
181.10132	2.7
182.07230	1.2
183.08124	2.5
185.09569	1.1
187.07584	2.0
191.08531	2.1
193.08571	1.5
193.10152	2.7
195.08070	5.6
195.11742	2.8
196.08884	2.5
197.09657	6.3
199.11136	1.5
204.09415	1.7
205.10094	2.8
207.08000	2.6
207.11664	1.7
208.08875	2.8
209.09622	5.8
210.10236	1.4
211.11285	1.5
212.61481	1.2
213.12791	2.1
215.08614	1.7
216.09225	1.2
219.08084	2.9
219.11725	2.7
221.09721	2.3
221.13234	2.1
222.10335	2.4
223.07529	1.7
223.11157	13.6
225.09143	2.9
232.08885	1.6
233.09602	6.5
234.10364	2.7
235.11200	3.5
237.09059	5.8
237.12715	7.5
238.13557	2.0
239.10576	1.6
239.14313	4.5
241.12328	1.7
245.13246	1.4
247.11127	8.4
248.11980	3.4
249.09077	1.4
249.12744	4.4
250.09914	2.9
251.10692	11.8
252.11234	1.2
263.14337	2.8
264.11490	1.6
265.12265	20.9
266.13052	12.7
267.13739	13.4
275.10645	1.8
276.11444	1.8
277.12280	2.1
279.10165	4.1
279.13727	1.3
283.13437	1.3
285.11331	2.4
289.12433	1.2
290.12991	1.3
293.11737	2.2
294.12378	6.3
295.13287	3.1
303.13815	1.3
307.13553	1.3
308.13983	1.4
309.14935	5.0
325.14471	2.5
326.15134	3.9
327.16046	8.8
336.13690	1.3
353.13846	1.4
354.14612	2.9
355.15482	17.2
357.18698	1.5
367.17050	1.4
385.17654	2.7
403.19022	5.3
413.17429	7.3
429.20755	2.1
431.18533	100.0
432.18884	9.6
433.16125	1.5
445.20096	1.8
447.21915	8.2
449.19601	29.8
450.19836	2.7
455.18478	1.8
463.21176	9.5
467.20621	8.7
473.19458	15.8
474.19949	1.6
491.20584	49.1
492.20953	4.7
509.21741	21.6
510.21960	1.5
527.22675	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.1
55.05515	2.3
57.03445	1.7
67.05505	2.9
67.73738	1.0
69.03426	2.7
69.32323	7.9
79.05499	5.2
81.03442	4.5
81.07051	10.2
83.05002	1.9
83.08648	1.9
85.02930	2.3
91.05508	4.8
93.07050	2.8
95.04979	2.9
95.08610	3.1
97.06512	1.2
103.05496	1.5
105.07052	5.5
107.04943	7.9
107.08593	4.3
107.62924	1.4
108.05279	2.0
109.06506	6.2
111.08100	2.9
113.34406	1.5
117.07066	2.0
119.08587	2.9
121.06516	2.4
121.10167	1.6
123.04443	3.0
123.08076	2.5
129.07047	2.0
131.08597	5.0
133.06520	1.2
133.10193	2.3
135.08093	2.3
137.05983	9.9
139.07500	1.6
141.07077	1.5
142.07829	1.4
143.08565	3.2
145.06549	1.3
145.10107	2.4
147.08104	2.8
149.09636	2.7
155.08534	3.1
155.94301	1.1
157.10194	2.7
159.08054	2.3
159.11742	2.1
160.11269	1.3
161.09459	1.4
163.07616	4.2
163.11166	1.3
164.07982	1.5
167.03062	1.3
167.07147	1.2
167.08516	2.4
167.62500	1.3
169.10159	2.8
171.08112	1.5
171.11758	2.1
173.09657	3.2
175.07614	2.0
175.11229	1.9
178.09877	1.1
179.08607	2.1
181.10136	1.9
183.08025	1.8
183.11723	2.4
185.04364	1.5
185.09656	3.1
186.06508	2.6
187.07394	1.3
187.11244	3.4
189.09157	1.9
193.10170	1.7
193.12331	3.7
195.08099	2.0
197.09653	3.1
201.03804	1.5
201.09206	2.2
203.10706	1.4
207.08075	1.4
207.11705	1.4
209.09628	3.3
209.13290	1.3
211.11304	1.5
211.13301	3.4
213.09189	2.0
215.10643	2.4
219.11653	1.7
220.08850	1.2
221.13274	2.2
223.11281	1.9
225.09229	3.4
227.10625	2.3
233.09726	1.7
233.13332	2.3
235.14824	1.7
237.12657	3.0
246.10310	1.1
247.11363	2.3
249.12732	2.9
259.14859	2.1
261.12738	2.1
263.14398	2.0
265.12357	2.1
266.13132	1.2
267.13480	1.3
267.16003	3.8
272.11813	1.3
275.14417	1.4
277.15848	1.4
279.13980	1.9
285.16922	2.6
287.14063	1.4
291.13956	1.6
291.17233	1.9
293.15213	2.1
299.14935	1.8
301.15900	2.4
303.17410	1.7
305.11755	1.8
305.15396	2.6
319.13422	1.7
319.17065	2.4
329.15500	2.8
331.16919	1.5
333.18729	1.4
337.17862	2.5
347.16348	6.0
349.18036	2.8
363.19421	1.3
365.17490	3.8
375.15854	6.8
377.21036	2.1
387.19504	2.1
389.17471	2.4
391.19327	2.1
393.16910	24.6
393.21683	1.7
394.17606	1.5
395.22409	1.9
403.18927	2.7
405.20724	5.2
407.18597	4.2
421.20099	3.6
423.21585	6.1
435.18085	9.9
439.20804	1.5
449.19699	4.6
453.19116	100.0
454.19431	8.1
465.22729	2.6
467.20609	13.4
477.28455	1.4
481.22180	7.3
483.23788	34.5
484.24023	4.4
509.21686	37.7
509.28894	2.6
510.21759	3.7
527.22729	2.8
544.22266	37.8
545.22699	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80555	0.4
53.03938	0.6
55.01877	4.2
55.05505	1.7
57.03436	8.4
57.07065	0.6
59.04994	1.0
59.16541	0.4
61.02924	2.8
62.40131	0.4
65.03933	0.7
67.05505	2.1
67.48383	0.4
69.03426	9.2
69.07069	5.0
71.01337	1.1
71.04985	0.6
71.30632	0.5
73.02921	9.9
79.05492	5.5
81.03396	1.8
81.07055	17.7
83.04980	0.6
83.08552	0.4
85.02905	16.4
87.04462	1.5
91.03950	0.4
91.04961	0.6
91.05482	6.6
92.28716	0.4
93.07049	3.7
95.04951	0.8
95.08607	2.8
97.02890	10.1
97.06540	0.6
97.10174	0.7
99.04452	0.9
103.03957	1.0
105.07030	8.2
107.04939	0.7
107.08591	2.4
109.02847	0.8
109.06512	3.6
109.10146	3.5
111.04455	0.7
111.11693	0.5
115.03934	5.8
115.05370	0.5
117.06992	2.3
119.08588	4.1
121.10140	1.6
122.55120	0.4
123.04433	0.7
123.08068	0.5
123.11768	0.9
125.05981	0.9
127.03910	5.0
129.06982	0.9
130.07797	0.7
131.04926	0.5
131.08577	5.9
132.06584	0.8
133.04955	8.4
133.06494	0.6
133.10133	3.7
135.04381	2.0
135.08076	0.4
135.11659	1.0
137.05977	19.1
139.07535	0.5
143.08585	1.1
144.06462	0.5
145.04951	5.6
145.06500	1.0
145.10115	17.1
147.08028	0.5
147.11684	2.4
149.05969	4.6
149.09583	0.7
150.07674	0.6
151.07553	0.8
155.08556	1.0
157.10109	1.0
159.08046	1.0
159.11688	2.3
161.09547	0.7
162.07680	0.6
163.06166	0.9
163.07550	3.3
165.09122	1.3
169.10114	0.6
171.07993	0.6
171.11703	0.6
173.09627	3.3
173.13226	0.7
175.11195	0.5
177.09114	5.4
180.08687	0.5
183.11472	0.4
187.14809	7.4
189.09181	0.5
189.16400	1.0
191.10640	4.0
197.13281	0.6
203.10631	0.6
205.12280	0.7
205.15932	0.5
215.14339	7.3
215.64461	0.4
223.06015	0.7
233.15358	100.0
234.15730	2.8
241.07132	0.9
259.08258	0.4
281.62607	0.5
299.16406	0.5
373.16412	0.8
437.19479	0.5
439.60510	0.5
451.21375	1.1
485.21616	1.4
496.19720	0.5
499.23340	0.5
508.20129	0.6
527.23163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14373	13.3
53.03946	17.4
56.85915	15.4
67.05511	25.0
69.92625	67.9
79.05492	37.9
81.03436	21.7
81.07040	25.6
83.04959	21.8
91.05479	61.9
92.77748	15.8
93.07056	42.5
95.04934	31.9
95.08611	28.0
97.06531	17.4
105.07030	61.1
107.08612	39.6
109.06551	22.5
111.04432	17.3
117.07029	34.5
118.19270	16.0
119.08607	49.9
120.99856	17.5
121.06515	28.7
121.10145	31.2
129.07054	22.3
131.08580	48.1
133.06523	25.3
135.08081	36.5
141.06976	18.2
142.07770	33.3
143.08588	35.0
145.06540	26.3
145.10158	40.5
147.08023	35.9
147.11693	31.5
155.08562	18.6
157.10173	50.1
159.08084	37.3
159.11769	31.6
161.09578	39.6
163.07462	18.7
169.10117	39.8
171.07965	24.9
171.11649	18.1
173.09628	70.7
175.11156	33.2
179.08540	30.0
185.09584	26.8
187.11168	20.8
189.09265	17.5
193.10179	26.1
195.11580	26.3
197.09705	24.4
199.11203	20.0
207.11758	20.5
209.09804	26.5
209.13290	39.5
211.11169	41.1
217.08446	20.9
223.11078	48.7
227.10770	20.3
227.14246	20.9
233.09654	23.2
239.14272	20.4
259.52289	17.0
263.14420	21.6
288.94522	18.4
359.18549	17.5
427.22922	33.1
429.24338	32.4
438.63757	18.2
445.23819	44.5
447.25156	75.5
455.21881	22.4
463.24722	54.4
465.26236	39.1
473.23282	85.6
491.24457	100.0
509.25284	91.5
544.30139	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02599	11.7
53.05688	11.1
55.51569	12.2
57.97639	12.1
59.34811	11.5
61.21896	9.9
67.05511	15.5
68.06696	10.9
69.19020	94.2
70.14805	12.8
79.05480	17.0
81.07064	17.8
83.04977	25.2
91.05458	29.5
92.82640	11.5
93.07042	28.5
95.04977	27.6
95.08594	49.4
105.07014	40.8
107.08581	23.2
107.75468	13.0
117.07030	14.9
119.08562	30.1
121.06515	32.9
123.08100	14.1
125.96578	14.4
129.06990	24.1
131.08572	21.7
133.06386	15.8
133.10155	18.1
137.06013	13.6
143.08519	27.0
145.10104	28.3
147.08037	46.7
155.08504	21.1
157.10143	34.1
159.08115	15.0
161.09586	29.7
163.11127	18.2
169.10161	16.7
171.08075	16.7
173.09723	13.7
175.11099	17.4
179.08647	19.6
187.07571	16.2
187.11255	16.1
189.08983	13.7
193.10184	19.2
195.08029	13.2
195.11836	14.2
197.13380	15.2
207.11673	29.7
211.11201	16.3
213.09113	17.0
217.09991	15.6
223.11235	20.6
225.12714	29.3
232.12479	13.2
233.09622	24.4
233.15308	14.3
235.11116	13.8
237.12819	15.5
249.22668	12.2
257.12918	13.4
273.12683	17.0
291.13748	14.7
300.49594	13.1
333.14832	12.2
353.66046	12.2
427.22488	16.1
429.24146	23.1
443.21725	21.1
445.23666	17.4
447.25119	33.6
455.22159	22.9
461.23175	23.6
463.24741	74.8
473.23438	73.8
481.25986	15.6
485.30356	12.8
491.24493	100.0
492.24805	12.1
509.25104	51.6
541.29840	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.1
55.01870	8.8
55.05500	35.4
57.03426	15.6
67.05500	43.6
69.03420	13.1
69.07075	13.3
69.29844	28.6
69.30250	11.2
71.04976	5.8
79.05491	41.6
81.03416	100.0
81.07063	37.4
83.04988	46.7
83.08611	29.4
85.02901	20.8
85.96552	5.5
91.05465	71.1
93.07044	69.5
95.04968	52.2
95.08604	49.6
97.02843	6.0
97.06528	13.8
97.10204	8.9
98.23415	11.4
105.07037	65.9
107.04958	9.2
107.08585	31.9
109.06509	17.7
109.10156	11.8
111.04424	23.5
111.08074	27.7
113.75510	6.1
115.05421	9.4
117.06997	16.4
119.08577	81.8
121.06487	27.3
121.10139	23.8
123.08070	27.1
125.09675	10.9
128.06227	11.3
129.06995	19.2
131.04887	7.9
131.08568	49.1
133.06462	16.2
133.10136	51.8
135.08043	17.2
135.11687	7.3
137.06035	7.3
139.07538	19.3
141.07001	9.9
142.07794	13.3
143.08568	33.7
145.06488	16.0
145.10144	38.9
146.10341	6.7
147.08034	19.6
147.11713	21.3
149.09630	20.9
153.06924	6.1
155.08548	19.4
156.09329	10.6
157.10129	55.4
159.08012	15.6
159.11681	20.6
161.09608	19.1
163.07518	14.9
163.11182	9.4
167.07063	9.6
167.08510	12.2
169.10141	16.4
170.10870	5.6
171.08041	13.8
171.11703	23.3
173.09560	28.9
175.11171	21.3
178.07729	8.2
179.08571	12.7
180.09325	6.7
181.10094	16.8
182.10794	7.1
183.08006	12.1
183.11679	14.4
185.09595	20.8
185.13199	10.0
187.11159	15.8
189.12766	7.5
191.10675	6.7
193.10332	12.8
193.12254	40.6
195.11702	19.5
197.09569	16.8
197.13216	10.7
198.10236	6.9
199.07605	7.3
199.11180	16.9
199.14845	6.5
201.09093	8.4
201.12585	7.6
204.09314	5.9
205.10178	11.5
207.11711	16.6
209.09663	12.5
209.13213	17.7
211.11337	13.8
211.13290	24.8
213.09116	6.5
213.12733	13.2
215.14227	7.5
216.09315	9.1
217.10237	9.6
219.11711	14.1
221.13295	30.0
223.11157	14.5
223.14832	7.7
225.12608	11.0
225.16345	7.9
229.15797	7.0
230.10844	6.2
231.11644	8.3
232.12367	10.5
233.13307	18.5
235.14722	9.1
237.12697	14.0
239.14250	23.1
241.12228	12.5
243.13858	8.3
244.12479	6.4
245.09485	8.3
245.13217	9.5
245.15372	6.6
247.14825	13.0
251.10776	7.8
251.14148	7.0
253.12172	9.0
259.14832	8.6
261.12585	7.5
261.16342	9.6
263.14148	8.5
265.15820	7.6
267.13556	10.3
267.15930	91.0
271.14960	10.2
277.15854	10.4
285.16824	23.8
289.15683	7.6
297.04062	15.6
301.19229	7.2
303.17166	7.3
315.17429	8.2
317.18915	7.1
319.16721	7.3
325.17935	6.8
345.18576	8.0
367.22763	7.8
385.23581	8.9
403.28485	16.8
417.24112	8.0
423.23663	5.8
431.25867	7.5
433.25412	9.7
441.24289	15.8
445.23517	17.3
447.25488	9.5
455.22247	11.7
459.25461	92.5
462.23444	7.3
463.24664	12.7
465.26157	11.1
473.23163	25.6
477.27237	49.2
481.25824	8.5
491.24405	51.5
509.25485	42.2
527.26154	8.7
544.28967	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.0
55.01868	2.4
55.05509	6.1
57.07069	1.7
58.07819	1.6
65.03929	1.9
67.05505	11.4
69.03427	4.4
69.07072	3.0
69.18595	3.6
69.19002	8.4
70.74934	1.4
79.05511	8.5
81.03431	2.7
81.07064	12.7
83.04987	12.0
83.08612	1.9
91.05475	12.3
93.07043	17.9
95.04975	5.5
95.08604	16.3
97.06536	2.2
97.10146	2.1
98.10474	1.4
98.22578	2.7
99.00832	3.1
105.07032	13.8
107.04963	2.8
107.08609	7.3
109.06530	5.4
109.10165	3.6
111.04444	7.8
111.08099	8.6
117.07034	4.3
119.08604	14.0
121.06497	4.7
121.10151	3.4
123.08073	3.2
128.06244	2.8
129.07024	4.2
131.08562	8.8
133.06497	28.8
133.10127	11.4
135.08075	3.3
137.06000	5.8
139.07509	9.3
141.07062	2.1
142.07744	2.2
143.08502	9.4
145.06505	6.2
145.10132	5.8
147.08037	1.4
147.11687	6.6
149.09645	5.5
155.07072	3.4
155.08549	5.0
157.10120	7.8
158.07277	1.6
159.08008	2.5
159.11673	5.1
161.06033	4.0
161.09711	2.8
161.13196	2.2
167.08528	2.3
169.10156	8.4
171.08051	2.1
171.11707	6.6
173.09604	3.0
175.11176	3.9
179.08629	2.1
181.10152	5.5
182.10899	1.9
183.08118	2.5
183.11694	7.7
185.09637	4.5
185.13184	3.4
187.11197	4.6
187.14711	1.5
193.10121	4.2
194.10930	2.0
195.11678	8.7
196.08916	4.0
197.09612	9.1
197.13315	6.7
199.11180	8.0
199.14832	2.5
201.09128	3.3
201.12906	2.0
205.10136	3.6
206.10960	3.4
207.11731	3.9
209.09682	3.1
209.13300	5.2
210.10458	4.4
211.11160	10.7
211.14806	3.4
212.11783	2.0
213.16370	1.6
219.11685	2.5
221.13319	6.2
222.10539	1.4
223.11188	12.9
223.14801	2.2
224.11813	2.6
225.12756	12.2
227.14343	2.0
229.08583	2.0
233.13144	1.9
235.14821	3.3
237.12752	6.4
237.16452	1.8
238.13548	12.3
239.14288	14.9
245.15450	4.0
249.12959	2.0
251.14357	3.5
263.14270	2.1
263.17795	2.2
277.15927	1.8
279.17517	2.2
281.19104	1.8
289.15417	1.7
291.17227	3.3
309.18430	1.9
319.16910	5.7
329.17764	1.6
335.19830	1.8
337.17966	100.0
338.18231	8.1
355.19165	10.6
375.23248	6.5
393.24231	25.3
394.24292	1.9
427.22446	3.5
445.23730	4.9
455.22055	6.6
473.23248	13.1
474.23328	2.1
491.24527	10.4
526.35834	1.9
543.37134	1.8
544.37115	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95900	1.2
53.03948	1.8
55.01888	1.3
55.05510	4.4
57.03424	1.2
61.82076	1.2
63.02354	1.0
66.01571	1.1
67.05513	6.6
69.07083	1.2
70.70569	1.0
71.31229	1.7
79.05496	4.3
81.03439	1.8
81.07056	7.1
82.54749	1.0
83.04992	7.4
84.96696	1.0
91.05480	6.0
93.07055	10.2
95.04958	2.6
95.08599	9.5
97.06480	1.2
99.00805	1.4
105.07035	14.8
107.04942	1.6
107.08593	4.3
109.06519	2.0
109.69421	1.3
111.04401	2.9
111.08064	5.3
115.05486	1.0
117.06994	2.2
119.08566	8.7
121.06580	1.4
121.10143	2.4
123.08106	1.5
129.07025	1.6
131.08574	4.8
133.06494	38.0
133.10126	5.4
134.06779	1.3
135.08049	1.7
137.05992	1.1
139.07555	3.9
141.06999	1.3
142.07774	2.6
143.08571	5.0
145.06470	3.7
145.10146	3.3
147.08099	1.5
147.11684	2.6
149.09636	3.3
155.08545	4.9
156.09377	2.3
157.10127	5.0
159.08093	2.4
159.11702	3.9
161.06047	1.9
161.09688	2.7
167.08620	1.3
169.10146	3.7
170.10921	1.2
171.07996	1.6
171.11702	4.1
173.09668	1.9
175.11192	1.5
179.08571	3.0
181.06412	1.4
181.10120	3.5
182.10930	1.8
183.08049	1.2
183.11707	3.5
184.12239	1.1
185.09630	1.1
185.13345	2.5
187.11255	2.4
189.05542	1.1
193.10179	2.8
194.10950	1.2
195.08000	1.6
195.11725	4.5
196.08788	2.0
197.09604	4.5
197.13329	4.3
199.11220	3.9
199.14842	1.7
201.12697	1.3
206.10957	1.4
207.11710	3.1
209.09554	1.5
209.13220	2.4
211.07607	1.1
211.11191	5.2
211.14830	1.7
212.11931	1.2
213.12747	1.8
219.11777	1.4
221.13332	3.3
223.11133	5.7
223.14816	1.4
225.12718	6.0
227.14388	2.1
229.08580	2.1
233.13431	1.7
235.11078	1.6
235.14851	2.6
237.12775	2.7
237.16444	1.8
238.13503	3.6
239.14299	6.2
249.16394	1.5
251.14304	2.0
253.15897	1.7
263.14481	1.3
263.17789	1.1
291.17520	1.4
294.19940	2.1
319.16901	2.5
329.17557	2.0
335.20016	1.5
337.17960	100.0
338.18286	6.2
355.19000	3.7
357.22363	1.4
365.24686	1.8
375.23154	6.2
377.21289	1.3
393.24265	21.4
423.14124	4.8
427.23047	1.4
431.25925	1.4
445.23657	2.3
455.22147	4.9
473.23083	11.8
474.23801	2.2
477.26465	2.4
491.24283	8.1
495.27429	2.1
527.26715	1.3
544.36835	3.1
545.17767	3.6
545.22058	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.7
57.07067	2.6
59.41638	3.3
60.05647	20.2
60.08167	3.3
60.48049	2.5
61.51501	2.7
67.05491	11.5
69.07062	6.1
69.27010	21.1
72.81880	2.5
75.55379	2.9
77.07922	2.9
79.05481	9.2
81.03426	5.2
81.07067	17.0
83.08611	4.7
91.05468	10.2
93.07055	14.1
94.41918	2.6
95.04974	3.9
95.08602	13.2
98.08596	2.8
99.08050	3.5
105.07032	16.1
107.08590	8.9
109.10152	5.5
119.08556	6.7
121.10143	5.7
123.11700	5.1
129.06995	4.0
131.08554	5.4
133.10121	12.1
135.08070	3.5
135.11710	4.1
136.38997	2.7
137.05969	3.2
145.10135	6.7
153.05507	4.6
159.11632	3.9
161.13287	2.8
167.07001	13.8
181.08592	3.3
182.66704	2.9
205.12271	3.9
237.14917	3.5
256.07333	3.7
264.11285	2.8
269.08060	3.6
270.08478	3.2
279.10175	3.5
285.07474	6.1
295.13208	7.3
299.09180	9.9
300.06155	3.5
307.13104	4.0
311.08923	3.1
312.09811	6.7
313.10394	3.8
315.08603	7.5
316.09201	8.1
322.12024	4.1
323.12775	12.1
326.11478	9.9
327.11966	4.7
329.10214	3.3
330.11066	25.3
331.11526	5.8
337.14307	11.7
338.14999	8.7
341.17462	3.8
342.11209	2.8
343.11786	8.0
353.13702	11.7
354.14484	3.9
357.13275	7.8
368.16122	26.2
369.12955	3.6
369.16946	28.0
370.17255	5.6
384.15561	4.4
399.18015	100.0
400.18338	21.8
509.28915	7.5
527.36938	4.6
545.19690	4.2
545.38385	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
67.05495	2.2
69.07067	3.1
70.71727	1.6
72.55149	0.7
79.05497	3.0
81.07054	1.9
90.56936	0.8
91.05486	2.5
93.07047	3.5
95.08606	1.9
105.07050	1.1
105.75427	0.7
107.08585	1.5
117.07066	1.3
119.08566	1.6
121.10128	1.1
133.10164	1.5
136.11940	0.8
145.10146	1.5
147.11639	0.9
163.11241	1.0
165.05440	1.4
167.06996	2.4
169.06566	1.1
181.08626	1.5
182.06989	0.8
183.04411	1.4
194.77711	0.8
196.05258	1.3
197.05899	1.9
197.09619	1.6
198.06628	2.6
199.07220	1.1
207.08057	1.2
210.06761	2.8
211.07317	3.3
212.07855	2.1
213.05339	1.3
220.08794	1.0
221.09369	1.5
224.04561	1.1
224.08008	1.0
225.05452	3.3
225.09035	3.3
226.05991	2.7
226.09514	2.8
227.06830	1.8
227.12827	1.8
233.09280	1.2
234.10156	0.9
235.11131	2.0
236.11568	3.1
238.06032	0.8
238.09430	1.2
239.06906	3.1
240.07532	3.2
241.04947	4.5
241.08276	2.2
242.05338	4.0
243.06207	0.9
247.07312	1.0
248.08025	2.1
249.08868	3.5
250.09569	2.4
251.03311	1.8
251.06961	1.5
252.07614	2.9
253.04924	1.8
253.08563	3.4
253.11670	0.9
254.05650	1.8
254.08981	2.2
255.06448	6.4
255.10199	1.2
256.07169	12.0
257.07657	5.3
262.09750	1.6
263.07321	1.4
263.10602	5.9
264.07800	1.7
264.11084	5.7
265.08530	3.2
265.11746	1.7
266.05640	1.3
266.09052	2.9
266.12509	1.0
267.06174	1.4
267.09772	1.1
267.14145	1.1
268.07150	2.3
269.04477	3.3
269.08035	3.7
270.04938	2.5
270.08578	4.2
271.06009	1.1
276.07913	1.2
277.08524	2.4
278.09323	3.0
279.09946	2.4
280.07175	1.3
280.10703	4.3
281.04764	1.3
281.08176	1.8
281.11380	3.0
282.05014	1.6
282.08578	1.3
283.03061	1.1
283.06006	8.6
283.09589	3.9
284.06476	8.8
284.10083	2.1
285.04269	1.0
285.07297	3.7
287.09073	1.0
291.10034	3.6
292.07315	1.5
292.10327	4.0
293.07968	2.3
293.11649	4.4
294.08914	1.5
294.12180	6.5
295.09747	1.8
295.13120	6.9
296.06573	2.8
296.10205	1.9
296.13419	5.5
297.07495	6.1
297.10498	1.3
298.07910	4.5
299.05417	1.4
299.09033	4.8
300.06219	3.7
301.06641	2.7
306.08731	1.4
306.12378	1.5
307.09375	3.5
307.12906	1.8
308.09958	4.5
309.07779	1.1
310.08133	3.6
310.11603	1.4
310.15543	1.6
311.09039	7.7
311.12469	1.8
312.09662	6.4
313.06888	2.8
313.10397	1.7
314.07779	38.2
315.08209	36.6
316.08783	5.3
321.11224	9.1
322.11624	19.2
323.09061	1.7
323.12564	8.6
324.09576	2.1
324.13107	6.3
325.10724	1.2
325.14355	4.1
326.11310	4.2
326.14798	6.4
327.08542	5.5
328.09018	4.4
329.09991	1.2
330.10977	9.5
337.14246	5.8
338.11423	2.1
338.14987	2.0
339.11838	3.6
340.09192	1.3
341.10208	5.9
342.10590	7.1
343.11407	2.4
352.13077	1.5
353.13791	30.5
354.14182	52.3
355.14597	1.7
357.13156	2.5
368.08527	1.1
368.16183	8.5
369.12756	1.5
369.16861	9.4
383.09830	1.9
383.14865	48.5
384.15228	100.0
385.15421	7.3
399.18045	32.6
400.18280	2.4
544.14392	1.4
544.37085	2.2
545.31622	1.1
545.38947	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.3
55.01871	5.8
55.05510	17.4
57.03427	2.4
67.05502	34.6
69.03395	3.8
69.07076	8.3
69.09086	4.9
69.09492	14.0
71.34080	2.9
79.05493	26.5
80.05811	3.3
81.03420	5.3
81.07047	31.1
83.04974	12.4
83.08611	7.5
91.05479	33.2
93.07036	42.5
95.04984	14.6
95.08609	52.9
97.06512	4.8
97.10200	3.1
98.22585	4.1
103.05466	2.5
104.10732	9.5
105.07030	46.8
106.07330	2.9
107.04964	6.7
107.08588	32.9
108.08918	3.1
109.06515	8.5
109.10144	13.2
110.63950	2.7
111.04425	6.5
111.08072	8.3
115.05476	4.9
117.07037	12.9
119.08580	38.0
120.08943	2.6
121.06484	14.2
121.10163	19.6
122.64153	3.5
123.08041	15.8
123.11720	3.4
125.06031	3.1
125.06966	2.6
128.06277	7.8
129.07010	11.5
130.07695	3.0
131.08568	23.7
133.06519	4.5
133.10121	24.3
135.04414	7.7
135.08057	8.8
135.11699	11.1
137.09631	8.2
139.03932	2.7
139.07541	6.8
139.51346	2.6
141.09108	2.9
141.89363	2.7
142.07793	9.7
143.08543	23.9
144.09236	3.0
145.06514	3.8
145.10123	31.1
146.10489	4.3
147.08040	12.1
147.11678	17.5
149.05954	5.5
149.09590	6.6
149.13240	4.0
153.05556	3.9
154.07765	3.5
155.08521	15.4
156.09328	7.4
157.10120	31.2
159.08055	7.7
159.11685	29.9
161.09612	10.9
161.13316	7.1
163.07492	3.9
163.11186	7.4
165.06996	5.3
165.09126	4.2
167.07069	3.5
167.08542	6.3
169.10155	19.3
170.10828	2.7
171.08095	7.3
171.11690	19.1
173.09659	10.3
173.13274	16.0
175.07494	2.4
175.11205	9.1
179.08598	6.8
179.14299	3.3
180.09323	3.4
181.08661	3.7
181.10124	11.0
183.08099	3.8
183.11682	16.6
183.61876	2.6
184.12407	3.6
185.08008	3.6
185.09662	7.4
185.13240	12.8
187.11241	8.5
187.14818	3.4
191.08635	3.2
192.09357	7.0
193.10141	8.6
194.10847	3.8
195.08017	4.1
195.11705	15.2
197.09615	5.2
197.13174	12.6
199.11198	5.5
199.14815	5.3
201.12747	5.9
205.10164	4.7
206.10966	3.2
207.10062	3.7
207.11722	17.2
208.12323	3.7
209.13254	16.1
210.10275	4.2
210.13701	3.4
211.11255	4.2
211.14848	7.2
213.12686	4.9
217.10213	4.3
219.11696	7.7
220.12482	6.7
221.09613	4.4
221.13307	13.5
223.11195	6.6
223.14796	9.6
224.11731	3.6
225.12784	7.8
225.16364	5.4
227.14534	4.1
231.11746	3.4
233.13393	4.8
235.11084	5.1
235.14761	5.7
237.12756	8.3
237.16423	6.3
239.18028	5.5
243.11781	3.7
244.12465	3.6
247.14871	6.1
248.12039	3.3
249.12840	3.8
249.16441	7.7
251.14326	5.2
251.17987	4.1
253.15741	3.7
259.11115	3.4
259.14816	5.8
263.14359	2.5
263.17990	10.8
273.16293	8.1
277.16046	3.1
279.13733	3.2
291.17435	12.2
295.13342	5.1
297.15036	3.8
297.18521	3.6
303.21146	3.3
309.18613	5.8
311.16656	3.5
315.19653	6.7
317.18823	5.6
319.17038	4.0
323.16467	3.2
337.18030	2.9
351.19574	20.4
355.15222	6.7
363.19403	3.4
385.16364	14.1
391.22754	4.0
403.26379	7.8
413.24857	9.7
421.27567	5.0
423.11963	11.0
431.25735	26.9
441.24286	13.8
449.26663	6.1
451.24881	5.8
459.25266	29.2
467.28079	3.3
473.26819	15.2
477.26410	47.7
481.29105	3.3
485.26099	6.8
491.27942	100.0
492.28003	9.4
495.27405	30.8
496.27829	3.3
509.28925	49.5
510.29370	3.9
527.36908	4.0
544.37280	23.9
545.21918	4.4
545.38031	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.3
55.01867	1.7
55.05515	5.4
57.03444	1.3
61.53809	1.2
67.05502	5.3
69.03434	5.1
69.07082	1.5
71.05000	2.4
73.02930	1.4
79.05505	9.7
81.07061	30.7
81.07520	2.0
82.07391	1.4
83.04984	14.3
85.02917	4.6
91.05486	8.8
93.07041	10.3
93.56102	1.1
95.04977	3.8
95.08604	10.8
97.02941	2.5
105.07032	7.9
107.05018	1.8
107.08614	4.6
109.06534	11.9
109.10182	1.6
111.04454	8.2
111.08091	4.4
117.06996	4.0
119.08586	7.6
121.06527	2.9
121.10170	2.3
123.08089	3.3
127.03928	1.5
128.06261	3.3
129.07036	5.0
131.04987	1.4
131.08562	7.7
133.06512	2.2
133.10159	6.0
135.08078	4.4
137.05980	35.4
138.06360	1.4
139.07556	3.5
141.07021	3.0
142.07822	1.9
143.08545	5.1
145.06473	1.5
145.10120	6.5
147.08044	2.9
147.11644	2.7
155.08545	12.9
156.09375	2.5
157.06540	2.2
157.10161	6.3
158.07312	1.5
159.08078	2.8
159.11752	7.9
161.09685	3.6
163.07506	1.8
165.07047	2.0
167.08591	4.7
168.09387	1.7
169.10114	11.8
171.11676	4.0
173.06018	1.4
173.09688	5.0
175.11211	4.1
178.07834	1.9
179.08606	5.5
180.09349	2.6
181.10168	5.1
183.08075	1.9
183.11703	5.8
185.09734	2.2
187.11180	3.9
189.07222	1.3
189.09117	2.2
192.09375	3.3
193.10088	6.3
194.10985	2.3
195.08064	2.3
195.11665	6.5
196.08905	1.4
196.12448	2.0
197.09641	10.3
197.13153	2.9
199.11261	2.5
199.14699	1.3
201.12738	1.4
203.08606	1.7
205.10187	4.2
206.10942	3.9
207.08058	1.5
207.11667	8.0
209.09686	3.5
209.13350	4.8
211.11183	3.2
211.14854	1.5
213.09177	1.3
213.12854	1.6
215.10555	7.0
217.10269	2.6
218.10924	2.3
219.11815	6.1
221.09679	2.6
221.13281	7.4
222.13823	1.5
223.11183	3.0
223.14882	2.4
225.12685	1.7
227.10809	1.7
227.14426	1.7
229.10132	3.7
229.12222	1.4
230.10947	2.6
231.11732	5.4
232.12485	2.0
233.09676	2.7
233.13377	3.0
233.15361	1.9
234.10365	2.3
234.14053	1.9
235.11264	3.5
235.14870	3.1
237.12743	5.0
239.14212	1.9
241.12283	1.5
242.11003	1.5
243.11691	4.7
244.12485	3.7
245.09645	2.1
245.13280	7.0
245.15477	2.0
246.14049	1.7
247.11169	4.6
247.14862	2.9
248.11905	1.6
249.12807	5.1
251.14331	1.9
255.11467	1.5
255.13873	3.7
257.13339	3.5
258.14001	3.5
259.11212	3.3
259.14835	6.7
260.15576	3.8
261.16431	2.7
262.09799	1.3
265.12253	2.6
267.13809	3.7
270.14243	1.6
271.15009	2.9
272.15628	2.0
273.12970	2.0
273.16412	5.2
274.17130	1.7
275.14511	1.7
275.17850	2.6
277.12366	1.8
277.15955	3.5
284.15674	1.5
285.12869	3.1
285.16415	3.5
286.13608	1.8
287.14282	3.6
287.17960	1.7
288.18600	1.7
289.16107	2.4
291.13947	1.7
291.17468	2.3
299.14401	1.5
299.18002	2.6
300.18625	1.7
301.15717	4.4
301.19177	2.7
302.16885	2.0
303.17435	2.6
303.21063	1.3
311.17938	1.6
313.16019	1.9
313.19498	1.6
314.20206	2.0
319.17001	4.0
327.17444	5.0
329.19153	1.6
331.16821	1.8
331.20615	2.0
337.17917	2.3
341.18869	1.5
342.19797	3.8
345.18195	3.7
349.21674	2.3
360.20871	2.5
395.23425	2.2
399.23206	5.1
405.21039	1.7
413.24677	7.5
415.26553	12.6
417.24225	9.2
423.23193	3.3
431.25867	7.0
433.27530	10.0
437.19180	1.8
441.24258	45.4
442.24423	2.8
449.19571	2.3
451.21255	1.4
459.25323	100.0
460.25446	8.7
465.22650	3.3
467.20514	3.3
477.26422	34.6
478.26773	3.1
481.22287	1.4
485.21713	19.0
491.20334	2.8
495.27557	3.9
509.21820	5.3
527.22791	3.0
544.39185	2.5
545.18201	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.2
54.57339	1.0
55.05512	5.6
57.03428	1.2
57.07066	1.0
58.06604	2.4
67.05508	8.6
68.05833	1.7
69.07056	4.0
69.30588	6.9
71.05005	1.6
78.99792	0.9
79.05507	6.8
81.03432	1.1
81.07053	9.5
82.46915	0.9
83.04981	4.6
83.08619	2.8
91.05499	7.1
93.07043	7.4
95.04964	3.4
95.08610	13.9
96.08944	1.4
97.10172	1.3
101.95647	0.8
105.07037	9.8
106.07356	1.9
107.05012	1.1
107.08582	8.1
107.98991	0.9
109.06521	1.6
109.10178	5.0
111.04441	1.4
111.08101	2.8
117.07001	3.2
119.08585	9.7
121.06505	2.8
121.09343	1.1
121.10143	3.8
123.08080	3.1
123.11691	0.9
125.09602	2.1
128.06206	1.4
129.07051	4.8
130.07544	0.9
131.08568	7.7
132.08966	1.2
133.10138	6.2
135.08049	5.0
135.11697	1.8
139.07544	2.4
141.06998	1.6
142.07727	1.3
143.08557	5.7
144.09019	1.2
145.10123	8.1
147.08069	1.9
147.11755	2.3
149.09593	1.1
155.08514	5.8
156.09291	1.6
157.10117	11.6
158.10522	1.3
159.08006	1.4
159.11691	7.8
161.09613	4.1
161.13228	2.0
163.07555	1.2
163.11211	1.9
165.06999	1.4
167.08598	1.8
169.10161	7.0
170.10533	1.2
171.11699	5.8
173.09601	1.5
173.13261	1.6
179.08522	2.7
179.10692	2.7
180.09279	1.1
181.10118	5.3
183.11656	6.4
185.09529	1.2
185.13225	2.8
193.10124	5.3
194.10829	2.1
195.11711	6.6
196.12364	1.6
197.09540	1.5
197.13246	5.3
198.13802	1.7
199.11186	2.2
199.14832	2.3
201.12776	1.4
205.10265	1.3
205.12244	1.0
206.10947	1.9
207.11749	13.3
208.12387	2.7
209.09738	1.3
209.13254	10.0
210.13858	1.3
211.11140	1.2
211.14836	2.6
217.12123	1.8
219.11656	2.5
220.12360	1.9
221.13223	8.7
222.13844	2.3
223.11172	1.7
223.14873	7.3
225.12657	1.6
227.12654	1.3
233.13217	2.3
235.11037	1.3
235.14859	4.5
237.16403	2.9
239.14346	1.4
247.11230	1.1
247.14766	2.4
248.15175	1.4
249.12773	3.4
249.16324	3.3
251.14333	2.7
253.12204	2.0
257.15439	2.0
260.01489	0.9
261.16385	1.9
263.14362	2.1
263.17911	5.9
265.16025	1.2
265.19434	1.4
267.13705	6.8
268.14108	1.0
269.15430	2.7
277.15842	1.6
279.17285	1.5
281.15201	1.3
283.16965	1.8
288.18372	1.1
289.19421	1.0
291.17346	1.2
295.17050	2.3
297.18481	2.7
300.23953	1.6
305.18921	3.7
309.18436	1.8
323.20065	12.8
324.20551	2.1
325.21616	2.1
349.21564	1.6
364.23843	1.8
389.20941	2.9
403.26352	18.9
404.26654	2.1
407.22232	2.7
417.27820	4.4
419.29465	4.2
427.26157	4.4
434.31335	2.1
437.26611	1.2
445.27377	18.3
446.27545	1.6
452.32196	2.0
463.28427	100.0
464.28860	11.7
470.33582	1.3
481.29462	12.5
482.29584	1.9
526.36169	5.7
544.37079	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29704	8.3
52.50295	9.1
53.03946	11.5
55.05515	31.9
66.60580	9.6
67.05508	66.6
69.07080	14.7
69.25368	48.1
69.25776	17.1
72.98534	8.5
73.33083	9.3
79.05511	47.1
81.03398	13.3
81.07069	58.9
83.05003	30.3
83.08662	11.1
91.05473	51.2
93.07072	50.7
95.04964	23.0
95.08620	42.9
105.07039	56.6
106.07378	10.5
107.08603	41.4
109.06523	19.8
109.10158	16.0
111.08128	19.6
117.07069	15.6
119.08566	45.3
119.57736	9.9
121.06503	16.3
121.10164	25.4
123.08087	15.9
125.09561	10.7
127.05621	8.3
128.06229	17.5
129.07037	19.8
131.08592	30.7
133.10141	35.6
135.08037	16.7
137.05981	10.5
142.07745	13.6
143.08585	28.2
145.10158	31.1
147.08051	15.9
147.11664	14.0
155.08540	12.7
157.10162	29.4
159.11687	28.9
161.09662	14.0
163.11264	12.3
169.10085	23.1
171.11790	12.6
172.16797	9.1
173.09633	11.4
173.13266	13.6
179.08435	17.4
181.10173	14.7
182.10841	12.4
183.11722	19.3
185.09525	11.6
193.10178	23.2
195.11697	22.5
197.13271	15.6
199.11317	13.1
199.14929	15.1
207.11633	25.1
208.12396	10.4
209.09708	12.0
209.13350	39.0
211.14694	15.6
213.12711	10.2
221.13362	20.8
223.14899	20.9
232.12389	11.6
233.15169	12.5
235.14893	12.7
249.12616	19.7
249.16585	10.1
253.12308	14.2
253.16132	10.1
263.17877	17.1
267.14041	11.0
269.15533	13.3
279.13907	9.4
281.15619	10.5
299.82181	9.7
303.17377	9.6
323.19958	22.6
384.21353	10.0
403.26306	69.8
445.27200	40.1
463.28644	100.0
477.26468	31.7
481.28479	15.1
499.26492	20.8
509.24948	13.7
544.26929	20.7
544.36816	50.0
545.35474	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.8
65.03951	0.8
67.05499	5.1
69.07069	1.8
71.04982	0.6
79.05491	2.4
81.03410	1.0
81.07056	4.5
83.04980	2.3
83.08624	0.9
85.06525	1.8
91.05477	3.8
93.07040	6.4
95.05004	0.8
95.08609	10.4
97.06509	1.0
97.32115	0.7
98.23382	1.3
105.07050	6.5
105.07730	0.9
107.08605	6.0
109.06541	2.0
109.10142	2.2
111.04451	1.7
111.08108	2.1
115.05496	0.7
117.07050	1.7
119.08561	5.7
121.06480	1.2
121.10175	2.8
123.08080	2.7
125.09615	0.8
129.07010	2.5
131.08574	4.0
133.10146	4.6
135.08083	2.9
135.11673	1.4
139.07532	1.4
141.07030	1.1
142.07845	1.8
143.08597	5.0
145.06544	0.7
145.10115	5.8
147.08051	1.9
147.11740	1.5
155.08559	6.6
156.09320	1.5
157.10124	7.5
159.11758	3.6
161.09663	3.7
161.13309	1.8
165.06996	1.4
167.08568	2.2
169.10126	5.3
171.11673	4.0
173.09610	1.3
173.13290	1.0
175.11174	1.5
177.09142	0.9
179.08571	2.4
179.10643	1.0
180.09251	1.2
181.10118	4.4
182.10832	1.7
183.11699	4.1
185.09663	1.4
185.13300	1.6
187.11179	1.4
189.12811	1.1
192.09308	0.9
193.10115	4.4
194.10947	2.6
195.11705	6.6
196.12512	1.0
197.09752	1.7
197.13206	4.0
199.11201	3.0
201.12827	0.8
205.10237	0.9
206.10948	2.1
207.11702	10.0
208.12466	2.6
209.09645	1.2
209.13235	5.6
210.13989	1.0
211.11205	1.7
211.14864	1.8
212.12206	0.8
212.84799	0.8
213.12711	1.0
217.12169	1.1
219.11691	3.1
219.13675	0.8
220.12617	1.0
221.13263	9.1
222.13902	1.4
223.11237	1.5
223.14742	4.3
225.12846	1.4
227.10684	1.9
227.14311	1.1
232.12450	1.0
233.13298	1.8
234.13930	1.2
235.11128	1.7
235.14792	4.5
236.11998	0.9
237.12744	1.4
237.16364	1.9
239.14357	2.4
243.13966	1.0
245.13208	0.8
247.14975	3.3
248.15698	0.9
249.12784	4.5
249.16411	2.2
251.14275	4.1
253.12225	0.9
257.15564	1.2
261.16388	1.6
263.14362	3.2
263.17868	3.4
265.15823	2.3
267.13864	3.3
269.15298	3.4
275.14081	0.8
275.18039	0.9
277.15942	2.2
277.19427	1.2
279.17535	1.1
279.20984	1.0
281.15433	2.3
283.17044	1.5
289.15820	1.2
289.19559	1.2
291.17456	1.3
293.15463	0.8
295.16940	1.7
303.17352	1.1
305.18918	6.7
309.18549	2.2
317.19177	1.1
323.19946	7.1
331.20535	1.5
345.20709	1.7
349.21729	1.1
361.21542	1.2
364.23947	1.1
399.26785	1.1
403.26413	4.5
409.25259	1.0
417.27841	3.3
419.29272	4.2
427.26395	3.8
445.27380	23.1
446.27682	2.7
463.28421	100.0
464.28702	8.6
481.29428	3.8
499.46548	0.8
544.36487	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54523	8.8
54.63393	10.9
55.05500	24.3
64.26559	9.8
67.05502	45.2
69.07065	28.7
71.04970	10.0
71.32080	8.9
71.32472	14.3
79.05521	25.1
81.03429	15.2
81.07041	47.7
83.05000	22.2
83.08614	15.4
91.05484	34.2
93.07059	36.9
95.04964	17.7
95.08598	69.7
97.06517	9.0
105.03384	32.8
105.07021	44.3
107.08605	40.0
109.10168	30.4
111.08073	17.6
117.06963	13.6
118.43106	10.0
119.08597	34.6
121.10140	33.9
123.08039	19.6
123.11728	15.4
124.99952	11.0
125.00980	9.5
129.07043	10.2
129.25745	9.4
131.08601	34.3
133.10109	29.8
143.08554	23.9
145.10139	40.7
147.11681	23.7
155.08572	10.6
157.10136	39.1
159.11771	35.2
161.09578	15.3
161.13286	21.1
169.10143	15.1
171.11731	42.2
173.13298	21.5
183.11717	16.2
185.13295	22.3
195.11818	11.6
197.13254	13.7
207.11601	13.8
209.13301	14.8
211.14938	20.3
225.16280	13.1
231.13799	12.6
233.15469	11.0
235.84628	10.9
241.16064	11.9
265.15897	10.5
271.17032	13.8
285.18674	18.1
309.22067	13.1
314.07776	46.3
321.11230	19.9
322.11871	12.3
327.08438	10.9
327.23267	24.9
353.13669	46.7
359.52011	10.5
383.14865	94.9
384.15329	12.8
422.12704	13.8
425.25986	10.9
431.29288	23.8
449.30621	51.4
467.31528	100.0
544.15857	17.5
544.37030	16.8
545.21399	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.6
55.01868	7.4
55.05513	57.8
55.73756	4.8
57.03434	7.7
57.07063	7.5
67.05504	87.0
68.05821	6.1
69.03442	7.0
69.07074	35.4
71.04979	11.8
78.84893	4.6
79.05498	77.2
81.03415	21.3
81.07059	90.8
82.07400	6.0
83.04970	14.3
83.08628	31.1
85.06543	6.6
91.05482	78.7
92.05805	10.8
93.07040	89.8
94.07384	8.4
95.04972	36.5
95.08610	88.3
96.08939	10.7
97.06516	13.5
97.10202	25.0
103.05460	5.5
104.10760	12.3
105.03385	12.6
105.04533	5.4
105.07035	64.8
107.04961	8.6
107.08590	60.3
108.08942	9.4
109.06513	11.2
109.10169	35.7
111.04403	8.4
111.08073	14.0
115.05422	6.0
117.07056	26.2
119.08589	51.6
121.06520	12.5
121.10143	45.8
123.08071	14.2
123.11723	13.4
125.05962	5.8
125.09639	14.9
129.07022	12.3
131.08563	45.0
132.08861	5.7
133.10127	52.7
135.08020	10.6
135.11705	24.8
136.11969	5.7
137.09589	7.8
142.07719	7.9
143.08591	20.8
145.10104	49.6
147.08055	10.2
147.11679	27.6
149.09622	15.6
149.13286	14.9
150.92781	5.2
151.11157	10.3
155.08557	16.6
157.10152	25.3
157.18884	6.6
159.11670	37.3
161.09628	9.3
161.13246	13.0
163.11176	16.1
163.14821	6.9
167.08568	7.2
169.10149	21.8
171.11676	18.9
173.13284	30.6
175.11179	12.2
175.14787	6.0
177.12688	6.0
181.10156	12.0
183.11696	15.6
185.13277	15.3
187.11198	6.9
187.14902	25.5
189.12721	6.7
189.16306	8.2
193.12195	6.3
194.77353	6.6
195.11746	8.1
197.13304	14.5
199.14780	13.6
201.12779	5.7
201.16393	8.7
209.13361	8.7
211.14815	14.7
213.16425	6.9
219.13933	6.4
221.13252	6.1
223.14877	8.3
225.16342	6.7
227.12679	28.2
228.13144	12.7
229.15936	7.1
233.15395	9.6
235.14755	6.0
239.17950	9.8
243.21036	6.6
251.18010	7.9
251.20351	6.3
260.73996	5.7
261.22083	17.4
267.15802	10.7
267.20944	7.2
301.25177	17.7
327.23123	5.8
335.25916	11.2
356.09479	5.8
403.29300	6.5
407.29410	22.9
421.30563	9.2
423.11987	89.0
425.30283	8.7
431.29297	12.9
435.32385	10.1
449.30472	41.2
450.30896	7.1
452.32352	9.3
453.33408	16.1
467.31546	80.4
471.34601	6.4
526.35834	17.3
527.37213	46.0
544.37146	100.0
545.38519	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72794	4.1
51.81046	3.9
53.03939	6.8
55.05513	8.6
67.05501	27.7
69.07067	11.2
70.19047	14.7
78.53846	3.7
79.05481	23.0
81.07054	44.2
83.04990	11.7
91.05456	28.3
93.07037	52.2
95.04966	14.5
95.08604	100.0
96.08968	4.0
97.06528	6.1
105.07008	35.0
107.08585	33.3
109.06520	76.9
109.10137	33.0
111.04457	12.1
111.08077	10.1
117.07021	12.6
119.08604	37.1
121.06543	11.3
121.10131	23.2
123.08031	7.3
123.11681	7.7
128.06221	9.4
129.06973	13.0
131.05002	4.6
131.08545	29.9
133.10115	28.2
135.08058	12.9
135.11699	12.7
137.05963	23.9
137.09673	7.6
139.07562	8.7
141.07008	6.7
142.07771	15.2
143.08537	33.7
145.06468	8.0
145.10104	41.0
147.08063	12.5
147.11656	28.7
151.07590	4.5
155.07036	38.2
155.08545	13.5
156.09331	12.5
157.06491	9.4
157.10143	33.5
159.08078	16.4
159.11703	24.3
161.09627	9.8
161.13225	11.1
167.08641	6.8
169.10130	18.9
170.10793	7.9
171.08067	26.4
171.11714	26.0
172.08682	5.3
173.09642	12.7
173.13275	25.3
175.11111	5.3
179.08548	5.3
181.10101	12.0
182.10945	5.1
183.08003	6.1
183.11719	21.8
185.09641	17.5
185.13246	36.0
187.11137	12.4
187.14825	15.2
189.12791	8.4
191.10522	4.2
193.10162	5.8
195.11754	16.0
197.13309	10.4
198.10391	7.6
199.11201	12.9
199.14841	11.7
201.12773	13.6
201.16501	5.8
203.10725	7.0
207.11705	6.2
209.13245	9.8
211.11305	5.8
211.14854	10.5
213.12729	49.3
215.14307	13.9
217.12245	15.1
219.13832	8.4
221.13303	6.3
223.14824	12.8
225.12669	9.8
225.16522	5.3
227.14330	17.4
229.12354	7.3
231.13757	24.0
232.14392	5.4
233.13211	5.9
233.15321	4.9
235.14839	5.3
243.13789	9.0
245.15421	10.1
257.15445	5.8
263.27820	5.3
265.15884	10.3
267.17334	4.7
281.22714	9.2
283.17096	5.5
295.06396	4.0
295.09802	4.6
305.19058	5.3
307.20612	10.5
309.18652	5.8
309.22168	11.2
323.20340	6.1
325.21542	12.8
327.23111	28.7
346.63531	4.7
371.32925	4.5
379.25989	5.8
417.28073	10.2
427.26404	23.2
435.29019	8.6
445.27396	42.8
463.28366	60.6
481.29678	20.4
545.18030	6.4
562.43829	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	12.7
64.31111	5.3
67.05496	27.6
69.07054	5.7
69.27757	36.5
78.67009	5.2
79.05499	22.7
81.07043	25.5
83.04978	9.5
91.05488	11.3
93.07025	23.0
95.04961	7.3
95.08589	27.2
98.22579	7.8
105.07024	19.6
107.08583	23.1
109.06506	100.0
109.10155	15.4
111.04462	6.3
117.07015	12.2
119.08580	27.3
121.10125	14.4
123.08061	6.7
123.11687	5.8
131.08562	14.2
133.10130	21.4
135.11652	8.1
137.05957	18.9
137.21074	5.4
143.08588	8.8
145.10107	17.8
147.11691	16.6
148.76773	5.5
155.07025	59.7
157.10104	21.6
159.11710	26.3
161.13287	12.0
169.10075	8.6
171.11699	24.2
173.13239	21.9
175.14816	23.9
185.13225	11.0
187.14864	11.3
195.49585	5.8
196.12044	6.5
197.13301	12.1
209.13202	6.7
211.14609	5.6
223.14828	8.6
224.15549	5.8
251.96855	6.9
294.88599	5.7
295.24152	35.1
309.22144	7.2
311.23700	13.1
313.25241	72.9
357.42932	6.0
396.99664	6.1
403.29605	7.1
431.29398	14.2
449.30420	39.1
467.31519	75.5
468.31317	9.2
544.36859	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
55.05501	9.9
65.03931	2.4
67.05511	17.9
69.07075	11.4
71.33464	4.1
73.06565	3.6
79.05488	10.8
81.07059	17.1
83.08643	3.5
91.05495	7.1
93.07027	15.5
95.04983	2.8
95.08616	42.2
97.06520	2.7
105.07033	11.1
107.08607	20.8
109.10157	11.8
115.05465	2.6
115.07559	4.8
119.08585	10.7
121.10178	12.6
125.34702	2.5
129.09201	3.1
131.08543	6.9
133.10127	9.5
135.11708	7.4
142.75795	2.4
143.08577	5.3
144.49646	2.3
145.10141	12.1
147.11678	5.2
149.13242	3.3
156.09399	2.7
157.10101	7.9
159.08012	4.1
159.11673	12.0
159.68761	2.5
161.13245	6.6
163.11174	4.8
163.14833	9.1
169.10072	2.8
171.11661	8.9
173.13255	9.5
181.10115	4.2
183.11679	7.6
185.13278	8.9
187.11157	3.2
187.14925	3.3
197.13232	3.4
199.11130	3.4
199.14806	4.0
201.12645	3.1
201.16360	2.4
205.12189	3.3
209.13324	3.2
211.14757	4.4
213.12921	2.8
213.16495	5.1
223.15038	2.4
225.12770	3.7
225.16356	3.9
227.14359	3.3
227.17845	3.0
247.17087	3.4
255.17566	4.0
260.62701	2.6
287.20200	3.5
290.70981	2.6
295.20374	2.5
301.21658	3.2
353.24805	3.1
368.19312	2.7
449.30652	3.7
453.33566	22.4
481.33115	100.0
482.33276	10.4
544.30713	5.8
545.31458	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.5
55.05510	14.1
57.03446	4.0
58.13080	2.0
62.57439	1.8
67.05504	27.2
67.84955	1.6
68.68662	1.6
69.07068	13.4
69.11713	14.7
71.08687	1.9
72.22429	1.7
73.72348	1.7
74.29525	1.9
79.05493	25.8
81.03428	12.7
81.07058	33.3
83.05006	2.8
83.08624	8.2
91.05479	20.7
93.07037	19.5
95.04985	9.9
95.08609	18.7
97.06551	5.2
97.10182	7.3
103.26057	1.9
105.07040	17.0
107.08605	16.8
109.06547	2.5
109.10182	12.2
111.08083	3.2
117.07027	6.9
119.08578	15.3
121.06464	3.9
121.10151	13.1
123.08054	3.3
123.11708	4.1
125.09649	5.5
129.06995	6.6
131.07730	2.3
131.08499	11.0
133.10118	14.0
135.08073	3.8
135.11679	9.1
142.07713	2.7
143.08595	5.0
145.06511	3.6
145.10120	12.1
147.08078	2.6
147.11694	7.0
149.13257	4.8
155.08522	2.7
157.10185	6.2
159.11691	11.0
161.13297	5.2
165.05493	2.7
165.07051	2.0
169.10156	3.2
171.11661	4.0
173.13258	4.7
175.14822	2.3
183.08044	2.4
183.11694	2.9
185.13246	2.4
189.11243	6.0
193.12320	4.7
197.05988	2.6
197.09673	2.3
197.13264	3.5
201.16409	2.3
207.08136	1.8
210.06825	4.9
211.07532	7.1
220.08884	3.6
223.07466	2.8
224.08377	2.7
225.09172	3.7
227.06990	2.4
227.12814	4.6
235.11032	4.7
237.09071	3.9
238.06229	2.8
239.07173	4.4
240.07832	3.6
241.04961	4.2
247.07655	2.6
248.08334	4.7
249.06638	2.3
249.09215	5.0
252.07732	2.7
253.08586	2.8
254.05788	5.4
255.06525	4.6
256.07315	3.7
261.22162	2.9
263.10648	6.9
265.08655	7.1
267.06546	4.5
267.15881	5.7
268.07254	2.9
269.07999	5.6
270.05255	2.6
271.05957	5.1
273.07321	2.0
277.08533	5.5
278.05902	2.0
279.10226	2.2
280.11060	3.7
281.11749	2.0
283.06128	2.3
283.09448	3.0
284.06784	3.8
285.07544	10.0
291.10101	4.7
293.08286	4.3
293.11658	5.9
295.13245	10.3
297.07513	6.2
298.08206	2.2
299.09030	3.4
300.06216	3.3
301.07022	6.6
301.25308	6.4
302.07977	2.8
307.09619	4.4
308.10443	5.3
309.11111	4.6
311.09100	9.1
312.09885	4.3
315.08444	3.4
316.09418	25.3
317.10059	2.2
321.11115	4.5
322.11993	4.2
323.12720	15.4
324.13290	3.6
325.10791	2.8
325.14206	4.3
327.16135	3.0
329.10205	8.8
329.24591	2.9
335.25870	5.0
338.11664	3.9
343.11734	8.4
353.13803	23.3
354.14529	11.1
355.15378	23.1
365.23117	2.9
385.16452	100.0
386.17032	7.0
423.12082	89.4
424.12234	6.3
435.27448	3.2
435.32663	4.8
453.33429	6.0
471.34512	5.9
527.37347	21.0
545.38293	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83823	2.0
53.03937	3.3
55.05506	10.1
57.03426	2.4
58.06582	2.4
60.05654	2.9
64.72772	1.9
67.05499	17.8
69.07063	6.2
71.31644	2.7
79.05504	13.1
81.03425	5.2
81.07053	17.0
83.04985	3.0
83.08620	7.5
83.84988	2.2
86.09722	5.2
91.05475	11.9
93.07045	13.1
95.04961	5.2
95.08608	10.7
97.06516	2.7
97.10158	4.4
104.10732	15.2
105.07056	11.2
107.04877	2.1
107.08606	7.4
109.10151	6.5
111.08029	2.7
117.06973	3.2
119.08588	8.7
121.10147	4.3
123.11724	3.4
125.09589	2.4
125.23318	2.2
125.71690	2.1
126.61314	2.1
131.08572	5.2
133.10130	8.2
134.15671	2.1
135.11719	4.4
141.97079	2.1
143.08601	4.6
145.10144	5.2
146.98195	3.0
147.11691	5.3
151.48520	2.2
155.08507	2.5
159.11647	3.1
173.09534	2.5
173.13239	3.4
227.12708	2.9
261.21994	2.1
265.08582	2.4
267.15881	5.1
272.26346	2.4
285.07535	3.4
285.22015	2.1
301.25345	3.0
316.09183	4.5
323.12772	6.2
353.13773	5.9
354.04990	40.6
355.05338	3.6
355.15396	6.3
385.16400	17.4
392.10077	13.7
393.10910	6.3
400.29263	2.4
423.12000	100.0
424.12338	8.1
453.33524	3.7
485.26303	5.9
486.26639	6.7
527.37476	10.3
545.21436	5.4
545.38861	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.178
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	1.0
67.17628	0.4
69.13915	4.4
79.05484	1.1
81.07059	1.0
88.37538	0.5
91.05476	0.6
93.06990	1.0
105.07057	1.2
131.08554	0.7
194.07222	0.7
195.08223	0.6
199.07471	0.5
201.25899	0.5
207.07983	0.7
210.06754	0.7
211.07516	0.8
213.09088	0.6
218.07173	0.6
219.08057	0.9
222.06856	0.6
224.08218	1.1
225.05428	0.6
226.06340	0.9
227.07018	2.5
231.07990	0.6
233.09729	0.6
235.07567	2.1
236.08408	0.6
237.05482	1.3
237.09067	1.5
239.07118	1.1
239.10609	0.9
240.07779	0.9
241.08615	1.2
247.07547	0.6
249.09183	0.8
250.06273	0.8
250.09877	1.2
251.07162	1.3
252.07790	1.0
253.08600	1.2
254.09251	0.9
255.06557	4.7
256.07019	1.0
260.08304	0.9
261.09207	0.8
263.07050	1.8
263.10947	0.6
264.07758	0.6
265.05066	0.7
265.08585	1.5
265.12442	0.6
266.09360	0.6
267.06644	1.1
267.10175	2.9
268.07410	1.2
268.10608	0.5
269.08112	1.6
269.12039	0.6
270.05405	0.7
271.06100	1.5
277.08652	2.4
278.09326	3.1
279.06577	0.9
279.10040	1.1
280.07260	1.4
281.04883	0.7
281.08228	2.4
282.08841	1.4
283.06152	4.3
283.09421	0.9
284.06592	0.9
285.07556	2.3
291.06595	0.6
291.10184	0.8
292.10828	0.9
293.08252	1.1
293.11719	3.4
295.06320	1.2
295.09647	2.8
296.10199	0.8
297.07596	1.8
297.11264	2.2
298.08371	15.4
299.05988	0.6
299.08990	2.6
299.12299	0.6
301.07144	0.7
305.08121	1.9
306.04819	0.5
306.08734	1.7
307.09604	1.3
308.06680	0.9
308.10150	0.8
309.07596	1.6
309.11142	1.0
311.05597	1.0
311.09149	1.7
312.09909	2.0
313.07117	1.3
313.10654	7.8
315.08585	1.0
319.09613	1.0
320.06677	0.8
320.10477	1.0
321.07385	3.1
321.11246	5.7
323.05249	1.3
323.09152	2.4
323.12677	0.7
325.10712	2.3
326.07935	4.8
327.08469	2.1
327.12332	3.5
328.09424	1.2
329.10156	1.2
335.09088	0.7
336.06226	0.8
336.09705	2.6
337.10669	2.1
338.07513	2.8
338.11411	1.9
339.08478	0.6
339.12283	0.9
341.10196	21.6
342.10812	2.6
343.11768	1.7
351.03967	1.0
351.08371	14.1
351.12335	3.7
352.08887	0.6
352.13007	1.4
353.10306	0.9
353.13867	4.5
355.15472	1.2
357.13516	2.9
359.11237	2.1
368.12723	1.1
370.14114	0.8
377.09760	0.6
383.14908	11.2
391.11462	1.3
392.12170	2.4
393.13260	1.1
401.15881	10.9
402.16388	1.1
408.11755	1.7
423.14139	100.0
424.14459	6.3
464.16681	0.8
545.17828	15.0
546.17786	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
55.05520	1.0
55.92190	0.4
61.52874	0.4
67.05495	2.8
68.70805	0.4
69.03982	3.0
69.04384	0.8
69.07075	0.6
79.05503	1.6
81.07062	2.1
83.04981	0.5
91.05497	1.5
93.07059	1.4
94.07355	0.5
95.08621	1.3
97.10164	0.7
102.97937	0.4
105.07023	1.2
107.08635	1.4
109.10184	0.7
117.07008	1.0
119.08605	1.1
121.10196	0.5
131.08548	0.6
133.10133	1.1
135.08041	0.5
143.08575	0.9
145.10129	0.5
147.11674	0.6
165.07013	1.0
167.08636	0.7
169.06535	0.5
179.08714	1.0
181.06459	0.8
182.07266	0.8
184.05246	0.6
187.07497	0.5
193.06500	0.8
195.08131	1.0
196.08876	1.1
197.06026	1.4
197.09512	0.5
198.06752	1.1
199.07568	1.5
206.07175	0.9
207.08092	1.5
207.11653	0.5
208.08832	0.5
209.06065	1.2
209.09615	0.8
210.06834	1.6
210.10362	0.5
211.07573	1.8
211.11166	0.7
212.08302	0.9
213.05247	0.5
213.09076	1.2
214.06316	0.5
219.08083	0.6
220.09021	0.5
221.05966	1.0
222.06767	1.1
223.07538	1.2
224.08301	3.4
225.05576	1.2
225.09068	0.9
225.12601	0.5
226.06294	1.5
226.09883	0.6
227.07059	2.3
233.09698	0.6
234.06876	0.6
235.07590	2.5
236.08353	1.7
237.05428	2.1
237.09062	4.0
238.06233	2.4
238.09869	1.4
239.06975	2.4
239.10632	3.1
240.07809	1.9
241.04985	1.2
241.08577	3.0
242.05775	1.3
242.09351	0.8
243.06570	1.0
247.07468	0.7
249.05504	0.5
249.09142	1.6
250.06288	1.7
250.09833	1.7
251.07024	3.5
252.07811	7.2
253.04813	0.5
253.08556	2.6
254.05737	2.2
254.09413	2.1
255.06473	2.2
255.10216	0.9
256.07263	1.3
257.04581	0.6
257.08060	1.3
261.09073	0.5
263.07031	2.0
263.10623	0.5
264.07816	1.8
265.08630	6.8
265.12216	1.4
266.06122	0.5
266.09381	3.1
267.06601	4.3
267.10184	12.6
268.07291	2.9
268.10721	1.5
269.08163	3.7
269.11755	1.9
270.05243	1.6
270.08688	0.7
271.06018	1.7
271.09293	0.8
272.06815	0.6
273.07181	0.5
274.64581	0.5
277.08621	1.7
278.09412	2.0
279.06592	1.6
279.09933	1.0
280.07318	4.1
281.04852	0.8
281.08112	4.2
281.11407	0.9
282.05563	0.8
282.08902	4.3
283.06024	1.2
283.09549	1.2
284.06790	3.6
284.10056	0.7
285.07562	4.6
285.10706	0.8
286.08261	2.0
287.09186	1.8
292.10989	0.7
293.08133	2.1
293.11749	1.3
294.08826	1.8
295.06094	1.8
295.09598	16.4
296.06808	2.1
296.10318	2.5
297.07584	4.0
297.11237	9.2
298.08319	1.4
298.11734	0.8
299.05695	0.8
299.09180	8.4
299.12747	1.3
300.06311	1.4
300.09824	1.5
301.07074	1.8
301.10638	1.8
302.07858	0.9
305.07971	0.9
307.09668	1.2
308.10489	1.0
309.07617	0.9
309.11285	1.4
310.08273	1.9
310.11591	0.9
311.09076	1.7
311.12451	0.9
312.06406	0.7
312.09860	1.4
313.07047	3.8
313.10696	1.8
314.07870	0.9
314.11465	1.3
315.08606	2.0
316.09393	1.1
316.36777	0.4
317.10226	0.9
319.09653	0.5
320.10211	0.6
321.07819	0.8
321.11337	1.2
323.09106	1.2
323.12833	1.0
325.07111	0.4
325.10684	12.8
325.14166	0.6
326.11389	2.6
327.08636	1.9
327.12292	5.3
328.09366	4.4
328.12909	1.0
329.06531	1.6
329.10184	4.2
329.13864	3.2
337.10724	1.2
339.12277	1.9
341.13971	1.3
342.10919	1.9
343.11679	0.7
344.08905	1.8
351.12286	1.6
352.12988	1.2
353.10098	0.7
353.13812	3.2
356.12491	0.7
357.13318	21.1
358.13824	1.4
359.11227	6.5
360.11414	0.6
361.10593	0.7
369.13174	0.7
371.14847	6.1
372.15317	0.5
377.09918	1.5
383.14896	3.5
391.11542	1.5
392.12183	5.3
393.12924	2.8
401.15927	33.7
402.16428	2.7
408.11832	0.8
423.14114	100.0
424.14459	8.4
441.15585	0.7
464.16867	1.0
527.25952	1.1
544.36786	0.6
545.17725	14.2
545.24884	0.9
545.35199	0.9
546.17834	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1991
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
64.24017	0.2
69.01173	0.9
69.01601	1.4
69.03419	0.7
73.74079	0.2
92.01974	0.2
107.04950	0.5
115.46501	0.3
121.06474	0.2
135.04419	0.4
137.05968	0.6
175.07660	0.2
179.96281	0.2
195.84648	0.2
203.05318	0.7
219.03076	0.3
251.74054	0.2
257.04449	0.3
276.37769	0.2
306.77023	0.3
329.06467	0.5
340.21420	0.3
347.07690	0.3
362.59247	0.3
365.13705	0.5
391.10324	0.7
446.57120	0.3
545.19922	100.0
546.20233	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1994
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
64.36005	0.2
71.30140	0.4
71.55661	0.2
91.05513	0.2
105.84505	0.3
153.79137	0.2
167.07042	0.3
187.03729	0.3
204.07570	4.1
231.09924	8.1
291.05859	0.2
369.13260	0.7
382.14005	0.6
383.14658	9.7
384.15054	0.7
399.14154	13.7
400.14743	0.8
494.95239	0.3
515.19110	0.7
545.19904	100.0
546.20276	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63482	0.2
53.03946	0.3
54.07344	0.3
55.05512	0.3
67.05486	0.3
67.11532	0.3
69.03436	1.8
69.07066	0.4
70.08430	1.1
72.14941	0.3
77.83215	0.3
79.05502	0.3
81.07072	1.4
83.01113	1.4
83.05001	0.4
85.02908	0.7
91.05493	0.8
91.24957	0.3
93.07073	0.7
95.01083	2.1
95.04949	0.5
95.08595	0.7
96.01884	1.2
97.02712	0.4
101.71887	0.3
103.05460	0.4
105.07046	1.2
107.04964	2.3
107.08619	0.7
109.06513	1.0
111.04354	0.3
111.08079	0.5
112.01354	0.7
113.02132	3.2
117.07015	0.3
119.08598	0.8
121.06519	0.5
123.08086	0.4
125.05931	0.3
126.02891	0.4
128.06232	0.5
129.06982	0.5
131.04901	0.7
131.08566	1.0
133.04977	0.3
133.06491	0.6
133.10117	0.5
135.08115	0.6
137.05994	3.3
139.03731	0.4
139.07594	0.7
141.06996	0.4
142.07813	0.5
143.08569	0.8
145.06491	0.5
145.10185	0.3
147.08066	0.7
149.05974	0.4
149.09636	0.4
155.08609	0.5
157.04752	0.8
157.06506	0.4
157.10149	1.1
158.07304	0.3
159.08073	1.0
159.11734	0.4
161.05978	1.9
161.09650	0.6
163.07607	0.5
167.03163	0.8
169.06506	0.3
169.10156	0.7
171.04227	0.6
173.09602	1.0
175.07585	1.0
175.11186	0.5
181.06541	0.3
182.07246	0.3
185.04233	5.6
185.05789	0.8
185.09613	0.6
186.06528	3.0
187.07495	0.6
187.11172	0.8
189.05244	0.3
189.09174	0.6
191.06990	0.4
195.08093	0.4
197.09663	0.7
197.13362	0.3
198.06898	0.4
201.03748	1.2
201.08902	0.4
203.05313	1.2
203.07027	0.3
213.09198	0.9
215.10759	0.4
219.06529	0.7
225.09189	0.3
225.12813	0.4
233.13271	0.3
233.15370	0.4
237.09280	0.3
237.13002	0.3
251.14281	0.3
253.12335	0.8
265.12314	0.4
270.38574	0.3
277.15945	0.4
317.08463	1.1
345.18665	0.3
347.16705	0.3
351.10510	1.1
363.19589	0.7
365.11972	1.4
375.19345	0.3
381.11472	0.7
383.14975	0.6
391.19089	1.8
409.19983	2.1
419.18494	0.7
421.20032	0.8
423.21957	0.5
433.20044	0.8
437.19232	3.5
439.12015	0.5
439.21243	1.1
445.20410	0.4
449.19571	0.7
451.21170	2.0
453.22595	0.3
455.20728	2.9
461.19589	0.4
463.21042	0.8
465.22858	0.4
467.20746	2.6
469.22348	0.4
479.20352	0.5
481.22424	1.6
485.21945	1.8
491.20575	0.6
497.21811	0.6
499.23376	1.7
509.21835	1.7
527.22455	0.8
530.18463	0.3
545.19971	100.0
546.20233	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1997
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
51.54523	0.6
52.97891	0.5
54.36843	0.5
66.03314	0.6
69.03430	3.7
77.60947	0.5
79.05503	1.5
81.07066	4.7
83.01089	0.7
83.04957	0.9
83.66933	0.6
91.05499	2.6
93.07070	2.3
95.01116	1.3
95.04996	0.8
95.08632	1.0
96.70789	0.6
97.06575	0.7
103.05515	0.7
105.07036	3.2
107.05006	1.0
107.08579	1.3
107.94804	0.6
109.06506	3.4
109.10165	0.6
111.08096	1.6
112.01364	0.8
113.02114	3.2
117.07052	2.1
119.04967	1.2
119.08613	2.1
119.16831	0.6
121.06554	1.8
123.08086	1.4
128.06245	1.2
129.07014	1.2
131.04970	0.9
131.08615	1.7
133.06538	1.2
133.10179	1.9
135.08070	1.4
137.06001	6.4
137.56543	0.7
139.07579	1.7
141.07021	1.2
142.07857	0.9
143.08621	2.6
145.06540	1.5
145.10156	2.1
147.04417	0.8
147.08104	1.1
149.06053	0.9
149.09636	0.7
154.07851	0.7
155.08612	2.4
157.04802	0.7
157.10199	2.0
158.89011	0.5
159.08115	2.5
159.11772	1.2
161.06041	1.6
161.09654	1.5
163.07582	0.9
167.08575	1.0
169.10167	2.4
171.08089	1.2
172.08878	0.6
173.09692	2.0
175.07500	1.3
175.11169	1.1
177.09178	0.9
183.11829	0.6
185.04230	4.8
185.09669	0.9
185.13443	0.7
186.06549	6.1
187.07564	1.7
187.11241	1.6
189.09187	2.0
197.13338	1.0
201.03802	1.5
202.06071	1.4
203.05280	11.7
211.11185	1.1
213.09099	1.2
213.12738	0.6
215.10672	0.8
225.09384	0.6
225.12750	1.0
229.12178	0.7
230.02585	0.5
237.12892	0.7
239.14430	0.7
255.13930	0.7
315.16840	0.6
317.08536	1.3
335.12701	1.2
365.13281	0.8
383.14630	1.0
391.19235	1.8
403.19254	1.0
409.20462	1.1
421.19870	2.7
427.21301	0.9
437.18753	2.7
439.21310	1.9
447.21759	0.9
449.19641	3.0
451.20572	1.1
455.20651	1.8
463.21274	2.1
465.22839	2.3
467.20639	5.7
481.22437	1.5
485.21780	16.2
486.22202	1.9
491.20871	2.5
499.23413	2.4
509.21930	2.3
527.21790	1.1
545.20068	100.0
546.20453	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31563	0.2
79.05510	0.2
121.06566	0.3
139.03891	0.4
147.08069	0.2
149.87672	0.2
156.03883	0.3
159.04109	0.4
161.11110	0.2
167.07028	0.4
170.12486	0.2
187.03766	0.3
189.05266	0.4
195.08179	0.2
195.68871	0.3
201.05327	0.3
204.07596	5.4
205.08162	0.3
218.05594	0.3
231.09921	8.1
232.10237	0.3
233.42752	0.2
365.13229	0.3
369.13132	1.3
382.13956	0.6
383.14645	9.6
384.15027	0.4
399.14127	19.2
400.14456	1.1
501.23682	0.7
515.18732	0.5
527.21881	0.4
545.19873	100.0
546.20276	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.7
56.75590	0.5
57.11511	0.5
67.05493	0.8
69.03436	3.9
69.07059	0.5
70.46375	1.1
70.46713	0.7
79.05493	2.7
81.07059	6.2
83.01093	1.1
88.00197	0.5
91.05489	2.7
93.07061	2.3
95.01110	2.1
95.04993	0.9
95.08608	1.5
96.01846	0.9
97.02861	0.9
103.05477	0.9
105.07052	2.5
107.04980	1.1
107.08615	1.8
108.73874	0.5
109.06524	3.0
110.78963	0.5
111.08096	1.1
113.02146	2.3
117.07034	1.8
119.04916	0.6
119.08603	2.1
121.06527	1.6
121.10179	0.5
123.08058	0.9
128.06207	0.8
129.07057	2.0
131.04933	0.9
131.08592	1.8
133.06505	1.2
133.10188	1.7
135.08095	1.4
137.05971	7.4
139.07568	1.6
141.07039	1.4
142.07794	0.8
143.08530	2.4
145.06549	1.0
145.10156	1.7
147.04506	0.8
147.08105	1.3
149.06029	0.6
151.07585	0.5
154.07790	0.8
155.08617	2.0
157.10185	1.6
159.08055	2.5
159.11758	1.2
161.05995	1.6
161.09668	2.1
163.07596	1.5
167.03223	0.6
167.08664	0.9
168.62675	0.5
169.10190	2.2
171.04179	0.7
171.08075	0.5
171.11708	0.8
173.09627	2.5
175.07629	0.9
175.11208	1.4
179.07047	0.6
179.08571	0.7
181.10214	0.5
183.11766	1.2
185.04248	4.9
185.05771	0.8
185.09686	1.5
185.13310	0.6
186.06505	5.8
187.07559	1.1
187.11183	2.6
189.09163	1.6
191.10526	0.5
195.08009	0.7
195.11740	0.7
197.09596	0.7
199.11302	0.7
201.03760	1.6
201.09085	1.2
201.12859	0.8
202.06107	1.4
203.05275	9.1
203.10651	0.6
211.11354	0.7
213.09111	0.7
215.10699	0.7
219.11812	0.6
221.13129	0.5
225.12794	1.0
229.12314	0.6
235.16953	0.6
237.12842	1.0
241.12312	0.8
249.12816	0.7
253.12180	0.8
261.16049	0.6
304.14243	0.5
317.08478	1.2
335.12497	1.0
365.12653	0.9
391.19162	0.9
393.20718	1.0
403.18881	1.2
409.20154	1.9
421.20108	1.6
427.21265	1.0
431.18591	0.8
437.19690	2.2
439.20929	2.7
445.20078	0.5
449.19699	2.6
451.20453	1.5
455.20938	1.7
456.81403	0.6
463.20969	1.4
465.22794	2.0
467.20535	5.1
469.21939	0.5
481.22083	1.5
483.23962	1.5
485.21729	15.4
486.22125	1.7
491.20743	4.4
499.23318	1.9
509.21280	2.3
527.22491	1.3
545.20007	100.0
546.20453	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74656	0.5
55.05519	2.5
61.37464	0.5
66.76797	0.5
69.56222	2.8
79.05499	0.6
81.07056	0.7
83.04974	4.4
123.08102	0.6
133.10150	0.7
151.29237	0.6
170.63911	0.6
172.78862	0.5
179.21490	0.5
183.07982	0.6
225.16093	0.5
237.09219	0.6
255.06606	1.0
265.08490	0.5
267.10141	0.8
278.09467	1.2
279.09906	0.6
282.09027	0.9
283.06146	0.8
285.07748	1.4
287.09235	0.6
295.09750	1.1
297.07675	0.8
297.11060	0.7
298.08417	3.5
299.09079	1.3
307.09515	1.0
312.10037	0.8
313.10864	2.3
314.07877	0.6
314.11383	0.8
315.08856	0.9
315.12347	2.9
319.95782	0.6
321.07629	0.8
321.11301	1.6
325.10788	1.0
326.08023	1.0
327.12231	0.8
337.10754	0.9
337.14420	0.8
338.07666	0.7
341.10187	5.6
351.08347	3.6
351.12405	1.3
353.13959	1.3
355.15308	0.6
357.13580	0.9
369.17203	1.9
383.14877	3.1
386.17621	0.7
401.15811	2.2
401.20380	3.8
423.14117	23.4
424.14380	1.7
478.26257	0.6
483.23718	2.9
499.16986	0.6
515.16449	0.7
545.21503	100.0
546.21936	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30084	0.5
53.03946	2.3
55.05517	1.0
65.03941	1.0
67.05493	2.3
69.02089	1.2
69.02492	4.4
69.03431	10.0
69.07066	0.7
79.05492	14.7
81.03395	0.5
81.07056	86.9
82.07390	2.3
91.05486	5.0
91.09792	0.5
93.07041	2.4
95.04971	1.9
95.08601	4.1
105.07014	3.2
107.08588	2.0
109.02923	0.6
109.06522	22.1
111.11887	0.5
115.05444	1.2
117.07004	2.2
119.04967	0.9
119.08582	2.4
121.06496	1.3
123.04491	0.6
123.08067	2.0
128.06242	0.9
129.06981	1.3
130.07755	0.5
131.08572	1.5
133.06464	0.7
133.10127	0.7
135.08057	1.9
137.05975	100.0
138.06305	2.6
141.07001	1.2
142.07848	0.9
143.08554	2.1
145.06477	2.4
145.10123	1.1
147.04488	0.5
147.08041	3.3
149.05974	0.9
149.09612	1.0
151.07567	1.4
155.08513	1.7
157.06493	0.7
157.10144	2.1
159.08052	2.4
159.11668	0.8
161.09619	2.2
163.07523	2.5
165.05478	0.6
165.06912	1.1
167.08519	1.1
169.10167	1.4
171.08038	1.7
171.11847	0.5
173.05942	0.6
173.09598	3.9
174.10429	0.7
175.07544	1.8
175.11150	2.5
179.08554	0.8
181.10127	1.8
182.07248	0.7
183.08093	0.7
183.11597	0.6
185.09567	1.8
187.07462	0.6
187.11153	1.7
188.08121	0.6
189.09085	1.9
191.07091	1.1
193.10175	1.1
195.11711	0.8
197.09605	1.2
199.11079	0.9
201.09116	0.9
201.12752	0.8
203.06973	1.0
203.10643	1.2
209.09537	0.9
209.13113	0.9
211.11266	1.2
213.12698	1.3
217.08534	0.7
219.10100	1.1
223.11163	0.9
225.08829	0.7
225.12744	1.3
227.10612	0.6
227.14304	1.0
231.10072	2.8
234.27197	0.5
237.12793	0.7
239.10680	0.7
239.14316	1.2
255.13774	0.9
265.12277	0.7
267.13675	1.5
269.15381	0.6
271.13376	0.9
281.15176	0.7
283.13483	0.7
291.13736	0.8
295.16946	0.6
297.14908	1.1
301.14459	0.6
313.14136	0.7
325.17831	0.7
327.15793	0.7
328.16702	0.7
343.15460	0.6
373.16516	0.9
391.18405	1.0
393.20557	1.0
405.20520	3.4
418.43201	0.6
419.18323	1.5
421.20026	1.5
423.21646	0.9
426.15610	0.6
433.20071	3.1
435.21408	1.4
437.19366	2.0
447.21371	1.4
449.19077	1.2
451.20996	1.2
463.20944	1.0
465.22491	1.2
479.20343	1.4
481.22070	0.6
483.23453	2.3
491.20483	1.8
499.22296	0.7
509.21378	1.7
527.15521	0.8
527.22711	10.3
528.22797	1.3
545.17389	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10830	0.6
53.03947	1.8
53.10689	0.5
55.01868	1.0
55.05505	1.5
65.03946	1.0
67.05512	2.7
69.03427	10.0
69.07076	1.0
71.04981	1.0
71.30489	1.0
79.05494	16.0
81.03434	0.9
81.07056	88.5
82.07378	1.8
83.04960	0.9
85.02896	1.1
91.05479	6.3
93.07033	4.1
95.04991	2.6
95.08595	4.1
97.06535	0.7
99.04443	0.7
104.71207	0.5
105.07036	4.2
107.04942	0.9
107.08615	2.7
109.06516	24.4
109.10181	0.9
110.06818	0.7
111.04411	1.0
111.08151	0.8
115.05469	1.3
117.07040	2.8
119.04945	1.2
119.08574	4.0
121.06497	2.5
121.10127	1.5
123.04414	1.6
123.08060	1.0
128.06206	2.1
129.05540	0.8
129.07008	3.1
130.32712	0.5
131.06967	0.6
131.08578	3.6
133.06470	1.2
133.10165	3.0
135.08038	1.6
135.11687	0.7
137.05975	100.0
138.06300	2.2
139.07515	1.2
141.06976	1.5
142.07767	2.0
143.08582	3.8
145.06468	1.5
145.10107	3.2
147.08034	2.0
147.11670	1.5
149.09680	1.4
149.29774	0.6
153.05455	1.5
155.08533	5.0
156.09314	0.8
157.10133	3.4
158.07309	0.7
159.08047	3.2
159.11681	1.8
161.09618	3.0
163.07506	1.8
163.11186	0.6
165.07030	1.6
167.08546	0.7
169.10188	2.9
171.08057	3.1
171.11684	1.2
172.08614	0.6
173.09613	3.9
174.10446	1.5
175.07567	1.0
175.11171	3.5
177.86377	0.6
178.07784	1.0
179.08693	1.2
181.10106	1.4
183.08157	1.0
183.11671	1.5
185.09612	3.5
187.07530	1.0
187.11186	3.5
188.11877	0.9
189.09081	1.5
189.12552	0.8
191.07013	0.9
192.09344	1.1
193.10201	1.0
195.11684	1.8
196.08734	0.7
197.09650	1.2
197.13254	1.1
199.07561	1.0
199.11108	1.3
201.09148	1.2
201.12808	0.8
203.10712	1.6
204.09483	0.7
207.11717	1.8
209.09561	0.9
209.13295	0.9
211.11115	1.3
213.09109	1.5
213.12759	1.4
214.09885	1.6
215.10660	0.9
215.14392	0.7
217.08536	1.1
219.11768	0.7
221.09634	0.8
223.11188	1.0
223.14874	0.7
225.12636	1.4
227.10701	0.8
227.14137	0.7
231.10037	1.4
237.12695	0.7
239.14282	0.9
241.12196	0.8
249.12965	0.6
251.14119	0.6
253.12169	0.7
255.13770	0.6
265.12088	0.6
265.15915	0.8
277.15796	0.8
279.13675	0.7
281.15359	1.0
283.13214	0.7
291.13483	0.7
297.03937	1.4
297.14703	0.9
299.16452	1.2
309.14847	1.2
313.14450	0.7
315.15848	1.3
319.13388	0.9
327.15753	0.8
328.16553	0.9
354.14163	0.8
355.15274	4.3
373.16483	7.8
393.20639	0.7
399.10544	1.9
405.20367	1.4
409.19885	2.3
417.20081	0.6
419.17896	0.7
421.20193	4.0
428.51889	0.6
433.20160	2.6
435.21390	2.5
437.19186	1.4
438.19696	0.7
439.20972	1.3
445.19324	1.2
445.24512	0.7
447.21494	1.1
451.21155	6.8
452.21597	1.0
453.22498	1.2
455.19739	1.1
463.20822	2.4
465.22449	2.1
467.20316	0.6
473.18918	0.8
481.22162	2.8
483.23392	1.0
485.21609	0.8
491.19977	3.5
509.21381	2.0
527.22754	2.1
544.32062	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2384
Annotation	Lancifodilactone I
Peak:m/z	Relative Intensity
53.03945	1.4
55.01886	0.5
55.05509	0.7
57.03434	0.4
65.03932	1.3
66.04705	0.5
67.05509	2.5
67.84323	0.3
68.99784	0.5
69.03426	11.1
69.07058	0.3
70.52297	0.3
70.52630	0.6
79.05492	17.1
81.03448	0.5
81.07054	93.7
82.07371	1.7
83.04973	0.8
85.02901	0.5
87.90678	0.3
91.05479	6.4
93.07027	2.7
95.04976	3.2
95.08601	3.2
97.02870	0.8
97.06541	0.7
103.05469	0.4
104.64209	0.3
105.07022	4.3
107.04956	0.9
107.08590	3.3
109.02902	0.4
109.06516	25.5
109.10163	0.9
110.06812	0.4
111.04413	0.6
111.08052	0.6
115.05435	1.0
116.06212	0.4
117.07010	2.7
119.04933	1.6
119.08581	2.7
121.06496	2.2
121.10106	0.9
123.04429	0.8
123.08060	2.6
125.05975	0.5
128.06227	1.6
129.06998	3.0
130.07771	0.3
131.04941	0.5
131.08562	3.8
133.05608	0.4
133.06473	2.1
133.10109	1.2
135.04434	0.5
135.08037	3.2
137.02376	1.2
137.05972	100.0
138.06302	3.7
139.03929	0.7
141.06992	1.3
142.07748	1.0
143.08528	3.3
145.06462	3.0
145.10139	2.4
146.07239	0.7
147.08064	3.6
147.11629	0.5
149.06004	1.0
149.09572	1.1
151.07524	1.6
153.05453	0.9
153.06985	0.6
154.07750	0.4
155.07385	0.3
155.08569	2.6
156.09375	0.6
157.06479	1.0
157.10110	2.7
158.07219	1.0
159.08051	9.0
159.11670	1.5
160.08868	2.2
161.05948	0.5
161.09627	2.9
163.07509	2.0
163.11140	0.6
165.06975	0.5
166.07819	0.5
167.07111	0.6
167.08542	1.5
168.09320	0.6
169.10126	2.7
171.08078	2.7
171.11653	1.0
172.08803	1.5
173.09628	5.0
174.10376	1.3
175.07512	1.2
175.11185	3.0
177.05397	0.8
177.09090	0.4
178.07745	0.4
179.07051	0.7
179.08607	0.8
180.09315	0.5
181.06485	0.4
181.10059	1.8
183.08051	1.3
183.11702	1.5
184.08713	0.4
185.06007	0.4
185.09610	3.3
186.10196	0.6
187.07518	1.0
187.11194	2.3
189.05508	0.4
189.09125	1.6
189.12778	0.4
191.06999	1.3
191.08569	0.5
191.10641	0.9
192.09381	0.5
193.08563	0.6
193.10123	1.4
194.10799	0.4
195.07982	0.5
195.11693	1.5
196.08493	0.4
196.12498	0.3
197.09595	1.9
197.13203	0.7
198.10280	0.5
199.07529	1.1
199.11179	1.9
199.14796	0.5
200.11818	0.4
201.09007	1.0
201.12738	0.5
203.06931	0.7
203.08759	0.5
203.10670	1.2
205.08488	0.6
205.10176	0.9
205.12085	0.4
207.11693	0.9
209.09593	1.6
209.13249	1.0
210.10451	0.4
211.11130	2.5
212.11829	0.5
213.09079	1.6
213.12688	2.2
215.10655	1.1
217.08525	2.6
217.12064	0.6
217.15869	0.6
219.10098	6.8
220.10834	1.2
221.09540	0.5
221.13235	0.9
223.11186	1.2
223.14769	0.5
225.09132	0.6
225.12775	1.7
227.10594	1.0
227.14378	1.8
229.12111	0.6
231.10100	1.3
233.13429	0.6
235.11153	1.1
235.14804	0.8
236.11951	0.4
237.12737	1.0
239.10678	0.7
239.14236	1.2
241.12120	0.7
243.10123	0.4
243.13795	0.5
249.12675	1.0
251.10570	0.6
251.14224	0.8
253.12105	0.9
253.15869	0.7
254.12941	0.5
255.13742	1.5
257.11569	0.6
259.13202	0.5
263.14352	0.4
265.12143	0.5
265.15909	0.7
267.13773	1.1
269.11804	0.4
269.15338	0.7
271.13229	1.1
271.16711	0.5
279.10059	0.5
279.13617	0.9
281.15210	1.1
283.13205	1.0
283.16736	0.7
285.11301	0.5
285.14771	0.9
291.13727	0.5
295.13333	0.6
297.03888	0.7
297.11868	0.4
297.14877	4.4
299.16379	0.8
300.13663	0.5
301.14224	1.7
309.14673	1.3
311.16400	1.3
313.14252	1.1
315.15891	2.7
317.17209	0.6
325.14456	0.5
327.15958	2.6
329.13776	0.4
329.17401	1.7
331.15326	1.5
337.14197	0.8
343.15402	12.5
344.15549	0.5
355.10959	0.6
355.15369	13.0
356.15619	1.5
359.15103	0.4
359.19675	0.4
360.15677	0.6
361.16354	0.7
373.16479	4.8
374.16803	0.7
383.27649	1.8
389.21014	0.4
390.16678	0.5
391.18695	3.5
403.18799	0.9
405.20432	1.2
407.22153	0.4
415.19153	0.5
419.18387	4.6
420.18726	0.6
421.19980	0.8
423.21616	1.0
431.18173	1.0
433.20251	2.8
435.21552	0.5
437.19467	7.2
438.19775	1.0
445.20050	0.5
447.21576	0.9
449.19547	2.9
451.21158	9.7
461.19025	0.8
463.20813	0.9
465.22781	0.5
467.20346	1.0
469.21869	1.1
473.19308	1.0
479.20575	2.1
481.21777	0.8
491.20532	2.4
497.21872	2.4
509.21664	2.1
510.21176	0.4
511.22729	0.3
527.22705	2.3
545.24811	2.1
545.32599	2.0
546.24847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2383
Annotation	Taxuspinanane C
Peak:m/z	Relative Intensity
53.03934	1.1
66.86975	0.9
67.05496	2.5
69.03443	5.1
70.36781	2.9
79.05504	7.9
81.07059	45.9
91.05498	5.7
93.07040	4.5
95.04967	3.5
95.08611	2.3
97.02882	1.7
97.06532	1.1
105.07072	5.3
105.07662	1.0
106.82681	1.0
107.04955	1.5
107.08627	2.3
109.06522	19.0
111.04424	2.1
111.08058	2.6
115.05502	1.8
117.06997	5.9
119.08585	3.9
121.06509	2.1
123.04442	1.2
123.08079	3.4
128.06235	2.2
129.07036	4.7
130.07770	1.2
131.04901	1.2
131.08580	5.4
133.06467	1.4
133.10121	1.8
135.08043	2.7
137.05977	52.3
138.06281	1.2
139.07518	1.5
141.06985	3.1
142.07822	1.8
143.08559	8.6
145.06522	2.3
145.10091	4.9
146.07253	3.0
147.08076	5.0
148.04579	0.9
149.05986	1.1
149.09650	2.1
151.07555	1.2
153.06981	1.3
154.07774	3.7
155.08539	7.2
156.09195	1.4
157.10144	2.1
159.08069	17.7
159.09380	1.7
159.11670	3.1
161.09619	2.9
163.07565	1.8
163.41183	1.1
164.57730	0.9
165.06917	1.3
167.07158	1.0
167.08549	2.7
168.09373	1.7
169.10144	7.7
171.08055	3.2
171.11722	1.5
172.08836	3.2
173.05930	1.4
173.09628	10.6
174.10379	2.4
174.13876	1.0
175.07570	2.7
175.11203	3.9
177.09135	2.0
179.08527	2.4
181.10133	2.0
183.07983	1.9
183.11662	1.6
185.09621	6.4
185.13330	2.3
187.07561	1.7
187.11159	12.0
189.09143	6.5
193.08612	3.1
193.10168	2.0
195.11755	4.1
197.09610	3.9
199.11116	1.5
201.09113	3.9
205.08574	1.4
207.11754	1.5
209.13216	1.6
211.11301	4.6
213.12784	3.0
215.10684	2.8
219.10167	4.2
221.09705	2.7
221.13210	2.4
222.10397	1.8
223.11240	4.0
225.09172	2.0
225.12679	1.6
227.10736	2.6
227.14172	1.7
229.12305	2.3
237.12721	3.3
239.10686	2.3
239.14220	2.0
241.12306	4.7
243.10057	1.6
246.10445	1.5
247.11247	2.3
249.12646	1.5
251.10545	1.9
251.14389	1.8
255.10052	1.2
255.13771	2.5
257.15283	1.0
261.12753	2.0
264.11417	1.4
265.12173	4.4
266.12985	2.2
267.13699	1.7
281.15506	1.4
283.13202	1.6
284.14072	1.3
301.14218	1.3
332.68668	1.0
343.15759	1.7
373.16061	1.1
379.19052	1.4
392.23840	1.0
403.19043	2.6
421.20068	5.1
431.18466	3.4
433.20584	1.2
437.23328	3.0
445.20181	1.3
447.21164	2.4
449.19510	10.5
463.20847	5.7
465.22791	5.3
466.22473	1.1
467.20700	14.4
468.21704	1.1
474.84848	1.2
481.22327	1.4
483.23822	4.5
485.21722	100.0
486.21933	8.2
491.20599	8.8
492.21014	1.3
509.21747	19.8
510.21533	1.9
527.22498	4.4
545.23804	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
62.08274	1.4
67.05510	2.3
67.74482	1.4
69.03427	44.0
69.07050	1.9
69.39671	10.0
71.04988	3.3
72.05804	1.6
72.21564	1.6
75.14488	1.6
79.05492	6.1
80.05821	1.7
81.07062	11.7
83.04973	1.6
85.02916	2.9
86.38522	1.5
91.05480	11.3
93.07032	6.2
95.04961	14.0
95.08601	5.6
97.02897	1.9
97.06516	6.5
98.23309	3.4
105.07024	17.7
107.08592	5.1
109.06523	28.0
111.08077	21.7
115.05464	1.8
117.07000	5.5
119.08595	8.7
121.06517	5.6
121.10114	3.3
123.08092	5.8
125.06033	1.7
128.06235	3.0
129.07002	4.0
131.08543	6.4
133.06462	8.3
133.10127	5.7
135.08055	10.0
137.05971	11.7
137.83961	1.7
139.07559	16.8
141.07034	3.3
141.39139	1.7
142.07683	3.7
143.07338	1.6
143.08516	8.0
145.06483	6.1
145.10069	8.9
146.07126	1.6
146.26198	1.9
147.08035	11.2
147.11626	2.2
149.05951	2.7
149.09592	3.9
153.05438	4.7
155.08546	4.9
157.10144	4.3
159.08044	10.9
159.11740	2.7
161.05984	22.4
161.09625	8.3
163.07518	2.5
165.06999	2.5
167.08624	2.6
168.09460	2.6
169.10136	6.0
171.08028	3.4
171.11702	3.6
171.49051	1.5
173.09619	14.2
175.07541	3.9
175.11188	5.6
177.09087	2.7
179.08575	1.8
181.08549	1.6
181.10136	3.8
183.11705	3.5
185.09595	7.7
185.13257	2.2
187.11163	5.5
189.09076	5.2
189.12764	2.1
193.10103	3.2
195.08134	2.4
195.11703	4.6
197.09677	4.5
199.11160	6.4
199.14824	4.8
201.09091	4.5
201.12772	2.6
202.39195	1.6
203.10736	2.6
205.08513	2.7
205.10262	1.8
207.11745	3.4
209.09679	2.7
209.13390	3.1
211.11189	5.5
213.09099	5.0
213.12735	3.0
215.10663	3.7
217.15845	7.9
218.11018	2.0
219.11795	3.2
220.12517	1.5
221.09610	3.8
221.13234	2.4
222.10513	1.7
223.11244	4.6
225.09268	2.2
225.12717	9.4
227.10672	4.5
229.12253	3.6
231.11632	2.3
233.13342	2.1
233.15456	1.8
235.07460	1.9
235.11252	3.4
237.12759	4.7
238.13507	2.1
239.10577	3.0
239.14310	3.9
241.12164	2.8
247.11153	3.5
248.11908	2.8
249.12628	2.2
251.10725	4.1
251.14326	3.4
253.12265	19.1
254.12630	2.5
255.13887	2.9
260.11856	2.2
261.12692	2.5
263.14243	2.0
265.12238	5.8
265.15613	3.2
267.13879	2.2
267.17285	1.9
271.13284	2.9
274.13547	1.8
279.13684	2.6
281.11731	2.7
283.13678	2.0
285.11252	1.9
289.15845	3.2
303.13867	1.9
305.15173	2.1
307.16965	2.7
321.14902	2.6
321.18420	2.5
327.17072	1.9
335.16440	2.6
345.18530	6.1
347.20111	2.1
349.17795	4.5
363.19562	30.8
364.20032	2.7
373.17914	9.1
375.19604	3.7
381.20676	6.7
391.19006	74.6
392.19254	4.8
393.20697	2.9
401.17114	2.2
403.18884	6.5
405.20685	3.2
409.20050	77.7
410.20255	6.9
417.20395	2.1
419.18362	22.4
421.20087	18.3
431.18674	2.7
431.78992	1.7
437.19513	94.3
438.19977	8.8
439.21054	19.7
445.20145	2.2
447.21524	2.5
449.19632	11.8
451.21024	8.8
455.20636	100.0
456.20715	11.8
463.21103	15.9
465.22534	2.9
467.20657	55.0
468.21091	4.3
469.22070	4.4
481.22144	32.8
482.22443	2.7
483.23489	2.4
485.21692	55.0
486.21829	4.4
491.20346	6.3
499.23303	58.3
500.23483	4.6
509.21494	11.6
527.22614	8.5
545.23700	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
67.05502	2.4
69.03066	1.5
69.03429	11.4
71.09212	1.6
79.05493	15.4
81.07059	91.8
82.07392	2.8
91.05479	5.9
93.07039	1.9
95.04980	2.0
95.08614	1.6
105.04511	0.9
105.07033	3.7
107.08593	2.7
109.05775	1.4
109.06530	24.0
111.04447	1.4
115.05450	1.0
117.07011	2.4
119.08575	2.1
121.06490	2.2
123.04414	1.6
123.08086	1.6
128.06206	1.5
129.07016	2.7
131.08563	3.3
133.06471	2.5
133.10097	1.2
135.08049	1.6
137.05980	100.0
138.06337	2.9
141.07005	2.0
142.07802	1.2
143.08537	4.6
145.06514	2.6
145.10176	2.7
147.08018	2.2
147.11638	1.0
151.07556	1.5
153.06982	1.3
154.07860	1.3
155.08585	6.5
157.10133	2.2
159.08046	4.9
159.09215	1.2
159.11668	1.7
161.09631	2.7
163.07526	1.4
167.08466	1.9
169.10143	4.0
171.08051	2.3
172.08846	1.2
173.09645	4.0
175.07492	1.4
175.11166	2.0
177.09195	1.3
179.08588	2.4
181.10072	1.6
183.07979	1.7
183.11662	2.0
185.09633	3.4
187.07599	1.4
187.11201	2.9
189.09193	3.7
195.07979	1.6
195.11737	1.1
197.13231	1.2
199.11150	1.7
201.09149	1.3
203.10687	3.5
205.08527	1.4
207.11716	1.0
209.09628	1.6
209.13307	1.7
211.11250	1.3
213.09088	1.4
213.12794	2.0
219.10077	2.2
223.11124	1.5
225.12805	1.7
227.10765	1.3
227.14290	2.6
231.10158	4.2
237.12743	1.4
239.14337	2.2
247.11382	1.2
253.12245	2.0
255.13495	1.4
263.12711	1.1
265.12149	1.4
267.13800	1.3
271.13376	1.0
274.97476	1.0
283.13239	2.0
297.14807	1.8
298.78159	1.0
315.15994	2.4
327.16129	1.5
343.15393	2.6
345.17447	1.0
355.15482	2.9
391.18216	2.1
405.20639	5.3
406.21042	1.6
407.21606	1.2
409.20016	1.2
417.20618	1.9
419.18039	1.9
420.18533	1.6
421.20197	1.2
431.18552	2.0
433.20132	1.7
437.19653	5.4
445.20145	1.5
449.19794	2.1
451.21078	3.5
463.20660	2.4
465.22726	1.1
467.20490	3.2
469.22116	3.4
481.21951	2.1
485.21704	31.2
486.21924	2.4
491.20328	1.3
499.23209	2.0
509.22122	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2379
Annotation	Taxuspinanane C
Peak:m/z	Relative Intensity
51.02366	0.4
53.03953	0.8
55.01860	0.8
55.05493	0.6
57.03434	0.5
65.03941	0.4
67.05515	2.3
69.03431	4.6
69.07074	0.6
69.63766	1.7
79.05495	2.1
81.07059	5.3
83.05000	0.7
91.05485	3.8
93.07047	5.4
95.04957	2.0
95.08611	4.5
97.02868	1.1
97.06520	0.9
103.05468	0.8
105.07018	5.9
106.07333	0.4
107.04964	1.1
107.08588	2.6
109.02888	0.5
109.06522	3.7
109.10112	0.8
111.04465	0.5
111.08074	3.0
115.05473	0.9
117.06998	3.0
119.04952	0.8
119.08559	3.3
121.06496	4.2
121.10127	0.8
123.04395	0.7
123.08053	2.1
125.05935	0.6
127.03979	0.4
128.06236	1.3
129.06981	3.4
130.07784	0.4
131.04915	1.1
131.08574	4.6
133.06541	1.1
133.10136	4.2
135.08043	3.4
135.11711	0.4
137.05971	7.1
137.09610	0.6
138.06337	0.4
139.07509	3.3
141.06989	1.9
142.07799	1.5
143.08575	3.7
145.06516	1.8
145.10124	4.5
146.07275	0.6
147.08070	2.6
147.11716	1.4
149.05981	1.5
149.09546	1.8
151.07550	0.8
153.05591	0.4
153.07008	0.7
154.07791	1.2
155.08548	4.3
157.06493	1.1
157.10129	3.4
158.07292	0.6
159.08081	4.1
159.11694	4.4
161.05972	2.0
161.09634	5.2
163.07573	1.1
163.11258	0.6
165.05589	0.5
165.07018	1.1
167.08530	2.1
168.09315	0.5
169.10144	3.7
170.07207	0.5
171.08003	2.0
171.11716	1.4
172.08865	0.9
173.06050	0.4
173.09593	4.2
175.07584	1.7
175.11179	1.7
177.09117	1.4
179.08578	0.9
180.09322	0.7
181.10097	1.4
183.08055	0.6
183.11722	1.1
185.04269	0.4
185.09631	3.8
185.13254	0.7
186.06541	0.6
186.10219	0.8
187.07584	1.5
187.11195	4.9
189.09052	3.1
189.12787	0.6
191.10742	0.6
193.10098	0.7
194.11063	0.5
195.08102	0.7
195.11723	1.3
197.09637	1.7
197.13258	0.7
199.07524	1.0
199.11183	1.7
199.14845	0.9
201.09097	1.1
201.12749	0.7
203.05249	1.0
203.10632	0.9
205.10297	0.5
207.10071	0.8
207.11760	1.0
209.09708	0.9
209.13332	1.4
211.11131	1.9
213.09146	2.6
213.12766	1.1
214.09727	0.5
215.10623	0.6
217.12173	0.5
219.06557	1.3
219.11758	0.8
221.09627	0.7
223.11203	1.2
224.11708	0.5
225.09099	1.1
225.12634	2.0
226.13377	0.5
227.06989	0.6
227.10745	0.8
227.14287	1.1
229.12273	1.0
231.11880	0.6
233.13345	0.6
235.11200	1.1
235.14879	0.5
235.16922	1.4
236.11847	0.6
237.12666	1.9
239.10670	1.0
239.14270	0.8
241.12206	1.0
243.09938	0.4
245.15524	0.5
247.11328	0.7
247.14905	0.6
249.09152	0.5
249.12694	1.3
251.10706	0.8
253.12204	1.6
254.13022	1.7
255.13852	1.8
256.14532	0.5
257.11740	0.7
263.14224	0.7
265.12238	1.7
265.15561	0.4
267.13959	0.8
273.12787	0.5
277.15976	0.8
281.15637	0.5
283.13409	1.2
289.11990	0.6
301.15463	0.4
303.12433	0.5
305.15131	0.5
317.15451	0.6
319.17059	0.7
329.18939	0.6
335.12457	0.6
343.16455	0.4
347.20059	1.1
357.18311	0.6
358.58258	0.5
365.21329	0.6
375.19434	2.1
385.17914	1.2
391.19308	0.7
393.20828	2.6
403.19064	3.7
409.20160	0.8
411.21719	1.2
413.17331	0.4
421.20096	8.8
422.20496	1.3
431.18518	1.7
433.20074	0.8
435.21591	0.4
437.19360	1.7
439.21017	9.9
440.21353	0.8
449.19635	5.8
451.21021	2.9
452.21033	0.5
453.22385	0.9
455.20096	0.8
457.21857	1.1
463.20981	2.0
465.22665	0.7
467.20642	12.9
468.20685	1.3
479.20563	1.3
481.22073	1.6
485.21692	100.0
486.11032	0.6
486.22049	8.9
491.20425	2.7
497.21506	3.0
499.23373	2.5
509.21204	2.9
527.22339	2.4
545.22925	14.2
546.23859	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2385
Annotation	(2'S,3'R)-13'-Deoxy-2',3'-epoxy-2',3',7',8'-tetrahydro-13'-oxosatratoxin H
Peak:m/z	Relative Intensity
53.03942	2.2
55.01880	1.4
57.03445	1.9
58.62199	1.1
66.31141	1.3
66.94303	1.1
67.05497	2.5
67.85326	0.9
69.03432	11.6
69.07902	7.4
69.08308	2.3
73.02923	1.5
79.05490	15.9
81.07059	87.8
82.07412	1.8
83.05009	1.6
85.02896	2.9
87.79374	1.2
91.05472	5.4
92.05905	1.2
93.07043	3.4
95.04967	3.6
95.08623	4.9
97.02906	2.8
98.23445	2.3
105.07044	3.3
107.04976	2.2
107.08592	4.0
109.06512	25.0
109.10126	1.6
111.08076	1.1
114.44574	1.2
115.03979	1.5
117.06982	2.0
119.08597	5.4
121.06519	2.0
121.10136	1.7
123.08056	4.3
129.07022	1.7
131.08572	3.1
133.06514	2.0
133.10173	2.4
135.08072	4.2
137.05974	100.0
138.06320	3.5
139.07564	1.7
142.07733	1.5
143.08588	1.7
145.06506	2.0
145.10117	2.2
147.08076	3.2
151.07556	2.6
153.07085	1.2
153.83313	1.3
155.08522	1.9
157.10132	2.9
159.08055	3.8
161.09624	3.7
163.07553	3.1
165.09061	1.2
171.08092	1.5
173.09691	2.2
175.07516	1.7
175.11171	2.8
185.09697	2.2
187.11192	1.7
189.09181	2.3
189.16388	3.2
191.10719	1.6
193.10074	1.4
195.11694	1.7
199.11227	2.1
203.10669	4.6
207.11678	1.7
211.11128	1.7
213.12901	1.6
217.15967	1.5
221.13315	1.7
223.11015	1.4
225.12744	1.4
227.14345	2.2
229.12202	1.9
232.32576	1.2
235.11070	1.4
235.16982	3.1
237.12488	1.3
241.12291	1.8
249.16246	1.2
281.95093	1.4
287.12814	1.8
287.16376	1.6
308.51196	1.2
315.15918	3.7
363.18231	3.0
370.82953	1.2
391.17078	2.3
405.20578	2.8
421.55783	1.3
423.21716	3.7
433.19931	2.5
435.21799	3.6
439.24615	3.5
445.20340	1.8
451.21127	16.8
453.22498	2.0
463.21216	4.3
464.21909	1.2
469.22186	5.2
481.22116	7.8
483.24127	1.3
493.22791	1.2
499.23050	3.9
545.22327	9.9
545.34570	2.4
546.30768	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91566	0.2
54.15664	0.2
55.05519	0.2
67.05513	0.2
67.24682	0.2
69.04959	1.1
69.05379	0.6
69.07066	0.2
70.73634	0.2
71.05012	0.2
78.07909	0.2
85.02902	0.4
97.02914	0.3
109.10110	0.2
113.05988	0.2
115.03940	0.4
133.05008	0.4
162.05519	0.2
173.07117	0.5
174.07819	0.2
177.05363	0.3
203.05292	0.7
205.05005	0.7
221.07910	0.8
245.06624	0.2
251.05498	2.7
275.07349	1.1
333.07864	2.2
335.09488	12.5
336.09802	0.4
383.13098	2.0
413.21292	1.2
515.24792	0.6
545.25677	100.0
546.25970	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05490	0.2
55.36968	0.2
57.03397	0.2
59.93642	0.2
60.56464	0.2
61.70429	0.2
67.05540	0.2
69.03436	0.4
69.66995	0.2
71.29170	0.5
85.02899	0.4
93.07037	0.3
107.08563	0.2
123.04438	0.2
124.79276	0.2
125.17857	0.2
126.18204	0.2
157.03395	0.3
172.52344	0.2
177.40973	0.3
275.07425	0.9
277.11209	0.4
335.09412	5.3
395.19995	1.2
413.21536	1.8
415.28250	0.3
421.04153	0.3
527.24622	12.3
528.25061	0.9
545.25684	100.0
546.26105	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2747
Annotation	Physacoztolide D
Peak:m/z	Relative Intensity
53.03948	4.1
55.01881	4.4
55.05511	6.7
57.03440	3.5
57.07061	2.1
65.70422	1.9
67.05497	11.5
69.03425	19.3
69.07053	3.0
69.11102	17.3
70.07349	1.8
71.04992	2.6
74.01939	1.9
79.05486	23.0
81.03429	6.1
81.07058	88.9
83.04961	11.1
85.02906	4.1
85.06517	1.8
91.05476	14.9
93.07036	15.1
95.04977	7.2
95.08594	16.0
97.02888	2.3
97.06516	3.3
102.64286	1.8
105.07018	13.4
107.04987	2.1
107.08565	13.4
109.06516	24.7
109.10142	3.2
111.04478	9.4
111.08083	4.6
115.05463	3.1
117.07024	5.6
117.28807	1.9
119.08602	15.8
120.08923	1.9
121.06518	7.1
121.10130	4.5
123.04453	3.5
123.08074	7.1
125.05994	2.5
128.06224	2.8
129.07030	6.6
131.08575	12.8
133.06479	4.2
133.10092	11.4
133.42172	2.1
135.08044	9.3
137.05972	100.0
138.06329	2.2
139.07536	4.9
141.06976	3.7
142.07765	4.9
143.08549	9.0
145.06458	4.8
145.10132	10.5
147.08061	7.2
147.11710	7.9
149.09572	2.2
151.07536	2.5
155.08549	8.7
156.09363	3.1
157.06543	2.3
157.10173	10.4
159.08083	6.9
159.11728	4.7
161.06053	1.8
161.09615	6.3
163.07573	5.1
165.06972	3.6
167.08559	4.7
168.09402	2.1
169.10123	8.3
171.08118	5.8
171.11719	3.3
173.09669	10.8
175.07607	2.2
175.11197	7.3
177.09065	3.7
180.09320	3.0
181.10155	3.5
182.10976	2.3
183.08145	3.0
183.11737	7.1
185.09627	8.9
185.13300	3.0
187.07539	4.9
187.11212	4.6
189.09158	4.1
189.12747	3.2
191.06992	2.2
193.10129	4.7
194.10924	2.7
195.08113	2.9
195.11749	5.7
197.09615	3.7
197.13329	5.4
199.07544	3.0
199.11220	4.2
201.09091	5.6
201.12718	2.9
205.08557	2.5
206.10844	2.2
207.11745	5.7
208.12437	2.3
209.09669	5.8
209.13235	3.7
210.10410	3.3
211.11118	6.2
211.14760	3.2
212.11830	2.1
213.09192	1.8
213.12566	2.8
215.10847	2.2
216.11397	1.9
219.08179	2.1
219.10023	4.0
221.09711	2.8
221.13234	5.9
222.10196	2.2
223.11191	6.2
224.11855	1.9
225.09100	2.9
225.12787	7.6
225.16463	2.1
229.12221	3.2
231.11891	2.6
233.09639	2.3
233.13309	2.3
235.11221	3.2
235.14911	3.7
237.12758	3.8
239.10632	3.0
239.14314	5.7
240.11116	2.4
245.09537	2.5
245.13297	3.4
245.15503	4.5
247.11281	3.8
249.12872	2.1
251.10548	3.9
251.14383	3.3
253.12192	3.7
255.10379	2.4
257.15448	4.5
261.16537	2.8
263.14288	3.5
271.13342	2.9
272.13699	3.3
277.15891	2.6
281.08389	2.3
281.15237	2.2
289.12296	2.1
289.15613	2.3
291.13748	2.5
297.03979	3.9
305.15244	3.0
307.16888	4.1
328.09723	2.4
343.19315	2.5
349.17673	2.3
350.74994	2.0
353.18274	2.2
355.15482	4.3
373.16266	2.5
385.12653	4.4
399.10681	4.6
399.22864	3.0
403.18875	2.5
405.20435	2.8
409.20346	3.5
427.22546	10.3
428.23099	2.9
433.20007	2.2
437.18921	3.9
438.20016	7.5
445.24075	17.0
447.25259	3.7
451.21194	4.3
455.21573	3.6
463.24783	7.2
465.22229	5.0
467.20953	4.3
468.20892	5.1
473.23615	9.8
474.24188	2.3
481.22449	6.2
485.22287	3.5
491.24991	15.8
492.24939	3.3
499.23361	8.2
509.21692	6.6
529.35956	2.3
545.27399	4.3
569.97937	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.4
55.01873	6.3
55.05512	12.8
57.03435	4.1
67.05511	24.9
69.03436	15.3
69.07072	16.0
71.05009	5.6
74.38327	3.2
74.45872	3.4
79.05500	20.6
81.03421	42.1
81.07059	24.2
83.04977	22.1
83.08686	4.1
85.02907	10.4
91.05489	29.1
93.07042	38.2
95.04954	8.9
95.08627	27.9
97.02882	9.8
97.06528	9.1
105.07059	25.8
107.05008	5.3
107.08607	17.7
109.06530	15.8
109.10163	5.9
111.04445	14.4
111.08109	13.1
115.03913	4.2
115.05444	7.2
115.07568	6.2
117.07046	12.6
119.04814	3.4
119.08586	49.4
121.06538	14.8
121.10166	9.7
123.08099	11.1
125.05943	4.6
125.09655	7.0
128.06255	4.2
129.07002	8.5
131.08574	17.4
133.10117	32.1
134.10527	4.9
135.08070	7.8
135.11678	5.1
137.05978	5.1
137.09651	3.7
139.07547	17.5
141.07059	5.1
142.07794	7.2
143.08543	18.7
145.06528	4.5
145.10159	19.1
147.08041	8.5
147.11693	17.8
149.09613	7.8
151.07513	4.4
153.05521	5.1
153.12704	3.8
155.08562	14.3
156.09317	6.2
157.06465	4.9
157.10097	18.4
159.08063	11.4
159.11717	14.6
161.09668	7.3
163.07587	4.5
163.11186	7.5
167.08530	6.8
168.09293	4.9
169.10150	12.1
171.08080	7.1
171.11673	11.8
173.09682	11.2
175.07533	5.1
175.11174	7.1
177.09061	4.8
179.08641	4.4
181.10150	11.4
182.10922	3.8
183.08092	5.7
183.11746	7.9
185.04260	5.6
185.09615	12.7
185.13266	7.5
186.06572	8.0
187.07542	5.6
187.11201	12.4
191.10677	4.2
193.10193	4.9
195.11681	6.9
197.09721	9.6
197.13303	8.5
199.11252	10.2
199.14925	9.0
201.09129	7.6
201.12820	4.1
203.10725	4.7
206.00587	3.8
207.11711	12.1
209.09760	6.5
209.13229	6.3
211.11270	10.1
211.14748	5.2
213.12776	5.8
213.16481	4.4
215.14105	3.8
218.02121	3.9
221.13217	6.2
223.11139	7.0
225.12839	5.1
227.14388	7.0
229.06000	5.2
235.11305	4.7
239.10698	4.3
239.14333	16.2
245.15450	16.7
247.09528	4.2
247.44861	3.5
257.15402	15.1
261.12857	6.1
264.74164	3.3
265.15945	4.7
291.19565	7.4
307.16864	7.3
325.17938	15.1
343.19025	8.0
365.23477	7.4
383.23965	6.2
417.24240	4.6
445.23730	6.4
455.22617	6.1
461.23087	8.0
473.23126	10.5
474.23364	6.2
479.24368	11.2
491.24319	38.5
492.24802	5.5
509.25195	12.1
527.26642	6.3
545.19891	100.0
545.26532	4.8
545.32751	12.6
546.20032	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	5.7
53.03939	12.8
55.01871	9.9
55.05513	29.5
57.03437	3.5
65.03939	7.5
67.05503	65.5
69.03436	18.2
69.07069	16.8
69.24995	22.7
71.04986	7.4
79.05495	53.5
81.03416	8.6
81.07059	64.9
83.04985	70.6
85.02902	4.1
87.61559	2.6
91.05482	76.9
93.07050	54.3
95.04976	41.2
95.08610	28.1
97.02880	9.3
97.06540	14.2
99.04476	2.7
103.05479	7.6
105.03381	5.5
105.04512	6.7
105.07027	87.4
107.04969	13.8
107.08588	43.1
109.02857	7.8
109.06521	45.2
109.10157	56.0
111.02263	3.4
111.04456	39.5
111.08076	9.8
113.02386	4.3
113.06038	3.7
115.05442	14.0
116.06255	5.0
117.07005	28.4
119.04943	6.1
119.08585	100.0
120.08970	3.7
121.06519	26.3
121.10133	15.6
123.00772	4.9
123.04424	6.0
123.08112	17.2
123.11744	4.9
125.06013	4.9
128.06206	24.0
129.07011	35.1
130.07758	9.8
131.04887	5.7
131.08562	55.3
133.06491	39.5
133.10129	41.7
135.08072	27.4
135.11647	7.2
137.05939	23.1
137.09566	4.1
139.03889	5.0
139.07513	6.5
141.07011	25.2
142.07777	33.3
143.08566	52.8
144.09291	7.1
145.06503	27.8
145.10121	57.8
147.08040	40.2
147.11705	12.4
149.09624	17.7
151.07529	18.6
151.11220	3.2
152.06233	5.6
153.05577	5.2
153.07001	20.0
154.07788	13.1
155.07184	5.1
155.08540	56.1
156.09338	23.4
157.06506	6.3
157.10130	56.8
158.07304	4.7
159.08055	37.6
159.11732	18.3
160.08777	3.0
161.05977	5.4
161.09645	24.2
161.13269	4.8
163.07516	4.0
163.11174	5.0
165.06982	28.8
166.07813	13.6
167.07133	4.9
167.08511	25.6
168.09302	14.7
169.06473	3.6
169.10139	44.9
170.07242	4.0
170.10828	4.8
171.08096	19.9
171.11682	25.8
172.08887	3.5
173.05997	4.8
173.08174	4.4
173.09599	26.3
173.13313	6.3
175.07520	10.8
175.11166	11.8
176.21341	2.9
177.09026	5.1
178.07793	10.9
179.07092	4.0
179.08511	30.4
180.09319	19.0
181.06500	4.5
181.10132	35.6
182.07281	4.0
182.10944	17.1
183.08083	15.0
183.11707	28.6
184.08798	6.0
185.09605	25.4
185.13234	15.4
187.07526	4.8
187.11165	20.2
187.14822	4.6
189.09119	7.7
189.12738	5.2
190.07805	5.8
190.09512	2.8
191.08583	9.5
191.10680	6.5
192.09326	16.5
193.08578	38.0
193.10178	31.1
194.07294	2.6
194.09337	2.5
194.10860	16.9
195.08136	19.6
195.09978	6.1
195.11688	39.2
196.08884	6.4
196.12375	5.7
197.09593	21.7
197.13277	24.9
198.10294	6.0
198.13947	3.5
199.11220	21.7
199.14801	4.7
201.09122	7.9
201.12743	6.9
202.07813	6.7
203.06862	3.0
203.08578	12.1
203.10568	6.4
203.17891	3.7
204.09277	10.5
205.10201	14.9
206.10884	13.9
207.08153	4.0
207.09930	2.7
207.11691	35.7
208.08757	7.0
208.12349	6.5
209.09669	18.7
209.13226	31.7
210.10347	9.4
211.07524	3.8
211.11264	20.7
211.14816	25.8
213.09094	11.5
213.12785	8.9
215.08600	6.8
215.10667	9.7
215.14323	4.9
216.09308	7.9
217.10225	14.0
217.12125	4.5
217.15866	3.5
218.10910	12.4
219.08168	5.0
219.11832	17.0
220.12427	9.2
221.09602	11.8
221.13394	21.6
222.10300	8.7
222.13991	3.1
223.11240	23.7
223.14845	10.4
224.11748	5.0
225.09210	7.1
225.12750	36.0
227.08583	3.2
227.10696	6.1
227.14278	8.3
229.10197	6.1
229.12146	6.0
230.10909	7.5
231.11850	13.6
232.12404	10.1
233.09590	6.9
233.13367	20.4
234.13963	6.8
235.11224	16.6
235.14827	9.9
236.11842	5.4
236.15567	3.8
237.12869	18.5
237.16458	5.9
239.10678	8.6
239.14368	7.9
241.10205	3.3
241.12274	6.9
241.15901	4.1
242.10799	3.8
243.11629	9.3
243.13940	8.0
244.12473	4.2
245.09564	5.2
245.13255	9.0
246.10460	7.1
247.11188	12.4
247.14828	11.5
248.11967	5.1
249.12787	7.9
249.16405	7.9
250.13535	3.1
251.14288	8.1
253.12306	8.5
253.15915	5.1
255.13870	13.4
257.13412	4.7
259.11038	5.2
259.14835	7.6
260.11951	8.7
261.12805	9.9
261.16547	4.2
263.10870	3.6
263.14282	10.2
263.17923	3.6
264.11279	4.5
265.12320	4.6
265.15829	6.2
271.13287	4.7
271.14944	4.3
273.15015	4.8
274.13403	5.2
275.14267	12.7
275.17667	6.1
276.14975	4.5
277.12454	3.7
277.15851	9.3
279.13806	8.1
284.12173	2.8
284.15546	3.4
285.13025	3.8
285.16339	4.2
287.14148	7.5
289.16010	4.5
289.19403	3.7
291.13708	4.2
291.17325	4.6
293.11752	2.9
293.15344	5.3
299.14197	5.2
301.15891	4.5
305.15414	3.3
307.17273	3.9
315.16119	6.6
317.15497	5.6
319.16803	3.6
321.15009	3.4
329.15497	3.1
333.14719	3.3
335.16669	4.3
343.16922	4.1
345.14673	4.4
353.17523	3.1
353.21167	5.3
373.14194	3.1
385.21863	3.8
403.22601	3.6
421.24152	5.7
431.22012	5.5
439.21277	3.1
445.23770	3.6
449.23022	4.6
467.20438	6.7
473.23318	7.9
491.24023	14.2
492.24319	4.3
509.25403	8.0
527.26764	5.2
545.20837	3.8
545.33203	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3089
Annotation	CHEBI:69141
Peak:m/z	Relative Intensity
51.02382	0.9
53.03941	3.1
55.01862	1.3
55.05511	10.8
57.03433	3.0
57.07072	2.7
60.80785	0.7
65.03949	1.6
67.05505	23.0
69.03433	1.1
69.07069	7.3
71.04993	2.7
71.08621	3.2
71.32094	0.7
71.32488	0.5
72.52224	0.5
77.03931	0.7
79.05492	22.6
81.03416	15.1
81.07055	22.8
83.04974	4.0
83.08621	8.3
85.02902	6.7
85.06555	1.4
85.10193	1.8
87.04490	1.0
89.06030	6.6
91.05480	20.4
92.05815	0.6
93.07044	21.8
94.07328	0.8
95.04974	9.6
95.08607	13.1
97.02872	1.0
97.06534	2.3
97.10188	2.9
99.08084	1.2
103.05473	0.9
105.07034	14.5
107.04951	3.2
107.08591	10.9
109.06522	2.6
109.10147	6.0
111.04476	0.7
111.08078	3.6
113.06004	0.7
115.05493	0.7
115.33504	0.5
117.07026	4.5
119.08585	11.4
121.06489	3.3
121.10149	9.0
123.08020	1.2
123.11707	2.6
125.09627	2.3
129.06975	3.6
131.08565	8.6
133.06470	0.8
133.08615	3.5
133.10120	7.9
134.10541	0.6
135.08075	0.8
135.11713	5.3
137.05940	1.0
138.20224	0.6
141.06955	1.0
142.07774	1.3
143.08575	2.3
144.20360	0.6
145.10110	4.4
147.08061	1.5
147.11681	6.8
149.09601	2.3
149.13264	2.8
151.11147	0.7
155.08525	0.8
155.12619	0.6
157.10136	4.1
159.11708	4.2
161.13309	1.7
163.11108	0.8
163.14772	0.8
165.09123	1.0
165.12817	0.9
169.10100	1.5
171.11673	1.1
171.23923	0.6
173.13255	2.6
175.11143	3.7
175.14781	1.2
177.11218	1.5
185.13281	1.4
187.14822	1.0
189.11182	0.7
193.12244	15.3
193.14006	0.8
199.14894	0.6
201.16408	0.8
209.11662	0.8
211.13280	14.4
211.15149	0.9
211.53474	0.6
227.12650	1.3
235.52495	0.5
247.20547	1.4
261.22137	1.8
267.15985	1.5
291.23187	2.5
301.25229	2.0
303.23111	0.8
335.25555	1.6
369.38931	0.7
415.22458	1.1
425.32245	1.6
435.32312	1.8
453.33649	2.2
471.34824	0.9
527.37286	6.7
529.37384	0.7
545.30682	100.0
545.38379	22.7
546.31305	8.9
546.38953	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56626	2.0
53.03956	10.3
55.01872	4.1
55.05515	44.2
57.03440	9.2
57.07078	4.5
65.03951	5.2
67.05505	91.4
69.03420	4.9
69.07070	24.3
71.05000	9.9
71.08639	5.8
71.31780	2.7
77.28452	1.9
77.73832	2.1
79.05495	87.5
81.03419	54.9
81.06577	4.7
81.07060	100.0
83.04987	15.4
83.08617	27.1
85.02914	27.6
85.06552	5.7
85.10204	2.1
89.06046	2.9
91.05482	66.2
92.05826	2.5
93.07048	85.7
93.07628	4.2
95.04975	31.5
95.08609	55.2
95.09228	2.3
97.02925	2.3
97.06564	4.7
97.10188	8.4
99.08083	4.0
105.04562	4.6
105.07038	49.7
107.04983	8.8
107.08595	44.4
109.06538	6.4
109.10158	22.1
111.08089	13.4
113.06071	3.6
115.05481	2.6
117.07031	13.5
119.08586	43.6
121.06526	6.2
121.10146	43.8
123.08124	4.2
123.11738	6.6
125.09683	5.6
128.06239	2.4
129.07033	14.1
131.08578	29.3
133.06520	5.1
133.08652	3.9
133.10132	25.5
135.11656	18.8
137.05952	3.8
137.09656	2.9
141.07037	2.1
142.07799	3.1
143.08614	5.0
145.10132	19.7
147.08069	4.6
147.11696	23.2
149.09602	10.3
149.13210	9.7
151.11217	2.5
155.08627	3.8
157.10133	17.5
159.11679	11.7
161.13295	5.9
163.11232	3.7
165.12813	5.4
169.10211	2.9
171.11673	3.9
173.13347	8.5
175.11180	15.2
175.14957	3.1
179.14417	3.6
181.10185	2.8
183.11755	2.8
185.13315	2.6
187.14891	4.4
189.11282	3.3
193.12236	50.9
197.13345	3.2
199.14894	3.5
201.16576	2.4
211.13290	47.6
211.15097	4.1
214.94836	3.1
227.12822	2.5
243.21225	3.2
256.11868	2.0
261.22104	12.2
267.15967	5.7
277.21646	3.4
285.22208	3.3
289.21765	2.8
291.23196	2.4
301.21759	2.5
301.25214	5.8
317.24850	2.7
323.08398	2.1
335.25894	4.2
363.25208	2.7
417.31366	2.4
435.32922	5.8
453.33746	7.9
471.35263	3.7
509.35822	3.1
527.37476	25.4
545.21936	6.5
545.31738	6.2
545.38611	89.7
546.39032	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
54.06213	1.3
55.01878	7.6
55.05513	46.1
57.03439	12.4
57.07079	4.3
58.34502	1.7
58.68046	1.3
59.05001	1.6
65.03944	4.0
67.05503	88.3
68.05851	1.6
69.03428	5.4
69.07067	22.8
71.04990	5.1
71.08623	1.6
79.05490	58.0
81.02931	1.6
81.03417	34.6
81.07056	75.5
83.04964	9.2
83.08619	27.6
85.02910	1.5
85.06548	5.0
87.83588	1.4
91.05479	45.3
93.07043	50.9
95.04963	25.6
95.08604	53.9
97.06538	6.5
97.10169	22.6
98.23388	2.3
99.08102	2.3
105.04535	2.5
105.07030	46.7
106.07354	1.6
107.04966	10.3
107.08590	34.8
107.09270	2.2
108.08925	1.5
109.06529	7.1
109.10149	28.3
111.08092	7.3
115.05450	2.4
117.07015	23.1
119.08575	37.5
121.06519	10.8
121.10138	22.4
123.08073	5.7
123.11698	11.0
125.09624	17.2
128.06245	2.1
129.06982	15.1
129.07722	1.3
131.08574	35.8
131.09494	2.5
133.06482	3.3
133.10133	23.7
133.11069	2.4
135.07178	1.6
135.08023	7.4
135.11700	15.4
136.56557	1.4
137.09615	5.6
137.13214	3.0
141.07004	2.2
142.07777	2.2
143.08553	11.6
145.06517	2.5
145.10130	23.0
147.08073	6.2
147.11693	17.3
149.09641	5.8
149.13283	8.8
149.27859	1.5
151.11185	3.2
153.09190	1.8
154.07820	1.3
155.08563	5.5
157.10118	12.9
159.08066	2.6
159.11681	16.6
161.13252	9.9
163.11221	3.6
163.14819	4.2
167.08487	2.0
169.10143	6.1
171.10374	1.5
171.11650	7.7
173.09566	3.3
173.11853	2.2
173.13240	13.0
175.11227	6.3
175.14845	5.7
177.12776	3.0
183.10208	1.6
183.11742	6.3
185.13254	7.9
187.11174	1.9
187.13377	2.0
187.14757	8.5
189.11185	15.3
189.16437	3.4
191.14362	2.4
193.12247	16.1
195.11743	2.3
197.13303	3.8
199.11171	1.8
199.14835	3.8
201.12762	2.2
201.16420	2.7
205.15926	1.8
211.13161	2.1
211.14957	3.5
213.16412	3.5
223.13081	1.7
223.15015	1.6
227.12741	17.8
231.13867	1.6
233.15337	3.7
241.19583	1.7
243.21014	3.2
245.19144	2.0
247.16858	3.4
249.18530	2.0
261.18365	2.2
261.19388	2.2
261.22171	19.1
267.15881	25.4
275.20169	3.1
279.19666	2.6
279.23087	1.5
285.19269	1.5
285.21909	6.8
287.19986	2.5
299.23792	4.4
301.22009	1.6
301.25262	28.8
303.23038	2.4
315.23474	1.9
317.24768	4.2
327.23441	2.1
335.25830	19.8
345.24219	1.4
359.25757	2.9
401.18698	5.6
403.24655	2.0
407.33450	1.5
417.31845	2.2
421.26102	2.6
435.27347	2.8
435.32510	11.4
453.33694	18.8
471.34494	12.5
475.30292	1.7
509.36475	3.9
527.37372	55.8
528.37665	7.9
545.19916	2.9
545.38348	100.0
546.19995	1.6
546.38776	10.5
566.50452	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.0
55.01884	9.2
55.05511	55.9
57.03440	14.1
57.07077	6.1
63.21061	2.0
65.03943	5.6
67.05505	100.0
69.00915	9.9
69.01344	7.9
69.03426	6.6
69.07067	29.9
71.05000	5.8
79.05492	68.4
79.05962	2.1
81.03417	39.4
81.07057	99.1
83.04993	8.0
83.08622	31.4
85.06542	4.5
91.05476	58.9
93.07042	67.0
95.04965	35.8
95.08605	59.5
97.02912	2.0
97.06544	9.7
97.10167	32.0
98.23286	3.9
105.07035	50.6
107.04978	12.7
107.08588	48.9
109.06516	9.8
109.10152	38.5
111.08093	8.4
115.04214	1.8
115.05457	3.2
117.07021	22.0
119.08578	38.6
121.06502	12.6
121.10145	32.7
123.08063	8.3
123.11686	12.0
125.09621	29.6
129.07014	17.4
131.04912	2.2
131.08582	38.4
131.09492	3.1
133.06522	7.0
133.10129	30.5
135.08034	9.4
135.11687	20.0
137.09612	7.1
137.13255	3.4
141.06990	5.1
142.07797	3.5
143.08557	14.1
145.06499	5.0
145.10126	25.9
147.08055	6.9
147.11665	23.4
149.09644	8.3
149.13274	8.9
151.11237	3.6
152.98849	1.7
153.09146	4.0
155.08574	4.9
157.10124	17.2
159.08118	4.0
159.11696	21.9
161.09622	4.2
161.13239	12.7
163.11148	6.0
163.14870	3.5
167.08565	2.0
169.10141	7.6
171.10310	3.3
171.11717	10.9
173.09679	3.0
173.13245	16.8
175.11208	8.2
175.14900	6.7
181.10170	3.5
183.11714	7.4
185.09735	1.9
185.13261	8.6
187.14850	11.6
189.11244	13.4
189.12727	3.0
189.16313	2.2
191.14259	2.1
193.10654	2.4
193.12224	14.0
197.13287	7.2
199.14847	7.3
201.16434	3.2
205.12273	3.0
211.13132	2.1
211.14929	2.6
227.12766	20.0
233.15292	2.5
235.16948	2.2
243.21133	6.8
247.16917	5.0
259.20651	2.8
261.19360	2.9
261.22107	15.8
267.15881	29.4
268.16119	1.9
273.22095	3.4
279.23157	3.7
283.24411	2.0
285.22186	8.5
297.22089	2.4
299.23657	3.4
301.21957	3.7
301.25214	25.4
303.23331	4.5
315.23166	2.4
317.24747	4.1
329.20941	2.5
331.22629	2.2
335.25806	21.6
341.24573	2.4
359.26028	5.5
417.31494	3.4
421.26163	2.1
435.27335	3.2
435.32413	9.5
453.33563	19.1
471.34570	13.1
472.34778	1.8
509.36499	2.2
527.37354	57.9
528.37775	5.7
545.38354	94.6
546.38666	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.4
53.03951	9.1
55.01869	5.0
55.05510	28.0
55.51487	1.1
57.03431	5.2
57.07068	4.9
62.57417	1.1
65.03931	5.2
66.02658	1.1
67.05505	76.8
69.01542	12.1
69.03413	1.3
69.06722	2.1
69.07066	24.6
71.04984	3.0
71.08243	1.7
71.08630	30.2
77.03939	2.0
79.05489	64.3
80.05833	2.1
81.03415	10.7
81.07056	87.5
82.07353	1.7
83.04972	12.2
83.08613	21.7
85.02897	1.6
85.06536	3.0
88.19009	1.2
91.04897	1.8
91.05479	52.4
93.07042	78.8
94.07333	1.5
95.04978	14.2
95.08604	42.6
97.06519	12.0
97.10178	4.5
98.23138	6.0
99.08089	22.8
105.04507	3.0
105.07027	32.0
107.04956	11.8
107.08590	42.6
109.06540	4.2
109.10146	15.8
111.08080	4.7
113.09642	4.2
117.07015	10.9
119.08580	18.4
121.06503	3.0
121.10138	33.6
122.10452	1.6
122.59519	1.5
123.08097	2.1
123.11726	3.9
125.09609	3.3
126.68614	1.1
129.07037	3.9
131.08566	13.3
133.06483	1.4
133.10127	19.1
135.08022	2.7
135.11685	33.4
137.06027	1.4
137.09644	4.7
139.11221	1.3
141.09085	3.8
143.08519	3.3
145.10117	7.5
147.11707	9.4
149.09686	1.5
149.13251	19.8
150.94048	1.3
151.11169	14.1
157.10175	4.9
159.11678	10.0
161.13222	10.0
163.11205	5.2
163.14856	2.3
167.07024	1.3
171.11691	4.6
173.13248	3.1
175.11168	1.6
175.14764	1.8
177.12778	6.2
179.14307	100.0
180.14691	5.0
183.05327	1.4
185.13321	2.9
189.12746	2.8
193.12267	3.3
195.13852	3.7
199.14922	2.3
201.16431	1.5
213.16441	1.7
221.15433	2.5
227.12790	2.2
231.17378	1.7
235.16978	5.2
245.11884	1.9
251.16432	2.8
259.20642	3.3
261.22061	1.8
267.15894	2.2
277.21616	59.4
278.21954	3.4
295.22812	4.5
301.25443	1.9
351.25293	1.8
435.32965	1.5
471.34863	1.5
527.37683	3.0
545.38409	53.4
546.38678	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.5
53.03944	7.9
55.01874	4.8
55.05515	35.2
57.03444	10.5
57.07062	2.6
59.05010	0.9
60.05635	2.0
65.03941	4.8
67.05507	70.5
68.05834	1.6
69.03439	4.4
69.07068	19.8
69.14261	7.2
71.05005	6.2
74.69249	0.9
77.03896	1.2
79.05495	72.4
80.05846	0.9
81.03423	49.1
81.07059	70.5
82.07373	1.0
83.04975	12.3
83.08624	23.4
85.02907	25.0
85.06554	2.8
91.05483	54.9
92.05818	1.4
93.07047	66.0
94.07394	1.1
95.04972	26.5
95.08611	45.5
96.08961	1.5
97.02879	2.1
97.06530	6.9
97.10172	10.6
98.08913	0.9
98.22529	1.5
99.04478	1.3
99.08101	1.4
103.05473	3.6
105.04530	2.2
105.07032	40.8
107.04969	6.5
107.08596	34.5
109.06538	4.9
109.10162	16.3
111.04466	1.3
111.08081	12.3
113.06008	1.9
115.05409	1.6
117.07013	11.6
119.08576	32.3
121.06535	3.0
121.10141	31.1
123.08090	4.2
123.11718	6.8
125.09628	5.6
128.06219	1.6
129.07008	13.8
131.04945	3.4
131.07584	1.3
131.08568	26.6
133.06519	2.4
133.10127	23.2
134.10484	1.0
135.08102	1.3
135.11700	17.3
137.09607	2.6
137.13248	1.2
141.06973	2.0
142.07767	2.7
143.08560	3.9
145.06549	1.1
145.10133	13.2
146.10480	1.0
147.08072	3.6
147.11700	18.7
149.09607	6.9
149.13277	7.3
151.11165	1.6
155.08649	1.3
157.10143	14.4
159.11700	9.0
161.13248	6.6
163.11218	1.9
163.14836	2.4
165.12787	4.2
169.10156	2.5
171.11751	3.6
173.13266	7.6
175.11189	12.2
175.14874	2.8
177.12727	1.1
183.11719	2.6
185.13301	3.5
187.11156	1.1
187.14841	4.5
189.11259	2.2
193.12253	51.2
194.12582	2.5
194.19707	1.0
195.11748	1.2
197.13383	2.2
199.14876	1.8
201.16415	2.2
211.13287	49.6
212.13664	1.6
227.12813	3.7
243.21227	2.1
259.47678	1.1
261.22177	8.0
267.15781	5.2
267.21048	1.0
277.21579	1.1
285.16925	1.2
285.22125	1.9
299.23718	2.1
301.25201	6.2
303.23193	1.9
317.24768	2.0
335.25851	4.8
341.24887	1.2
359.25876	1.4
417.31741	1.4
423.17850	2.1
425.33972	1.1
435.32803	7.0
453.33795	6.0
463.41071	1.0
471.34653	2.8
509.36392	2.0
527.37292	22.2
528.37744	1.5
545.38385	100.0
546.38788	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.5
53.03954	10.3
55.01628	1.1
55.01870	7.0
55.05513	51.6
57.03437	13.6
57.07071	4.9
59.05003	1.6
60.08154	1.4
63.66181	1.5
65.03931	7.2
67.05507	100.0
68.05854	1.9
69.03429	6.4
69.07075	22.2
69.88733	5.4
71.04997	7.0
74.09730	13.6
75.10016	1.4
75.22380	1.2
76.07647	1.4
77.03925	2.5
79.05498	83.8
81.03420	55.2
81.07059	86.4
82.07405	2.6
83.04980	13.3
83.08627	32.5
85.02910	26.2
85.06547	4.4
86.09709	1.9
91.05482	65.0
93.07045	77.1
94.07381	2.8
95.04974	32.4
95.08605	59.2
97.02914	2.1
97.06541	8.7
97.10167	18.0
97.67013	1.3
98.22625	1.2
99.08124	2.0
103.05438	1.8
104.10753	5.7
105.04536	4.0
105.07034	56.1
107.04951	8.1
107.08598	44.5
109.06519	8.0
109.10170	26.1
111.04497	1.9
111.08083	13.6
113.06001	2.4
113.09624	1.6
115.05429	3.9
117.07021	18.5
119.08582	43.9
121.06532	5.3
121.10146	33.7
123.08072	5.7
123.11679	6.4
125.00042	3.1
125.09618	9.7
128.06226	2.4
129.07016	15.4
131.08566	32.4
133.06537	3.2
133.10126	23.2
135.08061	3.8
135.11699	15.6
137.09627	3.7
137.13248	2.3
142.07780	3.5
143.08580	7.7
145.10146	18.6
146.19124	1.4
147.08080	4.0
147.11693	25.2
149.09639	5.5
149.13222	8.6
151.11102	2.2
155.08580	4.2
157.10143	16.6
159.08116	1.5
159.11684	13.3
161.09641	2.0
161.13245	9.6
163.11172	4.0
163.14827	3.7
165.12787	2.0
169.10185	5.2
171.11699	6.9
173.09662	1.8
173.13243	12.9
175.11154	11.1
175.14870	3.8
181.10118	1.6
183.11661	3.6
184.07379	5.8
185.13290	6.2
187.14865	5.4
189.11247	5.3
191.14156	1.8
193.12248	43.2
195.11758	1.6
197.13324	4.8
199.14781	2.9
201.16386	3.0
209.13303	1.8
211.13278	40.8
223.14873	1.9
227.12761	6.7
243.21065	2.8
249.14838	1.9
261.19400	1.8
261.22162	12.2
267.15927	11.3
267.21429	1.4
273.18600	1.7
273.22189	1.6
275.20197	1.8
285.22174	3.6
299.23816	2.5
301.22220	2.1
301.25266	11.9
303.23251	2.0
317.24780	4.1
326.95596	1.6
335.25922	9.0
341.24890	2.2
347.22064	1.5
359.26065	2.1
361.74335	1.5
417.31598	3.1
435.32510	8.3
453.33585	9.9
471.34631	6.0
509.36313	2.3
527.37305	30.4
528.37714	3.8
545.38391	93.8
546.39050	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
55.05500	2.2
57.03426	0.9
57.07077	0.8
67.05494	2.1
67.74006	0.5
69.07072	6.5
79.05495	4.0
81.07065	4.1
83.08599	1.7
91.05456	1.2
93.07039	2.1
95.08593	2.2
97.06533	34.4
97.10154	1.4
98.06828	0.9
98.22737	2.1
103.69817	0.5
105.07041	0.8
107.08590	0.7
109.06499	1.0
109.10157	1.5
111.11693	0.6
117.07009	0.6
119.08600	0.8
125.89270	0.5
135.08051	0.8
137.05972	4.0
137.09622	1.4
139.07509	3.5
147.11639	0.7
149.05974	1.4
149.09694	0.6
151.07539	2.8
165.05490	1.2
165.09120	19.0
166.06276	1.4
166.09474	1.0
167.07045	19.7
179.07045	3.5
189.09068	0.5
191.10561	1.1
192.07840	0.6
193.08603	1.9
193.12254	6.1
203.10690	0.5
219.10138	1.2
221.09541	0.8
221.11713	15.4
222.12120	1.0
263.12784	100.0
264.13162	4.7
265.13376	0.7
345.07248	0.5
351.33081	0.5
430.67108	0.5
464.61429	0.6
527.35010	0.6
527.41156	5.1
528.40912	0.6
545.41260	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01870	1.0
55.05511	2.3
57.03422	0.7
57.07072	0.8
59.20243	0.4
60.28096	0.3
67.05499	2.7
69.07067	7.0
79.05498	3.9
81.07040	2.9
83.08627	1.8
91.05492	1.1
93.07037	2.0
95.08602	2.3
96.43271	0.3
97.06529	30.9
97.10177	0.7
98.06830	1.6
98.23348	0.9
101.47366	0.3
105.07001	0.4
109.06509	1.4
109.10139	1.4
111.11701	0.5
119.08587	0.4
119.17108	0.4
121.06495	0.7
123.11665	0.4
125.50716	0.4
131.08569	0.4
132.55211	0.3
133.51665	0.4
135.08009	0.7
137.05968	4.8
137.09616	1.2
138.06778	0.9
139.07553	4.2
149.05988	0.6
151.07504	2.4
152.08319	0.8
163.07596	0.6
165.05508	0.8
165.09113	20.0
166.06206	1.1
166.09450	1.0
167.07037	18.7
168.07385	1.3
175.11273	0.5
179.07036	5.0
191.10661	0.8
192.07759	0.6
193.08539	1.0
193.12259	5.1
194.12665	0.5
203.10660	0.6
207.10286	0.4
219.10143	2.0
221.11729	13.2
222.12079	0.9
251.12802	0.3
263.12784	100.0
264.13116	5.6
265.13382	1.2
527.40924	5.4
528.40771	0.4
545.41290	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.6
55.01863	2.2
55.05514	10.8
65.03951	11.6
67.05499	6.6
69.03424	7.4
69.47564	1.7
69.67778	5.2
69.68192	3.2
79.05490	2.0
83.04985	54.1
85.02945	1.8
89.03918	4.9
93.03404	20.2
95.04973	13.1
97.02879	1.9
98.23301	2.3
105.07029	28.4
106.07377	1.8
107.04969	2.7
111.04446	36.9
117.03423	3.0
121.02872	33.7
122.09657	13.5
123.04465	2.8
129.05455	9.0
129.17393	1.6
135.04417	100.0
136.04739	2.7
139.03897	60.9
147.06541	3.9
153.05460	3.0
157.04955	20.5
158.05296	1.8
162.05617	2.0
163.03864	15.7
175.06001	3.3
179.29030	1.7
181.04927	8.6
193.07066	5.2
255.06589	1.9
257.33813	1.9
273.07529	4.8
281.10382	1.8
291.08554	24.5
309.09750	24.2
313.09082	1.7
319.08179	3.1
327.10812	1.7
337.09128	27.2
348.02481	2.1
355.10037	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
53.03946	0.5
65.03960	0.2
67.05512	0.2
69.55733	0.3
69.56121	0.5
70.06586	0.2
71.58273	0.1
71.60777	0.2
77.03918	0.4
79.05495	3.0
81.03456	0.2
83.04995	0.3
95.04989	0.8
103.05466	2.4
105.07028	100.0
106.07357	2.2
108.26276	0.1
111.04460	0.3
113.06017	0.6
118.76948	0.2
121.02871	0.2
122.09664	49.1
123.10002	1.2
131.07037	1.3
135.04416	0.6
139.03903	0.5
163.03925	0.6
208.98184	0.1
210.58008	0.1
225.49217	0.2
263.31342	0.2
291.08456	0.2
337.08997	0.3
547.13141	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42710	0.8
55.05518	5.2
67.05504	1.1
69.28913	6.5
75.04477	1.3
76.38401	0.9
79.05492	1.1
81.07066	1.3
83.04977	7.0
83.53050	0.9
94.99320	0.9
95.08590	1.0
165.07027	1.0
181.06464	1.3
195.08138	1.5
197.05983	1.1
199.07545	1.4
209.05945	1.0
209.09535	0.9
211.07584	1.2
219.45448	1.0
223.07463	1.2
224.08241	1.3
226.06126	1.6
227.07152	2.1
235.07527	1.8
237.05386	1.1
237.09021	2.3
239.07117	2.0
239.10663	2.5
240.07741	1.3
241.04980	1.3
241.08557	5.2
242.09276	1.6
249.09126	1.6
251.07053	2.5
251.10600	1.3
251.43745	1.1
252.07840	3.7
252.11378	1.2
253.08650	2.7
254.05742	1.3
254.09375	3.0
255.06509	3.0
255.10066	3.0
257.08093	2.5
262.09836	1.1
263.07010	1.9
265.08633	3.8
266.09229	2.3
267.06592	2.3
267.10193	5.9
267.12888	1.1
268.07233	2.4
268.10797	2.7
269.04346	1.0
269.08084	6.4
269.11432	1.8
270.08853	2.4
271.05978	1.1
271.09528	2.5
272.06891	1.4
275.07605	1.0
277.08713	2.0
278.09396	2.5
279.06607	1.3
279.10107	2.1
280.07474	1.9
280.10849	3.0
281.08066	3.5
281.11404	1.8
282.05466	1.2
282.08798	4.2
282.12360	2.7
283.05936	1.5
283.09616	4.1
284.06787	7.4
284.09982	2.0
285.07581	6.8
285.10709	1.6
292.10931	1.4
293.08060	3.6
293.11710	5.0
294.08768	2.9
295.06393	1.7
295.09647	9.4
296.06961	2.2
296.10434	3.3
297.07639	5.5
297.11234	11.0
298.08307	3.4
298.11880	2.8
299.05841	1.2
299.09097	10.6
299.12332	1.8
300.06876	1.2
300.09805	6.4
301.10553	2.1
307.09680	1.4
308.13898	1.7
309.07504	3.0
309.11197	5.7
310.08249	3.2
310.11981	7.2
311.09055	6.2
311.12762	5.8
312.09894	10.4
312.13477	3.9
313.07263	1.6
313.10663	8.0
313.14346	2.2
314.07892	1.2
314.11322	2.4
315.08487	2.5
315.12183	3.0
319.09607	1.3
320.10419	2.1
321.11127	5.0
322.12009	1.4
323.12582	1.7
324.10019	2.1
324.13589	1.9
324.82523	1.0
325.06805	0.7
325.10678	17.6
325.14139	1.2
326.08011	1.4
326.11371	6.8
327.08609	12.3
327.12112	2.1
328.09314	2.6
328.13037	2.3
329.10175	6.5
330.10815	1.9
331.11685	1.9
335.12656	1.7
336.13550	2.5
337.10522	2.1
339.12253	3.0
340.13052	47.8
341.10028	4.5
341.13773	14.6
342.10934	26.7
342.14365	1.5
343.07944	1.5
343.11713	12.8
343.15460	3.3
351.12210	8.3
352.13062	2.0
353.13965	1.8
354.14490	1.5
355.15210	1.6
356.12433	8.5
357.12943	3.6
358.10406	4.4
366.14667	15.0
367.15500	11.3
371.14886	71.1
372.15228	4.6
373.12802	21.2
374.13104	1.5
382.14111	1.5
383.14682	1.2
384.15875	2.5
385.16440	21.9
397.16394	13.1
415.17480	100.0
416.17841	7.7
425.13388	1.7
497.21948	1.4
546.22198	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.0
65.79873	1.2
70.51965	2.1
70.52277	1.4
70.60733	1.1
83.04974	2.9
89.87377	1.0
131.04897	1.8
135.08183	1.3
142.32167	1.3
207.08099	1.5
221.05739	1.3
223.07597	1.6
224.08400	1.6
225.09137	1.9
227.07169	1.7
235.07730	1.6
236.08188	1.2
237.09026	1.4
239.06981	1.5
239.10738	2.5
240.07907	2.3
241.08644	2.4
242.09445	1.5
251.07019	2.4
251.10649	1.3
253.05124	1.5
253.08578	3.5
255.06413	2.1
255.10234	1.7
263.07126	1.6
265.08704	2.6
267.06580	2.0
267.10205	5.4
268.07281	3.7
268.10516	1.2
269.07993	5.7
270.08841	1.8
277.08542	1.5
278.09283	3.2
279.10138	2.9
280.07538	1.7
280.10822	1.9
281.08078	3.9
282.08844	3.5
282.12457	3.1
283.06070	1.2
283.09637	6.8
283.12891	2.3
284.06757	4.4
284.09882	1.3
285.07574	4.5
293.08029	2.5
294.08896	2.5
295.06436	1.6
295.09656	10.7
296.06906	1.6
296.10233	2.6
297.07648	3.6
297.11169	3.1
298.08392	4.4
298.11517	1.5
299.05759	1.7
299.09009	12.3
300.06494	1.8
300.09848	5.7
301.10809	2.4
305.08130	2.4
309.07797	2.4
309.11261	5.0
310.08426	2.8
310.11984	10.8
311.09109	5.9
311.12698	4.1
312.06601	1.6
312.09875	7.6
312.13245	2.4
313.07312	2.2
313.10699	5.9
313.13995	2.3
314.07910	1.7
315.08582	4.9
320.10397	2.7
321.11252	3.8
322.11658	1.3
325.10703	15.0
326.07974	2.6
326.11343	11.1
327.08594	8.0
327.12079	2.1
328.09369	3.9
329.10132	3.6
335.12924	2.2
339.12311	2.1
340.13049	27.0
341.10126	12.4
341.13846	16.5
342.10962	17.7
343.08032	2.1
343.11630	7.6
351.12277	9.1
353.14133	1.5
356.12454	16.9
357.13300	3.7
358.10583	5.7
366.14594	9.2
367.15292	1.5
371.14856	40.1
373.12827	16.4
383.14792	11.6
384.15558	7.5
397.16553	6.0
415.17508	100.0
416.17786	6.1
546.21399	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08952	3.4
53.09213	3.2
55.00690	3.1
55.05510	34.4
56.62732	3.0
70.06140	2.9
71.31757	4.5
83.04985	31.0
91.33006	3.3
93.07081	3.6
95.08594	4.7
112.12095	3.7
114.05700	2.9
114.13006	2.8
118.42123	3.3
127.50865	3.3
152.00038	4.0
239.07047	3.2
239.10652	4.8
241.08646	4.8
249.08917	4.0
253.08575	6.2
262.09894	7.1
263.06760	3.7
263.10861	4.4
265.08594	7.8
266.09314	5.5
267.10257	8.4
269.08109	10.7
278.09399	6.2
279.10181	5.7
280.10925	4.5
281.08148	5.7
282.08862	5.8
283.06009	4.9
284.06836	6.7
285.07681	6.1
293.08145	4.0
293.11581	13.2
295.09628	11.6
297.07565	17.5
297.11154	10.4
298.08203	5.6
298.11960	4.1
299.06067	4.2
299.09070	21.1
300.09799	4.4
305.11697	3.7
308.14111	7.1
309.07718	5.7
309.11224	7.9
310.08411	5.8
310.11847	8.4
311.09238	7.2
311.12820	9.5
312.09940	39.3
312.13406	6.2
313.10703	15.6
313.13885	3.9
314.11447	6.8
321.11096	15.3
323.12640	6.7
325.10730	17.5
326.11493	8.6
327.08612	6.6
328.09503	6.5
328.13171	15.8
329.10193	6.5
336.13403	5.9
337.10602	5.8
339.12201	6.2
340.09344	6.1
340.13092	50.3
341.10117	5.0
341.13773	11.4
342.10855	21.9
343.11768	53.0
343.15527	3.4
351.12314	27.2
352.12769	4.7
353.13864	5.8
354.14633	4.8
356.12506	9.9
357.13297	5.6
358.10315	4.1
366.14600	67.1
367.15384	38.5
371.14877	92.7
373.12906	14.2
382.14044	7.1
384.15616	13.2
385.16412	70.0
397.16449	68.9
405.29565	3.8
415.17453	100.0
416.17609	5.0
497.21838	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	22.3
63.63687	4.5
69.29192	24.9
70.76322	3.7
70.82930	4.2
81.07018	4.4
83.04982	29.8
95.08614	4.4
98.22607	9.4
103.05480	7.9
109.45084	4.3
131.04922	12.2
168.49002	3.9
211.07559	4.5
233.09656	4.1
237.09309	4.9
239.07036	4.2
241.08441	6.2
250.09859	6.5
251.06999	9.4
253.08681	5.6
265.08685	7.4
265.12256	5.5
267.06769	7.0
267.10220	15.0
269.07980	9.4
279.06592	9.8
282.08850	6.3
283.06082	8.5
284.06851	5.3
285.07626	11.8
295.06528	6.8
295.09647	23.3
297.07648	13.4
297.11185	7.8
298.08383	5.4
299.05521	4.2
299.08972	9.6
313.10791	5.6
314.11237	9.0
325.10703	21.3
326.11191	5.3
329.06799	6.1
329.10220	45.2
329.13654	7.5
337.10419	5.2
339.12387	6.0
351.12497	9.2
352.13089	7.8
353.13864	22.5
357.13251	37.7
358.13464	5.8
359.11087	7.9
368.12466	6.3
369.13092	11.6
371.14859	45.8
383.14838	69.9
401.15829	100.0
401.20374	7.9
402.16016	7.4
424.14529	9.3
435.25131	4.1
483.19998	17.4
535.61829	4.4
546.18134	7.7
547.22998	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32037	1.2
55.04487	1.2
55.05510	2.7
62.64944	1.6
66.41003	1.4
67.05503	3.5
69.66747	5.1
70.53579	1.4
79.05494	1.5
81.03433	1.9
81.07046	3.3
83.04963	2.9
85.06484	1.3
93.07025	2.1
95.08580	1.9
105.07015	2.2
107.08591	1.6
112.00163	1.2
119.08565	1.8
170.74591	1.5
172.93481	1.4
177.05539	3.1
179.08498	1.5
195.07892	1.7
201.69199	1.4
207.08092	1.8
211.07487	1.7
213.09068	1.8
223.11407	1.7
224.08311	2.4
225.08812	1.9
226.06232	1.9
235.07544	2.6
237.05423	1.9
237.09109	3.7
238.06291	2.0
239.06967	3.0
239.10704	4.5
251.07050	2.4
252.07738	5.6
253.08388	4.3
254.05862	1.9
254.09479	2.4
255.06558	1.7
256.07260	1.7
263.06946	1.9
264.07709	1.8
265.05411	1.5
265.08551	6.1
266.09241	1.9
267.06848	2.3
267.10147	12.1
268.07431	3.1
268.10574	4.0
269.08167	1.8
269.11758	2.7
269.17542	1.9
271.06216	1.4
278.09235	1.8
279.06714	1.3
279.09964	1.8
280.07181	3.1
281.08017	3.1
281.11624	1.6
281.68518	1.4
282.09012	1.9
283.09302	1.8
284.06732	3.5
284.10028	1.9
285.07632	2.9
293.08130	2.4
294.09094	2.5
295.06329	2.1
295.09586	19.1
296.06931	2.2
296.10080	5.9
297.07574	4.3
297.11224	9.4
298.08237	2.5
298.11490	2.6
299.09158	7.8
299.12265	1.8
300.09607	2.1
300.96106	1.5
301.10474	1.9
310.08289	3.7
311.09085	2.2
312.09930	1.7
313.07007	3.1
313.10623	1.5
314.07849	1.7
315.08591	3.3
321.11227	2.2
325.10641	18.3
326.11267	5.2
327.08585	2.6
327.12234	4.7
328.09299	5.0
328.12888	1.9
329.06586	2.8
329.10114	6.7
329.13815	2.9
339.12497	3.5
342.10944	3.0
343.11679	3.0
344.08865	1.9
351.12173	3.9
352.12820	1.9
353.13800	4.6
357.13306	30.0
358.13589	5.3
359.11203	13.3
360.11594	2.2
370.13849	1.7
371.14951	10.1
383.14746	6.9
401.15921	100.0
402.16339	13.3
405.26865	1.6
423.13895	3.9
424.14404	19.1
437.74893	1.6
461.28989	2.8
464.28912	1.8
546.18121	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
54.48349	0.9
65.06500	1.0
67.05511	1.7
69.02644	2.2
69.03036	9.9
69.03420	8.3
73.02911	2.1
79.05490	17.9
81.03424	1.2
81.07053	89.0
82.07400	1.2
85.02897	2.8
91.05470	4.2
93.07040	2.3
95.04969	2.2
95.08594	4.1
97.02869	1.7
98.22685	1.9
102.18862	1.1
104.86604	1.1
105.07034	3.7
107.04951	1.5
107.08587	2.3
109.06514	28.3
109.10087	1.1
115.05396	1.1
117.07005	2.5
118.35013	1.0
119.08587	2.7
121.10086	1.7
123.04400	1.0
123.08045	2.1
127.03925	1.6
129.06990	2.6
131.08566	2.9
133.06525	1.5
133.10115	2.2
135.08122	1.6
137.02368	2.1
137.05972	100.0
138.06339	1.6
139.04848	1.0
141.06995	2.1
142.07779	1.3
143.08553	3.7
145.06509	1.9
145.10106	3.4
147.08061	2.2
151.07553	1.2
154.07745	1.3
155.08517	7.2
156.09306	1.4
157.10144	2.7
159.08063	2.4
159.11707	2.2
160.08725	1.1
161.09599	3.3
161.13266	1.2
163.07498	1.2
167.08545	1.3
169.10081	5.7
171.07961	1.2
171.11678	1.4
173.09608	11.0
174.10312	2.0
175.11183	6.5
181.10159	1.6
183.11670	1.8
185.13152	1.0
187.11150	3.5
188.11870	1.6
189.09087	2.1
189.12756	4.5
190.13528	10.4
191.10553	1.2
195.11647	1.1
197.13239	1.4
199.11171	2.0
201.09120	2.5
201.12828	1.0
203.10594	1.0
207.11839	1.4
211.11147	2.4
213.09157	1.2
213.12698	1.5
215.10645	3.8
216.11470	4.4
225.12682	1.4
227.14374	1.2
229.12297	2.0
229.15823	1.4
231.10115	1.0
233.11577	6.7
235.17003	1.7
246.15584	1.1
247.31154	1.1
249.12720	1.2
251.14288	1.2
255.13957	1.6
269.15289	2.4
297.14737	2.6
311.16464	1.2
313.17981	3.1
314.15051	2.1
315.15945	7.2
319.80057	1.0
329.17746	1.1
330.18018	4.7
331.18762	1.6
335.14780	1.4
356.16043	1.3
357.16983	11.1
373.16467	1.4
374.17368	3.0
375.17810	7.4
405.20746	1.4
421.23795	4.6
433.20096	4.8
447.21548	6.7
449.23230	3.3
451.21149	34.0
452.21194	2.7
465.22580	2.0
467.24249	13.8
468.24615	1.1
469.22076	1.7
475.20926	4.8
483.23672	2.1
493.22131	30.2
494.22443	2.9
501.16165	1.0
511.23196	20.3
512.23596	1.4
529.24103	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
54.68719	0.5
55.01891	0.5
60.52311	0.5
61.65617	0.5
65.03952	0.9
67.05498	0.9
69.03429	7.2
70.57216	0.6
70.57544	1.0
79.05495	12.2
79.95129	0.4
81.07058	77.0
82.07397	2.0
83.05019	0.6
88.61021	0.4
91.05484	6.4
93.07061	1.2
93.48724	0.4
95.04971	1.3
95.08598	0.7
97.02886	1.3
97.06513	0.8
105.07033	2.4
107.02859	0.5
107.04982	0.6
107.08616	1.8
109.06522	22.9
109.10194	0.5
115.05475	1.1
117.06980	2.4
119.04962	1.5
119.06127	0.5
119.08614	2.5
121.06557	1.1
121.10098	0.6
123.04453	1.0
123.08036	1.1
128.06183	0.6
129.06978	0.8
131.08594	1.7
133.06482	0.8
133.10143	0.7
135.08041	2.7
137.05978	100.0
138.06346	2.4
141.06987	0.6
143.08595	2.1
145.06490	4.8
145.10104	1.6
147.08054	4.0
149.05917	0.5
151.07475	0.7
155.08531	2.2
157.10144	1.5
159.08055	1.3
159.11693	0.4
161.05966	0.6
161.09689	1.3
163.07529	3.0
167.08621	0.9
169.10136	1.9
171.08089	1.3
171.11656	0.6
173.06001	1.1
173.09654	1.7
175.07550	4.5
175.11226	0.8
177.09079	0.5
179.08583	1.1
181.10115	1.1
183.08040	1.0
183.11681	0.9
185.09637	1.2
187.11180	1.5
189.09024	1.0
189.12769	0.8
191.07051	3.0
193.10196	0.8
195.08073	0.7
196.08855	0.5
196.12201	0.4
197.09622	0.7
197.13347	0.9
199.07584	0.5
199.11186	1.1
201.12746	0.6
203.07040	7.2
203.10550	0.6
206.10855	0.5
207.11755	1.1
209.09676	1.2
209.13203	0.7
211.07672	0.4
211.11093	0.8
211.14748	0.8
213.09247	1.0
213.12799	0.9
215.10674	0.7
223.11282	0.5
225.12764	1.6
227.10727	0.6
237.12723	0.5
239.14392	0.5
241.15935	1.1
243.13791	1.2
247.11206	0.6
249.12610	0.5
251.14334	0.7
253.12059	0.8
267.13824	1.0
269.15356	1.5
285.14957	0.8
297.14893	0.9
298.13599	0.5
313.18005	0.6
329.17361	0.9
339.15756	0.8
347.44373	0.5
357.16922	2.4
364.52640	0.6
375.18167	0.8
405.20517	2.4
407.22260	1.4
415.19061	1.5
421.23688	1.9
423.21667	0.9
429.20465	1.1
431.22107	1.4
433.20096	7.5
435.21829	4.2
447.21698	2.2
449.23215	7.5
450.23206	0.6
451.21109	6.3
457.19846	1.9
465.22900	2.8
467.23944	0.8
475.21115	8.4
476.21353	0.6
485.25403	0.7
493.22186	12.2
494.22394	1.3
501.88663	0.5
511.23273	5.7
512.23834	0.7
546.26550	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32172	1.7
55.01860	2.6
55.05507	6.6
57.03430	5.9
61.11692	1.8
67.00444	2.1
67.05497	5.2
69.03431	15.3
69.07050	4.4
70.55611	2.5
70.55944	4.8
73.02908	6.0
79.05499	16.7
81.06581	4.0
81.07056	77.9
83.08610	2.9
85.02900	7.8
91.05476	10.5
93.07039	8.8
95.04951	7.3
95.08599	11.3
97.02891	9.6
101.37891	2.1
105.07040	11.4
107.04896	2.7
107.08585	8.0
109.06506	24.3
109.10134	3.3
111.04408	3.1
115.03919	4.7
117.07009	3.7
119.08556	8.3
121.06501	8.7
121.10137	5.1
123.08064	9.1
125.09624	2.1
127.03881	2.2
129.07005	3.0
131.08562	8.0
133.04947	5.9
133.06511	2.5
133.10085	10.0
135.08073	10.9
137.05968	100.0
138.06303	2.3
143.08540	6.9
145.04985	4.8
145.06441	3.4
145.10115	7.9
147.08035	6.6
147.11671	5.4
149.09589	8.2
151.07578	2.5
155.08556	3.6
156.09290	3.7
157.10107	9.3
159.08008	6.2
159.11636	3.7
161.09637	15.4
163.06035	2.3
163.07521	6.1
163.11200	4.5
167.08603	3.0
169.10159	3.4
171.08080	2.3
171.11659	4.5
173.09634	8.2
173.13278	2.7
175.11186	10.3
177.09094	7.3
179.10689	2.4
183.11755	4.9
185.09645	3.6
185.13324	3.2
187.11108	6.6
189.09039	6.2
189.12750	2.7
189.16432	4.1
191.07059	3.4
193.10132	3.5
193.12482	2.2
195.11711	4.1
197.09587	2.4
197.13266	7.0
199.11131	4.6
199.14818	2.7
201.12735	3.6
203.10587	3.6
207.11682	2.4
209.09645	2.5
209.13251	4.4
211.11119	2.2
213.12766	8.7
213.16386	2.9
217.15804	3.8
219.10126	2.5
223.14813	4.4
225.12732	5.5
227.14235	3.7
229.15771	2.4
231.10092	15.2
235.16910	18.0
239.14409	5.6
241.12331	3.5
243.13867	11.1
251.14334	2.6
255.13734	3.3
255.17491	2.4
256.14697	2.7
257.15268	2.6
283.17078	2.3
285.14847	10.9
287.16595	2.9
315.15839	14.7
349.23828	4.5
357.16882	7.1
375.18719	2.9
377.24603	4.8
387.23096	3.4
393.20587	33.1
405.19791	5.0
405.24777	17.3
421.19861	8.4
423.20987	3.9
423.25790	3.7
435.21182	3.1
451.20831	4.6
465.22302	11.4
483.23877	20.0
493.26367	4.6
511.26907	5.6
529.27728	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01879	0.9
55.05488	0.8
57.03436	1.2
65.03946	1.6
67.01871	0.9
67.05494	1.4
69.03426	10.1
69.07024	0.5
73.02920	0.9
79.05062	0.9
79.05495	15.1
81.03389	0.5
81.07056	84.5
82.07398	1.2
82.07870	0.5
83.04992	0.6
85.02898	2.0
91.05479	9.7
91.06011	0.8
93.07040	1.7
95.04951	2.7
95.08601	0.7
97.02909	1.6
105.07034	2.9
107.04977	0.5
107.08606	3.7
109.06516	27.1
109.10162	0.5
114.88995	0.4
115.05446	1.7
117.07003	3.4
119.04927	1.3
119.08572	4.3
121.06509	1.4
121.10094	0.7
123.04434	1.3
123.08057	0.9
128.06233	0.8
129.07007	1.8
131.08601	2.7
133.04991	0.8
133.06485	0.8
133.10115	1.6
135.08046	4.6
137.05977	100.0
138.06316	1.9
139.07524	0.6
140.58328	0.5
142.07796	0.5
143.08583	2.1
145.06491	8.2
145.10127	1.0
147.08023	5.4
147.11650	1.1
149.05978	0.8
149.09639	1.1
151.07507	0.7
153.05383	0.6
155.08488	1.2
157.10133	1.6
159.08099	2.0
159.11668	0.7
161.09625	2.9
163.07532	5.2
163.11139	0.5
165.05469	0.7
165.09097	0.6
169.10112	1.2
171.07976	1.0
171.11748	1.0
173.05954	1.7
173.09654	2.2
175.07549	9.2
175.11176	0.8
177.09172	0.7
178.07733	0.5
179.08617	0.8
181.10130	1.2
182.30051	0.5
183.08099	0.9
183.11674	1.1
185.09605	1.6
185.13271	0.7
187.11182	1.7
189.09125	1.5
189.16385	0.6
191.07025	5.8
193.10158	1.0
195.11742	1.4
196.08826	0.5
197.09621	1.3
197.13293	0.8
199.11276	1.0
201.09155	0.8
201.12660	2.8
203.07030	13.2
203.10555	1.2
204.07297	0.6
206.10912	0.5
207.11761	0.7
209.09755	0.7
211.11191	1.1
213.09181	1.0
213.12726	3.3
215.10663	0.8
215.14291	0.7
223.11357	0.8
225.12674	1.7
226.13469	0.5
227.10738	0.9
227.14270	1.1
229.12228	1.2
229.15837	0.5
230.12903	0.7
231.10182	1.8
231.13701	1.2
235.16850	2.5
237.12810	0.9
238.13600	0.7
239.14284	1.5
241.12169	1.5
243.13780	1.0
249.12685	0.9
251.14336	0.8
253.12057	0.6
255.13785	1.6
256.14520	1.0
263.14374	0.6
265.12552	0.5
265.15921	0.6
267.13712	3.0
269.15344	1.0
273.14905	0.7
281.15369	0.6
283.13370	1.1
283.16699	0.5
285.14795	3.7
293.15384	1.6
297.14850	0.9
309.14890	0.7
311.16260	0.9
315.15747	2.3
357.17456	0.5
375.18005	2.4
393.20544	3.5
403.18958	5.5
405.20450	1.0
421.20071	38.4
422.20242	2.9
433.20093	11.0
434.20340	0.6
435.21548	1.5
447.21304	1.0
451.21198	12.7
452.21320	1.7
453.22791	0.6
463.21072	0.7
465.22690	2.3
475.20657	2.3
481.22043	2.0
493.22198	5.8
511.23251	10.6
512.23096	1.0
524.52008	0.6
546.26715	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24620	2.1
53.03950	4.5
55.05508	3.3
57.03424	2.2
60.19154	1.8
63.43637	1.9
67.05494	5.6
69.03434	9.6
69.07055	5.7
71.32052	1.9
79.05494	9.1
81.07057	56.0
83.04988	4.5
91.05507	9.3
93.07036	11.7
93.93829	2.4
95.04980	3.2
95.08617	10.1
97.02894	2.0
97.06544	2.9
102.39551	2.2
105.06998	12.8
107.05011	2.3
107.08590	6.4
109.06525	20.5
109.10122	2.3
111.04409	2.2
111.08129	2.3
117.07001	4.4
119.08581	10.5
121.06484	2.0
121.10131	4.7
123.08076	6.2
128.06265	3.6
129.07033	7.3
131.08560	5.9
133.09312	2.1
133.10156	8.9
135.08078	3.2
135.11742	2.6
137.05969	66.3
141.07048	2.3
143.08554	14.0
145.10132	7.1
147.08054	5.1
147.11676	4.7
155.08592	6.7
156.09303	2.4
157.10135	9.0
159.08122	2.5
159.11665	5.4
161.09642	5.4
161.13275	4.0
163.11168	2.2
167.08524	4.1
169.10083	4.2
171.11691	13.3
173.09703	5.3
175.07652	3.6
175.11273	3.3
179.08557	3.3
181.10127	5.2
183.08167	2.8
185.09586	3.3
189.09157	3.7
189.12717	10.2
193.10199	3.7
193.38629	2.4
195.11792	4.3
197.09691	4.4
197.13208	5.2
199.11171	4.7
201.09171	2.6
203.10721	3.4
207.11720	6.0
209.09647	5.0
209.13246	2.5
211.11177	2.4
211.14845	4.8
221.09727	2.3
221.13283	3.6
223.14862	4.9
225.12796	3.2
227.10770	4.1
227.14273	3.1
233.13229	3.4
235.11093	5.0
239.10545	2.5
239.14314	5.5
241.15878	3.8
249.12756	6.6
251.14313	4.3
253.12270	4.6
263.14175	2.8
267.13925	10.8
268.14520	7.5
269.15506	5.6
285.14883	3.3
296.14093	2.9
387.19458	3.5
405.20566	7.6
405.29874	9.8
415.19043	7.3
423.21655	39.8
424.21793	3.1
433.20084	76.1
434.20428	5.1
449.22775	16.0
451.21167	100.0
452.21463	6.5
465.22821	7.4
467.24054	5.4
469.22174	17.6
475.20261	10.1
493.21710	29.8
494.22089	3.8
511.22745	19.3
546.27026	14.7
546.33832	2.8
547.27454	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04264	0.7
50.75747	0.7
52.34108	0.8
53.03948	1.7
55.01871	10.3
55.05504	2.7
57.03435	22.4
57.07063	2.3
58.14074	0.7
59.04999	2.3
61.02930	7.9
67.05500	6.2
69.03431	27.4
69.07065	5.9
71.01347	6.2
71.04986	1.5
73.02504	1.6
73.02915	32.8
74.89199	0.7
75.04451	0.9
77.03899	0.9
79.05489	6.5
81.03404	4.8
81.07053	18.8
81.90998	0.7
83.04975	0.9
83.08609	1.8
85.02903	53.5
86.03232	0.9
87.04465	4.1
91.03942	2.0
91.05477	4.0
93.07036	8.6
95.08611	16.6
97.02890	42.4
97.06462	0.9
97.10179	1.9
98.06047	1.1
98.22597	1.3
99.04446	2.0
103.03952	2.9
105.07032	8.9
107.08586	7.9
109.02880	3.5
109.06520	4.8
109.10146	8.1
111.04430	2.7
111.08040	1.2
115.03928	22.8
117.07001	0.9
119.08578	11.1
121.06526	1.0
121.10129	4.1
123.04427	1.7
123.08079	2.1
123.11716	2.1
125.05983	1.0
127.03923	14.3
131.08577	1.9
132.06581	1.1
133.04970	28.7
133.06541	2.0
133.10126	16.4
133.11064	1.4
135.08037	1.4
137.05978	11.0
137.13219	1.2
138.06316	1.7
139.07513	2.8
140.04782	0.7
143.08549	1.5
144.06523	1.8
145.04955	23.5
145.10098	1.5
147.07986	2.5
147.11688	7.3
149.09648	1.0
149.13266	4.5
150.07625	2.3
151.07452	1.6
153.09053	1.2
157.10118	1.4
159.11624	1.1
161.09627	3.1
161.13264	3.0
162.07593	1.8
163.06052	6.4
165.09102	4.0
175.11200	1.7
179.10660	3.2
180.08638	2.1
181.04942	0.8
185.15356	0.8
189.16388	14.8
190.16708	1.0
193.04857	1.0
193.12248	2.2
199.05966	1.3
199.61664	0.9
211.05891	0.9
217.06960	0.9
217.15872	25.7
218.16164	1.3
223.05989	3.4
235.16924	100.0
236.17253	4.2
241.07092	4.9
259.08163	3.7
295.10092	1.2
349.20044	6.6
379.21115	2.4
405.20657	2.2
451.21051	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.4
67.05514	3.6
69.03439	10.8
79.05494	5.0
81.07042	14.1
85.02905	2.5
91.05473	8.9
93.07059	5.8
95.04984	4.3
95.08625	4.2
97.02902	2.4
97.06547	2.4
105.07037	12.2
106.07394	2.5
107.04973	2.1
107.08606	4.4
109.06535	7.0
109.71785	2.0
111.08094	2.3
116.24136	2.6
117.07059	4.0
119.04963	3.2
119.08609	9.0
121.06534	3.7
123.08094	4.0
129.07010	3.7
130.73009	1.8
131.08583	4.1
133.10143	5.5
135.08076	3.8
137.05939	15.9
138.06326	4.2
139.07594	5.1
141.06981	2.9
142.07747	2.7
143.08578	6.7
145.06488	2.7
145.10199	3.7
147.08061	3.7
147.11649	2.3
149.06088	1.8
149.09605	2.1
151.07466	2.3
155.08539	5.5
157.10135	7.4
159.08089	5.9
159.11726	7.0
160.08423	2.5
161.05974	2.4
161.09601	4.4
163.07652	3.1
167.07080	2.4
167.08551	2.1
169.10135	3.4
171.08151	2.9
173.09665	7.9
175.11218	4.6
181.10135	2.7
185.04291	2.9
185.09630	4.2
186.06573	4.3
187.07619	2.2
187.11205	4.5
187.14861	3.0
188.11697	2.8
189.09134	2.9
195.11827	2.2
199.11234	3.7
199.14922	2.2
201.12808	1.9
203.05244	9.6
204.05692	2.6
207.10059	2.1
209.13364	2.4
213.09021	2.4
215.10606	1.8
216.56444	1.9
217.15990	3.7
231.13878	2.0
235.16945	21.0
265.10889	6.7
317.08331	1.9
392.19247	2.8
410.20474	5.3
422.20364	4.1
438.20114	6.4
440.21429	5.3
441.22903	2.2
450.20102	7.3
453.22742	15.0
455.24356	2.8
456.21213	5.9
464.21811	4.4
466.23169	4.4
468.21094	12.8
482.22580	3.3
483.23840	3.2
485.21796	4.2
486.22040	46.4
492.21060	8.4
493.22278	2.1
500.23306	4.2
510.22067	6.6
546.20355	100.0
547.20624	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.7
53.74732	1.3
55.01868	5.0
57.03438	12.6
59.04989	1.9
61.02926	3.5
67.05507	4.9
69.03432	24.0
69.07063	2.8
70.46533	2.5
70.46863	1.8
71.01335	2.4
73.02923	19.7
75.49607	1.3
79.05499	15.2
81.03429	2.9
81.07059	93.9
83.08605	1.7
85.02909	29.2
87.04485	2.0
87.78214	1.3
91.03944	2.4
91.05479	8.2
93.07056	8.7
95.04971	2.6
95.08595	10.8
97.02893	22.1
99.04439	1.6
105.07028	11.9
107.08585	6.7
109.02882	4.0
109.06517	26.4
109.10175	3.7
111.46262	1.4
115.03915	13.7
117.07029	4.1
119.04934	1.3
119.08590	12.8
121.06496	2.6
121.10115	2.3
123.08055	2.4
125.06049	1.3
127.03886	8.5
129.07021	3.8
131.08569	4.3
133.04984	14.4
133.10144	13.3
135.08067	2.3
137.05974	100.0
139.07494	1.4
143.08551	4.5
145.04935	10.9
145.10135	4.0
147.08049	3.9
147.11687	7.0
151.07594	1.5
155.08569	4.7
156.09457	1.4
157.10104	4.2
159.08096	3.9
159.11676	3.7
161.09691	4.3
161.13200	8.7
163.06035	3.3
163.07344	1.9
165.09067	1.9
169.10072	4.7
171.11745	2.6
173.09593	11.6
175.11142	6.0
179.10677	2.9
183.11729	3.0
187.11137	2.1
188.11908	1.9
189.09122	2.1
189.12746	4.9
189.16386	30.8
190.13470	8.2
190.16580	1.6
195.11671	2.2
197.13228	1.6
199.14890	1.8
209.13316	1.7
211.11263	1.6
215.10614	3.1
216.11461	3.0
217.15907	13.3
225.12735	1.5
227.10876	1.7
231.10011	2.0
233.11688	5.8
233.15424	1.3
235.16924	32.4
236.17293	3.1
243.17525	3.1
274.95065	1.5
287.64734	1.4
311.45905	1.5
313.17984	3.1
314.15094	1.7
315.15866	6.1
330.18402	6.4
331.18573	1.5
347.68848	1.4
353.14398	1.5
357.17065	10.7
358.17801	1.5
360.86935	1.4
374.17004	1.6
375.17923	5.7
405.20453	3.2
421.23672	5.1
433.19980	3.4
447.21429	6.3
449.23175	1.8
451.21161	33.2
452.21674	3.2
461.26718	2.2
462.60165	1.5
463.36490	1.6
465.22824	6.3
467.24313	10.5
475.21136	3.9
483.23550	2.6
493.22223	24.5
511.23267	15.8
513.24249	1.7
528.26160	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66188	14.0
55.05510	20.1
57.63414	12.9
66.54224	14.5
67.05518	15.0
67.23083	14.0
69.07088	18.9
69.12624	78.0
69.13042	50.2
73.41543	13.4
81.07029	18.8
84.23825	17.3
89.21973	16.6
91.05510	21.6
93.07060	28.7
95.04964	17.0
95.08620	41.5
105.07037	26.3
106.35630	15.2
107.08548	14.6
119.08586	34.1
121.10168	15.5
123.08103	23.8
133.10135	24.0
143.08549	23.9
145.10117	23.1
155.08572	25.0
157.10168	24.7
159.11729	22.9
161.09723	16.2
161.13292	15.6
169.10127	16.2
171.11731	27.0
178.89749	15.2
183.11760	23.9
192.09433	14.7
193.10106	27.4
195.11690	23.0
197.13190	17.2
198.54626	16.4
207.11694	26.8
209.09824	14.2
211.11337	16.3
211.14722	15.3
218.55450	15.1
223.14867	18.7
249.16272	14.4
251.17879	24.9
277.15799	20.9
291.17679	16.6
295.16910	38.1
321.18643	20.2
377.20920	19.7
389.24631	21.9
407.26044	19.0
417.24133	83.7
433.59177	16.8
435.25443	100.0
436.26221	18.0
453.26392	84.1
489.25049	15.4
546.20337	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78169	3.2
55.05515	9.9
59.05008	3.2
63.58690	3.3
67.05508	21.3
69.07316	29.1
71.71989	3.5
76.83864	2.8
79.05508	12.8
81.07050	15.4
83.04990	11.3
83.08641	3.1
91.05499	13.9
93.07044	21.1
95.04942	3.8
95.08604	45.1
105.07031	21.1
107.08600	16.8
109.06551	6.3
109.10163	9.3
111.04461	7.2
111.08076	4.6
117.07019	7.1
119.08598	18.7
121.06488	7.6
121.10139	7.6
123.08086	14.1
128.06219	9.4
129.07082	7.9
131.08604	10.2
133.10124	16.3
135.11697	4.7
139.07547	4.6
142.07774	11.0
143.08588	22.4
145.10133	17.6
147.08070	7.1
147.11693	6.4
155.08553	12.2
156.09363	7.7
157.10112	21.3
159.11740	13.6
161.09663	12.1
161.13306	6.9
163.11272	3.4
165.06987	9.6
166.07877	3.3
167.08635	10.1
169.10117	16.1
170.10732	3.6
171.08046	8.2
171.11674	19.7
173.09674	4.1
173.13254	8.0
179.08617	6.9
180.09334	6.4
181.10136	16.2
182.10771	5.7
183.08092	4.3
183.11748	16.2
184.12437	4.5
185.13284	8.9
187.11261	4.4
187.15012	3.5
189.12843	4.7
192.09354	4.0
193.10162	10.9
194.10834	4.6
195.11717	15.2
196.12277	3.8
197.09642	6.5
197.13258	11.6
199.11125	5.7
199.14827	4.6
201.09218	3.8
201.12708	5.9
205.10149	4.2
207.11674	15.0
209.09599	4.4
209.13257	20.2
210.13979	4.5
211.11290	9.3
211.14828	9.4
213.12610	4.7
219.11705	9.6
221.13293	9.1
222.13853	4.6
223.11240	7.6
223.14832	15.0
225.12759	6.7
225.16299	3.9
227.14320	6.7
229.12233	3.4
234.13873	3.5
235.14865	7.0
237.12764	8.9
239.10727	5.7
239.14378	6.9
239.18051	4.4
241.12224	6.4
247.14801	6.5
249.12579	4.6
249.16467	9.1
251.14389	8.5
251.18056	4.9
253.15884	7.2
255.13866	5.7
262.13327	4.2
263.14377	4.4
265.15942	5.5
267.13687	5.0
267.17474	4.6
269.15463	6.4
273.16376	4.5
275.14249	4.1
277.15918	13.6
293.15625	4.6
295.17053	23.9
297.18481	5.7
309.18509	3.9
313.18018	4.1
321.18665	13.3
339.19739	6.8
349.21774	5.6
377.20981	7.9
389.24835	12.4
391.22443	16.4
395.22037	10.2
399.23135	12.4
405.29764	4.9
407.25882	17.0
409.23761	14.9
417.24194	62.4
418.14093	3.9
418.24722	6.6
435.19339	6.2
435.25317	100.0
436.25650	10.1
453.26373	75.5
454.26581	5.5
511.27124	4.7
529.28021	8.9
546.37415	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.8
55.05510	32.4
55.68120	1.3
67.05502	7.9
69.07076	2.0
71.30991	1.8
79.05502	4.9
79.84289	1.3
81.07061	6.1
81.13923	1.6
83.04486	3.0
83.04984	61.2
83.08635	2.1
84.05337	1.8
87.08135	1.6
91.05470	3.8
93.07059	5.6
95.08617	6.5
97.06538	1.9
103.05457	8.1
105.07047	6.5
107.08599	5.9
109.06529	3.8
109.10117	2.1
119.08595	4.4
121.10172	2.7
123.08133	2.0
131.04915	20.4
131.08559	1.9
133.10147	2.7
145.10173	1.7
149.09616	2.2
157.10110	2.8
159.11734	1.5
164.47540	1.5
171.11719	2.1
194.91115	1.8
243.06557	2.2
257.08093	2.6
262.12173	2.2
267.06815	2.4
269.08276	1.9
279.10178	2.1
280.10742	2.8
281.08325	2.3
282.08710	2.2
284.10428	1.9
285.07608	2.0
291.10379	2.0
293.11838	3.0
295.13348	4.6
298.08347	3.7
299.09125	3.9
301.10666	2.0
306.12411	2.0
307.09650	2.1
307.12988	1.9
309.11118	2.7
309.14624	3.6
312.09827	4.5
313.10715	4.6
314.11575	3.6
315.08853	2.4
315.12289	1.8
316.12830	2.2
317.10239	2.4
318.11014	7.3
321.11224	2.0
322.12195	1.8
323.09537	1.8
323.12671	8.8
324.13620	2.0
327.12262	3.3
328.13013	2.7
331.11682	2.6
332.12595	3.5
333.13263	3.9
337.14340	13.9
338.15158	6.4
339.12436	2.8
341.10162	2.8
341.17529	5.0
342.10712	2.1
345.13400	6.0
351.08093	2.1
353.13779	1.9
354.14236	2.8
355.15515	6.7
359.14938	5.6
369.16977	22.4
370.17682	16.3
381.13242	2.4
386.17255	4.1
387.17490	2.0
395.15012	3.0
397.13089	2.0
401.19598	55.9
402.20267	3.9
405.30283	2.9
407.25986	3.4
411.14261	2.0
414.16678	3.3
417.24023	2.5
423.13977	2.6
424.14487	7.7
427.17691	5.5
451.21222	7.8
483.23822	30.3
483.30746	2.2
484.24176	3.1
528.38013	2.2
546.21814	100.0
547.21680	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	13.7
55.01867	11.0
55.05511	31.9
57.03422	3.9
61.43112	4.0
66.76937	3.6
67.05168	7.6
67.05503	73.8
69.03413	17.4
69.07050	17.3
77.03911	4.1
79.05493	42.6
81.03432	8.1
81.07056	47.0
83.04982	82.6
86.31886	3.8
91.05481	59.6
93.07043	91.9
95.04999	22.4
95.08607	78.8
97.02873	5.1
97.06509	7.1
98.22623	8.0
105.03388	4.2
105.04517	4.2
105.07026	74.7
107.04961	11.7
107.08596	26.7
109.06529	36.2
109.10155	73.0
111.04442	38.6
111.08091	50.5
113.02344	4.7
113.06026	5.3
115.05450	12.0
117.07026	21.7
118.97820	4.9
119.04896	7.3
119.08575	100.0
121.06504	23.9
121.10123	15.2
123.00792	8.2
123.08058	18.5
128.06216	19.0
128.64554	5.4
129.07010	18.2
131.07867	4.0
131.08588	49.0
133.06494	38.7
133.10124	43.6
135.08034	33.0
135.11664	5.1
137.05997	10.1
139.07564	32.7
141.06995	13.9
142.07762	26.1
143.08575	63.7
144.09377	6.1
145.06499	9.8
145.10121	45.1
147.08051	26.1
147.11685	29.6
149.09608	16.7
150.58939	4.0
151.07521	18.0
153.06949	7.1
154.07788	6.6
155.08585	41.6
156.09343	20.2
157.10130	65.2
159.07996	21.0
159.11658	23.4
161.09622	29.2
161.13184	5.5
163.11157	4.5
165.07007	16.5
166.07713	8.9
167.08566	23.3
168.09297	8.0
169.10121	46.7
170.10927	11.5
171.08069	15.0
171.11682	43.7
172.08893	5.8
173.09621	19.0
173.13254	12.4
175.07570	8.4
175.11221	9.3
177.09048	5.5
178.07803	6.0
179.07204	4.8
179.08542	20.4
180.09364	19.7
181.10110	39.4
182.10854	13.8
183.08116	6.2
183.11687	40.6
184.12364	7.5
185.09642	19.6
185.13245	14.7
186.10216	5.6
187.11159	12.1
189.09071	7.4
189.12718	6.3
191.10591	9.2
192.09323	7.2
193.08577	44.4
193.10158	26.0
194.09131	4.4
194.10913	11.4
195.08055	10.2
195.11684	34.5
196.12448	14.1
197.09641	15.5
197.13254	27.3
198.10312	7.5
198.14005	5.1
199.11121	14.3
199.14842	16.0
201.12791	8.1
203.08800	7.0
203.10721	11.2
204.09348	7.3
205.10165	13.7
206.10863	15.5
207.11668	30.3
209.09612	15.2
209.13264	28.2
210.10234	5.4
210.14058	5.8
211.11198	18.7
211.14816	20.3
213.08975	5.3
213.12769	12.1
213.16347	6.5
215.10661	8.4
217.10124	7.0
218.10912	6.5
219.11783	10.2
220.08847	4.9
220.12384	8.8
221.09558	7.3
221.13297	24.8
222.10391	6.7
223.11203	17.8
223.14790	17.1
224.11911	6.0
225.09238	5.7
225.12695	16.0
225.16396	12.4
227.10619	8.7
227.14261	14.2
229.10326	5.6
229.12291	5.6
231.11656	13.4
232.12439	7.5
233.13266	19.8
234.13940	4.6
235.11186	6.9
235.14806	20.1
237.12785	13.2
237.16287	10.4
239.10660	6.6
239.14371	22.4
239.17923	7.2
241.12187	7.4
243.11665	9.7
244.12505	6.8
245.13235	10.8
245.15424	10.9
246.13899	6.3
247.14890	12.2
249.12874	7.9
249.16292	6.8
250.13326	6.6
251.14304	9.2
253.12273	7.2
253.15688	5.6
256.12415	5.4
257.13049	8.4
257.15350	17.3
259.14774	13.9
261.12778	5.3
261.16434	9.5
262.17218	5.9
263.14319	17.1
263.17807	6.7
264.14853	6.8
265.15924	10.9
270.14099	5.0
273.16299	6.5
275.17999	4.3
277.15781	15.5
277.19016	5.9
279.13837	6.1
279.17395	4.3
281.15396	16.2
285.16412	4.7
286.13644	5.1
287.14297	6.8
289.15897	6.2
291.17438	7.7
291.20819	5.2
295.16949	6.5
299.16544	6.5
303.17361	6.3
305.19046	5.1
307.16840	5.5
319.17096	7.2
319.20520	6.4
337.21695	13.1
361.21603	5.8
375.15536	7.3
393.16913	7.9
405.24298	13.7
411.17972	6.9
411.22937	5.6
413.24982	6.1
415.23282	9.4
417.20569	6.4
429.24091	9.7
431.25851	7.6
433.23715	10.8
439.22565	7.9
457.23697	17.6
469.22092	12.5
475.24881	31.2
493.25568	22.2
511.27194	25.1
529.27765	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.6
53.03939	1.5
55.05511	15.7
56.17641	0.7
56.49870	0.6
67.05501	4.7
69.07067	2.3
69.09923	4.3
69.10329	1.3
71.04989	0.9
79.05485	3.4
81.03418	2.2
81.07052	4.2
83.04980	100.0
83.08610	0.7
84.05322	1.5
87.00845	1.3
91.05479	6.0
93.07053	6.9
95.04966	3.2
95.08612	10.3
97.06564	1.3
99.04450	0.8
103.05479	4.8
105.07025	8.6
107.04980	1.5
107.08604	5.9
109.02861	1.2
109.06542	3.0
109.10170	1.9
111.04456	2.1
111.08080	2.6
115.05428	0.7
117.07054	2.1
119.08575	8.0
120.49794	0.6
121.06502	2.7
121.10149	2.5
123.08054	3.5
128.06227	1.5
129.07022	3.1
130.07809	0.9
131.04926	7.7
131.08566	5.0
133.10133	4.5
135.08052	1.7
135.11691	0.8
137.05974	1.0
137.09624	1.9
139.07571	2.6
141.07036	1.8
141.09103	0.9
142.07787	2.5
143.08577	5.7
144.09395	0.8
145.06511	1.4
145.10120	6.7
147.08066	2.6
147.11681	3.5
149.05989	0.8
149.09679	1.4
151.07509	0.7
154.07811	0.6
155.08551	3.2
156.09354	1.7
157.10139	6.5
159.08084	2.5
159.11696	7.0
161.09650	5.3
161.13301	1.6
163.11232	1.5
165.07028	0.9
167.08559	1.4
168.09341	1.4
169.10107	4.7
170.10904	1.5
171.08070	1.0
171.11661	4.9
173.09657	2.0
173.13329	2.3
175.11212	2.4
179.08588	1.0
181.10146	2.7
182.10927	1.1
183.08101	1.0
183.11693	5.6
184.12357	1.0
185.09648	3.2
185.13249	7.6
187.11156	4.5
187.14885	1.0
189.12788	2.2
193.10187	1.3
193.12071	0.6
195.07973	0.7
195.11755	1.9
196.12572	0.9
197.09692	0.8
197.13232	3.1
198.10400	0.6
199.11235	1.9
199.14807	1.1
201.12759	3.6
203.14311	0.9
205.12309	0.8
206.10896	0.7
207.11768	2.2
209.09511	0.8
209.13266	2.6
211.11186	3.0
211.14835	1.6
213.12743	3.7
213.16437	0.7
215.14326	1.4
221.09647	0.9
221.13283	1.1
223.11186	1.5
223.14845	1.2
223.82695	0.8
225.12798	1.9
225.16391	1.5
226.17081	0.7
227.14388	3.3
229.15869	1.0
231.13853	2.7
233.13304	1.6
239.14291	1.4
239.17940	1.5
241.16022	1.0
249.16405	1.8
252.14981	0.8
253.16069	1.0
265.15884	1.3
267.17401	3.0
281.19110	1.2
283.16846	1.2
299.20111	1.4
307.20502	1.3
309.18506	2.3
323.20224	2.1
325.21533	3.8
327.19595	5.3
345.20615	3.5
347.89612	0.6
351.19382	1.6
365.24930	1.5
369.20456	3.0
379.26367	2.0
383.25806	2.5
389.24725	2.0
406.25009	0.8
407.25824	12.1
408.26025	1.6
425.27182	0.8
475.24872	1.1
493.26117	0.8
541.30902	0.6
546.29852	1.6
547.23132	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44072	4.1
55.05511	39.2
63.89442	3.4
67.05481	11.6
71.04990	6.6
71.32156	4.3
73.02954	4.4
75.14392	4.3
79.05490	11.7
81.03436	5.5
81.07063	16.2
83.04981	100.0
91.05476	17.2
93.07038	12.1
95.08607	12.6
105.04478	4.5
105.07020	13.0
107.08613	12.7
109.10163	8.1
117.07029	8.8
119.08575	17.7
121.06520	5.6
121.10131	6.1
123.08027	5.8
128.06197	9.8
129.06981	6.2
131.08553	9.8
133.06461	4.7
133.10107	11.9
137.06001	4.1
143.08525	8.5
145.06506	5.2
145.10193	5.9
147.11699	5.9
157.10100	7.1
159.11653	6.3
159.76981	3.9
161.09502	4.4
171.11658	6.7
172.68788	4.1
173.09602	6.1
185.13290	4.7
187.11159	5.8
197.05887	4.7
199.11237	7.0
211.13240	4.3
213.09061	4.8
215.07060	12.0
225.09172	4.7
233.08028	8.9
239.06976	6.5
241.08484	4.3
247.59003	5.1
253.08580	7.4
259.16840	4.9
265.08594	4.4
265.12170	6.3
267.10059	8.8
269.08035	5.4
278.09378	5.3
279.06375	7.6
281.08029	8.1
285.07712	4.7
285.11298	5.3
293.08008	4.4
295.09659	10.0
297.07614	6.9
297.11337	4.9
298.08417	5.6
299.09064	8.4
311.08978	6.8
313.10489	7.3
314.11282	7.6
315.08557	9.5
325.10474	7.2
329.10214	23.5
339.19577	4.7
341.10175	6.4
343.11707	16.4
351.12155	8.6
352.13184	5.6
353.13696	9.8
357.13388	23.5
361.81317	4.2
369.12888	4.5
371.14978	28.9
383.14938	41.9
401.15753	51.8
402.16129	6.9
423.14172	8.7
424.14340	17.3
453.28485	5.1
475.25089	6.2
546.28876	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50523	7.0
54.13606	7.3
55.05534	11.0
66.77707	5.9
67.05499	25.1
68.96160	6.7
69.03782	32.8
69.04207	39.5
79.05503	21.0
81.07060	21.8
83.04986	21.8
91.05509	29.1
93.07047	38.4
93.91610	7.5
95.04968	24.1
95.08614	59.5
97.06557	8.2
99.65134	6.4
103.11732	7.9
105.07041	41.2
107.08571	37.3
108.67724	6.8
109.06557	15.1
109.10171	15.3
111.04452	17.3
111.08086	14.8
119.08615	39.7
121.06516	23.7
121.10134	19.5
123.08075	26.1
129.07024	8.8
129.61073	7.1
131.08603	27.9
133.10144	26.5
135.08064	23.6
137.06001	7.6
137.09641	10.0
139.07529	14.7
142.07811	6.7
143.08623	26.2
145.06516	7.4
145.10152	26.4
149.09642	9.6
155.08559	18.8
156.09322	8.9
157.10146	24.9
159.08081	27.2
159.11687	21.1
161.09627	16.9
163.07533	11.1
165.05513	9.9
169.10194	17.3
171.08025	9.5
171.11798	13.1
173.09663	21.1
173.13289	13.0
175.07509	7.8
177.09177	20.8
179.08461	8.0
179.10730	10.6
181.10188	14.9
183.11711	19.6
183.90137	8.0
185.09618	20.7
185.13350	9.3
187.11218	16.8
189.12703	8.5
193.10129	11.5
195.11655	15.8
197.09734	8.5
197.13380	8.6
199.14900	8.1
201.12753	11.0
205.08435	9.9
207.11780	24.8
211.11217	12.9
211.14865	14.6
221.13319	12.0
223.09747	32.4
223.15031	6.8
224.60492	7.5
231.11568	9.2
233.13251	9.8
237.12790	10.9
259.14859	11.5
261.16248	11.3
275.14337	9.5
277.16016	7.9
279.17505	7.6
285.73663	7.7
309.18521	8.6
317.15189	8.8
325.18195	12.6
401.24512	8.9
402.25443	8.1
419.25626	19.1
429.24124	19.5
431.25912	18.8
433.23660	11.1
436.28589	8.8
439.22690	16.8
447.25436	19.4
449.26907	25.9
451.24838	14.1
457.23785	42.2
460.54150	7.6
467.27887	28.8
475.24899	74.1
493.25797	100.0
511.26874	58.3
512.27551	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.5
55.05511	41.9
57.03418	8.5
57.05139	7.9
67.05510	39.9
69.03427	43.9
69.07060	22.5
69.09337	59.3
70.05930	6.9
73.02911	8.6
79.05499	33.2
81.03413	17.1
81.07066	41.5
83.04959	22.2
83.08595	14.1
85.02892	21.8
91.05474	54.6
93.07033	63.3
95.04979	26.7
95.08610	68.7
97.02884	18.6
97.06544	12.4
98.23559	6.8
105.07040	65.1
107.08611	52.4
109.06540	19.6
109.10151	11.1
109.93469	7.9
111.04442	20.9
111.08109	7.8
115.03949	9.6
117.06988	14.6
119.08583	45.9
121.06493	65.8
121.10144	16.5
123.08071	32.6
127.15028	7.6
129.06995	17.1
131.08557	49.8
133.04953	7.8
133.10139	54.7
135.08055	52.7
135.11705	11.3
137.06047	12.1
137.09610	14.9
139.07504	10.2
141.06961	13.9
142.07799	15.4
143.08525	31.1
145.10104	46.8
147.08037	26.8
147.11693	21.4
149.09608	44.6
155.08553	15.4
156.09303	20.9
157.06453	7.2
157.10152	54.0
159.08076	48.9
159.11682	32.5
161.06120	7.6
161.09613	50.2
163.07552	17.1
163.11256	9.8
167.08580	11.7
169.10146	26.4
171.08063	9.4
171.11678	34.9
172.08865	9.0
173.09608	36.4
173.13315	13.2
175.07545	20.8
175.11183	17.7
177.09109	17.2
179.08540	10.2
181.10126	19.0
182.10931	7.2
183.08064	16.6
183.11702	27.1
185.09683	33.5
185.13255	22.9
187.11139	21.5
189.09087	29.0
189.12717	10.3
193.10182	17.4
194.10959	9.8
195.11729	28.0
197.09605	14.8
197.13321	25.3
199.11256	33.7
199.14754	17.5
201.12762	17.4
203.10739	8.3
207.11707	11.0
209.09669	16.6
209.13255	21.8
210.10275	8.2
211.11087	15.7
211.14880	17.5
211.83342	8.2
212.11946	8.6
213.08987	8.1
213.12778	19.7
213.16408	30.1
217.15874	13.1
219.08200	9.0
219.11774	10.7
221.13290	16.4
223.11142	13.1
223.14691	15.0
225.12799	32.7
225.16292	10.8
227.14320	26.2
229.12302	10.0
235.14827	7.7
235.16951	22.8
237.12810	12.9
239.14359	14.7
241.15944	12.2
243.11623	9.1
243.13861	19.7
243.17375	9.6
245.13139	10.0
249.12654	11.0
251.14320	12.2
253.15828	10.7
255.13826	19.4
255.17415	12.5
261.12878	10.9
263.14307	12.8
275.14066	8.5
277.16003	9.4
279.13406	7.3
279.17447	14.8
281.18854	9.3
293.15253	10.8
293.19125	10.4
295.16879	12.5
303.17474	11.5
311.19757	7.8
337.17581	9.2
347.20197	8.9
349.23792	8.4
356.48785	7.8
359.23532	21.2
363.23071	14.5
377.24747	27.5
387.23111	27.8
405.24258	100.0
406.24670	9.1
423.25424	23.8
433.23819	12.5
439.22534	10.4
447.25742	8.7
449.26648	11.5
451.24945	11.9
457.23813	15.4
475.24719	30.9
493.25903	46.4
511.26831	46.3
529.27991	96.0
547.22565	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84275	1.0
53.03955	2.3
55.01871	2.2
55.05495	2.5
67.05509	4.5
69.03430	5.0
69.07078	1.2
70.01299	4.9
71.49886	1.1
75.54832	1.2
79.05496	7.0
81.03402	2.2
81.07056	6.8
81.07452	1.1
81.14898	1.1
83.04986	2.3
84.01614	0.9
85.02900	1.9
91.05487	16.4
93.07048	9.3
95.04945	5.2
95.08611	6.5
97.02791	1.1
97.06539	3.6
105.04500	1.2
105.07030	20.0
107.04984	2.5
107.08596	8.4
109.02906	1.5
109.06532	4.6
109.10148	3.3
111.08102	1.4
115.05451	2.7
117.07024	5.5
119.04964	2.1
119.08575	21.0
121.06508	5.0
121.10133	2.9
123.08068	3.2
123.11752	1.5
127.03883	1.4
128.06250	3.8
129.06989	10.9
131.04973	1.4
131.08551	13.1
131.70416	1.2
133.06490	9.3
133.10147	10.5
135.08046	12.7
135.11691	7.8
137.05983	3.4
137.09604	3.3
141.06990	3.3
142.07785	4.3
143.08578	9.3
145.06474	5.1
145.10117	6.4
147.08049	15.6
149.05965	2.0
149.09647	4.7
151.07590	1.8
155.08560	6.4
156.09335	3.1
157.06462	2.6
157.10152	10.4
159.08049	22.8
159.11720	3.7
161.05998	3.9
161.09602	9.4
163.11340	1.1
165.07030	2.2
167.08586	3.4
168.09442	1.3
169.10138	7.1
171.08058	4.6
171.11716	8.4
172.08772	2.3
173.05992	2.6
173.09688	8.2
173.89171	1.1
175.07550	6.0
175.11169	4.2
177.09195	1.8
179.08565	2.8
179.10710	1.9
180.09274	1.8
181.10069	6.2
182.10976	1.3
183.08096	3.0
183.11751	6.2
185.09644	9.4
185.13202	2.4
187.07581	3.6
187.11105	5.7
192.09343	1.7
193.08688	2.3
193.10156	4.0
194.10867	1.8
195.08058	1.7
195.11719	6.5
196.12343	2.1
197.09628	5.6
197.13301	4.4
199.07515	1.1
199.11140	6.3
201.09175	3.3
201.12656	1.8
203.10698	1.7
204.09433	1.4
205.10152	2.2
206.10947	3.0
207.11723	7.2
208.12471	3.7
209.09628	3.4
209.13229	4.7
210.10316	2.0
211.11182	5.9
211.14838	2.3
213.09206	2.4
213.12727	4.3
215.10681	2.9
217.10258	2.4
217.12183	2.2
217.15941	2.2
218.10832	1.9
219.08055	1.7
219.11674	3.5
220.09119	1.2
220.12492	2.3
221.09563	2.9
221.13356	5.2
222.10332	1.9
222.14026	1.5
223.11185	6.8
223.14799	3.4
225.12759	5.1
227.14363	2.1
229.10342	1.2
229.12236	6.5
231.11751	2.0
232.12370	2.5
233.13342	3.4
234.10370	1.8
235.11159	2.4
235.14847	4.3
236.11781	1.9
237.12729	4.4
237.16386	2.0
239.10773	1.5
239.14330	3.4
241.12247	3.8
243.11549	1.8
245.09647	1.5
245.13335	2.2
246.10365	2.1
246.14052	1.4
247.11253	2.5
247.14873	2.7
248.11981	2.2
249.12830	5.8
250.13521	1.8
251.10794	2.0
251.14352	5.5
251.17909	1.2
253.12256	2.0
255.13844	1.3
257.13379	2.2
259.13406	4.5
260.11914	2.8
261.12830	3.2
261.16461	1.4
262.13702	2.0
263.10706	1.4
263.14310	6.5
264.15091	1.2
265.15952	4.3
267.13928	1.6
273.12607	2.1
274.13568	1.4
275.14212	6.3
276.15012	1.6
277.15845	4.7
279.13840	3.8
281.15430	2.4
283.14600	1.6
285.12704	1.3
287.14380	2.1
288.14798	1.4
289.12189	1.1
289.15747	1.9
291.13855	2.6
291.17297	2.1
293.15396	16.0
295.17059	2.2
300.14685	1.4
301.15808	2.1
303.13876	4.1
303.17349	1.5
305.15506	1.6
309.14783	3.3
311.16455	3.9
321.14841	18.2
322.15247	1.8
327.16324	1.6
339.15909	40.4
340.16278	3.3
341.15094	1.5
345.16971	1.9
347.19913	2.6
357.16949	100.0
358.17224	6.7
365.21219	2.5
369.18341	1.4
375.18109	10.2
377.74976	1.1
381.18396	1.4
383.22815	1.8
397.21506	3.2
411.23264	5.7
412.23520	1.2
413.24146	3.8
415.22760	2.1
429.24234	4.1
431.25690	4.1
433.23703	2.3
435.21689	1.6
439.22833	8.2
447.25281	4.7
449.26852	12.0
451.24719	3.3
457.17834	1.9
457.23767	20.6
458.24155	1.6
465.26331	4.6
467.28745	1.1
475.24811	29.1
476.24948	3.1
493.25885	67.2
494.26147	6.3
511.26953	29.3
512.27271	2.3
529.27985	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	15.0
55.05512	35.6
67.05490	26.0
69.21448	100.0
70.06573	20.0
81.07044	15.8
83.05010	22.1
85.02937	22.8
85.06532	15.8
89.85510	16.8
91.05487	32.3
91.89796	16.8
93.07038	16.6
93.44129	14.0
95.08661	18.3
97.06541	17.2
100.11279	30.1
105.07071	28.0
111.04469	24.1
119.08555	18.5
127.03876	21.6
129.07028	16.1
131.08559	15.7
133.10124	21.7
145.04965	14.5
145.10112	18.5
157.10088	23.0
161.06146	19.3
199.14839	24.3
217.08557	16.1
217.15855	29.2
259.09625	17.8
286.79379	18.0
475.24573	55.5
545.84686	35.5
546.25562	57.0
546.34210	30.6
547.22168	25.4
547.34357	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.0
55.01871	31.1
55.05513	47.3
57.03437	43.2
57.07059	5.2
65.41470	2.9
67.05505	67.1
69.03433	17.8
69.07058	23.2
71.04977	8.0
73.02910	11.1
74.10654	3.1
79.05062	6.3
79.05489	79.0
81.03417	100.0
81.07054	80.4
81.65720	2.8
82.04202	9.3
83.04973	34.9
83.08617	40.9
84.02122	3.0
85.02908	41.1
87.04433	3.1
91.05477	68.6
91.23242	3.0
93.07042	38.9
93.26329	2.7
95.04963	54.2
95.08601	39.3
97.02891	12.5
97.06535	12.9
97.10157	18.6
98.07323	7.2
99.04423	3.6
105.07029	48.1
107.04969	12.4
107.08581	33.0
109.02895	3.8
109.06521	22.1
109.10126	17.8
111.04398	4.5
111.08073	26.9
115.03909	6.8
115.05383	3.6
115.99048	2.9
116.04701	20.3
117.07018	8.1
119.08578	47.8
119.72727	3.2
121.06522	10.0
121.10160	26.5
123.08049	17.4
123.11631	6.0
125.09627	20.4
127.03908	4.6
128.06255	5.1
129.05473	52.4
129.06927	16.3
131.08565	26.8
133.04945	8.2
133.06525	3.8
133.10126	28.1
135.08051	12.0
135.11671	9.5
137.05980	11.3
137.09653	3.3
142.07813	5.7
143.07060	12.0
145.10112	11.5
147.08031	7.5
147.11670	29.9
149.09622	12.3
153.09198	3.9
157.08623	16.8
157.10117	28.7
161.09651	5.5
161.13222	6.6
163.11137	6.9
165.12772	7.2
171.10149	7.6
171.11525	4.6
175.11194	26.5
175.14789	4.2
179.14308	10.5
181.12294	3.6
182.15619	3.2
185.08101	4.4
187.11140	3.6
189.11227	9.4
189.16420	6.7
193.12236	71.7
199.13301	12.4
209.11751	6.1
211.13287	96.0
212.13634	3.9
218.11020	3.0
227.12735	16.2
229.25851	4.9
235.16902	6.7
245.14775	3.3
267.15967	21.8
283.15128	4.9
285.16940	79.7
286.17313	4.9
298.04160	5.6
299.66797	3.1
301.16464	99.5
302.16705	4.5
331.26306	3.9
344.64914	3.3
349.27313	3.1
405.30032	41.1
453.22565	5.7
493.27121	11.1
494.28842	4.7
511.28931	40.7
546.20984	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	7.8
57.03439	2.2
57.07071	1.7
67.05501	7.7
69.03433	3.6
69.07076	3.3
69.29270	10.6
73.51480	1.6
79.05509	6.6
81.03394	3.9
81.07052	9.4
83.04983	23.4
85.06530	3.4
91.05474	10.3
93.07052	14.9
95.04990	4.6
95.08602	25.4
95.12231	1.4
97.02901	1.8
97.06556	1.9
98.23450	1.5
105.07009	13.6
107.04952	2.0
107.08578	11.3
109.06522	17.6
109.10154	2.9
111.04443	13.0
111.08092	7.5
117.07026	4.4
119.08588	16.5
121.06544	4.3
121.10184	5.3
123.08041	8.2
125.09609	1.6
129.07010	3.7
131.08568	9.0
133.10130	14.0
135.08037	9.5
135.11731	5.0
137.09578	2.6
138.19461	1.4
139.07562	4.3
141.06993	2.0
142.07764	2.0
143.08578	10.1
145.06467	2.4
145.10098	10.9
147.08003	4.2
147.11726	4.9
149.09645	3.3
155.08588	5.9
156.09381	4.0
157.10092	17.0
158.10747	1.9
159.08032	10.6
159.11685	8.3
161.09636	5.5
164.01006	1.6
165.07048	2.6
166.07797	2.4
167.08536	3.2
169.10107	10.5
170.10912	2.1
171.08083	4.2
171.11682	13.1
173.09653	6.0
173.13266	3.0
175.11230	2.7
179.08632	3.1
179.10715	2.8
180.09337	3.1
181.10143	5.8
183.08116	4.3
183.11684	9.5
184.12383	2.3
185.09618	15.1
185.13278	6.0
187.11215	7.5
189.12810	2.5
193.10138	7.4
194.10941	3.1
195.11711	9.0
197.09657	3.8
197.13245	8.1
199.11139	7.8
199.14813	4.0
201.12759	3.2
203.10661	1.6
205.10248	3.9
206.10933	3.5
207.11711	11.2
208.12404	2.2
209.09789	2.1
209.13243	6.2
210.10416	2.2
211.11209	9.5
211.14835	4.3
213.12752	6.9
215.14314	2.4
217.12245	3.5
218.11009	2.2
219.11673	6.6
220.12408	3.3
221.13304	10.1
222.10356	2.1
223.11264	5.1
223.14813	5.0
225.12704	12.1
226.13483	11.4
227.14262	9.4
231.11789	3.7
232.12428	2.7
233.13263	6.4
234.13853	2.1
235.11212	2.1
235.14781	6.0
237.12715	4.3
237.16444	3.4
239.14334	3.8
241.15887	3.4
243.13795	3.8
245.13284	6.1
246.13991	3.8
247.14891	9.0
248.15608	3.0
249.16437	3.9
251.14305	2.7
253.15820	2.6
259.14880	5.9
260.15552	2.6
261.16443	8.0
263.14432	3.8
263.17780	2.3
264.15298	1.9
265.15823	5.9
267.13959	2.2
271.14624	2.9
272.15598	1.9
273.12827	2.1
273.16202	2.1
275.14407	1.8
275.17935	5.6
277.15891	2.1
277.19550	3.7
279.17480	4.6
281.15338	2.1
285.18631	2.0
287.14429	2.4
287.17960	3.3
289.16150	4.1
289.19400	3.5
293.15390	3.4
295.16919	2.7
297.18649	1.9
303.17502	3.8
303.21106	3.3
305.15320	1.8
305.19009	4.3
307.16913	8.4
315.17429	1.8
319.17059	2.6
321.18503	4.8
323.20154	3.8
325.17969	100.0
326.18353	6.1
329.18753	3.9
335.20163	2.7
343.18948	21.8
344.21423	2.1
347.20032	5.9
350.22430	6.3
362.22314	3.4
401.24875	6.6
405.20270	2.2
405.29813	9.7
415.26334	6.0
417.27890	4.6
419.25781	4.5
425.24701	4.4
433.27582	2.6
443.25769	22.4
451.25098	3.0
461.26834	87.9
462.27515	9.2
475.24667	2.2
479.27979	46.3
480.28180	5.1
493.25931	3.9
497.28873	2.1
511.26657	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	15.4
55.05503	32.4
57.37330	9.8
66.64574	10.1
67.05503	44.7
79.05495	37.1
81.03392	14.8
81.07050	44.4
81.38409	10.9
83.04974	34.4
85.06559	14.8
91.05480	43.2
93.07050	45.8
95.04951	20.1
95.08601	48.7
97.06549	11.7
100.45808	11.1
105.07024	45.3
107.08593	43.5
109.06508	25.7
109.10156	17.2
111.04472	22.5
111.08122	27.3
115.05437	11.3
117.07076	13.6
119.08596	44.4
121.06506	16.1
121.10143	19.7
123.08060	30.8
129.07004	19.2
131.08600	40.6
133.10129	50.6
135.08061	23.2
135.11737	18.8
139.07516	15.6
142.07875	16.3
143.08583	43.0
145.10133	47.5
147.08131	18.4
147.11716	24.9
149.09615	23.3
154.07472	10.5
155.08553	22.2
156.09296	17.1
157.10109	58.1
159.08070	23.4
159.11668	18.1
161.06042	14.7
161.09618	33.3
165.07080	11.1
167.08568	17.7
169.10103	21.0
171.08000	12.9
171.11699	30.6
172.28328	10.3
173.09526	23.2
175.11163	23.0
176.12793	10.7
179.08479	12.5
181.10117	14.7
183.11676	35.0
185.09547	13.4
185.13280	16.5
187.11227	21.9
189.12607	11.7
193.10168	12.6
195.11720	42.0
196.12512	16.9
197.09636	16.6
197.13297	14.8
199.11200	18.9
199.14890	13.7
207.11687	21.0
209.09543	14.2
209.13283	26.0
211.11089	13.9
211.14839	19.8
221.13333	22.2
223.15019	15.3
225.12727	26.4
229.19398	12.4
233.13115	15.9
239.14320	42.2
249.16495	14.5
325.17993	100.0
343.19028	11.6
347.19943	13.1
377.24783	13.6
405.29919	14.1
417.27325	13.0
419.25726	31.8
439.22482	13.0
443.25681	26.9
457.23486	19.2
461.26868	83.7
475.24487	18.4
479.27722	39.9
493.25830	30.5
511.26727	13.0
547.23273	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.1
55.05519	28.6
56.98410	4.6
57.03421	5.5
57.07085	7.5
67.05505	47.6
69.07067	30.2
71.08646	8.1
72.39468	5.5
73.06537	8.3
79.05483	31.0
81.03400	9.8
81.07049	67.4
83.04984	11.4
83.08616	17.4
91.05503	27.3
93.07034	51.7
95.04976	10.4
95.08601	81.5
97.06525	8.0
97.10172	9.0
99.77120	5.0
105.07033	31.1
107.08611	44.3
109.06528	5.6
109.10194	25.6
111.08069	11.2
113.05984	5.7
115.07568	13.4
116.76605	5.6
117.07031	8.6
119.08589	38.3
121.06562	7.3
121.10158	40.5
123.11662	7.0
125.09609	6.2
131.08568	14.5
133.10129	28.2
135.08034	8.0
135.11653	13.3
137.09624	6.1
141.09157	7.5
143.08571	10.4
145.10071	28.2
146.61453	5.3
147.11696	22.9
157.10156	19.2
159.11682	26.6
161.13266	9.3
163.11200	7.3
169.10229	7.9
171.11681	20.5
172.24445	4.9
173.09685	5.7
173.13274	20.7
175.11168	6.9
177.12851	5.2
179.14259	14.3
181.12224	10.2
183.11705	7.1
185.13284	12.1
187.11214	8.8
187.14838	12.2
195.13797	7.0
197.13341	5.3
199.11267	5.7
199.14853	13.1
204.30870	5.0
205.12160	7.0
206.23157	5.7
211.13174	8.3
211.14883	6.9
213.16322	6.3
221.15436	5.5
225.16530	8.8
227.18066	7.8
262.60764	6.2
272.80035	5.1
277.21664	11.4
278.22095	6.8
287.20001	11.6
301.21695	10.7
313.21622	7.2
315.23154	6.5
369.27710	6.5
391.26321	6.5
401.27084	8.4
433.31082	12.3
437.34100	7.5
451.31903	7.6
463.80862	6.4
465.33554	22.5
483.34613	100.0
484.35037	12.8
546.32343	22.6
546.39447	9.1
547.39642	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20653	10.0
55.04075	7.5
55.05513	21.7
57.07074	11.0
67.05499	43.1
69.07066	29.0
70.32416	14.5
79.05497	21.2
81.07063	100.0
83.08616	23.9
85.73834	8.8
91.05484	21.0
93.07043	38.4
95.08596	73.8
97.10170	11.7
105.07039	29.1
107.08588	43.7
109.10147	56.3
119.08597	32.1
121.10147	39.2
121.60390	9.1
123.11701	34.5
131.08533	8.8
135.11690	24.6
147.11700	39.7
149.13275	41.8
157.37440	8.3
161.13237	13.2
162.19061	11.3
163.14801	18.7
203.17943	74.7
221.18987	56.4
253.89381	8.7
433.23956	11.1
445.20422	14.5
446.20688	9.8
446.26563	9.6
461.23331	15.6
462.10483	12.3
547.26904	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	3.7
69.04543	6.2
69.07069	2.9
79.05491	4.9
81.07070	5.7
83.05003	3.1
85.54929	1.9
91.05479	6.0
93.07036	2.4
95.08605	3.0
105.07088	2.1
107.08582	2.9
113.07780	2.1
119.08640	2.6
121.10215	2.2
131.08562	2.4
145.10143	2.0
157.10228	2.4
173.82355	2.0
179.08586	2.4
188.58263	2.0
197.71872	1.8
205.80313	2.0
264.92542	1.9
360.75461	2.4
387.17859	2.5
425.13693	12.3
547.17358	100.0
547.26404	6.8
548.17493	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.6
57.88717	0.6
57.91263	0.6
57.92563	0.7
66.89737	0.6
67.05515	1.6
70.58033	1.5
70.58366	0.7
79.05489	0.9
81.07043	1.3
83.04993	4.5
89.39750	0.6
89.58260	0.8
91.05531	0.6
93.07061	1.4
95.08611	2.2
105.07028	1.4
107.08604	1.2
110.89336	0.7
119.08584	1.7
131.08553	1.0
133.10101	1.0
137.18025	0.7
143.08583	1.3
145.10153	1.0
157.10092	1.5
159.11790	1.0
239.61813	0.7
304.09509	0.7
355.04950	0.8
355.15384	1.8
356.15942	1.3
367.26443	1.2
387.17746	3.7
391.26169	1.1
409.27493	3.7
417.08453	0.9
425.13596	100.0
426.13965	7.9
431.10318	0.8
462.37576	0.8
547.16187	4.4
565.17365	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.3
55.01863	4.5
55.05519	2.1
57.03442	8.2
59.04998	2.8
61.02925	4.6
64.85540	1.5
67.05494	6.4
68.99789	1.7
69.03432	41.0
69.54321	3.7
69.54726	5.8
71.04994	4.1
73.02924	3.1
79.05492	6.1
81.03420	22.7
81.07053	5.7
83.01353	1.5
83.04990	4.4
85.02907	50.9
87.04463	7.8
91.03975	1.4
91.05489	9.3
93.07060	7.7
95.04976	4.2
95.08598	6.0
97.02891	25.7
97.06548	10.3
98.23270	3.2
99.04463	17.3
104.06236	2.4
105.07030	6.7
107.04885	1.7
107.08636	3.2
109.02895	26.0
109.06546	3.3
109.10149	2.9
111.04413	3.1
111.08112	2.5
115.03926	4.8
115.05448	4.7
117.07004	5.8
119.04948	18.6
119.08577	9.0
121.06519	5.7
121.10170	3.2
122.64588	1.9
123.08070	3.6
127.03920	37.0
129.06989	4.2
131.08589	4.4
132.05717	33.5
133.06474	3.4
133.10112	2.8
135.04366	1.9
135.08109	1.9
136.08574	1.6
141.07056	1.7
143.08562	2.0
145.05022	8.1
145.06483	2.2
145.10149	4.1
147.08052	18.6
149.09668	1.8
155.08562	3.8
157.10133	5.7
159.08057	3.2
159.11729	3.2
160.05199	2.0
161.05994	1.9
163.03935	3.7
165.07004	2.7
167.08569	4.0
169.06514	2.4
169.10088	2.5
171.11635	3.0
173.02397	2.7
173.09618	2.4
175.07541	8.6
177.05447	3.8
179.08548	2.5
179.10649	11.8
181.10132	2.3
183.11679	2.6
184.07292	3.1
187.06006	7.4
187.11102	1.8
189.05429	2.1
192.07780	4.3
193.10197	1.6
193.12079	1.7
195.08034	4.7
195.11674	3.7
197.05997	2.7
197.09584	2.6
199.07581	3.5
205.06628	1.9
207.08206	4.2
207.10156	90.5
208.05234	1.9
208.10591	2.7
209.05902	1.8
209.12999	1.6
210.10332	1.7
211.07559	4.6
212.08286	2.1
213.09061	2.0
215.07047	3.0
219.08029	2.4
219.11719	3.3
221.06133	2.5
222.06743	3.8
223.07533	5.2
225.05553	2.7
225.09070	3.9
225.11290	5.0
226.06155	2.8
227.07019	3.3
227.10716	2.1
228.07901	2.7
234.06712	2.0
236.04654	4.5
236.08337	2.5
237.05470	2.6
237.09148	5.4
238.06154	2.5
238.09772	2.3
239.03441	5.3
239.06921	8.9
239.10625	2.0
240.04231	3.5
240.07738	5.9
241.05002	2.1
241.08591	2.7
242.05573	1.9
242.09375	3.9
247.07553	1.9
249.05470	3.0
250.06256	4.8
251.07034	18.4
252.07698	4.7
253.05013	13.1
253.08601	7.7
254.05736	11.5
254.09334	2.5
255.06477	4.7
255.09924	3.9
255.13875	2.0
257.08020	2.1
259.09610	9.0
263.06970	4.1
264.07846	3.0
265.05264	2.5
265.08569	11.8
266.05984	2.8
266.09265	5.3
267.06512	9.8
267.10147	4.5
267.16153	2.3
268.07306	23.7
269.04605	2.4
269.07947	4.2
269.11749	3.1
270.05231	4.3
270.08813	5.2
271.06012	2.8
271.09671	2.9
271.13223	1.7
279.06531	13.3
279.09872	3.1
279.17343	2.1
280.07349	5.5
281.04477	6.7
281.08081	14.9
282.05234	15.8
282.08789	6.3
283.06018	6.5
283.09653	15.2
283.12714	2.9
284.06931	2.7
285.07541	4.4
285.11145	6.0
292.07361	3.8
293.08051	17.4
294.08804	7.6
295.06076	4.6
295.09641	5.8
296.06821	18.7
296.87515	1.6
297.07507	8.0
297.11218	12.6
298.08313	3.3
299.05420	6.4
299.08725	3.1
301.14243	3.2
307.09796	2.1
308.06860	1.8
309.07507	7.0
310.08331	16.8
311.09140	85.2
312.09796	20.9
313.07025	14.9
313.10675	22.3
314.07883	6.7
315.08542	7.1
321.07706	4.0
323.05527	1.9
323.09045	2.7
325.10660	41.9
326.11331	2.4
327.08725	5.0
328.09378	18.8
331.15564	1.9
335.09216	3.1
336.09894	6.3
337.07071	2.7
337.10669	2.7
338.07596	2.7
339.08374	3.7
339.12189	2.5
341.06033	3.3
341.10208	63.5
342.10712	7.3
343.11768	82.6
344.11935	4.2
352.09421	2.8
353.10272	10.6
354.10886	6.6
355.15369	2.6
357.13339	59.8
357.17819	3.5
358.13644	3.8
367.11768	16.2
370.10571	4.0
385.12830	69.9
386.12891	3.9
395.14551	2.5
417.24478	2.5
465.25952	2.0
475.24893	2.2
493.25891	2.9
494.26086	2.9
503.15512	4.1
505.16425	2.3
511.26898	3.4
529.21625	2.3
529.28455	2.1
547.23383	100.0
548.23145	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.3
55.01863	4.5
55.05519	2.1
57.03442	8.2
59.04998	2.8
61.02925	4.6
64.85540	1.5
67.05494	6.4
68.99789	1.7
69.03432	41.0
69.54321	3.7
69.54726	5.8
71.04994	4.1
73.02924	3.1
79.05492	6.1
81.03420	22.7
81.07053	5.7
83.01353	1.5
83.04990	4.4
85.02907	50.9
87.04463	7.8
91.03975	1.4
91.05489	9.3
93.07060	7.7
95.04976	4.2
95.08598	6.0
97.02891	25.7
97.06548	10.3
98.23270	3.2
99.04463	17.3
104.06236	2.4
105.07030	6.7
107.04885	1.7
107.08636	3.2
109.02895	26.0
109.06546	3.3
109.10149	2.9
111.04413	3.1
111.08112	2.5
115.03926	4.8
115.05448	4.7
117.07004	5.8
119.04948	18.6
119.08577	9.0
121.06519	5.7
121.10170	3.2
122.64588	1.9
123.08070	3.6
127.03920	37.0
129.06989	4.2
131.08589	4.4
132.05717	33.5
133.06474	3.4
133.10112	2.8
135.04366	1.9
135.08109	1.9
136.08574	1.6
141.07056	1.7
143.08562	2.0
145.05022	8.1
145.06483	2.2
145.10149	4.1
147.08052	18.6
149.09668	1.8
155.08562	3.8
157.10133	5.7
159.08057	3.2
159.11729	3.2
160.05199	2.0
161.05994	1.9
163.03935	3.7
165.07004	2.7
167.08569	4.0
169.06514	2.4
169.10088	2.5
171.11635	3.0
173.02397	2.7
173.09618	2.4
175.07541	8.6
177.05447	3.8
179.08548	2.5
179.10649	11.8
181.10132	2.3
183.11679	2.6
184.07292	3.1
187.06006	7.4
187.11102	1.8
189.05429	2.1
192.07780	4.3
193.10197	1.6
193.12079	1.7
195.08034	4.7
195.11674	3.7
197.05997	2.7
197.09584	2.6
199.07581	3.5
205.06628	1.9
207.08206	4.2
207.10156	90.5
208.05234	1.9
208.10591	2.7
209.05902	1.8
209.12999	1.6
210.10332	1.7
211.07559	4.6
212.08286	2.1
213.09061	2.0
215.07047	3.0
219.08029	2.4
219.11719	3.3
221.06133	2.5
222.06743	3.8
223.07533	5.2
225.05553	2.7
225.09070	3.9
225.11290	5.0
226.06155	2.8
227.07019	3.3
227.10716	2.1
228.07901	2.7
234.06712	2.0
236.04654	4.5
236.08337	2.5
237.05470	2.6
237.09148	5.4
238.06154	2.5
238.09772	2.3
239.03441	5.3
239.06921	8.9
239.10625	2.0
240.04231	3.5
240.07738	5.9
241.05002	2.1
241.08591	2.7
242.05573	1.9
242.09375	3.9
247.07553	1.9
249.05470	3.0
250.06256	4.8
251.07034	18.4
252.07698	4.7
253.05013	13.1
253.08601	7.7
254.05736	11.5
254.09334	2.5
255.06477	4.7
255.09924	3.9
255.13875	2.0
257.08020	2.1
259.09610	9.0
263.06970	4.1
264.07846	3.0
265.05264	2.5
265.08569	11.8
266.05984	2.8
266.09265	5.3
267.06512	9.8
267.10147	4.5
267.16153	2.3
268.07306	23.7
269.04605	2.4
269.07947	4.2
269.11749	3.1
270.05231	4.3
270.08813	5.2
271.06012	2.8
271.09671	2.9
271.13223	1.7
279.06531	13.3
279.09872	3.1
279.17343	2.1
280.07349	5.5
281.04477	6.7
281.08081	14.9
282.05234	15.8
282.08789	6.3
283.06018	6.5
283.09653	15.2
283.12714	2.9
284.06931	2.7
285.07541	4.4
285.11145	6.0
292.07361	3.8
293.08051	17.4
294.08804	7.6
295.06076	4.6
295.09641	5.8
296.06821	18.7
296.87515	1.6
297.07507	8.0
297.11218	12.6
298.08313	3.3
299.05420	6.4
299.08725	3.1
301.14243	3.2
307.09796	2.1
308.06860	1.8
309.07507	7.0
310.08331	16.8
311.09140	85.2
312.09796	20.9
313.07025	14.9
313.10675	22.3
314.07883	6.7
315.08542	7.1
321.07706	4.0
323.05527	1.9
323.09045	2.7
325.10660	41.9
326.11331	2.4
327.08725	5.0
328.09378	18.8
331.15564	1.9
335.09216	3.1
336.09894	6.3
337.07071	2.7
337.10669	2.7
338.07596	2.7
339.08374	3.7
339.12189	2.5
341.06033	3.3
341.10208	63.5
342.10712	7.3
343.11768	82.6
344.11935	4.2
352.09421	2.8
353.10272	10.6
354.10886	6.6
355.15369	2.6
357.13339	59.8
357.17819	3.5
358.13644	3.8
367.11768	16.2
370.10571	4.0
385.12830	69.9
386.12891	3.9
395.14551	2.5
417.24478	2.5
465.25952	2.0
475.24893	2.2
493.25891	2.9
494.26086	2.9
503.15512	4.1
505.16425	2.3
511.26898	3.4
529.21625	2.3
529.28455	2.1
547.23383	100.0
548.23145	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
65.37696	0.5
69.03413	0.9
71.30047	0.7
79.68665	0.5
80.74821	0.6
85.02866	2.1
97.02872	0.6
99.08080	1.0
105.07020	0.8
115.05445	1.7
117.05728	1.2
121.10120	1.2
121.38246	0.5
127.03864	0.7
132.08064	2.8
133.10152	0.6
137.09602	0.6
141.67755	0.5
146.05975	2.5
151.11113	0.7
155.01869	0.6
160.07584	42.7
161.07892	0.8
185.04218	2.4
191.14211	1.1
197.68996	0.6
209.15393	2.6
213.12679	1.3
222.18633	0.6
223.09412	100.0
224.09738	2.5
226.18051	0.6
238.18005	2.6
243.26680	0.6
367.24197	0.7
385.14685	98.7
386.15106	4.8
400.23196	0.7
529.28766	1.1
542.17047	0.6
547.19885	56.2
547.29517	11.7
548.20630	3.7
548.28326	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.215
Annotation	Phe Glu His Asp
Peak:m/z	Relative Intensity
58.43430	0.4
68.74064	0.3
71.30345	0.4
71.30740	0.5
81.07068	0.4
83.01103	1.0
85.02918	0.4
86.25135	0.4
88.73191	0.3
95.01096	1.9
103.83179	0.3
105.66874	0.4
113.02122	3.6
119.08607	0.4
121.72986	0.4
123.04421	1.1
125.05810	0.4
131.04951	0.7
141.05237	1.4
147.04498	0.7
151.03889	5.7
159.04204	1.1
160.07581	0.6
169.04755	3.9
185.04237	1.4
185.05653	0.5
187.05791	1.0
189.05339	0.5
204.07562	4.3
219.10164	6.0
227.67198	0.4
240.45670	0.4
349.12631	1.0
361.02390	1.5
371.14899	0.4
397.72986	0.4
401.15747	1.5
401.93311	0.4
402.16135	0.4
547.21466	100.0
548.21753	10.0
548.29736	0.6
549.26440	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2539
Annotation	[2'E,7'R(S)]-2',3'-didehydro-7'-deoxo-2'-deoxy-4',16-dihydroxy-7'-(1-hydroxyethyl)verrucarin A
Peak:m/z	Relative Intensity
53.03942	1.6
55.01862	2.2
55.05498	2.4
57.03444	0.8
59.05002	1.2
62.37992	0.6
65.03941	1.2
67.05499	5.0
68.99796	0.9
69.03428	42.6
69.07057	2.7
71.30418	0.6
73.02925	0.7
79.05489	7.0
81.03398	0.8
81.07058	7.6
83.04980	3.0
85.02918	1.3
87.04463	3.2
91.05484	9.8
93.07037	8.5
95.04971	9.7
95.08602	5.0
96.05280	0.7
97.02910	2.2
97.06541	3.4
98.97633	0.6
99.04451	1.6
102.90495	0.6
103.05457	1.4
105.07024	13.4
107.04939	4.3
107.08585	8.1
109.06511	18.7
109.10136	1.4
111.04425	1.4
111.08086	4.7
113.06026	1.1
115.03949	2.9
115.05432	2.2
116.98648	1.1
117.07012	6.4
119.04967	2.8
119.08563	9.0
121.06503	15.9
121.10139	2.8
122.03596	0.9
123.04451	1.5
123.08074	10.6
125.06022	1.4
125.09605	0.7
128.06212	4.3
129.06999	10.4
129.07903	1.1
130.07816	0.8
131.04926	1.6
131.08557	8.9
133.06487	9.5
133.10115	5.4
135.04405	1.0
135.08057	14.7
135.11656	0.8
137.05962	7.8
137.09598	2.4
139.03955	1.4
139.07535	25.5
141.06987	6.5
142.07796	4.1
143.08556	12.2
144.09308	1.1
145.06480	5.1
145.10141	10.5
146.07224	0.7
147.04390	1.2
147.08057	12.8
147.11713	2.8
149.06015	4.4
149.09615	34.8
151.07536	9.2
151.11176	0.8
152.06244	1.0
153.06972	2.8
153.09109	0.9
154.07777	2.5
155.07068	3.8
155.08568	13.5
156.09312	2.8
157.06496	2.7
157.10118	8.0
158.07230	1.2
159.08046	9.8
159.11656	5.4
161.06010	2.2
161.09602	9.5
161.13307	1.1
162.10353	1.4
163.07567	3.3
163.11197	4.2
165.07033	2.8
165.09114	5.4
165.76053	0.7
167.07056	1.9
167.08580	4.3
168.09343	1.8
169.06401	1.0
169.08688	1.3
169.10106	16.0
169.44629	0.8
170.10820	1.8
171.08083	6.0
171.11693	4.8
172.08797	2.9
173.06004	1.5
173.09612	16.6
175.07542	4.4
175.11182	7.2
177.09123	4.4
177.12791	1.0
178.07790	1.2
179.07056	1.9
179.08609	3.4
179.10617	1.8
180.09361	2.5
181.06679	0.7
181.08591	5.3
181.10136	5.4
182.07265	0.8
183.08092	3.6
183.11649	4.4
185.09596	6.3
185.13255	3.1
186.10367	1.2
187.07539	2.2
187.11182	12.3
188.11957	2.5
189.09079	6.7
189.12758	4.8
191.07021	1.3
191.08725	0.8
191.10661	2.2
192.09367	1.7
193.08615	3.5
193.10161	6.5
194.10901	1.7
195.06465	2.1
195.08211	2.7
195.10158	47.5
195.11725	5.4
196.08788	1.4
196.10492	1.1
196.12195	0.8
197.09602	6.9
197.13274	2.4
198.10342	1.3
199.07558	2.7
199.11160	4.2
200.08322	1.4
201.09085	4.7
201.12776	3.1
203.08734	1.3
203.10612	7.8
203.14386	1.2
205.08501	1.4
205.10199	2.0
205.12177	1.7
206.10791	1.5
207.08101	2.2
207.10149	6.9
207.11772	4.0
208.12546	1.0
209.09801	3.7
209.11568	1.5
209.13293	4.1
210.10347	1.8
211.07735	0.9
211.09558	1.9
211.11282	6.2
211.14799	1.5
212.11826	1.4
213.07327	3.5
213.09381	3.9
213.12729	7.8
214.09866	1.5
214.13492	0.9
215.08754	1.3
215.10674	8.9
215.14201	0.7
216.11163	1.0
217.08568	1.9
217.10388	1.1
217.12305	1.8
219.09975	1.4
219.11726	2.3
221.09651	2.8
221.11586	14.4
222.10323	1.5
223.07645	1.1
223.11192	4.6
223.14833	1.6
224.11769	1.1
225.09164	3.2
225.12761	3.0
227.10693	2.8
227.14359	2.7
229.10320	1.0
229.12189	3.7
229.15865	1.2
230.10774	1.0
231.10081	2.0
231.13803	1.5
233.11401	5.8
233.13634	1.6
234.10437	1.0
235.11160	2.5
235.14775	1.6
236.11801	1.3
237.09123	1.7
237.12791	3.9
239.10684	4.6
239.14337	2.6
239.17918	1.0
241.08475	1.2
241.12198	4.4
243.09999	4.2
245.11539	1.2
245.13579	1.0
245.15518	1.0
247.11188	1.7
247.13187	1.1
248.11986	1.3
249.09087	1.6
249.12924	3.2
249.16486	1.0
250.13445	0.8
251.10638	1.9
251.14359	3.1
253.08688	0.7
253.12119	1.7
253.16000	0.8
255.13875	3.3
257.11520	3.7
257.15475	1.2
259.11063	1.2
259.13281	9.6
260.11758	1.0
261.13068	0.8
261.16473	1.1
262.13577	0.9
263.10593	0.9
263.14288	2.4
265.12408	3.6
265.15945	2.0
266.13065	1.3
266.16577	0.9
267.10086	1.1
267.13901	2.7
267.17422	1.5
269.11792	1.5
271.13199	0.9
273.14890	1.7
275.14404	1.5
277.12241	2.2
277.15826	1.9
279.13815	2.7
281.11768	2.0
281.15436	1.7
283.13403	3.8
283.17154	1.2
285.11298	2.9
289.15970	1.5
291.13705	2.3
291.17044	0.8
293.12137	1.4
293.15405	2.1
293.18912	0.9
295.13342	2.0
297.15091	2.1
299.13043	1.1
299.16681	1.6
301.14682	3.0
303.12158	9.8
303.17212	0.9
305.15292	1.4
307.13312	1.6
307.16696	1.4
309.14948	1.6
309.18329	1.0
311.16580	0.9
313.14740	0.9
317.15195	0.9
319.16681	1.0
321.14325	1.7
321.18469	1.6
323.20001	1.6
325.14398	2.7
327.15860	1.4
333.18262	1.2
335.16397	2.4
337.14377	1.8
337.18066	2.1
338.18469	1.1
343.15521	2.7
347.16443	1.1
349.17987	2.3
351.19687	1.3
355.15414	1.9
359.16144	1.7
361.16785	3.2
361.21317	0.7
363.19589	2.8
367.19083	0.8
373.18329	1.1
375.19562	2.5
377.17435	2.8
379.15256	1.7
379.19312	1.0
381.20636	4.1
387.19717	1.7
389.21436	1.1
391.18790	4.3
393.21014	1.4
395.18622	2.5
397.20139	3.9
399.21567	1.0
405.20682	3.3
407.17819	1.2
407.22470	1.4
409.20029	3.5
415.18881	2.4
419.18222	4.2
421.23743	1.8
423.21411	5.5
424.22000	1.2
425.19272	3.8
427.21243	0.8
431.22076	1.6
433.20139	9.4
435.18039	1.7
437.19678	2.9
439.24832	2.1
441.22806	4.2
443.20642	6.1
447.21817	3.6
449.23334	8.8
451.21088	16.1
452.21576	1.3
453.18799	2.1
455.20374	1.5
465.22757	6.4
467.24304	42.7
468.24799	4.0
469.22226	11.2
470.22379	1.2
471.23700	5.4
473.21640	9.7
475.21097	7.3
483.23819	13.1
485.25375	4.4
487.23492	9.3
493.22177	60.4
494.22473	6.1
501.24866	6.7
503.26273	0.9
511.23267	78.1
512.23560	5.2
519.25818	3.8
529.24298	100.0
530.24786	9.0
547.18134	1.7
547.25854	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.29
Annotation	CHEBI:70545
Peak:m/z	Relative Intensity
50.17167	7.0
55.05530	14.7
57.24735	6.1
67.05492	35.9
69.06936	48.5
69.07349	17.8
73.11030	5.7
79.05495	13.6
81.07056	23.6
83.04982	14.0
91.05486	16.7
93.07046	25.5
94.70421	5.9
95.04980	10.1
95.08631	30.3
105.07037	18.3
107.08602	22.6
109.10212	11.1
111.04459	7.0
117.07034	6.8
119.08582	18.3
121.06470	8.8
121.10145	9.8
123.08088	19.0
128.06218	7.4
129.07018	8.0
131.08591	13.7
133.06534	7.0
133.10129	15.0
142.07817	6.1
143.08582	23.8
145.10161	22.1
147.08081	10.0
147.11694	15.6
151.11205	8.8
155.08554	18.0
157.10123	20.0
159.11716	20.4
161.09625	11.1
161.13203	7.9
167.08513	8.3
169.10129	19.8
171.08064	9.2
171.11786	12.2
175.11215	6.4
180.09381	7.6
181.10078	8.5
183.11761	15.6
185.09534	7.2
185.13278	9.0
192.09393	8.2
194.10965	8.1
195.11673	18.4
197.13316	11.0
207.11691	17.0
208.12416	9.4
209.13266	18.4
211.14919	7.3
221.13220	11.6
223.11157	7.8
223.14815	15.6
225.12747	7.0
234.13928	7.9
235.14867	8.8
237.12822	9.1
249.12988	8.1
249.16440	10.3
251.18030	12.7
255.13870	7.4
261.12753	7.8
274.35794	6.3
277.15707	10.1
279.17444	7.3
284.56851	7.0
295.17010	22.1
321.18472	9.0
339.19388	7.3
360.46484	6.6
389.24661	15.5
391.22244	11.5
399.23157	9.0
407.25699	13.2
409.23447	14.8
417.24124	40.4
435.25262	100.0
453.26288	55.2
454.26453	8.8
462.73441	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.7
53.03944	5.6
55.01873	3.9
55.05242	1.5
55.05512	30.9
57.03433	6.9
57.07088	5.4
59.05007	1.8
61.02944	0.7
65.03938	5.3
67.05505	100.0
68.05843	1.4
69.03421	3.5
69.07068	25.6
71.04994	46.0
71.08642	1.4
71.30498	0.9
77.03940	1.0
79.05494	60.8
80.05824	0.8
81.03416	15.6
81.07057	62.4
82.07375	1.7
83.04991	10.7
83.08626	13.9
85.06545	5.6
91.05483	49.1
92.05801	0.8
93.07043	60.6
94.07376	1.7
95.04977	17.3
95.05560	1.3
95.08606	48.0
95.26841	0.7
96.08910	1.0
97.06525	8.6
97.10179	9.7
97.44176	0.6
99.08094	1.9
100.42670	0.8
100.84077	0.7
103.05482	1.2
103.69325	0.7
105.04536	2.3
105.07030	27.2
107.04954	4.5
107.08599	33.1
108.08965	0.9
109.06516	4.8
109.10156	54.9
110.10478	1.3
111.04543	0.9
111.08082	5.7
111.11735	1.4
113.09640	0.7
115.05457	1.5
116.06208	0.8
117.07017	11.4
119.08578	30.5
121.06528	4.8
121.10143	25.2
123.08092	2.8
123.11708	5.5
125.09651	5.6
127.11226	0.9
128.06255	1.3
129.07022	4.9
130.07826	1.0
131.08574	14.9
131.09500	1.2
133.06552	1.3
133.10126	13.5
134.10471	0.9
135.08087	3.7
135.11690	24.0
137.05986	5.7
137.09615	21.5
137.10692	1.0
137.13190	1.5
139.11241	0.9
141.07018	1.0
142.07791	1.7
143.08594	3.6
143.10780	1.0
145.10120	20.4
146.10480	0.9
147.08118	0.9
147.11684	10.8
149.09671	2.0
149.13268	5.1
151.07439	0.8
151.11224	1.8
151.14914	0.8
153.05475	0.8
153.09055	0.9
153.12724	0.9
155.08546	1.5
155.10658	4.5
157.10152	4.1
159.11694	11.7
161.09702	1.4
161.13246	4.7
163.11177	6.6
163.14919	2.6
165.12787	1.5
169.10123	1.6
169.12245	6.8
169.23186	0.9
171.11766	2.9
173.09714	1.1
173.11774	3.1
173.13332	4.0
175.11226	2.5
175.14890	3.7
177.12715	1.3
179.14339	1.2
181.10257	1.0
181.12308	5.5
183.11731	0.9
185.13272	1.6
187.13385	1.2
187.14763	3.9
189.11211	3.9
189.16444	1.1
193.12233	7.3
195.11674	1.3
199.14825	1.3
201.16393	4.5
202.17252	2.8
203.17947	2.0
203.45847	0.7
205.12244	1.6
207.11717	0.7
207.13902	1.1
209.13231	0.8
211.13281	1.4
213.16479	1.2
219.17513	0.7
223.13246	0.9
227.12764	4.4
231.17503	0.8
241.18022	1.2
243.15927	1.0
243.21042	1.0
245.22667	2.0
249.14839	1.2
255.15926	1.2
259.20721	1.1
261.22131	4.2
263.23724	3.4
267.15906	13.2
269.17578	2.2
271.15472	2.3
275.20193	1.1
289.21796	1.5
293.21948	0.8
301.25427	1.2
303.23550	1.5
303.26974	5.5
305.24701	0.9
317.24991	1.2
337.27347	10.3
338.27875	0.9
361.27582	2.6
363.25482	2.0
427.35718	1.0
437.34308	2.4
455.35184	7.7
473.36206	5.0
491.37842	0.9
503.37286	13.9
515.37433	5.2
529.38873	19.1
529.46515	1.3
530.39355	1.7
547.40045	56.3
548.40344	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14514	0.3
54.03466	1.0
55.01886	0.5
55.04250	0.8
55.62451	0.4
58.06605	0.5
68.99789	1.3
69.03433	1.3
69.20904	2.6
70.06595	100.0
71.01365	0.4
71.06925	1.1
73.02924	0.6
79.05510	0.8
81.03408	0.6
81.07070	0.6
85.02909	2.7
91.05459	0.9
93.07042	1.1
93.53349	0.4
96.43710	0.3
97.02907	1.1
103.05476	1.3
107.04963	2.1
114.67193	0.4
119.04956	1.8
121.06526	3.0
123.04433	14.0
123.05301	0.8
131.04932	1.2
133.04999	0.6
135.04417	2.8
144.08093	0.6
145.04941	0.6
147.04407	9.0
149.05981	7.3
149.07074	0.6
150.06427	0.4
159.04486	0.9
161.05989	0.6
165.05466	6.5
173.06012	0.8
175.07611	1.3
176.57777	0.3
177.05473	88.5
178.05792	2.5
180.38933	0.4
189.05519	0.6
206.15373	0.4
207.06563	1.4
216.10332	0.4
234.11250	6.9
236.16664	0.4
256.84671	0.4
285.71204	0.4
329.10190	16.6
330.10590	0.7
331.72247	0.4
386.15958	4.9
387.10583	0.9
396.16602	1.9
399.14343	0.4
454.26303	0.4
509.23785	0.4
548.21265	40.3
549.14789	6.8
549.22028	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2124
Annotation	Colchicoside
Peak:m/z	Relative Intensity
51.85935	0.4
54.03460	0.8
55.01884	0.6
55.04257	0.7
56.31300	0.4
64.41254	0.5
64.58864	0.4
68.99787	2.5
69.03439	0.6
70.06591	100.0
70.57359	1.4
71.06927	1.4
79.05518	0.6
81.03416	0.7
81.07066	0.7
85.02920	1.3
85.79826	0.4
91.05471	1.2
93.07040	0.9
95.47113	0.5
97.02872	0.5
103.05470	1.0
105.07007	0.6
107.04945	1.3
119.04950	2.4
121.06500	3.1
123.04428	15.1
131.04935	1.0
133.53249	0.5
135.04422	2.8
147.04407	9.3
147.05492	0.9
147.97264	0.5
149.05977	8.3
159.04416	1.5
161.06029	1.1
165.05478	5.1
175.07585	1.4
177.05461	98.0
178.05821	2.9
188.07050	0.5
207.06535	2.1
216.10146	0.6
228.76396	0.4
234.11237	6.5
300.57077	0.5
311.09259	0.7
329.10162	19.7
330.10443	1.3
386.15952	6.1
396.16461	2.8
509.24014	0.6
548.21234	47.9
549.21649	5.2
559.72534	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97757	0.9
67.05500	3.1
69.04845	3.3
69.05259	7.2
81.07075	1.1
95.08608	2.0
119.08595	1.6
119.97114	1.1
179.08655	1.3
188.33530	1.2
189.07062	1.2
207.08057	2.5
218.07358	2.4
219.08087	2.8
221.09741	1.1
232.08775	2.0
233.09575	5.4
234.10402	2.1
235.07495	8.7
237.12874	1.7
247.07582	5.9
248.08310	2.6
249.05374	1.7
249.09076	5.6
250.09868	7.2
261.09091	6.7
262.09866	4.7
263.07080	7.5
263.10608	2.2
264.07935	1.6
265.08585	1.5
265.12183	7.5
275.06979	2.2
276.07883	3.6
277.08548	7.7
278.09311	11.0
279.06744	1.4
279.09775	1.6
284.60760	1.3
289.08511	2.4
290.09320	2.1
291.06552	3.1
291.10178	5.1
292.10873	5.5
293.08066	4.7
293.11731	12.0
294.12073	1.4
304.07230	1.6
305.08093	8.3
306.08826	4.4
307.09738	1.8
308.10468	5.4
319.09549	6.6
320.10367	16.4
321.07550	1.6
321.11066	10.4
322.11618	1.4
323.12741	6.4
336.09796	3.7
350.11557	8.5
351.12253	100.0
352.12540	7.4
381.13312	84.7
382.13675	6.3
445.30753	5.5
461.16199	1.0
489.29700	8.1
549.31897	28.6
554.64905	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.4
67.05518	3.4
69.03430	8.5
69.07069	2.0
70.84798	1.2
73.02903	2.3
79.05489	9.8
81.07051	41.6
82.07379	1.9
83.04985	3.4
85.02901	6.5
91.05489	9.2
93.07040	9.7
95.04971	9.0
95.08605	14.7
97.02904	10.7
97.06539	3.4
99.04442	1.4
103.05462	1.2
105.07048	11.3
107.04968	3.0
107.08574	7.1
109.02903	2.0
109.06511	23.1
109.10155	2.1
111.08067	2.8
111.46616	1.1
115.03912	1.9
115.05477	1.8
117.07023	4.7
119.08599	7.3
121.02873	1.6
121.06487	9.0
121.10136	2.6
123.04434	2.0
123.08070	7.2
125.06016	2.2
125.09685	2.0
128.06186	2.6
129.06996	5.2
130.07692	1.3
131.04948	1.1
131.08553	8.3
133.04987	2.5
133.06483	4.0
133.10136	5.1
135.04385	1.5
135.08040	7.2
137.05971	58.0
137.09644	4.3
138.06311	3.5
139.03903	1.7
139.07556	2.8
141.06978	3.2
143.08534	6.0
145.02838	2.1
145.04916	1.9
145.06496	7.0
145.10091	10.4
147.04379	2.0
147.08057	5.3
147.11728	1.4
149.06044	2.3
151.07541	3.7
153.07030	2.4
155.08575	5.4
157.06473	3.6
157.10110	4.7
159.04422	2.3
159.08073	5.1
159.11694	5.9
161.05977	3.7
161.09660	3.6
163.07491	8.0
165.05548	2.2
165.06978	1.9
166.07767	1.7
167.07152	1.8
167.08592	4.0
169.06448	2.4
169.10141	4.0
171.08047	6.5
171.11717	1.9
173.09642	5.4
173.13406	1.9
175.07576	5.9
177.05547	2.9
178.07776	2.2
179.07019	1.7
179.08571	3.7
181.06415	1.9
181.07088	1.5
181.08614	13.9
181.10129	3.3
182.07251	1.4
183.08072	2.7
183.11670	2.1
185.05960	2.3
185.09616	6.2
187.07552	5.0
187.11218	4.2
189.05432	2.0
189.09097	2.2
192.09421	1.9
193.08636	2.0
193.10193	3.7
195.08046	5.0
195.11771	2.8
196.08807	1.7
197.06013	1.2
197.09560	6.6
197.13263	1.5
199.07512	5.7
199.11145	1.7
201.09137	3.7
201.16386	10.8
203.06998	3.4
205.10294	1.7
207.08025	1.3
207.11703	2.3
208.08798	1.4
209.09619	7.4
211.07509	3.0
211.11182	3.7
213.05602	1.3
213.09055	6.7
214.09761	1.9
215.07027	3.7
215.10696	5.4
217.08490	2.5
217.10301	1.6
219.08134	2.4
219.17480	4.5
221.09625	5.0
223.11110	5.8
225.09143	4.0
227.10751	3.0
230.10944	2.4
231.08139	1.8
231.11768	1.8
233.09642	4.0
233.13428	1.9
234.10475	1.7
235.07570	3.1
235.11131	3.3
235.14809	2.0
237.09128	4.2
237.12738	4.0
239.10812	2.2
241.08470	1.5
245.08041	3.6
245.13361	3.3
247.11221	2.0
248.12018	2.0
249.09113	3.4
249.12756	3.7
251.10768	5.0
251.14241	2.5
252.11440	1.9
253.08440	1.5
253.12251	2.6
253.15852	1.9
259.11206	1.8
261.09146	3.0
261.12811	2.8
262.09787	2.0
263.10715	4.2
263.14282	4.4
265.08786	1.8
265.12082	1.9
265.15994	1.4
272.11954	1.4
273.12747	4.8
275.10431	1.8
275.13062	2.0
277.12183	3.3
279.10330	3.1
279.13803	5.5
280.10818	6.1
281.11765	4.0
286.09912	1.9
289.12271	2.9
291.13870	5.6
293.11716	2.0
293.15195	2.9
295.13388	2.3
297.11438	2.9
301.12247	4.3
305.11853	1.3
307.09979	2.0
307.13272	10.2
307.16574	1.7
308.13763	1.4
309.14871	5.1
319.13199	4.9
321.15015	2.0
323.12851	3.3
325.10764	1.6
333.14700	1.8
335.16425	1.9
337.14407	10.6
340.12921	2.4
345.13733	1.6
349.14297	2.2
355.15497	7.1
356.50250	1.4
361.14175	1.8
361.18259	1.6
367.15344	2.2
371.16336	3.8
373.18497	1.6
379.15244	2.9
385.16446	1.8
387.17984	6.0
389.17416	6.7
391.19250	1.5
397.16409	6.5
399.15903	4.3
405.20462	1.5
407.18439	13.6
417.16949	18.3
423.21823	1.7
425.19781	3.6
433.20145	4.8
435.18002	65.9
436.18286	5.1
437.19662	2.8
442.22617	1.7
449.19498	3.0
451.21289	10.1
452.03311	1.4
453.19061	100.0
454.19077	7.7
458.26147	5.8
459.18015	4.7
467.20435	2.8
471.19931	3.6
477.12823	1.6
477.19135	28.8
478.19449	1.9
488.23120	1.7
495.20087	57.3
496.20499	4.8
513.21155	64.2
514.21088	6.8
548.25885	6.1
549.24615	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92591	1.0
53.03964	1.3
65.03960	1.2
67.05508	4.4
69.03419	6.4
69.10323	1.1
71.05006	1.8
79.05492	7.7
81.07060	47.1
83.04996	2.2
85.13936	1.2
86.15474	1.1
90.96541	1.1
91.05489	7.2
93.07065	5.2
95.04987	6.9
95.08616	17.2
97.02905	5.3
97.06544	3.5
99.04475	2.2
103.05479	1.3
105.07030	8.6
107.04980	3.7
107.08608	3.9
109.06525	27.4
109.10184	1.2
111.04469	2.2
115.05450	1.9
117.07012	4.0
117.35614	1.2
119.04939	1.4
119.08601	5.3
121.06529	6.3
121.10191	1.9
123.04436	1.8
123.08071	14.3
128.06215	2.9
129.07054	6.8
131.04945	2.6
131.08566	6.3
133.06534	2.5
135.08061	2.8
137.05980	61.9
139.07590	1.9
141.06987	3.0
142.68898	1.1
143.08618	5.9
145.06490	5.5
145.10135	2.2
147.08029	7.8
149.05994	2.5
149.09586	1.6
151.07584	4.7
155.08572	5.3
157.06494	4.0
157.08675	1.0
157.10127	5.1
158.07303	1.9
159.08080	7.1
159.11734	2.3
161.05971	1.9
161.09618	3.8
163.07623	2.2
165.06984	1.8
165.09164	1.7
165.81343	1.2
167.07120	2.0
167.08597	3.4
169.06526	3.4
169.10175	2.9
170.07204	1.3
171.08063	7.7
171.11732	1.9
173.06062	3.1
173.09647	6.1
174.10013	1.5
175.07501	6.0
175.11159	1.2
177.09058	1.9
178.07829	2.2
179.08591	4.6
180.09314	1.7
181.08635	1.8
181.10139	3.9
183.08081	5.3
183.11700	1.5
184.08937	1.2
185.06056	2.2
185.09642	4.0
186.06604	1.1
187.07588	6.5
187.11134	2.1
189.09123	4.0
191.07068	1.4
191.08635	3.3
192.09468	2.1
193.08548	2.9
193.10161	4.6
195.08133	5.8
195.11807	2.0
196.08734	2.0
197.05923	1.5
197.09613	4.9
199.07509	6.4
199.11166	1.5
201.09042	2.8
201.16437	1.5
203.07025	3.0
203.10579	1.4
204.09320	2.1
205.10190	2.9
206.10962	2.2
207.08087	2.7
207.11694	2.5
208.08855	2.7
209.09689	7.0
211.07555	4.6
211.11215	2.6
213.09081	7.6
213.12721	1.4
215.10657	2.8
216.09297	1.8
217.08592	4.5
217.10358	2.0
218.10989	1.4
219.08105	2.9
220.08824	2.7
221.09695	3.9
221.13216	2.2
223.07501	3.2
223.11163	4.2
224.11957	2.3
225.09109	3.7
225.12700	2.0
227.10773	2.4
229.08475	1.5
230.11125	1.5
231.10013	1.9
232.08910	1.5
233.09608	5.4
233.11670	1.5
234.10416	3.2
235.07556	1.4
235.11180	5.1
235.14746	2.6
236.11900	2.3
237.09155	6.4
237.12805	3.4
238.09842	1.7
239.10747	3.1
239.14249	1.6
245.09657	1.6
245.13306	2.7
247.11151	3.3
248.08395	1.4
248.11894	1.6
249.09160	5.0
249.12808	1.4
250.09872	1.5
250.13322	1.8
251.10646	7.3
251.14342	2.4
252.11441	3.4
253.12299	4.1
255.10139	2.4
258.10541	1.7
259.11151	1.7
260.12115	1.5
261.09137	3.7
261.12766	4.3
262.09885	3.3
262.13446	1.5
263.10696	3.3
263.14389	4.7
264.11627	1.4
265.08487	1.4
265.12326	3.2
267.10239	1.4
267.13757	2.6
269.11703	1.4
271.11160	1.3
273.09293	1.5
273.12689	4.3
275.10468	1.5
277.12244	5.2
278.13303	1.2
279.10190	6.0
279.13766	3.7
280.10886	3.0
281.11789	3.2
281.15381	4.2
286.09860	1.5
287.10681	1.9
287.13791	1.6
289.12195	3.9
291.10791	2.2
291.13593	7.0
292.14508	1.8
293.11743	2.4
293.15591	1.7
294.12573	1.4
295.13309	2.6
297.11160	3.2
301.12268	6.6
302.12964	1.7
305.11972	1.3
305.15436	1.2
307.10028	1.5
307.13220	5.9
309.14877	7.5
310.15594	1.4
311.16519	1.5
315.12329	1.4
319.13275	9.7
322.12100	1.4
323.16388	2.8
325.14389	2.7
335.16489	1.6
337.14380	14.7
351.16132	2.2
353.17352	1.9
355.15378	10.3
367.15530	4.2
371.16220	2.3
379.15442	4.5
385.16565	3.1
387.18134	2.5
389.17340	7.4
393.17047	2.1
397.16385	11.9
399.15845	5.4
407.18289	5.6
415.17557	5.9
417.16971	17.7
425.19653	3.5
431.18665	2.1
433.20047	3.9
435.18033	100.0
436.18411	7.9
441.16797	1.6
448.28876	1.3
449.19623	2.5
451.21228	9.6
452.21094	1.6
453.19058	65.3
454.19385	3.5
459.18228	5.6
469.22214	4.1
471.20193	6.4
473.25305	4.4
477.18967	17.4
487.35800	1.3
495.20123	38.8
496.20523	3.7
513.21259	36.4
514.21906	2.8
551.13745	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44305	2.1
64.82681	2.4
67.05493	7.7
69.03425	7.2
79.05495	10.9
81.07059	47.3
87.19222	2.3
91.05454	11.5
93.07034	3.1
95.04977	8.6
95.08609	19.8
97.02883	9.4
97.06581	2.4
98.23400	7.8
101.45924	2.3
103.05495	2.4
105.07047	10.8
107.04935	3.7
107.08602	6.7
107.73387	2.4
109.06524	32.9
111.04435	3.4
115.05485	2.2
117.07045	3.7
119.08571	7.4
121.06498	7.1
121.10141	3.0
123.08076	17.8
124.73092	2.2
125.09652	2.3
128.06190	3.0
129.07022	6.4
131.04959	2.8
131.08551	6.8
133.06497	6.4
135.08054	3.2
137.05971	62.8
141.07013	3.7
143.08582	7.4
145.06461	8.5
145.10109	3.7
147.08049	9.6
151.07562	8.5
155.08554	7.5
157.06473	6.1
157.10149	5.4
159.08037	11.1
161.05954	4.8
161.09595	5.5
163.07620	2.4
165.06979	3.8
165.09082	2.2
167.08580	4.5
169.06433	3.9
169.10139	5.2
171.08031	10.8
173.05934	3.4
173.09616	5.0
175.07562	9.2
177.09258	3.4
179.08505	3.5
181.06508	3.4
181.10114	4.5
183.08086	5.4
183.11713	2.6
185.05998	3.4
185.09570	3.9
187.07533	9.7
187.11250	3.3
189.09158	5.7
193.10168	4.4
195.08076	8.4
197.09598	7.3
199.07527	9.6
201.09048	4.1
203.06947	3.0
205.10233	3.6
209.09695	8.3
209.13557	2.3
211.07574	5.2
211.11235	2.4
213.09117	6.5
215.10638	8.5
217.08578	8.7
221.09659	5.4
221.13341	3.0
223.07568	4.1
223.11252	5.0
225.09154	4.6
225.12762	3.1
227.10587	4.7
233.09634	6.5
233.13394	2.8
234.10356	3.7
235.07590	2.7
235.11159	6.3
237.09132	8.4
237.12775	2.6
247.11124	3.8
249.09128	5.6
249.12845	6.0
250.09697	3.2
251.10564	8.4
252.11481	5.5
253.12280	3.8
254.12918	2.4
261.08957	4.7
263.10736	3.4
263.14294	5.0
265.12045	3.2
273.09232	2.7
273.12671	4.4
275.12924	2.7
276.11313	2.8
277.12433	3.6
278.12857	2.6
279.10379	5.3
279.13876	7.0
280.10934	4.8
281.11728	3.7
281.15302	4.2
289.12262	5.3
291.13763	8.1
292.14432	2.4
293.11908	2.8
295.13309	5.2
301.12204	6.4
305.11728	2.9
307.13321	5.8
309.14746	7.7
319.13263	7.8
321.11038	2.3
323.16388	4.4
325.14371	4.4
337.14496	12.6
340.12955	3.3
355.15472	12.1
361.14389	3.5
367.15302	6.0
369.16837	3.3
379.15430	4.5
385.16574	4.9
389.17554	5.5
393.16681	2.5
397.16400	11.2
399.15662	5.2
399.78598	2.9
403.19284	2.8
407.18472	8.8
415.17709	7.7
417.16995	20.4
425.19455	3.9
433.20093	3.4
435.18021	100.0
436.18237	7.4
449.19485	3.5
451.20972	9.6
453.19049	75.0
454.19342	6.4
459.18195	4.4
469.22061	2.9
471.19946	8.4
477.19272	13.6
495.20105	41.3
496.20715	4.4
513.21222	41.3
514.21320	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
62.21637	3.3
67.05495	8.6
69.03425	10.3
69.07069	5.3
71.31838	4.8
71.32216	4.0
79.05495	11.7
81.03405	6.8
81.07065	33.7
83.05006	5.2
83.08613	3.9
91.05476	16.5
93.07065	8.2
95.04984	6.5
95.08608	12.8
97.02885	5.9
99.04486	3.9
105.07030	14.7
107.08596	11.8
109.06525	23.1
109.10115	5.2
111.04445	7.1
111.08070	5.2
115.05460	4.6
117.07042	7.3
117.50735	3.3
119.04951	3.9
119.08593	17.7
121.06532	4.4
123.08032	7.1
129.07001	7.2
131.08572	12.4
133.10136	10.6
135.08066	8.3
137.05983	39.1
141.07004	5.5
143.08516	18.3
145.06458	8.1
145.10129	12.6
147.08029	10.9
147.11705	6.0
151.07497	3.9
153.06987	3.6
155.08545	13.0
156.09361	5.8
157.10120	12.5
159.08034	6.7
159.11655	11.5
161.09612	11.4
162.08241	3.2
169.10156	12.3
171.08089	4.8
171.11673	10.4
173.09674	8.0
173.13211	4.0
175.11172	5.7
177.09209	5.4
179.08569	4.6
181.10118	7.0
182.10767	4.5
183.11768	8.3
185.09590	5.6
187.11215	14.6
189.09099	4.1
193.10165	4.7
193.12231	3.5
195.08014	3.6
195.11627	4.5
197.13268	4.3
199.11172	4.6
201.09177	4.4
201.12836	6.0
203.10641	5.2
206.10876	4.6
209.13287	5.8
211.11191	5.3
213.12772	6.9
215.10623	4.8
219.11760	5.0
219.17467	6.8
221.13315	7.8
223.11182	5.4
223.14874	5.0
225.12640	3.4
235.14700	7.1
237.12770	3.8
237.18501	6.6
239.10625	3.9
249.11134	5.3
251.14418	6.7
259.14801	4.4
291.17487	4.5
293.18686	4.3
311.20203	10.5
339.16025	7.2
375.83575	3.7
387.21939	4.1
406.24396	4.2
415.17694	5.1
417.20361	5.1
419.22046	4.1
435.21655	27.9
437.23541	24.3
451.24789	12.3
453.22787	100.0
454.23038	9.1
455.24619	8.6
467.24280	7.6
469.26022	23.1
477.22726	15.1
495.23938	25.7
512.27258	4.1
513.25122	20.4
548.20221	13.2
548.28815	3.6
549.21216	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
61.15385	3.5
65.57092	3.6
69.71184	7.8
69.71567	8.3
95.08578	3.4
145.99556	3.1
255.10268	7.4
259.59839	3.8
269.08237	4.4
270.08783	5.2
282.12296	5.6
283.09641	8.1
284.10385	7.0
285.07382	8.4
285.11176	5.4
295.09589	8.4
296.10645	3.9
298.12015	9.2
300.09955	13.0
301.10626	5.4
310.12024	8.0
311.09094	9.2
311.12579	5.1
312.09766	5.5
313.10699	8.2
313.14221	6.7
314.11475	6.0
315.08755	4.4
315.12326	12.3
321.11313	4.1
325.10645	6.1
325.14371	6.6
326.11554	6.6
326.15054	7.7
327.08630	4.2
327.12201	10.9
328.13156	8.2
329.13846	7.4
336.13318	6.0
341.13818	29.0
342.14523	15.8
343.11816	11.7
345.13260	6.5
350.15457	3.2
353.13907	4.0
355.15527	4.4
356.16147	50.4
357.13208	11.1
357.17004	17.3
358.14041	23.4
359.14798	9.3
367.15201	16.9
372.15656	21.0
373.16168	9.0
382.17722	8.2
387.18021	64.2
388.18250	6.8
389.15860	23.7
399.17966	9.9
400.18771	8.8
413.19800	6.8
416.18555	4.2
431.14899	6.8
431.20602	100.0
432.21130	5.7
478.36349	3.8
548.22217	12.1
549.22491	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.9
66.71729	1.4
67.05507	3.8
69.03416	3.7
69.07065	2.9
69.16647	2.2
69.17068	7.3
71.04993	2.8
79.05483	4.9
81.07050	11.7
82.07412	1.2
83.04976	1.1
85.06560	1.3
91.05466	7.7
93.07044	7.2
95.04974	2.2
95.08631	7.0
95.83914	1.0
97.02923	3.4
97.06548	2.1
98.23466	1.4
99.04488	5.6
105.07021	10.6
107.08585	7.2
109.06513	14.1
109.10151	5.3
111.04398	1.3
111.08072	2.4
115.05465	1.0
117.07011	5.0
118.26757	1.1
119.08592	9.3
121.06512	3.9
121.10143	7.0
123.08142	5.3
123.08936	1.0
125.09611	1.1
127.03926	3.3
128.06236	1.5
129.06992	3.9
130.22139	1.0
131.08606	6.1
133.06505	2.0
133.10120	8.4
135.08061	6.4
135.11710	2.4
137.05980	11.0
137.09601	7.3
139.07556	1.4
141.07037	2.6
142.07733	2.9
143.08543	7.1
144.09373	1.0
145.06458	3.5
145.10133	10.3
147.08055	5.6
147.11702	4.1
149.05969	2.0
149.09601	4.2
153.05499	1.2
153.07039	1.3
154.07654	1.3
155.08540	8.3
157.10138	9.9
159.08073	6.2
159.11700	6.8
161.09608	11.6
161.13280	1.4
165.06969	2.2
165.09099	1.2
167.07146	1.2
167.08545	4.1
169.10101	8.6
171.08051	3.6
171.11681	7.9
173.09595	13.4
173.13240	1.6
174.10391	1.5
175.11212	6.5
177.09190	1.3
178.07715	1.5
179.08577	5.1
180.09396	2.7
181.10197	6.6
182.10771	1.3
183.11661	6.6
185.09641	8.4
185.13232	3.2
187.11188	12.4
189.09052	1.3
191.08600	1.3
192.09322	2.6
193.10100	5.1
194.10919	1.6
195.11659	7.5
196.12277	1.3
197.09615	3.2
197.13264	3.9
198.10397	1.2
199.11197	4.8
201.09242	1.4
201.12804	3.4
203.10687	2.3
204.09320	1.9
205.10170	3.3
206.10962	2.8
207.11707	6.7
208.12405	1.9
209.09538	3.7
209.13297	7.4
210.13982	1.5
211.11200	2.8
211.14775	2.5
213.09091	1.5
213.12776	2.9
215.14319	1.7
219.11731	4.5
219.17442	4.5
221.13359	6.0
222.10504	1.5
222.14021	1.8
223.11143	2.5
223.14789	4.2
225.12738	4.0
225.16469	1.2
227.14250	2.0
231.11678	3.3
232.12527	1.9
233.13228	4.0
234.13770	1.5
235.11205	3.0
235.14725	5.7
237.12733	4.9
237.16309	3.2
237.18561	3.4
239.14421	3.8
239.17986	1.4
241.15881	2.1
243.11798	1.4
245.13202	3.5
246.14024	1.6
247.14853	4.0
249.12750	3.1
249.16505	1.9
251.14362	5.7
251.18130	1.8
253.12321	3.1
253.15887	2.7
259.14783	2.2
260.11990	1.6
260.15427	1.2
261.12656	3.2
261.16458	2.1
263.14319	4.9
263.18030	3.5
264.14911	1.7
265.12057	1.2
265.15912	3.5
265.19504	4.6
271.11069	1.3
275.14639	1.7
275.17935	6.5
276.18777	1.8
277.15958	2.9
277.19336	1.2
279.13937	1.5
279.17377	1.8
281.15381	2.7
281.18906	1.9
283.16992	2.1
287.17990	2.0
289.15799	1.5
291.17526	2.5
293.15390	3.1
293.19003	14.4
294.19666	2.9
295.16922	1.7
295.20404	1.8
303.17245	1.7
305.18939	5.2
307.17026	1.4
307.20456	2.4
309.18515	3.1
311.20044	50.8
312.20364	3.5
323.20078	3.6
325.21664	6.1
333.18469	3.3
339.19580	1.5
341.21323	5.8
351.19562	14.6
352.20142	1.3
369.20599	21.0
370.21112	1.5
386.16827	5.4
387.21646	39.0
388.21741	2.1
391.22641	2.6
401.21121	2.2
403.23004	1.4
409.23599	2.5
419.22275	26.1
420.22678	5.8
421.23410	2.5
431.22165	3.9
433.23898	3.5
437.23267	100.0
438.23560	7.6
439.24762	1.7
449.23181	8.7
451.24774	10.3
453.23380	2.7
455.24219	2.3
459.21497	4.9
467.24298	35.1
468.24612	3.2
469.25934	2.8
473.25482	3.6
477.22699	34.9
478.22800	2.4
485.24835	2.0
488.23434	3.3
495.23956	20.6
496.24176	2.5
513.25287	11.4
548.20746	1.7
548.28430	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
63.36865	2.9
64.41496	3.0
65.13911	2.3
69.03458	3.0
69.07093	3.8
69.26962	19.6
79.05495	3.8
81.07071	9.5
83.04981	3.0
85.06547	2.9
86.09714	4.3
91.05483	3.9
93.07059	4.7
95.04979	4.6
95.08604	3.5
97.02940	3.7
98.22655	5.1
99.23655	3.1
105.07049	6.3
107.08617	6.6
109.06519	22.0
110.43307	3.0
119.08567	4.9
125.00026	5.6
128.03003	2.7
131.08588	6.1
133.10126	3.1
137.06007	13.2
139.07533	3.0
143.08549	4.9
145.10191	3.7
147.08008	3.2
155.08548	11.6
157.10123	8.4
159.08081	3.3
159.11740	2.9
165.05547	7.8
169.10178	4.8
173.09645	17.2
175.07463	2.9
181.04959	11.4
184.07391	7.1
193.10077	3.6
224.25833	2.4
225.12772	3.6
249.11269	5.1
263.14392	3.4
295.16678	2.8
321.18747	4.0
387.18082	4.6
419.22083	3.2
435.25604	5.3
437.23248	100.0
438.23584	6.0
451.25262	3.0
453.26300	2.9
469.25821	9.0
513.24542	9.8
548.29932	3.2
549.23090	6.4
572.29303	3.1
572.88837	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01618	5.0
50.93800	4.7
52.76450	5.4
53.03940	7.1
55.01857	12.7
55.05509	9.5
57.03419	5.9
67.05499	22.1
69.03422	20.7
69.07058	15.2
71.05019	6.2
71.06147	6.3
71.06459	7.0
73.02922	19.9
79.05492	24.4
81.07053	49.1
83.04975	9.0
85.02910	28.5
87.43664	6.0
91.05478	31.8
93.07047	34.0
95.04983	15.8
95.08615	37.5
97.02905	29.1
97.06528	24.4
105.07011	57.6
107.08592	34.8
109.06514	23.1
109.10160	24.9
111.08058	8.9
115.03943	9.2
115.05449	7.9
117.07011	14.9
119.08583	46.3
121.10098	34.2
123.04370	6.7
123.08073	12.2
123.11708	13.0
127.03929	30.3
128.04260	5.3
129.06995	10.8
131.08586	37.4
133.04979	12.9
133.10130	29.4
135.08028	14.9
135.11700	10.3
137.05983	26.6
143.08546	14.2
145.05029	6.5
145.10117	69.4
147.08049	14.7
147.11685	15.6
149.09570	11.8
149.13266	9.5
151.07596	6.0
155.08543	13.9
159.08052	100.0
159.11658	46.7
161.05934	6.8
161.09627	11.3
161.13229	20.9
163.03909	6.8
163.11189	12.5
167.08574	7.1
171.08038	5.1
173.09633	13.3
173.13257	8.8
175.07445	6.0
175.14897	5.3
183.11583	7.3
185.09708	9.3
187.11186	7.1
189.07487	5.0
189.09180	7.0
191.10780	5.3
193.10194	7.1
195.11707	8.8
197.13266	7.8
201.09183	10.5
201.16388	95.1
202.16699	7.2
203.10666	5.3
207.11789	6.6
207.17349	6.4
219.17424	70.0
225.12740	7.7
235.11316	7.3
237.18600	18.0
249.11238	20.6
259.09662	6.6
265.12296	5.4
290.19427	5.7
355.18991	6.1
405.20709	7.2
423.21619	89.8
424.21927	10.0
435.21893	15.4
437.19363	19.5
441.22623	8.8
453.22626	97.3
454.22781	10.7
477.22412	13.4
483.23813	7.7
488.18839	7.9
495.23474	10.8
496.40784	7.1
513.24939	13.4
548.31281	22.7
549.23535	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01618	5.0
50.93800	4.7
52.76450	5.4
53.03940	7.1
55.01857	12.7
55.05509	9.5
57.03419	5.9
67.05499	22.1
69.03422	20.7
69.07058	15.2
71.05019	6.2
71.06147	6.3
71.06459	7.0
73.02922	19.9
79.05492	24.4
81.07053	49.1
83.04975	9.0
85.02910	28.5
87.43664	6.0
91.05478	31.8
93.07047	34.0
95.04983	15.8
95.08615	37.5
97.02905	29.1
97.06528	24.4
105.07011	57.6
107.08592	34.8
109.06514	23.1
109.10160	24.9
111.08058	8.9
115.03943	9.2
115.05449	7.9
117.07011	14.9
119.08583	46.3
121.10098	34.2
123.04370	6.7
123.08073	12.2
123.11708	13.0
127.03929	30.3
128.04260	5.3
129.06995	10.8
131.08586	37.4
133.04979	12.9
133.10130	29.4
135.08028	14.9
135.11700	10.3
137.05983	26.6
143.08546	14.2
145.05029	6.5
145.10117	69.4
147.08049	14.7
147.11685	15.6
149.09570	11.8
149.13266	9.5
151.07596	6.0
155.08543	13.9
159.08052	100.0
159.11658	46.7
161.05934	6.8
161.09627	11.3
161.13229	20.9
163.03909	6.8
163.11189	12.5
167.08574	7.1
171.08038	5.1
173.09633	13.3
173.13257	8.8
175.07445	6.0
175.14897	5.3
183.11583	7.3
185.09708	9.3
187.11186	7.1
189.07487	5.0
189.09180	7.0
191.10780	5.3
193.10194	7.1
195.11707	8.8
197.13266	7.8
201.09183	10.5
201.16388	95.1
202.16699	7.2
203.10666	5.3
207.11789	6.6
207.17349	6.4
219.17424	70.0
225.12740	7.7
235.11316	7.3
237.18600	18.0
249.11238	20.6
259.09662	6.6
265.12296	5.4
290.19427	5.7
355.18991	6.1
405.20709	7.2
423.21619	89.8
424.21927	10.0
435.21893	15.4
437.19363	19.5
441.22623	8.8
453.22626	97.3
454.22781	10.7
477.22412	13.4
483.23813	7.7
488.18839	7.9
495.23474	10.8
496.40784	7.1
513.24939	13.4
548.31281	22.7
549.23535	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01618	5.0
50.93800	4.7
52.76450	5.4
53.03940	7.1
55.01857	12.7
55.05509	9.5
57.03419	5.9
67.05499	22.1
69.03422	20.7
69.07058	15.2
71.05019	6.2
71.06147	6.3
71.06459	7.0
73.02922	19.9
79.05492	24.4
81.07053	49.1
83.04975	9.0
85.02910	28.5
87.43664	6.0
91.05478	31.8
93.07047	34.0
95.04983	15.8
95.08615	37.5
97.02905	29.1
97.06528	24.4
105.07011	57.6
107.08592	34.8
109.06514	23.1
109.10160	24.9
111.08058	8.9
115.03943	9.2
115.05449	7.9
117.07011	14.9
119.08583	46.3
121.10098	34.2
123.04370	6.7
123.08073	12.2
123.11708	13.0
127.03929	30.3
128.04260	5.3
129.06995	10.8
131.08586	37.4
133.04979	12.9
133.10130	29.4
135.08028	14.9
135.11700	10.3
137.05983	26.6
143.08546	14.2
145.05029	6.5
145.10117	69.4
147.08049	14.7
147.11685	15.6
149.09570	11.8
149.13266	9.5
151.07596	6.0
155.08543	13.9
159.08052	100.0
159.11658	46.7
161.05934	6.8
161.09627	11.3
161.13229	20.9
163.03909	6.8
163.11189	12.5
167.08574	7.1
171.08038	5.1
173.09633	13.3
173.13257	8.8
175.07445	6.0
175.14897	5.3
183.11583	7.3
185.09708	9.3
187.11186	7.1
189.07487	5.0
189.09180	7.0
191.10780	5.3
193.10194	7.1
195.11707	8.8
197.13266	7.8
201.09183	10.5
201.16388	95.1
202.16699	7.2
203.10666	5.3
207.11789	6.6
207.17349	6.4
219.17424	70.0
225.12740	7.7
235.11316	7.3
237.18600	18.0
249.11238	20.6
259.09662	6.6
265.12296	5.4
290.19427	5.7
355.18991	6.1
405.20709	7.2
423.21619	89.8
424.21927	10.0
435.21893	15.4
437.19363	19.5
441.22623	8.8
453.22626	97.3
454.22781	10.7
477.22412	13.4
483.23813	7.7
488.18839	7.9
495.23474	10.8
496.40784	7.1
513.24939	13.4
548.31281	22.7
549.23535	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02615	0.9
53.03945	1.6
55.05506	3.3
57.07057	1.4
57.70625	1.2
65.03928	1.1
67.05505	6.0
69.03448	5.5
69.07070	6.3
69.28751	7.2
71.04991	3.6
73.26827	1.1
79.05502	9.1
81.03414	1.4
81.07063	16.0
81.82039	1.1
83.04983	3.5
83.08604	2.1
91.05482	10.4
93.07050	10.0
95.04964	2.5
95.08601	10.1
97.02895	4.6
97.06536	3.3
99.04470	8.6
105.07027	14.1
107.04965	1.5
107.08600	11.6
109.06520	22.5
109.10168	7.7
111.04449	1.9
111.08067	3.1
115.05487	2.0
117.07017	5.7
119.04943	1.1
119.08582	17.5
121.06518	5.4
121.10130	6.3
123.08090	6.8
125.05975	1.5
127.03902	3.0
128.06244	1.7
129.07013	4.2
131.08556	11.8
133.06491	2.7
133.10127	11.1
135.08047	9.9
135.11725	2.8
137.05965	15.4
137.09612	9.0
138.06348	2.3
139.07506	1.5
141.06998	3.9
142.07806	4.2
143.08562	10.5
144.09256	1.0
145.06497	3.9
145.10138	12.5
147.08057	6.7
147.11655	4.9
149.05986	1.7
149.09653	4.6
151.07491	1.3
151.11172	1.2
153.05441	1.1
153.06969	2.4
154.07735	1.9
154.51425	1.0
155.08546	9.8
156.09326	2.4
157.10120	11.8
159.08075	7.9
159.11667	7.2
161.09624	11.7
161.13257	2.5
163.07518	1.7
163.11183	3.0
165.07028	1.7
165.09064	1.0
166.07735	1.2
167.07150	1.5
167.08575	5.2
168.09317	2.0
169.06522	1.6
169.10133	13.4
171.08026	5.0
171.11647	8.6
173.09636	15.6
173.13194	1.4
174.10164	1.7
175.07611	2.1
175.11206	8.4
177.09142	2.6
179.08562	4.6
180.09320	2.8
181.10165	6.3
182.10890	1.7
183.07965	1.5
183.11705	7.2
184.08804	1.4
184.12462	1.1
185.09615	9.4
185.13274	4.6
187.07547	1.4
187.11171	15.6
188.11522	1.8
189.12766	2.7
191.08594	1.2
192.09373	3.1
193.10138	7.9
194.10912	3.2
195.08069	2.1
195.11682	8.7
196.12366	1.4
197.09628	4.1
197.13240	4.5
199.11227	5.3
201.09132	2.1
201.12759	3.4
201.16428	1.8
203.08685	2.1
203.10703	2.2
204.09451	1.5
205.10245	2.5
206.10883	3.1
207.08246	1.5
207.10425	0.9
207.11751	8.8
208.12410	2.0
209.09628	3.2
209.13249	8.5
210.10358	1.1
211.11185	5.1
211.14796	3.3
212.11926	1.4
213.09120	2.2
213.12752	3.6
215.10495	1.5
215.14432	1.2
217.10301	1.2
218.11066	1.5
219.11670	5.4
219.17436	4.1
220.12395	2.6
221.09656	2.5
221.13213	6.8
222.10451	1.2
222.14034	1.4
223.11206	4.3
223.14774	6.1
225.12743	4.8
225.16418	1.4
227.10580	1.1
227.14270	3.0
230.10941	2.4
231.11687	4.2
232.12479	2.6
233.09717	1.2
233.13388	5.0
234.13979	1.5
235.11188	3.4
235.14754	5.0
236.11876	1.3
237.12804	6.5
237.16357	3.3
237.18506	3.0
239.10667	1.6
239.14320	4.1
239.17929	1.2
241.16158	1.4
243.13860	1.2
244.12483	1.3
245.13475	2.1
247.11185	2.6
247.14801	3.8
249.12663	3.1
249.16484	3.2
251.10837	1.3
251.14304	5.8
251.17862	1.3
253.12112	1.5
253.15965	2.6
255.13792	1.9
258.13977	2.6
259.14920	2.6
261.12708	2.3
261.16403	3.0
262.13522	1.2
263.10855	1.1
263.14395	4.4
263.18082	3.1
264.14969	2.3
265.12195	1.9
265.15918	3.6
265.19431	6.0
267.13834	1.5
267.17267	1.7
269.11710	1.1
272.15616	1.2
273.12732	2.0
273.16531	1.3
275.14322	3.4
275.17963	7.7
276.18689	1.1
277.12442	1.2
277.15930	3.9
277.19498	1.9
278.13156	1.2
278.16684	1.4
279.14157	2.3
279.17468	3.6
281.15506	1.9
281.18954	2.8
282.08524	1.0
283.16705	1.2
283.20554	2.1
287.14767	1.2
287.17978	2.7
289.19257	1.4
291.14075	1.4
291.17493	3.6
293.15634	2.5
293.18933	15.3
294.19736	2.9
295.13397	1.7
295.16843	2.1
295.20511	1.9
303.17380	1.9
305.18747	5.9
307.20465	2.7
309.14938	1.2
309.18243	2.4
311.20029	54.4
312.20328	3.3
316.09192	1.3
321.18442	2.0
323.20071	4.6
324.13107	2.3
325.21579	6.4
333.18405	5.6
341.21140	5.6
343.18933	2.5
343.22833	1.9
351.19540	14.7
352.19818	1.5
354.14032	2.2
355.15552	1.7
356.15674	2.4
369.20590	17.9
370.21069	1.7
373.21558	1.5
385.16431	3.0
385.21005	1.1
386.16782	9.7
387.16959	2.5
387.21689	38.3
388.22058	1.7
391.22736	1.8
401.21188	1.8
405.20663	1.5
409.23648	2.6
415.22336	1.5
419.17288	1.8
419.22269	24.7
420.22763	7.3
421.23846	1.3
431.22275	4.9
433.23621	3.0
435.17703	2.3
437.23257	100.0
438.23865	9.2
439.24704	1.3
449.23395	8.3
451.24936	10.2
453.22852	2.0
455.24124	3.0
459.21674	4.6
467.24326	30.9
468.24460	3.0
469.25885	1.2
473.25320	9.1
477.22748	36.3
478.23096	3.0
485.25388	2.5
488.23563	3.2
495.23959	20.4
496.24088	2.0
513.24799	9.8
514.25452	1.4
531.25671	1.5
548.28589	4.6
549.23846	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.9
55.05504	1.8
57.03437	4.1
57.07056	0.9
59.05015	1.0
61.02927	1.5
67.05505	8.7
69.03429	5.5
69.07068	3.2
71.01358	0.7
71.65557	0.7
73.02919	5.7
79.05481	5.6
81.03456	0.9
81.07065	8.6
83.05010	1.0
85.02902	11.3
91.05474	9.1
93.07037	10.4
95.04960	2.1
95.08606	9.1
95.32813	0.8
96.64490	0.7
97.02877	6.6
97.03387	0.7
98.23341	1.8
98.97588	1.3
99.04449	1.6
104.19484	0.7
105.07029	15.2
107.08593	9.6
109.02870	0.8
109.06502	3.0
109.10152	35.0
115.03934	3.3
115.05403	1.1
117.06998	10.6
119.08575	14.1
119.09351	1.4
120.08936	1.0
121.06509	0.9
121.10124	4.7
123.08059	1.2
123.11705	3.2
125.05994	0.9
127.03920	2.8
128.06186	0.9
129.06944	1.9
130.07785	1.2
131.08575	12.7
133.04948	5.7
133.10126	6.6
135.08043	2.2
135.11722	2.0
137.05991	3.3
143.08540	3.6
145.04977	3.5
145.06461	1.7
145.10120	32.2
147.08121	1.3
147.11693	4.2
149.09549	1.3
155.08643	1.8
157.10118	4.1
158.10750	1.1
159.08051	1.0
159.11682	16.9
161.09662	1.0
161.13243	4.9
163.11174	1.1
167.07019	0.9
169.10158	1.1
171.11644	1.1
173.09641	1.9
173.13261	3.3
179.08578	0.9
181.10071	1.5
183.11720	1.1
185.09561	1.1
189.09152	1.0
191.17967	1.2
193.10150	1.0
195.11664	1.1
197.13263	1.0
199.14896	1.8
201.16377	100.0
202.16718	3.8
203.10588	0.8
203.17909	5.1
219.17435	11.0
221.13234	1.0
223.11317	1.3
225.09035	1.2
235.11041	1.1
245.13037	1.1
263.14230	0.9
281.11511	0.9
293.18768	1.3
295.13367	1.0
299.09140	1.5
303.08655	0.8
312.13498	0.8
313.10797	1.2
315.19601	0.9
318.10727	1.3
323.12823	2.1
324.13181	1.0
333.20792	1.3
355.15384	6.0
372.15540	1.0
387.18039	13.0
417.17502	0.9
425.19128	0.8
428.03394	0.9
435.18030	3.8
437.23230	15.0
438.23480	1.0
453.18637	1.8
471.23911	1.3
472.24298	1.5
489.24496	4.5
513.24707	1.9
549.22882	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.8
55.01863	5.2
55.05510	4.1
57.03447	2.5
63.80503	1.9
67.05510	9.7
69.03423	8.2
69.06035	11.5
69.06465	9.2
69.07063	4.8
71.04998	2.3
73.02914	4.2
79.05487	14.8
81.03477	2.8
81.07056	70.8
83.04982	2.5
83.08643	2.3
85.02915	9.4
91.05486	7.9
93.07042	21.1
95.04981	4.0
95.08595	14.4
97.02908	5.6
97.06538	5.2
105.07039	20.2
107.08598	19.2
109.06523	11.5
109.10152	10.9
111.08134	5.0
115.03947	4.0
117.07009	5.8
119.08601	17.5
121.06503	4.4
121.10139	12.4
123.08096	4.4
123.11723	2.7
127.03941	5.1
131.08560	13.1
133.04884	2.8
133.10143	15.7
135.08052	4.4
135.11707	5.9
137.05980	24.0
137.09642	4.2
143.08485	3.5
145.04988	3.2
145.06511	2.4
145.10104	20.4
147.08067	4.1
147.11696	5.9
149.09613	4.7
151.11188	3.9
155.08575	4.2
157.10126	4.8
159.08046	5.8
159.11674	15.9
161.09657	2.5
161.13264	6.2
163.11150	13.3
169.10066	3.0
171.11620	2.6
173.09601	2.5
173.13289	4.5
177.09074	3.4
177.12778	2.6
177.16479	2.5
181.09982	3.3
182.10857	2.9
184.23729	2.3
197.13327	2.6
201.16386	18.9
207.11787	3.3
211.11266	2.6
219.17456	27.0
225.12833	3.4
229.42065	2.3
237.18628	2.3
239.14153	2.9
247.14685	2.2
312.87003	2.4
357.13623	3.4
399.19391	3.6
401.17667	3.2
408.86465	2.4
419.18530	6.4
437.19937	4.0
449.19452	2.9
459.24957	3.8
477.26163	6.4
495.27191	5.5
513.21753	3.0
531.23584	21.0
549.24548	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
55.01864	7.0
55.05500	11.4
57.03427	9.2
57.07079	4.6
59.04988	5.9
67.05500	19.3
69.03431	30.5
69.07063	12.7
71.04977	7.4
71.30280	3.3
73.02931	6.7
78.22463	3.2
79.05497	30.6
81.03426	5.0
81.07053	85.5
82.07388	7.9
83.04981	9.7
83.08606	5.5
85.02910	31.9
85.06542	7.1
86.09702	8.1
90.55460	3.4
91.05480	25.6
93.07049	57.5
95.04966	9.4
95.08603	38.3
97.02887	21.7
97.06526	12.9
97.10213	5.6
99.04466	5.7
104.10699	6.2
105.07024	34.4
105.79353	3.6
106.07359	3.4
107.04928	5.5
107.08591	32.7
109.06513	32.3
109.10162	18.2
111.04449	4.2
111.08092	7.4
115.03919	9.2
117.07008	11.7
119.08586	43.2
121.06525	7.2
121.10119	18.4
123.08081	11.7
123.11703	21.4
124.75386	3.7
125.00001	4.8
125.09614	6.3
127.03906	12.4
127.11177	5.5
128.06230	4.9
129.07025	10.9
131.08530	20.0
133.04959	8.3
133.06476	5.1
133.10101	30.4
135.08047	11.0
135.11690	10.7
137.05974	42.7
138.06303	9.7
139.07559	6.2
143.08597	16.4
143.10623	4.0
145.04938	8.6
145.06526	4.5
145.10126	43.0
147.08031	13.5
147.11702	10.0
149.06024	3.8
149.09618	10.6
149.13338	4.0
151.03908	10.0
151.11169	9.8
155.07045	4.3
155.08562	9.9
157.10124	15.8
159.08104	8.0
159.11717	24.0
161.09627	9.6
161.13254	15.7
163.07585	5.6
163.11174	8.0
165.05489	100.0
167.07104	8.4
167.08504	7.4
169.10135	11.6
171.08047	4.1
171.11618	3.6
173.09679	9.1
173.13309	8.0
175.07555	8.6
177.09102	4.3
180.29155	3.7
181.04974	29.7
181.10042	6.0
183.08035	6.6
183.11693	7.0
184.07312	19.6
185.09586	6.9
185.13272	9.7
187.07556	4.4
187.11191	6.1
189.05566	5.0
189.09109	10.0
189.16394	4.4
191.10585	6.0
191.17929	5.0
193.08624	4.4
193.10237	4.6
195.08125	4.7
195.11797	8.8
197.09621	6.4
199.11137	5.1
201.08972	4.9
201.16388	41.5
203.10663	4.2
204.07767	12.7
205.10258	4.8
205.12190	7.7
206.10928	4.2
207.11749	6.5
209.13199	6.1
211.11198	8.1
211.14783	5.3
213.12662	3.6
215.10693	4.3
219.10097	35.4
219.17467	39.5
223.11235	7.1
225.12767	5.8
231.13705	5.6
233.11603	6.1
234.10243	3.9
235.11160	5.9
237.18456	16.9
245.13324	6.9
245.15485	4.7
247.14828	4.3
249.08745	3.8
253.12259	4.0
254.01076	3.7
257.13239	3.7
263.14560	5.1
291.17410	3.8
355.15125	4.7
387.18115	22.4
417.24185	12.9
419.18344	8.4
423.17828	15.1
425.23102	9.1
435.17773	4.4
435.25345	16.1
437.23434	21.6
441.18982	12.4
455.24277	7.9
459.25134	6.4
477.26389	7.5
495.19623	6.8
495.27661	6.1
513.24567	14.3
531.24921	7.9
548.30402	6.2
549.23242	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.5
55.01881	12.9
55.05516	18.5
57.03436	8.6
65.03941	7.7
67.05511	41.2
68.05852	4.6
68.68577	4.2
69.03426	12.8
69.07073	9.8
71.31069	4.6
73.02925	7.1
79.05497	29.0
81.03432	10.8
81.07059	100.0
82.07406	5.3
83.04980	29.9
83.08622	4.4
84.05316	6.6
85.02903	11.6
91.05470	32.0
92.05790	6.6
93.07037	53.5
94.07383	11.5
94.64323	4.4
95.04974	11.9
95.08601	49.8
96.08947	8.7
97.02915	14.8
97.06537	9.6
97.92363	4.4
105.07028	57.5
106.07378	9.9
107.04977	4.9
107.08598	40.3
109.02892	4.8
109.06492	19.0
109.10153	35.4
110.10524	6.6
111.04446	19.2
111.08090	16.3
112.04797	5.1
115.05479	4.8
117.07019	12.0
119.08583	45.6
120.08932	12.5
121.06524	9.9
121.10131	21.0
123.08086	15.6
123.11681	4.3
125.09651	6.4
128.06320	4.5
129.06985	10.2
130.07765	5.4
131.08568	26.0
133.06548	12.9
133.10136	38.5
134.10461	6.3
135.08055	13.3
135.11691	9.4
136.08362	4.5
137.09644	9.0
139.07547	7.2
140.07875	4.9
142.07675	7.5
143.08577	18.2
144.09047	9.8
145.10133	40.1
146.10422	4.8
147.08029	13.1
147.11707	18.8
149.09639	9.5
151.07570	7.5
155.08585	10.3
156.09171	6.7
157.10147	22.0
158.10490	9.7
159.08076	29.5
159.11684	24.4
160.08484	7.5
160.12033	5.9
161.09604	17.8
161.13245	11.4
163.11147	20.4
165.07031	5.5
167.08511	6.8
168.09196	5.3
169.10143	12.2
170.10461	9.3
171.08148	4.5
171.11700	13.4
172.12074	8.7
173.09584	11.8
173.13307	11.3
175.11095	8.9
175.14780	4.8
177.09129	5.7
179.08580	5.0
179.10875	4.3
180.09166	5.4
181.10120	14.2
182.10687	4.5
183.11691	10.2
184.08545	4.7
184.12114	10.0
185.09624	12.9
186.10298	4.0
186.13725	6.8
187.11229	5.2
193.08578	10.0
193.10152	9.6
194.08955	9.7
194.10635	4.4
195.11700	10.1
196.08813	4.4
196.12149	13.2
197.09601	4.5
197.13223	7.9
201.16383	32.9
202.13206	5.2
203.10683	6.4
206.10844	5.1
207.11714	9.3
208.12231	7.0
209.09610	4.9
209.13277	5.5
210.13797	4.3
211.11148	7.1
212.15305	4.8
213.12903	6.8
218.10556	4.7
219.17432	46.7
220.12163	8.0
221.13263	5.0
223.14748	5.8
224.11717	6.0
227.14310	5.0
231.11577	4.3
233.13170	6.3
234.13750	7.4
235.14742	5.3
236.15273	6.7
237.12639	5.0
238.13309	4.9
239.14261	8.6
245.13248	6.0
246.13507	6.6
248.15205	6.1
250.13017	5.1
263.14285	5.3
265.16025	5.2
277.15839	6.1
297.18491	4.2
299.16534	7.4
325.18207	7.5
343.19138	28.4
361.20160	5.0
416.23196	6.7
477.25940	9.8
495.26929	5.5
549.24323	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.9
55.05504	1.8
57.03437	4.1
57.07056	0.9
59.05015	1.0
61.02927	1.5
67.05505	8.7
69.03429	5.5
69.07068	3.2
71.01358	0.7
71.65557	0.7
73.02919	5.7
79.05481	5.6
81.03456	0.9
81.07065	8.6
83.05010	1.0
85.02902	11.3
91.05474	9.1
93.07037	10.4
95.04960	2.1
95.08606	9.1
95.32813	0.8
96.64490	0.7
97.02877	6.6
97.03387	0.7
98.23341	1.8
98.97588	1.3
99.04449	1.6
104.19484	0.7
105.07029	15.2
107.08593	9.6
109.02870	0.8
109.06502	3.0
109.10152	35.0
115.03934	3.3
115.05403	1.1
117.06998	10.6
119.08575	14.1
119.09351	1.4
120.08936	1.0
121.06509	0.9
121.10124	4.7
123.08059	1.2
123.11705	3.2
125.05994	0.9
127.03920	2.8
128.06186	0.9
129.06944	1.9
130.07785	1.2
131.08575	12.7
133.04948	5.7
133.10126	6.6
135.08043	2.2
135.11722	2.0
137.05991	3.3
143.08540	3.6
145.04977	3.5
145.06461	1.7
145.10120	32.2
147.08121	1.3
147.11693	4.2
149.09549	1.3
155.08643	1.8
157.10118	4.1
158.10750	1.1
159.08051	1.0
159.11682	16.9
161.09662	1.0
161.13243	4.9
163.11174	1.1
167.07019	0.9
169.10158	1.1
171.11644	1.1
173.09641	1.9
173.13261	3.3
179.08578	0.9
181.10071	1.5
183.11720	1.1
185.09561	1.1
189.09152	1.0
191.17967	1.2
193.10150	1.0
195.11664	1.1
197.13263	1.0
199.14896	1.8
201.16377	100.0
202.16718	3.8
203.10588	0.8
203.17909	5.1
219.17435	11.0
221.13234	1.0
223.11317	1.3
225.09035	1.2
235.11041	1.1
245.13037	1.1
263.14230	0.9
281.11511	0.9
293.18768	1.3
295.13367	1.0
299.09140	1.5
303.08655	0.8
312.13498	0.8
313.10797	1.2
315.19601	0.9
318.10727	1.3
323.12823	2.1
324.13181	1.0
333.20792	1.3
355.15384	6.0
372.15540	1.0
387.18039	13.0
417.17502	0.9
425.19128	0.8
428.03394	0.9
435.18030	3.8
437.23230	15.0
438.23480	1.0
453.18637	1.8
471.23911	1.3
472.24298	1.5
489.24496	4.5
513.24707	1.9
549.22882	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48446	1.3
53.03952	1.6
53.18024	1.0
55.05515	15.7
59.44933	1.0
59.78032	1.2
62.58261	1.0
67.05501	3.2
69.07064	2.1
69.45285	7.0
71.01344	1.5
77.94007	1.1
79.05501	3.6
81.07074	5.8
83.04985	100.0
84.05299	1.6
87.49429	1.1
91.05497	4.5
93.07058	7.1
95.04956	2.0
95.08613	8.1
98.22687	1.8
101.35754	1.1
105.03413	1.1
105.07032	7.9
107.08600	4.5
109.06520	2.7
109.10171	1.9
111.04409	2.3
111.08072	2.8
115.05446	1.0
115.80009	1.0
117.07025	2.6
119.08603	7.3
121.06522	2.7
121.10151	3.0
123.08070	4.4
128.06270	1.6
129.07024	2.9
131.08553	3.5
133.10150	6.0
135.08070	2.5
139.07574	1.3
141.07048	1.3
142.07677	1.4
143.08586	6.2
145.06474	1.6
145.10136	5.7
147.08061	2.3
147.11678	3.2
155.08554	4.1
156.09361	1.9
157.10127	8.3
159.08032	2.0
159.11671	7.1
161.09627	4.0
161.13222	2.9
163.11211	1.4
167.08607	1.3
169.10147	3.8
171.08081	1.7
171.11688	4.0
173.09612	2.5
173.13281	3.0
175.11215	1.9
179.08522	1.1
180.09389	1.3
181.10117	2.3
183.11693	5.7
185.09612	2.6
185.13229	8.3
187.11247	3.5
187.14784	2.3
189.12793	2.1
193.10107	1.5
195.11642	3.4
197.09766	1.9
197.13303	2.4
199.11270	2.4
199.14894	1.4
201.12802	3.2
207.11768	1.8
209.13239	2.9
211.11273	2.7
211.14911	3.4
213.09244	1.2
213.12779	3.5
215.14380	1.2
223.14810	2.4
224.15573	1.7
225.12929	2.4
227.14249	2.5
231.13770	2.2
239.14305	1.4
239.18033	2.4
241.15967	1.6
243.13913	1.1
247.14731	1.3
267.14246	1.3
267.17508	3.7
267.93188	1.1
279.21359	1.4
283.16959	1.6
292.52426	1.1
293.18954	1.4
299.19922	1.7
299.71310	1.1
317.63684	1.2
323.19958	2.3
325.18030	1.8
325.21417	6.0
327.19672	3.7
341.21152	1.7
345.20493	1.6
351.19623	2.4
369.20563	4.3
379.26303	1.9
381.24158	1.3
389.24661	2.4
407.25842	23.6
408.26501	1.7
425.26758	2.7
437.22797	1.3
477.26309	1.2
495.27325	2.1
513.28473	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.5
55.01873	5.9
55.05515	39.7
65.03938	7.2
67.05502	69.4
69.03416	7.3
69.07059	17.6
71.01346	6.9
71.04993	6.2
79.05490	33.1
81.07059	57.0
83.04988	100.0
85.87480	4.1
91.05481	55.7
93.07043	50.5
94.34866	4.2
95.01332	5.6
95.04978	23.1
95.08606	79.1
95.09171	7.3
97.06529	9.3
98.22546	10.4
98.89313	4.8
103.05449	4.5
105.03419	4.8
105.07034	88.5
107.04948	7.2
107.08596	63.4
109.06522	26.5
109.10143	54.7
111.04428	17.8
111.08092	17.7
115.05454	8.3
117.07021	20.9
119.08582	73.9
121.06491	17.7
121.10124	29.6
123.00831	6.7
123.08059	37.5
123.11697	6.8
125.06020	5.6
128.06221	17.2
129.06987	23.4
130.07787	7.8
131.08563	48.7
133.06517	18.9
133.10144	39.0
135.08044	23.5
135.11690	9.9
137.05971	13.7
137.09605	5.1
139.07542	13.9
141.06970	19.2
141.09084	4.4
142.07796	30.2
143.08560	56.3
144.09354	5.7
145.06473	10.5
145.10132	56.2
147.08031	32.5
147.11687	27.5
149.09641	13.9
151.07544	24.2
153.06973	6.6
154.07726	5.2
155.08560	32.5
156.09422	22.2
157.10127	80.0
159.08084	17.6
159.11664	39.5
160.12498	6.1
161.09598	21.4
161.13226	13.2
163.11139	8.1
165.06995	10.6
166.07851	5.5
167.08594	16.1
168.09369	7.0
169.10136	40.4
170.10915	11.0
171.08023	20.7
171.11720	41.2
172.08818	6.8
173.09628	16.4
173.13274	23.0
175.07516	7.2
175.11180	13.3
179.08537	15.6
181.10120	18.4
182.10840	8.9
183.11694	44.2
184.12482	6.7
185.09622	19.0
185.13222	23.5
187.11191	16.9
187.14824	5.9
189.09131	7.8
189.12674	5.7
192.09476	6.5
193.08571	23.3
193.10172	13.1
194.10872	6.1
195.07959	7.8
195.11755	31.4
196.08757	7.3
196.12103	6.1
197.09619	11.6
197.13261	40.5
198.13809	5.9
199.11259	22.1
199.14764	29.1
200.15291	5.0
201.12717	12.1
203.10709	8.5
206.10950	5.3
207.11736	24.2
208.12459	5.6
209.09671	7.8
209.13251	20.5
211.11198	17.8
211.14859	14.6
213.09283	6.1
213.12683	14.2
213.16402	6.6
219.11639	13.8
221.13197	18.0
223.11188	12.1
223.14783	14.6
224.15614	7.2
225.12761	12.0
225.16406	12.9
227.10774	7.2
227.14272	8.2
229.12395	5.3
233.13303	9.3
235.11110	7.2
235.14780	10.6
237.12740	12.7
237.16351	7.5
239.14439	10.5
239.18039	11.4
241.15881	7.7
247.14778	8.3
247.17082	7.1
249.16382	11.1
251.14340	5.0
251.17966	6.3
253.15813	8.6
259.16968	5.0
261.16354	8.5
263.14304	4.8
265.15866	10.0
267.14005	7.2
267.17331	9.5
277.15894	8.8
283.17059	7.6
307.16931	4.9
323.20026	9.3
339.23138	14.2
351.19421	5.8
355.19818	4.9
363.23212	8.1
369.20322	7.3
379.26111	6.7
395.18402	10.2
407.25943	24.5
413.19415	9.6
415.25870	4.9
417.24228	11.9
431.25919	9.9
435.25168	10.8
441.24210	7.0
447.25223	7.2
449.26794	9.4
459.25305	12.5
461.26221	6.2
477.26288	45.7
487.55832	5.1
495.27737	21.5
513.28571	14.5
527.04089	5.0
531.29504	12.8
548.32050	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30538	7.4
51.51400	7.6
52.20524	8.5
53.03969	18.2
55.01875	17.9
55.05510	54.7
58.87983	9.5
60.38546	8.0
60.49693	7.3
67.05508	57.1
69.03429	19.0
69.07069	26.5
69.15072	75.2
79.05489	41.1
81.03434	17.3
81.07053	36.0
83.04976	100.0
83.08644	24.3
84.42277	8.6
86.09679	9.9
91.05477	58.1
93.07049	84.2
95.04979	23.7
95.08605	89.2
104.10747	11.8
105.07019	96.4
107.08588	63.2
107.09243	11.8
109.06511	23.3
109.10141	19.7
111.04457	58.2
111.08086	36.7
117.07027	28.3
119.08568	84.5
119.09364	10.7
121.06477	44.2
121.10154	25.1
123.08071	21.7
128.06218	17.9
129.07001	20.0
131.08568	40.6
133.10127	96.4
135.08084	34.4
135.11656	11.7
137.05991	12.5
139.07527	28.5
141.06985	12.8
142.07806	17.2
143.08551	61.4
145.10092	72.8
147.08096	38.4
147.11703	32.8
149.09665	15.4
155.08577	18.4
156.09370	16.2
157.10136	78.7
159.08022	29.5
159.11726	41.8
159.73712	8.0
161.09627	77.0
161.13365	10.4
163.11185	10.8
167.08545	20.4
168.09343	15.8
169.10098	56.5
170.10876	21.1
171.08139	14.9
171.11681	51.5
173.09624	19.7
173.13324	23.9
175.07558	37.3
175.11200	13.9
179.08565	27.4
180.09430	11.2
181.10120	53.7
182.10927	22.2
183.11710	59.6
184.07387	11.1
184.12479	12.0
185.09692	16.4
185.13249	34.6
187.11217	18.8
189.09131	76.6
189.12790	11.7
193.10211	27.8
195.10182	9.7
195.11650	43.5
196.12425	16.2
197.13208	50.4
199.11185	24.7
199.14914	13.4
201.12727	21.9
207.11725	33.8
208.12300	11.8
209.13237	50.8
211.11238	21.7
211.14746	46.7
213.12769	14.7
213.16324	11.2
215.14322	18.1
217.10199	11.6
219.11800	13.7
220.12401	13.1
221.13148	42.9
223.11197	21.9
223.14806	28.2
224.11850	14.0
225.12831	15.4
225.16463	31.1
227.14313	20.9
227.17969	16.0
229.19524	11.8
233.13281	22.8
235.14865	20.8
236.15727	9.6
237.12682	10.3
237.16452	26.5
239.14337	21.7
239.18004	16.4
241.12247	17.3
245.13248	13.6
245.15459	11.2
246.13942	11.5
247.14827	23.8
249.12859	10.8
249.16386	17.8
251.14484	17.0
251.17871	24.2
253.19585	12.4
257.15680	10.5
263.14307	9.4
265.15924	21.0
265.19461	19.4
267.20981	8.7
269.22675	15.2
275.14511	10.5
275.17966	10.3
277.15884	13.0
279.17459	10.9
279.20996	18.7
280.22046	10.9
281.15463	13.9
289.19449	11.4
295.16968	17.6
309.18805	11.3
323.19873	15.9
347.20020	11.7
379.26401	21.0
385.23938	10.5
389.24692	21.8
407.26053	41.3
431.26187	14.0
433.27490	20.7
435.25174	19.7
459.25153	25.7
477.26288	42.9
478.26715	13.1
495.27231	22.3
513.28253	35.5
548.31494	10.3
549.22589	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.7
67.05509	9.4
69.03442	2.1
69.06503	10.2
69.07063	5.4
71.04989	1.8
79.05507	10.0
81.07057	10.4
83.04974	15.8
83.08634	1.5
91.05475	11.3
93.07059	12.4
95.04956	4.9
95.08604	18.3
97.02831	1.7
97.06541	3.3
99.04464	3.3
103.05434	1.5
105.07033	18.0
107.08611	10.3
109.06532	7.6
109.10161	7.1
111.04478	9.2
111.08099	3.5
117.07024	4.8
119.08582	24.2
121.06496	5.8
121.10157	5.4
123.08071	25.6
125.09644	1.9
128.06281	3.3
129.06984	6.4
131.08562	13.3
133.10144	10.5
135.08061	6.9
135.11685	1.6
137.05954	3.5
137.09602	4.1
139.07523	2.9
141.06993	4.9
142.07822	3.6
143.08560	18.4
145.06461	2.7
145.10121	18.5
147.08017	4.8
147.11720	9.4
149.09613	1.8
151.07576	1.9
153.06966	1.6
155.08556	18.0
156.09320	2.3
156.68620	1.3
157.10127	17.7
159.08064	4.0
159.11687	13.4
161.09616	7.9
161.13254	4.3
161.63820	1.4
163.11163	1.9
165.06985	4.6
166.07562	1.6
167.08588	4.0
168.09337	2.0
169.10123	13.7
170.10884	2.8
171.08063	2.6
171.11661	16.2
173.09601	15.3
173.13275	3.4
175.11162	5.5
178.07898	2.0
179.08545	4.4
180.09250	1.7
180.58797	2.0
181.10085	9.0
182.10823	3.3
183.11662	13.3
185.09612	4.3
185.13245	8.8
187.11217	10.0
187.14807	3.4
189.09128	2.0
189.12758	5.2
192.09319	2.8
193.10083	4.9
193.12105	1.8
194.10925	2.2
195.11714	10.8
196.12408	2.9
197.09627	3.1
197.13274	13.3
199.11232	4.9
199.14787	6.4
201.09225	1.6
201.12698	2.9
205.10048	2.5
205.12186	3.1
206.10855	2.3
207.11650	9.1
208.12367	2.7
209.13220	10.1
210.14017	1.8
211.11171	4.1
211.14850	9.6
213.12766	4.5
213.16313	1.8
215.10684	2.8
219.11661	3.8
221.13304	8.7
223.11200	3.4
223.14777	10.0
225.12627	7.4
225.16408	5.2
226.13513	2.5
227.14293	3.7
229.12302	2.5
229.15878	3.6
231.11804	1.6
233.13223	4.0
235.11182	1.9
235.14810	5.9
236.15283	2.1
237.12802	3.1
237.16418	4.5
239.14322	4.6
239.17841	2.1
241.15749	6.9
247.14857	4.1
249.12823	1.9
249.16399	5.4
251.14307	2.5
251.17889	5.4
253.15933	3.3
253.19640	2.4
255.13882	2.0
259.14862	2.2
261.12665	1.6
261.16418	4.0
263.14258	2.8
263.17960	3.7
265.15897	3.5
267.14005	1.8
267.17252	3.5
273.14890	1.8
275.17819	4.3
277.15997	2.6
277.19269	2.6
279.17380	3.4
281.19034	3.0
289.15872	1.6
289.19281	2.1
291.16058	2.2
293.15503	1.7
293.18954	4.6
295.16772	3.7
295.20285	2.5
303.16052	1.6
307.20294	2.2
318.19702	1.8
319.20502	2.2
337.21573	2.0
345.22305	1.9
349.21332	1.8
355.19177	3.7
357.20755	2.7
363.19403	1.8
373.25235	4.2
381.20566	3.5
385.23718	3.4
389.24780	3.2
391.26468	6.8
397.25266	1.8
399.21750	15.7
405.27884	3.5
407.25595	2.1
415.26328	9.3
417.24185	5.9
421.27087	5.0
423.23447	1.5
431.25916	1.7
433.27383	60.0
434.27750	3.9
435.25238	1.9
441.23920	2.9
449.26993	6.9
451.28439	49.9
452.28619	4.7
455.24246	3.5
459.25250	22.0
460.25748	2.4
465.26334	10.7
467.27811	5.0
471.23059	1.9
477.26392	88.7
478.26648	9.7
483.27347	9.3
495.27408	100.0
496.27789	9.7
496.34265	1.4
513.28479	75.1
514.28638	5.7
531.29132	4.5
548.32123	5.1
549.23993	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47497	4.9
53.03939	14.7
55.05512	28.5
59.04973	5.6
65.90614	4.7
67.05507	39.2
69.03423	15.3
69.07069	13.0
71.32099	9.3
79.05495	24.5
81.07048	40.2
83.04983	89.4
91.05470	38.9
93.07047	56.0
95.04969	23.8
95.08604	61.2
97.02846	7.9
97.06534	13.7
100.12354	4.8
103.05467	70.6
104.05801	23.9
105.07024	54.8
107.08591	40.9
109.06513	24.3
109.10175	33.6
111.04460	37.9
111.08096	19.2
113.06034	8.1
117.06998	13.3
119.08569	61.5
121.06510	17.0
121.10141	19.7
123.08061	20.0
128.06171	8.7
129.07007	16.4
130.07788	9.5
131.04933	100.0
131.08568	31.7
131.09392	5.4
132.05278	44.4
133.06464	11.1
133.10132	41.5
135.08064	14.8
137.06010	15.9
139.07538	15.3
141.06967	8.8
142.07755	14.8
143.08597	38.9
145.10146	57.0
147.08038	16.8
147.11661	37.3
149.09613	9.5
151.07526	12.4
154.07834	8.1
155.08542	14.6
156.09326	20.5
157.10139	63.4
159.08046	20.8
159.11690	26.6
161.06000	5.7
161.09669	27.3
161.13252	9.4
163.07573	5.3
165.07004	8.1
167.08583	7.9
168.09351	7.0
169.10178	29.3
170.10843	6.3
171.11700	38.5
173.09558	15.8
173.13274	19.7
175.07535	5.4
175.11194	11.6
177.05568	5.6
177.09076	5.8
179.08553	11.0
181.10152	20.5
182.10837	8.2
183.11650	37.0
184.09021	5.1
184.12523	6.5
185.09630	19.5
185.13281	40.2
187.11238	15.4
187.14897	8.6
193.08540	11.6
193.10123	18.4
194.10898	9.8
195.11728	17.1
196.12311	7.1
197.09625	15.0
197.13249	24.2
198.13986	5.9
199.11177	19.5
199.14781	27.9
201.12720	15.6
201.16449	9.2
203.10706	6.0
204.11171	5.1
206.10910	5.2
207.11720	18.3
209.13327	31.7
210.13998	6.8
211.11212	17.3
211.14833	16.8
213.12773	12.4
213.16411	13.4
215.14157	5.2
220.12401	8.5
221.13284	20.1
223.14832	19.8
224.15631	5.4
225.12833	11.7
225.16379	16.1
227.14256	13.2
233.13243	13.3
235.14854	11.2
237.12746	9.5
237.16307	8.7
239.14268	13.1
239.17905	7.6
241.15883	15.7
245.15448	9.5
247.14790	10.7
247.16991	8.8
249.16451	9.1
251.14398	7.2
251.17670	6.5
253.15895	9.8
255.13835	6.2
259.17102	10.7
261.12473	6.6
265.15845	6.7
267.17462	7.3
275.17850	5.6
277.15988	8.1
283.16943	8.0
284.10416	5.2
289.19516	6.3
291.17203	5.3
293.15488	6.3
293.18686	6.2
295.16901	9.0
297.18527	13.0
303.17551	7.9
309.18143	6.3
319.16934	7.3
321.18500	7.3
323.20016	6.8
325.18222	5.9
327.19415	8.7
329.78870	5.5
336.13065	7.3
337.14206	9.2
337.17947	7.4
338.18848	9.3
339.23172	14.5
349.21814	8.9
369.16632	6.7
379.26358	10.7
399.23450	7.8
400.18390	8.0
407.25732	12.9
435.25156	6.4
459.25348	14.0
477.26456	19.5
495.27454	11.5
513.28601	7.2
531.29816	9.1
548.31952	25.4
549.24469	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	12.4
58.19792	3.1
67.05505	22.4
69.07071	16.4
75.57838	3.3
79.05475	17.0
80.01294	3.2
81.07069	22.9
83.04980	21.3
83.08634	4.4
91.05467	21.8
93.07034	33.3
95.04979	5.9
95.08602	52.3
97.06536	4.6
97.83700	3.3
98.23431	7.3
105.07038	42.5
107.08585	34.5
109.06533	7.1
109.10156	16.4
111.04460	6.0
111.08079	9.9
117.07029	13.0
119.08574	46.1
121.06487	5.4
121.10124	23.2
123.08086	14.0
123.11728	7.4
128.06284	4.4
129.07016	13.7
130.07826	5.6
131.08575	29.0
133.10115	37.5
133.62166	3.4
135.08061	4.1
135.11710	8.0
139.07520	3.6
141.06956	6.0
142.07782	9.1
143.08580	32.9
145.10117	38.2
147.08064	10.7
147.11699	17.1
149.09657	7.2
149.13213	4.9
155.08530	16.6
156.09373	9.5
157.10124	43.2
159.08060	4.3
159.11671	28.5
160.12375	4.3
161.09630	13.6
161.13290	13.3
163.11183	4.8
167.08569	5.8
168.09329	5.0
169.10112	20.4
170.10878	5.1
171.11655	28.7
173.09656	10.0
173.13208	27.9
175.11180	13.7
175.14796	8.0
177.16379	4.8
180.09496	4.2
181.10127	7.4
183.11633	16.6
185.09668	6.6
185.13229	30.7
187.11200	9.3
187.14833	19.7
189.12767	10.2
189.16393	5.7
195.11765	12.4
196.12454	3.5
197.13310	15.4
197.87927	3.3
199.11209	8.6
199.14838	13.9
201.12775	7.8
201.16418	7.7
203.14214	5.0
207.11673	6.3
209.13203	16.6
211.11255	4.0
211.14853	14.1
213.12798	10.5
213.16379	8.6
215.14400	16.4
221.13266	5.2
223.14720	8.5
225.12825	4.8
225.16380	7.8
227.14355	9.8
227.17969	27.8
229.15924	7.7
239.18027	5.6
241.15793	6.1
241.19574	12.2
251.14243	4.7
251.17973	12.0
253.15823	5.4
253.19478	7.2
255.17459	7.3
267.17514	6.9
267.20886	4.6
269.18857	21.3
279.17490	3.8
295.20505	12.2
311.19870	4.1
327.23145	6.6
351.23163	4.4
363.26590	4.2
367.26364	61.1
368.26825	5.5
369.24417	16.9
373.25012	4.6
381.27939	19.0
385.27341	17.5
391.26053	27.7
409.27371	100.0
410.27576	10.6
427.28796	3.9
433.27292	14.8
451.28406	14.0
469.29333	4.7
470.54422	3.5
477.26263	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60490	1.9
53.03952	4.3
55.05508	9.2
66.47891	2.3
67.05505	15.3
69.03423	6.9
69.07075	5.1
71.04981	2.2
79.05489	15.2
81.07062	23.8
83.04983	20.7
85.06559	3.6
91.05492	18.8
93.07039	25.7
95.04961	11.1
95.08616	34.5
97.02915	3.6
97.06532	7.2
105.07030	25.6
107.08591	20.9
109.06516	30.6
109.10153	9.8
111.04434	10.2
111.08093	15.7
115.05449	3.3
117.07059	10.4
119.08567	26.9
121.06521	10.8
121.10133	7.0
123.08076	27.0
125.06005	9.5
125.09624	8.0
128.06218	6.0
129.07039	10.3
130.07832	3.4
131.08582	19.4
133.06502	10.1
133.10129	16.1
135.08054	15.0
136.08612	2.2
137.05975	6.5
137.09598	4.0
139.07524	8.1
141.07004	9.2
142.07797	6.3
143.08560	24.0
144.09373	3.2
145.06493	7.3
145.10103	20.6
147.08043	10.6
147.11687	8.5
149.09630	13.5
151.07550	6.2
153.06944	3.3
154.07770	2.6
155.08546	27.0
156.09352	6.0
157.10147	21.7
158.07278	3.7
159.08075	13.4
159.11685	16.6
159.93831	2.1
161.09564	11.3
161.13127	2.3
165.07010	4.2
166.07736	2.1
167.08577	9.5
168.09247	3.7
169.10155	17.3
170.10811	2.4
171.08009	7.9
171.11685	18.4
172.12080	2.3
173.09622	37.8
173.13254	5.9
175.07520	5.2
175.11200	8.6
177.09207	2.4
179.08577	8.7
180.09259	3.1
181.10092	19.7
182.10982	3.5
183.11639	18.1
185.09642	10.9
185.13237	6.2
186.10223	2.2
187.11214	14.6
187.14862	2.6
189.09190	2.3
189.12723	5.1
191.08664	3.2
191.10638	2.6
192.09340	6.7
193.08531	6.0
193.10158	16.0
194.10878	7.5
195.11684	19.8
196.08888	2.6
196.12367	4.7
197.09654	11.1
197.13185	13.4
199.11194	9.0
199.14880	6.2
201.09113	4.7
201.12756	4.5
203.08536	2.6
203.10648	2.8
205.10194	6.2
206.10884	5.3
207.10019	3.3
207.11707	22.7
208.12395	3.2
209.09657	6.8
209.13219	18.9
210.10394	3.4
211.11238	14.9
211.14853	8.7
212.11914	2.3
213.12775	12.8
215.14299	2.9
217.10216	4.3
218.10840	4.8
219.11624	12.2
220.12369	3.4
221.09683	3.7
221.13242	13.1
222.13908	4.8
223.11342	12.9
223.14848	11.5
225.09155	2.4
225.12718	19.4
227.10768	3.2
227.14207	5.5
228.15060	3.5
229.10339	3.3
229.15884	2.5
231.11636	2.8
232.12352	2.5
233.13278	8.5
234.14026	3.0
235.11194	4.2
235.14793	12.6
237.12810	11.4
237.16418	3.6
239.14403	4.5
243.11618	4.4
243.14006	2.7
244.12468	3.9
245.13289	6.9
246.13872	3.5
247.11102	4.3
247.14870	12.0
248.15358	2.5
249.12672	5.3
249.16341	9.7
251.14326	6.7
251.17984	4.6
253.12306	3.0
253.15894	5.3
255.13754	4.8
258.13870	2.7
259.14850	7.7
260.15411	2.5
261.12695	6.2
261.16385	5.3
263.14221	7.0
263.18048	3.5
265.15872	6.1
267.13718	4.5
267.17590	3.7
273.16440	3.5
275.14328	5.1
275.18008	2.5
277.15811	9.8
277.18991	2.4
278.16595	2.8
279.17328	5.2
281.19073	3.3
285.16382	3.4
287.17853	3.3
289.15961	4.7
291.17444	4.9
293.15665	3.2
293.18921	5.0
295.16943	6.9
303.17410	6.0
305.15482	3.7
307.16949	3.1
307.20367	4.0
311.20099	3.2
318.19888	2.9
319.17007	3.0
321.18454	3.8
331.16757	3.2
334.22809	2.6
339.19556	3.7
363.23495	2.7
371.23911	2.8
387.23026	5.1
389.24622	6.9
395.23883	2.2
399.23111	9.2
401.20584	2.5
405.24075	8.8
407.25757	9.1
413.24890	5.6
415.26437	3.5
417.24268	65.4
418.24426	4.4
423.25140	9.8
425.23099	24.8
431.25912	8.5
433.27606	18.0
435.19284	4.8
435.25305	100.0
436.25513	8.3
437.23135	13.9
441.24356	13.2
447.25381	4.2
449.27380	11.2
451.28625	19.7
453.26468	54.7
454.27246	2.6
455.24271	6.2
459.25378	37.3
465.26205	6.6
467.24234	7.2
471.27310	2.7
477.26395	76.8
478.26651	4.4
495.27463	33.1
496.27759	3.0
501.24518	3.7
513.28540	3.7
530.28815	2.2
531.25854	10.9
548.29645	4.2
555.19897	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	14.9
67.05494	29.0
69.01960	36.1
69.02384	69.3
81.07069	18.8
83.04964	19.9
91.05492	18.6
93.07059	25.3
95.08588	36.8
98.22556	18.9
105.07032	17.8
107.08583	15.5
109.10113	11.4
111.08078	15.5
119.08570	20.2
121.10143	13.4
123.08057	32.0
131.08575	14.2
133.10089	13.2
135.08044	14.3
137.05910	13.0
145.10106	17.7
157.10103	22.3
159.11676	18.8
169.10120	14.0
171.11746	15.0
179.08548	12.0
207.11739	13.0
209.13297	25.6
225.16467	11.8
229.11745	11.6
237.12628	11.3
239.14139	15.4
277.15720	13.8
291.17651	12.9
293.19122	15.1
355.19296	12.1
415.17606	31.5
426.16040	17.9
433.27515	67.7
451.28281	39.6
459.25388	13.8
477.26416	69.8
495.27399	100.0
513.28345	41.3
549.24261	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	12.4
55.01871	13.1
55.05499	34.1
67.05502	48.7
69.03414	27.3
69.07089	22.4
72.64293	9.3
79.05496	36.7
81.03408	17.6
81.07049	37.2
83.04974	83.8
83.08605	17.0
91.05469	67.2
93.07058	78.3
95.04955	25.6
95.08598	75.0
98.22636	27.4
105.07046	91.2
107.08594	41.0
109.06493	23.4
109.10172	19.7
111.04474	60.5
111.05096	11.6
111.08063	19.9
117.07059	20.4
119.08566	65.1
121.06467	25.0
121.10162	22.0
123.08076	37.9
123.11696	10.8
128.06248	16.8
129.06966	16.2
131.08559	43.0
133.10133	100.0
135.08035	32.7
135.11679	14.4
137.09613	11.9
139.07516	11.0
142.07695	17.8
143.08585	42.8
145.06476	11.1
145.10123	59.9
146.07066	10.5
147.08028	29.9
147.11679	27.6
149.09647	20.8
155.08545	31.6
156.09357	12.9
157.10110	74.1
159.08020	11.6
159.11707	29.9
161.09654	60.2
161.13254	10.0
163.07426	10.3
167.08604	25.0
168.09334	23.2
169.10139	56.1
170.10818	17.7
171.08067	16.2
171.11685	42.0
173.09650	31.8
173.13242	20.6
175.07564	40.1
175.11263	12.8
175.14845	14.3
179.08580	15.4
180.09367	11.8
181.10141	41.5
181.55478	11.8
182.10971	13.2
183.11670	58.0
185.09599	20.3
185.13257	47.9
187.11176	23.6
189.09146	56.3
193.10146	22.7
194.10831	12.5
195.10153	15.7
195.11722	45.4
196.12424	19.7
197.13249	56.7
199.11244	16.0
199.14787	27.8
201.12675	14.5
205.10181	15.6
205.12164	13.8
206.10805	16.2
207.11670	45.8
209.13205	34.5
211.11218	20.0
211.14833	42.4
212.11810	12.5
213.12726	26.3
217.12222	13.8
219.11909	10.3
220.12337	15.9
221.13274	31.2
223.11435	15.0
223.14815	33.8
225.12666	18.8
225.16379	14.0
227.14177	13.1
229.12201	10.3
231.11783	13.2
233.13310	14.6
235.14719	18.2
237.16370	18.4
239.14244	15.4
239.18036	11.1
241.12206	12.9
249.12988	14.3
249.16415	16.9
251.17986	21.5
253.19695	10.8
263.14178	15.5
263.17767	10.4
265.15997	14.6
269.22809	18.3
277.16095	12.0
283.16794	11.7
291.17319	13.3
293.15173	14.2
307.20621	12.6
331.19238	10.9
349.21420	13.6
389.24863	12.6
407.25778	28.2
417.24207	24.2
435.25458	34.8
451.28253	11.3
459.25143	34.9
477.26245	65.0
495.27332	39.0
513.28131	13.6
549.23553	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	8.2
55.05517	8.3
67.05507	13.3
69.03438	18.4
69.07069	4.2
70.31829	5.2
70.32191	8.6
76.12434	4.2
79.05496	24.0
80.05843	5.0
81.07060	100.0
82.07384	28.9
83.04993	14.4
91.05472	22.7
92.05804	5.7
93.07031	20.2
94.50800	3.9
95.04973	12.1
95.08613	24.1
97.02914	6.4
105.07030	22.8
107.08595	14.4
107.78242	4.0
109.06532	37.1
110.06863	13.4
111.04430	7.8
111.08058	7.3
117.07037	10.3
118.19174	3.8
119.08608	19.3
121.06535	9.5
121.10179	7.2
123.04448	7.5
123.08071	15.1
129.07007	9.0
131.08578	19.6
133.10149	14.3
135.08064	16.2
137.05980	94.0
138.06332	37.4
139.06551	13.9
139.07567	4.4
141.06975	5.4
143.08560	9.2
145.10124	13.1
147.08058	6.3
148.08334	3.8
151.11192	7.7
151.50755	3.9
155.08575	11.8
156.09375	6.3
157.10152	14.1
159.08069	14.3
159.11743	11.6
161.09641	11.7
163.07608	6.1
165.07014	6.0
167.08551	8.6
169.10207	14.6
171.11732	8.1
173.09628	12.2
175.07599	5.3
175.11214	6.9
178.07745	4.1
179.08562	5.7
181.10133	5.2
183.08035	4.1
183.11717	8.2
185.09695	10.8
185.13269	5.7
187.11212	8.0
193.10191	11.3
194.10896	3.9
195.11659	9.1
196.12379	4.9
197.09561	14.3
197.13313	9.6
199.11214	9.0
207.08063	3.9
207.11786	10.7
209.09630	6.2
209.13306	9.4
211.11172	5.9
211.14886	5.6
213.12787	5.0
215.10675	6.5
221.09372	4.3
221.13229	8.8
223.07465	4.5
223.11160	5.9
223.14813	7.6
225.12767	6.7
231.11725	6.0
233.13283	4.9
234.10197	3.8
234.13882	4.7
237.12808	6.5
249.12633	6.9
305.15540	5.1
317.15323	4.0
322.19055	5.7
340.13272	4.9
355.19232	4.8
363.19321	6.0
381.21036	4.4
401.20758	6.4
413.24902	10.8
419.22046	11.5
431.25824	9.5
431.69400	4.6
435.20935	11.4
437.22360	14.8
441.24033	18.0
447.25159	7.1
453.21329	5.5
459.25287	48.9
477.26517	62.1
495.28229	38.8
496.27863	5.5
513.22827	5.0
548.27600	5.0
549.24634	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
53.52347	2.4
55.05511	7.5
57.07061	3.3
60.08163	7.5
62.69301	2.6
64.45007	2.5
67.05505	18.3
69.03424	12.1
69.07065	8.2
70.05025	2.6
70.32813	4.5
71.04978	3.0
71.07340	3.2
79.05492	16.6
79.56619	2.5
81.03415	3.9
81.07061	37.6
83.04984	17.9
85.02908	9.8
85.06539	11.5
86.09708	37.6
91.05476	17.0
93.07036	19.1
95.04971	16.0
95.08606	29.2
97.02917	4.5
97.06523	11.6
98.98460	2.8
99.04459	6.6
104.10752	7.1
105.07033	27.8
107.08589	20.3
109.06519	25.3
109.10152	12.5
111.04447	10.1
111.08096	10.1
115.03898	2.4
116.51749	2.5
117.07016	6.8
119.08597	18.1
121.06471	6.8
121.10137	10.2
123.08078	21.3
123.11651	5.4
124.99986	24.4
125.09630	19.7
127.03922	4.2
129.07033	7.8
131.08531	16.4
133.04924	2.8
133.06474	4.4
133.10165	13.3
135.08067	10.3
135.11639	5.4
137.05980	26.4
139.07571	3.7
141.07014	5.8
143.08574	16.8
145.06444	5.1
145.10104	27.0
147.08046	7.8
147.11705	12.9
149.09628	12.6
151.11150	4.5
155.07402	4.2
155.08533	21.0
156.09296	4.2
157.10155	14.4
158.07280	3.1
159.08041	7.2
159.11693	18.3
161.09608	9.3
161.13277	4.1
163.07587	2.6
163.11179	5.4
165.05473	9.7
165.12766	3.9
167.08559	8.2
168.09186	3.4
169.08772	5.6
169.10051	17.7
171.07965	3.5
171.11713	12.8
173.05937	3.9
173.09608	18.3
173.13304	5.1
175.11192	9.3
177.12793	3.1
179.08556	5.6
181.05011	13.2
181.10052	13.6
183.11685	11.0
184.07346	100.0
185.09616	7.5
185.13225	8.7
187.11179	12.4
189.09152	4.3
191.03401	3.2
192.09387	6.2
193.10155	8.7
193.12201	5.5
194.10846	4.1
195.11673	14.2
197.09641	3.3
197.13264	13.2
199.11186	6.1
199.14761	4.0
201.16292	4.7
203.10666	4.9
205.12273	5.6
206.10985	4.8
207.11703	17.9
208.12376	2.8
209.09633	5.4
209.13297	6.9
211.11150	7.5
211.14844	5.3
213.09146	4.0
213.12715	9.3
215.10741	8.8
217.12263	2.8
219.11725	10.7
219.17409	4.2
221.13280	8.8
222.13701	3.2
223.11185	4.6
223.14867	6.1
224.11894	2.9
225.12724	9.8
227.10623	8.5
234.14052	2.6
235.14828	6.0
237.12794	3.7
237.16348	5.6
239.14342	3.3
241.12177	3.4
245.13301	3.9
247.14821	4.8
249.16409	6.2
251.14427	3.1
251.17928	4.3
253.15868	3.0
259.14679	4.4
261.16507	2.8
263.14517	3.8
263.17902	3.1
265.12149	3.0
279.17261	6.0
281.15628	3.2
295.16727	4.4
303.17361	3.3
309.18741	3.7
321.18253	3.4
325.18018	2.6
333.24274	17.4
351.25232	27.6
369.26212	8.0
387.17722	3.9
389.24640	10.5
399.22067	14.3
401.21085	4.6
417.24307	17.2
419.22073	9.0
423.25446	3.7
431.25644	3.8
433.27298	8.0
435.25327	28.5
437.23358	23.1
441.24344	6.4
449.26910	4.5
450.07730	2.8
451.28381	8.0
453.26984	22.1
455.24103	12.4
459.25424	18.4
465.26288	5.3
467.20929	2.9
469.29758	4.1
477.19559	4.2
477.26367	61.1
478.26862	4.6
483.27594	9.8
487.30228	3.1
495.27466	68.6
496.27808	10.0
513.28589	91.2
514.28613	8.3
531.29346	9.1
548.31921	22.4
549.22839	7.7
549.31958	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
55.01865	2.2
55.05515	7.6
59.04995	1.6
62.33371	1.3
67.05512	13.6
69.03431	4.3
69.07069	2.6
71.04995	1.6
76.37241	1.5
77.03896	1.3
79.05497	9.1
81.03424	3.0
81.07049	6.8
81.26612	1.3
83.04979	19.3
91.05489	20.1
93.07046	26.5
95.04960	7.1
95.08617	25.4
97.06516	2.2
103.05491	1.9
105.07031	20.2
107.04926	2.0
107.08615	13.1
109.06518	6.8
109.10149	2.9
111.04461	10.5
111.08069	8.4
115.05440	3.0
117.07045	5.7
119.08571	18.4
121.06522	14.8
121.10152	5.9
123.08085	9.4
128.06255	4.1
129.07042	6.8
130.07906	1.4
131.08572	11.9
133.06500	4.5
133.10115	12.2
135.08046	12.2
135.11691	2.5
139.07565	5.1
141.06992	3.7
142.07788	4.3
143.08577	12.1
144.09343	2.1
145.06509	3.1
145.10132	11.6
147.08086	6.8
147.11713	6.2
149.09669	5.7
151.07582	1.6
153.06995	2.4
154.07860	1.8
155.08583	12.3
156.09375	4.3
157.10146	13.5
159.08044	7.9
159.11699	8.4
161.09683	9.0
165.07001	3.7
167.08641	3.9
168.09380	2.7
169.10153	14.0
170.10985	1.8
171.08070	3.7
171.11722	8.5
173.09631	11.2
173.13306	3.9
175.07578	5.3
175.11259	4.8
177.09175	3.9
179.08620	6.7
179.10753	2.1
180.09312	2.5
181.10118	9.2
182.10875	2.9
183.08107	2.4
183.11710	9.1
184.07394	3.3
184.08879	1.9
185.09654	8.3
185.13261	4.3
187.11237	4.8
187.14877	2.0
189.09071	2.7
191.08525	1.3
191.10683	1.6
192.09358	3.3
193.10173	11.8
194.10938	4.3
195.08191	2.0
195.10071	2.4
195.11688	12.0
197.09654	4.0
197.13211	8.6
198.10333	1.8
199.07846	1.5
199.11253	5.8
199.14871	2.7
201.09142	1.6
201.12730	1.5
203.10759	3.2
205.10257	3.5
205.12299	1.8
206.10909	4.4
207.11708	9.6
208.12538	2.8
209.09695	1.8
209.13284	12.2
210.10255	1.6
211.11188	7.3
211.14853	5.7
213.09193	2.1
213.12808	3.3
215.10736	2.6
217.10197	1.8
219.11839	4.3
220.12529	2.8
221.09697	2.4
221.13239	8.2
222.10425	2.1
223.11285	3.6
223.14774	6.6
225.12761	3.7
227.10715	3.3
227.14445	2.4
229.12309	2.5
231.11682	2.8
232.12482	2.9
233.09615	1.7
233.13283	7.1
235.11189	4.2
235.14909	6.9
237.12781	5.3
237.16524	2.2
239.14429	4.6
241.12236	2.1
243.11777	2.0
245.13260	2.7
246.14082	2.4
247.11209	2.0
247.14874	5.2
249.12784	3.2
249.16325	4.6
251.14407	5.3
253.12524	2.3
253.15875	2.4
255.13811	3.4
257.13159	1.9
257.15509	2.6
259.14902	3.2
261.12854	2.4
261.16357	3.8
263.14279	2.5
263.18057	2.4
265.12234	1.7
265.15961	2.5
267.13895	2.7
269.15372	2.8
273.16318	3.0
275.14313	2.9
275.18100	2.4
277.15952	4.4
279.13821	2.3
279.17371	2.3
281.15567	1.9
283.16937	2.6
289.15891	3.2
291.17508	3.6
293.15524	1.7
295.17102	1.8
297.18567	1.7
307.16956	2.8
309.18549	2.9
319.16891	3.2
325.18149	3.1
337.18204	2.6
338.19250	1.5
345.18674	2.3
347.19858	2.0
355.19833	1.7
389.24786	1.9
405.24307	2.0
413.24844	3.5
417.24420	6.4
429.23981	3.3
431.25955	5.3
435.25452	9.9
441.24353	5.3
447.25427	5.1
449.27106	5.4
459.25177	12.5
465.26587	6.1
467.28101	1.7
477.26389	18.9
495.27548	16.8
548.32220	100.0
549.23206	6.9
549.32513	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.6
67.05496	4.9
69.07065	4.3
69.29987	6.6
69.30402	3.1
79.05489	2.6
81.07055	4.1
83.04977	5.1
91.05477	4.9
93.07044	6.2
95.08619	10.0
95.09140	1.8
103.05473	2.7
105.07015	8.8
107.08595	6.8
109.10149	4.3
111.08065	2.4
111.55533	1.5
117.06956	2.3
119.08580	7.0
121.06480	1.7
121.10123	3.8
123.08079	2.5
125.09616	1.6
129.07045	2.7
131.04927	4.3
131.08569	6.1
133.10130	5.3
135.08041	2.1
135.11726	2.2
139.07539	1.7
143.08568	4.7
145.10101	7.7
147.11665	3.1
157.10120	8.9
159.11679	4.9
161.09654	3.2
161.13292	2.0
163.11238	2.3
167.25255	1.8
169.10126	2.8
170.10959	1.9
171.11667	5.5
173.09460	1.6
173.13266	4.9
175.11171	2.8
175.14868	1.6
183.11685	2.8
185.09676	2.3
185.13312	4.9
187.11266	2.2
187.14796	4.1
189.12636	2.0
189.16364	2.1
197.13231	3.2
199.14763	4.7
209.13219	2.6
211.14742	2.7
213.12750	2.7
213.16464	1.7
215.14301	3.1
223.14812	1.9
224.10733	1.7
227.17955	4.0
229.15800	2.7
241.19547	4.9
241.82228	1.6
243.64417	1.7
251.17868	3.0
253.19592	1.9
269.19046	7.3
295.20618	3.3
340.13101	2.1
363.26697	2.1
366.14600	2.5
367.15140	2.2
367.26361	9.2
369.24191	3.3
371.14600	3.9
372.14526	1.6
381.28171	3.1
385.16211	2.3
391.26120	8.6
397.16406	3.1
409.27353	100.0
410.27722	9.1
415.17679	5.2
548.23206	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70961	0.2
54.26857	0.3
56.96559	0.5
67.05505	0.3
69.03401	0.3
70.06585	0.3
71.30482	0.4
78.16815	0.2
85.02901	0.3
85.14011	0.3
93.94431	0.3
97.02653	0.4
98.97564	0.7
100.80750	0.3
110.97591	0.4
116.98608	0.3
123.04456	0.4
127.03670	0.3
128.98634	0.4
141.99998	0.3
144.08023	1.5
165.09036	0.3
172.35458	0.3
173.05667	0.4
183.10327	0.3
185.04207	2.1
189.05212	12.7
190.06006	2.0
190.18208	0.3
203.06679	0.3
219.01692	0.5
237.02744	1.3
309.00735	0.4
327.01660	0.6
345.02966	1.0
352.11304	1.4
353.12170	0.7
387.14160	8.8
388.14310	0.4
471.06137	1.4
489.07913	0.5
549.19421	100.0
550.19800	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
63.33159	0.5
63.64098	0.4
71.31520	0.6
71.31890	0.6
74.57754	0.5
75.48673	0.4
82.00315	0.7
95.59920	0.4
103.05487	0.7
119.99068	0.4
131.03529	0.5
131.04904	0.7
143.08270	0.4
165.86827	0.4
237.12495	0.6
249.09294	0.5
253.15610	1.0
259.91031	0.6
296.13773	1.2
297.14563	11.1
311.16165	4.7
312.13382	0.7
312.16595	0.6
316.09259	2.4
325.14124	4.2
327.15656	0.6
329.09961	0.8
355.15143	0.9
356.15924	1.0
383.14465	0.9
384.15570	1.1
438.18787	0.5
454.88684	0.5
472.00919	0.5
478.43210	0.5
504.39087	0.6
521.21606	0.6
531.19861	1.2
549.20929	100.0
550.21289	9.3
557.08624	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
54.03391	0.9
55.01864	1.0
55.05512	87.6
57.07068	1.2
57.74501	0.7
59.04982	2.8
67.05511	4.3
69.04550	2.0
69.07069	1.4
71.30262	1.3
73.06574	0.8
79.05491	3.4
81.05779	0.9
81.07042	5.2
83.01339	4.9
83.04980	99.1
83.08628	1.0
84.05305	1.8
85.06551	1.0
86.09709	0.9
86.16917	0.9
89.14091	0.9
91.05473	3.7
93.07033	3.3
95.04983	1.6
95.08607	3.3
99.08084	1.1
100.57829	1.1
105.03369	1.5
105.07053	4.2
107.04984	0.9
107.08585	2.8
109.06499	1.3
109.10179	1.9
111.08112	1.1
117.06989	1.5
119.08587	3.3
121.06513	1.1
121.10184	1.7
123.08072	2.1
129.07005	1.1
131.08571	2.4
133.10144	2.8
135.11656	1.2
137.05974	1.7
139.07561	1.4
141.06960	1.1
143.08551	1.3
145.06471	1.4
145.10106	1.8
147.11655	1.3
149.09502	0.9
151.03917	3.5
155.08582	0.9
157.06444	0.9
157.10144	2.0
159.08040	2.2
165.07057	1.5
167.07043	1.3
167.08528	1.2
169.10071	1.2
175.03931	2.2
175.07558	1.5
176.06297	0.9
177.09152	1.2
178.07753	1.0
179.08519	2.2
181.10168	1.2
183.08081	1.2
184.07353	1.3
187.07437	1.1
189.06941	1.7
190.07780	1.6
191.08536	1.7
192.09384	1.4
193.06407	1.0
193.10141	2.0
195.07988	1.2
197.13252	1.5
199.03972	1.5
202.07738	1.3
203.03514	1.2
203.07004	1.3
203.08635	3.3
203.26112	0.9
204.09309	1.7
205.06621	1.4
205.10143	2.7
206.10883	1.1
207.08090	1.8
207.11700	1.6
209.09648	1.5
213.05453	1.6
215.08641	2.3
216.09430	1.9
217.08397	1.7
217.10271	2.2
218.07278	1.8
219.08061	2.4
219.11656	2.0
220.08784	1.1
221.09547	1.7
221.13127	1.5
223.07605	1.2
226.06197	2.2
227.06982	1.5
229.10178	2.0
230.10875	1.5
231.07980	3.2
231.11746	2.2
232.08815	3.0
233.05850	1.0
233.09558	7.8
233.13277	1.5
234.06786	1.6
234.10295	1.3
235.07520	3.6
235.11121	1.4
237.05539	1.3
238.06117	0.9
240.07683	1.8
241.08611	3.2
242.10910	1.2
243.08167	1.3
244.08760	1.0
244.12515	2.2
245.09694	4.9
245.13354	1.1
246.10376	1.6
247.07513	4.4
247.11200	4.1
247.14771	1.6
248.08388	1.2
249.05496	3.3
249.09074	2.6
249.12799	1.3
250.06216	2.1
251.07054	2.6
252.07648	1.3
253.08424	5.6
257.09711	3.2
258.10352	1.3
259.07559	2.2
259.11145	2.7
260.08136	1.6
260.11856	1.8
261.09122	6.6
261.12607	1.1
262.06244	1.3
262.09683	1.1
263.07031	20.0
263.10397	1.8
264.04507	1.0
264.07782	5.1
265.05331	2.0
265.08597	11.3
266.05826	1.0
266.09366	1.1
267.10004	1.5
269.07968	1.2
270.10492	1.4
271.07568	1.3
271.11148	1.2
272.08524	1.9
272.11783	2.5
273.05789	1.3
273.09088	4.4
274.06088	1.7
274.09860	1.6
275.07031	5.5
275.10648	5.3
275.13904	1.3
276.07800	11.6
277.05078	2.4
277.08566	11.3
277.11984	2.1
278.05927	1.0
278.09314	2.6
279.06558	2.4
279.10110	2.3
281.08032	2.4
285.09116	3.8
285.12375	1.6
286.09885	1.3
287.06970	4.5
287.10657	4.4
287.14182	2.4
288.07529	2.4
288.11047	1.5
289.08533	12.9
290.09378	11.0
290.12405	1.6
291.10132	100.0
292.07437	2.6
292.10812	27.0
293.04752	1.1
293.08133	2.5
293.11621	2.4
294.05240	1.2
294.08786	1.2
297.12607	1.7
299.10687	2.7
300.08096	1.2
300.11429	3.7
301.08563	7.3
301.11935	2.2
302.09387	4.7
303.06488	4.9
303.10114	12.4
303.13748	4.0
304.07452	1.5
304.10785	4.5
305.08029	8.0
305.11697	4.8
306.08859	2.3
306.12158	1.3
307.06219	1.9
307.09616	7.5
307.13293	4.1
308.06635	1.1
308.09778	1.1
313.08551	4.5
313.12201	3.0
314.09207	2.6
315.10080	7.6
315.13876	4.4
316.07208	3.0
316.10797	4.0
317.08051	5.8
317.11710	17.9
317.15213	1.0
318.08987	2.8
318.12396	19.8
319.09540	6.3
319.13211	13.5
320.10382	1.9
321.11200	2.6
322.11972	23.5
323.12524	2.4
325.12247	1.2
327.10056	2.4
328.10873	6.2
329.08038	3.6
329.11670	3.1
330.08817	2.9
330.12540	4.1
331.05930	1.5
331.09604	10.0
331.13379	6.2
332.10278	2.4
332.13995	1.3
333.07480	3.7
333.11185	13.5
333.14966	2.2
334.12054	1.6
335.09058	3.3
335.12772	11.8
341.08026	1.7
341.11761	3.9
342.08850	1.2
343.09610	11.4
343.13348	10.2
344.10303	4.0
344.13995	1.2
345.07596	1.5
345.11084	7.5
345.14911	10.3
346.08301	2.1
346.11890	3.2
346.15543	1.5
347.09106	5.1
347.12704	2.0
349.10501	2.2
349.14307	15.3
355.13092	3.5
356.10220	2.9
356.14032	1.8
357.11200	5.4
358.11932	15.2
358.16019	1.5
359.08908	1.2
359.12677	4.8
361.10574	1.7
361.14389	13.7
362.14951	2.6
363.12134	2.3
363.16165	1.1
371.12726	13.1
372.13351	2.8
373.14346	53.8
374.15103	4.4
375.11975	1.4
375.16037	4.0
377.10065	3.6
377.13986	2.0
377.17834	1.7
387.15970	3.2
389.13828	24.5
390.14258	3.2
391.15289	2.4
393.17133	1.7
403.15332	8.3
405.17120	25.7
406.17386	2.1
417.13281	64.2
418.13489	5.0
421.16595	8.5
431.14844	3.1
445.31131	1.2
449.14706	5.3
449.20316	50.7
450.20596	5.4
505.22409	5.2
549.37952	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.1
55.01861	4.5
55.05507	4.9
57.03431	5.7
58.11509	2.5
61.02930	5.5
67.05493	9.4
69.03429	17.3
69.07071	3.0
69.18998	2.5
69.76240	12.8
71.04991	17.8
72.09125	2.3
73.02902	5.6
79.05489	10.3
81.07054	36.1
83.04954	5.0
85.02905	42.7
85.06543	4.8
91.03993	3.2
91.05477	22.8
93.07042	35.7
95.04973	3.7
95.08584	9.3
97.02895	26.4
97.06535	2.8
99.04456	37.2
105.07024	62.0
106.07299	2.8
107.04956	5.4
107.08603	20.7
109.02847	4.2
109.06502	11.3
111.08068	18.0
113.06004	3.1
115.93656	2.5
117.07070	3.2
119.04978	4.2
119.08556	11.6
121.02859	3.6
121.06469	14.6
123.04441	4.5
123.08077	2.6
125.05997	4.8
127.03915	11.4
129.07050	3.1
131.08504	5.4
133.06488	8.7
133.10126	80.9
135.08046	3.5
135.11641	4.7
137.05968	17.5
139.03880	4.4
143.08528	15.2
145.04951	16.2
145.05954	2.4
145.10117	9.8
146.07294	5.4
147.11665	7.3
149.09605	3.8
151.07623	4.6
151.11151	7.3
159.11745	2.7
160.07536	6.0
161.09608	87.8
162.09967	4.4
163.06015	8.4
163.11214	16.2
165.09117	3.2
165.12775	6.3
167.07027	5.4
171.08023	5.7
179.10651	35.9
189.09067	29.7
207.10156	20.2
207.13783	11.7
225.11197	100.0
226.11510	3.2
349.03381	2.6
417.11154	3.0
431.22037	3.8
459.21729	4.9
477.22314	7.2
495.23444	4.4
529.02802	2.8
549.18927	4.8
549.26990	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63513	0.3
56.96574	0.7
71.30183	0.6
79.05498	0.4
81.07072	0.4
83.04975	1.0
91.05468	0.5
93.07059	0.8
95.08599	0.5
105.07059	0.4
107.08563	0.4
108.55807	0.4
109.10114	0.4
126.19949	0.3
129.13338	0.3
131.08556	0.4
140.92053	0.4
156.82524	0.4
213.55928	0.4
215.88281	0.3
281.22287	0.4
293.88922	0.4
311.00507	0.4
325.07004	0.4
487.22153	0.7
505.23294	2.3
531.21307	0.6
549.22437	100.0
550.22815	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.0
63.85569	0.8
65.14703	0.7
65.57384	0.8
67.05496	2.1
68.33121	0.7
69.07080	1.8
69.97658	3.0
79.05492	1.5
81.03436	1.5
81.07056	2.4
83.05009	1.6
85.02901	1.1
86.09695	3.0
91.05489	1.6
93.07049	1.4
95.04949	1.0
95.08638	1.6
97.06536	1.1
98.22691	1.0
101.74869	0.7
102.09202	0.9
104.10744	1.6
105.07044	1.9
107.08567	1.4
111.08134	0.9
119.08589	2.0
121.10100	1.0
125.00001	1.7
131.08649	1.0
133.10124	1.4
135.11642	1.1
146.26561	0.9
147.11674	1.2
157.10092	1.4
158.10509	0.9
184.07344	6.2
207.11662	1.0
268.16037	1.2
283.13055	0.9
325.30069	0.9
364.52551	0.8
394.89600	0.8
438.50519	0.9
454.26181	1.3
472.27679	1.8
478.27362	1.1
531.22955	2.1
549.22632	100.0
550.22961	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.233
Annotation	3,7-Dihydroxy-4,5-dimethoxy-8-prenylflavan 7-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.45689	0.1
53.03927	0.3
55.01855	0.4
57.03414	0.5
59.04985	0.1
61.02608	0.1
61.02921	0.6
69.03068	0.2
69.03426	2.6
69.07045	0.5
69.40659	0.6
71.04971	0.2
73.02897	0.3
75.04439	0.2
79.05479	0.3
81.03407	1.0
81.07055	0.1
84.27368	0.1
85.02901	4.0
85.03417	0.2
87.04447	0.3
91.03934	0.3
91.05454	0.3
95.04961	0.2
97.02350	0.2
97.02895	1.6
98.23306	0.2
99.04460	0.3
101.05998	0.1
105.07024	0.3
107.04948	0.3
109.02872	0.7
109.06517	0.3
115.05393	0.1
116.06218	0.2
117.06958	0.2
119.08572	0.2
121.06495	0.1
123.04430	0.2
124.05185	0.3
125.05970	0.2
127.03923	0.9
129.07025	0.1
130.07744	0.2
131.08569	0.2
133.06496	0.2
135.07993	0.1
137.06032	0.2
137.62018	0.1
139.05473	0.1
139.07538	1.4
141.06961	0.3
143.08568	0.1
144.05688	0.2
145.04924	0.3
145.06482	0.3
147.08104	0.1
152.06224	0.2
153.05469	0.1
153.07004	0.3
155.04890	0.1
155.08551	0.2
157.06470	0.2
158.07214	0.2
159.08055	0.9
160.08723	0.2
161.06010	0.1
161.09584	0.1
165.07024	0.6
166.07782	0.2
167.07037	2.4
167.08507	0.3
168.05702	0.6
168.07544	0.1
169.06451	0.2
171.07962	0.2
172.05124	0.2
173.05962	0.4
173.09642	0.5
175.07518	0.4
176.08188	0.1
178.07858	0.1
179.08543	0.4
181.06424	0.6
181.08618	0.1
181.10031	0.2
182.07205	0.8
183.04385	0.2
183.08052	1.0
184.05196	0.2
185.05943	0.5
187.07521	0.8
188.08336	0.5
189.05473	0.2
189.09096	0.2
190.06206	0.1
190.07784	0.1
191.07043	0.1
191.08684	0.2
191.10689	0.5
192.09338	0.3
193.06503	0.3
193.10162	0.2
194.07288	0.2
195.04402	0.1
195.08034	0.6
196.05203	0.9
196.08855	0.4
197.05983	1.0
197.09598	0.7
198.06735	0.5
199.07507	0.7
200.04675	0.3
200.08269	0.1
201.05447	0.2
201.09119	0.5
202.07983	0.1
202.09915	0.3
203.08598	0.2
204.07764	0.3
204.09427	0.1
205.06511	0.3
205.08592	0.4
205.10303	0.2
205.12157	0.2
206.07323	0.2
206.10863	0.1
207.08012	0.5
207.11734	0.2
208.05266	0.3
208.08896	0.2
209.05927	0.5
209.09608	0.8
210.06752	1.8
210.10237	0.2
211.04042	0.2
211.07538	4.0
212.04744	0.2
212.08228	0.5
213.05446	1.0
213.09100	0.4
214.06154	0.5
214.09961	0.2
215.07013	0.9
217.10207	0.2
219.08014	0.7
219.10156	1.0
220.08810	0.9
220.10896	0.3
221.05934	0.4
221.09564	0.7
222.06671	0.4
222.10362	0.2
223.03917	0.2
223.07584	0.7
223.11151	0.3
224.04715	0.7
224.08266	1.0
224.12003	0.2
225.05635	0.9
225.09071	3.5
226.06259	1.0
226.09845	0.3
227.03528	0.1
227.07045	2.2
227.10532	0.3
228.04166	0.4
228.07741	1.2
229.04947	1.8
229.08603	0.4
230.05391	0.2
231.08141	0.3
232.08730	0.3
233.05931	0.2
233.09593	0.4
233.11836	0.3
234.06715	0.2
234.10355	0.5
234.12523	0.2
235.07504	0.6
235.11118	1.6
236.08258	0.4
236.11903	0.3
237.05534	0.9
237.09073	2.4
237.12801	0.2
238.06244	1.8
238.09724	0.5
239.07030	4.0
239.10629	0.7
240.04092	0.1
240.07787	0.9
241.04944	2.0
241.08563	0.9
241.12154	0.5
242.05641	0.7
242.09325	0.8
243.06522	2.6
243.10185	0.5
244.07123	0.6
245.04463	0.3
245.09776	0.2
246.10382	0.1
247.07507	0.7
247.11296	0.2
248.08308	1.7
249.09090	2.6
249.11937	0.2
249.12804	0.2
250.06306	0.2
250.09830	0.6
251.07074	1.3
251.10649	1.3
252.04192	0.5
252.07791	1.2
252.11452	1.2
253.04961	1.3
253.08598	5.2
253.12126	0.7
254.05774	0.7
254.09259	1.2
255.06529	2.2
255.10239	0.6
256.03644	0.3
256.07288	3.1
256.11041	0.2
257.04498	0.4
257.08066	1.9
257.11383	0.2
258.05157	0.5
258.08752	0.6
259.05942	1.2
259.09756	0.2
260.06870	0.5
261.09302	0.5
262.09845	1.0
263.07114	0.5
263.10660	3.8
264.07825	0.4
264.11411	1.4
265.08594	4.9
265.12201	1.0
266.05768	0.7
266.09341	1.7
266.12854	0.3
267.06512	5.4
267.10080	1.2
267.13434	0.8
268.07257	1.5
268.10605	0.2
269.04886	0.8
269.08044	1.1
269.11719	1.3
270.05267	0.4
270.08850	2.1
271.06021	2.3
271.09598	2.7
271.13016	0.1
271.13806	0.2
272.06808	1.7
272.10092	0.2
273.07578	1.2
274.04718	0.1
274.08115	0.2
275.09131	0.6
275.99966	0.1
276.07877	0.6
277.08575	2.1
277.12195	0.7
278.09323	0.7
278.12756	0.3
279.06561	0.8
279.10172	2.1
280.07339	0.9
280.10928	4.3
281.08084	4.9
281.11691	3.1
282.08777	1.8
282.12283	0.4
283.05991	1.3
283.09552	0.8
283.12704	0.2
284.06796	3.8
284.10220	0.4
284.13605	0.2
285.07568	4.5
285.11194	2.2
286.08456	0.7
287.05539	0.9
287.09116	2.2
287.12234	0.1
288.06265	1.1
288.09793	0.4
289.07001	2.0
290.09451	0.3
291.10123	3.3
292.07434	0.2
292.10892	2.2
293.08069	2.9
293.11670	1.7
294.08780	1.3
294.12408	1.0
295.09720	1.3
295.13226	9.4
296.06946	0.2
296.10376	0.3
296.13940	1.4
297.07556	1.1
297.11203	3.0
297.14862	0.4
298.08405	3.1
298.11826	0.6
299.09134	8.1
299.12521	0.4
300.09824	1.7
301.07071	1.3
301.10684	0.6
302.07813	1.7
303.08594	4.5
304.09375	8.2
305.11914	0.3
306.12476	0.4
307.09671	1.4
307.12958	0.2
308.10410	3.8
309.11249	5.9
309.14819	1.0
310.08255	0.5
310.11859	0.9
311.09088	1.0
311.12714	0.5
312.09915	0.4
312.13452	2.5
313.10706	9.2
313.14032	0.5
314.11307	1.6
315.08618	1.0
315.12076	0.2
316.09427	2.4
316.13062	0.2
317.10162	5.6
318.10941	7.5
319.11703	2.6
321.11230	0.2
322.11978	1.0
323.12753	14.5
324.13464	4.2
325.10675	3.8
325.14346	1.2
326.11417	0.7
326.14847	0.2
327.12250	0.9
327.15909	3.7
328.16217	0.2
329.10242	0.9
330.10904	1.1
331.11743	8.8
332.12381	1.1
337.14310	0.5
338.14993	0.6
339.12152	0.8
339.15729	0.2
340.13037	3.0
341.09598	0.2
341.13791	3.8
341.17300	0.2
342.14297	0.3
343.11823	0.7
344.12457	0.9
345.13330	8.5
346.13663	0.5
354.14365	0.2
355.15375	38.7
356.16077	11.8
357.13312	1.9
357.16791	0.4
358.14059	0.9
359.14667	0.6
369.16946	0.4
372.15686	3.6
387.17975	100.0
388.18344	6.4
425.23428	0.1
438.23538	0.3
549.15741	0.2
549.23322	3.1
550.23468	0.3
552.78284	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.6
53.89458	5.5
57.03424	6.1
65.72376	5.2
67.05500	17.3
69.03432	28.7
69.07050	9.7
70.65040	10.0
71.04994	12.4
73.02915	8.4
77.79720	6.4
79.05493	28.7
81.07056	78.1
83.04982	10.0
85.02911	23.1
91.05482	35.0
93.07051	31.2
95.04957	22.6
95.08605	33.2
97.02901	29.8
97.06515	13.8
97.24849	5.4
97.43346	5.0
99.04449	18.7
105.07019	41.6
107.05006	7.9
107.08584	27.4
109.06524	54.3
109.10172	12.9
111.08085	11.8
112.42976	5.7
115.03928	7.6
117.07010	16.4
119.08585	44.0
121.06521	14.3
121.10149	22.9
123.04417	6.5
123.08070	35.2
125.05975	12.9
127.03902	8.0
128.06242	8.4
129.06985	19.1
131.08551	30.5
133.04932	8.5
133.06497	15.4
133.10129	33.1
135.08047	17.3
135.11716	7.7
137.05977	71.9
137.09641	6.6
139.03891	7.9
139.07526	11.0
141.06976	12.6
143.08525	28.3
145.06500	17.4
145.10124	33.5
147.08028	24.2
147.11690	13.3
149.05980	9.9
149.09612	8.6
151.03909	9.3
151.07506	8.7
153.05461	7.1
155.08548	21.5
156.09189	6.4
157.06451	8.8
157.10144	27.3
159.08080	17.9
159.11719	18.0
161.05940	6.2
161.09607	20.0
163.11156	6.5
165.05560	41.8
165.06871	11.2
167.08557	17.1
168.09225	5.9
169.10120	26.0
171.07912	10.7
171.11688	21.9
172.06644	6.5
173.06030	5.4
173.09619	22.7
173.13286	9.3
175.07539	7.5
175.11263	15.2
177.09079	8.8
179.08536	13.2
181.04961	78.8
181.10132	18.3
183.08075	7.5
183.11693	20.4
185.09625	19.9
185.13246	12.6
187.07585	10.5
187.11214	14.1
189.09160	18.2
189.12682	8.3
191.10611	6.4
192.09315	9.7
193.10091	23.0
195.11693	18.3
197.09698	13.6
197.13272	10.2
198.10109	5.4
199.11130	13.3
201.09000	14.8
201.12695	11.3
201.16338	12.6
202.16733	7.9
203.10661	7.9
203.18005	9.7
205.10182	9.7
205.12079	9.2
206.10968	6.4
207.11707	16.0
209.09676	8.9
209.13235	16.1
211.07591	8.7
211.11070	9.5
219.17523	6.7
220.12181	5.7
221.09717	6.8
221.13240	17.5
223.11250	13.4
223.14827	15.7
225.09125	7.6
231.11736	6.4
233.13225	14.9
234.10295	8.2
235.11142	13.6
235.14716	6.9
236.12024	7.2
237.09277	8.6
237.12721	13.8
237.16402	13.2
241.12296	8.4
243.11763	6.9
245.09578	6.9
246.13986	7.2
247.11189	13.4
247.14879	10.2
248.11812	10.5
249.16394	7.3
251.14282	20.8
253.08505	10.2
253.15807	9.5
254.57478	6.9
261.16223	6.8
263.10532	8.9
263.14276	10.4
265.16003	9.4
267.13712	8.4
275.17792	8.2
280.17755	7.0
281.11771	7.9
281.18866	10.1
283.16739	6.6
293.18881	11.3
295.13333	13.3
298.08093	6.1
299.09189	9.9
304.09402	8.2
309.18451	8.2
311.19940	19.5
313.10767	10.8
315.12344	6.6
317.10150	8.4
323.12830	10.9
323.16370	12.2
331.11807	14.4
353.21115	7.5
355.15482	37.7
356.16022	8.8
387.18005	88.3
387.22305	13.4
391.12103	6.9
397.11517	6.0
401.17712	8.0
407.22272	20.8
419.17944	13.3
419.22784	9.3
424.22040	36.4
425.23294	13.8
435.21652	25.3
436.22107	9.5
437.19305	100.0
438.45837	5.8
441.18454	6.6
453.22443	37.8
455.19690	9.7
455.24918	9.0
467.20438	9.5
469.26013	8.6
471.23502	17.7
472.27896	57.6
473.24979	30.3
484.24094	7.1
489.24655	42.1
495.23471	18.0
505.27783	12.8
513.24493	23.1
531.25397	21.3
549.22992	23.5
549.30548	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
57.07061	0.3
65.03942	2.5
67.05515	2.0
68.56866	0.3
69.03439	1.7
69.07040	0.5
69.39339	1.7
78.13201	0.3
79.05499	1.7
81.03425	1.0
81.07057	1.0
82.04205	1.7
83.04974	0.4
83.97302	0.2
85.02907	1.7
91.05510	0.4
93.03389	1.7
93.07030	0.3
94.04151	0.4
95.04978	1.2
95.08636	0.5
97.02897	0.5
97.06535	1.3
99.04458	0.4
105.07046	0.5
108.02058	0.3
109.02885	0.6
109.06532	1.5
109.10190	0.3
110.03679	1.2
111.04450	0.7
119.08581	0.4
120.02087	0.7
121.06461	0.4
122.03664	0.7
125.06000	3.3
127.03916	0.9
129.06973	0.4
131.08534	0.4
135.08025	0.5
137.02351	0.8
137.05954	0.8
138.03116	3.5
139.07520	1.0
145.10167	0.5
151.03902	0.5
151.07545	1.0
153.05516	0.6
155.07040	0.8
155.08598	0.3
159.08170	0.5
161.09700	0.6
165.05478	25.3
165.09122	0.6
166.02632	1.1
166.05827	0.8
170.02057	1.1
171.05099	0.5
171.06534	9.1
173.09596	0.6
174.10393	0.4
175.07411	0.3
181.04959	100.0
182.05283	2.8
184.07359	0.9
187.07471	0.3
189.09091	1.8
191.03415	1.0
192.87102	0.3
199.06024	0.4
205.12302	1.8
207.10045	0.4
217.08652	0.7
218.09312	0.4
221.11638	2.7
233.11647	2.5
249.11241	5.3
250.11676	0.3
343.07938	0.3
361.11301	0.8
369.16959	0.4
387.18018	8.9
388.18253	0.5
438.23602	1.5
479.20593	0.4
497.21155	0.5
515.22980	0.7
549.23181	4.9
549.31403	0.4
550.22821	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72100	1.9
78.71172	1.7
89.76601	2.1
95.04959	3.0
98.19976	2.2
103.05474	71.1
104.05806	2.6
117.06999	2.4
131.04930	100.0
132.05254	2.8
134.59990	1.7
152.12779	2.1
199.64641	1.8
223.11205	2.0
236.08467	1.9
239.06947	2.5
241.08659	2.5
243.06509	4.7
249.09039	2.5
263.10815	3.0
266.08942	2.1
267.06644	5.4
267.10355	2.5
269.08093	2.5
279.10229	6.0
280.10895	4.6
281.08206	3.3
282.08969	3.8
283.09439	2.0
284.10361	2.1
285.07837	2.4
293.08228	3.1
295.13260	7.0
296.10504	4.9
298.08347	3.9
299.09213	4.5
301.07214	2.8
301.10776	4.7
303.08725	3.2
306.12424	4.4
309.11279	4.7
309.14850	6.0
310.12289	3.1
310.15405	2.7
311.12692	2.9
313.10608	9.3
315.08636	2.2
316.09457	2.4
317.10037	4.5
318.10916	9.7
322.12024	4.0
323.12762	17.7
324.13440	2.6
327.12354	5.8
328.12988	5.6
331.11844	2.8
332.12424	11.9
333.13171	5.1
337.14362	19.3
338.14960	11.5
339.12430	2.7
339.15906	4.5
341.17645	7.0
345.13330	8.0
354.14597	2.7
355.15454	12.4
359.14835	8.2
369.16986	26.2
370.17709	28.3
386.17331	5.5
395.14731	2.8
401.19592	57.4
402.20053	4.7
462.17087	4.3
467.18475	2.4
475.17520	7.9
499.21198	4.9
500.21960	2.6
531.23877	45.6
532.24347	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08298	26.6
69.08712	10.1
76.11491	3.7
79.79429	4.3
97.70714	3.9
98.23335	9.2
103.05473	87.1
131.04930	100.0
131.05923	4.9
132.05286	3.6
132.64474	3.6
173.93057	3.9
195.63966	4.1
197.06061	4.3
229.08359	4.2
236.65279	3.9
257.08136	3.5
264.11520	4.4
279.10260	6.4
280.10965	6.1
281.08145	6.0
282.09018	5.9
286.08313	4.5
295.13300	9.3
296.10385	5.9
299.09152	7.5
308.10406	5.6
313.10709	9.6
314.11136	6.5
317.10117	10.8
318.10977	12.6
322.12045	5.1
323.12946	17.6
324.13416	5.1
327.12378	11.0
331.11661	4.3
332.12463	16.5
333.13177	5.7
337.14371	27.7
338.14865	12.2
339.12250	9.1
339.15900	5.2
341.17706	7.2
345.13245	7.5
355.15366	12.8
359.14911	7.2
369.16815	33.7
370.17825	30.3
386.16989	5.4
401.19461	48.9
402.20248	6.4
462.17020	5.9
475.17575	6.2
480.86331	3.8
485.18906	4.1
499.21088	7.3
531.23822	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	4.2
55.01866	1.9
55.05510	1.6
65.03939	1.7
67.05511	4.6
69.03425	4.3
69.07059	0.9
73.02930	1.1
79.05492	10.9
81.03419	1.7
81.07059	28.6
82.07425	0.6
83.05006	4.0
85.02921	3.4
85.06561	0.8
91.05481	13.0
91.06004	1.1
93.07041	8.3
95.04973	4.0
95.08630	3.9
97.02890	5.1
97.06527	1.7
97.56324	0.6
99.04478	1.5
104.00868	0.6
105.07046	9.2
107.04951	2.1
107.08609	4.1
109.02892	7.3
109.05785	0.8
109.06525	15.2
109.10149	1.6
111.04452	2.5
111.08095	0.6
113.02372	2.1
115.05480	2.6
116.06255	1.1
117.07004	4.8
119.04929	0.9
119.08582	6.3
120.68999	0.7
121.06524	6.1
121.10152	1.7
122.39057	0.6
123.04456	2.7
123.08110	0.9
125.05995	1.0
127.03938	0.9
128.06227	4.9
129.07024	6.6
131.04861	1.1
131.08591	6.7
133.06488	2.7
133.10121	2.3
135.04494	0.7
135.08073	6.4
137.05980	28.6
138.06314	0.8
139.07556	0.8
141.07004	4.3
142.07796	3.4
143.08566	5.7
145.06534	3.5
145.10143	3.6
146.10364	0.7
147.04494	0.6
147.08032	5.6
147.11685	1.8
149.05984	1.8
149.09622	2.3
151.07567	0.9
152.06313	1.0
153.07053	3.4
154.07777	3.6
155.08571	8.0
156.09329	2.8
157.06488	1.8
157.10153	3.9
158.07304	1.4
159.08049	9.5
159.11742	2.1
160.08780	0.7
161.05998	1.6
161.09657	2.5
161.13280	0.7
163.03906	0.8
165.06943	4.6
166.07780	1.8
167.08560	5.7
168.09335	1.1
169.06444	1.3
169.10126	10.3
170.07294	1.1
170.10883	0.9
171.08066	3.7
171.11754	1.9
172.08846	1.9
173.09642	3.0
175.07513	3.7
177.09120	2.9
178.07736	3.3
179.08553	7.2
180.09338	2.2
181.06558	1.7
181.10107	4.5
182.07356	2.0
182.10814	1.0
183.08034	4.8
183.11731	3.0
184.08850	1.0
185.09654	5.3
185.13307	0.9
186.10217	0.7
187.07568	1.7
187.11198	3.0
189.07060	1.1
189.09174	1.1
190.07741	1.4
191.08603	2.6
192.09303	6.6
193.10117	9.0
194.10896	2.8
195.08073	5.4
195.11699	4.8
196.08890	3.3
197.09624	9.6
197.13188	1.2
198.10268	0.8
199.07536	1.8
199.11189	2.8
201.05446	0.9
201.09058	1.6
201.16373	1.0
202.07779	2.1
203.06970	0.8
203.08606	3.6
203.10349	0.7
203.17989	1.4
204.09367	1.9
205.10152	6.4
206.10930	4.9
207.08151	1.4
207.11702	13.9
208.08875	2.0
208.12422	2.7
209.09630	6.2
209.13197	3.3
210.10423	2.0
210.95514	0.7
211.07672	1.5
211.11177	4.6
213.09120	2.6
213.12697	1.6
215.08615	2.3
215.10678	3.8
216.09297	3.0
217.10225	4.8
218.07397	1.2
218.10927	4.5
219.08185	3.2
219.11703	7.5
219.17516	0.9
220.08832	2.3
220.12439	2.5
221.09651	4.2
221.13191	4.6
222.10406	1.8
223.11153	4.7
223.14847	1.4
225.09151	1.8
225.12750	3.2
226.07727	0.7
227.08725	0.8
227.10692	3.0
228.09424	1.7
229.10184	5.4
230.11032	4.8
231.08051	1.6
231.11742	7.0
232.08824	2.8
232.12427	2.5
233.09702	5.7
233.13185	5.9
234.10410	3.3
234.13956	1.6
235.11223	8.1
235.14777	1.6
236.11908	1.9
237.09138	1.2
237.12738	2.3
237.16325	0.9
239.08505	1.3
239.10754	2.2
241.10165	1.0
241.12334	0.9
242.10883	2.7
243.08047	1.1
243.11710	7.0
244.08830	2.2
244.12358	4.1
245.09595	4.6
245.13263	7.7
246.10381	3.8
246.14030	2.1
247.11203	6.3
247.14882	2.8
248.11940	2.3
249.09109	0.8
249.12802	4.6
251.10736	2.5
251.14334	1.5
252.11499	0.9
253.10138	1.3
253.12260	3.7
254.10832	1.4
254.13206	1.3
255.11679	3.1
255.14011	1.3
256.08878	0.7
256.12579	3.2
257.09500	1.7
257.13498	6.2
258.10400	4.2
258.14081	3.8
259.11276	10.2
259.14667	4.8
260.11966	5.3
260.15582	2.6
261.09280	1.2
261.12772	9.2
261.15634	1.2
262.13455	1.2
263.10876	1.7
263.14291	2.4
265.12387	1.1
265.97507	0.7
267.11572	1.9
267.14011	6.0
268.09088	0.7
268.12564	2.2
269.09567	1.3
269.13290	3.2
270.10648	1.4
270.13965	1.7
271.11160	4.6
271.14697	3.4
272.11954	3.6
272.15536	2.7
273.12750	11.7
273.16370	3.1
274.10287	1.0
274.13528	4.7
274.16879	1.0
275.10666	1.9
275.14319	6.0
275.17191	1.0
276.11578	1.8
276.14978	1.3
277.09427	0.6
277.12335	3.1
277.15683	1.2
281.13165	1.1
282.10709	0.8
282.14108	1.3
283.11179	2.2
283.14832	3.0
284.11938	2.5
284.15335	1.6
285.12732	7.7
285.16367	2.0
286.13525	4.6
286.16556	0.8
287.10779	2.2
287.14337	6.8
287.18015	1.8
288.11783	1.5
288.15112	4.9
289.12256	3.3
289.15854	3.9
290.12994	1.1
290.16544	1.3
291.13757	3.5
291.17105	1.7
293.11926	1.1
295.11145	0.9
295.14929	0.9
296.12070	1.5
297.12756	3.4
297.16159	1.5
298.10370	1.1
298.13440	4.3
299.10855	1.2
299.14325	3.9
299.17471	1.1
300.11795	1.1
300.15131	4.1
301.12234	4.6
301.15854	6.0
302.13086	1.3
302.16452	1.6
303.13824	3.1
303.17450	1.9
305.11703	1.2
305.15314	2.4
309.12375	1.0
310.13583	1.6
311.14124	3.5
312.15121	2.7
313.12286	1.7
313.15863	5.7
314.13065	0.9
314.16525	1.0
315.13718	3.9
315.17477	6.7
316.14697	4.0
317.12210	1.0
317.15378	5.0
317.19012	2.5
318.16132	1.2
319.13300	3.5
319.17023	2.2
321.15118	0.9
323.14127	1.4
325.12277	1.1
325.15756	2.6
326.16663	1.9
327.13843	1.5
327.17484	2.1
328.14575	3.1
328.17920	1.7
329.15234	1.6
329.18759	1.3
330.16141	1.0
331.16818	2.7
332.17929	0.9
333.14841	2.3
333.18518	3.6
334.15906	3.2
335.16299	2.3
337.15436	1.0
339.13733	1.3
341.15240	1.4
343.16943	7.3
344.17511	0.8
345.18686	3.2
346.15619	0.7
348.17007	0.8
349.23453	0.8
350.16647	0.9
351.25186	0.9
353.15240	1.2
354.15976	0.8
355.16840	2.8
356.17395	1.1
357.14911	2.3
358.15665	0.9
359.16330	2.7
361.17999	14.6
362.18185	1.1
363.19632	3.2
367.24353	1.0
369.14725	0.9
371.16254	1.9
372.17178	2.5
373.17966	3.4
375.19208	1.1
379.19226	2.9
389.18567	1.3
391.19058	2.9
393.18564	1.8
395.16507	0.8
397.21771	1.2
399.19482	0.8
403.18106	0.8
407.20053	2.2
409.17038	1.5
410.18826	1.0
411.19733	3.8
420.17322	0.8
421.20114	2.4
425.21069	7.7
427.22681	2.4
429.21017	1.2
435.19440	3.2
443.22180	5.2
453.20651	12.8
454.21164	0.9
456.19299	0.8
461.23654	1.4
471.21692	21.2
472.22174	1.0
485.22998	3.1
487.24625	1.8
489.22745	23.0
490.23297	2.0
503.24374	3.1
505.25507	3.2
513.22784	6.8
531.15985	1.4
531.23767	17.8
532.24139	1.7
549.24695	100.0
550.25134	8.3
569.09845	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01847	3.5
55.05521	15.9
63.55531	2.5
65.62985	2.7
67.05499	9.6
69.03444	5.2
69.07076	4.0
70.44157	7.1
70.44519	6.1
71.04986	9.7
79.05497	12.9
81.07059	19.7
82.06585	4.7
83.08629	14.1
89.71394	3.4
91.05469	24.7
93.07037	17.8
95.04976	15.2
95.08622	10.8
97.02918	6.5
97.06542	7.6
98.09688	3.1
99.04456	17.2
100.07628	6.2
100.11255	33.3
102.92470	2.9
103.05444	2.8
105.07027	19.0
107.04973	4.9
107.08604	10.5
109.06516	27.3
109.10138	6.9
111.04444	10.6
111.08082	3.8
117.07032	12.3
119.05029	4.3
119.08595	22.5
121.06467	16.1
121.10159	11.8
123.08065	13.4
125.06001	5.1
127.03859	7.3
128.06215	5.4
128.07065	3.9
129.07030	13.0
131.04855	4.3
131.08575	13.2
133.06474	5.9
133.10141	12.0
135.08044	14.2
135.11688	3.4
137.06012	23.3
137.09596	6.1
141.06973	7.3
142.07751	3.3
143.08556	22.2
145.06514	8.3
145.10101	17.5
147.04370	4.6
147.08063	13.9
147.11691	14.5
151.07541	3.2
153.05583	4.2
153.07018	3.9
154.07809	3.6
155.08606	16.6
157.06554	4.5
157.10107	16.7
158.31096	2.9
159.08043	13.4
159.11720	9.3
161.06071	3.7
161.09641	11.6
161.13274	7.1
165.05484	4.1
165.07007	6.0
166.07765	5.8
166.15834	3.1
167.07150	5.3
167.08589	11.5
169.10149	25.4
171.08008	5.1
171.11725	30.3
173.09679	10.7
173.13255	16.8
175.11217	9.9
178.16016	4.9
179.08533	6.0
180.09386	3.5
181.10150	13.6
182.10904	5.6
182.15373	19.9
183.08165	5.1
183.11714	18.3
185.09566	7.6
185.13284	13.1
187.11180	8.5
187.14795	7.5
191.07013	4.4
191.08583	5.2
192.09395	5.3
193.10117	12.0
194.10953	4.5
195.08055	4.1
195.11656	17.6
197.09618	7.3
197.13237	7.3
199.11166	8.0
199.14813	4.9
201.09061	3.8
203.08578	4.2
204.09348	4.3
205.10155	7.2
206.10976	6.9
207.11681	13.4
208.12486	6.3
209.09709	4.4
209.13354	14.5
209.16502	9.6
210.15051	15.7
211.11151	5.3
211.14954	9.7
218.08928	3.1
218.10887	6.6
219.11725	6.3
220.12555	4.7
221.13258	17.1
223.11249	7.4
223.14809	16.7
225.12788	7.3
225.16359	5.7
227.14383	4.7
232.12511	4.9
233.13350	7.3
235.11211	4.5
235.14861	5.0
237.12653	4.8
237.16396	10.6
238.17006	4.3
239.14140	3.5
245.13263	4.7
247.14828	13.2
248.11911	3.9
249.12839	9.0
249.16341	8.3
251.14310	17.7
251.18158	5.4
253.15901	13.5
258.14157	4.0
259.14859	6.2
261.12781	6.2
261.16464	3.5
263.14325	11.2
263.17929	9.0
264.14938	5.5
265.15839	9.6
265.19638	6.7
267.17520	3.7
269.15482	3.3
275.14282	3.4
275.17819	6.1
277.15714	6.5
279.13971	5.3
279.17511	11.2
280.18103	6.8
281.15735	5.9
281.19034	29.7
287.17862	3.7
291.17358	4.8
293.15594	6.5
293.18991	24.0
295.10364	3.4
295.20441	3.7
305.18967	6.2
309.18408	8.2
311.16504	4.5
311.19968	55.4
311.23508	2.2
312.20676	5.2
321.18533	5.2
323.20032	4.0
326.88824	4.1
333.18723	6.7
339.19522	9.7
341.21051	6.1
351.19489	7.1
355.15588	3.7
357.20529	14.8
369.20554	13.9
387.10938	3.5
387.21750	100.0
388.21933	9.6
389.21219	6.9
407.22144	63.7
409.23694	22.7
415.21008	3.6
419.22180	39.7
421.23737	5.9
425.23236	70.8
426.23602	5.7
431.22150	4.2
437.23370	49.3
438.23859	15.2
447.21689	9.9
449.23254	13.0
450.23029	3.5
454.33582	3.9
455.20126	6.5
463.57147	3.6
465.22586	17.2
477.22672	8.2
483.23721	26.8
495.23767	10.5
501.24768	33.3
502.24817	3.6
513.24896	53.3
514.25189	6.8
531.39105	40.1
548.85223	4.7
549.20856	5.9
549.40057	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
55.01875	1.2
55.05519	1.4
57.03415	0.7
60.15165	0.7
67.05497	2.5
67.34985	0.6
69.03422	4.7
69.03867	2.7
69.04284	4.2
69.07040	0.8
71.04980	1.3
74.29102	0.7
79.05479	2.1
81.07061	5.7
83.04991	1.5
83.92365	0.7
89.28562	0.7
91.05476	3.4
92.78742	0.7
93.07056	4.0
95.04971	2.5
95.08595	3.0
97.02892	2.5
97.06546	2.0
99.04449	1.2
105.07036	6.8
107.08610	3.4
109.06512	6.9
109.10153	1.8
111.08097	2.5
113.06078	0.7
115.05424	0.8
117.07006	2.2
119.04891	0.9
119.08589	4.4
121.06496	2.1
121.10163	2.3
123.08070	4.2
125.05979	2.2
128.06276	0.9
129.07002	2.8
131.04964	0.7
131.08580	3.7
133.06488	1.5
133.10133	3.1
135.08070	2.1
135.11696	1.0
137.05988	4.9
137.09613	1.1
139.07515	1.6
141.06984	2.5
142.07762	1.8
143.08588	4.9
145.06458	1.9
145.10109	4.2
147.08012	4.2
147.11656	2.2
149.09673	0.8
151.07610	0.9
153.05507	1.0
155.08565	6.1
157.10120	5.5
159.08061	3.3
159.11690	3.2
161.09642	3.0
161.13249	1.1
163.07570	0.9
165.09106	2.1
166.07808	1.1
167.07095	0.8
167.08572	2.7
169.10112	4.6
171.08064	2.1
171.11670	3.4
173.09566	4.1
173.13266	2.0
175.07498	0.8
175.11198	2.5
179.08537	1.7
180.09341	1.3
181.08784	0.8
181.10146	4.5
183.11710	3.8
185.09651	2.2
185.13289	1.6
187.11214	2.0
189.09055	1.3
191.08583	0.8
191.10732	0.8
192.09297	1.1
193.10204	2.5
194.10887	1.6
195.11700	4.7
197.09650	1.1
197.13246	1.2
199.11095	1.4
201.09053	0.9
201.12791	1.1
203.10828	0.7
205.10204	1.1
206.10854	0.8
207.11681	3.2
209.09660	1.4
209.13231	2.7
210.13669	1.0
211.11197	1.6
211.14792	1.3
213.12782	1.1
215.10820	1.2
215.14284	1.4
219.11734	2.0
221.13332	2.5
223.11183	1.9
223.14885	2.4
225.12788	1.2
225.16371	1.1
227.14241	1.8
230.10800	0.9
231.11662	1.3
232.12486	1.0
233.13412	1.3
234.13843	1.1
235.14864	3.0
237.12758	1.2
237.16440	3.4
239.14371	1.0
239.18002	0.7
243.68637	0.7
245.13310	1.9
246.14049	0.9
247.14899	3.3
249.12743	2.2
249.16412	1.8
251.14384	2.4
252.14993	0.9
253.15839	1.4
261.16476	1.1
263.14423	1.2
265.15970	3.7
265.19608	0.9
266.16437	1.5
267.17380	2.0
275.14441	0.8
277.15909	0.9
279.17514	1.6
291.17242	0.8
293.15820	0.9
293.18988	3.1
309.15045	1.2
309.18436	1.5
311.20093	1.9
312.20819	0.9
335.20288	0.9
337.21484	0.9
353.21042	1.5
365.21619	0.9
369.21124	0.8
387.21619	3.1
407.22165	4.0
409.23401	0.8
419.22336	2.6
421.23834	1.0
425.23163	13.1
426.23749	1.3
427.24936	2.2
436.18442	1.3
437.23340	3.6
447.21811	0.9
449.23199	1.5
454.19513	1.1
455.24350	11.8
456.24634	1.5
467.24118	2.7
473.25330	100.0
474.25620	8.2
483.23993	1.2
485.25354	4.8
495.23914	1.1
496.20535	1.0
501.25095	1.7
503.26276	4.8
513.24628	2.2
531.25543	1.2
549.23346	5.6
550.22974	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16849	2.1
52.53885	1.8
53.03949	4.2
55.01873	2.4
55.05513	4.5
57.03440	4.4
61.61183	1.8
64.91661	2.1
67.05508	8.6
67.25244	1.9
69.03428	9.7
69.07066	3.5
70.49872	6.0
71.04990	7.5
75.17558	2.0
79.05502	10.7
81.03417	2.6
81.07062	21.7
83.04987	6.0
85.02917	3.3
85.06548	2.3
91.05476	18.1
93.07050	16.5
95.04985	16.5
95.08602	12.0
97.02903	7.9
97.06548	7.5
99.04456	22.1
104.45826	2.0
105.07043	23.8
107.04962	3.8
107.08590	13.4
109.06522	30.5
109.10144	6.6
111.04391	3.8
111.08082	3.9
115.03925	2.3
115.05475	2.3
115.33468	1.7
115.80521	2.0
116.09874	2.1
117.06998	10.6
119.04908	2.1
119.08575	19.0
121.06493	15.7
121.10137	9.4
123.04499	2.6
123.08085	23.3
125.06001	4.2
125.09713	2.3
127.03949	6.0
128.06233	6.7
129.07019	11.5
131.08580	18.8
133.06483	6.0
133.10135	14.3
135.08086	9.7
135.11754	5.5
137.06000	19.7
137.09647	6.8
137.13179	1.9
139.07611	2.9
141.06979	6.0
142.07765	5.4
143.08569	25.8
145.06491	7.6
145.10147	19.0
147.08017	12.9
147.11676	11.3
149.05957	2.8
149.09624	6.2
151.07553	2.2
153.05505	3.9
153.07014	4.6
154.07843	3.3
155.08536	16.4
156.09354	6.1
157.10138	24.1
159.08054	15.7
159.11673	15.0
160.08795	2.4
161.06003	2.6
161.09645	14.1
163.11089	2.2
165.05501	7.2
165.07053	7.1
166.07808	3.3
167.07195	4.4
167.08598	14.3
168.09306	5.8
169.10118	23.5
170.10645	2.9
171.08055	4.6
171.11716	26.8
173.09637	12.5
173.13271	6.7
175.11227	9.9
178.07722	3.3
179.08537	11.8
180.09349	7.5
181.04968	11.4
181.10109	27.0
182.10899	5.2
183.08044	4.4
183.11710	21.0
184.12222	2.5
185.09665	8.3
185.13289	12.0
187.07561	3.6
187.11205	8.5
189.09143	2.9
191.08556	3.1
192.09314	6.7
193.10138	18.1
194.10901	7.5
195.11699	21.4
196.12360	3.3
197.09525	4.5
197.13309	11.4
199.11232	6.3
199.14912	3.3
201.12750	4.3
202.07736	2.6
202.16731	2.4
203.08572	5.6
204.09360	6.1
205.10179	11.4
206.10870	4.7
207.10010	3.5
207.11688	21.0
208.12346	4.9
209.09778	3.9
209.13272	23.8
210.13954	3.0
211.11165	5.0
211.14830	5.9
212.11549	2.6
213.12781	4.8
216.09303	3.5
217.10162	8.3
218.10794	9.6
219.11734	13.4
220.12369	7.1
221.09691	4.8
221.13242	20.5
222.13995	3.8
223.11229	6.9
223.14818	14.7
224.11844	3.6
225.12744	8.4
225.16370	6.1
227.14311	2.5
229.10185	2.6
230.93552	2.1
231.08168	2.5
231.11711	8.8
232.12466	4.5
233.13301	18.4
234.13986	5.8
235.11188	6.1
235.14815	17.0
236.12144	2.2
236.15486	3.4
237.12726	10.0
237.16394	8.2
238.13390	2.3
239.14313	5.8
239.17889	3.5
243.11714	3.2
245.13307	9.1
246.10507	4.1
246.14043	4.7
247.11095	3.8
247.14853	13.1
248.11885	3.7
248.15456	3.9
249.12831	11.4
249.16455	8.6
250.13618	2.3
251.14323	51.9
251.17145	2.8
251.18100	3.8
252.14832	7.2
253.15822	14.0
254.16588	2.5
255.13937	3.1
257.13281	2.7
259.10928	2.6
259.14771	5.9
261.12735	7.5
261.16550	3.7
262.13593	2.7
263.14355	22.1
263.17902	5.2
264.14984	9.1
265.12888	2.8
265.15912	21.3
265.19226	4.5
267.13852	4.1
267.17404	2.4
271.14880	2.9
273.16379	2.1
275.14316	10.0
275.17798	4.4
276.14679	3.5
277.15927	9.1
277.19254	2.5
279.14157	3.3
279.17474	10.5
280.18280	4.6
281.15741	4.9
281.19012	15.0
287.18088	2.4
289.15671	2.4
291.13931	4.2
291.17383	9.2
292.18134	3.7
293.15405	6.4
293.19003	14.7
295.13489	3.0
295.20511	2.6
303.13873	5.3
303.17368	4.3
305.19067	5.0
307.20471	2.7
309.15109	4.8
309.18491	8.5
311.16647	4.2
311.20035	25.5
312.20825	3.9
315.17477	2.9
317.10126	3.2
318.10715	2.8
321.15228	3.7
321.18698	6.8
323.20123	4.8
327.15942	7.4
327.19351	2.4
333.18478	4.2
339.16177	4.3
339.19608	10.4
341.21051	2.9
343.20355	3.4
347.20422	3.0
349.17993	3.3
351.19568	8.0
355.15417	8.9
356.16150	3.4
357.16809	3.9
357.20706	5.8
359.19650	2.4
369.20706	5.7
371.20261	5.4
379.18695	2.8
385.21429	2.8
387.17184	19.9
387.22238	30.8
389.20908	7.0
401.21207	5.3
403.22733	4.8
407.22171	100.0
408.22458	9.0
409.23886	11.5
410.24023	2.2
411.25198	3.4
415.21228	5.0
419.22198	56.2
420.22464	7.9
421.23898	5.4
423.25668	2.5
425.17627	3.0
425.23264	57.1
426.23450	5.3
429.20547	2.8
431.22375	4.9
433.23746	2.7
437.18210	2.4
437.23395	36.5
438.23895	16.9
439.24594	2.7
441.26291	8.6
447.21710	13.9
449.23163	8.5
450.24127	2.2
455.24670	5.7
456.24661	14.5
459.21588	2.5
465.22638	10.7
467.24200	9.0
473.25348	31.9
474.25793	3.3
477.22562	5.9
483.23706	16.5
484.24005	2.2
495.23730	3.4
501.24799	15.7
513.25024	26.5
514.25391	3.9
549.23883	7.0
550.21899	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
55.01864	0.9
55.05508	1.1
61.02922	0.5
62.98759	0.4
65.33709	0.4
67.05499	1.8
69.03428	3.0
69.06720	4.0
69.07083	0.7
71.04990	1.4
73.02902	1.0
76.12526	0.4
79.05489	2.3
81.07056	3.5
83.04982	1.1
83.08649	0.6
85.02903	0.5
85.06559	0.5
90.16059	0.4
91.05466	3.2
92.05881	0.4
93.07042	4.0
95.04965	1.4
95.08595	3.1
97.02885	2.4
97.06537	2.3
97.07059	0.4
99.04469	0.5
99.91312	0.4
105.07012	3.7
107.08594	3.9
109.06516	5.8
109.10178	2.0
111.08074	1.9
115.03909	0.9
117.07017	2.4
119.08605	4.2
121.06519	1.0
121.10094	2.1
123.08102	2.2
125.05981	2.1
125.09718	0.4
128.06258	1.0
129.06996	2.6
131.08566	3.2
133.06514	0.7
133.10107	2.9
135.08052	2.1
135.11728	1.2
137.06006	1.6
137.09647	1.2
139.07516	1.1
141.07018	1.2
142.07773	1.4
143.08574	4.6
145.06482	0.9
145.10135	4.5
147.08037	1.9
147.11617	1.4
149.09637	1.1
151.07552	0.6
153.06970	0.7
154.07780	1.1
155.07263	0.8
155.08537	5.7
156.09352	0.7
157.10129	5.0
159.08060	2.0
159.11732	2.4
161.09605	1.9
161.13220	1.1
163.07611	0.7
163.11246	0.6
165.07031	0.7
165.09131	2.0
167.07152	0.7
167.08589	2.2
169.10118	4.4
170.10953	0.6
171.08070	1.2
171.11685	3.0
173.09608	3.4
173.13284	1.4
175.11166	1.9
179.08563	1.3
179.10768	0.6
180.09360	0.6
181.08693	0.6
181.10150	3.2
182.10733	0.5
183.08005	0.5
183.11653	2.8
185.09595	1.4
185.13295	1.5
187.11162	1.5
189.09126	0.6
189.12775	0.6
191.08601	0.6
192.09334	1.1
193.10150	3.0
194.10799	0.7
195.11710	3.7
196.12387	0.5
197.09654	0.9
197.13300	1.8
199.11208	1.6
199.14803	0.8
201.09229	0.6
201.12793	1.1
203.10678	1.0
203.14291	0.5
205.10156	1.3
206.10869	0.6
207.11703	2.9
208.12331	0.8
209.09700	1.2
209.13303	3.0
211.11195	1.3
211.14774	1.4
213.12767	1.2
215.14354	0.6
217.10219	0.9
217.12265	0.7
219.11728	1.0
221.13298	2.0
222.13997	0.4
223.11201	1.4
223.14796	2.2
225.12738	1.3
225.16322	0.9
227.10680	0.5
227.14247	1.0
228.14952	0.7
231.11615	0.7
232.12488	1.1
233.13269	1.4
235.11179	0.9
235.14851	1.6
237.12804	1.0
237.16377	2.3
239.14421	0.9
239.17801	0.6
241.10481	0.6
245.13306	0.5
246.14127	0.5
247.14937	2.4
248.15515	1.2
249.12714	0.7
249.16408	1.4
251.14334	1.0
253.15858	0.8
259.14795	1.0
261.12830	0.4
261.16348	0.8
263.14233	1.2
265.15903	4.9
265.19653	0.6
266.11063	0.4
266.16605	1.2
267.17480	2.4
273.16125	0.6
275.17966	0.7
277.19592	0.9
279.17523	0.8
281.15417	0.6
283.16913	0.8
289.19559	0.7
293.19037	1.2
295.17349	0.4
295.20569	1.2
299.18008	0.5
301.19635	0.6
305.18988	0.5
307.20621	1.6
312.33932	0.4
317.18933	0.6
322.53290	0.5
335.20120	1.1
349.21893	0.6
353.21033	1.0
355.15469	0.8
356.16278	0.5
387.18045	1.6
391.22186	0.5
409.23651	1.1
413.19525	0.8
421.23514	0.7
423.25998	0.4
427.24750	1.6
436.18124	0.4
437.23264	1.6
438.23581	1.3
451.24771	0.6
455.18430	0.6
455.24344	11.4
456.24545	1.7
467.23911	0.7
473.25320	100.0
474.25674	8.2
485.25250	4.1
495.23364	0.8
503.26413	5.1
513.24585	0.9
531.26172	0.8
549.23260	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
55.01875	1.2
55.05519	1.4
57.03415	0.7
60.15165	0.7
67.05497	2.5
67.34985	0.6
69.03422	4.7
69.03867	2.7
69.04284	4.2
69.07040	0.8
71.04980	1.3
74.29102	0.7
79.05479	2.1
81.07061	5.7
83.04991	1.5
83.92365	0.7
89.28562	0.7
91.05476	3.4
92.78742	0.7
93.07056	4.0
95.04971	2.5
95.08595	3.0
97.02892	2.5
97.06546	2.0
99.04449	1.2
105.07036	6.8
107.08610	3.4
109.06512	6.9
109.10153	1.8
111.08097	2.5
113.06078	0.7
115.05424	0.8
117.07006	2.2
119.04891	0.9
119.08589	4.4
121.06496	2.1
121.10163	2.3
123.08070	4.2
125.05979	2.2
128.06276	0.9
129.07002	2.8
131.04964	0.7
131.08580	3.7
133.06488	1.5
133.10133	3.1
135.08070	2.1
135.11696	1.0
137.05988	4.9
137.09613	1.1
139.07515	1.6
141.06984	2.5
142.07762	1.8
143.08588	4.9
145.06458	1.9
145.10109	4.2
147.08012	4.2
147.11656	2.2
149.09673	0.8
151.07610	0.9
153.05507	1.0
155.08565	6.1
157.10120	5.5
159.08061	3.3
159.11690	3.2
161.09642	3.0
161.13249	1.1
163.07570	0.9
165.09106	2.1
166.07808	1.1
167.07095	0.8
167.08572	2.7
169.10112	4.6
171.08064	2.1
171.11670	3.4
173.09566	4.1
173.13266	2.0
175.07498	0.8
175.11198	2.5
179.08537	1.7
180.09341	1.3
181.08784	0.8
181.10146	4.5
183.11710	3.8
185.09651	2.2
185.13289	1.6
187.11214	2.0
189.09055	1.3
191.08583	0.8
191.10732	0.8
192.09297	1.1
193.10204	2.5
194.10887	1.6
195.11700	4.7
197.09650	1.1
197.13246	1.2
199.11095	1.4
201.09053	0.9
201.12791	1.1
203.10828	0.7
205.10204	1.1
206.10854	0.8
207.11681	3.2
209.09660	1.4
209.13231	2.7
210.13669	1.0
211.11197	1.6
211.14792	1.3
213.12782	1.1
215.10820	1.2
215.14284	1.4
219.11734	2.0
221.13332	2.5
223.11183	1.9
223.14885	2.4
225.12788	1.2
225.16371	1.1
227.14241	1.8
230.10800	0.9
231.11662	1.3
232.12486	1.0
233.13412	1.3
234.13843	1.1
235.14864	3.0
237.12758	1.2
237.16440	3.4
239.14371	1.0
239.18002	0.7
243.68637	0.7
245.13310	1.9
246.14049	0.9
247.14899	3.3
249.12743	2.2
249.16412	1.8
251.14384	2.4
252.14993	0.9
253.15839	1.4
261.16476	1.1
263.14423	1.2
265.15970	3.7
265.19608	0.9
266.16437	1.5
267.17380	2.0
275.14441	0.8
277.15909	0.9
279.17514	1.6
291.17242	0.8
293.15820	0.9
293.18988	3.1
309.15045	1.2
309.18436	1.5
311.20093	1.9
312.20819	0.9
335.20288	0.9
337.21484	0.9
353.21042	1.5
365.21619	0.9
369.21124	0.8
387.21619	3.1
407.22165	4.0
409.23401	0.8
419.22336	2.6
421.23834	1.0
425.23163	13.1
426.23749	1.3
427.24936	2.2
436.18442	1.3
437.23340	3.6
447.21811	0.9
449.23199	1.5
454.19513	1.1
455.24350	11.8
456.24634	1.5
467.24118	2.7
473.25330	100.0
474.25620	8.2
483.23993	1.2
485.25354	4.8
495.23914	1.1
496.20535	1.0
501.25095	1.7
503.26276	4.8
513.24628	2.2
531.25543	1.2
549.23346	5.6
550.22974	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
55.05513	2.0
57.03432	1.3
59.33736	1.2
61.03001	1.1
61.26714	1.1
67.05510	3.8
69.03443	3.4
69.07083	1.9
69.08489	4.3
69.08913	7.3
73.02914	1.9
79.05502	3.4
81.03381	1.1
81.07050	14.6
82.07412	2.4
83.05004	1.5
85.02918	6.2
91.05484	2.4
93.07061	3.1
93.90541	1.1
94.07410	1.2
94.50904	1.3
95.05002	1.2
95.08589	6.1
96.08937	1.2
97.02914	3.1
105.07026	6.8
107.08572	5.4
109.06548	4.3
109.10144	2.4
115.03964	2.2
119.08592	4.0
121.06491	1.3
121.10160	2.2
123.04424	2.0
123.08125	1.5
125.06007	1.2
129.07040	4.1
131.04955	1.3
131.08598	1.8
133.04993	2.5
133.10165	4.3
135.04465	3.6
135.08076	1.5
135.11674	1.9
137.05997	9.2
138.06351	4.6
139.03925	1.8
145.04974	2.6
147.11736	4.6
151.03903	100.0
152.04292	1.9
157.06541	4.5
157.10066	1.6
159.08101	1.6
159.11659	1.7
161.06018	3.7
161.09692	1.3
161.13275	2.5
163.06079	1.8
173.06001	2.3
184.07343	2.1
185.06003	2.6
187.07600	4.8
191.03467	3.4
203.07146	2.2
203.17944	12.3
215.07060	7.9
221.19078	5.4
229.40498	1.2
231.13544	1.2
233.08099	6.2
258.22253	1.1
259.08176	1.7
283.13226	1.9
295.10107	2.4
335.09482	3.1
353.10220	4.1
353.23001	1.4
371.11188	21.4
372.11932	1.4
418.17337	1.9
436.18384	2.1
454.19547	3.3
472.20441	5.9
473.21521	1.3
490.21475	14.4
532.23798	2.0
533.24957	2.1
550.24341	49.3
550.32867	1.9
551.24957	23.1
551.33234	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75708	1.5
53.03947	5.2
55.01879	7.9
57.03431	6.0
61.02926	5.9
68.99819	2.2
69.03434	31.9
70.24639	1.5
70.61565	4.3
71.04989	3.7
73.02917	7.8
81.03419	23.0
85.02904	100.0
86.50108	1.8
87.00831	46.8
91.03976	1.8
97.02892	43.4
99.04450	13.8
105.01866	79.2
105.07037	7.7
107.08561	2.0
109.02882	37.0
115.03905	2.0
115.39581	1.5
117.01887	2.6
119.08553	2.0
127.03918	85.2
128.04297	2.2
129.01840	3.4
130.89362	1.7
131.08551	2.8
137.05945	2.4
145.04955	40.3
159.02898	14.1
173.13196	1.8
189.03954	2.3
191.14268	10.3
213.04024	9.0
226.11461	2.4
231.04999	33.6
249.06004	12.0
388.16495	2.4
550.21704	2.3
551.20770	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53159	3.1
62.45103	2.9
63.31012	3.2
68.56903	2.6
69.47465	6.6
69.47873	8.9
75.05680	2.7
86.09717	3.7
98.23420	2.9
99.35867	2.6
103.05450	9.9
131.04927	29.7
157.17250	2.4
180.88864	3.1
184.07343	8.3
198.06627	3.0
237.09259	3.2
239.07007	3.2
241.04791	5.5
255.06552	4.7
256.07278	3.2
263.10645	5.8
268.07336	2.5
269.08096	3.4
277.08743	3.4
283.05984	7.8
283.09525	4.1
284.06616	3.4
291.09991	4.9
293.11569	4.3
295.13281	5.6
297.07654	5.5
300.06018	4.2
307.09610	6.1
313.07019	3.4
314.07794	42.6
321.11182	15.1
323.12946	5.8
325.14423	4.1
327.08624	6.7
338.11432	4.2
341.10208	7.0
352.13272	3.7
353.13889	37.4
383.14865	100.0
384.15079	8.6
528.15051	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.3
55.81374	0.7
64.76687	0.7
67.05497	1.8
69.03432	100.0
69.07069	0.9
69.11294	1.9
69.11699	3.8
70.03770	1.3
76.20950	0.7
78.19285	0.7
79.05486	3.1
81.07056	2.6
91.05482	3.5
93.07038	2.7
95.04932	1.7
95.08591	4.2
97.06551	1.8
105.07013	1.8
107.04977	2.6
107.08599	1.6
109.06514	3.4
111.08096	6.4
117.07029	1.3
119.05013	1.0
119.08565	2.4
121.06521	2.4
121.10197	1.2
123.08099	4.1
129.07034	1.3
131.08574	2.6
133.06514	1.4
133.10103	1.1
135.08119	1.3
137.06010	1.2
138.47250	0.8
139.07547	99.6
139.31703	0.8
140.07938	2.0
141.06992	1.1
143.08534	2.3
145.06494	1.6
145.10095	0.9
147.04390	1.2
147.08064	4.3
149.06027	1.1
149.09641	1.6
151.07581	1.6
155.08537	2.7
157.06473	1.6
157.10121	1.2
159.08089	3.6
161.05968	1.8
161.09628	1.9
163.07570	1.6
165.06975	1.3
165.09183	1.1
167.08553	1.8
168.02721	0.9
169.10126	1.8
171.08083	2.8
173.09576	3.6
175.07544	1.6
175.11139	1.0
177.09096	2.4
179.07085	1.3
179.08589	2.7
181.10086	1.3
183.08089	1.5
183.11757	1.2
185.09641	2.0
187.07532	8.5
187.11148	1.5
188.07925	0.9
189.09050	1.9
191.07043	0.8
192.09299	1.1
193.08633	0.8
193.10059	3.8
194.11037	0.9
195.08127	1.5
195.11748	1.8
197.09645	2.3
199.07549	2.1
199.11147	1.8
201.09145	2.3
205.08533	1.0
205.10262	0.8
207.11702	1.1
209.07880	0.9
209.09624	2.2
209.13245	1.0
211.07565	1.0
211.11299	3.9
213.09169	3.5
213.12656	1.0
215.10707	1.9
218.11070	0.8
219.08148	0.8
219.10052	1.2
220.08844	0.9
221.09633	1.9
222.10399	1.1
223.14795	1.0
225.09128	2.7
225.12698	1.7
227.10571	1.3
227.14362	1.0
233.13493	1.2
235.11192	3.6
235.14824	0.9
237.09093	2.6
237.12843	2.5
239.10674	3.0
239.14349	0.9
241.08594	1.1
243.11801	1.4
246.10408	1.2
247.11221	1.4
247.14900	0.9
249.09041	1.0
250.09822	0.8
251.10591	1.1
251.14322	2.8
252.11409	1.3
253.12199	5.0
253.15898	1.6
255.13857	1.7
261.12769	6.3
262.13156	1.2
263.10690	3.3
263.14319	2.3
264.11423	1.3
265.12247	2.6
269.15494	1.5
275.14243	1.1
277.15900	1.6
279.13770	10.4
281.11771	6.4
281.15396	3.0
283.13361	2.3
283.59030	0.9
289.12106	3.7
293.15317	1.1
297.14890	6.5
299.12808	2.2
303.13803	2.1
305.11441	0.9
307.13232	9.1
309.11337	1.2
313.15732	0.9
321.14868	1.9
323.16489	1.8
325.14346	20.9
326.14645	1.3
327.17566	1.2
331.13336	1.1
341.13785	1.0
341.17447	1.4
343.15448	5.9
345.18536	2.4
349.14307	1.8
349.18118	1.1
355.16870	1.2
359.15314	1.1
363.19476	3.0
367.15460	3.8
373.17984	5.6
375.19681	1.7
377.16971	1.7
385.16507	12.1
391.19122	7.7
392.19638	1.1
393.20544	2.1
395.18753	1.3
401.17572	2.1
403.17551	25.4
409.19965	3.3
415.18817	1.0
419.18561	18.0
420.18948	2.6
433.20038	2.3
435.21719	2.5
437.19632	48.1
438.20123	4.3
443.18701	1.5
451.21265	7.4
453.22766	2.9
455.20639	23.8
456.21201	1.5
461.19446	4.6
469.22150	2.2
471.23669	1.3
473.21982	7.4
479.20767	14.5
479.27615	1.5
480.20917	1.5
497.21832	12.3
497.28735	1.6
498.21777	1.4
514.60980	0.8
515.22845	6.3
533.23865	2.2
551.24048	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78540	3.6
55.01862	5.8
55.05513	8.4
63.82395	3.4
67.05502	15.8
69.03076	5.0
69.03432	64.8
69.07070	8.8
71.04991	9.6
71.08487	5.7
79.05492	12.2
81.07050	24.0
82.07382	3.8
83.04987	8.3
85.02869	3.9
86.96788	3.1
91.05484	20.8
93.07061	24.0
93.58363	3.2
95.04977	21.3
95.08607	30.7
97.02885	7.9
97.06543	8.3
97.10162	3.7
99.04469	11.9
101.06044	5.7
105.07014	21.2
107.04926	8.3
107.08607	13.5
108.70399	3.2
109.06537	21.3
109.10167	8.6
111.04449	3.0
111.08069	11.1
115.05457	5.8
117.07018	5.2
119.08564	19.7
121.06516	13.0
121.10126	7.6
123.04483	4.7
123.08067	18.2
125.06004	4.3
127.17397	3.1
128.06227	4.3
129.07010	6.9
130.07817	3.4
131.08566	13.6
133.06490	6.0
133.10110	11.0
134.38098	2.8
135.04416	4.3
135.08063	11.7
135.11678	4.4
137.05977	29.5
137.09605	5.1
138.08847	2.8
139.07538	49.7
140.07899	3.8
141.44603	2.8
142.07788	4.4
143.08569	11.7
145.06493	4.6
145.10124	9.6
146.07210	2.8
147.04355	4.2
147.08040	7.5
147.11702	12.7
149.05989	4.5
149.09633	10.6
151.03874	8.5
151.07544	6.6
153.07080	3.7
155.08528	10.1
157.06503	6.1
157.10144	12.0
159.08058	12.8
159.11639	8.5
161.05962	6.6
161.09608	9.1
161.13184	4.6
165.09070	4.7
167.08429	4.8
168.05618	3.6
169.10132	11.2
171.08069	7.0
171.11649	5.0
173.06087	4.2
173.09598	11.2
175.07588	7.2
175.11180	7.0
177.09103	7.5
179.08614	5.9
181.10118	6.1
183.08051	6.1
183.11655	6.4
185.09627	6.1
185.13377	3.8
187.07458	6.5
187.11148	7.2
189.09116	5.4
192.09302	3.6
193.10138	10.2
194.10532	3.7
195.08051	6.2
195.11728	4.0
197.09596	5.4
199.07506	4.8
199.11188	5.2
201.09123	4.1
203.18001	11.1
205.10185	4.4
207.11592	6.7
209.09666	6.6
211.11232	8.2
213.09245	8.1
213.12885	3.7
215.10614	9.2
219.11821	3.9
220.12518	3.0
221.09550	5.1
221.13223	4.6
221.19096	4.2
223.07521	3.7
223.11116	5.4
225.08841	3.4
225.12720	3.0
227.10667	5.2
231.11845	4.3
233.09647	4.9
235.11151	8.7
237.09090	4.4
237.12610	4.5
239.10605	3.3
241.08662	3.9
247.11139	4.3
247.14774	4.1
249.12816	4.4
251.10693	4.9
253.12178	3.7
261.09015	4.6
261.12689	5.4
261.16559	4.0
263.10822	4.1
263.14291	5.8
265.12296	6.5
265.15717	3.9
279.10117	6.2
281.11700	8.9
287.14102	4.4
288.11478	3.2
289.12018	4.1
291.13562	3.9
299.13049	4.1
307.13208	5.6
309.14774	4.1
321.14795	4.9
335.09314	3.8
345.18542	4.4
373.17972	5.6
391.18976	11.4
401.17422	9.5
409.19904	6.3
417.20193	3.5
419.18442	37.3
427.25275	4.2
433.19940	4.5
435.21835	6.1
437.19339	100.0
438.19952	9.0
439.20868	5.3
451.20752	5.2
453.22766	11.7
454.23074	9.2
455.19894	61.4
456.98672	3.9
461.19275	9.1
469.22495	6.8
471.23550	7.0
472.23856	6.4
473.21680	5.7
479.20609	28.0
497.21661	51.3
497.28558	4.8
515.22717	47.1
532.26312	28.6
550.23218	12.0
550.33502	8.2
551.25110	89.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95111	0.3
53.03939	1.1
55.01867	0.7
55.05509	1.2
55.98735	0.3
57.03421	1.1
57.07068	0.9
61.02930	2.0
65.03931	1.1
67.05501	2.2
69.03432	5.7
69.07072	1.7
70.06584	0.5
70.15924	1.4
71.05009	0.6
73.02911	0.7
79.05496	4.1
81.03408	2.0
81.07063	2.6
83.04978	0.6
83.08594	0.5
85.02907	17.6
87.00832	0.9
87.04493	0.4
91.03967	0.9
91.05470	10.6
93.07038	4.3
95.04969	0.9
95.08612	1.5
97.02892	5.1
97.06557	0.4
98.22688	0.4
99.04444	1.2
103.05448	0.7
105.01857	1.2
105.07029	14.3
106.07320	0.5
107.08594	10.6
109.02892	2.3
109.06499	0.9
109.10133	0.9
115.05444	1.2
116.06226	1.6
117.07013	5.9
117.67702	0.3
119.06071	0.3
119.08582	13.1
121.06490	1.0
121.10142	12.3
123.08067	0.5
126.52039	0.4
127.03918	5.2
128.06223	1.3
129.07013	5.3
130.07848	2.1
131.08568	20.7
132.08888	0.5
133.07533	0.5
133.10149	3.8
135.08029	3.4
135.11711	0.5
143.08560	10.3
144.09369	3.9
145.04953	5.9
145.10121	14.8
145.11266	0.8
146.10588	0.4
147.11681	6.7
149.09625	1.3
149.13266	7.5
157.10121	0.6
158.10909	12.1
159.02925	0.5
161.09598	0.5
163.05960	2.1
171.11682	0.6
173.13266	21.7
174.13573	0.6
175.14836	2.1
191.14310	100.0
192.14659	4.8
209.15388	0.7
212.09273	0.4
213.03972	0.4
226.17982	0.5
231.04962	0.7
254.10263	0.4
313.11765	0.6
314.12347	0.9
315.12994	0.5
490.15237	1.3
491.15344	0.4
518.14685	1.4
550.17621	1.5
555.50824	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.8
67.05507	3.4
69.03428	15.5
69.07059	2.0
71.04988	2.9
71.31769	2.2
79.05493	4.6
81.03436	1.8
81.07052	16.9
85.02915	3.4
86.09706	6.7
88.65979	1.6
88.88669	1.4
91.05486	3.8
93.07059	6.6
95.04984	2.4
95.08611	4.5
97.02878	2.8
99.04472	2.2
104.10754	4.3
105.07050	7.5
107.08595	6.2
109.06543	10.1
109.10146	4.1
111.79831	1.6
117.07041	1.9
119.08572	10.6
121.06526	1.9
121.10162	3.1
123.04453	1.8
123.08063	3.2
125.00017	4.8
127.11216	2.1
129.07013	2.7
131.08575	4.9
132.45201	1.6
133.10129	4.1
134.06050	3.2
135.11667	3.6
137.05980	16.2
139.07536	15.5
143.08580	4.4
145.06522	2.9
145.10110	3.9
147.08087	3.7
147.11717	2.2
149.05968	2.7
155.08598	5.0
157.06395	1.9
157.10117	5.0
159.08070	2.3
159.11697	3.0
165.07048	2.2
167.08490	1.9
169.10133	2.9
173.09627	4.3
183.11734	3.2
184.07343	23.0
187.11269	2.1
189.09053	2.4
193.10098	2.5
195.11778	3.0
197.13237	4.0
203.17957	6.5
206.08086	2.8
209.13217	2.7
211.11136	1.8
211.14850	4.7
212.15575	10.1
221.07979	2.4
221.19000	10.8
223.14650	2.2
227.14244	2.9
229.15891	1.6
242.16673	3.3
247.14740	2.0
249.16563	2.7
265.16141	2.0
299.92880	1.7
343.15680	2.2
373.18054	2.0
419.18509	4.0
421.23645	6.0
437.19336	4.9
439.24820	100.0
440.25171	11.4
455.24387	6.2
469.25989	3.3
479.20651	5.7
497.21390	9.6
515.22906	2.0
532.32513	4.0
550.24170	3.6
550.33527	16.5
551.24872	5.2
551.33124	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.05524	1.3
61.46041	0.4
67.05506	1.8
69.03437	0.9
69.07068	0.7
69.54334	2.7
71.04984	0.5
79.05492	2.6
81.07069	4.3
83.04984	2.5
89.22674	0.4
90.49031	0.4
91.05479	4.8
93.07046	5.4
95.04971	2.1
95.08608	2.8
97.02877	1.1
97.06535	1.5
99.04451	2.8
105.07034	5.3
107.04980	1.0
107.08601	3.9
109.06528	3.7
109.10150	1.2
111.04458	1.3
111.08079	2.9
113.06030	0.5
115.05424	0.5
117.07033	2.3
119.04936	1.0
119.08573	4.1
121.06516	3.7
121.10139	1.4
123.04440	1.8
123.08050	1.1
125.05973	1.6
126.50134	0.4
127.03927	0.5
128.06207	0.8
129.06995	2.8
131.08594	3.9
133.06500	1.4
133.10144	3.3
135.08055	1.7
135.11682	0.7
137.05974	6.2
139.07553	3.1
141.06973	1.2
142.07744	3.0
143.08548	3.5
144.09419	0.5
145.06473	2.4
145.10132	4.0
147.08035	3.6
147.11690	3.1
149.05997	2.1
149.09615	1.3
149.13231	0.7
151.07555	1.7
155.08524	2.6
156.09328	0.6
157.10133	10.4
158.10794	0.5
159.08057	1.9
159.11717	1.9
161.06046	0.5
161.09634	1.6
161.13271	0.9
163.07578	2.4
163.11203	0.5
165.09103	0.6
167.07048	16.3
167.08505	0.9
169.08650	0.8
169.10130	1.5
171.11688	2.1
173.09622	2.0
173.13290	1.9
175.07574	0.7
175.11185	9.2
177.09140	1.1
181.10101	1.2
183.11710	2.0
185.09708	0.6
185.13249	1.0
187.07570	0.6
187.11214	1.2
187.14833	0.9
189.09203	0.5
189.12804	1.2
191.07019	1.1
191.10670	0.7
191.14330	1.9
193.10188	0.5
195.11757	0.9
197.09805	0.6
197.13324	1.7
198.14066	1.1
199.11201	0.5
201.09096	1.1
201.12779	0.9
201.16386	0.6
207.11781	0.6
209.13255	0.8
210.13922	0.6
211.14825	0.7
213.12793	1.0
215.14326	1.4
216.15166	0.6
217.12300	0.8
221.13432	0.5
223.11179	0.5
225.12842	0.7
227.14386	1.0
229.12271	0.7
229.15788	3.1
235.14966	0.6
237.12735	0.5
247.16948	0.8
248.11800	0.4
265.10709	19.1
266.10922	0.6
293.18799	0.5
311.20071	0.9
317.08234	2.3
321.18613	0.6
329.21204	1.4
339.19476	1.0
369.16940	0.6
370.17654	1.0
381.20792	0.6
389.23297	4.5
401.19608	4.1
419.22458	0.8
436.30362	0.4
437.23206	5.6
455.24295	100.0
456.24661	8.4
471.27493	5.8
472.27505	0.6
473.25723	0.6
479.24121	1.1
497.25470	8.6
498.25467	1.0
500.30908	0.5
515.26666	4.8
523.22516	0.7
550.24371	1.8
550.30627	1.4
551.27936	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82145	1.6
53.03946	1.9
55.05520	4.7
64.71446	1.5
67.05511	7.0
69.03426	4.6
71.05003	2.8
73.50405	1.7
79.05499	8.3
81.07070	9.0
83.04971	2.0
86.09709	3.8
87.38716	1.6
88.27645	1.5
88.59652	1.5
91.05474	8.1
93.07068	9.6
93.17096	1.8
95.04962	3.3
95.08612	7.5
97.02910	2.1
97.06524	2.2
99.04442	8.2
105.07029	12.8
107.08562	7.9
109.05846	2.6
109.06509	15.5
109.10168	7.5
111.04449	1.7
111.08076	3.0
117.07033	5.7
118.50645	1.5
119.08572	15.5
121.10114	9.5
123.08082	4.9
125.00034	2.4
127.03929	2.5
128.06253	2.0
129.07018	4.9
131.08563	9.4
133.10150	9.9
135.08130	2.5
135.11707	4.1
137.05934	9.5
137.09624	2.6
139.07578	2.3
141.07051	4.6
141.47615	1.6
142.07774	3.3
143.08543	11.9
144.09564	1.4
145.10117	12.3
147.08060	3.7
147.11691	9.2
149.09642	4.8
151.03958	2.7
153.05464	2.2
153.16605	1.8
155.08562	7.8
156.09326	4.1
157.10135	11.4
159.08125	4.2
159.11676	13.0
161.09636	6.3
161.13274	3.4
161.72159	2.0
165.05492	4.3
167.07135	1.9
167.08563	5.0
169.10130	14.1
170.10843	2.7
171.08054	2.3
171.11713	20.8
173.09663	5.0
173.13354	13.0
175.07510	2.4
175.11356	3.6
179.08530	3.5
180.09335	2.0
181.10117	9.0
182.10858	4.5
183.11613	9.2
184.07365	11.4
185.13315	7.7
187.11211	5.9
187.14882	5.2
189.12814	4.0
192.09337	2.4
193.10197	3.6
195.11748	9.7
197.09616	2.4
197.13266	7.1
198.14030	2.0
199.11151	2.7
199.14862	3.2
201.12756	2.2
205.10213	3.4
206.10992	2.5
207.11731	4.9
208.12373	2.4
209.13271	9.2
210.13945	1.9
211.14822	4.0
220.12396	2.4
221.09535	2.0
221.13255	6.1
223.11333	2.5
223.14851	6.6
224.15530	3.1
225.12715	2.0
225.16278	2.5
229.46448	1.5
231.11852	1.8
232.12506	3.1
233.13292	3.3
235.11055	1.9
235.14864	6.3
237.12764	2.5
237.16360	6.0
239.14392	3.7
241.15744	2.7
244.88426	1.9
247.14838	6.7
249.16460	5.3
251.14290	3.4
251.17940	2.2
259.14655	1.9
261.12692	1.7
261.16513	3.3
265.15955	5.5
265.19470	2.4
267.17435	3.1
267.21060	8.5
277.19528	5.6
279.13937	2.0
279.17352	4.4
289.19543	2.2
295.17389	1.5
295.20532	26.1
296.21280	6.3
305.15564	2.5
305.18863	2.0
307.20633	2.6
309.22256	2.9
325.21634	2.2
327.23196	5.0
342.18500	1.7
353.21088	5.0
371.22165	75.5
372.22690	4.8
375.23331	2.3
393.24261	2.3
403.22913	2.9
405.04153	1.7
421.23752	49.8
422.24167	8.2
435.25079	5.6
439.24838	100.0
440.25143	5.8
451.25043	9.7
461.23337	2.1
467.20499	2.9
471.27731	2.3
479.24289	5.8
497.25381	60.4
498.25662	5.9
515.26874	9.4
533.27460	3.8
550.23584	3.0
551.26147	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.9
54.94700	0.8
55.05507	2.4
57.03443	0.9
67.05489	2.5
69.03436	1.3
69.07063	1.6
71.04996	1.6
73.59167	0.8
79.05492	3.6
81.07052	12.1
82.07397	1.2
83.04988	1.3
91.05466	5.6
93.07057	4.5
95.04970	1.9
95.08593	5.9
97.02901	2.3
97.06514	1.0
98.23369	1.6
99.04459	3.8
105.07036	8.1
107.08620	5.3
109.06518	14.2
109.10161	4.0
111.04429	1.5
111.08070	1.8
113.06039	1.1
117.07045	3.5
119.08576	7.5
119.67597	0.8
121.06526	2.1
121.10150	4.3
123.08080	3.4
125.06076	1.4
125.09641	0.9
127.03865	2.1
128.06219	1.7
129.06996	3.6
131.08578	6.6
133.06464	1.1
133.10139	5.1
135.07976	1.8
137.05977	9.9
137.09593	2.3
138.06354	1.4
139.07590	1.3
141.06985	2.7
142.07759	1.5
143.08549	8.7
144.09276	1.0
145.06451	2.1
145.10124	8.0
147.08070	3.1
147.11694	4.3
148.11948	0.8
149.09656	2.8
151.07541	1.5
153.05562	1.4
153.06941	0.9
155.08545	5.8
156.09364	1.5
157.10120	6.6
159.08037	2.6
159.11707	6.4
161.09668	1.9
161.13281	1.4
165.09187	1.0
167.07167	1.0
167.08554	3.8
168.09360	1.4
169.10147	7.6
170.10728	1.3
171.07991	1.2
171.11707	10.7
173.09595	1.5
173.13223	4.2
175.11203	1.8
179.08582	2.7
181.10066	5.2
182.10834	1.6
183.11690	5.0
184.12433	1.0
185.09631	2.0
185.13292	4.6
187.11185	2.3
187.14848	1.3
189.12784	1.3
192.09395	1.1
193.10152	3.0
194.10854	1.0
195.11711	5.7
196.12383	1.6
197.09663	2.0
197.13289	6.2
199.11241	1.4
199.14861	2.6
201.16437	1.3
205.10219	1.6
206.10872	1.6
207.10065	1.0
207.11774	4.5
208.12328	1.0
209.09671	1.4
209.13269	5.7
211.11221	1.9
211.14861	6.8
212.15598	6.2
213.09201	0.8
213.16348	1.8
219.11703	2.7
221.13280	4.0
222.13898	1.0
223.11221	0.9
223.14844	5.3
224.15523	2.0
225.12759	1.3
225.16338	1.8
227.14320	2.2
229.15858	1.2
229.39388	1.1
232.12511	1.4
233.13318	2.8
235.11232	1.3
235.14815	3.1
237.16191	4.1
238.17171	1.2
239.14272	2.1
239.17865	2.0
241.15871	1.3
242.16653	3.3
245.13081	1.2
247.10977	0.9
247.14873	3.6
248.15570	1.7
249.12686	1.3
249.16391	2.2
251.14426	2.1
253.16008	0.9
253.19618	1.1
255.13919	1.0
259.14914	1.5
261.16339	1.9
263.14288	1.3
263.17935	2.1
264.14700	0.9
265.13214	0.9
265.15906	5.3
265.19583	1.8
266.16605	1.5
266.19907	1.1
267.17578	1.4
267.21036	2.9
275.18286	0.9
277.19485	3.2
279.17410	1.8
281.18988	1.2
288.84885	1.0
293.18936	1.4
295.20560	12.8
296.21082	2.1
305.15579	1.2
305.18997	1.7
307.20596	1.3
309.21924	1.7
317.18948	1.3
323.20004	1.2
327.23233	2.1
335.09506	2.5
335.19919	1.1
335.32803	1.0
353.21054	2.2
371.22156	34.2
372.22491	1.9
393.24112	2.3
399.21527	1.2
403.22690	2.0
421.23749	34.0
422.24301	5.7
423.25443	1.7
433.23831	2.0
435.25290	2.7
437.18417	5.1
439.24802	100.0
440.25195	7.9
451.25055	6.3
453.26221	2.1
455.19760	3.3
461.23184	2.4
469.25986	6.2
473.20587	0.9
479.24219	3.7
497.25812	18.4
498.25284	1.5
515.21362	2.0
550.23792	1.6
551.24634	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
55.05529	1.6
57.03437	0.9
57.07064	1.2
67.05495	2.0
69.03433	4.9
69.07072	2.1
69.07948	6.7
71.04990	2.6
73.02929	1.5
79.05503	3.4
81.03381	0.8
81.07058	16.5
81.67942	0.7
83.04965	0.8
85.02917	3.8
91.05487	2.6
93.07043	6.4
95.04967	1.8
95.08598	3.4
97.02885	4.2
99.04465	1.2
99.08090	0.9
103.05450	0.6
104.10682	0.8
105.07035	10.5
107.08595	5.9
109.06519	7.8
109.10155	5.1
111.04449	0.9
115.03943	1.0
117.07019	2.5
119.08585	17.1
121.06488	0.9
121.10159	2.4
123.08040	0.9
123.11738	1.4
127.03915	1.0
127.11205	5.5
129.07005	1.5
131.04970	0.7
131.08591	2.4
133.04953	1.5
133.10149	4.7
135.08104	0.8
135.11678	8.7
137.05971	5.5
139.07561	2.1
141.06975	1.3
142.07770	0.9
143.08557	2.2
145.10144	4.2
147.08061	2.1
147.11676	3.7
149.09671	1.2
149.13286	1.7
151.03915	0.9
155.08516	3.4
157.10124	4.5
159.08113	1.2
159.11693	1.7
161.09715	1.0
161.13324	1.1
163.06125	1.0
163.07549	1.5
167.08504	0.8
169.10104	3.3
171.11729	2.6
173.09657	1.9
173.13283	1.2
175.07497	1.0
179.08563	1.2
181.10197	2.0
183.11674	2.3
184.07341	1.3
185.13272	1.6
187.11157	1.4
193.34221	0.7
195.11755	1.2
196.12523	0.7
197.13261	2.9
199.11250	0.8
199.14749	1.0
201.16521	1.5
203.17960	10.1
207.11673	1.1
209.13293	3.0
211.11243	1.7
211.14832	5.3
212.15593	8.9
213.16302	1.3
217.10217	0.7
219.11714	1.0
221.09697	0.7
221.13300	1.1
221.19012	20.5
222.19473	0.9
223.14883	1.7
225.12662	0.8
227.14349	3.6
229.15918	1.7
230.16644	0.9
233.13174	1.0
235.14882	1.1
239.20018	0.7
242.16621	4.1
247.14874	1.6
248.15472	0.9
249.16283	1.3
253.15895	0.8
265.15924	0.8
273.16370	0.8
278.19748	0.7
283.16745	0.8
305.18948	0.7
323.15988	0.7
403.22623	1.4
411.25476	0.8
419.18588	2.0
421.23788	4.7
423.25269	1.5
433.20193	0.8
439.24805	100.0
440.25082	8.8
451.25040	1.5
455.24551	1.6
461.19678	1.0
469.25897	6.3
470.26108	0.7
473.21707	1.2
475.67297	0.7
479.20560	1.5
515.26080	2.6
551.25543	0.9
557.04926	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.05508	1.1
63.27416	0.5
67.05498	1.7
69.03433	2.3
69.07072	1.1
69.71108	2.3
69.85620	0.5
71.04999	1.4
73.02893	0.5
79.05495	3.2
81.03425	0.6
81.07055	7.9
83.04990	3.0
85.02895	1.6
85.06537	0.9
91.05474	2.6
93.07059	4.1
95.04961	1.5
95.08598	3.4
97.02886	1.9
97.06524	0.9
98.23281	0.6
99.04469	4.0
105.07043	5.2
107.08589	3.1
109.06526	13.5
109.10165	2.2
111.04462	0.7
111.08088	0.8
117.07018	1.5
119.08582	3.9
121.06496	1.4
121.10156	2.8
123.08078	3.9
125.05990	0.7
127.03961	0.6
128.06259	0.5
129.06996	1.6
131.08569	3.2
133.06517	1.0
133.10139	3.6
135.08057	1.9
135.11636	0.6
137.05975	7.6
137.09587	1.4
141.06985	1.3
142.07780	1.0
143.08571	3.5
145.05109	0.6
145.06445	1.1
145.10100	2.4
147.08067	3.2
147.11693	2.2
149.09624	1.3
151.03862	1.2
155.08531	2.7
157.06477	0.5
157.10106	4.2
159.08073	2.3
159.11713	1.7
161.09608	3.6
161.13239	0.5
163.07527	0.6
165.05482	2.7
165.06805	0.9
165.09128	0.7
166.05801	1.1
167.08545	1.0
168.09348	0.6
169.10152	3.1
170.10406	0.6
171.08086	1.3
171.11739	1.9
173.09636	2.2
173.13313	1.5
175.07512	0.6
175.11223	1.9
179.08492	0.7
181.04997	1.5
181.10129	3.3
182.05344	0.5
182.10785	0.7
183.11729	3.3
184.07358	0.8
185.09639	1.6
185.13277	1.5
187.11263	1.1
187.14754	0.6
189.09180	1.2
193.10175	1.8
194.11009	0.6
195.08018	0.8
195.11632	2.4
197.09715	0.5
197.13246	2.6
199.11241	1.7
199.14819	0.8
201.12790	0.9
203.18022	2.2
205.10115	0.9
207.10127	1.9
207.11784	1.4
209.09662	0.6
209.13365	3.2
211.11165	1.3
211.14894	2.3
212.11539	0.5
212.15559	0.6
213.12761	1.3
219.11839	0.7
220.12502	0.7
221.13269	1.8
221.19017	1.3
222.13860	0.6
223.11264	1.2
223.14853	2.3
225.12862	0.9
225.16234	0.7
227.14204	2.5
229.12282	0.6
229.15941	0.7
235.14842	1.1
237.12721	0.6
237.16464	1.1
239.14348	1.2
240.14642	0.6
241.15877	0.6
247.14854	1.9
249.16449	1.0
251.14409	0.9
251.17902	0.9
253.15996	1.2
263.14227	0.6
265.15881	2.2
265.18640	0.6
267.17563	1.0
268.59460	0.5
275.17685	0.6
281.15338	0.5
283.17105	1.3
291.17526	0.7
295.20538	1.0
323.20160	1.3
371.22086	0.6
393.24310	0.7
403.22516	1.2
409.23965	0.7
419.21967	0.7
421.23813	5.4
425.23386	1.8
433.23904	1.1
435.25394	2.2
437.23993	0.8
439.24799	100.0
440.25085	7.9
451.24765	1.9
453.26758	0.9
455.24344	1.5
461.23318	1.5
467.20444	0.7
469.25815	5.1
479.24384	1.9
497.25534	2.6
515.26538	6.4
551.24164	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.313
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.7
56.36467	0.2
58.06613	0.4
59.07410	0.2
60.08164	6.8
67.05488	0.5
69.07072	0.4
69.15981	0.5
69.16389	1.5
71.07375	3.8
72.72807	0.2
79.05500	0.5
81.07030	0.5
86.09704	33.5
87.10049	0.4
91.05484	0.6
93.07041	0.5
95.08609	0.5
98.98470	3.2
104.10746	4.2
105.07030	0.6
107.08590	0.4
111.04421	0.3
119.08555	0.6
125.00000	23.2
129.07050	0.3
130.46219	0.3
137.05951	0.3
145.10104	0.3
184.07341	100.0
185.07693	1.4
185.61754	0.2
243.26134	0.3
258.11130	0.3
317.08289	0.3
446.22775	0.5
464.24054	2.6
507.33020	0.4
516.30603	0.5
550.24011	1.2
551.22955	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.0
55.05520	2.7
57.03426	3.1
60.08168	3.4
61.02930	3.4
62.71571	1.6
67.05509	5.7
69.03429	8.6
69.07059	6.3
70.57619	4.3
71.04999	9.6
73.02911	7.7
79.05490	8.3
81.03416	2.2
81.07053	47.3
83.23754	1.8
85.02902	20.8
86.09708	14.8
91.05474	7.4
93.07038	15.9
95.08602	12.8
97.02898	11.8
99.08124	2.4
104.10755	3.5
105.07030	32.4
107.08592	18.3
108.32922	1.8
109.10154	17.7
115.03936	7.3
117.07044	1.8
119.08580	63.4
120.08939	2.4
121.10159	4.0
123.11692	8.7
125.00014	8.7
127.03875	5.3
127.11196	22.4
133.04985	7.0
133.10124	14.2
135.11694	37.1
145.04947	6.6
147.11685	13.1
149.13261	5.4
152.29095	1.7
161.13272	6.5
163.05978	5.2
184.07329	42.4
185.42476	2.0
188.66898	2.1
203.17960	46.5
205.42320	2.0
221.19002	100.0
222.19464	4.5
239.20084	4.7
337.63797	2.0
383.18420	2.7
507.27112	3.2
550.24432	40.7
551.26141	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.0
55.01863	8.5
55.05510	12.3
57.03430	16.0
61.02925	9.8
67.05509	29.4
69.00623	38.4
69.01043	10.9
69.03418	21.0
69.07066	12.2
73.02925	30.3
73.08830	4.2
79.05509	21.3
81.03427	6.2
81.07071	52.7
83.08620	4.6
85.02914	44.8
91.05498	22.5
93.07050	42.1
95.08603	68.5
97.02910	30.1
98.23367	9.4
105.07031	57.5
107.08586	56.8
109.02882	6.7
109.06519	4.6
109.10156	55.6
115.03928	20.9
119.08570	40.7
121.10185	25.2
123.11694	9.7
127.03902	15.6
133.04951	30.2
133.10114	21.9
134.91277	5.1
135.11684	10.5
145.04959	13.0
145.10138	6.9
147.11694	42.8
159.11690	4.8
161.13269	14.7
163.06042	6.6
163.14830	12.8
167.26874	5.2
175.14844	8.9
176.13837	5.4
203.17953	100.0
221.19000	19.9
347.22760	4.8
376.36896	4.5
458.47794	4.6
551.24896	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06830	2.0
53.03954	1.6
55.01863	1.5
55.05503	3.4
57.03438	8.3
59.85667	1.9
61.02926	4.3
64.97334	1.5
67.05493	6.5
69.03435	11.6
69.07053	3.1
69.98145	6.5
71.01360	1.6
73.02920	18.2
75.27708	1.5
79.05495	3.4
81.03434	2.4
81.07049	10.4
85.02905	26.5
91.05486	7.3
93.07043	12.4
95.08609	16.8
96.79185	1.7
97.02887	19.4
99.04452	2.2
102.05888	1.7
105.07027	23.1
107.08589	11.5
109.02870	2.3
109.10155	18.3
112.68463	1.5
115.03934	13.4
119.08572	22.1
121.10133	7.9
123.11716	13.2
127.03909	10.1
133.04964	12.2
133.10136	12.2
135.11716	3.0
145.04991	12.3
145.10109	2.9
147.11699	38.0
149.13278	3.2
159.11595	2.0
161.13237	8.3
163.05995	6.3
163.14824	2.2
170.32817	1.6
175.14830	2.8
196.19823	1.6
203.17957	100.0
204.18271	3.4
205.19499	2.4
221.18997	14.0
241.07121	4.2
259.08102	6.6
268.87070	1.8
295.10144	2.7
405.63651	2.0
550.25372	2.9
551.25616	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71008	2.2
55.01863	7.3
55.05518	6.0
57.03432	6.3
61.02933	5.5
65.94415	2.2
67.05503	11.7
69.03429	23.3
69.07079	4.3
70.15957	4.6
71.32561	2.3
73.02902	11.9
78.55161	2.8
79.05510	7.2
81.07072	22.6
83.04930	3.2
85.02907	35.4
87.04453	2.4
88.88293	2.4
91.05466	12.6
93.07050	13.7
95.04964	3.1
95.08614	41.6
97.02889	16.5
99.04458	2.4
105.07030	28.3
106.07374	2.7
107.08589	27.0
109.02895	3.8
109.06526	8.6
109.10147	24.7
111.08098	2.9
115.03936	10.6
119.08598	24.3
119.50846	2.4
121.06505	4.4
121.10134	10.6
123.08050	9.0
123.11738	4.3
123.42059	2.4
127.03928	9.9
129.07123	3.1
130.91318	2.1
131.08549	4.1
133.04973	13.7
133.06491	4.7
133.10152	14.7
135.08049	2.5
135.11627	3.2
137.05978	9.0
137.09621	8.0
138.87225	2.9
139.07539	4.0
143.08560	4.3
145.04967	13.3
145.10114	7.2
147.08092	2.6
147.11684	86.5
148.12042	4.3
149.13260	6.8
150.07669	3.0
151.07532	3.3
157.10126	6.5
159.07999	4.0
159.11708	3.5
161.09526	3.7
161.13280	7.7
163.05998	10.4
163.07323	3.8
167.07040	4.3
169.10202	3.6
175.14867	4.3
181.10126	2.7
203.17955	100.0
204.18295	4.9
207.10075	2.7
213.12709	4.0
221.18944	12.0
287.05399	7.6
296.52948	2.6
349.23019	2.5
351.58655	3.0
380.72086	2.5
439.25052	17.3
455.20132	3.2
460.27713	6.5
473.21609	24.8
474.22141	2.8
526.64648	2.9
550.26343	29.1
551.26141	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	1.4
55.01879	2.8
55.05520	3.6
57.03441	3.4
60.08171	7.1
61.02929	2.3
67.05521	3.4
69.03429	9.0
69.07077	4.6
70.31145	2.0
70.31474	2.1
71.05001	11.5
71.07382	3.6
73.02918	9.6
79.05489	8.3
81.03422	2.2
81.07058	46.0
81.07523	2.5
83.04990	2.1
85.02911	20.2
86.09705	32.8
91.05497	5.3
93.07046	19.5
95.08617	11.3
97.02901	14.1
97.06551	1.9
98.98492	4.4
99.04444	1.3
99.08122	2.0
101.34386	1.2
104.10729	8.7
105.07032	25.8
107.08596	20.9
107.09268	1.3
109.10162	20.9
111.11713	1.4
113.09675	1.7
115.03945	4.3
117.06994	1.5
119.08581	65.4
120.08918	2.1
121.10140	3.2
123.11745	6.5
125.00011	22.8
127.03946	6.0
127.11201	22.0
133.04953	7.3
133.10136	11.5
135.11694	36.7
135.12668	2.2
136.12048	1.6
143.10680	1.6
145.04977	7.1
145.10161	1.2
147.11696	13.4
148.11972	1.4
149.13327	5.2
153.13986	1.1
159.11592	1.4
161.13316	3.8
163.06076	2.0
184.07346	100.0
185.07712	1.5
191.03407	1.9
200.02087	1.1
203.17957	42.4
204.18346	3.2
221.19000	91.7
222.19449	5.4
239.20142	4.2
241.07100	1.7
259.08344	1.5
309.72977	1.3
335.26010	1.8
383.18271	2.8
386.30252	1.2
507.27115	2.2
550.24866	46.4
550.32416	2.4
551.26154	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.01867	2.3
55.05515	10.1
60.62569	1.8
65.03938	2.3
66.02845	2.2
67.05511	17.4
69.03432	5.9
69.06850	17.3
79.05479	9.9
81.07063	16.4
83.04981	11.7
83.08594	4.0
85.06519	3.5
91.05463	13.5
92.70987	1.9
93.07059	21.5
95.04965	6.0
95.08611	30.3
97.02891	4.9
97.06579	2.6
105.06366	3.7
105.07023	31.7
107.08601	18.3
109.06518	4.2
109.10162	8.8
111.04459	3.2
111.08092	7.1
115.18576	2.0
117.07019	7.4
119.08587	32.2
121.06537	4.7
121.10168	11.1
123.08056	14.4
125.06015	2.7
125.09656	2.4
128.06223	4.4
129.06982	11.7
131.08574	16.9
132.26042	2.1
133.06642	2.3
133.10146	17.1
135.08073	4.8
135.11694	5.0
137.05988	3.1
139.07509	4.1
141.07010	2.3
141.09114	3.2
142.07791	8.7
143.08553	20.4
145.10135	28.4
147.08061	6.1
147.11681	7.9
149.09676	4.1
149.13200	2.4
153.07027	2.5
154.07770	3.1
155.08556	27.3
156.09366	6.1
157.10124	25.1
159.08118	3.2
159.11685	19.4
161.09610	10.6
161.13261	7.2
163.11214	7.4
165.07028	6.5
167.08571	10.0
168.09436	2.6
169.10143	14.0
170.10904	2.6
171.07976	2.6
171.11703	23.2
172.08730	2.5
173.09645	7.9
173.13281	13.6
175.11197	8.6
175.14862	3.0
178.07782	2.6
179.08566	4.1
181.10152	7.6
183.11665	10.5
185.09650	2.9
185.13249	15.0
187.11166	7.0
187.14876	10.1
189.12750	10.5
193.10129	9.8
194.10931	6.1
195.08032	20.6
195.11667	10.4
197.09634	5.3
197.13263	7.8
198.13905	3.1
199.11179	6.7
199.14842	10.0
201.12735	4.0
201.16315	3.5
203.14348	5.0
203.17914	2.9
205.10187	3.8
206.10896	5.0
207.11787	11.1
207.13419	2.0
209.09766	3.1
209.13280	14.1
211.11287	3.2
211.14842	10.2
213.12733	6.1
213.16403	5.7
215.14330	9.3
217.10153	3.7
218.10927	2.9
219.11786	4.8
220.12450	3.7
221.13257	8.6
223.14786	5.0
225.16344	3.7
227.14296	7.5
227.17908	12.7
228.14745	2.6
229.10194	3.5
229.15906	9.4
231.11652	3.4
233.09734	2.4
233.13242	4.4
235.14885	5.1
237.12810	4.6
237.16400	3.1
239.14230	4.5
239.18022	4.4
241.15840	5.6
241.19437	11.1
243.21420	2.2
245.13251	5.0
246.14101	2.8
247.14787	4.5
249.12721	3.2
251.18074	4.7
253.12184	2.7
253.19571	2.7
254.12990	19.1
255.13812	21.7
255.17410	7.4
258.13885	2.5
259.14807	4.6
261.16437	4.4
267.13828	15.7
267.17212	3.9
269.18976	14.2
275.17871	2.6
281.19214	2.8
293.18860	3.9
295.17001	2.2
295.20566	5.7
317.19064	2.2
323.20120	3.1
323.23398	3.6
333.22290	2.9
347.20370	2.8
348.20633	2.7
349.21591	9.0
349.25516	3.6
351.23257	11.7
361.21445	3.6
363.26834	4.5
367.26300	18.7
369.24237	46.5
370.24567	4.3
373.25208	2.5
377.21088	11.6
381.27859	8.6
391.26309	12.9
409.22086	3.3
409.27414	64.9
410.27509	6.4
419.21384	2.3
421.23633	15.1
437.23245	39.5
473.22916	5.9
475.24789	11.3
493.25388	3.0
497.58435	2.1
533.25604	3.3
550.24316	3.2
551.26324	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	5.7
55.05518	39.1
61.40903	5.2
67.05508	25.6
69.07069	17.1
69.31438	40.9
79.05486	14.6
81.07066	28.6
81.32595	5.0
83.04980	35.8
88.09462	5.3
91.05476	26.4
93.07048	39.2
95.04959	9.5
95.08607	56.6
97.06537	6.0
98.23381	9.5
105.07026	44.1
107.08613	26.7
109.06538	6.3
109.10142	12.7
111.04425	10.0
111.08058	7.8
117.07047	10.3
119.08591	46.3
121.06491	7.8
121.10162	14.2
123.08061	13.6
123.11735	9.7
123.79314	4.4
128.06218	6.5
129.07047	9.0
130.07803	5.1
131.08559	32.0
133.10120	28.2
135.11719	8.0
142.07790	14.9
143.08540	34.5
145.10129	39.1
147.08015	8.4
147.11667	21.0
149.13318	5.1
155.08557	16.1
156.09351	7.8
157.06416	6.4
157.10092	32.2
159.07988	7.1
159.11722	27.5
161.09669	18.1
161.13229	17.1
163.11159	9.4
165.63342	4.8
167.24597	5.2
169.10106	17.7
171.11665	30.2
173.09555	8.7
173.13228	16.7
175.11127	11.9
175.14812	9.0
181.10127	13.5
183.11699	19.6
184.07326	9.9
185.09608	6.2
185.13211	20.1
185.14804	5.4
187.11107	12.5
187.14850	17.7
189.12738	13.4
195.08124	8.0
195.11728	12.9
196.12526	5.9
197.13234	18.7
199.11232	8.3
199.14725	12.0
207.11607	11.7
209.13240	13.3
211.14804	19.6
213.12877	8.4
215.14311	11.1
221.13258	9.4
223.14818	6.7
227.14316	11.9
227.17981	16.5
229.15881	15.0
241.15941	7.3
241.19460	17.9
244.12358	5.9
249.16521	9.0
251.17931	7.9
253.16051	8.1
255.13763	8.5
255.17374	9.6
269.18994	22.5
275.63477	5.6
276.07828	7.0
294.83670	6.2
295.20599	11.3
351.23236	18.2
365.13760	8.0
367.26324	22.9
369.24258	74.8
370.24609	8.0
381.27963	9.8
391.26492	30.3
407.14709	13.1
409.27295	100.0
410.27673	10.3
419.04593	6.7
437.23062	10.2
478.26059	7.5
550.23340	8.1
551.26428	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
55.05516	26.2
57.07060	4.3
60.52312	3.5
64.73240	3.5
67.05500	16.1
69.03433	7.8
69.07081	16.6
73.02890	4.2
79.05490	16.8
81.07058	43.1
83.04979	10.3
83.08615	6.2
85.06549	16.4
86.09733	5.2
89.46662	3.3
91.05470	27.6
93.07046	38.3
94.07368	3.6
95.04971	9.9
95.08609	41.5
97.02858	4.8
97.06513	8.1
97.10172	15.9
98.23453	6.8
99.08076	3.8
105.07031	44.0
107.04968	5.0
107.08597	35.6
109.06532	52.7
109.10153	16.9
111.08063	9.3
113.06024	5.2
115.05459	4.1
117.07014	14.4
119.08573	42.7
121.06523	8.4
121.10183	21.0
123.08062	19.6
123.11696	7.3
125.05987	13.5
125.09618	10.5
128.66144	2.9
129.07019	10.1
130.07709	3.9
131.08571	23.4
133.06552	5.2
133.10138	35.9
133.39565	3.2
134.10405	3.8
135.08066	13.1
135.11693	7.8
137.05959	5.8
137.09593	6.0
139.07571	4.2
141.07010	5.9
141.09085	7.2
142.07771	8.9
143.08572	30.9
145.06523	8.6
145.10127	28.3
147.08099	5.5
147.11658	19.8
149.09613	12.7
149.13306	5.3
151.11134	5.7
154.07803	3.4
155.08546	30.6
156.09332	5.0
157.10121	26.7
158.41811	3.9
159.08023	16.6
159.11731	17.9
161.09601	7.1
161.13260	11.0
165.07001	4.2
167.08617	10.2
168.09396	6.5
169.08647	7.2
169.10136	25.3
170.10783	3.7
171.08020	6.4
171.11725	19.2
173.09573	34.1
173.13278	5.7
175.11171	3.4
179.08601	7.2
180.09222	6.2
181.10112	16.4
182.10886	6.2
183.11694	22.0
184.07350	6.4
184.08965	3.5
184.12509	3.2
185.09671	8.2
185.13277	13.2
187.11194	13.0
187.14856	4.4
189.12694	5.0
191.08644	4.7
191.10834	3.6
193.08560	7.7
193.10133	11.8
193.61732	3.3
194.10820	6.6
195.11732	24.1
196.12538	3.8
197.09605	8.6
197.13213	18.7
198.13678	3.7
199.11220	12.6
199.14864	8.6
201.09154	5.2
201.12762	6.6
203.17955	13.9
204.09245	3.2
205.10197	5.6
205.12212	4.3
206.10957	5.4
207.11711	16.4
207.13658	6.8
208.12340	4.8
209.09550	4.6
209.13182	17.2
210.10371	3.8
211.11198	12.8
211.14828	10.7
213.12746	14.4
215.10672	5.6
215.14229	4.2
219.11665	10.4
220.12413	4.0
221.13261	15.8
221.18892	4.5
222.14009	3.5
223.11197	15.4
223.14809	14.0
225.12778	17.6
227.10634	4.4
227.14290	5.4
229.12260	3.9
229.16031	5.1
233.13371	7.8
234.13898	4.4
235.14922	16.6
237.12761	7.6
237.16367	7.1
239.14276	6.0
241.12219	6.2
243.13971	4.3
245.13196	5.6
245.15442	5.2
245.99054	3.9
247.14749	4.9
249.16389	9.3
251.14290	8.9
253.12517	3.9
253.15872	5.9
257.13007	4.0
259.14877	8.2
261.16470	8.0
265.12402	4.6
265.15869	6.2
267.13840	4.8
275.14236	5.0
275.17917	4.7
277.15762	6.6
277.19305	4.3
279.17383	5.4
281.15454	6.4
281.18979	4.5
283.16904	5.6
291.17282	3.8
293.18988	7.5
295.16730	6.4
309.18396	4.5
311.20010	5.2
321.18484	7.8
323.20096	7.9
325.21613	7.3
341.21216	8.2
361.21579	4.3
363.19684	6.0
383.23627	5.5
391.26044	8.4
401.24625	11.8
407.25668	11.9
409.27441	10.2
415.26254	6.3
419.20352	6.7
419.25751	73.3
433.27173	13.7
435.28922	14.7
437.26862	100.0
438.27350	7.0
443.25684	14.4
449.26639	9.1
451.28342	12.2
453.30096	19.1
455.27835	63.8
456.28271	6.6
461.26971	45.0
462.27283	6.0
467.28064	9.7
473.28943	4.2
479.27914	91.1
480.28345	5.9
497.28885	45.8
515.29803	7.9
550.24249	46.0
550.33496	15.3
551.25549	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36145	0.6
55.05511	2.5
56.05034	1.0
57.03444	0.6
57.07070	1.0
58.06597	1.8
60.08165	18.2
67.05499	1.9
69.07062	2.5
71.07375	6.6
79.05466	1.1
81.07042	1.5
83.08632	1.1
85.02928	0.6
86.09706	53.8
87.10023	0.9
91.05505	0.6
93.07043	1.2
95.08601	2.2
97.10157	1.0
98.98455	4.7
104.10744	100.0
105.11089	1.3
107.08598	0.6
114.79916	0.5
119.08579	0.6
121.10134	0.8
122.23167	0.5
125.00003	30.4
130.54741	0.4
162.05190	0.5
163.01514	0.5
184.07343	99.6
185.07733	1.3
210.31783	0.6
229.25314	0.5
258.11154	1.7
308.13217	0.5
367.32224	1.0
383.14999	0.9
411.01346	0.5
494.80518	0.5
532.37573	7.5
550.38635	25.2
551.38965	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96301	1.8
56.96566	28.1
68.96561	0.9
69.85367	3.3
71.95259	1.5
79.99046	0.9
84.96034	13.2
98.23225	1.3
98.97587	67.6
107.12251	0.9
110.97569	42.8
112.99120	3.4
116.98623	26.2
118.06600	1.3
124.99113	2.6
128.34947	1.0
128.98605	45.7
131.00156	3.8
131.21912	1.0
134.99655	5.0
140.98607	2.7
143.00179	8.9
144.98073	1.0
146.06018	3.5
146.99657	20.8
147.98351	1.3
148.93307	1.1
149.01271	2.0
151.00655	2.1
152.98633	1.4
158.99614	5.6
160.07610	1.8
161.01236	7.6
163.00630	1.1
165.00697	1.9
165.99376	3.7
169.01758	2.9
170.99678	10.3
174.99139	1.0
177.00735	6.8
179.00180	2.1
179.02240	1.7
181.01721	1.5
182.99690	3.0
184.00403	5.7
185.01172	2.8
187.02850	1.6
188.07043	6.5
189.00710	13.4
191.00169	2.3
193.01772	2.7
194.99707	2.7
197.01346	5.1
197.02869	1.1
197.89932	1.1
201.00658	11.6
205.09770	1.5
206.99750	2.2
209.01196	12.2
211.02798	3.2
213.00687	7.4
215.02267	4.1
217.00215	4.4
219.01767	63.1
220.02155	1.3
221.01180	1.8
225.00665	3.1
226.01418	1.7
227.02286	26.5
231.01804	3.2
237.00885	4.4
237.02818	97.9
238.03229	2.7
239.02309	4.4
241.00146	1.7
243.01767	1.6
245.03296	7.7
249.00726	3.6
251.02252	2.8
255.01633	8.6
255.04015	5.6
257.03333	4.1
260.04318	1.7
263.02274	2.3
267.01740	12.1
269.03421	5.4
273.02866	6.7
279.01678	2.6
281.03351	4.3
285.02744	5.2
291.01767	1.8
293.03345	4.0
295.05045	1.3
297.02734	5.0
299.04422	1.8
305.03168	2.8
309.02841	7.0
321.02731	1.4
323.04306	1.5
327.03854	3.9
329.03189	2.6
335.04620	4.7
339.03809	8.7
347.04407	12.5
353.05429	25.0
357.04871	27.0
357.71841	1.0
365.05389	8.6
371.06641	7.2
375.05826	3.5
383.06732	2.4
389.05331	1.2
491.08591	100.0
492.08881	6.2
509.09702	36.8
510.10205	1.5
551.10345	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1393
Annotation	Scutellarein 7-xylosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
55.01862	1.6
55.38213	2.1
57.03437	10.6
61.02903	3.3
68.99788	2.8
69.03429	8.1
69.91763	9.2
71.01346	1.9
73.02914	17.7
84.21660	1.7
85.02905	8.4
97.02900	10.4
99.51620	2.0
109.97713	1.9
115.03934	7.9
117.33324	2.0
121.02895	9.4
121.39709	2.1
133.04939	3.6
153.01768	4.1
255.62927	1.9
258.05444	2.1
263.72351	1.9
287.05499	100.0
288.05792	6.6
299.05463	14.0
325.06949	4.3
329.06604	9.7
337.07037	7.0
353.06546	11.7
365.06451	3.2
383.07358	11.6
401.08810	5.2
419.09546	4.6
473.43567	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10049	0.5
53.47349	0.5
54.33505	0.5
57.03441	5.9
60.07952	0.5
61.02927	1.2
67.05473	0.6
68.11224	0.7
69.03436	5.6
69.51025	1.2
69.51425	2.3
71.01337	0.7
73.02919	9.8
79.05494	1.3
81.03410	1.0
81.07037	1.2
83.04962	0.6
85.02903	2.9
91.05455	1.6
93.07021	0.9
93.25032	0.6
94.06445	0.5
95.08607	0.8
97.02895	10.8
98.22646	0.6
105.07024	0.9
107.04969	0.8
107.08548	0.8
109.06528	1.7
111.00776	0.7
111.04472	0.7
115.03944	3.9
119.04969	1.2
119.08562	1.1
121.02869	5.1
127.03951	0.7
128.06184	0.9
129.06996	1.1
131.08559	0.9
132.46974	0.5
133.02882	0.7
133.04955	0.8
135.08080	0.8
137.02318	1.0
137.05966	1.0
139.03827	0.7
141.06973	0.9
143.08549	2.3
145.10092	0.6
147.04337	0.5
149.09569	0.6
150.64996	0.6
150.88925	0.6
151.03940	0.7
153.01834	4.5
157.06461	0.9
157.10130	0.8
159.08011	0.9
161.05942	0.7
161.09682	0.9
163.07573	0.5
165.01822	2.2
166.07774	0.8
167.07027	1.2
169.10117	0.9
171.04437	0.7
171.07950	0.7
171.11729	1.0
183.02914	1.1
183.11642	1.1
185.05994	0.7
185.09607	0.7
189.05489	0.6
199.11185	1.3
213.05473	1.5
227.10674	1.2
231.06476	1.2
245.11722	0.8
258.05243	1.3
283.06213	0.5
286.04648	0.8
287.05487	100.0
288.05890	6.3
299.05511	5.7
311.05545	1.1
313.06952	0.9
323.94589	0.7
325.07007	1.0
329.06549	6.7
337.07025	1.4
341.06467	0.8
353.06573	2.6
365.06744	1.4
383.07657	5.5
401.08466	2.8
419.09641	6.1
461.19238	0.7
469.22079	0.8
479.20538	1.8
487.23288	0.9
497.21548	1.8
515.23071	2.8
533.23541	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35938	0.4
54.76216	0.4
62.11435	0.4
62.29661	0.4
69.58103	1.7
70.06594	7.5
71.06329	0.4
71.06918	2.5
71.59940	0.4
84.61536	0.4
85.02968	0.7
87.47443	0.5
91.05499	0.5
95.61734	0.5
97.02944	0.6
98.22694	0.5
107.63956	0.4
114.90724	0.6
117.07089	0.5
117.64905	0.4
123.04456	1.7
124.04800	0.9
127.03674	6.0
137.05997	0.5
141.63942	0.4
144.08057	6.6
161.10762	1.0
163.03931	0.8
165.05545	0.4
177.05409	2.9
177.09138	1.4
178.05887	2.4
178.09471	1.0
179.06087	1.4
180.06308	0.6
185.04210	4.0
187.55807	0.4
200.07407	0.4
203.05324	2.1
227.08875	3.8
236.12851	1.3
237.13145	0.9
289.08914	31.4
289.80154	0.4
290.09351	0.5
297.08740	0.7
330.10623	0.4
331.10764	0.7
389.14133	100.0
390.14487	4.1
399.18826	0.5
445.84045	0.4
473.13998	0.5
551.19342	72.6
552.19714	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2256
Annotation	Lappaol B
Peak:m/z	Relative Intensity
51.07056	0.6
66.61539	0.6
67.05524	0.9
69.06943	1.6
69.07349	3.3
69.75026	0.6
74.85072	0.7
79.05495	0.7
81.07075	1.0
83.88108	0.5
91.05489	0.8
91.09810	0.6
91.98090	0.5
93.07035	0.9
95.08599	0.8
97.06520	0.7
104.10738	1.0
105.07026	1.3
107.08678	0.6
109.06590	0.8
119.08578	0.8
121.06512	0.8
131.08632	0.7
137.06026	1.5
145.10167	0.9
146.78474	0.6
157.10138	1.5
158.10538	1.0
163.07477	1.2
167.07095	1.8
168.07442	1.2
175.11200	1.4
176.11526	0.7
184.07416	1.2
203.05202	0.7
215.10379	0.6
220.10301	0.6
229.16125	0.7
243.09813	0.8
265.10754	1.8
266.10999	1.2
274.11746	4.0
283.26050	0.6
301.86615	0.6
306.10852	0.7
317.08392	7.3
325.13919	0.7
327.15625	2.1
341.17661	1.1
355.15204	0.8
385.16458	1.2
386.17050	1.2
389.22952	0.8
399.14291	0.7
402.19983	0.9
421.23447	0.8
433.19913	1.7
438.23489	0.9
449.22897	0.7
455.24179	5.5
456.24628	17.2
456.86963	0.7
463.24905	0.9
472.27594	0.9
479.23795	3.6
497.77872	0.7
498.25720	1.8
507.23553	2.2
516.27014	0.7
523.22980	10.3
524.23083	0.7
533.21185	0.8
551.21783	100.0
551.29303	7.9
552.22168	7.1
552.30133	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2251
Annotation	Lappaol B
Peak:m/z	Relative Intensity
62.97980	0.2
69.80925	1.0
98.23192	0.4
121.91029	0.2
137.05974	0.4
146.35284	0.3
160.04866	0.3
164.92000	0.2
167.07269	0.2
168.36893	0.2
184.07353	0.2
191.45190	0.2
206.88589	0.2
273.78806	0.3
317.08411	2.1
327.15588	0.6
355.15158	0.7
434.76657	0.3
471.21521	0.3
477.22244	0.8
507.23294	0.8
533.21265	2.5
551.22455	100.0
552.22809	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56981	3.8
55.05505	4.5
67.05496	5.0
71.30761	5.5
76.21794	4.1
121.30642	4.1
124.44130	4.4
142.92973	4.0
360.75836	4.5
463.22504	18.7
464.23013	15.5
465.23825	11.5
507.25067	100.0
508.25259	10.2
523.24481	29.8
551.23511	40.0
552.24982	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.241
Annotation	ent-Alpinnanin B
Peak:m/z	Relative Intensity
69.29131	2.8
81.07004	0.5
84.97701	0.4
87.24310	0.5
98.23338	1.0
110.02763	0.5
113.20464	0.5
183.60501	0.4
211.05440	0.5
233.14114	0.5
245.39902	0.5
355.51715	0.5
551.24103	100.0
552.24371	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53152	0.2
69.04751	0.4
69.05157	2.0
70.51096	0.3
74.76752	0.2
86.76736	0.3
92.51193	0.2
94.56607	0.2
98.23415	0.3
184.07306	0.3
203.05200	1.3
259.07828	1.4
389.22971	1.7
395.26035	0.3
489.26221	0.9
507.27390	0.6
523.86206	0.3
533.24280	0.5
551.28351	100.0
552.28699	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2408
Annotation	ent-Alpinnanin B
Peak:m/z	Relative Intensity
58.14570	0.3
67.05495	0.4
69.06158	2.5
69.06561	0.6
79.12266	0.3
81.07041	0.8
86.09719	0.7
91.05472	0.4
93.07063	0.3
95.08591	0.6
105.03375	0.4
105.07022	0.6
107.88657	0.3
109.10144	0.5
121.10133	0.7
123.43524	0.3
133.10083	0.3
136.07611	0.4
139.03941	0.3
145.55420	0.3
184.07295	1.8
185.07767	0.5
233.12981	0.3
287.15323	0.3
419.20432	0.4
533.23315	1.0
551.24072	100.0
552.24371	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.241
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	0.6
69.24991	0.3
72.89420	0.3
79.05511	0.4
81.07076	0.6
83.04982	0.4
93.07054	0.7
95.08611	0.9
98.22568	0.8
98.32629	0.4
100.76631	0.3
105.07030	0.9
107.08579	0.5
119.08588	0.8
121.10160	0.4
133.10109	0.6
145.10153	0.4
147.11633	0.4
157.10214	0.6
159.11752	0.4
278.44135	0.3
353.17123	0.6
368.26892	0.6
369.24228	0.6
370.24744	1.3
383.16547	0.4
397.19791	3.7
409.26895	0.5
410.27646	1.4
473.24542	1.1
475.22589	0.6
489.25153	0.9
490.24814	2.1
507.24960	2.3
533.24323	2.6
534.25110	0.4
551.24054	100.0
552.24451	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2408
Annotation	ent-Alpinnanin B
Peak:m/z	Relative Intensity
56.48181	0.5
60.08158	1.1
75.17009	0.4
80.08964	0.4
86.09698	3.5
87.10020	0.8
91.20247	0.5
93.07042	0.6
104.10720	0.8
105.07013	1.3
121.89515	0.5
125.00010	3.0
172.28110	0.5
173.38705	0.5
184.07343	13.3
185.07773	2.3
223.77777	0.5
312.02243	0.6
489.25241	1.6
507.26682	0.9
525.05865	0.5
533.24078	1.8
551.24017	100.0
552.24274	8.9
552.36975	0.6
579.45648	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58842	0.3
59.25714	0.3
59.26814	0.3
66.71554	0.3
71.30194	0.3
86.09704	0.6
119.08605	0.4
124.72546	0.3
124.99997	0.5
153.51605	0.3
171.02562	0.3
184.07335	1.4
185.04207	0.7
185.07716	0.5
229.06905	0.8
296.70526	0.3
317.08423	28.0
318.08673	0.7
325.50031	0.3
365.17188	2.4
453.23898	0.4
471.25018	0.8
489.26202	2.1
533.24963	1.1
551.24713	100.0
552.25037	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58842	0.3
59.25714	0.3
59.26814	0.3
66.71554	0.3
71.30194	0.3
86.09704	0.6
119.08605	0.4
124.72546	0.3
124.99997	0.5
153.51605	0.3
171.02562	0.3
184.07335	1.4
185.04207	0.7
185.07716	0.5
229.06905	0.8
296.70526	0.3
317.08423	28.0
318.08673	0.7
325.50031	0.3
365.17188	2.4
453.23898	0.4
471.25018	0.8
489.26202	2.1
533.24963	1.1
551.24713	100.0
552.25037	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48250	0.4
61.10150	0.4
83.04996	0.6
84.37383	0.5
93.07037	0.6
95.08624	0.7
98.22552	1.0
109.06467	0.5
157.10014	0.4
184.84058	0.4
353.17142	0.8
372.25549	0.6
400.22595	0.5
461.26834	1.1
471.25064	1.8
489.26028	4.3
497.22787	0.7
507.27133	6.2
508.27365	0.7
515.23798	3.8
516.24152	0.6
533.25134	10.7
534.25433	0.7
551.26172	100.0
552.26556	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97119	0.2
66.57195	0.2
67.05510	0.3
71.30966	0.2
73.02905	0.2
76.28117	0.2
79.05489	0.4
81.07059	0.9
85.02902	0.4
91.05503	0.3
93.07028	0.5
94.07366	0.2
95.04976	0.2
95.08613	0.5
97.02882	0.4
105.07040	0.4
107.08591	0.2
109.10168	0.3
113.14804	0.2
119.08579	0.3
121.10141	0.3
123.86266	0.2
127.03981	0.2
131.04915	0.4
133.02602	0.8
137.05954	1.7
141.12863	0.2
147.11736	0.2
151.03882	0.5
163.07547	0.4
167.07068	0.5
171.66487	0.2
175.07520	0.2
181.04860	0.2
203.17992	0.4
204.18314	0.6
219.07990	0.2
221.19099	0.2
222.19182	0.2
229.53021	0.2
256.85315	0.2
259.15033	0.2
267.13596	0.2
281.11566	0.3
283.13010	2.7
353.26678	0.3
381.16632	2.3
382.17068	0.3
389.19534	0.3
399.17722	3.2
400.18256	0.3
431.21930	0.3
453.23920	0.6
471.25223	2.0
472.25433	0.4
489.26199	1.3
495.20206	0.3
497.22977	0.8
507.26605	0.3
515.24023	3.7
516.24054	0.2
533.25000	4.7
534.25275	0.6
551.26093	100.0
552.26453	10.4
552.35028	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91533	0.8
67.05533	1.0
71.31037	1.0
81.07066	0.8
105.03424	2.2
131.29617	0.8
139.25182	0.8
166.01056	0.9
215.14482	0.7
228.11000	0.9
237.76869	0.9
242.12560	0.8
268.72714	0.8
323.09262	0.9
347.11487	1.5
354.21799	1.1
365.17361	1.4
367.18805	100.0
368.19122	6.9
381.20340	4.7
405.24243	1.1
419.25616	1.3
423.25168	6.4
432.30630	0.9
435.29083	1.0
437.26563	1.2
447.25507	1.9
461.26825	2.3
463.24524	10.5
464.25516	3.3
465.26300	2.3
479.27542	3.8
489.26083	10.0
505.25677	1.2
507.27194	52.3
508.27100	5.1
523.26654	12.4
524.27496	1.0
533.25256	4.2
551.26196	84.9
552.26508	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.2
67.05502	0.5
69.03421	0.5
73.02921	0.5
79.05475	0.4
81.07054	0.5
85.02891	0.4
93.07071	0.5
95.08575	0.4
97.02895	0.5
97.09534	0.3
98.23338	1.0
105.07052	0.5
107.08562	0.5
109.10147	0.5
110.09727	0.2
119.08593	0.5
121.10063	0.4
123.11691	0.3
132.61606	0.3
133.02600	0.6
133.10088	0.3
137.05977	0.6
147.11665	0.6
148.12013	0.4
167.07050	0.3
191.05222	0.4
203.17998	1.2
204.18332	1.1
241.28418	0.3
243.10022	0.9
261.10983	2.6
265.09766	0.4
283.13327	0.4
287.05597	0.4
311.10074	0.4
327.13190	0.4
335.10114	0.3
339.13382	1.5
355.12982	0.6
367.12924	1.0
381.16989	0.3
399.17813	1.5
431.22470	0.3
441.24094	0.6
453.23557	0.6
458.23740	0.3
459.25253	0.7
471.25119	1.3
485.22925	1.0
488.18063	0.5
489.26172	1.1
492.21463	0.4
497.22699	0.5
503.23978	1.7
515.23981	2.9
516.24048	0.4
520.20746	3.8
521.25354	0.7
533.17480	0.5
533.25085	6.7
534.25385	1.0
551.26129	100.0
552.26495	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01791	0.3
60.53275	0.3
69.17707	2.3
69.18109	0.6
81.07075	0.5
83.04961	0.4
86.09695	0.8
93.07040	0.3
93.92742	0.3
95.08599	0.6
95.57566	0.4
98.22652	0.6
101.18465	0.3
104.10721	0.8
105.07056	0.5
107.08601	0.4
113.08132	0.3
119.08638	0.5
133.02611	0.6
133.10062	0.3
145.10170	0.3
155.08569	0.3
157.10146	0.3
184.07385	1.6
185.07741	0.4
223.14984	0.7
317.08417	0.6
335.16241	0.4
351.59390	0.3
365.17261	8.8
367.18433	0.4
447.24857	0.4
453.24194	1.5
471.25143	3.5
477.26535	0.6
489.26096	7.4
490.26022	0.6
507.26999	3.1
515.24225	1.3
533.24957	4.6
551.25464	100.0
552.25769	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94987	0.4
79.05509	0.4
93.07044	0.7
95.08607	1.0
98.23388	0.8
105.07033	0.6
109.06535	0.5
119.08567	0.8
121.10126	0.6
122.10509	0.5
123.99418	0.4
138.39839	0.4
184.07280	0.6
223.51036	0.5
258.63251	0.4
285.14697	1.0
327.18042	0.5
383.18259	7.8
399.17734	0.7
413.19397	1.6
436.48260	0.5
471.25177	1.2
489.26108	1.2
505.25156	0.6
507.26712	2.7
533.24762	2.1
551.25732	100.0
552.25958	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36692	1.0
54.42488	1.1
69.11769	10.1
79.05518	0.9
98.22621	2.2
102.92057	1.1
106.74790	0.9
107.04894	0.9
109.06531	1.4
123.80359	0.9
131.04950	1.4
135.04390	1.2
136.33521	1.1
137.06033	2.7
137.37987	1.0
139.07666	1.2
151.03955	2.7
163.07635	1.6
171.68446	0.9
184.07336	2.1
191.07053	1.7
202.74187	1.1
218.05522	1.1
240.44527	1.1
266.48978	1.1
313.10529	1.5
317.08380	11.7
327.15842	1.1
344.29568	1.1
370.17471	1.9
371.18100	1.1
401.19815	3.1
402.19855	8.9
456.24710	4.8
463.14066	1.2
489.25739	1.2
523.22992	1.6
533.23572	3.9
551.25220	100.0
552.25159	8.3
560.54456	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.7
55.07239	1.0
65.43108	1.0
67.05495	4.1
69.03436	2.8
69.05417	2.2
69.05818	7.4
69.07065	2.1
77.17045	1.2
79.05470	2.2
81.07070	5.8
83.04993	1.6
90.98685	1.0
91.05467	5.1
93.07051	4.2
95.08624	7.6
96.08981	1.0
97.02909	7.2
97.03419	1.2
97.06536	1.7
98.23473	2.1
105.07053	7.0
107.08602	4.7
109.06541	3.1
111.04440	1.0
111.08120	1.2
115.05492	1.5
117.07068	2.2
119.08582	6.2
120.08941	1.4
121.10123	1.7
123.08072	2.3
128.06218	2.9
129.07011	1.9
131.08592	3.8
133.06558	1.0
133.10170	5.5
137.05954	1.1
141.07057	2.2
142.07816	1.5
143.08565	3.8
145.06464	1.4
145.10158	5.2
146.10512	1.3
147.08047	1.2
147.11732	1.2
152.06172	2.2
153.07008	2.6
154.07765	2.3
155.08554	17.6
156.09398	1.8
157.10121	4.0
158.10556	1.6
159.08070	1.7
159.11725	3.0
161.09631	2.4
165.07030	4.7
166.07854	1.7
167.08556	8.1
167.60559	1.2
168.09349	1.3
169.10132	5.2
171.11719	4.1
172.12155	1.4
173.09631	1.9
173.13194	2.0
178.07890	1.1
179.08498	5.3
180.09306	2.9
181.10155	4.2
183.11752	2.7
184.12234	1.3
185.13289	1.9
187.11221	1.4
189.09021	1.2
189.12746	1.2
190.07808	1.2
192.09393	3.0
193.10109	6.9
194.10976	3.6
195.08061	22.4
195.11766	6.0
196.08600	1.7
196.12273	2.3
197.09641	2.7
197.13315	2.5
198.13669	1.2
203.08589	2.4
205.10158	4.0
206.10938	2.9
207.08026	1.5
207.11743	8.4
208.12323	2.1
209.09770	1.3
209.13231	10.8
211.07626	3.1
211.11205	2.0
211.14784	2.2
213.09212	1.5
213.12746	1.5
216.11493	1.7
216.14732	1.4
217.10207	3.0
217.12155	1.3
218.10957	1.8
219.11678	4.1
220.12506	2.0
221.09746	2.6
221.13280	6.4
223.14873	1.2
223.79266	1.1
229.10191	1.7
230.11034	1.9
231.11710	4.4
233.09604	1.8
233.13319	4.6
235.11372	1.3
235.14827	2.0
237.12782	4.3
238.13451	1.9
239.10626	2.5
239.14281	1.7
242.19907	1.7
243.11725	2.1
244.12440	1.8
245.09605	1.4
245.13286	2.7
247.11293	1.2
247.14870	2.8
249.12810	2.5
249.16476	3.0
251.14093	1.2
252.11456	2.2
253.12270	3.1
254.13019	26.6
255.13812	27.5
256.14151	1.9
257.13257	1.8
259.11102	1.3
259.14893	3.8
261.12906	1.3
261.16397	3.5
263.14301	1.2
267.13834	18.5
268.14468	1.3
271.14847	1.8
273.12961	1.3
273.16391	2.5
275.14200	1.7
275.17755	1.2
277.15894	1.6
289.15903	2.7
299.17990	1.4
301.16104	2.5
305.15414	1.7
305.18893	1.3
317.15390	2.4
319.17062	3.3
321.18536	1.4
329.19012	1.5
331.20804	1.3
333.18658	1.6
335.20120	1.7
345.18500	2.1
347.20108	3.6
348.20993	1.8
349.21719	12.4
352.23660	1.4
359.20016	3.2
361.21548	8.8
368.26706	2.2
370.24777	4.1
377.21146	13.1
379.23041	1.8
392.26761	2.5
407.22205	2.5
408.23080	1.9
410.27478	8.0
421.23743	18.5
422.24350	1.7
431.25851	1.3
437.17184	2.3
437.23227	43.1
438.23596	4.3
473.23386	3.1
474.23984	2.0
475.24557	13.1
491.24399	7.2
493.25598	4.1
505.25876	2.5
533.25372	3.1
551.26312	100.0
552.26727	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46595	0.4
55.05516	0.6
58.07135	0.4
58.72826	0.4
61.29856	0.4
67.05504	1.0
69.03435	0.9
71.96099	0.4
79.05496	0.8
81.07050	0.7
86.09708	1.4
91.05486	0.7
107.08610	0.8
109.06464	0.6
109.10199	0.9
116.46368	0.4
116.60646	0.6
119.08584	0.5
125.00013	0.8
133.10107	0.5
139.07617	0.5
158.45531	0.6
184.07329	3.0
185.07684	1.0
265.26065	0.5
285.10577	0.5
296.10416	0.5
297.49768	0.5
317.08417	3.1
376.96310	0.5
387.16669	0.5
389.22992	1.7
390.23093	0.6
396.50885	0.5
476.83615	0.5
489.25778	0.6
551.28772	100.0
552.29083	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2826
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
70.18373	0.9
70.18721	0.2
72.07232	0.2
121.21436	0.2
147.41881	0.3
177.99274	0.2
185.04239	0.3
187.84850	0.2
203.05222	1.1
214.49934	0.3
230.40707	0.2
258.17880	0.3
259.07898	1.2
263.69986	0.2
305.91406	0.3
333.19180	0.5
389.23071	1.4
489.26398	0.8
551.28357	100.0
552.28729	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2824
Annotation	12-Dehydroxyghalakinoside
Peak:m/z	Relative Intensity
52.90456	1.2
55.05507	2.7
56.51757	1.1
57.03436	1.7
60.08161	1.4
60.44245	1.2
66.00836	1.2
67.05506	2.3
69.07069	2.2
70.45383	1.2
79.01629	6.9
79.05478	3.2
81.07034	2.0
86.09705	9.5
91.05490	2.0
93.07053	2.1
95.08598	1.4
104.10744	14.1
105.11078	3.4
105.43708	1.2
107.08560	2.8
109.10155	1.6
119.08569	1.3
124.39243	1.1
124.99972	3.9
127.10921	1.2
138.02893	5.2
139.03641	10.9
140.54715	1.4
145.10162	1.5
153.05202	4.5
167.06917	1.5
173.13263	1.4
177.90228	1.4
179.13306	1.1
181.08380	1.4
184.07349	14.4
198.05017	2.8
206.12654	1.4
209.11467	2.0
211.05785	6.6
221.11475	3.1
223.13022	13.6
240.54388	1.3
251.12555	15.1
253.10226	1.5
267.12000	4.9
281.13553	3.6
295.15042	1.3
297.13120	1.4
306.14343	2.2
307.15182	15.3
310.29169	1.3
317.08185	2.3
322.14020	1.5
323.14590	9.4
337.16165	5.4
338.16748	2.3
349.16202	2.6
351.21313	1.4
365.15527	2.5
366.16492	12.4
367.18768	2.4
379.17209	15.3
393.18854	1.6
407.19861	2.3
421.26028	1.8
449.25253	6.2
450.25696	7.0
463.27002	1.3
465.24527	2.6
489.27911	2.3
491.25839	3.0
505.26987	2.0
517.31274	1.9
533.26453	4.2
551.28485	100.0
552.29077	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2828
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
54.03999	0.3
62.81320	0.3
71.49443	0.3
79.05463	0.3
92.48657	0.3
105.07036	0.3
107.04961	0.3
126.04476	0.3
203.05289	1.1
215.41376	0.3
257.56387	0.3
257.69696	0.3
259.07983	1.2
294.84802	0.3
315.19318	0.5
361.01865	0.3
371.21896	0.4
389.22839	2.9
419.39569	0.3
444.75522	0.3
489.26291	0.7
507.27252	0.8
515.24158	0.5
533.25024	1.5
551.28259	100.0
552.28619	9.7
553.87469	0.4
556.46741	0.3
572.21179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25805	3.2
69.03436	3.6
69.07063	3.4
69.34646	17.7
71.45304	2.8
75.63694	3.0
76.83484	2.9
79.05499	7.6
79.61246	3.2
81.07072	9.4
85.02916	4.1
91.05482	15.2
93.07060	7.3
95.04972	4.8
95.08605	8.0
97.02885	4.6
97.06509	4.2
98.22684	6.3
99.84972	3.0
105.07034	14.0
106.82963	3.2
107.04950	3.5
109.06522	12.0
109.10174	3.7
111.04451	3.0
117.07009	9.8
119.08579	13.3
119.34193	3.7
121.06521	5.1
121.10177	3.3
123.08042	3.3
128.06171	3.1
129.07013	5.1
131.08582	6.5
133.06479	5.5
133.10138	26.0
135.08072	3.2
137.05978	19.4
143.08549	9.9
145.06442	3.8
145.10097	6.0
147.08034	43.4
155.08615	4.1
157.10112	7.2
159.11655	5.1
161.05940	6.4
161.09619	29.6
165.07048	3.2
167.07091	5.6
169.10199	7.7
171.11723	7.6
173.09622	5.2
175.07649	3.9
175.11168	3.8
181.10124	8.1
183.11681	6.6
187.11179	4.0
187.45308	3.0
189.09084	14.4
193.08612	5.5
193.10144	4.4
195.10208	6.4
195.11852	3.9
196.12183	3.3
197.13248	4.0
199.11221	3.2
201.12695	4.5
206.10918	3.0
207.10168	100.0
207.11647	5.3
209.13179	5.6
211.14879	5.3
227.14349	12.1
228.15144	5.2
240.25261	2.7
241.15805	3.6
251.14407	3.0
277.19434	3.4
285.14725	4.1
303.15921	14.5
327.81094	2.9
389.18561	7.4
421.23730	50.3
422.24185	5.3
439.24982	26.0
440.25217	5.1
451.25269	4.2
457.25607	4.1
479.23584	5.3
487.00156	3.7
497.25052	10.0
551.25146	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.7
55.05508	2.0
57.03449	4.6
67.05495	3.4
69.03440	9.2
69.07073	1.9
69.07245	3.4
69.07626	13.9
71.04994	22.2
79.05493	3.4
81.07066	7.3
83.04984	5.1
85.02905	29.9
91.05494	5.0
93.07062	5.9
95.08620	6.5
97.02897	5.3
97.06507	3.6
100.02520	1.6
105.04016	1.6
105.07038	3.5
107.08624	4.5
109.06534	5.3
109.10152	4.1
111.04455	2.7
111.08083	2.2
117.06993	2.7
119.08605	4.5
121.06530	1.9
121.10174	2.9
123.08073	2.8
123.11723	2.5
125.06068	1.7
129.05493	11.6
129.07004	2.8
131.08568	3.8
133.10127	4.1
137.06001	4.0
139.07552	4.7
141.07014	1.8
143.08557	5.0
145.04988	2.6
145.10120	4.1
147.06543	4.8
147.11731	2.4
155.08557	4.5
157.10139	3.6
161.05898	1.7
164.09148	2.4
165.09102	2.1
167.07170	2.2
167.08533	2.0
169.10176	4.1
171.11699	2.8
173.09602	3.4
181.10150	2.7
183.11736	2.1
185.13181	1.6
193.10165	3.2
195.11722	5.4
203.14191	1.7
203.17940	2.4
209.13144	2.2
237.16391	2.4
239.14226	2.2
247.14763	3.6
250.15065	1.8
252.78860	1.9
265.15915	4.8
267.17484	2.3
304.65506	1.7
385.16751	2.1
427.24631	2.0
455.24677	12.4
473.25385	100.0
474.25687	5.2
515.26324	3.5
551.24213	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.7
55.05508	2.0
57.03449	4.6
67.05495	3.4
69.03440	9.2
69.07073	1.9
69.07245	3.4
69.07626	13.9
71.04994	22.2
79.05493	3.4
81.07066	7.3
83.04984	5.1
85.02905	29.9
91.05494	5.0
93.07062	5.9
95.08620	6.5
97.02897	5.3
97.06507	3.6
100.02520	1.6
105.04016	1.6
105.07038	3.5
107.08624	4.5
109.06534	5.3
109.10152	4.1
111.04455	2.7
111.08083	2.2
117.06993	2.7
119.08605	4.5
121.06530	1.9
121.10174	2.9
123.08073	2.8
123.11723	2.5
125.06068	1.7
129.05493	11.6
129.07004	2.8
131.08568	3.8
133.10127	4.1
137.06001	4.0
139.07552	4.7
141.07014	1.8
143.08557	5.0
145.04988	2.6
145.10120	4.1
147.06543	4.8
147.11731	2.4
155.08557	4.5
157.10139	3.6
161.05898	1.7
164.09148	2.4
165.09102	2.1
167.07170	2.2
167.08533	2.0
169.10176	4.1
171.11699	2.8
173.09602	3.4
181.10150	2.7
183.11736	2.1
185.13181	1.6
193.10165	3.2
195.11722	5.4
203.14191	1.7
203.17940	2.4
209.13144	2.2
237.16391	2.4
239.14226	2.2
247.14763	3.6
250.15065	1.8
252.78860	1.9
265.15915	4.8
267.17484	2.3
304.65506	1.7
385.16751	2.1
427.24631	2.0
455.24677	12.4
473.25385	100.0
474.25687	5.2
515.26324	3.5
551.24213	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.01870	0.5
55.05512	3.7
57.03428	0.5
59.05004	0.4
59.41801	0.4
65.03941	2.3
67.05505	25.1
68.05833	0.5
68.12069	0.4
68.69480	0.5
69.03429	9.4
69.07066	5.2
70.24896	1.0
70.25248	0.6
71.04993	4.6
73.10475	0.4
75.04469	0.5
79.05491	12.0
81.03431	0.6
81.07058	21.4
83.04981	10.0
91.05485	8.1
93.07052	4.9
95.04984	2.4
95.08614	2.3
97.06544	1.7
103.05473	0.5
104.03101	0.4
104.68539	0.4
105.03402	1.0
105.07030	10.7
107.08596	7.7
109.06525	1.8
109.10154	5.8
119.08572	0.9
121.10149	0.8
123.11721	1.0
131.05087	0.5
131.08571	0.7
133.10110	5.9
149.09622	1.6
151.11169	3.2
167.07022	0.6
173.09702	0.6
175.07521	0.4
191.10591	0.5
194.56882	0.4
195.08195	0.5
199.07498	0.6
203.18015	0.5
210.06737	0.8
211.07539	1.3
213.05577	0.5
219.10014	0.5
220.08640	0.5
222.06735	0.5
223.07564	0.7
225.09077	0.6
227.07019	0.9
229.08659	0.7
232.08778	0.5
233.09732	1.2
235.07613	1.1
236.08504	0.7
237.05530	0.8
237.09151	0.7
238.06256	0.8
239.07150	1.3
239.10735	0.6
240.07874	0.8
241.04938	0.8
241.08589	1.0
242.09528	0.7
243.06538	1.6
245.09830	0.5
246.06895	0.6
246.10260	0.6
247.07570	1.1
247.11250	0.5
249.09201	1.3
250.06229	0.8
251.07150	1.5
251.10812	1.3
252.11592	0.6
253.05011	0.9
253.08723	1.3
254.05748	0.6
254.09305	0.9
255.06551	2.0
256.07324	1.1
257.08090	1.2
258.08856	0.7
261.09183	1.3
262.10077	1.1
263.06964	0.9
263.10782	2.2
264.07809	1.3
264.11368	0.5
265.08749	1.3
265.12119	0.6
267.06628	2.4
267.10132	1.4
268.07260	0.6
268.10886	0.8
269.08057	1.3
270.08942	1.4
271.05978	0.8
271.09677	0.9
272.06790	0.6
275.07129	0.9
276.07874	0.6
276.11285	0.5
277.08636	2.8
277.11868	0.8
278.09436	2.1
278.12729	0.5
279.02682	0.5
279.06598	1.7
279.10199	3.8
280.07465	1.1
280.10822	1.2
281.04874	0.6
281.08084	2.9
281.11151	0.6
282.08862	1.8
283.06104	2.0
283.09427	0.7
284.06735	0.9
285.07675	1.4
285.11313	1.1
286.08212	0.9
287.05997	0.6
287.09177	0.9
289.08649	0.9
290.09357	0.9
291.06641	1.3
291.10211	2.8
291.13361	0.6
292.10953	1.3
293.08127	2.0
293.11758	2.9
294.08850	1.3
294.12521	1.6
295.06290	0.9
295.09756	1.9
295.13400	2.6
296.06979	0.9
296.10431	1.6
297.07651	1.7
297.11069	0.9
298.08463	2.0
299.05743	0.7
299.09088	2.3
301.07230	1.9
301.11127	0.8
302.07986	1.7
303.10266	0.7
304.10834	0.7
305.08167	1.8
305.11850	1.3
306.08829	1.2
306.12561	1.6
307.06271	0.9
307.09686	4.3
307.13229	1.4
308.06992	0.9
308.10446	2.6
308.13806	0.7
309.07584	1.5
309.11191	2.6
309.14902	1.6
310.08368	1.0
310.11969	0.8
310.15643	0.8
311.05740	0.7
311.09213	1.9
311.12769	1.1
312.06485	0.8
312.09915	1.8
312.13284	0.7
313.07104	1.6
313.10782	3.7
314.11539	1.7
315.09027	1.5
316.09494	1.0
317.10321	3.0
318.11234	2.2
319.09671	2.6
319.13184	0.7
320.10419	1.4
321.07516	1.5
321.11234	4.5
321.14481	0.7
322.08609	1.2
322.12051	2.6
323.05780	0.7
323.09125	2.8
323.12839	7.4
324.09909	1.1
324.13535	1.3
325.07065	1.1
325.10800	1.6
325.14362	0.9
327.08795	1.6
327.12512	1.6
328.09366	0.9
328.13129	1.6
329.10434	1.0
330.10849	2.2
331.12234	1.8
332.12726	3.0
333.07645	0.8
333.11224	1.4
334.08417	0.8
334.11926	1.1
335.09067	1.7
335.12860	3.8
336.09912	0.7
336.13336	3.5
337.07199	0.8
337.10703	2.5
337.14389	6.1
338.07834	0.7
338.11417	1.2
338.15198	4.2
339.08688	1.7
339.12326	4.1
339.15924	1.1
340.12961	1.9
341.10278	0.8
341.17627	0.8
343.08188	0.8
343.12103	1.3
344.12839	0.9
345.13583	3.6
347.09015	1.4
347.12808	1.5
348.09790	1.1
348.13660	1.1
349.10684	2.3
349.14044	0.8
350.11569	1.1
351.12228	2.7
352.12973	1.7
353.10205	1.6
353.13919	3.1
354.11011	1.0
354.14633	3.6
355.11746	1.3
355.15460	3.8
356.08826	0.8
356.12643	0.7
357.13412	1.4
359.11240	4.6
359.15131	1.2
361.10556	1.1
361.14459	1.1
362.11276	1.0
363.12250	1.8
364.13065	1.0
365.09909	1.0
365.14145	2.1
366.10788	1.1
366.14862	1.0
367.11624	1.4
367.15573	3.5
368.12207	0.7
368.16406	2.2
369.13446	0.8
369.17017	13.0
370.17715	7.5
371.11331	2.0
371.15033	1.7
373.14066	1.0
375.16022	0.9
376.13202	0.6
377.13824	2.0
379.11325	0.7
379.15527	1.3
380.12332	1.2
381.13257	4.1
381.17404	0.7
382.14081	1.3
383.15268	1.0
385.12476	1.1
385.16953	1.1
386.17325	3.9
391.15454	1.0
392.16245	1.0
395.14737	4.5
396.15778	1.8
397.16620	1.6
398.16919	1.7
399.13931	0.9
399.18430	0.7
400.18881	1.0
401.19604	26.5
402.19980	1.8
407.18799	0.7
409.16339	1.1
410.17120	0.8
411.17978	1.4
418.17554	0.8
423.17877	1.0
427.17685	4.3
428.18060	0.6
429.18918	1.4
441.19144	0.8
443.20633	0.7
449.19720	0.8
451.21448	0.5
455.21661	0.6
467.24603	0.8
481.21939	0.7
482.22919	1.3
483.23911	1.5
487.24960	1.0
489.25964	0.6
495.23679	1.4
501.26297	0.8
502.27585	0.9
505.25931	0.8
518.26611	0.5
519.27393	7.7
520.28217	11.7
521.28333	1.3
533.29138	1.3
536.27728	0.7
551.30023	100.0
552.30396	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.7
53.03942	6.3
55.05504	16.5
57.07069	9.2
65.03948	4.8
67.05237	2.5
67.05512	30.6
69.07070	19.6
70.49232	4.5
73.69377	2.6
79.05482	23.8
80.05822	3.3
81.07058	45.5
82.31141	2.9
83.08610	10.8
91.05482	46.6
93.07047	62.5
95.04982	5.3
95.08601	41.9
103.05441	5.9
105.07030	84.1
106.07358	2.5
107.08595	59.8
109.06559	3.5
109.10154	37.9
115.05453	5.0
117.07027	20.0
119.08583	100.0
121.10150	39.6
123.11701	9.8
128.06236	8.8
129.06975	11.1
130.07761	8.2
131.08577	28.3
133.07564	3.3
133.10135	56.5
135.09889	2.4
135.11707	29.3
141.07002	7.2
142.07776	17.8
143.08565	23.7
144.09315	10.8
145.10129	73.8
147.11690	18.2
149.13281	3.1
153.06993	4.6
154.07800	2.8
155.08521	14.3
156.09317	14.7
157.10135	37.9
158.10849	8.3
159.11691	37.5
161.13268	8.2
167.08533	6.7
169.10158	17.9
170.10907	6.4
171.11676	18.5
173.13264	21.0
175.14815	24.8
179.08607	7.2
181.10129	10.7
182.10934	7.0
183.11700	13.5
185.13268	12.9
186.14064	2.9
187.14847	8.8
193.10117	8.3
194.10858	6.0
195.11665	13.0
196.12415	7.2
197.13228	16.9
199.14879	6.9
201.16402	10.6
206.10954	4.3
207.11745	7.1
208.12273	3.7
209.13242	12.0
211.14819	13.4
213.16383	5.4
219.11761	4.0
220.12338	4.9
221.13237	7.9
223.14871	9.9
225.16325	5.5
231.11703	3.6
233.13252	3.8
235.14798	4.0
237.16411	4.9
241.19400	4.1
243.20253	3.1
245.13287	3.0
247.14896	3.8
261.16391	3.2
275.18054	4.1
285.22031	4.0
329.16357	2.9
412.14798	3.1
429.32004	2.9
551.42365	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
54.88553	3.4
55.05496	13.3
57.07056	9.0
60.04518	3.7
62.76001	3.6
67.05505	36.0
69.07073	24.6
71.08643	5.6
79.05488	29.3
80.04967	3.3
81.07060	40.7
82.38013	3.9
83.08615	16.2
84.98773	3.4
85.10168	3.6
91.05468	35.6
93.07047	55.8
95.04942	3.6
95.08602	47.2
97.10126	3.9
98.23386	5.0
105.07036	65.9
107.08592	55.9
109.10144	31.1
117.07011	18.9
119.08580	100.0
121.10136	49.9
123.11700	14.5
126.87307	3.9
129.07014	10.0
130.07758	5.7
131.08554	26.4
133.10129	61.5
135.11697	40.0
137.09569	4.4
142.07813	9.1
143.08580	17.7
145.10121	69.5
147.11681	22.9
149.09627	4.0
149.13275	6.7
155.08505	9.2
156.09338	6.7
157.10112	36.0
159.11726	29.8
161.13243	13.0
169.10117	14.0
170.10924	6.1
171.11652	18.0
172.12437	4.4
173.13287	29.2
175.14816	38.6
179.08534	4.9
181.10156	11.1
182.10905	5.6
183.11725	16.7
185.13239	13.4
187.14842	11.8
189.16440	5.7
193.10149	6.8
194.10851	4.8
195.11699	13.0
196.12355	4.5
197.13254	15.2
199.14824	9.8
201.16360	20.3
203.51398	4.4
207.11711	5.4
209.13222	11.3
211.14915	8.7
213.16255	3.9
219.17465	4.8
221.13292	10.6
223.14796	12.0
225.16281	6.3
235.14690	6.7
237.16530	5.8
239.18086	6.0
241.19418	5.3
253.19394	3.8
260.23785	4.0
261.16333	5.4
263.17935	4.9
267.21097	5.7
277.19861	3.5
279.20929	4.7
289.19626	5.0
386.99017	4.9
533.41504	6.2
548.10223	4.0
551.42627	48.9
552.42511	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
74.85154	0.9
99.10459	0.9
105.03394	8.1
107.98338	0.8
112.58664	0.9
131.04921	1.0
165.07033	1.9
179.08617	1.5
181.06528	1.7
183.08020	1.4
194.07103	1.2
195.08115	1.8
197.05933	2.1
199.07559	2.2
207.08145	2.9
208.08759	1.1
209.06052	1.2
209.09563	1.8
210.06734	3.1
211.07523	3.9
212.08344	1.0
221.05913	1.2
222.06755	1.4
223.07487	1.9
224.08321	3.1
225.05508	1.1
225.09167	1.9
226.06187	2.5
227.06982	4.6
233.09814	1.4
235.07553	5.1
236.08281	2.6
237.05499	3.5
237.09088	4.3
238.06239	1.6
239.07022	4.0
239.10660	5.0
240.07866	2.4
241.04881	1.7
241.08638	3.0
242.05653	1.0
247.07504	1.4
249.09102	1.4
251.07109	3.5
252.07761	6.4
253.04979	2.8
253.08572	3.1
254.05719	3.3
254.09511	2.8
255.06566	4.9
256.07339	1.5
257.08151	1.1
261.08997	1.5
263.07050	3.7
264.07800	1.2
265.05563	1.1
265.08603	7.0
265.12262	1.3
266.05682	1.1
266.09262	2.3
267.06638	4.3
267.10190	12.9
268.07291	4.6
268.10434	1.7
269.04871	1.6
269.08099	6.9
269.11340	1.3
270.05219	2.7
271.06073	1.6
271.09683	1.1
277.08554	3.1
278.09219	1.9
279.10043	1.4
280.07233	2.8
280.10999	0.9
281.04425	2.8
281.08008	3.2
282.05942	1.0
282.08817	5.0
283.06064	3.0
283.09448	1.7
284.03918	1.0
284.06757	4.8
284.09738	1.0
285.07547	6.5
292.06766	0.9
292.10730	1.0
293.08087	5.0
293.11642	2.6
294.08917	2.7
295.06125	2.9
295.09683	13.9
296.06851	2.7
296.10165	1.0
297.07535	6.2
297.11224	9.7
298.08368	2.2
299.05588	3.9
299.09149	11.3
305.08157	1.7
307.09625	1.1
308.10532	2.4
309.07541	1.6
310.08453	3.6
310.44119	1.1
311.05554	3.6
311.09076	3.2
312.06406	2.0
312.09955	2.9
313.07230	7.3
313.10669	1.5
314.07861	1.8
315.08731	2.0
319.09604	1.2
320.10361	1.0
321.07581	1.9
324.09848	4.0
325.07205	1.8
325.10687	24.2
326.07791	17.4
326.11197	2.0
327.04874	3.6
327.08621	10.1
327.12326	2.5
336.09848	2.2
337.10794	1.5
339.12329	2.5
340.09406	2.7
341.10168	3.7
341.13730	1.3
342.07315	5.6
350.11545	2.1
351.12222	12.3
355.11740	51.0
356.12045	2.4
357.09689	24.6
369.13345	13.4
370.13733	1.3
371.14957	1.6
381.13293	7.7
399.14377	100.0
400.14685	6.9
415.17459	1.3
553.18274	4.0
553.27887	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
53.64706	1.3
55.01873	5.1
57.03437	22.8
58.15947	1.3
59.04995	3.7
59.11209	1.1
60.04527	2.9
61.02927	6.3
65.03947	1.9
65.43429	1.1
69.03430	76.6
71.01350	3.9
71.04996	1.4
71.10034	2.6
73.02917	34.6
75.04476	1.6
79.05495	2.6
81.03430	5.1
81.07027	1.2
83.04981	2.0
85.02904	63.4
87.03926	1.4
87.04470	38.3
91.03960	3.3
91.05484	39.8
92.01540	1.3
95.04977	2.2
97.02891	87.0
99.04449	7.1
103.03942	4.5
105.07040	2.8
107.05011	1.7
109.02905	3.4
111.04449	4.5
115.03929	85.2
116.04241	1.3
117.05484	2.8
117.07034	1.1
119.05025	1.2
122.07548	1.1
123.04467	2.7
125.02494	1.1
127.03918	15.2
129.07051	1.7
131.08562	1.5
133.04962	100.0
133.06564	3.3
134.05292	2.5
135.21501	1.1
138.64064	1.1
139.03905	5.7
143.03310	1.6
144.08067	2.6
145.04950	16.8
145.06548	2.3
150.07619	14.9
150.08730	1.7
151.03871	1.4
153.05428	2.3
157.04980	9.2
157.06198	1.2
161.04483	1.5
163.04050	1.3
163.06052	7.6
165.05510	3.6
169.05009	2.1
175.06007	4.0
175.07491	2.5
181.04985	2.0
183.51543	1.2
187.06000	2.4
193.04951	3.3
195.06651	1.3
199.05925	2.0
205.08708	1.5
211.06105	7.8
211.07834	1.4
217.07007	2.4
217.08849	1.4
223.06041	4.5
223.09628	1.8
229.07077	27.9
230.07304	1.3
237.01279	1.1
241.07072	4.9
247.08163	14.1
253.10799	1.6
259.08185	8.6
265.09198	24.3
277.09213	3.1
295.10236	9.4
339.92419	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01867	6.8
55.05500	1.9
55.21098	1.1
57.01357	1.2
57.03436	22.8
59.04993	4.7
60.04530	1.5
61.02928	6.3
65.03939	3.1
66.07880	1.2
67.05522	3.4
69.03430	76.5
69.28307	9.1
70.03764	1.7
70.06594	3.0
71.01360	3.3
71.04990	3.9
73.02917	13.0
75.04481	2.8
79.05491	4.7
81.03423	6.5
81.07065	3.4
83.01347	1.4
83.04983	3.9
84.04498	1.9
85.02905	68.1
87.04472	42.6
91.03946	2.3
91.05481	58.7
92.05813	2.1
93.03486	1.3
93.07056	3.7
95.04971	5.6
95.08608	2.5
97.02893	80.0
97.06528	2.5
98.03218	2.0
99.04441	6.4
103.03934	3.5
103.05464	4.4
104.05722	1.5
105.07034	9.6
107.04952	5.9
107.08595	4.7
109.02892	4.3
109.06542	3.2
110.03633	1.8
111.04436	4.5
111.08105	1.5
113.02427	1.5
113.43790	1.3
115.03931	78.2
117.03393	1.7
117.05531	2.9
117.06987	1.8
119.04957	2.5
119.08579	5.5
120.08111	3.9
121.06489	1.5
121.10130	4.7
123.04445	2.4
125.05975	2.5
125.09648	1.2
127.03919	16.9
129.05554	1.7
129.06996	3.0
131.01903	1.7
131.04910	4.8
131.08636	1.6
133.04967	100.0
133.06555	3.6
133.10126	2.5
134.05344	2.0
135.04359	1.3
135.08054	1.7
135.11668	3.1
137.05937	9.6
138.06348	1.7
138.09106	2.0
139.03888	4.3
145.02829	1.6
145.04947	16.6
145.06461	2.4
145.10136	5.3
147.04424	7.8
147.08057	5.0
147.11717	2.6
149.05983	2.3
149.09584	2.8
150.07614	10.9
151.03912	21.9
151.05023	2.8
151.07629	1.4
152.04247	7.8
153.05452	1.9
154.05803	1.4
157.04967	5.6
157.06235	1.3
157.10115	1.4
161.04500	2.7
161.05956	2.8
163.03981	2.0
163.05995	4.1
163.07465	1.6
163.11218	2.9
165.05466	2.6
167.07076	1.9
169.04939	2.1
175.03928	1.7
175.06024	4.0
175.07579	3.4
175.14876	2.7
177.03314	4.1
177.05539	6.1
181.04906	1.8
187.05919	1.4
187.07513	1.6
187.14845	5.3
189.05568	1.6
189.12747	2.2
191.07056	2.0
192.07265	1.6
193.04945	2.3
193.08620	1.6
193.15912	1.5
205.08652	2.9
205.12392	2.2
205.15923	4.5
207.06404	2.0
211.05954	6.4
211.13301	1.4
217.06929	1.3
219.06488	2.3
223.05936	1.5
223.09666	8.7
223.13260	3.4
229.07011	13.6
235.09666	2.1
237.07578	5.9
238.08026	4.5
241.07098	2.4
247.08182	6.6
253.10706	1.9
259.08170	5.4
260.10211	1.3
265.09192	6.9
277.09290	3.0
292.22290	1.7
295.10062	6.6
298.09113	1.3
357.62799	1.4
363.15387	1.9
369.13824	1.8
389.12256	1.8
390.13058	4.4
408.09933	1.3
552.17773	19.9
553.17889	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67184	0.3
67.05464	0.4
70.64993	0.3
78.44657	0.4
79.05451	0.7
80.43610	0.3
80.88382	0.3
81.07014	0.5
82.06537	0.4
91.05445	0.7
93.07036	1.6
94.06573	1.7
95.04961	0.3
95.07329	1.6
95.08539	0.7
96.08131	3.7
103.05427	0.3
105.07003	0.7
108.04397	0.3
108.08114	3.1
109.08843	0.4
110.09021	0.4
110.09692	5.9
119.08483	0.3
120.03722	0.3
120.04448	3.7
120.08098	4.0
122.05975	1.2
122.09680	0.5
123.06760	0.3
124.07552	0.9
134.09608	0.3
136.07576	4.4
137.05930	0.8
138.08133	0.4
138.09135	7.7
146.05948	0.7
147.11659	0.5
148.07500	1.2
150.05400	0.4
150.09132	1.1
151.06174	0.3
152.07013	1.1
152.10641	0.5
159.06717	0.3
164.07056	0.8
166.07321	0.5
166.08632	7.9
176.10657	0.5
180.10138	0.5
182.11737	0.4
185.10695	0.4
185.86441	0.3
185.88417	0.3
188.25702	0.3
192.06593	0.4
194.08109	1.6
196.09790	0.7
197.10684	1.0
203.18019	0.4
209.10704	1.1
211.08623	0.4
211.12138	0.7
212.09383	0.9
213.10214	0.5
216.06577	0.3
221.10669	0.4
223.08710	1.4
223.12259	1.2
224.09444	1.0
224.12930	0.4
225.10213	3.0
226.10829	0.5
227.11678	0.8
233.10732	0.9
235.08607	2.0
235.12245	0.5
236.09305	1.0
237.10229	7.9
238.10941	1.7
239.08086	1.4
239.11722	3.1
241.09727	0.8
244.68365	0.4
246.07744	0.6
247.08739	0.4
248.09322	1.3
249.10225	5.8
250.10934	2.5
251.08208	2.9
251.11786	6.9
252.08884	1.0
252.12486	1.4
253.09698	5.2
253.12663	0.4
253.13248	0.3
254.10364	0.9
255.11285	0.5
261.10266	3.1
262.10974	1.1
263.08548	0.6
263.11774	2.7
264.08890	0.6
265.09735	9.1
265.12650	0.3
266.10373	2.3
267.11301	4.6
268.11987	0.6
269.09167	1.0
269.12820	1.0
271.10831	2.7
273.12280	0.7
276.08749	0.5
277.09784	2.8
278.07419	0.5
278.10431	3.8
279.07642	3.2
279.11246	9.1
280.08060	0.4
280.11935	1.9
281.09146	2.4
281.12701	1.9
282.09949	0.7
283.10782	6.5
284.11447	0.7
285.12369	1.0
287.13977	1.5
289.09698	4.9
290.10321	0.5
291.11292	1.4
293.09161	1.6
293.12781	3.5
294.09982	4.7
294.13284	0.6
295.10855	4.0
295.14108	0.6
296.11581	2.2
297.08966	0.4
297.12338	1.3
298.09659	0.8
299.10226	2.3
306.09888	1.1
307.10825	2.4
308.11667	0.7
309.08920	0.6
309.12314	2.8
310.12982	0.5
311.10236	6.2
311.13898	1.6
312.11050	2.8
313.11777	2.1
314.12567	1.7
315.13605	0.5
317.08978	0.5
321.08569	0.8
321.12421	1.1
323.10217	1.2
323.13885	1.3
324.10913	1.9
325.11746	1.3
326.12589	4.6
327.09741	0.6
327.13348	7.6
335.10223	8.2
337.11743	0.5
339.13385	47.4
340.10330	2.0
340.13919	2.1
352.10614	1.1
353.11261	0.9
354.12097	4.5
355.12863	14.1
356.13269	1.0
358.15619	0.4
367.12863	32.7
368.13309	2.0
371.12308	0.4
374.14917	0.5
386.14636	0.9
387.15683	0.8
399.15338	0.6
418.17761	0.5
436.18811	0.5
447.18164	0.4
451.20883	0.8
460.18747	1.4
479.20291	1.6
488.18152	11.9
489.18408	0.9
492.21249	5.6
502.19434	0.6
520.20770	100.0
521.21039	8.2
538.21814	0.6
552.23511	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87808	2.2
54.02802	2.6
55.75024	2.5
71.31879	3.7
91.05522	2.7
105.03421	20.7
124.69282	2.4
133.10184	2.5
140.66815	2.9
272.06659	3.2
279.13934	2.6
284.06784	3.8
285.07535	3.7
289.43573	2.6
295.13293	4.7
299.09116	8.2
312.09943	5.1
313.10452	2.9
315.08566	6.0
323.12787	6.9
326.11536	8.6
330.11047	16.8
331.11508	3.4
337.14368	11.0
338.15228	4.1
339.12344	3.6
353.13846	13.4
357.13327	5.6
368.16125	24.6
369.16934	21.0
399.12750	6.0
399.17999	100.0
400.18475	6.8
552.32928	3.1
553.21808	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18707	1.8
51.94158	2.0
69.35369	10.2
69.35773	4.0
84.96114	2.3
91.05570	2.9
92.34261	2.1
105.07052	3.0
119.08578	2.7
138.45222	2.5
138.71381	2.2
165.62105	2.2
211.07600	3.0
225.05452	3.4
225.09064	4.0
229.78044	2.2
234.48233	2.1
239.06989	4.2
240.07666	2.1
241.04825	3.2
249.09032	3.0
253.08546	4.8
255.06345	3.0
263.10721	3.8
265.08630	4.3
267.06540	3.0
267.13770	2.7
269.08466	2.5
271.06207	2.2
281.08072	6.3
283.06134	2.3
285.07608	5.4
291.10168	4.6
293.08221	3.0
293.11478	4.0
295.13278	7.7
297.07629	5.0
301.06799	5.1
302.07852	12.7
308.10318	3.5
311.09079	9.2
314.07776	3.0
315.08664	3.1
316.09402	13.8
317.10327	3.1
321.10989	4.3
323.12827	8.5
327.15930	5.2
329.10272	5.2
339.12509	3.6
343.11743	5.6
353.13910	16.0
354.14563	8.8
355.15396	33.1
356.15765	3.6
385.16446	100.0
386.16846	7.6
472.59619	2.5
510.47867	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.5
61.91271	1.0
69.36134	7.1
73.83453	0.9
74.09709	2.8
83.04941	1.1
98.26344	1.1
105.06997	1.0
168.92822	1.0
173.09650	1.0
192.09543	1.2
201.09167	1.2
211.07547	1.3
221.09523	1.3
226.06058	1.2
235.11185	1.2
237.09085	2.5
238.06192	1.2
239.06987	1.1
240.08066	1.1
248.08342	2.6
249.09109	2.6
251.06883	1.4
251.10606	1.8
252.11357	1.4
256.07227	1.8
257.08270	1.1
261.09003	1.2
263.10709	6.5
264.11432	2.7
265.08603	8.2
265.11169	1.3
267.06512	1.2
267.10269	1.1
267.13809	1.4
269.11646	1.2
271.09726	1.6
271.68018	1.1
277.08609	9.1
278.09335	1.9
279.10098	2.5
280.10883	7.8
281.11652	2.4
282.08856	1.7
291.09891	1.3
292.11237	1.5
293.08051	1.7
293.11462	1.6
294.09048	1.2
294.12442	1.2
295.13193	9.0
297.11243	2.2
299.09152	2.4
308.10486	1.9
309.11194	8.1
310.11780	1.5
312.13416	1.7
313.10764	1.1
323.12653	8.0
324.13605	9.0
325.10855	2.3
325.14240	1.9
340.13062	3.5
355.15393	100.0
356.15976	10.6
366.63925	1.0
387.17984	12.0
491.77255	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
66.99501	2.0
71.32275	2.9
71.32621	2.9
83.39423	2.9
89.11501	2.4
115.34856	2.3
171.74837	1.9
196.89282	2.6
211.07568	3.2
221.09677	3.9
225.09171	2.3
227.07007	3.5
231.23080	2.3
234.31029	2.5
235.10983	3.4
239.07054	2.5
249.09177	3.0
253.08533	3.4
257.08060	3.8
261.09036	2.6
263.10678	6.3
265.08575	5.4
265.12247	4.9
266.09528	2.5
267.06470	5.0
269.04349	3.0
271.09412	2.9
277.08698	3.5
279.10086	5.3
280.11023	5.1
281.08200	4.8
281.11743	11.2
284.06796	9.9
285.07651	17.7
291.10178	5.5
293.08301	2.7
293.11685	8.5
294.12390	3.3
295.09872	2.9
295.13208	9.8
296.14294	3.5
297.11246	6.0
299.09122	8.8
300.09967	6.6
307.09775	3.4
308.10361	7.0
309.11279	15.2
310.12131	2.9
311.09076	3.7
314.11499	12.0
316.09296	2.9
322.12009	3.9
323.12732	11.8
324.13412	7.7
325.10605	5.9
325.14322	11.1
327.15927	4.8
340.12976	11.5
341.09744	3.1
341.13760	36.5
342.14258	3.6
344.97540	2.5
355.15375	69.7
356.16183	96.5
357.16519	9.5
385.16199	8.1
387.18027	100.0
387.23090	4.9
388.18286	8.6
552.33813	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01872	4.1
55.05268	0.9
55.05513	9.0
57.03437	10.7
59.04995	1.2
60.15972	0.6
61.02928	3.4
67.05500	11.5
69.03429	22.5
69.07059	1.7
71.01344	2.3
71.04994	6.7
73.02922	12.0
78.04711	0.6
79.05501	1.8
81.03411	2.7
81.07059	4.6
83.04977	23.5
83.08620	1.9
85.02907	34.5
87.04467	8.4
91.03984	1.5
91.05483	11.4
92.03041	0.7
93.07040	3.1
95.04968	3.7
95.08616	1.5
97.02892	28.6
97.03516	1.5
97.06516	1.9
99.04450	2.7
99.08105	0.9
103.03950	1.3
103.94181	0.7
105.07037	5.3
107.04949	0.8
107.08589	4.5
109.02893	1.7
109.06524	3.0
109.10161	15.9
111.04413	0.7
111.08070	5.9
112.91062	0.6
113.05994	2.4
113.67899	0.7
115.03930	18.5
117.07013	1.7
119.08571	4.7
121.10132	2.7
123.08055	2.8
125.02354	0.8
125.06038	0.7
125.59946	0.6
127.03929	8.2
129.06987	0.7
131.08557	1.2
133.04968	18.7
133.06488	1.2
133.10107	1.7
135.11671	2.7
137.05975	0.8
137.09604	5.1
139.11162	0.9
143.08504	0.8
145.04965	9.1
145.10101	2.3
147.08057	6.2
149.09589	1.4
150.07605	2.6
151.03893	0.9
153.12776	1.4
157.04977	0.8
159.11745	1.4
161.09665	0.9
163.06052	4.5
163.11176	9.9
165.09114	2.2
169.12251	3.6
175.07515	2.6
175.14783	0.9
177.12775	1.5
181.12231	2.4
187.11108	0.9
193.04829	0.8
193.08566	2.1
195.10335	1.1
203.25160	0.9
205.12263	7.3
211.05945	1.1
220.25471	0.6
223.13286	100.0
224.13646	4.6
229.07051	2.2
241.07040	1.5
241.14388	2.0
247.08113	2.1
253.10768	0.8
259.08179	2.4
265.09076	2.0
277.09174	1.1
285.48019	0.7
295.10147	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.6
55.05507	9.2
57.03429	2.9
65.03947	1.6
67.05511	4.6
69.03430	15.9
69.07078	3.2
70.06602	2.8
71.04982	2.6
71.28958	3.0
73.02917	3.1
79.05500	5.3
81.07068	4.8
83.04979	13.4
85.02908	23.0
89.95994	2.0
91.05492	5.1
93.07079	9.7
95.04978	3.4
95.08600	10.3
97.02888	6.1
97.06541	9.3
99.08123	4.8
105.07045	5.8
107.08597	6.9
109.02915	3.4
109.06545	5.1
109.10156	3.6
113.06056	3.9
115.03954	2.7
119.08615	9.6
121.06561	3.3
121.10117	8.1
123.08070	13.7
125.06023	4.9
127.03905	3.1
129.05492	4.0
131.08539	1.7
133.05005	4.7
135.08063	6.5
135.11716	3.6
137.05989	3.7
137.09602	17.5
143.07031	4.5
145.04948	3.3
145.10146	4.9
147.04425	6.0
147.08035	10.4
149.13214	2.0
157.10168	1.7
159.11725	20.1
161.09604	2.0
162.10464	1.9
163.11198	23.0
163.70551	1.7
165.09117	30.6
170.51323	1.6
177.12810	11.1
181.08659	2.1
181.12219	3.6
187.11159	5.0
205.12253	41.7
206.12665	3.6
210.59245	1.9
222.46625	1.7
223.13290	100.0
224.13705	2.6
264.15695	2.0
496.62262	1.7
552.16437	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	5.5
71.31390	3.1
79.05499	8.3
81.07066	44.6
91.05474	5.1
93.07054	5.7
95.04942	4.0
95.08632	2.3
95.91180	2.5
105.07065	5.3
106.61104	2.3
107.08615	3.5
109.06493	17.8
111.04536	2.9
111.08131	2.3
117.07041	9.2
119.08594	9.3
121.06540	3.5
121.10105	3.0
123.04490	3.0
129.07036	4.0
131.04950	7.0
131.08569	8.3
132.05263	2.5
133.06494	3.2
133.10144	3.6
135.04388	2.3
135.08047	4.5
137.05986	53.9
138.06453	2.6
139.07442	3.2
141.07002	2.3
143.08591	7.0
145.06508	2.5
145.10138	6.9
146.88141	2.4
147.04362	2.4
155.08534	4.6
157.10117	2.9
159.08133	3.0
159.11693	11.5
163.07538	3.5
165.05602	3.4
165.06998	2.9
167.07066	2.8
169.10161	10.7
171.11595	2.7
173.09657	6.8
177.05521	2.7
177.09140	3.0
181.10176	3.1
184.07329	4.0
185.09637	2.5
187.11189	11.1
189.09198	3.8
195.11789	2.8
200.68349	2.6
201.09105	4.6
205.12215	2.5
211.14836	3.0
213.12695	2.3
214.58290	2.3
215.10785	3.0
229.08698	4.7
229.15768	2.6
230.87521	2.2
243.10207	2.9
250.05997	2.7
261.31003	2.6
263.07156	2.5
265.08426	2.6
282.08896	4.2
283.06097	3.1
293.07892	2.7
295.13336	2.9
301.11050	2.4
308.10269	3.9
309.07773	2.4
312.09851	2.6
313.10910	3.4
314.11618	3.1
318.11008	2.5
322.11871	2.5
323.12863	3.7
325.10773	2.4
332.12491	3.3
333.07410	2.6
335.09415	3.9
337.14447	7.1
338.15283	5.0
354.10577	4.5
355.15482	4.9
361.18112	3.7
369.16928	4.4
370.17801	8.5
375.19577	3.3
379.19086	6.1
386.17429	2.9
401.19620	55.4
402.19656	2.9
421.20264	10.8
439.21176	100.0
440.21545	10.0
455.24258	4.8
457.22220	67.4
458.22275	6.5
463.20795	5.0
464.51273	2.2
481.22110	8.5
488.06094	2.5
499.22925	9.1
552.26440	4.4
552.35144	9.2
553.24982	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.1
53.03718	0.5
53.03947	5.5
61.69417	0.4
66.71661	0.4
68.22064	0.5
70.87281	0.6
70.87623	0.8
74.44536	0.4
77.03902	0.6
81.03404	0.7
82.13715	0.4
85.93497	0.5
95.04965	5.5
105.03391	100.0
105.04541	3.0
106.03721	2.4
116.35162	0.4
136.53932	0.6
179.80115	0.4
250.83344	0.4
326.49124	0.5
361.70538	0.5
369.16739	0.7
385.50598	0.5
399.18115	0.7
401.19559	0.6
507.24002	2.4
553.27954	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76281	0.2
55.70439	0.2
56.05029	0.7
58.06624	0.5
59.07390	0.2
60.08165	6.2
63.19399	0.2
67.05503	0.5
69.63132	0.2
70.06612	0.2
71.07376	3.1
71.30450	0.3
79.05495	0.4
81.07058	0.4
86.09706	30.4
86.14198	0.2
87.10043	0.4
93.07024	0.2
95.08608	0.2
98.98463	3.3
104.10742	3.5
105.07049	0.2
105.23759	0.2
107.08594	0.2
125.00005	21.4
130.65417	0.2
141.89325	0.2
184.07343	100.0
185.07689	1.4
230.96367	0.2
258.11111	0.3
367.18723	0.6
446.23209	0.2
464.24078	2.0
500.31046	0.3
518.32562	1.2
534.31073	0.2
552.28632	2.2
553.27728	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.33
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.3
56.04996	1.0
58.06580	0.6
59.79837	0.2
60.08164	7.1
61.77223	0.2
62.14753	0.3
66.77550	0.2
67.05460	0.7
70.50781	0.3
70.51093	0.4
71.07371	3.3
78.45990	0.3
79.05463	0.7
81.07018	1.0
83.04960	0.6
86.09707	32.0
90.17416	0.2
91.05451	0.6
93.06998	0.7
95.04921	0.3
95.08597	0.6
98.97877	0.3
98.98467	3.5
101.05450	0.2
101.21632	0.2
104.10749	9.3
105.07000	0.7
107.08575	0.6
111.04411	0.3
117.06981	0.5
117.17653	0.3
119.08530	0.3
121.06441	0.3
121.10078	0.4
125.00011	21.6
131.08617	0.5
133.10069	0.4
143.08530	0.4
145.10107	0.4
147.11681	0.4
151.11226	0.3
151.26828	0.3
159.11679	0.3
161.09560	0.3
171.11687	0.4
181.10120	0.5
184.07347	100.0
185.07727	1.2
210.10550	0.3
223.14830	1.3
225.50574	0.3
258.10919	0.3
450.82822	0.3
452.24472	0.5
459.25134	0.3
490.26471	0.5
506.26193	0.3
516.32861	0.3
517.24426	0.3
534.24493	0.5
534.32593	1.7
535.25946	1.1
552.26215	9.2
552.33881	1.0
553.26947	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77638	0.2
55.05510	0.3
56.05036	0.7
57.03434	0.2
58.06639	0.6
59.28525	0.1
59.83047	0.1
60.08167	6.5
67.05505	0.4
69.07056	0.2
69.11096	0.5
69.11519	0.6
71.07373	3.0
76.40916	0.2
79.05499	0.4
79.45987	0.1
81.07072	0.6
83.04960	0.2
86.09707	32.3
87.10046	0.4
91.05498	0.5
93.07066	0.5
95.04974	0.2
95.08617	0.4
98.98469	3.8
104.10744	4.5
105.07060	0.5
107.08593	0.2
109.06533	0.4
114.59844	0.1
117.06984	0.2
119.08619	0.2
125.00008	22.2
131.08551	0.2
133.10146	0.2
137.05998	0.2
138.58961	0.2
143.00984	0.2
145.10144	0.2
155.08531	0.2
157.10083	0.3
161.09671	0.2
161.16315	0.1
181.04948	0.3
182.05290	0.2
184.07346	100.0
185.07707	1.5
223.14914	0.7
258.10944	0.5
386.05670	0.2
441.26141	0.6
452.23935	0.6
457.21194	0.2
481.21338	0.2
499.22687	0.5
514.37109	0.2
517.23615	1.1
534.31860	1.4
535.24750	0.3
552.24634	0.8
552.32935	1.4
553.27087	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04761	6.9
50.79935	6.7
53.03949	15.1
55.01849	11.8
55.05518	35.4
57.03429	9.5
57.07066	8.5
65.85453	7.4
67.05482	36.5
69.03420	35.0
69.07063	55.6
69.17000	13.1
69.17401	50.6
71.04982	25.7
79.05489	38.0
81.07059	80.0
83.04963	21.4
83.08622	11.3
85.02903	20.7
85.06544	10.1
91.05481	27.8
93.07032	83.8
94.03613	8.8
95.04976	15.9
95.08600	55.0
97.02889	14.1
97.06515	9.9
97.10163	56.6
99.62748	7.8
105.07017	41.2
107.08595	68.9
109.06522	26.2
109.10135	48.4
110.78536	7.2
111.08038	14.3
111.11695	10.8
117.07028	14.0
119.08552	34.9
121.06522	15.5
121.10137	96.4
123.08105	11.6
123.11691	18.4
124.86549	7.7
125.09584	23.9
131.08527	15.8
133.06436	8.6
133.10130	23.7
135.08046	12.5
135.11722	39.6
136.01326	6.8
137.05983	21.2
137.09624	13.3
139.07556	17.1
139.11169	30.1
141.06819	7.7
143.08502	17.1
143.10674	23.6
145.10109	31.5
147.07974	11.0
147.11671	18.1
149.09637	10.7
149.13266	21.9
153.12738	11.4
157.10107	13.9
159.11671	20.4
161.09618	15.7
161.13220	9.7
163.11177	21.0
175.11125	14.3
177.12753	10.3
181.12204	28.3
225.09166	7.9
273.22095	10.4
275.20096	22.3
291.23184	12.7
293.21085	55.4
301.21680	18.5
307.22580	11.5
319.22565	35.3
325.23544	9.2
337.23810	50.0
353.26617	18.8
421.19910	12.0
453.22369	9.1
468.20718	10.5
499.22986	27.1
517.24219	15.7
552.24609	43.6
552.32642	26.1
553.25537	100.0
553.33484	32.0
561.56049	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78087	6.8
53.03948	7.5
55.01505	5.5
55.05510	33.0
55.26193	5.8
57.07068	9.0
61.16891	6.2
67.05511	44.1
67.30750	5.6
69.07072	38.7
70.48620	18.5
79.05505	20.4
81.07055	63.9
83.08607	13.1
91.05479	23.9
93.07037	45.5
94.06538	9.0
95.04983	30.7
95.08613	80.6
97.06541	6.6
97.10177	20.5
105.07028	45.3
107.04933	11.1
107.08608	44.5
109.06505	18.0
109.10158	40.2
110.10508	6.0
119.08591	30.5
121.06541	7.9
121.10154	29.6
123.04409	18.9
123.08083	20.4
123.11701	21.5
125.09637	15.8
131.08549	22.4
133.06467	28.2
133.10181	14.3
135.11731	32.6
137.05991	95.5
137.09625	7.7
145.10117	24.2
147.11656	17.8
148.05202	23.5
149.13249	36.4
159.11691	21.5
160.05177	25.8
161.13205	11.4
163.07550	7.1
175.11180	39.2
187.14807	18.3
191.17928	43.9
201.16447	30.5
202.17198	73.2
203.17957	25.2
205.12242	11.7
207.13829	50.4
219.17480	100.0
220.18016	10.5
221.19048	46.8
231.13777	8.4
262.25305	58.0
280.26389	13.3
315.19412	9.3
327.16211	8.8
341.17514	55.4
353.17438	50.0
355.19031	27.0
369.20245	8.7
411.29135	6.8
421.23938	8.7
439.24731	34.8
493.29407	11.7
517.33136	17.8
535.34033	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.05507	7.4
56.05028	4.3
56.14345	1.1
57.07079	4.3
57.61731	1.1
60.04515	3.1
67.05500	15.2
68.05038	2.0
69.07069	8.5
70.06591	2.0
71.08614	2.8
71.29417	1.5
73.33647	0.9
79.05493	12.8
80.05022	3.5
81.05801	2.7
81.07060	13.1
82.06577	10.2
83.04978	1.2
83.08630	6.7
90.51874	1.1
91.05484	11.5
93.07035	11.8
94.06564	22.4
94.07114	1.9
95.04973	2.5
95.07349	12.6
95.07885	1.4
95.08088	1.1
95.08604	10.2
96.08133	6.1
97.10132	2.0
105.07024	8.1
107.08574	7.2
107.23940	0.9
108.08099	3.5
109.10155	3.2
119.08583	6.2
121.08847	1.2
121.10168	6.4
121.10887	1.1
122.09672	3.7
123.11717	1.2
133.10124	3.8
135.11700	3.0
147.11705	1.6
161.13271	1.1
233.22633	4.4
245.22632	3.5
250.25319	12.8
262.25296	100.0
263.25635	2.7
272.25821	4.6
280.26312	9.2
456.36377	1.1
504.47678	3.8
516.47748	8.8
534.48737	3.5
568.02576	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78741	0.3
55.01867	0.3
57.03423	0.9
59.64428	0.3
61.02922	0.4
67.87936	0.3
69.03416	1.6
69.49457	0.9
69.49868	0.6
71.01358	0.4
73.02920	1.8
73.89655	0.2
81.03394	0.5
85.02907	3.4
87.04453	0.4
87.31577	0.3
90.94182	0.3
97.02888	1.7
98.22619	0.3
109.02878	0.9
115.03925	0.8
127.03911	100.0
128.04269	1.5
133.04955	0.8
145.04907	0.6
157.05092	0.3
166.04988	0.4
183.06627	0.3
215.96385	0.3
235.01851	0.3
289.09155	4.9
292.41891	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44121	2.1
69.14206	18.9
76.01696	1.9
86.16872	2.2
105.03423	3.3
125.41978	2.2
161.64580	2.3
222.46983	2.1
239.10681	3.1
241.08803	2.7
255.06624	2.7
255.10243	2.3
267.10275	5.6
268.07202	3.4
269.08139	3.2
277.08615	2.9
281.08133	2.3
282.08633	2.7
283.09744	2.4
284.06906	3.6
285.07654	3.3
293.08276	3.0
294.08691	2.7
295.09747	7.0
297.11130	4.9
299.09286	7.5
300.09912	4.0
309.11349	3.3
310.11920	4.5
311.09259	3.5
311.12756	3.4
312.10013	4.0
312.13684	2.5
313.10779	6.3
315.08731	3.7
315.12247	3.1
325.10617	13.2
326.11426	3.5
327.08615	8.1
329.10120	3.3
340.12927	19.6
341.10245	3.5
341.13895	7.9
342.11050	12.5
343.11710	4.1
351.12506	6.9
356.12531	7.1
366.14725	4.4
371.14960	28.0
373.12665	7.8
385.16446	6.5
397.16626	3.5
400.14633	4.4
415.17490	33.4
448.45343	2.5
453.13315	7.3
553.18359	100.0
554.18591	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83721	2.7
65.68953	2.6
66.25262	2.6
69.05466	18.6
69.05879	5.9
74.09716	12.3
77.00705	2.6
79.64812	2.8
100.62882	2.6
105.03398	9.6
140.90019	2.6
143.06741	3.0
231.06110	3.2
335.00122	2.8
355.15482	5.8
385.96655	3.0
415.17542	4.9
553.18335	100.0
554.18909	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01858	1.7
55.05513	6.9
59.05003	0.5
61.91982	0.5
65.03922	1.3
67.05507	3.0
69.03426	8.0
69.07047	1.7
71.08459	0.6
73.06549	1.8
79.05495	15.5
81.03421	1.7
81.07058	75.3
82.07391	1.3
83.04971	1.7
85.02890	2.1
86.07606	0.5
91.05484	10.2
93.07046	6.8
95.04973	4.9
95.08582	3.0
97.02888	1.7
97.06543	5.6
101.06013	2.4
103.05441	1.5
105.03415	0.8
105.04508	0.9
105.07031	6.3
107.04986	3.1
107.08584	4.7
109.02872	0.7
109.06521	27.9
109.10137	0.6
111.04453	2.7
111.08087	1.9
113.02379	4.4
115.05460	2.2
115.95047	0.6
116.06238	1.1
117.07029	3.2
119.04961	2.2
119.08579	4.8
121.06509	3.8
121.10145	0.9
123.04436	2.6
123.08073	3.7
125.06018	2.1
127.03973	0.8
127.07527	1.3
128.06233	2.4
129.07019	3.9
131.04942	2.5
131.08556	5.8
132.91766	0.6
133.06496	3.1
133.10185	0.9
135.04410	1.0
135.08038	5.7
137.05980	100.0
138.06361	2.0
139.03940	1.0
139.07567	3.1
141.06985	2.0
143.08582	3.8
145.06488	3.7
145.10092	2.1
147.04471	1.4
147.08067	5.9
149.05989	2.1
149.09639	0.9
151.03941	1.1
151.07552	2.3
152.04173	0.6
153.07040	1.3
153.09129	1.7
153.25397	0.6
154.07733	1.0
155.07065	10.6
155.08563	5.9
157.06499	1.6
157.10208	2.0
158.07249	1.4
159.08047	4.7
161.05984	2.7
161.09610	1.8
162.06740	0.6
163.03918	0.7
163.07559	5.8
165.05609	1.0
165.07040	2.8
165.09103	1.0
166.07762	1.8
166.50122	0.6
167.07039	2.1
167.08574	2.9
169.06444	1.6
169.10158	2.8
171.08072	4.1
171.11705	0.9
173.05974	2.0
173.09653	2.2
175.03874	0.6
175.07556	6.0
177.05534	0.9
177.09116	1.1
178.07797	1.8
179.07079	1.7
179.08592	3.2
180.09337	1.5
181.06506	1.3
181.08601	4.1
181.10162	3.0
182.07274	1.4
182.11029	0.7
183.06667	0.8
183.08002	3.3
185.06027	1.0
185.09570	3.1
187.07539	3.2
189.05505	1.2
189.09164	1.9
190.07797	1.2
191.07031	2.6
191.08609	2.4
192.09297	1.5
193.08595	1.5
193.10176	3.0
194.07367	0.9
195.08055	4.1
195.11734	1.4
196.08894	1.3
197.05986	1.7
197.08052	1.3
197.09656	3.2
198.06802	1.3
199.07655	2.7
199.09483	1.2
199.11247	1.6
201.05446	1.2
201.09085	5.2
202.07773	1.4
203.07004	1.0
203.08694	1.2
203.10667	1.7
204.09389	1.1
205.08430	0.8
205.10170	1.5
206.10994	1.1
207.08049	1.9
207.11732	1.0
208.08917	1.4
209.06111	1.0
209.09662	5.0
209.13240	1.1
210.10422	1.1
211.07683	2.5
211.11218	2.2
212.08311	1.1
213.05466	1.0
213.09120	2.9
213.12714	0.7
215.06909	1.0
215.08815	0.8
215.10735	1.6
217.08574	1.8
217.10387	1.3
217.12260	0.7
218.10933	1.5
219.08151	1.6
219.09998	1.0
219.11835	0.8
220.08879	1.6
221.09682	3.3
221.13283	1.6
222.06776	0.7
222.10373	1.4
223.07596	2.6
223.11165	3.2
224.08420	0.9
224.11884	0.9
225.09113	2.9
225.12769	1.3
227.07089	1.2
227.10680	2.2
229.08444	3.0
229.12305	0.9
231.08055	1.3
231.09924	0.8
231.11867	1.0
232.08884	1.5
233.09717	3.1
233.13423	1.0
234.06697	0.7
234.10454	2.1
235.07588	1.3
235.11371	2.8
236.08351	0.8
237.09204	2.4
237.12744	1.9
238.09906	1.0
239.07033	1.3
239.10760	3.6
239.14258	0.7
240.07822	0.8
240.11511	0.7
241.08641	1.5
241.12292	1.4
243.10002	1.0
245.09724	1.1
246.10370	0.8
247.11238	2.4
249.09177	2.5
249.12825	1.6
250.09872	1.1
251.06908	0.8
251.10680	4.1
251.14461	1.5
252.11533	1.5
253.08672	1.2
253.12291	2.4
255.10217	1.9
255.14079	0.8
257.11691	1.0
259.11435	0.8
260.11713	0.7
261.09106	1.6
261.12802	2.1
262.09918	1.7
263.10681	2.4
264.11816	0.8
265.08575	3.8
265.12311	1.7
266.09521	1.0
267.10245	2.2
267.13934	0.7
269.11734	1.3
277.09064	0.8
277.12350	1.7
279.10239	3.4
279.13812	2.4
280.10846	3.5
281.11655	2.7
283.09738	1.9
283.13257	1.1
285.11401	1.4
287.14352	0.6
289.12241	1.9
289.16019	0.6
291.10153	0.7
293.08249	1.3
293.11670	1.3
295.09695	1.2
295.13223	1.0
297.11407	2.7
298.12009	1.5
299.12991	1.1
301.10730	0.9
305.15381	1.1
307.09946	0.8
307.13284	3.1
308.10641	1.4
309.11319	1.9
311.14044	0.9
317.11505	0.9
323.12869	0.7
323.16370	0.9
325.10791	1.2
325.14551	2.6
326.11511	1.7
327.12866	0.9
328.14737	0.6
329.10413	0.7
329.15131	1.3
331.13391	1.2
333.07904	0.7
333.14996	0.8
335.09476	3.0
335.12985	1.7
343.16022	1.1
344.12769	1.0
345.14093	0.7
347.16476	1.5
353.14252	2.5
357.14682	0.8
359.12589	0.7
359.16675	1.0
361.17792	1.3
365.17725	0.8
371.15558	3.7
375.16110	1.5
377.17688	1.0
381.14096	0.8
389.17407	4.7
391.20718	0.5
393.17084	3.1
399.16119	2.9
403.15707	1.1
407.18286	3.8
411.17950	1.3
417.17017	7.9
418.17239	1.0
421.16461	2.6
421.22046	2.2
425.19864	0.9
427.15442	1.5
435.18054	11.1
439.17523	2.2
445.16229	4.3
446.16360	0.6
453.19122	12.6
454.19189	0.7
457.18567	0.8
463.17465	11.0
471.20178	4.9
475.19653	2.0
481.18613	15.3
499.19626	12.7
500.19812	0.7
517.20703	13.7
518.21033	1.0
535.22131	2.4
543.28418	0.7
553.26324	62.7
554.26648	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.239
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83882	0.5
81.31618	0.2
105.07028	0.6
115.05452	2.7
117.05764	1.2
117.07046	0.4
118.06548	0.3
130.06519	0.3
132.08084	4.0
133.06506	0.8
142.06511	0.9
143.07307	0.3
159.06734	0.4
160.07576	100.0
161.07906	2.8
177.10237	13.4
180.34531	0.3
274.01874	0.3
375.06265	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31976	0.4
55.05496	0.5
59.46371	0.4
65.25191	0.5
71.30761	0.6
81.07041	0.5
85.61909	0.5
93.07041	0.7
95.08554	0.5
105.07019	0.5
116.13284	0.4
119.08533	0.9
136.27960	0.5
143.08585	0.7
145.10033	0.5
159.08058	0.4
163.07646	0.5
200.44528	0.4
211.11200	0.5
215.89804	0.4
227.10579	0.6
227.14310	0.5
298.95569	0.5
367.18729	7.4
417.74838	0.5
418.44110	0.5
447.24890	0.5
465.26044	4.4
495.23209	0.9
535.24927	0.6
553.25385	100.0
554.25757	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2561
Annotation	Oboflavanone B
Peak:m/z	Relative Intensity
54.31976	0.4
55.05496	0.5
59.46371	0.4
65.25191	0.5
71.30761	0.6
81.07041	0.5
85.61909	0.5
93.07041	0.7
95.08554	0.5
105.07019	0.5
116.13284	0.4
119.08533	0.9
136.27960	0.5
143.08585	0.7
145.10033	0.5
159.08058	0.4
163.07646	0.5
200.44528	0.4
211.11200	0.5
215.89804	0.4
227.10579	0.6
227.14310	0.5
298.95569	0.5
367.18729	7.4
417.74838	0.5
418.44110	0.5
447.24890	0.5
465.26044	4.4
495.23209	0.9
535.24927	0.6
553.25385	100.0
554.25757	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68770	0.4
51.11900	0.3
54.47656	0.3
65.33051	0.4
66.31760	0.4
69.63074	1.9
81.07056	0.4
86.09724	0.9
98.23393	0.4
170.57144	0.4
184.07324	1.8
185.07687	0.4
201.57228	0.4
210.27101	0.4
248.99945	0.4
383.18320	3.1
421.42465	0.4
423.25018	2.7
424.25449	0.4
433.23386	2.7
453.17410	0.4
465.26260	1.4
491.27487	1.8
495.23499	1.1
509.28531	0.8
535.26233	1.6
553.26660	100.0
554.26923	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08344	0.4
55.05502	0.5
57.65643	0.3
63.52255	0.3
66.93212	0.3
67.05520	0.3
69.03423	0.4
69.07069	0.5
69.20570	2.4
79.05478	0.7
81.07046	1.0
91.05470	1.0
93.07046	1.1
95.08599	0.7
97.06508	0.4
105.07063	0.8
105.96642	0.4
107.08582	1.0
108.68070	0.3
109.06519	0.5
109.10169	0.4
119.08606	0.7
123.08082	0.5
133.10185	0.7
137.05943	2.0
143.08586	0.5
145.10158	0.8
151.07568	0.5
153.01843	0.6
161.06064	0.4
161.09496	0.4
167.07048	1.0
181.08646	0.5
184.07349	0.5
186.05501	0.4
191.03474	0.4
203.05325	1.3
221.11687	0.6
242.79776	0.3
275.07309	1.8
303.04688	0.3
314.35944	0.4
333.07886	1.1
335.09479	31.8
336.09827	1.0
356.15814	0.6
375.18240	0.6
391.21036	0.6
402.20010	0.8
412.22360	0.4
421.22031	1.9
442.26642	0.8
500.23526	0.9
509.34576	0.4
521.21307	1.0
535.26617	0.7
553.26147	100.0
554.26501	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94398	0.3
54.20664	0.4
69.03433	0.4
96.83834	0.3
105.07004	0.6
111.88055	0.3
137.05963	1.5
145.10175	0.3
147.04483	0.3
151.03960	0.7
151.07481	0.5
161.05914	0.3
163.07541	0.5
167.07111	0.8
177.05424	0.4
178.94148	0.3
179.07149	0.3
181.05064	0.3
181.10201	0.3
182.15514	0.3
192.32825	0.3
197.14009	0.3
198.62062	0.3
207.15370	0.3
297.11176	0.3
317.08310	0.6
335.09546	1.1
353.26703	0.4
359.99081	0.3
391.20526	0.4
421.21927	5.7
422.22549	0.5
535.25262	0.5
553.26190	100.0
554.26550	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
69.90521	0.2
70.62666	0.7
79.05490	0.3
81.07059	0.3
88.69051	0.3
91.05488	0.4
105.07021	0.3
131.04916	0.5
137.05969	1.5
147.04375	0.3
151.03941	0.3
160.89021	0.2
161.05978	0.4
168.85745	0.2
218.05342	0.3
283.09436	0.2
326.56873	0.3
333.07874	0.8
335.09430	3.2
338.15259	0.4
353.16876	0.2
383.18234	0.6
391.12137	0.3
401.19626	0.5
402.19882	1.2
421.21964	6.7
422.22388	0.8
462.10446	0.3
491.27744	1.3
495.22977	0.4
507.23792	0.2
509.28848	0.4
535.26154	0.9
553.26270	100.0
554.26569	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2636
Annotation	Tricalysioside G
Peak:m/z	Relative Intensity
55.01885	1.1
55.05527	1.0
67.05511	1.0
69.03428	9.5
70.87406	0.7
71.08334	1.3
73.02921	4.2
79.05523	2.1
81.07083	1.5
89.68539	0.9
91.05505	3.4
91.86964	0.7
93.07064	2.1
94.04202	1.6
95.04982	1.0
95.08612	1.5
97.02926	0.8
100.11284	1.5
101.12462	0.8
103.05497	1.6
105.03365	1.5
105.07061	2.3
109.06558	1.9
111.04491	0.9
111.08106	0.7
115.05473	1.0
119.04939	0.8
119.38798	0.8
119.64403	0.8
121.06531	1.3
121.10190	1.4
122.03680	2.8
123.04508	1.4
123.08120	2.1
128.07117	0.9
129.07024	1.3
130.88780	0.7
131.04955	2.5
131.08568	1.2
133.06577	1.1
135.04433	0.9
137.05978	30.5
139.07536	7.0
147.04453	1.5
149.06030	2.9
151.03952	2.8
151.07552	1.5
155.08565	1.1
157.10170	0.7
161.05975	5.9
163.07616	1.7
165.05670	0.9
165.07045	0.7
167.07098	1.0
171.08081	2.4
173.09647	1.4
175.07515	1.3
177.05458	1.0
178.09979	0.9
179.08560	0.9
185.06003	0.9
194.07365	1.0
195.08191	2.2
203.06992	1.4
210.15096	0.9
219.10091	1.3
220.12567	0.8
221.07983	1.3
234.06914	1.2
235.07675	1.1
235.11099	0.7
237.09088	1.3
237.12868	2.4
249.09425	1.3
251.07150	0.8
253.08589	1.3
257.04623	0.8
263.07120	1.2
265.08743	2.0
265.12448	1.5
271.09888	0.8
275.07138	0.9
277.08740	2.7
279.10272	1.1
283.09735	1.9
285.11203	4.1
287.14441	0.9
291.13950	0.9
297.11481	3.5
307.09955	0.8
309.11359	3.8
315.13904	0.8
321.11230	1.3
323.09329	1.0
333.14920	1.4
335.09503	10.8
335.12772	1.1
347.20163	1.1
351.16144	0.9
357.18564	1.4
369.12750	0.7
373.14709	1.3
375.19711	2.6
391.20898	2.9
393.20587	1.6
401.13861	1.8
403.19290	3.2
421.20233	14.0
422.20746	1.0
427.19672	0.9
433.16437	4.5
439.21030	5.8
445.20444	1.7
457.22406	2.7
459.14688	1.4
461.16360	0.9
463.21396	3.3
473.16345	1.5
475.23499	1.1
481.22427	3.3
487.17776	2.4
493.18686	1.7
499.23273	1.5
505.18585	4.9
517.24994	1.3
553.26257	100.0
554.26611	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.2
63.93365	0.2
65.16988	0.2
65.28130	0.2
67.05486	0.2
68.15485	0.2
79.20199	0.2
83.04924	0.3
88.99268	0.2
91.84186	0.2
105.06962	0.2
133.02620	1.4
150.45107	0.2
157.10146	0.3
179.94597	0.2
206.44835	0.2
228.11067	0.3
269.15054	0.5
279.17123	0.2
283.17108	0.2
309.18155	0.2
325.17566	0.2
337.17670	0.7
351.19260	1.0
360.64862	0.2
365.17133	1.3
367.18793	30.2
368.19110	2.1
381.20413	2.5
382.20880	0.2
405.24460	0.3
409.19464	0.3
419.25385	0.6
421.27332	0.4
423.25198	1.3
437.26608	0.8
447.25061	1.2
461.26501	0.2
463.24863	0.3
465.26129	4.2
466.26440	0.4
473.26468	1.7
474.27231	0.3
491.27628	2.4
493.25723	0.5
494.25778	0.2
509.28699	0.5
535.26611	2.9
553.27692	100.0
554.28015	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.5
61.38342	0.3
69.81904	0.6
69.82320	0.7
83.04979	1.1
89.53394	0.3
98.23271	0.3
105.11983	0.2
108.39229	0.3
111.00537	0.3
116.51270	0.3
133.02641	1.0
145.10146	0.3
161.05714	0.3
229.79520	0.3
242.16380	0.3
269.15176	0.5
323.19693	0.3
337.17636	0.5
351.19333	1.0
365.17102	1.3
367.18784	27.9
368.19022	2.0
381.20197	2.0
405.23962	0.4
419.25687	0.7
421.27155	0.5
423.25192	1.3
428.07916	0.3
437.26749	0.8
447.24960	1.3
453.22751	0.3
465.26080	4.2
466.26926	0.3
473.26538	2.2
491.27829	2.1
493.25348	0.5
535.26599	2.8
553.27692	100.0
554.28027	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12531	0.2
56.25800	0.3
56.51160	0.2
59.08252	0.2
59.71226	0.2
61.71701	0.2
69.14419	1.0
69.14844	0.9
69.36973	0.2
69.59806	0.2
74.94798	0.2
83.04961	0.2
84.25690	0.2
88.44408	0.2
89.95474	0.2
93.93114	0.2
105.03450	0.3
107.99045	0.2
112.14938	0.2
152.63034	0.2
270.66711	0.2
298.85361	0.2
325.51431	0.3
367.18802	2.3
368.19376	0.3
379.18723	0.3
381.16708	0.3
397.19714	1.1
473.26758	1.3
491.27780	2.2
492.28079	0.3
509.29166	0.3
517.24951	0.4
535.26605	7.1
536.26990	0.7
553.27661	100.0
554.28021	10.1
563.95496	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.4
74.09718	2.2
81.07047	1.0
84.65794	0.8
98.22556	1.9
108.87849	0.9
110.27272	1.0
134.92297	1.0
337.17612	1.5
349.21384	2.9
360.24066	1.0
367.18863	4.6
405.27658	17.8
406.27805	1.5
407.25549	99.0
408.25946	7.6
421.27011	2.1
449.26624	34.2
450.26929	2.7
451.24380	2.4
465.25925	1.7
491.27686	100.0
492.28131	9.7
553.27704	15.5
554.28058	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.278
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
55.05518	0.4
63.96822	0.3
64.00145	0.4
69.03464	0.9
69.32066	2.3
70.00793	0.3
70.63979	0.3
72.35883	0.3
75.12502	0.3
76.31628	0.3
79.05531	0.3
90.60394	0.4
91.05508	0.4
92.13354	0.3
95.15135	0.3
133.02695	0.7
137.06050	1.2
139.07622	0.7
151.07562	0.3
156.54710	0.3
161.05988	0.4
167.07190	0.4
168.26752	0.4
266.68839	0.4
335.09787	0.4
369.20667	1.3
370.20801	0.4
383.18362	3.1
397.16406	0.5
421.20441	0.8
447.21622	0.4
464.22070	0.4
470.22861	0.4
473.26517	0.7
482.22830	0.4
491.27695	8.6
492.28003	0.8
509.28864	12.4
510.29349	1.3
516.60803	0.4
518.24890	0.4
535.26611	0.5
547.41168	0.4
553.27850	100.0
554.28241	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05445	0.5
69.07030	0.5
69.12403	3.6
69.12807	1.1
78.97945	0.5
81.07035	0.7
82.98849	0.6
88.05171	0.4
93.06995	0.7
95.08573	1.0
105.06982	0.8
109.10112	0.7
119.08540	0.7
121.88336	0.5
126.99980	1.6
133.10094	0.7
143.08531	0.7
145.10010	0.5
157.10118	1.1
159.11671	1.0
160.98492	0.5
161.13187	0.6
171.11610	0.7
185.13246	0.8
199.14784	0.6
349.21237	0.9
367.18848	2.8
405.27689	1.0
407.25552	59.2
408.25873	4.8
409.22781	0.6
410.18527	0.5
449.26617	100.0
450.26984	10.6
465.30768	3.0
467.27747	1.9
509.28763	14.0
510.28961	1.4
553.27704	60.7
554.28107	6.0
571.03015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50404	1.0
70.50754	0.6
76.82286	0.5
86.09749	0.6
91.05467	0.7
104.10741	1.1
119.08639	0.6
184.07387	1.3
199.02625	0.4
325.14053	0.6
353.17529	0.5
383.18390	3.8
423.25232	0.8
433.23483	4.4
451.24521	1.1
463.24783	0.8
465.26355	0.7
473.26608	1.0
491.27719	2.2
495.23703	2.2
497.33301	0.4
499.24091	0.5
509.28381	1.2
521.98383	0.5
535.26074	2.7
536.12012	0.5
553.26923	100.0
554.27179	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2774
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
55.05506	0.5
56.55489	0.3
61.82727	0.3
67.05529	0.7
67.61285	0.3
69.07075	0.5
71.60105	0.3
79.05497	0.6
81.07062	0.9
83.04980	0.5
86.09725	0.8
90.78894	0.3
91.05489	0.5
92.90337	0.4
93.07075	0.7
95.04996	0.4
95.08621	0.6
97.10168	0.3
97.99702	0.3
104.10783	1.4
105.07067	0.6
105.11111	0.4
107.08613	0.3
118.36330	0.3
119.08599	0.5
121.06481	0.3
121.10155	0.3
123.08098	0.5
125.00031	0.6
125.09621	0.5
129.07037	0.3
131.08601	0.3
133.02672	0.6
133.10185	0.4
137.09747	0.3
143.08606	0.3
145.10130	0.5
149.51041	0.2
161.17540	0.3
163.04095	0.3
175.07486	0.5
180.35539	0.3
184.07272	1.5
185.07857	0.3
193.12999	0.3
197.13315	0.3
213.09207	0.3
223.14969	0.4
224.15309	0.4
229.20007	0.4
245.11540	0.6
351.19443	0.4
355.15253	0.7
365.17679	0.3
367.62491	0.3
369.16669	1.3
370.17227	0.4
383.18161	1.5
385.16122	0.5
397.19989	0.6
399.17761	1.0
413.23352	0.6
433.23813	0.5
461.26614	0.6
473.26645	0.7
479.27744	0.7
491.27829	2.0
505.25687	0.9
509.28647	2.5
523.26697	4.9
524.27209	0.5
535.26569	3.2
553.27783	100.0
554.28101	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.4
74.09718	2.2
81.07047	1.0
84.65794	0.8
98.22556	1.9
108.87849	0.9
110.27272	1.0
134.92297	1.0
337.17612	1.5
349.21384	2.9
360.24066	1.0
367.18863	4.6
405.27658	17.8
406.27805	1.5
407.25549	99.0
408.25946	7.6
421.27011	2.1
449.26624	34.2
450.26929	2.7
451.24380	2.4
465.25925	1.7
491.27686	100.0
492.28131	9.7
553.27704	15.5
554.28058	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56660	0.3
54.31277	0.4
56.25809	0.3
64.67492	0.3
71.30169	0.3
71.30578	0.6
84.08159	0.4
92.11993	0.3
96.15038	0.4
105.07079	0.3
118.35930	0.4
130.08842	0.4
155.94466	0.3
166.95120	0.3
185.04193	1.9
201.03732	0.8
268.03445	0.4
275.07446	1.4
331.10004	2.0
341.35812	0.4
367.18915	3.4
373.14523	0.4
397.19907	0.5
415.19345	0.9
455.22879	0.4
465.26105	1.7
483.22229	1.5
490.99329	0.5
491.27435	0.5
535.26379	2.5
553.29541	100.0
554.29730	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2982
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
55.88597	0.4
58.78163	0.3
67.05517	0.6
70.55791	0.8
78.28556	0.3
79.05548	0.4
81.07080	0.6
83.01140	1.0
83.05038	0.4
84.08162	0.5
91.05519	0.8
93.07073	0.6
95.01127	0.5
96.01891	0.5
143.08676	0.3
171.08063	0.5
184.03619	0.5
185.04352	1.5
201.03903	1.2
203.05267	2.1
245.81790	0.3
259.07883	2.0
263.17145	0.3
331.10062	2.9
359.13281	0.6
367.18640	2.4
373.06827	0.4
373.14819	0.6
391.24728	0.5
415.19672	1.4
447.25574	0.4
455.22693	0.4
465.26260	1.6
483.22296	1.1
495.23526	0.5
535.29376	0.6
553.30133	100.0
554.30438	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14166	1.6
54.76294	1.4
57.53720	1.4
58.89131	1.4
69.43585	9.4
74.09723	3.7
76.69522	1.4
77.81746	1.4
79.05466	2.2
81.07032	2.8
83.04951	1.6
91.05497	2.2
93.07066	2.7
95.04986	1.8
95.08572	1.5
105.07026	2.2
106.17653	1.5
107.08608	1.9
127.00042	1.5
139.31180	1.6
315.08801	3.8
367.19019	7.5
368.19070	9.0
407.25424	16.9
408.17776	2.1
408.25906	51.7
449.26624	21.5
450.26953	100.0
451.26984	3.2
466.26312	3.1
468.27863	2.5
509.28949	3.2
510.29327	16.9
553.27948	4.7
554.28229	83.2
555.28589	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
61.02917	1.6
69.03425	3.4
70.53618	2.5
71.04968	1.0
76.30920	0.8
81.03412	1.9
81.98561	0.9
85.02895	11.0
91.05466	2.9
94.04190	1.5
97.02881	3.2
98.22582	1.1
99.04431	1.5
103.05472	9.1
109.06503	1.0
117.07034	2.1
119.04934	4.1
122.03645	4.5
125.05948	1.5
127.03951	1.8
128.06218	3.2
129.07018	20.2
131.04927	26.2
131.08569	3.0
137.05972	93.0
138.06316	1.1
145.04955	2.7
145.06496	3.4
146.07253	2.2
151.03925	2.6
151.07533	14.3
153.05495	4.1
157.06499	13.7
158.07236	3.9
159.04428	1.2
160.05251	1.1
161.09578	1.0
163.07550	14.1
173.06041	1.9
174.06757	29.8
175.07375	2.2
177.09128	4.6
180.08527	1.3
187.07536	3.4
189.09099	100.0
190.06366	1.0
190.09421	3.8
191.07066	2.1
197.05890	1.1
201.05507	1.3
203.07004	3.5
205.08669	2.5
206.07111	1.1
211.07607	5.1
213.05450	1.3
215.07043	11.2
225.05594	1.0
228.07793	2.3
233.08075	26.6
234.08528	1.4
239.07120	1.8
240.07817	7.0
251.09207	1.5
256.07269	4.4
271.09656	40.3
272.10101	2.1
279.10257	1.1
307.09747	1.5
311.12802	2.7
313.14340	10.9
339.12289	4.5
357.13342	2.1
399.89084	1.0
504.83466	1.1
508.18896	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.5
55.01880	3.8
65.03944	0.7
69.03432	0.8
70.45273	1.2
71.04998	0.5
81.03436	0.6
84.68019	0.3
85.02914	2.4
89.41897	0.4
91.05507	0.7
93.03412	1.4
95.04976	0.6
97.02887	0.6
99.04456	0.6
99.39899	0.4
102.04679	0.4
103.05471	35.0
104.05806	0.8
107.04920	0.4
111.04436	1.5
115.05465	1.1
117.03384	0.5
117.06998	0.9
118.47405	0.4
120.87536	0.4
121.06485	0.5
121.31311	0.3
125.06008	2.5
131.04932	100.0
132.05276	2.8
137.05974	8.3
143.04906	1.1
145.02960	0.5
145.05156	0.4
145.06459	2.0
149.06006	0.7
151.03857	0.5
153.05472	6.7
159.04404	0.4
160.05182	1.0
161.06010	0.5
163.07545	48.7
164.07892	1.5
166.73190	0.4
175.07568	1.4
176.04680	0.6
177.05476	1.0
177.09143	1.1
187.07552	0.5
191.07022	2.8
203.07014	7.4
205.08672	2.2
221.08224	0.9
233.08076	1.7
249.11215	1.0
357.13226	0.7
389.47476	0.4
502.67551	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83110	1.1
55.01872	2.2
61.02936	1.1
68.73358	0.9
69.01953	10.5
69.03445	1.1
81.03443	1.0
85.02896	6.6
85.06555	1.1
91.05492	1.9
93.07061	1.1
95.08648	1.7
105.07043	3.4
107.08592	1.6
108.55901	0.9
119.04960	1.2
121.06538	2.4
122.03664	2.4
127.03934	1.8
129.07036	1.2
131.05006	1.0
137.05975	33.5
143.04910	2.0
145.05034	1.8
149.06030	3.7
153.05533	4.4
161.05959	20.4
161.07162	1.4
163.07663	1.6
165.07086	3.6
173.60129	1.1
174.06773	2.3
175.07529	6.3
179.07051	3.4
179.08562	1.7
187.07587	1.9
188.04750	3.5
189.09151	2.6
191.06998	2.8
193.06500	6.4
203.07002	13.5
203.08641	1.2
205.08676	3.0
207.08136	1.9
210.06854	2.9
211.07451	1.5
215.07040	1.3
221.05962	15.6
221.07982	1.3
222.06676	1.8
224.08386	2.2
225.05699	1.7
225.09102	17.1
227.07033	1.5
233.08090	12.5
235.07532	3.1
237.09326	1.3
238.06297	5.2
239.06880	1.2
239.10619	2.1
249.09172	2.6
252.07866	3.0
253.08574	31.4
254.09198	2.9
255.06558	1.5
265.08655	1.5
266.09549	1.2
267.10178	10.9
270.08875	4.9
277.08643	5.0
280.07510	1.5
281.11465	1.3
285.11206	92.9
286.11493	5.8
294.09058	1.9
295.09610	6.9
297.11160	9.1
309.11194	11.4
312.09677	1.1
327.12250	100.0
328.12677	6.0
339.12317	2.5
345.13318	80.9
346.13690	4.7
357.13269	6.9
515.58459	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
57.03431	2.2
59.65966	0.6
65.03945	1.2
71.04994	7.1
71.30448	0.8
74.02315	0.7
75.04483	4.4
79.05491	4.6
82.91858	0.7
83.05009	1.4
85.02902	9.5
91.05482	4.9
103.05480	2.0
107.04958	5.1
111.04420	1.0
118.34187	0.7
119.04951	12.6
121.06480	0.8
125.06014	1.3
129.05452	2.1
131.04944	1.4
133.02840	2.1
135.04414	5.4
135.73553	0.7
137.05983	8.4
138.06270	1.2
143.04958	0.9
145.04900	0.8
147.04410	100.0
148.04819	3.4
148.95363	0.7
149.05991	2.8
151.03899	5.6
153.05466	1.5
161.05983	1.5
163.03874	2.2
163.07547	2.7
164.09190	2.8
165.05464	2.9
167.07071	7.9
175.07564	1.1
177.05467	2.9
179.07031	40.4
180.07381	1.2
191.07115	2.0
195.06554	6.1
203.07034	2.1
219.06528	1.0
221.08119	1.4
229.10530	0.8
231.06566	1.3
277.08502	1.3
289.10535	0.7
290.03018	0.7
297.11221	1.1
307.11539	0.8
309.11102	1.2
325.10544	1.5
329.14197	0.8
355.11795	2.6
522.21234	1.3
531.20483	0.7
554.26862	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02636	3.0
69.37151	6.2
69.37554	13.3
77.83455	3.4
90.59379	3.3
98.22621	6.2
105.03432	4.9
107.45934	3.6
108.77613	3.6
118.93314	3.4
138.77815	3.5
151.12836	2.8
227.07117	3.3
239.07008	6.5
240.07828	3.6
241.08693	7.8
251.06853	4.3
252.07803	3.6
253.08752	4.2
254.09164	3.8
267.10120	5.2
268.07434	6.3
269.08179	9.2
278.09354	3.2
279.10175	6.0
280.10687	4.4
282.08948	4.4
282.12405	5.3
283.09686	7.5
284.06757	6.7
285.07706	5.0
293.11832	4.9
295.09662	14.6
297.07709	6.1
297.11111	5.0
298.08371	5.9
299.09097	13.8
301.10510	3.1
309.11243	7.1
310.08600	5.4
310.12027	15.1
311.09064	9.1
312.09991	4.5
313.10742	9.3
315.08484	3.8
315.12427	3.6
320.10419	3.7
321.10941	5.3
325.10767	20.4
326.11542	14.4
327.08551	11.4
327.12152	6.2
329.10135	4.1
340.13031	38.1
341.10098	13.8
341.13800	23.2
342.10901	23.7
343.07990	4.5
343.11783	8.4
351.12234	10.7
356.12381	20.0
358.10416	5.8
366.14651	11.0
371.14890	52.8
373.12805	23.1
383.14801	14.2
384.15460	8.0
397.16476	5.1
415.17523	100.0
416.18057	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63564	2.2
62.97842	2.1
69.16241	14.2
69.16640	4.3
83.73702	2.2
88.59057	2.5
105.03423	4.4
199.88115	2.5
238.56117	2.4
241.08513	5.5
249.09143	2.4
251.06836	2.4
255.06763	2.6
256.07352	2.4
265.08569	5.4
267.06451	2.4
267.10153	6.1
268.07263	4.3
269.08032	7.3
269.11197	2.3
278.09384	2.8
281.08234	2.8
281.11636	2.9
282.08899	3.6
282.12408	3.7
283.09671	3.5
284.06812	7.3
284.10056	2.7
285.07675	4.8
293.08249	3.1
293.11624	4.2
295.09683	10.9
297.07816	5.0
297.11240	12.1
298.08463	3.9
299.09055	13.3
300.09970	6.6
308.10464	3.3
309.11215	6.5
310.08453	2.7
310.11981	4.7
311.09253	5.0
311.12711	6.9
312.09909	7.6
312.13394	4.8
313.10635	8.1
313.13995	3.3
314.11276	2.9
315.08533	4.3
315.12061	3.1
325.10681	20.7
326.11545	9.9
327.08740	12.4
327.11868	2.7
328.09506	3.2
328.13278	3.1
329.10043	4.7
339.12262	3.3
340.13098	45.2
341.10196	5.2
341.13754	12.6
342.10953	27.5
343.08084	3.0
343.11661	11.9
343.15469	5.1
351.12393	5.5
355.15408	3.7
356.12418	6.5
357.13049	4.3
358.10382	3.9
366.14694	6.5
367.15125	2.9
371.14923	77.3
372.15176	4.9
373.12787	20.5
385.16327	12.8
387.18066	8.5
397.16467	10.3
415.17505	100.0
416.17755	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	3.2
53.03948	8.0
54.30112	1.3
59.06101	1.8
71.14981	1.3
77.03938	1.5
77.90228	1.1
81.03407	1.3
86.09698	1.5
95.04965	10.1
104.10728	1.2
105.03390	79.4
105.04542	5.7
105.06997	1.2
106.03692	1.7
121.53378	1.2
160.59621	1.3
161.06346	1.2
171.88080	1.2
184.07370	2.9
195.08006	1.3
203.63365	1.2
223.07825	1.2
224.08353	1.2
237.09245	1.4
240.07851	2.5
251.07091	2.5
253.08684	1.6
255.10271	4.3
256.11023	1.4
257.08209	2.0
265.08551	2.5
266.09402	3.2
267.06512	3.2
268.07269	4.3
268.10956	1.9
269.08096	2.9
279.10117	2.2
281.07880	1.4
282.09097	2.0
282.12393	2.9
282.80392	1.6
283.09695	6.9
284.10272	2.8
285.07684	6.8
293.08463	1.3
293.11896	1.8
294.08923	1.6
295.09628	2.8
296.06799	4.0
296.89981	1.4
297.07648	17.5
297.11053	3.9
298.11890	3.6
299.09332	2.6
299.12723	3.4
300.09891	23.6
308.10486	1.9
309.11203	7.4
310.11841	1.5
311.09122	18.5
312.09924	21.3
312.13391	2.5
313.10571	2.4
313.14282	2.7
314.11325	2.9
315.12247	16.6
323.12817	4.0
324.13632	2.1
325.10739	3.8
326.11502	13.0
327.08475	1.5
327.12042	1.8
328.09311	1.7
329.13751	3.5
330.14532	3.9
336.10233	1.7
337.10587	2.6
340.13013	4.3
341.13821	20.0
342.10745	1.4
342.14404	2.0
343.11768	42.7
343.15799	2.9
344.12189	2.7
351.12366	2.6
352.12897	7.4
355.15317	4.9
357.13287	19.7
358.14081	100.0
359.14517	6.2
366.14600	4.2
367.11600	1.9
368.12735	2.0
369.17047	3.2
383.14856	16.4
384.15350	3.4
387.17871	2.6
397.16467	5.5
415.17511	52.2
416.17889	4.5
483.45557	1.5
505.66440	1.5
554.25885	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49920	1.3
60.04516	3.4
66.92207	1.4
67.05503	3.6
69.07059	3.0
69.45788	7.5
79.05465	2.1
81.07047	2.7
91.05484	2.1
93.07055	2.1
95.08581	3.3
105.03409	4.7
107.08642	1.9
109.20311	1.5
129.96217	1.6
137.25345	1.4
191.90125	1.6
195.08127	1.9
197.05891	1.8
207.08002	2.1
210.06569	1.5
211.07471	3.1
221.09584	1.9
224.08310	1.5
225.08998	1.9
226.06100	2.2
227.07010	6.8
230.09517	1.5
235.07526	2.2
236.08162	1.6
237.05487	4.4
237.09152	3.7
239.07115	3.3
239.10744	2.1
240.07755	2.8
241.08469	2.3
247.07370	1.9
249.09113	2.2
250.06148	2.0
250.09891	3.1
251.07068	3.5
252.07761	3.4
253.05054	2.6
253.08507	3.1
254.05710	2.3
254.09308	1.8
255.06538	13.4
256.07141	2.5
260.08505	1.8
261.09015	2.6
262.09619	2.2
263.07004	4.4
264.07761	2.5
264.26816	2.6
265.05005	2.5
265.08633	4.8
265.12152	2.2
266.09320	1.9
267.06519	2.4
267.10193	6.1
268.07318	2.4
269.08069	6.1
269.11499	2.3
271.05969	3.5
277.08588	4.3
278.09399	6.7
279.10046	1.9
280.07196	4.9
281.08044	5.8
282.08783	3.4
283.06003	13.0
283.09396	3.2
284.06555	1.9
285.07455	4.6
286.08075	3.5
289.08566	1.7
290.05463	1.6
293.08087	3.7
293.11694	9.1
295.06351	3.3
295.09613	6.3
296.10181	2.1
297.07727	1.8
297.11191	4.9
298.08374	41.5
298.11819	2.1
299.09119	7.9
301.07001	2.8
301.10507	3.1
305.08084	3.6
306.08762	5.2
307.09528	4.5
308.10284	2.9
309.07480	5.3
311.05661	3.0
311.09140	6.0
312.09998	4.4
313.07178	3.0
313.10690	26.6
314.07608	3.1
314.11029	4.0
315.08411	3.8
315.11765	2.3
316.09097	3.3
319.09518	1.7
320.10339	2.0
321.07764	3.0
321.11160	18.8
323.09070	5.1
323.12720	3.3
325.10675	8.9
325.14035	2.5
326.07901	15.0
326.11356	2.2
327.08551	3.7
327.12292	11.2
328.09326	3.6
329.10242	2.8
336.09961	7.4
337.10687	9.9
338.11365	5.3
339.12296	4.9
339.31476	1.8
341.10205	100.0
342.10654	11.8
343.11734	4.3
344.08737	1.9
346.13855	1.9
351.12234	18.8
352.13052	7.1
353.10147	2.6
353.13889	23.5
354.14166	3.4
355.15524	3.3
356.12094	2.5
357.13297	16.3
358.13651	2.2
359.11020	7.3
368.12436	3.8
369.13324	4.8
370.14279	2.0
383.14883	64.5
384.15216	6.3
393.97394	1.5
401.15964	74.1
402.16196	5.6
454.09875	2.6
466.26462	1.5
536.50415	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58877	1.1
69.46912	1.0
69.47217	5.7
80.94858	1.0
82.58009	1.1
92.08046	0.8
98.18722	1.0
105.03371	6.5
138.05093	0.9
163.16336	1.0
176.09409	0.9
187.43602	0.9
196.08949	1.2
197.05965	1.2
205.06198	1.0
207.08107	1.8
209.09668	1.2
210.06865	1.7
211.07602	1.8
212.20349	0.9
219.08224	0.9
224.08321	2.2
225.09061	1.1
226.06248	1.7
227.07002	1.8
235.07672	1.3
236.08365	1.8
237.09134	2.6
238.06339	2.1
239.07010	1.8
239.10742	1.9
241.08548	2.2
243.06735	0.9
250.06036	1.3
250.09959	1.3
251.07027	1.7
252.07822	4.4
253.04918	1.0
253.08612	2.0
254.05803	2.1
254.09480	1.8
255.06580	2.1
257.08109	1.4
263.07120	2.2
265.08582	6.0
266.05386	0.9
266.09326	2.2
267.06586	3.4
267.10193	12.8
269.08109	2.4
269.11768	2.2
270.05304	1.5
270.08649	1.0
271.06158	1.2
271.09625	1.2
278.09427	1.9
279.06604	1.0
279.10101	2.0
280.07269	2.4
281.08145	3.8
281.11188	0.9
282.08896	2.9
283.06256	1.6
283.09393	1.8
284.06821	3.1
285.04242	1.1
285.07581	4.3
285.10730	1.2
286.08313	1.3
287.09113	1.0
292.11081	1.1
293.08264	1.2
293.11755	2.1
295.06253	1.4
295.09616	15.8
296.07007	1.2
296.10281	2.2
297.07602	3.2
297.11200	7.8
298.08322	1.1
299.09186	10.0
299.12497	1.6
300.06458	1.3
300.09659	2.2
301.07172	2.2
301.10638	2.5
309.11093	1.5
310.08365	2.0
311.09042	2.9
312.09702	1.1
313.07050	2.7
313.10641	1.9
314.11337	1.4
315.08508	2.2
321.11063	1.7
323.09241	1.5
323.12711	1.2
325.10687	14.7
325.38812	1.2
326.11264	3.3
327.08508	3.3
327.12256	5.3
328.09457	5.6
329.10141	4.7
329.13858	3.8
339.12289	2.3
342.10992	2.4
344.08908	2.7
351.12274	3.4
352.12875	1.9
353.13736	3.3
357.13315	30.8
357.17773	1.6
358.13843	2.5
359.11209	10.4
368.18988	1.6
371.14902	10.2
372.15277	1.3
383.14920	6.7
401.15936	100.0
402.16354	7.0
554.27527	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73869	6.0
56.92947	5.6
59.69646	5.0
61.44840	5.9
67.13460	5.9
69.56620	5.6
71.32321	9.2
79.05486	9.9
81.07037	9.8
89.64805	5.1
91.05508	5.9
99.08092	20.6
105.03381	11.5
105.07035	7.2
107.08604	7.4
112.86642	5.1
119.08584	6.5
121.10139	6.6
137.06001	7.3
145.10098	5.9
160.57317	5.6
165.62915	6.2
184.77383	5.3
200.32455	5.0
221.11713	8.6
255.06503	17.2
267.06442	8.8
269.08121	14.8
270.08841	10.8
285.07556	11.2
285.59924	5.6
295.09592	7.0
297.07574	20.9
298.08112	8.2
299.09265	8.2
311.08948	7.5
312.09927	28.3
313.07022	15.9
313.10779	13.7
316.09470	6.8
326.11603	7.8
328.09283	40.0
329.10117	8.3
330.10663	6.6
340.13132	11.2
341.13773	11.1
343.11761	100.0
344.11969	7.1
351.12241	7.5
371.14798	21.3
383.14700	6.4
384.15775	10.1
415.17554	41.4
442.76892	6.3
502.45700	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64814	2.4
55.05507	4.9
55.61349	2.8
57.03440	16.0
60.04517	6.9
61.02907	3.1
69.48020	15.2
71.04598	3.3
71.04996	68.1
73.02934	4.2
73.62737	2.5
75.04483	8.3
83.04984	3.4
85.02905	100.0
87.04453	5.0
91.05487	5.1
93.07041	3.5
95.04990	3.1
99.04456	17.9
103.05482	2.7
105.07030	8.4
107.04958	8.5
111.04434	3.1
113.98007	3.2
115.05507	3.9
117.07006	6.0
119.04997	3.1
121.06476	5.7
123.04442	3.5
129.05489	38.4
129.07011	6.9
133.06458	4.6
137.05974	7.4
145.06438	5.9
146.08136	34.5
147.06512	25.5
151.03935	2.9
151.07536	11.0
153.05452	4.1
157.06465	7.5
159.56110	2.5
161.05966	21.7
161.09592	4.2
163.07503	5.0
164.09193	56.7
165.09142	4.3
167.07050	55.8
174.06880	3.9
175.07550	10.4
177.09102	46.2
178.09459	2.7
181.08607	24.3
189.09097	19.9
190.09422	3.0
191.06953	3.7
193.08559	20.6
194.09042	2.8
195.08138	3.3
195.10159	6.9
205.08563	4.4
207.06458	4.4
207.10191	5.8
219.10150	4.3
221.11743	6.4
225.09158	4.7
243.10312	3.0
255.10297	2.7
257.11743	3.2
263.10464	2.9
280.74762	2.9
283.09714	3.9
285.11267	8.8
299.12772	3.1
309.11508	2.7
317.13748	6.0
343.15582	12.7
361.16440	73.8
362.16751	5.3
365.13522	3.6
373.16333	4.5
385.16409	3.1
397.16510	3.6
453.19165	4.2
460.92416	2.7
462.10944	2.7
471.19644	3.1
553.44971	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.7
56.18024	1.4
59.05006	6.3
61.02913	1.4
66.04723	1.4
67.05512	2.9
68.18508	1.5
69.03432	4.6
69.07095	1.7
71.30281	1.9
79.05489	4.4
81.07050	4.8
85.02900	10.2
91.05466	17.4
93.07062	4.3
95.04978	3.9
95.08596	3.2
97.02892	2.5
98.74068	1.4
103.05450	1.5
105.07032	9.6
107.04954	9.4
107.08582	2.6
109.02946	1.8
109.06481	2.9
115.05445	3.1
117.07038	3.6
119.04945	13.4
119.08568	2.2
122.03658	4.6
127.03960	3.4
128.06241	3.1
129.07021	4.2
130.07791	4.8
131.19398	1.6
133.06519	4.6
133.09999	1.9
134.05988	2.8
136.05176	3.2
137.05971	81.1
143.08568	13.7
144.65022	1.5
145.05016	1.5
145.06543	3.3
145.10109	33.9
147.08063	3.9
151.04019	2.2
151.07538	100.0
152.07947	4.0
153.07002	2.6
155.08530	8.8
158.07253	28.4
159.08015	2.2
161.06001	3.6
163.07437	1.8
165.09126	21.5
165.96518	1.5
167.07028	32.0
168.07391	1.4
171.08096	4.0
173.09616	62.7
174.10056	2.9
175.07486	7.3
178.06230	6.0
180.10091	3.6
180.24138	1.9
181.08623	6.9
183.09242	2.6
186.06819	6.4
188.08264	2.5
189.09117	5.3
192.07843	7.2
193.08618	6.7
201.09100	96.7
202.09555	5.5
203.10643	8.9
206.08151	2.1
207.10078	3.4
209.11850	1.5
210.18442	1.6
218.09377	3.0
219.10120	3.3
224.09268	1.6
233.11723	81.4
234.12039	2.9
251.12779	38.4
252.13130	2.5
297.11215	1.8
325.14816	1.7
339.16309	2.0
341.13492	1.9
341.18387	1.4
357.16925	54.2
358.17459	4.8
360.07513	1.9
393.22452	2.4
444.27194	2.6
444.84482	1.5
445.28143	1.8
482.32523	3.6
500.33362	4.0
518.34875	5.1
519.25732	1.7
536.35645	5.0
554.24701	8.1
554.35199	7.5
555.26617	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71701	1.4
61.02932	1.8
61.46187	1.4
65.03941	6.3
65.97410	1.2
67.05497	1.6
69.03432	2.8
69.04836	14.3
69.05199	2.3
69.07073	6.5
73.44576	1.4
79.05495	2.8
81.07056	4.9
85.02892	5.9
90.78962	1.4
91.05472	8.3
93.03404	6.4
93.07065	1.5
94.04191	1.7
95.04958	16.8
97.02916	1.6
99.72789	1.7
100.17773	1.4
103.05502	2.4
105.03378	1.6
105.07026	12.6
106.04212	2.3
107.04967	5.5
109.06504	5.0
111.04463	5.7
119.04959	6.6
121.06516	5.6
122.03682	4.4
123.04406	12.1
124.05225	2.0
125.05988	9.6
131.04988	2.1
131.08589	2.7
133.06499	9.9
134.03674	2.3
135.08040	8.9
137.05972	87.8
138.06320	3.6
139.07513	1.9
140.04675	4.9
141.05467	5.0
143.08536	11.6
145.06514	3.8
145.10146	3.4
147.04373	2.0
147.08008	2.1
148.05212	1.8
149.05981	1.9
151.03897	17.7
151.07520	29.4
152.04704	4.4
153.05467	17.0
155.07034	14.1
158.07271	2.5
159.08134	2.5
161.09569	2.9
162.06718	3.8
163.07544	5.3
165.09126	17.5
166.06297	6.4
167.07034	100.0
168.07468	3.0
171.08026	21.4
172.08505	1.8
173.09665	8.3
175.07509	2.2
177.09132	5.2
181.05002	11.1
181.08583	58.6
183.06541	24.0
188.08318	16.1
189.09087	3.6
193.08675	3.1
195.10176	21.4
197.51889	1.9
201.07362	1.3
201.09090	23.4
201.10857	2.1
203.10658	73.1
204.11095	1.9
211.09659	3.6
219.10234	3.0
221.11716	49.1
223.13309	3.8
233.11720	14.1
251.12759	32.8
325.14343	2.9
357.16959	62.7
358.17395	3.9
375.18073	33.3
408.63077	1.5
554.26605	7.1
555.26703	3.6
567.74841	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.7
56.18024	1.4
59.05006	6.3
61.02913	1.4
66.04723	1.4
67.05512	2.9
68.18508	1.5
69.03432	4.6
69.07095	1.7
71.30281	1.9
79.05489	4.4
81.07050	4.8
85.02900	10.2
91.05466	17.4
93.07062	4.3
95.04978	3.9
95.08596	3.2
97.02892	2.5
98.74068	1.4
103.05450	1.5
105.07032	9.6
107.04954	9.4
107.08582	2.6
109.02946	1.8
109.06481	2.9
115.05445	3.1
117.07038	3.6
119.04945	13.4
119.08568	2.2
122.03658	4.6
127.03960	3.4
128.06241	3.1
129.07021	4.2
130.07791	4.8
131.19398	1.6
133.06519	4.6
133.09999	1.9
134.05988	2.8
136.05176	3.2
137.05971	81.1
143.08568	13.7
144.65022	1.5
145.05016	1.5
145.06543	3.3
145.10109	33.9
147.08063	3.9
151.04019	2.2
151.07538	100.0
152.07947	4.0
153.07002	2.6
155.08530	8.8
158.07253	28.4
159.08015	2.2
161.06001	3.6
163.07437	1.8
165.09126	21.5
165.96518	1.5
167.07028	32.0
168.07391	1.4
171.08096	4.0
173.09616	62.7
174.10056	2.9
175.07486	7.3
178.06230	6.0
180.10091	3.6
180.24138	1.9
181.08623	6.9
183.09242	2.6
186.06819	6.4
188.08264	2.5
189.09117	5.3
192.07843	7.2
193.08618	6.7
201.09100	96.7
202.09555	5.5
203.10643	8.9
206.08151	2.1
207.10078	3.4
209.11850	1.5
210.18442	1.6
218.09377	3.0
219.10120	3.3
224.09268	1.6
233.11723	81.4
234.12039	2.9
251.12779	38.4
252.13130	2.5
297.11215	1.8
325.14816	1.7
339.16309	2.0
341.13492	1.9
341.18387	1.4
357.16925	54.2
358.17459	4.8
360.07513	1.9
393.22452	2.4
444.27194	2.6
444.84482	1.5
445.28143	1.8
482.32523	3.6
500.33362	4.0
518.34875	5.1
519.25732	1.7
536.35645	5.0
554.24701	8.1
554.35199	7.5
555.26617	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09559	0.2
57.39677	0.2
61.02912	0.3
61.17355	0.3
69.03430	0.9
71.31540	0.4
74.09518	0.2
79.05496	0.3
81.03404	0.8
81.07027	0.5
82.76029	0.2
85.02908	2.5
91.05495	0.6
94.04165	0.9
95.08549	0.2
97.02904	1.1
103.05477	0.9
105.07031	0.7
108.41102	0.2
119.04913	0.3
122.03648	3.1
131.04941	2.4
133.06464	0.4
137.05978	100.0
138.06323	2.4
145.06482	0.3
151.03922	0.3
151.07559	0.9
156.50938	0.2
163.07542	4.2
165.09164	0.3
171.08054	0.3
175.07588	0.7
177.78073	0.2
181.08603	9.3
182.08925	0.4
184.07376	0.3
200.13403	0.3
203.10541	0.3
209.08017	0.4
229.08621	0.3
232.94707	0.2
235.13304	2.5
243.29074	0.2
265.10767	0.5
275.07019	0.3
289.10773	0.3
307.37405	0.2
333.08014	0.3
335.09445	1.4
383.15448	0.2
423.23041	0.7
554.27496	1.9
555.27521	19.7
572.25616	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.7
56.18024	1.4
59.05006	6.3
61.02913	1.4
66.04723	1.4
67.05512	2.9
68.18508	1.5
69.03432	4.6
69.07095	1.7
71.30281	1.9
79.05489	4.4
81.07050	4.8
85.02900	10.2
91.05466	17.4
93.07062	4.3
95.04978	3.9
95.08596	3.2
97.02892	2.5
98.74068	1.4
103.05450	1.5
105.07032	9.6
107.04954	9.4
107.08582	2.6
109.02946	1.8
109.06481	2.9
115.05445	3.1
117.07038	3.6
119.04945	13.4
119.08568	2.2
122.03658	4.6
127.03960	3.4
128.06241	3.1
129.07021	4.2
130.07791	4.8
131.19398	1.6
133.06519	4.6
133.09999	1.9
134.05988	2.8
136.05176	3.2
137.05971	81.1
143.08568	13.7
144.65022	1.5
145.05016	1.5
145.06543	3.3
145.10109	33.9
147.08063	3.9
151.04019	2.2
151.07538	100.0
152.07947	4.0
153.07002	2.6
155.08530	8.8
158.07253	28.4
159.08015	2.2
161.06001	3.6
163.07437	1.8
165.09126	21.5
165.96518	1.5
167.07028	32.0
168.07391	1.4
171.08096	4.0
173.09616	62.7
174.10056	2.9
175.07486	7.3
178.06230	6.0
180.10091	3.6
180.24138	1.9
181.08623	6.9
183.09242	2.6
186.06819	6.4
188.08264	2.5
189.09117	5.3
192.07843	7.2
193.08618	6.7
201.09100	96.7
202.09555	5.5
203.10643	8.9
206.08151	2.1
207.10078	3.4
209.11850	1.5
210.18442	1.6
218.09377	3.0
219.10120	3.3
224.09268	1.6
233.11723	81.4
234.12039	2.9
251.12779	38.4
252.13130	2.5
297.11215	1.8
325.14816	1.7
339.16309	2.0
341.13492	1.9
341.18387	1.4
357.16925	54.2
358.17459	4.8
360.07513	1.9
393.22452	2.4
444.27194	2.6
444.84482	1.5
445.28143	1.8
482.32523	3.6
500.33362	4.0
518.34875	5.1
519.25732	1.7
536.35645	5.0
554.24701	8.1
554.35199	7.5
555.26617	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.1
61.02919	3.3
69.03428	6.0
69.07050	6.9
79.05493	12.7
81.07072	7.7
83.05027	4.3
85.02895	13.3
91.05499	12.4
93.07039	10.9
95.04983	16.1
97.02904	4.9
97.10132	3.1
98.23293	6.7
103.05446	3.4
105.07037	12.1
107.04963	35.0
107.08611	4.7
109.02894	5.9
109.06533	3.8
109.10157	3.1
111.04443	6.7
114.07571	2.9
119.04955	3.4
121.06499	11.6
121.10118	4.0
123.04420	9.4
124.05222	3.9
125.06009	8.9
127.03904	5.4
128.06221	4.4
131.04955	2.5
133.06488	8.2
135.08052	5.6
137.05978	83.2
139.07581	5.2
140.04712	3.4
142.52905	3.3
143.08572	25.6
145.06499	9.2
145.10117	7.0
151.03938	25.3
151.07529	32.5
152.04625	5.1
153.05478	28.3
155.07050	5.3
158.07285	3.5
159.08044	4.8
162.06772	4.9
163.07549	10.7
165.09074	17.1
166.06268	7.9
167.07033	100.0
171.08034	35.7
173.09634	9.4
177.09171	5.2
181.04976	8.8
181.08578	74.8
183.06461	14.8
187.07655	3.5
188.08292	23.9
191.10670	5.5
195.10156	21.4
197.07323	4.1
198.06171	3.0
201.09125	8.1
203.10664	99.4
204.11012	7.2
217.12308	9.0
219.10130	13.9
221.11713	61.0
221.13754	4.8
233.11755	8.9
235.13249	4.3
235.62633	3.0
237.11154	3.8
251.12761	43.8
257.07953	3.4
293.11691	4.9
301.10654	3.8
314.11246	2.9
325.14343	5.0
328.12997	4.0
343.11685	5.9
353.13821	9.0
357.16910	64.9
359.14850	6.3
371.14957	13.3
375.17889	26.5
385.16327	13.2
403.17426	11.3
446.77460	3.3
481.25409	4.3
554.26569	21.9
554.35876	5.1
555.25995	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.7
51.02380	1.7
53.03714	0.5
53.03950	7.2
55.05494	0.6
69.26902	1.7
69.27325	0.8
72.54679	0.3
77.03925	0.9
81.03410	0.9
83.04541	0.3
83.04990	1.1
83.87267	0.3
83.91232	0.3
85.28493	0.3
93.06992	0.3
95.04973	7.0
105.03394	100.0
105.04539	3.6
106.03732	2.1
127.15648	0.3
132.03233	0.3
180.63362	0.3
211.07666	0.4
239.10893	0.4
240.07857	0.4
245.32957	0.3
277.08401	0.4
281.08188	0.6
291.10141	0.6
295.09744	0.6
295.13226	0.7
299.09137	0.5
301.10901	0.4
306.12549	0.6
307.13110	0.4
309.15164	0.5
312.09875	0.3
313.10764	0.7
317.10297	0.5
318.11026	0.8
322.12024	0.4
323.12958	1.2
325.10901	0.5
327.12146	0.6
331.11847	0.6
332.12576	0.9
333.13239	0.4
337.14459	2.0
338.15054	1.0
339.12268	0.5
341.17606	0.5
345.13416	0.4
355.11508	0.4
355.15417	0.8
359.14780	0.5
369.16965	3.1
370.17685	2.1
399.17944	0.8
401.19620	6.3
409.23380	0.5
435.14221	0.5
449.16049	0.5
453.26233	0.4
466.26025	0.5
467.27991	0.5
473.19904	1.0
474.20279	0.8
497.25128	2.8
505.22214	16.8
506.22729	1.6
526.33087	0.4
554.27606	0.5
555.29132	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.8
53.03951	5.9
69.60540	0.7
69.60898	3.4
71.61660	0.7
77.03941	1.0
81.03409	1.1
95.04964	5.9
97.56040	0.5
105.03392	100.0
105.04541	3.2
106.03712	1.4
107.08577	0.6
128.17177	0.6
148.05229	0.8
153.64368	0.7
309.11465	0.8
326.36423	0.7
355.15543	1.8
387.17990	2.3
459.18213	1.6
491.20605	15.4
492.21033	0.9
554.27588	3.7
580.11945	0.8
580.21008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	1.2
51.02384	1.8
53.03950	5.6
59.97437	0.8
60.04531	1.2
67.05508	1.0
69.60662	2.0
69.61070	2.4
77.03938	1.4
79.05505	1.1
79.17364	0.8
88.97178	0.7
91.50953	1.0
93.07065	0.9
95.04963	6.1
98.22705	1.0
105.03391	100.0
105.04546	3.8
106.03757	2.1
139.18018	0.9
272.25839	0.8
355.15445	1.5
387.18042	3.1
449.15555	0.9
459.18024	1.5
491.20703	13.5
492.20767	1.3
536.50452	2.9
554.27789	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.2
55.05515	17.0
57.03429	10.8
57.07079	3.6
67.05508	72.0
68.05849	3.7
69.01276	33.4
69.07061	30.4
71.04982	8.0
79.05486	13.9
81.07057	100.0
82.07366	3.2
83.08618	13.1
85.06562	14.8
91.05478	11.5
93.07069	16.0
95.08606	90.4
97.06542	4.6
97.10167	5.8
105.07076	7.4
107.08607	9.5
109.10122	15.4
119.08591	8.6
121.10149	9.8
123.11711	9.5
125.75865	3.0
133.10110	5.3
135.11722	3.6
147.11678	13.4
161.13251	5.4
165.12743	9.4
183.13855	5.5
202.60529	2.9
257.17493	99.4
313.68033	3.3
337.27386	69.6
338.27625	4.3
519.40558	44.8
520.40558	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72285	1.2
55.05517	4.7
55.55653	1.3
57.07080	31.8
60.04519	2.4
65.21453	1.3
67.05506	2.3
69.07076	4.4
71.08634	33.3
71.09010	2.5
72.07395	1.4
73.06565	6.3
73.09470	1.3
74.89085	1.2
75.32037	1.2
81.07066	2.3
83.08627	6.0
85.10190	23.6
87.04476	5.2
89.06036	100.0
95.08608	2.1
97.10199	6.3
98.22617	2.7
99.11733	3.7
105.07057	1.4
105.96682	1.7
107.07082	2.1
111.11732	3.3
117.09154	4.9
125.13271	3.4
127.14845	1.4
130.08694	2.3
133.08614	51.3
141.16422	1.7
161.12939	1.6
175.99611	1.2
177.11230	19.1
180.31343	1.2
182.59714	1.2
211.24240	1.6
221.13872	2.2
239.14978	1.7
255.26871	1.8
283.17667	2.6
299.29532	2.5
308.14859	1.3
327.20181	7.7
343.32217	2.8
349.91876	1.3
436.04333	1.5
536.50214	3.6
537.43414	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.5147
Annotation	2-OH-C16 :0 Ceramide
Peak:m/z	Relative Intensity
50.23827	1.2
55.05517	10.7
56.05037	6.6
57.03450	1.9
57.07076	16.5
57.54881	1.4
60.04530	95.4
65.03918	1.6
66.57990	1.1
67.05508	21.6
69.07075	11.5
71.07809	1.1
71.08633	10.3
72.04517	3.3
72.99521	1.1
73.06510	1.1
74.06084	3.7
79.05496	11.7
80.05003	1.6
81.03432	2.5
81.07059	21.2
82.06577	4.1
83.04993	1.7
83.08627	10.5
85.10177	7.1
86.06087	1.6
88.04089	1.2
88.07634	2.0
89.06037	5.1
90.05533	2.9
91.05486	8.7
93.07059	13.1
94.06568	4.8
95.04978	2.9
95.08611	20.9
96.02460	1.4
96.08127	3.3
97.06534	1.8
97.10170	5.0
98.06004	1.2
105.07024	5.4
107.08602	7.2
108.08152	1.7
109.06544	1.4
109.10171	9.2
111.11687	1.6
112.07602	1.8
119.08589	6.2
121.10182	6.6
123.11692	3.6
133.08611	3.6
133.10139	5.3
135.11691	5.1
137.05939	1.4
137.09624	2.1
147.11667	2.1
149.13284	2.0
245.22707	2.1
250.25516	1.4
256.26382	13.5
262.25293	27.8
263.23700	3.9
264.26852	2.0
272.26144	2.0
280.26373	24.7
282.27902	5.4
298.27390	22.4
299.27753	2.8
316.28415	10.7
327.20105	1.8
402.36606	1.6
500.48865	1.7
504.54904	1.5
518.49542	14.0
536.50378	100.0
537.50726	12.9
554.51135	11.1
555.51764	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1477
Annotation	cudranian 1
Peak:m/z	Relative Intensity
55.12954	0.3
57.53953	0.3
77.19428	0.2
81.07065	1.0
86.10426	0.2
107.01083	9.7
107.89199	0.2
115.62451	0.3
137.05988	1.4
138.06366	0.4
155.07140	0.3
156.30746	0.2
173.02109	22.8
185.04193	0.7
188.04773	0.3
191.03151	0.6
199.07695	0.2
203.10677	0.3
257.04230	3.1
317.62579	0.3
323.40497	0.3
335.09625	1.1
369.58405	0.3
392.08633	5.0
393.09357	4.1
393.13660	0.4
555.14758	100.0
555.27179	3.7
556.15106	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2197
Annotation	Physalin V
Peak:m/z	Relative Intensity
53.33534	0.2
56.03779	0.2
64.61060	0.2
68.83305	0.2
69.03427	0.4
85.60844	0.2
86.09671	0.3
124.12414	0.2
151.59283	0.2
163.03676	0.6
179.06769	2.2
184.07370	0.3
198.00629	0.3
213.14447	0.2
229.79166	0.4
229.81281	0.3
259.09363	0.5
311.12411	0.6
319.11621	0.6
355.15106	0.5
371.14597	2.9
381.13052	1.0
399.14136	28.3
400.14478	1.5
439.20807	0.4
467.20410	0.5
495.19772	0.6
509.21118	0.4
511.22446	0.4
527.22443	2.6
528.23102	0.6
537.23975	0.8
555.21857	100.0
556.22229	8.8
573.23041	3.8
574.22833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2207
Annotation	Physalin V
Peak:m/z	Relative Intensity
50.71496	0.4
53.81305	0.4
55.01878	0.4
58.79269	0.3
58.88758	0.4
69.11623	0.3
69.27265	1.4
69.27696	1.3
70.67930	0.4
74.65337	0.3
79.05487	0.4
80.75513	0.3
91.05479	0.6
107.04976	0.8
109.06589	0.4
114.09174	0.5
126.29002	0.4
131.04913	0.7
137.05983	1.7
151.03839	0.7
161.05902	0.9
161.09637	0.6
163.07481	0.6
174.02866	0.7
175.03694	0.7
189.08932	0.7
229.08409	0.5
269.80103	0.4
301.10602	0.4
312.09671	0.6
313.10184	0.5
323.09103	0.4
325.10681	0.7
326.11279	0.6
329.09891	1.2
335.09494	0.5
338.11502	0.8
385.58966	0.4
393.22488	1.2
424.14346	0.5
453.18707	0.6
511.22690	1.3
537.20612	0.9
555.21783	100.0
556.22241	10.4
573.22784	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
53.64780	1.2
55.01868	2.4
57.03434	1.8
65.03945	4.0
67.05491	4.1
69.03657	11.9
71.01344	5.1
79.05490	9.2
91.05491	12.4
93.03378	1.6
93.07056	1.7
95.04976	17.1
95.60437	1.7
105.03381	2.0
105.04527	1.5
105.07016	3.3
107.04948	14.4
108.02123	3.2
109.02823	1.3
114.81398	1.2
115.05467	1.8
117.06993	2.1
118.04143	1.9
119.04921	3.9
121.06502	8.6
122.03645	3.5
123.04467	8.1
125.05937	2.5
128.06201	1.5
129.07021	2.9
131.04889	2.9
131.08565	1.5
133.02840	4.5
133.06479	1.9
135.04422	9.2
135.09302	1.3
137.05975	44.8
137.07039	2.4
141.05447	1.7
145.27811	1.5
146.03679	1.8
147.04431	3.4
147.08023	1.9
149.05954	11.6
150.03076	2.2
150.06750	2.9
151.03915	100.0
151.05009	9.0
151.07491	10.9
152.04225	2.2
153.05447	4.3
153.06837	1.5
157.06471	2.5
159.08029	2.3
160.05258	2.4
161.05972	29.1
161.09592	7.2
162.06606	2.3
163.03891	4.4
163.07516	4.2
165.05469	9.3
165.06985	4.1
167.07028	8.4
167.08453	2.3
172.69159	1.5
174.06761	4.7
175.07578	8.3
177.05475	4.3
177.09172	2.0
178.06276	9.3
178.07669	2.0
179.07033	3.2
179.08568	3.0
181.06512	2.8
182.07317	2.6
183.03067	1.3
187.07558	3.9
188.08333	3.0
189.09099	12.1
191.06985	1.6
191.08577	4.4
192.07741	2.7
193.06473	2.0
193.10060	2.2
194.07358	1.9
195.06519	20.8
195.08078	5.3
195.10211	4.1
196.07208	3.6
205.06451	1.8
207.08049	4.3
207.10165	4.8
208.08733	2.8
209.06004	2.7
209.07877	1.6
209.09644	2.8
210.06708	3.5
211.07516	4.1
212.08395	1.7
219.04482	2.5
219.08060	7.7
219.10028	3.1
220.08791	2.5
221.05942	5.9
221.09485	2.1
222.06674	2.7
223.07504	7.6
223.11150	3.3
224.08330	3.1
225.05501	2.1
225.09158	10.2
227.06955	3.9
235.07550	4.2
236.08353	3.7
237.09052	7.1
238.06239	2.8
239.07048	7.0
240.07826	5.4
241.08588	5.1
243.10307	1.6
247.07532	5.6
248.08264	4.2
249.09088	4.1
250.06032	1.5
251.06900	6.4
251.10742	9.7
252.07660	2.5
253.08577	31.3
254.09239	4.1
255.06473	3.8
255.10185	5.3
255.13646	2.0
264.07773	2.9
265.08588	15.0
266.09262	3.9
267.10138	6.9
268.07306	3.9
268.10837	2.2
269.08096	5.5
269.11612	5.0
270.08850	7.7
271.09457	2.4
279.10144	18.5
280.10574	1.4
281.08102	5.6
281.11560	3.6
283.09619	21.3
283.13235	6.4
284.10095	2.7
285.11285	1.7
286.11972	2.8
287.12848	2.1
295.09760	2.0
296.10352	7.5
297.11188	57.9
298.11618	2.8
301.10715	2.3
309.11127	2.6
310.11752	3.4
311.12787	12.6
313.10733	2.1
313.14267	3.2
319.11768	1.7
323.12677	2.9
327.12164	15.9
329.13806	88.7
330.14523	15.2
331.11646	1.5
331.15125	3.0
337.14285	2.3
341.13843	6.7
342.14609	22.4
355.15417	2.0
360.15594	3.9
388.18234	3.2
393.22421	2.2
477.18967	2.8
507.20752	2.9
555.27039	15.1
556.26129	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
53.64780	1.2
55.01868	2.4
57.03434	1.8
65.03945	4.0
67.05491	4.1
69.03657	11.9
71.01344	5.1
79.05490	9.2
91.05491	12.4
93.03378	1.6
93.07056	1.7
95.04976	17.1
95.60437	1.7
105.03381	2.0
105.04527	1.5
105.07016	3.3
107.04948	14.4
108.02123	3.2
109.02823	1.3
114.81398	1.2
115.05467	1.8
117.06993	2.1
118.04143	1.9
119.04921	3.9
121.06502	8.6
122.03645	3.5
123.04467	8.1
125.05937	2.5
128.06201	1.5
129.07021	2.9
131.04889	2.9
131.08565	1.5
133.02840	4.5
133.06479	1.9
135.04422	9.2
135.09302	1.3
137.05975	44.8
137.07039	2.4
141.05447	1.7
145.27811	1.5
146.03679	1.8
147.04431	3.4
147.08023	1.9
149.05954	11.6
150.03076	2.2
150.06750	2.9
151.03915	100.0
151.05009	9.0
151.07491	10.9
152.04225	2.2
153.05447	4.3
153.06837	1.5
157.06471	2.5
159.08029	2.3
160.05258	2.4
161.05972	29.1
161.09592	7.2
162.06606	2.3
163.03891	4.4
163.07516	4.2
165.05469	9.3
165.06985	4.1
167.07028	8.4
167.08453	2.3
172.69159	1.5
174.06761	4.7
175.07578	8.3
177.05475	4.3
177.09172	2.0
178.06276	9.3
178.07669	2.0
179.07033	3.2
179.08568	3.0
181.06512	2.8
182.07317	2.6
183.03067	1.3
187.07558	3.9
188.08333	3.0
189.09099	12.1
191.06985	1.6
191.08577	4.4
192.07741	2.7
193.06473	2.0
193.10060	2.2
194.07358	1.9
195.06519	20.8
195.08078	5.3
195.10211	4.1
196.07208	3.6
205.06451	1.8
207.08049	4.3
207.10165	4.8
208.08733	2.8
209.06004	2.7
209.07877	1.6
209.09644	2.8
210.06708	3.5
211.07516	4.1
212.08395	1.7
219.04482	2.5
219.08060	7.7
219.10028	3.1
220.08791	2.5
221.05942	5.9
221.09485	2.1
222.06674	2.7
223.07504	7.6
223.11150	3.3
224.08330	3.1
225.05501	2.1
225.09158	10.2
227.06955	3.9
235.07550	4.2
236.08353	3.7
237.09052	7.1
238.06239	2.8
239.07048	7.0
240.07826	5.4
241.08588	5.1
243.10307	1.6
247.07532	5.6
248.08264	4.2
249.09088	4.1
250.06032	1.5
251.06900	6.4
251.10742	9.7
252.07660	2.5
253.08577	31.3
254.09239	4.1
255.06473	3.8
255.10185	5.3
255.13646	2.0
264.07773	2.9
265.08588	15.0
266.09262	3.9
267.10138	6.9
268.07306	3.9
268.10837	2.2
269.08096	5.5
269.11612	5.0
270.08850	7.7
271.09457	2.4
279.10144	18.5
280.10574	1.4
281.08102	5.6
281.11560	3.6
283.09619	21.3
283.13235	6.4
284.10095	2.7
285.11285	1.7
286.11972	2.8
287.12848	2.1
295.09760	2.0
296.10352	7.5
297.11188	57.9
298.11618	2.8
301.10715	2.3
309.11127	2.6
310.11752	3.4
311.12787	12.6
313.10733	2.1
313.14267	3.2
319.11768	1.7
323.12677	2.9
327.12164	15.9
329.13806	88.7
330.14523	15.2
331.11646	1.5
331.15125	3.0
337.14285	2.3
341.13843	6.7
342.14609	22.4
355.15417	2.0
360.15594	3.9
388.18234	3.2
393.22421	2.2
477.18967	2.8
507.20752	2.9
555.27039	15.1
556.26129	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.2
53.03943	4.0
55.01871	11.1
61.69463	0.9
65.03941	4.6
67.05495	3.3
69.03439	1.7
70.51180	2.5
71.01349	7.2
77.03935	0.9
79.05493	8.3
81.03384	1.0
88.87959	0.9
89.03943	0.9
91.05479	12.4
93.03396	1.7
93.07063	0.9
95.04977	14.8
103.05461	4.4
105.04515	2.3
105.07044	3.4
107.04949	14.7
108.02115	3.4
109.02932	0.9
109.06497	1.0
111.04433	2.2
117.03390	2.5
117.07026	1.1
118.04158	1.7
119.04945	2.5
121.06492	8.9
122.03652	1.5
123.04445	8.2
125.05249	0.9
125.06034	4.6
128.06215	2.5
129.07013	4.7
130.42570	0.8
131.04895	6.8
131.08563	1.9
132.05692	1.2
133.02856	8.3
133.06502	2.3
134.03731	1.0
135.04399	11.5
135.08029	1.3
136.92377	1.2
137.05977	26.1
141.05479	1.7
145.06508	2.8
146.03650	2.2
146.07291	2.9
147.04419	4.6
147.08052	1.6
148.05225	4.4
149.05971	13.9
150.03145	1.1
150.06783	5.0
151.03912	100.0
151.04997	8.2
151.07472	6.0
152.04239	2.2
153.05478	3.8
153.06784	1.1
155.06000	1.0
157.06511	1.8
159.08104	2.2
161.05977	76.3
161.09608	17.5
162.06682	2.2
163.03915	7.1
163.07556	7.6
165.05504	7.2
165.07005	3.3
166.06219	1.9
166.07660	1.2
167.07063	7.9
167.08444	1.8
171.07990	1.1
174.06744	5.1
175.07547	13.6
176.07802	1.0
177.05550	7.8
177.09145	2.1
178.06268	10.9
178.07755	2.0
179.07050	3.2
179.08568	1.8
181.06554	1.9
181.08647	1.3
182.57365	1.0
183.08003	1.9
185.05948	0.9
187.07503	1.7
188.50966	0.9
189.05432	1.3
189.09097	45.2
190.07820	1.3
190.09505	2.2
191.06992	2.5
191.08556	1.3
192.07802	7.5
193.06485	1.3
193.10178	1.2
194.07365	2.3
195.06548	16.2
195.08115	4.5
195.10197	3.0
196.07220	4.8
199.07542	2.7
201.09193	2.0
203.08708	1.6
205.06494	1.7
205.08525	1.1
206.07274	1.8
207.08211	3.3
207.10159	72.0
208.08832	1.2
208.10588	2.5
209.06050	1.7
209.09674	2.2
210.06837	2.7
211.07602	3.2
211.41948	1.0
212.08246	1.4
213.09085	1.4
214.06302	1.7
218.07222	1.3
219.08095	3.7
219.10173	3.6
221.06100	2.5
221.09642	3.5
221.11568	1.0
222.06787	1.4
222.10223	1.1
223.07501	6.5
223.11214	2.9
224.08392	1.4
225.05551	1.6
225.09064	5.2
226.06131	1.3
227.07065	6.2
227.10701	1.1
228.07745	1.0
231.07910	1.5
233.05984	1.2
233.09586	1.3
234.06593	1.3
235.07568	2.0
236.08316	2.2
236.10315	1.3
237.05515	1.6
237.09113	4.4
238.09763	1.5
239.07088	3.4
239.10696	1.1
240.07794	4.3
241.08618	2.7
243.10257	1.9
247.07675	1.7
248.08278	1.6
249.09100	3.1
250.06216	1.9
250.09726	1.3
251.07079	4.9
251.10674	4.9
252.07890	2.1
253.08569	8.6
254.09306	2.4
255.06529	3.3
255.10167	3.7
257.11725	1.6
261.09052	1.1
263.07108	1.6
263.10519	1.3
265.08612	6.5
266.09470	2.1
267.06525	1.0
267.10214	3.0
268.07291	5.4
268.10306	0.9
269.08173	1.8
269.11813	2.4
270.08929	2.2
271.09601	2.6
273.11203	24.1
277.08600	1.8
279.07291	1.0
279.10120	6.5
280.10666	1.1
281.08084	7.5
281.11652	2.6
282.08856	1.9
283.09674	14.0
283.13278	5.5
285.11224	3.4
286.11896	2.6
289.10748	1.2
291.10220	1.5
295.09714	3.5
296.10468	1.6
297.11166	13.0
298.11942	2.7
299.09183	10.5
299.12640	2.4
301.10867	1.2
309.11206	6.8
310.11877	1.7
311.12787	12.4
313.10724	2.4
313.14056	1.2
317.10138	3.7
319.11884	1.3
323.12769	2.4
327.12241	69.7
328.12396	4.7
329.09930	1.6
329.13806	24.4
330.14563	9.2
331.15393	3.9
341.13922	9.7
342.14609	11.8
355.15405	2.1
360.15649	20.6
393.22455	2.2
477.19022	1.4
537.61713	1.1
555.27185	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2572
Annotation	Rubriflorin C
Peak:m/z	Relative Intensity
55.01847	0.3
55.05504	0.7
67.05502	0.5
69.03421	1.4
71.29091	0.6
79.05484	0.4
81.03413	0.5
81.07044	0.7
82.55591	0.3
83.04948	0.4
91.05453	0.7
91.58050	0.3
93.07021	0.9
93.86797	0.3
95.04968	0.4
95.08589	0.5
97.06513	0.3
105.07059	0.7
107.04935	0.3
107.08562	0.4
109.10123	0.4
115.05397	0.3
119.08597	0.5
120.26169	0.3
121.06485	0.4
121.10115	0.4
124.85410	0.3
129.06929	0.4
131.08571	0.6
133.06406	0.4
139.07515	0.8
143.08507	0.5
159.08049	0.4
161.05907	0.3
175.07439	0.3
197.09579	0.4
203.10577	0.3
219.11578	0.4
221.11723	0.7
222.11964	0.4
235.13257	0.6
252.52650	0.3
257.11926	0.3
260.28860	0.3
293.11856	0.3
335.09311	1.0
347.15271	0.3
367.18570	0.9
369.16782	2.4
381.16510	0.4
399.17676	0.7
423.23788	0.4
465.18896	0.4
475.24490	1.4
493.25497	1.4
519.21692	0.5
520.24213	0.3
537.24463	10.6
538.24500	1.1
555.25531	100.0
556.25836	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.0
56.96564	2.8
57.07081	1.6
60.04529	1.0
61.56289	0.8
67.05489	2.6
69.07054	1.1
70.06557	1.0
70.15070	3.2
81.07060	1.1
105.03382	2.1
114.07219	1.7
226.02965	0.8
255.88959	0.9
281.26401	1.9
282.25851	5.0
375.23642	0.9
401.16760	1.3
407.22067	1.5
493.26370	2.7
501.23895	2.0
511.27518	1.5
519.25226	1.9
536.50342	1.2
537.25800	7.3
537.50842	2.4
555.27380	100.0
555.52795	3.4
556.27496	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
60.53090	0.2
67.05502	0.4
79.05487	0.7
81.07067	0.7
91.05487	0.7
93.07048	0.7
95.04987	0.4
95.08586	0.3
98.23383	0.6
105.07038	0.3
107.08587	0.5
119.08610	0.7
131.08623	0.3
133.06494	0.3
169.62866	0.3
203.05295	1.3
275.07367	1.6
332.43390	0.3
335.09464	17.5
336.09912	0.6
374.74060	0.3
388.56000	0.3
423.23419	3.4
447.25360	0.9
475.24622	1.6
493.28452	0.4
501.62521	0.3
537.28156	0.4
555.27747	100.0
556.28082	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00863	2.0
69.01292	1.6
80.46133	0.3
81.07068	0.5
113.28395	0.4
119.08653	0.4
126.41100	0.4
137.05983	7.0
138.06311	2.4
139.83258	0.3
181.08643	0.9
203.05257	0.5
235.13388	0.4
273.11151	0.4
275.07483	0.6
305.42834	0.4
333.07977	1.5
335.09518	9.9
420.32822	0.4
423.23633	3.6
463.24759	0.5
481.25766	1.3
493.25601	0.9
537.25208	1.2
555.27570	100.0
556.27893	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91382	0.7
53.03944	1.1
55.05507	8.1
56.05046	0.9
56.12435	0.8
57.03440	5.6
57.07078	22.8
60.04531	5.5
67.05179	0.9
67.05506	12.7
69.03428	0.9
69.07068	8.7
70.06599	0.9
71.05000	1.3
71.08633	18.3
74.09712	2.8
79.05486	4.8
81.03426	7.1
81.07063	16.6
82.07445	0.6
83.08623	10.8
85.02910	0.9
85.06549	1.0
85.10190	10.7
89.06037	1.3
91.05485	1.5
93.07027	3.6
95.05025	0.8
95.08607	20.3
97.06505	1.0
97.10161	5.6
98.98468	78.0
99.04440	2.2
105.07022	1.1
107.08601	1.6
109.02882	5.0
109.10153	9.5
110.10489	0.7
111.11720	1.6
116.99490	1.8
119.71574	0.7
121.10143	2.7
123.11700	3.1
127.03878	1.4
133.08594	0.7
135.11694	2.2
136.93640	0.8
155.01041	100.0
156.01376	1.0
173.02051	0.9
221.22610	1.0
239.23645	9.2
243.02608	1.6
247.24188	1.2
257.24509	0.8
264.26733	1.4
265.27158	1.0
268.99869	0.8
272.25851	2.0
273.26151	0.9
281.04166	0.7
282.27893	5.2
283.28464	1.7
313.27353	67.4
314.27786	3.8
317.06274	6.6
356.15811	0.8
383.27835	1.4
393.23962	6.2
394.24173	1.0
401.29117	3.6
411.95871	0.8
439.15506	1.2
495.17596	2.0
519.49908	1.0
536.50220	8.5
537.28320	2.0
537.50647	11.2
555.33136	10.1
555.51440	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05357	7.5
55.05663	7.9
57.03565	0.7
63.13364	0.6
64.15770	0.6
67.05338	1.8
68.58577	0.7
69.06889	2.6
69.07304	1.6
69.10874	4.7
69.11289	1.4
79.05366	0.7
81.06920	0.9
83.04784	14.7
83.05343	5.6
91.05336	1.2
91.05825	0.8
91.98425	0.6
95.04769	0.9
95.08445	1.0
97.06316	2.5
97.06983	1.2
98.23377	1.5
104.13852	0.8
105.06846	1.2
108.14097	0.7
111.00422	0.9
118.97916	0.7
119.08386	0.8
121.09888	0.7
125.42604	0.6
131.01515	0.7
131.08403	0.7
137.62323	0.7
155.08365	0.9
159.11511	1.0
173.13174	0.8
175.41284	0.6
183.10187	4.0
183.11401	1.5
225.34793	0.7
226.05945	1.6
227.06764	0.7
243.13570	4.3
245.15221	3.6
276.13409	0.7
281.07739	1.1
288.16660	1.2
295.09286	1.1
297.18106	0.9
309.07477	0.8
311.05362	1.6
313.10614	1.2
323.08780	1.4
327.19339	1.0
341.10226	1.2
343.15073	1.5
351.19089	2.5
356.23383	3.8
377.13733	1.3
388.22058	1.3
395.15051	0.7
407.25562	5.3
409.16565	3.6
409.23376	23.3
409.28824	1.4
410.23715	2.0
421.27063	3.0
435.25055	15.9
437.22836	2.5
453.26141	14.7
454.26685	1.3
466.26993	1.3
467.27795	19.5
468.27899	2.0
479.24313	5.0
497.25122	100.0
498.25479	9.4
511.30429	1.3
537.28723	2.3
555.29358	42.6
555.36456	1.7
556.29822	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	5.7
57.03421	3.0
67.05500	6.0
77.41891	3.2
79.05494	7.4
81.03447	3.5
81.07046	9.3
83.04973	7.8
91.05476	8.0
93.07037	7.2
95.08598	5.9
97.06547	6.5
105.06992	7.0
109.06540	4.5
112.06487	2.8
117.07027	3.5
119.08546	6.7
121.06494	4.3
129.07025	4.4
130.48497	3.0
131.08568	6.0
137.05908	4.2
142.75525	2.8
143.08604	4.0
145.10103	6.6
159.08040	3.5
168.39268	3.3
169.10020	4.8
173.09639	4.3
189.09123	3.6
194.10393	3.2
197.09543	4.3
208.06729	3.1
213.09483	3.0
219.11879	3.6
222.13692	3.6
224.11415	3.3
261.16125	3.7
282.26031	10.8
441.24213	6.1
442.24670	6.7
453.23557	3.7
459.25174	7.4
460.25497	8.6
497.17307	3.5
555.18964	6.0
555.27130	100.0
555.52332	3.7
556.27325	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
55.01865	0.5
55.05513	6.0
57.03418	0.5
57.07081	3.3
59.05005	0.3
60.67234	0.3
67.05500	2.2
69.03433	0.5
69.07064	1.4
71.30515	0.4
79.05489	2.1
81.07056	2.3
83.04985	3.4
83.08628	0.7
85.06539	1.8
86.09715	0.3
89.06012	0.5
91.05479	2.0
93.07036	4.1
95.04977	0.6
95.08611	4.9
97.06547	2.1
103.05479	0.4
105.07030	2.3
107.04946	0.4
107.08599	6.8
109.06506	1.6
109.10167	2.0
110.03602	0.4
111.04445	33.8
111.08076	1.1
112.04773	0.6
113.05997	0.8
114.98429	0.4
115.05433	0.5
117.07014	1.3
119.04933	0.6
119.08571	1.4
121.06509	0.8
121.10105	0.9
122.07256	0.4
123.08077	0.5
125.05995	10.5
127.07556	1.5
128.06241	1.9
129.06897	0.4
130.07782	0.6
131.08566	0.6
133.06528	0.6
133.10129	1.0
135.08066	5.6
135.11681	7.3
135.63135	0.3
136.08417	0.3
136.12094	0.4
139.07524	1.0
141.07011	0.4
143.04927	0.5
143.08559	12.5
144.08975	0.5
145.06444	0.5
145.10132	5.9
146.07259	0.3
147.04405	2.3
153.05467	6.4
153.12749	1.6
155.68031	0.4
157.10208	0.4
160.05237	0.6
161.05984	1.2
161.09608	1.7
163.11183	7.6
164.04681	1.0
167.07088	1.8
171.08049	11.6
172.08472	0.5
174.06807	1.0
175.11169	0.7
179.07076	2.4
181.12236	34.5
182.12619	1.2
188.08247	0.7
189.09103	15.7
190.09435	0.6
191.07047	0.4
192.07832	1.4
203.10692	0.7
206.09305	0.4
207.10083	1.6
207.46094	0.4
221.11729	100.0
222.12056	4.6
235.13263	0.5
283.45825	0.4
355.15698	0.4
375.17999	0.5
469.17285	0.4
527.47162	0.4
555.38715	0.7
578.44843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.8
57.07063	1.4
59.61734	1.3
67.05507	3.7
69.07072	1.9
71.31805	1.3
76.64124	1.4
79.05488	3.2
81.07042	4.9
93.07012	2.2
95.08635	2.6
105.07034	4.5
107.08573	1.8
109.10175	1.7
119.08588	2.2
133.10121	1.9
147.11613	3.4
200.14423	1.3
231.43062	1.4
278.52399	1.4
351.12021	75.0
352.12445	4.0
353.13562	8.9
392.14502	2.6
393.92224	1.6
555.30780	100.0
556.30865	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21430	3.4
55.01870	3.6
57.03447	8.3
65.03948	4.1
65.15553	3.0
69.03427	25.2
69.26506	5.5
69.26904	20.6
72.89373	2.8
77.61290	2.8
85.02934	16.0
87.04466	12.8
91.05482	100.0
93.26868	3.1
97.02908	23.1
98.22648	6.3
107.04927	3.3
110.09686	6.4
115.03914	25.3
120.08117	4.6
133.04971	24.7
137.06007	12.8
138.09126	3.4
145.04953	3.3
151.03891	16.5
161.05995	7.9
162.06390	3.9
166.08675	11.9
175.07433	3.9
179.07039	3.8
189.09114	7.0
190.09459	8.1
207.10226	9.5
208.10545	3.4
235.77251	3.5
245.08214	4.3
269.08282	3.4
283.10577	3.7
323.08817	4.3
327.12607	4.9
328.12650	9.4
335.09476	3.6
341.10205	5.7
359.12314	5.8
371.12085	3.3
441.41495	3.3
464.18262	6.7
492.17517	7.1
495.92816	3.5
556.26965	36.8
557.28021	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21430	3.4
55.01870	3.6
57.03447	8.3
65.03948	4.1
65.15553	3.0
69.03427	25.2
69.26506	5.5
69.26904	20.6
72.89373	2.8
77.61290	2.8
85.02934	16.0
87.04466	12.8
91.05482	100.0
93.26868	3.1
97.02908	23.1
98.22648	6.3
107.04927	3.3
110.09686	6.4
115.03914	25.3
120.08117	4.6
133.04971	24.7
137.06007	12.8
138.09126	3.4
145.04953	3.3
151.03891	16.5
161.05995	7.9
162.06390	3.9
166.08675	11.9
175.07433	3.9
179.07039	3.8
189.09114	7.0
190.09459	8.1
207.10226	9.5
208.10545	3.4
235.77251	3.5
245.08214	4.3
269.08282	3.4
283.10577	3.7
323.08817	4.3
327.12607	4.9
328.12650	9.4
335.09476	3.6
341.10205	5.7
359.12314	5.8
371.12085	3.3
441.41495	3.3
464.18262	6.7
492.17517	7.1
495.92816	3.5
556.26965	36.8
557.28021	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
57.03434	2.4
61.02926	1.1
62.35654	0.4
65.03941	1.9
65.58596	0.4
67.05524	0.4
69.03440	3.2
70.67564	1.3
71.01361	0.5
73.02907	4.5
79.05501	0.7
81.03413	0.6
81.07039	0.8
83.04964	0.5
85.02911	6.6
88.38197	0.4
91.05482	100.0
92.05813	2.0
93.07061	0.5
95.04982	0.7
97.02893	6.4
101.21058	0.5
103.03973	0.6
103.05462	7.9
105.07018	1.5
107.04958	1.1
109.02877	0.6
110.19725	0.5
115.03945	1.9
117.06982	1.1
121.06474	0.5
127.03901	1.8
129.06989	0.8
131.04930	14.4
131.05927	0.8
133.04979	2.0
133.06476	0.7
137.05974	7.0
145.04965	1.3
145.06396	0.7
151.03935	1.6
153.05580	0.5
153.06978	0.6
157.06532	0.6
159.08008	0.9
161.06050	0.6
163.07501	5.9
165.09134	1.7
167.03421	1.5
171.08031	0.6
175.07547	0.5
176.08163	0.6
177.05457	0.7
189.09131	0.7
195.10255	0.5
197.30727	0.5
227.06981	0.8
235.09714	0.5
245.08118	2.2
279.10339	0.5
335.09503	5.1
336.09851	0.6
394.22470	0.7
533.37543	0.6
555.27606	1.8
556.28497	12.1
556.37463	1.1
557.29468	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.9
57.03447	8.8
61.02919	5.1
65.03932	2.3
69.03433	12.8
69.11626	1.0
69.39806	4.0
69.40236	3.3
70.06565	1.4
71.01335	1.6
73.02921	18.8
81.03405	2.0
85.02911	26.1
91.05480	100.0
92.05824	2.1
97.02888	17.5
105.06971	1.5
109.02877	3.1
111.04433	1.1
115.03925	6.4
116.83980	1.0
119.04939	1.0
127.03931	8.2
129.07047	1.7
131.04938	2.3
133.02820	1.8
133.04974	10.0
137.05977	10.9
145.04945	10.5
147.04506	1.3
147.74524	1.1
149.02371	1.7
151.03934	2.4
151.07516	2.2
153.05415	1.3
161.05965	1.3
163.06061	2.9
163.07539	2.6
167.03416	4.0
175.07515	4.5
176.07874	1.9
179.06950	1.5
179.08507	0.9
181.08501	1.5
217.08586	1.1
227.07007	1.0
229.10878	0.9
233.04535	1.9
235.09639	1.7
241.07121	1.7
245.08090	4.7
251.05437	1.5
257.08005	1.2
259.08072	1.3
290.52591	1.0
293.08096	2.1
311.09091	3.2
323.09186	5.5
327.12381	1.1
335.09256	1.3
341.10254	4.7
343.11642	1.3
357.13153	1.9
358.14230	2.3
359.11145	2.6
361.16290	1.2
371.11108	2.2
382.13480	1.3
389.12201	1.4
401.15860	3.5
414.16092	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.05511	45.6
56.05851	1.1
57.07074	1.0
62.31034	0.7
67.05518	0.8
69.87079	1.6
69.87452	3.4
73.29613	0.7
81.07066	1.4
81.92949	0.8
83.04980	63.1
83.87762	0.7
84.05323	1.1
89.06026	4.8
93.07061	0.7
96.26871	0.7
98.23349	1.0
107.08594	0.8
119.08592	0.7
130.91000	0.8
133.08641	2.1
165.06975	10.5
167.08588	1.5
169.06493	1.0
177.07045	1.0
177.11186	1.1
178.96223	0.7
181.06526	1.4
193.06500	8.3
195.08047	1.2
209.05826	1.6
221.05956	16.2
222.06624	1.2
223.07445	1.3
225.05417	1.1
226.06293	1.2
227.07011	1.1
237.05527	2.0
238.06242	2.2
239.03433	0.9
239.06996	2.1
249.05440	22.6
250.05858	1.5
251.07056	11.3
252.07732	1.2
253.04961	12.0
253.08604	2.1
254.05556	1.5
264.04211	1.0
265.04984	3.5
266.05618	1.0
267.02985	1.0
267.06540	2.0
268.07339	1.1
269.08191	1.3
277.05087	0.9
278.05780	1.0
279.06516	100.0
280.06964	6.7
281.04443	50.8
281.07950	3.5
282.04980	4.9
282.07883	0.8
295.17194	1.3
296.06787	73.2
297.07416	16.4
307.05930	7.8
309.07675	1.1
310.08289	1.7
311.09128	14.4
321.07755	1.0
325.07126	1.7
339.08640	27.9
340.09027	1.3
371.22504	1.3
467.37125	0.8
538.40985	1.0
556.52838	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.5
55.05518	1.4
57.03435	2.3
57.38465	1.1
57.66055	1.0
61.02925	2.5
65.03944	1.2
67.05503	2.2
69.03441	5.7
71.04994	0.9
79.05489	3.2
81.03460	2.6
81.07047	1.8
85.02902	15.7
85.06522	1.1
91.05479	13.8
93.07048	3.4
95.04971	3.4
97.02892	5.8
99.08111	1.5
102.04677	1.3
103.05465	20.6
105.07046	9.7
106.06447	0.9
107.04970	9.2
107.08580	1.4
108.05714	1.3
109.02895	2.4
109.06533	2.8
111.04431	1.7
115.05450	1.0
119.04942	14.6
121.06486	6.2
122.03683	1.4
123.04449	2.4
123.08069	6.0
125.05993	2.0
127.03918	1.8
129.07018	1.1
130.04146	5.5
131.04927	74.2
131.08571	1.1
132.05269	1.6
133.02869	4.3
133.06497	6.0
135.04359	2.1
135.08060	4.6
136.05212	1.8
137.05980	21.6
138.06732	2.3
145.04956	2.5
145.06442	1.4
147.04424	13.4
149.05988	13.6
150.06738	3.8
151.03925	3.5
151.07541	24.1
153.05460	9.4
161.05991	23.6
161.09624	2.9
161.34599	0.9
162.06769	17.0
163.07542	100.0
163.24609	1.0
164.07953	3.8
165.05457	4.9
167.06984	4.7
169.08630	2.7
173.06006	2.2
175.07474	5.1
177.05467	9.8
179.07033	35.5
180.07408	1.4
181.08598	12.5
189.09093	8.2
191.07056	2.8
197.08089	25.8
199.54219	1.0
205.08707	1.8
207.10149	11.6
209.08076	1.5
209.15430	2.9
217.08682	1.6
221.09714	1.7
223.09642	6.4
227.16412	7.4
235.09641	2.1
235.74088	0.9
245.17433	5.1
249.09326	1.6
253.08475	2.3
281.08350	1.6
281.11813	1.8
285.11270	1.7
297.11115	1.1
309.11218	2.3
313.10776	1.4
327.12274	43.5
328.12619	4.3
347.14929	5.3
355.15524	2.9
359.14890	24.5
360.15277	3.0
377.16006	13.2
382.13803	1.6
394.22394	2.5
557.22083	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51284	5.0
55.86928	4.6
63.01867	5.2
64.84681	5.1
65.03943	5.7
69.03456	6.0
70.45660	7.1
70.46001	11.6
79.05527	6.0
85.02899	22.7
91.05495	10.4
103.05492	30.9
105.06977	6.9
107.04948	44.1
121.06530	10.9
125.06017	5.5
127.01097	5.3
131.04921	38.8
132.05252	6.1
133.06540	6.0
135.04468	8.8
137.05989	100.0
138.13789	5.4
147.04396	16.1
149.05997	16.4
150.06808	6.4
151.03896	63.5
151.04959	8.8
151.07547	9.0
153.05437	9.4
161.05994	19.8
162.06746	6.1
163.07542	94.9
165.05569	7.0
175.07549	8.8
178.06287	16.2
179.07028	27.6
181.08566	38.8
195.06535	14.2
197.08075	10.2
207.10161	16.6
297.11014	6.8
327.12274	32.4
329.13800	13.9
345.12491	6.5
359.15039	25.5
377.15967	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34758	1.7
58.98035	1.9
65.03905	1.9
69.03432	3.6
70.00263	9.2
73.14408	2.0
76.65694	2.1
79.05482	2.3
85.02895	9.9
91.05480	2.4
94.04205	2.7
97.02898	3.5
103.05443	3.2
107.08567	2.4
109.06505	2.4
122.03627	5.4
127.03856	2.3
128.06233	2.5
129.07008	9.4
131.04912	11.7
137.05981	100.0
138.06343	3.0
145.04990	3.1
145.06479	2.8
146.07298	2.1
147.04413	3.5
149.05977	5.5
151.03847	2.4
151.07529	3.8
153.05511	3.2
153.09097	2.1
157.06493	9.2
160.05211	2.4
161.05925	2.5
163.07515	5.2
165.82680	2.4
172.05202	3.8
174.06775	5.5
175.07518	22.9
187.07558	34.9
189.09105	24.6
203.08620	3.3
205.08585	7.6
217.08607	17.8
219.08124	4.2
231.08070	5.8
235.09630	12.9
247.07518	4.2
248.08347	3.8
251.10637	3.5
259.07443	3.1
263.10675	6.9
270.08890	5.0
276.07864	3.1
279.10187	9.4
283.09454	2.3
291.10150	14.9
292.10724	2.2
311.12802	16.3
323.12762	19.0
329.13797	5.4
341.13824	28.8
391.12057	2.9
557.20740	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06879	3.8
55.01863	4.5
57.81040	4.1
70.86512	6.9
70.86832	6.8
85.02888	9.9
90.86887	4.4
91.05494	12.4
98.80314	4.2
101.91613	3.9
103.05479	11.1
119.04993	4.7
122.03646	9.2
127.17902	5.2
129.06970	7.8
131.04936	17.2
137.05975	100.0
147.04390	7.2
149.05980	9.1
151.07542	11.2
153.05583	5.7
157.06415	8.0
161.06042	7.6
163.07518	11.0
164.16577	4.3
175.07521	14.2
179.07027	7.6
187.07535	22.8
189.09106	18.4
203.08488	4.6
205.08598	6.7
217.08527	19.7
235.09634	16.3
257.28458	4.0
263.10565	5.0
279.10007	4.4
291.10223	13.2
309.11166	5.5
311.12833	11.0
323.12738	16.3
327.60867	4.3
329.13599	6.0
341.13742	23.6
502.34332	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.254
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05637	56.2
96.42432	18.7
99.97163	16.4
105.03380	93.8
114.07250	45.6
127.65486	19.8
161.62962	20.1
170.44981	16.6
220.69183	20.8
247.15559	20.6
250.37244	19.7
282.25989	100.0
287.65140	18.8
336.13547	24.7
399.18118	40.6
512.06207	18.8
538.11993	21.5
556.21411	34.7
556.29614	50.3
557.31018	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21381	0.6
62.89595	0.6
70.06586	2.3
70.42761	1.5
81.07059	0.9
91.05478	5.5
103.05450	1.4
105.07022	3.4
107.04958	3.0
109.06494	0.8
115.05472	1.5
119.04929	3.0
121.06525	2.8
122.03677	1.3
128.06227	1.0
129.07036	3.7
130.06529	1.1
131.04913	2.8
131.08560	3.8
133.06487	1.0
135.08025	1.6
137.05975	19.8
141.07037	0.7
145.06483	1.0
146.03610	0.9
146.07253	3.8
147.07988	1.5
148.05202	3.5
149.05942	0.9
151.03841	0.8
151.07529	7.2
155.08498	0.8
157.06497	3.6
159.08023	1.2
159.09174	1.4
161.05978	100.0
161.09610	22.6
162.06334	2.7
163.07526	3.1
165.09215	0.8
174.06764	2.8
175.07545	10.2
177.09135	1.7
185.05946	1.0
186.06787	0.9
187.07475	1.4
189.09102	52.0
190.09406	2.0
191.07010	1.9
195.10144	2.6
198.06746	1.8
199.07661	0.8
201.09123	1.6
205.08701	0.9
207.10162	99.2
208.10538	2.3
213.09093	2.4
215.10634	0.9
219.10139	2.2
221.05865	1.2
225.09100	1.9
235.07423	1.2
237.09009	1.1
237.11308	0.9
243.10104	2.2
247.07635	0.8
249.09082	1.9
261.09018	0.8
265.08533	1.8
273.11105	3.6
277.08789	1.2
283.09430	0.7
285.11096	1.9
290.09531	0.7
291.10217	1.6
297.11224	3.9
299.12967	1.0
307.09763	1.2
309.11148	1.8
311.12854	5.0
313.10699	0.8
315.12094	1.1
323.12747	2.4
327.05798	0.8
334.32010	0.7
337.14328	6.5
344.09488	0.7
353.13660	0.8
354.14557	0.9
355.15402	20.9
356.15820	1.2
367.15326	3.5
385.16333	1.4
397.16446	19.5
398.16669	1.4
431.17038	0.8
461.19403	2.0
479.20642	3.3
509.21820	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22821	3.1
57.67197	2.8
57.82719	2.7
61.92692	2.8
65.03952	3.8
68.42421	3.1
71.32477	6.1
71.47924	3.1
74.98011	2.9
93.07072	3.5
93.75047	3.0
105.03384	11.0
106.03781	3.4
121.02876	50.7
155.96913	3.4
198.57797	3.2
229.68448	3.4
255.06517	3.8
291.09897	3.6
295.13522	4.1
298.08423	4.3
301.10632	3.4
302.08118	3.7
309.14816	3.8
313.10733	6.1
318.11099	7.0
323.12753	12.4
327.12097	7.3
328.12888	4.8
331.10928	4.0
332.12573	8.7
337.14377	14.4
338.15103	7.2
339.12256	4.7
345.13300	4.8
355.15390	9.8
369.16959	13.2
370.17715	16.2
396.43243	3.3
401.19556	100.0
402.19867	6.0
416.17673	4.4
417.17987	9.5
521.21338	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41808	2.6
55.01875	3.8
55.05517	10.1
57.03438	6.9
59.05010	2.4
69.03433	12.5
70.06587	3.8
71.29267	5.6
73.02923	16.0
79.05473	3.9
81.07036	8.2
83.04999	11.1
83.08610	9.8
85.02901	22.2
91.05482	5.1
93.07057	7.0
95.04984	18.7
95.08617	5.3
97.02887	20.4
97.13138	2.8
99.04470	5.7
105.07061	8.5
106.62707	2.7
107.08588	15.7
109.06546	5.7
109.10153	12.0
115.03941	7.0
119.08582	4.4
121.10118	16.4
123.04426	14.0
123.08077	4.2
123.11722	4.4
123.45971	3.0
125.09605	4.7
127.03947	4.1
131.04906	3.9
131.08522	3.2
133.04993	5.6
133.10120	12.4
137.06020	10.9
143.08574	2.8
145.04982	8.2
147.04428	4.3
149.13301	3.5
151.07538	8.4
151.11183	13.4
153.09148	6.5
163.14908	7.2
167.14307	15.0
167.85490	2.7
173.13293	8.6
187.07594	4.5
189.09067	4.9
191.14317	11.9
197.08078	5.3
203.03258	3.2
209.15370	100.0
210.15764	2.9
211.96083	2.9
222.06252	3.1
227.16428	16.5
232.09695	10.3
240.36964	2.6
245.04680	3.3
394.15085	10.4
405.06091	6.5
407.07449	3.2
557.10852	9.3
557.22156	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.4
55.05511	12.2
56.87111	2.1
57.03436	4.6
57.63417	2.4
61.02942	2.4
67.05501	2.7
69.00799	6.4
69.01208	15.4
69.03426	8.4
69.07066	4.9
70.06587	6.4
71.05020	2.5
73.02916	14.8
74.51551	1.7
79.05487	2.6
81.07039	5.6
83.04980	8.3
83.08621	8.7
85.02904	21.8
86.09705	2.4
91.05473	2.9
93.03387	2.1
93.07055	8.4
95.04958	11.8
95.08613	4.5
97.02892	14.2
97.06544	3.9
98.23338	5.1
103.05481	3.4
105.04612	1.9
105.07053	4.8
107.08598	8.2
109.02863	2.6
109.06522	6.5
109.10149	7.6
111.08121	2.3
114.55998	1.7
115.03951	5.4
115.05424	2.6
115.07545	1.9
117.06995	2.6
119.08577	2.3
121.10148	18.3
122.65305	2.3
124.60423	1.9
125.06034	2.8
125.09635	3.2
127.03916	4.9
128.06227	2.4
129.07010	9.0
131.04927	10.8
131.08562	3.3
133.04967	7.7
133.10146	11.5
137.05972	58.9
139.11188	2.4
143.04907	3.7
144.08070	36.8
145.04973	5.7
145.08389	19.1
147.04388	2.4
147.11632	2.2
149.13243	6.0
151.11212	12.3
153.05437	2.9
153.09105	3.7
157.06445	11.7
159.09169	2.2
160.05188	4.0
161.10805	4.1
162.11072	2.4
163.06155	3.8
163.07555	6.2
163.14879	4.8
167.14336	15.3
173.13283	7.6
174.06699	4.4
175.07547	17.8
185.05940	2.1
187.07536	21.0
189.09100	17.4
191.14268	12.0
205.08655	4.0
209.15367	100.0
210.15750	3.9
217.08629	6.2
227.16428	9.3
231.08179	2.5
235.09738	2.6
248.08374	2.3
270.08990	3.3
276.83493	2.2
279.10345	4.7
291.10098	3.5
311.12646	9.9
323.12604	10.1
335.38678	2.4
341.13956	13.4
425.14038	5.6
557.17920	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.05502	2.3
67.05500	3.0
69.03423	2.8
69.07054	1.8
70.48086	2.3
71.04959	1.3
79.05495	5.2
81.03420	2.6
81.07062	8.3
83.04981	1.8
87.53207	1.2
91.05478	7.4
93.07067	7.0
95.04936	1.2
95.08589	5.4
97.02886	10.5
97.06527	1.0
99.04447	2.0
105.07029	6.7
105.74057	1.0
107.08592	2.5
109.02896	2.5
109.06532	4.2
109.10143	1.8
111.04446	1.4
111.08063	2.1
115.05482	1.4
117.07036	4.3
119.08605	5.5
119.63305	1.0
121.06466	2.5
121.10126	1.3
123.08112	1.3
128.06255	1.8
129.06990	4.6
131.08556	6.7
133.10147	9.9
135.08076	2.3
137.05991	14.1
141.07005	3.6
142.07773	2.9
143.08586	5.5
145.10115	4.3
147.08046	1.8
147.11678	3.7
154.07741	2.3
155.08528	15.8
156.09366	2.2
157.06454	1.3
157.10153	4.6
159.08052	2.7
159.11665	5.3
161.09621	2.4
165.07031	2.1
167.08612	5.2
168.09375	2.3
169.10126	8.1
170.10823	2.0
171.08057	2.7
171.11673	6.5
172.08856	1.2
173.09641	2.3
177.09076	1.2
178.07707	1.9
179.08629	6.9
179.09991	1.4
180.09341	1.8
181.10094	5.1
182.10873	1.8
183.11736	3.5
185.09625	2.6
185.13283	2.2
187.11137	3.2
189.09073	1.2
192.09344	3.2
193.10152	6.6
194.10809	2.3
195.08037	3.6
195.11745	4.4
197.09612	9.6
197.13335	3.1
199.11255	1.4
203.08469	1.1
205.10138	2.6
206.10924	3.6
207.11723	7.2
209.13258	6.7
211.11217	2.0
211.14819	2.0
213.09119	1.3
215.10654	11.8
216.09293	2.6
216.17499	1.2
217.10135	2.3
217.12102	1.2
218.10945	2.7
219.11708	6.1
220.12416	2.6
220.67479	1.1
221.09642	1.4
221.13239	4.2
223.11125	2.2
223.14856	1.8
225.12709	1.7
227.14287	2.0
229.10130	1.6
230.10854	2.1
231.11685	3.3
232.12460	2.8
233.09631	1.3
233.13339	3.3
234.13971	1.4
235.11269	1.4
243.11601	3.0
244.12459	3.5
245.13264	4.4
246.13937	1.7
247.11169	2.9
247.14799	2.9
249.12674	1.7
255.11559	1.2
255.13863	5.6
256.12567	1.3
257.13278	3.0
258.14008	4.0
259.11133	1.8
259.14923	6.1
260.15491	2.8
261.12683	2.3
261.16336	3.8
263.10629	1.3
263.14227	1.7
265.12335	1.4
267.13834	3.3
268.12390	1.3
269.13187	2.0
271.14893	2.0
272.15845	1.9
273.12683	2.0
273.16348	3.3
274.17218	1.1
275.14301	1.4
275.17822	1.8
277.15872	1.9
279.13980	1.3
281.72919	1.2
284.15503	1.4
285.12701	1.8
285.16263	2.3
286.17197	2.0
287.14206	3.0
287.17874	2.7
288.18793	1.1
289.16040	1.3
291.13730	1.6
297.16263	1.5
300.18784	1.7
301.15829	3.6
301.19418	2.1
303.17429	2.3
303.20767	1.7
305.15424	2.6
313.15671	1.5
319.16898	1.7
319.20514	1.8
321.18533	1.8
322.97424	1.1
327.17422	1.6
329.19049	2.8
331.20612	2.1
345.18326	1.6
347.20023	7.9
349.21616	3.4
359.19733	1.6
365.21048	4.0
368.19217	1.5
411.23300	1.8
415.22678	4.2
417.20819	1.2
429.24173	4.5
439.22751	5.9
447.24820	2.0
457.23734	37.6
458.24042	5.7
475.24805	100.0
476.25217	11.1
493.26068	7.7
538.28406	1.4
556.29724	10.0
557.30249	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.7
55.01863	2.4
55.05510	6.4
61.49486	1.5
66.43318	1.3
67.05501	10.1
69.06049	5.4
69.06478	9.4
69.07082	3.8
79.05479	7.9
81.03419	3.5
81.07058	8.6
83.04977	4.3
91.05495	10.1
93.07047	14.0
93.22318	1.6
95.04958	3.6
95.08605	14.5
97.06548	2.2
105.07036	11.4
107.04988	2.3
107.08581	8.4
109.10167	5.6
111.04452	2.6
111.08019	1.7
117.07030	4.6
119.08601	12.3
121.06516	4.0
121.10168	5.9
123.08069	4.2
124.80869	1.5
124.91587	1.6
128.06252	1.6
129.06995	3.1
131.08586	5.7
133.06528	1.9
133.10120	8.0
135.08067	3.3
135.11841	1.5
139.07538	3.7
141.06998	4.3
142.07794	2.4
143.08604	3.9
145.06429	2.3
145.10114	6.6
147.08109	3.2
147.11757	3.4
149.09644	2.9
149.10715	1.5
155.08606	4.7
157.10141	6.5
159.08070	2.1
159.11696	6.0
161.09610	4.6
161.13326	2.3
163.07642	1.6
167.08546	2.9
168.09235	1.5
169.10173	3.6
171.08043	2.8
171.11673	6.9
173.09648	3.1
175.11157	5.2
175.14850	2.0
179.08583	2.4
181.10069	3.4
185.09615	3.2
185.13231	1.7
187.11182	3.5
189.12784	1.8
192.09230	2.1
193.10077	4.0
195.11690	3.9
197.09607	2.4
197.13283	3.0
199.11261	1.6
206.10907	2.9
207.11707	4.9
207.17940	1.5
209.13287	5.4
211.11230	1.6
211.14838	2.0
219.11668	3.3
221.13197	3.7
223.11147	3.1
223.14815	2.4
225.12793	3.6
233.13144	1.8
235.11147	3.7
235.14876	1.8
235.16975	3.2
237.12794	2.5
241.12347	2.5
247.14743	4.4
249.12926	2.0
251.10767	2.0
253.12254	5.3
253.18007	3.2
261.12772	1.7
261.16400	3.2
267.13730	2.1
274.13596	2.1
275.14355	2.0
289.15924	3.5
293.15524	2.0
307.16953	4.5
333.18463	1.9
345.20441	2.5
401.24689	2.3
403.26370	2.7
415.26086	1.7
429.24274	12.3
430.25049	1.9
431.26031	1.8
443.25925	7.9
447.25278	36.4
448.25671	3.3
449.26968	1.8
461.26511	7.9
465.26212	9.4
475.24600	3.3
483.27429	100.0
484.27512	11.8
493.26007	10.4
511.27078	1.9
525.35687	1.6
530.76544	1.7
556.32184	4.7
557.33289	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
55.05493	1.8
67.05505	3.6
67.68673	1.6
69.03440	5.0
71.31092	2.9
77.35477	1.4
79.05502	3.6
81.07070	4.0
91.05489	8.2
93.07061	5.7
93.10530	1.6
95.08614	3.3
105.07042	9.0
107.04933	1.9
107.08639	5.2
109.06526	2.4
111.04462	1.8
115.05447	1.7
115.28094	1.4
117.07008	4.1
119.08559	11.0
121.06514	1.5
121.10207	2.3
123.08060	1.9
128.06209	2.3
129.07001	3.8
131.08606	7.9
133.06522	2.5
133.10149	2.0
135.08115	4.0
141.06982	2.4
142.07820	3.4
143.08592	4.2
145.06540	2.7
145.10172	6.0
147.08054	23.1
153.06993	2.1
155.08559	6.9
156.09326	2.6
157.06503	3.4
157.10158	9.1
159.08066	6.1
159.11685	3.4
161.09602	3.0
163.07556	1.9
165.06992	2.1
165.09090	3.9
167.08601	1.8
169.10083	8.0
171.07997	2.5
171.11694	5.2
173.09654	5.7
173.13278	2.7
175.07556	5.8
175.11238	1.7
177.09166	3.9
179.08556	1.9
181.10112	5.0
183.08051	2.2
183.11766	4.1
185.09645	3.1
185.13324	2.2
193.10121	3.0
194.10880	2.0
195.11702	3.9
197.09633	2.2
197.13200	2.7
199.11288	3.7
201.09009	2.6
207.11739	4.1
208.12321	2.6
209.13286	6.3
211.11200	5.2
211.14886	5.5
218.11102	1.6
221.09729	2.6
221.13271	3.0
223.11130	3.4
223.14850	2.7
232.12543	2.1
235.11249	4.0
235.14761	1.8
237.12912	2.2
237.16380	1.9
238.13533	1.9
239.10667	6.7
239.14362	3.2
249.12601	2.1
250.13857	1.8
251.14380	4.6
255.13843	3.5
257.11606	2.2
265.15948	3.4
275.14343	2.2
283.17120	1.8
411.23041	5.9
413.25006	1.9
417.20465	2.0
427.18811	3.1
429.24005	7.6
432.22913	4.5
435.21509	2.4
439.22778	5.5
447.25302	51.9
448.25766	4.5
449.27179	2.1
453.22629	2.1
457.23663	17.0
460.22778	3.6
475.24780	100.0
476.25058	11.4
493.25848	17.6
494.26205	3.2
556.28027	20.3
557.32776	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27124	3.2
53.03946	9.4
55.05518	27.1
63.36926	3.0
63.89046	3.1
67.05494	11.7
69.29165	8.0
69.29567	21.6
79.05515	9.4
81.03433	23.8
81.07065	8.5
83.04990	48.8
91.05474	32.6
93.07043	38.7
95.04935	8.2
95.08611	32.6
97.06555	6.9
99.04445	5.5
105.03383	7.9
105.07027	25.6
107.04976	5.5
107.08596	13.1
111.04442	11.5
111.08077	16.5
115.05479	4.6
117.07038	10.0
119.08576	52.2
121.06519	12.9
121.10221	4.8
123.08065	7.4
128.06244	12.5
129.07016	14.0
131.08563	21.1
133.06502	9.0
133.10121	37.5
135.08000	7.8
137.05959	5.8
139.07539	16.6
141.06947	10.9
142.07768	12.8
143.08615	22.0
145.06487	6.1
145.10114	22.7
147.04387	4.5
147.08025	16.0
147.11696	20.5
152.06168	4.8
155.08543	13.4
156.09299	6.5
157.06494	6.5
157.10089	26.7
159.04428	8.9
159.08023	11.5
159.11711	12.4
161.06010	9.7
161.09625	17.6
165.07001	8.3
165.08859	3.6
166.07803	7.1
167.08565	12.1
168.09338	7.8
169.10143	15.6
171.08063	17.5
171.11719	20.5
172.08875	3.8
173.09625	16.6
173.13199	4.8
174.06856	3.8
175.07573	18.5
175.11163	8.8
179.08577	6.9
180.09322	6.2
181.10123	7.7
183.08101	7.8
183.11652	12.3
185.09621	15.6
185.13232	5.9
187.07578	7.5
187.11157	13.4
189.09070	18.6
189.12741	6.3
193.10057	10.9
194.10927	5.4
195.08069	13.3
195.11720	14.7
197.06021	3.7
197.09592	10.7
199.07484	4.6
199.11263	9.7
199.14903	6.5
201.09113	5.7
201.12683	5.3
203.10654	9.8
206.11009	5.3
207.11685	10.3
209.09683	8.0
209.13268	8.7
211.07652	6.7
211.11209	29.3
211.14833	7.1
213.09097	15.2
213.12630	5.8
218.10846	8.2
221.09686	4.8
221.13261	5.3
223.11140	9.3
223.14822	5.1
225.12779	13.1
226.49071	3.6
227.10704	6.8
227.14252	10.0
231.09964	27.2
232.12529	4.7
233.13292	5.6
235.11240	6.9
237.12775	13.9
239.10756	7.2
239.14311	16.3
244.12508	4.4
245.13188	6.3
245.15450	13.5
246.10278	5.2
247.11119	5.1
247.14822	6.6
249.12764	6.8
251.14270	8.2
253.12373	6.5
257.13187	5.3
257.15451	8.2
259.11307	5.7
259.14783	4.4
261.12677	5.8
261.16470	7.3
263.10715	10.8
263.14035	4.7
265.12204	6.3
267.14017	4.7
269.13315	4.5
271.14871	6.1
273.12762	7.6
274.13470	4.1
275.14389	5.7
277.12338	3.6
277.15994	4.8
283.14679	5.4
288.14609	3.8
289.12378	6.4
289.15793	7.8
291.13931	6.0
297.07590	6.3
297.16281	7.5
299.14301	4.1
299.17841	6.6
301.15799	7.9
303.13843	4.6
307.16937	6.8
315.17447	9.9
317.15198	6.5
317.18839	5.4
319.16846	6.7
323.09167	13.0
325.17947	10.4
333.18585	6.9
337.18063	20.1
343.16577	4.6
345.18570	6.6
355.11841	8.9
357.09500	7.6
361.17935	10.2
367.11615	6.1
369.13660	4.7
375.20282	4.2
387.19318	6.4
393.22122	8.5
397.21436	7.5
401.24844	5.2
411.23309	21.0
413.24991	5.6
421.21860	7.3
429.24307	34.7
439.22665	36.7
447.25336	24.8
457.23825	68.4
458.24045	9.0
471.35284	4.6
475.24829	100.0
476.25183	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	5.3
58.99927	3.0
71.08631	3.3
71.26865	3.9
81.07075	6.3
89.06037	16.0
93.07027	16.7
98.23422	8.8
107.08586	9.6
109.10180	4.7
113.32616	3.3
117.30915	3.6
119.08631	4.6
133.08621	10.3
135.11678	18.0
147.11732	3.2
159.04210	3.8
162.83742	3.9
177.11261	4.5
188.00912	3.8
197.05963	4.2
199.07573	7.0
215.07002	3.5
218.13126	4.2
227.07080	23.8
244.07356	4.8
249.14893	7.6
255.06567	5.9
257.08099	5.5
271.06049	4.3
283.26233	7.4
285.07605	9.6
286.08380	8.3
287.09128	13.7
300.28882	4.2
317.10138	8.3
325.14346	8.6
353.17245	5.7
355.15454	20.1
357.16983	4.6
371.22827	5.0
387.17996	100.0
388.18344	6.2
473.63660	3.4
556.31104	7.3
556.53064	21.0
557.32373	4.3
564.38995	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05856	4.2
55.05510	12.9
59.76515	3.9
62.65367	3.8
65.26278	4.6
67.05494	7.5
69.07074	7.1
71.30731	6.5
79.05463	4.8
81.07085	7.9
83.04981	14.9
91.05486	11.8
92.86474	4.3
93.07052	16.9
95.08607	13.0
97.06503	6.3
105.07025	12.4
107.08553	6.1
111.04491	7.4
119.08578	19.9
121.10133	7.1
130.02617	4.5
131.08574	9.1
133.10106	8.6
135.08075	5.4
141.07063	5.9
143.08514	10.4
145.10123	7.9
155.08548	14.4
156.09326	6.6
157.10225	23.0
159.07965	4.1
159.11707	6.7
169.10133	12.6
171.11682	13.7
173.13181	6.2
181.10068	5.1
192.24834	4.5
193.10187	9.5
194.10822	5.0
194.44832	4.7
195.11647	9.6
195.24307	4.9
197.13261	9.2
199.11182	14.5
205.10332	6.6
207.11740	7.7
209.13271	12.5
217.12180	11.3
219.11687	8.5
221.13295	7.1
223.14667	5.6
224.96605	4.6
231.11581	5.1
233.13290	7.8
245.13380	8.2
246.14081	7.1
247.14742	9.9
261.16275	8.0
267.13904	5.6
287.18158	7.8
289.16220	5.3
303.17252	4.8
321.18417	6.0
401.24750	98.7
402.24973	8.1
402.32111	5.0
415.26285	6.7
417.27817	12.5
443.25928	37.5
461.26877	100.0
462.27161	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43460	1.6
53.03954	1.7
55.01872	3.6
55.05516	10.1
56.66253	1.8
57.03431	10.7
57.07077	39.8
58.06590	2.1
65.03950	1.9
67.05506	21.9
69.07065	9.9
69.25076	12.0
70.06585	10.0
71.08633	23.8
79.05489	19.9
81.07049	24.3
83.04979	1.9
83.08620	10.0
85.10188	12.7
88.07647	5.0
89.06044	7.4
91.05480	6.2
93.07043	29.7
94.57222	1.7
95.04957	3.4
95.08596	41.6
95.09163	3.3
97.02908	2.3
97.06541	2.7
97.10171	5.2
98.23280	3.6
99.04501	2.9
99.84853	1.7
102.09185	5.0
103.07659	1.8
105.07044	5.6
107.04980	6.6
107.08591	19.5
109.10159	5.5
117.07034	6.0
119.08605	6.9
121.06474	3.5
121.10161	7.7
132.10185	3.4
133.08598	3.5
133.10112	2.3
135.11687	30.6
145.10135	21.6
146.11766	4.7
161.18449	1.9
163.11186	46.0
177.11241	4.5
181.12274	5.8
185.19666	2.1
227.12778	75.8
228.13148	3.3
239.23653	2.0
256.26324	10.3
268.91556	1.9
283.15381	62.8
283.26279	32.4
284.15936	2.6
286.89761	2.1
300.29031	15.4
311.29611	5.0
313.27341	100.0
314.27750	6.5
371.22842	1.8
503.96042	1.8
509.78043	1.9
521.38342	66.4
522.38605	7.4
556.52954	85.5
557.52850	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
70.11691	1.9
74.27762	1.9
77.00893	2.8
89.00881	2.5
91.98257	1.9
97.95992	2.1
101.00894	4.8
107.69473	2.0
111.80060	1.8
112.89611	6.5
119.01911	4.7
127.02386	3.4
131.01918	4.1
139.02390	5.4
143.01956	5.9
145.03484	8.8
155.01923	3.0
157.03510	11.5
169.03470	4.7
173.03050	4.1
185.02968	6.2
199.79585	2.0
203.03998	10.7
221.02995	3.4
221.05070	36.3
222.05260	2.4
225.72978	2.2
239.06120	36.2
263.06140	44.7
264.06528	3.5
275.06128	100.0
276.06332	6.4
287.06046	4.0
289.07657	8.8
291.05670	10.7
305.07208	11.5
317.07346	4.1
365.09290	21.2
365.59308	2.8
377.09296	9.0
383.10193	16.2
395.10556	6.4
462.72247	2.1
466.09460	2.1
539.14612	25.2
540.14899	3.4
557.15723	21.5
558.16199	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	6.3
67.05498	0.9
68.78215	0.8
71.08627	4.6
71.95245	0.9
83.04951	1.0
85.10183	3.1
85.21372	0.8
89.06031	9.1
97.10159	0.8
103.75555	0.9
105.07019	1.1
111.11646	0.9
133.08635	5.6
135.55086	0.8
170.23906	0.8
170.69228	0.7
177.11214	2.0
178.20854	0.9
186.88539	0.9
194.18320	0.7
229.35217	1.0
231.07951	0.9
233.09630	1.3
234.10497	1.0
247.07579	1.9
249.09021	2.4
250.09668	1.3
259.07703	1.2
261.09070	2.2
262.09854	5.5
263.06998	1.1
265.12152	1.7
277.08539	2.2
277.12271	3.1
278.09409	3.2
280.11023	1.0
289.08524	1.0
290.09286	2.2
291.10153	2.6
292.10825	3.7
293.08456	1.6
293.11664	9.2
305.08041	4.3
305.11694	4.5
307.09808	1.5
307.13327	2.6
308.10318	2.6
308.13983	2.8
319.09473	1.0
320.10416	13.7
321.11157	8.9
323.12759	5.1
335.12747	100.0
336.09561	1.0
336.13251	13.2
351.08252	1.4
351.12231	13.7
352.12576	1.9
365.13828	4.7
366.14603	73.0
367.15121	8.7
397.16464	34.4
397.20609	0.7
397.21707	1.3
398.16602	2.4
556.53052	1.3
557.15656	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84193	3.5
51.43625	3.5
53.03939	6.4
55.05270	6.0
55.05515	77.6
55.48542	3.7
67.05513	8.3
69.10208	34.1
79.05503	8.1
81.03420	4.7
81.07056	6.5
83.04985	100.0
91.05477	10.9
93.07066	6.0
95.08621	6.3
98.73602	3.8
99.04449	13.2
105.07040	7.6
106.99654	4.1
109.06493	4.7
119.08585	12.0
127.03902	7.1
131.08566	6.3
133.10172	7.4
143.08517	4.4
145.10112	4.7
147.08023	5.0
154.07784	3.7
157.10117	6.0
159.11682	4.5
165.07130	4.1
181.10052	5.6
203.89218	4.8
207.10162	14.9
211.11168	4.2
225.41032	4.4
231.10143	4.1
237.09181	5.7
239.07187	6.1
251.03474	4.0
253.05023	7.1
263.06992	4.8
264.07904	4.6
265.04959	12.5
265.08643	8.5
266.05713	6.5
267.06619	6.4
279.06494	8.0
280.07306	8.3
281.04260	6.1
285.07477	4.7
291.06458	6.2
293.04453	5.4
293.08136	10.7
294.05420	5.5
294.08783	7.0
295.06201	6.7
295.09711	7.7
296.06808	6.0
297.07602	33.8
298.08093	5.4
302.33768	4.2
307.06000	6.9
309.07507	10.2
309.10867	4.7
311.05362	12.1
311.08960	5.7
313.07025	15.5
314.07782	9.3
322.08279	6.3
323.09131	47.5
324.09839	12.0
325.06982	10.7
325.10553	7.0
326.07773	23.6
327.08688	9.1
328.09348	7.4
329.10107	15.4
337.07074	5.8
337.10791	7.5
337.17905	5.5
337.93762	4.4
338.11438	5.6
339.08591	4.8
339.12494	5.0
340.09491	10.4
341.10077	5.3
348.09891	5.6
353.10403	20.6
355.11829	21.6
357.09692	43.5
364.09351	6.1
365.10037	7.1
366.10977	6.6
367.11685	18.0
369.13199	6.1
379.11740	17.3
397.12769	15.7
410.13705	6.8
412.23291	4.5
418.19586	4.9
430.24490	5.4
455.16757	7.1
458.24121	10.7
476.25095	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.3
55.01881	2.9
55.05512	79.1
57.56046	1.6
59.32251	1.5
67.05507	7.6
69.03437	3.0
69.07075	3.0
78.17814	1.5
79.05494	8.1
81.03429	10.1
81.07056	11.4
81.66566	1.6
83.04987	100.0
83.08628	1.6
84.05351	2.2
91.05482	13.3
92.05823	2.2
93.07063	13.8
95.04997	6.7
95.08603	11.9
97.56680	1.9
99.04459	13.6
105.07046	9.8
106.07395	1.6
107.04993	2.1
107.08607	7.6
109.06540	6.0
109.10188	2.1
111.04452	4.3
111.08090	3.9
117.07056	5.5
119.08588	18.0
120.08932	2.3
121.06557	4.6
121.10159	1.8
123.08082	2.5
123.11691	1.6
127.03928	6.6
128.06247	3.3
129.07082	3.1
131.08591	9.1
132.05724	6.7
133.06516	2.4
133.10170	11.2
134.10443	2.3
135.08049	2.1
137.02332	1.7
139.07568	5.5
141.06981	2.2
142.07767	3.7
143.08594	7.9
145.06454	2.2
145.10147	5.5
146.10692	1.7
147.08070	6.3
147.11684	3.9
152.06172	1.6
153.07047	2.1
155.08549	5.6
156.09460	1.5
157.10143	6.5
158.10449	1.8
159.08072	3.2
159.11690	2.9
160.08369	1.8
161.05980	3.4
161.09677	4.9
163.11169	3.9
165.07072	2.7
169.06462	3.8
169.10092	3.9
170.10837	1.6
171.08083	5.3
171.11707	6.1
173.05980	1.8
173.09691	6.2
175.07596	5.4
175.11198	2.0
179.08557	2.7
179.10773	2.1
181.10146	1.8
182.10919	1.8
183.08202	2.1
183.11739	3.8
185.09668	3.8
185.13271	2.4
187.07506	1.8
187.11200	5.1
189.09131	3.1
192.09288	2.0
193.10199	2.1
194.07387	2.5
195.06465	2.4
195.08084	3.5
195.11719	2.1
197.09581	3.7
199.11133	3.5
203.08592	2.2
203.10674	1.8
207.08316	2.9
207.10098	15.6
207.11621	1.8
209.06029	3.0
209.09714	4.1
209.13217	4.1
211.07506	3.0
211.11229	6.1
212.11748	2.6
212.41251	1.9
213.05316	1.6
213.09155	4.5
214.06259	1.9
215.10574	1.7
219.07993	2.0
219.11671	2.8
221.09683	2.2
221.13292	3.6
222.06825	3.3
222.10379	2.0
223.03964	2.2
223.07521	4.1
223.11186	3.1
224.11636	2.1
224.45245	1.6
225.05479	4.2
225.12837	3.0
227.10701	1.9
227.12625	2.4
227.14546	1.9
231.10031	3.8
233.06026	2.1
235.07568	2.2
235.11087	2.0
237.05507	4.1
237.09065	2.2
237.12796	2.9
239.06969	3.6
239.10670	2.1
239.14290	3.9
240.07773	1.9
249.05505	3.7
250.06366	4.6
251.03455	5.2
251.06982	4.0
253.04961	2.4
253.08537	2.3
255.06674	2.8
255.09987	1.9
263.07077	6.8
264.07788	3.9
265.05066	8.1
265.08533	9.0
265.12180	2.0
266.05759	8.8
267.06589	7.6
268.07324	4.1
269.08096	3.6
271.06027	3.6
278.09528	2.2
279.03558	1.9
279.06601	9.6
279.10181	2.0
280.07303	4.8
281.04465	6.8
281.07977	4.2
282.05280	4.0
283.06104	5.9
285.07578	2.7
291.06656	2.5
291.13895	2.2
292.07303	5.9
292.14038	1.9
293.04922	3.0
293.08105	7.7
294.05130	5.9
294.08838	4.7
295.06107	5.2
295.09689	7.0
296.06812	6.3
297.04303	2.2
297.07565	25.0
297.10767	3.3
298.08173	2.0
299.05643	4.0
299.09000	2.7
305.08185	3.3
306.08786	2.2
307.05978	6.0
307.09485	3.6
308.06879	6.1
309.07626	6.9
309.11124	3.9
310.04758	3.6
310.08115	3.7
311.05502	11.5
311.08969	2.5
312.06015	2.5
313.07111	12.1
314.07846	5.9
315.08487	2.0
315.17444	2.5
322.08334	7.2
323.09137	46.0
324.09906	11.7
325.07056	14.9
325.10767	4.5
326.07822	20.2
327.05215	2.0
327.08643	6.3
328.09311	8.3
329.10190	9.1
335.09061	2.7
337.07202	2.7
337.10757	9.8
337.18002	3.2
338.11313	2.5
338.18262	2.8
339.08652	4.3
339.12421	4.2
340.09482	11.5
341.10077	4.1
342.07120	2.2
348.09894	4.2
349.06943	2.6
349.10776	4.0
352.09366	4.4
353.10199	17.7
354.10962	2.2
355.11804	21.6
356.12253	2.5
357.09680	38.4
358.10065	3.0
364.09293	3.8
365.10083	7.2
366.10913	6.9
367.11630	12.6
369.13464	5.8
379.11664	13.5
397.12827	14.2
410.13690	9.8
412.23462	2.1
429.24405	3.7
430.24603	7.6
433.94434	1.9
440.14453	4.7
440.23129	5.0
448.25464	4.7
455.16934	4.2
457.23843	9.2
458.24091	14.0
475.24881	10.1
476.25302	17.6
491.93878	2.0
539.32916	2.3
557.34448	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.8
69.03427	0.6
69.42963	1.5
73.02905	0.2
79.05485	0.5
81.07008	0.3
83.04982	0.3
83.08614	1.9
85.02885	0.5
91.05469	0.5
93.07074	0.3
95.04939	0.3
95.08614	0.3
97.02876	0.9
97.06524	0.4
99.04462	0.3
105.07014	0.3
107.04959	0.6
107.08587	1.4
109.02643	0.4
109.06474	0.3
109.10148	0.3
111.08152	0.3
119.08627	0.4
125.09689	0.5
127.03683	1.4
131.04955	0.3
135.11684	0.4
136.36871	0.2
137.05939	1.4
141.05261	0.5
141.23898	0.2
151.03934	0.7
151.07585	0.4
153.12764	0.7
155.03152	0.6
157.04738	0.3
161.05984	0.8
162.06609	0.3
163.07571	0.3
163.11163	0.3
169.04729	1.0
171.02661	0.8
173.04224	0.7
181.12247	0.3
185.04262	0.5
189.09129	0.5
200.38394	0.3
201.03780	0.7
203.05226	0.6
205.08411	1.4
206.09013	0.3
207.10167	0.7
215.05247	0.4
219.10175	0.8
229.06908	0.5
245.11534	2.1
256.83679	0.3
263.12659	0.7
264.12955	0.3
273.11270	0.7
275.07367	0.4
289.09027	0.2
299.07349	0.4
301.08960	0.7
311.14883	0.3
313.14474	0.4
317.08334	1.7
327.14346	0.5
331.15436	0.5
333.07898	8.0
335.09457	4.6
361.11102	0.9
397.18655	0.5
415.49408	0.3
425.17834	3.1
459.18298	1.7
529.22278	1.9
557.22009	100.0
558.22400	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2359
Annotation	Terreulactone D
Peak:m/z	Relative Intensity
51.94049	0.6
70.35323	1.0
70.35666	1.4
74.78577	0.5
79.05484	0.7
91.05450	0.6
95.05016	0.8
95.35939	0.6
105.07071	0.9
115.05415	0.9
123.04405	0.6
137.02370	1.1
137.06026	1.3
149.05737	1.5
149.70146	0.6
153.27602	0.6
163.04001	0.6
163.07379	0.7
176.08163	1.4
187.11008	0.8
201.08997	0.9
205.08308	1.6
215.10556	0.9
229.12068	2.0
247.09396	1.4
247.13174	3.8
261.11044	1.0
275.13156	0.7
285.14563	0.9
289.10422	4.1
303.15646	3.8
319.11591	1.1
331.15250	2.4
335.09250	0.9
355.15149	0.9
373.16263	4.8
374.17026	2.1
375.17569	1.7
391.17365	1.3
395.23920	1.2
401.16235	0.9
451.20370	0.8
453.18866	0.7
465.18970	0.8
475.59702	0.7
493.22052	0.8
511.23257	2.0
521.21637	4.2
539.22528	100.0
540.22815	10.4
557.23096	74.8
558.23541	8.2
570.26782	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2361
Annotation	Terreulactone D
Peak:m/z	Relative Intensity
60.71175	0.2
65.56651	0.2
69.12394	2.1
70.44651	0.2
80.24773	0.2
93.07069	0.3
98.23479	0.3
105.07057	0.3
121.06453	0.3
125.30363	0.3
137.05913	0.4
139.02419	0.2
201.35313	0.2
397.12393	0.4
401.15924	0.6
440.62869	0.3
459.27197	0.4
471.16083	2.0
483.19904	1.4
521.28113	0.4
539.22424	3.3
540.22601	0.6
557.23444	100.0
558.23907	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	0.3
51.02382	0.4
53.03949	0.9
54.09319	0.2
55.01849	0.3
57.03432	0.2
60.15613	0.2
65.03934	0.3
68.49849	0.2
69.03448	0.4
70.35037	0.8
77.03938	0.6
79.05506	0.5
83.04990	0.3
84.49371	0.2
85.02888	0.3
91.05485	3.4
92.05816	0.7
93.03432	0.3
94.04176	1.2
95.04972	0.8
102.04680	0.4
102.55089	0.3
103.05467	48.6
104.05816	1.4
105.04519	0.3
105.07023	0.4
107.04950	1.8
111.04434	0.8
119.04955	0.5
121.06486	0.7
122.03654	1.6
125.05944	0.5
128.06171	0.3
131.04926	100.0
132.05235	3.2
135.04430	0.4
137.05974	34.7
137.30957	0.3
138.06323	1.0
147.04364	0.5
148.05164	0.3
149.05997	0.5
151.03900	0.8
151.07503	0.6
153.05476	0.4
161.06026	2.0
163.07541	29.7
164.07965	0.9
165.05542	0.3
165.07018	0.4
165.09140	0.3
167.08568	0.3
175.07573	0.8
177.05400	0.7
177.09142	0.3
179.07013	0.5
181.06503	0.4
181.08583	0.8
181.09985	0.3
183.08153	0.4
187.07567	0.5
189.05452	0.3
189.09081	0.7
191.06938	0.4
201.09085	0.2
206.67471	0.3
207.10187	0.8
211.07611	0.4
211.70648	0.3
213.09134	0.5
225.09081	0.3
238.09229	0.3
243.10135	0.4
253.08618	0.7
255.10027	0.3
262.01160	0.3
271.09821	0.3
273.11249	0.6
285.11130	0.5
297.11325	0.3
301.10446	0.3
303.12286	1.4
306.22800	0.2
315.12280	0.5
395.23923	0.5
527.71509	0.3
557.27917	4.5
558.27509	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40225	1.0
53.03951	1.1
55.01873	3.1
55.05503	2.9
65.03944	0.9
67.05508	8.4
69.03424	8.5
69.07085	1.7
71.05005	1.6
71.31819	0.9
79.05495	10.9
81.03429	2.7
81.07058	38.8
82.07415	1.0
83.04987	3.6
91.05483	11.0
93.07040	6.9
95.04971	12.0
95.08614	13.6
97.02892	8.1
97.06548	4.8
99.04456	3.4
103.05476	1.7
105.07020	11.6
107.04971	1.8
107.08609	4.4
109.02862	1.2
109.06531	20.3
109.10185	1.0
111.04449	3.2
111.08073	2.7
115.05464	2.7
117.07024	6.2
119.04925	1.5
119.08596	7.3
121.06496	7.8
121.10159	2.2
123.04457	1.6
123.08068	17.1
125.06015	2.8
128.06230	3.9
129.06981	6.7
131.04941	2.3
131.08554	6.1
133.06519	8.0
133.10144	3.1
135.04419	1.9
135.08090	5.5
137.05981	46.5
139.07591	2.6
141.07007	7.3
142.07767	2.8
143.08592	9.2
145.06488	21.3
145.10143	4.9
147.08051	11.9
149.05992	4.2
149.09644	2.0
151.07541	15.1
152.06235	2.0
153.06998	3.7
154.07817	2.4
155.07269	1.5
155.08553	9.3
157.06459	5.0
157.10121	3.9
158.07265	6.7
159.08051	12.4
159.11668	1.0
160.05142	1.2
161.06004	2.6
161.09616	4.9
163.07526	4.7
165.07005	5.9
165.09206	1.1
166.07736	2.5
167.07158	1.8
167.08569	7.3
168.09367	1.4
169.06514	5.4
169.08817	1.2
169.10107	4.8
170.07320	1.3
171.08061	14.0
171.11664	1.2
173.05978	3.7
173.09624	6.7
174.84834	1.1
175.07562	5.1
177.09148	1.3
178.07799	4.4
179.08582	7.4
180.09340	2.5
181.06444	5.5
181.10152	6.2
182.07262	3.0
183.08087	11.8
183.11674	2.6
184.08844	2.7
185.06026	2.7
185.09639	7.5
187.07571	3.3
187.11153	2.0
189.09119	4.7
189.12601	1.0
191.08533	5.2
192.09349	6.5
193.06471	1.1
193.08531	2.3
193.10182	9.3
194.07292	1.2
194.10880	1.1
195.08104	7.4
195.11656	5.4
196.08786	2.5
197.05905	2.2
197.09610	8.1
197.13213	1.2
199.07587	3.6
199.11177	3.3
200.08336	1.1
201.09033	6.0
202.07767	5.9
203.08586	4.4
203.10432	1.3
204.09334	3.1
205.06575	1.3
205.10147	7.7
206.10916	1.9
207.08014	4.0
207.11705	8.6
208.08850	3.1
208.12430	1.4
209.09637	10.3
209.13196	2.8
210.10489	1.5
211.07585	4.4
211.11208	8.1
213.09117	1.9
213.12840	1.8
215.08583	2.5
215.10507	1.2
216.09366	2.6
217.10173	9.3
218.10820	3.7
219.08240	4.5
219.11771	5.6
220.08849	6.1
220.12344	1.7
221.09639	9.9
221.13254	4.2
222.10387	4.4
223.07603	2.7
223.11160	7.6
223.14790	1.6
224.12039	1.5
225.09155	3.8
225.12723	4.5
227.10687	2.9
227.14406	1.3
228.09253	1.2
229.10158	2.7
230.10901	1.5
231.08073	2.2
231.11688	3.2
232.08841	2.8
232.12369	2.4
233.09604	7.7
233.13200	4.5
234.10437	2.7
235.07480	2.1
235.11212	22.8
235.14803	1.8
236.11731	5.2
237.09183	5.5
237.12694	8.6
237.16338	1.7
238.09914	1.4
238.13374	1.1
239.10710	5.4
239.14355	2.0
241.12270	1.6
242.10944	1.6
243.10147	3.8
245.09641	10.5
245.13353	2.6
246.10307	5.9
247.11214	7.0
247.14886	3.5
248.08302	2.0
248.11906	1.8
249.09129	3.2
249.12775	9.1
249.16463	1.3
250.13431	2.2
251.10762	7.5
251.14302	9.6
253.12230	10.1
253.15002	1.0
253.15987	1.3
255.10257	1.6
255.13680	1.4
257.13339	2.2
258.10437	0.9
258.13889	1.9
259.11331	7.9
260.11929	5.1
261.09067	2.4
261.12781	10.9
262.13574	1.3
263.10669	15.9
263.14285	3.0
264.11417	4.6
265.08832	1.5
265.12415	6.0
265.15799	5.8
267.10172	2.4
267.13809	6.1
270.10382	1.7
272.15070	1.0
273.12851	2.0
274.13571	1.7
275.11227	1.6
275.14285	13.2
276.15045	2.2
277.12262	6.6
277.15887	3.5
278.13040	1.5
279.10358	2.6
279.13831	6.2
281.11774	8.4
283.09964	1.0
283.13312	2.2
285.12927	4.9
287.10843	1.9
287.14172	2.3
289.12210	2.1
289.15756	1.6
291.13757	2.8
293.12170	1.6
293.15338	12.8
294.16016	1.7
295.13306	9.6
297.11618	1.1
297.14853	1.7
299.12753	30.1
301.15775	1.6
303.13834	8.8
304.14392	1.1
305.11670	5.0
305.14975	2.0
306.12601	1.1
307.13385	2.4
307.16739	1.7
311.16583	1.8
317.15317	2.7
319.13361	2.4
319.16949	2.2
320.14230	1.2
321.11404	1.9
321.14758	9.0
323.12814	2.8
325.14395	3.6
327.17566	1.1
333.14883	2.1
335.16495	3.4
337.14322	2.5
337.18140	1.5
339.16141	3.1
345.14780	2.7
345.18616	1.1
347.16428	2.3
349.14340	2.1
349.18121	1.5
355.15588	5.0
359.16553	2.4
363.15875	4.0
373.17990	6.8
375.15637	1.6
375.19662	2.8
377.17459	3.5
381.16925	5.8
382.17566	1.5
383.16309	3.5
391.19034	13.1
393.16849	4.0
393.21103	1.7
399.18759	1.0
401.17542	16.0
402.17938	1.4
403.15533	1.1
409.20078	9.6
410.20334	1.2
415.19110	4.9
416.19443	1.2
417.20706	4.8
419.18564	57.9
420.18616	4.6
421.16425	3.9
433.19962	3.7
435.16522	1.4
435.22424	7.3
437.19614	100.0
438.19730	8.4
443.18430	6.3
451.21262	1.8
453.23340	2.2
455.20477	5.8
461.19647	18.8
462.19595	1.7
479.20667	40.8
480.21225	2.4
497.21710	24.6
498.21915	2.1
513.24408	1.7
521.21960	2.3
539.22729	2.2
557.23230	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	1.2
53.03939	2.8
55.01872	4.0
55.05515	2.1
55.53703	0.9
57.07052	1.4
65.03933	2.2
67.05503	8.1
69.00977	7.9
69.03433	10.5
69.07053	3.2
70.06597	2.8
71.01373	1.1
71.05003	1.5
79.05011	1.2
79.05492	22.2
81.03394	1.0
81.07056	78.4
82.07394	1.5
83.04998	5.5
85.02917	3.7
91.05491	14.0
93.07049	9.9
93.83804	0.9
95.04973	11.8
95.08605	21.1
97.02885	8.7
97.06496	5.5
99.04462	6.6
102.92133	1.1
105.07031	14.4
107.04954	3.3
107.08597	9.2
109.02888	1.3
109.06516	38.4
109.10131	1.1
111.04454	3.6
111.08080	3.1
112.21164	1.0
115.05467	3.4
117.06992	6.0
119.04956	2.8
119.08578	9.5
120.08108	2.1
120.08923	0.9
121.06512	7.9
121.10157	3.9
123.04465	2.3
123.08067	20.8
125.05981	1.6
125.09665	1.9
127.03930	1.2
128.06215	6.9
129.06979	8.7
130.07767	1.2
131.04977	2.3
131.08543	6.5
133.06477	9.3
133.10156	4.5
135.04431	1.6
135.08058	5.0
137.05974	100.0
137.09645	1.6
138.06337	3.3
139.07491	1.6
141.06953	7.6
142.07784	2.8
143.04915	1.5
143.08588	12.6
144.05710	1.9
145.06482	39.2
145.10115	9.2
147.08043	13.5
148.08455	1.4
148.97565	1.0
149.05966	4.5
149.09613	2.6
151.07547	8.2
152.06253	1.8
153.06992	3.8
154.07721	1.6
155.08542	13.1
156.09406	1.2
157.06505	7.3
157.09041	1.0
157.10078	5.3
158.07332	1.7
159.04414	1.6
159.08022	11.5
161.05936	5.1
161.09567	5.2
163.07538	4.5
163.11197	1.8
165.07005	6.1
165.09065	2.3
166.07782	3.7
167.07082	2.3
167.08575	8.0
168.09369	2.4
169.06514	6.7
169.08595	3.1
169.10141	6.8
170.07234	1.4
171.08044	21.3
171.11720	2.3
172.08742	2.8
173.05984	4.3
173.09604	9.6
175.07561	5.6
177.09111	2.6
178.07829	4.7
179.08549	9.8
180.09319	3.0
181.06531	3.3
181.10063	9.4
182.07268	4.4
183.08057	19.3
183.11711	2.9
184.08820	4.4
185.06061	2.6
185.09618	8.6
187.07518	5.9
187.11179	2.8
188.08290	1.1
189.09132	5.7
190.07742	2.1
191.07037	1.4
191.08574	5.4
191.10274	1.0
192.09343	6.1
193.08530	3.0
193.10149	9.5
194.07289	2.1
194.10861	2.1
195.08051	8.4
195.11681	6.1
196.08783	4.1
197.06111	1.1
197.09636	9.7
197.13205	2.8
198.10315	1.4
199.07584	5.8
199.11209	4.5
201.09128	5.6
202.07697	5.8
203.08630	5.1
203.10477	1.0
204.09364	3.3
205.04706	1.2
205.06598	2.6
205.10138	9.4
206.07362	1.3
206.10854	3.4
207.08141	6.3
207.11732	9.0
208.08838	4.5
209.09601	10.4
209.13196	2.1
210.10382	3.4
211.07539	4.1
211.11140	9.7
213.09143	4.3
213.12761	1.6
215.08571	2.7
215.10501	1.6
215.14178	2.4
216.09357	1.6
217.10147	10.2
218.10779	5.2
219.08284	5.7
219.11711	8.8
220.08755	6.1
220.12350	1.7
221.09622	12.2
221.13278	3.5
222.10364	3.4
223.07553	2.4
223.11159	10.3
224.08348	1.1
225.09171	3.9
225.12585	5.1
227.10664	1.9
228.09294	1.6
229.10092	3.5
230.10793	2.7
231.08055	2.6
231.11801	5.7
232.08849	5.2
232.12440	3.7
233.09596	10.5
233.13292	4.4
234.10350	3.9
234.13849	1.2
235.07564	1.8
235.11205	21.4
235.14764	1.7
236.11914	7.4
237.09148	5.6
237.12715	9.3
237.16478	1.2
238.09775	1.4
239.10693	4.9
239.14377	2.1
241.10146	1.6
241.12213	1.9
242.10997	2.8
243.09793	6.6
243.12140	1.8
244.12492	1.8
245.09612	10.9
245.13271	4.2
246.10361	7.9
247.11304	8.2
247.14854	5.4
248.08382	2.2
248.11772	2.8
249.09125	4.3
249.12704	8.2
250.09631	1.7
250.13379	2.6
251.10547	5.3
251.14307	6.8
253.12263	6.6
255.13934	1.4
257.09595	2.3
257.13196	3.2
258.10464	1.6
259.11279	8.5
259.15170	1.2
260.11948	6.4
261.08954	1.4
261.12921	10.6
262.09860	1.6
262.13477	2.0
263.10657	15.0
263.14185	5.9
264.11359	7.2
264.14355	1.0
265.08569	1.3
265.12558	5.7
265.15640	5.7
267.10165	4.2
267.13818	2.8
269.11981	1.4
269.15402	1.4
270.10291	2.5
271.11069	2.4
272.11880	1.6
273.12781	6.0
273.16367	1.2
274.13406	1.7
275.11249	1.6
275.14279	14.0
276.14813	3.6
277.12228	6.3
277.15869	3.9
278.12952	2.1
279.10510	2.1
279.13855	6.4
281.11740	12.7
281.15161	2.6
282.12506	1.6
283.13361	2.0
284.11963	1.8
285.12820	5.4
286.13486	1.6
287.10867	1.4
287.14081	2.3
289.12204	3.6
289.15775	1.8
291.14005	6.6
291.16885	1.8
293.12137	2.0
293.15347	8.6
295.13391	3.6
295.16818	2.0
295.51578	1.1
297.11841	1.4
298.13412	1.0
299.12637	6.3
301.12268	1.6
301.15695	1.8
303.13721	10.9
304.14529	2.5
305.11642	2.5
305.15448	3.5
306.12509	1.7
307.13293	4.1
307.16745	1.5
309.11267	2.6
309.14877	3.6
311.16385	2.6
312.11273	1.7
313.15683	1.9
317.15436	2.9
319.13382	2.4
319.16949	2.4
321.14725	8.1
322.15567	1.3
323.12924	3.3
323.16504	2.0
325.14426	2.7
331.13229	1.8
331.16995	1.6
333.14749	3.4
335.16397	4.3
337.14511	2.0
337.18384	1.3
339.15988	4.6
341.15039	1.3
345.14865	3.9
345.18616	1.5
347.16290	1.4
349.14166	1.8
349.18027	2.4
351.15833	2.4
355.16434	1.6
357.14844	1.4
359.16367	3.1
361.14188	1.2
363.15912	5.4
363.19791	1.9
364.16586	2.7
373.17972	10.4
375.15646	2.4
375.19815	1.9
377.17523	3.0
381.16891	4.6
383.16293	4.6
385.14255	1.2
391.19055	17.4
392.19476	2.3
393.16666	2.0
393.21057	1.3
395.23792	2.3
399.18637	1.4
401.17511	25.6
402.17819	2.2
403.15396	2.3
407.18243	2.1
409.20038	8.9
415.19318	2.3
417.20798	6.5
419.18518	77.7
420.18817	6.0
421.16214	2.3
425.17264	1.3
433.20148	2.9
435.22333	6.3
437.19583	91.5
438.19867	7.0
443.18631	8.2
451.20758	1.8
453.22989	1.7
455.20679	9.0
461.19580	20.7
462.20084	2.1
467.20691	1.6
479.20657	42.8
480.20816	3.3
497.21655	32.3
521.21704	2.0
539.22253	3.9
557.22900	17.0
557.31952	5.8
558.24121	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.8
52.83033	0.3
53.03947	1.6
55.01872	46.7
56.02206	0.6
57.03419	0.7
65.03947	4.1
66.04725	1.1
67.05494	2.1
68.02648	1.8
68.99786	1.3
69.03410	0.8
70.37871	0.4
71.01331	0.7
71.31652	0.8
77.03903	0.9
79.05495	5.8
81.03410	1.7
81.07050	1.6
82.04169	0.5
83.04974	4.0
91.05476	7.8
91.06005	0.6
92.23226	0.4
93.03400	4.3
93.07041	1.9
94.04189	2.8
95.04964	12.2
97.06528	1.7
99.04465	0.8
103.05466	36.7
104.05783	1.0
105.04524	0.4
105.07018	4.0
106.04168	0.6
107.04954	11.6
109.02860	0.7
109.06506	1.4
110.03695	0.9
110.81154	0.4
111.03679	0.7
111.04438	11.6
115.05434	2.5
117.07014	3.1
119.04948	4.0
119.08585	1.2
121.02838	0.8
121.06505	9.2
122.03655	7.0
123.04427	14.5
125.05988	6.4
127.03929	2.2
128.06212	0.8
129.06989	1.0
131.04924	75.3
132.05226	1.9
133.02856	2.8
133.06485	3.2
133.10146	0.9
134.03632	1.0
135.04417	5.0
135.08040	2.9
136.05193	0.8
137.05972	100.0
138.06293	2.0
139.03889	1.1
141.05443	1.7
141.07004	0.9
143.04956	0.5
143.08537	0.8
144.05649	0.5
145.06482	2.3
146.07191	0.8
147.04454	2.6
147.08008	1.9
148.05231	0.9
149.05977	9.2
150.06662	0.5
151.03905	22.8
151.07552	4.9
152.04230	0.6
152.06181	0.5
153.05469	10.8
153.06950	1.5
155.04887	0.5
155.08534	0.7
157.06514	0.9
159.08018	0.6
160.05197	0.5
161.05971	10.8
161.09615	2.7
162.03148	2.2
162.06726	0.6
163.03911	5.6
163.07538	33.6
164.07904	0.8
165.05496	3.5
165.07002	2.4
165.09113	1.5
166.07814	0.6
167.03331	0.5
167.07037	4.7
167.08510	1.0
169.06485	0.6
170.07312	0.5
171.07922	0.6
173.06030	1.3
174.06799	0.9
175.07556	6.4
176.07887	0.6
177.05466	20.9
177.09103	1.6
178.06250	9.9
179.07010	3.7
179.08557	0.9
181.04955	0.9
181.06445	2.0
181.08604	5.9
182.07310	0.8
183.08025	1.2
185.09778	0.4
187.07533	2.8
189.05472	0.9
189.09096	5.2
191.07021	1.9
193.06577	2.1
193.08513	0.6
195.06523	47.3
195.10210	1.1
196.07104	2.2
197.05838	0.4
197.09673	0.9
198.06717	0.7
199.07491	1.3
201.09134	2.4
203.06943	1.0
203.08678	0.4
205.06697	0.8
205.08606	1.5
207.08153	0.9
207.10075	4.9
209.05878	0.4
209.07935	0.7
209.09734	0.8
210.06709	0.8
211.07553	1.4
212.08218	0.8
213.09090	1.6
215.07036	0.5
215.10728	0.7
217.08598	0.7
219.08057	0.8
219.10077	4.7
219.11913	0.6
221.06013	1.6
223.07527	0.9
223.09624	0.8
224.08401	0.6
225.09068	3.6
227.06993	1.2
227.10666	1.1
228.07698	0.5
229.08612	1.4
231.10153	0.6
237.09105	1.5
239.07091	0.9
239.10641	0.7
240.07706	0.7
241.08713	2.0
241.12270	0.6
243.10071	1.8
245.08047	0.4
249.09021	0.6
251.10736	0.8
253.08607	4.0
255.10211	1.6
257.08066	1.2
257.11707	0.6
259.09653	1.0
265.08560	0.8
267.10086	0.8
269.08063	0.5
269.11722	1.3
270.08881	0.7
271.09561	1.9
273.11365	2.1
277.08536	1.0
279.10110	1.0
281.08032	0.5
283.09631	1.3
285.11240	5.4
287.09265	0.7
287.12646	0.6
295.09430	0.5
297.11075	2.1
299.12604	0.6
301.10956	0.9
303.12247	0.9
309.11053	1.0
311.12762	0.5
313.10641	0.6
315.12292	1.4
317.08377	0.4
327.12253	1.7
329.13785	2.1
343.11874	0.9
345.13385	0.8
357.13443	0.5
359.14859	2.3
377.16016	0.6
395.24207	0.6
421.23456	1.3
481.25897	0.5
539.22131	0.7
547.46338	0.5
557.21460	4.7
557.28143	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28409	0.4
51.02369	0.4
53.03942	0.8
55.01866	0.7
55.39284	0.3
65.03951	0.4
69.16739	3.0
77.03954	0.5
79.05487	1.2
81.07039	0.5
83.05022	0.4
91.05502	1.6
93.07042	0.3
94.04218	0.5
95.04967	1.0
97.02882	0.5
103.05467	52.0
104.05799	1.5
105.07037	1.1
106.98620	0.4
107.04949	2.8
109.06496	0.7
111.04464	0.6
115.05474	0.7
117.07048	0.9
121.06503	0.8
122.03622	0.6
123.04423	0.5
131.04926	100.0
132.05255	2.8
133.02831	0.7
133.06479	0.5
135.04407	0.6
135.08017	0.8
137.05972	11.4
137.16498	0.3
139.03917	0.4
145.06531	0.7
147.04424	0.9
149.05986	0.9
151.03954	1.9
151.04956	0.4
151.07547	1.0
153.05441	0.4
158.93832	0.3
161.05968	2.7
161.09593	0.6
163.03896	0.9
163.07539	35.9
164.07896	1.1
165.05481	1.1
165.06947	0.6
167.07106	0.4
169.06395	0.4
171.07959	0.4
173.09468	0.3
175.07529	1.7
177.05452	0.5
177.09065	0.6
179.07007	1.2
181.04990	0.8
181.08598	2.8
183.08049	0.4
187.07556	0.8
189.09044	1.0
191.06981	0.4
195.06316	0.5
195.08043	0.8
197.09633	0.6
197.35063	0.4
201.09132	0.6
207.10143	1.0
209.09634	0.6
211.07608	0.7
213.09003	0.5
216.18983	0.3
219.01477	0.3
219.08145	0.4
221.09808	0.5
225.09177	0.5
227.07011	0.5
227.10689	0.6
235.11145	0.6
237.02782	0.8
237.09195	0.7
241.08510	0.6
244.72855	0.3
253.08545	0.9
255.10007	0.9
257.11658	0.4
263.10712	0.4
269.11755	0.5
281.11847	0.5
297.11176	0.8
313.10556	0.5
315.12125	0.6
343.11700	1.6
343.15384	0.4
369.12119	0.4
395.24036	0.8
405.33929	0.4
437.19339	1.0
479.20364	0.5
497.21411	1.5
525.20825	0.4
539.22223	1.3
557.24182	6.7
557.36658	0.7
558.23639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.3
50.92555	0.1
51.02378	0.4
53.03957	0.6
55.01867	0.3
55.05494	0.1
65.03921	0.2
66.91643	0.1
68.02641	0.3
69.03421	0.3
70.91711	0.1
71.31051	0.2
74.22028	0.1
77.03922	0.3
79.05501	0.7
81.03402	0.4
81.07037	0.4
83.04974	0.3
85.02899	0.3
86.09676	0.1
88.93446	0.1
91.05489	4.3
92.05827	1.2
93.03403	0.4
93.07005	0.2
94.04176	1.0
94.67006	0.1
95.04964	0.9
97.02885	0.2
102.04649	0.3
103.05473	49.0
104.05790	1.2
105.04530	0.4
105.07037	0.6
107.04956	1.5
107.08596	0.2
109.02901	0.2
109.06487	0.2
111.04427	0.9
115.05455	0.3
117.07043	0.4
119.04942	0.6
119.08559	0.2
121.06519	0.7
122.03654	2.0
122.04466	0.2
125.06007	0.5
127.03972	0.2
129.07011	0.2
131.04932	100.0
132.05258	2.8
133.02895	0.3
133.06483	0.3
135.04424	0.3
135.08041	0.3
137.05980	35.4
138.06316	1.0
139.03897	0.2
141.07069	0.2
143.04936	0.2
145.06509	0.2
147.04454	0.7
149.06012	0.6
151.03893	0.5
151.07564	0.5
153.05490	0.7
153.07002	0.4
155.08511	0.2
157.06505	0.3
160.05186	0.2
161.05995	2.3
161.09625	0.6
162.06705	0.2
163.07544	30.3
164.07860	1.2
165.05603	0.3
165.07022	0.4
167.07120	0.2
167.08548	0.2
169.06491	0.3
170.11920	0.1
173.05829	0.1
174.06850	0.2
175.07591	0.7
177.05464	0.7
177.09164	0.2
178.06323	0.2
179.07013	0.8
181.06458	0.6
181.08684	0.7
183.08270	0.2
187.07562	0.3
189.09103	0.9
191.07050	0.3
195.06526	0.3
195.08119	0.3
197.05898	0.2
198.06847	0.2
201.09177	0.4
204.91795	0.1
207.10132	0.8
209.09761	0.2
211.07532	0.2
213.09184	0.4
217.08469	0.1
223.07567	0.1
225.09149	0.5
227.10616	0.1
228.07613	0.1
229.08705	0.4
237.09390	0.1
240.08020	0.1
241.08656	0.3
243.10226	0.2
245.08061	0.2
251.10818	0.2
253.08667	0.8
254.09114	0.1
255.10300	0.3
261.09219	0.2
265.08536	0.2
271.09763	0.4
273.11386	0.3
279.10272	0.3
285.11237	0.7
287.09146	0.2
297.11365	0.3
299.12833	0.2
301.10791	0.2
303.12265	1.7
303.15137	0.2
304.12366	0.2
315.12531	0.2
341.13907	0.2
343.11978	0.2
347.15121	0.2
395.23965	0.9
437.20407	0.1
467.24271	0.2
479.20795	0.3
497.61371	0.2
539.23724	0.5
557.27875	6.9
558.27734	0.6
567.96600	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2935
Annotation	Forskoditerpenoside C
Peak:m/z	Relative Intensity
53.64597	0.6
55.01867	0.7
55.05517	1.0
57.03435	0.7
67.05515	1.6
69.03451	1.1
69.07079	0.8
70.61060	1.3
71.05000	0.7
73.02901	0.6
79.05501	1.3
81.03400	0.8
81.07067	2.1
83.04966	1.2
83.08613	0.7
84.08150	2.5
85.02893	0.9
90.76145	0.7
91.05489	1.8
93.07047	2.1
95.08620	1.7
103.05477	0.8
105.07065	2.3
107.04950	1.3
107.08591	0.9
109.06531	0.9
109.10135	0.8
109.39720	0.6
116.11867	0.5
116.46559	0.6
119.04910	0.8
119.08614	1.1
121.10126	1.0
123.04407	0.6
123.11684	0.7
125.05984	0.6
127.03934	0.8
129.06911	0.5
131.04959	1.8
131.08575	0.8
133.06467	1.0
133.10127	0.8
135.04480	0.7
135.08025	1.2
135.11710	0.7
137.05992	6.1
139.07652	0.6
143.08592	0.7
145.06474	0.6
147.08040	0.7
149.05939	0.8
151.03923	1.9
153.01849	1.0
157.10063	0.7
159.08086	0.7
161.09711	0.5
163.07559	1.4
167.07025	0.7
169.79726	0.5
170.99933	0.6
173.09566	1.1
175.07489	1.4
187.07628	0.9
187.11211	0.6
189.09163	1.4
195.06676	0.6
197.09630	0.7
202.74107	0.6
217.08540	0.7
219.14059	0.5
221.11728	0.8
233.07899	0.7
311.12830	1.4
365.23071	2.4
377.22989	0.7
395.24036	70.6
396.24283	4.6
458.19537	0.6
465.19077	1.1
495.29272	3.1
557.29297	100.0
558.29742	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	9.1
55.05497	0.6
60.82212	0.6
62.92405	0.6
65.03937	1.1
65.48503	0.5
67.05502	0.6
68.02631	0.8
70.06596	2.5
78.81984	0.5
79.05487	2.0
81.07062	2.2
83.04989	1.3
91.05480	3.0
93.03392	1.1
93.07052	1.7
94.04230	0.8
95.04952	3.3
95.08600	1.5
97.06528	0.6
98.23354	1.8
103.05456	7.1
105.07044	2.2
107.04955	3.2
107.08630	1.2
107.20163	0.6
109.02946	0.6
109.06513	0.6
111.04456	2.8
115.05429	1.0
117.07026	0.9
119.04992	0.8
119.08601	1.1
120.08121	1.7
121.06503	1.5
121.10130	0.9
122.03670	1.9
123.04452	2.8
123.08069	0.8
125.05998	1.3
129.07053	0.7
131.04932	15.9
132.05290	0.6
135.08072	1.3
137.05969	23.6
138.06349	0.6
139.03905	0.8
143.08553	0.7
145.10077	0.8
147.08055	0.8
149.05998	2.4
151.03899	4.3
151.07576	1.5
153.05499	2.0
153.07101	0.6
155.08688	0.7
159.08101	0.7
161.05974	2.6
161.09694	0.7
163.03951	2.0
163.07536	7.8
165.09100	1.1
173.06012	0.8
173.09683	0.7
175.07599	2.1
177.05493	3.5
178.06270	2.0
179.07014	1.2
181.08592	0.7
183.08209	0.7
187.07582	1.1
189.09085	1.5
195.06544	10.3
203.05302	2.6
206.12666	0.8
207.10115	0.7
210.67928	0.6
213.09157	0.7
219.10167	1.1
225.09064	0.7
275.07175	0.8
285.11224	0.9
335.09470	52.5
336.09814	2.0
395.24112	2.4
465.19241	0.7
557.29303	100.0
558.29651	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62942	0.2
55.05515	0.8
57.07070	0.4
61.34731	0.2
67.05501	1.2
68.17566	0.2
69.07060	0.7
69.32371	0.1
71.08624	0.2
71.30415	0.3
74.76192	0.2
79.05485	0.6
81.07058	1.3
83.04975	0.4
83.08619	0.3
85.02881	0.3
89.06027	0.4
91.05471	1.0
93.07052	1.3
95.04933	0.3
95.08617	1.0
97.06512	0.2
97.10155	0.2
105.07034	0.7
107.08582	0.6
109.10155	0.5
111.04433	0.6
112.04790	0.2
117.07038	0.4
119.08583	0.5
121.06493	0.2
121.10155	0.5
125.05965	0.4
126.91931	0.2
129.06996	0.6
131.08560	0.6
133.06526	0.2
133.10150	0.5
133.58078	0.2
135.11710	0.3
141.06943	0.3
142.07770	0.3
143.08553	0.7
145.10126	0.8
147.11656	0.2
152.06271	0.2
153.05450	0.3
153.07048	0.2
155.08585	0.4
157.06494	0.3
157.10127	0.4
159.08057	0.7
159.11713	0.3
165.06992	0.5
167.08452	0.3
169.10138	0.3
171.08051	0.4
171.11639	0.4
173.09712	0.9
173.13255	0.2
178.07681	0.2
179.08554	0.5
181.06429	0.5
181.10149	0.4
181.12233	0.4
182.07260	0.5
182.12556	0.4
183.08090	0.3
187.07523	0.3
190.07764	0.3
191.08620	0.4
192.09348	0.8
193.10110	0.6
194.07344	0.2
195.08069	0.7
195.11748	0.3
196.05212	0.4
197.06009	0.5
197.09523	0.2
198.06743	0.2
199.07556	0.4
201.05441	0.2
201.09109	1.8
202.07932	0.4
202.09891	1.9
203.08589	0.5
205.06503	0.6
205.10216	0.3
207.08109	0.8
207.11665	0.6
208.05299	0.2
208.08812	0.3
209.06021	0.2
209.09605	1.9
210.06783	1.7
210.10335	0.3
211.07518	1.4
211.11058	0.2
212.08286	0.4
213.05452	0.6
214.06218	0.2
217.10167	0.2
218.07291	0.3
219.08087	1.7
220.08784	2.1
221.06052	0.3
221.09587	1.1
221.11751	1.0
222.06747	0.6
222.10185	0.4
222.12108	1.1
223.07605	1.0
223.11224	0.7
224.08327	0.8
224.11890	0.3
225.05440	0.8
225.09064	1.0
226.06201	0.7
226.09810	0.4
227.07027	0.8
227.12866	0.2
228.07782	0.6
231.08020	0.5
232.08855	0.3
233.05888	0.6
233.09604	1.3
234.06786	1.3
234.10272	0.9
235.07591	1.4
235.11186	3.1
236.08266	0.6
236.11920	0.5
237.05360	0.5
237.09102	5.1
237.12646	0.3
238.06267	1.1
238.09673	0.9
239.07048	0.9
239.10704	0.9
240.07780	1.3
240.11496	0.2
241.05002	1.1
241.08560	0.4
241.12349	0.2
242.05644	0.4
243.06551	0.6
245.09668	0.3
247.07574	1.8
248.08337	3.7
249.09137	6.1
250.06306	0.8
250.09741	1.0
251.06999	1.2
251.10667	3.1
252.07864	0.4
252.11447	2.8
253.08588	1.2
253.12173	1.0
254.05692	0.2
254.06950	0.2
254.09315	1.3
255.06586	0.7
255.10147	0.3
256.07315	1.9
257.04761	0.2
257.07990	0.8
258.08890	0.3
259.05688	0.2
261.05295	0.2
261.09119	1.7
262.06360	0.3
262.09894	1.4
263.07199	0.8
263.10684	7.3
264.07904	0.7
264.11423	3.0
265.08609	10.9
265.12079	1.2
266.06006	0.3
266.09351	2.4
266.12927	0.9
267.06662	0.9
267.10318	1.2
267.13760	1.5
268.07440	0.2
269.04562	0.3
269.08163	0.4
269.11765	1.0
270.08850	0.5
271.09686	1.6
272.06894	0.2
272.09952	0.2
275.07056	0.4
275.10403	0.2
276.07797	0.7
277.08609	11.6
277.11859	0.5
278.05930	0.3
278.09305	2.2
279.06653	0.7
279.10165	3.6
280.07913	0.3
280.10934	9.6
281.08179	0.5
281.11658	4.0
282.08932	2.3
282.12009	0.4
283.09583	0.7
283.26419	0.4
284.06784	1.4
284.10089	0.4
285.07535	1.3
285.11069	0.5
286.08286	0.2
287.09143	0.5
288.09448	0.2
290.09567	0.2
291.10123	2.0
292.10873	2.3
293.04776	0.3
293.08084	4.0
293.11691	3.3
294.08859	2.6
294.12485	1.6
295.09717	1.1
295.13254	10.5
296.10800	0.3
296.13849	1.4
297.07755	0.2
297.11166	3.5
298.11823	0.3
299.09192	2.2
300.09802	0.8
302.07922	0.3
305.11487	0.3
307.09631	1.1
307.13043	0.2
308.10428	2.9
309.11197	11.6
310.08447	0.3
310.11813	1.4
311.09180	0.4
311.12784	0.4
312.10422	0.2
312.13318	0.9
313.10602	0.5
313.14075	0.3
314.11444	0.3
317.10278	0.6
318.11194	0.2
322.11847	0.3
323.12772	9.7
324.13522	8.8
325.10684	4.1
325.14301	2.2
326.11234	0.5
327.15945	1.3
331.11414	0.3
340.13065	3.5
341.13806	1.2
353.13528	0.9
355.15393	100.0
356.15991	14.8
357.16568	0.5
372.15665	0.4
387.17993	3.1
388.19113	0.2
465.33994	0.3
539.37634	1.1
556.52795	0.5
557.31250	0.4
557.38354	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.4
53.03943	6.9
55.01880	3.7
55.05273	1.4
55.05518	25.3
57.03440	6.9
57.07074	4.6
59.24857	0.9
65.03947	4.6
67.05507	52.8
69.03430	1.4
69.07076	21.2
69.07491	9.3
71.05003	4.1
71.08640	1.7
73.06577	1.4
79.05495	47.2
80.05827	1.2
81.03436	4.4
81.07059	54.6
82.06034	0.9
82.07410	1.1
83.04972	8.2
83.08616	12.1
85.06564	2.9
85.23043	0.9
91.05481	52.0
92.05813	1.1
93.07044	48.7
95.04977	9.2
95.08611	40.6
97.06523	6.7
97.10170	6.0
98.98473	2.9
99.08095	1.4
103.05483	1.8
105.04527	1.4
105.07033	46.8
106.07380	1.6
107.04944	7.2
107.08592	24.0
107.09270	1.4
109.06542	4.6
109.10164	15.4
111.08096	3.6
115.05486	1.6
116.06267	1.1
117.07021	19.4
117.07823	1.6
119.08584	37.5
119.60517	1.0
121.06515	4.6
121.10152	15.7
121.40643	1.3
123.08050	6.6
123.11728	3.7
128.06223	6.0
129.07002	21.9
130.07838	1.9
131.08566	36.9
133.06522	2.4
133.10127	25.7
135.08107	4.1
135.11688	10.4
137.09650	2.4
139.11241	1.3
141.06993	8.7
142.07806	4.5
143.08568	28.2
144.09129	1.5
145.06512	4.3
145.10118	32.9
146.10596	1.1
147.08089	2.4
147.11676	23.9
149.09660	3.5
149.13205	5.3
151.11151	1.5
151.35768	1.0
153.07010	2.5
154.07825	4.0
155.01039	1.5
155.08551	24.5
156.09387	4.1
157.10123	23.4
159.08130	1.4
159.11694	21.5
161.09663	2.7
161.13260	12.6
163.11206	3.4
163.14880	2.5
165.06987	2.0
167.08557	10.6
168.09381	3.0
169.10138	26.2
170.10710	2.0
171.08105	2.2
171.11696	27.9
172.12178	1.1
173.09697	1.2
173.13252	13.2
175.11163	2.7
175.14813	5.1
177.12810	2.7
179.08586	1.7
180.09438	2.3
181.10117	12.8
182.10873	3.2
183.11678	18.3
184.12416	1.9
185.09677	2.3
185.13268	15.8
187.11111	4.7
187.14839	6.2
189.12790	3.9
191.08603	1.5
193.10117	4.8
194.11032	1.6
195.11693	11.6
197.13272	16.6
199.11421	1.4
199.14816	11.2
201.12823	1.6
201.16429	3.6
205.10152	1.5
207.11769	6.3
207.13889	4.7
209.13277	12.5
211.14810	11.2
213.16406	13.8
215.14351	1.3
215.18011	1.5
219.11803	2.2
221.13278	3.7
223.14981	8.3
225.16418	5.6
227.18040	1.3
231.17543	2.3
233.13354	3.3
235.14915	2.4
235.16966	1.7
237.16437	3.1
239.14368	1.2
239.18103	2.7
241.19530	9.5
247.14804	2.1
247.17033	4.8
249.18640	1.5
250.92839	1.1
251.18095	3.1
253.19778	1.3
257.19141	3.5
259.20596	17.2
261.18640	1.4
261.22134	1.3
263.17999	1.4
271.16873	1.3
275.20261	2.3
277.21704	1.3
279.15784	6.8
281.17386	8.3
285.21942	1.1
287.20270	2.5
295.20724	1.6
297.19107	1.2
297.22260	3.3
299.20218	1.6
299.23737	1.9
305.21106	1.2
307.20807	1.6
309.21964	1.2
311.20132	1.8
311.23685	2.4
313.21753	1.8
315.23392	2.7
321.22412	2.5
323.23755	4.0
325.21542	1.6
325.25223	1.8
327.23257	2.9
333.24429	5.9
335.23715	3.0
337.25400	1.5
339.23279	1.6
341.24969	1.6
349.25336	3.5
353.24741	2.5
358.60941	1.3
363.27094	1.6
367.26398	2.4
371.26056	1.3
419.33170	4.5
429.31641	6.7
435.32925	1.5
437.34271	14.3
447.32617	26.6
448.32840	1.7
455.35214	2.0
465.33618	32.5
466.34180	3.8
475.35269	1.1
483.34747	20.9
483.41089	1.9
484.34869	1.6
501.35962	2.4
503.35626	2.3
511.37979	1.6
521.36310	9.5
522.36658	1.1
527.37378	2.3
529.38672	7.1
539.37329	100.0
540.37683	10.8
557.38434	51.3
558.38843	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77183	0.6
53.03936	1.0
55.01868	1.9
55.05511	1.0
57.03436	1.3
65.03938	0.7
67.05497	3.6
69.03432	4.2
69.07072	4.8
69.53859	2.9
79.05493	5.8
81.03401	1.1
81.07043	2.8
83.01339	2.4
83.04967	2.1
85.02908	9.7
91.05484	3.7
93.07027	1.6
95.04962	1.7
95.08554	0.7
97.02872	4.1
97.06537	8.5
99.04452	1.2
105.07033	2.2
107.04958	1.1
107.08595	27.9
108.08992	0.7
109.02879	1.2
109.06512	2.3
109.10159	19.2
111.04425	3.0
111.34128	0.6
115.05442	1.7
117.07024	3.2
119.06095	1.1
123.04447	5.1
125.05984	5.6
125.09609	3.1
127.03909	2.0
128.96321	0.8
129.75487	0.7
135.08051	39.2
136.08365	0.8
137.09624	10.7
143.07019	1.8
144.08072	2.4
145.05006	3.7
153.09103	17.5
163.03899	1.6
163.07535	51.5
164.07899	1.3
181.08572	22.5
199.09656	100.0
200.09975	2.9
217.10693	7.7
246.52248	0.8
367.08127	0.9
407.07565	1.7
410.95297	0.7
437.08963	0.8
541.10864	0.9
559.23413	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90044	0.8
52.96127	0.7
53.03946	1.1
54.25375	0.7
54.81550	0.7
55.01874	2.5
55.05516	1.2
57.03449	1.0
61.02929	1.2
67.05513	3.1
69.03438	4.3
69.07070	5.8
69.75480	3.7
70.06580	1.9
71.04987	0.8
74.67993	0.7
79.05499	5.9
81.01314	0.7
81.03416	1.3
81.07045	2.0
83.01353	2.5
83.04981	2.4
85.02905	8.3
90.59972	0.7
91.05475	4.9
93.07057	2.5
95.04979	1.7
95.08590	1.7
97.02908	5.2
97.06533	9.0
98.22662	1.0
99.04430	1.6
105.07047	2.7
107.04969	2.0
107.08598	26.5
108.87306	0.7
109.02914	1.0
109.06534	2.8
109.10159	19.5
111.04450	3.3
111.08080	1.1
117.07003	4.1
119.06068	0.8
123.04429	4.0
125.05994	6.5
125.09639	3.9
127.03918	2.2
135.04483	0.8
135.08052	41.7
136.08423	1.7
137.05995	2.8
137.09621	8.8
138.06317	1.7
143.07059	1.1
144.08101	1.1
145.04971	3.9
153.09099	17.5
154.09462	0.9
163.03874	1.6
163.07544	43.1
171.10284	1.0
176.80931	0.8
181.08601	22.5
181.10158	1.5
182.08989	1.1
187.04027	0.9
187.07574	2.2
199.09662	100.0
200.10020	2.4
217.10696	11.8
311.65601	0.8
325.13348	1.0
327.59036	0.8
341.13742	1.1
342.14117	1.6
343.14215	3.9
370.38361	0.8
438.46252	0.8
558.19318	1.0
559.23383	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14021	2.2
52.60869	3.0
55.68666	2.3
64.27096	2.2
69.03422	6.2
69.43213	11.0
69.43614	5.3
76.08179	2.5
79.05503	4.2
81.03436	3.4
85.02914	12.0
91.05488	14.2
93.07045	2.4
95.32261	2.4
97.02930	3.2
103.05463	28.6
105.07007	10.0
107.04971	27.8
109.28783	3.1
115.05481	4.1
119.04948	9.0
121.06525	4.4
122.03670	8.1
127.03972	5.4
129.07002	4.0
131.04916	39.6
133.06502	6.5
135.08041	5.3
137.05974	97.6
147.04398	12.0
149.06032	6.1
151.07532	34.3
151.18144	3.1
157.06525	4.6
159.08090	2.6
159.49101	2.9
161.05992	50.4
161.09628	9.1
162.06711	4.8
163.07539	100.0
164.07957	3.5
174.06729	3.7
175.07535	17.8
177.05548	4.5
177.09135	25.1
179.07059	8.1
179.10574	3.4
179.77319	2.9
181.08604	10.8
189.09082	33.9
191.07013	3.2
195.08058	4.1
203.07091	3.2
203.10527	3.2
207.10153	54.3
219.10178	8.9
221.11697	6.8
223.07350	3.5
227.10725	6.2
255.10190	5.8
267.10324	4.1
285.11194	4.3
287.12787	17.0
299.12772	3.9
311.12778	19.5
313.14279	11.6
325.14261	4.4
331.15396	33.9
343.15283	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32537	2.2
55.01868	2.6
68.67256	2.7
69.03433	3.0
69.20359	14.6
79.05498	7.9
84.60181	2.4
85.02913	4.9
91.05473	21.8
94.04209	3.8
95.04951	3.7
103.05463	15.0
105.07027	12.4
107.04955	28.4
109.06586	3.1
115.05462	4.9
117.07030	4.1
119.04938	17.2
121.06502	8.0
122.03640	5.3
127.03860	3.0
129.07022	9.0
131.04932	25.2
133.02878	4.1
133.06508	9.3
135.08070	7.1
137.05975	88.6
145.06528	3.1
146.07204	3.9
147.04411	12.6
149.05980	13.7
151.07542	51.7
157.06512	5.5
161.05977	100.0
161.09570	20.0
162.06743	9.6
163.07544	51.8
164.08066	3.1
165.09158	4.3
167.08629	2.6
174.06784	6.2
175.07567	14.0
177.09117	4.9
179.07085	7.2
181.08600	11.9
182.09021	2.5
189.09100	62.7
191.07034	3.1
195.08067	5.9
207.10168	92.3
208.10622	4.7
219.10129	7.3
221.06012	5.0
223.07579	3.9
225.09187	4.5
227.10675	8.8
237.09148	2.4
238.06056	2.5
246.37079	3.0
249.09065	3.0
250.09660	2.3
253.08629	6.1
253.12206	8.6
255.10197	11.7
267.10300	2.4
281.11795	3.0
285.11182	12.3
287.12790	35.3
297.11090	4.3
299.12906	4.0
311.12762	11.8
313.14310	33.9
325.14407	3.1
331.15411	63.7
332.15744	3.8
343.15308	9.4
399.39279	2.6
399.98349	2.5
558.22656	4.1
559.23499	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12348	5.6
61.37473	6.6
63.26474	5.3
69.03414	6.9
70.60646	10.3
70.61008	6.5
71.65720	6.2
85.02909	11.8
91.05479	15.9
95.04967	6.6
103.05470	20.1
105.07037	7.1
107.04967	31.2
119.04956	13.3
121.06533	7.5
129.07030	11.6
129.44713	5.8
131.04922	16.9
133.02792	11.0
133.06517	9.2
137.05971	91.1
147.04437	20.4
149.06047	8.6
151.07562	42.7
151.08566	8.0
161.05978	100.0
161.09592	21.8
163.07565	61.1
175.07492	9.8
177.09247	7.2
179.07069	17.8
181.08603	18.4
189.09114	61.0
207.10155	86.4
208.10300	7.9
219.10185	17.8
255.10234	7.7
285.11334	11.1
287.12793	27.3
313.14236	19.2
331.15399	44.0
343.15149	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
72.35687	3.3
73.29607	2.8
79.05524	3.6
81.07050	6.1
91.05469	7.6
93.07082	3.5
93.63754	3.2
94.04214	4.0
98.22478	7.4
103.05466	32.4
104.05798	12.5
104.94221	2.9
105.07063	3.0
119.04922	6.2
121.06445	3.9
122.03635	6.9
123.04482	3.7
123.08031	4.0
131.04933	75.5
132.05247	36.1
137.05983	100.0
138.06313	12.2
145.06500	4.0
151.07549	22.1
161.05978	11.0
163.07582	31.5
164.07877	15.8
167.08469	3.3
175.07509	6.4
187.07503	5.2
189.09180	7.9
195.07854	4.6
203.10771	5.5
207.10138	5.2
217.08659	4.0
227.10658	4.1
230.21889	5.3
237.09196	3.8
238.06468	3.8
255.10182	5.5
285.11166	4.7
287.12854	12.3
369.17514	3.8
383.11151	6.1
485.17844	6.4
493.21896	4.8
494.29691	4.0
513.20886	6.6
541.24225	30.9
558.24182	10.8
559.25519	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.6
55.05515	26.4
67.05506	40.4
69.03416	7.5
69.07056	14.0
71.05006	7.0
71.29540	4.0
71.29953	7.3
79.05495	29.4
81.03395	21.7
81.07063	36.3
83.04979	22.2
83.08611	8.5
86.40950	3.5
91.05485	45.3
93.07045	52.5
95.04958	19.6
95.08604	55.6
97.06537	5.3
97.10148	7.3
105.07030	51.3
107.04961	9.0
107.08588	47.9
109.06503	15.4
109.10143	15.2
110.10493	3.7
111.04438	7.6
111.08064	10.2
117.07017	21.4
119.08582	61.0
121.06511	14.8
121.10098	18.7
123.08073	23.1
125.09618	4.6
128.06172	8.8
129.07013	18.3
130.07741	4.4
131.08560	32.8
133.06509	9.9
133.10123	31.9
135.08029	17.6
135.11671	11.4
137.06030	5.2
139.07509	7.9
141.06979	8.8
142.07770	12.7
143.08582	22.5
145.06485	7.8
145.10143	39.8
147.04297	4.1
147.08040	20.1
147.11656	16.4
149.09613	17.6
155.08511	18.1
156.09322	4.5
157.06471	12.4
157.10150	34.5
159.08011	10.8
159.11693	21.6
161.09637	25.0
161.13235	9.0
163.11177	12.6
165.07028	8.1
167.08542	11.6
168.09363	4.0
169.10118	15.9
171.08063	13.8
171.11623	18.7
173.06004	4.0
173.09630	15.8
173.13246	9.4
175.07587	28.6
175.11182	17.5
179.08539	9.9
181.06427	3.9
181.10106	18.3
183.08095	6.5
183.11717	15.5
185.09616	17.1
185.13252	7.2
187.07578	12.6
187.11160	16.6
189.09128	9.5
189.12773	16.3
192.09268	5.3
193.10292	9.5
193.12186	9.1
194.10881	7.5
195.08075	11.7
195.11679	20.0
197.09598	13.3
197.13278	10.8
199.11208	10.9
199.14848	5.9
201.12762	7.9
203.08614	5.1
204.09337	4.3
205.10173	4.9
206.10677	4.6
207.08063	5.1
207.11656	18.0
209.09721	10.3
209.13219	21.2
211.07582	4.5
211.11345	21.1
211.13162	7.9
213.09108	9.1
213.12770	12.5
215.10721	5.8
217.08470	4.0
217.10361	5.6
218.11118	3.6
219.11664	10.9
221.09576	6.6
221.13266	15.6
222.10399	4.5
223.07570	3.8
223.11230	24.8
223.14893	5.9
225.09105	4.5
225.12750	13.1
225.16597	4.6
227.10704	11.4
227.14444	6.2
231.11754	7.7
231.13770	4.8
232.12294	5.1
233.09749	5.0
233.13272	12.5
234.10402	5.7
235.11180	13.9
235.14825	5.5
237.12761	37.7
237.16397	6.2
238.13304	4.4
239.10693	10.2
239.14227	7.8
241.12212	4.5
241.15887	4.1
243.13802	5.4
245.13307	4.4
246.13939	4.3
247.11163	10.0
247.14891	9.3
249.12711	11.0
249.16391	8.1
251.14363	7.3
253.12300	10.9
253.15955	3.9
255.13670	5.9
257.19092	6.1
259.14694	9.5
261.09689	4.7
261.12698	9.7
261.16269	5.0
262.13770	4.7
263.10690	6.8
263.14285	14.0
263.17932	9.4
265.12161	24.0
265.15823	3.9
267.13657	5.3
269.15320	6.6
273.16324	7.0
275.20203	17.9
277.15817	11.1
279.13904	6.4
281.11920	5.8
283.13266	6.0
287.14035	5.6
291.13959	9.9
291.17383	22.1
295.16998	4.6
299.69858	4.0
301.15924	8.5
303.17200	5.4
305.15475	6.2
307.16959	4.6
309.18417	9.7
315.19888	6.1
317.15378	4.8
317.18918	8.3
319.16995	11.6
327.19653	8.5
335.20175	9.0
337.17935	16.5
339.19547	15.7
345.20551	15.5
349.23709	4.2
363.19431	9.1
403.26233	4.7
413.24673	14.3
415.26614	4.2
423.22629	4.1
427.54233	5.1
431.25839	55.0
432.26483	5.1
433.27435	5.1
441.24365	40.2
442.24304	5.4
449.26831	32.1
459.25299	97.1
460.25305	7.7
463.28482	9.3
477.26349	100.0
478.26764	12.6
485.70709	4.8
495.26935	8.7
541.35077	11.2
558.34607	9.2
559.35846	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99257	0.9
55.05501	4.1
59.05727	1.1
67.05489	6.4
69.03411	1.9
69.07048	2.0
79.05492	3.9
81.03431	1.2
81.07062	7.8
83.04974	11.1
86.18628	1.2
91.05481	5.8
93.07053	9.0
95.04964	2.8
95.08604	9.8
97.06547	2.2
105.07022	6.2
107.08589	3.2
109.06522	1.7
109.10183	1.5
111.04433	8.4
111.08072	4.5
111.21529	1.2
115.05477	1.2
117.07050	2.9
119.08574	7.4
120.20286	1.0
121.06483	2.9
123.08073	2.4
128.06216	1.9
129.06999	3.1
130.29208	1.1
131.08536	5.0
133.06519	1.1
133.10114	4.5
135.08052	2.0
135.74165	1.0
137.05971	3.1
139.07541	2.8
141.06978	2.6
142.07806	2.5
143.08574	5.3
144.09344	1.6
145.06505	1.5
145.10175	4.8
147.08025	1.9
147.11650	3.1
151.99257	1.0
153.06979	2.1
154.07764	3.0
155.08560	10.9
156.09169	1.5
157.06436	2.1
157.10089	6.0
159.08031	2.5
159.11699	3.7
161.09650	2.4
164.70572	1.0
165.06967	2.5
167.08562	4.1
169.10135	11.4
171.08052	2.4
171.11678	6.0
173.09651	3.5
177.09230	1.1
178.07863	1.5
179.08546	4.6
180.09412	1.4
181.10039	3.9
183.08104	1.3
183.11665	3.4
185.09573	2.6
185.13304	1.6
187.11226	3.8
192.09328	3.0
193.10115	4.5
194.10722	1.1
195.08078	2.0
195.11617	6.2
196.12204	1.3
197.09604	11.1
197.13274	1.6
199.11191	2.5
202.07834	1.4
203.08403	1.2
205.10144	2.1
206.10857	4.2
207.11684	9.3
209.09593	1.5
209.13245	4.7
211.11206	1.6
211.14914	1.3
212.11900	1.0
213.09161	1.3
215.08684	1.7
215.10602	5.8
216.09254	1.5
217.10091	3.4
218.10840	2.4
219.11682	6.8
220.12477	2.6
221.09543	1.8
221.13138	4.8
223.11270	2.5
223.14693	1.2
225.12653	2.0
229.10120	2.4
230.10861	3.1
231.11690	3.6
232.12372	3.3
233.09703	1.3
233.13258	3.8
234.13918	1.8
235.11185	3.9
235.14854	2.1
237.12738	2.4
239.14313	1.9
243.11726	3.3
244.12422	4.2
245.09537	1.2
245.13260	6.4
245.15384	1.3
246.10376	1.7
246.13872	1.8
247.11108	2.5
247.14815	2.6
249.12698	3.6
249.16505	1.5
253.12299	1.2
255.13887	2.1
257.13205	3.0
258.13943	2.5
259.11084	2.5
259.14832	7.6
260.12021	1.2
260.15546	3.3
261.12869	1.7
261.16437	2.5
262.13541	1.2
263.14450	1.9
265.12231	1.8
267.13821	2.1
271.14789	3.0
272.11914	1.1
272.15515	3.0
273.12680	2.7
273.16409	5.6
274.17053	1.7
275.14267	3.8
275.17871	2.9
276.18750	1.4
277.15817	1.8
283.14709	2.8
284.12216	1.0
284.15543	2.4
285.12912	1.6
285.16275	2.2
287.14301	2.3
287.17578	2.3
288.18259	1.1
289.19238	1.2
291.14035	1.3
291.17480	3.4
297.12881	1.2
299.14438	1.3
299.17917	4.3
300.15302	1.3
300.18661	1.9
301.15869	4.4
301.19318	2.8
302.16550	2.2
303.17426	2.3
305.15427	2.3
312.14954	1.3
313.19461	1.4
314.20242	1.4
315.17459	2.3
315.21078	1.3
317.19000	1.8
319.16815	3.1
325.16016	1.2
327.17477	3.3
329.19202	1.2
331.20508	1.9
337.18063	2.4
342.19592	3.2
345.18420	3.2
347.20529	1.3
349.21506	2.3
359.88873	1.1
360.20648	2.1
399.23343	7.4
401.20935	2.4
413.24902	6.8
415.26401	12.5
416.26892	1.7
417.24356	11.6
423.23056	5.7
431.25864	6.4
432.26215	1.1
433.27313	9.8
441.24216	46.5
442.24246	3.3
459.25296	100.0
460.25540	8.1
477.26398	33.9
478.26376	3.5
483.23007	1.5
495.27359	4.2
558.34601	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.7
55.05511	12.1
57.07061	2.1
65.90199	1.6
67.05501	18.6
67.26389	1.7
69.03410	2.8
69.07065	12.4
71.05012	1.9
73.39432	1.4
76.38629	1.6
77.03938	1.7
79.05499	16.4
81.03406	5.6
81.07056	34.6
82.07375	2.0
83.04988	10.1
83.08620	7.5
91.05480	17.2
93.07056	19.2
95.04949	8.5
95.08606	21.9
97.06513	4.5
97.10179	2.0
99.04450	2.4
103.05486	1.6
105.07032	20.7
107.04987	3.4
107.08585	20.0
109.06520	76.7
109.10162	14.2
111.04460	7.7
111.08063	4.6
115.05450	2.2
117.07030	7.2
119.08572	27.3
121.06513	4.7
121.10137	22.7
123.08099	3.7
123.11702	5.5
125.09538	1.7
127.07578	3.7
128.06256	3.7
129.07028	5.1
130.07753	2.4
131.08597	14.1
133.06427	2.2
133.10133	14.4
135.08063	1.5
135.11688	6.8
137.05983	16.1
139.07530	3.7
141.07025	2.0
142.07762	4.8
143.08536	12.1
144.09331	3.1
145.06471	3.6
145.10129	24.0
147.07996	3.0
147.11662	10.2
149.09561	2.5
149.13203	2.5
153.06982	1.8
155.07025	29.7
155.08525	8.3
156.09366	5.3
157.10120	22.4
159.08066	2.8
159.11693	23.5
161.09596	6.4
161.13248	7.6
162.70859	1.6
163.11162	2.9
167.08568	1.9
169.10191	9.7
171.08110	2.7
171.11681	16.5
173.09633	4.0
173.13263	20.6
174.14090	1.6
175.07565	2.1
175.11203	4.2
175.14801	5.0
179.08598	2.2
179.10661	1.9
181.10120	6.1
182.10905	3.9
183.11708	10.7
184.12392	2.6
185.09592	3.5
185.13326	11.6
187.11176	4.3
187.14783	9.8
189.12804	2.5
191.10669	1.9
193.10147	4.3
193.12183	2.6
194.10905	1.9
195.11667	8.5
196.12511	1.9
197.09721	3.0
197.13268	12.3
199.11156	1.9
199.14848	13.2
200.15288	1.6
200.97304	1.7
201.12720	1.6
201.16382	6.8
202.08028	1.6
205.12178	2.1
207.11678	5.5
208.12398	2.0
209.09605	3.3
209.13248	9.2
210.13866	3.2
211.11215	4.0
211.14880	7.5
213.12726	2.0
213.16316	4.3
214.17201	1.7
217.12262	3.7
219.11758	2.8
220.12495	1.5
221.13252	5.2
222.13904	2.0
223.11249	3.5
223.14816	9.4
225.12732	4.5
225.16289	9.3
227.14301	5.2
227.17903	12.8
229.19508	52.6
231.13818	2.9
232.12508	1.9
233.13197	2.7
235.11151	2.0
235.14790	4.7
237.16367	4.1
238.17049	2.3
239.14352	2.7
239.17848	3.3
243.13805	2.8
245.15392	1.7
249.12778	2.2
249.16365	2.2
251.14404	3.4
251.17987	5.4
253.15744	2.1
253.19484	3.2
261.12741	1.7
261.16293	2.8
263.14249	2.3
265.15903	2.8
266.20370	2.9
267.17661	1.7
267.20923	1.9
271.16913	4.0
275.20364	3.2
277.16324	1.6
279.17572	2.3
281.22720	9.0
283.24188	2.0
291.17398	2.0
303.17441	2.0
305.19061	2.4
307.20459	4.7
309.22104	13.2
325.21497	1.9
327.23175	23.6
328.23309	2.2
365.24753	10.6
378.12534	1.7
383.25806	100.0
384.26181	13.5
385.21609	2.8
403.22235	2.2
417.27841	5.9
427.26492	4.6
431.25668	2.1
433.27103	1.8
435.29169	10.3
437.30383	2.4
445.27310	15.7
446.27594	2.3
449.26434	1.7
459.25473	2.4
461.27045	3.7
463.28397	21.3
477.26480	3.2
481.29745	12.6
485.28769	7.9
541.35083	2.1
558.34894	5.1
559.35590	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21375	5.4
52.28397	6.0
53.03934	13.9
55.01863	7.9
55.05513	45.7
57.03447	7.4
57.27568	5.2
60.05653	8.5
65.03934	11.1
67.05504	69.1
69.03430	8.6
69.07056	35.9
69.26903	5.2
71.30733	6.8
79.05486	61.0
80.05846	5.1
81.03427	38.9
81.07059	83.8
83.04974	35.3
83.08613	20.6
85.02890	9.9
85.06525	7.4
91.05472	69.0
93.07036	72.7
95.04974	37.4
95.08604	60.3
96.17813	4.8
97.06518	9.3
97.10196	12.2
98.08059	5.2
99.01266	6.0
99.04439	7.6
103.05483	10.9
105.07036	89.5
105.07678	9.1
106.92541	5.3
107.04981	8.4
107.08601	62.7
109.06516	68.8
109.10165	32.1
111.04436	17.2
111.08088	19.0
117.07015	25.2
119.08576	81.1
121.06517	19.6
121.10159	29.9
123.08064	12.5
123.11684	8.6
123.25179	6.0
125.09659	11.1
128.06229	8.2
129.07001	26.5
130.07764	6.8
131.08556	57.2
133.06485	14.6
133.10133	54.5
135.08049	23.1
135.11710	18.2
137.05959	35.6
141.06984	7.6
142.07848	7.8
143.08565	28.0
145.06488	9.5
145.10120	51.9
147.08052	20.7
147.11667	26.8
149.09647	18.8
149.13286	10.0
150.18726	5.3
154.07706	6.1
155.07050	21.5
155.08569	30.5
156.09224	10.0
157.10144	36.5
159.08061	14.6
159.11678	43.2
160.12444	10.3
161.09642	11.8
161.13280	19.8
163.11200	10.9
165.06955	7.2
167.08635	10.8
169.10127	30.6
171.08029	10.4
171.11662	26.9
173.09628	13.0
173.13292	23.2
175.11110	11.1
179.08527	15.8
181.10094	19.5
183.07991	7.4
183.11731	22.3
185.09720	9.0
185.13283	22.5
187.11214	9.0
187.14845	11.9
191.69560	5.5
192.09384	7.5
193.10165	15.8
193.12164	9.1
195.11732	21.9
197.09679	10.8
197.13304	13.3
199.11189	15.1
199.14880	8.1
201.12849	8.5
205.10176	9.9
205.12251	5.4
206.10881	11.5
207.11703	24.7
209.09694	7.9
209.13298	12.1
211.11234	7.6
211.13145	10.5
211.14911	9.5
215.14523	5.6
219.11751	10.8
219.13760	8.3
221.13214	17.5
223.11061	6.6
223.14812	7.2
225.12831	7.7
232.12469	10.8
233.13289	12.0
235.11308	9.7
235.14751	8.4
237.12790	8.8
239.17982	6.4
241.19423	6.9
243.21120	16.0
249.12692	10.7
251.14381	6.6
253.15862	6.6
257.18958	11.8
259.14679	7.2
259.17072	13.8
261.12686	6.6
261.16281	9.7
262.13339	6.4
263.18176	8.1
265.12390	7.7
267.16013	6.9
271.17041	7.3
275.20160	20.8
281.22433	9.6
303.17392	10.2
307.20584	6.5
309.22116	22.4
321.18512	7.7
327.23163	45.6
364.55798	5.8
397.27225	8.2
401.24673	20.7
415.26157	16.2
417.27838	12.9
427.26422	10.6
443.25778	82.4
444.26239	6.7
445.27374	24.6
457.25745	6.1
459.25317	11.2
461.26898	100.0
462.27396	11.8
463.28302	45.9
477.26932	6.5
481.29395	18.2
541.35114	12.5
558.34729	7.1
559.36548	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
54.49656	1.3
55.01870	2.1
55.05503	4.0
62.50504	1.2
67.05512	6.5
69.03430	2.6
69.07079	1.5
71.05001	1.3
71.29259	1.6
79.05488	3.8
81.03432	1.9
81.07071	5.3
83.04983	11.7
85.02913	1.9
91.05486	7.8
93.07039	11.8
95.04968	2.7
95.08592	11.2
97.02924	1.8
97.06520	2.4
105.07019	8.4
107.05021	1.2
107.08594	5.7
109.06529	3.0
109.10193	2.0
110.98802	1.2
111.04450	7.3
111.08116	2.1
117.06998	2.8
119.08565	9.1
121.06512	1.8
121.10184	2.2
123.08055	2.4
128.06253	2.7
129.06976	5.9
131.08575	5.4
133.06581	1.2
133.10126	6.5
135.08047	3.7
137.05980	4.8
139.07581	3.0
141.06972	2.7
142.07809	2.2
143.08592	5.6
145.06454	1.6
145.10136	3.8
147.08061	2.9
147.11658	1.8
153.06975	2.2
155.08543	10.7
156.09322	3.8
157.06592	1.6
157.10139	4.9
158.07292	1.4
159.08034	1.8
159.11688	4.9
161.09615	1.9
161.42152	1.3
163.07556	1.3
165.06992	2.9
167.08534	3.6
169.10083	5.9
171.08028	3.2
171.11690	5.5
172.08778	1.7
173.09637	2.3
173.13274	1.7
175.11227	1.3
178.07834	1.8
178.15707	1.1
179.08578	6.3
180.09445	1.9
181.10167	3.5
183.08058	1.7
183.11751	4.6
185.09634	2.9
187.11234	3.3
189.09178	1.4
191.08609	2.5
192.09378	4.1
193.08681	1.3
193.10153	5.7
194.10678	2.9
195.08171	3.3
195.11674	4.9
197.09615	7.6
197.13206	2.0
199.11183	1.5
204.09431	2.3
205.10178	4.4
206.10849	2.5
207.11702	8.0
208.12404	1.4
209.13261	5.5
211.07591	1.3
211.11205	1.6
215.08784	1.9
215.10684	7.4
216.09387	1.7
217.10121	3.5
218.10881	2.6
219.11681	5.0
220.12508	2.8
221.09616	1.4
221.13246	5.4
222.13893	2.1
223.11180	2.8
225.12744	3.3
229.10225	2.5
230.10881	2.2
231.11742	4.3
232.12459	2.9
233.13210	3.4
235.11243	3.0
237.12889	1.5
242.10881	2.1
243.11694	4.7
244.12440	3.3
245.13237	4.4
245.15497	2.5
246.13977	1.9
247.11159	2.6
247.14796	2.7
249.12775	2.9
251.10776	1.5
255.11531	1.6
255.13887	4.4
256.12421	2.3
257.13278	4.1
258.13983	3.6
259.14749	8.8
260.11752	2.2
260.15616	3.1
261.12912	2.6
261.16360	2.9
267.13773	2.7
268.01645	1.4
269.13187	1.6
271.14819	3.4
272.11816	2.2
273.12814	2.3
273.16318	5.3
274.09610	1.2
275.14175	2.1
275.18082	2.3
276.18677	1.2
277.15790	2.1
283.14859	1.6
284.15704	1.7
285.12769	2.0
285.16269	2.9
286.13620	1.6
286.16934	2.6
287.14240	3.6
288.15091	1.6
289.15967	1.3
291.13931	1.3
291.17728	1.3
297.16104	1.3
299.14102	2.6
299.17789	2.3
300.18756	1.6
301.15918	2.7
301.19409	2.3
302.16544	1.9
305.15369	1.9
313.15875	1.4
314.20493	1.5
315.17722	1.8
317.15442	1.4
319.16937	4.0
321.18521	1.5
323.19998	1.4
327.17487	4.2
329.18896	1.4
331.17017	1.7
331.20547	1.6
342.19751	2.8
345.18561	4.1
349.21515	1.6
360.20538	1.9
399.23236	5.0
413.24911	5.7
415.26614	7.7
417.23938	2.5
419.22147	1.5
423.23065	3.8
431.25766	3.8
441.24283	53.7
442.24609	6.7
459.25345	100.0
460.25522	12.3
477.26620	15.4
478.26620	1.7
505.21719	1.4
558.32843	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.6
53.30978	2.9
55.01869	4.1
55.05513	25.3
57.03444	21.0
57.07079	48.3
67.05505	33.7
69.07065	14.0
71.04989	3.7
71.08627	29.0
79.05489	31.8
80.04535	3.4
81.03422	56.1
81.07054	40.7
81.77422	3.5
83.04991	17.0
83.08620	32.5
85.02914	20.2
85.10181	16.4
89.06009	4.2
91.05483	40.8
93.07032	21.9
95.04956	24.1
95.08597	28.5
96.67750	2.8
97.06545	7.4
97.10179	8.1
98.22569	7.8
99.11684	3.7
99.63046	3.1
103.07638	2.9
105.07034	27.9
107.04955	4.1
107.08590	12.6
109.06506	5.4
109.10155	12.3
111.08097	9.0
118.35288	3.7
118.80048	3.1
119.08596	21.0
121.10162	10.1
123.11724	7.0
129.06982	9.4
131.08545	16.2
133.10149	13.4
137.13214	3.9
147.08046	3.8
147.11708	14.5
149.09624	5.5
157.10159	15.4
167.07117	5.7
175.11211	18.9
193.12239	48.5
211.13315	61.9
239.23643	3.4
267.15927	14.3
285.16959	65.1
313.27356	100.0
338.88309	3.1
343.41342	3.4
352.62201	3.5
485.92157	3.3
505.38629	13.0
523.39960	69.3
524.40405	4.8
558.42657	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97916	5.2
55.05513	19.9
57.03422	13.4
57.07076	29.2
63.00030	5.1
67.05508	26.5
69.07055	17.5
69.12923	22.8
69.13342	13.4
71.05000	4.7
71.08616	26.7
79.05489	15.5
81.03410	45.5
81.07057	42.2
82.47124	4.0
83.04964	14.9
83.08616	24.8
85.02901	17.5
85.10167	17.1
86.29980	3.9
91.05461	20.9
93.07055	14.4
94.65465	3.9
95.04974	20.6
95.08609	21.9
97.06506	4.8
97.10184	6.7
101.32176	3.6
105.07017	13.3
107.04974	7.4
107.08608	10.0
109.10169	8.3
111.08063	7.9
119.08572	15.6
121.10154	10.5
129.06984	9.5
131.08533	10.2
147.11676	10.0
157.10185	8.7
175.11253	8.7
193.12276	35.3
211.13281	65.0
212.13629	3.7
236.71184	3.7
267.15945	11.3
285.16934	48.5
285.27301	4.6
313.27283	73.3
314.27615	4.9
316.45898	4.4
403.24316	4.5
440.02768	4.3
471.43372	4.1
505.38733	6.4
523.39941	100.0
524.40051	5.6
543.41595	4.0
558.53717	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1363
Annotation	Albanol B
Peak:m/z	Relative Intensity
52.59582	3.3
62.20881	3.4
63.75287	3.7
68.12980	3.2
69.05702	37.2
71.75828	3.3
75.72114	3.3
95.83665	3.4
101.95509	3.5
110.72704	3.9
128.21997	4.0
207.45673	3.5
239.10611	4.1
252.07796	8.0
255.06660	5.6
260.20456	3.9
265.08554	5.9
267.10172	8.5
268.07404	6.8
269.08163	6.5
270.04395	3.8
281.08258	4.9
283.06079	4.1
284.06885	5.1
285.07590	6.4
295.09647	10.2
297.07748	7.4
297.11102	6.6
299.05563	4.6
299.09180	8.5
311.05579	5.0
325.10770	11.6
326.07852	12.0
327.08600	10.5
342.07489	4.8
355.11847	25.8
357.09711	8.6
399.14386	30.0
415.17648	5.3
437.09991	12.8
484.46002	4.0
559.13617	100.0
560.13824	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01870	1.1
55.05517	4.0
57.03431	1.1
60.05645	0.5
61.30310	0.4
61.86640	0.4
62.18382	0.5
67.05502	6.4
69.03424	0.9
69.07071	2.9
69.19983	4.2
71.04994	0.8
79.05492	6.3
81.03415	7.1
81.07055	6.7
83.04979	2.2
83.08622	2.3
83.79855	0.5
83.85036	0.6
85.06548	0.6
91.05479	7.2
93.07043	5.8
95.04974	3.4
95.08613	3.7
96.08922	0.6
97.02916	0.8
97.06557	1.0
97.10167	1.5
98.33196	0.6
104.59462	0.4
105.04523	0.6
105.07029	5.9
106.57362	0.5
107.04957	2.2
107.08601	3.1
108.80608	0.5
109.06528	0.8
109.10150	1.8
111.08052	1.2
115.05462	0.6
117.07012	2.8
119.08606	4.7
121.06490	1.5
121.10138	2.8
123.08038	1.3
125.09657	0.9
129.07011	2.1
131.08563	3.6
133.06502	1.3
133.10136	3.3
135.08063	0.7
135.11710	1.4
137.09653	0.7
142.07755	1.0
143.08546	1.7
145.10121	2.8
147.08055	1.1
147.11682	2.4
149.09654	2.0
151.11186	1.0
155.08549	0.6
157.10141	1.7
159.08096	0.6
159.11720	1.8
161.09596	1.1
161.13281	0.6
163.11197	1.4
165.06975	0.6
166.07791	0.7
167.08487	0.7
168.05721	0.5
169.10074	0.9
171.11678	1.2
173.09607	0.7
173.13239	1.1
173.27850	0.5
175.11205	1.2
183.11699	1.0
187.11205	1.1
189.11270	0.7
193.12250	1.4
195.08076	0.9
196.08879	0.5
196.12398	0.6
197.05853	0.5
201.12842	0.5
211.07506	0.9
211.13246	0.7
212.08249	0.7
221.13266	0.5
223.07385	0.7
225.05481	0.9
226.06248	1.9
227.06976	0.9
227.10757	1.0
227.12791	1.5
236.04663	0.6
239.03424	0.7
239.06985	1.1
240.07780	1.2
241.05011	0.6
241.08488	0.7
243.06404	0.6
251.07057	0.8
252.07863	0.5
253.08566	0.6
254.05754	3.9
255.06395	1.4
255.10268	1.5
257.04544	2.0
257.18930	1.1
259.20621	0.8
265.08673	0.8
266.05698	0.7
267.06604	1.0
267.15912	1.9
268.07285	0.6
269.04474	1.2
269.08096	0.7
270.05203	0.6
271.06073	1.5
273.18643	0.7
275.20132	6.2
281.08072	0.6
282.05371	0.9
283.09637	0.8
285.04391	0.8
285.07568	5.0
286.04654	1.5
286.07773	0.7
291.19586	1.0
292.19986	1.0
293.08057	0.8
293.20944	1.4
294.08749	0.7
295.06302	0.6
295.09631	1.1
297.04034	1.2
297.07510	1.4
298.08237	1.0
299.05576	1.3
299.09146	1.8
300.06302	5.8
301.07123	5.0
309.07474	2.7
313.10703	2.3
314.08017	1.2
314.11401	4.8
315.08636	15.8
315.12067	1.3
315.23236	0.6
316.09042	0.8
329.10220	1.1
330.10956	5.4
337.17969	0.8
340.09219	0.7
343.08054	6.4
345.13333	4.8
349.23792	2.1
355.11749	10.8
356.12341	0.8
373.12811	1.4
391.07468	0.7
437.12082	100.0
438.12473	7.3
467.31723	1.6
477.26538	0.9
478.14673	0.6
478.26630	1.1
541.35406	4.2
558.35046	0.7
559.36121	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88013	0.4
57.07074	0.4
67.05492	1.4
69.07078	0.8
69.28920	0.3
79.05475	1.4
81.03386	0.4
81.07053	1.4
83.08635	0.5
84.47154	0.4
91.05463	1.2
93.07041	0.8
95.08608	1.3
97.06522	0.4
98.22590	1.5
105.07040	1.2
107.08604	0.6
109.10172	0.4
115.67499	0.4
116.32294	0.4
119.08552	0.9
121.10136	0.6
127.12032	0.4
133.10124	0.5
145.10153	0.8
169.06459	0.6
197.05989	0.8
197.09694	0.4
198.06744	0.7
211.07576	0.8
214.06290	1.1
223.07629	0.7
224.08482	0.4
225.05452	1.1
225.09077	1.1
226.06190	0.8
227.07010	1.3
229.08719	0.5
233.09563	0.9
236.08173	0.6
237.09186	0.6
238.06068	0.6
239.07057	1.2
241.04907	0.9
241.08641	1.1
242.05661	0.7
243.06502	0.9
248.08257	0.8
248.12041	0.5
249.09106	1.2
251.07147	0.4
251.10704	1.3
252.07872	1.0
253.08647	1.5
254.05774	0.8
254.09427	1.6
255.06538	2.7
255.10179	0.6
256.07272	3.0
257.04535	0.7
257.08096	2.2
261.09125	0.8
262.09833	0.9
263.07104	0.5
263.10657	1.9
264.11481	2.3
265.08621	0.8
265.12225	0.9
266.05685	0.8
266.09128	0.5
267.06567	1.3
267.09979	0.8
267.13828	1.1
268.07230	0.8
268.10968	1.5
269.04953	0.4
269.08075	2.8
269.11044	0.5
270.05499	0.7
270.08875	1.2
271.06116	0.7
271.09564	0.6
272.06781	2.4
272.09848	0.5
278.09500	0.9
278.12814	0.8
279.10190	2.9
279.13788	2.4
280.07700	0.6
280.10895	1.6
281.08072	2.4
281.11435	0.8
282.08759	1.1
283.06424	0.8
283.09647	2.3
284.06818	3.8
284.10022	0.8
285.04471	0.6
285.07596	4.2
285.10693	0.8
286.07892	0.5
287.09177	1.3
291.10156	2.3
292.10886	1.5
293.08386	0.9
293.11746	1.9
294.12549	1.2
295.09851	1.0
295.13321	5.0
296.06812	0.7
296.10339	0.7
297.07578	3.4
297.10864	0.8
298.08255	1.7
299.05768	0.5
299.09146	12.3
299.12637	0.8
300.06277	4.0
300.09769	1.6
301.06937	1.0
305.11627	0.8
306.09067	0.7
306.12363	3.7
307.09604	3.2
307.13309	3.3
308.10422	1.6
309.07864	0.5
309.11133	1.6
309.14908	2.8
310.12112	0.7
310.15594	1.6
311.09137	3.1
311.12720	1.0
311.16040	0.5
312.09903	7.9
313.06891	1.2
313.10645	2.8
314.08035	1.0
315.08636	7.6
316.09372	6.8
317.09882	0.5
321.11108	1.2
322.11932	4.3
323.09283	0.6
323.12756	8.6
324.09827	0.6
324.13358	0.6
325.10593	1.1
325.14432	1.4
326.08105	0.3
326.11453	12.3
326.14847	0.7
327.08554	1.2
327.12152	1.8
328.09396	2.3
329.10147	3.7
330.10947	23.2
331.11649	3.6
336.13574	0.6
337.10638	1.3
337.14282	13.7
338.11508	0.6
338.15070	5.2
339.12189	2.9
339.15686	0.8
341.10361	0.8
341.17432	2.5
342.10941	1.9
343.11707	5.5
344.12485	0.9
352.13080	0.7
353.13831	14.0
354.14682	2.2
355.11887	0.6
356.12473	1.0
357.13242	6.7
367.15399	0.8
368.16183	31.4
369.16974	20.3
370.17612	0.7
381.17245	0.8
384.15738	3.8
399.18002	100.0
400.18359	6.5
437.13583	3.8
445.81430	0.4
509.36356	0.6
559.17096	1.6
559.39569	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
62.73460	0.2
69.03445	0.4
70.49630	0.6
70.49995	0.5
103.95062	0.3
109.13219	0.2
109.72276	0.3
163.07564	0.4
165.01836	0.4
185.04274	1.2
225.10248	1.1
230.51215	0.3
243.11368	0.3
249.14958	0.5
303.44727	0.3
397.12634	0.8
493.77448	0.3
559.17847	100.0
560.18176	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84361	3.4
89.03931	9.1
97.41012	4.4
105.07027	44.2
106.07389	5.3
114.94458	3.8
117.03371	9.1
118.06532	22.0
122.09669	18.1
123.04452	35.9
131.38106	4.4
132.08112	4.3
135.04427	15.5
137.09599	5.3
139.03925	24.1
144.08124	7.0
145.02884	11.3
146.06023	59.7
147.04510	4.5
159.09146	9.6
163.03893	47.6
165.09190	6.6
169.72604	5.0
170.06030	4.3
177.05469	10.5
187.03856	5.9
188.07060	100.0
188.08722	5.8
201.11269	7.5
205.09692	33.8
213.05499	5.6
219.12152	4.9
365.28296	4.9
391.07932	5.1
407.07617	9.0
409.09265	11.6
413.25931	5.3
421.09296	6.5
437.08380	10.0
473.23462	4.8
541.11365	7.7
559.12109	6.6
559.23511	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01867	2.9
55.05514	5.5
57.03421	0.9
65.03908	0.9
67.05508	8.8
69.07069	7.4
69.35864	4.2
69.36268	1.2
71.04988	1.1
75.96723	0.7
79.05492	11.1
81.03424	8.7
81.07063	12.5
83.04990	2.1
83.08630	3.9
91.05477	13.6
93.07037	8.7
95.01328	2.3
95.04953	5.0
95.08609	5.7
97.06547	4.7
97.10159	2.2
97.59595	0.9
105.04494	0.9
105.07031	14.2
107.04955	4.2
107.08587	3.9
109.06528	2.1
109.10176	3.2
111.04451	0.9
111.08101	1.6
115.05434	0.9
117.07037	5.2
119.08601	9.3
121.06477	2.2
121.10146	3.2
129.07014	3.2
131.08568	7.3
133.10129	7.6
135.08064	1.5
135.11703	1.4
137.09630	1.5
141.07065	1.3
143.08569	1.9
145.06534	1.2
145.10104	4.2
147.11678	5.1
149.09624	2.5
155.08597	1.4
157.10152	2.6
159.11679	1.8
161.13217	0.9
163.11182	2.0
171.11693	1.9
175.11200	1.7
179.14281	2.0
181.06560	1.1
188.56598	0.9
189.11154	0.9
193.12274	3.7
195.13863	1.1
197.05870	1.0
209.05991	1.3
211.07558	2.5
211.11443	0.9
211.13300	2.7
221.06047	0.9
223.07584	2.3
224.08278	1.6
225.05487	2.0
225.09114	1.3
227.07059	3.3
229.08588	1.2
235.07607	2.7
237.05360	1.2
237.09175	1.4
238.06187	0.9
239.07082	1.8
239.10727	2.4
240.07854	2.9
241.08650	4.0
242.09399	1.7
243.06631	1.1
249.09129	2.3
251.07063	2.3
252.07845	3.4
253.04955	1.2
253.08505	4.2
254.05605	2.2
254.09427	2.4
255.06514	3.6
255.10162	2.7
256.07224	2.3
257.08115	2.2
257.18939	1.5
261.09195	1.1
263.07144	1.4
264.07953	1.2
265.08664	3.4
265.12311	1.0
266.09421	1.7
267.06537	2.9
267.10211	7.8
267.15985	3.4
268.07343	3.8
268.10876	2.4
269.08151	6.7
269.11105	1.0
270.05228	1.6
270.08691	2.1
271.06070	3.0
271.09552	2.0
275.20123	15.1
276.08133	1.2
276.20413	1.4
277.08484	1.5
278.09503	2.9
279.06937	1.5
279.10175	3.9
280.07346	2.8
280.10922	2.6
281.08139	4.4
281.11737	2.4
282.05688	1.0
282.08948	4.2
282.12579	3.6
283.06226	2.1
283.09689	7.3
283.12976	1.5
284.06912	5.8
284.10248	2.3
285.07654	5.7
285.10571	1.2
291.10205	1.3
292.10849	1.7
293.08118	2.8
293.11792	3.7
293.21158	2.1
294.08871	2.7
295.06326	1.0
295.09622	14.0
296.06738	3.1
296.10370	3.3
297.07617	5.5
297.11270	7.6
298.08389	6.0
298.11707	2.0
299.05807	1.4
299.09082	16.0
299.12299	1.1
300.06570	1.5
300.09866	5.2
301.10620	1.9
305.08167	1.1
308.10544	1.2
309.07523	2.4
309.11279	6.8
310.08450	3.5
310.12076	14.9
311.09152	9.8
311.12723	4.5
312.06403	1.7
312.09903	8.9
313.07104	3.5
313.10712	11.2
313.14417	4.4
314.11359	2.1
315.08676	4.9
315.12378	2.6
320.10431	2.7
321.11316	3.8
323.12830	2.0
324.09869	1.8
324.13464	1.2
325.10703	20.2
325.14502	1.2
326.07855	2.3
326.11414	13.7
327.08615	10.7
327.12262	3.5
328.09280	3.8
329.10184	5.7
330.10901	1.5
331.11957	1.6
335.12830	2.1
336.09964	1.7
339.12347	3.3
340.09393	1.4
340.13049	36.4
341.10168	13.3
341.13855	23.8
342.10916	21.8
342.14645	2.1
343.08060	2.1
343.11777	7.3
349.23779	2.1
351.12271	10.1
356.12543	24.6
357.13043	4.4
358.10251	4.5
365.13892	1.2
366.14594	10.2
367.15405	2.6
369.13306	1.3
371.14896	50.7
372.15247	6.7
373.12769	22.8
374.13248	1.7
383.14880	14.4
384.15540	9.9
385.16296	2.5
387.18744	1.0
397.16336	5.9
398.17212	1.2
400.15472	1.1
415.17499	92.8
416.17828	8.9
437.15714	100.0
438.16003	10.0
541.35431	5.2
559.19397	35.2
559.36365	8.5
560.19305	4.2
560.36359	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.5
59.05003	2.1
65.24603	0.9
67.05507	2.1
71.32644	1.5
73.56238	1.0
74.58083	1.0
75.04457	2.1
79.05498	1.8
81.07088	1.8
92.67574	1.0
93.07020	1.3
95.08604	1.3
105.07072	1.1
119.08569	1.3
145.10146	1.1
195.07974	1.4
197.05835	1.0
199.07620	1.8
207.08189	2.0
209.06094	1.1
210.06891	1.6
211.07579	2.8
212.08421	1.5
213.09192	1.7
224.08376	2.4
225.05544	1.1
225.09099	2.2
226.06264	1.3
227.07088	3.5
228.07793	1.3
235.07597	2.4
236.08330	1.9
237.09045	2.2
238.06277	1.4
239.07048	4.9
239.10715	2.7
240.07855	2.2
241.05075	1.3
241.08527	5.6
242.09552	1.6
248.08377	1.5
249.09068	1.8
251.07127	3.0
251.10654	2.5
252.07802	3.2
253.08618	4.2
254.05791	2.5
254.09436	2.9
255.06598	3.0
255.10211	3.9
256.07300	1.9
257.08112	2.5
263.07043	1.5
264.07819	1.2
265.08691	4.0
266.06693	1.0
266.09442	4.5
267.06641	3.8
267.10220	9.0
268.07251	3.7
268.10873	1.4
269.05072	1.4
269.08160	7.3
269.11768	2.7
270.08762	2.3
271.06171	2.0
271.09540	2.2
277.08691	2.1
278.09549	3.1
279.10184	4.6
279.81610	1.1
280.07584	2.0
280.10977	3.2
281.08124	4.3
281.11462	1.7
282.09164	5.0
282.12524	4.5
283.06485	1.8
283.09692	6.3
283.13315	3.0
284.06815	10.9
284.10324	2.5
285.07620	7.5
285.10751	1.8
291.10315	1.9
292.11075	1.7
293.08160	3.7
293.11685	2.5
294.08939	3.6
294.12170	1.5
295.06091	2.7
295.09711	15.0
296.06943	2.1
296.10477	3.4
297.07648	7.3
297.11298	13.9
298.08420	3.8
298.11844	2.1
299.05621	3.1
299.09103	18.1
299.12674	2.3
300.06357	3.3
300.09903	11.0
301.10715	3.4
308.10657	2.4
309.07571	2.8
309.11234	8.3
310.08374	5.5
310.12097	9.7
311.09180	6.8
311.12827	8.3
312.06366	2.0
312.09946	11.0
312.13568	6.6
313.07190	2.4
313.10733	12.9
313.14188	1.8
314.07785	3.0
314.11511	3.5
315.08609	3.3
315.12274	4.1
319.09464	1.5
320.10419	2.3
321.11154	6.6
323.12616	2.1
324.09949	2.8
324.13489	1.5
325.10693	24.2
325.14392	1.1
326.11270	7.7
327.08670	13.9
327.12305	4.0
328.09265	3.7
328.13132	3.0
329.10202	8.3
330.10941	1.5
331.11798	2.9
335.12836	2.9
336.13589	2.7
337.10834	4.1
339.12244	5.1
339.16010	1.6
340.13043	61.5
341.10077	7.1
341.13821	16.3
342.10922	38.7
343.08023	3.5
343.11789	13.3
343.15479	3.5
351.12207	8.2
352.12988	1.5
353.13867	2.5
356.12500	13.4
357.13269	3.9
358.10345	6.9
366.14700	10.5
367.15329	9.4
371.14883	78.8
372.15295	5.1
373.12808	26.5
374.13370	2.1
382.14362	2.2
383.14767	1.3
384.15524	1.7
385.16422	20.8
386.16858	1.5
387.18015	1.3
397.16302	8.7
415.17496	100.0
416.17874	8.8
437.15695	73.3
438.16016	6.2
559.19379	39.6
560.19836	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31939	1.9
56.03989	1.8
60.22044	1.9
70.06588	3.5
71.23256	3.4
71.23596	2.6
71.65222	1.9
81.07050	11.4
88.07630	5.0
93.07062	2.7
95.04971	2.8
98.90185	1.9
102.09171	3.8
104.62271	2.3
105.07038	4.0
109.06526	3.3
115.05444	1.9
117.07069	2.3
119.08604	1.9
123.08073	2.7
128.98573	2.0
131.08531	2.4
135.08107	2.1
137.06021	10.5
149.02362	6.8
150.02609	2.2
161.09624	3.8
168.15753	2.2
168.90054	2.2
186.39709	2.0
187.07410	2.1
193.05002	10.2
194.05203	4.0
200.20078	9.7
201.20465	4.8
212.60553	1.9
224.03583	4.1
231.10133	2.0
373.97916	2.2
385.09149	7.1
386.09518	7.5
425.16113	4.4
435.05237	2.3
435.18124	2.4
442.24652	2.7
485.17792	5.5
494.30835	1.9
495.19855	4.0
497.21774	5.2
524.14789	1.9
525.20746	2.8
529.52124	2.2
541.20178	14.8
542.21088	3.1
559.19226	100.0
559.26898	18.1
560.20087	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1941
Annotation	Biscyclolobin
Peak:m/z	Relative Intensity
58.94015	1.9
63.27370	1.8
67.05534	1.7
70.05004	6.5
70.06588	3.7
77.21578	1.9
81.07046	5.3
88.07644	4.1
91.05477	4.3
93.07046	2.5
98.23357	2.0
102.09152	2.1
105.07082	1.8
109.06543	3.1
129.07004	2.7
131.08575	3.3
133.10098	2.1
137.05972	6.8
149.02336	7.5
151.04024	2.2
157.06590	2.1
161.09711	2.0
163.07486	3.5
169.10214	2.3
177.09033	2.1
182.49663	1.8
185.09621	2.0
193.04947	8.1
194.05379	3.6
200.20079	7.1
201.09135	2.0
201.20432	5.2
215.06969	1.9
224.03719	3.7
237.02895	3.2
313.50488	2.0
341.06592	1.9
385.09180	3.3
386.09326	4.6
425.15857	4.7
485.18106	3.9
495.20084	5.1
497.21240	2.6
523.19073	4.4
525.21021	2.1
541.20422	13.2
559.19208	100.0
559.26782	14.3
560.20190	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2153
Annotation	Roritoxin B
Peak:m/z	Relative Intensity
54.51015	0.5
55.05504	0.6
67.05514	0.6
69.03434	0.9
70.62756	1.1
71.91462	0.5
79.05494	0.5
81.07066	2.6
83.01080	0.9
91.05470	0.8
95.01092	1.6
95.35941	0.5
96.01864	0.6
109.06561	0.8
113.02132	2.0
129.06979	0.5
131.04945	0.8
134.78380	0.5
137.05975	2.9
144.60361	0.5
145.06516	0.5
145.10159	0.5
155.08537	0.5
157.04707	0.9
167.03238	0.7
170.91911	0.5
171.08051	1.0
176.04501	1.6
179.08484	0.5
185.04236	3.7
185.05830	1.5
189.09116	0.6
193.10146	0.7
199.07597	0.6
201.03664	1.2
201.05283	2.9
216.07579	14.6
217.08377	1.5
250.09825	0.5
251.10713	0.6
265.12085	0.5
297.53531	0.5
297.56989	0.6
299.05511	0.7
325.10712	0.6
351.10641	0.7
365.12045	5.7
366.12216	0.7
417.16888	1.9
427.13699	0.6
477.19022	0.6
479.20557	0.9
495.20038	1.2
497.21866	1.1
505.18781	0.7
507.20313	1.0
513.21240	1.8
523.19623	1.4
529.20276	0.6
541.21539	0.7
559.21417	100.0
560.21533	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2177
Annotation	Physalin I
Peak:m/z	Relative Intensity
51.03205	0.3
51.21271	0.3
53.03951	1.2
54.53186	0.2
55.05502	0.4
59.03408	0.3
64.90689	0.3
65.03944	0.8
67.05501	1.2
68.99783	0.4
69.03429	10.9
69.04969	0.5
69.05373	2.0
78.25138	0.3
79.05493	14.6
80.05850	0.3
81.03407	0.5
81.07056	85.3
82.07386	1.6
83.04995	0.5
91.05486	4.1
93.07069	1.2
95.04967	1.6
95.08630	1.3
97.02827	0.3
103.05453	0.4
105.07034	1.9
107.04949	0.5
107.08582	1.1
109.02872	0.4
109.06519	22.7
111.04413	0.3
115.05460	0.7
117.07002	1.3
119.04954	1.3
119.08577	1.5
121.06495	1.7
123.04408	0.6
123.08072	1.0
124.90333	0.3
128.06232	1.0
129.06998	1.5
130.07777	0.2
131.04900	0.5
131.08539	1.3
131.73358	0.3
133.06465	0.7
133.10115	0.7
135.04346	0.3
135.08060	1.6
137.05977	100.0
138.06296	2.6
139.03874	0.3
141.06995	0.4
142.07825	0.5
143.08542	1.5
145.06473	2.0
145.10101	0.9
147.04457	0.3
147.08043	1.7
149.06030	0.4
149.09598	0.5
151.07533	0.3
153.07025	0.3
154.07646	0.3
155.08553	1.0
156.09326	0.3
157.06497	0.4
157.10135	1.0
159.08060	1.1
161.06020	0.5
161.09644	1.7
162.10181	0.3
163.07547	1.4
165.05487	0.6
165.09135	0.4
165.71248	0.3
167.08510	0.5
169.10115	1.1
171.08060	1.2
171.11609	0.3
172.08768	0.4
173.05963	0.7
173.09616	2.8
174.10416	0.6
175.07544	0.4
175.11217	1.8
177.09108	0.4
179.03551	0.3
179.07051	0.6
181.08557	0.8
181.10118	0.9
183.11765	0.6
185.09601	1.2
187.07568	0.3
187.11191	1.1
189.09102	1.7
189.12729	0.6
191.07004	0.7
195.08052	0.6
195.11748	0.4
197.09637	0.9
197.13193	0.4
199.07561	1.0
199.11185	1.1
199.15164	0.3
201.09087	0.9
201.12817	0.4
203.10675	1.7
209.09621	0.6
211.07588	0.5
211.11156	0.8
211.14755	0.3
213.09091	0.7
213.12752	1.2
215.10628	0.5
215.14330	0.3
216.07712	0.4
217.08530	1.0
219.10088	0.8
222.10429	0.3
223.11197	0.7
224.11874	0.3
225.09067	0.5
225.12723	1.0
227.14301	0.6
231.10141	4.9
232.10587	0.5
235.10936	0.3
237.09039	0.3
237.12770	0.3
239.10748	0.4
239.14314	0.5
243.10167	0.4
251.10663	0.9
253.12170	0.5
255.13808	0.5
257.11792	0.3
261.09100	0.3
265.12009	0.4
267.13705	0.7
269.11758	1.8
271.13318	0.4
275.12735	0.3
285.14880	1.5
287.12753	1.2
293.11816	0.3
293.15146	0.3
294.12637	0.3
295.13177	0.5
323.12784	0.4
331.15280	0.9
337.35837	0.3
341.13751	1.0
357.17139	0.4
359.14893	1.3
367.15231	0.3
375.19113	0.5
385.16998	0.3
389.17453	0.3
393.20734	2.5
403.18454	2.1
405.15292	1.5
405.20483	1.9
413.17105	0.3
421.20221	1.3
431.18500	3.7
432.19025	0.3
433.19556	0.5
449.19757	4.0
450.19678	0.5
451.21179	0.6
459.17935	1.0
467.21201	1.6
473.97720	0.3
477.19290	1.2
479.20609	0.4
495.20062	3.5
497.21368	0.3
513.21100	3.5
523.19434	1.1
541.22437	1.2
559.25854	1.7
559.32483	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33661	0.4
51.63443	0.5
54.42669	0.4
55.01824	0.5
62.89084	0.4
64.75938	0.4
66.44528	0.4
69.03372	0.9
69.07039	0.5
71.29088	0.7
79.05438	1.0
81.07041	1.1
83.04923	1.0
85.02876	0.9
91.05411	1.5
91.83549	0.5
93.06992	1.2
95.04886	0.8
95.08537	0.8
97.02826	0.7
101.02350	0.8
105.04449	0.5
105.06966	1.2
107.04881	0.6
107.08546	1.0
109.06404	0.5
109.58744	0.5
111.04379	1.1
116.97917	0.4
116.98675	0.6
119.08537	1.1
121.06448	0.7
123.04398	0.9
129.06956	0.5
131.08517	1.0
133.10066	0.7
134.68002	0.4
137.05890	1.7
139.03882	0.6
143.08495	0.6
145.10081	1.0
149.09586	0.6
157.09979	0.4
161.05859	1.1
161.09506	1.0
167.07005	0.4
173.13161	0.5
175.07526	0.8
189.09056	0.7
231.13750	0.5
249.14828	0.6
349.23300	0.8
379.24600	3.6
387.19891	0.6
397.25598	95.8
398.25952	7.1
479.85318	0.5
489.23108	0.8
559.30884	100.0
560.22937	1.0
560.31232	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05475	0.6
61.86354	0.4
67.05486	0.5
69.07025	0.5
71.28952	0.8
71.63683	0.4
79.05440	1.0
81.07003	1.5
81.07530	0.4
85.02871	0.8
85.06543	0.5
85.24026	0.4
87.04421	1.3
91.05436	1.3
93.06996	1.3
95.04931	0.5
95.08532	0.6
97.02844	0.5
102.51493	0.4
105.06957	1.3
107.08528	0.6
109.06477	0.5
109.10148	0.9
119.08525	0.5
123.04390	1.0
131.04912	0.7
131.08525	0.6
137.05954	0.8
145.10069	0.7
147.08025	0.6
147.11624	0.5
155.08521	0.5
161.09496	0.5
171.07904	0.5
185.04201	0.6
212.10634	0.7
217.08612	0.8
218.90112	0.5
312.83203	0.5
367.24365	0.6
379.24365	2.2
395.24127	0.7
396.23987	0.9
397.25583	77.4
398.25885	4.2
409.18591	0.5
500.67081	0.5
559.30835	100.0
560.31335	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25926	0.1
58.07647	0.1
65.03896	0.1
67.05505	0.3
69.07071	0.2
70.06577	0.2
79.05485	0.2
81.07039	0.2
83.05002	0.2
85.02889	0.3
87.76952	0.1
88.07629	0.2
91.05462	0.1
96.12006	0.1
98.22975	0.8
105.07030	0.2
109.10152	0.2
120.34443	0.1
129.07085	0.1
135.62616	0.1
143.08554	0.2
149.85083	0.1
152.06177	0.2
153.06972	0.2
155.08635	0.1
157.06435	0.1
158.07222	0.3
159.08040	0.4
165.07011	0.4
167.07079	0.3
168.05765	0.2
169.06586	0.1
171.08011	0.3
173.09621	0.6
178.07837	0.3
179.08565	0.4
181.06528	0.4
181.10097	0.3
182.07213	0.3
183.04285	0.1
183.07988	0.3
185.05998	0.2
187.07466	0.2
191.08511	0.3
192.09355	0.5
193.10124	0.4
194.07208	0.2
195.08044	0.7
196.05257	0.4
196.08919	0.2
197.05988	0.6
197.09604	0.3
198.06862	0.2
199.07523	0.2
201.09097	1.3
202.07866	0.3
202.09886	1.7
203.08557	0.4
203.10321	0.2
205.06458	0.4
205.10081	0.3
206.07285	0.2
207.08057	0.5
207.11656	0.6
208.08794	0.4
209.06151	0.3
209.09599	1.4
210.06732	1.6
210.10114	0.2
211.07518	1.3
211.11208	0.2
212.08316	0.5
213.05476	0.4
214.06229	0.2
217.10156	0.2
219.08034	1.2
220.08775	1.7
221.05960	0.2
221.09531	1.4
222.06749	0.4
222.10300	0.4
223.07536	0.6
223.11133	0.6
224.04707	0.2
224.08266	0.5
224.11891	0.3
225.05492	0.3
225.09106	1.0
226.06245	0.5
226.09937	0.4
227.06956	0.5
228.07768	0.4
229.08467	0.2
231.08041	0.5
232.08839	0.2
233.05998	0.4
233.09576	0.8
234.06712	1.1
234.10268	0.7
235.07541	1.1
235.11147	2.8
236.08276	0.3
236.11827	0.6
237.05489	0.3
237.09081	4.0
237.12646	0.3
238.06316	0.7
238.09877	0.8
239.07051	1.1
239.10690	0.7
240.07808	0.9
241.04942	1.0
241.08531	0.4
241.12119	0.2
242.05728	0.4
243.06506	0.5
245.09621	0.3
246.10422	0.2
247.07602	1.6
248.08321	3.3
249.09113	5.1
249.11835	0.2
250.06322	0.7
250.09827	1.0
251.06985	1.2
251.10672	2.3
252.07901	0.3
252.11469	2.0
252.13914	0.2
253.08578	1.1
253.12172	0.7
254.05734	0.2
254.06966	0.1
254.09383	1.2
255.06456	0.5
255.10123	0.5
256.07285	1.7
257.04788	0.1
257.07935	0.6
258.08722	0.3
259.05734	0.2
261.09143	1.3
262.06668	0.2
262.09872	1.2
263.07220	0.7
263.10645	6.6
264.07858	0.6
264.11401	2.3
265.08591	9.0
265.12082	1.1
266.06042	0.3
266.09338	1.9
266.12881	0.5
267.06580	0.6
267.10120	0.8
267.13785	1.7
268.07224	0.3
269.04538	0.3
269.08029	0.2
269.11746	0.7
270.05026	0.2
270.08917	0.2
271.06802	0.2
271.09604	1.3
271.12646	0.2
272.06824	0.3
272.10175	0.2
276.07828	0.6
277.08591	9.9
277.11807	0.5
278.09271	2.1
279.06622	0.6
279.10172	3.3
279.13303	0.3
280.07516	0.3
280.10919	8.0
281.08148	0.5
281.11612	3.2
282.08887	2.2
282.12036	0.2
283.06039	0.2
283.09540	0.4
284.06848	1.0
284.09686	0.2
285.07556	1.0
285.10846	0.2
286.08606	0.2
287.05832	0.2
287.09201	0.4
291.10086	2.2
292.07516	0.2
292.10837	1.7
293.08060	3.2
293.11697	2.3
294.08817	2.2
294.12479	1.4
295.09677	1.1
295.13229	8.6
296.13867	1.2
297.07721	0.2
297.11136	2.4
297.14444	0.2
298.11902	0.3
299.09174	1.6
300.09930	0.7
303.08676	0.1
307.09644	0.9
308.10486	1.8
308.13943	0.2
309.11197	8.8
310.08371	0.4
310.11823	0.8
311.09171	0.4
311.12531	0.2
312.13388	0.6
313.10608	0.5
313.14075	0.2
317.10196	0.5
322.11859	0.3
323.12753	8.3
324.13504	6.8
325.10669	3.3
325.14276	1.5
326.11404	0.3
326.14655	0.2
327.12314	0.2
327.15833	1.0
331.11661	0.3
340.13077	2.7
341.13611	0.7
345.13168	0.3
355.15375	100.0
356.15952	14.1
356.20703	0.2
357.16571	0.4
372.15640	0.4
387.18005	3.4
388.18018	0.2
400.16547	0.2
504.32407	0.1
559.23425	2.2
559.43494	0.4
560.23804	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21245	1.4
53.03941	10.8
55.01874	23.1
55.05512	61.1
55.15540	1.3
57.03443	13.8
57.07077	2.5
59.04998	3.0
60.05650	7.7
65.03926	8.4
67.05505	83.8
69.03429	5.5
69.07066	39.8
69.07416	2.8
70.23207	4.5
71.04993	11.4
79.05493	93.9
80.05816	2.7
81.03419	80.4
81.07056	90.3
82.07398	1.6
82.70524	1.5
83.00718	1.5
83.04984	24.7
83.08619	45.2
84.08913	1.6
85.02905	23.4
85.06544	3.4
86.78706	1.4
91.05480	98.4
92.05819	1.9
93.07047	62.9
95.01380	2.2
95.04966	52.2
95.08605	48.0
96.05270	1.8
97.02927	4.2
97.06543	17.6
97.10165	20.7
98.22637	1.6
99.08121	2.2
103.05492	4.5
105.04539	3.0
105.07030	89.0
107.04952	25.2
107.08598	61.8
109.06519	12.2
109.10156	20.9
111.04456	7.1
111.08054	13.8
113.06015	2.6
113.09667	4.0
115.05475	5.5
117.07023	25.1
119.04926	2.3
119.06086	1.6
119.08583	62.4
120.08942	2.3
121.06531	9.9
121.10149	26.7
123.08046	7.6
123.11732	8.2
125.06056	1.6
125.09629	13.5
128.06256	4.9
129.07004	26.0
129.61310	1.4
130.07797	3.5
131.08566	49.8
133.06497	7.3
133.10124	44.8
135.08031	10.1
135.11674	13.1
137.09662	5.5
141.07005	5.2
142.07784	6.9
143.08554	13.8
144.09343	2.8
145.06500	5.2
145.10123	41.4
146.10590	1.6
147.08044	8.9
147.11688	38.3
149.09622	33.3
149.13297	4.2
151.11188	6.2
152.79997	1.3
153.07050	1.6
153.09108	2.0
153.12761	2.1
155.08539	9.8
157.10126	26.2
159.05019	1.5
159.08093	4.8
159.11697	22.0
161.09665	4.8
161.13290	8.9
163.11160	18.9
163.14891	1.8
165.12799	5.5
167.08554	2.6
168.09357	2.2
169.10110	9.1
171.08032	1.5
171.10335	2.8
171.11755	9.9
173.09607	6.9
173.11850	3.2
173.13318	8.2
175.07657	1.4
175.11171	17.1
175.14861	2.4
177.12778	4.2
179.14313	9.2
181.10147	3.8
181.12335	2.0
182.10764	2.1
183.11685	7.6
185.09669	3.3
185.13295	6.2
187.11244	5.8
187.14871	2.9
189.11246	10.9
189.12688	3.0
191.14287	1.8
192.71680	1.5
193.12233	50.0
194.12744	2.0
194.24214	1.6
195.11787	5.0
197.09686	1.7
197.13336	6.7
199.11211	2.0
199.14832	4.1
205.12335	3.9
207.11700	1.8
207.13911	1.5
209.13397	2.8
211.11278	3.4
211.13260	40.3
213.16582	2.0
217.15788	2.3
219.13797	2.2
223.13176	11.6
227.12703	9.1
229.19586	4.1
236.11397	1.9
239.18054	5.8
247.20691	3.2
249.14760	2.0
252.64799	1.7
257.19016	24.0
267.15851	20.8
267.56345	1.6
268.16406	1.6
273.18460	1.8
275.20065	81.0
276.20486	5.0
278.05307	1.5
285.16913	4.4
291.19714	2.7
293.21179	9.1
295.20386	1.9
297.22119	3.5
299.20044	4.2
313.21738	3.9
315.23227	4.3
317.21112	3.9
331.22659	5.3
349.23718	16.2
373.23447	2.1
410.45306	1.6
431.29077	6.2
433.26007	4.3
449.30313	8.7
450.31296	1.5
467.31329	7.1
485.32544	4.4
523.34265	5.7
541.35193	38.8
542.35114	3.2
559.36316	100.0
560.36743	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.0
53.03943	5.5
55.01876	13.0
55.05512	54.3
57.03436	11.0
57.07065	3.7
59.04995	3.4
65.03950	2.8
67.05507	60.2
69.03444	4.3
69.07069	21.9
71.05000	5.3
71.31540	2.3
79.05495	61.3
81.03421	18.9
81.07059	57.2
83.01354	2.5
83.04976	15.9
83.08617	29.7
83.95029	1.5
85.02927	3.6
85.06513	3.9
86.09701	8.6
87.10040	2.4
91.05482	62.0
92.05893	1.8
93.07043	52.1
95.04965	14.6
95.08600	31.5
97.06538	8.7
97.10172	35.1
99.08119	2.3
101.09647	1.8
101.98373	1.5
103.05492	5.6
104.38770	1.5
105.04627	2.1
105.07032	58.9
106.07355	1.7
107.04943	9.0
107.08590	35.0
108.08925	2.5
109.06541	6.5
109.10150	15.8
111.04446	4.0
111.08087	6.6
115.05460	3.7
117.07015	31.0
119.08581	44.3
121.06538	3.9
121.10152	16.5
123.08081	6.9
123.11687	3.2
125.06059	1.6
125.09618	29.6
128.06252	6.2
129.06993	20.0
129.07729	1.8
130.07776	1.9
131.04947	3.1
131.08560	43.0
131.09477	2.7
131.40503	1.8
133.06509	3.6
133.10120	32.0
135.08095	6.4
135.11667	15.3
137.09618	2.0
141.07019	5.2
142.06824	1.6
142.07849	6.5
143.08563	23.0
145.06474	3.9
145.10124	35.5
147.08095	5.3
147.11670	31.7
149.09630	3.5
149.13277	5.0
151.11197	2.0
153.07076	1.8
153.09151	2.8
153.12764	4.1
154.07855	2.1
155.08577	9.5
156.09418	3.6
157.10114	20.2
159.08038	1.8
159.11684	30.3
161.09654	3.9
161.13229	12.3
162.95630	6.6
163.11192	15.2
165.06956	2.0
167.08536	3.5
169.10156	11.2
171.08086	3.1
171.10291	3.0
171.11658	20.3
173.09662	5.6
173.13222	18.3
175.11223	5.1
175.14853	6.3
179.08525	2.8
179.14340	3.0
181.10208	6.8
181.12234	4.1
183.11668	9.0
185.09639	5.0
185.13258	16.4
187.11234	3.3
187.14847	6.5
189.11269	18.3
189.12700	2.6
193.10229	2.4
193.12262	4.5
195.07980	2.2
195.11777	5.8
197.09540	2.5
197.13319	7.4
199.14830	7.7
200.15195	1.8
201.12767	2.1
201.16400	2.0
207.11653	1.9
209.11671	5.1
209.13377	5.1
211.11299	2.1
211.13116	3.1
211.14896	4.8
213.12749	1.9
213.16444	6.1
215.14328	2.0
215.17990	2.8
221.13260	2.1
223.14844	4.7
225.12895	2.3
225.16408	2.6
227.12740	34.5
227.14723	2.8
231.17474	1.9
231.21097	2.1
235.14911	3.1
237.16451	3.0
239.14357	1.9
239.18056	2.6
241.19484	9.0
245.13789	2.4
257.19077	8.8
259.20590	21.3
267.15909	3.4
269.22650	2.4
275.20056	14.7
283.15396	17.0
285.22263	4.3
287.23657	2.2
295.20642	2.3
297.10941	2.2
297.22125	19.2
299.20142	1.8
313.10605	1.8
313.21738	3.6
315.23215	22.0
316.23740	1.9
325.10773	3.7
327.08499	1.9
327.23129	2.6
331.22873	3.5
333.24231	11.8
340.13177	7.0
342.11108	3.1
349.23877	2.6
351.23047	2.1
369.24323	1.9
371.14771	10.4
371.26056	2.3
373.12668	3.1
385.16830	3.6
403.30206	1.8
415.17432	10.8
421.30920	5.4
431.29587	7.9
431.38306	2.0
437.15573	9.8
439.32156	4.3
449.30472	21.2
467.31442	16.6
485.32703	19.0
486.33133	2.2
500.22516	5.8
513.35632	8.8
515.33447	2.2
523.34351	11.0
524.34534	2.1
531.36725	3.3
541.35229	100.0
542.35608	10.6
559.18945	3.0
559.36328	56.7
560.36530	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.0
53.03944	8.6
55.01871	24.1
55.05240	1.7
55.05509	33.1
57.03434	9.2
57.07088	1.8
59.04995	1.4
65.03927	6.3
67.05503	61.9
69.03427	3.8
69.07070	41.0
69.11027	8.1
71.05000	8.1
71.08627	1.1
73.06540	1.1
74.07489	1.2
77.03912	2.3
79.05492	60.9
81.02924	1.3
81.03071	0.9
81.03416	49.1
81.07055	75.0
82.07390	2.4
83.04980	17.7
83.08620	20.2
85.02901	17.3
85.06545	5.0
91.05476	92.2
92.05817	1.9
93.07040	51.7
95.01320	12.6
95.04968	31.0
95.05556	2.2
95.08599	44.2
97.02898	2.6
97.06528	37.9
97.10170	8.9
99.08083	2.4
103.05477	4.7
105.04533	1.8
105.07027	93.4
106.07352	2.6
107.04949	27.5
107.08593	29.1
107.09283	1.9
109.06526	7.7
109.10152	13.3
111.04443	4.0
111.08078	9.3
113.06036	3.1
113.09682	1.3
115.05464	4.7
116.06264	1.2
117.07007	22.3
119.04910	1.6
119.08575	51.7
121.06510	6.2
121.10125	13.6
123.04427	2.2
123.08073	6.8
123.11716	4.7
125.09629	5.2
128.06226	2.8
129.06999	14.6
130.07800	1.3
131.08569	37.9
133.06491	3.0
133.10126	50.4
134.10501	2.3
135.08034	6.1
135.11664	6.7
137.09625	5.8
139.07555	1.6
141.07021	3.8
142.07800	3.7
143.08563	7.3
144.09282	1.4
145.06506	3.4
145.10110	26.4
147.08032	5.4
147.11673	28.1
147.12740	2.0
147.22282	1.1
149.09615	14.3
149.13197	6.0
151.11203	2.6
153.09131	1.6
155.08589	4.3
157.10118	14.8
159.08099	1.9
159.11687	17.1
161.13220	7.2
163.11169	7.9
165.09129	2.6
165.12787	3.3
167.08595	1.2
169.10153	4.8
171.11690	5.2
173.13202	8.0
175.11227	7.2
177.12708	7.5
179.14304	22.1
181.10121	1.5
183.11717	3.6
185.13266	1.9
187.11221	4.0
187.14894	1.5
189.11224	2.1
193.12234	24.1
195.11595	1.5
195.13857	2.1
197.13312	4.0
201.12799	1.3
205.12267	2.5
205.15768	1.4
207.24983	1.1
211.13255	22.7
215.18005	1.2
219.13806	2.3
219.17499	3.7
223.13268	2.0
227.12791	2.2
229.19655	2.4
239.18015	2.6
241.14259	2.1
247.20633	4.0
257.19003	10.7
267.15900	18.1
273.18384	1.8
274.40875	1.2
275.20047	100.0
276.20483	4.9
279.15955	3.3
285.47107	1.1
293.21152	8.0
299.20111	2.7
313.21732	1.2
331.22723	2.1
349.23737	11.7
449.30588	3.2
467.31961	2.9
541.35187	21.9
542.35663	1.5
559.36316	49.2
560.36707	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	12.6
55.01868	4.0
55.05508	29.4
57.03429	10.2
62.72455	3.2
65.03931	5.0
67.05506	100.0
69.07072	20.3
71.31921	5.5
72.28675	2.8
78.09894	3.7
79.05494	97.4
81.03416	6.6
81.07057	85.1
83.04977	14.7
83.08620	10.1
85.06551	4.8
91.05477	79.4
92.05868	3.2
93.07048	83.3
95.04976	24.1
95.08609	44.2
97.06534	7.8
97.10140	7.5
99.08091	4.0
105.04494	6.8
105.07024	61.8
107.04925	10.2
107.08589	42.9
109.06498	5.9
109.10159	18.7
112.10639	3.1
116.60315	3.2
117.07028	14.1
119.08578	31.8
121.06541	4.4
121.10158	19.3
123.11655	4.2
126.18462	3.4
128.06223	4.7
129.07025	19.0
131.08556	15.7
133.10115	13.1
135.11685	13.9
143.08556	11.6
145.10060	16.4
147.11681	50.7
149.13272	4.6
156.09361	4.1
159.11702	11.7
161.13223	13.9
164.01207	3.3
171.11650	34.3
173.13312	4.7
175.14848	3.9
181.03221	4.1
187.14778	4.9
189.12769	12.6
207.13791	30.9
261.22125	14.3
281.17465	49.0
281.94583	3.6
335.25775	52.5
336.26221	4.1
390.39059	3.7
485.36035	4.0
501.35464	3.6
541.38837	63.2
542.39087	8.8
559.39984	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23072	0.6
55.01873	0.9
55.05509	1.4
61.22225	0.7
62.12884	0.6
65.03924	1.1
67.05499	1.6
69.03403	3.1
69.72578	3.5
83.04980	9.5
85.02886	0.9
89.03908	8.4
91.05463	1.4
93.03391	1.7
95.01314	2.6
95.04935	1.7
97.02862	1.9
98.23286	1.0
99.13819	0.7
100.03804	0.7
103.05442	3.2
109.10172	1.8
111.04443	4.1
117.03379	18.7
120.08035	0.8
120.91711	0.7
121.02859	4.7
123.04446	0.7
128.96982	0.8
129.05453	1.7
131.04906	4.5
134.03590	1.6
135.04414	1.5
137.05986	1.6
137.09572	2.0
139.03915	3.9
143.04991	0.8
145.02838	51.4
146.03333	1.0
146.79706	0.7
147.04353	0.7
147.06554	1.4
149.05980	6.7
151.03944	1.3
152.64963	0.7
153.06999	2.5
155.08522	0.9
155.10640	1.3
157.04977	2.1
159.04456	1.5
162.03062	2.3
163.07524	4.0
165.06993	3.8
165.09070	1.9
167.04945	1.0
167.08441	0.7
169.06483	1.2
171.04431	0.9
174.03072	0.8
175.07492	1.7
177.05458	100.0
178.05786	2.3
179.03406	8.2
181.06482	7.8
183.08020	0.9
183.10316	0.8
187.07584	1.1
189.05466	14.7
191.05417	1.1
191.07005	6.4
193.06712	2.6
197.06046	0.8
198.06685	1.3
199.07434	1.4
201.05566	0.9
201.11215	2.6
202.15190	0.7
203.07018	4.5
209.05989	3.4
210.06709	2.3
211.07513	1.5
212.04663	1.5
213.09055	3.0
214.06290	0.9
215.06912	1.2
217.08597	1.0
219.06516	5.5
219.12257	1.1
221.05971	0.9
225.09096	4.8
226.06183	2.8
227.06990	4.3
229.04903	2.9
229.08615	1.9
231.06581	2.7
236.04736	1.8
237.05431	2.9
238.06274	1.1
241.08560	8.3
243.06444	1.2
245.08099	1.6
247.03955	1.8
251.07050	3.3
253.08546	7.5
254.05663	1.8
255.06511	2.2
265.04965	2.2
269.08060	11.6
279.06531	7.4
287.09052	4.4
297.07556	21.3
298.07941	1.7
305.10178	2.6
315.08585	14.7
333.09680	20.4
348.64987	0.9
351.10602	3.9
363.16785	0.8
461.14084	1.0
489.13968	1.5
507.15021	8.1
525.16003	21.2
526.15863	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.6
57.92061	0.8
66.79900	1.1
67.05499	2.7
69.03440	4.9
69.07059	1.4
70.42648	0.9
71.04985	0.9
79.05492	2.4
81.03373	0.9
81.07066	8.5
83.04976	3.3
91.05492	4.0
93.07056	2.6
95.04947	2.7
95.08607	3.7
105.07037	3.3
107.05013	1.2
107.08605	2.5
109.06511	4.6
111.08064	2.9
114.45866	1.0
117.07005	2.5
119.08598	2.0
121.02872	1.8
121.06515	2.1
123.04472	1.5
123.08050	5.3
129.06976	1.1
131.08525	2.1
133.06488	1.8
133.10149	1.8
135.08040	2.3
137.05969	11.5
139.07544	6.3
141.06966	1.2
143.08546	2.1
145.06491	3.0
145.10117	2.3
147.08083	2.4
147.86520	0.9
151.07510	1.6
155.08577	2.7
157.10086	2.5
159.08102	3.0
159.11734	1.6
161.09642	3.3
167.07141	1.1
167.08572	2.1
167.79373	1.1
169.06578	1.1
169.10162	2.7
171.08046	2.8
171.11597	1.2
173.09645	2.5
175.11046	1.4
178.07774	1.6
179.08563	1.7
180.09370	1.1
181.06422	1.4
181.10114	2.5
182.10867	1.3
183.08081	1.9
183.11598	1.9
185.09631	2.7
187.07558	1.3
187.11165	2.3
189.09109	2.6
193.10159	2.5
195.08034	1.7
195.11719	2.4
196.08763	1.3
197.09599	1.8
199.07581	1.7
199.11191	1.7
201.08980	1.2
201.12752	2.1
203.10701	1.3
205.10066	1.4
207.08028	1.2
207.11807	1.2
209.09608	4.2
209.13092	1.0
211.11159	1.8
213.09100	2.0
213.12685	1.6
215.10655	1.6
219.07990	1.3
219.11790	1.5
220.08809	0.9
220.12260	1.1
221.09590	1.7
221.13332	2.1
222.10309	1.3
223.11176	2.3
223.14761	1.1
225.09151	2.2
225.12779	1.6
227.10715	2.2
231.11696	1.7
232.12411	1.1
233.09712	1.5
233.13351	2.1
234.10419	1.4
235.11108	2.9
237.09065	2.0
237.12793	2.6
238.13338	1.2
239.10664	1.5
239.14290	1.3
241.08424	1.4
247.11128	2.4
247.14761	1.2
248.08308	1.2
248.11874	0.9
249.12769	2.6
251.10620	1.7
251.14262	2.5
253.08664	1.6
253.12335	1.2
255.10117	1.2
257.13263	1.1
259.11188	1.6
260.12024	1.3
261.12695	2.7
263.10583	2.1
263.14462	1.6
265.12274	2.8
265.16003	1.1
267.13968	1.3
271.11115	1.7
273.12732	1.1
274.13205	1.2
275.10867	1.2
275.14212	1.9
276.11108	1.0
277.15768	1.3
279.13663	1.3
281.15204	1.1
285.12738	1.4
287.10757	1.2
287.14270	1.5
289.15881	1.1
291.13745	1.6
291.17239	1.2
293.15292	1.4
300.14645	0.9
303.13837	1.7
305.15302	1.8
307.16745	1.2
315.17477	1.4
317.11963	1.1
317.15372	2.6
319.16977	4.1
323.12875	1.2
329.15167	1.2
333.18738	1.2
335.16223	2.0
343.16852	1.4
345.14874	2.9
347.16473	1.8
355.12036	1.3
359.16409	1.5
360.16470	1.2
361.17978	4.3
363.15814	2.0
377.17337	1.4
379.18811	1.5
387.15628	1.2
389.17334	2.9
391.15430	1.9
395.14603	1.4
395.19043	1.3
404.19479	1.6
405.16916	4.2
407.18533	11.3
408.18918	1.5
419.22070	2.9
422.20361	2.0
423.17960	3.5
429.15292	2.8
433.16293	6.5
435.21765	1.8
451.16431	4.4
461.19513	2.3
463.21259	5.8
464.21695	1.3
469.18561	100.0
470.18988	8.6
476.66800	1.2
479.20926	1.8
479.27795	1.6
481.22281	4.9
482.22672	1.6
493.22144	1.1
497.21619	8.8
499.23264	30.6
500.23648	2.8
507.20248	3.3
525.21234	32.7
526.21454	2.6
543.21973	3.5
560.28174	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.0
55.05505	5.0
65.03944	2.8
67.05505	2.8
69.03442	7.1
69.13483	7.4
69.13896	4.5
79.05449	1.9
81.07054	4.3
83.04955	1.5
85.02866	1.8
91.05500	5.3
93.07047	5.3
95.08612	3.3
95.88736	1.4
97.06549	2.2
99.04434	2.6
105.07034	6.3
107.08604	5.9
109.06525	4.7
111.04416	2.2
111.08098	5.3
117.06994	3.6
118.95338	1.5
119.04951	1.6
119.08595	4.2
119.09456	1.5
121.02878	18.0
121.06533	4.9
121.10177	3.4
123.04409	2.1
123.08100	3.7
128.06261	3.1
129.07030	5.6
129.75066	1.3
131.08594	7.2
133.06487	2.8
133.10121	2.9
135.08080	3.6
137.02333	10.6
137.05989	5.7
139.07553	4.0
141.07010	3.6
142.07761	2.3
143.08582	7.9
145.06487	3.7
145.10121	8.9
147.04390	3.2
147.08008	1.9
147.11679	3.2
149.06018	2.3
149.09572	1.9
153.07028	1.8
155.08546	5.7
156.09373	2.1
157.06516	3.0
157.10117	8.4
159.06871	1.8
159.08095	6.2
159.11668	2.4
161.09605	12.1
163.07530	1.9
163.11211	5.0
165.05510	1.6
165.06898	1.4
166.07748	1.6
167.08595	3.5
168.09305	1.9
169.10089	10.5
171.08057	5.9
171.11671	4.4
173.09631	8.3
175.07521	4.0
179.08505	3.2
181.06544	2.6
181.10196	4.9
182.10957	1.5
183.08067	5.5
183.11624	3.5
184.08884	2.3
185.09625	6.7
187.07581	2.1
187.11166	3.5
189.09102	12.3
191.10638	2.4
193.10201	2.5
195.08072	4.8
195.11861	1.9
197.09633	10.9
199.07600	4.6
199.11223	5.6
201.09143	6.5
201.12732	1.7
203.10709	4.1
205.08554	2.8
207.08289	1.6
207.11772	1.9
209.09599	6.2
210.10327	1.6
210.53702	1.6
211.07559	4.1
211.11194	3.7
212.08231	2.1
213.09105	4.1
215.10715	6.8
217.08632	6.9
217.12204	4.5
219.10074	2.3
223.07559	2.1
223.11142	3.0
225.09087	7.3
225.12761	2.4
227.07097	2.5
227.10693	4.5
231.11761	1.8
235.11287	2.8
237.12784	2.9
239.06836	1.7
239.10635	2.2
243.10117	6.8
245.08112	3.1
249.12909	2.9
251.10643	2.2
253.08636	2.6
253.12279	2.5
255.10185	2.7
261.10913	2.6
263.08887	2.8
267.10236	2.0
267.13846	1.8
271.09552	2.0
271.14435	1.8
277.12299	4.8
281.11807	2.0
287.10721	1.7
289.15863	2.2
293.15866	1.8
295.13303	1.7
303.13858	2.0
317.15448	2.3
327.12994	1.7
331.16797	1.8
341.14615	1.8
359.16205	2.9
375.19559	1.8
377.17542	2.5
379.19159	1.9
383.15045	3.2
387.15848	2.3
399.19653	2.8
403.18982	2.3
405.16681	3.9
411.14148	11.3
415.19183	2.0
423.17960	4.4
429.15430	61.0
430.15799	5.0
433.20569	3.4
435.21762	4.3
443.18488	1.7
445.19937	1.9
447.17587	1.7
451.17578	6.3
453.22897	7.4
457.18469	1.8
461.19864	9.1
461.25949	3.0
463.21017	11.6
469.18130	7.1
471.18015	2.9
479.20605	16.3
481.22208	25.4
482.22861	2.8
489.18991	10.9
495.20029	6.7
497.21649	11.0
499.23123	2.8
507.20050	37.0
508.20468	3.3
525.21198	100.0
526.21643	13.2
543.22180	41.9
544.22424	5.9
560.24878	11.6
561.23297	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.2
57.02457	0.8
57.03443	2.6
63.92769	0.9
69.03434	2.4
70.19287	1.3
70.19626	1.9
79.05486	2.4
81.07058	3.1
83.04993	1.0
91.05470	3.2
93.07030	3.1
95.04935	2.5
95.08628	1.3
97.06488	1.3
105.07031	4.2
107.04936	1.3
107.08592	3.8
109.06520	4.8
111.08062	1.6
117.06990	4.0
119.04900	1.5
119.08576	3.5
121.06513	3.4
123.04451	1.4
123.08058	3.5
129.06989	2.8
131.08562	3.4
133.06480	2.4
133.10147	2.3
135.08064	3.3
137.05977	3.5
137.09608	1.1
142.07693	1.2
143.08546	4.6
145.06511	2.5
145.10124	3.7
147.08034	3.6
147.11670	2.0
149.09570	1.6
151.07570	2.3
155.06985	1.8
155.08627	2.4
157.10135	3.6
159.08025	3.0
159.11720	1.1
161.05943	1.2
161.09596	4.0
163.07501	1.3
163.11221	1.7
167.08464	1.1
169.10176	1.6
170.07295	1.4
171.08055	3.0
173.09622	4.0
175.07611	2.6
175.11230	2.4
177.08963	1.4
181.10051	1.3
183.07956	1.5
183.11726	1.2
185.09641	3.5
187.07590	1.0
187.11234	1.4
189.09143	3.8
191.10698	1.5
195.11583	1.0
197.09612	3.0
199.11183	1.5
201.09106	2.3
201.12895	1.1
203.10658	2.8
205.12279	1.3
209.09631	1.2
211.07454	1.0
211.11157	1.9
213.09056	1.7
215.10570	1.3
225.12749	1.1
227.10715	1.1
229.12300	1.3
235.11183	1.1
237.12779	1.9
251.14325	1.2
253.12108	1.2
255.13951	1.3
267.13672	1.1
293.15262	1.7
303.13647	1.0
321.14877	1.4
321.18414	1.3
335.16272	1.2
336.48880	1.0
363.15540	1.4
365.17181	1.3
391.18918	1.3
409.16122	9.0
419.18564	1.3
437.19583	37.7
438.19971	3.8
439.21167	14.5
447.17450	1.0
453.22794	1.0
465.18832	3.4
469.18671	9.5
483.20065	9.5
484.20779	2.0
497.21753	29.4
498.22037	1.6
499.23236	49.7
500.23648	5.0
525.21173	100.0
526.21484	9.7
543.22083	5.2
557.20868	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13196	1.2
53.03946	1.6
55.01868	3.8
55.05510	3.9
57.03438	2.8
58.21603	1.2
59.05464	1.2
63.41386	1.2
67.05510	3.0
69.03431	5.2
69.07066	3.3
69.39754	2.5
69.40165	4.2
71.04993	2.2
79.05499	5.5
81.03432	2.8
81.07059	14.5
83.04991	4.1
83.08619	1.4
85.02911	2.7
91.05488	8.6
93.07039	5.0
95.02288	1.3
95.04997	3.1
95.08620	4.7
97.02930	1.6
97.06498	2.0
98.90989	1.2
99.04474	1.6
103.05368	1.3
105.07034	6.0
107.08585	3.7
109.06523	5.3
109.10150	2.7
111.08079	5.5
117.06999	3.7
119.04980	1.7
119.08595	6.0
121.06521	3.9
121.10154	3.0
123.08067	17.5
126.07474	1.2
128.06264	2.0
129.07021	2.8
131.08597	5.2
133.06471	2.0
133.10126	2.6
135.08072	5.2
135.11736	1.4
137.05983	10.7
139.07561	6.8
139.11240	1.3
141.06963	3.0
143.08588	4.8
145.06522	1.5
145.10158	4.4
147.08046	3.3
147.11728	2.0
148.52357	1.4
149.09651	3.5
151.07527	1.9
154.07608	1.3
155.08568	4.4
157.06508	1.4
157.10123	4.0
159.08104	3.5
159.11754	3.4
161.09621	5.1
163.07549	1.3
165.07011	1.8
166.07901	1.3
167.08646	2.5
168.09422	2.7
169.10168	4.1
170.10799	1.4
171.08000	3.5
171.11708	1.8
173.09659	5.0
173.13213	1.5
175.07582	4.1
175.11205	2.9
179.08574	2.7
181.10127	3.1
183.08096	2.2
183.11740	6.3
185.06006	1.3
185.09595	4.4
187.11176	3.0
189.09148	3.4
191.10733	1.9
193.10176	2.7
195.08041	2.5
195.11703	3.0
197.09615	4.7
197.13321	1.5
199.11234	3.0
201.09114	2.3
201.12682	6.3
203.10696	2.1
207.11736	3.1
209.09682	3.8
209.13254	2.3
210.10347	1.4
211.07584	2.2
211.11229	3.9
213.09108	3.3
215.10779	1.8
219.55263	1.4
221.09634	3.1
221.13319	3.2
223.11151	2.8
225.09105	3.7
225.12733	1.5
227.10699	3.5
229.12263	2.3
232.12283	1.6
233.09647	1.4
233.13214	3.0
235.11185	4.5
237.09145	1.7
237.12634	3.3
239.10721	2.8
241.08588	1.8
241.12308	2.2
245.13428	2.2
246.10028	1.3
247.11220	2.4
247.14790	1.7
248.12234	1.6
249.09175	2.0
249.12790	2.6
249.16164	1.4
251.10724	1.4
251.14229	2.9
252.11662	1.3
255.10271	1.7
259.11234	2.5
259.14807	1.8
261.12683	4.6
263.10608	2.4
263.14478	1.5
265.12119	1.5
275.14474	2.5
277.12195	1.7
277.15924	2.6
279.13770	2.8
281.11557	1.7
281.15347	2.1
286.13586	1.8
289.12317	2.4
289.15628	1.3
291.13959	2.0
291.17310	1.4
293.15213	1.8
301.15784	2.2
303.13745	1.7
303.17276	1.4
305.15503	3.0
317.11295	1.9
319.16916	5.1
321.14874	1.8
323.16388	1.6
329.15329	1.4
331.13464	1.6
333.18384	1.6
337.17709	1.6
345.14481	1.7
347.16446	4.4
349.14200	1.6
357.18567	1.6
361.17935	2.6
363.15790	2.2
375.19534	2.6
377.21219	1.7
379.18976	2.0
389.17166	2.5
391.15283	2.2
403.19522	1.6
407.18262	11.0
417.20572	6.1
419.22266	3.6
435.21613	10.8
437.23428	12.0
445.19742	2.2
447.18109	1.5
451.16986	2.3
453.22775	2.1
461.19662	4.4
461.26248	2.0
463.21136	11.8
469.18268	7.0
479.20419	3.9
481.22125	24.1
482.22302	2.8
497.21729	38.5
498.22211	5.9
499.23294	81.9
500.23471	10.4
507.20068	7.2
525.21185	100.0
526.21460	10.1
543.21973	17.4
544.22290	2.1
560.24377	2.4
561.26019	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.6
55.05516	2.6
65.03941	3.7
67.05502	3.6
69.03421	13.0
69.04547	5.2
69.04950	9.2
69.07066	2.0
71.04969	2.2
79.05503	4.0
81.03419	2.1
81.07079	3.5
83.04980	3.9
91.05489	6.4
93.07047	5.5
95.04945	1.6
95.08598	3.7
98.22624	3.0
99.04498	1.7
99.15608	1.5
105.07032	4.5
106.04742	1.6
107.04990	1.6
107.08607	4.1
109.06535	5.5
111.04391	1.8
111.08083	9.0
119.08586	4.3
121.02866	26.2
121.03677	1.9
121.06550	3.5
121.10180	2.2
123.08066	2.4
129.06996	5.2
131.08595	6.3
133.06570	1.9
133.10114	5.4
135.08018	4.7
137.02335	10.4
137.05980	5.9
139.07533	3.9
141.07001	2.6
142.07762	3.2
143.08571	9.1
145.06517	4.6
145.10136	7.7
147.04417	3.4
147.08002	2.8
149.05994	2.1
149.09587	3.3
154.07881	1.9
155.08563	5.0
156.09293	2.3
157.06532	3.3
157.10149	10.9
158.07286	1.8
159.08086	3.4
159.11702	4.0
161.09657	6.5
163.11156	1.6
166.07936	2.6
167.08565	3.0
169.06514	1.9
169.10162	5.7
171.08060	6.9
171.11679	4.9
173.06012	1.8
173.09625	9.3
175.07509	3.1
175.11232	2.5
179.08611	3.0
181.06560	2.6
181.10136	2.9
183.08086	5.3
183.11658	2.1
184.08867	2.1
185.09526	8.7
187.07544	2.8
187.11243	2.6
189.09155	6.0
191.10698	2.8
193.10207	2.3
195.08186	2.6
195.11761	2.3
197.09560	10.9
199.07584	6.0
199.11215	6.7
201.09134	8.9
203.07033	2.6
203.10626	2.5
205.12256	1.8
207.10078	2.4
207.11813	3.0
209.09604	6.5
209.13390	1.6
211.07542	4.5
211.11227	2.6
213.09116	3.9
215.10722	5.7
217.08620	7.1
217.12279	5.9
219.10088	2.6
221.13289	2.3
223.11264	1.7
225.09140	8.4
225.12753	2.1
227.10681	2.6
235.11206	2.8
237.09070	3.6
239.10709	2.5
243.10199	7.0
245.08112	4.1
246.13927	1.6
249.12764	2.0
251.10730	2.0
251.14513	2.7
253.08556	2.2
261.11276	3.1
274.13333	1.7
277.12289	2.5
279.13589	1.9
295.13260	2.5
303.17316	2.9
305.11914	2.3
317.15524	2.6
359.16232	3.3
371.20169	2.6
383.14960	3.2
387.19431	2.0
397.18796	1.9
399.19424	1.9
405.20749	1.9
407.17813	2.1
411.14325	11.7
415.18936	4.4
417.20612	5.2
418.21228	2.3
423.17670	2.9
429.15439	70.3
430.15881	7.6
433.20361	4.0
435.21893	7.9
437.19174	2.3
439.17523	4.0
443.18469	3.3
445.20190	4.1
447.17010	2.2
451.21280	5.6
453.22784	9.7
457.18918	2.7
461.19623	11.4
463.21182	11.9
465.18918	3.1
479.20752	26.2
480.20627	3.4
481.22247	25.7
483.20056	3.0
489.18958	6.7
495.20145	9.0
497.21765	29.8
498.21591	2.2
499.23398	2.7
507.20120	37.6
508.20459	3.1
525.21204	100.0
526.21790	13.8
543.22253	46.5
543.45325	1.8
544.22412	4.5
560.24890	13.6
561.23950	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
54.47623	1.3
55.01866	2.6
55.05497	2.5
67.05503	16.3
69.03430	3.0
70.81657	3.2
71.04947	1.9
74.26614	1.5
77.23549	1.5
77.53311	1.3
79.05473	3.0
81.03436	2.3
81.07056	15.8
85.02906	11.1
91.05499	2.4
91.66135	1.4
92.27356	1.4
93.07048	4.3
95.04967	6.8
95.08616	10.6
95.49573	1.6
97.02892	4.9
97.06551	2.6
99.04443	2.1
99.08102	3.3
107.04970	5.2
109.02847	3.7
109.10154	81.8
111.04456	5.0
119.04946	4.2
119.08592	5.3
121.02884	4.2
121.06521	3.4
121.10164	4.0
123.04435	22.5
125.05991	6.9
127.03934	3.1
127.07536	11.0
131.04922	1.7
133.06506	1.6
135.04422	4.9
136.51869	1.4
137.06090	2.0
137.09610	69.5
139.03903	5.2
145.05008	1.3
145.06490	1.9
147.04428	5.9
147.08083	6.0
148.04767	1.5
149.02385	2.5
151.03850	1.6
155.07048	3.7
155.10658	34.1
159.04414	1.7
161.05966	3.0
163.03937	3.8
165.01883	2.0
165.09105	67.6
166.09459	2.4
167.07063	6.8
173.05991	2.8
177.01797	2.4
183.06592	7.6
183.10164	46.6
183.11742	2.9
189.01894	3.7
189.05521	1.6
191.03300	2.1
193.04944	1.5
195.02896	4.2
197.06102	1.8
201.05484	4.8
201.11212	100.0
202.11642	3.3
203.03415	4.2
207.02939	2.4
219.02864	4.0
219.08847	2.5
219.12273	47.8
225.99059	1.3
229.05003	5.6
231.02856	10.8
231.06464	1.8
243.02960	4.3
245.04486	3.7
249.03897	4.1
253.04996	2.2
255.02831	3.5
257.04337	3.2
259.02423	1.8
259.05954	1.7
261.04181	2.2
269.04532	2.9
271.06055	3.8
273.03970	5.4
275.05475	2.0
285.03995	13.0
287.05685	2.3
291.04843	2.5
297.04065	2.9
297.07605	3.9
299.05542	2.6
300.17181	1.6
309.03931	2.1
315.05020	2.5
323.05444	1.9
327.04971	10.1
345.05981	2.3
345.15494	3.4
351.08633	4.9
357.06113	2.9
363.06921	9.4
363.16519	3.1
387.01279	2.0
387.06906	2.0
393.09067	4.2
405.08261	9.1
409.09048	3.0
411.10486	2.1
423.09024	2.6
429.11661	6.3
441.10263	4.5
447.10519	4.0
459.10486	1.9
483.12784	3.5
495.12799	5.3
525.13947	3.0
543.14606	2.2
561.19104	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47437	1.2
55.05499	1.4
57.03440	1.9
67.05502	12.6
68.91135	1.5
69.03424	4.6
71.30370	2.1
74.89350	1.6
79.05506	2.2
81.03411	2.2
81.07049	12.2
81.58869	1.3
85.02903	8.2
91.05492	2.0
93.07046	3.7
95.04977	3.2
95.08619	7.5
97.02886	5.7
99.04462	1.5
99.08096	3.7
107.04958	2.1
107.08571	1.8
109.02893	2.6
109.10152	69.9
110.10529	2.9
111.04440	5.8
119.08598	4.9
121.02850	1.5
121.10149	4.8
123.04432	24.0
124.04731	2.3
125.05965	7.0
127.03934	2.6
131.04906	1.6
133.06506	1.6
135.04420	4.0
137.09608	57.7
138.09981	2.4
139.03905	6.2
140.04263	1.4
147.04411	4.5
147.08040	10.0
149.02324	1.5
155.10652	33.0
161.05916	2.1
163.03879	4.8
163.06160	1.5
163.07504	1.6
165.07719	3.1
165.09109	62.9
166.09413	2.6
183.10161	39.0
187.03752	1.4
189.01811	2.3
189.05513	1.8
191.03575	1.6
201.11218	100.0
202.11490	1.9
203.03323	1.8
219.12276	36.1
220.12543	2.2
229.04910	2.3
231.02750	4.1
243.02795	2.1
247.06053	1.6
257.04507	2.1
259.05853	1.8
261.03915	1.4
271.05905	2.4
272.06451	1.7
273.04050	2.2
275.05466	2.0
285.03885	2.3
287.05475	2.9
299.05719	3.2
327.05054	1.8
334.07712	1.7
345.15399	3.9
347.48975	1.6
351.08334	1.7
363.07156	2.1
363.16486	8.1
384.18594	1.5
392.08325	2.7
393.09491	1.9
405.09039	2.6
409.09164	5.4
410.09219	4.0
411.10074	1.6
421.08817	1.6
429.11514	1.9
434.09845	1.6
439.10303	1.6
483.12860	1.7
561.19104	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.6
57.03455	1.4
67.05507	14.1
69.03429	2.9
74.97169	1.5
79.05491	2.5
81.07060	14.3
85.02919	6.5
90.36591	1.3
91.05518	1.1
93.07070	3.0
94.96408	1.3
95.04977	3.1
95.08608	6.1
97.02928	1.9
99.04473	3.0
99.08127	2.3
107.04977	1.5
107.34174	1.4
109.10156	66.1
110.10507	2.0
111.04466	5.0
113.79765	1.3
119.08602	4.3
121.10166	3.4
123.04421	8.4
125.05983	6.2
127.03913	1.5
127.11298	1.4
137.09616	55.7
145.04958	2.4
147.08038	7.0
155.10674	32.2
163.03931	2.6
165.07726	2.9
165.09123	56.5
166.09477	2.0
183.10175	39.9
201.11232	100.0
202.11652	3.3
219.12277	38.7
219.14293	2.6
220.12723	2.7
265.15430	1.2
271.06210	1.2
287.05872	1.3
310.65149	1.2
497.33188	1.2
561.19098	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	5.4
56.85505	1.0
57.51977	1.0
59.05011	1.5
61.31219	1.1
67.05486	1.5
73.51788	1.1
80.44895	1.1
81.07062	1.2
83.04988	10.3
84.03669	1.2
86.98158	1.2
96.34551	1.1
98.23364	2.0
162.95505	1.3
164.95407	1.6
207.08051	1.1
223.07385	1.9
227.07066	2.2
235.07410	1.8
237.09114	1.7
239.07051	1.4
241.08551	2.8
249.09171	1.3
250.09839	1.8
251.10539	1.5
252.07884	1.3
253.08620	2.9
254.05687	2.3
254.09399	3.0
255.06541	2.5
255.10138	1.7
262.09882	2.7
263.07230	2.0
263.10510	1.5
265.08701	3.1
267.10220	6.2
268.07343	2.8
268.10867	1.8
269.08102	5.3
269.11591	1.9
270.09009	1.3
271.09497	1.6
277.08618	1.8
278.09396	3.5
279.06601	2.0
279.10095	1.8
280.10773	2.5
281.08142	2.9
281.11423	1.9
282.08865	3.9
282.12289	2.1
283.05939	1.3
283.09500	2.2
284.06842	4.6
284.09955	1.4
285.07611	3.3
285.11243	1.5
291.10150	2.5
292.10590	1.3
293.08560	1.9
293.11487	5.5
295.06659	1.5
295.09637	8.4
296.06842	1.9
296.10159	2.5
297.07510	5.6
297.11206	6.2
298.08243	3.3
299.09216	8.3
300.09943	3.3
301.10626	1.3
306.67212	1.3
307.09839	1.3
308.13965	3.6
309.07684	2.1
309.11221	5.7
310.08365	2.9
310.11969	5.1
311.09116	3.2
311.12735	5.6
312.09872	11.4
312.13449	2.8
313.10669	6.8
314.07651	1.5
314.11218	2.4
315.08722	2.4
315.12161	2.4
320.10648	1.4
321.11191	5.7
322.11710	1.4
323.12582	2.1
324.09863	2.5
325.10754	13.0
326.11484	7.0
327.08572	8.7
327.11987	1.9
328.09512	2.0
328.13083	3.9
329.10159	3.5
330.10742	1.3
331.11636	1.7
335.12723	2.4
336.13519	2.0
337.10495	1.8
339.12173	4.5
340.13052	35.4
341.10107	4.6
341.13721	10.7
342.10953	19.2
342.14688	1.5
343.08008	1.5
343.11761	20.2
343.15530	2.1
351.12320	7.7
352.12869	2.9
356.12610	6.6
357.13168	5.0
358.10327	3.1
365.13983	1.5
366.14600	20.3
367.11459	1.6
367.15463	14.2
368.15717	1.5
371.14890	68.2
372.15106	7.0
373.12903	16.8
382.14066	2.3
382.72122	1.2
383.14609	1.5
384.15640	5.1
385.16434	31.1
385.21420	1.7
386.16681	2.5
397.16440	24.8
415.17505	100.0
416.17920	10.6
438.15771	2.2
444.77286	1.2
456.93988	1.5
473.19836	1.4
497.21689	6.4
560.20190	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	26.4
59.52886	4.1
59.53174	4.0
79.05486	5.1
80.69579	3.3
81.07043	6.3
83.04982	37.2
91.05495	6.7
93.07066	5.7
95.08612	12.4
97.02892	3.3
107.08545	5.1
109.06536	10.3
109.10201	7.2
119.08589	7.5
131.08572	4.9
133.10161	4.3
137.05981	3.9
149.44121	3.3
155.07094	4.9
159.11731	5.7
205.08636	5.3
223.97163	4.1
252.07793	5.0
253.08669	6.1
255.10326	4.7
265.08517	7.4
269.08255	5.0
278.09418	9.9
280.07074	4.3
280.10870	5.4
284.06818	6.4
285.07428	4.4
293.11737	15.6
295.09497	11.2
297.07599	22.7
297.10800	6.2
299.09250	21.7
300.09918	7.1
308.14050	10.3
310.12000	8.0
311.09131	4.8
311.12720	6.1
312.09964	29.4
313.10629	15.4
314.11374	5.2
320.10379	4.3
321.11230	16.0
325.10669	9.3
326.11563	8.0
327.08508	11.8
328.12997	13.3
329.10037	5.9
335.12894	4.5
336.13757	6.2
339.12137	4.7
340.13000	45.4
341.10092	6.7
341.13806	10.8
342.10947	15.4
343.11722	53.4
343.15366	4.8
351.12350	13.5
352.12955	5.0
356.12442	8.7
366.14627	59.1
367.11725	4.4
367.15417	32.9
371.14883	79.4
371.19330	6.0
372.15112	6.5
373.12869	15.8
382.14117	6.9
384.15799	15.5
385.16434	71.4
397.16476	66.3
398.16888	4.8
415.17480	100.0
416.17828	11.9
437.30637	4.4
473.19827	5.0
497.21518	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.3
62.18789	1.2
65.86095	1.1
71.32689	1.8
80.47584	1.1
83.04996	2.5
96.56853	1.5
126.09170	1.9
178.38028	1.3
211.07402	1.2
224.08354	1.5
227.07143	1.4
237.09071	1.6
239.06918	1.9
239.10780	2.0
241.08687	2.4
251.07104	2.8
251.10559	1.4
253.08647	1.5
254.09436	1.5
255.10037	1.7
263.06897	1.9
264.07608	1.5
265.08606	2.1
266.09293	1.8
267.06671	2.5
267.10159	4.6
268.07373	2.7
268.10739	1.4
269.08099	4.7
269.11990	1.4
270.08740	2.9
278.09409	2.4
279.06863	1.4
279.10016	2.3
280.07104	1.4
280.10690	1.5
281.08047	2.8
281.11707	3.1
282.05359	1.2
282.08829	2.2
282.12381	2.2
283.06339	1.8
283.09711	3.6
283.13101	1.8
284.06808	5.1
284.09943	2.4
285.07397	3.0
286.08206	2.1
293.08060	1.9
293.11597	1.7
295.09583	7.2
296.06766	3.4
296.10208	3.3
297.07645	3.5
297.11230	3.9
298.08279	4.0
298.11523	2.4
299.09137	8.5
300.06546	1.6
300.09854	4.0
301.10336	1.9
309.07837	1.9
309.11240	3.0
310.08786	2.1
310.11987	8.5
311.09189	5.2
311.12741	3.4
312.06482	2.0
312.09787	6.8
313.07327	1.3
313.10825	7.3
313.14032	1.8
314.11292	2.6
315.08630	5.0
315.12067	2.6
320.10403	1.7
321.11365	3.8
325.10675	12.7
326.11337	9.8
327.08417	3.6
327.12003	2.4
328.09277	3.4
329.10254	4.3
330.10754	2.4
335.12485	1.5
340.13058	21.0
341.10162	7.5
341.13785	19.3
342.10843	16.1
342.14157	1.5
343.08020	1.6
343.11688	6.3
351.12299	7.9
356.12640	14.7
357.13196	6.3
358.10480	3.8
365.13449	1.5
366.14557	9.7
367.15436	2.0
371.14920	40.8
372.15311	6.8
373.12775	17.5
374.13293	4.0
383.14944	10.7
384.15530	8.6
385.16241	2.6
391.08063	1.5
397.16394	6.6
413.49969	1.3
415.17535	100.0
416.17761	14.1
437.15741	2.7
438.16025	10.3
560.19720	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	18.2
55.01870	20.7
55.05517	47.1
56.05841	10.1
57.03443	8.1
65.03947	8.7
67.05182	6.0
67.05508	73.3
68.34463	6.3
69.03433	18.0
69.07059	23.7
71.04980	5.6
74.12116	5.5
79.05494	75.6
80.05846	6.5
80.52681	6.6
81.03405	34.7
81.07058	63.5
82.03763	7.8
82.07405	13.5
83.04983	100.0
83.08620	21.8
84.05324	6.9
84.08981	7.0
85.02919	11.4
86.53554	5.9
87.04490	7.5
91.05478	98.5
92.05818	11.1
93.07041	83.1
94.07362	7.6
94.26890	5.4
95.04960	44.0
95.08602	56.8
97.06523	13.5
98.23349	14.5
99.04474	6.2
101.10741	5.6
103.05424	7.9
105.07034	90.3
106.07368	13.8
107.04962	20.6
107.08600	42.1
109.06532	37.0
109.10152	16.7
111.04441	91.8
111.08081	23.4
115.05459	18.0
117.07023	32.3
118.07394	6.7
119.08569	59.7
120.08863	6.1
121.06483	36.2
121.10150	23.8
123.08075	18.5
128.06215	31.9
129.06979	32.9
130.07784	7.0
131.08589	44.7
133.06497	21.6
133.10114	41.3
134.10405	8.8
135.04356	8.8
135.08047	46.3
137.06001	16.6
137.09641	10.0
139.07555	13.5
141.06987	24.9
142.07784	24.4
143.08560	45.8
145.06503	18.1
145.10143	60.0
147.08026	32.3
147.11687	21.9
149.05989	10.7
149.09605	19.2
151.07574	9.2
155.08575	24.8
155.58209	6.5
156.09340	16.5
157.10069	48.3
158.10532	7.6
159.08041	35.8
159.11716	20.2
161.06044	7.1
161.09634	45.0
163.07555	20.7
165.06956	10.0
167.08548	11.2
169.10133	23.3
171.08026	34.6
171.11691	18.1
172.08821	7.3
173.09663	31.4
173.13174	7.5
175.07603	17.9
175.11212	16.1
177.09023	9.6
179.08595	15.4
181.06454	6.4
181.10152	18.3
182.07468	6.5
183.08057	14.5
183.11662	18.0
184.08778	7.3
185.09644	36.5
185.13222	12.8
187.07489	11.5
187.11182	22.6
189.09042	11.3
191.08592	9.8
191.10606	6.0
192.09241	9.8
193.10117	16.0
193.12202	15.8
194.10890	10.3
194.12596	9.9
195.08060	13.3
195.11650	19.9
196.08812	7.0
197.09636	23.2
197.13298	14.4
199.11192	21.4
201.09134	13.7
203.08765	5.9
203.10648	14.6
204.09264	7.3
205.08444	8.7
205.10168	15.0
206.10875	13.8
207.11710	25.7
208.12396	6.8
209.09714	11.8
209.13306	14.4
210.10464	9.6
211.11150	18.6
211.13219	13.5
213.09102	15.6
213.12584	8.9
215.10629	16.8
217.08383	29.4
219.10002	10.0
219.11856	8.8
220.12370	7.8
221.09731	9.9
221.13310	13.9
222.10242	9.3
223.11270	14.7
223.14711	9.1
225.09186	8.3
225.12762	23.8
227.10649	10.0
228.09366	7.3
229.10101	9.6
230.10977	8.1
231.11726	19.4
232.12453	8.4
233.13234	14.9
235.11214	13.6
235.14874	10.7
237.12735	19.3
239.10561	7.3
239.14288	8.3
241.12277	8.8
243.11807	7.2
245.09558	8.3
246.10181	7.4
247.11150	10.2
247.14896	8.6
248.11757	7.8
253.12279	14.6
255.13895	10.9
257.13165	9.0
258.14142	9.2
258.19522	7.9
259.11105	6.7
259.14902	12.3
260.15714	7.7
261.12646	14.1
263.14346	9.2
265.12210	9.1
267.13620	8.7
270.14148	6.9
273.12595	6.8
274.13559	8.0
275.14478	8.0
275.17566	7.6
275.20261	11.6
276.20453	12.4
277.15778	13.1
279.13922	6.8
284.15237	7.4
285.16309	8.2
286.13986	6.6
286.17081	7.8
287.14355	11.7
288.15012	9.4
291.13776	6.8
299.14090	7.9
301.15964	6.7
303.13629	6.9
305.15479	7.7
317.15308	9.7
319.16852	9.7
321.15073	8.5
323.16763	7.0
331.16800	7.9
341.17908	6.4
345.18689	6.8
351.19586	9.2
379.19241	12.4
385.27591	6.0
397.20432	10.5
409.21472	11.2
417.24701	7.2
427.22784	16.9
428.23035	7.4
443.22134	18.6
445.23563	19.1
455.22476	9.5
461.24799	8.0
463.24759	7.9
473.23099	29.9
474.23618	7.8
479.26715	11.6
489.22635	13.1
491.24094	23.2
507.23758	19.1
525.25128	6.4
542.35193	11.8
560.36206	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67063	1.2
67.05505	3.1
67.94814	1.4
69.03429	7.5
71.04998	1.6
71.31738	1.6
73.72881	1.2
79.05495	11.7
81.07056	65.0
82.07392	1.5
85.02920	1.6
91.05494	5.9
93.07021	2.3
95.04966	2.0
95.08618	1.5
105.07038	5.4
107.08630	1.7
109.06507	24.9
117.07027	3.6
119.04956	2.1
119.08589	3.8
123.08081	1.9
129.06993	3.4
131.08572	3.6
133.10144	3.0
135.08081	2.3
137.05972	100.0
138.06302	2.9
141.06993	1.7
143.08519	3.4
145.06433	2.2
145.10112	3.4
146.10892	1.5
147.08099	2.7
154.07722	1.7
155.08615	7.1
155.09796	1.3
157.10155	3.5
159.08040	3.1
159.11768	1.4
161.05972	1.9
161.09592	2.1
163.07562	4.0
167.08543	2.1
169.10139	3.8
171.11740	1.6
173.09627	8.5
175.07600	2.1
183.08203	1.6
183.11696	1.5
185.09673	2.9
187.11172	5.9
189.09102	1.6
189.12785	3.1
191.07033	2.5
191.10553	1.4
197.09668	2.8
199.11115	2.1
203.10703	2.7
207.11658	2.1
213.12839	1.7
215.47772	1.5
225.12665	2.2
227.14323	3.8
231.10091	2.8
237.12593	1.5
241.15921	1.4
247.13364	2.3
249.12503	1.3
251.14183	2.0
259.55417	1.4
265.12216	2.1
267.13541	1.4
271.09900	1.4
280.14374	1.6
297.14719	1.8
315.15936	10.3
355.18951	2.0
357.17227	1.8
375.18027	16.3
387.19601	2.5
405.20609	24.5
406.20892	3.3
421.23795	5.8
423.21359	3.3
433.19998	6.5
447.21463	5.9
451.21198	42.2
452.21384	3.3
465.22668	4.3
468.00470	1.5
469.22610	13.8
471.18158	1.8
475.21201	1.5
483.20093	1.7
489.18744	3.9
493.22153	2.1
497.22122	1.9
507.19797	2.9
511.23035	3.0
525.20966	2.6
560.28479	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.5
59.04997	3.2
67.05502	5.6
69.03431	5.2
71.29155	4.6
73.02891	3.2
79.05478	6.1
81.07052	11.7
83.04972	3.2
85.02910	6.8
91.05479	9.1
93.07054	6.4
95.04965	4.7
95.08614	6.2
97.02896	4.2
97.06527	3.3
101.20887	2.4
105.07042	11.0
107.08642	3.5
109.02875	3.6
109.06496	4.5
111.04478	5.4
116.18298	2.5
119.08603	7.1
121.06507	4.3
131.08580	8.4
133.06494	3.0
137.06029	5.6
142.07726	3.7
143.08560	5.4
145.06537	5.3
145.10156	4.7
147.08078	4.6
155.08591	3.0
157.10219	4.3
158.44975	3.0
159.08041	5.0
159.11635	3.7
161.05971	3.7
161.09631	8.1
163.07536	3.2
167.08525	3.2
167.83763	3.0
169.10130	4.0
171.08032	5.8
171.11736	3.1
173.09636	7.5
175.07425	4.6
177.09175	3.8
183.08052	3.2
189.09117	3.5
207.11769	3.8
209.09657	3.1
213.09123	3.4
217.08556	25.2
218.08961	17.1
221.09448	3.4
223.11354	3.8
231.11737	2.7
231.13774	13.7
247.11282	4.3
266.12744	2.8
267.14005	3.0
398.26035	3.7
399.10852	5.4
399.27155	3.2
443.22311	3.5
461.23584	4.0
471.21753	4.7
489.22842	10.6
507.24271	12.8
525.24609	7.5
560.31219	100.0
561.32336	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10413	2.8
53.03947	4.7
55.01867	5.4
55.05511	15.7
57.03445	4.5
60.05645	5.1
65.03946	5.4
67.05502	34.1
69.03432	3.4
69.07076	9.2
69.54039	2.8
71.29994	4.8
73.06545	4.7
79.05494	28.2
81.03419	8.6
81.07055	28.2
83.04984	14.0
83.08619	4.5
91.05482	29.8
93.07043	34.9
94.07384	2.9
95.04984	16.1
95.08606	39.4
97.06536	5.2
105.07022	40.1
106.07386	5.5
107.04963	5.0
107.08590	37.4
108.08933	4.2
109.06523	8.7
109.10175	10.9
111.04454	8.7
111.08076	8.0
115.05473	10.0
117.07011	16.3
119.04911	3.1
119.06290	2.8
119.08573	40.1
121.06523	13.2
121.10156	13.8
123.08076	19.4
128.06218	3.8
129.07008	13.6
131.08601	22.2
133.06496	11.5
133.10118	22.0
135.08055	80.0
135.11720	5.4
136.08330	5.8
137.05981	8.6
137.09596	3.9
139.03938	3.2
141.06993	7.0
142.07802	8.2
143.08540	19.9
144.08888	3.6
145.06499	27.1
145.10143	24.3
147.08076	18.4
147.11656	15.0
149.09622	16.9
149.13225	4.6
153.09099	7.2
155.08597	7.7
156.09370	7.2
157.10100	25.6
159.08078	17.1
159.11707	17.9
161.09615	14.2
161.13295	5.5
163.07555	42.1
163.11247	8.2
169.10138	9.9
171.08075	5.0
171.11716	13.6
173.06001	11.1
173.09570	14.4
173.13297	5.2
175.11176	18.3
177.09082	7.2
177.12872	4.2
179.08507	6.8
181.10103	6.5
182.10844	3.4
183.08035	7.3
183.11722	8.8
185.09641	8.6
185.13245	9.1
187.07503	15.6
187.11235	12.0
187.14861	5.7
189.12744	13.7
191.07091	6.8
192.09413	4.0
193.10225	5.4
194.10942	3.9
195.11749	8.4
197.08098	8.2
197.09802	4.7
197.13319	5.8
199.11147	8.1
199.14893	3.8
200.11942	3.9
201.09105	4.3
201.12711	19.5
203.10635	4.3
205.08603	27.3
206.10718	4.1
207.11633	5.4
208.12311	4.1
209.13280	9.0
211.11243	5.2
213.12778	7.3
221.13298	6.0
222.13866	3.4
223.09540	36.1
223.14702	5.7
225.12782	7.0
227.14429	5.2
229.15889	3.2
231.11696	3.7
235.11209	5.8
237.12811	6.8
237.16530	3.2
247.14963	3.2
251.14264	3.7
251.18115	3.1
255.10124	3.6
289.15897	6.4
297.18396	3.9
307.16895	4.4
309.14987	6.3
315.19614	47.9
317.15207	3.3
321.14694	3.5
323.12665	3.5
329.21124	29.4
330.21454	5.2
358.83151	3.4
367.18936	8.0
401.24866	7.0
405.24460	3.0
417.00787	3.1
419.25888	6.6
429.24252	13.2
447.25266	19.1
457.23627	30.5
465.26358	5.8
475.24649	19.1
476.25192	5.1
479.28262	4.2
489.26398	33.0
490.26547	4.3
493.25842	9.6
507.27393	77.9
508.27930	10.2
525.21558	3.4
525.28418	100.0
526.28705	13.7
534.77228	3.3
560.27258	6.4
560.36420	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50498	5.4
55.05495	12.1
66.50282	5.3
69.03415	13.2
69.56474	17.7
69.56892	15.7
70.06599	8.8
71.04998	11.5
78.35146	4.9
79.05482	20.9
81.07060	66.0
83.04970	7.7
85.02889	16.9
86.83049	5.7
91.05491	10.3
93.07040	12.7
95.04970	9.2
95.08575	9.1
100.25677	5.7
102.09171	6.0
105.07033	14.2
107.08641	9.5
108.68395	5.8
109.06492	30.7
111.08080	9.2
115.05433	7.3
117.06978	7.9
119.08569	14.1
121.06550	8.2
123.08067	15.5
129.07045	12.3
131.08603	10.8
133.10101	6.4
135.08061	9.9
137.05974	90.3
143.08452	6.4
145.06454	6.1
145.10097	6.9
147.08008	9.4
149.02330	10.8
157.10159	11.1
159.08099	7.8
161.09683	12.4
169.10170	11.8
171.08034	8.6
171.11700	8.1
173.09605	8.1
185.09625	6.7
187.11194	12.8
189.08980	5.8
193.04852	7.8
195.42133	5.6
200.20125	13.5
201.12772	11.1
201.20532	6.8
207.11792	10.2
211.11107	6.1
213.12810	7.9
221.13136	7.3
227.10760	7.6
231.10136	5.8
243.13788	8.2
279.13828	7.6
285.15030	6.8
332.13641	7.3
345.20273	7.1
349.23685	7.4
386.09320	6.3
387.09671	16.8
393.20535	22.7
413.60834	6.7
435.21979	8.1
437.23184	9.4
439.25128	72.9
440.25583	8.4
461.19699	6.9
461.26193	11.4
479.20483	6.7
479.27731	8.4
481.22055	24.9
483.23904	11.1
497.21777	44.7
499.23154	74.2
507.20178	12.0
515.26233	6.5
525.21185	88.8
526.21320	11.2
543.21979	25.7
560.31866	100.0
561.20996	18.4
561.32751	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.9
55.05526	35.2
57.03438	8.4
65.31978	6.8
67.05506	68.3
68.05839	9.9
69.07059	33.6
69.15893	65.6
79.05491	38.7
81.03423	19.0
81.07060	70.0
83.04987	26.6
83.08620	22.9
85.06541	9.6
91.05468	57.4
93.07036	65.8
95.04981	30.0
95.08611	100.0
97.06538	13.5
104.10712	12.0
105.03371	16.5
105.07035	77.6
106.07286	9.1
107.04958	11.0
107.08592	57.6
109.06501	12.7
109.10129	41.1
111.04469	10.9
111.08060	15.9
117.07043	20.0
119.08559	60.3
120.23229	7.1
121.06491	14.2
121.10157	29.9
123.08058	21.1
123.11675	6.9
129.06989	23.0
130.52875	6.4
131.08546	41.0
133.10121	40.8
135.08041	18.9
135.11696	19.5
137.09584	10.5
142.07756	14.7
143.08560	48.1
144.09386	9.4
145.06544	7.4
145.10123	53.9
147.08041	17.4
147.11632	36.1
149.09677	17.8
149.13237	13.8
154.07582	10.1
155.08504	11.5
156.09351	12.1
157.10132	44.1
159.08061	10.6
159.11707	47.1
161.09622	19.1
161.13231	15.5
163.11134	10.2
165.06953	8.7
167.08557	10.2
169.10123	29.1
170.10947	10.1
171.11705	50.3
173.09590	16.8
173.13246	21.8
175.11183	14.9
181.10153	15.9
183.11714	32.5
185.13231	40.3
187.11163	9.3
187.14827	22.5
189.12756	11.3
190.22595	7.8
193.10208	10.9
193.12241	10.5
194.11121	7.3
195.11673	20.5
197.13274	16.5
199.14778	19.6
201.12668	12.8
207.11690	10.6
209.09622	12.3
209.13255	24.1
211.11243	12.9
211.13123	12.2
211.14912	7.9
213.12740	8.7
221.13303	9.9
223.09390	9.0
223.14743	13.4
225.16386	13.1
227.14394	12.2
227.17990	31.3
235.11238	9.3
235.14668	15.4
237.12787	14.8
239.14308	12.9
241.15901	10.0
241.19484	13.7
251.14386	8.4
251.17928	10.8
253.12296	9.0
255.13951	9.4
255.46815	7.6
265.15799	8.7
269.15768	7.0
269.19073	23.9
273.16129	9.1
277.15982	11.9
285.16431	7.7
295.16989	17.1
295.20438	11.4
315.19547	9.8
321.18521	12.2
329.21005	9.7
349.21689	12.5
367.26236	53.7
369.24130	13.3
376.89316	8.6
381.27567	12.0
385.27341	8.4
391.22137	10.4
391.26483	19.3
399.23520	15.9
407.25745	19.5
409.22736	8.4
409.27640	62.6
410.28104	8.0
417.24237	55.5
435.25266	97.8
453.26285	71.6
461.26978	13.0
479.27432	9.5
507.27231	11.5
525.28156	11.6
543.36975	11.5
560.36011	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98415	7.9
51.36232	8.3
53.03939	14.9
55.01884	10.6
55.05511	43.7
63.85823	8.2
67.05505	80.9
69.07064	22.0
69.28827	68.6
71.04984	12.1
79.05490	63.5
81.03408	16.8
81.07050	77.1
83.04970	44.2
83.08627	16.4
85.30151	9.9
91.05460	64.9
93.07037	95.7
95.04979	27.2
95.08598	100.0
97.06545	9.4
97.10142	14.5
105.07020	95.3
106.07403	14.6
107.08584	66.9
109.06522	58.0
109.10181	33.3
111.04437	29.5
111.08086	25.3
117.07011	16.0
119.08580	93.8
121.06503	22.3
121.10174	42.9
123.08064	35.8
123.11746	10.6
129.06992	17.2
131.08559	42.2
133.10126	49.2
135.08073	23.9
135.11714	21.4
137.05952	11.5
137.09682	8.7
139.07585	17.7
141.06964	11.6
142.07779	23.3
143.08607	49.8
145.06502	10.5
145.10146	67.9
147.08076	25.2
147.11694	41.3
149.09618	17.6
155.07031	29.6
155.08571	34.5
156.09294	11.2
157.10117	67.1
159.08107	15.5
159.11646	52.6
161.09630	27.0
161.13213	17.0
163.11188	11.4
169.10123	48.5
171.11693	47.5
173.09612	22.7
173.13249	32.1
175.11165	21.5
177.09190	11.2
177.12729	11.9
181.10118	19.4
183.11676	42.2
185.09662	21.3
185.13266	39.4
187.11205	14.3
189.12750	16.6
193.10118	15.2
195.11700	34.4
196.12424	11.0
197.09579	13.4
197.13263	34.9
199.11208	16.0
201.12727	17.5
205.12241	17.3
207.11757	24.2
209.13264	31.2
211.14822	21.9
213.12668	9.9
219.13928	17.2
221.13243	11.0
223.11221	18.4
223.14764	21.1
225.16302	14.7
229.12236	10.6
232.12762	11.0
233.13239	17.6
235.11224	12.0
235.14948	18.7
237.12743	19.1
245.15434	27.3
249.16347	12.7
251.18141	9.1
253.15790	14.4
259.14789	13.1
271.17139	18.5
275.19955	15.9
276.20404	13.2
277.15997	9.5
285.18427	11.8
289.15842	14.4
289.19254	9.8
305.18988	9.3
307.20618	12.7
309.22256	11.6
325.21732	27.0
329.24826	36.8
387.23279	12.4
405.23978	12.6
429.23685	11.1
439.22620	12.7
444.57321	11.8
447.28946	36.2
454.65717	9.5
457.23648	29.3
458.25052	12.1
465.30338	84.6
471.24890	9.7
475.24585	33.5
483.31110	22.3
489.26468	69.5
493.25772	29.3
507.27460	60.0
542.35547	18.0
560.36029	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	10.4
55.01864	18.9
55.05513	45.0
57.03458	9.9
57.07064	8.8
60.05656	9.9
65.03941	10.2
67.05511	79.2
69.03422	10.0
69.07063	25.2
69.35723	54.6
71.04971	10.7
79.05501	53.1
81.03419	41.6
81.07051	87.1
82.03756	9.7
83.04984	53.3
83.08619	21.8
91.05478	76.7
93.07050	86.6
95.04964	36.0
95.08596	100.0
97.06554	18.1
97.10140	11.7
105.07038	88.9
107.04936	12.8
107.08594	71.4
109.06509	33.5
109.10133	27.6
111.04451	30.0
111.08073	29.4
117.07022	15.0
119.08572	93.8
121.06482	29.0
121.10134	32.5
123.08043	29.7
123.11700	8.2
126.60401	8.0
129.06990	30.9
131.08568	54.6
133.06442	8.4
133.10132	74.8
135.08049	20.1
135.11707	22.0
137.06023	13.0
137.09642	19.7
139.07506	20.2
141.06985	17.2
142.07806	16.2
143.08569	53.8
145.10144	52.9
147.08020	35.8
147.11649	43.7
149.09563	19.0
151.11203	11.0
155.07176	10.9
155.08551	30.5
156.09334	14.9
157.10123	81.6
158.10526	8.5
159.08049	20.5
159.11714	59.5
161.09618	28.9
161.13269	18.7
163.11201	15.9
165.06943	12.6
168.09343	13.7
169.10133	48.3
170.10780	13.4
171.08014	20.3
171.11719	47.8
173.09636	16.4
173.13231	24.3
175.11209	22.1
179.08574	13.7
181.10118	16.5
183.11711	38.9
185.09656	19.2
185.13277	18.2
187.11163	20.4
189.12796	16.7
193.10165	18.2
194.10912	9.6
195.11725	27.6
197.13216	31.7
199.11148	20.1
201.12741	17.2
207.11691	19.8
209.13245	31.5
211.11125	16.1
211.14845	28.7
213.12743	14.5
219.11749	13.1
220.12379	10.9
221.09416	9.5
221.13275	17.7
221.15469	9.5
223.14810	16.3
225.16222	10.6
227.14320	13.0
235.11163	10.1
235.14957	12.1
239.14386	13.7
245.15421	14.2
253.15877	15.6
269.15479	13.7
275.20157	15.7
276.20407	13.1
285.18561	9.9
291.17401	9.6
295.16806	11.5
297.18524	8.5
307.20496	14.2
313.17874	10.7
325.21481	16.1
325.62604	9.8
329.24603	12.6
387.23178	9.0
411.22913	8.5
429.24045	25.7
447.29297	23.3
457.23529	28.8
465.30392	55.4
471.25214	10.4
475.24857	52.5
477.26132	12.6
489.26569	63.4
490.26608	12.4
493.25739	36.9
507.27289	67.8
542.35394	25.2
560.36688	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02403	4.5
53.03919	4.4
53.57285	3.8
55.01873	11.2
55.05520	22.4
57.03425	6.8
62.07782	3.6
67.05507	46.4
69.07071	20.6
69.63776	14.0
69.64182	8.7
71.04981	4.9
74.14881	4.4
76.32915	3.9
79.05495	38.2
81.03426	25.4
81.07050	45.3
83.04971	12.7
83.08616	10.3
84.08941	4.4
85.02878	5.4
91.05477	41.5
92.05824	5.7
93.07050	36.1
95.04977	17.8
95.08606	48.5
97.06539	14.4
105.07050	50.0
106.07372	6.5
107.04986	7.2
107.08598	25.3
109.06519	8.7
109.10143	20.6
111.04449	9.9
111.08091	12.5
117.07043	14.4
119.08591	48.5
121.06478	7.0
121.10159	25.9
123.08070	10.6
123.11702	10.1
123.31025	4.3
125.09638	7.7
129.07018	10.0
131.08572	23.3
133.10126	24.8
135.08052	6.8
135.11702	9.9
137.09637	7.2
139.07538	7.7
141.06979	5.0
142.70090	4.9
143.08549	23.0
145.10155	31.3
147.11673	17.0
148.12000	5.4
149.09598	10.2
155.08562	9.6
156.09267	5.9
157.10156	26.1
159.11719	22.3
161.09607	7.5
161.13257	14.7
163.11194	7.4
164.11508	4.9
169.10139	13.5
170.10687	5.0
171.11687	15.6
173.09714	6.3
173.13271	11.5
175.11198	8.5
175.14867	6.1
181.10271	6.3
183.11748	15.1
185.13257	17.0
187.11195	5.7
187.14851	13.8
189.12715	5.0
193.12180	6.0
195.11755	5.7
197.13287	8.4
199.14865	11.8
199.29628	4.2
201.12766	5.7
201.16382	7.2
203.14450	4.9
209.13348	5.4
211.14888	9.6
213.16429	10.1
223.14886	6.3
227.17903	16.8
229.15956	5.5
230.63060	5.2
239.17790	5.6
241.15895	6.5
241.19539	7.9
265.44528	5.0
269.19043	11.3
275.19998	16.8
276.20374	14.4
281.08182	8.3
311.09183	5.6
315.08719	5.2
343.11746	10.3
367.26218	27.8
381.27734	14.9
385.27356	6.6
391.26413	8.7
403.50470	5.2
409.27530	32.0
420.56372	5.1
439.11511	14.2
461.26938	7.6
479.27679	5.9
542.35199	13.9
560.35962	100.0
561.36517	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	5.8
57.03438	4.8
57.07076	24.2
67.05505	43.5
69.07069	9.1
69.16572	32.2
71.04979	10.7
71.08622	16.3
74.21081	3.7
79.05513	4.1
81.07047	18.8
83.04955	3.7
83.08615	8.3
85.10177	10.6
91.05469	7.1
93.07053	5.7
95.08601	18.8
98.22573	6.6
105.07036	7.9
107.08599	6.6
109.10162	38.0
114.66837	4.3
119.08543	5.2
124.22166	3.9
135.11688	6.8
137.09572	5.0
147.11646	4.9
203.17996	14.7
239.23625	3.5
287.18536	17.2
313.27426	21.0
406.12106	3.6
467.37311	100.0
468.37534	12.3
481.38794	5.0
525.41473	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.7
55.05505	9.7
67.05499	16.0
69.04126	18.0
69.04538	3.7
69.07064	8.8
79.05495	15.7
81.03400	9.6
81.07042	18.1
83.04971	4.0
83.08614	4.6
90.07696	2.0
91.05502	14.4
93.07067	14.5
95.04965	4.5
95.08589	12.3
97.06543	4.1
97.10188	2.7
105.07011	13.4
106.07355	2.2
107.08564	7.1
109.06462	4.6
109.10123	3.7
117.06999	5.0
119.08591	10.6
121.10141	5.1
123.08073	2.2
123.11642	2.2
125.09549	3.1
131.08539	6.4
133.10126	4.5
135.08041	2.7
135.11728	3.4
137.06029	2.1
143.08543	2.8
145.10114	7.2
147.11693	4.3
149.09608	2.8
157.10165	2.9
159.11681	4.7
161.09586	2.6
161.13229	4.3
170.87703	2.4
171.11722	3.7
211.13301	2.9
223.07672	2.9
227.07024	5.3
235.07658	2.1
252.07974	2.5
253.08595	3.6
255.06534	8.5
263.07092	2.3
265.08502	3.7
265.12152	2.2
267.10019	5.1
275.20020	7.4
276.20279	2.4
280.07211	3.6
281.08093	4.1
283.06027	6.2
293.07916	3.2
293.11465	3.2
295.09662	3.4
298.08383	20.5
299.09055	4.6
301.06833	4.4
302.25302	2.1
306.08887	4.0
311.09363	2.3
313.07440	3.1
313.10541	11.7
315.08429	2.5
321.11179	10.1
326.07843	7.8
336.09714	3.0
337.10684	3.4
341.10239	24.4
342.10464	3.9
343.11661	3.2
351.12360	2.6
352.12991	3.4
353.13910	3.1
357.13266	2.6
383.14801	12.7
385.26550	3.0
401.15695	8.3
439.11548	81.8
440.11771	5.9
542.34711	2.9
543.36725	5.0
560.36371	3.5
561.14868	100.0
561.37726	6.6
562.15045	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05647	3.2
61.81236	1.9
62.74829	1.8
67.36878	2.0
71.32274	4.1
79.05486	2.6
80.72665	2.1
81.07058	3.2
87.82436	2.1
91.05479	4.8
105.07040	3.9
137.05989	2.2
138.82355	1.9
165.07129	2.2
174.91901	1.9
194.81375	1.8
203.07321	1.9
223.03983	2.0
235.07541	3.1
236.08372	2.5
237.09166	3.3
238.06433	3.3
239.10822	3.1
241.08444	3.2
251.07172	3.4
252.07841	3.6
254.05870	2.6
257.08212	2.8
263.06998	2.5
265.08636	8.2
267.06775	3.6
267.10138	9.1
268.07318	3.2
269.08115	5.2
271.06320	2.3
279.10269	3.0
280.07352	2.7
281.08090	3.4
282.08838	3.7
284.06677	3.4
285.07449	3.5
295.09692	15.1
297.07712	3.0
297.11151	4.3
299.09195	6.0
312.10080	2.7
313.07227	5.4
325.10712	7.9
327.08694	3.1
327.12350	3.2
328.09399	3.5
329.10165	4.7
353.14011	3.7
357.13452	12.7
359.11328	5.8
370.58008	2.3
371.15015	4.8
383.14835	2.5
384.74362	2.2
401.15930	29.0
402.16690	2.2
408.09576	5.4
439.11542	72.4
440.12009	4.3
561.15204	100.0
562.15338	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
55.01463	2.2
55.01867	5.7
57.03437	3.8
65.03938	3.2
67.01852	2.2
67.05496	3.1
68.99795	3.7
69.03403	2.0
70.06583	2.4
70.92718	3.7
79.05487	3.5
81.03415	7.6
81.07038	2.3
84.74087	1.6
85.02915	10.0
91.05479	6.3
93.03391	3.5
95.01366	3.3
95.04974	5.2
97.02887	12.6
103.03971	2.2
103.05473	3.4
105.03391	2.5
105.07023	3.4
107.04945	37.8
109.02872	14.5
109.10143	6.4
111.04469	2.1
115.05434	3.8
117.06991	3.3
119.04954	13.6
121.02856	23.7
121.06516	12.2
123.02097	1.7
123.04424	35.7
125.05968	2.0
129.06987	3.2
130.00787	1.9
131.04921	8.3
133.02840	3.2
133.06470	9.4
135.00706	2.0
135.04401	28.8
137.02367	2.3
137.05972	2.5
137.09558	5.1
138.09961	4.4
139.03918	5.8
141.06985	4.3
145.06487	7.7
147.04407	28.1
147.08073	4.4
149.02362	4.4
149.05981	4.6
151.03900	5.0
153.01804	3.3
155.10625	5.0
157.06493	3.7
159.04437	9.6
161.02373	4.4
161.05995	14.7
163.03918	8.5
165.01801	14.3
165.09105	7.8
166.09441	4.3
171.04413	3.8
173.05945	15.8
175.03905	7.9
175.07524	5.3
177.01811	19.5
177.05441	11.6
181.06430	2.7
182.16042	2.1
183.02910	5.8
183.10118	3.3
184.10481	4.0
185.05978	4.6
187.03909	12.7
187.07501	4.2
189.01785	25.8
189.05432	5.3
190.88940	1.6
191.03331	13.7
191.07159	1.8
193.01439	3.1
193.04942	3.2
195.02881	31.1
195.04568	3.3
196.03435	1.8
197.05951	5.2
199.03879	2.7
201.01854	9.7
201.05443	27.8
201.11179	9.6
202.02435	3.0
202.05841	1.9
202.11578	6.7
203.03363	24.3
203.07138	2.1
205.01358	5.9
205.04868	4.7
207.02855	14.4
213.05545	5.0
215.03360	19.9
215.06935	3.0
217.01340	4.4
217.04932	6.6
219.02881	27.3
219.12294	2.1
220.12605	2.4
221.00908	8.6
221.04472	8.2
223.02304	4.7
225.05473	6.7
227.03343	12.0
227.06891	2.6
229.01413	2.6
229.04938	35.3
231.02867	81.0
231.06433	4.3
232.03236	3.2
233.04416	5.8
241.01334	2.6
241.04906	7.9
243.02878	53.0
243.06522	16.9
245.04507	10.7
247.06120	2.3
249.03877	25.4
253.04948	6.7
255.02924	12.1
255.06432	2.9
257.04462	34.8
258.04803	2.7
259.02463	6.0
259.05951	4.1
261.03885	31.1
267.02765	3.0
267.06500	2.4
269.04404	13.5
271.02432	4.0
271.06006	17.0
273.03922	47.1
274.04300	1.9
275.05566	3.8
279.04919	3.3
281.04453	7.4
283.02460	2.9
283.05896	6.3
285.03918	100.0
285.07159	5.6
286.04211	6.1
287.05530	7.9
289.03436	6.8
291.04935	23.7
293.04361	2.8
295.06015	3.8
297.03894	23.3
297.07529	22.8
298.04434	2.5
299.05453	16.4
303.05145	4.5
309.03525	8.8
309.07660	8.4
311.05438	3.0
313.07108	2.7
315.04987	16.8
321.06302	3.1
323.05499	3.6
327.04944	76.5
328.05264	5.3
339.04938	13.8
345.06055	24.8
351.04648	4.0
351.08575	33.6
357.05988	21.4
363.07080	86.2
364.07486	6.5
369.05853	14.2
375.07083	13.6
379.07870	2.2
381.09732	16.5
387.06976	16.2
391.08105	3.6
393.09097	23.9
394.09720	2.6
405.08405	61.3
406.08688	5.2
409.09158	11.0
411.10797	15.7
417.09628	15.1
421.09125	2.9
423.09311	24.9
424.09717	2.3
427.10098	6.9
429.11868	55.0
430.11859	5.8
435.10889	2.6
441.10269	48.9
442.10416	3.7
447.10706	35.0
448.10876	3.5
459.10623	9.3
465.11630	18.7
466.11990	2.4
471.10785	2.7
477.11780	11.0
483.12839	26.5
484.13126	2.5
489.11795	5.1
495.12695	31.0
496.13162	2.8
507.12811	18.1
517.64148	2.2
525.13898	22.2
526.13568	2.2
543.14923	23.3
561.17084	1.8
569.87299	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01697	5.6
52.62710	4.9
65.56409	6.3
65.59872	4.7
70.58116	9.7
70.58445	5.8
88.01669	6.9
94.32064	5.6
98.23237	5.7
141.30939	5.4
143.81247	5.2
144.02531	5.2
150.06303	5.2
175.39305	5.4
233.61375	5.0
243.82353	5.8
253.85234	4.9
543.91315	8.4
561.18878	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70094	0.5
64.37665	0.5
69.12030	4.8
69.68839	0.4
78.38080	0.5
88.03138	0.6
98.22626	1.1
101.96626	0.6
117.46143	0.5
123.04427	1.2
139.03961	0.8
147.04419	0.6
159.04156	2.0
159.07938	0.6
173.02060	1.1
187.03725	1.7
189.05229	2.6
201.05150	3.2
204.07576	30.1
205.08119	1.6
217.04764	3.7
218.05533	1.2
292.09531	0.5
317.01477	0.5
340.03427	0.5
363.10580	1.0
369.13065	8.2
379.10138	0.9
381.13110	1.1
399.14133	100.0
400.14444	7.0
418.74802	0.6
501.21268	6.0
502.21524	0.7
531.18195	1.9
561.19348	63.2
562.19507	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70992	0.3
66.00871	0.3
68.99548	0.4
69.35783	2.1
81.03180	0.8
82.03991	0.5
83.01100	2.1
84.01878	0.5
95.01086	5.1
95.08723	0.3
96.01878	1.9
98.22608	0.4
111.00542	0.5
112.01353	1.2
113.02135	5.8
116.89497	0.3
123.04478	0.4
126.02946	0.5
139.03815	0.6
141.05211	0.5
156.03979	0.3
157.04749	1.4
159.04076	0.3
167.03172	1.8
185.04204	10.5
201.03687	9.9
201.05310	2.1
202.05998	0.4
203.05276	0.6
204.07530	2.0
219.06265	3.5
233.15555	0.4
275.05173	0.4
289.06796	1.2
300.94342	0.4
310.82162	0.3
363.10425	1.8
379.09955	1.5
381.13098	3.6
399.14120	0.4
483.20578	0.4
501.21152	0.6
561.19397	100.0
562.19800	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1943
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
54.53368	0.4
58.34856	0.3
59.46659	0.3
69.56139	1.5
69.56554	0.8
83.01099	0.9
97.06493	0.5
98.23286	0.5
98.97576	1.2
113.02123	0.4
114.96651	0.4
139.03748	0.5
149.83624	0.4
159.04170	9.5
160.04749	0.4
169.27852	0.3
173.01173	0.5
185.04265	1.0
201.00731	0.5
201.03677	1.3
201.05267	1.5
213.07343	0.5
219.01906	0.6
221.15051	0.4
233.07825	1.0
267.03995	0.4
291.03894	1.0
337.12527	4.3
351.10495	3.7
365.12021	4.6
366.12845	11.5
367.13544	1.0
381.11975	0.5
496.58801	0.4
501.16281	1.0
531.18280	8.6
532.18738	0.6
561.19379	100.0
562.19745	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2094
Annotation	Hyperaspidinol B
Peak:m/z	Relative Intensity
51.86079	0.2
55.05527	0.3
58.22326	0.3
69.05219	2.9
79.05515	0.3
81.07066	0.4
83.04979	0.3
83.55981	0.3
105.03410	0.9
106.72314	0.3
107.08538	0.3
279.22800	0.3
310.12027	0.4
330.10846	0.4
331.11850	0.4
337.06668	0.4
341.14059	0.6
401.75516	0.3
427.11130	0.3
459.10339	0.4
513.14990	0.4
531.16156	0.8
543.20294	0.4
546.18561	1.2
561.20929	100.0
562.21240	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2335
Annotation	Lancifodilactone E
Peak:m/z	Relative Intensity
53.03939	2.9
55.01870	2.8
55.05495	3.7
57.03415	2.0
65.03925	2.8
67.05503	4.4
68.05833	1.6
69.03085	3.1
69.03434	44.2
69.07063	2.8
71.30669	2.3
79.05496	11.2
81.07053	21.1
83.04945	2.3
83.08549	1.6
85.02906	3.5
91.05479	16.1
93.07039	12.5
95.04973	10.2
95.08597	6.8
97.02898	4.8
97.06504	2.3
98.97607	2.6
103.05430	2.4
105.07021	17.8
107.04952	3.4
107.08590	8.5
109.06521	21.7
109.10149	2.5
111.08080	25.4
115.05426	2.8
117.07001	10.3
118.06516	4.9
119.04921	3.9
119.08559	11.4
119.98731	2.0
121.06487	10.7
121.10136	1.9
123.04412	3.9
123.08062	7.9
128.06166	4.2
129.06987	10.1
130.06522	4.3
130.07774	2.0
131.08582	12.8
132.08096	3.0
133.06502	8.6
133.10129	7.0
135.04434	2.4
135.08046	8.1
135.11639	1.9
137.05988	29.8
137.09630	2.0
139.07509	12.2
141.06973	6.5
142.07753	4.9
143.08568	13.2
144.08055	3.8
145.06430	5.1
145.10133	10.9
146.05998	13.8
146.07124	3.3
147.04388	2.9
147.08102	9.0
149.05933	8.2
149.09633	5.3
151.07532	4.8
153.05551	4.2
153.06976	3.2
154.07835	3.9
155.08539	12.0
156.09279	1.9
157.06488	4.1
157.10146	11.9
158.07195	2.2
159.08165	12.3
159.09138	14.1
159.11681	6.7
161.05957	22.0
161.09663	8.8
163.07484	3.7
163.11206	3.6
164.08585	1.6
165.06946	3.1
165.09093	1.9
167.08548	6.8
168.09267	3.6
169.06448	4.5
169.10115	8.4
171.08051	8.6
171.11682	6.8
171.83777	1.8
173.06052	3.6
173.09602	13.0
173.13202	2.3
174.10277	2.1
175.07568	8.0
175.11176	5.7
177.00645	2.0
177.05458	5.6
177.09010	2.5
179.08565	6.3
181.06432	2.1
181.10103	6.1
182.07208	1.9
183.08037	5.2
183.11644	6.5
184.08897	2.2
185.09637	12.5
186.10385	2.1
187.07455	3.4
187.11180	8.0
188.07069	28.2
189.07452	3.1
189.09105	14.7
191.06956	2.5
191.10596	2.0
192.09402	2.0
193.08553	2.2
193.10138	4.5
194.07300	2.2
195.08075	4.1
195.11743	5.4
196.08727	2.2
197.09636	5.0
199.07553	3.1
199.11136	9.1
199.14912	1.8
200.08397	2.5
201.09050	6.3
201.12794	3.5
203.07047	28.9
203.10559	3.4
205.10031	12.1
207.11708	6.0
209.09573	5.8
209.13208	3.9
210.10312	2.1
211.07526	3.1
211.11053	8.7
213.09111	6.7
213.12761	2.4
215.10689	3.2
217.08479	3.9
217.12166	2.7
219.09941	2.7
219.11795	4.3
220.08826	2.7
221.06122	2.4
221.09663	3.3
221.13251	3.9
223.11066	8.4
223.14705	2.0
225.09099	5.0
225.12785	9.2
227.10663	7.2
229.08336	2.2
229.12248	4.5
231.09904	2.8
231.11833	3.3
233.07861	2.8
233.09883	2.8
233.13275	3.9
233.15465	5.0
234.10405	2.9
235.07385	2.3
235.11174	7.7
237.09093	3.0
237.12761	7.2
239.10718	5.3
239.14021	2.4
241.08467	1.8
241.12315	2.4
243.09944	2.6
245.11658	2.3
247.11232	3.8
249.12660	5.5
250.06229	2.4
250.13452	2.4
251.10719	4.3
251.14185	3.9
253.08734	2.4
253.09673	2.4
253.12219	17.0
254.13100	2.2
255.13800	3.8
263.14288	3.8
265.08594	4.4
265.12241	5.8
266.13138	2.1
267.10132	3.8
267.13580	3.8
277.12286	3.7
277.15671	3.0
279.13858	4.1
285.10895	2.8
285.16302	2.5
287.14276	2.0
289.15756	2.5
291.13828	1.9
297.11267	4.3
303.13763	2.4
307.09607	2.7
307.16916	3.5
311.12827	1.9
317.15204	3.8
317.18893	2.4
319.16705	2.2
327.12259	5.5
330.16190	2.2
335.16745	3.3
335.20105	2.6
339.12231	4.1
345.18271	4.8
347.20123	2.2
357.13364	3.5
363.19525	6.6
364.16397	3.1
373.18060	9.8
375.19537	6.6
376.20380	3.7
381.20563	2.0
391.14423	2.8
391.19070	41.6
392.19650	5.2
393.20660	5.0
399.27460	2.1
401.17120	3.5
403.19055	13.2
404.19495	4.8
405.20490	5.2
409.20102	24.0
415.19312	3.0
417.20709	2.1
419.18353	12.6
421.20169	25.4
422.20761	9.9
423.21506	4.3
431.18268	4.7
433.20032	12.1
435.21579	5.6
437.19531	43.0
439.21286	10.5
443.18301	2.9
445.20056	5.7
447.16968	2.7
449.19547	35.1
450.20184	3.6
451.21249	18.1
453.22775	3.0
455.20654	18.9
457.22067	3.4
461.19461	11.8
463.21240	13.3
465.22888	2.3
467.20743	54.0
468.21094	4.9
469.22067	2.3
477.19025	5.5
479.20691	35.1
480.20889	2.8
481.22147	13.0
483.20035	6.2
485.21634	16.6
489.18878	5.5
495.19843	6.6
497.21710	100.0
498.21851	7.9
499.23279	21.0
501.21191	43.9
502.21591	5.0
504.83835	2.1
507.19986	14.8
509.21692	6.0
513.20520	4.5
515.22711	80.9
516.22791	5.9
525.21130	22.9
527.22772	13.0
543.22076	14.1
561.22876	8.7
561.32257	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2333
Annotation	Lancifodilactone E
Peak:m/z	Relative Intensity
53.03943	1.3
55.01867	3.2
55.05504	3.8
56.96547	1.1
57.03433	2.8
58.90962	1.0
67.05508	6.3
68.99796	1.7
69.03427	9.0
69.07060	2.4
70.57658	2.2
70.57996	1.1
73.02909	1.0
77.03965	1.0
79.05491	7.9
81.07063	11.3
82.29918	0.9
83.01331	1.8
83.04978	3.3
85.02896	2.3
87.00787	1.1
91.05484	12.7
93.07055	10.3
95.04959	6.9
95.08601	7.2
97.00354	0.9
97.02882	1.3
97.06533	5.9
98.97573	2.7
103.05470	1.4
103.53409	1.0
105.07031	17.7
107.04955	4.7
107.08590	7.8
109.06521	14.7
109.10169	2.3
111.04440	1.3
111.08073	5.5
115.03922	1.1
115.05443	4.0
117.07026	9.9
119.04946	1.4
119.08593	11.3
121.06508	10.3
121.10194	5.6
123.04419	4.2
123.08073	15.2
125.06006	4.1
125.09584	1.3
128.06206	6.4
129.07019	10.0
130.07800	2.8
131.04909	2.5
131.08577	14.2
133.06464	5.4
133.10126	9.7
135.04413	3.1
135.08055	9.1
135.11708	2.1
137.05992	15.1
137.09631	3.5
138.79765	1.0
139.07532	5.0
141.06985	7.2
142.07796	5.2
143.08556	14.3
144.09288	1.4
145.04955	1.0
145.06477	6.1
145.10126	12.7
146.07222	1.9
147.04427	1.5
147.08032	8.1
147.11687	5.5
149.06009	5.5
149.07120	0.9
149.09639	5.6
151.03949	1.4
151.07594	5.5
153.05452	2.2
153.06946	2.8
153.09007	1.6
154.07790	2.9
155.08542	10.0
156.09343	4.2
157.06488	1.8
157.10124	15.9
158.07281	3.6
158.99625	1.5
159.04398	1.0
159.08064	12.9
159.11707	10.2
160.08745	2.7
161.05963	4.6
161.09616	19.0
163.07541	3.1
163.11168	3.4
165.05528	2.1
165.06985	2.7
165.09148	2.0
166.07761	3.3
167.07065	1.6
167.08522	3.7
168.09344	4.7
169.06447	1.7
169.10132	12.7
171.08076	9.4
171.11719	6.1
172.08698	2.5
173.05928	2.6
173.09637	12.9
173.13263	2.1
174.06816	1.0
174.10336	2.1
175.07605	5.2
175.11201	10.2
176.08290	1.1
177.00749	1.5
177.05490	4.1
177.09154	4.6
179.07014	2.6
179.08551	4.2
179.10670	1.6
180.09334	1.7
181.06548	2.3
181.10114	7.7
182.10902	1.1
183.08104	4.9
183.11707	9.3
184.08871	1.9
184.12173	1.2
185.05971	1.6
185.08116	1.6
185.09619	12.7
185.13365	2.1
186.10454	2.2
187.07553	4.4
187.11208	8.7
189.09116	10.2
189.12743	2.7
191.07043	2.0
191.10638	2.6
192.09334	1.9
193.08539	1.3
193.10114	3.6
195.07973	2.3
195.11693	3.8
196.08786	1.2
196.46634	1.0
197.05989	1.3
197.09613	4.3
197.13237	3.0
198.10374	0.9
199.07515	3.4
199.11208	9.1
200.11942	2.8
200.15532	1.0
201.09131	6.9
201.12759	8.5
202.09848	1.3
202.13472	1.4
203.06921	1.6
203.10645	5.7
205.08574	4.3
205.10252	1.4
205.12173	1.0
206.10902	1.3
207.10077	2.1
207.11758	4.2
208.08910	1.3
209.09694	5.1
209.11276	0.9
209.13289	3.2
210.10172	1.6
211.07651	2.0
211.11209	6.0
212.08409	1.4
212.12103	1.6
213.09145	7.8
213.12749	3.1
215.10674	3.7
217.08530	2.1
217.12311	3.6
218.10887	1.4
219.01805	2.7
219.10152	4.3
219.11932	2.0
219.13741	1.6
221.09741	2.2
221.13284	2.9
223.11156	3.6
223.14801	2.1
225.09108	3.3
225.12726	3.9
227.10661	8.3
227.14200	1.3
228.11513	1.8
229.08493	2.6
229.12219	3.3
231.10127	3.3
233.13365	1.9
233.15392	1.1
234.10509	1.4
235.11343	2.0
236.11818	1.2
237.09100	1.7
237.12761	3.9
237.16354	1.2
239.10713	3.2
239.14284	2.3
241.12257	2.3
244.12685	1.5
245.11728	3.9
247.11110	3.0
249.09134	1.0
249.12746	3.5
250.13533	1.0
251.10687	2.1
251.14323	2.3
252.15240	1.3
253.08562	2.0
253.12228	4.7
255.10078	2.3
255.13882	1.9
259.11270	1.3
261.12662	1.9
263.10745	1.2
263.14417	2.2
265.12289	3.1
265.15952	2.2
267.13861	2.4
267.17178	1.3
269.11777	1.1
273.03885	6.3
273.16086	1.4
274.13544	1.3
275.14377	1.4
277.12143	1.6
277.15860	1.8
279.13809	2.2
281.11594	1.7
289.15799	2.3
291.13885	1.7
291.17355	2.3
293.15421	2.4
295.13470	1.8
295.16541	1.0
301.15991	1.3
303.13965	2.0
307.16779	1.7
309.18277	1.2
317.15170	2.0
319.13409	1.1
319.16953	2.8
321.14728	1.1
323.20047	1.3
328.18210	1.1
333.04855	1.4
333.14664	1.1
333.18484	2.4
335.16492	1.6
337.18173	1.8
345.18625	1.4
347.16318	1.5
349.18079	1.5
351.19580	3.0
355.18799	1.4
359.16260	1.9
361.17905	3.4
363.15793	2.0
363.19745	2.2
375.19482	2.2
377.17322	2.0
379.19019	6.7
381.16800	1.6
381.97665	1.0
387.19763	1.3
389.17227	1.9
391.18976	4.4
393.20547	2.3
395.18439	1.1
399.26700	1.1
405.16772	3.4
407.18436	4.0
409.19818	1.8
409.24289	1.6
415.19141	2.3
417.20541	3.5
419.18402	2.1
421.20020	5.6
423.17947	3.2
425.19388	3.2
431.17917	1.3
433.20557	5.4
435.21570	4.4
437.19196	3.6
437.23526	3.3
439.21228	4.1
441.19318	2.0
443.18445	1.9
445.20093	3.2
449.19659	8.3
451.16409	2.7
451.21069	6.9
453.23007	9.2
455.24500	18.8
461.19510	8.9
463.21170	7.7
467.20697	12.4
468.21460	2.4
469.18112	7.3
471.18823	2.2
477.18622	2.2
479.20563	11.6
480.20633	1.3
481.22168	10.6
483.19907	1.3
485.21515	2.9
487.19623	72.6
488.19922	5.8
489.19135	6.3
495.19577	3.3
497.14468	1.8
497.21759	36.9
498.21887	2.7
499.23294	49.3
500.23657	5.4
501.21344	1.4
507.20203	11.4
509.21744	1.7
515.22778	7.3
517.24237	1.7
525.21143	25.6
526.21442	1.9
527.23468	1.1
543.22211	100.0
544.22565	8.4
561.22913	8.8
561.32251	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.6
55.01868	2.0
55.05513	2.8
57.03452	1.4
64.33591	1.1
65.03948	1.3
67.05495	6.1
69.03415	12.1
72.48950	1.2
79.05491	19.2
81.03390	1.6
81.07054	78.7
82.07404	1.6
83.04986	3.0
85.02891	2.5
91.05475	18.6
93.07046	11.1
95.04953	6.4
95.08636	3.4
97.02905	4.4
97.06519	4.0
98.22545	2.1
103.05450	1.6
105.03407	1.8
105.07030	17.1
107.04961	3.3
107.08608	4.6
109.06516	32.4
111.04438	4.1
111.08129	1.8
113.02372	2.3
115.05479	5.7
117.07007	14.8
119.04977	1.7
119.08576	9.5
121.06549	6.2
121.10129	1.5
123.04411	2.9
123.08070	4.2
125.05996	3.0
128.06209	13.3
129.07002	21.1
130.07790	2.9
131.04932	3.3
131.08565	15.4
133.06505	4.9
133.10138	7.7
135.04373	1.8
135.08049	3.5
137.05975	100.0
138.06313	1.8
139.07556	3.8
141.06996	11.7
142.07791	9.2
143.08569	30.9
144.09247	1.1
145.06493	6.3
145.10115	13.3
146.07295	2.6
147.08044	8.8
147.11700	2.1
149.05975	11.8
149.09633	3.4
151.05093	1.2
151.07585	2.2
153.05524	2.6
153.07008	5.5
154.07779	9.3
155.08540	18.6
156.09302	4.2
157.06491	4.4
157.10095	11.5
158.07304	4.6
159.08043	16.4
159.11662	6.0
160.08813	5.0
161.05991	1.9
161.09599	12.6
161.13234	2.0
163.07573	3.3
165.05615	2.1
165.06934	5.7
165.09143	1.3
166.07890	5.9
167.07259	2.0
167.08582	7.3
168.09312	8.0
169.06499	3.1
169.10124	16.9
170.07236	1.4
170.10901	1.9
171.08058	10.7
171.11691	11.6
172.08818	2.3
173.09601	12.2
174.10396	1.4
175.07602	4.3
175.11223	3.8
177.09161	3.6
178.07841	1.5
179.07111	2.0
179.08553	5.1
180.09299	2.8
181.10126	15.8
182.10889	1.5
183.08075	5.1
183.11708	7.8
184.08853	4.1
185.06067	1.5
185.09602	17.2
186.10426	2.6
187.07533	6.0
187.11179	19.1
188.12012	3.9
189.09117	13.0
189.12627	6.2
191.07068	2.8
191.08620	2.9
191.10693	1.4
192.09398	1.8
193.08682	6.3
193.09920	6.1
195.08015	4.5
195.11765	4.5
196.08861	2.6
197.09590	6.5
197.13287	2.2
199.07567	4.7
199.11150	11.7
199.81993	1.2
200.11731	1.4
201.09106	6.1
201.12738	12.5
203.08774	1.7
203.10706	4.4
205.08632	3.5
205.10298	2.8
206.10959	3.6
207.11736	5.1
209.09644	8.5
209.13243	4.2
210.10405	2.1
211.11198	4.4
211.14690	2.6
213.09116	4.8
213.12766	3.5
215.08795	1.5
215.10748	3.6
217.08437	2.2
217.10274	2.6
217.12285	4.3
218.10881	2.5
219.10126	4.2
219.11908	2.6
220.08952	1.8
221.09563	3.3
221.13260	3.3
222.10423	3.0
223.07501	1.3
223.11166	6.6
223.14845	1.4
225.09169	2.0
225.12776	4.8
226.09955	1.6
227.10677	17.3
227.14328	2.6
228.11298	1.6
229.08516	2.6
229.12247	1.6
231.09987	2.7
231.11949	2.5
232.12463	1.8
233.09743	2.6
233.13347	2.9
234.10344	2.7
234.14120	1.7
235.11156	4.9
235.14885	1.8
236.11909	1.4
237.09117	2.9
237.12708	5.6
239.10660	3.8
239.14351	4.8
241.12247	3.1
241.16022	1.9
243.11876	2.2
245.11610	10.7
247.11183	3.9
248.11880	2.3
249.09123	1.9
249.12747	8.7
250.13638	1.9
251.10684	2.9
251.14267	3.9
253.12250	3.7
255.10214	3.5
255.13860	3.1
259.11111	1.8
260.11948	2.8
261.12827	4.4
262.13449	1.9
263.10666	3.7
265.12079	5.7
266.12827	1.8
267.13806	6.7
268.14661	2.7
269.15536	1.9
271.13293	1.2
272.11993	1.4
275.10818	1.5
275.14236	1.6
277.12283	3.9
278.12912	1.6
279.13889	2.4
281.11838	2.6
283.13641	1.7
285.14890	2.7
287.14285	1.6
289.12317	1.3
289.15845	1.7
291.13895	2.4
295.13303	2.3
305.11771	2.0
309.11432	1.2
315.16193	1.6
317.15445	1.4
324.05588	1.2
335.16449	1.5
341.14313	1.3
347.16608	1.3
359.15451	1.3
361.17850	2.1
369.18375	1.5
373.18060	1.7
374.18692	1.8
375.19824	1.5
377.16928	1.7
387.19513	3.9
391.19122	5.3
393.20782	1.9
395.78329	1.2
397.17834	2.7
401.17355	2.0
405.20535	3.8
409.20264	3.2
415.19083	12.1
417.20828	2.4
419.18735	4.4
421.20117	25.9
422.20654	2.4
423.21597	14.1
427.19409	1.3
431.18729	6.0
432.19250	2.7
433.20059	18.8
435.21719	6.8
437.19693	4.3
443.18271	7.9
445.20111	15.6
449.19675	7.4
451.21127	33.3
452.21469	4.3
453.22659	1.7
461.19519	34.4
462.19873	3.5
463.21082	17.9
464.21298	1.8
465.18866	1.5
467.20752	10.7
469.22202	7.2
471.18063	6.0
479.20746	20.5
480.20944	3.2
481.22324	6.4
485.21762	2.7
489.19064	32.5
490.19305	3.8
497.21658	40.5
498.21881	5.3
499.23016	2.3
507.20099	44.8
508.20264	4.6
515.22668	7.0
525.21149	62.0
526.21564	7.8
539.34351	1.3
543.22107	4.4
561.21252	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2328
Annotation	Lancifodilactone E
Peak:m/z	Relative Intensity
53.03947	1.5
53.36708	1.1
55.01863	1.7
55.05510	1.2
67.05502	2.5
69.03430	7.6
69.08511	9.4
79.05488	11.0
81.07056	46.7
91.05485	9.7
93.07026	4.4
95.04972	6.0
95.08610	2.9
97.02878	2.0
98.22598	2.3
103.05460	2.7
105.07025	8.3
107.04931	2.0
107.08597	2.0
109.06510	17.8
111.04448	3.1
111.08087	2.4
113.02402	1.4
115.05438	3.3
117.07029	7.6
119.04959	1.7
119.08585	3.8
121.06510	5.2
123.04391	0.9
123.08050	1.6
128.06201	4.4
129.07014	11.9
130.07793	1.0
131.04942	2.7
131.08582	9.1
132.05716	3.8
133.06490	9.0
133.10132	2.7
135.04465	1.6
135.08038	2.8
137.05971	58.9
139.07578	1.3
141.06987	3.8
142.07764	2.5
143.08575	7.6
145.06480	12.9
145.10110	12.7
146.07198	3.2
147.08049	7.4
147.11732	1.3
149.05981	4.4
149.09576	2.2
151.07509	1.9
153.07024	3.5
154.07755	2.8
155.08546	8.0
157.06459	2.2
157.10068	5.6
158.07220	2.4
159.06776	1.8
159.08051	27.3
159.11623	2.4
160.08643	1.6
161.06023	2.8
161.09573	5.7
163.07516	4.3
165.05511	1.9
165.07013	3.3
165.09128	1.6
167.08574	2.8
169.10106	6.0
171.08044	8.2
171.11670	3.0
172.08784	3.2
173.05981	1.9
173.09619	44.2
174.10156	1.7
175.07535	5.2
175.11151	3.2
177.09027	2.2
179.07132	1.5
179.08542	3.3
180.09299	2.3
181.08690	1.5
181.10083	7.0
183.08052	3.0
183.11732	2.1
184.08887	1.7
185.06004	2.0
185.09607	13.6
186.06775	4.8
187.07558	5.8
187.11179	24.3
188.11674	1.5
189.09081	7.7
189.12709	2.3
191.06999	2.4
192.09309	1.5
193.08582	3.7
193.10054	2.0
195.08058	2.8
195.11725	2.4
197.09644	5.5
197.13237	1.7
198.06705	1.1
198.10406	1.5
199.07524	4.5
199.11180	8.4
200.08484	1.0
201.09129	9.2
201.12721	2.2
203.06926	1.9
203.08739	1.0
203.10640	3.1
205.08574	3.4
205.10272	1.3
207.09982	1.8
207.11693	2.8
208.08850	1.8
209.09602	5.1
209.13245	1.8
210.10248	1.2
211.07567	2.3
211.11156	5.2
213.09113	4.8
213.12694	2.5
215.10692	2.9
217.08528	2.7
219.08275	1.4
219.09897	4.8
221.09689	2.0
223.11182	4.3
224.11821	1.4
225.09131	4.3
225.12744	4.5
227.07071	1.7
227.10677	8.6
227.14211	2.1
229.08614	4.0
229.12224	1.4
233.09708	1.6
233.11713	10.3
234.10315	1.2
235.11185	3.9
237.09128	3.8
237.12723	5.3
239.10631	4.3
239.14282	2.3
241.12201	3.9
243.09995	2.3
245.11780	3.1
247.11128	2.2
248.11983	1.5
249.09027	1.9
249.12654	3.7
250.09898	2.0
251.10645	7.4
251.14430	1.4
252.11359	2.8
253.12251	4.0
254.12932	1.2
255.10147	2.8
255.13792	2.1
261.12845	1.7
263.10785	2.6
263.14258	1.5
265.12250	5.4
266.12952	1.8
267.09897	1.6
267.13843	2.4
269.11725	4.4
270.12558	1.8
279.13989	2.0
281.11426	1.2
283.13297	2.0
284.14487	1.2
287.14020	1.0
289.12405	1.2
293.11835	1.4
295.13281	1.8
297.11316	1.4
301.15756	1.5
303.13702	2.1
305.15207	1.9
307.13171	1.3
311.12823	1.9
315.13461	1.1
317.15240	1.1
319.16858	1.4
329.14999	3.0
343.16913	1.4
347.16461	6.0
357.14645	2.8
361.17911	3.1
365.17834	1.4
371.16284	3.3
373.18164	1.7
375.15826	3.4
377.17374	1.7
389.17468	9.9
399.15457	6.6
401.17694	1.2
403.18896	2.1
407.18494	22.4
408.18646	1.3
417.16904	25.6
418.17239	2.7
419.18475	9.3
421.20029	11.9
422.20129	1.4
429.16882	3.4
431.18445	6.6
433.20078	2.7
435.17957	54.6
436.18500	5.0
437.19540	8.0
439.21054	2.2
443.18481	1.8
447.18082	10.3
449.19592	11.5
451.21106	1.4
453.19025	22.2
459.17822	2.1
461.19464	4.8
463.21066	3.2
465.18872	7.1
467.20621	23.2
468.21265	1.8
471.18823	3.5
477.18942	6.7
479.20819	7.4
483.20126	1.5
489.19022	23.5
490.19211	2.1
495.19916	5.3
497.21664	5.4
501.20847	2.8
507.20120	42.1
508.20328	3.3
513.20880	1.8
525.21173	100.0
526.21637	9.8
527.22546	1.5
543.22192	14.8
561.23096	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2329
Annotation	19-Hydroxy-10-deacetylbaccatin III
Peak:m/z	Relative Intensity
51.06319	1.9
51.49647	1.7
53.03958	3.0
55.01882	3.6
55.05525	1.9
57.03423	2.6
66.35152	1.7
67.05507	7.2
69.03432	14.2
72.04485	1.4
79.05496	16.6
81.07056	75.6
82.07314	1.6
83.04972	4.2
91.05482	19.2
93.07041	12.2
95.04950	8.9
95.08591	6.2
97.02878	3.7
97.06529	5.9
105.07041	14.3
107.04966	4.8
107.08600	5.6
109.06512	38.7
111.04456	3.4
111.08087	8.5
115.05473	3.4
116.06274	1.8
117.07017	17.9
119.04909	1.6
119.08576	11.5
121.06480	11.3
121.10158	3.4
123.04429	2.3
123.08044	18.7
125.09662	1.9
128.06183	9.8
129.07013	11.9
130.07785	2.0
131.04893	4.7
131.08560	18.9
133.06476	5.3
133.10136	9.0
135.04434	2.7
135.08070	11.9
137.05971	100.0
138.06364	1.9
139.07535	6.9
141.06995	7.3
142.07780	7.1
143.08553	28.3
145.06477	8.3
145.10118	11.0
146.07265	3.2
147.08060	12.2
147.11642	3.5
149.05969	5.0
149.09610	6.7
151.07582	2.9
153.05443	4.1
153.07007	2.7
154.07765	4.7
155.07405	2.1
155.08543	13.1
156.09344	2.8
157.06485	4.9
157.10107	13.9
159.08044	22.4
159.11690	6.6
160.08740	3.9
161.05951	3.7
161.09601	16.6
163.07552	7.5
165.05589	3.1
165.07025	5.9
165.09041	2.4
166.07738	4.0
167.07089	2.8
167.08577	6.3
168.09319	2.4
169.10094	11.1
171.08040	8.7
171.11731	6.3
172.08806	2.9
173.06035	2.8
173.09613	16.8
173.13293	2.2
175.07582	8.9
175.11188	4.3
177.09145	5.5
178.07782	2.6
179.07103	2.2
179.08585	4.6
179.10760	1.9
180.09320	3.0
181.06442	2.8
181.10078	12.5
183.08069	4.4
183.11736	5.7
184.08907	1.8
185.09570	15.8
185.13359	1.6
186.10222	2.7
187.07539	6.5
187.11186	20.9
188.11917	2.8
189.05437	2.1
189.09119	17.1
189.12794	3.6
191.07019	3.4
191.10692	2.3
193.08595	3.2
193.10172	6.2
194.10942	3.6
195.08046	4.8
195.11688	3.9
197.09613	6.2
197.13240	2.8
199.07520	5.3
199.11139	11.8
201.09155	10.4
201.12747	9.4
203.07045	4.4
203.10583	8.1
205.08517	7.7
205.10254	2.3
205.11986	1.9
206.10951	2.6
207.10092	4.2
207.11758	4.9
209.09601	8.5
209.13306	6.3
210.10239	2.4
211.07607	3.7
211.11212	10.9
213.09167	7.1
213.12656	4.1
215.10687	4.4
217.08600	6.1
217.12279	4.1
219.06459	3.6
219.10115	6.5
219.11923	3.1
221.09666	2.8
221.13297	3.7
222.10448	1.9
223.11154	6.3
225.09180	3.7
225.12712	7.3
227.10690	12.8
229.08511	2.5
229.12201	3.4
231.10068	4.3
233.11758	6.9
235.11224	5.8
236.11972	3.0
237.09196	3.7
237.12752	6.7
239.10716	5.7
239.14346	3.3
241.08734	2.1
241.12172	3.7
243.10127	3.1
243.13977	2.0
245.11783	7.5
247.11276	4.0
249.09099	2.4
249.12692	6.4
250.09901	1.7
250.13449	2.1
251.10712	3.9
251.14270	3.7
253.12212	8.7
255.10092	2.2
255.13722	3.3
261.12717	3.5
263.10764	4.3
264.11542	3.5
265.12195	6.4
267.09906	2.6
267.13864	5.4
271.13181	2.5
277.12204	3.8
277.15628	2.2
279.13968	3.9
281.11774	5.2
281.15292	2.4
283.13339	4.4
285.14624	2.3
291.13812	3.2
293.11707	1.7
295.13351	2.6
297.14798	2.6
305.11826	2.6
305.15222	2.9
311.12903	3.3
319.16870	2.4
323.12607	3.7
325.14441	2.5
359.15030	3.7
365.17487	2.5
375.19727	3.4
377.16745	3.1
391.18936	4.9
393.20917	3.2
397.17804	1.9
403.18930	5.4
405.20566	2.5
407.18488	6.1
409.20032	3.9
411.22122	2.0
415.18982	6.8
417.16614	2.5
419.18616	6.4
421.20230	22.9
422.20764	2.7
423.21738	14.1
425.23434	2.2
427.19302	2.2
429.17014	2.8
431.18555	9.0
433.20163	13.8
435.17639	5.4
435.22382	3.7
437.19550	6.4
438.20135	2.2
439.21118	7.3
443.18384	4.0
445.19992	5.3
447.17798	6.2
449.19739	22.3
450.19745	2.8
451.21051	22.9
452.21185	2.0
453.18204	2.8
453.23511	2.1
455.25095	3.0
461.19592	16.2
463.21103	14.5
465.19098	11.9
467.20663	45.8
468.21042	2.8
469.22037	8.7
471.17944	4.0
471.23941	2.1
477.18811	4.5
479.20700	15.5
481.22305	21.0
483.20044	15.1
484.20328	2.2
485.21539	5.1
489.19128	15.8
495.20010	13.3
497.21603	23.7
499.23248	33.9
500.23538	1.9
501.21185	49.1
502.21390	5.2
507.20157	36.5
507.27258	1.4
508.20361	2.3
509.21671	3.4
513.20850	5.1
515.22711	7.2
525.21173	70.5
526.21411	6.8
527.22803	3.2
543.22168	48.9
544.22382	4.1
561.23206	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2822
Annotation	7-Methoxydeoxymorellin
Peak:m/z	Relative Intensity
53.03944	1.0
55.01871	0.5
55.05511	2.6
57.03425	0.4
65.03946	0.6
67.05505	9.8
69.07069	2.3
69.16184	3.0
71.04994	7.1
79.05495	7.9
81.03428	0.4
81.07059	11.3
81.07528	0.7
83.04984	1.3
83.08620	1.1
84.15063	0.4
85.06557	0.8
91.05482	7.3
91.13367	0.3
93.07045	7.7
95.04971	1.2
95.08604	4.5
97.06535	1.0
97.10145	0.3
105.07027	4.2
107.08595	4.4
109.10164	1.6
117.07039	1.5
118.13551	0.3
119.08574	1.8
121.10160	2.7
123.11720	3.0
123.74598	0.3
127.83601	0.4
129.06905	0.4
131.08562	2.0
133.10135	3.9
135.11690	1.9
145.10152	1.4
147.11731	0.9
149.13271	1.8
151.11234	2.0
152.45842	0.4
159.11711	1.7
173.13348	0.5
177.05557	0.5
177.12775	0.9
178.05823	0.5
183.13821	2.7
187.13309	0.4
195.13864	0.7
219.96677	0.4
222.46913	0.5
261.22153	0.6
285.17004	0.6
335.25851	0.5
363.12234	0.6
363.25253	0.5
377.13544	9.2
378.14236	0.8
393.12799	2.5
394.13696	0.6
395.14740	1.2
408.15353	2.9
409.16321	2.4
418.16403	0.9
455.34991	0.4
490.65228	0.4
517.39063	2.6
529.39111	0.8
561.28198	100.0
561.40588	5.2
562.28595	11.5
562.41388	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26881	0.3
53.03941	3.2
55.01876	3.9
55.05512	15.3
57.03438	6.7
57.07075	2.0
57.32476	0.4
57.69972	0.3
65.03944	2.6
66.49027	0.4
67.05506	46.0
68.05843	0.8
69.03419	2.4
69.07067	11.5
71.04994	3.4
71.08643	0.9
73.02917	1.1
77.03936	1.0
79.05495	40.1
80.05857	0.8
81.03421	3.2
81.07056	48.8
82.07395	1.2
83.04985	4.2
83.08619	10.1
85.06538	1.4
91.05482	18.0
92.05766	0.7
93.07043	56.0
94.07368	1.2
94.81074	0.4
95.04972	8.8
95.08606	57.0
96.08942	1.4
97.02901	3.2
97.06524	4.3
97.10155	2.5
98.22985	2.2
99.04446	3.8
99.08096	1.5
103.05468	0.9
105.04507	1.4
105.07039	14.8
105.07742	0.9
107.04282	0.3
107.04955	8.5
107.08595	35.7
108.08898	0.9
109.06512	2.2
109.10150	13.6
111.04450	1.4
111.08069	2.0
113.05997	0.8
113.09662	0.7
115.05414	0.8
117.07019	10.9
118.07310	0.5
119.08577	16.4
120.08951	0.4
121.06511	4.9
121.10142	19.8
122.10471	0.4
123.08067	1.1
123.11717	5.5
125.06002	2.7
125.09659	0.9
127.07568	0.5
128.06215	0.6
129.07016	1.5
130.07805	1.9
131.08562	6.3
133.10130	8.1
134.10504	0.4
135.08066	2.9
135.11693	48.8
136.12038	1.6
137.05962	0.4
137.09647	0.7
137.13229	2.1
139.07539	1.5
139.11130	0.8
143.08562	1.8
145.06512	0.9
145.10120	28.1
146.10480	1.0
147.08067	0.5
147.11714	3.8
149.09627	1.0
149.13260	4.7
151.11223	0.5
151.14825	0.6
153.12758	1.0
155.08521	0.7
157.10211	0.6
159.11682	4.0
161.13261	3.2
163.11180	53.4
163.14813	3.0
164.11516	2.2
171.11765	0.7
173.09639	0.8
173.13264	3.1
175.14839	1.7
177.12779	0.7
177.16461	0.7
181.12231	12.2
187.14856	1.9
191.14276	0.4
201.16441	1.0
209.11690	2.2
209.64775	0.4
227.12776	100.0
228.13162	3.9
233.22702	0.6
242.74832	0.4
243.21092	4.4
257.19119	0.4
257.52036	0.4
261.22147	18.4
262.22574	1.1
267.15915	0.5
277.21646	1.1
279.23166	1.3
283.15396	38.6
284.15704	1.8
293.21176	0.6
299.23758	1.2
317.24756	5.5
318.25174	0.4
332.12665	0.4
335.25800	52.2
336.26135	4.1
469.33130	1.5
543.36792	26.0
544.37201	2.7
549.62976	0.4
561.37891	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.9
55.34860	0.3
57.03426	0.7
57.07064	0.8
67.05490	1.4
69.07069	2.1
70.20571	0.6
71.08630	0.6
79.05486	0.9
81.07048	1.2
83.08611	1.2
89.03401	0.5
89.03919	6.7
91.05470	0.6
93.07035	1.1
95.08610	1.6
97.10154	0.4
105.07032	0.4
107.08595	0.6
107.40488	0.3
109.10139	0.5
117.03383	15.5
119.08572	0.4
121.10146	0.6
134.03615	1.1
135.04459	1.8
135.11743	0.4
137.06009	0.3
145.02849	38.4
146.03255	0.8
149.05994	5.1
158.06053	0.4
162.03116	0.8
163.03867	0.9
177.05467	100.0
178.05800	3.3
186.05486	2.0
195.06459	1.4
215.57271	0.3
233.08185	0.4
236.10457	0.3
333.74280	0.3
561.24829	3.7
561.37756	3.5
562.25275	0.6
562.38727	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.05516	1.8
57.03430	0.8
57.88933	0.8
60.47811	0.7
65.03929	1.6
66.61695	0.7
67.05497	3.5
69.03427	9.9
69.07077	0.9
69.13091	5.0
72.05657	0.8
79.05501	13.5
81.07059	83.3
82.07390	1.7
83.04974	1.9
83.08583	0.9
85.02914	1.2
91.05474	7.7
92.02373	0.7
93.07052	3.5
94.00812	0.7
95.04964	6.7
95.08604	2.9
96.09010	0.8
97.02901	1.4
97.06538	0.8
105.07028	6.7
107.04922	1.0
107.08606	4.7
108.04184	0.8
109.02922	1.1
109.06512	23.1
109.10156	2.7
111.04483	1.0
111.08110	0.9
115.05432	1.1
117.07027	3.2
119.04962	1.7
119.08578	5.6
121.06510	3.8
121.10164	1.8
123.04404	1.1
123.08055	3.6
128.06248	0.9
129.06999	3.9
130.07782	0.9
131.08601	4.0
133.06432	1.9
133.10136	3.6
135.08031	5.6
137.05978	100.0
138.06302	1.9
139.07562	1.5
141.06995	1.6
142.07735	1.8
143.08565	5.6
145.06487	3.8
145.10095	4.3
147.08034	6.3
147.11678	1.9
149.09579	2.3
151.07555	1.2
153.05437	1.2
153.07027	1.0
154.07710	1.2
155.08546	3.9
156.09410	1.2
156.24625	0.7
157.10117	4.2
159.08049	3.5
159.11693	2.8
160.08861	1.2
161.06021	1.4
161.09631	3.5
163.07507	4.3
163.11174	1.7
165.05559	1.1
165.06985	1.6
167.07181	1.1
167.08560	1.2
168.09320	1.7
169.10112	4.7
171.08049	3.3
171.11737	1.9
173.06009	1.4
173.09607	7.1
173.13252	1.1
174.10255	1.4
175.07515	2.2
175.11156	10.7
176.11534	0.8
177.09142	1.5
179.07056	1.3
179.08565	1.7
179.51718	0.8
180.12035	0.8
181.08575	3.4
181.10141	2.6
183.08040	1.2
183.11703	3.4
185.09634	3.9
185.13112	1.5
187.11171	3.1
189.09114	5.2
189.12730	2.4
191.07007	1.9
191.10631	0.9
193.10132	2.6
195.08040	0.9
195.11653	2.4
197.09554	1.7
197.13268	2.6
199.07549	0.8
199.11166	2.3
201.09129	2.4
201.12738	2.0
203.10666	4.7
207.11768	1.2
207.86891	0.8
209.09651	1.1
209.13287	1.7
211.07697	0.7
211.11208	4.6
213.09146	2.2
213.12685	2.0
215.10680	1.4
215.14264	1.0
217.08598	2.2
219.10136	4.9
219.11992	1.1
219.13857	0.9
221.13290	1.4
223.11241	1.5
225.09142	1.0
225.12778	3.3
227.10873	1.4
227.14322	2.1
229.12297	1.1
231.10181	12.6
237.12848	1.5
239.10710	1.2
239.14427	1.5
241.12260	1.3
243.13936	1.7
249.12593	0.8
250.88016	0.7
251.14238	1.7
253.12180	1.9
254.12871	0.8
255.13893	2.0
259.13315	1.5
263.14221	1.0
265.12122	1.0
267.13821	1.7
271.13242	9.2
279.13974	0.9
281.15350	1.8
283.13290	3.1
283.62711	0.8
285.14780	1.2
297.14896	3.4
301.14407	2.6
313.14523	1.6
315.15897	1.6
317.13983	1.4
317.17429	0.8
343.15591	3.8
345.17093	1.3
348.95837	0.8
365.23294	1.2
371.18689	6.3
373.16443	6.9
377.21524	0.9
389.15869	1.3
391.17566	2.0
405.20679	5.5
407.22177	7.6
408.22537	1.0
409.20020	1.6
419.18512	3.4
421.19678	1.3
433.20258	5.2
435.21848	1.4
437.19543	3.1
437.24329	1.2
445.20013	2.1
447.22150	0.9
449.19431	1.1
451.21191	17.5
452.21341	1.5
453.22867	1.4
455.20667	1.0
463.21078	9.2
465.22968	1.7
467.20734	3.6
479.20483	3.5
481.15411	1.7
481.22208	32.3
482.22516	3.7
485.21634	1.4
491.20071	4.3
499.23312	14.2
500.23514	1.7
509.21512	6.9
510.21872	0.9
527.22607	6.1
562.25549	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31302	2.2
54.10487	2.1
57.88713	2.8
65.03948	2.3
67.05501	5.3
67.56635	2.5
69.03421	12.7
69.38390	4.5
69.38799	11.0
79.05470	7.0
81.07070	18.0
83.05017	2.6
91.05470	11.4
93.07041	11.4
95.04974	7.0
95.08585	7.9
97.06525	4.5
105.06998	14.0
107.08636	4.0
109.06512	24.8
111.04463	2.3
111.08075	8.7
115.05455	2.9
115.37004	2.2
117.07037	6.9
119.05024	2.3
119.08563	10.5
121.06483	11.5
121.10089	3.0
129.06990	7.6
131.08566	8.9
133.06485	6.5
133.10139	5.5
135.08067	4.9
137.05957	28.8
137.09657	2.6
139.07582	6.0
141.06989	3.9
142.07790	2.5
143.08548	11.9
145.06558	4.7
145.10098	8.8
147.08022	7.3
149.05977	5.2
149.09616	4.0
153.05434	3.2
155.08525	6.1
157.10088	4.6
159.08008	14.5
159.11674	4.0
161.05974	30.0
161.09596	10.2
163.07588	3.4
167.08597	3.2
169.10123	7.3
171.08041	6.2
171.11690	2.7
173.09637	11.2
175.07553	4.4
175.11166	6.5
179.08444	3.4
181.10129	4.6
183.08023	2.6
183.11652	4.0
185.09573	8.5
185.13248	2.8
187.07565	4.9
187.11148	6.2
189.09111	10.1
193.08508	2.8
195.08084	3.3
195.11761	3.4
197.09555	5.9
199.07523	2.7
199.11201	5.0
201.09187	7.3
201.12791	4.1
205.08519	4.9
211.11165	6.0
213.09061	4.9
213.12695	4.5
215.10609	3.2
219.10155	2.9
221.09441	2.4
221.13429	3.3
223.11061	3.7
225.09207	3.7
225.12741	3.1
227.10695	3.8
227.14458	2.9
229.08519	2.8
235.11238	5.2
237.12646	6.8
239.10684	3.1
242.87680	2.6
249.12886	3.5
251.10661	4.8
253.12224	18.5
254.12978	3.7
255.13792	3.0
263.14420	2.5
265.12225	2.5
267.13763	5.4
287.14365	3.3
289.15677	2.4
315.01297	2.9
331.16837	2.9
345.18301	4.1
363.19431	7.4
373.18033	7.6
391.18958	28.0
392.19342	6.0
401.17368	7.8
403.19012	5.5
409.20090	27.6
410.19998	4.3
417.78909	2.6
419.18253	19.9
420.18851	2.6
421.20160	11.3
422.20535	4.0
427.19266	2.6
433.19864	3.4
434.20163	3.0
435.21558	2.9
437.19467	100.0
438.19827	12.5
439.21094	5.4
445.20175	3.4
447.21481	4.6
449.19473	33.2
450.19849	4.5
451.20856	6.8
452.21851	4.7
455.20886	25.5
462.19632	3.8
463.21014	23.7
464.21283	6.5
465.22729	18.5
466.22943	4.1
467.20703	71.6
468.21106	11.7
473.19189	3.9
479.20593	13.0
480.21243	5.7
481.22238	8.5
483.23615	7.6
485.21558	32.4
490.09070	2.6
490.19229	3.3
491.20682	13.2
497.21509	3.8
498.22293	17.5
499.23282	27.8
500.23285	6.9
508.20517	6.8
509.21744	27.0
516.22852	7.4
526.21716	13.3
527.22760	65.0
528.22968	6.0
544.22601	6.2
545.24139	6.9
562.25952	29.5
562.33081	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.6
53.06884	1.4
58.76616	1.3
69.03429	7.2
79.05495	11.5
81.07056	81.0
91.05474	6.1
93.07038	3.8
95.04974	6.0
95.08593	2.1
97.02923	2.5
97.49907	1.2
105.07034	4.9
107.08556	2.3
109.06519	24.4
111.04465	1.7
117.06949	3.1
119.08601	3.7
121.06527	2.7
129.07027	3.9
131.08615	4.3
133.06488	3.9
133.10129	2.9
135.04436	2.2
135.08031	2.8
136.80025	1.3
137.05978	100.0
138.06296	3.6
139.07593	1.9
142.07768	3.6
143.08546	2.8
145.06497	4.8
145.10123	3.5
146.07214	2.2
147.08072	5.0
149.05930	2.0
149.09605	2.1
153.05460	1.8
155.08565	5.3
157.10130	5.7
159.08055	4.3
159.11601	1.8
161.05957	2.3
161.09642	5.5
163.07564	1.9
165.06966	1.7
167.08562	2.3
169.10123	3.9
171.08087	2.4
171.11572	1.6
173.09619	3.5
175.07610	1.5
175.11183	25.1
181.10133	2.6
182.10960	1.7
183.07971	1.8
183.11687	3.1
185.09596	3.3
185.13194	1.9
187.07533	2.2
187.11197	5.8
189.09082	3.1
192.09256	2.1
193.08502	1.7
193.10158	2.9
195.08026	2.4
197.09676	3.1
197.13356	1.7
199.11154	2.2
201.09105	2.0
203.10696	1.7
207.11646	2.3
209.09633	2.6
210.10342	1.8
211.11243	4.6
213.09116	9.3
213.12723	1.7
215.10677	2.1
223.11200	2.7
225.09113	1.7
225.12691	6.9
227.10757	2.8
227.14230	1.8
235.11168	1.6
237.12762	4.3
238.72383	1.3
239.10693	5.3
243.14023	1.7
247.11249	2.5
251.10583	1.5
251.14316	2.0
253.12193	17.6
254.13051	13.1
255.13803	5.2
263.14410	1.7
265.12201	3.1
267.10144	2.2
267.13705	3.7
271.13174	1.9
281.11700	1.9
281.15207	2.3
282.12485	5.7
283.13235	3.5
291.13947	2.3
313.14343	2.1
355.16006	1.5
363.19421	1.6
373.17606	3.9
391.19113	6.0
401.17459	6.3
409.20050	22.4
419.18481	76.2
420.18759	6.1
421.19864	7.7
423.21704	2.5
431.18570	2.3
433.20126	9.6
435.21844	3.8
437.19556	57.1
438.19904	5.5
439.20966	2.7
445.20340	1.7
447.21249	1.7
449.19757	9.0
451.21017	10.9
453.23209	2.0
455.20279	2.7
461.19400	3.6
463.21030	2.0
465.22629	4.9
467.20602	13.6
479.20486	13.5
480.20898	2.5
481.22269	9.4
483.23532	2.3
485.21710	2.7
491.20715	18.6
492.20926	3.2
499.23026	3.0
509.21732	23.2
510.21896	2.4
527.22784	18.0
528.22925	2.9
562.26477	13.0
563.26331	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
65.03957	1.3
67.05491	1.8
67.94056	1.3
69.01043	10.5
69.03432	6.8
79.05499	13.0
81.07054	79.6
82.07416	1.3
91.05503	5.2
93.07056	2.5
95.04968	3.9
95.08610	2.0
98.22639	3.4
102.77446	1.2
105.07043	4.2
106.42452	1.2
107.04967	1.9
107.08588	2.2
109.06514	25.3
112.66522	1.3
117.07014	3.9
119.08639	1.4
121.06529	2.6
123.04498	1.8
129.07050	2.1
131.08607	3.8
133.06500	3.6
135.08069	3.4
137.05977	100.0
138.06293	2.7
142.07765	2.3
143.08565	3.5
145.06528	5.4
145.10188	2.4
147.08066	3.6
155.08565	2.9
157.10179	2.9
159.08046	8.4
161.09662	3.6
163.07559	3.2
167.08531	1.7
169.10092	2.0
171.08005	2.2
173.09650	7.8
175.11226	3.1
179.07089	1.5
181.10161	1.5
183.11627	2.3
185.09627	3.6
187.11235	2.2
189.09201	3.3
191.07043	1.6
193.10175	1.6
195.11664	2.1
197.09634	1.7
199.11153	3.2
201.09259	1.3
203.10658	2.6
209.09717	1.5
211.11197	4.1
213.09084	1.6
213.12750	3.7
219.10172	4.2
225.12749	2.5
227.10628	1.3
231.10185	4.7
237.12675	1.4
239.14417	1.7
245.11707	1.8
247.11180	1.4
253.12155	2.3
254.13048	3.0
255.13702	3.4
265.12390	1.9
283.13510	1.4
301.14340	4.0
307.16946	1.3
313.14383	1.6
331.15381	7.1
355.15134	2.3
365.96600	1.6
373.16583	7.0
391.18796	21.7
392.19376	2.8
403.19144	1.9
419.18478	4.9
421.20200	2.7
433.20020	2.9
437.19510	23.0
438.19760	1.9
449.19516	4.4
451.21021	5.5
463.21228	4.7
467.20593	16.6
468.21002	3.0
479.20587	6.9
481.22214	4.5
485.21814	1.9
496.20328	1.7
497.21344	3.8
509.21793	5.4
527.22351	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01871	0.9
67.05505	3.1
69.03423	10.1
69.80218	2.7
71.63146	1.0
79.05492	17.0
81.03445	0.9
81.07057	91.4
82.07391	2.5
82.72131	0.9
83.04996	1.1
91.05496	3.8
93.07049	2.6
95.04978	4.1
95.08575	2.6
105.07040	4.2
107.08607	2.7
109.06513	29.1
117.06977	1.2
119.04958	1.3
119.08601	2.0
121.06497	2.0
121.10165	0.8
123.08066	2.5
129.07007	1.6
130.07773	1.3
131.08562	3.7
133.06496	2.4
133.10118	1.2
135.08041	1.6
137.05972	100.0
138.06314	2.4
141.06982	0.9
142.07761	2.1
143.08568	2.4
145.06462	2.4
145.10110	2.3
145.32680	0.9
146.07231	0.9
147.08025	3.1
149.09612	2.1
151.07521	1.4
155.08560	2.7
157.10159	2.6
159.08060	10.1
160.08838	1.6
161.09663	2.1
163.07544	1.5
167.08493	1.7
169.10127	2.8
171.08026	2.6
172.08781	1.1
172.58235	1.0
173.09628	3.9
174.10423	2.7
175.07611	1.0
175.11153	3.3
181.10085	1.4
183.08102	1.6
183.11673	1.7
185.09668	2.9
187.07587	1.3
187.11139	1.8
189.09125	3.4
193.10204	1.7
195.08113	1.1
195.11612	1.1
197.09650	2.1
199.11201	2.7
201.09119	2.4
201.12862	1.3
203.10791	1.7
209.13066	1.1
211.11230	2.9
213.09190	1.8
213.12712	1.6
215.10553	1.4
217.08636	1.9
219.10136	7.0
220.10878	2.4
223.11166	1.1
225.12682	1.5
227.14368	1.6
231.10190	2.5
237.12593	1.1
239.14333	1.6
253.12309	1.8
255.13864	2.2
256.99460	1.0
263.14328	1.5
265.12213	1.2
267.13712	1.4
269.50098	1.0
283.13232	1.2
283.16931	1.3
292.40628	0.9
295.13193	1.1
297.14844	3.5
301.14346	2.1
309.14752	1.7
313.14340	2.1
315.15646	1.2
327.15683	1.1
329.17224	1.0
331.15338	2.7
343.15396	7.6
355.15338	8.8
356.15579	0.9
358.54852	0.9
359.14813	1.0
360.15363	1.5
361.16550	1.3
373.16449	7.3
390.16696	2.3
391.17535	7.4
401.17343	1.0
419.18369	9.4
420.18784	1.2
431.18454	2.0
433.20230	2.3
437.19580	21.6
438.19540	1.9
447.21396	2.0
449.19485	7.3
451.21109	6.0
461.19366	1.7
463.21066	3.1
467.20639	8.7
473.19321	1.4
479.20688	5.2
481.22046	1.2
485.21527	1.6
491.20682	8.1
497.21790	12.1
498.22086	1.6
509.21600	12.3
510.22043	1.3
527.22705	12.4
528.22937	1.6
545.23450	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.9
55.01842	0.9
55.05482	0.8
57.03403	1.2
67.05471	1.2
69.03369	2.5
69.07023	0.8
79.05491	3.7
79.91238	0.5
81.07055	8.0
82.07330	1.7
83.01270	0.8
83.04948	1.0
85.02837	0.6
91.05482	4.6
93.07052	3.2
95.04953	2.4
95.08608	2.8
97.06470	1.1
98.23470	0.6
98.97511	1.1
105.07027	5.4
107.04886	1.1
107.08602	3.7
109.06525	5.0
109.10088	0.8
110.06770	0.9
111.04416	0.7
111.08022	2.0
115.05405	0.8
117.07028	3.8
119.08583	4.1
121.06469	2.5
121.10075	1.5
123.04288	0.7
123.08083	3.6
125.05942	1.5
128.06149	1.6
129.07005	3.6
131.08557	5.9
132.08804	0.9
133.06430	2.3
133.10133	4.1
135.04338	0.7
135.08057	3.3
135.11623	0.9
137.05969	7.3
137.09477	0.6
138.06247	2.3
139.07581	2.4
141.07062	2.5
142.07657	1.8
143.08556	4.9
144.09079	0.6
145.06442	3.0
145.10129	6.2
146.10391	0.5
147.08023	3.5
147.11636	1.9
149.05882	1.8
149.09541	2.2
151.03842	0.6
151.07477	2.1
153.05396	1.0
153.09029	1.0
154.07675	2.2
155.08563	6.0
156.09196	0.9
157.06400	1.2
157.10089	4.0
158.07216	0.9
158.10567	0.9
159.08043	5.7
159.11693	7.1
160.08403	0.5
161.05928	0.9
161.08437	0.6
161.09615	7.9
161.13254	0.6
162.09888	0.5
163.07463	1.2
163.11084	2.3
167.07097	0.8
167.08470	2.4
169.08713	0.6
169.10130	7.1
170.07034	0.6
171.08057	3.1
171.11723	2.5
172.08725	0.8
173.05931	1.1
173.08241	0.6
173.09616	7.6
173.13251	0.7
174.09947	2.1
175.07489	2.3
175.11174	2.6
177.05472	1.0
177.09016	1.9
179.07053	0.9
179.08504	1.3
179.10562	0.9
181.10036	2.0
183.07980	1.4
183.11736	2.4
185.09624	4.0
185.13118	0.7
186.10204	1.8
187.07458	1.3
187.11162	8.3
188.11459	2.0
189.09132	6.0
189.12683	0.9
190.09563	0.6
191.10622	2.1
193.10147	1.1
195.11633	1.8
196.08665	0.6
197.09608	2.4
197.13216	1.0
199.07457	1.2
199.11116	2.1
201.09099	1.4
201.12685	1.5
203.06909	0.8
203.10593	2.3
205.08485	1.4
205.10226	0.9
205.12187	1.1
207.10089	1.3
207.11702	1.5
209.09584	1.4
209.13214	2.3
211.11122	1.9
212.11844	0.6
213.09198	2.4
213.12630	2.1
215.10548	2.4
215.14120	0.8
217.08522	1.1
217.12132	1.0
219.11774	0.7
221.09587	0.7
221.13287	1.2
223.10994	1.4
225.09091	0.8
225.12651	1.1
226.09395	0.6
227.10605	1.4
227.14246	0.9
228.11000	1.0
229.12192	1.3
230.18532	0.6
231.10077	1.3
231.13857	0.8
233.11600	1.4
233.15263	1.0
234.13846	0.7
235.11115	0.8
235.14902	0.9
237.12686	1.8
239.10605	1.0
239.14233	1.4
241.12161	1.5
242.12828	0.8
243.10146	0.7
247.10999	0.7
247.15106	1.2
248.12080	0.5
249.12698	0.7
251.10368	0.7
253.12083	0.8
253.15735	0.7
253.96324	0.6
255.13620	1.1
259.09686	0.7
259.14999	1.2
261.12619	1.1
263.14102	0.7
265.12143	1.1
267.13840	1.0
267.17422	0.7
273.16422	0.6
275.14252	1.1
277.15854	1.6
279.13516	1.0
281.15466	0.9
291.13904	0.7
291.17517	1.7
293.15427	1.2
293.18912	0.9
295.16852	1.8
303.17389	1.1
305.15445	1.2
309.18301	0.9
317.15268	0.6
319.16846	1.7
321.18405	1.2
323.16284	1.4
329.18826	0.6
333.04959	0.6
333.18616	0.8
337.17697	2.9
339.19571	0.7
347.16257	2.0
349.21564	1.0
365.17322	5.2
365.21155	0.7
375.15546	1.1
375.19525	1.7
377.21170	2.4
381.20477	0.9
383.18497	1.1
393.16592	5.9
393.20889	1.5
395.22284	2.9
403.18945	1.9
405.20517	1.8
407.18466	0.8
408.18713	2.5
411.17673	6.6
418.17456	0.8
421.19958	5.3
422.20410	1.5
423.21747	3.5
424.22137	0.8
425.19421	0.7
429.19141	0.9
432.18774	1.1
435.17621	1.1
436.18182	2.6
437.19217	0.9
438.19589	0.7
439.21124	29.2
440.21350	2.2
441.22693	32.0
442.23328	3.1
449.19690	2.5
450.19891	1.6
453.18945	1.8
454.19202	4.0
459.24078	0.5
463.21078	1.1
466.19568	0.7
467.20691	9.0
468.20926	3.3
471.20081	13.5
472.20520	2.4
478.19171	1.2
480.20905	0.7
481.22162	1.7
482.22461	0.7
483.23828	1.4
485.21680	100.0
486.22079	11.7
490.19159	0.8
491.20245	1.0
498.21875	0.9
499.23389	2.4
500.23395	0.6
501.24902	3.4
502.21814	1.8
508.20343	1.7
509.21518	2.3
526.21442	3.2
527.22736	71.5
528.23065	9.7
544.22919	1.2
545.23706	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
54.75706	1.7
67.05488	3.8
69.03420	12.5
69.07050	2.8
70.49999	4.4
72.05170	1.6
79.05493	17.4
80.01708	1.7
81.07053	76.0
82.02381	1.5
83.04960	2.7
85.29176	1.6
91.04991	1.9
91.05461	10.1
93.07040	5.0
95.04961	7.0
95.08606	3.1
97.02891	2.6
97.06517	3.1
102.11522	1.8
105.07020	9.1
105.82734	1.7
107.08559	4.7
109.06524	30.8
111.04453	2.1
111.08045	2.0
115.05508	2.2
117.06997	4.6
119.08575	3.8
121.06495	6.7
123.04456	2.2
123.08057	3.5
128.06183	2.8
129.07002	6.8
130.41577	1.6
131.08580	7.4
133.06477	6.5
133.10115	5.6
135.08046	6.7
136.86990	1.8
137.05969	100.0
138.06296	3.5
139.07521	6.3
141.06967	4.2
142.07788	3.5
143.08545	12.8
145.06482	4.9
145.10162	5.5
147.08043	7.3
149.05981	6.3
149.09641	2.4
153.05542	1.6
154.07774	3.4
155.08528	5.8
156.09314	2.1
157.06535	3.0
157.10094	8.5
158.07310	1.9
159.08054	14.0
159.11690	3.6
160.08757	2.0
161.05891	4.2
161.09598	9.9
163.07533	3.0
167.08554	4.0
169.10155	11.8
171.08058	5.2
173.09610	11.6
175.07646	4.0
175.11198	19.1
179.08568	2.6
181.10088	4.0
183.08063	3.5
183.11676	7.0
185.09650	8.6
185.13272	2.1
187.07547	2.7
187.11195	13.5
189.09052	9.8
189.12694	2.1
193.10107	4.6
195.08142	1.9
195.11664	3.8
197.09648	4.1
197.13222	2.0
199.11186	6.1
201.09065	6.0
201.12758	9.8
203.10724	3.7
207.11667	5.2
209.09595	3.4
209.13197	3.1
211.11084	8.8
213.09085	6.2
213.12646	2.5
215.06984	1.7
215.10654	4.6
215.14317	2.7
216.11470	5.8
217.08508	4.0
219.10159	7.7
221.13171	2.6
223.11168	4.1
225.09000	2.9
225.12837	8.8
227.10696	6.8
227.14384	3.2
229.08597	2.6
229.12230	12.6
231.10043	3.7
235.11353	3.6
237.12697	5.3
239.10638	7.4
239.14308	2.7
241.12207	3.2
243.10098	3.3
243.13809	7.0
251.14316	1.8
253.12201	15.8
254.12862	2.6
255.13846	4.6
256.72705	1.9
257.11783	2.7
265.12289	3.9
267.13617	2.6
271.10449	3.3
271.13272	44.7
272.13681	3.8
279.13742	3.2
281.11749	4.5
281.15201	2.5
283.13397	4.0
297.14795	2.6
299.12793	9.6
301.14432	3.7
309.14703	2.8
313.14368	5.1
325.14310	3.9
333.19199	1.8
343.15381	7.6
355.15350	5.9
361.16617	2.8
373.16678	7.4
391.18317	6.9
403.18808	2.2
409.20026	20.4
410.20477	2.4
413.17188	1.9
419.18323	17.0
421.20038	10.5
431.18762	3.3
433.19891	2.9
437.19540	51.0
438.19839	7.2
439.21445	3.8
445.19952	3.0
447.21841	2.7
449.19504	12.0
451.12903	1.8
451.21027	3.5
455.20401	9.4
463.21194	9.4
465.22559	5.0
467.20660	77.6
468.20883	7.6
473.19720	4.0
479.20773	7.8
481.22092	10.0
483.23511	5.0
485.21713	17.6
486.21817	5.2
491.20560	13.2
497.21805	9.1
498.22293	2.3
499.23535	2.2
509.21661	51.0
510.21805	3.7
527.22656	25.0
545.23669	8.0
562.26428	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.05500	1.7
57.03439	1.2
57.07032	0.6
61.04663	0.6
67.05486	2.1
69.03417	2.5
69.07040	0.5
69.81442	1.4
71.04974	0.6
77.87755	0.6
79.05475	2.0
81.03424	1.3
81.07055	2.7
83.04963	1.6
86.59073	0.7
91.05492	4.9
92.78814	0.6
93.07027	3.9
95.04978	1.0
95.08608	4.3
97.06516	1.1
103.05498	0.9
105.07031	5.2
107.04951	0.8
107.08601	2.8
109.06530	2.9
109.10160	2.0
111.08084	2.3
117.07014	2.2
119.08582	14.6
121.06515	2.6
121.10128	1.8
123.08073	4.3
125.05962	0.8
128.06219	1.2
129.06985	2.0
131.04951	0.8
131.08595	2.3
133.10153	3.5
135.08043	2.5
135.11713	0.9
137.05980	2.2
137.09608	1.8
139.07558	1.6
141.07018	0.6
142.07773	1.1
143.08553	4.1
145.06487	1.5
145.10110	7.0
147.08057	1.9
147.11722	1.9
149.09627	1.7
151.07498	0.7
152.88846	0.7
153.06996	0.7
154.07695	0.7
155.08548	2.7
157.10132	6.6
159.08081	2.3
159.11703	2.6
161.06029	1.0
161.09602	4.0
161.13258	1.4
163.11110	1.2
165.07028	0.9
165.09148	0.9
167.08607	1.1
168.09457	0.8
169.10101	4.0
170.10886	0.7
171.08095	2.3
171.11708	3.0
173.05917	0.7
173.09633	8.0
173.13246	1.1
175.07552	1.4
175.11212	2.6
177.09201	0.8
179.08524	0.9
179.10835	0.8
181.10133	1.9
183.08084	1.0
183.11670	2.9
185.05937	0.7
185.09612	2.1
185.13242	3.5
186.14098	0.8
187.07663	1.4
187.11169	2.2
189.09145	1.5
189.12830	1.0
191.10677	1.0
193.10158	1.4
195.11778	1.6
197.09587	1.0
197.13260	1.2
199.11200	2.0
201.09120	1.2
201.12730	2.1
203.10785	0.7
203.14282	1.9
207.11798	0.9
209.09631	1.3
209.13226	0.8
211.11177	1.8
211.14816	1.0
213.09221	0.7
213.12737	0.9
215.10680	0.9
217.08595	0.8
219.11778	1.1
221.13261	1.4
223.11140	1.2
223.14784	0.7
225.12569	1.0
227.10547	1.0
229.12279	1.8
233.13316	1.0
237.12764	1.3
239.10799	0.9
249.12807	0.9
250.13472	0.8
251.14249	1.0
253.12181	0.9
253.15799	0.9
259.14804	0.8
263.14371	1.3
279.13809	0.6
303.17413	0.9
305.15237	0.9
319.16953	0.8
321.18463	1.6
321.21918	0.7
323.20242	1.0
331.16968	0.9
335.20010	0.9
347.25821	1.6
363.19785	1.1
381.20688	1.1
389.17368	0.8
391.18823	1.3
401.21115	1.0
403.22632	0.7
409.20050	2.4
411.25461	3.5
419.22095	4.1
421.23819	1.7
421.29614	1.6
437.23264	9.1
438.23691	0.9
439.24899	7.2
439.30173	1.1
447.21982	1.5
453.19260	1.7
455.24350	1.0
463.21439	1.4
465.22620	4.2
467.20499	0.8
481.21942	3.0
483.23758	100.0
484.24017	10.3
485.21594	1.2
491.20718	1.2
499.22961	0.7
501.24835	12.5
502.25333	1.2
509.21729	15.5
510.22263	1.5
527.22754	73.8
528.22992	7.8
545.23999	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22326	1.9
52.63961	2.0
53.03939	4.8
55.01861	7.7
55.05504	6.4
57.03434	11.0
59.04985	2.4
61.02918	8.0
63.80896	2.1
67.05492	16.5
68.88195	2.4
69.03424	16.7
69.07063	4.9
69.08368	20.4
71.01368	3.3
71.04996	5.1
73.02916	22.3
79.05492	9.3
81.03407	8.1
81.07057	27.1
83.04993	4.0
83.08614	3.0
84.05279	2.0
85.02909	30.5
85.06520	3.2
91.03987	2.3
91.05459	16.1
93.07050	30.7
95.04958	10.1
95.08605	28.3
97.02898	27.0
97.06538	6.8
97.80489	2.2
99.04468	4.2
105.07028	22.9
107.08582	19.9
109.02845	3.2
109.06507	7.5
109.10148	14.1
111.04452	3.4
111.08066	6.8
115.03919	13.4
117.07013	4.8
119.07780	4.4
119.08579	54.8
121.06522	6.8
121.10130	16.1
123.08093	8.6
127.03913	11.3
129.06949	4.1
131.08563	18.6
133.04958	12.1
133.10114	23.9
134.10921	11.8
135.08035	4.2
135.11659	4.8
137.05991	3.3
137.09641	6.7
139.07492	4.9
141.09061	4.3
142.07751	2.7
143.08530	5.0
145.04979	13.0
145.10091	15.7
147.08055	6.1
147.11684	7.8
149.09631	4.6
155.08629	2.4
157.10161	5.9
159.08035	4.5
159.11679	22.8
161.09644	3.4
161.13269	3.7
163.07520	2.4
165.09103	3.9
169.10139	2.7
171.07986	2.3
171.11745	3.0
173.09663	5.3
173.13260	7.8
175.11206	3.8
177.09160	5.8
177.12732	8.0
177.16402	2.3
185.09554	2.2
187.11206	4.8
187.14861	28.6
191.10599	2.5
191.14293	2.4
193.10150	4.4
195.11662	3.5
197.13240	7.6
199.11005	2.3
201.09090	3.0
205.15851	12.0
209.09508	2.2
215.14334	18.9
221.15324	3.3
233.15346	100.0
234.15691	5.7
241.07014	4.3
251.16467	15.7
287.01535	2.3
352.51517	2.1
359.37262	2.6
365.23239	3.6
421.25851	16.3
445.23544	3.0
463.24698	3.2
473.23047	4.0
485.25311	2.7
491.23813	6.8
509.25519	16.3
527.26166	7.2
562.37054	7.5
563.21661	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55060	3.9
53.03958	7.1
55.01889	5.4
55.05508	17.4
57.03424	5.1
67.05505	22.7
69.03435	6.0
69.07071	8.9
70.46365	5.3
70.46706	5.4
79.05502	15.4
81.03429	13.0
81.07058	24.9
83.04978	49.0
83.08624	5.6
91.05487	36.4
93.07046	36.1
95.04978	15.4
95.08610	32.5
97.02945	5.8
97.06536	9.8
105.07022	27.8
106.07254	3.2
107.04959	7.2
107.08592	17.5
108.47890	3.2
109.06542	11.7
109.10150	6.9
111.04443	29.7
111.08088	16.2
112.06886	3.1
114.12184	3.3
115.05462	3.7
117.07030	14.1
119.08581	54.0
120.07959	3.3
121.06522	11.8
121.10161	8.9
123.04440	4.9
123.08095	13.9
123.11703	4.1
125.05991	5.5
128.06245	11.1
129.07013	10.7
131.08592	31.2
133.06491	9.1
133.10138	29.0
135.08049	10.7
137.05057	3.6
137.05930	17.1
139.07523	19.6
141.06992	7.5
142.07794	9.5
143.08548	22.7
145.06516	5.4
145.10138	36.0
147.08081	10.0
147.11673	23.4
149.06023	6.9
149.09641	5.2
153.06920	4.4
155.07159	3.5
155.08566	12.0
156.09351	8.0
157.10176	29.4
159.08043	13.7
159.11717	17.0
161.09625	24.4
161.13289	4.0
165.05624	4.0
165.07001	8.4
167.08551	7.1
168.09422	4.3
169.10135	16.8
170.10957	5.0
171.08064	7.0
171.11736	15.4
173.09619	11.6
175.11182	10.4
176.78944	3.9
177.09102	4.9
179.08502	7.8
180.09326	6.2
181.10126	18.3
182.10912	6.0
183.08038	5.9
183.11754	16.1
185.09703	11.9
185.13252	10.1
187.11186	10.2
189.12695	4.6
192.09300	4.1
193.10164	9.1
195.11711	15.6
196.08777	4.2
196.12410	7.7
197.09634	10.4
197.13315	12.3
199.11188	12.4
199.14774	7.4
201.09120	5.4
201.12889	6.0
205.10294	5.3
206.10878	5.0
207.11723	11.4
208.12408	4.6
209.09695	8.8
209.13307	11.5
211.11223	9.2
211.14845	11.3
213.12846	7.4
215.10751	6.3
219.11630	5.6
219.75949	3.8
221.13255	8.0
222.10362	4.7
222.14166	7.4
223.11211	11.8
223.14906	5.4
225.12738	9.1
226.13538	4.8
227.14430	8.8
231.11768	5.0
233.15355	3.9
235.11308	6.4
235.14792	4.1
236.12012	5.9
237.12733	4.0
239.14301	25.7
241.12143	7.1
243.11868	5.4
245.13213	5.5
247.14740	4.2
249.16412	5.3
251.14413	5.1
257.15350	21.4
259.15347	4.1
263.14426	4.2
263.17957	5.3
265.15936	6.0
281.15405	5.4
291.17294	5.0
307.16855	7.5
319.16983	5.1
323.05704	4.0
323.16443	4.4
325.18039	7.5
337.17966	9.5
353.17285	5.5
355.19052	100.0
356.19461	9.9
369.82159	3.4
403.22699	7.7
421.23871	5.6
421.29315	8.7
445.23257	4.1
459.27283	5.4
473.23004	8.1
477.28195	4.5
491.24393	20.5
492.24802	4.7
509.25446	13.7
510.25388	4.4
527.26385	8.3
563.26605	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	14.7
55.05503	21.1
57.94028	5.1
65.03937	8.3
66.81849	5.0
67.05505	59.9
69.03418	24.3
69.06602	56.0
69.07013	9.2
71.75867	5.4
71.79079	6.7
73.02893	5.2
79.05481	40.3
81.03407	13.1
81.07060	72.2
83.04980	67.2
85.02904	15.8
90.28810	5.2
91.05493	66.6
93.07034	61.2
95.04977	29.8
95.08613	32.1
97.02894	20.9
97.06506	11.6
103.05489	7.0
105.07029	94.3
107.04926	13.6
107.08591	44.1
109.02873	11.7
109.06509	42.6
109.10152	70.2
111.04456	33.5
111.08061	8.0
115.05439	10.4
117.07019	21.0
119.08580	100.0
121.06498	19.9
121.10136	11.1
123.04458	6.5
123.08055	13.3
125.06004	13.4
127.03849	6.4
128.06195	12.1
129.06993	31.3
130.07748	9.2
131.04863	8.8
131.08568	50.7
133.06488	53.3
133.10112	33.5
135.04376	6.6
135.08051	31.1
137.05896	12.0
137.09497	5.9
139.07596	11.4
141.06947	19.7
142.07800	26.6
143.08562	48.6
145.06458	18.0
145.10126	65.0
147.08025	40.3
147.11656	9.2
149.05943	8.1
149.09610	12.0
151.07526	16.6
153.06961	9.3
154.07782	8.3
155.07367	5.3
155.08536	42.3
156.09340	20.8
157.06462	5.9
157.10129	65.8
158.07262	7.7
159.08057	31.9
159.11684	18.9
161.05914	5.7
161.09584	22.4
163.07515	7.8
165.07005	20.0
166.07777	13.1
167.08588	22.7
168.09306	12.9
169.10118	57.3
170.10579	6.8
171.07999	13.0
171.11687	19.6
173.09619	26.3
175.07512	10.1
175.11259	14.3
177.09116	11.3
178.07780	12.1
179.07207	7.5
179.08485	33.8
180.09270	21.3
181.06686	5.7
181.10100	48.5
182.10791	18.5
183.08002	14.4
183.11691	28.0
185.09622	23.3
185.13174	14.1
187.11182	17.0
187.14822	17.8
189.09106	7.0
190.07942	5.9
191.08456	11.2
192.09355	13.8
193.08572	54.8
193.10153	31.7
194.10895	19.9
195.08029	17.9
195.11684	24.6
196.08820	9.7
196.12434	16.0
197.09572	23.5
197.13249	30.8
199.11151	24.0
199.14851	10.5
202.07785	6.0
203.08626	9.4
203.10576	8.2
204.09340	7.9
205.10095	20.1
206.10898	9.5
207.11703	34.3
209.09587	18.3
209.13261	21.2
211.11157	25.5
211.14722	27.3
213.12772	11.8
215.10597	8.2
215.14296	14.5
217.10184	17.6
218.10777	13.6
219.11667	16.2
220.12325	8.7
221.09563	8.1
221.13234	20.3
222.10353	11.8
223.11194	29.7
223.14752	12.8
225.09152	6.3
225.12706	41.3
227.14459	10.4
229.10146	9.0
231.11621	15.4
233.13167	21.7
233.15369	43.2
235.11148	12.8
235.14868	16.5
236.11621	6.6
237.12804	17.6
237.16339	11.2
239.14314	9.1
243.11748	6.3
243.13817	13.6
245.09628	6.3
245.13335	10.6
246.10425	10.4
247.11174	12.7
247.14856	11.6
249.12849	10.3
251.10559	6.6
251.16386	8.3
253.12292	11.8
255.13771	9.3
259.14969	6.2
261.12720	15.9
262.13849	5.6
263.14328	10.1
265.15979	8.7
273.14948	10.7
275.14294	13.5
279.13824	7.9
287.14240	8.4
297.14929	10.7
301.15848	6.2
305.18805	6.5
319.17224	6.4
345.14682	7.2
353.21158	12.0
391.15637	8.3
409.16241	9.3
421.23557	10.0
427.17444	6.9
431.22189	7.4
445.23669	13.6
451.20920	6.6
455.22144	7.8
463.24924	11.5
473.23148	14.8
491.24496	32.0
509.25864	26.6
525.67352	7.8
527.26459	31.8
528.26178	7.0
545.27319	13.6
562.32501	11.4
563.33783	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	14.7
55.05503	21.1
57.94028	5.1
65.03937	8.3
66.81849	5.0
67.05505	59.9
69.03418	24.3
69.06602	56.0
69.07013	9.2
71.75867	5.4
71.79079	6.7
73.02893	5.2
79.05481	40.3
81.03407	13.1
81.07060	72.2
83.04980	67.2
85.02904	15.8
90.28810	5.2
91.05493	66.6
93.07034	61.2
95.04977	29.8
95.08613	32.1
97.02894	20.9
97.06506	11.6
103.05489	7.0
105.07029	94.3
107.04926	13.6
107.08591	44.1
109.02873	11.7
109.06509	42.6
109.10152	70.2
111.04456	33.5
111.08061	8.0
115.05439	10.4
117.07019	21.0
119.08580	100.0
121.06498	19.9
121.10136	11.1
123.04458	6.5
123.08055	13.3
125.06004	13.4
127.03849	6.4
128.06195	12.1
129.06993	31.3
130.07748	9.2
131.04863	8.8
131.08568	50.7
133.06488	53.3
133.10112	33.5
135.04376	6.6
135.08051	31.1
137.05896	12.0
137.09497	5.9
139.07596	11.4
141.06947	19.7
142.07800	26.6
143.08562	48.6
145.06458	18.0
145.10126	65.0
147.08025	40.3
147.11656	9.2
149.05943	8.1
149.09610	12.0
151.07526	16.6
153.06961	9.3
154.07782	8.3
155.07367	5.3
155.08536	42.3
156.09340	20.8
157.06462	5.9
157.10129	65.8
158.07262	7.7
159.08057	31.9
159.11684	18.9
161.05914	5.7
161.09584	22.4
163.07515	7.8
165.07005	20.0
166.07777	13.1
167.08588	22.7
168.09306	12.9
169.10118	57.3
170.10579	6.8
171.07999	13.0
171.11687	19.6
173.09619	26.3
175.07512	10.1
175.11259	14.3
177.09116	11.3
178.07780	12.1
179.07207	7.5
179.08485	33.8
180.09270	21.3
181.06686	5.7
181.10100	48.5
182.10791	18.5
183.08002	14.4
183.11691	28.0
185.09622	23.3
185.13174	14.1
187.11182	17.0
187.14822	17.8
189.09106	7.0
190.07942	5.9
191.08456	11.2
192.09355	13.8
193.08572	54.8
193.10153	31.7
194.10895	19.9
195.08029	17.9
195.11684	24.6
196.08820	9.7
196.12434	16.0
197.09572	23.5
197.13249	30.8
199.11151	24.0
199.14851	10.5
202.07785	6.0
203.08626	9.4
203.10576	8.2
204.09340	7.9
205.10095	20.1
206.10898	9.5
207.11703	34.3
209.09587	18.3
209.13261	21.2
211.11157	25.5
211.14722	27.3
213.12772	11.8
215.10597	8.2
215.14296	14.5
217.10184	17.6
218.10777	13.6
219.11667	16.2
220.12325	8.7
221.09563	8.1
221.13234	20.3
222.10353	11.8
223.11194	29.7
223.14752	12.8
225.09152	6.3
225.12706	41.3
227.14459	10.4
229.10146	9.0
231.11621	15.4
233.13167	21.7
233.15369	43.2
235.11148	12.8
235.14868	16.5
236.11621	6.6
237.12804	17.6
237.16339	11.2
239.14314	9.1
243.11748	6.3
243.13817	13.6
245.09628	6.3
245.13335	10.6
246.10425	10.4
247.11174	12.7
247.14856	11.6
249.12849	10.3
251.10559	6.6
251.16386	8.3
253.12292	11.8
255.13771	9.3
259.14969	6.2
261.12720	15.9
262.13849	5.6
263.14328	10.1
265.15979	8.7
273.14948	10.7
275.14294	13.5
279.13824	7.9
287.14240	8.4
297.14929	10.7
301.15848	6.2
305.18805	6.5
319.17224	6.4
345.14682	7.2
353.21158	12.0
391.15637	8.3
409.16241	9.3
421.23557	10.0
427.17444	6.9
431.22189	7.4
445.23669	13.6
451.20920	6.6
455.22144	7.8
463.24924	11.5
473.23148	14.8
491.24496	32.0
509.25864	26.6
525.67352	7.8
527.26459	31.8
528.26178	7.0
545.27319	13.6
562.32501	11.4
563.33783	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03690	1.4
53.03927	4.6
55.05502	3.8
64.45855	1.5
64.67738	1.5
67.05501	5.7
69.03436	3.6
69.07081	3.3
69.07864	3.1
69.08263	13.2
75.92288	1.4
79.05519	7.9
81.03410	5.5
81.07037	7.6
83.05002	2.9
83.08624	2.6
85.06542	3.2
86.56514	1.4
91.05482	13.5
93.07036	8.3
95.04971	3.0
95.08604	7.5
99.04439	2.2
105.07038	13.1
107.08591	6.9
109.02882	5.4
109.06537	10.2
109.10167	2.3
111.04472	2.8
111.08071	3.1
115.05473	1.5
117.07025	5.8
117.81257	1.4
119.04968	1.8
119.08607	14.1
121.06528	3.3
121.10130	4.1
123.08033	2.0
128.06255	2.0
129.06998	5.4
131.08565	12.0
131.53908	1.4
133.06555	3.5
133.10132	10.7
135.08060	6.6
135.11690	1.6
137.09579	2.1
139.07495	1.9
141.07045	2.6
142.07762	4.1
143.08571	8.8
145.06488	5.1
145.10143	7.5
147.08067	5.8
147.11629	2.5
149.06073	1.6
149.09579	5.1
155.07346	1.4
155.08530	7.6
156.09415	3.3
157.10143	9.3
159.08015	7.4
159.11688	5.1
161.09619	7.0
163.11322	2.0
165.07001	2.9
167.08612	4.2
168.09502	1.8
169.10141	13.2
170.10898	2.4
171.08115	2.3
171.11716	7.9
173.09613	4.5
175.07530	1.8
175.11137	3.7
177.09114	2.2
178.07768	2.3
179.08611	4.3
179.10693	2.7
180.09311	2.6
181.10091	8.6
182.10905	2.5
183.07988	4.2
183.11705	5.8
185.09592	11.3
185.13329	3.4
187.07475	1.6
187.11177	5.5
189.12711	1.4
193.10132	7.6
194.10948	2.6
195.08034	1.7
195.11751	7.7
196.09082	1.5
196.12379	2.6
197.09630	5.0
197.13248	7.6
199.11217	5.2
201.09135	3.4
201.12743	2.2
203.10698	2.0
205.10117	3.4
206.10947	3.6
207.11697	9.5
208.12486	3.2
209.09676	2.4
209.13315	7.6
211.11194	4.2
211.14830	2.2
213.12744	4.2
214.75389	2.0
215.10683	4.3
217.10159	2.9
218.10924	2.6
219.11710	7.0
220.12396	2.0
221.09624	3.1
221.13194	6.5
222.13959	1.5
223.11264	3.2
223.14862	4.1
224.12085	2.0
225.12729	9.8
225.16345	1.9
226.13455	3.5
227.14291	1.9
229.10231	2.3
231.11659	5.6
231.13763	2.0
232.12427	3.8
233.13187	6.1
234.14034	2.5
235.11238	3.4
235.14775	6.3
237.12755	4.1
237.16368	2.1
239.14340	3.3
241.12210	2.6
243.11607	2.1
243.13797	4.9
244.12425	2.9
245.09674	2.6
245.13222	4.8
246.13943	2.9
247.11189	2.8
247.14960	7.4
249.12672	2.2
249.16368	5.3
251.14342	6.4
253.12366	1.9
253.15790	3.0
255.13927	1.8
256.12286	3.0
259.11035	1.7
259.14822	6.6
261.16431	5.0
263.14325	4.7
269.13034	2.5
273.12485	1.6
273.16278	2.8
275.14304	3.4
275.17856	3.5
277.15848	8.6
285.16599	2.2
287.14401	1.9
287.17816	2.7
289.19540	2.3
303.17606	1.8
305.15506	7.6
305.18512	1.7
307.16797	3.3
321.18619	2.4
323.16415	34.2
323.19846	1.9
324.16647	2.0
325.19290	2.2
341.17468	100.0
342.17700	7.5
343.20770	2.5
347.20059	2.9
350.22498	3.4
355.18976	2.9
359.18652	5.4
361.21576	2.6
362.22610	2.8
399.23239	1.8
413.24594	3.5
417.24390	2.8
423.22849	2.6
431.25708	2.5
435.25604	2.5
441.24295	5.5
449.26648	2.7
459.25250	21.9
477.26416	75.6
478.26627	6.0
491.24207	3.0
495.20532	3.0
495.27429	38.3
496.27905	2.4
509.25302	5.3
513.28418	1.9
527.26489	1.9
545.27472	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.1
55.01876	6.6
55.05511	36.7
57.03437	7.7
57.07072	7.6
64.23199	3.3
65.03940	6.5
66.39781	2.7
67.05505	61.5
68.05846	4.4
69.03424	5.2
69.07062	35.1
71.05003	7.2
73.89518	3.1
77.03927	3.2
79.05498	41.7
80.05828	3.1
81.03410	4.2
81.07059	66.9
82.07402	6.2
83.04977	25.8
83.08604	14.7
85.06546	5.5
91.05479	57.4
93.07044	77.3
94.07359	4.2
95.04987	15.1
95.08607	100.0
96.08943	4.4
97.06537	11.1
97.10183	11.0
99.04441	5.7
105.07035	73.0
106.07367	3.7
107.04934	5.9
107.08599	60.9
108.08951	3.8
109.06528	10.5
109.10159	44.6
111.04449	12.5
111.08070	18.8
113.05987	6.7
115.05475	4.3
117.06998	18.2
119.08572	79.3
120.08974	3.4
121.06507	11.3
121.10146	47.0
122.10442	4.5
123.08051	23.7
123.11703	10.7
125.09613	10.4
128.06210	6.6
129.07016	21.2
130.07773	3.7
131.08553	43.5
133.06505	5.1
133.10118	50.5
133.11053	4.2
134.10489	3.9
135.08040	16.1
135.11702	17.6
137.05997	5.8
137.09645	5.0
137.13287	3.2
139.07503	7.1
139.11162	4.2
141.06998	6.9
141.09087	6.4
142.07779	11.0
143.08586	44.4
144.09160	3.3
145.06509	4.2
145.10123	69.2
146.10526	3.7
147.08063	11.8
147.11685	32.2
149.09644	6.1
149.13190	6.7
151.11200	3.7
155.08548	20.3
155.91252	3.4
156.09314	10.7
157.06415	4.2
157.10124	61.2
159.08069	12.0
159.11690	52.5
160.12405	4.7
161.09619	23.1
161.13264	21.7
163.11201	12.8
165.07004	5.0
167.08540	6.5
167.10738	3.6
168.09169	3.2
169.10136	27.9
170.10852	4.6
171.08078	7.7
171.11699	45.0
172.08788	5.6
172.12247	3.9
173.09615	15.5
173.13222	31.8
175.11205	13.9
175.14857	9.0
179.08632	6.8
181.10175	13.0
182.10878	6.7
183.11731	23.2
184.12387	5.0
185.09615	7.7
185.13272	32.4
187.11201	12.7
187.14838	24.4
189.12828	10.5
189.16406	8.4
192.09435	5.1
193.10133	8.6
193.12094	2.9
194.10814	4.3
195.11667	22.6
197.09595	5.3
197.13240	26.2
198.13963	5.6
199.11148	6.9
199.14848	24.0
200.15263	3.9
201.12848	7.5
201.16379	9.9
203.10677	4.6
203.14354	8.2
203.17972	7.2
205.10233	3.7
207.11671	8.9
208.12527	4.6
209.09662	5.4
209.13275	16.6
210.14012	4.0
211.11221	6.9
211.14850	17.1
213.12733	10.4
213.16400	17.8
215.10764	4.0
215.14366	16.1
215.17944	3.9
219.11746	4.2
220.12440	3.8
221.09621	6.2
221.13329	6.4
223.14801	9.6
224.11812	3.3
225.12773	4.7
225.16431	10.2
227.14348	11.0
227.17931	22.7
229.15894	11.6
231.17542	5.0
233.15358	3.5
235.14897	5.8
237.12807	4.8
237.16510	7.2
239.14340	6.2
239.17993	10.4
241.15842	7.6
241.19562	22.7
243.21158	7.1
249.12935	4.0
249.16388	5.2
251.17978	9.3
253.15939	4.1
253.19562	4.7
255.17470	5.7
259.17068	4.7
263.14120	4.7
265.15829	4.8
267.17398	7.1
267.21295	4.2
269.19012	21.4
271.20560	3.1
277.19235	3.9
279.17307	3.5
281.19339	3.5
281.22598	4.4
295.20465	6.8
299.23621	4.7
319.17017	4.8
327.23004	5.5
363.26880	8.0
367.26224	25.3
369.24310	10.1
373.25232	6.0
381.27896	14.0
389.24225	3.2
391.26196	24.9
409.27341	80.4
410.27698	8.3
421.30893	11.2
423.32538	4.1
431.25504	4.8
449.30402	10.1
459.25262	19.8
477.26373	60.3
478.26578	6.8
527.30243	4.8
544.37311	8.9
562.38647	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90703	2.7
55.01870	5.0
55.05513	15.0
57.03436	17.8
59.30780	2.6
61.61574	2.4
67.05511	19.1
69.03421	5.6
69.07051	6.9
69.12579	7.4
69.13000	15.3
71.04978	3.0
73.08466	2.6
79.05503	21.8
81.03423	88.8
81.07073	21.8
83.04977	13.3
83.08630	20.6
85.02910	11.0
91.05493	29.4
93.07041	18.3
95.04979	32.9
95.08614	15.3
97.02873	2.9
97.06549	3.4
105.07043	18.7
107.04969	8.8
107.08582	11.0
109.06500	8.6
109.10194	4.0
111.04416	2.9
111.08086	8.1
117.07004	4.5
119.08598	21.2
119.39094	2.5
121.06522	3.7
121.10140	10.7
123.08104	4.8
125.09603	4.1
129.07004	9.7
131.08568	13.0
133.06503	6.9
133.10124	7.1
137.09644	3.3
142.07787	6.4
145.06516	2.8
145.10136	4.8
147.08037	5.5
147.11671	8.0
149.09590	7.8
156.13492	2.9
157.10146	17.1
165.12703	3.5
175.11200	12.0
193.12239	38.9
197.81223	2.3
207.54269	3.3
209.44270	2.4
211.13287	22.3
245.87242	2.9
267.15918	100.0
273.14856	5.4
285.17010	22.4
349.21423	4.0
367.22659	9.8
385.23688	8.8
433.25705	6.7
441.26715	3.4
459.27386	43.8
460.27835	4.0
477.28604	29.2
478.28387	3.2
534.34253	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.1
53.15343	2.4
55.01869	3.9
55.05518	18.6
63.46466	2.5
67.05504	28.3
69.03414	2.9
69.07072	17.1
71.05012	5.7
71.99136	3.0
73.02914	2.9
79.05495	18.2
81.03412	3.4
81.07061	39.2
83.05002	15.1
83.08614	10.6
91.05481	23.8
93.07045	39.6
95.04976	10.1
95.08606	100.0
96.08965	3.5
97.10183	5.1
99.04453	9.5
105.07030	39.0
107.08587	43.8
109.06532	4.5
109.10162	41.0
111.04439	6.6
111.08097	9.3
113.05981	3.3
113.09608	3.0
115.05456	3.0
117.05496	5.7
117.07010	9.8
119.08588	36.7
121.06512	5.6
121.10139	28.2
123.08089	11.9
123.11714	11.8
125.05978	3.3
125.09638	4.0
126.42297	2.7
128.06218	4.5
129.07013	5.9
131.08582	32.7
133.10127	36.2
135.08095	4.3
135.11691	17.9
137.06010	4.8
137.13283	4.2
139.07570	8.5
141.09120	6.6
141.73935	3.2
142.07796	5.2
143.08583	12.2
144.09396	3.3
145.10121	53.6
147.08061	5.2
147.11676	26.3
149.09601	4.6
149.13297	5.3
155.08600	8.4
156.09280	3.4
157.10126	28.7
158.10820	4.8
159.06648	5.0
159.08084	8.3
159.11681	39.5
161.09596	14.7
161.13239	19.5
163.07642	3.9
168.09338	3.9
169.10132	8.5
170.10910	6.0
171.08167	3.1
171.11737	18.0
172.12274	3.3
173.09636	10.8
173.13248	29.3
175.11244	6.5
175.14835	18.3
177.16360	3.4
179.10641	6.1
181.10094	5.1
182.10941	3.6
183.11671	16.3
185.09615	4.4
185.13246	19.7
186.10457	3.7
187.11200	11.1
187.14799	26.6
189.12727	4.9
189.16379	10.2
191.10733	6.1
193.10193	4.0
193.12196	5.5
195.11676	8.3
197.13280	15.6
199.11182	5.3
199.14825	20.5
201.12729	6.1
201.16356	18.9
203.14348	7.8
203.17868	3.1
205.12256	5.7
207.11853	4.4
209.13361	7.0
211.11130	3.2
211.14838	12.9
213.12770	5.7
213.16373	9.5
215.14297	12.7
215.17885	4.0
217.15898	5.6
219.13824	10.2
219.17526	3.2
221.15434	8.1
223.14879	5.2
225.12778	6.6
225.16380	9.7
227.14308	7.1
229.15826	6.4
231.13785	4.5
231.17476	3.0
233.13454	3.2
233.15260	15.4
235.16949	6.9
237.16370	4.3
239.14474	3.1
239.18013	11.3
241.19461	6.7
245.15387	8.5
247.16986	11.0
249.16507	3.6
251.30453	3.2
255.17502	4.6
267.21008	3.4
279.21005	5.6
281.22787	8.8
283.24112	4.4
295.19189	3.2
307.18970	5.0
309.22031	8.2
314.26526	3.1
327.22968	6.5
335.23569	3.8
339.23114	6.5
341.24710	4.3
367.22269	4.6
379.26514	5.1
385.23773	4.1
387.25345	6.6
389.24612	3.9
395.29388	6.8
403.29837	5.4
407.29584	3.5
413.28448	3.2
421.31003	54.8
422.30972	3.2
423.32501	26.4
431.29297	14.8
439.31982	4.7
445.25610	6.6
449.30438	50.7
450.31015	5.3
459.27588	3.7
467.31714	13.9
491.31863	2.8
504.27890	9.2
509.32559	11.9
527.33472	25.5
528.34149	4.0
562.38141	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.9
55.01886	2.0
55.05516	13.8
57.03461	1.8
57.07075	6.6
60.90960	1.6
67.05508	26.0
69.03444	3.2
69.07079	12.3
69.18807	7.7
69.19225	5.2
71.04998	6.0
71.08640	2.2
73.02928	1.8
79.05494	14.1
81.07062	35.0
81.07523	2.4
83.04974	9.3
83.08619	8.7
85.06551	2.1
91.05483	20.6
93.07043	40.9
95.04974	8.4
95.08610	100.0
96.08966	2.2
97.02879	2.1
97.06542	7.2
97.10199	4.8
97.53487	1.8
98.22615	3.9
99.04471	8.1
99.08094	1.6
105.07037	31.3
107.08592	42.9
107.09279	3.3
109.06544	6.5
109.10161	37.9
111.04472	6.4
111.08084	13.7
113.06020	5.6
113.09666	3.4
115.05416	1.7
117.05493	2.6
117.07037	8.9
119.08583	43.1
121.06512	6.1
121.10143	29.5
123.08066	12.4
123.11732	11.9
125.06018	3.5
125.09664	3.7
129.07036	6.7
130.07816	3.4
131.08566	30.5
133.06456	2.3
133.10126	39.9
135.08080	4.3
135.11688	18.5
137.05946	3.5
137.09644	3.0
137.13278	5.0
139.07538	11.0
141.07034	2.8
141.09120	9.6
142.07799	4.4
143.08556	19.9
144.09399	3.3
145.10124	51.4
147.08058	6.9
147.11693	24.8
149.09662	3.0
149.13287	7.8
151.11177	1.9
153.09111	2.4
155.08575	7.7
155.10617	3.2
156.09322	5.6
157.10126	32.0
158.10872	5.2
159.06813	1.8
159.08090	7.1
159.11697	46.1
161.09613	13.2
161.13272	18.9
163.11221	4.0
163.14850	3.5
163.58011	1.7
165.07091	2.2
165.09166	1.9
167.10684	1.8
168.09436	1.9
169.10117	12.7
170.10904	3.2
171.08102	3.8
171.11682	24.5
172.08884	3.1
172.12396	3.8
173.09636	12.0
173.13245	28.9
175.11230	7.6
175.14813	15.5
177.09201	3.0
177.12839	1.8
177.16380	3.2
179.10735	4.9
180.06604	1.8
181.06441	2.1
181.10226	4.7
182.10907	1.9
183.11697	17.2
184.12363	2.0
185.09647	6.3
185.13275	17.8
186.10501	4.4
186.13960	2.8
187.11278	8.9
187.14821	34.3
188.15274	2.5
189.12758	3.8
189.16426	8.9
191.10573	2.1
191.18062	1.9
193.12259	2.7
195.11758	7.4
196.12509	2.4
197.13257	16.1
198.14063	2.6
199.11171	3.6
199.14833	17.9
200.11845	2.5
200.15402	2.6
201.12830	7.8
201.16374	19.6
202.16594	1.8
203.10750	2.4
203.14388	6.9
203.17961	2.5
205.12254	4.1
205.15831	1.7
207.11787	4.3
207.13725	2.8
209.13324	5.9
211.11501	1.8
211.14908	9.8
212.15662	1.9
213.12785	6.1
213.16351	12.0
214.16937	1.8
215.10829	2.0
215.14325	13.4
215.17993	5.5
217.12234	2.1
217.15912	4.8
219.13850	7.9
221.13443	2.7
221.15416	7.5
223.11177	2.2
223.14845	6.1
225.12784	3.7
225.16400	7.3
227.14348	6.0
227.17976	6.3
229.12302	3.3
229.15935	5.6
229.19501	2.4
231.13826	5.2
231.17366	3.1
233.15393	11.7
235.14908	3.8
235.16924	14.9
237.16393	4.3
238.17220	3.7
239.14246	3.3
239.17960	19.9
240.18742	3.6
241.15883	3.3
241.19484	8.0
243.13744	2.7
243.17532	2.0
243.21234	3.9
245.15381	6.7
247.17007	7.2
249.16367	2.0
251.18079	2.7
253.19539	4.5
255.17584	3.4
255.21068	4.7
257.15366	3.4
259.17157	1.9
265.19501	2.9
266.16534	1.8
270.16141	1.9
271.16724	1.7
279.21164	4.9
281.22626	14.5
282.23282	2.0
283.16885	2.5
283.24237	6.9
305.17310	2.1
307.19440	2.1
309.22217	5.7
313.21805	2.8
327.23151	7.9
335.23642	2.1
341.25061	3.4
353.24713	3.9
365.24860	2.4
367.22620	2.5
379.26575	3.9
381.27747	2.3
385.23715	2.0
387.25397	8.9
395.29660	6.5
403.30179	3.9
421.31033	80.3
422.31339	10.1
422.36292	2.1
423.32617	65.7
424.32886	7.2
431.29422	14.9
432.29236	3.0
439.32016	12.0
445.25662	3.0
449.30457	51.5
450.30737	4.0
467.31717	15.9
471.26974	2.1
485.32513	5.4
486.32571	3.1
491.31540	3.3
509.32681	10.8
527.33710	22.2
528.33832	2.2
576.98895	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90049	4.6
52.07249	4.2
53.97008	4.7
54.30165	4.7
55.05514	13.8
59.04998	6.2
67.05505	27.6
67.07499	4.5
69.07058	11.7
69.12634	14.6
69.13058	27.2
71.08611	4.9
79.05475	17.4
81.07051	29.0
83.04998	9.9
83.08615	8.2
91.05486	13.8
93.07027	31.3
95.04964	9.6
95.08606	74.9
99.55605	5.0
105.07023	27.9
107.08591	48.3
109.10146	20.3
111.08070	7.2
112.51835	5.0
117.06997	8.8
119.08583	35.1
121.10139	31.4
123.08062	12.7
123.11660	13.6
129.06972	7.8
131.08588	24.6
133.10110	31.6
135.11687	18.2
139.07578	9.6
143.08531	13.6
145.10124	29.0
147.08095	7.2
147.11720	24.4
149.09596	7.9
149.13271	6.3
155.08542	15.5
157.10133	23.9
158.10866	6.2
159.08070	5.2
159.11711	35.2
160.12323	5.4
161.09702	9.0
161.13219	12.4
163.11272	5.7
169.10153	13.9
171.11662	20.6
173.09593	9.3
173.13210	25.9
175.11214	9.9
175.14827	11.5
183.11696	14.4
185.13257	12.1
187.14877	14.2
189.12762	6.5
189.16571	5.2
195.11545	8.1
197.13235	14.1
199.14867	7.5
201.12723	9.1
201.16380	7.7
207.11775	6.7
209.13229	12.6
211.14799	12.9
213.16345	6.8
215.14297	11.8
225.16428	14.5
227.14281	7.7
229.15755	12.3
231.13704	6.4
233.15311	10.2
239.14290	6.7
245.15436	5.7
247.17004	12.5
265.19308	6.1
267.21036	13.6
307.49469	5.4
309.22186	9.4
318.75848	6.3
325.21729	8.9
327.22998	7.1
353.24512	5.3
403.30331	7.8
405.27524	5.6
407.29459	35.1
421.31015	18.2
423.28656	5.8
425.30539	53.5
426.30865	12.6
431.29501	30.1
449.30508	74.9
467.31454	100.0
468.31815	12.7
485.32660	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
54.51704	0.9
55.01867	2.8
55.05502	2.3
57.03436	5.9
61.02918	1.3
67.01852	1.1
67.05492	3.9
69.03428	20.9
69.07072	1.7
69.82759	1.1
71.01337	2.1
71.04982	4.9
71.31110	1.3
73.02919	15.4
79.05495	3.0
81.03416	3.1
81.07074	6.5
83.04977	4.3
85.02902	19.3
87.04462	1.7
91.05464	4.0
91.12778	0.8
93.07035	4.0
95.04966	4.1
95.08589	2.9
96.91106	1.0
97.02284	1.2
97.02896	18.0
97.06551	2.7
99.04449	11.2
105.07044	3.5
106.07373	1.1
107.04920	1.4
107.08601	3.0
109.02883	2.3
109.06525	2.3
109.10153	2.5
111.04451	4.4
113.02431	0.9
113.06006	0.9
115.03932	5.1
117.06944	1.1
118.06578	1.1
119.04937	1.1
119.08593	3.7
121.02871	2.3
121.06517	3.3
121.10188	1.4
123.04431	3.7
123.08025	1.6
125.06004	1.3
127.03922	3.8
129.07005	1.4
131.08530	2.5
133.04912	1.2
133.10178	2.1
135.04402	1.7
135.08054	2.3
137.02386	2.6
137.05965	3.5
139.03885	1.7
139.07533	1.2
143.08524	1.3
145.04971	1.9
145.06526	1.1
145.10129	2.2
147.04396	2.7
147.08069	1.2
147.11667	1.8
149.06001	1.7
151.03947	1.0
151.07542	1.2
153.01834	4.7
155.08580	1.5
157.05083	1.0
157.10144	2.7
159.08057	1.4
159.11667	1.6
163.06111	1.3
166.66092	1.0
167.06979	0.9
169.10167	1.4
171.11702	1.0
175.07657	0.9
181.10237	1.0
183.11691	1.3
185.05911	1.6
185.09663	1.8
195.06552	12.0
197.13107	1.2
199.14738	1.0
211.11134	1.4
213.07553	18.2
214.07813	1.2
221.13301	1.9
225.12657	1.4
233.15306	1.8
235.16966	2.5
249.33104	1.1
258.05270	1.2
267.14001	1.6
287.05484	100.0
288.05856	5.1
303.04956	2.4
311.16556	1.1
315.04797	1.9
421.23483	1.2
433.23529	3.3
449.26471	1.0
451.24899	1.8
457.23575	1.1
469.25885	2.3
473.23053	1.3
475.24554	1.1
481.25430	1.1
491.24185	2.2
492.24634	1.8
493.25787	1.5
562.32397	5.7
563.20825	2.2
563.28149	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1545
Annotation	3,5,7,4'-Tetrahydroxyflavan-(4-O-4)-3,5,7,4'-tetrahydroxyflavan
Peak:m/z	Relative Intensity
51.02382	1.0
53.03935	1.4
55.01867	2.9
55.91757	0.6
61.35515	0.7
64.36973	0.7
65.03927	1.2
65.97505	0.7
65.99420	0.8
66.52467	0.7
67.26521	0.7
68.99783	5.6
71.30510	1.2
77.03933	1.2
79.05498	2.3
79.65385	0.7
83.04955	0.9
85.51918	0.7
91.05481	7.0
95.04952	3.5
103.05461	0.7
105.07041	1.0
107.04950	100.0
108.05287	2.0
111.00793	2.5
111.04445	3.5
115.05460	1.2
119.04940	53.3
121.02863	6.8
123.04424	29.2
127.03903	3.2
128.06241	1.0
131.04869	1.2
133.06474	7.8
135.04385	2.2
137.02327	0.8
137.05943	1.0
139.03896	34.1
144.05635	0.8
144.08046	3.6
145.06479	11.5
147.04402	56.5
148.04758	1.4
149.02333	6.8
151.03903	11.7
153.06950	0.7
157.06494	4.2
159.08020	1.0
161.05971	7.4
163.03868	6.0
165.05479	5.3
165.06894	1.6
167.03383	17.2
169.06444	1.2
171.04369	8.8
171.05627	1.1
171.07957	1.1
171.51440	0.8
175.03912	4.2
177.05481	2.4
179.03380	8.6
181.06485	1.9
185.05969	3.2
187.03920	2.2
187.07574	3.1
189.05472	10.2
191.03395	14.5
193.04962	3.0
199.07539	3.3
201.05449	4.7
203.03378	10.1
203.06953	1.3
204.03711	0.7
205.04967	1.7
207.06509	1.3
211.07599	1.6
213.05466	3.5
215.03508	1.8
215.07130	1.8
217.04965	1.5
227.06950	5.0
229.04971	3.9
231.06508	25.9
233.04416	5.1
239.07004	2.7
243.06525	11.0
244.07074	1.1
245.04427	7.3
245.08081	4.5
251.05484	2.4
255.06505	16.6
257.04428	8.8
257.07126	1.1
257.08032	1.0
258.05035	0.8
259.51483	0.9
267.06552	4.6
269.04340	2.2
271.05933	1.4
273.07562	23.9
275.05475	19.2
276.06036	0.9
279.06415	1.0
285.07574	16.3
287.05478	27.3
288.05893	1.8
291.08572	10.8
299.05426	4.5
303.08551	1.7
393.09671	18.6
395.11279	3.0
406.91147	0.9
409.09106	5.4
411.10626	3.2
421.08679	1.0
427.10275	2.2
546.58472	0.9
563.23199	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2095
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
59.13403	0.3
63.81168	0.3
68.56659	0.4
69.18765	2.5
69.19179	0.7
83.01115	1.0
84.01900	0.5
86.18758	0.4
95.01095	2.1
96.01893	1.1
107.04946	0.5
110.92007	0.4
112.01348	1.0
113.02132	2.5
137.05968	0.5
157.04796	0.9
159.04131	0.6
163.07506	0.6
167.03174	0.7
185.04221	4.9
185.05698	0.7
189.05240	0.5
201.03748	1.4
202.06100	1.1
203.05255	4.6
203.06677	0.3
204.07578	5.1
205.08176	0.5
256.11560	0.4
352.49741	0.5
353.13666	1.1
365.12088	1.6
401.15582	0.5
563.20978	100.0
564.21295	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.21
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
59.48465	0.4
69.36283	1.1
69.36690	1.0
70.06580	0.7
82.01730	0.3
90.31509	0.3
91.05532	0.4
98.97563	0.4
105.86659	0.3
121.29384	0.3
123.04449	0.7
137.05984	0.9
145.82814	0.3
159.04193	2.5
191.09334	0.3
201.03699	0.5
217.16066	0.4
246.15825	0.3
268.29813	0.3
287.06052	0.3
337.12643	1.0
351.10757	0.9
365.12314	0.9
366.12762	2.7
401.11612	0.4
411.15170	0.7
460.94467	0.3
513.11426	0.4
518.51697	0.4
551.95721	0.3
563.20978	100.0
564.21295	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2487
Annotation	(2'S,3'R,4'S,7'R,8R)-7'-Deoxo-2'-deoxy-2',3'-epoxy-4',8-dihydroxy-7'-[(1R)-1-hydroxyethyl]verrucarin A
Peak:m/z	Relative Intensity
50.15051	0.9
55.05513	2.5
56.96564	1.2
57.03408	1.4
67.05504	1.6
69.03424	4.5
69.07084	1.3
69.23102	5.7
69.23504	2.5
79.05488	2.1
81.07045	2.9
83.05002	1.4
91.05484	4.9
93.07052	2.5
95.04976	2.0
95.08616	3.0
97.02894	1.6
97.06528	3.3
105.07021	6.1
107.04893	1.1
107.08597	5.8
109.06535	4.7
109.10147	1.3
111.08097	2.9
115.05453	2.0
117.07033	4.6
119.08586	4.3
121.06526	2.8
121.10139	1.9
123.04404	1.9
123.08070	3.8
124.14101	1.0
127.03867	1.0
128.06210	2.0
129.07005	3.1
130.07773	1.3
131.08569	7.0
133.06453	1.8
133.10132	3.7
135.08057	6.0
137.05983	2.6
139.03917	2.9
139.07550	4.0
141.06989	1.9
142.07712	1.8
143.08543	5.9
145.06490	1.2
145.10152	7.0
147.08018	3.5
147.11678	2.5
149.06035	1.4
149.09625	2.4
151.07550	2.4
153.06967	1.9
154.07759	1.6
155.08549	7.6
157.06503	1.3
157.10135	4.7
159.08057	4.3
159.11729	6.6
161.05951	1.4
161.09636	9.7
161.13272	1.4
163.07550	2.8
163.11182	2.9
167.08456	1.3
169.08870	1.6
169.10144	6.5
171.08064	3.1
171.11688	2.7
173.09616	4.9
175.07620	1.7
175.11201	1.9
177.09172	1.9
179.10574	1.2
181.10028	1.4
183.08273	1.1
183.11700	1.5
185.09637	3.6
185.13287	1.6
186.10361	1.4
187.11209	7.7
189.09135	3.7
191.10675	1.6
193.10162	2.0
194.11105	1.5
195.11679	2.0
197.09634	3.0
197.13277	2.0
198.10292	1.2
199.11136	2.7
201.09108	1.2
203.10587	2.8
207.11729	2.0
209.13264	2.0
211.11203	1.9
213.09171	2.1
215.10606	1.3
223.11353	1.6
225.12727	1.6
227.14270	1.3
229.12187	1.5
231.09932	1.5
237.02779	1.4
237.12762	1.7
253.05719	1.0
253.12141	1.7
255.13806	1.0
263.14331	1.1
277.12241	1.4
277.15717	1.4
285.07635	1.2
291.17358	1.6
295.17035	1.6
309.14948	1.2
309.18701	1.3
319.16907	1.3
337.17929	2.8
347.16299	1.5
365.17526	3.6
375.19452	1.9
377.21008	2.1
379.18640	1.8
383.18552	1.3
393.16537	2.6
393.21109	1.6
395.22269	2.5
405.20624	2.5
411.17905	3.0
421.20035	3.5
423.21515	2.7
439.21085	16.2
440.21564	1.5
441.22818	13.3
449.19470	1.6
453.19031	3.0
457.22339	3.6
463.21442	1.4
467.20807	10.0
468.20813	1.3
471.20142	3.0
481.21872	1.4
483.23669	2.1
485.21707	100.0
486.22116	11.1
487.23166	6.2
503.23184	36.6
504.23166	4.4
509.21625	4.7
518.11267	1.1
527.22729	22.2
528.22919	3.9
545.23755	2.8
563.20648	11.4
563.39319	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75611	1.1
53.03931	1.0
55.01871	1.4
55.05502	1.8
57.03442	1.5
57.16539	1.0
67.05502	3.8
69.03423	5.5
69.07069	2.1
69.18729	8.5
71.04989	1.7
72.59540	0.9
73.64842	0.9
79.05479	3.7
81.07052	4.9
83.04990	2.3
85.02893	1.3
91.05483	5.9
93.07037	4.0
95.04965	2.7
95.08599	4.3
97.06503	1.4
98.22492	1.6
101.01205	0.9
105.07052	8.0
107.04942	2.3
107.08574	5.3
109.06521	6.5
109.10137	1.3
111.04423	1.4
111.08096	3.2
115.05447	1.1
117.07038	6.5
119.04950	1.1
119.08601	5.9
121.06506	4.4
121.10173	1.3
123.04436	1.7
123.08077	4.5
128.06204	2.1
129.07004	4.3
131.04984	1.2
131.08569	8.2
133.06499	3.0
133.10144	3.0
135.08029	5.0
137.06009	4.7
137.09642	1.7
139.03900	8.9
139.07541	3.6
141.06989	4.6
142.07742	2.6
143.06828	1.6
143.08560	6.4
144.09250	1.3
145.06482	2.1
145.10123	6.1
147.08026	4.2
147.11688	1.7
149.05998	2.3
149.09612	4.6
151.07553	1.8
153.06923	1.3
154.07777	3.6
155.07404	1.4
155.08551	8.5
157.10074	4.8
159.08076	5.4
159.11693	9.3
160.08836	1.0
161.05977	2.1
161.09605	5.4
163.07559	2.2
163.11200	2.3
167.07196	1.0
167.08557	3.5
169.10127	13.0
170.10654	1.0
171.08035	2.1
171.11673	3.3
173.09607	6.6
175.07576	2.6
175.11165	3.0
177.05408	1.3
177.09146	3.6
177.12828	1.1
179.08559	1.9
179.10675	1.4
181.10045	2.5
183.08055	1.9
183.11679	3.2
185.09579	4.7
185.13216	1.1
187.07567	2.3
187.11186	11.2
188.11536	1.2
189.09096	3.6
191.10628	2.2
193.10103	2.5
195.08081	1.8
195.09981	1.2
195.11687	2.4
197.09627	2.8
199.11191	3.4
201.09142	1.8
201.12773	1.4
203.10730	1.7
205.08528	1.8
207.10052	2.1
207.11726	1.2
209.09631	2.1
209.13176	2.2
211.11205	1.9
213.09068	1.9
213.12694	2.6
215.10782	1.6
217.12216	1.7
219.11900	1.4
223.11281	2.1
223.14679	1.2
225.12759	1.4
227.10683	1.6
227.14337	1.8
229.12306	2.7
234.10249	1.2
235.11214	1.7
237.12700	2.5
239.10713	1.5
239.14511	1.6
248.52998	1.0
253.12163	1.2
255.13725	2.4
261.12997	3.0
265.12210	1.9
275.14029	1.2
277.15787	2.0
287.05612	1.2
295.16956	2.2
305.15298	3.1
319.16904	1.7
321.18250	1.2
321.21957	1.0
323.16449	2.6
327.13953	1.3
333.13959	1.2
337.18152	1.2
347.16226	2.0
365.17267	2.6
375.19440	2.1
377.01773	2.3
377.21091	4.1
390.46533	1.2
393.20551	3.4
395.22058	4.8
397.19916	1.4
403.18994	3.2
405.20435	2.6
421.20059	5.1
423.21667	3.5
435.21942	1.4
439.21078	22.4
440.21249	2.8
441.22827	25.6
442.23114	2.7
449.19507	2.5
455.18924	1.2
457.21896	4.8
463.21011	1.6
465.22632	2.0
467.20706	12.9
468.21051	2.6
481.22189	1.1
483.23877	3.0
485.21689	100.0
486.22113	12.2
491.20691	1.2
499.22958	1.9
501.25040	2.5
503.22852	54.0
504.23221	4.8
509.21576	3.7
527.22723	22.2
528.23254	2.4
545.24030	5.8
563.18909	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.3
57.03416	0.5
59.04996	0.2
61.02910	0.7
67.61860	0.1
69.03431	2.2
69.07066	0.3
69.35202	0.9
69.35600	0.4
71.04967	0.3
73.02883	0.3
75.04469	0.4
79.05481	0.3
81.03394	0.9
81.07054	0.9
84.30627	0.2
85.02418	0.3
85.02905	4.3
87.04474	0.4
91.03977	0.2
91.05480	0.4
93.07032	0.3
97.02911	1.6
97.75542	0.2
99.04432	0.5
105.07040	0.4
107.08594	0.3
109.02830	0.5
109.06509	0.4
115.05428	0.2
117.07019	0.2
118.62762	0.2
119.08519	0.3
121.06522	0.3
127.03906	0.9
129.07010	0.4
131.08563	0.3
132.08855	0.2
133.06435	0.2
133.10233	0.2
135.08037	0.3
137.05978	1.1
138.06393	0.2
139.07565	0.2
143.08574	0.4
145.05052	0.3
145.06491	0.5
145.10085	0.3
147.08029	0.3
155.08542	0.5
159.08038	0.7
162.24315	0.2
167.07048	0.5
167.08524	0.2
169.06441	0.5
169.10133	0.2
173.09586	0.6
175.07533	0.4
179.08463	0.3
181.06453	0.3
181.08614	2.4
183.07993	0.3
187.07568	0.6
189.09109	0.3
191.06995	0.3
192.09406	0.2
193.10223	0.3
195.08110	0.4
196.05133	0.2
197.05943	0.4
197.09561	0.3
199.07451	0.6
201.09071	0.7
203.10832	0.2
205.08466	0.3
205.10220	0.3
207.11703	0.2
209.05994	0.4
209.09607	0.3
210.06712	0.5
210.10170	0.2
211.07527	1.2
211.10963	0.2
213.05438	0.3
213.09036	0.3
214.06195	0.5
215.06949	0.2
217.08501	0.3
219.08110	0.3
219.10083	0.4
221.05930	0.2
221.09695	0.2
222.06671	0.3
223.07530	0.6
223.11177	0.6
224.08324	0.4
225.05540	0.8
225.09041	1.1
226.06227	0.4
226.09828	0.5
227.07034	1.4
227.10530	0.3
228.07867	0.3
229.08629	0.7
233.09535	0.5
233.11641	0.3
234.10425	0.4
235.07506	0.4
235.11108	0.8
236.08298	0.3
236.11766	0.3
237.05463	0.4
237.09023	0.7
237.12785	0.3
238.06207	0.4
238.09782	0.3
239.07054	1.5
239.10681	0.6
240.07803	1.8
240.11398	0.6
241.04893	0.4
241.08603	1.4
241.12158	0.3
242.05708	0.4
242.09335	0.7
243.06464	1.4
243.10210	0.4
247.07516	0.4
247.11000	0.4
247.13266	0.4
248.08281	0.7
248.12013	0.3
249.09036	1.1
249.12749	0.2
250.06244	0.2
250.09862	0.3
251.07106	0.5
251.10677	1.4
252.07797	0.6
252.11345	0.6
253.04919	0.3
253.08615	1.9
253.12231	0.3
253.15854	0.3
254.05853	0.4
254.09377	3.1
254.16559	0.3
255.06526	2.7
255.10138	1.0
256.07269	1.5
256.09714	0.2
256.10873	0.2
257.08035	2.5
257.11725	0.3
258.08801	1.3
259.05991	0.9
259.09485	0.2
261.09140	0.8
261.11670	0.2
262.09897	0.6
263.10709	2.3
264.07742	0.6
264.11441	2.5
265.08563	1.3
265.12128	0.8
266.09332	0.5
266.12964	0.3
267.06439	0.9
267.10233	0.9
267.13763	0.7
268.07343	0.8
268.10922	2.7
269.04892	0.3
269.08069	2.5
269.11566	0.8
270.05548	0.4
270.08832	3.5
271.06039	1.6
271.09595	2.3
271.12869	0.4
272.06790	0.7
272.10294	0.5
273.07477	1.1
274.08344	0.8
275.10916	0.4
276.11285	0.4
277.08578	1.1
277.11832	1.0
278.09277	0.6
278.12943	1.0
279.06879	0.5
279.10165	3.2
279.13757	2.7
280.07721	0.3
280.10892	2.6
280.13913	0.3
281.08047	1.5
281.11621	1.1
281.14783	0.2
282.08841	1.3
282.12079	0.4
283.06039	1.5
283.09616	1.1
283.13205	0.5
284.06778	0.9
284.10422	1.9
284.13657	0.3
285.07596	1.6
285.11169	3.0
286.08334	4.2
287.05542	0.9
287.09073	1.6
289.10706	0.8
290.09271	0.4
291.10120	2.0
292.07678	0.3
292.10852	2.5
293.08057	1.2
293.11667	2.7
294.08752	0.6
294.12390	1.5
295.09671	1.7
295.13272	5.7
296.07135	0.4
296.10388	2.1
296.13812	0.6
297.07544	1.3
297.11145	1.0
298.08414	2.7
298.11823	0.4
299.09103	4.0
299.12677	1.4
300.09787	0.8
300.12927	0.3
301.07098	1.3
301.10657	4.4
302.07837	1.8
302.11279	0.5
303.08569	1.3
305.11588	0.7
306.09155	0.3
306.12408	2.0
307.09595	2.4
307.13251	3.7
308.10394	2.2
308.14029	2.0
309.07690	0.3
309.11154	2.9
309.14807	2.0
310.11832	0.7
310.15619	1.4
311.09109	1.0
311.12766	2.1
312.09863	1.5
312.13504	0.7
313.10690	7.8
314.08304	0.1
314.11395	4.9
315.08554	2.0
315.12183	1.7
316.09402	1.8
317.10184	5.9
318.10916	3.8
321.11218	0.6
322.11966	1.5
322.15500	0.3
323.12741	13.0
324.09824	0.5
324.13446	3.6
325.10623	1.4
325.14240	0.5
326.11346	0.9
326.15198	0.7
327.12228	4.2
327.15939	1.5
328.09265	0.4
328.13022	6.0
328.16891	0.4
329.10162	1.3
329.13538	0.7
330.10989	2.1
331.11719	5.5
332.12503	13.4
333.13126	1.9
337.14310	4.0
338.15079	9.9
339.12170	3.8
339.15891	6.2
340.12979	1.7
340.16470	0.4
341.13770	0.9
341.17487	1.8
342.14365	0.3
343.11618	1.1
343.15366	0.4
344.12585	1.7
345.13293	7.3
346.13934	1.3
352.16632	0.8
353.13766	0.5
354.14575	3.1
355.15369	11.8
356.15903	1.2
357.13293	0.7
358.14120	0.9
359.14883	6.9
359.18579	0.3
360.15240	0.6
369.16953	19.9
370.17706	30.4
371.14084	2.4
371.19064	2.0
372.15277	1.0
373.16309	0.5
386.17230	6.6
387.17749	0.5
401.19556	100.0
402.19916	7.1
409.23645	0.3
410.24097	0.7
413.19717	0.2
421.23877	0.2
469.22253	0.4
486.22122	0.8
524.83063	0.2
527.21777	0.2
546.24493	0.2
563.24872	4.8
564.25250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2488
Annotation	(2'S,3'R,4'S,7'R,8R)-7'-Deoxo-2'-deoxy-2',3'-epoxy-4',8-dihydroxy-7'-[(1R)-1-hydroxyethyl]verrucarin A
Peak:m/z	Relative Intensity
53.03946	1.5
55.01876	2.6
55.05504	1.9
56.75148	1.1
67.05505	4.9
69.03430	53.4
69.07745	1.8
69.08146	10.2
79.05513	6.4
81.07066	3.7
83.04975	1.9
83.39387	1.1
87.04476	3.9
91.05482	12.0
93.07043	9.7
95.04978	17.2
95.08620	5.3
97.02921	1.3
97.06542	3.5
99.04413	2.0
99.08070	2.1
103.05467	2.0
105.07038	14.7
107.04976	5.0
107.08600	5.8
109.06503	10.7
109.10177	1.2
111.04446	2.4
111.08073	3.4
113.05992	1.5
115.03959	3.4
115.05490	3.7
117.07001	8.3
119.04960	4.6
119.08579	6.7
121.02905	1.3
121.06509	21.7
121.10182	2.2
123.04438	1.8
123.08073	11.0
125.06011	2.3
128.06221	4.7
129.07014	9.5
131.04915	3.3
131.08560	11.4
133.06493	14.4
133.10146	4.1
135.04420	2.9
135.08057	23.7
137.06050	8.5
137.09689	2.1
139.03931	2.5
139.07536	27.5
140.16298	1.5
141.07022	4.9
142.07784	3.9
143.05009	1.4
143.08568	11.8
145.06473	10.8
145.10114	7.7
147.08047	17.3
147.11716	2.8
149.05997	5.6
149.09622	46.0
150.09978	1.9
151.07527	11.6
152.06207	1.7
153.05501	6.1
153.06996	2.5
155.07397	1.4
155.08571	9.9
155.10661	1.4
156.09213	1.3
157.06476	3.5
157.10118	9.2
158.07285	2.5
159.08064	23.2
159.11703	3.1
160.08884	1.7
161.06041	3.1
161.09621	9.5
162.10352	1.3
163.07564	4.1
163.11255	6.7
165.05440	1.5
165.06953	3.4
165.09137	6.9
167.07056	3.4
167.08589	5.5
168.09328	2.7
169.06584	1.7
169.10136	6.8
171.08061	11.5
171.11719	2.8
172.08873	2.5
173.05965	2.0
173.09618	23.1
175.07541	6.1
175.11212	9.0
176.08234	1.3
177.05484	2.1
177.09082	8.1
179.07027	4.0
179.08577	5.7
180.09215	1.7
181.06473	1.9
181.08604	9.9
181.10144	10.0
182.07297	2.5
183.08067	5.0
183.11716	5.3
184.08781	2.8
185.06015	1.4
185.09634	11.8
185.13156	1.6
186.10327	2.6
187.07608	6.3
187.11206	15.3
189.09102	8.0
189.12743	2.6
191.07045	2.9
191.08681	2.3
191.10741	2.7
192.09344	1.6
193.08615	6.1
193.10193	4.0
194.11026	1.6
195.08299	3.0
195.10164	81.6
195.11490	5.0
196.08873	1.5
196.10561	3.7
197.09644	7.1
197.13307	2.0
198.10435	2.6
199.07562	2.6
199.11189	13.2
200.08205	1.4
201.09109	12.3
201.12770	2.8
203.07008	2.9
203.08888	2.3
203.10652	9.4
205.08548	2.3
205.10265	2.3
205.12202	1.7
206.11018	2.1
207.10165	9.5
207.11787	4.0
209.09604	4.5
209.11703	3.2
209.13379	2.9
211.07539	3.3
211.09567	3.1
211.11296	9.7
213.07523	4.3
213.09325	7.2
213.12775	4.5
215.06979	1.5
215.10640	6.0
217.08600	4.4
217.10431	1.8
217.12357	1.4
218.09177	1.5
219.08324	1.7
219.09938	6.1
219.11974	1.9
221.09659	2.8
221.11615	21.3
223.11194	5.6
225.09157	2.0
225.12744	4.9
227.10693	8.5
227.14380	2.0
229.08615	3.8
229.12263	4.7
231.10190	4.1
231.13773	2.2
232.12500	2.1
233.09676	2.6
233.11490	8.5
234.10339	1.9
235.11131	4.4
237.09190	2.1
237.12776	4.8
239.10690	5.7
239.14417	2.2
241.08585	2.7
241.12228	4.7
243.10013	5.8
243.13791	2.2
245.11545	2.2
245.13538	1.9
247.11348	1.9
247.14948	2.6
249.13042	3.0
251.10620	2.9
251.14311	3.4
253.12280	6.1
255.10318	1.7
255.13745	4.5
257.11752	4.8
259.13303	2.9
261.12802	2.7
263.10645	2.1
263.14423	2.2
265.12308	4.9
266.13120	1.9
267.13879	3.5
269.11868	4.6
271.09561	2.0
271.13251	3.6
273.12729	2.4
274.13547	2.1
275.14407	1.4
277.11975	2.9
278.12479	1.5
279.13934	3.3
281.11914	3.0
283.13434	3.2
287.12506	3.0
289.10605	9.9
289.15747	1.5
291.14008	2.1
293.15237	3.5
295.13361	2.2
297.14960	2.0
299.12927	3.7
303.13696	3.0
303.17120	1.6
305.15250	4.4
307.12949	1.5
307.16748	1.9
309.14798	2.8
311.12665	2.2
313.14273	2.9
317.14233	1.2
319.12976	1.6
321.14792	5.0
321.18213	1.8
323.12756	2.4
323.16391	2.1
329.14230	3.9
331.16541	1.7
335.16467	2.5
341.13843	3.9
345.14819	3.0
347.16299	2.3
349.17932	3.4
351.15903	3.0
353.17728	2.1
359.15421	5.0
361.18027	2.3
363.15762	4.1
365.17538	4.6
367.19153	3.3
373.18082	2.2
375.15778	3.4
377.16559	9.0
379.19028	3.5
381.16843	2.3
389.17447	3.7
391.19193	6.7
393.16913	4.4
403.19086	3.2
405.16641	3.3
405.21262	2.1
407.18488	4.2
409.20062	6.7
411.17902	2.3
413.19669	5.9
417.16202	1.6
419.18518	5.8
421.20041	4.7
423.17645	4.2
423.22092	3.6
425.19464	2.2
427.20947	1.6
431.18613	4.1
433.20145	3.8
435.17377	3.1
436.18484	1.8
437.19193	12.0
439.21024	3.5
441.19012	6.5
447.21829	5.8
449.19510	13.5
451.21368	6.8
452.21149	1.8
453.18799	4.2
455.20483	2.2
457.22058	3.5
459.19937	10.4
461.19464	3.1
463.21182	4.9
465.22809	17.6
467.20557	11.8
469.22281	3.8
471.20242	3.8
473.19641	1.7
479.20721	12.0
481.22318	5.3
483.23862	16.1
484.23972	1.8
485.21637	3.7
489.21149	10.9
491.20615	14.1
492.21240	2.2
497.21640	36.3
498.21927	1.9
499.23242	10.3
509.21689	63.2
510.21832	7.7
517.24115	9.4
527.22760	80.4
528.22931	9.6
535.25256	3.4
545.23828	100.0
546.24200	11.0
563.25464	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2487
Annotation	(2'S,3'R,4'S,7'R,8R)-7'-Deoxo-2'-deoxy-2',3'-epoxy-4',8-dihydroxy-7'-[(1R)-1-hydroxyethyl]verrucarin A
Peak:m/z	Relative Intensity
53.03941	1.4
55.01875	1.8
55.05506	2.2
59.04996	1.5
60.66909	0.5
65.03940	1.0
67.05507	4.3
68.99798	0.6
69.03429	46.1
69.07076	2.2
69.51845	1.1
69.52247	1.4
71.04985	1.0
77.03971	0.9
79.05482	6.3
79.10789	0.4
81.03418	1.0
81.07051	5.7
83.04967	3.4
85.02908	1.6
85.06578	0.6
87.04470	2.9
91.05481	12.1
92.05795	0.5
93.07048	6.7
95.04970	9.0
95.08609	6.5
97.02903	0.9
97.06519	2.3
99.04457	1.9
103.05455	1.2
105.07026	12.1
107.04962	3.6
107.08592	7.7
109.02847	0.8
109.06519	11.5
109.07230	0.7
109.10176	1.0
111.04462	2.1
111.08093	2.8
113.05994	1.2
115.03931	2.8
115.05426	3.7
116.06258	0.8
117.07010	8.7
119.04950	2.2
119.08573	7.3
121.06507	14.7
121.07351	1.0
121.10159	1.9
123.04449	1.6
123.08076	10.4
123.11828	0.6
125.06009	2.3
125.09667	0.6
128.06218	5.9
129.07002	10.3
130.07809	1.4
131.04964	2.2
131.08565	11.3
131.09482	0.8
133.06496	8.2
133.10136	5.4
135.04419	1.1
135.08049	17.7
137.05984	5.9
137.09636	2.4
139.03897	0.8
139.07538	27.4
141.06995	6.8
142.07794	5.0
143.08554	11.6
144.05728	0.7
144.09274	1.0
145.06462	6.2
145.10104	7.7
146.07222	0.6
147.04424	1.0
147.08035	10.2
147.11703	2.8
148.08824	0.6
149.05986	4.0
149.09615	27.1
150.09958	0.8
151.04037	0.5
151.07545	10.5
152.06265	0.6
153.05493	7.4
153.06989	2.7
154.07774	2.6
155.08562	9.7
156.09326	2.2
157.06479	2.4
157.10121	8.6
158.07266	1.1
158.10602	0.9
159.08058	10.7
159.11697	4.6
160.08789	2.1
161.05988	1.1
161.09624	8.1
161.13300	0.7
162.10405	1.7
163.07574	2.1
163.11188	5.1
165.05632	0.7
165.06989	2.7
165.09120	5.1
166.07770	2.6
167.05785	0.6
167.07076	1.2
167.08600	5.2
168.09303	2.7
169.06471	1.2
169.08629	1.9
169.10147	8.5
170.07312	0.8
171.06593	1.2
171.08038	6.5
171.11714	4.3
172.08820	1.9
173.05988	1.2
173.09619	11.2
173.11139	0.7
173.13284	1.5
174.10437	3.0
175.07574	3.0
175.11168	5.3
177.05537	0.6
177.09090	4.4
177.12794	0.7
178.07800	1.3
179.07001	1.4
179.08569	4.1
179.10750	1.6
180.09323	1.7
181.06544	0.8
181.08601	4.9
181.10152	7.8
182.10832	0.8
183.08076	4.1
183.11667	3.5
184.08832	1.9
185.05910	0.6
185.09605	8.1
185.13274	1.7
186.10402	1.5
187.07576	2.9
187.11162	8.0
188.08194	0.6
188.11926	2.2
189.05490	0.6
189.09102	4.2
189.12740	1.3
191.07045	0.6
191.08607	1.6
191.10699	2.5
192.09358	2.1
193.08609	5.2
193.10202	4.6
194.07310	0.7
194.10909	1.6
195.06490	2.8
195.08182	3.9
195.10147	48.4
195.11693	4.5
196.08873	0.9
196.10536	1.6
196.12352	0.9
197.09593	4.9
197.13303	2.4
198.10342	1.3
199.07556	3.4
199.09531	0.8
199.11169	6.0
199.15018	0.9
200.08385	0.8
200.11852	1.0
201.09114	4.3
201.12820	3.4
203.06963	0.7
203.08742	1.0
203.10623	6.5
204.09338	1.0
205.08508	1.0
205.10196	1.5
205.12167	0.8
206.10872	1.6
207.08099	0.9
207.10176	12.4
207.11790	3.7
208.08891	1.3
208.12399	0.8
209.09718	5.0
209.11662	1.6
209.13319	3.0
210.10341	1.2
211.07568	1.1
211.09630	2.4
211.11375	4.2
211.14856	1.1
212.08368	0.9
212.11914	1.4
213.07547	2.2
213.09317	4.6
213.12709	4.6
214.13503	1.2
215.10622	3.4
215.14403	0.7
216.09341	1.2
216.11371	0.8
217.08519	1.3
217.10199	1.4
217.12236	1.5
218.10973	0.9
219.08195	0.9
219.09998	1.1
219.11800	2.7
220.08713	0.6
220.12393	1.0
221.09607	2.3
221.11545	9.5
222.10402	1.8
223.07681	0.9
223.11192	4.2
223.14784	1.1
224.11905	1.0
225.09138	1.9
225.12721	3.0
226.09761	0.8
226.13509	0.6
227.10696	5.6
227.14278	1.6
228.11516	0.6
229.08427	0.9
229.10333	0.7
229.12267	2.0
229.15883	0.8
230.10950	0.9
230.12962	0.7
231.09760	2.5
231.12001	1.1
231.13791	0.7
232.08781	0.8
232.12628	1.1
233.09587	1.1
233.11583	1.6
233.13692	2.5
234.10280	1.1
235.11360	3.1
235.14885	1.2
236.11913	1.1
237.09102	1.3
237.12886	3.5
238.09732	0.6
238.13466	0.6
239.10738	2.7
239.14346	2.1
240.11157	0.8
241.08627	1.2
241.12196	3.3
243.10146	1.9
243.13902	1.3
244.10812	0.9
245.11449	5.2
245.15454	0.7
246.10249	0.6
246.14009	0.7
247.11172	1.9
247.13350	1.5
247.15286	0.6
248.11819	0.7
249.11014	1.2
249.12854	2.0
249.16527	1.2
250.13541	0.6
251.10760	1.9
251.14391	2.5
252.11472	0.8
253.12346	3.1
253.15970	1.1
255.10265	1.7
255.13893	1.9
257.13409	0.7
257.15549	0.7
258.10220	0.6
259.11136	1.0
259.13498	1.7
260.11850	1.0
261.12939	2.4
261.16434	0.6
262.13577	0.7
263.10788	1.1
263.14426	2.7
264.11328	0.5
265.12335	2.9
265.15948	1.8
266.13104	1.5
267.13849	3.0
267.17014	0.7
269.11795	0.8
269.15503	0.7
271.13388	1.9
273.11078	1.0
274.13425	0.8
275.10336	0.7
275.12933	0.8
275.14566	0.5
276.11292	0.6
276.14908	0.8
277.12292	2.5
277.15771	1.6
279.13852	3.1
279.17419	1.4
281.11819	1.5
281.15494	1.1
283.13361	2.3
284.14081	0.7
285.14990	1.7
287.05539	0.8
287.14166	0.7
289.15790	1.6
291.13736	2.0
291.17468	1.5
293.11868	0.9
293.15424	1.4
295.13278	1.6
297.14844	2.1
299.14319	1.3
301.11115	0.6
301.15097	0.7
303.13779	1.0
303.17358	1.0
305.15283	1.7
307.13190	1.8
307.16916	1.6
309.15048	1.1
309.18390	0.9
311.12811	0.8
313.14429	1.6
315.16486	0.6
317.15369	1.4
318.15829	0.6
319.12061	2.0
319.16965	1.9
321.14740	1.5
321.18549	1.3
323.12830	0.6
323.16440	1.2
324.13382	0.5
329.15302	0.6
331.16711	1.0
333.18149	0.7
335.16238	1.5
337.14243	0.8
337.17911	1.4
339.16028	0.9
341.13867	2.9
343.16882	0.8
347.16370	1.2
347.20044	0.7
349.17758	1.6
353.17569	0.7
359.15448	2.3
361.18011	1.3
363.15744	0.7
363.19562	1.4
365.17480	1.7
366.18033	0.9
367.19205	0.8
371.18823	0.6
373.17834	1.4
375.15652	0.7
375.19736	0.7
377.17227	2.6
377.21182	0.9
379.19046	1.5
381.20819	2.4
383.18527	1.4
385.18073	0.7
387.19708	0.6
389.17303	0.8
391.19107	3.6
392.19815	2.0
393.16409	1.0
393.20660	1.8
395.22406	1.3
403.18951	1.0
405.20715	1.5
407.18225	0.9
409.20209	1.7
410.20636	0.7
411.17416	2.4
413.19760	3.3
417.21301	0.6
419.22092	0.9
421.19858	2.9
423.21710	1.7
425.19205	1.0
429.19281	1.1
431.18494	0.9
433.20139	2.0
434.20871	0.9
435.22437	2.7
437.23486	1.3
439.20981	4.1
441.19040	3.3
445.20050	1.2
447.21597	2.6
449.19611	2.2
451.21152	3.8
452.21909	2.1
453.18124	2.6
453.22696	7.4
454.23535	0.5
457.22086	3.8
459.20090	6.5
463.21005	4.2
465.22760	6.2
467.20593	5.5
468.20947	0.7
469.22070	1.9
471.20139	4.3
471.27274	2.6
473.19485	0.6
481.22144	7.0
482.22449	0.5
483.23605	6.6
484.24124	0.6
485.21518	2.8
486.21936	0.9
487.23163	2.1
489.21124	7.8
491.20657	5.6
492.21588	0.6
499.23276	11.9
500.23654	1.2
501.24643	1.8
509.21640	16.2
510.21988	1.7
517.24371	5.6
518.24585	0.7
527.22723	68.3
528.23120	6.9
535.25409	1.6
545.23785	100.0
546.24103	10.3
563.24786	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76925	1.5
53.03939	2.2
54.58128	1.6
55.05515	4.0
67.05502	11.4
69.03431	2.0
69.07068	6.8
69.11329	2.3
69.11726	13.1
79.05476	10.7
81.07057	21.3
83.08604	3.2
91.05482	10.5
93.07038	30.5
95.04981	4.2
95.08604	10.1
97.06542	3.0
98.23444	1.6
103.05538	1.6
105.07030	9.5
107.04978	5.1
107.08604	20.9
109.06532	1.5
109.10144	3.4
117.07017	4.7
119.08562	7.2
121.06506	38.5
121.10111	9.9
129.07016	2.9
129.29749	1.4
131.08565	6.2
133.10117	5.0
135.08041	3.2
135.11729	2.8
137.06009	1.5
143.08647	2.4
144.09396	3.2
145.10080	2.7
147.11673	3.8
149.13258	39.8
153.09108	1.7
157.10190	2.2
159.11697	16.2
177.12744	100.0
178.13097	4.2
184.04970	1.7
189.09181	1.9
197.05942	1.9
203.17969	2.9
213.05426	3.5
221.11650	2.4
225.05544	2.2
226.06270	2.2
227.07036	4.4
228.07826	2.0
235.13290	2.7
237.05682	1.5
239.06999	2.9
241.08560	2.5
242.05737	4.1
253.08553	1.9
255.06593	2.7
256.74387	1.7
257.08133	9.3
267.06598	3.1
281.08035	1.6
281.11679	3.3
284.06482	2.1
285.07642	4.6
286.08292	3.4
296.14078	4.6
299.09274	2.9
311.12585	2.2
312.13486	2.0
329.10229	5.6
330.10883	2.8
340.13034	3.4
341.13638	2.1
355.15347	18.4
386.17303	21.5
387.17938	22.3
388.18335	2.4
501.26181	4.3
563.29895	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.8
57.07077	2.2
65.03953	1.5
66.57732	1.2
66.71243	1.3
67.05503	8.6
69.03563	13.1
69.07059	5.7
73.32578	1.1
79.05496	4.8
81.07056	13.8
81.46710	1.1
82.70708	1.1
83.08622	1.9
91.05479	7.9
93.07056	11.1
95.08611	13.3
98.23481	2.8
100.25044	1.4
105.07033	27.7
107.08602	9.5
107.96752	1.3
109.10158	11.7
117.07037	1.8
119.08587	19.5
121.06580	1.5
121.10130	8.6
123.11714	5.3
129.07057	1.8
131.08611	2.1
133.10141	14.1
135.11690	4.1
139.80858	1.3
141.06989	1.8
145.06473	1.8
145.10098	3.9
147.11684	18.2
149.13240	7.3
153.05525	2.0
159.08125	1.5
159.11707	2.1
161.09608	1.4
161.13258	18.3
167.07034	6.7
169.06480	2.2
174.17166	1.3
175.11200	1.5
175.14867	2.5
187.07539	2.3
188.55336	1.6
189.09233	1.6
189.16415	5.5
193.08453	1.6
197.05927	6.4
203.17952	61.0
204.18651	10.1
205.08636	1.7
205.19547	8.5
209.09630	1.4
211.07495	3.1
213.05389	2.8
214.06177	3.1
215.07138	1.8
221.09644	2.2
221.11674	3.1
225.05469	3.4
225.09111	2.1
225.12712	1.3
227.07214	2.1
229.04950	25.0
229.08481	1.7
230.05621	2.4
235.13231	4.0
237.05519	1.6
238.09969	1.5
239.07031	2.5
239.10652	2.6
241.04976	2.1
242.05746	3.4
243.06520	10.7
244.07201	1.7
249.09067	4.0
251.07126	1.9
252.07869	1.8
253.05025	1.8
253.12267	1.9
256.07260	1.9
257.04385	2.0
257.08084	3.8
259.06000	1.8
263.10779	2.1
265.08505	1.5
266.09528	1.7
267.06433	2.3
267.10190	1.4
269.07993	1.5
271.05905	7.8
272.06821	2.0
281.08353	1.7
281.11743	8.5
283.05942	2.0
283.09464	1.7
285.07578	5.5
288.06372	1.9
289.07080	2.8
295.09662	4.3
299.12759	4.3
303.08633	3.4
309.11343	4.1
311.09229	2.1
312.10013	1.8
317.10120	1.6
327.12268	100.0
328.12503	6.3
331.15527	2.1
341.13831	6.5
359.14877	10.5
395.18329	2.3
411.17743	3.7
527.31738	3.0
545.32599	4.9
563.34192	30.4
564.34460	3.4
567.39618	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00179	0.8
53.03954	1.3
53.28849	0.8
53.42154	0.7
55.05508	8.7
57.07068	1.2
62.37016	0.8
65.03944	0.8
67.05503	7.8
69.07064	5.6
69.49477	2.0
69.49891	3.3
77.03916	1.0
77.63304	0.9
78.04697	1.8
79.05503	8.2
81.07059	9.8
83.08637	2.5
91.05482	11.1
93.07045	11.0
95.04993	2.9
95.08601	8.9
97.10178	9.3
101.37125	1.0
103.05498	2.9
105.07037	19.6
106.04205	1.8
107.04961	3.4
107.08598	9.0
109.06532	1.7
109.10155	5.7
115.05508	2.4
117.07038	3.1
119.08583	17.2
121.06518	2.6
121.10143	35.5
121.11019	1.8
122.10470	1.0
123.04442	4.2
123.08089	3.1
123.11713	3.3
124.05232	2.2
125.06016	1.2
125.09741	1.0
128.06197	1.1
129.06996	2.7
130.07829	1.4
131.04916	7.0
131.08585	3.5
133.06505	3.0
133.07571	1.6
133.10141	13.0
134.03668	1.3
135.08054	3.7
135.11736	1.2
137.05986	13.0
139.07571	2.1
143.08589	3.3
145.06503	10.0
145.10121	7.0
147.08052	3.5
147.11723	3.4
148.05162	1.7
149.05963	2.9
149.13278	3.2
150.06795	3.9
151.07552	15.2
152.04720	4.3
153.05496	5.7
155.07080	1.2
158.07286	1.5
159.08099	1.7
159.11714	1.1
161.05942	1.3
161.09622	1.1
161.13341	1.5
163.07538	17.9
163.11224	1.2
163.14772	1.8
164.07965	0.9
165.05493	6.3
165.09119	21.5
167.07043	100.0
168.07433	2.6
171.08084	2.7
172.08777	1.2
173.09608	4.6
174.06779	1.0
175.07561	3.4
175.11176	3.6
176.08319	2.0
177.09111	14.3
177.12677	4.2
179.10683	8.4
181.08650	3.0
183.08119	1.2
185.09584	1.2
189.09145	4.3
189.12704	1.4
190.09953	2.2
191.10617	1.8
199.11293	1.2
201.09216	1.6
201.12862	2.4
203.10681	8.9
203.17957	11.5
205.12239	22.2
205.14113	1.4
206.12669	1.1
207.13789	2.6
213.09039	1.4
215.10773	1.3
219.13776	1.6
221.11720	5.3
223.13301	1.3
233.15443	2.6
235.13316	16.2
236.13680	0.9
237.14859	23.1
239.14214	1.2
245.15356	3.5
247.16942	1.3
257.15454	1.7
259.16968	6.2
267.14252	1.1
271.16949	5.1
327.15881	1.6
327.23245	2.3
339.23203	1.5
359.18506	2.9
361.20212	7.5
373.20062	3.7
387.21677	22.6
388.21918	1.5
401.23236	53.5
402.23593	5.4
425.22998	1.4
439.24802	1.6
451.09531	1.0
453.26355	3.9
467.27917	2.4
481.29474	20.7
482.29828	1.9
493.29596	10.5
494.29410	1.0
507.31216	1.0
545.41949	1.4
563.37994	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.5
57.03425	0.8
57.07065	2.0
60.07745	0.7
67.05518	4.2
67.11275	0.8
69.07072	1.2
70.18759	2.7
71.08636	1.0
79.05489	1.6
81.07043	4.6
83.08611	1.7
91.05472	3.3
93.07054	2.6
94.04235	1.0
95.08601	3.6
105.07040	5.0
107.08579	2.3
109.10130	1.1
119.08592	3.2
121.10168	3.6
123.11624	1.0
132.40025	1.0
133.10112	4.8
134.10834	1.0
135.11703	1.3
137.05994	2.9
139.33321	1.0
147.11702	2.7
161.13286	3.4
189.16292	1.2
203.17955	19.5
204.18617	2.8
240.54280	0.8
251.12546	7.3
305.52252	0.8
307.15073	7.3
307.94864	0.8
359.18582	0.9
563.39178	100.0
564.39532	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.6
55.01878	7.0
55.05515	35.3
57.03439	13.1
57.07059	3.5
59.04990	2.0
65.03939	4.3
65.77061	1.1
67.05506	94.2
69.03419	3.7
69.07066	21.8
69.30125	1.0
71.04987	6.9
79.05494	65.5
80.05840	2.0
81.03416	42.4
81.07056	100.0
82.07412	2.0
83.04983	18.2
83.08617	27.4
85.02905	12.6
85.06548	4.3
86.48193	1.3
91.05479	52.0
92.05817	1.3
93.07041	60.1
95.04971	26.2
95.08607	72.3
96.08945	2.1
97.02915	2.1
97.06522	12.1
97.10173	11.7
99.04412	1.7
99.08086	2.9
103.05481	2.2
105.04513	2.7
105.07029	50.7
107.04942	5.3
107.08593	41.4
109.06554	6.4
109.10156	34.4
111.04433	8.8
111.08084	10.9
111.11755	1.0
111.17010	1.1
113.06010	2.5
113.29199	1.2
115.05468	1.5
117.07009	12.9
119.06137	1.3
119.08585	36.9
121.06467	4.1
121.10144	28.5
123.01299	1.1
123.08102	5.6
123.11700	15.4
125.09636	9.5
127.07573	1.4
128.06230	2.6
129.06245	1.4
129.07010	13.9
131.08574	32.0
132.08928	1.4
133.06476	4.1
133.10130	29.6
135.08095	3.7
135.11691	21.8
136.12103	1.6
137.06006	1.6
137.09624	3.2
137.13245	5.4
139.11099	2.0
141.06964	2.2
142.07773	4.1
143.08551	9.0
145.10130	21.4
146.15115	1.1
147.08046	4.2
147.11690	25.3
148.11926	1.3
149.09634	6.9
149.13251	12.3
150.13577	1.4
151.07568	1.6
151.11212	4.1
151.14815	1.1
153.09077	1.3
153.12759	3.1
155.08543	6.1
157.10124	12.8
158.10544	1.6
159.11673	15.2
160.12009	1.4
161.09639	2.4
161.13274	7.7
162.51634	1.3
163.11162	5.2
163.14832	3.5
165.12752	4.4
167.08580	2.8
169.10139	4.9
171.11716	8.1
173.09634	3.0
173.11855	2.1
173.13239	10.1
175.11189	12.0
175.14835	3.8
177.12730	2.5
179.10577	1.1
181.10138	2.5
181.12242	4.1
183.11716	3.3
185.13206	5.6
187.13345	1.7
187.14767	5.7
189.11191	6.9
189.16376	2.8
191.10635	2.8
193.10378	1.7
193.12230	35.5
195.11696	2.6
195.13785	1.9
197.13264	3.2
199.14851	3.8
201.16379	3.3
209.13324	2.7
211.13277	51.6
217.15921	2.6
221.15437	2.0
225.16402	1.6
227.12788	8.1
229.14229	2.7
243.15935	1.5
243.21095	3.8
247.16833	1.7
261.22104	19.4
267.15799	7.0
267.20975	1.5
277.21661	1.8
279.23285	5.6
283.15381	2.0
285.16919	22.1
285.22031	3.3
289.21637	1.3
299.23743	1.7
301.21924	1.5
301.25302	3.4
303.23193	6.0
317.24609	5.6
319.63779	1.4
321.67270	1.2
327.23260	1.7
335.25790	22.0
359.25800	2.2
377.27292	1.6
385.56964	1.2
417.31522	2.3
427.93973	1.2
435.32538	5.8
447.31473	1.6
453.33633	7.9
471.34973	7.5
487.34476	1.8
489.35693	2.2
509.36011	1.5
527.37335	14.9
528.37683	1.7
545.38409	45.7
546.38531	5.3
563.26019	1.5
563.39575	14.9
573.90210	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.6
55.01878	7.0
55.05515	35.3
57.03439	13.1
57.07059	3.5
59.04990	2.0
65.03939	4.3
65.77061	1.1
67.05506	94.2
69.03419	3.7
69.07066	21.8
69.30125	1.0
71.04987	6.9
79.05494	65.5
80.05840	2.0
81.03416	42.4
81.07056	100.0
82.07412	2.0
83.04983	18.2
83.08617	27.4
85.02905	12.6
85.06548	4.3
86.48193	1.3
91.05479	52.0
92.05817	1.3
93.07041	60.1
95.04971	26.2
95.08607	72.3
96.08945	2.1
97.02915	2.1
97.06522	12.1
97.10173	11.7
99.04412	1.7
99.08086	2.9
103.05481	2.2
105.04513	2.7
105.07029	50.7
107.04942	5.3
107.08593	41.4
109.06554	6.4
109.10156	34.4
111.04433	8.8
111.08084	10.9
111.11755	1.0
111.17010	1.1
113.06010	2.5
113.29199	1.2
115.05468	1.5
117.07009	12.9
119.06137	1.3
119.08585	36.9
121.06467	4.1
121.10144	28.5
123.01299	1.1
123.08102	5.6
123.11700	15.4
125.09636	9.5
127.07573	1.4
128.06230	2.6
129.06245	1.4
129.07010	13.9
131.08574	32.0
132.08928	1.4
133.06476	4.1
133.10130	29.6
135.08095	3.7
135.11691	21.8
136.12103	1.6
137.06006	1.6
137.09624	3.2
137.13245	5.4
139.11099	2.0
141.06964	2.2
142.07773	4.1
143.08551	9.0
145.10130	21.4
146.15115	1.1
147.08046	4.2
147.11690	25.3
148.11926	1.3
149.09634	6.9
149.13251	12.3
150.13577	1.4
151.07568	1.6
151.11212	4.1
151.14815	1.1
153.09077	1.3
153.12759	3.1
155.08543	6.1
157.10124	12.8
158.10544	1.6
159.11673	15.2
160.12009	1.4
161.09639	2.4
161.13274	7.7
162.51634	1.3
163.11162	5.2
163.14832	3.5
165.12752	4.4
167.08580	2.8
169.10139	4.9
171.11716	8.1
173.09634	3.0
173.11855	2.1
173.13239	10.1
175.11189	12.0
175.14835	3.8
177.12730	2.5
179.10577	1.1
181.10138	2.5
181.12242	4.1
183.11716	3.3
185.13206	5.6
187.13345	1.7
187.14767	5.7
189.11191	6.9
189.16376	2.8
191.10635	2.8
193.10378	1.7
193.12230	35.5
195.11696	2.6
195.13785	1.9
197.13264	3.2
199.14851	3.8
201.16379	3.3
209.13324	2.7
211.13277	51.6
217.15921	2.6
221.15437	2.0
225.16402	1.6
227.12788	8.1
229.14229	2.7
243.15935	1.5
243.21095	3.8
247.16833	1.7
261.22104	19.4
267.15799	7.0
267.20975	1.5
277.21661	1.8
279.23285	5.6
283.15381	2.0
285.16919	22.1
285.22031	3.3
289.21637	1.3
299.23743	1.7
301.21924	1.5
301.25302	3.4
303.23193	6.0
317.24609	5.6
319.63779	1.4
321.67270	1.2
327.23260	1.7
335.25790	22.0
359.25800	2.2
377.27292	1.6
385.56964	1.2
417.31522	2.3
427.93973	1.2
435.32538	5.8
447.31473	1.6
453.33633	7.9
471.34973	7.5
487.34476	1.8
489.35693	2.2
509.36011	1.5
527.37335	14.9
528.37683	1.7
545.38409	45.7
546.38531	5.3
563.26019	1.5
563.39575	14.9
573.90210	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57679	0.6
61.52225	0.7
67.05524	0.7
71.32375	1.1
91.05460	1.0
93.07020	1.0
95.08617	0.9
107.08571	0.7
108.97473	0.7
119.08512	0.7
124.93772	1.3
144.74043	0.9
164.90605	0.7
168.18364	0.8
169.42261	0.8
185.28725	0.8
234.10324	0.8
237.85524	0.7
247.07498	1.0
248.08186	1.0
249.09062	2.0
250.09924	1.4
261.09116	1.0
262.09778	3.9
263.07025	1.2
263.10568	1.6
265.12286	1.2
266.75089	0.8
274.09863	0.8
275.07019	0.9
275.10226	0.9
277.08530	2.1
277.12158	2.5
278.09384	2.7
289.08508	1.7
290.06219	0.7
290.09457	2.1
291.06647	0.8
291.10086	2.7
292.10910	2.2
293.08475	1.3
293.11581	5.7
303.10413	1.1
305.08008	2.6
305.11703	4.9
307.09790	1.5
307.13193	3.4
308.10672	1.5
308.13953	4.1
309.10938	0.8
319.09604	1.8
320.10394	11.5
321.11066	6.8
323.12802	4.0
335.12750	100.0
336.09644	1.5
336.13281	9.5
351.12250	13.9
365.13721	3.9
366.14600	84.6
367.15176	8.6
397.16434	54.0
398.16763	3.0
461.20325	1.2
501.18939	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.01871	2.7
55.05515	13.8
55.35821	1.2
67.05505	6.4
69.03413	3.6
69.07059	1.9
70.32349	1.0
70.32697	3.3
71.04978	1.4
79.05494	6.1
81.03413	2.8
81.07057	10.0
83.04980	56.2
85.02908	1.4
91.05473	15.5
93.07040	4.3
95.04959	3.7
95.08595	4.4
96.77375	1.1
97.02892	7.3
97.06506	2.3
97.10165	1.0
99.04453	1.8
103.05443	1.5
105.07035	6.0
107.04906	1.3
107.08585	13.1
109.06532	7.9
109.10176	2.2
111.04433	6.6
111.05098	1.0
111.08097	2.5
115.05441	5.3
117.07025	15.7
119.08591	13.3
121.06528	8.5
121.10203	1.4
123.08057	3.4
125.09622	3.1
128.06267	1.1
129.07018	2.8
131.08562	3.9
133.06552	1.2
133.10083	2.5
135.08043	14.8
137.05981	6.0
137.09547	1.1
141.07047	1.1
143.08551	4.2
145.06479	41.8
145.10121	4.4
147.08040	19.4
147.11734	2.0
149.05945	1.1
151.07542	1.2
152.83815	1.1
155.08553	2.9
157.10144	3.9
159.08076	3.3
159.11723	2.8
161.09621	3.1
163.07542	17.1
164.07907	1.2
165.09152	1.2
167.08531	1.9
169.10114	4.3
171.07996	1.9
171.11708	2.4
173.05965	5.5
173.09633	4.5
173.13280	1.4
175.07564	1.3
175.11165	2.0
177.09212	1.2
178.08604	1.4
181.10104	2.1
183.08072	1.1
183.11578	1.5
184.07318	1.6
185.09596	2.5
187.07549	1.5
187.11156	3.2
189.09061	1.5
191.06975	5.2
193.12192	1.9
195.11699	1.7
197.09669	1.4
197.13269	2.0
199.11139	2.7
199.14728	1.5
201.09052	1.0
201.12689	1.5
201.99319	1.0
207.11714	1.0
209.08002	2.6
209.09724	1.8
211.11285	1.9
211.13258	2.8
211.14912	2.0
213.12778	1.1
213.16467	1.2
215.10556	1.6
215.14290	4.3
223.11128	2.3
224.11755	1.1
225.12653	4.8
229.12262	1.1
229.15915	4.0
230.16618	1.3
237.12723	1.9
239.14241	2.7
241.15570	1.3
243.13745	4.8
255.13713	2.1
257.15356	3.3
259.16867	2.7
267.13757	1.6
283.16943	1.2
285.14673	11.5
291.15997	1.3
301.14319	3.0
303.15918	7.8
305.17532	2.7
341.21054	21.4
342.21582	1.3
367.19095	2.2
385.20081	33.9
386.20459	2.8
403.21130	100.0
404.21606	7.3
413.19568	2.5
425.23138	7.9
435.21515	4.5
453.22375	1.3
465.22626	2.8
467.24124	8.3
493.22116	6.5
501.24747	1.1
511.22653	6.1
529.24219	4.6
564.27948	9.2
565.41534	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32655	0.9
53.03944	2.0
55.05508	5.9
58.25929	1.1
62.54813	1.1
66.09612	0.9
67.05506	5.2
69.03437	4.3
69.07071	3.6
70.60825	1.0
71.04997	1.5
79.05495	6.8
81.03429	2.5
81.07060	17.2
82.07391	2.1
83.04986	21.9
83.08636	1.1
85.02896	1.6
91.05479	17.2
93.07040	7.5
95.04977	5.1
95.08604	5.1
96.52103	1.1
96.88293	1.1
97.02893	5.4
97.06538	3.4
98.23356	2.5
99.04455	2.7
105.07040	8.7
107.04955	1.9
107.08615	11.0
109.06518	8.8
109.10152	3.1
109.93574	1.1
111.04462	3.6
111.08099	2.3
115.05467	4.7
117.07030	10.4
119.08570	14.1
121.06501	4.9
121.10156	3.1
123.08068	4.8
125.09593	1.1
128.06232	1.4
129.07036	4.5
131.08580	4.7
133.06485	1.7
133.10129	6.6
135.08051	8.7
137.05986	17.7
137.09554	1.2
138.06348	2.4
139.07564	1.4
141.07013	2.6
142.07858	2.8
143.08554	7.2
144.09254	1.2
145.06485	22.4
145.10110	6.4
147.08051	15.1
147.11691	2.6
149.09673	2.5
155.08572	3.2
156.09354	2.2
157.10121	7.9
159.08061	3.0
159.11705	4.0
161.09665	4.3
163.07536	10.6
167.08470	1.2
169.10118	7.3
171.08058	3.2
171.11717	4.4
173.06049	3.1
173.09644	4.3
173.13269	2.6
175.07602	2.0
175.11232	4.3
177.08984	1.3
179.08586	1.5
181.10062	1.7
183.11758	2.0
185.09702	2.4
185.13300	2.2
187.11215	3.9
189.09126	2.3
189.12775	2.5
191.07074	3.6
193.10237	1.7
195.11754	2.4
197.09605	2.4
197.13258	2.7
199.11191	2.6
201.09036	1.6
201.12767	1.8
203.10538	1.5
207.10077	1.6
207.11765	1.6
209.08102	1.7
209.13338	2.7
211.11302	1.3
211.13197	1.3
211.15001	1.4
213.12958	1.2
213.16396	1.3
215.10753	1.4
215.14337	2.5
219.11923	1.5
223.11169	1.2
223.14894	2.3
227.10861	1.4
227.14258	2.4
229.14264	1.5
235.09462	1.2
235.14815	2.5
239.14308	1.7
243.13814	1.8
245.15448	6.3
247.15085	1.3
251.14253	1.5
257.15433	1.8
263.14441	1.2
265.16006	1.2
275.16400	4.9
299.16238	1.5
309.18604	2.1
327.19495	18.1
328.20020	1.7
335.99484	1.2
339.19714	1.5
355.19183	1.4
403.21213	11.6
407.21866	1.5
425.23074	6.2
435.21835	1.4
437.23218	3.3
438.23901	1.2
439.24963	1.3
447.21466	1.5
453.22711	100.0
454.23083	7.1
465.22653	3.0
467.23959	2.2
483.23758	83.8
484.23849	6.1
501.24939	1.8
511.22418	2.2
529.24042	9.7
564.27802	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.6
55.05508	5.8
57.03423	1.9
67.05502	4.9
69.03439	10.0
69.04833	13.9
69.07072	2.1
73.02917	3.6
79.05495	8.3
81.03423	1.9
81.07058	23.3
83.04996	11.7
85.02921	3.1
85.06564	1.7
91.05501	15.5
93.07034	12.3
95.04998	7.5
95.08615	9.5
97.02879	8.5
97.06490	2.7
98.22610	2.9
99.04469	7.0
105.07042	13.4
107.04949	1.8
107.08603	11.2
109.06526	20.6
109.10164	3.7
111.04457	3.5
111.08100	4.1
115.05476	3.5
117.07018	9.4
119.04929	2.6
119.08594	14.9
121.06508	3.8
121.10132	3.6
123.08068	8.6
123.11706	2.4
125.09628	8.4
127.03903	2.2
128.06262	3.8
129.07001	9.8
130.07744	2.5
131.08588	12.1
133.06506	4.6
133.10147	8.8
135.08057	18.2
135.11697	2.6
137.05975	42.3
137.09666	1.9
139.03883	5.4
139.07542	4.3
141.07008	6.6
142.07780	4.8
143.08551	17.1
145.04958	1.7
145.06509	9.5
145.10144	13.0
146.77805	1.6
147.08064	17.2
147.11716	5.4
149.05861	1.7
149.09605	4.2
151.07497	2.8
153.09216	1.6
154.07817	1.8
155.08562	30.2
156.09329	2.9
157.06483	5.4
157.10109	12.3
159.08115	7.7
159.11720	7.1
160.08813	2.1
161.09633	6.2
161.13232	3.7
163.07559	6.2
165.07082	2.1
165.09311	1.6
167.08582	3.6
168.09386	1.9
169.06456	2.1
169.10115	13.0
170.10829	2.4
171.08060	3.1
171.11702	11.1
172.08749	2.2
173.06023	3.4
173.09619	20.6
173.13257	2.7
175.07596	4.4
175.11223	5.3
177.12547	2.0
179.07031	8.6
179.08583	3.8
181.10092	8.9
183.06544	16.4
183.08000	3.3
183.11731	6.9
184.07024	1.7
185.09602	6.5
185.13289	3.0
187.11182	8.2
187.14912	1.8
189.09126	7.0
189.12737	6.8
189.16368	6.2
191.07030	3.1
195.08133	1.9
195.11707	5.8
196.12767	1.5
197.09622	5.9
197.13298	4.7
199.11189	5.7
201.09090	2.3
201.12750	7.5
203.10719	3.6
206.10912	1.6
207.10110	12.3
207.11749	3.2
209.09634	1.8
209.13304	2.8
211.11221	3.6
211.14745	2.6
213.09062	2.4
213.12860	3.1
214.13535	3.5
215.10641	7.6
215.14325	5.1
217.08562	2.0
217.15996	3.2
219.10175	3.1
221.13432	2.5
223.11208	2.7
225.12697	1.9
227.10692	2.4
229.12302	3.4
231.09937	1.8
233.11516	7.7
235.11183	2.3
235.14880	1.9
235.16940	5.7
236.70740	1.6
239.10562	2.1
239.14352	3.7
241.12299	2.6
249.12804	2.5
251.10516	1.9
253.12389	2.7
253.15839	2.0
257.15469	2.2
277.19360	1.5
278.61185	1.9
279.17328	1.8
281.10199	8.8
285.14954	2.7
297.18619	1.9
313.21628	2.3
330.77234	1.8
335.16495	2.9
341.21368	2.4
343.19052	3.1
353.17593	3.3
359.22141	4.0
381.20950	1.8
385.20007	2.6
387.19916	2.0
395.18341	2.2
402.44891	1.9
403.21158	41.6
404.21622	2.0
405.20172	2.9
409.24057	2.2
413.19547	6.5
422.24496	2.1
423.21680	6.6
431.20731	11.1
433.19919	2.4
439.24658	7.2
441.22583	2.7
447.21375	2.0
449.23257	1.8
451.21194	24.8
452.21381	2.0
465.22559	6.7
467.24255	22.8
468.24695	1.8
469.22202	100.0
470.22235	8.0
471.20346	3.7
483.23730	2.4
485.25348	36.4
486.25607	2.4
493.22235	33.3
494.22760	2.0
511.23294	54.5
512.23297	4.3
529.24243	25.4
530.24402	2.0
547.25262	13.7
564.28076	12.4
565.26782	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.6
55.05508	5.8
57.03423	1.9
67.05502	4.9
69.03439	10.0
69.04833	13.9
69.07072	2.1
73.02917	3.6
79.05495	8.3
81.03423	1.9
81.07058	23.3
83.04996	11.7
85.02921	3.1
85.06564	1.7
91.05501	15.5
93.07034	12.3
95.04998	7.5
95.08615	9.5
97.02879	8.5
97.06490	2.7
98.22610	2.9
99.04469	7.0
105.07042	13.4
107.04949	1.8
107.08603	11.2
109.06526	20.6
109.10164	3.7
111.04457	3.5
111.08100	4.1
115.05476	3.5
117.07018	9.4
119.04929	2.6
119.08594	14.9
121.06508	3.8
121.10132	3.6
123.08068	8.6
123.11706	2.4
125.09628	8.4
127.03903	2.2
128.06262	3.8
129.07001	9.8
130.07744	2.5
131.08588	12.1
133.06506	4.6
133.10147	8.8
135.08057	18.2
135.11697	2.6
137.05975	42.3
137.09666	1.9
139.03883	5.4
139.07542	4.3
141.07008	6.6
142.07780	4.8
143.08551	17.1
145.04958	1.7
145.06509	9.5
145.10144	13.0
146.77805	1.6
147.08064	17.2
147.11716	5.4
149.05861	1.7
149.09605	4.2
151.07497	2.8
153.09216	1.6
154.07817	1.8
155.08562	30.2
156.09329	2.9
157.06483	5.4
157.10109	12.3
159.08115	7.7
159.11720	7.1
160.08813	2.1
161.09633	6.2
161.13232	3.7
163.07559	6.2
165.07082	2.1
165.09311	1.6
167.08582	3.6
168.09386	1.9
169.06456	2.1
169.10115	13.0
170.10829	2.4
171.08060	3.1
171.11702	11.1
172.08749	2.2
173.06023	3.4
173.09619	20.6
173.13257	2.7
175.07596	4.4
175.11223	5.3
177.12547	2.0
179.07031	8.6
179.08583	3.8
181.10092	8.9
183.06544	16.4
183.08000	3.3
183.11731	6.9
184.07024	1.7
185.09602	6.5
185.13289	3.0
187.11182	8.2
187.14912	1.8
189.09126	7.0
189.12737	6.8
189.16368	6.2
191.07030	3.1
195.08133	1.9
195.11707	5.8
196.12767	1.5
197.09622	5.9
197.13298	4.7
199.11189	5.7
201.09090	2.3
201.12750	7.5
203.10719	3.6
206.10912	1.6
207.10110	12.3
207.11749	3.2
209.09634	1.8
209.13304	2.8
211.11221	3.6
211.14745	2.6
213.09062	2.4
213.12860	3.1
214.13535	3.5
215.10641	7.6
215.14325	5.1
217.08562	2.0
217.15996	3.2
219.10175	3.1
221.13432	2.5
223.11208	2.7
225.12697	1.9
227.10692	2.4
229.12302	3.4
231.09937	1.8
233.11516	7.7
235.11183	2.3
235.14880	1.9
235.16940	5.7
236.70740	1.6
239.10562	2.1
239.14352	3.7
241.12299	2.6
249.12804	2.5
251.10516	1.9
253.12389	2.7
253.15839	2.0
257.15469	2.2
277.19360	1.5
278.61185	1.9
279.17328	1.8
281.10199	8.8
285.14954	2.7
297.18619	1.9
313.21628	2.3
330.77234	1.8
335.16495	2.9
341.21368	2.4
343.19052	3.1
353.17593	3.3
359.22141	4.0
381.20950	1.8
385.20007	2.6
387.19916	2.0
395.18341	2.2
402.44891	1.9
403.21158	41.6
404.21622	2.0
405.20172	2.9
409.24057	2.2
413.19547	6.5
422.24496	2.1
423.21680	6.6
431.20731	11.1
433.19919	2.4
439.24658	7.2
441.22583	2.7
447.21375	2.0
449.23257	1.8
451.21194	24.8
452.21381	2.0
465.22559	6.7
467.24255	22.8
468.24695	1.8
469.22202	100.0
470.22235	8.0
471.20346	3.7
483.23730	2.4
485.25348	36.4
486.25607	2.4
493.22235	33.3
494.22760	2.0
511.23294	54.5
512.23297	4.3
529.24243	25.4
530.24402	2.0
547.25262	13.7
564.28076	12.4
565.26782	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.2
55.01866	3.3
55.05509	5.4
55.26760	2.0
56.55585	1.6
57.03429	2.3
57.07063	1.6
67.05500	8.5
69.03426	10.4
69.07064	4.8
70.04807	4.3
70.05196	3.1
71.04989	5.0
73.02903	2.6
77.21240	1.6
79.05474	10.6
81.07053	27.5
83.04994	4.3
85.02910	7.7
91.05486	12.2
93.07031	9.9
95.04978	7.1
95.08617	11.2
97.02870	10.7
97.06548	4.0
99.04446	8.8
103.05465	3.1
105.07034	16.3
106.48197	1.7
107.04968	4.5
107.08575	10.7
109.02900	2.3
109.06523	29.1
109.10173	6.0
111.04460	3.2
111.08090	2.4
115.03999	2.5
117.07034	5.3
119.04965	2.0
119.08564	11.9
121.06509	5.5
121.10155	6.0
123.08035	9.5
124.05225	7.5
125.05891	2.0
127.03931	7.3
128.06161	3.1
129.07047	6.3
131.04907	2.4
131.08572	7.5
133.05046	2.1
133.06493	4.0
133.10106	9.5
135.08060	19.9
135.11673	4.6
137.05974	33.7
137.09566	3.2
139.07518	12.4
141.06961	3.6
142.07794	2.3
143.08560	9.0
145.04944	2.2
145.06512	5.4
145.10120	9.3
147.08029	7.0
147.11690	4.0
149.09631	3.1
149.13344	3.7
153.07054	1.9
155.08559	12.1
157.10165	9.2
159.08018	8.6
159.11722	5.8
161.09596	6.8
163.07501	10.1
165.05496	7.6
165.06956	4.3
167.07066	6.9
167.08580	7.4
168.09254	2.2
169.10117	10.1
171.08076	8.9
171.11703	5.0
173.09576	11.6
173.13312	2.4
175.11241	8.3
177.09065	2.6
179.07111	2.1
179.08548	6.2
180.09396	2.1
181.05075	2.8
181.08601	6.4
181.10170	9.2
182.10814	2.0
183.08075	6.4
183.11719	5.5
184.07294	1.9
185.09662	7.0
187.11226	6.0
189.09117	3.2
189.16330	2.8
192.09378	4.9
193.10150	8.1
194.10999	2.9
195.08165	3.5
195.10187	28.6
195.11746	7.2
197.09624	7.0
197.13211	4.1
199.11243	5.9
201.09068	2.5
203.08670	1.9
203.10715	2.2
205.10143	5.4
206.10899	2.8
207.08081	2.3
207.09933	2.6
207.11687	7.6
209.08029	4.3
209.09694	5.6
209.13295	5.5
210.10327	2.7
211.11212	7.4
211.14734	3.8
213.09053	2.5
213.12738	2.5
215.10646	2.9
216.09296	2.3
217.10156	3.4
217.12328	2.3
218.10907	3.0
219.08145	2.5
219.11780	4.4
220.12483	3.9
221.09706	4.3
221.13293	10.6
222.10434	2.5
223.11221	8.9
223.14876	2.9
225.12756	7.6
225.16255	2.5
229.10283	2.5
231.11751	6.0
233.09612	3.9
233.13293	7.5
234.13849	2.3
235.11151	6.1
235.14838	3.3
235.16943	5.3
237.12813	8.4
238.13396	2.2
239.14301	5.5
241.12210	2.7
243.11696	2.5
244.12297	2.7
245.13306	4.2
247.11290	3.3
247.14879	3.6
249.09064	2.0
249.12729	15.1
249.16490	3.8
251.14369	9.9
251.17882	3.8
253.12274	2.3
253.15831	3.2
261.12750	7.8
261.16373	7.3
263.14304	7.0
263.17972	3.7
265.12415	2.3
265.15781	3.3
267.13852	4.8
267.17538	5.0
273.07510	3.0
275.14297	4.1
277.15808	5.1
278.16571	3.8
279.13879	6.4
279.17450	9.5
281.15457	3.0
281.18884	3.2
287.05557	2.8
289.15918	3.3
291.13934	4.3
291.17413	7.0
293.15619	3.0
293.18973	1.9
295.16925	3.8
297.18539	6.5
303.12195	12.2
303.17520	3.4
305.19089	2.3
307.16974	3.3
309.15048	4.1
309.18570	10.5
319.16989	2.8
321.18527	2.8
325.14505	2.3
325.18134	2.7
327.20071	2.0
337.17960	5.8
349.18127	2.0
353.18054	1.8
355.15393	3.6
355.19214	3.2
357.16953	3.1
367.19138	5.2
371.18539	4.0
373.20203	5.3
385.15927	4.4
385.20477	8.4
393.20581	2.7
395.22311	4.8
399.19101	2.6
403.21149	2.7
405.20590	10.3
407.22235	6.4
413.19714	5.6
417.20770	12.0
419.21976	3.3
421.23459	2.6
422.24225	3.3
423.21634	100.0
424.22015	6.7
425.23138	2.8
431.22229	3.9
433.19974	2.8
435.21686	61.2
436.22076	5.2
437.23071	6.9
447.21722	6.8
449.23093	13.3
450.23450	2.6
451.21033	2.1
453.22772	30.7
454.22852	4.4
463.21097	5.3
465.22705	20.2
467.24768	3.8
469.15640	2.3
469.22141	32.8
471.27347	7.7
475.20999	6.4
481.22052	5.7
482.22437	2.6
483.23813	19.9
488.23257	3.5
493.22333	12.4
499.23260	24.0
500.23096	4.2
511.23325	28.5
512.23608	2.5
529.24213	5.4
564.27740	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75504	5.6
53.03935	8.1
55.01884	8.9
55.05514	10.5
56.06455	6.0
56.15991	5.5
57.03431	34.8
61.02935	7.5
67.05504	23.9
69.03432	44.6
69.07072	8.1
69.19090	42.3
71.01357	5.9
73.00462	5.5
73.02916	49.4
79.05498	21.5
81.07057	100.0
83.04975	16.1
83.08623	5.6
85.02897	56.1
87.04451	6.8
87.94632	4.9
91.03967	5.6
91.05476	33.3
93.07056	27.3
95.04979	12.9
95.08595	46.9
97.02884	57.8
97.06546	19.7
97.10154	9.1
99.04443	8.1
105.07015	40.4
107.04939	6.5
107.08597	41.2
109.02804	7.5
109.06525	20.7
109.10168	14.6
111.04478	9.6
115.03931	31.9
117.07066	10.7
119.08572	50.0
121.06564	9.9
121.10172	15.7
123.08110	13.4
123.11729	25.5
125.09656	9.4
127.03940	15.8
129.06963	13.4
131.08595	16.2
133.04958	27.9
133.06523	6.6
133.10132	41.9
135.08080	19.7
135.11716	27.2
137.05974	41.5
137.30817	6.7
139.03958	6.3
143.08574	22.7
145.04956	23.3
145.10159	17.9
147.08075	14.7
147.11731	14.6
155.08588	21.2
157.10159	16.0
159.08073	12.9
159.11678	17.3
161.09645	17.8
161.13264	39.7
163.07570	11.8
167.07217	6.9
169.10138	16.3
171.11743	10.4
172.08908	6.4
173.09656	20.3
175.07625	10.7
175.11130	8.9
177.08963	8.1
179.07056	7.4
181.05013	8.4
181.10057	10.0
183.06529	8.5
183.11626	8.5
185.09528	6.5
187.11230	16.8
189.09090	8.6
189.12836	9.9
189.16393	82.2
201.12796	6.0
203.10712	8.2
213.12819	8.4
215.10539	11.6
217.15913	25.6
225.12738	6.2
233.11765	9.8
235.16933	68.7
238.05075	5.9
253.18263	5.9
297.18658	6.8
349.20084	6.9
403.21310	28.2
404.21619	10.5
413.19550	8.5
431.20795	7.5
451.21115	22.6
453.22992	9.4
467.24304	16.3
469.22192	77.6
470.22095	10.5
485.25290	23.0
493.22232	35.8
511.23035	44.9
512.23633	9.9
529.24310	22.0
547.25360	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.1
55.01863	11.5
55.05510	6.1
57.03424	14.6
61.02919	9.9
64.90841	3.5
67.05499	16.2
69.03430	33.2
69.94292	13.5
71.01363	6.3
71.04967	7.6
73.02923	25.7
76.50462	3.6
79.05494	20.3
81.03429	4.5
81.07053	100.0
83.05001	6.8
85.02910	56.1
91.03963	4.7
91.05485	12.2
93.07058	17.5
95.04980	6.5
95.08610	34.3
97.02907	37.5
97.06547	17.5
105.07017	30.1
107.08615	22.8
109.06526	17.8
109.10152	13.6
110.98380	4.2
111.08147	4.3
115.03920	20.4
119.08566	38.0
121.06513	3.9
121.10139	11.3
123.08087	4.7
123.11719	9.4
127.03931	16.7
131.08517	10.0
133.04950	20.0
133.06435	4.0
133.10143	24.5
135.08028	6.1
135.11702	8.2
137.05968	46.9
139.07545	3.6
142.07805	4.1
143.08560	9.1
145.04970	13.5
147.08008	9.2
147.11696	14.5
149.09621	5.8
155.08562	7.0
157.10205	7.6
159.08061	6.8
159.11734	10.4
159.49222	3.8
161.09604	6.5
161.13263	40.6
163.04027	3.6
163.06058	4.3
169.10162	4.9
171.11691	4.6
173.13266	4.5
179.08553	5.8
183.08006	3.7
184.07338	12.0
185.09604	6.3
189.16383	87.5
193.10170	5.5
195.11765	7.3
197.09560	4.8
209.09673	4.5
217.15881	28.0
221.02620	3.5
225.09090	5.1
227.10782	4.7
235.16890	35.6
237.12733	5.4
239.79918	4.5
257.39133	4.1
331.19122	6.1
453.18854	7.5
465.19128	6.6
471.19629	5.7
489.21262	10.5
493.25424	9.9
501.20938	6.1
520.29510	4.8
564.22253	6.2
565.28540	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.9
53.82253	2.5
54.41868	2.5
54.79361	2.8
55.01869	5.0
55.05507	17.5
65.03932	7.4
66.92712	3.1
67.05505	35.7
69.03434	10.0
69.07072	9.1
69.37215	23.8
71.04993	3.7
72.29958	3.4
79.05480	28.7
81.03425	5.0
81.07062	30.5
83.04985	58.8
85.06557	4.4
91.05487	48.3
93.07047	60.0
95.04984	18.9
95.08607	67.0
95.09164	5.3
97.02883	5.6
97.06544	13.2
98.23344	5.9
99.04450	4.3
105.07034	57.8
107.04984	6.4
107.08595	38.0
108.08912	3.0
109.06506	20.2
109.10151	15.7
111.04446	19.1
111.08067	25.3
113.06030	4.3
115.05483	5.0
116.06197	3.1
117.07023	22.6
119.08582	100.0
121.06508	21.9
121.10162	23.3
123.04424	6.8
123.08078	25.6
123.11647	4.6
125.06068	6.2
125.09632	4.2
128.06236	11.1
129.07033	10.8
130.07800	4.8
131.08572	36.4
133.06502	5.9
133.10130	37.9
135.08083	20.5
135.11702	8.9
137.05904	15.1
137.09628	5.8
139.07487	20.1
141.06973	8.9
141.09151	7.0
142.07813	14.7
143.08572	31.1
144.09373	4.9
145.06525	12.5
145.10112	48.9
145.11124	4.8
147.08057	15.4
147.11685	29.4
149.05969	7.8
149.09674	9.0
151.07585	6.8
153.07043	3.3
155.07153	3.8
155.08575	13.5
156.09409	10.1
157.10135	38.6
159.08026	16.1
159.11716	41.6
160.12497	16.5
161.05972	4.5
161.09634	18.7
161.13287	12.0
162.06743	3.1
163.07568	6.2
163.11131	7.5
165.07008	6.9
166.07739	3.9
167.08615	8.1
168.09430	6.5
169.10129	15.9
170.10909	5.3
171.08018	8.5
171.11690	31.5
172.08891	6.0
173.09613	20.8
173.13307	13.6
174.10298	3.0
175.07594	6.3
175.11243	13.2
175.14803	5.3
177.09027	5.6
177.12712	4.2
179.08588	5.9
180.09361	4.3
181.08826	3.1
181.10106	15.3
182.10944	5.0
183.08090	3.6
183.11662	21.4
185.09637	17.7
185.13295	23.6
186.10353	6.0
187.07639	5.0
187.11182	20.2
187.14867	7.7
189.09149	8.2
189.12770	16.9
191.10684	4.5
192.09380	5.3
193.10187	10.0
194.10867	5.0
195.11737	16.4
196.12360	4.3
197.09679	10.4
197.13275	14.7
198.10345	3.4
199.11147	18.5
199.14780	6.0
201.09145	4.9
201.12814	9.7
201.16389	3.7
203.08690	2.9
203.10649	6.7
205.10219	5.8
205.12164	3.3
207.11720	9.7
208.12498	4.6
209.09669	7.1
209.13297	9.4
211.11116	8.9
211.14795	8.5
213.09006	4.6
213.12785	11.3
213.16151	14.5
215.10706	4.4
215.14334	5.8
217.12195	6.9
218.11020	4.0
219.13699	3.5
220.12512	3.6
221.11551	4.8
221.13335	8.6
222.13834	3.7
223.11166	7.8
223.14841	12.7
225.12769	12.7
225.16322	4.9
227.14290	6.9
229.08797	3.6
229.11986	3.3
231.11766	6.5
233.13310	5.0
235.14731	3.7
237.12762	3.9
237.16463	5.1
239.14450	4.7
241.15906	17.9
242.16261	4.0
243.13846	6.2
245.13373	4.7
247.14891	3.9
253.15991	4.1
255.13934	3.6
259.16977	35.9
263.14343	6.0
265.12445	3.5
265.15906	6.8
267.13980	3.4
269.12039	3.4
279.17569	7.0
281.18582	3.6
285.18649	4.9
291.17474	4.4
293.18668	3.9
297.18561	3.4
307.17099	3.2
309.18323	3.8
311.20001	6.6
321.18484	8.5
327.19424	4.2
329.21118	4.4
339.19626	18.2
355.19089	7.5
357.20615	55.7
358.21030	6.5
385.20413	3.6
395.25894	10.2
397.20599	3.2
405.24176	7.2
423.25418	15.9
433.23276	4.6
447.25705	3.7
457.24005	5.7
475.24661	10.9
493.25879	25.3
504.90784	3.5
511.27051	12.6
529.28070	5.2
564.31543	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.1
55.01878	5.1
55.05502	13.6
57.03445	6.2
61.02924	3.6
67.05497	25.8
69.03432	10.7
69.07073	14.6
71.05000	4.4
71.14538	3.8
73.02920	4.7
79.05491	31.0
81.03400	6.2
81.07053	38.0
83.04972	29.0
85.02917	12.1
88.50509	3.0
91.05475	29.8
91.63319	2.9
93.07043	41.5
94.02479	2.9
95.04952	17.7
95.08601	27.2
97.02898	8.3
97.06527	62.7
97.10175	3.4
99.04453	3.3
105.03419	3.4
105.07038	46.4
105.07693	5.5
107.04962	5.7
107.08578	24.4
108.32999	2.7
109.02892	6.0
109.06517	23.5
109.10139	20.8
111.04429	16.5
111.08107	8.2
115.03905	4.8
115.05425	3.9
117.07027	12.8
119.08575	39.5
121.06512	13.1
121.10176	15.8
123.08067	12.3
128.06177	8.6
129.07013	13.0
130.07788	3.8
131.08577	24.4
133.06480	8.0
133.10132	28.7
135.08054	15.0
135.11716	8.0
137.06023	9.0
139.07532	7.2
141.07008	8.4
142.07755	12.3
143.08549	29.3
145.04918	3.9
145.06520	8.1
145.10110	27.4
147.08051	11.4
147.11713	13.5
149.09615	6.9
149.13243	3.7
151.07556	5.4
153.05464	3.4
154.07780	5.0
155.08556	16.1
156.09343	6.3
157.10146	29.0
159.08038	10.8
159.11676	22.3
161.09651	12.3
161.13264	11.4
163.03963	7.2
163.11200	5.6
165.05577	3.9
165.06963	7.3
166.07747	4.6
167.08585	8.5
168.09322	5.4
169.10159	19.6
170.10704	3.6
171.08067	10.0
171.11760	19.1
172.69756	3.2
173.05988	3.8
173.09651	12.8
173.13258	11.3
175.07588	8.3
175.11136	6.1
175.14865	6.8
176.85298	3.5
177.09158	5.8
179.07086	3.7
179.08504	7.4
179.10753	5.4
180.09309	4.7
181.10126	15.6
182.10892	4.2
183.08040	5.8
183.11694	23.1
184.07259	3.3
184.08740	3.8
185.09615	11.0
185.13318	9.4
187.11185	7.5
187.14740	3.9
189.16373	9.4
193.08548	5.4
193.10118	9.0
193.12164	4.7
194.11012	5.1
195.08110	5.0
195.11676	9.8
196.12263	4.2
197.09682	9.0
197.13290	13.1
199.07681	3.7
199.11234	12.2
199.14784	7.4
201.12799	7.5
203.10696	3.8
205.10172	5.6
207.10097	8.4
207.11742	8.3
209.09683	4.0
209.13327	11.4
211.07532	3.8
211.11185	11.7
211.14836	6.0
213.09081	7.0
213.12755	9.3
215.10686	4.8
215.14418	4.7
217.15891	8.1
219.11661	7.2
221.13274	9.8
222.13948	3.7
223.11131	6.3
223.14915	5.6
225.12781	6.9
225.16414	5.6
227.14369	5.9
232.12312	4.7
235.11331	4.1
235.14877	5.3
235.16942	27.6
237.12790	7.0
237.16573	5.1
239.10690	3.6
239.14307	7.4
239.18199	3.8
241.12250	4.7
245.13139	3.8
247.14812	4.9
248.08592	3.4
253.12070	3.8
257.15585	3.5
259.09735	10.1
277.15762	4.6
281.15384	4.6
291.13821	3.0
291.17456	4.1
295.16940	5.8
300.68317	3.4
309.14850	3.8
313.14633	3.4
313.17996	5.2
319.16739	4.5
327.15866	4.7
337.14499	5.5
349.23740	6.5
355.15405	18.7
367.24899	5.2
373.16510	5.1
375.99689	3.6
379.22702	8.3
384.47482	3.2
397.24100	4.8
405.24283	5.3
415.22885	3.9
423.25250	7.4
431.25623	3.7
433.23151	4.6
445.23450	3.4
447.25586	4.0
451.24933	5.8
465.26532	4.6
467.28079	5.2
475.24548	10.5
477.26202	5.0
493.26205	20.1
495.27350	4.3
495.52017	3.5
511.27267	17.7
521.30927	4.8
529.27991	7.3
535.21851	3.5
547.21912	3.6
547.29218	6.5
564.22510	19.7
564.31696	13.0
565.23755	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19386	6.3
53.03952	22.5
53.65926	6.7
55.01877	9.1
55.05513	28.0
57.03432	8.7
58.44507	5.7
67.05509	53.9
67.63967	5.5
69.03438	18.4
69.07084	25.2
69.34332	40.4
79.05496	50.3
81.03429	26.4
81.07062	79.8
83.04992	42.0
83.08642	18.4
85.02933	19.2
91.05472	74.0
93.07055	78.7
95.04970	28.1
95.08607	48.1
97.02919	21.6
97.06541	19.6
99.04478	10.7
103.05482	8.8
105.07026	100.0
107.04970	13.7
107.08595	53.5
109.02907	19.2
109.06533	45.2
109.10162	60.2
111.04435	14.2
111.08112	15.5
115.05446	6.1
117.07041	26.5
119.08582	83.8
121.06508	18.5
121.10144	32.8
123.08092	16.2
123.11757	7.8
125.09677	10.9
127.03903	7.2
128.06262	18.7
129.07030	27.7
131.08594	48.5
133.06570	18.4
133.10129	40.5
135.08076	26.0
135.11688	13.5
137.05107	5.5
137.05980	31.8
139.07536	21.1
141.07063	10.1
142.07802	24.4
142.34180	5.8
143.08586	46.6
144.09274	9.5
145.10121	63.5
147.08081	26.8
147.11711	31.8
149.09627	9.1
151.07533	17.7
153.07001	8.5
155.07253	10.5
155.08597	42.5
156.09375	17.3
157.10129	66.8
159.08072	22.1
159.11705	33.1
161.09656	31.3
161.13283	9.3
163.07578	14.3
163.11110	10.8
165.07053	11.4
166.07674	7.4
167.08600	17.9
168.09348	12.5
169.10100	48.8
170.10902	14.9
171.08101	8.2
171.11714	48.6
173.09628	13.6
173.11832	7.5
173.13297	23.9
175.07574	13.8
175.11266	9.3
177.09296	7.3
179.07162	8.0
179.08604	20.5
180.09354	9.2
181.10115	36.9
182.10942	16.8
183.08054	6.0
183.11642	44.2
184.12285	6.5
185.09642	21.7
185.13243	37.2
187.11244	12.3
187.14870	8.8
189.09117	9.8
193.08655	22.4
193.10182	20.9
193.12213	9.6
194.10931	9.7
195.11681	35.4
196.12427	9.5
197.09691	19.3
197.13293	30.0
198.14009	7.1
199.11234	20.9
199.14902	25.1
200.15524	5.8
201.12796	10.6
206.11012	10.7
207.11755	26.6
209.09695	8.2
209.13280	27.9
211.11237	20.4
211.14893	21.4
213.12804	14.4
214.17279	6.5
215.10675	11.5
219.11613	11.2
221.13309	21.9
223.11314	9.1
223.14851	29.8
225.12820	16.6
225.16383	8.6
227.14345	11.5
229.12210	6.6
229.14331	11.1
233.13290	11.2
234.13878	6.3
235.14948	18.7
237.12907	12.1
239.14388	10.9
239.18126	9.6
243.13957	11.0
245.15428	6.7
247.11218	9.0
247.14778	13.9
249.12755	8.3
249.16466	11.1
251.14383	12.9
253.15871	10.1
255.13800	7.1
257.15491	10.2
258.13882	8.0
259.15015	9.6
261.16522	7.8
263.14450	11.9
267.13776	10.9
269.15500	7.5
277.15912	16.3
279.21069	6.5
281.15442	11.9
293.15369	7.0
295.16968	9.9
301.16556	6.6
307.17102	6.1
309.18356	7.8
319.16891	12.7
319.20898	5.7
337.18039	7.8
337.21628	8.5
355.23102	8.9
367.24820	7.7
379.22775	8.4
390.89496	7.0
415.22372	7.2
423.25165	16.4
433.23474	7.5
449.26837	10.3
457.23514	7.3
467.28122	7.0
475.24588	22.7
493.25909	34.1
511.27090	46.9
512.27802	6.7
529.27936	10.3
547.29034	9.9
564.31567	17.1
565.23761	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50386	2.7
51.59473	2.6
53.10155	2.8
55.05505	8.3
67.05508	18.2
69.03444	5.6
69.07074	7.7
71.05028	3.4
73.05278	2.8
79.05495	13.6
81.07056	20.3
83.04993	25.0
85.06538	4.4
91.05503	20.2
93.07050	23.5
95.04967	10.4
95.08615	32.9
97.06511	4.2
105.07027	26.5
107.04906	3.4
107.08599	21.6
109.02962	3.1
109.06520	13.7
109.10159	14.9
111.04419	15.9
111.08083	11.3
115.05453	4.6
115.47369	3.1
116.06181	2.9
117.07010	8.5
119.08609	23.0
121.06523	12.1
123.08080	42.5
125.09680	4.1
128.06219	6.6
129.07008	6.8
131.08575	15.9
133.06480	4.2
133.10136	16.4
135.08076	9.4
135.11678	3.3
137.05992	9.8
139.07558	18.1
142.07727	5.7
143.08569	23.9
144.09312	4.2
145.06487	3.7
145.10103	25.3
147.08055	8.4
147.11719	10.8
149.09641	10.1
151.07524	4.9
155.08534	17.6
156.09328	5.3
157.10109	27.7
159.08083	10.7
159.11665	18.7
161.09608	17.3
161.13280	4.3
165.06993	6.4
167.07094	5.4
167.08452	6.4
169.10118	29.8
170.11014	3.5
171.08005	7.1
171.11710	14.3
173.09621	18.9
173.13338	3.5
175.07510	4.0
175.11214	8.9
179.08641	9.9
180.09381	4.0
181.10120	14.9
182.10851	8.6
183.11711	19.7
184.12500	4.6
185.09608	14.7
185.13263	10.4
187.11150	18.4
191.08653	4.2
193.08578	7.6
193.10118	10.1
194.10953	6.0
195.11736	18.4
197.09583	7.2
197.13206	15.9
199.11198	10.7
201.12714	3.5
205.10121	4.5
205.12172	6.1
206.10960	6.5
207.11719	15.4
209.09787	6.0
209.13295	18.2
211.11263	10.1
211.14807	10.5
213.09209	6.7
213.12798	4.3
215.10696	3.7
218.10857	5.4
219.11664	6.6
220.12289	4.6
221.13237	13.0
223.11247	12.3
223.14877	7.4
225.12810	8.0
227.14330	6.8
229.10193	3.9
231.11761	4.5
233.13280	15.2
234.13768	4.4
235.14879	10.2
237.12740	8.6
237.16367	7.8
239.14316	8.8
241.12228	4.4
243.13968	4.5
244.12447	4.7
245.13260	4.8
247.14828	6.9
249.12764	7.0
249.16367	11.7
251.14450	5.8
251.18025	5.2
259.14743	6.4
261.12616	5.8
261.16617	4.5
263.14426	4.6
263.17941	5.0
265.12262	3.9
265.16000	3.8
265.19202	3.5
267.13867	5.0
273.16455	5.9
275.14291	4.3
275.18027	7.4
277.15900	10.5
279.17386	6.3
281.15320	4.0
289.19400	4.8
291.17426	5.7
293.15350	4.3
293.18793	7.0
303.17361	4.7
305.15366	4.6
315.17502	5.0
317.19000	4.9
318.63553	3.5
319.16144	3.2
331.16663	3.7
335.19980	3.9
337.17963	3.9
353.17328	4.7
355.19186	3.8
361.17593	4.7
377.24619	3.8
379.19458	4.0
387.23059	5.6
389.24744	6.8
391.22794	4.5
397.19894	3.5
405.24060	5.0
407.25714	5.3
415.21185	28.0
419.25754	3.5
429.23929	5.4
431.25949	26.1
447.25339	7.0
449.26840	37.8
457.23599	15.7
465.26257	10.6
467.28076	36.6
468.27890	4.3
475.24854	40.2
481.25919	7.4
483.27454	6.5
493.14380	4.1
493.25876	79.0
494.25977	9.6
499.26825	11.6
511.26852	82.5
512.27258	14.3
526.31476	3.3
529.27991	100.0
530.28107	13.5
564.31860	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	13.8
64.01080	1.0
67.05501	1.3
69.33938	8.1
81.07040	2.6
83.04980	100.0
84.05319	2.9
84.77911	1.4
91.05479	1.3
93.07033	3.0
95.08603	4.6
95.93151	1.1
98.23405	2.0
105.07040	2.7
107.08619	1.9
109.10167	2.0
111.08152	2.1
119.08606	4.5
121.10150	2.3
123.08075	1.2
123.41737	1.2
127.72034	1.0
129.07031	1.7
131.08549	1.7
133.10138	1.9
135.11650	1.2
143.08566	4.0
145.10121	3.3
155.08521	1.5
157.10150	4.8
159.11661	2.3
161.09651	2.6
169.10176	1.6
171.11627	1.4
173.13181	1.2
183.11723	3.8
184.12505	1.1
185.09663	1.3
185.13239	5.9
187.11276	1.2
189.12720	1.7
195.11646	1.3
197.13298	2.2
201.12810	2.8
209.13300	1.4
211.14734	1.2
213.12708	3.2
227.14362	1.4
239.14282	1.4
239.18028	2.5
265.15842	1.3
267.17484	3.4
323.20111	2.4
325.21606	4.5
327.19589	1.6
341.21280	1.4
351.19543	4.0
365.24368	1.3
369.20523	4.5
379.26328	8.9
381.24277	1.5
389.24982	2.3
407.25803	64.6
408.26126	5.8
425.26868	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.8
67.05515	8.6
69.07059	4.1
81.07066	14.4
83.05006	8.7
83.08633	3.9
91.05494	11.1
93.07066	11.8
93.18475	3.8
95.08617	22.1
97.06577	4.9
105.07042	17.6
107.08602	8.3
109.06567	7.3
109.10166	6.6
111.04447	5.9
111.08099	4.5
119.08610	12.9
121.06506	4.2
121.75016	3.6
123.08118	7.5
129.07019	4.6
131.08600	9.5
133.10179	11.4
143.08594	13.8
145.10162	12.1
147.08087	8.8
155.08641	5.1
157.10181	14.5
159.08057	9.9
159.11734	11.6
161.09647	14.8
169.10176	12.1
171.08058	8.6
171.11649	7.2
175.11224	9.1
181.10101	4.4
183.11739	12.1
185.09593	5.1
185.13306	12.1
197.13301	6.9
199.11356	5.5
201.12843	7.0
209.13248	10.6
211.14864	7.6
213.12793	11.1
225.12785	14.3
227.14272	14.7
229.16087	4.0
235.14793	4.4
239.18030	10.4
249.16434	7.4
267.17352	19.3
279.17419	4.1
316.41074	4.1
360.11581	4.5
365.24734	6.0
367.22693	100.0
368.23221	6.0
379.26291	24.0
380.25952	4.6
389.24710	12.5
407.25879	71.9
408.26443	6.1
425.26852	6.1
493.25708	4.6
511.27060	12.2
564.23285	5.6
565.19031	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61037	5.4
53.03939	13.3
55.01850	8.1
55.05511	36.3
57.03432	27.9
61.02925	20.2
67.05508	79.1
69.03420	12.5
69.05774	49.8
69.07061	38.8
71.05003	5.8
77.01671	6.2
79.05070	8.3
79.05502	81.7
81.03414	19.9
81.07060	100.0
83.04974	22.5
83.08641	11.6
85.02905	24.9
91.03948	7.6
91.05482	93.7
93.07050	96.2
95.04990	14.8
95.08607	47.4
97.02896	16.9
97.06526	20.5
99.04460	6.8
99.08102	6.5
105.07047	69.7
107.04960	12.4
107.08588	53.8
109.02835	6.8
109.06520	13.4
109.10153	22.6
115.05446	6.3
117.07008	21.4
119.08584	63.6
121.06497	6.0
121.10142	31.5
123.08087	13.9
129.07008	9.7
131.08592	32.1
133.10104	41.8
135.07983	6.3
135.11729	29.9
143.08493	8.9
145.10115	19.4
147.11656	36.1
149.09598	15.6
149.13266	17.6
157.10138	8.1
159.11745	30.1
161.13249	15.9
171.11691	12.8
173.13278	7.9
185.13290	8.3
195.13716	7.3
199.14842	12.6
219.70815	6.3
241.19475	16.3
249.86552	5.8
257.19208	7.4
259.20621	39.5
269.17496	69.2
275.20096	14.6
291.00769	6.0
333.24234	8.7
351.25378	46.2
379.48129	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	5.6
55.05514	20.7
57.03441	16.2
67.05506	48.8
69.03425	17.8
69.07075	24.2
79.05497	44.9
81.03421	11.0
81.07055	100.0
82.06929	5.8
82.07415	15.1
83.04990	20.3
83.08603	7.9
85.02882	6.8
91.05473	44.5
93.07038	50.5
95.04960	11.4
95.08626	29.1
97.06547	22.7
99.22727	5.2
105.07021	36.8
107.04986	5.4
107.08582	29.7
109.06537	22.0
109.10162	14.7
113.77824	4.8
117.07059	13.0
119.08606	21.4
121.06525	11.1
121.10168	14.7
123.08087	8.0
131.08598	16.6
133.10132	17.8
135.08055	11.2
135.11711	14.0
137.05949	42.8
138.06322	17.4
145.06351	5.2
145.10141	13.1
147.11726	8.6
149.09665	10.0
149.13271	11.1
155.08583	9.0
157.10114	15.0
159.11699	18.9
161.13240	6.2
163.11195	10.5
169.10060	7.2
171.11765	7.2
173.13304	8.3
175.11203	7.5
177.12796	21.8
183.11836	7.7
189.11145	6.2
235.48352	5.1
255.15878	32.2
269.17480	74.3
275.20001	13.5
349.23727	35.6
367.24927	19.9
453.21997	11.9
483.23376	18.9
564.28247	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04983	0.6
63.41602	0.5
65.04847	0.4
69.03433	0.5
69.23754	2.7
69.24169	0.9
73.02898	0.9
73.06554	2.2
87.04465	11.5
89.06030	100.0
90.06355	1.0
91.07597	0.6
95.51011	0.5
105.01756	0.4
107.07073	1.9
114.69028	0.5
117.09122	1.4
123.04428	0.6
127.03951	0.8
130.08635	0.7
131.07045	3.6
133.08598	60.2
134.08942	1.4
139.03905	3.3
140.04237	0.6
149.84840	0.5
160.07454	0.5
167.07149	0.4
175.09659	2.8
177.11220	20.3
183.24017	0.6
219.12230	0.5
221.13835	3.1
223.15302	0.5
239.14912	0.8
265.16473	1.0
278.17911	0.5
283.17450	0.8
309.19229	0.5
327.20221	0.7
360.00842	1.3
377.01886	3.6
378.02084	6.4
379.02399	0.6
395.02905	1.1
396.03143	2.3
503.30890	0.8
504.05231	1.0
517.61688	0.5
522.06439	1.3
547.33124	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1551
Annotation	Kaempferol 3-rhamnosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
55.01860	1.6
55.05512	1.0
56.59295	0.7
57.03437	4.7
64.49284	0.7
68.99781	1.0
69.03426	3.0
70.47778	2.0
70.76566	0.6
71.01352	1.0
71.04995	27.2
73.02919	0.8
75.04490	1.0
76.88465	0.9
77.15461	0.7
83.04971	1.9
85.02905	30.5
91.75446	0.7
95.04990	0.9
97.02877	2.8
107.04967	0.8
109.02920	0.7
109.78810	0.7
111.00776	0.7
111.04422	2.2
115.03933	2.6
121.02858	5.3
121.89161	0.7
129.05484	8.5
137.05865	0.7
139.03899	1.9
147.06511	2.8
153.01788	3.4
159.96381	0.7
165.01823	1.9
171.06467	0.8
179.72545	0.8
183.02914	1.4
184.46758	0.8
185.96379	0.7
213.05476	1.5
241.04666	0.8
259.06061	0.9
283.06009	1.0
287.05487	100.0
288.05856	5.3
299.05524	8.0
300.05905	0.9
311.05563	1.7
313.07117	1.3
317.06467	1.6
325.07050	2.5
329.06638	6.8
337.06982	2.8
353.06525	6.1
365.06543	3.0
383.07660	7.8
401.08548	2.7
419.09732	6.3
456.50412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1551
Annotation	Kaempferol 3-rhamnosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
50.01272	0.9
52.89106	1.1
54.00783	1.0
55.01891	1.0
55.05505	1.0
57.03446	4.7
61.02901	1.2
64.36881	0.9
69.03423	3.6
69.18993	7.5
71.04992	17.1
71.47251	0.8
73.02914	2.5
75.04488	1.4
77.76142	0.9
79.05499	1.0
81.03455	0.8
81.07040	1.4
83.04980	3.1
85.02901	23.4
91.05442	1.3
93.07064	1.8
95.04974	1.1
97.02890	3.9
99.04460	1.3
104.57838	0.9
105.07013	1.8
106.37282	0.9
107.08623	1.2
108.14305	0.9
109.06541	1.2
111.04469	1.5
115.03960	1.2
119.08597	0.9
121.02863	4.7
129.05475	5.9
131.08492	1.1
133.10199	0.9
137.06007	1.5
147.06529	1.1
153.01848	3.4
161.09535	1.0
161.13171	1.1
165.01836	2.8
183.02878	1.0
207.09981	0.9
213.05399	1.3
225.07626	1.2
253.15929	1.0
287.05490	100.0
288.05850	4.3
299.05478	5.8
300.06253	1.3
311.05414	1.2
313.07001	2.1
325.06863	2.0
329.06509	4.8
353.06528	3.8
365.06674	1.9
383.07727	4.4
401.08707	2.0
412.98758	1.0
419.09802	6.1
459.27603	1.9
471.27625	1.0
545.97418	1.0
565.23291	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47789	13.7
78.52176	2.3
82.06486	2.5
91.05493	2.3
94.57742	2.5
97.36327	1.9
111.18085	2.4
115.05431	2.6
118.06529	26.7
130.74678	2.4
132.08063	6.2
139.03885	4.1
143.07285	2.8
144.08067	12.6
146.06007	73.0
159.09187	7.4
161.24312	2.2
170.06050	5.5
188.07066	100.0
189.07407	5.2
199.09485	2.7
205.09705	41.5
343.99731	2.9
403.14853	3.5
451.42078	2.3
565.19830	3.0
580.02106	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.05512	77.0
70.10038	1.3
70.10387	0.9
80.94860	0.8
83.04980	100.0
84.05324	1.4
103.05514	0.6
104.50603	0.5
167.07013	1.1
189.06906	0.6
194.07236	0.6
222.06737	0.6
233.06190	0.7
235.07529	0.6
236.08397	0.7
237.09070	1.0
250.06105	2.1
251.07001	1.1
253.04874	1.7
263.06943	1.4
264.07635	1.0
265.04919	0.7
265.08499	3.7
266.05664	0.6
266.09027	0.8
267.06540	2.8
275.07025	0.8
277.04889	0.9
277.08340	0.7
278.05649	2.0
278.08664	0.6
279.06458	1.4
280.07242	1.1
281.07648	0.7
283.05774	0.7
286.04691	0.7
291.06409	1.1
292.07233	1.9
293.07986	3.9
294.08679	1.3
295.05957	1.1
295.09457	1.1
297.07504	1.6
297.10794	0.6
301.06982	1.3
304.07291	1.0
305.07916	0.9
306.08807	0.6
307.05905	1.7
307.09573	2.0
308.06808	1.3
309.07425	1.7
310.08176	0.9
311.05310	0.6
311.08820	0.6
321.07352	1.9
322.08191	1.2
323.05353	1.3
323.09006	3.4
324.09698	0.9
325.06851	1.7
325.10580	1.6
326.07706	0.8
327.08652	0.8
329.10144	1.7
333.07440	1.1
334.08203	2.5
335.05414	0.8
335.08969	1.1
337.10339	0.9
338.07675	1.3
339.08432	2.3
340.09442	0.7
341.10165	0.8
350.07816	1.9
351.08447	2.3
352.09210	0.8
353.06482	0.8
353.10175	5.1
354.10645	1.8
355.11850	4.0
365.10184	7.5
366.10922	1.0
367.08078	0.7
368.08524	1.2
383.11249	52.4
384.11630	2.6
395.14780	2.3
407.10992	0.6
435.14410	4.1
437.15964	3.7
465.15463	7.5
466.15558	0.7
483.16095	1.5
529.29309	0.7
565.20020	1.4
569.99915	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
61.56692	0.6
70.17378	0.5
71.29229	0.7
71.29631	0.7
85.02874	1.2
97.02836	0.7
105.06944	0.7
119.08501	0.7
131.20355	0.6
143.03094	1.7
144.08067	8.5
159.09167	0.7
175.32292	0.6
185.04196	1.9
185.06496	1.2
195.09982	0.9
195.63101	0.6
203.03532	1.0
203.05273	12.4
203.07372	1.3
220.61157	0.6
223.09448	1.5
241.10474	45.9
242.10759	2.4
259.03595	0.7
341.15558	1.0
403.15729	100.0
404.16110	4.6
404.20822	0.6
409.90891	0.7
502.45016	0.6
565.21027	78.8
566.21722	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06546	0.8
71.29382	0.6
74.04370	0.4
74.16404	0.4
84.52659	0.5
85.02850	1.3
99.04348	0.5
105.06979	0.5
121.10054	0.5
123.04397	0.5
131.08493	0.5
143.03078	0.9
144.08081	5.5
161.10683	1.1
166.38815	0.5
177.05470	0.7
179.10339	0.8
185.04228	2.6
203.05264	13.5
203.07314	0.9
223.09445	1.0
241.10474	45.9
242.10773	1.9
242.17542	0.9
259.10400	0.6
280.84042	0.5
311.10071	0.6
341.15781	1.0
398.66602	0.5
403.15707	100.0
404.16153	5.3
496.77350	0.5
515.13226	0.6
517.95691	0.5
565.20990	85.5
566.21417	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.6
55.05517	1.0
61.07700	0.4
65.03918	0.5
67.05504	1.2
69.03429	0.9
69.07061	0.7
69.39008	0.4
71.04991	0.7
73.02927	0.5
77.17191	0.5
79.05491	1.9
81.03440	0.8
81.07052	6.8
83.04988	1.1
85.02901	1.1
91.05472	1.9
93.07046	1.1
95.04967	1.0
95.08610	2.2
97.02859	1.0
97.06506	3.5
98.06882	0.5
103.83215	0.5
105.07052	0.9
107.04930	0.7
107.08578	1.3
109.06527	2.0
109.10157	0.9
111.04469	0.5
119.08591	1.3
121.06489	0.8
121.10143	0.7
123.04484	0.7
123.08074	2.1
127.03859	0.5
131.08609	0.5
133.06422	0.7
133.10181	0.8
134.95186	0.5
135.08000	0.9
137.05975	8.0
143.08588	1.1
145.06453	0.6
145.10071	0.5
147.08038	0.6
157.06535	0.6
157.10121	0.9
159.08051	0.5
161.06004	0.5
161.09688	0.7
163.03813	0.7
167.07069	0.6
169.10152	0.6
171.07939	0.6
173.09596	0.7
175.07643	0.7
175.11179	0.4
183.11682	0.5
184.07231	0.5
187.07597	0.6
191.07076	0.7
199.07524	0.8
202.82373	0.5
207.11891	0.7
224.66261	0.4
225.09280	0.7
239.10643	0.7
249.09157	0.5
253.12271	0.5
257.11725	0.5
269.11536	0.6
281.11646	0.4
287.05563	1.2
355.15408	0.9
373.16568	1.7
397.16232	4.6
403.20813	1.8
423.18359	0.8
427.17276	0.7
431.18100	0.7
433.16412	0.8
438.36115	0.6
441.18768	0.5
449.19324	0.9
451.17639	1.8
457.23920	0.6
469.18448	3.4
470.19244	0.6
475.24127	0.5
487.19803	1.0
503.23822	1.2
511.19720	0.7
519.23431	0.7
521.24573	1.2
521.30963	1.6
522.68152	0.5
531.23706	0.9
540.60583	0.5
547.22699	1.8
547.30157	0.7
548.23676	0.7
565.23846	100.0
566.24200	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23223	0.4
53.03942	0.6
53.15186	0.4
55.05503	3.9
57.07075	1.2
58.06591	0.7
61.27389	0.4
65.03938	0.6
67.05502	7.2
69.07068	4.6
69.58585	2.4
71.08598	0.5
71.31754	0.4
74.09718	3.5
75.10062	0.6
76.07622	0.5
78.04727	0.5
79.05479	4.0
81.07053	14.3
83.08609	1.9
84.23406	0.5
91.05475	10.8
93.07039	8.8
95.08606	13.4
97.10156	0.8
98.22639	0.6
103.05480	0.4
105.07028	37.1
106.07838	0.6
107.04926	1.4
107.08589	11.7
107.09288	0.9
107.47462	0.4
109.09578	0.5
109.10152	15.8
117.07008	1.6
119.08577	32.1
120.08916	0.7
121.10146	7.6
122.10920	1.5
123.04421	1.7
123.11710	6.5
124.05201	1.1
131.08548	3.0
133.10127	20.1
134.10934	0.4
135.08022	0.9
135.11703	2.9
135.83568	0.4
137.05965	1.2
139.03918	2.1
143.08566	0.7
145.06544	0.5
145.10085	3.3
147.11678	27.8
148.12495	3.7
149.13266	5.9
152.04623	0.6
153.05438	1.8
155.92950	0.5
159.11685	1.4
160.12494	1.5
161.13252	44.5
162.13702	1.8
163.07564	2.0
163.14873	0.6
167.07033	24.3
168.07397	0.7
173.13252	0.5
175.07600	0.7
175.14812	4.3
177.05466	0.7
177.12743	1.3
177.16347	0.8
179.07033	0.9
181.08647	0.7
183.61880	0.4
189.09122	0.7
189.16377	20.0
191.06970	2.1
193.08604	3.5
195.10197	0.6
203.17947	100.0
204.18713	59.3
205.12256	4.4
205.19170	3.8
207.10101	1.2
207.23888	0.5
221.11729	5.9
223.13228	0.5
235.13263	5.5
236.13850	0.6
237.14832	6.0
245.11810	0.5
247.13219	0.9
259.13290	1.1
261.14957	0.7
329.13794	1.5
343.15616	0.9
361.16483	2.5
375.18063	0.5
389.19705	0.6
413.19876	0.7
465.52435	0.5
486.43134	0.4
565.35046	8.1
566.35602	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3522
Annotation	Manzamine E
Peak:m/z	Relative Intensity
53.03944	1.2
55.05510	6.5
57.07070	3.1
60.48404	0.9
63.82043	0.9
64.86275	0.9
65.03934	1.1
67.05504	11.4
69.07053	6.7
70.57447	1.1
70.57790	2.2
70.92551	1.0
77.03944	0.9
78.04694	1.1
78.75986	0.9
79.05495	8.7
81.07057	18.1
83.08601	2.5
85.06522	1.2
91.05475	16.0
93.07040	17.7
95.04963	1.8
95.08606	18.9
105.07028	53.8
106.07278	1.2
107.08591	18.1
107.64874	1.1
109.06493	1.2
109.10143	19.9
117.07034	3.6
119.08575	45.1
120.08874	1.3
121.06506	1.3
121.10130	14.5
122.10956	1.2
123.04450	1.5
123.08069	1.1
123.11707	8.9
128.06172	2.4
129.07010	1.7
131.08536	6.4
133.10130	27.4
134.10518	0.8
135.08026	1.9
135.11703	5.2
137.05974	1.5
137.09660	1.4
139.03897	1.7
142.07750	2.3
143.08569	3.8
145.06468	1.5
145.10123	9.7
147.08012	0.9
147.11678	36.5
148.12440	4.5
149.13246	7.7
152.04726	1.2
153.05453	3.1
155.08554	2.4
156.09352	1.7
157.10153	5.0
158.10890	1.6
159.11679	4.7
160.12392	2.0
161.05952	1.0
161.13255	50.8
162.13705	3.0
163.07559	3.1
163.14812	2.0
165.05493	1.3
165.09135	1.9
167.07025	27.4
167.08322	1.1
169.10146	2.5
171.11665	3.1
173.09637	1.7
173.13258	2.9
175.14812	4.3
176.08261	1.8
177.09082	1.5
177.12729	3.2
179.08559	2.1
181.08612	1.4
181.10155	1.9
183.11624	1.4
185.13208	2.1
187.11113	1.0
187.14922	1.1
189.16357	25.9
190.16672	1.0
191.06987	2.6
193.08617	4.3
193.10185	2.2
194.10918	1.8
195.11687	2.3
197.13229	1.4
203.17944	100.0
204.18716	68.1
205.12177	5.7
205.19156	5.1
207.10020	1.1
207.11783	1.9
209.13326	2.6
211.14944	1.0
219.11821	1.9
221.11642	6.6
221.15370	3.1
223.14879	2.0
231.11635	1.5
233.15387	1.0
235.13263	5.8
237.14751	8.7
239.17966	0.9
258.05133	1.1
259.13159	1.3
265.19583	1.5
273.07755	1.0
277.19562	1.9
287.77185	1.0
329.13852	1.6
349.25504	1.0
361.16489	2.6
491.32318	1.4
547.39270	1.7
564.26086	1.0
565.34229	5.6
565.40546	7.7
566.34344	1.3
566.41937	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.6
55.05508	2.8
55.06974	0.5
57.07077	1.0
60.37624	0.6
65.03937	1.0
67.05503	6.3
69.07063	4.8
69.24073	1.3
69.24479	3.5
78.04718	0.8
79.05474	4.2
81.07057	12.8
83.08606	2.0
86.63297	0.6
91.05473	9.2
93.07042	9.0
95.08602	10.5
103.05449	0.9
105.07029	36.5
106.07271	0.8
107.04932	0.7
107.08593	11.9
108.09409	0.9
109.10144	9.8
110.10484	0.5
117.07014	1.7
119.08577	28.4
121.06443	0.8
121.10140	6.2
122.10923	1.5
123.04417	2.3
123.11696	5.4
131.08571	1.7
133.10124	17.1
135.08086	1.1
135.11674	2.8
137.06001	1.0
139.03917	2.1
145.10112	2.9
146.10846	0.7
147.04440	0.6
147.11682	19.7
148.12476	5.5
149.13272	8.4
153.05463	1.8
159.11679	1.1
160.12462	1.3
161.05969	0.8
161.13249	60.3
162.13602	3.3
163.07564	2.7
163.14793	1.6
165.05432	1.2
167.07037	32.9
168.07416	1.4
171.08006	0.7
175.07545	0.9
175.11278	0.6
175.14836	3.8
176.08194	0.7
177.05499	0.5
177.12820	0.6
179.07018	1.0
181.08548	0.8
189.09160	0.7
189.16382	33.4
190.16722	1.6
191.07022	2.7
191.10626	0.7
193.08669	4.4
195.10156	0.7
203.10661	1.1
203.17947	40.3
204.18726	100.0
205.12207	4.0
205.19170	7.4
207.10110	2.0
221.11723	8.2
233.11819	0.8
235.13229	8.6
236.13553	1.4
237.14848	8.5
241.12379	0.5
245.11635	0.7
247.13400	0.8
259.13257	1.1
329.13776	1.7
343.15140	1.4
361.16473	2.9
375.18039	0.7
413.19553	3.0
565.35107	9.9
566.35522	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.05512	3.9
55.81298	0.4
57.07066	1.3
58.06577	1.0
65.03931	0.5
67.05502	7.3
69.07064	6.3
74.09715	5.2
74.19186	0.4
76.07640	1.9
78.04700	0.5
79.05478	5.0
81.03394	0.4
81.07056	11.9
83.08639	2.0
91.05476	9.6
92.45920	0.5
93.07043	8.5
95.04957	1.0
95.08604	13.7
97.10144	0.4
101.07140	0.9
103.05470	0.7
105.07030	38.4
106.04198	0.6
106.07299	0.7
107.04971	0.7
107.08595	12.2
109.10155	14.8
110.10429	0.5
114.87784	0.5
117.07026	2.1
119.08578	33.4
119.24284	0.4
120.08851	0.5
121.06451	0.4
121.09291	0.6
121.10152	8.6
122.10965	0.9
123.04425	2.2
123.11716	7.6
124.05173	1.0
129.06903	0.6
131.08566	2.8
133.10129	21.4
134.10561	0.6
135.07979	0.8
135.11703	3.7
135.32541	0.4
137.05977	1.5
139.03896	2.3
139.07545	0.4
143.08582	0.6
145.06454	0.5
145.10115	4.2
146.11029	0.5
147.11687	28.2
148.12463	2.8
149.05940	0.5
149.13246	6.2
151.03862	0.8
152.04697	0.7
153.05440	3.1
154.61276	0.4
157.06439	0.5
159.11708	1.7
160.12445	1.7
161.13257	45.3
162.13788	1.7
163.07539	2.2
163.14764	1.2
165.05566	0.5
167.07037	26.7
168.07375	0.6
173.09593	0.9
175.07564	1.1
175.11104	0.6
175.14824	3.7
176.08324	0.6
177.05533	0.5
177.09137	0.5
177.12749	1.0
177.16389	0.5
179.06987	0.6
181.08505	0.6
189.09030	0.6
189.16380	19.5
190.09793	0.5
190.16707	0.7
191.07085	2.0
193.08575	3.9
195.10085	0.6
203.17947	100.0
204.18719	59.7
205.12244	3.9
205.19278	4.0
207.10207	1.2
219.10133	0.6
221.11713	4.8
235.13280	5.7
237.14832	7.1
238.15250	0.5
259.13156	1.2
282.24130	0.4
297.11090	0.7
329.13739	1.1
343.15427	0.8
361.16293	2.6
363.17801	0.5
375.17883	0.6
389.20120	0.5
399.18073	0.5
413.19601	1.4
415.20813	0.6
502.91379	0.5
541.87061	0.4
565.35162	7.6
566.35101	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15623	1.0
55.05509	2.6
59.17591	1.0
63.17477	1.1
66.61510	1.0
69.03421	3.8
70.06592	23.1
71.04983	1.1
71.29093	1.4
71.29488	1.3
74.21086	0.9
81.03405	1.9
81.07050	1.7
82.06573	6.9
85.02899	11.5
91.05476	11.8
93.07053	1.6
95.08617	1.4
97.02895	4.5
105.07023	1.7
107.08576	2.8
109.02916	1.2
109.06528	7.4
118.04204	1.4
119.04933	22.3
121.10207	1.4
123.04418	8.3
127.03893	2.7
128.57428	1.0
130.67084	1.0
131.81693	1.1
132.02135	1.3
133.10127	1.3
144.08069	22.5
145.05016	3.2
145.08443	4.3
147.04398	23.0
147.05469	1.5
147.11728	1.4
149.02380	1.3
150.09169	3.0
151.03871	1.9
155.19930	1.0
157.03969	2.2
161.10735	3.9
164.04704	1.4
165.05525	2.6
165.12758	1.9
175.03903	40.2
176.04318	1.1
177.05467	20.9
179.07039	2.2
188.14359	2.0
192.04204	9.6
206.08138	1.1
206.15381	8.1
207.06522	100.0
208.06876	3.3
221.08075	6.6
224.01019	1.2
224.16431	8.0
225.07568	49.6
226.08008	2.9
234.11275	3.1
242.17537	2.4
286.46875	1.1
303.65964	1.3
329.10181	3.4
368.20636	1.6
386.21777	1.2
404.15512	1.5
405.11472	1.8
548.21045	14.2
549.21582	1.5
566.21735	4.6
567.16284	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01863	2.0
56.73858	1.9
58.06416	2.1
61.02923	2.5
69.03429	6.1
69.32276	13.7
70.06600	3.8
73.02930	3.0
75.73486	2.0
85.02911	18.1
91.05478	14.1
95.04981	4.1
97.02897	6.1
98.23342	4.0
105.07056	8.2
108.04528	3.2
115.40803	2.2
118.04205	2.9
119.04952	24.3
122.09715	3.6
123.04474	5.2
127.03915	7.2
145.04932	7.5
145.52519	2.2
147.04402	22.5
157.03976	3.4
167.07086	3.2
175.03885	37.7
177.05518	5.8
179.07068	2.5
181.86829	2.3
188.62996	2.1
191.06960	3.1
192.04182	8.3
207.06517	100.0
219.06621	2.9
225.07600	42.6
241.10378	3.2
242.10559	2.8
252.12103	4.7
270.09833	2.5
282.09683	2.6
294.10089	2.4
298.08936	2.8
305.75583	2.2
306.41888	2.3
312.10666	3.2
314.12280	2.6
316.10168	3.1
337.09097	21.0
344.09811	2.6
371.12057	2.6
372.12592	5.4
403.15823	5.5
404.16055	8.3
470.12744	2.5
516.13226	3.6
534.14209	5.5
548.15717	11.6
566.15863	50.6
567.16943	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15773	2.0
62.86578	2.1
105.03400	9.4
142.06044	2.5
154.90900	2.5
210.13622	2.8
211.07578	5.2
213.05579	2.4
224.08455	3.2
226.06134	2.6
227.07144	5.1
235.07567	5.4
237.05524	3.1
237.09090	2.9
239.10695	7.2
252.07874	5.2
253.08527	4.1
255.06575	5.0
263.07101	2.4
265.08597	6.6
267.06662	3.2
267.10168	13.0
268.07260	4.3
269.08154	5.3
269.11581	3.7
279.09903	2.6
280.07385	2.9
281.08096	2.8
282.08936	4.0
283.05975	4.9
284.06683	5.1
285.07556	6.4
293.08118	6.0
293.11713	3.1
295.06274	3.6
295.09647	14.5
296.06778	5.5
297.07593	8.3
297.11273	10.6
299.05731	4.8
299.09192	13.4
305.08243	2.8
310.08359	3.8
311.05655	5.1
311.08862	3.6
313.06940	8.4
319.09219	3.1
323.12750	3.6
325.10672	26.6
326.07782	15.4
326.11237	4.7
327.08603	13.8
327.12259	5.2
339.12189	2.8
341.09985	4.6
342.07315	5.8
342.11240	2.2
351.12250	10.2
355.11765	67.9
356.12115	3.7
357.09702	29.1
369.13257	13.4
381.13043	5.0
389.30530	2.6
399.09048	5.1
399.14377	100.0
400.14700	7.5
534.51617	2.2
555.17004	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26595	2.5
50.75711	2.1
53.66387	2.9
55.01887	2.9
55.05520	2.9
57.03437	2.9
67.05521	4.2
69.03432	14.5
69.07665	26.0
70.06600	3.2
71.04987	10.1
79.05497	6.4
81.07066	12.8
85.02908	23.6
91.05490	12.8
93.07040	20.7
95.04948	3.1
95.08572	6.5
97.02883	13.1
99.04469	32.4
105.07036	67.1
107.04988	4.2
107.08605	19.1
109.06553	5.1
119.08578	17.8
121.06501	3.5
123.08080	5.7
127.03939	9.3
131.08632	4.0
133.06499	6.3
133.10130	69.3
135.11801	3.5
137.06001	8.7
143.08585	9.7
143.42519	2.8
145.05003	8.6
145.10110	9.4
146.07208	3.4
147.08086	13.2
151.07555	6.8
151.11244	4.5
161.09624	100.0
162.09938	3.1
163.06143	3.2
163.11188	86.3
164.11597	4.2
179.10663	66.5
179.12125	4.9
189.09135	34.4
195.79413	2.9
201.16502	3.9
207.10178	81.8
209.56665	2.9
219.17479	7.6
225.11215	35.2
303.05032	3.7
333.13495	5.4
351.14395	25.5
404.18167	3.2
437.16904	2.7
477.28476	6.5
494.19440	3.4
504.74316	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.0
55.05505	1.6
55.22937	1.1
57.03430	6.4
61.02909	1.7
65.03942	1.4
67.05508	3.1
67.06973	1.6
69.03428	27.3
69.73309	6.7
71.05001	11.4
73.02915	5.6
79.05491	7.4
79.11223	1.4
81.03419	6.1
81.07060	8.5
85.02906	16.5
87.04498	2.8
91.05481	13.7
93.07031	12.2
95.04982	2.0
95.08618	6.8
97.02886	22.6
99.04456	34.5
103.25631	1.2
105.07030	68.5
106.07397	2.1
107.04961	3.2
107.08582	14.4
109.02894	3.6
109.06532	5.9
109.10146	2.4
111.04465	1.8
111.08054	2.8
115.03932	13.5
117.07039	3.1
119.04963	1.5
119.08564	10.8
121.06499	2.8
123.08058	3.6
127.03918	12.7
128.06204	3.9
131.08562	4.6
133.04948	10.1
133.06499	10.2
133.10123	48.0
135.08116	1.5
135.11694	1.7
137.05957	3.2
143.08565	17.2
145.04962	6.5
145.10095	8.9
146.07222	2.2
147.08038	4.4
147.11711	2.2
149.09631	2.0
151.07564	7.1
151.11150	1.8
159.11729	2.0
161.09612	100.0
161.13260	3.1
162.09909	3.1
163.06075	1.8
163.11189	22.7
171.08080	2.2
179.10677	31.3
180.10982	1.4
185.09560	1.4
189.09091	31.0
189.10651	2.2
201.16388	6.9
207.10167	28.4
219.17400	3.6
225.11206	17.4
229.07010	1.6
237.18472	3.1
247.08127	1.8
249.11282	1.6
295.10196	2.4
315.12341	1.6
323.14972	4.9
333.13333	5.6
351.14371	56.7
352.14886	3.8
369.15524	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.05503	2.4
67.05502	5.4
69.03085	2.4
69.03432	9.0
70.99689	3.7
71.04990	5.8
79.05495	7.7
81.07067	28.6
83.04984	3.0
85.02910	10.8
91.05477	11.0
93.07053	10.2
95.04977	10.3
95.08601	15.6
97.02905	8.0
97.06535	6.1
99.04482	6.7
105.07045	12.3
107.04924	2.7
107.08577	6.5
109.06516	29.4
111.04424	5.1
115.05482	3.3
116.07990	2.3
117.06932	3.2
119.04996	3.2
119.08595	8.8
121.06515	13.7
121.10178	3.4
123.08076	8.9
129.07024	7.4
131.08569	7.8
133.06514	7.5
133.10124	6.5
135.08099	6.8
137.05974	53.6
137.09628	3.6
141.06975	3.6
143.08554	9.7
145.06485	5.5
145.10117	10.0
147.08055	11.6
151.07462	3.0
153.05531	2.5
155.08568	7.7
157.06499	3.7
157.10118	6.1
159.04369	3.5
159.08078	10.1
161.06013	3.2
161.09610	10.1
163.05980	2.7
163.07509	5.7
167.07123	3.8
167.08449	5.4
169.10124	7.1
171.08092	6.9
171.11751	3.9
173.09595	6.9
173.13126	2.4
175.07495	4.1
179.08607	3.8
180.09435	2.9
181.10126	4.0
183.08011	2.9
183.11710	5.5
184.07370	2.9
185.06024	2.8
185.09589	5.6
187.07542	6.4
187.11200	6.4
189.09108	6.5
193.08620	3.9
195.08168	4.8
195.10065	3.4
195.11719	5.3
197.09639	8.5
199.07545	7.9
201.09099	5.7
209.09641	6.9
209.13242	3.0
211.07480	5.5
211.11154	7.0
213.05510	3.3
213.09074	3.5
214.09770	2.6
215.10730	4.7
219.11856	3.6
219.17496	3.3
223.11189	3.2
225.09120	2.7
227.07072	3.3
227.10649	3.3
233.09679	5.6
233.13416	2.8
235.11243	5.5
235.14873	3.0
237.09055	5.0
237.18484	3.4
239.14204	4.1
249.12686	4.8
251.10690	9.7
251.14320	5.7
252.11369	4.7
253.12422	3.2
253.15727	4.8
261.09073	2.9
261.12912	4.5
263.10895	3.5
263.14304	4.1
267.13849	3.2
269.11517	3.9
273.12802	4.5
277.12372	5.3
279.10306	4.9
280.10898	5.9
287.05478	10.8
288.05847	16.8
289.12054	4.4
291.13693	3.3
295.13562	2.9
297.11328	5.4
301.12335	3.6
307.13354	6.2
309.18579	2.9
319.13535	3.0
324.12509	2.8
337.14450	6.7
340.80881	2.7
349.14307	2.8
389.17361	7.7
397.16537	4.0
399.16110	3.4
407.18460	7.9
415.18896	3.3
417.17136	13.0
419.22391	3.5
425.18912	11.5
425.24210	27.6
435.17938	55.9
435.23239	3.9
436.18008	3.7
437.23227	43.0
438.23453	3.1
449.23410	5.4
451.21118	10.6
453.19043	100.0
454.19162	5.2
455.24274	5.9
459.17917	3.0
465.22522	6.7
467.24969	12.5
471.20029	15.3
477.18558	17.3
483.23892	5.3
487.22842	3.4
489.21268	4.1
495.20102	42.3
501.24680	20.2
513.21106	58.0
514.21387	6.3
531.22638	4.6
567.23529	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52650	1.4
55.05520	2.0
67.05498	2.5
69.03427	11.8
69.07084	1.8
69.30933	6.8
69.31330	4.1
72.76652	1.4
73.32326	1.6
76.02758	1.5
79.05500	9.8
81.07056	73.0
83.08630	1.5
91.05507	7.6
93.07024	2.7
95.04970	3.6
95.08602	3.3
97.06536	2.5
97.41594	2.0
99.04456	1.8
100.11254	2.7
105.07029	3.5
107.04934	2.6
107.08605	4.3
109.06522	25.2
111.08072	2.7
115.05527	2.0
117.07005	1.8
119.08567	3.9
121.06520	4.3
123.08132	2.6
129.07019	3.4
131.04929	1.8
131.08595	4.0
133.06494	2.4
133.10106	2.6
135.08052	2.2
137.05974	100.0
138.06277	4.2
139.07518	3.4
141.07001	2.5
142.07697	1.8
143.08556	4.1
145.06387	2.5
145.10117	3.6
147.08067	7.1
149.05971	2.2
154.07843	1.5
155.07146	1.5
155.08554	4.4
156.09244	1.4
157.06447	1.6
157.10103	3.6
159.08044	5.4
161.09599	3.1
163.07535	1.6
165.07025	2.1
165.09207	1.9
167.07115	2.4
167.08562	2.5
168.07416	2.0
169.10126	2.8
171.07994	2.1
171.11789	3.0
173.09651	4.8
175.07539	4.8
175.11217	1.7
181.06519	1.6
182.15324	1.8
183.08040	2.6
185.05940	2.6
185.09639	3.0
191.06946	2.8
193.10234	2.1
195.11552	2.1
197.09628	2.5
201.09137	3.1
203.10750	2.4
207.11821	3.3
209.09557	2.5
209.13084	1.7
211.11343	2.5
215.10695	3.5
221.09688	3.6
223.11185	3.1
224.11795	2.4
225.12610	2.0
227.10623	1.9
229.12311	1.5
233.09729	1.8
234.10431	3.8
235.11211	3.3
235.14809	1.5
237.09142	2.8
237.12691	2.1
249.09079	1.9
251.10725	3.3
252.11491	3.7
261.12897	2.4
262.09943	5.0
263.10654	4.1
277.15878	1.5
279.13614	2.7
280.11005	7.1
281.11432	3.1
301.06863	2.6
307.13416	4.3
329.15085	2.3
363.19333	1.8
367.64523	1.6
371.16312	2.8
385.16431	5.8
389.17426	5.2
399.15753	3.8
403.17529	4.4
407.18491	3.0
417.16934	70.2
418.17252	6.0
433.19751	3.4
435.17450	9.1
437.22974	3.7
441.22516	4.6
453.18768	19.1
454.19443	2.9
455.24289	4.4
459.17590	2.2
469.25909	1.9
471.20291	9.1
477.19098	6.7
485.25146	2.2
489.21063	5.7
495.19284	15.2
513.24622	6.0
531.26532	8.7
566.20746	3.5
566.29541	3.0
567.23041	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
65.94160	2.6
69.91233	12.8
79.05510	5.1
81.07049	16.8
83.04976	3.9
86.09721	4.2
88.04620	2.7
91.05501	3.0
93.07099	5.2
95.08604	8.5
96.31853	2.8
100.96377	2.7
105.07052	3.7
107.08573	7.2
108.57616	3.0
109.06525	6.1
137.06013	20.7
151.11177	3.4
159.08076	3.1
159.11644	3.0
184.07349	10.8
279.43991	3.1
317.08463	8.6
323.25742	4.2
419.18439	7.5
474.54559	3.1
495.20297	4.5
500.40765	3.0
530.18402	3.0
549.24438	3.3
550.23132	7.2
566.22089	49.7
567.23596	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.8
57.07068	3.3
67.05517	4.1
69.02183	23.9
69.03426	9.7
69.07067	4.9
71.04993	13.5
71.57400	2.1
79.05482	4.3
81.07053	16.6
83.04964	2.8
83.08627	2.9
85.02892	7.5
86.09697	7.0
91.05474	5.8
93.07037	12.8
95.04955	3.2
95.08627	8.2
97.02864	5.0
97.06554	4.7
97.10188	2.5
99.08131	2.4
100.11190	2.8
104.10746	7.5
105.07027	9.7
105.92963	2.3
107.08588	11.5
109.06526	9.9
109.10165	7.7
109.16683	2.4
111.08077	3.5
119.08569	6.1
121.10154	5.9
123.04444	4.5
123.11713	6.2
125.09614	2.4
127.03918	2.9
127.11162	14.2
131.08563	3.2
131.14723	2.6
133.10123	12.6
134.06015	4.7
135.11713	4.6
137.06010	8.3
143.10638	2.7
145.04887	2.6
145.10127	5.7
147.11670	3.6
151.11174	16.4
155.10657	6.3
155.84909	2.5
173.13356	3.3
177.16444	4.0
184.07355	14.0
189.09200	3.5
191.03415	8.5
194.45505	2.8
201.16458	5.8
219.17477	7.3
237.18480	63.3
255.19611	8.8
286.68735	2.4
343.07977	3.9
351.25439	3.0
398.16779	5.3
437.19714	9.5
548.31921	5.6
566.24292	100.0
566.32782	8.5
567.23950	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.8
71.31382	1.6
87.95858	1.5
95.04971	1.9
103.05466	43.9
105.03442	2.2
131.04932	46.8
132.05281	2.2
152.11624	1.7
158.03044	1.9
186.98682	1.5
227.06967	2.4
239.07027	2.5
242.05765	1.7
243.06470	2.1
255.06396	3.4
257.07901	2.5
257.12143	1.9
267.06552	3.4
269.08121	4.0
270.08926	2.0
271.06113	2.1
279.10165	4.9
280.10864	2.5
281.08026	4.2
282.08862	5.0
286.08414	1.9
291.10156	2.9
292.10873	2.6
293.11719	1.7
294.12534	2.7
295.13321	6.9
296.10422	4.7
298.08334	3.4
299.08920	4.2
301.10855	3.4
302.07922	2.5
303.08740	4.1
307.09576	3.5
307.13171	2.5
309.11295	2.0
309.14853	5.3
313.10757	6.8
314.11234	4.1
317.10101	8.2
318.11029	10.7
321.11066	1.8
322.12241	2.4
323.12805	12.8
324.13422	3.2
326.15143	2.0
327.12378	5.4
328.13028	6.4
330.11130	2.5
331.11765	5.4
332.12610	11.7
333.13342	3.9
337.14285	21.0
338.14798	8.6
339.12231	6.8
339.15994	3.8
340.12921	2.6
341.17496	5.6
345.13425	8.9
352.16751	2.0
354.14670	2.9
355.15454	12.1
359.14996	8.2
369.16971	29.8
370.17651	24.9
371.14502	3.0
386.17169	4.6
401.19601	100.0
402.19907	6.3
531.23883	5.4
566.28278	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14102	1.4
61.09112	1.2
69.07049	1.3
69.46690	8.9
69.78403	1.3
75.60826	1.3
81.07058	1.6
99.11795	1.4
99.65500	1.7
119.20702	1.4
132.06866	1.5
196.79442	1.7
211.07460	1.6
255.06573	1.8
256.07211	3.2
257.07883	2.2
263.10501	2.5
265.08487	1.4
265.12082	1.7
268.10641	1.6
269.08096	1.8
279.13736	1.7
280.10699	2.0
282.08997	1.5
284.06799	3.5
285.07571	4.9
287.09348	1.7
291.09976	1.9
295.13239	2.0
297.07556	1.8
298.08127	1.8
299.09125	8.7
300.06140	3.7
300.09558	2.9
306.12521	2.3
307.09537	1.7
307.13275	3.5
312.06577	1.7
312.09753	7.5
313.10565	3.0
315.08484	6.8
316.09290	5.7
322.11990	4.3
323.12769	6.5
326.11432	9.6
327.08521	1.7
328.09201	2.6
329.10168	2.7
330.10965	23.3
331.11664	4.5
337.14194	11.4
338.14978	5.5
339.12170	2.6
341.17456	2.0
343.11719	5.1
353.13733	9.1
354.14389	2.3
357.13388	6.9
368.16168	28.1
369.17020	21.9
399.18005	100.0
400.18362	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02596	1.1
53.03943	2.0
55.05516	4.0
58.07446	1.2
62.28185	1.0
67.05506	5.4
68.92793	1.1
69.03596	11.8
69.07082	2.3
70.12700	1.0
77.99281	1.1
78.83819	1.1
79.05495	8.0
81.07059	17.1
83.05010	3.8
83.08641	1.3
84.41416	1.0
91.05474	12.4
93.07049	10.9
95.04966	6.4
95.08614	6.5
97.02912	6.4
97.06526	6.7
98.22630	2.5
98.73284	1.2
99.04473	4.5
105.07024	13.6
107.04967	4.3
107.08611	8.9
109.06516	9.6
109.10142	1.3
111.04464	3.5
111.08093	10.6
114.26064	1.3
115.05482	1.6
117.07019	7.9
119.08595	9.3
121.06506	8.5
121.10140	4.6
121.69118	1.1
123.04446	4.8
123.08078	7.5
125.06022	4.7
125.09725	1.3
127.03899	1.5
129.07011	4.5
131.08568	9.1
133.06473	3.3
133.10168	6.6
135.08087	7.2
137.05978	26.7
139.07552	9.9
141.07039	1.6
142.07806	2.9
143.08588	8.2
145.06488	7.7
145.10112	10.5
147.08046	7.6
147.11705	5.1
149.05980	7.3
149.09641	4.2
151.07567	2.9
155.08594	4.7
156.09334	3.3
157.10065	6.1
158.07310	1.3
159.08067	5.2
159.11708	4.2
160.94666	1.2
161.06010	1.8
161.09616	5.0
161.13298	2.5
163.07535	12.0
163.11105	2.6
165.09119	1.3
166.07799	1.2
167.07047	50.4
167.08499	3.0
168.07329	1.4
169.08719	1.8
169.10152	6.8
171.08046	2.4
171.11713	10.9
173.06149	1.3
173.09651	6.8
173.13322	3.7
175.07588	2.8
175.11227	4.1
177.09135	4.0
179.08455	1.2
181.10149	1.8
183.11693	4.2
185.09625	4.9
185.13318	3.3
187.07584	1.6
187.11150	5.8
187.14890	2.4
189.09270	1.9
189.12709	8.9
195.11690	2.7
197.09662	2.9
197.13277	3.3
199.11223	2.6
201.09149	4.3
201.12727	1.5
203.10703	3.6
207.10007	1.8
207.11800	2.0
209.13324	2.4
211.11218	2.7
213.09146	1.3
213.12732	2.0
215.10750	6.7
215.14301	2.8
217.12230	1.9
219.10052	1.7
225.12744	2.4
227.10721	2.7
227.14403	3.0
229.12279	4.0
230.16724	1.6
231.13866	3.2
233.11581	1.6
255.13866	3.2
257.15460	2.5
265.10712	48.7
266.10999	2.1
269.15378	1.7
313.18115	1.5
339.16211	1.7
351.19592	1.8
359.18652	2.1
361.18121	2.2
379.19019	2.8
387.22015	1.3
397.19861	6.8
405.22800	3.3
406.23611	1.3
441.20911	1.4
451.24796	5.2
453.22760	2.9
459.21625	1.4
469.25876	89.1
470.26215	10.0
477.22876	8.0
495.23792	88.5
496.24304	8.4
513.24860	100.0
514.25305	9.7
531.25610	2.3
566.29388	5.1
567.21948	37.3
567.30566	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.05509	1.7
58.85728	0.4
59.05980	0.4
67.05511	3.0
68.99769	0.4
69.03523	3.5
69.03968	1.2
69.07069	1.2
71.04996	0.5
72.37985	0.5
79.05502	4.1
81.03415	0.6
81.07061	7.3
83.04980	3.1
91.05476	6.5
93.07041	7.9
95.04984	3.1
95.08588	3.4
97.02888	2.8
97.06528	3.1
99.04456	2.3
105.07034	6.0
107.04970	1.5
107.08581	3.8
109.06515	4.7
109.10181	1.0
111.04456	1.9
111.08073	5.0
113.06016	0.8
115.05462	1.2
117.07036	4.6
119.04924	1.1
119.08580	7.5
121.06508	5.3
121.10149	2.0
123.04424	2.0
123.08093	2.6
124.05193	0.5
125.05994	2.5
128.06209	1.1
129.07014	4.4
130.07794	0.5
131.04970	0.5
131.08566	5.8
133.06529	1.1
133.10159	3.3
135.08022	2.1
135.11673	0.9
137.05975	9.5
137.09618	0.8
139.07547	6.9
141.07007	1.6
142.07771	3.7
143.08557	5.4
143.35907	0.5
145.06456	4.2
145.10106	5.7
147.08051	4.6
147.11664	2.7
149.05998	4.5
149.09630	1.6
150.06801	0.5
151.07545	0.6
153.07050	0.6
154.07747	0.7
155.08527	2.4
156.09352	1.7
157.06503	0.6
157.10124	11.8
159.08070	3.1
159.11647	3.3
161.09633	2.5
161.13297	1.0
163.07571	4.6
163.11197	1.3
167.07042	26.1
168.07408	1.0
168.09428	0.6
169.08694	1.0
169.10100	7.3
170.10884	0.8
171.08064	0.5
171.11690	4.5
172.08868	0.5
173.09637	2.5
173.13283	1.8
174.10316	0.5
175.07587	1.2
175.11191	12.9
176.11542	0.5
177.09029	1.1
177.12885	0.6
179.08525	0.8
181.10188	1.3
183.08121	0.6
183.11674	3.4
185.09627	1.3
185.13326	1.2
187.07585	0.8
187.11211	2.9
187.14821	0.7
189.09131	1.0
189.12799	3.3
189.16383	0.5
191.07066	1.1
191.10826	0.5
193.10182	1.0
195.11719	1.2
197.09584	1.3
197.13264	2.2
198.14084	1.6
199.11229	1.4
199.14835	1.4
200.15573	0.5
201.09177	1.0
201.12845	1.0
203.10750	0.6
207.10066	0.7
207.11794	0.6
209.13251	1.0
211.11339	0.8
211.14877	1.2
213.12701	1.0
213.16292	0.5
213.79523	0.5
215.10699	0.6
215.14294	1.4
216.15108	0.5
217.15869	0.7
219.10123	0.9
221.13358	0.7
223.11501	0.6
223.14885	0.5
227.14342	1.1
229.12331	0.9
229.15947	1.0
231.03526	0.4
232.12476	0.5
235.14795	0.7
247.09723	1.2
249.12970	0.6
251.14378	0.5
253.59030	0.5
265.10699	28.6
266.11041	1.1
267.17273	0.6
293.18875	0.5
311.19901	0.8
321.18518	0.7
327.58646	0.5
329.21207	1.0
339.19696	1.3
369.20697	0.6
397.20303	0.6
405.22745	4.0
419.22153	0.7
437.23352	6.1
451.24857	1.1
455.24271	100.0
456.24655	10.5
457.25858	1.7
467.24353	4.7
469.25839	16.6
470.26379	1.8
477.22552	0.7
485.25333	22.6
486.25452	2.3
487.26746	0.7
495.23758	11.0
496.23804	1.4
513.24646	2.8
514.25024	0.6
531.25836	6.9
532.26160	1.0
539.22638	1.0
566.29382	2.2
567.22003	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08723	2.5
51.02388	2.3
53.03974	2.2
54.59687	2.2
55.01894	2.2
55.05523	5.0
67.05514	10.3
69.03429	13.0
69.07072	3.7
70.16090	5.9
70.16479	4.4
71.04993	3.8
79.05495	14.8
80.06272	3.5
81.07058	29.2
83.05007	4.4
91.05483	22.4
93.07047	15.0
95.04968	29.3
95.08613	19.4
97.02894	18.5
97.06544	2.9
97.58743	2.7
99.04472	14.4
105.07040	18.2
107.08604	16.5
109.06517	27.4
109.10165	11.2
111.08127	4.3
117.07024	9.6
119.08582	24.9
121.06530	7.5
121.10160	9.6
123.08067	6.0
128.06256	5.0
129.07016	11.6
131.08556	20.3
133.06462	2.8
133.10114	12.8
135.08072	11.0
137.05975	26.9
137.09627	6.1
139.07579	8.6
141.07040	4.9
142.07779	6.9
143.08586	17.9
144.05655	2.5
145.06470	4.3
145.10129	18.0
147.08054	15.8
147.11703	6.8
149.05988	4.7
149.09641	8.7
155.08606	10.8
157.06564	3.2
157.10124	20.6
159.08029	12.7
159.11723	9.5
161.09653	11.4
163.07562	5.1
163.11154	3.0
167.08519	3.4
169.10136	14.8
171.08046	5.2
171.11711	7.0
173.09627	14.5
173.13266	3.3
175.11165	15.1
177.12798	3.9
181.10126	9.3
183.08095	2.8
183.11659	5.6
185.09703	7.6
185.13278	4.9
187.07518	3.4
187.11235	9.4
189.12752	4.9
191.10687	3.6
192.09322	2.8
193.08539	3.8
193.10204	6.8
195.11684	11.2
197.09645	5.4
197.13188	4.4
199.11179	5.7
201.12750	3.7
205.08565	3.7
205.12198	3.2
209.09608	4.0
209.13232	4.4
211.11203	4.9
211.14867	4.2
213.12712	4.5
215.10670	3.4
221.13329	4.2
223.11330	5.3
223.14787	4.4
225.12756	6.0
229.12325	4.0
235.14795	5.7
237.16417	6.1
238.81548	2.6
239.14323	4.0
241.12257	2.9
247.09706	6.4
251.14374	5.4
253.15852	6.3
263.14328	2.8
265.15921	6.4
281.15472	4.6
281.18906	3.2
283.20770	4.0
293.15347	3.5
293.18848	4.6
303.17413	3.8
311.20078	7.9
321.18719	3.6
323.20114	3.0
339.19293	5.4
351.19705	4.0
359.18524	2.6
398.22144	2.7
409.23648	13.5
419.22281	5.2
427.24814	35.1
428.24475	2.7
437.23251	100.0
438.23758	5.7
439.24896	6.8
441.26282	8.9
449.23340	10.7
451.24747	10.0
453.22604	4.8
455.24292	70.5
456.24396	4.6
457.25711	7.2
459.21689	4.1
467.24231	52.1
467.39630	2.7
468.24753	4.2
469.25925	10.7
471.23865	3.6
477.22498	6.0
485.25290	31.7
486.25449	3.2
487.27133	3.9
495.23669	12.4
513.24908	15.1
531.25659	12.1
566.29358	3.6
567.21985	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.1
55.05504	3.0
58.41146	1.0
63.11273	1.0
65.03933	1.9
67.05501	4.3
69.03429	7.5
69.07071	2.4
69.20993	2.0
69.21386	7.6
71.05002	2.0
79.05500	7.2
80.70551	1.0
81.07056	14.2
83.04988	9.1
83.08598	1.5
90.91590	0.9
91.05476	12.2
93.07039	9.7
94.77242	0.9
95.04974	11.0
95.08600	5.1
97.02902	4.8
97.06506	5.5
99.04461	4.4
101.19447	1.0
105.07018	11.5
107.04929	1.8
107.08591	8.2
109.06525	11.6
109.10172	2.3
111.04438	2.5
111.08084	5.8
115.03921	1.3
115.05455	2.9
117.07012	7.2
119.08587	12.7
121.06515	9.4
121.10166	3.5
123.04433	4.5
123.08070	7.4
125.06021	4.1
125.09662	1.3
128.06255	2.5
129.06995	6.2
130.07773	1.1
131.08566	10.9
131.16658	1.1
133.06494	2.2
133.10147	5.0
135.08040	6.6
135.11671	1.1
137.05972	16.7
137.09541	1.6
139.07555	9.7
141.06946	3.3
142.07770	2.3
143.08563	9.6
145.06471	11.3
145.10139	11.0
147.08063	13.3
147.11688	3.6
149.05965	3.4
149.09639	4.3
151.07521	3.0
155.08548	15.4
156.09322	3.8
157.06516	1.6
157.10146	8.4
158.07304	1.3
159.08043	6.8
159.11667	5.3
161.05936	1.9
161.09627	18.2
161.13309	2.9
163.07552	9.2
163.11172	1.8
165.09056	2.7
167.07059	25.0
167.08516	2.5
169.08693	2.3
169.10129	8.2
171.08070	3.5
171.11729	9.6
173.05965	3.2
173.09592	15.0
173.13278	2.4
175.07483	2.6
175.11191	5.4
177.09129	3.4
179.08549	2.4
181.10129	2.8
183.08121	1.4
183.11707	3.0
185.09534	4.9
185.13287	4.0
187.07513	1.7
187.11182	8.0
189.09096	2.0
189.12737	7.9
191.10686	1.4
193.08533	2.1
193.10175	2.0
195.11740	4.5
197.09637	3.9
197.13289	3.0
199.11217	3.7
199.14867	1.8
201.08963	1.3
201.12741	2.6
202.13362	1.2
203.10571	2.5
203.14185	1.6
206.11040	1.5
207.09949	1.2
207.11757	2.5
209.13316	3.8
211.11209	3.3
211.14832	2.1
213.09102	2.3
213.12749	3.6
214.13478	1.4
215.10725	6.2
215.14156	1.9
219.11884	1.1
221.13193	3.0
223.11206	1.7
223.14807	1.0
225.12753	2.9
227.10728	2.2
227.14273	5.8
229.12276	3.6
235.11279	1.8
235.43254	1.1
237.12819	2.2
239.14301	2.0
241.12183	1.8
243.13811	1.3
249.12631	2.0
251.14226	1.9
253.12386	1.4
255.13811	1.9
257.15488	1.3
265.10669	25.2
267.13937	1.6
269.15372	2.4
309.18539	1.2
319.17075	1.2
327.19724	1.5
339.15839	1.6
343.15005	2.3
369.20966	1.6
379.18906	1.4
387.21686	3.4
397.20016	2.2
405.22775	4.9
417.20334	1.4
423.21082	1.2
433.23370	1.8
435.21558	10.0
441.22800	9.8
451.25049	6.6
453.22714	100.0
454.23047	7.6
459.21622	2.3
467.24292	2.3
469.25891	40.5
470.26224	3.6
471.23633	13.7
477.22632	8.1
485.25336	4.3
487.27124	15.1
495.23758	42.7
496.24017	3.2
513.24799	52.9
514.25201	4.4
531.25787	9.6
549.20776	4.2
566.29370	4.6
567.21954	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01872	3.0
55.05500	5.0
55.31353	2.7
55.61591	2.2
63.14838	2.2
67.05492	2.9
69.03423	7.9
69.07075	4.4
69.09711	23.8
73.02933	4.0
76.69473	2.7
79.05499	9.7
81.03390	2.4
81.07083	13.6
83.01329	2.4
83.04978	4.7
83.08649	3.2
86.09704	5.1
91.05451	8.2
93.07049	13.3
93.07581	2.4
95.04997	5.6
95.08622	9.0
97.02885	6.9
97.06531	6.8
99.04424	3.0
105.07038	14.0
107.08601	10.0
109.06513	19.9
109.10142	3.2
111.08084	3.1
117.07032	2.8
119.08569	11.6
121.06535	6.2
121.10132	11.3
123.04417	2.7
123.08060	9.1
125.06009	6.7
127.03910	3.4
128.06279	3.1
129.06970	3.2
131.08540	9.2
133.06477	4.4
133.10130	7.4
135.08078	8.7
137.05981	13.3
139.07521	5.6
141.06958	5.3
143.08614	12.6
145.10159	12.7
147.08025	5.8
147.11649	5.2
154.07742	3.1
155.08549	7.7
156.09312	3.7
157.06483	2.9
157.08873	2.5
157.10136	10.1
159.08029	6.3
159.11713	5.6
161.09657	6.2
163.11212	2.8
165.09120	3.4
167.07104	3.0
167.08522	5.9
169.10095	7.8
171.07976	3.0
171.11687	8.4
173.09657	7.8
173.13333	2.6
175.11223	5.9
177.16350	5.8
181.10114	7.0
183.08055	4.2
183.11661	3.8
184.07312	7.3
185.09561	6.2
185.13261	4.1
187.11185	7.0
189.09135	8.0
189.12830	3.6
193.10201	7.1
195.08231	2.6
195.11748	6.8
197.09613	3.2
199.11116	4.7
201.12750	2.9
203.10590	3.9
205.10197	3.5
207.11688	6.7
208.10880	4.9
209.09837	3.1
209.13351	5.7
211.14801	4.6
213.12888	3.1
219.11644	3.2
219.17413	5.5
221.13284	6.1
222.13925	2.6
223.11162	5.5
223.14775	3.9
227.10591	2.9
227.14372	3.8
233.13281	5.2
235.14903	5.1
237.18486	8.1
242.16760	2.8
251.14305	4.8
253.15988	2.7
255.19586	10.0
261.16541	3.5
263.14325	7.4
265.16028	6.1
265.19376	3.9
279.17664	3.7
281.18900	4.1
291.17355	4.2
293.19012	7.5
311.19980	11.4
325.17865	3.6
353.21082	3.8
371.21960	4.8
407.22156	12.4
419.22018	3.1
423.17892	5.2
425.23480	13.3
435.21994	3.5
437.23080	8.7
441.18948	7.9
443.24634	4.0
451.24783	4.7
453.22498	8.5
455.24612	2.9
467.23724	4.3
469.25681	8.8
471.23831	55.5
485.24893	4.0
487.26563	10.0
489.24786	100.0
490.25198	3.9
494.39230	2.9
495.23447	9.2
501.24921	4.7
503.68561	3.1
505.27576	8.0
507.26062	3.5
513.25208	21.4
522.30444	3.2
530.24548	4.4
531.26068	22.0
567.21875	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45643	0.6
55.01855	0.9
55.05518	1.0
64.52288	0.5
67.05500	2.3
69.03421	2.0
69.07059	1.1
71.05000	1.3
71.30080	0.7
79.05483	4.1
81.07048	5.4
83.04969	1.7
83.08562	0.6
85.02907	2.3
91.05479	4.4
93.07031	3.9
95.04969	4.1
95.08602	3.1
97.02897	3.1
97.06538	1.9
99.04456	1.6
99.08131	0.6
105.07040	6.0
105.57007	0.6
107.04939	0.9
107.08598	5.0
109.06515	16.1
109.10149	1.8
111.04462	2.0
111.08071	2.5
115.03895	0.8
115.05418	0.8
117.06997	2.9
119.08576	4.5
121.06516	2.8
121.10143	2.2
123.04472	0.7
123.08113	2.9
123.11741	0.7
125.05943	1.0
125.09617	1.2
127.03918	0.8
129.06979	0.9
131.08549	3.3
133.06497	1.7
133.10124	3.2
135.08044	5.4
135.11652	0.9
137.05963	5.6
137.09650	2.1
139.11227	0.7
141.06963	0.7
143.08568	2.2
143.10689	0.7
145.06497	9.3
145.10126	3.6
146.07121	0.6
147.04398	0.8
147.08031	7.5
147.11749	0.6
147.38829	0.6
149.05980	0.8
149.09637	1.1
155.07097	0.6
155.08521	1.2
157.10138	2.9
159.08089	2.6
159.11736	2.2
161.06009	1.1
161.09631	4.9
161.13257	0.9
163.07533	9.6
165.09180	0.7
167.07054	1.1
169.10172	1.3
171.08073	0.7
171.11725	1.9
173.05980	2.6
173.09578	3.6
173.13174	1.1
175.07529	1.8
175.11172	2.4
177.09016	1.1
181.10040	1.1
183.11713	1.1
184.07326	1.5
185.09596	1.1
187.11128	3.5
187.14842	1.0
189.09146	1.2
189.12778	1.3
191.07030	9.3
191.14355	1.3
195.11751	1.3
197.13271	1.6
198.10330	0.9
199.11128	1.1
201.09070	0.9
201.12770	1.0
201.16370	1.3
201.28758	0.6
203.10669	1.0
205.08636	0.7
207.10156	1.6
207.11844	1.4
209.08060	4.4
209.13362	0.9
211.11154	1.1
213.12741	2.2
214.13528	1.9
215.14311	5.1
219.17453	1.9
223.11192	0.7
225.12794	0.7
227.10774	0.9
227.14429	0.7
229.12236	1.1
231.13855	0.7
233.15321	6.3
251.14299	1.1
267.11838	0.7
279.07559	0.7
279.17267	0.7
287.20639	0.6
295.10794	0.9
305.15521	0.8
315.09253	0.9
325.18152	0.6
341.11172	1.0
345.17139	1.9
368.10138	1.6
369.10681	3.4
400.12686	1.1
405.20572	1.7
423.21579	9.6
424.21771	1.0
435.21747	0.9
441.22705	100.0
442.23138	8.7
453.22903	4.6
459.27328	3.7
465.22635	1.0
471.23764	12.1
472.23978	0.8
483.23709	1.8
484.24240	0.7
495.24316	1.3
501.24396	1.3
513.24988	12.3
514.25488	1.6
531.26080	5.2
548.28943	1.1
566.21936	0.9
566.29950	2.8
567.24115	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.0
67.05490	9.2
69.03445	3.8
69.07072	6.6
71.30408	4.5
75.04475	2.6
79.05504	14.0
81.07056	17.5
83.04986	36.5
86.09681	3.9
89.22393	2.5
91.05489	31.3
93.07065	14.1
95.04971	9.7
95.08615	11.5
97.02899	14.0
99.04435	7.9
105.03461	3.8
105.07049	14.4
107.08591	19.5
109.06525	12.1
109.10184	4.8
111.04459	10.4
115.05450	12.5
117.07014	33.0
119.08591	28.8
121.06492	8.2
121.10179	3.2
121.44205	2.7
128.06268	3.7
129.06992	5.2
131.08578	8.6
132.05692	2.7
133.10130	15.3
135.08055	17.8
137.06018	15.1
141.07040	3.0
143.08574	14.1
145.06490	85.7
145.10126	11.1
147.08073	39.9
147.11650	3.7
148.08488	3.4
151.03923	3.2
151.07600	3.0
155.08586	4.4
157.10155	12.3
159.07999	3.4
159.11739	7.8
161.09651	11.6
163.07547	44.8
167.08534	4.0
169.10187	10.4
171.08073	4.9
171.11707	10.4
173.06009	14.0
173.09587	3.6
173.13232	5.1
175.11115	3.3
175.14905	4.6
177.09035	3.2
178.07822	3.0
179.08682	3.9
181.10135	2.8
183.11700	10.1
185.09523	4.5
185.13252	3.3
187.11116	4.6
189.09129	3.7
191.07056	24.0
193.10109	8.0
195.11804	3.7
197.09593	5.2
199.11179	3.6
199.14865	8.0
201.12848	2.8
207.10052	3.4
207.11757	4.4
208.12700	3.1
209.08054	26.4
209.09598	3.1
209.13242	5.3
210.14215	3.3
211.11211	4.1
211.14818	3.7
221.13312	6.4
223.11182	3.1
223.14885	4.7
225.12717	4.4
227.09082	3.5
227.14256	9.1
233.13171	4.3
235.15013	3.4
239.17973	4.1
241.08543	4.4
245.12964	4.1
245.15396	52.0
253.15848	3.0
255.06177	2.8
262.09903	2.9
268.07480	3.1
269.08249	3.2
278.09372	4.0
279.13791	3.5
281.19098	3.7
283.15652	3.0
293.11584	3.4
295.09677	3.9
297.07645	4.8
297.11127	4.3
297.14871	5.4
299.09100	7.1
309.18448	3.8
310.12036	3.5
311.12842	3.2
312.09933	12.8
312.13223	3.5
313.10648	4.1
325.10760	5.0
325.17889	4.3
326.11127	2.9
327.08762	4.6
327.19653	10.1
328.13074	3.4
329.10303	3.5
340.09509	3.7
340.12997	19.4
341.10129	3.7
341.13861	5.2
342.10892	7.7
343.11765	14.8
345.20648	3.3
351.12262	7.8
355.19235	6.3
356.12485	5.4
366.14612	17.7
367.15277	10.4
371.14871	35.0
373.12845	5.7
373.20563	4.8
379.26416	4.8
384.15735	3.4
385.16495	18.3
389.21115	7.1
397.16397	18.2
405.22437	4.1
407.25891	12.8
415.17526	38.4
417.20535	5.0
425.27188	3.5
435.21573	12.5
453.22858	18.8
469.20483	6.4
471.23849	32.5
481.22006	10.0
499.22995	17.1
513.24829	4.5
514.19147	3.4
517.24335	32.1
531.25946	100.0
532.26416	6.8
549.26813	31.1
566.29633	6.0
567.13776	3.9
567.27637	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.0
67.05502	4.1
69.03429	6.9
69.07086	2.1
71.04992	6.5
75.87402	1.6
79.05506	6.3
81.03413	2.3
81.07052	19.2
83.04983	2.9
85.02914	7.0
86.09749	1.6
91.05474	10.3
93.07043	7.5
95.04977	14.2
95.05511	2.4
95.08619	7.4
97.02909	6.4
97.06542	4.0
99.04471	11.0
105.07040	10.5
107.04928	3.4
107.08580	5.0
109.02811	1.6
109.06524	21.9
109.10164	2.0
111.04485	3.0
114.09196	1.4
115.03929	1.7
115.05513	2.8
117.07027	5.0
119.08577	13.2
121.06493	8.8
121.10165	4.8
122.07243	1.7
123.04459	1.6
123.08074	11.8
125.05993	2.3
127.03918	3.4
128.06197	2.1
129.07005	6.7
130.07709	2.0
131.08568	9.3
133.06508	3.9
133.10115	6.9
135.08099	7.8
137.05983	22.0
139.03893	2.7
139.07527	1.9
141.07008	3.2
142.07733	2.6
143.08595	10.5
145.06497	5.4
145.10126	8.2
147.08063	9.6
147.11668	3.9
149.06015	1.8
149.09621	4.0
149.13358	1.5
151.07582	1.4
153.05479	3.4
155.08521	9.9
156.09311	2.9
157.06508	2.5
157.10127	10.4
159.08063	11.3
159.11728	6.7
161.06013	1.6
161.09601	10.2
163.07544	2.4
165.05516	2.2
165.06943	2.4
166.36732	1.6
167.07074	3.1
167.08585	4.6
168.09389	2.5
169.10127	13.2
170.10803	1.6
171.08069	4.1
171.11699	10.8
173.09651	7.7
173.13293	5.8
175.07504	2.3
175.11147	3.4
179.08559	4.5
180.09207	1.7
181.10054	8.1
182.10852	2.0
183.08098	3.9
183.11653	7.4
185.09634	4.6
185.13269	5.8
187.07556	2.7
187.11203	6.3
189.09140	2.5
193.10164	6.8
194.10941	2.4
195.08084	2.4
195.11703	9.5
197.09618	3.7
197.13264	7.2
199.07486	1.7
199.11224	5.3
199.14943	2.3
201.12694	2.6
203.10742	2.1
205.08470	2.1
205.10208	3.5
206.10832	2.3
207.10103	5.0
207.11774	7.1
208.12315	2.3
209.09718	2.2
209.13326	8.4
211.11217	5.7
211.14777	4.4
212.11887	1.5
213.12788	6.6
215.10660	2.4
215.14235	2.7
217.08463	1.7
217.10204	2.3
220.12273	2.3
221.09785	2.3
221.13260	6.1
223.11137	3.4
223.14809	6.9
224.15425	1.8
225.12683	4.7
225.16377	1.9
227.14336	3.0
228.15050	2.1
231.11729	2.9
232.12363	2.3
233.13376	3.5
235.11073	2.8
235.14873	6.4
236.11865	1.7
237.12799	2.8
237.16409	3.0
239.14346	3.4
240.15175	4.8
241.12109	1.6
241.15945	2.0
247.14835	2.6
249.12845	3.2
249.16415	3.4
251.14317	8.6
252.14865	2.1
253.15869	4.9
256.49942	1.5
258.14114	1.8
259.14758	2.6
261.12769	1.8
263.09064	3.6
263.14420	4.0
263.17929	3.2
264.14954	2.0
265.15875	4.0
267.13895	2.0
275.14435	1.9
275.18344	1.7
277.15900	3.3
277.19302	1.6
279.13821	2.6
279.17303	3.1
281.15869	2.5
281.18787	10.1
287.05469	6.2
288.05832	11.7
289.16223	1.8
291.17316	3.5
293.15463	3.4
293.18982	8.5
305.18961	2.4
309.18643	3.7
311.16547	2.6
311.20056	11.7
312.20383	2.6
321.18539	2.3
323.20255	2.4
333.18344	2.5
339.19473	3.2
346.41492	1.8
351.19547	2.5
357.20868	2.5
384.08301	2.0
385.20441	2.2
386.18103	1.6
387.21671	34.0
388.21915	2.7
389.21057	3.1
407.22284	25.1
408.22632	2.9
409.23502	5.1
419.22284	11.9
421.23740	5.3
425.23218	100.0
426.23413	7.5
427.24539	3.6
431.22128	2.4
435.17886	3.7
437.23224	66.8
438.23633	9.0
439.24600	5.4
447.21503	4.4
449.23178	16.2
450.23407	1.8
451.24796	1.6
453.18936	5.8
455.25186	8.5
459.21518	1.9
465.22742	13.8
467.18372	2.4
467.24371	26.1
468.24515	2.7
471.20139	1.9
477.22647	3.3
483.23767	16.6
495.23914	3.1
501.24899	32.9
502.25110	2.1
513.25427	17.2
514.25256	2.3
531.25739	4.5
566.23236	3.3
567.24066	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.01876	5.3
55.05515	8.9
56.79292	2.4
57.03430	11.8
57.07096	2.5
59.61387	2.0
61.02923	4.7
67.05503	9.7
69.03440	16.5
69.07072	9.6
69.39916	2.9
69.40306	14.5
71.04990	34.7
72.05240	2.0
73.02905	11.5
78.06670	2.1
79.05493	10.9
80.49638	1.9
81.03442	2.8
81.07056	36.6
83.04993	3.5
83.08620	6.3
85.02911	38.5
85.06559	4.3
87.04493	3.5
87.24877	2.4
91.05464	18.8
93.07049	20.4
95.04968	3.1
95.08614	30.9
97.02893	21.8
97.06542	5.7
97.10191	4.3
99.08089	8.0
103.03966	2.0
105.07033	48.1
105.07673	4.0
107.08592	26.3
109.10162	21.3
111.08071	3.6
115.03937	10.2
117.07030	6.9
119.08575	22.4
121.10158	22.3
123.08095	2.7
123.11696	7.0
125.09625	34.6
127.03928	13.0
127.07561	6.2
127.11189	9.8
131.08556	12.0
133.04965	14.6
133.10127	86.3
134.10483	2.5
135.11749	4.8
137.06020	2.4
143.10670	69.1
145.04906	11.1
145.10133	19.3
147.11682	28.5
149.13274	21.2
151.11192	6.3
159.11728	16.0
161.13297	13.6
163.06042	7.8
163.11169	4.8
167.14328	70.3
167.15744	4.3
169.12248	3.8
173.13254	3.8
175.14868	3.5
177.16493	2.4
191.17856	2.8
201.16406	29.9
219.17441	100.0
220.17867	4.6
237.18443	18.3
241.07063	2.6
259.08139	4.2
284.80252	2.7
287.05536	9.5
288.05844	11.2
354.06970	2.3
369.10712	5.0
389.37372	2.5
392.08932	2.5
534.18091	3.1
582.55688	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.5
55.01868	8.2
55.05515	29.3
57.03432	16.6
57.07075	6.8
61.02938	7.3
63.65872	4.4
67.05502	33.5
69.03438	38.1
69.07070	17.4
70.91151	11.9
71.05007	9.8
73.02925	24.1
79.05495	35.7
81.07061	79.1
83.04986	48.3
83.08618	8.9
85.02894	53.0
91.05468	46.5
92.21822	4.3
93.07043	97.2
95.04971	26.6
95.08610	75.2
97.02904	31.3
97.06539	11.4
97.10162	4.3
102.33063	5.4
105.07034	78.6
107.08594	100.0
109.06545	13.7
109.10165	44.0
111.08087	6.5
115.03917	17.2
115.05431	4.9
117.07031	12.9
119.08570	69.6
120.24578	4.7
121.10156	65.9
123.11739	13.3
125.09653	13.5
127.03931	14.6
127.78013	4.9
129.07040	9.2
130.07805	7.4
131.08582	32.5
133.04965	17.9
133.10136	40.0
135.11707	21.0
137.13182	7.3
139.11145	5.6
143.10706	7.9
145.04990	11.1
145.10129	95.7
147.04428	10.8
147.11717	21.4
149.09518	5.0
149.13271	12.5
150.28864	4.6
151.11180	10.2
157.10136	9.6
159.11688	82.0
161.13277	30.5
163.11192	9.0
171.11703	7.6
173.13290	20.4
175.14857	19.5
177.16342	5.4
181.42645	4.5
191.18018	7.6
191.27286	4.6
201.16385	85.9
202.16768	6.1
203.17859	5.3
219.17462	57.2
237.18481	15.0
268.90912	5.2
283.92148	4.7
287.05487	7.5
288.05872	10.7
310.97287	5.1
394.40369	5.3
518.35919	4.7
566.23322	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.01863	1.4
55.05516	6.1
57.03431	2.7
57.07089	1.5
67.05498	3.8
69.03428	12.2
69.07062	5.2
69.15259	9.2
71.04991	18.7
73.02911	5.0
78.33895	1.0
79.05487	5.1
79.42359	1.1
81.03379	1.2
81.07055	18.5
83.04971	1.1
83.08618	4.4
85.02885	7.4
85.06538	1.8
91.05493	3.0
93.07042	11.2
95.04932	1.9
95.08609	10.6
97.02887	5.6
97.06512	2.5
97.10146	5.1
99.08099	5.0
104.10780	1.2
105.07017	10.3
107.08595	16.5
109.06516	7.1
109.10156	11.8
110.83591	1.1
111.04459	1.2
111.08093	1.2
113.09662	1.6
115.03977	1.0
119.08572	4.6
121.10150	10.4
123.08006	1.8
123.11711	9.4
125.09628	3.8
127.03925	2.3
127.07548	2.1
127.11190	28.4
131.08571	1.4
132.38831	1.0
133.04953	3.9
133.06490	1.5
133.10118	15.0
135.07983	1.3
135.11703	4.5
137.05934	1.6
139.07558	2.9
139.11156	3.1
143.10680	8.7
145.04955	2.1
145.10123	10.4
147.11714	4.4
147.90614	1.0
149.13271	1.4
151.11177	32.1
153.09093	3.0
155.10664	13.6
159.11702	2.6
161.13297	1.9
163.06024	1.4
163.11217	2.4
167.10625	2.4
175.14880	2.8
177.12842	1.2
177.16396	14.8
181.12283	3.1
184.07364	3.6
191.17961	3.5
201.16367	7.7
219.17470	11.6
237.18491	100.0
238.18898	3.6
255.19548	16.8
260.16522	1.1
284.84171	1.2
566.23285	1.9
566.32526	1.3
567.23914	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.01881	5.4
55.05511	10.1
57.03434	13.7
61.02942	5.9
67.05502	12.4
69.03441	18.2
69.07069	8.2
71.01334	4.2
71.04995	33.7
71.30548	2.7
71.30891	2.8
73.02923	15.6
79.05499	9.4
81.07063	33.4
83.04988	7.9
83.08621	5.2
85.02914	46.4
85.06557	3.4
91.05476	17.9
93.07057	23.5
95.04990	4.4
95.08622	27.6
97.02898	23.8
97.06547	6.1
97.10189	3.4
99.08104	10.1
105.07026	47.2
107.08598	31.7
109.10171	19.4
111.08092	6.6
115.03917	13.3
119.08579	21.5
121.10174	21.5
123.11733	5.0
125.09647	29.5
127.03924	10.0
127.11242	8.3
129.05447	3.8
131.08591	10.4
133.04970	13.8
133.10138	78.9
135.11691	4.9
137.09636	3.8
143.10675	47.8
145.04990	9.9
145.10132	14.0
147.11737	16.5
149.13246	22.2
151.11206	7.3
159.11723	17.6
161.13303	12.5
163.06015	6.3
163.11235	4.1
167.14323	60.8
169.12277	5.2
170.30852	2.7
173.07784	2.6
173.13235	3.1
175.14868	4.9
177.63199	3.4
193.04970	2.6
197.78598	2.9
201.16414	31.2
219.17453	100.0
220.17989	4.4
237.18533	22.5
259.08176	3.5
263.77536	2.6
273.82074	3.0
287.05551	9.2
288.05887	22.6
303.51703	2.8
341.82394	2.8
355.01382	2.6
369.10715	6.7
473.15353	3.0
520.55884	2.8
534.18500	3.5
567.25092	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.5
55.01868	8.6
55.05508	19.6
62.85033	4.6
65.12122	4.0
67.05512	45.8
69.03438	7.2
69.07068	15.4
72.90391	4.3
79.05492	35.3
81.07058	46.1
83.04982	48.5
83.08618	4.8
91.05486	51.2
93.07046	63.7
95.04976	17.3
95.08607	82.2
97.06555	8.5
105.03422	7.4
105.07040	71.9
107.04939	8.1
107.08595	61.4
109.06532	31.6
109.10170	30.5
111.04451	19.5
111.08073	24.4
114.34730	4.5
117.07054	22.4
117.20113	4.1
119.08585	100.0
121.06495	17.3
121.10148	24.0
123.00853	5.4
123.08087	39.3
125.09618	9.1
128.06206	14.4
129.07013	18.4
130.07727	6.0
131.08565	42.4
133.06485	19.0
133.10110	43.1
135.08060	23.0
135.11722	7.5
137.05981	11.6
137.09645	6.0
139.07582	12.1
141.07014	13.1
141.09082	7.9
142.07785	22.6
143.08560	43.5
145.06505	8.3
145.10127	48.8
147.08104	22.9
147.11682	35.7
149.09557	9.9
151.07565	12.5
153.09116	5.1
155.01773	4.4
155.07146	4.1
155.08553	26.2
156.09375	11.8
157.10133	51.4
159.08060	13.0
159.11690	40.0
160.08849	5.2
160.12427	13.6
161.09602	20.8
161.13258	12.4
165.06967	9.4
167.08531	8.0
169.10143	26.5
170.10843	7.6
171.08052	17.3
171.11705	32.9
173.09615	19.6
173.13272	14.7
175.11197	13.5
175.14754	8.5
177.09135	10.6
179.08577	10.6
180.09419	5.2
181.10149	25.4
183.11714	27.7
185.09657	18.3
185.13295	20.3
187.11191	26.9
187.14886	7.7
189.09145	6.2
189.12776	13.2
191.10841	4.7
192.09399	4.7
193.08621	12.3
193.10159	13.8
194.10872	5.0
195.11688	22.6
197.09639	10.2
197.13203	22.1
199.11163	18.9
199.14854	18.4
201.12706	13.0
205.10208	7.9
206.10815	5.5
207.11679	13.2
209.09642	10.7
209.13216	23.2
211.11211	18.6
211.14857	11.0
213.12761	16.7
213.16357	15.1
215.10696	5.7
215.14421	5.2
219.11678	9.5
221.13185	10.0
223.14784	11.8
225.09134	4.4
225.12726	9.9
225.16414	6.7
227.10786	7.0
227.14134	6.7
229.15950	6.6
233.13351	8.6
234.61571	4.7
235.11276	6.5
235.14882	8.8
237.12843	12.7
237.16347	10.1
239.14230	10.7
239.18060	5.3
241.15909	12.4
247.14754	10.8
247.16988	12.5
249.16377	11.9
251.14333	10.2
253.15794	5.2
255.17416	5.7
259.16904	22.5
261.16473	6.2
267.17563	9.9
271.16989	5.7
277.15863	7.6
279.17722	9.2
281.15762	5.9
297.15152	4.5
299.20120	5.2
309.18283	6.7
319.16928	7.2
321.18466	6.4
339.19650	5.2
339.23285	9.4
381.24332	5.7
389.24918	7.6
407.25867	26.3
419.22217	6.6
431.25793	8.5
433.27884	8.2
435.25299	20.2
437.23203	16.2
441.24036	7.6
451.28317	14.1
459.25330	14.7
477.26385	66.6
495.27399	28.9
513.28583	10.9
531.29364	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.8
55.05512	16.2
67.05511	2.2
69.10787	16.6
75.54428	1.7
79.05499	2.3
81.07050	3.3
83.04980	100.0
91.05491	3.0
93.07037	5.1
95.08617	6.2
102.62506	1.6
105.07058	4.7
106.97322	1.5
107.08582	2.7
109.10179	4.1
111.04426	1.7
115.52197	1.6
119.08571	4.2
131.08592	3.0
133.10114	2.2
143.08591	4.4
145.06409	1.9
145.10199	3.8
157.10190	4.2
158.10699	1.6
159.08151	2.9
159.11792	2.9
161.09514	2.8
167.27281	1.5
169.10109	2.7
171.11609	2.0
175.11105	2.1
183.11690	4.4
184.07391	3.3
185.13257	6.8
197.13455	1.7
201.12784	3.5
213.12781	1.9
223.11214	1.9
239.17996	2.0
267.17584	3.8
279.17502	2.0
314.46527	1.6
323.20230	2.9
325.21567	4.0
351.19724	2.6
367.22772	3.6
369.20535	5.6
379.26138	8.6
381.27698	1.8
407.25781	62.8
408.26111	5.8
410.59683	1.7
425.26913	27.8
426.27066	3.0
457.58655	1.9
477.25009	2.0
567.25848	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	37.3
57.07091	19.8
61.00112	13.4
67.05502	43.5
67.69415	15.1
69.07076	24.6
69.46523	100.0
71.08630	14.8
79.05498	22.5
81.07064	50.1
81.25762	13.9
81.78768	14.5
83.04959	15.8
83.08619	17.2
91.05476	26.3
93.07047	41.3
95.04985	18.3
95.08603	69.7
98.22514	16.1
105.07038	48.7
105.94627	13.3
107.08569	45.1
109.10139	38.8
115.05473	15.5
119.08562	38.1
122.19188	13.5
123.11752	21.3
128.79880	16.0
133.10121	27.5
135.04448	70.3
135.11703	24.0
137.05960	41.4
145.10144	41.8
163.14731	16.9
165.69333	14.9
167.07086	44.0
173.09685	18.6
201.16405	24.7
202.16995	20.5
203.17944	33.9
205.12280	67.8
219.17401	53.1
220.17815	21.3
274.19318	18.3
281.29434	19.5
282.27820	83.6
283.28366	19.9
299.30234	18.5
303.00702	15.1
309.32608	28.5
310.30899	79.6
310.37061	14.5
311.31451	33.8
327.33588	21.2
386.20352	16.4
566.34949	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	4.9
58.30769	0.9
61.02932	1.5
69.03451	5.3
70.06593	2.8
71.29826	1.4
73.02920	10.7
74.59567	0.9
82.36152	0.9
85.02914	2.5
89.06023	1.0
91.36105	0.9
97.02897	11.1
106.16711	0.9
111.00793	1.0
115.03944	3.4
117.07129	0.9
137.02376	4.9
142.00690	1.0
153.01852	3.7
165.01866	2.9
183.02927	1.0
201.05428	2.0
211.06172	0.9
229.04973	4.2
257.04498	3.0
303.04996	100.0
304.05389	5.2
315.05115	5.9
329.06668	1.1
345.06070	7.2
353.71930	1.0
369.06241	2.2
399.07269	5.6
405.87488	1.0
417.08099	3.4
422.07285	1.0
435.09283	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1344
Annotation	Quercetin 3-apiosyl-(1->2)-alpha-L-arabinopyranoside
Peak:m/z	Relative Intensity
55.01853	2.4
57.03195	0.7
57.03440	8.7
59.38096	0.7
59.66439	0.7
61.02920	2.4
67.05489	0.7
69.03427	8.0
69.36553	4.0
69.45121	0.7
70.96516	0.6
71.01352	2.0
73.02504	1.0
73.02916	16.7
75.65303	0.7
81.03410	1.0
85.02905	9.6
91.36977	0.7
94.61880	0.6
95.04981	1.0
97.02896	12.9
102.39893	0.6
102.64433	0.7
109.02872	1.1
110.20409	0.7
111.00813	1.4
113.58234	0.7
115.03936	9.8
119.66102	0.8
121.02841	1.3
127.03888	1.9
133.05002	3.6
137.02341	7.0
137.05989	1.1
139.03905	1.5
149.02368	0.8
151.20319	0.7
153.01865	4.3
163.03906	1.3
165.01843	2.8
183.02898	1.4
201.05531	2.6
204.84427	0.7
207.10130	1.2
211.05898	1.5
229.05077	6.3
229.07146	1.6
232.85982	0.8
257.04492	3.6
257.42697	0.8
274.04721	1.0
285.03915	1.1
287.91498	0.7
299.05426	0.8
303.04984	100.0
304.05298	6.3
313.07068	1.0
315.04971	6.0
316.05423	1.4
327.05035	1.4
331.62494	0.7
339.04999	0.7
341.06485	2.1
345.06073	6.4
353.06583	2.0
369.06021	6.5
381.06104	2.8
382.10925	0.9
399.06961	6.9
417.08075	2.4
435.09207	4.9
567.24512	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1986
Annotation	Alopecurone C
Peak:m/z	Relative Intensity
67.05483	0.5
74.57337	0.4
105.07027	0.7
106.94104	0.4
107.04940	0.9
109.40051	0.4
128.52570	0.4
137.06013	0.5
141.23894	0.4
159.40616	0.5
163.07532	1.0
184.07315	0.7
251.12541	0.7
283.15045	0.6
357.94165	0.4
523.22980	0.9
535.28516	0.8
539.22357	0.6
567.19934	100.0
567.30865	2.9
568.20178	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
57.03440	0.7
67.05511	1.5
69.49159	1.9
69.49582	0.8
71.05017	0.7
73.92480	0.5
73.98596	0.6
79.05488	1.9
81.03424	1.4
81.07067	1.8
83.04985	0.9
83.08643	0.7
85.02904	1.2
91.05482	1.9
93.07028	0.7
95.04983	1.3
95.08620	1.1
99.33600	0.6
105.07047	1.7
110.69585	0.5
119.08629	0.9
121.10175	0.9
127.60815	0.5
129.81107	0.5
131.08635	0.8
147.11687	0.8
162.05328	0.7
193.12231	1.1
251.12497	1.4
283.15182	12.2
290.81628	0.6
307.15182	1.7
329.14014	0.9
339.17758	7.1
345.39264	0.6
467.09424	0.6
467.17218	0.6
567.20032	87.4
567.31281	100.0
568.20398	8.5
568.31525	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02622	0.3
55.60910	0.3
57.19672	0.3
60.08174	0.4
67.05486	0.5
71.30318	0.5
74.09720	0.5
81.07065	0.5
81.94375	0.3
86.09711	1.2
90.90214	0.3
93.07036	0.4
93.65443	0.4
97.02663	1.3
105.07041	0.4
124.99999	1.0
131.08537	0.3
163.03839	0.3
163.07518	0.3
167.07076	0.4
177.09003	0.4
178.05972	0.5
181.08501	0.3
184.07353	3.7
185.07790	0.8
191.03479	0.4
191.06818	0.4
199.10992	0.9
201.08789	0.3
204.07567	3.4
215.10445	1.5
217.08458	2.0
221.07816	0.9
230.12793	1.1
243.09962	1.4
257.11307	0.3
259.09479	1.0
262.11984	0.4
265.10922	0.4
271.13086	0.5
271.16739	1.1
273.11093	0.8
274.11728	5.4
275.12534	5.2
284.13760	0.8
285.11441	0.3
285.14542	0.9
287.08859	0.9
287.12189	0.4
296.32117	0.3
299.12592	1.4
299.16223	1.4
306.10733	14.4
307.11060	0.5
307.28705	0.4
313.14117	2.8
315.15646	5.9
316.12653	0.6
316.15936	0.8
327.15631	1.8
329.13727	0.6
329.17212	4.1
330.17856	0.8
332.98059	0.3
343.15152	19.2
344.15509	1.2
357.16980	0.5
362.17166	0.5
371.14743	1.0
373.16272	0.6
374.16998	1.2
376.64633	0.4
387.14105	0.5
401.15677	8.4
402.16519	4.5
403.17245	3.9
447.21506	0.9
450.56924	0.4
455.24243	0.5
456.24683	1.8
470.26288	0.9
475.20923	0.7
486.25500	0.8
496.24200	0.8
505.22006	2.6
539.22534	26.3
540.22931	2.9
567.21899	100.0
568.22241	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.22
Annotation	Thielavin O
Peak:m/z	Relative Intensity
52.36918	0.2
55.05500	0.3
67.05505	0.4
81.07055	0.7
83.04964	0.4
93.07053	0.3
95.04929	0.4
95.08617	0.6
105.07020	0.7
107.08616	0.4
109.06537	0.4
109.10172	0.3
119.08647	0.3
130.46263	0.2
132.91908	0.3
133.10167	0.3
137.05952	0.7
143.08588	0.5
145.10146	0.3
149.09650	0.4
153.43832	0.3
157.10121	0.5
167.07082	0.3
204.07562	0.4
216.11150	0.3
221.07845	0.3
253.15697	1.2
257.11484	7.2
258.11804	0.4
269.15088	0.9
272.10275	0.3
274.11755	1.1
275.12439	0.5
281.15320	0.4
285.11053	2.0
297.14597	3.1
299.16092	0.3
303.08405	0.4
306.10712	0.4
311.16171	0.3
312.16895	1.5
313.14090	0.9
315.15717	0.6
316.12622	0.3
317.10043	0.4
318.10663	0.8
325.14151	0.8
327.15622	0.7
329.09891	0.3
329.17255	0.6
341.13559	0.3
343.15085	2.1
347.10992	1.9
356.16141	0.4
357.16763	1.0
359.14597	0.3
371.14813	0.4
386.35318	0.3
388.18518	0.4
401.15842	1.9
402.16382	0.6
421.24005	0.4
454.23032	1.6
456.24847	0.6
470.26529	0.7
477.22232	0.4
486.25989	0.5
487.20639	0.4
496.24130	0.8
497.25397	0.7
505.22128	1.1
514.25275	0.7
521.21429	0.8
523.23071	0.9
523.31787	0.3
531.25214	0.3
532.26440	0.7
539.22522	1.2
549.20874	4.1
550.21350	0.5
567.21954	100.0
568.22321	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.22
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34938	0.3
69.01612	1.0
69.02027	2.2
70.44331	0.3
76.77985	0.3
80.67995	0.4
128.62038	0.3
136.30228	0.3
161.09636	0.4
171.71854	0.3
205.08481	0.5
221.07951	0.7
231.09969	0.7
257.11493	0.4
259.09473	0.6
272.10214	0.4
273.11057	0.8
274.11572	0.5
289.10355	0.6
290.11365	1.7
291.11884	0.4
306.10782	0.6
309.91080	0.4
313.14075	0.4
315.15533	0.4
325.14105	0.7
343.15219	1.2
355.11639	0.4
357.16748	0.3
381.12967	0.5
388.18512	0.4
401.15726	0.7
423.50903	0.4
431.18283	0.4
447.21460	0.4
449.19052	0.8
477.22821	0.7
495.23672	0.9
496.23676	0.4
505.21893	0.5
521.21716	1.8
523.22998	3.0
539.22510	5.6
540.23199	0.4
549.20947	4.2
550.20886	0.6
567.22003	100.0
568.22357	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2202
Annotation	Thielavin B
Peak:m/z	Relative Intensity
52.52898	0.2
52.79760	0.2
69.03416	1.0
69.24953	1.8
72.21281	0.2
79.05492	0.3
81.07037	0.6
83.04964	0.2
91.05483	0.5
93.07038	0.3
95.04955	0.3
95.08584	0.3
97.02848	0.4
97.06551	0.3
98.23379	0.5
99.88250	0.2
105.07030	0.5
107.08592	0.5
109.06519	0.7
117.07089	0.3
119.08585	0.6
121.10088	0.3
121.30634	0.2
123.08162	0.3
133.10091	0.3
137.05968	0.7
137.09674	0.2
139.07538	0.4
143.08525	0.6
145.10103	0.4
147.08018	0.4
155.08566	0.5
156.05667	0.3
157.10207	0.3
159.08083	0.3
161.09631	0.5
163.07510	0.3
169.10104	0.3
173.09642	0.5
175.07654	0.3
181.10182	0.4
183.11703	0.5
184.07356	0.3
187.11282	0.3
187.66820	0.2
189.09215	0.4
193.10114	0.4
209.13457	0.4
211.11211	0.2
221.13217	0.3
238.88519	0.2
273.14542	0.4
293.19058	0.3
311.20166	0.4
317.08499	0.8
389.85159	0.3
413.15564	0.2
435.20923	0.4
436.21686	0.3
453.22556	1.3
454.23566	0.4
471.23792	2.4
472.24176	3.7
475.21063	0.6
477.18686	1.0
487.27008	0.4
489.24829	3.4
493.21683	0.6
495.23380	0.3
505.21649	0.5
505.28253	0.3
513.24799	0.4
515.22833	0.3
521.21350	0.4
523.22589	0.6
531.25928	0.4
532.25970	0.5
549.20917	7.8
550.21631	1.1
567.21997	100.0
568.22308	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2354
Annotation	Katsumain C
Peak:m/z	Relative Intensity
61.53131	0.4
67.05492	0.7
76.72588	0.5
81.03406	0.5
81.07053	0.8
83.05005	0.8
98.22532	1.1
268.99615	0.5
381.14612	6.4
479.22040	3.7
500.23621	1.0
567.23547	100.0
568.23920	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.1
62.56623	1.0
67.05488	4.1
69.04544	2.0
71.30872	2.0
73.86352	1.1
79.05484	1.7
81.07066	2.8
83.04980	7.6
89.64665	1.1
91.05486	2.2
93.07043	2.0
95.08609	2.0
105.07006	1.8
109.10149	1.9
110.83124	1.4
111.04494	1.4
117.07117	1.1
125.09561	1.5
133.10097	1.3
141.11044	1.2
153.09010	1.3
179.92358	1.5
184.24426	1.0
221.89226	1.1
225.09230	1.2
306.53339	1.2
350.73770	1.3
367.18716	1.5
370.18735	1.5
383.16190	24.1
384.16513	2.2
397.19595	3.8
408.26099	3.2
439.22513	1.4
447.24951	3.1
463.24173	2.2
479.21619	3.9
480.22534	4.0
481.23349	4.4
505.23199	2.1
523.24658	27.0
524.25110	1.8
539.24097	9.5
549.27753	2.0
567.23547	100.0
568.24017	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.4
69.03443	0.2
79.05537	0.2
81.07052	0.4
83.04991	0.2
83.08620	0.2
91.05495	0.2
93.07037	0.5
101.09029	0.2
105.07057	0.2
107.08604	0.3
109.10206	0.2
119.08634	0.3
120.09032	0.2
133.02553	0.2
137.05945	0.4
151.03828	0.4
167.07082	0.3
177.05403	0.2
181.04976	0.3
184.07365	0.2
191.06961	0.2
215.10599	0.2
237.18477	0.2
238.18777	0.2
245.11346	0.2
248.77875	0.2
261.11096	0.3
283.13077	2.3
285.14590	0.2
301.14044	0.4
317.08548	0.3
339.15756	0.2
341.13766	0.4
353.17499	0.4
357.17014	0.3
369.17072	0.5
381.16629	2.1
381.21213	0.3
387.94214	0.2
388.24527	0.2
399.17798	8.6
400.18558	0.4
411.17700	0.3
413.19254	0.3
429.18835	1.9
437.23071	0.3
469.23303	0.3
487.24600	1.5
505.25580	2.3
521.25342	0.3
523.26489	1.6
531.24072	0.3
537.24280	0.3
549.24628	2.1
567.25397	100.0
568.25653	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79785	0.3
55.05509	1.1
63.94802	0.3
67.05505	0.5
68.84049	0.4
69.03425	0.3
71.29001	0.5
74.38407	0.4
79.05517	0.3
81.07055	0.9
83.04979	0.4
83.08621	0.7
85.02898	0.7
85.06594	0.3
86.09724	0.8
91.05488	0.4
91.74384	0.3
93.07032	0.6
95.08611	0.7
97.06519	0.3
100.11249	1.4
101.11543	0.3
105.07030	0.8
107.08604	0.4
112.47102	0.3
116.61758	0.3
119.08580	0.6
121.10155	1.0
125.00060	0.3
133.02663	0.5
133.10172	0.4
137.05986	0.7
145.10074	0.7
161.13242	0.3
167.07062	0.5
181.04951	0.6
182.15385	0.7
184.07352	1.8
185.07788	0.6
187.95084	0.3
210.14960	0.5
220.17862	0.3
229.59573	0.3
233.15417	0.3
261.11060	0.7
268.96121	0.3
283.13031	1.1
285.10513	0.3
317.08609	0.4
335.09552	0.5
339.15695	0.7
369.16742	0.8
369.26236	0.4
381.16788	0.8
399.17764	5.7
400.18057	0.4
405.18930	1.0
408.63190	0.4
429.18890	1.7
457.22958	0.4
469.23563	0.4
469.88492	0.3
475.24271	0.6
487.24545	1.4
505.25269	3.0
505.31702	0.4
519.23444	0.6
523.26044	2.4
523.33234	0.6
531.23383	0.8
549.24371	3.1
557.92218	0.5
567.25507	100.0
568.25879	10.1
568.34888	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39661	1.5
57.24304	1.7
65.50591	1.7
67.05505	2.2
69.03410	3.1
70.34304	1.6
71.05006	2.0
71.44285	1.7
81.07053	4.6
83.04981	1.9
91.05472	3.8
92.44709	1.6
93.07040	3.9
95.08624	3.2
97.02915	2.8
97.06544	2.1
98.22617	3.1
105.07034	4.5
107.08588	2.9
108.94873	1.7
109.06528	4.0
111.08040	2.1
117.07031	2.3
119.08566	4.1
121.06484	1.7
123.08081	3.1
125.06009	1.9
129.07019	2.0
131.08603	3.4
133.10088	3.3
137.05945	2.1
143.08572	3.2
145.10159	4.1
147.04286	1.9
147.08069	1.9
151.03911	2.9
155.08549	3.2
157.10147	4.0
159.11650	1.8
161.09596	2.5
161.46217	1.9
163.11133	1.8
167.07021	1.8
169.10158	2.6
171.11723	2.4
173.09624	2.7
181.10124	3.8
197.09735	1.6
209.13397	3.5
221.13210	2.8
235.14940	2.4
247.14870	3.6
249.16350	2.4
263.14468	1.9
265.15942	3.5
266.16492	2.7
275.18271	1.6
293.18985	1.8
317.08600	3.5
353.21735	1.9
402.14011	2.2
455.24362	11.4
456.24246	1.8
463.28445	2.0
471.23886	3.8
472.24057	4.7
473.25357	84.1
474.25558	10.0
485.25314	3.1
489.24866	8.0
503.26208	5.2
513.24432	2.5
523.22357	4.0
549.20599	6.2
567.22101	100.0
568.22644	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2806
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
55.05404	1.9
55.05691	1.0
56.96480	0.6
67.05381	2.7
69.03297	5.8
69.03709	1.8
69.06945	1.9
70.45798	1.6
70.46147	0.7
71.04908	1.0
73.02776	1.9
79.05357	4.4
79.05850	1.4
81.06905	5.2
81.07425	1.1
83.04828	3.3
85.02831	1.3
91.05331	6.8
91.05944	0.9
93.06887	7.0
95.04809	2.9
95.08456	4.3
95.50015	0.5
97.02734	5.4
97.06377	3.4
99.04300	1.5
99.74746	0.5
103.05383	0.7
105.06863	8.7
107.04837	0.9
107.08428	7.1
107.09206	0.6
109.06355	12.7
109.07157	1.1
109.09993	3.6
111.04341	0.6
111.07933	3.2
115.03750	2.1
115.04486	0.8
115.05334	1.3
117.06852	4.4
117.07723	1.0
119.08411	11.6
121.06345	3.7
121.09975	4.6
123.07896	5.5
123.11542	1.0
125.05817	3.7
125.09498	1.1
127.07420	0.9
128.06024	1.9
128.06868	0.6
129.06821	4.3
131.08389	7.8
133.06311	1.8
133.09950	6.1
134.55109	0.6
135.07870	3.4
135.11549	0.9
137.05789	2.3
137.09460	2.3
139.07370	2.2
141.07001	4.0
142.07588	2.5
142.08560	0.7
143.06784	0.7
143.08372	9.6
144.09155	0.7
145.06306	2.5
145.09932	10.8
147.07845	4.5
147.11678	4.0
149.09596	2.7
151.07497	1.0
153.05345	1.0
153.06819	1.0
153.08980	0.8
154.07645	1.1
155.07082	0.6
155.08565	6.3
156.09135	1.7
157.06335	0.7
157.10149	8.6
158.10309	0.8
159.08089	4.7
159.11688	5.8
161.09616	7.2
161.13155	1.4
163.07452	0.9
163.11220	2.8
165.06850	1.5
165.09119	4.8
167.06989	1.2
167.08389	3.5
167.10532	1.0
168.09225	1.1
169.10147	7.8
170.10696	0.6
171.07840	2.2
171.11696	5.9
172.08604	0.7
173.09627	5.5
173.13087	2.5
175.07420	1.1
175.11209	3.5
177.08922	1.6
178.07634	0.8
179.08517	2.9
179.10497	1.7
180.09193	1.5
181.06332	0.6
181.08444	1.9
181.09946	6.3
182.10626	1.9
183.07959	1.4
183.11655	6.1
185.09665	4.3
185.13081	2.4
187.11159	6.0
189.09109	3.8
189.12613	1.9
191.08418	1.2
191.10530	0.8
192.09174	1.6
193.10123	4.7
194.10645	2.0
195.07851	0.8
195.11745	6.0
196.12302	1.1
197.09409	2.6
197.13231	4.1
199.11276	3.2
199.14670	1.3
201.08994	0.8
201.12560	2.6
203.08467	1.1
203.10498	2.7
203.14233	0.8
205.09967	2.4
205.11792	0.7
206.10745	1.6
207.07899	0.7
207.09850	0.9
207.10437	0.7
207.11711	4.5
208.12321	1.3
209.09412	1.6
209.13258	5.0
210.13702	0.8
211.11249	3.7
211.14777	2.8
213.08946	0.7
213.12669	3.4
215.08366	0.9
215.10532	1.5
215.14166	0.9
217.09981	1.3
217.11961	0.7
218.10872	0.8
219.11501	2.6
220.12216	1.5
221.09628	0.9
221.13326	5.6
222.13852	0.9
223.10980	1.8
223.14832	3.7
225.12782	3.0
225.16206	1.6
227.10684	0.8
227.14128	2.2
229.09932	0.6
229.12053	1.0
230.10715	1.3
231.11504	1.9
231.13593	0.7
232.12354	1.3
233.13080	2.2
234.13754	1.5
235.11009	2.0
235.14920	4.6
236.15408	0.8
237.12564	2.5
237.16367	4.0
239.14175	1.9
239.17894	1.2
241.15811	1.0
244.12215	0.8
245.13367	4.7
246.13847	1.2
247.14932	3.1
248.11884	0.9
248.15536	0.7
249.12570	2.1
249.16245	2.4
250.13284	1.1
251.14133	2.2
251.17838	1.3
253.15892	3.1
255.17403	0.8
258.13889	1.0
259.14771	1.4
261.16287	1.1
262.13480	0.7
263.14343	5.3
263.17813	2.1
264.14972	1.2
265.15747	5.2
265.19357	2.5
267.12158	2.2
271.14496	0.6
273.14282	1.5
273.16840	0.7
275.14276	0.6
275.17813	2.3
277.15848	1.5
279.17188	1.5
281.15164	2.1
281.18878	1.6
282.19382	0.8
283.11713	0.7
283.16785	1.6
283.20364	1.5
287.14160	1.0
287.17514	1.2
289.15771	1.2
291.17255	1.6
293.15610	1.1
293.18930	7.3
295.16858	0.7
295.20462	0.8
301.19370	0.7
303.09119	1.0
303.17398	0.7
305.15396	1.4
305.18878	2.0
307.16577	1.7
307.20145	0.7
309.18469	1.4
309.21924	1.3
311.20102	9.3
312.20505	0.9
315.17184	1.1
317.08328	2.7
321.10120	1.3
323.16333	0.9
323.19946	2.3
325.17838	2.3
325.21460	1.0
333.18234	2.0
335.20010	2.7
339.11246	0.8
345.18225	0.9
347.20032	1.3
351.19400	2.1
353.21136	3.9
357.17877	0.7
365.20981	0.9
369.20544	0.8
371.22321	2.9
379.22568	0.7
389.21127	1.1
393.20731	1.0
397.23819	0.8
407.22290	1.7
411.21768	1.0
415.24835	0.8
423.25876	0.7
425.23212	5.6
426.24121	0.7
431.22147	0.7
433.23743	1.0
435.21463	1.7
442.23224	0.9
443.24249	7.4
449.23273	1.1
451.24701	1.1
453.22745	13.2
454.23178	1.7
455.20435	0.9
461.25577	1.5
467.24521	1.5
469.25949	5.4
471.23801	50.9
472.24289	4.8
473.24310	0.5
485.25400	2.3
487.27155	12.4
488.27466	0.8
489.24854	100.0
490.25156	9.2
495.23865	6.6
497.21133	0.8
503.26471	0.6
505.27972	9.9
506.28098	0.9
507.25836	5.3
513.24927	15.2
514.25189	2.3
531.25946	17.4
532.26141	1.2
567.23596	23.3
568.24432	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
55.05518	1.0
57.03445	1.0
59.05003	0.6
67.05515	1.7
69.46377	0.7
69.46785	1.8
71.04996	0.8
79.05505	1.3
81.03424	1.9
81.07069	2.0
83.05003	1.1
83.08629	0.5
85.02905	1.1
91.05468	1.7
93.07051	0.9
95.04987	0.6
95.08621	1.1
97.06544	0.5
98.22705	0.7
105.07039	1.8
107.08620	1.0
109.06544	0.4
114.47488	0.4
119.08619	1.2
121.10148	0.9
129.07037	0.5
131.08586	1.0
133.10158	1.0
147.11723	1.2
149.09631	1.0
156.59093	0.3
156.97685	0.3
157.10219	0.5
175.11288	0.6
193.12270	0.9
251.12599	1.6
268.69031	0.3
272.21115	0.3
283.15164	12.8
284.15701	0.4
285.17056	0.6
307.15280	0.9
331.95786	0.3
339.17776	6.3
340.18164	0.5
549.24207	0.4
567.25183	6.1
567.31555	100.0
568.25256	0.7
568.31995	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
64.02505	0.4
67.83993	0.5
69.62627	1.0
69.63036	1.5
80.94860	0.8
82.94560	3.2
91.05514	0.4
95.08646	0.4
98.22526	0.5
133.10168	0.5
153.66173	0.4
218.85548	0.5
236.06023	0.4
267.70331	0.5
385.49091	0.5
417.27499	1.0
435.28769	0.7
445.30783	4.5
463.31870	21.0
464.32214	1.8
479.31244	0.9
489.29816	7.1
489.36575	0.4
507.30820	29.1
508.30673	2.2
529.29218	1.0
549.31946	9.9
550.32281	0.9
567.32959	100.0
568.33154	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
69.30389	1.4
69.30807	1.9
69.62281	0.4
74.09737	0.6
80.94855	1.0
82.94546	3.6
85.75111	0.5
93.07067	0.6
103.53853	0.4
107.08602	0.6
114.17255	0.4
314.72556	0.4
435.28613	0.7
445.30792	4.6
463.31778	21.5
464.32278	2.0
479.31393	1.8
489.29651	6.5
504.34665	0.8
507.30798	31.2
508.30869	2.6
529.28937	0.8
549.31763	11.6
550.32251	0.6
567.32947	100.0
568.33307	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25568	1.9
50.86736	1.6
52.93459	1.7
53.03952	3.8
55.05516	9.1
57.07090	12.0
57.74771	2.2
59.04995	3.4
59.40578	1.8
65.03956	2.3
67.05501	18.8
69.03446	5.7
69.07065	12.5
71.08650	2.5
79.05504	21.1
81.07065	36.3
83.04998	3.0
83.08627	2.7
85.06557	4.9
88.07629	2.1
91.05482	28.2
93.07048	49.4
94.23965	2.1
95.04975	5.7
95.08606	38.7
95.09161	3.3
97.06506	3.6
98.23381	3.6
103.05494	3.1
105.07034	56.5
107.08601	32.2
107.09274	3.1
109.06528	5.4
109.10163	25.6
117.07027	11.4
119.08582	59.6
121.06511	3.5
121.10157	42.4
123.08109	11.2
123.11718	13.8
125.06150	2.7
128.06221	4.0
129.07053	7.0
130.07762	3.9
131.08586	23.2
132.09419	2.1
133.10138	28.6
135.08051	4.9
135.11703	15.9
137.09618	12.5
137.13298	2.7
139.07538	2.5
141.07042	4.1
142.07774	10.9
143.08575	22.8
144.09377	3.9
145.10133	39.6
147.08025	18.8
147.11693	13.7
149.09657	4.1
149.13295	3.7
151.07547	13.6
153.07019	2.5
153.09122	2.9
155.08598	8.0
156.09370	8.8
157.10138	29.8
158.10922	2.6
159.08099	2.9
159.11708	19.6
161.09662	2.7
161.13249	11.0
163.11220	8.2
165.07027	2.8
165.09123	47.7
165.10439	3.1
167.08664	5.6
168.09457	2.3
169.10168	15.2
170.10916	5.4
171.11682	16.5
173.13261	11.8
175.11197	4.0
175.14780	12.6
179.08598	4.0
181.10138	6.1
181.12294	7.4
182.10884	4.0
183.11658	13.0
185.13257	10.0
187.14842	8.4
189.12808	4.5
189.16376	2.1
193.10225	5.5
194.11028	3.2
195.11732	11.3
196.12523	3.4
197.09500	2.6
197.13187	10.5
199.14925	4.9
201.12801	2.4
201.16490	3.5
203.14334	16.5
207.11731	6.6
207.13885	5.6
208.12511	3.2
209.13339	9.4
209.15282	3.2
210.14070	2.0
210.46980	2.0
211.14902	10.5
213.16473	7.2
215.10857	1.8
221.13342	5.3
221.15359	99.5
222.15804	4.2
223.14818	5.1
225.16483	4.2
227.18018	2.2
229.43246	2.3
233.13356	2.2
235.14810	2.2
237.16478	7.8
239.17972	4.6
240.27061	1.9
241.19533	2.1
247.17044	3.2
259.14969	2.7
263.18512	2.3
265.19675	3.0
267.21167	3.3
283.20670	2.2
284.29590	16.8
286.19379	2.6
287.20105	3.3
299.20273	2.4
311.29480	5.3
353.24838	4.7
359.27441	6.8
364.23932	2.5
387.30603	2.1
445.30988	4.0
475.35617	16.0
487.35767	6.5
549.40881	5.2
567.41992	100.0
568.42224	11.3
568.56445	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34665	1.9
53.03950	3.1
55.05512	13.2
57.07075	12.4
65.03947	4.9
67.05508	20.4
69.03429	7.1
69.07074	13.7
70.06587	2.1
71.46674	1.9
71.48148	2.3
75.03158	2.0
79.05503	23.9
79.97813	2.5
81.07064	42.9
83.04984	3.3
83.08632	4.4
85.06567	5.1
86.16984	2.3
88.07616	3.1
91.05487	38.5
93.07055	50.1
95.04982	8.7
95.08607	37.3
97.06551	2.9
97.10217	2.1
103.05481	4.1
105.07035	73.2
107.08601	39.1
109.06539	6.8
109.10155	30.3
115.05484	3.7
117.06994	11.3
119.08584	75.6
121.06528	4.3
121.10146	48.3
123.08067	19.3
123.11706	13.9
125.05980	5.8
128.06218	6.2
129.07034	8.3
130.07826	8.2
131.08574	28.4
133.10144	38.0
134.10483	2.5
135.08017	10.6
135.11728	13.2
137.09624	12.8
139.07570	2.9
141.07040	3.6
142.07806	11.7
143.08572	30.4
144.09329	4.6
145.10136	47.4
147.08080	26.3
147.11725	14.5
151.07561	12.3
153.09157	2.5
155.08604	7.8
156.09357	9.6
157.10138	33.7
158.10909	5.2
159.11699	25.3
161.09622	4.1
161.13304	9.0
163.11218	7.1
165.07011	4.6
165.09125	45.3
167.08623	5.7
168.09302	4.1
169.10112	18.0
170.10825	2.3
171.11743	15.0
173.09872	2.6
173.13286	15.6
175.14867	12.2
179.08595	6.8
181.10147	9.5
181.12270	9.2
182.10939	4.0
183.11710	16.4
185.13252	10.3
187.14867	8.0
189.12819	3.4
191.10791	2.2
193.10170	7.0
195.11716	13.1
196.12476	3.6
197.13245	11.4
199.14859	6.8
201.16425	2.5
203.14346	13.7
207.11784	4.6
207.13832	7.0
209.13255	8.1
209.15112	2.4
210.13841	2.6
211.14813	9.9
213.12735	3.0
213.16481	7.6
215.99672	1.8
219.11629	2.8
221.13335	7.1
221.15359	100.0
222.15804	4.3
223.11197	2.2
223.14850	6.1
225.12843	2.5
225.16589	2.9
227.18025	2.6
235.14954	4.2
237.16431	8.9
247.14774	2.6
247.17091	2.5
251.17969	3.4
253.19649	3.0
263.17975	2.4
277.19244	2.8
279.21133	2.8
284.29504	37.8
284.32498	2.7
285.29739	2.3
294.02502	2.6
311.29370	3.6
353.24725	2.5
359.27390	7.3
387.30536	2.9
413.68997	2.1
475.35782	13.4
487.35806	7.1
549.40686	3.1
567.42023	88.1
568.42511	10.0
568.56488	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
65.70097	1.0
68.67957	1.0
69.17958	8.4
74.65263	1.4
105.03396	4.5
113.02383	1.2
120.76305	1.1
159.22803	1.3
167.43982	1.1
181.06525	1.1
184.07416	1.9
192.24245	1.0
196.08763	1.3
197.05940	1.8
207.08029	1.2
209.09685	1.2
211.07562	2.7
213.09258	1.2
223.07535	1.6
224.08321	1.7
226.06180	1.9
227.07034	3.1
235.07556	2.9
236.08298	3.1
237.09131	3.4
238.06265	1.3
239.06995	2.3
239.10764	2.6
241.08647	2.9
242.05789	1.4
249.09038	1.6
250.10074	1.6
251.07071	2.2
252.07803	7.0
253.08569	2.1
254.05754	3.1
254.09645	1.8
255.06465	2.4
257.08234	1.2
263.06992	2.5
265.08621	4.6
266.09241	2.7
267.06589	3.7
267.10193	10.0
268.07257	1.2
269.08139	3.2
277.08624	1.7
278.09412	2.0
279.06674	1.8
279.10107	1.5
280.07391	3.0
281.08188	2.6
281.11157	1.4
282.08893	3.8
283.05887	1.3
284.06885	4.2
285.07333	2.6
286.08438	1.8
294.08890	1.4
295.09625	13.8
296.10318	2.3
297.07626	5.2
297.11267	7.1
299.09155	8.0
299.12488	2.0
300.09888	1.3
301.07019	1.7
301.10623	1.9
311.09134	1.9
311.12793	1.5
313.07043	3.9
314.11411	1.6
315.08612	2.9
321.11023	1.3
325.10663	15.8
326.11435	2.3
327.08719	3.5
327.12344	6.4
328.09363	4.5
329.06619	1.6
329.10147	3.7
329.13873	4.4
339.12262	2.2
343.11823	2.1
344.08862	1.4
351.12158	2.0
353.13858	4.1
357.13321	34.2
358.13644	3.1
359.11212	8.9
369.13202	2.8
371.14880	8.9
373.84491	1.3
383.15027	5.6
401.15958	100.0
402.16168	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33809	2.3
66.08651	2.3
79.77474	2.4
85.87123	2.7
93.86228	2.4
105.03391	3.2
105.24353	3.0
118.75666	2.5
119.06179	2.8
195.08026	3.1
222.06735	3.5
222.10370	3.7
225.09079	3.0
227.06996	5.9
237.05470	3.8
237.09167	4.1
239.07172	4.0
251.07133	2.9
255.06573	16.4
261.09283	3.4
263.07132	7.3
265.08463	3.9
267.10287	5.3
269.08109	5.9
277.08563	6.3
278.09344	8.7
280.07404	6.7
281.08084	5.6
282.08945	4.0
283.06113	9.1
283.09552	4.3
291.06717	3.7
291.10089	4.3
293.08139	5.9
293.11743	7.6
295.06323	3.1
295.09610	9.1
296.06857	3.8
297.07590	4.7
298.08328	50.6
299.08896	8.2
305.08069	4.9
306.08795	4.1
310.08197	3.2
311.05502	3.3
312.09805	4.9
313.07303	4.9
313.10721	26.0
320.10342	3.4
321.07809	4.1
321.11215	16.5
323.09116	5.7
325.10718	10.4
326.07953	13.8
327.08743	5.0
327.12296	9.0
332.46240	3.1
336.09799	7.7
337.10681	5.9
339.12268	5.2
341.10248	100.0
342.10651	10.3
343.11911	14.6
351.12308	12.1
352.12927	6.5
353.09973	4.0
353.13821	23.9
357.13248	17.7
359.11157	9.3
362.76736	2.9
368.12335	5.4
369.13025	3.6
383.14905	54.6
384.14944	3.9
401.15924	88.6
402.16257	7.6
424.14630	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
59.02380	0.9
59.13428	1.1
69.08695	7.4
69.89032	0.9
74.38837	1.0
79.16055	0.9
86.65961	1.0
95.04974	1.2
105.03398	8.0
130.52441	1.2
166.42178	1.2
210.06816	1.4
211.07439	2.2
223.92033	1.0
225.09093	2.3
227.07025	2.4
235.07567	1.1
236.08144	1.3
238.06139	1.0
239.07022	1.7
240.07726	1.5
240.11423	1.0
241.08577	2.7
249.09093	1.2
250.09944	1.6
251.06992	1.9
253.08589	3.1
254.05890	1.6
254.09343	1.6
255.06561	2.7
255.10143	2.2
256.07263	1.7
257.08057	2.4
262.09927	1.4
263.06976	1.4
265.08655	3.4
266.09308	1.2
267.06534	1.6
267.10162	5.6
268.07324	2.6
269.08258	5.4
269.11392	1.3
270.08868	1.5
277.08575	1.7
278.09363	2.4
279.06570	2.1
279.10068	3.2
280.07266	1.4
280.10764	2.1
281.08157	2.5
281.11560	1.2
282.08969	2.4
282.12561	3.2
283.06693	1.1
283.09592	6.5
283.12875	1.5
284.06787	4.5
284.10132	2.1
285.07495	4.7
286.07947	1.2
292.10931	1.3
293.08157	2.4
293.11609	2.2
294.08847	1.9
295.06378	2.2
295.09570	11.7
296.06848	2.2
296.10196	2.0
297.07590	6.2
297.11224	4.4
298.08319	5.1
298.11646	1.9
299.09055	9.8
300.06613	1.4
300.09888	4.4
301.10684	2.4
307.09622	1.3
308.10110	1.3
309.07776	1.8
309.11292	3.7
310.08368	3.3
310.11880	14.7
311.06104	1.1
311.09473	4.9
311.12677	4.6
312.06387	1.9
312.09790	9.9
313.07272	1.7
313.10645	7.2
313.14426	3.3
314.07880	1.2
314.11331	2.1
315.08572	3.9
315.11960	1.8
316.09619	1.2
320.10391	2.5
321.11139	3.5
323.12683	2.9
324.13464	1.8
325.10779	13.9
326.07971	1.6
326.11490	12.8
327.08575	8.9
327.12152	2.7
328.09290	2.4
329.10114	4.6
335.12726	1.3
336.09891	1.6
339.12201	3.3
340.13037	27.5
341.10101	13.0
341.13824	19.9
342.10901	18.1
342.14584	2.4
343.07974	2.8
343.11707	5.9
351.12280	9.6
355.11670	1.3
356.12503	22.7
357.13132	3.6
358.10532	4.6
366.14642	12.7
367.15381	3.2
371.14883	40.7
372.15057	2.0
373.12857	18.5
374.12897	1.5
382.13925	1.6
383.14993	9.8
384.15552	6.8
385.16470	1.6
397.16605	6.5
400.15436	1.8
415.17499	100.0
416.17938	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01875	3.7
55.05520	3.9
55.30967	1.3
57.03444	2.3
61.02933	2.3
66.71309	1.3
67.05510	4.9
69.03429	9.0
69.07070	1.8
71.04998	6.0
71.30061	1.6
72.12140	1.5
73.02936	2.1
79.05493	13.7
81.03424	3.9
81.07066	7.3
81.76797	1.3
83.04987	3.1
85.02907	27.4
85.03426	1.8
85.06548	2.0
86.03272	1.8
87.42887	1.6
91.05490	5.0
93.03400	1.7
93.07040	29.8
95.04987	5.1
97.02903	9.8
97.06548	3.8
99.04459	15.3
101.64650	1.3
105.07030	72.3
106.07388	2.1
107.08592	79.0
108.08959	2.5
109.02884	4.3
109.06528	5.0
111.08099	1.4
117.07044	4.1
119.08588	23.7
121.06509	12.7
121.10149	31.4
127.03918	11.1
127.07614	2.1
131.08519	2.6
133.10147	1.8
135.08066	4.9
135.11694	22.6
137.05957	2.3
143.08557	1.5
145.04956	9.3
145.06471	1.3
145.10123	39.3
146.10475	2.4
149.05959	1.9
149.09639	4.2
161.09656	2.5
163.06110	2.6
163.11189	100.0
164.11545	4.7
173.09644	5.1
180.08696	2.6
181.12241	42.5
182.12607	2.0
189.09099	2.1
191.10677	60.4
192.10974	3.5
209.11717	63.2
209.92032	1.5
210.12022	1.9
227.12784	89.5
228.13173	5.4
247.19704	1.8
335.14871	3.8
353.15994	3.5
473.21506	2.1
478.28812	2.4
568.24042	1.9
569.25854	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01868	1.4
55.05505	1.0
55.46970	0.8
59.51575	0.7
67.05148	0.9
67.05495	3.0
69.03433	4.0
69.07074	0.8
69.26842	5.5
70.06581	1.1
71.04987	1.9
73.02917	1.8
79.05473	2.3
81.07043	1.0
85.02908	7.0
91.05474	2.9
93.07040	14.8
95.04963	1.5
95.08605	38.0
97.02866	4.4
99.04471	5.9
105.07030	11.9
106.07339	0.9
107.08577	1.4
109.06490	1.1
115.03909	1.1
119.08580	2.0
121.10139	25.9
122.09660	3.2
122.10458	1.4
123.08066	15.9
127.03915	2.7
133.10130	2.2
135.08060	3.1
145.04965	1.4
147.11700	2.6
151.07552	2.2
151.42873	0.9
157.10060	0.9
159.11752	1.7
163.03983	0.9
169.08595	100.0
170.08929	3.4
175.11168	2.3
177.05486	1.1
193.12254	2.0
221.11705	7.0
227.09415	0.9
239.12772	22.3
257.13647	0.8
377.28079	0.9
385.06094	0.9
568.17468	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01875	3.7
55.05520	3.9
55.30967	1.3
57.03444	2.3
61.02933	2.3
66.71309	1.3
67.05510	4.9
69.03429	9.0
69.07070	1.8
71.04998	6.0
71.30061	1.6
72.12140	1.5
73.02936	2.1
79.05493	13.7
81.03424	3.9
81.07066	7.3
81.76797	1.3
83.04987	3.1
85.02907	27.4
85.03426	1.8
85.06548	2.0
86.03272	1.8
87.42887	1.6
91.05490	5.0
93.03400	1.7
93.07040	29.8
95.04987	5.1
97.02903	9.8
97.06548	3.8
99.04459	15.3
101.64650	1.3
105.07030	72.3
106.07388	2.1
107.08592	79.0
108.08959	2.5
109.02884	4.3
109.06528	5.0
111.08099	1.4
117.07044	4.1
119.08588	23.7
121.06509	12.7
121.10149	31.4
127.03918	11.1
127.07614	2.1
131.08519	2.6
133.10147	1.8
135.08066	4.9
135.11694	22.6
137.05957	2.3
143.08557	1.5
145.04956	9.3
145.06471	1.3
145.10123	39.3
146.10475	2.4
149.05959	1.9
149.09639	4.2
161.09656	2.5
163.06110	2.6
163.11189	100.0
164.11545	4.7
173.09644	5.1
180.08696	2.6
181.12241	42.5
182.12607	2.0
189.09099	2.1
191.10677	60.4
192.10974	3.5
209.11717	63.2
209.92032	1.5
210.12022	1.9
227.12784	89.5
228.13173	5.4
247.19704	1.8
335.14871	3.8
353.15994	3.5
473.21506	2.1
478.28812	2.4
568.24042	1.9
569.25854	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52674	2.8
67.05524	3.7
69.07082	3.6
73.92317	2.4
76.44022	2.4
79.05496	4.1
81.03384	2.2
81.07050	7.0
85.02909	6.3
91.05479	11.5
93.07063	5.7
95.04965	16.7
97.06538	2.7
99.04453	3.6
103.05499	4.6
105.07032	7.0
107.04971	5.3
107.08685	3.4
109.06513	5.6
111.08105	2.7
115.05454	2.2
119.08597	3.9
121.06516	9.1
123.04449	11.6
123.08064	2.3
123.20298	2.8
124.05223	8.1
125.05981	3.5
131.08563	3.9
135.08083	7.5
136.05193	3.6
137.05975	6.3
138.06351	3.0
139.07532	20.3
140.04680	4.1
141.05519	3.1
143.08595	4.8
145.06416	2.7
145.10188	2.8
147.08084	2.5
150.06740	2.5
151.07539	77.2
152.04695	3.2
152.07909	2.3
155.07063	15.9
163.07611	6.0
165.05461	6.3
165.09114	21.6
166.06299	7.1
167.07031	100.0
168.07365	8.0
169.07530	4.2
171.08032	3.7
171.11812	3.1
172.12076	2.4
173.09627	7.7
179.10670	14.9
181.04980	6.8
181.08591	53.7
183.06522	18.6
186.10367	13.5
187.07523	6.8
191.10696	6.9
195.10176	15.3
201.09132	18.3
202.09857	27.3
203.10304	2.8
217.12247	72.5
218.12524	3.6
233.11662	14.2
235.13257	36.3
251.12772	29.6
259.28195	2.6
265.10712	5.5
266.11023	7.2
267.11237	5.9
371.18515	53.8
372.18948	4.5
389.19452	17.8
469.25558	5.0
470.26019	3.5
471.26691	26.5
495.23416	4.2
497.24347	30.8
515.25427	43.6
568.21979	3.1
568.30457	4.4
587.85577	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95124	0.7
55.05502	0.9
59.93453	0.9
67.05497	0.9
69.03421	1.8
81.03418	1.2
81.07038	2.1
85.02888	5.4
91.05473	1.5
93.07049	1.3
95.08585	1.3
97.02894	2.2
99.04429	1.1
105.07030	1.2
109.06479	0.9
119.08583	1.3
123.04445	0.9
131.08589	1.3
133.06523	0.8
137.05974	7.3
139.07529	1.8
142.07928	0.8
143.08594	1.0
145.04945	0.9
145.06517	1.8
147.08057	0.9
151.03899	2.2
151.07549	1.8
163.07588	0.9
165.05563	0.9
165.09128	1.3
167.07050	6.2
168.07397	1.2
169.08597	1.1
171.08040	2.6
175.11226	1.5
176.11516	1.1
181.04865	0.8
181.08638	4.6
184.05200	2.5
188.08365	1.5
195.08281	1.1
195.10184	3.3
197.06030	1.6
198.06807	1.8
199.07509	5.2
203.10632	5.6
205.08490	1.0
209.11742	0.9
211.07626	0.9
212.04800	1.0
213.05449	1.7
213.09009	1.0
219.10199	1.3
221.11749	4.2
223.07510	0.8
225.33572	0.8
226.06190	3.8
227.06996	16.8
228.07773	1.5
229.04999	1.9
235.13310	1.1
239.10809	1.0
240.07706	0.8
241.08647	3.2
243.06572	2.6
244.07256	3.7
254.05743	1.3
255.06511	8.2
255.10187	1.4
257.04404	1.1
257.08075	2.3
258.08893	0.8
259.09665	4.8
265.12033	1.4
265.14539	1.1
266.10971	1.5
267.10995	1.2
269.08087	2.5
270.08728	0.9
272.06766	2.6
273.07574	3.3
278.09134	0.9
282.12573	0.9
283.09628	2.1
286.08414	1.2
287.09152	13.0
288.09836	7.2
289.10623	1.2
293.11557	1.0
297.14807	2.5
301.10663	2.5
311.12881	1.6
319.11740	2.3
325.14310	9.9
326.15015	2.6
329.17380	1.2
357.16953	6.7
371.18478	2.2
374.17172	2.5
389.19562	100.0
390.19882	7.2
455.24112	1.4
456.24390	1.6
457.24881	11.2
471.27026	3.8
487.25851	2.1
497.24664	1.7
515.25928	1.5
568.22192	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31622	2.6
65.05398	2.6
66.74882	2.9
67.88033	2.9
69.03428	100.0
70.58177	6.4
79.05472	4.5
81.07054	6.2
93.07040	4.2
95.08592	6.4
105.07040	5.5
107.04991	3.7
107.08552	3.0
109.06462	4.1
111.08110	6.0
119.08533	3.4
121.06474	3.8
123.08076	7.1
131.08609	3.1
135.08122	2.6
137.05965	3.5
139.07530	96.3
140.07874	3.9
143.08601	3.6
145.06561	2.9
145.10153	4.3
147.08032	3.9
155.08569	3.1
171.07979	3.0
173.09641	4.0
175.07555	6.4
183.11812	4.7
187.07539	5.9
190.45094	2.5
193.08629	4.7
205.08557	3.7
207.11839	3.4
211.09531	4.2
235.11441	3.1
237.09143	3.4
247.11270	2.6
253.12303	3.7
261.12756	3.8
279.13797	7.4
281.11740	5.5
281.15390	3.3
283.13245	4.0
292.84747	2.9
297.14850	5.6
299.12836	4.8
306.00864	3.0
307.13245	8.0
325.14294	19.3
343.15494	7.9
347.16388	3.6
359.14868	3.6
367.15320	3.2
373.17871	5.5
385.16556	15.2
391.18970	7.0
401.17410	4.8
403.17612	26.9
409.20157	3.1
419.18683	20.4
433.20129	4.9
437.19583	49.0
438.19846	5.5
451.20856	10.2
455.20660	27.9
461.19403	4.9
471.23309	3.9
473.21625	10.7
474.44437	3.4
479.20615	24.5
497.21515	14.8
515.22607	6.0
533.23840	4.0
568.14722	11.1
568.23883	16.7
569.25385	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70736	1.3
60.18312	1.3
62.47946	1.2
69.03431	3.7
70.19078	2.5
70.19431	2.6
71.04993	4.9
81.07085	2.4
85.02896	6.1
86.09714	3.7
104.10751	6.0
105.06992	1.4
109.06528	1.9
119.08578	2.2
121.06485	1.5
135.08102	1.5
137.05989	3.9
139.07549	3.6
149.06093	1.4
151.03929	2.1
167.06992	1.4
179.07095	1.4
184.07341	5.4
222.13718	1.5
243.07182	1.3
253.08568	2.5
263.10715	1.6
267.06479	3.4
273.14572	1.8
280.11096	1.9
281.08154	2.3
281.11664	1.5
285.07693	2.1
289.07059	1.8
291.09958	1.8
295.13242	3.1
299.09232	2.7
299.77686	1.6
304.09335	2.7
311.09070	1.8
312.13141	1.4
313.10544	3.1
314.11093	1.6
317.08228	7.2
318.08304	2.3
318.11334	2.1
323.12689	6.9
325.14594	1.5
327.15839	2.0
331.11810	2.6
345.13446	2.7
355.15421	13.2
356.15863	3.2
372.15631	2.8
387.17963	44.8
388.18463	3.0
400.64322	1.6
455.23224	1.8
458.66339	1.5
474.25482	6.0
479.23291	1.9
497.22418	4.1
515.24683	4.4
524.22504	1.6
533.24091	8.9
550.20715	1.6
568.22516	100.0
569.23621	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32917	2.1
53.84355	2.1
57.03429	9.8
58.84657	2.3
61.99995	2.0
69.03432	22.0
69.31924	11.1
73.02934	3.7
75.04487	17.9
81.07041	4.1
86.09692	4.3
91.05467	3.3
93.07047	2.1
95.04979	3.2
98.23486	3.1
100.32537	2.2
104.10748	6.1
105.06979	4.8
109.06546	4.7
119.08611	2.9
123.08051	3.6
125.00063	3.1
135.08025	2.9
136.46384	2.4
137.05963	8.1
139.07532	16.3
143.08502	2.6
145.10158	3.5
145.99396	2.3
151.03848	2.4
151.07532	4.1
153.05275	2.5
159.08127	3.7
161.05948	2.5
163.07520	2.7
164.09134	3.3
167.07123	3.1
173.09583	2.7
177.05537	2.3
183.08072	2.3
184.07318	16.9
187.07491	4.3
191.06961	3.6
195.07999	2.4
197.09642	3.3
209.09622	2.8
211.07516	3.3
225.09137	6.1
235.11131	3.8
239.07014	3.5
239.10469	3.1
243.06691	3.3
253.08495	3.2
261.80396	2.6
265.08667	4.5
271.09473	3.0
281.08081	6.2
281.11505	4.6
285.07394	3.2
291.10028	3.7
295.13254	8.0
297.11395	4.1
298.08463	4.2
299.09152	5.1
303.08469	3.3
304.09384	5.0
309.11209	4.2
313.10724	5.4
318.10971	6.1
323.12653	10.9
324.13647	4.9
325.10522	3.6
325.14258	3.6
327.15897	3.3
331.11771	5.3
340.13065	3.9
341.13757	4.8
355.15381	32.5
356.16058	7.7
373.17624	4.2
385.16425	3.0
387.18015	100.0
388.18283	7.4
407.18567	5.1
419.18658	6.2
425.19586	3.0
437.19565	9.5
451.20844	2.9
455.20578	4.9
461.20142	3.7
469.22122	2.9
473.21530	3.0
479.20465	7.5
497.21591	11.7
515.22467	5.5
533.23755	16.7
550.20996	8.1
568.22388	70.7
569.16797	63.9
569.24194	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05532	0.7
60.08172	1.4
67.05521	0.8
69.03418	1.2
69.07092	0.7
76.02769	0.7
79.05506	0.7
81.07059	1.0
85.02908	2.7
86.09699	5.5
91.05483	1.1
93.07061	0.8
97.02872	0.8
98.22466	0.7
98.98478	1.0
100.81486	0.6
104.10759	1.1
105.07059	0.8
107.08630	0.9
109.06526	0.8
119.08597	0.7
123.04420	1.0
125.00020	3.6
133.06557	1.7
137.05972	4.6
143.08588	2.0
145.06441	0.8
145.10059	1.6
151.07542	17.2
160.08789	0.7
167.07039	3.8
171.08073	0.7
175.07648	1.2
175.11205	2.5
177.09117	0.8
181.08624	1.2
184.05568	0.9
184.07346	20.0
185.06067	1.0
185.07793	0.9
188.08301	1.7
189.09137	1.3
195.10283	1.5
196.05200	0.7
197.05945	1.3
198.06790	2.1
199.07542	5.9
201.05473	0.7
203.10632	2.8
205.08615	1.4
211.07588	0.9
212.04756	2.1
213.05504	1.3
215.07021	0.8
219.10129	1.9
220.11041	0.8
221.11765	2.3
226.06248	3.9
227.07030	16.9
227.10573	1.1
228.07768	1.7
229.04977	2.4
235.13278	27.5
236.13695	1.2
241.08586	4.7
242.09279	0.7
243.06502	1.1
244.07248	3.9
245.08052	1.7
247.99266	0.7
254.05681	1.5
255.06479	7.4
255.10280	1.6
256.06952	0.8
257.08087	3.0
259.09821	5.2
265.12125	1.7
268.10812	1.0
269.08075	2.9
269.11334	0.8
270.08786	0.8
271.09705	1.0
272.06839	3.0
273.07651	4.1
283.09570	1.6
287.09103	13.8
288.09900	6.4
293.11673	1.4
297.14880	2.0
301.10706	2.9
311.12741	1.2
317.10141	1.2
319.11591	3.7
325.14313	10.8
326.15131	2.7
329.17703	1.1
357.16928	6.9
374.17468	2.0
389.19565	100.0
390.19879	7.1
449.90506	0.8
471.21588	1.0
568.23810	22.6
568.34113	3.3
569.29950	38.8
590.17773	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
55.05504	0.9
57.03443	0.4
60.58893	0.4
61.07515	0.4
67.05503	0.7
69.07062	0.9
71.30280	0.5
81.03423	0.5
85.02903	2.0
86.09697	1.6
93.07009	0.5
95.08552	0.5
97.02916	0.9
101.06007	0.4
104.10721	1.9
107.08580	0.4
109.06496	0.4
118.26557	0.4
119.08607	0.5
121.06483	0.5
125.00020	1.1
137.05948	1.2
145.04926	0.6
161.09656	0.6
165.06982	0.5
167.07036	3.7
180.08702	0.9
181.06454	0.6
181.08646	0.7
184.05182	1.3
184.07321	4.4
185.05904	0.5
189.09077	0.7
197.05925	0.7
198.06752	1.7
199.07553	5.1
201.05508	0.8
203.10770	0.5
205.08626	0.6
207.10037	0.4
211.07555	0.8
212.04675	1.1
212.08174	0.5
213.05444	1.1
213.09128	1.4
214.06119	0.5
215.07065	0.5
221.11620	0.6
222.10420	0.4
223.11166	0.6
225.09242	0.8
226.06291	3.4
227.07018	18.3
228.07660	1.6
229.05014	1.0
229.08577	0.9
233.09528	0.5
233.11882	0.6
237.12555	0.5
239.07016	0.5
239.10722	0.7
241.04901	0.6
241.08592	5.1
242.05635	0.7
242.09251	0.5
243.06538	1.4
244.07327	3.3
245.08006	1.7
247.13408	0.6
249.14934	1.9
251.07039	0.8
254.05734	0.8
255.06487	4.5
255.10170	1.7
256.07172	1.0
257.04446	0.7
257.08118	2.5
258.08838	0.5
259.09628	4.6
265.12204	1.7
267.10245	0.9
268.07346	0.5
269.08096	4.5
269.11588	0.7
270.08765	0.7
271.06003	0.8
271.09689	0.5
272.06851	2.5
273.07562	4.8
273.10568	0.7
278.09271	0.7
282.08868	0.6
282.12457	0.6
283.09784	2.1
283.12653	0.5
286.08347	1.2
287.09134	13.0
287.12369	0.9
288.09827	7.8
289.10590	1.2
293.11795	1.0
294.12683	0.6
295.09659	1.1
297.14810	3.9
299.08853	0.6
301.10638	3.1
311.12726	1.2
314.11365	0.7
315.12259	0.5
317.10193	1.6
319.11768	1.9
325.14331	12.6
326.14941	1.8
327.12497	0.5
328.13025	0.5
329.17377	1.2
357.16934	3.1
358.17548	0.5
374.17200	4.1
375.18152	0.4
389.19562	100.0
390.19888	7.2
464.24661	0.7
506.25742	0.5
568.20911	5.9
569.28735	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.6
55.05499	3.6
60.08168	5.2
61.60788	1.3
64.95952	1.3
65.02839	1.5
67.05498	3.0
69.03440	5.3
69.07055	2.8
69.26164	6.1
69.26565	4.2
71.04997	2.9
71.07375	4.5
79.05501	6.0
81.03444	1.8
81.07057	8.5
83.04998	2.9
85.02914	2.6
86.09705	28.4
91.05470	14.1
93.07061	6.2
95.04964	5.8
95.08624	6.6
97.06550	6.0
98.98479	4.0
99.04455	1.6
103.05475	2.5
104.10764	3.6
105.04533	1.4
105.07034	12.8
107.08606	6.4
109.06532	10.9
109.10158	2.1
110.06871	2.0
111.04430	2.3
111.08095	8.2
115.05443	4.0
117.07039	10.1
119.04919	3.7
119.08543	7.1
121.06525	5.5
121.10136	3.2
123.08083	7.0
123.11727	2.3
124.99999	21.4
127.03939	1.7
128.06239	8.9
129.07014	10.6
131.04964	1.8
131.08569	11.4
133.06516	3.1
133.10147	3.7
134.71967	1.5
135.08081	4.6
135.11693	1.6
137.05980	5.3
137.09648	3.8
139.07512	2.9
141.06999	10.1
142.07761	8.4
143.08569	20.6
145.06487	5.9
145.10109	9.1
146.06839	2.0
147.04404	13.7
147.08070	4.6
147.11664	2.8
149.09673	3.4
151.03897	3.1
151.07570	1.6
153.07022	3.6
155.07237	2.3
155.08574	8.7
156.09352	5.3
157.06506	4.7
157.10144	14.2
159.08078	13.3
159.11720	9.4
161.06073	2.1
161.09619	6.0
163.07602	1.6
163.11183	2.0
165.05595	2.4
165.07027	3.9
166.07742	2.3
167.07063	3.5
167.08565	3.4
168.09386	5.2
169.06514	6.0
169.10086	8.9
171.08095	5.9
171.11713	6.9
173.06024	2.5
173.09642	6.3
173.13370	1.7
174.10304	2.0
175.07545	2.5
175.11183	5.3
176.07903	1.9
177.09145	2.5
179.08554	1.5
180.68196	1.4
181.10106	12.6
182.10773	1.6
183.11699	9.9
184.07347	100.0
185.07884	2.5
185.09586	18.0
185.13234	1.9
186.10223	1.5
187.07565	4.1
187.11221	5.8
189.09093	3.9
189.12834	1.8
191.06981	1.6
193.08655	2.2
195.11719	3.4
197.09662	2.5
199.07408	1.7
199.11183	14.5
201.09209	2.1
201.12772	9.5
202.13571	2.3
203.06961	1.9
203.10648	3.0
205.08638	6.7
209.09668	6.0
211.11140	1.9
213.09113	4.9
215.10742	3.1
217.08633	1.8
223.09674	2.7
225.09058	1.7
227.10667	20.1
228.11435	6.4
233.13341	1.8
239.14282	1.8
245.11580	9.4
255.16911	1.6
323.12662	2.0
331.15686	1.6
337.18100	1.5
353.22458	1.5
363.15836	1.9
387.18262	1.9
389.16095	1.7
395.18396	3.5
411.21896	2.0
417.15570	2.1
425.22803	2.2
435.21362	3.1
437.19846	2.2
439.17322	6.0
439.24576	2.0
441.22882	3.5
442.23099	3.7
443.23349	13.5
451.21252	3.8
453.22632	4.6
455.20261	7.2
457.18463	5.1
461.19769	4.8
469.22113	6.1
471.23895	25.2
472.23621	2.3
479.20618	18.3
494.19489	2.4
497.21655	67.3
498.22006	6.4
515.22766	77.2
516.22955	9.8
533.23920	9.1
568.24048	3.8
568.32666	1.7
569.25433	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80050	2.4
62.80293	2.6
69.03429	87.6
70.41138	7.3
70.41466	2.5
79.05487	4.4
81.07071	5.5
89.60913	2.6
90.18396	2.2
91.05501	4.1
91.61084	2.3
93.07059	3.8
95.08596	4.3
98.23272	3.0
101.10464	2.5
105.07024	7.2
107.04955	2.8
109.06506	4.0
111.08099	6.8
121.06471	3.7
121.10130	3.5
123.08060	7.6
131.08557	2.7
133.06505	4.9
137.06003	6.6
139.07539	100.0
141.07062	3.0
143.08585	2.9
147.78818	2.5
159.08032	5.9
161.09569	5.5
165.09106	3.2
171.08084	3.9
175.07526	6.1
177.09056	3.0
185.09590	4.3
187.07518	6.0
189.09224	2.8
193.08592	3.8
193.10181	4.8
199.11214	2.6
211.09595	7.5
211.11287	4.8
215.08513	2.7
215.10474	4.3
217.08362	3.3
219.10011	3.3
221.09778	2.8
246.33665	3.0
251.14320	4.0
253.12317	6.2
261.13022	5.4
263.10745	4.3
268.21869	2.8
279.13757	11.8
281.11722	8.0
281.15451	3.4
289.12253	3.4
299.12689	3.7
307.13223	10.4
318.08313	3.4
323.16260	4.0
325.14343	17.7
335.09412	4.0
341.13843	3.2
343.15295	11.0
367.15393	4.4
373.17984	6.6
385.16476	15.9
391.19000	8.6
395.18698	3.5
401.17380	6.0
403.17444	29.2
404.17654	3.9
409.19998	3.9
411.32169	3.0
416.53934	2.9
419.18442	21.8
433.19794	3.6
437.19571	46.6
438.19775	7.5
451.21112	11.9
455.20691	21.4
456.20740	3.4
461.19830	6.8
473.21411	9.3
479.20627	21.8
497.21750	18.3
515.22424	5.3
533.23633	4.4
568.14618	14.3
568.23444	22.9
569.25415	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.3
67.05505	15.9
69.03417	10.1
69.89272	33.0
79.05495	16.4
81.07060	18.6
83.04968	9.2
91.05484	21.9
93.07038	9.6
95.04955	6.3
95.08617	16.3
97.02902	32.4
98.90378	6.8
105.07018	17.5
107.08613	8.8
109.06567	10.5
111.04471	6.7
113.51907	8.0
115.05507	9.5
117.07043	11.6
119.08602	18.6
121.06532	8.0
123.08151	8.6
128.06244	10.2
129.06996	15.1
130.71182	6.1
131.08583	17.2
133.10143	11.3
137.05986	8.6
141.06972	11.2
142.07782	10.4
143.08580	17.1
145.06502	6.8
145.10138	13.8
153.06960	12.0
155.08557	49.5
156.09357	9.7
157.10133	17.6
159.08118	12.3
165.07011	9.3
167.08490	11.9
169.10222	35.3
170.18617	7.2
171.11702	15.7
179.08606	17.6
181.10135	19.4
183.11653	16.2
191.08609	7.0
192.09393	11.4
193.10158	22.4
194.10927	15.4
195.08064	18.1
195.11699	15.5
197.09636	9.5
197.13319	10.9
199.11188	10.1
203.08563	7.8
205.10182	12.8
206.10997	8.2
207.11673	31.4
209.13252	29.0
211.11241	13.4
211.14534	7.2
217.10168	16.8
219.11644	17.6
219.91539	7.2
220.12503	9.5
221.13286	25.4
223.11128	10.8
223.14825	10.4
229.10234	8.6
230.10822	9.4
231.11667	16.4
232.12450	7.2
233.13284	15.0
235.11336	7.6
237.12727	12.0
243.11684	17.5
244.12486	16.3
245.13292	20.2
246.13739	7.8
247.15005	9.6
248.15646	7.3
254.13141	22.7
255.13820	27.9
257.13217	11.2
259.14883	22.8
261.16223	9.2
261.50778	6.5
264.14999	6.8
267.13837	19.7
273.16144	7.6
275.18005	10.0
285.16635	7.6
287.17706	7.8
293.19043	8.0
301.19370	10.4
305.15497	6.8
315.17267	9.4
317.15607	8.4
319.16843	18.8
331.20566	10.6
336.26065	6.2
347.20096	11.4
348.20673	9.3
349.21649	20.9
359.19925	11.5
360.20728	8.7
377.21054	20.0
384.40625	7.2
407.22424	7.4
421.23892	12.6
428.75320	7.8
437.23285	37.1
438.74768	8.6
445.23602	7.3
447.25043	9.0
455.22153	9.2
473.23489	37.0
491.24194	77.3
492.24036	8.6
533.25171	29.6
551.26447	100.0
552.26166	9.8
568.23059	68.0
568.31055	14.5
569.24414	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.38973	1.7
69.11420	18.6
79.05484	2.6
83.52399	1.9
91.05484	11.5
105.03371	5.7
105.07033	50.0
106.60280	2.2
176.23145	1.9
210.91507	2.4
211.07574	2.3
234.05493	1.9
241.04526	2.1
241.08595	3.5
243.06456	2.6
253.08659	2.3
255.06607	2.6
257.08133	2.4
257.37473	2.3
263.10660	4.4
264.11389	2.7
269.08090	4.8
270.08792	2.4
271.09680	2.4
278.13113	2.4
278.80399	2.5
279.10086	4.6
280.10968	3.0
281.08032	3.7
282.09006	5.3
284.10410	3.4
285.07492	4.1
291.10236	3.0
293.11871	3.2
294.12396	2.8
295.09863	3.0
295.13019	9.5
296.10397	3.8
298.08142	4.0
299.09109	8.8
299.12433	2.9
301.07309	2.8
301.10736	4.4
302.07965	3.3
303.08542	2.5
306.12598	3.2
307.09680	3.9
307.12997	2.2
308.10629	4.6
309.11307	3.9
309.14780	4.6
311.09158	2.4
311.12796	3.5
312.10034	4.9
313.10648	10.4
314.11371	4.5
315.08691	2.7
317.10156	8.2
318.10995	10.5
322.11978	3.0
323.12805	14.8
324.13480	3.1
325.10880	2.5
327.12128	6.5
328.12845	4.8
330.10977	5.1
331.11624	3.6
332.12521	10.4
337.14178	17.4
338.14935	10.5
339.12173	4.8
339.15659	4.3
341.17392	4.6
345.13266	8.7
354.14597	5.6
355.15433	13.5
359.10995	3.6
359.14810	5.7
369.16995	24.5
370.17816	21.7
386.17242	7.0
401.19571	100.0
402.20081	5.1
454.18060	2.5
501.22910	5.8
502.23236	3.6
533.25342	91.2
534.25739	11.7
577.87543	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.7
55.01871	16.5
55.05514	15.5
64.94231	8.5
67.05511	25.2
68.31295	8.7
69.03433	25.2
71.20525	19.9
73.72641	8.3
74.72815	8.2
75.60089	8.3
79.05492	39.5
81.07055	93.3
83.04975	27.7
85.02913	10.4
91.05474	52.5
93.07039	23.5
95.04985	18.5
95.08643	15.6
97.02894	18.7
105.07018	42.0
107.04974	9.7
107.08621	12.6
109.06522	35.1
110.07773	7.5
112.44010	7.7
113.02370	8.9
115.05473	17.4
117.07030	15.7
119.08584	29.5
121.06522	18.6
121.10145	9.2
123.04421	11.3
125.05932	10.0
128.06221	24.1
129.07024	25.9
131.08582	26.9
133.06499	17.5
133.10155	11.6
135.08061	21.6
137.05983	84.3
141.06943	16.9
142.07768	15.4
143.08566	31.0
143.49579	8.5
145.06522	25.6
145.10141	26.2
147.08067	27.7
149.09647	16.1
151.07564	10.9
153.07028	11.8
155.08571	36.2
157.06497	18.3
157.10133	28.2
159.08089	38.8
159.11719	12.7
161.05981	9.8
161.09645	20.4
163.21393	8.3
165.07001	19.9
167.08559	24.6
169.10168	31.6
171.08096	24.7
171.11665	25.3
173.09644	27.8
174.10109	9.2
175.07541	17.6
175.11250	28.3
177.09050	9.0
178.07823	13.3
179.08586	26.2
180.09467	12.4
181.10143	26.1
182.07327	11.2
183.08107	15.7
185.09627	38.9
187.17126	8.2
189.09123	8.5
192.09190	12.7
193.10149	25.5
194.11023	12.4
195.08040	20.8
195.11676	25.0
196.08908	8.5
197.09653	20.2
199.11145	23.9
201.09157	10.9
203.10753	11.0
204.09500	11.3
205.10114	17.2
207.11653	21.2
208.09050	9.4
208.12411	13.6
209.09604	29.0
209.13284	26.7
210.10336	9.6
211.11201	19.3
211.14949	9.7
213.12709	11.1
217.10097	13.6
219.11755	16.1
221.09642	10.7
221.13226	10.0
222.10457	15.0
223.11211	29.5
223.14946	17.3
225.12747	13.9
231.11667	20.4
233.13092	20.6
235.11136	22.4
235.13263	23.6
237.12816	27.5
245.09663	10.3
245.13423	12.5
247.11214	24.5
247.14847	15.9
248.11945	14.5
251.14322	15.1
255.13878	16.2
257.13431	12.0
259.11279	15.6
259.14838	12.9
260.12006	14.2
263.10699	9.1
263.14301	13.7
265.12622	9.6
267.13919	10.4
271.11111	16.4
273.12650	13.4
275.14362	29.3
276.15176	9.2
285.12796	10.2
287.14166	12.6
289.15875	11.4
290.16412	12.4
299.14249	12.3
301.15826	10.8
303.13739	19.9
305.15305	22.4
313.16330	11.8
317.18906	16.6
335.16315	9.5
335.20087	16.3
345.18427	39.6
353.43991	9.3
363.19595	43.7
375.19412	25.5
381.20422	9.8
385.17749	11.4
389.21472	9.5
393.20703	24.9
405.20874	15.3
427.22577	22.5
437.21063	16.1
444.22287	12.2
445.23633	15.1
455.22278	61.1
473.23318	100.0
487.24878	25.3
490.23511	9.4
491.24155	78.2
505.26221	48.5
509.24850	11.2
515.24432	37.2
533.25543	47.3
551.26135	36.4
568.24957	80.0
569.27167	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22731	6.5
55.05529	7.4
57.03402	7.0
57.07059	7.8
63.66988	5.9
69.03435	57.4
69.07069	9.0
70.06574	10.0
71.23622	6.7
71.29675	6.5
79.05505	8.2
81.03396	7.0
81.07035	11.9
85.02890	48.8
91.05481	28.2
93.07034	9.2
95.08623	8.1
97.02908	12.5
105.07032	30.3
106.93656	6.3
107.08588	25.9
117.07023	6.5
119.08578	49.9
121.06493	7.5
121.10143	11.1
123.08051	5.9
123.11715	14.5
125.09630	7.4
129.07014	7.7
131.08548	34.7
133.10094	39.6
135.08063	16.8
137.05998	7.8
143.08557	19.4
144.08063	18.3
144.09245	7.2
145.04936	13.1
145.10132	15.4
147.11722	11.1
149.13290	9.4
158.10909	23.1
163.03888	7.2
173.13245	87.5
175.14821	74.2
181.08531	11.3
191.14326	100.0
209.15384	33.9
212.39177	6.5
213.09146	8.4
250.20300	6.2
258.08899	13.2
273.11237	27.8
325.10846	13.4
407.14563	15.6
560.02563	6.9
573.01837	6.6
589.34735	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.7
55.05507	9.7
57.03443	2.2
65.03938	1.5
66.05887	1.0
67.05514	6.7
69.03426	16.5
69.07054	3.0
69.71896	0.9
71.04992	2.8
71.30573	1.7
72.22176	1.1
74.48753	0.9
79.05482	6.7
81.07063	6.0
83.04967	6.9
86.09743	1.3
89.39989	0.9
91.05482	8.8
93.07057	8.2
95.04961	3.6
95.08593	7.3
97.02884	1.2
97.06499	1.5
97.26829	0.9
99.04469	4.9
100.50713	1.0
101.06020	6.2
105.07027	15.1
107.04939	3.0
107.08587	7.5
109.06506	6.2
109.10155	3.2
111.04427	2.3
111.08075	2.2
113.05965	1.6
117.07008	5.8
119.04940	1.2
119.08572	11.8
121.06501	4.4
121.10127	4.5
123.04446	3.6
123.08063	8.7
123.11682	1.2
125.05911	1.1
128.06219	3.0
129.05475	1.6
129.06995	4.0
131.04929	1.2
131.08568	8.6
133.06479	5.5
133.10112	7.5
135.08054	4.0
135.11708	2.2
137.05934	7.8
137.09630	2.1
139.07533	15.7
141.06924	2.4
141.09119	1.4
142.07788	4.1
143.08565	11.0
145.06454	3.1
145.10139	10.6
147.08023	5.7
147.11684	6.9
149.06001	3.2
149.09636	4.8
151.07520	4.5
155.08563	5.3
156.09312	3.0
157.06454	1.1
157.10124	8.2
158.07347	1.1
159.08098	3.1
159.11688	5.6
161.05969	4.5
161.09593	6.2
161.13293	2.0
163.07510	3.1
163.11205	1.9
165.07051	1.3
165.09134	3.6
167.07045	3.3
167.08463	1.4
168.09343	1.7
169.10126	7.0
171.08052	4.4
171.11722	7.4
173.05873	1.7
173.09627	4.9
173.13258	2.0
174.06824	1.6
175.07567	4.4
175.11137	8.7
177.09094	2.2
178.06194	1.1
179.07010	10.0
179.08502	2.3
179.10623	2.2
181.10132	2.5
183.11696	1.9
184.07295	2.5
185.09622	5.4
185.13310	2.8
187.07425	1.4
187.11168	6.2
187.14806	1.5
188.08275	1.0
189.09106	5.3
189.12752	8.6
191.10683	2.8
192.07658	1.1
192.09349	1.0
193.08600	4.8
193.10205	1.6
193.12196	2.0
195.08156	1.2
195.11794	2.8
197.09700	2.4
197.13206	3.5
199.11182	3.5
201.09128	2.9
201.12740	2.8
202.09987	1.0
203.10657	11.2
207.10040	5.9
209.09641	2.3
209.13342	2.5
210.10498	1.0
211.11220	2.4
213.09103	2.1
213.12761	2.6
215.10701	4.0
215.14224	1.4
217.12263	1.8
220.10933	1.2
221.11627	5.6
225.09091	1.1
227.10765	1.6
227.14508	1.5
229.12257	4.6
231.13744	2.2
235.13271	25.8
237.12622	1.4
239.10503	1.2
239.14420	1.1
243.13841	1.1
245.15417	1.2
249.11118	7.2
251.14397	1.6
255.13889	1.6
257.15411	2.4
261.12628	1.5
267.09445	2.0
267.12253	35.5
268.12607	1.8
269.15317	1.5
293.15335	2.0
295.16959	1.3
339.15930	2.0
357.17038	1.4
369.20496	1.8
389.19507	2.4
405.22488	3.1
423.21707	3.7
433.05576	1.1
433.23230	1.3
443.22214	1.7
451.24606	1.4
453.26303	4.6
457.26236	5.0
461.22894	2.3
467.24292	1.8
469.25650	1.6
471.27414	79.7
472.27756	8.4
473.23126	1.8
479.24506	7.9
487.26138	1.7
491.24609	1.3
495.23468	2.0
497.25339	79.3
498.25571	7.2
507.23370	1.3
515.26416	100.0
516.26532	11.1
523.22894	2.0
533.27112	4.0
541.24292	2.4
568.22430	11.9
568.31158	3.3
569.23059	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70845	0.4
52.55474	0.4
53.03921	0.4
55.01871	0.9
55.05502	1.4
57.03436	4.0
57.07067	0.6
60.47998	0.4
61.02911	1.8
67.05497	3.2
69.03082	0.5
69.03430	6.8
69.07061	2.7
69.27301	1.2
69.27711	1.5
70.06598	3.2
71.01354	0.8
71.04965	0.7
73.02919	11.5
79.05472	1.1
81.03400	1.0
81.07057	6.5
83.08602	0.8
85.02901	12.6
87.04472	0.7
91.03963	0.6
91.05482	2.3
93.07036	4.3
95.04944	0.5
95.08606	10.3
95.09223	0.7
96.08916	0.7
97.02888	10.3
97.06521	0.4
97.10166	0.8
99.04455	0.5
103.03899	0.7
105.07027	13.4
106.07298	0.5
107.08591	7.5
109.02872	1.0
109.09454	0.7
109.10155	11.6
113.09628	0.6
115.03920	5.8
119.08581	11.2
121.10142	6.1
123.11704	5.4
127.03913	3.8
130.06508	0.6
131.08519	0.7
133.04942	4.7
133.10126	8.4
135.11678	1.5
137.05968	0.7
145.04961	5.5
145.10139	1.0
147.11679	31.7
148.12035	1.2
149.13228	6.0
150.07545	0.5
151.03946	0.5
151.11063	0.6
157.07591	0.6
158.05971	0.9
158.95363	0.4
159.09178	0.5
159.11613	0.6
161.13249	7.3
163.06001	3.5
163.14815	1.5
165.12759	1.0
175.14801	1.3
203.17943	100.0
204.18259	5.2
205.19525	1.5
217.06876	0.5
221.18993	17.5
222.19354	0.6
223.05972	1.3
224.74072	0.4
239.20079	1.5
241.07043	1.4
259.08102	3.8
295.10266	3.7
297.08621	0.5
335.21912	0.7
353.23117	0.4
366.14487	0.7
383.24402	0.7
389.13229	1.0
407.14392	0.5
573.02069	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.8
55.05510	1.4
57.03441	4.1
61.02913	1.4
67.05498	2.4
69.03430	5.9
69.07054	1.7
70.06570	1.7
71.01377	1.0
71.29591	1.1
72.01652	0.6
73.02924	4.8
79.05482	1.7
81.07046	5.4
83.08620	0.8
85.02903	11.4
87.04461	1.8
91.05470	3.9
93.07055	3.8
95.08611	9.2
97.02901	6.2
103.05443	1.5
105.07026	14.9
106.07382	1.0
107.04990	0.7
107.08597	6.1
109.02813	1.2
109.10155	8.6
115.03925	3.7
119.07789	0.8
119.08584	9.6
121.10142	4.4
123.11709	4.3
127.03898	3.0
131.08519	1.2
133.04999	5.0
133.06499	14.6
133.10124	7.1
135.11703	1.0
137.05977	24.1
138.06337	0.9
144.08087	1.3
145.04967	2.9
145.10080	0.9
147.11681	29.9
148.12016	1.2
149.13229	3.9
161.13271	5.4
163.06003	2.9
165.09122	8.4
166.08589	0.9
173.13222	0.8
175.14822	1.3
183.10204	4.7
193.12276	0.8
194.16756	0.8
203.17950	100.0
204.18263	6.0
221.18985	9.0
239.12741	1.6
257.13840	22.9
258.14203	1.0
295.10178	1.5
308.40594	0.7
371.15250	0.8
389.13403	2.5
404.88782	0.8
407.14249	1.0
568.13849	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47039	3.4
54.85981	2.8
55.05510	5.6
57.07080	16.0
62.25903	2.6
67.05503	9.4
69.07071	4.9
69.95229	2.9
70.06592	7.3
71.08644	5.2
71.22427	5.6
81.07062	21.0
85.10192	4.1
88.07646	10.8
91.05496	6.7
93.07053	3.8
95.08609	35.0
102.09203	12.3
105.07034	26.9
107.08623	5.9
109.10172	14.1
119.08578	21.2
121.10173	6.0
123.11744	3.6
133.10158	10.6
143.21844	3.1
145.10095	3.8
147.11684	28.6
161.13254	9.0
175.11212	4.6
203.17961	100.0
204.18303	5.5
207.13829	8.3
278.82480	2.7
283.26257	8.0
284.29434	18.0
311.29391	25.1
312.32654	7.4
331.19116	4.5
415.23447	3.1
438.37411	3.3
518.24335	3.4
547.98071	3.3
568.48175	5.9
568.56683	92.3
569.56934	4.9
599.00391	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
54.18840	1.6
55.05515	7.0
57.07081	7.0
63.65252	1.6
67.05513	8.1
69.07066	8.2
70.06599	4.1
71.08635	2.8
73.58998	1.8
79.05491	7.1
81.07056	43.7
83.08617	3.9
88.07619	5.2
91.05480	6.1
93.07051	7.1
94.07384	1.7
95.08612	40.4
96.08932	2.7
97.10195	2.0
98.59650	1.6
102.09210	1.8
105.07031	35.7
106.07365	1.7
107.08611	10.3
109.10170	15.4
117.07029	3.5
119.08579	26.7
121.10122	11.4
123.11707	7.0
131.08582	4.3
133.10144	19.9
137.13271	7.1
143.08594	3.1
145.02876	4.1
145.10168	6.0
147.11691	30.1
157.10129	3.0
159.11691	3.7
161.13278	8.0
166.09427	2.4
175.14828	5.1
177.05501	11.1
195.06525	4.2
203.17964	100.0
204.18282	4.2
221.15292	4.0
222.15715	2.5
283.26349	4.2
284.29413	7.8
311.29413	8.6
312.32578	2.5
338.05896	2.1
568.41949	6.2
568.56476	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.2
57.07067	10.4
67.05501	9.0
69.07063	9.4
69.89723	2.5
70.06582	5.7
71.08620	4.4
71.31763	3.0
71.32131	2.6
79.05497	5.6
81.07054	39.2
82.06583	2.4
83.08638	2.6
88.07624	7.8
91.05472	7.4
93.07058	9.8
95.08604	28.0
102.09184	6.8
105.07035	32.9
107.08605	9.1
108.87516	2.5
109.10164	9.7
117.07056	2.9
119.08574	25.7
121.10176	6.9
123.11732	4.8
124.08920	2.5
131.08615	2.9
133.10139	13.5
135.11679	4.2
137.13229	20.2
145.10133	3.3
147.11671	25.2
152.87741	2.1
161.13255	4.2
175.14914	3.2
177.05515	3.0
195.06564	4.1
203.17941	100.0
204.18372	5.5
231.34875	2.0
232.32256	2.2
283.26404	5.2
284.29501	16.2
311.29428	19.0
312.32742	4.5
432.58072	2.8
468.24097	2.9
505.58463	2.2
568.56531	50.8
569.57184	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.3
55.05509	8.0
57.07079	15.6
61.85569	3.3
67.05508	20.6
69.07079	12.9
70.06590	10.4
70.55268	3.0
71.08612	3.4
79.05484	28.5
81.07061	38.3
83.08633	6.5
88.07645	9.4
91.05479	47.5
92.06265	5.2
93.07046	50.3
95.04971	38.7
95.08598	26.9
97.10176	4.4
105.07033	92.4
106.07849	4.0
107.08579	38.8
109.06522	4.8
109.10152	16.2
115.05431	6.9
116.06206	3.5
117.07016	28.8
119.08573	100.0
120.09388	5.6
121.10164	29.0
123.08065	20.3
123.11744	5.1
128.06238	14.8
129.07034	17.3
129.29918	3.4
130.07790	7.1
131.08568	42.1
132.09355	10.2
133.10127	44.5
134.10904	5.0
135.08084	4.6
135.11693	13.1
137.09633	7.6
138.10330	5.2
141.06987	5.1
142.07776	21.2
143.08554	37.9
144.09370	15.1
145.10117	84.4
147.08049	4.5
147.11700	20.7
151.11198	5.3
153.06947	4.7
155.08569	16.1
156.09377	17.4
157.10143	46.9
158.10774	5.7
159.11691	36.9
161.13303	6.4
165.07001	4.3
167.08591	5.7
168.09344	7.0
169.10161	28.8
170.10861	7.7
171.11732	27.2
172.12485	5.7
173.13240	22.8
175.14809	17.7
177.12730	4.9
179.08615	6.4
180.09344	4.0
181.10106	16.6
181.14612	4.2
182.10870	6.0
183.11656	20.0
184.12466	6.6
185.13287	23.9
186.14098	5.4
187.14833	16.6
191.14357	10.9
193.10164	5.3
194.10869	6.3
195.11719	13.2
196.12402	7.3
197.13295	23.5
198.14000	5.2
199.14774	8.4
201.16396	8.6
207.11636	7.2
209.13312	17.6
211.14896	13.3
220.12561	4.3
221.13318	11.0
223.14844	9.6
224.15524	5.5
225.16470	6.8
231.11710	4.4
235.14844	6.7
237.16393	6.3
239.18040	6.4
251.18121	4.3
259.20447	3.8
283.20618	4.3
283.26257	4.7
284.29434	14.5
311.29446	11.5
312.32684	6.0
323.23611	5.5
337.25186	4.3
338.26019	33.6
349.25601	4.9
422.10626	3.6
430.32376	8.5
476.36386	11.6
568.42505	14.2
568.56561	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	3.7
55.05507	7.9
57.02082	3.7
57.07077	22.0
67.05511	19.6
69.07062	17.7
69.38674	3.8
70.06594	10.3
71.08629	6.4
73.77287	4.3
79.05505	17.6
81.07061	27.4
83.08643	4.0
88.07642	15.6
91.05479	39.1
93.07047	41.8
95.04964	31.1
95.08613	26.1
98.03905	3.6
102.09172	8.9
105.07035	77.4
107.08598	36.7
108.82887	3.7
109.06557	4.7
109.10155	16.1
115.05435	3.8
117.07037	20.5
119.08581	87.7
120.09404	6.1
121.10169	30.5
123.08084	9.5
123.11716	3.9
128.06256	10.7
129.07013	15.3
130.07767	7.8
131.08574	40.4
131.96623	3.9
132.09390	5.8
133.10139	47.1
134.10889	5.5
135.11665	18.2
137.09599	8.4
138.10449	6.5
141.07011	4.9
142.07788	16.3
143.08551	31.3
144.09351	12.8
145.10118	73.6
146.10867	5.0
147.11710	15.2
149.09703	4.5
155.08545	11.8
156.09354	14.8
157.10155	42.8
158.10869	12.4
159.11707	34.4
159.76245	3.8
161.09618	8.6
161.13301	5.9
167.08582	7.4
169.10152	16.4
170.10837	5.4
171.11722	36.8
172.12613	4.3
173.13242	29.6
175.14787	19.3
179.08537	9.3
181.10150	12.3
183.11742	21.9
185.13235	29.5
186.13956	6.5
187.14810	10.9
191.14325	10.9
193.10107	6.7
195.11710	15.5
197.13237	26.9
198.14059	6.4
199.14859	14.3
201.16460	7.0
205.15927	5.5
207.11710	9.1
209.13229	25.7
211.14877	15.7
213.16296	4.7
219.11644	5.9
220.12524	5.8
221.13264	7.5
223.14850	6.5
224.15471	5.0
225.16386	9.6
226.17062	5.5
233.13109	4.2
237.16409	10.3
239.17982	8.6
249.16367	7.2
251.17807	4.3
261.16418	4.3
265.19641	5.6
279.97644	3.8
283.26270	15.6
284.29483	27.8
311.29422	33.3
312.32587	10.7
323.23672	7.2
330.32999	4.1
338.26068	38.6
403.10831	4.6
430.32141	11.9
467.81445	4.0
476.36496	17.2
568.43463	23.2
568.56592	100.0
577.21503	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.9
52.73209	1.7
53.03941	3.5
55.05514	10.6
57.07074	5.9
59.04999	1.7
59.34074	1.5
67.05509	16.5
69.03389	2.0
69.07083	12.5
69.32687	7.4
69.33091	3.7
77.03917	2.5
79.05131	1.8
79.05502	20.3
80.06277	4.3
80.78540	1.4
81.07057	33.6
83.04984	2.9
83.08607	4.4
84.01769	1.6
85.06551	3.0
90.72661	1.5
91.05484	36.9
93.06467	2.9
93.07050	49.5
95.04974	35.1
95.08607	26.1
97.06537	2.2
98.57738	1.6
103.05435	3.0
105.07033	75.2
106.07813	3.8
107.08600	46.0
109.06543	2.8
109.10174	19.6
111.08070	2.3
115.05437	5.6
117.07026	25.7
118.07799	2.9
119.08588	100.0
120.09335	7.0
121.06548	2.2
121.10148	32.7
123.08066	11.4
123.11691	5.2
128.06194	8.6
129.07005	17.5
130.07773	9.1
131.08569	54.5
132.09428	9.8
133.10136	52.7
134.10889	6.5
135.08044	5.3
135.11697	18.9
137.09642	5.3
138.10336	7.9
139.11102	2.2
141.06967	8.2
141.68364	1.7
142.07787	12.9
143.08577	43.4
144.09325	15.2
144.11528	1.6
145.10120	86.1
146.10876	3.7
147.08032	2.5
147.11700	21.7
149.09645	5.7
149.13298	3.4
151.11163	3.6
153.06979	2.4
154.07759	2.8
155.08568	14.9
156.09340	16.3
157.10130	52.3
158.10881	9.1
159.08112	2.1
159.11699	40.4
160.12346	3.0
161.09644	6.6
161.13248	8.8
163.11229	2.5
165.07024	4.1
166.07718	1.9
167.08569	6.6
168.09355	5.7
169.10152	30.0
170.10924	8.5
171.11694	32.2
172.12483	8.7
173.09686	2.8
173.13258	26.5
174.13921	2.6
175.11205	2.8
175.14822	17.3
177.12741	4.8
179.08478	9.4
180.09348	4.6
181.10130	16.6
182.10941	9.4
183.11694	28.3
184.12410	6.0
185.13266	24.3
186.13954	5.8
187.11211	1.9
187.14841	13.7
189.12817	3.9
191.14307	8.4
193.10147	9.2
194.10863	8.5
195.11668	14.5
196.12511	10.9
197.13254	27.0
198.13977	8.4
199.14845	12.5
201.16391	9.6
203.14334	3.2
205.15889	2.5
206.10883	2.8
207.11740	9.9
207.13379	1.8
208.12529	4.6
209.13257	24.6
210.13959	5.0
211.14812	16.3
212.15567	3.0
213.12743	1.7
213.16397	5.1
215.14381	2.1
217.15852	5.8
219.11609	1.8
220.12134	1.9
221.13223	7.1
222.13962	4.1
223.14830	10.7
224.15617	5.1
225.16354	6.6
226.17123	2.1
227.18060	2.3
231.17514	2.2
233.13322	4.3
234.14046	2.9
235.14828	4.8
237.16388	9.6
238.17128	2.3
239.17903	4.5
247.14746	2.4
249.16444	4.1
251.17914	4.3
253.19530	2.7
257.18948	2.9
259.20444	2.5
261.16522	2.6
263.17850	2.7
265.19513	6.3
275.18024	4.1
277.19479	3.4
279.21243	3.0
283.20584	2.5
285.21994	2.7
291.21149	2.3
297.22183	3.1
307.20499	2.0
319.24048	2.0
323.23682	6.4
336.24051	1.9
337.25409	2.4
338.26019	33.1
339.26434	2.8
349.25226	2.1
381.07202	1.6
385.17572	2.1
430.32315	8.3
458.35474	2.0
476.36597	8.3
568.42853	15.8
568.56305	2.5
569.43024	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45617	0.9
55.81061	0.9
57.82578	1.1
67.22596	0.9
69.23871	6.9
69.24276	1.8
74.14433	0.9
80.88424	1.0
81.07086	1.7
81.84920	1.0
83.04976	1.1
91.05479	1.2
93.07042	1.3
95.08624	1.9
98.62157	1.1
105.07040	1.5
106.51814	1.0
133.10106	1.0
135.67369	0.9
142.97420	2.0
157.10165	2.2
231.29184	0.9
367.18652	1.1
369.24307	1.6
375.78119	1.3
409.27460	2.5
423.22910	1.5
425.19839	5.1
443.21021	11.3
465.24030	78.2
466.24567	8.9
475.24600	8.0
481.22882	1.9
483.24869	1.8
493.25522	6.0
511.26483	1.5
525.26300	11.8
526.26440	2.6
551.26312	5.3
569.26056	100.0
570.26227	12.3
596.94513	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67697	0.2
58.59347	0.3
66.11308	0.3
67.86432	0.3
69.04693	0.9
69.05108	2.3
151.00026	0.3
195.02765	0.4
297.20782	0.3
365.17258	1.0
367.18872	0.7
383.16016	2.0
465.26437	0.4
481.23642	1.4
482.24075	0.4
569.25098	100.0
570.25464	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96075	1.3
57.30227	1.6
63.67037	1.4
69.26858	5.2
69.27283	5.3
72.07510	1.4
83.58702	1.4
101.37888	1.4
149.02362	3.7
255.08342	1.6
295.09354	1.6
340.12988	1.9
371.14914	5.3
383.16226	75.7
384.16519	4.4
397.17715	9.4
439.22443	16.9
453.23959	5.5
479.21957	5.0
481.23544	62.2
482.23703	6.1
551.24017	2.3
569.24750	100.0
570.24969	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.4
63.29951	0.5
67.05484	0.5
68.23541	0.6
70.41283	0.5
73.41889	0.5
78.61774	0.5
81.07076	0.8
83.04988	1.5
85.54090	0.5
88.38013	0.5
93.07063	0.5
114.60899	0.5
119.08603	0.5
204.13765	0.6
205.35394	0.5
214.69044	0.5
290.02078	0.5
383.18192	1.7
419.70026	0.6
423.25385	0.7
429.20096	0.7
457.20383	1.0
465.25974	1.2
471.22232	0.7
507.26712	0.9
507.53595	0.7
539.24127	4.7
540.23450	0.6
550.06976	0.5
551.24951	0.7
569.24585	100.0
570.25140	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.4
63.29951	0.5
67.05484	0.5
68.23541	0.6
70.41283	0.5
73.41889	0.5
78.61774	0.5
81.07076	0.8
83.04988	1.5
85.54090	0.5
88.38013	0.5
93.07063	0.5
114.60899	0.5
119.08603	0.5
204.13765	0.6
205.35394	0.5
214.69044	0.5
290.02078	0.5
383.18192	1.7
419.70026	0.6
423.25385	0.7
429.20096	0.7
457.20383	1.0
465.25974	1.2
471.22232	0.7
507.26712	0.9
507.53595	0.7
539.24127	4.7
540.23450	0.6
550.06976	0.5
551.24951	0.7
569.24585	100.0
570.25140	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02211	3.2
81.07095	0.3
93.07030	0.3
98.23475	0.6
105.42007	0.3
122.35474	0.3
144.37665	0.3
259.09866	0.3
383.18341	0.5
407.23911	0.4
474.35013	0.3
507.26349	0.9
525.26068	1.3
551.25977	1.2
569.25220	100.0
570.25543	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00379	0.3
71.79964	0.4
81.07059	0.5
82.38097	0.4
84.50698	0.4
85.02927	0.4
91.05522	0.6
105.06998	0.5
130.65247	0.4
132.44122	0.4
137.05962	0.6
165.79144	0.4
167.08571	0.4
184.07446	0.5
185.04211	0.6
211.99908	0.4
229.06859	2.6
260.86359	0.4
275.16187	6.7
288.04498	0.4
317.08435	35.3
318.08820	1.5
335.09491	0.7
383.18286	1.5
419.13815	0.4
471.24612	0.5
489.25964	0.6
507.27283	1.9
525.28052	1.0
551.25677	2.0
569.25873	100.0
570.26349	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
70.43980	1.4
73.45590	0.4
79.05482	0.5
91.52805	0.4
95.08592	0.5
96.72781	0.4
135.57208	0.4
141.25620	0.4
185.04269	0.6
229.06895	1.4
257.15329	0.6
275.16165	14.8
276.16461	0.9
317.08429	39.7
318.08899	1.6
335.09567	0.6
438.75534	0.5
507.27426	0.7
569.25708	100.0
570.26166	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05463	0.8
69.07228	1.6
69.07649	1.8
74.09653	1.2
76.37429	0.4
77.83848	0.4
80.77987	0.4
83.04981	5.5
91.05379	0.4
105.06985	0.4
127.00005	0.6
196.10548	0.5
222.27791	0.4
228.11067	0.6
367.18790	100.0
368.19095	7.5
423.25281	0.6
447.24841	0.9
463.28235	0.4
465.26129	57.6
466.26511	5.8
475.24963	0.5
483.27277	1.2
525.28326	3.3
526.28912	0.7
569.27130	57.0
570.27533	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2723
Annotation	Casearborin B
Peak:m/z	Relative Intensity
53.16234	0.3
53.70895	0.3
56.98213	0.2
63.86529	0.3
71.32374	0.4
101.39145	0.3
105.03389	1.1
177.22691	0.3
194.60522	0.3
213.61821	0.3
315.08502	0.3
316.08908	0.3
344.08521	0.4
367.18900	0.5
413.24469	0.4
431.25522	0.7
447.25079	0.8
457.23660	0.6
475.24557	13.6
476.25043	1.5
493.25620	10.2
494.25946	1.2
511.26981	2.1
551.26202	8.0
552.26477	0.7
559.87604	0.3
569.27185	100.0
570.27570	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00235	0.3
51.05942	0.3
62.54735	0.3
67.63002	0.3
69.49314	0.6
69.49695	2.4
70.35829	0.4
70.38277	0.4
81.73505	0.4
126.06776	0.5
168.84863	0.5
187.07405	0.6
285.14542	0.7
299.16061	0.5
301.82944	0.4
353.17307	0.5
383.18298	24.1
384.18475	1.9
397.20071	0.6
402.63327	0.5
439.24490	0.9
463.24475	0.8
481.25659	1.6
489.26074	1.1
507.27200	1.1
551.26202	1.8
569.27191	100.0
570.27594	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.5
61.67027	0.4
67.05507	0.5
68.49215	0.4
69.13981	2.6
81.07066	0.4
83.04994	1.3
93.95373	0.4
95.08665	0.4
107.35816	0.4
110.41132	0.5
119.52430	0.5
143.08727	0.4
165.47601	0.4
186.08832	0.4
217.47635	0.4
297.84372	0.4
365.20990	1.3
367.18814	24.8
368.19177	1.6
371.19794	1.3
389.20877	9.5
390.21170	0.8
405.15024	0.4
405.23856	2.1
407.21945	50.1
408.22260	5.2
421.27097	1.0
423.25043	3.4
424.25351	0.4
425.22610	0.6
447.25040	4.9
448.25266	0.5
465.26108	11.6
466.26627	0.7
467.24213	0.6
483.27249	6.2
507.27036	0.6
525.28217	15.9
526.28589	2.0
551.26550	1.1
569.27209	100.0
570.27606	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60951	0.3
67.05499	0.4
71.31090	0.6
86.09718	0.4
90.07617	0.3
91.05489	0.9
105.07055	0.4
119.08543	0.4
121.10168	0.3
131.04926	0.4
137.06004	1.5
145.10161	0.3
147.04427	0.5
151.03835	0.4
151.11098	0.3
175.07623	0.6
182.05284	0.3
184.07451	1.1
193.08658	0.5
217.92804	0.3
267.44189	0.3
275.16275	1.4
317.08438	8.4
318.08878	0.7
335.09528	0.9
367.18811	0.4
383.18195	5.6
384.19006	0.5
413.19382	0.5
453.23993	1.4
471.24979	1.2
489.26178	3.0
495.26752	0.4
507.27206	7.8
508.27478	1.1
525.28143	3.2
526.28412	0.5
533.25018	1.0
551.26001	6.5
552.26501	0.8
569.26904	100.0
570.27344	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2932
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
55.05515	1.7
59.94038	0.4
65.50116	0.4
67.05531	0.6
72.48751	0.5
74.09715	2.9
76.07664	0.5
79.05487	0.8
81.07067	0.9
83.04984	1.6
91.05489	0.8
95.08591	0.5
98.23469	0.7
119.87138	0.4
121.10146	0.5
137.06012	0.7
137.60008	0.4
140.67728	0.4
151.07559	0.6
165.06937	0.5
185.04210	0.6
203.05374	0.6
229.37929	0.5
252.71379	0.5
259.07816	1.1
331.09967	0.8
350.95819	0.6
352.62103	0.5
381.16745	0.7
383.18198	3.2
384.18710	0.5
385.13849	0.7
392.89526	0.5
407.23984	1.3
437.12119	2.0
455.22931	0.5
457.20667	0.9
471.21960	1.2
479.26208	4.7
481.25720	0.7
493.25720	0.5
507.27228	1.3
511.21844	0.5
525.27545	1.7
533.79199	0.5
551.25952	1.3
569.29340	100.0
570.29443	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.5
58.88383	0.5
60.08171	0.6
64.35027	0.5
67.05499	1.0
70.43906	1.0
70.44258	0.8
79.05510	0.7
81.03432	0.8
81.07075	1.2
83.01096	0.5
83.04971	3.1
85.02903	0.6
86.09702	1.0
91.05496	0.9
93.07037	0.9
95.04972	0.8
95.08606	1.0
100.01450	0.5
102.85800	0.5
104.10744	1.9
105.07050	1.1
107.08596	0.5
117.05621	0.5
119.08587	0.8
121.10159	0.7
131.16479	0.5
143.08601	0.6
143.85690	0.6
145.10114	0.6
147.11736	0.6
149.09563	0.5
151.07564	0.5
161.05931	0.8
173.06035	1.3
180.47052	0.5
184.07385	3.0
185.04268	1.1
187.09128	0.5
201.03644	0.8
203.05295	0.8
245.60127	0.5
259.07965	1.4
317.19263	0.5
331.10083	1.8
407.24142	1.7
424.15384	0.5
441.20926	2.4
471.21921	0.5
481.25369	1.0
488.65680	0.5
499.21323	1.0
507.26550	2.0
511.21002	0.7
515.26331	0.5
533.24731	0.8
551.25006	1.0
569.29584	100.0
570.29803	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.296
Annotation	14-hydro-15-hydroxyajugapitin
Peak:m/z	Relative Intensity
53.03955	2.8
55.05495	3.3
65.20010	2.0
65.82087	2.1
67.05509	4.8
69.01104	1.9
69.03433	6.3
69.07059	3.8
69.57786	4.0
69.58199	6.3
69.79079	2.0
70.73806	1.8
77.53188	1.8
79.05496	8.2
81.07053	20.8
81.83613	1.8
83.04985	3.2
85.02912	2.8
88.76532	2.1
91.05492	14.0
93.07061	8.6
93.42920	1.8
95.04987	20.6
95.08610	9.3
97.02928	4.8
97.06537	4.5
99.04449	6.1
103.05478	2.5
105.07017	16.7
107.08589	8.7
109.06532	22.9
109.10165	5.6
111.04434	4.9
111.08086	4.1
115.05431	2.5
117.07041	7.0
119.08567	21.5
121.06488	4.6
121.10169	4.9
123.08042	4.8
128.06195	4.6
129.06996	8.5
131.04971	2.8
131.08553	12.0
133.06514	5.2
133.10117	19.6
135.08035	4.5
137.05977	28.9
137.09654	2.0
139.07530	4.6
141.07005	5.5
142.07744	3.8
143.08577	18.1
145.10068	11.2
147.08047	38.2
147.11705	4.2
150.06763	2.6
151.03940	5.4
151.07529	3.2
153.06955	3.4
155.08563	10.4
156.09302	2.4
157.10114	12.5
159.08026	4.7
159.11691	8.5
161.06017	3.1
161.09612	26.5
163.07556	2.1
165.07031	2.6
165.09135	5.4
167.07120	4.1
167.08580	6.3
168.09351	3.3
169.10149	11.9
171.08095	3.4
171.11661	11.8
173.09619	5.9
173.13246	5.9
175.11217	3.1
178.07776	2.6
179.08585	4.9
180.09328	2.6
181.10085	9.4
183.08145	2.5
183.11629	9.9
185.09618	3.3
185.13214	5.1
187.11223	3.3
189.09090	16.6
189.12738	4.2
192.09384	2.8
193.08611	11.5
193.10199	7.5
194.10744	2.5
195.11729	8.9
197.13300	6.6
199.11256	3.6
199.14850	5.9
201.12726	2.5
205.10168	2.6
206.10931	3.2
207.10147	100.0
208.10535	4.7
208.12355	2.7
209.09668	2.8
209.13246	7.4
210.13991	3.1
211.09671	18.2
211.11372	3.3
211.14865	6.0
213.12810	3.6
219.10164	6.9
219.11926	3.2
221.13229	6.1
223.14769	5.0
225.12723	6.5
227.14320	14.0
228.15120	5.0
233.13272	2.7
235.14761	3.8
237.16417	5.5
239.14255	4.4
239.17897	2.9
247.14825	6.1
249.16344	4.8
257.15430	3.0
261.16513	3.9
265.16016	4.9
266.16446	2.5
267.17374	3.4
277.15820	2.3
277.19586	2.5
285.14929	2.6
290.07770	2.1
293.18988	2.5
295.20483	4.6
303.16016	5.9
305.18887	4.8
309.11179	4.2
323.19949	4.8
341.13821	11.2
343.15344	2.1
373.16516	12.7
393.24323	3.7
403.22714	4.0
405.23978	3.2
415.22775	2.6
417.23904	4.1
421.23737	79.7
422.24277	11.5
433.23761	8.2
435.25244	9.2
438.19980	2.6
439.24808	70.0
440.25104	6.1
451.24667	9.6
453.26251	6.3
456.20844	2.7
457.25772	11.8
461.23221	4.4
469.25690	8.0
479.24359	10.2
497.25443	23.8
515.26605	11.6
516.22784	2.2
551.21753	4.5
569.17621	5.9
569.25397	15.3
570.25848	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86348	0.4
57.07086	0.7
69.09445	2.2
69.09871	1.0
71.08633	0.5
81.07082	0.7
83.08633	0.3
88.07633	0.4
89.06036	3.8
91.05489	0.5
93.07019	0.4
95.08641	0.3
105.07083	0.3
119.08561	0.5
133.08578	2.4
160.07680	0.4
166.47330	0.3
177.11270	0.9
311.29391	0.5
371.22714	0.8
479.33682	0.4
486.07669	0.4
568.57239	0.5
569.40216	100.0
570.40540	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.5
55.01871	7.6
55.05513	51.5
57.03453	2.3
57.07067	6.3
59.04990	3.3
65.03931	4.2
67.05503	59.7
69.03425	3.0
69.07067	27.0
69.34260	9.4
70.06572	1.7
71.04987	5.8
71.08628	3.0
77.03952	1.8
79.05489	58.6
80.05830	2.1
81.03418	7.9
81.07056	57.9
83.04973	12.2
83.08616	38.2
85.02854	1.6
85.06534	3.6
88.07630	2.4
89.06039	3.5
91.05477	66.3
93.07043	64.4
95.04967	31.6
95.08602	42.2
97.06528	10.1
97.10167	10.3
103.05443	3.9
105.04533	2.9
105.07028	64.3
107.04964	14.6
107.08592	38.5
107.94818	1.9
109.06530	8.2
109.10157	24.3
111.08060	10.1
111.11663	2.2
117.07015	25.3
119.08576	64.8
120.09359	2.7
121.06496	7.6
121.10140	33.6
123.08055	5.3
123.11687	6.3
123.67960	1.5
125.09624	7.3
128.06204	2.2
129.06993	8.4
130.07791	1.9
131.08568	34.1
133.06543	2.1
133.08612	2.8
133.10132	47.3
135.08061	5.9
135.11700	19.9
137.09601	7.7
139.11140	2.6
141.06966	3.6
143.08543	11.0
145.06519	2.0
145.10107	38.8
147.08080	4.6
147.11688	33.6
149.09612	35.2
149.13249	9.5
151.11185	4.1
155.08565	6.1
156.09280	1.8
157.10112	12.7
159.08035	1.8
159.11710	25.6
161.09622	2.6
161.13254	14.0
163.11169	32.4
163.14938	2.8
165.12762	7.8
169.10129	7.1
171.11687	13.7
173.09592	4.0
173.13252	12.3
175.11227	5.6
175.14871	6.2
177.12746	5.9
181.12218	1.8
183.11725	6.7
185.13297	6.1
187.11223	3.7
187.14790	3.7
189.11166	1.9
189.12747	2.8
191.14323	1.9
195.11697	2.3
197.13286	7.7
199.14915	4.3
201.12772	1.9
205.12204	2.2
207.13600	2.0
211.14909	2.2
213.16431	3.3
215.17970	3.2
219.13972	2.3
223.13284	13.3
229.19606	4.8
233.15329	3.9
235.16925	2.7
239.17993	12.0
241.19557	2.4
247.20647	2.9
257.18979	13.8
259.20569	12.1
275.20047	100.0
276.20660	10.7
277.21597	25.5
278.21899	2.1
283.26187	1.9
293.21075	20.8
301.21652	3.9
311.29510	2.4
423.32480	2.6
441.33536	6.5
443.31302	3.2
465.35739	4.1
533.40192	2.4
538.38055	1.9
551.40918	7.0
560.64697	2.4
568.56885	3.6
569.42047	16.7
569.56567	10.8
570.41614	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01873	0.8
57.03431	0.7
58.94180	0.3
61.02930	0.7
65.03936	1.5
69.03414	1.4
71.29789	0.4
78.47380	0.3
79.05488	3.1
79.80084	0.3
81.03403	1.0
85.02898	6.8
87.04464	0.4
91.03941	0.4
91.05474	6.9
93.03397	1.2
95.70629	0.4
97.02885	2.1
103.05453	0.4
105.07043	0.4
107.04958	5.2
109.02879	0.6
111.04429	0.9
115.05440	0.4
119.04939	14.5
120.05249	0.5
121.06482	1.8
125.05988	2.5
127.03910	1.1
131.04893	0.7
133.02856	2.1
135.04417	4.9
137.05978	5.8
143.04904	0.5
145.04953	1.4
147.04404	100.0
148.04745	3.0
149.05937	2.2
151.03906	0.6
153.05450	1.5
154.24522	0.3
161.05978	0.5
163.03889	1.6
163.07538	0.5
165.05493	2.3
167.07040	7.8
174.16879	0.4
175.07515	0.6
177.05476	2.8
178.85622	0.3
179.07027	33.5
180.07373	1.1
180.08742	0.6
183.06583	0.4
191.06993	1.6
195.06522	4.8
201.05501	2.1
203.07039	1.1
219.06564	0.9
221.08054	0.5
231.06523	0.9
249.07527	0.6
265.08710	1.0
277.08563	1.0
293.08163	0.6
295.09628	0.5
296.10309	0.7
297.11365	0.7
307.86203	0.4
309.11249	0.8
323.09406	0.4
325.10654	1.4
327.36584	0.4
337.10672	0.5
343.11819	0.4
355.11795	2.0
373.13120	0.6
381.73535	0.3
571.27448	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01865	0.8
61.39785	0.3
65.03938	1.3
69.03423	0.5
69.81229	0.7
69.81624	0.8
79.05486	3.0
82.88573	0.3
85.02910	2.6
91.05484	5.4
93.03394	1.5
97.02899	0.7
103.05497	0.6
107.04961	4.3
111.04427	0.6
119.04946	15.0
120.05286	0.5
121.06487	1.1
125.06002	1.8
131.04927	0.9
133.02841	1.0
133.06497	0.5
135.04422	4.0
137.05966	4.8
143.04927	0.9
145.04961	1.1
147.04408	100.0
148.04718	3.2
149.05980	2.4
151.03944	0.9
153.05446	1.7
161.06021	0.6
163.03920	0.8
163.07495	0.6
165.05466	1.8
167.07030	7.8
168.07338	0.4
175.07520	0.8
176.04587	0.6
177.05470	2.6
179.07030	32.7
180.07391	0.8
187.03812	0.4
191.07034	1.5
193.08592	1.0
195.06583	2.7
203.07053	1.0
211.09679	1.5
212.10017	1.1
214.86099	0.3
216.04243	0.3
219.06555	0.5
221.08131	0.5
231.06531	0.6
235.07339	0.4
249.11212	0.6
253.08621	0.5
265.08710	0.8
277.08618	1.0
281.08231	0.4
293.08307	0.8
296.10297	0.8
297.11063	0.5
309.11142	1.0
325.10788	1.0
337.10757	0.6
355.11658	1.6
373.12881	1.4
393.61066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.0
55.06260	2.5
57.66615	2.2
65.03937	4.7
69.00037	23.6
69.03425	6.3
79.05486	13.2
85.02940	12.7
91.05491	10.5
93.03418	5.9
95.05025	3.5
97.02906	4.5
97.26269	2.6
98.23328	6.2
103.05470	3.1
105.07050	7.2
107.04964	23.6
111.04459	11.0
115.05451	2.9
119.04979	15.4
121.06522	4.3
122.93876	2.5
124.05243	2.8
125.05998	20.0
131.04933	7.4
133.02820	2.9
133.06480	8.0
135.04420	23.5
137.05988	40.4
139.53865	2.1
143.04968	3.9
147.04407	100.0
148.04800	3.5
149.06017	12.4
151.03882	5.4
151.07545	6.5
153.05444	14.8
157.06511	3.0
161.05998	14.0
163.07571	6.2
165.05492	3.3
167.07051	57.9
175.07600	6.5
177.05476	8.0
177.09108	59.9
179.07047	26.0
179.08458	3.1
181.08664	7.9
189.09097	3.2
191.07031	5.4
193.04950	2.8
193.08572	26.5
195.06543	3.2
203.07033	11.1
207.06586	3.0
221.08228	4.1
221.11563	11.9
237.05644	2.9
257.04477	3.1
265.08801	3.4
285.11285	3.8
297.11142	3.5
309.11227	3.3
325.10776	5.2
355.11819	4.0
361.16501	8.8
373.12753	7.0
373.16943	3.0
396.86801	2.6
570.26013	5.4
571.26996	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.6
69.03419	4.2
71.04970	1.7
76.39497	1.2
79.05486	3.0
81.03413	2.6
81.07056	1.3
83.04976	1.4
85.02915	9.9
91.05481	5.6
93.07030	4.1
95.04977	1.6
97.02840	2.1
98.22611	2.4
103.05471	2.9
105.07005	3.6
107.04948	9.9
107.08582	2.0
109.02866	1.9
109.06497	1.9
117.06997	1.5
119.04875	2.0
119.08591	1.4
121.06493	7.9
123.04441	1.9
129.06993	5.4
131.04915	5.7
131.08549	2.8
133.06436	1.6
135.07906	1.4
137.06015	8.7
145.04967	1.4
145.06451	2.7
147.04520	1.9
147.08047	1.6
148.05264	1.2
149.05994	4.0
151.03905	2.8
151.07549	5.5
153.05461	2.9
155.06917	1.2
157.06480	6.2
159.08031	1.7
161.05963	12.4
161.09644	2.6
163.06349	1.2
163.07564	8.1
165.09146	3.2
165.12749	1.4
166.06314	3.1
167.07056	29.2
167.08409	1.3
173.05844	1.3
174.06755	4.8
175.07545	6.0
177.05403	2.5
177.09120	5.8
179.07039	2.5
181.08594	26.2
189.09106	20.3
193.08586	2.0
195.08084	2.3
197.09657	2.1
203.06992	2.9
205.08580	5.3
207.10133	6.4
211.07433	2.1
219.08124	2.5
219.10104	2.3
221.11644	1.3
223.07544	3.1
225.09077	6.2
239.07106	2.1
240.07803	2.1
241.08565	2.0
242.09319	1.4
251.06947	1.9
251.10725	3.4
253.08591	4.7
255.09953	1.5
257.11847	6.6
267.10193	1.8
269.07773	1.4
271.31943	1.4
279.10052	2.6
283.09601	5.9
283.13135	3.4
285.08313	1.8
285.11188	8.8
302.11429	1.7
308.10370	2.0
309.11288	2.3
311.12766	3.5
315.12302	5.6
317.13684	9.0
329.13550	1.4
331.15372	3.1
341.13904	2.7
343.15375	12.7
346.06232	2.5
355.15396	2.3
361.16443	100.0
362.16748	7.8
373.16376	5.3
377.47968	1.4
571.26807	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	1.1
71.31348	1.1
79.87872	0.5
85.02899	1.1
90.81852	0.5
91.05476	2.5
97.02865	1.0
103.05449	0.5
105.07063	0.8
107.04929	0.9
115.05505	0.8
116.06321	0.7
117.07041	0.9
119.04945	0.6
121.06466	0.7
128.06219	1.8
129.07004	5.6
131.08569	6.2
133.06468	1.2
137.05997	3.9
141.07018	2.2
142.07755	0.8
143.08519	0.8
144.05690	1.9
145.06471	1.5
147.04404	1.8
151.03902	0.9
153.05527	0.8
156.05704	0.7
157.06482	3.2
158.07280	1.0
159.08054	9.8
161.06026	1.8
161.09625	2.7
163.07576	1.5
167.07068	0.8
169.07661	1.1
170.07283	1.7
171.08012	2.2
172.05180	1.1
173.05978	2.2
174.06825	0.7
175.07523	1.2
179.05357	0.6
181.08592	0.9
187.07542	8.0
189.05379	0.9
189.09064	4.3
198.06810	1.0
199.07619	0.8
201.05489	2.2
201.09064	1.1
203.06985	1.5
204.07840	4.6
205.06610	0.6
205.08649	1.3
206.09323	1.1
207.10226	0.6
216.07738	1.0
219.10208	2.9
221.11737	1.4
231.10101	3.7
233.11761	1.8
237.11252	0.7
246.11362	1.0
249.11220	100.0
250.11549	4.5
251.12834	2.6
257.04480	3.5
267.12204	2.8
325.10773	1.0
355.11850	0.8
373.16458	0.7
408.16611	0.7
409.09378	0.9
409.14670	1.2
529.03961	0.6
570.26227	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54898	1.2
53.03928	1.6
54.10958	1.3
56.96345	1.3
69.03426	2.2
79.05499	2.3
81.03407	1.5
85.02903	10.3
91.05478	5.7
92.96823	1.4
93.07040	2.3
95.04965	1.7
97.02911	3.4
100.97771	1.4
103.05444	3.8
105.07035	2.5
107.04942	8.4
111.04452	1.4
113.36878	1.4
114.00632	1.4
115.05491	2.0
117.07060	1.5
121.06521	9.8
123.04428	1.9
124.05238	1.7
127.03958	2.1
128.06186	1.3
129.06990	8.5
131.04942	4.0
131.08560	5.2
133.06488	2.3
135.08072	2.1
137.05981	6.1
145.06476	2.4
148.05197	1.7
149.05962	2.1
151.03952	2.6
151.07559	7.7
153.05460	3.6
157.06490	9.8
159.08029	2.5
161.05975	10.9
161.09601	5.7
163.07494	7.5
165.09134	3.1
166.06233	2.9
167.07043	32.7
169.06485	1.7
174.06776	7.3
175.07530	7.3
177.09132	4.3
179.07094	2.0
179.08662	2.0
181.08598	31.9
182.07172	2.0
182.08812	1.8
187.07645	1.5
189.09091	35.1
191.10553	1.8
193.06444	1.8
195.08101	3.1
197.09698	3.1
201.09151	4.6
207.10144	5.3
219.08070	1.4
219.10146	25.3
222.06717	1.5
223.07521	2.2
225.09084	4.4
229.11978	1.9
236.08235	1.7
237.09140	2.1
239.07043	2.4
239.10605	1.5
240.07629	1.6
247.09465	5.4
251.10699	3.5
253.08592	4.9
254.09422	1.4
257.11700	6.4
270.08719	1.7
279.10089	1.9
283.09515	4.8
283.13177	4.4
285.11203	11.0
302.11493	1.7
311.12854	3.2
315.12201	7.9
317.13882	12.6
323.05505	1.8
331.15125	3.6
343.15460	21.1
361.16437	100.0
362.16992	8.5
373.16757	2.2
388.82877	1.6
409.14636	9.5
570.26422	3.2
571.19562	4.4
571.27271	3.0
582.13745	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.6
69.03419	4.2
71.04970	1.7
76.39497	1.2
79.05486	3.0
81.03413	2.6
81.07056	1.3
83.04976	1.4
85.02915	9.9
91.05481	5.6
93.07030	4.1
95.04977	1.6
97.02840	2.1
98.22611	2.4
103.05471	2.9
105.07005	3.6
107.04948	9.9
107.08582	2.0
109.02866	1.9
109.06497	1.9
117.06997	1.5
119.04875	2.0
119.08591	1.4
121.06493	7.9
123.04441	1.9
129.06993	5.4
131.04915	5.7
131.08549	2.8
133.06436	1.6
135.07906	1.4
137.06015	8.7
145.04967	1.4
145.06451	2.7
147.04520	1.9
147.08047	1.6
148.05264	1.2
149.05994	4.0
151.03905	2.8
151.07549	5.5
153.05461	2.9
155.06917	1.2
157.06480	6.2
159.08031	1.7
161.05963	12.4
161.09644	2.6
163.06349	1.2
163.07564	8.1
165.09146	3.2
165.12749	1.4
166.06314	3.1
167.07056	29.2
167.08409	1.3
173.05844	1.3
174.06755	4.8
175.07545	6.0
177.05403	2.5
177.09120	5.8
179.07039	2.5
181.08594	26.2
189.09106	20.3
193.08586	2.0
195.08084	2.3
197.09657	2.1
203.06992	2.9
205.08580	5.3
207.10133	6.4
211.07433	2.1
219.08124	2.5
219.10104	2.3
221.11644	1.3
223.07544	3.1
225.09077	6.2
239.07106	2.1
240.07803	2.1
241.08565	2.0
242.09319	1.4
251.06947	1.9
251.10725	3.4
253.08591	4.7
255.09953	1.5
257.11847	6.6
267.10193	1.8
269.07773	1.4
271.31943	1.4
279.10052	2.6
283.09601	5.9
283.13135	3.4
285.08313	1.8
285.11188	8.8
302.11429	1.7
308.10370	2.0
309.11288	2.3
311.12766	3.5
315.12302	5.6
317.13684	9.0
329.13550	1.4
331.15372	3.1
341.13904	2.7
343.15375	12.7
346.06232	2.5
355.15396	2.3
361.16443	100.0
362.16748	7.8
373.16376	5.3
377.47968	1.4
571.26807	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
55.90642	0.5
63.51639	0.5
65.03916	0.6
69.03415	1.5
70.06608	0.6
71.29778	0.9
72.29948	0.5
72.39187	0.6
79.05491	1.1
84.90527	0.5
85.02900	4.8
91.05482	4.4
97.02885	1.8
103.05434	0.8
105.07021	1.4
107.04957	2.1
111.04492	0.7
115.05486	1.1
117.07014	1.0
119.04933	5.0
121.06544	1.0
123.04404	0.8
125.05991	0.8
127.03917	1.3
128.06212	1.9
129.07005	4.7
131.04953	1.2
131.08582	5.7
133.02861	1.3
133.06496	1.6
133.10158	0.9
135.04379	1.5
137.05983	3.8
141.07002	1.7
143.04909	0.7
143.08537	0.7
144.05717	1.5
145.06525	1.3
146.07295	1.0
147.04405	33.1
147.11649	0.7
148.04768	1.1
153.05492	0.9
157.06505	2.6
158.07326	0.7
159.08066	9.8
161.05965	1.4
161.09575	3.1
163.03870	1.0
165.05447	0.8
167.07043	3.9
167.08325	0.7
169.07657	0.9
170.07269	2.1
171.08064	1.8
172.05190	1.0
173.05997	2.2
175.07675	1.5
177.05490	1.5
179.07039	12.3
180.08740	0.7
187.07558	8.8
188.08224	0.6
189.09070	4.3
191.06989	1.1
195.06529	2.1
199.07399	1.1
201.05511	5.2
203.07024	2.0
204.07851	4.7
205.08606	0.6
206.09373	0.9
216.07761	1.3
219.06557	0.7
219.10132	2.6
221.11583	1.2
229.31689	0.6
231.10110	3.0
237.11147	1.3
249.11226	100.0
250.11580	6.2
267.12253	2.6
306.12360	0.6
325.10617	2.9
355.11792	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81033	0.6
53.13061	0.6
57.03441	0.6
58.34386	0.6
61.02925	0.8
68.38113	0.6
69.03426	2.6
69.15541	4.1
73.02921	0.7
73.30563	0.6
81.03394	1.0
85.02911	5.1
97.02892	1.4
109.02861	0.7
111.08093	0.6
119.05006	0.7
127.03905	1.0
138.55927	0.7
162.56277	0.7
166.32848	0.8
167.07076	1.2
173.05956	1.3
210.10408	1.0
211.07483	1.3
220.08929	1.1
223.11247	0.7
224.08290	0.7
225.09048	0.9
228.07806	0.8
229.05000	1.0
235.07362	0.7
235.11171	2.0
237.09053	0.8
238.09760	1.3
239.07039	1.6
242.05696	1.9
243.06427	0.9
248.08311	1.5
249.09067	2.0
250.09816	0.8
251.07092	0.7
251.10669	4.3
252.11452	1.5
253.05067	1.5
253.12251	1.7
256.07272	1.6
257.07974	1.5
258.05139	1.0
262.09756	1.1
263.10617	5.8
264.11456	0.7
265.08597	2.3
265.12216	1.1
266.05862	0.7
266.09265	1.8
267.06528	2.5
267.10089	1.8
271.06061	0.7
271.09637	0.7
273.07437	0.9
277.08600	1.7
278.09360	1.3
279.07077	1.0
279.10123	6.4
280.10895	4.0
281.08133	2.6
281.11728	5.0
282.12363	1.2
283.09564	1.0
284.06921	1.1
285.07593	5.0
288.06277	1.0
289.07095	0.9
290.07733	2.5
291.10135	2.8
292.10910	1.9
293.08081	1.6
293.11551	1.3
294.08710	1.6
295.09720	2.0
295.13324	4.7
296.10440	6.2
297.11011	0.9
298.11816	1.0
299.09195	5.4
303.08661	2.2
304.09378	1.1
308.10492	2.3
309.11163	8.8
310.12036	2.2
311.09103	2.2
311.12756	5.2
313.11047	0.8
313.14288	4.2
316.09570	0.8
317.10196	1.3
323.12747	6.0
324.13525	1.4
325.10922	0.8
326.11438	3.5
327.12057	1.7
327.15765	1.0
331.11722	2.0
341.13831	100.0
342.14258	9.7
355.15402	12.7
373.16446	30.0
374.16840	1.5
421.89484	0.7
430.52365	0.7
535.21710	18.8
536.21881	2.3
571.26563	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81033	0.6
53.13061	0.6
57.03441	0.6
58.34386	0.6
61.02925	0.8
68.38113	0.6
69.03426	2.6
69.15541	4.1
73.02921	0.7
73.30563	0.6
81.03394	1.0
85.02911	5.1
97.02892	1.4
109.02861	0.7
111.08093	0.6
119.05006	0.7
127.03905	1.0
138.55927	0.7
162.56277	0.7
166.32848	0.8
167.07076	1.2
173.05956	1.3
210.10408	1.0
211.07483	1.3
220.08929	1.1
223.11247	0.7
224.08290	0.7
225.09048	0.9
228.07806	0.8
229.05000	1.0
235.07362	0.7
235.11171	2.0
237.09053	0.8
238.09760	1.3
239.07039	1.6
242.05696	1.9
243.06427	0.9
248.08311	1.5
249.09067	2.0
250.09816	0.8
251.07092	0.7
251.10669	4.3
252.11452	1.5
253.05067	1.5
253.12251	1.7
256.07272	1.6
257.07974	1.5
258.05139	1.0
262.09756	1.1
263.10617	5.8
264.11456	0.7
265.08597	2.3
265.12216	1.1
266.05862	0.7
266.09265	1.8
267.06528	2.5
267.10089	1.8
271.06061	0.7
271.09637	0.7
273.07437	0.9
277.08600	1.7
278.09360	1.3
279.07077	1.0
279.10123	6.4
280.10895	4.0
281.08133	2.6
281.11728	5.0
282.12363	1.2
283.09564	1.0
284.06921	1.1
285.07593	5.0
288.06277	1.0
289.07095	0.9
290.07733	2.5
291.10135	2.8
292.10910	1.9
293.08081	1.6
293.11551	1.3
294.08710	1.6
295.09720	2.0
295.13324	4.7
296.10440	6.2
297.11011	0.9
298.11816	1.0
299.09195	5.4
303.08661	2.2
304.09378	1.1
308.10492	2.3
309.11163	8.8
310.12036	2.2
311.09103	2.2
311.12756	5.2
313.11047	0.8
313.14288	4.2
316.09570	0.8
317.10196	1.3
323.12747	6.0
324.13525	1.4
325.10922	0.8
326.11438	3.5
327.12057	1.7
327.15765	1.0
331.11722	2.0
341.13831	100.0
342.14258	9.7
355.15402	12.7
373.16446	30.0
374.16840	1.5
421.89484	0.7
430.52365	0.7
535.21710	18.8
536.21881	2.3
571.26563	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.0
69.03436	1.7
69.07066	1.6
77.36261	0.7
79.05492	1.4
81.07073	1.3
85.02895	4.1
91.05492	1.3
94.04201	1.4
97.02869	1.3
98.23443	1.3
99.08092	29.6
103.05457	1.9
105.07034	3.8
112.96634	0.8
117.07033	3.8
122.03664	2.8
130.07773	1.8
131.04924	4.6
133.06503	1.7
133.96367	0.8
137.05978	88.7
138.06296	1.1
138.75378	0.8
143.08542	1.1
144.05701	1.0
145.06496	9.4
145.10126	15.8
148.05186	2.7
148.43945	0.8
151.07562	3.2
154.06268	1.3
155.08543	0.9
158.07312	3.1
162.06831	0.9
163.07576	2.9
165.09172	1.8
166.06284	2.3
168.59612	0.8
169.08633	2.6
173.09625	37.1
174.10022	1.9
176.08377	2.0
181.08603	19.9
184.07370	0.9
190.09874	0.9
195.00177	0.7
195.10136	1.5
203.10722	2.6
205.12247	100.0
206.12668	2.5
207.10281	0.9
218.13029	2.7
223.13292	21.1
223.15324	1.5
224.13644	0.8
237.14711	0.8
249.14857	9.5
267.15924	7.7
303.12256	1.1
317.08560	1.7
340.74261	0.9
453.15265	0.8
570.24847	8.7
571.25684	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.2
57.07077	58.8
58.07395	1.4
59.56026	0.9
67.05508	1.4
67.84754	0.9
69.07068	8.6
69.30099	5.9
69.30505	2.0
71.08633	50.2
73.06543	5.2
79.05490	2.0
80.01478	0.9
81.07079	1.7
82.69479	0.9
83.08617	2.9
83.98990	0.9
85.10186	33.1
87.04448	5.0
89.06033	100.0
90.06356	1.3
91.05474	1.4
93.07012	1.4
97.10182	3.3
98.22649	1.3
98.79100	0.9
99.11735	7.7
105.07044	1.2
107.07073	2.8
107.08578	1.6
111.11691	4.6
113.13306	6.8
117.09145	4.6
119.85680	1.1
119.92229	1.0
125.13276	2.8
127.14806	2.7
130.08659	2.3
131.07095	1.4
132.08049	1.2
133.03761	1.0
133.08609	61.5
134.08919	1.7
135.10162	1.0
150.38940	0.9
160.07591	1.9
161.11734	1.2
177.11223	26.8
177.12654	1.2
183.21042	1.6
221.13918	4.6
227.23717	1.9
239.14844	1.4
271.26285	1.6
283.17514	2.6
298.38934	1.1
315.28845	4.0
327.20148	2.6
355.15634	1.3
355.22955	1.0
356.16190	1.5
371.22772	7.7
387.18149	1.2
465.74246	1.1
553.43030	7.2
570.31152	1.1
570.44861	4.5
571.23871	1.2
571.32263	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	79.8
59.05007	3.7
67.05510	7.0
69.07057	6.7
72.77515	4.4
74.09705	5.8
79.05506	7.5
81.07040	10.7
83.04990	100.0
91.05497	11.8
93.07030	10.7
95.04971	3.9
95.08592	8.6
99.04475	19.4
105.07033	8.6
107.08590	7.5
109.06530	4.9
110.57883	3.6
117.07013	3.8
119.04940	4.9
119.08540	6.6
121.10114	5.0
127.03934	9.2
133.10115	5.2
145.10118	7.5
147.08075	5.7
173.09709	4.2
207.10225	14.6
239.06972	5.7
250.06219	7.1
251.06821	5.9
253.04721	5.7
265.04907	9.1
265.08591	9.0
266.05707	7.8
269.08112	4.8
279.06503	8.6
280.07172	5.5
281.04492	4.6
281.08047	5.3
283.05966	7.1
292.07401	6.8
293.08044	13.7
294.05234	6.7
294.08679	8.8
295.06171	5.0
295.09781	4.1
297.07642	32.2
299.08972	5.6
305.08115	5.1
307.06226	5.3
309.07541	7.0
311.05533	11.5
313.06918	14.4
314.07794	5.7
323.09113	52.5
324.09833	13.0
325.06985	11.9
325.10480	5.3
326.07727	19.8
328.09216	7.7
337.10660	10.0
339.12186	6.8
340.09402	13.0
348.09811	5.6
349.06882	4.5
353.10117	18.3
355.11679	26.1
357.09683	31.5
364.09357	6.4
365.10187	7.5
366.10852	6.5
367.11703	16.1
367.18811	14.3
369.13309	11.4
379.11691	17.6
397.12732	14.5
410.13657	10.8
465.25717	5.5
571.28406	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2512
Annotation	Tiegusanin I
Peak:m/z	Relative Intensity
60.05656	0.3
69.01799	2.8
120.01851	0.3
133.02759	0.3
143.96408	0.3
172.76295	0.2
221.30118	0.4
393.20667	0.5
411.21695	0.9
465.26013	1.3
469.22321	0.7
473.21936	1.0
491.23972	3.3
492.24896	0.6
509.25150	12.7
510.25555	1.4
527.26373	0.7
553.23865	2.8
571.25427	100.0
572.25916	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2513
Annotation	CP 225917
Peak:m/z	Relative Intensity
57.31594	0.2
61.42020	0.2
66.13745	0.2
69.01736	1.4
69.02143	0.4
85.39192	0.2
93.69679	0.2
120.01868	0.6
147.04149	0.2
149.02116	0.6
153.64941	0.2
158.90634	0.3
163.99138	0.2
231.09970	0.4
245.11546	0.2
248.84486	0.2
274.11658	0.2
303.12134	0.4
313.17783	0.2
332.51022	0.2
355.15060	0.2
369.20517	0.2
372.15375	0.3
381.19971	0.2
397.20010	0.3
399.21405	0.3
411.21448	0.6
425.23083	0.4
427.21219	0.4
439.20160	0.4
439.25497	0.4
451.24854	0.3
453.22424	0.7
465.26218	0.5
467.24234	0.3
473.21954	0.8
479.23788	0.9
481.21201	1.5
491.23987	1.2
495.23410	0.5
497.25089	2.5
507.23489	0.8
509.25052	4.1
510.25192	0.5
525.24591	6.3
526.24902	0.6
527.26202	0.9
553.24133	2.0
554.23907	0.3
571.25092	100.0
572.25439	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2515
Annotation	Rohituka-12
Peak:m/z	Relative Intensity
56.64176	0.2
67.05502	0.3
71.30469	0.2
83.73493	0.2
91.05500	0.2
107.08585	0.3
157.62225	0.2
256.10754	0.3
267.40155	0.2
274.11777	0.4
310.15277	0.2
353.66019	0.2
383.18283	0.2
409.25580	1.8
411.21506	0.4
455.20166	0.9
465.25897	0.6
473.21371	2.3
479.31375	0.2
491.23636	1.6
509.24960	2.2
514.73083	0.2
527.26001	1.6
533.65039	0.2
535.22980	1.1
553.23938	4.5
554.24365	0.7
571.25018	100.0
572.25409	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2515
Annotation	CP 225917
Peak:m/z	Relative Intensity
67.24588	0.3
68.98920	0.4
69.32149	1.9
70.31188	0.3
120.01867	0.4
131.04933	0.4
137.05983	0.6
147.04411	0.4
149.05769	0.3
153.02042	0.3
153.05545	0.3
161.42163	0.3
199.32503	0.3
221.07990	0.3
231.10097	0.3
257.04596	0.3
279.84564	0.3
295.16855	0.4
323.16199	1.0
341.17218	0.3
345.13199	0.5
353.21118	0.4
409.09451	0.3
446.72592	0.3
455.20505	0.6
463.20697	0.6
473.22391	0.4
479.24191	1.2
481.21942	0.8
491.23849	1.4
497.25195	4.7
498.25690	0.5
507.23846	1.4
509.25223	2.8
525.24542	2.3
527.26056	2.3
543.26050	0.3
553.24072	4.8
554.24280	0.3
571.25244	100.0
572.25586	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2725
Annotation	Phe Tyr Leu Glu
Peak:m/z	Relative Intensity
53.29765	0.3
69.03429	0.3
69.18063	2.5
70.64319	0.3
73.68514	0.3
85.02905	0.5
86.61777	0.3
91.05515	0.3
92.28542	0.3
95.04945	0.3
97.02886	0.3
103.18806	0.3
105.07065	0.6
105.41490	0.3
109.02696	0.3
121.02867	1.3
127.03856	3.1
137.05971	0.5
139.03905	0.7
141.05217	0.7
169.04738	1.7
171.02643	0.5
173.04225	0.5
203.05307	0.7
215.05266	0.6
229.06885	0.6
259.16696	0.5
275.07440	0.8
277.17874	0.5
301.08917	0.8
317.08591	0.6
333.07703	1.6
333.68954	0.3
335.09470	11.8
336.09756	0.4
369.18973	0.8
405.13858	0.5
409.21942	0.4
411.19763	0.6
439.22897	2.5
501.23209	3.7
502.23230	0.4
571.27313	100.0
572.27545	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05467	0.5
56.75986	0.5
57.75422	0.4
60.34461	0.4
67.05457	1.0
71.30385	0.6
75.62250	0.4
79.05424	0.6
80.60399	0.5
81.06996	1.1
83.04906	1.9
85.66412	0.4
87.00307	0.5
91.05419	1.0
93.06979	0.9
95.08543	0.9
105.06967	1.0
107.08565	0.9
109.10070	0.6
119.08488	0.7
121.09996	0.6
124.61897	0.4
223.47174	0.5
228.11111	0.7
229.11946	0.5
239.20216	0.5
255.93175	0.5
367.18793	100.0
368.19159	6.6
397.61661	0.5
423.25357	0.6
447.25021	1.5
462.29141	0.5
465.26129	46.1
466.26233	4.5
473.29120	0.6
553.28284	1.0
571.28790	80.7
572.29132	6.6
592.92743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.8
69.49636	3.3
74.09670	2.6
92.26668	0.7
105.03397	3.5
113.11788	0.7
113.41494	0.6
126.39078	0.6
228.11324	0.9
257.04324	0.7
367.18802	90.3
368.19089	6.6
369.20370	6.3
381.19934	0.7
407.21918	5.9
425.23071	0.8
433.23627	0.9
447.24539	0.7
465.26151	5.7
466.26624	0.8
467.27670	2.8
475.24484	1.1
483.27094	4.1
491.27505	2.8
509.28845	9.0
510.28882	0.9
511.25781	0.7
515.77576	0.7
553.28015	1.9
571.28778	100.0
572.29034	9.2
575.18597	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3243
Annotation	Avermectin B1b aglycone
Peak:m/z	Relative Intensity
50.49197	0.4
51.38175	0.4
52.39029	0.4
52.48760	0.4
55.05502	0.7
57.07079	6.2
67.05491	0.5
69.07066	1.2
69.39095	2.7
71.08631	4.8
72.08973	0.7
72.42437	0.4
73.06532	0.4
81.07071	0.7
83.08614	1.0
83.99357	0.4
85.10191	2.6
85.10643	0.4
86.10520	0.6
87.04489	0.9
89.06033	10.0
90.06338	0.8
95.08601	0.9
111.11723	0.5
113.13296	0.8
127.14854	0.4
133.08595	5.2
134.08949	1.1
145.10155	0.7
156.35316	0.5
159.11766	0.6
177.11240	2.2
178.11531	0.7
257.04272	0.5
348.83878	0.5
367.11395	0.6
371.22659	0.9
372.23083	0.7
424.40848	0.4
554.43658	1.1
571.32404	100.0
572.32788	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45696	1.3
61.02927	3.9
62.00872	1.3
65.03937	1.3
69.03428	7.9
71.05012	1.7
76.73453	1.2
79.05487	3.0
80.63080	1.7
81.03433	3.8
85.02908	23.7
88.69566	1.4
91.05491	12.0
94.04219	2.3
97.02888	10.2
103.05489	3.3
103.31310	1.3
105.07040	1.9
107.04976	2.3
109.02888	1.8
115.05481	2.9
117.07046	2.4
119.04961	18.2
122.03658	7.8
127.03947	3.7
131.04951	7.8
133.02840	4.3
135.04442	2.5
137.05988	100.0
138.06339	3.5
143.04915	2.6
145.04984	4.6
145.06490	5.5
147.04420	89.6
148.04774	2.5
149.06018	7.0
151.03923	4.1
153.05490	1.7
160.05211	10.9
161.05978	7.2
163.07574	7.1
165.05475	10.4
166.63002	1.4
167.07076	4.9
171.04449	2.0
173.06087	1.5
175.07553	49.9
176.08038	1.3
177.05466	5.1
177.09151	3.8
179.07048	22.6
180.08746	1.5
183.06558	2.1
187.07541	4.9
187.91451	1.3
188.04628	2.5
191.07086	11.6
191.08562	2.0
197.08044	1.9
203.07043	44.7
204.07358	2.9
205.08644	4.4
206.07277	1.3
207.08026	1.6
215.06998	2.5
218.07248	3.9
219.08141	7.3
221.08047	12.5
225.14674	1.5
233.08011	8.9
234.06813	4.1
235.07501	1.5
236.08279	1.8
237.09204	2.9
240.07791	1.7
247.07552	4.2
248.08167	1.5
249.09151	12.2
251.09152	6.7
251.11237	2.4
253.08734	1.7
261.09119	5.7
262.06323	3.7
263.07108	1.6
264.07690	2.2
265.08640	7.6
267.10114	1.5
271.09702	8.0
277.08636	28.6
277.11456	2.5
278.09232	4.0
279.06274	1.5
279.10214	9.8
280.11102	1.5
281.08090	1.6
283.09631	4.3
285.11273	2.6
289.08624	6.0
290.09341	2.3
292.07291	1.8
293.11752	1.4
294.08957	4.3
296.10434	2.5
297.11185	9.3
298.11920	1.7
307.09604	7.9
309.07568	1.5
309.11209	40.9
310.11743	4.8
311.12799	15.6
321.11188	16.5
327.12320	5.9
339.12277	43.3
340.12585	3.5
357.13394	13.7
573.21356	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	2.0
72.62224	1.0
79.05505	1.7
85.02888	3.2
91.05491	9.0
92.20894	0.9
93.07058	1.9
94.04202	1.8
97.02914	1.2
98.23357	2.7
102.04690	1.2
103.05457	5.2
105.03397	1.5
105.07021	7.1
107.04321	1.1
107.04929	4.5
111.86565	0.8
115.05463	1.4
115.24238	0.9
119.04957	7.9
121.06490	7.0
122.03646	2.7
127.03896	1.1
130.04144	1.4
130.99077	1.0
131.04919	5.2
133.02826	2.5
133.06505	6.9
135.04428	2.1
137.05975	47.8
138.06245	1.1
143.04926	1.5
144.61351	1.0
147.04405	10.5
149.05974	19.7
151.07541	2.2
153.05482	4.0
161.05975	100.0
162.06693	9.7
163.07523	3.3
165.06990	3.0
175.07562	11.6
177.05472	1.4
179.07060	6.6
182.07179	1.1
188.04680	3.4
191.07039	4.4
193.06503	3.4
193.08517	1.2
193.24530	0.9
194.07286	1.2
195.06516	5.2
203.07025	58.2
203.40698	1.1
204.07391	2.0
205.08540	1.3
207.07988	2.1
210.06813	2.8
215.07045	2.5
221.05960	8.3
221.08022	36.7
222.06612	2.0
222.08539	1.8
224.08351	1.5
225.09114	10.3
229.04938	1.2
230.05272	1.1
233.06003	1.0
233.08066	14.7
235.07559	2.0
237.09154	2.9
238.06296	2.8
239.10637	1.4
249.09100	1.7
252.07750	2.0
253.08580	18.0
254.09102	1.8
257.04535	5.6
258.04736	5.7
265.08560	4.2
266.09122	1.4
267.10123	7.7
270.08972	2.0
277.08548	3.3
279.10007	1.9
285.11191	59.1
286.11588	3.7
295.09625	4.5
297.11224	10.7
307.09595	2.0
309.11166	7.5
312.10007	1.2
325.10703	11.3
327.12259	66.3
328.12704	4.7
339.12296	5.6
345.13306	36.6
346.13605	3.2
357.13211	6.8
409.09149	3.2
410.09561	10.0
411.09427	0.9
430.43716	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.4
65.03958	2.3
69.03426	7.6
69.57024	11.9
71.01371	2.6
77.70879	2.2
79.05452	3.2
81.03365	3.1
85.02916	14.1
91.05467	14.0
93.07048	2.2
97.02891	4.9
103.05479	20.2
105.07027	12.4
107.04931	10.7
115.05443	4.2
117.06993	3.1
119.04945	10.7
121.06526	12.7
122.03661	6.9
123.04420	3.3
127.03908	6.4
130.04156	5.1
131.04918	33.1
133.06490	14.1
135.07938	3.2
137.05968	95.9
145.04948	4.5
146.03595	3.0
147.04405	21.2
149.05995	31.8
151.03914	2.4
151.07509	5.7
153.05510	7.6
161.05975	100.0
162.06747	16.4
163.07535	59.8
164.08076	4.7
167.07036	7.5
174.06793	3.6
175.07512	30.7
177.05402	4.9
177.09094	35.1
178.09401	2.7
179.07060	13.6
187.07481	3.6
188.04691	3.1
191.07037	9.9
193.06560	4.4
193.08583	19.7
195.06512	7.7
203.07019	57.1
204.07361	3.8
205.08560	4.6
209.08023	2.9
210.06621	3.2
215.07085	4.1
217.08730	5.3
221.06015	9.6
221.08090	34.4
221.11702	7.7
222.06729	2.4
225.09116	8.8
233.08064	27.7
235.07509	4.3
235.09636	10.1
237.09026	7.4
239.10614	5.4
246.35329	2.8
249.09038	2.4
253.08601	20.4
257.04422	25.8
258.04889	17.2
265.08603	10.5
267.10074	6.0
269.11554	2.6
270.08881	3.7
277.08612	4.8
285.11209	58.0
286.11496	3.3
295.09747	5.4
297.11255	13.6
299.12640	3.1
309.11017	6.5
325.10620	31.9
327.12231	76.9
328.12683	6.1
339.12146	7.5
345.13351	42.3
346.13617	2.7
357.13300	9.6
372.89420	2.7
375.18082	2.9
410.09344	6.4
572.13983	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	2.4
51.46503	2.1
60.12915	2.0
64.35602	2.6
69.03426	6.3
69.65774	5.3
69.66161	4.4
79.05476	5.2
85.02906	15.8
91.05486	14.9
93.07016	2.7
94.04206	3.0
95.05046	2.7
96.52885	2.0
97.02845	4.5
98.22665	2.9
98.75317	2.4
102.35136	2.8
103.05463	21.0
105.07040	12.4
107.04961	13.0
109.02899	2.7
109.96922	2.8
115.05488	3.3
117.07000	4.4
119.04932	15.3
121.06525	9.2
122.03638	6.8
123.04470	3.2
127.03942	7.4
131.04919	36.6
133.06502	10.6
134.03580	2.4
135.04422	4.7
135.08064	3.5
137.05978	96.0
138.06348	3.7
145.04935	3.7
145.06514	2.6
147.04398	14.1
147.08022	3.1
149.05971	23.6
151.03944	4.2
151.07561	6.6
152.04190	2.1
153.05498	3.8
156.65555	2.9
161.05977	100.0
162.06622	9.9
163.07532	52.1
165.07040	3.1
167.07054	3.4
174.06737	3.4
175.07565	28.6
177.09123	16.2
179.07077	13.3
189.09145	3.4
191.06996	5.3
193.06616	3.9
193.08604	13.2
195.06517	8.3
203.03452	1.9
203.07039	51.1
205.08635	4.2
207.10089	3.0
215.07066	4.7
217.08606	6.5
219.10147	3.7
221.06047	6.7
221.08119	26.0
222.06660	3.2
224.08347	3.8
225.09125	8.6
229.04915	4.4
230.05269	3.6
233.08060	23.6
235.09613	10.8
237.09169	4.5
238.06389	2.5
253.08649	15.3
257.04468	32.3
258.04797	30.3
265.08597	7.1
267.10211	7.1
269.11737	3.4
270.08728	2.3
285.11197	54.6
286.11499	6.2
297.11334	12.8
298.11591	2.5
298.19135	2.6
299.12936	4.3
309.11176	5.9
311.13016	2.5
313.14191	2.6
325.10742	26.3
327.12271	72.7
328.12576	6.6
339.12225	7.2
341.14026	2.9
345.13315	33.5
357.13257	9.4
410.09460	9.5
572.14417	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14686	2.1
67.05515	2.9
69.07079	3.3
69.13802	4.0
69.14204	14.4
71.08607	2.4
74.09723	7.4
78.04709	2.1
79.05502	6.5
81.07069	3.1
91.05489	4.6
95.04987	4.3
95.08627	2.5
99.12341	1.9
103.05463	25.1
105.03413	4.8
105.07044	6.8
106.04211	2.5
109.06517	2.6
119.04998	5.1
121.06513	3.4
122.03671	2.2
123.04431	6.3
124.05186	4.1
125.05954	2.4
129.06987	3.7
130.04210	2.8
131.04932	99.6
132.05266	3.4
133.02873	6.4
133.06465	3.4
135.04524	2.1
135.08035	4.2
137.05981	22.4
139.07590	4.9
141.05612	2.0
147.04449	11.3
149.06001	4.9
152.04770	3.6
153.05476	26.1
161.06017	5.1
161.09656	2.9
162.06781	7.3
163.07549	100.0
167.07051	96.1
171.42856	2.2
175.11194	2.8
177.05521	6.4
189.09148	5.5
191.07018	2.7
203.10585	2.3
207.10234	4.9
208.08952	2.2
213.05583	3.8
221.11731	21.8
225.09001	2.4
227.07010	2.4
235.13292	28.7
239.10701	2.3
271.13193	4.0
293.11841	2.2
297.14597	3.4
311.12714	3.9
315.15979	2.7
325.14459	6.7
329.17502	4.1
343.15439	39.0
344.15622	2.2
375.18048	47.6
376.18326	3.3
537.25055	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95803	2.9
55.01868	3.9
55.05506	9.5
61.02923	8.5
64.95407	3.0
67.05506	5.3
69.07060	6.8
69.30993	13.8
69.31403	5.4
71.89851	2.9
72.52663	3.3
77.76878	2.8
79.05490	9.0
81.07050	13.2
83.04993	16.9
88.23766	3.0
91.05501	18.0
93.07054	17.6
95.04972	6.5
95.08598	15.3
97.06534	5.2
97.56491	3.1
99.54848	3.6
101.06000	10.8
105.07032	16.0
107.08593	19.4
109.06521	12.9
109.10162	4.4
111.08102	3.9
117.07022	6.7
119.08568	26.4
121.06516	6.8
121.10130	9.2
123.08075	6.4
125.48532	3.7
128.06189	3.5
129.07004	4.6
131.05367	3.9
131.08578	14.4
133.06512	3.7
133.10114	13.7
133.65704	2.9
135.08055	5.5
137.05960	7.4
141.07063	5.4
142.07779	3.5
143.08556	26.7
145.06480	3.1
145.10149	16.6
147.08075	10.4
147.11668	5.0
149.09634	5.9
153.07010	5.7
155.08614	12.4
157.06552	4.9
157.10165	17.8
159.08061	8.4
159.11737	10.5
161.09639	7.9
165.07013	4.2
166.07718	5.8
167.08536	8.7
168.09271	4.0
169.10114	19.0
171.07967	3.7
171.11697	15.0
173.09654	7.8
175.11194	9.9
178.07780	3.5
179.08595	5.8
180.09372	4.4
181.10156	23.8
182.10902	4.2
183.11705	14.3
185.09586	6.7
185.13263	8.6
187.11150	18.1
189.09140	4.1
193.10121	9.6
195.08104	3.8
195.11681	16.9
196.12321	4.7
197.09567	4.9
197.13293	10.2
199.11232	3.4
201.12744	5.2
201.70834	3.0
203.08673	3.0
203.10637	4.2
205.10124	4.0
207.11607	15.1
209.09506	8.9
209.13237	15.2
211.11186	6.7
211.14912	5.1
213.12808	12.4
217.10030	6.1
218.10847	5.6
219.07932	3.7
219.11707	5.6
220.12582	3.4
221.13287	12.4
223.11324	8.0
223.14824	16.0
225.12805	4.2
227.14337	8.9
231.11711	6.2
232.12396	6.2
233.09659	3.5
233.13268	5.1
234.32581	3.2
235.11272	3.8
235.14821	10.1
237.12808	4.5
237.16368	14.0
245.13222	4.5
247.14815	10.3
249.12790	5.1
249.16353	6.5
251.14301	12.6
251.18050	3.9
253.15768	5.7
255.17278	4.0
259.14758	6.0
261.16443	7.7
263.14288	8.6
263.18033	5.5
264.15167	6.1
265.15872	31.2
265.19501	5.0
266.16605	38.5
267.17331	5.3
275.02802	4.0
277.15833	6.3
279.17419	9.3
281.15411	4.1
283.17004	5.9
283.20343	5.7
287.17935	3.6
291.17444	7.8
293.15659	6.2
293.18900	46.1
294.19595	13.0
295.20374	3.5
305.19019	5.4
309.18494	5.3
311.16589	5.9
311.19995	49.8
312.20386	6.1
323.20096	8.2
329.19049	4.4
337.21515	8.9
339.15918	6.0
341.17465	100.0
341.21106	7.2
342.17874	7.6
347.19989	7.8
351.19348	7.3
355.22723	4.9
357.20520	5.8
365.21262	19.8
369.20670	30.3
371.22412	4.5
373.23718	7.7
374.24478	6.4
383.17694	4.6
383.22217	62.5
384.22723	10.0
387.21619	23.3
395.22116	6.3
401.23233	64.4
402.23904	5.8
403.25027	3.7
411.21310	3.7
413.23279	18.9
415.25241	4.9
419.24252	9.4
423.21707	10.0
431.24490	16.8
433.22211	11.9
435.18158	3.5
441.22858	16.8
445.99280	3.4
449.25473	7.0
459.17783	5.3
459.23773	58.5
461.25412	39.6
462.25848	4.2
477.24930	33.6
478.24777	4.9
479.26318	5.9
572.18701	24.6
572.28687	6.9
573.22760	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.1
57.03436	4.0
57.43132	4.5
60.05676	4.3
67.05507	13.3
67.79377	4.3
69.07069	6.4
71.30440	8.2
72.79546	4.1
79.05515	11.6
81.03418	5.9
81.07042	11.3
81.62214	4.0
83.04049	4.3
83.04987	14.3
91.05489	16.2
93.07056	17.4
95.04989	6.5
95.08582	7.3
97.02853	4.9
105.07018	12.1
107.08584	8.9
109.06501	8.6
117.07090	4.4
119.08550	7.8
121.06511	5.4
121.10183	7.0
125.31183	3.7
131.08595	7.2
133.10121	6.6
143.08595	6.7
145.06551	9.8
145.10132	9.1
157.10165	4.4
181.10104	5.1
207.11685	4.8
232.51761	3.8
235.72949	4.4
367.18872	36.0
368.19110	87.8
369.19617	5.0
459.25198	4.5
465.26489	5.6
466.26477	52.0
470.50519	4.2
552.18280	4.8
572.29352	100.0
573.26990	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.7
57.07072	2.1
67.05496	3.3
69.07076	1.8
71.08593	1.3
76.24199	0.8
81.07050	2.2
83.08594	1.1
89.06034	2.2
91.05482	1.6
93.07029	1.4
95.04962	0.9
95.08635	2.1
105.07028	2.0
107.08654	1.0
112.72811	0.9
119.08608	2.2
121.10232	1.0
126.97865	1.0
131.08572	1.2
133.10109	1.2
145.10085	1.4
159.08000	1.3
169.84441	1.1
183.08052	1.2
191.86179	1.0
197.06036	1.3
203.10573	0.9
209.09644	1.5
210.06775	1.3
211.07524	2.2
220.08873	1.3
221.09605	1.7
221.11629	1.0
223.07506	1.7
225.09131	1.3
226.06241	1.5
227.06978	1.3
228.07716	1.0
229.28712	0.9
233.09586	1.6
234.75955	0.9
235.11118	3.6
237.05338	1.4
237.09128	3.6
237.12727	1.0
238.09993	1.1
239.07007	3.2
239.10530	1.1
241.04974	1.8
241.08766	1.2
242.05811	1.6
247.07649	1.2
248.08322	2.3
249.09259	4.5
250.09789	1.7
251.07001	1.8
251.10721	3.7
252.04102	1.4
252.11537	1.5
253.08615	2.5
253.12189	3.9
254.09351	1.3
255.06773	1.1
256.07355	3.6
257.08121	2.6
259.06036	1.5
261.09045	1.6
262.10031	1.5
263.10703	7.1
264.11234	1.3
265.08615	6.3
265.12265	3.5
266.05673	2.0
266.09332	2.7
267.06494	5.0
267.10019	1.5
268.07205	1.5
269.04446	2.6
269.11761	2.8
270.08893	1.2
271.09702	2.8
277.08588	4.4
277.11829	1.2
278.09241	1.5
279.06790	1.7
279.10089	4.4
280.07468	1.7
280.10907	4.6
281.08173	3.9
281.11728	10.0
282.08768	1.9
282.11996	1.5
283.06305	1.1
283.09616	1.9
284.06821	8.4
285.07593	14.2
285.10983	1.6
291.09995	5.5
292.11096	2.3
293.08136	2.9
293.11731	6.2
294.08862	2.9
294.12482	2.4
295.09607	2.9
295.13272	8.4
296.13858	2.2
297.11151	5.6
298.08447	1.6
298.11688	1.1
299.09174	8.1
300.09802	5.2
303.08350	1.2
307.09595	3.8
308.10324	5.2
309.11203	14.2
310.11926	4.4
311.12463	1.0
312.13452	2.5
313.14365	2.5
314.11484	10.7
317.10196	2.1
322.11993	4.6
323.12619	10.1
324.13620	5.8
325.10617	4.6
325.14301	6.9
326.11380	3.0
327.15866	2.8
330.10901	1.1
337.13962	1.0
340.12961	11.0
341.13858	32.6
342.14069	2.1
345.13239	1.6
355.15393	65.3
356.16135	89.6
357.16751	4.9
359.18585	5.3
387.17999	100.0
388.18344	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
55.05502	5.7
57.07073	3.1
67.05499	4.2
69.07059	2.9
69.08416	9.9
75.68298	1.0
78.52774	1.0
79.05502	4.0
81.07066	4.2
83.04988	2.2
83.08610	2.1
89.06040	1.7
89.45113	0.9
90.06339	1.0
91.05487	5.0
92.46374	0.9
93.07042	7.5
95.04972	1.4
95.08643	5.4
96.05272	1.3
97.06519	2.3
105.07065	2.8
107.08593	5.9
109.10182	2.0
111.04446	26.3
111.08091	1.7
117.06981	1.6
119.08607	3.4
121.10179	1.7
123.08053	2.4
125.05988	5.9
128.06190	2.3
129.07045	1.2
133.10146	1.3
135.08080	4.1
135.11681	4.9
143.08533	11.7
145.10138	7.1
146.10526	1.7
147.04434	3.7
153.05507	10.0
153.12769	1.7
160.08952	1.1
161.06038	1.1
161.09660	1.3
163.11145	6.7
164.04639	1.3
167.07060	2.9
171.08047	9.4
175.11143	1.2
178.06319	1.4
179.06990	2.2
181.12230	34.1
182.12616	1.5
189.09114	13.0
192.07787	1.5
203.10762	1.8
207.10219	2.8
217.23640	1.0
221.11726	100.0
222.12033	3.6
291.20032	1.1
355.15317	2.5
375.18130	1.4
572.35718	2.2
584.90845	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.5
57.07071	0.4
67.05491	0.8
69.07061	0.5
71.30276	0.6
71.85721	0.3
79.05492	1.2
81.07048	1.1
86.39746	0.3
91.05475	0.7
93.07024	1.0
94.97929	0.3
95.08592	0.9
98.85349	0.3
105.07042	0.8
107.08569	0.5
109.10172	0.6
111.04433	1.2
119.08578	0.7
125.05985	0.5
129.06996	0.5
131.08594	0.4
131.19643	0.3
133.10109	0.5
135.11670	0.7
145.10110	0.7
147.11766	0.4
153.05505	0.6
159.11644	0.4
165.06902	0.5
167.07040	0.7
171.08006	0.4
173.09677	0.9
179.08539	0.4
181.06511	0.5
181.12230	1.8
192.09322	0.6
193.10187	0.6
197.06023	0.4
200.16934	0.4
201.09074	1.2
202.09903	1.3
205.10312	0.4
209.09636	1.0
210.06752	1.0
210.62129	0.4
211.07597	0.8
213.08594	0.3
215.12651	0.3
219.08087	1.3
220.08902	1.6
221.06010	0.4
221.09738	0.7
221.11743	2.3
223.07573	0.4
225.09113	0.9
226.06267	0.7
233.09682	0.8
234.06613	0.6
234.10336	0.8
235.07571	0.7
235.11150	2.5
236.11896	0.6
237.09108	3.0
238.06255	0.9
238.09897	0.6
239.06987	1.0
239.10582	0.7
240.07773	0.6
241.05016	1.0
241.08643	0.7
245.09966	0.4
247.07515	0.9
248.08324	2.9
249.09093	3.7
250.06190	0.5
250.09761	0.6
251.07021	0.7
251.10690	1.5
252.11418	2.2
253.08510	1.0
253.12236	0.8
254.09410	1.6
256.07169	1.8
257.07938	0.4
261.09100	1.2
262.09964	1.1
263.06903	0.8
263.10681	6.6
264.07941	0.4
264.11353	2.4
265.08606	8.0
265.12173	1.4
266.09308	1.6
267.06516	0.6
267.10281	0.9
267.13803	1.8
268.07333	0.4
269.11624	0.8
270.08908	0.5
271.09677	1.1
277.08585	8.2
278.09329	1.5
279.07004	0.5
279.10190	2.2
280.10895	8.0
281.08432	0.8
281.11508	3.4
282.08838	1.1
283.09454	0.5
284.06799	1.2
285.07645	0.8
291.10104	2.0
292.10867	1.5
293.08078	2.5
293.11731	2.5
294.08835	2.0
294.12534	1.4
295.09897	0.6
295.13226	8.7
296.13791	1.7
297.11166	2.4
299.09174	2.0
307.09549	1.0
308.10428	2.2
309.11179	7.7
310.08362	0.6
310.11823	0.8
312.13553	0.7
313.10556	1.0
317.10016	0.8
322.11887	0.4
323.12784	8.3
324.13507	7.8
325.10730	3.3
325.14334	1.5
327.12402	0.5
327.15915	1.4
340.12991	3.8
341.13879	1.0
345.13239	0.6
355.15384	100.0
356.15897	12.5
387.17999	12.1
388.18408	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21685	2.4
55.05511	3.5
55.85686	2.1
57.07078	5.1
62.63719	2.4
67.05498	7.1
69.15763	14.6
69.16176	5.0
79.05479	3.8
81.07050	6.9
89.06024	15.1
90.06359	4.2
91.05482	5.1
93.07034	7.8
94.31776	2.5
95.08636	5.5
96.08130	5.5
98.22612	5.4
100.31529	2.7
104.10748	3.5
105.07034	4.0
107.08579	7.2
108.08125	7.3
109.10105	3.0
119.08598	3.6
132.08047	2.8
133.08623	8.9
134.08958	3.6
135.11681	8.1
160.07544	13.0
161.07930	4.0
163.11183	2.5
173.09752	3.0
177.11185	4.8
179.41957	2.2
181.20399	2.2
211.07538	4.3
214.51505	2.2
225.09059	3.6
227.07048	5.4
233.09694	3.1
235.11121	2.4
237.09145	6.9
241.08531	2.7
249.09076	4.4
253.08490	4.7
255.06508	2.5
256.07275	3.3
257.07996	4.1
259.06015	2.6
263.10724	4.8
264.11392	2.3
265.08652	7.5
265.12277	4.0
267.06497	6.1
269.11835	3.2
270.08923	2.7
271.09616	6.0
277.08658	4.9
279.10168	5.8
280.10977	7.8
281.08237	5.1
281.11667	9.0
284.06760	3.6
285.07565	12.7
287.08981	6.3
291.10144	4.0
293.08145	5.5
293.11652	5.8
294.08789	3.9
295.10303	3.2
295.13193	15.1
297.11203	6.3
299.09137	8.7
300.09769	4.0
301.10837	4.7
302.11575	7.6
308.10327	8.2
309.11273	15.6
309.14468	3.0
312.13501	6.1
314.11499	12.7
322.12051	4.8
323.12711	11.7
324.13477	10.4
325.10773	3.7
325.14221	11.5
327.15887	7.9
333.13525	3.2
340.13025	7.0
340.16672	7.5
341.13788	33.6
355.15378	100.0
356.16144	99.8
357.16602	9.8
359.18628	5.7
371.18457	6.5
387.18015	98.2
388.18344	10.9
403.21155	31.4
413.39987	3.8
547.37244	2.8
571.46112	9.9
572.46289	28.1
573.34021	65.0
573.47821	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63132	2.3
55.05509	7.7
67.05496	7.0
69.07069	4.2
79.05489	7.4
81.03400	4.5
81.07064	16.0
85.02897	10.1
91.05501	7.7
93.07047	15.0
95.04990	2.9
95.08608	35.9
97.02914	3.0
97.06509	3.1
105.07039	15.0
107.08594	10.8
109.10140	10.0
110.89460	2.4
117.07062	4.0
119.08578	11.8
120.32203	2.4
121.10121	21.6
123.08090	3.8
123.11718	3.5
127.03972	4.2
129.47890	2.6
131.08603	5.8
133.10120	10.1
135.11687	9.7
143.08537	7.7
145.10124	10.9
147.11710	7.2
149.09662	2.8
149.13261	5.0
155.08530	5.7
157.10112	7.0
159.11684	7.4
161.09654	3.3
161.13211	4.3
165.12773	3.8
169.10066	5.0
171.11693	6.2
173.13274	11.5
175.14758	6.2
178.34482	2.5
181.35817	2.9
183.11703	5.1
185.13246	5.6
197.13135	3.6
199.14847	6.7
215.14354	2.8
217.15945	5.0
229.37395	3.7
253.19522	3.0
269.22684	2.8
271.20718	4.9
279.21066	7.7
289.21542	4.4
297.22052	11.8
315.23193	69.3
316.23691	6.5
333.24240	100.0
334.24628	6.2
335.09363	2.9
410.25446	4.1
441.24362	4.4
572.27264	26.0
573.28668	49.2
592.67035	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41696	1.2
55.05515	1.6
57.07066	3.4
58.23536	1.3
67.05494	2.0
69.07103	1.4
71.08649	1.5
79.05491	2.6
81.07051	3.0
83.08620	1.4
89.06038	11.6
90.06396	2.1
91.05498	4.4
93.07048	13.3
95.08589	2.0
98.22602	2.2
105.07025	2.2
107.08585	10.9
108.08123	2.5
121.10139	1.4
133.08618	4.3
135.11700	20.4
154.32179	1.6
160.07565	6.6
161.07906	2.2
172.72383	1.3
197.06047	1.5
199.07588	2.3
211.07521	2.3
213.05534	1.8
213.09081	2.5
226.06271	1.8
227.07013	15.9
228.07655	2.6
229.08661	1.5
237.09013	2.3
239.07027	2.4
240.07967	1.7
241.08559	5.8
242.05656	1.5
242.09370	4.1
243.06555	4.0
244.07359	1.5
248.27946	1.7
251.10681	2.6
255.06628	3.3
255.10258	2.0
256.07300	3.0
257.08044	4.8
258.08936	3.9
259.09628	2.2
263.10852	2.3
265.08594	2.0
265.12299	2.1
268.07315	1.8
269.08124	4.6
270.08997	3.2
271.06418	2.5
271.09653	9.9
272.06812	2.4
272.10153	1.4
273.11255	3.3
279.10263	2.8
280.10712	2.5
281.11850	4.2
283.09662	2.6
283.13086	1.5
285.07538	6.5
285.11072	1.8
286.08405	6.2
287.09128	14.2
291.10104	1.6
293.11615	2.2
295.13287	3.1
299.09137	3.4
300.09995	2.4
301.10681	12.6
302.11465	25.8
303.08765	1.5
303.11960	3.0
308.10489	2.4
309.11154	5.5
309.14560	1.9
313.14120	2.8
314.11441	1.7
323.12845	3.0
324.13678	1.9
325.14270	13.4
326.14771	1.9
327.15747	1.8
331.11722	3.8
333.13275	7.7
340.13055	3.0
340.16647	32.3
341.13660	9.9
341.17007	2.7
355.15439	22.5
356.16122	24.1
357.16788	3.4
370.17358	1.8
371.18564	19.7
371.22858	2.5
372.19122	3.0
387.18045	23.4
388.18732	5.9
403.21167	100.0
404.21579	7.6
413.39752	1.6
571.45770	3.1
572.46545	10.5
573.33185	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07054	14.3
67.05500	39.8
69.07063	20.7
69.08385	100.0
79.02646	11.7
79.05495	30.8
81.07066	24.9
82.39812	13.7
83.08607	17.8
89.43931	11.8
91.05465	25.7
93.07027	29.9
95.08604	52.9
98.23359	24.6
105.07029	23.0
107.08634	20.2
109.10175	18.0
115.16130	12.6
119.08588	15.6
121.10120	24.0
131.08563	22.1
133.08566	13.9
133.10185	14.9
135.11766	17.5
145.10101	26.8
147.11778	16.8
171.11606	14.8
173.53632	13.0
201.16312	16.3
202.12415	13.0
221.11621	13.6
256.26266	20.6
300.36975	12.7
322.17596	13.7
355.15408	57.0
387.17902	21.4
400.97690	13.8
421.31000	18.3
447.30453	16.7
449.29959	17.6
490.30310	28.4
573.48621	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.9
57.07079	28.2
59.05000	1.3
62.01374	1.2
67.05505	4.2
69.07079	1.9
70.94357	3.3
71.08633	24.4
73.06564	7.8
79.05497	1.7
81.07053	4.2
83.04967	2.0
83.08616	3.6
85.10178	24.8
87.04469	7.0
89.06033	100.0
91.05505	1.6
91.07542	1.6
91.76222	1.3
93.07046	2.5
95.08621	2.4
97.10156	2.0
99.11707	2.4
107.07046	3.5
107.08583	1.8
109.10158	2.3
117.09135	4.0
120.79608	1.2
130.08612	2.0
131.07060	1.6
133.08601	47.3
135.11705	1.9
141.16385	5.0
161.11818	1.6
175.09724	1.7
177.11224	18.4
185.19014	5.1
210.13152	1.4
220.14371	1.5
221.13826	4.8
229.21571	6.8
273.24216	3.2
415.25223	2.4
467.30603	1.4
555.40894	2.4
573.32117	2.0
573.48480	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.9
57.03438	21.4
57.07079	38.3
67.05514	30.1
69.07070	18.1
70.32049	9.9
71.08627	33.1
74.07378	4.1
79.05517	18.7
81.03420	82.4
81.07057	28.0
83.04996	6.0
83.08611	19.5
85.10178	13.9
88.09416	3.6
91.05477	23.7
93.07055	13.7
95.04974	16.4
95.08598	29.8
97.10173	8.3
98.22836	6.5
105.07038	16.4
107.04980	7.9
107.08608	7.9
109.10149	11.9
114.99639	3.9
117.07031	4.6
119.08567	13.2
121.10127	6.2
125.09686	4.1
129.07018	9.9
131.08569	8.3
133.10139	7.3
145.09961	3.7
147.11719	6.1
157.10092	5.1
175.11308	4.1
193.12247	23.6
207.38387	3.6
245.22693	3.7
267.15906	100.0
268.16162	7.6
283.26257	4.5
295.42371	4.0
313.27350	87.8
314.27625	7.7
385.51733	4.0
489.36404	3.8
505.38895	66.1
506.38885	7.5
509.64374	3.9
557.56110	4.8
572.46503	6.7
573.25061	4.3
573.49097	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42332	0.3
55.01859	0.4
55.05493	0.7
56.46490	0.4
57.61884	0.3
67.05489	0.9
69.03434	0.4
70.86338	0.6
79.05490	1.1
80.99918	0.3
81.03404	1.4
81.07055	1.3
83.04977	0.3
85.02855	0.3
87.66676	0.4
91.05488	0.7
93.07092	0.6
95.04950	0.5
95.08599	0.7
96.99897	0.3
97.06584	0.3
105.06979	0.6
107.04972	0.6
107.08630	0.4
109.10105	0.4
110.93972	0.4
111.04468	0.4
119.08653	0.4
121.10098	0.5
131.08536	0.4
137.06003	0.4
173.05995	0.6
185.04204	0.4
242.27759	0.3
252.24783	0.4
257.71527	0.4
271.13416	0.4
285.14850	0.7
313.14368	0.4
395.14502	1.5
396.15689	0.4
411.17773	5.0
412.18201	0.7
573.23071	100.0
573.29785	3.9
574.23401	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.5
69.03453	1.0
70.06598	0.5
70.54769	0.4
70.89362	0.6
70.89681	0.5
79.05479	0.5
81.06496	0.3
81.07047	0.5
90.06668	0.4
91.05460	0.4
114.42885	0.5
123.04426	1.0
137.06010	1.3
143.03239	0.6
144.08113	4.1
160.02882	0.4
161.10756	0.7
203.05264	0.6
245.06564	2.9
271.79056	0.4
328.12671	0.5
347.09518	0.6
353.15482	2.3
365.10544	17.7
366.10776	0.7
411.20050	1.1
436.38986	0.4
469.75674	0.5
515.21014	12.0
516.21143	1.0
573.25177	100.0
574.25500	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28516	5.9
55.05512	15.6
57.07076	34.0
67.05505	47.5
69.03734	48.8
69.04147	15.4
69.07066	21.1
71.08632	27.5
79.05509	38.3
79.74630	5.1
81.07059	53.9
83.08642	17.6
85.06558	6.4
85.10196	8.7
87.04489	20.1
89.06030	8.1
91.05477	24.1
93.07036	44.0
95.08612	52.0
105.07053	18.4
106.33087	5.7
107.08607	28.1
108.08142	10.1
109.10191	30.7
117.07006	5.7
119.08621	14.6
121.10144	17.8
121.43195	7.1
121.80475	5.8
123.11710	6.9
131.08563	14.0
133.10226	10.3
135.11661	15.0
145.10176	10.6
147.11755	8.3
149.13220	7.4
159.11731	8.4
160.07550	10.6
187.14944	6.4
201.16510	8.1
239.23637	7.6
252.69380	6.0
261.22147	9.1
298.49481	7.5
317.24667	10.1
355.15161	33.5
369.11035	51.0
426.25983	7.3
572.46851	16.9
573.33264	100.0
573.48224	94.5
574.33820	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.303
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
51.27370	1.0
55.05513	6.8
57.03432	6.3
57.07077	31.1
67.05510	13.7
69.07068	5.2
69.41193	7.8
71.08630	21.1
75.79999	1.0
79.05507	3.9
79.63843	1.0
81.03409	5.2
81.07052	14.9
83.08610	8.0
85.10184	10.2
91.05497	3.3
92.10146	1.3
93.07024	6.3
95.08611	15.1
97.10159	2.9
98.23381	2.3
98.98464	36.3
99.04463	1.1
105.03415	1.4
105.07027	2.6
107.08596	2.7
109.02866	3.9
109.10173	6.8
121.10148	2.3
123.11671	3.0
131.08572	1.5
145.10118	1.9
155.01022	22.7
173.02180	2.8
179.10666	1.3
239.23674	4.5
261.03625	2.0
272.87668	1.8
313.27341	100.0
314.27826	6.5
317.06424	2.8
335.07434	3.6
384.24573	1.4
393.23999	4.6
401.28949	2.6
425.19849	1.3
537.27832	1.4
573.48907	8.5
581.13507	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.4
55.47738	1.2
57.07078	13.7
64.99741	1.4
67.05512	16.6
68.62772	1.1
69.07080	5.8
70.38164	1.1
71.08628	10.6
71.31448	1.3
79.05497	11.3
81.07054	15.6
83.08628	4.0
85.06555	1.3
85.10184	5.1
87.04495	4.3
91.05495	6.3
93.07051	12.9
94.42785	1.2
95.08613	15.5
97.10210	3.0
105.04582	1.4
105.07059	5.7
107.08609	7.1
109.10141	6.5
113.75874	1.2
117.07034	2.2
119.08569	2.9
121.10164	5.9
123.11729	3.8
131.08562	2.2
133.10190	2.9
135.11731	5.0
145.10117	3.7
147.04805	1.2
149.13329	3.4
154.29454	1.1
159.04196	3.9
159.11737	2.3
163.15005	1.4
181.08549	1.4
201.16425	1.9
235.13484	1.3
239.23737	2.6
243.17270	3.6
261.22205	4.1
313.27414	2.8
315.63773	1.2
317.24869	3.3
353.17230	93.8
354.17560	7.9
377.57300	1.3
387.85300	1.3
506.33063	1.3
573.35541	100.0
573.48431	21.9
574.35767	13.6
574.49365	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.7
51.02380	1.2
53.03950	6.1
55.01865	1.0
55.05511	34.5
57.03430	2.1
57.07074	63.9
58.07392	1.8
65.03941	5.3
67.05502	80.5
68.05823	2.0
69.03418	1.0
69.07065	38.2
69.25684	5.1
70.07392	1.5
70.43598	0.7
71.04987	1.7
71.08630	41.7
76.47087	0.6
77.03928	1.1
79.05491	61.4
80.05825	2.6
80.94855	2.5
81.03413	1.4
81.07053	81.3
82.07400	2.1
83.04982	2.1
83.08615	26.8
84.08972	1.3
85.06541	2.1
85.07032	0.8
85.10178	21.8
87.04446	1.9
91.04899	1.3
91.05478	34.4
93.07038	60.0
94.07369	2.3
95.04962	7.1
95.08602	74.0
96.08946	2.4
97.06516	2.5
97.10166	14.3
98.23172	2.2
99.08075	1.7
99.11738	1.5
104.99268	7.1
105.04511	2.4
105.07026	20.6
106.07403	1.0
107.04914	0.8
107.08593	28.5
108.08929	0.9
109.06525	2.3
109.10147	31.3
111.08098	1.6
111.11720	3.8
113.09634	0.7
113.13291	0.8
117.07021	6.3
119.08566	13.5
121.10140	24.1
122.10436	0.9
123.08043	1.1
123.11700	9.7
125.13278	1.5
131.08571	10.7
133.10129	10.1
135.11688	14.1
137.13242	4.4
139.14693	0.8
145.10147	6.5
147.11690	7.5
149.13269	7.7
151.14821	1.5
159.11705	6.5
161.13242	3.5
163.14870	2.7
173.13293	3.3
175.14882	1.7
177.16380	0.9
186.99597	1.2
187.14729	1.9
215.36743	0.8
216.00717	0.9
221.22658	1.7
233.22537	1.1
239.23683	11.6
243.21027	4.4
244.95380	1.5
256.26416	1.6
261.22122	12.9
263.23752	1.0
268.99963	1.9
269.83768	0.8
313.27374	5.4
317.24734	4.9
333.24286	0.9
499.44809	1.0
567.91132	1.7
573.48706	100.0
574.49139	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
54.76397	1.3
59.28954	1.2
59.54890	1.2
60.54140	1.3
69.03445	2.2
70.06611	1.9
73.02924	1.7
79.05510	1.8
81.03419	2.0
85.02914	5.7
91.05492	13.4
93.07113	1.3
97.02905	2.2
103.05471	10.9
107.04960	1.6
115.05490	1.6
119.04955	22.5
121.06444	2.6
121.16473	1.3
122.03658	3.1
123.04443	17.6
125.05966	1.6
127.03927	2.5
131.04938	18.8
133.06509	2.7
135.04494	2.0
136.05193	3.7
137.05981	100.0
138.06363	2.4
139.03917	5.9
144.08154	2.5
145.04875	1.5
147.04393	9.3
149.05960	4.8
151.03937	2.6
151.07545	27.9
161.06033	4.6
163.03943	4.0
163.07550	35.0
163.08916	2.2
175.07587	6.1
179.03398	3.1
179.07016	3.7
181.08600	46.5
181.10144	2.8
189.09128	2.0
197.08189	1.5
203.03439	1.9
205.08707	2.8
209.07533	1.4
241.04895	1.8
245.04462	3.2
257.04446	18.3
269.04529	1.6
271.05914	1.8
275.05545	1.9
279.10065	4.4
287.05487	2.0
299.05603	1.7
299.12744	5.5
311.12869	5.8
313.14410	1.7
329.13950	8.2
341.13049	1.3
349.07181	1.8
359.14832	3.7
395.07599	2.9
409.09277	2.3
423.06915	2.4
539.09808	2.7
557.10919	7.3
561.71832	1.7
575.11493	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31498	5.6
52.30507	6.4
57.03434	18.2
69.03427	35.8
69.10667	42.0
69.11075	9.5
73.02911	6.9
85.02910	39.1
87.04456	20.7
88.90096	7.2
91.05487	16.1
91.82380	6.2
95.04968	14.0
97.02897	41.2
98.22635	14.3
107.04951	16.1
115.03939	32.4
115.05466	7.1
115.08359	7.0
119.04960	14.7
121.06488	8.9
127.03941	8.0
129.06978	9.9
131.04904	11.5
133.04951	31.9
137.05974	100.0
145.04951	15.8
146.07231	8.4
147.04306	11.7
150.07700	9.3
151.07568	46.0
161.05975	81.8
161.09590	20.6
162.06807	6.6
163.06155	7.2
163.07512	11.9
174.06755	11.5
175.07541	16.0
177.09149	7.0
189.09064	53.2
191.61882	7.3
195.08220	8.9
195.10036	10.5
203.07018	7.9
207.10097	73.6
219.08208	7.9
219.10165	27.9
221.05852	9.2
229.06992	7.8
237.08899	7.0
253.08655	18.0
265.08801	18.6
270.08820	8.1
277.08609	9.6
279.10217	8.3
285.11157	9.3
287.12714	10.6
295.09787	8.6
297.11157	27.9
311.12811	9.0
329.13760	32.8
331.15335	22.5
337.14362	9.3
355.15186	17.5
405.54031	6.9
479.20422	12.5
574.22253	20.9
574.30670	45.1
575.29791	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
63.55163	5.3
66.13708	4.9
69.16885	21.0
69.17308	25.2
73.02913	6.6
79.05466	6.0
85.02905	9.3
85.32291	5.3
91.05485	27.8
91.46198	5.0
95.04959	10.5
105.07050	7.2
107.04971	9.8
115.03950	6.7
115.05415	6.3
119.04955	18.8
122.03606	11.2
127.03870	5.0
129.07011	9.8
131.04926	7.4
133.02884	7.8
133.04977	9.0
137.05981	92.9
147.04369	15.9
149.05998	13.0
151.07535	38.1
159.07986	6.8
161.05981	100.0
161.09663	18.2
162.06667	8.5
163.07501	11.0
165.07016	10.5
174.06775	9.0
175.07545	33.4
189.09103	46.5
191.08562	8.4
195.10202	8.1
207.10120	74.6
209.05869	6.7
219.08325	6.6
219.10123	37.8
225.09052	6.8
237.09012	8.2
242.55560	5.9
249.09021	6.9
251.07097	6.7
253.08592	23.0
255.10248	7.0
265.08731	10.1
267.09961	8.5
279.10156	16.4
283.09720	9.4
285.11267	10.4
287.12848	8.1
296.62274	6.1
297.11176	31.2
311.12766	13.9
329.13800	39.0
331.15338	16.3
332.81970	5.3
337.14307	6.9
355.15430	23.2
367.15375	10.4
463.10168	5.4
479.20416	21.5
556.21600	8.7
574.21478	8.0
574.29211	23.3
575.24237	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	31.7
58.35825	3.4
63.29845	3.5
69.11053	13.0
69.11474	17.8
79.05486	6.4
81.07062	10.9
82.07380	3.7
91.05486	6.9
93.03397	3.7
93.07030	5.3
94.07825	3.5
95.08651	3.3
103.05470	17.3
105.07047	6.6
107.04952	10.4
109.06520	5.8
111.04447	5.4
113.81256	4.0
119.04924	3.7
121.06523	7.4
123.04469	10.4
125.06010	4.2
131.04930	42.7
131.36334	3.5
135.04396	4.3
135.08041	4.3
137.05971	100.0
138.06320	7.1
138.53569	3.1
141.07045	3.4
149.06029	5.1
151.03949	18.4
153.05431	7.9
153.90169	4.3
159.11662	3.8
159.49251	3.4
161.05960	10.1
161.09659	4.4
163.07504	34.2
167.06958	4.8
169.06479	3.7
175.07458	6.4
177.05470	11.8
178.06305	7.6
179.07089	5.9
181.06482	3.7
181.08479	4.9
189.09090	7.1
195.06561	43.7
197.64902	3.6
198.73927	3.6
204.10941	3.7
207.10152	4.6
219.08183	3.9
297.11166	4.2
323.89569	3.8
557.23126	4.6
574.23358	4.4
575.23425	37.5
598.16248	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13128	8.0
69.03427	14.4
70.40821	10.8
70.41150	18.9
73.02891	10.8
81.57320	8.4
85.02904	19.8
91.05490	9.6
97.02892	26.4
115.03925	11.2
119.04932	8.1
123.04371	14.3
124.56087	7.3
133.05003	17.7
137.05971	43.9
139.81546	8.9
159.08098	9.7
161.05933	14.2
179.69403	7.9
180.79649	8.7
187.07622	13.3
211.05994	10.4
243.10068	12.4
273.11304	13.3
289.08606	10.8
386.35641	10.4
397.16483	100.0
398.16684	10.8
453.48383	9.5
521.21143	10.2
584.87573	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44087	1.2
54.19321	1.3
54.29367	1.2
54.64170	1.1
55.01865	5.3
56.10928	1.4
57.03431	22.1
58.36045	1.1
59.04983	4.6
61.02904	4.3
65.28633	1.3
69.03426	74.9
70.03726	1.6
71.01357	3.2
71.04970	1.3
71.29056	2.3
71.44724	1.4
71.59199	1.3
73.02914	16.8
75.04491	2.3
81.03399	5.8
83.01308	2.4
83.04990	1.9
85.02901	58.7
87.04460	40.9
91.03948	1.7
97.02885	76.1
97.88944	1.3
99.04445	5.0
103.03929	2.7
107.04908	1.6
109.02898	1.8
111.04434	3.1
113.09665	2.0
115.03923	80.7
116.04277	1.7
117.05448	1.9
123.04422	3.8
126.74182	1.6
127.03933	13.7
133.04958	100.0
134.05342	2.0
137.02362	1.8
139.03896	3.9
145.04959	11.3
150.07625	5.0
151.03911	1.4
157.04926	10.4
163.06021	5.1
165.05484	3.7
167.07039	2.4
169.05019	2.5
175.06010	2.9
187.05965	2.2
211.05978	6.0
223.05966	2.3
228.09035	1.4
229.07033	21.9
234.98820	1.3
241.06953	2.5
247.08122	8.9
253.45714	1.5
259.08167	5.1
265.09137	8.9
277.09186	2.2
292.83691	1.2
295.10315	3.9
312.13123	1.7
363.00632	1.5
421.08957	1.7
574.29407	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05629	3.8
67.05502	8.1
69.03439	5.9
69.08427	16.5
69.08853	19.9
71.08637	5.3
71.85982	3.7
79.05497	16.2
80.53822	3.6
81.07062	72.2
91.05515	4.2
95.08599	6.3
105.07035	4.2
107.08610	6.3
109.06531	25.0
117.07002	4.7
119.08606	5.1
120.19690	3.8
137.05974	100.0
141.33354	4.2
145.10117	7.6
155.07115	3.9
155.08522	9.4
163.07495	4.7
169.10089	4.4
173.09662	6.7
187.11208	10.3
191.07004	5.1
225.12787	6.9
227.14336	4.8
239.96397	3.8
251.91742	4.6
265.15836	4.0
269.15219	5.2
315.15958	16.7
375.17969	26.2
405.20697	44.3
406.21164	6.7
421.23813	10.2
433.19748	8.8
447.21808	10.5
451.21185	72.1
452.21362	6.3
465.22650	12.4
469.22076	19.8
511.23120	9.5
574.22064	6.9
574.30072	46.8
575.30646	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.2
57.07074	18.4
60.05651	12.0
67.05500	41.7
69.03428	12.8
69.14599	81.0
71.08617	14.0
79.05489	22.8
81.07044	84.4
85.10186	13.7
91.05496	14.9
93.07037	19.2
95.08614	31.2
97.10159	14.2
98.22589	19.1
98.69802	10.0
98.85225	11.2
105.07063	16.1
107.08584	14.6
109.06528	27.7
113.54047	9.9
119.08588	15.9
129.07121	13.4
129.08284	9.4
131.08553	13.0
131.45181	8.8
133.10126	14.5
137.05960	69.5
145.06505	9.8
185.45956	10.7
203.07002	10.1
433.20209	23.4
451.21103	22.4
454.22906	30.0
493.21951	21.3
511.23361	13.5
514.25397	13.4
543.24811	10.9
574.30206	100.0
574.49426	12.1
575.25824	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45983	1.5
55.01863	4.8
57.03436	22.2
59.04985	1.8
60.04509	2.6
61.02939	1.9
69.03429	67.2
69.08374	13.4
69.28882	1.7
70.03740	1.7
73.02928	11.5
79.05515	1.6
79.39415	1.5
80.23405	1.4
81.03412	3.6
85.02905	75.4
87.04469	42.4
91.03950	1.6
97.02891	72.2
99.04450	5.0
99.22644	1.5
103.03950	3.4
109.02872	5.3
115.03931	76.2
123.04395	1.9
127.03903	17.8
133.04965	100.0
134.05255	1.7
137.05974	2.5
139.03905	4.6
145.04959	30.9
150.07637	7.8
151.03941	1.8
157.04979	4.8
163.06049	13.7
175.06075	2.1
179.38557	1.5
192.92982	1.9
193.04991	2.4
211.05995	4.0
227.75754	1.7
229.07060	12.6
241.07005	3.0
247.08141	5.5
259.08182	8.0
265.09192	7.8
277.09381	4.0
293.19565	3.3
295.10233	6.1
335.09467	1.8
350.44058	1.4
377.59534	1.9
434.08353	2.0
574.28784	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45983	1.5
55.01863	4.8
57.03436	22.2
59.04985	1.8
60.04509	2.6
61.02939	1.9
69.03429	67.2
69.08374	13.4
69.28882	1.7
70.03740	1.7
73.02928	11.5
79.05515	1.6
79.39415	1.5
80.23405	1.4
81.03412	3.6
85.02905	75.4
87.04469	42.4
91.03950	1.6
97.02891	72.2
99.04450	5.0
99.22644	1.5
103.03950	3.4
109.02872	5.3
115.03931	76.2
123.04395	1.9
127.03903	17.8
133.04965	100.0
134.05255	1.7
137.05974	2.5
139.03905	4.6
145.04959	30.9
150.07637	7.8
151.03941	1.8
157.04979	4.8
163.06049	13.7
175.06075	2.1
179.38557	1.5
192.92982	1.9
193.04991	2.4
211.05995	4.0
227.75754	1.7
229.07060	12.6
241.07005	3.0
247.08141	5.5
259.08182	8.0
265.09192	7.8
277.09381	4.0
293.19565	3.3
295.10233	6.1
335.09467	1.8
350.44058	1.4
377.59534	1.9
434.08353	2.0
574.28784	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.0
55.01884	5.0
55.05507	22.1
67.05503	45.6
69.03426	5.2
69.07064	10.8
71.30802	7.3
79.05499	27.8
80.05862	3.8
81.03422	11.0
81.07064	42.1
82.07407	4.7
83.04972	35.3
83.08614	6.7
91.05477	38.4
92.30080	3.9
93.07047	47.2
95.04957	13.6
95.08610	41.7
96.08971	5.0
97.06544	7.1
97.80136	3.6
105.07023	44.9
107.04957	11.5
107.08562	25.5
109.06517	26.6
109.10166	51.9
111.04471	24.0
111.08080	24.9
115.05473	5.2
117.06997	13.3
118.78012	3.5
119.08596	47.2
121.06493	13.5
121.10116	6.6
123.08076	10.3
123.11717	5.0
124.19625	3.9
125.05914	3.5
128.06158	7.5
129.07001	11.2
131.08568	28.8
133.06471	22.6
133.10143	25.0
135.08008	15.3
137.05966	10.5
139.07520	19.0
141.06975	4.7
142.07806	9.2
143.08543	22.5
144.09338	4.9
145.06500	5.1
145.10115	22.7
147.08029	16.6
147.11703	20.4
149.09618	9.9
151.07539	15.5
154.07739	5.9
155.08540	20.2
156.09331	12.3
157.10147	29.6
159.08041	10.4
159.11703	17.2
161.09639	18.4
165.06995	10.8
166.07710	5.3
167.08574	12.4
168.09349	5.4
169.10104	24.2
170.10825	7.4
171.08096	7.3
171.11711	29.0
173.09630	10.3
173.13245	5.1
175.07494	6.2
175.11206	7.0
177.09109	4.9
179.07117	4.5
179.08592	10.9
181.10107	19.1
182.10997	7.0
183.08037	4.1
183.11688	23.4
185.09634	11.6
185.13199	14.4
187.11197	8.5
192.09406	4.5
193.08611	38.2
193.10147	9.4
194.10820	4.4
195.08051	6.5
195.11667	22.3
196.12407	5.2
197.09605	11.0
197.13257	17.4
199.11185	9.8
199.14793	11.8
201.12738	8.5
202.07846	4.1
205.10051	8.5
205.12311	4.9
206.10849	7.7
207.11699	13.7
208.12411	4.2
209.09657	9.5
209.13283	15.3
211.11150	9.4
211.14812	9.1
213.09108	6.4
213.12718	10.8
219.11813	5.9
221.13300	13.6
223.11153	9.7
223.14824	10.0
224.11707	5.9
225.12793	7.6
225.16338	9.1
227.14447	7.8
233.13199	10.7
234.13922	6.4
235.11206	5.7
235.14734	10.4
237.12854	5.4
239.14246	13.8
239.17883	6.3
241.12129	4.5
244.12582	4.7
245.13193	7.4
245.15486	8.2
247.11130	5.9
247.14839	11.7
249.12651	5.9
249.16447	5.5
250.13416	4.5
251.14386	5.5
253.15764	4.5
257.15433	8.7
259.14810	9.7
261.16434	7.0
263.14413	4.4
263.18085	5.1
265.15863	5.5
275.14410	3.8
275.20145	6.5
277.15854	11.5
281.15375	7.2
295.16968	3.8
299.16391	6.6
303.17227	3.9
319.16962	6.2
319.20587	6.8
337.21637	8.7
387.23257	4.8
405.24203	12.7
415.22836	6.3
429.24295	6.6
431.25964	5.6
433.23773	11.7
439.22147	4.3
447.25726	4.5
457.23495	11.9
475.24780	21.3
493.25797	17.1
511.26526	13.0
529.27808	6.8
574.33795	100.0
575.34235	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.1
57.07064	2.2
65.54987	0.8
66.03616	0.7
67.05496	3.4
69.07053	1.7
70.49589	0.6
71.08618	0.9
79.05476	2.2
81.07047	2.5
83.08599	1.3
85.10179	1.2
87.04465	6.2
88.61245	0.8
91.05473	2.3
93.07037	2.7
95.08604	2.4
98.23359	2.2
101.21263	0.7
105.07021	1.6
107.08574	2.3
109.10133	1.8
111.12754	0.7
119.08559	1.3
121.06499	0.9
121.10165	1.3
135.11708	1.3
142.07726	1.2
143.08546	0.9
145.10135	2.1
149.13274	1.2
157.10101	1.8
201.16212	1.0
202.09848	1.6
209.09691	1.1
217.12207	1.0
219.08040	0.9
220.08818	0.7
221.09654	0.9
226.06226	0.7
234.10422	1.1
235.07639	1.0
235.11172	1.8
235.13303	1.2
237.09081	3.0
238.06474	0.8
239.06982	0.9
239.10660	0.9
247.07562	1.1
248.08278	1.6
249.09143	4.6
250.06084	1.2
251.06906	0.8
251.10681	2.4
252.11371	2.2
254.09219	1.0
255.10031	0.9
256.07315	1.0
262.09866	0.9
263.10608	3.8
265.08521	6.4
265.12088	0.8
266.09302	1.3
267.06476	1.1
267.10144	1.0
269.11765	0.8
271.09641	2.0
277.08554	4.2
279.10165	2.0
280.10861	6.5
281.11728	2.1
282.08823	1.2
283.09781	0.9
284.06848	2.0
285.07635	1.2
291.10135	3.8
292.10797	2.1
293.05066	0.8
293.08087	4.2
293.11398	1.5
294.08951	1.2
294.12280	1.7
295.13214	9.4
296.13727	1.3
297.11237	2.4
299.09097	3.0
306.12549	2.9
307.09720	1.4
308.10385	3.3
309.11200	5.0
312.13477	1.4
323.12756	8.5
324.13669	3.5
325.10645	2.9
325.14236	1.5
327.15872	1.7
340.13040	2.8
341.13858	2.2
355.15384	100.0
356.15958	11.8
380.76224	0.8
387.18002	9.7
457.15833	0.9
574.48877	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	0.7
57.07062	0.7
58.85248	0.5
59.52943	0.5
67.05490	1.7
69.07053	0.6
70.54493	0.6
71.08621	0.9
79.05476	1.8
81.07059	1.7
83.08592	0.6
85.10191	0.6
87.04487	2.4
91.05461	1.0
93.07065	1.1
95.08623	1.5
101.06037	0.6
105.07018	0.6
107.08644	0.7
109.10114	0.8
117.07042	0.5
119.08524	0.6
121.10114	0.8
124.44193	0.5
137.05849	0.4
145.10066	0.8
159.08083	0.7
165.14563	0.5
167.07053	0.7
170.17380	0.5
173.09671	0.5
175.07550	0.6
182.07362	0.5
187.07600	0.7
195.07988	1.0
196.05286	0.7
198.06705	0.5
199.07700	0.5
203.10489	0.9
209.09634	2.0
210.06720	0.9
211.07491	1.2
213.05499	0.9
219.08076	0.9
220.08884	1.4
221.09608	1.2
222.10487	0.7
223.07521	1.1
223.11099	1.0
225.05530	0.5
225.09116	1.8
226.06221	1.0
227.07056	1.6
228.07889	0.6
231.08095	0.6
233.09656	1.8
234.10306	0.7
235.07498	1.1
235.11179	3.0
235.13338	1.3
236.11749	0.8
237.05478	1.2
237.09079	2.5
237.12746	0.9
238.06146	0.9
238.09726	1.1
239.06979	2.8
239.10681	1.3
240.07831	0.7
241.04916	1.7
241.08588	1.0
241.12291	1.4
242.05669	1.1
243.06517	0.9
247.07666	1.3
248.08325	1.8
249.09154	4.2
249.12729	0.5
250.06264	0.6
250.09824	2.3
251.06868	1.0
251.10634	3.2
252.04182	0.8
252.07889	0.9
252.11365	1.6
253.05014	0.7
253.08568	2.3
253.12263	2.4
254.05618	0.6
254.09425	1.4
255.06480	1.5
255.10269	1.4
256.07318	2.6
257.08060	2.9
262.09778	0.9
263.07401	1.1
263.10672	5.3
264.11444	1.9
265.08633	5.4
265.12015	3.1
266.05679	3.1
266.09418	3.3
267.06537	6.0
267.10086	1.6
267.13739	0.9
268.07410	1.0
269.04419	1.9
269.08408	0.5
269.11798	1.6
270.05270	1.2
270.09015	0.7
271.06036	0.7
271.09616	2.0
277.08569	5.5
278.09451	1.2
279.06836	1.2
279.10175	5.4
280.07687	0.9
280.10904	4.5
281.08090	3.8
281.11734	9.9
282.08902	1.1
282.12241	0.7
283.06305	1.0
283.09399	1.2
284.06787	7.8
285.07559	14.6
286.07877	0.9
287.05554	0.7
287.08951	1.0
291.10123	5.1
292.10825	1.2
293.08136	3.1
293.11734	5.3
294.08868	2.3
294.12451	1.6
295.09689	2.0
295.13312	6.9
296.06821	0.7
296.13937	1.5
297.11276	5.4
297.14584	1.0
298.08453	0.9
298.11887	1.2
299.09143	9.0
300.09894	4.7
302.07858	1.3
305.12018	0.7
306.12543	0.6
307.09717	2.9
307.12918	0.7
308.10327	4.7
309.11182	14.4
310.08484	0.6
310.11859	2.8
311.09100	1.7
311.12534	1.0
312.13474	3.0
313.10727	1.4
313.14310	1.9
314.11450	8.8
317.10132	1.8
318.11017	0.6
322.11960	4.1
323.12762	9.8
324.13583	3.7
325.10706	4.8
325.14349	5.1
326.11462	2.2
327.12314	0.7
327.15982	3.4
331.11887	1.1
337.14313	0.7
340.13058	11.2
341.13821	26.5
342.14154	1.5
345.13391	1.2
355.15408	57.2
356.16159	80.2
357.16602	5.7
359.18604	3.2
372.15747	1.1
387.18002	100.0
388.18405	7.3
405.43655	0.6
412.23001	0.6
472.01566	0.6
528.98157	0.6
573.48846	1.0
574.29480	3.6
574.48822	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.3
57.07080	6.5
58.40817	0.8
67.05494	5.6
69.07046	2.5
69.26128	2.0
69.26532	4.6
71.08627	2.7
74.00016	1.0
79.05490	4.0
81.07049	6.7
83.08597	1.6
85.10191	1.9
87.04476	7.8
91.05489	2.3
93.07023	4.6
95.08585	4.9
99.04441	1.1
105.07074	1.2
107.08600	2.1
109.10165	2.0
119.08556	1.1
121.10155	1.7
135.11693	1.5
140.00661	1.0
145.10089	1.3
159.11739	1.0
202.09650	0.9
209.09673	2.0
210.06767	2.0
219.08012	1.4
220.08900	2.1
221.09538	1.5
222.10513	1.0
223.07492	1.3
225.09137	3.0
226.06299	1.3
227.06932	1.2
233.09677	1.4
235.07524	1.6
235.11205	3.1
237.09097	7.6
238.06169	1.6
238.09795	2.0
239.10622	1.8
241.05046	2.1
243.06549	1.6
243.09909	1.0
248.08340	3.1
249.09129	3.5
250.09744	1.6
251.07004	1.3
251.10667	4.0
252.11400	5.2
253.08636	4.1
253.12286	1.6
254.09557	1.9
255.06485	3.2
255.10263	2.3
256.07306	3.6
257.08051	1.2
261.09241	1.2
262.09726	1.6
263.10663	8.2
264.11395	3.0
265.08585	10.6
265.12213	4.2
266.09283	2.4
267.06836	2.2
267.10178	2.8
267.13818	2.1
269.11679	4.8
270.08923	1.5
271.09613	3.2
275.09189	1.4
277.08572	2.3
277.12537	1.1
278.09283	1.8
279.10208	3.5
280.10944	9.5
281.08157	3.7
281.11710	11.2
282.08905	1.7
282.12012	1.6
283.09555	1.3
284.06693	1.8
284.10400	1.0
285.07562	12.8
291.10141	5.8
292.10913	3.1
293.08139	4.3
293.11707	5.7
294.08798	4.0
294.12344	2.6
295.09747	2.7
295.13205	19.9
296.13892	4.1
297.08099	1.6
297.11115	6.7
298.08328	2.5
298.11581	1.2
299.09134	5.6
300.09869	6.1
304.09445	1.2
305.11859	1.7
307.09708	2.1
307.13208	1.5
308.10492	6.5
309.11188	15.2
309.14841	3.9
310.11771	3.3
311.09125	1.4
312.13474	9.1
313.10699	2.0
313.14151	2.1
314.11554	8.7
317.10107	2.0
322.11905	1.3
323.12769	15.6
324.13522	12.3
325.10770	3.8
325.14304	6.9
326.11285	2.3
327.15897	10.8
328.16241	1.5
337.14313	5.2
340.13165	4.7
341.13843	22.7
355.15405	100.0
356.16144	77.3
356.20657	1.9
357.16681	6.7
359.18448	8.4
372.15457	1.5
385.20044	1.1
387.18008	81.2
388.18259	6.6
573.49146	2.2
574.49066	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22947	4.2
53.03946	5.7
55.01867	15.2
55.05510	20.2
55.52366	4.5
57.03418	7.3
57.07061	6.3
58.85288	5.6
60.05647	6.4
63.15470	5.5
67.05505	38.9
69.03429	18.4
69.07063	12.8
69.53671	27.9
71.04963	6.0
72.56265	4.5
73.02919	5.4
79.05477	30.1
81.03420	25.7
81.07054	34.7
83.04982	39.0
83.08626	6.5
85.02895	9.4
91.05488	52.1
93.07052	61.7
95.04980	12.7
95.08611	53.1
95.59614	5.6
97.02906	4.5
98.25682	4.6
99.04503	5.8
105.07029	48.8
107.05016	6.0
107.08595	22.0
109.02897	12.3
109.06528	15.7
109.10149	7.3
111.04440	34.4
111.08089	15.3
115.05478	8.2
117.07011	20.6
119.08570	66.7
119.60368	4.8
121.06513	17.2
121.10184	9.7
123.08083	23.8
125.09629	4.9
127.04006	5.7
128.06232	11.2
129.07057	22.6
131.08572	27.4
133.06485	11.0
133.10133	44.2
135.08066	18.3
135.11655	9.6
139.07547	17.9
141.06979	12.4
142.07764	14.2
143.08583	21.7
145.06502	9.5
145.10130	42.4
147.08055	19.8
147.11697	25.9
149.05943	7.0
149.09581	10.7
154.07726	6.0
155.08578	18.4
156.09331	8.0
157.06514	11.5
157.10167	26.5
157.42361	5.3
159.08069	19.3
159.11710	15.5
161.09615	22.0
163.07539	6.5
163.11189	7.0
165.07083	10.2
167.08574	6.2
169.06514	6.8
169.10155	22.8
171.08061	21.4
171.11717	15.3
173.09592	30.4
173.13187	6.9
175.07561	25.0
175.11172	15.4
179.08521	5.7
180.09387	5.0
181.10107	13.4
183.08115	7.9
183.11743	14.5
185.09615	24.1
185.13263	8.2
187.07544	13.6
187.11176	20.0
189.09123	14.1
191.10800	7.7
192.09329	6.2
193.10165	18.8
194.10910	6.1
195.08034	13.8
195.11737	16.7
197.09660	13.3
197.13284	8.7
197.61784	4.8
199.07474	4.6
199.11148	13.7
199.14954	4.5
201.09149	8.9
201.12744	9.7
203.08649	4.9
203.10583	5.9
205.10123	6.7
206.10909	7.2
207.11699	18.1
208.12361	6.9
209.09630	8.4
209.13300	12.4
211.07564	8.4
211.11220	32.0
211.14720	6.1
213.09174	16.8
213.12686	10.4
217.10274	6.2
219.11736	11.8
219.13747	5.4
221.13409	15.5
223.11230	15.4
223.14839	7.0
224.11934	9.6
225.12691	13.5
227.10655	10.9
227.14243	11.8
229.12315	6.0
230.10847	8.7
231.09995	24.7
235.11185	14.1
235.14841	6.4
237.12744	15.5
237.16470	5.3
239.10834	6.5
239.14308	20.0
241.12283	10.3
245.15460	9.7
246.14120	6.4
247.11166	7.2
247.14862	13.8
249.12840	7.1
251.10640	6.7
251.14232	8.6
253.12227	13.6
254.12610	5.3
257.15381	11.8
257.18988	5.4
261.12762	12.1
261.16327	11.6
263.10666	9.5
263.14279	10.7
265.12369	9.3
265.15808	8.9
267.13959	7.5
275.14258	8.0
275.20090	69.7
277.15787	8.3
279.17334	6.5
281.11761	11.1
287.14621	7.7
289.12228	5.5
289.15854	8.9
291.13806	10.6
293.21136	15.4
295.86868	5.1
301.15955	7.1
303.13776	5.8
303.17297	5.4
307.13455	5.0
307.16901	16.8
314.95435	5.9
315.17572	12.6
317.15286	6.9
319.16965	8.4
325.17981	17.6
333.18408	6.8
335.16608	8.4
337.17868	11.7
347.20068	9.9
349.23755	17.2
355.19153	11.7
361.18256	5.8
397.21906	9.6
411.23038	16.9
415.22876	6.4
421.21906	6.4
429.24417	45.7
439.22595	38.0
447.25363	22.5
457.23666	70.3
458.24081	10.7
475.24835	100.0
476.25009	10.6
493.26001	26.0
574.23218	7.0
574.31970	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.4
57.07079	1.3
67.05501	0.8
69.07065	0.4
69.46935	1.7
71.08614	0.3
71.40540	0.3
79.05477	0.8
81.07047	1.2
83.08632	0.4
85.02918	0.4
87.04465	3.1
91.05484	0.7
93.07053	0.5
95.08607	0.8
97.91565	0.3
105.07037	0.7
107.08581	0.5
109.10133	0.5
119.08586	0.6
121.10153	0.4
145.10106	0.4
159.08101	0.4
167.07095	0.3
173.09593	0.7
182.07199	0.3
192.09320	0.6
193.10110	0.3
195.08102	0.4
196.05106	0.4
197.09708	0.3
201.09123	1.8
202.07954	0.4
202.09906	1.8
203.08591	0.4
205.06372	0.4
207.08051	0.5
207.11661	0.4
209.06120	0.3
209.09612	0.8
210.06642	1.3
211.07568	1.2
211.11012	0.3
212.08282	0.5
213.05386	0.5
219.08078	0.7
220.08908	1.3
221.09598	0.9
223.07582	0.6
223.11195	0.5
224.08339	0.7
225.05391	0.4
225.09081	1.1
226.09933	0.5
227.06946	0.5
228.07747	0.4
229.04990	0.3
233.06021	0.4
233.09575	0.8
234.06723	0.9
234.10373	0.4
235.07555	0.9
235.11101	3.0
237.09042	3.3
237.12793	0.4
238.06192	0.6
238.09871	1.0
239.07025	1.0
239.10678	0.8
240.07764	1.0
241.04909	0.8
241.08478	0.5
242.05696	0.3
243.06596	0.4
247.07576	1.0
248.08304	2.8
249.09050	4.7
249.12936	0.3
250.06273	0.4
250.09846	0.5
251.06958	1.1
251.10709	1.9
252.07841	0.6
252.11485	2.1
253.08574	1.2
253.12195	0.8
254.09332	1.2
255.06541	0.6
255.10161	0.4
256.07300	1.8
257.08057	0.6
261.09082	1.3
261.22235	0.3
262.09903	0.9
263.07285	0.6
263.10681	6.2
264.07849	0.6
264.11417	2.8
265.08600	9.5
265.12076	1.2
266.06531	0.3
266.09366	1.7
266.12860	0.4
267.06519	0.9
267.10110	0.8
267.13828	0.9
269.04474	0.4
269.08109	0.3
269.11737	0.6
270.09039	0.4
271.09631	1.6
276.07806	0.6
277.08600	8.6
277.11847	0.6
278.09344	1.6
279.06903	0.6
279.10159	2.8
280.10925	9.1
281.08310	0.7
281.11642	2.8
282.08826	1.2
282.11957	0.3
283.06015	0.4
283.09402	0.4
284.06876	1.3
285.07474	0.9
285.11154	0.6
287.09064	0.5
291.10187	1.7
292.07721	0.5
292.10873	2.0
293.08102	3.0
293.11707	1.9
294.08774	1.8
294.12439	1.5
295.09845	1.0
295.13248	10.3
296.10471	0.4
296.13950	1.0
297.11292	2.2
299.09229	2.2
300.09943	0.6
303.08743	0.4
307.09689	0.9
308.10425	2.3
309.11185	9.5
310.08487	0.5
310.11807	1.0
311.09235	0.6
312.13602	0.9
313.10773	0.7
317.10052	0.5
318.11060	0.8
322.11966	0.6
323.12769	8.9
324.13528	8.9
325.10703	3.3
325.14310	1.5
326.11349	0.6
327.15921	1.1
331.11746	1.0
340.13052	4.0
341.13824	1.0
345.13251	0.5
355.15390	100.0
356.15945	12.5
357.16724	0.3
387.18027	11.2
388.18161	0.6
471.82285	0.3
573.47888	0.7
574.30103	0.5
574.39459	0.5
574.48730	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	6.0
60.05650	36.2
60.08156	2.7
67.05509	15.2
68.91174	2.6
69.07066	7.4
70.55589	2.5
72.33698	2.3
79.05494	8.0
81.07071	14.5
83.04986	4.6
83.08601	5.6
91.05484	12.1
92.33772	2.6
93.07048	16.1
95.04926	5.1
95.08605	18.0
96.21607	2.8
97.06539	5.0
105.07031	11.7
107.08560	7.2
108.25443	2.8
109.06540	3.6
109.10172	11.1
109.53885	2.7
117.07035	3.1
119.08597	11.1
121.06503	6.2
121.10133	7.0
123.08090	5.9
128.06200	2.8
129.07028	4.2
131.08554	8.2
133.10136	8.6
135.07997	4.7
135.11697	4.5
137.86223	2.9
143.08536	9.8
145.10110	9.5
147.08005	3.4
147.11685	4.7
155.08539	5.6
156.09395	3.3
157.10150	7.9
159.11710	10.2
161.09633	9.7
161.68526	2.6
163.07516	2.8
167.08557	4.8
169.10149	9.3
170.10945	4.7
171.07970	3.5
171.11635	7.7
179.08559	3.7
180.09348	3.5
181.10109	5.2
183.11731	7.6
185.13246	3.5
187.11111	3.6
189.12796	3.7
193.10132	6.3
194.10881	5.1
195.11714	7.5
197.13210	4.6
199.11272	4.1
207.11676	6.7
208.12440	3.3
209.13249	8.8
211.11153	3.3
211.14865	4.3
219.11655	4.3
223.11148	4.0
223.14850	8.5
225.16351	4.7
229.12260	2.7
234.14156	3.1
235.11151	4.4
235.14700	4.4
237.12758	5.4
239.14333	4.6
245.13190	3.2
249.16560	3.6
251.14442	6.0
255.13853	6.6
265.15930	4.4
267.13605	3.3
267.17395	3.2
269.15326	5.6
275.20029	3.4
277.15787	8.7
295.16956	12.3
297.18652	3.2
298.37003	2.9
304.01385	3.0
313.14282	2.6
313.17944	4.3
321.18613	7.1
329.25562	2.7
339.19482	4.6
377.21045	4.8
378.04205	2.7
389.25101	13.6
391.22330	15.3
395.22034	6.7
399.23093	10.2
407.25812	11.6
409.23615	15.9
417.24249	55.3
418.24664	4.9
435.25330	100.0
436.25613	9.3
453.26416	95.1
454.26547	7.5
529.27356	4.0
574.33380	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	16.2
57.07074	51.7
58.70299	4.6
62.52359	4.5
65.03929	6.1
67.05504	57.1
69.01189	12.5
69.01603	35.7
69.07058	18.1
71.04991	15.3
71.08624	24.1
79.05497	24.3
81.07056	100.0
83.08610	15.5
84.40154	4.6
85.06561	5.2
85.10194	10.0
87.04473	41.6
91.05481	20.4
93.07038	28.7
95.08601	44.0
98.22600	14.8
105.07048	14.9
107.08589	14.0
109.10097	12.2
117.06950	6.1
123.11705	13.0
131.08563	5.0
133.10104	13.8
135.11627	4.9
149.13272	7.3
152.81499	5.2
159.11732	5.0
251.84360	4.7
259.77237	4.5
301.20087	10.0
313.27432	14.5
481.38998	55.4
508.81363	6.0
539.42896	17.7
574.48877	16.0
575.49622	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1181
Annotation	Vitisinol
Peak:m/z	Relative Intensity
51.02380	0.8
55.01873	1.6
62.69415	0.5
65.03968	0.6
67.05511	0.9
68.99778	3.0
69.11026	1.4
69.11422	4.2
82.08133	0.5
82.71350	0.5
91.05473	0.7
95.04961	0.6
97.02872	0.8
98.23300	1.0
100.11237	1.5
103.22042	0.5
105.03381	0.6
107.04913	0.6
111.00809	1.3
119.04937	1.3
121.02888	0.8
123.04437	41.2
124.04789	0.8
125.02328	1.1
127.03928	1.7
137.02342	8.9
137.05991	3.7
138.06299	1.1
139.03932	2.4
139.05496	0.7
141.01831	0.7
147.04427	6.7
149.02336	1.3
151.03909	1.8
153.01799	3.2
155.04860	0.6
161.06003	1.1
163.03943	1.4
165.05467	2.9
167.04948	1.1
169.06456	0.7
173.05986	2.0
175.03952	2.0
177.01848	0.9
181.05038	1.1
181.06538	1.4
185.05981	1.7
187.03883	1.9
189.05513	1.3
191.03409	0.9
197.06026	2.2
199.07629	1.0
201.05467	2.9
203.03426	1.1
209.06027	2.1
211.03918	0.9
213.05423	4.0
215.03542	2.7
215.07037	0.9
217.04967	2.3
223.04128	0.7
225.05510	1.9
227.03452	0.6
227.07016	1.4
229.04936	6.4
237.05461	14.3
239.03345	1.6
239.07111	1.2
241.04976	4.5
242.05618	0.7
243.02917	2.6
243.06488	0.9
245.04480	1.2
249.05455	0.6
251.07069	1.4
253.05055	4.4
255.06482	3.8
257.04462	15.6
258.05237	28.5
259.05704	1.9
261.05444	0.9
263.07224	0.7
265.04962	24.4
266.05441	1.7
267.02908	1.3
267.06601	1.3
269.04471	4.5
270.05240	2.2
271.06030	7.8
272.06470	0.7
273.03894	1.1
275.07144	0.8
277.05045	0.8
279.06583	1.5
281.04572	2.9
282.05203	1.9
283.06009	42.3
284.06317	1.3
285.04004	12.5
285.07446	2.2
287.05359	0.7
289.04868	0.7
293.04373	1.4
295.06082	1.7
297.03955	15.2
297.07248	1.0
298.04620	1.6
299.05444	11.3
300.06046	0.7
303.06500	1.6
305.04428	1.1
306.05426	0.6
307.06058	4.0
309.03851	2.1
309.07333	1.0
310.04709	0.7
311.05450	10.2
312.06128	1.0
313.03372	1.4
321.07669	1.2
323.05588	3.5
325.03586	1.0
325.07150	3.2
327.05048	2.4
331.05978	1.9
335.05441	3.2
339.05026	0.9
349.07104	1.9
351.05042	0.7
353.06558	9.6
355.04572	0.9
359.05292	0.9
367.08179	1.1
375.49829	0.6
377.06671	2.1
381.06131	0.7
395.07626	100.0
396.07956	6.8
405.06097	1.7
407.07666	6.2
419.07352	1.1
423.07111	40.0
424.07324	2.4
431.07742	1.1
435.07135	10.8
436.07535	1.0
437.08673	2.9
445.09317	0.6
447.06982	0.7
449.08710	2.3
465.08408	2.7
529.11310	3.1
535.24829	0.6
547.12079	0.8
557.10730	3.9
566.43146	0.7
575.11707	5.9
575.41882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.158
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31225	0.4
56.64298	0.3
70.84885	0.7
70.85198	0.5
77.33487	0.4
86.76494	0.4
123.04422	1.1
139.03955	0.4
149.02083	2.6
155.03125	0.7
173.04268	1.1
185.04329	0.7
228.65276	0.4
229.07031	0.6
241.06470	0.4
253.57263	0.4
257.04434	2.3
305.08456	1.9
311.07462	1.0
317.08444	13.2
318.08658	1.0
326.85162	0.4
361.10938	2.8
443.11560	10.4
444.12296	0.7
449.12643	10.2
450.13324	0.7
539.10339	0.4
557.10565	1.1
575.15784	100.0
576.15991	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94246	2.4
67.05508	3.4
69.03156	24.1
81.07073	3.0
98.23404	4.1
99.32204	2.4
105.07078	2.7
109.91799	2.3
118.86607	2.5
125.51690	2.3
173.11409	2.2
185.23848	2.5
206.74165	2.5
222.79166	2.8
239.10641	2.8
240.07816	2.9
253.08569	4.8
257.08026	2.9
257.73587	3.1
267.10156	6.0
268.07281	2.6
269.08310	4.0
279.10590	3.6
280.07208	3.0
281.08087	2.6
282.08890	2.8
283.06647	3.0
283.09665	5.0
285.07681	3.0
293.07916	3.1
295.09805	9.0
297.07742	5.4
297.11017	4.6
299.09271	8.8
300.10028	5.7
301.10587	3.0
309.10898	3.6
310.12073	9.4
311.09314	6.6
312.10001	7.0
313.10818	6.6
325.10818	10.1
326.11533	12.1
327.08685	6.0
329.10217	3.7
340.13022	22.2
341.10138	8.8
341.13837	13.2
342.10898	15.0
343.11658	4.6
351.12381	6.8
356.12442	15.7
358.10510	5.3
366.14716	7.5
371.14932	19.8
373.12976	9.4
383.15036	4.7
384.15796	5.5
397.16214	2.9
415.17542	40.7
453.12988	17.1
575.16803	100.0
575.25818	5.7
575.50500	3.8
576.17188	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	11.2
55.43542	6.1
57.07074	21.8
67.05523	30.0
69.07078	10.3
71.08637	17.1
79.05495	16.8
81.07056	40.8
81.36126	6.3
91.05473	14.0
93.07042	19.0
95.08599	34.7
95.76874	6.8
101.65633	6.3
107.08588	12.0
109.10145	15.2
119.08586	7.5
135.11794	7.2
147.11653	7.8
182.92743	7.2
203.62659	6.3
263.23709	6.3
295.09683	11.5
297.11310	6.9
299.09509	10.7
310.11801	8.2
312.09766	8.2
325.10794	15.0
327.08661	8.9
340.13135	32.2
342.10986	19.6
356.12448	7.7
371.14978	44.8
373.12991	11.7
382.75684	7.5
385.16479	9.4
415.17450	44.3
453.13199	10.0
496.88049	7.1
555.84064	6.9
574.48834	11.9
575.16718	100.0
575.50470	32.4
576.17236	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17669	0.3
67.98356	0.4
71.30544	0.3
71.30905	0.3
82.47778	0.3
85.13584	0.3
119.04907	0.5
123.04430	2.8
135.01564	0.3
137.02339	0.6
137.05928	0.5
144.45042	0.3
147.04413	0.5
173.05858	0.3
185.04231	1.1
201.05402	0.3
211.07672	0.3
229.05017	0.5
237.05450	0.7
253.04950	0.4
257.04343	0.5
258.05115	0.9
265.05008	1.3
283.06027	1.5
285.03979	0.6
297.03931	0.7
299.05392	0.6
307.05951	0.3
386.06598	0.3
395.07697	3.7
407.07880	0.4
412.16208	0.3
413.11969	4.0
413.16510	0.3
423.07028	1.7
427.12079	1.7
435.07117	0.5
529.11139	0.4
575.17255	100.0
576.17578	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2106
Annotation	12beta-Acetoxyharrisonin
Peak:m/z	Relative Intensity
55.05516	1.3
57.07082	0.8
63.18542	0.5
66.65262	0.5
67.05502	4.0
69.03423	2.9
69.07087	0.8
69.08732	4.0
71.04984	0.9
79.05489	5.3
81.07059	19.0
83.01106	1.1
83.04985	1.4
83.08646	0.6
85.02898	1.2
91.05467	5.7
93.07049	4.6
95.01101	2.6
95.04982	3.9
95.08611	11.3
96.01900	1.4
96.08263	0.5
97.02903	3.5
97.06535	2.0
99.04434	2.9
100.90435	0.6
103.05476	1.3
105.03370	0.6
105.07036	6.7
107.04947	1.0
107.08584	4.0
109.06516	10.7
111.04434	1.2
111.08075	1.8
112.01340	0.7
113.02135	3.1
115.05451	0.9
117.07025	3.4
119.04944	1.4
119.08560	3.8
121.06506	3.2
121.10157	1.2
122.07269	0.6
123.04440	2.6
123.08061	9.4
125.06113	0.6
125.09639	0.6
128.06261	2.1
129.06978	4.3
130.07831	0.8
131.04906	4.0
131.08556	3.7
133.06467	3.8
133.10158	1.6
135.08076	2.2
137.05978	21.2
137.09624	0.7
138.06308	0.6
139.07480	0.8
141.05247	0.7
141.07011	2.2
142.07829	1.2
143.04987	0.6
143.08548	3.9
145.06479	11.2
145.10095	3.3
147.04417	1.4
147.08063	5.3
149.05989	3.1
149.09615	1.0
151.07529	5.0
153.07019	1.3
154.07713	0.7
155.08524	5.4
156.09416	0.7
157.06503	1.9
157.10110	3.4
158.07336	2.1
159.08049	6.5
160.08824	0.6
161.06000	2.7
161.09644	2.0
163.07504	1.5
165.07010	2.1
165.09132	0.9
166.07860	0.9
167.07053	1.5
167.08592	2.8
168.22266	0.6
169.06476	1.3
169.10147	2.5
170.07341	1.0
171.08028	5.2
171.11800	0.8
172.08807	0.6
173.06024	1.4
173.09630	4.1
175.03963	0.6
175.07558	3.2
175.11238	0.7
176.04529	0.9
177.05563	1.1
177.09131	1.4
178.07796	1.5
179.08549	3.1
180.09322	1.2
181.06488	1.7
181.10075	3.8
182.07321	1.4
183.08049	5.7
183.11685	1.4
184.08789	2.0
185.04247	6.9
185.05904	2.6
185.09586	3.2
187.07457	3.0
187.11234	1.0
188.08199	0.7
189.09106	1.3
191.07051	0.7
191.08577	2.1
191.10550	0.7
192.09322	2.9
193.08574	1.5
193.10175	4.3
194.07379	1.0
194.10872	1.4
195.06508	1.1
195.08102	3.3
195.11705	2.7
196.08717	0.9
197.05977	0.8
197.09625	4.1
198.06773	0.6
198.10333	1.0
199.07558	2.1
199.11293	2.0
200.08241	0.6
201.03630	1.2
201.05280	3.0
201.09125	2.3
201.52686	0.6
202.07845	2.1
203.05307	1.9
203.08594	2.0
204.09358	1.6
205.06538	0.7
205.10231	3.7
206.07237	0.8
206.10930	1.4
207.08087	1.7
207.11679	4.3
208.08803	0.8
208.12540	0.8
209.09683	3.7
209.13173	1.2
210.10379	1.4
211.07602	1.4
211.11226	3.3
213.09169	2.5
215.06848	0.8
215.08707	0.8
216.07562	13.3
216.09392	0.9
217.08430	1.0
217.10182	3.9
218.07362	0.5
218.10918	2.6
219.08113	1.6
219.11726	2.7
220.08813	3.2
221.09634	4.9
221.13277	1.4
222.10316	1.4
223.11234	3.6
223.14813	0.8
224.11874	0.8
225.09154	1.8
225.12747	2.5
227.10605	1.3
229.10286	0.8
230.10818	1.0
231.08189	1.0
231.11729	2.0
232.08781	1.1
232.12402	1.5
233.09668	3.1
233.13370	2.3
234.10423	1.4
235.07700	0.8
235.11177	10.3
236.11919	2.9
237.09128	2.4
237.12735	4.6
239.10645	3.6
239.14360	0.8
241.12399	0.6
242.10966	1.1
243.09984	1.2
244.12305	0.6
245.09645	3.8
245.13426	1.0
246.10426	2.4
247.11250	3.3
247.15010	2.7
248.08356	1.1
248.11874	1.3
249.09090	1.5
249.12775	4.6
250.13542	1.2
251.10713	2.6
251.14333	3.5
252.11343	0.6
253.12215	4.7
254.12994	0.8
257.13226	1.6
258.14130	0.8
259.11191	2.5
260.12048	2.1
261.09607	0.6
261.12802	4.5
263.10736	7.8
263.14294	2.3
264.11371	1.6
265.12277	2.2
265.15924	2.2
267.10242	1.4
267.13849	2.1
270.10098	0.7
273.13000	1.1
274.13483	0.8
275.11282	1.2
275.14276	7.4
276.14813	1.1
277.12323	3.2
277.15948	1.9
278.13007	1.1
279.13840	3.8
281.11755	5.5
282.12457	0.8
283.13364	1.7
285.12589	2.1
287.10510	0.8
287.14117	0.7
289.12305	1.4
289.15643	0.7
291.10657	0.7
291.13818	2.1
291.17267	0.8
292.67996	0.6
293.15390	5.8
295.13525	2.8
295.16620	0.7
299.12729	7.7
303.13773	4.3
305.11810	1.7
305.15280	0.7
307.13272	1.2
309.07574	0.9
309.14975	0.9
311.16498	2.3
313.16104	0.7
317.15326	1.8
319.13321	1.7
319.16824	1.0
321.05890	0.8
321.14859	4.9
322.15433	0.7
323.12885	0.9
325.14417	0.8
331.13174	0.8
335.12881	0.6
335.16495	1.4
337.18088	0.7
339.15982	2.7
345.14658	0.8
351.15933	0.8
353.17496	0.9
355.69864	0.6
359.16479	0.7
363.15659	1.3
365.12650	0.8
373.17993	2.2
375.15747	1.0
377.17532	0.9
381.11737	1.6
381.17017	1.7
383.16193	1.3
391.14178	1.0
391.18964	5.2
392.19507	0.7
393.16946	1.6
401.17419	9.1
402.17676	1.3
405.19211	0.9
409.20230	4.1
415.19098	1.4
417.20914	3.3
419.18521	25.2
419.24164	1.3
420.18784	2.9
423.20544	0.8
433.20258	2.1
435.22546	2.9
437.19595	65.1
438.19818	6.0
443.18573	3.0
453.22910	1.2
455.20663	7.8
461.19604	8.6
467.11624	1.2
479.20694	16.3
480.21204	1.7
483.16159	0.6
497.21741	13.1
498.22345	1.1
515.22803	4.5
541.21002	0.7
557.23895	3.2
575.20935	100.0
576.21228	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01870	2.0
57.07063	0.8
65.03960	0.9
67.05505	6.1
69.03436	3.8
69.04280	4.2
69.04707	2.9
69.07081	1.2
71.04959	1.1
79.05486	6.9
81.03391	1.3
81.07053	21.9
83.04958	2.6
91.05476	7.8
93.07043	6.5
95.04961	6.1
95.08607	15.5
97.02894	8.1
97.06521	4.3
99.04442	3.2
103.05494	0.9
105.07014	9.0
107.04943	2.8
107.08577	5.5
109.02812	1.0
109.06512	18.4
109.10200	1.1
111.04446	2.0
111.08060	1.4
115.05467	3.0
116.06165	0.8
117.06987	4.1
119.04920	1.1
119.08585	5.1
121.06512	5.1
121.10146	1.9
123.04446	1.1
123.08067	15.6
125.05919	0.9
125.09617	1.0
127.03859	1.0
128.06248	2.8
129.07013	5.0
131.04927	3.0
131.08569	4.9
133.02878	1.4
133.06491	6.2
133.10103	2.4
135.04431	0.9
135.08047	3.5
137.05966	23.2
137.09576	1.5
139.07510	1.6
141.06989	4.5
142.07758	1.3
143.04933	1.5
143.08560	8.2
144.05629	1.3
145.06485	17.8
145.10097	4.0
147.04362	1.8
147.08041	9.0
147.11682	1.2
149.05994	5.3
149.09587	1.4
151.03845	0.9
151.07539	5.8
152.06201	1.1
153.07048	1.7
153.09113	1.1
154.07794	1.3
155.08553	9.7
157.06477	3.2
157.10152	5.1
158.07306	2.4
159.08047	10.4
159.11629	1.4
161.05965	4.0
161.09634	2.4
163.07529	3.6
165.07037	4.7
165.09085	2.1
166.07751	1.8
166.13359	0.8
167.07022	2.4
167.08569	4.7
168.09344	1.3
169.06433	2.3
169.10123	3.3
170.07280	1.0
171.08044	11.0
171.11661	1.2
172.08809	1.1
173.05949	2.9
173.09627	5.9
175.07549	3.9
175.11215	1.0
177.09108	2.0
178.07796	3.4
179.08536	6.2
180.09337	1.8
181.06432	2.0
181.10098	5.5
182.07268	2.2
182.10748	0.9
183.08061	9.7
183.11635	2.7
184.08885	3.7
185.05919	1.8
185.09610	6.6
187.07578	4.1
187.11227	1.4
189.09109	2.4
190.07785	0.8
191.07001	1.1
191.08575	2.4
191.10739	1.1
192.09291	3.0
193.06528	0.8
193.08606	1.9
193.10135	9.8
194.07106	0.8
194.10786	1.3
195.06454	1.2
195.08070	5.4
195.11693	3.3
196.08813	2.5
197.06017	0.8
197.09590	7.1
199.07538	2.7
199.11116	2.1
201.09113	4.5
202.07834	2.8
203.05226	2.8
203.08481	3.4
203.10384	0.9
204.09364	1.8
205.06697	0.9
205.10124	3.8
206.10889	2.4
207.08041	3.4
207.11679	6.5
208.08780	2.5
209.09663	6.6
209.13274	2.2
210.10330	2.0
211.07458	2.1
211.11165	3.6
213.09145	3.0
213.12764	1.1
215.08679	1.5
215.10667	2.1
216.09369	1.7
217.08499	0.8
217.10144	6.9
218.10823	2.8
219.08018	2.7
219.11742	5.2
220.08853	2.8
220.12227	0.8
221.09601	7.5
221.13232	3.1
222.10362	2.1
222.13953	1.0
223.07635	1.6
223.11165	6.8
223.14720	1.7
225.05359	0.9
225.09097	2.8
225.12708	3.5
227.10753	1.9
228.09254	1.0
229.10233	1.3
230.10907	1.6
231.08165	1.4
231.11719	3.6
232.08762	2.3
232.12480	1.1
233.09669	5.0
233.13313	5.2
234.10361	3.2
235.11234	13.0
235.14754	1.9
236.11894	2.9
237.09103	2.9
237.12714	5.7
237.16351	1.5
238.09740	1.7
239.10747	4.2
239.14246	1.7
241.08603	1.2
242.10922	1.7
243.09929	1.7
243.11949	1.7
244.12466	1.2
245.09624	5.6
245.13379	1.6
246.10475	5.6
246.13028	0.7
246.13481	0.7
247.11194	5.6
247.14897	2.5
248.08249	1.1
248.11868	1.8
249.09039	2.2
249.12720	5.5
249.16299	0.9
251.10623	4.7
251.14423	4.6
253.12254	7.9
254.12909	1.1
257.13412	1.4
258.10522	1.4
259.11343	5.5
260.11932	3.5
261.12823	7.4
262.09988	1.0
262.13367	1.7
263.10654	11.3
263.14322	2.9
264.11365	2.9
265.12357	3.8
265.15875	3.8
267.10175	1.8
267.13806	2.9
269.11768	1.2
270.10416	1.0
271.10873	1.0
271.13461	1.0
273.12671	3.1
274.13449	1.3
275.11194	1.1
275.14313	7.9
277.12201	4.7
277.15546	1.5
278.13208	0.9
278.16513	0.9
279.13885	5.7
281.11639	8.9
283.13354	2.8
285.12561	2.5
287.14465	1.1
289.12378	1.8
291.13724	1.7
291.17099	0.9
293.15253	6.2
294.16107	1.1
295.13232	4.2
295.16641	0.8
297.11508	1.1
297.15033	1.1
299.12695	11.3
303.13821	7.0
303.17145	1.3
304.14252	1.7
305.11700	2.3
306.12280	1.3
307.13348	3.0
307.16736	1.2
309.11108	1.4
311.16443	2.5
317.15106	1.9
319.13284	1.4
321.14819	8.2
323.12946	2.1
333.14865	1.4
335.16479	3.0
337.14209	2.1
337.17853	1.4
339.15851	3.9
345.14767	1.3
349.14307	1.1
349.18161	0.9
353.17679	1.4
355.16153	1.4
357.14865	1.1
359.16443	1.1
363.15872	3.9
363.19662	1.1
365.13531	1.4
373.18198	4.5
375.15750	2.2
377.17645	1.4
381.16953	3.4
383.16348	1.2
389.17108	1.2
391.18997	10.2
393.21033	0.9
395.18558	1.0
399.18774	1.0
401.17441	11.5
402.17670	1.5
407.18463	1.2
409.20050	6.7
415.18954	2.0
417.20706	7.3
419.18512	38.2
420.18710	3.1
421.16162	0.9
433.19836	3.7
435.22250	4.6
437.19589	100.0
438.19846	9.9
443.18478	4.3
451.20932	1.0
453.22760	3.7
455.20575	9.5
456.20868	1.3
461.19641	13.5
469.22049	1.3
479.20636	28.9
480.21045	3.0
490.81351	0.9
495.76807	0.9
497.21732	35.8
498.22186	2.7
503.20779	1.0
515.22791	5.9
521.22260	1.1
550.68176	1.0
557.23553	5.3
575.20764	15.7
576.21136	1.7
582.08716	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01872	1.5
55.05509	3.0
56.92141	0.9
67.05513	6.6
69.03426	6.0
69.07071	2.3
69.31009	2.1
69.31408	6.7
79.05514	6.4
81.03457	1.1
81.07059	30.7
83.01100	1.6
83.04964	2.7
91.05479	8.2
93.07039	5.7
95.01089	2.8
95.04967	6.1
95.08609	19.4
97.02898	5.8
97.06527	4.0
98.23357	1.6
99.04458	2.7
103.05455	1.4
103.73769	1.4
105.03386	1.4
105.07042	9.2
107.04961	3.0
107.08589	5.7
109.02792	1.1
109.06522	15.7
113.02147	2.7
114.54508	1.1
115.05470	2.1
117.07018	3.7
119.04945	2.1
119.08588	5.4
121.06496	6.5
121.10120	2.7
123.04419	2.8
123.08066	15.4
128.06236	3.5
129.07013	4.6
131.04939	4.8
131.08583	4.0
133.06480	7.6
133.10107	2.9
133.92599	1.1
135.04530	1.1
135.08060	3.2
137.05981	33.7
137.07034	1.8
139.07567	1.3
141.06975	4.4
142.07761	2.4
143.08533	6.0
145.06480	15.2
145.10124	4.8
147.04410	2.0
147.08055	8.1
149.05986	5.0
149.09685	1.8
151.07524	6.8
153.07030	1.8
155.07407	1.7
155.08537	8.8
157.06511	3.6
157.10132	4.6
158.07289	3.3
159.08063	11.1
159.11739	1.1
161.05995	3.5
161.09621	3.2
163.07549	2.3
163.11281	1.2
165.07010	3.2
165.09070	1.9
166.07764	2.5
167.07137	2.4
167.08598	3.5
168.09361	1.5
169.06490	2.1
169.08736	2.1
169.10172	4.9
171.08098	11.9
171.11690	1.7
173.06036	2.7
173.09566	6.9
175.07602	4.1
177.09123	2.3
178.07790	3.2
179.08585	7.3
180.09329	2.0
181.06476	1.7
181.10153	4.4
182.07294	1.5
183.08067	9.5
183.11697	2.7
184.08821	3.1
185.04184	5.6
185.05807	1.1
185.09633	6.1
186.06728	1.3
187.07610	4.8
187.11206	2.0
189.09077	2.3
190.07811	1.3
191.06996	1.3
191.08559	2.6
192.09367	4.2
193.08527	2.4
193.10146	5.7
194.07256	2.2
195.06622	1.1
195.08029	5.3
195.11688	3.8
196.08788	1.7
197.09657	6.0
199.07524	3.3
199.11127	1.2
201.05276	1.8
201.09160	4.1
202.07759	2.5
203.05325	1.5
203.08575	4.1
204.09293	2.3
205.06412	1.4
205.10168	5.4
207.08122	1.4
207.11682	6.8
208.08571	1.4
208.12279	1.5
209.09659	6.7
209.13303	2.2
210.10391	2.0
211.07590	3.3
211.11197	4.8
213.09174	2.7
215.10667	1.4
216.07579	12.2
216.09367	2.0
217.10155	5.1
218.10962	3.2
219.08105	3.3
219.11752	4.9
220.08832	4.6
221.09666	6.6
221.13058	1.7
222.10382	2.6
223.07625	1.8
223.11116	5.3
225.09125	3.5
225.12767	4.8
227.10556	1.7
229.10265	1.5
229.12236	2.0
231.11728	2.9
232.12453	2.1
233.09615	4.5
233.13329	4.1
234.10410	2.2
234.13921	1.4
235.11238	16.8
236.11844	3.4
237.09109	2.9
237.12744	7.4
237.16206	1.5
238.09949	1.5
239.10733	4.4
239.14360	1.6
242.10799	1.5
243.10052	2.3
245.09583	6.3
246.10490	6.1
247.11220	5.5
247.14885	3.3
248.08321	2.6
249.09160	1.4
249.12691	5.9
250.13332	2.0
251.10701	5.7
251.14357	7.4
253.12358	6.8
255.10242	1.3
257.13315	3.2
259.11163	3.1
260.12003	4.4
261.09045	1.4
261.12723	7.2
262.13388	1.9
263.10669	9.9
264.11389	2.4
265.12192	4.2
265.15933	4.1
267.10275	2.1
267.13815	2.9
269.11713	1.8
269.15479	1.8
270.10413	1.4
271.14844	2.0
273.12842	2.4
274.13586	1.6
275.14316	10.8
277.12247	4.3
277.15744	1.6
279.13873	5.2
281.11783	7.0
283.13507	2.7
285.12793	2.9
285.46729	1.1
287.10620	1.3
289.12299	1.9
289.15750	1.5
291.13779	2.3
291.17484	1.3
293.15298	9.0
295.13370	6.5
299.12689	10.7
301.15808	1.8
303.13864	7.3
305.11731	3.2
307.13254	1.4
317.15231	3.2
319.13309	2.0
321.14981	5.9
323.12827	1.8
333.15063	1.4
335.16489	2.3
339.15997	5.2
345.14734	1.4
353.17551	1.6
355.16711	1.3
363.15970	3.3
373.17996	5.1
377.17175	1.7
381.11966	1.5
381.16879	3.6
383.16269	2.9
391.14267	2.0
391.18997	10.2
393.16632	2.2
395.18417	1.4
401.17401	14.3
407.18381	1.9
409.20108	7.4
415.19165	2.6
417.20816	6.9
419.18542	38.6
420.19025	3.9
433.19980	2.5
435.21640	4.2
437.19617	100.0
438.19836	8.1
443.18570	4.0
451.21213	1.4
453.22675	3.0
455.20688	12.6
461.19604	13.2
462.20078	1.5
473.21490	1.2
479.20639	24.7
480.21033	3.2
497.21683	20.0
498.21915	2.3
515.22839	6.8
557.23322	4.1
575.20898	85.1
576.21295	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01879	2.5
55.05513	3.8
57.07066	4.0
60.05648	18.7
66.21696	2.0
67.05495	5.4
69.03431	3.6
69.07074	4.2
69.17818	16.7
79.05497	6.2
81.07058	22.3
83.04995	3.1
83.08614	2.5
83.26340	2.2
85.10175	2.5
91.05496	5.3
93.07062	6.1
95.04981	4.1
95.08620	8.0
96.15836	2.0
97.06540	2.7
98.22614	5.0
99.04482	4.2
103.05470	2.7
105.07033	8.3
107.05037	2.8
107.08607	7.7
107.57872	2.4
109.06515	7.6
109.10171	2.6
115.92922	1.9
117.07031	4.5
119.04965	2.2
119.08625	7.3
121.10142	4.2
123.08057	10.4
125.06046	2.6
131.04991	3.3
131.08556	8.8
133.10107	2.7
135.08049	5.4
137.05991	18.2
141.06990	3.7
143.08531	11.0
145.10149	7.9
155.08557	5.9
157.10139	7.8
159.08032	5.4
159.11696	3.6
161.09628	5.8
163.07619	2.7
165.06972	3.1
167.08609	4.2
169.10199	7.9
171.11687	4.7
173.09688	5.4
177.09045	2.5
178.11432	2.2
179.23273	2.2
181.10132	5.9
183.11688	3.9
185.09628	4.0
189.09084	3.8
192.09341	2.6
193.10165	4.0
195.11729	7.2
197.09616	3.2
197.13287	4.5
205.10193	2.9
207.11719	4.6
209.13303	5.4
218.10802	2.3
219.11751	3.2
221.13263	7.2
223.14786	5.3
233.13437	3.7
235.14853	7.2
237.16438	4.5
245.13287	6.8
247.14815	3.6
263.14377	7.7
263.17984	2.4
265.15961	4.7
265.19748	2.5
275.18344	3.1
277.15863	2.8
281.15372	5.5
281.19031	2.5
283.16910	4.3
294.08984	2.4
307.16885	3.1
311.20062	5.5
323.16690	2.7
325.18036	3.5
339.19345	4.1
353.21091	4.1
373.06744	2.6
386.76871	2.5
391.22668	4.3
401.21091	6.7
409.23825	4.2
419.22095	28.3
420.22406	2.9
435.25809	4.9
437.23254	100.0
438.23569	7.6
451.20688	3.3
453.21957	3.0
453.27234	2.6
455.24185	4.8
461.23328	7.2
477.18860	3.2
479.24646	17.7
497.25861	11.7
498.25629	2.9
520.09760	2.7
541.20667	9.9
557.20270	7.7
575.30878	4.9
575.49573	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.1
53.03950	10.2
55.01871	17.4
55.05510	52.4
57.03437	20.0
57.07084	6.0
57.55503	1.8
59.05001	3.2
60.53851	1.6
65.03935	7.3
67.05502	78.1
69.03423	13.0
69.07064	27.6
69.12584	11.4
69.12991	4.1
71.05003	10.9
71.08634	3.6
75.47183	1.6
79.05493	72.0
81.03418	82.4
81.07054	100.0
82.07367	2.0
83.04981	29.4
83.08616	39.4
85.02899	9.9
85.06548	5.0
86.15794	1.5
87.77684	1.6
91.05481	68.6
93.07039	60.2
95.04970	53.2
95.08602	40.8
97.02888	3.9
97.06524	16.6
97.10175	21.7
98.23360	3.0
99.04445	5.9
99.08105	6.5
99.24628	2.1
103.05456	3.9
105.04529	4.8
105.07021	54.0
107.04961	17.7
107.08592	37.4
109.06516	28.8
109.10149	27.9
111.04456	18.2
111.08071	17.1
113.06023	7.0
115.05466	4.9
116.06223	2.1
117.07006	24.7
119.04950	4.4
119.08572	50.2
121.06508	18.6
121.10146	24.9
123.04458	2.2
123.08055	31.2
123.11710	4.1
125.05996	2.9
125.09635	21.1
127.07524	2.4
128.06215	7.0
129.05498	3.5
129.07010	21.2
131.08574	33.6
133.06471	13.7
133.10130	22.1
135.04424	2.1
135.08067	17.5
135.11678	17.5
137.05954	2.3
137.09630	5.8
139.07549	6.0
139.66484	1.7
141.06992	7.7
142.07796	6.6
143.08539	18.6
145.06451	10.4
145.10133	28.3
146.10526	2.3
147.08034	15.4
147.11684	19.3
149.05963	2.2
149.09636	18.1
149.13252	3.9
151.11165	4.1
153.09131	5.7
153.12753	6.9
155.08597	10.1
157.06491	2.5
157.10136	26.1
159.08083	8.0
159.11644	11.7
161.09619	12.6
161.13284	5.1
163.11171	17.5
163.33012	2.0
165.09100	4.5
165.12735	2.1
167.08533	2.7
168.09470	2.0
169.10124	12.4
171.08018	4.9
171.10304	3.1
171.11638	10.8
173.09621	10.4
173.11864	3.5
173.13348	5.1
175.11162	17.3
177.12805	3.8
180.09367	2.5
181.10158	6.7
181.12196	9.9
182.10947	2.5
183.07977	1.9
183.11720	7.2
185.09650	6.3
185.13312	4.9
187.11186	7.0
187.14874	2.2
189.09320	3.1
189.11241	17.0
191.10715	8.5
193.12236	29.3
195.11671	7.3
197.09550	2.4
197.13271	5.1
199.11176	6.5
201.12668	3.1
203.10730	3.3
203.14320	3.6
205.12215	4.2
207.11707	4.3
209.09750	2.7
209.11540	4.3
209.13295	3.7
210.13800	2.3
211.11226	5.3
211.13287	15.5
213.12761	3.1
213.16228	2.1
217.15926	5.0
219.11832	3.3
219.13745	17.6
221.13359	3.9
223.11298	3.8
223.13196	4.2
225.12773	3.3
225.16269	1.9
227.12720	15.3
227.18021	2.9
229.12283	3.3
245.19099	3.6
247.14803	2.9
249.14972	2.3
255.17509	4.7
257.18939	3.0
267.15826	23.3
273.18481	34.0
275.20016	10.1
283.15344	5.3
285.16837	4.8
291.19568	46.7
295.16946	2.7
295.20422	3.2
307.19003	2.3
311.20090	2.4
313.21655	4.4
315.19684	4.0
327.19931	2.3
329.21075	4.1
347.22308	8.3
365.23218	8.7
369.24307	2.4
389.23419	2.0
411.25592	2.6
418.07608	2.0
421.23914	2.4
429.27859	2.6
433.25623	2.2
439.24850	34.1
440.25122	4.2
441.26340	3.1
441.81604	2.1
447.28839	8.9
465.29880	10.2
469.25562	2.6
483.31131	11.2
501.32019	5.2
539.33966	8.4
557.34894	33.3
558.34900	3.1
575.26770	4.2
575.35938	42.4
575.50244	8.2
576.35522	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28008	3.7
67.05510	12.6
69.03445	12.8
69.07063	11.2
69.78456	4.2
71.31444	6.4
73.22125	4.3
79.05502	16.8
81.07070	59.8
85.81627	4.5
91.05475	10.7
93.07060	13.0
95.05000	13.2
95.08622	14.2
97.02932	5.6
103.72279	4.8
105.07059	12.5
107.04975	5.9
107.08695	8.0
109.06550	24.7
111.04472	4.5
117.07005	7.3
119.08605	11.5
121.06536	8.3
123.08065	11.9
129.07007	6.0
131.08556	9.7
133.06531	6.7
133.10144	7.1
135.04453	7.0
135.08081	6.8
137.05977	73.0
143.08565	8.3
145.06526	11.2
147.08014	6.7
149.09633	5.4
153.05505	12.1
153.36696	4.3
155.08554	8.2
157.10210	6.7
159.08072	12.8
161.05952	6.4
161.09656	14.3
163.03978	4.9
167.08614	4.7
169.06538	4.9
169.10101	5.7
171.08037	13.0
173.09607	8.9
175.07538	8.9
179.08574	5.0
179.10707	11.2
183.08095	8.1
185.09683	10.1
187.07614	6.9
187.11098	4.5
189.05608	5.2
189.09154	7.6
195.08081	9.3
197.09712	7.3
199.07529	5.1
201.12747	4.9
207.11865	6.0
209.09767	8.7
211.07448	8.5
211.11160	9.3
221.09720	6.6
223.11221	7.9
225.09213	7.4
227.10835	6.3
229.08844	5.1
229.12228	6.4
237.12820	8.2
239.10721	7.9
241.08786	5.2
247.11101	6.0
251.82198	5.1
253.12520	4.9
263.10641	12.1
281.11649	8.5
321.11230	8.3
323.12650	11.6
341.15012	5.1
347.16440	6.5
405.16891	8.3
421.20230	5.3
423.17892	11.6
424.14877	6.7
433.16467	13.9
449.15787	5.7
451.17249	22.4
453.22815	8.7
469.18286	9.9
477.18967	7.6
479.20450	22.7
481.18420	8.9
485.17810	50.5
495.19913	13.1
497.21793	30.4
505.18610	14.4
513.21179	63.6
515.22498	8.3
523.11786	5.6
523.19623	100.0
524.20093	8.7
541.20795	59.5
559.21606	15.2
576.27570	14.7
576.50488	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.2
63.78933	2.7
67.05509	5.3
71.08637	2.9
71.31457	3.8
77.52164	2.5
81.07030	3.6
83.04958	3.3
93.07040	2.4
95.08580	3.4
154.12416	3.2
194.07251	3.0
207.07939	4.3
209.09610	3.1
221.06068	6.6
222.06697	6.4
223.07408	3.4
224.08337	5.3
225.05389	3.6
233.06096	4.5
235.07588	6.4
237.05461	7.5
237.09081	8.8
239.10683	4.2
240.07811	3.0
249.09235	4.2
250.06287	12.5
251.06952	4.8
252.07787	14.3
254.05701	4.2
254.09233	3.4
263.07013	4.6
264.07883	3.5
265.08652	19.5
266.05933	3.1
266.09277	4.6
267.06403	4.2
267.10165	22.1
268.07297	4.2
269.08151	3.7
270.08566	2.7
271.06030	3.9
279.06485	5.6
280.07306	9.1
281.07797	5.4
282.08704	5.3
285.07385	4.9
291.06567	4.2
293.08063	27.7
294.08731	10.0
295.06290	5.1
295.09534	39.4
296.06778	4.9
296.09970	6.6
297.07507	6.9
297.10999	5.3
299.09058	9.0
299.12430	3.8
300.06299	4.4
308.10590	2.7
309.07547	4.7
310.08380	5.3
311.09140	7.5
313.07101	4.8
315.08627	10.1
323.09036	9.4
325.10678	43.8
326.11169	6.8
327.08582	14.0
327.12335	7.0
328.09311	8.3
329.10205	8.2
340.09161	4.2
341.10147	3.3
342.10931	37.8
343.11423	7.0
355.11725	100.0
356.12134	10.3
357.13300	89.0
358.13812	4.6
359.11243	16.7
367.11148	2.9
381.13358	6.1
399.14407	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.05510	1.8
57.03439	0.9
57.07076	1.3
65.03934	1.7
67.01884	0.6
67.05509	4.8
69.03426	9.2
69.07072	1.6
69.52658	3.8
69.52968	1.0
71.05008	1.0
78.91342	0.6
79.05486	15.6
81.03423	2.3
81.07055	88.8
82.07383	3.0
82.07795	0.6
83.04986	1.1
83.08618	1.5
85.02883	0.8
91.05470	12.9
93.07047	3.6
95.04983	2.7
95.08607	4.9
97.02927	0.9
97.06525	1.0
105.07035	3.5
107.04945	1.6
107.08607	4.4
109.06516	24.6
109.10153	1.8
115.05462	1.9
117.07016	3.7
119.08592	4.6
121.06487	1.1
121.10117	1.5
123.08083	1.8
125.09638	0.7
128.06166	0.8
129.07028	2.3
131.08556	2.3
133.06491	1.1
133.10150	1.9
135.08018	3.3
135.11678	1.4
137.05974	100.0
138.06332	2.6
143.08566	2.1
145.06493	7.5
145.10104	1.7
147.08020	7.9
147.11684	0.9
148.08362	1.0
149.05991	1.3
155.08548	1.3
157.06502	0.7
157.10120	1.4
159.08015	1.1
161.06004	1.0
161.09625	1.6
163.07520	4.5
163.11182	1.6
167.08620	0.6
171.11717	1.1
173.05989	2.5
173.09663	2.0
175.07558	7.3
175.11179	1.8
179.08540	0.9
183.07997	0.9
183.11620	1.0
185.09645	1.6
187.11174	1.3
191.07031	7.1
195.11679	0.9
197.13062	0.9
199.11105	1.6
201.09000	1.2
203.07011	17.1
207.11450	0.6
209.09593	0.7
211.11118	0.8
213.12791	1.9
215.10622	0.7
217.08560	1.0
221.09563	0.7
237.12782	1.2
251.10715	1.3
255.13678	1.0
257.11667	1.6
265.12598	0.6
267.13794	1.1
269.11615	1.0
285.11157	0.8
285.14734	0.8
287.13101	0.9
293.11710	0.7
295.13504	0.8
341.13852	1.0
393.20526	2.2
403.19070	3.6
405.15369	0.9
405.20407	1.6
421.20169	10.2
422.20334	1.1
431.18536	3.1
433.20111	3.8
441.16980	0.9
449.19324	2.0
459.17926	5.2
467.20111	1.2
477.19092	5.2
493.79749	0.7
495.20135	9.5
496.20740	1.0
513.20892	3.1
523.19403	2.0
541.20532	10.0
542.20795	1.2
544.25946	0.8
575.50189	1.3
576.24756	0.9
576.34930	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23234	0.7
53.03935	0.8
55.01868	2.6
55.05511	3.0
57.03438	2.6
57.07063	1.1
59.04994	0.9
60.05673	0.9
67.05499	4.6
69.03436	2.4
69.07072	1.6
70.02020	2.8
79.05509	4.9
81.03427	3.0
81.07063	5.9
83.01335	1.2
83.04987	1.0
83.08649	1.8
91.05476	4.5
93.07056	2.8
95.04429	0.7
95.04975	3.0
95.08603	4.0
97.02914	1.2
97.06517	1.6
103.05466	0.8
105.07040	6.2
107.04977	1.6
107.08601	2.7
107.65868	0.7
109.06522	4.1
109.10165	0.8
111.08072	2.4
115.05438	1.0
117.07036	2.3
119.04952	1.1
119.08574	4.0
121.06478	4.4
121.10118	1.1
123.04434	1.3
123.08071	4.0
128.06227	0.9
129.07039	2.9
131.04846	1.0
131.08594	3.5
133.06503	2.9
133.10141	3.7
135.08067	3.5
137.05995	3.3
139.07542	1.4
140.67952	0.8
141.06985	1.4
142.07777	1.4
143.08571	2.8
145.06535	2.1
145.10115	3.2
147.08070	3.5
147.11739	1.5
149.06079	0.9
149.09636	2.2
151.07544	1.7
153.06917	0.8
154.07809	0.9
155.08614	2.7
157.10135	3.1
159.08063	3.3
159.11687	1.4
161.06029	1.4
161.09653	3.4
163.07567	2.1
163.11263	0.9
165.05615	0.8
165.09103	1.2
166.07671	0.7
167.08563	1.4
169.10101	1.9
171.08011	1.7
171.11746	1.5
172.08833	0.9
173.06015	1.6
173.09621	3.5
175.07617	2.8
175.11169	1.5
177.05501	0.9
177.09129	0.9
181.10231	0.9
183.08041	1.8
185.09564	4.7
187.07639	1.0
187.11203	2.1
189.05443	1.0
189.09174	3.0
189.12628	1.1
191.07001	0.8
191.10675	1.0
193.10202	1.1
193.12328	1.3
195.08157	1.5
195.11688	1.4
196.08469	1.0
197.09653	2.2
197.13315	0.9
199.07556	1.9
199.11195	2.1
201.09164	1.6
203.10701	2.2
207.10121	1.3
207.11806	1.2
209.09616	1.9
209.13327	0.9
211.07518	1.1
211.11272	1.1
213.09174	1.9
213.12764	1.1
215.06970	0.8
215.10579	1.3
217.12259	1.6
221.09579	1.1
223.11180	1.0
225.09158	0.7
225.12753	1.5
227.10652	1.8
233.13409	0.9
233.30548	0.7
237.12791	1.1
239.14171	1.0
241.08638	1.3
241.12122	0.9
243.13994	0.9
246.14178	1.0
249.12924	1.2
251.14304	0.9
255.14000	1.0
261.13034	0.9
267.16025	1.8
269.12115	0.8
277.12314	1.0
277.15814	1.0
279.13556	0.9
380.72717	0.8
410.69315	1.0
423.17816	4.1
433.19870	2.0
451.21158	15.1
452.21283	1.6
453.23068	4.5
459.25873	1.6
477.19073	5.3
477.26761	1.5
479.20554	4.4
485.18018	9.8
486.18341	0.9
497.21786	1.3
505.18814	1.3
513.21179	28.4
514.21704	2.2
515.22736	47.8
516.22626	5.0
523.19092	1.4
541.20673	100.0
542.21106	9.0
559.21497	4.7
574.72223	0.9
575.50287	1.2
576.35480	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.1
55.05513	3.3
62.80211	2.1
65.03925	2.6
67.05505	3.1
69.03426	11.8
70.52411	5.1
70.52744	2.2
71.05016	2.9
73.17297	1.9
77.60689	1.9
79.05498	6.2
81.07050	19.4
81.29607	2.2
83.04941	2.8
91.05476	8.7
93.03397	2.5
93.07031	10.4
95.04987	5.7
95.08596	5.6
97.06516	4.1
98.22645	2.2
99.04436	4.3
105.07052	11.3
107.04955	3.6
107.08601	4.7
109.06511	9.7
111.08085	4.1
117.07019	5.3
119.08575	7.5
121.02099	2.3
121.02854	13.6
121.06522	11.4
123.04414	3.4
123.08068	9.9
125.06019	2.6
128.06279	5.0
129.06979	10.1
131.08598	11.3
133.06480	4.0
133.10115	3.4
135.08044	7.2
137.02307	2.6
137.05981	28.4
137.09636	2.3
139.07544	4.9
141.06982	4.5
142.07776	6.8
143.08537	9.9
145.06483	5.3
145.10135	9.2
147.04416	11.5
147.08028	5.1
149.05960	4.7
149.09627	3.5
151.07578	4.0
153.05453	2.6
153.06967	1.9
154.07761	3.0
155.08554	16.2
156.09361	4.6
157.06473	3.3
157.10121	15.6
159.08086	14.3
161.06079	2.5
161.09599	8.7
163.07611	4.6
165.07008	3.2
169.10120	18.9
171.08025	10.3
171.11681	5.8
172.08795	2.4
173.06046	3.6
173.09619	15.5
175.07521	9.5
175.11162	4.6
177.09120	4.6
179.08534	3.1
181.10123	6.1
182.07207	2.2
183.08096	7.7
184.08737	2.2
185.09608	8.4
185.13344	2.3
187.07556	6.9
187.11212	6.5
189.09088	8.1
191.07082	2.9
195.08147	5.9
195.11714	4.2
197.09595	12.1
199.07535	6.4
199.11221	10.5
201.09154	20.2
202.09889	2.9
203.07118	4.0
203.10704	2.4
205.08562	3.6
207.11789	4.7
209.09613	6.1
211.07518	3.8
211.11232	3.5
213.09142	7.1
215.10620	12.2
217.08525	3.7
217.12216	5.0
223.11212	3.1
225.09090	9.8
227.10689	2.7
229.08559	5.3
231.10034	3.5
233.09674	2.9
233.11601	2.9
234.10535	2.6
237.12712	3.3
239.10646	4.4
243.10194	11.2
249.12833	2.7
251.10701	3.6
251.14380	3.4
253.08652	2.3
253.12239	4.5
261.11282	6.7
265.12302	3.4
267.13785	3.1
269.11621	2.9
273.13040	2.4
275.14319	2.9
277.12274	2.8
281.11792	2.3
289.15854	3.0
291.12268	2.3
291.97415	2.2
293.11859	2.7
305.15268	5.6
329.15027	2.7
331.16827	2.5
347.16245	4.9
349.17740	3.1
351.15775	2.5
362.14581	2.8
363.15692	2.6
371.15219	3.1
379.15375	4.2
389.17426	4.1
393.16626	3.8
399.14883	3.0
403.15216	3.2
405.20505	2.9
407.18686	4.7
409.15930	3.1
417.16409	4.3
421.16132	4.7
427.13718	6.8
431.18460	6.0
433.20175	5.1
435.17947	6.6
439.17334	5.7
445.14963	32.6
446.14951	2.7
449.19601	21.1
450.20297	2.3
451.21176	14.0
453.18921	7.4
455.16644	3.8
457.18234	3.0
459.17905	5.9
461.19238	2.5
467.16229	6.7
467.21228	5.9
469.22504	3.9
471.19919	3.2
477.18918	21.8
478.19470	2.7
479.20682	5.2
481.18741	10.0
495.20114	66.5
496.20313	7.4
497.21750	18.5
498.21445	2.5
499.19525	5.2
505.18689	13.5
513.21210	36.3
514.21381	4.7
515.22809	4.0
523.19678	59.3
524.19812	7.1
531.22107	9.2
541.20660	100.0
542.21252	10.2
559.21765	68.9
560.21930	6.9
576.26398	2.8
596.92639	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45293	1.4
57.07069	1.9
60.87743	1.4
67.05502	4.7
69.03431	7.9
69.06108	12.9
69.71852	1.7
71.08641	1.8
79.05491	13.0
81.03442	1.9
81.07059	81.3
83.04961	1.5
91.05481	7.5
93.07062	3.9
95.04964	4.3
95.08617	4.9
105.07027	4.5
106.08146	1.6
107.08598	3.8
109.06523	38.2
109.07265	3.2
110.06905	1.9
112.84550	1.7
117.07009	2.6
118.60481	1.5
119.08597	5.4
121.06501	2.7
123.08061	2.9
128.06206	2.8
129.07031	3.8
131.08566	4.4
133.06461	2.6
133.10085	3.6
135.08047	3.8
137.05981	100.0
138.06316	3.2
143.08572	4.8
145.06468	5.9
145.10103	2.0
147.08037	5.6
149.05949	2.8
153.07045	2.1
155.08560	5.1
157.06436	2.3
157.10106	3.1
159.08061	2.4
161.06052	2.1
161.09651	3.1
163.07512	1.9
165.07034	2.0
169.10161	2.2
171.08046	7.6
172.08887	1.7
173.06061	1.7
173.09645	5.4
173.18524	1.6
174.10092	1.6
175.07565	3.3
175.11281	3.1
179.08485	2.9
181.08656	2.2
181.10149	3.3
183.08125	2.3
183.11784	2.1
185.09686	2.7
187.11165	2.8
188.08368	1.7
189.09140	4.4
191.07124	2.9
191.82245	1.8
193.10129	4.1
195.08087	2.2
195.11601	1.9
197.09641	4.9
201.09096	2.9
203.10582	1.8
207.07991	1.7
207.11697	2.4
209.09663	4.4
211.11185	2.0
213.12868	2.5
215.10637	1.9
221.09749	4.0
221.13390	2.7
223.11142	3.8
225.12703	2.3
231.10052	7.6
233.09561	2.4
235.11165	3.6
237.12863	2.9
239.14413	2.4
247.11147	4.8
248.11838	1.6
249.12894	3.7
251.14342	2.2
263.14380	3.3
264.15009	1.8
265.12280	4.0
265.15143	2.2
269.11679	1.9
277.15784	7.4
279.13788	1.7
287.14276	3.7
295.16873	3.2
305.15274	8.4
307.13248	2.1
321.18701	2.3
323.16443	3.2
347.16486	2.2
359.14890	4.3
375.19675	2.4
385.17981	3.3
393.20618	6.4
403.19043	19.9
404.19370	2.0
405.20618	2.3
419.22336	2.4
420.22833	2.4
421.20074	47.0
422.20282	3.6
431.18506	4.6
437.23172	6.1
438.23590	9.7
438.85580	1.7
439.21323	9.8
445.19925	3.0
449.19440	5.6
457.15793	1.6
463.21188	11.5
467.20728	2.7
477.18954	2.6
481.22269	21.6
495.19965	2.6
499.23306	18.6
512.96252	1.7
513.21094	13.5
514.21100	2.3
541.20551	3.3
559.24817	2.0
576.17651	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45293	1.4
57.07069	1.9
60.87743	1.4
67.05502	4.7
69.03431	7.9
69.06108	12.9
69.71852	1.7
71.08641	1.8
79.05491	13.0
81.03442	1.9
81.07059	81.3
83.04961	1.5
91.05481	7.5
93.07062	3.9
95.04964	4.3
95.08617	4.9
105.07027	4.5
106.08146	1.6
107.08598	3.8
109.06523	38.2
109.07265	3.2
110.06905	1.9
112.84550	1.7
117.07009	2.6
118.60481	1.5
119.08597	5.4
121.06501	2.7
123.08061	2.9
128.06206	2.8
129.07031	3.8
131.08566	4.4
133.06461	2.6
133.10085	3.6
135.08047	3.8
137.05981	100.0
138.06316	3.2
143.08572	4.8
145.06468	5.9
145.10103	2.0
147.08037	5.6
149.05949	2.8
153.07045	2.1
155.08560	5.1
157.06436	2.3
157.10106	3.1
159.08061	2.4
161.06052	2.1
161.09651	3.1
163.07512	1.9
165.07034	2.0
169.10161	2.2
171.08046	7.6
172.08887	1.7
173.06061	1.7
173.09645	5.4
173.18524	1.6
174.10092	1.6
175.07565	3.3
175.11281	3.1
179.08485	2.9
181.08656	2.2
181.10149	3.3
183.08125	2.3
183.11784	2.1
185.09686	2.7
187.11165	2.8
188.08368	1.7
189.09140	4.4
191.07124	2.9
191.82245	1.8
193.10129	4.1
195.08087	2.2
195.11601	1.9
197.09641	4.9
201.09096	2.9
203.10582	1.8
207.07991	1.7
207.11697	2.4
209.09663	4.4
211.11185	2.0
213.12868	2.5
215.10637	1.9
221.09749	4.0
221.13390	2.7
223.11142	3.8
225.12703	2.3
231.10052	7.6
233.09561	2.4
235.11165	3.6
237.12863	2.9
239.14413	2.4
247.11147	4.8
248.11838	1.6
249.12894	3.7
251.14342	2.2
263.14380	3.3
264.15009	1.8
265.12280	4.0
265.15143	2.2
269.11679	1.9
277.15784	7.4
279.13788	1.7
287.14276	3.7
295.16873	3.2
305.15274	8.4
307.13248	2.1
321.18701	2.3
323.16443	3.2
347.16486	2.2
359.14890	4.3
375.19675	2.4
385.17981	3.3
393.20618	6.4
403.19043	19.9
404.19370	2.0
405.20618	2.3
419.22336	2.4
420.22833	2.4
421.20074	47.0
422.20282	3.6
431.18506	4.6
437.23172	6.1
438.23590	9.7
438.85580	1.7
439.21323	9.8
445.19925	3.0
449.19440	5.6
457.15793	1.6
463.21188	11.5
467.20728	2.7
477.18954	2.6
481.22269	21.6
495.19965	2.6
499.23306	18.6
512.96252	1.7
513.21094	13.5
514.21100	2.3
541.20551	3.3
559.24817	2.0
576.17651	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	14.6
55.01869	18.6
55.05505	46.6
62.17447	6.9
65.03929	10.2
65.83409	8.6
67.05506	60.3
69.03426	25.1
69.07085	11.1
69.70651	34.4
79.05493	26.3
80.14065	6.8
81.03402	11.6
81.07050	31.3
83.04978	100.0
85.02901	9.6
91.05482	88.5
93.07043	83.5
95.04974	26.3
95.08601	77.2
97.02918	9.5
97.06523	9.4
98.23352	10.8
99.04482	8.8
102.91356	8.6
103.05470	8.9
105.07040	77.2
107.04961	27.3
107.08604	40.3
109.06524	27.8
109.10152	10.1
111.04438	94.6
111.08076	33.7
115.05463	30.3
117.06986	46.4
119.04935	10.9
119.08577	53.9
121.06532	61.9
121.10209	11.4
123.04440	23.9
123.08096	21.4
127.03930	14.6
128.06224	30.4
129.06999	40.0
131.08551	45.6
133.06523	38.3
133.10161	29.4
135.04425	15.5
135.08047	32.2
137.05971	31.4
137.27190	7.8
139.07584	13.0
140.98125	7.3
141.07016	34.2
142.07777	32.5
143.08578	57.4
144.05783	12.3
145.06517	31.8
145.10121	60.2
146.07320	16.5
147.08055	41.3
149.05943	17.5
149.09666	15.8
154.14119	8.4
155.08574	42.3
157.06459	9.6
157.10146	35.6
158.07266	18.3
159.08073	65.2
159.11737	12.1
160.07599	13.5
160.08888	9.7
161.05980	14.6
161.09610	77.4
163.03955	13.7
163.07463	10.2
165.07008	15.2
166.07762	15.4
167.07089	9.9
167.08545	18.5
169.06511	13.8
169.10155	22.0
171.08084	32.3
171.11740	17.2
173.09601	57.3
175.07538	33.5
175.11224	17.5
177.09055	13.7
178.07857	10.3
179.08485	14.3
180.09229	11.7
181.06555	11.7
181.10100	19.4
183.07997	11.1
183.11638	13.8
185.09615	26.3
185.13358	9.2
187.07565	63.5
187.11214	19.6
188.08195	9.0
189.09131	20.9
191.08589	9.5
191.10716	11.1
192.09302	14.0
193.08559	9.3
193.10129	21.8
194.10966	13.4
195.08047	24.5
195.11694	19.9
197.09650	24.5
197.13133	11.0
199.07603	11.5
199.11143	19.5
201.09120	32.1
201.10907	9.5
201.12788	12.8
203.08621	9.4
203.10727	19.8
204.09317	10.1
205.10260	10.5
206.10989	12.9
207.11732	17.7
209.09642	26.6
209.13281	27.0
211.07417	18.4
211.11201	34.1
213.09065	25.3
213.12819	11.4
215.08722	17.5
215.10637	16.4
217.10234	11.4
218.10933	12.3
219.08195	10.3
219.09979	10.9
219.11887	13.7
220.08855	8.4
221.09666	22.7
222.10362	13.6
223.07564	8.3
223.11200	31.9
225.09128	14.2
225.12851	21.0
227.10747	14.1
228.09052	10.5
229.12234	14.8
230.11034	11.2
231.11676	16.1
232.08820	9.5
233.07967	98.1
233.13251	15.2
235.11234	15.9
237.12778	30.5
239.10660	17.3
241.12328	9.7
243.11905	11.4
244.12439	12.5
245.09660	9.9
247.05937	11.6
247.11195	20.1
247.13313	14.1
249.12825	21.5
253.12352	22.3
255.13820	15.3
257.09326	9.8
257.11658	14.0
259.14786	10.1
260.11948	14.7
261.12704	23.9
262.13556	13.3
263.10641	16.5
263.14441	12.1
265.12161	17.5
271.11121	9.6
271.14447	9.4
273.12622	16.6
275.14398	19.5
286.13480	9.5
289.12314	11.4
289.15665	15.4
291.13846	20.0
293.11679	9.5
293.15417	11.7
297.12503	12.1
299.14331	15.5
301.15820	13.9
303.13861	17.7
303.17224	11.7
311.13986	16.0
315.13849	9.3
315.17410	11.3
321.14975	11.6
329.14908	12.0
333.18323	12.8
341.15021	9.9
407.19794	11.3
425.21152	33.1
434.61279	8.7
435.21231	11.0
443.22437	20.0
453.21039	9.6
459.21579	12.7
461.23438	11.1
471.22021	15.7
487.21109	22.2
489.22675	22.0
505.21872	20.1
507.23865	10.8
523.22961	17.5
576.28455	18.7
577.20874	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29045	1.5
55.05506	4.0
57.03434	1.7
67.05500	7.6
68.99771	2.2
69.07072	2.1
71.30904	2.7
79.05497	4.9
81.07069	8.2
83.04981	6.7
87.55730	1.5
91.05496	7.6
93.07051	13.6
95.04970	5.6
95.08609	14.2
97.06547	2.1
105.07027	12.9
107.08582	8.7
109.06506	9.9
109.10178	2.5
111.04456	6.9
111.08081	4.0
117.07030	5.1
119.08576	10.9
121.06522	4.3
121.10138	2.9
123.04449	4.0
123.08086	12.4
125.09653	2.6
127.03959	1.9
128.06242	2.3
129.07016	4.1
131.08575	6.3
133.10165	6.8
135.04362	2.8
135.08054	6.3
137.05997	3.5
139.07582	4.9
141.07010	1.9
142.07773	4.0
143.08519	7.8
145.06552	3.3
145.10109	10.7
147.08076	4.2
147.11731	3.8
149.09619	4.1
155.08560	11.0
156.09363	3.0
157.10121	8.7
159.08072	5.9
159.11678	7.9
161.09647	4.6
165.07008	2.3
167.08624	3.2
169.10126	11.6
171.08052	2.7
171.11623	7.9
173.09613	14.6
173.13275	2.8
175.07584	2.5
175.11201	4.3
178.07770	1.7
179.08609	3.7
181.10181	6.6
182.10951	2.5
183.11729	5.7
185.09671	4.3
185.13272	4.9
187.11247	4.1
192.09300	3.6
193.08615	3.4
193.10194	4.0
194.10991	3.3
195.11711	9.2
197.09592	3.5
197.13264	4.6
199.11255	5.4
200.36179	1.7
206.10985	2.3
207.11717	9.9
209.13315	5.7
210.10310	2.0
211.11230	4.9
211.14850	3.8
213.12819	4.8
219.11717	4.8
221.13322	4.6
222.13905	2.6
223.11215	4.4
223.14740	1.9
225.12778	3.6
233.13329	3.7
235.14819	4.8
237.12703	3.4
237.16273	2.7
239.14339	3.0
247.14888	3.9
249.12746	2.5
249.16415	4.5
251.14297	3.4
255.13795	2.3
257.13199	2.8
261.12686	2.2
261.16446	2.6
263.14261	1.9
265.15918	1.8
275.14374	1.9
275.17996	2.3
277.15839	4.4
279.17444	1.9
289.16000	2.0
291.17517	2.1
293.18954	1.9
305.18918	1.9
319.17068	2.6
321.18509	2.1
344.53763	1.7
371.23706	2.3
389.24936	2.2
399.23187	7.3
407.25858	5.6
409.76862	1.7
413.24637	3.6
415.26547	3.5
417.24283	32.2
418.24896	3.5
421.27487	2.0
423.25269	4.9
431.25916	7.1
433.27423	7.8
435.25320	41.5
436.25772	3.4
441.24136	2.9
449.26730	5.1
451.28601	8.6
453.26447	31.0
454.26947	2.9
459.25476	15.6
465.26382	3.0
469.29510	2.6
477.26450	32.4
478.26602	5.8
495.27441	18.0
496.27679	2.8
565.01440	1.9
576.35266	100.0
577.35779	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23534	1.6
53.03919	3.1
54.85562	1.5
55.05518	7.6
56.88520	1.5
57.03428	2.3
57.07079	2.9
59.60632	1.5
65.03941	4.6
67.05511	15.9
69.07071	6.8
71.08614	1.6
71.30817	2.7
76.75523	1.5
79.05492	12.8
81.03403	4.1
81.07067	23.0
81.45335	1.6
82.07362	1.7
83.04977	13.8
83.08627	5.5
91.05480	14.1
93.07042	16.4
95.04966	7.5
95.08611	21.0
97.06530	4.8
97.10190	2.5
98.03458	1.5
99.04481	1.8
105.04623	1.6
105.07022	19.0
107.04966	2.0
107.08591	12.8
109.06527	7.5
109.10155	14.5
111.04461	3.2
111.08088	5.1
117.07027	4.6
119.08543	12.7
121.06520	3.7
121.10155	6.0
123.08097	5.4
125.09655	1.9
128.06241	2.9
129.07025	5.8
131.08525	10.4
133.06567	2.6
133.10129	10.3
135.08075	5.0
135.11726	3.7
137.06009	1.8
139.07547	4.0
141.06914	2.3
142.07790	6.1
143.08583	11.3
145.06564	2.3
145.10110	12.8
147.08072	4.8
147.11720	7.1
149.02357	24.2
149.03448	3.2
149.09650	3.4
151.07518	3.0
154.07909	2.2
155.08598	6.1
156.09425	3.0
157.10120	14.0
159.08038	4.4
159.11684	8.8
161.09616	4.6
161.13365	2.7
163.11186	3.6
167.08664	4.2
168.09300	1.9
169.10175	5.7
171.08002	2.9
171.11739	7.0
173.09639	4.5
173.13239	3.3
175.11211	2.2
179.08507	2.1
180.09363	1.8
181.10193	5.0
183.11687	7.1
185.09612	4.4
185.13335	7.1
187.11208	2.0
187.14827	2.0
189.12743	1.8
193.04939	12.7
193.08644	5.4
193.10210	2.4
194.11052	2.1
195.11691	3.6
197.09674	2.1
197.13287	4.7
199.11314	2.2
199.14847	6.3
201.12811	5.0
207.11768	3.3
209.13284	4.1
211.11270	2.8
211.14876	3.7
213.12767	2.9
213.16367	2.1
217.12254	2.0
219.11723	2.7
221.13345	2.9
223.11090	3.1
223.14915	4.5
225.12822	2.1
225.16405	2.9
227.12848	1.9
229.12320	1.9
233.13312	2.4
235.14851	1.7
237.16342	3.5
239.18005	2.7
241.15851	2.5
247.14893	1.9
249.16319	3.2
251.14436	2.7
253.15999	1.9
259.17020	2.0
265.12393	2.0
265.15909	2.3
267.17554	3.1
275.20007	1.8
291.17264	1.8
369.43756	1.7
379.26596	2.3
385.09131	3.4
407.25854	6.4
477.26346	5.2
495.27399	4.2
513.28387	2.4
576.35309	100.0
576.49854	2.7
577.13470	14.0
577.35748	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33175	0.4
70.55752	0.9
78.36744	0.4
98.22960	1.0
165.07002	0.5
167.07143	0.7
181.10219	0.5
201.09106	1.4
202.09895	1.8
207.11707	0.7
209.09647	0.9
210.06769	1.0
211.07584	0.8
219.08145	0.9
220.08952	1.0
221.09601	0.7
225.09190	0.9
226.06258	0.6
228.07724	0.6
232.41589	0.5
235.11234	2.2
236.12015	0.5
237.09087	3.1
238.09859	0.7
239.07047	1.0
240.07835	1.1
243.06514	0.6
247.07573	1.0
248.08311	3.1
249.09062	4.4
250.06169	0.9
250.09789	0.8
251.06963	1.0
251.10709	1.3
252.11438	1.5
253.08681	1.0
254.09367	1.1
256.07315	1.3
257.08057	0.5
258.08890	0.6
261.09152	0.9
262.09705	0.6
263.10736	6.5
264.07956	0.6
264.11407	2.7
264.13812	0.5
265.08606	7.4
265.12033	1.7
266.09308	1.3
266.13193	0.8
267.06458	0.4
267.10251	0.9
267.13861	1.9
269.11844	0.7
271.09711	1.1
277.08588	8.3
278.09302	2.0
279.10019	2.6
280.10938	7.7
281.08484	0.9
281.11679	3.0
282.08868	0.9
282.12094	0.5
284.06714	1.0
285.07626	0.8
285.10995	0.6
291.10159	1.4
292.10898	2.2
293.08084	2.9
293.11664	2.0
294.08850	1.7
294.12335	0.8
295.09848	1.2
295.13235	9.8
295.16467	0.9
296.13800	1.3
297.11197	2.8
299.09109	1.5
300.09793	0.8
307.09738	0.6
308.10388	2.0
309.11188	7.6
312.13571	0.6
313.10590	0.5
314.51407	0.5
323.12766	9.1
324.13525	7.5
325.10712	3.2
325.14273	1.4
327.15778	1.1
340.13034	3.9
341.13791	1.1
345.13297	0.6
355.15387	100.0
356.15881	13.2
387.18036	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54135	0.7
67.05451	0.7
67.81614	0.6
69.07030	0.9
69.50621	3.2
69.68114	0.7
69.68480	0.7
79.05435	0.7
81.07019	1.2
92.79280	0.7
95.08582	0.7
104.79986	0.7
111.04192	0.6
140.27238	0.7
145.10033	0.8
159.08035	0.8
169.91336	0.6
178.13673	0.6
182.07248	0.7
183.08058	0.8
184.34822	0.6
196.05153	0.7
203.08719	0.9
204.07568	0.7
207.11681	0.8
209.09599	1.4
210.06700	1.4
211.07491	1.9
213.05301	1.0
215.60301	0.8
219.08070	1.0
220.08804	1.0
221.09532	1.6
224.04654	1.2
225.05669	0.9
225.09174	1.3
226.06146	1.2
227.06967	1.9
233.09465	1.0
235.07448	0.8
235.11115	2.1
237.05458	0.9
237.09114	1.8
238.06158	1.3
238.09775	1.2
239.06905	1.9
239.10538	0.7
241.04897	1.6
241.12115	1.1
247.07652	1.7
248.08282	1.8
249.09039	4.7
250.09840	2.7
251.06882	1.1
251.10670	3.1
252.11293	1.7
253.08603	2.2
253.12181	2.2
254.09500	1.1
255.06488	2.1
255.10092	1.7
256.07285	3.6
257.08163	3.3
261.09164	0.8
262.09659	1.0
263.06842	0.8
263.10721	3.6
264.11264	1.8
265.08652	5.9
265.12106	4.4
266.05731	2.7
266.09326	3.9
266.12735	0.8
267.06497	6.0
267.09729	1.5
267.13733	1.2
269.04373	1.9
269.07935	0.8
269.11722	2.7
270.08789	0.8
271.06174	0.7
271.09589	1.9
277.08698	5.2
278.09299	1.9
279.06848	1.2
279.10095	3.9
280.07288	2.0
280.10876	3.8
281.08072	3.3
281.11679	9.4
282.08878	0.9
282.12036	1.1
283.09534	1.1
284.06744	6.2
285.07571	14.0
285.10748	0.8
286.07632	0.7
287.09018	0.9
291.09998	4.2
292.10934	1.5
293.08051	4.1
293.11667	5.7
294.08801	3.5
294.12015	1.4
295.09656	3.6
295.13239	6.8
296.09940	0.7
296.13599	1.2
297.11115	5.0
298.08456	1.4
298.11804	1.6
299.09137	8.1
300.09845	4.4
303.08398	0.9
305.12039	0.8
306.12564	0.9
307.09525	2.6
308.10303	4.2
309.11227	13.4
310.11975	3.9
311.09186	1.2
311.12631	1.2
312.13556	2.3
313.14258	1.9
314.11444	8.1
317.10156	1.8
318.10941	0.9
322.11981	3.3
323.12732	10.3
324.13361	3.1
325.10611	4.3
325.14307	5.4
326.11313	1.8
327.15826	3.2
331.11826	1.1
337.14297	1.5
340.12967	10.2
341.13824	30.6
342.14197	2.2
345.13373	1.0
355.15378	60.0
356.16125	89.3
357.16541	7.5
359.18576	3.0
387.17993	100.0
388.18307	7.4
400.92514	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
56.76945	0.6
57.07063	1.1
62.20033	0.5
67.05495	2.2
69.32717	2.0
69.33141	2.2
72.68223	0.6
79.05487	1.2
81.07050	2.0
81.32865	0.5
89.06002	0.6
91.05466	1.0
93.07067	1.4
95.08604	2.0
104.50731	0.5
105.07044	1.1
107.08573	1.1
109.10182	1.3
114.64024	0.5
119.08612	1.4
121.10144	1.0
131.08554	0.8
133.10117	1.5
143.08517	0.7
145.10123	1.3
147.11703	0.8
153.05524	0.7
153.89934	0.7
157.57097	0.6
159.08041	0.7
159.11674	1.0
165.17741	0.6
167.07048	1.4
168.07332	0.6
171.08047	1.6
173.09618	0.7
201.09056	1.7
202.09935	2.6
202.16798	0.6
205.10350	0.6
207.08215	0.8
209.09558	0.7
210.06842	0.6
211.07535	0.8
213.05461	0.7
219.08064	0.8
219.10097	0.6
220.08794	1.0
221.09775	0.7
221.11812	1.5
222.12119	0.6
225.08990	0.8
227.06981	0.7
231.17432	0.8
234.10474	0.8
235.07607	0.8
235.11189	1.4
237.09102	3.4
238.06267	0.9
238.09787	0.8
239.07111	0.9
241.05077	1.0
247.07658	0.8
248.08359	2.5
249.09094	3.8
251.07019	0.8
251.10657	2.0
252.07628	1.1
252.11533	2.7
253.08705	1.3
254.09492	1.1
255.10022	0.7
256.07373	1.4
262.09912	1.6
263.10626	3.8
264.11380	1.7
265.08606	6.9
265.11548	1.1
266.09454	1.4
267.06604	1.5
267.13800	1.1
271.09561	1.4
277.08646	4.2
277.11664	0.6
278.09256	1.1
279.06860	0.8
279.10165	2.7
280.10947	7.8
281.08286	0.7
281.11618	2.1
282.08823	1.6
284.06857	1.9
285.07629	1.2
291.10162	3.1
292.10840	1.7
293.08047	2.8
293.11420	1.2
294.08694	1.2
294.12369	0.9
295.13260	8.8
296.13974	1.3
297.11227	2.3
299.09238	2.6
306.12415	3.1
307.09924	0.8
308.10480	3.9
309.11258	5.1
312.13458	1.1
323.12790	7.9
324.13382	4.4
325.10715	2.3
325.14203	1.4
327.15921	1.8
340.12952	3.1
341.13739	1.4
355.15402	100.0
356.15915	11.6
387.17947	7.5
388.18390	0.7
576.33801	1.9
576.50763	0.8
601.09320	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.4
57.07079	2.2
58.10503	1.1
60.39099	1.3
64.53790	1.2
67.05505	4.6
68.80561	1.0
69.07051	1.3
69.39037	6.7
71.08624	1.9
79.05483	1.5
79.58289	1.2
81.03428	2.2
81.07046	4.6
81.88314	1.2
90.39973	1.2
91.05485	1.8
93.07069	1.9
95.08608	3.8
99.04471	1.3
102.99004	1.1
105.07027	2.4
107.08560	1.5
109.10178	1.6
118.08818	1.0
119.08542	1.8
121.10146	1.5
130.15926	2.8
131.08569	1.4
139.37790	1.0
143.08574	1.4
147.11707	1.5
148.56329	1.1
154.87378	1.1
159.11597	1.3
167.06987	1.6
199.76183	1.2
206.10968	1.3
209.09679	1.9
220.08801	1.6
221.09727	1.3
223.11334	1.3
225.09035	2.4
226.06262	1.3
235.11084	2.3
237.09108	6.2
238.09746	1.4
239.06982	1.4
240.07825	1.3
243.06401	1.9
248.08331	3.1
249.09172	3.9
250.09724	2.0
251.10672	3.5
252.11478	5.0
253.08620	3.8
253.12230	1.3
255.06641	2.6
255.10066	1.9
256.07318	4.3
257.07996	2.3
259.09711	1.4
263.10669	7.2
265.08618	7.8
265.11917	2.1
266.09189	1.2
267.06616	1.8
267.10254	3.8
267.13425	1.6
267.16074	2.9
269.11633	2.5
270.09012	1.3
271.09619	3.1
277.08627	1.9
279.06573	1.4
279.10071	2.8
280.08087	1.4
280.10931	9.5
281.08157	3.7
281.11703	10.9
282.08850	1.8
284.06827	2.2
285.07553	11.2
286.08170	1.6
291.10172	3.4
292.10864	3.2
293.08090	4.7
293.11697	6.3
294.08777	3.2
294.12338	1.6
295.09949	2.3
295.13251	18.0
296.13904	4.2
297.11240	5.5
299.09256	6.9
299.12228	1.3
300.09885	4.4
308.10416	7.7
309.11322	12.6
309.14874	2.9
310.11829	1.8
312.13351	7.9
313.10568	1.3
313.14413	2.2
313.27405	2.5
314.11520	7.0
317.10239	2.6
323.12799	17.4
324.13568	12.2
325.10654	2.6
325.14154	5.5
326.11542	1.6
327.15857	10.7
337.14450	3.8
340.13089	4.5
341.13855	19.0
354.14847	1.5
355.15393	90.5
356.16147	76.7
357.16672	5.2
359.18512	9.8
387.18008	100.0
387.72430	1.2
388.18369	4.6
576.50220	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.5
52.63299	0.3
53.03938	0.7
55.01873	0.9
65.03941	1.4
67.05502	3.1
68.99792	2.7
69.03433	2.7
71.30035	0.7
73.02893	0.4
77.03906	0.8
79.05495	1.3
81.03413	2.0
83.04947	0.4
85.02909	0.5
91.05467	2.2
95.04977	4.5
97.02898	2.8
97.06529	0.3
105.03379	2.1
105.07027	0.8
107.04951	4.8
109.02879	0.5
111.00805	1.1
111.04439	2.4
115.05458	1.3
117.03395	0.4
119.04942	5.8
121.02879	0.7
123.04427	100.0
124.04729	2.1
125.06004	2.1
127.03909	2.9
128.61038	0.3
131.04930	0.5
133.02850	0.7
133.06563	0.5
135.04413	6.4
137.02339	0.9
137.05954	1.0
139.03899	18.8
140.04222	0.9
143.04884	0.6
147.04404	19.2
148.04732	0.7
149.02335	0.7
151.03902	52.4
152.04214	1.8
153.01788	0.7
153.05457	7.3
155.04871	0.5
159.04529	0.5
161.03465	1.2
161.04788	0.4
161.05952	1.9
163.03905	12.4
165.05476	14.7
166.05812	0.5
171.04396	2.9
173.02257	0.5
173.05901	0.5
175.03900	1.3
177.05511	0.7
179.03397	1.4
181.04958	39.7
182.05344	1.3
183.04427	1.0
187.03876	0.7
189.05472	9.2
189.09140	0.6
191.03349	0.4
199.03906	7.0
200.04494	0.7
201.05470	1.0
203.03394	2.0
205.04707	0.4
211.03821	0.5
213.05452	1.0
215.03383	1.5
217.04956	13.6
218.05199	0.5
219.09984	0.4
224.91153	0.4
227.03383	9.8
228.03868	0.7
229.04970	4.6
231.02876	0.7
233.04636	0.6
239.03394	1.9
241.04958	1.4
243.02876	1.4
245.04448	73.6
246.04776	3.0
247.05981	3.5
257.04434	4.5
258.05185	0.4
259.06024	1.1
269.04419	2.0
271.05981	1.9
275.05499	1.0
283.06085	0.4
287.05469	7.9
288.05847	0.6
289.06888	0.4
299.05414	1.3
301.06970	0.4
342.22757	0.4
351.04846	0.9
379.03497	0.7
379.08105	8.1
379.12906	0.5
380.08511	0.5
397.09180	13.2
398.09424	1.3
407.07724	2.6
409.09131	1.7
415.13712	0.8
425.08627	4.9
426.08728	0.4
433.09302	1.0
577.13092	1.4
577.22217	1.0
578.13989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1341
Annotation	Dehydrodicatechin A
Peak:m/z	Relative Intensity
54.64331	0.7
55.01854	1.7
59.24551	0.7
67.05470	2.5
68.99765	2.5
69.03396	2.9
69.23158	5.3
79.05502	1.5
81.03387	2.6
85.02888	1.0
91.05463	1.8
95.04973	4.7
97.02888	1.6
98.22609	0.7
103.05450	0.8
105.03353	1.0
105.07033	1.3
107.04948	4.3
109.90384	0.7
111.04420	1.7
115.05358	0.9
119.04975	3.3
121.02863	1.3
123.04434	83.3
124.04723	2.2
125.05943	2.2
127.03932	0.8
131.04846	1.1
133.06438	1.0
135.04445	3.8
137.02194	0.8
139.03909	10.4
147.04420	11.3
150.51619	0.7
151.03908	78.8
152.04204	2.5
153.05463	10.3
157.58795	0.7
159.04446	0.7
160.07550	0.8
161.05957	3.3
163.03920	13.8
164.04210	1.1
165.05486	9.0
171.04427	2.9
175.03894	0.7
179.03381	2.7
181.04959	45.2
182.05228	1.4
183.04446	0.9
189.05479	18.9
189.07179	1.1
190.05818	0.9
199.03925	7.6
201.05461	1.7
203.03455	1.7
213.05423	2.7
215.03430	6.0
216.04164	0.8
217.04974	31.2
218.05322	2.0
221.72261	0.8
227.03374	8.7
228.04111	1.1
229.04932	3.1
239.03445	1.0
241.04951	2.8
243.02843	2.1
243.06494	1.0
245.04457	100.0
246.04791	6.0
247.06116	1.4
256.58261	0.7
257.02115	1.0
257.04443	5.3
269.04471	1.4
287.05496	8.1
361.07184	2.5
363.08594	1.0
370.33951	0.7
379.08090	3.7
380.08304	0.9
385.07251	0.7
397.09229	8.1
407.07623	1.8
425.08664	88.5
426.08936	7.3
499.10248	0.7
577.13397	40.5
578.14056	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.7
57.03439	2.4
64.29568	1.3
67.05515	1.5
69.03426	2.2
69.07078	1.4
71.04987	8.1
71.28965	1.9
73.02917	7.7
79.05527	2.4
80.02911	1.3
81.03445	1.8
81.07053	1.7
85.02905	11.2
90.68150	1.0
91.05485	1.5
93.07065	2.1
95.08612	2.3
95.65693	1.3
97.02880	2.2
99.04418	1.4
100.11251	2.7
105.07036	3.0
107.08615	2.5
111.04475	2.5
117.06998	1.5
119.08604	2.3
121.02839	3.2
123.04422	7.2
127.03909	5.2
129.05486	2.4
135.04431	5.3
135.11662	1.3
137.05998	1.6
139.03932	1.8
151.04012	1.5
153.01807	2.8
161.09615	1.7
163.03943	2.6
165.01805	1.3
170.22031	1.2
185.13107	1.5
194.33778	1.3
201.05516	1.2
213.05400	1.5
245.04375	2.2
247.05984	2.1
257.07416	1.3
265.14285	1.3
287.05472	100.0
288.05826	5.5
299.05606	1.9
431.09665	1.9
433.10791	1.5
437.34445	1.5
445.05719	10.6
577.19977	3.6
577.28778	3.9
577.31482	4.1
577.40845	8.3
577.91650	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	80.6
57.07067	15.2
67.05505	30.2
71.08636	12.2
73.80037	8.7
74.93611	8.5
81.07059	42.3
83.04977	79.1
91.05473	16.4
93.07014	18.2
95.08600	24.2
98.22646	25.9
98.98478	11.2
107.18011	8.4
109.06534	12.7
125.45442	9.1
135.93689	8.2
137.06007	18.1
155.00920	12.1
156.07501	12.5
158.58418	11.7
171.08043	10.1
193.10101	13.3
196.08693	10.3
204.09221	13.9
205.10175	21.7
219.08031	13.7
233.09642	9.7
237.09126	11.4
247.11333	9.8
253.12093	10.8
257.13232	14.5
263.14346	8.9
273.09363	12.4
275.14349	18.8
282.26941	8.4
285.12500	14.3
289.12512	10.9
303.13843	18.1
401.17435	91.6
419.18378	12.6
431.18344	14.8
459.17694	14.8
477.19171	21.6
524.27112	14.5
557.91119	9.9
574.71393	9.3
576.51068	22.0
577.17908	100.0
578.18488	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2278
Annotation	Sphenadilactone A
Peak:m/z	Relative Intensity
53.03940	3.4
55.01869	5.2
57.69298	1.7
67.05490	3.3
69.03425	18.5
70.58123	3.1
70.58431	1.7
70.92286	1.5
77.03953	1.6
79.05486	16.0
80.80929	1.6
81.03403	1.8
81.07056	78.4
83.05003	2.1
85.02907	2.6
91.05476	19.4
93.07047	8.7
95.04967	8.8
95.08605	3.3
97.02888	4.7
97.06542	4.9
101.93574	1.6
103.05436	1.9
105.07034	15.4
107.04919	2.3
107.08593	4.8
109.06509	28.6
111.04444	5.3
111.08069	2.7
113.02364	3.4
115.05457	5.9
117.07007	12.1
119.04999	3.1
119.08565	9.3
121.06512	10.6
121.10128	1.7
123.04429	4.5
123.08023	3.5
125.05982	4.1
128.06201	8.9
128.20160	1.7
129.07011	20.0
131.04956	4.0
131.08546	17.9
133.06512	6.7
133.10161	6.0
135.04404	2.3
135.08075	6.4
137.05972	100.0
138.06334	3.2
139.07579	3.2
141.06984	14.2
142.07739	9.1
143.08554	26.4
145.06503	8.5
145.10069	8.9
146.07220	4.2
147.04327	2.3
147.08058	11.1
147.11661	2.8
149.05988	16.3
149.09621	6.0
151.07619	1.8
153.05862	1.5
153.07030	6.9
154.07768	11.2
155.08568	17.8
156.09348	3.3
157.06454	7.3
157.10117	12.8
158.07274	2.4
159.08087	14.8
159.11685	6.5
160.08792	3.2
161.05980	4.3
161.09592	10.2
163.07495	3.9
165.05676	1.9
165.07002	5.6
166.07782	4.8
167.07127	3.7
167.08565	9.0
168.05681	1.7
168.09286	2.4
169.06482	4.5
169.10135	17.8
170.07240	1.9
171.08014	18.2
171.11705	6.1
172.08789	5.9
173.09596	20.7
174.10281	2.4
175.07565	6.4
175.11205	15.4
176.08434	1.7
177.05522	1.8
177.09137	3.1
178.07837	3.6
178.09395	1.5
179.08524	8.3
180.09274	4.6
181.06433	3.8
181.10081	13.7
182.07228	3.0
182.10637	1.9
183.07999	12.6
183.11711	5.4
184.08702	2.0
185.06017	2.6
185.09618	20.3
186.06776	2.3
186.10373	16.8
187.07541	6.4
187.11177	22.2
188.08247	1.8
189.09129	20.8
191.08633	2.2
192.09396	3.8
193.08556	3.2
193.10178	6.1
194.10887	2.6
195.08130	4.5
195.11685	10.9
196.12274	1.8
197.09656	9.8
197.13295	4.4
198.10332	1.9
199.07556	6.4
199.11185	6.5
201.09138	11.1
201.12720	1.8
203.06996	4.9
203.08759	2.9
203.10667	5.7
205.08513	2.5
205.10236	3.0
205.12245	2.5
206.10934	3.2
207.08159	2.8
207.11789	7.5
208.08875	2.2
209.09634	5.7
209.13281	6.1
210.10225	1.9
211.07530	3.7
211.11151	7.9
212.08189	2.4
213.09013	8.1
213.12726	4.3
215.07117	3.0
215.10670	5.8
216.09401	3.1
217.08589	4.6
217.10361	3.0
217.12114	1.5
218.10904	2.2
219.06358	1.6
219.08232	3.4
219.09927	3.0
219.11697	5.9
220.08833	3.2
221.09674	4.4
221.13263	3.9
223.11150	11.3
225.09128	6.0
225.12737	5.7
227.07098	1.8
227.10721	3.5
229.08400	2.8
229.10387	2.9
229.12286	2.5
230.10960	2.3
231.10143	6.0
233.09637	5.1
233.13332	4.1
234.10333	2.5
235.11148	7.2
236.08380	1.7
236.11917	2.5
237.09111	3.7
237.12659	8.9
238.13467	2.5
239.10669	7.3
239.14172	3.7
241.12270	4.5
243.10173	5.6
245.09653	1.9
245.13336	2.4
247.11249	4.8
247.14697	1.8
249.08990	2.6
249.12892	7.8
249.16261	1.5
250.09882	2.4
251.10660	5.6
253.12268	9.7
254.12918	4.4
255.10068	2.1
255.13745	2.6
259.11313	2.4
259.14780	2.3
260.11929	2.7
261.10974	8.3
263.14334	2.6
265.12201	6.8
265.15976	2.1
266.12949	2.4
267.13867	4.5
269.11649	2.0
271.13437	2.6
275.14294	2.3
276.11292	2.1
277.12305	4.5
279.10355	1.8
279.13971	3.1
281.11673	2.6
283.13266	3.0
285.12894	2.1
291.13925	2.2
293.11890	2.5
295.13467	2.4
299.09106	4.0
303.10059	2.0
303.13571	2.8
305.15329	2.8
317.10410	2.4
333.14816	1.7
341.15329	2.2
358.14850	1.7
359.15909	1.8
363.15909	2.6
371.16196	3.0
373.18100	4.2
375.15076	1.9
385.18018	2.2
389.17221	2.3
391.19086	4.4
399.15628	3.8
401.17395	7.3
402.18234	1.7
403.18924	5.3
407.18375	6.8
409.20059	5.0
415.19287	3.3
417.16962	5.4
419.18637	34.3
420.19046	6.2
421.20102	12.2
429.16815	5.3
431.18573	9.8
433.20184	2.4
435.17920	6.4
437.19623	18.0
439.21033	4.4
441.17160	2.2
443.18463	3.4
447.18121	13.4
448.18747	3.0
449.19571	39.7
450.19882	3.5
451.21014	5.8
453.18872	5.0
459.18231	9.4
461.19431	10.0
465.19189	23.2
466.19421	4.3
467.20700	11.9
471.19897	5.4
475.17694	2.9
477.19119	19.4
478.19382	2.9
479.20517	8.1
483.19937	15.5
487.17459	9.0
493.18225	2.8
495.20096	33.0
496.20309	4.7
497.21216	3.1
501.21362	7.8
505.18588	24.6
506.19080	2.5
507.20898	2.1
513.21191	35.5
513.28748	2.6
514.21307	2.8
523.19659	28.5
525.20459	2.1
531.22632	3.8
541.20660	55.5
542.20996	8.3
543.22229	8.5
559.21802	7.9
560.21759	2.8
577.22577	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01872	3.2
55.05499	2.6
67.05499	4.3
69.03426	19.6
69.07053	2.0
70.50108	3.1
71.04995	1.8
72.06098	1.0
73.00751	1.3
76.42468	1.1
79.05489	17.3
81.07053	87.2
83.04972	2.5
85.02906	1.8
91.05477	18.4
93.07031	9.9
95.04962	9.9
95.08604	4.0
97.02901	5.0
97.06534	4.0
103.05467	2.9
105.04494	1.2
105.07034	15.8
105.17203	1.0
107.04966	2.9
107.08597	3.8
109.06516	29.7
111.04437	4.7
111.08070	3.6
113.02374	4.1
115.05424	6.4
116.06245	1.4
117.07005	15.0
119.04974	1.7
119.08567	8.1
121.06499	9.4
123.04438	2.9
123.08068	4.6
125.06000	4.8
128.06197	11.5
129.07010	21.4
130.07806	2.1
131.04961	3.8
131.08559	18.6
131.09454	1.4
133.06493	7.8
133.10118	5.6
135.04408	3.4
135.08060	8.1
137.02383	1.9
137.05972	100.0
138.06554	1.5
139.07564	3.7
141.06999	15.0
142.07761	10.7
143.08556	24.7
144.05672	1.4
145.06471	12.4
145.10107	11.2
146.07294	3.0
147.04471	1.3
147.08018	11.3
147.11708	2.4
149.05971	17.6
149.07050	1.4
149.09607	5.2
151.03925	1.8
151.07532	2.8
152.06212	2.5
153.05556	2.3
153.06978	6.1
154.07762	14.0
155.08543	18.5
156.09308	3.4
157.06512	6.9
157.10127	12.1
158.07297	4.8
158.10846	2.3
159.08035	18.4
159.11687	4.9
160.08838	1.7
161.05992	4.4
161.09602	8.8
163.07565	4.6
163.11240	1.9
165.05643	2.3
165.07027	9.7
165.09148	2.1
166.07854	6.0
167.07143	2.0
167.08557	11.2
168.09314	2.5
169.06517	3.6
169.10118	19.7
171.08025	14.8
171.11737	6.6
172.08815	6.0
173.06001	2.8
173.09622	15.8
173.13135	1.5
174.06825	1.5
174.10413	1.3
175.07542	9.4
175.11180	14.0
177.05449	1.8
177.09132	3.7
178.06311	1.4
178.07835	3.7
179.07022	3.2
179.08580	10.5
179.10199	1.3
179.10722	1.3
180.09306	3.4
181.06487	1.7
181.08586	2.0
181.10062	11.3
182.07283	2.1
183.08034	12.4
183.11711	5.2
184.08859	2.1
185.06041	2.3
185.09598	23.0
185.13319	2.0
186.06778	2.0
186.10390	16.8
187.07616	6.3
187.09601	2.3
187.11172	24.7
188.08324	1.3
188.11678	1.3
189.09076	24.1
190.07828	2.0
190.09586	1.4
191.06996	4.1
191.08621	1.9
191.10704	2.4
192.09329	4.3
193.04942	1.1
193.08562	3.3
193.10150	8.0
194.07407	1.9
194.10992	2.4
195.08022	4.1
195.11694	8.4
196.08810	2.6
197.09602	12.4
197.13228	4.3
198.10385	2.0
199.07613	5.8
199.11238	8.3
200.08232	1.7
201.09103	12.3
201.12523	1.7
202.09819	1.9
203.06967	6.1
203.08742	2.7
203.10524	7.1
204.09366	4.2
205.06755	1.2
205.08563	3.4
205.10187	4.1
205.12016	1.6
206.10870	3.8
207.08191	2.8
207.09959	1.8
207.11797	7.4
208.08859	1.9
208.12434	1.4
209.09700	6.7
209.13243	5.8
210.10306	2.7
211.07639	5.9
211.11180	8.1
211.14917	1.4
212.11942	1.9
213.09128	8.2
213.12759	4.0
215.07010	2.3
215.10532	7.5
216.09354	1.2
217.08434	5.5
217.10336	2.4
217.12167	2.4
218.10982	1.9
219.10095	4.1
219.11758	4.0
221.09647	5.2
221.13257	5.2
222.10371	2.7
223.07527	1.7
223.11177	9.9
224.08401	1.3
224.11937	3.0
225.09169	7.7
225.12640	8.0
226.09923	2.0
226.13406	1.5
227.06905	1.8
227.10678	4.5
227.14314	3.8
229.08557	3.6
229.12239	1.5
231.10179	5.6
231.12044	2.2
232.08841	2.7
232.12448	1.6
233.09601	4.4
233.13374	2.3
234.10376	3.4
235.11307	7.6
236.11818	2.6
237.09132	3.1
237.12770	7.2
239.10654	4.9
239.14325	2.6
241.08391	1.8
241.12282	5.8
243.09973	6.0
243.13832	1.8
245.13290	3.4
246.10374	2.1
247.11269	6.4
247.14926	2.3
248.11937	2.2
249.09114	2.5
249.12772	5.7
250.13379	1.5
251.10667	6.3
251.14333	2.4
252.11378	1.8
253.12253	7.5
254.13029	3.3
255.10092	1.5
255.13744	5.8
257.09708	1.4
259.11212	2.8
259.15039	1.7
260.11972	1.5
261.11017	8.3
263.10849	2.2
263.14267	3.1
264.11511	1.8
265.12268	8.6
265.15744	1.9
266.13043	2.7
267.10046	2.4
267.13815	4.2
269.11691	2.2
273.12946	2.7
275.10947	2.5
275.14267	3.6
276.11469	1.9
277.12228	4.3
277.15759	1.8
278.12802	1.4
281.11841	3.2
283.13257	5.7
284.14395	1.3
286.13589	1.5
287.14362	2.3
289.12204	1.7
289.15674	2.1
290.12674	1.5
293.11758	4.6
293.15161	2.4
295.13229	2.1
297.11975	1.2
299.09122	1.8
299.14053	2.0
303.10141	1.3
303.13742	2.8
303.17108	1.4
305.11728	1.4
305.15286	2.2
309.11392	1.4
311.12988	2.3
315.13574	1.5
317.10455	1.4
317.15207	1.5
319.13199	2.2
319.16827	1.5
320.13931	1.5
323.12952	1.9
327.13510	2.1
327.17487	1.4
329.14792	2.2
329.18997	1.6
331.13126	1.8
333.15030	2.0
339.12692	1.5
343.16916	1.8
345.18497	1.7
346.14325	1.6
347.16513	2.7
355.16931	1.9
357.13895	1.3
357.18451	1.6
359.16458	1.8
363.15805	1.7
371.16467	2.4
373.17987	3.7
375.15253	1.7
377.17468	2.0
379.19089	2.4
385.17783	2.3
387.19446	1.6
389.17261	4.2
391.14807	2.0
391.19193	2.5
397.17554	1.8
399.15982	2.9
401.17480	4.4
403.18958	3.7
407.18607	7.5
409.20169	5.7
413.17419	3.1
415.18887	2.4
417.16803	4.9
419.13885	1.9
419.18628	22.8
420.19165	4.2
421.15234	2.1
421.20151	10.0
429.17020	2.6
431.18484	10.9
433.20242	3.8
435.18011	9.5
436.18323	1.3
437.19614	16.6
439.21442	5.6
441.17050	2.8
443.18365	3.3
447.18088	11.7
448.18726	3.2
449.19580	33.8
451.21176	4.8
453.19046	5.0
455.20215	2.2
459.18063	7.5
461.19611	9.9
465.19058	17.4
466.19662	4.0
467.20688	11.2
469.17102	1.3
471.20242	6.0
477.19113	20.4
478.19366	2.4
479.20462	9.2
483.20126	18.7
485.22153	2.4
487.17575	7.3
493.18460	2.7
495.20108	32.3
496.20544	2.7
497.21436	4.3
501.21216	3.9
505.18564	18.9
506.18936	3.4
513.21155	40.3
514.21289	2.7
523.19611	28.3
524.19739	3.4
525.20905	3.3
531.22284	5.4
541.20660	59.1
542.20850	6.5
543.22473	8.8
559.21094	8.9
561.23578	1.8
577.22028	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.3
55.05497	2.5
65.03944	1.0
67.05515	7.9
69.03431	100.0
69.07082	2.9
70.03775	1.2
79.05486	10.5
81.07050	10.3
81.07371	0.9
83.04987	2.3
87.04472	7.1
91.05484	11.5
93.07047	13.4
95.04977	6.6
95.08607	24.4
95.25189	1.1
97.06521	4.4
98.22537	2.2
98.34750	1.2
99.04430	2.4
103.05482	2.1
105.07033	12.9
107.04947	5.7
107.08594	7.3
109.06518	12.5
111.04436	1.3
111.08096	7.7
113.06001	2.6
115.03920	6.0
115.05492	3.1
116.06249	1.6
117.07021	4.0
119.04948	2.5
119.08598	6.3
121.06499	7.9
121.10149	5.4
123.04407	1.6
123.08070	19.5
125.06020	1.5
125.09628	2.1
128.06221	5.6
129.07021	6.3
131.08559	11.1
133.06493	6.1
133.10159	2.4
135.08069	4.8
137.06003	4.6
137.09666	1.7
139.07544	91.1
140.07892	2.0
141.06998	4.9
142.07776	2.4
143.08543	9.5
144.05711	1.9
145.06496	7.7
145.10152	5.0
147.08057	7.4
149.05977	3.9
149.09634	5.9
151.07539	10.6
152.06169	1.2
153.05693	1.1
153.07027	3.9
154.07797	3.0
155.08543	24.0
156.09218	1.4
157.06491	4.6
157.10150	6.7
158.07246	1.6
159.08073	8.0
159.11693	2.2
161.06035	1.8
161.09607	3.6
163.07512	3.4
165.07025	4.6
165.09137	3.7
166.07756	2.1
167.07069	5.0
167.08578	6.4
169.10135	11.6
171.08058	19.6
171.11720	1.8
173.09630	7.5
175.07561	4.0
175.11244	2.0
177.09116	8.9
178.07848	3.2
179.08490	8.1
180.09305	3.3
181.06340	1.4
181.08684	2.0
181.10136	6.5
182.10979	1.4
183.08032	5.8
183.11758	3.3
185.09653	6.1
186.10277	1.2
187.07631	2.2
187.11197	4.2
189.09088	2.3
191.08577	3.6
192.09364	4.2
192.18727	1.2
193.08565	2.8
193.10165	10.0
194.10924	2.5
195.06641	6.3
195.08116	6.8
195.09915	1.8
195.11720	5.3
196.08720	3.6
196.12318	1.2
197.09599	6.7
199.07518	2.3
199.11229	2.6
201.09138	3.4
202.07869	1.7
203.08704	2.5
204.09346	2.8
205.10112	6.7
206.10941	5.4
207.08003	3.7
207.11719	6.6
208.08853	4.6
209.09650	11.4
209.13257	3.4
210.10466	1.4
211.07568	2.5
211.11218	6.7
212.08121	1.5
213.09143	2.7
213.12738	2.0
215.08649	3.5
215.10654	2.5
216.09406	3.8
217.10115	6.2
217.12067	1.6
218.10916	3.2
219.08057	2.4
219.11690	9.4
220.08734	1.3
220.12401	3.2
221.09744	5.8
221.13377	7.4
222.10324	2.8
223.07541	2.2
223.11119	7.3
224.11948	2.1
225.09161	2.2
225.12706	3.4
226.09978	1.3
227.10706	4.3
229.10266	2.4
229.12270	1.6
230.10901	6.6
231.11713	6.1
232.08861	2.6
232.12448	3.6
233.09607	5.2
233.13261	1.7
234.10387	3.2
235.11218	5.9
235.14774	3.9
236.11859	2.9
237.09070	2.4
237.12781	12.1
238.13492	2.0
239.10640	3.2
239.14268	3.2
241.10071	1.9
241.12268	4.3
243.11688	3.5
243.13954	1.6
244.12540	2.8
245.09528	2.8
245.13403	10.2
246.10423	2.4
246.13991	1.7
247.11256	10.4
247.14877	4.5
248.11937	1.9
249.09068	1.7
249.12830	6.4
249.16475	1.6
251.10710	4.0
251.14345	2.5
253.12245	2.9
255.13828	4.0
256.12485	2.9
258.10510	2.4
259.11084	2.4
259.14886	3.6
261.12625	4.5
261.16409	1.8
263.11261	1.7
263.14340	13.9
264.11417	1.7
264.14890	1.7
265.12250	13.5
265.15549	2.7
267.13812	3.8
269.13376	3.2
271.14722	3.5
272.12045	1.5
273.12802	13.6
273.16068	1.8
274.13330	2.3
275.10690	1.5
275.14194	3.5
277.12326	2.5
277.15771	2.5
279.13904	3.1
279.17465	2.8
281.15588	5.6
283.13116	8.8
285.12469	2.2
285.16428	1.7
287.10669	1.5
287.14175	6.5
289.12561	2.5
289.15897	7.8
290.12949	1.5
291.13931	15.8
292.14444	1.5
293.11774	2.3
299.13568	1.5
301.15637	1.5
302.12726	1.3
303.14029	1.5
303.17438	2.1
305.15329	5.3
305.18613	1.8
306.15982	1.6
307.13657	2.8
307.16934	9.7
309.14871	12.0
311.14148	3.4
311.17770	1.9
313.15952	2.5
315.13828	6.0
315.17346	2.8
325.14603	2.6
325.17999	5.8
329.15182	3.5
329.18970	3.6
331.16873	5.3
333.14825	11.0
333.18365	2.3
339.17230	2.5
343.16681	1.9
347.20020	5.0
351.15979	11.7
355.16904	2.3
357.18402	8.4
358.19083	1.4
359.16333	2.2
359.20361	2.7
361.17969	1.5
365.21228	1.3
367.17194	2.0
369.17050	12.1
370.17407	1.3
371.15924	1.5
371.20200	1.9
373.21597	1.5
375.15408	1.9
375.19598	19.8
376.19974	1.8
377.17215	1.5
377.21219	2.1
379.19220	1.6
381.18439	1.8
383.20230	1.3
385.17981	10.8
389.21442	1.4
393.20648	11.6
394.20862	1.7
399.19519	6.0
401.21027	3.0
403.19049	38.3
404.19263	3.6
411.21796	3.8
417.20523	7.3
419.22305	8.7
421.20087	96.5
422.20309	8.9
427.18732	4.2
435.21719	8.7
437.23767	5.7
439.21124	41.8
440.21506	3.2
445.20117	12.6
446.20349	2.3
453.22595	3.1
457.22247	6.4
463.21173	31.8
464.21570	4.6
475.23331	5.2
481.22253	36.9
482.22528	5.3
499.23230	19.1
517.24310	22.6
541.24054	1.7
543.22479	1.7
597.79034	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2769
Annotation	Scortechinone H
Peak:m/z	Relative Intensity
55.01860	0.4
55.05512	1.6
57.03415	0.4
57.07078	0.5
67.05513	1.8
69.02739	2.1
69.03162	1.2
69.07065	0.7
71.08618	0.6
76.95016	0.3
79.05498	1.5
81.03422	1.4
81.07055	2.2
83.04985	2.5
83.08610	0.7
85.02892	0.6
91.05488	2.1
93.07047	2.0
95.04986	1.3
95.08595	1.9
97.10149	0.3
98.23313	0.7
105.07002	1.7
107.08599	1.0
109.06548	0.5
109.10185	0.4
111.04467	0.9
111.08098	0.5
111.76904	0.3
117.07018	0.9
119.08552	2.0
121.10191	0.9
123.08135	0.4
128.06235	0.5
131.08563	1.0
133.02625	0.7
133.10129	0.9
135.08073	0.5
135.11740	0.6
143.08548	0.8
145.10133	1.0
147.11699	0.5
148.10616	0.3
155.08620	0.8
157.10146	0.7
159.11743	0.8
163.11215	0.4
169.10181	0.8
171.11702	0.9
173.09691	0.5
181.10233	0.4
183.11765	0.4
193.12189	0.4
197.13364	0.4
207.11800	0.4
211.11118	0.4
211.13217	0.6
221.13342	0.5
252.80830	0.5
267.13696	0.7
275.20056	0.5
293.21173	0.6
347.16214	0.5
363.19467	0.6
365.17249	2.9
425.19299	3.0
437.24423	1.7
455.25433	2.4
473.26495	0.4
481.23788	1.7
499.24438	4.3
517.25543	3.2
541.26129	0.7
559.26740	4.9
559.35101	0.7
577.27698	100.0
578.27997	12.2
578.37177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.8
57.07066	4.5
67.05500	11.9
69.07084	7.5
71.08636	2.6
78.04721	1.4
79.05497	6.3
81.03413	2.1
81.07064	14.1
83.08633	2.9
85.10123	1.5
88.81204	1.4
91.05495	10.8
93.06535	1.6
93.07021	8.5
94.23904	1.6
95.08614	12.2
98.22569	4.0
105.07034	22.4
107.04971	2.0
107.08610	9.3
109.10145	8.2
115.05474	2.0
117.07037	11.5
119.08584	10.8
121.06485	2.7
121.10149	3.3
123.04461	2.0
123.11716	5.7
128.06216	2.2
129.06999	4.4
130.07796	5.9
131.08577	11.9
133.10139	6.1
135.08102	2.5
137.05968	2.7
138.03119	1.6
143.08575	5.1
144.09386	2.7
145.10123	100.0
146.10474	1.9
147.08041	5.9
147.11691	5.4
153.05457	25.0
157.10109	2.3
159.11703	28.1
161.09703	1.8
161.13284	2.4
163.07608	1.7
167.07040	48.8
173.13261	3.4
175.11220	3.0
175.14856	4.6
181.08611	12.5
187.14879	2.1
191.10753	2.2
201.16402	26.9
202.17188	3.9
203.10754	2.7
203.17918	6.5
221.11774	4.1
223.13264	3.4
231.17467	6.1
233.11845	2.0
235.13327	12.6
241.12289	2.0
249.14922	3.1
377.19904	1.7
577.07745	3.2
577.35168	40.8
577.49298	7.5
578.35602	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98264	1.9
55.05514	4.7
57.07057	3.8
61.75170	2.2
67.05505	8.2
69.07084	6.6
69.59894	11.2
79.05488	4.5
79.21953	1.9
81.07054	17.6
82.55540	2.1
83.08614	3.8
91.05490	7.2
93.07045	10.7
95.08615	15.7
98.22675	4.2
105.07048	20.7
107.08582	10.3
109.10168	14.8
117.07047	3.1
119.08585	19.2
121.10144	6.6
123.11690	9.8
131.08566	3.0
133.10106	14.3
135.11699	4.8
143.08632	3.2
145.10149	9.5
147.11682	22.0
149.13307	5.4
153.05450	4.1
153.71205	1.9
158.07423	2.4
159.11748	4.4
161.13252	16.5
167.07025	15.0
173.05981	2.4
174.72371	2.4
175.11137	2.9
175.14853	4.6
181.08655	3.6
183.07933	2.4
189.09111	4.7
189.16385	6.2
200.04732	2.1
201.16269	5.0
203.10770	4.0
203.17946	77.4
204.18570	9.1
205.19527	2.6
211.07585	2.6
214.06207	3.9
219.10117	3.3
221.11697	23.5
227.10681	2.1
235.11209	3.0
235.13182	11.2
239.07028	4.0
241.05023	2.4
242.05725	3.6
249.09155	4.1
253.04942	5.5
257.08127	5.9
267.06784	2.9
270.05069	2.7
271.05923	4.3
271.09531	2.1
272.06699	4.3
273.07639	4.9
279.10239	3.6
281.11816	4.3
285.07526	14.6
286.08160	3.4
291.10037	3.2
299.09088	4.6
302.07867	3.3
303.08737	5.3
307.13541	2.3
309.11252	3.9
313.14426	4.6
313.27338	2.8
317.10443	4.8
323.12607	3.1
325.10638	3.6
326.11096	3.0
327.12305	3.6
327.15875	2.3
341.09683	4.7
341.13831	100.0
342.14557	13.9
355.15369	15.8
357.16757	5.5
369.16830	25.1
373.16446	51.9
374.16959	3.2
388.18350	2.6
395.18314	7.3
423.29123	3.2
425.19473	3.3
427.20816	2.6
506.39563	2.4
545.32477	3.6
577.35138	36.4
577.51404	2.1
578.35162	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.7
53.03943	6.7
55.01878	7.1
55.05511	42.1
57.03444	14.8
57.07067	2.4
59.04998	3.4
65.03932	4.5
66.00431	1.4
67.05503	91.1
69.03434	3.5
69.07068	33.4
71.04995	17.1
71.08647	1.7
71.31416	2.0
79.05492	73.7
79.30790	1.3
81.03412	21.6
81.07055	100.0
82.07418	1.4
83.04982	12.3
83.08618	23.3
85.06532	12.2
91.05478	67.5
92.05807	2.8
93.07042	73.3
95.04961	19.1
95.08606	66.5
95.09226	1.9
96.08929	1.9
97.06519	12.2
97.10172	18.2
97.46361	1.4
99.08105	4.4
103.05440	2.8
105.04532	1.9
105.07033	61.8
107.04964	4.1
107.08591	47.0
109.06487	7.7
109.10149	33.0
110.10473	1.6
111.08072	7.3
115.05470	3.4
117.07027	23.5
119.08578	48.6
121.06486	4.3
121.10143	32.3
123.08057	6.5
123.11707	10.2
125.09607	14.2
128.06212	3.9
129.07002	16.4
130.07790	1.8
131.08566	35.6
133.06488	1.9
133.10129	29.5
134.10489	1.6
135.08069	5.2
135.11693	18.6
137.09630	4.9
137.13277	4.2
139.11182	2.8
141.06979	2.6
142.07777	3.2
143.08548	15.9
145.06494	1.4
145.10115	34.5
147.08060	3.4
147.11679	24.5
149.09622	6.1
149.13246	8.9
151.11171	4.2
153.05484	1.7
153.12869	2.6
155.08554	7.4
157.10130	16.9
159.08102	1.6
159.11690	23.0
161.09602	3.2
161.13214	11.0
163.11177	3.4
163.14825	3.3
165.12772	4.1
167.07019	4.3
167.08421	2.3
167.10703	1.6
169.10150	9.9
171.11626	14.3
173.09680	3.0
173.11816	3.2
173.13173	12.3
175.11153	4.4
175.14854	8.2
177.12686	3.0
177.16476	1.4
181.10114	3.2
183.11681	7.1
185.13231	8.4
187.14807	8.9
189.11229	9.2
189.12737	2.1
189.16409	2.8
191.14334	1.8
193.10388	2.2
193.12251	9.7
195.11713	3.3
195.13799	3.5
196.12447	1.5
197.13287	6.5
199.13240	3.5
199.14877	5.3
201.12924	1.7
201.16432	6.5
205.15778	1.9
209.13310	3.1
211.13072	2.3
211.14832	4.5
213.16475	3.4
215.18019	1.4
219.17461	1.5
223.14914	3.0
225.16501	2.4
227.12796	14.8
229.14160	2.6
235.14905	2.3
235.16978	2.5
239.16382	2.4
240.85069	1.4
241.19591	3.1
243.21021	3.5
249.14514	1.7
257.19159	2.2
259.20660	3.7
261.18872	1.5
261.22174	8.1
267.15881	21.9
275.20029	2.2
277.21729	1.9
285.22052	2.7
287.20221	3.1
287.23688	4.1
289.21582	4.8
299.23679	2.8
301.20032	1.9
301.25208	10.4
303.23300	3.4
305.24960	1.5
311.23657	2.7
313.21661	1.4
315.23276	2.1
317.24509	3.2
327.23273	2.4
333.24258	3.0
335.25839	17.6
336.26050	1.5
337.75201	1.6
341.24841	1.7
357.27966	1.8
359.25812	4.8
363.25153	5.7
367.25919	1.5
417.26276	2.7
417.31512	3.8
435.27206	3.7
435.32581	17.9
449.29193	1.9
453.33484	13.8
471.34802	8.5
501.35767	2.4
509.36066	4.9
519.36389	2.3
527.37341	52.7
528.37427	4.3
545.38379	38.1
546.38684	5.6
559.40198	8.2
577.42200	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59446	0.8
57.03431	1.9
63.06289	0.9
67.05512	2.2
68.66769	0.9
68.99775	0.9
69.03410	1.4
69.07260	7.0
79.05511	2.4
81.07053	3.0
82.54514	0.9
83.42931	0.9
83.48271	0.9
85.36396	1.0
91.05486	3.1
93.07037	3.7
94.94117	1.1
95.04971	1.8
95.08590	2.5
97.06534	1.6
98.22604	1.5
105.07002	4.7
107.04965	1.4
107.08595	3.2
109.06521	2.3
109.10139	1.2
111.08068	1.5
117.07031	4.0
119.04939	1.0
119.08578	4.1
121.06476	3.7
121.10182	1.8
123.08057	6.8
125.06011	1.7
128.06206	1.3
129.06993	3.9
131.08623	4.7
133.06549	1.0
133.10136	3.7
135.08081	3.2
137.05965	2.3
139.07452	1.4
142.07831	1.4
143.08562	4.1
145.06505	1.6
145.10120	4.3
147.08063	4.1
147.11682	1.3
149.05956	2.1
149.09634	2.6
151.07518	2.3
155.08545	4.0
156.09329	1.4
157.06488	1.3
157.10150	6.1
159.08047	4.2
159.11696	5.3
161.05988	1.9
161.09579	6.6
163.11197	1.4
167.08578	1.4
168.09334	2.0
169.08746	1.0
169.10088	4.7
171.08154	4.5
171.11646	1.7
172.08797	1.2
173.09630	3.6
175.07574	2.0
175.11171	3.1
177.05368	1.3
177.09102	1.7
181.10143	2.9
183.08110	1.8
183.11676	3.9
185.09636	5.5
186.10475	1.1
187.07521	1.6
187.11198	3.6
189.09123	4.1
191.10699	1.7
195.11702	1.8
197.09578	1.9
199.07585	1.1
199.11205	3.5
201.09044	2.9
201.12747	4.2
203.10623	1.5
205.08777	1.2
209.09639	1.5
209.13347	1.2
211.11125	1.5
213.09042	1.4
213.12631	1.5
215.10681	1.2
219.10124	1.6
220.68823	1.1
225.12697	1.6
227.10657	1.4
237.12787	2.0
239.14403	1.1
241.12126	1.5
245.11562	2.2
265.12253	1.2
269.15591	1.2
277.15799	1.9
333.18240	1.0
337.17953	1.7
351.19501	1.2
377.17673	1.4
379.19138	5.0
393.20468	1.4
395.05786	1.0
405.16748	2.0
407.18399	2.5
409.23868	1.4
417.20612	1.0
423.17831	1.4
425.18951	1.4
427.24542	1.1
435.21616	2.9
436.22388	1.0
451.17310	2.0
453.22720	8.8
455.24368	13.1
456.24548	2.1
461.19687	1.3
463.21136	2.0
469.18347	1.1
471.23938	1.1
479.20551	2.3
481.22354	3.2
487.19650	32.1
488.19861	4.4
497.22040	5.9
499.23300	21.0
500.23639	2.7
515.22797	1.7
517.24103	3.9
525.21124	6.0
526.21680	1.5
543.22253	100.0
544.22571	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05429	1.4
67.05511	1.9
69.03433	5.6
70.16908	5.3
70.67757	1.4
70.92633	1.7
71.57448	1.5
79.05509	14.1
79.99600	1.3
81.07060	61.1
85.00709	1.6
89.70136	1.4
91.05476	9.7
93.07058	4.8
95.04977	7.3
97.06527	4.0
98.23248	2.3
105.07046	5.6
107.04987	4.1
109.06521	21.9
111.04444	2.7
111.08096	2.7
115.05481	2.8
117.07065	8.4
119.04938	1.9
119.08579	4.9
121.06498	4.0
128.06242	5.5
129.06996	14.8
131.08591	10.5
133.06514	11.2
133.10098	1.7
135.08060	1.9
137.05983	88.8
137.09668	1.6
138.06345	2.3
139.07535	2.9
141.06995	4.6
142.07782	4.6
143.08611	12.1
145.06496	15.9
145.10124	11.6
146.07275	2.4
147.07999	7.5
149.05968	3.2
149.09636	2.5
153.05522	4.0
153.06961	1.6
154.07782	3.0
155.08574	8.1
157.06483	3.2
157.10139	7.3
159.08064	18.2
159.11664	3.2
161.05980	2.4
161.09639	7.5
163.07568	2.6
165.05589	2.3
165.06926	2.7
167.07059	2.3
167.08586	3.8
169.10129	7.2
171.08047	8.6
171.11708	2.4
172.08836	2.7
173.09634	52.1
174.10226	2.2
175.07565	3.3
175.11244	4.2
179.08597	2.7
181.10130	5.9
183.08067	3.0
185.09592	13.6
187.07599	4.9
187.11186	49.7
188.11656	3.2
189.09143	5.9
189.12833	6.6
191.06929	2.0
193.10126	2.7
195.08095	2.2
195.11752	2.1
197.09552	4.6
198.10423	2.1
199.11168	8.5
201.09164	2.9
201.12744	3.0
203.10600	4.1
205.08603	3.8
207.11711	2.1
209.09576	4.7
211.07477	2.6
211.11052	2.5
213.09100	2.9
213.12807	3.8
215.10681	5.8
215.61578	1.7
217.08522	3.9
217.12212	3.0
220.08966	2.0
221.09813	2.0
223.11200	8.2
224.11852	2.6
225.12857	4.0
227.10641	7.7
233.09665	1.6
233.11685	24.8
233.13646	2.3
235.11191	4.0
237.09125	3.7
237.12805	6.2
239.10692	3.1
239.14331	1.9
241.12183	3.5
243.10242	2.9
245.11722	4.3
247.11099	2.0
249.09180	2.7
249.12758	2.9
250.09904	2.9
251.10674	8.5
252.11314	3.1
253.12180	4.7
254.13026	2.0
255.13840	2.9
264.11627	1.9
265.12363	4.2
266.12897	3.2
267.13712	4.0
269.11743	3.2
271.13263	2.0
277.12357	3.8
279.13928	3.2
281.11798	2.0
283.13300	2.7
284.14056	5.2
295.13290	2.6
299.13031	2.3
311.12778	2.0
329.14096	2.3
389.17004	5.5
391.18866	2.5
403.18832	3.7
407.18527	27.4
417.16876	11.1
419.18524	5.7
421.20160	21.6
422.20297	2.3
431.18640	15.5
435.17847	37.2
436.18277	3.7
437.19571	5.9
443.18362	2.0
444.17969	1.8
447.17770	5.9
449.19788	14.2
451.20877	2.2
453.19098	52.4
454.19409	4.3
459.18369	2.7
461.19431	5.0
463.21121	6.3
465.19135	8.9
467.20670	40.3
468.20956	2.8
471.20392	9.5
477.19046	19.1
478.18958	2.1
479.20529	11.7
481.22598	2.2
483.20016	4.7
489.18973	5.6
495.20084	20.8
497.21600	6.3
507.20026	17.7
511.30396	1.7
513.20886	10.5
525.21222	100.0
526.21844	10.9
543.22266	17.0
561.23383	13.3
562.23212	3.4
578.25970	39.2
579.26410	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.01876	3.8
55.05503	1.6
63.81753	1.3
67.05500	3.8
67.29396	1.2
69.03420	7.1
69.03968	5.0
69.04385	7.7
79.05494	16.3
81.07060	74.8
82.18482	1.4
83.04987	2.4
85.02897	1.6
87.19912	1.4
87.50961	1.4
91.05488	14.2
93.07053	5.8
95.04972	4.5
95.08604	4.4
97.02904	4.8
97.06527	10.2
98.22633	2.9
103.05444	2.0
105.07034	12.5
107.04955	3.7
107.08585	3.1
109.06520	25.6
111.04437	5.7
111.08064	2.8
113.02320	1.5
115.05450	4.0
117.07037	11.3
119.08540	6.4
121.06509	5.6
123.04388	1.9
123.08066	2.5
125.05991	1.6
128.06198	9.3
129.07004	11.6
131.04915	3.8
131.08557	17.1
133.06528	4.0
133.10130	4.0
135.04410	2.1
135.08061	4.4
137.05977	100.0
138.06306	1.7
139.07523	4.0
140.67340	1.5
141.07039	8.7
142.07777	6.1
143.08568	28.1
144.09077	1.8
145.06493	5.8
145.10138	5.0
147.08017	6.8
147.11690	1.9
149.06013	3.1
149.09616	3.0
151.07507	2.1
153.05466	5.2
153.06996	3.4
154.07780	5.9
155.08571	11.6
156.09334	4.0
157.06506	4.2
157.10132	8.1
158.07298	2.2
159.08046	17.8
159.11720	4.8
160.08748	2.4
161.09615	9.1
161.13266	1.8
161.27989	1.4
163.07573	3.1
165.05624	1.9
165.07050	4.6
166.07745	4.2
167.07213	2.0
167.08574	5.4
168.09358	4.5
169.06500	3.6
169.10097	11.5
170.07228	1.4
171.08049	4.5
171.11674	8.9
173.09573	7.3
174.06677	1.4
175.07564	1.9
177.05473	2.0
177.09167	2.9
178.07739	2.4
179.08569	2.7
180.09305	1.7
181.10088	10.2
183.08055	3.7
183.11685	4.9
184.08876	2.4
185.09621	8.7
186.10341	2.6
187.07532	5.6
187.11188	15.1
188.11937	3.4
189.09102	5.3
189.12729	4.7
192.09337	1.4
193.08467	1.6
193.10147	4.5
195.08028	2.6
195.11716	2.8
197.09641	3.3
197.13300	1.8
199.07565	5.2
199.11227	9.0
201.09164	2.9
201.12727	7.6
203.08710	1.8
203.10593	3.4
205.08537	2.2
205.10207	2.3
206.10976	3.2
207.11789	2.2
209.09633	5.5
209.13333	2.0
210.10326	2.1
211.11182	3.7
213.09138	4.5
215.10623	2.7
217.12216	3.3
218.11046	1.7
219.07983	1.8
219.11746	2.0
220.08803	1.4
221.09602	2.5
221.13170	3.3
223.11195	4.2
223.14807	2.1
225.09100	1.4
225.12737	3.1
226.09941	1.4
227.10657	13.3
232.08844	1.7
233.09700	1.7
233.13246	2.0
234.10417	2.4
235.11382	3.2
237.09138	3.3
237.12802	5.5
239.10696	2.0
239.14275	2.6
245.11642	6.7
246.10286	1.4
247.11021	2.1
249.09070	1.7
249.12755	5.1
250.13596	2.6
251.10742	2.3
251.14401	2.8
253.12065	1.8
259.11270	2.2
261.12793	3.2
263.10623	3.3
265.12311	5.0
267.13831	5.7
268.14429	3.1
269.15274	1.9
277.12213	4.3
279.13782	4.7
280.14407	1.6
289.12222	1.6
295.13324	2.7
296.13959	2.4
297.14789	2.0
305.11884	1.3
307.13464	1.9
359.15018	4.2
361.16840	1.7
377.21274	1.5
389.16068	2.1
403.19519	2.0
405.20532	2.1
415.19116	5.6
417.20535	2.0
419.18671	1.5
421.20129	12.8
423.21796	6.5
431.18365	3.7
433.20203	12.9
435.21454	5.8
443.18539	3.8
445.20081	3.2
449.19443	9.0
451.21182	32.6
452.21588	3.4
461.19608	14.5
463.21304	6.5
467.20630	14.3
468.20972	1.5
469.22211	27.0
471.18069	4.7
479.20801	14.5
481.22266	8.3
489.18909	8.6
497.21722	33.2
498.22421	2.3
499.23102	4.1
507.20215	14.5
525.21222	75.9
526.21747	3.2
543.22180	12.3
561.23322	12.4
578.26025	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.0
57.03439	6.8
59.04999	6.7
66.93825	2.9
67.05505	5.4
69.03439	12.9
69.21780	3.0
69.22087	26.4
74.94206	3.4
79.05492	19.7
80.99297	3.1
81.07058	85.3
83.05007	5.5
91.05508	10.5
93.07050	8.2
95.04973	7.5
95.08627	10.3
97.06546	5.8
98.63852	3.1
105.07026	16.1
106.17921	3.1
107.08609	4.0
109.06523	32.4
111.08111	6.4
117.07011	9.6
119.08585	6.4
121.06544	7.1
121.10109	3.9
123.08049	15.8
126.29290	3.9
128.06245	6.6
129.06999	8.8
129.24910	3.3
131.04868	3.6
131.08571	13.8
133.00386	3.6
133.06512	7.2
133.10149	5.9
135.08054	8.1
137.05977	100.0
137.07043	5.1
138.06374	3.1
139.07515	5.2
141.07011	9.4
143.08574	20.3
145.06558	9.9
145.10109	8.6
147.08084	10.4
149.06017	7.2
151.07559	3.7
151.11324	3.4
153.05501	7.2
155.08566	11.0
157.06502	6.4
157.10164	9.5
158.07324	3.3
159.08061	18.8
159.11674	4.3
161.09660	17.0
163.07512	3.7
163.11259	4.0
167.07062	6.7
167.08469	7.3
169.06569	4.3
169.10205	8.0
171.08066	11.4
172.08772	3.8
173.06020	4.1
173.09717	15.4
175.07620	5.5
175.11176	5.5
177.05397	3.9
177.09129	7.2
181.10101	9.1
182.26993	3.2
183.08046	5.0
183.11667	9.2
185.09659	14.9
187.07582	6.9
187.11115	16.4
189.09158	12.7
191.10727	3.8
195.08029	3.9
195.11707	4.5
197.09673	10.8
199.07578	5.9
199.11238	12.6
201.09142	7.0
201.12859	5.6
209.09673	10.9
209.13260	4.7
213.09230	5.4
213.12746	4.8
219.06551	4.2
225.09093	7.2
225.12761	6.4
227.10681	7.0
229.12178	5.2
235.11198	4.9
237.12785	7.9
239.10698	5.3
239.14380	5.1
241.08640	5.5
243.10104	5.0
249.12723	7.2
251.10667	7.3
251.14459	3.6
253.12376	4.6
255.13919	4.1
265.12085	4.1
267.13843	8.5
285.14969	8.2
307.13342	4.5
311.12720	7.1
313.14536	5.0
315.15900	13.8
337.17816	6.0
347.16302	9.3
349.18027	4.0
363.15982	6.0
365.17484	11.2
375.15839	8.2
377.17349	3.8
393.16898	10.5
403.19235	8.1
405.20596	6.1
407.16986	4.8
411.17972	11.4
421.20038	13.4
423.22076	6.7
431.18750	10.2
433.20023	9.9
439.17053	15.4
449.19907	26.3
451.21140	13.9
453.22766	3.7
461.19452	10.0
463.21246	5.2
467.20935	30.3
469.22733	7.0
477.19009	11.5
479.20663	24.6
481.22385	24.6
485.21732	9.7
487.19687	83.1
488.19678	6.9
489.18961	13.1
495.20297	38.6
496.20316	5.4
497.22018	17.6
499.23279	7.1
507.20071	32.1
508.20358	5.7
513.21198	65.7
514.21478	9.3
515.22681	10.0
517.24396	50.9
518.24854	7.7
525.21259	80.3
526.21466	12.2
543.22247	61.2
544.22650	7.7
561.23291	9.1
563.53967	4.4
578.25702	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74733	1.0
53.03946	1.1
55.05513	1.4
69.03423	4.5
70.46329	2.2
79.05492	1.9
81.07056	5.2
83.01315	1.0
91.05473	3.5
93.07034	2.7
95.04932	1.3
97.06541	1.4
103.05482	1.2
105.07022	3.3
105.21999	1.0
107.08596	2.9
109.06505	5.1
111.08117	3.1
117.07046	2.4
119.08572	3.5
121.06507	3.7
123.08079	5.2
129.07016	1.8
131.04936	2.7
131.08585	3.3
133.06514	1.3
133.10109	2.8
135.08080	2.1
137.05983	5.4
139.07530	3.0
143.08585	4.0
145.06511	3.3
145.10133	4.8
145.57693	1.2
147.08032	5.5
147.11684	1.3
149.05968	2.2
149.09599	2.8
151.07590	1.2
153.05444	2.9
155.08594	1.9
157.10121	2.4
159.08055	4.9
159.11658	2.2
161.09601	5.5
163.07549	1.7
163.11195	1.9
167.07079	6.1
167.08340	1.7
169.10136	1.8
171.08080	3.1
172.08882	1.4
173.09538	7.1
175.07594	3.3
175.11177	3.6
177.09128	2.0
179.08479	1.5
181.10074	2.4
183.08098	2.0
185.09615	4.9
187.07524	1.6
187.11194	12.3
189.09116	2.1
191.07005	2.0
191.10699	1.4
195.11655	1.3
197.09621	2.1
197.47920	1.3
199.11215	2.5
201.09117	2.1
203.10663	3.0
204.11520	1.2
209.09613	2.1
209.13327	1.2
211.07625	1.2
211.11206	1.6
213.09096	2.1
213.12683	2.4
215.10713	2.9
219.06534	8.5
219.10170	3.0
221.09605	1.4
223.07492	1.2
223.11218	2.0
225.09277	1.6
225.12764	1.7
227.10562	1.6
231.10086	1.8
239.10681	1.4
239.14235	1.4
241.08574	1.3
241.12280	1.6
243.10231	1.7
247.09583	2.5
249.12746	1.5
251.10838	2.0
253.12186	2.1
255.13953	2.3
257.11523	1.8
265.12247	1.8
267.13782	2.7
269.11682	1.3
277.12119	1.4
277.16077	2.2
283.13260	1.3
287.12994	1.3
291.13840	1.6
293.15060	1.5
295.17044	1.8
303.12363	2.6
305.15262	2.0
309.14856	1.9
311.12808	1.7
313.14343	1.5
323.16544	2.9
333.14838	1.7
336.50964	1.4
337.17960	1.3
347.16415	1.5
351.15619	1.8
365.17490	2.7
375.19485	2.4
377.21295	1.6
393.16693	3.8
395.22314	6.1
403.19043	4.9
405.20535	3.2
411.17938	1.9
421.20386	13.8
422.20554	2.7
423.21991	8.5
431.18527	4.1
433.20401	2.3
439.16632	1.7
441.22638	2.4
449.19681	14.1
451.20975	4.1
457.22568	1.3
461.19760	1.2
463.20865	2.9
467.20660	40.1
468.20844	4.5
469.22272	3.6
477.19171	5.5
479.20438	2.2
481.22150	3.7
485.21588	3.7
495.20160	47.3
495.27408	2.7
496.20227	4.1
507.20023	8.6
513.21204	100.0
514.21631	10.6
517.24243	13.2
525.21204	14.1
543.22119	8.7
561.23090	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.5
65.51398	1.2
67.05518	1.2
69.03037	3.1
69.03446	11.3
69.63728	1.0
79.05495	3.4
81.07067	13.0
83.01340	1.4
83.04967	1.8
91.05504	3.7
93.07026	3.0
95.04974	2.5
95.08636	2.8
97.06541	2.3
101.01764	1.1
105.07039	6.5
107.08591	3.6
109.06536	9.4
117.07014	2.5
119.04946	1.2
119.08605	3.4
121.06536	2.8
123.04483	1.7
123.08057	2.8
128.06140	1.1
129.06998	4.6
131.08594	5.4
133.06485	2.2
133.10123	2.8
135.08063	3.1
137.05992	12.4
141.06931	1.7
142.07838	1.6
143.08591	5.5
145.06471	3.4
145.10130	5.1
147.08066	5.9
151.07506	2.1
154.07805	2.2
155.08554	5.2
157.06479	1.3
157.10135	4.5
158.07382	1.6
159.08047	5.8
159.11707	3.4
161.09625	4.3
163.07518	1.8
167.08559	2.3
169.10121	4.5
171.08086	3.7
171.11736	1.4
172.08867	1.7
173.09651	7.8
175.07571	1.9
175.11192	2.2
177.09097	2.0
181.10109	2.4
185.09558	6.5
187.11157	5.9
189.09122	5.2
191.07021	1.7
193.10149	1.4
195.08009	1.7
195.11726	2.9
197.09576	2.6
199.11154	1.9
201.09103	1.9
205.08562	1.5
209.09680	2.0
209.13234	3.4
211.07457	1.9
211.11192	2.3
213.09067	2.1
213.12619	1.9
215.10724	1.6
219.11768	1.6
222.10323	1.6
223.11136	1.5
225.09193	1.4
225.12645	2.2
227.10606	1.9
227.14313	3.0
229.08464	1.4
237.12784	3.2
239.10674	1.2
247.11218	2.3
248.08507	1.3
251.10754	2.1
253.12114	2.3
254.13107	1.3
255.13884	7.0
265.12134	1.8
267.13898	1.3
273.14783	2.3
283.13275	1.6
307.13272	1.6
319.16934	1.4
391.19125	1.9
393.20383	1.8
401.17651	1.6
403.19083	1.7
409.16159	1.8
417.16733	3.5
419.18488	4.5
421.20111	3.5
427.17166	5.8
429.16956	1.8
431.18649	2.2
433.20410	1.7
435.18134	4.0
437.19717	6.6
439.21075	7.2
447.17966	3.3
449.19699	1.5
453.19009	2.6
455.20508	16.9
457.22214	18.9
458.22571	2.7
465.19131	7.3
467.20508	4.2
477.18796	6.6
479.20471	1.4
481.22452	1.7
483.20087	14.6
484.20419	1.7
489.18927	3.5
495.20038	6.3
497.21738	2.9
501.21213	100.0
502.21530	12.4
507.20099	9.8
525.21228	22.3
526.21606	2.1
543.22296	45.7
544.22491	5.0
561.22748	3.5
578.20514	10.3
579.21906	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.3
57.48682	2.9
67.05505	8.6
69.03436	6.4
69.07061	4.9
69.62780	6.8
69.63175	6.7
71.05000	3.6
73.34795	2.8
79.05507	18.8
81.03407	3.3
81.07056	29.8
83.04982	13.8
87.79707	3.1
91.05482	38.8
92.05786	3.2
93.07059	16.9
95.04971	11.8
95.08601	13.0
97.02905	15.6
97.06600	3.0
98.23296	4.1
99.04443	10.2
105.07036	18.7
107.08591	27.3
107.91220	3.2
109.02915	3.6
109.06541	20.4
111.04448	11.7
111.08086	6.8
115.05443	14.1
117.07018	30.9
119.04948	3.6
119.08580	33.7
121.06517	6.7
121.10133	3.6
123.08055	8.9
128.06215	5.2
129.07022	9.2
131.08568	12.9
133.10104	9.9
135.08054	29.0
137.05983	16.4
139.07550	5.0
141.06966	4.0
142.07889	4.7
143.08553	14.8
145.06490	95.4
145.10161	19.2
146.06900	3.3
147.08061	50.5
147.11702	4.8
149.09605	3.7
155.08528	14.0
157.10123	11.8
159.08022	5.2
159.11681	11.7
161.09663	9.3
163.07544	45.0
167.08560	5.1
169.10161	11.1
171.08084	5.5
171.11765	11.1
173.05933	15.9
173.09624	8.2
173.13289	4.4
175.11212	6.1
179.08585	6.8
181.10098	6.9
183.11722	13.3
185.09631	6.9
185.13266	6.7
187.11186	12.3
189.09135	7.7
191.07034	18.0
193.10164	6.0
194.10924	3.4
195.11690	9.8
197.09549	6.6
197.13348	5.0
199.11134	6.2
201.09203	4.5
201.12831	5.0
203.10732	8.2
206.10773	5.0
207.11729	4.1
209.08012	28.3
209.09740	3.6
209.13295	9.2
211.11234	8.0
211.14847	10.9
213.09071	3.8
213.12744	4.7
215.10753	4.1
219.11768	5.5
220.12567	4.0
223.11191	6.6
225.12825	4.3
229.15868	16.7
233.13414	4.1
235.14870	7.3
237.12709	3.2
237.16304	4.7
239.14253	7.4
247.14709	4.6
255.13893	3.5
257.15396	37.3
263.17865	3.9
265.15857	7.3
273.12463	3.5
293.18802	3.8
311.19724	4.0
321.18558	5.3
339.19562	7.5
349.18030	4.1
357.20660	6.0
367.19055	10.2
385.20148	3.3
401.21500	3.8
409.23453	4.9
419.22159	12.0
423.21631	4.5
429.20609	4.9
435.21771	8.8
437.23398	14.8
447.21786	18.3
453.22720	5.0
455.24234	26.2
465.22729	100.0
466.23105	12.0
479.20700	11.2
481.22198	12.5
483.23819	65.8
484.24432	5.6
497.21576	5.5
499.23502	32.3
507.19675	3.6
515.22620	14.0
525.21136	10.5
543.25256	33.5
544.23016	3.7
561.22778	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.6
53.03937	1.0
74.09721	5.0
81.07058	0.4
95.04955	1.3
98.23396	1.3
102.24592	0.4
103.05468	35.0
104.05784	0.7
105.04495	0.5
109.10155	0.4
126.39352	0.4
131.04926	100.0
132.05276	2.6
145.10135	0.4
218.43787	0.4
315.06604	0.4
355.15143	0.6
399.17990	0.5
420.38040	0.5
578.27795	1.2
578.36542	0.5
578.46844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.05512	13.0
67.05502	2.5
69.07071	1.1
69.26986	5.2
79.05502	2.7
81.03436	1.4
81.07054	3.0
83.04983	100.0
84.05312	1.3
91.05497	3.3
93.07059	3.7
95.04967	1.2
95.08599	6.3
97.06551	1.4
99.89165	0.7
105.07047	3.1
107.08601	3.0
109.06503	1.1
111.04451	0.7
111.06223	0.6
111.08068	1.3
117.07003	1.4
117.39044	0.6
119.08582	4.6
121.10170	1.7
123.08094	1.0
123.11693	0.6
129.07002	1.1
131.08597	2.3
133.10130	2.5
135.11723	1.3
143.08549	3.5
145.06483	0.7
145.10158	2.0
147.11711	1.9
149.09688	1.0
155.00880	0.9
155.08595	1.0
155.66617	0.7
157.10109	5.0
159.08072	1.0
159.11694	3.3
161.09612	3.7
163.11206	1.1
167.08549	0.7
169.10147	2.1
171.08058	0.7
171.11719	2.1
173.09659	1.3
173.13260	1.2
183.11716	5.2
185.09598	0.8
185.13295	5.3
187.11230	1.1
187.14813	1.3
189.12808	0.9
195.11743	1.3
196.12350	0.8
197.13213	1.2
199.11331	0.9
199.14886	1.6
201.12769	3.0
209.13301	1.5
210.13707	0.8
211.11189	2.0
211.14813	1.8
213.12794	2.7
213.16389	1.3
223.14874	1.2
225.12833	1.3
227.14363	1.7
229.12337	1.0
231.13887	0.8
239.14394	1.1
239.18094	1.9
249.16463	1.0
251.17766	0.8
267.17563	3.6
276.12939	0.7
279.21066	0.8
289.19391	0.8
299.20013	0.8
307.20856	0.9
323.20108	1.8
325.21765	4.9
341.21115	1.8
351.19702	3.2
367.22980	1.2
369.20581	5.9
379.26288	7.5
381.24268	1.4
389.24823	2.4
407.25809	61.1
407.62350	0.7
408.26151	5.2
425.26877	15.8
426.27237	1.6
440.57141	0.8
473.42963	0.7
578.26160	1.8
578.37292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.01888	3.0
55.05508	20.7
57.07076	6.6
65.03925	5.0
67.05503	30.0
69.03407	5.2
69.07072	16.5
69.10522	11.0
69.10957	10.2
71.04967	5.6
79.05489	20.7
81.03413	3.3
81.07060	50.4
83.04974	11.9
83.08607	7.2
91.05461	21.5
93.07039	37.2
95.04971	10.5
95.08602	100.0
97.06464	4.3
97.10153	6.1
99.04475	5.3
105.06384	2.9
105.07038	33.8
107.08597	41.0
109.06517	91.1
109.10168	41.7
111.04440	13.9
111.08096	11.4
113.06033	4.7
113.09616	6.6
117.05500	3.9
117.07014	8.5
119.08581	34.2
121.06483	5.9
121.10158	25.1
123.08038	7.4
123.11723	7.6
125.05987	3.4
127.07537	4.0
127.77888	2.8
129.06993	8.3
131.08588	25.0
133.06535	3.2
133.10129	28.1
135.08029	5.2
135.11665	10.3
137.05969	21.7
137.13306	4.6
139.07523	10.2
141.06987	2.9
141.09081	6.5
142.07767	7.0
143.08574	20.0
144.09285	2.9
145.10136	39.8
147.08089	6.5
147.11700	16.8
149.13242	6.6
151.11182	3.2
155.07024	45.1
155.08519	9.6
156.09306	6.7
157.10098	23.2
159.06578	6.7
159.07980	6.1
159.11678	28.5
161.09657	14.6
161.13272	14.0
163.11166	5.1
165.09044	4.0
167.08543	3.3
169.10091	16.2
170.10973	4.3
171.11705	23.5
173.09618	8.1
173.13261	18.8
175.11186	6.5
175.14896	13.1
175.16234	2.7
177.09129	4.2
179.10680	7.0
181.10126	14.3
182.10854	6.1
183.10260	3.7
183.11627	17.8
184.12279	3.4
185.09579	2.6
185.13223	16.1
187.11172	5.4
187.14810	22.0
189.12766	4.7
189.16341	10.3
191.10570	3.0
195.11694	13.7
196.12408	5.5
197.13194	19.6
199.11166	3.2
199.14795	18.1
201.12700	3.5
201.16414	17.7
203.14172	3.4
203.17947	6.0
205.12170	2.8
207.11766	5.5
207.13763	3.4
209.09799	3.0
209.13231	13.3
211.11237	4.4
211.14853	9.6
213.12724	4.4
213.16357	9.0
215.14307	7.2
215.17993	2.9
219.11914	3.3
219.13857	7.9
221.13289	4.8
223.11327	3.9
223.14915	13.0
225.12778	3.1
225.16374	11.9
227.18001	5.1
229.12236	2.6
229.15897	4.6
231.13782	11.9
233.15344	7.1
235.14908	3.5
237.16454	6.1
238.17131	5.6
239.14471	3.4
239.17899	20.8
240.18718	7.3
241.19443	8.0
243.13965	3.9
245.15309	7.7
247.16942	4.2
249.16478	4.5
251.18085	5.8
253.19466	10.2
255.17281	4.1
255.21202	13.4
259.16983	5.1
263.18198	4.4
273.18326	4.1
277.19427	3.7
279.20996	4.1
281.19501	4.4
281.22595	19.0
283.24234	26.9
287.20227	3.1
307.19067	3.6
311.23535	6.4
325.21744	4.0
329.24707	12.1
377.24872	2.9
387.25064	3.7
389.26877	21.8
390.27295	3.0
393.27631	3.6
411.29016	3.2
419.29422	22.0
420.29828	4.2
421.31027	53.8
422.30899	3.8
429.27719	8.0
437.30475	29.8
438.31134	4.0
439.31952	9.6
447.28708	25.9
455.31564	4.0
465.30017	18.1
483.31165	12.4
507.30896	7.5
525.32074	18.6
543.33575	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
55.01869	3.9
55.05511	25.4
59.04995	4.3
59.59907	2.4
67.05513	16.9
69.07068	22.1
70.50212	6.3
70.50581	4.4
71.04999	4.2
79.05482	15.6
81.03426	7.1
81.07053	43.1
83.04961	16.8
83.08627	11.1
85.06538	5.3
91.05475	21.7
93.07036	24.9
95.04965	9.5
95.08599	28.4
97.06515	6.5
97.10159	5.0
99.04447	11.4
101.05985	5.1
105.07040	26.1
107.08592	27.4
109.06522	100.0
109.10148	14.9
111.04434	11.1
111.08084	7.4
113.06020	3.4
117.07018	5.5
119.08578	30.6
121.06478	4.0
121.10146	16.7
123.08026	5.5
123.11707	5.9
127.07549	6.8
127.72986	2.5
129.06985	3.9
131.08577	16.7
133.10118	19.8
135.08084	3.6
135.11670	6.5
135.86011	2.7
137.05946	18.5
139.07510	4.7
141.09082	3.0
143.08548	14.3
144.09364	2.7
145.10121	30.1
147.08009	6.5
147.11708	13.6
149.09622	6.4
149.13254	3.6
155.07039	53.3
155.08461	5.3
156.07321	3.3
156.09377	3.6
157.10126	31.6
159.08113	2.9
159.11684	26.7
161.09634	6.6
161.13272	9.9
169.10097	21.4
171.11691	28.7
172.56474	2.7
173.09657	4.7
173.13252	14.6
175.11203	6.7
175.14854	5.6
177.09106	2.8
179.10599	3.3
182.10858	3.3
183.11670	18.9
184.12450	3.2
185.09732	3.1
185.13261	20.5
187.11246	4.6
187.14792	14.0
191.10625	4.9
193.10286	3.9
193.12320	3.8
195.11699	9.6
197.13284	10.6
199.11168	5.7
199.14827	8.8
201.12764	3.9
201.16344	3.6
207.11743	3.6
209.13332	13.1
210.14015	2.6
211.11252	5.6
211.14883	15.0
213.12799	5.3
213.16347	6.7
215.14238	2.7
215.17903	4.6
217.12155	4.9
219.13785	4.5
221.13281	7.5
223.14740	12.6
225.12801	5.4
225.16386	9.0
227.14380	8.9
227.17943	6.8
229.12259	2.7
229.15825	4.4
231.13873	5.3
233.15436	4.5
235.14886	4.1
237.16377	6.4
239.14297	4.1
239.17935	3.0
241.15820	3.3
243.13873	3.5
245.15428	9.2
247.14749	4.7
247.16910	14.8
249.16374	4.6
251.14229	4.5
251.17981	8.0
253.15723	3.5
253.19502	3.8
255.17436	5.1
257.15503	3.1
265.15964	5.2
265.19437	5.7
267.17526	3.6
269.15564	2.8
269.19046	7.9
269.22470	2.8
271.16986	3.3
273.18515	9.1
276.20410	4.4
283.16864	4.1
287.20084	5.4
293.22672	4.8
299.20062	5.2
307.20425	3.2
309.21979	4.1
311.23633	15.7
325.21658	4.3
327.23245	5.7
329.24741	80.1
330.25159	3.6
387.23004	4.6
401.23233	9.6
405.24197	8.1
423.25320	5.8
429.27783	15.8
447.28888	27.8
465.29971	60.8
483.31100	92.4
484.31384	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.4
55.05508	16.7
57.03440	7.9
67.05508	51.3
69.03470	3.0
69.07079	13.5
70.98522	2.1
71.04999	6.4
79.05489	44.0
79.05914	4.4
81.03421	2.7
81.07060	40.8
82.07400	2.9
82.20226	2.1
83.05001	3.3
83.08620	12.2
91.05500	20.8
93.07054	52.7
95.04969	9.9
95.08608	56.1
96.08943	2.6
97.02847	3.0
97.06477	4.0
98.22801	11.6
99.04442	2.5
105.07029	14.4
107.04964	7.7
107.08610	37.0
109.06496	4.1
109.10146	14.7
117.07036	10.6
119.08591	16.3
121.06533	4.9
121.10143	22.2
123.11671	3.5
131.08580	4.3
132.09029	2.7
133.10138	7.1
135.08029	2.9
135.11684	41.7
135.49103	2.2
143.08585	3.1
145.10126	30.6
147.11670	8.5
149.91531	2.3
157.10045	2.5
159.11758	2.7
163.11192	49.9
167.07059	3.5
181.12224	10.2
203.17969	3.0
227.12773	100.0
228.13098	4.6
231.17430	3.7
232.17743	5.2
259.58536	3.0
261.22217	5.3
283.15369	54.0
284.15707	3.0
335.25766	81.7
336.26233	5.7
429.91870	2.7
505.69223	2.8
543.36755	44.0
544.37024	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01881	3.2
55.05508	14.2
57.03436	8.0
57.07074	3.4
65.03928	2.9
67.05173	3.7
67.05506	39.7
67.05840	3.5
68.05846	1.9
69.07078	12.9
69.93036	7.1
71.04986	3.2
79.05490	31.3
81.03410	2.5
81.07059	39.0
83.04987	2.7
83.08622	6.8
91.05478	15.8
91.18156	2.1
92.32719	2.2
93.07052	39.8
95.04984	7.7
95.08610	45.2
97.06559	3.6
97.10169	2.3
98.23054	4.1
105.04516	1.8
105.07024	19.7
107.04959	6.3
107.08591	28.3
109.06547	2.7
109.10133	10.9
111.04452	2.0
117.07052	9.0
119.08581	15.7
120.08961	3.0
121.06504	3.5
121.10153	16.9
123.11726	2.8
131.08572	6.1
133.10127	7.8
135.08150	2.2
135.11691	28.5
145.10130	16.3
147.11723	9.0
149.13268	2.8
153.54842	1.8
159.11649	3.2
161.13326	6.1
163.11180	32.2
165.12910	1.7
167.07050	5.7
181.12233	5.9
184.05161	2.0
203.17992	12.7
204.18759	5.1
221.11847	3.0
227.12785	65.3
228.13057	2.7
235.13354	2.8
261.22110	5.9
264.01233	1.8
277.54446	2.0
283.15390	35.6
305.24680	1.8
335.25800	100.0
336.26221	7.8
343.15359	2.6
427.20596	2.3
528.37708	4.1
543.36774	41.0
544.37073	6.6
592.61554	2.1
601.24091	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71914	1.2
53.03943	3.2
55.01871	3.6
55.05495	1.8
57.03443	12.8
59.04986	1.9
61.02921	3.9
65.03941	2.0
67.05517	1.6
68.99798	2.6
69.03431	56.3
69.60193	1.0
71.01353	2.9
71.04993	6.7
71.30702	1.6
73.02917	23.9
79.05489	3.2
81.03425	4.7
83.04967	7.4
85.02907	36.5
87.04478	8.4
91.03961	1.8
91.05489	2.1
95.04974	4.3
95.08635	2.1
97.02897	100.0
97.06537	2.4
98.03682	3.9
99.00836	1.8
99.04475	3.5
103.03937	2.9
105.07046	2.2
107.04963	14.4
107.08565	1.3
109.02873	1.9
109.10189	1.5
111.00798	1.5
111.04468	7.1
113.02366	8.1
115.03927	37.9
121.02878	13.9
123.04420	5.0
125.02352	8.6
125.05986	3.4
127.03916	14.1
133.04953	3.2
135.04457	5.6
137.02368	2.6
139.03911	13.3
143.03392	15.5
145.06392	1.5
147.04347	1.4
149.02373	2.8
153.01862	6.6
153.05455	15.7
157.05017	1.6
159.04280	1.3
161.04520	2.8
163.03911	4.2
165.01836	4.3
165.05499	1.6
167.03426	4.0
173.02321	1.3
175.03824	1.3
177.01903	1.3
181.04970	36.0
182.05345	1.2
183.02962	1.9
183.06528	1.9
185.04469	11.4
187.03833	1.3
191.03377	1.9
193.05032	4.8
195.02847	5.4
199.05992	2.2
203.03458	1.7
203.05481	4.1
211.06013	28.2
213.05400	1.2
215.07123	2.7
219.02908	2.0
229.07060	5.8
233.15388	1.8
243.06572	1.9
245.04520	2.6
255.06577	2.8
257.06552	11.2
263.05438	2.5
267.06409	2.1
271.05994	2.6
275.07666	2.6
285.07544	2.0
287.05493	92.8
288.05814	5.8
289.07162	6.7
295.05984	2.5
301.06931	1.7
313.07074	3.0
315.05054	1.6
331.08035	3.8
381.09607	2.1
399.10648	4.1
417.11594	2.9
435.12933	3.9
579.21857	65.8
580.22174	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1495
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
51.02375	1.0
53.03939	0.8
55.01867	1.7
64.82712	0.5
65.03944	1.5
67.05499	0.7
68.99784	5.4
69.55332	2.4
71.33756	0.5
77.03920	0.9
79.05473	1.2
81.03421	2.7
85.02922	0.8
89.03916	1.2
91.05439	1.0
93.03415	0.9
95.04967	1.5
98.23352	0.6
99.04472	1.2
103.05447	0.8
105.03368	1.0
107.04971	2.8
109.02855	3.0
111.00809	2.3
111.04422	3.3
115.05438	0.7
117.03341	0.7
117.07011	1.0
119.04933	1.8
121.02862	1.7
121.06538	0.6
123.04430	43.0
124.04783	0.9
127.03913	100.0
128.04286	1.6
131.04897	1.9
135.04408	29.9
136.04785	0.7
137.02321	3.1
137.05927	1.0
139.03899	48.1
140.04239	1.4
141.06990	0.7
143.04878	0.8
144.06958	0.9
144.08089	17.3
145.06487	1.0
147.04408	7.2
148.04715	0.6
149.02324	4.3
149.05977	1.6
151.03908	6.8
153.01755	0.7
155.04942	0.8
159.04404	3.1
161.05981	4.4
161.10748	2.5
161.99022	0.5
163.03908	36.3
163.99834	0.5
164.04315	1.0
165.05481	5.7
167.03380	7.7
167.07007	3.9
169.06500	1.3
173.06012	4.3
175.03876	4.2
177.05490	3.1
179.03348	3.4
179.07076	0.8
181.05020	0.9
181.06447	0.9
183.04465	0.8
185.06006	1.9
187.03833	6.3
187.07524	0.6
189.05458	2.3
191.03380	11.2
191.04994	0.9
193.04961	3.8
195.06952	0.5
197.06024	3.4
200.04663	0.6
201.05423	6.3
203.03384	8.0
203.06956	2.3
205.04979	2.7
207.06499	1.6
213.05505	1.6
215.03459	1.6
215.07054	2.5
217.04979	1.5
225.05449	1.0
227.06947	0.7
229.04973	7.2
231.06366	2.3
233.04405	4.9
239.53374	0.5
241.05070	1.0
243.06535	4.1
245.04428	6.4
247.06010	14.4
251.05502	0.8
253.04948	1.3
255.06560	2.0
257.04471	10.1
258.04941	1.2
259.05969	8.6
260.06277	0.5
261.07556	0.8
269.04330	2.9
271.05994	17.6
272.06442	1.1
273.07559	1.6
275.05475	17.1
276.05890	0.6
283.05988	7.4
285.07468	0.6
287.05487	23.7
288.05746	0.9
289.07043	10.5
291.08624	11.1
299.05457	4.0
301.07028	11.3
302.07504	0.7
303.08572	2.5
311.05551	0.6
409.09158	21.2
410.09525	1.1
411.10703	2.8
417.16101	0.7
421.09058	1.4
427.10226	4.9
435.10992	0.8
439.10236	1.1
458.62595	0.5
579.20807	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1496
Annotation	ent-Epicatechin-(4alpha->8)-ent-epicatechin
Peak:m/z	Relative Intensity
50.63566	0.5
53.03946	0.7
55.01864	1.5
65.03937	1.3
67.01869	1.1
67.05486	0.7
68.99790	4.5
77.03939	0.8
79.05493	0.5
81.03417	2.8
89.03919	1.3
91.05476	0.6
93.03417	1.0
95.01292	0.5
95.04972	1.5
99.04464	1.4
100.28871	0.5
103.05462	0.5
105.03375	0.7
107.04961	3.3
109.02894	3.2
110.64166	0.4
111.00815	2.2
111.04468	2.2
115.05397	0.6
117.03438	0.5
119.04951	1.4
121.02870	1.8
123.04433	35.2
124.04785	0.8
127.03917	100.0
128.04243	1.9
131.04944	1.8
135.04417	28.4
137.02324	2.9
137.05968	1.2
139.03902	42.3
140.04251	0.7
141.07010	0.8
143.04929	0.9
145.06522	1.0
147.04422	4.3
149.02345	4.3
149.05980	2.0
151.03912	8.0
154.79703	0.5
155.04890	0.9
157.06497	0.9
159.04399	2.8
161.06001	2.8
163.03903	33.5
164.04260	1.2
165.01860	0.5
165.05493	5.2
167.03397	7.3
169.06505	1.5
173.05893	2.7
175.03874	3.6
177.05504	3.3
179.03337	3.3
179.07097	0.5
181.04993	0.7
183.04411	0.5
185.06015	1.4
187.03857	5.1
187.07544	0.7
189.05493	1.6
191.03395	11.7
192.03743	0.6
193.04990	3.4
197.05945	3.8
201.05449	6.2
203.03392	8.3
203.06987	2.5
205.04942	2.9
207.06493	1.2
209.05977	0.6
213.05482	1.7
215.03430	1.8
215.07031	2.3
217.04961	1.6
225.05447	1.0
229.04936	6.6
230.05318	0.5
231.06570	1.6
233.04413	4.8
241.05031	1.3
243.06564	3.6
245.04453	5.9
247.06018	15.9
251.05522	0.9
253.04945	1.1
255.06496	2.0
257.04477	7.7
258.05081	0.9
259.06015	9.3
269.04492	2.3
271.06021	15.5
272.06448	1.2
273.07758	0.9
275.02469	0.7
275.03256	0.4
275.05487	16.2
276.05875	1.2
283.06049	5.6
287.05487	17.6
288.05807	1.2
289.07034	9.8
290.07190	0.5
291.08624	6.5
292.08795	0.6
297.07675	0.8
299.05521	3.8
301.07080	8.9
303.08618	2.6
311.05222	0.7
379.88162	0.4
391.08212	0.6
409.09140	17.8
410.09494	1.1
411.10699	2.2
417.11615	3.7
421.09158	0.9
427.10248	4.8
507.14087	0.5
545.91919	0.6
579.15814	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1494
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
55.01874	1.5
55.76529	0.5
65.03923	0.8
67.01869	0.9
67.05511	0.6
68.99786	4.4
69.41814	3.8
81.03414	3.7
93.03374	0.9
95.04979	1.1
98.22558	0.7
99.04456	1.3
103.05502	1.1
105.03377	0.7
107.04939	3.5
109.02876	3.4
111.00806	1.9
111.04446	1.8
117.03396	0.5
119.04908	1.7
121.02865	1.9
121.30895	0.5
123.04427	34.2
124.04759	0.9
127.03913	100.0
128.04239	2.3
131.04907	2.6
135.03357	1.3
135.04407	29.3
137.02335	3.0
139.03902	39.2
140.04218	1.0
141.07008	0.8
145.06572	0.8
147.04391	4.5
149.02354	4.0
149.05981	1.8
151.03917	5.8
155.04895	0.9
157.06476	0.8
159.04419	2.5
161.05960	2.4
163.03900	31.9
164.04279	1.1
165.05475	4.3
167.03413	6.8
169.06505	1.5
173.05916	3.1
175.03946	2.9
177.05469	3.8
179.03444	2.7
185.06004	0.6
187.03810	5.1
187.07455	0.6
189.05438	2.0
191.03380	9.3
193.04974	2.3
197.05934	3.5
198.92091	0.6
199.03778	0.5
201.05443	6.1
203.03404	7.1
203.07112	2.3
205.04951	2.5
207.06499	1.1
213.05508	0.8
215.03441	1.4
215.07040	2.4
217.05017	0.9
225.05489	1.4
229.04955	5.2
231.06590	1.4
233.04433	5.8
234.04826	0.7
241.05043	0.8
243.06456	3.5
245.04451	5.6
247.06021	11.7
253.05000	1.0
255.06651	1.2
257.04425	7.9
258.04950	0.8
259.06000	7.0
261.07635	0.9
269.04382	2.2
271.05988	16.6
272.06454	1.1
273.07568	1.5
275.02802	1.2
275.05515	13.1
276.05759	1.0
283.05991	5.5
287.05487	17.2
288.05737	1.1
289.07065	7.8
290.07391	0.7
290.21191	0.6
291.08609	7.5
292.09232	0.6
297.07623	0.8
299.05505	3.6
301.07104	7.3
302.07358	0.6
303.08621	1.7
391.08197	0.9
409.09146	14.9
410.09210	1.5
411.10632	2.6
421.08676	0.7
427.10254	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59842	0.7
53.03944	1.2
54.35404	0.7
55.01874	1.8
57.91611	0.8
65.03925	0.9
67.05492	1.5
68.99783	5.1
69.08252	0.7
77.03912	0.8
81.03429	4.0
93.03344	0.8
95.04967	2.5
97.32955	0.7
99.04478	1.0
105.03387	0.9
107.04990	3.9
109.02879	3.7
109.53633	0.7
111.00781	3.1
111.04427	2.9
119.04936	2.4
121.02863	2.3
123.04430	56.2
124.04743	1.3
127.03915	100.0
128.04248	3.0
129.06998	1.0
129.41927	0.7
131.04909	1.5
135.04417	31.5
136.04730	0.8
137.02330	5.6
137.05949	1.5
139.03897	66.0
140.04225	1.8
145.02882	0.8
147.04391	8.9
149.02368	5.2
149.05968	2.0
151.03893	11.5
157.06525	1.0
159.04396	3.4
161.06001	2.9
163.03906	36.0
164.04274	1.1
165.05510	6.8
167.03400	8.5
169.06485	2.0
173.05968	3.6
175.03896	5.7
177.05461	4.9
179.02107	0.8
179.03366	3.7
179.06967	0.9
181.04977	1.2
181.06386	1.3
183.04391	1.4
185.06027	1.3
187.03868	6.7
189.05450	2.4
191.03378	14.4
193.04979	4.7
197.05966	3.4
197.07611	0.8
201.05460	8.3
203.03403	12.0
203.07077	1.7
205.04999	3.4
213.05490	1.7
215.03479	1.6
215.07025	2.9
217.05017	2.1
225.05461	1.3
227.07063	0.9
229.04962	8.0
231.06522	2.9
233.04466	7.8
241.05104	1.2
243.06512	3.5
245.04398	6.6
247.06010	20.5
248.06197	0.8
251.05388	1.3
253.05038	1.0
255.06538	2.1
257.04437	13.4
258.05197	1.7
259.06024	12.9
269.04456	3.6
271.05981	17.9
272.06433	1.2
273.07559	2.1
275.05508	19.9
283.05969	8.8
287.05496	24.2
288.05713	1.7
289.07040	11.2
291.08624	11.2
299.05536	3.7
301.07040	15.4
302.07327	0.9
303.08578	3.9
333.09509	1.3
356.27448	0.9
358.12131	0.8
399.29343	1.0
409.09134	25.4
410.09534	1.8
411.10791	1.6
421.09256	1.7
427.10199	5.2
435.10727	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1496
Annotation	Kaempferol 3-(4''-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
51.02414	0.9
53.03947	1.3
55.01871	2.4
55.81590	0.6
56.23209	0.6
65.03943	1.1
67.05517	1.7
68.99783	6.6
71.07241	1.3
77.03910	1.5
79.05486	1.8
81.03423	3.3
83.04993	0.9
85.02917	1.0
89.03912	1.5
91.05500	2.0
93.03407	1.7
93.15427	0.8
95.04978	3.0
99.04484	1.2
105.03369	1.8
106.05264	0.7
107.04960	4.9
109.02889	3.1
111.00822	3.0
111.04446	3.5
115.05479	1.0
117.03413	0.7
119.04956	5.5
121.02834	2.4
122.84761	0.7
123.04431	100.0
124.04758	1.6
127.03915	95.5
128.04219	2.1
131.04941	2.6
133.02728	0.8
135.04419	34.5
136.04765	0.8
137.02364	5.5
139.03899	35.5
141.07037	1.6
143.04927	1.4
145.06511	1.1
147.04416	16.3
148.98788	0.8
149.02379	4.5
149.05980	2.0
151.03893	5.8
153.06985	1.1
157.06508	1.0
159.04440	4.2
161.05974	6.0
163.03905	40.5
164.04269	1.4
165.05467	6.3
167.03429	5.6
169.06488	2.0
171.04332	1.1
173.05971	3.9
175.03928	5.0
177.05434	4.0
179.03397	6.5
179.06976	1.1
181.04942	2.0
181.06477	1.6
183.04388	0.9
185.05916	1.9
187.03920	5.8
189.05513	5.0
191.03404	11.5
193.04951	6.4
197.05936	4.3
201.05486	5.3
203.03392	11.5
203.07002	2.3
205.04985	3.0
207.06485	2.5
209.86659	1.1
211.03860	1.0
213.05478	3.6
215.03421	1.8
215.06970	3.4
217.04945	3.7
225.05411	1.9
229.04984	8.2
230.05270	0.9
231.06467	2.3
233.04446	2.2
241.04950	2.7
243.06467	4.9
245.04482	15.7
246.04730	1.1
247.03618	1.4
247.06004	15.5
253.05003	1.5
255.06461	2.9
257.01688	0.8
257.04425	19.9
258.05139	3.3
259.06067	6.1
269.04410	2.4
271.06024	21.9
272.06229	1.2
273.07480	1.4
275.05487	15.9
276.05725	1.0
283.06055	7.4
285.03738	0.8
285.07513	2.3
287.05493	39.4
288.05838	2.1
289.07077	10.3
291.08588	10.1
295.06198	0.9
295.10034	0.8
299.05472	10.2
301.07095	10.9
303.08746	3.7
311.05331	1.3
312.38708	0.7
313.06976	2.2
332.35425	0.7
336.85080	0.7
339.09766	0.7
341.10074	0.8
391.08151	0.9
409.09164	34.9
410.09329	2.0
411.10736	4.0
421.09021	1.6
427.10178	6.3
428.10468	1.0
433.10950	1.0
435.10715	5.3
439.10248	4.9
440.42398	0.9
453.11539	1.2
498.21786	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1494
Annotation	Kaempferol 3-(2''-(Z)-p-coumaroylrhamnoside)
Peak:m/z	Relative Intensity
51.02378	0.8
55.01872	1.6
65.03927	1.4
67.05511	1.6
68.99791	3.4
69.18815	5.4
77.03923	1.0
79.15559	0.8
81.03414	1.3
85.02911	0.7
86.69258	0.7
91.05479	1.6
93.03426	1.1
95.04974	2.0
97.02876	0.9
98.42423	0.7
105.03409	1.8
107.03119	0.7
107.04968	2.0
109.02875	1.1
111.00827	2.0
111.04459	1.9
119.04939	4.2
121.02921	1.2
123.04427	100.0
124.04720	2.1
127.03916	23.5
131.04892	1.2
135.04422	16.8
137.02382	1.8
137.05986	1.1
139.03902	32.6
143.04913	1.4
145.06425	1.2
147.04395	14.8
149.02333	3.3
149.06050	1.2
151.03906	5.2
153.07056	1.1
159.04395	1.9
161.05986	2.7
163.03899	23.5
164.04263	1.1
165.05493	9.0
167.03416	2.8
170.69229	0.7
171.04388	1.3
173.05975	2.3
175.03928	3.2
177.05458	2.8
179.03436	6.2
181.05070	1.5
181.06477	1.6
183.04292	0.7
185.05972	1.6
187.03911	3.1
189.05516	3.2
191.03395	5.7
193.04990	8.1
197.05983	1.7
199.03877	1.3
201.05521	4.6
203.03403	13.8
203.07019	1.0
205.04964	0.9
207.06607	1.7
213.05467	4.9
215.07016	0.8
217.04884	4.7
225.05489	0.8
229.04909	6.9
231.06496	1.7
233.04440	2.6
241.04961	1.7
243.06586	1.5
245.04460	15.9
247.06010	17.3
248.06284	0.8
253.04965	1.0
255.06421	4.7
257.04449	18.3
258.05090	2.8
259.06012	4.0
269.04388	2.8
271.05988	8.6
273.07498	2.6
275.05505	16.0
283.06003	7.5
285.07581	3.7
287.05496	38.8
287.40048	0.8
288.05869	1.7
289.07050	4.0
291.08603	9.2
295.05991	1.0
299.05450	8.7
301.07050	12.1
303.08603	1.5
313.07083	2.5
331.08066	0.9
333.09537	0.9
391.07910	0.8
399.38458	0.7
409.09152	38.3
410.09344	3.1
411.10745	1.2
417.10022	1.0
421.08981	2.1
427.10245	2.7
435.10638	6.9
439.10306	3.0
453.11798	2.3
484.11774	0.8
607.33447	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01870	1.0
65.03937	1.1
67.01862	0.7
68.99463	0.9
68.99790	5.7
69.63631	1.6
69.64067	2.0
77.05659	0.7
79.05499	0.9
81.03400	3.0
83.04951	0.6
89.03906	1.1
91.05460	0.6
93.03413	0.9
95.04977	1.7
99.04429	1.0
103.05472	0.8
105.03397	1.0
105.06992	0.8
107.04956	3.0
109.02867	3.4
111.00806	2.1
111.04446	3.2
117.03398	0.6
119.04947	1.0
121.02838	1.9
123.04428	42.0
124.04762	1.4
127.03914	100.0
128.04256	2.2
129.22400	0.5
131.04927	2.2
135.04411	29.6
136.04811	0.9
137.02333	2.3
137.05965	1.1
139.03899	45.6
140.04211	1.1
141.06949	1.1
147.04388	6.9
149.02327	4.7
149.05977	1.7
151.03905	8.9
157.06432	0.7
159.04449	3.7
161.05968	2.4
163.03906	32.7
164.04256	0.9
165.01851	0.6
165.05479	4.5
167.03398	6.9
169.06488	1.8
172.45061	0.6
173.05988	2.2
175.03970	2.9
177.05460	3.8
179.03381	2.9
181.04980	1.2
181.06444	0.9
183.04376	0.7
185.05933	1.0
187.03845	7.3
187.05148	0.7
187.07553	1.0
189.05411	3.1
191.03386	12.2
193.04948	4.4
197.05986	2.8
201.05495	5.4
203.03395	8.9
203.07079	2.1
205.05017	2.8
207.06404	1.4
213.05502	1.6
215.03433	1.2
215.06902	2.9
217.04955	1.1
225.05554	1.2
229.04947	6.0
231.06566	1.3
233.04378	5.2
241.04959	2.1
243.06529	4.0
245.04454	6.3
247.06013	14.5
253.05005	1.1
255.06445	1.9
257.04437	8.7
259.06058	8.4
269.04489	1.4
271.05984	18.1
272.06335	0.8
273.07605	1.3
275.02496	0.7
275.05475	13.9
276.06015	0.9
283.05994	6.5
287.05490	20.0
288.05722	1.2
289.07028	9.1
291.08624	8.9
299.05457	2.8
301.07077	9.1
303.08566	1.9
311.05463	0.8
379.07681	0.6
409.09143	17.2
410.09390	1.2
411.10696	2.7
421.09235	0.9
427.10181	3.3
435.10788	1.0
439.10251	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1708
Annotation	Kaempferol 3-O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
55.05513	2.0
57.03436	13.2
58.69448	1.4
61.02918	1.8
67.05511	3.3
69.03433	14.0
69.24152	1.6
71.05001	47.3
71.29930	2.0
73.02911	5.4
75.04470	7.9
79.05497	4.1
81.07043	9.8
83.04977	6.4
84.08140	10.2
85.02904	67.2
91.05482	2.5
93.07073	2.8
95.04964	5.1
95.08596	3.7
97.02902	5.8
99.04450	2.5
105.07004	3.2
106.07291	1.7
107.04973	7.7
107.08609	3.1
109.06528	11.6
109.89513	1.9
111.04449	5.6
117.06982	2.7
118.07353	1.8
119.08572	2.4
121.02875	13.8
121.06489	2.1
123.04456	2.3
127.03900	3.7
129.05484	16.8
129.07013	2.9
131.08585	4.8
135.04460	2.7
137.05981	14.4
138.06293	4.2
139.03931	2.6
141.07024	2.1
143.08565	3.5
145.06451	2.6
145.10107	3.8
147.06566	3.4
147.08017	3.2
149.09648	3.0
153.01840	6.5
153.05530	2.7
155.08516	2.9
157.10237	2.4
159.08052	5.9
165.01848	3.6
166.80009	1.8
168.09167	2.0
171.08061	1.8
173.09601	6.9
181.08557	2.1
183.02872	2.7
183.11725	1.9
185.09624	2.1
187.11145	5.8
188.11530	2.4
189.09175	1.9
193.10147	2.0
199.07397	2.2
201.09021	2.3
203.03429	1.8
205.08624	1.9
213.05415	2.0
213.09192	2.1
217.04926	1.8
245.04436	2.6
259.05984	1.9
259.33533	2.0
283.06049	3.1
286.04846	2.4
287.05490	100.0
288.05798	4.0
289.07083	2.3
296.26492	1.9
299.05505	20.5
300.06171	5.8
303.04941	3.5
311.05466	4.8
313.06976	4.0
325.07104	6.1
329.06561	30.9
337.07156	2.4
341.06638	2.2
351.08325	2.4
353.06516	20.6
379.08029	9.6
392.19485	1.9
397.09155	24.9
399.32040	3.5
415.10190	11.3
418.17032	2.4
422.20200	2.2
433.11304	40.8
435.17935	2.6
436.18298	5.7
438.19751	2.3
453.19354	3.5
454.19183	4.0
456.20728	2.8
459.34842	2.2
464.22714	2.0
465.19043	2.4
466.19254	3.9
468.20840	1.8
472.20197	3.7
484.20441	6.2
497.21912	2.7
501.21255	5.6
502.21667	16.7
508.20187	4.6
525.21277	4.7
526.21344	12.8
527.22766	3.1
543.22302	4.7
544.22693	12.9
562.23718	6.5
578.25793	4.2
579.26569	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40808	1.2
57.03408	1.4
61.41756	1.2
68.99789	2.0
69.03422	1.8
69.12609	2.2
69.12942	12.1
71.04984	5.2
78.04704	1.5
81.03430	2.3
85.02901	14.1
91.05444	1.4
95.04985	1.8
97.02878	3.1
98.97614	1.5
102.29364	1.4
107.05024	1.6
111.04419	2.5
115.02844	1.4
115.03848	2.4
115.05427	2.7
117.06977	2.8
123.04424	20.5
124.04723	1.4
127.03925	21.3
129.05458	4.0
131.04936	1.4
135.03526	1.3
135.04434	9.2
137.02335	2.8
139.03897	19.4
141.01735	1.4
145.06432	4.3
147.04395	4.1
151.03870	3.9
152.04613	1.6
153.01776	1.5
155.06035	1.9
157.78337	1.3
163.03909	12.2
165.05482	2.8
167.03490	1.8
167.07047	46.2
168.12680	1.4
173.05904	7.3
181.04999	11.2
181.06361	2.3
182.09528	1.3
187.03775	1.5
189.05569	2.3
191.03392	2.2
193.04988	1.9
197.05952	1.6
201.05469	2.5
202.00984	1.2
203.03394	1.9
203.07048	1.2
205.04976	1.7
205.08557	1.8
213.05473	2.1
222.39653	1.5
229.04970	1.9
233.08005	2.4
245.04431	2.4
245.50934	1.6
247.06004	5.8
257.04398	2.8
259.06000	3.3
271.06024	7.0
271.57797	1.3
275.05484	3.9
283.05994	4.1
287.05557	15.7
288.05795	4.7
289.06381	5.0
291.08560	3.5
299.05658	1.6
301.07162	1.8
308.69699	1.5
387.14447	9.3
409.09244	7.8
417.15439	5.8
579.18463	100.0
580.18652	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64190	1.2
55.01871	2.7
65.03935	2.1
68.99796	4.5
70.19308	3.9
74.52073	1.4
77.03928	1.7
79.05482	1.9
81.03428	2.3
83.04971	1.2
85.02890	1.7
89.03941	1.3
91.05495	3.2
95.05000	2.1
99.04441	1.4
107.04971	5.5
109.02866	2.5
111.00851	1.9
111.04440	4.6
111.16973	1.3
113.58914	1.3
115.05454	1.7
119.04964	4.4
121.02937	2.4
123.04433	74.5
124.04808	2.5
125.02386	3.8
127.03920	58.7
131.04916	3.1
135.04414	18.6
136.05069	1.5
137.02364	3.8
137.05956	1.5
139.03903	80.3
140.04253	2.6
147.04408	10.2
149.02391	4.5
149.05998	3.2
151.03899	11.1
151.06404	1.3
153.01820	2.6
161.06027	4.4
163.03908	33.1
164.04207	1.4
165.05473	6.8
167.03424	4.1
169.06519	1.7
173.06001	4.3
175.03984	5.2
179.03375	8.0
182.43999	1.3
185.06023	2.5
187.03947	5.5
189.05501	4.6
191.03398	10.1
193.05016	2.9
197.06036	3.4
201.05548	5.6
203.03384	8.8
203.07217	1.9
205.05013	1.8
213.05522	2.3
217.04900	2.6
225.05626	1.8
229.05003	7.2
231.06570	3.6
233.04529	4.5
241.04945	1.3
243.06570	3.9
245.04507	9.8
247.06053	13.0
248.06454	1.6
255.06592	3.8
257.04468	13.6
259.06055	14.2
269.04626	1.8
271.05975	13.4
273.07608	2.6
275.05478	16.7
275.08835	2.4
283.06073	5.5
285.07764	1.7
287.05487	25.4
288.05862	2.5
289.07010	8.0
291.08755	6.7
299.05600	5.7
301.07056	8.8
303.08493	3.2
305.06702	1.5
409.09134	25.5
410.09351	2.6
411.10693	3.1
418.93027	1.6
421.09091	2.1
427.10315	5.9
435.10587	3.3
441.11819	4.4
443.09531	1.5
531.44458	1.7
579.18390	100.0
580.18896	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.7
55.05505	11.6
56.53245	2.7
66.51095	3.0
67.05509	5.3
69.04533	6.8
71.30658	2.9
71.31038	6.2
79.05498	3.1
83.04974	9.2
85.60468	3.4
93.07034	5.0
95.04964	11.8
99.04459	15.5
99.50784	3.3
105.03394	100.0
105.04478	5.5
105.07064	3.1
106.03751	3.3
127.03918	7.0
207.10149	6.7
244.00810	3.9
263.07047	8.7
265.05005	5.7
265.08640	4.4
266.05688	4.5
279.06567	5.1
280.07251	7.2
281.07956	4.4
292.07172	8.7
293.07779	5.5
294.05203	5.1
295.06055	7.3
295.09402	4.5
297.07550	9.8
298.08331	4.6
307.05957	3.8
311.05505	5.5
313.07111	5.8
314.08017	3.9
321.07495	5.0
322.08365	5.9
323.09149	35.5
324.09592	7.9
325.07111	8.4
326.07843	15.1
327.08646	3.8
329.10126	5.6
337.10660	4.4
339.08575	4.2
339.12363	4.5
340.09357	8.3
352.43298	3.4
353.10104	18.4
354.10654	4.7
355.11725	14.8
357.09720	21.3
367.11691	8.0
379.11810	4.9
379.37796	3.3
397.12775	14.6
462.13165	4.6
462.28931	3.2
519.16809	4.0
579.18103	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	8.1
55.01867	5.2
55.05512	82.9
63.70175	4.5
65.50600	4.1
70.57489	10.9
70.57819	4.8
74.20394	4.7
74.73242	4.3
77.57983	4.6
79.05496	7.2
81.03460	4.7
81.07052	16.2
83.04981	100.0
84.91187	8.2
91.05488	10.3
93.07084	6.6
95.04982	5.2
95.08604	9.9
96.79558	4.0
97.02885	4.6
99.04462	30.2
105.03378	14.2
106.91056	4.3
109.06493	22.4
117.07024	5.2
118.10874	4.5
119.05000	5.0
119.08566	12.0
123.08096	9.9
127.03899	13.7
132.05705	10.9
137.05965	21.9
143.08531	11.8
145.06544	23.7
147.08063	11.8
151.07549	7.8
155.08565	8.5
165.07025	7.1
167.07141	5.8
169.06497	4.8
169.10071	5.3
171.08025	16.1
179.07008	5.1
179.08553	9.9
183.08087	6.9
185.09695	5.3
193.10106	6.5
195.06554	15.7
195.08109	9.5
197.09604	8.7
199.07501	4.9
203.08762	5.2
207.08228	9.1
207.10139	31.8
209.09589	5.2
210.06810	4.4
211.07434	5.5
211.11076	4.9
217.10316	5.6
219.08179	7.1
222.06886	5.5
223.07465	9.2
223.11115	6.6
233.09531	9.0
235.07585	4.7
235.11154	8.9
237.05444	6.5
237.09111	8.7
239.03395	9.4
239.10602	4.4
241.04919	5.7
245.09633	5.4
246.10483	6.1
247.11070	7.6
250.06242	5.4
251.03416	18.3
251.07031	7.0
252.03995	10.6
253.04840	7.9
253.08568	5.3
255.06631	8.5
256.07263	7.0
257.08224	5.0
261.12723	8.2
263.07010	11.2
263.10818	5.2
265.05002	15.2
265.08603	13.0
266.05817	18.1
267.02823	5.0
267.06448	7.9
267.10022	9.5
268.03754	6.3
268.06979	6.5
269.04483	6.4
275.14355	10.0
279.06497	19.6
279.09610	6.7
279.13882	5.6
280.07343	14.3
281.04480	10.4
281.08090	9.7
281.11499	5.1
282.05167	14.3
283.06024	18.7
283.09195	5.3
285.07440	5.7
287.09012	25.1
291.06610	9.9
292.07233	14.8
293.04633	10.6
293.08099	16.3
293.11731	4.6
294.05338	7.9
294.08813	9.5
295.09613	15.4
296.03409	6.0
296.06628	5.4
297.07587	73.0
297.10867	5.6
298.08121	6.4
299.05414	9.7
303.13742	9.6
305.08237	6.8
307.06061	9.2
307.09518	7.0
308.06766	19.5
309.07526	9.5
309.11035	5.7
311.05502	22.2
311.08884	6.1
312.06232	10.7
313.06973	20.5
315.08627	16.2
321.07651	10.1
322.08267	13.3
323.09076	68.3
323.12601	6.8
324.09827	17.0
325.06921	9.5
325.10614	9.6
326.07730	20.1
327.08517	8.0
327.12158	5.8
328.09244	17.1
337.10867	12.4
339.08572	6.3
340.09180	9.5
343.08011	14.0
343.11801	6.3
348.09836	6.1
351.12314	6.8
353.10220	39.3
355.11780	35.5
355.15646	4.9
357.09680	15.1
366.11172	6.4
367.11810	13.5
369.13443	8.1
379.11685	12.4
391.19101	13.0
397.12680	28.9
400.11337	6.3
401.17401	28.0
415.13852	10.6
415.18970	6.0
419.18472	54.2
435.21790	4.9
437.19653	21.0
460.92215	5.3
461.19437	17.3
479.20557	32.3
519.24084	5.2
579.26227	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2198
Annotation	ES-242-4
Peak:m/z	Relative Intensity
69.03419	0.4
69.69143	0.6
69.69550	1.2
81.07070	0.6
93.07054	0.4
95.08636	0.3
97.06486	0.4
98.23222	0.5
105.33991	0.3
109.06480	0.3
119.08596	0.3
132.74730	0.3
137.05980	0.9
139.03896	0.5
155.08540	0.5
159.04214	1.1
171.08086	0.4
173.09689	0.5
175.03764	0.4
185.09544	0.4
189.05286	0.9
190.09492	0.3
204.07613	4.1
205.08276	0.5
215.06783	0.9
216.07620	0.5
218.56343	0.4
364.12686	0.5
382.13782	0.5
397.12610	0.6
428.17746	0.4
436.22031	0.4
467.20630	0.9
472.19983	0.4
480.20975	0.5
482.22702	0.6
484.20654	1.5
485.21530	0.9
490.19580	0.4
498.21780	0.6
509.21683	0.5
526.21478	1.8
544.22430	0.7
561.26111	2.4
579.21942	100.0
580.22290	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2201
Annotation	ES-242-4
Peak:m/z	Relative Intensity
54.00498	0.2
57.98765	0.3
68.99806	0.3
69.03442	0.5
69.24577	2.2
71.21071	0.3
72.03333	0.3
75.41516	0.2
80.46971	0.3
84.82824	0.3
85.02966	0.5
97.02930	0.3
107.04951	0.4
109.49612	0.3
118.21349	0.3
119.08592	0.6
123.04477	0.7
127.03963	0.7
131.21060	0.3
135.04468	0.6
137.05984	0.5
139.03931	0.8
159.04219	0.7
175.03751	0.4
189.05247	0.9
204.07571	5.4
205.08308	0.4
214.43105	0.3
215.06886	0.9
217.08521	0.5
230.09174	0.3
245.07857	0.7
277.10492	2.2
278.11121	0.3
287.05408	0.4
294.08728	0.5
300.18488	0.3
303.05099	1.1
325.10446	9.2
325.14041	0.6
326.10803	0.5
367.11404	0.3
381.13306	0.4
397.12564	0.5
399.99756	0.3
409.09558	0.4
519.22174	1.4
526.21729	0.3
561.22876	0.6
579.21991	100.0
580.22339	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.22
Annotation	ES-242-4
Peak:m/z	Relative Intensity
51.38868	0.6
69.03406	1.6
70.41587	1.4
71.04958	2.5
73.02883	2.4
73.17364	0.6
85.02907	3.6
98.22780	0.8
107.04264	0.7
107.04939	3.5
116.21619	0.6
121.02834	1.0
123.04391	1.3
127.03834	1.6
128.29590	0.7
131.48732	0.7
135.04376	1.6
139.03848	1.4
141.72711	0.6
146.03355	1.1
151.03877	0.7
153.01816	1.4
159.04138	1.0
163.03899	1.3
165.01807	1.2
173.02315	0.8
175.03778	0.7
189.05309	1.0
191.03510	0.7
195.02884	1.1
204.07602	8.1
239.07011	0.8
243.06422	0.7
245.04367	1.1
245.07874	3.9
273.61230	0.8
277.10461	28.0
279.06433	1.1
285.07526	0.8
287.05588	1.9
289.06567	2.3
294.08578	8.0
295.05881	0.9
295.09152	1.1
303.04993	3.0
325.10455	100.0
326.10818	5.5
331.07993	1.4
366.13052	1.4
435.12894	1.1
561.21057	1.2
579.21967	61.2
580.22418	5.2
604.85126	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	0.5
70.87229	0.4
73.02948	0.2
81.07056	0.5
84.88974	0.2
85.02918	0.4
91.05459	0.3
93.07066	0.4
99.04446	0.2
105.07047	0.5
109.06513	0.3
117.07034	0.3
123.04440	0.4
127.03905	0.6
131.04875	0.2
137.06017	0.8
139.03877	0.3
150.00366	0.2
151.03969	0.3
157.10002	0.3
159.04199	1.0
159.08115	0.3
175.03766	0.2
185.05775	0.3
189.05206	1.0
197.05856	0.3
201.05212	0.4
204.07579	5.5
205.08418	0.7
215.06812	1.3
216.07504	0.5
230.09213	0.3
231.06335	0.6
241.05013	0.3
245.07896	0.4
271.06213	0.3
287.05353	0.3
303.04968	1.4
325.10455	0.6
367.11584	0.6
381.13269	0.7
397.12656	0.7
415.83679	0.2
433.20090	0.3
481.22281	0.4
485.21902	0.4
492.43832	0.2
499.23273	0.9
500.23254	0.3
501.21509	0.2
508.20224	0.3
526.21820	0.5
543.22443	0.4
544.22449	0.3
579.21973	100.0
580.22260	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	0.3
69.03433	0.7
69.50943	1.3
69.51351	0.5
71.04991	0.8
73.02918	0.7
75.04491	0.4
77.60823	0.3
79.05494	0.5
81.07086	0.5
83.04980	0.4
85.02912	1.7
85.03355	0.3
93.07059	0.3
97.02927	0.3
105.07074	0.6
107.04986	0.3
109.10162	0.3
111.04461	0.7
119.08552	0.4
123.04435	1.0
127.03918	1.6
133.10104	0.4
135.04430	0.7
137.05937	0.7
139.03928	1.0
159.04182	0.4
163.03976	0.8
166.46667	0.4
175.03740	0.6
203.03545	0.4
252.64131	0.3
259.06320	0.3
287.05557	1.9
288.06024	0.3
289.06256	0.4
349.11032	0.3
352.13004	0.8
364.12738	0.7
367.11417	0.4
382.14133	0.5
397.09161	0.3
417.11703	0.4
478.23428	0.3
493.72238	0.3
531.19952	0.3
549.20880	1.2
561.20947	0.8
579.21967	100.0
580.22278	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.4
55.05513	69.7
62.49018	2.7
65.45222	2.3
69.06721	24.4
83.04985	100.0
94.41403	2.3
226.06328	4.9
231.64601	2.5
233.09584	3.2
275.07172	4.1
277.08432	3.6
291.06799	2.5
291.09866	3.5
318.08774	3.0
321.11258	4.4
333.07416	4.8
340.09396	2.6
347.09164	5.1
348.10019	9.9
349.07077	3.1
349.10748	6.7
351.12354	4.1
367.11688	15.3
379.11761	28.6
397.13141	5.2
449.15945	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
53.60715	1.0
55.01856	1.0
55.05512	74.0
55.66492	1.0
56.05838	1.6
57.03429	3.8
67.05505	17.0
68.05828	1.6
69.07068	4.1
71.04980	1.8
71.30645	1.4
79.05496	13.2
80.05817	2.3
81.03420	1.8
81.07049	14.3
82.07388	1.6
83.04981	70.2
83.08611	2.9
85.06535	2.0
91.05481	9.7
93.07056	12.8
94.07371	1.8
94.09114	1.0
95.04966	2.9
95.08606	12.4
96.08924	1.5
97.06520	2.0
97.10168	1.4
105.07039	9.4
106.07336	1.8
107.08598	7.0
109.10140	5.2
111.04443	1.1
111.08099	1.2
117.07013	5.2
118.07410	1.4
119.08587	6.5
120.08858	1.3
121.06472	1.3
121.10129	7.2
122.10481	1.1
123.08076	1.8
129.06964	1.9
131.08548	3.5
132.08820	1.2
133.10156	6.1
134.10469	1.5
135.08125	1.3
135.11697	4.7
137.06006	1.6
143.08557	1.8
145.10120	6.2
146.10495	1.4
147.11664	2.3
148.12029	1.6
149.09651	1.3
157.10112	2.3
159.11670	3.1
161.09651	1.3
163.11197	5.0
167.07036	2.3
169.10139	1.7
171.11696	1.2
173.09668	1.1
173.13287	1.3
183.11754	1.2
197.13300	1.5
199.14864	1.2
207.07986	1.5
209.09689	1.6
227.12817	5.4
235.07536	1.4
247.07556	1.9
248.08302	1.7
261.21863	1.6
262.09924	1.1
263.06958	2.5
263.10605	1.5
275.06995	2.9
276.07761	3.3
277.08383	1.2
283.15405	2.4
284.15756	1.3
289.08423	1.7
290.09436	1.4
291.06497	3.6
291.09695	1.4
303.06543	2.0
304.07187	2.0
305.08051	4.2
306.08606	1.6
316.07172	1.5
318.08853	3.7
319.05899	2.6
319.09225	2.1
321.07523	2.1
321.11191	1.9
331.05774	1.4
333.07526	5.0
334.08215	3.9
335.25803	7.6
336.26025	5.1
347.09808	1.2
348.09875	4.6
349.06995	3.7
349.10745	6.5
364.09332	5.5
379.11749	100.0
380.11990	8.9
450.81412	1.2
528.37531	1.8
529.37921	2.0
543.36578	3.2
544.37170	2.2
546.38770	1.9
561.37097	1.8
579.28033	1.7
579.38159	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.5
54.26105	0.3
54.59128	0.4
55.01873	0.4
55.05507	0.6
67.05501	1.0
69.03437	1.4
69.08448	0.6
69.08846	2.8
73.02916	0.4
79.05498	1.1
81.07077	2.2
83.04979	0.8
85.02921	0.5
91.05482	3.0
93.07040	1.4
95.04980	1.1
95.08609	1.2
97.06537	1.2
103.05490	0.5
105.07023	3.0
107.04943	0.9
107.08611	2.1
109.02860	0.5
109.06522	3.4
109.10204	0.5
111.04459	0.5
111.08095	1.0
112.27116	0.5
112.34035	0.3
115.05497	0.6
117.07027	3.3
119.08569	2.4
121.06529	1.3
121.10157	0.8
123.04436	1.7
123.08067	1.4
125.06014	0.5
127.03936	1.5
128.06215	0.9
129.07021	2.3
131.08566	3.6
133.06505	1.5
133.10089	1.8
135.04440	0.5
135.08069	2.0
137.02325	0.4
137.05972	1.1
137.09622	0.9
139.03943	1.1
139.07545	0.7
141.07007	2.2
142.07709	0.7
143.08563	2.4
144.09361	0.6
145.06502	1.0
145.10118	3.3
147.04388	0.5
147.08061	2.0
147.11699	1.1
149.05978	0.8
149.09601	1.4
151.07555	1.0
154.07816	1.4
155.07404	0.6
155.08557	3.0
157.06560	0.8
157.10107	2.3
159.08070	2.9
159.11700	5.8
161.05991	0.8
161.09633	2.0
163.03911	0.6
163.07564	0.7
165.07013	0.7
165.09132	0.8
167.07207	0.5
167.08592	1.2
169.06538	0.6
169.10139	6.7
171.08075	1.3
171.11661	1.2
172.08824	0.4
173.06052	0.5
173.09587	2.3
175.07529	0.7
175.11241	0.7
177.09186	1.6
179.07076	0.7
179.08536	0.6
180.09395	0.5
181.08734	0.7
181.10196	1.0
183.11624	0.8
185.09647	1.4
185.13261	0.6
187.07587	1.1
187.11189	6.2
187.12735	0.6
189.09161	1.5
191.06963	0.6
191.10670	0.7
193.10181	0.8
195.08131	0.5
195.11749	1.1
197.09636	1.4
199.11160	0.9
201.09021	0.9
203.07014	0.5
203.10704	1.0
205.12392	0.6
207.10101	0.6
209.09702	0.8
209.13382	0.7
211.11180	0.9
213.09215	0.9
213.12930	0.5
215.10712	0.9
217.12405	0.5
219.11827	0.5
221.13268	0.7
223.11211	0.7
224.11978	0.5
225.12880	0.5
227.14352	0.6
229.12199	0.7
231.11877	0.6
233.11729	0.6
235.11354	0.5
237.12733	1.7
241.12218	0.6
245.13469	0.5
247.11375	0.7
249.12944	0.8
255.13913	0.5
261.11023	0.5
261.16309	0.7
265.12439	0.6
271.06033	1.0
277.15891	0.9
279.17618	0.6
283.13373	0.5
289.15964	0.7
295.16833	0.8
303.05090	1.0
303.17535	0.5
305.15454	0.7
307.16830	0.6
317.15430	0.5
323.16672	0.8
329.15335	0.4
331.16779	0.7
335.16586	0.8
345.18848	0.6
349.18033	1.2
353.17422	1.0
363.19778	0.7
367.19159	1.2
373.18204	0.9
375.14511	0.4
377.17532	0.9
381.16873	0.5
381.21262	0.5
391.19189	1.9
393.16049	0.7
395.18640	1.2
399.22052	0.7
409.08939	0.5
409.20096	2.7
411.22189	0.4
419.18484	1.5
427.21188	2.6
437.19510	2.8
455.20618	5.0
465.18863	0.6
473.21695	7.2
474.22067	0.5
479.20291	0.5
483.20193	2.0
497.21982	2.0
499.23352	0.6
501.21185	7.6
502.21655	1.0
515.22632	1.2
519.22260	100.0
520.22614	8.7
525.20496	0.5
535.25281	0.5
543.22314	0.9
561.23492	0.9
572.36877	0.4
579.23712	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
54.39806	0.5
55.01874	2.1
55.05509	93.2
56.05852	1.4
56.47277	0.5
65.03941	0.7
67.05495	2.8
68.99792	1.0
69.03425	4.2
69.07031	0.8
69.31213	4.1
71.04966	0.8
79.05491	7.9
81.07054	25.2
83.04977	100.0
84.05311	1.7
91.05476	6.9
93.07034	4.3
95.04961	5.2
95.08604	6.8
97.02893	4.4
97.06541	2.2
99.04449	2.8
105.07025	7.8
107.04952	1.6
107.08602	4.4
109.06514	22.5
109.10216	0.9
111.04517	1.0
111.08068	2.1
115.05476	2.4
117.07017	2.8
119.04917	0.8
119.08575	6.8
121.02843	0.6
121.06523	4.0
121.10145	1.3
123.08057	8.7
125.05978	1.8
128.06204	5.4
129.07022	4.6
131.04929	1.5
131.08575	3.6
132.05743	0.7
133.06490	4.1
133.10129	3.7
135.08054	3.1
137.05969	24.9
139.07515	1.4
141.06993	5.7
142.07791	1.1
143.08560	9.2
145.06477	35.5
145.10101	2.2
146.06911	1.2
147.08031	4.9
149.02356	0.8
149.05954	1.6
149.09647	1.0
151.07535	2.8
152.06201	0.8
153.05620	0.9
153.07016	2.8
153.09140	0.6
154.07753	1.0
155.05991	0.7
155.07085	2.1
155.08563	5.6
156.09352	0.7
157.06491	5.0
157.10129	3.7
158.07254	1.3
159.04425	1.9
159.08022	6.4
159.11668	0.7
161.06036	2.1
161.09607	3.4
163.07544	3.3
165.06934	4.9
165.09151	1.6
166.07755	2.4
167.07051	1.6
167.08545	3.6
168.09259	1.3
169.06485	4.7
169.08766	1.0
169.10059	3.6
170.07222	1.9
171.08046	21.1
171.09471	1.2
171.11668	0.8
172.08661	1.3
173.06012	2.6
173.09653	1.7
175.07616	2.8
177.09135	0.9
178.07745	3.4
179.07103	0.9
179.08537	5.5
180.09303	1.2
181.06500	1.4
181.08696	1.2
181.10068	3.7
182.07269	2.5
183.08051	11.7
183.11722	2.4
184.08755	1.9
185.06036	3.1
185.09613	6.7
186.06831	0.9
187.07538	4.9
187.11130	1.3
188.08368	1.0
189.09091	3.2
190.07828	1.9
191.08490	2.7
192.09283	3.2
193.08647	1.0
193.10149	5.7
194.07310	0.9
194.10884	1.0
195.08051	7.4
195.11723	2.2
195.81770	0.6
196.08853	2.7
197.05939	1.5
197.09604	7.3
198.06741	1.3
198.10237	1.2
199.07518	4.4
199.11165	1.8
200.08362	1.2
201.09154	2.0
202.07806	2.6
203.08635	3.5
204.09288	3.0
205.06549	1.0
205.08514	0.9
205.10170	5.9
205.12030	0.8
206.10869	2.0
207.08055	3.3
207.11725	3.6
208.08778	2.1
209.09602	6.1
209.13194	1.0
210.10274	1.9
211.07593	4.2
211.11122	8.4
212.11830	0.7
213.09088	3.9
215.08597	1.6
215.10707	1.0
216.09367	2.2
217.10141	5.1
218.07414	0.7
218.10890	2.9
219.08139	4.9
219.11693	4.5
220.08818	3.6
221.09631	8.6
221.13243	1.5
222.10370	2.6
223.07600	2.1
223.11188	5.7
223.14673	0.7
224.08244	0.7
224.11855	1.0
225.09108	5.3
225.12709	2.7
226.09814	0.7
227.10696	1.9
228.11330	1.0
229.10107	2.0
231.08031	1.6
231.11734	1.9
232.08855	2.5
232.12502	1.7
233.09584	8.4
233.13283	2.6
234.10310	3.5
235.07635	0.8
235.11189	11.6
235.14845	0.9
236.08246	1.7
236.11880	3.8
237.09126	5.8
237.12759	5.8
238.10013	1.4
238.13161	0.9
239.10631	3.5
239.14291	1.5
241.10323	1.1
242.10931	2.5
243.09900	5.1
244.12422	1.0
245.09685	6.0
245.13283	1.3
246.10333	6.2
247.07399	0.9
247.11142	6.3
247.14836	2.1
248.08508	1.1
248.11893	1.7
249.09091	2.6
249.12727	6.0
250.09882	0.9
250.13405	1.7
251.10577	4.1
251.14305	3.3
253.12303	3.0
255.10196	1.2
256.08884	0.9
257.13263	2.1
258.10458	0.8
259.11234	5.1
260.11972	5.0
261.09140	1.6
261.12756	7.5
262.10062	1.1
262.13397	1.8
263.10663	6.9
263.14279	2.5
264.11346	2.1
265.08649	1.1
265.12436	3.2
265.15735	3.7
266.09384	1.0
267.09995	4.5
267.14056	0.9
269.11813	2.2
270.10339	2.0
271.11169	1.3
272.12039	0.8
273.11011	1.0
273.12842	2.1
274.13440	1.6
275.10690	2.0
275.14246	12.1
276.14801	1.2
277.12256	5.3
277.15854	3.1
278.12973	1.9
279.10175	5.9
279.13766	4.0
280.14639	0.8
281.11703	9.6
282.12482	1.3
283.09659	1.2
283.13354	2.0
285.12766	6.6
286.13397	1.1
287.10718	1.4
287.14203	1.0
288.11496	1.7
289.12225	2.3
289.15778	1.3
291.13699	3.1
291.17093	0.7
293.11938	1.6
293.15344	7.3
294.15808	1.0
295.10043	1.1
295.13406	2.8
297.11282	1.8
297.14960	0.6
299.12708	1.0
301.12439	1.0
301.15704	1.3
303.13782	10.6
304.14285	1.5
305.11755	2.9
305.15121	1.2
306.12137	0.7
307.13330	1.5
307.16837	0.9
309.11163	2.9
309.14844	1.6
311.12830	0.7
317.11938	1.2
317.15161	2.8
319.13419	1.2
319.16980	1.9
321.14877	6.5
322.15259	0.9
323.12762	4.3
324.13300	0.8
325.14615	1.3
327.13663	0.7
329.13922	0.8
330.14569	2.1
331.13220	0.8
333.14880	2.4
335.12772	1.0
335.16479	2.7
337.14316	1.4
337.18115	1.5
339.16125	1.7
341.13828	8.3
345.14868	3.4
346.15414	1.1
347.16403	1.7
349.14001	0.8
349.18054	1.4
351.15887	1.2
353.13797	0.8
353.17606	1.3
355.17068	1.7
357.14682	1.2
359.16342	3.1
361.14355	1.2
363.15775	3.9
363.19543	1.2
365.17697	1.2
373.17911	6.7
375.15842	2.1
375.19873	1.3
377.13367	1.0
377.14285	0.6
377.17615	4.4
379.15665	1.5
381.16898	8.1
382.17480	0.7
383.16394	4.5
391.14288	1.1
391.18976	12.7
392.19427	0.9
393.16904	2.4
393.21167	0.9
394.17386	0.8
397.16873	2.5
399.18768	1.1
401.17432	24.7
402.17719	2.4
403.15338	1.7
409.20099	2.2
415.19214	3.1
417.20718	3.1
419.18503	76.5
420.18860	7.1
421.16547	5.4
433.19852	3.0
435.21765	4.3
436.21872	0.8
437.13626	1.2
437.19595	22.4
438.19995	2.4
443.18423	7.8
444.18961	1.0
451.21100	2.3
461.19556	17.0
462.20016	1.8
479.20624	47.6
480.20926	6.8
495.20090	1.8
496.20712	3.5
497.21307	0.8
501.22546	1.5
519.24023	3.5
561.24689	2.1
579.26044	4.7
580.26306	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
54.39806	0.5
55.01874	2.1
55.05509	93.2
56.05852	1.4
56.47277	0.5
65.03941	0.7
67.05495	2.8
68.99792	1.0
69.03425	4.2
69.07031	0.8
69.31213	4.1
71.04966	0.8
79.05491	7.9
81.07054	25.2
83.04977	100.0
84.05311	1.7
91.05476	6.9
93.07034	4.3
95.04961	5.2
95.08604	6.8
97.02893	4.4
97.06541	2.2
99.04449	2.8
105.07025	7.8
107.04952	1.6
107.08602	4.4
109.06514	22.5
109.10216	0.9
111.04517	1.0
111.08068	2.1
115.05476	2.4
117.07017	2.8
119.04917	0.8
119.08575	6.8
121.02843	0.6
121.06523	4.0
121.10145	1.3
123.08057	8.7
125.05978	1.8
128.06204	5.4
129.07022	4.6
131.04929	1.5
131.08575	3.6
132.05743	0.7
133.06490	4.1
133.10129	3.7
135.08054	3.1
137.05969	24.9
139.07515	1.4
141.06993	5.7
142.07791	1.1
143.08560	9.2
145.06477	35.5
145.10101	2.2
146.06911	1.2
147.08031	4.9
149.02356	0.8
149.05954	1.6
149.09647	1.0
151.07535	2.8
152.06201	0.8
153.05620	0.9
153.07016	2.8
153.09140	0.6
154.07753	1.0
155.05991	0.7
155.07085	2.1
155.08563	5.6
156.09352	0.7
157.06491	5.0
157.10129	3.7
158.07254	1.3
159.04425	1.9
159.08022	6.4
159.11668	0.7
161.06036	2.1
161.09607	3.4
163.07544	3.3
165.06934	4.9
165.09151	1.6
166.07755	2.4
167.07051	1.6
167.08545	3.6
168.09259	1.3
169.06485	4.7
169.08766	1.0
169.10059	3.6
170.07222	1.9
171.08046	21.1
171.09471	1.2
171.11668	0.8
172.08661	1.3
173.06012	2.6
173.09653	1.7
175.07616	2.8
177.09135	0.9
178.07745	3.4
179.07103	0.9
179.08537	5.5
180.09303	1.2
181.06500	1.4
181.08696	1.2
181.10068	3.7
182.07269	2.5
183.08051	11.7
183.11722	2.4
184.08755	1.9
185.06036	3.1
185.09613	6.7
186.06831	0.9
187.07538	4.9
187.11130	1.3
188.08368	1.0
189.09091	3.2
190.07828	1.9
191.08490	2.7
192.09283	3.2
193.08647	1.0
193.10149	5.7
194.07310	0.9
194.10884	1.0
195.08051	7.4
195.11723	2.2
195.81770	0.6
196.08853	2.7
197.05939	1.5
197.09604	7.3
198.06741	1.3
198.10237	1.2
199.07518	4.4
199.11165	1.8
200.08362	1.2
201.09154	2.0
202.07806	2.6
203.08635	3.5
204.09288	3.0
205.06549	1.0
205.08514	0.9
205.10170	5.9
205.12030	0.8
206.10869	2.0
207.08055	3.3
207.11725	3.6
208.08778	2.1
209.09602	6.1
209.13194	1.0
210.10274	1.9
211.07593	4.2
211.11122	8.4
212.11830	0.7
213.09088	3.9
215.08597	1.6
215.10707	1.0
216.09367	2.2
217.10141	5.1
218.07414	0.7
218.10890	2.9
219.08139	4.9
219.11693	4.5
220.08818	3.6
221.09631	8.6
221.13243	1.5
222.10370	2.6
223.07600	2.1
223.11188	5.7
223.14673	0.7
224.08244	0.7
224.11855	1.0
225.09108	5.3
225.12709	2.7
226.09814	0.7
227.10696	1.9
228.11330	1.0
229.10107	2.0
231.08031	1.6
231.11734	1.9
232.08855	2.5
232.12502	1.7
233.09584	8.4
233.13283	2.6
234.10310	3.5
235.07635	0.8
235.11189	11.6
235.14845	0.9
236.08246	1.7
236.11880	3.8
237.09126	5.8
237.12759	5.8
238.10013	1.4
238.13161	0.9
239.10631	3.5
239.14291	1.5
241.10323	1.1
242.10931	2.5
243.09900	5.1
244.12422	1.0
245.09685	6.0
245.13283	1.3
246.10333	6.2
247.07399	0.9
247.11142	6.3
247.14836	2.1
248.08508	1.1
248.11893	1.7
249.09091	2.6
249.12727	6.0
250.09882	0.9
250.13405	1.7
251.10577	4.1
251.14305	3.3
253.12303	3.0
255.10196	1.2
256.08884	0.9
257.13263	2.1
258.10458	0.8
259.11234	5.1
260.11972	5.0
261.09140	1.6
261.12756	7.5
262.10062	1.1
262.13397	1.8
263.10663	6.9
263.14279	2.5
264.11346	2.1
265.08649	1.1
265.12436	3.2
265.15735	3.7
266.09384	1.0
267.09995	4.5
267.14056	0.9
269.11813	2.2
270.10339	2.0
271.11169	1.3
272.12039	0.8
273.11011	1.0
273.12842	2.1
274.13440	1.6
275.10690	2.0
275.14246	12.1
276.14801	1.2
277.12256	5.3
277.15854	3.1
278.12973	1.9
279.10175	5.9
279.13766	4.0
280.14639	0.8
281.11703	9.6
282.12482	1.3
283.09659	1.2
283.13354	2.0
285.12766	6.6
286.13397	1.1
287.10718	1.4
287.14203	1.0
288.11496	1.7
289.12225	2.3
289.15778	1.3
291.13699	3.1
291.17093	0.7
293.11938	1.6
293.15344	7.3
294.15808	1.0
295.10043	1.1
295.13406	2.8
297.11282	1.8
297.14960	0.6
299.12708	1.0
301.12439	1.0
301.15704	1.3
303.13782	10.6
304.14285	1.5
305.11755	2.9
305.15121	1.2
306.12137	0.7
307.13330	1.5
307.16837	0.9
309.11163	2.9
309.14844	1.6
311.12830	0.7
317.11938	1.2
317.15161	2.8
319.13419	1.2
319.16980	1.9
321.14877	6.5
322.15259	0.9
323.12762	4.3
324.13300	0.8
325.14615	1.3
327.13663	0.7
329.13922	0.8
330.14569	2.1
331.13220	0.8
333.14880	2.4
335.12772	1.0
335.16479	2.7
337.14316	1.4
337.18115	1.5
339.16125	1.7
341.13828	8.3
345.14868	3.4
346.15414	1.1
347.16403	1.7
349.14001	0.8
349.18054	1.4
351.15887	1.2
353.13797	0.8
353.17606	1.3
355.17068	1.7
357.14682	1.2
359.16342	3.1
361.14355	1.2
363.15775	3.9
363.19543	1.2
365.17697	1.2
373.17911	6.7
375.15842	2.1
375.19873	1.3
377.13367	1.0
377.14285	0.6
377.17615	4.4
379.15665	1.5
381.16898	8.1
382.17480	0.7
383.16394	4.5
391.14288	1.1
391.18976	12.7
392.19427	0.9
393.16904	2.4
393.21167	0.9
394.17386	0.8
397.16873	2.5
399.18768	1.1
401.17432	24.7
402.17719	2.4
403.15338	1.7
409.20099	2.2
415.19214	3.1
417.20718	3.1
419.18503	76.5
420.18860	7.1
421.16547	5.4
433.19852	3.0
435.21765	4.3
436.21872	0.8
437.13626	1.2
437.19595	22.4
438.19995	2.4
443.18423	7.8
444.18961	1.0
451.21100	2.3
461.19556	17.0
462.20016	1.8
479.20624	47.6
480.20926	6.8
495.20090	1.8
496.20712	3.5
497.21307	0.8
501.22546	1.5
519.24023	3.5
561.24689	2.1
579.26044	4.7
580.26306	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2604
Annotation	Phellophyll a
Peak:m/z	Relative Intensity
63.26945	1.4
66.80100	1.6
67.05489	1.9
81.07062	2.7
93.30502	1.4
95.04945	1.5
98.22593	4.5
109.10191	1.7
126.11618	1.6
221.10757	1.5
226.77782	1.8
361.87952	1.6
363.16156	1.8
377.17368	2.8
379.19403	3.1
389.17657	2.4
391.19415	3.3
393.20935	3.0
403.19550	2.2
405.16626	2.0
405.21234	3.3
406.17682	2.8
407.22699	2.3
420.19720	1.9
421.19949	10.2
433.16458	3.1
434.16953	2.2
435.18134	6.1
435.22635	4.4
436.22842	15.3
437.23245	3.3
445.19962	1.9
447.17200	2.6
447.22617	3.0
448.18579	2.9
449.19061	9.6
450.24445	2.5
462.20468	2.5
463.21185	11.9
464.22073	3.2
475.20947	11.9
476.22028	3.3
477.23132	4.6
491.24399	2.1
492.21756	18.9
493.22415	1.7
503.24579	2.2
519.23608	1.8
523.27277	12.0
533.25629	3.4
535.27179	3.9
547.23401	1.9
551.26489	32.9
552.26776	4.0
579.26007	100.0
580.26196	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.5
67.05507	0.9
69.07062	0.6
79.05500	0.7
79.40105	0.5
81.07047	0.8
84.97736	0.4
85.84988	0.5
87.25245	0.6
91.05464	1.0
93.07052	1.3
95.08607	1.1
98.22604	2.0
102.17160	0.5
105.07034	1.4
107.04923	0.5
107.08624	0.9
119.08574	1.1
120.67447	0.5
131.08553	0.6
133.10167	0.6
143.08508	0.6
145.10043	0.9
147.11581	0.5
157.10045	0.6
159.08038	0.6
167.07022	0.6
171.11720	0.7
174.02879	0.6
183.08116	0.9
189.05240	1.0
197.06010	0.6
197.13193	0.8
202.30156	0.5
209.09601	0.6
210.06644	1.0
211.07590	1.4
213.05460	0.5
215.07059	0.7
217.10301	0.5
220.08870	0.7
224.08318	0.7
225.09164	2.3
227.07031	2.0
228.07597	0.9
229.05014	0.6
235.11252	0.7
237.09126	1.5
238.06361	0.6
239.07089	1.7
241.04829	0.7
241.08351	0.7
242.09549	0.7
243.06371	0.9
243.10107	0.9
247.07742	0.8
248.08253	0.8
249.09094	1.3
250.09819	0.7
251.10471	0.7
252.07813	0.6
252.11449	0.7
253.08545	2.4
255.06587	1.5
256.07367	1.6
257.08197	1.0
259.05945	0.6
263.10706	1.6
265.08627	2.1
266.05777	0.8
266.09180	0.8
267.06522	2.3
267.10135	0.9
270.08890	1.2
271.09778	1.0
273.07336	0.6
277.08429	0.9
279.10196	1.7
280.10980	2.6
281.08069	2.1
281.11774	2.0
282.08994	0.9
283.06174	0.7
284.06854	2.4
285.07584	3.2
285.10638	0.6
286.08221	0.6
287.09314	1.0
289.06921	0.7
291.10159	1.7
293.08337	1.0
293.11649	1.2
294.08765	0.7
295.09872	1.3
295.13348	4.3
296.13983	0.7
297.08066	0.8
297.11307	1.6
298.08307	1.5
298.11417	0.6
299.09143	3.9
300.09790	1.0
301.07059	0.9
301.10397	0.6
302.08063	0.8
303.08667	2.3
304.09442	2.1
308.10544	1.7
309.11234	4.4
310.11639	0.9
311.09088	0.8
312.13696	0.6
313.10660	3.4
314.11407	1.4
316.09448	1.2
317.10339	1.2
318.11108	2.5
323.12836	3.8
324.13779	1.9
325.07025	1.1
325.10745	2.0
325.14243	1.1
327.15955	1.2
331.11664	1.0
340.09277	1.0
340.13159	1.9
341.13867	4.2
345.13483	1.2
351.12100	2.7
355.15378	5.7
356.16159	5.4
363.12088	5.1
372.15744	1.0
378.14279	3.3
379.11383	2.7
387.18130	3.8
394.13904	4.6
409.16217	24.8
410.16681	1.6
579.29260	100.0
580.29529	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
57.64791	0.5
57.85880	0.4
67.05508	0.8
67.50482	0.4
69.07076	1.0
79.05492	0.9
81.07063	1.5
91.05484	1.3
93.07041	1.4
95.08596	1.1
105.07022	1.8
107.08553	0.7
109.10162	0.9
119.08602	0.7
121.10109	0.7
131.08559	0.6
133.10120	0.6
135.11722	0.6
145.10170	0.8
147.11656	0.5
159.87779	0.5
165.06941	0.6
167.07048	2.2
181.06554	0.7
183.08058	0.6
187.63544	0.5
193.06645	0.7
197.06003	0.9
197.09598	0.6
201.09137	0.6
202.02106	0.5
202.10114	0.6
203.17964	0.5
205.06703	0.5
210.06813	1.7
211.07553	2.1
220.08826	1.0
221.09555	0.7
225.09055	2.7
226.09749	0.5
227.07104	1.3
228.07866	0.7
235.11230	1.2
237.05173	0.5
237.09113	1.2
238.06305	0.7
239.07021	1.4
240.07639	0.5
241.05016	1.3
241.08601	0.7
241.96321	0.5
242.09457	0.6
242.12244	0.6
243.06476	0.9
248.08264	1.1
249.09158	1.7
250.09975	0.7
251.06877	0.7
251.10744	0.7
252.07837	0.5
252.11420	0.7
253.08665	1.6
255.06635	1.1
256.07315	2.6
257.08109	0.7
258.09058	0.6
261.09116	0.5
263.10574	3.9
264.11340	1.1
265.08618	3.7
265.11487	0.5
266.05835	0.5
266.09238	1.1
267.06573	0.6
267.10175	0.9
269.11636	0.7
270.08926	1.1
271.06107	1.1
271.09723	2.1
272.06775	0.9
277.08524	3.0
278.09418	1.0
279.10153	1.3
280.10968	3.5
281.08188	1.0
281.11774	1.4
282.08838	0.7
283.05923	0.6
284.06726	1.5
285.07663	1.4
285.11273	1.7
286.08618	0.5
287.06024	0.5
287.09241	1.3
288.06332	0.6
291.10217	1.6
292.10959	1.0
293.08105	1.7
293.11453	0.9
294.08954	1.0
294.12482	0.8
295.13300	5.3
297.11282	2.1
298.08426	0.9
299.09106	4.0
300.09924	1.0
302.07590	0.6
303.08752	1.7
304.09515	1.0
308.10443	1.9
309.11206	4.2
310.08182	0.7
312.13614	0.7
313.10745	2.9
314.11496	0.9
316.09277	0.6
317.10156	2.2
318.11148	3.1
323.12714	6.9
324.13556	3.3
325.06891	9.4
325.10748	2.5
325.14243	1.0
326.07132	0.6
326.11063	0.5
327.15878	0.7
331.11719	1.7
337.06693	0.6
338.15271	0.6
340.09317	4.6
340.12943	1.0
341.13806	1.5
345.13406	1.4
355.15448	9.5
356.16025	3.6
357.13266	0.9
363.12027	7.8
372.15894	1.0
377.13608	1.0
378.14392	3.8
379.11334	0.7
379.15555	0.8
387.18015	7.0
394.13937	1.3
409.16214	36.8
410.16544	2.5
419.16931	0.5
427.17474	0.7
450.18973	1.3
579.29266	100.0
580.29541	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.05505	3.2
57.07062	0.8
65.03940	0.4
67.05502	6.1
69.06727	0.4
69.07068	4.4
75.05272	0.3
76.09039	0.3
79.05492	3.6
81.07058	8.3
83.08608	1.6
91.05475	8.2
91.05904	0.1
91.53684	0.3
92.06300	0.3
93.07042	6.7
95.04942	0.5
95.08604	14.3
96.08932	0.4
97.10193	0.4
101.33544	0.3
103.05485	0.7
105.07027	27.1
106.07332	0.7
107.04942	0.8
107.08588	9.2
109.06489	0.5
109.10153	14.5
110.10438	0.4
111.08076	0.3
115.05463	0.5
117.07037	1.3
119.08577	26.0
120.08829	0.6
121.06522	0.6
121.10136	7.6
122.10924	0.4
123.04438	0.6
123.11704	6.3
129.07007	0.5
131.04910	0.3
131.08556	2.8
133.10127	17.0
135.04347	0.7
135.08160	0.3
135.11674	2.8
136.05159	1.0
137.05951	0.8
138.06744	0.8
139.03900	1.2
143.08511	0.4
145.06467	0.4
145.10117	3.2
146.10834	0.4
147.11681	26.4
148.05203	2.8
148.12498	1.5
149.05994	0.3
149.13251	3.7
151.03900	0.8
151.07510	1.4
153.05450	1.9
154.06201	0.4
157.06520	0.4
157.10129	0.5
159.11670	1.6
160.12488	1.3
161.06013	0.5
161.13255	19.7
162.13644	0.7
163.07487	0.4
163.14795	0.7
164.08313	0.6
165.05443	0.5
166.06244	3.7
167.07079	1.4
171.11719	0.4
173.13252	0.6
174.14052	0.7
175.11067	0.4
175.14825	1.8
177.05493	0.5
177.16389	0.6
179.07008	0.8
179.08546	0.3
180.07732	0.4
181.08592	29.7
182.08902	0.9
187.07637	0.4
188.15604	0.6
189.09091	0.6
189.16383	7.0
191.07024	2.8
193.08612	2.9
195.10132	1.3
203.17944	100.0
204.11433	0.5
204.18675	18.8
205.08568	0.7
205.12238	1.0
205.19301	1.4
207.10146	1.3
209.11708	0.7
219.10110	0.5
219.13834	0.7
220.14629	2.0
221.11656	2.2
225.09250	0.3
233.11644	0.4
235.13281	2.7
236.13889	0.6
237.14816	0.4
245.11667	0.6
247.13275	0.6
249.14838	2.4
251.16412	7.7
259.13226	2.2
261.14856	0.9
285.14969	0.6
343.15436	0.3
355.15402	0.4
356.16089	0.4
357.17065	0.9
375.17892	1.2
377.19714	0.4
387.17969	0.6
402.42807	0.3
411.29037	0.7
427.21103	1.5
455.23337	0.4
551.39282	0.3
561.36597	0.4
579.29144	0.7
579.37402	5.0
580.37543	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
55.05513	4.8
55.12513	0.4
55.36760	0.5
57.07078	1.3
65.03924	1.0
67.05504	8.4
69.07072	6.0
69.15384	1.5
69.15793	2.7
71.08636	0.5
72.06874	0.5
77.37934	0.5
79.05499	5.8
80.94823	1.2
81.07055	15.6
82.33613	0.5
83.08609	2.6
91.05482	12.5
93.07044	9.7
94.07322	0.5
95.04967	0.7
95.08608	18.1
97.10172	1.0
103.05490	0.9
105.07033	38.3
106.07326	0.9
106.15437	0.5
107.04974	0.9
107.08593	13.4
109.06480	1.3
109.10157	16.9
109.43138	0.5
117.07023	2.4
119.08578	34.6
120.08885	0.8
121.06499	1.4
121.10149	9.7
122.10944	0.5
123.04412	1.4
123.11704	12.2
127.03948	0.5
129.06999	0.8
131.08578	3.4
133.06496	0.7
133.10133	19.8
135.08051	0.6
135.11700	3.9
136.05180	1.7
137.05966	2.7
137.13264	1.0
138.06747	0.7
139.03906	2.4
145.06453	0.9
145.10107	4.2
147.07997	1.1
147.11682	33.2
148.05156	5.5
148.12392	2.3
149.02113	0.5
149.13272	7.8
151.03850	1.4
151.07530	4.7
153.05495	4.7
154.06241	0.7
159.11707	2.1
160.12480	2.1
161.05959	0.6
161.09604	1.1
161.13258	29.9
162.13667	1.9
163.14810	1.3
164.08311	2.2
165.05424	1.6
166.06273	9.4
167.07037	2.5
169.08598	1.1
173.13319	0.5
174.14081	0.7
175.07564	1.4
175.14850	3.4
177.05466	0.5
177.12787	1.0
177.16365	1.0
179.07074	2.1
180.07806	1.1
181.08597	71.8
182.08937	2.3
187.07607	0.9
189.09135	0.8
189.12801	0.7
189.16391	11.6
191.07056	5.6
193.08611	11.9
195.10182	3.0
197.09776	0.6
203.17957	100.0
204.18707	28.0
205.08643	1.0
205.12253	2.2
205.19244	2.6
207.10141	2.2
209.11717	2.1
216.11414	0.5
217.08633	0.8
218.13039	0.8
219.10114	1.3
219.13835	2.1
220.14581	5.7
221.11748	7.9
221.15179	1.0
231.10178	0.9
235.13330	4.2
236.13861	1.0
237.14807	1.4
245.11679	0.8
247.13275	2.1
249.12593	0.6
249.14899	6.4
251.16428	22.8
252.16922	1.3
259.13348	4.9
261.14951	4.1
263.16324	0.6
275.05515	1.3
287.16278	1.0
299.89026	0.5
327.19809	0.8
341.20688	0.6
357.16977	0.9
371.18661	0.8
375.17941	1.9
389.19330	0.7
403.21228	0.8
410.15958	0.7
411.28851	0.8
427.21039	2.2
455.23654	0.6
543.30310	0.8
579.36731	6.9
586.83905	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.05514	8.8
57.07051	1.3
60.89734	0.7
65.03939	2.4
65.67180	0.7
66.17440	0.8
67.05505	21.5
69.03418	2.1
69.07075	8.3
71.04961	0.8
77.03942	0.9
79.05495	14.1
79.05958	0.9
81.00348	0.8
81.06577	1.5
81.07056	25.4
83.04986	13.0
83.08625	2.8
91.05480	17.2
93.07043	37.4
95.04975	5.5
95.08605	30.9
95.09219	0.8
96.08950	0.9
97.06532	1.5
97.10183	1.0
98.23340	1.9
103.05510	1.0
105.04521	1.3
105.07034	24.8
107.04945	3.0
107.08596	18.2
109.06525	2.5
109.10158	16.1
111.04440	6.1
111.08078	9.8
115.05479	2.7
117.07014	7.5
119.08585	23.2
120.08827	0.7
121.06530	6.2
121.10137	17.0
123.08070	4.5
123.11699	7.6
125.09647	1.0
128.06235	3.4
129.07010	7.5
130.07802	1.2
131.08562	12.4
132.33249	0.8
133.06476	2.5
133.10133	26.6
135.08043	6.4
135.11720	7.5
137.05966	0.9
137.09653	2.2
137.13251	1.2
139.07536	4.9
141.06984	5.6
141.09070	1.5
142.07751	4.3
143.08568	12.7
144.09297	1.1
145.06526	4.2
145.10121	15.2
146.07280	0.8
146.10962	1.1
147.08052	5.0
147.11688	12.3
148.12114	1.1
149.09627	5.2
149.13293	3.5
153.07019	1.8
154.07713	1.2
155.08556	7.5
156.09329	4.8
157.06543	3.9
157.10118	13.9
158.07253	1.7
159.08049	4.5
159.11708	11.9
161.09615	4.8
161.13268	4.0
163.11154	6.6
165.07014	3.8
166.07787	1.8
167.08594	5.8
168.09357	2.1
169.10124	9.8
170.10861	2.4
171.08051	4.3
171.11691	11.1
172.08846	1.6
173.09572	4.4
173.13239	5.7
175.11153	4.3
175.14908	1.4
178.07773	1.9
179.08565	4.5
180.09340	2.8
181.10100	7.8
182.10912	2.3
183.08105	2.5
183.11678	9.9
184.12440	1.2
185.09633	5.9
185.13232	8.2
186.10364	0.9
187.11209	4.2
187.14856	2.9
189.12744	2.8
191.08568	2.4
191.10484	0.8
192.09348	2.6
193.10110	6.9
194.10933	2.8
195.08076	4.0
195.11684	8.3
196.12402	2.3
197.09663	3.4
197.13264	10.1
198.10399	1.1
198.13908	1.1
199.11209	5.9
199.14845	5.3
201.12740	5.1
201.16640	1.0
203.08560	1.4
204.09387	1.7
205.10120	4.1
205.12054	1.5
206.10881	3.1
207.07988	1.6
207.11736	8.1
207.13559	1.0
208.08878	1.2
208.12402	1.8
209.09650	4.1
209.13240	7.6
210.10368	1.4
210.13887	1.1
210.54190	0.9
211.11205	3.2
211.14827	6.0
212.15375	0.7
213.12801	4.9
213.16374	2.0
215.08627	1.6
215.14394	3.4
217.10164	3.6
218.10931	1.9
219.11737	5.9
220.12431	2.2
221.09671	2.2
221.13229	6.7
222.13875	2.0
223.11206	3.5
223.14737	5.0
224.11919	1.2
225.12741	4.9
225.16428	2.6
227.14340	6.1
227.17764	1.3
229.10123	2.5
230.10963	1.9
231.08147	0.9
231.11714	4.1
231.13737	1.0
232.12497	3.6
233.09663	1.8
233.13307	6.5
233.15384	1.5
234.13908	1.7
235.11172	3.7
235.14827	5.5
236.11812	0.8
237.12749	4.5
237.16389	4.5
238.13441	0.8
239.14374	5.1
239.17924	2.5
241.15900	2.7
243.11711	3.2
244.12547	2.4
245.09644	1.5
245.13295	5.2
245.15547	1.9
246.13892	1.4
247.11186	2.9
247.14769	6.0
247.16891	0.9
248.15395	1.2
249.12784	3.1
249.16357	5.0
250.17291	0.7
251.14412	3.2
251.17993	3.1
253.15944	2.4
253.19539	1.4
255.11707	2.0
255.17439	1.4
256.12479	2.0
257.13251	4.4
257.15500	2.1
258.13879	1.9
259.11020	1.3
259.14822	3.3
260.12033	1.1
260.15616	1.8
261.12772	2.6
261.16397	5.2
262.13681	1.8
262.16837	1.0
263.14389	3.1
263.17914	3.3
265.15775	3.7
265.19568	1.8
267.11761	1.4
267.17422	1.9
267.21161	0.9
269.13290	2.0
269.18976	1.0
270.14026	1.8
271.11423	1.2
271.14862	3.9
272.15527	1.1
273.12814	3.2
273.15988	3.6
274.13712	0.9
274.17050	1.2
275.14368	3.2
275.17950	3.5
276.18411	1.5
277.15942	4.3
277.19360	2.1
279.17548	2.9
279.20956	0.8
281.18958	1.4
283.14685	2.7
284.15582	1.3
285.13071	1.6
285.16470	3.2
286.17059	1.5
287.14267	2.5
287.17938	3.7
288.15289	1.2
288.18683	1.1
289.15887	2.9
289.19351	1.8
290.16611	1.0
290.20029	1.4
291.17578	3.3
291.20880	1.8
293.19052	2.8
293.22488	1.1
295.17395	1.0
296.15622	1.3
297.16409	3.2
298.17267	1.1
299.14319	2.0
299.17947	2.5
301.15961	2.8
301.19595	3.7
302.16528	1.0
303.17499	3.4
303.21082	2.9
304.18176	1.3
304.21835	1.0
305.19110	2.3
305.22534	1.6
307.20676	1.5
307.24155	2.6
311.17712	1.6
312.18643	1.1
313.16174	1.5
313.19504	3.2
315.17496	3.0
315.21155	3.1
316.21683	1.1
317.19034	3.2
317.22736	3.5
318.19788	1.3
319.20676	3.3
319.24133	1.0
321.22180	2.7
325.19540	2.1
327.17584	1.9
327.21222	2.0
328.18228	1.2
329.19022	4.6
329.22693	2.2
330.19708	1.3
331.20715	3.0
333.22183	3.3
333.25861	1.0
335.23657	10.6
336.24368	0.9
338.20428	1.0
339.20944	1.4
341.19098	1.9
341.22717	1.9
342.19781	1.8
343.20593	2.0
344.21219	1.4
345.22110	3.0
347.23703	3.1
353.22733	2.1
355.20480	1.9
355.24274	1.5
357.22226	2.0
357.26071	1.2
359.23636	1.5
361.25449	1.6
365.22644	1.6
367.24289	1.9
368.25046	1.4
369.22046	1.4
371.23697	2.0
372.54260	1.0
373.25558	3.7
379.24115	1.1
381.25925	1.2
383.23660	2.8
385.25366	4.2
387.27042	1.4
395.23538	1.3
397.25290	3.1
399.26898	1.7
409.16226	1.2
409.25153	1.1
415.26355	1.7
423.26334	1.5
437.28113	1.8
439.30533	4.8
440.30811	2.0
443.25897	3.2
445.27423	1.6
457.27158	4.2
459.28918	1.3
465.31830	4.1
467.33258	2.6
469.34952	1.4
471.29590	1.6
480.33939	3.4
519.32318	1.3
523.32098	1.6
533.37610	2.5
536.33356	1.1
537.34241	1.8
543.36145	1.6
551.38928	8.2
552.39313	1.7
561.37213	22.0
562.37634	2.1
579.29919	4.3
579.38287	100.0
580.38580	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
55.05503	1.0
57.07082	1.0
67.05502	2.2
69.07075	2.5
69.39880	5.0
81.07063	2.9
83.08601	1.1
89.03925	7.5
91.05499	1.7
93.07048	2.2
95.08606	3.3
97.10073	1.0
105.07073	4.6
106.04187	1.4
107.08620	2.2
109.10198	1.4
113.34656	0.9
117.03379	26.1
119.08590	2.5
123.11750	1.2
133.10155	2.3
134.03674	1.7
135.04425	1.8
135.11609	1.0
145.02849	56.6
145.10150	1.2
146.03172	1.3
147.11681	2.1
149.05983	9.7
149.13248	1.4
153.05479	3.4
161.13290	2.9
163.03967	1.0
167.07045	11.3
177.05469	100.0
178.05780	2.5
181.08591	2.1
186.05518	1.6
189.16434	1.2
203.17946	5.4
204.18698	1.7
220.81081	0.9
221.11668	2.2
235.13292	5.1
283.34244	0.9
298.07413	1.0
377.19559	1.2
446.15375	0.9
516.86273	1.0
561.37878	2.6
579.38599	10.4
580.38800	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.3
65.85979	2.7
69.03436	3.9
70.61604	5.5
71.04988	12.5
79.05503	3.1
85.02898	17.0
91.05419	2.6
97.02892	2.6
105.07024	3.5
107.08562	3.2
109.06493	3.7
111.04406	2.9
117.06989	3.1
117.98586	2.4
119.08608	3.8
123.04396	3.4
127.04018	2.6
129.05473	4.9
135.08096	2.5
137.02319	2.9
137.05986	3.5
139.03845	3.3
143.08592	2.6
147.06500	2.5
149.70462	2.4
153.01894	3.8
155.08524	3.6
157.10173	2.9
159.11777	4.4
161.09669	3.0
169.10109	3.4
173.09584	5.6
185.09608	3.2
187.11198	3.2
271.06006	7.1
272.06439	6.4
273.07391	2.3
273.29602	2.6
287.05515	9.2
303.04996	55.1
303.08179	2.0
315.05099	5.4
345.06140	5.2
369.05881	3.4
399.07196	3.0
403.19370	3.2
413.17908	3.1
423.21487	3.3
439.21167	9.4
441.22855	8.6
457.22034	3.1
467.20749	7.7
485.21719	60.8
486.22409	4.3
503.22653	23.6
527.22784	30.7
544.22552	4.5
580.22327	100.0
581.22009	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01033	1.5
65.03931	1.7
67.05495	2.6
69.03422	6.6
71.01325	1.4
71.30981	2.3
73.76437	1.5
79.05479	7.7
80.27422	1.5
81.07059	27.9
82.07376	1.6
84.10965	1.6
85.02896	4.3
91.05462	6.9
93.07038	3.9
95.04951	2.0
95.08622	2.4
97.02897	3.1
97.06512	6.8
105.07039	9.5
107.08569	5.7
109.06519	18.4
109.33353	1.5
111.04445	2.9
113.02343	2.3
115.05434	2.8
117.06979	6.2
119.04949	2.3
119.08559	7.0
121.06473	3.3
123.04420	3.2
123.08125	3.0
128.06200	4.6
129.06999	8.8
131.08543	6.8
133.06471	4.9
133.10104	5.4
135.04387	2.0
135.08022	5.4
137.04990	2.6
137.05980	42.9
137.09552	2.1
138.06302	1.9
139.03786	1.8
139.07489	3.6
141.07047	2.3
142.07726	2.1
143.08592	11.8
145.10112	7.9
147.08006	5.9
149.09581	2.7
154.07768	1.9
155.08521	6.0
157.10135	8.6
159.04143	5.0
159.08058	15.0
159.11696	5.4
161.05974	2.0
161.09581	5.4
162.26477	1.7
163.07541	2.7
165.06976	2.1
167.07069	2.3
167.08426	2.7
169.10172	8.9
171.08174	3.2
171.11644	3.3
173.05971	1.8
173.09694	7.4
175.07578	2.6
175.11295	8.0
179.08536	3.5
181.10153	3.7
183.08035	2.8
183.11615	5.3
185.09593	5.4
187.07590	2.3
187.11160	10.3
189.09084	10.8
193.08540	2.8
193.10107	2.4
195.07953	2.8
195.11714	2.0
197.09575	4.3
199.07407	1.7
199.11092	2.4
201.12964	2.4
203.06741	1.8
203.10686	3.0
203.14255	2.1
204.07515	2.9
205.08476	2.3
206.10936	1.7
207.11707	3.0
209.09657	3.5
209.13293	2.5
211.11101	3.2
213.09050	1.9
213.12685	2.4
215.10551	3.4
217.08255	3.6
219.10056	3.5
220.12569	1.8
221.09550	2.4
222.10596	2.0
223.11148	3.0
224.11395	1.7
225.09029	1.9
225.12724	2.1
227.10619	1.8
227.14169	1.5
229.12283	2.9
237.12598	4.5
239.10670	2.5
239.14282	2.6
241.11960	2.0
247.11154	2.4
249.12682	2.1
251.10512	1.7
265.12054	2.1
287.05359	2.6
307.13184	2.1
383.14343	4.8
399.19528	1.8
401.16104	1.9
403.18948	2.3
409.19815	4.5
419.18088	1.9
421.20013	6.3
423.21573	4.5
429.20660	2.1
431.18457	2.9
435.21805	3.0
437.22842	5.5
439.21042	6.6
445.19678	3.1
446.07346	1.7
447.21399	1.8
449.19556	12.1
451.21008	7.3
452.31509	1.8
455.20267	6.5
463.21167	7.6
465.22537	10.4
467.14636	2.6
467.20706	36.3
468.20703	4.5
469.21906	4.2
473.19278	4.2
481.22363	15.4
483.23889	8.0
485.21658	21.6
491.20624	14.2
497.21799	1.9
499.22919	6.7
503.22137	2.3
509.21671	72.5
510.21741	6.4
514.21362	2.6
527.22705	37.2
528.22821	2.3
545.23853	54.9
546.23895	3.9
580.21979	70.0
581.23474	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75874	0.9
53.03932	1.7
55.05508	5.6
67.05495	2.8
69.13409	0.7
69.74514	4.1
77.03946	0.9
79.05489	1.4
79.82850	0.8
80.05785	0.8
81.07071	2.5
83.04977	4.6
91.05460	1.1
93.07038	2.2
95.04964	2.6
95.08611	2.0
98.23314	1.6
99.04535	0.9
103.05464	54.5
104.05827	1.2
105.07057	1.3
107.08578	1.0
109.10169	1.3
119.08540	1.1
121.01917	0.8
121.10160	1.8
126.55399	0.8
131.04922	100.0
132.05228	3.9
133.10039	1.0
149.13335	1.0
159.86049	0.9
171.43262	0.9
175.69998	0.9
224.19228	1.0
229.08623	1.1
240.07849	1.7
241.08665	1.1
242.16025	0.9
243.06409	1.4
253.08632	1.6
255.06589	1.0
262.22583	1.4
263.10693	1.3
266.09555	0.8
267.06668	1.7
267.10162	1.0
269.08096	1.4
269.11578	0.9
270.09042	1.1
273.07449	0.9
274.08224	1.1
279.10199	2.0
280.10858	1.8
281.08109	3.1
282.08868	2.4
283.05844	1.3
283.09528	1.4
285.07602	1.3
287.09045	1.1
291.10159	2.1
293.11710	1.4
294.12326	1.9
295.09756	1.5
295.13300	4.3
296.10498	1.5
297.07697	1.6
298.08252	2.6
299.09161	2.9
301.10748	1.7
302.08130	1.2
302.11407	1.2
305.11795	1.1
306.12335	1.4
307.09674	1.9
307.12955	1.0
308.10477	1.6
309.11237	2.2
309.14850	3.1
312.09967	2.6
313.10754	4.9
314.11420	2.3
316.09311	1.7
317.10263	3.5
318.10971	5.7
322.12039	2.1
323.12689	8.2
324.13461	2.1
326.11288	1.3
327.08578	10.0
327.12338	4.0
327.16025	1.0
328.13040	2.0
330.11044	1.8
331.11777	2.0
332.12524	7.0
333.13205	1.7
337.14279	11.5
338.15024	6.5
339.12173	4.1
339.15659	1.8
341.17538	4.9
342.10904	13.8
342.14774	1.2
345.13214	3.8
350.11716	1.2
354.14441	2.3
354.27228	1.5
355.15454	8.6
359.14865	4.0
369.16980	16.3
370.17712	15.5
371.14594	2.1
381.13251	1.8
386.17169	2.5
401.19571	61.0
402.20062	5.6
440.69998	0.9
475.17831	1.1
531.16193	1.2
531.23730	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01861	5.2
55.05513	6.0
57.03432	7.4
61.02921	3.9
67.05512	6.1
69.03431	11.3
69.07062	3.3
69.76101	5.8
73.02915	12.7
79.05492	6.9
81.03412	3.2
81.07058	17.0
83.04983	6.5
83.08595	3.5
85.02901	20.1
87.04459	1.6
91.05473	8.6
93.07040	13.1
95.04939	2.5
95.08608	22.2
97.02898	19.6
97.06544	1.5
97.10170	2.9
99.04437	2.9
103.03934	1.6
105.07032	11.2
107.04944	1.7
107.08597	14.7
109.06503	4.0
109.10138	9.3
111.04417	2.1
111.08035	1.9
115.03932	7.1
117.07012	2.4
119.08578	6.7
121.06500	3.3
121.10136	15.4
123.04427	2.0
123.08052	3.3
123.11718	1.5
125.09613	1.4
127.03925	9.0
127.07563	1.7
129.06985	2.9
131.08589	6.3
133.04961	11.6
133.10146	8.0
135.04446	1.7
135.08055	3.6
135.11690	13.2
137.05980	4.0
139.03900	2.0
139.07544	1.7
142.07765	2.1
143.08514	2.9
145.05003	5.7
145.10132	7.2
147.08055	1.3
147.11668	17.0
149.09641	2.2
149.13249	37.8
150.13675	1.5
151.07440	1.3
151.11180	8.1
153.09148	1.3
155.08548	2.9
157.10135	4.4
159.07999	2.4
159.11668	3.9
161.09669	1.8
163.03902	1.4
163.05975	4.1
163.11217	1.9
165.12772	2.5
169.10083	2.5
171.11668	3.7
173.09665	2.6
175.11206	3.4
177.16377	78.3
178.16708	3.1
179.08536	1.3
181.05104	1.2
181.10071	2.9
181.12239	2.1
183.11610	1.7
185.09669	2.0
185.13184	1.6
185.31783	1.5
187.11191	2.5
187.14827	5.5
189.12753	1.6
193.10393	2.0
193.12204	9.2
195.11652	2.5
195.13585	1.5
197.13351	2.3
203.10640	1.4
203.17827	1.3
205.10220	1.6
205.15891	33.7
207.11697	2.1
209.13335	2.0
211.11304	1.5
211.13199	2.0
213.14923	1.5
223.16917	43.8
224.17152	1.8
229.14331	6.2
231.13744	1.3
233.13223	2.1
233.15373	4.7
241.06972	2.7
245.13191	1.6
251.16388	19.9
252.16714	1.5
259.08081	1.9
260.53754	1.5
262.51013	1.3
269.17456	100.0
270.17795	5.0
271.09198	1.4
271.14890	1.4
289.10367	1.4
300.42697	1.2
301.21661	1.6
329.21030	2.0
347.18387	1.4
347.22406	6.7
355.18936	2.9
360.86298	1.2
365.19257	2.0
365.23248	12.6
366.23474	1.4
410.09158	1.5
459.25296	15.3
460.26028	1.4
473.21738	1.8
500.23764	1.2
509.25156	2.2
527.26129	1.5
552.89471	1.3
580.19977	1.6
580.28406	6.0
580.35767	1.5
581.22736	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.0
67.05503	5.3
69.03432	99.4
69.68935	16.9
79.05499	5.2
81.07055	11.5
85.06583	4.0
93.07047	9.6
95.04941	5.1
95.08609	11.6
97.06525	3.6
98.23335	5.6
99.45124	4.1
105.07033	7.9
105.10345	3.7
109.06522	10.9
109.10143	6.5
111.08070	4.8
117.07031	5.0
121.06486	4.3
121.10161	4.5
123.08102	12.6
127.96661	4.2
129.07051	6.4
131.08594	6.7
133.06522	4.6
137.05952	9.5
139.07547	94.4
139.08592	6.2
143.08574	7.5
145.06526	5.4
147.08099	6.1
151.07541	8.5
155.08557	9.0
157.10103	5.7
159.08066	4.2
161.09595	6.4
169.10159	7.1
171.08073	13.6
171.11725	4.5
173.09630	8.5
173.19429	4.1
181.10156	7.2
183.11749	4.2
184.07423	6.1
189.09126	4.7
193.10153	6.7
195.08025	6.3
197.09631	4.4
199.11238	4.1
201.09050	3.9
205.10136	5.7
209.09467	5.3
209.13329	3.7
211.11096	5.5
219.11862	6.0
223.11272	5.4
237.12714	9.7
241.12366	4.9
247.11195	6.0
258.20242	4.3
263.14362	8.0
265.12256	9.1
267.94577	4.7
273.12631	5.0
281.15378	6.4
283.13351	11.4
291.13745	15.9
307.16919	6.0
309.14838	10.8
333.14703	4.9
347.19888	4.7
349.18066	4.0
351.15863	7.1
357.18436	7.8
365.21271	4.9
369.16696	10.2
370.17157	5.1
375.19543	10.7
376.20215	5.6
385.17786	9.6
387.17874	10.6
393.20535	11.5
399.19449	3.8
401.19855	5.3
403.18896	27.6
410.65045	3.9
413.19513	5.6
417.20911	4.9
421.20135	100.0
422.20328	8.6
435.21622	8.4
435.98569	4.9
437.23505	6.5
439.21188	67.0
440.21774	5.1
445.19977	11.6
454.47333	5.1
457.22247	20.1
463.20990	36.1
475.23074	15.2
481.22150	66.6
482.22354	10.1
499.23279	37.8
517.24219	11.5
580.30988	20.6
581.19427	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.4
55.01881	12.5
55.05508	31.4
57.03429	24.5
61.02924	8.8
67.05508	100.0
67.36776	4.1
69.03419	12.0
69.07070	59.3
70.71282	4.0
71.04992	10.9
71.29291	6.2
73.97311	3.5
76.20333	3.4
79.05489	64.1
80.72478	3.7
81.03422	11.5
81.07056	87.1
83.04979	14.2
83.08614	11.1
85.02914	10.0
85.06516	9.5
86.21041	4.2
91.03989	4.8
91.05486	59.5
93.07042	54.6
95.04963	17.7
95.08607	47.3
97.02882	16.1
97.06528	23.8
97.10186	7.1
103.03965	5.1
105.07021	51.9
107.04971	12.6
107.08601	36.5
109.06535	12.6
109.10152	39.4
111.08083	6.2
117.07017	18.0
119.08565	28.4
121.06488	8.3
121.10137	10.8
123.08089	13.2
123.11702	8.2
125.09669	6.9
127.03941	8.1
129.05446	5.6
129.07008	11.6
131.08589	23.4
133.10115	36.7
135.08052	8.2
135.11674	13.9
137.09653	13.2
143.08557	8.2
145.10124	20.6
147.11674	12.1
149.09599	16.7
149.13271	6.8
155.08560	5.4
157.10127	10.8
159.11656	22.4
161.09706	5.3
161.13283	10.5
163.11183	12.2
169.10178	7.9
171.10208	10.1
171.11627	6.6
173.11723	12.4
173.13313	9.8
174.84750	4.8
177.12767	5.7
179.14313	5.8
197.13327	6.2
211.13135	4.4
229.14301	24.7
243.15880	10.4
253.18050	7.2
255.15907	5.7
257.19092	10.0
268.07361	4.4
275.20084	45.2
276.20349	4.0
292.37848	4.6
326.54257	4.1
349.23724	74.1
350.24274	8.4
367.24716	9.1
484.94565	4.5
498.41769	4.7
519.23181	4.3
521.28735	5.8
580.33710	9.3
581.22699	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87621	6.3
55.01868	9.9
55.05513	37.9
57.03443	14.4
58.98737	6.7
60.50939	5.5
67.05512	35.7
68.53662	7.3
69.03430	9.3
69.07059	28.7
71.30984	12.5
77.03897	6.6
79.05501	46.3
81.03427	12.8
81.07067	69.8
82.07366	7.7
83.04987	31.6
83.08613	17.9
85.02927	9.5
86.97423	6.3
91.05479	38.5
93.07046	26.2
95.04970	16.5
95.08604	40.0
95.16914	7.2
97.02894	6.6
97.06529	12.8
97.10175	28.2
100.24667	6.8
105.07014	37.0
107.04978	7.8
107.08611	32.1
109.06537	14.0
109.10159	19.7
111.04418	15.5
111.08093	7.1
117.07020	17.9
119.08596	28.6
121.10151	15.3
123.04420	7.0
123.08086	21.4
125.09622	19.2
127.03924	20.4
128.06248	10.9
129.07021	9.8
131.08521	16.8
133.10118	21.1
135.04497	8.1
135.08032	11.0
135.11726	14.0
139.03893	12.2
139.07536	8.1
141.07004	8.6
143.08588	20.0
145.10146	20.6
147.08081	9.9
147.11720	16.1
149.09607	12.4
149.13237	13.0
153.12794	8.9
155.08472	31.7
157.10130	15.9
159.11732	9.7
161.09654	10.6
163.03943	10.5
163.11232	14.9
165.09142	9.2
167.07043	8.8
167.08606	6.9
169.10161	24.5
171.11661	10.7
173.09561	9.8
177.16397	16.1
181.04933	7.2
181.10072	8.0
181.12216	10.6
187.14847	8.0
189.11232	22.5
193.10220	7.7
193.12157	14.3
206.08585	6.9
207.11714	8.8
209.13310	6.9
215.10654	18.6
216.22255	7.2
223.17065	10.0
227.12769	8.2
233.15442	8.8
251.16479	10.9
257.13147	7.9
259.14789	10.7
269.17508	19.1
271.14862	8.9
272.15332	7.5
273.18472	29.1
285.16373	13.5
287.05515	8.1
291.19614	53.9
365.23199	60.0
383.24301	100.0
441.24295	7.9
459.25369	86.0
460.25388	13.1
491.22568	18.6
580.28247	47.6
581.21838	19.4
584.28815	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92222	5.3
53.03964	5.2
55.01872	13.8
55.05507	20.8
57.03440	8.1
57.32261	4.3
65.03939	5.9
67.05501	37.7
67.65128	4.3
68.98360	15.8
68.98769	36.9
69.03435	17.1
69.07079	18.7
71.04996	10.6
73.02917	11.1
79.05491	29.4
81.03436	12.9
81.07056	43.9
83.04978	17.7
83.08636	12.2
85.02914	12.5
86.00624	5.4
91.05492	22.4
93.07042	38.5
95.04975	17.3
95.08613	44.2
97.02929	10.8
97.06530	15.0
97.10178	20.8
99.04509	7.6
105.07014	31.4
107.04932	9.3
107.08572	24.6
109.06528	15.2
109.10170	20.4
111.04465	15.7
111.08067	8.7
117.07031	17.6
119.08574	40.0
121.06523	7.4
121.10155	12.6
123.04397	5.9
123.08069	16.8
125.09663	15.1
127.03916	21.9
129.07024	18.2
131.08591	17.2
132.01152	11.2
133.06487	7.2
133.10144	16.5
135.04402	6.4
135.08037	7.5
135.11723	10.4
137.05960	9.9
137.09619	10.0
141.07002	7.8
141.09142	4.9
143.08525	13.1
145.06470	11.0
145.10103	25.4
147.08026	9.1
147.11710	21.2
149.09671	10.1
149.13243	15.9
155.08566	30.1
156.09206	7.5
157.10097	11.5
159.08063	5.8
159.11737	11.8
161.09615	5.9
163.11201	9.3
165.12654	5.0
167.07097	11.1
167.08516	8.1
169.10101	24.5
171.11719	17.0
173.09523	6.4
175.11180	7.1
177.16417	14.1
179.08540	5.5
181.12254	9.3
183.08012	5.2
183.11641	6.9
187.11259	6.0
189.11171	10.6
193.10361	6.4
193.12335	6.5
194.10831	6.6
205.15811	12.5
215.10712	12.9
219.11623	5.0
223.16953	16.2
231.11761	6.3
245.13368	11.2
247.14778	6.7
249.09456	7.1
251.16362	14.7
257.13272	12.0
259.14835	17.9
269.17386	24.5
271.14917	8.5
273.18546	13.6
279.34665	5.1
281.40323	5.6
287.12555	8.3
291.19455	32.0
336.12665	11.6
347.22336	9.2
365.23303	47.8
383.24277	66.8
413.24783	7.5
415.26056	7.7
459.25333	100.0
460.25598	12.1
473.21887	5.6
491.22714	16.2
580.27637	64.7
581.22461	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83482	3.0
53.03942	5.2
55.01874	3.7
55.05514	10.7
55.34660	2.9
61.02919	4.4
67.05514	30.1
69.03429	12.4
69.07080	12.3
70.62814	3.8
70.63139	3.0
71.04993	3.6
72.48426	2.8
79.05504	18.8
81.03428	8.3
81.07060	67.1
82.69832	2.7
83.04990	6.2
83.08625	5.6
85.02910	33.6
91.05473	24.3
93.07047	44.4
95.04971	5.8
95.08608	64.3
97.02934	15.5
97.06533	3.2
100.11311	2.8
105.07034	59.4
105.07677	4.9
107.08593	64.5
107.96443	2.7
109.02913	3.7
109.06543	9.9
109.10162	51.3
111.04462	3.8
117.06998	4.9
119.04905	3.2
119.08585	49.2
121.10169	21.3
123.04384	5.5
123.08060	3.8
123.11735	13.2
125.09618	4.7
127.03918	16.9
128.04327	3.9
131.08598	5.1
133.10120	30.5
135.08086	2.9
135.11716	14.9
137.06007	4.7
137.09651	2.7
139.03917	5.3
143.08588	2.9
145.04950	12.3
145.10135	10.8
147.11697	42.4
149.09648	3.6
151.11165	8.9
156.09409	2.9
157.10149	10.1
159.08095	5.1
159.11748	3.5
161.09695	3.7
161.13220	15.1
163.03905	4.8
163.06052	8.7
163.14786	18.0
169.10207	3.4
173.13351	3.3
175.14824	10.6
203.17969	100.0
204.18260	4.8
210.14940	3.6
221.19057	8.9
233.15321	3.2
269.01984	2.9
288.05853	5.3
289.05972	3.8
302.31860	2.8
307.13458	3.2
322.61377	3.4
347.22119	3.6
351.80563	2.9
358.73477	2.9
365.23358	3.2
473.23135	3.9
491.24380	5.9
509.25311	6.5
529.24963	2.9
580.22131	39.3
580.30280	4.1
581.22443	18.9
581.31433	3.7
583.81824	2.7
583.93817	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05316	1.2
55.05518	13.5
63.76237	1.5
67.05505	2.6
71.30844	1.7
71.62617	1.5
79.05489	3.4
81.07044	2.8
83.04987	100.0
84.05312	2.0
91.05482	3.0
93.07047	4.7
95.08591	7.4
97.06553	1.5
105.07025	4.1
107.08615	2.2
110.83820	1.5
111.04410	1.8
119.08577	4.8
120.63003	1.6
121.10121	4.1
123.08083	2.0
129.07008	2.0
131.08575	3.4
133.10123	4.6
143.08525	2.9
145.10112	4.7
147.08150	1.6
147.11731	2.1
155.08578	1.4
157.10147	5.7
159.11690	4.1
161.09653	3.9
169.10121	3.7
171.11705	4.1
181.10214	1.4
183.11723	4.3
185.13252	4.9
197.13185	1.6
199.11307	2.1
201.12738	3.0
211.14871	2.0
213.12672	3.4
225.12701	2.1
225.16217	1.7
239.14400	1.9
239.18073	2.0
267.17453	3.3
325.21680	4.8
369.20566	3.4
379.26318	8.0
381.23868	2.3
389.24966	2.7
407.20349	3.2
407.25793	64.9
408.26166	6.1
425.26849	23.8
426.27039	2.9
462.92175	1.4
580.28723	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.7
53.09745	3.8
53.61045	3.8
55.01875	4.7
55.05513	37.8
57.03436	15.2
57.07074	4.5
65.12159	3.2
67.05180	5.0
67.05508	70.6
69.03431	7.4
69.07066	17.7
71.05006	9.3
71.30309	4.0
79.05496	60.2
81.03417	76.5
81.07051	79.1
83.04970	25.6
83.08610	31.8
85.02914	27.7
88.25097	3.4
91.05473	57.3
93.07041	59.5
95.04969	35.2
95.08607	52.1
97.06541	7.3
97.10165	7.5
99.08051	4.7
105.07020	44.8
107.04916	5.5
107.08587	33.5
109.06515	13.3
109.10162	20.7
110.19805	3.7
111.08072	13.6
115.05482	3.8
117.06998	9.4
119.08578	42.1
121.10143	30.5
123.08040	5.3
123.11677	7.4
125.09609	5.6
129.07001	14.0
129.31741	3.4
131.08566	22.9
133.06493	5.8
133.10106	31.8
135.08002	4.4
135.11702	14.4
137.09624	6.7
142.07805	4.9
143.08557	6.3
145.10130	18.1
147.07979	4.9
147.11681	26.4
149.09593	8.0
149.13203	7.5
151.11284	3.9
157.10141	22.0
159.11728	9.3
161.13272	5.9
165.12794	5.2
167.10713	9.8
169.10100	4.0
171.11725	10.7
173.13211	10.5
175.11206	19.9
179.08513	4.2
183.11702	5.5
185.09584	4.3
185.13321	5.0
187.14761	6.0
193.10480	6.8
193.12241	63.1
195.11694	4.1
201.12747	3.7
211.13280	100.0
211.15138	7.0
212.13574	7.0
221.15266	6.5
233.15350	6.2
261.22186	11.6
267.15939	14.7
285.16931	77.0
286.17401	5.3
335.25772	93.4
336.25946	6.3
490.34888	3.3
527.37421	4.1
545.38318	82.0
546.38129	10.7
563.37689	4.9
581.40424	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11709	4.9
53.03943	6.2
55.01892	6.9
55.05507	31.7
57.03431	23.0
57.96287	5.0
59.02203	5.5
67.05503	74.3
69.03448	5.8
69.07060	24.2
71.04985	4.8
74.17577	5.7
79.05490	50.5
81.03398	49.5
81.07059	84.9
83.04991	16.6
83.08622	27.0
85.02919	21.1
91.05481	56.9
93.07039	61.0
95.04972	21.8
95.08604	47.6
98.23168	28.5
99.96700	5.1
105.07021	45.0
107.08593	37.6
109.06539	11.9
109.10167	18.8
111.04462	5.2
111.08044	11.6
117.07002	11.0
119.08560	37.9
119.49038	4.8
121.10175	21.3
123.08135	6.5
123.11720	12.9
125.00584	5.0
129.07030	9.3
131.08559	20.9
133.10150	21.9
135.11702	16.0
142.07832	9.2
145.10150	17.0
147.11678	21.4
149.13257	5.9
157.10126	18.4
159.08083	6.0
159.11707	7.0
163.14761	6.9
171.11697	11.8
173.13295	6.0
175.11206	12.2
193.12251	42.1
207.11795	5.9
211.13229	52.2
240.11876	5.8
251.70987	5.6
267.15829	7.6
285.16919	37.2
335.25766	100.0
336.26031	6.0
355.40704	5.3
545.38391	43.1
580.38318	6.8
581.30768	10.5
581.39807	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92588	2.8
53.03934	4.1
53.34361	2.9
55.01852	3.3
55.05510	27.7
57.03438	10.7
57.07063	5.8
65.56645	3.6
67.05506	55.2
69.03426	3.9
69.07068	27.7
69.22186	23.8
71.04971	4.4
79.05495	33.3
80.27957	2.8
80.47584	2.9
81.03405	3.9
81.07061	70.3
82.07396	5.5
83.04977	4.5
83.08643	22.4
85.06538	5.7
91.05482	17.9
93.07048	54.2
95.04970	7.7
95.08607	82.9
96.08951	3.3
97.02832	3.9
97.06516	5.8
97.10150	8.1
98.22904	11.1
99.04453	4.2
105.07041	14.8
107.04979	10.0
107.08595	39.2
108.61908	3.0
109.06532	5.0
109.10180	15.7
110.41811	3.2
111.08096	4.1
117.07010	9.5
119.08591	18.5
121.06492	10.2
121.10149	21.4
125.09665	3.1
128.78676	3.5
130.07805	3.3
131.08525	4.1
133.10135	13.6
135.11693	50.3
145.10141	34.0
147.11714	4.1
155.74382	2.9
161.13205	3.4
163.11174	56.0
181.12285	9.0
204.54155	2.9
227.12799	93.3
228.13132	5.0
283.15369	64.6
284.15704	5.3
335.25879	8.7
337.27344	100.0
337.31384	5.0
338.27728	5.5
530.38519	5.0
545.38348	63.6
546.38800	6.9
581.39752	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.05517	20.4
55.69802	2.1
57.03433	7.6
57.07071	5.3
59.54652	2.3
65.03939	3.1
65.63860	2.1
66.70456	1.9
67.05503	42.9
67.05836	4.1
69.03647	9.1
69.04070	11.3
69.07072	22.3
71.05016	2.8
79.05493	19.8
81.03461	2.1
81.07054	46.5
83.04955	3.1
83.08608	13.1
83.99805	2.0
85.06552	3.5
91.05499	13.3
93.07040	34.8
95.04960	5.4
95.08604	52.1
97.06532	4.7
97.10166	6.1
98.22501	3.5
99.04444	2.3
105.07037	12.9
106.07372	2.1
107.04957	5.2
107.08590	21.0
109.10159	14.9
117.07024	7.0
119.08586	13.1
121.06493	2.8
121.10143	15.4
123.08060	4.0
123.11726	4.1
131.08595	4.0
133.10132	8.8
135.11681	34.0
137.13316	2.4
145.10127	20.1
147.11697	4.6
149.13316	3.6
154.92296	2.0
159.11774	2.6
161.13315	3.1
163.11180	32.4
167.07031	7.7
168.07408	3.2
175.11153	3.4
175.14790	2.2
181.12263	6.4
201.16373	6.5
204.18303	2.1
219.17468	3.7
227.12776	53.6
235.13348	6.1
283.15387	37.7
285.17068	2.5
337.27332	100.0
338.27588	7.8
356.47675	2.1
530.39099	4.3
545.38312	46.7
546.38495	3.9
562.38458	2.7
580.38806	8.4
581.40216	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1501
Annotation	Quercetin 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
51.60987	2.0
57.03434	11.5
61.02925	4.8
69.03435	11.0
70.67220	3.8
70.67561	3.3
71.04990	6.9
73.02914	21.6
74.63033	2.2
75.04485	3.9
76.14125	2.2
81.03400	2.1
83.04968	2.3
85.02901	14.1
93.03455	2.4
97.02892	15.1
103.03945	3.0
107.04976	4.0
111.04438	3.6
115.03942	6.0
121.02819	3.1
123.04440	2.4
129.05440	2.6
134.08063	2.3
137.02390	4.1
139.03908	3.8
151.03918	4.8
153.01854	8.7
155.04739	1.8
168.51222	1.8
196.53304	2.4
228.04343	2.7
229.04927	5.1
257.04391	2.5
274.04776	6.0
285.03976	4.4
287.05484	13.4
302.04184	12.1
303.04962	45.8
303.08081	1.5
304.05334	3.4
315.05038	7.3
317.06519	100.0
318.06851	6.2
327.05002	2.7
329.06628	10.3
341.06445	4.7
345.05994	12.0
350.13586	2.2
359.07645	7.9
369.06305	10.3
383.07773	4.9
395.07355	4.1
413.08572	18.5
431.09814	7.5
449.10715	17.5
521.50806	2.2
581.21960	17.5
581.30237	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.9
55.05518	2.5
57.03440	11.6
58.97569	0.9
61.02930	3.3
67.05502	2.8
69.03439	9.3
69.04995	10.8
71.01360	2.0
71.04991	2.5
73.02919	17.8
81.03419	1.6
81.07047	3.3
83.04972	2.8
85.02906	12.0
85.06573	1.1
91.05490	2.6
91.61448	1.2
92.02645	1.3
93.03415	1.8
93.07063	1.8
95.04955	1.3
95.08597	1.6
95.39116	1.3
97.02887	14.8
97.06551	1.9
100.11260	2.9
103.05433	1.5
105.07023	3.2
107.04933	1.3
107.08603	2.1
109.06501	1.2
109.10146	1.5
111.04458	2.5
115.03934	9.2
119.04960	1.4
119.08605	2.7
121.02888	2.1
121.06540	1.3
123.04424	2.0
127.03902	4.0
131.04915	1.4
131.08592	1.4
133.04980	3.3
133.10124	2.2
134.10390	1.1
137.05986	3.7
139.03935	1.6
145.10129	1.7
147.04411	3.8
147.11703	3.8
151.03908	4.8
153.01854	4.9
157.04936	2.2
165.01778	1.5
175.09238	1.1
181.05037	1.3
182.15353	1.1
209.16574	1.8
210.15019	2.2
213.61688	1.3
229.04939	2.5
246.05280	2.0
251.16431	2.6
257.04529	2.8
273.03790	1.5
274.04678	2.5
285.03958	3.4
287.05545	14.5
299.05463	2.6
302.04224	13.2
303.04962	5.0
317.06558	100.0
318.06873	5.0
329.06644	9.3
330.06787	1.5
340.06244	1.9
341.06558	2.7
343.08072	2.3
353.06564	2.6
355.08032	4.5
359.07712	10.8
367.08157	2.9
383.07645	11.0
395.07480	5.0
413.08694	14.3
431.09671	5.3
449.10681	8.6
581.22333	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1496
Annotation	NSC641260
Peak:m/z	Relative Intensity
55.22079	0.8
57.03432	3.5
61.02927	1.0
66.09019	0.8
67.37417	0.8
69.03414	4.0
69.48858	4.1
69.49267	1.9
73.02921	5.1
81.03379	1.0
85.02901	5.8
97.02927	4.0
98.22596	1.5
106.74626	0.8
109.02892	1.2
111.00778	1.1
115.03925	2.8
121.02868	2.5
125.60088	0.9
127.03899	1.6
130.81825	0.7
145.04991	0.8
153.01825	3.5
165.01837	1.8
175.70001	0.8
183.03027	1.5
187.91931	0.9
213.05479	1.8
258.05319	1.2
265.41705	0.8
287.05487	100.0
288.05746	4.6
299.05579	2.2
329.06589	2.7
353.06497	1.9
354.17590	0.9
383.92245	0.8
449.10852	1.4
478.81122	0.9
491.28714	1.6
536.18567	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1495
Annotation	Artabotryside A
Peak:m/z	Relative Intensity
53.46851	1.5
54.59532	1.4
55.01865	2.3
57.03441	5.6
58.36162	1.4
69.03429	3.3
69.06397	13.7
71.04996	29.2
83.04977	2.5
84.62124	1.4
85.02901	33.5
94.40974	1.5
97.02891	4.9
109.59094	1.4
111.00811	1.7
115.03918	2.2
121.02869	1.4
127.71197	1.4
129.05475	8.2
137.02347	6.2
141.10329	1.7
147.06541	2.8
153.01863	3.6
165.01884	1.6
183.72937	1.6
199.06192	1.4
201.05450	2.7
219.03021	1.2
225.58163	1.3
229.04921	4.2
253.42052	1.7
257.04446	4.0
285.04068	1.5
303.04987	100.0
304.05350	3.7
315.04752	6.7
341.06543	2.9
345.06061	8.0
353.06604	2.2
355.50858	1.4
369.06018	7.0
399.07144	7.4
417.08121	3.0
435.09155	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1861
Annotation	Isosakuranetin 7-alpha-L-arabinofuranosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
50.42102	2.5
57.03439	21.3
69.03429	52.8
69.07053	3.9
70.45500	2.7
71.04996	81.5
71.30053	5.6
73.02922	13.8
75.04482	29.1
78.18284	2.9
79.05489	3.8
83.04999	6.0
85.02907	100.0
86.40412	2.6
87.04488	4.6
91.05472	7.1
95.04939	5.9
97.02899	7.8
97.06544	4.3
104.00372	3.1
107.04956	81.8
109.02906	4.2
109.32464	2.9
111.04462	11.1
115.03971	3.9
119.05006	3.8
121.02875	8.9
121.06523	4.6
123.04430	3.1
127.03960	3.0
129.05489	22.4
133.06490	4.5
135.04408	20.5
137.06010	16.0
147.04410	4.0
147.06551	7.0
149.02344	13.0
150.35258	3.3
151.03835	3.2
151.16974	3.1
153.01839	18.2
153.05432	3.1
163.03917	8.9
165.01852	19.1
167.07199	2.9
173.02319	6.2
173.05992	4.1
177.01791	8.6
177.05505	2.9
179.03394	6.4
183.02983	7.3
191.03389	7.7
195.02878	22.9
203.03392	5.8
205.05006	2.8
207.02802	4.9
210.57506	3.3
215.03441	4.9
215.07028	11.8
219.02884	22.7
229.08601	3.4
231.02937	3.6
233.11636	14.6
239.07014	12.5
241.05103	4.3
243.06544	12.7
245.04523	10.3
250.14355	9.1
255.06448	7.2
257.04453	4.0
257.08118	5.8
261.03946	8.2
263.05545	9.2
267.06552	9.9
269.04425	4.2
271.06009	9.0
281.08173	8.6
283.05841	6.0
285.07541	13.5
287.05505	47.9
288.05759	4.8
289.07077	16.6
295.06033	12.0
299.05063	3.5
299.08121	3.9
301.07166	6.8
305.06482	5.3
309.07544	10.0
311.05511	4.5
313.07025	9.0
323.07703	9.2
329.06503	11.6
331.08231	12.5
335.09070	4.5
337.07117	8.4
347.07587	5.8
353.10098	6.3
355.08160	27.4
373.08994	8.4
381.09674	14.9
391.10266	16.3
399.10764	24.8
409.11362	8.7
417.11679	15.9
435.12961	27.8
545.23975	5.2
597.94086	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	77.2
69.22607	23.0
69.23026	9.5
76.00947	3.9
76.61758	4.4
83.04980	100.0
95.54800	4.5
104.18884	4.1
105.49256	4.2
113.40170	4.2
117.73952	4.1
145.10036	4.8
145.98907	4.1
195.92929	4.1
238.06421	4.3
263.06982	4.9
266.05783	21.6
267.06525	4.9
281.08139	22.1
291.06879	4.6
294.05338	9.0
297.07227	5.6
309.07526	30.2
310.08292	8.7
311.05496	10.1
341.10144	36.2
353.13876	24.1
354.52783	4.8
369.13101	7.9
374.09875	4.6
381.13367	20.9
399.14325	8.3
462.29095	5.0
479.34351	4.9
581.40857	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13176	0.6
53.03948	2.1
55.05514	75.5
56.05853	0.7
58.06603	1.1
59.06116	1.7
60.05647	2.1
62.74619	0.6
69.09850	0.7
70.58695	1.3
70.59066	0.7
76.57053	0.6
83.04984	100.0
84.05310	2.2
84.22556	0.5
103.05501	0.7
107.90704	0.6
154.00398	0.6
198.06775	1.3
206.07312	0.9
210.06877	0.7
211.07582	1.1
213.09061	1.5
219.08232	0.9
220.08833	0.7
221.09656	0.7
223.07553	1.0
225.05534	1.0
225.09088	1.1
226.06282	1.0
230.36700	0.6
233.01208	0.7
234.06906	1.1
235.07535	1.7
236.08153	0.6
237.05595	1.7
237.09236	1.4
239.07054	0.9
240.07774	3.6
241.08586	2.1
247.07564	1.3
248.08360	1.9
249.09145	2.9
250.06302	0.7
250.09926	1.1
251.06953	3.4
252.07880	1.8
253.08542	2.0
254.05875	1.9
255.06534	1.2
255.10278	0.9
256.07275	3.0
261.05496	0.6
261.09259	1.2
263.07141	2.6
263.10675	1.8
264.07828	1.7
265.08591	3.0
266.05933	1.1
266.09439	2.2
267.06467	1.1
267.10248	1.5
268.07300	1.1
269.08047	1.4
271.09705	0.8
275.06897	0.8
276.07770	1.2
277.08527	3.1
278.06107	0.9
278.09488	1.8
279.06598	3.1
279.10156	1.8
280.07306	1.9
281.08163	7.5
281.11780	2.7
282.05313	1.2
282.08572	0.7
283.06213	0.9
284.06851	2.7
289.08630	1.5
290.09341	0.9
291.06595	1.6
291.10229	1.9
292.07327	1.4
292.10995	1.0
293.08096	4.4
294.08871	2.7
295.06030	1.6
295.09689	2.3
296.10522	0.9
297.07660	5.6
297.10806	0.9
298.08417	0.8
299.09174	4.2
300.06305	1.7
305.08304	1.7
306.08832	1.5
307.06241	1.3
307.09760	3.6
308.06995	1.3
308.10449	4.3
309.07654	2.7
309.11292	7.8
310.08347	1.2
311.05676	0.9
311.09229	2.0
312.06323	1.2
313.07077	1.2
313.10571	0.9
315.08670	3.2
317.08252	2.3
319.05951	1.7
319.09482	1.1
320.06824	1.1
320.10352	1.1
321.07596	2.4
321.11252	1.5
322.08429	0.9
323.09229	3.6
323.12607	1.2
324.09979	2.8
325.10736	1.4
326.11395	5.0
327.08624	29.9
328.09140	2.5
329.10291	1.5
333.07724	1.7
334.08310	3.3
335.09091	5.6
336.09897	3.8
337.06982	2.7
337.10770	3.5
338.07779	1.0
338.11441	1.2
339.08588	1.1
339.12299	7.9
341.10443	3.4
341.13858	1.2
342.10977	46.9
343.07895	1.0
343.11560	3.6
347.10052	0.8
348.09891	1.0
349.10645	7.3
350.11578	3.5
351.08640	3.7
351.12418	4.5
352.09235	3.7
353.10205	3.6
353.13919	1.7
354.10809	0.9
355.11780	1.0
356.12494	3.5
357.09760	2.8
357.13608	1.0
358.10483	1.0
359.11282	5.8
366.10980	3.8
367.11801	8.1
368.12491	2.1
369.13361	2.3
371.14917	6.0
378.11075	1.4
381.13318	37.8
382.13794	2.3
399.14380	30.2
400.14752	1.7
409.12866	14.2
413.15878	5.5
421.12582	2.5
424.15274	1.1
441.15421	4.2
481.18875	0.9
521.17627	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14936	0.4
51.86788	0.4
55.05491	0.5
67.05496	0.6
69.07068	1.0
71.31027	0.5
79.05482	0.7
81.07060	0.9
83.04970	0.4
83.08651	0.4
91.05479	0.9
93.07049	0.8
95.08611	0.9
105.07036	1.4
107.08571	0.8
115.05449	0.6
117.07003	0.5
119.08588	1.4
121.10147	0.4
131.08580	0.8
139.07574	0.5
143.08484	0.5
145.10089	0.5
155.08545	0.5
159.11682	0.5
165.07002	0.7
167.07076	1.5
179.05583	0.4
179.08553	1.1
183.08115	0.7
197.09634	0.6
203.08513	0.6
207.11617	0.6
209.09677	0.5
210.06798	1.5
211.07600	1.4
213.05464	0.5
214.06322	0.5
215.07175	0.6
219.08096	0.5
220.08752	0.7
223.07416	0.5
225.05513	0.6
225.09134	1.8
226.06360	0.6
226.09854	0.9
227.07144	1.0
235.11211	1.6
237.09174	1.1
238.06308	0.6
238.09911	0.6
239.07074	1.7
240.07878	0.7
241.05034	1.5
241.08635	0.5
242.05598	0.6
243.06491	2.1
247.07426	0.8
248.08403	1.4
249.09140	2.0
251.07141	0.7
251.10861	1.2
252.07825	0.8
252.11443	0.8
253.08659	1.4
254.09483	1.0
255.06580	1.2
256.07346	1.8
257.08121	0.8
258.08798	0.5
259.06024	0.9
261.09119	0.4
263.10678	3.2
264.11472	1.4
265.08618	3.5
265.12244	0.6
266.05899	0.5
266.09384	1.1
266.12881	0.5
267.06561	0.9
267.13876	0.9
270.08990	0.9
271.06223	0.6
271.09668	1.9
272.06973	1.1
273.07657	0.5
277.08627	2.4
278.09344	0.7
279.10178	0.8
280.10843	2.8
281.08279	1.0
281.11722	1.4
282.08875	1.0
283.05991	0.6
284.06885	1.7
285.07635	1.3
285.11295	1.2
286.08459	0.9
287.05923	0.7
287.09256	1.1
288.06342	0.6
291.10214	1.6
292.10852	0.9
293.08075	1.5
293.11646	1.3
294.08990	1.0
294.12457	0.5
295.09854	0.7
295.13232	5.0
296.13690	0.7
297.07751	0.6
297.11206	1.5
297.14346	0.6
298.08182	0.8
299.09143	3.3
300.09842	0.6
301.07147	0.8
301.10574	0.8
302.07990	0.7
303.08701	1.7
304.09454	0.9
308.10480	1.5
309.11188	2.5
310.11874	0.7
311.09344	0.8
312.10019	0.5
312.13623	0.5
313.10773	2.3
314.11197	0.6
316.09311	0.7
317.10257	1.7
318.10889	3.7
323.12756	5.0
324.13507	3.5
325.06888	7.0
325.10757	1.9
325.14081	0.9
326.11130	0.6
326.42105	0.5
327.12543	0.5
327.16031	1.0
328.01392	0.4
330.10779	0.6
331.12024	1.3
332.12543	0.9
338.15103	0.8
340.09265	3.3
340.13174	1.4
341.13812	1.9
345.13495	1.3
351.11807	0.5
352.09009	0.5
355.15396	9.3
355.19534	0.7
356.16068	3.7
357.13007	0.6
363.12088	6.5
372.15762	0.9
377.13965	1.2
378.14172	2.7
379.15149	1.3
387.17960	6.1
388.18347	1.0
394.13803	1.0
409.16208	26.4
410.16690	2.0
450.18997	0.9
547.08990	0.5
552.66034	0.4
566.29059	0.5
581.30841	100.0
582.31134	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68393	0.9
55.05508	1.9
57.03431	1.5
57.07072	3.5
63.40342	0.9
65.75216	0.8
67.05520	4.6
69.07079	2.4
71.08638	1.9
71.31535	1.0
74.93325	0.7
79.05465	1.9
81.03426	1.9
81.07055	5.8
83.08629	1.7
85.10199	1.6
91.05492	2.5
93.07036	1.6
95.04980	1.1
95.08624	3.5
97.10172	0.8
105.07048	1.6
107.08588	1.0
109.10145	1.7
119.08637	1.4
121.10107	1.5
151.14684	0.9
167.07079	1.4
193.12216	1.0
211.13316	1.8
251.12674	1.7
269.13553	7.1
281.13583	1.0
313.27441	0.9
325.16315	4.7
337.27469	2.5
356.25867	1.0
483.46149	0.9
537.37683	3.1
547.40192	2.7
563.39172	3.5
581.40234	100.0
582.40552	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46850	7.1
60.48947	9.3
63.77304	7.2
69.28572	45.5
69.28976	18.8
78.23465	8.6
81.07049	8.5
86.09724	9.8
104.10717	41.8
113.69802	8.9
178.82643	7.8
179.08339	8.4
182.07300	11.8
197.79152	8.4
225.09158	28.6
238.06230	12.6
253.08612	13.3
268.72839	8.1
281.07965	47.9
311.09033	26.1
343.11646	100.0
382.11877	8.9
383.14642	17.3
415.31467	8.3
495.18475	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
60.91580	10.3
61.19276	10.0
62.06091	100.0
65.28941	10.4
71.32674	16.3
78.93752	9.9
105.03354	28.7
210.06982	11.8
281.08203	23.5
311.08884	12.0
343.11819	58.7
361.17023	11.4
383.15088	12.9
464.21277	18.7
491.34607	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40506	1.6
53.03952	2.0
55.01876	2.1
57.03432	21.9
59.04997	4.1
61.02921	5.0
65.03925	2.4
69.03429	79.1
69.20193	14.1
71.05011	3.5
73.02912	4.2
74.93375	1.6
79.05481	2.8
80.81716	1.5
81.03422	8.3
84.86335	1.9
85.02903	100.0
87.03928	2.5
87.04466	53.8
91.05479	63.8
93.07035	2.0
97.02890	84.5
99.04455	6.2
105.07033	9.0
106.22109	1.7
107.04959	4.6
109.02895	4.2
109.06545	1.8
111.04430	1.9
115.03925	87.0
121.06525	3.2
123.04439	5.9
124.04781	2.2
127.03905	27.0
128.04277	2.9
129.04381	2.1
129.07010	2.2
131.04944	2.3
131.08563	5.7
133.04964	95.4
133.06471	3.9
133.10127	9.2
135.04436	5.2
136.04776	2.3
137.05951	2.1
139.03900	9.3
140.04233	4.6
144.08022	3.5
145.04947	34.2
150.07585	5.8
151.03882	2.4
159.08054	5.3
161.04488	3.8
161.09642	4.5
163.03954	3.1
163.06021	19.3
165.60712	1.7
169.04953	5.3
177.05458	1.7
177.09048	8.7
179.10643	3.3
180.38506	1.6
187.07378	2.4
200.47188	1.7
205.08612	4.3
217.08447	2.9
223.06009	2.5
223.09579	11.1
235.09625	2.1
235.17000	4.0
241.07034	3.8
253.10724	2.6
259.08118	7.3
263.94586	2.2
277.06085	1.9
277.09131	2.7
287.05585	3.4
288.05957	2.4
289.06155	2.5
295.10086	9.3
325.11316	4.1
335.33698	2.0
416.40912	1.8
418.46283	1.8
420.12912	2.8
456.57532	1.8
582.18262	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96986	1.3
61.30404	1.0
65.75400	1.2
67.05508	2.4
69.03424	6.4
69.28491	5.4
69.28909	3.0
73.95805	1.2
79.05497	9.5
81.03445	1.3
81.07059	73.0
82.07367	1.8
85.02898	1.4
91.05485	5.4
93.07030	4.3
95.04979	2.5
95.08601	8.1
97.02914	2.0
97.06557	1.7
105.07058	3.7
107.04963	2.4
107.08585	1.7
109.06516	26.5
113.02368	3.8
117.07001	1.5
119.04963	1.5
119.08583	2.4
121.06493	2.9
123.08069	10.0
129.07057	3.8
131.08603	2.4
133.06467	1.7
135.08066	2.8
137.05978	100.0
138.06375	1.3
139.07642	1.5
141.06978	2.5
143.08601	2.6
145.06519	3.2
145.10114	1.7
147.04393	1.6
147.08040	5.9
149.05983	1.9
151.07619	1.8
153.07014	1.5
153.40388	1.2
155.07138	1.6
155.08481	2.0
157.06480	2.9
157.10172	1.4
159.08043	3.9
161.05991	2.1
161.09644	2.5
163.07568	3.5
165.07013	2.2
165.09216	1.6
167.07098	1.8
167.08551	2.1
171.08195	2.5
173.05983	1.4
173.09706	2.0
175.07512	6.0
177.09074	1.7
179.08598	2.6
181.10133	3.5
182.07222	1.2
183.08064	1.6
184.01688	1.2
185.09714	2.3
187.07573	2.1
189.08975	1.6
190.07776	1.3
191.07021	3.2
191.08673	1.9
193.10196	3.3
195.08145	2.5
197.09599	2.7
199.07596	3.3
201.09135	1.7
205.10149	1.7
207.08073	2.0
207.11700	2.6
208.08908	1.4
209.06258	1.4
209.07953	2.3
209.09647	3.7
211.07625	1.9
211.11272	2.0
213.09135	2.8
219.97691	1.2
221.09668	2.4
222.10413	1.7
223.11224	4.6
225.09209	2.5
227.10722	2.6
231.08043	2.5
231.11852	1.5
232.08830	1.7
233.09683	3.4
239.10594	3.4
240.11400	2.3
249.09116	3.5
249.12738	2.9
250.09937	3.6
251.10567	2.8
253.12448	1.4
253.15710	2.0
261.12610	2.0
267.10245	3.9
267.13785	2.7
268.10956	4.7
269.11856	1.6
277.12283	4.7
278.09235	1.9
279.10355	1.9
295.09952	2.1
295.13336	3.9
296.10645	2.7
305.11649	1.7
317.15192	2.1
323.13040	1.4
326.12723	1.5
341.15396	2.2
345.14960	1.8
351.28772	1.2
359.16336	3.5
365.13852	1.4
369.14844	1.6
383.15021	3.5
387.15863	5.1
401.16025	1.9
405.17102	9.9
406.17480	1.4
415.15359	2.6
423.17993	9.4
429.17068	1.5
433.16486	11.8
441.19031	1.9
447.17905	3.2
451.17566	18.3
465.18890	3.9
467.20749	1.8
469.18564	89.0
470.18961	6.5
475.17419	2.8
483.20078	3.6
487.19632	30.6
488.19839	2.5
493.18835	9.2
505.20657	6.0
511.19708	15.2
529.20581	10.6
583.20459	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82038	2.1
55.05510	2.8
61.02927	2.1
67.05503	2.4
68.64234	2.1
68.89289	1.8
69.03427	4.8
69.07072	3.9
77.12737	2.2
78.76614	2.0
79.05482	3.2
81.03411	2.7
81.07049	3.5
83.04986	2.4
85.02905	13.1
86.09703	6.7
91.05470	3.3
93.07061	3.7
95.08597	3.9
97.02882	4.1
97.06538	7.6
98.22649	5.4
102.28412	2.0
105.07025	5.1
109.77462	2.3
119.08575	4.0
125.00037	4.3
127.03869	2.5
133.10179	3.5
137.05943	2.8
145.04918	2.8
147.11731	2.2
149.47751	2.2
149.71292	2.4
167.07085	3.5
167.08620	2.0
182.07185	3.7
184.05312	4.0
184.07338	27.7
197.09599	2.8
198.06873	2.5
199.07545	4.6
203.10710	3.6
210.06758	8.2
211.07503	4.8
213.05275	3.9
224.08217	2.1
225.09058	15.8
226.06326	4.5
227.07025	13.0
228.07788	5.6
229.04877	2.8
238.06277	4.7
239.07068	5.3
241.04906	11.9
241.08528	3.3
242.09355	4.9
243.06479	3.4
244.07257	2.4
245.04491	2.8
245.07893	2.4
249.09180	2.0
251.10866	2.5
252.07849	4.5
253.04893	2.6
253.08591	23.9
254.09154	2.8
255.06525	9.2
255.10271	2.7
256.07309	10.4
257.04507	2.8
257.08069	2.3
259.06012	13.9
259.09460	3.1
265.08499	2.1
266.05792	4.2
267.06580	6.1
267.10153	5.5
269.04398	5.7
269.08139	4.9
270.05414	2.8
270.08905	7.7
271.06152	3.3
271.09445	3.1
272.06857	7.2
273.07602	4.4
277.08417	2.3
278.09219	3.3
280.07416	2.4
281.08038	33.3
282.08591	3.9
283.06070	3.3
284.06802	5.2
285.11322	11.6
287.05493	13.1
287.09103	16.8
288.06424	3.4
288.09900	6.1
289.07095	7.7
293.11771	4.1
295.09634	9.6
298.08334	7.5
299.09155	9.7
301.07135	2.4
302.07843	29.9
303.08545	9.8
304.09503	3.4
306.08795	2.4
307.09561	3.7
311.12885	3.8
313.10696	29.6
314.11319	6.7
316.09317	6.4
317.10190	100.0
318.10605	5.4
319.11789	11.8
320.08911	7.3
321.11197	6.5
322.11826	3.9
325.14349	5.2
327.12167	4.0
328.13065	3.6
330.10880	4.3
331.11765	14.9
335.11331	4.9
339.12299	4.6
343.15439	5.4
345.13333	86.0
346.13651	6.3
353.13721	15.7
354.14505	4.5
359.14731	11.1
360.15540	4.4
370.14252	3.2
371.14883	4.2
373.16089	2.7
375.18063	12.2
385.16406	73.6
386.16663	7.1
403.17548	28.8
539.26025	2.1
582.22003	11.8
583.23529	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42632	1.0
55.05533	1.1
57.03445	1.2
61.02920	1.1
67.05515	1.2
69.03432	2.2
69.07079	1.1
69.21917	0.9
70.57262	2.6
71.91116	0.9
77.88774	0.9
79.05534	1.2
81.03432	2.9
81.07047	1.8
81.69257	1.1
85.02906	8.0
91.05469	1.7
97.02891	2.0
97.06535	1.2
105.07064	1.6
137.06006	1.2
145.04919	1.5
158.83217	1.0
175.07555	14.5
175.10938	1.1
176.83635	0.9
181.08643	2.7
184.07291	1.9
189.09262	1.1
195.08067	1.5
199.07410	1.2
209.05911	1.1
211.07570	1.4
217.08501	6.9
220.08743	2.2
221.09634	1.4
224.08423	1.2
227.07025	2.2
235.11359	2.3
237.09169	2.1
237.12711	1.0
239.07005	2.2
240.07686	1.3
248.08304	2.4
249.09155	2.8
252.07706	1.4
253.08621	2.6
254.05792	3.9
255.06543	1.9
256.07251	1.9
256.15408	1.1
259.09439	1.2
263.10754	5.4
264.11185	2.0
265.08536	5.1
265.11429	1.0
267.06851	1.2
267.10092	1.5
267.13846	2.1
269.08093	7.8
271.06158	1.4
277.08566	4.8
278.09268	1.3
279.10153	3.4
280.10910	5.5
281.11652	2.4
282.08908	1.5
283.06003	2.8
283.09442	1.4
284.06693	1.5
285.07529	5.3
285.11282	1.1
286.08435	1.3
291.10275	3.0
292.07690	1.2
292.10995	2.6
293.08002	3.0
293.11731	3.4
294.08862	1.8
294.12366	1.7
295.09937	2.2
295.13211	14.8
297.07675	6.6
297.11163	2.5
298.08279	3.6
299.09048	2.9
300.06137	1.6
307.09586	2.4
308.10474	4.0
309.11215	3.8
310.11780	1.2
311.09052	1.7
313.14142	1.6
315.08661	2.6
316.09354	2.2
322.12106	3.4
323.12759	16.0
324.13416	5.8
325.10712	2.6
325.14294	1.6
327.15857	4.4
331.15503	1.3
338.11499	1.9
340.13055	4.6
353.13818	49.0
354.14542	25.5
355.15387	54.6
356.15701	3.8
370.13690	1.7
371.14835	1.4
385.16437	100.0
386.16837	8.4
403.17548	10.9
423.20377	1.1
547.21637	4.6
583.19806	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
55.05518	2.0
57.48392	1.1
65.03941	1.2
67.05502	3.8
69.03432	7.3
69.07064	1.3
69.75150	6.3
79.05499	13.1
81.03428	1.6
81.07059	70.8
82.07378	1.3
83.04984	3.0
85.02902	3.0
86.09698	2.9
91.05483	9.5
93.07043	4.6
95.04976	1.5
95.08601	8.5
97.02891	1.5
97.06522	5.3
97.75805	1.3
105.07042	6.1
107.08597	3.6
109.06523	26.7
111.04483	2.1
113.02402	2.3
115.05442	1.4
117.07038	4.3
119.08598	5.0
121.06478	2.4
123.04401	1.4
123.08102	2.7
128.06285	2.9
129.06984	3.1
131.04968	1.6
131.08572	5.2
133.06497	3.4
133.10162	1.7
135.08040	4.5
137.05980	100.0
138.06328	2.2
141.07039	2.6
142.07751	1.9
143.08572	4.9
145.06474	4.8
145.10077	3.1
147.08031	7.0
149.06017	2.9
149.09698	2.2
151.07561	3.1
153.06969	2.5
155.06990	2.7
155.08556	2.3
157.06473	2.9
157.10092	1.6
159.08073	5.8
161.06007	2.5
161.09689	2.6
163.07564	5.5
165.06918	2.8
167.07109	2.1
167.08542	2.3
168.09389	1.5
169.10107	3.4
171.08025	4.7
173.06017	2.4
173.09540	2.5
174.06792	1.9
175.07623	6.7
178.07573	2.2
179.07098	1.7
179.08588	3.1
181.10146	3.4
183.08092	2.8
184.07335	4.3
185.05998	2.2
185.09592	3.0
187.07562	3.9
189.09071	3.7
191.07065	3.5
192.09378	1.6
193.10117	3.0
195.08057	3.5
195.11784	1.7
197.09615	4.3
197.13249	1.6
199.07545	1.8
199.11191	2.4
201.09111	2.8
203.10620	1.3
205.10204	1.7
207.08015	2.1
207.11719	2.2
208.84320	1.3
209.09601	4.8
209.13307	1.2
211.07539	2.1
211.11201	2.3
213.09151	3.4
219.08038	1.6
220.96928	1.3
221.09706	3.1
223.11079	3.8
225.09215	2.5
227.06938	1.6
227.10739	2.2
231.11804	1.5
233.09796	2.1
234.10323	2.3
235.11252	2.7
237.09045	3.4
237.12762	2.4
239.10701	1.9
241.12225	2.6
243.10059	1.8
251.10637	2.5
251.14539	2.5
252.11600	2.7
253.08656	1.5
253.12207	4.4
259.09247	1.7
261.12839	3.0
263.10724	2.9
265.12219	2.6
270.12433	2.1
275.14554	1.5
277.12143	2.5
277.16040	1.4
279.10172	2.4
279.13751	3.2
280.10901	2.6
281.11569	2.4
291.13913	1.6
299.12671	1.8
325.14417	2.5
331.15564	2.0
353.50433	1.4
355.15533	4.5
357.13535	2.0
371.16315	2.6
373.16647	3.8
383.15228	2.2
387.14658	1.9
389.17365	4.8
401.16095	5.8
405.17068	1.9
407.18823	7.1
417.16937	6.2
418.17621	2.0
419.17706	4.5
423.17960	2.5
429.16940	1.8
431.18689	2.2
433.16580	1.6
435.18054	18.7
436.18726	3.1
447.17798	5.4
449.19440	2.8
451.17322	4.3
453.19098	31.9
454.19516	3.9
457.15952	1.4
461.27100	2.6
465.19168	10.9
471.20047	21.3
475.17593	2.3
479.23868	2.5
483.19928	6.4
489.21198	30.4
490.21481	3.3
493.18472	11.7
501.21008	3.4
511.19702	14.3
519.22046	5.1
524.01129	1.4
529.20673	8.6
547.21747	4.0
565.23444	1.9
582.23352	3.7
582.42169	2.0
583.24585	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
72.19228	1.7
78.96404	1.8
94.59352	1.6
98.22620	3.8
105.03395	5.7
107.94540	1.8
184.74989	1.6
196.55040	1.6
253.08623	3.8
263.06931	2.9
265.08600	2.7
266.09109	2.5
267.06363	2.8
267.10126	3.8
269.08417	3.4
278.09366	2.7
279.10071	3.3
280.07358	2.7
281.08060	3.1
281.11646	2.7
282.12265	2.8
283.06201	2.2
283.09628	4.9
284.06781	5.7
285.07465	3.5
293.08365	2.0
293.11725	1.8
295.09552	10.1
296.10196	1.8
297.07571	5.3
297.11224	4.6
298.08432	2.5
299.09079	8.0
300.06476	2.8
300.09708	3.3
309.11047	3.4
310.08698	2.5
310.11929	10.7
311.09048	7.1
311.12488	3.1
312.09811	6.0
313.10623	5.0
313.14447	2.7
314.11215	1.9
315.08783	2.6
315.12183	2.0
320.10300	3.0
321.11288	2.4
325.10757	8.9
326.11319	10.4
327.08618	7.5
329.10156	2.5
336.09778	2.5
340.13000	27.2
341.10098	10.8
341.13797	19.1
342.10870	16.1
342.14383	2.3
343.11722	5.6
351.12354	3.7
356.12445	20.3
357.13135	5.4
358.10284	3.9
366.14633	11.0
367.15277	2.3
369.13339	2.4
371.14886	46.3
372.15280	3.2
373.12766	19.7
383.14822	11.5
384.15631	6.4
397.16507	5.8
415.17508	100.0
416.17673	7.5
511.18613	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
53.25890	0.4
55.01868	1.0
55.05502	2.3
57.03431	0.5
65.03937	0.6
67.05503	4.5
69.02143	4.5
69.03436	1.7
69.07066	1.2
71.04997	0.6
79.05492	6.5
81.03471	0.8
81.07059	12.7
83.04985	3.0
83.08622	0.9
83.44299	0.5
91.05479	8.7
93.07047	10.8
94.07386	0.4
95.04966	4.0
95.08607	5.8
97.02908	3.6
97.06533	6.1
99.04474	4.0
103.05472	0.5
105.07033	8.6
107.04956	3.4
107.08595	6.6
107.09276	0.6
109.02892	0.8
109.06526	7.3
109.09492	0.5
109.10173	2.0
111.04453	2.0
111.08083	7.4
113.06049	0.8
115.05489	1.6
116.06295	0.6
117.07011	5.0
119.04935	0.9
119.08578	7.1
119.09354	0.8
121.06501	9.2
121.10157	1.9
123.04442	3.4
123.08064	4.3
124.05225	0.5
125.05991	4.3
125.09618	0.8
127.03886	0.7
128.06245	2.1
129.07002	4.5
130.07802	0.7
131.04979	0.8
131.08575	8.4
133.06485	1.2
133.10123	4.0
135.08086	4.4
137.05978	17.3
137.09599	1.3
139.03781	0.5
139.07541	9.0
141.07011	2.3
142.07758	2.5
143.08549	6.4
144.09299	1.4
145.06461	4.9
145.10136	7.1
146.07198	0.5
147.04436	0.6
147.08052	5.8
147.11694	2.4
149.05992	6.3
149.09552	2.2
151.07571	1.6
153.05377	0.6
153.06992	0.6
153.09093	0.6
154.07793	2.2
155.08556	4.3
156.09297	1.3
157.06537	1.0
157.10152	6.9
158.07310	0.7
158.10754	0.6
159.08051	5.6
159.11693	4.2
161.05971	1.1
161.09579	3.2
161.13336	0.6
163.07553	6.7
163.11200	1.3
165.05475	1.2
165.07007	0.6
165.09122	0.6
166.07790	0.6
167.07043	37.9
167.08443	2.1
168.07550	0.6
168.09364	0.8
169.08696	1.7
169.10112	29.1
170.10629	1.6
171.08101	2.2
171.11714	3.1
172.08853	1.2
173.05954	0.8
173.09627	4.6
173.13206	2.2
174.10373	1.1
175.07571	1.7
175.11179	4.6
177.09116	2.8
177.12810	1.2
179.08565	1.0
180.09358	0.6
181.06517	0.5
181.10143	2.4
182.10693	0.4
183.08081	1.0
183.11719	3.2
185.09659	4.2
185.13272	2.0
187.07509	0.9
187.11182	9.9
188.11850	1.1
189.09158	1.2
189.12749	1.7
191.07094	1.3
191.10686	0.8
192.09250	0.7
193.10165	1.0
194.10970	1.0
195.08142	0.9
195.11720	1.6
196.08884	0.5
197.09612	1.0
197.13327	1.5
198.13803	0.5
199.07635	0.6
199.11157	2.2
199.14868	1.0
201.09113	1.6
201.12804	2.6
203.07053	0.6
203.08755	0.7
203.10619	4.4
203.14355	1.0
205.08531	0.7
205.10269	0.9
205.12088	2.9
206.10898	0.6
207.10101	0.8
207.11752	1.2
208.12331	0.6
209.09744	1.0
209.13271	2.4
211.11237	1.4
211.14885	1.5
213.09241	1.1
213.12762	2.9
215.10655	1.1
215.14322	0.8
219.10158	1.2
221.09717	0.6
221.11586	1.1
221.13504	0.6
223.11238	1.0
223.14789	0.7
224.08528	0.5
225.12672	0.6
227.14351	1.8
228.15144	1.7
229.08600	0.7
229.12274	1.2
231.10133	0.6
231.13939	0.6
232.12619	0.8
233.11490	0.7
233.13512	0.9
234.10304	0.5
235.14845	0.7
237.16360	0.6
241.15872	0.5
243.13940	0.7
245.15419	1.0
247.09589	1.0
247.13081	0.9
249.12791	0.7
251.14377	1.1
255.13907	0.8
257.11554	0.6
263.14252	0.9
265.10703	40.1
266.11008	2.4
275.14334	0.6
281.19077	0.6
290.11136	0.6
293.15372	0.6
295.16916	0.5
305.15332	0.5
305.18909	0.6
311.19931	0.7
323.20041	0.6
337.14371	0.5
343.15164	1.3
344.00623	0.5
351.19492	1.1
355.15311	1.1
369.20682	1.4
373.16608	0.7
395.18738	0.7
413.20413	0.7
417.14899	0.8
421.22589	1.2
431.21014	1.3
437.23297	0.9
439.25107	0.8
449.23386	2.9
450.23309	0.8
455.24313	1.7
465.22830	1.7
467.24301	41.8
468.24606	4.2
483.23743	5.6
484.23914	0.8
485.25345	100.0
486.25702	11.4
493.22113	3.6
494.22516	0.7
501.24701	2.8
511.23273	20.0
512.23706	2.3
529.24255	9.2
530.24542	1.0
547.25543	2.6
555.21619	0.7
582.20685	1.0
582.28839	2.9
582.41522	0.7
583.21326	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85509	0.9
51.33503	0.8
53.03963	0.8
55.05503	1.1
67.05515	2.1
69.03439	2.9
70.90541	1.9
71.05029	0.8
76.02739	1.0
78.65923	0.8
79.05496	5.0
81.07063	10.2
83.04998	3.4
91.05480	7.0
93.07069	5.6
95.04948	4.3
95.08620	3.7
97.02883	2.0
97.06534	2.5
99.04454	3.3
105.07028	6.2
107.04961	1.5
107.08600	3.4
109.02829	0.9
109.06537	6.8
109.10202	0.9
111.04456	2.1
111.08070	6.9
115.05444	2.0
117.07032	4.9
119.08586	6.9
121.06509	6.0
121.10127	1.2
123.04444	2.3
123.08088	2.5
125.05967	4.0
128.06197	1.7
129.07045	4.0
131.04947	1.1
131.08583	5.2
133.06499	2.4
133.10126	3.0
135.08049	4.2
137.05981	12.5
139.06607	1.1
139.07564	7.8
141.06975	1.7
142.07814	1.6
143.08580	5.1
145.06499	6.3
145.10136	6.1
146.07254	1.3
147.08041	10.1
147.11697	2.4
149.05992	5.5
149.09596	5.0
154.07741	1.0
155.08542	5.3
156.09218	1.1
157.06454	1.0
157.10179	4.6
159.08092	4.9
159.11725	1.9
160.08698	1.1
161.09622	28.4
162.09990	1.5
163.07547	6.3
163.11217	2.2
167.07047	31.1
169.08765	1.2
169.10123	2.5
171.08057	3.4
171.11710	3.3
173.09619	40.9
174.10153	2.8
175.07565	1.6
175.11188	20.2
177.09169	2.6
180.09419	1.1
181.10214	1.2
183.08011	0.9
183.11679	2.1
185.09598	3.6
186.10226	1.2
187.07535	1.4
187.11211	3.8
188.11774	1.0
189.09140	1.9
189.12776	1.6
191.06969	1.1
191.10669	1.7
195.11674	1.2
197.09630	1.4
197.13292	2.4
199.11165	8.1
200.11754	1.1
201.09059	2.6
201.12769	1.8
202.13588	1.3
203.10669	3.3
203.14217	0.8
205.10312	1.0
207.10028	1.1
209.13370	1.2
213.09123	1.1
213.12766	4.7
213.14488	0.8
214.13481	5.4
215.10661	1.2
215.14337	3.5
216.15045	1.9
217.12181	1.7
219.10141	4.6
225.12845	1.0
227.10760	1.1
227.14403	1.3
229.12119	1.5
231.13736	1.5
235.15019	1.3
237.12807	1.2
239.14410	1.8
245.11685	1.6
245.15318	1.6
247.09659	1.2
249.12796	1.2
265.10712	35.1
266.10953	1.9
269.15289	3.1
272.10226	1.0
273.10977	19.0
283.13226	1.1
290.11288	2.7
301.10513	4.1
313.14182	7.1
322.10205	1.2
327.19565	1.3
328.16483	1.2
337.17871	1.7
345.16830	1.7
355.19009	1.9
359.14636	1.5
363.10522	2.7
373.16107	1.8
403.21548	1.0
417.15152	4.1
417.20313	1.4
421.22079	5.8
423.21506	1.4
435.21558	2.9
437.23358	4.3
441.22678	10.5
453.22736	80.1
454.23114	9.6
455.24280	26.4
456.24564	2.4
463.21356	1.8
465.22632	5.8
471.23486	3.1
481.22238	17.9
483.23764	29.9
484.24118	3.4
493.22275	1.1
499.23328	10.2
500.23724	1.1
501.24756	2.8
511.23480	4.2
529.24231	10.0
530.24524	1.7
547.25555	7.8
555.21716	1.1
582.28510	3.2
583.21497	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.0
55.05512	1.3
56.38469	0.5
62.76136	0.5
67.05502	1.8
69.00403	4.2
69.03427	16.6
69.07087	1.2
79.05503	2.2
81.03419	0.8
81.07057	6.1
83.04982	1.1
85.02903	1.4
85.06527	0.5
87.04478	1.5
91.05481	3.8
93.07036	3.4
95.04986	3.4
95.08617	3.3
97.02886	0.8
97.06541	1.8
98.22607	0.8
99.04473	0.7
105.07026	3.4
107.04952	0.9
107.08596	3.3
109.06518	6.5
109.10158	2.0
111.04429	0.9
111.08085	1.9
113.06030	0.7
113.09637	1.6
115.03915	0.7
115.05518	0.8
117.07005	2.5
119.04951	1.0
119.08570	2.9
121.06501	5.0
121.10164	1.8
123.04463	0.7
123.08057	3.6
123.11732	0.9
127.03915	0.9
128.06226	1.8
129.07002	4.5
131.04968	0.7
131.08554	3.3
133.06490	2.6
133.10117	1.2
135.08060	5.4
135.11674	1.0
137.05963	3.4
137.09648	1.3
137.13235	0.8
139.07550	15.5
140.07938	0.6
141.06978	1.6
142.07791	1.0
143.08557	5.3
145.06491	1.6
145.10172	4.0
147.08080	3.4
147.11620	1.2
149.05972	1.3
149.09607	7.9
149.10683	0.6
149.13190	0.6
151.07536	2.5
154.07802	0.9
155.07219	0.9
155.08571	3.6
157.06534	0.8
157.08746	0.7
157.10149	2.4
159.08070	2.6
159.11731	2.2
161.09651	2.3
163.07532	0.7
163.11250	1.4
165.09157	2.0
167.07146	0.8
167.08578	1.3
169.08688	1.3
169.10143	5.9
171.08084	1.6
171.11742	2.0
173.06042	0.9
173.09639	4.4
173.13275	0.6
175.07599	1.7
175.11230	3.3
177.09175	1.7
179.07097	0.6
179.08562	0.9
181.08612	1.6
181.10175	1.7
183.08090	1.3
183.11722	2.2
184.07410	0.9
185.05975	0.6
185.08179	0.6
185.09642	2.1
185.13306	0.9
186.10419	0.7
187.07591	0.8
187.11169	4.3
189.09082	3.1
189.12709	1.0
191.07077	0.7
191.08679	0.7
191.10562	1.2
192.09297	0.7
193.08607	1.6
193.10228	1.8
194.10869	0.6
195.06599	0.7
195.10162	12.7
195.11740	2.1
196.08791	0.6
197.09695	2.3
197.13254	1.1
199.07527	0.8
199.11246	1.8
201.09073	1.6
201.12759	0.6
203.08885	0.8
203.10736	2.3
203.14412	0.9
205.10187	0.8
205.12245	0.8
205.19565	1.0
207.10164	2.1
207.11745	1.5
209.09772	1.2
209.11588	0.8
209.13371	1.1
211.07674	0.8
211.09491	1.0
211.11293	3.0
213.09152	2.1
213.12790	1.8
214.09732	0.8
215.10637	3.0
217.08456	0.8
217.10339	0.6
217.12206	0.7
219.11806	0.7
221.09724	1.0
221.11569	4.1
223.11162	1.6
223.20686	0.6
225.09090	1.3
225.12683	0.8
227.10742	1.1
227.14211	0.6
229.12303	1.6
231.10085	0.8
231.13876	0.6
233.11726	2.0
235.11270	1.1
235.14799	0.7
237.12808	1.1
239.10774	1.4
239.14304	0.9
241.08426	0.6
241.12297	1.8
243.10199	2.0
245.11635	0.9
249.12813	0.8
251.10643	0.8
251.14337	1.1
253.12257	1.4
253.15915	0.8
255.13893	1.5
257.11832	0.7
259.13406	2.1
261.13040	0.6
263.14282	0.8
265.12241	1.3
265.15845	0.7
266.12845	0.7
267.13916	1.0
269.11716	0.6
271.13208	1.0
275.14551	0.6
279.13919	0.9
279.17374	0.6
283.13467	1.9
285.11356	1.0
287.13525	0.5
293.15457	1.0
293.18915	0.6
297.14954	1.2
299.16486	0.8
301.14401	0.7
303.12231	3.7
305.19028	0.5
307.13382	0.9
309.14941	0.7
311.19913	0.7
313.14066	0.7
325.14178	1.2
337.18024	0.9
343.15491	0.7
345.18561	0.8
349.18143	1.3
351.19504	0.7
355.15497	1.2
361.17477	0.6
363.19858	1.1
365.17389	0.8
377.17395	1.0
381.20593	1.3
387.19919	0.7
391.19012	1.8
393.20673	1.4
395.18353	0.9
397.19998	1.5
401.17273	0.7
405.20947	0.9
409.20242	0.8
419.18506	1.2
421.23660	0.9
423.21567	2.0
425.19385	1.3
433.20132	2.2
437.19290	0.9
439.20267	0.7
441.22803	2.4
443.20667	1.7
447.21658	0.9
449.23438	2.0
451.21045	5.2
453.22818	1.6
455.20776	1.6
465.22806	3.2
467.24326	8.4
468.97638	0.6
469.21933	3.1
471.23743	2.4
473.21689	3.3
475.21124	1.4
483.23651	5.7
484.23886	0.6
485.25415	2.0
487.23108	3.4
489.24799	2.8
493.22162	11.9
494.22537	1.1
499.22678	0.8
501.24768	2.0
511.23254	25.4
512.23718	2.9
519.25903	1.6
529.24323	100.0
530.24719	9.9
537.21466	0.6
547.25366	23.1
548.25476	3.1
583.21301	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09310	1.5
53.03945	2.6
55.01902	1.7
55.05510	3.6
57.03421	1.8
58.12717	1.5
65.03938	2.2
67.05499	7.3
69.00396	15.7
69.03429	8.2
69.07053	2.7
76.58580	1.5
79.05502	8.6
81.07054	16.5
83.04998	12.3
86.09702	5.0
86.54897	1.4
91.05486	18.2
93.07030	15.8
94.11115	1.5
95.04967	15.3
95.08609	6.0
97.02888	6.2
97.06542	6.3
99.04459	4.8
103.05444	2.8
105.07034	11.4
107.04960	5.0
107.08596	8.6
109.06514	16.1
109.10130	3.9
111.04461	4.0
111.08097	13.2
114.06290	1.4
115.05480	3.5
117.07043	10.8
119.08578	14.5
121.06487	10.6
121.10121	4.5
123.04428	6.5
123.08089	11.0
125.00036	2.3
125.05968	7.2
125.09656	2.4
128.06241	3.0
129.07011	10.0
131.08556	13.8
133.06506	4.3
133.10107	7.9
135.08061	6.4
137.05983	28.7
137.09650	2.0
138.06665	1.4
139.07532	13.7
141.06955	3.3
142.07744	2.3
143.08571	14.8
144.09377	2.0
145.06520	15.6
145.10130	13.3
147.08034	11.7
147.11687	2.9
149.06017	8.6
149.09615	5.1
151.07562	4.7
153.05453	1.9
153.07024	2.0
154.07771	5.3
155.08556	23.6
156.09232	2.6
157.10129	11.6
159.08035	10.0
159.11705	6.1
161.09613	5.9
161.13210	2.0
163.07521	13.0
163.11177	1.9
164.07942	2.1
165.09062	2.6
167.07048	45.5
167.08519	4.8
168.09464	2.0
169.08664	4.4
169.10091	27.4
170.10898	1.6
171.08047	7.7
171.11658	4.3
172.08653	2.6
173.05963	3.9
173.09628	16.3
175.07552	4.4
175.11192	6.8
177.09082	3.3
179.08429	2.5
180.09372	1.7
181.08641	2.1
181.10173	4.6
183.08040	3.3
183.11703	6.0
184.07338	17.0
185.09546	12.0
185.13208	4.5
187.07578	2.2
187.11157	12.5
189.09160	5.0
191.06995	3.8
193.08548	4.0
193.10164	3.5
194.10854	2.1
195.07954	3.5
195.11732	6.6
197.09645	5.5
197.13361	3.6
199.07411	2.3
199.11200	4.5
199.14755	2.1
201.09122	3.2
201.12709	5.0
203.10675	2.7
203.14417	1.9
206.10815	2.7
207.10083	1.8
207.11768	3.9
209.08023	2.8
209.09778	2.7
209.13257	4.2
211.07576	1.7
211.11221	6.1
213.09093	6.9
213.12788	2.2
215.10667	2.9
219.09982	2.4
221.13290	2.1
223.11238	3.3
223.14783	3.2
225.09076	3.6
225.12671	2.5
227.10774	2.8
227.14311	5.2
229.08519	2.5
229.12181	4.5
230.10779	1.8
231.10112	4.4
237.12802	2.1
239.14249	2.9
253.12172	1.8
257.15393	2.5
265.10703	47.9
266.11002	3.5
267.13727	3.2
269.15311	3.4
273.10858	10.8
281.15378	2.1
285.14996	2.1
301.10626	2.0
313.14203	2.9
317.10345	1.9
325.14246	1.6
329.13181	2.1
341.13782	1.9
345.16873	3.0
359.14600	5.7
363.10468	1.8
385.20135	3.9
395.18674	1.8
403.21082	4.0
413.19406	4.8
431.20862	2.0
435.21555	5.4
437.22964	2.3
447.21790	4.2
449.23083	5.5
453.22812	47.0
454.23105	5.3
455.24277	16.5
461.26721	2.1
465.22577	5.5
467.24292	32.8
471.23453	3.1
475.21112	4.6
483.23767	26.4
485.25473	20.5
486.25601	2.8
493.22183	33.4
494.22479	3.9
501.24652	3.4
509.21518	3.3
511.23352	23.6
512.23431	1.9
521.21185	2.1
529.24335	37.6
530.24292	5.0
537.20612	2.6
547.25995	8.7
565.20605	4.5
582.29022	6.3
583.21460	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62842	2.1
55.05505	2.4
67.05509	5.5
69.03429	17.8
69.07062	4.2
69.56377	12.7
79.05487	4.6
81.07060	12.8
85.02915	3.8
91.05502	12.0
93.07072	7.0
95.04957	9.1
95.08596	6.6
97.02908	3.5
97.06525	4.0
105.07045	11.1
107.04956	2.8
107.08606	5.7
109.06512	20.3
109.10187	2.2
115.03933	2.6
115.05463	3.0
117.07050	5.0
119.08591	5.8
121.06515	6.0
121.10128	3.4
123.04402	2.9
123.08081	7.0
125.05984	5.3
128.06227	3.8
129.07028	8.0
131.04910	3.7
131.08566	5.1
133.06473	4.9
133.10110	4.6
135.08038	18.8
137.05977	30.5
137.09654	3.6
138.06335	3.0
139.07506	13.9
141.07014	3.0
143.08549	9.0
145.10159	8.9
147.08034	5.4
147.11699	3.8
149.09644	10.3
153.05377	2.7
153.09145	4.2
155.08539	7.3
157.06500	3.6
157.10129	8.3
158.94923	2.4
159.08075	5.2
159.11685	5.2
161.05928	3.7
161.09596	9.1
163.07532	3.2
165.07063	2.7
165.09138	18.5
167.07095	4.1
167.08453	5.1
169.06381	3.1
169.10159	10.6
171.08029	6.4
173.06012	4.3
173.09648	6.8
175.11148	3.2
177.09172	4.3
179.10670	3.8
181.04904	2.6
181.08611	12.3
181.10149	5.8
183.08051	4.4
183.11694	5.5
185.05910	2.9
185.09579	14.1
187.11186	9.2
189.09145	7.2
193.10155	5.6
195.08087	3.0
195.10062	4.9
195.11676	5.7
197.09630	5.7
199.11250	9.0
201.09160	3.1
206.10661	2.5
207.08145	4.5
207.11778	3.9
209.09885	3.1
209.11667	5.9
209.13362	4.0
211.07631	4.6
211.09642	19.2
211.11235	4.3
213.09097	29.1
213.12703	3.6
215.10634	2.8
219.11853	2.6
221.09833	2.9
221.11699	4.2
223.11188	6.3
225.09236	3.7
225.12694	4.1
227.10646	3.0
229.12175	4.8
231.10074	5.2
233.13257	4.2
236.11989	2.7
237.12775	5.2
239.10730	3.8
241.12334	3.7
243.10097	22.7
249.12506	4.1
251.14421	3.1
253.12238	3.9
253.15839	2.9
255.13896	3.7
265.15921	2.3
267.10147	2.9
267.13605	3.6
273.11264	7.2
277.12570	4.3
277.15805	3.2
278.16522	3.5
283.11856	8.4
285.11163	4.8
295.13586	2.5
303.12234	41.5
307.17050	2.8
309.14865	3.5
324.47482	2.6
347.16498	7.5
355.15521	6.1
365.17380	5.2
373.16394	4.1
402.16223	3.8
414.48389	3.0
421.20065	12.9
437.19614	4.2
439.21088	7.9
441.22620	5.4
451.20969	10.0
453.22522	3.0
455.20300	3.6
469.22211	28.6
471.23691	5.0
475.20905	3.4
483.23300	4.5
487.23257	100.0
487.30386	5.0
488.23422	11.2
491.20105	3.6
493.22147	18.8
503.26239	3.2
509.21454	8.5
511.23163	52.8
512.23218	3.8
529.24292	64.4
530.24530	9.1
537.21021	3.6
547.25262	12.3
583.21411	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	13.4
55.05502	35.8
65.03918	7.3
67.05511	53.7
69.03437	16.9
69.07062	14.6
71.30811	7.6
71.31172	11.1
74.72639	6.3
79.05484	40.8
81.03407	22.7
81.07055	35.9
82.57296	6.8
83.04987	100.0
85.02911	8.8
91.05479	43.5
93.07045	76.4
95.04964	29.8
95.08598	61.7
96.85886	5.9
97.02915	11.5
97.06523	20.9
99.04491	8.4
103.05495	10.5
105.07037	75.2
107.04962	10.6
107.08591	32.0
109.06490	33.9
109.10178	53.3
111.04463	39.3
111.08094	26.5
115.05442	8.2
117.07020	24.8
119.08588	90.8
121.06531	20.5
121.10147	21.6
123.08065	27.7
125.09646	8.8
127.03944	7.5
128.06206	13.9
129.07019	24.8
130.07755	7.1
131.08562	61.7
133.06461	27.1
133.10164	48.7
135.08043	23.9
135.11720	9.0
137.05984	25.9
139.07504	36.8
141.06958	9.4
142.07738	23.7
143.08568	45.0
145.06462	8.3
145.10124	41.8
147.08066	17.0
147.11707	40.3
149.09555	14.8
151.07544	15.2
153.07013	12.8
155.08533	38.6
156.09329	12.6
157.10100	43.5
159.08044	19.7
159.11655	27.4
161.05939	10.7
161.09589	29.0
163.11180	7.1
165.06981	10.3
166.52008	8.3
167.08577	12.5
167.31908	7.3
168.09375	9.7
169.10165	39.5
170.10910	11.4
171.07982	14.4
171.11659	30.1
173.09575	19.0
175.11212	10.8
177.09210	8.0
179.07179	8.0
179.08514	17.3
180.09283	8.9
181.10156	27.7
182.10870	10.2
183.11713	37.5
185.09624	15.4
185.13264	17.7
187.11230	19.6
189.09195	7.1
191.10730	9.2
192.09311	10.1
193.08580	34.6
193.10144	29.6
195.11696	29.6
196.12592	12.8
197.09679	7.9
197.13277	24.7
199.11235	10.8
199.14851	14.0
205.12253	9.1
206.10941	10.5
207.11685	32.6
208.12505	7.4
209.09630	14.4
209.13283	29.1
210.13956	8.0
211.14827	19.2
212.85176	8.1
213.09059	9.3
213.12761	14.7
215.10675	9.1
219.11777	12.6
220.12387	10.2
221.13272	18.3
222.13850	9.4
223.11205	13.5
223.14783	15.1
225.12799	18.4
227.14371	15.8
232.12524	10.0
233.13255	12.3
235.14880	16.0
237.12811	15.3
239.14299	29.1
240.14993	7.3
245.15549	11.0
249.16452	10.0
254.96696	8.3
257.15369	30.0
261.12665	8.7
263.17868	10.4
265.15933	11.1
275.13940	8.1
281.15323	9.9
283.17078	7.5
291.17355	9.7
303.17215	9.1
309.18491	8.1
331.15439	15.4
358.18860	8.7
373.16763	9.5
423.25052	12.8
431.26089	10.8
435.21481	12.4
447.25360	11.8
449.26605	11.0
457.23465	12.1
465.26373	10.4
475.24796	37.6
493.25626	24.5
511.26816	28.4
529.27441	25.0
582.41986	26.6
583.22437	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	11.5
55.26350	2.1
55.72852	2.3
56.10640	1.7
57.03438	5.3
57.07066	2.4
65.03941	2.0
67.05505	21.2
69.03452	1.8
69.07076	8.5
69.39773	5.8
69.40183	7.3
71.08609	2.2
79.05495	11.6
81.03413	14.7
81.07058	27.9
83.04983	4.8
83.08637	9.4
85.02866	3.0
91.05468	13.2
93.07063	11.1
95.04985	5.2
95.08603	15.2
97.10189	2.6
105.07047	8.2
107.08608	4.8
109.10162	6.4
111.08085	3.3
112.45370	2.0
112.98371	2.0
116.06298	1.9
116.51270	1.8
119.08579	6.8
121.10189	4.7
123.11729	2.8
129.07027	2.1
131.08574	2.4
133.10144	8.5
135.11688	2.4
143.08588	3.1
145.10158	1.9
147.11714	4.8
149.09619	2.6
149.35643	2.0
154.94826	1.9
155.97221	2.0
157.10144	4.4
175.11240	4.5
177.89590	2.0
193.12201	17.1
211.13329	20.3
232.32262	2.1
262.20670	2.0
267.16006	4.8
269.13629	5.9
270.13953	4.0
285.16980	19.3
287.51315	2.0
305.54306	1.8
325.16327	3.0
326.16428	2.6
326.44180	2.1
337.27365	41.6
338.27676	3.0
511.00470	2.4
529.39075	4.2
538.38312	2.6
547.39978	22.1
548.40436	2.8
582.40570	100.0
583.40894	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.0
55.05509	32.8
57.03438	14.7
57.07076	7.2
67.05506	60.1
69.07019	19.4
69.07375	21.7
77.47878	3.3
79.05504	27.2
79.88226	3.7
81.03422	47.6
81.07062	69.9
82.03727	4.3
83.04990	11.4
83.08621	31.4
85.02908	19.3
85.06568	3.7
91.05483	31.5
93.07043	27.0
94.07230	3.4
95.04966	22.8
95.08614	46.8
97.06523	5.1
97.10165	10.3
105.07020	27.1
107.04961	6.7
107.08593	13.4
109.06516	7.3
109.10143	16.3
111.08092	3.8
119.08584	23.2
121.10159	15.3
123.08084	7.5
123.11726	6.5
129.06981	4.1
131.08556	9.4
133.06532	4.3
133.10104	14.5
135.11693	10.3
137.13158	3.4
143.08617	4.4
145.10065	4.1
147.11644	20.3
149.09625	4.0
157.10101	8.2
159.11780	4.1
163.14893	3.7
175.11162	9.4
191.23320	3.2
193.12239	33.3
203.17889	4.6
211.13290	50.8
229.94992	3.4
267.15952	6.6
283.26349	16.5
285.16965	38.4
337.23398	5.9
337.27362	100.0
338.27460	8.9
354.93875	3.7
416.74490	3.6
440.33325	3.3
529.38721	6.0
547.31927	6.0
547.39905	98.7
548.40082	11.8
582.40686	28.4
583.40851	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.0
55.05509	32.8
57.03438	14.7
57.07076	7.2
67.05506	60.1
69.07019	19.4
69.07375	21.7
77.47878	3.3
79.05504	27.2
79.88226	3.7
81.03422	47.6
81.07062	69.9
82.03727	4.3
83.04990	11.4
83.08621	31.4
85.02908	19.3
85.06568	3.7
91.05483	31.5
93.07043	27.0
94.07230	3.4
95.04966	22.8
95.08614	46.8
97.06523	5.1
97.10165	10.3
105.07020	27.1
107.04961	6.7
107.08593	13.4
109.06516	7.3
109.10143	16.3
111.08092	3.8
119.08584	23.2
121.10159	15.3
123.08084	7.5
123.11726	6.5
129.06981	4.1
131.08556	9.4
133.06532	4.3
133.10104	14.5
135.11693	10.3
137.13158	3.4
143.08617	4.4
145.10065	4.1
147.11644	20.3
149.09625	4.0
157.10101	8.2
159.11780	4.1
163.14893	3.7
175.11162	9.4
191.23320	3.2
193.12239	33.3
203.17889	4.6
211.13290	50.8
229.94992	3.4
267.15952	6.6
283.26349	16.5
285.16965	38.4
337.23398	5.9
337.27362	100.0
338.27460	8.9
354.93875	3.7
416.74490	3.6
440.33325	3.3
529.38721	6.0
547.31927	6.0
547.39905	98.7
548.40082	11.8
582.40686	28.4
583.40851	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30588	4.2
53.03934	7.4
55.01864	4.6
55.05521	31.2
57.03434	18.1
67.05511	68.0
69.03442	5.6
69.07065	23.4
71.04990	6.9
71.30173	7.8
71.30843	5.3
79.05489	39.7
81.03425	51.5
81.07057	74.7
82.41325	4.2
83.04974	20.2
83.08631	31.9
85.02892	23.3
91.05486	48.3
93.07037	41.5
95.04962	24.7
95.08596	38.4
97.06542	7.5
97.10155	6.6
105.07037	31.3
107.04964	9.4
107.08604	19.3
109.06532	5.7
109.10149	17.3
111.08092	17.4
119.08569	22.6
121.10140	18.7
123.11720	8.9
129.07013	9.4
131.08585	13.2
133.10139	20.0
142.07802	5.2
143.08565	6.7
145.10110	15.2
147.07985	6.8
147.11670	19.9
157.10135	21.7
169.10118	4.4
175.11160	16.0
175.14842	5.7
193.12219	49.5
211.13290	100.0
211.15176	9.0
221.15315	5.4
245.22643	6.8
263.23608	8.0
267.15881	20.2
285.16934	92.2
286.17505	6.5
337.27341	91.9
338.27792	6.0
547.40002	82.9
560.37744	5.3
582.40735	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
57.03420	0.6
61.02919	0.9
62.17494	0.5
62.17849	0.5
67.58653	0.5
69.03443	2.5
71.29504	0.6
73.02916	1.4
81.03446	1.2
85.02910	6.9
85.73643	0.5
97.02893	2.9
99.04467	0.7
105.07055	1.3
109.02860	0.7
111.04443	0.6
115.03939	1.2
123.04531	0.5
127.03915	100.0
128.04276	2.4
133.04974	0.5
145.04958	1.7
151.09109	0.6
163.05862	0.6
169.14229	0.4
177.05414	0.7
182.05174	0.5
183.55290	0.5
204.64711	0.4
289.09235	5.2
522.95477	0.5
583.16431	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1937
Annotation	2,6-Dihydroxy-4-methoxy-5-C-methyl-3-C-[5,7-dihydroxy-3-methoxyflavon-8-yl]dihydrochalcone
Peak:m/z	Relative Intensity
56.96560	0.9
69.54179	2.1
98.23312	0.8
137.06006	1.2
160.99402	0.4
243.40779	0.4
583.19379	100.0
584.19708	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80849	0.7
69.81199	0.5
76.21785	0.2
77.40192	0.2
110.17957	0.2
137.05968	0.5
210.90230	0.2
214.87349	0.2
217.85034	0.2
273.08899	0.7
290.08960	0.3
301.08340	0.4
313.11990	0.6
363.08466	0.6
386.17078	0.3
407.13904	0.3
443.10110	0.3
450.12567	0.3
555.19885	0.5
568.42780	0.3
583.19434	100.0
584.19800	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1934
Annotation	2,6-Dihydroxy-4-methoxy-5-C-methyl-3-C-[5,7-dihydroxy-3-methoxyflavon-8-yl]dihydrochalcone
Peak:m/z	Relative Intensity
61.81387	0.4
70.73624	0.9
137.06012	0.4
243.30927	0.4
273.10913	0.5
290.10904	0.5
301.10516	0.4
306.52988	0.4
343.15189	0.6
354.07593	0.4
366.89346	0.5
386.16986	0.8
417.15234	1.1
439.38870	0.4
460.45621	0.4
555.21436	0.7
565.19666	0.7
583.19690	100.0
584.20123	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
64.82591	0.3
69.03434	0.3
69.88669	0.3
71.30454	0.4
71.30846	0.3
71.82441	0.2
89.42376	0.2
91.05494	0.3
97.51919	0.2
103.05467	0.7
112.67287	0.3
113.16714	0.2
123.04454	0.4
131.04924	2.5
131.41893	0.3
137.05997	1.6
151.03893	0.6
163.07594	0.2
167.07106	0.5
262.73886	0.3
287.09027	0.3
295.13266	0.3
317.08661	0.5
319.06326	0.5
319.71390	0.3
323.12823	0.4
343.51532	0.3
355.15421	1.2
357.13086	0.3
387.18124	2.0
477.18756	0.7
491.20361	0.6
493.18451	0.5
509.21350	1.4
521.20935	1.3
531.22644	0.3
537.21051	0.9
539.22473	1.0
565.20441	5.7
566.20538	0.4
583.21442	100.0
584.21759	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06470	2.9
70.07568	0.3
81.07058	0.5
84.46405	0.3
91.05511	0.8
93.07040	0.8
94.89352	0.3
95.05000	0.4
97.02704	0.5
97.06520	0.3
105.07038	0.3
109.06575	0.5
119.08586	0.5
121.06535	0.5
123.04373	0.3
129.06996	0.4
137.06017	1.2
139.07570	0.4
145.06500	0.4
145.10162	0.4
147.08078	0.6
149.05933	0.4
149.09561	0.5
155.08578	0.5
155.54698	0.3
159.11853	0.3
160.08476	0.4
161.09679	1.3
162.10025	1.0
163.07521	0.6
163.11188	0.4
164.07884	0.4
167.07010	2.0
168.07425	0.6
171.11720	0.3
173.09633	2.3
174.10043	0.9
175.11194	1.5
176.11658	0.7
199.11259	0.5
200.11427	0.6
201.09195	0.4
214.13551	0.5
217.15430	0.3
229.11972	0.4
259.09363	0.4
265.10696	2.1
266.11151	1.2
269.15121	2.6
272.10236	0.3
273.10980	18.5
274.11426	0.5
275.08994	0.5
290.11365	2.6
291.11981	0.5
297.14600	0.3
301.10480	3.9
301.69873	0.4
313.14099	5.8
315.15759	0.6
319.07962	0.4
319.11542	0.4
322.10336	1.3
327.15613	0.7
327.71899	0.3
328.16388	0.8
329.13837	0.4
331.15152	0.9
332.12323	0.6
341.13861	0.5
345.16763	1.4
359.14862	1.4
362.89758	0.4
363.10498	2.2
372.15298	0.3
373.16501	0.9
384.19348	0.3
390.16339	0.5
417.15149	3.4
418.15811	1.0
419.17078	0.4
442.23206	1.1
453.22723	1.5
454.23093	5.7
455.24170	0.7
456.24802	1.3
467.23959	0.4
482.22586	1.3
484.24188	2.6
500.23901	0.5
512.23865	0.4
548.25415	0.5
555.21893	1.0
583.21490	100.0
584.21820	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91205	0.3
90.62004	0.2
91.05518	0.3
92.67472	0.3
94.60811	0.3
96.99007	0.7
97.99789	1.2
104.54858	0.3
135.18845	0.2
148.07320	0.3
160.04961	0.7
181.88771	0.3
185.23479	0.2
191.06754	0.4
199.10980	0.6
204.07640	0.8
227.10355	0.6
229.08395	0.6
230.09129	0.4
230.81261	0.3
237.07375	0.3
253.15627	5.7
254.16292	1.1
271.09421	0.3
273.10980	4.0
274.11325	0.3
283.13187	0.4
290.11258	0.6
297.14566	0.4
298.15405	0.5
299.16104	0.4
301.10461	1.1
313.14069	1.4
315.15677	0.7
325.14185	0.7
328.16409	0.6
343.15176	3.3
344.16080	0.3
345.09747	0.3
355.15158	0.3
363.10583	1.1
371.14752	0.4
373.16144	0.4
403.14230	0.4
417.15363	2.1
418.16095	0.3
450.14737	0.6
463.20911	0.5
481.21890	0.5
491.20349	1.3
493.18628	0.8
509.21490	9.4
510.21844	1.1
521.21509	1.2
537.20923	3.2
539.22772	0.7
555.21832	0.8
583.21472	100.0
584.21826	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	0.5
79.48464	0.3
91.05476	0.4
93.07040	0.4
96.25865	0.2
97.06532	0.3
106.62779	0.2
120.83944	0.3
137.05992	0.4
145.06441	0.3
147.52620	0.3
149.05927	0.3
163.07458	0.3
167.07050	0.6
169.10167	0.3
175.11172	0.3
189.12822	0.5
211.11186	0.3
229.15796	0.2
235.77267	0.3
244.18269	0.4
251.14024	1.4
253.22076	0.3
265.10751	0.3
266.16504	1.5
269.15225	0.9
273.10965	5.0
273.13776	0.4
275.08624	0.3
285.14853	0.4
290.11249	2.7
291.08655	0.3
291.12048	0.8
301.10471	3.3
305.10178	0.4
319.11624	0.3
322.10266	0.8
326.14893	0.4
327.15509	0.4
328.16431	0.6
331.15237	1.0
341.13623	0.4
343.15210	0.6
345.16846	0.7
347.10980	0.7
355.15265	0.6
357.17068	0.4
359.14822	0.3
361.12708	0.5
363.10574	2.1
373.16095	0.4
403.13614	0.4
417.15274	3.8
418.16025	1.0
419.16562	0.6
468.24716	0.7
485.24915	0.3
486.25607	1.5
493.22186	0.7
521.21497	2.5
555.21918	2.3
583.21246	100.0
584.21613	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.05511	85.5
56.05849	1.1
66.90388	0.6
67.05508	1.3
69.14512	4.4
83.04980	100.0
84.05323	1.8
93.07043	0.7
95.08551	0.6
98.22531	1.1
119.04780	0.6
131.08534	0.7
135.85202	0.7
141.05482	0.7
141.60733	0.6
143.08589	0.8
145.06444	1.1
154.75357	0.7
161.56926	0.6
165.06990	1.6
169.06509	0.7
173.05852	0.8
174.06833	0.7
176.06261	0.8
178.07745	1.3
179.08479	1.6
181.06450	0.8
182.07143	0.7
189.07062	0.8
189.09076	2.0
193.09985	0.7
194.07214	2.4
195.08069	1.7
196.05191	0.8
197.09624	0.8
202.06195	1.5
205.06451	2.6
206.07179	1.0
207.04146	0.7
207.08006	1.4
208.08710	0.9
209.05852	0.8
209.09608	1.8
210.06734	1.0
211.07423	1.1
212.04663	0.8
218.07152	0.7
219.08031	2.0
220.05173	1.0
221.05948	1.0
222.06717	3.7
223.07545	2.2
224.08247	0.9
225.05421	1.6
225.09062	2.1
226.06221	0.8
227.06998	0.7
228.04248	1.0
232.05254	0.9
233.05898	1.8
234.06694	2.3
235.07437	3.7
236.04515	1.1
236.08156	1.5
237.05389	1.5
237.09047	4.9
238.06171	1.7
239.06953	1.7
239.10670	0.9
240.04129	3.8
240.07753	0.9
241.04649	1.0
241.08467	0.9
243.02840	1.1
247.07515	1.9
248.04741	1.1
249.05386	1.5
249.09061	1.3
250.06299	5.7
251.06989	4.9
252.07713	2.1
253.04939	3.0
253.08493	1.9
254.05647	2.3
255.06557	0.8
255.10088	1.8
257.04413	1.0
261.05444	1.2
262.06186	1.3
263.07080	7.4
264.07651	3.2
265.04947	2.4
265.08530	14.6
266.05652	3.6
266.09125	2.0
267.06467	4.0
267.10089	1.3
268.03467	1.5
268.07169	2.4
269.04312	1.2
269.11642	0.8
271.06317	0.7
275.07080	1.7
276.07764	1.3
277.04794	2.4
277.08313	1.3
278.05756	4.5
279.06433	6.8
279.09738	1.5
280.07321	4.5
281.04614	1.5
281.07990	4.4
282.08548	0.9
283.05798	2.0
283.09485	2.0
285.07413	0.7
286.04834	3.8
290.05634	0.8
291.06488	5.4
292.07321	4.2
293.04666	1.3
293.08060	16.0
294.05237	1.2
294.08545	2.8
295.05930	3.2
295.09543	9.1
296.06723	1.9
297.07492	2.0
297.11035	0.9
299.05472	6.0
300.06058	1.5
301.07040	7.8
303.06348	0.8
304.07129	2.3
305.08130	1.0
306.05035	1.8
306.08478	0.8
307.05875	4.2
307.09564	1.7
308.06754	5.5
309.07513	7.9
310.04636	0.9
310.08188	1.8
311.05420	2.7
311.09082	5.9
313.06973	1.2
314.07819	5.2
315.08621	3.5
319.05789	1.0
320.06686	2.4
321.07547	33.8
322.08163	4.6
323.05618	1.4
323.09082	17.1
324.06223	0.8
324.09689	2.4
325.06860	3.4
325.10580	8.2
326.07712	4.7
327.08575	6.6
329.09982	1.0
332.06693	1.4
333.07452	1.4
335.05362	1.9
335.09021	1.3
336.06244	1.1
337.06845	1.8
337.10638	2.1
338.04184	1.0
338.07770	4.3
339.08612	7.4
340.09216	2.4
341.10178	18.3
342.10397	1.0
343.08157	4.3
350.07745	3.7
351.08615	7.3
352.09030	2.1
353.10196	56.7
354.10541	4.5
355.11752	28.1
356.11981	1.6
365.06067	1.0
365.10199	10.9
366.10428	1.1
368.08939	2.9
371.11273	10.4
383.11243	38.4
384.11322	2.4
396.11606	1.7
401.12128	2.9
421.12759	2.1
426.13028	5.5
427.13016	0.8
435.14288	1.6
437.15643	0.9
453.15192	2.7
465.15454	0.9
512.25653	0.7
584.29993	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	0.6
60.93410	0.4
67.05489	0.3
69.06741	2.9
74.09664	0.4
83.04971	1.8
97.21395	0.3
123.14379	0.3
132.83723	0.3
133.10103	0.4
141.01569	0.8
150.60300	0.4
154.86473	0.3
214.49095	0.3
228.11205	0.5
367.18793	100.0
368.19125	7.5
447.25064	1.5
465.26117	54.0
466.26428	5.8
520.93359	0.4
583.28772	59.2
584.29108	8.0
607.33069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.7
55.83640	1.1
65.47130	1.1
67.05498	3.2
71.30932	2.4
79.05494	1.6
81.03416	2.2
81.07055	1.7
82.39129	1.0
83.04966	1.5
91.05498	1.6
93.07067	2.7
95.08591	1.3
105.07032	1.9
107.08617	1.5
109.10139	1.7
119.08591	1.3
121.10151	1.4
123.04476	1.4
123.08086	1.2
127.70660	1.1
128.06287	1.0
128.49103	1.1
131.37453	0.9
133.10190	1.2
139.44296	1.0
145.10095	1.3
172.97641	1.0
206.07729	1.1
209.13367	1.1
212.94298	1.2
222.47852	1.0
232.08690	1.1
258.56631	1.1
435.25714	1.3
471.27463	1.4
487.21609	1.2
507.26962	3.0
525.92267	1.5
547.80597	1.2
551.26257	1.9
565.28668	1.8
583.29388	100.0
584.29938	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.7
55.83640	1.1
65.47130	1.1
67.05498	3.2
71.30932	2.4
79.05494	1.6
81.03416	2.2
81.07055	1.7
82.39129	1.0
83.04966	1.5
91.05498	1.6
93.07067	2.7
95.08591	1.3
105.07032	1.9
107.08617	1.5
109.10139	1.7
119.08591	1.3
121.10151	1.4
123.04476	1.4
123.08086	1.2
127.70660	1.1
128.06287	1.0
128.49103	1.1
131.37453	0.9
133.10190	1.2
139.44296	1.0
145.10095	1.3
172.97641	1.0
206.07729	1.1
209.13367	1.1
212.94298	1.2
222.47852	1.0
232.08690	1.1
258.56631	1.1
435.25714	1.3
471.27463	1.4
487.21609	1.2
507.26962	3.0
525.92267	1.5
547.80597	1.2
551.26257	1.9
565.28668	1.8
583.29388	100.0
584.29938	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.4
55.05508	9.4
57.07077	17.2
67.05505	24.0
67.83615	3.8
69.03444	11.0
69.07074	13.8
69.07440	3.9
69.27736	11.6
69.28154	18.4
71.04987	3.8
79.05504	18.7
81.07049	37.0
83.08611	9.0
91.05480	32.3
93.07055	44.6
95.04947	9.9
95.08601	48.0
95.30845	3.9
97.06625	4.4
98.22643	8.3
105.07032	53.0
107.08602	36.0
109.06535	5.2
109.10179	20.3
117.07040	8.8
119.08577	45.6
120.08952	4.0
121.06519	8.6
121.10156	37.8
123.08108	21.2
123.11735	7.0
128.06242	4.9
129.07028	12.3
131.08578	17.4
133.10161	27.2
135.08058	13.1
135.11748	8.6
137.09639	13.9
142.07777	8.1
143.08577	25.2
144.09433	4.7
145.10129	37.8
147.08057	25.1
147.11702	10.1
151.07565	31.3
155.08597	10.6
156.09326	13.5
157.10132	45.9
159.08199	4.5
159.11691	17.1
161.09642	9.2
161.13290	8.8
163.11192	10.6
165.09123	49.1
167.08553	6.7
169.10159	17.1
170.10944	6.0
171.11731	20.4
173.13306	16.1
175.14854	6.3
179.08530	6.1
181.10168	13.9
181.12221	4.6
182.10979	7.0
183.11633	19.9
183.21645	4.0
185.13264	20.5
189.12758	10.6
191.14371	6.1
193.10217	8.4
194.10876	7.7
195.11688	13.8
197.13298	13.1
199.14868	8.7
203.14377	27.5
206.11116	5.4
207.11755	10.9
207.13803	9.7
209.13245	21.4
210.14105	5.3
211.14792	10.5
213.12677	4.4
219.17468	8.7
221.13290	8.9
221.15329	68.4
223.14925	5.4
235.14772	12.3
237.16281	7.6
247.17282	4.7
251.18040	5.4
265.19492	6.2
275.18317	5.0
283.20544	6.7
295.20575	5.3
297.22321	4.7
349.25220	7.3
355.15317	10.1
375.27014	5.8
403.30002	15.9
503.34921	10.7
565.40564	41.4
583.32776	6.9
583.41571	100.0
584.41718	16.0
584.55707	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	24.9
55.86573	6.7
57.07072	14.9
65.08831	6.6
67.05501	39.8
69.03433	16.7
69.07075	20.6
70.77882	7.2
71.08624	12.0
79.05503	37.2
81.07059	53.3
83.04986	12.3
83.08604	13.1
88.37326	6.1
89.06020	69.8
91.05484	58.8
93.07040	69.6
94.62100	7.1
95.04971	12.1
95.08608	53.0
97.06543	8.3
98.98464	8.7
103.05466	11.0
105.07028	92.8
107.08595	60.8
109.06506	12.3
109.10188	25.5
115.05477	9.8
117.07034	21.6
119.08572	100.0
121.10141	60.6
123.08069	17.9
125.09571	9.6
126.76732	6.5
128.06245	9.3
129.07011	19.8
130.07803	15.0
131.08586	47.5
133.08621	51.3
133.10109	57.0
135.08067	11.4
135.11716	20.7
141.07028	7.1
142.07811	23.2
143.08566	52.2
145.10173	58.5
147.08058	11.3
147.11720	24.3
149.09631	8.9
151.07527	7.9
155.01082	8.3
155.08569	26.6
156.09355	22.0
157.10123	66.9
158.10899	11.2
159.11719	28.9
160.50562	7.3
165.07059	16.2
165.09099	20.3
167.08572	13.7
167.10703	13.3
168.09299	9.0
169.10132	34.0
170.10902	11.4
171.11659	35.1
173.13310	30.2
175.14804	11.0
177.11244	18.5
179.08592	14.6
180.09439	6.6
181.10158	24.6
181.12300	14.2
182.10866	13.4
183.11728	30.6
184.12585	9.4
185.13307	20.2
187.14894	8.9
189.12688	10.8
193.10168	25.7
194.10983	15.8
195.11739	29.7
197.13297	29.2
199.14743	13.9
203.14368	9.3
206.10918	6.3
207.11700	12.3
208.12404	11.6
209.13275	41.2
211.14775	14.0
212.37329	6.6
219.11679	15.0
220.12444	7.9
221.13391	18.2
221.15434	40.7
223.14803	13.9
225.16220	9.1
231.11647	10.8
233.13194	11.0
233.15407	8.0
234.13998	6.8
235.14798	13.5
237.16376	7.6
245.13261	12.9
246.14157	11.7
247.14871	17.0
249.16472	14.1
251.17941	8.2
257.13190	7.2
259.14835	9.2
260.15576	10.4
261.16330	8.2
275.17963	9.3
283.20596	21.7
300.20752	11.4
311.29828	8.8
331.24191	9.6
349.25357	7.9
371.22800	15.7
526.59412	8.0
565.39880	18.9
583.41425	75.1
584.55988	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.6
55.05520	17.4
57.07076	10.5
59.05030	5.0
65.03953	6.1
67.05498	23.6
67.44921	3.7
69.03446	9.1
69.07066	21.5
71.33221	3.8
71.33621	3.8
75.84496	3.2
79.05498	37.4
80.09509	3.3
81.07065	45.0
83.04974	9.1
83.08624	9.7
84.70164	3.4
85.06546	9.2
88.28973	3.3
91.05486	54.7
93.07044	76.8
95.04987	11.0
95.08617	45.8
97.06538	8.9
104.76501	3.3
105.07035	87.3
107.08591	52.4
109.06541	11.3
109.10162	23.9
115.05443	7.5
117.07008	24.0
119.08580	100.0
121.10150	56.1
123.08104	14.3
123.11743	7.7
125.09669	4.7
128.06238	17.1
129.07005	20.1
130.07803	10.5
131.08568	41.1
133.10132	47.5
135.08061	8.1
135.11714	16.6
137.09619	11.2
141.06990	11.9
142.07759	22.4
143.08582	47.5
145.10127	67.9
147.08029	8.2
147.11696	21.5
149.09647	12.1
149.13258	4.7
151.07539	12.1
151.11176	5.3
153.06995	6.4
154.07823	7.0
155.08560	18.6
156.09348	21.1
157.10133	58.1
158.10887	9.2
159.08141	9.9
159.11710	28.8
161.09570	9.4
161.13289	5.7
163.11237	8.1
165.07062	9.2
165.09123	20.5
167.08559	12.4
167.10678	42.1
168.09406	13.7
169.10127	37.2
170.10889	5.7
171.11690	38.0
173.09692	5.3
173.13248	31.2
175.11270	4.5
175.14798	17.6
179.08546	14.4
180.09344	9.3
181.10135	16.6
181.12030	4.3
182.10878	9.2
183.11688	30.7
184.12466	8.0
185.13205	21.2
187.14813	11.2
189.12784	6.5
191.14363	10.6
192.09366	8.7
193.10161	15.6
194.10902	16.0
195.11755	32.5
196.12511	7.8
197.13232	23.8
199.14819	19.0
201.16409	5.4
202.07793	3.8
203.14320	9.9
205.10130	6.9
206.10873	8.1
207.11774	21.4
207.13609	4.3
208.12370	10.6
209.13316	29.4
210.14026	4.7
211.11208	4.4
211.14900	10.1
213.16359	4.8
215.14240	4.8
217.10153	7.9
217.15936	11.8
219.11780	10.1
220.12376	10.3
221.13274	22.6
221.15427	43.7
222.13971	7.3
223.14806	15.4
224.15602	4.9
225.16423	7.0
232.12428	5.7
233.13272	12.0
233.15456	13.5
234.13945	4.7
235.14850	10.9
237.16371	11.4
239.17998	6.7
244.12518	5.1
245.13182	9.0
246.13957	7.2
247.14845	13.5
249.16444	9.0
257.18893	4.7
259.14963	5.3
260.15692	6.5
261.16333	9.1
263.17844	5.7
265.19461	6.2
269.19006	7.0
271.14655	4.4
273.16437	7.0
275.17966	10.5
281.19009	6.6
283.20554	12.2
285.18805	5.4
289.19519	8.0
295.20721	5.1
297.22147	4.3
299.17557	4.6
311.29541	3.7
329.22845	4.7
331.23862	4.6
361.25516	5.2
375.26956	5.6
403.29248	4.3
565.40350	15.9
583.32892	7.2
583.41467	80.5
584.41437	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.1
55.05511	20.7
57.03422	1.9
57.07082	8.9
59.05000	3.2
65.03951	3.1
67.05507	22.5
69.03430	6.0
69.07070	18.7
79.05495	27.4
81.07059	38.0
83.04990	11.1
83.08622	9.8
85.06549	6.7
91.05478	55.9
93.07041	58.6
95.04967	10.3
95.08604	33.5
97.06532	5.9
103.05494	5.3
105.07032	78.9
107.08597	52.9
108.83441	1.8
109.06532	8.5
109.10152	21.0
111.08092	3.5
115.05504	3.8
117.07012	18.0
119.08583	100.0
121.06528	6.2
121.10138	51.4
123.08064	13.4
123.11714	5.1
125.06013	4.2
125.09599	3.4
128.06215	16.9
129.07022	20.6
130.07802	8.0
131.08569	39.6
133.06580	2.6
133.10129	39.1
135.08070	8.4
135.11705	15.5
137.09615	12.7
139.11229	2.0
140.28639	1.9
141.06984	12.2
142.07777	27.4
143.08560	46.5
144.09352	9.4
145.10115	56.3
147.08044	13.8
147.11708	16.3
149.09619	6.3
149.13277	3.7
151.07518	12.6
153.07031	7.0
154.07767	3.5
155.08580	19.9
156.09354	22.0
157.10123	62.0
158.10873	7.2
159.08101	5.8
159.11678	31.9
161.09616	8.3
161.13318	6.4
163.11220	8.6
165.07076	10.7
165.09114	25.4
166.07802	3.1
167.08600	10.1
167.10658	9.0
168.09351	11.4
169.10138	34.2
170.10870	11.7
171.11697	34.0
171.13063	2.4
172.12233	2.5
173.09616	5.5
173.13257	28.0
175.11221	2.9
175.14775	9.7
177.12762	2.8
178.07794	2.6
179.08572	19.8
180.09355	8.2
181.10170	19.9
181.12277	5.2
182.10916	10.4
183.11684	27.5
184.12497	6.8
185.13289	16.6
187.14821	8.9
189.12759	5.8
191.08646	2.5
191.14316	11.3
192.09383	6.4
193.10136	21.9
194.10860	13.6
195.11717	26.8
196.12440	5.4
197.13246	25.6
198.14032	2.3
199.11168	2.8
199.14798	20.0
201.12799	2.0
201.16454	3.3
203.14297	9.8
205.10214	5.1
206.10927	10.3
207.11720	21.3
207.13802	5.0
208.12447	11.1
209.09673	2.2
209.13266	34.3
209.15282	3.6
210.13974	5.2
211.14847	15.0
213.12798	4.1
213.16446	4.1
215.14320	3.2
216.09299	2.0
217.10144	5.1
217.15915	11.9
218.11000	3.0
219.11768	11.9
219.34880	2.0
220.12505	5.5
221.13283	17.9
221.15436	54.3
222.13979	5.5
222.15894	2.5
223.14809	14.5
224.15555	4.1
225.16451	5.5
226.16756	2.5
227.14337	4.0
229.28017	2.9
231.11723	7.7
231.17426	2.2
232.12491	4.7
233.13254	10.9
233.15489	6.0
234.14038	3.4
235.14835	13.0
237.16409	9.1
239.14334	2.4
239.17809	2.9
243.11739	3.4
243.17441	2.9
244.12543	4.2
245.13174	8.8
246.14066	8.2
247.14888	9.9
247.17081	4.3
249.16345	10.6
250.17122	2.9
251.17940	4.0
253.19969	2.4
255.17583	3.4
256.12350	2.4
257.13397	2.9
257.19028	9.4
258.14056	3.2
259.14905	6.7
260.15683	7.8
261.16394	10.7
263.18011	7.5
265.08575	3.6
265.19406	8.8
269.19138	4.1
271.14719	3.0
271.20651	3.9
272.15500	3.5
273.16455	6.3
274.17072	3.7
275.17950	9.6
277.19531	5.5
279.21066	2.6
280.10999	3.8
281.19138	2.4
283.20526	15.6
286.19531	2.5
287.17639	2.4
287.20334	2.8
289.19547	5.5
290.20178	2.3
295.13263	3.7
295.20721	4.2
297.21985	2.2
299.20132	2.7
301.19327	3.4
303.20868	3.3
307.20529	2.7
309.11313	3.9
329.22546	3.4
331.24237	5.6
335.23813	2.4
347.23959	2.5
349.25357	8.1
355.15393	30.8
356.15833	4.6
361.25372	2.7
373.25021	2.3
375.26904	6.3
403.30051	4.1
477.32510	2.1
491.35025	7.0
503.35507	3.1
565.40808	15.8
583.41553	75.3
584.41785	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.8
55.05509	20.8
57.07071	12.7
57.29604	2.8
59.04996	4.1
59.26104	2.2
65.03940	4.8
67.05506	22.2
69.03436	7.3
69.07066	23.3
69.24236	19.0
71.08641	2.9
72.28388	2.8
79.05495	28.1
81.07059	35.0
83.04993	7.8
83.08617	12.7
85.06553	7.4
91.05473	52.7
93.07041	63.0
95.04964	13.4
95.08601	39.6
97.06544	8.0
103.05459	4.5
105.07028	77.4
107.08591	50.7
109.06519	12.3
109.10155	24.8
111.08079	3.6
115.05492	4.5
117.07000	19.2
119.08575	87.7
120.08897	3.3
121.06474	6.5
121.10136	53.8
121.10889	4.5
123.08067	15.0
123.11755	8.5
125.05992	4.9
125.09698	4.8
128.06233	12.1
129.07018	16.4
130.07764	4.2
131.08565	41.9
133.06540	3.2
133.10124	44.2
134.10455	3.3
135.08075	10.0
135.11682	18.7
137.09627	11.5
139.11252	3.7
141.06992	10.9
142.07753	25.5
142.08539	2.1
143.08548	49.1
144.09393	6.3
145.10115	59.0
147.08040	15.7
147.11642	16.3
149.09645	9.7
149.13290	5.0
151.07555	13.5
151.11084	3.9
153.06963	3.2
154.07817	4.1
155.08542	17.9
156.09335	14.1
157.10124	67.5
157.82640	2.7
158.10852	9.0
159.08099	4.0
159.11685	32.4
161.09651	4.8
161.13263	10.6
163.11180	10.6
163.14915	2.6
165.07048	8.1
165.07788	2.8
165.09116	34.4
167.08534	12.1
167.10674	16.3
168.09370	8.6
169.10118	34.9
170.10892	10.6
171.11691	36.7
172.12294	3.1
173.09714	3.3
173.13261	28.8
175.11201	4.7
175.14838	12.2
179.08435	16.3
180.09341	7.5
181.10135	18.2
181.12231	7.1
182.10965	6.2
183.11665	31.5
184.12439	5.9
185.13249	24.7
187.14865	8.8
189.12802	8.6
191.14310	15.1
192.09422	7.1
193.10152	15.3
194.10883	15.0
195.11659	26.5
196.12395	9.0
197.13231	27.1
199.14848	21.5
201.12726	3.9
201.16418	4.0
203.14310	16.3
203.17978	7.0
204.18402	3.8
205.10097	5.7
205.15959	3.1
206.10968	9.2
207.11748	20.5
207.13850	9.7
208.12520	7.9
209.13268	27.6
210.13908	6.8
211.14821	15.3
213.12831	3.3
213.16431	3.6
217.10089	4.6
217.15919	12.8
218.11101	3.1
219.11737	9.5
220.12529	8.1
221.13283	21.9
221.15427	62.8
222.13911	5.2
223.14778	23.1
225.12874	2.9
225.16344	7.5
227.14442	3.9
231.11693	9.1
231.17570	2.9
232.12309	3.0
233.13249	12.0
233.15422	7.8
234.13983	6.2
235.14841	13.0
236.15681	4.3
237.16451	10.8
239.17996	6.3
245.13289	9.8
246.14070	6.1
247.14833	13.4
247.17114	4.4
248.15565	4.9
249.12833	2.5
249.16281	12.9
251.18008	8.6
257.19083	9.2
259.14838	7.5
260.15659	7.3
261.16321	12.8
263.18076	7.3
265.19574	8.8
269.19043	4.3
271.20590	3.1
273.16333	6.6
275.17850	14.8
276.18472	3.1
277.19543	8.0
281.19205	3.0
283.20618	18.2
286.19406	3.5
287.20398	4.7
289.19412	4.9
291.21024	4.6
293.19171	3.1
295.20502	4.4
297.22250	4.4
301.19235	4.1
307.20676	5.9
313.21667	2.9
315.20987	3.4
329.22934	3.6
331.24219	6.1
335.24033	2.9
349.25385	8.2
375.26862	6.7
403.30023	7.6
491.35056	9.5
503.35159	4.3
547.39709	7.1
565.40491	23.6
566.41022	4.3
583.41479	100.0
584.41772	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.5
53.03946	0.7
53.89301	0.3
55.01872	2.8
57.03440	0.3
61.02939	0.6
62.38218	0.3
65.03946	0.2
69.03427	0.8
69.47986	0.5
69.48408	1.0
70.40343	0.2
71.04982	0.9
73.02932	0.4
77.03921	0.4
81.03425	0.6
82.09263	0.3
84.52646	0.3
85.02901	2.1
91.05496	0.7
93.03417	0.4
95.04975	1.5
97.02908	0.7
98.23353	0.5
99.04456	2.5
103.05470	37.7
104.05805	1.1
105.04514	0.3
105.07044	0.7
106.12150	0.3
107.04958	1.2
109.06485	0.3
110.34433	0.2
111.04453	0.2
115.05494	0.7
117.07035	0.5
122.03644	0.4
123.04459	1.6
125.06027	0.3
131.04929	100.0
132.05229	3.3
133.02969	0.3
133.06499	1.1
137.05966	4.6
140.04674	0.4
143.04839	0.3
145.06471	0.8
146.21936	0.3
147.08029	0.6
151.03864	0.3
153.05470	1.0
155.05916	0.4
155.07054	0.8
157.06401	0.3
161.05952	1.4
163.07542	40.9
164.07924	1.8
165.05496	0.4
167.07072	2.9
172.05214	2.2
173.06004	0.7
175.07597	0.9
177.05467	0.4
179.07018	0.4
180.08603	0.4
181.04953	0.3
181.08563	0.4
183.06552	1.1
187.07516	0.3
189.05479	2.5
191.07048	0.7
193.08545	0.4
200.04744	0.5
203.07048	0.7
205.08575	0.7
206.05757	1.2
206.74196	0.3
207.06583	0.6
207.10182	1.0
209.08131	0.4
218.05710	2.4
221.08051	3.1
223.09511	0.3
233.08089	17.2
234.08444	0.9
235.09650	1.0
249.08069	0.3
251.09129	4.9
258.41171	0.3
263.09140	4.1
369.13095	0.3
387.14398	0.6
391.18814	0.3
584.77161	0.3
585.25574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
53.03941	4.5
57.03438	0.6
68.43687	0.6
69.03426	7.3
77.03928	0.9
79.05482	6.0
81.03421	10.5
81.07069	0.8
85.02910	16.0
91.05501	0.7
95.04945	4.0
97.02898	6.9
99.04452	1.7
103.03934	1.8
105.03391	100.0
106.03716	2.5
109.02883	8.5
121.06489	2.8
123.04430	15.7
127.03920	9.3
131.04935	0.9
139.07549	0.9
145.04970	1.8
151.03847	1.3
153.05492	0.8
165.05562	1.2
201.09009	1.4
229.08574	1.5
231.06598	1.8
249.07558	19.3
263.10641	0.9
265.08536	1.0
267.08633	41.6
268.08923	1.3
277.08661	1.4
280.10931	1.8
295.13312	1.4
299.09109	1.0
309.11316	1.0
317.10440	0.7
323.12802	1.6
324.13583	1.7
325.10617	0.9
325.14166	0.7
327.12158	0.9
327.15878	0.7
355.15414	18.4
356.15973	3.5
357.13300	1.2
359.14825	2.0
387.17960	6.6
406.14536	0.8
489.23715	1.2
490.24930	1.3
531.22321	1.2
548.24609	1.6
584.21960	7.1
585.23303	2.7
586.45337	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.4
61.02917	1.0
63.42482	0.4
69.03430	2.0
71.30012	0.5
73.02922	0.7
81.03452	0.5
85.02908	7.1
85.54379	0.4
91.05472	0.5
93.07026	0.4
95.04974	0.5
97.02877	2.1
99.04392	0.6
100.64224	0.4
103.05445	1.1
105.07006	0.8
107.04959	0.5
107.08573	0.4
109.02914	0.6
109.06595	0.4
115.05427	0.4
123.85601	0.4
124.33841	0.4
127.03928	0.8
129.07013	0.7
131.04927	3.1
133.06508	0.7
133.07552	0.4
137.05997	0.9
143.08455	0.5
145.04948	1.0
147.04460	0.6
151.03954	0.9
159.08069	1.4
161.05959	0.6
163.07567	2.3
167.07022	0.9
171.08264	0.4
173.09613	1.1
175.07535	0.8
177.05550	0.5
181.04984	0.8
184.07245	0.5
187.07520	0.5
193.10220	0.5
201.09108	1.9
202.09833	2.2
207.11758	0.6
209.09662	0.9
210.06752	1.0
211.07556	1.1
211.11180	0.5
219.08043	0.8
220.08820	1.2
221.09616	1.0
223.07590	0.6
225.09097	1.1
226.06087	0.5
227.07091	0.5
233.07910	0.5
233.11777	0.5
234.06700	0.5
235.07518	0.6
235.11209	2.7
236.11945	0.6
237.09142	2.5
238.06316	0.8
238.09854	0.7
239.06931	0.6
240.07817	0.9
241.05057	1.1
242.05611	0.5
245.09502	0.5
247.07608	0.9
248.08330	2.5
249.09178	3.2
250.06178	0.6
250.09927	0.5
251.07050	1.0
251.10677	1.3
252.11459	1.9
253.08592	1.3
253.12068	0.8
254.09352	0.8
255.06425	0.7
255.10211	0.6
256.07147	2.0
257.08020	0.6
261.09021	0.8
262.10046	0.9
263.10651	6.0
263.13077	0.6
264.11353	2.4
265.08612	6.8
265.12149	1.3
266.09384	1.2
266.13034	0.5
267.06580	0.6
267.10159	1.0
267.13849	1.5
271.09680	1.6
276.07864	0.8
277.08624	6.8
277.11633	0.5
278.09268	1.7
279.07236	0.5
279.10144	2.5
280.10910	8.7
281.08450	0.8
281.11676	2.7
282.09024	1.3
284.06827	1.0
285.07529	0.8
287.09140	0.7
291.10196	2.3
292.11072	2.5
293.08063	3.3
293.11725	2.1
294.08829	2.0
294.12408	1.6
295.09872	1.0
295.13248	10.5
296.13809	1.1
297.11081	2.7
299.09161	3.2
300.09808	0.8
302.07751	1.0
307.09686	0.8
308.10379	2.3
309.11194	7.6
310.08340	0.9
310.11871	1.1
312.13589	0.9
313.10657	0.7
317.10208	1.2
322.11975	0.8
323.12766	9.9
324.13525	7.5
325.10684	4.0
325.14301	1.7
327.15942	1.7
339.12180	0.6
340.13104	4.3
341.13776	2.0
345.13409	0.5
355.15390	100.0
356.15973	14.8
357.12991	0.6
357.16818	0.6
372.15729	1.7
387.18011	41.1
388.18558	2.6
405.19012	2.0
460.24274	1.3
472.23581	0.5
585.25085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45289	0.2
68.69749	0.3
69.03436	1.4
69.07050	0.8
80.93922	0.3
81.03422	0.6
85.02893	4.0
97.02884	1.3
98.23352	0.7
99.04456	0.3
103.93446	0.3
107.04977	0.3
109.02871	0.4
109.06480	0.4
127.03944	0.9
137.05995	0.6
139.07535	0.6
145.05023	0.6
159.08098	0.4
162.07668	0.3
165.06993	0.4
167.07080	1.8
173.09549	0.4
174.26283	0.3
175.07503	0.4
178.98737	0.3
179.08586	0.4
182.07182	0.3
183.08075	0.6
185.05949	0.3
187.07529	0.4
188.08260	0.4
189.09177	0.3
191.10649	0.5
195.08043	0.4
196.05188	0.8
197.05927	0.4
197.09612	0.6
198.06694	0.4
199.07539	0.4
201.09058	0.4
209.05984	0.4
209.09592	0.5
210.06743	1.2
211.07497	2.4
212.08241	0.5
213.05428	0.5
215.07008	0.9
219.08092	0.5
219.10143	0.7
220.08879	0.7
222.06853	0.4
223.07553	0.7
224.04642	0.6
224.08208	0.8
225.05435	0.4
225.09070	2.4
226.06277	0.5
227.06996	1.7
228.07785	0.7
229.04900	0.6
229.24309	0.4
231.08089	0.3
233.11702	0.4
234.10466	0.3
235.07608	0.5
235.11143	0.6
237.05450	0.6
237.09134	1.2
238.06255	0.9
238.09811	0.4
239.06976	3.2
240.07849	0.6
241.04871	0.7
241.08693	0.5
241.12254	0.4
242.05736	0.4
242.09404	0.7
243.06503	1.6
243.10039	0.3
244.07210	0.4
245.04408	0.3
245.41911	0.3
247.07671	0.5
248.08298	1.0
249.09065	2.0
250.10001	0.3
251.07123	0.7
251.10643	0.8
252.07872	0.9
252.11488	0.6
253.04860	0.7
253.08586	4.1
253.12404	0.4
254.05594	0.7
254.09261	0.5
255.06551	0.8
256.07202	2.3
257.04529	0.4
257.07919	1.2
258.05081	0.3
258.08774	0.4
259.06061	0.5
262.09769	0.6
263.10666	2.4
264.11359	0.6
265.08606	3.1
265.12000	0.5
266.05780	1.1
266.09277	1.1
267.06512	4.1
267.10049	0.9
267.13867	0.9
268.07257	0.8
269.04620	0.4
269.08093	1.1
269.11569	0.6
270.08920	2.1
271.06161	1.7
271.09439	1.7
272.06732	0.9
273.07574	1.1
275.09116	0.4
277.08551	1.6
277.11502	0.3
278.09344	0.6
279.10211	1.7
280.10922	2.6
281.08072	3.4
281.11627	1.6
282.08749	1.2
283.06046	0.7
283.09351	0.6
284.06870	2.5
285.07562	2.8
285.11102	1.0
286.08243	0.4
287.05869	0.5
287.09137	1.4
288.06308	0.7
288.09613	0.4
289.06894	1.5
291.10159	1.8
292.11047	1.7
293.08078	1.9
293.11761	1.1
294.08929	0.6
294.12213	0.7
295.09714	1.0
295.13226	7.4
296.13913	1.3
297.07816	0.6
297.11179	2.3
297.14514	0.6
298.08319	2.1
298.11642	0.5
299.09128	7.0
300.09781	1.2
301.07059	0.4
301.10590	0.6
302.07861	0.9
303.08560	3.5
304.09369	5.5
307.09619	1.3
308.10437	2.3
309.11273	3.9
309.14609	0.6
310.11798	0.4
311.09183	1.1
312.10263	0.5
312.13446	2.1
313.10721	6.3
313.14038	0.4
314.11368	1.3
315.08569	0.7
316.09396	1.4
317.10168	3.1
318.10953	6.3
319.11615	1.4
322.12146	0.6
323.12747	9.9
324.13391	3.3
325.10675	2.3
325.14343	1.0
327.12177	0.8
327.15903	3.4
329.10248	0.7
330.10641	0.6
331.11716	5.0
332.12375	1.1
338.15039	0.7
339.12402	0.6
340.13028	2.2
341.13687	2.6
343.11697	0.5
345.13293	3.8
355.15369	24.6
356.16010	7.6
357.13077	1.4
358.13953	0.7
359.14771	0.5
369.16748	0.4
372.15625	2.5
387.17984	100.0
388.18314	8.2
405.18954	1.2
549.23175	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57243	0.5
68.31512	0.5
69.03419	2.0
69.22114	2.4
69.22522	1.5
81.03438	0.6
85.02916	5.4
97.02889	2.1
98.23390	0.9
101.41637	0.5
112.18298	0.5
127.03895	0.8
139.07550	1.1
145.04919	0.9
146.40939	0.5
151.03932	1.1
153.05360	0.6
159.08095	0.8
161.06013	0.6
167.07053	1.8
173.09677	0.6
181.04938	0.9
182.07187	0.5
183.08102	0.7
187.07626	0.6
195.08156	0.6
196.13275	0.5
197.05992	1.0
199.07605	0.7
201.08960	0.5
210.06853	1.0
211.07559	3.9
213.05528	0.7
215.06985	0.6
219.10234	0.8
223.07448	0.6
224.08235	0.5
225.08994	2.4
227.07085	1.6
229.04939	1.4
235.11108	1.0
237.09123	1.3
238.06175	0.7
239.07050	2.3
240.07814	0.9
241.04881	1.0
241.08624	0.7
242.09441	0.7
243.06561	1.4
248.08199	1.0
249.09142	1.3
251.07097	1.3
251.10678	1.1
252.07726	0.9
252.11539	0.9
253.04939	0.6
253.06261	0.6
253.08601	4.2
254.05731	0.8
254.09354	0.7
255.06578	1.6
256.07318	2.0
257.08038	2.0
263.10638	4.0
264.11264	0.6
265.08682	3.2
265.11465	0.5
266.05750	0.6
266.09344	0.9
267.06558	4.3
267.10049	1.4
267.13712	1.0
268.07227	1.0
269.04669	0.6
269.08096	0.8
269.11673	1.3
270.08844	1.2
271.06012	1.7
271.09610	1.6
272.06845	1.1
273.07578	1.4
275.09216	0.6
277.08588	1.3
279.10239	2.0
280.07516	0.5
280.11090	2.5
281.08118	3.0
281.11707	2.1
282.08856	1.2
283.06021	0.7
284.06851	2.2
285.07581	2.4
285.11206	1.5
287.09253	1.5
288.06314	0.6
289.07095	1.5
291.10080	1.2
292.10858	1.3
293.08005	1.8
293.11411	0.9
294.08737	0.9
295.09958	1.0
295.13309	6.7
296.10342	0.7
296.13806	1.3
297.07764	1.1
297.11276	2.0
297.14667	0.6
298.08368	1.7
299.09109	6.6
300.09799	1.2
301.07275	1.1
301.10727	1.7
302.07813	1.5
303.08621	4.0
304.09351	5.8
307.09689	0.9
308.10349	3.3
309.11160	4.3
310.11920	0.8
311.12732	0.8
312.10071	1.0
312.13522	2.1
313.10687	8.4
313.14044	1.3
314.11420	0.9
316.09055	1.2
317.10236	2.9
318.10974	6.4
319.11816	1.5
323.12787	9.6
324.13467	2.3
325.10672	2.1
326.11362	0.8
327.12299	1.0
327.15897	3.0
331.11685	5.8
332.12186	0.9
339.11987	0.7
340.13007	2.1
341.13788	2.9
343.11874	0.7
344.12427	1.0
345.13339	4.6
355.15381	27.0
356.16113	8.5
357.13129	0.8
358.14023	0.9
359.14948	1.8
372.15808	2.5
373.16309	0.9
387.18005	100.0
388.18387	6.7
405.19189	0.8
441.76416	0.6
549.23254	5.3
550.23755	0.7
584.21918	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37694	0.7
52.96798	0.7
54.09906	0.7
57.03436	1.2
57.94408	0.7
59.92178	0.7
61.02951	1.1
64.57298	0.7
69.03447	1.8
69.19872	4.6
76.26662	0.7
81.03413	1.1
85.02896	6.7
97.02885	1.4
105.03408	3.4
119.08590	0.9
127.03960	0.8
129.07021	0.8
145.04958	1.0
145.10098	0.9
159.08043	0.7
167.07005	1.0
173.09541	1.1
181.04947	1.1
186.10971	0.8
189.09056	1.0
190.50789	0.9
201.09102	2.5
202.09816	1.8
209.71051	0.8
219.08058	1.1
220.08871	1.0
227.06981	0.9
233.09598	0.8
233.11716	0.9
235.11241	2.5
237.09119	2.0
239.06981	1.3
239.10490	0.9
248.08330	3.2
249.09108	2.8
251.07130	0.8
251.10562	1.3
252.11562	1.7
253.08511	1.7
254.09370	0.9
256.07434	1.6
263.10641	6.0
264.11493	1.9
265.08594	7.1
265.12695	1.0
266.09436	1.0
267.13882	1.7
271.09512	1.2
277.08627	8.0
279.10205	2.6
280.10895	5.9
281.11768	2.3
282.08951	1.7
283.09662	0.9
284.06891	0.9
291.10132	2.9
292.10919	1.4
293.08060	3.4
293.11618	2.1
294.08881	2.2
294.12350	1.3
295.10022	0.7
295.13235	9.6
296.13812	1.9
297.11261	2.8
299.09210	1.7
307.09705	1.4
308.10419	2.6
309.11243	5.9
311.09332	0.8
312.13449	1.5
313.10739	0.9
317.10278	1.0
323.12750	9.7
324.13477	6.7
325.10751	3.4
325.13855	1.4
327.12360	1.1
327.15994	1.4
331.11615	1.1
340.13168	3.6
341.13632	1.7
345.13254	1.0
355.15390	100.0
356.15973	14.9
357.12970	0.9
369.17236	1.0
372.15851	0.9
374.04587	0.8
387.18015	30.3
388.18243	2.1
405.19205	2.0
471.50885	0.9
490.25162	1.3
549.22980	1.5
584.21692	10.2
585.22449	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93593	1.1
58.41570	1.1
59.70245	1.3
62.24190	1.2
70.51083	3.6
81.03379	1.3
85.02930	3.6
87.62476	1.2
132.83813	1.3
167.07047	2.4
197.06064	1.3
208.48900	1.2
208.69463	1.2
210.06757	1.3
211.07510	2.1
221.06419	1.3
225.09094	2.0
228.04108	1.3
235.11134	1.8
237.09239	1.5
239.07036	2.1
243.06670	2.5
248.08015	1.3
251.10484	1.4
253.05000	1.9
253.08548	4.3
256.07330	1.8
263.10638	3.4
264.11368	1.5
265.08542	1.9
267.06491	4.3
267.09534	1.5
270.08759	1.6
271.06128	2.9
271.09634	2.6
272.06616	2.1
277.36560	1.3
280.10913	3.3
281.07959	2.0
281.11624	2.5
283.06165	2.1
285.07767	2.9
285.10977	2.0
288.06366	1.6
292.11188	1.7
293.08316	3.0
295.13303	10.0
297.11578	1.5
298.08371	2.3
299.09171	6.5
300.09805	1.6
303.08572	3.2
304.09424	5.6
308.10455	2.1
309.11151	4.8
312.13702	1.4
313.10638	7.3
314.11325	1.9
315.75620	1.4
317.10046	5.7
318.10928	7.3
319.11746	1.6
323.12695	13.8
324.13544	4.3
325.10519	3.2
327.16019	3.1
331.11761	5.7
339.12317	1.7
340.12836	3.4
341.13800	3.9
345.13312	4.9
355.15408	25.9
356.16183	10.2
372.15546	3.4
387.17990	100.0
388.18430	7.4
549.23364	12.6
550.23938	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21375	1.8
57.03441	2.5
63.42055	1.2
71.30817	2.6
73.02916	2.5
79.05479	1.6
91.05508	4.9
103.05463	5.3
107.04968	1.9
109.06507	1.7
115.05477	1.8
117.07024	3.2
119.04934	3.0
122.03698	1.8
123.08070	2.0
125.05933	1.5
129.06985	2.5
131.04933	14.4
133.06520	1.7
135.08026	1.7
137.05980	31.4
146.78680	1.4
149.05983	4.3
151.03920	1.5
151.07553	17.9
157.06497	2.8
161.06055	3.5
162.06741	3.2
163.07524	32.7
167.08519	1.6
174.06779	1.9
175.07590	5.3
177.09109	100.0
178.09477	3.2
189.09085	7.8
195.08205	1.6
203.10680	1.5
221.06104	1.9
221.09779	2.3
221.11702	12.4
222.11986	1.7
223.07417	2.1
225.09166	1.8
227.10645	2.6
237.09198	2.0
237.11269	10.4
237.60577	1.4
251.20091	1.4
253.08577	2.8
253.12186	1.9
255.10155	2.8
272.10522	1.7
285.11151	3.3
287.12854	6.2
313.14346	7.8
330.14590	8.3
331.15338	9.9
405.19022	25.2
407.80701	1.7
487.98434	1.8
584.21936	2.3
585.23212	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.6
53.91331	1.9
55.01867	2.9
55.05508	5.7
63.96511	1.7
67.05505	11.5
69.03429	69.5
69.07053	1.9
70.51628	4.1
79.05480	8.6
81.03410	6.2
81.07072	9.8
83.04985	4.2
83.08598	3.6
84.10918	1.6
85.02924	1.7
86.41503	1.7
86.57362	1.6
87.04470	5.2
91.05455	10.5
91.27161	1.6
93.07029	7.8
95.04961	6.8
95.08605	14.1
97.06544	6.1
97.10183	2.4
103.05476	3.0
105.07036	12.7
107.04946	4.6
107.08588	5.5
109.02884	7.3
109.06514	5.2
109.10168	2.6
111.04439	2.2
111.08083	6.0
115.03934	4.2
117.07000	4.6
119.04930	1.7
119.08575	7.1
121.06486	7.8
121.10136	5.7
123.08082	12.4
125.09630	1.9
128.06184	2.6
129.06996	5.6
131.04950	3.5
131.08569	7.2
133.06476	5.9
133.10094	3.1
135.08035	4.5
137.06006	5.0
139.07545	77.7
140.07913	1.6
143.08543	6.4
145.06497	9.0
145.10097	3.6
147.08099	9.7
149.05965	4.6
149.09618	3.5
151.07503	3.6
155.08609	2.8
157.06534	4.2
157.10112	4.6
159.08089	6.0
161.05988	5.1
161.09622	4.1
163.07611	4.2
163.11159	1.8
165.06984	2.1
165.09140	4.2
167.07053	7.3
167.08443	3.2
169.06525	2.3
169.10164	2.3
171.08028	3.7
173.05978	4.4
173.09697	4.1
173.11847	1.8
175.07541	5.5
175.11183	2.3
177.09178	2.9
179.08528	3.0
181.10117	4.1
185.05971	2.2
185.09650	3.0
187.07516	4.9
187.11150	1.9
189.05508	3.9
189.09125	2.9
191.06955	4.1
192.09317	2.3
193.08612	2.9
195.08072	2.7
195.11745	3.7
197.06158	1.8
197.09677	4.8
199.07535	4.6
201.09149	2.5
203.06976	2.3
203.10759	2.1
205.10168	2.5
206.10889	2.4
207.11755	3.2
208.08842	2.4
209.08023	14.9
209.09787	2.4
213.09067	3.7
215.10754	2.0
217.10214	2.4
219.08171	1.7
219.10091	1.8
221.09607	2.3
221.13216	2.1
223.07681	2.1
223.11302	4.0
225.09106	3.0
227.10725	1.9
229.12233	2.2
231.11920	2.1
233.09572	2.0
233.13281	2.4
234.10361	2.8
235.11275	3.4
237.09113	2.3
237.12822	2.4
239.10759	3.6
239.14230	2.0
249.09224	1.7
249.12805	7.1
251.10754	4.4
251.14287	2.3
253.12311	2.5
257.13251	2.8
259.11139	2.2
260.11865	2.2
263.10684	3.3
265.12286	3.0
265.15912	2.0
267.13708	3.8
269.11771	4.6
273.12619	2.8
275.14362	2.9
277.12207	6.7
277.15359	1.8
279.10004	1.9
281.11780	2.0
291.13821	2.6
291.57736	1.8
293.15329	4.3
295.13290	5.0
301.14401	5.9
303.13788	2.1
305.11646	3.2
314.12296	1.7
315.12274	2.3
315.17398	1.8
319.13138	3.2
321.14868	2.8
323.12769	2.4
323.16208	3.3
325.15836	2.0
341.17642	3.0
343.16876	6.8
357.13327	2.5
361.18127	8.6
379.19107	4.0
381.16852	2.4
383.14899	5.5
389.17538	8.0
389.21970	1.6
397.20013	3.4
399.16037	2.3
401.15909	5.2
403.18985	2.6
407.18604	15.9
419.17020	2.8
421.20432	1.8
425.19504	13.3
431.18829	2.5
435.17877	12.2
449.19339	5.5
451.21344	3.2
453.19147	30.3
467.20547	10.9
469.22327	3.3
471.20139	100.0
472.20444	7.5
472.68503	1.9
477.19095	6.2
485.21655	13.6
489.21179	43.7
490.21310	4.1
493.25671	3.1
495.20187	14.7
507.22040	11.3
513.21167	23.2
531.22015	17.8
549.23016	3.3
567.29175	5.5
584.22870	15.4
585.24054	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10640	0.8
69.03436	1.8
69.16718	6.0
74.00597	0.8
79.05508	0.7
81.03451	1.0
81.07041	0.9
84.34862	0.7
85.02906	4.0
97.02891	1.3
98.22624	1.7
99.04469	0.8
104.13753	0.6
105.06992	1.7
107.04930	1.1
137.05986	1.3
139.07535	0.8
147.04341	0.7
159.10590	0.7
167.07068	2.2
173.09698	0.8
183.08130	1.1
195.08153	0.9
197.09703	0.8
210.06854	1.0
211.07585	3.0
213.05521	0.8
225.05489	0.9
225.09132	3.1
227.07077	2.0
235.07590	0.8
235.11270	1.2
238.06281	1.1
239.07101	2.4
242.09306	0.9
243.06482	0.9
247.07671	0.8
248.08238	1.5
249.09119	1.2
251.10802	1.7
253.08649	5.3
254.09459	1.4
255.06538	1.3
255.10149	1.0
256.07425	2.2
257.08081	2.0
263.10748	2.2
265.08609	3.1
265.11978	1.3
266.05698	0.9
267.06534	5.6
267.10025	1.7
267.13940	1.0
268.07065	1.3
269.11780	1.1
270.08987	1.6
271.06302	1.3
271.09671	3.8
275.09302	0.9
277.08713	1.8
279.10208	2.4
280.07880	1.0
280.10928	2.7
281.08148	3.0
281.11682	2.6
283.06229	0.8
284.06860	2.4
285.07547	3.8
285.10992	1.7
287.05722	1.1
287.08936	1.2
291.10196	2.2
292.10980	1.8
293.08160	2.1
293.11557	1.5
294.08826	0.9
295.13336	7.9
297.11249	2.8
298.08313	1.5
299.09149	7.0
299.12445	1.2
300.09827	1.3
303.08597	3.9
304.09399	5.5
308.10422	3.2
309.11252	5.4
310.12012	1.1
312.13602	1.7
313.10788	5.8
313.13931	1.2
314.11633	1.3
316.09418	1.8
317.10205	3.3
318.11176	5.2
319.11932	1.7
322.12039	1.4
323.12744	13.0
324.13483	2.9
325.10684	2.7
325.14203	1.2
326.11356	1.3
327.12354	1.4
327.15903	3.1
331.11795	4.8
337.14493	1.3
340.13138	3.2
341.13629	4.1
345.13480	4.5
355.15417	27.8
356.16144	13.9
357.13226	1.5
359.14960	2.3
372.15488	1.8
387.18002	100.0
388.18488	6.7
392.25949	0.8
398.14465	1.0
496.21585	0.9
549.23297	16.8
550.23145	1.7
584.23328	27.3
585.24139	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.7
55.01877	1.5
55.05500	1.2
57.03431	0.9
59.04997	2.0
60.08147	1.3
61.02903	0.7
67.05495	1.9
67.72894	0.6
69.03423	2.3
69.07078	3.4
70.46278	1.3
70.46648	1.0
71.07366	0.5
77.03908	0.6
79.05486	4.4
79.43632	0.7
81.03411	1.7
81.07059	2.3
85.02903	5.1
85.08300	0.7
85.16272	0.6
86.09705	4.7
91.05486	3.9
92.57964	0.6
93.07052	3.1
95.04974	12.2
97.02887	2.2
97.06534	1.4
103.05479	1.6
104.03387	0.6
104.10728	5.5
105.04532	0.7
105.07042	6.8
106.04121	0.7
107.04958	16.8
107.08594	1.0
109.02893	1.0
109.06541	0.9
109.10165	1.0
110.10551	0.8
115.05458	2.3
117.07028	2.9
119.08602	0.8
120.05666	1.0
121.06504	2.9
122.03619	1.0
123.04429	14.5
124.05215	2.6
124.99999	2.2
125.06014	0.8
127.03890	1.2
128.06230	2.1
129.07001	2.6
130.07768	6.2
131.04944	0.8
131.08574	1.7
133.06476	1.2
135.04407	1.1
135.08043	1.7
137.05980	3.8
137.51805	0.6
140.04680	4.5
141.07007	0.7
142.07690	0.6
143.08556	11.3
143.86746	0.6
145.04936	1.3
145.06473	2.4
145.10118	31.9
146.10423	1.4
147.04425	0.8
147.08081	1.5
149.05965	1.0
151.03897	1.4
151.07616	0.7
152.04636	1.6
153.05490	1.9
153.06966	0.9
155.05919	1.0
155.07040	6.3
155.08551	7.3
157.06522	1.0
158.07266	23.5
159.08026	2.7
161.06013	2.4
162.07628	1.2
163.07570	2.4
163.11168	0.8
166.06245	1.5
167.07039	57.2
167.35838	0.7
167.57080	0.6
168.07381	1.4
171.08072	1.5
173.09616	57.8
174.09929	1.6
175.07492	2.9
177.05542	0.6
177.09193	1.3
178.06255	2.4
180.08733	1.8
181.03345	0.7
181.04977	2.4
181.08598	14.5
181.10159	1.3
183.06549	11.7
183.09111	3.3
184.07335	9.8
186.06773	4.8
189.05540	0.6
189.09119	2.1
189.58588	0.6
191.10706	1.9
192.07817	3.8
193.08543	3.1
195.06413	1.1
195.10181	4.5
201.09102	100.0
202.09462	4.4
207.10089	3.1
207.11809	0.7
211.09637	1.1
218.09409	1.9
219.10149	7.0
223.13223	1.8
233.11714	82.1
234.12006	2.6
246.11342	0.6
251.12769	50.4
252.13062	2.0
301.14294	0.7
356.15802	0.7
387.17920	4.7
405.18976	1.9
463.28293	2.6
567.25171	0.8
584.21375	4.6
585.25708	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56466	0.9
53.03946	2.0
55.05514	2.3
55.11966	0.9
67.05502	3.5
69.03435	1.0
69.07069	1.2
71.30528	1.1
79.05494	10.5
81.03419	1.3
81.07066	1.4
83.04964	2.3
85.02899	1.1
91.05495	2.0
93.07040	1.0
95.04945	2.0
95.08604	1.9
99.04456	1.1
103.05476	1.0
105.03398	16.8
105.04482	1.3
105.07044	2.5
107.04951	21.5
109.10172	1.1
111.08051	1.2
127.03955	0.9
146.90121	0.9
149.05984	1.5
159.11699	1.1
203.43817	1.0
207.10231	1.0
210.07167	1.0
221.06018	0.9
223.07567	1.0
227.07011	1.9
228.07947	1.2
229.08517	1.0
237.09140	1.2
238.06171	1.0
239.06909	1.6
240.07741	1.7
241.08655	2.0
243.06567	2.1
249.09026	1.4
249.12872	1.1
250.09795	1.1
251.07092	1.3
251.10626	0.9
253.08595	2.9
254.09294	1.2
255.06435	1.3
256.07440	1.2
257.08203	3.2
259.65259	0.9
263.10767	1.2
264.11380	1.9
265.08719	1.9
265.12125	2.4
266.09351	1.4
267.06586	2.2
267.10162	1.6
269.08087	2.2
270.08905	2.5
271.09650	2.0
273.07684	1.5
277.08582	1.6
277.12302	1.2
278.09479	2.2
278.12900	2.3
279.07037	1.0
279.10217	3.3
280.10895	1.7
281.08087	3.6
281.11716	1.6
281.60397	1.0
282.08923	4.2
283.06036	2.1
283.09555	1.2
284.10278	1.4
285.07584	2.6
285.11066	2.1
286.08353	2.4
287.08923	1.2
288.10004	1.0
291.10159	2.7
292.10834	1.5
293.08279	1.2
293.11649	2.6
294.09091	1.0
294.12332	2.9
295.09845	2.2
295.13248	5.8
296.10410	5.1
296.13495	1.5
297.07468	2.2
297.11035	2.1
298.08447	2.2
299.09036	3.3
299.12677	1.1
300.09958	1.5
301.07178	2.0
301.10776	2.5
302.07980	2.4
303.08536	2.5
305.08414	1.4
305.11722	1.3
306.12457	3.2
307.09680	2.1
307.13245	2.4
308.10309	1.5
308.13644	1.3
309.11206	4.1
309.14798	2.9
310.12021	1.3
310.15463	1.8
311.09064	2.5
311.12503	1.9
312.09860	2.1
313.10788	6.6
314.11243	2.8
315.08649	1.2
315.12247	2.2
316.09381	2.3
317.10141	6.8
318.10983	7.4
321.11270	4.8
322.11917	3.8
323.09259	1.0
323.12823	11.3
324.13321	2.9
325.10675	2.2
325.14270	1.8
326.11508	1.4
326.15195	1.5
327.12262	7.1
327.15750	2.1
328.12958	4.0
329.10352	1.3
330.10995	2.8
331.11850	10.2
332.12531	10.3
333.13171	2.8
335.12851	1.2
336.13470	5.4
337.10739	2.9
337.14325	13.6
338.11285	1.3
338.14935	8.4
339.12146	5.6
339.15915	3.8
341.10013	1.4
341.17496	4.6
343.11978	1.7
344.12552	1.4
345.13385	4.4
352.12955	1.9
353.13821	2.5
354.14624	3.9
355.11603	1.1
355.15427	9.3
359.14825	4.1
367.15540	5.5
368.16116	3.0
369.16937	21.2
370.17661	17.9
371.18628	1.2
385.16586	1.2
386.17154	3.7
399.17957	14.5
400.18829	4.9
401.19580	100.0
402.19992	8.3
415.19202	3.1
419.20401	1.4
443.18332	1.2
480.26501	5.0
489.22653	4.1
549.24792	12.3
584.31085	4.2
585.24939	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03992	2.1
51.41989	2.5
69.02489	11.9
69.02911	12.2
69.03440	5.9
79.05521	3.5
82.15479	2.3
83.08613	2.5
86.22935	2.4
93.07038	4.5
95.08602	4.7
97.02897	5.5
97.06512	2.9
100.60883	2.3
103.28616	2.9
105.07039	7.0
107.08620	4.2
109.06519	9.3
117.41296	2.4
119.08562	7.2
123.08070	6.1
124.96229	2.4
125.06019	3.4
129.07013	4.1
131.08569	7.4
133.10149	4.8
139.07591	4.9
143.08549	5.4
145.10139	5.7
147.08083	4.5
147.11656	2.8
157.10088	7.0
159.11684	4.6
161.09608	4.5
165.09059	4.8
169.10133	6.8
171.11707	3.3
173.09593	4.4
173.13330	3.2
179.08472	3.6
181.10104	5.9
183.11716	4.7
185.09552	3.9
187.11281	4.1
195.11697	3.9
199.14812	3.8
201.12720	3.8
207.11647	3.2
209.13321	3.2
221.13396	4.3
237.12769	3.0
245.13287	2.8
247.14836	3.7
249.16460	3.5
252.93497	2.6
263.14276	3.0
265.15915	3.5
293.18924	7.2
311.20175	5.9
387.17889	3.9
389.94296	3.1
425.23245	3.2
443.24438	5.5
453.22659	12.1
471.23761	45.1
472.24045	6.8
487.26727	10.1
489.24826	100.0
490.25150	8.0
495.23370	6.9
505.28000	11.9
507.25574	10.1
513.24622	25.2
531.25629	52.7
532.25916	5.0
549.26593	9.8
567.27832	3.2
584.21655	11.5
585.22858	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.0
55.05521	14.3
57.07066	20.2
58.33045	5.2
67.05515	37.7
69.03415	14.4
69.07070	20.8
69.14371	35.8
69.14771	12.2
70.06584	5.2
71.04956	7.5
79.05495	35.8
80.05812	6.4
80.06268	8.1
81.07058	56.7
83.04989	6.9
83.08601	7.8
85.06565	7.9
89.06039	31.9
91.05479	43.7
93.07036	59.8
95.04974	16.2
95.08610	34.1
97.06528	6.4
105.07028	100.0
107.08600	39.2
109.06496	11.7
109.10157	21.6
117.07033	24.8
119.08585	94.1
121.10145	33.5
123.08073	30.9
128.06259	14.4
129.07005	20.0
129.85986	4.9
130.07816	6.3
131.08577	49.2
133.06529	5.6
133.08612	22.6
133.10172	39.5
135.08061	16.5
135.11688	11.9
137.09598	13.2
138.10445	6.0
141.06979	5.6
142.07814	20.6
143.08566	55.0
144.09306	10.7
145.10126	93.9
147.07997	26.6
147.11694	16.0
149.09633	10.8
149.13293	6.3
151.07553	15.9
151.11186	7.2
155.08588	13.5
156.09425	11.7
157.10129	58.9
158.10754	12.2
159.11693	43.4
161.09610	14.7
163.11214	17.2
165.09134	38.8
167.08556	5.8
168.09149	5.3
168.85260	5.7
169.10139	22.2
170.10759	9.1
171.11729	32.5
173.09570	8.6
173.13272	11.5
175.11203	13.7
175.14908	6.3
177.09009	5.9
177.11293	7.0
179.08563	6.6
180.09171	5.3
181.10106	13.0
181.12257	5.7
182.10902	9.5
182.92766	5.1
183.11732	22.2
184.12485	6.9
185.13306	16.3
187.14844	8.5
189.12801	10.9
191.14412	6.5
193.10107	6.4
193.12213	9.7
194.10910	10.0
195.11697	18.7
196.12213	6.0
197.13239	18.9
203.14345	19.4
207.11659	6.1
207.13768	9.9
209.13242	17.5
211.14825	9.4
221.13400	7.0
221.15359	60.3
222.15721	11.0
223.14777	5.2
237.16428	7.5
247.14667	5.9
247.16949	9.3
247.69621	5.3
252.72118	5.3
253.94218	5.7
259.17001	9.0
266.20108	6.6
274.19168	11.3
287.19995	6.0
311.29382	11.5
325.21655	9.1
337.21793	8.5
341.10025	5.6
352.23956	59.1
353.23981	7.3
365.24701	19.5
366.25491	15.4
371.22638	9.1
491.35562	10.4
492.35388	18.3
504.36050	61.8
566.41125	7.0
584.42078	46.6
584.55945	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.05515	10.5
57.07076	9.5
57.40742	2.5
59.04999	4.9
65.03937	3.9
66.12563	2.9
67.05511	11.3
69.03419	7.2
69.07067	7.5
79.05498	23.7
80.06267	5.5
81.07053	34.0
83.04993	7.1
85.06527	4.5
89.06036	5.5
91.05480	42.1
93.07045	44.6
95.04986	22.9
95.08624	21.1
97.06551	5.9
105.07031	76.9
105.07750	3.9
106.07882	5.2
107.08595	28.9
109.06530	9.9
109.10188	9.4
110.80163	2.6
115.05434	4.8
116.06276	3.0
117.07006	23.7
119.04960	3.7
119.08585	64.2
119.09444	3.5
120.09393	3.5
121.06535	8.5
121.10136	25.2
123.08062	32.1
123.11743	3.3
125.06011	6.7
128.06248	11.5
129.06981	17.1
130.07788	8.1
131.08574	44.6
132.09348	7.8
133.06491	4.2
133.08594	4.3
133.10133	31.8
134.10945	2.9
135.08031	15.8
135.11711	6.2
137.05963	4.6
137.09608	13.8
138.10352	2.9
139.07532	4.3
141.06978	6.2
142.07758	19.1
143.08571	39.6
144.09360	13.1
144.51816	2.5
145.06509	3.7
145.10126	88.5
146.10678	4.0
147.08046	24.2
147.11729	11.5
149.09612	8.6
151.07578	9.3
153.06958	3.9
155.08562	16.6
156.09357	11.8
157.10121	59.3
158.10907	15.7
159.08086	5.5
159.11705	32.6
160.08789	2.5
160.12434	2.8
161.09587	14.1
161.13184	2.9
163.11194	11.7
165.07068	4.5
165.09116	43.5
166.07938	3.5
167.08580	6.6
168.09315	5.1
169.10147	21.5
170.10857	9.2
171.11685	28.6
172.12376	7.0
173.09625	6.8
173.13249	12.2
174.14085	3.0
175.11214	19.0
177.09142	3.1
179.08574	5.5
180.09247	4.8
181.10161	12.5
181.12247	9.1
182.10910	7.6
183.11662	19.4
184.12407	3.6
185.09641	3.2
185.13214	13.1
187.11169	6.4
187.14780	3.8
189.12766	10.5
190.13553	11.7
191.10638	3.9
191.14351	5.0
193.10194	7.3
193.12303	10.5
194.10919	4.6
195.11775	12.9
195.13454	2.7
196.12454	5.1
197.09596	4.0
197.13266	8.4
198.10463	3.1
198.14069	3.0
199.11252	3.7
199.14870	6.4
201.12805	7.4
203.14270	20.6
206.10954	3.9
207.11830	5.1
207.13838	9.7
208.12633	4.2
208.14656	7.8
209.13280	11.7
210.14021	3.3
211.11200	4.7
211.14830	7.2
213.12767	5.5
219.13818	7.5
221.13246	7.0
221.15320	61.3
222.15933	3.8
223.14801	8.2
225.12854	3.7
225.16322	4.7
227.14536	3.2
234.16187	9.2
235.14784	4.9
236.15317	2.6
237.12718	7.9
237.16479	3.9
239.14296	3.8
239.17984	5.1
247.16959	10.7
249.16389	3.6
253.15942	3.1
259.16995	9.7
260.17685	5.1
261.16461	3.0
266.20465	5.7
270.35132	2.7
271.17026	4.1
274.19394	13.1
277.15915	3.6
285.18448	4.0
287.20166	13.2
299.20135	10.7
300.20844	10.7
311.29318	4.3
313.21661	5.1
313.42059	2.7
325.21591	10.4
337.21677	11.8
351.23077	3.7
352.23935	85.4
353.24500	12.2
365.24652	22.7
366.25418	15.8
404.30820	5.2
446.31699	6.8
491.35147	11.1
504.35995	100.0
505.36191	12.4
545.19843	2.8
554.55438	3.1
584.42078	12.7
584.56006	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.3
55.05511	14.3
57.07080	17.7
58.93403	3.5
59.05008	4.5
65.03957	4.4
67.05513	25.2
69.03444	4.3
69.07075	16.9
70.06577	3.9
70.17728	10.1
71.08626	4.1
74.70608	2.8
79.05490	27.5
81.07057	35.4
83.04999	4.6
83.08629	4.2
85.06541	3.7
89.06041	15.6
91.05472	43.0
93.07057	48.7
95.04970	12.3
95.08604	41.5
105.07030	66.9
105.07677	5.5
107.08585	44.3
108.09425	3.5
109.06550	11.0
109.10173	18.2
111.07209	2.7
117.07014	29.4
119.04938	3.6
119.08578	86.0
119.09439	4.4
121.06542	4.8
121.10163	31.1
123.08075	11.7
123.11709	6.0
125.06042	3.8
128.06281	7.0
129.07010	12.5
130.07787	12.1
131.08562	46.4
132.05750	4.7
133.06456	4.9
133.08603	12.3
133.10124	35.3
135.08037	16.3
135.11713	15.5
137.09645	13.4
141.07024	7.3
142.07788	22.1
143.08566	38.0
144.09323	15.9
145.10126	100.0
147.08049	16.1
147.11700	19.6
149.09660	9.3
151.07515	9.7
154.07770	3.9
155.08589	18.4
156.09358	17.6
157.10135	52.9
158.10841	9.0
159.08072	7.7
159.11697	49.7
161.09615	7.0
161.13272	9.2
163.11209	9.7
165.07013	4.7
165.09125	19.4
166.09355	3.4
167.08635	8.6
169.10097	21.1
170.10916	7.3
171.11697	29.8
172.12489	6.9
173.09596	9.1
173.13231	23.2
175.11241	7.6
175.14854	11.1
177.12689	5.2
179.08702	3.9
180.09395	3.5
181.10097	10.4
181.12321	7.9
182.10883	7.2
183.11736	20.6
185.09625	4.1
185.13266	18.7
187.11130	5.1
187.14857	8.1
189.12759	6.5
190.13443	3.4
191.14407	3.9
193.12276	6.2
194.10860	4.9
195.11725	14.6
196.12427	4.1
197.13362	17.2
199.11159	6.2
199.14864	6.9
201.16399	34.8
203.14304	19.1
203.18091	6.5
207.09975	7.3
207.11731	11.5
207.13744	7.3
208.12508	4.8
208.14552	6.1
209.13287	15.8
211.14784	9.6
213.12697	3.4
219.11636	4.9
219.13692	4.5
221.13284	6.2
221.15346	61.0
222.10489	3.7
222.15848	4.1
223.14709	8.8
225.16444	6.6
231.17609	3.6
234.16179	7.4
235.14803	7.1
237.12764	4.3
237.16455	4.7
239.07031	5.1
247.14722	4.3
247.17001	8.7
251.07030	4.3
251.17871	3.6
251.90042	3.5
253.15907	4.8
255.10172	4.8
256.26270	4.2
265.19522	4.8
267.06555	3.8
269.07922	3.9
271.77448	3.1
281.08228	6.0
281.18942	6.0
282.08774	5.6
283.05899	4.0
283.09821	4.3
283.26089	3.5
284.06873	4.1
293.08051	6.2
294.08734	3.7
298.08270	4.4
299.20062	9.5
300.28925	7.8
311.09174	15.7
311.29474	10.4
313.10599	15.7
325.07022	4.2
325.10754	5.8
325.21698	9.6
327.08728	6.9
327.12378	5.2
328.09143	3.5
337.21652	7.4
341.10159	49.5
343.11682	9.8
352.09802	3.8
352.23990	66.2
354.11115	4.5
355.11609	15.3
355.15430	12.0
356.16257	6.3
357.13553	8.2
365.24820	14.5
371.22568	7.9
372.26340	3.1
378.25589	4.9
383.11285	26.6
385.12833	11.8
397.27557	4.9
398.28198	7.1
404.30753	8.5
404.48944	3.8
412.29858	15.5
438.31085	11.4
489.33652	7.8
491.35352	11.0
492.35507	5.0
504.35986	92.7
505.36224	11.5
521.99432	3.6
541.25739	7.1
584.41980	24.0
584.56104	28.6
585.28461	10.0
585.42352	6.1
585.65411	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.0
55.01870	3.2
55.05500	16.4
57.07074	16.0
59.04993	4.8
65.03931	3.8
67.05505	23.5
69.03423	10.2
69.07081	16.0
69.10875	7.9
69.11295	18.0
70.06593	3.8
71.08630	3.0
76.18132	2.9
79.05485	29.2
81.07055	44.9
83.04972	8.1
83.08626	7.5
85.06525	6.0
88.07630	3.6
89.06026	18.5
91.05473	47.4
93.07043	62.7
95.04980	15.5
95.08610	31.4
97.06528	6.3
103.05463	4.8
105.07032	92.1
106.07851	3.6
107.04971	2.9
107.08595	50.4
109.06519	11.8
109.10157	18.0
111.08125	3.2
115.05441	7.6
117.07029	25.7
119.08573	100.0
120.08801	2.9
120.09403	4.5
121.06494	7.0
121.10143	36.1
123.08055	14.9
123.11723	7.2
128.06221	10.7
129.07005	22.0
130.07806	6.4
131.08566	48.1
132.09354	5.8
132.10272	3.2
133.06470	5.4
133.08586	11.2
133.10129	43.4
133.66156	3.0
135.08047	15.4
135.11694	14.2
137.09599	10.0
141.07011	7.2
142.07784	23.3
143.08548	42.1
144.09383	16.8
145.10110	74.7
146.10628	4.3
147.08023	22.4
147.11714	17.8
149.09656	14.8
149.13266	4.0
151.07535	10.0
153.07010	3.8
154.07791	3.1
155.08492	19.4
156.09329	20.1
157.10121	71.1
158.10863	12.7
159.08060	5.5
159.11678	45.9
160.08878	3.4
161.09605	10.0
161.13281	8.8
161.31715	2.9
163.11185	13.5
165.06982	4.2
165.09088	32.8
167.08560	9.6
167.47873	3.7
168.09265	8.6
169.10146	22.1
170.10902	13.2
171.11647	38.7
172.12415	8.9
173.09624	6.8
173.13226	22.7
175.11180	16.4
175.14828	13.1
177.11237	3.8
179.08588	8.5
180.09297	6.3
180.11438	3.2
181.10051	14.1
181.12247	8.2
182.10912	11.1
183.11697	26.2
184.12354	4.8
185.09729	3.9
185.13316	20.4
187.11125	5.4
187.14821	10.6
189.12718	11.3
190.13571	6.7
192.09380	3.7
193.10117	9.5
193.12265	12.2
194.10956	6.0
195.11717	15.6
196.12445	5.5
197.09662	6.9
197.13251	20.7
198.13861	4.6
199.11116	6.9
199.14809	10.3
201.12759	3.2
201.16415	7.1
203.14273	20.0
205.15611	3.1
207.11682	12.8
207.13844	9.2
208.12500	4.6
208.14551	5.8
209.13258	23.7
210.14153	4.7
211.14790	14.1
213.12735	5.0
214.13461	3.9
219.11768	3.7
219.13762	3.7
220.12335	3.9
221.13272	11.9
221.15367	62.1
222.15739	4.9
223.14833	12.7
225.12740	3.6
225.16379	6.0
229.15784	4.2
231.11603	4.7
233.13222	5.7
233.15334	5.1
234.16145	12.0
235.14766	10.4
237.12756	4.1
237.16344	6.1
239.17934	5.5
241.19553	4.3
245.13194	4.9
247.14696	5.0
247.16934	10.1
249.16364	5.6
251.17867	5.9
253.15929	3.5
259.17014	4.6
259.45587	3.0
263.18106	4.4
265.19543	3.6
267.17310	6.0
269.19208	3.1
274.19293	8.8
281.19061	6.5
287.20062	5.1
295.20856	3.9
297.18439	4.4
297.22327	3.1
299.20105	11.4
300.20795	4.8
300.28897	7.0
309.22446	3.5
311.29477	7.5
312.20828	4.3
325.21536	8.1
329.23480	3.6
337.21585	13.0
352.23917	83.5
353.24237	8.2
365.24832	17.1
366.25427	4.7
404.30704	8.0
412.29724	18.7
438.31339	11.1
489.33694	5.3
491.35059	12.4
492.35257	3.9
504.35968	99.4
505.36255	11.9
571.50372	4.1
584.42023	23.3
584.55872	19.0
585.42834	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.9
55.05507	16.2
57.07065	10.5
67.05502	22.6
69.03433	6.1
69.07064	9.9
70.06622	4.7
70.18983	10.8
70.19354	6.6
71.08661	4.8
79.05495	33.7
80.06284	8.1
81.07063	44.3
83.04985	7.2
83.08615	9.5
83.42408	3.3
85.06508	4.5
87.04452	4.0
89.06032	18.2
91.05482	56.2
93.07050	57.5
95.04967	29.1
95.08604	27.7
97.06557	5.6
105.07034	100.0
107.08594	43.0
109.06536	8.9
109.10181	24.5
115.05476	7.0
117.07027	34.1
119.08588	66.1
121.10141	32.9
121.38374	3.7
123.08072	38.6
125.09650	5.6
128.06239	14.4
129.07001	24.0
130.07788	10.2
131.08554	50.5
132.09334	6.1
133.08607	10.7
133.10107	40.6
134.10518	3.3
135.08069	8.0
135.11702	8.1
137.09622	7.9
141.06952	7.9
142.07782	22.3
143.08546	42.8
144.09346	13.1
145.06453	5.3
145.09001	7.2
145.10124	95.0
146.10796	7.5
147.08104	4.8
147.11748	22.9
149.09686	3.8
153.07019	5.7
155.08585	18.7
155.10629	6.5
156.09331	17.1
157.10103	60.5
158.10979	18.2
159.08028	10.2
159.11685	43.9
160.08914	7.4
160.12538	6.3
161.09666	9.0
161.13268	10.9
163.11209	6.7
165.06998	4.7
166.07811	4.3
167.08568	10.7
168.09361	8.0
169.10138	25.4
170.10889	7.5
171.11655	39.3
172.12383	4.6
173.09714	4.0
173.13292	17.7
175.11218	4.1
177.11237	4.1
179.08611	7.1
181.10117	18.4
182.10872	7.1
183.11662	18.6
185.13284	21.1
186.14044	5.1
187.14813	6.7
189.12714	6.0
190.13480	4.1
191.14371	4.6
193.10115	10.4
194.10843	4.2
195.11678	20.1
196.12520	8.3
197.13170	24.8
199.14833	14.4
203.14406	6.9
206.10880	4.6
207.11749	11.9
208.12375	4.8
209.13272	19.3
210.14037	7.4
211.14890	13.7
213.16286	5.9
221.13252	13.3
221.15250	8.7
223.14862	12.6
225.12675	4.5
225.16373	12.7
231.98732	3.8
233.13206	5.1
235.14798	9.1
237.16411	8.7
247.14676	4.7
251.17781	3.9
261.16498	5.6
263.17841	5.2
293.18985	4.3
300.28799	6.6
352.23938	7.5
366.25388	3.8
408.67242	3.6
446.31772	5.4
504.36157	4.7
507.54214	3.7
584.42059	12.0
584.56177	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.4
57.07076	30.7
58.07399	0.8
61.06436	0.7
65.49915	0.7
67.05506	0.8
69.07063	4.6
70.06583	0.8
70.48684	1.3
70.49040	1.2
71.08633	27.6
73.06556	8.2
79.05504	1.0
80.26678	0.7
81.07047	3.1
83.08629	4.5
85.10183	15.1
87.04476	5.9
88.07639	0.9
89.06032	100.0
90.06385	1.2
91.05473	1.3
91.07575	0.8
93.07043	2.6
95.08598	2.0
97.10173	4.6
98.23601	0.8
99.11707	3.5
103.79375	0.8
105.07060	2.1
107.07067	2.6
107.08592	1.2
109.10156	1.1
111.11734	2.6
113.13270	1.7
117.09106	5.0
119.08561	1.2
121.10151	1.2
125.13221	1.8
127.14831	1.6
130.08669	1.7
131.07034	1.5
131.08565	0.9
133.08601	54.5
135.10178	0.7
141.16429	1.7
143.08572	1.1
145.10124	2.1
157.10136	0.9
161.11746	1.2
175.09628	0.9
177.11215	20.0
177.89111	0.8
197.09984	0.8
197.22679	2.0
221.13811	4.7
239.14857	1.8
241.25401	2.2
260.64102	0.8
283.17487	2.3
285.27945	5.9
300.29050	2.3
311.29626	1.3
327.20114	1.7
329.30502	2.0
355.15433	1.0
371.22729	6.8
381.13303	1.0
387.58636	0.8
523.42517	1.4
567.44763	4.6
584.37341	0.9
584.55975	8.7
585.29083	2.1
585.37872	1.8
588.47845	0.8
602.64618	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.231
Annotation	Ficusesquilignan A
Peak:m/z	Relative Intensity
56.46021	0.3
59.29081	0.3
61.91299	0.3
68.89558	0.3
69.20551	2.1
71.36190	0.3
84.26995	0.3
86.25665	0.3
103.54584	0.4
120.44315	0.3
123.04387	0.4
129.03860	0.3
131.04939	0.4
137.05971	0.3
182.37117	0.3
197.82440	0.3
197.95328	0.3
204.68849	0.3
230.10916	0.3
301.11954	2.1
301.14911	0.3
302.12247	0.3
305.09796	0.4
356.15942	1.0
387.18155	1.1
388.18417	3.2
448.87347	0.4
523.22675	0.8
539.22528	1.3
549.21838	0.4
550.22986	0.5
567.22064	12.8
567.30908	0.8
568.22510	1.4
585.23059	100.0
586.23303	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05264	8.3
55.05510	80.1
64.10273	4.5
69.12605	37.4
83.04980	100.0
99.04449	21.6
107.81859	5.0
127.03930	8.6
132.05716	8.4
134.40930	5.2
161.69826	4.8
165.23445	5.3
166.02037	4.7
187.20053	4.4
207.10185	21.1
239.07004	6.0
251.03354	8.2
253.04936	6.2
265.04947	10.5
265.08688	7.1
266.05621	5.9
267.03015	7.2
267.06320	7.1
268.07248	5.4
279.06635	7.7
280.06952	8.6
293.04626	8.5
293.07916	11.5
294.05304	9.2
295.09515	10.8
296.06775	8.4
297.07623	36.1
299.05515	7.0
309.07407	9.4
311.05576	11.0
311.08859	7.5
313.07065	25.5
321.07373	6.4
322.08179	9.5
323.09195	45.6
324.09744	10.0
325.07101	10.1
325.10718	13.0
326.07739	24.0
328.09491	17.8
329.10187	13.3
337.07245	7.7
337.10745	11.0
339.08356	8.3
340.09320	12.3
341.10059	6.4
352.09360	8.9
353.10086	21.7
355.11700	31.9
357.09637	34.6
364.09213	7.9
365.10080	13.5
367.11597	17.9
369.13272	8.8
379.11688	25.2
397.12732	22.1
410.13498	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	85.5
71.31844	16.2
71.32192	16.4
83.04971	100.0
98.32792	11.4
99.04449	55.4
127.03879	16.0
127.50652	12.4
130.51906	11.5
132.05684	18.4
139.32727	12.0
148.12285	12.6
207.10179	34.4
235.10938	15.0
239.03578	19.4
243.69635	13.6
251.06956	21.5
253.04976	15.6
253.60329	13.3
255.06389	18.4
265.08188	16.0
267.06488	17.6
279.06519	23.8
280.07162	15.7
281.08130	15.0
283.09665	22.5
285.07501	41.9
293.08032	27.3
295.05850	19.8
311.09161	79.1
313.10764	15.2
314.07635	16.9
325.10733	37.1
337.10419	15.7
341.10062	47.4
343.11826	84.0
355.11749	25.2
357.13351	14.6
367.11728	30.3
385.12912	23.6
413.69962	14.3
496.16705	12.7
508.05850	15.2
585.25732	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90535	0.5
55.05512	1.0
55.05777	0.6
56.96553	0.8
65.81898	0.6
67.05524	0.8
71.30788	0.9
71.31161	0.7
83.04961	1.5
83.22575	0.5
172.12004	0.6
208.70879	0.6
261.18829	0.6
266.03464	0.7
273.14835	0.7
303.12698	0.8
383.15533	6.0
401.16293	7.1
423.19098	8.0
441.19281	0.8
463.21164	1.0
474.58652	0.8
481.22910	5.3
494.77621	0.7
499.24506	5.1
500.25055	0.9
541.25623	21.1
542.25677	2.1
585.24561	100.0
586.24963	10.7
595.19629	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2462
Annotation	Iryantherin C
Peak:m/z	Relative Intensity
53.03931	1.3
55.01869	2.1
55.05516	3.7
57.03420	1.1
59.55154	0.4
61.89790	0.4
67.05514	4.8
69.01907	1.7
69.02325	2.7
69.03441	0.9
69.07056	1.0
70.05460	0.4
71.04996	1.1
75.69873	0.5
79.05495	6.2
81.03412	6.0
81.07053	4.1
83.04958	1.6
83.08598	2.5
85.02888	2.0
91.05476	5.4
93.07043	3.7
95.04970	5.1
95.08590	1.8
95.83201	0.4
97.02866	1.1
97.10153	1.7
103.05442	1.2
105.07040	4.5
107.04929	1.7
107.08582	1.6
109.02881	18.7
109.06529	1.2
109.10173	1.1
111.04450	1.1
111.08079	1.0
115.05454	1.4
117.07008	2.3
119.04949	0.7
119.08571	1.9
121.02863	0.7
121.06479	1.7
121.10120	1.3
123.04401	0.5
123.08031	0.8
125.09601	1.7
128.06221	0.7
129.06985	2.5
131.04913	1.6
131.08580	2.1
133.06476	1.7
133.10097	1.1
135.04318	0.7
135.08054	1.2
135.11702	0.7
137.05905	0.5
141.07001	0.8
143.08470	0.9
145.06482	1.9
145.10095	1.6
147.04402	2.2
147.08083	0.7
147.11687	1.0
149.05957	0.5
149.09547	0.8
153.06993	0.8
155.08601	0.6
157.06444	1.0
157.10114	1.1
159.08092	0.9
161.05984	4.0
163.11182	1.4
167.07036	1.0
167.08388	0.5
171.08022	1.0
171.11551	0.8
173.05972	1.5
173.09608	0.6
174.66966	0.5
175.07510	0.8
175.11131	1.7
181.10214	0.6
183.08035	0.8
184.07405	0.8
185.06012	0.7
187.07498	1.1
189.05446	3.3
189.11215	0.6
190.06161	0.7
193.12231	3.2
197.06087	0.6
199.07474	0.5
203.06877	0.7
204.60561	0.4
211.13246	1.8
213.09068	0.7
232.73019	0.5
241.08353	0.6
255.13721	1.5
257.15451	0.7
265.12164	0.5
267.15884	0.8
273.14856	4.2
278.88367	0.6
283.13196	1.0
285.14761	0.7
301.11179	1.0
301.14346	15.0
311.15994	0.5
319.15341	1.0
323.16336	0.8
341.17572	0.9
375.18167	1.1
383.18491	0.6
399.15555	1.4
429.24054	0.6
447.25272	0.6
475.24777	1.3
493.25848	2.6
497.23022	0.8
511.26602	1.3
549.28168	0.8
567.29797	3.0
585.24298	100.0
586.24774	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	12.5
55.01871	14.8
55.05502	17.4
56.76428	8.0
57.03435	6.0
67.05511	45.6
68.18524	7.3
69.03439	23.5
69.07077	14.4
69.61409	6.1
71.28880	7.5
72.20972	6.4
74.09719	65.4
78.66199	5.9
79.05490	52.1
81.03430	18.2
81.07050	100.0
83.04995	16.1
85.06577	6.1
91.05481	67.0
93.07048	43.3
95.04981	37.9
95.08580	34.0
97.02906	21.6
105.07014	64.2
107.04965	15.5
107.08607	41.4
109.02893	31.3
109.06532	40.0
109.10181	13.2
111.04485	13.0
113.02325	7.7
115.05376	8.7
117.07034	22.2
119.04955	14.1
119.08585	32.3
121.06522	27.8
121.10172	19.7
123.04417	12.2
123.08093	22.2
128.06259	17.7
129.07007	30.5
130.07806	9.5
131.05013	8.4
131.08580	48.9
133.06487	20.5
133.10167	24.7
135.04547	7.2
135.08057	58.1
137.05991	80.5
141.07071	13.4
142.07805	14.2
143.08580	31.9
144.05701	7.7
144.48335	6.2
145.06485	21.6
145.10115	40.0
146.07327	7.9
147.08060	32.4
147.11731	6.9
149.05952	10.3
149.09633	16.5
155.08586	29.7
156.09288	17.8
157.06493	13.2
157.10141	30.8
158.07304	12.1
159.08051	38.5
159.11708	25.2
161.05988	16.0
161.09639	22.2
165.07033	16.3
167.08614	20.3
169.10146	22.2
171.08072	26.4
171.11800	12.8
173.06007	13.7
173.09641	34.1
175.07565	26.0
175.11171	23.5
177.09177	16.1
179.08571	14.1
181.06450	12.9
181.10149	20.7
183.08084	18.1
183.11693	14.9
184.08727	6.6
185.09656	26.2
186.10324	8.8
187.07513	15.3
187.11234	22.6
191.10687	9.0
192.09366	11.0
193.08627	17.6
193.10223	15.8
193.12241	10.0
194.09079	15.8
195.08044	13.1
195.11720	13.4
196.08861	12.9
197.09665	29.7
197.13225	14.4
199.07658	11.4
199.11191	24.6
201.09096	15.3
205.10194	9.1
206.10876	8.1
207.11772	25.1
209.09665	22.6
209.13300	12.6
211.11211	30.4
213.09154	10.7
213.12703	12.4
215.08778	7.4
215.10732	23.1
217.08591	13.4
218.10933	8.6
219.11942	9.3
221.09692	17.3
221.13347	9.5
223.11234	29.5
224.11728	7.3
225.09268	8.4
225.12772	21.2
227.14357	9.8
229.12100	10.0
231.11711	10.5
235.11221	16.2
235.14760	8.5
237.09134	11.3
237.12807	24.3
239.10751	18.3
246.10280	7.7
249.12755	20.8
251.14516	8.7
253.12285	19.9
255.13881	8.0
261.12701	12.5
263.14273	12.2
264.14761	7.4
265.12091	7.7
271.13297	10.9
272.11746	7.2
273.12692	10.8
275.14401	10.5
277.15936	9.1
279.13876	16.7
289.15692	13.2
291.13879	12.0
301.14462	29.5
305.15472	8.0
305.18948	7.6
315.17487	10.5
319.13348	8.2
319.16959	14.7
329.15479	8.7
333.18445	24.2
345.18555	18.1
351.19473	22.3
361.17865	46.3
363.19531	23.5
373.18103	11.9
375.19357	10.4
379.19131	48.5
387.28903	17.6
391.19034	18.8
397.20203	11.6
405.29825	15.3
409.20264	37.7
415.22830	8.7
425.21045	15.7
443.22150	29.2
445.24036	9.8
453.20447	20.8
461.23029	25.4
471.21655	52.8
473.23260	13.2
489.22589	81.8
490.22849	14.4
503.24057	11.0
507.23639	29.4
509.26038	10.2
525.25391	8.8
531.24329	10.0
549.24750	22.8
567.26044	12.5
585.23334	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
54.12514	1.2
55.05509	8.4
57.07079	3.4
62.45251	1.2
67.05508	13.0
69.07075	8.8
70.06596	1.9
70.70068	1.1
71.08621	2.3
71.30496	1.3
73.28250	1.4
74.01114	1.4
75.04485	1.7
79.05500	10.4
81.07060	21.8
83.05000	2.4
83.08621	3.9
89.06030	4.7
89.53165	1.2
91.05494	18.0
93.07038	18.1
95.04972	1.4
95.08603	18.8
99.04492	2.7
101.06042	2.0
103.38457	1.1
105.04531	1.3
105.07034	30.5
106.07377	1.3
107.04974	1.3
107.08588	24.2
109.06528	2.2
109.10152	8.0
115.05460	4.5
116.06230	2.2
117.07027	14.9
119.04906	2.6
119.08591	24.3
121.10143	9.4
123.08109	1.6
123.11739	1.5
128.06198	2.6
129.06960	8.1
130.07782	10.3
131.08572	26.1
132.05725	5.6
133.08594	2.0
133.10135	11.4
135.11678	4.2
137.06021	3.7
141.06973	2.7
142.07779	2.2
143.08585	8.2
144.09352	4.5
145.10123	100.0
146.10751	3.6
147.08069	3.4
147.11679	9.3
149.09660	1.3
151.11298	1.2
153.06956	2.0
153.50595	1.4
157.10117	6.3
158.10878	2.4
159.11690	41.0
160.05153	1.3
160.12177	2.3
161.09673	2.0
165.07027	2.9
165.09079	1.5
167.07166	1.4
167.08528	2.0
167.25432	1.3
169.06465	2.2
171.07968	1.4
171.11713	2.8
173.09631	2.5
173.13240	10.0
179.08646	2.2
179.10632	2.4
181.06500	2.2
181.10107	2.7
183.04451	1.2
185.05931	1.6
185.09608	1.6
185.13251	2.3
187.07697	1.5
187.14827	3.3
191.08521	1.3
194.07295	2.1
195.08072	3.7
196.08896	2.5
197.06018	3.5
197.09636	2.4
198.06779	2.4
199.07504	3.1
199.14772	2.7
201.16388	67.9
202.16841	3.6
203.17996	5.2
206.07318	1.8
207.08334	2.3
207.10144	15.4
207.11823	0.8
209.06050	2.7
209.09666	3.3
210.06729	3.4
211.07578	4.4
211.11130	2.5
212.04758	1.7
213.05507	2.8
213.09154	2.1
215.07031	2.4
219.08189	2.1
220.08855	2.3
221.06085	2.0
221.09583	1.9
221.15343	1.3
222.06845	2.6
223.07547	5.6
223.11111	2.0
224.08278	4.8
225.05536	2.2
225.09090	7.4
225.11119	1.5
226.06195	4.3
226.09921	4.1
227.07039	7.9
227.10590	3.2
228.07774	2.2
229.05077	2.1
229.08568	2.3
234.06902	2.0
235.07506	3.8
235.11203	2.9
236.08344	2.7
237.05450	2.2
237.09099	9.1
238.06212	2.3
238.09891	3.3
239.06993	6.3
239.10663	3.0
240.07816	5.4
241.04994	5.0
241.08638	5.2
241.12250	1.4
242.09407	3.6
243.06497	2.7
244.07231	2.1
245.08061	1.6
248.08342	3.6
249.09094	5.4
249.11267	1.8
250.06284	4.3
250.09825	2.9
251.07062	11.1
251.10721	3.8
252.07822	5.6
252.11490	3.6
253.04913	2.6
253.08609	7.6
253.12244	3.5
254.05663	3.0
254.09357	5.8
255.06564	5.5
255.10164	5.4
256.07294	5.7
256.11191	2.0
257.08099	6.3
257.11731	3.1
259.05997	2.6
259.09659	5.0
263.07144	3.3
263.10565	7.0
264.07950	3.0
264.11487	2.3
265.05884	2.0
265.08615	12.6
265.12125	4.0
266.05777	1.6
266.09259	3.9
267.06708	7.4
267.10107	7.6
267.13577	2.1
268.07394	6.1
269.04749	1.8
269.08118	8.0
269.11514	6.0
270.05402	1.6
270.08878	3.2
271.05981	1.2
271.09686	7.3
275.09216	1.7
277.08636	4.2
278.05865	1.5
278.09235	2.7
279.06580	8.8
279.10156	6.6
280.04044	1.4
280.07324	5.0
280.10904	9.8
281.04608	3.7
281.08127	12.0
281.11722	9.8
282.05637	2.5
282.08862	13.5
283.05978	4.9
283.09592	8.1
283.13220	1.2
284.06879	5.1
284.10318	2.2
285.07596	12.7
285.11230	7.3
286.08328	2.1
287.09372	1.5
291.10129	4.7
292.07263	2.3
293.08078	10.8
293.11691	4.2
294.08823	6.0
294.12189	1.6
295.06064	3.9
295.09641	7.2
295.13306	17.4
296.06860	3.6
296.10471	2.2
296.13828	4.3
297.04462	1.4
297.07571	6.1
297.11218	11.8
298.08331	15.5
298.11490	2.2
299.09198	8.3
299.12244	1.8
300.06232	1.6
300.09793	3.6
300.29224	1.7
301.07101	1.4
305.08136	2.1
306.08737	1.5
307.09604	3.5
307.12973	1.6
308.06915	1.7
308.10370	5.7
309.07553	6.8
309.11212	12.2
309.14923	3.2
310.08344	12.2
310.11588	2.6
311.09119	29.8
311.12442	1.1
311.29321	2.8
312.06360	3.0
312.09839	8.9
312.13580	7.8
313.07092	5.0
313.10675	33.4
313.14090	2.1
314.08023	2.5
314.11414	7.5
315.08533	2.7
322.08243	1.7
323.09152	3.6
323.12823	16.8
324.10046	2.0
324.13467	7.9
325.07108	3.5
325.10703	17.7
325.14392	5.0
326.07718	2.5
326.11227	3.1
327.08612	9.0
327.12247	15.0
327.15942	14.6
328.09372	4.5
328.31671	1.5
329.13879	2.0
336.10016	2.9
337.10538	4.6
337.14362	3.8
339.08527	3.9
339.12131	2.6
339.16357	1.5
340.09326	7.0
340.13007	2.3
341.10199	90.3
341.13852	12.6
342.10699	7.4
343.11786	13.4
344.16138	1.7
349.10709	2.0
351.08084	1.4
352.09433	2.6
353.10220	5.6
354.10950	5.7
355.11633	26.1
355.15424	87.5
356.12274	3.1
356.16104	70.6
357.12903	8.6
357.16815	5.2
359.18536	38.0
360.18958	2.4
365.09894	2.0
365.13956	2.5
367.11761	8.0
368.08655	1.6
383.11249	47.7
383.21793	1.4
384.11887	7.0
385.12842	28.1
386.12921	2.5
387.18027	36.5
387.23050	2.0
388.18289	3.0
511.25314	6.4
525.25189	2.6
541.25848	15.1
542.26373	2.7
543.26843	2.5
584.55872	5.4
585.28156	22.6
585.37689	10.7
585.45032	4.6
585.56287	5.0
586.28876	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90845	3.1
53.60263	2.9
54.36077	3.3
55.01885	3.2
55.05510	9.6
57.07075	13.3
67.05496	19.7
69.07079	13.6
70.06596	6.4
71.29916	5.1
72.36616	3.0
79.05504	19.0
81.07052	22.9
83.05003	4.1
83.08620	7.2
85.10198	4.1
88.07609	3.1
89.06028	7.8
91.05496	24.0
93.07052	26.3
95.05000	4.0
95.08607	24.5
97.10223	5.4
98.23035	3.9
99.04497	5.8
105.07038	40.2
107.04974	3.5
107.08597	28.5
109.06529	3.4
109.10164	11.8
112.96783	3.9
117.07008	18.6
119.04970	4.0
119.08584	31.6
121.10145	15.2
123.08159	3.3
128.06187	4.2
129.07027	8.2
130.07817	10.3
131.08601	23.2
132.05736	5.1
133.08626	5.3
133.10103	15.2
135.08064	3.9
135.11697	4.4
142.07774	5.2
143.08548	10.2
144.09270	6.3
145.10127	100.0
146.10463	3.9
147.08090	5.2
147.11713	13.6
156.09247	3.3
157.10172	18.0
159.11687	33.9
161.09561	3.8
161.13283	4.4
165.09087	3.2
169.10133	5.6
171.11702	8.0
173.13283	10.5
175.14865	4.9
182.07253	3.9
183.11845	7.3
185.13261	5.4
187.14882	7.0
197.09525	3.2
199.14926	11.1
201.16393	33.8
203.17841	7.7
207.10141	15.1
210.06859	4.7
221.15323	6.7
223.07460	2.9
224.08363	8.7
227.07062	6.2
237.05568	5.4
238.06302	4.4
239.07004	7.2
240.07849	4.7
241.08623	5.5
251.07034	7.8
252.07767	6.5
253.08603	9.3
254.09395	4.7
255.06639	7.8
255.10088	5.6
256.26489	5.1
265.08725	6.2
266.09436	3.4
267.06461	7.7
269.08069	3.6
279.06689	7.7
279.09784	3.8
280.07199	4.8
281.08093	11.3
282.05923	4.0
282.08786	17.7
283.05908	9.1
284.06824	10.4
285.11331	7.3
293.08121	8.7
294.09055	4.1
295.09619	7.5
297.07782	3.8
297.10950	4.7
298.08356	19.9
299.09549	4.0
299.12967	4.6
300.29053	4.4
309.07547	5.4
310.08331	5.7
311.09207	23.6
311.29559	4.1
312.09836	6.7
313.07236	3.6
313.10614	43.2
325.07211	4.8
325.10675	10.4
327.08795	6.1
327.12125	19.8
339.08630	5.6
340.09409	5.5
341.10223	81.3
342.10712	7.1
343.11987	6.3
353.09769	5.0
354.10995	4.6
355.11801	34.8
355.15515	3.6
357.13440	4.8
367.11789	5.0
383.11288	48.8
384.11844	7.4
385.12808	26.8
386.13318	4.7
425.15979	5.4
505.36292	6.2
541.25348	8.6
584.55792	16.6
585.28778	20.6
585.44153	11.4
585.55634	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2883
Annotation	Ouabain
Peak:m/z	Relative Intensity
50.07014	0.2
55.05518	0.3
58.25618	0.3
61.27932	0.3
61.32089	0.2
68.06726	0.3
73.65914	0.2
80.44055	0.3
82.99947	0.3
83.01103	1.3
84.52003	0.3
91.05444	0.4
93.07057	0.4
95.01105	0.7
96.01897	0.3
98.22578	0.6
102.53358	0.3
105.07057	0.4
139.21817	0.3
147.04517	0.3
157.04765	0.4
167.07034	0.3
176.65413	0.3
184.03490	0.7
185.04247	1.3
201.03729	1.5
203.05278	1.7
211.44124	0.3
259.07880	2.5
291.15662	0.7
291.34131	0.3
307.33032	0.3
317.08389	0.5
331.10004	3.2
345.11780	0.8
349.19830	0.6
357.13303	0.3
358.02048	0.3
359.13470	0.3
373.14893	0.4
387.16412	1.2
399.18060	0.3
401.17911	1.4
409.34726	0.3
423.23279	1.8
452.93106	0.3
469.20700	0.9
515.21136	1.2
567.26953	0.4
585.28870	100.0
586.29156	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	0.5
53.92149	0.3
55.01880	0.5
55.05503	0.7
59.57119	0.4
67.05517	1.0
69.07068	0.6
69.38116	1.7
79.05512	1.0
81.07065	1.3
83.01091	0.6
85.02929	0.4
91.05495	1.2
93.07084	0.5
95.01131	0.5
95.05001	0.6
97.06592	0.5
97.26024	0.4
98.22561	0.5
103.05507	0.5
105.07053	1.8
106.07370	0.4
109.02878	0.7
109.10159	0.7
119.08642	0.6
137.06001	0.6
181.08459	0.7
185.04276	1.4
201.03751	0.7
203.05341	1.8
259.07779	2.3
265.14120	2.0
291.15884	1.5
301.14349	1.0
317.08679	0.8
331.09879	2.7
357.13739	0.6
359.14880	0.5
381.54376	0.4
401.17722	0.9
423.23596	4.2
457.20816	0.6
469.20877	0.9
511.28674	0.5
515.21045	1.1
541.25708	0.8
585.28894	100.0
586.29382	10.2
586.38678	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2914
Annotation	Ouabain
Peak:m/z	Relative Intensity
55.01821	1.4
55.05504	1.7
60.79557	1.2
67.05495	1.8
69.03413	2.9
71.30351	1.8
71.58457	1.1
73.02910	1.0
79.05448	2.0
81.07027	4.1
83.04958	1.8
84.43793	1.2
85.02895	1.2
91.05450	3.6
93.07015	3.4
95.04956	1.7
95.08566	3.4
97.02879	2.5
97.06516	1.9
105.06995	4.3
107.04984	1.6
107.08552	2.4
109.06469	4.4
109.10135	1.9
111.08042	1.5
117.06982	2.1
119.04911	1.4
119.08516	4.2
121.06481	1.2
121.10215	1.2
123.08045	2.6
125.05963	2.7
129.06970	1.9
131.08588	4.9
133.06464	1.5
133.10060	3.9
137.05937	2.1
141.06935	2.4
142.07722	1.3
143.08533	6.9
145.06372	1.5
145.10095	3.2
147.07968	1.7
147.11632	3.0
154.07687	1.9
155.08493	3.6
157.10049	3.5
159.11635	3.6
161.05905	1.2
161.09598	1.5
163.07433	2.1
165.09023	2.8
167.07056	1.9
167.08432	2.5
169.10139	4.9
171.11623	4.3
173.09558	2.8
175.11206	2.7
179.08534	1.7
181.09996	2.3
183.11583	3.1
185.09425	1.2
187.11150	2.6
189.08992	1.2
193.10040	2.8
195.11607	3.3
197.13118	2.3
199.11124	1.7
203.10558	1.3
205.10120	1.9
207.11664	2.0
209.13150	2.3
211.10989	1.3
211.14664	1.2
213.12701	1.7
213.16283	1.2
221.11383	1.3
221.13330	1.6
223.11165	1.8
223.14725	2.4
225.12828	1.9
227.14139	1.8
232.12257	2.0
233.13141	1.4
235.14780	2.0
237.12640	1.3
237.16306	1.9
239.14127	1.4
247.14711	2.5
249.16386	2.3
263.14056	1.8
264.78729	1.0
265.15726	3.7
265.19632	1.1
266.16638	1.3
266.19849	1.3
277.19455	1.1
281.15503	1.3
295.20154	1.5
299.09103	1.3
315.12067	3.2
317.18701	1.2
322.65649	1.2
324.12854	1.4
330.14453	1.4
356.15515	2.2
387.17749	2.9
388.18344	8.5
401.23090	1.6
423.23050	3.5
437.23172	1.2
449.23773	1.4
455.24261	12.1
456.24396	1.6
469.25409	2.2
473.25354	100.0
474.25681	9.1
485.24902	3.2
503.26065	3.7
511.22565	1.2
531.25256	2.5
549.26434	4.3
567.21295	3.8
585.22015	45.2
586.22601	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
57.07075	0.3
57.35383	0.2
67.05499	0.6
67.18137	0.2
69.07062	0.7
69.18859	1.9
70.06581	0.3
71.08609	0.2
76.34727	0.2
79.05510	0.5
81.07068	0.6
83.04961	0.2
85.02889	0.3
89.05991	0.4
91.05489	0.8
93.01247	0.2
93.07037	0.5
95.04974	0.2
95.08589	0.8
95.74414	0.2
96.24503	0.2
98.23257	0.5
99.04485	1.2
105.07030	0.9
107.08575	0.5
109.10198	0.4
117.07003	0.3
117.15166	0.2
119.08588	0.9
121.10114	0.3
125.05950	0.4
127.03867	0.4
128.06197	0.2
129.06985	0.4
130.07787	0.3
131.08582	0.5
133.10121	0.3
142.10207	0.2
143.08583	1.2
145.10117	1.3
147.07959	0.3
147.11676	0.5
153.05412	0.3
157.10193	0.4
159.08014	0.9
159.11719	0.4
165.06981	0.3
168.05727	0.2
169.10126	0.4
171.08038	0.7
172.08771	0.3
173.09628	0.8
173.13280	0.3
175.07576	0.3
178.07742	0.3
179.08438	0.4
181.06424	0.4
181.10103	0.5
182.07280	0.6
185.06007	0.2
187.07568	0.4
189.06805	0.3
191.08458	0.4
192.09320	0.4
192.71211	0.2
193.10100	0.4
194.07259	0.4
195.08041	0.8
196.05171	0.3
196.08946	0.3
197.05991	0.7
197.09647	0.5
198.06891	0.2
199.07626	0.5
201.09058	1.7
201.16289	0.5
202.07980	0.3
202.09882	2.8
203.08559	0.4
204.09441	0.4
205.06497	0.7
205.10204	0.3
206.10907	0.2
207.08054	0.5
207.11685	0.6
208.08777	0.5
209.09656	2.0
210.06729	1.7
211.07549	0.9
211.11072	0.3
212.08238	0.7
213.05431	0.7
217.10161	0.4
218.07201	0.3
219.08020	1.4
219.09970	0.4
220.08791	2.0
221.06023	0.5
221.09636	1.6
222.06744	0.6
223.07590	0.8
223.11172	0.8
224.08389	0.6
224.11723	0.2
225.05524	0.3
225.09006	1.3
226.06241	1.0
226.09819	0.6
227.07047	0.8
228.07751	0.5
231.08176	0.4
232.08846	0.4
233.05978	0.7
233.09671	0.9
234.06795	0.8
234.10411	1.2
234.12538	0.5
235.07582	1.6
235.11127	2.9
236.08356	0.4
236.11868	0.6
237.09113	5.0
237.12691	0.5
238.06226	1.0
238.09882	1.3
239.07094	1.5
239.10677	0.9
240.07820	1.0
241.04987	1.7
241.08696	0.6
241.12260	0.6
242.05624	0.6
243.06538	0.9
243.10347	0.4
247.07553	1.9
247.11366	0.5
248.08298	3.2
249.09097	5.8
249.11978	0.4
249.12807	0.5
250.06287	1.3
250.09746	1.4
251.07086	1.2
251.10576	2.5
252.07718	0.3
252.08870	0.3
252.11453	3.2
253.04880	0.3
253.08646	1.6
253.12158	1.0
254.09351	1.0
255.06522	0.9
255.10181	0.6
256.07214	2.0
257.08038	0.8
257.11865	0.3
258.08801	0.9
261.05307	0.3
261.09103	0.8
262.09937	1.5
263.07239	0.7
263.10660	5.9
264.07733	0.8
264.11383	2.1
265.08615	10.6
265.12140	1.8
266.06427	0.4
266.09302	2.5
266.12900	0.4
267.06592	1.4
267.10159	1.4
267.13806	2.4
268.07306	0.9
268.10754	0.2
269.04465	0.7
269.08218	0.4
269.11667	1.4
270.08829	0.6
271.09595	1.6
276.07822	0.8
277.05536	0.4
277.08600	5.7
277.12094	0.7
278.09201	1.3
279.06488	1.2
279.10138	3.2
280.10934	11.7
281.08105	1.1
281.11642	4.2
282.08865	1.8
282.12332	0.7
283.05875	0.3
283.09656	0.8
284.06805	2.2
285.07483	1.0
285.11133	0.8
286.08203	0.5
287.05582	0.3
287.09189	0.6
290.09576	0.4
291.10129	5.2
292.10873	3.2
293.08078	4.6
293.11642	1.9
294.08832	1.6
294.12494	1.6
295.06241	0.4
295.09827	1.2
295.13260	12.8
296.13776	2.1
297.11182	3.0
297.14420	0.5
298.11880	0.7
299.09119	3.5
299.12213	0.3
303.08447	0.4
305.11752	1.2
306.12457	3.5
307.09604	1.2
307.12674	0.4
308.10422	4.2
309.07568	0.4
309.11206	8.1
310.08344	0.8
310.11981	0.9
311.09140	0.7
311.12555	0.3
311.29169	0.3
312.10010	0.4
312.13425	1.9
313.10681	0.7
313.14047	0.4
317.10190	0.7
322.11951	0.6
323.12747	11.2
324.13464	6.1
325.10703	4.2
325.14331	1.3
326.11301	0.5
327.12338	0.5
327.15784	2.1
340.13052	4.0
341.10162	0.6
341.13742	1.4
355.15393	100.0
356.15878	13.3
357.12894	0.3
372.15363	0.3
387.17990	3.7
388.18378	0.3
472.50000	0.3
491.59555	0.2
584.55548	0.7
585.43970	0.3
585.56110	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
57.07058	0.5
67.05492	0.5
67.85516	0.3
70.06570	0.3
71.08613	0.3
71.31953	0.5
75.79924	0.2
79.05470	0.4
81.07057	0.6
83.45165	0.3
85.02906	0.3
89.06036	3.6
90.06378	0.4
91.05469	1.1
92.75857	0.3
95.04964	0.3
95.08581	0.6
105.03393	0.3
109.06535	0.3
109.10149	0.4
119.04937	0.9
119.08581	0.7
123.08012	0.3
131.08566	0.3
133.08600	1.9
134.08946	0.5
137.06000	0.5
141.05507	0.3
142.07803	0.3
145.10104	0.5
147.11641	0.3
151.07599	0.5
153.06990	0.3
157.10127	0.3
159.08060	0.5
165.06966	0.5
167.07146	0.3
167.08588	0.3
173.09671	0.7
177.11211	0.8
178.07784	0.4
178.11562	0.3
179.08588	0.3
181.06493	0.7
181.10104	0.4
182.07216	0.3
190.07887	0.3
191.08488	0.5
192.09311	0.7
193.10115	0.5
195.08078	0.7
196.08777	0.5
197.06087	0.6
199.07607	0.4
201.09099	1.8
202.07974	0.6
202.09879	2.1
203.08528	0.5
205.06610	0.5
205.10103	0.5
206.07170	0.3
207.07990	0.6
207.11743	0.7
208.08774	0.6
209.06085	0.5
209.09612	1.4
210.06744	2.2
210.10150	0.4
211.07526	1.6
212.04568	0.3
212.08209	0.3
213.05457	0.7
214.06122	0.4
217.10112	0.3
219.08078	1.1
220.08824	2.0
221.06046	0.3
221.09727	1.7
222.06749	0.5
222.10379	0.6
223.07500	0.6
223.11191	0.5
224.08293	0.9
224.12000	0.5
225.05507	0.5
225.09094	1.2
226.06125	0.5
226.09865	0.6
227.07025	0.8
231.08087	0.4
232.08759	0.3
233.05966	0.4
233.09634	1.2
234.06804	1.5
234.10388	0.6
235.07545	1.1
235.11169	3.4
236.08286	0.6
236.11624	0.3
237.05444	0.5
237.09070	3.4
237.12695	0.4
238.06212	1.0
238.09848	1.2
239.07014	1.2
239.10699	1.1
240.07770	1.1
241.04953	1.1
241.08531	0.7
242.05750	0.4
243.06555	0.6
243.76541	0.2
245.09532	0.3
247.07527	1.5
248.08319	3.8
249.09099	5.7
250.06331	1.0
250.09804	1.2
251.07025	1.0
251.10599	2.5
252.07640	0.5
252.11469	2.9
253.08612	1.5
253.12183	1.0
254.09406	1.5
255.06641	0.6
256.07224	1.9
257.08063	0.8
258.08795	0.4
261.09204	1.8
262.09845	1.4
263.07156	0.8
263.10648	7.6
264.07788	0.8
264.11420	2.8
265.08615	9.2
265.12125	1.3
266.06311	0.3
266.09311	1.8
266.12939	1.0
267.06604	0.8
267.10071	0.8
267.13834	1.8
268.07526	0.5
268.10492	0.3
269.11734	1.0
270.08896	0.4
271.09705	1.4
277.08591	11.0
278.09274	2.5
279.06647	1.0
279.10156	3.1
280.07858	0.3
280.10950	9.3
281.08411	0.5
281.11615	3.0
282.08948	2.2
283.06088	0.3
283.09430	0.6
284.06723	1.2
285.07474	1.0
285.10904	0.4
291.10098	2.4
292.10739	2.0
293.08078	3.4
293.11697	3.2
294.08755	1.9
294.12439	2.0
295.06311	0.4
295.09659	1.4
295.13229	11.7
296.11032	0.3
296.13855	1.8
297.11209	2.9
298.08514	0.4
298.11731	0.5
299.09109	2.7
300.09854	0.5
300.28964	0.3
302.07938	0.3
307.09668	1.1
308.10452	2.6
309.11218	11.0
309.14896	0.6
310.08356	0.6
310.11755	1.3
311.09241	0.6
311.12607	0.4
311.29370	0.4
312.09952	0.4
312.13519	1.0
313.10623	0.5
313.14102	0.4
314.11334	0.4
317.10065	0.3
322.11682	0.5
323.12766	10.0
324.13510	8.5
325.10663	4.1
325.14279	2.3
326.11053	0.6
327.15939	1.0
331.11884	0.3
340.13052	3.9
341.13745	1.1
343.11765	0.3
345.13147	0.4
354.63403	0.3
355.15390	100.0
356.15958	15.4
357.13193	0.5
365.13910	0.3
371.22882	0.5
372.15680	0.3
372.23068	0.8
381.12891	0.4
387.17966	3.1
494.20270	0.3
585.31622	1.2
585.56262	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61357	1.7
53.03940	4.9
55.01865	4.8
55.05512	26.6
57.07061	3.1
58.68135	1.7
65.03945	1.9
67.05507	28.1
69.03457	2.2
69.07069	13.0
69.15878	13.2
70.06599	1.8
79.05489	28.1
81.03416	5.6
81.07059	30.4
83.04988	10.1
83.08620	26.1
89.06042	5.3
90.06386	2.1
91.05472	28.8
93.07041	26.2
95.04970	21.1
95.08607	19.3
97.06533	6.3
98.06039	2.0
98.22810	6.4
105.07028	30.6
106.07361	1.9
107.04948	8.6
107.08608	17.4
109.06508	10.6
109.10162	8.3
111.08095	6.2
115.05450	1.9
117.07010	11.1
119.08578	21.1
120.08862	2.0
121.06535	5.6
121.10150	14.0
123.08092	5.3
123.11711	3.9
125.09630	4.1
129.07021	4.5
131.08560	12.4
133.06442	2.7
133.08612	4.1
133.10121	18.1
135.08058	4.8
135.11700	7.2
143.08553	2.8
145.06506	2.6
145.10133	19.6
147.08093	3.8
147.11687	12.1
148.08559	2.0
149.09625	14.3
149.13309	3.1
151.11217	3.2
155.08549	4.5
157.10141	4.6
159.11665	11.0
161.13268	2.9
163.11208	19.7
165.12772	2.2
169.10159	4.9
171.11676	5.8
172.12096	2.0
173.09645	4.0
173.13280	6.4
175.11214	3.0
177.12750	3.4
183.11711	3.0
187.11171	2.7
187.14911	2.6
189.11227	3.8
189.12811	2.5
191.14313	3.2
197.13217	3.3
201.12680	2.3
215.14259	2.3
219.13803	2.3
223.13257	13.0
229.19556	3.1
237.09146	2.6
239.17917	6.9
247.20761	3.0
249.08928	2.2
251.06796	1.8
256.07373	2.2
257.08133	2.3
257.19003	15.3
263.10690	2.8
267.06732	2.8
275.20065	100.0
276.20395	7.9
279.10272	3.0
280.07349	1.9
280.11182	2.7
281.11685	3.7
284.06903	2.9
285.07578	5.6
293.11697	3.9
293.21078	65.9
294.21564	4.3
295.09903	2.6
295.13345	4.4
297.11380	2.0
299.09091	3.0
300.09924	2.7
309.11124	5.7
311.29459	2.7
314.11465	3.1
323.12753	4.9
325.10745	3.5
325.14365	2.9
327.16064	2.7
340.13086	7.9
341.13815	14.2
355.15387	37.6
356.16144	50.6
357.16541	4.0
359.18515	17.5
385.31686	1.8
387.18082	18.4
407.27829	2.0
567.39795	2.4
584.55927	2.2
585.41833	3.3
585.56134	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.1
55.05514	74.6
55.08718	0.8
56.05841	1.2
56.93524	0.7
67.05502	4.2
67.21279	0.8
69.13805	1.8
69.14207	6.1
69.33012	0.8
79.05499	3.4
81.03436	0.9
81.07056	4.1
83.04983	100.0
84.05315	2.2
91.05477	3.0
93.07059	2.0
95.04966	3.5
95.08596	3.2
97.10184	1.1
98.48332	0.8
105.07052	2.8
107.08576	1.7
109.10135	1.5
117.07054	1.7
119.08588	2.4
119.72458	0.7
121.10111	1.7
123.04415	2.6
137.05986	1.4
145.10149	1.5
150.06714	0.9
152.06256	1.6
153.06990	2.0
159.11807	1.0
165.07016	1.2
166.51476	0.9
167.08507	2.0
181.06500	1.5
195.08066	6.2
196.08803	1.0
197.09572	1.0
199.04002	0.9
209.06042	2.0
210.06839	1.1
213.05547	1.5
223.07558	5.9
224.08049	1.4
225.05669	1.7
225.09093	15.9
226.06175	1.2
227.03452	1.7
227.07106	1.7
229.05029	1.5
235.07596	1.7
235.13312	2.0
236.04704	1.1
237.05482	2.5
238.06219	2.5
239.03339	1.3
239.06964	5.3
241.08493	2.1
251.07079	4.0
252.04128	1.4
253.04964	6.2
253.08560	11.5
254.05717	1.0
254.09241	1.6
255.02907	5.7
255.10161	1.2
263.07150	1.3
265.08649	1.8
266.05652	6.3
267.06500	12.8
268.07077	1.8
269.08051	1.1
279.06500	1.3
281.04877	1.1
281.08026	15.9
282.08719	1.6
283.02325	1.5
291.06488	2.4
293.08072	3.2
294.05179	0.9
295.06085	5.1
295.09045	1.2
297.03961	49.5
298.04648	7.9
299.09219	1.1
309.07571	13.3
309.17068	1.5
311.08987	1.3
313.03387	3.8
313.07205	1.9
313.10638	16.7
319.05917	2.8
321.07330	1.0
323.09055	1.9
325.07089	1.6
327.08624	9.8
328.09021	1.0
335.25647	1.7
337.07181	9.1
341.10199	4.2
351.08600	5.5
369.09641	15.8
397.09131	7.3
398.09406	1.0
451.13751	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.05512	57.6
57.07072	3.6
57.39556	0.7
67.05499	1.7
69.07059	1.0
69.35461	5.0
71.08629	2.4
79.05498	1.8
81.07034	1.4
82.57178	0.7
83.04981	100.0
83.08610	1.0
84.05273	1.0
85.10197	2.6
87.04492	0.8
89.06025	10.5
91.05463	1.1
93.07059	2.1
95.08578	1.6
98.22570	0.8
105.07047	2.2
107.08584	1.2
119.08577	1.8
121.10174	1.1
131.08537	0.9
133.08603	5.6
133.10133	1.8
135.63979	0.9
152.06169	0.8
157.10127	1.2
169.86467	0.7
177.11188	1.6
189.28548	0.7
223.07529	0.9
239.37675	0.9
253.08582	1.1
266.05643	1.2
271.87219	0.8
281.07986	5.4
299.08975	1.0
309.07550	4.7
327.08646	1.9
341.10205	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89608	2.0
59.80852	2.3
69.35049	4.0
69.35370	16.6
76.09129	2.2
85.02905	11.6
88.31470	2.1
90.29787	1.9
97.02904	2.5
97.13247	2.0
125.91010	2.5
130.82817	2.1
145.04965	2.8
165.06987	3.2
173.02769	2.0
174.06662	2.6
182.07365	2.4
183.08044	5.2
197.06041	5.4
199.32748	2.5
209.09583	2.7
210.06760	2.8
211.07513	20.5
212.04660	7.0
213.05470	9.9
224.04637	3.6
225.05455	7.7
227.03340	5.1
227.06989	3.0
228.07826	8.8
230.05730	5.9
238.06223	3.4
239.06960	17.2
241.05016	3.3
242.05736	7.2
244.07260	2.5
245.04575	11.4
245.08101	4.7
251.10738	3.6
252.04257	3.8
253.04936	7.8
253.08591	7.8
254.09578	3.1
255.06636	4.1
256.07211	11.8
257.08060	3.7
258.05267	6.5
259.06024	5.5
263.09543	2.1
264.07755	2.7
265.08630	4.0
267.06467	22.6
268.07178	4.0
269.04556	5.4
270.05157	4.7
271.09634	8.4
273.03955	14.0
273.07547	29.9
274.14597	2.5
279.10083	8.9
281.08078	8.2
284.06741	9.0
285.07477	8.6
287.05597	4.2
287.08835	3.7
288.06268	18.9
289.07016	6.6
299.09131	25.8
300.09509	3.2
301.06952	7.3
302.07898	5.1
303.08606	46.4
305.10150	3.9
307.09598	10.2
311.12674	10.4
313.10608	6.2
315.08560	2.4
316.09482	9.1
317.10120	19.7
325.10812	3.4
329.13770	11.0
330.11041	3.4
331.11746	100.0
332.12073	7.7
333.09528	4.5
339.12259	16.3
345.13297	11.8
357.13562	3.2
361.16473	11.3
371.14871	57.6
372.15021	4.1
389.15918	25.6
390.16254	2.6
584.77094	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01878	3.1
55.05509	1.2
57.03434	1.6
61.03457	1.0
67.05497	5.0
69.03434	5.4
69.07053	3.4
70.06599	1.4
70.67727	2.6
71.04990	2.5
79.05515	5.3
81.03408	1.7
81.07050	7.3
83.04971	1.1
85.02894	7.5
85.06532	5.9
91.05472	2.9
93.07050	12.6
95.04984	3.6
95.08614	3.5
97.02891	3.5
97.06528	4.7
99.04445	4.7
105.07027	10.8
105.24013	1.2
106.04176	1.4
107.08592	23.7
109.02879	2.4
109.06517	4.5
111.08070	1.9
113.05983	2.7
119.08577	4.7
121.06470	6.4
121.10130	14.6
123.08065	3.6
131.08615	1.4
135.08040	2.4
135.11699	7.0
137.05977	1.2
139.11188	1.8
145.04915	3.1
145.10109	10.1
147.04469	1.1
149.05980	3.2
149.09631	5.4
151.07550	4.0
153.12737	1.3
163.11179	32.2
167.10684	12.6
169.08607	34.2
173.09671	2.7
181.12212	16.2
185.11742	6.5
191.10674	16.7
207.10187	2.5
209.08112	3.0
209.11717	20.1
219.63690	1.1
227.12778	100.0
228.13054	5.2
245.13921	9.7
286.13019	1.1
485.15317	1.3
587.08405	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
62.23070	0.4
69.03420	0.8
70.82216	0.9
78.04724	0.6
79.05479	0.8
81.07021	0.8
85.02904	1.5
91.05453	0.9
93.07055	0.4
93.95357	0.4
95.04974	0.4
95.08617	0.4
95.56813	0.4
97.02859	0.6
105.07036	1.3
107.04924	0.9
107.08616	0.4
109.02873	0.6
115.79182	0.4
117.06980	0.6
119.08586	0.4
121.06516	0.4
123.04446	2.3
124.05173	0.7
128.06198	1.5
129.06984	0.5
131.08545	0.7
133.06487	2.7
137.05940	1.0
143.08556	5.6
144.08972	0.5
145.06474	0.8
145.10109	1.6
147.08038	0.9
151.03882	0.5
152.04739	0.7
155.08556	0.4
157.06483	0.4
159.08067	0.5
160.05133	0.5
160.08890	1.9
161.05988	1.8
161.09627	1.9
167.07039	26.4
171.08020	3.0
172.08784	0.6
173.05983	0.6
174.06738	2.0
175.07590	2.1
175.11183	10.3
177.05446	0.5
177.08873	0.4
178.06282	1.1
181.08641	0.5
184.07352	0.4
187.07472	0.6
188.08340	4.7
189.09149	2.7
190.09789	0.4
191.07066	2.0
192.07803	1.1
193.08574	2.9
195.10179	1.0
203.10677	10.5
204.11334	1.7
205.08549	0.7
206.09377	1.3
220.10954	1.3
221.11702	9.3
227.19974	0.5
229.05003	0.4
235.13281	100.0
236.13622	4.4
257.04529	1.9
286.04944	0.5
287.05487	1.5
313.03363	0.9
360.15323	0.6
382.17206	0.5
388.18402	0.6
389.19086	2.1
543.28210	0.4
551.23535	0.5
586.28943	3.8
587.07428	0.5
587.28284	2.1
596.68304	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.8
67.05488	11.2
69.03437	4.1
69.24033	18.6
71.05002	3.2
79.05493	6.6
81.07050	7.1
83.04967	6.5
89.06027	4.8
89.59563	2.3
91.05448	2.4
93.07030	4.8
105.07027	6.6
107.08607	3.5
133.08572	3.0
133.10106	2.6
151.11240	3.3
240.08006	2.9
253.08711	2.8
267.06461	4.7
269.08038	5.2
279.10263	2.7
281.08084	5.9
282.09058	3.5
291.10165	6.0
293.11703	3.2
295.10150	2.8
295.13251	8.8
296.10272	4.4
298.08340	3.3
299.09152	3.5
301.10498	4.0
303.08749	3.3
306.12622	3.7
307.09662	5.9
307.13141	5.0
308.10495	4.4
309.11130	4.2
309.14700	5.5
311.12854	3.2
312.09778	5.9
313.10678	10.8
314.11295	3.7
317.10144	8.0
318.11047	11.6
322.11868	4.2
323.12689	20.4
324.13367	4.0
325.41977	2.8
327.12292	7.2
332.12396	13.0
333.13120	2.6
335.12704	3.3
337.14301	20.5
338.15097	6.5
339.12167	6.8
341.17328	4.8
345.13290	5.5
354.14679	4.1
355.15466	12.6
359.14932	8.9
366.09979	2.6
369.12729	3.4
369.16980	23.9
370.17807	23.6
386.17365	6.6
401.19592	100.0
402.19824	9.9
430.98074	3.2
520.27686	3.6
551.30054	65.7
552.30145	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.0
56.44553	0.5
57.07076	33.8
65.16399	0.4
69.07060	2.0
69.17519	0.6
69.17843	4.4
69.58364	0.5
71.08630	22.3
73.06556	7.3
81.07016	0.8
83.04980	0.9
83.08617	2.7
85.09652	0.8
85.10180	20.4
87.04460	6.0
89.06029	100.0
90.06366	1.3
91.07587	0.7
93.07042	0.6
97.10159	3.3
99.11725	4.1
107.07049	2.9
111.11694	0.6
113.13295	1.5
117.09129	6.1
130.08646	1.7
131.07028	1.4
133.08597	48.6
134.08914	0.9
135.10165	1.1
155.17932	4.0
160.07530	0.6
161.11720	1.1
175.09663	0.6
177.11217	18.5
199.20567	3.8
221.13809	3.2
239.14836	1.1
240.23250	0.6
243.23216	7.6
244.23561	0.6
283.17624	1.4
287.25787	4.3
327.20261	1.2
345.50018	0.6
389.19901	0.6
415.25287	2.8
525.39703	0.8
569.42468	3.9
586.44897	1.4
587.45251	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.3
53.04148	0.9
67.05488	1.6
71.30141	1.8
74.09782	1.2
74.13986	1.2
79.05505	1.6
81.03395	1.3
81.07053	2.0
83.04930	1.5
85.02908	1.8
88.51647	1.1
95.04971	4.6
105.03392	53.5
105.04538	3.8
109.02854	1.5
128.06274	1.1
144.92111	1.2
157.17467	1.3
159.08095	1.6
165.05502	6.1
165.06989	4.1
166.07668	1.5
167.03386	2.3
167.07027	1.9
167.08537	2.0
179.08536	2.3
182.07292	7.6
185.06155	1.1
188.08359	3.1
194.07272	1.1
195.08034	2.0
196.08853	1.7
197.09625	8.3
199.07574	3.1
203.10664	5.7
207.07993	1.4
210.06754	13.8
211.07433	1.3
211.11189	1.3
212.08286	1.5
216.11348	1.2
219.08018	1.3
222.06616	2.2
222.10399	1.3
223.07504	3.3
224.08418	2.5
225.05525	2.7
225.09113	36.1
226.06258	3.2
226.09618	1.7
227.06995	3.2
231.10156	2.6
233.09656	2.1
235.07526	5.0
235.11349	1.4
237.05467	1.4
238.06224	12.2
239.06969	2.4
240.07809	5.8
241.04936	1.3
241.08580	1.5
242.09389	3.9
247.07570	1.5
247.14717	1.2
248.08357	1.8
249.09122	3.1
250.09857	2.8
251.03015	1.2
251.07045	3.9
251.10574	2.0
252.07751	2.6
253.04822	2.0
253.08597	34.5
253.11269	1.9
254.05753	2.4
254.08981	2.4
255.06517	2.7
255.10225	3.9
257.04529	2.2
261.09061	2.2
262.09799	2.1
263.07147	2.7
263.10461	1.6
264.07874	2.1
265.04904	1.3
265.08582	3.2
265.12286	1.4
266.05734	4.6
267.06491	4.2
267.10004	2.0
268.07248	8.0
269.08020	1.8
270.08887	4.9
271.06244	1.3
271.09634	1.7
277.08603	2.6
278.09366	5.0
279.06381	1.3
279.09940	4.8
280.07211	3.3
280.10657	2.4
281.08084	64.1
282.05667	1.5
282.08606	4.9
283.06183	1.7
283.09601	5.5
284.06857	3.1
285.03915	3.2
285.07156	1.1
285.11188	3.6
286.04614	1.7
291.10080	1.5
292.10901	1.6
293.08063	3.2
293.11703	7.6
294.12299	1.5
295.09683	6.3
296.06784	3.6
297.07553	4.1
297.11081	1.3
298.08429	6.0
299.09030	4.4
300.06287	2.9
305.07971	3.4
306.08737	1.9
307.09622	2.8
308.10446	2.3
309.11035	2.1
310.11966	2.2
311.09113	31.1
312.09680	4.7
313.07260	1.8
313.10608	14.0
315.08618	8.6
319.09775	1.9
320.10425	2.6
321.07547	4.1
321.11215	5.4
323.09366	2.3
323.12717	5.3
324.13385	1.3
325.10605	1.6
325.14291	23.2
327.08585	6.6
328.09384	3.9
336.09946	3.4
337.10635	5.3
338.11435	1.9
343.11761	100.0
344.12247	8.6
351.12256	13.1
352.13000	5.3
353.10056	2.3
353.13855	18.9
354.14227	1.4
355.15271	5.5
359.08960	2.4
368.12524	2.3
374.11176	2.3
375.08105	2.6
383.14850	47.6
384.15201	5.0
390.10858	2.5
405.13113	27.2
406.13272	2.3
422.09778	1.6
447.14328	3.4
465.15237	11.8
491.26624	1.4
527.08807	1.8
527.16760	37.4
528.17114	4.8
579.24744	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.7
56.64219	1.2
69.12859	5.2
69.13280	5.9
77.03926	1.9
81.07072	1.4
83.04997	1.5
91.05498	2.4
93.07055	1.7
95.04960	3.7
105.03392	56.3
105.04488	2.1
105.07012	1.8
139.79874	1.3
143.08560	1.2
144.37460	1.4
165.05475	4.3
165.07007	4.6
167.03389	3.1
167.07144	2.0
167.08580	2.0
179.07114	1.9
179.08504	3.0
181.06487	1.6
182.07324	8.4
188.08284	3.1
188.45082	1.2
194.07272	1.3
195.08017	3.0
197.09657	6.3
198.06937	1.3
199.07530	1.8
200.36192	1.5
203.10641	3.9
207.08128	1.6
210.06744	15.7
215.26697	1.3
218.07336	1.4
222.06827	3.7
223.07521	2.5
224.08224	1.5
225.05482	3.4
225.09079	34.8
226.06274	1.7
226.09537	2.4
227.07016	1.7
231.10129	2.6
233.09392	1.5
234.42870	1.4
235.07585	4.9
237.09326	1.8
238.06229	10.2
239.06921	2.8
240.07768	5.7
241.04910	2.4
241.08627	3.7
242.09245	3.1
243.06059	1.2
249.08910	2.2
251.07089	2.3
251.10637	2.8
251.49300	1.6
252.07797	4.5
253.08591	31.4
254.05795	4.7
254.09190	2.1
255.06473	2.8
255.10207	2.6
261.09067	1.9
263.06976	2.8
264.07587	2.1
264.64441	1.4
265.05017	1.6
265.08597	2.7
265.12149	2.6
266.05774	4.9
267.06561	3.7
267.10193	3.6
268.07181	8.5
269.08041	1.8
270.08926	3.2
277.08524	2.9
278.09341	3.9
279.10205	3.8
280.07224	3.9
280.10706	1.8
281.08078	56.2
282.05405	1.4
282.08563	5.4
283.09644	6.3
284.06729	3.1
285.03998	3.2
285.07675	2.1
285.11261	4.1
291.10132	2.2
292.10788	2.2
293.08121	3.2
293.11688	6.2
294.12424	1.5
295.09726	5.4
295.13007	1.7
296.06738	2.8
297.07465	4.0
298.08313	4.5
299.05508	1.8
299.09052	3.8
300.06323	4.8
301.07123	2.0
305.08127	1.8
307.09589	3.9
308.10471	2.3
309.10913	2.5
310.11914	1.7
311.09119	35.0
312.09824	5.2
313.07135	2.8
313.10574	14.6
315.08667	9.3
316.05743	1.4
320.10471	4.2
321.07675	2.6
321.11359	3.7
323.09161	2.6
323.12762	5.1
325.10767	2.1
325.14307	19.9
326.14920	2.3
327.08658	8.2
328.09448	5.2
336.09814	4.3
337.10666	4.2
343.11743	100.0
344.12088	8.3
351.12244	11.7
352.13019	5.0
353.10010	2.3
353.13858	18.6
354.14590	1.6
355.15479	4.4
359.09015	2.3
374.11206	2.4
375.08109	2.4
383.14880	48.2
384.15292	4.3
390.10791	3.0
405.13086	25.4
406.13367	2.3
422.10297	3.1
447.14362	3.2
465.15195	16.4
527.16803	35.5
528.17041	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2038
Annotation	8-(4-Hydroxybenzyl)-4',5-Dimethoxy-2,2',7,7'-tetrahydroxy-9,10-dihydro-[1'3-biphenanthrene]
Peak:m/z	Relative Intensity
58.73889	2.2
61.58451	2.2
68.34779	1.9
75.04504	2.3
96.84783	2.1
109.18523	2.4
114.01547	1.9
356.16373	2.4
424.14459	2.6
526.67926	2.6
587.20361	100.0
588.20673	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
60.31897	0.2
81.07041	0.3
91.05511	0.4
93.07060	0.3
103.05441	0.6
103.92343	0.2
109.10160	0.3
109.44643	0.2
121.06536	0.2
123.04443	0.8
130.28770	0.2
131.04895	1.4
137.05984	1.0
151.03928	0.7
163.07545	0.5
165.05470	0.2
175.03625	0.4
175.07445	0.2
177.05249	1.5
203.06726	0.3
221.07793	0.4
245.11653	0.3
257.04526	0.3
273.14819	0.7
303.08633	0.5
353.13544	0.2
371.14594	0.3
373.12598	0.4
387.14224	0.3
397.12445	0.8
399.14084	0.4
405.15366	1.0
415.13608	3.3
425.19601	0.5
433.14694	17.1
434.15030	1.2
509.17667	0.5
527.19080	0.3
569.19617	0.8
587.20923	100.0
588.21301	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2253
Annotation	CHEBI:67785
Peak:m/z	Relative Intensity
51.13358	0.3
55.46187	0.4
59.60086	0.3
67.05508	0.3
69.24215	2.4
71.67793	0.3
83.04962	0.3
85.68261	0.3
92.90710	0.3
94.50530	0.3
123.04448	1.1
129.44640	0.4
151.03914	1.5
161.05904	0.5
165.05455	0.5
174.56464	0.3
191.06961	0.3
205.08661	0.5
273.14914	1.3
280.56378	0.3
303.08704	2.1
425.19492	1.6
533.60626	0.4
587.22504	100.0
588.22778	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
70.57675	0.3
71.31281	0.4
74.09681	0.3
74.32602	0.3
93.07034	0.4
101.12583	0.3
105.06950	0.3
123.04475	0.3
137.06013	0.4
143.92227	0.4
151.03984	0.3
165.05611	0.3
186.87750	0.3
273.14917	0.5
354.92471	0.3
387.28473	0.3
471.16455	0.3
489.17822	0.7
497.24850	0.6
525.24591	2.1
526.25067	0.5
587.22467	100.0
588.22803	12.0
608.89404	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78076	0.3
64.96995	0.3
69.09462	0.7
69.09872	2.3
79.05473	0.3
80.05648	0.3
81.07053	0.6
81.39970	0.3
93.07035	0.6
94.13425	0.3
98.23349	0.8
107.04984	0.4
107.08617	0.6
109.02888	0.8
111.50712	0.3
119.04976	0.5
121.06516	0.4
123.04436	5.7
123.11756	0.8
126.41777	0.3
135.04428	1.3
135.11700	0.5
139.03932	0.9
147.04402	1.9
150.94731	0.3
151.03903	4.6
161.06027	0.8
162.14037	0.3
163.03928	0.8
165.05490	1.1
169.04971	0.5
181.04979	0.8
185.13414	0.3
191.07007	0.8
193.05040	1.3
199.69943	0.3
202.13589	0.4
205.08687	0.5
207.06587	1.1
215.07114	0.4
217.08794	0.9
255.13872	0.4
273.14804	2.4
285.07684	0.9
292.68430	0.3
303.08633	10.4
303.12146	0.7
304.08920	0.4
331.68243	0.4
343.11868	0.6
425.19519	4.2
426.20032	0.4
510.83286	0.3
587.22510	100.0
588.22736	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81148	0.3
66.74200	0.3
67.11661	0.3
67.14326	0.3
67.21184	0.3
69.16716	1.4
69.17144	1.1
93.07037	0.4
105.07024	0.4
115.71031	0.3
115.79234	0.4
137.06049	0.3
149.02083	0.3
163.07596	0.3
165.05501	0.3
181.04965	0.3
188.43799	0.3
191.06842	0.3
195.82072	0.3
229.75182	0.4
245.11661	0.4
257.04593	0.5
303.11688	0.4
339.19452	0.8
353.10202	0.4
379.18207	0.4
425.24915	0.5
435.21463	0.5
451.24817	0.3
455.20050	0.5
471.20047	0.5
477.22513	1.5
479.19965	2.7
489.21304	1.0
489.64896	0.3
495.23474	3.7
496.24255	0.4
497.21066	0.8
507.23700	1.7
513.24548	3.6
523.22900	2.5
525.24762	2.8
541.23871	3.0
543.25549	1.0
551.22461	0.5
569.23505	2.5
587.24524	100.0
588.24927	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2462
Annotation	Dihydrobuddlenol B
Peak:m/z	Relative Intensity
50.31918	0.1
52.51570	0.1
53.61559	0.1
55.05530	0.1
70.06383	0.4
74.69014	0.1
80.02395	0.5
86.06391	0.1
109.02652	0.2
119.08675	0.1
122.07018	0.1
143.08539	0.1
151.03839	0.1
152.04405	0.5
153.05280	0.2
179.06873	0.5
179.08267	0.1
198.83891	0.1
249.10962	1.8
250.11597	0.2
257.04361	0.1
273.15244	0.1
427.21722	0.1
475.25681	0.1
479.24088	0.4
497.25049	1.5
507.22897	0.5
511.23245	0.1
515.26160	0.3
523.22949	0.4
525.24579	2.0
526.24823	0.2
541.23987	1.4
542.24036	0.2
543.25677	1.4
551.22485	0.3
559.25250	1.0
560.25317	0.2
569.23651	2.6
570.23730	0.3
587.24536	100.0
588.24908	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2459
Annotation	Lancifodilactone J
Peak:m/z	Relative Intensity
50.04530	0.2
57.19509	0.2
69.00861	0.6
69.01281	2.1
72.21992	0.2
88.57517	0.2
98.22614	0.5
120.01860	0.5
121.06567	0.3
123.04388	0.3
137.05960	0.5
151.03868	0.4
167.07011	3.6
181.08646	0.4
211.09645	0.3
215.10422	0.4
215.21384	0.3
261.25232	0.3
281.15512	0.3
290.11255	0.5
309.14627	0.3
397.19846	0.5
433.23877	0.4
437.23013	0.4
443.20450	0.4
449.23154	0.6
454.23349	1.2
463.20987	0.7
465.22528	0.4
467.24005	0.8
475.20886	0.4
477.22717	0.8
481.21829	4.7
482.22156	0.5
483.23718	0.6
486.21957	0.3
489.21109	1.1
493.21841	1.3
495.23599	1.4
497.21234	0.5
511.23038	2.6
513.24353	2.1
514.24976	0.3
523.23169	0.3
525.24481	1.6
541.24158	4.2
542.24786	0.4
543.25586	0.7
559.24609	0.4
569.23627	2.8
587.24597	100.0
588.24896	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2462
Annotation	Lancifodilactone J
Peak:m/z	Relative Intensity
57.18650	0.2
58.63313	0.2
64.66470	0.2
65.50652	0.2
69.03425	0.3
69.71851	0.5
80.02373	0.3
109.02635	0.4
124.72736	0.2
127.03935	0.2
143.93398	0.3
152.04475	0.5
179.06796	0.5
249.11008	1.6
250.11824	0.3
353.09698	0.2
479.24344	0.5
497.25217	1.4
507.23380	0.4
515.25867	0.5
525.24744	2.3
526.25201	0.3
541.24017	1.2
543.25623	1.4
559.25146	0.8
569.23608	3.0
587.24481	100.0
588.24878	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90252	0.3
69.30328	0.5
69.30733	1.8
74.09740	0.4
81.07078	0.4
97.02908	0.3
101.88007	0.3
148.21310	0.4
166.46094	0.4
175.07449	0.4
228.11290	0.4
337.14331	0.6
427.21014	1.5
453.26248	0.5
477.84692	0.4
479.24323	1.1
481.25781	1.7
497.25143	4.5
498.25485	0.4
507.23538	4.7
509.21600	0.5
525.24585	23.0
526.25049	2.5
587.24231	100.0
588.24554	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
53.07289	0.6
55.01868	1.8
67.05499	2.8
69.07054	2.1
69.69350	1.4
69.69743	1.6
79.05486	2.3
81.03411	2.3
81.07064	5.2
83.04464	0.6
91.05463	3.5
93.07020	5.1
94.86198	0.6
95.04968	2.2
95.08588	1.9
97.02868	1.6
97.06524	1.6
97.32618	0.6
105.07004	1.3
107.04937	3.5
107.08586	4.3
109.02874	6.8
109.10139	2.3
111.04433	0.7
117.06994	1.0
119.04906	3.7
121.06496	2.9
121.10139	0.9
122.10982	0.9
123.04427	53.8
123.11708	7.7
124.04783	1.5
127.03911	0.8
133.08936	0.7
133.10004	0.8
135.04414	8.1
135.11685	4.1
137.02412	1.2
137.05978	2.0
139.03893	7.9
143.04935	1.3
143.08505	0.8
147.04411	14.5
149.06018	0.9
151.03902	35.1
152.04448	0.9
153.05496	3.4
161.05971	4.3
163.03889	5.0
163.07536	4.1
165.05492	11.6
165.06868	1.3
165.72269	0.6
169.04961	4.0
169.06413	1.4
171.08043	1.0
171.94025	0.7
173.06001	2.4
175.03922	1.6
175.07578	1.3
177.05516	1.3
179.03358	0.7
179.07019	2.6
181.04938	4.7
183.02917	1.0
187.07529	1.6
189.05522	3.0
191.07042	9.2
193.04980	13.3
193.08669	1.0
197.05969	1.2
199.07544	2.1
203.07094	0.7
205.08592	3.2
207.06528	6.5
211.07506	1.7
215.06999	3.9
217.08578	4.9
225.05353	1.2
232.67220	0.7
239.07114	1.3
243.06485	2.3
255.13774	3.7
257.08136	0.8
261.07590	0.7
267.06421	1.0
273.14850	28.9
274.15253	1.7
274.82388	0.7
285.07516	7.7
303.08621	100.0
304.08969	4.7
343.11716	1.9
369.13193	2.0
407.18253	1.0
425.19550	31.6
426.19705	2.5
587.19849	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97676	0.7
55.01864	1.9
56.43413	0.8
67.05466	2.3
69.03394	0.7
69.07040	1.4
69.13850	5.5
77.03882	0.8
79.05455	2.9
81.03387	2.1
81.07067	4.3
91.05499	3.2
93.07046	4.9
95.04960	1.7
95.08559	1.3
95.89256	0.6
97.02892	1.5
97.06523	1.7
103.32304	0.7
107.04967	3.6
107.08604	3.4
109.02863	5.9
109.10133	1.9
115.05401	0.7
117.07001	1.4
119.04919	4.2
119.08536	0.8
121.06506	3.3
123.04436	51.3
123.11707	8.1
124.04745	1.2
135.04422	9.7
135.11676	3.6
137.02309	1.4
137.05933	2.9
139.03882	9.0
143.08589	0.7
147.03346	1.1
147.04422	14.6
149.05977	1.3
151.03906	34.8
152.04312	1.7
153.05457	4.1
161.06000	3.7
163.03911	4.4
163.07547	4.4
165.05487	11.2
169.05078	4.0
169.06389	1.2
171.07982	0.9
173.05952	2.3
175.03862	1.8
175.07599	1.1
177.05475	1.3
179.07022	2.5
181.04926	2.8
181.06415	0.8
187.07506	1.5
189.05464	2.2
191.07040	9.1
193.04985	13.6
193.08580	1.0
197.05968	0.9
199.07574	1.2
203.07016	0.7
205.08574	2.4
207.06500	4.9
215.07094	3.6
217.08595	4.4
225.05423	0.8
239.07056	2.0
243.06572	2.3
249.07603	0.8
255.13759	3.6
257.08047	1.3
273.14853	24.2
285.07574	7.9
303.08633	100.0
304.08902	4.9
343.11783	2.7
357.13275	1.6
369.13382	1.4
417.11685	0.7
425.19617	26.0
426.20071	1.8
587.22534	44.1
587.31268	2.8
588.22894	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85126	0.2
55.01866	0.5
55.05515	1.1
57.03426	0.2
57.07072	1.0
65.78947	0.2
67.05503	2.0
69.07072	1.5
71.08618	0.9
71.30210	0.3
79.05499	1.4
81.07061	1.9
83.04993	0.2
83.08620	0.6
85.02895	0.5
85.10179	0.5
91.05479	1.1
93.07050	1.4
93.92984	0.2
95.04967	0.5
95.08595	2.0
95.64609	0.2
97.06551	0.3
97.10163	0.4
105.07028	1.8
107.08585	1.2
109.10154	0.8
113.52071	0.2
115.05457	0.3
115.52745	0.2
117.07012	0.6
119.08573	1.4
121.10125	0.9
123.11695	0.4
125.05952	0.3
128.06282	0.2
129.07007	0.2
130.07835	0.3
131.08580	1.2
133.06465	0.2
133.10149	1.1
135.11708	0.4
143.08546	0.5
145.10114	2.0
147.11713	1.1
149.09595	0.3
151.11288	0.3
153.06921	0.2
157.10095	0.4
158.07272	0.2
159.08063	0.5
159.11659	1.2
161.09694	0.2
161.13290	0.4
163.11198	0.4
165.07021	0.5
166.07726	0.2
167.08481	0.3
171.08049	0.3
171.11702	0.3
173.09642	0.7
173.13174	0.2
175.07623	0.2
175.14771	0.2
176.90944	0.2
178.07788	0.3
179.08481	0.4
179.14441	0.3
181.06480	0.4
181.10022	0.3
182.07318	0.3
183.07961	0.2
185.13190	0.3
187.07512	0.3
191.08597	0.5
191.82092	0.2
192.09326	0.8
193.10092	0.4
194.54828	0.2
195.08057	0.8
196.05025	0.3
196.08774	0.3
197.05974	0.7
197.09616	0.4
198.06631	0.2
199.14839	0.4
201.09090	1.6
201.16386	0.5
202.07996	0.4
202.09814	1.7
203.08560	0.3
203.17975	0.9
205.06496	0.5
205.10294	0.2
207.08105	0.4
207.11658	0.4
208.08766	0.4
209.05981	0.4
209.09653	1.5
210.06754	1.8
211.07526	1.4
211.11047	0.2
212.08189	0.4
213.05453	0.9
217.10104	0.4
219.08113	1.4
220.08801	1.9
221.05872	0.3
221.09593	1.7
222.06889	0.3
222.10426	0.4
223.07565	1.0
223.11128	0.7
224.08267	0.5
224.11966	0.4
225.05481	0.4
225.09090	0.8
226.06201	0.8
226.09984	0.3
227.07028	0.7
227.10741	0.2
228.07861	0.4
229.19673	0.3
231.08038	0.5
232.08833	0.6
233.05931	0.5
233.09546	1.1
234.06787	1.3
234.10422	0.8
235.07590	1.1
235.11174	3.4
236.08276	0.7
236.11876	0.8
237.09084	4.8
237.12813	0.5
238.06229	1.1
238.09758	0.8
239.07005	1.5
239.10681	0.6
240.07733	1.1
241.04996	1.0
241.08470	0.4
242.05690	0.7
243.06456	0.6
245.09702	0.3
247.07504	2.0
248.08296	3.8
249.09090	6.0
250.06143	0.9
250.09882	1.1
251.07030	1.3
251.10646	2.4
252.07756	0.4
252.11409	2.6
253.08762	1.0
253.12195	0.9
254.05733	0.4
254.09358	1.4
255.06520	0.9
255.10147	0.7
256.07318	1.9
257.04797	0.2
257.08014	0.7
257.19034	0.9
258.08713	0.3
259.20660	0.2
261.09088	1.5
262.06165	0.3
262.09879	1.0
263.07095	0.8
263.10666	6.5
264.07840	0.9
264.11404	2.4
265.08600	10.0
265.12097	1.4
266.06448	0.3
266.09305	2.4
266.12958	0.6
267.06516	1.0
267.10477	1.1
267.13687	1.5
268.07303	0.4
268.10724	0.2
269.04782	0.3
269.08200	0.3
269.11792	0.9
270.05173	0.4
270.08841	0.5
271.09637	1.6
275.20016	1.3
276.07730	0.5
277.08597	10.9
277.11868	0.5
277.21625	0.4
278.06064	0.2
278.09274	2.9
279.06561	0.8
279.10172	3.7
280.10919	8.9
281.08203	0.5
281.11646	3.7
282.08865	2.3
282.11935	0.3
283.06049	0.4
283.09607	0.9
284.06763	1.2
285.07529	1.1
285.10730	0.2
287.09082	0.5
290.09225	0.3
291.10025	1.7
292.10861	1.9
293.08060	3.7
293.11679	2.6
294.08801	2.2
294.12457	1.5
295.06281	0.4
295.09695	1.3
295.13229	9.5
296.06894	0.2
296.13870	1.5
297.11151	3.0
297.14429	0.5
298.11887	0.4
299.09158	2.0
300.09900	0.6
302.07974	0.3
306.12396	0.3
307.09622	1.2
308.10495	2.2
308.13803	0.4
309.11182	10.0
310.08359	0.4
310.11829	1.3
311.09027	0.7
311.12512	0.4
312.13431	0.5
313.10675	0.6
313.14078	0.4
313.27322	0.4
314.11526	0.3
317.10303	0.5
322.12192	0.7
323.12778	8.5
324.13522	7.3
325.10678	3.6
325.14270	1.9
326.11243	0.4
327.15866	1.1
331.11618	0.3
331.22333	0.3
339.12387	0.5
340.13068	3.5
341.13742	1.0
345.13513	0.4
353.10120	0.3
355.15381	100.0
356.15961	14.6
356.20612	0.3
357.16669	0.5
372.15668	0.3
387.17975	3.7
423.14697	0.2
587.30579	0.4
587.39520	0.4
587.47028	2.2
588.46857	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01871	1.0
57.19247	0.8
61.02917	1.0
67.05515	1.4
69.94712	2.0
70.06593	1.0
70.35433	0.8
75.10340	0.8
79.05506	4.6
79.51204	0.9
85.02893	1.8
86.94130	0.7
91.05500	3.6
93.07037	1.0
95.04933	1.4
101.30076	0.8
103.05468	4.9
105.07032	15.3
107.04980	3.6
109.06535	1.9
114.05534	1.0
118.04188	5.2
119.04991	3.9
119.05658	0.7
120.05692	1.5
121.06540	1.5
122.03641	1.1
122.07276	0.9
123.04454	1.1
123.08045	1.6
131.04945	5.8
133.02847	3.3
133.06493	15.3
135.04414	1.7
135.08051	2.9
137.05983	9.6
147.04402	3.9
149.05959	3.2
150.06781	11.0
151.07556	4.5
153.05501	2.5
155.44048	0.8
161.05966	2.4
162.06761	1.0
163.07556	10.1
165.05452	1.3
165.09120	11.6
166.09320	0.9
167.07048	10.9
179.07024	5.9
181.08652	1.4
193.08607	46.7
194.08968	2.4
195.10172	1.5
211.09653	100.0
212.10001	5.5
213.11179	1.7
229.14334	1.2
264.06061	0.7
308.22598	0.8
329.06396	1.1
347.43246	1.0
359.11316	1.2
361.16470	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
66.25454	0.7
70.41869	2.1
70.42203	1.0
79.05498	3.7
82.70215	0.8
85.02921	1.0
91.05492	6.1
93.07053	0.8
95.04974	1.0
97.02899	1.1
103.05476	5.1
105.03351	0.9
105.07032	16.6
107.04962	2.7
109.06541	1.0
115.05457	1.4
118.04141	4.4
119.04924	6.0
120.05714	1.2
121.06528	1.9
122.07319	0.8
123.04408	1.4
123.08067	1.7
124.05190	0.9
131.04922	9.1
133.02837	4.5
133.06494	16.8
135.04404	1.2
135.08064	3.2
137.05963	8.7
145.04872	1.0
147.04430	2.9
149.06023	3.5
150.06776	11.7
151.07582	3.8
161.06007	2.5
163.07512	9.8
163.33850	0.8
165.05511	1.6
165.09120	13.2
167.07051	10.7
178.06223	1.7
179.07024	5.5
193.08612	52.7
194.08972	1.6
195.10204	1.0
211.09654	100.0
212.10117	3.9
213.11246	2.0
341.13876	1.5
356.06812	0.8
361.16385	2.3
588.08685	1.4
588.26483	2.2
589.28052	2.3
592.30878	0.8
597.78455	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.4
55.05493	1.5
56.12345	1.1
57.03436	20.5
59.04989	3.3
61.02919	4.5
68.04624	1.2
69.03429	73.1
69.10947	11.2
71.01335	2.0
73.02919	18.5
75.04486	2.2
79.05518	1.4
81.03403	5.2
83.01344	1.9
83.04987	2.5
85.02901	52.4
87.03934	2.3
87.04466	47.8
91.03992	1.5
95.04978	1.7
97.02890	71.2
98.03223	1.5
98.10659	1.2
98.78372	1.3
99.04470	4.2
103.03949	2.2
109.02888	2.8
109.10151	1.9
111.04455	3.5
114.64177	1.2
115.03930	83.4
116.04276	2.2
117.05471	1.3
123.04420	3.6
127.03900	13.6
133.04964	100.0
134.05313	2.2
137.05968	2.1
139.03883	5.0
143.03377	1.7
144.01689	1.2
145.04951	10.6
149.04456	2.0
150.07608	5.2
151.03856	2.1
153.05406	1.6
157.04958	9.1
163.06032	4.7
165.05498	4.7
169.04913	2.1
175.06050	3.8
181.04936	1.5
187.05933	1.8
193.04974	2.3
211.06041	7.0
217.06981	2.1
223.06068	2.4
229.07077	20.0
241.07062	3.3
247.08130	10.7
259.08002	4.3
265.09244	12.4
289.16476	1.7
294.17575	2.7
295.10214	2.1
301.08987	2.4
302.09219	3.7
312.13080	1.8
588.14380	7.8
588.26794	6.8
589.26111	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.4
55.05493	1.5
56.12345	1.1
57.03436	20.5
59.04989	3.3
61.02919	4.5
68.04624	1.2
69.03429	73.1
69.10947	11.2
71.01335	2.0
73.02919	18.5
75.04486	2.2
79.05518	1.4
81.03403	5.2
83.01344	1.9
83.04987	2.5
85.02901	52.4
87.03934	2.3
87.04466	47.8
91.03992	1.5
95.04978	1.7
97.02890	71.2
98.03223	1.5
98.10659	1.2
98.78372	1.3
99.04470	4.2
103.03949	2.2
109.02888	2.8
109.10151	1.9
111.04455	3.5
114.64177	1.2
115.03930	83.4
116.04276	2.2
117.05471	1.3
123.04420	3.6
127.03900	13.6
133.04964	100.0
134.05313	2.2
137.05968	2.1
139.03883	5.0
143.03377	1.7
144.01689	1.2
145.04951	10.6
149.04456	2.0
150.07608	5.2
151.03856	2.1
153.05406	1.6
157.04958	9.1
163.06032	4.7
165.05498	4.7
169.04913	2.1
175.06050	3.8
181.04936	1.5
187.05933	1.8
193.04974	2.3
211.06041	7.0
217.06981	2.1
223.06068	2.4
229.07077	20.0
241.07062	3.3
247.08130	10.7
259.08002	4.3
265.09244	12.4
289.16476	1.7
294.17575	2.7
295.10214	2.1
301.08987	2.4
302.09219	3.7
312.13080	1.8
588.14380	7.8
588.26794	6.8
589.26111	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76478	0.5
55.05485	0.6
67.05499	1.2
67.07047	0.5
69.07085	0.5
71.30177	0.5
71.30544	0.6
79.05493	0.8
81.07069	1.3
88.39913	0.4
91.05466	0.8
105.07062	0.9
107.08594	0.8
108.24683	0.5
109.10168	0.8
119.08666	0.6
121.10204	0.7
133.10049	0.6
145.10094	0.8
159.11595	0.6
165.06946	0.6
195.08014	0.8
201.09061	1.3
202.09926	1.8
207.11632	0.6
207.21980	0.5
209.09615	0.8
210.06677	0.8
211.07487	1.4
212.08403	0.6
219.08154	0.5
220.08876	1.5
221.09601	1.3
226.06073	0.7
229.08669	0.6
233.09639	0.5
234.10301	0.6
235.11145	2.5
237.09088	3.3
238.06140	0.8
238.09779	0.7
239.07162	0.9
239.10608	0.5
240.07796	1.3
241.04845	0.8
247.07594	0.9
248.08315	3.3
249.09076	4.7
250.06203	0.8
250.09749	0.8
251.10690	1.8
252.11469	1.4
253.08612	0.9
254.09273	1.2
255.06474	0.8
256.07330	1.6
257.07843	1.1
261.09137	1.2
262.10010	0.7
263.07053	0.9
263.10703	7.3
264.11493	2.9
265.08612	8.4
265.11682	1.0
266.05798	0.6
266.09348	2.0
267.06384	0.6
267.13855	2.1
269.11664	0.7
271.09628	0.8
276.07770	0.6
277.08554	7.7
278.09293	1.7
279.07123	0.5
279.10150	2.7
280.10910	8.7
281.11636	3.2
282.08850	1.6
283.06302	0.5
284.06854	1.2
285.07581	1.4
285.10971	0.8
287.09338	0.6
291.10141	1.8
292.10983	1.6
293.07986	2.8
293.11639	1.9
294.08832	1.7
294.12338	1.0
295.09995	1.1
295.13263	9.2
296.14020	0.8
297.11060	2.4
299.09180	2.7
300.10062	0.7
307.09579	1.0
308.10510	1.6
309.11206	8.9
310.11670	1.1
311.09048	0.7
313.10843	0.8
323.12677	7.9
324.13556	8.8
325.10706	3.1
325.14163	2.0
327.16022	0.8
331.11865	0.8
340.13150	3.9
355.15390	100.0
356.15964	13.2
387.18039	12.3
387.23041	0.9
388.18298	0.7
405.88196	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30020	0.3
71.30445	0.4
88.95672	0.3
105.07028	0.3
123.04443	0.4
137.06030	0.6
139.03915	0.5
173.70779	0.3
185.04243	1.0
250.73801	0.4
257.04498	0.5
323.90057	0.3
427.13446	0.9
574.16754	0.4
589.18866	100.0
590.19183	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38672	0.2
53.03940	0.6
55.01866	0.5
65.03931	0.3
66.04723	0.6
67.05512	0.3
78.08808	0.3
78.97990	0.2
79.05495	1.0
81.07037	0.5
89.03934	0.6
91.05479	4.6
93.07007	0.4
94.04190	2.6
95.04967	0.7
101.53686	0.3
103.05465	2.5
105.03358	0.3
105.07030	2.3
107.04956	7.9
109.06526	0.6
115.05454	4.8
116.06292	0.3
117.03377	1.1
117.07017	1.8
118.04156	1.6
119.04945	2.6
119.08600	0.5
121.06500	3.1
122.03643	4.6
123.08028	0.4
128.06236	0.8
129.07028	2.2
131.04933	3.1
131.08553	0.9
132.05713	0.7
133.06505	2.0
134.03574	0.6
135.04439	0.4
135.08072	2.5
137.05972	51.3
138.06299	1.2
141.03407	0.4
141.06981	0.9
143.04942	2.7
144.05682	0.8
145.02872	1.4
145.06471	1.3
146.03624	13.8
146.07207	0.3
147.04346	1.3
147.08043	0.9
149.05960	3.7
149.09674	0.5
151.03958	1.6
151.07530	5.9
155.05975	0.3
157.06456	2.1
158.07297	0.6
159.04411	0.8
159.08044	0.9
160.05186	4.0
161.05972	33.7
161.09624	2.4
162.03163	0.4
162.06406	1.4
163.07538	7.3
165.07013	2.3
166.07779	1.2
167.08525	0.5
169.06494	1.5
170.07268	0.4
173.06004	0.8
173.09634	0.9
174.03136	2.0
174.06750	2.7
175.07538	13.9
176.07964	0.3
177.05460	4.8
177.07005	0.7
177.09105	8.0
178.07762	1.2
178.09271	0.6
179.07025	0.8
179.08557	1.0
181.06422	0.4
182.07285	0.4
183.08014	0.6
186.03131	0.9
187.03906	0.6
187.07570	0.8
188.04623	0.3
189.05458	100.0
189.09038	10.4
190.02589	1.3
190.05786	4.0
190.07709	1.3
191.06998	0.5
191.08546	1.0
192.09410	0.4
193.06476	1.2
193.10144	0.8
194.07277	3.8
195.08017	1.0
196.08762	0.4
197.09506	0.5
201.05379	6.2
201.09070	2.7
202.07753	0.4
203.07007	4.7
203.08662	0.8
205.04924	13.1
205.06526	1.1
205.10066	1.8
206.05315	0.5
206.07205	0.4
207.06366	2.1
207.08308	1.4
208.08820	0.9
209.05992	0.6
209.09612	1.0
210.06772	1.0
211.07544	1.1
215.08707	0.6
218.07269	1.3
219.06436	1.1
219.08087	1.3
219.10179	1.5
220.08643	0.5
221.06041	2.4
221.09596	2.5
222.06772	3.1
222.10252	0.6
223.07532	0.8
223.11115	1.6
224.08330	1.2
225.09111	1.4
226.06117	0.4
229.04945	2.3
231.06334	1.8
232.08818	0.5
233.05988	0.7
233.09615	3.4
234.06778	0.7
234.10170	0.7
235.07553	2.2
236.08197	1.2
237.09070	3.6
238.09752	0.5
239.06989	1.0
239.10638	0.9
240.07764	0.7
241.08647	0.6
247.05986	24.1
248.06203	1.3
249.05528	0.3
249.09140	1.3
250.06303	1.0
250.09789	1.3
251.06870	0.6
251.10591	1.6
252.07701	0.9
253.08658	2.0
253.12132	2.6
254.09285	0.9
255.06509	0.6
261.09116	2.4
262.09564	0.3
263.07104	0.6
263.10504	0.4
264.07672	0.9
265.08560	7.5
265.12128	2.0
266.09106	0.6
267.06662	0.4
267.10123	2.2
268.07330	2.0
268.09973	0.5
269.08032	1.8
270.08801	0.7
271.09470	0.5
272.10477	0.4
277.08591	0.7
278.09534	1.4
279.10123	2.3
280.10980	0.4
281.08008	1.0
281.11627	1.3
282.08862	2.3
282.11844	0.5
283.09586	3.5
283.13211	2.7
284.10373	1.4
285.11133	1.4
291.10114	0.9
293.08490	0.6
293.11713	8.1
294.12201	0.9
295.09698	1.7
296.10394	0.4
297.11267	9.4
297.14716	1.6
298.11667	0.8
299.12738	0.9
309.11267	2.1
310.11923	1.4
311.09308	0.5
311.12738	4.8
313.14316	6.6
315.12234	5.0
323.12787	1.7
325.14316	12.2
326.14566	1.3
341.13745	2.0
343.15402	11.0
344.15665	0.9
369.13348	1.0
409.24225	0.3
435.14383	0.5
543.19672	0.4
571.19427	2.4
589.20667	2.3
593.66577	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32481	0.2
69.16620	0.4
69.17020	1.0
87.81552	0.2
99.98892	0.2
100.60506	0.2
122.60452	0.2
138.05502	0.5
139.36931	0.2
144.19547	0.2
154.22714	0.2
157.76129	0.2
185.04228	0.3
238.09499	0.2
355.15298	0.3
381.13156	0.5
387.18060	0.5
390.18976	0.2
393.13095	0.2
397.12759	0.2
409.16391	0.2
411.14047	4.1
412.14813	0.7
413.15817	0.2
427.17258	3.5
543.18445	2.4
571.21326	0.3
574.20441	0.3
589.22516	100.0
590.22968	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2616
Annotation	Humilinolide A
Peak:m/z	Relative Intensity
54.12597	0.3
62.10004	0.3
68.22469	0.3
69.03438	0.5
71.31890	0.5
79.05541	0.7
81.07059	1.7
91.05523	0.3
95.08643	0.4
105.07066	0.5
109.06548	0.6
115.57143	0.4
126.55120	0.3
128.58907	0.4
137.05968	3.1
151.03983	0.4
152.04539	0.3
167.07213	0.4
176.47926	0.4
200.74687	0.4
275.16513	0.5
341.10757	0.4
355.15607	0.5
388.18130	0.4
435.21701	0.5
439.24872	0.5
441.22763	0.7
453.22800	0.4
454.40024	0.4
479.24020	1.0
483.23853	1.1
491.23303	1.1
497.25281	2.6
507.23932	0.7
509.25128	2.5
511.23529	0.5
525.24689	1.5
527.26367	4.3
528.26868	0.5
543.25629	2.1
545.27301	1.1
553.24274	0.9
571.25250	5.2
589.26331	100.0
590.26733	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.262
Annotation	Unknow
Peak:m/z	Relative Intensity
65.02998	0.4
71.31197	0.5
81.07076	0.6
83.78297	0.4
94.31590	0.4
95.08654	0.4
137.05997	0.7
176.39806	0.5
180.07576	0.5
202.66148	0.5
249.27534	0.4
428.20529	0.7
456.24823	0.9
465.22342	1.1
469.25513	1.1
479.24078	1.2
483.23654	4.1
495.23669	1.8
497.24896	2.4
507.59525	0.5
513.24408	2.2
515.26184	2.0
516.26678	0.7
527.25842	2.1
543.25641	4.4
553.23822	0.5
571.25287	3.3
589.26215	100.0
590.26532	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35966	0.4
54.47281	0.4
55.01861	0.5
55.05518	3.4
57.07056	1.7
62.04906	0.5
65.03915	0.5
67.05190	0.4
67.05506	7.7
69.07067	5.2
70.31506	0.4
71.08607	0.8
71.31362	0.5
71.31768	0.7
73.48753	0.4
79.05485	3.8
81.07060	9.9
81.60695	0.5
83.08614	3.0
85.06518	0.5
91.05479	6.8
93.06484	0.5
93.07050	7.8
95.05009	0.6
95.08607	14.8
97.10139	0.7
105.07029	21.8
106.07335	0.6
107.08594	8.8
109.10154	16.3
115.05412	0.5
117.07004	1.7
119.08575	21.5
121.10142	7.1
123.11698	6.0
131.08548	3.0
133.10138	13.5
135.11703	2.5
137.13274	0.8
141.07152	0.5
145.06409	0.8
145.10118	4.3
147.11682	23.3
148.12022	0.9
149.13228	2.6
151.19189	0.4
156.36095	0.5
159.11682	2.7
160.12479	1.0
161.13258	10.0
165.05547	0.7
165.06999	1.4
173.13364	0.5
174.06752	0.9
175.14792	3.0
177.05388	0.8
177.06918	0.5
177.16339	0.6
179.08531	1.4
179.14267	1.0
182.07298	0.9
183.08055	0.7
189.16347	0.9
192.05756	0.6
193.06499	1.1
195.08046	1.2
196.08780	1.0
197.05991	0.9
197.09630	1.2
201.16391	3.1
202.16869	0.6
203.17949	100.0
204.07803	2.9
204.18315	5.4
205.19444	1.1
207.08078	2.0
208.08783	0.7
210.06744	1.9
211.07512	1.4
211.11127	0.7
221.05945	4.3
224.08258	2.4
225.05479	0.6
225.09132	4.6
226.09821	0.7
227.06848	0.9
234.06900	0.8
235.07587	3.0
236.08099	0.8
237.05460	0.7
237.09088	1.4
238.06157	2.7
239.07010	1.7
239.10704	3.1
240.07881	0.7
243.06529	0.6
247.07535	0.6
249.05563	2.9
249.08978	0.8
250.06209	1.3
251.06999	2.4
252.07678	2.5
253.05795	0.7
253.08563	7.9
254.05804	1.1
254.09294	1.5
255.06543	1.5
255.10075	0.8
256.07187	0.5
263.07019	1.9
264.07870	0.9
265.04825	0.6
265.08572	1.5
266.05740	2.3
266.09329	1.9
267.06534	1.9
267.10153	5.0
268.07379	2.8
269.08124	1.4
270.08838	1.9
271.06223	0.6
271.09433	0.6
277.08578	0.7
277.21457	0.6
279.06537	1.9
279.10059	1.0
280.07294	1.4
281.08081	15.6
282.08789	4.1
283.06027	1.9
283.09622	6.0
285.08109	0.9
285.11249	3.1
291.10153	0.9
293.08130	1.3
294.08691	1.6
295.06024	2.4
295.09592	3.6
296.06793	1.2
296.10120	0.6
297.07840	1.0
297.11182	3.1
298.08304	2.3
299.05481	1.8
301.07086	2.7
303.10303	0.7
307.06372	0.5
307.09708	2.1
309.07785	1.1
309.10944	1.1
310.08279	2.0
311.05527	1.2
311.09079	14.8
311.12698	0.7
312.09583	2.3
313.07108	2.1
313.10690	8.9
314.07724	3.7
314.10995	0.7
315.08658	2.1
319.09390	0.7
321.07574	0.6
321.11176	0.9
322.08438	1.1
325.10672	20.2
326.07803	1.0
326.11191	1.1
327.08633	1.7
328.09439	5.5
331.09561	1.0
332.10333	0.7
333.11002	1.1
335.09186	1.4
335.12723	0.8
336.09827	1.6
337.10568	0.9
339.12418	1.7
341.10226	8.6
341.14117	1.1
343.11755	44.0
344.12024	3.6
347.12875	0.7
348.09637	0.7
349.10623	1.6
350.11459	1.0
351.12244	0.9
353.10129	1.6
363.12320	2.4
365.13831	1.6
367.11682	4.6
369.13239	1.1
377.13669	0.8
379.11517	0.6
385.12820	20.1
386.13205	2.1
399.14206	3.1
407.14856	6.8
413.16022	3.4
437.16028	5.4
465.19153	0.8
491.37143	2.1
539.27893	1.1
557.28967	4.4
576.42426	0.5
589.31531	25.4
589.46893	1.1
590.32025	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.05504	2.7
57.03429	1.5
57.07075	4.6
65.69890	0.7
67.05509	9.5
69.07069	2.6
69.70450	1.4
69.70860	2.3
71.08636	4.1
79.05492	3.6
81.03419	1.5
81.07056	8.3
83.04987	0.7
83.08614	2.0
85.10152	1.8
91.05479	5.1
93.07043	5.5
95.04978	1.4
95.08607	38.6
97.10171	1.4
98.23368	1.4
99.08101	0.9
100.24064	0.6
105.07027	7.7
107.08614	4.3
109.10153	5.4
117.03372	1.7
117.07058	0.8
119.08588	5.9
121.10136	4.5
123.08141	0.9
123.11697	1.5
131.08551	1.7
133.10118	5.7
135.11682	2.5
139.07524	0.7
145.02908	4.5
145.10147	2.1
147.11665	7.6
149.13266	1.0
151.11038	1.0
159.08058	0.9
159.11655	1.3
161.13269	4.8
167.07069	1.5
175.14845	1.0
177.05490	12.0
179.14330	1.9
185.13300	0.9
197.05888	1.5
203.17958	100.0
204.18304	3.5
211.07495	1.9
213.05591	0.9
220.08844	1.0
225.09081	2.3
227.07083	1.1
237.09091	1.5
239.07072	2.2
241.04936	1.1
241.19518	3.0
243.06638	1.3
247.07587	1.1
249.09099	1.1
251.10670	0.8
252.07820	1.2
253.04971	1.3
253.08588	2.3
254.05992	0.7
254.09315	1.0
255.06511	1.5
256.07278	1.8
257.07959	1.0
259.20551	6.3
262.28134	0.8
263.10666	1.6
265.08582	2.2
266.05728	0.8
266.08807	0.9
267.06601	3.4
267.10287	1.1
267.16061	1.9
269.08041	0.9
270.08823	1.0
271.06424	0.9
271.09476	1.7
272.06775	1.3
277.08499	1.2
277.21637	2.6
279.10074	1.4
280.10852	1.9
281.08096	3.1
281.11676	2.9
284.06812	2.6
285.07513	3.5
285.10959	1.5
286.08322	1.0
287.05545	1.6
287.09106	1.2
288.06415	1.0
289.07104	1.4
291.10159	2.0
292.10803	1.1
293.08060	1.5
293.11545	1.0
295.09949	0.8
295.13324	4.9
296.13742	0.9
297.07892	0.8
297.11154	1.5
298.08331	1.3
298.11832	0.8
299.09198	5.4
300.09830	1.0
301.07129	0.8
302.07941	1.2
303.08618	2.7
304.09415	5.3
306.12604	0.8
308.10553	1.5
309.11176	4.6
311.09451	0.9
311.12665	1.0
312.13605	1.6
313.10693	6.3
313.27371	7.7
316.09253	2.1
317.10144	2.5
318.10999	5.9
319.11652	1.4
321.37216	0.8
323.12775	8.7
324.13385	3.8
325.10751	2.1
327.15976	2.4
331.11783	5.6
333.24271	2.7
340.13080	1.7
341.13846	2.8
345.13345	6.0
355.15390	22.0
356.16083	7.7
357.13254	1.3
372.15591	2.3
385.16025	0.9
387.18018	47.2
388.18344	2.7
431.63065	0.9
589.33807	4.5
589.48151	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.05506	3.7
57.07079	5.6
67.05503	9.4
69.03388	0.7
69.07068	4.9
71.08630	4.5
72.98753	0.8
74.91544	0.6
79.05481	5.8
79.14179	0.6
79.28713	0.7
81.03420	0.8
81.07050	10.2
83.08611	2.6
85.10158	1.3
88.51270	0.6
91.04968	0.9
91.05490	8.1
93.07043	6.3
95.04966	1.8
95.08603	15.3
97.06500	0.7
97.10178	1.7
99.08093	0.7
100.09718	0.7
103.17173	0.6
105.07026	31.7
107.08594	5.7
109.10159	5.1
117.03380	0.8
117.07024	1.6
119.08572	16.3
121.10136	13.2
121.65285	0.7
123.11689	1.4
131.08553	2.7
133.10121	15.3
134.10338	0.7
135.11682	3.9
137.05962	2.6
137.13271	0.8
143.08527	0.7
145.02817	1.2
145.03821	0.7
145.10103	4.0
147.11682	22.9
149.13242	1.0
151.11177	1.6
159.11679	3.9
160.12506	1.0
161.13254	27.4
162.13615	1.5
163.11157	0.8
173.13164	1.2
175.14812	2.8
177.05450	2.8
179.14288	3.3
185.13249	0.9
189.16301	1.2
197.06061	1.6
201.16365	1.5
203.17946	100.0
204.18306	5.0
204.87384	0.9
211.07550	1.8
212.08412	0.9
213.05414	6.8
214.06158	2.3
225.05492	1.5
227.06996	3.0
228.04224	1.5
228.07610	1.0
238.06163	1.0
239.06992	1.7
240.07761	3.7
241.05023	1.2
241.08591	1.6
241.19441	1.6
242.05748	5.5
243.06366	0.9
252.07961	0.8
253.08531	1.0
255.06557	2.3
256.07281	1.8
257.08066	25.4
258.08386	1.0
259.20493	3.5
265.08472	1.8
267.06400	0.8
267.10065	1.1
269.04437	1.7
269.11746	1.2
271.05997	2.7
271.09583	2.2
277.17999	2.1
277.21594	5.2
279.10162	1.0
281.11731	5.7
281.21881	0.6
283.09393	0.9
284.06827	1.0
285.07513	1.8
286.08029	0.8
287.08957	0.8
294.12222	1.4
295.13358	1.0
296.14020	13.3
296.17191	1.1
297.11224	1.6
299.09085	1.0
309.11346	0.9
312.13455	3.7
313.27255	3.5
324.13599	1.1
325.10495	3.2
325.14084	0.9
326.14893	1.1
327.16113	1.6
333.24292	1.5
340.12979	4.6
341.13754	1.7
355.15381	71.0
356.15619	4.8
387.17960	6.5
589.34186	3.5
589.48468	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35456	0.1
51.02386	0.2
53.03948	0.3
54.59890	0.1
55.01884	0.4
55.05511	2.4
56.07622	0.1
57.03436	0.8
57.07078	1.9
58.49807	0.1
63.02403	0.6
65.03948	0.2
67.05506	2.6
69.03956	0.7
69.04379	0.6
69.07071	2.8
69.42288	0.1
70.19314	0.2
70.66502	0.1
71.08626	2.0
73.40276	0.1
77.03909	0.1
78.04731	0.2
79.05492	1.5
81.03437	0.3
81.07059	2.8
83.05006	0.3
83.08617	1.6
85.06573	0.1
85.10200	0.5
89.03918	6.5
90.04279	0.2
91.05481	1.6
93.07043	1.9
95.04963	0.4
95.08611	2.5
97.06553	0.3
97.10176	1.0
98.23379	0.3
99.08111	0.5
103.05464	0.3
105.03356	0.2
105.07034	1.1
106.04189	0.4
107.04960	0.2
107.08604	1.4
109.10154	1.3
111.08089	0.1
111.11703	0.3
113.09675	0.2
117.03381	16.6
117.07000	0.2
118.03725	0.4
119.08578	0.9
121.06444	0.2
121.10130	1.1
123.11704	0.4
124.05177	0.2
125.06054	0.2
125.09578	0.2
133.10117	0.5
134.03638	1.7
135.04416	1.3
135.11688	1.1
137.06012	0.3
141.09047	0.2
143.08556	0.2
145.02850	39.8
145.10071	0.2
146.03181	1.2
147.11707	0.6
149.05986	5.2
149.13252	0.3
150.06319	0.2
151.11203	0.4
157.10144	0.2
158.06021	0.3
159.11691	0.3
161.13242	0.5
162.03156	0.4
163.03918	1.2
163.11221	0.2
167.14290	0.1
177.05467	100.0
178.05815	3.0
179.14311	2.4
180.14510	0.2
181.08740	0.2
186.05505	1.8
195.06505	1.4
201.16389	0.2
203.18018	0.8
241.19621	0.2
244.07190	0.1
251.09088	0.4
253.14172	0.2
259.20624	0.2
277.21643	1.7
299.08807	0.2
313.27356	0.1
346.70694	0.1
355.15244	0.5
356.15732	0.6
357.15860	0.4
387.17978	0.5
395.34967	0.2
571.98938	0.2
589.40344	3.0
589.48138	1.6
590.40637	0.3
590.48700	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
53.82432	1.0
55.01873	2.9
55.05509	29.8
57.03437	16.9
57.07075	67.2
65.03922	3.6
67.05504	58.9
67.05792	1.0
67.05875	1.3
68.05827	1.4
69.07065	26.3
69.08244	9.6
71.04990	3.3
71.08630	44.1
77.03909	1.6
79.05490	48.7
80.05824	1.5
81.03408	1.6
81.07054	65.0
82.07395	1.3
83.04970	3.4
83.08621	22.2
85.06523	2.2
85.10181	20.9
89.06034	3.1
91.05479	68.3
92.05788	1.6
93.07041	59.2
95.04964	6.4
95.08605	59.7
96.08946	1.2
97.06513	3.2
97.10155	9.5
99.08086	4.5
99.11727	1.3
103.05465	2.1
105.04558	1.4
105.07027	80.4
106.07358	2.0
107.04918	1.8
107.07859	1.6
107.08592	32.1
109.06518	2.4
109.10144	24.1
111.08089	2.4
111.09380	1.2
111.11710	1.6
113.09615	1.7
115.05453	2.0
117.07030	18.7
119.08575	67.4
120.08922	1.6
121.10138	24.9
123.08058	2.2
123.11701	7.1
125.09644	1.8
125.13237	1.9
128.06175	2.6
129.05481	1.4
129.06990	11.4
131.08560	29.5
133.10121	53.3
135.06956	1.2
135.07996	2.3
135.11693	25.5
137.13246	2.4
143.08586	11.6
145.10117	21.9
147.11681	56.7
148.12053	1.8
149.13243	13.0
151.11238	2.6
157.10127	9.3
159.08272	1.1
159.11684	21.8
161.09599	1.5
161.13255	41.9
162.13554	1.5
163.11209	4.6
163.14844	3.9
165.12735	1.3
171.11694	15.2
173.13242	14.1
175.11079	1.7
175.14796	19.5
175.24431	1.1
179.14301	4.1
185.13231	14.1
187.14807	4.9
189.12788	1.7
189.16402	2.5
191.14320	1.5
199.14792	8.4
201.16373	2.5
203.14381	1.6
203.18037	1.4
213.16400	2.4
215.18021	1.5
217.19536	1.7
218.80539	1.1
231.17419	2.0
231.21063	10.7
239.23703	5.7
241.19484	40.1
243.20992	1.3
257.24844	3.0
259.20569	96.6
260.20981	6.0
277.21527	5.8
313.27341	100.0
314.27881	5.8
314.51956	1.1
315.23016	6.3
333.24213	47.2
334.24496	2.9
349.23880	1.6
497.43646	1.7
542.41650	1.3
571.47125	9.9
589.48242	17.3
590.48035	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82303	2.0
53.03946	3.6
55.01888	1.9
55.05516	21.2
56.16930	1.9
56.43389	1.8
57.03445	10.4
57.07077	53.4
61.03359	1.8
65.03933	4.2
67.05504	50.9
69.07076	21.0
69.81281	1.7
71.08630	36.4
78.75674	1.7
79.05090	1.7
79.05494	41.4
81.07057	55.8
83.08617	17.4
85.10178	17.2
89.06042	2.4
91.05477	53.4
93.07049	42.5
95.04970	5.9
95.08607	52.6
95.09074	1.2
97.06531	4.1
97.10171	6.7
97.78656	1.8
99.08083	4.7
105.07028	56.8
107.08588	25.8
109.10142	22.5
111.08144	2.1
113.09608	2.1
117.06994	15.0
118.95316	1.7
119.08579	52.9
119.09445	2.9
121.10149	17.0
123.11706	6.2
126.12158	1.7
128.06200	2.3
129.06998	9.2
131.08577	22.5
132.08824	2.5
133.10121	41.1
135.11687	21.8
137.05997	2.6
137.13266	4.5
143.08545	5.6
145.10136	21.9
147.11700	43.4
149.09506	2.7
149.13245	11.9
151.11299	2.3
157.10168	9.3
159.11710	17.3
161.13258	36.9
163.11191	3.3
171.11751	13.4
173.13269	10.4
173.68501	2.2
175.14804	13.6
177.12732	2.9
185.13269	11.1
187.14874	4.8
189.12694	2.2
199.14870	4.4
213.16301	2.9
231.17435	2.2
231.21045	10.1
239.23695	5.1
241.19495	42.5
242.19852	2.2
259.20572	100.0
260.20963	4.4
277.18127	2.3
277.21585	4.9
293.09317	2.7
313.27350	96.2
314.27573	4.4
315.23129	5.5
333.24231	52.6
334.24484	2.8
351.25162	2.6
436.86441	2.0
497.43399	2.5
571.47021	8.1
589.48431	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.8
53.03939	2.3
55.01865	1.1
55.05512	16.0
57.03438	10.9
57.07076	39.5
58.07406	0.9
63.49719	0.9
64.00549	0.7
65.03920	2.7
67.05505	34.7
69.00629	8.6
69.03420	0.9
69.07069	14.8
71.04984	2.2
71.08632	27.5
77.03911	1.1
79.05492	29.1
81.03429	4.3
81.07056	40.1
82.07399	1.2
83.04977	1.6
83.08614	15.2
85.06541	3.2
85.10175	15.4
89.06004	1.9
91.05479	42.7
91.75323	0.9
92.05817	2.0
93.07041	33.1
95.04977	4.2
95.08603	39.0
95.58051	0.8
96.80831	0.8
97.06526	1.9
97.10169	6.7
99.08088	3.4
99.11726	1.0
103.05474	2.2
103.07568	1.0
105.04524	1.2
105.07030	43.7
105.22633	0.8
106.07375	0.9
107.08590	20.2
108.08871	0.8
109.06542	0.9
109.10155	15.8
111.08064	1.0
111.11702	2.3
113.09661	1.2
113.86093	0.8
115.05449	1.7
117.07011	9.5
117.09091	0.9
119.08579	41.1
120.08900	1.4
121.10138	15.4
123.08022	1.3
123.11707	4.3
125.09684	1.2
128.06227	1.3
129.05502	1.0
129.06996	6.5
131.08572	19.2
133.10130	37.4
134.10457	1.3
135.08041	1.7
135.11696	13.4
137.09645	1.4
137.13263	2.8
142.07762	1.3
143.08582	6.1
145.10117	18.1
147.08093	1.6
147.11685	40.5
148.12106	1.2
149.09602	1.9
149.13257	9.3
151.11195	1.1
157.10143	7.5
159.11694	15.4
161.09593	1.1
161.13254	34.5
163.11092	2.1
163.14825	3.6
171.11696	11.7
173.13239	9.5
175.11104	1.8
175.14828	14.2
177.05466	2.0
177.12790	1.2
185.13251	9.5
187.14787	3.0
189.12796	1.4
189.16336	1.5
191.56657	0.9
193.12285	1.4
199.14824	7.2
201.16293	1.7
203.14297	1.0
213.16414	2.7
215.17935	1.7
217.19450	2.5
231.17528	1.3
231.21069	8.5
239.23634	5.4
241.19510	38.3
242.19786	1.9
243.21069	1.2
251.33618	0.8
257.18994	1.0
257.24771	1.6
259.20572	81.7
260.20923	5.4
267.15887	6.8
275.20154	1.3
277.21591	3.3
313.27347	100.0
314.27698	6.4
315.23236	5.3
333.24234	45.4
334.24490	2.3
351.25168	1.6
497.43497	2.2
505.38849	5.5
571.46967	6.5
572.47516	1.2
589.48260	10.7
590.48151	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.01879	3.0
55.05513	20.1
57.03439	12.1
57.07077	55.5
58.07401	2.0
67.05504	51.4
69.07067	20.8
71.04987	1.9
71.08629	38.4
72.08975	1.9
79.05492	41.3
81.03422	4.7
81.07055	64.4
83.08608	20.1
85.06553	3.5
85.10184	19.8
91.05480	49.6
93.07041	42.9
95.04970	5.8
95.08607	53.7
96.08932	3.0
97.06553	2.3
97.10176	8.6
99.08109	6.1
104.41325	1.4
105.07027	45.7
106.07352	1.6
107.04957	2.1
107.08585	24.3
109.06508	3.0
109.10159	21.4
110.10524	1.5
111.08092	1.8
111.11739	2.1
114.29308	1.3
115.05437	2.0
117.07020	11.9
119.08573	56.1
121.10126	17.7
123.11701	8.3
129.05493	2.0
129.07005	7.8
131.08566	19.6
133.09102	2.2
133.10123	39.2
134.05997	2.8
135.08110	1.9
135.11674	18.8
135.12576	2.1
137.09651	1.7
137.13245	2.7
139.42947	1.8
143.08571	6.4
143.37807	1.5
145.10112	17.9
147.10474	2.2
147.11679	39.3
148.12013	1.9
149.09705	3.1
149.13222	10.6
157.10143	7.9
159.11676	15.4
161.13252	34.4
163.11206	3.8
163.14842	3.7
171.11650	12.6
173.13206	10.1
175.11249	1.8
175.14838	15.0
179.14326	4.5
185.13327	8.8
187.14795	1.8
189.12759	1.9
199.14874	5.5
201.16522	1.7
203.17938	10.6
213.16356	1.8
217.19563	2.8
231.21014	7.3
239.23705	5.2
241.19514	34.0
242.19835	2.0
257.24829	2.7
259.20560	78.9
260.20856	4.0
264.30603	1.6
265.93304	1.8
267.15936	6.4
277.21606	9.5
278.22116	1.7
313.27328	100.0
314.27670	6.8
315.23196	4.7
333.24194	39.7
334.24442	3.1
351.25378	1.9
387.17889	3.7
505.38803	6.9
522.38116	2.1
571.47046	8.7
589.48206	21.3
590.48468	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36742	2.6
53.03946	2.7
60.05654	3.3
67.05510	6.5
69.03433	5.9
70.93988	5.0
77.43043	2.3
78.34661	2.6
79.05493	13.7
81.07057	72.1
83.04976	4.5
85.71089	2.6
91.05488	11.8
93.07043	7.9
95.04967	9.3
95.08610	8.7
97.02865	3.8
99.04509	4.2
105.07049	4.6
107.08604	3.3
109.06537	38.1
117.07048	2.8
119.08563	4.7
121.06547	5.6
121.10146	4.1
123.04413	4.8
123.08076	12.4
129.07010	4.8
131.04945	3.9
131.08574	7.3
133.06525	4.7
135.04398	2.3
135.08025	3.1
137.05978	100.0
138.06276	4.1
139.03911	4.9
139.07539	2.6
141.07021	3.7
143.08540	6.0
145.06497	5.6
145.10179	4.3
147.08092	7.6
151.07576	3.3
155.08563	4.8
157.06516	3.2
157.10103	6.5
159.08102	8.9
160.76019	2.8
161.05951	4.7
167.08575	5.3
169.06517	2.8
169.10139	5.9
171.08044	10.1
173.09669	6.0
175.07520	5.2
177.09142	3.0
178.07761	2.8
179.08582	7.4
181.06548	3.3
181.10191	7.0
183.08061	5.2
185.06076	3.8
185.09656	6.2
187.07561	6.4
187.11140	3.7
189.09108	4.3
193.10049	5.7
195.08098	7.6
195.11705	5.2
197.09662	7.5
199.07550	7.2
201.09073	2.8
203.08681	2.9
205.10159	3.2
207.08014	3.1
207.11768	4.2
208.08911	4.3
209.09695	8.9
211.07397	3.2
211.11259	7.9
213.09129	9.3
217.10260	2.8
219.11766	4.4
221.09592	5.0
221.13324	3.4
223.11201	5.7
225.09193	5.6
233.09624	6.7
234.10335	4.1
235.11209	7.7
236.12007	3.5
237.08960	5.4
237.12686	4.1
239.10754	7.5
239.14197	2.9
243.10095	3.3
245.09889	2.8
247.11270	3.7
249.09161	3.9
251.10698	8.1
252.11310	2.8
253.12190	6.8
259.11176	3.2
261.09219	3.9
263.10645	7.4
263.14493	4.9
265.12213	5.1
267.13840	4.2
273.12927	6.1
276.11539	3.0
277.12320	7.1
279.10278	4.0
279.13690	4.9
280.10971	5.6
281.11523	4.4
281.15158	3.7
289.12164	3.3
291.13742	9.0
293.11829	2.9
301.12158	4.3
307.13348	3.4
309.14890	8.1
319.13187	6.6
323.16254	3.2
337.14322	12.8
353.17340	6.1
355.15247	4.2
367.15265	6.2
369.16641	4.4
371.16260	4.0
379.15546	5.4
389.17419	6.5
393.17087	5.8
397.16431	21.3
398.17166	6.3
399.15891	4.9
407.18481	8.2
417.16959	22.7
433.20148	4.4
435.17975	83.9
436.18564	6.1
449.19498	5.5
451.21140	8.6
453.19073	56.2
459.17984	8.9
467.20590	6.5
469.22424	3.1
477.19119	28.4
485.21722	8.5
495.20187	40.6
513.21069	11.2
527.22003	3.0
537.21014	5.4
555.22162	19.0
556.62402	3.1
590.21472	20.6
590.29565	20.7
591.21613	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	1.4
58.06621	1.8
69.12334	12.8
83.04978	2.4
108.32371	1.4
131.04970	3.5
165.06874	1.5
174.85324	1.3
177.81076	1.4
182.07443	1.4
219.08063	1.7
223.07520	1.7
233.06203	1.5
234.06721	3.4
235.07567	3.1
237.09068	1.8
238.06329	1.8
238.10118	1.8
239.10793	2.0
240.07661	1.3
241.08546	2.1
249.09157	6.1
250.06433	1.4
250.09731	1.6
252.07779	2.9
253.08720	2.1
254.09314	2.1
260.88770	1.4
263.07068	2.5
265.08658	6.4
266.09283	3.2
267.06665	2.1
267.10104	10.6
268.07339	2.1
269.08139	2.4
276.07779	1.9
277.08691	5.6
278.05756	1.6
279.06525	2.6
279.10193	4.4
280.07419	3.5
280.10635	2.8
281.08096	3.6
282.08908	4.9
282.12482	4.5
283.06021	2.2
283.09421	3.3
284.06824	2.0
285.07590	1.8
291.06601	2.6
292.07376	3.0
293.08093	9.0
294.08926	4.3
295.06305	3.1
295.09689	8.9
296.06772	4.5
297.08044	2.7
297.11261	9.0
298.08286	7.3
298.11545	1.6
299.05557	2.6
299.09128	5.6
307.06339	2.4
307.09592	12.0
308.10449	5.0
309.07602	6.1
309.11325	6.5
310.08322	4.4
310.12030	7.7
311.09195	4.5
312.09790	3.1
313.07288	2.5
313.10596	4.2
313.14017	2.1
315.08563	1.5
323.09204	8.4
323.12656	1.9
324.09790	3.5
325.10638	17.1
326.11444	4.1
327.08682	5.7
329.10178	11.5
330.10776	1.7
338.11459	14.5
339.08450	3.9
339.12268	5.1
340.08975	2.9
340.13019	46.1
341.10077	7.6
341.13770	14.8
342.10947	10.2
343.11661	7.1
354.10968	4.0
355.11823	2.0
356.12515	23.1
369.13333	68.6
370.13736	6.5
371.14880	100.0
372.15054	9.2
373.12808	6.2
381.13596	2.0
382.14124	4.2
383.14740	2.2
413.15997	9.6
468.49847	1.6
596.25238	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01868	6.9
55.05515	1.9
57.03447	7.4
57.07078	1.2
59.05007	2.0
61.02933	4.5
65.47436	1.2
65.95120	1.3
67.05512	7.5
69.03430	13.1
69.07066	3.6
69.10133	11.6
71.01368	2.1
71.04988	2.4
73.02919	13.2
78.52905	1.3
79.05506	3.6
81.03425	4.4
81.07066	7.1
85.02908	27.6
85.06539	2.5
87.04471	2.1
91.05482	18.2
93.07061	4.4
95.04930	1.6
95.08609	42.7
96.08923	1.6
97.02898	22.2
98.83351	1.5
99.08099	1.4
105.07027	28.2
107.04961	2.1
107.08584	1.3
109.06541	1.5
113.05999	3.8
113.72886	1.3
115.03927	8.7
117.07003	11.7
119.08605	3.0
121.06511	8.8
123.08089	5.6
127.03926	7.5
131.08580	11.2
133.04953	15.6
137.05933	1.5
141.06976	1.4
143.08572	31.1
145.04961	9.3
145.10126	100.0
146.10478	2.6
147.08087	2.7
155.10678	1.5
159.08020	1.8
163.06032	2.3
173.09680	2.2
173.13229	8.4
183.11746	5.9
201.12752	34.3
233.15363	32.5
241.07088	1.5
261.14865	51.9
262.15298	2.7
279.15897	15.2
387.31119	1.3
431.18155	1.3
485.21600	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	1.5
67.76968	1.3
69.03442	2.2
69.21296	5.4
69.21719	6.3
79.05508	3.7
81.07063	28.7
91.05497	3.5
93.07049	1.9
95.08626	2.6
97.02895	1.2
98.23341	2.4
105.07036	2.3
107.08606	1.5
109.06536	9.9
111.08107	1.5
117.07058	3.0
119.08541	1.6
123.08083	2.1
128.06265	1.9
129.07036	3.6
131.08620	3.8
133.10165	1.5
135.08075	2.0
135.32646	1.4
137.05981	49.7
143.08624	3.9
145.06517	2.2
145.10168	4.4
147.08107	3.2
155.08606	3.1
157.10194	1.9
159.08083	9.8
159.11755	1.5
161.09628	2.7
169.10210	4.8
171.08099	2.5
172.08777	2.0
173.09717	5.2
174.10652	1.7
175.11163	2.7
185.09660	3.3
187.11256	5.7
189.09128	3.0
193.08640	1.9
193.10223	2.3
195.11781	2.0
199.07721	1.6
201.09158	2.0
201.12834	1.8
213.12901	1.7
215.10860	1.3
219.10161	3.2
221.13269	1.4
223.11417	2.4
225.12773	1.5
229.08914	1.6
229.12328	2.4
239.14465	2.4
241.12398	1.6
265.12674	1.6
283.13388	1.4
343.15793	2.2
355.15491	2.5
373.16708	2.7
388.82941	1.5
391.17709	2.9
403.19089	2.3
419.18375	2.6
421.20499	3.7
431.18701	5.9
437.19800	4.5
447.21741	2.0
449.19711	9.8
451.21432	2.1
463.21420	4.7
465.22940	4.3
467.20749	13.8
481.22336	3.3
483.24011	1.9
485.21710	100.0
486.22128	9.3
491.20660	8.8
497.22006	4.5
509.21793	24.2
510.21832	2.3
527.22748	11.8
528.23193	1.5
545.23975	19.8
546.24329	2.2
590.29791	53.9
591.30042	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06179	0.6
60.10776	0.6
62.27127	0.7
67.05515	0.8
69.03436	1.7
69.06539	6.4
70.24911	0.6
79.05505	1.3
81.07065	9.8
83.05043	0.7
91.05513	0.8
93.07060	1.3
97.06591	0.8
105.07046	1.7
109.06524	3.7
117.07054	0.8
119.08542	0.7
128.06247	1.0
129.07066	1.7
131.08640	1.2
137.05978	13.6
143.08603	2.1
145.10181	1.2
147.08083	1.2
149.06012	0.7
152.04208	0.7
155.08604	1.6
157.10239	0.8
159.08098	2.6
159.11717	1.0
165.05501	0.8
169.10167	1.1
171.07996	0.8
173.09636	0.8
175.11259	0.8
183.11723	1.2
185.09807	0.8
187.11223	1.9
189.09184	2.0
193.10139	1.0
195.11720	0.9
201.09204	0.9
217.10249	0.8
229.12314	1.5
231.45906	0.8
237.12842	1.1
265.12216	1.2
281.15460	0.9
293.12335	0.8
392.73135	0.7
403.19138	0.9
421.20166	1.5
443.32639	0.7
449.19745	3.1
463.21088	1.5
465.22617	1.7
467.20630	7.6
481.22174	1.6
483.23560	1.2
485.21564	4.4
491.20804	2.9
509.21701	9.8
527.22791	2.5
545.23523	1.1
590.21960	3.6
590.29639	100.0
591.30035	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.7
57.07064	0.6
65.03932	0.5
67.05497	2.3
69.07064	0.8
69.71576	2.3
79.05492	0.8
81.07059	3.6
81.55492	0.5
83.08625	0.9
90.19974	0.5
91.05474	1.1
93.07046	1.7
95.08588	1.8
95.55388	0.5
105.07020	3.7
106.07327	0.6
107.08559	0.9
109.06454	0.6
109.10140	1.5
117.07047	0.7
119.08584	2.2
120.08937	0.7
131.08534	0.9
133.10107	1.6
145.10138	4.0
146.10445	1.6
147.11673	2.2
159.11737	0.9
160.12041	0.9
161.13214	1.4
167.07042	0.8
173.13219	0.5
177.05548	0.5
197.06013	0.6
201.09039	1.3
201.16370	1.4
202.09911	1.5
202.16656	0.8
203.17946	2.1
204.18350	1.6
207.08138	0.7
209.09492	1.0
210.06615	1.2
211.07567	0.9
216.32561	0.5
220.08823	1.5
221.09505	0.7
225.09070	1.0
226.06422	0.7
227.07040	0.9
231.08199	0.6
233.09604	0.9
234.06631	0.6
235.07596	0.9
235.11041	1.9
237.09172	4.1
237.43260	0.6
238.09731	1.2
239.06976	1.7
239.10710	0.7
240.07677	1.2
241.04927	0.8
242.05768	0.9
247.07526	0.7
248.08250	2.8
249.09126	4.6
250.09631	0.8
251.06989	1.1
251.10652	1.6
252.11459	2.1
253.08577	1.0
254.09349	1.4
255.06444	0.8
256.07263	1.1
257.07962	0.7
261.09119	1.2
262.09979	1.2
263.07269	0.7
263.07730	0.8
263.10669	7.2
264.11374	2.3
265.08588	7.6
265.11765	1.2
266.05890	0.5
266.09286	2.3
266.12851	0.7
267.06631	0.7
267.10181	1.5
267.13760	1.7
269.04553	0.6
269.08142	0.8
269.11841	0.9
271.09683	1.8
272.06686	0.5
277.08569	7.9
278.09299	2.5
279.10071	3.6
280.10895	9.1
281.08432	0.7
281.11594	3.3
282.08865	1.0
282.12103	1.1
284.06586	0.8
285.07690	1.1
285.11023	0.6
287.09247	0.6
291.10062	2.2
292.10828	2.0
293.08096	2.9
293.11664	1.6
294.08749	1.7
294.12308	1.3
295.09879	1.0
295.13223	10.6
296.10715	0.7
296.13910	2.2
297.11230	2.5
299.09058	1.8
300.09717	0.6
307.09604	1.0
308.10297	1.7
309.11188	9.6
310.11771	1.5
312.13580	1.2
313.10617	0.6
318.10931	0.7
322.11618	1.0
323.12711	10.4
324.13467	8.4
325.10614	3.4
325.14273	2.3
326.11444	0.9
327.15894	0.9
331.11496	0.9
339.12277	2.4
340.12805	6.7
341.13544	1.1
342.14001	0.8
345.13123	0.9
355.15375	100.0
356.15894	15.1
357.12903	0.6
357.16733	1.0
371.14865	0.8
372.15384	1.1
387.18030	12.7
388.18304	2.8
405.64706	0.5
590.34930	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.8
55.61445	0.7
56.44419	0.7
57.03434	0.7
57.07068	1.7
67.05484	1.9
69.07066	1.7
69.15401	4.6
69.15812	1.6
71.08637	1.2
79.05486	1.9
81.03397	0.7
81.07043	3.2
83.08615	1.3
91.05481	1.3
93.07054	1.3
93.48717	0.8
95.08608	3.3
97.29496	0.7
101.06003	1.1
105.07023	2.2
107.08591	1.5
109.10132	1.8
119.08584	1.6
128.06271	0.9
133.10167	0.9
135.11754	0.8
142.70863	1.0
143.08511	1.0
145.10161	1.4
159.07999	0.9
173.09782	0.9
191.10632	0.8
201.09064	0.8
209.06175	0.9
209.09645	2.0
210.06682	1.6
211.07570	2.9
219.08107	1.8
220.08806	2.5
221.09593	2.0
223.07616	1.4
223.11127	0.9
225.09106	1.7
227.07048	1.4
228.07755	1.0
233.09572	1.8
234.10281	1.1
235.07541	1.0
235.11166	3.0
237.05434	1.6
237.09090	2.4
238.06190	1.9
239.07103	2.5
239.10603	1.4
240.07802	1.3
241.05006	2.3
241.08429	1.2
242.05800	1.3
243.06493	0.8
248.08217	3.6
249.09059	4.7
250.09822	2.5
251.07066	1.8
251.10646	2.6
252.07745	1.1
252.11479	1.6
253.08627	3.1
253.12251	1.9
254.09454	1.8
255.06470	1.8
255.10175	1.4
256.07233	3.0
257.08099	2.9
259.06015	1.5
261.09048	2.2
262.09872	1.5
263.06900	1.5
263.10687	5.9
264.11337	1.5
265.05899	1.3
265.08636	7.0
265.12225	4.0
266.05658	3.4
266.09341	3.3
267.06558	6.8
267.10126	2.7
267.13773	1.2
269.04468	2.7
269.08258	0.7
269.11636	1.8
270.09045	0.9
271.09683	2.6
276.07767	1.2
277.08588	3.8
277.12131	1.4
278.09216	1.4
279.06982	1.0
279.10141	5.3
280.07791	1.3
280.10944	4.2
281.08093	5.2
281.11707	11.8
282.12228	1.1
283.09503	1.7
284.06744	10.1
285.07574	16.3
285.10898	1.4
286.08115	0.9
287.09116	1.1
291.10135	4.5
292.10806	2.1
293.08105	4.0
293.11728	7.0
294.08896	3.1
294.12515	2.5
295.09662	3.1
295.13272	8.8
296.13916	1.8
297.08154	1.3
297.11185	5.7
298.08289	2.1
298.11655	1.5
299.09164	9.6
299.15036	2.4
300.09882	6.1
302.07828	0.9
303.08798	1.0
306.12384	1.0
307.09671	3.3
308.10370	5.7
309.11224	18.7
310.11844	2.8
311.09125	1.9
311.46814	0.8
312.13467	3.7
313.10657	2.2
313.14185	1.8
313.27356	2.6
314.11432	15.4
315.11887	1.0
316.09488	0.9
317.10068	2.8
318.11014	1.0
322.12054	5.1
323.12775	11.5
324.13583	5.7
325.10645	7.4
325.14365	9.2
326.11322	2.5
326.14835	1.6
327.15790	4.3
331.11658	0.8
337.14072	1.0
340.13092	12.6
341.13831	38.8
342.14136	3.1
345.13358	1.0
355.08911	1.1
355.15399	63.2
356.16153	100.0
357.16550	8.1
359.18536	4.4
372.15775	1.1
387.18008	90.5
388.18314	8.5
531.23792	1.1
591.25818	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
53.99277	4.6
55.05509	17.5
57.03439	20.2
57.07080	58.1
65.03951	5.1
67.05506	34.4
68.05811	8.7
69.07071	15.9
69.61301	15.5
69.61708	7.2
71.08636	30.2
76.36005	4.4
79.05492	24.0
81.03416	74.8
81.07063	39.0
83.05007	9.1
83.08618	27.1
85.06542	5.1
85.10201	19.4
88.72663	4.3
89.06009	4.8
91.05474	30.6
93.07046	24.5
95.04978	16.1
95.08606	32.9
97.10178	6.9
105.07034	29.9
107.04955	8.6
107.08592	10.4
109.10166	13.5
111.08103	4.3
119.08606	19.6
120.08904	6.0
121.10122	10.3
123.11658	5.2
129.07019	12.9
131.08556	9.8
133.10167	14.0
135.11647	6.9
145.10098	7.7
147.11681	20.9
157.10133	11.0
161.13278	9.5
162.87083	4.3
173.13348	5.6
173.65852	5.6
175.11223	8.4
177.05484	17.8
181.15701	4.6
193.12276	27.9
209.17874	4.3
242.19907	6.1
259.20667	10.8
260.20895	13.9
267.15894	95.2
313.27335	100.0
314.27655	18.9
334.24481	8.9
336.97888	4.8
346.13910	5.3
505.38824	65.3
506.39017	6.2
590.48492	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.2
53.03930	0.2
55.01869	1.6
55.05499	0.2
58.45763	0.1
65.03947	0.9
67.01859	0.6
67.05494	0.5
68.99782	2.3
69.39702	1.1
77.03905	0.3
79.05485	0.4
81.03428	0.2
83.01339	0.3
83.04988	0.9
85.02943	0.2
89.03886	0.2
91.05473	0.2
91.28793	0.2
91.29379	0.2
93.03407	0.7
95.04965	0.6
96.04498	0.2
97.02895	0.5
98.22675	0.3
105.03416	0.2
105.07068	0.2
107.04942	0.7
109.02863	0.6
111.04446	3.3
115.05448	0.4
117.03388	0.4
119.04951	0.4
121.02828	0.4
123.04430	13.5
124.04765	0.2
127.03919	0.5
128.06183	0.3
129.06998	0.3
131.04921	0.9
133.02858	0.3
133.06447	0.2
135.04417	9.9
136.04764	0.2
137.02371	0.4
139.03899	100.0
140.04242	2.3
141.01801	0.3
141.06973	0.4
143.04924	0.4
145.06470	0.6
147.04396	1.9
148.76411	0.2
149.02327	0.2
149.05994	0.4
151.03897	5.8
153.07007	1.3
157.06509	0.4
159.04393	1.4
161.02371	0.3
161.05989	1.1
163.03906	11.5
164.04158	0.2
165.05486	0.8
165.06853	0.3
167.03514	0.2
167.04924	0.4
169.06499	0.6
171.04404	0.4
173.05978	1.2
175.03870	1.3
177.05470	0.9
179.03386	6.5
180.03786	0.2
181.04953	0.4
181.06505	1.7
185.05940	1.5
187.03905	2.1
187.07579	0.6
189.05482	2.9
191.03433	0.6
193.04941	0.5
195.04382	0.3
197.06012	0.6
199.03894	0.4
199.07498	0.7
201.05486	1.2
203.03391	2.1
203.06993	0.5
205.04955	0.3
207.06512	0.2
209.05989	1.0
211.03952	0.3
213.05484	2.1
215.03433	1.4
215.07010	0.7
217.04959	1.9
225.05408	0.2
227.03395	0.5
227.06969	1.3
229.04956	2.2
231.06551	0.4
233.04437	0.3
237.05428	1.2
241.04915	1.8
243.06393	0.2
245.04437	7.6
246.04886	0.2
247.05888	0.2
253.05000	0.2
255.06514	4.3
256.06891	0.3
257.04440	1.9
259.06030	3.1
261.07574	0.3
263.05536	0.2
265.05017	0.7
269.04465	2.3
270.05057	0.4
271.05997	3.0
273.07541	1.0
281.04456	0.6
283.05997	16.4
284.06363	0.8
287.05484	7.6
288.05801	0.3
289.07080	0.5
291.08682	2.1
299.05475	3.9
300.05695	0.3
301.07059	10.3
302.07327	0.5
303.08530	0.5
311.05466	1.4
361.07034	0.2
403.07895	0.2
405.06250	0.4
407.07520	0.8
411.10635	0.6
421.09189	7.1
422.09439	0.5
423.06848	0.3
433.09155	0.6
439.10217	2.4
440.10596	0.2
539.09473	0.2
588.56061	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
55.05513	2.8
57.35669	1.0
59.05005	0.9
61.51212	1.0
65.03956	1.8
67.05507	6.5
69.03429	5.5
69.07083	2.8
69.19274	1.0
71.05003	1.7
79.05499	12.4
81.03432	2.1
81.07056	38.3
83.04984	3.4
85.02905	1.5
91.05476	11.6
92.68627	1.2
93.07038	7.1
94.85398	1.0
95.04973	10.6
95.08611	16.8
97.02888	6.6
97.06528	5.3
98.23316	2.0
99.04470	3.6
100.66219	1.1
103.05476	3.1
105.03419	1.4
105.07040	14.1
107.04974	3.4
107.08594	6.8
109.02921	1.3
109.06524	22.2
109.10199	1.9
111.04466	3.3
111.08059	1.9
115.05444	4.0
117.07040	6.8
119.08598	8.2
121.06515	6.4
121.10175	1.6
123.04449	2.0
123.08065	11.2
125.06001	3.0
128.06276	4.3
129.07011	6.9
131.04909	5.7
131.08554	6.1
133.02902	1.2
133.06522	7.8
133.10147	3.1
135.08060	4.5
137.05974	45.0
137.09555	1.4
138.06697	1.4
139.03909	1.7
139.07562	2.1
141.06998	4.4
142.07773	2.1
143.08556	8.6
144.05725	2.4
145.06496	18.7
145.10150	4.1
146.07243	1.0
147.04413	2.1
147.08066	12.2
149.05977	5.1
149.09721	1.4
151.07556	3.8
153.05521	1.9
153.06931	2.0
153.09123	2.2
154.07793	1.8
155.08522	9.5
157.06512	5.6
157.10158	5.6
158.07260	5.8
159.08080	13.6
161.05995	3.8
161.09602	4.3
163.07567	3.6
165.07031	4.0
165.09169	3.1
166.07796	2.1
167.07272	1.5
167.08530	5.6
168.09329	1.6
169.06546	4.0
169.10159	4.4
171.08060	12.7
172.08923	1.5
173.06050	3.6
173.09637	8.4
173.10901	1.3
175.07597	3.4
177.09169	2.7
178.07864	3.2
179.07219	1.6
179.08533	7.3
180.09404	2.1
181.06482	3.0
181.08614	2.8
181.10159	5.9
182.07303	1.7
182.10806	1.6
183.08081	12.1
183.11708	3.8
184.08871	4.2
185.05952	2.9
185.09598	7.2
187.07558	6.9
187.11267	1.7
189.07419	1.3
189.09181	3.0
190.07770	1.4
191.08537	3.3
192.09343	4.0
192.47307	1.4
193.08595	2.2
193.10175	9.0
194.07153	1.4
194.10783	1.8
195.08109	7.8
195.11739	5.1
196.08865	3.8
197.06029	2.3
197.09631	8.1
197.13344	1.8
199.07545	4.2
199.11284	3.8
201.09142	6.0
202.07782	3.6
202.09586	1.4
203.08585	3.1
203.10683	1.7
204.09348	3.6
205.06720	1.3
205.10208	5.3
206.07385	1.5
206.10852	2.2
207.08096	3.9
207.11739	6.3
208.08913	2.2
209.09622	7.2
209.13290	2.7
210.10382	2.6
211.07596	3.0
211.11177	6.6
212.08165	1.7
213.09236	2.5
213.12662	1.2
215.08682	2.4
215.10695	1.6
216.09322	2.7
217.10187	7.7
218.10855	1.8
219.08128	3.4
219.11700	6.3
220.08789	5.9
221.09610	8.4
221.13298	3.2
222.10397	3.3
223.07637	1.7
223.11195	7.7
223.14767	1.2
224.08348	2.0
225.09166	4.0
225.12735	4.6
226.13475	1.6
227.10742	1.4
228.09244	1.3
229.10181	2.8
230.10966	2.0
231.11742	4.4
232.08849	4.2
232.12527	2.2
233.09641	8.1
233.13272	3.1
234.10371	4.5
235.07675	1.2
235.11212	14.8
236.08363	1.6
236.11940	3.7
237.09166	3.5
237.12787	5.9
238.09804	2.0
238.13365	1.6
239.10730	2.9
239.14369	1.8
242.10980	1.8
243.09952	1.9
244.12614	2.1
245.09570	8.1
245.13391	2.8
246.10381	5.1
247.11182	9.3
247.14900	2.4
248.08316	1.4
248.11780	2.5
249.09154	3.0
249.12773	9.4
250.09727	1.3
250.13478	2.0
251.10570	6.0
251.14317	4.0
252.11624	1.7
253.12239	7.2
255.13969	1.5
257.13577	1.8
258.10522	1.6
259.11487	6.0
259.14746	2.0
260.11926	2.4
261.09137	1.9
261.12796	7.5
261.16434	1.5
262.09735	1.6
262.13568	1.3
263.10748	10.9
263.14206	6.4
264.11517	3.2
265.12253	9.0
265.15915	2.2
266.13098	1.4
267.10135	2.7
267.13837	4.4
270.10654	1.5
273.09055	1.3
273.12720	3.9
274.13321	1.6
275.10709	4.3
275.14362	6.8
276.11435	2.2
276.14786	1.2
277.12286	5.3
277.15823	2.5
278.13153	1.8
279.13834	6.6
281.11780	9.7
281.14932	2.0
283.13400	2.0
285.12799	1.3
286.13266	1.8
287.14398	2.7
289.12305	4.9
289.15594	1.5
290.13040	1.5
291.10541	1.3
291.13748	5.4
293.11835	2.7
293.15408	8.0
294.12375	1.3
294.15854	1.6
295.13321	4.3
297.11502	1.7
297.15076	1.9
299.12747	17.0
301.12100	1.4
303.13788	5.3
305.15457	3.8
307.13437	5.5
307.16699	1.4
309.14908	4.9
315.13837	1.9
319.13318	1.5
321.11276	1.8
321.14880	4.4
322.15448	1.5
323.16507	3.4
325.14603	1.7
333.14911	4.9
335.12772	1.6
335.16486	1.5
337.14322	2.1
339.16019	3.3
341.14163	1.5
351.16019	3.9
353.13815	1.8
369.16934	2.6
371.15121	3.9
373.18149	4.0
375.15591	1.6
375.19885	1.3
377.17401	1.6
379.15503	2.5
383.16327	1.4
385.17902	2.0
387.15817	2.6
389.17471	2.3
391.19061	8.5
392.19672	1.7
397.16412	7.9
401.17462	9.7
402.18185	4.8
403.19019	4.9
404.42776	1.4
405.16574	1.9
407.18326	3.6
409.20087	4.6
413.17465	2.1
415.18127	3.4
417.17026	2.4
419.18539	39.0
420.19247	9.1
421.19922	5.6
431.18536	9.9
433.20090	5.0
437.19611	100.0
438.19965	13.4
439.21127	2.7
441.17029	2.2
449.19595	14.3
451.21194	3.6
455.20425	7.4
459.17941	3.3
467.20670	28.0
468.21030	2.9
469.22391	1.5
477.19098	8.2
478.19547	1.4
479.20987	6.6
481.10004	1.3
485.21530	6.3
495.20157	16.5
497.21631	4.7
513.21179	7.0
515.22455	2.4
573.22900	1.7
591.31427	1.5
591.43085	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
55.53109	0.2
57.07076	0.2
58.82870	0.2
67.05506	0.8
69.07063	0.4
70.32199	0.7
79.05499	0.5
80.49689	0.2
81.07070	1.1
85.10205	0.2
91.05505	0.3
93.07033	0.6
95.08611	0.5
105.07012	0.5
107.08608	0.5
109.10181	0.4
119.08581	0.5
121.10152	0.5
131.08589	0.3
143.08572	0.4
145.10112	0.4
146.50714	0.2
147.11684	0.3
154.19666	0.2
159.11667	0.3
159.53651	0.2
169.10219	0.2
201.09190	0.3
201.16364	0.3
202.09868	0.3
235.13387	0.4
249.08832	0.5
257.07849	0.3
263.10544	0.5
264.11069	0.4
265.08591	0.7
266.09094	0.3
277.08743	0.7
278.09018	0.6
280.10843	0.6
281.11423	0.7
293.08249	0.3
294.08667	0.3
295.13379	0.8
296.13770	0.6
309.11179	0.8
310.11633	0.4
313.27414	0.3
323.12872	0.5
324.13174	1.1
325.14090	0.5
335.25894	0.3
337.15726	0.2
355.15381	6.2
356.15790	6.4
357.16455	0.4
374.16614	0.3
387.17664	0.4
388.18253	0.8
389.18478	0.2
400.17288	0.3
401.17618	1.1
402.18777	0.6
404.20941	0.4
412.17911	0.3
413.17850	0.7
414.18155	1.4
415.19241	5.8
416.19879	2.6
417.20889	1.5
418.15518	0.3
418.21790	0.3
427.19229	0.5
428.20151	1.1
429.20883	8.0
430.21530	4.5
431.22458	1.9
433.24026	0.9
442.22333	0.4
443.22833	2.7
444.23627	6.7
445.24191	5.1
446.24335	1.0
448.26102	1.4
457.19891	1.0
457.24936	0.5
458.20340	0.7
458.24786	1.3
459.21432	3.4
459.25845	3.6
460.26111	0.4
461.23257	0.5
469.23947	0.5
470.21188	0.3
471.21936	0.4
472.22739	4.2
473.23401	6.7
474.24283	4.0
475.25461	1.5
476.22037	0.7
485.23694	2.0
486.24557	1.2
487.24942	25.2
488.25394	3.6
489.22955	2.3
490.23441	1.0
495.17694	0.3
500.21927	0.5
501.22842	0.6
502.23505	0.4
503.25122	2.3
504.25119	0.5
515.24475	1.5
517.22491	0.8
518.23029	0.8
531.23895	14.8
532.24597	6.7
533.24438	0.5
559.23944	0.4
563.26489	0.5
576.23419	0.3
591.25977	100.0
592.26312	12.5
592.36188	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85764	0.5
56.19474	0.6
60.05639	1.7
69.56351	3.6
81.07059	1.3
83.36491	0.7
91.05508	0.8
123.04424	0.7
137.05994	1.3
145.14432	0.6
184.58470	0.7
229.98363	0.7
235.19615	0.6
249.10924	3.0
279.56674	0.6
333.13562	0.7
375.18091	0.7
433.18216	0.9
455.20416	1.4
467.20364	0.7
473.21307	1.4
513.24640	1.2
523.23346	1.8
541.24017	14.3
542.24719	1.7
559.25140	63.6
560.25677	6.2
591.27771	100.0
592.28058	10.9
595.46704	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.3
57.03428	1.9
66.01267	1.4
67.05495	5.1
69.03429	3.2
69.07056	3.1
70.51003	4.1
71.05000	2.1
79.05494	8.2
79.06840	1.5
81.03412	2.4
81.07057	25.6
83.03762	1.6
83.04993	3.1
91.05491	8.4
93.07050	9.0
95.04977	4.3
95.08606	8.1
97.02882	3.7
97.06525	2.9
99.04461	3.9
103.05506	2.0
105.07029	9.8
107.08619	7.6
109.02908	1.7
109.06517	16.1
109.10116	2.6
115.05480	2.7
117.07008	6.3
119.08581	11.1
121.06522	4.7
121.10137	5.4
122.44078	1.5
123.08042	7.0
128.06247	2.8
129.06992	4.1
131.08574	6.8
133.06487	3.6
133.10156	6.0
133.51080	1.5
135.08020	4.9
137.05977	30.2
141.07036	4.3
142.07748	3.1
143.08575	13.2
145.06453	3.5
145.10106	8.4
147.08054	6.6
147.11658	4.3
149.05914	1.8
149.09627	2.6
153.05417	1.7
155.08557	9.2
156.06288	1.7
157.06468	1.9
157.10144	7.2
159.08064	5.2
159.11678	3.7
161.09598	5.6
161.13206	1.6
163.07443	1.8
165.07025	2.4
165.09120	2.3
167.08572	6.2
169.10187	10.6
171.08060	2.3
171.11702	6.2
173.09657	6.0
173.13239	3.4
175.07518	3.1
175.11273	2.0
179.08553	6.2
180.09349	3.3
181.10126	9.1
182.10809	2.3
183.08040	2.3
183.11642	8.0
184.08806	1.8
185.09630	2.9
185.13210	1.7
187.07385	2.0
187.11150	3.1
189.09167	3.5
192.09373	2.7
193.10083	9.1
194.10901	2.4
195.08138	3.0
195.11693	6.9
197.09528	3.7
197.13257	2.8
199.11122	3.0
201.09003	2.2
201.12828	1.6
203.08545	2.9
203.10724	1.6
204.09312	3.1
205.10138	4.7
206.10930	3.1
207.11684	6.9
208.12454	1.7
209.09654	3.9
209.13283	7.8
211.11200	3.4
211.14761	2.7
213.12721	2.9
217.10138	4.5
218.10968	2.3
219.11723	5.4
221.09711	1.7
221.13225	6.1
223.11246	3.5
223.14835	3.7
225.09204	1.9
225.12749	2.6
225.16370	2.0
229.10191	2.3
230.10872	3.9
231.11783	3.8
232.12497	2.3
233.13280	6.8
235.11198	3.5
235.14771	10.8
237.12735	4.8
237.16376	4.0
244.12413	2.1
245.13303	5.8
246.14018	1.9
247.11105	2.5
247.14844	6.5
249.12785	3.4
249.16432	3.5
251.14223	4.0
256.12595	2.0
257.13345	2.5
259.14844	4.6
260.11917	1.9
261.12708	3.0
263.14319	11.5
264.14929	1.6
265.15924	6.2
267.13718	2.2
275.14374	3.8
275.17734	1.9
277.15878	4.9
279.13840	2.3
279.17297	2.8
281.12018	1.7
281.15366	6.2
291.17459	2.3
293.15445	3.3
293.18970	7.9
295.17041	2.6
303.17245	1.7
305.18832	2.3
311.16507	1.9
311.19992	4.3
321.14832	2.6
321.18405	2.5
339.15863	3.0
339.19687	3.5
341.17484	3.8
369.20706	2.9
387.21713	3.2
391.22723	3.3
397.20279	3.0
409.23764	8.7
412.80591	1.7
413.20837	2.2
415.21765	5.2
417.20706	2.5
419.22357	29.5
420.22720	6.3
421.23901	3.5
431.22040	3.8
433.23511	5.0
435.21436	2.0
437.23282	100.0
438.23813	14.8
439.24860	4.0
441.20956	2.5
449.23181	8.0
451.24667	4.7
459.21732	3.2
461.19318	2.1
467.24280	16.9
468.24484	1.9
477.22644	5.8
479.24884	2.6
495.23859	14.1
505.19739	1.7
513.25018	12.8
555.25549	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.05517	3.2
57.07067	2.7
59.61348	0.7
67.05508	5.3
67.93074	0.6
69.07079	3.4
69.13571	0.7
69.88074	2.4
71.08640	1.7
75.04470	0.9
75.45010	0.7
78.04703	1.9
79.05497	3.4
80.05853	0.6
81.03403	1.1
81.07065	5.8
83.08607	1.7
85.10202	1.1
87.08118	4.1
91.05479	4.7
93.07034	4.0
95.04990	1.3
95.08046	1.4
95.08613	15.8
97.10147	1.3
101.06009	1.0
105.07034	18.1
106.04183	1.1
106.07346	0.9
107.08596	3.1
109.10182	3.8
117.07032	1.6
119.08581	13.8
121.10144	8.1
123.04443	3.6
124.05225	1.3
129.07025	0.8
131.08554	1.8
133.10135	8.6
134.10985	0.8
135.11690	2.2
137.05986	0.8
139.07570	1.6
141.06937	0.8
144.05679	0.7
145.10144	3.0
146.07187	0.8
147.11696	17.4
147.12869	0.8
152.04681	1.9
155.07013	1.8
158.07298	1.2
159.08046	2.9
159.11658	1.6
160.12498	0.8
161.09613	2.9
161.13252	14.9
167.07045	58.7
168.07388	1.4
171.04359	0.9
173.05937	0.9
173.09627	0.8
174.06705	1.0
174.14047	0.8
175.07497	0.9
175.14775	1.7
177.05475	1.6
181.08577	2.5
184.05228	0.8
185.06100	0.8
187.07521	1.7
188.08304	1.1
189.05504	1.3
189.09102	3.9
189.16333	1.0
191.07050	0.6
197.05936	1.5
198.06720	1.1
199.03821	1.0
199.07578	1.1
201.05516	0.6
201.09198	1.2
201.16312	1.1
203.17958	100.0
204.07808	3.5
204.18309	6.5
205.08563	1.7
205.12296	0.7
209.09615	0.7
211.07491	1.5
213.05434	1.2
213.08994	0.9
214.06288	3.8
219.10161	10.4
220.08823	0.8
220.10892	0.7
220.46594	0.7
221.11754	7.6
224.08293	0.8
227.06932	3.0
228.07826	2.0
229.04904	1.1
229.08575	1.2
231.06429	3.3
237.09082	0.9
239.06989	0.8
241.05054	1.1
241.08510	1.7
242.05717	12.9
242.09456	1.1
243.06479	1.0
243.10014	1.4
244.07253	2.3
249.09045	0.9
251.10793	1.2
253.12282	1.3
254.09088	0.7
255.06519	1.5
256.07245	1.5
257.08096	4.2
258.08826	0.9
263.10696	1.4
264.11444	1.1
265.08585	2.6
266.09335	0.9
267.09912	0.7
269.08337	1.0
269.11658	1.7
270.05197	2.2
270.08783	0.8
271.05765	0.9
271.09604	3.0
272.10364	2.1
273.07538	1.1
275.09146	3.9
279.10294	0.9
280.10834	1.6
281.08475	1.0
281.11655	2.0
285.07614	19.3
285.10919	1.4
286.08081	1.3
287.05627	0.7
287.09067	1.2
288.09610	0.8
290.11646	1.0
293.07965	0.7
295.13306	3.5
296.14072	1.3
297.11163	1.8
299.09201	1.4
302.07880	0.9
303.08453	1.3
304.09308	1.2
308.10309	0.9
312.13693	1.5
313.10785	0.9
313.27313	1.6
314.27689	1.0
317.10233	11.6
318.10916	1.7
323.12689	1.4
324.13403	1.1
325.10706	1.1
325.14331	1.1
327.15955	6.1
328.16663	0.8
331.11792	1.0
335.25876	0.9
342.86960	0.7
355.15463	5.3
356.16003	1.2
359.18536	12.5
360.18890	0.9
382.84955	0.7
387.18015	51.1
388.18393	3.9
389.19501	5.7
493.38968	1.1
591.36542	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.6
57.07073	2.6
57.09970	2.0
61.20565	2.2
66.14098	2.2
66.27962	2.5
67.05502	6.7
79.05508	4.2
81.07058	6.3
87.08127	5.4
91.05479	5.3
93.07034	4.0
95.08600	13.3
96.37628	2.5
102.72695	2.3
103.88898	1.9
105.07032	21.4
107.08571	4.3
109.10121	4.3
114.06969	2.0
115.58447	2.0
119.08593	10.2
121.10149	6.6
121.54939	2.7
123.08129	3.7
133.10110	10.1
135.11769	2.8
147.11652	16.5
153.09436	2.2
159.08046	3.0
161.09637	2.8
161.13254	15.4
167.07031	68.8
171.07898	2.4
188.74684	2.4
189.09204	5.2
197.06117	2.6
203.17946	100.0
204.07761	3.8
204.18359	6.9
205.08638	5.0
219.10196	10.0
221.11768	7.3
227.07076	3.5
229.26839	2.8
231.06479	2.2
242.05728	9.3
243.06619	2.4
244.07349	3.3
257.08057	5.9
270.05215	2.6
271.06073	2.3
271.09485	3.8
281.11545	4.4
285.07617	24.3
285.10721	3.1
295.13257	5.7
297.11072	3.9
304.09445	2.5
317.10123	10.1
323.12772	2.6
327.15863	8.1
355.15295	3.9
359.18558	14.6
368.29233	3.1
387.17963	54.0
389.19531	7.3
491.25827	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.05503	2.0
57.07068	1.4
67.05505	3.2
68.32681	0.6
69.07066	1.8
69.07537	1.2
69.07934	5.3
78.04713	0.7
79.05494	1.6
81.07066	3.6
82.92055	0.6
83.08617	0.8
87.08107	2.3
91.05492	2.6
93.07034	2.5
95.04952	0.5
95.08621	6.8
95.94134	0.5
98.22570	1.3
101.05992	0.8
105.06371	1.3
105.07030	15.2
107.08580	2.3
109.06503	0.8
109.10149	2.5
119.08582	7.4
121.10124	6.6
123.04444	2.3
124.05183	1.1
129.07013	0.9
131.08551	1.4
133.10150	8.0
135.11650	1.1
139.07559	1.6
145.02791	0.7
145.10107	1.8
147.11685	11.5
149.27859	0.7
152.04651	0.8
155.06985	1.6
159.08055	2.0
159.11664	1.7
161.09642	1.4
161.13268	15.0
162.13673	1.2
167.07045	51.8
168.07379	1.5
169.06563	0.6
173.09544	0.8
175.14880	1.3
177.05476	3.4
178.05791	2.2
181.08582	2.0
187.07510	1.9
189.09143	2.2
199.07565	0.9
201.09117	2.1
203.17957	100.0
204.07809	2.4
204.18347	6.0
205.08553	1.2
213.05492	0.8
214.06180	1.8
215.06949	1.3
219.10143	9.2
220.10844	1.3
221.11719	5.5
222.41505	0.8
225.09033	1.0
227.06998	1.9
228.07762	0.9
231.06541	1.9
233.11658	0.9
237.09242	0.6
238.09995	0.7
239.07149	0.8
241.04811	0.8
241.08614	1.3
242.05721	6.6
243.06564	1.4
244.07399	1.2
253.08675	0.8
255.10139	1.2
256.07373	1.1
257.08069	2.5
263.10791	1.0
265.08536	1.2
267.06610	0.8
267.10141	0.9
269.11807	1.0
270.05203	0.8
270.08624	0.9
271.09601	2.4
272.10339	0.9
273.07407	0.6
275.09171	2.8
280.10849	1.7
281.11646	1.5
285.07590	14.5
285.10950	1.2
286.08228	1.4
286.11810	0.9
287.09036	1.1
288.10007	1.4
290.11755	0.9
295.13324	3.5
296.14014	1.5
297.11282	1.4
297.14594	0.8
299.09235	1.0
299.12772	0.9
302.07831	1.8
303.12341	0.9
312.13556	1.7
313.10605	1.2
313.27414	1.9
317.10217	14.0
317.13614	0.5
318.10840	1.9
323.12943	1.8
325.14221	0.7
327.15906	5.5
328.16263	0.8
331.11771	1.1
335.25784	0.9
341.14011	0.9
344.16205	0.7
355.15442	5.7
356.15948	1.6
359.18552	15.7
360.18887	1.6
387.18018	62.6
388.18137	5.1
389.19495	5.6
506.39127	1.4
562.08179	0.7
591.36682	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.05518	17.5
55.98547	2.0
57.03443	14.8
57.07079	55.3
62.44807	1.8
65.03916	2.1
67.05505	74.2
69.07072	18.8
71.08635	33.3
79.05493	43.5
81.07058	84.5
81.07523	4.6
81.96887	2.1
83.08623	17.7
85.03612	2.0
85.10184	15.9
91.05476	25.3
93.07050	55.2
95.08610	72.6
97.06548	3.1
97.10184	7.4
99.08096	3.1
105.07020	20.3
105.20873	2.0
107.08598	37.4
109.10162	30.6
111.11694	2.7
117.07025	10.0
119.08586	13.8
121.10132	24.5
123.11722	15.4
131.08543	15.7
133.10146	13.8
135.11711	22.8
137.13269	6.7
139.64960	2.1
145.10103	9.9
147.11707	8.4
149.13223	15.7
153.12828	2.4
159.11696	11.5
161.13301	6.3
163.14827	9.0
173.13269	10.5
175.14880	3.0
177.16411	4.1
187.14857	6.0
233.22731	3.1
239.23601	4.9
243.21094	14.1
257.24780	4.0
261.22147	74.2
262.22369	4.7
279.23288	3.7
281.48331	2.2
313.27365	100.0
314.27737	7.1
317.24689	12.9
335.25821	62.3
336.26462	4.3
338.06381	2.0
356.47141	2.3
362.08273	1.9
480.31348	2.2
573.48615	18.1
591.49585	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.5
55.01849	1.6
55.05265	2.1
55.05513	20.4
57.03442	16.2
57.07078	51.1
59.97603	1.1
65.03945	3.0
67.05507	85.4
69.06724	1.9
69.07067	23.6
69.51464	7.9
71.04996	2.3
71.08241	1.9
71.08634	33.1
76.62383	1.0
79.05493	67.8
81.07058	85.6
82.07392	1.5
83.04999	1.9
83.08613	16.2
85.06532	4.7
85.10183	16.9
89.06048	3.1
91.05482	35.0
93.07043	69.5
94.07362	2.1
95.04967	5.4
95.08607	75.6
96.08962	1.5
97.06535	3.9
97.10194	6.9
99.08070	3.1
99.11710	1.9
105.04524	2.2
105.06374	2.2
105.07033	30.0
106.07355	3.4
107.08594	37.0
108.08921	2.0
109.06541	2.3
109.10159	27.0
111.08115	1.2
113.09598	2.2
115.05466	1.1
116.16052	1.2
117.07004	9.5
119.08572	17.2
121.10141	27.8
123.08040	2.6
123.11707	9.7
125.09697	1.8
131.08574	20.2
133.10121	14.4
134.10449	1.5
135.11693	19.2
136.12019	1.9
137.09654	1.4
137.13258	4.4
137.69383	1.2
139.11113	1.5
145.10118	16.4
147.11693	10.5
149.09555	1.6
149.13243	14.7
151.14839	2.9
159.11699	11.0
161.13287	9.0
163.14812	13.3
165.12704	1.5
167.07079	1.7
173.13252	11.0
175.14836	3.2
177.16370	4.8
187.14842	6.9
191.14293	1.6
201.16446	2.0
203.17972	4.5
204.18269	2.9
233.22701	3.6
239.23703	6.0
243.21066	24.5
244.21474	1.6
251.66533	1.3
261.22144	57.1
262.22510	5.0
276.43903	1.3
277.01968	1.2
290.70264	1.4
299.23468	1.5
313.27365	100.0
314.27798	6.8
317.24716	10.5
335.25800	65.0
336.26132	5.4
356.15790	3.7
357.16229	1.4
387.18134	2.2
499.44870	2.6
573.48724	20.5
574.48914	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.6
53.26485	3.4
55.05513	18.7
57.03440	11.4
57.07075	34.3
67.05505	48.4
69.07060	18.1
69.15212	19.9
69.15634	11.5
69.75256	3.4
71.08633	30.6
78.55303	3.4
79.05489	39.7
81.07063	62.9
83.08613	16.5
85.10170	15.5
91.05480	24.9
93.07048	42.4
95.08592	56.3
97.10157	5.3
98.22643	9.7
105.07037	15.7
107.08602	29.5
109.10141	21.3
110.26328	3.7
117.07033	6.0
119.08572	11.0
121.10110	20.2
122.10512	5.3
123.11713	12.7
131.08566	9.1
133.10071	4.4
135.11716	22.0
145.10101	8.5
147.11758	7.9
149.13277	15.3
151.14914	4.5
159.11664	10.7
161.13179	7.5
163.14787	12.2
173.13272	8.7
175.14917	4.2
177.16402	5.6
203.17982	7.8
239.23816	7.7
243.21100	16.9
261.22147	50.3
301.34720	4.4
313.27371	100.0
314.27621	6.6
317.24744	9.1
335.25809	53.0
387.18051	16.0
493.39200	5.3
573.48688	15.0
591.48975	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.4
51.88023	0.8
52.12986	0.7
53.03959	0.8
55.01883	1.6
65.03945	1.6
67.05505	1.8
68.99794	6.4
71.29540	0.8
77.03936	2.5
81.03446	0.9
91.05480	1.1
95.04982	2.5
96.04466	1.0
103.05508	1.1
105.03426	2.3
105.07060	0.8
107.04984	0.8
109.02887	1.3
111.00823	2.1
111.04472	1.9
114.05538	2.9
115.05464	2.5
117.03377	0.9
119.04971	1.3
121.02849	1.8
121.12809	0.7
123.04440	85.3
124.04768	1.7
127.03934	2.5
129.07088	0.9
131.04964	2.3
133.02867	1.5
135.04437	4.1
137.02377	3.0
139.03902	14.1
140.04237	1.9
147.04419	9.8
148.33357	0.8
149.02385	2.9
149.06006	1.2
150.03128	4.0
151.03903	5.4
153.01898	1.3
155.03404	0.9
155.04970	1.7
157.06453	1.8
159.04489	2.1
161.06012	2.9
163.03903	14.4
165.01865	1.4
165.05548	1.2
167.03445	3.0
169.06560	0.9
171.04407	6.4
173.05956	2.2
175.03925	7.9
177.05461	6.3
179.03439	7.7
183.04411	1.5
185.05959	2.2
187.03925	5.3
189.05499	5.3
191.03441	2.5
193.05017	2.9
197.06136	1.1
199.03951	6.9
200.04466	1.4
201.05438	4.4
203.03392	12.4
205.04924	1.4
206.08153	0.8
211.03970	1.0
213.05432	4.3
215.03380	1.7
216.04285	2.4
217.04962	11.0
219.02924	1.2
225.05544	1.3
227.03326	1.2
229.04942	5.8
231.06482	1.9
233.04344	0.9
237.05519	2.0
241.04919	4.5
243.02916	1.2
244.03622	1.3
245.04460	100.0
246.04782	5.3
247.05881	4.7
253.04991	2.7
255.06435	1.1
257.04431	7.0
258.05219	1.4
259.06128	2.9
261.03830	1.0
265.05042	1.4
269.04428	6.3
271.06082	2.4
273.04041	2.1
279.06531	1.5
281.04587	2.7
282.05087	1.0
283.06085	2.6
285.03928	7.9
287.05466	11.8
289.07309	1.3
291.06537	2.2
293.04477	1.0
295.06088	2.0
299.05453	1.9
303.04941	4.0
305.08063	1.1
307.06094	1.8
309.03992	1.4
311.05563	1.0
315.05148	1.3
321.07507	1.2
327.04932	1.5
331.06058	0.9
337.06711	1.6
349.07062	2.6
353.06628	1.6
361.06949	1.7
363.05042	1.2
365.06586	3.2
367.08038	1.4
377.06683	4.8
379.08160	1.9
380.93198	0.9
387.05170	1.0
389.06543	2.6
391.08142	1.4
394.32443	0.8
395.07751	4.7
405.06046	9.3
406.06253	1.0
407.07605	29.5
408.07935	2.7
409.09030	1.6
417.06308	1.5
419.07651	5.8
423.07172	3.0
425.08621	2.8
435.07169	2.4
437.08731	2.3
441.08078	1.2
453.08218	0.9
529.10907	1.3
539.09851	4.9
557.10980	4.9
575.12085	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93489	1.7
55.01852	2.6
55.05513	2.1
62.22515	1.9
67.05504	7.0
69.03407	3.5
69.09805	5.6
69.10218	11.2
72.28540	1.9
76.18871	1.8
79.05486	7.6
81.07053	20.7
83.04982	3.6
90.52451	1.8
91.05476	9.7
93.07037	6.3
95.04976	5.7
95.08614	11.5
97.02905	6.0
97.06532	4.1
99.04430	3.5
105.07040	8.2
105.39494	1.8
107.08597	5.5
109.06521	14.6
111.04427	4.3
115.05432	2.1
117.07042	4.5
119.08579	7.2
121.06499	7.1
121.10165	3.4
123.08068	11.3
129.07022	2.8
131.04929	6.4
131.08556	6.8
133.06482	5.1
133.10118	3.8
135.08063	4.0
137.05981	29.5
143.08566	7.3
145.06505	19.8
145.10123	4.2
147.08052	9.8
149.05977	4.5
149.09683	3.0
151.07524	9.4
155.08545	4.8
156.09280	2.3
157.06502	2.6
157.10165	3.4
159.08049	12.6
161.06046	4.3
161.09645	3.9
163.07500	2.5
165.06982	3.5
165.09065	5.2
167.07100	2.9
167.08487	2.6
169.06360	2.9
169.10129	4.8
171.08000	10.4
173.05971	2.3
173.09633	7.6
175.07544	3.5
177.09100	3.6
179.08527	3.4
181.08647	2.2
181.10155	4.6
183.08081	8.4
185.05975	3.7
185.09639	4.9
187.07599	4.2
193.08595	2.4
193.10170	6.2
195.08093	4.6
197.09622	5.5
199.07570	2.2
203.08606	2.7
203.10606	3.0
205.10132	4.3
207.11678	5.0
209.09552	5.4
209.13239	3.2
211.07368	2.1
211.11113	5.1
213.05257	2.3
213.09004	2.3
215.10669	2.1
217.10207	3.4
220.08694	3.1
221.09590	6.2
223.11203	3.5
225.09200	3.6
232.08740	2.0
232.12404	3.7
233.09599	4.1
233.13235	3.3
234.10167	2.1
235.11215	11.3
237.12750	3.4
239.10512	2.5
241.12167	2.7
243.10028	3.3
245.09576	4.4
246.10280	2.0
247.11205	4.5
247.14853	3.0
249.12791	4.4
251.10657	3.9
251.14354	5.2
253.12250	4.4
253.16180	2.5
257.13312	2.2
259.11301	2.5
260.11859	3.0
261.12759	3.9
263.10657	8.0
263.14316	3.5
265.12152	2.8
273.12802	2.1
275.14307	8.3
277.12225	2.8
279.13910	3.4
281.11743	8.3
283.13080	2.8
285.11099	4.1
293.15262	4.9
295.13330	2.6
299.12830	6.7
303.13708	5.4
305.11786	2.3
311.16718	2.8
313.15717	2.7
316.34714	1.9
317.15451	2.2
321.14862	3.3
339.16199	2.9
345.14587	2.7
359.16107	2.7
363.15793	3.4
373.17999	3.2
377.17490	2.3
381.16998	4.2
391.19031	6.7
401.17459	10.3
409.20029	5.2
417.20563	6.4
419.18579	43.8
420.18964	3.9
433.19949	2.4
435.21759	3.4
437.19589	100.0
438.19821	11.2
443.18173	3.7
453.22803	2.1
455.20847	9.8
461.19543	16.6
461.92062	2.1
462.19617	2.6
463.45056	1.8
479.20593	28.4
480.20892	3.9
497.21655	25.8
498.22101	3.1
515.22491	3.7
521.21814	2.6
539.22211	2.2
557.23499	7.2
584.30273	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45980	1.9
53.03932	3.1
55.05519	2.4
62.82048	1.9
67.05505	7.0
67.41335	1.9
69.03435	4.6
69.37984	5.1
69.38389	11.1
79.05495	6.7
81.07063	18.3
83.04959	3.6
91.04940	2.0
91.05492	7.4
93.07040	8.9
95.04968	6.1
95.08605	15.6
97.02913	8.6
97.06596	2.6
98.23451	2.3
105.07029	6.9
107.08579	6.5
109.06525	15.2
109.10168	2.2
111.08094	2.5
117.07019	3.2
119.08584	7.5
121.06519	4.5
123.08070	16.0
125.09689	2.8
128.06204	3.5
129.07027	3.7
131.04942	6.7
131.08569	7.7
133.06502	5.2
133.10107	3.4
135.08051	7.5
137.05978	26.8
141.07045	3.5
143.08542	6.6
145.06467	16.0
145.10074	7.6
147.04439	2.6
147.08040	9.9
149.06013	6.5
151.07576	5.0
153.06892	2.2
155.08559	7.3
156.09270	2.7
157.06482	4.2
157.10164	5.6
159.06905	2.4
159.07942	10.5
161.06010	3.0
161.09601	4.9
163.07539	4.2
165.07077	3.9
165.09105	3.6
167.08562	2.5
169.06413	4.3
169.10150	3.8
171.08047	11.7
173.06056	5.1
173.09628	6.6
175.07468	5.0
179.08496	6.6
180.09343	2.1
181.10143	4.1
183.08073	9.1
183.11642	2.6
185.05946	2.9
185.09555	5.7
185.29811	2.5
187.07561	5.2
192.09349	4.2
193.10185	3.1
195.08051	4.9
195.11543	3.6
197.09653	6.0
199.07526	2.6
201.09116	3.8
203.08635	2.9
205.10117	3.9
206.10973	3.2
207.11713	5.4
209.09618	6.4
209.13423	2.8
211.11194	5.1
213.09206	3.4
217.10141	4.5
219.08008	3.0
219.11789	3.2
221.09563	4.7
221.13252	2.7
222.10214	2.4
223.11139	2.9
225.12784	4.5
231.11755	2.6
233.09583	4.8
233.13287	4.4
234.10428	5.1
235.11172	10.0
236.11891	3.0
237.08920	3.9
237.12936	3.8
239.10707	4.8
243.10078	3.2
245.09450	3.1
245.13484	2.6
246.10460	3.4
247.11227	4.2
247.14914	2.9
248.11722	2.4
249.12698	5.0
251.10622	2.8
251.14169	4.2
253.12212	5.4
260.11932	2.6
261.12668	5.5
263.10690	8.5
263.14050	3.1
264.11417	2.4
275.14282	11.6
279.13953	3.9
281.11896	5.2
282.12415	2.7
283.13461	3.8
293.15286	5.9
295.13284	4.9
299.12796	4.4
303.13818	10.3
307.58926	2.2
321.14789	5.0
339.15979	5.4
373.18103	3.6
381.17041	3.6
391.18964	8.5
399.18036	2.6
401.17447	9.3
409.20001	6.3
417.20786	4.3
419.18500	46.3
420.18985	2.7
433.19757	3.9
435.21655	7.7
437.19556	100.0
438.19897	9.2
443.18515	6.5
453.22693	2.7
454.22369	2.5
455.20703	7.0
461.19589	17.0
479.20578	32.2
480.20926	4.1
497.21692	47.1
498.22150	3.6
515.22632	4.8
539.22736	5.0
557.23828	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03786	5.0
67.05508	18.6
68.77495	5.5
69.43962	28.7
79.05515	7.1
81.07071	21.9
83.04987	7.0
85.06547	28.8
91.05518	7.8
91.38638	6.1
93.07055	10.9
95.08623	11.7
97.02905	5.1
98.23468	5.8
99.04468	6.7
105.07032	11.0
107.08593	17.3
109.06500	23.6
109.10133	7.6
113.06042	17.1
117.07031	7.8
119.08594	19.4
121.06535	8.6
121.10142	6.8
123.08057	7.4
129.06998	5.7
131.08546	11.2
133.10165	8.9
135.08034	7.5
137.05991	19.1
142.07838	6.2
143.08591	21.1
145.10117	12.1
147.11723	6.0
149.09619	12.0
155.08629	14.5
157.10185	19.0
159.11699	7.2
161.09602	10.1
163.36690	5.1
169.10191	23.2
171.08041	5.6
171.11693	8.6
175.11195	10.9
179.08643	7.5
181.10172	17.3
183.11736	10.2
187.11139	7.1
193.10294	7.7
195.11739	13.8
197.13364	8.9
202.81229	5.5
207.11697	10.4
209.09673	6.4
209.13161	8.2
211.14828	6.0
213.12831	6.9
219.11786	8.9
221.13322	5.9
223.14856	7.6
225.12811	10.7
233.13361	8.3
235.14951	8.2
236.25298	4.7
237.16408	14.2
239.14069	4.8
243.13869	7.0
247.14854	14.2
249.16383	7.8
251.90425	4.9
261.16287	8.5
263.14514	6.3
263.17874	5.6
265.15918	15.6
267.17422	9.0
277.19427	5.0
279.17599	8.0
280.26276	8.2
289.16183	6.5
295.17328	5.4
295.20709	5.7
302.72720	5.6
307.20566	5.3
323.19943	8.1
341.17548	11.2
343.19104	8.0
393.24594	6.4
403.22604	9.8
417.24231	8.5
419.22247	7.1
421.23691	61.1
421.28699	8.2
422.24121	8.7
427.24908	20.8
433.23898	11.4
435.25171	36.2
437.23242	15.0
439.24887	100.0
440.25159	13.8
451.24847	26.0
455.24298	29.7
461.23328	8.7
469.25961	39.9
479.24252	10.5
497.25345	46.1
515.26453	70.4
516.26172	6.3
557.27338	11.0
593.24854	41.1
616.98761	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17952	1.0
53.03943	1.6
54.19588	1.0
55.01860	2.7
55.05507	13.7
67.05502	4.5
69.03429	3.1
69.07047	1.5
69.25558	4.5
69.25968	3.2
71.04992	2.5
76.48522	1.1
79.05493	4.8
81.07062	11.5
83.04982	44.2
83.08587	1.6
85.06535	1.6
91.05471	22.0
93.07037	7.7
95.04972	5.2
95.08607	4.0
97.02905	5.5
97.06574	1.3
99.04451	5.0
99.08094	1.9
101.87733	1.0
102.84876	1.0
105.07031	12.2
107.08596	14.1
109.02844	1.6
109.06518	19.1
109.10165	2.2
111.04440	4.4
111.08091	5.1
115.05458	7.1
117.07011	14.7
119.08588	15.0
121.06485	3.6
121.10154	3.9
123.08069	2.8
129.07005	3.4
131.08553	9.4
133.06487	1.7
133.10104	6.9
135.08057	12.1
137.05992	10.3
141.06999	2.1
142.07761	2.0
143.08588	8.5
144.09338	1.2
144.70732	1.1
145.06477	29.2
145.10133	12.2
147.08044	19.3
147.11668	2.8
149.09610	1.6
151.07550	3.1
153.06990	1.6
155.08562	7.1
156.09357	2.3
157.10123	11.3
159.08075	4.0
159.11678	6.3
161.09616	3.9
163.07529	16.7
165.07037	2.0
165.09123	2.0
167.07227	1.4
167.08473	2.1
168.09302	1.3
168.45215	1.1
169.10121	12.3
171.08095	2.0
171.11710	7.8
173.06062	6.0
173.09613	6.3
173.13324	4.2
175.11209	4.0
177.08995	1.6
181.10103	4.4
182.10977	1.7
183.11685	6.5
185.09665	3.1
185.13251	4.2
187.11223	5.2
191.07019	2.8
192.09335	2.6
193.10150	2.5
195.11739	4.2
196.12456	2.0
197.09630	1.5
197.13275	3.1
199.11186	4.5
199.14795	3.3
201.09201	1.6
201.12753	3.6
201.16405	4.3
207.10059	1.4
207.11763	2.3
208.12578	1.5
209.09808	1.5
209.13210	8.5
211.11282	2.5
211.14821	18.0
213.12732	2.9
215.10698	2.5
215.14377	2.2
221.13225	1.3
223.11307	1.6
223.14832	2.3
225.12744	1.8
225.16362	2.6
227.14336	3.9
228.14967	1.5
229.15875	57.8
230.16222	4.0
235.14870	2.3
237.12701	1.8
241.12190	1.6
245.13063	1.6
247.14792	2.7
253.15849	1.7
257.33551	1.3
263.14377	1.1
265.15973	1.7
265.19485	2.1
269.15521	2.0
271.16968	5.9
281.15332	1.3
283.17123	1.9
283.20364	1.8
289.18008	2.6
293.18918	3.8
311.20032	29.5
312.20355	1.5
329.21219	2.5
335.19888	1.4
339.19449	1.7
353.21426	2.0
371.22055	8.8
401.21167	2.2
419.22360	6.1
431.24298	49.8
432.24600	4.9
437.23206	22.0
438.23151	1.6
453.26828	1.4
455.24237	5.0
461.23505	1.4
479.24121	7.5
497.25327	93.9
498.25659	8.6
501.65958	1.5
515.26190	2.7
557.27448	100.0
558.27759	11.8
592.30707	4.5
593.23969	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57954	1.4
51.88846	1.3
53.03942	1.8
55.01875	2.2
55.05517	3.4
65.03947	1.5
67.05512	7.5
69.03446	4.6
69.07072	3.4
69.27124	1.5
71.04980	1.9
73.72223	1.3
76.00256	1.5
79.05493	13.4
81.03405	2.0
81.07060	62.3
82.07403	2.2
83.04964	4.6
83.08638	3.7
85.02917	1.8
91.05499	7.2
93.07047	7.2
95.04985	4.3
95.08611	6.4
99.31084	1.6
104.51624	1.4
105.07021	10.7
107.04980	1.7
107.08598	5.2
109.06525	35.5
109.10185	4.2
110.06895	1.9
111.04439	3.2
111.08066	1.9
117.07050	2.1
119.08615	7.8
121.10128	2.9
123.08087	3.0
129.07036	5.4
131.08572	5.6
133.10121	4.7
135.08083	3.5
137.05977	74.3
137.09558	2.5
138.06282	2.0
142.07870	1.7
143.08585	5.1
145.10127	6.6
147.08026	8.1
147.11671	2.4
149.09633	2.2
151.07451	1.5
155.08534	3.2
157.10109	5.5
159.11763	2.1
161.13206	2.7
163.11250	2.3
163.26035	1.6
165.06883	1.6
167.08603	2.6
169.10089	2.7
171.08083	1.8
171.11728	4.6
173.09583	2.7
175.07547	3.5
175.11153	2.1
175.40446	1.3
181.10066	2.8
183.11726	5.1
185.09569	2.6
187.11064	1.6
189.12779	2.4
191.07080	1.6
193.10191	2.5
195.11774	3.2
196.12520	1.6
207.11635	3.5
209.13368	1.9
211.11165	1.9
211.14954	1.7
213.12686	1.6
221.09773	2.3
221.13351	2.7
235.14977	2.1
238.61592	1.5
245.75114	1.5
249.16298	1.7
265.15863	2.5
266.16678	2.1
267.17477	5.5
268.18115	1.6
272.15729	1.6
325.17957	2.2
343.19080	12.2
403.22653	19.9
404.23151	3.1
407.64307	1.8
410.99683	1.7
415.22806	1.8
421.23755	100.0
422.24170	10.1
433.23755	2.7
439.24890	2.6
451.24670	10.0
455.24347	2.2
461.23370	4.6
479.24289	22.1
481.25693	2.9
497.25363	2.5
514.25073	4.4
550.21649	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43056	0.6
53.83074	0.6
69.81691	0.6
69.95177	2.5
80.18898	0.6
96.21278	0.6
98.23287	0.8
105.97591	0.7
109.89484	0.6
118.74065	0.7
135.16418	0.6
140.47792	0.6
143.33701	0.6
148.93967	0.7
166.95041	0.7
227.02509	1.0
250.97188	100.0
251.97491	3.0
303.04202	0.9
371.06354	0.8
381.07858	7.1
419.03354	0.8
419.08777	1.5
437.09622	1.1
473.11154	0.8
533.11871	1.0
535.07037	0.7
593.13196	1.3
593.21582	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.5
53.03947	1.3
55.01866	3.8
65.03928	2.3
66.69438	0.9
67.01849	1.6
67.05504	1.6
68.99783	7.9
69.43580	6.4
70.06579	4.0
74.96895	0.8
75.15748	0.9
77.03954	2.3
79.05479	1.3
81.03426	1.2
85.02888	1.4
87.28988	0.9
89.03916	2.0
91.05496	2.4
93.03370	1.7
94.04173	2.3
95.04968	2.9
96.03927	1.6
96.04473	8.4
103.05494	2.0
105.03391	4.2
107.04932	1.1
107.87369	0.9
109.02879	1.6
111.00786	4.2
111.04449	2.9
114.05529	23.6
115.05869	3.2
117.03363	2.4
119.04949	2.7
121.02874	2.0
121.06520	1.8
122.03666	3.5
123.04424	100.0
124.04710	2.2
127.03912	9.5
131.04951	2.5
135.04416	6.9
137.02319	5.2
137.05974	48.1
138.06325	1.3
139.03900	21.7
141.12746	1.1
144.08087	1.2
145.02847	1.9
145.06459	1.9
147.04393	11.1
149.02371	6.4
149.05972	41.2
150.06273	1.9
151.03911	16.4
153.01854	5.7
153.05511	1.4
155.03386	23.7
155.04701	1.4
155.62978	1.1
159.04417	3.6
161.06003	2.6
163.03915	15.0
165.01865	3.2
165.05478	8.2
167.03406	8.3
173.05920	2.1
175.03876	4.9
175.07391	1.0
177.05461	87.6
178.05832	6.9
179.03374	10.8
181.04938	1.9
183.04445	1.9
185.05934	1.4
187.03873	2.7
189.05475	3.8
191.03401	12.9
192.03853	1.1
193.01332	2.6
193.04893	4.8
197.05980	2.2
199.03920	1.1
200.04755	1.0
201.05417	7.4
202.06090	0.9
203.03397	10.9
205.01338	1.1
205.04916	4.9
207.02808	5.0
213.05470	2.3
215.03310	4.8
215.07016	2.1
217.05013	5.5
219.02866	3.2
225.05353	1.3
229.04967	9.0
229.08597	1.3
231.03012	2.6
231.06450	1.8
233.04369	5.6
241.04895	1.7
243.02957	1.9
243.06491	1.7
245.04408	15.1
245.08199	1.4
247.05992	4.3
251.05441	1.5
253.04913	2.4
255.02931	1.9
256.69916	1.0
257.04437	12.5
257.07767	2.4
258.05087	2.4
259.05975	2.4
261.04089	7.6
261.07538	15.9
269.04404	4.3
270.05063	1.3
271.02536	1.3
271.06042	3.9
273.03946	18.4
273.07507	9.4
275.05475	14.9
281.04388	1.2
282.05191	1.4
285.04031	3.7
285.07590	12.7
287.05487	29.2
287.08679	1.7
289.03400	6.8
289.06534	2.3
291.04971	6.1
291.08591	5.5
297.04282	1.6
297.07617	6.0
299.05557	6.8
301.03397	8.0
301.06595	1.4
303.04999	73.6
303.08502	8.5
304.05420	2.7
307.08105	4.2
309.03748	1.0
313.03516	2.3
315.04926	4.6
315.08612	5.5
319.04507	3.7
329.10202	2.7
330.10480	3.8
331.04514	2.4
381.09753	1.2
395.07697	1.9
405.06064	2.4
409.09222	9.8
423.06732	9.8
423.10815	13.3
425.08493	4.4
427.10376	2.6
430.14816	2.3
431.15240	5.1
435.07108	2.7
441.08197	10.2
453.07922	4.4
471.09134	1.3
511.94476	1.2
526.08398	1.1
530.72675	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
56.46570	0.2
56.96548	0.3
65.03952	0.2
68.99464	0.3
68.99798	1.3
71.29566	0.3
77.03918	0.4
79.01884	0.3
81.03374	0.3
86.37089	0.2
95.04955	0.3
105.03405	0.3
107.04951	0.4
109.02851	0.3
111.00785	0.8
111.04486	0.3
114.05569	0.3
119.04969	0.4
121.02874	0.5
123.04430	10.2
124.04727	0.3
127.03918	2.7
129.73328	0.3
131.04921	0.5
133.02931	0.3
135.04431	1.1
137.02345	0.8
137.05952	2.1
139.03899	3.3
145.06482	0.3
147.04411	1.4
149.02310	1.2
149.05946	0.9
150.03102	0.4
151.03879	1.9
153.01823	7.6
153.02856	0.4
155.03391	0.6
155.04819	0.3
157.06505	0.3
159.04422	0.5
161.05989	0.4
163.03903	1.9
165.01799	0.7
165.05470	0.7
167.03485	0.2
171.04462	0.4
173.06004	0.6
175.03908	0.6
177.01840	0.6
177.05502	2.5
178.05772	0.2
179.03427	1.2
183.04401	0.5
185.05933	0.2
187.03882	0.8
189.05460	0.6
191.03351	1.8
192.00781	0.2
193.04884	0.4
199.03949	0.3
201.02185	0.3
201.05458	1.0
203.03430	0.8
205.04941	1.6
210.02017	0.5
211.03917	0.3
213.05531	0.5
215.03369	1.1
217.04973	0.4
219.02855	1.4
220.36089	0.2
229.04955	2.7
233.04549	0.6
234.92059	0.3
237.03903	0.5
239.03188	0.3
241.05052	0.3
243.02921	0.4
243.06422	0.4
245.04471	1.1
247.05977	1.4
257.04404	2.5
259.05908	0.2
261.04056	1.6
261.06531	0.3
263.05548	0.3
267.03046	0.3
269.04504	0.5
271.05984	1.2
273.03976	0.8
273.07458	0.4
275.05484	1.3
285.03943	1.1
285.06860	0.4
287.05499	1.5
289.07034	0.4
291.08646	0.4
297.04022	0.4
299.05606	0.4
303.04980	100.0
304.05338	4.6
315.05023	2.1
316.05151	0.4
327.04950	1.0
351.04941	0.6
401.08911	0.4
405.06223	0.3
407.07346	0.3
423.06998	0.8
435.06921	1.8
441.08130	10.3
442.08414	1.0
449.08698	0.3
453.08133	4.6
454.08508	0.3
557.11029	0.4
575.11597	0.6
593.14307	1.7
593.23047	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11271	1.6
56.18695	1.4
57.03438	2.0
71.05000	8.8
71.31805	1.4
73.02916	8.5
79.05486	2.5
82.05248	1.5
83.05018	2.0
84.29501	1.7
85.02909	11.2
86.84592	1.8
97.06555	1.9
98.23460	3.2
103.03989	1.8
110.63054	1.6
111.00779	1.5
112.67399	1.7
115.52755	1.7
121.10123	1.7
124.47923	1.6
127.03905	2.4
137.02356	3.1
137.06056	2.4
137.27805	1.5
145.14413	1.7
153.01849	4.9
161.88341	1.7
165.01839	2.2
224.95349	1.6
229.04959	4.1
229.32614	2.0
233.15199	2.8
257.04694	1.7
257.08374	2.2
287.05505	5.9
303.04993	100.0
304.05228	7.3
315.04865	1.8
369.74728	1.7
419.11575	2.1
516.28418	1.8
522.18304	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1502
Annotation	Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
55.01873	11.2
55.05503	4.7
57.03433	14.8
59.05006	1.9
61.02922	9.6
62.71994	1.6
66.12541	1.6
67.05506	3.5
68.99804	1.9
69.03436	19.1
69.30948	2.2
69.31279	12.7
70.32733	1.4
71.01361	3.6
71.04995	11.1
73.02922	32.3
79.05482	3.7
81.03403	5.5
83.04984	23.0
83.26325	1.6
84.86015	1.6
85.02908	44.0
85.03413	1.4
87.04448	3.5
95.04962	4.2
97.02895	42.4
97.06533	1.7
98.03200	2.5
99.04462	4.2
107.04938	2.5
109.02859	2.3
111.04445	14.0
115.03934	36.0
119.08642	1.9
121.02856	10.5
123.04474	2.3
125.02335	7.1
127.03915	3.0
129.05467	7.8
133.04973	8.6
135.04474	2.0
137.02391	1.8
137.05995	3.1
139.03928	8.5
143.03407	2.4
147.06462	2.1
151.03944	2.9
152.33379	1.7
153.01820	3.9
153.05437	3.1
157.05003	2.8
160.07587	2.0
163.03996	2.0
165.01909	3.7
175.06033	25.2
175.07465	3.0
181.04994	5.6
193.05002	3.5
199.06013	2.5
217.07103	5.5
225.07471	8.5
233.72151	1.8
253.07094	2.0
271.08145	10.6
287.05508	100.0
288.05930	5.2
289.09116	1.8
299.05527	16.8
311.05453	4.9
313.07071	3.0
317.06741	1.8
329.06506	13.7
337.07031	10.2
358.94110	1.9
360.61740	1.8
365.06577	22.6
383.07584	14.7
419.11398	2.0
443.09659	2.5
461.11240	3.9
593.20264	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.1
64.00352	0.8
65.03938	1.8
65.67417	0.7
67.05497	1.5
68.99789	5.3
69.14558	1.3
69.14959	5.2
70.06578	3.9
77.03884	0.8
79.05506	0.8
81.03427	1.6
83.01354	1.2
85.02906	0.9
89.03931	3.0
91.05487	2.5
93.03414	1.2
94.04206	1.8
94.63080	0.9
95.04971	2.1
96.04512	1.5
103.05442	1.2
105.03442	2.0
107.04985	1.3
109.02889	1.6
111.00812	3.3
111.04456	2.3
114.05517	3.7
117.03434	1.4
119.04928	2.2
121.02878	1.6
121.06511	1.5
122.03680	4.8
122.04446	0.8
123.04428	52.9
124.04772	1.9
127.03918	8.3
131.04921	2.0
132.28769	0.9
134.03600	0.9
135.04414	7.4
137.02364	3.3
137.05969	50.2
138.06346	1.1
139.03891	25.7
140.04242	1.4
144.08072	6.8
145.02798	0.8
147.04391	8.7
149.02310	4.4
149.05975	62.5
150.06367	1.4
151.03902	18.2
151.05069	1.4
152.04208	0.8
153.01834	2.4
153.05542	0.9
155.03369	7.9
159.04414	1.8
161.05966	2.9
161.10776	1.2
163.03897	12.2
165.01909	1.6
165.05453	6.5
167.03403	6.8
169.06493	1.6
173.06029	1.3
175.03882	4.7
177.05461	100.0
178.05876	4.1
179.03403	6.7
183.04369	1.3
185.05949	1.5
187.03929	2.5
187.07571	1.7
189.05452	4.0
191.03378	16.3
191.06999	1.1
193.05028	4.1
197.06032	3.2
200.04688	1.1
201.05420	7.7
203.03381	11.0
205.05016	2.2
207.02965	1.9
207.06512	1.2
213.05467	2.1
215.03336	4.2
215.07091	2.0
217.05058	2.4
219.02965	1.4
219.06598	1.0
225.05502	1.1
227.03377	1.0
229.04980	7.9
229.08578	2.6
231.02885	1.3
231.06453	1.7
233.04463	5.6
241.05011	2.0
243.03000	1.2
243.06538	1.9
245.04439	12.6
246.04742	1.3
247.06032	3.4
251.05585	1.9
253.05070	2.0
255.06548	1.2
257.04486	12.1
257.08105	2.5
258.05084	1.6
259.06027	1.5
261.03989	1.9
261.07578	13.5
263.05533	1.9
265.05081	1.0
269.04507	3.7
269.07782	0.9
270.04993	1.0
271.06018	3.4
273.04178	6.6
273.07440	8.9
275.05487	21.6
276.05792	1.4
282.05121	1.2
285.04224	1.8
285.07541	14.6
286.07983	1.3
287.05502	26.7
288.05841	1.8
289.03516	2.6
289.07043	1.4
291.05338	1.3
291.08591	7.2
297.07529	4.2
299.05505	6.9
301.03510	1.6
301.07150	1.6
303.05005	16.9
303.08646	8.5
304.05392	1.3
305.06647	0.9
309.07449	0.9
311.05624	1.5
315.05069	2.4
315.08630	5.6
317.06647	0.9
319.04794	1.0
331.04773	0.7
405.06064	1.1
407.07745	1.0
409.09109	10.1
423.11212	21.2
424.11459	1.1
425.08505	2.6
425.13049	1.5
427.10013	2.1
431.14972	1.2
441.07919	3.3
575.11896	1.0
578.59906	0.8
593.16113	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.1
64.00352	0.8
65.03938	1.8
65.67417	0.7
67.05497	1.5
68.99789	5.3
69.14558	1.3
69.14959	5.2
70.06578	3.9
77.03884	0.8
79.05506	0.8
81.03427	1.6
83.01354	1.2
85.02906	0.9
89.03931	3.0
91.05487	2.5
93.03414	1.2
94.04206	1.8
94.63080	0.9
95.04971	2.1
96.04512	1.5
103.05442	1.2
105.03442	2.0
107.04985	1.3
109.02889	1.6
111.00812	3.3
111.04456	2.3
114.05517	3.7
117.03434	1.4
119.04928	2.2
121.02878	1.6
121.06511	1.5
122.03680	4.8
122.04446	0.8
123.04428	52.9
124.04772	1.9
127.03918	8.3
131.04921	2.0
132.28769	0.9
134.03600	0.9
135.04414	7.4
137.02364	3.3
137.05969	50.2
138.06346	1.1
139.03891	25.7
140.04242	1.4
144.08072	6.8
145.02798	0.8
147.04391	8.7
149.02310	4.4
149.05975	62.5
150.06367	1.4
151.03902	18.2
151.05069	1.4
152.04208	0.8
153.01834	2.4
153.05542	0.9
155.03369	7.9
159.04414	1.8
161.05966	2.9
161.10776	1.2
163.03897	12.2
165.01909	1.6
165.05453	6.5
167.03403	6.8
169.06493	1.6
173.06029	1.3
175.03882	4.7
177.05461	100.0
178.05876	4.1
179.03403	6.7
183.04369	1.3
185.05949	1.5
187.03929	2.5
187.07571	1.7
189.05452	4.0
191.03378	16.3
191.06999	1.1
193.05028	4.1
197.06032	3.2
200.04688	1.1
201.05420	7.7
203.03381	11.0
205.05016	2.2
207.02965	1.9
207.06512	1.2
213.05467	2.1
215.03336	4.2
215.07091	2.0
217.05058	2.4
219.02965	1.4
219.06598	1.0
225.05502	1.1
227.03377	1.0
229.04980	7.9
229.08578	2.6
231.02885	1.3
231.06453	1.7
233.04463	5.6
241.05011	2.0
243.03000	1.2
243.06538	1.9
245.04439	12.6
246.04742	1.3
247.06032	3.4
251.05585	1.9
253.05070	2.0
255.06548	1.2
257.04486	12.1
257.08105	2.5
258.05084	1.6
259.06027	1.5
261.03989	1.9
261.07578	13.5
263.05533	1.9
265.05081	1.0
269.04507	3.7
269.07782	0.9
270.04993	1.0
271.06018	3.4
273.04178	6.6
273.07440	8.9
275.05487	21.6
276.05792	1.4
282.05121	1.2
285.04224	1.8
285.07541	14.6
286.07983	1.3
287.05502	26.7
288.05841	1.8
289.03516	2.6
289.07043	1.4
291.05338	1.3
291.08591	7.2
297.07529	4.2
299.05505	6.9
301.03510	1.6
301.07150	1.6
303.05005	16.9
303.08646	8.5
304.05392	1.3
305.06647	0.9
309.07449	0.9
311.05624	1.5
315.05069	2.4
315.08630	5.6
317.06647	0.9
319.04794	1.0
331.04773	0.7
405.06064	1.1
407.07745	1.0
409.09109	10.1
423.11212	21.2
424.11459	1.1
425.08505	2.6
425.13049	1.5
427.10013	2.1
431.14972	1.2
441.07919	3.3
575.11896	1.0
578.59906	0.8
593.16113	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.05509	1.8
57.03428	0.7
66.46732	0.4
67.05507	2.9
68.65639	0.3
69.07066	1.2
71.05007	0.5
79.05486	3.3
81.03414	1.7
81.07061	3.3
83.05004	1.3
83.08640	1.0
85.02903	0.8
91.05480	1.9
93.07047	2.5
95.04987	1.3
95.08625	1.1
97.06533	0.7
97.10176	0.6
98.23328	1.3
105.07034	2.4
107.04940	0.9
107.08591	1.8
109.10152	0.9
111.04448	0.6
117.07006	0.9
119.08597	1.1
121.10159	1.3
123.08064	1.0
125.09660	0.7
130.08624	0.4
131.08600	1.2
133.10179	0.8
135.11684	0.5
137.09583	0.5
143.08563	0.5
145.10109	0.8
147.08104	0.5
147.11734	1.2
149.09633	0.4
157.10078	0.6
159.11687	0.4
161.09776	0.5
163.11302	0.5
175.11223	0.5
189.11156	0.5
193.12259	1.2
211.13402	1.1
227.12758	0.7
267.15860	0.7
273.18454	0.6
291.19687	1.3
359.83286	0.5
444.33768	0.4
533.22504	0.7
575.24023	1.7
593.25079	100.0
594.25378	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2753
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
75.78366	0.3
79.23864	0.3
98.23238	1.2
125.90708	0.3
162.02579	0.4
212.47697	0.3
219.72906	0.3
353.56583	0.3
387.15900	0.3
389.17447	0.9
391.19604	0.4
402.18439	1.0
403.19174	3.0
404.19849	1.0
405.20828	1.9
406.21237	0.3
415.19635	0.4
416.20047	0.5
417.16568	1.1
417.21646	2.5
418.21500	1.2
419.22452	3.3
429.16595	0.4
430.17920	1.2
431.18204	7.2
431.23822	0.5
432.18637	2.7
432.24396	0.5
433.24362	4.2
434.24680	1.7
440.23578	0.4
444.19687	0.7
445.19943	8.0
446.20749	4.7
447.21704	4.1
448.22354	0.7
458.77332	0.3
459.21631	2.6
460.22525	9.0
461.23160	6.1
462.23795	0.7
473.24036	1.5
474.23953	0.4
476.26022	0.8
477.22815	1.1
487.24860	0.8
489.26501	0.5
491.24622	0.6
492.25241	1.2
505.22064	5.2
506.22656	0.5
519.23248	0.7
533.25464	17.8
534.25903	2.5
563.22394	0.4
564.23547	0.6
565.28113	0.5
593.27545	100.0
594.27844	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30431	1.7
69.30836	0.8
98.22448	0.3
98.23011	1.5
104.89113	0.3
131.13206	0.4
137.55478	0.4
150.81636	0.4
159.20828	0.4
233.10872	0.4
387.15988	1.1
388.16974	0.5
389.17596	1.6
401.17776	0.9
402.18579	1.1
403.19211	4.5
404.19992	1.6
405.20758	2.0
414.19183	0.4
415.19562	0.8
416.19962	1.1
417.17099	1.1
417.21378	5.5
418.16516	0.5
418.21860	2.7
419.22238	4.6
420.22888	0.7
429.21115	0.5
430.17807	1.5
431.18076	9.3
432.18469	3.0
433.24152	9.5
434.24667	2.0
444.23718	0.5
445.19940	15.8
446.20789	6.3
447.21527	6.7
448.22327	0.6
459.21637	4.9
460.22568	16.5
461.23279	15.9
462.23831	1.1
473.23724	3.2
474.24057	1.6
475.21988	0.5
476.26062	2.2
477.23056	0.6
477.27005	0.6
487.24939	1.5
488.25699	0.5
489.26907	0.5
491.25314	1.6
492.25247	1.3
505.21875	5.1
506.22147	0.4
515.24841	0.6
518.23169	1.0
519.23926	1.1
533.25494	52.0
534.25818	6.4
563.23035	0.4
564.23566	0.7
565.28094	1.4
575.26538	0.7
593.27576	100.0
594.27881	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.9
52.77553	0.9
53.03947	8.2
54.92431	0.8
55.01871	16.7
55.05512	41.2
57.03434	13.9
57.07077	2.2
59.05005	1.9
60.49062	1.0
65.03944	4.4
67.05505	57.4
69.03431	8.3
69.07063	19.7
69.07413	1.5
71.01355	0.9
71.04989	8.5
71.31032	1.6
77.41423	0.9
79.05494	61.4
80.05832	1.2
81.03419	65.4
81.07055	100.0
82.03751	1.2
82.07398	2.5
83.04982	30.2
83.08617	33.1
84.05303	1.5
85.02905	23.1
85.06549	4.3
91.05481	57.1
91.66523	1.0
92.05815	1.1
93.07043	46.0
94.04173	1.3
94.07380	1.0
95.04358	2.2
95.04968	40.8
95.07985	0.9
95.08093	0.5
95.08604	25.0
97.02888	4.8
97.06528	13.5
97.10165	22.7
99.04450	5.0
99.08112	2.9
103.05478	2.2
105.07030	40.4
106.07349	1.1
107.04945	14.4
107.08595	32.7
108.08957	1.4
109.06525	12.8
109.10155	13.7
111.04444	23.0
111.08078	18.1
112.04777	1.0
112.08439	1.1
113.06014	3.4
115.05447	2.7
117.07015	11.3
119.04958	1.0
119.08577	32.6
121.06511	11.3
121.10139	21.5
123.04414	1.3
123.07161	2.1
123.08065	34.7
123.08924	2.0
123.11726	3.2
125.06010	1.5
125.09629	24.1
125.10536	1.5
126.09974	1.1
128.06281	2.2
129.06998	14.5
131.04909	1.1
131.08565	23.4
131.09499	1.7
133.06526	5.1
133.10136	15.7
135.08051	8.3
135.11691	11.5
137.05998	1.3
137.09596	7.7
139.11215	2.6
141.06973	1.4
142.07790	3.7
143.08537	4.9
143.10635	1.4
145.06459	1.8
145.10126	17.7
147.08063	11.7
147.11684	18.9
149.09616	10.7
149.13277	1.9
151.11194	2.3
153.09129	4.4
153.12746	8.4
155.08569	2.7
156.09334	1.0
157.10121	16.3
159.08047	1.3
159.11658	5.5
161.09618	5.2
163.11195	22.5
164.11446	1.4
165.09148	7.4
165.12762	3.4
169.10136	2.0
171.08064	1.1
171.10199	2.3
171.11700	4.8
173.09622	4.3
173.11829	1.1
173.13278	1.9
175.11163	15.9
176.11542	1.5
177.12758	2.0
179.10655	2.0
181.10062	0.9
181.10619	1.3
181.12218	12.3
183.11665	1.6
184.07388	1.1
185.13342	2.9
189.11224	27.2
189.12854	1.7
190.11607	1.2
191.10643	9.8
193.12238	47.3
194.12584	1.8
195.11725	1.6
198.96284	0.9
199.11275	1.8
201.12793	1.3
205.12299	1.5
207.13684	1.0
209.11736	4.0
211.13292	57.4
212.13641	2.5
223.13219	6.4
227.12770	23.4
227.17931	1.7
231.13728	1.1
237.16425	1.6
241.19615	1.7
245.18994	2.5
249.14925	2.3
255.17491	2.9
263.20209	2.3
267.15884	7.7
273.18491	25.3
274.18921	2.1
283.15375	3.6
285.16983	25.4
291.19531	64.8
292.19803	4.2
309.20657	3.8
313.21701	2.1
315.19647	1.1
331.22586	1.3
333.20786	1.5
333.24146	6.0
347.22058	3.4
361.73343	1.0
365.23245	17.0
366.23624	1.8
407.24347	1.7
429.57379	1.0
447.28619	1.2
465.29871	2.7
483.30951	1.8
501.32346	1.6
539.33392	1.9
557.34979	6.8
558.34821	1.0
575.35809	16.8
576.36102	3.4
593.27252	2.0
593.36792	17.3
594.36951	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
54.62176	0.8
55.05496	4.3
57.07078	2.5
57.33035	0.9
62.93106	0.8
67.05511	6.1
68.09057	0.9
69.07070	3.4
69.59306	4.2
71.08621	1.5
75.06016	0.9
79.05477	5.0
81.07051	7.4
82.07381	1.1
83.08620	2.3
91.05483	5.9
93.07052	5.3
94.07384	1.2
95.04967	0.9
95.08606	12.8
97.10163	2.5
98.22677	1.4
105.07030	20.5
105.07743	1.0
106.07415	0.8
107.08586	8.1
109.10132	5.3
117.07051	1.5
119.08574	16.1
121.10137	15.1
121.10909	1.5
122.10941	2.4
123.04448	1.4
123.08109	1.0
123.11736	2.8
129.07039	0.9
131.08621	1.5
133.10132	19.4
134.10915	2.6
135.11708	4.2
136.27663	0.9
143.08568	1.9
145.10141	2.8
146.30565	0.8
147.11687	16.8
148.12500	3.3
149.13269	1.8
159.11758	1.9
161.13242	17.1
167.07022	14.8
169.42642	1.0
171.11725	1.0
173.13335	0.9
175.11261	1.0
175.14838	2.4
181.08621	2.0
189.16386	7.9
195.10185	1.7
199.07463	1.5
203.17944	100.0
204.18617	11.6
220.40010	0.9
221.11745	2.0
226.06302	1.5
227.06985	4.4
235.13260	5.5
237.14963	1.7
241.08658	2.2
255.06554	1.9
259.09900	1.3
269.08026	1.5
283.15268	0.9
287.09174	2.5
288.09842	1.4
313.27499	1.7
314.27710	1.4
315.28094	1.0
319.11685	1.2
325.14557	2.6
357.17404	1.2
389.19656	6.9
391.21347	2.9
403.19183	1.3
405.20599	1.6
416.20096	1.3
417.21262	1.9
419.22455	1.8
431.17966	4.3
433.24020	3.2
445.20074	6.6
446.20932	3.9
447.21765	2.8
459.21716	1.9
460.22672	5.7
461.23285	6.7
473.23276	1.9
505.22534	3.2
533.25470	15.4
534.25909	2.5
593.27594	54.0
593.38879	4.2
594.27740	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.5
57.03438	4.1
62.28086	2.8
64.69080	2.6
65.81313	2.7
67.05494	6.5
69.03434	24.1
71.04994	6.6
77.63997	2.5
79.05485	8.9
81.07062	8.9
83.04995	4.1
85.02927	7.4
91.05487	9.0
93.07037	9.7
95.04968	4.0
95.08585	4.8
97.06535	3.3
99.04483	4.7
105.07050	14.5
107.04945	5.7
107.08599	8.3
109.06528	18.4
111.04469	5.0
111.08057	5.0
117.06985	6.4
119.08579	7.3
121.06514	24.9
121.10159	4.9
123.04356	3.5
123.08112	14.5
125.05976	4.5
129.07094	4.4
131.08595	3.6
133.06503	8.1
133.10117	11.8
135.08037	17.5
137.05951	14.2
137.09622	12.3
139.07527	5.2
143.08569	6.1
145.06496	8.2
145.10126	9.8
147.08066	8.0
149.05968	7.1
149.09668	14.1
151.03946	3.8
151.07639	3.9
153.05450	17.8
155.08571	8.3
157.06482	5.2
157.10080	5.7
158.07280	3.0
159.08070	14.5
159.11728	3.8
161.06001	7.5
161.09654	13.4
161.90129	2.8
163.07559	12.3
163.11165	6.8
167.07037	16.4
167.08354	3.7
169.10153	4.9
171.08049	9.6
171.11652	3.6
172.08853	3.3
173.09622	10.2
174.10477	3.4
175.07564	9.2
175.11137	8.6
177.05470	4.4
177.09082	2.8
179.07117	5.6
181.05051	5.8
183.08087	3.7
185.09570	8.6
187.07547	9.3
187.11157	11.8
189.09122	9.7
189.12749	10.9
191.07057	6.5
191.10648	3.6
193.08577	5.4
195.11732	3.3
197.09520	4.0
199.07504	5.7
199.11157	4.6
201.09100	10.3
203.07028	7.1
203.10677	5.7
207.11792	5.6
209.11635	4.3
211.11151	8.5
213.09081	4.4
213.12741	4.0
215.10699	6.3
217.08589	7.1
217.12209	4.0
219.10132	5.7
223.11217	5.4
227.10704	7.0
231.06464	5.0
233.08049	5.5
233.11763	11.7
235.11169	4.5
237.12642	3.4
241.08632	3.7
241.12190	3.8
243.10164	4.4
247.11218	4.8
249.12823	6.3
251.10632	3.7
253.40767	3.1
257.04321	3.9
261.12955	6.2
263.14246	8.5
263.40475	3.3
265.12323	4.4
273.12778	4.8
275.14444	4.5
279.13803	3.3
281.11731	6.9
287.05441	18.0
289.12241	3.9
291.13654	4.8
293.15308	3.9
303.05136	16.7
303.08426	4.8
303.13940	4.6
304.05435	3.5
305.15567	4.6
321.14600	4.2
331.13046	3.7
333.14725	6.5
335.12711	3.6
337.14752	3.9
345.14661	3.9
349.14349	8.9
351.15961	5.6
365.09164	3.3
373.17865	5.3
377.13846	9.1
381.16943	5.5
391.19247	4.9
395.14337	4.1
419.18851	18.7
421.19928	12.4
437.19412	12.2
439.21121	8.8
447.17841	8.8
449.19739	8.5
453.18634	3.9
462.81851	3.3
465.19080	100.0
466.19095	6.0
467.20590	22.1
468.20950	4.0
477.18997	5.7
479.20490	4.6
483.20273	27.7
493.18527	40.4
495.20062	12.7
497.22040	15.1
499.19836	4.5
503.18988	6.7
505.18423	4.0
511.19608	79.1
512.19702	5.2
513.21106	9.7
515.22687	6.8
523.19464	20.4
529.20294	5.1
531.22192	5.1
533.23700	6.5
541.20679	45.1
542.20990	5.5
559.21704	94.4
560.22101	7.8
576.24841	7.3
577.22760	17.3
595.21222	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
54.77025	1.1
56.12917	1.1
59.05011	1.0
67.05497	1.6
69.03415	9.6
69.03825	9.5
79.05487	11.6
81.07055	61.3
83.00372	1.0
88.75572	1.0
91.05469	8.1
93.07041	4.7
95.04967	3.9
95.08606	2.7
97.02874	2.9
97.06526	3.0
98.22604	1.9
105.07029	6.1
107.04945	2.7
107.08593	2.7
109.06512	21.3
111.04415	2.9
115.05400	2.9
117.07028	8.5
119.04960	1.7
119.08576	5.3
121.06494	4.0
123.04387	2.1
123.08080	2.3
125.06007	1.6
128.06203	4.1
129.06992	11.0
130.07768	1.1
131.04901	2.4
131.08548	8.4
133.06491	5.6
133.10120	3.6
135.04408	2.6
135.08032	4.3
137.05972	87.7
138.06306	3.1
139.07552	2.3
141.06981	3.8
142.07764	3.8
143.08604	9.4
145.06483	4.4
145.10100	7.6
147.04428	2.1
147.08060	6.9
147.09016	1.3
147.11644	1.7
149.05957	6.7
149.09581	1.7
153.07001	2.1
154.07741	2.6
155.08553	7.1
156.09331	1.3
157.06487	6.9
157.10120	8.0
158.07234	2.3
158.10876	1.3
159.08057	8.5
159.11674	2.6
160.08775	1.4
161.05940	4.6
161.09625	7.2
163.07518	2.0
165.05470	2.5
165.06931	2.4
166.07811	2.3
167.07001	1.2
167.08493	4.9
169.06473	1.6
169.10121	8.7
171.07979	5.6
171.11673	2.4
172.08807	1.2
173.05984	1.9
173.09631	7.4
174.10327	1.0
175.07602	5.6
175.11182	7.3
176.08287	0.9
177.09102	1.5
179.07195	1.2
179.08595	3.9
180.09258	1.4
181.06430	1.3
181.08714	1.2
181.10132	4.8
183.08051	5.5
183.11665	2.0
184.08931	1.3
185.06015	1.9
185.09604	10.6
186.10446	7.9
187.07591	4.9
187.11168	12.7
189.07401	1.4
189.09100	9.8
191.06892	1.6
191.10750	2.1
192.09360	1.7
193.10120	2.6
195.08075	2.5
195.11626	2.3
197.09563	5.7
197.13235	1.6
198.10309	1.5
199.07565	3.2
199.11137	4.4
200.04648	1.6
201.09096	8.3
203.07019	3.4
203.10623	8.7
205.08522	1.3
206.10890	1.2
207.08093	1.1
207.11674	3.4
209.09549	4.8
209.13321	3.1
211.07530	3.5
211.11119	3.5
213.09061	4.2
215.10686	5.5
217.08542	2.6
217.12241	2.5
219.09984	1.9
219.11823	1.5
221.09694	2.1
221.13293	1.7
222.10406	1.2
223.11282	5.3
225.09062	4.3
225.12727	2.2
226.09691	1.1
226.13545	1.1
227.07021	1.7
227.10672	2.1
229.08524	2.2
231.10036	2.3
235.11168	3.2
237.09137	2.4
237.12749	3.8
239.06993	1.2
239.10696	4.0
241.08496	1.6
241.12256	2.9
243.10117	3.4
247.11256	2.5
249.09196	1.3
249.12871	1.8
251.10754	2.9
253.12178	3.6
254.13051	1.4
255.10207	1.9
255.13690	2.3
261.11063	2.4
263.08948	2.0
265.12219	3.2
265.15289	1.2
266.12943	2.2
267.10077	1.4
267.13818	2.1
273.12854	1.3
275.14255	2.1
277.12082	1.2
279.12326	2.0
281.11703	2.2
283.13562	1.4
293.11539	1.9
303.13791	2.5
305.15311	1.6
333.14905	2.0
357.13376	9.0
373.18005	1.8
377.16702	1.3
385.18002	1.3
401.17459	1.2
405.15918	3.5
419.18802	6.2
420.19073	2.8
421.20184	3.1
423.14304	2.3
431.18835	2.4
433.10519	1.3
433.15762	1.8
437.19937	7.7
447.17810	6.2
449.19547	15.5
450.19910	1.9
451.16812	5.9
459.18106	1.5
461.19269	3.1
463.17404	1.4
465.19193	9.4
466.19571	2.1
467.20645	6.1
469.18616	15.6
477.18909	5.1
479.20468	3.6
483.20203	8.2
487.19174	3.1
493.18610	1.4
495.20117	13.7
496.20407	1.7
497.21738	3.2
505.18567	5.7
513.21130	23.5
515.22333	2.2
523.19611	12.9
541.20673	100.0
542.21143	8.4
559.21771	16.6
560.21478	2.0
577.22815	12.6
594.16418	1.8
594.25354	23.7
595.25525	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.3
53.70875	1.7
55.05505	3.8
55.65361	1.4
57.03444	2.6
58.59102	1.6
65.03930	2.3
67.05500	5.1
69.03444	9.2
69.07064	2.6
69.20391	4.2
69.20792	9.5
71.04953	2.1
79.05482	8.6
79.60660	1.8
79.90508	1.7
81.07043	15.0
83.01326	3.6
83.04971	3.8
89.85098	1.9
91.05469	17.1
93.07039	9.3
95.04974	10.1
95.08604	8.9
97.02882	5.6
97.06541	6.2
99.04453	2.9
103.05472	1.8
105.07037	15.2
107.04971	3.3
107.08582	7.8
107.43458	1.9
109.06520	29.8
109.10186	3.4
111.04468	5.3
111.08079	5.8
111.14722	2.0
115.05476	2.5
117.07048	9.0
119.04961	3.5
119.08590	15.9
121.06529	8.7
121.10153	4.5
123.04440	4.0
123.08075	13.8
125.09718	2.0
128.06209	5.9
129.07004	9.0
131.04942	4.3
131.08582	12.3
133.06477	5.1
133.10155	20.0
135.04443	2.9
135.08055	10.0
137.05988	23.1
139.07494	2.7
141.06953	6.3
142.07784	4.0
143.08566	19.3
145.06476	6.4
145.10098	15.7
146.07233	2.3
147.08052	41.7
147.11703	6.3
149.05959	5.6
149.09631	4.4
151.07544	10.3
153.05450	4.8
153.07005	3.0
154.07748	3.9
155.08545	9.5
156.09293	2.5
157.06487	5.7
157.10149	12.2
158.07365	3.0
159.08035	15.1
159.11652	4.3
161.05978	3.5
161.09612	37.8
161.13188	2.2
163.07541	5.6
163.11180	4.2
165.06938	3.4
165.09131	4.7
167.07115	3.7
167.08553	6.4
169.10132	12.7
171.08049	9.8
171.11699	10.0
172.08810	1.9
173.06013	3.1
173.09668	13.4
173.13298	5.0
175.07518	5.9
175.11209	5.4
177.09123	4.9
179.08566	3.7
180.09326	2.3
181.06526	2.5
181.10100	9.4
183.08105	2.9
183.11658	8.5
185.09619	15.2
185.13188	4.1
186.10345	2.3
187.11224	10.8
188.11958	1.8
189.09123	23.4
189.12737	5.7
191.10544	2.4
192.09401	2.6
193.10106	6.5
194.10931	2.6
195.08060	3.1
195.10143	3.2
195.11743	9.5
197.09637	7.0
197.13359	4.0
199.07520	4.9
199.11136	10.0
199.14828	4.5
201.09129	4.0
201.12769	5.3
203.10619	4.9
205.08592	6.7
207.10149	96.4
207.11681	6.1
208.10510	2.8
209.09558	4.9
209.13213	9.5
211.07581	2.0
211.11143	6.9
211.14856	5.3
212.11864	2.0
213.09082	8.5
213.12726	6.4
215.10710	5.3
215.14267	2.0
217.05025	2.2
217.08530	3.9
217.12160	2.4
219.06544	12.3
219.11812	3.2
221.13293	5.2
223.11195	3.6
223.14784	5.1
225.09142	2.2
225.12764	9.0
227.10643	5.0
227.14314	21.8
229.08670	2.4
229.12135	4.2
231.10120	5.9
232.12418	2.5
233.13249	6.8
235.11113	3.6
235.14769	4.7
237.12810	2.7
239.10886	1.8
239.14229	3.7
241.08589	5.0
241.12209	4.2
243.10130	3.7
243.13651	3.6
247.14775	5.4
249.12875	2.3
249.16321	3.3
251.14232	5.7
253.12163	3.6
255.13858	13.4
257.11612	2.6
257.15518	2.1
259.09543	2.5
263.17874	2.7
265.12262	6.0
265.15836	6.1
266.16595	2.3
267.13913	5.3
267.17404	4.2
267.21164	2.9
269.11765	2.5
269.15350	4.4
271.09558	3.1
273.11206	1.8
277.19534	4.7
279.13776	3.1
281.11691	2.4
281.15164	2.2
283.13321	5.2
287.09229	3.9
287.16504	9.8
291.13922	2.7
293.15503	3.3
293.18869	2.3
295.13428	3.7
295.20563	4.9
299.12881	2.0
301.14267	3.7
305.18967	4.7
309.14517	2.0
311.12775	5.2
313.14221	4.3
317.13989	4.1
321.14514	2.9
323.16544	2.3
323.20108	6.1
329.14203	2.3
331.15698	3.0
333.14890	3.3
335.16330	2.1
345.13983	2.7
347.16187	3.2
351.15952	2.8
355.22681	7.0
363.15399	3.5
365.17435	3.9
367.15408	2.9
375.14984	2.2
381.17130	2.6
385.17542	2.5
391.14496	4.4
393.20505	2.3
403.18347	2.9
403.22943	3.9
409.16269	6.6
419.18478	4.9
421.23813	100.0
422.24353	9.0
427.17419	2.7
431.18369	2.9
435.17740	2.7
437.19479	9.3
437.26840	7.6
438.20114	2.8
439.24921	47.9
440.24979	5.6
447.18109	7.3
449.19342	5.7
451.21152	4.3
453.22916	2.6
455.16812	5.4
455.27435	1.9
457.25928	4.7
463.24701	9.6
465.19131	18.7
467.21509	8.5
475.99744	2.4
477.18951	3.9
479.20465	8.5
481.19089	3.4
481.25739	30.9
482.26041	3.2
483.20322	11.3
485.17892	16.3
486.18140	2.3
493.18558	19.8
495.19861	9.8
497.21494	6.6
499.20224	2.3
499.26990	3.6
503.19037	21.7
505.18195	3.9
511.19617	84.0
512.19904	8.4
513.21136	10.6
515.22827	54.2
516.23077	7.3
523.19543	15.7
529.20654	16.9
530.20746	2.6
531.22229	5.1
533.23676	4.0
541.20673	59.9
542.21130	5.1
559.21716	52.7
560.22034	9.8
577.22308	5.7
578.22955	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50384	0.8
50.71869	0.8
55.05509	1.4
67.05495	1.7
69.03419	2.2
70.49799	1.8
70.50165	1.7
79.05478	1.6
81.07047	2.1
83.01323	0.7
83.04983	1.1
91.05466	2.8
93.07043	1.6
95.04956	0.8
95.08591	2.1
96.68181	0.8
105.07016	2.1
107.08597	1.4
109.06497	3.3
111.08118	2.0
115.05421	1.0
117.06997	2.1
119.08576	1.3
121.06496	3.1
121.10065	0.8
123.08073	1.8
129.07002	1.8
131.04953	0.9
131.08583	2.1
133.06493	1.9
133.10129	1.5
135.08046	2.1
137.05954	1.8
139.03766	0.8
139.07518	0.8
141.06918	1.0
142.07813	0.8
143.08582	2.7
145.06487	2.0
145.10109	2.7
146.07246	1.0
147.04402	1.4
147.08049	2.5
149.06013	1.0
149.09608	1.4
155.08517	1.1
157.06473	1.0
157.10139	2.6
159.08047	2.1
161.05963	1.8
161.09601	3.2
163.07622	1.2
165.05505	7.3
169.10213	1.2
171.08011	2.3
173.06004	3.1
173.09651	2.1
175.07526	1.5
177.09102	0.9
179.10742	1.1
181.10141	1.1
185.06027	0.9
185.09659	4.2
186.10332	0.9
187.07498	1.3
187.11145	3.2
189.05515	1.5
189.09035	1.7
191.03024	0.8
191.07060	1.7
193.94176	1.0
195.11514	0.8
197.09521	1.1
199.07407	0.8
201.05455	15.4
201.09137	1.2
203.06969	1.1
203.10696	0.8
209.09732	1.1
211.11119	0.9
213.09084	2.8
215.10631	1.3
217.08557	1.5
219.06456	4.6
223.11206	1.2
225.09062	0.9
227.10596	1.2
229.12318	0.9
231.10182	4.1
237.12740	1.3
239.10649	0.9
247.11211	1.0
251.10677	1.2
251.14290	1.1
253.12172	0.9
257.11575	1.0
261.12668	1.1
265.12091	1.1
275.14282	1.0
279.10342	0.8
281.11627	1.2
293.11588	1.0
309.11157	1.1
321.14767	1.5
323.16220	1.2
328.79059	0.8
391.19122	1.5
393.20615	2.0
407.38046	0.8
419.18384	2.6
421.20151	1.9
431.18030	1.0
437.15289	0.8
439.21716	1.6
447.18201	3.8
449.19339	3.4
451.21237	1.4
465.19067	19.1
466.19583	1.6
467.20856	5.2
469.21802	1.0
475.17291	1.1
477.18546	1.2
481.18527	3.2
483.19888	6.7
485.18216	0.9
493.18542	9.9
494.18988	1.2
495.20157	9.3
497.21405	1.3
511.19623	100.0
512.19934	10.7
513.14874	1.1
513.21338	8.8
514.21637	1.3
515.22601	1.6
523.19562	1.6
533.23938	8.0
534.24109	1.0
541.20392	3.1
545.27258	2.2
559.21930	7.4
568.49615	1.0
596.76978	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.9
55.05505	6.5
56.54649	2.0
67.05511	3.5
69.03435	30.1
69.07088	2.0
71.04990	2.9
71.08360	2.6
71.40139	2.5
79.05462	4.8
81.07055	14.6
85.06534	2.9
86.81675	2.0
91.05474	8.4
93.07050	7.5
95.04963	5.0
95.08627	15.7
99.04464	6.0
101.06047	4.0
105.07040	8.7
107.08578	5.0
109.06532	14.1
109.10157	2.6
111.08082	6.3
115.05493	2.5
117.07036	2.0
119.08607	5.6
121.06512	8.1
121.10129	4.5
123.08085	15.6
129.07042	6.8
131.04959	6.5
131.08572	6.3
133.06502	7.5
133.10158	4.2
135.08052	4.7
137.05984	23.3
139.07524	19.6
141.07022	3.3
142.07790	3.2
143.08546	7.4
145.06503	5.9
145.10121	6.3
147.08064	8.5
149.05994	3.7
149.09618	5.0
151.07530	7.7
155.08575	8.8
157.06520	5.5
157.10147	4.2
158.07262	3.7
159.08061	9.2
159.11690	2.3
161.05986	4.2
161.09654	4.3
163.07610	3.4
163.11205	2.6
165.09044	3.1
167.07016	6.0
169.06468	3.5
169.10136	2.6
171.08084	9.5
173.09592	4.6
175.07591	3.4
175.11200	3.5
177.05502	2.8
177.09129	4.7
179.08630	4.4
181.10141	2.4
183.08028	3.7
185.05933	2.3
185.09604	6.7
187.07516	2.8
187.11214	5.3
189.09151	7.9
191.10712	2.6
193.10173	4.6
195.08089	4.9
199.07558	4.4
199.11079	4.1
201.09076	3.3
201.25494	2.1
203.10626	3.7
208.12511	2.4
209.09634	7.8
209.13239	2.4
211.11273	2.7
213.09171	3.4
213.12581	3.1
215.10634	2.5
219.11813	2.7
219.94234	2.2
221.09627	4.6
221.13319	2.7
222.10464	2.6
223.11171	4.7
225.09016	3.8
225.12737	4.1
227.10680	3.0
233.09752	2.9
235.11215	5.4
236.11932	2.5
237.09122	2.7
237.12738	6.9
241.12282	2.7
245.09596	4.8
245.11809	7.9
246.10310	2.9
247.11198	3.9
247.14906	3.3
249.12717	4.8
253.12207	4.1
255.10217	3.4
263.10614	6.7
265.12219	5.4
265.16071	2.6
273.12808	3.3
275.14453	3.9
277.12207	4.0
281.11981	3.4
283.13284	6.7
287.05441	5.8
287.12762	6.8
291.13791	3.4
293.15289	3.7
295.13193	2.5
301.14496	7.5
305.15176	3.9
315.13885	3.3
333.14886	4.9
351.15836	4.1
357.18909	2.6
375.19427	7.6
379.19022	3.8
393.20755	12.0
403.19055	13.7
411.21646	7.5
419.22220	6.4
421.20114	47.3
422.20297	5.0
437.23444	4.3
439.21170	100.0
440.21393	9.1
445.19949	4.3
455.24619	4.0
457.22012	10.3
463.21338	18.1
464.21054	3.0
465.18704	2.2
467.20734	3.4
469.22333	4.2
481.22253	34.9
482.22141	3.9
483.20010	7.1
495.20023	6.5
499.23279	33.9
500.23608	4.0
513.21289	14.9
515.22589	9.3
517.24335	4.6
523.19690	4.4
529.20520	5.6
531.22369	12.7
541.20184	11.6
559.21802	12.0
560.21436	2.3
594.23651	4.2
595.26465	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
61.78380	1.1
66.09310	1.2
69.03280	9.3
69.03690	2.4
95.04991	1.9
103.05468	45.7
131.04932	100.0
132.05283	3.4
145.51010	1.0
148.38904	1.5
149.02327	4.5
175.22385	1.2
181.08611	1.4
182.14357	1.2
193.05080	2.4
227.06963	1.3
257.08237	2.3
258.57111	1.4
264.11487	1.5
267.06558	1.3
279.10193	2.2
280.10992	1.8
281.08221	2.1
286.08438	2.0
287.05432	1.5
291.10049	2.0
295.13138	2.2
296.10345	2.8
298.08182	1.4
299.09109	2.2
301.10635	2.8
306.12537	2.3
308.10434	2.9
309.11340	1.9
309.14853	3.4
310.15582	1.9
313.10837	6.2
314.11395	2.7
317.10260	4.6
318.11032	5.4
322.11813	2.1
323.09406	1.3
323.12772	8.1
324.13580	2.0
327.12198	3.7
328.12952	4.2
330.10818	1.5
331.11740	2.6
332.12650	7.6
332.16132	1.8
333.13184	3.6
337.14322	14.1
338.15079	7.1
339.12183	3.6
339.15939	1.8
341.17627	5.8
345.13437	6.0
354.14517	2.5
355.15399	8.6
359.14914	4.8
369.16971	18.8
370.17725	17.4
371.14752	1.4
386.17230	2.6
398.18079	1.2
401.19586	83.4
401.87946	1.3
402.19809	6.8
531.23718	23.0
577.13019	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.01878	1.8
55.05517	9.4
57.03450	1.6
57.07074	3.3
65.03946	1.2
67.05502	11.7
69.03418	2.8
69.07069	5.6
69.27162	7.7
79.05492	6.8
81.07064	13.0
83.04980	3.0
83.08607	2.0
84.95721	1.1
85.06548	12.7
91.05492	7.6
93.07052	8.2
93.07530	1.4
95.04977	2.3
95.08609	18.0
97.06543	3.9
97.10180	4.5
98.23364	1.2
99.08109	1.7
101.06033	2.2
105.07043	9.5
107.04948	1.5
107.08599	8.7
108.84506	1.2
109.06520	21.8
109.10156	4.4
111.08050	2.5
113.06023	3.3
117.07039	3.4
119.08582	10.1
121.06519	4.7
121.10168	3.8
123.08060	6.3
123.11719	3.4
125.09599	1.6
128.06239	2.6
129.06996	3.7
131.08577	6.9
133.06473	1.9
133.10120	9.8
135.08044	4.3
135.11725	1.6
137.09656	1.9
141.06999	2.7
141.09081	3.0
142.07779	1.5
143.08540	10.7
145.06459	2.7
145.10101	6.6
147.08081	2.1
147.11707	2.4
149.09621	3.0
151.07484	1.4
151.11168	5.0
153.05553	1.4
153.06999	1.7
154.07837	1.6
155.08505	8.8
156.09288	3.5
157.06514	1.7
157.10123	12.4
159.08054	6.0
159.11653	3.8
161.09615	3.5
163.11258	2.3
165.05733	1.4
165.07034	2.9
166.07791	2.3
167.07208	2.0
167.08597	5.2
169.10130	11.7
171.08064	5.5
171.11659	9.3
173.09618	5.9
173.13313	2.8
175.11153	2.2
178.07846	2.2
179.08585	5.6
179.10649	4.3
180.09361	3.1
181.10136	10.5
182.10890	2.4
183.08055	2.6
183.11694	8.7
184.07339	1.7
185.09608	7.6
185.13283	2.8
187.11252	2.9
187.14825	2.0
191.08487	1.6
192.09319	2.9
193.10117	9.5
194.10820	2.6
195.08069	2.3
195.11694	9.6
196.12338	1.6
197.09586	6.2
197.13318	7.5
199.11165	4.1
199.14832	2.7
201.12715	2.5
203.08641	1.4
204.09351	1.3
205.10216	4.8
205.12175	1.7
206.10884	4.1
207.11707	10.5
207.13675	2.3
208.12352	2.6
209.09642	3.7
209.13200	10.7
210.10371	1.9
211.11211	5.1
211.14839	3.3
212.11775	1.6
213.12881	1.6
215.14313	2.1
217.10139	2.6
218.10902	2.5
219.11707	6.6
220.12462	3.0
221.09650	2.4
221.13187	8.6
222.13892	1.6
223.11188	3.9
223.14862	4.0
225.12766	4.5
227.10756	2.0
227.14331	13.3
229.12297	1.7
229.15955	1.7
231.11674	4.5
232.12511	4.0
233.09639	2.2
233.13190	6.6
234.13890	1.3
235.11192	4.3
235.14771	7.0
237.12686	3.0
237.16415	4.8
238.13472	1.5
239.14343	4.4
241.15883	2.5
243.11703	1.6
245.13257	4.9
246.13847	1.7
247.11259	1.8
247.14949	6.2
248.11914	1.6
248.15599	1.8
249.12799	3.4
249.16411	3.5
251.14395	4.6
253.12180	1.6
253.15884	6.0
255.13789	1.7
257.13080	2.5
257.15436	2.4
259.14899	4.0
261.12814	2.4
261.16434	2.8
262.16864	1.6
263.14267	7.0
263.18042	2.1
264.14880	1.6
265.15781	5.9
267.13840	2.0
267.17380	2.5
271.14777	2.2
273.16339	2.9
275.14343	2.3
275.17831	2.8
277.15915	2.8
279.13730	1.4
279.17542	2.7
281.15396	14.7
283.16931	4.3
287.05579	1.9
287.18079	1.7
289.15924	2.5
289.19260	1.5
291.13843	1.4
291.17505	2.4
293.15585	2.4
293.18991	6.2
294.20187	1.6
295.16821	2.5
305.13708	1.7
305.18915	2.4
307.16946	3.3
309.18558	2.1
317.19055	1.4
319.16977	1.9
323.20132	2.4
331.20490	1.7
337.17929	1.4
339.15958	4.2
347.16290	1.6
357.16922	9.4
359.19489	1.7
359.23700	3.7
369.20541	8.3
373.21237	1.9
377.24915	7.1
383.18369	1.7
385.21463	2.2
387.23309	11.5
388.23697	2.1
389.24615	1.7
391.22437	1.5
395.25732	4.4
399.23288	1.7
401.24899	1.9
405.24283	38.4
406.24850	9.3
407.25723	4.2
417.24213	5.7
419.25751	5.2
423.25336	100.0
424.25717	14.4
425.26801	4.1
427.22842	1.7
435.25513	12.5
436.76294	1.3
437.26987	11.5
438.27313	2.4
445.23703	4.6
446.24310	1.4
453.26471	13.1
463.24731	12.7
464.25101	1.7
471.27716	2.6
481.25836	30.9
482.25858	3.7
483.27426	10.8
499.26917	50.6
499.34317	2.4
500.27045	3.6
517.27924	1.9
594.32263	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74636	2.4
55.05514	6.7
56.99345	2.5
57.07069	3.4
67.05506	14.8
69.07069	11.4
71.08686	3.6
79.05513	8.9
81.07037	16.7
83.91643	2.7
88.07625	7.0
88.17020	2.3
91.05488	10.1
93.07048	11.6
95.08625	22.5
97.10148	3.0
98.22561	6.3
102.11585	2.9
105.07027	32.8
107.04980	12.7
107.08575	14.0
109.10149	17.2
110.47118	3.1
117.07040	4.6
119.08598	29.3
121.10173	8.5
123.08071	9.9
123.11700	8.8
129.07121	3.6
131.08607	7.2
133.10118	14.4
135.04424	12.0
135.11713	3.0
137.06114	3.2
137.09593	3.9
140.10594	2.7
143.08585	4.9
145.10144	13.9
147.11697	26.7
149.13252	5.9
152.04723	7.0
153.05463	47.7
158.07257	6.1
159.11714	11.5
161.13245	14.2
167.07048	100.0
173.09639	10.6
175.14798	4.0
181.08609	11.0
182.09035	3.6
187.07567	7.8
201.09067	37.6
201.16432	20.9
203.17960	84.4
204.18350	9.0
205.08534	3.5
219.10190	4.0
219.17381	7.0
233.11752	29.9
234.12486	7.9
235.13297	20.7
283.26355	11.1
338.34048	6.8
373.16553	15.4
405.19940	3.0
432.18982	7.5
434.24371	5.5
446.20535	8.4
447.21259	3.7
461.23077	10.8
462.23596	9.0
474.23718	3.9
506.23239	3.3
534.25818	31.7
594.27814	93.5
594.58167	20.2
595.28363	6.9
595.37280	3.0
610.42212	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.8
55.05504	20.0
57.03442	7.3
58.37540	3.1
67.05505	23.3
69.03426	4.9
69.07069	7.4
69.89933	12.9
71.05005	3.4
79.05492	23.5
81.03419	51.0
81.07062	19.6
83.04995	7.0
83.08627	15.5
91.05485	18.5
93.07037	16.8
94.64669	2.3
95.04951	16.6
95.08603	9.3
96.56635	2.5
97.06503	2.7
97.10190	17.3
105.07034	9.9
107.04965	11.4
107.08602	10.6
109.06528	7.8
109.10187	8.0
111.08051	4.6
117.07072	3.6
119.08580	12.6
121.06531	9.8
121.10152	6.8
123.08050	3.1
125.09631	11.8
129.07022	7.7
131.08575	12.2
131.09476	2.8
133.10129	6.9
135.08099	4.9
135.11678	3.1
142.07716	3.0
145.06473	3.9
145.10153	6.8
147.08086	6.2
147.11710	7.3
149.09668	6.5
157.10188	6.7
163.11240	4.2
171.11646	4.6
175.11168	7.9
189.11235	7.7
193.12248	11.6
228.57896	3.1
233.15373	4.2
267.15897	38.6
273.14737	5.2
349.21582	4.7
367.22757	20.8
385.23782	33.9
403.24777	11.0
441.26395	6.3
459.27393	100.0
460.27811	8.1
477.28470	69.6
478.28815	8.0
491.29822	8.4
509.31271	5.8
549.21356	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23787	0.6
53.03944	0.8
55.01864	1.9
55.16430	0.6
67.05514	0.8
68.99792	7.9
69.66259	3.4
71.13187	0.6
73.42079	0.7
77.03940	0.8
81.03408	2.5
85.02952	0.9
88.33926	0.7
91.05485	1.0
95.01453	0.6
95.04958	2.3
99.04443	1.3
101.72032	0.7
105.03423	1.1
107.04970	1.3
109.02864	3.6
111.00804	6.3
111.04439	2.5
115.05481	0.7
119.04929	2.2
121.02864	2.8
122.75171	0.7
123.04434	36.2
124.04752	1.0
127.03917	100.0
128.04257	1.4
133.02858	2.4
135.04414	1.8
137.02338	0.7
137.05983	0.8
137.81268	0.8
139.03902	81.0
140.04214	2.2
143.04865	0.6
147.04398	11.7
149.02310	4.3
149.05952	1.0
151.03900	30.5
155.03389	1.4
156.79767	0.6
157.06491	1.2
159.04469	1.1
161.06000	2.7
163.03894	6.9
165.05490	6.5
167.03397	6.5
171.04434	2.8
173.06033	1.0
175.03914	16.2
177.05432	5.4
177.50542	0.7
179.03398	34.2
180.03807	1.1
181.04974	1.6
183.04405	1.6
185.06035	1.6
187.03874	1.2
189.05429	4.5
191.03387	16.7
193.04950	4.3
197.06079	1.2
199.03917	2.4
201.05493	5.2
203.03395	19.9
203.07118	0.9
205.04930	2.2
207.06435	1.3
213.05545	6.1
215.03426	1.3
215.06918	1.0
217.04900	4.1
219.06544	1.4
225.05478	0.9
229.04976	6.4
231.06511	3.8
233.04475	7.3
241.04919	2.8
243.02832	0.7
245.04471	11.1
246.04829	0.9
247.05954	1.1
251.05594	1.2
253.04933	1.1
257.04468	16.1
257.06940	0.5
258.04944	1.3
259.05991	3.7
263.05487	9.8
269.04449	5.1
271.06104	3.0
273.07483	0.7
275.05521	25.3
276.05841	2.2
287.05496	52.3
288.05774	2.6
291.08676	11.0
299.05508	19.4
300.05637	1.1
303.08612	1.9
305.06500	9.5
311.05515	1.3
317.06543	16.8
379.08563	0.9
407.07407	0.7
409.09177	8.5
425.03421	1.2
425.08694	14.3
426.09216	0.7
427.10184	2.4
433.08743	0.9
443.09720	4.7
451.10031	1.5
455.09119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1439
Annotation	Kaempferol 3-(3''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
55.01872	1.1
55.43300	0.2
65.03934	0.5
67.05474	0.2
68.53143	0.2
68.99793	1.5
69.66318	0.3
69.66729	0.6
74.51658	0.2
77.03943	0.2
81.03415	0.5
83.06087	0.3
84.04511	1.0
86.68507	0.2
91.05471	0.5
93.03368	0.2
95.04969	0.5
97.02869	0.2
107.05057	0.2
109.02886	0.5
111.00843	0.9
111.04459	0.4
112.03955	0.6
115.05469	0.5
119.04943	1.0
121.02871	0.6
123.04436	11.1
124.04768	0.2
127.02122	0.5
127.03920	7.1
129.06641	0.4
130.05005	2.3
133.02898	0.3
133.06573	0.2
135.02664	0.3
135.04401	0.7
137.02357	2.2
139.03905	16.6
140.04222	0.4
143.04936	0.4
143.51329	0.2
145.06456	0.2
147.04416	3.4
149.02357	0.8
151.03902	4.6
153.98889	0.2
155.01602	0.8
155.03423	0.4
155.04863	0.2
157.06482	0.8
159.04355	0.3
161.05992	1.1
163.02385	0.3
163.03908	2.6
165.01880	0.2
165.05476	1.7
167.03424	0.6
169.05023	0.3
171.04454	0.6
173.05959	0.4
175.03903	2.2
177.05508	0.7
179.01683	0.9
179.03377	5.9
180.03743	0.2
181.04951	0.6
183.01117	1.4
185.06003	0.8
187.03801	0.3
189.01947	0.2
189.05495	1.1
191.01709	0.3
191.03331	1.6
193.04980	1.7
197.05878	0.3
199.03932	0.8
201.05536	0.7
203.01639	0.4
203.03418	3.6
203.07043	0.5
205.05003	0.2
207.06644	0.3
209.02664	0.4
213.05463	2.8
214.06020	0.2
215.03452	0.3
217.04945	1.3
219.47250	0.2
221.04518	0.3
229.04919	1.2
230.05695	0.2
231.06416	1.5
233.04509	0.6
237.05466	0.2
241.04871	1.5
242.05679	0.3
245.04434	4.1
253.05005	0.3
256.95276	0.2
257.04440	5.0
258.05151	0.6
259.06085	1.0
263.05548	1.5
269.04535	1.0
270.04971	0.2
271.05972	1.0
275.05539	3.5
276.05911	0.2
281.04620	0.3
282.04437	0.4
286.04910	0.2
287.05493	100.0
288.05853	5.5
291.08636	2.1
299.05511	3.1
301.07150	0.3
303.03073	0.5
303.08691	0.3
305.06598	1.3
311.05478	0.3
312.05417	0.5
317.06537	2.3
329.04633	0.2
329.08105	2.5
333.09448	0.2
383.09085	0.5
388.48083	0.2
409.09100	3.9
409.93466	0.2
410.09338	0.3
421.09399	0.3
425.08716	2.3
427.10300	0.9
439.10159	0.6
449.10693	1.3
451.10272	1.3
458.12393	1.2
469.11340	0.4
475.23337	0.2
481.56073	0.2
521.12549	0.4
595.16492	1.9
596.16510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
59.86029	0.5
60.11494	0.5
65.03932	1.4
65.73637	0.5
67.01861	1.2
67.35674	0.6
68.06521	0.5
68.37203	0.6
68.99789	6.0
70.45493	2.0
75.07281	0.7
81.03421	4.6
83.05011	0.8
91.05460	1.0
93.03392	0.9
93.44268	0.6
95.04957	1.7
99.04425	0.9
99.92339	0.6
105.03391	0.8
107.04971	0.9
109.02876	4.2
111.00801	6.7
111.04418	1.6
119.04948	1.8
121.02882	2.2
123.04433	34.3
127.03913	100.0
128.04263	2.7
133.02856	1.6
135.04388	2.8
137.02396	1.2
139.03896	64.4
140.04262	2.2
147.04405	11.4
148.04739	1.2
149.02359	3.2
151.03906	27.1
152.04214	0.9
153.01807	0.9
157.06485	1.0
159.04402	1.4
161.02339	0.7
161.05963	2.1
163.03917	6.1
165.05443	6.5
167.03406	5.6
171.04460	0.8
173.05969	1.0
175.03902	17.2
175.05402	1.1
177.05444	4.5
179.03391	30.7
180.03722	1.2
181.04974	1.3
185.05986	2.1
187.03995	1.5
189.05554	3.0
191.03389	11.8
193.04979	4.8
197.05927	1.1
199.03946	2.0
201.05434	4.7
203.03377	21.5
204.03697	0.9
205.04988	2.3
207.06473	0.7
213.05446	5.1
214.06000	0.6
215.03406	1.0
217.04955	4.2
219.06667	0.8
227.03448	1.1
229.04936	5.4
231.06586	3.0
233.04420	6.0
239.32726	0.6
241.04996	1.5
245.04436	9.1
247.05920	0.9
251.05481	1.7
257.04443	11.7
258.05328	1.5
259.06061	3.5
263.05475	6.5
269.04495	3.2
271.06085	2.1
275.05496	22.0
276.05823	1.1
281.04483	1.2
287.05499	58.3
288.05936	3.6
291.08618	12.7
299.05505	15.7
300.05804	0.7
301.07126	0.9
303.08624	1.2
305.06512	7.9
313.07318	0.8
317.06573	11.0
407.07367	0.8
409.09229	9.3
425.08646	11.2
426.08868	1.7
427.10349	3.7
428.10995	0.7
443.09891	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.3
57.60651	1.3
65.03940	1.3
69.03442	2.0
70.50928	1.8
76.05851	0.9
81.03417	1.1
83.04989	5.8
85.66380	0.9
91.05495	6.7
92.65376	1.0
93.03413	1.2
95.04958	2.6
98.22540	0.9
101.00874	2.0
102.09893	0.8
103.05442	1.2
105.07052	1.7
107.04965	16.2
109.01446	1.8
111.04459	2.3
113.00849	1.8
119.01945	3.9
119.04948	16.2
119.05756	1.2
121.02862	5.3
121.06479	1.4
122.14127	0.9
123.04449	4.1
125.04424	1.0
127.02430	22.4
127.03871	5.8
129.03879	0.8
131.01906	2.5
131.04890	2.0
133.06487	5.9
134.17734	0.9
135.04410	2.3
138.65761	0.9
139.03915	4.5
141.03969	2.1
141.06955	1.2
145.03473	92.7
145.06535	2.5
146.03564	4.6
147.04413	78.5
148.04849	1.8
151.02419	1.0
151.03963	1.8
153.04012	1.0
155.08521	1.0
157.03511	1.3
157.06467	2.1
159.08020	1.2
161.02931	1.0
161.06065	1.0
162.46321	0.9
163.04356	3.9
165.04015	1.2
165.07085	2.1
167.08601	3.8
168.05070	1.0
169.03471	23.3
169.04845	1.6
169.06563	1.4
170.03523	1.1
171.01480	1.7
171.05025	3.7
171.07976	4.5
173.02927	1.5
173.05972	7.0
179.01947	1.2
179.03375	2.0
179.08553	2.0
181.03516	1.1
182.07274	1.3
183.05075	2.7
183.08113	1.3
185.03009	2.6
185.09651	1.8
187.04532	16.9
188.04620	1.4
191.03467	0.9
195.05046	3.5
195.08083	7.6
197.02989	5.7
197.06239	1.0
197.09608	2.2
199.07570	1.6
201.05478	1.2
205.03471	3.5
205.05313	1.1
207.05006	1.4
209.06744	1.3
211.04546	1.9
213.05969	1.1
213.09166	2.6
215.03853	1.8
215.05606	2.6
219.01738	0.9
219.05106	2.0
221.06505	3.1
223.04558	4.1
223.07556	7.1
225.05888	1.4
229.03540	2.7
231.04958	2.3
233.06671	10.7
234.06924	1.6
235.08084	1.3
237.05901	1.8
239.04364	1.0
239.07237	1.1
241.05554	1.1
241.08800	2.1
245.06659	2.8
247.04495	9.3
247.08180	2.3
249.05916	2.0
251.07628	1.1
255.04948	8.1
257.06671	2.7
259.08203	2.4
261.06168	2.5
265.05554	3.9
267.07202	1.9
269.06619	1.6
271.08127	5.7
273.06100	21.0
273.09647	4.4
274.06287	2.3
275.05487	1.8
277.05533	2.3
279.07190	1.2
281.06833	5.9
281.09702	1.6
283.06555	2.1
285.06171	1.4
285.09775	1.3
287.05460	4.3
287.08115	1.8
289.05917	1.1
289.09296	3.1
291.07150	3.0
297.06107	2.1
297.09726	1.0
299.07846	12.8
299.11182	2.3
300.08041	2.9
315.07202	5.2
317.08871	12.0
318.08856	1.2
321.09705	3.4
323.11337	7.0
325.05606	2.8
325.09229	1.5
331.08020	1.3
333.08240	2.1
335.09604	1.2
339.10782	6.3
341.12378	1.5
343.06427	5.6
345.08228	1.5
349.09247	7.1
357.11935	1.3
361.07709	4.4
367.10242	8.6
368.10385	1.3
375.07205	1.3
379.08707	5.5
385.11414	16.5
386.11392	1.3
393.08121	1.7
403.12418	15.1
404.12311	1.7
411.09244	3.2
421.09848	1.2
427.12213	1.3
429.10352	8.3
430.10272	1.4
447.11374	5.1
471.11255	4.3
472.12338	1.1
489.12430	100.0
490.12598	14.4
499.10757	1.9
507.13513	45.8
508.13846	6.1
517.11810	2.2
525.14545	48.1
526.14728	7.4
530.14960	2.2
535.13251	6.4
543.15607	11.3
544.15692	1.7
549.14453	1.9
553.07416	1.5
553.14246	16.9
554.13983	3.3
576.15076	1.2
577.13977	2.6
595.15393	11.3
596.15424	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1657
Annotation	kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
55.01874	0.2
56.00373	0.2
57.02996	0.2
65.03957	0.2
67.05499	0.2
67.47870	0.2
68.13570	0.1
68.99793	0.9
69.65062	0.4
69.65464	0.5
81.03413	0.5
88.73294	0.2
91.08350	0.2
95.04923	0.4
98.22742	0.2
107.04939	0.3
109.02866	0.4
109.81002	0.1
111.00844	0.8
115.05402	0.3
119.04942	0.5
121.02878	0.5
123.03536	0.3
123.04435	4.9
123.61456	0.2
127.03922	9.5
135.04456	0.3
137.02353	2.0
137.06012	0.2
139.03902	7.7
140.04233	0.2
141.06992	0.2
147.04416	1.7
149.02354	0.7
150.03073	0.3
151.03906	3.4
155.03429	0.3
157.06512	0.4
161.05960	0.4
163.03912	0.8
165.01733	0.2
165.05475	1.1
167.03392	0.4
171.04408	0.4
173.06023	0.3
175.03905	1.6
177.05475	0.5
179.03392	3.8
180.03819	0.2
185.06000	1.0
189.05481	0.7
191.03404	1.2
193.04936	0.7
199.03922	0.4
201.05539	0.4
203.03421	1.9
203.07042	0.2
207.06419	0.2
213.05496	2.2
217.05093	0.7
227.03526	0.2
229.04961	0.5
230.05511	0.2
231.06497	1.1
233.04378	0.6
241.04968	1.1
242.05550	0.2
245.04442	1.4
247.06093	0.2
257.04446	1.3
259.05997	0.6
263.05521	0.7
269.04431	0.8
271.06003	0.3
273.07678	0.2
275.05487	1.8
287.05496	100.0
288.05853	5.5
291.08600	2.1
299.05475	1.5
301.06879	0.2
305.06540	1.4
311.05728	0.2
317.03284	0.2
317.06525	1.2
409.09180	1.1
425.08450	0.8
439.10165	0.2
443.09796	0.3
449.10840	1.7
451.10352	0.3
469.11115	0.2
595.16541	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1656
Annotation	Tricetin 3'-rhamnosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
53.03945	2.1
55.01868	1.1
55.05502	4.4
57.03435	14.4
58.68766	0.8
59.04998	1.9
61.02932	1.0
65.03946	0.9
67.05495	1.1
68.85650	0.9
68.98537	1.0
68.99776	1.4
69.03429	18.1
71.01353	1.0
71.04992	88.4
71.30064	0.8
72.05328	1.3
73.02918	11.0
75.04482	4.0
79.05492	2.1
81.03428	1.9
81.07067	2.1
83.04984	8.6
85.02901	100.0
86.03263	1.2
87.04459	1.6
91.05480	1.0
95.04970	2.5
97.02896	1.1
97.06486	0.9
99.04453	4.0
105.07007	1.2
107.08581	1.0
108.65385	0.8
109.02873	2.2
109.06538	1.5
111.04421	5.7
113.05977	1.1
113.07259	0.8
117.05488	8.3
121.02870	3.1
123.04368	1.2
123.08011	1.1
127.03919	3.3
129.05475	25.5
135.04411	1.3
137.02338	16.0
137.03383	1.7
137.05965	2.3
139.07484	0.8
145.10146	0.9
147.06520	6.0
149.02351	1.9
149.05984	0.9
153.01799	5.0
153.05444	2.7
157.10091	1.0
159.11726	0.9
161.05983	1.5
163.03893	2.1
163.05998	7.4
165.01851	3.6
167.03465	1.8
167.07057	1.5
173.05984	1.3
175.07539	1.0
177.05473	1.0
181.04988	1.4
185.05893	1.1
189.09090	1.3
191.03310	0.9
195.02899	1.1
201.05487	2.5
201.09151	1.0
203.03362	1.8
213.05493	1.6
217.04997	1.1
229.04903	4.2
239.09146	1.7
241.04836	1.3
253.05176	1.2
257.04446	2.6
259.06082	1.4
271.05930	1.4
285.03745	1.4
287.05490	39.3
288.05817	2.1
299.05438	5.2
301.03555	1.2
302.04318	3.0
303.04971	98.8
304.05273	4.7
313.07083	1.7
315.04968	25.8
316.05740	5.7
327.05008	7.7
329.06485	2.6
339.05179	1.4
341.06540	8.9
345.06036	54.7
346.06302	2.8
353.06604	3.4
357.06018	1.6
367.08102	3.9
369.06015	18.8
395.07648	11.7
413.08670	35.9
414.09067	2.9
431.09665	16.9
432.10104	1.8
449.10748	41.2
450.10977	3.0
468.20544	1.2
495.20364	0.9
507.20285	1.3
512.19897	1.5
525.21045	3.2
531.21863	1.7
559.21710	1.2
560.21979	2.7
595.15381	1.1
595.21655	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.05497	0.4
56.47037	0.3
57.03432	2.1
61.02902	0.7
68.99797	0.8
69.03079	3.4
69.03419	1.0
71.04992	12.8
73.02892	0.4
79.27632	0.3
82.21704	0.4
83.04985	0.7
85.02905	16.7
97.02894	1.2
99.04408	0.4
109.02863	0.4
111.00797	0.5
111.04438	0.4
121.02862	2.2
123.04415	1.0
127.03905	1.2
129.05479	3.6
135.04431	0.6
137.02350	0.6
139.03891	0.8
145.04945	0.6
146.03110	0.4
147.04445	0.6
147.06497	1.3
152.73895	0.4
153.01822	2.7
157.06441	0.5
165.01860	1.2
166.83501	0.4
183.02928	0.6
213.05510	1.1
214.16335	0.3
231.06451	1.0
241.04979	0.7
258.05258	1.0
259.06064	0.7
287.05484	100.0
288.05826	4.4
329.06464	0.4
369.79663	0.4
449.10901	0.6
469.84610	0.4
595.22711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1657
Annotation	Kaempferol 3-rungioside
Peak:m/z	Relative Intensity
53.03944	0.5
57.03425	1.9
61.02919	1.5
67.05504	0.6
68.99789	0.4
69.03429	0.9
70.06107	0.6
70.06477	1.3
71.04993	10.7
75.04477	0.5
75.56151	0.3
79.05495	0.4
81.07085	0.5
83.04976	0.9
83.33885	0.3
85.02905	12.7
91.03963	1.3
91.05474	1.0
91.29474	0.4
93.07093	0.4
95.04958	0.4
95.08578	0.5
97.02901	1.3
99.04482	0.5
105.07038	0.8
107.04964	0.5
107.08633	0.4
109.06503	1.1
111.00818	0.7
111.04424	0.8
117.07053	0.6
119.08582	0.8
121.02889	2.0
121.06514	0.4
121.10119	0.7
123.04439	1.3
123.08076	0.7
123.50741	0.3
127.03902	1.3
128.06213	0.5
128.50682	0.3
129.05498	3.2
129.06996	0.4
131.08594	0.5
135.08047	0.7
137.02338	0.7
137.06021	0.8
137.09628	0.4
139.03903	0.7
141.06975	0.4
143.08514	0.8
145.06531	0.9
145.10100	0.9
147.04453	0.8
147.06552	1.2
147.07979	0.4
149.09624	0.5
151.07498	0.5
153.01843	2.8
155.08502	0.5
157.10103	0.7
159.08037	1.3
159.11632	0.6
161.06017	0.4
161.09708	0.5
165.01865	1.6
165.05501	0.5
167.07169	0.4
167.08545	0.4
168.09270	0.6
169.10129	1.0
171.04433	0.4
173.09636	0.8
175.03716	0.3
175.07536	0.7
175.11122	0.5
181.10104	0.4
183.02826	0.5
183.11589	0.7
185.06021	0.5
185.09532	0.8
187.11206	0.7
189.05508	0.4
189.09148	0.4
199.11285	0.6
201.09126	0.7
201.12733	0.7
203.10718	0.4
213.05547	0.9
215.10600	0.4
241.04938	0.7
258.05112	0.7
259.05954	0.4
287.05487	100.0
288.05823	5.7
299.05466	1.2
329.06601	1.4
353.06421	0.5
407.18524	0.4
431.09525	0.8
433.20050	0.4
441.22665	0.8
449.10782	1.4
451.21609	0.5
453.19070	0.5
467.20386	0.5
469.22113	0.9
473.62833	0.4
485.21466	1.2
487.23434	2.3
489.21228	0.5
495.20441	0.6
501.21033	0.5
513.21179	2.3
515.22827	2.2
531.22247	2.0
533.23834	9.3
534.24036	0.7
535.21661	2.1
543.01855	0.4
559.21722	11.0
560.21753	1.2
577.22754	3.4
595.22516	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1654
Annotation	Datiscin
Peak:m/z	Relative Intensity
57.03437	2.2
61.02920	0.3
68.99796	0.4
69.03426	1.1
71.04994	11.2
73.02921	0.5
75.04484	0.4
81.03410	0.5
83.04993	0.7
85.02906	14.6
91.03928	0.4
97.02895	1.1
105.03390	0.4
109.02878	0.7
111.04423	0.5
121.02869	2.3
127.03922	0.8
129.05476	3.2
129.99640	0.3
137.02370	0.7
145.04942	0.9
147.04430	0.6
147.06502	0.8
153.01828	3.2
157.06540	0.3
165.01813	1.0
183.02911	0.4
184.04607	0.3
185.06020	0.6
210.73474	0.3
213.05521	1.1
231.06406	0.5
241.04977	0.5
255.18828	0.3
258.05243	1.1
259.05917	0.8
275.17206	0.3
287.05487	100.0
288.05829	4.5
299.05344	0.4
311.15509	0.3
449.10751	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1654
Annotation	Datiscin
Peak:m/z	Relative Intensity
57.03424	1.7
57.48594	0.4
61.02915	1.6
62.96023	0.4
63.97877	0.4
68.99810	0.5
69.03427	0.6
71.04996	9.1
72.25361	0.4
73.02921	0.4
83.04956	0.9
85.02905	12.5
90.68408	0.4
91.03942	1.0
93.07040	0.4
97.02875	0.8
107.04928	0.7
108.08094	0.4
111.00762	0.4
111.04419	0.4
121.02043	0.6
121.02843	2.7
123.04353	0.5
127.03915	1.0
129.05453	3.2
129.49323	0.4
137.02318	0.4
147.04456	0.4
147.06483	0.8
151.03897	0.4
153.01830	4.3
159.51797	0.4
161.09874	0.4
165.01863	1.4
175.03967	0.4
183.02838	1.1
203.07088	0.4
213.05478	1.1
231.06517	0.6
241.04921	0.6
258.05264	1.1
259.06082	0.6
287.05493	100.0
288.05853	5.7
449.10577	0.6
487.23340	0.7
533.23682	2.0
534.24054	0.5
543.22290	0.6
577.21991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1651
Annotation	kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
53.00053	0.1
62.77731	0.1
63.05511	0.1
63.88221	0.1
64.56149	0.1
65.03944	0.2
66.32194	0.1
68.99798	0.5
69.19426	1.1
71.05036	0.1
81.03410	0.2
108.52287	0.1
109.02887	0.2
111.00819	0.4
115.05501	0.2
119.04957	0.1
121.02847	0.4
123.04422	1.7
124.12160	0.1
127.03928	2.1
129.06909	0.2
131.04967	0.2
135.04428	0.2
137.02338	2.4
137.03371	0.3
139.03891	2.3
143.04915	0.3
144.08086	0.3
145.06491	0.2
147.04410	0.5
149.02380	0.7
150.03119	0.2
151.03882	0.9
151.34340	0.1
157.06467	0.4
161.06036	0.3
163.03896	0.4
165.01834	0.2
165.05537	0.2
167.03452	0.1
171.04413	0.4
173.05841	0.2
175.03899	0.4
179.03415	0.7
185.05931	0.9
189.05464	0.4
191.03377	0.5
193.05055	0.2
199.03879	0.2
203.03381	0.5
213.05450	2.1
216.04262	0.3
217.04865	0.1
231.06435	0.6
241.05017	0.9
242.05756	0.3
245.04486	0.4
257.04596	0.3
259.06006	0.3
263.05362	0.2
269.04428	0.5
271.05804	0.1
275.05463	0.6
287.05481	100.0
288.05838	5.0
291.08615	0.4
299.05573	0.3
301.07101	0.2
305.06537	0.2
317.06418	0.2
409.09061	0.5
425.08597	0.3
433.10965	0.2
443.09494	0.2
449.10818	1.7
451.10257	0.1
595.16577	2.6
596.16681	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1659
Annotation	Isorhamnetin 3-alpha-L-arabinopyranosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
53.03933	0.9
55.01855	1.7
55.05511	1.3
57.03444	4.8
69.03429	3.4
69.08637	6.1
71.01352	0.9
71.04998	26.6
73.02918	2.3
75.04467	1.0
81.07047	0.8
83.04994	2.4
85.02908	31.8
87.04493	1.4
92.02621	0.9
93.03387	1.2
97.02894	3.7
97.99641	0.7
99.04452	1.1
111.04424	2.0
115.03924	4.3
121.02867	2.1
125.17761	0.8
129.05470	9.8
137.02357	0.9
147.06532	2.5
151.03929	2.4
153.01807	7.7
228.04166	1.4
229.04959	2.6
245.04544	1.4
246.05203	2.3
257.04376	1.5
273.03986	2.0
274.04749	3.9
285.03922	4.0
286.04565	0.9
287.05499	7.0
302.04239	12.3
314.04352	0.8
315.04855	1.1
317.06561	100.0
318.06870	5.5
329.06625	6.4
341.06476	1.5
355.08145	1.6
359.07687	6.4
367.08060	1.8
371.07941	0.9
383.07590	5.5
395.07635	2.3
413.08743	8.0
431.09906	5.2
449.10867	6.6
463.18375	1.6
571.47772	0.9
595.21399	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1659
Annotation	Tricetin 3'-rhamnosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
52.06686	2.0
55.01893	2.3
55.05490	2.8
57.03436	13.7
69.03432	16.8
69.38355	12.3
70.58138	1.9
71.05000	51.9
73.02907	13.4
75.04472	10.9
81.07042	2.1
83.04977	7.9
85.02910	69.6
86.09731	3.6
87.04443	2.9
95.04951	2.4
97.02895	13.5
97.06538	2.7
98.22675	3.3
99.04453	3.7
105.07050	2.3
107.04919	2.4
107.08582	2.4
111.04432	6.9
115.03938	6.6
121.02881	6.5
123.04430	2.1
127.03933	7.6
129.05473	17.3
133.06412	1.8
137.02368	8.5
137.05963	2.2
147.04451	2.1
147.06506	5.0
153.01808	10.7
153.05470	3.5
163.03938	2.6
165.01945	3.5
167.07039	4.3
181.04977	6.5
187.04105	2.3
201.05609	2.7
229.04991	4.2
257.04388	2.5
273.03864	2.2
274.04642	4.0
285.03918	3.2
287.05515	100.0
288.05899	6.1
299.05478	6.6
302.04187	8.1
303.04984	83.3
303.08505	2.5
304.05551	4.8
315.04977	18.1
316.05609	3.2
317.06558	35.2
327.04721	5.7
329.06537	4.4
341.06567	5.8
345.06061	20.1
353.06528	4.0
359.07608	2.6
367.08359	3.9
369.06033	11.8
374.41956	2.3
383.07449	2.6
395.07620	5.8
413.08618	16.5
431.09732	10.5
449.10849	32.7
450.10974	4.2
595.19702	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
57.03437	2.3
57.63536	0.2
59.04979	0.3
60.38006	0.2
61.02921	1.7
63.43343	0.3
68.99780	0.4
69.03413	0.7
69.04583	2.5
71.04597	0.5
71.04994	10.5
73.02905	0.6
73.56559	0.2
75.04461	0.5
78.40003	0.2
80.69118	0.2
81.03436	0.3
83.04969	0.6
85.02903	14.2
87.04468	0.3
91.03944	0.7
97.02894	1.1
98.22569	0.4
99.04443	0.3
105.03374	0.3
107.04932	0.6
109.02850	0.3
111.00806	0.4
111.04452	0.5
121.02856	2.1
127.03902	0.7
128.33388	0.3
129.05476	3.6
132.93472	0.3
133.02853	0.6
137.02347	0.7
137.05928	0.4
140.67789	0.2
145.04965	0.4
147.04404	0.5
147.06538	0.9
153.01802	3.3
153.02937	0.3
157.06485	0.3
165.01826	1.8
183.02879	0.7
203.45836	0.2
204.11772	0.2
213.05394	1.2
221.49507	0.3
231.06488	0.5
241.04904	0.7
258.05228	0.7
259.05960	0.4
271.05927	0.4
283.05801	0.4
287.05484	100.0
288.05847	4.7
299.05566	0.7
303.04947	0.6
313.07034	0.6
325.06989	0.3
329.06509	0.6
353.06293	0.4
385.07339	0.3
433.11118	0.4
445.19263	0.3
449.10751	0.9
602.60620	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37080	1.3
60.68785	1.4
61.96100	1.3
62.61469	1.6
69.03428	4.5
69.68504	5.9
69.68914	2.7
71.05000	2.8
74.75982	1.5
79.05490	2.3
81.07052	7.6
85.02926	5.0
91.05457	1.4
92.16471	1.4
95.04991	1.9
97.02904	2.9
102.18399	1.4
105.07014	3.6
109.06522	5.3
109.69332	1.7
119.08602	2.1
127.03941	1.6
129.06996	2.9
133.06503	1.7
133.86528	1.3
137.02409	1.6
137.05956	11.0
145.06467	2.5
145.10114	2.2
149.06003	1.9
159.08128	2.8
161.13252	1.6
173.09674	6.4
181.04962	2.1
185.09673	2.1
187.11261	5.7
189.09076	1.9
199.11165	2.5
213.05408	2.2
215.27969	1.4
222.37486	1.3
233.11678	2.6
264.90952	1.6
287.05490	100.0
288.05875	6.0
293.07867	2.7
303.05054	7.6
341.07840	19.3
347.07611	2.2
407.18408	2.8
417.16940	1.8
421.20087	2.1
435.18079	4.8
440.07944	1.4
449.10678	2.2
453.13474	1.5
453.19275	6.2
466.19388	2.3
467.20264	3.4
471.20346	3.9
479.20746	1.5
498.22183	3.3
504.19095	2.1
507.20386	4.2
512.20074	1.9
525.21075	16.7
534.24365	2.6
542.20715	2.2
543.22345	8.7
560.22034	2.2
561.23419	8.8
570.18842	1.7
595.19354	65.8
596.19672	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94774	1.7
69.03427	4.3
69.25706	13.4
71.04991	3.6
73.02918	2.6
73.85133	1.8
81.07036	6.3
85.02888	4.6
90.36700	1.7
93.07061	2.1
95.04981	2.1
97.02885	4.2
105.07034	2.4
109.06493	3.7
111.08083	2.4
131.08640	1.8
135.04512	1.8
137.02315	2.0
137.05959	9.2
149.09845	1.9
157.06505	2.0
161.09666	2.3
173.09624	2.7
188.47246	1.8
285.07690	2.3
287.05490	100.0
288.05777	5.0
303.05020	5.1
341.07941	10.0
347.07635	4.3
435.18256	2.1
449.11215	2.3
453.19244	4.4
470.18774	2.1
471.19916	2.8
498.22055	4.4
525.21252	7.6
534.23926	4.1
542.20996	2.8
543.21918	5.0
560.22095	9.0
561.23114	5.5
595.19452	27.9
596.19476	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	76.9
60.69053	2.3
69.38199	14.2
78.67334	2.1
81.07037	2.8
81.98570	3.1
83.04989	100.0
95.08612	2.5
136.59543	2.4
211.69218	3.1
234.63950	2.5
249.05664	2.9
251.18591	2.9
264.07745	2.5
269.04468	8.3
276.07895	3.9
276.28928	2.7
277.08633	4.9
279.06549	5.7
291.06497	5.3
292.07211	4.0
293.08032	5.8
295.05887	3.0
305.08072	6.9
307.09616	5.7
309.07651	4.1
312.06259	5.9
313.06866	3.2
319.06070	4.0
321.07547	6.2
333.07455	3.9
334.08270	3.6
335.09088	7.1
336.09555	3.2
337.10657	4.3
339.08560	10.2
352.09592	3.5
353.10172	6.9
363.08527	6.5
364.09494	6.3
365.10107	12.0
367.11829	10.3
377.10126	9.2
383.11078	9.7
395.11130	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.0
55.05513	94.7
56.05844	0.9
57.03430	0.9
57.07071	4.1
67.05507	1.7
69.07054	1.3
71.08627	3.6
73.87613	0.7
74.73504	0.8
81.07059	2.3
83.04981	100.0
83.08639	1.1
84.01904	0.8
84.05299	1.5
85.10159	1.2
91.05455	1.0
93.07031	1.9
95.08616	3.0
98.23412	1.3
105.07035	1.3
109.10139	1.8
131.08560	0.9
143.08501	0.9
152.23753	0.8
153.06931	0.8
157.10133	1.0
159.11644	0.9
165.06955	1.2
173.86583	0.8
176.99229	1.9
180.05751	0.7
197.06023	1.1
203.05319	2.6
205.08322	0.9
218.92783	0.9
221.05954	1.3
223.03973	1.1
223.07547	1.0
224.04721	3.0
225.05392	1.0
234.06525	0.9
235.07547	2.2
236.04683	1.0
237.05540	1.9
238.06393	1.9
240.04056	1.6
249.05484	2.0
249.09059	1.1
250.06314	1.8
251.07092	1.7
252.04121	2.3
253.04741	1.8
261.05585	0.9
263.07004	2.4
264.07767	1.0
265.00781	3.9
265.04984	2.0
266.05750	4.7
267.06482	1.3
269.04465	7.5
270.05099	1.5
277.05020	2.4
277.08389	2.1
278.05740	2.6
279.06476	2.6
279.09839	1.2
280.07217	1.0
281.04453	4.7
281.07162	0.8
283.01947	7.9
287.05579	3.0
289.05096	1.2
291.06400	3.5
292.07291	1.8
293.04562	1.9
293.08090	3.6
294.05151	2.6
294.08249	1.0
295.05981	2.6
296.06781	1.6
297.04001	3.2
298.04697	6.6
303.06561	2.6
305.04767	0.9
305.08105	2.8
306.05414	1.6
306.08902	3.7
307.05905	3.4
307.09451	1.9
309.03909	2.6
309.07352	0.9
309.11102	1.9
311.05502	3.1
313.07040	33.3
313.27310	5.7
314.07297	1.8
319.05856	2.4
321.07581	8.0
322.08182	1.9
323.05582	1.1
323.09091	1.9
324.06281	11.2
325.06876	1.1
326.07971	4.0
327.08627	0.9
333.07623	1.8
334.08493	5.8
335.09106	8.8
336.09900	7.4
337.07028	1.3
337.10458	5.2
339.08621	68.2
340.08911	4.2
350.07727	1.6
351.08615	1.3
352.09512	3.4
353.10214	4.3
353.26761	1.1
363.08615	2.3
364.09323	2.8
365.10205	22.7
366.10675	1.3
367.11758	11.9
368.12048	1.1
377.10190	5.0
380.08966	1.3
383.11163	2.9
395.11307	12.5
396.11520	1.1
415.22260	12.5
433.23361	1.6
438.13211	1.7
595.28540	20.3
595.37689	1.2
596.28510	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2377
Annotation	Icariside E7
Peak:m/z	Relative Intensity
51.76999	2.1
53.03944	2.8
55.01867	3.2
55.05509	2.5
59.04992	4.4
64.79095	1.8
65.03935	2.1
67.05510	3.7
67.36214	2.3
69.03435	18.6
71.04985	1.9
72.79472	1.7
79.05485	18.1
81.03407	1.9
81.07056	77.5
82.07416	3.1
83.04990	4.3
83.70894	1.8
85.02906	2.1
91.05481	14.8
93.07039	7.5
95.04960	8.6
95.08604	4.0
97.02875	4.7
97.06522	1.8
103.05466	2.7
105.07040	15.1
105.07645	2.4
106.07353	2.1
107.04975	4.5
107.08598	5.2
109.06522	31.6
110.06798	1.9
111.04441	3.7
111.08048	3.7
113.02428	3.4
113.76617	2.0
115.05414	3.4
116.06200	2.5
117.07024	14.2
119.04965	4.0
119.08558	10.4
121.06495	9.5
123.04416	3.4
123.08071	5.9
128.06239	10.6
129.07022	19.1
131.04900	2.9
131.08586	16.2
133.06517	6.3
133.10135	5.9
135.08055	6.4
137.05977	90.5
138.06342	3.0
139.07549	3.3
141.06970	9.4
142.07768	6.2
143.08543	22.5
144.09082	2.0
145.06474	11.9
145.10129	10.0
146.07231	4.0
147.04376	3.8
147.08067	11.5
147.11719	2.2
149.05995	11.0
149.09619	2.8
151.07628	2.9
153.05455	4.9
153.07021	3.2
154.07828	9.4
155.08542	19.3
156.09326	4.5
157.06525	10.6
157.07564	1.9
157.10106	9.0
159.08055	13.4
159.11674	4.6
160.08870	2.3
161.05971	4.2
161.09653	12.9
163.07523	4.9
163.11165	2.7
163.15933	1.9
165.05579	2.5
165.06989	6.2
166.07739	4.0
167.07179	3.0
167.08551	6.7
169.06528	4.8
169.10149	13.7
170.07236	2.0
171.06718	1.9
171.08025	11.3
171.09328	1.9
171.11659	4.8
172.08734	3.9
173.05922	2.6
173.09627	14.3
174.10260	2.2
175.03880	2.2
175.07564	8.6
175.11176	4.2
177.09120	2.9
178.07762	2.4
179.07185	2.2
179.08571	5.7
180.09386	3.5
181.06621	2.1
181.10117	10.7
182.10637	2.1
183.08026	9.1
183.11649	4.9
184.08817	2.8
185.06010	4.9
185.09622	17.1
186.10342	12.2
187.07571	3.5
187.11195	19.0
188.11525	2.6
189.09111	17.1
191.06955	2.2
191.10648	2.5
192.09340	3.0
193.04990	2.2
193.08546	2.9
193.10098	7.2
194.07146	2.3
194.10767	4.5
195.08023	5.4
195.11705	7.1
197.09674	11.5
198.10254	2.3
199.07541	4.2
199.11162	6.9
201.05440	2.0
201.09094	8.9
201.12688	2.9
203.07005	4.4
203.10674	6.4
205.08517	4.5
205.10210	3.2
207.08144	3.6
207.11720	5.7
209.09558	5.6
209.13214	4.5
211.07565	4.6
211.11174	7.7
213.09109	5.7
213.12732	2.4
215.10603	4.1
217.08525	3.8
217.10344	3.1
217.12218	3.0
218.10732	2.4
219.11835	2.8
223.11150	6.8
225.09076	8.2
225.12708	5.4
227.10686	3.9
227.14343	3.1
229.08469	2.7
231.10046	2.8
235.11208	6.7
236.11629	3.5
237.09082	3.2
237.12689	4.9
238.13022	2.7
239.10606	3.0
239.14230	2.8
241.12282	3.5
246.10368	2.2
247.11226	5.8
249.12714	4.3
251.10809	4.1
251.13945	2.2
253.08662	3.0
253.12210	4.4
255.13853	5.0
259.11288	3.1
261.11093	5.3
263.10971	3.0
263.14120	2.4
265.12262	5.2
266.12946	3.0
273.12488	2.1
277.12222	2.7
283.13272	3.3
287.05472	7.5
297.11819	2.0
303.13696	2.7
323.12665	2.0
329.15417	1.8
359.16516	2.9
364.16077	2.3
389.17035	2.5
403.19312	2.5
415.19260	3.1
419.18695	5.0
420.18860	5.0
421.20071	4.5
431.18488	6.5
433.20352	3.0
435.17496	2.4
437.19434	5.9
438.20032	2.8
439.21008	3.2
443.19098	2.4
447.17984	6.8
449.19720	24.0
450.20068	3.5
451.21542	3.7
452.17770	3.7
454.23129	3.3
459.18164	4.0
461.19598	7.8
465.18890	6.1
466.19446	5.6
467.20816	15.8
470.18774	6.5
477.19043	12.5
478.19528	2.6
479.20636	18.8
480.20926	3.2
481.22110	6.0
483.19980	3.1
486.17514	2.1
487.17535	3.9
489.20117	2.7
495.20117	20.3
497.21640	8.0
502.20984	2.9
505.18500	10.1
506.18942	3.5
507.20117	5.2
512.19958	6.8
513.21332	24.9
514.21106	6.8
515.22308	5.4
516.23236	18.0
523.19617	28.4
524.19702	9.1
525.21033	13.3
531.22009	3.4
541.20685	100.0
542.13568	3.0
542.21167	42.6
543.22290	9.4
559.21631	34.2
560.22083	32.5
561.23059	2.6
577.22784	16.4
578.23090	5.8
595.25330	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.2
55.05511	91.2
56.05849	1.5
59.05007	0.4
67.05511	1.5
69.03444	2.6
69.07072	0.9
69.12018	3.2
71.04976	0.5
77.29388	0.4
79.05490	6.4
79.56974	0.4
81.03429	0.5
81.07056	24.6
83.04980	100.0
84.05312	1.5
85.02914	1.1
87.79552	0.4
91.05480	3.9
93.07034	2.4
95.04956	2.6
95.08591	2.4
97.02917	1.7
97.06548	1.6
99.04463	1.4
103.05472	0.8
105.07014	2.9
107.04984	1.0
107.08611	1.3
109.06519	11.4
109.10154	0.9
110.43095	0.4
111.04443	1.0
111.08083	0.6
115.05459	1.1
117.07032	1.8
119.04932	1.3
119.08604	2.6
120.05768	0.5
121.06496	1.9
123.04477	0.5
123.08076	1.8
125.06012	1.4
128.06239	1.4
129.06990	2.1
131.04958	1.1
131.08585	1.6
133.06474	3.0
133.10130	0.7
134.07289	1.0
135.04460	0.5
135.08055	1.4
137.05975	29.1
138.06313	0.9
139.07536	0.8
141.06984	2.1
142.07784	0.7
143.08548	2.6
144.05806	0.5
145.06482	6.6
145.10136	0.6
146.07222	0.7
147.08060	3.4
149.05991	1.6
149.09624	0.5
151.07536	1.1
153.05464	2.8
153.06883	0.7
154.07799	0.5
155.08545	2.8
157.06477	2.3
157.10115	0.8
157.17447	0.4
159.04419	0.7
159.08044	2.9
161.05980	1.3
161.09645	1.6
162.06763	2.8
163.07520	3.1
165.05717	0.5
165.06964	2.2
165.09113	0.6
166.07794	0.8
167.07159	0.7
167.08566	1.9
168.09256	0.6
169.06482	1.4
169.10078	1.3
170.07321	0.8
171.08047	6.1
171.11667	0.5
172.08748	0.6
173.06000	1.2
173.09695	1.2
174.06761	0.7
175.07567	1.8
175.11238	0.5
177.09131	0.6
178.07716	2.3
179.08543	2.6
180.09355	0.8
181.06534	1.1
181.08594	0.5
181.10199	1.6
182.07292	0.8
183.08031	4.4
183.11586	0.9
184.08827	1.2
185.05997	1.1
185.09602	3.3
187.07539	3.5
188.08212	0.7
189.09103	0.7
190.07831	0.7
191.08562	1.5
192.09348	1.3
193.06393	0.5
193.10193	2.0
194.07254	0.7
195.08026	2.9
195.11766	1.1
196.08873	1.2
197.05997	0.9
197.09630	3.9
197.13354	0.6
198.10332	1.0
199.07632	2.2
199.11235	1.5
200.08368	1.6
201.05472	0.5
201.09079	3.8
202.07822	1.0
202.09686	0.7
203.08527	1.2
203.10521	0.6
204.09355	1.3
205.06616	0.7
205.10135	2.5
206.10831	0.7
207.08119	1.6
207.11665	2.2
208.08833	1.3
209.09618	3.4
209.13266	0.8
210.10454	1.0
211.07500	2.5
211.11076	2.3
212.08293	1.0
213.09146	1.8
213.12912	0.6
214.10045	0.4
215.08696	1.0
216.09413	1.0
217.10281	2.2
217.91902	0.4
218.10774	0.8
219.08081	1.6
219.11656	2.1
220.08868	1.6
221.09592	3.0
222.10403	1.5
223.07553	0.9
223.11208	2.9
224.08308	0.7
224.12065	0.4
225.09181	2.7
225.12740	1.2
226.09752	0.6
227.10622	2.5
228.09486	0.7
229.08371	0.8
229.10287	1.1
230.10985	0.6
231.08040	0.8
231.11786	0.9
232.08885	1.2
232.12582	0.5
233.09628	2.8
233.13307	1.0
234.10423	1.4
235.07561	1.3
235.11171	4.2
236.08182	0.5
236.11911	1.3
237.09113	2.3
237.12717	2.5
238.13582	0.8
238.88506	0.4
239.10715	1.9
239.14340	1.0
241.08405	0.6
241.12251	0.7
242.11063	0.6
243.10191	1.5
243.13858	0.7
244.12480	0.8
245.09705	2.0
246.10362	1.5
247.11198	3.7
247.14891	0.9
248.08301	0.6
248.11942	1.6
249.09175	1.3
249.12750	2.7
250.09961	0.7
250.13475	0.7
251.10641	3.0
251.14409	0.9
252.11505	0.6
253.08597	1.0
253.12190	2.5
254.13008	1.1
255.10132	1.3
255.13892	1.0
257.09473	0.9
257.13568	0.6
258.10443	0.9
259.11148	1.8
259.14853	0.6
260.11942	0.9
261.09103	1.0
261.12732	1.4
263.10739	2.8
263.14261	1.5
264.11487	0.7
265.12256	3.8
265.15976	0.9
266.13123	0.5
267.10153	1.5
267.13812	1.4
269.11807	0.6
270.10260	1.1
271.09567	0.6
271.13342	1.2
272.12000	0.6
273.10873	3.4
274.13464	0.7
275.10696	1.8
275.14319	2.9
276.11285	0.9
276.15186	0.6
277.12259	2.9
277.15707	0.6
278.13034	1.2
279.10388	0.9
279.13846	1.5
281.11777	3.2
281.15164	0.7
282.12521	0.9
283.13336	1.3
284.11847	0.6
285.09155	0.6
285.12659	1.9
286.12244	0.6
287.10837	0.7
287.14377	1.8
289.12265	0.8
291.13766	1.6
292.14447	0.5
293.11743	2.0
293.15457	2.9
294.15961	0.6
295.09860	0.8
295.13376	1.8
297.11279	0.8
299.12695	7.1
301.12259	0.9
303.10513	0.7
303.13834	3.0
305.11850	0.6
305.15335	1.3
307.13361	1.0
309.11365	1.0
309.14951	1.2
311.12872	0.8
315.13824	2.3
317.11771	0.6
317.15302	0.9
319.13309	1.1
321.11353	0.9
321.14948	1.5
323.12854	1.3
323.16443	1.0
325.14502	0.6
329.14038	0.5
333.14886	1.9
335.12823	0.6
335.16434	1.0
339.12277	1.4
339.16028	0.7
341.13840	0.6
345.13251	4.1
346.14063	7.4
349.14441	0.9
351.15970	1.4
353.13913	0.6
355.16467	0.5
357.13290	10.4
358.13867	0.7
361.14374	1.1
363.15741	1.0
363.19705	0.7
365.17535	1.4
369.17249	0.8
373.13986	0.6
373.18045	1.1
375.14978	1.5
379.15305	1.4
383.16351	1.1
385.18176	1.0
389.17468	1.1
391.15036	1.1
391.19116	4.1
392.19901	1.6
397.16422	5.3
399.15527	0.7
401.17532	5.4
402.17953	1.9
403.18951	2.8
405.16760	0.9
407.18637	1.1
409.16483	1.3
413.16205	5.3
415.18567	1.5
417.17068	0.8
419.18634	17.3
420.19177	6.0
421.20151	2.4
431.18625	3.5
432.18735	0.5
433.20221	2.5
437.20023	5.4
441.17218	1.5
449.19537	7.3
450.20117	0.8
451.21255	0.8
459.18011	4.2
467.20718	7.3
468.20859	0.5
477.18991	4.9
478.19653	0.6
495.20123	56.0
496.20499	5.5
497.21320	0.6
511.19553	4.0
512.20355	9.4
513.21136	1.6
577.24121	1.5
595.25323	16.0
596.25446	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95639	0.8
55.05492	1.0
61.36084	0.9
69.07085	1.3
70.79521	1.8
83.05026	1.2
91.05502	1.3
93.07069	1.4
97.44080	0.9
98.23166	1.4
105.07047	1.4
124.11913	0.9
133.10143	1.6
145.10143	1.3
159.33209	0.9
194.76743	0.9
264.33090	1.0
387.18301	1.6
425.13446	5.4
595.26727	100.0
596.27118	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.7
55.05523	7.9
55.15924	1.4
57.03437	6.3
67.05506	33.3
69.07076	7.5
69.98589	1.7
69.98931	4.7
74.09716	10.9
79.05496	16.8
81.03424	12.5
81.07056	29.3
83.04993	2.2
83.08646	3.4
85.02910	2.4
91.05488	11.6
93.07051	18.9
95.04991	2.3
95.08605	23.3
97.10240	1.2
98.98463	29.6
99.04456	1.6
105.07050	4.3
107.08601	11.0
109.02911	8.1
109.10160	9.1
117.07008	1.4
119.08591	4.4
121.10134	6.7
123.11670	3.2
127.03901	2.6
131.08603	3.2
133.10152	6.0
135.11723	3.5
137.09642	1.9
137.13242	2.2
145.10138	3.1
147.11687	1.8
149.13280	2.8
155.01093	1.9
161.13316	2.8
163.06027	2.4
243.21217	1.4
261.03687	9.9
261.22195	4.3
317.24844	3.2
324.54257	1.3
335.07422	2.7
335.25812	100.0
336.26257	6.3
489.41510	1.4
540.17938	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	12.6
56.05033	1.9
59.76908	1.1
65.03934	2.9
68.99791	3.0
69.28207	8.2
70.02950	4.8
74.00666	1.7
76.03989	2.6
78.61099	1.1
83.06101	11.5
84.04508	23.1
85.02882	1.5
93.03400	2.0
99.05560	4.1
107.06079	2.2
109.07632	3.7
110.06054	2.0
111.04448	4.1
112.03960	9.6
116.01671	2.3
119.04900	3.8
121.01140	1.9
123.04441	8.5
124.04774	1.7
127.03920	11.6
128.04243	2.1
129.05679	1.8
129.06598	19.2
129.52835	1.2
130.05000	37.5
135.02647	3.4
135.04414	2.0
135.05545	1.9
136.02151	1.9
137.00581	1.8
139.03903	87.2
140.04228	5.6
141.00026	2.5
145.06087	16.7
147.04422	6.9
148.05200	9.8
149.00589	9.4
149.02312	1.4
149.04720	2.0
151.02139	2.8
151.03888	4.0
152.04224	1.8
153.03676	3.4
153.06552	4.6
155.01622	28.2
155.08162	4.6
162.02350	1.4
162.03752	5.5
162.05469	10.1
163.02150	12.1
163.03888	27.5
163.06033	2.6
164.01620	1.4
164.04216	2.4
165.00078	4.6
165.05458	1.5
167.01653	6.4
167.03236	1.1
175.06288	4.8
176.04301	1.4
179.01617	21.7
179.03363	5.0
180.03754	2.0
181.03191	22.5
181.06084	2.4
182.02704	4.3
183.01111	5.1
184.04315	1.8
187.02029	1.2
189.05501	1.6
190.03204	4.3
191.01672	3.2
191.03343	1.6
193.03172	1.4
194.05556	1.4
195.01096	2.5
196.04262	10.0
199.02119	1.5
199.07127	4.8
201.05566	1.3
203.03415	3.3
204.03755	2.9
204.28984	1.5
207.00989	1.9
208.04271	32.9
209.02657	4.3
219.01007	2.3
220.04259	1.8
226.05295	7.0
227.05519	1.4
229.03079	1.8
229.05019	1.9
236.03902	1.9
242.05534	2.2
245.02284	1.3
247.05865	2.5
254.04904	1.3
257.02554	7.3
258.04926	2.3
265.06506	1.6
270.05304	6.1
271.05933	2.5
272.06357	1.4
275.05435	1.4
276.05814	1.5
282.04324	5.3
285.02200	5.2
287.05386	25.8
288.00836	3.1
288.05804	33.4
291.08673	1.7
296.06702	2.3
299.07013	30.8
300.06030	1.7
303.02902	82.2
304.03503	5.0
311.06940	100.0
312.05157	4.4
312.07852	3.2
321.04282	1.6
329.04642	5.5
329.07986	21.6
330.08450	1.7
346.07248	2.2
353.07962	3.0
365.07874	1.9
383.09073	16.5
384.09262	1.6
409.08963	2.2
410.09470	1.7
426.08743	1.9
449.10101	21.1
450.10757	2.1
452.10178	1.5
458.12274	27.6
459.12289	2.6
503.11188	20.2
521.12311	14.8
578.14069	1.5
596.16345	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	23.4
56.05021	1.4
58.99577	1.0
65.03937	1.9
67.01846	0.9
67.05512	1.3
68.99781	2.3
74.00673	3.2
76.02231	1.6
76.04015	3.6
81.03427	2.5
81.18810	1.0
83.06103	11.2
84.04502	37.4
85.02895	1.7
95.04979	1.2
97.02885	1.2
99.02699	5.6
99.05570	1.8
102.00050	1.0
102.05566	1.3
111.04463	2.9
112.03967	23.1
121.02838	1.0
123.04430	4.6
127.02139	22.4
127.03939	1.9
128.03444	1.2
129.06587	16.9
130.04997	95.7
131.05164	1.4
135.02635	10.2
139.03893	78.1
140.04239	2.6
145.06110	1.7
147.02655	1.8
147.04437	2.0
147.07697	2.0
148.05264	1.3
149.00600	1.2
151.02191	2.0
151.03912	4.0
153.03737	1.2
153.06609	2.7
155.01610	30.4
156.01877	1.2
163.02162	15.8
163.03917	23.0
165.00058	1.9
165.05472	1.9
167.01576	2.1
175.02156	3.5
177.05467	1.5
178.03180	2.9
178.79912	1.0
179.01625	26.3
179.06886	1.0
181.03206	6.4
181.04765	2.0
183.01105	50.0
184.01373	1.3
189.00096	3.0
191.01611	16.7
195.01158	1.4
196.04323	4.6
199.07205	1.4
203.01619	8.9
207.01163	3.3
208.04250	3.7
209.02641	16.3
213.05475	1.9
219.01089	1.7
220.04277	1.2
226.05319	6.6
229.05095	1.3
237.02191	4.1
241.04990	2.1
242.05751	3.6
257.02722	1.1
269.04517	1.1
270.05307	5.0
271.05905	2.1
275.03705	2.2
281.05945	3.8
282.04288	11.9
287.05478	2.5
288.05978	3.4
292.06339	1.1
299.06873	2.7
303.03146	20.4
311.06659	1.2
312.05338	21.3
329.07996	100.0
330.08344	5.3
346.07376	2.5
347.05710	2.3
357.04227	1.9
365.08142	1.2
382.06848	1.0
383.09042	19.2
384.09314	1.7
391.39682	1.0
432.07443	2.2
440.11176	3.2
441.09775	1.9
449.10117	5.2
458.12262	47.4
458.18719	2.5
459.12549	3.6
460.23474	1.1
503.11014	5.1
519.77136	1.3
521.12268	13.1
522.12744	1.7
531.30792	1.0
578.14246	1.6
596.15375	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56915	4.9
66.92632	4.9
69.03427	12.2
69.19964	11.0
69.20365	33.6
71.45184	4.9
78.53654	5.0
79.05480	12.9
81.07059	87.2
90.30865	5.1
91.05483	18.0
93.07059	12.0
95.04959	5.1
97.02947	5.5
97.06541	9.6
104.05781	5.1
105.07047	9.7
107.04990	5.5
109.06507	28.4
115.05455	6.0
117.07030	11.3
119.08604	10.7
119.63566	5.5
121.06492	4.9
123.08051	6.6
127.60163	5.5
128.06221	7.6
129.07031	7.0
131.08568	14.0
133.06528	7.2
133.10133	8.1
135.08098	6.7
137.05977	100.0
139.07558	5.3
142.07733	7.9
143.08612	35.8
145.10135	8.5
147.08029	7.2
153.05461	15.1
153.06920	5.1
155.08559	13.0
157.10121	8.0
159.08096	17.6
159.11655	8.7
160.08788	5.6
161.09630	11.7
169.10129	12.2
171.08003	6.8
171.11714	14.5
173.09656	10.0
175.07578	6.9
179.08264	5.4
181.10086	8.7
185.09657	13.4
187.11177	26.5
197.09595	10.0
199.11169	8.1
201.12775	14.8
205.08685	5.7
213.09450	5.4
225.09120	5.0
227.10641	10.0
239.10538	6.6
247.11267	6.3
249.12717	8.9
254.03598	5.7
263.10568	6.7
265.12262	10.3
379.24652	6.5
415.18903	9.4
421.19962	20.7
423.21454	7.1
433.19916	27.8
435.21359	11.0
443.18808	6.4
445.20126	9.9
451.21185	57.3
453.22882	9.0
461.19586	19.3
463.20972	12.2
467.20544	21.3
469.22144	48.2
470.22174	7.9
479.20520	20.2
481.22284	12.7
485.93890	5.9
489.18777	13.9
497.21585	44.9
499.23386	8.5
507.19916	25.0
525.21179	96.2
526.21240	11.4
543.21912	32.6
561.23303	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.7
66.85114	2.9
67.05498	5.6
68.25681	2.5
69.03435	16.5
79.05500	3.3
81.07054	7.3
81.98866	3.2
91.05492	6.0
93.07052	5.0
94.65126	3.1
95.04983	4.7
95.08653	5.1
97.06570	3.2
98.22614	6.4
105.07041	10.2
106.78884	3.0
107.05022	3.5
107.08630	5.7
109.06544	6.2
111.08131	6.2
114.07079	2.9
117.07036	3.6
119.08601	7.2
121.06531	8.2
123.08069	3.9
128.06238	3.5
129.07007	4.8
131.08577	8.7
133.10147	3.6
135.08028	3.9
135.11766	3.5
137.05983	11.2
139.07581	5.9
141.07043	3.7
143.08539	8.0
145.06465	3.1
145.10138	5.3
147.04437	3.2
147.08101	5.5
155.08574	9.0
157.06570	4.1
157.10094	7.4
159.08058	6.3
161.09662	12.4
169.10199	6.2
171.08112	7.9
171.11723	4.8
173.09612	8.3
175.07567	7.0
175.11134	4.2
183.08041	4.1
185.09648	7.1
187.07564	3.5
189.09145	6.9
193.08492	3.1
193.10172	4.1
195.08130	4.0
197.09700	2.9
199.11142	4.3
201.09120	6.1
203.10706	9.5
209.09712	6.0
211.11133	5.0
213.09308	3.7
215.10670	4.2
227.10654	6.6
239.10828	4.3
249.12701	4.2
255.10052	3.7
263.14215	3.6
277.12372	3.7
281.15402	3.4
295.13235	4.7
349.18054	3.5
377.17346	5.3
383.18860	3.2
395.18469	10.1
411.17856	5.1
419.18597	3.4
421.16037	7.1
423.17545	3.4
433.20206	4.6
435.21527	5.7
437.19128	4.4
439.17517	12.0
441.19067	16.2
451.21127	4.1
455.20547	7.2
457.18576	14.8
461.19672	4.6
463.21008	6.4
465.18784	9.5
467.16953	9.1
479.20474	10.9
481.22018	8.9
483.20279	18.7
484.20355	4.2
485.17828	19.5
489.19232	5.3
497.21664	20.7
499.22421	4.7
501.21210	25.3
502.22037	5.0
507.20120	24.0
508.21030	6.8
515.22699	9.0
517.23767	5.8
525.21240	78.4
526.21649	7.7
537.20837	5.1
543.22302	93.0
544.23102	6.5
561.23279	20.5
586.32068	3.9
597.23242	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.8
67.05482	2.3
68.39772	0.5
71.28751	0.6
79.05495	1.2
80.77028	0.5
81.03415	1.0
81.07027	1.7
86.85976	0.6
91.05463	2.9
93.07054	1.5
95.04951	1.1
95.08614	1.0
97.06525	1.1
98.09686	1.0
98.23398	1.2
105.07009	1.9
107.04935	2.4
107.08579	0.7
109.10165	1.2
115.05443	0.7
119.08578	1.3
121.06479	1.0
121.10106	0.9
126.09061	0.6
128.06194	3.4
129.07018	9.2
131.08485	0.7
133.06491	2.5
133.10126	2.2
137.05978	0.8
143.08533	4.2
145.06470	1.7
146.07260	3.2
147.08105	1.3
148.01512	0.6
157.06503	9.5
158.06877	0.7
159.08060	1.4
161.05957	1.0
161.09619	16.7
162.10017	0.7
167.06999	1.0
169.10095	1.0
171.07959	2.9
174.06750	11.6
175.07556	1.9
181.04956	5.9
181.08516	1.3
184.07410	1.5
187.07495	1.3
188.08305	0.6
189.09100	51.8
190.09573	1.9
191.07098	0.8
195.06448	0.8
195.10178	2.2
199.72684	0.7
206.09380	2.9
206.45490	0.6
207.06487	2.6
217.08592	13.3
219.06544	1.0
221.11723	53.9
222.11983	2.3
234.08876	1.7
245.13850	0.9
249.11212	100.0
249.75661	0.7
250.11607	4.8
263.12784	0.6
301.16666	0.9
321.19266	0.7
399.18124	1.0
399.23590	1.0
417.19049	38.9
418.19418	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	1.4
55.01868	1.8
55.05504	1.7
57.03437	2.2
61.58575	1.4
66.46004	1.4
67.05508	3.2
69.03435	8.4
69.07066	2.5
69.08899	8.9
69.09316	4.6
79.05479	10.0
81.07054	42.3
83.04975	3.0
85.02953	1.8
87.02378	1.6
91.05475	10.8
93.07054	6.1
94.91687	1.7
95.04984	4.7
95.08609	4.4
97.02912	2.7
97.06538	24.7
103.05421	1.9
105.07020	9.5
107.04966	3.1
107.08605	4.3
109.06522	21.4
109.10130	2.1
111.04440	3.9
111.08076	3.6
115.05480	1.6
115.46632	1.5
117.07014	9.7
119.04957	5.2
119.08575	7.1
121.06532	6.5
121.10147	2.2
123.08069	8.2
123.86872	1.6
125.06020	2.8
125.27147	1.4
128.06236	6.4
129.06987	10.2
131.04919	2.1
131.08569	12.1
133.06493	4.6
133.10146	5.5
135.04448	2.0
135.08051	4.1
137.05974	57.2
138.06317	2.1
139.07507	3.8
141.07016	7.1
141.35112	1.5
142.07805	7.2
143.08559	22.1
144.05734	1.8
144.09167	1.6
145.06508	5.9
145.10117	7.0
147.04335	3.4
147.08037	6.6
147.11678	2.3
149.06053	4.3
149.09612	3.2
151.07523	4.2
153.05606	1.7
153.06976	3.4
154.07735	2.1
155.08545	9.2
156.09320	2.8
157.06522	4.6
157.10103	12.5
158.07272	3.2
159.08043	15.6
159.11679	6.4
160.08823	1.4
161.05937	2.7
161.09601	8.4
163.07495	2.6
163.11150	1.6
165.07028	4.2
166.07742	3.7
167.08578	5.3
168.09396	3.7
168.79881	1.5
169.06613	2.1
169.10141	9.6
171.08069	5.4
171.11661	8.7
173.03497	1.9
173.05984	2.1
173.09567	8.8
175.07576	4.7
175.11237	3.1
179.08560	3.3
181.10083	8.8
183.08119	3.6
183.11714	5.0
184.08807	2.6
185.09601	13.1
186.10136	1.9
187.07588	4.9
187.11151	12.6
188.11870	3.3
189.09126	10.3
189.12776	2.1
191.10788	2.3
192.09369	2.2
193.10201	3.2
195.08023	4.0
195.11769	1.5
197.09608	6.0
199.07559	4.5
199.11198	12.4
200.11975	1.9
201.09140	4.6
201.12750	12.8
203.08783	1.7
203.10765	4.3
205.08572	3.7
207.10120	2.9
207.11813	2.8
209.09612	8.6
209.13332	3.1
211.07596	2.2
211.11095	4.2
213.09195	4.3
213.12764	2.7
215.10672	1.9
217.08519	2.6
217.12311	4.0
221.09668	3.4
221.13310	3.1
222.10425	1.9
223.11166	2.8
225.09048	3.7
225.12651	2.6
227.10664	14.5
227.14262	1.8
228.11368	2.0
231.11742	2.7
233.13441	2.4
235.11345	2.7
236.11830	1.6
237.09160	3.1
237.12747	4.0
239.10730	2.7
239.14244	2.1
241.12262	2.4
245.11806	6.8
247.11256	3.4
248.11743	2.4
249.12682	5.0
251.10690	2.4
251.14304	2.1
253.12311	2.4
261.12653	3.1
263.14413	1.7
265.12296	2.6
267.13812	4.4
268.14694	1.8
275.14246	1.9
277.12274	3.5
278.12997	3.3
279.13831	4.3
281.11655	1.8
289.12103	2.5
289.15692	2.1
295.13538	2.5
301.15842	1.7
303.13962	1.9
305.11792	2.7
319.17017	1.6
333.13129	3.5
335.16290	2.6
345.14859	3.0
347.20236	1.8
349.17783	2.0
359.15329	2.3
363.15778	2.3
363.19788	2.7
371.15076	3.4
377.17435	2.3
387.19614	2.9
389.16544	2.1
389.21255	1.9
393.20380	2.2
403.19183	1.9
405.20825	1.9
415.18805	5.8
417.20737	6.1
421.20313	11.3
423.21683	4.5
425.16772	2.0
431.18753	2.2
433.20071	12.1
435.21469	8.2
443.18457	4.7
445.20200	3.7
449.19321	5.2
451.21213	27.0
452.21841	2.2
453.22845	3.5
461.19565	15.3
463.21133	6.4
467.20764	9.2
469.22705	20.3
470.22995	2.0
471.18423	3.7
479.20685	26.5
480.21225	1.7
481.22247	15.1
489.19119	21.9
490.19193	2.1
497.21643	56.9
498.21790	9.2
499.23251	22.2
500.23434	2.6
507.20065	27.3
508.20380	2.2
523.07965	1.6
525.21167	100.0
526.21527	12.4
543.22113	49.9
544.22546	4.5
561.23242	43.9
562.23303	4.2
596.21674	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29904	1.0
55.05501	1.5
57.03422	1.3
62.60668	1.0
69.03432	6.0
69.61607	5.9
73.02895	1.0
79.05508	6.2
81.07053	42.3
82.07413	1.3
83.04998	1.9
85.02896	3.3
91.05477	7.3
91.60929	1.1
93.07029	4.2
95.04962	5.6
95.08627	2.0
97.02900	3.6
97.06541	3.0
98.23378	1.2
103.05450	1.2
105.07014	5.3
107.04947	2.2
107.08582	2.3
109.06511	18.9
111.04448	3.2
115.03947	1.3
115.05496	1.8
117.07021	4.0
119.04939	1.2
119.08581	3.5
121.06512	4.0
121.10162	1.6
123.04499	1.1
123.08051	2.5
124.87711	1.3
128.06213	2.9
129.06987	8.7
131.04958	2.7
131.08553	7.3
132.05727	1.3
133.06505	9.2
133.10178	1.9
135.04417	1.7
135.08064	3.4
137.05972	64.5
138.06343	2.2
139.07581	1.9
141.06985	3.3
142.07755	3.0
143.08588	7.7
145.06483	10.7
145.10109	9.2
146.07301	3.1
147.04427	1.7
147.08031	7.3
147.11662	1.7
149.05954	3.0
149.09595	1.8
153.05467	2.6
153.07124	1.4
154.07602	1.1
154.12691	1.0
155.08531	7.1
156.09346	1.7
157.06523	2.4
157.10112	4.7
159.06009	1.1
159.08037	13.6
159.11693	4.1
160.08665	1.4
161.09589	7.3
163.07529	3.0
165.05528	1.4
165.06946	1.4
166.07733	1.4
167.07120	1.9
167.08562	2.8
169.06444	1.3
169.10138	5.2
171.08069	4.9
171.11702	2.5
172.08859	2.6
173.05980	1.7
173.09610	38.2
174.10146	1.9
175.07585	2.9
175.11209	3.6
177.09210	1.2
179.08461	1.7
180.09372	1.3
181.10077	5.9
183.08075	3.0
183.11687	2.0
185.09641	9.9
187.07628	3.4
187.11171	33.3
188.11433	1.9
189.09065	7.3
189.12756	4.5
191.07071	2.6
193.08562	1.7
195.08020	1.2
195.11746	2.8
196.08922	1.2
197.09619	3.8
199.07542	1.8
199.11159	8.7
201.09103	3.1
201.12727	2.8
203.10751	2.2
205.08606	1.3
207.11789	1.3
209.09630	4.6
209.13194	1.2
210.10254	1.2
211.07594	2.0
211.11124	2.7
212.08313	1.4
213.09114	2.2
213.12776	2.1
215.10663	3.7
217.08560	3.0
217.12195	2.3
219.10062	1.2
221.09642	2.4
223.11229	3.9
225.09085	1.5
225.12730	4.3
227.10664	6.4
227.14209	1.3
229.08578	1.5
232.08885	1.3
233.09616	1.2
233.11690	20.4
234.10265	1.3
235.11240	2.7
237.09088	3.0
237.12759	4.2
239.10680	2.6
239.14270	1.7
240.11310	1.2
241.12263	2.3
243.10080	1.3
245.11649	2.6
247.11345	1.7
249.09064	1.7
249.12779	2.0
251.10667	4.4
251.14348	1.2
252.11351	2.1
253.12187	3.1
255.10158	1.6
255.13875	3.0
256.14505	1.2
261.12778	1.5
263.10611	3.0
265.08963	0.9
265.12244	4.6
266.12997	2.0
267.13858	3.8
268.14395	1.2
269.11636	2.4
269.15216	1.7
277.12247	3.1
279.10129	1.4
279.13718	2.0
281.11658	1.9
284.14059	2.0
287.05511	3.5
288.05856	4.6
294.12476	1.3
295.13339	2.4
297.15079	1.3
303.05057	5.7
304.05359	3.1
305.11865	1.4
311.12811	2.3
343.16656	1.4
389.17480	5.2
391.19083	1.7
399.15833	1.5
403.18915	2.8
407.18503	22.2
413.17313	1.2
417.16718	8.3
419.18494	3.0
421.20111	20.4
422.20151	2.2
429.16983	1.8
431.18454	11.5
433.20175	2.6
435.17776	30.0
436.18185	2.3
437.19495	3.9
445.20157	1.3
447.17853	3.8
449.19513	8.2
450.20215	1.2
451.21463	1.8
453.19040	43.6
454.19324	4.4
459.18079	1.6
461.19357	4.0
463.21170	4.0
465.18997	5.9
467.20670	23.8
468.20969	2.5
469.18372	2.4
471.20294	11.6
477.19016	10.1
478.19342	2.3
479.20676	7.3
481.22256	1.8
483.19989	5.0
489.19370	6.6
495.20016	14.7
496.20486	2.5
497.21600	5.5
507.19995	14.1
508.20435	2.3
513.21143	9.1
525.21185	100.0
526.21478	12.5
543.22229	37.3
544.22516	4.3
561.23254	57.8
561.32123	2.0
562.23608	8.1
596.19537	3.8
596.28101	5.3
597.20245	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37376	0.9
55.01873	1.9
65.06068	1.1
67.05505	2.4
69.03431	15.6
69.07051	1.1
70.07889	4.2
79.05487	2.8
79.26324	1.1
81.07066	4.2
83.52987	1.0
85.02895	2.6
87.04505	1.1
91.05481	5.8
93.07039	5.2
95.04969	2.3
95.08611	2.7
97.02878	2.1
97.06541	2.6
98.23412	1.2
100.19782	1.0
105.07049	5.9
107.05016	1.2
107.08611	3.1
109.06528	7.2
111.04410	1.1
111.08069	2.9
111.54310	1.0
113.02371	3.5
115.03867	1.6
115.05450	1.5
117.07042	2.7
119.04948	3.0
119.08595	4.1
121.06525	3.7
121.10158	2.3
123.04443	2.6
123.08084	5.8
127.03919	4.1
128.06168	1.0
129.07004	3.2
131.08571	5.3
133.06511	3.2
133.10106	3.2
135.08054	3.0
137.05978	8.4
137.09578	1.8
139.07556	5.4
141.06975	2.9
142.07761	1.9
143.08595	5.3
145.06490	2.1
145.10136	3.6
147.04401	5.2
147.08061	2.9
147.11707	1.7
149.05975	2.1
149.09595	1.7
151.03867	1.4
151.07545	2.9
153.05444	1.2
155.08549	4.4
157.06512	2.2
157.10139	4.6
159.08087	4.9
159.11705	4.7
161.06010	2.6
161.09605	3.1
163.07516	1.8
163.11107	2.5
165.05510	2.6
167.08577	1.7
168.09283	2.2
169.10136	3.9
171.08035	2.9
171.11678	1.3
173.09605	5.9
173.13249	3.0
175.03737	4.1
175.07509	2.6
175.11211	3.8
176.04066	1.4
177.09164	2.5
179.10690	1.7
181.10135	2.2
183.06612	1.6
183.11681	6.6
185.09576	6.1
187.07512	1.7
187.11191	5.3
189.09145	5.4
189.12762	2.8
191.10646	2.4
193.08504	2.1
193.10207	2.3
193.12267	1.2
197.09647	1.6
199.07552	2.0
199.11201	4.4
201.09097	2.2
201.12732	8.4
203.10703	4.1
205.08629	1.1
207.10033	1.7
209.09668	2.3
209.13327	1.5
211.11177	2.2
213.12788	1.2
215.10722	1.9
217.08549	2.4
217.12199	3.3
219.10176	2.5
223.11333	1.3
224.12177	1.2
225.09227	1.2
225.12733	1.9
227.10670	3.8
229.08618	1.8
233.11627	1.8
235.11346	1.4
239.14314	1.4
245.11836	3.2
249.12787	1.5
251.14185	1.3
253.12320	1.5
265.12152	1.1
267.13809	1.3
273.11713	1.1
277.16144	1.2
287.05521	22.9
288.05838	23.0
289.06195	2.1
304.39145	1.1
311.12875	1.2
379.19043	2.2
407.18054	2.2
409.19653	1.3
417.20563	2.2
421.20190	1.7
425.19528	4.7
433.20117	1.6
435.21515	3.6
439.21326	1.2
443.18893	1.4
449.19632	1.6
451.20956	3.4
453.17957	3.4
453.22644	8.8
454.22620	1.3
461.19357	3.3
463.20972	4.2
465.18982	2.4
467.20419	3.3
469.22104	2.1
471.19525	5.9
479.20514	5.3
481.22278	23.7
482.22369	3.0
483.20172	20.2
484.20447	2.8
485.21494	2.6
489.19165	2.1
497.21576	6.7
499.23282	15.5
500.23798	2.5
501.21204	5.2
507.20157	7.1
515.22870	6.0
517.24286	3.3
525.21204	100.0
526.21582	12.1
543.22241	40.8
544.22272	2.4
561.23438	11.6
596.20795	13.3
597.19336	1.9
609.98022	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.05502	3.7
57.03438	4.1
59.05003	16.0
62.12613	1.9
69.03423	9.2
69.07085	2.0
70.50481	5.3
74.78998	2.2
79.05498	2.4
81.07059	11.0
83.04969	9.0
91.05485	7.7
93.07040	6.5
95.04935	3.6
95.08599	4.7
97.06513	4.0
100.44837	1.8
105.07017	8.3
107.08591	7.7
109.06516	9.5
111.08071	5.9
117.07045	4.8
119.04966	5.6
119.08582	6.2
121.06509	4.1
121.10110	2.9
123.08056	6.8
128.06236	5.2
129.07018	11.2
131.08546	5.7
131.96605	2.0
133.06465	7.4
133.10176	3.7
135.08060	5.9
137.05974	4.8
139.07466	3.5
141.06998	7.0
142.07777	6.5
143.08578	14.4
145.06459	5.6
145.10083	5.3
147.04462	4.7
147.08081	5.6
149.05969	2.2
149.09619	3.8
151.07610	3.0
155.08539	8.0
156.09300	3.8
157.06487	6.7
157.10115	16.0
159.08095	9.9
159.11685	5.4
161.05986	2.6
161.09610	13.3
163.07527	3.5
163.11201	5.3
165.07079	2.4
166.07790	3.8
167.08556	4.3
168.09286	3.6
169.06476	4.4
169.10126	9.1
171.08026	7.2
171.11684	8.9
173.06061	3.4
173.09605	9.7
173.13283	2.9
175.07532	4.7
175.11156	5.0
179.07005	2.4
181.10135	8.3
183.08081	4.3
183.11714	10.0
184.08755	3.5
185.06033	2.0
185.09619	26.7
187.07503	3.0
187.11186	9.5
189.09091	13.5
189.12779	3.2
193.10150	3.8
195.11647	3.0
197.09634	4.1
199.11159	21.7
201.09125	5.2
201.12811	4.6
203.10667	5.5
207.07915	3.0
207.11697	4.8
209.09651	7.1
211.11206	4.7
213.09108	6.3
213.12619	2.2
215.10695	3.1
217.12250	3.7
221.13229	3.4
225.09114	6.9
225.12787	2.5
227.10648	13.1
231.11861	2.7
232.12372	2.2
235.07576	2.4
237.09254	2.5
237.12672	2.8
243.10034	2.6
245.11792	3.0
247.11310	3.4
247.14856	2.2
249.12817	3.0
253.08485	3.1
259.14944	2.1
265.12213	2.2
265.15948	3.2
267.13766	2.4
275.14282	3.3
277.12247	4.3
277.15738	3.1
287.12820	3.2
289.15854	5.4
291.17310	2.3
293.15439	3.7
305.11725	2.1
305.15283	2.4
305.18872	2.2
307.13519	2.1
307.16870	3.9
317.15228	4.5
317.18808	2.7
319.13416	3.7
319.16885	4.3
333.13211	9.8
335.16299	4.4
349.17941	2.4
359.16336	2.3
361.18176	2.7
371.20016	3.2
377.17441	5.6
387.19601	4.5
389.21112	6.8
391.18912	8.3
399.19669	3.0
405.16827	3.6
407.22388	4.2
417.20541	9.6
433.20004	5.7
435.21896	11.8
437.19330	2.6
439.17218	11.3
443.18445	3.9
445.20523	2.4
449.15601	3.1
451.16681	10.2
453.22662	7.0
461.19775	14.3
463.21066	13.2
464.21878	2.1
467.17130	8.5
469.17798	2.3
479.20679	73.8
480.20975	10.2
481.15436	4.1
481.22205	68.9
482.22763	9.4
489.19049	7.6
497.21786	13.3
499.23492	11.7
507.20129	29.7
508.20175	3.4
515.22815	10.2
525.21173	100.0
526.21594	10.1
543.22223	33.1
561.23108	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
54.51052	0.4
61.68431	0.4
67.05506	0.5
69.07050	0.7
69.15053	3.8
78.12840	0.5
79.05487	1.0
81.07056	1.0
83.04956	0.7
85.02936	0.6
91.05500	0.6
93.07045	1.0
95.08594	0.7
98.22701	0.9
105.07028	0.7
117.85085	0.5
119.08538	0.5
135.11546	0.5
143.08534	0.5
145.10007	0.5
165.06926	0.6
167.07092	0.6
173.09642	0.5
192.09398	0.5
196.08813	0.5
197.05995	0.7
201.09169	1.2
202.09886	1.3
207.08064	0.5
207.11827	0.5
209.09497	1.2
210.06845	1.5
211.07556	1.4
213.08981	0.5
216.70523	0.5
219.08142	0.8
220.08792	1.0
221.09589	1.4
223.11050	0.6
224.08275	0.7
225.09116	0.9
226.06229	0.9
233.09605	1.2
235.07639	1.1
235.11192	3.3
237.09087	2.4
238.06238	0.9
238.09679	0.5
239.07072	1.1
239.10492	0.8
240.07825	1.2
243.06430	0.7
247.07561	1.5
248.08293	2.8
249.09102	4.1
250.09830	1.0
251.07011	1.0
251.10757	1.6
252.11386	2.0
253.08580	1.1
253.12230	0.7
254.09354	1.1
256.07339	1.6
257.08072	0.7
261.09113	1.1
262.09637	0.7
263.07803	0.6
263.10684	6.2
264.07996	0.5
264.11426	2.5
265.08618	7.0
265.12228	0.9
266.09314	1.5
266.13217	0.5
267.06638	0.8
267.09897	0.7
267.13779	1.8
269.11725	0.8
270.08917	0.7
271.09576	1.4
277.08621	7.3
277.11789	0.8
278.09222	1.3
279.06940	0.8
279.10202	2.3
280.07809	0.5
280.10898	8.6
281.11700	3.0
282.08878	1.0
283.09680	0.6
284.06909	0.9
285.07538	1.1
285.11108	0.6
287.09183	0.6
291.10052	1.6
292.10962	1.5
293.08032	2.6
293.11688	2.2
294.08923	1.3
294.12527	1.2
295.09836	1.0
295.13260	9.2
296.13983	1.5
297.11209	2.1
299.09189	1.9
307.09625	1.0
308.10501	2.5
309.11252	7.5
310.08234	0.8
310.11780	1.1
313.10635	0.9
317.10196	0.9
318.11072	0.9
323.12723	7.3
324.13535	7.5
325.10751	3.6
325.14413	1.5
327.15958	1.0
331.11749	0.7
340.13004	3.8
341.13608	1.1
355.15396	100.0
356.15884	11.5
372.15820	0.6
387.18008	13.4
388.18332	1.0
427.31726	0.5
477.96619	0.5
596.38135	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.5
55.01869	3.3
55.05499	13.3
57.03428	4.5
57.07066	9.4
59.04971	2.9
61.02929	5.7
65.03951	3.3
67.05495	18.5
69.03436	16.6
69.07058	16.0
69.09726	17.4
71.04982	7.0
77.51820	2.1
78.01323	2.2
79.05492	21.5
81.03425	5.7
81.06577	5.3
81.07058	87.8
82.07400	2.7
83.04945	5.2
83.08627	17.9
84.52149	2.2
85.02906	40.4
85.06536	13.9
91.05486	18.0
93.07050	40.3
95.04969	4.6
95.08610	54.4
97.02880	13.9
97.06528	10.4
97.10172	10.1
99.04453	38.3
99.05083	3.1
103.05441	3.8
105.07039	24.2
107.04937	2.9
107.08596	48.2
109.02869	5.4
109.06519	36.2
109.10165	46.0
109.21648	2.1
111.08093	6.4
113.09629	4.9
115.05433	2.8
117.05493	2.9
117.07024	7.7
119.08595	30.8
121.06499	6.0
121.10146	70.8
123.04410	2.3
123.08071	7.5
123.11703	61.0
124.12077	3.0
125.06001	5.0
125.09626	3.4
127.03905	7.4
127.07542	8.6
128.06241	6.9
129.07021	7.4
131.04942	2.8
131.08566	11.1
133.06531	2.7
133.10126	17.1
135.08046	5.4
135.11699	18.1
137.05975	55.5
137.09694	2.4
137.13310	5.8
138.06348	7.2
139.07550	9.3
139.11157	2.4
141.06967	6.1
142.07666	2.4
143.08563	17.4
145.04982	10.5
145.06480	3.8
145.10120	17.0
147.08046	7.0
147.11635	3.7
147.53931	2.5
149.05984	4.0
149.09641	7.1
149.13234	5.2
151.07523	5.2
151.11128	3.1
153.09111	6.1
154.07767	2.1
155.08540	8.8
155.10619	2.4
156.09300	4.3
157.10153	6.9
159.08057	9.1
159.11670	14.5
161.09624	8.5
161.13326	15.7
163.06091	3.7
163.11168	11.1
165.05554	3.5
166.07883	2.2
167.10637	11.7
169.10126	6.3
171.07988	3.4
171.11707	8.2
173.09641	6.7
173.13307	2.9
175.07582	4.3
175.14821	12.4
177.12851	2.9
177.16397	68.6
178.16685	3.7
179.14305	5.8
181.10138	5.3
181.12207	15.3
183.07991	2.3
183.11682	4.3
185.09599	8.3
187.07530	2.7
187.11177	9.7
189.09158	4.3
189.12637	2.5
191.17946	11.6
193.10104	6.0
195.08028	2.9
195.11685	3.2
197.09592	5.4
199.11140	6.2
201.09122	4.4
201.12720	9.1
201.16389	27.5
203.10574	3.1
206.10727	2.4
209.09717	3.5
209.13240	2.8
211.11124	2.6
215.10596	3.0
217.12277	2.8
219.17441	43.3
223.11099	3.2
225.12747	2.4
227.10696	4.3
227.14368	3.1
235.11238	3.2
237.12811	4.2
237.18495	100.0
238.18805	5.8
249.12756	3.6
255.19566	39.2
265.12186	4.7
267.13840	3.6
268.14349	3.5
269.15457	3.4
277.12344	3.6
381.22784	4.4
401.17090	3.2
415.18823	3.8
419.18005	2.7
421.19958	6.9
423.21762	5.0
431.18179	3.2
433.20105	10.2
435.21518	4.9
443.18585	3.4
445.19711	4.1
449.19751	5.1
451.21231	24.5
452.21472	2.9
461.19339	8.0
463.20639	4.0
467.20587	11.2
469.22122	17.4
471.18582	7.3
479.20450	14.4
481.21942	7.8
485.21448	6.8
487.23184	6.4
489.19485	6.0
495.19629	3.2
497.21472	16.7
499.22461	5.2
501.20862	3.7
507.20047	14.5
508.20184	4.0
513.20276	4.8
515.22675	41.2
516.22559	5.5
517.23499	16.7
519.21301	10.2
525.21033	24.7
526.21069	4.5
543.21844	57.2
544.22064	3.4
561.22913	68.5
562.23254	8.7
579.22815	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.1
55.05505	18.7
60.05284	3.6
65.03944	3.9
67.05518	19.1
69.03415	5.9
69.07066	17.3
69.26637	25.6
79.05484	14.5
81.07062	34.7
83.04958	16.9
83.08619	4.4
85.06542	9.4
91.05465	22.0
93.07031	29.5
95.04975	13.7
95.08610	38.1
97.06534	7.3
98.22807	12.1
98.23413	6.5
99.04453	3.8
105.07040	24.1
107.05003	4.0
107.08578	29.7
109.06522	6.4
109.10157	15.0
111.04426	9.2
111.08043	5.2
117.07027	10.1
119.08569	24.6
121.06472	7.2
121.10144	10.0
123.08075	12.9
123.11689	5.6
124.51070	3.1
128.06232	4.1
129.06978	9.7
130.08638	7.0
130.15883	8.4
131.08571	20.1
133.06458	4.5
133.10118	18.4
135.08080	5.3
135.11699	10.1
137.05977	6.8
139.07521	7.2
141.06956	5.3
142.07817	4.8
143.08549	16.5
145.10130	25.3
145.71133	3.7
147.08066	4.5
147.11667	12.8
150.28140	3.5
155.08578	16.1
156.09319	3.4
157.10114	25.0
159.08040	4.2
159.11737	16.1
161.09613	4.9
161.13269	6.1
163.11220	5.9
165.06961	6.1
167.07085	4.3
167.08560	13.6
169.10152	19.7
171.11685	14.0
173.09564	4.8
173.13229	4.5
175.11154	5.6
178.07794	3.5
179.08546	4.5
180.09264	8.5
181.10117	16.9
182.10770	5.3
183.11696	15.9
185.13271	5.9
186.51382	4.1
187.11212	5.3
187.14735	5.6
189.12845	6.1
191.08568	3.4
192.09398	5.4
193.10118	16.7
194.10881	5.3
195.11667	19.0
197.09525	3.7
197.13254	17.3
199.11247	4.7
205.10022	5.3
206.10913	6.9
207.11665	14.9
208.12247	6.3
209.11705	3.1
209.13329	23.7
211.14830	6.0
215.14293	4.9
219.11603	10.7
221.09712	4.3
221.13327	20.3
223.11214	4.1
223.14899	22.6
225.12776	4.4
233.13208	9.4
235.14793	10.1
237.16426	5.6
243.11676	4.4
245.13295	7.0
247.14842	6.1
249.12573	4.3
249.16412	8.4
251.14371	4.5
251.17970	4.3
259.14624	4.4
261.16476	6.2
263.14264	5.9
263.17892	14.1
265.15958	3.8
267.13840	5.6
269.15341	11.8
273.16299	4.0
275.17987	6.3
279.20886	3.7
283.17099	4.4
295.17075	4.4
297.18591	5.0
305.18976	12.0
305.22275	4.8
323.20029	11.3
331.20517	6.3
337.21530	3.4
351.22720	4.2
355.15399	10.9
356.16129	4.3
357.25558	4.3
363.23242	7.8
365.46933	4.5
403.26352	72.8
404.26578	4.1
417.28265	4.7
419.29404	6.9
427.26343	9.7
445.27313	38.9
446.27432	5.4
463.28464	100.0
464.28693	12.6
481.29520	10.9
503.27332	3.6
543.34656	9.9
561.36108	21.3
579.38123	7.3
596.37616	17.6
596.59033	5.7
597.38861	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28308	1.2
55.05504	4.0
63.47961	1.4
63.55497	1.3
67.05504	7.0
69.06059	1.6
69.06409	12.4
69.07071	4.4
79.05502	5.0
81.07070	8.7
91.05454	6.5
93.07021	6.4
95.08597	12.3
97.10233	1.5
105.07027	22.0
106.39655	1.2
107.08593	8.7
109.10168	15.5
117.07054	1.9
119.08578	20.8
121.10148	6.0
123.11720	5.9
131.08583	2.5
133.10126	14.0
135.11656	1.6
145.10132	2.3
147.11679	16.3
149.13301	3.0
155.55798	1.3
159.11757	1.5
160.12392	1.7
161.13277	14.1
162.13979	1.3
163.07555	1.2
166.06273	1.7
167.07031	4.4
173.28291	1.3
175.14937	1.9
181.08607	13.6
189.16425	3.4
202.54449	1.4
203.17950	100.0
204.18573	11.2
221.11777	2.2
234.47145	1.4
235.13255	2.2
243.89993	1.3
249.14844	2.0
251.16479	3.1
299.14908	1.4
579.36670	2.8
596.59735	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51391	1.6
53.03924	1.6
55.05500	4.9
57.03407	2.0
63.31106	1.6
67.05507	11.5
69.02261	10.3
69.02679	5.5
69.07065	7.8
78.04693	3.5
79.05501	9.5
81.03416	6.0
81.07046	13.4
83.08624	3.1
89.03915	7.0
91.05492	9.9
93.07043	7.9
95.04951	3.0
95.08607	17.7
97.10123	1.9
105.07028	18.1
105.51424	1.6
107.04978	1.7
107.08606	11.0
109.10162	12.2
117.03394	18.9
117.06985	4.3
119.08584	15.1
121.10137	10.6
123.04440	4.9
123.08014	3.0
123.11721	5.1
124.05178	2.4
128.12180	1.9
129.06987	2.8
131.08540	5.6
133.06514	2.3
133.10135	10.4
135.04393	2.3
135.11691	4.6
137.06044	1.8
138.13448	1.6
143.08534	6.0
145.02838	52.1
145.10117	7.4
147.11673	14.3
149.05989	5.9
149.13303	1.7
151.03758	1.8
152.04617	2.0
153.05466	33.0
159.11670	6.3
161.09625	3.8
161.13248	8.2
167.07039	87.8
168.07405	2.6
173.13269	2.4
175.07529	4.4
175.11172	7.5
175.14821	2.7
177.05469	100.0
178.05911	4.9
181.08603	2.3
185.94604	1.7
186.05458	3.2
188.08377	3.0
189.09123	6.2
189.16312	2.6
193.08704	2.6
195.10013	1.7
201.16367	11.9
203.10689	7.3
203.17958	61.7
204.18497	5.7
205.12300	4.5
207.10150	6.6
218.19032	2.1
218.80225	1.8
219.17455	4.9
221.11726	40.1
235.13284	76.9
236.13567	4.3
237.14867	2.5
267.15958	5.8
311.29611	1.6
318.77560	1.8
337.27390	5.3
343.15274	3.0
375.17990	9.2
507.36505	13.6
561.37457	4.0
596.28235	3.3
596.47003	1.8
596.59540	6.5
597.37756	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93586	0.9
55.05497	2.3
57.07073	1.2
58.67241	0.9
65.56676	1.1
67.05527	4.9
69.07080	5.9
78.04721	2.8
79.05491	4.4
81.07053	7.1
83.08621	1.8
91.05473	6.4
93.07037	4.8
95.08610	10.4
102.74193	0.9
103.05457	0.9
105.07040	13.4
106.04169	1.0
107.04949	1.3
107.08602	6.8
109.10165	9.1
110.03680	1.2
117.07077	1.2
119.08590	12.9
121.06530	1.4
121.10133	4.9
123.04453	5.8
123.11710	3.4
124.05186	2.0
124.80740	0.8
128.06200	1.8
129.07013	2.2
131.08601	1.8
133.06505	2.1
133.10133	9.9
135.11708	1.6
138.03149	2.6
139.07523	1.1
143.08591	5.7
145.02928	1.3
145.10092	2.9
147.07993	1.2
147.11697	13.4
149.13271	1.5
151.03897	1.2
152.04637	2.7
153.05469	37.4
154.05841	1.2
157.06505	1.6
159.11629	1.2
160.08896	1.6
161.05991	1.3
161.09669	5.4
161.13271	8.2
167.07043	100.0
168.07401	3.0
171.08067	1.9
173.13371	1.0
174.06781	2.3
175.07549	3.8
175.11205	8.0
175.14812	1.6
177.05481	4.3
177.16383	1.1
179.07172	1.1
181.08604	1.2
188.08319	3.0
189.09145	8.3
189.16377	1.4
191.07021	1.3
193.08618	2.4
195.10190	1.2
203.10706	10.4
203.17964	61.4
204.18535	3.6
205.12222	1.3
205.19653	1.2
207.10164	8.0
220.10895	1.6
221.09526	1.7
221.11737	46.1
235.13295	93.1
236.13693	5.2
237.14835	1.8
274.03015	0.9
299.16162	1.3
300.35956	0.9
343.15479	3.4
351.09708	1.2
375.18024	8.4
376.18127	1.1
529.32739	1.2
547.33636	2.6
561.35767	2.8
579.36731	5.2
596.28094	2.7
596.38477	3.1
596.59985	2.3
597.37878	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1447
Annotation	Peltatoside
Peak:m/z	Relative Intensity
53.83262	0.6
57.03433	3.6
59.40833	0.6
60.13619	0.8
61.02912	2.2
65.11559	0.6
65.73455	0.7
69.03003	1.2
69.03383	10.4
69.03714	1.0
73.02922	5.7
85.02902	4.7
97.02908	3.8
98.22510	1.5
102.02168	0.6
106.33948	0.7
109.02853	0.8
111.00847	1.0
115.03920	2.6
127.03920	1.0
127.99390	0.6
137.02342	2.8
145.04988	1.0
153.01811	3.9
165.01797	1.9
173.06007	0.8
183.02908	1.2
201.05467	1.5
229.05008	4.2
257.04474	3.1
285.03903	0.8
303.04980	100.0
304.05396	4.2
315.05017	1.5
345.06100	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30896	0.1
53.03946	0.3
57.03436	0.3
61.02927	0.2
65.03626	0.2
65.03925	0.8
69.03431	2.7
71.05033	0.1
71.29836	0.2
73.02920	0.4
81.02927	0.1
81.03417	2.8
85.02907	1.5
89.14471	0.1
91.05478	7.3
92.05819	0.1
97.02364	0.1
97.02887	0.8
99.04457	0.3
107.04948	0.3
109.02871	1.5
115.03887	0.2
119.04941	18.6
120.05283	0.4
123.04441	0.2
127.03915	24.4
128.04237	0.4
137.02356	0.3
145.04904	0.2
147.04407	100.0
148.04738	3.0
153.01830	0.5
163.03946	0.2
165.01819	0.4
165.05492	1.4
183.02951	0.2
191.03410	0.2
195.02888	0.8
201.05429	0.2
219.02820	0.4
229.05066	0.2
231.02861	0.3
231.06511	0.2
245.03230	0.1
257.04419	0.2
285.07483	0.3
291.08609	5.7
292.08942	0.3
303.04962	4.9
304.05316	0.2
309.09677	5.2
310.09940	0.3
315.05093	0.2
315.08426	0.2
339.08981	0.2
345.05972	0.2
417.11984	0.2
453.14111	0.2
471.14911	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1815
Annotation	CHEMBL2332107
Peak:m/z	Relative Intensity
53.03939	0.6
54.55665	0.4
55.01866	0.9
55.05502	1.3
59.04996	2.4
62.25529	0.4
65.03938	1.3
65.65698	0.4
69.03438	2.7
69.64287	1.9
70.06603	0.5
71.04987	0.8
79.05515	0.5
81.03406	1.4
83.04989	6.2
85.02907	1.7
87.04474	5.5
91.05482	9.4
92.18652	0.4
95.04961	1.1
97.02900	4.2
105.07043	1.0
107.04972	3.6
109.02888	2.1
111.04449	3.9
115.03931	18.9
119.04945	21.6
121.02863	1.9
123.04410	0.9
127.03927	3.3
129.76875	0.5
131.04912	2.0
133.06500	8.0
135.04404	0.9
139.03909	2.5
144.08075	1.2
145.04922	0.7
145.06470	1.0
147.04411	100.0
148.04716	3.0
149.02304	0.6
149.05923	1.0
153.06993	0.5
157.04955	1.2
157.06578	0.7
159.04404	6.1
161.06003	1.9
165.05489	2.2
165.07013	1.7
167.08621	0.5
169.06430	0.5
171.08058	0.6
173.06056	0.4
177.05470	1.3
183.08095	2.2
189.05489	3.2
191.03485	0.5
195.02882	1.0
195.07994	0.8
197.05981	1.1
201.05446	1.5
203.07011	0.5
207.06425	0.5
211.07518	2.5
213.08974	0.5
215.06973	0.6
219.03014	0.5
219.06552	1.3
221.06062	0.5
223.07524	0.7
225.05522	0.7
229.08675	0.7
239.06985	1.8
249.05547	1.1
257.08112	1.5
267.06506	4.3
273.07605	0.5
275.09143	0.7
285.07538	2.3
289.06604	0.5
291.08530	0.6
301.06964	0.7
303.04938	2.0
303.08514	9.5
321.09686	5.2
339.08374	0.5
340.20615	0.4
429.11801	1.0
447.12881	1.2
465.14215	1.2
492.11374	0.4
533.77161	0.4
589.67346	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1811
Annotation	Naringenin 5,7-di-O-glucoside
Peak:m/z	Relative Intensity
50.38877	4.1
55.01877	7.1
55.26075	4.6
67.05486	5.5
69.68183	20.8
79.05492	6.2
85.02905	16.4
93.03411	10.8
94.95453	4.6
95.04951	6.6
97.02901	9.4
97.47741	5.2
107.04964	21.3
109.02878	19.4
111.04420	6.3
119.04973	8.2
121.02884	25.2
121.06552	7.4
123.04455	7.0
128.79871	4.7
131.04895	7.5
135.04410	19.7
137.05949	8.2
139.03903	10.3
143.55200	4.8
145.06509	5.1
147.04372	24.1
159.04424	11.6
161.06032	7.3
163.03951	8.6
165.01819	7.7
173.05984	15.7
177.01820	18.3
177.05434	8.2
180.42729	5.1
185.06126	5.9
187.03844	6.3
189.01921	24.1
191.03395	19.0
195.02950	28.7
201.01740	5.5
201.05461	10.5
203.03381	14.2
205.01283	7.4
205.05075	6.4
207.02890	46.6
215.03342	13.0
217.04886	6.4
219.02873	100.0
223.02391	8.7
225.03917	10.0
227.03448	7.4
229.04974	17.9
231.02888	46.1
233.04385	20.1
237.03929	17.4
241.04906	7.6
243.02904	30.5
249.03964	8.8
255.02927	9.9
257.04456	18.4
261.03952	91.6
269.04520	7.8
271.05869	10.1
273.03922	42.1
285.03946	44.1
291.05042	19.1
297.03888	16.6
297.07455	11.0
299.05505	8.5
303.04959	30.1
304.50085	6.4
309.07550	12.1
315.04861	9.0
321.05960	24.3
327.04971	39.5
327.08734	21.0
339.08124	26.0
345.05908	11.7
351.08585	19.8
357.09854	6.3
363.07138	29.7
369.05899	6.2
375.07190	10.6
381.09705	23.8
387.07413	8.8
393.09482	29.8
405.08582	35.1
406.09027	6.5
411.10663	9.9
417.09705	10.8
423.10016	21.9
429.12036	26.5
441.10822	28.7
447.10602	17.5
459.12524	24.8
465.11813	10.2
483.12729	11.5
495.12619	14.4
507.12793	8.0
525.14374	9.6
543.15082	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2307
Annotation	Kadsuphilol C
Peak:m/z	Relative Intensity
53.55914	0.3
53.77979	0.4
56.91936	0.4
57.03429	0.5
65.87579	0.4
69.03429	1.0
71.04990	1.2
71.30403	0.7
71.31342	0.4
73.02913	2.7
81.15375	0.4
83.13380	0.4
85.02911	2.9
95.08577	0.4
97.02885	1.4
99.04460	0.5
105.06973	0.4
107.04979	1.1
115.03923	0.5
119.08626	0.5
121.02864	0.4
127.03926	2.1
129.05441	0.5
129.41866	0.4
135.30652	0.4
145.04990	0.4
147.04420	0.9
153.01872	1.0
170.47052	0.4
175.03665	11.3
188.04443	0.6
202.06046	0.8
204.07625	1.8
215.07043	0.5
217.08403	0.8
219.06383	1.5
229.05078	0.6
243.06595	0.5
245.04951	0.4
289.07123	1.1
290.07553	0.4
296.04315	0.5
303.04977	11.9
315.05258	0.6
341.36380	0.4
385.12570	5.0
399.14267	5.4
401.15756	0.9
401.26196	0.5
409.80884	0.4
447.09256	0.6
517.97607	0.5
597.23016	100.0
598.23297	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10507	2.5
51.60981	3.3
55.05513	75.9
69.09111	4.5
69.09516	18.0
81.07059	5.6
83.04981	100.0
99.04452	19.8
119.04945	3.7
121.48691	2.5
127.03928	7.5
132.05739	7.6
147.08047	3.6
165.51265	2.5
205.06607	3.1
207.08273	2.8
207.10146	15.6
222.06732	3.9
226.06351	3.7
233.05853	2.7
234.06572	2.7
235.07410	3.0
236.08379	3.0
237.05476	3.8
237.09113	5.1
239.03313	3.4
239.06972	3.6
249.05588	4.0
250.06206	6.5
251.03320	7.2
251.07077	3.9
252.04065	4.2
253.05009	3.3
253.08440	4.9
254.05699	3.3
255.06454	3.1
263.06995	5.6
265.04898	9.1
265.08636	9.2
266.05710	9.7
267.02969	3.2
267.06644	3.1
269.04410	3.8
278.05740	3.8
279.06503	8.9
279.10379	2.5
280.07343	4.8
281.08029	7.1
282.05429	2.9
283.06158	3.6
290.06104	4.4
291.06503	6.2
292.07382	7.7
293.04599	5.2
293.08173	8.0
294.05215	7.3
294.08728	4.6
295.06088	6.1
295.09372	5.7
297.04449	4.9
297.07578	19.9
297.10507	4.2
305.08109	4.7
307.06039	7.2
307.09555	5.7
308.06750	8.4
309.07529	8.2
311.05548	7.1
311.09186	5.0
313.07089	10.1
315.08612	5.4
320.07214	3.1
321.07416	4.4
322.08475	8.4
323.09122	50.2
324.09836	9.9
325.07019	8.2
325.10678	6.0
326.07690	12.4
327.08530	3.5
328.09436	6.6
335.09247	12.7
337.06992	5.2
337.10706	9.4
337.27289	3.7
338.11288	3.6
339.08566	6.7
339.12186	5.4
340.09427	5.9
352.09372	3.1
353.10168	17.9
354.10730	3.0
355.11743	31.2
357.09729	7.4
364.09308	7.6
365.10129	8.5
366.10913	7.0
367.11746	28.5
369.13464	11.3
379.11920	12.5
385.12689	4.6
397.12930	35.7
398.13342	4.4
410.13574	8.2
471.90253	2.8
492.34125	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00452	5.0
55.05514	79.8
60.53454	5.0
62.19470	4.7
69.24862	42.3
83.04986	100.0
83.05458	7.6
99.04462	33.9
119.04994	6.8
127.03947	12.6
132.05710	12.8
132.90674	6.2
147.08086	8.7
207.10126	37.6
239.03346	8.2
249.05547	8.1
250.06230	6.5
251.03455	6.8
265.05078	7.7
265.08551	7.4
266.05841	9.0
270.04886	6.5
280.07117	8.5
281.08096	6.1
291.06656	6.6
292.06979	7.3
293.04672	6.6
293.08047	6.8
294.05386	8.9
294.08698	8.6
295.09479	7.3
297.07556	61.7
305.08133	11.2
307.05994	9.9
307.09521	6.8
308.06790	8.4
311.05505	10.4
311.08994	7.0
313.07007	14.5
320.73547	6.0
322.08530	9.9
323.09137	57.9
324.09915	11.8
325.07089	13.1
326.07697	17.9
328.09485	10.8
337.10654	11.5
339.08405	5.9
340.09268	10.2
341.10132	8.5
348.09933	8.5
353.10300	21.3
354.11218	7.3
355.11758	46.8
357.09869	9.7
366.10812	12.1
367.11813	14.7
367.34381	6.2
369.13339	13.8
379.11755	17.7
397.12875	24.6
410.13654	7.0
522.91125	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16991	1.0
53.03943	3.2
55.01866	1.2
55.05512	67.1
58.70260	0.9
59.05016	1.2
66.09667	0.9
67.05505	4.4
69.01590	1.1
71.27593	1.1
71.30257	2.0
75.04470	1.4
79.05482	3.9
81.03436	1.1
81.07056	4.2
83.04983	87.9
84.05312	1.9
87.20374	1.1
91.05479	6.6
93.07038	2.7
95.05013	1.3
95.08608	2.7
101.06082	1.2
105.03403	2.7
105.07018	2.3
107.04952	2.7
107.08580	2.6
109.06452	1.4
109.10169	2.7
115.05470	1.0
117.07043	3.8
119.04964	1.4
119.08578	2.7
121.06525	2.0
121.10176	1.8
129.07005	3.4
131.04924	1.8
131.08589	2.6
133.06535	1.5
133.10091	1.7
135.04446	1.4
135.08136	1.7
139.07501	1.4
145.06493	2.5
145.10129	1.8
147.04395	1.9
147.08032	1.2
149.09673	3.0
151.03902	1.3
151.07520	2.0
152.04736	1.1
157.06502	3.9
159.04453	3.1
159.08066	3.6
162.03073	2.2
163.07541	1.0
164.15750	1.0
165.05518	1.6
165.06926	1.2
167.07072	5.7
175.03932	1.9
175.07518	1.7
176.04767	1.3
177.09158	1.7
178.07848	1.2
179.07056	1.8
183.11781	1.2
185.05980	2.0
187.07599	3.5
189.05470	1.3
189.07005	2.2
190.07727	2.1
191.03384	60.7
191.07033	11.8
191.08577	3.2
192.03749	2.5
193.06232	1.1
193.10210	1.6
194.07248	1.2
203.08536	1.5
204.07829	1.4
205.04971	2.7
205.06760	1.8
205.08665	3.2
206.07309	2.3
206.09383	3.9
207.08208	1.6
207.10129	1.2
208.08763	1.4
209.09715	3.0
209.11719	61.8
210.12073	2.4
213.05470	4.1
215.07019	3.0
218.07205	3.0
219.08067	7.3
219.10098	2.3
221.06001	3.4
221.09717	1.2
222.06789	1.3
225.05458	1.5
227.07098	2.9
232.08792	1.1
233.05869	1.5
234.06693	2.5
235.07515	3.8
236.08293	4.4
237.09105	3.3
239.03328	1.3
243.06474	13.5
245.06039	1.4
246.06796	3.4
247.07542	5.9
248.08302	3.7
249.05518	3.2
249.09094	4.6
250.06239	1.5
251.07094	2.4
251.10678	2.7
253.08656	1.4
255.06656	1.8
259.07458	1.7
261.09122	4.2
262.06342	1.6
262.09875	1.1
263.07016	3.9
264.07919	8.4
265.08597	4.6
266.09244	1.3
267.98019	1.3
274.06070	2.0
275.07172	6.0
275.09665	1.0
276.07877	3.4
277.05051	2.5
277.08566	7.0
278.05777	2.2
278.09042	1.7
279.06519	3.3
279.10178	9.9
280.03696	2.6
280.07043	1.5
281.08365	1.4
282.05093	1.8
287.07022	2.4
289.05191	2.0
289.08591	6.1
290.05750	1.8
290.09085	1.7
291.06561	4.7
291.09854	2.0
291.15991	2.8
292.07291	6.4
293.04926	1.2
293.07965	7.0
295.05960	1.5
295.09305	1.4
297.07578	1.7
303.06418	4.7
304.07272	7.1
305.04739	2.3
305.08130	7.4
306.05264	1.5
306.08820	2.8
307.06052	4.0
307.09659	13.9
308.03381	2.1
308.06699	2.9
308.10074	2.7
309.03790	2.1
309.07507	1.7
309.11041	2.4
313.06943	6.3
315.06824	1.4
316.07162	2.5
317.04404	5.0
317.08127	7.8
318.04941	2.9
318.08853	4.0
319.06091	2.4
319.09668	4.4
320.06760	2.4
321.07755	5.4
321.11139	1.7
322.08276	7.3
323.05563	2.3
323.09131	6.4
325.07129	5.7
325.10547	2.0
326.04236	1.7
331.05975	2.0
332.06717	12.3
333.04105	1.4
333.07407	8.3
334.08356	1.2
335.05420	1.8
335.09082	15.4
336.09891	8.1
337.06857	1.6
337.10574	10.1
338.07809	4.0
339.08713	5.8
340.09354	2.0
341.06644	12.2
347.09125	20.9
348.09598	6.5
349.07053	5.5
349.10669	2.8
350.07852	1.9
353.10205	18.6
354.10748	2.0
355.11716	3.0
364.09470	6.1
365.10187	67.0
366.10577	6.2
367.07809	1.9
367.12018	1.7
369.13312	5.0
379.11737	27.5
380.11963	2.8
382.10355	2.0
397.12802	100.0
398.13254	6.9
415.13867	16.9
597.39294	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
53.54462	0.5
55.05511	70.2
55.94135	0.5
56.05847	1.1
57.03440	3.9
58.06602	0.7
59.05002	1.8
67.05506	2.2
69.07066	21.7
69.20059	4.1
73.06576	0.6
74.06079	2.1
74.09719	47.8
75.10047	5.8
76.07642	1.0
78.20435	0.4
79.05493	2.5
80.39358	0.5
81.07056	2.4
83.04980	100.0
83.08634	0.5
84.05321	1.6
85.02924	1.2
91.05497	1.0
93.07040	1.7
95.04974	0.8
95.08593	1.7
96.67998	0.5
97.05904	1.2
97.06529	21.6
98.98460	1.1
102.22124	0.5
105.03395	2.6
105.07034	2.0
107.08573	1.0
109.06506	0.7
109.10153	0.8
115.07563	4.2
119.08521	0.6
123.08074	0.6
125.09651	0.6
129.06915	0.5
133.06508	0.6
133.10127	0.8
143.08542	0.6
151.03854	0.6
153.05418	0.6
153.07094	0.5
157.08589	1.5
161.05988	0.7
165.07016	0.7
165.09114	0.9
167.08566	0.7
175.03891	0.7
176.27737	0.5
181.04979	1.4
181.06459	0.5
183.10159	16.0
193.08548	1.5
195.08005	1.5
197.06020	1.2
198.06734	0.6
205.06459	1.8
209.05977	1.0
210.06602	0.7
213.05428	3.7
219.07837	0.6
221.05937	1.2
222.06711	1.3
223.03886	0.7
223.07500	1.5
224.08156	0.8
225.05519	2.8
226.06242	12.0
227.07060	6.2
233.05898	1.0
235.07257	0.5
237.05408	0.9
237.09076	2.6
238.06253	0.9
239.03191	0.5
239.06946	2.7
239.10632	0.6
240.04373	0.6
240.07729	1.0
241.04977	2.6
241.08362	0.7
242.05559	0.6
243.06616	0.9
247.07471	0.9
249.05389	1.3
250.06258	2.1
251.03537	1.1
251.06984	3.7
252.04120	1.1
252.07646	1.6
253.04858	1.9
253.08539	2.1
255.06497	1.0
255.10222	0.6
261.09006	0.6
262.06345	0.9
263.06973	3.0
264.07776	1.3
265.05093	2.4
265.08621	5.3
266.05731	1.2
266.08926	0.5
267.02859	1.2
267.06390	1.3
268.03577	1.1
268.07330	0.8
269.04297	2.5
269.07974	0.7
270.05438	0.7
275.06747	1.0
277.05103	0.7
277.08356	1.3
277.10968	0.9
278.05777	0.6
278.08917	0.6
279.03494	0.8
279.06421	4.4
279.09583	0.7
280.04105	0.6
280.07224	3.3
281.07950	3.9
282.08661	0.7
283.02725	0.5
283.05939	2.3
283.09418	1.1
284.03009	1.5
284.06418	0.7
285.03802	0.6
291.06381	1.8
291.09366	0.6
292.07208	0.9
293.04407	1.6
293.08011	4.6
294.05313	2.9
294.08304	0.9
295.05954	1.9
295.09561	6.5
296.03207	0.8
296.06909	0.9
296.09995	0.7
297.03815	1.5
297.07428	1.5
297.10577	0.6
299.05359	4.2
299.08859	1.2
305.08075	1.6
307.05899	2.0
307.09366	1.2
308.06650	2.1
308.09799	0.6
309.07419	3.0
309.10825	1.2
310.08325	1.0
311.05377	8.2
311.09048	3.8
312.02765	0.9
312.06256	16.8
312.09622	0.7
313.06894	1.2
313.10602	2.2
319.09482	0.9
319.12970	0.6
321.07516	1.2
321.11060	0.9
322.08200	1.4
323.09149	20.1
324.06415	0.9
324.09592	2.2
325.07010	1.0
325.10611	1.9
333.07803	0.8
335.08936	2.1
337.10580	1.4
337.26263	1.0
339.08649	6.8
340.09235	2.3
341.10153	5.8
347.08792	0.6
347.12704	0.8
348.09488	0.6
349.10571	0.7
349.14258	1.4
353.10129	1.9
355.11630	1.6
363.12177	0.8
365.10181	8.5
366.10748	0.7
367.11520	1.4
377.13831	7.0
378.14291	1.6
380.12454	1.2
381.09473	1.6
382.10339	0.7
383.11322	3.1
391.15323	1.2
393.09467	1.3
395.14798	1.7
396.15744	0.6
397.12717	1.7
409.16437	21.8
410.16632	1.0
419.14703	1.0
423.13956	0.9
425.16074	0.7
437.16098	3.4
451.17651	0.8
477.19342	2.6
479.16583	1.1
506.21844	0.7
509.21426	1.2
537.21240	3.8
538.21429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
55.05513	75.6
57.03450	4.1
59.89287	2.9
66.38519	3.3
67.05501	27.7
69.07069	5.4
69.45982	21.8
73.02959	4.0
74.36862	2.9
79.05489	21.6
80.05815	6.4
81.07050	31.6
82.07384	6.8
83.04984	100.0
91.05473	11.8
93.07040	20.0
94.07365	3.8
95.08593	20.6
96.08987	4.9
98.98494	3.3
99.04458	38.5
105.07028	6.3
107.08598	9.2
109.10170	10.1
117.06998	5.0
119.04945	5.8
119.08583	5.2
120.08874	3.6
121.10098	7.2
122.10477	5.1
123.11747	6.2
123.52267	4.1
127.03915	15.7
129.18489	3.2
131.08592	4.9
132.05714	10.6
133.10107	6.1
135.11717	5.5
136.12030	5.7
145.10152	3.7
147.08049	5.7
147.11736	4.8
149.13300	5.8
153.64345	3.1
160.12131	4.1
161.13385	4.9
163.14778	4.3
173.13208	5.4
179.10757	3.8
188.15193	3.4
189.91557	3.5
207.10124	32.0
237.09169	4.5
238.06119	3.5
239.03380	7.9
243.21155	5.5
244.21291	8.3
249.05553	4.5
251.03378	13.0
251.07149	3.9
253.04865	5.2
261.22168	19.9
262.22507	17.3
263.06940	3.9
264.07678	4.9
265.04941	7.0
265.08585	7.4
266.05688	12.1
267.02850	3.7
267.06647	7.2
267.67050	3.4
279.06448	10.8
279.09744	3.7
280.07303	6.7
281.04559	4.1
281.08008	4.9
282.05264	6.5
283.05960	4.0
291.06354	7.3
293.04556	5.0
293.08060	5.3
294.05139	12.6
294.08551	5.6
295.06070	6.5
295.09595	9.1
297.07578	48.3
305.08057	4.6
307.05881	9.7
307.09485	6.3
308.06815	15.6
309.07660	8.4
309.11072	4.2
310.08255	4.0
311.05496	5.4
313.07062	9.3
321.07581	5.2
322.08417	7.5
323.09128	54.1
324.09671	6.5
325.07336	6.4
325.10684	6.6
326.07751	17.3
327.08453	5.0
327.12216	4.2
328.09521	4.2
333.07669	6.2
335.25641	4.7
336.26007	7.8
337.10602	14.2
337.27234	6.8
338.11343	4.4
339.08591	6.4
340.09332	11.4
353.10211	16.2
354.10593	5.8
354.27200	9.9
355.11826	32.9
357.09848	5.7
364.09515	5.5
365.10172	5.7
366.10864	5.2
367.11816	10.5
369.13284	9.8
379.11594	17.4
397.12915	25.6
410.13464	6.9
458.82175	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2307
Annotation	Kadsuphilol C
Peak:m/z	Relative Intensity
53.55914	0.3
53.77979	0.4
56.91936	0.4
57.03429	0.5
65.87579	0.4
69.03429	1.0
71.04990	1.2
71.30403	0.7
71.31342	0.4
73.02913	2.7
81.15375	0.4
83.13380	0.4
85.02911	2.9
95.08577	0.4
97.02885	1.4
99.04460	0.5
105.06973	0.4
107.04979	1.1
115.03923	0.5
119.08626	0.5
121.02864	0.4
127.03926	2.1
129.05441	0.5
129.41866	0.4
135.30652	0.4
145.04990	0.4
147.04420	0.9
153.01872	1.0
170.47052	0.4
175.03665	11.3
188.04443	0.6
202.06046	0.8
204.07625	1.8
215.07043	0.5
217.08403	0.8
219.06383	1.5
229.05078	0.6
243.06595	0.5
245.04951	0.4
289.07123	1.1
290.07553	0.4
296.04315	0.5
303.04977	11.9
315.05258	0.6
341.36380	0.4
385.12570	5.0
399.14267	5.4
401.15756	0.9
401.26196	0.5
409.80884	0.4
447.09256	0.6
517.97607	0.5
597.23016	100.0
598.23297	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2678
Annotation	3,7,12-Triacetyl-8-benzoylingol
Peak:m/z	Relative Intensity
52.50052	1.3
53.15447	1.5
55.05262	2.5
55.05509	23.2
59.32613	1.6
63.50003	1.7
67.05508	1.9
75.68388	1.5
76.82987	1.4
79.05504	3.2
81.07066	8.5
83.04981	29.8
90.61361	1.5
91.05488	4.4
92.19218	1.5
93.07037	2.4
95.04977	2.3
95.08595	3.5
97.02895	1.9
104.46873	1.4
107.08621	1.8
109.06528	4.8
109.38081	1.6
119.08583	2.1
123.08091	3.1
131.08511	1.5
131.73058	1.5
137.05981	9.5
143.04950	2.1
155.08606	3.6
171.08031	2.4
173.09741	2.1
179.08556	1.6
181.10097	2.3
183.08159	1.6
184.08795	2.2
192.09346	2.7
193.10284	2.2
193.71002	1.6
197.09608	3.5
205.10071	3.0
207.11728	3.3
208.08812	1.9
209.09708	4.1
217.10168	3.2
221.09605	2.8
223.11166	3.0
235.11212	5.6
237.09148	2.5
237.12787	2.7
247.11287	1.6
251.10802	2.4
251.14366	2.0
251.99785	1.5
253.12265	2.2
261.12866	3.3
263.10715	5.7
275.14453	4.7
277.12463	1.5
279.13840	1.5
281.11774	4.4
293.15524	4.7
303.13846	6.0
305.11536	1.7
321.14850	3.8
335.16467	3.0
339.16238	3.0
391.19232	3.8
401.17542	6.3
409.19711	2.4
419.18549	41.4
420.19067	5.0
435.22031	2.8
437.19601	26.1
438.19537	2.0
455.20636	4.3
461.19635	5.4
475.24966	2.9
479.20685	7.4
493.25406	4.0
519.23505	6.7
537.24591	100.0
538.25031	11.6
597.26721	67.6
598.27264	7.5
615.44336	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.01859	1.9
55.05510	90.9
56.05859	1.2
65.03932	1.6
67.05502	6.4
69.03429	7.0
69.07076	0.8
69.36483	3.3
69.36875	1.4
70.82931	0.7
71.05000	1.1
71.31638	0.6
79.05487	10.1
81.03421	1.4
81.07051	42.1
82.07391	0.9
83.04978	100.0
83.08629	0.7
84.05316	2.1
91.05463	8.2
91.71541	0.8
93.07038	5.2
95.04968	7.8
95.08600	9.4
97.02872	5.0
97.06532	2.9
99.04440	2.3
103.05418	1.1
105.07020	6.2
107.04968	2.0
107.08582	3.8
109.02883	1.0
109.06516	24.7
109.10136	2.8
111.04465	1.1
111.08069	1.7
115.05445	1.7
117.07021	3.5
119.05018	0.7
119.08557	4.8
121.06496	2.4
121.10139	1.5
123.04409	1.2
123.08070	7.6
125.05987	1.4
125.09624	1.0
127.03924	1.1
128.06198	3.0
129.07010	6.8
131.04922	2.2
131.08575	5.0
133.06476	3.5
133.10107	2.0
135.04376	1.0
135.08064	3.4
137.05968	43.6
138.06357	1.1
139.07550	0.8
141.06970	4.8
142.07765	1.6
143.08546	5.2
144.05711	1.2
145.06470	4.9
145.10170	4.1
147.08058	6.1
149.02344	1.1
149.05972	1.9
149.09628	1.7
151.07578	3.5
152.06117	1.1
153.06956	2.5
154.07751	1.3
155.08527	8.2
157.06493	4.0
157.10120	2.3
158.07222	1.8
159.08028	6.3
161.05978	3.0
161.09608	2.3
163.07533	1.3
165.06995	5.0
166.07706	2.4
167.07068	2.0
167.08565	5.0
168.05725	1.0
168.09183	1.5
169.06461	2.9
169.10086	4.4
170.07167	1.1
171.08041	7.4
171.11618	1.2
172.08734	0.9
173.05952	1.6
173.09619	5.1
175.07494	3.9
177.09100	10.4
178.07718	1.9
179.07111	1.1
179.08504	5.9
180.09312	2.6
181.06459	2.6
181.08717	1.1
181.10086	4.1
182.07283	2.2
183.08028	9.8
183.11630	2.5
184.08820	6.1
185.05949	1.1
185.09596	5.8
185.13196	0.8
187.07518	4.0
187.11124	0.8
189.06943	1.3
190.07713	0.8
191.08556	2.4
192.09351	3.6
193.08572	1.9
193.10095	6.7
194.05428	0.9
194.07271	2.2
194.10808	2.2
195.08054	6.4
195.11670	3.6
196.08739	2.4
197.05974	1.8
197.09567	5.6
197.13278	1.2
198.06633	0.9
198.10252	1.1
199.07486	3.2
199.11157	1.9
200.08194	1.1
201.09096	2.6
202.07751	2.7
203.06967	0.8
203.08574	3.8
203.10315	0.6
204.09273	2.4
205.06422	0.8
205.10143	7.3
206.10776	2.3
207.08011	3.2
207.11671	5.6
208.08817	1.3
209.06215	0.7
209.09618	7.4
209.13174	1.7
210.10289	2.5
211.07469	3.1
211.11159	5.3
213.09015	3.2
214.09579	0.8
215.08600	0.9
215.10527	0.8
216.09349	2.4
217.10182	4.7
218.07295	1.3
218.10773	2.4
219.08200	4.0
219.11758	3.8
220.08844	4.0
220.12193	1.2
221.09601	8.7
221.13196	2.6
222.10283	2.8
223.07542	1.1
223.11208	5.4
223.14775	1.0
224.08099	1.1
224.11836	1.2
225.09102	3.7
225.12718	3.4
226.09839	1.3
227.10704	2.0
229.10034	2.2
229.12131	0.8
230.10867	1.9
231.08069	1.4
231.11620	2.6
232.08923	3.4
232.12402	1.5
233.09615	7.9
233.13222	2.3
234.10213	2.6
234.13857	1.1
235.07565	1.6
235.11174	15.2
235.14729	1.0
236.08128	1.0
236.11876	3.4
237.09113	4.2
237.12657	6.4
238.09888	1.6
239.10678	4.3
239.14330	0.9
241.12225	1.5
242.10855	1.9
245.09598	9.3
245.13284	1.6
246.10332	4.4
247.11147	5.8
247.14743	2.7
248.08217	1.5
248.12074	1.5
249.09058	2.4
249.12714	5.4
249.16348	0.8
250.10054	0.8
250.13336	1.9
251.10661	4.4
251.14319	5.8
252.11348	1.1
253.12230	5.6
254.12747	1.1
255.10007	1.0
255.13799	0.8
257.13153	3.2
258.13913	0.8
259.11230	5.4
260.11996	3.6
261.08923	1.6
261.12930	7.6
262.13434	1.7
263.10605	12.6
263.14221	3.2
264.11398	3.7
265.12360	4.1
265.15738	3.4
267.09949	1.3
267.13849	1.5
267.17175	0.7
269.09235	1.1
269.11920	1.1
270.10309	1.7
271.11032	2.0
271.14813	1.0
273.12518	2.8
274.13318	1.2
275.11252	1.0
275.14307	11.8
276.14886	2.2
277.08670	0.6
277.09143	0.8
277.12167	6.3
277.15790	3.3
278.12799	2.2
279.10193	1.9
279.13708	6.4
280.14294	1.0
281.11719	9.4
281.14941	0.9
282.12228	1.0
283.13342	1.3
285.12854	7.0
286.13437	1.1
287.10507	2.1
288.11319	1.5
289.12085	2.7
291.13715	3.2
291.17117	1.2
293.12088	1.1
293.15335	9.0
294.15967	1.1
295.13269	2.3
295.16656	1.4
297.11240	2.5
297.14764	0.9
299.12756	2.7
301.12186	1.3
301.15662	1.3
302.12555	1.0
303.13785	9.8
304.14258	2.1
305.11627	4.4
305.15048	1.4
306.12302	1.1
307.13144	2.7
307.16537	1.0
311.12878	0.8
311.16318	1.9
313.15741	1.1
315.13611	1.2
317.15234	2.3
319.13330	1.4
319.16821	2.0
321.11658	0.8
321.14871	8.2
322.15469	1.4
323.12723	3.8
325.14359	1.1
325.18015	0.8
327.17197	1.3
331.13168	1.2
331.16882	0.9
333.14749	1.2
335.12686	1.3
335.16382	2.5
337.14246	1.1
337.17792	1.8
339.16125	4.1
341.13934	1.7
345.14658	2.5
347.16281	1.3
349.14270	1.0
349.17957	1.1
351.15869	0.8
353.17590	1.4
355.16904	1.7
359.16113	1.6
361.14328	0.9
363.15720	4.7
363.19370	1.5
365.17200	1.0
373.17932	7.4
375.15656	2.7
375.19708	1.4
377.17444	1.7
381.12305	1.5
381.16949	27.4
382.17062	2.1
383.16208	2.6
389.17111	0.8
391.14423	0.9
391.19040	12.0
392.19366	1.4
393.16647	2.6
393.20935	1.0
399.18268	2.1
401.17441	22.5
402.17783	2.1
403.15250	1.3
407.22244	0.8
409.19937	7.6
415.18665	2.9
417.21036	4.4
419.18484	80.9
420.14172	0.7
420.18909	9.3
421.15933	1.2
433.19992	3.6
435.22177	8.5
435.27417	1.5
437.19580	72.9
438.19986	6.1
443.18491	4.7
444.18658	0.9
451.20901	3.0
453.22845	2.1
455.20621	10.4
456.20892	1.0
461.19583	19.0
462.19482	2.3
479.20605	34.8
480.20599	2.9
497.21643	14.3
498.21725	1.7
519.24103	4.1
537.24713	4.6
579.24921	1.5
597.26984	9.4
598.26489	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52345	3.3
53.90088	3.2
57.01925	3.3
63.19320	3.6
67.05508	7.2
69.07061	5.8
79.05482	7.6
81.07052	15.3
91.05460	7.0
93.07055	8.8
95.08622	11.5
96.92239	22.9
105.06998	8.5
107.08605	6.4
109.10152	6.0
119.08591	9.1
121.10179	6.8
123.11725	4.2
131.08612	4.1
135.11702	5.4
145.10103	5.0
157.10239	5.1
159.11716	6.0
161.09569	3.3
167.07050	40.7
179.72116	3.5
190.96188	4.4
192.50291	3.6
235.13254	7.3
309.11200	4.9
341.13852	9.2
355.15421	19.3
356.16101	26.6
387.17969	16.5
512.57782	3.8
597.28278	100.0
597.38251	12.3
598.28320	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.5
69.11833	4.9
69.12259	5.8
83.05006	1.5
90.58401	1.2
98.22581	1.7
105.03402	2.7
115.18092	1.2
117.07028	1.1
152.06310	1.5
179.08554	1.7
181.06552	1.9
194.07288	4.8
195.07906	1.9
205.06517	2.7
206.07169	2.3
207.08124	3.4
209.05934	2.3
209.09683	2.4
211.07518	2.5
219.08116	3.0
221.05978	1.7
222.06750	4.9
223.07613	2.1
224.08348	3.3
225.05614	1.5
225.09120	1.4
226.06221	2.8
227.07104	1.9
233.05963	3.7
234.06786	2.4
235.07518	4.2
236.08330	3.2
237.05486	1.6
237.09210	7.8
239.07031	2.2
239.10738	3.7
240.07861	2.9
242.60027	1.2
250.06285	8.8
251.07034	3.4
252.07874	6.9
252.88144	1.3
253.08649	2.4
254.05783	2.6
255.06657	1.8
256.07227	1.6
262.06320	1.8
263.07059	5.5
264.07770	3.5
265.08551	15.2
266.05777	2.6
266.09259	2.9
267.06607	4.1
267.10190	12.6
268.07257	3.3
269.08212	2.4
271.06058	1.9
277.08878	1.4
278.05780	1.8
279.06473	3.9
280.07327	5.2
281.08121	5.1
282.05374	1.5
282.08841	1.7
283.09586	1.5
284.06885	2.5
285.07507	2.3
291.06451	3.9
292.07312	3.0
293.08035	21.8
294.08627	2.9
295.06104	3.3
295.09601	22.3
296.06860	2.2
296.09955	1.6
297.07635	5.0
297.11053	2.7
299.09180	3.5
299.12567	1.9
300.06335	2.6
308.06787	3.2
309.04395	1.4
309.07642	5.5
310.08289	4.3
311.08972	3.5
312.09793	1.5
313.06958	3.3
314.07855	2.1
315.08624	10.7
316.09213	1.7
323.09305	7.3
324.09842	3.3
325.07208	1.5
325.10660	30.3
326.11426	5.2
327.08633	8.0
327.12329	3.6
328.09286	3.7
329.10223	7.6
337.10767	1.7
340.09503	4.0
341.10120	4.1
342.10992	22.3
343.11545	2.7
355.11761	100.0
356.12067	10.0
357.13306	52.4
358.13593	2.1
359.11285	5.4
367.11679	6.4
368.12628	1.5
369.13187	2.8
381.13312	5.3
399.14407	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42181	1.0
54.68338	1.0
55.05505	3.7
71.30843	1.2
71.31237	1.3
76.30654	1.1
81.07072	1.2
83.04985	4.2
100.97502	1.0
104.47287	0.9
104.81340	1.1
105.07011	1.2
121.03020	1.1
121.84301	0.9
165.07101	1.2
166.07809	1.8
179.08482	1.6
191.08504	1.3
194.07321	4.6
197.06021	1.2
205.06503	4.3
206.07294	1.9
207.07991	2.0
211.07625	1.4
219.08015	2.5
221.68747	1.2
222.06680	6.4
223.07478	2.2
224.08324	3.3
225.05527	1.3
233.05971	3.0
234.06874	1.7
235.07462	5.0
236.08344	3.1
237.05540	2.3
237.09067	7.4
238.06116	1.3
239.06947	2.4
239.10683	3.2
240.07761	1.7
241.08551	1.2
249.05356	1.4
250.06213	9.8
251.07057	4.7
252.07848	6.4
253.05090	1.4
253.08478	3.3
254.05695	4.3
261.05527	1.2
263.07080	4.0
264.07828	3.3
265.05481	1.6
265.08591	17.5
266.09183	2.6
267.06625	4.0
267.10165	8.2
268.07190	3.0
269.08066	2.0
269.11996	1.2
278.05679	2.5
279.06610	3.9
280.07315	6.5
281.08063	2.2
282.08801	2.3
291.06503	3.3
292.07346	3.8
293.08051	24.5
294.05466	1.4
294.08740	4.6
295.06104	3.7
295.09552	19.0
296.06790	2.4
296.10001	1.9
297.07541	4.0
297.11145	2.8
299.05676	1.3
299.09174	2.9
299.12891	1.4
300.06250	2.5
308.06836	2.6
309.07529	4.1
309.10944	1.5
310.08435	3.2
311.09045	2.1
312.10187	2.0
313.07135	2.2
314.07880	2.1
315.08585	7.7
323.09073	7.1
324.09485	1.5
325.07150	2.4
325.10638	20.5
326.11520	2.5
327.08578	4.6
327.12418	3.4
328.09509	2.9
329.10123	7.7
339.12381	1.8
340.09433	3.7
341.10065	3.0
342.10995	15.0
342.14789	1.7
355.11743	100.0
356.12122	8.5
357.13333	29.9
358.13568	2.0
367.11923	3.6
369.13425	1.8
381.13251	2.5
399.14398	12.3
505.20071	1.3
531.15796	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
57.03438	2.4
61.02930	1.9
67.05515	2.1
69.03425	6.6
69.50964	2.5
69.51366	7.5
79.05502	4.4
81.03421	15.9
81.07076	3.9
85.02901	16.4
91.05508	6.4
93.07056	1.8
95.04977	5.1
95.08620	2.4
97.02913	4.1
103.05491	4.3
105.07065	4.8
107.04945	11.6
107.08605	1.9
109.06512	2.0
109.11946	1.6
111.04427	1.9
115.05453	8.8
117.07024	18.6
119.04947	2.9
119.08574	2.7
123.04450	4.9
124.05240	3.5
125.06001	1.8
127.03918	15.9
129.06955	3.5
131.04951	1.9
131.08578	6.0
133.06505	4.3
133.10112	3.8
135.08101	1.5
135.11682	2.7
137.05971	4.8
141.07013	2.7
143.08551	2.1
144.05721	3.8
145.04938	2.8
145.06493	38.4
147.04408	3.0
147.08044	2.7
151.04041	1.5
151.07549	1.9
155.06036	4.6
155.08516	1.7
156.05708	6.2
157.06541	2.4
159.08052	8.5
161.05995	6.1
162.07584	1.7
163.03912	2.4
165.05447	1.9
167.07034	56.0
173.05994	70.2
173.09486	2.0
174.06369	3.0
175.07721	1.5
177.05486	2.5
180.08720	5.3
181.05019	2.4
183.06534	2.6
187.07570	6.6
190.06258	31.2
191.06892	4.9
193.08609	5.9
193.53108	1.5
195.06511	2.0
202.06274	4.4
203.07013	6.7
205.08601	100.0
206.08949	6.6
213.09135	1.8
217.08597	45.1
217.10538	3.0
218.09018	2.2
219.08293	1.9
219.10133	9.1
223.09656	4.2
229.08749	1.9
231.10262	3.0
235.09622	30.0
247.07466	2.9
247.09732	7.3
265.10715	26.7
269.08289	1.6
276.07574	1.6
291.10196	1.8
303.05463	1.9
307.09332	2.1
309.11020	1.8
315.08698	5.6
323.12808	2.7
330.10944	5.4
331.11771	5.5
337.10553	2.5
351.12216	3.5
371.14938	3.4
383.14795	11.8
384.15271	3.2
401.15979	11.9
431.25815	1.6
499.23050	1.6
509.21091	2.2
517.24207	4.7
527.21362	2.2
541.65283	1.5
545.23102	2.7
563.24225	3.4
593.43683	1.9
598.22803	9.5
599.21246	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.5
69.03432	5.9
69.11178	7.3
69.11598	2.9
73.06560	1.5
79.05483	10.4
81.07057	58.9
85.02876	2.1
91.05496	4.0
93.07043	3.6
95.04989	1.6
95.08617	3.7
97.02879	1.8
97.06545	2.9
97.68107	1.1
101.06025	1.5
105.07032	5.6
106.90806	1.1
107.04939	1.6
107.08593	3.9
108.14082	1.2
109.06522	20.6
113.02358	3.5
117.07043	1.9
119.05049	1.5
119.08572	3.6
121.06473	2.8
122.92141	1.3
123.08057	2.9
128.33580	1.1
129.07010	2.2
131.05020	1.2
131.08589	4.5
133.06474	2.2
135.08067	4.1
137.05978	79.9
138.06311	2.7
139.07552	1.7
141.07010	1.9
143.08530	3.5
145.06523	2.7
147.08046	5.2
149.05963	2.0
151.07553	1.8
153.06973	2.0
153.09047	1.6
155.07063	3.6
155.08517	1.5
159.08014	3.0
161.05984	1.8
161.09662	1.9
163.07555	2.8
165.07014	1.3
167.07149	1.4
167.08629	1.6
169.10158	1.9
171.08037	2.4
172.08818	1.4
173.05977	1.9
173.09669	1.5
175.07564	5.0
179.07083	1.4
179.08548	1.7
181.08566	4.0
181.10133	3.3
183.08090	3.2
185.06148	1.4
185.09616	1.3
187.07582	3.1
189.09055	1.4
191.07002	1.3
193.10223	2.1
195.08090	2.5
196.08762	1.6
197.09644	2.0
199.07591	1.8
199.11191	2.4
201.09129	4.4
203.08659	1.6
207.08200	1.7
208.08690	1.4
209.09641	2.9
211.07495	1.9
211.11198	1.9
213.09093	2.5
215.10732	1.7
221.09671	2.1
223.11194	1.9
225.09114	3.6
227.06949	1.7
227.10814	1.5
229.08583	3.0
233.09682	2.3
234.10571	1.7
235.11259	2.2
237.09160	2.8
239.10683	4.2
241.12250	2.1
248.08168	2.0
249.09067	1.7
251.10699	3.3
253.12187	2.2
255.10251	1.9
261.12769	2.1
262.09842	1.5
265.08350	2.0
265.12473	2.3
267.10117	1.9
279.10114	3.0
279.13806	1.9
280.10895	2.5
281.11801	2.4
281.15607	1.4
289.12399	1.3
293.11801	2.0
307.13388	1.6
308.10107	1.4
371.15445	3.5
389.17496	2.3
393.16833	1.7
399.15619	2.5
405.17169	3.0
407.18365	2.1
417.16702	4.4
421.16599	2.6
423.18433	1.9
433.16409	1.6
435.17984	7.2
436.17926	2.1
439.17599	2.9
445.16653	2.2
451.16989	2.2
453.19052	10.6
454.19543	2.1
463.17499	12.2
469.18658	6.5
471.19955	9.7
472.20450	2.3
481.18616	21.3
482.19019	3.0
487.19672	1.5
494.22223	1.4
499.19595	23.9
500.19855	3.4
509.18066	4.3
517.20667	24.9
518.21130	2.3
527.18903	4.5
535.21710	17.2
536.22009	2.1
538.21338	3.3
553.22955	11.3
554.23584	2.6
598.23358	64.2
599.18805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
57.03438	2.4
61.02930	1.9
67.05515	2.1
69.03425	6.6
69.50964	2.5
69.51366	7.5
79.05502	4.4
81.03421	15.9
81.07076	3.9
85.02901	16.4
91.05508	6.4
93.07056	1.8
95.04977	5.1
95.08620	2.4
97.02913	4.1
103.05491	4.3
105.07065	4.8
107.04945	11.6
107.08605	1.9
109.06512	2.0
109.11946	1.6
111.04427	1.9
115.05453	8.8
117.07024	18.6
119.04947	2.9
119.08574	2.7
123.04450	4.9
124.05240	3.5
125.06001	1.8
127.03918	15.9
129.06955	3.5
131.04951	1.9
131.08578	6.0
133.06505	4.3
133.10112	3.8
135.08101	1.5
135.11682	2.7
137.05971	4.8
141.07013	2.7
143.08551	2.1
144.05721	3.8
145.04938	2.8
145.06493	38.4
147.04408	3.0
147.08044	2.7
151.04041	1.5
151.07549	1.9
155.06036	4.6
155.08516	1.7
156.05708	6.2
157.06541	2.4
159.08052	8.5
161.05995	6.1
162.07584	1.7
163.03912	2.4
165.05447	1.9
167.07034	56.0
173.05994	70.2
173.09486	2.0
174.06369	3.0
175.07721	1.5
177.05486	2.5
180.08720	5.3
181.05019	2.4
183.06534	2.6
187.07570	6.6
190.06258	31.2
191.06892	4.9
193.08609	5.9
193.53108	1.5
195.06511	2.0
202.06274	4.4
203.07013	6.7
205.08601	100.0
206.08949	6.6
213.09135	1.8
217.08597	45.1
217.10538	3.0
218.09018	2.2
219.08293	1.9
219.10133	9.1
223.09656	4.2
229.08749	1.9
231.10262	3.0
235.09622	30.0
247.07466	2.9
247.09732	7.3
265.10715	26.7
269.08289	1.6
276.07574	1.6
291.10196	1.8
303.05463	1.9
307.09332	2.1
309.11020	1.8
315.08698	5.6
323.12808	2.7
330.10944	5.4
331.11771	5.5
337.10553	2.5
351.12216	3.5
371.14938	3.4
383.14795	11.8
384.15271	3.2
401.15979	11.9
431.25815	1.6
499.23050	1.6
509.21091	2.2
517.24207	4.7
527.21362	2.2
541.65283	1.5
545.23102	2.7
563.24225	3.4
593.43683	1.9
598.22803	9.5
599.21246	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29122	0.7
55.05513	26.1
61.58627	0.6
83.04980	20.1
91.86386	0.6
137.04510	0.7
149.06004	0.9
202.82657	0.6
219.08171	0.8
231.08084	1.2
232.08987	0.8
233.06000	0.8
233.09590	1.2
235.07474	1.7
237.08994	0.7
247.07579	1.6
248.08340	4.4
249.09062	2.6
251.07059	0.7
259.07483	0.6
260.08273	2.0
261.05463	0.6
261.09064	2.6
262.09879	0.7
263.07065	1.6
263.10696	5.0
264.07843	1.1
265.08847	1.0
274.06277	0.8
275.07040	3.2
275.10254	1.2
276.07834	3.1
277.08594	4.9
278.09274	1.8
279.10144	2.8
288.07855	1.1
289.08554	3.5
290.09317	2.4
291.06531	4.0
291.10162	5.6
292.07230	1.8
292.10995	1.9
293.08112	2.4
304.07202	2.5
305.07990	4.0
306.08856	4.1
307.06195	1.1
307.09631	3.7
308.10321	1.6
316.07407	1.3
317.07874	1.5
318.08945	2.5
319.06012	1.9
319.09653	4.8
320.06714	3.9
320.10413	2.0
321.07513	1.9
321.11240	3.1
323.12802	1.2
331.09546	1.7
333.07529	1.8
334.08246	7.8
335.09109	25.9
336.06213	0.7
336.09766	3.7
348.10001	0.7
349.10678	12.0
350.11444	24.6
351.08493	2.1
351.12228	7.5
366.10898	1.4
381.13306	100.0
382.13705	9.3
424.26321	0.8
466.49341	0.6
481.18375	0.7
598.36938	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	23.7
67.05505	4.2
69.15567	10.9
72.19077	1.3
79.05502	2.6
81.07070	3.5
83.04981	22.3
91.05515	2.0
93.07066	2.3
95.08594	3.1
105.07048	3.4
107.08614	1.8
109.10065	1.3
115.05456	1.5
119.08575	2.2
121.10125	4.0
141.06987	4.7
142.07410	2.1
145.10178	2.4
147.08000	1.7
154.95602	1.4
157.10162	1.9
171.11613	1.5
197.06015	7.8
198.06364	3.4
214.40262	1.5
220.08717	1.7
245.08578	1.4
248.08368	4.2
249.09081	2.7
260.08328	2.1
261.09134	2.5
263.07150	2.5
263.10608	4.2
264.07849	2.0
275.07053	3.8
275.10574	1.3
276.07831	3.6
277.08682	5.7
279.10092	4.0
287.62387	1.5
289.08670	2.1
290.09302	2.1
291.06604	4.2
291.10104	5.1
292.07480	2.5
292.10794	3.0
293.08011	3.4
305.08124	3.9
306.08759	2.8
307.09717	2.6
318.08923	3.0
319.06165	3.2
319.09735	3.4
320.06726	4.0
320.10284	3.2
321.07474	2.8
321.11172	3.5
322.92523	1.5
327.87891	1.6
331.09540	2.8
333.07458	2.3
334.08377	9.7
335.09128	26.0
336.09683	3.2
349.10605	9.4
350.11401	22.6
351.12265	9.6
366.11072	2.7
381.13321	100.0
382.13589	10.6
598.38904	2.2
599.35223	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
56.96563	1.0
57.03435	4.3
57.65266	0.4
68.99802	0.4
69.03440	2.0
70.06588	0.4
71.04975	1.6
75.04468	2.5
79.05499	2.5
85.02903	6.1
91.05462	1.4
95.04964	0.9
97.02892	1.6
98.23306	0.8
103.04856	0.4
103.05462	2.0
105.07028	24.0
106.07364	0.8
107.04952	2.8
109.02872	0.4
109.06498	0.9
111.04425	1.2
115.05453	0.7
117.07001	0.7
119.04980	0.6
121.06509	0.6
122.03660	2.0
123.04424	8.0
124.05260	0.5
127.03924	2.1
129.05409	0.4
131.04968	0.5
133.06487	54.6
134.06807	1.8
135.04384	2.6
135.08044	0.6
137.05968	100.0
138.06258	2.7
139.03889	17.1
139.22800	0.4
140.04211	0.5
141.43831	0.4
145.04955	1.0
145.06403	0.5
147.04387	2.1
147.08015	0.7
151.03903	1.6
151.07527	1.1
153.05469	0.4
161.05867	0.4
161.09605	0.7
163.03918	3.3
163.07538	4.8
165.05428	1.0
165.09111	33.6
166.09451	1.0
175.07555	3.2
175.11163	0.5
177.09064	1.1
179.00154	1.1
181.05014	1.0
181.08589	2.2
182.09178	0.5
183.10158	22.0
184.10472	0.6
187.03749	0.4
191.00308	0.4
193.08556	0.4
197.01172	1.4
203.10583	2.1
205.04878	0.9
209.01140	0.7
209.11769	1.0
218.99623	0.4
221.11693	3.6
231.06570	0.7
237.00722	2.1
239.12776	3.2
245.04437	1.0
247.05936	0.8
249.07637	0.5
255.01807	1.5
257.13821	95.4
258.14191	4.8
261.07526	0.4
285.09927	0.7
287.05521	1.6
288.05856	2.3
289.06113	2.6
290.06390	1.3
291.08594	2.2
301.03741	0.5
301.09402	0.5
311.05283	3.3
327.01660	0.7
345.02924	1.3
347.04114	0.4
363.03989	0.8
368.05099	0.6
377.05820	0.7
386.06650	0.6
465.04550	0.6
489.06754	0.4
607.81207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
56.96563	1.0
57.03435	4.3
57.65266	0.4
68.99802	0.4
69.03440	2.0
70.06588	0.4
71.04975	1.6
75.04468	2.5
79.05499	2.5
85.02903	6.1
91.05462	1.4
95.04964	0.9
97.02892	1.6
98.23306	0.8
103.04856	0.4
103.05462	2.0
105.07028	24.0
106.07364	0.8
107.04952	2.8
109.02872	0.4
109.06498	0.9
111.04425	1.2
115.05453	0.7
117.07001	0.7
119.04980	0.6
121.06509	0.6
122.03660	2.0
123.04424	8.0
124.05260	0.5
127.03924	2.1
129.05409	0.4
131.04968	0.5
133.06487	54.6
134.06807	1.8
135.04384	2.6
135.08044	0.6
137.05968	100.0
138.06258	2.7
139.03889	17.1
139.22800	0.4
140.04211	0.5
141.43831	0.4
145.04955	1.0
145.06403	0.5
147.04387	2.1
147.08015	0.7
151.03903	1.6
151.07527	1.1
153.05469	0.4
161.05867	0.4
161.09605	0.7
163.03918	3.3
163.07538	4.8
165.05428	1.0
165.09111	33.6
166.09451	1.0
175.07555	3.2
175.11163	0.5
177.09064	1.1
179.00154	1.1
181.05014	1.0
181.08589	2.2
182.09178	0.5
183.10158	22.0
184.10472	0.6
187.03749	0.4
191.00308	0.4
193.08556	0.4
197.01172	1.4
203.10583	2.1
205.04878	0.9
209.01140	0.7
209.11769	1.0
218.99623	0.4
221.11693	3.6
231.06570	0.7
237.00722	2.1
239.12776	3.2
245.04437	1.0
247.05936	0.8
249.07637	0.5
255.01807	1.5
257.13821	95.4
258.14191	4.8
261.07526	0.4
285.09927	0.7
287.05521	1.6
288.05856	2.3
289.06113	2.6
290.06390	1.3
291.08594	2.2
301.03741	0.5
301.09402	0.5
311.05283	3.3
327.01660	0.7
345.02924	1.3
347.04114	0.4
363.03989	0.8
368.05099	0.6
377.05820	0.7
386.06650	0.6
465.04550	0.6
489.06754	0.4
607.81207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
62.30375	0.6
69.03438	1.3
81.07047	1.3
85.02917	1.4
86.09705	7.4
92.25751	0.7
143.11774	1.5
154.02374	0.7
181.08626	1.2
184.07274	2.1
185.12875	0.8
211.18073	1.6
254.09390	1.0
257.08084	0.9
263.10687	0.8
268.10846	1.1
269.16025	0.9
271.09604	0.9
279.10239	1.0
285.11169	1.2
286.08392	1.2
291.10132	1.0
295.13266	1.5
296.10532	1.0
298.08289	1.0
299.09766	0.9
301.10715	0.9
307.13330	1.4
309.11163	0.9
313.10757	2.7
317.10242	2.6
318.10980	1.1
323.12762	3.7
327.12381	1.4
328.13126	1.9
330.10818	0.8
331.11908	1.3
332.12558	2.7
337.14456	1.1
338.15060	3.7
339.12213	1.8
339.15891	1.8
340.12805	0.9
344.12802	1.0
345.13498	1.3
354.14551	0.9
355.15359	4.6
359.14886	1.5
369.16989	4.7
370.17700	9.1
371.14975	1.2
383.23343	0.9
386.17303	2.5
401.19568	43.6
402.20020	3.1
409.28012	0.7
466.12115	1.2
467.26233	1.0
472.78683	0.7
563.24744	6.4
570.36316	1.1
571.19580	1.1
580.34216	1.5
584.62671	0.9
598.23615	1.4
599.18848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
65.50466	0.7
69.02148	6.8
69.03384	1.6
85.02908	3.1
137.05849	0.6
147.97900	0.6
180.96808	0.6
181.08537	1.5
211.07443	1.3
225.08920	0.7
226.09914	0.7
229.08533	0.8
239.07100	1.2
240.07767	1.0
241.08568	0.9
243.06290	0.7
251.10718	1.1
253.08588	1.1
254.09325	2.4
255.06516	1.4
255.10156	1.0
257.08047	2.1
257.10797	0.6
258.08786	0.7
263.10635	1.2
264.11401	2.1
267.06613	0.7
267.10120	1.1
267.13852	1.1
268.10828	2.3
269.08051	1.5
270.08710	2.9
271.06091	0.9
271.09631	1.3
277.12173	1.1
278.13004	0.8
279.10245	1.5
279.13800	1.8
280.10898	1.3
281.07941	0.9
282.08939	1.1
284.06967	0.7
284.10315	1.8
285.07553	0.9
285.11142	2.3
286.08313	3.5
287.09015	1.5
291.10095	2.1
292.10843	1.3
293.08145	0.9
293.11575	1.4
294.12326	1.2
295.10019	1.1
295.13239	4.2
296.10403	1.7
297.07712	1.3
297.11166	0.8
298.08377	2.4
299.09409	3.2
299.12549	1.2
300.10013	0.8
301.07394	1.1
301.10678	3.9
302.07822	1.6
302.11258	1.1
303.08527	0.9
305.11630	0.8
306.12469	1.9
307.09839	1.3
307.13260	2.4
308.10367	1.6
308.13989	1.1
309.11292	2.6
309.14752	1.4
310.11917	0.8
310.15369	1.4
311.12741	1.4
312.10016	1.1
313.10727	6.2
314.11328	4.2
315.08551	1.5
316.09531	1.1
317.10236	4.7
318.10870	3.3
322.11798	1.4
323.12750	10.3
324.13474	4.6
325.10693	1.4
326.15219	0.9
327.12332	2.9
327.15756	1.1
328.13022	5.0
329.10104	1.4
329.13794	0.8
330.10706	3.0
331.11823	3.7
332.12534	11.3
333.12952	1.1
337.14401	4.1
338.15137	7.4
339.12183	3.4
339.15884	5.9
340.12912	1.9
341.13809	0.8
344.12704	0.9
345.13330	4.3
352.16840	0.8
354.14532	3.2
355.15417	10.0
356.15665	1.0
358.14133	0.9
359.14737	4.6
369.17017	13.7
370.17712	24.6
371.14462	1.4
371.18600	1.4
372.15622	0.9
386.17300	4.5
401.19577	100.0
402.19928	8.4
494.22296	1.1
538.21320	1.6
540.97614	0.7
563.24866	16.0
564.25305	1.8
565.28003	0.6
598.23383	27.3
599.18524	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.2
53.03937	0.7
55.01862	0.7
55.05509	0.3
55.49149	0.2
57.03429	0.4
65.03925	0.3
66.04705	0.2
67.05489	0.6
70.06583	0.2
77.03911	0.2
79.05059	0.3
79.05492	4.7
81.03401	0.3
81.07037	0.7
83.04963	0.6
83.08609	0.2
85.02920	0.4
90.04697	0.3
91.05471	2.8
91.59798	0.2
92.06262	0.2
93.07035	0.8
95.04954	1.1
95.08617	0.6
97.02911	0.2
103.05463	3.4
103.22529	0.2
104.06256	0.5
105.03356	0.3
105.07027	21.1
106.07338	0.5
107.04956	2.4
107.08572	0.6
109.06521	1.1
109.10116	0.3
115.05449	1.3
117.07009	0.7
118.04150	2.5
119.04955	0.7
119.08572	0.5
120.05715	0.8
121.06519	1.2
121.10142	0.3
122.03629	0.4
122.07295	1.1
123.08053	0.3
124.05220	0.6
131.04927	0.5
132.05693	1.0
133.06483	16.3
134.07224	0.9
135.04402	1.5
135.08072	2.3
137.05974	7.3
137.09549	0.3
147.08052	0.4
148.05159	0.9
149.05949	0.5
150.06755	7.2
151.07431	0.8
161.06018	0.4
163.07552	0.6
165.09114	14.9
166.09464	0.5
167.07022	0.2
169.10033	0.2
175.07547	0.3
177.05316	0.2
177.46710	0.2
178.06229	1.0
181.08609	0.6
189.83678	0.2
191.65131	0.2
192.07854	0.3
193.08597	100.0
194.08934	4.1
194.10608	0.4
195.10147	0.7
207.10188	0.5
208.10825	0.4
210.08788	0.2
225.11177	0.4
243.47011	0.2
283.15317	0.5
339.17740	0.3
580.31946	0.3
599.34186	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15538	0.5
52.53811	0.7
55.05486	0.7
63.45978	0.6
67.05508	1.5
69.00967	6.0
69.01315	0.8
69.03431	17.7
69.07051	0.6
77.91387	0.7
79.05505	1.6
81.07059	2.1
83.04974	0.7
83.70516	0.5
87.04448	1.3
91.05452	2.9
93.07055	2.2
95.04984	2.7
95.08592	2.3
97.06539	0.9
105.07038	3.5
107.04960	0.9
107.08593	1.9
109.06505	3.3
111.08073	1.6
115.03961	0.8
117.07022	2.4
119.04967	0.9
119.08592	2.3
121.06471	3.6
123.08055	4.0
125.26761	0.6
128.06183	1.4
128.27599	0.6
129.07024	2.5
130.07814	0.6
131.04967	0.9
131.08563	4.1
133.06516	2.2
133.10156	1.5
135.08067	4.2
137.05978	1.2
137.09535	0.6
139.07533	14.0
141.06985	1.4
142.07834	1.6
143.08562	3.4
145.06541	1.6
145.10162	2.8
147.08089	2.0
147.11734	0.8
149.06018	1.4
149.09608	6.9
151.07542	3.2
153.05502	2.0
154.07780	0.7
155.08510	3.0
157.06538	0.7
157.08759	1.2
157.10143	3.5
159.08031	3.4
159.11824	1.2
160.08841	0.8
161.09621	2.8
163.07574	0.6
163.11121	1.3
165.06932	0.7
165.09134	1.3
166.07733	0.6
167.08571	1.7
168.09351	0.8
169.06418	0.8
169.08755	1.1
169.10167	2.8
171.08009	1.8
171.11708	2.1
172.08777	0.8
173.09651	3.4
175.07596	1.1
175.11201	2.2
177.09128	1.6
179.08582	1.4
181.08644	1.4
181.10173	2.6
183.08052	1.1
183.11716	1.7
185.09627	3.1
187.07631	1.2
187.11171	3.5
189.09131	1.5
191.10597	0.9
192.09450	0.8
193.08618	1.4
193.10175	1.3
195.06549	1.8
195.10164	12.9
195.11659	1.0
196.08789	0.7
197.09557	1.4
197.13307	0.7
199.11188	3.7
201.09001	1.1
201.12749	1.5
203.10649	1.5
207.10039	3.3
207.11836	1.0
209.09625	1.0
209.13295	0.7
211.07613	0.7
211.11328	1.1
213.07452	1.0
213.09175	1.8
213.12750	1.1
215.10487	0.7
219.11879	0.7
221.11720	2.3
221.13527	0.9
223.11160	1.1
225.09187	0.9
225.12714	1.1
227.10718	1.9
229.12181	0.7
231.10080	0.7
237.09192	0.9
238.66768	0.7
239.10732	1.1
239.14360	0.8
241.12274	0.7
241.43736	0.6
243.13821	1.1
245.11687	1.7
247.11235	1.4
251.14236	1.1
253.12331	1.0
263.10623	0.8
265.12173	1.0
267.13788	0.8
271.13431	0.9
277.15808	0.9
279.13971	0.8
279.17575	0.8
283.13425	0.8
295.13364	1.1
307.17175	0.7
337.17935	1.1
341.13660	0.8
365.17331	0.7
373.18057	0.8
409.20010	0.9
413.19543	1.1
421.19968	1.2
423.21863	0.7
439.20947	1.3
451.21396	0.8
453.17853	1.0
453.22977	2.2
457.22769	1.1
459.20166	1.4
463.21024	1.4
465.23166	1.1
467.20660	1.7
471.20135	1.7
481.22244	2.2
483.23346	1.3
487.23532	0.7
489.21252	2.3
491.20706	1.8
499.23474	4.1
509.21786	2.8
517.24323	1.6
527.22717	26.1
528.23071	2.2
545.23785	100.0
546.24194	10.5
563.16003	1.4
563.24817	26.4
564.25006	2.9
599.18988	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32907	0.9
55.01869	1.6
56.72117	1.0
58.79881	1.0
60.29388	1.0
67.05499	1.8
68.68709	1.1
69.03082	1.9
69.03429	23.6
69.13786	1.0
70.47406	2.6
74.69987	1.0
79.05501	2.8
81.07053	2.5
91.05482	3.8
93.07070	3.2
95.04975	4.4
95.08598	2.7
97.06513	2.2
104.23099	1.0
105.07055	5.0
107.04929	2.3
107.08617	2.6
109.06528	4.2
111.04445	1.5
111.08094	2.0
117.07018	3.4
119.08587	2.8
119.83415	1.1
121.06479	6.0
123.08083	2.3
127.99165	1.0
128.06256	2.2
129.07002	3.1
131.08594	4.3
133.06516	2.6
135.08037	7.7
137.05994	3.0
137.41539	1.1
139.07538	21.9
141.07024	2.2
143.08604	6.2
145.06525	2.2
145.10130	4.6
147.08069	5.0
147.11699	1.4
149.05954	1.7
149.09592	7.4
151.07570	2.3
153.05476	1.8
155.08563	4.0
157.06535	2.1
157.10126	3.3
159.08046	7.5
161.05940	1.2
161.09651	4.2
163.11203	2.1
165.09119	1.7
169.08723	1.4
169.10126	2.5
171.08055	4.0
171.11757	2.5
173.09596	6.3
175.07547	2.0
175.11209	3.2
177.09190	1.7
181.08624	3.6
181.10088	1.5
183.11731	1.5
185.09618	4.1
187.07616	2.0
187.11166	8.1
188.11725	1.4
189.09053	2.0
189.12762	1.4
191.07036	1.5
191.10678	1.9
193.10236	1.3
195.10149	16.1
195.11739	1.9
197.09685	1.8
199.07585	1.5
199.11255	4.1
201.09138	2.5
201.12724	3.1
203.07053	1.2
203.10692	3.6
205.08566	1.5
207.10130	3.5
209.09734	2.5
211.07553	1.7
211.11238	1.7
213.12688	1.3
215.10703	1.8
217.08372	1.2
217.12169	1.2
219.10007	1.8
221.11681	2.9
223.11072	1.9
225.12857	1.3
226.09953	1.2
227.10678	3.7
229.08617	2.1
229.12198	1.7
231.10104	1.4
233.11784	4.1
237.12900	2.3
241.12277	1.8
249.12885	1.3
257.11615	1.6
267.13702	2.1
269.11780	1.3
281.11810	1.4
295.13202	1.7
349.18152	1.5
359.15735	1.3
361.17798	1.6
377.16733	1.6
391.18976	2.0
401.16528	1.2
407.18161	1.6
409.19852	1.4
413.19321	2.2
419.18256	1.9
423.21796	1.9
435.21915	2.1
451.21729	2.2
453.22937	3.9
457.22583	1.3
463.20914	2.3
465.22693	3.8
467.20676	2.3
471.20300	2.5
481.22168	3.8
483.23816	4.9
489.21042	7.6
491.20532	3.1
497.22232	5.0
499.23529	6.5
509.21646	12.3
510.22202	1.5
517.24207	2.8
527.22656	34.9
528.22876	2.9
535.24988	1.4
545.23816	100.0
546.24237	11.7
563.24854	56.4
563.32495	1.0
564.25299	5.7
599.19067	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92290	1.4
55.01872	2.1
64.15817	1.4
67.05510	3.9
69.03431	36.4
69.25929	9.8
79.05500	5.6
81.07063	7.3
83.04985	2.1
84.83035	1.4
85.02907	2.7
91.05502	6.5
93.07057	3.2
95.04983	6.6
95.08588	4.3
97.06512	2.4
98.22591	2.1
105.07040	7.3
107.04961	1.5
107.08611	4.8
109.06517	8.2
111.04445	1.5
111.08080	2.2
113.06024	5.1
115.03925	2.1
117.07010	4.3
119.08593	4.6
121.06511	6.0
121.10186	1.8
123.04449	1.5
123.08072	4.9
127.03913	2.4
127.07569	3.0
127.78300	1.3
128.06230	2.9
129.07034	4.5
131.04976	2.7
131.08594	6.0
133.06490	4.2
133.10097	2.7
135.08064	7.8
137.05960	8.6
139.07530	37.3
141.06999	3.1
142.07790	1.5
143.08571	8.6
145.06520	7.1
145.10155	6.0
147.04381	2.8
147.08058	6.9
147.11763	1.6
149.06010	2.6
149.09633	6.8
151.07524	3.9
153.05458	3.7
154.07825	1.5
155.07104	2.0
155.08536	3.6
157.10127	6.5
159.08026	7.4
159.11693	3.2
161.09644	5.8
163.07578	3.6
165.06932	2.5
165.09117	2.9
167.07111	2.6
167.08490	1.7
169.06491	1.8
169.10132	4.7
171.08069	5.8
171.11758	2.0
173.09579	15.3
175.07559	2.8
175.11284	7.5
177.09103	2.5
179.07019	1.8
179.08540	2.3
181.08633	2.2
181.10095	4.4
183.08130	2.4
183.11765	1.9
184.07404	2.0
185.09676	6.7
187.07564	3.8
187.11198	16.4
188.11618	1.9
189.09155	5.9
191.10718	3.9
193.08597	2.5
193.10199	2.7
195.08243	3.3
195.10179	9.5
195.11752	3.5
197.09673	2.3
199.11197	4.7
201.09103	3.5
201.12750	2.6
203.10713	5.1
205.08594	3.4
207.10152	3.5
207.11847	2.7
209.09599	2.5
211.11145	2.9
213.09222	3.7
213.12781	1.6
217.12286	2.2
219.10027	2.4
221.11606	3.7
221.13515	2.1
223.11241	2.9
225.09113	3.2
225.12718	2.9
227.10663	4.7
227.14215	1.4
229.08568	2.3
231.10048	2.0
233.11626	11.4
234.10498	1.7
235.11288	2.4
237.09138	2.1
237.12787	2.4
239.10622	1.6
241.12292	2.6
245.11684	3.2
249.12746	3.3
251.14226	1.9
253.12262	4.6
254.12907	1.7
255.10033	1.7
255.13881	3.5
257.11792	1.8
265.12305	2.0
267.13669	2.5
271.09567	2.1
281.11746	1.8
283.13437	1.7
287.14560	1.9
295.13553	1.6
305.15207	2.3
311.12769	1.7
321.14737	1.6
335.16348	1.6
349.18024	2.2
362.15408	1.6
363.19785	2.2
379.19070	2.8
391.19150	3.1
397.43732	1.6
409.20111	9.2
413.19666	2.4
419.18188	2.4
421.20108	4.0
423.21677	5.5
427.21341	3.3
433.20047	3.0
437.19473	5.2
439.21057	2.8
441.18665	2.2
447.21402	1.7
449.19611	3.8
451.21191	4.4
455.20471	3.1
459.25360	1.9
461.19806	2.3
463.21274	3.2
465.22491	3.4
467.20523	3.6
469.22141	7.9
473.21121	2.4
479.20499	3.5
481.22107	7.3
483.23993	3.6
485.22067	2.9
487.23260	2.4
489.21249	6.7
491.20959	4.0
497.21567	6.7
499.23163	14.5
500.23602	1.9
503.22562	3.0
509.21664	17.8
515.22797	2.6
517.24249	9.6
527.22754	48.7
528.23022	4.7
535.25238	3.1
545.23785	100.0
546.24402	8.8
563.24854	95.6
564.25134	8.8
581.26514	2.3
598.27875	4.1
599.19000	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32137	1.7
66.50991	1.5
69.07072	3.5
69.80003	5.7
81.07028	2.0
85.02903	2.8
89.97103	1.5
91.05484	4.5
95.04967	16.7
97.02913	2.4
105.07033	3.6
106.04163	2.6
107.04952	2.4
117.07057	2.4
121.06506	4.1
123.04420	10.1
124.05199	2.5
128.06255	2.3
130.07799	3.8
134.03661	2.4
135.08083	2.5
136.05179	3.2
137.05966	3.2
138.06793	10.7
139.07593	2.1
140.04713	4.1
141.05460	5.0
143.08597	3.0
144.79152	1.7
145.10071	9.0
147.08061	1.8
148.05194	4.4
151.07550	2.5
152.04727	3.8
154.06253	14.2
155.07048	8.3
158.07259	10.1
163.07600	2.1
165.05534	2.6
166.06241	20.8
167.07042	72.7
169.08598	21.2
171.08061	4.9
172.63327	1.7
173.09613	36.9
175.07637	2.7
178.09843	2.7
180.07857	5.9
181.05064	3.8
181.08594	95.7
182.08920	2.9
183.06538	17.3
189.08966	1.7
191.10583	2.2
192.07907	3.3
193.08510	2.5
194.09415	4.5
195.10172	31.8
195.11801	3.3
197.08069	10.7
201.09106	100.0
202.09755	9.1
209.11726	6.8
216.11453	41.9
217.08630	5.1
217.12181	4.7
218.09380	4.6
223.13306	2.2
225.11179	2.0
230.06856	1.7
232.10887	9.5
233.11726	96.7
234.12096	4.7
237.14912	2.6
247.13289	66.0
248.13565	3.1
251.10301	2.2
251.12776	37.4
265.14340	12.1
401.19608	25.7
402.19922	2.1
419.20486	2.3
599.19202	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75758	1.1
54.90411	1.1
57.64962	1.1
65.03891	1.0
66.49049	1.1
67.01508	1.0
67.05507	2.2
69.03433	36.0
69.60579	5.7
71.04935	1.3
72.36207	1.0
79.05498	3.3
81.07063	9.4
83.05000	1.9
85.02920	2.2
87.04465	3.4
91.05497	4.7
93.07056	3.6
95.04964	4.4
95.08602	3.8
97.02878	3.3
97.06538	1.3
99.04452	1.7
105.07011	6.6
107.04959	1.2
107.08611	6.1
109.06520	4.7
111.08076	2.4
115.03931	4.6
117.07045	1.8
119.04958	1.7
119.08589	3.9
121.06493	5.1
121.10177	1.9
123.08067	9.9
125.05988	2.0
129.06976	2.4
131.08566	3.9
133.04971	3.6
133.06508	7.3
133.10132	3.1
135.08046	13.0
137.05980	7.7
137.09625	1.3
137.13235	1.6
139.06476	1.9
139.07549	33.1
140.07820	1.6
142.07744	1.6
143.08574	3.3
145.06488	3.7
145.10117	4.5
147.08040	7.3
147.11673	2.4
149.05957	1.8
149.09659	9.6
151.07561	3.8
155.08571	3.0
157.08597	2.8
157.10139	3.8
159.08095	4.2
159.11702	2.8
160.05046	1.4
160.08891	1.6
161.09660	5.5
163.07567	3.7
163.11194	2.4
165.09090	3.5
167.07004	3.7
167.08455	1.3
169.10129	3.8
171.08028	2.4
171.11630	1.6
173.09637	4.0
175.07515	2.8
175.11211	6.1
177.09093	5.0
179.07048	3.8
179.08551	1.6
181.08598	7.0
181.10033	2.0
183.08038	1.8
183.11636	1.8
185.09631	2.8
187.11192	3.8
189.09050	5.1
189.12740	2.3
191.10654	3.8
193.08565	2.7
193.10178	1.6
195.10152	8.6
195.11699	2.5
197.09651	1.4
199.11064	2.0
201.09087	2.4
203.07008	1.4
203.10680	13.7
207.13779	1.2
209.08006	2.5
209.09814	2.0
209.11674	2.5
211.14774	1.4
213.09045	2.0
213.12752	1.4
215.10693	2.3
217.08549	1.5
217.12238	1.8
219.10117	2.2
221.11694	19.2
225.09181	2.0
225.12788	2.1
227.10638	1.8
227.14412	1.6
229.06934	1.7
229.12259	1.6
229.15778	1.1
231.10045	2.5
231.13666	2.1
237.12779	1.8
239.14212	2.2
241.12178	1.6
243.13800	1.6
245.08156	1.2
245.11690	2.0
255.13762	1.9
257.15613	1.5
265.09064	1.4
267.13913	1.6
269.12299	1.2
269.15112	5.7
271.13126	1.7
273.14856	2.6
283.13263	2.9
285.14819	2.1
289.10400	4.2
289.13791	1.1
293.15332	1.4
295.13318	1.6
295.16699	1.4
297.14789	1.5
301.14368	4.5
303.16153	1.2
307.15726	2.1
331.15442	1.3
337.17993	1.1
341.13351	1.4
359.14828	3.4
363.19586	1.3
367.18982	1.6
369.13171	2.5
375.14227	2.2
377.16110	3.5
387.14273	2.8
387.18506	2.1
401.15756	2.5
405.20172	1.1
409.19775	1.7
423.21640	2.5
433.14783	3.1
451.21133	3.9
453.22766	2.0
465.23065	1.5
469.22302	12.8
471.24030	1.4
481.22076	4.5
482.22455	1.4
483.23837	9.5
487.23334	14.5
488.23111	1.5
499.23282	16.8
500.23166	2.0
501.24591	5.4
505.24448	2.5
509.21451	3.6
517.24298	13.7
518.24298	1.3
525.20801	1.5
527.22821	39.3
528.23114	4.1
545.23853	72.1
546.24170	7.1
563.24805	9.4
564.24713	1.2
593.28253	1.1
598.28619	2.1
599.20941	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
55.01866	2.4
55.05504	1.8
57.03436	16.7
57.07069	1.9
59.04997	2.9
61.02930	2.1
63.89311	1.0
67.05497	6.5
69.03430	50.9
69.07063	3.2
69.85982	0.9
71.01328	1.2
71.30527	1.4
71.30924	1.6
73.02915	7.1
79.05485	10.4
81.03415	3.1
81.07053	100.0
82.07385	1.5
83.04990	2.6
85.02905	39.6
87.04468	32.5
91.03959	1.3
91.05489	1.8
93.07056	3.0
93.11402	0.9
95.04951	1.8
95.08598	18.0
97.02892	52.8
99.04453	4.1
103.03979	1.8
105.07027	2.4
107.04918	1.0
107.08556	1.5
109.02902	2.4
109.06553	1.7
109.10201	2.5
111.04469	1.9
115.03929	63.8
121.06548	1.4
123.04414	1.4
127.03922	9.8
131.08585	1.1
133.04962	76.3
134.05321	1.0
137.05975	3.3
137.13255	20.0
139.03925	2.6
145.04947	9.4
150.07632	4.8
157.04968	3.7
163.03886	1.1
163.06026	3.0
165.05539	1.3
169.04945	1.2
175.06042	4.4
187.06039	1.4
193.05003	1.5
199.06090	1.1
211.06055	3.7
217.07230	1.6
223.06128	1.0
229.07040	10.4
241.07124	3.1
247.08104	5.8
259.08118	6.6
265.09174	11.6
277.09116	2.7
295.10196	7.0
437.21109	1.4
510.05469	1.0
519.21741	1.5
545.19861	1.1
599.24384	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	14.4
67.05508	33.6
68.17553	2.9
69.07062	11.8
69.24700	21.0
78.44955	2.8
79.05491	15.8
79.15553	3.4
81.07063	36.2
83.08631	5.1
91.05464	16.3
93.07034	18.8
95.04948	3.1
95.08597	44.4
97.06554	4.7
105.07034	41.1
107.08598	16.3
109.10136	20.6
119.08575	31.0
121.10159	14.2
123.11722	9.2
131.08557	7.3
133.10106	18.4
135.08228	3.5
135.11664	9.4
137.05998	13.7
145.10158	4.9
147.11667	27.5
160.27136	3.5
161.13251	7.9
163.11237	5.1
167.07080	6.8
175.14821	5.3
203.17953	100.0
205.12294	4.0
282.90808	3.4
283.15427	11.5
301.16559	5.1
325.14389	10.5
337.27185	10.2
337.57797	4.1
361.20056	10.0
425.62344	3.7
430.68060	3.2
448.23215	3.2
545.38342	9.2
563.38397	4.5
598.29175	3.7
598.38086	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	26.2
57.03435	9.3
57.07068	4.8
67.05505	84.9
69.07059	19.3
71.04993	19.9
71.31332	4.5
71.31824	4.8
75.60007	3.7
79.05505	23.9
81.07055	100.0
81.49557	4.9
82.07365	4.4
83.08621	16.2
85.06525	7.7
91.05465	22.3
93.07041	29.1
95.05070	4.6
95.08604	40.2
97.06554	4.8
97.10166	7.1
105.07037	17.2
107.08581	14.5
109.10144	19.3
119.08559	7.5
121.10172	11.9
123.11710	18.2
131.08499	5.0
133.10153	16.6
135.11723	6.8
147.11653	5.0
149.13321	5.7
161.13272	3.9
187.13269	6.2
190.06201	4.3
191.21011	4.5
246.99522	5.1
267.15891	5.0
269.17639	5.3
301.20291	8.1
312.61682	4.1
328.54254	4.4
337.27356	32.6
352.05792	4.2
478.53391	5.5
505.38885	92.3
506.39090	12.4
519.40186	5.5
531.40472	9.4
563.42999	46.1
564.43359	6.3
586.37195	4.3
598.49072	5.9
598.62744	6.5
599.41339	6.0
620.14368	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.1
57.07079	32.9
58.01984	1.1
67.05492	2.8
69.07066	5.2
69.21748	7.6
71.08629	30.6
72.39060	1.1
73.06570	7.7
73.14055	1.2
81.07051	3.1
81.24027	1.2
82.91787	1.1
83.08623	3.5
85.10185	15.5
86.31131	1.1
87.04460	5.9
89.06034	100.0
90.06376	1.3
91.05472	3.4
93.07037	2.5
95.08601	3.9
97.10164	6.0
99.11736	3.5
105.07047	3.1
107.07086	3.0
107.08597	1.8
109.10150	2.2
111.11735	3.5
117.09123	5.6
119.08611	2.5
125.13297	1.9
125.81580	1.2
127.14814	1.6
130.08635	1.6
131.08563	1.5
133.08603	53.8
135.10063	1.6
145.10150	1.5
165.07126	1.3
177.11221	20.0
203.18024	2.0
221.13786	2.5
239.14917	1.6
255.26855	1.5
283.17639	2.2
299.29456	5.3
327.20056	2.5
343.32074	3.4
357.16714	2.2
371.22650	5.3
397.16006	3.7
456.77509	1.4
571.06030	1.4
581.45966	5.3
598.48743	1.9
598.61969	1.4
599.24280	1.5
599.32532	2.2
599.40814	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1885
Annotation	Reptanthrin
Peak:m/z	Relative Intensity
51.08195	0.4
56.95715	0.4
69.45384	1.4
69.45776	0.9
150.69814	0.4
525.18994	0.8
535.24792	0.4
539.26184	0.5
599.18896	100.0
600.19208	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90740	0.2
60.23004	0.3
69.22337	2.1
72.79172	0.2
141.89078	0.3
250.78345	0.3
285.12723	0.3
289.08289	0.7
311.21237	0.3
317.07892	0.8
327.65323	0.3
379.08008	0.7
433.12720	0.5
434.13507	0.4
466.12360	0.6
530.91052	0.3
571.19489	1.2
584.16620	0.3
599.18860	100.0
600.19189	12.5
600.28882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87916	0.3
63.54719	0.3
69.36666	0.8
69.37073	1.4
85.44139	0.3
167.06931	0.3
237.43596	0.3
289.08478	1.2
317.07916	1.0
329.11536	1.1
379.08167	0.7
422.38782	0.3
433.12741	0.7
466.12234	0.3
532.89337	0.3
533.67957	0.4
599.18866	100.0
600.19238	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1886
Annotation	Reptanthrin
Peak:m/z	Relative Intensity
53.80233	0.3
63.64135	0.3
67.05498	0.5
69.03439	0.3
69.27212	2.1
81.07051	0.8
91.05482	0.6
93.07056	0.9
95.04987	0.5
95.08602	0.6
104.61086	0.3
105.07041	0.8
106.26559	0.3
107.08569	0.7
109.06570	0.8
111.08111	0.4
115.05481	0.4
117.06975	0.4
119.08611	0.9
121.06516	0.7
121.10171	0.4
125.02238	0.3
129.07056	0.6
131.08524	0.7
137.05983	1.5
137.06938	0.3
139.07483	0.6
143.08263	0.4
145.10175	0.7
149.05994	0.4
152.38219	0.3
157.10107	0.9
158.10426	0.5
159.08011	0.7
164.07884	0.4
167.07037	3.7
167.08359	0.5
168.07414	0.7
171.08083	0.4
173.09628	0.4
175.11227	0.4
184.60013	0.4
185.09593	0.4
201.09126	0.4
202.09497	0.4
211.11195	0.4
252.41606	0.3
265.10635	1.7
266.11166	1.4
289.08322	0.9
317.07739	0.4
329.11304	0.5
361.59720	0.4
406.47983	0.4
454.11490	0.4
455.24368	1.0
456.24661	4.1
466.23276	0.6
483.23822	0.6
484.24014	1.9
489.24902	1.0
499.23007	0.4
500.23444	1.7
502.24957	0.7
510.21884	1.8
528.22949	1.1
546.23718	1.2
547.25433	0.5
564.26080	0.4
571.20898	0.5
599.18903	100.0
600.19232	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1971
Annotation	Catechin 3-O-rutinoside
Peak:m/z	Relative Intensity
53.03948	1.9
55.01878	3.1
55.05500	1.0
56.96572	1.0
57.03439	8.4
61.02932	2.7
65.03935	1.4
65.13560	0.9
67.05497	2.2
68.99794	2.8
69.03433	11.3
69.12970	6.9
71.04997	46.2
73.02919	2.9
75.04482	3.1
78.79579	0.9
81.03417	1.4
83.04975	5.0
85.02907	64.4
87.04474	1.9
90.03078	0.8
91.05481	2.0
93.03415	2.8
95.04983	2.0
97.02881	3.8
98.22530	1.6
98.37883	0.9
99.04474	1.6
105.03407	1.0
105.07031	2.6
107.04972	6.3
109.02879	2.2
111.04448	7.8
114.91206	0.8
115.26383	1.1
119.04951	7.1
121.02839	1.7
121.06520	2.7
123.04433	93.7
124.04723	2.0
125.59719	1.1
127.03912	7.5
129.05473	15.9
131.04907	1.2
133.06516	5.4
134.06827	1.4
135.04440	13.1
137.02272	1.3
137.05963	11.1
138.06329	2.9
139.03902	100.0
140.04248	3.4
143.04922	2.1
144.08034	1.4
145.05052	1.2
145.06361	1.1
147.04405	25.0
147.05492	1.6
147.06372	4.7
148.04649	1.1
149.06003	3.2
151.03906	15.7
153.05476	2.3
159.04372	1.3
161.05954	6.5
163.03911	45.3
163.07568	1.1
165.05481	19.0
165.09105	2.1
166.09428	1.6
169.04990	1.1
173.02130	3.8
175.03978	2.8
177.05490	8.9
179.03511	1.2
179.07098	1.9
181.04965	22.4
187.03978	1.9
189.05501	7.9
193.04956	5.2
197.01230	2.1
201.05463	1.2
203.07071	3.5
205.04959	26.7
207.06473	4.7
213.05396	1.0
217.04863	2.4
227.02171	1.0
229.05038	2.3
231.06514	15.8
235.06064	3.4
237.00771	1.6
239.02843	0.9
243.06616	1.3
247.05971	4.8
249.07578	17.4
249.11385	1.5
255.01672	1.3
257.13870	4.2
258.04880	1.0
258.14172	4.4
261.07617	1.9
265.07132	1.9
267.08640	18.8
271.05841	1.3
273.07568	8.9
283.08136	5.0
285.07019	1.6
285.09753	23.8
288.05823	1.9
291.08640	33.1
292.09015	1.3
297.07477	1.2
301.09235	9.7
303.08652	4.1
311.05246	15.3
312.05444	1.9
315.08652	9.6
333.09656	6.1
339.08521	2.3
345.09763	1.2
357.09674	7.5
383.11154	6.1
393.11740	3.0
401.12360	4.2
411.12906	1.8
417.11728	1.4
419.13330	3.7
429.14426	1.2
437.14276	2.3
599.11407	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01871	1.1
57.03429	0.5
61.02923	0.4
68.99790	0.5
69.03423	1.3
69.60526	1.5
69.60931	0.8
76.77380	0.4
79.05491	1.0
81.03413	1.1
85.02907	4.0
95.04945	0.7
97.02895	1.4
101.32597	0.4
103.03945	0.7
106.80614	0.4
107.04950	100.0
108.05293	2.5
109.02874	0.8
121.02859	0.8
121.06502	0.8
123.04401	0.8
127.03902	0.9
131.04933	1.2
138.08820	0.4
139.03905	1.8
145.06519	0.7
147.04419	1.7
149.02361	0.4
149.05962	2.0
151.03893	4.2
159.04404	0.4
161.05972	0.5
163.03871	2.1
165.05481	1.0
169.04993	1.3
169.09412	0.4
173.05965	1.5
175.03874	1.0
177.05478	0.7
181.04936	3.7
187.04001	0.8
189.05466	0.8
193.04968	8.4
201.05518	0.4
203.03413	0.4
205.04964	2.7
207.06435	2.3
211.06018	4.3
215.06970	0.4
217.04979	1.6
219.06488	0.7
223.06085	0.6
229.04953	1.1
231.06537	1.0
233.04495	0.4
235.06018	5.7
236.06451	0.4
241.04929	1.3
247.06003	3.2
249.11263	1.0
259.05997	3.1
275.09119	3.0
277.07019	1.8
287.09109	4.7
295.08228	0.5
299.09073	5.2
301.06900	0.6
311.09329	0.4
317.10187	10.9
318.10501	0.5
323.09351	0.4
325.06949	0.4
329.10287	0.6
335.09256	0.9
341.10175	12.1
342.10538	0.7
347.09451	0.5
353.10202	8.6
365.10178	3.8
371.11203	1.5
383.11206	6.3
384.11655	0.8
395.11249	1.2
401.12436	3.5
407.11032	1.1
413.12241	0.6
419.13525	3.7
425.12106	0.7
431.12976	1.4
437.14636	0.7
449.12250	0.9
461.12445	0.6
467.13257	0.5
475.92288	0.4
485.14288	0.6
497.14044	0.9
509.14560	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1972
Annotation	Catechin 3-O-rutinoside
Peak:m/z	Relative Intensity
50.54447	0.8
52.52295	0.9
53.03941	1.5
54.17464	0.9
55.01873	1.8
57.03441	5.9
59.68639	0.8
61.02924	1.1
65.03962	1.1
67.05502	1.1
68.99799	2.5
69.03432	7.8
69.39748	5.8
71.04995	31.3
71.35130	0.9
73.02930	1.5
75.04490	1.6
81.03431	1.4
83.04996	3.3
85.02909	40.8
86.03246	0.9
87.04498	1.2
91.05517	1.1
93.03411	2.0
95.04988	3.0
97.02905	2.5
107.04969	2.9
109.02917	1.4
111.04421	6.6
113.45679	0.9
119.04942	5.4
121.06573	0.9
123.04433	72.8
124.04793	1.1
127.03916	2.2
129.05490	9.4
135.04410	9.0
135.87662	1.0
137.06001	1.5
139.03902	100.0
139.85277	1.0
140.04276	2.8
143.04948	1.4
147.04413	24.0
147.06544	2.7
147.36505	0.8
149.05980	2.2
151.03897	9.2
153.05473	1.2
161.06026	4.1
163.03914	33.1
165.05486	17.2
166.05847	0.8
169.05011	1.6
175.03943	3.4
175.07585	1.2
176.04694	1.0
177.05473	6.8
179.06984	1.2
181.04956	16.7
187.03990	1.7
189.05493	5.0
193.05020	4.6
201.05466	1.1
203.06973	2.3
205.04965	17.4
207.06560	3.5
217.04974	2.1
229.05125	1.3
231.06503	9.4
235.06120	1.7
243.06442	1.8
247.05872	1.9
249.07600	10.0
261.07666	2.1
267.08640	11.4
273.07663	2.7
283.08255	2.5
285.09717	15.9
291.08600	25.3
292.09210	0.9
301.09296	4.9
303.08569	1.7
304.05377	1.0
305.05676	1.5
315.08627	8.0
327.08353	1.1
333.09723	4.3
345.09888	1.3
357.09741	6.1
363.10767	1.0
383.11273	4.5
393.11633	2.2
401.12350	3.3
411.12769	1.6
419.13388	2.8
437.14252	1.9
453.13602	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01868	1.0
64.43294	0.5
66.34418	0.5
69.26080	3.2
79.05484	1.5
81.03425	1.1
85.02920	3.1
93.03394	0.6
95.04967	1.5
97.02889	1.0
98.22668	1.0
105.04517	0.6
107.04957	100.0
108.05278	2.6
109.02877	0.9
110.01437	0.5
115.24868	0.5
121.02866	0.9
121.06519	0.9
123.04425	1.0
128.06232	0.5
131.04941	1.5
135.04431	1.1
137.02426	0.5
137.06032	0.7
145.06494	0.6
147.04384	1.4
149.05983	1.1
151.03902	1.5
159.04453	0.9
159.07968	0.6
161.02425	0.6
161.06091	0.7
163.03932	1.8
171.04361	0.8
173.05972	1.6
175.03938	2.5
177.05490	1.5
181.04970	1.9
183.88078	0.5
185.05992	0.6
187.03938	2.2
189.05467	1.2
191.03372	1.0
193.04988	3.0
197.06050	0.7
198.83742	0.4
199.03944	0.6
201.05487	1.9
203.03366	0.6
203.06956	0.7
205.05006	5.5
207.06628	0.7
209.05934	0.5
213.05490	1.2
217.04984	4.6
219.02962	1.1
219.06570	2.4
221.04385	0.7
222.67108	0.5
223.06000	1.7
227.07108	1.0
229.04959	2.4
231.06502	1.8
233.04430	0.6
235.05981	3.0
237.05531	0.6
239.06963	0.5
241.04974	1.5
243.06512	1.9
245.04431	0.9
247.06003	5.2
249.11255	2.5
253.04926	1.0
255.06468	0.7
259.06003	7.1
267.06543	0.7
271.05997	3.1
273.07590	1.5
277.07169	1.8
279.06592	0.8
283.06128	1.2
285.07639	1.7
287.05365	0.7
287.09106	0.8
289.07028	2.0
295.06055	0.7
297.07590	0.9
299.09167	1.0
301.06934	3.4
311.09149	1.6
313.06989	2.1
317.10229	1.2
319.09409	0.6
323.09140	0.7
325.07114	1.7
327.08679	1.1
329.10110	3.5
337.07013	0.6
341.10220	3.9
343.07956	1.2
353.10321	6.0
355.08432	0.6
365.10147	4.2
373.09927	0.5
377.10080	0.8
383.11319	5.6
389.10248	1.0
393.09531	0.6
395.11221	7.6
396.11377	0.6
403.17557	1.2
407.11240	7.9
408.11414	0.5
413.12378	2.7
419.11163	6.0
425.12369	3.0
429.11795	0.6
431.13495	9.9
432.13449	0.8
437.20947	0.6
443.13492	3.2
449.12387	5.4
450.13220	0.5
461.12784	4.0
467.13281	2.8
473.12103	1.6
479.13324	3.1
485.14243	1.8
491.13455	1.7
497.14218	4.0
509.14352	2.3
509.56058	0.6
527.15607	1.2
545.16400	0.9
599.18372	0.7
599.26825	10.4
600.26886	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07484	1.0
69.07883	2.7
98.23340	0.9
116.92150	0.4
124.98249	0.4
127.11460	0.4
137.06026	0.4
153.22897	0.4
175.11201	0.4
197.09447	0.4
229.08530	0.8
231.10100	0.5
243.10040	0.5
247.09322	0.5
259.09430	0.6
269.15143	6.2
270.15771	0.4
289.10541	3.7
292.33905	0.4
305.10071	1.0
306.11002	0.6
317.10010	1.1
327.15866	0.6
329.13721	0.5
331.15298	0.6
341.13727	1.6
359.14664	2.2
375.14456	0.5
375.71350	0.5
379.10083	0.9
387.14111	0.5
433.14804	2.3
448.55762	0.5
507.19641	0.6
509.18066	0.8
525.21094	4.6
553.20624	1.4
571.21484	0.7
599.20880	100.0
600.21338	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22334	3.4
53.09977	3.4
55.05512	85.0
57.07076	5.1
68.14639	3.2
69.21179	20.4
83.04980	100.0
99.04449	20.4
119.49045	3.0
127.03915	11.5
132.05713	8.7
138.90735	3.3
147.08037	4.9
170.09119	3.2
179.10704	4.7
207.08226	4.8
207.10117	23.0
211.07607	3.9
236.08282	3.5
239.06924	4.2
249.05481	4.3
249.09200	4.1
250.06096	4.4
251.03418	8.8
251.07031	3.8
253.04977	4.9
263.07233	5.4
264.03845	4.0
264.07809	3.8
265.05148	6.3
265.08478	10.6
266.05823	6.9
267.06293	4.3
277.10745	4.1
278.05835	3.2
279.06552	8.7
280.07336	9.6
282.05173	6.5
291.06534	4.4
292.07248	6.1
293.04581	4.6
293.08090	11.3
294.05197	9.2
294.08401	7.5
295.06161	4.6
295.09711	10.4
296.06891	5.8
297.07590	41.7
297.10742	5.5
298.08112	4.5
299.09052	3.6
306.08694	3.8
307.06107	6.5
307.09595	5.7
308.06790	7.3
309.07541	7.5
309.10898	4.5
311.05646	7.1
311.08972	7.2
313.07166	19.1
322.08292	8.1
323.09146	51.4
324.09732	10.8
325.07056	12.2
325.10733	7.0
326.07831	20.3
327.08698	5.0
328.09479	9.1
329.10123	5.8
334.08441	3.4
337.10712	6.7
338.11209	4.3
339.08627	4.9
339.12369	5.7
340.09445	11.2
341.10373	6.3
350.07770	4.9
352.09576	5.0
353.10046	16.7
355.11771	34.8
357.09628	17.1
364.09262	4.7
365.10251	7.5
366.11105	7.7
367.11636	15.9
369.13266	12.5
379.11728	15.4
397.12787	30.0
410.13626	9.0
440.14600	6.0
455.17081	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
54.53233	1.9
55.05514	83.8
57.07063	5.4
67.05511	3.3
69.03417	3.5
71.32728	3.1
75.04471	2.0
80.49747	2.5
81.07053	3.2
83.04984	100.0
84.05311	3.3
91.05488	7.5
93.07083	4.0
99.04444	28.1
107.08604	4.2
109.10202	2.3
115.05431	3.2
119.04960	5.1
119.08581	5.0
121.06462	3.4
121.10184	3.7
127.03902	15.0
128.66435	2.2
132.05714	8.9
134.86833	2.2
143.08588	3.9
145.10155	2.8
147.08032	6.8
147.55620	2.4
155.08542	3.1
161.57047	2.4
165.09149	6.4
179.10712	3.6
185.05969	2.7
193.08405	2.8
195.08089	2.9
203.14415	3.0
207.10167	24.3
209.06078	2.6
211.11162	2.4
216.34999	2.7
221.15410	14.6
222.06708	3.7
225.05446	6.0
233.05965	2.3
235.07631	4.1
237.05534	3.2
237.09065	5.5
239.03355	2.9
239.07123	4.7
241.05070	3.2
247.07397	2.8
251.03461	10.8
251.07042	6.2
252.04095	5.4
253.04993	3.7
255.06386	2.7
262.06235	2.5
263.07108	6.2
264.07626	2.6
265.04907	7.5
265.08582	6.8
266.05783	11.7
267.06549	5.2
268.07306	3.0
269.04074	2.5
279.06497	8.2
280.07260	8.8
281.04684	4.6
281.08188	6.8
282.05316	6.2
283.05927	4.0
285.07455	3.2
287.09125	3.2
291.06543	5.7
292.07245	6.3
293.04669	4.4
293.08020	10.3
294.05222	7.7
294.08798	6.6
295.05975	6.7
295.09631	11.4
296.06818	2.9
297.07547	42.7
298.08170	3.5
299.05408	3.4
305.08118	6.5
307.06006	5.1
307.09711	6.6
308.06885	12.3
309.07538	10.6
309.10901	5.7
310.04724	3.1
310.08249	2.9
311.05508	9.8
311.08704	2.6
312.09409	2.6
313.06943	15.6
313.10373	3.0
314.07874	4.8
315.08319	3.1
321.07718	4.7
322.08267	6.8
323.09146	50.0
324.09796	15.1
325.07053	11.7
325.10629	5.4
326.07870	16.7
327.08609	5.9
327.12201	3.8
328.09552	11.6
329.10046	9.2
333.07651	5.2
335.09351	4.6
337.06970	5.1
337.10611	12.6
338.11398	5.1
339.08545	6.9
339.12262	4.7
340.09293	12.7
342.07642	2.9
349.06949	4.5
352.09207	5.6
353.10233	20.2
355.11835	36.8
356.12659	3.0
357.09467	19.7
364.09399	5.0
365.10052	11.0
366.10901	8.0
367.11716	26.1
368.11981	2.8
369.13403	12.0
379.11761	19.0
382.10022	3.4
397.12778	23.6
410.13416	9.9
440.14597	5.7
455.16861	4.2
599.11682	17.3
599.41254	3.7
624.29266	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.25
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
55.05508	3.4
57.07077	2.7
64.54450	1.7
67.05502	4.0
69.07066	3.3
71.08614	2.0
79.05492	5.1
81.07053	8.4
89.06042	6.8
91.05490	3.3
92.04043	1.8
92.49326	1.7
93.07036	4.9
95.08611	6.3
98.23374	3.3
105.07030	4.1
107.08565	4.6
109.10181	2.4
119.08592	2.1
121.10136	4.7
133.08617	3.3
133.10115	3.4
135.11713	2.4
135.78645	2.0
141.74188	2.3
145.10069	2.8
151.22919	1.9
172.14291	2.0
177.11307	2.3
201.42305	1.8
221.15479	3.7
222.11433	2.6
223.12437	2.3
251.15518	2.2
257.11465	2.5
261.13876	2.3
337.15738	1.8
339.16122	3.5
352.17734	2.0
353.17590	6.4
354.18484	7.2
358.18854	2.1
364.16922	3.9
365.17810	4.2
366.18893	2.3
367.19305	2.5
369.20596	22.7
377.17474	4.1
379.19305	9.4
381.16891	2.6
382.17630	2.4
395.14569	45.8
396.15152	3.2
397.15747	2.6
397.20401	9.6
405.20837	3.0
409.20425	2.1
419.18597	2.6
423.22162	2.5
425.19662	26.6
426.20297	2.1
437.19977	3.7
441.23148	3.0
444.23312	2.6
444.68622	2.2
451.21420	14.7
452.21625	4.8
454.20111	2.8
455.24631	4.3
456.25281	6.2
461.20227	2.6
462.20648	4.0
467.24512	4.3
469.22446	2.4
483.23593	4.3
484.24658	8.6
496.47864	2.2
511.23328	6.3
512.24213	59.0
513.24548	7.3
521.22015	4.1
539.22876	56.4
540.23206	10.7
582.22223	3.5
598.62555	2.5
599.24951	100.0
599.40491	4.4
599.50110	2.9
600.25317	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13593	2.4
56.86850	2.1
57.00480	2.6
65.67136	2.5
69.03432	27.4
75.28834	2.7
83.04969	2.6
87.04430	2.5
91.05483	9.3
93.07059	8.8
95.04960	3.8
95.08622	5.3
98.23466	4.1
105.07046	4.2
107.08604	4.1
109.06570	3.8
111.08109	3.0
117.07004	4.9
119.08591	3.7
121.06507	6.4
123.04430	3.2
123.08091	7.6
129.06982	3.2
131.04927	3.9
131.08575	4.8
133.06509	5.2
135.08061	11.0
137.05991	4.2
139.07556	27.4
143.08562	4.5
147.08052	4.6
149.05963	3.3
149.09624	11.1
151.03900	3.2
151.07556	3.0
153.05505	4.0
153.06897	3.4
155.08563	7.2
157.10100	4.4
159.08043	7.1
161.06065	4.0
161.09679	4.7
163.07635	3.0
169.10161	4.6
171.11635	3.1
173.09558	3.4
175.11224	3.1
181.10156	4.4
183.08018	2.9
183.11812	2.8
187.11150	4.2
195.10126	20.8
196.10544	3.8
197.09630	6.3
199.11171	5.5
203.10683	3.5
204.36017	2.8
206.85141	3.2
207.10135	6.7
218.72835	3.4
221.11722	6.5
223.11299	3.4
274.97971	2.9
275.12759	3.0
402.19879	6.5
436.12546	3.4
453.22882	5.7
483.23898	4.1
487.22607	2.9
499.23248	6.8
509.21719	8.0
517.24561	4.5
527.22772	37.8
528.23193	13.7
545.23840	100.0
546.24139	35.7
563.25067	14.2
564.25299	19.7
599.20691	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.1
57.03442	0.7
57.07085	0.3
59.05007	0.7
60.90772	0.3
67.05500	2.6
69.03424	0.4
69.07081	0.7
71.04992	1.1
71.30820	0.4
79.05483	2.3
81.03407	1.6
81.07059	2.5
83.04992	1.1
83.08611	0.7
85.02904	0.4
87.04490	0.4
91.05479	2.4
93.07059	1.6
93.18633	0.3
95.04984	0.9
95.08624	1.3
97.06562	0.6
105.07033	2.0
107.04961	0.4
107.08602	1.8
109.06537	0.3
109.09444	0.3
109.10181	0.9
117.07027	0.3
119.08610	1.3
120.90438	0.3
121.10148	2.3
123.08090	0.5
123.11685	0.3
129.07024	0.9
131.08562	1.4
133.10155	0.9
142.07806	0.3
143.08524	0.3
145.10172	0.3
147.08076	0.3
147.11743	1.1
149.09587	1.6
153.07124	0.3
157.10188	1.0
169.10110	0.3
175.11281	0.9
193.12329	0.9
197.15410	0.5
211.13185	0.3
221.15334	0.3
225.14838	0.4
233.11606	1.0
265.14136	0.6
267.15942	1.2
283.15164	15.0
283.18317	0.7
284.15482	0.6
315.04968	0.8
339.17740	9.1
340.18106	0.4
343.15762	0.4
343.71329	0.3
421.20303	0.3
488.61188	0.3
599.34039	100.0
600.34448	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.9
55.05506	7.8
55.59340	0.6
57.07071	6.1
59.04973	2.1
65.03935	0.9
67.05502	7.1
69.03422	6.5
69.07063	3.4
71.31401	0.6
72.05237	0.6
79.05493	8.1
80.04990	2.1
81.07056	14.0
83.04968	7.5
83.08587	1.4
85.06539	3.4
90.66576	0.7
91.04975	1.1
91.05482	14.7
93.06477	1.1
93.07037	20.5
94.07357	0.7
95.04979	5.1
95.08604	12.4
97.06480	2.8
99.04428	1.3
103.05412	1.3
105.02159	0.7
105.07026	23.0
107.04923	0.9
107.07857	0.8
107.08585	11.9
109.06516	5.0
109.10151	4.8
111.08041	1.4
113.05950	1.0
115.05424	1.1
117.07011	4.7
119.04903	0.8
119.08578	26.5
120.08904	0.7
120.85911	0.6
121.06539	4.2
121.10141	11.2
123.08069	12.2
123.11653	1.1
125.05951	2.2
128.06158	2.2
129.06987	3.8
130.07761	1.3
131.07692	0.9
131.08559	9.4
133.06450	2.2
133.10126	10.8
135.07086	1.0
135.08046	10.8
135.11638	2.9
137.06041	0.9
137.09619	12.8
139.07494	2.6
141.06934	2.6
142.07773	6.0
143.08549	12.0
144.09273	2.0
145.10117	16.5
147.06897	1.4
147.08040	25.0
147.11676	3.8
149.09608	4.4
151.07558	10.5
153.06996	1.6
153.09021	1.1
155.08545	5.9
156.09360	4.1
157.10127	15.5
158.07260	1.0
158.10675	1.0
159.08029	3.1
159.11684	10.1
161.09599	6.7
161.13245	4.6
163.11180	7.1
165.09114	47.7
166.07849	0.8
166.09430	1.4
167.08533	1.7
167.10683	1.4
168.09314	2.0
169.10127	6.5
170.10876	3.5
171.08072	0.7
171.11682	8.9
173.09566	2.7
173.13203	3.5
174.10381	1.4
175.11147	2.5
175.14836	1.2
175.44675	0.7
175.79475	0.7
177.09062	1.9
177.12712	1.2
179.08456	1.7
179.10674	1.0
181.10072	4.6
181.12204	6.7
182.10873	1.7
183.11670	11.5
184.12344	1.3
185.09662	1.6
185.13210	6.0
186.10220	0.8
187.11147	2.9
187.14777	1.9
188.11935	0.8
189.12743	4.5
191.10637	3.1
191.14285	1.8
192.09294	0.8
193.10104	2.3
193.11955	0.7
195.11647	4.4
195.13503	1.2
196.12520	1.9
197.09651	1.4
197.13228	4.1
198.10403	0.8
199.11150	2.5
199.14806	2.3
201.12773	1.7
203.14322	16.8
205.10204	0.8
206.10892	1.7
207.11684	2.8
207.13794	5.7
208.12376	1.1
209.13277	4.3
209.15096	0.9
210.10489	0.8
210.13884	1.1
211.11098	2.0
211.14830	5.7
212.11902	0.8
213.11029	1.0
213.12752	2.0
215.14342	1.5
219.11746	1.2
219.13678	0.7
220.12631	0.9
221.15350	100.0
222.13872	1.1
222.15724	3.8
223.14815	1.7
225.12732	2.2
225.16322	1.8
227.14224	1.3
229.12137	0.8
229.15971	1.5
231.13847	1.2
233.13193	1.8
233.15417	2.9
234.13853	0.8
235.14789	1.6
237.12709	0.9
237.16353	1.8
239.14272	1.0
239.18024	1.4
247.14847	1.2
247.16942	16.9
248.17311	0.9
249.16368	1.4
251.17992	1.0
263.17950	1.7
265.15762	0.8
267.06522	5.0
267.09137	1.1
271.16989	1.0
273.16302	0.8
281.08209	0.9
281.19144	1.0
285.18823	1.4
286.19104	1.0
287.20004	7.8
288.20331	0.8
297.07510	1.9
298.07977	0.8
299.20062	4.7
301.21634	2.0
303.20026	1.4
309.11472	0.7
311.19958	1.9
313.21735	1.4
324.09689	0.9
325.21561	1.6
327.23346	2.0
329.10211	4.2
365.24643	3.5
391.26364	9.3
399.13348	1.1
413.26965	1.1
419.29410	3.6
427.28403	6.5
428.29092	1.1
453.29700	1.3
507.34726	7.1
519.34607	2.9
581.39697	2.3
599.40900	50.3
600.40991	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.6
51.96936	1.1
53.03945	3.5
53.47080	1.2
55.01870	1.9
55.05514	15.8
57.07073	8.8
59.05002	4.4
65.03947	4.2
67.05505	21.3
69.03433	12.4
69.07063	11.0
70.57959	2.7
77.03940	1.6
79.05492	22.3
81.07052	22.1
81.07454	1.7
83.04973	18.9
83.08624	8.2
85.06548	8.3
87.04472	2.8
91.05476	33.5
92.35764	1.2
93.07046	37.9
93.07625	2.2
95.04969	17.7
95.08610	17.6
97.06536	7.6
98.23426	1.2
103.05447	2.6
105.07030	56.4
107.04933	1.9
107.08590	39.9
107.09272	2.6
108.08891	1.6
109.06508	13.5
109.10152	13.8
111.08097	4.4
113.06008	3.1
115.03497	1.1
115.05482	5.6
116.06231	1.8
117.07019	12.9
119.08580	47.9
121.06515	13.1
121.10139	40.4
121.11013	1.9
123.08060	17.4
123.11711	5.0
125.06009	4.6
125.09634	8.4
128.06195	8.9
128.41656	1.3
129.07002	14.1
130.07808	6.1
131.08560	28.4
131.09479	1.9
133.06535	4.6
133.07587	1.2
133.10123	29.7
134.10521	1.5
135.08054	18.3
135.11662	8.8
137.05984	1.9
137.09644	10.9
139.07561	3.9
139.11198	2.2
141.06973	6.5
142.07777	15.7
143.08565	30.1
144.09341	8.8
145.06474	2.7
145.10126	37.7
145.11258	2.1
147.08058	21.6
147.11685	8.6
149.09607	14.9
149.13289	2.5
151.07529	15.5
151.11275	2.4
153.07033	4.2
153.09131	1.9
154.07748	1.4
155.08566	13.5
156.09338	14.5
157.10124	39.0
158.07320	1.4
158.10909	4.8
159.08058	14.4
159.11687	22.0
159.12798	1.8
160.08855	2.6
161.09628	14.3
161.13260	5.9
163.11191	8.7
165.06984	4.0
165.09109	28.7
165.10435	1.7
166.07811	2.4
167.08609	7.6
167.10686	17.2
168.09387	6.7
169.10121	21.6
170.10892	6.6
171.08109	2.6
171.11674	19.4
172.12315	1.4
173.09586	6.1
173.13237	10.6
174.10365	1.3
175.11206	9.3
175.14868	3.8
177.09184	3.5
179.08554	9.2
179.10504	1.4
180.09390	5.1
181.10127	12.6
181.12257	5.5
182.10901	8.0
183.08191	1.5
183.11685	19.3
184.12425	2.5
185.09647	4.6
185.13229	11.4
186.14143	1.5
187.11118	7.0
187.14780	3.0
188.12022	1.5
189.12762	10.7
190.13425	2.2
191.14374	5.7
192.09348	4.0
193.10168	9.1
193.12138	2.7
194.10916	5.5
195.11687	16.2
196.12497	4.9
197.09644	2.9
197.11562	2.4
197.13257	17.7
198.13951	1.4
199.11168	6.9
199.14899	5.0
200.11974	2.3
201.12784	4.2
203.10765	1.7
203.14284	13.0
205.10149	1.9
206.10991	4.1
207.11757	13.2
207.13866	13.4
208.12476	5.3
209.13289	14.4
209.15385	5.0
210.10545	2.3
210.14088	3.0
211.11206	5.3
211.14804	7.5
212.12074	1.4
213.11194	3.3
213.12866	3.6
213.16121	1.5
215.14412	3.2
217.10144	1.7
217.15994	2.5
218.10968	2.8
219.11749	4.8
219.13728	1.4
220.12476	3.6
221.13287	11.4
221.15425	49.5
222.13885	2.1
222.15802	2.2
223.11227	2.0
223.14798	8.0
225.12749	6.1
225.16403	3.7
227.14343	3.4
229.12291	2.5
231.11794	2.9
231.13980	2.0
232.12515	2.7
233.13252	5.6
233.15331	40.2
234.13863	2.0
235.14886	5.5
236.15572	1.5
237.12674	2.7
237.16524	4.6
239.07217	1.6
239.14339	3.2
244.12482	2.3
245.13281	3.4
246.14020	2.6
247.14787	4.5
247.17090	3.4
248.15620	1.5
249.16364	5.0
251.14340	1.4
251.17836	1.9
253.15749	2.4
255.17535	1.7
257.13223	1.9
257.37909	1.3
259.14844	3.4
259.17047	3.0
260.15454	1.4
261.16409	2.1
263.18042	4.7
265.15939	1.9
267.06488	12.0
268.06802	1.5
269.08057	1.5
269.18869	2.9
271.17188	1.9
273.16135	2.2
273.18805	2.5
275.17944	2.3
279.17517	1.6
281.19019	12.5
285.18613	2.7
286.19305	5.0
287.20160	4.1
289.19608	2.2
291.17313	1.9
297.07663	6.9
299.09109	2.3
299.20148	4.2
307.20612	1.5
311.20059	2.5
312.21042	1.7
329.10223	13.3
330.10657	2.9
333.22256	1.6
341.22662	1.7
349.21814	1.9
357.13043	1.9
358.13596	1.5
359.23822	1.9
364.24017	3.5
365.24686	3.8
373.25385	3.5
377.24719	3.6
391.26318	4.5
413.15854	2.4
415.28101	1.5
441.30124	2.6
449.30585	1.4
489.33612	4.2
493.33176	4.5
507.34689	87.2
508.35150	8.7
517.94324	1.2
581.39545	5.9
599.40924	100.0
600.41351	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
53.61061	0.6
54.04042	0.6
54.43230	0.6
55.01858	1.8
61.02924	0.9
64.07553	0.7
64.87267	0.6
65.03932	1.9
68.55289	0.6
69.03418	1.9
79.05515	4.3
81.03438	0.7
81.07046	0.6
85.02905	9.1
89.03914	2.1
91.05476	9.0
93.03403	1.6
93.07043	1.9
95.04961	2.7
97.02900	1.8
103.05464	8.2
105.07043	1.4
105.86558	0.6
107.04948	10.8
109.06506	4.2
111.04430	1.3
115.05438	1.4
117.03387	2.6
117.27969	0.7
119.04939	13.1
121.02836	1.8
121.06509	10.9
123.04424	2.6
125.05965	2.6
131.04929	16.0
132.05240	1.2
133.02835	4.0
133.06476	2.0
134.03633	2.4
135.04408	5.9
137.05978	12.7
139.03960	1.0
140.04694	2.5
145.02837	2.7
145.05038	1.2
145.06465	1.6
147.04405	78.5
148.04742	3.1
149.05975	17.2
150.06258	0.8
153.05446	1.5
155.07048	2.2
159.04405	11.2
159.08083	0.7
160.05174	1.2
161.05949	2.5
162.03229	0.9
162.07619	0.9
163.03947	3.6
165.05470	5.0
166.05803	0.9
167.07031	9.3
169.88870	0.8
173.05952	1.8
175.07492	1.4
176.04675	0.9
177.05466	100.0
178.05772	3.2
179.07022	24.3
180.08772	1.3
183.06500	2.3
189.05453	3.4
191.07030	2.5
193.04990	5.1
193.08569	1.9
195.06535	3.6
197.08099	3.0
201.05469	1.1
203.06985	1.2
205.04880	0.9
205.08623	1.4
207.06519	2.5
209.08081	68.8
210.08456	2.6
217.05106	0.7
219.06456	1.1
221.08000	4.6
225.07524	5.1
231.06564	1.3
233.08102	2.5
237.07587	2.0
249.07533	1.5
249.11243	1.3
262.06094	0.9
264.07809	0.7
279.08484	3.3
283.09418	1.1
293.08102	1.0
295.09772	1.5
295.13440	0.6
297.09598	2.7
307.09662	2.4
311.09186	0.8
315.12247	1.7
325.10690	0.7
326.11337	1.0
327.12323	1.0
330.85388	0.6
339.12265	1.7
355.11646	1.9
367.11676	1.5
385.12735	2.7
403.13684	1.6
504.86978	0.9
600.20398	1.3
601.22479	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
57.03441	0.9
58.95723	0.5
59.05003	6.1
60.33302	0.6
61.02920	1.0
65.71024	0.9
69.03426	4.9
69.96363	2.1
73.02921	0.9
81.03418	2.1
85.02419	1.0
85.02904	11.4
91.05460	0.7
97.02881	3.5
105.07019	0.8
107.04924	0.9
109.02859	0.9
109.06533	0.7
127.03915	1.4
131.34564	0.6
133.06491	1.1
137.05983	2.2
145.04977	1.7
153.05449	0.8
159.08105	0.7
161.05960	2.5
163.07532	1.0
165.05528	0.9
165.07005	0.6
167.07062	2.5
177.05478	0.7
182.07259	0.7
191.06976	1.2
192.07837	1.5
193.08578	3.1
195.08032	1.6
197.09746	0.9
199.07509	0.7
209.09833	0.8
210.06766	2.4
211.07445	1.7
221.06035	1.6
222.06691	1.7
223.07524	0.9
224.08371	0.8
225.05571	0.9
225.09169	3.8
226.06331	0.8
227.07007	2.3
228.07767	0.8
237.05426	1.5
238.06239	4.9
239.07028	1.8
240.07730	1.1
241.08621	1.2
242.09526	0.9
250.10039	1.0
251.07034	2.2
252.07799	2.2
253.08600	12.4
254.05852	0.8
254.09305	2.7
255.06528	2.5
255.10074	0.9
256.07339	2.7
257.08041	1.0
263.07172	0.9
265.08545	1.7
266.05817	2.8
266.09213	1.3
267.06506	3.7
267.10217	1.3
269.08231	1.2
269.11664	1.9
270.08920	3.1
271.06152	0.8
271.09695	1.8
272.06818	0.7
272.10123	0.9
273.07855	1.3
277.08728	1.0
278.09326	0.9
279.10037	1.0
280.07318	0.9
281.08084	18.6
282.08795	6.8
283.06003	1.8
283.09564	2.3
284.06818	1.0
285.07837	1.3
285.11203	3.6
287.05502	1.3
287.08936	1.1
288.09921	1.1
293.11804	1.4
295.09616	2.5
296.10336	0.8
297.08060	1.5
297.11227	3.6
298.08365	3.4
299.09039	2.2
300.10159	0.9
301.06970	1.2
301.10855	1.7
302.07837	2.7
304.09497	2.0
311.12924	1.3
313.10709	14.9
314.11304	4.1
315.08737	1.3
317.10181	12.7
317.13678	1.2
318.10367	0.9
321.11374	2.4
322.11636	0.7
325.14267	1.4
327.12137	0.9
329.10419	1.0
329.13803	3.8
330.10999	4.7
330.14426	1.2
331.11734	3.6
338.11380	1.3
339.12186	4.4
340.12863	1.2
345.13324	37.2
346.13846	2.9
353.13831	2.3
371.14899	6.2
385.16583	5.3
388.15347	1.0
403.17502	100.0
404.17868	10.1
565.22375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	14.1
67.05499	14.2
69.03430	91.6
69.07091	5.2
69.10499	10.9
69.10918	22.1
73.06557	4.8
76.02216	12.8
79.05496	7.2
81.03420	6.1
81.07076	12.7
83.05021	4.8
87.04468	6.0
91.05485	9.4
93.07056	22.0
95.04968	6.3
95.08611	21.3
97.06536	8.5
98.23412	6.2
105.07040	12.1
106.57023	3.6
107.04974	5.5
107.08607	11.1
109.06505	6.7
109.10150	4.7
111.08131	9.9
115.03938	4.5
116.01662	3.5
117.07049	5.3
119.08611	10.1
121.06506	7.9
121.10155	11.0
123.08047	8.6
125.06010	4.8
128.52753	3.6
129.07008	5.3
131.05029	4.1
131.08578	14.5
133.06514	8.5
133.10158	6.3
135.08087	8.6
137.06006	7.1
139.07544	100.0
143.08606	9.6
145.06453	9.3
145.10133	10.1
147.08029	10.7
147.11700	5.4
149.05928	4.4
149.09612	6.2
153.06967	4.1
154.07841	3.3
155.07098	3.5
155.08571	9.8
157.06462	4.9
157.10194	6.1
159.08105	7.4
159.11835	4.5
161.05893	4.0
161.09680	6.1
162.02222	8.1
163.07565	6.9
165.06915	5.2
165.09151	3.9
166.07739	3.9
166.56885	3.6
169.10184	6.6
171.08076	8.4
171.11717	5.5
173.06035	5.3
173.09641	3.9
175.07646	5.0
177.09163	5.2
178.07816	4.0
179.04836	17.9
179.08478	3.7
181.08620	5.4
181.10092	5.7
183.08051	10.3
184.07384	4.3
185.09721	4.8
187.07542	6.7
189.09081	4.6
191.06996	5.4
193.10185	6.5
195.08063	5.4
197.09689	6.8
199.07567	4.0
203.03493	3.3
205.10091	4.4
207.11726	6.8
209.09698	5.8
218.10762	3.2
219.11636	3.7
221.09615	4.9
221.13226	6.1
223.07475	3.7
223.11198	4.9
225.09325	4.8
227.04439	3.5
227.06856	4.3
227.10565	5.0
232.08780	5.8
235.11247	6.1
237.12756	6.8
241.12315	4.3
247.11252	5.2
249.09209	5.1
249.12840	5.3
251.14207	4.4
261.12775	5.9
263.10614	6.3
263.14325	4.5
265.12372	4.7
275.20065	5.4
279.13724	10.5
281.11572	5.2
289.12390	4.2
293.11658	4.5
293.21323	3.8
307.13187	12.9
307.16840	3.8
315.13623	4.6
335.12451	4.6
353.13846	4.2
371.15045	7.8
373.17902	5.3
375.23172	16.2
377.17395	4.4
389.17114	4.1
391.19003	6.0
399.14343	4.2
401.17609	6.1
407.17844	7.7
409.20551	4.7
419.18533	20.5
425.19595	4.8
429.17453	5.7
437.19711	26.3
447.17990	10.3
455.20718	39.6
461.26630	11.0
465.19189	32.0
471.20367	8.2
473.21777	25.3
479.27835	7.8
483.20212	59.9
484.20645	8.0
489.21027	4.1
501.21194	63.3
502.21411	8.4
509.24048	4.2
511.19418	5.2
519.22211	39.1
520.22601	5.4
529.20886	10.5
537.23444	29.1
547.21606	5.1
555.24310	30.1
600.29596	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
55.61787	0.3
69.03419	1.0
71.29945	0.6
81.03384	0.5
83.05037	0.3
85.02915	2.8
91.05489	2.0
91.55920	0.4
97.02863	1.1
97.06532	0.6
105.07023	0.9
107.04955	10.5
108.05285	3.0
115.03877	0.6
115.05449	1.4
116.06231	0.7
117.07020	1.0
117.43867	0.4
123.04396	0.5
127.03898	0.7
128.06268	1.7
129.07014	5.0
129.47079	0.3
131.04912	0.5
131.08571	6.5
133.06491	1.1
137.05959	1.1
141.07025	2.2
142.07733	0.6
143.08589	1.2
144.05690	1.9
145.04956	0.4
145.06511	1.2
146.07231	1.0
147.04362	0.8
153.06996	0.7
155.06079	0.4
156.05667	0.6
157.06480	2.7
158.07208	0.7
159.08052	12.3
161.05945	0.9
161.09648	2.5
162.07573	0.6
167.07033	2.6
169.06364	0.4
169.07600	1.2
170.07254	2.5
171.08055	2.6
172.05180	0.6
173.05965	1.5
174.06763	0.9
175.07556	1.4
177.05499	0.4
178.06282	0.4
178.94672	0.4
180.08749	0.7
181.08595	0.4
187.07536	8.4
189.05486	0.8
189.09145	3.6
190.06046	0.4
191.06979	0.6
193.08583	0.7
198.06778	0.5
199.07532	1.2
203.07094	2.0
204.07796	5.0
205.08464	0.9
206.09441	0.6
216.07774	1.2
218.09334	0.5
219.10202	2.5
221.08081	0.5
221.11662	1.1
228.07077	0.4
231.10204	4.1
233.11652	0.6
234.08807	0.5
237.11134	0.8
240.07689	0.4
249.11212	100.0
250.11595	5.0
250.14209	0.7
267.12225	1.0
269.08026	0.4
277.08484	0.5
281.08121	0.4
287.08936	0.4
293.11581	0.7
295.09692	0.4
298.08368	0.4
300.09955	0.7
301.10645	0.9
302.07434	0.8
307.09781	0.6
315.12207	0.4
317.10269	0.7
318.71835	0.4
321.11337	0.8
325.14243	0.5
331.11716	0.4
339.12271	0.6
342.10538	0.4
343.11896	0.7
353.13773	1.2
354.14542	0.6
359.14792	0.7
361.12857	0.4
371.14960	0.9
384.11340	0.6
385.16238	1.8
396.11459	0.7
403.17487	12.5
404.17886	1.0
407.11276	0.5
408.11456	0.6
432.13837	0.6
450.12772	0.6
498.14450	0.8
510.14890	0.5
589.08875	0.4
601.22711	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32003	1.2
55.05510	3.4
59.05001	7.3
59.45972	1.6
69.03410	2.4
69.81516	4.6
75.57904	1.2
76.11330	1.2
78.81190	1.1
85.02906	5.8
91.05479	1.9
100.07603	1.5
100.11262	3.7
107.04973	2.5
131.08566	2.6
137.05965	2.1
153.54187	1.4
159.08054	2.1
167.07053	8.2
182.15417	2.7
183.15793	2.2
187.07545	2.7
191.07094	1.9
204.07903	2.7
210.06731	1.8
210.14880	2.9
219.10172	4.0
221.05991	2.0
222.06622	1.8
225.09125	4.5
231.10237	2.8
233.09453	1.6
238.06290	4.8
239.06975	1.5
249.11197	2.0
253.08609	12.1
254.09180	3.6
255.06633	3.6
256.07288	2.0
265.08673	1.9
266.05682	3.9
266.10013	1.6
267.06558	3.2
267.10114	2.0
269.08289	1.4
269.11642	1.5
270.08817	3.3
271.06107	1.5
271.09555	1.8
278.09348	2.7
279.10126	2.3
281.08054	20.8
282.08835	5.3
283.06064	2.3
285.07687	1.9
285.11322	3.8
287.09399	1.6
293.11810	2.6
295.09741	3.3
297.07788	2.2
297.11227	3.3
298.08334	3.9
299.09164	2.6
302.07956	2.4
304.09540	2.4
310.11963	1.9
313.10715	15.0
314.11292	4.0
315.08670	2.6
315.12158	2.0
317.10266	12.9
321.11121	3.1
325.14609	1.9
329.13770	3.7
330.10995	3.8
331.11731	4.2
339.12360	4.1
340.13034	1.7
345.13293	33.8
346.14084	2.4
353.13940	3.6
371.14868	6.1
385.16483	15.8
403.17511	100.0
404.17746	7.9
517.72351	1.3
547.21631	1.6
581.40936	1.6
590.84076	1.7
599.42206	1.8
600.41125	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13296	0.1
52.65246	0.1
55.01869	0.2
61.02905	0.2
61.17799	0.2
67.05460	0.2
69.03418	0.7
69.72340	0.1
71.04985	0.1
71.30272	0.3
79.38092	0.2
81.03425	0.2
85.02912	1.0
91.05480	1.4
95.04952	0.1
96.68355	0.1
97.02877	0.7
103.05466	0.3
105.07018	0.6
107.04955	1.5
108.05295	0.2
110.45638	0.1
115.05452	1.1
116.06217	0.4
117.07054	0.7
121.06474	0.2
128.06216	1.9
128.57443	0.1
129.07010	4.7
130.07838	0.2
131.04898	0.5
131.08565	5.8
132.05714	0.2
133.06470	0.9
133.10098	0.5
141.06987	1.5
142.07756	0.6
143.08604	1.1
144.05693	1.9
144.06596	0.2
145.04936	0.1
145.05424	0.2
145.06487	1.6
146.07278	0.8
147.04393	0.4
147.08017	0.3
153.06981	0.7
155.06062	0.3
156.05641	0.6
157.06479	2.5
158.07301	0.8
159.08051	10.3
160.05057	0.2
160.08510	0.3
161.05986	0.6
161.09630	2.5
167.07045	0.7
169.06473	0.3
169.07620	1.4
170.07237	1.8
171.08063	2.1
172.05136	0.7
173.05974	1.4
174.06725	0.8
175.07545	1.0
178.06270	0.4
180.08688	0.3
185.06017	0.2
186.06776	0.2
187.07539	8.5
188.08186	0.5
189.05469	0.5
189.09106	3.6
190.06207	0.5
190.09567	0.2
191.07114	0.3
192.07750	0.3
193.08617	0.4
198.06763	0.6
199.07501	0.9
201.05515	0.2
203.07028	1.4
204.07805	4.1
205.08624	0.7
206.09366	0.3
216.07814	1.5
217.08574	0.5
218.09329	0.6
219.10181	2.4
221.08153	0.3
221.11684	1.4
231.10165	2.9
234.08900	0.4
237.11186	1.1
249.11212	100.0
250.11549	4.7
267.12292	2.8
363.41647	0.2
411.16635	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49332	0.2
52.78354	0.3
53.03933	0.3
53.29471	0.2
57.03428	0.3
61.02923	0.5
61.83961	0.2
69.03423	0.8
70.35073	0.5
70.35416	0.4
79.05499	0.3
81.03421	0.4
84.31921	0.2
85.02908	2.2
91.05467	1.0
96.72424	0.3
97.02894	0.8
98.22617	0.3
103.05459	0.4
105.07003	0.4
107.04953	15.9
108.05280	5.4
115.05447	0.7
116.06247	0.5
117.07021	0.7
123.04392	0.3
128.06210	1.4
129.07005	4.3
131.04970	0.6
131.08560	5.1
133.06461	0.9
133.10121	0.3
141.06985	1.9
142.07835	0.4
143.08540	0.9
144.05675	2.1
145.04939	0.3
145.06462	1.4
146.07297	0.6
147.04396	0.4
147.08057	0.2
149.05963	0.4
151.03897	0.8
153.06956	0.4
155.06041	0.4
157.06477	2.5
158.07198	0.5
159.08040	10.3
160.08469	0.4
161.05959	0.4
161.09583	2.0
167.07039	0.4
169.06387	0.3
169.07613	1.1
170.07292	1.7
171.08022	2.0
172.05159	0.8
173.05965	1.2
174.06726	0.8
175.07532	0.7
178.06253	0.3
180.08649	0.3
181.04959	0.6
181.06377	0.4
182.05284	0.5
185.06052	0.4
187.07538	6.9
188.08174	0.5
189.05446	0.6
189.09085	3.3
191.06996	0.5
192.07613	0.3
193.04932	1.0
194.05266	0.8
198.06673	0.6
199.07529	1.0
201.05536	0.4
203.07056	1.3
204.07808	5.2
205.05052	0.3
205.08604	0.6
207.10141	0.3
211.06067	0.6
216.07784	1.0
217.04974	0.3
217.08556	0.5
219.10187	1.5
221.08026	0.3
221.11705	1.1
231.10135	2.6
234.08864	0.3
235.06059	0.5
236.06325	0.7
237.11215	0.6
239.37488	0.3
248.06209	0.5
249.11201	100.0
250.11530	4.6
259.06149	0.3
260.06091	0.4
265.55316	0.3
267.12225	3.3
275.09241	0.3
276.09503	0.3
288.09409	0.5
295.08255	0.3
299.08884	0.7
300.09442	0.9
313.63699	0.2
317.10217	0.9
318.10342	1.5
341.10120	0.9
342.10498	1.7
353.09863	0.4
354.10483	1.4
366.10553	0.9
372.11548	0.4
384.11475	1.2
396.11594	0.4
401.12506	0.3
402.12567	0.6
406.96924	0.3
420.13699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23849	0.6
57.00191	0.7
61.96107	0.7
65.34588	0.7
69.03417	1.0
69.31726	4.9
82.23054	0.6
87.34174	0.7
91.05474	1.9
91.98494	0.7
103.05476	0.7
105.07043	0.9
115.05454	1.8
117.07039	1.0
128.06206	2.1
129.07004	5.7
131.08583	5.5
133.06450	1.3
136.06052	0.9
139.78395	0.8
141.06969	1.5
142.07744	1.3
143.08595	0.8
144.05727	1.8
145.06467	1.4
153.06999	1.0
157.06450	2.3
159.08057	9.7
161.09621	2.8
170.07246	1.8
171.08057	2.2
175.07541	1.3
186.06943	0.8
187.07532	6.9
189.09088	3.7
199.07446	0.8
203.06967	1.9
204.07874	3.7
205.08437	0.8
216.07787	1.3
219.10179	2.3
221.11754	1.6
231.10182	2.5
233.11613	0.7
249.11221	100.0
250.11598	4.0
251.12798	2.1
259.38403	0.7
267.12222	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
57.03441	0.9
58.95723	0.5
59.05003	6.1
60.33302	0.6
61.02920	1.0
65.71024	0.9
69.03426	4.9
69.96363	2.1
73.02921	0.9
81.03418	2.1
85.02419	1.0
85.02904	11.4
91.05460	0.7
97.02881	3.5
105.07019	0.8
107.04924	0.9
109.02859	0.9
109.06533	0.7
127.03915	1.4
131.34564	0.6
133.06491	1.1
137.05983	2.2
145.04977	1.7
153.05449	0.8
159.08105	0.7
161.05960	2.5
163.07532	1.0
165.05528	0.9
165.07005	0.6
167.07062	2.5
177.05478	0.7
182.07259	0.7
191.06976	1.2
192.07837	1.5
193.08578	3.1
195.08032	1.6
197.09746	0.9
199.07509	0.7
209.09833	0.8
210.06766	2.4
211.07445	1.7
221.06035	1.6
222.06691	1.7
223.07524	0.9
224.08371	0.8
225.05571	0.9
225.09169	3.8
226.06331	0.8
227.07007	2.3
228.07767	0.8
237.05426	1.5
238.06239	4.9
239.07028	1.8
240.07730	1.1
241.08621	1.2
242.09526	0.9
250.10039	1.0
251.07034	2.2
252.07799	2.2
253.08600	12.4
254.05852	0.8
254.09305	2.7
255.06528	2.5
255.10074	0.9
256.07339	2.7
257.08041	1.0
263.07172	0.9
265.08545	1.7
266.05817	2.8
266.09213	1.3
267.06506	3.7
267.10217	1.3
269.08231	1.2
269.11664	1.9
270.08920	3.1
271.06152	0.8
271.09695	1.8
272.06818	0.7
272.10123	0.9
273.07855	1.3
277.08728	1.0
278.09326	0.9
279.10037	1.0
280.07318	0.9
281.08084	18.6
282.08795	6.8
283.06003	1.8
283.09564	2.3
284.06818	1.0
285.07837	1.3
285.11203	3.6
287.05502	1.3
287.08936	1.1
288.09921	1.1
293.11804	1.4
295.09616	2.5
296.10336	0.8
297.08060	1.5
297.11227	3.6
298.08365	3.4
299.09039	2.2
300.10159	0.9
301.06970	1.2
301.10855	1.7
302.07837	2.7
304.09497	2.0
311.12924	1.3
313.10709	14.9
314.11304	4.1
315.08737	1.3
317.10181	12.7
317.13678	1.2
318.10367	0.9
321.11374	2.4
322.11636	0.7
325.14267	1.4
327.12137	0.9
329.10419	1.0
329.13803	3.8
330.10999	4.7
330.14426	1.2
331.11734	3.6
338.11380	1.3
339.12186	4.4
340.12863	1.2
345.13324	37.2
346.13846	2.9
353.13831	2.3
371.14899	6.2
385.16583	5.3
388.15347	1.0
403.17502	100.0
404.17868	10.1
565.22375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65106	19.0
55.05508	36.5
57.07069	43.3
66.45954	20.0
69.07048	20.1
69.92129	16.7
70.57829	40.6
70.58170	35.3
71.08646	42.5
79.36462	17.8
81.07060	51.8
83.04981	36.5
89.06035	91.8
91.05491	25.0
93.07061	21.5
95.08629	35.7
98.23397	20.1
102.04656	22.3
133.08620	43.5
145.10278	18.5
147.50601	18.6
158.15367	21.7
177.11259	22.8
225.08923	25.5
252.26175	19.7
253.08556	23.2
281.07999	42.1
311.09357	22.9
343.11755	100.0
383.15005	30.8
409.41452	21.1
583.16998	22.1
599.51398	27.0
601.27863	28.8
601.37170	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01855	0.7
55.05519	0.8
57.03437	1.1
61.02923	0.8
63.50815	0.5
67.05505	1.6
69.03414	2.5
69.07063	2.5
70.16142	1.1
70.16498	0.8
71.08595	0.9
79.05505	2.9
81.03465	0.7
81.07045	6.1
85.02894	4.1
91.05479	1.9
93.07030	1.2
95.04973	1.4
95.08618	1.1
97.02879	1.2
97.06525	0.7
99.04452	1.3
99.08091	100.0
100.08435	1.4
103.05444	0.6
105.07050	2.3
107.04956	5.0
107.08582	1.4
115.05483	0.7
117.07046	1.2
119.08591	2.3
121.06522	0.9
121.10162	0.7
123.04402	2.2
124.05225	0.9
128.06216	1.5
129.06984	1.2
131.08562	1.3
133.06450	3.1
133.10158	1.1
135.08052	1.1
135.11711	0.7
136.05232	1.0
137.05957	2.2
138.06732	1.2
139.07588	0.8
141.06981	0.8
142.07823	0.7
143.08548	3.9
145.06523	0.7
145.10127	1.7
147.08075	1.5
147.11668	0.7
148.05154	3.8
149.05904	0.8
151.03873	1.0
151.07526	1.4
154.06210	3.1
155.08501	1.1
157.10104	1.4
159.07982	0.9
160.08920	1.0
161.05936	1.3
161.09698	1.2
163.07631	0.7
165.05495	0.8
165.09145	1.0
166.06276	5.2
167.07040	40.6
168.07449	1.1
169.08633	3.9
169.09962	1.0
171.08078	2.6
173.09610	2.3
175.07579	1.6
175.11153	3.0
176.08304	0.8
177.05515	1.0
177.09175	1.1
178.09871	1.2
179.07039	1.0
181.08586	60.9
182.08955	1.9
185.09688	0.9
187.11266	1.2
189.09126	2.1
191.07062	1.0
193.08583	2.1
194.09387	0.7
195.10121	3.7
195.11682	0.8
202.09958	0.7
203.10645	10.8
205.08601	2.0
206.09348	0.9
207.10182	1.1
209.08119	1.2
209.11685	2.2
209.13547	0.8
211.09367	0.7
211.11220	1.2
215.14221	0.7
217.12245	1.4
218.13002	9.3
219.10191	2.0
220.10974	0.8
221.13307	1.3
223.13266	1.4
224.95970	0.6
234.12456	1.2
235.13257	21.2
237.14867	2.2
247.14856	0.8
249.14857	37.2
250.15298	1.7
253.14343	9.4
254.81401	0.6
267.15921	27.8
268.16351	1.5
291.12027	2.8
303.08725	0.7
313.19418	0.6
396.26434	0.7
443.25687	1.7
453.22687	1.5
461.26855	4.2
479.27408	0.8
483.24036	0.6
499.23087	1.2
517.24103	1.1
547.24628	0.7
582.28748	1.7
600.19238	33.4
600.28705	1.5
601.22400	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01874	1.6
55.05511	8.9
55.65494	0.7
57.03432	1.4
57.07078	1.2
58.99589	0.8
65.03935	1.3
67.05504	10.2
69.03420	3.2
69.07073	5.4
71.05003	1.4
77.03940	1.0
78.24939	0.9
79.05487	5.8
80.05780	0.8
81.07070	8.6
82.41793	0.7
83.04990	2.3
83.08622	2.5
85.06550	9.4
86.00649	1.4
86.81230	0.6
88.02206	0.7
91.05478	13.0
93.07047	14.7
95.04972	2.1
95.08610	20.1
97.06537	2.4
97.10188	3.8
98.23371	1.5
99.04469	1.3
99.08086	0.8
101.06002	1.3
103.01978	0.7
103.05453	0.9
105.07036	18.5
105.07745	0.9
106.07378	0.8
107.04983	1.1
107.08595	15.6
109.06559	1.8
109.10160	4.9
111.04468	0.8
111.08081	2.1
113.06020	1.7
115.05454	2.8
117.07018	10.0
119.08579	26.8
120.08884	0.9
121.06485	1.6
121.10131	6.4
123.08080	3.3
123.11715	1.3
125.09641	1.8
127.07652	0.7
128.06229	6.0
129.07024	11.4
130.07770	2.4
131.04927	2.2
131.08574	19.7
131.09494	1.4
132.01175	1.9
132.08937	1.2
133.06485	1.7
133.10123	20.2
135.08070	1.1
135.11687	6.7
137.06015	0.9
137.09608	1.2
139.07545	1.3
141.06975	5.0
141.09094	5.1
142.07787	6.1
143.08565	19.3
144.09351	1.6
145.06485	3.6
145.10123	20.1
146.10487	1.5
147.08009	3.7
147.11671	7.0
149.09625	1.7
151.11220	0.9
153.07033	1.8
154.07761	3.2
155.08537	13.3
156.09326	4.4
157.06471	2.6
157.10126	16.8
158.10683	1.0
159.08043	5.2
159.11691	10.7
161.09637	2.3
161.13287	3.2
163.11188	1.4
163.14778	1.7
164.43109	0.9
165.06975	4.7
166.07771	1.9
167.08578	5.1
168.09361	4.0
169.06473	1.9
169.10126	13.3
170.10852	1.7
171.08034	6.5
171.11710	12.3
172.08696	1.1
173.09631	20.7
173.11137	1.1
173.13235	5.2
174.10013	1.6
175.11218	5.4
177.09132	1.4
177.12776	1.2
178.07782	2.3
179.08560	7.2
180.09332	3.0
181.10103	9.8
182.10814	1.6
183.08093	3.1
183.11690	10.1
184.12175	0.9
185.09639	6.7
185.13280	5.1
186.13791	0.9
187.05751	0.8
187.11194	15.4
187.14848	2.3
188.11568	1.3
189.09067	1.4
189.12723	3.7
190.07761	1.5
191.08571	4.0
191.10519	1.5
191.14316	4.5
192.09344	3.9
193.10126	9.6
193.12051	1.2
194.10945	3.7
195.08052	2.2
195.11682	8.8
196.08794	1.0
196.12398	1.1
197.09584	6.8
197.13293	5.6
199.07504	3.6
199.11147	7.9
199.14847	2.3
201.09178	2.2
201.12756	2.5
201.16351	1.0
202.07808	1.1
203.08604	3.1
203.10599	1.6
203.14328	2.7
204.09399	2.1
205.10153	5.5
206.10931	6.4
207.07950	0.9
207.11787	11.4
207.13850	2.2
208.09053	1.0
208.12456	1.5
209.09645	3.1
209.13272	6.8
209.15440	2.2
210.10445	1.8
211.11209	10.7
211.14812	3.1
213.09090	1.0
213.12755	8.9
213.16325	1.2
215.08670	1.2
215.10637	11.2
215.14232	1.3
216.09279	1.4
216.11087	1.4
217.10237	4.6
217.12135	1.3
218.10953	3.7
219.10112	2.0
219.11856	9.6
220.12431	2.8
221.09749	1.7
221.13271	27.1
221.15237	0.9
222.10452	1.6
222.13687	2.3
223.07674	2.0
223.11185	8.4
223.14742	7.9
224.11807	1.1
225.09262	1.3
225.12788	6.3
225.16304	1.7
227.08638	1.1
227.10667	1.3
227.14359	1.7
229.10121	3.0
229.15941	3.1
230.10951	3.4
231.11711	8.4
231.13864	1.7
232.12485	3.9
233.09546	1.3
233.11395	1.5
233.13513	7.4
234.13850	1.6
235.11281	3.8
235.14853	5.4
237.12717	9.2
237.16457	1.8
238.13200	0.9
239.10693	6.2
239.14293	3.2
241.10042	1.4
241.12292	9.3
241.15921	3.1
242.10796	1.4
243.11674	6.3
243.13849	1.3
244.12424	6.0
245.13269	9.2
245.15408	1.4
246.14003	3.0
247.11163	2.6
247.14859	12.0
247.17015	1.4
248.12097	1.6
248.15388	1.4
249.12825	3.6
249.16483	3.5
251.10794	1.7
251.14299	2.5
251.17863	1.1
253.12384	3.7
253.15906	1.6
255.11647	2.1
255.13931	1.8
256.12198	2.2
257.13214	6.5
257.15213	0.7
258.10324	1.0
258.13995	4.1
259.11008	0.8
259.14835	10.7
259.17105	1.6
260.12067	0.9
260.15543	3.4
261.12747	2.2
261.16495	8.9
262.13538	1.0
262.16803	0.8
263.11526	1.0
263.14383	4.5
263.17816	2.0
264.15106	0.8
265.12314	8.7
265.15176	1.1
267.13968	5.0
269.13129	1.6
270.14063	2.3
271.14841	5.9
272.15549	2.6
273.12692	1.0
273.16400	7.4
274.13809	0.8
274.17001	2.5
275.14255	2.6
275.17960	9.8
276.15012	1.2
277.12418	1.5
277.15866	5.5
277.19205	1.4
279.13931	1.8
279.17224	0.9
283.13553	1.2
283.14676	1.3
284.15555	1.0
285.13379	0.8
285.16376	6.0
286.17139	1.6
287.14267	2.8
287.17935	4.9
288.15268	1.2
288.18546	1.4
289.12677	0.9
289.15894	2.5
289.19485	2.7
291.13800	2.3
291.17334	1.5
297.16171	1.2
298.17181	1.2
299.14554	1.5
299.17957	3.8
300.18427	1.1
301.15836	2.3
301.19516	2.5
302.16669	1.0
302.20053	1.1
303.14081	1.3
303.17480	4.7
303.20987	2.1
304.17953	1.2
305.15329	3.6
307.16837	1.1
311.17633	1.5
312.15027	1.1
313.15930	2.4
313.19464	1.7
315.17398	1.4
317.15338	2.0
317.18988	2.1
318.16013	1.4
319.17099	6.7
321.18515	3.6
325.19427	1.5
327.17462	3.2
327.20932	1.2
329.18997	2.1
331.16913	1.6
331.20624	1.5
333.18488	2.5
336.12634	1.0
337.18375	1.2
341.19012	2.1
345.18530	6.9
346.19177	1.2
347.20108	4.8
349.21552	1.3
355.20578	2.4
357.22046	1.3
359.20029	2.4
373.21555	2.0
374.22153	1.0
375.23236	1.5
379.24176	1.8
383.19418	1.6
383.23688	2.5
385.22095	1.1
391.26584	0.9
397.25507	5.4
399.27005	0.9
401.20462	1.8
401.25339	6.9
402.25232	1.6
405.28256	1.1
407.23764	2.5
415.26352	12.5
416.26630	2.0
417.27917	13.3
418.28104	1.8
419.26160	5.9
425.24744	15.5
426.25037	1.4
433.21957	1.5
433.27353	13.6
434.27707	1.8
435.29007	2.5
443.25772	31.9
444.26038	3.8
451.28342	1.4
459.24936	1.4
461.26852	100.0
462.27194	11.0
475.22766	2.8
479.27945	22.3
480.28235	2.1
493.24167	12.4
494.24551	1.3
495.25882	1.4
536.28290	2.1
554.29181	2.2
564.27582	1.0
582.28851	42.5
583.29364	7.1
600.30005	21.0
601.27954	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91487	0.7
55.01846	2.6
55.05492	1.0
57.03441	7.2
59.04986	0.9
60.11070	0.8
61.02904	2.5
67.05503	4.4
69.03435	4.2
69.07041	2.9
70.06586	2.1
71.01342	1.4
73.02917	10.3
79.05478	3.6
81.07055	3.9
83.04987	0.9
83.08600	1.5
85.02909	11.5
87.04443	1.2
91.05458	4.6
92.96896	0.8
93.06542	1.0
93.07037	9.4
95.04958	1.1
95.08606	14.7
96.08125	8.9
97.02894	6.7
97.06536	1.4
99.04433	0.8
103.03938	1.3
105.07038	10.3
107.04961	1.2
107.08592	11.6
109.02814	1.3
109.06515	12.3
109.10151	14.2
111.08059	2.2
115.03925	4.2
117.07002	2.6
119.08572	14.9
121.06504	1.1
121.10145	10.9
122.10914	0.9
123.08063	3.4
123.11674	2.3
125.09577	1.4
127.03894	1.8
128.06123	1.0
129.06982	2.2
131.08577	6.7
133.04974	5.1
133.06477	1.3
133.10127	26.8
135.08000	1.8
135.11681	1.6
136.90089	0.8
137.09607	7.3
142.07747	2.9
143.08548	6.9
144.08086	0.8
145.04900	1.6
145.10104	6.7
147.08002	1.7
147.11690	6.4
149.09621	4.9
151.11188	1.4
156.09341	2.5
157.10135	13.5
158.10457	0.9
159.11644	4.7
161.09593	3.3
161.13242	1.5
163.11203	1.4
170.10886	1.7
171.11697	11.9
172.12413	1.1
173.13251	10.4
175.11244	4.5
184.05464	0.8
184.12468	1.1
185.13254	1.7
187.14819	3.2
189.12712	1.8
189.16344	1.8
198.14030	2.2
213.16379	31.5
214.16637	1.8
231.17419	37.5
232.17781	1.8
233.11870	1.4
249.11299	1.1
249.18477	18.9
250.14662	1.2
279.54706	0.8
319.18069	0.9
543.27979	100.0
544.28320	9.8
600.33734	43.9
601.33783	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.05510	3.3
57.07071	2.0
59.04999	0.9
66.17505	0.8
67.05515	5.5
69.03426	1.6
69.07060	2.8
71.08281	0.8
73.52098	0.7
79.05476	5.1
81.07056	7.5
83.04977	2.6
83.08617	1.2
85.06561	0.9
87.44391	0.7
89.06019	2.4
91.05479	6.9
93.07036	9.8
95.04969	2.2
95.08607	7.1
97.06508	0.9
102.98609	0.7
105.07030	12.9
107.08596	8.9
109.06514	3.3
109.10172	3.1
115.05516	1.1
117.07012	2.7
119.08582	12.3
121.06535	1.8
121.10137	7.0
123.08049	4.1
125.06004	1.5
125.09603	1.8
128.06203	2.1
129.07005	3.0
130.07785	1.6
131.08569	5.4
133.06520	1.1
133.08595	1.8
133.09280	0.8
133.10120	6.0
135.08040	4.3
135.11696	2.4
137.09608	1.2
141.06956	1.1
142.07756	4.3
143.08566	6.5
144.09349	2.1
145.10121	8.1
147.08023	6.1
147.11690	2.4
149.09636	2.7
151.07539	2.6
155.08563	3.2
156.09384	2.2
157.10115	11.0
157.27510	0.7
158.10887	2.1
159.08063	3.3
159.11674	5.0
161.09648	3.2
161.13293	1.4
163.11176	2.5
165.06996	1.2
165.09157	6.4
167.07114	0.8
167.08542	1.8
167.10709	2.7
169.10179	3.8
170.10910	1.3
171.08089	0.8
171.11749	4.1
172.08818	0.8
173.09656	2.6
173.13257	2.4
175.11194	3.2
177.12778	0.9
179.08565	1.2
181.10129	2.2
181.12289	1.8
182.10881	1.6
183.08066	1.1
183.11682	3.6
184.12378	0.9
185.13271	3.7
186.13933	1.0
187.11095	1.8
189.12767	2.2
190.13618	1.7
191.14305	0.8
192.09430	0.9
193.10155	2.0
193.12227	1.9
194.10844	1.2
195.11708	3.1
196.12410	1.1
197.09645	0.9
197.13232	2.5
199.11226	1.9
199.14810	1.5
201.09148	2.8
201.12749	2.1
202.09895	2.7
203.14302	3.7
206.10864	1.5
207.11684	2.2
207.13644	1.8
208.09081	0.8
208.12471	1.3
208.14542	1.0
209.13245	2.1
209.15222	1.2
210.06657	1.3
210.10243	0.8
211.11197	1.3
211.14833	1.4
213.12694	0.8
217.15895	1.0
219.08008	1.0
219.11696	1.0
219.13773	1.3
220.09053	1.2
221.09702	1.2
221.13278	1.3
221.15321	13.9
223.11232	0.9
223.14809	1.9
225.12735	1.5
225.16376	1.1
227.06981	1.0
229.15916	1.1
233.13318	1.2
233.15436	3.3
234.06926	0.9
234.10355	0.8
234.13933	0.8
234.16118	1.8
235.11156	2.7
235.14876	1.8
235.16927	0.8
236.11932	0.7
237.09091	2.4
237.14735	4.8
239.07021	1.4
239.14221	1.5
240.07806	1.0
247.07532	0.9
247.14821	1.0
247.17030	1.7
248.08275	1.9
248.14124	1.7
248.95320	0.8
249.09137	3.0
249.12822	0.9
249.16428	1.0
250.09909	0.8
251.10658	2.4
252.11427	3.1
253.08661	1.0
253.15771	1.6
254.09492	1.6
255.17441	3.4
256.07330	1.5
261.09210	2.0
261.16351	1.5
263.10654	5.7
264.11407	2.2
265.08636	6.4
267.06308	1.0
267.09982	1.0
267.13925	2.3
270.05304	0.8
271.09567	1.1
273.18512	0.9
274.19333	1.7
277.08627	8.8
278.09137	1.7
279.07184	0.8
279.10223	2.2
279.17239	1.1
280.10928	7.3
281.08051	0.9
281.11649	2.4
281.15768	0.8
281.18802	1.2
285.18491	1.1
286.19202	2.5
287.09082	1.2
287.20102	1.8
291.10071	2.1
292.10980	1.7
293.08029	2.9
293.11581	1.9
294.08917	1.5
294.12436	1.4
295.10068	1.1
295.13306	9.1
296.13828	1.9
297.11185	1.3
299.09094	1.5
299.20163	2.1
303.19537	8.6
308.10480	2.0
309.11206	6.8
310.11807	0.9
311.20084	1.0
313.21661	2.2
323.12784	8.0
324.13483	7.5
325.10696	3.4
325.14258	2.4
325.21552	1.4
327.15991	1.4
337.21597	1.4
340.13071	2.4
340.16742	1.6
341.13559	1.1
352.23962	14.4
353.24484	1.1
355.15393	100.0
356.15994	13.2
365.24783	2.8
387.18094	12.7
403.21100	3.0
502.34442	2.1
503.34848	1.2
505.33194	1.1
507.34564	1.8
520.35406	6.0
585.39233	1.1
600.41827	1.7
600.50287	0.9
601.27881	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.05499	1.8
57.07067	1.3
59.05009	0.8
60.47417	0.4
61.67674	0.5
64.60761	0.4
65.03944	0.5
67.05513	2.7
68.05825	0.4
69.03434	1.2
69.07066	1.6
77.97504	0.5
79.05498	3.2
81.07059	4.2
83.04983	1.7
83.08606	0.8
85.06560	0.6
89.06058	1.0
89.34408	0.5
91.05483	5.1
92.05828	0.5
93.07043	6.5
95.04977	1.8
95.08619	3.4
97.06544	1.0
103.05504	0.5
105.07037	8.1
106.68938	0.5
107.08596	5.0
109.06519	1.6
109.10166	2.4
111.04424	0.5
111.08134	0.7
115.05428	1.1
117.07021	2.4
119.08585	6.5
121.06516	1.6
121.10147	4.7
123.08067	1.9
125.06024	0.8
125.09608	0.9
128.06209	1.0
129.07021	2.2
130.07736	0.5
131.08588	4.0
133.06490	0.8
133.08601	0.9
133.10149	4.1
135.08066	1.7
135.11699	1.4
137.09619	1.2
141.06969	1.3
142.07788	2.2
143.08560	4.6
144.09320	1.1
145.06519	0.8
145.10133	5.3
146.10736	0.4
147.08058	1.9
147.11691	1.5
149.09648	1.6
149.13257	0.7
151.07521	1.5
154.07646	0.4
155.08557	1.9
155.10660	0.7
156.09302	1.9
157.10153	5.8
157.67426	0.5
158.10753	1.1
159.08041	1.6
159.11694	4.1
159.16042	0.5
160.12195	0.6
161.09602	2.0
161.13283	1.1
163.11201	1.8
165.06985	1.5
165.09122	2.7
165.66832	0.5
166.07939	0.5
167.07120	0.6
167.08566	1.1
167.10713	1.0
168.09349	0.7
169.10114	2.5
170.10889	0.8
171.11699	3.4
172.12486	0.5
173.09657	1.6
173.13255	1.5
175.11212	1.6
179.08569	1.0
179.10754	0.6
180.09300	0.8
181.10252	1.1
181.12213	1.1
182.10925	0.8
183.11769	2.5
185.09705	0.7
185.13269	2.0
186.10027	0.5
187.11151	1.2
189.12738	0.8
190.13530	1.0
191.14336	0.6
192.09396	0.9
193.10062	1.6
193.12128	0.8
194.10867	0.8
195.11742	1.9
197.09703	0.6
197.13254	2.2
199.11240	1.1
199.14821	1.5
201.09100	1.4
202.09898	1.3
203.14342	1.9
205.12178	0.5
206.10760	0.7
207.08014	0.5
207.11696	1.5
207.13867	1.3
208.12489	0.6
208.14606	0.7
209.09584	0.8
209.13266	1.6
209.15181	0.6
210.06590	0.6
211.07529	1.0
211.11128	0.7
211.14857	1.5
213.12782	0.5
213.16273	0.8
215.14339	0.9
219.08066	1.0
219.11810	0.7
219.75095	0.5
220.08797	1.3
221.09698	0.9
221.13341	1.2
221.15320	5.3
222.06761	0.5
222.10530	0.5
222.13876	0.7
223.07549	0.8
223.11217	0.9
223.14720	1.7
225.09151	1.0
225.12775	0.6
225.16321	1.2
227.14449	0.6
228.07724	0.6
233.09599	0.7
233.15353	1.8
234.06816	0.5
234.10159	0.6
234.16165	0.7
235.07510	0.7
235.11209	2.4
235.14732	1.1
235.16881	0.5
236.11998	0.7
237.09183	3.2
237.12776	0.7
237.14891	1.7
237.16808	0.6
238.06299	0.7
239.07018	0.8
239.14281	0.8
241.05002	0.6
243.06468	0.8
247.07741	1.0
247.16989	0.7
248.08293	2.4
248.14038	0.6
249.09146	3.0
249.16415	0.5
250.09698	0.7
251.06990	0.9
251.10698	1.4
251.14404	0.6
251.17860	0.6
252.11395	2.2
253.15886	0.7
254.09302	1.4
255.06413	0.9
255.17488	2.2
256.07349	1.3
261.08942	0.9
263.10611	5.3
263.17804	0.6
264.07779	0.5
264.11481	2.2
265.08588	5.7
265.11526	0.8
266.09338	1.3
266.13074	0.5
267.06671	0.6
267.10031	0.7
267.13739	1.2
269.08292	0.5
269.11621	0.6
270.08847	0.7
270.19843	0.8
271.09610	0.9
274.19357	0.6
277.05881	0.8
277.08621	7.0
277.11584	0.9
278.09265	1.7
279.10150	2.0
280.10965	7.6
281.08499	0.5
281.11688	2.4
281.19067	0.7
282.08905	1.3
284.06839	0.7
285.07846	0.8
285.11261	0.9
285.18716	0.7
286.19345	1.1
287.09302	0.6
287.20135	0.9
290.09164	0.6
291.10211	1.4
292.10880	1.1
293.08084	2.9
293.11728	2.2
294.08807	1.7
294.12350	1.0
295.13300	8.4
296.13803	1.2
297.11224	1.8
299.09201	1.7
299.20059	1.3
300.09979	0.7
301.10663	0.6
303.19543	2.7
308.10526	2.1
309.11188	7.4
310.11728	0.9
312.13635	0.6
312.20880	0.6
313.10834	0.7
313.21524	1.5
323.12787	7.4
324.13519	7.7
325.10654	2.8
325.14236	1.4
325.21637	1.5
327.15964	1.1
331.11581	0.8
339.12079	0.6
340.13019	3.4
341.13651	0.9
345.13412	0.6
352.23941	4.3
355.15393	100.0
356.15961	11.8
365.24850	2.5
387.18018	10.8
419.13953	0.6
505.33191	0.6
507.34381	1.3
520.35327	2.1
582.38666	1.0
585.38440	0.6
597.14307	0.5
600.41492	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	4.5
56.61597	3.0
57.07074	11.2
60.02318	3.5
64.69867	3.2
65.44675	3.5
67.05492	20.9
69.03407	5.3
69.07069	7.4
71.30105	4.6
79.05492	12.8
81.07055	22.2
85.06538	4.6
89.06042	19.6
91.05492	19.0
93.07027	27.1
95.05029	7.8
95.08623	20.8
97.06554	4.7
97.87531	3.6
102.02741	4.2
105.07035	31.7
107.08626	17.7
109.06532	8.7
109.10172	9.6
117.07027	10.5
119.08591	40.6
121.06487	5.8
121.10152	21.8
123.08089	10.8
123.11710	4.2
125.06012	5.6
128.06207	4.7
129.07033	8.2
131.08580	13.2
131.39778	3.7
133.08632	15.1
133.10141	13.0
135.08064	11.1
135.11682	4.7
137.09644	10.8
142.53891	3.5
143.08566	18.6
144.09308	4.3
145.10164	24.9
146.17613	3.5
147.08075	17.1
147.11678	7.9
149.09612	8.5
151.07538	12.2
155.08559	7.9
156.09366	6.4
157.10106	27.9
158.10757	3.8
159.11710	18.9
161.09622	9.3
161.13272	7.0
163.11206	16.3
165.09116	40.1
166.09573	4.5
169.10161	11.5
170.10905	5.4
171.11674	13.4
172.12401	7.0
173.09666	11.9
173.13252	5.4
175.11186	15.8
175.14896	4.7
177.09132	4.6
177.12625	4.9
181.10109	4.0
181.12271	15.2
183.11710	9.8
185.09659	3.9
185.13202	9.8
189.12770	5.3
190.13550	6.9
193.10172	4.4
193.12245	7.5
195.11729	5.0
195.13889	3.9
197.13229	9.4
201.12762	4.9
203.14325	15.0
204.20578	4.2
207.11855	5.8
207.13805	10.8
208.14525	10.6
209.13432	6.0
219.13957	5.3
221.13382	5.1
221.15366	100.0
222.15787	8.2
225.12886	5.7
227.14403	5.0
233.15387	5.3
234.16139	17.8
247.16989	22.0
248.17299	6.4
274.19299	10.2
287.19952	7.8
299.20035	15.1
312.20966	7.8
313.21655	5.7
325.14334	4.6
325.21637	12.6
326.22232	4.1
328.99094	3.8
339.23337	4.2
339.28671	4.1
340.24048	15.2
352.20245	3.6
352.23962	24.5
355.15332	6.9
385.16586	12.3
387.25500	4.9
392.26785	5.2
419.29440	7.8
420.29507	4.7
425.26740	7.0
427.28452	11.1
440.29276	38.4
442.30389	5.1
508.35165	6.1
520.35217	24.0
600.41278	23.9
600.55548	8.9
601.42206	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.6
53.03938	4.4
55.01854	3.6
55.05504	16.7
57.07082	10.3
59.05000	4.0
63.03285	1.8
64.35547	2.1
65.03941	4.9
67.05504	25.2
68.05836	2.2
69.03436	15.0
69.07067	14.8
69.40856	14.7
79.05487	28.9
81.03416	3.9
81.07059	41.1
83.04985	15.6
83.08617	8.6
85.06544	6.3
87.04424	2.1
89.06042	3.5
91.05478	50.0
92.05772	3.1
93.07047	71.5
95.04964	18.0
95.08601	41.6
96.08935	3.0
97.06536	10.7
97.10167	3.0
98.23183	5.2
103.05482	4.7
105.04477	2.4
105.07027	77.8
106.07343	2.2
107.04964	5.3
107.08596	51.1
108.08904	4.0
109.06516	15.2
109.10157	19.1
110.10525	2.3
111.04443	2.8
111.08070	5.4
115.05436	5.0
116.06251	2.3
117.07018	19.3
119.04957	2.5
119.08572	66.0
120.08865	3.5
121.06500	14.7
121.10130	35.9
122.10487	2.4
123.08054	23.5
123.11700	6.0
124.26040	2.1
125.06004	3.7
125.09609	7.2
128.06218	12.0
129.07014	21.9
130.07805	9.7
131.08569	39.6
132.09322	2.5
133.06497	5.6
133.08609	3.6
133.10126	43.3
135.08044	24.1
135.11705	12.4
137.09590	12.9
139.07507	3.2
139.11182	2.5
141.06935	10.9
142.07773	24.8
143.08562	41.0
144.09357	13.9
145.06456	3.9
145.10120	59.8
146.10767	3.5
147.08057	31.6
147.11696	16.6
149.09610	16.8
149.13225	2.5
151.07538	15.4
153.07004	2.5
153.09091	2.1
155.08589	17.0
156.09326	14.9
157.10126	66.4
157.11427	3.3
158.07251	2.4
158.10840	5.9
159.08025	17.0
159.11700	26.7
160.08826	3.5
160.12025	4.3
161.09610	18.5
161.13249	8.0
162.10120	2.0
163.07562	2.8
163.11200	17.7
165.06961	6.8
165.09117	37.9
166.07761	4.3
167.08546	8.9
167.10681	9.0
168.09296	5.0
169.10126	23.3
170.10924	10.2
171.07957	3.7
171.11693	29.2
172.12393	8.7
173.09610	13.1
173.13268	15.3
174.10428	3.3
175.11205	23.4
175.14845	5.7
177.09048	3.1
177.11224	2.8
177.12750	5.3
178.07813	3.0
179.08563	8.2
179.10660	3.3
180.09239	6.3
181.10126	16.1
181.12198	5.5
182.10948	9.5
183.08093	2.6
183.11679	20.6
184.12437	5.9
185.09589	4.0
185.13240	16.8
186.13718	2.7
187.11143	10.6
187.14714	4.5
188.11879	2.7
189.12708	11.7
190.13556	5.8
191.10701	3.1
192.09267	5.5
193.10210	11.4
193.11971	9.9
194.10876	10.4
195.11699	23.1
195.13446	3.5
196.12413	7.8
197.09572	3.0
197.13304	17.1
198.10379	1.9
198.13794	2.0
199.11174	7.5
199.14851	6.3
200.11841	2.4
201.12729	9.1
202.09760	2.4
202.28020	1.9
203.14276	18.3
205.10089	5.0
205.12131	2.2
206.10901	4.3
207.11679	12.9
207.13828	8.4
208.08824	2.2
208.12393	9.3
208.14494	3.9
209.09589	3.3
209.13251	21.7
209.15114	3.7
210.13914	4.6
211.11221	9.9
211.14764	11.3
212.11833	2.0
213.12776	10.4
213.16400	3.9
215.14146	3.0
215.18013	2.0
217.10144	3.8
219.11661	7.1
219.13763	4.1
220.08707	2.2
220.12439	4.5
221.13242	9.4
221.15373	45.6
222.13788	3.4
222.15681	3.2
223.11150	3.4
223.14784	12.1
224.11708	2.1
225.09116	2.3
225.12643	6.0
225.16327	5.8
226.17061	2.7
227.14470	4.5
229.15871	2.7
230.12917	2.8
231.11676	4.8
232.12273	3.8
233.09653	2.4
233.13220	7.0
233.15382	10.6
234.13942	2.9
234.16014	5.4
235.11154	5.4
235.14803	10.6
236.15392	2.4
237.09149	6.4
237.12666	6.7
237.14857	12.5
237.16844	3.5
238.06238	2.4
238.16980	2.1
239.14383	4.0
241.15807	3.1
245.13226	2.6
246.13927	3.9
247.14722	5.4
247.16971	5.3
248.08398	2.6
248.14037	4.2
249.09142	8.1
249.16429	5.9
250.09567	2.6
251.07039	2.7
251.14323	4.0
252.11371	3.7
253.15698	3.4
255.17360	12.9
259.14709	4.9
260.15427	2.5
261.16339	6.8
262.17023	2.6
263.10663	7.2
263.17935	4.5
264.11255	4.3
265.08554	12.4
265.11942	2.3
265.15811	2.7
266.09225	2.6
270.19669	2.3
271.16974	6.7
274.19421	10.1
277.08633	15.4
277.19562	2.6
278.09216	3.9
279.10162	3.5
279.17468	4.2
280.10938	9.3
281.08426	2.5
281.11786	5.6
281.18933	2.7
282.08884	3.3
284.06812	2.8
284.17694	2.5
285.07553	5.2
285.18491	5.5
286.19278	7.7
287.20053	6.1
293.08105	5.3
293.11475	3.5
294.12338	3.5
294.19550	2.3
295.13239	12.6
295.20395	2.7
296.13858	2.7
297.11227	4.4
297.18619	3.4
299.09079	4.6
299.20081	7.8
303.19528	25.6
308.10474	4.8
309.11230	13.0
310.11627	2.2
313.21765	10.9
314.11389	2.7
323.12775	13.5
324.13483	12.4
325.10651	6.2
325.14395	5.0
325.21570	7.2
327.15915	2.7
337.21646	7.7
339.64667	2.2
340.13055	6.3
341.13815	7.7
352.23993	41.1
353.24295	4.8
355.15390	100.0
356.16107	29.0
365.24689	7.4
383.26038	2.0
387.17941	22.5
502.34427	4.8
503.35120	2.8
505.32965	2.3
507.34668	5.7
520.35620	18.8
554.40863	2.8
578.80017	2.1
582.40558	10.8
600.41388	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	3.7
51.25719	3.1
53.03946	5.4
55.05503	20.9
57.07078	12.9
59.04998	7.7
65.03922	6.5
67.05511	28.1
68.69250	2.8
69.03435	13.5
69.07053	18.8
70.04859	2.9
75.99287	3.0
79.05491	42.4
81.07054	38.0
83.04989	17.5
83.08611	10.7
85.06545	7.0
87.04494	3.6
90.01600	3.4
91.05473	54.1
91.06001	5.7
93.07038	65.0
95.04947	21.1
95.08608	43.3
97.06515	10.0
98.22531	6.2
103.05445	3.5
105.07024	100.0
107.08589	61.3
109.06524	18.0
109.10155	20.9
111.08067	6.0
115.05448	9.7
117.07036	23.1
119.04903	4.1
119.08582	78.9
119.09441	4.1
121.06506	11.7
121.10127	40.9
123.08080	30.5
123.11707	6.4
124.08376	3.8
125.05994	5.1
125.09650	9.0
128.06242	18.0
129.06989	32.5
130.07779	10.8
131.08559	40.9
133.06487	10.4
133.10123	42.7
135.08040	29.1
135.11716	11.9
137.09613	15.3
139.11169	5.6
141.06975	9.9
142.07803	26.7
143.08575	54.5
144.09302	12.7
145.06487	7.8
145.10127	71.0
147.08055	33.6
147.11697	13.6
149.09578	18.2
151.07504	19.9
153.06950	4.2
154.07759	3.9
155.08517	20.5
156.09352	28.5
157.10123	75.5
158.10844	11.4
159.08063	19.8
159.11705	32.6
160.08820	7.4
161.09596	23.5
161.13286	9.7
163.11166	18.7
165.06979	6.8
165.09103	42.4
167.08557	8.4
167.10727	15.2
168.09406	7.5
169.10185	26.6
169.11441	4.4
170.10883	11.4
171.11679	39.4
172.12434	5.6
173.09665	13.3
173.13278	17.4
174.10368	4.4
175.11177	27.2
175.14822	4.2
176.11743	4.1
177.09183	6.2
177.12741	4.7
179.08557	15.7
179.10635	7.1
180.09300	5.7
181.10130	17.4
181.12222	7.2
182.10944	8.5
183.08032	4.5
183.11639	27.1
184.12468	3.6
185.09607	8.9
185.13196	22.2
186.13922	3.1
187.11208	12.1
187.14835	5.3
189.12737	14.4
190.13570	6.7
191.14337	3.8
192.09329	5.0
193.10139	13.4
193.12230	10.2
194.10910	10.9
195.11734	22.7
196.12367	6.4
197.09625	8.8
197.13313	21.2
198.14030	5.3
199.11209	9.0
199.14758	5.2
201.12724	8.8
203.14308	23.0
205.10117	9.5
206.10854	6.4
206.91296	3.6
207.11710	17.7
207.13808	14.4
208.12567	5.9
208.14456	7.6
209.13242	20.5
209.15131	4.7
210.13843	5.3
211.11270	7.6
211.14810	14.3
212.11928	3.9
213.12665	7.0
213.16481	5.0
215.14439	4.4
219.11726	7.5
219.13774	4.1
220.12560	5.0
221.13239	11.6
221.15308	70.2
222.13805	7.1
222.15810	5.9
223.11203	3.7
223.14813	11.5
225.12798	6.1
225.16377	9.4
227.14377	5.9
231.11578	6.6
232.12363	4.2
233.13281	7.2
233.15376	25.3
234.16090	8.4
235.14894	12.5
237.12704	7.4
237.14622	25.0
238.13455	3.9
241.15837	7.1
247.14742	6.2
247.16975	7.3
248.14088	9.6
249.16495	6.5
253.15762	4.3
255.17435	20.5
257.15689	3.8
259.14743	4.4
259.94357	4.3
261.16489	11.0
263.14236	4.6
263.17831	4.1
270.19843	4.8
274.19315	7.3
279.17288	4.2
281.19000	6.9
283.14478	3.8
285.07404	4.1
285.18469	4.5
286.19327	12.5
287.20078	12.0
295.20490	4.3
297.18439	7.8
299.20166	5.3
303.19568	39.4
306.93527	3.7
312.20804	4.8
313.21631	9.6
325.21500	11.2
337.21683	7.5
341.13727	4.6
352.23926	64.2
353.24176	4.8
355.15445	9.2
356.16040	13.7
365.24701	15.3
377.24658	6.0
383.25800	4.5
387.17950	9.5
502.33981	8.0
503.35162	8.5
505.32779	7.5
507.34500	6.0
520.35455	37.8
600.41351	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.3
53.03937	2.6
53.91545	1.1
55.01888	1.0
55.05508	8.4
56.98408	1.1
57.03453	1.5
57.07075	12.1
59.04991	3.7
59.05475	1.0
63.74121	1.0
65.03928	1.9
66.35683	1.0
67.05506	13.1
69.03417	7.7
69.07078	8.2
69.90044	1.1
71.04989	2.3
71.30069	1.4
77.03916	1.3
79.05489	15.0
81.07058	21.6
83.04975	7.9
83.08620	2.8
85.06534	6.8
89.06026	3.3
91.05479	30.0
92.06300	1.6
93.07040	35.7
95.04971	9.4
95.08605	22.9
95.09163	2.1
97.06531	4.8
103.05465	2.7
105.07027	51.0
106.07864	1.6
107.04964	3.4
107.08594	22.9
107.79750	1.4
109.06525	12.1
109.10162	7.6
111.08030	1.6
115.05448	4.2
116.06236	1.3
117.07021	12.4
119.04960	1.2
119.08578	55.1
120.09399	1.2
121.06519	8.5
121.10147	24.3
122.07314	2.1
123.08062	18.6
123.08921	1.4
123.11710	2.0
125.05986	13.2
128.06239	4.8
129.06982	10.2
130.07780	4.9
131.08565	23.7
132.09407	2.6
133.06506	4.4
133.08612	1.6
133.10130	23.0
133.11057	2.1
134.85475	1.0
135.08051	18.5
135.11702	6.9
137.05994	3.1
137.09619	14.3
139.07567	3.8
141.07019	4.9
142.07745	11.0
143.08572	21.6
144.09320	7.3
145.06468	2.3
145.10118	43.1
146.10493	1.9
147.08035	27.9
147.11665	7.3
148.08597	1.4
149.09612	12.6
151.07535	11.5
153.06941	1.6
154.07802	1.1
155.08580	8.8
156.09351	10.9
157.10121	33.3
158.10898	5.8
159.08089	8.1
159.11681	22.1
160.08881	3.2
160.12466	1.4
161.09639	12.7
161.13202	7.3
163.11179	19.8
165.06985	1.9
165.09111	50.4
166.09459	2.2
167.08565	4.6
168.09332	2.7
169.10117	13.2
170.10953	6.0
171.08012	2.2
171.11687	19.6
172.12460	3.7
173.09642	8.4
173.13264	9.9
175.11179	22.4
175.14746	2.4
177.09106	3.5
177.12848	1.4
178.09921	1.8
179.08534	2.8
179.10738	2.7
180.09413	2.0
180.11446	3.5
181.10147	8.2
181.12221	16.2
182.10855	4.7
183.11687	12.7
184.12451	3.6
185.09741	2.4
185.13257	8.7
186.10454	2.3
186.13974	1.6
187.11188	5.2
187.14833	3.9
188.11914	1.8
189.12727	6.8
190.13525	9.4
191.10645	5.6
191.14340	3.2
192.09396	1.8
192.11501	1.4
193.10178	4.9
193.12263	14.4
194.10925	3.0
194.12691	1.2
195.11728	10.7
195.13477	2.2
196.12491	3.2
197.09634	2.6
197.13222	11.2
198.10286	1.9
198.13962	1.5
199.11165	5.8
199.14807	3.1
200.11984	1.6
201.12712	7.2
201.16321	1.4
202.13354	1.2
203.14310	21.4
204.14767	1.5
205.10309	1.5
205.12259	1.6
206.10851	1.8
207.11655	5.9
207.13814	11.8
208.12471	3.5
208.14578	8.8
209.09686	1.5
209.13263	9.4
209.15108	2.1
210.10355	1.7
210.14009	1.4
211.11192	4.2
211.14743	8.6
212.11911	1.6
212.15550	1.8
213.12679	5.9
213.16457	1.3
214.13469	1.3
215.14278	3.4
216.15056	1.8
217.12158	1.4
219.11835	1.9
219.13828	7.5
221.13438	3.5
221.15355	100.0
222.15733	8.5
223.11243	2.3
223.14848	4.7
225.12689	3.2
225.16443	3.2
227.14336	2.8
229.12247	3.0
229.15892	3.8
231.13873	2.7
233.13237	3.0
233.15372	3.5
234.16135	20.8
235.14867	3.1
237.12753	3.9
237.16467	2.7
239.14316	3.4
239.18076	1.9
241.15898	4.3
243.13896	2.7
245.13254	1.8
245.15497	2.5
246.14101	1.6
247.14857	1.5
247.16927	29.2
248.17525	2.6
249.16389	2.3
251.14299	2.5
253.15923	3.7
255.17368	2.1
257.15466	2.2
259.17017	4.9
260.17661	2.3
261.18564	2.5
265.15900	1.4
267.17429	2.5
269.15329	2.1
271.16943	3.4
273.18527	3.2
274.19241	12.9
275.17963	1.3
279.17508	2.2
281.19031	3.6
285.18466	4.5
286.19272	4.0
287.20096	11.5
295.20383	1.4
297.18573	2.7
299.20053	13.8
300.20688	4.0
307.20401	2.6
310.19193	2.9
311.19983	3.2
312.20822	6.7
313.21536	6.8
323.19839	1.4
325.21652	11.9
326.22302	2.5
327.23126	3.8
337.21591	3.3
339.23151	5.0
340.23907	14.8
351.23248	1.5
352.23950	22.0
353.24579	3.7
365.24774	4.5
366.25488	4.6
367.26376	1.3
377.24765	2.7
379.26291	3.8
387.25336	4.4
391.26312	4.2
392.26831	3.8
400.26047	1.8
402.27713	2.4
413.26797	4.1
419.29437	11.4
420.30020	4.3
425.26743	7.7
426.27533	2.8
427.28394	14.3
428.28751	1.5
440.29214	40.6
441.29648	3.5
442.30905	4.4
491.34637	1.3
494.33975	1.6
505.33337	1.4
507.34311	2.4
508.35342	6.5
520.27875	2.0
520.35419	25.0
521.35828	4.0
583.41510	2.4
585.39307	4.2
600.41565	23.1
601.42328	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	1.6
52.40262	2.0
52.61660	1.8
53.03942	5.0
55.01870	2.4
55.05510	15.0
56.84156	2.3
57.07073	13.7
59.04999	3.6
65.03957	4.1
67.05505	25.3
67.80431	2.2
69.03431	15.7
69.07068	16.8
69.14213	15.0
71.04987	3.7
79.05492	33.8
80.06249	1.6
81.07057	34.0
83.04979	17.4
83.08624	8.6
85.06555	6.5
89.06026	8.6
91.05479	54.5
93.07046	70.5
95.04980	18.4
95.08610	34.2
97.06506	9.7
97.10188	2.3
102.24765	2.0
103.05448	4.5
105.04540	3.4
105.07032	100.0
106.07333	3.6
107.04990	4.7
107.08593	57.7
109.06512	20.8
109.10162	17.1
111.08062	6.6
115.05457	7.7
117.07021	21.3
119.04948	3.1
119.08582	74.7
120.09422	2.5
121.06491	14.5
121.10138	39.8
122.07273	2.1
123.07258	3.4
123.08071	28.3
123.11755	3.5
125.06004	5.6
125.09623	7.1
128.06212	16.8
128.16779	1.8
129.07016	26.8
130.07819	10.5
131.02141	1.8
131.03125	1.7
131.08563	43.0
131.09485	3.0
132.09445	1.9
133.06480	8.5
133.08620	4.0
133.10127	43.1
135.08046	23.2
135.11684	14.6
137.05956	5.1
137.09604	16.6
139.07516	3.1
139.11177	3.2
141.06966	12.5
142.07787	28.5
143.08568	52.6
144.09346	16.6
145.06496	5.8
145.10132	58.3
146.10732	2.0
147.08035	38.9
147.11690	15.5
148.08803	2.4
149.09622	19.0
149.13231	3.2
151.07539	19.7
152.06190	2.0
153.07037	4.7
153.09203	1.8
154.07750	5.0
155.08565	22.7
155.10646	2.2
156.09352	23.8
157.10133	70.1
158.07277	3.5
158.10890	9.9
159.08058	20.9
159.11697	33.5
160.08789	5.4
160.12305	2.3
161.09630	23.1
161.13261	7.9
163.11211	15.6
165.07027	10.4
165.09109	47.4
166.07732	4.0
167.08614	11.2
167.10640	17.3
168.09317	6.0
169.10120	30.4
170.10875	13.2
171.08063	4.6
171.11694	36.6
172.08766	3.4
172.12411	6.6
173.09631	13.0
173.13231	19.0
174.10411	3.3
175.11197	25.8
175.14780	6.2
177.09096	3.9
177.12706	3.6
179.08563	12.8
179.10728	3.5
180.09332	7.6
180.11415	2.3
181.10114	18.8
181.12177	10.7
182.10938	12.1
183.08084	3.1
183.11685	29.4
184.12405	5.8
185.09621	7.8
185.13251	20.5
187.11171	12.2
187.14835	6.2
189.09024	2.5
189.12737	13.4
190.13535	12.9
191.10699	2.8
191.14264	5.3
192.09311	2.5
193.10452	11.5
193.11949	11.4
194.10872	7.9
195.11702	26.3
196.12531	9.0
197.09657	6.2
197.11667	2.7
197.13281	17.3
198.10527	3.9
198.13966	4.5
199.11201	12.8
199.14832	8.0
200.11835	2.0
201.12706	8.1
201.16289	3.1
203.08638	2.9
203.14316	24.7
205.10091	2.3
205.12268	2.3
206.10934	7.7
207.11713	18.4
207.13834	14.0
208.12428	8.3
208.14595	8.1
209.13266	18.0
209.15285	4.3
210.13991	4.5
211.11223	6.8
211.14774	11.5
212.11748	3.4
213.12769	11.4
213.16457	2.9
215.14317	6.4
217.10229	3.5
217.12160	2.9
218.16536	2.2
219.11729	6.0
219.13882	5.8
220.12476	4.6
221.13272	11.3
221.15332	78.2
222.13911	3.4
222.15872	4.2
223.11211	6.3
223.14749	13.5
225.12743	8.2
225.16414	8.8
227.14311	6.0
229.12134	2.3
229.15857	3.4
231.11655	4.8
231.13734	3.1
232.12494	4.7
233.13269	6.7
233.15376	14.3
234.13962	5.2
234.16203	10.2
235.15045	10.0
236.15602	2.4
237.12633	5.1
237.14650	25.2
237.16992	2.9
239.14383	3.5
239.17973	2.6
243.14285	2.0
243.17395	2.3
245.13292	3.9
246.13913	2.9
247.14789	5.9
247.16989	7.7
248.13989	8.8
249.16368	7.3
251.14139	3.0
251.18080	2.1
253.15935	5.1
253.19566	2.5
255.17430	20.4
259.14682	5.1
260.15414	2.1
261.16412	5.5
263.17896	2.8
265.15948	4.1
267.17621	4.6
268.18115	3.8
269.18967	3.6
270.19754	5.7
271.16980	6.2
274.19305	10.1
275.17883	2.2
277.19464	2.0
279.17484	6.0
281.18994	5.3
285.18613	3.1
286.19479	12.1
287.20078	10.1
289.19479	3.8
294.19794	3.2
295.20505	4.2
297.18597	2.2
298.19409	2.4
299.20197	15.1
300.20847	3.3
303.19547	48.3
307.20615	2.8
309.18549	3.5
310.19220	3.2
312.20810	6.4
313.21725	14.3
319.20593	4.6
322.22916	2.8
325.21585	11.0
337.21661	10.6
352.23969	76.0
353.24298	5.5
355.15329	2.1
359.23840	2.3
365.24741	16.5
377.24545	5.5
383.25861	3.3
387.57092	2.2
420.30103	3.6
439.27682	2.3
502.34216	11.1
503.34845	6.1
505.32843	7.6
507.34460	10.3
508.35086	3.3
520.35455	31.8
521.35651	4.1
567.37744	2.2
582.40338	3.5
583.41150	3.3
585.39380	2.6
600.41382	15.7
601.27539	2.4
601.42334	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.1
55.01880	3.9
55.05506	23.6
57.07084	15.4
59.05005	3.1
63.83156	2.8
65.03932	7.5
67.05507	40.9
69.03430	17.4
69.07074	21.5
71.04996	7.7
71.08637	6.9
71.31367	4.0
77.03947	3.2
79.05499	39.0
81.03402	4.0
81.07053	50.1
83.04989	17.9
83.08611	17.1
85.06510	7.4
86.00697	3.4
87.04475	5.3
89.06040	40.1
91.05481	60.8
93.07051	68.9
95.04988	21.9
95.08617	35.1
97.06538	16.2
103.05467	6.3
105.04544	4.1
105.07030	100.0
107.04974	4.3
107.08594	77.4
108.08861	3.0
109.06540	20.5
109.10163	34.8
111.08081	6.5
111.11708	3.6
113.09658	5.3
115.05502	7.1
116.06231	3.3
117.07020	19.8
119.08587	88.2
121.06525	10.7
121.10151	63.8
122.10468	3.6
123.08074	33.4
123.11703	10.2
125.09630	12.2
128.06221	17.2
129.07013	25.6
130.07773	5.5
131.08585	48.6
133.06537	6.8
133.08615	28.4
133.10126	51.9
135.08055	19.2
135.11710	20.4
136.06186	39.2
137.09615	14.9
139.11205	5.4
141.07030	9.1
142.07777	23.4
143.08574	60.1
144.09332	12.9
145.06500	6.1
145.10132	66.0
146.10732	3.2
147.08049	17.6
147.11700	29.3
149.09641	14.8
149.13252	3.8
151.07544	7.7
151.11301	4.4
153.06969	4.7
154.07770	3.7
155.08585	19.1
155.10669	16.7
156.09344	24.1
157.10132	70.8
158.10880	11.3
159.08080	20.0
159.11699	43.6
160.08804	5.5
161.09618	15.1
161.13248	11.5
163.11192	11.5
165.06970	9.5
165.09152	7.7
166.07806	6.5
167.08546	13.9
167.10712	30.7
168.09346	7.6
169.10123	38.1
170.10899	9.0
171.08070	4.8
171.11696	42.7
172.12369	5.2
173.09680	17.0
173.13278	28.3
175.11232	17.8
175.14850	10.4
176.11578	3.4
177.11253	13.1
178.07794	3.8
178.13168	3.3
179.08585	11.5
180.09293	6.8
181.10123	21.7
181.12248	3.9
182.10951	10.6
183.11702	38.8
184.12468	11.5
185.09665	7.0
185.13290	29.4
186.14046	5.2
187.11189	9.1
187.14883	12.6
189.12787	9.8
190.13545	8.7
191.08559	4.7
191.14388	6.2
192.09337	5.3
193.10118	20.2
194.10864	9.5
195.11688	29.1
196.12450	8.7
197.13264	31.6
198.13898	3.5
199.11220	9.5
199.14813	18.9
201.12784	7.1
203.14293	16.7
206.10909	10.6
207.11716	18.6
207.13870	8.9
208.12473	7.1
209.13306	28.4
209.15134	5.6
210.14027	8.2
211.14732	19.9
212.22766	3.3
213.12790	12.7
213.16400	10.2
214.13690	3.8
215.14383	12.0
217.15974	7.5
219.11691	7.5
219.13704	7.0
220.12482	7.0
221.13318	18.9
221.15431	22.8
223.14844	19.6
225.12730	8.4
225.16478	9.2
227.14369	8.5
229.15907	5.6
231.13805	3.4
232.12457	3.5
233.13257	9.6
233.15431	24.3
234.13919	5.3
234.16115	9.6
235.14861	11.7
237.12778	4.5
237.16438	17.4
239.14398	3.6
239.18013	7.4
241.15869	4.2
245.13237	3.5
246.13982	5.4
246.16217	5.4
247.14885	8.8
248.15565	4.6
249.16435	10.5
251.17975	6.7
253.15929	6.0
253.19342	5.1
255.17421	35.2
256.17987	3.6
258.14020	3.1
259.14667	7.1
261.16431	11.0
263.17944	9.2
265.19412	4.2
267.17358	3.6
268.18222	4.0
269.19061	8.6
270.19812	7.0
273.18539	8.2
275.18039	4.7
277.19482	5.7
281.18951	7.4
285.18616	5.8
286.19070	4.7
287.20139	4.8
289.19382	5.8
294.19727	4.0
295.20590	5.7
299.20102	5.8
325.21796	4.5
335.23849	4.7
345.22156	4.8
347.23563	4.6
360.24542	6.0
365.24573	5.0
383.25708	7.5
415.25208	6.6
600.34100	5.5
600.42108	9.0
601.42169	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53970	1.5
53.03938	5.2
55.01868	3.8
55.05519	19.3
57.07058	7.1
59.04994	4.7
63.29847	1.5
65.03942	7.1
67.05507	33.6
69.03430	10.7
69.07070	20.7
69.14717	1.5
70.84387	2.7
71.04977	5.8
77.03912	2.3
79.05495	39.8
80.06264	1.7
81.03434	1.7
81.07060	42.1
83.04987	17.8
83.08623	13.8
85.02905	2.9
85.06543	7.2
87.04460	3.8
89.06023	5.3
91.05482	55.9
92.55911	1.6
93.06464	3.6
93.07048	73.7
95.04980	24.6
95.08603	32.0
97.06538	14.4
97.10162	2.7
103.05480	5.7
104.06207	2.3
105.04523	2.5
105.07030	100.0
106.07885	2.1
107.04963	6.3
107.08593	68.3
109.06525	18.5
109.10164	32.3
111.04451	2.1
111.08110	8.0
113.09618	5.1
115.05428	9.5
115.95057	1.8
116.06236	3.6
117.07028	29.2
119.08580	92.5
120.08875	2.6
121.06499	12.1
121.10145	67.6
122.10555	1.9
123.08071	34.1
123.11697	8.7
125.06034	2.2
125.09632	13.1
128.06230	20.1
129.07018	31.0
130.07838	12.0
131.08568	51.2
132.09253	3.4
133.06505	7.7
133.07608	2.3
133.08620	3.5
133.10132	54.4
135.08034	20.7
135.11707	14.4
136.08842	2.3
137.09628	10.9
137.60309	1.6
139.11176	4.7
141.06981	11.7
142.07780	35.3
143.08572	59.3
144.09354	13.6
145.06477	8.0
145.10127	74.5
146.07315	3.0
146.10762	3.0
147.08061	19.1
147.11707	22.6
148.08850	1.8
149.09624	22.5
149.13315	3.0
150.10292	1.9
151.07539	10.7
151.11224	1.8
153.07004	6.7
153.09059	3.3
154.07764	5.9
155.08565	23.1
155.10587	10.3
156.09354	29.9
157.10127	72.0
157.11429	3.7
158.10925	14.4
159.08069	23.1
159.11690	50.6
160.08775	4.2
161.09630	18.3
161.13275	8.2
163.07492	2.1
163.11205	12.8
165.06989	13.4
165.09108	9.5
166.07748	6.3
167.08575	14.8
167.10658	16.9
168.09406	12.0
169.10124	37.7
170.10884	14.3
171.08098	4.2
171.11693	52.5
172.08842	3.5
172.12425	5.8
173.09660	13.2
173.13264	28.2
174.10251	2.1
175.11192	18.8
175.14841	7.7
177.09111	3.9
177.12680	3.3
178.07791	3.0
179.08549	19.0
179.10602	3.0
179.14381	1.8
180.09361	9.4
181.10115	23.5
181.12196	4.7
182.10954	14.8
183.08069	1.9
183.11696	32.7
184.12440	8.8
185.09607	5.7
185.13266	29.7
185.14838	1.6
186.13847	4.8
187.11191	8.8
187.14804	9.2
189.12732	7.9
190.09641	1.9
190.13499	5.8
191.08534	2.8
191.10591	2.1
191.14348	4.7
192.09293	7.3
193.10136	24.2
193.12183	5.3
194.10873	12.3
195.08018	2.1
195.11700	32.5
196.08934	2.5
196.12489	12.0
197.09599	6.6
197.11583	2.9
197.13261	26.4
198.13908	3.7
199.11174	6.7
199.14809	17.7
200.12004	2.0
200.15497	1.9
201.12727	8.8
201.16267	4.4
202.13382	2.2
203.08519	2.3
203.14278	14.4
205.10141	5.7
206.10912	7.2
207.11682	21.1
207.13809	7.9
208.12469	9.5
209.13258	29.6
210.14030	5.6
211.11304	8.4
211.14789	24.4
212.12021	2.4
213.12730	8.9
213.16190	8.2
215.14320	11.5
216.09319	1.9
216.14856	2.6
217.10132	4.2
217.15886	2.8
218.10841	2.9
218.16628	2.2
219.11696	9.2
219.13686	3.8
220.12440	6.4
221.13229	17.5
221.15388	23.7
222.14001	5.0
223.11266	2.4
223.14830	20.8
224.15494	3.0
225.12787	9.3
225.16354	10.7
227.14206	8.9
229.15814	4.1
230.10802	3.3
231.11647	4.9
232.12334	3.2
233.13199	9.3
233.15373	27.9
234.13928	5.4
234.16095	7.9
235.14798	13.8
236.15527	3.1
237.12773	2.6
237.16579	13.1
238.16788	2.0
239.14262	5.1
239.17892	3.8
240.14876	2.4
241.15858	5.0
243.11763	3.5
244.12494	2.9
245.13242	7.0
245.15442	2.9
246.13942	3.4
246.16240	3.0
247.14876	8.9
247.16913	3.0
248.15619	4.0
249.16405	10.6
251.14380	3.4
251.17847	5.7
253.15883	4.5
253.19316	2.4
255.17415	38.0
256.17630	2.2
257.13220	3.4
257.19016	2.2
258.13959	2.8
259.14792	6.3
260.15549	4.9
261.16470	9.2
262.16977	2.9
263.17896	8.3
265.15793	3.0
265.19489	6.4
267.17374	5.6
268.18289	2.8
269.19000	5.1
270.19708	5.3
271.20639	2.4
273.16016	3.1
273.18524	7.2
275.17911	4.9
277.15988	2.3
277.19513	5.3
279.17398	3.2
281.18945	7.6
282.19638	3.1
283.20291	3.8
285.18460	5.0
286.19247	3.9
287.17514	4.0
287.20078	4.8
289.19498	4.3
291.17288	2.5
293.19052	2.8
295.20599	4.2
299.20447	8.2
301.19501	2.3
303.19769	1.9
305.18909	2.5
307.20639	2.9
308.20993	2.4
309.22031	2.5
313.21741	3.7
315.20911	2.8
325.21738	4.8
333.21921	2.9
334.23044	2.4
337.21649	2.5
347.23825	2.6
352.23947	7.3
355.15332	4.9
361.25125	2.9
365.24692	8.1
383.25809	6.4
520.35443	2.7
600.41382	10.4
601.34979	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.1
55.01880	3.9
55.05506	23.6
57.07084	15.4
59.05005	3.1
63.83156	2.8
65.03932	7.5
67.05507	40.9
69.03430	17.4
69.07074	21.5
71.04996	7.7
71.08637	6.9
71.31367	4.0
77.03947	3.2
79.05499	39.0
81.03402	4.0
81.07053	50.1
83.04989	17.9
83.08611	17.1
85.06510	7.4
86.00697	3.4
87.04475	5.3
89.06040	40.1
91.05481	60.8
93.07051	68.9
95.04988	21.9
95.08617	35.1
97.06538	16.2
103.05467	6.3
105.04544	4.1
105.07030	100.0
107.04974	4.3
107.08594	77.4
108.08861	3.0
109.06540	20.5
109.10163	34.8
111.08081	6.5
111.11708	3.6
113.09658	5.3
115.05502	7.1
116.06231	3.3
117.07020	19.8
119.08587	88.2
121.06525	10.7
121.10151	63.8
122.10468	3.6
123.08074	33.4
123.11703	10.2
125.09630	12.2
128.06221	17.2
129.07013	25.6
130.07773	5.5
131.08585	48.6
133.06537	6.8
133.08615	28.4
133.10126	51.9
135.08055	19.2
135.11710	20.4
136.06186	39.2
137.09615	14.9
139.11205	5.4
141.07030	9.1
142.07777	23.4
143.08574	60.1
144.09332	12.9
145.06500	6.1
145.10132	66.0
146.10732	3.2
147.08049	17.6
147.11700	29.3
149.09641	14.8
149.13252	3.8
151.07544	7.7
151.11301	4.4
153.06969	4.7
154.07770	3.7
155.08585	19.1
155.10669	16.7
156.09344	24.1
157.10132	70.8
158.10880	11.3
159.08080	20.0
159.11699	43.6
160.08804	5.5
161.09618	15.1
161.13248	11.5
163.11192	11.5
165.06970	9.5
165.09152	7.7
166.07806	6.5
167.08546	13.9
167.10712	30.7
168.09346	7.6
169.10123	38.1
170.10899	9.0
171.08070	4.8
171.11696	42.7
172.12369	5.2
173.09680	17.0
173.13278	28.3
175.11232	17.8
175.14850	10.4
176.11578	3.4
177.11253	13.1
178.07794	3.8
178.13168	3.3
179.08585	11.5
180.09293	6.8
181.10123	21.7
181.12248	3.9
182.10951	10.6
183.11702	38.8
184.12468	11.5
185.09665	7.0
185.13290	29.4
186.14046	5.2
187.11189	9.1
187.14883	12.6
189.12787	9.8
190.13545	8.7
191.08559	4.7
191.14388	6.2
192.09337	5.3
193.10118	20.2
194.10864	9.5
195.11688	29.1
196.12450	8.7
197.13264	31.6
198.13898	3.5
199.11220	9.5
199.14813	18.9
201.12784	7.1
203.14293	16.7
206.10909	10.6
207.11716	18.6
207.13870	8.9
208.12473	7.1
209.13306	28.4
209.15134	5.6
210.14027	8.2
211.14732	19.9
212.22766	3.3
213.12790	12.7
213.16400	10.2
214.13690	3.8
215.14383	12.0
217.15974	7.5
219.11691	7.5
219.13704	7.0
220.12482	7.0
221.13318	18.9
221.15431	22.8
223.14844	19.6
225.12730	8.4
225.16478	9.2
227.14369	8.5
229.15907	5.6
231.13805	3.4
232.12457	3.5
233.13257	9.6
233.15431	24.3
234.13919	5.3
234.16115	9.6
235.14861	11.7
237.12778	4.5
237.16438	17.4
239.14398	3.6
239.18013	7.4
241.15869	4.2
245.13237	3.5
246.13982	5.4
246.16217	5.4
247.14885	8.8
248.15565	4.6
249.16435	10.5
251.17975	6.7
253.15929	6.0
253.19342	5.1
255.17421	35.2
256.17987	3.6
258.14020	3.1
259.14667	7.1
261.16431	11.0
263.17944	9.2
265.19412	4.2
267.17358	3.6
268.18222	4.0
269.19061	8.6
270.19812	7.0
273.18539	8.2
275.18039	4.7
277.19482	5.7
281.18951	7.4
285.18616	5.8
286.19070	4.7
287.20139	4.8
289.19382	5.8
294.19727	4.0
295.20590	5.7
299.20102	5.8
325.21796	4.5
335.23849	4.7
345.22156	4.8
347.23563	4.6
360.24542	6.0
365.24573	5.0
383.25708	7.5
415.25208	6.6
600.34100	5.5
600.42108	9.0
601.42169	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.8
53.03945	0.9
55.05499	2.8
57.07067	2.6
59.05002	1.1
67.05499	5.1
68.89542	0.7
69.03434	3.1
69.07055	2.9
69.18462	1.2
69.18871	4.7
79.05497	5.2
81.07058	7.5
83.04982	3.9
83.08614	1.6
85.06541	0.9
91.05474	8.7
92.06287	0.8
93.00414	0.6
93.07050	13.0
93.43430	0.6
95.04939	5.1
95.08601	7.6
97.06526	2.0
98.22617	1.4
98.23257	2.1
101.60889	0.7
103.05447	1.1
103.97308	0.7
104.06377	0.7
105.07017	15.6
105.07671	1.2
107.08601	9.8
109.06517	3.8
109.10136	3.9
111.08030	0.9
115.05448	1.6
117.07025	3.5
119.08571	14.3
120.09308	1.1
121.06519	3.1
121.10140	9.0
123.08068	4.8
123.11703	1.6
125.05973	1.7
125.09645	1.7
128.06232	1.9
129.07005	4.5
130.07771	2.4
131.08571	7.1
133.06476	1.9
133.10135	9.1
135.08047	5.9
135.11682	3.2
137.09637	3.1
139.07426	0.8
141.06979	1.6
142.07802	5.5
143.08560	10.4
144.09344	2.1
145.06516	0.8
145.10109	12.4
146.10675	0.9
147.08038	6.9
147.11708	3.5
149.09599	4.6
151.07535	5.0
153.06911	0.7
153.12845	0.7
155.08554	4.0
156.09325	4.4
157.10117	14.9
158.10957	2.0
159.08028	3.8
159.11678	9.6
161.09608	5.9
161.13293	2.6
163.11131	4.0
165.06940	1.3
165.09105	10.4
167.07202	0.9
167.08562	2.8
167.10660	3.0
168.09361	1.1
168.10956	0.8
169.10143	5.5
170.10945	1.3
171.11697	8.9
172.12383	1.1
173.09615	3.7
173.13264	4.8
174.10413	1.3
175.11179	6.9
175.14886	1.5
177.09041	0.7
177.12691	1.1
179.08553	1.6
180.09323	1.4
181.10094	3.3
181.12227	2.9
182.10857	1.7
183.11678	5.2
184.12389	2.0
185.09642	1.3
185.13243	5.7
187.11163	2.4
187.14879	1.2
189.12749	3.7
190.13480	2.9
191.14220	1.4
193.10141	2.6
193.12276	2.3
194.10954	1.3
195.11667	5.2
196.12474	1.7
197.09636	1.7
197.13214	4.0
198.10281	0.8
198.13998	0.8
199.11180	2.2
199.14821	1.5
200.12016	0.8
201.09082	1.4
201.12682	2.0
201.16280	0.9
202.09763	1.6
203.14293	7.0
206.10878	1.2
207.11729	2.8
207.13808	4.7
208.12486	2.1
208.14499	1.7
209.09625	0.9
209.13306	3.9
209.15059	0.9
211.07709	0.8
211.11063	1.5
211.14859	2.1
213.12724	2.2
213.16325	0.9
215.14401	2.0
219.07996	1.1
219.11720	1.0
219.13779	2.1
220.08907	0.9
220.12369	1.0
221.13237	3.2
221.15317	19.0
223.14830	2.6
224.08311	0.7
224.11838	1.0
224.15536	0.8
225.12700	1.7
225.16399	1.9
227.14232	0.9
229.16039	0.8
231.11792	1.2
231.13805	0.9
233.13170	1.7
233.15363	5.4
234.16109	2.1
235.11159	2.2
235.14745	1.8
236.15550	0.8
237.09137	1.3
237.12643	1.1
237.14644	7.8
239.07047	1.2
239.17944	0.9
240.14981	0.9
241.04968	1.0
241.12199	0.9
245.13153	0.9
246.14005	0.8
247.07594	0.8
247.14780	1.2
247.16948	3.1
248.08394	2.1
248.13828	3.5
249.09120	3.0
249.16389	1.5
250.09695	0.8
251.10710	1.4
252.11543	1.2
253.15910	1.2
255.17419	5.8
256.07367	1.5
256.18005	0.7
259.14749	1.1
261.16302	1.9
263.10681	4.7
263.18146	1.0
264.11481	1.8
265.08600	4.4
265.15710	1.2
265.19354	1.0
266.09222	1.2
266.16373	0.8
267.13806	1.6
269.19040	0.9
270.19662	0.9
271.09802	1.4
271.16934	2.0
274.19241	2.1
275.17825	0.9
277.08554	5.7
278.09204	1.3
279.10223	1.7
279.17343	1.5
280.10962	6.9
281.11636	1.7
281.18896	1.9
282.08841	0.8
283.17197	0.8
284.06940	1.2
285.18475	1.1
286.19189	3.0
287.20102	3.0
291.10040	1.2
292.10934	1.0
293.08139	1.9
293.11530	1.4
294.12292	1.1
295.13260	8.5
295.20383	1.4
296.13901	1.0
297.11163	1.1
297.18570	1.5
299.20074	3.1
303.19556	10.6
308.10345	2.2
309.11188	6.6
310.11526	0.9
310.19415	0.9
312.20819	1.8
313.21750	3.9
323.12720	7.7
324.13406	7.5
325.10617	2.6
325.14182	1.8
325.21573	3.8
327.15714	1.1
337.21597	2.0
340.13098	3.8
347.23685	0.9
352.23941	21.6
353.24451	1.9
355.15381	100.0
356.15936	13.9
357.16434	1.0
365.24734	4.8
377.24744	1.5
383.25775	1.2
387.18027	12.3
388.17880	0.8
487.32111	1.4
502.34229	1.8
503.34882	2.2
505.33398	0.8
507.34683	3.2
508.34406	0.9
520.35443	9.6
521.35815	1.3
567.37885	0.8
583.41461	1.3
585.39319	1.2
600.41583	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47051	0.7
55.05512	3.7
55.05726	0.7
57.07077	35.6
63.67080	0.6
67.05495	3.1
69.04561	0.8
69.07058	3.8
69.09578	3.8
69.10000	2.8
71.08632	28.0
73.06557	9.3
79.05493	2.1
81.07066	3.5
83.04993	1.4
83.08646	3.6
85.10181	17.0
87.04467	5.9
89.06031	100.0
90.06377	1.5
91.05494	1.9
91.07628	1.0
93.07075	4.4
95.04978	1.0
95.08596	1.9
97.10180	3.5
98.23458	0.7
99.11737	3.2
105.07038	5.2
107.07063	2.6
107.08582	3.4
109.10160	2.1
111.11719	2.9
113.13297	1.7
117.06988	0.8
117.09113	5.4
119.08556	3.6
121.10149	3.0
123.08098	1.4
127.14817	1.0
129.07004	1.0
130.08659	1.7
131.07060	1.7
131.08559	1.6
133.08601	47.9
133.10188	3.0
135.08078	0.8
142.07809	1.8
143.08571	1.9
145.10104	4.0
147.11703	1.3
155.08601	1.2
156.09377	1.4
157.10168	3.3
159.08086	1.3
159.11749	1.7
161.09624	0.8
161.11653	0.8
167.10712	1.2
169.10236	1.0
169.19489	3.7
171.11722	1.6
173.13364	1.0
177.11223	19.0
178.11638	1.2
179.08582	1.0
182.10890	0.7
183.11768	0.8
185.05000	0.7
185.13210	1.1
187.14908	1.0
189.12637	1.2
189.16537	0.8
195.11729	1.4
197.13330	1.6
199.14772	1.1
207.11565	1.1
209.13338	1.1
211.14883	1.3
213.22180	2.4
221.13730	3.5
239.14812	1.0
249.37454	0.8
255.17465	1.3
257.24686	6.3
265.16507	0.9
283.17538	1.4
301.27362	4.2
309.19287	1.1
316.13208	0.7
327.20078	0.9
368.54337	0.7
371.22867	0.7
409.16360	2.0
415.25415	3.2
417.14005	0.9
517.97601	0.8
541.70667	0.8
583.44733	3.7
585.50049	0.9
599.29498	0.9
601.27356	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01609	0.9
51.02380	1.4
53.03948	7.3
55.05514	22.1
59.67703	0.7
67.05508	1.1
69.14127	4.0
69.14551	2.2
75.72232	0.7
77.03934	1.8
81.07056	0.7
83.04987	18.2
91.05459	0.8
95.04979	8.1
95.08616	1.2
104.10741	1.3
105.03396	100.0
105.04537	4.4
106.03732	2.6
149.56075	0.6
170.25381	0.9
201.60219	0.8
219.08008	1.3
220.08997	1.2
226.06227	2.2
248.08282	1.1
263.06995	2.6
275.07034	1.6
276.07642	1.4
287.06961	0.9
288.07883	1.0
289.08646	2.0
290.09665	0.8
291.06549	1.7
291.09897	0.9
293.07980	1.3
303.06516	1.7
304.07208	1.2
305.08142	2.5
306.08862	1.9
317.07999	1.7
318.08734	4.1
319.09662	2.6
320.10303	0.8
321.11349	1.7
326.11539	2.7
332.06845	1.4
333.07477	6.6
334.08160	2.1
337.10742	1.1
347.09134	2.3
348.09970	10.9
349.06982	1.4
349.10672	9.0
351.08527	1.6
351.12296	2.6
357.13278	2.4
364.09464	1.5
371.20917	0.8
379.11783	23.5
380.12146	1.7
397.12759	0.9
441.13324	1.2
471.14493	7.5
601.37146	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45795	0.3
57.32006	0.3
69.08898	0.9
69.09306	1.9
96.99043	0.7
100.91790	0.3
111.73317	0.3
127.00105	0.8
177.01599	0.4
190.86980	0.3
195.02841	0.4
199.11075	0.5
202.09801	0.4
203.10484	0.9
204.11194	0.4
211.05977	0.4
229.12053	0.8
241.40080	0.3
242.16460	0.4
253.15561	0.5
254.16316	1.5
273.11203	0.7
277.10663	0.3
284.17654	0.4
291.12012	11.3
292.12460	1.0
299.16220	0.3
303.08313	0.4
313.14029	2.1
319.11594	0.7
343.15079	1.0
363.10715	1.6
381.11685	0.8
435.16296	2.1
436.16992	0.4
437.17609	0.4
481.22006	0.6
491.20538	0.5
508.03860	0.3
509.21658	1.5
511.23376	0.5
521.21033	0.4
529.24561	0.4
537.21429	0.5
539.22626	1.1
555.21973	0.9
573.23004	0.8
583.21765	1.0
601.22565	100.0
602.22943	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82986	0.2
52.52208	0.2
56.58810	0.2
71.30871	0.5
80.69724	0.2
81.07108	0.3
100.11302	0.4
121.06519	0.3
123.04453	0.3
137.05991	0.8
139.03737	0.3
151.03981	0.4
158.10513	0.3
167.07085	1.0
170.44684	0.3
206.35042	0.3
221.97433	0.3
239.11896	0.3
265.10934	0.4
273.38730	0.3
282.33707	0.3
443.12921	0.4
463.17352	0.5
481.18558	0.5
503.20435	0.3
521.21594	0.7
522.32306	0.3
527.22852	0.4
537.21161	0.4
539.22729	1.1
557.24402	0.3
583.21564	2.5
601.22467	100.0
602.22858	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73203	0.3
55.05511	0.5
59.81421	0.2
69.82686	0.9
69.83098	0.5
74.96585	0.2
81.39747	0.2
100.11288	0.5
111.04386	0.3
121.28167	0.2
128.07141	0.4
137.05971	3.4
140.18405	0.3
156.39249	0.3
160.73802	0.2
180.68167	0.2
182.15472	0.7
183.15855	0.4
196.99905	0.3
210.14940	0.7
211.15198	0.5
247.09470	0.8
273.11060	1.0
274.11255	0.3
310.43790	0.3
311.58716	0.3
383.68500	0.3
384.24512	0.3
481.22073	0.9
493.21991	0.3
509.21524	0.9
511.21664	0.2
521.21619	0.5
537.20392	0.4
539.22516	1.5
555.21869	1.1
557.23718	0.4
565.20203	0.4
573.22772	0.8
582.39386	0.5
583.21533	3.3
583.39911	0.4
584.21625	0.4
601.22479	100.0
602.22833	12.9
615.98804	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38183	0.2
60.35846	0.2
70.19033	0.6
79.15930	0.2
98.23338	0.3
120.05466	0.4
128.51790	0.2
133.06448	0.3
136.01369	0.2
150.06596	0.5
151.03714	0.5
160.74538	0.2
165.09155	0.3
167.07066	0.4
168.68387	0.2
177.05310	0.8
193.08513	1.0
211.09691	0.4
229.08391	0.2
247.09407	2.9
248.10075	0.5
261.11026	0.6
272.69473	0.3
274.08218	0.2
297.14767	0.2
313.47656	0.2
315.15784	0.5
343.15256	0.6
463.20947	0.6
467.20154	0.3
469.55939	0.2
481.21866	1.4
483.19879	0.2
491.20319	0.4
493.18011	0.5
499.23102	0.4
509.21625	2.4
510.21848	0.3
511.18811	1.6
521.21643	0.6
527.22534	8.9
528.23041	1.0
537.20880	1.0
539.22437	2.5
540.23383	0.3
555.21936	5.7
556.22235	0.5
557.23511	0.8
558.23560	0.3
583.21539	1.1
584.21045	0.2
601.22485	100.0
602.22839	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.2
65.21000	0.2
69.03429	0.3
70.66453	0.4
70.66811	0.4
78.86655	0.3
79.05479	0.2
81.44628	0.2
133.02684	0.2
137.06024	0.3
151.03824	0.2
162.87340	0.2
177.05426	0.5
189.12798	0.3
247.09442	1.0
273.11020	0.7
293.18829	0.2
345.13120	0.2
481.22067	0.8
491.20850	0.4
493.21768	0.8
509.21448	0.7
511.22864	0.8
521.21820	1.2
521.28174	0.2
530.23572	0.3
537.20758	0.5
539.22491	3.8
540.22119	0.3
548.25018	0.6
555.22076	1.4
557.23425	0.8
565.19965	0.6
566.26105	0.3
573.22784	0.7
583.21454	3.7
584.21393	0.7
601.22498	100.0
602.22815	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
61.50964	0.3
69.05076	0.5
69.05402	2.4
84.63508	0.2
96.99025	0.7
97.99809	0.3
105.07047	0.3
127.00071	0.6
137.06033	0.3
157.10150	0.3
160.04904	0.4
177.01677	0.4
177.12749	0.4
187.11011	0.7
199.11043	0.6
203.10484	0.8
209.29749	0.4
214.09596	0.3
216.76683	0.3
217.11842	0.3
221.89461	0.2
229.08424	0.3
229.12018	0.6
231.17531	0.3
246.12390	0.4
249.11095	0.4
253.15596	0.6
254.16426	1.5
255.10083	0.3
271.16687	0.3
273.11075	0.7
291.12024	12.0
292.12531	0.5
299.16409	0.4
308.12454	0.7
313.14063	2.5
319.11646	1.0
325.13998	0.4
343.15280	0.6
349.16354	0.3
361.16382	0.5
363.10510	1.9
363.17642	0.6
363.80042	0.3
373.16190	0.3
379.13800	0.4
381.11615	1.1
402.06384	0.3
417.15472	0.4
435.16339	2.0
436.17081	0.6
481.22284	0.5
491.20667	0.3
495.19608	0.3
509.21487	2.0
511.22849	0.5
537.21515	0.4
539.22742	1.0
555.22064	0.5
573.23224	1.0
583.21667	1.2
593.80640	0.3
601.22559	100.0
602.22913	11.8
615.73706	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.6
55.05507	16.5
57.07076	22.6
59.05008	6.3
67.05505	25.2
69.03419	9.5
69.07066	11.9
70.56870	10.9
71.08641	7.8
72.71822	3.4
73.02931	4.7
77.71416	3.5
79.05494	25.9
81.07052	32.7
82.19524	3.6
83.04972	8.2
83.08617	11.0
85.06545	6.2
87.04475	5.7
89.06026	30.6
90.85448	3.2
91.05482	40.0
93.07048	45.0
95.04974	11.7
95.08613	40.1
97.06512	6.0
97.10138	4.8
105.07032	57.2
107.08593	28.4
109.06537	12.2
109.10165	14.7
117.07008	10.8
119.08575	52.6
120.08966	5.1
121.06506	8.8
121.10137	30.1
123.08090	19.8
123.11711	4.6
125.05928	4.2
128.06221	5.2
129.06995	5.6
131.08551	26.0
133.08609	13.7
133.10089	25.4
135.08069	14.1
135.11699	11.9
137.09624	13.5
142.07777	11.8
143.08551	26.5
144.09370	5.1
145.10136	42.2
146.10489	7.1
147.08037	28.3
147.11655	11.6
149.09624	8.4
151.07547	9.4
151.11226	4.6
155.08572	9.3
156.09341	5.8
157.10114	30.2
158.10724	4.0
159.08037	5.6
159.11635	26.7
161.09615	11.3
161.13289	9.1
163.11171	11.5
165.09111	51.7
166.09421	4.7
167.08559	5.5
169.10129	10.4
170.10912	6.0
171.11671	13.3
173.09572	5.6
173.13249	8.0
175.11197	9.8
177.11320	4.4
181.10176	7.8
181.12184	9.4
183.11726	10.9
185.13194	8.3
187.11206	5.9
187.14761	4.7
189.12701	4.7
195.11694	10.4
197.13269	7.8
201.16309	5.5
203.14314	21.1
207.11650	8.2
207.13811	5.9
209.13295	7.6
211.14673	6.2
217.12175	4.7
221.13287	8.6
221.15334	100.0
222.15755	8.6
223.14790	5.4
225.16379	6.0
247.17133	6.9
257.18988	4.4
280.67984	4.1
299.20142	5.1
300.20654	4.5
301.21521	6.0
352.23987	5.6
353.24319	7.2
367.26111	6.8
393.28024	6.8
491.35217	7.9
521.35681	8.8
583.41382	10.3
601.42560	53.4
601.51410	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.05513	10.5
57.07067	7.6
59.04997	3.6
61.10933	1.7
65.03936	2.2
67.05498	15.4
69.03417	9.3
69.07063	7.6
71.03138	2.8
79.05499	16.9
81.07049	20.9
83.04971	5.6
83.08617	2.7
85.06554	4.3
86.79408	1.4
87.29907	1.6
87.83429	1.7
90.48788	1.4
90.88173	1.4
91.05476	30.3
92.05790	1.6
93.07040	43.6
94.07357	3.3
95.04930	8.9
95.08600	22.5
97.06517	4.8
98.22589	1.7
98.23189	1.9
103.05466	2.5
105.07028	48.4
106.07343	3.2
107.08598	24.1
109.06511	16.2
109.10186	9.0
111.08065	3.5
115.05462	2.7
117.07050	10.5
119.08578	50.3
120.08920	5.5
121.06473	6.9
121.10140	24.2
123.08054	17.0
123.11713	3.4
125.05974	7.8
128.06235	4.0
129.07011	6.6
130.07764	3.3
131.08565	21.1
133.06483	2.0
133.10124	21.6
134.10468	2.8
135.08061	14.0
135.11722	8.6
136.39635	1.7
137.09619	17.6
138.09981	2.3
141.07024	2.5
142.07777	7.5
143.08560	16.5
144.09286	4.9
145.10118	31.5
146.10452	5.1
147.08031	30.1
147.11719	11.2
148.08401	2.8
149.09618	7.5
151.07513	18.1
153.09117	1.7
155.08533	7.4
156.09343	6.9
157.10124	26.4
158.10625	2.8
159.08057	5.5
159.11705	18.4
161.09593	6.8
161.13255	7.0
163.11168	13.5
165.09114	56.1
166.09444	6.3
167.08476	3.0
168.09395	2.5
169.10136	11.6
170.10786	4.9
171.08081	2.6
171.11673	13.0
172.12114	2.6
173.09633	5.0
173.13304	8.4
174.10022	2.3
175.11168	5.4
175.14804	6.1
176.11523	1.9
178.09569	2.3
179.08466	2.1
180.09256	2.1
181.10165	4.3
181.12216	10.1
182.10905	2.7
182.12466	2.5
183.11610	11.8
184.12241	2.8
185.09549	2.0
185.13190	10.1
187.14836	8.3
189.12727	5.1
190.13440	3.3
191.10667	2.5
191.14206	3.7
193.10168	3.4
193.12213	4.4
194.10861	3.2
195.11688	7.8
196.12283	2.1
196.93088	1.7
197.13223	7.3
199.11189	4.6
199.14841	3.2
200.79305	1.5
201.12692	4.2
203.14302	20.7
204.14636	2.8
205.10010	1.6
207.11694	5.9
207.13802	9.7
208.12538	2.1
209.13258	6.1
209.15155	3.5
210.13919	2.5
211.14755	5.6
212.15247	2.1
213.16463	2.8
215.14166	2.5
217.15800	1.9
219.13799	2.1
221.13400	4.3
221.15352	100.0
222.15692	13.3
223.14723	4.4
225.12602	1.8
227.14308	3.5
229.15849	1.8
233.13139	2.7
233.15361	3.1
234.16124	5.3
235.14719	3.5
237.13052	2.3
237.16338	3.4
239.14386	1.9
247.16927	7.3
248.17339	3.7
261.16318	2.1
265.08649	3.8
274.19266	2.1
283.20407	2.3
286.19153	3.1
287.20053	7.9
295.13211	3.3
297.22281	2.7
299.20029	5.0
300.20721	4.1
301.21582	3.7
309.95728	1.9
313.21310	2.5
340.24100	2.2
341.24435	2.0
352.24039	4.6
353.24396	5.4
355.15421	25.7
356.16159	3.1
366.25092	3.2
367.26270	8.2
377.24799	1.7
387.17944	7.1
427.28207	2.5
428.28558	2.7
440.29144	2.9
441.29596	8.3
450.50171	2.2
491.35074	10.0
509.35800	5.0
521.36047	7.9
583.41443	11.0
601.42352	32.6
602.42596	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.9
53.03938	2.1
55.05512	6.5
57.07077	11.4
59.05010	2.1
65.03936	2.3
67.05506	13.2
69.03436	6.4
69.07066	5.6
74.83534	1.4
79.05495	14.5
81.07059	21.5
82.07375	1.4
83.04982	3.5
83.08613	2.6
83.22577	1.2
85.06564	2.9
88.82705	1.5
89.06040	1.6
91.05482	20.7
91.33861	1.4
93.07053	33.3
94.07412	1.8
95.04984	7.7
95.08618	19.4
97.06532	4.2
98.73133	1.5
105.07034	36.8
106.07354	2.8
107.08601	20.1
108.08926	1.9
109.06523	11.7
109.10175	10.5
111.08083	1.9
115.05482	1.9
117.07018	9.5
118.07391	1.7
119.08588	38.5
120.08875	2.8
121.06512	6.5
121.10150	19.9
122.07417	1.4
123.08065	13.9
123.11731	2.3
125.06004	5.6
125.09665	1.8
128.06253	4.5
128.21858	1.3
129.06985	7.4
130.07803	2.8
131.08588	15.8
132.09064	2.2
133.06458	1.9
133.10146	19.4
135.08051	12.7
135.11729	8.8
135.12561	1.3
137.05969	2.0
137.09612	14.0
139.07547	2.2
141.07004	2.8
142.07776	7.0
143.08583	17.0
144.09308	2.8
145.10155	27.6
146.10545	2.4
147.08060	22.0
147.11681	4.4
148.08719	2.0
149.09637	6.4
151.07558	9.8
155.08559	7.0
156.09346	5.3
157.10158	19.1
158.10648	2.5
159.08061	3.4
159.11705	18.0
160.12006	2.4
161.09731	3.7
161.13263	5.7
162.10156	2.4
163.11208	10.5
164.11586	2.9
165.07048	2.0
165.09126	48.6
166.09433	4.0
167.08591	2.0
168.09409	2.5
169.10135	8.2
170.10803	4.6
171.11653	10.0
172.12193	2.5
173.09627	2.3
173.13248	5.2
175.11191	6.3
175.14897	3.5
176.11612	1.9
179.08482	1.7
181.10133	4.8
181.12251	9.8
182.10870	2.2
182.12578	1.5
183.11682	9.6
184.12167	2.7
185.13226	6.8
187.11163	3.0
187.14859	5.0
188.11975	1.8
189.12759	5.7
190.13445	2.7
191.10699	1.7
191.14223	2.4
193.10190	1.6
193.12175	3.2
194.10733	1.7
195.11755	5.5
196.12134	2.1
197.09621	1.8
197.13235	6.4
198.13651	2.4
199.11153	2.4
199.14789	2.9
201.12823	2.7
203.14311	18.5
204.14772	2.9
207.11884	2.5
207.13757	7.1
208.12556	2.0
208.14397	1.8
209.13260	7.4
209.15256	4.2
211.14677	3.4
213.12669	2.1
213.16383	2.7
219.13789	2.7
220.12366	1.8
221.15372	100.0
222.15749	13.4
223.14684	2.9
227.14348	2.9
233.13112	2.1
234.16217	4.5
235.14693	2.3
235.16759	2.9
238.13480	1.7
238.16777	1.8
239.17896	2.3
247.16930	5.6
248.17316	4.7
265.19553	2.4
274.19257	3.1
279.17346	1.6
281.18954	1.6
285.21896	1.5
286.19287	3.5
287.19958	5.2
299.20020	4.8
300.20694	4.1
301.21576	5.3
312.20905	2.3
313.21448	2.8
314.22092	2.4
325.21747	2.0
337.21588	2.3
340.23877	2.7
341.24213	2.5
352.23953	6.8
353.24579	6.9
365.24683	2.2
367.26364	4.2
375.26846	2.2
388.26086	2.0
393.27783	1.8
421.31171	1.7
427.28314	2.3
428.28799	3.2
440.29025	3.6
441.29590	7.6
491.35367	8.6
492.35764	2.6
508.35312	2.0
509.35883	4.9
521.35791	10.5
522.36169	1.8
583.41785	9.1
601.42279	29.5
602.42346	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69292	3.1
53.03943	6.9
55.05518	22.8
57.07080	19.2
57.07306	3.2
61.64652	3.1
63.58686	3.5
65.03942	6.7
67.05513	32.7
69.03413	11.2
69.07081	24.5
69.73633	5.6
69.73991	14.4
71.08607	4.9
79.05502	34.8
81.07061	44.4
82.74399	3.2
83.04985	18.2
83.08608	13.0
85.06538	8.5
87.04452	6.8
89.06031	29.6
91.05479	58.2
92.05801	3.2
92.51353	3.2
93.06471	4.0
93.07047	68.8
94.07346	3.7
95.04981	24.3
95.08607	36.3
96.08934	4.3
97.06517	12.7
97.10191	3.6
103.05468	6.8
105.07034	95.5
106.07347	7.6
107.08600	78.1
108.08895	6.3
109.06504	14.4
109.10161	40.3
111.08075	8.4
113.09663	6.4
115.05452	11.9
117.07066	18.6
119.08585	86.5
119.09433	5.2
120.08918	9.1
121.06488	12.6
121.10155	70.4
122.10513	5.7
123.08083	17.1
123.11707	12.2
125.09631	13.2
126.09986	3.5
128.06197	13.1
129.07045	19.6
130.07761	10.6
131.08574	56.2
132.09070	3.6
133.06445	5.8
133.08578	16.1
133.10146	60.2
134.10489	4.2
135.08041	16.9
135.11729	15.9
137.09616	4.6
139.11197	9.4
141.06985	9.0
142.07817	21.4
143.08589	40.3
144.09309	11.5
145.06483	4.0
145.10138	73.4
146.10484	7.2
147.08044	13.3
147.11696	26.9
149.09633	18.9
149.13251	3.8
151.07443	6.0
154.07805	4.1
155.08537	14.7
155.10706	9.3
156.09354	24.2
157.10132	60.8
158.07350	3.7
158.10696	11.5
159.08044	16.3
159.11716	42.5
160.12137	5.7
161.09604	13.6
161.13269	11.4
163.11194	8.9
165.06975	8.8
165.09137	13.9
167.08548	9.6
167.09323	3.6
167.10686	49.1
168.09418	4.1
168.10985	3.7
169.10139	28.4
170.10799	12.5
171.11703	41.0
172.12064	8.9
173.09604	7.3
173.13242	24.6
175.11200	6.3
175.14857	12.7
177.11241	4.4
179.08546	7.7
180.09364	8.3
181.10149	15.3
181.12271	4.9
182.10829	9.9
183.11679	30.0
184.12230	5.5
185.09525	6.0
185.13228	18.7
186.13815	4.5
187.11253	4.8
187.14838	9.1
189.12685	8.6
191.14301	5.7
193.10094	11.5
194.10876	9.5
195.11699	27.7
196.12175	7.8
197.13246	24.8
198.10172	3.8
198.13611	4.8
199.11157	6.5
199.14845	20.8
201.12662	6.4
201.16396	6.8
203.14319	6.9
206.10989	6.3
207.11812	18.9
207.13579	5.8
208.12392	10.3
209.13353	22.0
209.15170	5.2
210.06894	3.7
210.13890	6.4
211.14824	22.0
212.15205	5.4
213.12671	6.4
213.16293	4.3
215.14326	5.8
217.10034	3.5
220.12396	4.7
221.13223	14.8
221.15408	26.5
223.14813	11.5
224.15315	4.1
225.12778	5.2
225.16373	6.1
227.14394	6.2
229.15900	5.3
231.11536	3.6
232.12308	5.3
233.13303	6.6
233.15375	31.8
234.13814	4.2
235.14725	8.1
236.15234	5.3
237.05771	4.6
237.16414	11.4
239.14096	3.4
246.13863	5.6
247.14906	4.8
249.16486	7.8
250.16656	4.1
251.17979	5.1
255.17461	9.6
256.17639	4.8
260.15237	4.7
261.16440	5.4
263.17896	6.1
265.08621	6.5
265.19501	7.0
269.18967	9.5
273.16031	3.9
273.18582	4.4
277.08517	4.4
277.19394	5.1
281.18903	6.7
283.20401	6.2
285.18698	4.5
287.20157	4.4
289.19217	4.3
295.13321	4.7
295.20865	5.9
299.09076	7.8
303.20895	4.4
318.11099	4.6
323.12762	8.3
325.06818	14.0
340.09204	6.8
355.15463	13.3
362.25995	4.2
363.12012	9.6
378.14462	8.6
387.17981	13.2
409.11057	6.5
409.16241	100.0
410.16483	10.3
497.29303	4.0
583.41119	11.5
601.27563	78.7
601.42242	11.5
602.27789	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.5
69.11665	9.3
69.12064	2.6
79.54079	1.6
83.05000	3.1
93.44621	1.3
124.51064	1.4
124.52162	1.8
164.34744	1.4
165.07054	3.4
167.08597	1.7
182.07352	1.6
193.06523	3.0
194.07272	1.7
195.08104	5.6
207.08015	3.1
208.05203	4.0
210.06775	4.5
211.07549	4.2
221.06035	4.7
222.06627	3.6
223.07484	8.3
224.08339	2.5
225.05447	2.0
225.09041	10.7
226.06378	1.8
226.09662	1.6
227.07047	3.4
233.05922	2.0
234.06747	2.2
235.07494	5.4
236.04593	4.2
236.08287	1.8
237.05458	7.7
237.09261	1.7
238.06311	10.7
239.07011	5.2
240.04163	6.9
242.05779	1.6
242.09306	2.0
243.02815	1.8
249.05516	3.1
250.06270	3.3
251.07011	25.6
252.07771	12.2
253.04892	3.3
253.08600	22.9
254.05692	2.5
255.06419	4.6
255.10387	2.0
256.07129	1.8
263.07138	3.7
264.07767	2.0
265.04990	2.6
265.08649	2.6
266.05780	8.7
266.08490	1.8
267.06525	10.5
267.10028	2.5
268.04135	1.8
268.07297	4.9
269.08081	4.2
270.08899	4.9
271.09717	2.6
279.06519	22.8
280.07150	9.3
281.08069	49.9
281.11160	2.9
282.05411	2.3
282.08783	7.8
283.06354	8.1
283.09277	7.6
283.12488	1.6
284.06674	3.4
285.07550	4.4
285.10889	2.7
286.04602	4.0
293.08069	2.2
294.08997	1.8
295.06067	4.1
295.09671	7.4
296.06720	4.8
296.10031	1.9
297.07516	9.4
297.10883	3.5
298.08487	9.3
299.05475	3.6
299.08765	2.0
300.06085	2.1
301.07047	15.5
309.07544	15.6
309.10849	2.3
310.08319	3.7
311.05719	3.0
311.09137	32.7
312.09793	9.3
313.07062	8.2
313.10715	31.4
314.07727	2.9
314.11136	3.3
315.08606	5.8
323.09106	6.4
325.10742	4.8
326.07721	3.0
327.08630	3.6
327.12314	5.0
328.09433	32.9
329.09708	2.1
337.10767	3.0
341.10199	100.0
342.10574	9.2
343.11774	41.7
353.10291	6.6
355.11765	19.3
356.12311	2.5
367.11804	16.5
385.12811	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01245	1.2
50.31964	1.1
51.05675	1.1
55.05500	4.0
60.97182	1.3
69.28697	7.5
71.55991	1.3
83.04987	6.0
92.34688	1.4
98.23360	1.2
98.76288	1.2
152.06177	2.1
165.07028	1.6
178.07848	1.9
180.05675	2.3
181.06461	2.1
182.07285	2.7
183.07965	1.9
184.05115	1.4
193.06435	2.2
194.07237	2.4
195.08069	4.1
197.09558	2.1
199.07571	2.5
205.06552	2.6
206.07210	2.4
207.08109	2.4
208.05342	2.6
209.05981	3.8
209.09700	1.6
210.06824	4.5
211.07646	3.3
212.08299	1.6
220.05295	2.1
221.05965	4.2
222.06709	2.5
223.07529	7.6
224.08145	2.6
225.05522	2.2
225.09103	8.6
226.06281	1.8
227.07002	2.8
227.10649	1.8
233.05975	1.7
234.06755	3.3
235.07504	7.0
236.04688	4.8
236.08403	1.6
237.05382	7.4
237.09207	2.8
238.06216	12.8
239.07031	5.5
239.10703	1.5
240.04166	7.7
240.07733	1.9
241.08524	1.8
242.09380	2.6
243.02945	1.6
249.05579	3.4
250.06146	4.7
251.07031	31.3
252.07689	11.8
253.04961	3.2
253.08575	23.6
254.05768	4.7
254.08966	1.7
255.06508	5.5
255.10291	1.6
256.07330	2.3
257.08139	1.5
263.07074	4.5
264.07751	1.4
265.04980	4.0
265.08630	2.8
266.05728	9.1
267.06528	9.3
267.09836	3.0
268.03696	2.7
268.07303	6.3
269.08118	4.7
270.08905	3.7
271.09741	2.2
277.04813	1.6
279.06561	19.6
280.07303	9.5
281.08081	46.6
281.11166	2.8
282.05444	2.4
282.08649	6.0
283.06003	8.2
283.09567	6.3
284.06546	1.7
285.07703	2.2
285.11249	3.9
286.04712	5.4
293.08179	2.9
294.08701	1.8
295.06305	2.8
295.09659	8.0
296.06857	3.6
297.07516	8.6
297.11176	4.3
298.08444	9.6
299.05563	2.8
300.06247	2.5
301.07111	15.6
302.07690	1.9
309.07651	14.1
310.08200	4.7
311.09125	28.5
312.09821	8.0
313.07092	9.2
313.10687	35.8
314.07712	4.2
314.11008	2.3
315.08716	5.1
323.09174	7.7
324.09824	1.6
325.10651	5.0
326.07773	2.7
327.08710	3.1
327.12299	4.0
328.09418	30.6
329.10086	2.9
337.10693	2.5
341.10202	100.0
342.10614	9.6
343.07629	2.8
343.11774	47.6
344.11984	3.6
345.09616	1.7
353.10300	4.6
355.11743	21.4
356.12006	1.8
367.11731	17.1
385.12796	27.9
386.13187	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
59.85323	0.4
61.33078	0.4
69.03439	0.8
78.04707	2.0
79.05487	3.2
81.03429	0.5
85.02912	2.0
91.05467	2.2
93.07040	0.5
95.04979	0.5
97.02888	1.1
103.05459	3.4
105.07024	4.0
105.07686	0.6
106.04186	1.1
107.04949	6.9
109.06513	0.6
115.05450	1.6
117.06998	1.1
119.04938	0.5
121.06521	1.6
123.04433	5.1
123.08050	0.5
124.05233	2.6
127.03884	0.6
129.07002	1.1
131.04930	6.9
131.08636	0.9
133.06491	4.8
134.03629	0.4
135.08044	1.1
137.05971	3.8
141.06990	0.8
144.05684	0.5
145.06485	3.0
147.04405	1.8
147.08075	0.5
149.05992	0.6
151.03889	1.3
151.07513	3.1
152.04665	1.6
153.05470	1.0
155.08614	0.4
158.07251	1.4
159.08049	1.7
161.05980	6.7
163.07538	11.7
163.08902	0.6
164.07834	0.6
167.07036	100.0
168.07411	2.8
173.05994	1.5
173.09648	0.9
173.97215	0.4
175.07550	1.8
177.09093	2.6
179.07040	5.0
180.08707	0.6
181.08574	4.7
187.07516	3.0
189.09132	0.6
191.07233	0.5
192.07838	0.5
193.08595	16.2
194.08948	0.7
201.09068	1.5
205.08510	1.1
207.10153	0.5
217.08560	0.8
219.10130	2.9
221.11736	0.6
225.07527	2.9
233.11734	4.3
237.11252	3.6
238.11601	0.5
251.12750	1.8
263.10623	1.0
265.08664	0.6
291.10107	0.6
295.13388	0.8
308.10452	0.6
323.12689	1.6
339.04910	0.4
355.15387	13.6
356.15762	1.3
387.18011	12.2
388.18256	0.7
405.19086	21.9
406.19397	1.8
423.20129	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61940	3.8
53.32738	4.9
55.05512	40.7
59.20565	4.3
61.69212	5.0
67.05512	5.7
71.29997	7.5
81.07052	11.4
83.04980	61.3
91.05479	6.6
93.07078	9.0
95.08611	7.6
104.10736	9.2
105.03384	5.7
105.07021	7.7
107.08611	6.9
123.08060	4.8
128.85573	4.0
131.08530	4.0
145.10146	5.0
153.29382	4.4
182.07266	6.2
182.94716	5.5
189.12009	4.8
210.06870	10.9
221.75734	4.8
225.09041	23.6
227.07030	9.4
239.07085	7.4
242.09451	6.9
253.08542	23.2
255.06517	11.0
263.23254	4.6
267.10178	4.2
270.08942	8.2
271.57394	4.1
281.08051	36.6
285.11157	6.4
287.05496	6.4
293.11917	5.7
295.09763	4.6
298.08310	10.2
313.10660	31.7
314.11127	5.3
317.10287	6.8
321.10989	4.6
339.12000	6.2
345.13345	100.0
346.13351	9.3
353.13730	12.8
385.16455	40.1
427.17633	10.2
437.63504	5.3
551.40582	4.4
613.69824	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	42.2
57.07058	16.3
67.05501	29.1
71.30468	23.4
79.05498	18.7
81.07048	50.7
83.04988	53.2
91.05469	28.0
93.07039	35.9
95.08619	32.0
105.07038	54.0
107.08624	24.1
109.10188	22.5
119.08601	38.9
121.10115	22.6
123.23318	14.3
130.68620	12.2
131.08575	16.3
133.10112	26.3
145.10089	63.9
147.11789	13.8
159.11691	31.1
197.09636	19.8
201.16364	29.0
211.77985	13.8
213.82437	17.7
227.06703	12.6
281.08066	54.4
282.08521	16.2
283.09457	16.5
310.18204	15.4
311.09073	29.2
313.10690	31.0
341.10196	56.7
343.11768	100.0
353.13901	22.8
383.11084	40.2
387.18066	19.3
388.83563	13.8
522.01007	18.2
558.34991	16.4
602.35345	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04041	15.9
53.03943	22.0
55.05529	24.4
57.03430	29.0
67.05501	58.5
67.60237	17.8
69.03422	24.0
69.07072	26.3
69.82359	76.4
70.06585	56.4
76.15279	16.3
79.05499	69.8
81.03419	46.2
81.07059	53.0
83.04961	35.5
85.02910	32.8
91.05496	38.4
91.56429	17.1
93.07042	70.9
95.04970	63.6
97.02937	25.3
98.23255	29.9
99.74375	20.4
105.07047	66.0
107.04936	25.0
108.63519	17.9
109.06499	23.2
109.10139	31.4
115.03953	24.2
119.08604	37.4
121.06514	17.9
123.04462	31.3
129.07007	31.3
131.04953	38.8
131.08588	47.9
133.06468	23.8
133.10158	28.0
137.06003	51.1
139.03935	17.8
145.10085	33.8
147.11612	20.8
159.08060	30.5
161.09663	23.1
163.07661	23.5
167.07039	23.4
173.05998	18.9
181.10350	20.7
187.07483	18.9
189.05475	23.2
217.04988	23.5
273.04022	37.3
283.54083	18.8
289.14465	24.5
301.14383	33.8
303.05154	25.1
379.19162	26.7
489.22916	25.1
531.23468	34.2
549.24908	52.8
585.30627	67.7
602.29004	100.0
603.29889	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61940	3.8
53.32738	4.9
55.05512	40.7
59.20565	4.3
61.69212	5.0
67.05512	5.7
71.29997	7.5
81.07052	11.4
83.04980	61.3
91.05479	6.6
93.07078	9.0
95.08611	7.6
104.10736	9.2
105.03384	5.7
105.07021	7.7
107.08611	6.9
123.08060	4.8
128.85573	4.0
131.08530	4.0
145.10146	5.0
153.29382	4.4
182.07266	6.2
182.94716	5.5
189.12009	4.8
210.06870	10.9
221.75734	4.8
225.09041	23.6
227.07030	9.4
239.07085	7.4
242.09451	6.9
253.08542	23.2
255.06517	11.0
263.23254	4.6
267.10178	4.2
270.08942	8.2
271.57394	4.1
281.08051	36.6
285.11157	6.4
287.05496	6.4
293.11917	5.7
295.09763	4.6
298.08310	10.2
313.10660	31.7
314.11127	5.3
317.10287	6.8
321.10989	4.6
339.12000	6.2
345.13345	100.0
346.13351	9.3
353.13730	12.8
385.16455	40.1
427.17633	10.2
437.63504	5.3
551.40582	4.4
613.69824	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
62.78403	0.5
69.27321	3.0
77.52866	0.4
78.82121	0.5
82.70053	0.5
98.23293	1.2
105.23419	0.5
137.99593	0.5
162.98744	0.5
167.06963	0.7
173.09636	1.1
194.07117	0.5
201.09077	1.5
202.08047	0.5
202.09766	2.5
205.06567	0.6
209.09674	1.4
210.06810	1.5
211.07500	1.4
213.05515	0.6
219.08060	1.1
220.08821	1.8
221.09634	0.8
223.11142	0.7
224.08374	0.8
225.09145	0.9
226.06221	0.5
231.08041	0.6
233.05981	0.6
233.09494	0.8
234.06848	0.6
235.07547	0.6
235.11168	4.2
236.08223	0.6
236.11986	0.7
237.09074	3.7
238.06183	1.0
239.07114	1.1
239.10512	0.5
240.07809	0.9
241.04956	1.1
241.08569	0.6
247.07535	1.4
248.08331	3.0
249.09125	5.2
250.09792	0.8
251.07053	0.7
251.10643	1.9
252.11467	2.2
253.08681	0.9
253.12195	0.6
254.09222	1.4
255.06529	1.4
256.07346	1.9
257.08041	0.8
261.09167	1.2
262.09937	1.0
263.06729	0.6
263.07770	0.6
263.10660	6.6
264.07480	0.6
264.11465	2.9
265.08621	9.5
265.12134	1.7
266.06592	0.5
266.09250	2.5
266.12796	0.6
267.06406	0.6
267.10492	0.5
267.13724	1.9
268.07388	0.5
269.08176	0.6
269.11618	0.7
270.09018	0.5
271.09567	1.3
277.08597	9.8
277.11542	0.4
278.09293	2.1
279.10135	2.8
280.10904	10.5
281.11639	2.9
282.08847	2.1
282.11835	0.6
285.07620	0.8
291.10025	2.4
292.10895	2.2
293.08063	3.7
293.11673	2.5
294.08798	1.7
294.12491	1.4
295.09921	1.1
295.13226	12.1
296.13840	1.7
297.11240	2.8
297.14340	0.5
299.09113	3.0
300.09842	0.6
307.09650	1.5
308.10483	2.3
309.11200	9.7
310.08487	0.7
310.11850	1.0
312.13483	1.1
313.10727	1.4
322.11993	0.9
323.12784	9.3
324.13562	9.9
325.10727	3.5
325.14252	2.2
326.11411	0.7
327.15704	1.3
331.11584	0.7
338.15158	0.7
340.12985	3.6
341.13705	1.2
345.13239	0.7
355.15393	100.0
356.15881	13.3
387.17978	13.1
388.18430	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64584	0.9
69.20021	1.9
69.20416	6.2
77.36573	0.8
81.07046	1.0
89.86031	0.8
91.05514	0.8
92.65398	0.9
93.07021	1.1
99.34639	0.8
105.07081	1.2
119.08587	1.1
121.10202	1.2
124.05161	1.0
139.06575	0.8
168.93813	0.9
173.45596	0.8
181.73651	1.0
207.07791	1.1
210.06711	1.0
211.07463	1.3
211.11188	1.0
221.09480	1.1
225.05551	1.3
226.06178	1.1
227.07109	1.1
235.11143	2.0
237.05467	1.3
237.09123	2.8
238.09753	1.0
239.07036	3.0
241.04848	1.6
242.05779	1.3
243.06229	1.4
246.37811	0.9
247.07336	1.0
248.08260	1.8
249.09128	3.2
250.09738	1.6
251.07076	0.9
251.10588	2.2
252.11365	1.0
253.08577	3.1
255.06471	1.2
256.07266	2.6
257.08215	2.7
262.09897	1.1
263.10675	4.1
264.11551	1.4
265.08682	5.4
265.12122	2.2
266.05847	2.3
266.09393	2.5
267.06485	4.1
267.10013	2.2
269.04443	1.9
269.11710	1.6
271.09671	1.9
277.08521	4.0
277.11823	1.4
278.09299	1.8
279.10175	4.7
280.10883	4.2
281.08124	2.9
281.11746	7.9
282.08823	1.4
282.12201	1.5
284.06906	6.5
285.07614	11.0
291.10114	3.5
292.10901	1.5
293.08157	3.2
293.11658	5.8
294.08884	1.7
294.12399	2.4
295.09866	2.1
295.13293	8.7
297.11182	4.6
298.08389	1.4
298.11679	1.5
299.09201	6.5
300.09915	5.0
307.09744	2.1
308.10385	4.6
309.11191	13.4
310.11923	3.2
311.09125	1.6
311.12613	1.7
312.13467	2.8
313.14111	1.4
314.11563	10.7
322.12012	4.6
323.12744	10.4
324.13541	4.6
325.10681	4.7
325.14313	7.9
326.11481	2.2
327.15829	4.4
340.13025	10.6
341.13846	32.8
342.14087	1.9
355.15402	62.9
356.16168	88.9
357.16650	7.8
359.18503	4.4
372.15549	1.0
387.18024	100.0
388.18405	6.7
602.37738	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.369
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77663	0.3
55.05510	0.6
57.07065	1.0
67.05495	0.9
69.07057	1.0
71.08598	0.7
79.05475	0.8
81.03431	0.3
81.07042	1.2
83.04958	0.3
83.08616	0.5
85.41929	0.3
91.05478	0.7
93.07043	0.8
94.58224	0.3
95.04946	0.3
95.08608	1.3
97.10203	0.4
98.22596	0.5
99.04430	0.7
101.76624	0.3
105.07028	1.1
107.08595	0.7
109.10139	0.7
115.95298	0.3
117.07059	0.3
119.08549	0.6
120.08919	0.3
121.10178	0.5
125.05972	0.3
126.62356	0.3
131.08549	0.3
133.10162	0.5
143.08534	0.8
145.10129	0.7
147.42117	0.3
157.10101	0.4
159.08011	0.4
159.11679	0.4
160.11932	0.3
165.07042	0.6
165.09120	0.5
171.08011	0.4
173.09605	0.5
173.13260	0.4
183.07994	0.4
183.11757	0.3
192.09305	0.3
193.10104	0.3
194.07234	0.3
195.08130	0.5
196.05243	0.3
197.05861	0.4
197.13263	0.3
201.09097	1.1
201.16350	0.3
202.09843	2.0
204.17564	0.2
207.11613	0.4
209.09599	1.1
210.06778	0.8
210.10480	0.3
211.07436	0.8
212.08279	0.3
213.05458	0.5
219.08092	1.0
220.08749	1.5
221.06042	0.3
221.09637	1.0
221.15367	0.7
222.06798	0.4
222.10275	0.3
222.15860	0.3
223.07614	0.6
223.11090	0.3
224.08302	0.4
225.05591	0.3
225.09070	1.1
226.06245	0.4
226.09923	0.5
227.07036	0.6
228.07727	0.4
233.06059	0.5
233.09644	0.4
234.06711	0.5
234.10310	0.5
235.07463	0.9
235.11179	2.2
236.11852	0.4
237.05443	0.3
237.09097	3.7
238.06227	0.6
238.09706	0.7
238.93059	0.3
239.07024	1.3
239.10620	0.4
240.07756	0.9
241.04939	1.0
241.12375	0.3
243.06480	0.9
247.07535	1.3
248.08330	2.5
249.09145	3.6
250.06355	0.5
250.09807	0.9
251.07010	0.9
251.10690	1.9
252.11438	2.3
253.08618	0.9
253.12141	0.7
254.09372	0.7
256.07202	1.4
257.08185	0.8
258.08813	0.6
259.69254	0.3
261.08994	0.5
262.09918	1.1
263.07028	0.8
263.10681	4.6
264.11560	1.6
265.08612	7.8
265.12146	1.4
266.05951	0.4
266.09338	1.6
266.12930	0.6
267.06479	1.2
267.10071	0.6
267.13705	2.2
267.26941	0.5
268.07175	0.6
269.04523	0.6
269.08185	0.3
269.11752	0.7
270.08899	0.4
271.05768	0.4
271.09628	1.3
275.06900	0.4
276.07883	0.5
277.08618	4.5
277.11865	0.5
278.09314	1.0
279.06830	0.7
279.10168	2.7
280.10910	8.3
281.08127	0.8
281.11688	3.4
282.08810	1.8
283.09595	0.5
284.06778	1.8
285.07431	1.2
285.10806	0.5
286.08286	0.5
287.09113	0.5
290.09433	0.8
291.10181	3.6
292.10956	2.3
293.08090	3.8
293.11682	1.8
294.08722	1.1
294.12402	1.0
295.09851	0.8
295.13235	11.0
296.13876	1.4
297.08139	0.4
297.11169	2.4
299.09119	2.6
300.09738	0.7
305.11899	0.7
306.12497	2.9
307.09601	1.2
308.10458	3.7
309.11179	6.8
310.11853	0.7
311.09033	0.5
311.12469	0.5
312.13617	1.0
313.10706	0.4
313.14099	0.4
314.11331	0.4
317.10321	0.4
318.10666	0.3
322.11884	0.4
323.12759	7.7
324.13510	5.6
325.10648	3.3
325.14368	1.1
326.11288	0.4
327.16074	1.4
340.13013	3.4
341.13608	1.3
341.30295	1.5
355.15387	100.0
356.15927	13.7
357.16663	0.5
372.15680	0.4
377.51346	0.3
387.17996	10.4
388.18463	1.0
492.34454	0.4
603.42920	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45651	1.0
57.07082	1.1
59.04994	1.0
67.05512	1.4
69.54732	4.5
72.80911	1.0
79.05528	1.0
81.07063	2.0
91.05516	0.9
93.07058	1.0
95.08623	2.2
99.04465	1.7
104.57338	0.9
105.07093	1.3
109.10134	1.2
117.07019	1.7
119.08569	1.2
133.10112	0.9
143.08565	0.8
159.08023	1.1
165.07188	1.0
173.09706	2.4
186.66772	0.9
192.09415	1.0
199.07617	1.0
209.09642	2.4
211.07405	1.1
212.08304	1.0
219.08081	2.2
220.08755	2.3
221.09584	2.0
223.07494	2.1
223.11087	1.6
224.08261	0.9
225.09105	1.7
226.06265	1.5
227.06987	2.1
233.09570	1.6
234.10367	2.1
235.07600	1.3
235.11053	4.3
237.09088	9.1
238.06378	1.3
238.09816	1.1
239.07005	1.1
239.10719	1.9
240.07782	1.2
241.04921	2.7
241.08717	1.2
241.12277	2.0
247.07574	1.1
248.08379	3.2
249.09077	5.8
250.09869	1.8
251.07059	2.0
251.10785	5.7
252.11478	4.6
253.08652	6.3
253.12009	2.6
254.09308	2.5
255.06555	2.9
255.10075	2.5
256.07291	2.8
257.08109	3.9
258.08881	1.0
259.09692	1.4
261.09009	1.0
262.09937	1.5
263.10703	11.9
264.07846	2.0
264.11481	3.1
265.08649	12.7
265.12241	4.8
266.09247	3.1
267.06583	2.7
267.10190	4.3
267.13840	3.2
269.08292	1.8
269.11774	5.0
270.08920	1.7
271.07068	1.0
271.09583	5.2
277.08698	3.4
277.12231	2.3
278.09399	3.0
279.06628	1.4
279.10223	6.7
279.13162	1.5
280.10928	15.0
281.05447	0.9
281.08209	4.8
281.11737	13.9
282.08844	1.6
282.12167	1.1
283.09567	1.8
284.06845	3.1
284.10052	0.9
285.07605	13.9
285.10916	1.4
286.08041	1.7
287.09341	1.5
291.10110	7.4
292.10977	3.4
293.08105	6.2
293.11783	7.0
294.08832	2.7
294.12454	3.0
295.09927	2.6
295.13290	29.4
296.13968	5.4
297.11191	10.9
297.14487	1.5
298.08365	2.2
298.11749	1.5
299.09094	10.2
300.09900	7.7
302.08014	1.2
304.09360	1.4
305.11694	1.4
307.13281	2.1
308.10495	8.7
309.11246	21.8
309.14877	4.9
310.11786	3.3
310.15222	1.1
311.09250	2.1
311.12674	1.3
312.13480	12.0
313.10663	2.6
313.14328	4.0
314.11435	10.2
315.11734	1.0
317.10223	2.5
322.11893	1.2
323.12762	25.5
324.13525	18.0
325.10712	4.2
325.14310	7.7
326.11420	2.6
327.12216	0.8
327.15860	13.5
331.11917	1.4
337.14410	6.1
340.13065	7.1
341.13837	25.7
341.17014	1.0
342.14221	2.3
355.15408	100.0
356.16147	90.0
357.16705	9.0
359.18475	11.2
372.16251	1.1
387.18018	89.7
388.18359	6.6
494.92123	0.9
508.34448	0.9
602.38159	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88136	2.8
53.03942	3.9
55.05512	79.8
69.49428	5.7
69.49828	13.7
77.29873	2.5
81.07053	4.1
83.04482	5.4
83.04983	100.0
91.05510	3.7
95.04968	3.8
105.03398	15.7
105.07070	4.0
165.07008	5.9
166.07774	3.0
167.08530	4.9
195.08170	5.8
197.06020	2.7
203.21863	2.6
205.06503	6.5
209.05983	3.3
221.06042	3.7
223.07663	8.1
225.05460	4.5
233.06050	3.0
235.07571	3.8
237.05522	3.7
239.06972	3.5
241.04907	2.5
249.05504	5.7
251.07065	35.2
252.04156	4.4
252.07524	3.7
253.04971	5.7
255.06621	3.5
263.07001	5.8
265.04977	5.4
265.08505	5.1
266.05734	3.0
267.06567	4.1
268.43945	2.5
269.04407	5.4
279.06485	35.5
280.03668	9.9
280.06992	5.7
281.04584	5.5
281.08090	8.2
282.05206	3.6
283.06027	11.3
291.06415	4.4
293.08130	9.0
295.05957	6.0
297.03983	10.9
298.04678	4.5
305.08136	4.8
307.06073	6.9
307.09631	3.3
308.06653	3.8
309.04117	7.3
309.07526	81.5
310.04742	19.8
310.07843	4.8
311.05499	8.3
312.06287	19.5
313.07004	9.3
321.07498	13.4
323.05554	6.9
323.09213	16.6
324.06140	14.6
325.06879	4.8
333.07590	5.0
336.06339	10.7
337.07129	15.5
338.07364	3.2
339.08636	22.9
341.06506	23.3
348.06143	9.5
351.08597	38.2
353.09906	6.3
363.08688	25.6
381.09711	24.1
394.10486	11.0
603.35297	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.05512	33.2
67.05497	1.1
69.07234	1.8
69.07654	3.6
77.28156	0.6
81.07062	0.6
83.04983	27.9
84.05322	0.7
93.07069	0.7
93.45599	0.6
95.08609	0.9
98.22559	1.1
98.87548	0.6
104.86150	0.6
179.89027	0.6
219.08124	1.1
220.08823	1.2
232.08876	0.8
233.06084	0.9
233.09633	1.1
233.46527	0.6
235.07558	1.6
237.09142	0.7
245.09662	1.5
247.07591	1.3
248.08347	4.7
249.09099	2.1
251.10533	0.7
260.08356	1.4
261.09113	2.3
262.06354	1.1
262.09500	0.7
263.07083	2.4
263.10599	4.0
264.07819	1.7
265.08606	2.1
275.06955	2.5
276.07739	4.2
277.08496	4.9
278.09363	2.0
279.06985	0.7
279.10196	2.0
280.10828	0.9
284.06934	1.0
288.07706	1.6
289.08624	1.7
290.09348	2.6
291.06546	4.0
291.10150	6.4
292.07294	2.3
292.11023	2.6
293.08057	2.9
293.11414	1.0
295.09665	1.2
299.09055	1.7
303.06506	1.0
304.07379	2.3
305.08081	4.4
306.08838	3.8
307.09625	5.0
308.06979	1.0
308.10373	1.9
309.07629	0.9
316.07346	1.0
317.08133	1.8
318.08890	2.7
319.05881	2.0
319.09637	4.6
320.06830	3.8
320.10349	2.8
321.07422	3.2
321.11215	3.6
322.11893	1.3
323.09329	1.2
323.12695	1.5
331.09338	0.6
333.07599	1.1
334.08334	7.4
335.09106	24.4
336.09781	2.3
337.10910	0.8
338.11465	1.0
341.10217	0.8
349.10754	10.5
350.11435	22.7
351.08466	2.0
351.12201	7.4
353.13599	2.0
357.07150	0.9
366.10922	2.3
372.09741	1.4
373.06586	1.2
373.10669	1.1
381.13315	100.0
382.13690	8.4
387.18237	0.7
388.09161	1.7
403.11481	39.3
404.11871	4.0
421.12485	2.2
472.15137	1.1
493.36877	0.7
503.16751	40.6
504.17303	4.3
603.21906	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2202
Annotation	Genkwadaphnin
Peak:m/z	Relative Intensity
56.10196	0.4
58.37939	0.4
70.91394	0.4
71.30901	0.4
83.83611	0.3
103.05407	0.4
120.14314	0.3
273.04144	0.5
292.12131	0.5
293.12482	0.5
302.04459	0.4
323.86655	0.5
523.81378	0.4
603.22058	100.0
604.22308	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.05512	72.3
60.48448	1.2
69.07051	2.2
69.50924	2.6
69.51337	5.6
70.70819	1.1
75.04459	2.5
83.04979	100.0
84.05306	2.9
95.04982	1.9
105.03398	17.1
105.04494	1.6
114.51036	1.2
128.06200	1.6
130.45592	1.2
141.49245	1.3
195.08101	1.7
203.96318	1.3
221.09447	1.5
223.07611	2.7
227.07047	5.5
237.09108	1.8
238.06288	4.5
239.06984	2.4
240.04242	1.8
249.09013	1.5
251.07028	4.1
253.08449	1.5
263.07016	3.0
263.10718	2.1
265.05023	1.7
265.08566	2.8
266.05695	13.0
267.06445	4.5
268.03674	2.1
269.07953	1.5
277.08560	2.8
278.09198	1.7
279.06396	2.2
279.09912	2.2
280.07321	1.9
281.08063	17.9
283.09647	1.5
289.08511	1.9
291.06448	2.9
291.10114	3.5
292.07242	1.4
292.10480	1.5
293.08035	3.3
294.05209	5.5
294.08429	2.0
295.06012	2.7
295.09433	2.6
305.08044	1.5
306.08679	3.0
307.09573	3.9
309.07574	22.4
310.08340	8.6
311.05429	7.9
311.08841	2.5
313.07083	3.3
321.07892	1.7
321.11151	8.4
323.12723	3.6
326.07489	2.4
329.10120	3.4
335.09070	1.9
337.10596	1.7
338.11377	2.3
339.11990	2.0
341.10187	31.9
342.10400	2.6
349.10815	1.9
350.11591	1.7
351.12067	3.6
353.13797	22.6
354.14273	2.8
369.13220	7.3
381.13327	23.4
382.13510	2.4
399.14334	7.4
420.80872	1.3
472.28818	1.4
603.38824	33.2
604.38861	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12449	3.5
53.03951	8.7
53.04295	3.2
53.73695	3.2
55.05516	48.1
56.06166	3.9
60.01221	4.1
69.12314	25.3
69.12710	7.3
72.24207	3.6
77.60526	3.3
82.49504	3.9
83.04987	60.3
91.05498	3.8
95.04963	4.6
95.10689	4.1
98.23016	17.6
105.03397	100.0
105.04482	5.5
179.07086	3.6
251.06885	3.5
263.07172	4.1
266.05762	12.0
281.08078	11.4
294.05164	4.9
295.05933	3.8
306.08890	4.8
309.07690	22.3
310.08386	13.3
311.05676	5.7
311.09219	4.4
313.06772	4.5
341.10266	39.3
349.10962	5.4
350.11285	5.5
353.13843	15.6
381.13181	23.8
603.21985	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.8
51.81080	0.6
53.03951	4.5
54.60543	0.6
55.05513	73.5
55.31319	0.6
56.05840	0.9
57.00656	0.4
66.92931	0.5
69.26309	4.9
83.04981	100.0
84.05300	2.1
95.04935	2.8
98.66154	0.5
105.03394	31.8
105.04536	2.2
106.03762	0.9
110.39616	0.6
126.46103	0.6
159.08064	0.5
168.05713	0.6
175.93832	0.6
177.09125	0.5
187.14435	0.6
195.08052	1.0
198.06789	0.9
204.52983	0.7
213.09108	0.9
218.07173	0.7
219.08104	0.7
221.09621	0.8
223.07545	1.5
225.05386	0.7
225.09082	0.7
226.06284	1.2
231.08258	0.9
234.06703	1.1
235.05551	0.6
235.07523	2.8
236.04657	0.6
236.08246	0.7
237.05400	0.9
237.09135	1.3
238.09933	1.2
239.06999	1.1
240.07791	1.4
241.08600	1.9
242.05785	1.1
244.84721	0.6
247.07684	0.9
248.08333	1.5
249.05557	0.7
249.09126	2.3
250.09911	1.6
251.07001	4.2
252.07820	1.3
253.08658	2.2
253.12164	0.7
254.05762	2.5
255.06572	1.0
256.07364	1.6
261.09085	0.6
262.09906	0.7
263.07153	3.2
263.10629	2.0
264.07715	1.3
265.05057	1.2
265.08600	3.3
266.05850	0.9
266.09396	3.9
267.06598	2.0
267.10077	1.3
268.07309	1.0
269.08054	1.3
271.06064	0.6
271.09662	0.6
275.07098	1.2
276.07852	1.3
277.08612	4.3
278.05893	0.8
278.09427	1.6
279.06543	3.3
279.10107	1.9
280.07346	1.7
280.10837	0.8
281.08133	5.9
281.11728	4.1
282.05292	1.2
282.08459	0.9
283.06201	0.7
283.09555	1.4
284.06824	2.4
285.07449	1.3
289.08533	1.3
290.09271	1.2
291.06735	1.3
291.10162	2.9
292.07208	2.2
292.10440	0.7
293.08032	4.9
294.08643	2.7
295.06070	1.4
295.09607	2.2
296.06793	1.2
297.04434	0.9
297.07535	4.5
298.08304	0.8
299.09091	5.1
300.06305	2.5
303.06641	0.7
305.08121	2.5
306.08597	0.9
307.06253	1.1
307.09650	3.9
308.06757	2.4
308.10428	6.0
309.07571	4.3
309.11249	9.2
310.08319	1.0
311.05737	0.8
311.09164	2.4
311.12561	1.1
312.06311	1.4
313.06949	0.6
315.08658	5.0
317.08218	1.8
319.06030	2.4
319.09695	1.6
320.06845	0.8
320.10452	1.5
321.07629	3.0
321.11298	1.6
322.08157	0.8
323.09216	4.3
323.12637	0.9
324.09824	3.1
325.10672	1.6
326.11435	5.2
327.08597	17.2
328.05695	0.8
328.09116	2.1
329.06696	1.0
329.10016	2.8
333.07602	1.4
334.08313	2.5
335.09094	5.4
336.09872	3.1
337.06937	1.7
337.10788	3.4
338.07907	0.8
338.11441	1.2
339.12265	9.2
340.12872	1.6
341.10226	2.0
341.14001	1.4
342.10962	26.3
343.08014	1.6
343.11621	2.3
348.10349	0.8
349.10721	6.7
350.11444	4.6
351.08618	7.9
351.12393	3.2
352.09296	4.4
353.10135	5.5
353.13794	0.7
354.10773	1.0
356.12695	2.9
357.09579	4.9
358.10425	1.7
359.11194	8.4
360.11807	0.7
365.10040	0.9
366.11029	4.5
367.11710	9.4
368.12341	1.8
369.09363	0.7
369.13354	1.9
371.14893	9.2
377.10483	0.9
378.10776	1.2
379.11984	1.3
381.13309	44.0
382.13718	4.3
394.10580	1.6
398.87613	0.6
399.14371	33.3
400.14615	3.6
409.12775	18.9
410.13278	1.7
413.15915	10.4
441.15381	5.6
446.13599	0.7
481.18433	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
69.05066	0.5
69.05470	2.0
72.08162	0.3
79.56774	0.3
83.01114	0.8
86.09694	0.3
95.01095	1.6
96.01872	0.6
106.12231	0.2
112.01379	0.5
113.02171	1.6
113.02845	0.4
123.04485	0.5
139.03867	0.4
157.04706	0.5
159.04178	2.2
167.03224	0.5
185.04233	3.6
201.03790	1.0
203.05362	0.5
218.21449	0.3
243.08347	0.4
263.76419	0.2
337.12585	0.9
351.10687	1.5
365.12210	0.9
366.12912	2.1
367.13599	0.6
409.14636	0.4
441.17346	3.7
483.18240	0.3
603.22552	100.0
604.22906	9.4
604.32666	0.5
628.07257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
69.05066	0.5
69.05470	2.0
72.08162	0.3
79.56774	0.3
83.01114	0.8
86.09694	0.3
95.01095	1.6
96.01872	0.6
106.12231	0.2
112.01379	0.5
113.02171	1.6
113.02845	0.4
123.04485	0.5
139.03867	0.4
157.04706	0.5
159.04178	2.2
167.03224	0.5
185.04233	3.6
201.03790	1.0
203.05362	0.5
218.21449	0.3
243.08347	0.4
263.76419	0.2
337.12585	0.9
351.10687	1.5
365.12210	0.9
366.12912	2.1
367.13599	0.6
409.14636	0.4
441.17346	3.7
483.18240	0.3
603.22552	100.0
604.22906	9.4
604.32666	0.5
628.07257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85347	0.2
69.07888	0.8
69.08311	1.5
79.01460	0.3
81.07039	0.3
84.31268	0.3
147.04173	0.3
225.12170	0.3
273.04047	0.6
301.03574	0.4
303.04831	0.5
313.03555	0.3
381.20486	0.6
397.20059	0.5
399.21481	0.7
433.23392	0.3
435.25269	0.3
451.24500	1.4
453.26151	0.8
461.23074	0.9
467.23990	0.3
469.25662	0.8
477.22342	1.8
479.24069	4.3
480.24731	0.4
495.23499	7.6
496.23685	0.6
497.25110	7.9
498.25583	0.8
513.24347	2.2
523.23145	0.8
524.23718	0.3
541.24023	6.6
542.24292	0.6
585.22675	0.9
603.23999	100.0
604.24365	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82311	0.2
65.64700	0.1
69.47848	1.1
80.02405	0.5
81.95108	0.2
98.22688	0.4
109.02636	0.3
152.04434	0.3
175.82025	0.2
179.06824	0.4
189.12781	0.3
219.06384	0.2
247.05940	0.2
249.10973	1.1
250.11887	0.3
278.97092	0.2
295.11633	0.2
311.99963	0.2
329.26022	0.2
371.00989	0.2
465.22714	0.2
483.23682	1.3
493.21622	0.3
511.22906	0.9
513.24622	0.3
523.22949	0.2
539.22668	0.5
541.24188	1.6
557.23511	1.9
558.24384	0.2
559.25262	0.7
567.22253	0.3
575.24829	0.3
585.23077	3.2
586.23761	0.3
603.24066	100.0
604.24426	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75122	0.2
54.65506	0.2
69.03000	0.3
69.03307	1.2
69.03722	1.2
80.02409	0.6
109.02651	0.7
152.04453	1.3
153.05148	0.3
156.89073	0.3
161.55013	0.2
179.06824	0.7
249.11002	2.1
250.11740	0.6
263.12561	0.4
280.28305	0.3
315.15714	0.7
325.14575	0.3
343.15118	0.9
483.23389	1.3
493.21881	0.8
511.23050	4.1
513.20428	1.6
523.22870	0.5
529.24042	10.9
530.24542	1.1
531.73779	0.3
539.22876	1.2
541.24176	3.2
542.24048	0.4
557.23462	6.5
558.24005	0.7
559.25238	0.8
585.22717	0.8
593.75995	0.3
603.24109	100.0
604.24445	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.241
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06305	0.4
63.06571	0.4
69.06675	2.4
69.07104	1.5
72.83581	0.4
99.58941	0.5
113.92895	0.4
123.04453	0.6
131.92220	0.4
137.06032	0.4
236.56709	0.4
249.89095	0.4
271.13229	0.5
272.48123	0.4
287.97617	0.4
338.17413	0.4
393.66922	0.4
395.14697	0.6
425.15753	3.1
441.18781	2.3
557.20197	2.6
603.24048	100.0
604.24438	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30160	0.3
74.94540	0.2
80.02389	0.3
83.70808	0.2
85.02921	0.4
109.02661	0.2
110.14069	0.2
127.03981	0.3
137.05972	0.3
146.58392	0.2
149.05916	0.2
193.08757	0.2
245.11798	0.4
249.10980	1.3
263.12918	0.3
283.02490	0.2
373.07367	0.2
441.24887	0.3
443.04984	0.2
483.23425	1.4
493.21912	0.4
511.23132	0.4
513.24591	0.3
523.23083	0.3
529.24225	0.2
539.22321	0.3
541.24237	1.5
557.23523	1.7
559.25299	0.6
567.22241	0.4
575.24945	0.7
585.22845	3.1
586.23187	0.3
603.24072	100.0
604.24420	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71436	0.4
58.59776	0.4
71.30538	0.6
76.54765	0.4
94.68474	0.4
105.07075	0.4
107.08652	0.4
109.02654	0.4
123.04462	0.7
131.04974	0.4
132.96344	0.4
139.03938	0.5
147.72319	0.4
165.05481	0.4
179.06851	0.7
229.08675	0.6
249.11003	3.8
289.14441	0.9
495.23853	0.6
511.22971	0.8
513.25110	0.8
515.88623	0.5
523.23407	0.7
529.24213	3.5
541.24011	3.1
557.23639	4.6
575.24402	0.7
585.23035	1.2
603.24023	100.0
604.24615	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.05520	15.7
59.04992	7.0
60.87004	3.2
64.07050	3.0
67.05508	13.8
69.07069	7.3
71.29944	3.5
71.30310	3.5
75.04460	3.6
79.05499	12.0
81.07058	34.3
83.04975	11.7
91.05478	22.8
93.07034	17.7
95.04986	3.8
95.08595	20.7
105.03385	9.5
105.06371	5.5
105.07034	64.7
107.08596	22.3
109.10176	10.4
115.05439	6.6
117.07001	16.5
118.19169	3.0
119.04958	5.1
119.08574	53.2
121.10133	9.2
129.07042	5.4
130.07806	9.7
131.08571	30.7
132.05733	7.2
133.10121	23.7
143.08572	7.7
144.09340	5.3
145.10115	89.3
146.10614	4.4
147.08055	7.6
147.11670	23.1
157.10172	4.5
158.10847	4.5
159.11707	59.4
160.12039	4.8
161.13248	58.2
162.12268	3.0
171.11642	3.5
173.13280	11.0
175.14816	5.4
181.47240	2.8
187.14835	5.5
194.07121	3.8
195.08031	5.3
198.06554	4.1
199.07611	5.3
201.16377	94.3
201.18192	6.1
202.17015	11.9
203.17964	34.1
207.10143	23.3
209.06000	4.1
209.09653	3.9
210.06812	4.7
211.07559	5.2
212.04678	4.0
223.07509	6.7
224.08432	6.4
225.09094	5.2
227.07013	7.4
233.26807	3.1
235.07542	4.8
239.07111	9.1
239.10669	3.6
240.04195	4.5
240.07773	5.6
241.04984	3.1
241.08630	7.5
242.09566	3.5
245.07996	3.5
249.09322	3.5
251.07072	11.9
252.07782	6.2
253.04939	3.8
253.08566	9.8
254.09398	3.8
255.06598	12.1
255.10143	4.1
256.03387	3.6
257.04395	3.4
257.07959	6.0
263.06940	5.4
264.07684	4.3
265.08691	6.5
266.05630	5.4
266.09433	3.8
267.06534	9.5
267.10123	8.4
268.07364	9.6
269.04312	5.5
269.08041	10.0
270.05020	4.4
270.08908	4.2
271.02386	3.5
276.07693	3.4
279.06509	8.3
280.07175	3.9
281.05118	3.0
281.08081	15.4
282.05472	6.5
282.08804	12.3
283.06021	8.1
283.09674	8.6
284.06723	12.7
285.07751	6.3
285.11087	6.1
286.04608	5.1
291.06427	4.9
293.08029	10.8
294.08630	7.6
295.06247	3.9
295.09686	10.2
296.06918	5.6
296.10269	6.1
297.07587	9.3
297.11008	4.8
298.08322	16.7
299.09064	10.0
301.06940	26.3
306.08862	5.0
307.09460	4.5
309.07632	12.0
309.11322	8.9
310.08255	15.9
311.08981	23.7
312.06262	4.5
312.09912	10.2
313.07050	13.7
313.10690	28.6
314.07739	4.0
321.11081	5.8
323.09036	11.7
324.09827	6.6
325.07202	5.8
325.10617	18.4
327.08569	25.4
327.12338	15.1
328.09415	19.4
329.06665	29.4
329.10135	6.2
336.10037	5.9
337.06979	4.4
337.10712	9.0
339.08533	8.9
340.09366	8.3
341.10199	72.7
342.10751	6.5
343.11810	5.9
352.09430	5.1
353.10086	4.3
355.11722	41.5
357.13394	19.0
365.10184	7.5
367.11707	19.4
381.13354	3.4
382.14008	9.0
383.11288	100.0
384.11874	12.6
385.12830	75.6
386.13226	6.1
387.18213	4.8
401.12305	11.4
450.06073	3.1
546.25763	4.3
559.26642	20.4
585.28314	11.8
596.82587	3.8
603.29468	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.7
55.01875	16.5
55.05508	35.7
57.03439	17.9
57.90856	1.8
59.85598	1.8
59.85904	1.6
63.34528	1.9
65.03156	2.0
65.03421	3.0
65.03945	7.6
65.71301	1.9
67.05505	47.9
69.03422	11.2
69.07066	14.0
69.25136	12.6
71.05007	6.9
77.03898	2.6
79.05016	3.0
79.05489	60.8
80.05831	3.3
81.03415	81.9
81.07054	48.6
81.52706	2.0
83.04970	21.9
83.08624	27.6
85.02903	30.8
85.06550	5.6
87.94563	2.3
91.05474	63.8
91.05997	3.6
93.03419	2.4
93.07043	37.5
95.04964	63.6
95.05538	4.1
95.08611	20.1
97.02882	10.8
97.06550	6.5
97.10148	19.0
99.04443	4.5
99.08102	1.9
103.05453	11.0
105.07026	41.0
107.04958	26.4
107.08590	25.8
109.02866	20.1
109.06521	10.7
109.10175	8.3
111.04448	15.0
111.08071	11.0
113.05981	2.5
115.05424	15.4
116.06257	2.2
117.07014	19.3
119.04980	7.1
119.08582	26.4
121.02856	12.7
121.06488	16.8
121.10159	15.8
123.04462	8.9
123.08132	6.1
123.11742	3.3
125.09651	13.3
127.03944	3.1
128.06250	8.1
129.07004	26.8
131.04918	18.7
131.08565	23.5
133.06468	15.0
133.10114	15.3
135.04424	4.7
135.08061	9.2
135.11725	7.0
137.02386	6.3
137.06033	3.7
137.09642	4.8
139.07536	2.3
141.07019	7.3
142.07773	4.1
143.08566	11.5
144.05731	3.5
145.06487	23.7
145.10088	13.6
147.04427	16.3
147.08017	14.9
147.11699	16.4
149.06061	8.6
149.09599	10.0
153.01941	2.3
153.07011	4.9
153.09183	2.5
154.07765	3.8
155.08560	10.9
157.06519	10.3
157.10130	15.1
159.04428	3.9
159.08044	11.0
159.11768	6.3
160.05289	7.1
161.05972	23.7
161.09624	5.4
163.03926	3.0
163.07600	5.4
163.11209	15.2
165.05545	3.1
165.06993	3.7
165.09186	3.3
165.12830	3.7
167.08629	3.7
169.06522	3.7
169.10194	5.2
171.04491	2.3
171.08086	11.9
171.11722	3.3
173.05980	32.4
173.09645	5.7
173.13292	2.2
174.06815	8.5
175.03925	4.4
175.07663	5.2
175.11182	13.5
177.05606	3.3
179.08588	3.9
181.10201	4.8
181.12297	5.7
183.08099	4.6
183.11755	5.7
184.08827	2.2
185.05978	3.1
185.09709	4.7
185.13318	3.0
186.06847	4.3
187.07529	14.5
189.05472	31.4
189.09247	2.4
189.11249	5.1
190.06258	2.3
191.07076	3.4
191.10768	6.5
193.12227	45.2
193.13991	2.5
195.08098	5.2
195.11684	3.9
197.09668	3.0
199.07632	6.1
199.11234	3.2
201.09183	5.5
203.07018	2.8
203.10707	4.9
205.10286	2.5
205.12314	3.3
207.11760	2.4
209.09621	2.2
209.13245	2.8
211.07643	2.4
211.11282	5.2
211.13239	41.8
213.09108	3.4
213.12831	2.4
215.10606	2.9
227.12836	7.2
229.12263	3.7
231.13869	3.9
237.12877	5.8
241.12250	4.6
255.13892	13.6
257.15488	7.4
259.13474	3.8
265.12210	2.9
267.15903	14.1
271.13358	4.3
273.14841	30.5
283.13086	17.0
285.14828	11.3
285.17517	14.8
289.14291	10.7
301.14310	100.0
302.14700	4.8
303.16028	5.4
315.15854	3.5
319.15179	12.5
323.16513	4.2
352.23917	2.3
357.17065	5.6
359.18652	4.6
367.22675	3.3
375.18057	18.9
393.19208	8.6
447.25348	3.7
459.27399	4.1
477.28717	4.3
493.25919	6.1
511.26804	4.7
529.27924	2.8
539.29822	2.2
543.29419	3.0
549.29980	2.9
555.29419	2.4
567.29529	13.7
573.30536	23.5
585.30573	73.1
586.30774	12.6
603.07697	4.2
603.31769	79.2
604.32440	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10700	8.6
69.11115	6.4
102.95345	2.1
104.10732	3.2
104.19090	1.8
110.72486	1.9
154.67686	2.1
178.07680	2.1
179.08618	4.0
194.07242	3.7
205.06448	3.9
206.07310	3.1
207.08089	3.3
209.06151	2.4
209.09637	2.3
211.07547	3.9
219.08133	3.7
221.05974	2.3
222.06757	6.1
223.07411	3.9
224.08336	4.2
225.05513	2.4
227.07085	1.8
233.05988	3.6
234.06705	4.4
235.07570	8.2
236.04631	2.6
236.08244	4.1
237.05510	4.6
237.09174	7.1
238.06233	2.2
239.07063	3.1
239.10754	4.7
241.08508	2.5
250.06287	8.1
251.07072	7.3
252.07837	12.0
253.08618	5.7
254.05704	6.0
254.09422	1.9
263.07074	4.7
264.07813	5.6
265.05148	4.2
265.08609	20.3
266.09250	4.5
267.06808	3.8
267.10162	20.9
268.07251	6.4
268.10797	2.6
269.08096	4.3
271.05972	3.9
279.06302	3.3
280.07336	6.8
281.08124	5.7
282.05115	2.8
282.08691	3.2
283.09744	2.5
284.06757	3.3
285.07712	2.2
291.06729	4.4
292.07175	3.3
293.08112	25.3
294.08762	6.6
295.06262	3.3
295.09583	33.6
295.12949	2.5
296.06873	2.7
296.10251	5.2
297.07639	4.4
297.11230	6.5
299.09286	3.6
299.12833	2.6
300.06427	3.2
308.06763	2.7
309.07538	6.6
309.10992	2.0
310.08395	5.9
311.09149	4.2
312.09848	2.3
313.07065	4.5
315.08694	12.0
323.09244	5.2
324.09872	2.9
325.10684	37.8
326.11322	6.1
327.08597	11.7
327.12292	6.2
328.09116	5.6
329.10266	11.8
340.09549	2.7
341.10318	3.3
342.10995	30.8
343.11392	4.9
355.11758	100.0
356.12048	9.6
357.13312	82.8
358.13742	6.3
359.11307	8.0
367.11801	5.0
381.13321	9.1
399.14368	10.8
532.95013	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.6
55.05521	2.6
57.03444	2.6
67.05501	3.7
69.03423	4.4
70.25592	5.8
70.76501	1.8
73.14697	2.4
79.05489	4.8
79.20655	2.2
81.07060	10.2
81.18214	1.8
82.60425	1.9
83.04975	2.1
91.05473	7.2
93.07022	5.9
95.04971	6.8
95.08611	7.3
105.07030	9.3
107.08586	5.9
109.06522	13.3
111.08088	2.7
114.04375	2.2
117.07012	9.0
119.08598	6.4
121.06508	4.7
121.10172	2.2
123.04404	3.5
123.08103	10.4
128.06235	2.4
129.06981	4.8
131.08556	8.0
133.10129	5.5
135.08063	6.5
137.05975	11.4
139.07524	3.2
141.06973	6.5
142.07776	3.0
143.08553	7.9
145.06450	3.5
145.10161	12.2
147.08000	5.1
147.11632	2.9
151.07533	3.0
154.07819	5.0
155.08551	18.6
157.06580	3.3
157.10091	6.1
159.08064	9.2
159.11716	7.6
161.09618	7.1
163.11182	2.7
167.08566	4.0
168.09291	2.4
169.10120	22.6
171.08060	4.5
173.09599	7.8
179.08575	5.5
181.10104	4.7
183.08116	2.5
183.11653	5.5
185.09619	8.0
187.11171	16.6
189.09116	7.1
191.06999	2.6
191.10675	2.7
193.10219	4.5
195.08109	2.8
195.11717	5.1
197.09555	6.0
199.07541	3.9
199.11133	2.7
201.09131	3.4
201.12703	2.5
207.10004	2.4
207.11742	2.3
209.09692	4.3
211.11127	3.5
213.09212	5.8
213.12915	2.2
215.10716	5.6
219.11792	2.6
223.11160	6.2
224.12129	2.2
225.09048	3.3
227.10818	2.6
233.13312	4.9
237.12788	5.2
247.11002	3.1
249.12683	4.0
251.10680	2.3
261.12741	2.4
263.14304	3.5
265.12186	2.1
273.16220	4.0
275.17776	3.1
277.15952	4.7
279.13782	3.2
281.15396	2.7
291.13980	3.3
291.17328	4.3
293.15341	2.4
301.15784	2.6
303.17072	2.5
315.17404	3.1
319.16989	5.4
329.15378	4.3
335.20395	2.5
337.14252	3.1
337.18134	4.9
347.16397	6.9
349.17929	2.3
361.18152	2.9
365.17569	14.9
371.16321	2.6
375.15634	5.9
377.21234	3.8
389.17340	3.0
393.16638	22.4
393.20908	5.3
395.22052	7.1
397.16574	3.4
403.19061	6.2
407.18341	6.0
417.16544	3.2
421.20023	28.0
423.21640	10.4
435.17825	16.7
439.20972	13.6
449.19363	6.2
453.19125	30.4
454.19284	2.8
463.20847	11.2
465.22571	5.5
467.14755	3.0
467.20792	31.0
468.21396	3.2
481.22070	9.6
482.21762	2.5
483.23776	12.1
491.20538	5.0
495.20050	3.5
509.21768	48.3
510.21848	3.9
510.46783	2.2
513.21204	71.9
514.21478	7.0
527.22760	56.0
528.22882	5.9
541.23840	5.3
543.26129	3.5
569.23822	100.0
570.24042	9.0
587.24994	4.5
604.27094	7.5
605.23157	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62678	3.2
60.05626	4.1
67.05494	3.9
69.03429	8.7
71.17232	4.8
79.05514	3.8
81.07056	8.7
83.04955	4.9
91.05441	11.6
93.06995	4.3
95.08601	5.7
105.07005	9.9
107.08572	8.4
109.06516	10.9
111.08070	4.9
115.05533	3.9
117.07020	10.6
119.08609	6.9
120.09122	3.9
121.06516	4.3
121.10220	5.4
123.08083	7.5
129.07019	7.9
131.08554	10.6
135.08040	10.1
137.06042	9.5
137.09595	6.2
141.07004	9.0
143.08543	11.9
145.10115	13.2
146.96680	3.8
147.08022	10.8
149.09662	4.4
151.07547	5.0
154.07761	5.4
155.08557	27.5
157.10091	6.1
159.08028	9.8
159.11681	12.7
161.09650	8.0
167.08615	5.8
169.10095	29.9
170.10767	4.0
171.11586	6.9
173.09621	8.8
175.07524	4.8
181.10179	5.2
183.11664	8.0
185.09625	6.7
187.11159	25.8
197.09653	8.2
201.12805	4.0
213.09102	7.3
217.12280	5.6
223.11006	4.0
224.86734	3.8
249.12881	4.1
275.17828	3.6
277.15952	4.9
279.12289	6.6
281.15256	3.7
287.14423	5.8
301.15759	7.5
347.16483	6.0
393.16373	6.2
393.20764	7.6
395.22006	11.0
405.20715	3.7
417.20883	4.3
421.20081	33.7
423.21698	9.9
435.22275	4.9
437.23245	10.2
439.21002	21.1
449.19672	4.6
453.23004	7.8
463.21268	36.2
465.22516	13.3
467.14682	6.2
467.20685	80.9
468.21033	9.1
481.22046	14.5
482.22513	4.5
483.23749	66.9
484.24240	5.0
485.21289	5.1
491.20428	14.6
509.21707	47.7
510.22162	5.7
527.22693	100.0
528.22986	10.7
541.23889	6.2
569.23938	31.1
570.24127	4.7
604.28284	8.7
605.23090	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29303	0.6
50.33292	0.6
51.21404	0.7
55.09426	0.7
58.77828	0.9
75.71886	0.6
98.22739	2.4
109.10080	0.6
153.07133	0.9
181.06535	0.9
197.09615	0.7
198.96822	0.6
201.14384	0.6
209.09634	1.2
210.06905	1.3
211.07552	2.0
219.08072	0.8
220.08879	1.0
221.09706	1.0
223.07623	1.0
225.05589	1.1
225.09210	1.3
226.06227	0.9
227.07004	1.9
228.07732	1.0
235.07607	0.7
235.11186	1.9
237.05533	1.6
237.09209	2.5
238.09891	0.9
239.07109	1.6
239.10695	1.6
240.07704	0.9
241.08458	0.8
248.08383	1.7
249.09192	3.9
250.09885	1.1
251.07079	1.9
251.10655	2.3
252.04222	0.9
252.11430	1.9
253.08577	2.1
253.12398	2.1
254.09543	0.9
255.06609	1.3
255.10335	1.0
256.07376	2.6
257.08112	2.6
259.06110	1.0
261.09247	0.8
262.09955	0.9
263.10675	3.7
264.11334	1.0
265.08640	5.5
265.12088	1.9
266.05869	2.1
266.09436	3.0
266.12921	0.9
267.06464	4.5
267.10168	0.9
267.13736	1.2
268.07260	0.7
269.04559	1.9
269.11765	1.5
271.09674	1.8
277.08737	3.9
277.12088	0.7
277.26410	0.7
278.09271	1.5
279.06970	1.0
279.10172	3.5
280.07639	1.6
280.10977	4.0
281.08163	3.0
281.11749	7.8
284.06729	6.4
285.07584	12.8
285.10834	1.3
291.10205	4.1
292.10812	1.6
293.08151	2.7
293.11826	5.5
294.08926	2.5
294.12430	2.4
295.09897	1.6
295.13361	7.9
296.13892	1.9
297.11322	3.9
297.98322	0.7
298.08444	1.2
298.11911	1.6
299.09174	6.9
300.09955	4.2
301.10129	0.7
302.07971	0.9
306.12427	1.3
307.09735	2.7
307.12994	0.8
308.10419	5.6
309.11194	13.1
310.11935	3.8
311.09174	1.2
312.13559	2.4
313.10767	1.2
313.14316	1.7
314.11407	9.9
317.10141	0.9
318.11057	0.9
322.11942	3.6
323.12857	8.9
324.13437	4.0
325.10669	4.1
325.14386	7.0
326.11462	1.6
327.15970	4.5
331.11954	1.3
337.14517	0.8
340.13086	9.4
341.13843	29.6
342.14325	1.5
355.15402	62.1
356.16165	90.5
357.16608	6.7
359.18509	4.4
387.18011	100.0
388.18350	7.9
541.01984	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48425	0.4
67.05491	1.1
69.07062	0.7
81.07063	0.9
83.04973	0.4
93.07044	1.1
94.18137	0.4
95.08594	1.1
96.47298	0.4
98.22466	0.8
99.04465	0.9
105.07053	0.5
107.08602	0.7
109.10184	0.4
117.07077	0.5
119.08585	1.0
121.10192	0.4
127.24593	0.5
133.10069	0.5
135.11676	0.8
146.10460	0.4
160.39186	0.5
171.08014	0.4
171.78889	0.4
173.09682	0.8
182.07164	0.5
183.08003	0.4
197.05917	0.6
201.09123	1.1
201.16396	1.0
202.09911	2.1
209.09668	1.0
210.06770	1.1
211.07518	0.8
219.08075	1.0
220.08943	0.9
221.09586	0.5
222.07019	0.6
223.00510	0.4
223.07664	0.7
224.08237	0.4
224.19078	0.5
225.09087	1.0
226.06401	0.8
228.07742	0.6
233.05942	0.5
233.09702	0.8
234.06639	0.7
234.10309	0.8
235.07536	1.3
235.11139	1.9
236.08076	0.4
236.12003	0.7
237.09105	3.8
237.12650	0.5
238.06145	0.8
238.09988	0.5
239.07040	1.5
239.10759	0.6
240.07883	1.0
241.05019	0.6
243.06487	1.0
247.07579	1.2
248.08319	2.4
249.09178	5.0
250.06264	0.8
250.09811	1.0
251.07111	0.7
251.10654	2.0
252.11520	1.8
253.08578	1.5
253.12177	0.8
254.09404	1.2
255.06351	0.6
255.10303	0.6
256.07288	1.6
262.09900	1.7
263.07190	0.9
263.10675	5.3
264.11331	1.4
265.08630	7.5
265.12177	1.9
266.09351	1.4
267.06512	1.0
267.10291	0.6
267.13846	1.6
268.07349	0.8
269.08398	0.6
269.11786	1.7
271.09610	1.2
276.07864	0.9
277.08621	3.9
278.09250	0.7
279.07019	0.6
279.10095	2.0
280.10928	7.4
281.08496	0.8
281.11658	3.5
282.08878	1.5
283.09644	0.7
284.06711	2.5
285.07510	1.0
290.09357	0.6
291.10092	3.9
292.10834	1.9
293.08105	4.2
293.11676	1.8
294.08875	0.8
294.12448	0.6
295.09903	0.9
295.13263	10.1
296.13901	1.0
297.11115	2.0
299.09103	3.0
304.52414	0.5
305.11819	0.5
306.12463	3.0
307.09619	1.2
308.10297	3.5
309.11194	7.3
310.08450	0.7
310.11829	1.1
311.09088	0.6
312.13504	1.8
313.10718	0.7
317.10223	0.8
317.58551	0.5
322.11905	1.0
323.12753	8.2
324.13489	5.1
325.10699	3.2
325.14056	1.0
327.15878	1.1
331.11819	0.5
340.13055	3.3
341.13901	1.6
343.31439	0.5
355.15399	100.0
356.15939	13.0
385.16534	0.8
387.18069	10.1
388.18219	0.9
401.16534	0.5
415.19003	0.6
429.20837	1.4
430.21304	0.5
443.22473	1.0
444.23306	0.9
445.23694	0.9
459.26108	0.5
470.19260	0.5
473.23511	1.1
487.25061	3.2
517.26276	0.7
545.25360	2.4
573.25165	0.5
597.69489	0.5
604.36377	1.8
605.27606	15.7
622.41876	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	11.3
69.07058	3.2
70.65781	3.2
71.30148	5.5
79.05475	7.9
81.07051	15.9
91.05486	5.9
93.07021	7.0
95.08597	8.1
107.08595	8.5
109.10154	9.9
117.36643	3.7
119.08573	10.0
131.08583	5.2
133.10141	5.8
143.08594	4.2
145.10141	5.0
159.11809	4.2
198.52443	3.3
203.17978	3.7
235.11142	4.4
235.16943	5.7
263.10867	4.9
264.11447	4.2
265.08624	6.4
280.10938	8.4
295.13260	9.7
323.12720	6.5
324.13614	7.3
355.15402	100.0
356.15924	14.4
387.18158	25.1
562.57379	3.8
605.29431	4.4
605.40643	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07064	0.9
71.80713	0.7
81.07037	0.7
95.08572	0.7
98.23113	4.3
101.06042	0.9
134.85478	0.8
141.61809	0.7
173.09628	1.2
193.10263	0.7
207.11827	0.8
209.09578	0.9
214.67268	0.8
220.08835	2.0
221.09628	1.7
222.10745	0.8
223.07570	1.1
225.09111	2.3
227.07022	1.0
233.09787	0.8
235.07686	0.8
235.11153	2.5
236.12018	1.3
237.09142	6.4
238.10123	1.1
239.07120	0.9
239.10623	1.5
240.07785	0.8
241.04999	1.5
241.08589	1.2
242.05678	1.3
243.10240	0.9
248.08405	3.3
249.09142	2.8
249.12831	0.9
250.09818	1.9
251.07048	2.0
251.10501	3.7
252.11366	4.3
253.08604	4.0
253.12241	1.5
254.09454	1.4
255.06532	1.5
255.10175	1.8
256.07352	2.6
257.08081	2.2
262.09888	1.7
263.10660	5.9
264.11365	1.7
265.08621	8.5
265.12155	3.9
266.09369	2.4
267.06659	1.4
267.10275	3.5
267.13803	2.4
269.08563	0.9
269.11639	3.9
270.08664	1.3
271.09601	3.6
273.07660	1.1
276.08218	0.8
277.08560	2.0
278.09326	1.1
279.06668	1.2
279.10239	2.7
280.10925	9.8
281.08127	2.8
281.11691	8.5
282.08881	2.0
283.09695	1.2
284.06818	1.7
285.07635	9.9
285.10883	1.5
288.09790	1.3
291.10089	4.9
292.10715	1.8
293.08124	4.0
293.11304	4.2
294.08945	2.1
294.12543	2.2
295.09940	1.6
295.13232	16.9
296.13821	4.2
297.11249	7.3
298.08380	1.2
299.09213	5.3
300.09946	5.2
307.09738	1.7
307.13077	1.5
308.10349	6.2
309.11188	12.3
309.14868	3.4
310.11636	1.6
311.09183	0.9
312.13495	6.9
313.10709	1.9
313.14185	2.2
314.11554	6.9
315.12085	0.9
317.10275	2.3
322.12262	0.8
323.12769	16.9
324.13492	10.2
325.10611	3.8
325.14331	4.7
326.11374	1.9
327.15860	10.7
337.14349	4.8
340.13065	3.4
341.13840	18.6
341.17737	1.7
342.14124	2.0
345.13089	0.9
354.14420	1.1
355.15405	100.0
356.16129	77.3
357.16656	6.9
359.18506	10.3
369.17072	1.3
387.18005	99.3
388.18436	5.7
462.72348	1.0
545.25507	1.5
605.27081	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40050	0.6
59.72044	0.7
63.82623	0.6
69.08701	6.2
81.85979	0.6
86.76256	0.7
100.05922	0.6
104.55907	0.7
175.78432	0.8
380.46063	0.8
556.91290	0.7
584.45197	0.7
605.19855	100.0
606.20190	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94235	3.0
55.05322	3.7
55.05518	42.2
63.12664	3.2
63.17616	3.4
71.30901	3.6
83.04975	45.7
94.92395	3.5
104.51814	3.3
105.03413	9.1
108.93354	3.3
140.27136	3.1
143.91058	3.3
228.04155	9.9
239.06795	4.0
253.04886	4.1
256.03644	8.9
265.04834	6.6
279.06519	5.4
283.02240	3.5
283.06085	13.0
284.03116	25.5
293.08087	7.7
295.09601	8.6
299.05496	100.0
300.05780	10.9
307.06012	4.3
309.07587	6.8
311.05554	4.1
312.06137	6.1
313.07010	5.9
314.07880	5.9
315.08484	7.5
323.05740	5.8
323.08981	20.8
325.07037	9.4
326.07922	7.3
335.05664	4.8
337.10773	6.9
338.07959	4.1
339.08588	12.5
341.10132	9.8
343.08221	18.8
350.07813	4.8
353.10248	7.5
355.11621	6.4
356.12103	6.2
359.13980	3.9
365.10291	14.9
374.36523	4.3
381.09668	81.8
382.10114	6.1
383.11374	9.1
396.12134	8.1
425.01675	3.3
510.98767	4.1
512.10803	4.2
558.94769	3.5
634.29431	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94235	3.0
55.05322	3.7
55.05518	42.2
63.12664	3.2
63.17616	3.4
71.30901	3.6
83.04975	45.7
94.92395	3.5
104.51814	3.3
105.03413	9.1
108.93354	3.3
140.27136	3.1
143.91058	3.3
228.04155	9.9
239.06795	4.0
253.04886	4.1
256.03644	8.9
265.04834	6.6
279.06519	5.4
283.02240	3.5
283.06085	13.0
284.03116	25.5
293.08087	7.7
295.09601	8.6
299.05496	100.0
300.05780	10.9
307.06012	4.3
309.07587	6.8
311.05554	4.1
312.06137	6.1
313.07010	5.9
314.07880	5.9
315.08484	7.5
323.05740	5.8
323.08981	20.8
325.07037	9.4
326.07922	7.3
335.05664	4.8
337.10773	6.9
338.07959	4.1
339.08588	12.5
341.10132	9.8
343.08221	18.8
350.07813	4.8
353.10248	7.5
355.11621	6.4
356.12103	6.2
359.13980	3.9
365.10291	14.9
374.36523	4.3
381.09668	81.8
382.10114	6.1
383.11374	9.1
396.12134	8.1
425.01675	3.3
510.98767	4.1
512.10803	4.2
558.94769	3.5
634.29431	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	6.5
53.12590	4.6
53.46950	6.3
55.05516	11.5
62.33131	4.8
64.48741	4.2
67.05502	17.0
69.03434	44.1
79.05488	10.6
81.07078	15.8
83.04990	13.4
83.08624	5.1
83.80471	4.4
83.85221	4.6
84.85475	4.7
91.05495	16.3
93.07069	13.1
95.04986	8.1
95.08603	8.8
99.04470	46.2
104.92404	4.8
105.03391	12.9
105.07034	14.3
107.08623	7.4
115.05468	4.8
119.08611	12.6
127.03936	19.4
128.95242	4.7
132.05719	15.8
145.06529	5.1
145.10150	11.0
147.08025	11.4
157.10144	5.6
159.11679	6.4
167.08572	5.5
175.07578	6.7
175.11206	5.1
179.10742	7.1
197.75121	5.5
205.06532	8.4
207.10173	39.5
222.06702	8.5
223.07568	5.6
233.05951	5.6
235.07562	10.8
237.05391	9.5
237.09103	9.7
238.06201	7.5
239.03410	18.1
239.07133	6.7
249.05533	11.0
249.08917	5.1
250.06297	10.6
251.03375	29.2
251.07100	9.2
252.04227	9.9
253.05070	9.1
263.07056	10.9
264.08014	6.6
265.05035	17.5
265.08649	20.5
266.05795	27.0
267.06500	15.8
269.07794	5.4
277.04883	6.3
277.08691	7.0
278.09311	5.5
279.06583	15.4
280.07150	25.8
281.04388	11.1
281.07974	11.4
282.05206	14.7
291.06668	8.7
292.07379	16.8
293.04361	15.4
293.08105	17.1
294.05228	15.6
294.08679	11.4
295.06082	10.6
295.09723	16.7
296.06796	6.2
297.07602	94.3
298.07986	13.2
305.08051	8.2
306.08990	5.4
307.06125	12.6
308.06744	23.6
309.07394	11.8
310.08167	7.1
311.05533	19.5
311.09009	9.5
312.06149	5.4
313.07071	13.3
313.10556	6.0
322.08359	16.7
322.17114	6.3
323.05258	8.0
323.09097	100.0
324.09924	19.7
325.06989	14.0
325.10721	13.4
326.07901	23.5
327.08844	10.3
327.12378	6.0
332.06741	5.2
337.10648	14.1
338.11636	9.5
339.08688	8.6
339.12381	7.9
340.09464	14.1
341.10220	8.7
347.09424	5.7
348.09872	6.2
349.10880	7.0
353.10214	69.0
354.10919	7.3
355.11722	58.3
357.09763	20.0
365.10400	9.0
366.10880	17.5
367.11765	19.2
369.13300	11.3
379.11853	17.1
383.10681	7.2
396.12082	6.6
397.12915	41.5
405.09360	16.4
426.13474	7.6
466.71194	5.4
505.14499	24.2
605.30621	6.6
606.33929	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34223	0.8
53.03940	1.2
55.05510	33.9
55.90104	1.0
56.18425	0.7
69.45692	2.5
69.46107	2.7
81.07045	1.1
83.04979	31.4
91.05489	1.1
92.80376	0.9
98.23009	3.0
105.07002	1.0
109.02891	1.7
114.07236	1.0
119.08557	1.0
137.02403	0.9
145.10085	0.9
147.18411	0.9
160.08789	0.9
165.05504	5.6
165.07030	3.6
166.07748	0.9
167.03421	3.5
167.07059	2.4
173.09666	1.0
179.08551	1.7
181.06586	0.9
182.07234	6.7
188.08331	6.9
193.06619	1.1
194.07333	1.2
195.08060	1.4
196.08807	1.5
197.09566	7.8
199.07614	1.9
203.10651	9.0
204.23062	0.8
207.08067	1.6
210.06726	14.1
211.07550	1.4
212.08290	1.6
213.05437	1.0
213.09145	0.9
214.77338	0.9
216.11494	1.2
219.07954	1.2
222.06734	1.1
223.07460	2.3
223.76610	0.9
224.08382	1.5
225.09105	32.5
226.06259	2.2
226.09526	2.6
227.07030	2.6
231.10194	2.9
232.08711	1.0
235.07574	4.0
237.05441	1.1
238.06302	11.3
239.03346	1.1
239.06947	1.7
239.10748	1.1
240.07793	3.0
241.08690	2.0
242.09410	2.7
249.09129	1.6
250.06204	1.1
250.09938	2.4
251.07005	2.9
251.10727	2.1
252.07823	3.4
253.04919	1.9
253.08607	30.9
254.05734	3.1
254.09164	2.3
255.06537	2.9
255.10065	1.8
256.07190	1.0
257.04465	1.9
257.11703	1.2
261.09085	2.0
262.09988	1.1
263.07056	2.9
264.07645	1.6
265.04767	0.9
265.08676	1.6
265.12277	2.2
266.05750	4.9
266.09171	1.7
267.06476	3.0
267.10175	3.6
268.07260	7.3
269.07968	2.0
270.08917	3.1
271.05933	1.1
275.07108	0.9
276.07956	1.1
277.08484	2.1
278.09274	5.3
279.06659	2.0
279.10077	4.1
280.07330	2.9
280.10907	1.5
281.08078	60.5
282.08447	4.9
283.06363	2.0
283.09671	6.4
284.06610	1.2
285.03955	2.0
285.07843	1.6
285.11273	3.9
287.05551	1.0
291.06885	1.1
291.10135	3.1
292.10648	1.7
293.08090	2.3
293.11694	5.8
295.09500	6.2
295.12650	1.0
296.06830	3.2
296.10040	1.2
297.07593	3.7
297.11044	1.7
298.08313	4.0
299.05511	1.2
299.09125	2.2
300.06253	2.8
301.07175	1.3
305.08127	2.4
307.09604	2.3
308.10391	1.9
309.11075	2.4
310.08652	1.2
310.12180	2.4
311.09125	30.0
311.12769	1.6
312.09641	5.8
313.07040	3.3
313.10690	13.0
315.08621	11.3
317.06491	1.7
319.09503	2.2
320.10437	2.3
321.07751	1.8
321.11215	3.6
322.11826	1.5
323.09137	2.1
323.12842	3.9
324.09613	1.3
325.10730	1.3
325.14291	17.7
327.08578	2.7
327.23474	1.2
328.09433	3.6
335.08954	1.1
336.09924	3.6
337.10556	4.2
338.11319	1.3
343.11749	100.0
344.12054	6.5
351.12256	13.8
352.13046	5.4
353.10172	1.5
353.13855	17.7
355.15561	5.3
359.08817	2.6
367.12103	1.1
374.11166	2.3
375.12180	1.4
383.14862	48.5
384.15170	3.5
390.10422	1.8
400.11664	2.9
405.13068	26.0
406.13397	1.8
423.13962	4.3
425.15869	3.8
487.97791	1.2
505.18298	77.7
506.18735	8.5
531.26691	1.0
554.32703	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69577	0.9
55.05513	30.3
69.31796	3.2
69.32201	2.6
80.25773	1.0
81.07076	1.7
83.04984	31.9
84.05291	1.2
87.04464	1.1
95.08574	1.0
109.02863	1.7
112.82996	0.9
130.81479	1.1
143.08574	1.1
159.08109	1.4
161.82491	1.1
165.05473	4.7
165.07042	4.2
167.03403	2.1
167.07133	1.5
167.08571	1.8
169.43883	1.1
179.07085	1.8
179.08557	1.6
182.07275	5.5
188.08310	5.0
195.07977	2.6
197.09627	6.6
199.07491	1.2
203.10669	9.6
207.08072	1.7
208.75328	1.1
210.06711	10.7
223.07602	2.0
225.05685	1.6
225.09091	31.7
226.06233	2.2
227.07008	2.7
229.08539	1.5
231.10170	4.1
235.07538	3.4
238.06253	9.1
239.03276	1.1
240.07878	3.7
241.04916	1.1
241.08681	1.5
242.09349	2.1
249.09108	2.0
250.09856	1.2
251.07024	2.7
252.07817	3.9
253.08585	27.6
254.05742	1.9
254.08989	2.2
255.06532	2.8
255.10121	3.1
257.04324	1.3
259.07294	1.3
263.06992	1.8
263.10663	1.9
264.11551	1.4
265.08658	1.8
265.12329	1.8
266.05713	3.2
266.12833	1.1
267.06467	2.2
267.09973	2.0
268.07211	5.0
269.08014	2.3
270.08734	2.3
276.07980	1.8
277.08615	2.7
278.09399	4.0
279.10074	2.4
280.07419	2.6
280.10687	2.6
281.08069	59.9
282.08569	3.2
283.06342	1.6
283.09497	5.4
284.06699	1.2
285.04004	2.6
285.07593	1.6
285.11282	4.9
291.10190	2.2
292.10846	2.2
293.08139	2.9
293.11765	5.6
294.08502	1.5
294.12289	1.7
295.09628	4.2
296.06854	3.5
297.07730	3.3
298.08347	3.8
299.09033	2.6
300.06265	3.0
305.08096	2.3
306.08731	1.4
307.09573	2.6
308.10413	2.1
309.11081	1.3
310.11963	2.1
311.09106	31.5
312.09872	6.7
313.07349	2.1
313.10638	11.5
315.08658	11.7
317.06525	2.9
319.09747	2.4
320.10437	2.4
321.07559	3.6
321.11240	5.6
322.08350	1.9
323.09213	2.5
323.12857	5.5
325.10663	1.7
325.14255	19.6
327.08716	3.0
328.09381	4.8
336.09842	5.0
337.10687	3.9
338.07678	2.1
343.11752	100.0
344.12134	7.8
351.12244	14.1
352.13022	7.7
353.09860	1.6
353.13785	17.7
355.15329	6.2
359.08878	3.6
374.11224	2.9
375.07928	1.9
375.12140	2.0
383.14899	49.6
384.15347	3.2
390.10757	3.0
400.11279	2.3
405.13089	28.7
423.14078	4.5
425.15866	4.7
490.15710	1.4
505.18314	86.3
506.18478	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84715	1.7
69.03427	5.4
71.29720	2.9
75.98188	2.0
85.02908	4.1
91.05470	2.8
93.07047	2.8
97.02919	2.3
97.06511	5.1
99.63246	1.7
105.07041	4.4
107.08599	3.5
109.06473	2.1
111.04420	3.9
117.07096	1.9
118.49904	1.9
119.08591	8.0
121.06485	4.0
123.04412	3.1
123.08029	2.3
129.06967	3.5
131.08553	4.6
133.06602	2.0
135.08054	100.0
136.08389	2.7
137.05951	3.1
138.36436	1.8
141.07030	1.7
143.08534	2.8
144.92422	1.9
145.06451	2.1
145.10129	2.3
147.08055	2.6
151.07570	2.7
156.09384	7.2
159.08093	8.6
159.11676	13.6
163.07564	2.8
169.10172	4.3
171.11623	2.5
172.08829	7.9
173.09624	16.5
174.10048	2.2
175.07590	2.8
175.20821	2.0
185.09601	2.5
187.11183	43.7
194.81120	2.0
196.79086	2.0
197.09630	2.5
199.11189	10.1
203.10669	10.4
212.08411	4.1
215.10663	30.1
217.12247	8.1
219.13797	2.1
227.10710	6.0
233.11739	63.2
234.12140	2.9
245.11742	32.3
263.12793	57.5
264.12943	3.0
281.13965	2.5
308.28192	1.8
406.89166	2.1
434.65054	2.5
605.21838	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23909	1.3
91.05489	0.2
103.05473	0.2
115.05444	0.6
117.05758	0.3
117.07007	2.2
123.04409	0.4
132.08052	0.3
139.03902	0.6
143.07295	1.6
144.08083	100.0
145.06563	0.2
145.08409	3.2
155.06036	0.5
161.10741	15.0
162.11031	0.6
166.40651	0.2
504.12857	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81910	1.8
61.89340	2.2
63.02733	1.6
67.05484	3.0
69.03416	4.8
79.05489	6.8
81.07056	32.5
83.43626	1.7
91.05466	9.0
93.07032	2.1
94.28012	1.6
95.04964	3.4
105.07012	6.6
107.08595	4.2
109.06523	14.7
111.04466	4.0
111.08099	1.9
117.07019	7.1
119.08586	4.8
121.06547	3.9
121.70561	1.6
123.08080	3.4
123.70009	1.9
128.06238	5.6
129.06993	7.5
131.08534	8.7
133.06439	1.8
133.10130	3.0
137.05971	47.9
141.06966	4.8
142.07719	3.6
143.08565	19.4
145.06474	4.2
145.10077	4.7
147.08038	6.9
149.05986	9.8
151.03860	1.7
151.07570	1.9
154.07710	3.7
155.08537	8.1
157.06508	2.7
157.10075	5.2
159.08038	7.9
159.11674	3.6
161.09573	5.8
163.07489	2.6
165.06963	3.3
167.08478	2.2
168.09314	3.6
169.10135	7.9
171.08136	3.8
171.11664	7.1
173.09616	7.3
174.10353	2.0
175.07457	2.1
179.08569	4.0
180.09389	2.1
181.10161	6.0
183.11749	3.6
184.08878	2.2
185.09633	7.8
187.11169	11.8
188.11948	1.9
189.09152	7.3
192.09122	2.2
193.10100	4.0
195.07980	2.5
199.07492	3.4
199.11147	5.4
201.09113	4.7
201.12726	8.7
203.10626	3.2
207.11679	3.7
209.09627	3.0
209.13365	4.9
213.09065	3.0
215.16885	2.2
218.10980	2.2
219.10010	2.9
221.13211	3.5
224.11845	1.7
225.12737	2.2
227.10594	8.2
239.10632	3.2
239.14268	2.7
240.26059	2.1
245.11693	8.0
247.11206	3.3
249.12700	4.7
253.12163	2.9
255.10065	2.1
265.12277	4.4
267.13791	3.5
277.12100	2.2
277.15958	1.7
281.11688	2.3
295.13095	2.7
367.37964	1.7
383.10550	1.9
401.17572	1.9
405.20648	2.1
415.18967	6.4
419.18436	2.3
421.20120	12.5
422.20505	3.1
423.21555	8.8
431.18436	4.9
433.20166	13.5
435.21378	3.4
437.19376	2.4
443.18335	2.8
445.19910	6.7
449.19876	4.1
451.21158	26.4
452.21701	3.1
453.22824	4.1
461.14310	2.2
461.19672	21.9
462.19989	2.7
463.21225	10.9
467.20593	11.0
469.22232	8.7
469.90543	1.7
471.17987	3.4
479.20624	15.6
480.20370	3.0
481.22064	6.9
483.19852	4.0
489.19083	17.5
490.66080	2.0
497.21765	34.8
498.21878	5.2
507.20151	44.3
508.20380	6.2
515.22559	6.3
521.53778	1.9
525.21198	100.0
526.21509	10.8
543.22192	24.9
544.21985	2.4
561.23322	14.1
606.19934	25.5
606.28979	30.6
607.20239	3.9
607.29199	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
61.40927	0.9
69.03429	3.0
70.46426	3.0
79.05503	2.5
81.07046	14.2
83.04984	1.0
90.90878	0.9
91.05482	3.4
93.07079	2.0
95.04978	2.5
95.08562	0.9
97.02872	1.3
97.44293	1.0
98.55086	1.2
100.67215	0.9
105.07053	3.1
105.42206	0.9
107.08590	1.8
109.06515	8.8
111.04441	1.2
115.05482	1.0
117.07031	2.7
119.66502	1.1
121.06531	1.2
123.04469	2.0
129.07024	2.4
130.14117	0.9
131.04846	1.1
131.08569	3.2
133.06525	3.0
135.04425	1.5
135.08060	1.5
137.05969	24.6
139.03947	1.3
139.07487	1.2
141.06978	3.2
142.07690	1.4
143.08572	3.5
145.06456	4.9
145.10103	4.4
147.08057	1.6
149.05983	1.6
155.08574	4.4
157.10112	2.1
159.08067	9.0
161.05937	1.3
161.09608	1.9
163.07462	1.1
167.07156	0.9
167.08565	1.3
169.10179	1.7
171.08040	1.6
171.11719	1.2
173.09590	18.0
174.09990	1.2
177.87109	1.1
181.10147	1.6
183.08067	1.2
185.09628	4.0
186.06725	1.7
187.07549	2.4
187.11169	9.8
189.09126	3.5
193.08615	1.3
197.09654	1.6
199.07527	1.5
199.11171	3.9
201.09148	3.8
205.08641	2.4
209.09634	1.6
211.11183	2.1
213.09062	1.2
213.12714	1.5
215.10664	1.6
217.08522	1.4
219.10085	1.6
221.13470	1.0
223.11171	1.1
225.09172	1.0
225.12637	1.2
227.10612	4.3
229.08496	1.3
233.11760	3.7
235.11217	1.9
237.12917	1.3
239.10696	1.9
241.12273	2.7
249.12895	1.0
251.10806	2.4
251.14334	1.0
253.12332	2.7
255.10175	2.0
255.13850	1.4
265.12296	1.8
269.11639	2.1
281.11618	1.1
327.02396	1.2
347.16348	3.3
361.17755	1.2
371.16577	2.9
375.15576	1.4
380.19897	1.1
389.17349	4.6
399.15887	4.1
407.18423	10.8
408.18851	1.3
417.16855	15.0
419.18527	4.3
421.20087	3.3
431.18362	2.3
433.20108	1.1
435.18005	26.0
436.18585	2.1
437.19675	2.2
447.17780	4.6
449.19449	3.7
453.19046	16.1
454.18896	1.0
461.19449	1.8
465.18915	6.2
467.20557	11.5
471.19846	2.4
477.19199	3.1
479.20584	4.2
489.19086	6.9
495.20163	5.5
497.21729	3.6
507.20099	22.8
508.20490	2.1
513.20941	2.5
525.21179	100.0
526.21686	10.4
531.25745	2.9
543.22156	19.0
544.22369	3.6
546.22784	2.4
561.23132	16.1
562.23212	2.1
606.29889	8.9
607.20941	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05534	0.6
68.95517	0.6
69.03407	0.7
72.66299	0.6
79.05494	1.5
81.07051	6.6
91.05502	0.7
93.07071	1.1
95.08588	1.5
97.02914	0.9
97.06516	1.4
105.07046	1.4
109.06546	2.0
117.06998	1.7
129.07007	1.1
131.08574	1.8
133.06441	1.0
137.05991	8.3
143.08600	1.9
145.10184	0.8
151.07594	0.6
155.08534	1.4
159.08104	0.7
159.11763	0.9
161.09703	0.9
169.10164	1.2
173.09641	0.9
181.10269	1.1
185.09695	1.2
185.21477	0.7
187.11169	1.7
189.09064	1.2
193.10324	0.8
198.18610	0.9
201.12720	1.2
212.11728	0.8
227.10675	1.3
237.12621	1.0
245.11821	0.8
265.12061	0.8
354.51849	0.7
359.15042	0.8
407.70206	0.7
415.19373	0.7
421.20102	1.2
423.21750	0.8
433.20132	1.6
449.19467	0.9
451.21051	5.8
452.21515	0.9
461.19867	1.5
463.20868	1.3
467.20901	2.0
469.22372	2.6
469.37195	0.7
479.20718	2.4
481.22177	1.1
489.19217	1.4
497.21735	4.2
499.23114	0.7
507.20248	2.4
525.21161	9.2
526.22089	0.8
543.21814	1.2
561.23065	1.1
606.29065	100.0
607.29358	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05539	0.7
69.01505	5.5
69.01919	1.7
69.03423	2.5
79.05518	1.0
81.03419	1.5
81.07050	4.6
85.02913	5.1
85.99335	0.7
87.04485	0.8
91.05493	1.0
97.02898	5.5
98.23411	1.0
99.04465	3.0
103.03944	6.6
106.91972	0.7
109.02879	2.6
109.06529	2.4
115.03931	1.3
117.07047	0.9
127.03922	8.2
130.56157	0.6
135.08076	0.7
137.05957	8.1
139.03926	0.7
143.08607	1.1
145.04961	4.8
147.08058	0.9
159.08008	1.2
163.06053	2.3
169.10152	0.9
173.09671	3.5
177.05490	0.8
185.09727	1.0
187.11249	3.1
197.09729	0.7
199.11143	0.9
206.53065	0.7
217.12341	0.9
233.11752	2.6
253.12242	0.8
271.08142	0.9
295.12634	0.7
347.89792	0.7
407.18640	2.8
417.17102	1.2
421.19763	1.3
431.18433	1.2
434.05475	0.8
435.17847	3.7
436.18201	0.7
437.19611	1.1
449.19235	0.8
453.19208	5.8
465.19299	1.1
467.20496	4.5
471.19962	1.2
477.19208	2.0
479.20520	1.2
483.20206	0.8
489.18597	0.8
495.20065	1.9
507.19916	2.7
513.21368	1.2
525.21271	6.9
526.21570	1.4
606.29077	100.0
607.21368	1.3
607.29535	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.5
57.07072	2.5
59.05003	2.0
60.05627	1.7
62.06077	3.5
62.14829	1.7
65.32464	2.0
67.05505	5.2
69.03420	5.2
71.30550	2.4
73.22945	1.8
79.05490	6.7
81.03431	2.1
81.07066	21.7
83.04962	5.2
83.08616	2.5
85.02917	2.2
91.05477	5.5
93.07063	5.2
95.04959	2.1
95.08608	4.1
97.02853	2.3
97.06517	2.3
99.04439	3.9
105.07031	5.8
107.08591	4.6
109.06531	10.5
109.10165	2.1
111.08152	2.4
116.10709	4.3
119.08594	2.8
121.06480	2.7
123.08076	6.3
129.07005	5.3
131.08574	3.9
133.10135	2.8
135.08043	2.2
137.05972	23.5
139.00822	1.9
139.07617	2.7
143.08519	3.6
145.10129	3.6
147.08070	2.3
147.11650	1.9
149.02347	31.7
153.07042	2.4
155.08540	8.9
157.10129	4.4
159.08028	3.3
159.11638	3.9
163.07510	2.2
164.90788	1.8
165.07025	2.8
167.08517	3.4
169.10143	4.5
171.11626	2.1
179.08571	2.6
180.09363	3.0
181.10147	5.7
183.11670	2.6
185.09631	3.9
189.08968	2.1
193.10156	3.4
195.11714	4.8
197.13171	2.2
198.18524	13.9
201.12764	2.5
205.08508	4.4
205.10216	2.9
207.11691	4.7
209.13283	3.6
211.11076	3.8
217.10168	2.9
221.13278	3.1
222.13918	2.1
223.11307	3.2
223.14827	4.9
227.10742	3.0
230.10899	2.3
231.11644	4.9
233.13242	5.6
235.15063	2.1
237.12682	2.7
247.14934	2.8
249.12834	6.8
251.14322	5.8
251.18085	2.8
261.16446	4.7
263.14423	2.1
265.12146	2.3
277.14526	2.1
279.17468	6.5
291.13754	4.0
303.17514	2.7
309.15149	2.3
311.16379	3.1
321.18567	3.1
331.17215	2.2
339.19632	5.3
344.24454	2.3
361.16492	5.1
387.19547	3.3
405.15652	2.3
405.20547	23.9
407.22287	4.9
421.23807	7.2
423.16571	2.5
423.21558	12.1
426.32034	11.2
435.21658	2.2
444.33160	3.7
447.21964	9.3
451.21121	8.2
465.22720	30.1
466.23276	3.6
467.24216	6.3
469.22446	5.9
473.22754	3.3
481.22311	6.9
483.23996	5.3
493.22061	3.4
497.21259	2.9
507.20215	7.3
511.23264	7.4
525.20679	12.0
529.24359	2.9
543.22021	3.4
606.29016	100.0
607.29333	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78527	1.9
53.03945	9.2
55.01876	13.5
55.05509	29.6
57.03440	22.2
57.07063	5.9
61.02919	8.6
65.03930	4.8
67.05502	59.6
69.03136	2.4
69.03433	27.5
69.07076	23.6
70.50988	3.6
71.01359	3.0
71.04984	5.0
72.98936	1.9
73.02918	30.6
73.06556	2.8
76.01708	2.0
79.05495	81.6
81.03416	7.7
81.07056	68.2
82.07394	2.1
83.04971	8.7
83.08598	11.9
85.02905	82.5
85.06516	2.1
87.04465	5.5
91.03957	2.4
91.05478	55.5
93.07044	100.0
94.07358	2.8
95.04968	8.6
95.08607	53.5
97.02892	46.0
97.06547	5.3
97.10169	7.7
99.04471	4.5
99.08080	2.6
103.03922	3.2
105.04520	3.1
105.07032	42.3
107.08596	51.2
107.09286	4.2
109.02871	8.7
109.06531	4.6
109.10154	22.0
111.08077	3.9
115.03916	28.0
115.05470	3.6
117.07014	26.2
119.08562	22.0
121.06502	2.8
121.10147	48.1
123.08091	3.3
123.11697	4.3
127.03917	23.4
128.06241	2.5
129.06976	11.8
131.08574	25.0
133.04974	38.9
133.10129	63.0
135.08034	3.5
135.11694	46.2
136.12006	2.8
137.05980	2.4
137.09572	2.7
139.11160	3.1
141.06949	2.7
143.08537	10.8
145.04965	36.2
145.10138	14.2
147.11697	18.7
149.09668	3.1
149.13258	33.4
150.07640	4.1
157.10132	7.0
159.11693	44.0
161.09612	3.1
161.13255	7.8
163.06035	18.8
163.11180	3.4
163.14798	10.4
165.09084	3.9
169.10155	2.9
171.11682	14.3
173.13242	24.1
175.14848	8.9
177.12720	2.9
181.12199	4.1
183.11736	2.6
184.07352	2.5
185.13266	8.0
187.14796	2.9
189.12723	2.5
193.15839	3.8
195.13800	5.3
199.14764	10.2
207.13771	4.0
209.09782	2.4
213.16354	4.8
216.42146	2.6
221.15442	4.0
223.06009	4.6
231.17496	2.8
235.16927	5.3
241.07022	6.2
241.19487	14.0
259.08054	7.9
259.20642	19.4
261.78595	2.3
275.20206	2.6
277.21622	92.2
278.21930	7.8
287.19824	3.0
295.10236	3.8
351.45209	2.3
387.08322	2.3
391.19370	2.0
393.04681	2.3
409.26276	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01405	0.3
61.26942	0.3
70.45847	0.5
70.46179	0.7
73.20705	0.3
81.07070	0.7
100.51532	0.3
109.06524	0.6
112.65252	0.3
135.20467	0.3
137.06020	1.2
137.33798	0.4
141.18126	0.3
165.52034	0.3
218.11034	0.3
302.37671	0.3
304.15088	0.4
395.11038	3.2
410.13388	8.9
411.13956	0.7
416.18997	0.4
480.20447	0.4
491.22552	0.3
498.21982	0.5
508.20410	0.4
525.21387	0.4
526.21533	1.3
573.92584	0.4
607.21490	100.0
608.21783	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95233	0.3
69.55643	1.4
70.25757	0.2
77.20222	0.2
81.07079	0.5
98.22679	0.5
109.06545	0.5
137.05945	1.3
139.03880	0.4
177.05275	0.3
192.10594	0.3
219.06392	0.3
231.97945	0.3
235.98726	0.3
343.11539	0.3
395.10901	3.3
410.13336	9.6
411.13940	1.1
607.21472	100.0
608.21790	10.2
608.31647	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.1
55.05513	85.5
57.02659	2.5
63.94300	2.4
67.05493	13.3
71.30450	3.8
72.57851	2.5
77.03834	2.7
79.05492	6.9
81.03409	4.5
81.07063	8.4
83.04979	96.1
85.02894	3.5
91.05483	10.8
93.07032	7.3
95.04984	6.2
99.04449	45.1
105.03393	18.4
105.07026	7.5
107.04969	3.6
107.08630	3.7
109.10133	5.0
117.07017	7.7
119.04945	9.9
119.08581	8.2
121.06500	5.0
121.10149	3.2
127.03906	24.6
132.05711	18.6
137.02422	4.4
141.06990	3.8
143.08577	3.4
145.10126	4.6
147.08057	10.3
149.05933	2.9
160.14970	2.4
165.07039	3.5
166.07678	4.2
169.06552	2.5
175.07565	5.7
178.06340	3.5
179.10707	5.1
180.04132	3.4
183.08080	3.5
185.05978	3.1
194.07262	4.0
194.44485	2.6
195.06520	15.4
195.08014	4.8
195.47604	2.9
197.06046	6.9
199.07631	5.8
205.06419	3.4
207.08275	3.0
207.10144	48.8
208.10664	2.7
209.09714	3.1
211.03990	2.9
211.07603	4.3
212.08270	3.2
213.05467	5.3
215.07175	3.6
221.05977	7.5
222.06775	8.0
223.07521	10.2
225.05376	7.8
225.08972	4.3
226.06226	3.7
227.03362	3.8
227.06976	3.1
232.43561	3.0
235.07581	6.8
236.04680	5.6
236.08453	3.4
237.05472	6.3
237.09093	7.0
238.09682	3.5
239.03494	16.2
239.06935	12.3
240.04059	6.9
240.07816	6.5
241.04893	3.8
241.08664	3.7
242.05518	4.0
243.06474	7.5
248.08195	3.0
249.05434	3.7
249.09045	4.6
250.06255	9.4
251.07057	27.0
251.09555	3.2
251.10484	2.2
252.04166	5.9
252.07726	6.7
253.04898	17.1
253.08620	6.4
254.05739	12.5
254.09349	4.6
255.06587	7.3
255.10097	4.5
256.07150	3.9
257.08072	5.8
259.06158	3.4
264.07898	5.3
265.05154	2.7
265.08636	16.8
266.05838	5.4
266.09344	7.7
267.03101	2.7
267.06512	14.1
267.09958	4.2
268.07251	19.8
269.04538	7.7
269.08139	6.0
269.11749	5.7
270.05304	4.4
277.05023	3.2
278.05844	2.9
279.06540	24.4
279.09555	4.7
280.07257	8.9
281.04471	11.7
281.08093	12.3
282.05270	16.5
282.08768	8.5
283.05966	13.3
283.09647	20.6
284.06674	5.6
285.07516	24.6
292.07260	4.1
293.08145	16.2
294.08835	9.9
295.05963	11.0
295.09583	7.4
296.06750	25.1
297.04089	3.7
297.07571	7.9
297.11249	14.5
298.08200	4.1
299.05453	12.4
299.09085	8.7
300.06180	3.1
301.07086	9.5
301.10422	3.6
307.09607	3.7
309.07645	8.8
309.11234	9.5
310.08411	14.6
311.09125	100.0
311.12570	3.9
312.09772	11.3
313.07077	23.0
313.10666	7.6
314.07993	19.3
315.08493	7.3
315.12128	5.9
321.07748	6.6
323.09180	5.3
325.07147	5.7
325.10693	44.0
327.08536	7.0
327.12082	4.8
328.09399	22.9
329.09964	5.4
336.09830	4.5
337.07025	4.8
337.10727	11.5
339.12387	5.3
341.10184	87.0
341.14127	5.7
342.10742	8.2
343.11758	74.1
344.12045	4.4
345.09708	20.5
352.09509	4.7
353.10080	9.1
354.10919	10.7
355.11716	14.7
357.13559	16.9
367.11682	36.1
385.12762	33.7
386.13010	3.4
398.13831	3.5
443.16833	5.2
607.29858	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32894	0.3
69.34300	2.4
74.18913	0.3
78.03906	0.3
95.08640	0.4
98.23375	0.5
207.09258	0.4
249.10385	0.5
250.14325	0.4
310.13309	0.3
342.03107	0.4
373.14529	0.4
375.16040	1.0
376.17618	0.5
387.16403	0.5
388.16849	1.5
389.17691	3.4
390.18365	1.6
391.19202	1.4
399.15411	0.4
401.18219	0.5
402.13971	0.6
402.18616	1.4
403.19516	5.4
404.20230	2.0
405.20834	4.0
406.21365	0.7
415.19720	0.6
416.15475	1.7
417.16278	5.6
417.21362	2.0
418.17645	1.3
418.21710	1.3
419.17380	0.4
419.22388	7.0
420.22998	1.3
429.16479	0.6
430.17798	1.1
431.18216	8.6
432.18979	4.1
433.20056	6.5
435.21933	0.4
441.17526	0.5
443.18655	0.6
444.19037	0.6
445.20135	5.9
446.14883	0.5
446.20999	9.9
447.21628	10.9
448.23199	1.5
459.17502	0.9
459.22025	1.7
460.18445	1.1
460.23160	0.5
461.19138	2.0
462.25037	0.4
463.20544	0.4
463.25888	0.6
473.19351	0.9
473.24243	0.6
474.20264	5.6
475.21100	6.8
476.21683	1.0
477.22815	0.9
478.23627	0.9
487.21393	1.9
487.28497	1.3
489.22705	0.5
490.23572	0.6
491.19958	3.2
501.22916	1.2
504.21408	0.4
505.22241	0.9
506.22794	0.9
518.22229	0.4
519.24066	17.1
520.24292	1.9
529.22498	0.4
532.21082	0.4
533.22046	0.4
547.23425	13.1
548.23560	1.6
549.21326	0.3
561.24579	0.5
579.26007	5.8
580.26288	0.8
607.25458	100.0
608.25769	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01873	1.2
55.05507	4.1
57.07080	1.1
65.03928	0.9
67.05503	10.3
67.29825	0.8
69.03043	1.8
69.03447	5.9
69.07072	6.2
71.08629	1.0
79.05494	9.2
81.03415	1.0
81.07054	11.4
81.88013	0.6
83.04997	1.3
83.08627	1.8
91.05482	16.2
93.07052	8.7
95.01328	1.7
95.04965	2.2
95.08610	8.8
97.06529	2.5
97.10180	1.0
105.07028	17.2
107.04960	2.7
107.08593	5.5
109.06493	0.9
109.10155	2.6
115.05508	1.1
117.07006	4.2
119.08590	10.6
121.10163	2.8
129.07028	1.7
129.60509	0.7
131.08572	5.4
133.10112	9.9
135.08035	0.8
135.11713	1.3
141.06960	1.6
143.08568	2.5
145.10123	5.2
147.11665	4.0
149.09641	0.8
149.13255	1.0
155.08549	1.4
155.48235	0.7
157.10097	1.3
159.11678	3.5
161.13290	1.4
163.11227	0.9
167.08521	1.0
169.10158	2.0
171.11685	1.9
173.13264	1.4
175.11214	0.7
177.12825	0.7
179.14346	2.2
183.11703	1.1
185.13275	1.2
187.14749	0.8
195.11740	1.3
219.17430	1.0
234.84081	0.7
241.19397	1.6
257.19162	1.4
259.20599	2.5
275.20120	10.1
293.21140	1.3
315.23221	2.7
349.23773	1.6
387.16357	1.0
388.17026	2.2
389.17664	4.8
390.18530	1.8
391.19189	1.5
401.17746	0.8
402.13922	0.9
402.18454	2.3
403.19275	7.8
404.19888	4.0
405.20847	3.1
415.15167	1.4
416.15933	1.7
417.16003	3.8
417.20914	3.4
418.17252	1.4
418.21997	0.9
419.17917	0.8
419.22379	8.3
420.22858	1.2
430.17844	1.3
431.18188	9.8
432.18988	3.8
433.20267	3.1
434.20572	1.1
443.18430	1.1
445.15775	0.7
445.20264	7.8
446.20923	9.6
447.21613	13.5
448.22372	1.6
459.18018	2.3
459.22998	1.3
460.18552	1.6
461.19635	1.5
463.25372	1.7
473.19119	1.4
474.20395	14.6
475.21094	15.1
476.21948	2.4
487.21552	2.9
488.22397	1.0
490.23715	2.6
491.14136	0.8
491.19904	1.3
491.24905	0.9
501.22980	1.4
505.22354	1.0
519.24060	17.8
520.24689	1.5
529.22211	1.2
532.21375	1.0
547.23358	80.1
548.23596	10.1
561.24963	1.7
579.25867	6.3
589.25067	1.2
607.25452	100.0
607.42242	13.4
608.25745	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74948	0.4
54.66269	0.3
69.63033	0.9
69.63441	1.2
76.98405	0.4
97.42121	0.4
97.82326	0.4
98.22715	0.6
109.03036	0.4
116.79126	0.4
141.24527	0.4
142.67734	0.3
204.89636	0.4
221.27026	0.4
223.12270	0.4
230.67471	0.4
242.49692	0.4
342.06497	0.4
375.16699	0.5
387.15912	0.6
388.17020	0.5
389.17444	1.8
390.18716	1.1
401.17758	1.4
402.18607	1.2
403.19202	4.6
404.19965	1.4
405.20877	2.3
415.19308	1.3
416.20398	2.2
417.21262	6.7
418.21942	3.5
419.22397	4.7
430.17868	1.6
431.18069	10.7
432.18558	3.0
432.24432	0.5
433.24060	12.6
434.24792	2.0
444.18753	0.9
445.19733	12.4
446.20578	6.3
447.21622	5.3
448.21381	0.5
457.20422	0.5
458.20892	0.6
459.21411	6.2
460.22534	15.6
461.23267	15.4
462.23868	1.7
473.23404	3.6
474.24060	1.8
477.22742	0.9
487.24973	1.6
488.25656	0.8
489.22595	0.6
491.24725	0.5
492.25433	0.7
504.25256	0.4
505.21970	3.3
515.24646	0.7
519.24677	1.2
519.27533	1.5
532.24500	1.1
547.27032	44.1
548.27393	6.5
575.26062	0.8
579.29858	1.0
607.29132	100.0
608.29449	15.0
608.39172	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2908
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
51.28618	0.2
55.18508	0.2
64.42371	0.2
69.01419	1.5
69.01844	0.9
98.23148	1.1
113.90485	0.2
117.49667	0.2
124.06018	0.2
242.49741	0.2
332.38245	0.2
387.15515	0.3
389.17551	0.5
401.17426	0.3
402.18143	0.5
403.19131	2.0
404.19843	1.0
405.20676	1.0
416.19904	0.7
417.16849	0.7
417.21500	2.6
418.21591	1.3
419.22415	2.2
420.22711	0.4
430.17218	0.4
430.22305	0.3
431.18207	6.3
432.18597	1.9
433.24023	8.1
434.24399	1.8
445.19745	6.4
446.20642	4.5
447.21643	5.1
449.23026	0.5
459.21481	4.5
460.22491	17.2
461.23309	18.9
462.23761	2.0
463.20911	0.3
473.23706	3.7
474.24081	2.5
475.24945	0.3
477.22778	0.8
487.25189	2.2
488.25476	0.7
489.22821	0.4
491.19852	0.4
491.24814	0.8
492.25336	1.4
493.25589	0.3
503.28613	0.3
504.25290	0.4
505.21674	4.5
506.27307	0.5
515.24341	0.6
518.23444	0.4
519.24316	2.2
519.27295	2.1
520.27557	0.3
532.24847	1.1
533.25745	1.1
546.22919	0.3
547.27026	39.4
548.19330	0.4
548.27362	5.6
549.24915	0.3
575.26550	1.1
577.24060	0.5
578.24951	0.7
579.29572	1.0
607.29120	100.0
608.29425	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12217	0.8
54.67198	0.7
55.05514	1.1
57.07060	0.9
67.05496	1.7
68.69579	0.8
70.62981	0.8
71.33019	0.8
71.43459	0.9
79.05473	0.9
81.07048	1.9
91.05466	1.3
93.07044	1.0
95.08640	2.0
98.22749	5.2
98.23450	2.1
105.07036	1.4
106.72344	0.9
107.08591	1.7
154.54727	0.8
189.05334	1.3
205.08583	0.9
211.07610	1.5
225.09105	1.2
228.07797	0.9
229.31050	1.3
237.09282	1.1
239.07050	1.6
248.08363	1.2
253.08746	1.7
256.07224	1.4
257.08221	1.1
263.10660	1.2
265.08664	2.1
267.06738	1.7
267.10376	1.0
279.10376	1.1
280.11121	1.5
281.08380	2.0
281.11841	3.0
283.09952	1.0
284.06912	1.3
285.07745	3.1
285.11240	1.1
289.07156	1.2
293.08240	1.4
295.10022	1.1
295.13501	3.3
297.11249	2.2
299.09137	2.3
303.08807	2.9
304.09601	2.6
308.10733	1.4
309.11246	2.7
311.09277	1.4
313.10779	3.4
314.11768	1.1
316.09613	1.1
318.11258	2.4
323.12894	3.9
324.13531	1.6
325.07126	1.4
325.14398	1.7
327.15784	1.3
331.11603	1.0
340.13354	1.4
341.13803	4.1
345.13440	1.1
351.12177	1.7
355.15390	4.6
356.16220	7.5
363.12036	5.2
378.14441	3.9
379.11700	2.1
387.18039	3.6
394.14056	3.7
409.16159	19.9
410.16864	1.7
445.20306	1.0
607.32458	100.0
608.33258	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03700	0.3
55.05511	0.5
57.07076	0.3
60.28599	0.4
60.40284	0.4
67.05504	0.4
68.27734	0.4
69.07105	0.4
69.51578	1.0
69.51994	1.0
81.07046	0.9
93.07053	0.6
95.08617	0.8
105.07024	0.8
107.08591	0.6
109.10146	0.4
119.08599	0.6
121.06513	0.4
139.07593	0.6
141.24071	0.4
145.10127	0.4
147.11729	0.5
153.06961	0.4
159.08058	0.6
165.07021	1.0
167.07091	1.5
171.08171	0.4
177.05545	0.4
179.08562	0.7
181.06464	0.5
182.07304	0.6
183.08061	0.9
185.06116	0.5
193.06502	0.5
195.08069	0.6
197.06041	0.5
197.09671	0.6
199.07402	0.5
201.09055	0.6
202.10030	0.6
207.08162	0.6
209.09721	0.7
210.06813	2.0
211.07439	2.9
212.08374	0.5
213.05554	0.6
219.08096	0.6
220.08786	0.7
221.09671	0.7
224.08440	0.8
225.05438	0.8
225.09045	1.9
226.06299	0.6
226.09937	0.6
227.07063	1.7
232.09027	0.5
233.09616	0.8
234.10582	0.4
235.11223	1.4
237.09160	1.5
238.06400	0.7
238.09952	0.4
239.07062	1.7
239.10696	0.5
240.07903	1.0
241.05008	1.4
241.08804	0.8
242.05763	0.9
243.06618	1.7
243.09966	0.4
247.07552	0.7
248.08438	1.2
249.09059	2.0
250.06406	0.4
250.09866	0.5
251.07066	1.1
251.10716	1.1
252.07860	0.7
252.11542	1.2
253.08620	1.9
253.12236	0.5
254.09406	0.6
255.06607	1.5
255.10008	0.6
256.07333	2.3
257.04544	0.5
257.08078	1.1
258.08939	0.5
259.06064	0.7
261.09229	0.6
262.10001	0.9
263.10669	3.8
264.08432	0.3
264.11423	1.5
265.08667	3.4
265.11563	0.5
266.05518	0.4
266.09296	1.1
267.06570	1.5
267.13824	0.8
268.07251	0.5
269.04471	0.6
269.08020	1.1
269.11658	0.3
270.05579	0.7
270.08896	1.9
271.06317	0.6
271.09662	1.8
272.06812	0.7
276.07816	0.5
277.08621	2.9
278.09253	0.8
279.10196	1.7
280.10980	4.4
281.08066	1.3
281.11734	2.3
282.09073	1.0
283.06198	0.9
283.09662	0.9
284.06876	2.1
284.09988	0.4
285.07739	1.1
285.11316	1.5
287.05872	0.7
287.09213	1.6
288.06387	0.8
289.07193	0.4
291.10168	1.7
292.11005	1.2
293.08130	2.1
293.11792	1.5
294.08893	1.3
294.12268	0.7
295.09888	1.0
295.13248	6.2
296.13873	1.0
297.07724	0.8
297.11282	1.9
298.08441	1.1
299.09164	4.7
299.12372	0.6
300.09955	1.3
301.07126	0.9
302.07974	1.1
303.08521	1.8
304.09332	1.0
307.09698	0.8
308.10461	1.8
309.11169	4.1
310.11780	0.7
311.09048	0.6
312.10028	0.5
313.10797	3.2
314.11252	0.8
315.08673	0.5
316.09509	0.8
317.10303	2.3
318.11008	4.5
323.12753	7.1
324.13538	3.4
325.06900	9.2
325.10718	2.1
325.14355	1.1
326.07236	0.6
326.11353	0.8
327.12415	0.7
327.15955	1.4
330.11084	0.8
331.11749	1.1
332.12268	0.5
337.06888	0.6
338.15076	1.0
340.09253	4.0
340.13104	1.7
341.13879	1.9
343.11835	0.6
345.13373	1.8
355.15411	10.4
356.16159	4.3
357.13376	1.1
358.14175	0.8
363.12030	9.3
364.12195	0.7
367.11032	0.4
372.15811	1.1
377.13602	0.8
378.14337	3.7
379.11124	0.8
379.15543	0.6
387.18021	6.7
388.18204	0.8
394.14102	1.1
409.16220	26.0
410.16498	2.9
412.68658	0.4
450.19162	0.6
500.12180	0.4
555.81628	0.4
607.32397	100.0
608.32794	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.7
57.07074	1.9
65.54026	1.3
67.05520	3.5
69.07072	2.4
79.05510	2.5
81.07074	5.1
83.08657	1.3
91.05506	4.9
93.07080	3.8
95.05024	1.3
95.08645	3.9
98.22992	7.4
105.07095	3.5
107.08614	2.6
109.10212	1.9
114.07334	1.2
119.08593	1.8
121.10175	2.2
133.10188	1.4
145.10197	2.3
176.08522	1.4
183.08167	1.5
210.06937	1.4
212.08482	1.4
223.07677	1.6
225.09175	1.8
227.07181	1.5
229.05060	1.5
235.11177	1.4
237.09285	1.9
239.07086	1.8
241.04944	1.3
242.09326	2.5
243.06720	3.4
251.10945	1.8
252.07993	1.6
253.08647	2.7
254.09122	1.3
255.06575	1.4
256.07306	2.1
257.08279	1.8
263.10699	3.2
265.08768	5.1
267.06683	2.8
267.10236	2.5
267.13782	1.4
270.08908	2.3
271.09750	2.7
275.09402	1.4
279.10291	2.0
280.11084	4.2
281.08279	4.9
281.11499	2.9
285.07770	3.6
285.11334	3.3
287.09222	1.7
289.07327	1.9
293.08194	2.9
293.11688	1.9
295.13260	7.0
297.11395	2.0
299.09384	3.5
303.08804	3.9
304.09494	3.9
308.10529	1.6
309.11426	3.0
312.13803	2.4
313.10690	7.2
316.09543	1.7
318.11081	4.0
323.12912	6.5
324.13712	3.1
327.15997	2.5
331.12042	2.7
341.14038	3.7
345.13480	2.6
355.15408	10.4
356.16080	7.2
357.16119	2.0
363.12170	3.1
377.13727	1.8
378.14771	1.9
387.18021	7.1
409.16220	19.2
410.16437	1.5
431.18753	2.3
433.24005	1.7
445.20386	2.6
447.21802	1.8
460.22601	1.7
461.23499	2.3
547.27167	4.6
607.32495	100.0
608.32800	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	18.2
57.07081	10.5
60.86759	3.1
62.75627	3.0
67.05511	23.6
69.07078	24.7
71.31508	5.7
73.19734	3.8
79.05497	32.1
81.07062	56.1
83.04965	4.3
83.08612	8.3
91.05482	27.6
93.07042	52.3
95.04984	4.9
95.08615	46.9
97.10178	4.9
99.08112	6.4
99.67514	3.4
105.07041	43.7
107.08595	61.1
109.06522	6.4
109.10155	44.3
117.07040	15.8
119.08595	36.9
121.10148	66.5
123.08097	20.8
123.11750	11.3
130.07796	4.8
131.08554	29.2
133.10106	22.4
135.11726	24.6
137.05986	4.5
137.09607	21.9
142.70563	4.4
143.08582	4.9
145.10144	63.8
147.11749	14.6
149.13271	72.7
157.10114	6.1
159.11681	58.2
161.13226	20.8
163.11224	7.1
167.07079	10.4
171.11676	8.6
173.13266	9.8
175.14854	6.1
177.12787	9.8
177.16371	6.1
181.64664	3.5
186.13910	5.0
191.17993	15.1
199.07494	3.8
201.16403	100.0
202.16698	5.0
203.18010	10.9
219.17441	92.0
219.20715	4.8
220.17801	4.2
227.06943	6.5
271.09723	5.3
281.08160	3.6
287.09036	4.4
323.12704	6.4
340.12820	4.4
355.15494	15.1
356.16144	8.0
357.16486	4.3
358.16730	5.6
379.15543	7.7
387.18320	21.2
388.18423	4.4
389.19666	23.1
390.19467	6.5
399.18100	4.9
401.19724	5.4
425.19550	8.5
441.22861	9.4
547.25732	5.0
589.35260	33.0
605.26508	4.5
607.29132	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.05513	65.2
56.05855	0.8
65.02261	0.6
67.05495	2.2
69.07058	1.2
69.27901	1.9
69.28320	3.1
70.79946	0.7
79.05504	1.8
81.07072	2.1
83.04983	100.0
84.05316	2.8
91.05483	2.0
93.07038	2.1
95.04952	1.5
95.08616	1.7
105.03400	12.5
105.04471	1.0
105.07024	1.3
109.10172	0.7
119.08582	1.1
133.10168	0.9
138.38107	0.7
138.39259	0.7
143.08586	0.8
149.13275	0.8
153.06929	0.9
165.07010	0.8
167.08553	3.6
179.08611	0.9
181.06456	1.4
195.08041	5.2
199.03874	1.6
208.05161	0.9
209.06006	1.9
210.06761	1.6
211.03908	0.8
213.05531	1.2
223.07568	4.5
223.49205	0.8
223.85037	0.8
224.08217	1.0
225.05620	0.8
225.09091	21.2
226.09572	1.2
227.03432	1.4
227.07050	2.3
229.05025	2.2
235.07521	1.1
237.05536	2.5
237.09245	1.1
238.06285	1.5
239.03542	1.7
239.06976	4.3
240.07820	1.4
241.05072	1.3
241.08693	1.3
249.05528	1.1
251.06883	3.4
252.04004	1.0
252.94844	0.9
253.04878	5.7
253.08609	12.2
254.09390	1.6
255.02864	5.9
255.10252	1.5
263.07086	1.3
264.07764	0.9
265.05038	1.2
265.08841	1.5
266.05710	5.3
267.06531	14.9
269.07999	0.9
270.05557	0.9
281.08063	16.7
282.08694	2.2
283.02292	1.5
283.09723	0.8
285.04111	0.7
291.06473	3.9
293.08249	2.3
294.05179	1.2
295.06091	3.8
295.09521	1.6
297.03931	53.7
298.04550	8.8
299.08878	0.8
309.04288	0.6
309.07568	16.2
310.04755	1.0
310.07965	1.5
311.08975	1.2
313.03470	3.1
313.07117	3.2
313.10767	19.8
313.14154	1.4
314.11066	1.2
319.06223	1.7
323.09048	1.4
325.07172	1.5
326.07962	1.6
327.08646	11.8
337.07004	12.0
338.07306	1.2
341.10153	1.2
345.09592	0.9
351.08575	5.3
369.09720	14.6
370.10162	1.6
387.10699	1.0
397.09161	7.2
398.09351	1.0
451.13852	1.9
549.08276	0.7
607.44165	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
55.05514	60.2
56.05850	1.3
57.07082	0.6
67.05508	1.9
69.07074	1.3
79.05502	1.4
81.07068	1.6
82.42320	0.5
83.04984	100.0
83.08614	0.7
84.03932	0.5
84.05315	1.7
91.05472	1.5
93.07040	1.7
95.04959	0.9
95.08607	1.1
105.03396	3.8
105.07026	1.5
107.08590	1.6
109.10146	1.0
117.07027	0.5
119.08545	1.2
121.10080	0.6
125.75377	0.5
129.06985	0.6
131.08549	1.2
133.10121	0.5
145.10117	1.0
147.11642	0.9
153.06862	0.4
155.08612	0.8
156.45753	0.5
157.10150	0.7
159.11708	0.8
167.07036	0.6
167.08530	0.8
181.06451	1.3
183.11760	0.6
195.08028	1.3
199.03886	0.6
203.07063	2.5
203.17874	0.7
207.08063	0.5
209.06026	0.8
213.05321	0.6
215.07024	5.9
216.07248	0.5
217.15883	0.6
223.07545	0.9
225.05363	0.5
225.09114	1.7
227.03363	0.7
227.06870	0.6
229.04897	0.7
237.05424	0.7
238.06146	0.9
239.03383	0.9
239.06993	2.3
239.18007	0.6
241.04884	0.5
251.07004	1.2
252.04111	0.9
253.04967	5.2
253.08492	1.7
255.02753	1.5
263.07034	0.7
265.08411	0.6
266.05725	3.0
267.06525	6.9
277.04984	0.6
278.31390	0.5
281.04941	0.5
281.08060	8.6
282.08630	1.6
285.07581	0.6
291.06442	1.3
293.07983	0.8
295.05890	1.5
297.03983	15.4
298.04590	2.2
309.07565	13.4
310.08063	0.7
311.05298	0.8
311.08685	0.6
313.03180	1.3
313.06854	2.1
313.10501	1.8
323.08978	0.7
325.06870	0.8
327.05304	0.5
327.08676	6.0
337.07025	4.6
339.08093	0.7
341.10040	2.1
351.08618	3.1
355.07938	0.8
369.09662	11.6
370.09933	0.8
387.10547	0.7
397.08755	1.6
405.20837	0.6
420.22885	0.6
431.18600	0.8
433.19763	1.3
434.20767	0.6
445.20215	1.2
446.21173	0.9
447.20984	1.5
448.21973	0.6
458.20358	0.9
459.21533	0.8
475.20477	1.0
476.21527	1.2
477.22287	0.5
519.23187	2.0
520.23712	0.8
548.23584	0.7
549.24780	1.2
591.25366	1.8
608.25879	7.7
608.40735	0.7
609.27032	20.9
609.42920	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
60.06332	2.8
67.05496	6.4
68.16016	3.1
69.03433	10.2
69.35465	8.3
69.35884	16.0
71.55800	3.4
79.05485	15.4
81.07058	70.7
91.05478	9.9
95.08624	7.0
97.06460	5.1
98.23368	4.0
100.11274	4.2
105.07031	6.8
107.04936	4.4
107.08598	6.4
109.06519	25.9
111.04443	5.2
117.07022	6.6
119.08555	5.8
121.06503	7.3
123.08092	7.4
123.77932	3.8
128.06247	3.8
129.07011	9.8
131.08614	7.9
133.06520	3.7
137.05978	100.0
139.03949	3.9
139.07503	4.8
143.08549	3.4
147.08061	9.2
155.08606	13.8
159.08041	6.4
167.08641	3.5
169.10086	4.8
171.08067	5.0
172.34563	3.2
175.07570	12.8
178.07773	4.6
181.10014	4.4
182.15378	4.5
184.07213	4.3
187.34889	3.5
195.11621	5.0
205.10211	3.8
209.09721	4.9
211.11006	3.6
217.10104	3.6
220.08878	3.9
221.09598	4.9
223.11249	3.2
231.11568	3.4
233.09621	3.4
235.11159	9.4
236.11847	4.4
237.02957	3.2
237.12791	4.9
239.10623	4.7
247.11198	10.7
249.09198	3.3
253.12189	4.0
263.10773	6.7
265.12296	6.2
281.11838	3.6
295.13220	3.4
341.14044	4.2
357.13364	11.3
367.15479	7.0
370.03036	3.5
385.16385	10.0
393.20270	3.5
400.75735	3.4
401.17398	8.2
402.18036	4.0
419.18445	27.6
420.18759	4.0
431.18240	5.3
433.19858	6.4
437.19681	14.8
449.19522	19.6
459.18213	5.9
467.20468	7.4
477.19009	11.4
479.20349	5.5
495.19873	17.4
513.20374	3.9
573.18915	3.8
587.92828	4.4
608.21783	5.8
609.23065	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.8
57.03444	2.7
57.64485	1.4
61.02925	2.2
67.05504	6.4
69.03432	5.7
69.04564	5.9
69.04986	7.3
69.07050	1.6
73.02910	1.9
79.05505	4.8
81.03411	2.7
81.07046	11.2
83.08640	2.1
85.02905	27.7
85.57767	1.3
87.05679	1.4
91.05467	5.7
93.07026	11.4
95.04999	1.8
95.08595	6.6
97.02889	6.2
97.10123	1.7
105.07024	27.2
107.08589	9.3
109.02882	3.3
109.06500	5.4
109.10171	2.1
117.07066	1.8
119.08578	21.9
121.06501	3.8
121.10156	5.3
125.06032	2.5
127.03926	7.8
131.08577	3.2
133.10114	9.3
135.11710	4.6
137.05960	2.0
139.07507	2.5
143.08559	3.8
145.04994	8.6
145.10132	12.3
147.08008	1.8
147.11679	100.0
148.12050	4.3
149.09668	1.4
157.10121	3.5
159.11693	3.3
161.09566	4.4
161.13231	2.2
162.07510	1.6
163.06058	2.4
165.09135	2.5
175.07570	1.8
175.11200	6.9
175.14815	42.6
179.51112	1.4
179.95744	1.7
180.08752	2.4
185.13264	3.8
185.62889	1.4
191.10762	2.0
193.12279	5.7
203.14273	22.2
213.12816	2.3
217.40955	1.4
221.15363	18.4
231.13759	9.9
249.14848	83.0
250.15262	5.7
267.15894	89.7
268.16144	7.2
297.34683	1.4
411.20020	7.8
433.41635	1.7
453.89670	1.6
608.19989	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01874	2.0
55.05513	8.8
55.05724	1.4
60.05639	2.1
67.05506	2.9
69.03437	3.3
69.52252	6.4
69.52660	3.7
79.05494	6.2
81.03402	1.6
81.07063	10.8
83.04985	42.8
91.05473	15.3
93.07031	6.4
95.04962	7.1
95.08604	4.2
97.02911	6.1
97.06516	1.4
98.22681	2.8
99.04472	2.5
105.07012	12.1
105.70364	1.5
107.04935	2.9
107.08588	10.7
109.06535	12.8
111.04465	3.4
111.08073	3.7
112.27531	1.6
115.05434	4.0
117.07042	14.9
119.08561	10.2
121.06547	1.9
121.10175	4.0
123.08063	3.1
129.07013	5.6
131.08582	10.8
133.10107	4.3
135.08073	10.2
137.05959	12.1
139.07469	2.0
141.06934	2.2
142.07758	2.3
143.08531	12.5
145.06496	24.6
145.10118	6.1
147.08011	16.8
149.09598	3.9
151.07533	2.8
154.07799	1.5
155.07275	1.9
155.08521	9.9
157.06558	1.7
157.10121	10.5
159.08031	4.2
159.11696	3.5
161.09671	3.7
163.07539	10.8
165.07014	2.5
165.09111	1.9
167.07121	2.0
167.08562	5.2
169.10066	7.5
171.08058	4.1
171.11630	4.8
173.05974	3.7
173.09612	6.3
173.13229	2.6
175.07559	1.7
179.08546	2.8
181.08633	1.9
181.10127	5.1
183.11664	7.4
185.09587	5.0
185.13347	3.5
187.11212	7.1
189.09117	2.7
191.07037	4.1
193.10211	3.5
194.10840	4.3
195.11649	5.4
197.09579	3.8
197.13234	4.6
199.11111	5.7
199.14841	4.7
201.09158	1.8
201.12869	3.6
203.10649	1.9
207.11691	6.7
209.09769	2.5
209.13245	15.7
211.11104	2.5
213.12781	2.3
215.14374	2.3
219.11607	2.2
221.13351	2.3
223.11194	2.1
223.14743	3.8
225.12743	3.0
227.10828	2.4
227.14290	22.3
228.14514	2.3
229.12234	3.7
233.13260	2.1
234.10318	2.1
235.14879	1.6
239.10663	2.1
241.15874	2.8
251.14371	2.4
269.15329	11.6
287.16367	5.6
295.16904	1.7
299.20126	1.7
309.18500	9.2
325.21545	2.3
327.32056	1.7
351.19449	3.1
369.20639	4.5
387.21713	3.9
435.21710	5.8
447.23743	63.3
448.24173	4.2
451.24966	2.2
453.22726	23.9
454.22644	1.7
469.25723	2.0
471.23810	2.2
477.22876	3.1
495.24133	9.5
511.26758	5.0
513.25000	15.5
537.24731	7.7
555.26056	8.1
573.26941	100.0
574.27020	10.0
608.30493	2.4
609.24072	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.2
55.05500	7.8
56.44591	1.9
67.05226	2.0
67.05514	21.7
69.03430	9.6
69.07062	6.1
69.12448	15.4
71.05002	2.0
79.05495	18.6
81.03423	12.3
81.07056	40.6
83.04980	5.9
83.08604	5.1
85.02914	7.4
85.06528	3.7
88.18040	1.8
91.05473	19.9
93.07036	21.9
95.04979	11.0
95.08602	19.0
96.63125	1.7
97.02884	7.6
97.06526	5.2
97.10134	2.8
99.04449	7.7
105.07008	17.7
107.04943	3.2
107.08598	19.3
109.02854	3.2
109.06527	23.1
109.10168	13.8
111.04436	3.3
111.08091	6.7
115.05517	3.3
117.06998	9.1
117.07721	1.9
119.04941	2.4
119.08551	16.0
121.06508	4.2
121.10131	10.8
123.08061	8.6
123.11682	3.1
127.03895	5.4
128.06235	4.0
129.07018	7.9
131.08560	16.4
133.04927	3.2
133.06525	3.9
133.10121	12.6
135.08047	6.4
135.11699	8.0
137.05969	49.4
137.09534	3.5
139.07585	2.3
141.06982	6.0
142.07764	2.7
143.08577	14.7
145.06487	4.5
145.10107	18.0
147.07977	10.2
147.11661	6.6
149.09598	7.7
154.07710	2.6
155.08522	4.6
157.06497	3.0
157.10146	12.0
159.08041	8.2
159.11650	10.1
161.09619	9.2
163.07562	2.9
163.11163	4.2
165.06958	3.1
167.08522	5.1
169.06444	2.7
169.10153	8.4
171.08060	4.8
171.11691	7.7
173.09608	7.9
173.13245	2.9
175.11195	7.6
179.08522	5.8
180.09335	4.1
181.10114	10.1
182.10820	2.2
183.08116	3.3
183.11711	11.1
185.09645	12.0
185.13293	3.4
187.11217	10.5
189.09088	2.5
189.12703	2.3
191.08505	1.9
192.09357	2.5
193.10121	9.9
193.12192	4.5
194.10826	3.0
195.08075	4.3
195.11670	9.6
197.09581	5.6
197.13213	6.5
199.11182	5.2
199.14728	2.6
201.09117	3.0
201.12755	4.1
203.08549	3.1
203.10594	3.9
204.09328	2.4
205.10101	5.0
207.10022	2.4
207.11720	7.6
208.12334	3.1
209.09682	4.9
209.13245	8.8
210.13986	3.3
211.11099	5.4
211.13252	5.3
211.14937	3.4
213.09076	2.4
213.12775	5.1
215.10597	2.3
217.10165	2.7
218.10826	3.2
219.11697	5.4
220.12444	2.9
221.13275	6.8
223.11169	7.3
223.14801	4.6
225.12814	4.8
225.16383	2.4
227.14380	2.7
229.10167	2.8
231.11682	4.9
233.11606	5.8
235.11137	6.7
235.14839	12.4
237.12682	5.6
237.16306	6.9
239.14249	3.2
243.11665	2.6
245.13284	8.2
246.13901	2.9
247.14812	6.4
249.12811	4.1
249.16486	3.0
251.14366	6.2
253.15884	11.0
261.12766	2.8
263.14279	15.1
263.17896	3.2
264.14948	4.8
265.12207	2.4
265.15863	12.8
265.19446	5.5
266.16473	3.7
275.14398	4.8
275.17902	4.2
277.15845	7.4
277.19421	2.0
279.17358	2.8
279.23196	6.9
281.15317	8.0
289.16092	2.5
293.15372	5.0
293.18970	16.0
294.19559	2.7
295.16782	2.8
303.13574	2.5
311.16489	3.6
311.20029	7.5
317.19147	2.4
321.14990	3.4
321.18408	7.5
323.16510	2.7
323.20169	4.4
335.19992	2.8
339.15845	5.2
339.19580	13.1
351.19537	3.4
353.21133	2.3
361.18002	3.3
369.20627	5.8
387.21518	4.7
391.22748	6.3
397.19958	6.5
409.23849	9.4
410.24503	4.2
415.21185	13.5
419.22168	37.5
420.22571	4.0
421.23752	4.8
423.25385	3.8
431.22174	4.9
433.23645	7.9
437.23233	100.0
438.23706	13.5
439.24802	4.9
447.27386	7.2
449.23474	12.7
451.24722	8.0
455.24280	2.9
459.21545	3.6
465.27628	3.8
467.24454	33.4
468.24585	2.8
477.22891	13.0
479.24466	2.8
481.26291	2.2
485.24823	3.7
495.23624	23.9
497.25305	88.9
498.25742	10.8
499.26910	3.7
509.25125	2.3
511.26529	3.2
513.24866	32.5
514.24951	5.2
527.26630	25.9
528.26697	2.8
537.04089	2.3
537.24835	4.8
555.25848	2.1
608.34711	2.6
608.43451	3.4
609.22656	4.2
609.32391	10.3
635.15259	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.9
67.05501	2.7
67.61693	0.5
69.03431	2.6
69.07066	1.2
69.38939	4.0
71.04993	1.3
79.05497	2.3
80.41751	0.7
81.03446	0.7
81.07050	3.8
83.05000	2.3
85.02917	2.6
85.06544	0.9
91.05472	5.9
93.07056	6.3
95.04962	2.1
95.08591	3.8
97.02900	3.2
97.06542	2.6
98.23363	0.7
99.04427	1.3
101.04102	0.6
103.05460	0.6
105.07034	7.1
107.08595	6.5
109.06517	14.4
109.10157	2.3
110.06800	0.8
111.04462	1.0
111.08084	1.5
115.05444	1.0
115.68307	0.6
117.07034	3.3
119.04985	1.0
119.08573	7.4
121.06514	2.9
121.10167	2.9
123.08022	4.2
124.08366	0.8
125.05987	1.7
125.09652	0.9
128.06219	2.4
129.06982	3.0
130.07791	1.0
131.08582	5.7
133.06496	1.6
133.10141	5.5
135.08032	3.9
135.11694	1.0
137.05998	1.6
137.09569	1.2
139.07547	0.7
141.06989	4.4
142.07817	1.3
143.08578	10.2
145.06480	3.3
145.10103	7.5
146.10385	0.8
147.08049	3.3
147.11719	1.9
149.09656	1.7
151.07568	1.1
153.05481	0.7
153.07040	0.7
154.07770	1.0
155.07404	0.8
155.08560	5.5
156.09383	0.8
157.06554	1.3
157.10136	7.5
159.08046	4.5
159.11702	4.1
161.09605	4.6
163.07529	4.0
163.11194	1.0
165.07016	1.8
165.94073	0.6
166.07852	0.9
167.08569	3.9
168.09355	1.3
169.10123	6.5
170.10938	0.9
171.08003	3.5
171.11681	4.8
173.09633	3.0
173.13271	1.9
175.07533	0.7
175.11250	3.3
177.09062	0.9
179.07140	0.6
179.08516	3.4
180.09357	1.4
181.10101	5.5
182.10841	0.8
183.08061	1.5
183.11711	4.7
184.28377	0.7
185.09607	3.0
185.13303	1.4
187.11230	2.8
189.09161	1.1
191.08578	0.8
192.09425	1.8
193.10126	6.5
194.10884	1.5
195.08067	1.6
195.11717	6.5
196.12321	0.8
197.09674	2.6
197.13266	4.0
199.11197	2.2
199.14784	1.0
201.12787	0.6
203.10677	1.0
205.10109	3.5
206.10931	1.5
207.11665	4.3
208.12502	1.4
209.08032	1.1
209.09789	1.2
209.13211	4.8
210.10526	0.6
211.11208	2.3
211.14851	2.9
213.09229	1.0
213.12750	1.4
214.01840	0.7
215.08679	1.1
215.10742	0.9
217.10191	1.6
218.10863	1.3
219.11720	3.5
220.12474	2.1
221.09689	1.1
221.13237	5.8
222.13916	0.8
223.09480	1.2
223.11324	1.7
223.14825	2.8
225.12814	3.3
225.16454	2.1
227.10712	0.8
227.14378	1.1
229.10196	0.7
230.10931	2.8
231.11826	1.2
232.12485	1.0
233.13240	2.7
235.11266	1.1
235.14815	8.1
236.15469	1.7
237.12749	2.7
237.16455	4.0
239.10719	0.9
239.14330	1.9
239.17877	0.7
243.11827	1.6
244.12390	1.5
245.13300	6.2
246.13869	1.9
247.14897	2.0
248.12108	1.5
249.10869	3.9
249.13496	0.8
249.16444	2.3
251.10666	0.8
251.14400	1.5
251.18065	0.8
253.15816	3.0
254.16408	0.7
257.13226	0.8
258.14145	1.1
259.14890	1.7
261.16449	1.7
263.14362	9.6
263.17700	1.3
264.15015	1.2
265.12192	0.7
265.16086	3.3
265.19556	2.5
273.16531	0.8
275.14703	1.0
275.18024	1.8
277.15848	1.5
279.17584	1.4
281.15381	2.6
281.18817	1.0
283.20724	0.9
285.16000	0.7
289.15860	1.1
291.17432	1.7
293.18942	4.8
303.17432	1.1
305.15405	3.4
305.18753	1.1
309.18671	0.7
311.20184	0.9
315.16119	1.0
323.16492	2.5
335.20151	1.1
341.17685	1.4
351.19659	0.9
353.21078	1.1
369.20557	1.0
407.22174	8.0
417.20578	2.5
425.23233	6.5
426.23776	0.8
435.21738	16.4
436.22266	1.9
449.23352	1.0
451.24899	6.1
452.25214	1.0
453.22729	34.2
454.23126	2.9
459.21683	1.2
467.24423	2.8
469.25766	2.7
471.23709	6.5
477.22720	8.3
478.23175	0.9
485.25308	2.9
495.23773	22.1
496.24313	2.1
511.27011	9.7
512.27155	0.7
513.24847	100.0
514.25146	12.6
527.26074	1.3
529.27869	8.1
530.28577	1.2
531.25885	16.8
532.26233	1.5
537.24683	3.0
538.25104	0.7
555.25916	14.5
556.26062	1.5
573.27039	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
53.17137	1.1
55.05520	11.8
62.93739	1.5
63.78830	1.4
67.05522	3.1
69.03428	3.8
69.05785	1.8
69.06184	10.5
71.04984	2.4
79.05483	7.9
81.07058	12.1
83.04983	34.5
91.04916	1.2
91.05472	24.0
93.07049	8.6
95.04947	6.7
95.08617	5.0
97.02905	9.9
97.06507	2.2
99.04465	5.8
103.05493	1.8
105.07034	13.5
107.08585	15.8
109.06511	12.3
109.10141	2.4
111.04446	6.1
111.08073	3.0
113.62746	1.6
115.05441	8.0
117.07004	16.5
119.08578	14.8
121.06499	3.7
121.10128	1.6
123.08066	4.2
129.06998	6.4
131.08582	10.1
133.10138	4.0
135.08054	14.7
135.11687	1.9
137.06006	7.0
139.07542	3.6
141.06969	3.1
142.07765	2.6
143.08572	10.9
145.06494	42.8
145.10106	11.6
147.08060	27.3
147.11792	2.1
149.06029	2.2
149.09637	2.3
151.07561	2.4
153.05554	1.5
155.08517	7.1
157.10100	9.8
159.08031	3.7
159.11687	5.7
160.12134	1.3
161.08440	1.6
161.09630	4.2
161.13185	1.8
163.07555	18.9
165.06989	2.0
166.07779	1.8
167.08583	2.9
168.09398	3.2
169.10129	9.5
171.11697	4.5
173.06013	5.8
173.09631	4.6
173.13301	3.6
175.11180	2.8
175.97856	1.2
181.10146	3.5
183.11737	6.7
185.09663	3.4
185.13257	2.5
187.11212	5.5
189.09087	1.8
189.12852	1.8
191.07043	5.9
193.10213	3.1
194.11087	1.9
195.11697	2.7
197.09569	1.6
197.13269	3.8
199.11197	3.1
199.14864	5.7
201.12735	4.0
201.16441	1.8
205.12189	2.5
207.11737	2.7
209.08090	3.5
209.09821	1.7
209.13272	5.2
211.11139	3.2
211.14803	5.2
213.12769	1.7
213.16350	2.1
221.13321	4.0
223.14810	4.0
227.14272	4.9
229.12289	2.6
229.15883	19.0
237.16270	1.7
239.14220	1.7
241.15884	5.2
259.16937	20.8
265.15979	2.2
269.15402	4.9
287.16388	4.6
293.18765	1.7
299.53775	1.7
311.20013	19.8
312.20413	1.7
323.20123	2.0
329.20959	1.6
341.21155	1.9
369.20520	2.7
371.22266	3.0
387.21707	7.8
419.21890	3.2
437.23251	14.9
447.23773	58.1
448.23950	5.5
449.22968	3.8
451.25235	1.9
455.24371	1.8
467.24277	3.5
495.23611	4.6
497.25357	25.6
498.26117	2.2
513.24805	14.4
527.26404	17.1
555.25842	3.8
573.26929	100.0
574.27142	14.6
584.47961	1.9
603.62811	1.8
608.31116	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.05511	3.5
57.07065	4.3
67.05505	14.2
69.07084	6.6
71.08625	2.4
71.30106	1.6
72.62768	1.2
79.05485	7.5
81.07048	9.0
83.08622	1.8
87.20865	1.1
91.05481	9.8
93.07044	7.0
95.08612	11.2
105.07024	12.7
107.08567	6.6
109.10160	6.5
112.56084	1.2
117.07025	10.0
119.08583	8.6
121.10130	4.8
123.04420	1.2
128.06258	4.4
129.06999	10.6
130.07788	2.5
131.08565	11.3
133.10123	7.2
135.11624	2.0
141.06984	4.2
142.07793	21.1
143.08588	11.2
144.09288	3.5
145.10118	44.3
146.10527	1.3
147.11671	3.6
153.05470	7.7
155.08534	3.8
156.09302	2.1
157.10127	100.0
158.07268	2.6
158.10617	4.8
159.08061	1.8
159.11697	29.5
160.12050	2.1
161.09618	4.1
167.07034	8.7
167.08395	1.7
169.05003	2.6
169.10130	1.8
171.08017	2.7
171.11696	3.3
172.12433	7.5
173.09615	3.8
173.13213	3.8
175.11203	3.7
181.08609	6.6
181.10034	1.3
185.13242	25.2
186.13713	1.6
187.07573	2.6
189.09143	3.7
191.10617	1.4
199.14815	30.3
200.15594	40.7
201.09137	10.5
201.16385	97.4
202.16750	5.2
204.11620	1.8
207.10181	2.2
217.15865	4.6
219.10118	10.7
221.11734	14.5
227.14320	17.6
257.08051	1.5
259.20581	1.3
275.20175	1.9
277.21661	1.9
285.14792	1.4
293.20694	1.4
303.08630	1.9
313.14236	5.7
345.16916	1.4
373.16434	8.3
375.18054	2.4
467.37265	9.4
531.23828	1.6
549.24261	1.3
573.31824	4.4
608.25476	7.3
608.43463	2.4
609.26935	6.2
609.45013	5.1
623.98535	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79460	1.3
53.03954	2.0
55.05511	5.2
57.07074	4.4
61.25988	1.3
65.21083	1.1
67.05507	13.9
69.00100	2.9
69.00498	13.0
69.07051	7.1
71.08646	4.1
74.31345	1.1
77.35715	1.4
79.05506	8.4
81.07046	11.3
83.04980	2.6
83.08639	2.6
86.14510	1.2
91.05479	12.9
93.07049	12.7
95.04992	2.8
95.08612	13.6
97.06514	1.9
97.84333	1.2
99.08104	1.5
105.07029	16.6
107.04977	1.3
107.08598	9.7
109.10133	10.0
115.05493	2.1
117.07038	9.0
119.08569	11.4
121.06533	1.4
121.10149	5.2
123.04398	1.3
123.08082	1.3
123.11672	1.6
123.33434	1.3
128.06261	3.4
129.06999	9.3
129.20041	1.3
130.07826	2.3
131.08565	11.4
133.10118	7.2
135.08047	1.7
135.11703	3.2
141.07004	3.3
142.07803	20.3
143.08582	16.3
144.09306	3.8
145.10130	49.9
146.10460	2.3
147.04311	1.3
147.11716	3.4
153.05472	11.8
153.44223	1.5
156.09377	4.2
157.10126	96.1
158.10661	3.9
159.08070	2.9
159.11694	29.7
160.12071	2.4
161.09657	4.2
161.13269	1.4
163.11250	2.0
166.06148	1.5
167.07060	9.1
167.08379	1.9
169.04994	2.3
169.10141	2.1
170.10933	1.7
171.08052	1.9
171.11697	5.3
172.12498	7.9
173.09663	5.9
173.11882	1.8
173.13252	5.9
175.11166	4.3
175.14821	2.2
179.14323	3.0
181.08646	5.1
183.11694	2.0
185.13254	24.1
186.13554	1.8
187.07594	1.5
189.09128	2.6
191.10732	3.0
191.18060	1.3
195.10205	1.6
197.13258	2.1
199.14809	30.3
200.15601	42.1
201.09077	10.5
201.16383	100.0
201.85530	1.3
202.16776	5.8
204.07660	1.5
204.11523	2.2
207.10228	2.4
209.20049	1.6
217.15875	5.2
219.10165	10.8
221.11729	14.3
227.14297	20.2
228.14783	1.5
235.13243	2.7
275.20145	2.3
303.08719	1.3
313.14334	4.2
341.13727	1.5
345.17099	1.9
365.42319	1.4
373.16458	6.3
375.17865	3.0
467.37329	14.7
468.37750	1.8
531.23755	3.0
549.25006	5.0
573.31976	6.0
591.24695	1.5
608.26251	3.0
609.27338	9.8
609.45526	6.6
620.51288	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01870	0.6
55.05508	6.0
57.03432	1.5
57.07076	14.5
59.04995	1.5
65.03932	1.5
67.05504	49.2
68.05828	0.9
69.03384	0.5
69.07067	4.0
71.04984	1.2
71.08630	11.8
71.31016	0.5
76.67628	0.5
79.05485	3.1
81.07056	15.3
82.07356	0.4
83.04968	0.6
83.08622	6.1
84.84255	0.5
85.06541	1.1
85.10182	5.7
91.05476	4.6
93.07040	3.0
95.04980	0.5
95.08606	11.7
97.06528	0.4
97.10180	2.5
98.13133	0.4
98.98465	0.8
102.74987	0.4
105.07021	1.6
107.02380	0.4
107.08604	1.9
109.10153	35.1
110.10510	1.1
111.08076	1.3
117.06990	0.8
119.08611	2.0
121.10186	0.6
123.11716	1.9
124.01627	0.5
131.08559	0.8
133.10162	0.6
137.00954	0.4
137.09592	1.2
137.13286	0.7
145.10115	1.4
155.01038	1.0
155.10660	2.0
157.10158	0.5
159.11690	0.5
173.11745	7.5
173.13239	0.5
180.13828	3.3
198.14890	4.9
221.22623	0.5
229.14374	1.7
239.23665	2.9
275.20129	0.8
278.11539	1.5
282.27811	2.0
296.12610	0.9
313.27209	2.5
334.14172	1.6
352.15182	3.4
467.37296	100.0
468.37610	10.7
548.27856	0.4
590.38220	5.9
608.43250	0.5
609.45007	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1811
Annotation	kaempferol 3-glucopyranosyl-2'-rhamnoside
Peak:m/z	Relative Intensity
60.35352	0.3
60.80420	0.3
65.03957	0.7
68.99820	0.4
69.03430	1.2
70.56301	0.5
70.56641	0.8
73.15224	0.4
81.03405	0.7
83.04987	1.6
85.02905	0.8
86.16857	0.3
87.80096	0.3
91.05447	2.1
97.02888	1.1
103.88314	0.4
104.20406	0.4
107.04968	1.1
109.02879	1.1
111.04451	1.2
119.04944	6.9
121.02878	0.7
123.04433	2.9
127.03915	100.0
128.04251	2.3
131.04892	0.6
133.06506	1.8
134.06000	0.8
135.04387	1.8
139.03859	2.8
146.06004	0.6
147.04408	33.1
148.04707	0.8
151.03925	0.7
159.04448	1.7
161.05887	0.6
162.05519	5.4
163.03873	1.8
165.05545	0.6
165.07001	0.6
169.04926	0.8
173.07185	0.6
174.03123	0.4
174.05562	1.1
177.05525	1.0
179.03401	0.7
183.08066	0.6
189.05428	0.8
191.03377	0.8
191.08150	4.4
201.05441	2.2
202.06303	2.4
203.03337	0.5
211.07617	0.7
213.05470	1.0
221.04431	0.4
229.04938	1.7
230.05742	2.2
239.07011	0.9
241.05067	0.6
245.04462	1.6
247.06152	0.9
249.05426	0.4
257.04486	1.7
258.05267	6.9
259.05890	0.4
263.05679	0.6
267.06577	1.0
268.03693	0.6
271.05963	0.5
285.07602	1.1
286.04712	19.5
286.07907	1.0
287.05423	2.4
289.07047	0.6
293.04770	0.4
301.07056	94.6
302.07324	5.2
303.08539	1.8
321.09967	0.6
384.66245	0.5
407.07721	0.4
463.12363	1.9
609.17896	3.6
610.20074	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.4
54.43459	0.1
55.01871	0.4
55.05509	0.2
65.03941	0.6
68.99783	0.2
69.03413	0.7
69.37785	0.8
71.83524	0.1
73.02911	0.2
81.03421	0.7
83.04975	1.2
85.02899	0.4
88.66623	0.1
91.05477	3.2
93.03403	0.2
95.01306	0.3
95.04980	0.3
95.16998	0.2
97.02896	1.3
98.23310	0.2
99.04428	0.2
103.05477	0.2
105.07036	0.5
107.04947	1.1
109.02872	1.0
111.04467	0.7
119.04940	7.4
120.05273	0.2
121.02898	0.9
123.04449	0.5
127.03911	100.0
128.04251	2.5
131.04932	0.7
133.06483	3.0
133.07423	0.3
135.04428	0.4
137.02344	0.5
139.03877	0.7
145.04924	0.2
145.06487	0.7
147.04404	35.2
148.04756	1.1
149.02342	0.2
149.05986	0.5
155.08528	0.2
157.06520	0.3
158.03673	0.2
159.04411	3.1
159.09189	0.4
160.04764	0.2
161.05971	0.6
163.03912	0.5
165.05493	1.1
165.07024	1.1
167.08574	0.3
169.06471	0.2
173.05971	0.4
177.05475	0.6
177.06895	0.2
181.06461	0.3
183.08008	1.0
189.05447	1.0
191.03340	0.2
193.06459	0.2
195.08031	0.4
197.05972	0.5
199.04060	0.3
201.05470	0.6
211.07552	1.1
213.09117	0.2
215.07033	0.3
219.06519	0.8
221.05981	0.5
223.07495	0.5
225.05446	0.2
239.06995	1.2
241.08647	0.3
243.06552	0.2
249.05403	0.8
257.08057	0.5
267.06488	1.4
285.07556	1.4
291.08524	0.2
301.07208	0.2
303.08618	5.2
303.12106	0.3
304.09015	0.4
321.09668	2.0
322.10229	0.2
332.92932	0.1
380.08884	0.1
421.59808	0.2
429.92886	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34161	0.2
52.81331	0.2
53.03931	0.9
55.01865	0.7
56.94698	0.2
57.03437	0.3
65.03930	0.3
67.01875	0.5
69.03425	2.2
69.39813	1.0
73.02921	0.4
73.48447	0.2
79.05485	0.4
81.03416	1.7
85.02901	2.9
88.26652	0.2
89.04569	0.2
91.05496	1.1
95.01342	0.9
95.04955	0.7
95.13200	0.2
97.02891	2.6
98.22661	0.3
99.04444	0.4
103.05470	0.4
105.07039	1.3
107.04951	6.9
109.02846	2.1
111.04386	0.6
117.07037	1.5
119.04933	2.0
121.02874	0.7
121.06522	0.6
123.00772	2.0
123.04428	0.8
125.02366	0.6
127.03909	100.0
128.04263	2.1
131.04907	1.8
133.06485	6.9
135.04359	0.5
137.02310	0.4
138.55333	0.3
141.01793	1.9
144.08035	1.2
145.04990	0.9
145.06473	8.4
146.06721	0.3
146.16631	0.2
147.04395	6.0
149.06018	1.0
153.06996	0.5
155.06030	0.3
157.06470	1.1
159.04384	0.5
159.08057	0.9
161.05988	0.6
162.06805	0.5
163.03920	0.7
163.07544	0.7
165.01785	0.3
165.05600	0.5
165.07002	2.0
167.08578	1.3
169.06474	1.1
171.08063	0.8
173.05981	4.2
177.05556	0.5
177.07004	0.7
181.06473	0.4
183.08017	2.5
185.09689	0.6
187.07516	0.9
191.03313	0.7
193.06470	0.5
195.08041	2.2
197.05988	2.2
197.09726	0.5
201.05446	0.3
209.04382	0.6
211.07547	4.3
213.05382	0.5
213.09134	2.7
215.06993	1.7
221.06007	0.9
223.07599	0.4
225.05560	0.5
229.08600	0.9
239.07042	3.2
241.08620	0.5
241.46866	0.2
243.06538	0.7
257.08115	2.9
267.06534	2.2
275.06271	0.5
275.09125	5.5
276.09375	0.5
285.07651	4.2
286.07864	0.4
289.09131	0.4
301.07120	0.8
303.08582	4.0
304.08908	0.4
321.09644	2.1
427.89667	0.3
465.13745	0.3
504.55740	0.3
609.21130	1.0
629.17651	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11026	0.3
71.19955	0.6
71.20302	0.4
84.01176	0.3
86.09670	0.5
91.17154	0.3
96.01411	0.4
137.05951	0.5
138.86481	0.3
141.43504	0.4
239.09485	0.4
246.60576	0.3
355.07013	0.4
363.12079	0.9
367.11511	1.2
379.11603	1.3
381.13184	1.1
382.13876	2.3
383.14612	0.6
394.13983	1.9
397.12543	4.3
411.14304	0.7
412.14960	6.5
413.15604	1.6
425.15509	0.4
561.20746	0.5
572.93719	0.4
579.22223	1.4
609.22980	100.0
610.23334	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.9
67.05503	1.5
69.07069	1.2
79.05471	1.2
81.07057	2.0
83.08598	0.8
93.07065	1.9
95.08603	2.3
98.22609	2.4
98.98464	0.8
105.07067	2.0
107.08611	1.8
109.10143	0.9
119.08598	1.8
121.10145	1.1
129.07033	0.7
131.08563	1.4
133.10173	0.9
145.10164	1.0
147.11743	0.8
157.10114	0.9
192.77713	0.7
201.16428	1.0
203.17949	1.8
209.31990	0.7
234.13586	0.7
355.06961	0.7
355.15509	2.8
389.18250	1.1
390.18375	0.8
391.19357	2.0
397.75314	0.7
401.17929	1.0
402.19000	0.9
403.19354	1.1
405.20792	2.9
406.21402	2.2
407.22202	3.3
408.23172	0.7
415.19394	1.3
420.23026	0.8
421.23978	4.2
422.24689	1.0
427.19263	0.9
429.20816	2.0
433.20239	1.2
445.20285	1.2
447.18057	2.4
457.24207	1.5
459.21866	1.5
460.23032	1.4
461.19089	5.3
462.20370	2.5
463.21082	2.3
471.18134	1.3
472.22925	0.9
473.19656	0.8
474.20346	1.5
475.21094	10.5
476.21893	8.4
477.22522	7.3
478.23486	1.0
485.23578	5.2
486.19806	1.5
488.22235	1.2
489.22549	5.6
493.24640	0.8
494.27042	1.1
497.23480	1.0
499.21069	4.0
500.22092	2.1
503.24402	6.4
504.24948	1.4
505.22296	0.9
507.23972	1.1
513.22803	1.1
515.24426	5.9
517.22339	2.4
518.23108	1.7
521.25122	3.0
531.23944	9.9
532.24200	1.0
549.24994	1.7
550.25671	4.1
559.23273	6.2
560.24231	0.9
563.26727	1.8
577.24573	2.3
591.26019	17.0
592.26233	1.9
609.27045	100.0
610.27374	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2709
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
50.80045	0.5
57.58110	0.5
69.24133	2.0
69.24542	1.6
76.37260	0.5
77.94602	0.5
81.07050	0.8
93.07039	0.7
93.77719	0.5
95.08642	1.0
101.29889	0.6
105.07048	0.6
230.45955	0.5
282.83649	0.5
349.00693	0.5
376.17105	0.7
377.17780	0.7
388.18243	0.8
389.18735	1.1
390.18604	0.8
391.19217	1.5
392.20032	1.4
401.17715	0.7
402.18314	0.5
403.19571	0.9
404.20453	1.1
405.21234	2.7
406.21768	1.5
407.22333	2.8
415.18994	2.7
417.20786	1.0
419.22958	1.0
420.23187	0.7
421.24088	2.8
422.24750	0.6
427.19098	0.8
429.20804	1.9
430.21704	1.6
432.19174	1.1
433.20026	1.2
433.24854	0.8
435.21588	0.7
443.22656	1.1
444.23181	1.1
445.20215	0.6
447.18317	1.7
457.24362	2.4
459.21741	2.4
460.22638	1.6
461.19196	4.2
462.20670	1.8
463.21210	2.2
470.21411	0.5
471.17999	0.6
472.22925	0.6
474.20627	1.5
475.20999	6.6
476.21542	5.1
477.22501	4.1
478.23456	0.6
479.24796	0.7
485.23697	4.8
486.19626	2.4
489.23032	4.5
493.22299	1.0
494.26685	0.9
497.23633	1.0
499.21353	2.0
500.22336	0.9
503.24393	4.6
504.24686	1.7
513.22900	1.5
515.24402	4.8
516.25409	0.8
521.25269	2.2
531.23907	13.5
532.24921	1.1
549.24921	2.5
550.25671	2.9
559.23303	6.1
560.23694	0.8
577.24554	1.1
591.25952	34.4
592.26501	4.1
609.27057	100.0
610.27435	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.9
53.03945	2.7
54.69685	0.7
55.01870	2.5
55.05517	21.4
57.03442	5.4
57.07074	2.8
59.05012	1.0
64.46500	0.7
65.03931	2.1
67.05508	32.7
68.03217	0.7
69.01320	5.3
69.01742	2.4
69.06728	1.3
69.07070	17.0
71.04987	2.3
79.05496	22.6
81.07060	37.2
82.07436	1.1
83.04984	2.1
83.08619	8.8
85.06561	1.7
91.05479	21.9
91.06006	1.4
93.07047	25.2
95.04970	2.1
95.08609	32.3
96.08948	1.0
97.06544	3.0
97.10155	4.7
98.22984	4.1
98.31609	0.7
100.16650	0.8
103.05458	0.8
105.04542	1.4
105.07030	22.2
107.08595	16.6
108.08955	1.0
109.06518	1.2
109.10162	10.9
110.10507	0.7
111.08083	1.8
115.05484	1.3
117.07035	13.0
119.08585	21.6
121.10139	10.7
123.08067	1.9
123.11733	3.0
125.09668	1.4
128.06200	4.7
129.05540	1.2
129.07008	18.1
129.31717	0.7
130.07793	1.0
131.08580	21.4
131.09494	1.5
133.10138	16.6
135.08043	0.9
135.11691	5.4
137.13274	0.9
141.06984	7.7
141.12624	0.7
142.07793	5.0
143.08572	22.4
144.09262	0.9
145.06616	0.9
145.10127	20.1
146.10582	1.2
147.11696	9.1
149.13271	3.8
153.07013	2.4
154.07799	1.7
155.08569	16.7
156.09271	2.1
157.10136	19.5
159.11714	16.2
161.13260	4.9
163.14900	2.1
165.07025	2.8
166.07777	1.1
167.08554	7.9
168.09381	2.9
169.10130	22.4
169.11493	1.5
170.10741	2.2
171.11697	15.4
171.13089	1.2
172.12180	1.4
173.13274	8.8
175.14838	2.7
179.08519	3.5
180.09401	1.7
181.10114	11.2
182.10902	2.3
183.11702	21.1
184.12254	1.8
185.13275	13.1
186.13611	1.0
187.14813	5.2
189.16443	1.5
191.08606	1.1
193.10115	4.6
194.11026	1.2
195.11684	11.2
196.12259	1.8
197.13268	16.3
198.13771	0.8
199.13287	1.3
199.14839	8.1
201.12842	1.0
201.16399	1.9
203.17998	1.4
205.10208	1.1
207.11694	5.2
208.12416	0.9
209.13263	12.2
210.13850	1.1
211.14824	11.0
211.16667	1.1
212.15425	1.1
213.16382	5.8
214.16949	0.9
215.17978	1.8
219.11693	2.1
220.12622	0.9
221.13351	4.4
222.14005	1.2
223.14839	9.2
225.16411	7.2
227.18005	3.3
233.13284	1.0
235.14905	3.5
237.16345	6.0
239.18005	3.4
241.19788	1.6
243.17603	1.6
247.14845	1.7
249.16475	2.5
251.17972	4.4
253.19588	2.1
255.21255	0.9
257.19067	1.8
261.16330	1.3
263.17935	1.6
265.19501	2.1
267.21207	1.2
269.22617	1.0
275.17819	1.3
275.20444	0.9
277.19397	1.7
279.21014	1.4
283.20410	1.1
285.22192	1.3
289.19339	0.9
291.20911	0.8
293.19003	1.0
293.22144	1.0
295.20618	1.1
297.22083	1.0
299.20251	1.4
299.23734	1.6
303.28021	0.8
305.22540	0.9
307.20535	1.3
309.21970	1.4
311.23703	1.0
313.25366	0.9
321.21964	1.1
323.23697	1.7
325.21722	1.1
327.23297	1.1
335.23752	2.3
337.25403	1.4
339.23111	1.1
339.26770	1.0
347.23914	0.9
349.25427	1.3
351.27072	1.9
353.24307	0.9
355.26587	1.0
363.26846	1.1
365.28339	1.7
369.28049	1.0
379.26102	1.2
379.30307	1.1
383.29379	1.0
391.29858	1.0
393.31961	1.1
409.31226	0.8
421.30148	1.0
429.31134	0.9
433.19205	1.0
435.32758	1.1
437.19656	0.8
447.32468	2.0
448.21976	2.1
449.34613	0.9
473.32611	1.0
475.34860	0.9
483.35056	0.8
499.39487	2.2
501.36359	0.9
507.34958	1.2
517.40515	14.9
518.41052	1.6
521.24390	2.1
521.36340	1.1
535.41833	6.1
539.37408	1.9
540.37567	1.1
549.24042	2.5
555.42029	0.9
581.26611	1.2
584.62732	0.9
591.44141	15.5
592.44434	2.4
609.26367	16.4
609.45135	100.0
610.26654	1.7
610.45557	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81650	0.6
53.03943	1.7
55.01867	2.1
55.05243	0.9
55.05512	18.6
57.03441	3.4
57.07066	2.9
59.04987	0.7
65.03934	1.8
67.05505	28.2
68.05826	0.7
69.07067	15.0
69.15846	2.0
69.16245	2.2
71.04993	1.8
79.05491	17.6
81.07056	29.9
83.04979	3.7
83.08614	8.9
83.78158	0.6
85.06543	1.8
91.05464	17.5
93.07043	21.4
93.07624	1.1
94.07374	0.7
95.04972	2.5
95.08607	23.6
95.71116	0.6
97.06530	2.7
97.10165	3.4
98.98496	0.8
99.08087	1.3
103.05462	0.8
105.04507	0.6
105.07027	17.1
105.59167	0.6
106.07389	0.6
107.08594	12.1
109.06546	1.0
109.10161	10.7
111.08051	1.5
111.11711	0.8
115.05453	2.2
117.07010	11.2
118.07355	0.6
118.81503	1.0
119.08580	16.7
120.08891	0.8
120.92041	0.8
121.10142	8.5
123.08078	1.6
123.11678	3.2
125.09647	1.7
128.06209	4.5
129.07008	12.9
130.07756	1.1
131.08565	16.9
133.10121	12.1
134.10440	0.8
135.11690	4.7
135.12529	0.6
137.13219	0.8
141.06969	6.0
142.07776	3.0
143.08559	17.3
144.09102	0.8
145.10129	16.7
147.11691	8.9
149.09663	1.0
149.13286	3.9
149.14340	0.6
151.14668	0.7
153.07007	1.9
154.07776	2.6
155.08543	17.0
156.09290	1.6
157.10129	17.3
159.11693	12.1
161.12123	0.8
161.13260	4.3
162.69060	0.8
163.11137	0.7
163.14841	1.3
165.07030	2.4
166.07796	1.7
167.08527	6.8
168.09364	2.9
169.10126	19.1
170.10855	1.5
171.11697	13.2
173.13252	7.0
175.14810	2.6
178.07774	0.6
179.08574	3.4
180.09334	1.3
181.10126	9.9
182.10909	1.9
183.08232	0.8
183.11690	18.9
184.12334	1.2
185.13261	11.6
187.14818	3.6
189.16400	1.2
191.17824	0.7
193.10130	3.7
194.10913	1.6
195.11682	10.6
195.13312	0.9
196.12384	1.4
197.13260	14.4
199.14818	7.2
201.16393	3.2
203.17944	1.2
205.10156	1.8
207.11685	4.4
208.12424	0.8
209.13229	8.1
210.13977	0.9
211.14815	10.5
213.16418	6.2
214.77760	0.7
215.17949	1.6
219.11801	1.2
221.13246	4.2
223.14799	7.9
225.16414	5.7
227.16106	0.9
227.18001	2.9
235.14865	2.6
237.16405	4.9
239.09373	0.9
239.17969	4.4
241.19606	2.1
249.16486	1.4
251.18030	2.7
253.19690	1.6
255.21327	1.2
257.19049	2.0
261.16470	1.0
263.17902	1.3
265.19519	1.6
267.13708	0.9
267.17346	0.8
267.21130	0.8
269.18896	0.8
273.22571	0.8
275.20450	0.9
277.19559	1.4
279.21115	1.7
283.20578	1.1
299.20322	1.0
301.21490	1.0
309.22061	1.3
311.20157	0.8
311.23718	1.4
313.21823	1.1
321.22043	0.8
323.12521	0.9
323.23685	1.6
325.25528	1.2
333.22351	0.8
335.23608	2.1
337.25137	2.3
339.23203	1.1
339.26944	1.0
341.24866	0.9
343.42026	0.8
349.25278	1.5
351.26868	2.6
353.24957	1.1
355.07025	1.5
355.15442	2.6
355.26266	1.2
365.28622	1.8
369.27689	0.9
377.28571	1.1
379.29877	1.2
387.18027	1.0
391.29874	1.1
393.27246	1.2
393.31778	1.6
405.31754	1.6
407.29370	1.1
409.31183	0.9
419.28644	0.9
429.31204	0.7
435.32544	1.1
447.32489	2.0
449.34396	0.9
487.34250	0.9
499.39288	2.0
501.35416	0.9
507.34354	0.8
517.40417	13.5
518.40863	2.0
535.41370	7.0
536.41608	1.0
539.37280	1.9
553.42749	1.3
555.42224	0.8
573.42773	2.2
574.43237	1.1
591.44080	15.0
592.44153	1.7
609.45081	100.0
610.45496	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.9
67.05515	4.5
68.12286	1.5
69.07079	1.6
69.25048	3.6
69.25454	6.4
73.04347	2.4
73.04758	48.0
75.02706	2.0
79.05496	5.6
81.07071	5.5
91.05804	100.0
93.07037	3.9
95.08624	2.7
98.23212	4.4
105.07068	3.4
107.08632	1.5
114.07365	9.4
118.76651	1.1
119.08629	2.0
121.10131	2.0
133.10139	2.7
149.04437	7.9
167.05559	29.2
168.05513	1.4
171.11716	1.9
219.17522	1.6
221.08469	4.7
225.04315	6.9
227.02052	1.8
239.09492	34.8
240.09534	2.9
266.99939	6.8
267.22275	1.4
268.97800	16.9
275.20145	2.8
283.03119	7.7
285.00955	37.4
286.01041	3.5
299.06201	34.1
300.06400	2.7
303.02032	4.3
344.97653	8.3
355.06982	87.9
356.07043	7.1
371.10342	1.7
373.08124	4.9
390.17465	1.5
400.98337	1.7
402.96298	6.6
405.20300	3.0
406.20676	2.1
415.03802	6.7
418.21054	1.9
418.99490	12.3
419.21600	2.9
419.99820	2.1
420.22449	2.3
421.22714	1.6
432.18616	2.5
433.19211	5.0
434.19363	2.6
434.24527	1.9
435.24655	4.3
436.25104	3.3
446.20056	3.2
447.20987	5.2
448.21173	7.1
449.22318	5.0
460.22409	3.1
461.22772	7.5
462.23059	10.7
463.23700	12.7
464.24207	5.5
475.24109	2.3
489.05774	2.5
548.27502	4.5
549.27679	15.6
550.27917	28.5
609.29730	32.6
610.19415	3.8
610.29956	80.0
611.30707	1.5
611.47052	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45990	1.7
55.07054	2.0
67.05482	1.8
69.03423	6.2
73.04736	4.0
79.05489	5.5
81.07055	5.7
83.01334	4.4
83.04996	4.1
91.05476	7.1
93.07019	4.3
95.04967	5.1
97.02934	2.4
97.06538	2.7
105.07029	5.6
107.04916	3.1
107.08604	3.4
109.06503	7.7
115.05450	3.0
117.07023	4.2
119.08586	6.4
121.06504	7.7
123.04440	2.9
123.08069	4.5
129.06996	5.8
131.04938	3.0
131.08586	9.1
133.06465	4.3
133.10178	2.8
135.08046	5.3
137.05972	7.2
141.06996	3.9
142.07828	3.2
143.08572	8.2
145.06468	5.8
145.10109	6.7
147.04420	2.9
147.08066	8.9
149.05963	7.2
149.09679	4.3
151.07550	14.7
153.07010	2.8
154.07706	2.0
155.08536	4.1
157.06543	3.0
157.10106	3.6
158.07266	2.1
159.08113	12.9
161.05994	7.1
161.09601	6.5
163.07564	4.1
165.05515	6.4
167.08606	2.7
169.10143	3.4
171.08055	3.7
173.06004	3.9
173.09651	5.3
175.07582	7.1
175.11078	2.7
177.09113	6.2
179.08504	1.9
180.09204	2.2
181.10135	4.1
183.08086	3.7
183.11697	3.3
185.06027	5.9
185.09518	9.5
186.06784	3.5
187.07584	4.3
187.11192	5.9
189.05441	2.2
189.09149	6.0
191.07010	6.1
195.08098	2.8
197.09663	5.5
199.07428	4.0
199.11134	3.2
201.05499	7.8
201.09161	4.1
203.06999	7.2
203.10687	2.3
205.08589	4.4
207.10100	4.1
207.11816	2.3
209.09514	2.9
211.07541	4.5
211.11151	5.3
213.05405	1.8
213.09109	7.2
215.10732	3.6
219.06525	3.5
221.09680	3.1
223.11165	3.7
225.09152	1.9
225.12730	3.3
227.10645	3.5
229.08507	3.5
231.10121	5.7
234.40825	1.8
235.11064	1.8
239.10841	2.3
241.08521	2.9
241.12312	3.3
243.10207	2.5
247.11182	3.1
249.12801	2.1
251.10641	2.6
253.12286	11.1
255.13785	7.7
257.08032	4.9
261.12720	2.4
263.10556	3.8
265.12170	5.3
267.10162	2.0
267.13651	2.6
269.11743	2.1
277.12238	2.1
281.11700	15.9
282.12280	2.3
285.07651	10.4
289.12109	2.9
291.13516	2.2
299.12698	10.3
305.14859	2.1
309.11197	3.4
311.12775	2.9
317.15250	2.1
321.14734	2.8
333.14914	2.8
335.16635	2.6
347.15125	2.7
355.06958	2.9
363.15945	2.9
379.15222	2.7
389.13583	3.7
391.14639	2.4
391.19196	2.7
401.17844	2.0
407.14758	3.4
409.20465	2.1
417.17383	3.3
419.18649	4.4
429.17337	2.4
435.13739	3.7
435.18765	3.2
437.19489	5.1
445.16461	2.2
447.17844	5.4
453.15015	11.3
463.17224	10.4
465.18976	21.2
473.15771	2.2
481.18439	13.0
483.20032	6.0
491.16898	9.4
495.20258	3.2
501.17365	10.1
509.18024	61.3
510.18228	5.9
511.19635	5.7
513.21222	5.2
519.18683	19.2
520.18726	2.1
527.19104	100.0
528.19464	11.6
529.20422	9.8
531.14026	3.3
531.22241	67.6
532.22357	9.1
539.18915	7.4
553.48883	1.8
557.20166	61.6
558.20569	9.0
575.21124	28.5
576.21454	2.9
593.21948	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17952	6.1
55.01852	8.1
67.05508	12.0
69.03428	43.4
69.07066	10.8
71.04996	17.7
73.04751	40.5
79.05495	21.3
81.07064	37.5
83.04987	8.9
84.26804	6.4
85.02888	7.8
87.04469	9.8
91.05868	54.5
93.07047	15.6
95.04974	17.8
95.08611	31.4
97.02911	7.7
97.06537	12.4
99.04478	34.2
105.07047	24.0
107.04942	18.2
107.08600	15.0
109.06517	32.5
117.07022	8.9
119.04940	9.2
119.08590	15.5
121.06478	13.9
121.10148	9.6
123.04449	6.2
123.08057	18.7
125.05907	9.4
129.07014	12.8
131.04965	9.5
131.08537	15.7
133.06471	13.7
135.08041	15.8
137.05977	81.5
139.07536	14.1
141.07060	7.3
143.08569	19.0
145.06480	16.2
145.10167	11.7
147.04404	28.0
147.08032	21.6
151.07526	21.9
153.07011	8.2
154.31535	7.7
155.08543	17.9
159.08069	15.0
160.40240	6.6
161.05949	10.8
161.09537	7.5
163.07561	20.8
165.05432	7.4
167.05556	22.0
167.06998	13.3
167.08545	9.3
169.06407	7.5
169.10150	9.6
171.08067	28.8
173.05992	13.4
173.09648	27.2
175.07480	14.5
175.11148	6.8
177.05519	7.6
179.08615	13.5
181.10127	18.1
183.08072	10.1
185.06186	6.4
185.09636	15.7
187.07512	15.9
187.11227	26.7
189.05417	10.5
189.09082	16.3
193.10152	9.9
195.11798	8.6
197.09656	9.8
199.07648	9.5
201.09116	14.2
205.10207	9.2
207.11739	9.3
209.09705	10.5
211.11169	15.8
215.10614	7.1
219.08109	8.9
219.10004	8.6
220.09088	7.0
221.13239	7.5
223.11327	10.0
225.09035	10.0
225.12775	10.0
227.10715	8.3
231.11723	7.9
235.11201	23.5
237.09192	8.6
237.12744	17.4
239.09534	23.3
244.12520	9.8
245.09633	8.9
249.12750	8.2
251.10577	6.7
253.12137	7.3
259.11157	10.0
261.12589	9.3
263.14447	12.4
265.12137	6.9
273.12927	15.6
275.14069	6.5
278.08862	6.7
279.13885	10.1
281.12003	7.6
285.00986	20.8
291.13547	12.8
299.06143	19.8
299.12720	12.8
303.05106	13.3
305.15375	7.0
307.12979	7.6
309.14725	10.8
317.13910	11.1
321.14679	10.4
323.16275	8.7
347.16293	9.3
351.15982	10.8
355.07001	49.7
356.07187	9.6
365.17313	8.8
369.16928	17.2
373.18143	14.1
391.19131	18.9
401.17426	13.0
409.19797	13.3
415.18387	7.7
418.99323	10.3
419.18472	54.5
433.20062	10.4
435.17300	8.1
435.22302	8.6
437.19553	100.0
438.19803	9.5
443.18219	9.6
455.20691	64.3
456.20914	9.3
461.19370	21.9
465.18564	9.5
467.20166	8.6
479.20599	53.7
497.21671	83.5
511.19449	8.4
515.23273	38.8
525.21204	32.0
529.20593	27.5
539.19025	12.0
543.22321	22.5
547.21399	11.5
561.23016	18.6
610.23132	51.6
610.31818	10.8
611.23291	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.05511	2.0
55.97150	0.9
57.03428	1.4
61.02938	2.7
67.05488	5.7
67.72516	0.9
69.03427	2.8
69.07063	2.6
71.05000	3.1
73.04752	2.3
76.85055	1.1
79.05490	5.1
81.03408	1.2
81.07046	12.9
83.04976	1.4
83.08622	1.0
85.02908	17.8
91.03971	1.5
91.05419	6.2
93.07049	9.0
95.04973	1.4
95.08611	11.8
97.02907	5.2
97.06545	1.1
98.74319	0.9
105.07030	16.2
107.08595	8.8
109.02865	1.6
109.06534	3.3
109.10168	5.6
111.04446	1.6
111.08118	2.9
117.07014	5.9
119.08587	6.6
121.06515	1.5
121.10129	5.2
123.08009	1.2
123.11674	1.2
125.06020	3.0
127.03937	4.8
131.08577	13.3
132.55060	0.9
133.10130	5.2
135.04402	2.0
135.08054	2.3
135.11716	2.7
137.05980	3.0
139.07437	1.3
143.08562	2.0
145.04909	5.4
145.10114	17.0
147.08153	1.5
147.11679	25.0
147.12747	1.8
149.05943	1.8
149.09610	1.7
149.13257	4.6
151.07616	1.2
157.10118	1.6
159.08070	2.3
159.11726	5.8
161.13261	1.6
163.06038	3.4
163.07448	2.1
163.11206	1.7
165.09155	1.1
173.09604	2.8
175.11243	3.3
175.14810	2.4
176.93388	1.0
177.09145	3.8
177.16393	4.2
187.14818	18.8
191.10670	3.5
193.12280	0.9
197.13181	1.2
203.14397	1.2
205.15878	29.3
205.17735	2.0
206.16321	1.1
215.14328	5.8
221.15482	1.9
228.78101	1.1
233.15355	100.0
234.15642	5.6
239.09422	1.2
251.12627	1.9
251.16431	37.4
252.16742	2.2
257.77365	1.0
269.17584	1.3
287.05466	3.7
303.04935	6.2
355.06946	1.8
377.19626	2.0
395.20593	5.7
413.21832	1.7
557.20239	1.6
575.20776	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01867	0.7
55.05498	2.0
56.96533	0.5
57.03423	2.4
57.07064	0.8
61.02921	3.1
62.97881	0.5
67.05502	7.0
69.03426	4.9
69.07041	2.7
70.70182	0.6
70.70497	0.8
71.04974	1.8
73.02902	2.3
73.04700	0.6
79.05492	6.5
81.03401	2.5
81.07053	13.0
81.07793	0.5
83.04957	1.1
83.08620	1.3
85.02901	22.0
91.03945	1.0
91.05471	9.5
93.07037	10.9
93.87791	0.5
95.04972	1.9
95.08602	12.3
96.08958	0.6
97.02892	6.9
97.06533	1.4
97.10160	0.6
97.83811	0.6
99.04438	1.4
105.07027	17.1
107.08578	8.9
109.02888	1.5
109.06507	3.5
109.10152	7.8
111.04428	1.8
111.08055	2.8
117.07005	5.4
119.08578	9.4
121.06443	1.4
121.10149	7.7
123.04423	0.8
123.08087	1.5
123.11709	1.9
125.05963	2.4
127.03914	5.3
129.06938	0.8
131.08572	15.5
133.06528	0.8
133.10112	5.7
135.04408	1.6
135.08022	1.5
135.11697	4.8
137.05959	3.1
139.07558	1.8
143.08525	1.3
145.04953	7.0
145.10110	18.3
146.10483	1.0
147.08064	0.8
147.11682	30.4
148.12054	1.2
149.05984	1.8
149.09613	1.3
149.13246	5.1
151.07581	1.0
153.09122	0.6
155.08559	0.7
157.10133	2.3
159.08040	1.4
159.11691	8.3
161.09634	1.0
161.13283	1.6
162.07651	0.6
163.06004	3.8
163.07539	2.7
163.11174	1.2
165.12720	0.6
171.11710	0.8
173.09615	1.5
173.13248	1.4
175.11195	5.4
175.14778	1.5
176.11369	0.5
177.09070	3.8
177.16371	6.2
180.08659	1.3
187.11182	0.7
187.14815	21.9
188.15175	1.1
191.10674	2.7
193.12201	2.3
197.13217	1.5
203.14323	1.1
205.15865	28.0
206.16264	1.4
215.14311	7.1
221.15353	2.4
233.15350	100.0
234.15710	5.0
251.16414	49.3
252.16605	2.5
302.04166	0.9
303.04984	5.7
317.06549	5.7
377.19568	1.5
395.20593	8.1
396.21371	0.6
401.88351	0.5
413.21597	1.7
509.17804	1.0
545.21167	0.5
548.81152	0.5
549.23474	0.8
575.21198	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.1
55.05514	19.1
57.03449	2.5
59.05008	3.6
66.29582	1.6
67.05500	5.8
69.03432	3.8
69.07063	4.7
69.13244	4.8
69.13662	7.5
71.05000	1.7
73.04770	4.1
75.37557	1.4
79.05486	9.0
81.03426	2.6
81.07049	14.3
83.04980	26.9
83.08629	4.6
85.02936	2.8
85.06567	4.7
91.05445	4.6
93.07057	12.9
95.04979	4.1
95.08624	10.8
97.06551	5.8
98.22596	3.7
99.04450	6.5
101.06018	54.4
105.07024	15.0
107.04978	1.9
107.08611	12.1
109.06510	31.5
109.10173	3.3
111.04424	3.1
111.08060	7.8
113.06074	1.6
113.09667	3.9
115.05470	1.7
115.07575	6.5
117.07044	4.0
119.04981	1.9
119.08591	12.4
121.06548	2.9
121.10137	9.5
123.08084	6.8
125.05981	3.6
127.03993	1.8
128.06248	2.0
129.05484	7.3
129.06990	4.6
129.09126	5.7
131.08586	9.9
131.61998	1.6
133.06459	2.2
133.10104	9.5
135.08047	2.8
137.05963	8.5
137.09596	2.7
139.11195	2.8
141.06975	3.5
142.07816	4.7
143.08575	11.6
145.06496	2.5
145.10129	8.3
147.08096	4.6
147.11690	2.9
149.09628	5.7
151.07660	1.9
153.05507	3.9
154.07790	1.8
155.08545	11.2
156.09386	2.9
157.08801	2.9
157.10156	13.2
159.08072	6.9
159.11697	5.8
161.09630	4.9
163.07516	2.1
165.06944	2.7
167.05577	3.0
167.07103	2.4
167.08585	5.4
167.10695	5.7
168.09224	2.3
169.08760	2.7
169.10042	9.0
171.08078	4.5
171.11720	8.2
173.09589	6.3
173.13361	2.7
175.11201	5.3
177.09132	2.3
179.08568	6.3
180.09331	4.4
181.10118	7.8
183.11708	9.2
184.08772	1.7
185.09610	5.2
185.13338	4.4
187.11224	5.4
192.09314	2.1
193.10185	8.5
193.11717	1.8
194.10846	4.1
195.08040	2.6
195.11705	11.2
197.09627	4.2
197.13274	6.5
199.11221	5.6
199.14876	4.1
201.12814	3.7
203.08623	1.7
205.10146	2.8
206.10884	5.1
207.09981	2.4
207.11728	6.0
209.09660	4.9
209.13242	13.6
211.11195	6.2
211.14859	4.9
212.11833	1.8
213.11182	2.0
213.12904	2.2
217.10286	2.2
218.10960	2.9
219.11714	4.5
220.12486	2.5
221.13196	9.7
223.11188	6.3
223.14844	5.1
225.12668	7.7
227.14294	21.8
231.11780	2.1
232.12544	3.1
233.13243	5.3
233.46388	1.6
234.13998	2.1
235.11189	2.8
235.14722	7.4
236.15646	1.6
237.12753	4.0
237.16322	2.6
239.14423	3.3
241.15814	2.2
245.13266	6.1
246.13895	3.0
247.14862	6.8
249.12764	4.4
249.16289	5.4
250.13489	1.7
251.14279	3.7
253.12347	2.1
253.15858	4.4
257.13144	2.1
257.15494	3.0
259.14862	3.4
260.15463	2.3
261.12671	2.6
261.16614	2.0
263.14316	2.4
263.17947	2.0
265.12302	2.0
265.15887	6.8
265.19434	3.0
266.16666	2.3
267.13770	4.0
273.16422	3.1
275.17938	4.4
277.15945	3.2
281.15359	9.4
283.17123	4.0
287.18094	3.4
289.19485	3.3
291.17575	4.0
293.15765	3.5
293.18985	19.9
294.19519	5.0
295.17114	2.0
303.05142	2.9
303.16034	1.9
305.19016	3.5
307.20569	1.9
311.20068	10.9
317.19022	2.2
323.16550	1.9
323.20105	2.7
339.16003	2.0
341.17545	6.3
349.21478	2.2
351.19614	4.2
355.07013	7.0
357.16986	4.3
357.21487	2.1
359.18640	2.6
365.24603	1.8
367.19162	1.6
369.20645	22.0
369.24963	3.1
375.23160	6.3
376.23438	2.6
387.21680	11.2
389.24768	2.3
393.24307	17.5
394.24612	2.7
405.24210	3.5
411.25681	11.7
421.23764	25.3
422.24530	8.4
423.25385	4.5
425.26978	3.0
433.23923	3.5
439.24832	100.0
440.25317	12.2
441.26315	6.7
451.24838	11.0
452.57693	1.8
453.26184	5.1
465.19019	2.0
469.25909	18.9
470.25867	2.6
471.27301	5.0
475.17392	2.1
479.24158	3.9
485.25287	5.8
487.26944	5.8
493.18777	1.9
497.25317	23.0
498.26132	2.5
499.19986	2.4
499.26923	23.2
500.27512	2.7
511.19681	2.1
515.26410	44.4
516.26514	5.4
539.19031	3.6
575.20575	1.9
610.31879	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.1
62.56754	1.0
65.17316	1.0
67.05503	2.2
69.03416	2.3
70.55194	2.7
73.04758	1.1
77.73097	0.9
79.05494	3.6
81.07063	8.9
83.04972	1.3
91.05463	6.8
93.07047	4.1
95.04965	3.7
95.08607	3.2
97.02905	2.9
97.06532	2.9
99.04455	2.3
105.07052	8.6
105.98022	1.0
107.08593	2.9
109.06506	11.7
109.10132	1.5
111.04457	3.8
111.08060	1.4
117.07000	3.0
119.08576	11.4
121.06484	2.1
121.10136	1.7
123.08083	2.9
128.06253	2.2
129.07008	4.9
130.07874	1.3
131.08537	5.3
133.10135	18.0
133.57460	1.1
135.08002	2.0
137.05949	9.1
137.06805	1.2
139.07533	1.1
141.06995	2.6
142.07753	1.5
143.08542	9.9
145.06508	1.2
145.09064	1.2
145.10104	7.0
147.08046	33.4
147.11694	1.3
147.99983	0.9
148.08443	1.2
149.09666	1.1
153.06998	1.1
155.08546	3.8
156.09352	1.4
157.10091	6.0
159.08067	2.3
159.11720	2.2
161.09627	26.4
162.10045	1.2
165.09079	2.2
167.08585	2.8
168.09320	1.6
169.10124	5.7
171.08055	1.2
171.11684	6.1
173.09628	2.4
173.13278	2.3
175.11275	1.7
178.07742	1.3
179.08623	1.8
181.10088	4.7
183.08043	1.4
183.11691	4.4
185.09680	1.2
185.13249	2.6
187.11244	1.4
189.09132	15.0
192.09357	1.1
193.10092	3.3
195.10138	3.2
195.11731	5.0
197.09583	2.1
197.13283	5.4
199.11240	1.9
199.14833	3.2
201.12762	2.7
203.10664	1.2
207.10147	100.0
208.10684	4.6
208.12396	2.0
209.13271	3.5
211.11125	1.4
211.14838	4.5
212.15683	1.5
219.11752	1.8
221.13290	3.0
223.11230	1.3
223.14838	2.0
225.12727	3.4
225.16219	1.3
227.10721	1.6
227.14265	16.3
227.90318	1.1
228.15109	3.6
233.13423	1.5
235.14803	2.0
237.12871	2.1
237.16512	3.0
239.14346	2.4
247.14737	2.7
249.16330	2.3
251.00014	1.0
251.14265	1.2
253.19479	1.4
261.16473	2.2
263.13919	1.1
263.17679	1.3
265.15970	2.7
267.13708	1.4
267.17422	2.4
267.21307	1.1
277.19589	2.2
279.17526	1.2
285.14832	1.4
293.19016	1.3
295.20572	3.7
303.15869	14.2
305.18988	1.2
323.20038	3.0
343.18832	1.2
355.06842	2.2
371.22101	7.4
399.22153	1.6
403.22791	2.1
421.23730	57.7
422.24106	6.7
433.23703	2.2
435.25064	2.7
439.24878	31.3
440.25217	2.9
451.24878	5.8
457.25742	1.2
461.23651	1.5
479.24091	4.4
497.25388	25.2
498.25549	2.8
515.26508	2.3
547.04071	1.1
557.19971	1.5
610.31812	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.5
56.37437	2.2
67.05500	4.0
69.03429	7.0
69.07079	5.0
70.47732	4.3
70.48058	4.5
73.02904	4.2
73.04765	6.0
76.66733	2.5
79.05508	8.3
81.07047	14.9
83.04958	6.9
91.05443	4.4
91.05850	3.3
93.07055	8.7
95.04959	2.9
95.08606	9.0
97.02892	7.6
97.06548	7.4
105.07039	8.0
107.08620	8.9
109.06524	23.7
109.10173	4.8
111.08112	2.9
115.03948	2.6
117.06999	5.5
119.08594	7.9
121.06495	4.1
121.10144	6.0
123.08073	6.1
125.06030	2.7
129.07036	5.3
131.08557	8.0
133.06488	3.3
133.10126	7.0
135.08041	4.8
137.05905	13.3
137.09573	3.2
138.58974	2.3
141.06984	4.5
143.08566	16.3
145.10120	11.3
147.08043	4.9
147.11679	3.7
155.08601	10.9
157.10144	8.0
159.07997	5.9
159.11746	6.8
161.09615	8.5
163.11357	2.8
167.07184	3.1
167.08560	6.1
169.10031	13.2
171.11732	9.9
173.09686	7.8
173.13333	3.7
175.11131	4.0
179.08630	4.8
179.10579	3.2
180.09081	2.5
181.10129	11.8
182.10890	2.4
183.11703	10.5
185.09616	6.3
185.13297	4.1
187.11159	5.2
189.09070	3.6
189.12903	2.6
191.08745	3.2
191.10689	3.0
192.09354	3.8
193.10109	4.3
195.11612	12.6
197.13252	6.2
199.11465	2.7
199.14838	4.4
205.10089	3.2
207.11710	10.9
209.09607	4.2
209.13341	5.8
211.14844	4.1
213.12883	4.0
219.11714	3.8
221.13277	8.9
222.41573	2.3
223.11165	6.1
223.14729	4.4
225.12865	3.3
232.12569	3.4
233.13258	4.6
235.14938	4.4
237.12781	4.5
237.16476	10.0
239.09604	3.5
239.18027	5.1
245.13332	3.3
247.14815	15.5
249.13089	2.9
249.16257	3.7
251.14384	4.5
261.16537	4.4
262.99490	2.5
263.14444	3.1
265.15796	15.8
266.16373	4.2
267.17468	5.3
267.21054	5.1
275.18185	2.6
277.19507	5.0
285.00961	3.6
287.18011	3.4
293.18872	2.9
295.20407	2.6
299.05923	4.5
307.16888	10.9
307.20300	2.9
319.20816	2.9
325.18204	4.2
335.20166	3.1
337.21640	4.6
349.21674	3.1
353.20840	2.9
355.06973	6.0
355.22726	21.8
391.22360	3.6
409.23825	3.2
419.21906	4.0
427.24823	7.8
432.57632	2.5
433.19846	4.8
433.63684	2.3
437.23352	7.8
451.20978	10.3
455.24249	77.3
456.24484	9.1
456.30331	2.9
457.22150	2.8
471.27509	25.2
473.18774	4.9
473.25323	73.2
474.25690	6.6
489.19128	3.1
493.68811	2.8
497.25287	22.8
498.25568	4.0
507.20087	5.0
515.18768	4.7
515.26398	100.0
516.26758	10.8
525.21094	5.8
531.29596	6.4
533.27319	5.4
543.22009	3.6
557.27472	3.5
558.27838	3.5
561.23645	2.7
575.28156	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.7
60.26233	1.3
66.48361	1.3
67.05515	7.2
67.76024	1.3
69.07066	4.8
73.04743	3.7
79.05495	4.0
81.07054	12.4
83.08589	1.6
89.37505	1.1
91.05460	4.9
91.05909	2.5
93.07038	6.8
95.08604	12.1
105.07025	21.4
107.08602	7.9
109.10156	12.5
117.07001	2.0
119.08588	22.8
121.10117	7.9
123.11699	4.5
129.43660	1.4
131.08574	3.0
133.10126	12.8
135.11667	1.7
145.10149	4.4
147.11679	20.2
148.12306	1.3
149.13214	1.7
159.11681	1.5
161.13243	14.2
167.05768	2.1
167.07062	10.7
175.14792	2.5
188.08331	1.5
189.16360	5.5
193.08629	1.8
194.59497	1.6
203.17941	100.0
204.18649	16.3
221.11700	2.2
235.13286	8.5
237.14861	3.1
284.80917	1.3
285.01035	3.5
299.06131	3.7
355.06894	6.3
565.35205	4.9
605.20734	1.4
610.26880	2.4
616.12079	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.9
53.03964	1.3
55.01883	0.9
56.96568	1.2
58.41658	0.8
65.03931	1.8
67.05507	2.1
68.99800	5.0
69.03422	1.0
70.65710	0.8
71.28152	1.2
73.04753	2.2
77.03947	2.1
81.03426	1.6
91.05402	5.5
95.01352	1.0
95.04948	3.7
100.05526	0.8
103.05471	1.5
103.21424	0.8
105.03373	3.8
107.04990	1.9
110.03722	0.7
111.00816	3.2
111.04459	3.0
115.05446	1.6
119.04939	14.9
121.02856	4.5
123.04429	100.0
124.04711	1.7
125.02389	1.1
127.03908	11.8
128.04247	1.0
131.04961	3.0
135.04425	9.4
137.02367	3.8
137.06003	1.1
139.03905	10.6
143.00159	1.4
143.03415	0.9
147.04405	42.4
148.04765	1.5
149.02393	2.8
149.05992	1.2
150.03151	2.3
151.03935	4.4
152.04654	2.5
153.01807	1.2
155.03404	3.4
155.04816	0.9
159.04396	1.2
160.07579	1.6
161.01198	1.1
161.06032	2.6
162.03133	1.0
162.05490	0.9
163.03912	12.4
164.04488	0.8
165.01831	3.5
165.05476	12.1
165.06816	0.9
167.03421	2.2
167.05571	1.5
171.04396	1.0
173.06007	2.3
175.03886	3.9
176.04655	1.7
177.01801	3.9
177.05519	2.4
177.10229	0.8
178.02571	0.8
179.03438	7.1
181.04977	1.0
183.04427	1.1
185.06070	1.2
187.03905	5.1
189.01945	1.0
189.05486	2.9
190.02696	1.1
191.03358	7.0
193.01651	0.8
193.04973	3.7
195.02904	3.1
197.06015	1.3
199.03851	1.0
201.05481	4.3
203.03389	12.0
205.01401	3.4
205.05096	1.9
213.05504	1.7
215.03452	3.1
217.05025	3.1
221.04512	2.6
223.02367	21.7
224.02780	1.1
229.01443	1.4
229.04959	7.5
231.02908	15.1
231.06432	1.4
232.03653	2.2
233.04427	3.8
235.02393	2.4
237.05730	1.1
239.02324	0.9
239.09567	1.3
241.05093	1.2
243.02975	2.1
245.04475	7.7
247.02376	1.7
247.03389	1.1
247.06024	12.1
247.08318	1.2
249.03941	1.3
253.04951	1.0
255.02950	0.9
257.04465	8.2
258.05267	3.2
259.02438	2.1
259.06003	2.1
260.03189	2.1
261.03940	8.6
269.04486	2.8
270.05164	1.2
271.02716	1.1
271.05997	11.7
272.06741	1.3
273.03958	8.1
274.04678	1.2
275.05667	3.5
276.06339	1.0
277.03497	3.4
279.05353	0.9
281.04395	1.3
282.05176	0.9
283.06091	2.9
284.06958	1.4
285.01147	1.5
285.04004	7.0
285.06998	1.3
286.04739	2.5
287.02380	1.4
287.05460	10.8
288.06122	1.3
289.03476	9.6
289.07053	2.5
290.04160	8.2
291.04932	3.3
299.05502	4.5
300.06241	1.5
301.03592	1.8
301.06970	0.9
303.05029	3.3
304.05780	3.0
310.04813	1.1
311.05539	3.6
312.06131	1.0
315.04831	0.9
347.05780	1.1
355.07309	1.6
356.07324	2.3
361.06998	1.1
365.06479	1.0
379.08582	1.1
389.06387	1.3
391.08145	3.5
401.06372	1.1
405.05759	1.0
407.07764	1.7
408.08368	3.5
409.09116	5.0
412.08084	4.1
419.07721	2.3
425.08817	2.6
427.10272	1.2
441.08243	1.8
505.10324	2.7
523.10773	1.2
559.12915	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1392
Annotation	56343-26-1
Peak:m/z	Relative Intensity
50.01597	0.7
51.02373	1.5
53.03943	1.2
55.01869	2.1
65.03940	2.0
67.05493	1.9
68.99795	7.6
69.03435	1.3
71.30685	1.3
73.04765	1.3
77.03927	2.1
81.03415	0.9
85.02905	1.4
91.05424	5.2
93.03407	1.0
95.04967	3.3
97.02885	1.5
103.05468	0.9
105.03384	3.1
107.04979	1.5
109.02873	0.9
110.03634	0.8
111.00815	2.3
111.04446	2.6
119.04951	10.8
121.02882	5.4
123.04430	100.0
124.04779	1.7
125.02345	1.8
127.03913	6.4
129.07043	0.8
131.04929	1.7
133.02803	1.1
133.06413	0.8
135.04420	6.4
137.02382	3.7
137.06007	2.0
139.03900	51.5
140.04216	1.3
143.03409	1.0
144.08073	8.5
145.06525	1.1
145.08430	1.9
147.04408	28.8
148.04733	0.9
149.02364	1.4
149.06009	1.1
150.03113	2.9
151.03915	10.3
152.04794	3.5
153.01810	3.4
153.05455	1.0
155.03384	2.1
155.04848	1.0
159.04477	1.6
161.02319	0.7
161.06004	1.4
161.10751	0.8
162.03128	1.2
163.03918	12.0
165.01831	2.9
165.05482	11.6
166.05907	1.0
167.03236	1.1
169.06425	1.2
169.87698	0.6
173.05962	1.9
175.03888	3.4
176.04654	1.2
177.01851	3.0
177.05458	2.7
178.02608	0.7
179.03409	12.5
181.04962	1.2
181.06526	1.0
183.04370	1.3
185.05959	1.6
187.03899	3.7
189.01845	1.4
189.05479	2.4
191.03435	7.1
193.04974	3.1
195.02841	2.4
197.05994	2.1
201.05452	4.5
203.03395	14.3
203.07083	0.7
204.03864	0.9
205.01344	2.7
205.04951	6.0
207.03009	1.3
207.84566	0.7
208.59120	0.8
209.04427	0.8
213.05479	2.7
215.03380	4.0
215.07056	1.1
217.04959	3.5
219.02870	1.9
219.06465	1.5
221.04436	1.9
223.02362	22.5
225.05463	0.9
227.03084	0.8
229.01396	0.9
229.04953	8.5
230.05618	0.9
231.02873	15.0
231.06573	1.9
232.03667	3.3
233.04448	3.4
235.02542	2.5
237.05591	1.0
243.02834	2.4
243.06660	1.2
245.04436	6.8
246.04845	1.2
247.02386	2.1
247.06006	11.4
248.03242	0.8
249.03854	1.2
253.04973	2.3
255.06532	1.2
257.04419	12.1
258.05151	2.7
259.02316	2.1
259.05994	2.1
260.03128	1.3
261.03906	9.1
262.04590	1.1
263.05505	1.4
265.05084	0.8
269.04413	2.2
270.04883	0.8
271.06018	7.5
273.03925	8.9
273.07120	1.3
274.04541	1.2
275.05396	4.5
276.06085	0.9
277.03473	4.5
279.04700	1.0
281.04517	1.5
283.06012	1.6
285.03952	4.8
285.06760	1.0
286.04727	3.5
287.05466	12.3
288.05887	2.0
289.03455	7.9
289.06781	1.6
290.04135	2.4
291.04898	2.0
291.08466	0.9
293.04306	1.1
295.06107	1.0
299.05499	8.0
301.03412	2.0
301.07043	3.2
302.04291	1.0
302.07452	2.0
303.04956	44.9
304.05591	6.1
311.05536	2.8
315.05011	2.4
317.06561	21.4
318.06949	0.9
319.04807	1.0
327.05261	0.9
335.05344	1.1
349.06982	1.5
379.08408	0.8
395.07251	0.9
407.07526	1.5
408.08395	1.8
409.09406	2.4
412.07907	3.1
419.07687	1.0
423.07126	1.6
425.08423	3.7
435.06351	1.0
436.07501	1.0
441.08173	7.3
443.09534	0.9
451.10028	2.5
453.08118	1.6
457.77936	0.8
459.09586	1.1
576.81927	0.9
634.39911	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1393
Annotation	Prodelphinidin B5
Peak:m/z	Relative Intensity
53.00307	1.3
53.03928	0.5
55.01890	1.7
65.03935	1.4
67.05544	0.7
68.99782	6.1
69.00066	0.5
69.35207	1.1
69.35618	2.3
81.03427	2.6
91.05496	0.6
95.04980	1.5
99.04441	1.1
105.03400	1.4
107.04972	1.3
109.02885	4.1
111.00806	5.9
111.04454	2.0
119.04990	0.8
121.02880	2.0
123.04436	10.7
127.03918	100.0
128.04266	1.9
131.04967	1.1
133.02852	2.7
135.04414	2.9
137.05948	0.8
139.03902	95.2
140.04268	2.5
147.04396	6.6
149.02361	2.4
150.46700	0.6
151.03911	27.8
151.39760	0.6
152.04320	0.8
153.01842	1.1
155.03398	1.4
157.06499	0.7
159.04456	1.5
161.05980	1.6
163.02666	1.0
163.03912	9.0
165.05481	2.3
167.03438	3.9
169.04948	2.0
169.06364	0.6
171.04385	1.6
173.05994	1.1
175.03912	12.0
176.04240	0.7
177.05515	3.5
179.03394	33.8
180.03732	1.4
181.04996	5.1
185.05975	1.8
187.03978	0.8
189.05473	3.0
191.01788	0.9
191.03395	9.9
193.04993	3.4
197.05760	0.8
199.03920	2.4
201.05507	4.1
203.03391	16.3
205.04959	2.2
213.05421	4.8
215.03325	1.1
217.04932	4.0
219.06483	1.3
223.02309	0.6
225.05385	0.8
229.04930	5.7
231.06499	2.9
233.04477	5.1
241.04907	2.5
243.06511	0.9
245.04445	10.4
247.06029	1.0
251.05551	0.9
253.04816	0.9
257.04462	13.6
258.05032	1.3
259.05969	2.5
263.05499	15.9
269.04367	3.1
271.06021	2.2
275.05502	19.3
276.05682	1.0
287.05502	38.7
288.05783	2.1
289.07031	2.3
299.05499	15.4
300.05902	1.2
301.07214	0.8
303.04959	1.2
305.03378	0.7
305.06555	9.6
307.08167	7.2
308.08432	0.8
311.05368	1.0
313.06976	0.8
317.06555	19.1
318.06699	0.9
319.08182	0.9
326.94614	0.6
407.07526	2.0
416.11746	0.7
425.08682	19.9
426.08838	1.6
443.09753	9.7
621.23291	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1602
Annotation	Isorhamnetin 3-apiosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
51.43529	0.5
57.03434	4.2
58.64697	0.5
61.02926	3.1
67.05495	1.1
69.03432	4.1
69.12206	4.8
71.04987	1.7
73.02918	6.0
73.04762	0.8
79.05496	0.9
79.46542	0.6
81.07001	1.1
82.07349	0.5
85.02898	7.7
86.01569	0.5
91.03968	1.0
91.05532	0.7
92.02587	0.8
93.03414	1.3
93.07048	1.1
95.04949	0.7
95.08572	0.8
97.02901	5.2
97.06518	0.7
99.04473	0.6
105.07041	1.5
107.04964	0.6
107.08628	0.6
109.02868	1.1
109.10145	1.0
115.03928	1.8
119.08559	0.6
121.02859	1.1
121.10114	0.8
126.05714	0.5
127.03903	1.5
131.08629	0.7
133.04951	0.8
133.10104	1.4
137.05983	0.8
139.03905	1.2
145.04950	1.4
145.10059	0.8
151.03906	1.9
153.01837	8.9
161.05997	0.6
163.03957	0.6
165.01831	1.0
180.06360	0.6
185.44688	0.6
188.15204	0.7
189.16338	0.7
201.05447	1.2
203.03207	0.6
215.14197	0.6
217.05025	1.4
220.69356	0.6
228.04231	1.6
229.04950	3.4
233.15410	1.1
234.15746	1.5
245.04520	0.9
246.05214	1.9
247.05923	0.6
257.04373	1.9
267.09286	0.6
273.03940	1.9
274.04688	5.3
284.03198	0.9
285.03897	2.6
287.05597	3.0
301.03400	0.7
302.04184	12.4
303.04947	12.1
317.06537	100.0
318.06882	7.4
329.06537	3.4
341.06497	1.0
355.08072	1.3
359.07477	4.1
383.07281	2.6
395.07419	0.6
396.07193	0.6
413.08508	0.9
443.09616	0.9
461.10507	1.1
476.90881	0.6
479.11673	2.3
633.49622	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1605
Annotation	3,7,2',3',4'-Pentahydroxyflavone 3-neohesperidoside
Peak:m/z	Relative Intensity
54.82818	0.9
57.03427	2.3
65.40596	1.0
66.69537	0.8
69.03479	1.1
70.67963	2.3
71.04994	14.2
72.65244	0.7
73.02911	12.3
83.04979	3.4
85.02901	19.7
99.04467	2.9
109.02920	0.9
111.04494	1.2
113.89786	0.8
127.03919	8.1
129.05479	4.7
137.02336	2.9
137.05981	1.3
145.04881	1.2
147.06543	1.9
153.01865	2.7
165.01825	1.2
201.05571	1.3
227.09392	0.9
229.04996	3.0
257.04578	1.9
285.03998	1.9
287.05548	2.0
303.04971	100.0
304.05365	5.7
315.05014	3.8
345.06244	1.4
411.07132	2.5
429.08026	2.0
447.09238	3.6
465.10172	3.1
513.98566	1.0
611.21149	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
57.03444	3.0
60.43368	0.4
61.02925	1.0
65.03952	0.6
65.76882	0.3
68.99783	0.6
69.03426	1.0
70.47490	0.7
71.04994	13.7
73.02925	0.5
75.04486	0.5
81.03400	0.5
83.04965	0.9
85.02906	17.2
91.03976	0.5
97.02883	1.2
99.04467	0.4
105.44521	0.4
111.00818	0.7
121.02854	0.9
127.03922	0.7
129.05469	4.5
136.15297	0.3
137.02342	3.5
145.04926	0.9
147.06500	1.3
149.02339	0.5
153.01816	3.6
163.03949	0.6
165.01828	2.0
183.02899	0.5
201.05463	1.9
229.04915	4.2
247.05968	1.0
257.04456	2.5
274.04678	0.5
285.03973	1.3
303.04980	100.0
304.05344	6.2
321.33652	0.4
345.05945	0.7
449.10938	0.5
465.10382	0.7
573.46021	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1602
Annotation	Rutine
Peak:m/z	Relative Intensity
51.52799	0.3
55.05492	0.3
57.03435	2.2
58.75946	0.3
61.02914	1.2
65.03963	0.3
67.17050	0.3
67.88032	0.3
68.99769	0.4
69.03403	0.6
69.51778	0.5
69.52184	1.2
71.04993	11.3
73.02895	0.4
75.04479	0.6
76.68330	0.3
81.03410	0.4
83.04975	0.5
85.02906	13.1
87.04448	0.4
91.03946	0.6
97.02903	0.8
109.02823	0.4
111.00826	0.7
111.04451	0.3
121.02860	0.8
127.03936	0.6
129.05493	2.9
135.04437	0.3
137.02350	2.4
145.04953	0.5
147.06537	1.0
149.02455	0.3
153.01817	3.1
165.01836	1.4
173.05945	0.5
182.79163	0.3
183.02872	0.9
183.04327	0.4
187.04005	0.3
201.05486	1.1
205.04851	0.3
229.04950	3.8
247.06097	0.7
257.04413	2.4
285.03842	1.1
303.04977	100.0
304.05322	6.2
315.04898	0.6
345.06143	0.5
465.09976	0.5
466.10095	0.3
518.54889	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79487	0.2
55.05517	0.3
57.03444	1.9
61.02921	1.0
61.15415	0.2
65.03935	0.3
68.99792	0.6
69.03414	0.8
69.41173	0.7
69.41601	0.7
71.04995	10.2
73.02895	0.6
73.04733	0.2
73.43057	0.2
75.04471	0.5
81.03406	0.4
82.10973	0.2
83.04966	0.6
85.02905	13.7
91.00891	0.2
91.03945	0.9
93.03408	0.4
97.02896	1.3
98.23327	0.3
99.49550	0.2
101.58154	0.2
109.02872	0.6
111.00796	0.8
111.04414	0.5
121.02859	1.3
123.04414	0.5
127.03925	0.8
129.05464	3.5
137.02345	2.8
143.18614	0.2
145.04950	0.8
147.06526	0.9
149.02347	0.3
153.01826	3.5
161.05931	0.5
163.03880	0.6
165.01863	2.0
173.05968	0.4
179.03343	0.2
183.02888	0.9
183.04347	0.3
184.49509	0.2
191.03323	0.2
195.02861	0.3
201.05486	1.6
202.05914	0.3
215.03471	0.2
219.06689	0.3
229.04935	3.3
247.06017	0.7
257.04407	2.5
274.04758	0.5
275.05353	0.3
285.03903	1.1
287.05508	0.5
303.04980	100.0
304.05322	6.1
307.31927	0.2
315.04904	0.7
315.08606	0.2
341.51135	0.3
345.05945	0.7
369.06024	0.5
410.15942	0.3
429.07901	0.3
447.09073	0.3
449.10696	0.4
465.10266	1.0
603.61438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76070	2.2
53.03944	3.0
55.01860	2.2
55.05515	94.7
67.05493	8.1
71.05008	3.5
73.04756	5.5
79.05486	3.7
81.03407	4.4
81.07050	9.7
83.04979	100.0
84.05335	2.4
85.40745	2.3
91.05400	3.5
91.05839	5.3
93.07047	7.9
95.04984	2.9
95.08019	2.3
95.08586	5.9
98.23460	5.4
98.25520	2.4
105.07029	5.7
107.04886	2.3
107.08587	6.2
109.10144	5.2
111.04442	2.4
119.08580	7.1
120.42309	2.6
121.10151	6.3
129.35484	2.7
133.10129	5.0
145.10109	5.9
147.08034	2.8
157.10104	6.2
159.11682	4.7
183.11650	3.0
209.13304	2.9
211.11407	3.2
225.05478	3.4
243.06551	4.9
249.05528	2.6
251.06944	4.9
252.07799	2.9
263.06955	6.4
265.04996	4.9
265.08658	6.1
266.05832	3.9
267.06552	2.6
279.06409	8.7
283.06219	2.5
293.04440	5.2
293.07922	6.3
294.05194	4.6
295.06210	4.4
295.09821	3.9
299.05612	2.8
307.05920	5.4
308.06604	4.2
308.43634	2.9
309.07541	9.7
311.05518	3.8
313.07050	11.7
319.06036	3.7
320.06741	3.2
323.05606	3.7
323.08823	11.8
325.06955	3.0
325.10483	3.5
334.08194	4.4
335.05426	4.1
337.10648	3.5
339.08572	7.8
340.09357	4.8
341.10358	4.6
350.07718	3.4
351.08658	9.0
352.09283	3.1
353.10248	5.8
356.06909	4.4
365.10391	5.1
369.09366	4.1
381.09586	4.5
383.11221	7.3
393.09338	7.4
411.10892	5.3
483.16214	4.1
527.39117	3.5
575.35065	3.0
611.37073	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76070	2.2
53.03944	3.0
55.01860	2.2
55.05515	94.7
67.05493	8.1
71.05008	3.5
73.04756	5.5
79.05486	3.7
81.03407	4.4
81.07050	9.7
83.04979	100.0
84.05335	2.4
85.40745	2.3
91.05400	3.5
91.05839	5.3
93.07047	7.9
95.04984	2.9
95.08019	2.3
95.08586	5.9
98.23460	5.4
98.25520	2.4
105.07029	5.7
107.04886	2.3
107.08587	6.2
109.10144	5.2
111.04442	2.4
119.08580	7.1
120.42309	2.6
121.10151	6.3
129.35484	2.7
133.10129	5.0
145.10109	5.9
147.08034	2.8
157.10104	6.2
159.11682	4.7
183.11650	3.0
209.13304	2.9
211.11407	3.2
225.05478	3.4
243.06551	4.9
249.05528	2.6
251.06944	4.9
252.07799	2.9
263.06955	6.4
265.04996	4.9
265.08658	6.1
266.05832	3.9
267.06552	2.6
279.06409	8.7
283.06219	2.5
293.04440	5.2
293.07922	6.3
294.05194	4.6
295.06210	4.4
295.09821	3.9
299.05612	2.8
307.05920	5.4
308.06604	4.2
308.43634	2.9
309.07541	9.7
311.05518	3.8
313.07050	11.7
319.06036	3.7
320.06741	3.2
323.05606	3.7
323.08823	11.8
325.06955	3.0
325.10483	3.5
334.08194	4.4
335.05426	4.1
337.10648	3.5
339.08572	7.8
340.09357	4.8
341.10358	4.6
350.07718	3.4
351.08658	9.0
352.09283	3.1
353.10248	5.8
356.06909	4.4
365.10391	5.1
369.09366	4.1
381.09586	4.5
383.11221	7.3
393.09338	7.4
411.10892	5.3
483.16214	4.1
527.39117	3.5
575.35065	3.0
611.37073	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38204	2.2
51.79498	2.2
53.03952	3.7
55.05513	91.6
62.49992	2.3
65.03938	3.0
69.30592	2.0
70.21131	5.9
71.05008	14.5
73.04768	5.2
76.19818	2.2
79.05524	2.3
81.07059	3.4
83.04983	100.0
91.05846	5.3
96.51025	1.9
99.04459	6.7
109.06532	2.9
137.05966	6.0
143.62619	2.0
149.02351	38.2
149.03441	2.8
151.07439	2.4
165.07008	2.8
179.08640	3.9
189.06927	2.3
193.04990	30.5
205.06424	3.0
206.07179	2.7
211.07584	2.5
212.04681	2.7
223.07507	3.1
227.07037	2.5
234.06711	3.9
235.07581	4.8
237.07539	10.6
239.07072	3.2
240.04193	2.7
247.07631	2.1
249.05573	3.3
249.09056	3.6
251.07066	5.3
253.04976	2.6
261.05536	2.0
261.09192	3.2
263.07056	5.4
264.07666	2.3
265.04974	3.5
265.08505	6.8
266.05655	2.5
269.04434	12.4
269.08115	3.7
276.07947	3.2
277.08475	4.8
278.05682	3.6
278.08951	2.9
279.06476	7.6
279.10117	4.6
280.06934	2.7
281.04904	2.5
281.08038	3.6
283.06027	3.3
285.00906	3.3
290.05905	4.1
291.06473	7.8
292.07150	11.5
293.04489	3.6
293.08060	8.3
294.05408	3.0
294.08719	2.3
295.06116	5.7
296.06735	2.4
297.03882	5.9
299.06042	2.8
301.07022	7.3
303.06366	3.3
305.08093	6.2
306.08771	3.6
307.06216	4.3
307.09644	11.9
309.07645	5.3
309.11084	2.8
310.08417	5.5
311.05548	4.9
312.06079	5.8
313.07092	12.3
319.05957	6.7
320.06613	5.2
321.07538	14.3
323.05539	3.3
323.08972	4.7
324.06155	3.1
325.10858	2.7
333.07565	6.4
334.08438	7.3
335.05624	3.9
335.09094	14.8
336.09839	9.1
337.07028	3.5
337.10745	5.7
339.08661	21.3
341.10266	3.1
347.05429	3.8
349.06879	5.2
350.07913	5.0
351.08698	2.9
352.09460	4.5
353.10336	12.2
355.07291	3.4
356.07037	4.7
363.08664	6.3
364.09280	9.1
365.10208	24.6
367.11743	16.5
368.12155	3.1
377.10162	18.1
381.09888	3.1
383.11215	7.5
385.09378	7.4
395.11230	22.8
429.12198	3.0
435.17917	7.5
495.20444	4.0
577.13196	8.4
595.25256	5.2
611.25006	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.8
56.96567	23.9
61.23212	1.9
69.03424	14.8
70.19193	4.0
70.19569	6.1
73.04755	7.2
77.37989	1.9
80.50463	1.9
81.07055	4.2
83.04963	2.6
91.05878	10.9
93.07081	2.4
95.08581	2.8
96.06791	1.9
98.22713	2.2
102.19315	1.9
105.07024	3.8
107.08609	3.4
119.08563	2.4
131.08557	3.9
137.06009	2.9
139.07564	8.7
143.08496	4.0
145.10176	3.5
151.07587	2.3
155.08553	2.3
167.05656	2.9
167.07124	2.7
175.02876	3.3
175.10974	2.3
193.10037	2.2
197.04965	2.2
215.05966	2.9
239.09567	3.1
260.15271	2.3
261.08112	3.8
277.07526	2.4
285.00836	2.9
299.09503	2.3
301.11099	4.1
303.04898	3.7
317.10574	2.3
323.13168	2.9
337.14758	2.7
341.14359	2.3
349.14777	5.7
355.06879	5.7
356.07245	7.0
367.11664	2.9
367.15811	6.3
381.13666	5.7
383.15442	2.2
393.13693	6.6
399.14615	2.5
411.14615	5.4
417.16116	3.2
422.20325	2.9
422.65549	2.8
429.15875	5.8
439.24756	23.8
453.26669	4.0
471.21600	4.1
479.24146	2.8
489.23154	2.8
497.25195	2.7
498.22070	4.1
515.21045	2.9
533.21326	5.0
551.23163	100.0
552.23340	11.5
569.24133	31.9
592.25610	7.0
611.25482	24.2
612.25208	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00695	0.1
51.86219	0.1
55.01875	0.2
55.05500	0.6
57.07053	0.2
63.38800	0.1
67.05513	1.4
67.19510	0.1
69.03420	0.3
69.07059	0.6
70.55244	0.3
70.55614	0.3
72.59129	0.1
79.05493	1.1
81.07058	1.6
83.04975	0.2
83.08601	0.3
85.02908	0.5
91.05475	1.0
93.07051	1.0
95.08601	1.2
98.22797	0.2
99.08116	0.2
105.07021	1.0
107.08587	0.8
109.10131	0.4
115.05472	0.2
117.07011	0.5
117.40092	0.1
119.08602	1.0
119.67132	0.1
121.10150	0.3
123.11745	0.2
129.07013	0.3
131.08585	0.9
133.10138	0.5
135.11696	0.2
141.05467	0.3
141.06949	0.2
143.08557	0.6
145.06552	0.2
145.10135	0.8
147.11688	0.3
153.05493	0.3
153.07004	0.3
154.07790	0.2
155.08612	0.4
157.10091	0.3
158.07228	0.3
159.08029	0.7
159.11700	0.5
161.13222	0.3
165.07016	0.6
166.07718	0.2
167.07022	0.2
167.08531	0.3
168.05794	0.2
169.06532	0.1
169.10159	0.4
171.08101	0.2
171.11670	0.3
173.09624	0.9
173.13295	0.2
175.07628	0.2
178.07776	0.3
179.08530	0.6
181.06508	0.6
181.10103	0.5
182.07327	0.4
183.08034	0.5
185.05989	0.1
185.13216	0.2
187.07535	0.3
189.06918	0.2
190.07845	0.3
191.08421	0.7
192.09320	0.7
193.06393	0.2
193.10117	0.5
194.07321	0.3
195.08105	0.8
195.11679	0.2
196.05188	0.4
196.08774	0.3
197.05943	0.5
197.09587	0.4
197.13245	0.2
198.06732	0.3
199.07610	0.3
201.09114	1.7
201.16359	0.2
202.07883	0.4
202.09862	2.7
203.08572	0.3
203.10321	0.2
204.09351	0.2
205.06468	0.5
205.10237	0.3
206.07314	0.4
206.10983	0.2
207.08090	0.6
207.11604	0.7
208.08858	0.3
209.05978	0.3
209.09612	1.8
210.06731	1.8
210.10234	0.4
211.07516	1.4
211.11119	0.2
212.08315	0.4
213.05449	0.7
214.06111	0.2
215.06906	0.2
217.10222	0.2
218.07291	0.2
219.08052	1.7
220.08830	2.3
221.06085	0.3
221.09619	1.8
222.06720	0.6
222.10336	0.5
223.07651	0.9
223.11203	0.5
224.04686	0.3
224.08310	0.8
224.11807	0.3
225.05467	0.5
225.09030	1.1
225.12671	0.2
226.06261	0.6
226.09840	0.6
227.07031	1.0
227.10565	0.2
228.07758	0.5
231.08092	0.6
232.08873	0.3
233.05978	0.6
233.09616	1.1
234.06779	1.4
234.10339	0.8
235.07590	1.3
235.11148	3.8
236.08302	0.6
236.11780	0.7
237.05460	0.3
237.09084	4.9
237.12805	0.6
238.06335	1.1
238.09773	1.1
239.07021	1.5
239.10641	1.0
240.07814	1.2
241.04919	1.1
241.08565	0.5
242.05646	0.5
243.06589	0.4
245.09613	0.6
246.10349	0.2
247.07529	1.5
247.11227	0.3
248.08328	4.1
249.09116	6.4
250.06345	0.7
250.09833	1.4
251.07034	1.3
251.10649	2.9
252.07710	0.5
252.11432	3.2
253.04807	0.2
253.08611	1.3
253.12105	0.8
254.09364	2.1
255.06525	0.6
255.10159	0.6
256.07321	2.3
257.04434	0.2
257.08069	1.0
258.08765	0.4
259.20575	0.3
261.06183	0.2
261.09076	1.9
262.06155	0.2
262.09882	1.1
263.07135	0.9
263.10648	8.1
264.07846	0.6
264.11401	3.0
265.08609	11.8
265.12112	1.4
266.06128	0.3
266.09286	2.6
266.12936	1.1
267.06580	1.2
267.10135	1.1
267.13803	2.0
268.07288	0.4
268.10757	0.3
269.04413	0.4
269.08145	0.3
269.11710	1.0
270.08929	0.5
271.09631	2.0
272.06931	0.2
273.07529	0.2
275.10690	0.2
276.07849	0.6
277.08603	12.8
277.11807	0.6
278.09244	3.2
279.06610	0.9
279.10159	4.0
279.13251	0.2
280.10928	10.4
281.08240	0.4
281.11627	4.3
282.08850	2.0
282.12231	0.4
283.09439	0.7
283.13031	0.1
284.06760	1.2
284.10071	0.3
285.07547	1.1
285.11240	0.5
286.08298	0.2
287.09125	0.5
288.09576	0.2
290.09332	0.3
291.10117	2.7
292.07614	0.1
292.10904	2.2
293.08081	4.3
293.11688	3.3
294.08792	2.9
294.12479	1.8
295.06296	0.2
295.09711	1.5
295.13245	11.2
296.10397	0.2
296.13812	2.0
297.07941	0.3
297.11221	3.1
297.14560	0.3
298.08215	0.2
298.11676	0.5
299.09158	2.2
300.09726	0.8
301.10556	0.2
302.07935	0.3
303.08536	0.3
305.11700	0.3
306.12482	0.2
307.09689	1.6
307.13077	0.3
308.10461	2.6
308.13843	0.2
309.11197	13.0
310.08270	0.6
310.11813	1.8
311.09119	0.6
311.12695	0.4
312.13507	1.0
313.10693	0.7
313.13940	0.3
314.11505	0.3
317.10034	0.8
321.11072	0.2
322.11884	0.7
323.12750	10.1
324.13507	9.9
325.10681	4.2
325.14285	2.2
326.11264	0.5
327.15863	1.4
331.11737	0.3
333.24136	0.2
339.12231	0.4
339.16043	0.3
340.13065	4.3
341.13632	1.3
345.13171	0.3
353.13824	0.5
355.15381	100.0
356.15936	16.4
357.12790	0.2
357.16608	0.5
359.14764	0.2
372.15714	0.5
385.16623	0.8
387.17981	3.7
388.18320	0.4
593.35089	0.2
593.45215	0.3
611.36505	0.3
611.46588	2.1
612.46497	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	0.6
53.03936	3.5
53.55400	0.6
54.16182	0.5
55.01865	2.9
55.05513	18.9
57.03438	6.4
57.07075	3.8
65.03923	2.9
66.66796	0.6
66.82542	0.6
67.05505	49.9
69.03442	1.0
69.07069	17.9
71.04997	2.0
71.08640	0.7
73.04753	0.6
77.03908	1.1
79.05492	40.1
80.05814	0.9
81.03415	1.9
81.07056	49.3
82.07397	1.3
83.04987	1.5
83.08618	9.1
85.06557	1.8
91.05479	36.0
93.07041	40.0
94.07331	1.1
95.04973	4.2
95.08602	38.8
97.06535	3.2
97.10152	4.4
98.23376	2.0
99.08108	1.9
103.05464	1.6
105.04565	1.1
105.07027	34.8
106.07327	0.9
107.08589	23.7
109.06494	1.3
109.10149	16.7
110.10498	0.9
111.08106	1.7
115.05479	2.5
116.06238	1.3
117.07017	15.3
119.08580	30.4
120.08932	1.3
121.10146	16.9
123.08082	2.0
123.11720	5.1
125.09620	0.9
128.06236	2.6
129.07008	11.7
130.07753	1.3
131.08566	24.9
132.05800	0.7
132.08844	1.0
133.10121	22.3
134.10492	0.8
135.08113	1.2
135.11684	11.1
137.13261	2.0
139.11256	0.7
141.06975	3.4
142.07802	2.7
143.08563	16.8
143.09663	1.0
144.09261	1.3
145.10118	24.0
146.10573	0.7
147.11678	18.9
148.11993	1.3
149.09634	1.2
149.13274	8.1
154.07768	0.8
155.08568	6.5
156.09366	1.8
156.95375	0.7
157.10132	13.4
158.10745	0.8
159.11681	16.7
160.12082	0.8
161.09648	1.1
161.13257	13.3
163.11156	1.4
163.14804	3.5
165.12703	0.9
167.08586	1.8
168.09335	0.9
169.10098	8.5
170.10803	1.1
171.11673	13.9
171.13066	0.9
172.12018	0.7
173.13260	11.4
175.11198	0.9
175.14844	7.1
177.12744	1.0
177.16412	1.5
179.08528	1.1
181.10114	3.9
182.10924	0.8
183.11682	7.9
184.12369	1.1
185.13237	9.9
186.13803	0.7
187.14839	7.5
189.12697	0.8
189.16463	2.0
195.11769	2.6
197.13240	5.1
198.13672	1.0
199.14793	6.8
201.16371	5.0
203.17944	1.6
209.13197	3.0
211.14839	3.1
213.16388	4.5
215.17995	3.2
217.19502	1.3
219.17618	0.8
223.14864	1.8
225.16393	2.9
227.17992	2.3
229.19588	1.4
231.17513	0.9
231.21111	2.3
237.16422	1.1
239.18019	2.4
241.19582	7.7
243.21143	2.1
251.17990	0.9
253.19713	0.9
255.21291	0.8
257.18988	3.7
259.20563	19.0
260.20969	1.7
261.22086	4.3
267.16046	0.9
267.21286	0.7
271.20483	0.9
275.19891	0.8
277.21747	1.3
283.20389	0.8
285.22226	1.0
297.22186	0.9
299.24002	0.9
301.21835	0.7
309.25491	0.7
311.23718	1.1
315.23328	2.1
317.24878	0.8
323.23764	0.7
325.25253	1.2
327.26944	0.8
331.22763	1.3
333.24164	8.7
335.25821	18.1
336.26395	1.3
337.27902	1.5
339.26801	1.3
353.28387	1.2
365.28140	0.9
367.26074	0.8
371.29614	0.7
377.28192	0.7
386.28055	0.7
395.29303	0.9
395.74557	0.6
405.31927	0.8
435.32410	1.4
501.34927	1.5
501.41431	1.2
503.37225	0.8
519.42072	6.9
520.42310	1.0
527.37402	0.9
529.39575	1.0
537.42859	4.5
541.38837	1.2
551.25848	1.0
555.42780	0.7
593.45819	7.5
594.46069	0.9
611.28662	2.5
611.46667	100.0
612.46924	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.2
55.01890	1.5
55.05267	1.6
55.05516	18.1
55.37636	0.7
57.03440	6.5
57.07081	3.7
65.03944	2.8
67.05508	46.1
69.07068	16.5
71.04987	1.7
79.05495	31.8
81.07059	47.5
82.07413	1.7
83.04995	2.1
83.08624	9.7
85.06546	2.7
91.05479	33.3
92.05842	1.3
93.07047	37.3
94.07406	0.8
95.04983	4.2
95.08609	38.8
97.06551	2.8
97.10210	3.7
98.23412	2.2
99.08102	1.9
103.05476	1.2
105.04563	1.6
105.07037	33.0
106.07371	1.3
107.08600	22.4
109.06558	2.2
109.10159	17.2
111.08112	1.9
111.11733	0.9
113.09675	0.8
115.05490	2.2
117.07021	11.5
119.08585	27.1
121.10150	19.6
121.11014	1.3
123.08134	1.2
123.11712	5.4
125.09660	1.1
128.06281	1.9
128.74969	0.9
129.05565	1.1
129.07014	10.8
130.07784	2.0
131.08577	21.2
131.09482	1.5
133.10132	20.4
135.11697	13.3
136.11967	0.9
137.09641	1.0
137.13237	0.9
141.06996	2.6
142.07774	1.8
143.08562	12.4
143.09509	1.1
145.10135	22.6
147.11696	20.4
147.12885	1.1
149.13243	7.7
153.12833	1.0
155.08589	4.0
156.09296	1.0
157.10135	12.5
159.11679	16.4
161.13263	13.0
163.11253	1.6
163.14783	4.0
167.08653	1.8
169.10152	7.3
171.11699	12.3
173.13280	12.7
175.11226	1.0
175.14825	7.4
177.16467	1.7
179.14270	1.1
181.08620	2.2
181.10162	2.5
182.09067	1.2
183.11688	7.6
185.13260	8.7
186.14285	0.9
187.11296	0.8
187.14838	6.5
189.16452	2.7
195.11795	2.2
197.13258	5.2
199.13272	1.4
199.14844	7.3
201.16396	4.3
203.14410	0.8
203.18001	3.1
205.19550	1.1
209.13330	2.1
211.14871	3.2
213.16397	4.8
215.18013	2.9
217.15874	0.9
217.19527	1.5
219.03580	0.8
219.17505	1.5
223.14848	1.9
225.16432	2.1
227.17996	2.4
229.19563	1.8
231.21135	2.7
237.16394	0.9
239.18011	2.0
241.19548	10.2
243.21072	1.6
245.18974	0.9
249.15196	0.8
250.97768	0.7
255.21153	0.8
257.19052	4.1
257.22659	0.8
259.20593	21.2
260.20752	1.0
261.22119	5.0
271.20731	1.2
275.20090	0.9
277.21753	1.8
285.21997	1.0
299.23987	1.1
311.23825	1.0
313.25494	1.7
315.23135	1.8
317.24820	1.3
325.25458	1.6
333.24176	12.3
333.27859	0.8
335.25793	17.8
336.26208	2.1
337.27478	2.1
339.27103	1.0
341.28781	1.1
353.28409	1.0
367.30209	1.4
395.33401	0.9
409.30798	0.9
417.75821	0.8
421.30154	0.9
437.33926	0.9
449.34140	1.0
463.35767	0.8
487.34692	1.0
515.37378	0.9
519.41840	6.7
520.42670	1.0
527.37738	1.1
537.42926	3.5
541.38965	2.1
542.40106	1.0
593.45575	7.7
611.46704	100.0
612.47052	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01848	1.3
53.03942	3.1
54.03465	1.4
55.05506	20.9
57.03437	7.0
57.07075	3.3
60.19509	1.2
65.03941	2.9
67.05506	45.1
69.07064	17.8
69.10629	3.2
69.11033	8.7
71.05007	2.7
71.08643	2.0
76.57625	1.4
79.05492	33.8
80.05844	1.7
81.07053	44.4
83.04997	2.2
83.08620	6.8
85.06523	2.8
85.70701	1.2
91.05455	27.3
91.58665	1.3
92.05927	1.6
93.07045	42.8
93.07635	2.5
95.04984	3.4
95.08602	40.3
97.06542	2.8
97.10177	4.3
98.23003	7.3
99.08109	1.4
105.04593	1.7
105.07025	37.1
107.08598	24.0
107.09284	1.9
109.10152	16.3
111.08129	1.7
115.05493	1.6
117.07015	13.8
119.08570	26.0
119.09334	2.0
121.10126	19.0
122.31844	1.4
123.11750	5.8
125.09662	1.5
128.06219	2.8
129.06995	8.4
131.08559	23.5
133.10124	24.5
133.11053	1.9
135.11676	15.0
137.13290	1.6
140.85123	1.3
141.07011	2.9
143.08554	14.3
144.09254	1.6
145.10120	27.5
147.11676	18.9
149.13266	8.5
155.08533	6.9
156.09431	1.9
157.10091	14.2
159.11667	16.7
161.13254	10.6
163.14893	4.3
167.08661	2.1
169.10133	8.2
171.11705	11.6
173.13255	12.5
175.14844	5.9
179.14412	1.8
180.09360	1.6
181.10124	3.5
183.11726	7.7
185.13246	8.5
187.14807	6.9
189.16420	1.9
195.11601	3.1
197.13292	7.1
199.14844	6.7
201.16321	3.0
209.13281	2.8
211.14929	3.6
213.16418	4.7
215.17999	2.4
225.16539	2.1
227.18044	2.7
239.18057	2.4
241.19583	9.5
243.21172	2.1
255.21252	2.0
257.19022	4.8
259.20572	14.2
260.21033	1.7
261.22186	4.0
285.01007	1.5
297.22116	2.3
299.23642	1.4
315.23434	1.5
321.19702	1.4
325.25320	2.0
333.24283	8.4
335.25763	14.7
337.27524	1.7
339.26813	1.8
355.07089	3.1
356.07318	3.9
357.06973	1.6
385.85687	1.4
423.32822	1.9
464.91006	1.6
519.41974	5.5
537.43085	2.5
541.38544	2.0
593.45435	7.5
611.46704	100.0
612.46985	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.0
55.05512	90.1
56.05851	2.3
67.05494	4.1
69.02440	17.0
75.04462	1.8
79.05502	4.2
81.03411	1.8
81.07046	4.2
83.01344	5.4
83.04980	100.0
84.05309	2.1
85.02885	2.1
91.05492	5.4
93.07044	2.5
95.04947	1.9
100.51586	1.7
105.07021	2.7
107.08582	2.5
111.08094	1.9
115.07554	2.1
123.08107	2.6
129.05478	4.5
129.06967	2.1
151.07574	3.1
153.06956	1.8
153.09109	2.1
167.08507	2.4
202.07732	2.1
212.04691	2.4
213.05559	2.8
215.08713	2.4
219.07994	2.4
221.09625	2.5
225.05420	3.1
230.11006	2.0
232.08768	2.6
233.09702	3.3
234.06737	2.8
235.07536	2.2
239.07042	4.2
241.04935	1.7
243.11728	2.1
245.09645	2.7
245.13399	2.2
247.07703	2.5
247.11397	2.0
249.09094	3.1
251.07114	3.0
253.04828	2.2
255.06523	2.3
257.09485	3.1
258.10226	3.0
259.11310	2.8
261.09122	2.6
263.07028	5.0
264.07755	2.4
265.08499	2.6
267.06485	1.9
272.08322	2.2
273.09146	2.3
275.06934	3.5
275.10669	4.0
276.07846	3.1
277.05234	2.7
277.08572	5.9
279.06503	6.1
285.09015	2.4
286.09558	2.8
287.07260	3.5
287.10532	3.4
288.07892	2.2
289.08667	5.0
289.12027	2.8
290.09210	2.5
291.06573	5.1
291.10190	5.9
292.07294	3.5
293.08081	4.6
294.05280	2.2
299.10712	4.8
301.08832	3.9
301.12195	3.4
302.09485	3.2
303.06577	5.3
303.10098	7.7
303.13358	2.4
304.07288	3.0
304.10898	2.0
304.14365	2.1
305.08023	6.8
305.11484	3.4
306.08896	2.9
307.06427	2.1
307.09714	5.5
314.09439	4.0
315.10208	5.3
316.11005	5.7
317.08121	4.9
317.11740	4.8
319.09567	5.5
319.13104	2.3
320.06885	3.6
321.07602	5.2
321.11237	3.5
327.10159	3.5
328.10956	3.8
329.08124	4.2
329.11755	6.7
330.08929	3.7
331.06076	2.9
331.09702	8.4
331.13275	4.0
332.10214	2.7
333.07458	5.0
333.11160	3.0
335.09161	4.0
336.10275	1.7
343.09528	3.6
344.10410	4.1
345.11179	10.9
346.11932	5.1
347.09277	3.8
347.12811	6.3
349.10599	3.0
353.10208	3.1
357.11307	5.3
359.08954	2.8
359.12839	11.3
361.10599	4.0
361.14407	10.8
363.12186	2.8
363.16077	2.2
365.10147	6.0
367.11819	2.9
373.10706	3.7
374.11545	2.2
375.12296	20.3
376.12488	2.6
377.13907	4.3
385.10867	2.1
387.12244	5.6
389.13867	15.8
390.14572	2.2
391.15353	6.3
392.15570	2.3
395.11014	11.4
403.11859	6.6
405.13242	3.0
407.14719	5.4
417.13684	3.3
419.14832	7.8
421.16467	6.0
423.18259	3.6
435.14352	8.8
443.12625	2.0
451.17462	31.1
452.17831	4.4
463.13684	26.0
464.14194	2.3
465.15207	7.3
468.17291	2.0
477.14996	2.5
495.16498	2.6
595.21112	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.8
55.05502	19.5
67.05499	10.8
69.07677	38.2
72.48651	5.5
79.05469	11.6
81.03397	5.3
81.07044	16.1
83.04988	16.6
91.05429	7.5
93.07019	6.9
95.08610	7.2
99.08136	6.1
105.07030	7.8
107.08581	7.9
167.75360	5.3
169.10289	6.3
189.06834	6.3
206.00146	6.0
207.08031	5.8
221.06071	6.3
227.12862	14.8
245.06194	6.1
262.06171	6.8
263.07028	11.2
267.02908	15.2
275.07010	17.1
276.07776	6.0
277.04849	6.2
277.08609	12.8
279.06509	6.8
282.05264	6.2
290.05634	6.6
291.06641	8.9
292.07315	20.2
293.08041	15.6
303.06543	6.4
305.04465	7.4
305.07858	10.3
307.06235	11.8
307.09619	21.5
310.04688	23.2
318.05054	7.9
320.06662	13.6
321.07535	21.5
325.07132	53.1
331.06030	7.5
333.07468	20.6
335.09103	23.8
336.09787	11.8
348.06201	9.8
353.10928	6.9
363.08682	14.0
367.11731	11.2
395.11279	100.0
396.11215	9.0
453.24768	6.1
470.44278	6.6
559.36292	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
67.05524	3.5
67.35046	1.0
69.03435	4.4
69.07066	1.4
69.08577	9.5
71.04995	2.8
75.93958	1.0
79.05503	6.4
81.07074	5.6
83.01384	1.2
83.04983	2.7
85.02927	2.0
86.75902	1.2
91.05508	5.2
91.33105	1.0
93.07028	5.4
95.04969	3.5
95.08632	4.9
97.02879	1.5
97.06536	25.3
103.05527	1.6
105.07030	8.6
107.04953	2.0
107.08620	2.1
109.06519	8.0
109.10176	2.4
111.04466	1.3
111.08099	3.1
117.07038	3.9
119.04959	3.2
119.08611	5.7
121.06518	4.9
121.10186	1.7
123.04397	1.4
123.08079	3.8
125.06035	2.6
127.03953	1.5
128.06245	2.4
129.06985	6.8
131.08575	9.4
133.06516	5.2
133.10120	3.2
134.38406	1.1
135.08075	3.9
137.05934	6.0
137.09721	1.3
141.07008	3.4
142.07785	4.0
143.08569	13.0
145.06461	7.4
145.10127	5.7
147.04439	4.8
147.08083	4.2
149.06017	4.5
149.09633	3.7
151.03931	1.2
151.07558	2.3
153.06987	2.0
154.07790	1.6
155.08594	5.1
157.06496	3.0
157.10130	14.1
158.07242	1.4
159.08054	11.0
159.11667	5.7
160.08853	1.4
161.05980	2.5
161.09622	6.0
163.03931	1.4
163.07578	3.1
165.07007	2.7
165.09128	1.2
166.07828	3.0
167.07005	1.6
167.08542	2.3
168.09392	1.5
169.06442	1.8
169.10130	5.9
171.08110	4.9
171.11656	3.0
172.08858	2.1
173.06033	3.1
173.09653	8.9
173.13243	2.1
175.07596	4.3
175.11211	2.1
177.09090	9.9
178.07983	1.2
179.08495	1.6
179.10800	1.2
181.10118	5.9
183.08051	4.5
183.11737	4.1
185.06000	2.3
185.09615	10.6
187.07597	3.8
187.11189	6.1
189.09151	4.8
189.16458	1.3
193.10170	3.1
195.08015	1.7
195.11803	2.9
197.09631	3.9
199.07498	2.1
199.11246	7.4
201.09131	6.3
201.12692	6.3
203.08873	1.3
203.10747	3.7
204.09299	1.1
205.08638	3.5
205.10278	1.2
207.10120	2.0
208.08946	1.3
209.09618	5.4
209.13370	1.9
211.07529	1.9
211.11115	2.9
213.09155	4.3
213.12846	1.3
215.10664	4.0
217.12212	1.3
218.10814	1.6
219.11760	2.4
221.13322	2.8
223.11229	3.0
225.09164	3.1
225.12724	3.4
227.10641	6.2
230.10805	1.3
231.11746	2.1
233.13361	2.6
235.11288	2.2
235.17128	2.2
237.09164	1.6
237.12796	2.3
239.10657	1.3
243.10039	1.7
244.12373	1.8
245.11522	1.9
247.11243	2.5
247.14873	2.2
249.12810	2.7
251.10626	1.3
253.12244	1.8
253.18123	2.0
255.10181	1.5
259.11337	1.6
261.12875	2.8
261.16275	1.6
262.09781	1.3
265.12143	1.7
267.13834	1.7
267.17599	1.5
271.11127	1.3
273.16364	1.9
275.10794	1.4
275.14328	1.2
277.12363	2.6
277.15729	2.4
279.13940	2.6
285.12881	1.4
287.05548	1.8
287.14224	2.0
289.16132	1.3
291.13995	1.8
291.17215	1.3
293.15378	2.5
295.13348	1.8
297.03635	1.4
301.15826	2.3
303.05038	4.9
304.05194	6.6
305.11688	1.6
305.15240	2.2
307.13422	1.5
311.12982	1.5
315.17233	1.7
317.15372	2.3
317.18948	1.3
319.13574	1.6
319.16705	6.2
321.14920	2.1
323.16464	1.8
329.15399	2.7
331.16769	1.9
333.18262	1.4
335.16504	2.8
337.17914	2.1
345.14767	2.0
345.18613	2.6
347.16470	6.0
349.18192	1.5
357.06726	1.5
361.17831	3.1
363.15692	1.7
363.19534	3.1
365.17542	2.4
367.15472	4.1
371.16437	1.9
373.14035	1.4
379.19049	3.3
381.20776	1.8
387.19727	1.7
389.17343	3.3
391.18851	1.9
393.16852	3.6
399.15637	1.7
405.20697	2.5
407.18237	5.9
409.20221	8.7
411.17889	2.4
413.16782	2.3
417.16885	1.6
423.21979	2.6
425.19592	4.5
431.18170	1.6
433.14941	2.0
433.20178	4.8
435.17844	3.4
443.18375	2.1
449.19669	6.6
451.21744	5.7
453.19351	9.1
457.18411	3.1
459.18387	1.7
461.19550	3.1
467.20789	7.9
469.22464	16.9
470.22345	1.5
471.20236	4.7
477.18900	6.5
479.20453	5.8
483.20218	2.0
487.19623	4.9
495.13226	2.3
495.20117	30.7
496.20642	3.4
497.21967	9.6
503.19083	1.4
505.18396	4.4
513.21210	100.0
514.21497	13.3
515.22681	8.6
523.19623	24.1
524.19885	2.6
531.22369	14.9
532.22821	1.7
541.20667	40.6
542.20966	4.3
549.23468	8.4
559.21759	21.9
560.22241	3.2
577.22559	4.8
612.26453	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44219	2.4
53.24563	2.4
57.03440	4.2
68.13941	2.4
68.18036	2.3
69.03422	10.4
69.07103	2.7
71.88220	2.3
79.05510	2.8
81.07059	21.2
85.02921	3.7
92.84843	2.7
93.07063	2.7
97.02879	8.8
98.23454	4.9
105.07030	3.7
107.28019	3.0
109.06536	9.5
115.03950	8.4
121.06519	3.3
129.06972	3.5
131.08574	3.2
133.05003	6.7
133.06413	2.5
137.05975	35.2
141.07005	4.3
143.08519	3.6
149.05971	4.4
155.08549	6.5
157.10156	2.8
159.08043	4.3
159.11736	2.7
161.09653	4.2
164.55684	2.5
167.08513	4.9
169.10121	2.8
171.08046	3.4
176.08154	2.8
181.10059	3.3
185.09605	4.4
187.11191	5.2
189.09106	3.6
197.09737	3.7
199.11160	3.2
205.08595	3.0
223.07452	2.5
225.09065	3.6
227.10498	3.4
230.22720	2.7
249.12915	2.8
264.81793	3.2
277.82532	2.7
281.08142	3.6
289.14093	6.9
295.13181	6.1
299.09238	5.8
304.09402	5.3
308.10785	3.0
309.11191	3.6
313.10690	5.5
317.10345	3.9
318.11023	3.0
323.12759	7.5
345.13367	3.4
355.15405	18.7
356.15994	7.4
387.18002	100.0
388.18219	3.0
449.19446	7.8
451.19321	9.3
467.20532	5.5
495.20068	9.3
513.21155	12.1
523.19434	6.6
541.20721	42.8
542.21088	4.2
549.23102	18.3
559.21680	27.0
560.22095	3.7
577.22888	14.3
612.24115	3.8
613.23889	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.265
Annotation	Unknow
Peak:m/z	Relative Intensity
67.90224	5.8
69.03514	69.6
73.04750	8.9
75.94476	5.1
78.47597	5.7
79.05520	14.5
81.07061	48.3
85.02886	9.4
91.05407	9.0
91.05877	9.2
93.00835	4.8
93.06998	6.8
95.04937	15.3
97.02876	10.2
98.22646	13.6
105.07014	9.1
107.20164	5.5
109.06507	24.8
115.03976	6.8
117.06953	7.2
121.06538	8.3
123.04410	7.7
129.07034	16.4
131.04919	7.2
131.08559	10.6
133.10197	6.8
135.08086	6.2
137.05974	94.0
139.07510	8.5
143.08514	6.9
145.06439	9.3
145.10126	6.6
147.08029	5.4
149.05891	7.1
149.09720	6.1
151.07649	6.6
153.07077	5.6
155.08609	12.5
157.10110	6.3
159.08023	13.2
161.09555	5.2
163.07469	8.5
167.05602	6.2
167.07097	8.6
167.08484	6.4
169.10135	6.9
171.08086	14.9
173.09586	17.8
175.11160	41.4
181.10295	7.3
185.09625	25.7
187.07640	7.5
187.11214	15.8
189.05247	16.1
196.08784	7.7
197.09544	9.3
201.09065	6.3
203.06781	6.7
211.11263	7.5
213.09140	11.4
217.08211	8.3
231.10266	11.1
237.12656	6.8
239.10735	8.5
247.11275	7.7
253.12225	15.7
254.12991	7.3
357.06830	7.6
379.64215	6.4
401.17728	14.0
401.76395	6.3
409.20013	15.5
419.18539	73.6
435.17969	7.2
437.19775	41.9
447.18030	16.3
449.19363	18.5
465.19186	30.4
467.20456	19.5
477.19312	14.9
483.20151	13.6
489.24771	14.3
495.20221	19.1
511.19168	8.6
513.20776	17.1
523.19189	15.1
534.80029	6.3
541.20587	100.0
542.20990	15.4
559.21594	50.1
577.22858	19.3
612.25012	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66745	1.6
55.01870	4.5
57.03439	26.1
58.91002	1.5
59.05002	4.1
61.02913	2.4
61.18208	1.8
65.03298	1.4
67.05525	1.7
69.03432	77.7
69.07073	16.1
70.03790	1.5
70.55459	2.7
70.55803	2.5
71.04987	1.6
73.02917	9.1
75.04485	1.9
79.05499	2.3
81.03424	3.1
81.07061	5.4
83.04991	2.2
85.02906	51.3
87.04470	41.7
96.43979	1.6
97.02895	80.3
99.04480	4.1
103.03929	3.9
104.56910	1.5
107.04946	2.1
109.10168	1.9
113.73370	1.6
115.03934	72.4
119.41882	1.5
123.04429	2.9
123.11706	13.4
127.03930	11.1
133.04967	100.0
137.06029	1.7
139.03955	4.0
145.04942	7.7
151.11189	15.2
157.05028	8.5
163.05989	2.2
165.05447	2.2
169.12158	2.4
175.06154	2.1
181.04933	2.4
187.06010	1.8
193.04953	2.8
207.71475	1.9
211.05997	2.6
214.44626	1.7
229.07060	16.7
247.08150	6.9
247.13205	2.3
249.22939	1.9
259.08127	5.8
265.09241	6.6
272.56058	1.6
277.08990	1.7
283.15378	6.3
295.10147	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66745	1.6
55.01870	4.5
57.03439	26.1
58.91002	1.5
59.05002	4.1
61.02913	2.4
61.18208	1.8
65.03298	1.4
67.05525	1.7
69.03432	77.7
69.07073	16.1
70.03790	1.5
70.55459	2.7
70.55803	2.5
71.04987	1.6
73.02917	9.1
75.04485	1.9
79.05499	2.3
81.03424	3.1
81.07061	5.4
83.04991	2.2
85.02906	51.3
87.04470	41.7
96.43979	1.6
97.02895	80.3
99.04480	4.1
103.03929	3.9
104.56910	1.5
107.04946	2.1
109.10168	1.9
113.73370	1.6
115.03934	72.4
119.41882	1.5
123.04429	2.9
123.11706	13.4
127.03930	11.1
133.04967	100.0
137.06029	1.7
139.03955	4.0
145.04942	7.7
151.11189	15.2
157.05028	8.5
163.05989	2.2
165.05447	2.2
169.12158	2.4
175.06154	2.1
181.04933	2.4
187.06010	1.8
193.04953	2.8
207.71475	1.9
211.05997	2.6
214.44626	1.7
229.07060	16.7
247.08150	6.9
247.13205	2.3
249.22939	1.9
259.08127	5.8
265.09241	6.6
272.56058	1.6
277.08990	1.7
283.15378	6.3
295.10147	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33485	2.2
57.03429	2.1
62.03551	1.9
69.03426	5.9
70.18746	2.8
70.19123	6.6
79.05501	3.2
81.07063	8.6
85.02916	5.9
91.05457	2.5
92.24747	2.0
97.02882	3.8
109.06541	2.5
115.03935	4.4
128.06137	2.4
131.08556	2.4
137.05988	14.9
149.06039	2.6
154.41826	2.2
159.07964	3.2
167.07190	3.5
173.09680	3.6
183.08188	2.8
186.10461	2.9
193.10217	2.8
201.58261	2.7
209.09764	2.4
249.09120	2.0
253.08560	5.3
256.07291	2.2
267.06635	3.6
280.10770	4.1
285.07602	3.0
289.14185	6.2
295.13361	6.5
299.09076	6.9
303.08804	3.5
304.09375	6.0
317.10117	3.1
318.11066	7.0
323.12839	6.3
324.13651	2.7
325.10812	2.3
331.11877	4.8
345.13406	5.6
355.15356	18.0
356.16119	6.1
387.17990	100.0
388.18179	7.1
451.19348	7.1
454.42798	2.3
489.34543	3.0
495.20016	4.2
513.21051	7.1
523.19550	5.1
541.20703	22.8
542.20886	4.8
549.23199	18.6
559.22040	11.0
577.22687	6.2
612.23047	2.7
613.24866	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.1
55.05513	5.4
56.63469	0.7
59.04981	1.0
67.05486	3.2
67.26715	0.6
69.03430	35.9
69.07059	2.5
69.46519	0.7
70.03734	0.8
71.04981	2.5
79.05483	2.3
81.03420	0.9
81.07050	3.6
83.04971	3.4
83.08610	0.8
85.02904	0.8
85.06539	1.3
91.05453	3.6
93.07059	6.6
95.04964	1.8
95.08592	4.8
97.02863	1.2
97.06485	1.6
99.04439	3.4
101.06025	4.6
101.74142	0.8
105.07034	5.5
107.08584	5.8
109.06524	5.5
109.10127	1.8
111.08073	5.9
112.08389	0.7
113.05992	0.7
115.05441	1.1
117.06987	2.8
119.08589	5.1
121.06485	2.8
121.10117	5.9
123.08060	3.0
123.11671	2.5
125.05973	2.4
125.09641	0.7
127.21540	0.8
128.06212	1.6
129.05490	1.0
129.06976	3.0
131.08549	4.6
133.10098	2.3
135.08014	2.0
135.11700	5.6
137.06020	1.3
137.09613	2.0
139.07541	8.1
139.11180	7.7
141.06967	1.2
142.07729	1.7
143.08533	6.3
145.10146	5.0
147.11655	2.2
149.09586	2.7
153.06993	0.9
154.07784	0.7
155.08566	3.8
156.09401	1.1
157.10132	4.9
159.08032	1.5
159.11696	2.1
161.09601	2.5
161.13324	1.0
163.09979	1.1
163.11197	9.9
165.06969	1.8
167.08510	2.4
167.10666	8.2
168.09279	1.2
169.10168	5.2
171.07990	0.8
171.11668	4.8
172.12286	1.0
173.09619	2.8
173.13261	1.9
179.08568	2.3
180.09413	1.1
181.10164	3.1
181.12225	35.1
182.10901	1.3
182.12578	1.6
183.08081	1.0
183.11710	4.4
185.09630	1.1
185.13226	2.8
187.11166	1.6
191.10675	5.5
192.09343	0.9
193.10118	3.1
194.10938	0.8
195.10123	1.2
195.11690	3.7
197.09808	1.0
197.11688	2.8
197.13260	3.2
199.11229	2.2
199.14780	3.4
201.12674	1.4
205.10063	1.4
207.11751	4.0
209.11710	100.0
210.12123	3.9
210.13826	0.9
211.11241	0.9
211.14792	2.9
212.15630	1.5
213.12746	1.4
213.16371	1.0
217.04877	3.0
217.10030	1.0
218.10812	0.9
219.11722	1.1
221.13235	2.1
223.14859	1.7
225.12740	3.3
227.14302	12.2
228.14911	2.4
233.13203	1.7
235.14856	2.4
236.15416	0.8
237.16400	1.8
239.14287	2.1
245.13351	1.3
247.14856	3.7
251.14334	1.5
251.17752	0.9
257.15344	1.8
259.14786	1.8
265.13226	1.0
265.15851	4.6
265.19492	1.1
266.16666	2.3
267.13678	1.1
267.17432	2.2
267.21066	0.8
275.17896	1.7
277.19418	2.2
283.16824	1.0
285.14777	1.8
293.19150	1.5
295.20547	3.4
296.21182	0.9
303.15906	9.6
329.13925	1.8
341.17322	2.1
357.20142	1.0
371.22165	15.3
372.22375	1.1
395.25745	0.9
405.24014	2.1
419.25479	1.1
423.25311	42.6
424.25812	6.1
435.25201	2.9
437.26776	3.4
441.26395	27.7
442.26688	2.6
453.26233	4.8
455.27835	1.4
463.24719	2.1
471.27264	1.7
481.25800	4.1
499.26917	21.7
500.27203	2.7
517.27802	2.6
532.19116	1.0
608.77704	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.1
55.05513	5.4
56.63469	0.7
59.04981	1.0
67.05486	3.2
67.26715	0.6
69.03430	35.9
69.07059	2.5
69.46519	0.7
70.03734	0.8
71.04981	2.5
79.05483	2.3
81.03420	0.9
81.07050	3.6
83.04971	3.4
83.08610	0.8
85.02904	0.8
85.06539	1.3
91.05453	3.6
93.07059	6.6
95.04964	1.8
95.08592	4.8
97.02863	1.2
97.06485	1.6
99.04439	3.4
101.06025	4.6
101.74142	0.8
105.07034	5.5
107.08584	5.8
109.06524	5.5
109.10127	1.8
111.08073	5.9
112.08389	0.7
113.05992	0.7
115.05441	1.1
117.06987	2.8
119.08589	5.1
121.06485	2.8
121.10117	5.9
123.08060	3.0
123.11671	2.5
125.05973	2.4
125.09641	0.7
127.21540	0.8
128.06212	1.6
129.05490	1.0
129.06976	3.0
131.08549	4.6
133.10098	2.3
135.08014	2.0
135.11700	5.6
137.06020	1.3
137.09613	2.0
139.07541	8.1
139.11180	7.7
141.06967	1.2
142.07729	1.7
143.08533	6.3
145.10146	5.0
147.11655	2.2
149.09586	2.7
153.06993	0.9
154.07784	0.7
155.08566	3.8
156.09401	1.1
157.10132	4.9
159.08032	1.5
159.11696	2.1
161.09601	2.5
161.13324	1.0
163.09979	1.1
163.11197	9.9
165.06969	1.8
167.08510	2.4
167.10666	8.2
168.09279	1.2
169.10168	5.2
171.07990	0.8
171.11668	4.8
172.12286	1.0
173.09619	2.8
173.13261	1.9
179.08568	2.3
180.09413	1.1
181.10164	3.1
181.12225	35.1
182.10901	1.3
182.12578	1.6
183.08081	1.0
183.11710	4.4
185.09630	1.1
185.13226	2.8
187.11166	1.6
191.10675	5.5
192.09343	0.9
193.10118	3.1
194.10938	0.8
195.10123	1.2
195.11690	3.7
197.09808	1.0
197.11688	2.8
197.13260	3.2
199.11229	2.2
199.14780	3.4
201.12674	1.4
205.10063	1.4
207.11751	4.0
209.11710	100.0
210.12123	3.9
210.13826	0.9
211.11241	0.9
211.14792	2.9
212.15630	1.5
213.12746	1.4
213.16371	1.0
217.04877	3.0
217.10030	1.0
218.10812	0.9
219.11722	1.1
221.13235	2.1
223.14859	1.7
225.12740	3.3
227.14302	12.2
228.14911	2.4
233.13203	1.7
235.14856	2.4
236.15416	0.8
237.16400	1.8
239.14287	2.1
245.13351	1.3
247.14856	3.7
251.14334	1.5
251.17752	0.9
257.15344	1.8
259.14786	1.8
265.13226	1.0
265.15851	4.6
265.19492	1.1
266.16666	2.3
267.13678	1.1
267.17432	2.2
267.21066	0.8
275.17896	1.7
277.19418	2.2
283.16824	1.0
285.14777	1.8
293.19150	1.5
295.20547	3.4
296.21182	0.9
303.15906	9.6
329.13925	1.8
341.17322	2.1
357.20142	1.0
371.22165	15.3
372.22375	1.1
395.25745	0.9
405.24014	2.1
419.25479	1.1
423.25311	42.6
424.25812	6.1
435.25201	2.9
437.26776	3.4
441.26395	27.7
442.26688	2.6
453.26233	4.8
455.27835	1.4
463.24719	2.1
471.27264	1.7
481.25800	4.1
499.26917	21.7
500.27203	2.7
517.27802	2.6
532.19116	1.0
608.77704	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99065	5.9
52.77428	4.6
53.03944	14.0
55.05507	36.4
57.03439	27.2
57.07066	7.5
58.84579	5.1
67.05505	100.0
68.05840	8.5
69.03439	5.5
69.07063	24.1
71.04967	8.6
71.30521	5.9
79.05489	62.5
81.03418	77.6
81.07055	99.9
83.04965	7.4
83.08614	23.0
91.05451	47.6
93.07034	76.5
94.07377	6.1
95.04961	35.8
95.08604	74.9
96.08953	6.8
97.06499	7.6
97.10186	10.1
99.08108	7.2
105.07008	46.3
107.04934	8.0
107.08582	38.2
109.10147	36.3
111.04403	7.8
111.08070	10.9
117.07017	14.2
119.08576	37.0
121.06539	6.5
121.10162	43.4
123.08012	10.2
123.11716	12.8
129.07025	15.1
131.08554	35.5
133.10170	28.1
135.11647	19.3
137.09634	8.5
143.08568	8.5
145.10115	24.7
147.11700	17.7
149.09569	12.4
149.13248	14.8
157.10135	15.9
159.11694	12.1
161.13283	14.1
173.13306	10.2
175.11212	9.0
193.12236	21.6
217.21353	6.1
231.13501	5.2
261.22156	19.1
267.15915	94.2
268.16187	6.6
271.56558	5.2
286.46939	6.8
301.25327	8.1
323.89706	6.4
335.25812	84.5
336.26102	9.1
419.74112	5.5
453.33334	7.8
498.64297	7.2
527.37439	43.3
545.38245	16.6
552.25293	7.1
594.26477	7.9
612.27997	49.0
612.47174	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.3
69.03448	0.3
69.10909	2.7
79.05505	0.4
81.03447	0.3
81.07059	0.5
85.02916	0.3
95.04906	0.3
97.02885	0.4
103.90395	0.3
105.07022	0.4
107.08591	0.4
115.03927	0.4
127.08488	0.4
129.45827	0.3
132.29883	0.3
133.04964	0.5
137.06027	0.5
139.03928	0.4
143.19907	0.3
151.03996	0.3
161.05751	0.6
167.07068	0.6
181.10207	0.3
323.12521	0.5
341.09995	0.3
381.17041	0.3
385.12692	0.9
461.19269	1.1
477.18961	0.4
479.20529	1.6
489.19156	0.4
491.20355	2.1
493.21930	2.5
495.19647	0.5
507.19815	1.9
509.21271	0.8
510.20978	0.3
523.19446	3.9
535.19104	0.5
539.22498	8.4
540.23035	1.1
551.23053	0.5
553.20361	2.1
554.21436	0.4
567.22101	1.9
569.23645	4.3
570.23999	0.5
613.22491	100.0
614.22833	13.5
614.42322	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35425	9.2
55.05519	51.2
65.46889	11.7
69.11322	79.2
69.11720	24.7
75.45642	10.6
79.65863	9.5
80.15762	9.1
83.04967	28.6
153.05363	10.2
163.74933	10.8
193.05122	12.3
211.07545	19.7
217.04961	47.7
217.86961	9.7
217.90546	11.5
239.07205	10.5
249.05411	10.2
251.07011	18.7
252.04132	12.6
255.02774	13.5
266.01968	10.9
267.06625	18.8
269.04654	19.0
269.07800	14.7
279.06534	25.0
281.04398	42.1
289.54279	9.9
293.08124	13.1
295.06015	30.5
296.06866	24.3
297.03934	53.4
297.07507	29.9
298.04623	27.5
299.09360	11.2
307.05890	12.0
309.07620	26.6
310.08249	17.2
311.09158	11.1
312.06381	24.4
313.07053	100.0
314.07526	14.8
321.07626	42.6
322.08218	20.8
323.05493	12.3
323.08911	13.2
325.07074	30.9
326.07370	11.8
326.82016	11.0
339.08557	20.9
340.09326	55.0
341.10101	42.0
353.10245	65.6
355.07950	35.9
355.11777	16.3
356.08868	57.5
367.11865	12.4
395.11127	10.8
413.12393	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94519	2.8
53.03938	6.3
55.05512	95.4
56.05848	3.1
65.03927	3.3
69.03428	6.5
69.37824	18.0
71.04996	9.9
71.12961	3.7
77.79924	2.4
79.05488	12.0
81.07061	44.3
83.04983	100.0
89.88932	2.9
91.05460	7.0
93.07051	4.4
95.04945	8.2
95.08575	7.1
97.02886	4.5
99.04453	23.1
105.07026	7.3
107.08569	4.3
109.06524	19.4
115.05484	3.2
119.08550	6.4
121.06489	7.2
123.08046	5.4
127.03909	9.1
129.07008	5.6
131.08595	4.5
133.06490	5.4
135.08055	4.8
137.05986	43.8
141.07027	5.8
143.08571	5.2
145.06465	7.3
145.10083	3.1
147.08046	4.6
149.05925	3.7
155.08554	8.0
159.08023	7.0
165.07024	6.7
166.07803	3.7
167.08517	4.2
169.06503	3.7
171.08040	8.8
173.09622	3.3
175.07579	4.6
178.07773	3.1
179.08572	7.8
181.06561	3.4
182.07332	4.8
183.08073	9.7
184.08810	4.4
185.09634	5.8
190.07788	3.5
192.09363	4.0
193.10139	5.2
195.08127	6.7
197.09581	6.3
199.07574	3.5
205.10246	7.2
207.08174	5.7
207.10179	10.4
207.11865	4.7
209.09669	6.8
211.07596	4.0
213.09248	3.5
218.10829	3.2
219.08054	4.4
219.11748	4.2
220.08841	4.6
221.09624	6.1
223.11302	5.8
225.09113	4.6
229.10266	3.8
230.10857	4.0
233.09515	7.3
234.10397	4.8
235.07515	4.0
235.11201	8.2
237.09102	9.1
237.12778	7.9
238.06085	3.4
239.03383	3.7
239.10637	6.5
245.09697	4.9
246.10498	4.7
247.11165	8.0
249.08963	4.3
249.12811	6.1
251.03346	6.0
251.07059	5.0
251.10683	4.4
251.14249	3.7
253.08542	3.7
259.11203	5.2
261.12772	7.0
263.07013	6.2
263.10614	6.0
264.07663	4.1
264.11435	3.9
265.04886	3.3
265.08551	5.1
265.12210	7.1
266.05865	4.7
267.06381	3.8
275.10742	5.0
275.14362	7.2
277.12253	6.0
277.15649	3.4
279.06354	5.9
279.10315	3.8
279.13757	5.3
280.07175	6.3
281.08344	4.5
281.11646	7.3
282.05423	4.4
282.08572	3.9
291.06491	4.9
292.07291	4.9
293.08084	4.2
293.11899	4.8
293.15234	5.8
294.05264	5.0
294.08875	3.5
295.09732	4.9
295.13235	3.2
296.06805	4.8
297.07495	17.2
297.10684	3.4
303.13831	5.5
305.15070	5.0
307.06253	3.6
308.06863	4.8
309.11295	5.2
311.05472	4.6
313.07080	5.6
321.14957	6.6
323.09204	22.1
324.09753	5.1
325.10471	4.1
326.07840	6.7
328.09409	5.3
337.10715	5.4
338.11475	3.4
339.12100	6.6
347.16428	4.5
353.10226	14.1
355.11713	21.9
356.12036	3.1
365.09952	3.8
367.11740	7.4
379.11755	7.2
389.17514	3.5
391.19177	8.3
392.19580	4.3
397.12106	6.9
397.16891	31.2
398.16953	4.1
401.17480	12.2
402.18170	4.2
413.17874	3.5
417.16904	4.8
419.18564	46.5
420.19299	15.0
421.19995	6.3
431.18506	8.4
433.20044	3.5
435.17975	10.9
437.19595	30.1
438.20410	6.4
449.19507	16.0
453.18753	5.5
455.20432	11.8
459.17923	4.3
467.20758	16.0
477.18790	9.9
485.21811	4.7
495.20142	29.7
513.20966	10.1
613.26569	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	87.1
69.09377	43.1
83.04491	6.9
83.04980	100.0
83.60210	5.0
98.23361	9.8
99.04472	42.4
105.03371	4.9
119.04961	6.0
127.03925	18.5
132.05725	10.9
133.10226	5.4
207.10158	37.9
222.06784	5.4
223.04062	4.7
235.07498	6.0
239.03517	4.6
249.05490	6.3
250.06210	6.3
251.03305	9.2
251.07170	9.2
252.04260	5.7
253.05000	5.0
263.07114	5.6
263.57321	4.3
265.04898	6.2
265.08566	11.8
266.05884	12.0
267.06601	6.8
277.08572	5.7
279.06494	12.7
280.07257	10.2
281.08148	8.5
282.05362	7.9
287.08957	6.7
291.06430	11.0
292.07376	5.3
293.04694	8.7
293.08133	11.7
294.05334	8.3
295.06143	9.7
295.09525	5.7
297.07513	50.2
298.08170	5.5
305.08063	7.7
307.05887	6.8
307.09360	4.5
308.06802	12.2
309.07562	11.3
311.05621	15.4
311.09195	8.8
313.07120	11.0
315.08368	5.0
321.07599	8.8
322.08450	18.3
323.09164	78.5
324.09982	14.1
325.10681	6.5
326.07959	25.0
326.11310	6.6
333.07474	6.4
333.67990	4.7
337.10776	12.8
338.11057	6.1
339.08646	7.9
339.12363	10.0
340.09366	14.8
348.10294	6.7
350.07809	5.3
353.10077	30.6
354.10873	5.8
355.11768	43.5
357.09720	14.9
364.09396	6.3
365.10104	8.3
366.10892	9.4
367.11682	23.2
369.13208	18.7
379.11826	18.8
396.43326	4.9
397.12906	35.3
587.30432	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29713	2.1
53.03945	5.1
55.05513	81.4
56.96569	2.5
58.21309	2.3
63.85276	2.0
65.58286	2.0
67.05486	2.9
69.18443	15.9
73.41702	1.7
73.97304	2.1
78.91733	1.8
79.05476	3.0
80.92125	2.1
83.04984	100.0
84.05292	2.5
91.05470	3.8
93.07027	2.7
99.04447	4.8
105.07034	2.7
119.08567	2.9
126.95718	1.8
207.08130	2.1
207.10114	2.4
211.07573	3.3
213.05330	2.8
222.06790	4.2
225.05505	2.9
226.06111	2.2
233.13478	2.2
237.05461	6.1
237.09138	3.8
238.06093	2.9
239.07182	4.4
241.04964	3.6
242.05588	2.8
243.11382	2.0
250.06285	4.5
251.03325	3.5
251.07149	4.8
252.07727	7.4
253.04991	4.5
253.08473	1.9
255.06543	2.4
256.07260	5.0
262.05972	2.9
263.07065	2.4
264.07910	3.2
265.04993	5.9
265.08554	7.5
266.05768	5.2
267.06470	6.6
279.06552	3.4
280.07251	18.6
281.07947	5.8
283.06024	5.2
285.07596	2.7
291.06503	4.1
292.07358	4.3
293.04669	3.5
293.08054	7.8
294.05078	4.3
294.08444	2.5
295.05975	5.0
295.09338	4.8
296.06888	3.2
297.07623	10.1
298.08173	3.2
307.05930	2.6
308.06747	11.7
309.07513	11.7
310.08200	2.3
311.05505	7.0
311.09134	5.3
313.06989	6.8
314.07919	2.3
315.08609	3.7
321.07483	3.1
322.08218	4.1
323.09134	24.7
324.09824	7.1
325.07074	5.9
325.10602	3.8
326.07843	17.8
327.08395	4.9
328.09299	3.5
329.10236	7.3
335.09109	4.5
336.09802	2.4
337.07047	7.0
337.10645	3.6
338.78229	2.2
339.08609	3.6
340.09442	6.7
341.10184	60.1
342.10739	13.2
343.08160	4.7
343.11725	2.3
352.09372	7.9
353.10272	11.9
354.10599	3.3
355.11740	46.9
355.15845	3.8
357.09659	5.8
357.13568	3.4
358.10477	5.1
366.10968	2.9
367.11783	10.7
369.13452	2.4
379.11743	5.6
383.11185	9.0
385.12808	7.1
395.11215	3.1
397.12738	5.8
410.13718	2.5
413.12457	4.3
418.61786	2.2
440.14621	8.7
455.16965	3.8
494.07849	2.4
553.23645	5.7
571.25079	2.7
581.23779	3.7
613.26215	7.9
613.38971	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39526	0.2
52.63871	0.2
53.53089	0.2
59.08867	0.2
65.34593	0.2
69.23805	0.9
69.24211	0.4
83.04974	0.2
88.66860	0.2
89.85853	0.2
95.08624	0.2
98.23336	0.4
98.97601	0.3
105.07010	0.2
393.20331	0.4
410.52136	0.2
423.21518	0.3
425.19171	0.2
447.25061	0.8
453.22433	1.7
454.39304	0.2
473.22803	0.4
483.23776	0.2
491.17426	0.4
491.24008	3.3
507.27237	1.4
509.25433	0.3
511.23010	0.9
515.22601	1.6
533.24908	0.7
551.26154	9.3
552.26526	1.3
553.23889	1.2
569.27313	0.8
595.24915	1.5
596.25342	0.3
613.26141	100.0
614.26453	9.7
614.36731	0.4
617.39783	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22857	3.6
55.05275	5.1
55.05514	78.7
56.29381	3.8
57.01543	4.1
69.61743	18.3
75.56158	3.8
79.05478	6.8
81.07056	9.6
83.04485	5.7
83.04977	100.0
93.07024	5.8
98.22676	7.7
99.04444	23.5
101.47020	4.4
109.10108	4.0
119.04974	8.0
119.08572	7.4
127.03879	8.1
132.05756	7.7
156.42213	4.8
170.62527	4.6
173.13133	4.3
207.10080	25.4
250.06291	7.4
251.03404	12.3
251.06929	7.1
263.06949	9.0
265.04901	5.8
265.08539	13.1
266.05826	7.9
268.07437	4.7
277.10898	5.5
279.06509	7.3
281.04465	4.7
281.07950	5.4
282.05215	6.0
291.06525	7.8
293.04633	7.3
293.08066	12.8
294.05054	13.0
294.08524	4.5
295.06262	8.5
295.09625	10.0
297.07516	35.6
305.07788	4.4
308.06726	11.6
309.07404	6.0
311.05478	13.1
313.06989	9.5
314.07693	5.9
322.08289	11.1
323.09134	52.6
324.09460	10.0
325.06851	13.0
325.10480	5.7
326.08044	19.2
327.08606	4.5
329.10068	8.4
337.10663	9.1
339.08496	5.0
340.09396	9.0
353.10208	23.6
355.11734	22.7
357.09610	14.8
365.10089	6.2
366.10760	6.8
367.11771	17.6
369.13327	7.8
379.11697	16.9
397.12650	18.6
410.13300	6.4
531.30359	11.6
595.37354	4.9
613.26324	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.8
55.01881	2.3
55.05514	82.0
57.89395	1.2
65.03922	1.6
67.05513	8.9
69.03419	6.2
69.07074	1.9
71.04996	1.4
79.05495	14.2
81.07061	50.8
82.07413	1.5
83.04984	100.0
84.05292	1.8
91.05466	12.2
93.07029	8.1
95.04989	6.5
95.08616	12.1
97.02899	5.5
97.06505	3.3
98.22620	2.7
99.04449	4.9
101.06113	1.1
103.05462	3.0
105.04575	1.6
105.07032	12.0
106.38173	1.4
107.04955	3.4
107.08643	6.6
109.02851	1.2
109.06520	21.9
109.10197	1.5
111.04426	2.6
111.08086	1.5
115.05463	4.0
117.07023	5.7
119.04967	1.8
119.08580	5.9
121.06512	6.5
123.04398	1.4
123.08079	9.0
125.05991	1.6
128.06186	6.0
129.07005	7.2
131.04945	3.0
131.08577	9.2
133.06496	7.8
133.10114	2.3
135.08090	4.0
137.05977	65.3
139.03922	1.8
139.07501	1.6
141.07024	8.5
142.07771	3.0
143.08568	11.4
145.06480	21.1
145.10135	5.0
147.04468	1.6
147.08055	8.5
149.02414	1.4
149.06003	4.3
149.09615	1.7
151.07549	2.2
152.06190	1.5
153.05536	3.5
153.07010	5.9
153.09119	2.8
154.07813	2.4
155.07408	1.7
155.08549	10.2
157.06505	5.4
157.10110	8.1
158.07289	1.4
159.04436	2.1
159.08067	13.5
159.93523	1.6
160.08760	1.7
161.06006	3.3
161.09615	3.1
163.07552	5.1
165.07010	5.4
165.09103	2.5
166.07794	2.5
167.07251	1.8
167.08546	6.4
167.63420	1.3
169.06528	7.8
169.10098	9.4
170.07233	3.6
171.08054	16.4
171.11819	2.4
172.08821	1.9
173.06010	3.3
173.09631	8.3
175.07544	4.7
178.07817	4.5
179.08542	8.3
180.09302	2.4
181.06534	3.3
181.10074	8.0
182.07298	2.9
183.06587	2.3
183.08052	17.2
183.11725	3.8
184.08713	3.0
185.05975	2.4
185.09642	15.2
185.13101	1.4
187.07573	8.4
187.11198	1.9
189.07137	1.4
189.09117	4.1
190.07826	2.3
191.06987	1.3
191.08571	5.3
192.09338	4.9
193.10094	8.1
194.10931	2.3
195.08090	9.2
195.11736	5.2
196.08832	3.0
197.05954	1.9
197.09636	15.4
199.07619	6.2
199.11186	5.7
201.09055	5.8
202.07787	3.3
202.09863	2.0
203.08598	4.8
203.10406	1.5
204.09346	4.0
205.06631	1.3
205.10115	6.7
206.10919	2.6
207.08067	5.4
207.11667	7.4
208.08833	3.6
209.09628	17.0
209.13329	2.9
210.10381	4.8
211.07556	6.6
211.11217	7.3
212.08206	1.5
213.09097	4.4
213.12819	1.7
215.08771	1.4
215.10588	2.2
216.09361	3.3
217.10103	5.3
218.07320	1.6
218.10936	2.6
219.08073	4.0
219.11746	6.0
220.08839	5.5
220.12488	2.1
221.09586	9.6
221.13242	5.5
222.10213	2.8
223.07579	2.7
223.11185	7.7
225.09108	4.6
225.12759	5.4
227.10663	11.6
228.09288	2.2
229.10126	3.4
230.10948	5.4
230.68855	1.3
231.08058	1.8
231.11800	3.6
232.08762	4.1
232.12427	1.9
233.09625	13.2
233.13239	2.9
234.10338	4.7
235.07570	2.7
235.11223	12.1
235.14780	2.3
236.08337	2.9
236.11848	3.0
237.09126	5.6
237.12672	7.0
237.16460	1.6
238.09682	1.4
238.13385	1.4
239.10739	4.5
239.14409	1.5
241.12263	1.8
242.10901	3.3
243.10133	2.2
245.09612	7.8
245.13271	2.1
246.10419	3.3
247.11220	11.0
247.14862	3.0
248.08192	1.5
248.11943	4.8
249.09145	4.3
249.12785	7.5
250.09848	2.2
250.13666	2.1
251.10670	5.2
251.14398	3.5
253.12286	4.0
255.13870	1.4
257.09497	2.5
257.11682	2.7
258.10269	2.8
259.11197	5.2
259.15018	3.1
260.11951	3.0
261.09100	3.9
261.12790	7.7
262.09976	1.4
262.13519	1.6
263.10791	5.8
263.14334	7.4
264.11383	3.7
265.08804	1.2
265.12213	7.5
265.15820	4.7
266.13040	3.1
267.09970	5.8
267.13959	3.0
269.11874	2.2
272.11935	2.6
273.12689	3.5
274.13315	1.9
275.10876	2.7
275.14279	9.8
276.11365	2.4
276.14844	1.6
277.12216	4.0
277.15799	3.0
279.10233	2.0
279.13773	5.1
281.11740	5.4
281.15234	2.1
283.13324	4.4
285.12607	4.7
287.14499	6.0
289.12207	5.1
289.15607	2.7
291.10880	1.4
291.13776	6.2
293.11801	3.2
293.15332	6.3
294.15930	1.6
295.13235	4.9
295.16595	2.3
296.13901	1.3
299.14236	1.6
301.12036	2.5
303.10730	1.7
303.13840	8.2
305.15387	7.9
307.13388	10.6
307.16666	2.7
309.11310	2.9
309.14841	2.9
313.14377	2.4
315.13879	3.2
317.15231	3.3
319.13245	3.3
321.14706	3.8
323.12918	1.7
323.16412	3.1
325.14352	8.7
333.14850	6.3
335.16446	3.0
339.15948	2.8
341.17722	1.6
345.14847	2.0
349.14264	3.1
349.18051	1.5
351.15961	3.5
361.14102	2.0
361.18002	3.6
363.15784	2.3
363.19791	2.3
365.17450	2.7
369.16870	4.8
371.16193	1.5
373.18005	3.3
375.15991	2.4
377.17447	2.6
379.15228	2.5
381.20670	3.4
383.16394	2.1
385.17645	2.5
389.17508	6.8
391.19598	6.6
392.19623	3.6
397.16559	6.2
399.15674	1.7
401.17615	16.1
402.18149	5.3
403.19186	8.9
407.18533	6.1
409.20490	1.6
413.17334	5.9
415.18314	2.6
416.18262	2.0
417.17084	3.0
419.18695	32.3
420.19061	12.2
421.20145	9.0
424.91101	1.6
431.18677	10.7
433.19913	5.7
435.18127	1.8
437.19791	29.4
438.20132	4.9
439.21130	3.1
441.16965	2.4
449.19647	14.8
450.19574	1.8
451.21231	3.8
459.17929	7.2
467.14630	1.9
467.20667	24.2
468.20868	2.0
469.18539	4.9
477.19214	11.3
478.19489	1.7
485.21521	5.5
495.20236	15.2
513.21344	16.9
514.21674	3.0
613.25977	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74808	3.5
53.03938	11.6
55.05510	24.1
57.07069	9.1
65.03943	4.3
67.05499	52.7
69.03445	6.6
69.07066	16.4
69.09534	17.2
69.09961	17.1
71.08611	7.1
73.25683	3.7
76.40742	3.3
79.05486	44.1
79.69299	3.4
81.03436	5.9
81.07059	64.3
83.04992	28.2
83.08621	7.6
85.10200	4.2
87.00832	4.7
89.06028	12.2
91.05476	52.4
93.07046	100.0
95.04958	17.9
95.08607	74.6
96.95744	4.0
97.02889	5.2
97.06546	7.2
97.10136	4.8
98.22650	9.8
99.04466	5.2
105.04527	5.2
105.07028	55.6
107.04925	6.2
107.08594	46.8
109.06499	11.9
109.10155	30.5
111.04435	13.2
111.08087	38.0
117.06989	22.5
119.08584	54.9
121.06495	25.7
121.10152	34.7
123.08076	43.9
123.11704	17.6
127.03883	5.0
127.61278	4.5
128.06183	8.9
129.07021	19.7
131.08586	28.4
133.08603	9.0
133.10127	58.5
135.08060	10.3
135.11703	31.9
137.09647	4.8
139.03897	5.0
139.07549	21.3
141.07001	12.4
142.07788	6.6
143.08548	27.9
145.06462	5.5
145.10104	39.4
147.11664	29.7
149.06004	11.9
149.09564	5.4
149.13176	8.8
151.07541	7.8
153.06931	3.9
155.08537	27.4
156.09343	10.7
157.10149	25.7
159.08134	6.3
159.11693	26.9
161.09619	9.1
161.13248	5.5
163.07513	5.6
163.11188	4.2
165.06990	7.9
165.09091	4.8
167.07054	50.1
167.08543	13.2
168.09399	4.4
169.08890	3.7
169.10107	26.7
171.08043	3.7
171.11658	25.3
173.09677	8.7
173.13258	11.2
175.11165	6.5
177.11234	6.1
179.08563	11.2
180.09467	5.3
181.08632	9.3
181.10139	20.9
182.10866	6.1
183.11647	20.2
185.13231	24.2
187.11215	17.2
187.14813	6.5
192.09302	6.0
193.10184	19.3
194.10956	6.3
195.11682	22.4
196.08882	4.7
196.12437	7.1
197.09627	4.9
197.13246	21.7
199.11177	10.2
199.14810	12.3
203.17882	4.9
205.10112	9.5
206.10980	8.8
206.98993	3.8
207.11775	22.8
209.11575	4.1
209.13237	21.2
211.14815	15.1
213.12695	5.0
213.16347	5.9
217.10222	5.9
218.10962	8.0
219.11678	16.7
220.12466	8.0
221.13292	24.9
222.13974	5.7
223.11166	6.3
223.14868	13.8
225.12756	8.5
225.16389	11.9
227.14455	4.9
229.10249	4.3
229.12311	5.5
231.11696	10.2
232.12367	8.2
233.13400	19.5
235.14799	18.1
237.16275	8.6
239.14253	8.4
239.18138	5.9
244.12468	4.7
245.13188	11.7
245.15462	7.8
246.14027	7.4
247.14835	16.1
248.15604	6.4
249.16368	15.0
253.19487	4.9
258.13953	6.2
259.14725	8.1
260.15720	4.6
261.16415	8.5
263.14313	4.7
263.17978	10.6
264.74222	4.4
265.19620	6.4
269.13150	5.9
273.16217	6.9
275.17923	10.5
277.19504	5.5
281.22574	10.4
285.16245	7.0
287.17859	8.8
289.19659	4.9
291.21045	9.2
297.16385	4.7
299.17880	9.7
301.15714	5.0
301.19122	4.7
303.20963	4.6
305.22601	5.1
313.19553	6.8
315.21091	6.9
317.22961	8.1
331.24112	8.5
341.22659	5.3
351.23245	7.5
369.24380	6.0
373.21384	8.5
389.24710	33.2
415.26083	4.9
433.27307	8.8
445.30939	9.8
459.25287	17.1
525.37451	26.1
526.37616	6.4
535.35437	8.0
549.36969	6.8
553.36725	20.1
567.37994	8.1
569.40155	24.5
577.36713	18.2
595.37756	73.3
596.37457	6.6
613.38556	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85775	2.9
53.03948	5.7
55.01883	3.6
55.05509	36.1
57.07067	10.0
57.33732	2.4
60.31083	2.8
62.73877	2.6
63.59196	2.6
64.31749	3.2
65.03941	6.2
66.92746	3.4
67.05178	3.4
67.05507	37.0
69.03427	4.8
69.07064	29.9
69.62937	13.6
70.07376	3.0
71.05013	3.5
71.08642	4.4
79.05497	23.1
81.07056	38.0
83.04985	46.4
83.08614	13.0
89.06038	9.3
91.05476	46.1
93.07044	65.8
94.07378	3.1
95.04969	13.0
95.08613	60.9
97.06528	5.0
97.10161	3.6
98.23288	4.7
103.05449	3.5
105.04557	3.5
105.07027	50.3
106.07365	3.6
107.04967	6.2
107.08590	40.1
109.06532	8.5
109.10146	21.0
111.04420	14.0
111.08076	21.0
113.05954	5.1
115.05440	4.9
117.07008	15.7
119.08590	65.8
121.06521	11.3
121.10162	28.2
123.04462	7.0
123.08052	9.8
123.11717	6.3
128.06230	10.2
129.07007	21.5
131.08568	40.7
132.08916	3.2
133.08612	5.4
133.10127	47.5
135.08096	6.5
135.11699	8.7
137.05942	4.9
137.09630	8.5
139.07570	18.9
141.06993	17.2
142.07788	13.5
143.08585	32.5
144.09337	3.9
145.06511	2.8
145.10121	37.6
147.08086	6.0
147.11710	28.8
149.05966	3.9
149.09639	12.3
149.13246	7.2
150.96490	3.1
153.06964	6.6
153.09131	8.2
154.07758	3.8
155.08537	41.7
156.09320	12.4
157.10133	43.9
159.08078	5.9
159.11690	26.0
161.09630	11.1
161.13254	7.3
163.11208	7.9
165.06972	7.9
166.07832	5.1
167.08556	20.3
168.09355	4.8
169.10120	37.3
170.10901	7.1
171.08089	7.2
171.11679	37.1
173.09618	8.4
173.13223	17.1
175.07545	3.1
175.11223	36.7
175.14790	3.3
177.09103	4.7
178.07867	3.8
179.08566	15.9
180.09323	4.4
181.08722	4.0
181.10123	25.0
182.10910	13.5
183.11684	26.6
184.12436	4.3
185.09657	4.8
185.13263	19.1
187.11230	9.5
187.14813	12.8
189.09113	4.2
189.12785	7.7
191.08751	6.5
191.10674	50.3
192.09312	7.6
193.10168	18.2
193.12257	38.0
194.10887	6.2
194.12566	3.8
195.11681	24.1
196.12450	11.6
197.09596	6.1
197.13231	20.6
198.13994	4.1
199.11147	5.4
199.14894	11.3
200.15450	3.4
201.12758	5.4
201.16423	4.6
203.08615	4.2
204.09354	3.5
205.10176	11.2
206.10899	5.5
207.11703	23.9
208.12328	4.0
209.09787	2.9
209.13295	24.1
210.14055	4.2
211.11111	5.0
211.14841	20.9
212.15413	5.0
213.12801	5.8
213.16389	6.7
215.14265	6.6
217.10181	7.4
218.10881	4.2
219.11734	12.3
220.12483	6.5
221.13202	20.3
222.13834	4.7
223.11241	4.6
223.14778	18.9
225.12888	5.3
225.16391	14.0
227.14308	13.2
231.11684	8.9
231.13774	5.5
232.12454	6.2
233.13257	11.0
234.14056	8.4
235.14771	17.0
237.16389	11.2
239.14334	11.7
239.17996	4.7
243.11705	6.7
245.13264	7.0
245.15430	9.1
246.14000	4.6
247.14890	10.7
249.16371	11.0
251.14171	4.7
251.17992	5.8
253.16087	3.7
253.19382	5.6
257.13144	6.3
257.15500	7.4
258.14066	5.4
259.14804	10.5
261.12482	3.5
261.16415	11.5
262.17059	3.7
263.14319	4.8
263.17987	9.8
265.19528	7.8
271.14655	3.3
272.15497	3.5
273.16360	3.9
275.17999	9.3
277.16022	5.8
277.19409	5.4
279.17514	3.7
279.21066	6.1
281.22574	15.7
284.15546	3.8
285.16431	6.8
287.17850	7.0
289.16113	3.3
289.19479	7.9
291.17532	3.0
291.21204	4.0
293.22711	5.2
295.17038	5.9
297.16275	4.5
299.17926	4.5
300.18732	3.7
301.19534	4.7
303.20880	5.5
305.19061	3.3
305.22467	5.9
307.21130	3.0
309.18747	3.3
313.19235	3.6
315.21051	3.9
317.18991	3.9
319.24045	3.7
325.19287	3.4
329.22522	5.4
333.22211	3.7
351.23270	7.8
357.25677	3.6
369.24472	3.1
383.27426	3.8
433.26959	3.7
464.28635	7.7
478.04584	3.1
525.37335	50.0
526.37689	7.9
527.31403	10.6
535.35632	10.0
539.31396	10.4
549.37518	3.1
553.36731	13.9
567.38361	5.0
577.36719	35.3
595.37756	100.0
596.37952	14.7
613.38800	94.1
614.39001	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.8
54.18876	3.9
55.01855	3.6
55.05514	26.7
57.07076	6.5
67.05511	42.2
69.03416	5.7
69.07072	39.3
71.04976	3.4
71.08629	5.1
79.05479	23.5
81.07062	40.6
82.68268	3.3
83.04990	33.5
83.08616	12.6
89.06032	18.2
91.05474	34.7
93.07052	53.2
93.85099	3.4
95.04968	14.3
95.08608	69.8
97.06524	6.0
97.10150	3.8
98.22989	29.8
105.07040	47.7
107.04914	3.8
107.08580	31.9
109.06493	5.5
109.10160	25.2
111.04431	15.3
111.08080	17.4
117.07018	25.2
119.08598	49.7
121.06498	8.5
121.10138	26.1
123.08076	9.3
123.11689	11.1
125.06055	3.8
125.09631	4.1
128.06227	5.1
129.07025	23.4
131.08569	33.9
133.06520	7.1
133.08614	9.0
133.10139	39.0
135.08067	5.8
135.11691	11.7
137.05995	4.8
139.07544	15.4
141.06975	7.9
141.08975	4.1
142.07799	13.5
143.08568	25.9
144.09277	5.2
145.10135	48.8
147.08005	5.4
147.11705	22.5
149.09689	3.6
149.13272	7.4
154.07834	3.8
155.08562	22.7
156.09329	13.1
157.10139	37.0
158.10867	4.1
159.08066	5.5
159.11697	28.7
161.09630	4.5
161.13200	6.7
163.07623	4.2
165.06979	6.0
166.07735	4.5
167.08560	14.2
168.09285	6.7
169.10136	30.3
170.10938	7.8
171.07967	7.5
171.11705	39.6
173.09592	9.4
173.13272	17.7
175.11234	7.2
176.14326	7.3
177.11232	4.9
179.08559	14.3
180.09248	5.4
181.10165	19.1
182.10873	5.7
183.11658	30.5
184.12465	4.4
185.09610	6.7
185.13226	25.5
187.11198	5.6
187.14847	11.5
189.12642	4.9
192.09302	7.3
193.10135	18.1
194.10901	9.1
195.11684	21.6
196.12415	10.4
197.09601	9.0
197.13246	23.3
198.13824	3.8
199.11192	12.4
199.14786	22.0
201.12741	7.1
201.16406	6.6
201.62602	3.8
202.15875	28.9
203.14507	5.4
203.16263	23.0
205.10152	9.0
206.10876	5.7
207.11728	17.5
208.12349	8.5
209.09579	4.8
209.13289	18.9
211.11176	6.0
211.14822	15.1
213.12650	8.0
213.16380	7.8
215.14281	5.9
217.10172	6.5
217.12097	3.8
219.11847	8.4
220.12445	5.1
220.16934	27.6
221.13278	16.0
221.17354	24.2
223.11308	5.7
223.14870	11.3
225.12724	9.1
225.16328	5.0
227.10715	4.4
227.14366	8.3
231.11723	5.3
233.13286	9.7
233.15469	5.3
235.11223	5.2
235.14723	10.7
237.12697	8.6
237.16412	11.7
239.10721	5.0
239.14279	9.0
239.17928	6.3
241.15834	4.9
241.19447	5.3
243.11745	4.4
243.13878	4.9
244.12506	7.1
245.13202	7.2
245.15440	12.5
247.14824	10.9
249.16386	6.0
251.14345	5.6
251.18022	7.4
255.13748	8.6
257.15427	6.8
259.14905	7.6
261.16400	5.9
263.14343	6.3
263.17966	6.4
265.15823	7.5
267.17395	14.8
267.72104	4.2
269.13080	6.0
269.19006	7.6
271.14792	6.4
273.16263	6.3
275.17804	4.4
277.15884	7.1
281.19016	4.3
283.14566	5.7
293.15378	5.9
295.17017	7.8
300.13626	16.4
301.13947	13.9
305.15579	4.6
307.16837	5.0
311.17703	4.2
313.18118	6.6
327.19885	5.9
331.16843	7.4
339.59662	4.1
345.18405	5.6
349.21494	7.7
351.23138	14.6
353.22147	4.7
369.24484	6.9
395.14478	4.8
399.23318	4.6
406.35361	3.8
415.26401	7.4
427.26889	4.4
481.31622	4.4
493.31152	7.8
511.32028	7.6
513.30048	7.2
521.30450	4.4
522.35327	3.9
539.31433	14.3
549.37213	21.6
553.20618	7.2
557.32489	10.7
559.36029	4.7
567.38251	30.8
569.36188	14.3
577.36627	25.1
595.37860	66.6
596.37970	11.2
613.22961	5.4
613.39380	100.0
614.38910	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.5
53.90908	3.6
55.01898	3.3
55.05517	45.2
57.03428	4.6
57.07062	7.0
65.03953	4.0
66.24659	3.7
67.05505	71.5
69.03431	6.0
69.07075	60.9
71.04989	7.7
76.80973	4.1
79.05499	41.4
80.15221	3.3
81.07059	65.6
83.04996	49.3
83.08621	20.7
84.04519	4.2
85.06545	4.7
87.04474	6.2
89.06039	50.1
91.05473	53.5
92.62077	3.8
92.62751	3.9
93.07049	75.9
94.07405	4.2
95.04973	15.6
95.08611	85.9
97.06535	6.9
97.10168	7.9
98.22562	8.9
98.23248	19.2
105.07040	57.2
107.04912	6.8
107.08585	40.7
109.06540	10.1
109.10165	35.1
111.04424	28.6
111.08070	30.6
113.05988	4.2
115.05439	12.0
117.06316	4.0
117.07009	25.9
119.08585	67.3
121.06512	11.0
121.10152	36.8
123.08065	13.4
123.11712	11.5
125.05910	4.0
125.09637	6.9
128.06216	13.0
129.07022	34.1
130.07771	4.6
131.08585	34.3
133.08615	32.5
133.10124	44.9
135.08055	5.8
135.11674	15.7
137.09587	6.5
139.07532	15.8
141.07025	13.8
141.09074	5.9
142.07785	12.5
143.08571	49.5
145.06519	8.2
145.10121	50.0
146.08125	5.2
146.10883	7.8
147.08035	13.2
147.11674	38.8
149.09686	4.8
149.13234	8.5
153.07004	4.7
154.07762	7.9
155.08533	31.5
156.09338	18.8
157.10132	60.7
158.10899	7.8
159.08064	10.0
159.11703	38.8
160.12137	4.2
161.09596	10.0
161.13246	15.8
163.11227	5.1
163.14738	4.2
165.07063	13.6
166.07828	7.9
167.08571	17.7
168.09360	9.1
169.10126	38.6
170.10869	8.4
171.08051	7.8
171.11716	39.9
173.09637	9.4
173.13277	16.9
175.07529	6.4
175.11163	10.6
177.11205	10.6
178.07753	6.0
179.08562	17.4
180.09267	7.5
181.10095	33.6
182.10901	9.8
183.11688	40.3
184.12492	6.6
185.09648	8.9
185.13254	32.8
186.14020	5.0
187.11179	11.5
187.14833	17.9
189.12758	8.6
192.09348	9.4
193.10263	19.9
194.10873	8.4
195.11623	28.5
196.12373	10.5
197.09651	15.6
197.13281	35.2
199.11166	10.8
199.14815	27.2
201.12708	9.3
201.16388	9.6
204.09428	4.7
205.10239	9.5
205.12158	5.8
206.10934	7.3
207.11713	22.7
207.13492	4.6
208.12457	7.0
209.09630	5.0
209.13272	22.8
210.10370	4.6
210.13747	6.8
211.11238	10.1
211.14751	19.9
213.12819	8.3
213.16399	11.4
215.10698	4.6
215.14349	8.0
215.18048	4.3
216.09361	4.2
217.10234	8.0
217.12233	7.1
218.10970	4.7
219.11705	17.3
219.13716	3.9
221.13239	27.2
223.11143	6.4
223.14830	15.8
225.12805	7.1
225.16341	9.7
227.10678	4.5
227.14337	11.1
227.17853	5.9
229.10258	6.2
231.11821	9.9
231.13881	8.0
233.13409	18.5
233.15393	6.2
234.13911	5.1
235.14838	14.8
237.12868	6.7
237.16418	16.4
239.14377	10.0
239.17905	7.7
241.16022	4.9
241.19522	4.7
243.17519	3.9
245.13200	9.8
245.15416	18.8
247.14812	13.1
249.12692	8.0
249.16330	17.3
250.16945	4.2
251.14363	7.2
251.18001	11.8
255.13948	6.6
257.13129	10.0
257.15408	11.1
259.14868	7.6
261.16422	9.8
261.22055	4.5
263.14233	8.6
263.17834	7.9
265.15994	6.2
265.19403	6.1
267.17444	15.5
269.12973	6.9
269.15607	7.9
269.18777	7.0
270.13901	6.6
271.14636	7.4
273.16306	12.2
275.17838	5.6
277.15894	12.2
277.19400	6.1
281.15634	5.6
283.17322	6.5
285.16174	7.8
287.17636	5.7
295.17081	10.1
297.16010	7.6
299.17816	5.4
303.17447	5.1
303.20837	5.6
305.15350	8.3
305.22562	7.0
307.17172	5.9
311.17618	6.3
313.18222	11.7
315.20770	6.3
317.15192	6.8
327.19852	6.1
329.15341	7.4
331.16879	5.5
333.18301	4.7
333.21805	5.3
335.26205	9.3
339.20895	4.2
345.18408	5.7
347.19769	5.3
349.21542	7.8
351.23157	11.5
356.15845	6.8
359.20053	6.5
367.22852	5.3
371.23203	6.3
373.21179	4.4
389.24957	5.4
399.22940	5.0
401.25024	6.9
415.25610	13.0
427.25986	4.3
439.26141	5.3
481.30579	6.2
493.30988	9.9
496.33237	4.9
507.32657	4.7
511.31705	6.3
513.29883	9.4
521.30219	8.5
539.31207	20.5
549.36987	26.2
551.35583	7.1
557.07257	4.9
557.32977	12.0
559.35461	8.5
567.38538	27.1
568.39307	5.5
569.36084	23.6
577.36688	25.9
578.36542	5.0
585.38641	6.2
595.37811	76.8
596.37622	8.9
613.38849	100.0
614.38806	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.482
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02374	1.5
53.03942	4.2
55.01865	1.4
55.05238	1.4
55.05510	27.6
56.72671	1.1
57.03434	9.8
57.07075	5.9
59.05037	0.9
61.28759	0.8
62.25727	0.8
65.03939	4.1
67.05505	93.1
68.05838	1.1
69.03443	0.9
69.07066	27.0
71.04974	2.2
71.08635	1.9
72.71014	1.0
77.03937	0.9
77.98441	0.8
79.05491	54.0
80.05805	1.2
81.07056	90.6
82.07399	1.6
83.04989	3.1
83.08620	14.1
85.06546	3.0
87.93510	0.9
90.47716	0.8
91.04883	1.9
91.05478	46.6
93.07044	66.8
95.04977	4.5
95.08605	73.6
95.79739	0.9
96.08922	1.5
97.06515	4.3
97.10175	7.2
99.08121	1.7
103.05511	1.2
105.04526	2.0
105.07031	48.7
107.08588	38.3
108.08931	1.6
109.06562	1.2
109.10152	37.5
110.10493	1.3
111.08063	2.5
111.11686	1.7
112.80389	1.0
113.09679	1.1
117.07021	19.5
119.08579	44.6
120.08891	1.1
121.10143	33.0
123.08089	2.6
123.11710	16.6
125.09665	1.5
127.76286	0.9
128.06239	1.8
129.07010	8.4
130.07816	1.9
131.08568	28.3
132.08887	1.1
132.93883	0.9
133.10127	32.2
135.11687	21.0
137.09587	1.3
137.13251	4.0
139.11176	1.3
141.06966	1.6
142.07729	1.4
143.08542	11.1
144.09268	1.6
145.10117	28.5
146.10429	1.2
147.11687	23.9
149.09642	1.3
149.13257	17.0
151.11232	1.1
151.14848	2.4
155.08629	3.1
157.10103	11.1
158.10988	1.3
159.11682	23.2
160.12042	0.9
161.13252	17.2
163.14795	4.8
169.10147	4.0
171.11690	9.3
173.13266	18.9
175.11160	1.5
175.14841	8.9
177.16437	2.7
179.17967	1.1
183.11731	3.7
185.13232	9.0
187.14793	10.7
189.16425	3.8
191.14278	0.9
191.18033	2.2
195.11772	2.2
197.13336	2.6
199.14879	5.1
201.16313	4.9
203.17944	2.4
205.16013	1.6
207.25093	1.0
209.13330	1.0
211.14899	2.1
213.16457	3.2
215.17973	3.4
217.19562	2.8
227.18102	1.6
229.19563	2.1
231.21092	2.0
233.19093	1.0
239.17882	1.2
241.19731	6.1
243.21117	3.4
245.22716	1.2
247.20453	1.2
255.21271	1.6
257.19016	1.8
259.20560	15.9
261.22165	17.7
262.22690	1.1
263.23779	2.2
273.22144	2.5
273.24924	1.0
275.23877	1.4
285.22003	1.8
289.21677	1.1
299.23758	3.5
301.25128	1.6
309.24301	1.3
313.25339	2.3
315.23422	1.2
315.26965	2.1
317.24817	2.0
323.25693	1.1
327.26718	1.8
333.24289	8.0
335.25839	23.2
336.26089	1.3
337.27408	10.5
341.28229	1.3
351.29309	1.0
353.28348	1.2
362.76413	1.1
363.28729	1.3
367.29761	0.9
423.32739	1.0
463.34113	1.3
491.37659	1.6
503.36737	1.7
521.43884	5.6
522.43799	1.5
529.38879	1.3
531.40625	1.2
539.44531	4.1
543.40656	2.7
595.47168	14.1
596.47845	2.5
613.48230	100.0
614.48444	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4823
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02366	1.2
53.03944	4.5
55.01879	3.5
55.05516	29.7
57.03437	9.9
57.07075	6.6
60.22040	1.0
63.96719	0.9
65.03944	4.5
67.05504	94.4
68.05840	1.5
69.07067	27.9
70.57826	3.2
71.04993	1.9
71.08639	9.3
79.05494	55.3
79.05964	2.7
81.03431	2.6
81.07056	99.2
82.07388	1.4
83.04996	4.5
83.08622	15.0
85.06555	3.6
89.06081	1.7
91.05476	41.8
92.05804	1.1
93.07044	63.6
94.07392	1.6
95.04990	7.2
95.08605	71.9
95.34726	1.2
96.08947	1.7
97.06550	4.6
97.10161	7.6
99.08082	6.2
100.21280	1.1
103.05508	2.0
105.07034	40.5
107.04951	1.6
107.08595	36.7
109.06561	1.6
109.10154	30.0
111.08050	1.8
113.09653	1.3
117.07018	17.4
119.08578	37.0
119.09438	2.0
121.10141	26.3
123.08107	1.9
123.11703	12.1
125.09684	1.5
128.06241	1.3
129.07005	7.6
131.08575	26.0
133.08636	1.4
133.10124	27.1
133.11043	1.9
135.11691	19.0
137.06024	2.9
137.09695	2.2
137.13274	5.1
141.07043	2.2
142.07828	1.0
143.08546	8.7
145.10118	21.7
146.10544	1.3
147.11681	22.5
147.12749	1.8
147.76791	1.0
149.09557	1.6
149.13237	13.7
151.11223	3.6
151.14842	2.0
155.08611	3.1
156.09358	1.3
157.10092	9.3
159.11682	20.5
161.13271	16.4
163.11238	1.6
163.14870	5.7
169.10173	2.4
171.11690	9.1
173.13258	12.3
175.14830	7.3
177.12735	1.5
177.16374	2.0
179.14316	17.8
181.10118	2.2
183.11742	3.2
185.13268	6.6
187.14847	6.7
189.16441	2.3
191.14401	1.6
191.17981	1.4
195.11752	1.3
197.13274	1.8
199.13315	1.1
199.14818	5.3
201.16466	3.9
205.23921	1.1
211.14796	1.8
213.16452	3.0
215.17941	2.5
223.14969	1.5
229.19542	1.8
231.21077	2.9
239.18134	1.8
241.19598	5.0
243.21237	3.1
245.22723	2.4
257.19119	1.0
259.20621	11.2
261.22156	11.0
262.22626	1.7
262.75616	1.0
263.23880	2.4
273.22150	2.2
275.23801	1.3
277.18417	2.0
277.21606	13.1
279.23114	1.4
285.22290	1.4
287.23630	1.4
295.22733	1.2
301.25342	1.2
315.23236	1.3
315.26822	1.5
317.25012	2.9
319.23138	1.1
321.24063	1.2
327.26901	2.2
333.24319	5.9
335.25760	17.4
336.26236	2.6
337.27359	9.3
355.30081	1.4
503.37198	2.0
521.43329	6.5
529.39008	1.6
531.40295	1.3
539.44537	3.4
543.40692	1.5
557.42706	1.3
595.47144	11.6
596.48285	1.6
613.48254	100.0
614.48608	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4821
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
52.75031	2.0
55.05503	17.0
57.03434	8.0
57.07067	8.6
58.19077	1.8
65.03944	2.2
67.05502	48.7
68.05836	2.1
69.07062	19.2
71.08617	3.1
79.05488	29.7
81.07054	48.6
83.04997	2.3
83.08629	13.5
85.06534	3.8
85.10181	2.9
89.06052	5.1
90.08821	2.1
91.05466	26.5
93.07042	36.6
95.04961	2.0
95.08607	39.3
97.06519	2.8
97.10186	6.2
103.05457	2.1
105.07036	31.0
107.08588	22.1
109.06518	4.5
109.10155	20.6
115.05436	2.5
117.07021	14.4
119.08588	29.1
121.10136	15.7
123.11721	5.8
129.07036	5.5
131.08546	22.6
133.08583	3.7
133.10107	19.9
135.11705	9.2
137.05972	4.4
137.13261	2.8
143.08582	9.3
145.10095	23.9
147.08145	2.3
147.11685	14.6
148.11955	2.1
149.13290	5.7
155.08601	4.1
157.10167	9.2
159.11716	15.6
161.13243	5.4
163.14862	3.2
169.10086	4.8
171.11681	9.3
173.13268	15.3
175.14909	5.4
181.10085	3.4
183.11760	3.8
185.13319	5.4
187.14818	7.0
189.16486	2.7
197.13313	4.2
199.14861	5.4
201.16400	4.5
213.16492	3.8
217.19579	3.1
239.17967	3.5
245.22745	2.6
246.46936	2.6
257.22668	2.4
259.20715	3.4
261.22159	4.3
335.25705	3.7
337.27463	4.0
355.15225	3.0
470.33719	3.2
521.43555	6.2
539.44202	4.4
543.40540	3.2
577.46161	2.9
595.47314	8.7
596.47540	3.0
613.39917	7.5
613.48285	100.0
614.48846	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44893	1.3
55.05522	1.9
57.03429	9.3
61.02950	1.5
69.03416	3.6
69.04475	1.3
71.04996	55.6
71.29656	1.4
72.34501	1.3
73.02921	3.2
75.04472	3.5
80.92746	1.2
81.03416	1.9
82.51609	1.4
83.04976	4.8
85.02908	67.0
87.04465	2.3
87.41759	1.3
93.01686	1.2
95.04960	1.7
97.02892	4.1
101.94942	1.3
107.04948	24.1
111.04472	4.0
119.04934	2.9
121.02913	3.1
121.26436	1.5
127.03899	5.3
129.05481	27.3
147.04471	8.5
147.06546	13.4
149.02344	31.6
153.01831	44.6
153.12747	1.6
167.03403	2.9
172.70235	1.3
183.02948	1.7
195.02859	8.1
197.05931	1.9
215.07048	34.2
242.05772	2.1
243.06549	29.9
243.08856	2.9
244.06868	1.7
271.06021	12.6
272.06519	1.7
285.07645	2.2
289.07068	100.0
290.07397	6.3
301.03513	1.4
321.98322	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44893	1.3
55.05522	1.9
57.03429	9.3
61.02950	1.5
69.03416	3.6
69.04475	1.3
71.04996	55.6
71.29656	1.4
72.34501	1.3
73.02921	3.2
75.04472	3.5
80.92746	1.2
81.03416	1.9
82.51609	1.4
83.04976	4.8
85.02908	67.0
87.04465	2.3
87.41759	1.3
93.01686	1.2
95.04960	1.7
97.02892	4.1
101.94942	1.3
107.04948	24.1
111.04472	4.0
119.04934	2.9
121.02913	3.1
121.26436	1.5
127.03899	5.3
129.05481	27.3
147.04471	8.5
147.06546	13.4
149.02344	31.6
153.01831	44.6
153.12747	1.6
167.03403	2.9
172.70235	1.3
183.02948	1.7
195.02859	8.1
197.05931	1.9
215.07048	34.2
242.05772	2.1
243.06549	29.9
243.08856	2.9
244.06868	1.7
271.06021	12.6
272.06519	1.7
285.07645	2.2
289.07068	100.0
290.07397	6.3
301.03513	1.4
321.98322	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.01877	6.7
57.03444	0.6
66.82077	0.4
69.03429	2.0
69.33809	2.3
69.34219	0.9
71.04999	0.9
77.03901	0.4
79.05489	5.9
81.03403	1.3
84.74894	0.4
85.02908	2.8
91.05476	4.4
95.04979	2.4
97.02888	2.4
99.04456	3.1
103.05467	5.9
105.07030	56.0
106.07379	1.4
107.04964	1.7
109.06529	0.6
115.05451	12.5
117.07029	1.0
118.04149	4.1
119.04970	0.9
121.06517	0.5
123.04433	2.9
129.06923	0.4
131.04939	1.6
132.05733	0.9
133.06490	52.2
134.06810	1.3
135.04408	0.6
137.05925	1.9
139.07498	0.7
140.04716	0.6
143.04971	0.9
143.06023	3.9
145.06488	1.2
147.04465	0.7
147.08063	0.5
149.05991	0.7
151.03996	0.8
153.05478	0.5
155.07030	1.5
157.06435	0.4
159.08006	0.5
160.05167	0.5
161.05977	100.0
162.06293	3.4
162.07442	0.5
163.07510	0.5
165.05460	0.6
167.07053	9.7
172.05191	1.7
173.05930	1.3
173.09520	0.5
175.07510	1.2
177.05478	0.6
178.06291	0.7
179.07050	0.6
180.08638	0.8
181.04935	0.7
181.08647	0.5
183.06528	2.4
187.07535	0.6
189.05460	2.9
191.06992	0.9
193.08601	95.4
194.08929	3.7
197.08160	0.9
200.04678	0.8
203.07109	0.4
205.08556	2.2
206.05725	1.7
207.06432	1.9
207.10130	1.2
211.09682	0.8
218.05724	1.8
219.06503	0.6
221.08086	4.5
225.07587	0.9
233.08084	18.7
234.08411	0.9
235.09639	1.3
239.09053	0.5
251.09094	2.4
253.10715	0.6
263.09167	5.1
281.10217	3.9
289.74603	0.5
369.13303	0.4
417.15253	1.2
476.04709	0.5
479.21289	0.5
507.09750	0.4
543.21582	1.3
561.22913	1.4
579.23907	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89145	1.6
53.03937	2.4
55.05511	83.8
55.22221	1.6
66.88386	1.5
69.78165	5.6
83.04980	100.0
84.05295	2.4
141.05486	5.3
142.27223	1.7
156.90410	1.7
165.17114	1.7
189.09093	3.7
208.08836	2.4
219.08113	3.0
221.05954	2.4
233.09679	2.5
234.06743	2.1
235.07581	4.5
247.07442	3.2
248.08353	2.1
249.05530	4.1
249.09091	3.7
251.07133	4.5
251.10626	2.9
253.08572	2.8
254.05815	3.2
262.06326	3.3
263.07050	3.6
264.07681	8.6
265.05130	2.2
265.08621	4.8
266.05792	3.5
267.06680	4.0
268.07208	2.5
275.07065	2.9
276.07800	1.8
277.04916	2.6
277.08652	5.8
278.05359	1.7
279.06708	3.9
279.10175	8.7
280.07217	3.3
281.08142	6.2
283.06033	3.3
284.06619	2.2
291.06470	6.0
292.07401	5.1
293.08041	5.1
294.08795	3.0
295.06219	2.7
295.09665	2.2
296.06830	3.9
300.06015	3.6
303.06516	3.0
304.07385	2.5
305.08011	3.9
306.08813	3.5
307.06284	2.2
307.09674	11.6
308.06708	4.3
308.10034	2.5
309.07510	6.1
309.10855	2.4
311.05746	2.4
311.09262	3.9
311.12775	3.8
313.07065	5.6
315.08698	10.6
320.06723	4.5
321.07495	6.4
322.08295	7.1
323.09116	6.9
324.06442	2.2
324.09845	2.3
325.06985	4.5
325.10678	2.3
326.07922	4.6
328.09381	5.7
329.09988	3.8
335.09152	15.8
336.09970	5.8
337.06992	3.7
337.10611	15.0
338.11310	3.1
339.08600	7.9
339.12106	3.6
340.09036	3.1
341.10172	24.9
342.11139	1.8
343.11816	3.5
349.07071	2.4
350.07770	2.2
351.08514	5.5
352.09512	4.7
353.10214	4.3
354.10895	4.7
355.11746	9.6
357.09747	4.6
364.09506	2.2
365.09845	8.0
366.10968	3.3
367.07941	3.5
367.11813	39.9
368.12283	4.6
369.13214	23.5
379.11826	7.6
382.10593	3.9
385.12720	5.5
397.12811	62.9
398.13223	6.9
415.14041	3.6
440.14468	4.6
444.36316	1.9
497.17984	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.05273	2.8
55.05512	39.3
56.49103	1.7
56.77774	1.8
57.11118	1.7
63.31717	1.9
69.07059	1.9
69.51408	1.8
70.06606	2.1
72.67206	2.2
80.34450	1.8
81.63620	2.1
83.04984	50.8
88.07628	2.0
93.07007	2.3
95.08628	2.3
142.59367	1.8
149.02324	4.9
193.04971	3.4
219.07927	1.9
226.06317	3.0
235.07654	2.4
236.08240	2.9
251.06902	3.2
253.08415	2.6
254.05736	5.6
256.26453	3.5
257.04501	3.7
260.08060	2.1
263.07031	4.2
264.07782	3.8
265.05618	2.0
265.08353	4.4
267.06589	2.4
277.08716	3.3
278.05795	2.1
279.06570	3.4
279.10422	2.2
281.07855	2.3
282.05048	2.2
291.06610	2.8
293.08057	4.6
294.08710	2.0
295.05646	2.4
295.09464	2.4
300.06165	11.5
305.07968	3.0
307.06061	3.7
307.09509	4.0
308.06918	2.6
309.07501	6.1
315.08716	14.4
321.07526	5.1
322.08456	10.4
323.05780	2.3
323.08966	12.7
324.09943	3.2
335.05557	2.5
335.09137	3.4
336.06226	3.3
336.09854	3.3
337.07141	3.4
337.10757	5.2
339.12265	3.2
341.10043	2.5
349.07394	2.2
350.07706	7.7
351.08621	16.6
352.09329	3.1
355.11719	7.2
363.45044	2.0
365.10120	7.6
366.10837	7.8
367.08008	2.3
367.11993	3.9
369.13058	2.5
371.14261	3.3
379.11679	4.4
382.10434	12.5
397.12799	100.0
398.13037	7.9
458.69122	1.9
614.33313	7.4
630.11798	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.05511	63.5
56.05857	1.2
59.13713	0.9
69.07362	7.7
69.07766	2.2
69.76498	1.1
73.06546	1.3
79.05482	1.8
83.01335	3.1
83.04980	100.0
84.05316	2.3
91.05471	1.5
93.07054	1.2
98.27972	1.0
108.05775	1.0
113.06006	1.3
119.08568	1.4
121.06519	3.0
123.08121	1.3
141.09129	2.3
145.06425	1.4
151.07506	1.6
153.09105	1.7
165.07054	1.2
169.08694	1.7
173.06085	1.3
175.03967	1.3
179.08667	1.3
179.85280	1.2
190.07845	1.7
203.06987	1.8
207.08092	2.2
211.07391	1.1
213.05429	3.0
218.10895	1.5
219.08171	1.9
221.09508	1.1
223.07462	1.1
226.06238	2.2
227.07024	2.4
231.03180	1.3
231.11781	2.6
233.09608	2.9
235.07593	1.2
237.09100	1.6
239.07037	3.1
240.07780	2.8
241.08521	2.5
245.09688	2.2
246.10350	1.3
248.08032	1.3
249.09248	1.2
251.06984	3.2
253.04916	3.0
253.08536	1.8
255.06506	2.9
259.07486	1.5
259.11197	2.1
261.09021	2.2
261.12790	1.4
262.06305	3.6
262.10016	1.2
263.07062	7.2
263.10641	2.4
264.07703	2.2
265.04950	1.5
265.08606	5.3
266.05865	1.2
267.06509	5.2
272.08386	1.2
273.09180	1.8
274.09964	2.1
275.07074	2.1
275.10754	1.5
276.07925	4.0
277.08588	6.4
277.12228	2.6
278.09299	2.4
279.06851	2.2
279.10184	3.8
280.10660	1.7
281.08057	10.0
283.09808	3.0
287.06876	2.1
288.07791	1.6
289.08560	5.1
289.11923	2.1
290.09256	8.1
291.06894	2.6
291.10092	23.3
292.07605	2.0
292.10886	9.1
293.08069	2.5
293.11765	4.4
295.05991	6.5
295.09317	1.8
299.10538	1.7
302.09387	2.7
303.06992	1.3
303.10129	6.3
303.13538	1.9
304.10852	3.0
305.08017	5.0
305.11371	2.3
306.08438	2.0
307.05975	1.4
307.09573	2.9
307.13098	2.3
309.07544	2.4
313.12350	1.5
315.10052	3.0
316.10886	1.9
317.08011	3.6
317.11743	10.7
318.08777	3.6
318.12378	3.3
319.09616	4.5
319.13306	5.4
320.10458	3.6
321.07584	1.7
321.11115	3.3
322.11877	3.0
323.09134	1.6
323.12711	2.7
328.11063	1.6
329.11758	2.2
330.08829	2.8
331.09686	2.9
332.10385	2.1
333.11087	8.2
334.11874	3.1
335.09247	2.2
335.12753	10.0
336.13474	1.8
337.10782	1.6
343.13248	2.9
344.10257	2.0
345.11285	11.3
346.11868	4.1
347.12805	8.8
348.13629	1.6
349.10571	1.7
349.14279	1.8
359.12704	3.0
360.13538	1.2
361.10477	1.5
361.14328	3.3
363.12241	11.4
365.14026	11.2
371.12744	3.6
377.13910	3.6
379.15491	8.7
387.12201	4.7
389.13809	4.5
391.11615	5.9
395.14825	19.6
396.15421	1.4
403.15433	11.1
405.13232	2.7
409.12860	1.5
419.14822	4.9
421.16406	18.7
423.14240	21.7
424.14728	1.6
437.15857	3.2
447.14398	2.7
465.15305	7.1
477.18988	4.3
479.16791	1.9
558.55115	1.3
597.75385	1.5
614.33112	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.05511	77.1
56.05853	1.5
58.33678	1.3
59.04994	1.9
60.80604	1.2
67.05508	2.8
81.07051	2.3
83.01315	2.1
83.04979	100.0
91.05495	2.7
93.07045	1.7
95.04972	2.3
105.07023	2.0
112.37896	1.4
119.08528	1.7
123.08038	3.4
128.06206	2.1
129.05460	2.3
131.08493	1.8
133.02792	1.8
133.35292	1.2
135.08122	1.2
139.07494	1.5
141.05501	1.7
141.09053	1.8
145.06471	1.8
151.07504	2.3
153.09047	2.7
159.11694	1.2
167.08493	2.1
175.03894	2.2
179.08574	1.9
186.49045	1.3
199.07190	1.3
202.53949	1.3
203.06941	3.1
213.05421	5.9
215.06943	2.1
219.08109	2.4
221.09756	2.3
223.07600	2.1
225.09180	1.7
226.06229	3.4
227.06992	2.9
233.13371	1.6
239.07010	3.5
245.09660	1.9
246.10353	1.4
249.05429	1.5
249.09210	2.1
251.06993	2.4
252.07770	2.3
254.05705	1.4
255.06541	3.0
259.11139	2.8
261.09073	3.4
262.06262	3.2
263.07007	5.1
263.10349	1.2
264.07837	4.3
265.08585	4.3
266.05679	2.2
267.06497	3.6
268.07361	1.9
271.09665	2.7
273.09036	1.4
273.12436	1.8
275.07089	1.7
276.07788	3.1
277.08560	5.9
279.06400	3.8
279.10199	4.3
280.07361	1.4
281.08112	9.2
283.06866	1.5
283.09586	9.9
287.10483	1.7
289.08521	4.1
290.09259	5.5
291.10074	7.1
292.07477	2.0
292.10895	4.4
293.08118	4.3
293.11462	2.4
301.08398	2.4
302.09256	2.2
303.06586	1.6
303.09964	2.9
304.07169	1.8
305.07990	8.7
305.11691	3.4
306.08945	3.1
307.06177	1.5
307.09579	5.6
307.13034	1.8
309.11404	1.6
315.09882	1.5
316.10889	1.7
317.08023	3.6
317.11697	5.3
318.08749	2.8
318.12262	2.8
319.09622	3.7
319.13232	3.2
321.07501	2.9
321.11035	2.2
322.08380	2.0
323.09085	2.4
323.12396	2.6
329.11624	2.8
330.08768	3.0
331.09668	3.5
331.13300	1.9
332.10468	3.2
333.07559	3.8
333.11169	5.4
334.08231	1.8
334.11871	1.4
335.09027	3.4
335.12659	5.5
337.07092	2.3
337.10788	5.3
339.12381	2.4
341.10364	3.0
343.09265	1.7
343.13226	2.3
344.10269	1.8
345.11243	10.1
346.11761	2.5
347.09039	2.4
347.12759	6.2
349.10626	2.2
349.14340	1.9
355.11813	1.9
359.12839	4.6
360.13425	2.2
361.14392	4.9
363.12225	6.5
364.08844	1.6
365.10016	3.5
365.13947	4.5
367.11667	6.8
369.13116	2.5
371.12860	2.5
376.12973	1.8
377.13712	5.1
379.11172	1.8
379.15369	5.7
380.15622	1.6
385.13077	1.6
387.12369	3.5
389.13882	5.4
391.11249	3.1
391.15701	2.1
395.14871	22.3
396.15366	2.6
397.12808	14.2
403.15298	5.1
405.13446	3.6
419.14734	5.0
421.16345	9.8
423.14188	8.9
426.08209	1.4
437.15988	3.9
447.14468	10.9
448.14822	2.3
465.15186	4.0
477.18927	7.5
596.38342	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
57.03438	0.5
59.20096	0.3
61.02913	0.4
67.05505	0.7
69.03425	3.6
71.05005	0.6
73.02921	0.5
79.05497	0.9
81.03389	0.4
81.07050	1.1
83.05002	0.4
85.02911	3.0
87.04468	0.7
90.22067	0.4
91.05488	0.5
93.07027	0.6
95.04961	0.8
95.08621	0.5
97.02893	1.3
97.06512	0.8
98.23344	0.8
105.07024	1.1
107.04916	0.5
107.08580	0.5
109.06502	0.7
111.08128	0.4
113.02377	0.9
113.06029	2.9
115.03946	0.5
115.05444	0.6
117.07020	0.9
119.08611	0.5
123.04401	0.8
123.08051	0.8
125.00901	0.3
125.05997	0.4
127.07563	1.8
128.06239	0.7
129.07025	1.0
131.08557	1.3
133.06511	0.6
133.10048	0.5
135.08009	0.5
137.05994	2.0
139.07549	0.6
141.06996	0.7
142.07718	0.5
143.08572	1.7
145.04875	0.4
145.06493	1.5
147.08009	1.0
151.07587	0.7
153.05472	0.5
153.12764	0.5
155.06996	1.1
157.06464	0.9
157.10129	0.5
158.07208	0.8
159.08075	3.7
159.11783	0.4
161.09637	0.9
163.07530	0.4
165.09108	0.8
167.07004	0.9
169.06555	0.4
169.10150	1.0
171.08073	1.3
172.08813	0.6
173.05968	0.9
173.09563	1.8
175.07576	1.3
175.11128	0.4
176.08318	0.4
177.09117	0.8
179.07051	0.6
179.08533	0.3
181.08597	0.6
181.10075	0.7
183.06537	0.6
183.08121	0.5
185.09641	0.8
187.07553	4.0
187.11165	1.0
188.08266	2.0
189.09100	5.1
190.09909	0.5
191.06987	0.4
191.10632	0.5
192.07713	0.4
193.08566	0.6
199.07523	1.7
199.11198	0.6
200.08287	0.6
201.09146	1.5
201.12749	0.8
202.09883	15.2
203.07034	3.9
203.10583	2.7
204.07751	0.8
204.11453	4.7
205.08549	1.4
206.09462	0.6
209.09627	0.7
211.11107	0.7
213.09154	0.6
214.09883	2.8
215.07060	2.0
215.10585	0.8
217.08620	3.0
217.12128	0.4
218.09378	7.3
219.10074	1.5
220.10823	0.6
220.49713	0.3
221.11613	0.5
227.10760	1.0
230.09349	1.3
232.10909	1.2
233.08070	0.7
233.11696	3.8
235.09514	0.5
235.13222	3.0
239.14468	0.3
245.11703	3.9
248.10443	0.6
253.12308	0.5
263.12781	100.0
264.13104	5.8
267.13742	0.7
281.11258	0.5
281.13858	4.0
282.13971	0.5
289.07104	0.5
290.06644	0.3
303.04922	0.5
304.05353	0.9
341.83136	0.4
423.21588	0.9
433.20044	0.4
451.20950	0.8
469.21957	0.8
473.21649	0.4
479.20709	0.5
497.21408	1.3
505.20425	0.7
515.22723	5.4
518.49207	0.3
525.21143	1.5
533.23743	4.9
543.22040	3.5
544.21991	0.6
551.24908	9.8
552.25049	1.2
561.23175	4.2
562.23859	0.6
579.24518	1.8
614.27777	0.6
615.26758	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
57.03438	0.5
59.20096	0.3
61.02913	0.4
67.05505	0.7
69.03425	3.6
71.05005	0.6
73.02921	0.5
79.05497	0.9
81.03389	0.4
81.07050	1.1
83.05002	0.4
85.02911	3.0
87.04468	0.7
90.22067	0.4
91.05488	0.5
93.07027	0.6
95.04961	0.8
95.08621	0.5
97.02893	1.3
97.06512	0.8
98.23344	0.8
105.07024	1.1
107.04916	0.5
107.08580	0.5
109.06502	0.7
111.08128	0.4
113.02377	0.9
113.06029	2.9
115.03946	0.5
115.05444	0.6
117.07020	0.9
119.08611	0.5
123.04401	0.8
123.08051	0.8
125.00901	0.3
125.05997	0.4
127.07563	1.8
128.06239	0.7
129.07025	1.0
131.08557	1.3
133.06511	0.6
133.10048	0.5
135.08009	0.5
137.05994	2.0
139.07549	0.6
141.06996	0.7
142.07718	0.5
143.08572	1.7
145.04875	0.4
145.06493	1.5
147.08009	1.0
151.07587	0.7
153.05472	0.5
153.12764	0.5
155.06996	1.1
157.06464	0.9
157.10129	0.5
158.07208	0.8
159.08075	3.7
159.11783	0.4
161.09637	0.9
163.07530	0.4
165.09108	0.8
167.07004	0.9
169.06555	0.4
169.10150	1.0
171.08073	1.3
172.08813	0.6
173.05968	0.9
173.09563	1.8
175.07576	1.3
175.11128	0.4
176.08318	0.4
177.09117	0.8
179.07051	0.6
179.08533	0.3
181.08597	0.6
181.10075	0.7
183.06537	0.6
183.08121	0.5
185.09641	0.8
187.07553	4.0
187.11165	1.0
188.08266	2.0
189.09100	5.1
190.09909	0.5
191.06987	0.4
191.10632	0.5
192.07713	0.4
193.08566	0.6
199.07523	1.7
199.11198	0.6
200.08287	0.6
201.09146	1.5
201.12749	0.8
202.09883	15.2
203.07034	3.9
203.10583	2.7
204.07751	0.8
204.11453	4.7
205.08549	1.4
206.09462	0.6
209.09627	0.7
211.11107	0.7
213.09154	0.6
214.09883	2.8
215.07060	2.0
215.10585	0.8
217.08620	3.0
217.12128	0.4
218.09378	7.3
219.10074	1.5
220.10823	0.6
220.49713	0.3
221.11613	0.5
227.10760	1.0
230.09349	1.3
232.10909	1.2
233.08070	0.7
233.11696	3.8
235.09514	0.5
235.13222	3.0
239.14468	0.3
245.11703	3.9
248.10443	0.6
253.12308	0.5
263.12781	100.0
264.13104	5.8
267.13742	0.7
281.11258	0.5
281.13858	4.0
282.13971	0.5
289.07104	0.5
290.06644	0.3
303.04922	0.5
304.05353	0.9
341.83136	0.4
423.21588	0.9
433.20044	0.4
451.20950	0.8
469.21957	0.8
473.21649	0.4
479.20709	0.5
497.21408	1.3
505.20425	0.7
515.22723	5.4
518.49207	0.3
525.21143	1.5
533.23743	4.9
543.22040	3.5
544.21991	0.6
551.24908	9.8
552.25049	1.2
561.23175	4.2
562.23859	0.6
579.24518	1.8
614.27777	0.6
615.26758	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	26.7
67.05502	3.1
69.40735	10.0
73.28650	1.8
81.07047	5.2
83.04984	26.6
93.07040	3.6
95.08615	3.1
105.07032	2.2
133.08589	2.6
143.08615	2.0
145.10156	1.9
162.99242	2.1
165.07022	3.8
179.08594	2.2
182.07286	5.6
192.28548	1.7
197.09668	6.7
198.97464	2.7
203.10718	5.5
210.06731	9.8
225.09125	23.1
238.06322	5.9
239.07108	1.7
240.07825	2.7
251.07079	2.6
252.07864	2.1
253.08598	24.9
266.05762	3.7
267.10196	2.2
268.07251	4.4
270.08716	3.1
278.09317	2.3
281.08063	47.5
282.08432	3.9
283.06155	1.8
283.09650	6.5
285.04041	3.2
285.07434	2.0
285.11118	2.7
296.06802	2.9
298.08316	3.7
300.06253	2.1
307.09558	2.1
311.09167	26.0
312.09552	2.2
313.07401	3.5
313.10730	10.9
315.08630	8.7
317.06622	2.4
319.09775	2.9
321.11215	4.2
328.09448	3.4
343.11774	100.0
344.12048	7.7
351.12180	6.1
352.12738	2.7
383.14819	18.3
425.15649	5.0
462.40402	1.9
511.68158	2.3
529.25439	2.0
540.69843	2.0
577.13800	1.8
615.29053	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40857	0.8
53.03937	2.1
55.05509	88.2
56.05843	1.4
58.70166	0.7
61.76305	0.6
67.05507	1.0
69.03422	1.4
69.77952	2.9
75.37946	0.8
79.05506	2.1
81.07053	14.6
83.04978	100.0
84.05309	2.2
91.05463	1.0
93.07056	1.6
95.08607	4.9
97.06500	1.2
99.04460	2.1
102.11073	0.7
105.07035	2.4
107.08600	1.9
109.06518	9.4
111.04416	0.9
112.02522	0.8
119.08575	0.9
121.06519	1.3
123.08086	4.2
128.06226	1.4
129.06989	0.8
131.08553	1.3
133.06532	1.1
135.08035	1.2
137.05977	20.9
138.36099	0.7
141.07013	0.8
143.08548	1.5
144.05759	0.8
145.06506	1.7
147.08041	2.3
151.07521	1.9
154.07669	0.8
155.08519	1.7
158.73332	0.8
159.08060	1.3
161.09610	1.5
165.07024	0.7
167.08583	1.8
169.06464	1.6
169.10068	0.8
171.08029	3.9
173.09636	3.6
175.07570	1.0
178.07869	0.8
179.08501	1.0
180.09343	0.9
181.06525	1.3
181.10109	1.3
182.07309	1.1
183.08055	3.1
185.06026	0.8
185.09604	1.6
187.07626	1.1
193.10146	1.4
194.07285	0.7
194.10852	0.8
195.08089	2.7
195.11685	1.4
196.08797	1.6
197.09615	1.8
199.11266	0.8
201.09035	1.1
203.08478	1.0
204.09229	0.8
207.08022	1.8
207.11693	1.7
208.08913	0.8
209.09639	3.4
209.13347	0.9
210.10397	0.9
211.11176	3.0
213.09007	0.9
217.10156	2.0
218.10669	0.8
219.08054	1.5
219.11649	1.6
220.08846	1.5
221.09688	5.3
222.10274	1.5
223.11186	2.0
225.09085	1.7
225.12608	1.1
227.14232	0.7
229.10149	1.2
231.07930	0.9
233.09637	1.8
233.13348	1.4
234.10321	1.2
235.11192	6.0
236.11980	3.8
237.09114	1.8
237.12772	3.5
238.09746	1.0
238.13539	0.8
239.10687	2.1
239.14316	1.4
245.09674	2.0
245.13190	0.7
246.10347	3.5
246.13939	0.9
247.11197	3.3
248.08505	1.0
249.09276	2.8
249.12738	1.4
250.09781	0.7
251.10574	1.6
251.14392	1.8
253.12190	1.7
259.11237	2.0
260.11868	1.0
261.12790	2.1
263.10703	6.6
263.14304	1.7
264.11438	11.1
265.12244	3.3
265.15900	5.1
267.10107	1.0
267.13864	1.6
273.12842	1.4
275.14249	4.8
276.14758	1.2
277.12152	1.3
278.13022	1.1
279.13724	1.6
280.14471	1.4
281.11737	4.3
281.14984	1.1
282.12558	4.0
283.13300	1.9
283.16565	0.8
285.12836	1.2
287.14206	0.9
289.12363	1.0
291.13809	1.6
291.17380	0.9
292.14474	0.9
293.15314	8.5
294.15924	1.3
295.13217	1.3
303.13812	2.9
304.14606	1.2
305.11942	1.9
306.12625	1.8
307.13409	1.2
309.11334	0.9
309.14868	2.1
309.18323	1.6
311.16464	4.8
321.14767	10.5
322.15353	1.0
323.12885	1.4
324.13440	1.4
333.14914	1.2
335.16449	2.6
339.16022	3.0
345.14603	1.1
347.01221	0.8
351.15921	1.9
353.17526	8.8
355.16782	1.3
359.16632	0.9
363.15924	2.3
369.17239	1.7
371.18649	2.9
373.18182	3.7
375.19580	2.3
381.13000	1.3
381.17072	10.8
382.17517	1.2
383.16434	2.1
387.18103	1.0
391.18814	4.4
393.20645	2.2
395.18491	1.2
399.17966	4.8
401.17462	21.1
402.17868	2.2
407.60754	0.8
409.20193	3.9
417.20502	3.1
419.18475	63.2
420.18832	6.4
435.21799	5.9
437.19534	28.6
438.19870	3.6
443.18564	4.6
451.21390	2.1
455.20734	8.2
456.21149	1.1
461.19534	14.3
462.19803	1.9
479.20648	18.4
480.21149	2.8
481.21988	1.7
497.21552	5.3
499.23114	7.1
500.23776	1.1
501.22681	2.7
519.23615	2.8
551.26392	1.1
579.25842	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01873	3.4
55.05502	2.1
57.03435	22.7
59.04999	4.4
61.02927	3.1
63.91180	1.5
67.05502	3.1
69.03429	65.2
69.07064	10.2
69.30692	5.5
69.31100	5.2
71.01359	2.3
71.04992	21.0
73.02917	8.7
73.06550	2.5
75.04473	2.3
79.05495	5.0
81.03409	5.7
81.07043	14.0
83.04986	2.4
83.08625	3.4
85.02901	59.5
86.03251	3.5
87.04467	39.2
91.03979	1.7
91.05473	4.5
93.07042	15.4
95.04958	4.0
95.08617	3.9
97.02888	61.4
97.06530	4.4
99.04449	2.9
99.47821	1.7
103.03929	3.5
105.07041	3.2
107.04969	2.7
107.08589	10.4
109.02881	3.5
109.06519	1.9
109.10138	3.7
111.04446	5.1
115.03925	67.5
119.08573	3.2
121.10167	1.6
123.04415	4.8
125.13263	2.6
127.03953	12.7
129.05499	2.9
131.08516	2.3
133.04961	82.5
135.11687	16.6
137.02373	2.6
137.05971	3.7
139.03876	3.1
139.11118	1.5
143.08572	1.9
145.04979	13.5
147.04359	2.2
147.08049	1.4
151.03923	1.7
153.01924	1.9
153.12738	100.0
154.13077	3.5
157.04973	6.5
160.53696	1.4
161.05995	1.6
163.06032	5.5
165.12782	2.3
167.07028	5.5
169.04930	2.4
175.06015	3.8
177.12726	2.2
181.04984	5.5
193.04997	2.2
195.06622	2.0
211.06012	5.1
217.06940	1.6
229.07108	13.2
233.08096	2.7
233.11790	1.8
235.09622	2.0
241.07137	2.5
247.08156	8.6
251.09160	1.7
259.08142	9.1
264.16083	2.5
265.09198	19.3
277.09094	2.9
285.16986	4.8
295.10272	14.1
303.05008	15.1
304.05319	22.8
305.05524	17.1
306.05649	14.2
314.48270	1.6
315.18103	4.5
333.18872	2.4
366.16116	1.5
417.15332	4.1
500.61096	1.9
555.22552	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.8
55.05513	8.4
57.03447	6.8
57.07077	3.8
59.04999	9.2
59.29567	0.5
61.02927	2.7
62.07969	0.5
67.05502	1.4
69.03429	7.2
69.07069	67.6
70.07398	1.4
71.01351	0.9
71.04999	2.2
71.08634	2.0
71.28886	0.9
71.29247	0.6
72.65995	0.6
73.02922	9.6
73.06550	2.9
81.03416	1.8
81.07047	1.4
83.08615	2.3
85.02907	18.5
85.10185	1.1
87.04470	1.6
89.06016	0.8
89.39275	0.5
91.03956	0.8
91.26093	0.5
93.07067	0.8
95.08611	1.2
96.76120	0.5
97.02895	12.8
99.04425	0.7
105.05482	0.9
105.07035	0.7
107.08585	0.7
108.35181	0.6
109.02898	2.2
109.10109	1.0
111.11720	100.0
112.12077	2.8
115.03917	5.7
127.03896	4.4
127.11200	1.3
129.12755	40.7
130.13092	0.9
133.04961	6.7
145.04959	5.3
145.10129	0.8
147.11760	0.5
158.25644	0.5
163.06052	1.8
187.16977	3.1
199.16936	50.0
200.17351	1.8
215.16418	26.2
216.16853	0.9
217.17827	0.8
220.01289	0.6
223.06012	0.6
241.07083	0.6
259.08115	0.9
303.21613	2.2
352.79068	0.5
435.34631	0.6
444.47989	0.5
461.55923	0.6
478.23056	0.6
540.48627	0.6
614.26978	1.4
615.33575	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56240	0.5
55.05493	0.6
67.05500	1.1
69.07058	0.9
79.05506	0.8
81.07036	1.3
83.08631	0.4
89.06042	4.1
90.18902	0.4
91.05453	0.6
92.07246	0.5
93.07039	1.5
95.08592	0.9
98.22976	2.5
105.07032	0.8
107.08562	0.7
109.10139	0.5
113.67098	0.5
117.16157	0.4
119.08585	1.3
120.70196	0.4
121.10153	0.8
131.08577	0.7
133.08577	2.5
133.10168	0.7
140.81313	0.7
142.07570	0.6
145.10071	0.6
157.89233	0.5
159.07906	0.5
159.11635	0.5
160.16096	0.4
164.56271	0.4
173.09647	0.5
177.11214	1.4
201.09126	1.3
202.09882	1.3
209.09593	0.6
210.06761	1.0
211.07642	0.8
219.08054	0.5
220.08882	0.6
221.09596	0.9
223.10962	0.5
224.08218	0.7
225.05421	0.6
226.06290	0.6
226.09956	0.5
234.06758	0.7
234.10408	0.8
235.07451	0.6
235.11148	2.0
237.09035	2.1
238.06331	0.6
239.06970	1.0
239.10648	0.7
240.07816	1.0
247.07619	0.6
248.08311	3.1
249.09201	3.1
251.07028	1.2
251.10683	1.9
252.11438	2.0
253.08432	0.8
253.12128	0.6
254.09445	0.7
256.07291	1.2
261.09204	1.2
262.09879	0.6
263.07797	0.7
263.10657	5.5
264.07703	0.5
264.11383	1.7
265.08597	6.9
265.11505	0.7
266.09207	1.4
267.06564	0.8
267.13785	1.6
271.09778	0.9
277.08597	6.2
278.09158	1.4
279.10019	2.4
280.10947	6.6
281.11636	2.7
282.08969	0.9
284.06857	0.9
285.07663	0.9
285.11261	0.6
291.10187	1.6
292.11020	1.6
293.08069	3.4
293.11719	1.6
294.08859	1.6
294.12402	1.3
295.09857	0.9
295.13239	7.7
296.13834	1.4
297.11194	2.3
299.09232	1.8
308.10449	1.5
309.11240	7.3
310.11691	0.8
312.13660	0.7
317.10135	0.8
322.12054	0.6
323.12799	7.5
324.13528	6.2
325.10693	1.9
325.14304	1.4
327.15836	1.1
340.13113	3.3
341.13760	1.2
355.15390	100.0
356.15900	12.9
372.15405	0.5
387.17993	13.5
388.18188	1.0
415.25372	0.7
555.25562	0.9
613.89795	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00569	0.4
55.05507	1.4
67.05508	1.7
69.07060	1.3
69.15427	3.6
75.33158	0.4
79.05495	1.8
81.07062	2.2
83.04984	0.5
83.08617	0.9
89.06038	2.7
91.05464	1.5
93.07044	1.6
93.17677	0.5
95.04986	0.5
95.08615	2.1
97.10139	0.5
98.22807	1.8
105.07037	1.5
107.08590	1.4
109.10193	0.9
117.06992	0.7
119.08602	1.7
121.10152	0.8
131.08575	1.1
133.08603	1.9
133.10129	1.1
143.08516	0.7
145.10136	1.7
147.11693	0.7
157.10281	0.5
159.08070	0.6
159.11734	0.8
163.53372	0.5
167.06975	0.9
169.10143	0.7
171.11652	0.4
173.09634	0.5
177.11244	0.5
179.08548	0.5
181.10197	0.8
201.09119	1.5
202.09856	2.4
207.11745	0.6
208.08797	0.5
209.09709	1.4
210.06723	1.0
211.07552	1.3
212.08260	0.8
219.08066	0.8
220.08804	2.0
221.09663	0.8
223.07481	0.7
223.11230	0.7
224.08224	0.6
225.09119	0.6
226.06146	0.4
228.07840	0.5
231.07909	0.5
233.05890	0.5
233.09648	1.0
234.06870	0.8
234.10373	1.1
235.11143	3.3
236.11967	0.5
237.09071	3.2
237.12775	0.6
238.06389	0.6
239.07062	1.3
239.10548	0.7
240.07814	1.3
241.05049	0.9
241.08688	0.6
243.06654	0.6
247.07631	1.3
248.08322	3.4
249.09163	4.4
250.06482	0.5
250.09575	0.6
251.06854	0.6
251.10730	2.3
252.11453	2.2
253.08609	1.0
253.12180	1.3
254.09349	1.9
255.06702	0.8
256.07330	1.9
257.07993	0.8
261.09140	1.7
262.09915	1.0
263.07339	0.8
263.10666	6.6
264.07889	0.7
264.11401	2.4
265.08588	9.0
265.12283	1.0
266.09247	2.2
266.12967	1.4
267.10342	1.1
267.13803	2.3
269.11658	0.8
271.09613	1.7
277.08606	7.5
278.09232	1.5
279.06927	0.6
279.10159	2.0
280.10934	9.0
281.08356	0.7
281.11664	2.8
282.08878	1.3
284.06839	0.9
285.07556	1.2
287.05524	0.6
287.09131	0.7
291.10181	1.8
292.10892	1.8
293.08084	3.3
293.11774	1.6
294.08856	1.8
294.12393	2.0
295.09949	0.9
295.13242	10.7
296.13947	1.5
297.11295	2.2
299.09143	1.9
307.09613	0.6
308.10272	2.4
309.11188	10.7
309.14490	0.9
310.11859	1.2
312.13718	0.6
313.10754	0.6
317.10379	0.5
323.12762	9.7
324.13507	8.7
325.10660	3.0
325.14328	2.1
327.16003	1.2
340.13083	3.6
341.13751	1.1
346.76001	0.6
355.15396	100.0
356.15952	13.7
357.16864	0.8
387.18005	12.5
388.18491	0.7
415.25317	0.6
503.99249	0.5
614.48877	2.2
615.32642	0.5
623.17749	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18584	4.0
53.03942	6.7
55.05509	35.3
57.03439	19.5
57.07070	7.5
58.72176	4.3
67.05503	79.0
68.05817	5.8
69.06563	49.3
69.07064	39.6
71.08624	4.3
79.05502	38.6
80.05843	6.1
81.03423	100.0
81.07061	91.9
82.07411	5.6
83.04968	9.6
83.08629	31.5
85.06533	5.1
89.06030	36.6
91.05481	39.2
93.07041	31.6
94.07382	4.6
95.04974	26.0
95.08601	56.6
96.08936	7.0
97.06539	6.3
97.10155	11.6
105.07034	38.6
107.04945	5.8
107.08607	26.5
109.06530	8.5
109.10156	24.6
111.08127	7.8
113.22701	5.6
117.07040	7.9
119.08550	29.8
121.10154	24.8
123.11748	12.4
129.07051	10.7
131.07027	5.6
131.08591	18.1
133.08618	17.3
133.10152	18.4
135.11670	11.6
137.13350	6.8
145.10130	11.3
147.11699	22.7
157.10156	11.2
159.11728	10.1
160.12093	4.8
175.11163	10.3
177.11227	6.8
193.12296	22.2
201.16400	5.0
248.02225	4.8
263.23648	7.7
267.15915	99.7
268.16324	8.0
303.26926	5.4
332.27390	5.1
337.27402	79.5
338.27878	7.7
423.19321	4.6
529.38892	70.1
530.39514	10.5
547.39868	16.6
579.30127	5.8
614.48486	28.5
615.38361	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23103	1.1
53.42298	1.4
55.05507	4.4
57.07078	59.2
58.07403	1.2
66.56911	1.1
67.05499	3.6
69.07082	8.4
71.08634	52.7
71.32309	2.4
73.06553	6.5
79.05447	1.5
81.07041	3.0
83.05000	1.5
83.08624	4.4
85.10180	30.4
87.04456	7.6
89.06033	100.0
90.06418	1.2
91.05456	1.6
93.07023	1.9
95.08636	2.7
97.10175	2.3
99.11744	7.1
105.07003	1.9
107.07072	3.0
107.08641	1.6
109.10142	2.5
110.80514	1.1
111.11734	3.9
113.13265	6.2
117.09142	5.3
119.08580	2.2
127.14851	4.0
130.08641	1.9
131.07059	3.2
131.08574	1.4
133.08606	68.5
134.08902	1.8
147.11722	1.5
160.04494	1.4
161.11652	2.0
175.09715	1.4
177.11226	26.6
221.13838	6.4
243.50964	1.2
271.26346	3.4
283.17441	2.0
287.62335	1.2
315.28845	4.1
327.19983	1.5
371.22772	1.5
394.16327	1.6
395.14615	2.0
415.25510	6.5
597.45697	7.4
598.46234	1.8
614.48474	1.9
615.38873	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52268	0.3
71.30364	0.5
91.91718	0.3
95.71740	0.3
123.04460	0.4
126.66861	0.3
137.05963	0.6
147.04492	0.3
149.48660	0.3
167.07047	0.5
181.04941	0.4
225.07809	0.3
234.22382	0.3
268.87851	0.3
271.09592	0.4
345.10864	0.4
587.18610	0.4
615.18274	100.0
616.18549	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2407
Annotation	Buddlenol C
Peak:m/z	Relative Intensity
56.21982	0.4
71.31867	0.5
77.99728	0.4
79.05453	0.4
97.90575	0.5
111.00564	4.3
137.17038	0.4
141.01572	3.4
145.06160	0.4
161.70927	0.4
170.01868	0.7
182.05350	0.4
183.02534	0.7
187.10870	0.4
188.14143	0.4
209.04140	1.4
217.08151	0.4
225.07275	0.5
245.11446	0.5
249.10930	0.9
251.08772	0.6
271.84583	0.4
272.17374	0.4
277.10312	0.5
277.72940	0.5
283.16714	2.0
287.12564	0.9
291.11838	0.5
305.03897	0.5
305.13593	17.8
306.13840	0.5
308.12216	0.6
313.17725	0.5
315.15631	0.5
322.13815	0.9
333.12912	1.8
333.16498	0.6
343.18661	0.6
345.16473	1.0
361.16171	0.5
377.12097	2.3
377.19229	1.5
393.14841	0.6
395.12881	1.5
405.18640	0.5
449.17819	2.7
450.18057	1.0
451.19321	0.5
509.21561	0.6
511.26218	1.6
533.18518	0.5
555.25659	32.5
556.26056	3.3
587.24048	1.3
615.23975	100.0
616.24152	11.8
616.37640	0.8
633.21625	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2774
Annotation	Taxchinin A
Peak:m/z	Relative Intensity
52.39902	0.2
65.57595	0.2
70.45610	0.4
70.45923	0.5
91.05458	0.4
101.89664	0.3
105.07004	0.4
114.46046	0.3
120.01898	0.4
123.04437	0.3
131.04916	0.3
137.05971	0.8
143.08569	0.3
145.66779	0.3
149.02066	0.4
152.64574	0.3
158.66629	0.3
167.07190	0.3
177.05418	0.3
181.04991	1.1
203.07246	0.3
205.08441	0.4
207.20016	0.3
248.17697	0.3
309.61514	0.2
389.15891	0.5
457.22748	0.4
463.24500	1.3
465.22134	0.6
475.24835	1.7
479.24811	0.3
481.25623	3.3
482.25714	0.3
491.23849	0.6
493.25751	2.0
509.25226	1.4
511.26553	2.8
512.27026	0.4
525.20233	0.4
537.24640	4.7
538.24646	0.7
555.25641	100.0
556.25977	11.8
556.34674	0.5
615.18872	3.5
615.27954	24.8
615.42871	0.6
616.28314	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.01873	2.9
55.05512	56.8
56.05842	2.1
60.90854	1.4
67.05506	6.9
69.03439	5.1
69.07063	1.8
71.46633	1.8
79.05120	1.5
79.05486	9.1
81.07055	36.1
83.04979	59.8
91.05466	10.6
93.07041	5.5
95.04983	7.6
95.08610	20.7
96.65195	1.5
97.02901	6.5
97.06557	2.5
99.04457	4.9
103.05479	2.5
105.07014	9.6
107.08593	4.4
109.06516	18.4
111.08112	2.1
115.05482	2.5
117.07038	6.3
119.08589	5.1
121.06533	4.5
123.04416	2.1
123.08053	14.1
125.09648	3.2
128.06233	3.9
129.07010	6.5
131.04941	2.9
131.08592	6.7
133.06480	5.4
133.10129	3.6
135.08084	4.1
137.05975	44.5
137.09605	1.8
141.07001	5.7
142.07767	2.6
143.08603	7.7
144.05756	2.2
145.06476	12.2
145.10158	7.1
147.08046	11.4
149.05952	3.0
149.09570	1.9
151.07533	7.1
153.06958	2.1
154.07671	1.7
155.08557	10.5
157.06490	5.1
157.10170	5.0
158.07329	2.8
159.08038	8.1
161.05975	2.2
161.09526	2.2
163.07475	2.4
165.06940	3.7
165.09155	3.2
166.07790	3.1
167.07268	2.3
167.08629	6.5
168.09387	1.8
169.06520	5.3
169.10132	5.6
171.08058	8.1
171.11699	2.1
173.09607	10.0
178.07784	4.6
179.08549	9.3
180.09283	2.5
181.10117	5.7
182.07295	2.6
183.08080	9.0
183.11667	3.5
184.08794	3.4
185.09669	5.4
187.07600	2.2
189.09021	1.8
191.08582	3.6
192.09308	5.8
193.08545	3.5
193.10159	7.8
194.07266	3.0
195.08098	6.1
195.11789	4.9
197.05978	3.3
197.09598	7.7
199.07533	3.4
199.11263	1.9
201.09145	4.6
202.07898	3.0
203.08601	4.3
204.09377	2.8
205.10181	5.8
206.07088	1.9
206.10970	3.2
207.08188	2.4
207.11722	6.8
208.08833	2.8
208.12395	3.3
209.09628	6.0
210.10364	2.3
211.07661	3.1
211.11137	5.9
215.08713	1.9
217.10210	7.9
218.10849	3.3
219.08121	4.6
219.11757	6.9
220.08873	5.0
221.09621	8.5
221.13283	4.3
223.07486	1.9
223.11134	6.0
223.14757	1.9
225.09093	4.3
225.12733	3.7
229.10297	2.6
231.08087	3.2
231.11731	4.0
232.12593	4.1
233.09624	6.9
233.13306	3.1
234.10439	1.9
235.07555	2.1
235.11177	15.8
235.14900	2.4
236.11981	4.8
237.09084	4.4
237.12683	9.4
238.09869	2.0
238.13423	1.9
239.10672	5.6
239.14380	3.3
243.09996	1.8
245.09631	7.7
246.10422	4.5
247.11243	8.7
247.14873	4.0
249.12715	9.0
250.09724	2.1
251.10664	4.8
251.14349	5.7
253.12251	5.3
255.13922	2.1
257.13379	2.2
259.11182	4.0
261.12891	9.7
263.10739	6.0
263.14359	3.8
264.11374	3.2
265.12228	6.0
265.15881	4.9
267.10269	2.2
267.13803	3.6
271.11169	2.1
273.12704	4.5
275.14261	11.9
277.12262	4.8
277.15863	3.8
278.12668	1.9
279.10236	2.0
279.13855	6.7
281.11761	6.8
282.12610	2.1
285.12885	3.3
286.13474	1.9
287.10645	2.0
287.14426	2.7
291.13803	4.6
293.15326	8.0
295.13339	7.1
299.12738	8.7
303.13849	9.2
305.11771	4.6
307.13333	3.1
309.18253	1.8
311.16495	3.2
313.07098	2.3
317.15240	4.0
321.14761	8.5
323.12860	3.9
325.14487	3.1
335.16602	2.5
339.15878	4.4
345.14676	3.3
353.17535	3.0
363.15979	3.3
373.17856	6.9
375.15610	2.8
381.16965	5.5
383.16299	3.2
391.19244	10.1
393.16849	12.3
401.17575	16.6
409.20187	11.1
417.20474	5.0
419.13126	3.2
419.18530	51.4
420.18784	4.7
435.21838	4.6
437.19586	100.0
438.20135	12.3
443.18427	5.6
451.21323	2.5
453.18164	8.2
455.20587	21.8
461.19574	13.0
473.21783	5.0
479.20663	21.5
480.20901	3.0
497.21716	7.3
537.24744	4.0
561.23944	1.9
615.26721	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.5
55.05511	21.9
55.45861	8.0
67.05518	42.9
69.07066	16.5
70.55542	11.8
70.55874	18.6
71.05001	9.6
77.56832	7.8
78.03025	7.8
78.16684	7.9
79.05512	39.8
81.07063	61.6
83.04968	34.0
83.08626	9.7
90.48287	7.7
91.05470	54.5
93.07050	100.0
95.04960	14.6
95.08618	82.9
98.23199	14.4
105.07037	52.6
107.08595	61.2
109.10170	35.3
111.04417	9.5
111.08073	23.4
117.07038	19.8
119.08571	52.3
121.10124	44.0
123.08082	14.0
123.11700	19.4
124.41477	7.8
129.06987	14.9
131.08568	38.0
133.06416	10.1
133.10133	76.3
135.08067	8.3
135.11717	35.2
139.07521	18.8
141.06995	7.9
142.07764	11.4
143.08586	27.4
145.10130	33.6
147.08063	11.6
147.11697	33.1
149.09660	10.3
150.60512	7.9
155.08568	22.0
156.09372	11.6
157.06516	10.6
157.10143	39.2
158.07135	9.1
159.08080	13.8
159.11668	22.3
161.09641	14.3
167.08615	9.4
169.10170	25.1
171.07993	16.5
171.11726	30.6
172.08940	9.9
173.09647	18.4
173.13290	22.1
175.11221	14.1
179.08611	9.8
181.10182	23.9
183.11674	22.3
184.12187	9.0
185.09767	9.7
185.13316	34.5
187.11128	9.4
193.10123	11.6
195.11688	30.5
197.13263	24.8
199.11168	14.5
201.12733	14.6
206.10831	9.0
207.11755	20.2
209.13298	24.7
215.14397	11.0
219.11618	9.6
221.13313	22.4
223.14870	10.2
225.12642	13.9
231.11768	11.7
233.15419	14.5
235.14932	13.7
239.14333	19.2
239.17949	8.3
243.13853	9.2
245.15468	14.9
247.14871	19.5
249.12704	13.0
249.16541	11.8
251.17880	9.7
259.14783	11.1
267.17612	9.1
275.17801	7.7
277.15784	9.1
277.19467	7.9
279.17435	9.9
295.17111	9.0
307.24329	9.2
315.17416	9.4
335.23947	11.7
384.18759	8.9
425.25052	13.3
443.25412	19.3
461.26846	12.7
513.37500	13.8
551.38562	22.7
561.37067	13.9
569.39801	10.2
579.38239	47.9
597.39282	36.2
615.40741	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.6
55.01862	8.2
55.05316	3.9
55.05518	36.0
57.03431	6.7
57.07064	20.1
61.47642	4.5
61.67994	4.6
65.03939	5.3
67.05511	46.1
69.03432	4.5
69.07075	43.2
70.83118	9.3
71.08621	16.7
79.05511	26.7
81.07050	38.2
83.04977	31.9
83.08630	14.9
85.10181	10.2
87.04449	4.6
89.06033	78.9
90.06362	8.8
91.05478	52.4
93.07050	74.9
95.04959	18.1
95.08041	6.4
95.08611	72.2
99.62448	4.4
103.05473	4.5
105.07024	69.3
107.04963	6.1
107.08582	39.8
108.05791	4.8
109.06536	6.7
109.10146	22.3
111.04443	15.3
111.08074	32.1
115.05457	10.7
117.07033	30.7
119.08582	100.0
121.06515	14.7
121.10157	41.1
123.08083	11.0
123.11713	9.3
128.06206	10.2
129.07045	23.2
131.08563	35.1
133.06537	5.4
133.08624	35.5
133.10136	65.5
134.08945	11.8
135.08034	7.9
135.11690	11.6
139.06630	4.9
139.07545	27.9
141.06998	22.0
142.07729	19.6
143.08560	45.3
145.06448	9.9
145.10117	44.1
147.08081	11.0
147.11691	44.7
149.09634	10.0
149.13229	6.3
153.06966	8.6
154.07748	9.2
155.08568	33.9
156.09341	13.0
157.06522	6.6
157.10144	47.8
159.08044	12.1
159.11719	32.3
161.09622	14.2
161.13246	7.7
165.07021	11.8
166.07828	5.6
167.08574	17.1
168.09383	7.2
169.06409	6.9
169.10101	40.2
170.10846	11.1
171.08072	12.6
171.11705	36.5
173.09637	16.3
173.13260	26.3
175.11174	11.1
177.11290	10.7
178.11519	5.9
179.07103	6.3
179.08591	16.0
180.09387	6.3
181.10135	23.9
182.10870	15.0
183.08060	8.4
183.11710	29.2
185.09599	16.2
185.13309	21.7
187.11163	10.3
187.14824	11.0
189.12724	8.8
189.16389	6.1
192.09282	8.7
193.10141	24.7
194.10898	6.6
195.08049	9.0
195.11671	30.3
196.12393	13.6
197.09560	8.9
197.13258	31.0
199.11188	10.9
199.14796	23.6
201.12769	6.7
201.16418	5.4
203.17966	6.5
204.18361	6.4
205.10205	11.0
206.10938	8.0
207.11736	20.8
208.12381	10.1
209.09669	9.8
209.13258	24.1
210.10220	4.8
210.57794	4.4
211.11226	9.1
211.14778	22.0
213.12666	8.1
213.16365	11.2
215.14365	5.8
216.09213	6.3
217.10127	8.9
218.10997	5.5
219.08206	4.4
219.11658	15.4
221.13283	26.4
222.14154	5.8
223.11154	12.4
223.14766	22.1
225.12738	15.9
225.16422	9.3
227.14279	15.0
227.17824	9.8
231.11665	13.3
232.12383	6.4
233.13219	10.8
233.15311	8.2
234.10252	4.4
234.13954	5.3
235.14861	12.0
237.12726	10.2
237.16374	19.8
239.14267	23.9
239.18024	4.8
241.15837	8.5
241.19485	4.9
243.11678	9.3
245.13158	12.8
245.15451	11.2
246.13847	5.8
247.11150	6.5
247.14931	10.2
249.16371	15.6
251.14287	11.7
251.17961	11.9
253.15839	4.8
253.19469	5.1
257.15372	16.2
261.12766	5.8
261.16336	15.1
263.17929	8.5
265.15955	10.7
265.19485	5.0
269.19040	5.0
271.14893	6.3
275.17972	11.4
277.15887	14.2
277.19284	8.8
279.17444	15.4
285.15967	6.4
289.19458	7.6
291.17496	7.6
291.21094	6.1
293.18726	5.9
293.22647	4.8
295.17068	9.1
301.19479	8.1
307.24344	9.4
313.19208	6.4
317.22989	5.7
335.23676	21.2
353.24973	6.5
377.24155	5.0
396.15463	14.3
397.16187	14.4
416.25574	4.8
425.28918	5.1
485.33435	5.1
493.31497	5.8
523.32202	8.2
551.38647	9.4
557.31952	7.0
561.36871	13.5
579.38281	51.0
580.38464	7.3
597.39404	33.2
615.49225	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	4.0
53.03939	9.1
55.05508	7.7
55.25462	4.2
55.26279	3.7
57.07071	10.4
59.04996	13.9
65.03933	5.8
67.05505	25.6
69.07059	12.4
71.30123	7.2
79.05486	23.7
81.07052	33.4
83.04980	7.1
83.08582	4.7
85.06544	21.1
88.11847	4.3
89.06057	7.0
91.05480	46.9
93.07054	59.3
95.04971	10.1
95.08609	47.1
98.22858	5.5
105.07033	56.4
107.08585	46.6
108.05709	4.7
109.06505	5.2
109.10157	16.9
111.08120	6.8
117.07014	14.8
119.08581	71.0
120.80405	3.7
121.06525	6.2
121.10152	40.7
123.08067	46.8
123.11663	10.8
125.06022	4.6
125.09612	14.9
128.06216	5.2
129.07024	8.7
130.07791	5.5
131.08589	35.7
133.06503	6.8
133.08575	10.1
133.10118	53.8
135.08055	16.0
135.11685	23.8
135.12584	4.2
137.05969	4.7
137.09604	16.0
142.07773	9.5
143.08601	20.5
145.10143	40.4
147.08041	25.2
147.11668	24.1
149.09619	13.8
149.13260	7.8
151.07527	54.2
151.11151	13.6
152.94933	4.5
155.08534	10.2
156.09380	8.3
157.10150	21.7
158.10860	6.9
159.07977	6.0
159.11662	26.6
161.09607	18.1
161.13303	11.4
163.11177	10.7
165.09076	29.4
167.08574	6.6
169.10170	10.9
170.10802	7.6
171.11702	19.3
173.13252	19.6
175.11172	7.8
175.14847	20.1
177.12871	4.6
179.08502	4.1
179.97266	4.4
181.10106	4.6
181.12210	10.8
183.11734	20.7
184.11853	4.3
185.13255	14.6
187.11195	7.7
187.14876	10.8
189.12729	19.0
189.14211	4.5
191.14348	5.0
193.10147	7.5
194.10741	6.0
195.11734	16.1
197.13170	12.8
199.14737	9.1
201.12752	6.2
201.16504	6.8
203.14368	13.6
207.11885	7.7
207.13805	23.8
209.13312	10.2
211.13158	7.2
211.14929	9.3
219.17413	5.2
221.13301	9.2
221.15353	100.0
222.15680	5.8
223.14893	6.1
223.16928	16.9
233.13147	5.9
233.15321	6.3
235.14915	5.3
249.16261	5.1
251.16197	7.7
283.20529	6.1
299.20065	5.6
375.26907	8.2
396.38214	4.4
491.34976	12.3
583.41211	21.1
584.41260	6.3
597.42432	15.4
615.43964	92.6
616.44037	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
54.85623	1.0
55.05513	16.3
56.36368	0.8
57.03431	3.9
57.07082	6.4
65.03940	1.7
67.05507	40.3
68.05838	0.9
69.07069	20.8
71.04996	1.3
71.08639	3.3
78.39131	0.8
79.05495	21.6
81.07063	38.8
83.04991	1.6
83.08630	12.7
85.06582	1.8
85.10207	1.1
91.05480	16.8
93.07048	27.8
93.07621	1.9
94.07353	0.9
95.04940	1.0
95.08608	35.0
96.08929	1.1
97.06544	3.0
97.10174	6.6
98.23403	2.5
99.08118	1.4
105.07032	21.8
106.07351	0.9
107.08595	16.8
107.09280	1.2
108.99047	0.7
109.06597	0.8
109.10154	14.3
111.08125	1.2
111.11724	1.7
112.03410	0.7
117.07034	5.7
119.08577	21.8
121.06512	0.9
121.10148	14.3
123.08115	1.1
123.11716	5.8
125.09618	1.5
129.06996	2.0
131.08562	14.3
132.62482	0.8
133.10129	15.3
135.11687	10.4
137.09653	1.4
137.13272	1.9
139.11220	1.7
143.08554	5.8
145.10123	12.3
145.11119	1.2
147.11702	9.6
149.09654	1.0
149.13269	6.6
151.14885	1.7
155.08649	1.2
157.10124	4.7
159.11693	8.2
161.13263	6.6
163.11191	1.5
163.14848	3.4
169.10138	1.3
169.32434	0.8
171.11687	5.6
173.13293	4.3
175.14828	8.3
177.16417	2.9
183.11766	1.8
185.13339	3.2
187.14832	4.4
189.16417	3.6
191.18028	1.4
197.13303	1.7
199.14912	2.7
201.16415	3.1
203.18085	2.4
213.16515	1.4
215.18007	2.5
217.19640	1.0
219.21107	1.9
223.14998	0.8
229.19612	1.9
231.21141	0.9
233.22812	1.6
239.18004	1.0
243.21095	2.4
245.22729	1.7
259.20474	2.1
261.22214	3.4
273.22266	1.3
275.23672	1.1
277.21826	1.0
279.23544	0.8
287.23691	1.6
301.25348	2.0
305.42783	0.8
333.24231	0.9
335.25955	3.6
337.27512	3.4
357.31750	1.6
364.94785	0.9
513.40021	1.0
523.44934	6.2
541.46216	1.7
545.41711	1.4
597.48688	10.6
598.49603	1.8
615.49792	100.0
616.50104	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.3
54.04650	0.9
55.01869	1.7
55.05513	25.9
55.43036	0.9
57.03433	6.1
57.07076	7.3
65.03945	3.3
67.05505	67.8
68.05856	1.1
69.07069	29.2
69.17683	0.8
69.18006	7.6
70.36031	0.8
71.04981	1.8
71.08633	4.2
79.05492	38.2
80.05850	1.1
81.07057	65.8
82.07379	1.3
82.84897	0.8
83.04988	1.3
83.08620	15.6
85.06557	3.0
85.10190	1.1
89.06039	1.4
91.05486	27.5
93.07043	43.6
94.07393	1.3
95.04980	1.7
95.08607	55.3
96.08960	1.5
97.06539	3.0
97.10181	8.1
98.23388	1.8
99.08112	3.4
105.04556	1.0
105.07027	29.3
106.07365	0.9
107.08595	27.6
108.08910	1.1
109.06522	2.0
109.10150	26.0
111.08101	2.0
111.11723	1.6
117.07032	8.7
119.08585	27.5
120.08955	1.4
121.10142	25.7
122.10494	1.1
123.08128	1.4
123.11707	10.8
125.09663	1.4
129.07042	2.6
131.08566	15.9
131.09477	1.3
133.08571	1.3
133.10120	19.8
133.11034	1.4
135.11700	16.3
135.12686	1.4
137.09677	1.0
137.13210	4.1
139.11179	1.2
143.08588	4.8
143.16743	1.0
145.10120	15.3
145.95073	0.9
147.11687	13.5
149.09552	0.7
149.13277	10.0
151.14844	2.3
155.08496	1.0
157.10126	4.8
159.11688	12.0
161.13242	9.1
163.11293	1.3
163.14786	6.4
169.10190	1.8
171.11697	5.3
173.13257	8.8
175.14844	5.2
177.16440	2.5
179.18011	1.3
183.11639	1.5
185.13263	4.1
187.14821	4.9
189.16455	2.4
191.14334	1.1
191.17912	2.3
197.13251	1.9
198.32217	0.8
199.14879	2.3
200.40732	0.9
201.16493	2.6
203.18025	2.7
205.19551	2.5
211.14868	1.0
213.16498	1.6
215.18005	2.5
217.19632	1.7
219.21071	1.2
227.18173	1.1
231.21147	0.9
233.22708	1.8
241.19557	2.5
243.21021	4.3
245.22751	2.3
247.20622	1.2
259.20532	6.9
261.22134	13.6
262.22278	0.9
263.23700	2.4
273.22137	1.2
275.23660	1.5
287.23672	2.0
291.22964	1.1
293.05139	0.8
301.25211	1.6
303.26810	1.4
311.90005	0.8
315.26938	1.5
317.24857	2.8
323.25613	1.3
333.24292	3.8
335.25827	13.5
337.27344	17.1
339.28839	6.1
371.33115	1.1
415.35504	0.9
475.34091	0.9
517.39185	1.1
523.45062	6.1
541.45984	3.7
545.42023	1.4
597.48755	15.0
598.49542	1.8
615.49786	100.0
616.50134	18.2
633.81110	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37332	2.7
55.05507	23.1
57.07082	6.0
57.64492	2.5
64.83311	2.6
65.03939	2.9
67.05506	41.4
69.07064	25.5
69.18115	24.5
69.64067	2.8
72.74933	2.5
78.08104	2.6
79.05496	26.6
81.07056	48.4
83.08620	13.8
89.06046	7.0
91.05469	19.7
93.07034	38.1
94.07399	2.6
95.05012	3.6
95.08604	41.1
97.06556	6.2
97.10184	5.9
98.22843	10.5
105.07034	24.2
107.08594	20.3
109.10147	24.9
117.07075	4.9
119.08574	20.6
121.10152	23.3
123.11719	7.8
129.07053	3.4
131.08556	14.5
133.08635	4.8
133.10095	14.0
135.11732	10.8
145.10158	13.1
145.70317	2.6
147.11740	12.5
149.13283	8.1
157.10199	3.1
159.11737	11.8
161.13290	12.4
171.11667	3.8
173.13303	6.0
175.14890	4.1
178.52470	3.2
179.14380	3.7
201.16446	3.3
219.96159	3.2
243.21094	4.4
259.20700	7.4
261.22183	9.3
302.50339	2.9
305.19421	2.8
335.25809	8.8
337.27335	15.1
339.29041	6.6
444.55338	3.2
523.44843	8.1
597.48438	14.8
615.49707	100.0
615.59735	6.1
616.49902	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	3.6
55.01873	2.9
55.05511	19.9
55.69172	2.3
57.03437	4.3
57.07075	6.4
65.03947	4.5
67.05508	34.7
69.07076	21.4
71.08632	5.2
79.05488	21.9
81.07066	34.3
83.08610	11.6
89.06001	3.9
91.05468	28.7
93.07047	32.5
95.08620	30.9
97.06513	3.5
97.10175	4.8
98.22978	16.8
105.07032	27.0
107.08575	16.3
109.10161	14.0
111.08068	2.8
117.00543	2.8
117.07030	5.2
119.08585	22.5
121.10152	12.9
123.08055	2.6
123.11706	5.6
131.08568	15.4
133.08588	2.7
133.10126	35.3
135.11682	9.6
143.08546	2.7
145.10132	14.4
147.08041	4.7
147.11729	7.8
149.13246	5.1
151.14830	2.4
157.10052	3.4
159.11731	4.5
161.13226	6.0
163.11177	3.2
163.14845	4.6
171.11687	4.8
173.13252	3.1
175.14777	3.0
185.13228	4.3
201.16461	3.5
203.17958	3.2
245.70447	2.4
258.13312	2.3
259.20706	3.3
261.22256	6.5
335.25821	3.5
337.27441	5.2
355.15570	5.0
523.45166	8.4
597.26324	2.7
597.49011	13.2
615.41730	3.8
615.49768	100.0
616.50293	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79965	0.8
53.03950	2.7
55.01874	2.3
57.03438	1.0
57.78257	0.8
58.73853	0.7
61.02940	1.0
61.85659	0.8
65.03928	3.8
67.05494	1.1
70.06593	1.1
71.28892	0.9
71.29272	1.0
75.04470	4.4
78.04720	2.5
79.05504	2.6
81.03397	1.3
81.07084	0.9
84.25096	0.8
85.02908	6.3
87.52130	0.8
89.03924	1.3
89.06054	1.5
91.05478	12.9
93.03413	11.1
93.07040	6.2
93.07513	0.6
93.16954	0.8
95.04980	5.7
97.02911	1.0
97.06538	3.7
100.63657	0.7
100.73846	0.9
103.05463	9.3
105.04512	1.3
105.07028	11.9
106.04171	27.6
106.04857	1.5
107.04997	1.9
109.06559	1.0
109.17524	0.8
115.05450	2.1
117.03392	1.2
118.04156	2.0
119.04948	1.7
121.06507	31.0
121.07355	1.7
123.03660	0.8
123.04449	3.9
123.08051	1.1
125.05988	8.7
131.04950	3.6
133.06496	9.7
134.03630	4.6
135.04433	2.3
135.08076	1.0
137.05978	8.6
138.06735	0.9
139.07571	2.5
143.06024	1.0
145.02898	0.9
146.03558	0.8
147.04443	2.5
148.05202	2.7
149.05981	50.3
150.06337	1.2
151.07570	2.4
152.08401	1.0
153.05452	2.3
153.09106	14.2
161.05977	23.1
162.06384	1.0
163.03891	1.9
163.07541	4.9
165.05428	1.1
167.07042	1.9
169.03400	0.7
177.05479	22.8
181.08597	22.9
181.10146	1.3
191.03371	7.6
191.07033	21.9
193.08603	23.3
209.08086	100.0
210.08406	3.9
211.09673	1.0
257.17542	0.9
285.07626	3.2
304.30093	0.9
317.06686	1.3
339.12006	1.0
343.08002	1.5
383.14627	1.3
387.14212	1.4
395.11154	1.4
437.12344	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76340	1.0
55.05508	3.3
69.32435	6.4
83.04969	1.8
84.63227	0.9
85.93780	1.0
93.42386	1.1
98.25133	1.0
130.19159	1.0
158.85666	1.1
159.38429	1.2
165.07001	1.9
166.07808	1.3
167.08667	1.1
179.08589	1.8
179.68259	1.0
181.06499	1.3
191.08554	1.3
194.07327	2.8
205.06482	3.1
206.07224	2.1
207.08115	2.2
209.09642	3.6
211.07568	2.2
219.08122	1.7
221.06010	2.2
222.06754	7.8
223.07591	2.5
224.08255	2.7
225.08943	1.7
226.06245	2.0
227.07013	1.3
233.05975	3.6
234.06773	4.0
235.07603	6.9
236.08318	3.0
237.05437	1.5
237.09093	8.9
238.06213	3.0
238.09682	1.3
239.06915	2.7
239.10683	3.7
241.08606	1.3
249.05467	2.5
249.09222	1.5
250.06219	9.6
251.06995	7.1
252.07787	8.5
253.04982	1.5
253.08615	2.0
254.05846	4.6
254.09204	1.6
262.06119	1.2
263.06992	4.6
264.07846	2.9
265.05005	3.3
265.08609	18.1
266.05896	1.7
266.09232	3.7
267.06543	3.9
267.10172	12.6
268.07285	4.6
268.10410	1.6
269.08081	2.4
271.05893	2.5
277.05072	1.1
277.08737	1.6
278.05768	2.6
279.06506	4.7
280.07263	6.3
281.07965	5.0
282.05389	2.2
282.08881	2.4
283.09500	1.8
284.06830	3.2
291.06454	3.8
292.07306	4.0
293.08090	30.6
294.08661	4.5
295.06125	3.6
295.09604	24.9
296.06967	1.7
296.10385	3.2
297.07492	4.0
297.11227	3.5
299.09155	2.4
300.06174	2.6
305.08032	1.5
306.08908	2.0
307.09818	1.2
308.06674	2.8
309.07489	5.8
310.08398	5.6
311.09189	4.0
312.09879	3.1
313.07037	3.9
314.07770	2.7
315.08627	9.4
323.09155	7.7
324.09790	2.9
325.02679	1.1
325.07214	1.7
325.10669	29.9
326.11356	3.4
327.08618	8.5
327.12384	5.6
328.09488	5.0
329.10190	9.2
337.10690	2.1
338.11496	1.4
339.08456	1.1
339.12152	1.8
340.09451	3.4
341.10165	4.1
342.10962	21.0
343.11423	2.2
355.11746	100.0
356.12271	11.0
357.13312	51.8
358.13708	4.6
367.11807	4.1
369.13077	2.1
381.13269	6.4
399.14389	13.3
400.14661	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
55.05499	2.8
69.04537	1.4
71.31246	1.0
79.98187	0.8
83.04968	2.5
116.91065	0.9
165.07004	1.6
177.07007	1.2
179.08545	1.5
181.06496	1.9
189.06947	0.9
194.07227	3.3
195.07970	1.7
205.06516	4.7
206.07330	1.5
207.08072	3.3
209.06041	1.1
209.09665	2.9
211.07678	0.9
219.08047	1.8
220.05066	1.0
221.06012	1.8
222.06699	6.4
223.07481	2.2
224.08334	2.8
225.05539	1.3
225.09058	1.5
226.06187	1.4
228.46231	0.8
232.05142	1.1
233.06033	3.1
234.06720	2.8
235.07542	5.5
236.08237	2.3
237.05392	2.4
237.09109	7.5
238.06131	1.7
238.09673	1.3
239.07001	3.0
240.07629	2.1
241.04854	1.0
249.05426	2.6
249.09181	1.7
250.06187	8.0
251.07086	5.0
252.07799	5.1
253.05006	1.1
253.08487	1.7
254.05769	4.0
255.06487	0.9
257.04291	2.1
261.05530	1.0
262.06451	1.1
263.07068	5.5
264.07816	3.3
265.05328	1.4
265.08594	21.0
266.09268	2.6
267.06552	2.0
267.10175	6.9
268.07248	3.4
269.08212	2.8
269.11752	1.0
271.05936	1.5
271.87659	0.8
277.05075	2.1
277.08505	1.4
278.05777	1.3
279.06586	4.4
280.07327	5.3
281.08078	3.2
282.05310	0.8
282.08893	1.7
283.05838	1.4
283.09338	0.9
291.06528	3.5
292.07333	3.9
293.04758	1.6
293.08072	30.0
294.08481	4.6
295.06079	3.3
295.09576	16.3
296.06586	2.2
296.10229	2.2
297.07498	3.9
297.11099	2.3
299.09140	1.9
300.06180	3.6
306.08871	1.5
307.09537	1.1
308.06827	2.9
309.07623	5.6
309.11005	1.3
310.08380	4.0
311.09045	3.8
312.09921	2.4
313.07129	1.7
314.07852	2.7
315.08661	10.0
316.09274	1.1
323.09116	7.4
324.09885	3.0
325.07104	1.5
325.10699	18.0
326.11325	2.4
327.08530	5.7
327.12317	4.3
328.09354	2.0
329.10214	7.3
335.08963	1.5
337.10748	1.2
339.12503	1.0
340.09473	4.2
341.10004	2.5
342.10971	15.1
343.11624	1.8
350.11392	2.0
355.11740	100.0
356.12186	8.4
357.13272	23.7
358.13763	1.6
362.38046	1.0
367.11792	4.5
368.12390	1.6
369.13281	2.6
381.13272	2.5
399.14319	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.3
55.05511	89.1
56.05843	2.8
60.95068	2.4
67.05506	3.5
69.42185	11.4
69.42605	4.5
70.67648	2.0
83.04982	99.4
84.05322	4.3
93.07061	5.3
105.03401	9.2
105.07033	2.9
107.08540	2.8
117.76335	2.7
119.08592	2.7
120.41336	2.1
136.06194	5.5
144.16415	3.0
153.55086	3.0
221.06009	3.2
223.07478	5.1
225.09019	3.2
233.06058	2.5
234.06752	3.0
235.07558	5.4
236.08084	2.7
237.05411	5.0
237.09210	3.6
239.07056	5.4
241.08589	3.1
249.05400	3.8
250.06000	4.0
251.06995	16.4
252.07803	6.4
253.08551	6.4
263.07001	11.7
264.07935	5.3
265.04950	4.1
265.08594	10.7
266.05917	3.7
266.09341	2.9
267.06573	7.2
267.10098	6.0
268.07071	3.8
268.10938	2.9
269.04660	4.5
269.08005	3.9
277.08405	3.8
278.05750	3.1
279.06628	14.2
279.09531	3.6
280.07300	9.7
281.07999	13.8
281.10895	2.6
282.05255	2.5
282.08856	2.8
283.09607	6.3
284.06888	5.8
284.10263	3.5
291.06427	4.8
292.07336	4.9
293.08041	23.8
294.08762	19.6
295.06091	6.3
295.09637	31.4
296.06805	6.5
296.10376	8.7
297.07535	7.2
297.10840	2.4
299.09241	5.7
299.12653	3.4
300.06256	3.6
306.09033	2.7
307.09436	6.1
308.06750	3.4
309.07513	4.8
309.10956	6.0
310.08331	3.6
311.09033	16.4
312.09888	9.0
313.07059	3.8
315.08615	15.7
319.06290	3.1
321.07541	3.1
323.09244	9.4
324.09808	8.3
325.06989	7.2
325.10699	14.8
326.11465	29.5
327.08612	9.1
327.12256	37.6
328.09186	4.0
328.12738	3.3
329.10229	6.6
335.09094	6.3
337.10672	5.1
338.11349	4.2
339.08578	4.4
339.12207	4.1
340.09543	3.3
341.10135	3.5
341.13791	3.3
342.10968	16.3
353.10123	3.6
355.11752	100.0
356.12323	9.0
357.13318	71.4
358.13562	7.1
364.09210	3.1
365.10129	4.7
367.11676	9.9
368.12369	3.5
369.13333	22.4
377.10275	5.0
395.11276	11.9
399.14221	25.5
400.14319	3.3
437.15829	8.0
503.12827	2.8
517.13959	2.9
566.64404	2.7
617.19928	54.7
617.34705	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	22.1
58.95256	5.4
71.32120	8.3
80.40590	5.9
83.04976	44.0
124.48438	5.1
138.57013	5.9
146.72438	5.6
224.08459	8.4
235.07462	7.2
250.06389	6.8
251.06848	7.9
252.07779	15.8
254.18706	6.0
265.08563	9.2
266.09210	6.2
267.06439	7.6
267.10150	16.2
279.06561	7.9
280.07333	7.9
281.08029	11.4
281.11804	7.0
293.08096	11.6
295.06543	8.0
295.09457	34.3
297.10931	10.1
299.09070	6.6
305.07861	5.9
309.11115	9.1
313.07083	11.9
314.07516	5.7
315.08371	11.2
320.07120	6.6
321.07404	6.9
325.10785	43.7
327.08633	15.1
328.09296	22.3
329.10138	8.1
339.12210	6.5
342.10953	41.1
349.10553	7.1
355.11758	23.2
357.09250	6.6
357.13367	100.0
367.11896	13.5
381.13318	45.6
399.14337	60.1
409.13065	12.9
587.01599	5.6
598.48932	6.6
624.93622	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.5
55.05847	2.0
66.08847	2.2
69.16692	1.8
69.39954	15.1
80.75728	2.1
81.07059	2.7
83.04982	8.4
90.63174	2.0
93.07077	5.2
97.52490	2.0
98.22587	3.8
108.38862	2.3
123.85574	2.4
179.08549	2.8
194.07320	4.0
207.08186	3.1
221.05981	3.2
222.06696	4.9
233.05988	3.2
235.07553	4.7
236.08087	3.2
237.09074	4.8
238.06439	2.6
239.10587	4.4
250.06317	8.4
251.06990	4.7
252.07878	2.3
253.04987	3.0
254.05824	3.7
263.07007	3.6
264.07950	3.8
265.04977	2.2
265.05878	2.3
265.08606	17.1
266.09518	2.8
267.06500	4.5
267.10147	7.9
268.07455	2.8
277.08563	2.4
278.05838	3.4
279.06564	3.1
280.07358	6.3
281.08069	2.3
282.08942	2.6
291.06436	4.7
292.07239	3.7
293.08057	32.0
294.08704	6.1
295.05981	6.9
295.09656	19.2
297.11209	3.3
308.06848	5.0
309.07648	6.0
310.08316	5.1
311.09116	3.2
315.08655	10.4
323.09164	8.7
324.10025	3.1
325.10696	20.6
327.08606	7.2
328.09409	3.1
329.10233	7.4
337.10400	2.2
340.09222	5.0
341.09973	2.6
342.10925	15.6
343.11386	2.7
350.11493	3.1
355.11765	100.0
356.12137	6.3
357.13306	34.2
367.11786	8.0
368.12170	3.5
381.13538	3.3
399.14313	29.9
412.23569	2.4
617.36700	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43586	6.4
53.12513	6.6
55.05515	37.8
60.38331	6.1
61.46816	6.3
62.25568	6.2
71.30989	9.9
83.04987	57.8
105.03422	6.5
107.04955	10.1
167.07074	13.1
195.10181	23.9
251.12793	9.4
252.07903	10.8
265.08618	11.5
267.10217	16.9
279.06680	7.6
281.08115	8.0
293.08276	9.3
295.09546	31.9
296.06494	7.9
297.11200	7.1
313.07083	11.5
315.08572	9.5
325.10580	33.1
327.08655	15.7
328.09268	15.7
339.12320	10.7
342.10999	37.0
349.10538	7.7
351.12405	7.7
355.11789	16.8
356.12366	8.1
357.13348	100.0
357.17404	13.4
367.11520	14.3
379.96753	6.9
381.13242	51.6
399.14511	46.6
462.39398	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.7
55.05515	5.8
62.03336	2.5
67.05500	10.1
69.03419	4.5
69.40057	18.5
79.05486	3.4
81.07082	3.8
83.04977	7.6
85.01666	2.4
91.05467	18.1
93.07035	23.3
95.04969	4.5
95.08617	23.6
97.02947	3.0
97.06496	2.8
105.07029	16.0
107.08603	7.4
111.04460	3.9
111.08078	11.6
115.05433	3.7
117.07024	15.8
119.08593	46.1
121.06493	7.3
121.10131	2.9
123.04423	4.0
128.06203	7.5
129.07019	15.9
130.07735	4.8
131.04985	4.0
131.08559	26.4
133.10101	26.1
135.08049	4.0
137.06003	2.8
139.07545	14.2
141.06985	13.9
142.07796	5.2
143.08575	22.8
145.06474	6.1
145.10127	50.9
147.11668	26.2
149.09613	3.6
153.07014	5.5
154.07759	10.1
155.08560	29.1
156.09311	7.8
157.10121	15.9
159.08047	6.9
159.11655	12.9
161.09663	7.1
167.08566	6.2
169.10149	34.0
171.08006	2.9
171.11665	19.0
172.96251	2.8
173.09619	39.8
175.11159	11.4
179.08600	5.0
181.10100	3.9
182.10994	3.7
183.08119	5.9
183.11728	7.8
187.11186	78.7
189.12814	3.2
192.09338	3.4
193.10176	5.0
195.11658	5.1
196.12476	5.2
197.09596	10.5
197.13283	6.0
199.14862	4.7
201.09119	7.5
205.10110	4.0
206.10927	4.3
207.11719	4.3
209.13239	6.5
211.11215	5.0
211.14803	7.6
215.10684	55.8
216.11166	3.4
218.10857	3.3
219.11665	4.5
221.13255	8.5
223.14716	3.6
227.14262	7.0
229.10143	3.6
230.10860	3.6
231.11626	9.1
232.12514	2.9
233.11540	17.7
235.14827	3.0
239.14276	21.2
243.11687	7.4
244.12473	4.5
245.13173	7.0
245.15384	10.5
247.14827	4.8
249.12616	3.1
253.12250	3.9
257.13153	5.8
257.15424	13.4
258.13962	4.2
259.14771	8.9
260.15588	4.2
261.16360	5.7
271.14764	5.2
272.15436	4.8
273.16257	3.8
274.66644	3.1
275.18008	5.9
283.14832	2.7
284.15604	3.3
285.16333	8.6
287.17950	5.3
299.17941	5.6
301.19537	5.5
305.15482	3.2
306.35355	3.1
311.17648	2.9
325.21872	3.7
327.17282	3.9
345.18491	3.8
360.20776	2.8
375.22772	3.7
399.23163	5.3
413.25052	5.5
415.26443	6.3
417.24246	4.0
423.23083	10.9
431.25644	8.0
434.31003	3.1
438.27753	4.1
441.24313	27.7
442.24719	3.0
459.18756	5.3
459.25296	100.0
460.25870	13.0
477.26364	11.0
480.28616	8.2
491.22345	6.7
580.27289	41.6
581.27509	4.2
598.28101	11.3
616.22498	2.9
616.43823	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71444	1.3
52.49690	1.3
53.03952	2.4
55.05508	5.3
56.36039	1.3
65.03947	1.9
67.05503	8.4
69.03415	2.6
71.30827	1.4
76.02261	1.4
79.05492	3.3
81.07059	4.6
83.04982	12.0
91.05466	12.0
93.07030	14.7
95.04962	2.3
95.08608	12.4
104.98666	1.4
105.07038	11.8
107.08594	6.0
109.10161	2.0
110.04919	1.3
111.04411	8.9
111.08073	5.5
115.05428	2.3
117.07035	5.4
119.08596	17.1
121.06505	3.4
121.10125	4.3
122.48003	1.4
122.52799	1.3
123.08040	3.4
125.05934	1.2
128.06190	3.7
129.07004	11.4
129.39011	1.5
131.04961	1.6
131.08575	12.9
131.58499	1.3
133.10132	9.7
135.07997	2.6
139.07544	4.2
141.06987	4.4
142.07787	3.9
143.08554	11.2
145.06454	1.7
145.10126	17.1
147.08014	2.7
147.11694	6.1
149.09692	1.7
153.07066	2.6
154.07776	3.6
155.08536	13.3
156.09346	4.1
157.10130	8.9
158.07301	2.4
159.08046	4.3
159.11723	8.7
161.09636	4.4
161.13235	1.9
165.07019	4.5
167.08606	4.6
168.09351	2.3
169.10143	12.1
171.08081	3.4
171.11699	6.0
173.09651	19.6
173.13304	1.9
174.10136	1.6
175.11211	4.7
178.07727	1.7
179.08540	4.6
180.09259	3.1
181.10159	8.0
183.08113	2.7
183.11682	5.5
185.09641	6.3
185.13269	2.7
187.11163	10.0
191.08449	2.0
192.09354	4.9
193.10132	9.6
194.10785	2.0
195.08093	2.6
195.11687	12.0
196.12279	1.9
197.09610	6.7
197.13274	5.4
199.07420	2.1
199.11128	6.8
199.14833	2.0
201.12778	4.7
203.08476	2.0
204.09233	2.7
205.10133	6.1
205.12047	2.1
206.10846	4.6
207.11685	11.7
208.12395	2.7
209.09682	2.3
209.13264	7.7
210.10464	2.0
211.11186	5.1
211.14857	2.5
213.12730	8.4
215.08777	2.0
215.10686	6.2
217.10187	3.8
217.55293	1.5
218.10918	2.7
219.11667	10.4
219.13783	2.6
220.12366	2.0
221.09689	2.5
221.13260	11.4
223.11134	6.0
223.14853	9.2
225.12766	5.2
227.10751	2.9
229.10176	3.4
230.10925	2.8
231.11748	6.6
231.13802	1.6
232.12395	4.6
233.13385	7.4
234.13782	2.4
235.11194	4.0
235.14734	3.6
237.12776	5.6
239.14293	3.3
241.12225	2.7
242.10886	2.0
243.11650	6.2
244.12372	5.1
245.13326	8.3
245.15347	1.8
246.14075	3.4
247.11110	2.0
247.14877	7.2
249.12729	5.0
249.16428	1.9
251.14317	2.9
255.11537	2.0
255.13907	1.8
257.13254	5.0
258.13940	4.5
259.14853	10.3
260.15479	3.9
261.12704	3.7
261.16342	6.6
263.14545	1.7
263.18069	2.2
265.12186	3.5
267.13766	3.0
269.13184	2.1
270.13904	2.9
271.14725	5.8
272.15384	3.0
273.12671	1.5
273.16388	6.4
274.17331	3.6
275.14490	3.5
275.17944	6.3
277.15829	2.4
277.19415	2.3
285.16330	7.0
287.17862	3.3
291.17468	2.0
293.15320	2.0
298.16898	1.6
299.17963	5.0
301.15982	2.2
301.19455	5.6
302.16611	2.7
303.17416	3.1
303.20874	3.2
305.15518	1.7
309.16321	2.7
313.19315	1.9
315.21106	2.0
316.21780	3.9
317.18866	2.3
319.16956	3.8
327.17438	4.3
329.18921	2.5
331.09921	9.3
331.20529	2.0
339.17239	2.2
345.18527	6.2
347.19995	2.2
359.20013	2.6
360.20691	2.3
381.22134	1.7
395.23990	2.6
399.23032	5.7
413.24701	8.6
415.26294	11.2
417.24268	4.6
423.23181	6.8
431.25690	8.9
433.27979	2.3
441.24207	17.3
459.25305	100.0
460.25687	10.9
477.26376	18.4
491.22409	7.2
534.26410	2.8
580.27271	22.6
581.27234	3.4
598.28284	10.8
616.28497	1.4
617.14868	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06274	1.3
54.29891	1.3
55.01864	1.4
67.05495	2.0
69.03085	2.5
69.03432	36.6
69.44817	7.1
79.05489	2.8
81.07044	2.5
83.05027	1.5
84.98219	1.4
87.58774	1.4
91.05476	4.1
93.07063	2.3
93.57324	1.3
95.04972	3.1
95.08622	3.1
96.40045	1.5
96.40638	1.4
97.06503	2.3
98.23306	3.2
105.07045	4.8
107.04932	2.7
107.08588	3.2
109.06519	5.6
111.08099	3.3
117.07014	3.6
119.08556	3.9
121.06491	2.8
121.10214	1.6
123.04398	1.7
123.08022	3.9
125.06059	1.4
128.06247	1.6
129.07008	3.8
131.08566	4.6
131.80524	1.5
133.06523	2.5
133.10097	1.6
135.08063	5.9
137.05908	2.6
139.07539	44.7
141.06953	3.9
142.07785	2.3
143.08548	9.0
145.06517	2.3
145.10107	3.7
147.08058	3.0
149.05913	2.3
149.09634	5.7
151.07564	2.7
153.05469	3.8
155.08543	3.1
155.10622	2.8
157.06551	1.9
157.08633	3.5
157.10056	2.3
159.08087	4.2
160.08806	2.0
161.09575	3.5
166.07845	2.0
167.08522	1.5
168.09392	1.8
169.06546	1.5
169.08693	2.8
169.10156	3.7
171.08142	2.0
171.11665	3.4
173.09712	3.6
175.07501	1.6
175.11195	2.2
177.09036	1.7
179.07053	1.9
180.39001	1.4
181.08598	2.9
181.10097	4.4
185.09654	2.7
187.11176	6.4
188.12018	2.3
191.10706	1.6
195.08591	2.0
195.10170	11.0
195.11760	2.9
199.07607	1.9
199.11131	4.0
201.09108	2.0
201.12743	3.2
207.10083	1.5
209.09616	2.7
211.11183	2.2
213.09077	2.1
217.12241	2.4
219.45738	1.5
221.11591	2.6
225.12535	2.0
227.10675	7.8
227.14272	2.2
229.12094	1.8
237.12886	2.3
239.14352	2.3
243.13953	1.5
245.11725	3.5
247.11295	2.3
247.53589	1.6
255.09985	1.4
265.12228	2.4
267.13815	3.2
285.14664	1.4
413.19806	1.7
423.21457	4.0
435.21802	3.9
439.20819	2.0
451.21408	2.9
453.22858	8.4
463.20972	4.1
465.22849	2.3
467.20599	2.6
471.23621	1.8
481.21954	5.2
483.24277	2.1
489.21014	2.5
491.20737	2.4
499.23328	8.4
501.25049	2.5
509.21738	7.7
517.24420	2.7
527.22852	27.0
528.22614	2.6
545.23810	74.2
546.24072	7.4
563.24866	100.0
564.25281	13.3
581.25635	2.2
617.20734	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30421	0.9
53.03938	4.1
53.30397	0.9
55.05513	88.7
56.05840	2.2
58.35094	1.0
59.04958	1.0
67.05503	3.1
69.03136	1.0
69.03436	10.1
69.07047	1.1
69.39569	2.5
69.39980	3.1
77.59345	0.9
79.05498	1.6
81.07065	1.9
83.04984	100.0
84.05339	1.0
91.05405	1.1
93.07018	1.9
95.08592	3.9
97.06547	1.5
97.51321	0.9
101.06005	6.4
102.23817	1.0
104.10728	3.5
105.07040	2.8
107.08596	1.9
109.06544	5.5
111.08054	2.6
114.29173	0.9
119.08553	2.7
123.08065	3.3
125.09586	1.3
129.06972	1.9
131.08626	1.1
133.10065	1.4
139.07549	8.3
143.08582	2.2
145.06505	1.5
147.07996	1.1
151.07513	1.8
155.08556	2.7
161.09682	1.9
165.06976	1.3
171.08046	2.9
171.11755	1.4
173.09575	6.9
179.08537	2.5
181.06479	1.3
181.10146	2.2
183.08104	1.5
185.09647	2.4
189.09035	1.3
191.08531	0.9
193.09972	1.2
194.07436	1.2
195.08012	4.1
195.11636	1.3
196.08784	1.0
197.09598	2.6
202.07820	1.3
205.10168	1.2
207.11679	1.9
208.08855	1.2
209.09612	4.2
209.13347	1.1
211.11192	3.3
217.10095	2.4
219.08113	2.0
219.11723	1.7
220.08762	3.1
221.09601	3.7
222.10280	2.6
223.11217	3.6
225.09190	1.5
225.12697	1.9
232.08783	1.3
233.09645	1.4
235.11142	6.8
236.11758	1.7
237.09161	2.1
237.12770	2.8
245.09573	3.1
246.10448	3.2
247.11211	3.8
247.14928	1.4
249.12730	2.9
251.14381	2.0
253.12209	2.1
261.12891	1.2
262.09787	1.1
263.10663	5.2
263.14194	1.8
264.11414	1.8
265.12274	2.3
265.15836	7.3
267.13959	1.3
267.17358	1.1
273.12674	2.7
275.14297	7.4
281.11804	1.5
283.01932	2.0
283.13327	4.6
283.16205	1.0
285.12756	1.4
287.14383	2.3
289.15524	1.4
291.13919	1.4
291.17453	1.2
293.12161	1.8
293.15350	12.4
294.16034	1.3
295.13284	2.4
301.86154	1.0
305.11700	2.3
305.15109	1.5
307.17169	1.3
309.15009	2.1
309.18341	2.7
311.16470	10.3
312.16666	1.5
315.13950	1.5
323.12906	5.3
323.15988	1.3
333.14862	2.0
335.16321	5.1
347.16171	1.3
347.20078	1.3
353.17432	17.9
354.17874	1.6
357.18423	2.8
371.18646	7.6
375.19547	9.0
377.17255	2.2
377.21484	1.8
385.17981	2.2
393.20618	9.9
403.19058	20.1
404.19327	1.8
407.18295	1.4
411.21634	3.7
417.20551	2.0
419.22354	2.2
421.20090	68.5
422.20496	7.0
435.21588	2.8
437.23236	6.6
439.21155	21.2
440.21182	1.8
445.19992	4.4
453.22568	3.5
457.22223	6.5
463.15005	1.8
463.21121	20.1
464.21268	2.2
471.23712	3.7
481.22192	36.7
482.22549	4.0
499.23331	15.3
500.23758	1.6
503.24658	1.5
521.24866	2.0
563.26624	2.2
581.27533	7.3
599.28320	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57978	0.7
55.05505	0.8
55.58603	0.7
57.07058	0.8
58.06588	0.7
67.05493	3.1
68.75851	0.8
69.04481	3.3
69.04911	3.5
69.07057	1.5
77.26387	0.6
79.05508	1.1
81.07045	3.2
91.05458	1.2
93.07056	1.9
95.04946	1.2
95.08605	2.5
96.08955	0.9
98.22751	2.6
105.07020	2.5
107.08584	2.1
108.79206	0.7
109.06523	0.9
109.10147	1.0
109.68134	0.6
119.08567	3.0
121.06558	0.8
121.10158	1.3
123.08030	1.6
123.11655	1.0
131.08519	1.4
131.47171	0.7
143.08574	1.4
143.53786	0.8
145.10147	1.0
151.07533	1.3
157.10156	1.3
159.08015	1.1
159.11488	0.8
165.09122	1.3
167.07120	0.9
169.10156	1.1
179.08578	0.9
201.09065	1.0
202.09973	2.2
203.14215	0.9
210.06787	0.9
211.07489	1.0
220.08817	1.3
221.15376	1.9
222.15897	1.0
225.09091	1.2
235.07533	1.0
235.11168	2.4
237.09129	1.9
239.07019	1.2
240.07887	1.2
247.07608	0.9
248.08397	1.7
249.09067	3.0
251.06828	0.7
251.10683	1.0
252.11380	2.0
253.08556	1.5
253.12108	1.1
254.09404	0.7
256.07394	1.4
261.09238	1.4
262.09650	1.0
263.10703	4.6
264.08191	0.7
264.11423	2.0
265.08618	6.3
265.12167	1.1
266.09268	1.3
267.06451	0.8
267.13763	2.1
277.08569	7.7
277.11716	0.8
277.12711	0.8
278.09384	1.6
279.10123	2.9
280.10828	6.7
281.11633	3.0
282.08905	1.1
283.15195	2.1
284.06931	1.1
285.07608	0.8
291.10144	1.3
292.10904	1.8
293.08096	2.4
293.11484	1.4
294.08725	1.9
294.12091	0.8
295.09842	1.7
295.13208	8.8
296.13824	1.6
297.11206	1.6
299.09146	1.7
308.10339	1.4
309.11264	5.8
310.08563	0.9
310.11823	1.0
313.10471	1.1
314.11618	0.8
323.12811	7.8
324.13538	6.7
325.10718	3.3
327.15894	1.2
331.11780	1.6
340.13022	4.1
355.15405	100.0
356.15942	14.2
387.17960	20.4
388.18311	2.5
393.22015	0.9
438.85559	0.9
561.10962	0.8
616.43506	2.4
617.40228	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03552	0.6
55.05512	1.0
61.54907	0.7
62.12225	0.7
66.54697	0.7
67.05509	1.2
69.07051	1.3
69.16463	6.1
73.65266	0.6
79.05496	1.1
81.07055	1.9
82.99457	0.7
83.04977	0.9
86.29757	0.6
91.05470	1.6
93.07037	1.8
95.08600	1.8
105.06989	1.1
107.08601	1.1
109.91382	0.7
113.45185	0.7
119.08582	1.6
121.10112	1.1
123.08030	0.8
129.07132	0.8
129.62891	0.8
131.08614	1.0
133.10149	0.9
145.10144	1.6
147.11674	0.9
157.10104	1.1
173.09621	0.8
201.09128	1.1
202.09865	1.8
210.06717	1.3
211.07520	1.0
220.08876	1.4
221.09550	1.1
225.09068	1.1
235.07471	0.8
235.11176	2.4
237.09073	2.7
238.06288	0.9
239.06851	0.9
240.07701	1.0
247.07307	0.9
248.08340	2.6
249.09033	4.1
251.07033	0.9
251.10663	2.2
252.11267	1.7
254.09331	1.4
256.07224	1.5
261.09195	1.6
262.09924	1.1
263.10666	6.5
264.11346	2.2
265.08624	7.8
266.05896	0.8
266.09390	1.1
266.12863	0.8
267.06439	0.8
267.13858	2.1
268.57532	0.9
269.11734	0.8
271.09625	1.2
277.08633	8.6
278.09177	2.5
279.10159	1.9
280.07715	1.2
280.10928	8.3
280.97787	0.8
281.08636	1.2
281.11649	3.4
291.10165	1.8
292.10968	1.6
293.08035	2.7
293.11694	2.4
294.08923	1.2
294.12299	1.5
295.13263	9.7
296.13812	1.4
297.11151	2.8
297.14334	1.1
299.09155	2.2
308.10385	2.9
309.11221	7.9
310.11758	1.2
323.12723	8.0
324.13519	9.4
325.10687	3.8
325.13913	1.3
327.15750	1.0
340.13071	2.7
341.13876	0.9
355.15384	100.0
356.15961	14.8
357.16745	1.1
387.18008	12.2
473.70251	0.7
482.37427	0.8
540.24084	1.4
547.65698	0.7
644.66821	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16927	12.2
55.22150	13.6
55.34119	12.2
56.02557	11.4
71.28065	20.0
87.60458	12.1
112.89613	100.0
115.48067	12.6
137.13960	13.6
155.01959	15.6
163.03928	46.9
275.06104	15.9
296.02744	14.4
305.07257	25.2
437.09668	21.8
469.79776	13.4
541.07043	15.8
543.13165	30.4
617.10565	90.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05644	2.7
60.76249	0.4
69.33038	2.2
71.53076	0.4
83.72260	0.4
88.41742	0.4
98.22612	0.8
112.81844	0.4
119.90125	0.4
123.04463	0.4
137.06017	0.8
147.04378	0.5
189.05478	0.4
199.02983	0.4
273.47672	0.4
315.10596	0.8
325.06854	0.6
331.10007	0.4
395.83005	0.5
455.22470	2.0
530.84149	0.6
617.19989	100.0
618.20313	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36877	0.4
57.10158	0.4
67.91889	0.4
70.19211	1.4
81.52854	0.3
104.01554	0.4
122.35503	0.5
150.40942	0.4
307.09332	0.4
431.92282	0.4
508.04990	0.5
616.44342	1.4
617.19861	100.0
618.20172	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87124	0.3
69.03416	0.3
69.97285	1.0
74.26482	0.3
85.02917	0.3
96.68652	0.3
98.28560	0.3
138.79387	0.3
146.33522	0.3
161.23872	0.3
177.90060	0.3
193.08626	0.5
199.52209	0.3
226.18228	0.3
311.21591	0.3
316.13025	0.4
345.13480	0.3
346.13678	0.4
348.15237	0.7
389.82831	0.3
402.20151	0.5
455.22134	0.4
543.19714	1.0
545.24390	0.3
546.23627	0.4
571.19653	0.4
599.18646	0.4
617.19940	100.0
618.20300	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.3
53.03949	14.2
55.01879	1.3
55.05514	63.7
56.05825	1.4
65.04037	0.9
69.37337	4.9
69.37744	1.5
77.03929	1.4
83.04984	68.3
95.04968	12.9
97.28560	1.0
105.03398	100.0
105.04536	5.0
106.03705	2.1
107.18855	0.8
166.07649	0.9
167.07129	0.9
178.07784	1.4
195.06519	1.1
195.08069	1.2
196.05229	1.2
205.06451	1.2
206.07265	1.8
207.08023	1.3
211.07477	1.8
219.08113	1.1
222.06697	1.0
223.07536	1.3
227.07027	1.4
234.06630	1.4
235.07544	3.9
236.08069	1.6
237.05516	1.6
237.09052	2.0
238.06189	1.5
239.06999	1.6
240.04198	2.5
247.07561	1.6
248.08282	1.4
249.05479	2.0
249.09052	2.8
250.06245	2.5
251.06984	2.6
252.07724	1.2
253.04916	2.2
262.06076	1.2
263.06958	5.1
264.04254	1.2
264.07849	2.1
265.05026	2.6
265.08652	2.8
266.05814	2.3
267.06500	1.7
269.04428	5.7
269.07950	0.9
270.05038	1.4
275.07068	2.2
277.04956	3.2
277.08624	3.5
278.05853	2.3
279.06503	5.5
279.10062	1.5
280.07224	1.7
281.08099	2.3
283.05923	3.3
291.06500	4.2
292.07202	5.9
293.04562	1.6
293.08047	5.3
294.05240	1.8
294.08743	1.7
295.05963	3.1
295.09265	0.9
297.03970	1.7
298.04605	1.9
301.07089	3.6
303.06631	2.6
305.04453	1.6
305.07999	3.8
306.08826	2.3
307.02667	1.0
307.06012	3.3
307.09644	6.3
308.06638	1.3
308.10757	0.9
309.04108	1.0
309.07556	2.9
309.11044	2.0
310.08304	4.3
311.05518	3.8
311.08914	1.0
312.06180	3.7
313.06992	7.2
313.10559	1.8
319.06039	4.4
320.06659	2.4
321.07559	8.2
322.08228	1.8
323.05621	1.4
323.09100	2.1
324.06296	2.6
325.06854	2.1
325.10510	1.9
326.07681	1.5
327.08438	1.3
333.07574	4.1
334.08298	5.1
335.05502	2.2
335.08987	7.3
336.09729	6.1
337.07083	1.9
337.10498	4.4
338.07733	1.4
339.08661	15.6
339.12286	2.4
340.08923	1.5
341.10190	3.4
344.06668	1.9
347.05487	1.9
349.06851	2.8
350.07733	2.4
352.09344	2.1
353.06314	1.6
353.10175	6.8
355.11807	1.4
363.08548	3.2
364.09378	5.4
365.10245	17.3
366.10477	1.7
367.11731	9.4
368.11932	1.2
377.10175	7.7
383.11179	2.4
395.11194	13.9
396.11636	1.4
487.13669	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27718	0.2
53.03944	2.0
55.01868	0.2
55.05511	57.8
56.05854	0.9
57.03435	0.7
61.02920	0.5
67.05494	0.4
69.03421	2.8
69.26644	1.1
71.04999	0.5
73.02899	0.3
73.06555	0.2
75.60488	0.2
80.12636	0.2
81.03426	3.3
81.07043	0.3
83.04980	100.0
84.05308	1.7
85.02902	4.4
89.71082	0.2
91.03928	0.2
91.05482	0.3
97.02887	3.6
98.41682	0.2
99.04451	0.8
101.06030	1.8
105.07008	0.4
109.02876	1.7
121.06512	0.2
123.45316	0.2
127.03920	2.0
133.06477	0.2
140.03824	0.2
141.06967	0.2
145.04965	0.9
145.06528	0.3
153.13345	0.2
153.14841	0.2
159.08110	0.2
159.41212	0.2
161.05981	0.4
165.07021	0.2
167.07048	0.7
167.08463	0.2
173.05989	0.5
180.02324	0.2
181.06480	0.2
181.10133	0.2
183.08070	0.3
187.07516	0.3
191.06970	0.2
191.08574	0.3
192.09441	0.2
193.10077	0.3
197.05919	0.4
202.07747	0.3
209.05991	0.3
209.09706	0.3
210.06725	0.4
210.10364	0.2
211.07538	0.6
212.04660	0.2
213.05461	0.2
214.06190	0.2
219.07980	0.3
220.08812	0.6
221.09589	0.5
222.10388	0.2
223.07602	0.4
223.11134	0.3
224.04590	0.3
225.05449	0.3
225.09114	0.5
227.07066	0.4
227.09117	2.8
228.07787	0.2
229.04904	0.6
233.09721	0.4
234.10312	0.3
235.07489	0.3
235.11200	1.2
236.08336	0.6
237.05434	0.4
237.09076	0.9
238.06174	0.4
238.09851	0.6
239.06979	0.6
239.10616	0.6
240.07790	0.3
241.04871	0.3
242.05672	1.1
243.06374	0.3
245.10153	1.8
247.07536	0.3
248.08348	0.9
248.12086	0.2
249.05486	0.2
249.09044	0.6
250.06102	0.2
250.09674	0.3
251.06999	0.6
251.10696	1.4
252.03993	0.2
252.07748	0.2
252.11375	0.5
253.04958	0.7
253.08603	0.5
253.12151	0.8
255.06209	0.3
255.10170	0.4
256.07327	0.8
256.10825	0.2
257.04495	0.3
257.08002	0.8
258.05338	0.3
259.05984	0.2
261.09116	0.2
262.09860	0.6
263.07056	0.3
263.07690	0.3
263.10648	2.3
264.07797	0.4
264.11441	0.5
265.08560	1.3
265.12177	0.5
266.09314	1.0
267.06540	1.1
267.10077	0.6
269.04517	0.2
270.05331	0.3
270.08984	0.2
271.05930	0.2
271.09634	0.7
273.07593	0.4
275.05338	0.2
277.08533	0.9
277.11737	0.3
278.09384	0.2
279.07028	0.3
279.10162	2.9
280.10797	1.6
281.08011	1.1
281.11700	2.5
283.06195	0.3
283.09479	0.6
284.06857	0.4
285.07553	1.6
285.14862	0.3
286.08307	0.3
287.09039	0.3
289.07288	0.4
290.07596	0.9
291.10181	1.0
291.13019	0.2
292.10831	0.8
293.08041	0.8
293.11389	0.4
294.08856	0.9
295.09592	1.2
295.13260	1.9
296.10464	2.4
296.13675	0.4
297.07687	0.2
297.11069	0.7
298.12192	0.4
299.09158	2.8
299.12320	0.4
302.07892	0.2
303.08478	0.9
304.09320	0.6
307.09500	0.3
308.10397	1.0
309.11188	3.3
310.11798	0.8
311.09094	1.3
311.12799	1.8
313.10779	0.5
313.14297	1.4
314.69077	0.2
316.09344	0.3
317.10110	0.8
323.12744	2.8
324.13452	0.6
325.10541	0.6
325.14182	0.3
326.11465	1.0
327.12204	0.4
327.15909	0.4
331.11865	0.9
337.14297	0.3
340.13058	0.3
341.13824	37.6
342.14236	3.4
343.11899	0.3
355.15399	8.1
356.15671	0.6
357.13434	0.3
358.14017	0.7
365.13858	0.3
371.14838	0.4
373.16443	7.3
374.16733	0.5
383.14883	0.3
419.18582	0.2
423.18024	1.3
424.18207	0.3
455.20523	2.1
463.17206	0.3
535.21637	0.6
555.25970	1.0
557.25873	0.2
617.25439	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.7
55.05514	11.1
57.07077	9.0
67.05505	30.2
69.07076	12.4
69.47110	7.4
69.47515	18.1
71.04994	4.5
79.05499	22.4
81.07058	52.6
83.04974	4.7
83.08640	7.9
85.06570	3.5
87.04469	14.7
91.05476	18.9
93.07040	48.3
95.04988	9.3
95.08604	100.0
96.08945	3.8
97.06519	7.8
98.23080	13.1
105.07037	49.8
107.08590	41.1
109.06498	3.6
109.10150	61.2
111.08083	7.1
113.06023	4.3
117.07027	10.1
119.08581	44.6
121.10145	42.7
123.08062	7.7
123.11729	23.1
125.09673	6.6
131.08572	17.0
133.10121	44.8
135.08034	4.4
135.11691	30.1
137.09563	4.0
137.13297	4.1
139.11142	3.3
139.56329	3.2
141.09102	3.5
142.07796	3.3
143.08620	8.2
145.10089	26.0
147.08099	5.2
147.11699	35.5
149.09584	4.8
149.13297	12.5
157.10110	5.2
159.11699	23.1
161.09602	4.4
161.13264	56.6
162.13629	5.4
163.14827	6.9
165.09151	4.6
171.11806	4.9
173.13313	14.5
175.11182	8.7
175.14873	11.3
177.16438	6.3
183.11804	3.1
185.13261	5.6
187.14833	14.3
189.16377	24.8
193.15800	3.6
197.13300	6.6
199.14792	5.7
201.16405	22.2
203.17940	23.1
215.17967	16.3
217.15964	6.9
219.17386	6.1
221.15414	10.8
227.17937	4.3
229.15845	3.7
233.15460	8.9
235.16914	36.3
247.16948	9.7
249.18562	6.2
313.25476	4.3
327.26639	5.7
329.24661	5.0
352.24054	4.9
355.15433	4.8
356.16083	7.4
387.18085	13.7
409.34494	6.8
419.33072	7.1
437.34152	67.4
438.34744	9.2
455.35229	46.9
580.30536	3.9
617.42719	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.42
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	5.8
53.03940	7.8
55.05512	27.6
57.07065	10.1
65.03930	6.5
66.14260	2.7
67.05504	62.1
69.03425	4.6
69.07067	20.7
71.04996	6.3
79.05489	51.7
81.07057	67.5
83.04990	23.6
83.08625	8.6
85.06496	2.8
87.04443	7.3
91.05477	63.1
93.06467	6.0
93.07044	98.0
95.04969	14.9
95.08602	85.5
97.06517	8.8
98.22993	18.9
103.05494	4.4
105.04493	4.0
105.07024	80.5
107.04953	6.6
107.08598	72.4
109.06516	11.6
109.10154	46.9
111.04427	5.8
111.08067	12.3
113.06042	3.9
115.05418	6.2
117.07005	25.7
119.08580	49.4
121.06462	15.4
121.10135	52.5
122.10526	3.8
123.08086	19.1
123.11675	18.2
125.09623	5.5
128.06250	9.8
129.06999	22.4
130.07809	5.2
131.08557	40.7
133.06538	6.5
133.10132	58.4
135.08067	16.2
135.11699	42.6
137.06023	3.5
137.09540	6.9
137.13239	3.7
137.91101	3.3
138.24684	2.9
139.07545	8.9
141.06987	11.6
141.09050	8.1
142.07777	12.9
143.08572	35.5
145.06413	7.1
145.10120	41.1
147.08035	12.1
147.11702	31.0
149.09593	12.1
149.13313	13.9
151.07573	4.2
153.07013	5.9
154.07756	4.1
155.08530	27.8
156.09308	9.8
157.06447	8.9
157.10115	45.9
159.08049	6.0
159.11714	41.9
160.91084	3.2
161.09682	16.1
161.13281	12.5
163.11179	14.2
165.07018	8.6
166.07713	3.0
167.08572	13.3
168.09288	9.6
169.10136	30.7
170.10857	3.5
171.08075	7.5
171.11687	28.4
173.09636	12.1
173.13257	18.1
175.11188	10.5
175.14804	7.2
177.12692	3.3
178.07800	5.0
179.08519	17.9
180.09201	3.3
181.06580	3.9
181.10126	20.8
182.10876	9.2
183.08086	4.2
183.11684	31.4
185.09639	11.7
185.13245	15.3
187.11133	8.6
187.14810	10.9
189.12872	6.2
189.16362	2.9
191.08502	5.3
192.09337	7.5
193.10167	20.5
194.10962	8.3
195.08038	7.2
195.11699	33.9
196.12320	6.3
197.09604	10.8
197.13240	23.5
199.11198	8.8
199.14825	14.1
201.12717	6.8
201.16339	3.6
203.08597	4.1
203.14250	3.7
204.09329	4.1
205.10109	13.2
206.10930	8.1
207.11691	24.6
208.08734	3.1
208.12480	6.2
209.09622	10.6
209.13281	21.1
211.11212	6.8
211.14778	14.8
213.12787	5.3
213.16342	5.5
215.14279	4.8
217.10130	7.3
217.15688	3.3
218.10977	3.6
219.11682	15.7
220.12411	7.0
221.09607	6.5
221.13231	17.2
221.15189	5.0
222.10432	4.0
222.13908	4.3
223.11203	10.5
223.14745	18.1
225.12749	6.5
225.16386	12.0
227.14400	3.7
227.18083	7.2
230.10764	4.7
231.11670	6.9
232.12367	3.6
233.09630	3.1
233.13190	17.7
234.13879	4.7
235.11171	7.7
235.14822	15.4
237.12801	11.4
237.16313	15.2
239.14337	10.4
239.18008	15.2
241.15765	4.0
241.19516	7.2
243.17387	3.5
245.13237	9.0
246.13921	3.1
247.11163	5.2
247.14825	9.9
249.12773	7.0
249.16356	16.1
251.14307	11.0
251.18018	9.7
253.15939	4.3
253.19690	6.0
255.20747	3.7
259.14661	6.4
260.15497	4.9
261.12683	4.6
261.16388	13.1
263.14270	6.4
263.17935	11.8
265.15955	9.6
265.19547	8.3
267.20944	3.8
273.16162	4.0
275.17908	8.2
277.15799	7.0
277.19470	9.1
279.17413	9.9
279.21005	6.4
281.18945	4.3
285.15991	3.9
287.17825	6.7
289.15915	4.4
289.19379	7.2
291.17557	6.5
291.21036	9.1
293.19070	6.1
293.22583	7.5
295.20352	3.8
297.18625	3.4
298.17267	3.5
301.06711	3.5
301.19510	5.9
303.17502	6.6
303.21091	9.3
305.19086	7.5
305.22635	9.7
307.20383	5.0
315.21075	5.0
317.19177	3.8
317.22452	4.2
319.20523	5.5
319.24081	3.7
323.20151	3.9
329.18921	5.2
329.22824	5.1
331.20374	6.9
331.24005	4.0
333.21994	5.3
333.25806	3.2
347.23590	3.8
355.24045	3.8
357.25937	4.5
359.27448	3.9
361.25336	3.7
373.29001	5.1
379.26318	10.2
385.25052	5.5
387.26785	5.5
393.28043	4.4
399.26730	6.3
413.32510	3.9
417.27869	8.3
427.26260	8.0
429.27988	3.5
431.29260	7.2
441.31470	14.0
443.29605	6.7
445.26248	24.2
447.28934	8.6
457.31693	3.2
459.32825	4.7
463.28394	11.4
515.38806	12.6
545.37622	3.4
553.40356	26.1
554.39899	4.0
555.41681	4.4
563.38794	24.4
564.39215	4.9
581.39862	100.0
582.40161	13.1
599.40833	39.5
600.41107	4.2
617.41858	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
53.33833	0.8
55.01863	1.8
57.92556	0.9
67.05510	1.2
69.03426	1.2
71.29140	1.6
75.04443	1.2
79.05499	6.8
81.26063	0.8
85.02907	3.3
86.72475	0.9
91.05477	7.2
93.03410	2.7
93.07050	2.1
95.04969	2.1
97.02843	1.3
103.05461	5.5
105.07027	21.6
106.04146	7.6
107.04960	6.9
109.06515	1.9
115.05428	1.8
118.04176	6.6
119.04942	2.7
120.05708	1.5
121.06508	9.5
122.03607	0.9
122.07307	1.8
123.04433	2.7
123.08050	2.2
124.05199	1.7
125.06015	2.5
131.04929	1.8
132.05670	1.5
133.06476	21.2
134.07167	1.1
135.04433	2.9
135.08028	5.8
137.05960	6.9
139.07486	1.9
146.03630	1.7
148.05159	1.8
149.05974	19.2
150.06761	12.3
151.07585	5.1
153.09082	4.2
161.05978	5.5
163.03909	1.9
163.07545	3.5
165.09105	14.4
166.06299	0.8
167.07018	19.2
177.05489	9.5
178.06120	1.3
179.07031	3.0
181.08585	9.1
191.06993	2.1
193.08597	64.2
194.08975	1.7
195.10202	3.6
197.11694	1.1
209.08081	56.5
210.08357	1.8
211.09645	100.0
212.09993	4.0
391.17297	1.9
478.32895	1.0
535.38672	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
53.33833	0.8
55.01863	1.8
57.92556	0.9
67.05510	1.2
69.03426	1.2
71.29140	1.6
75.04443	1.2
79.05499	6.8
81.26063	0.8
85.02907	3.3
86.72475	0.9
91.05477	7.2
93.03410	2.7
93.07050	2.1
95.04969	2.1
97.02843	1.3
103.05461	5.5
105.07027	21.6
106.04146	7.6
107.04960	6.9
109.06515	1.9
115.05428	1.8
118.04176	6.6
119.04942	2.7
120.05708	1.5
121.06508	9.5
122.03607	0.9
122.07307	1.8
123.04433	2.7
123.08050	2.2
124.05199	1.7
125.06015	2.5
131.04929	1.8
132.05670	1.5
133.06476	21.2
134.07167	1.1
135.04433	2.9
135.08028	5.8
137.05960	6.9
139.07486	1.9
146.03630	1.7
148.05159	1.8
149.05974	19.2
150.06761	12.3
151.07585	5.1
153.09082	4.2
161.05978	5.5
163.03909	1.9
163.07545	3.5
165.09105	14.4
166.06299	0.8
167.07018	19.2
177.05489	9.5
178.06120	1.3
179.07031	3.0
181.08585	9.1
191.06993	2.1
193.08597	64.2
194.08975	1.7
195.10202	3.6
197.11694	1.1
209.08081	56.5
210.08357	1.8
211.09645	100.0
212.09993	4.0
391.17297	1.9
478.32895	1.0
535.38672	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26092	1.1
50.72999	0.8
55.05509	2.1
69.51476	3.4
72.81871	1.0
83.04980	2.8
94.67529	0.9
165.06985	1.9
169.06454	1.6
178.07677	1.8
179.08583	2.1
180.68431	0.9
181.06470	1.3
182.07233	1.2
189.07117	1.6
190.07773	1.0
191.08617	1.0
192.95694	1.0
193.06384	1.2
194.07245	4.8
195.07939	1.9
196.08890	1.9
197.06081	1.0
205.06499	4.1
206.07397	1.2
207.08057	4.2
209.05972	1.9
209.09576	2.5
210.06767	1.9
211.07515	2.5
213.09111	1.2
219.08049	2.9
221.06047	2.6
222.06734	6.5
223.07465	4.3
224.08325	4.5
225.05589	1.2
225.09023	2.4
226.06175	1.5
227.06944	1.8
233.06042	3.4
234.06795	2.4
235.07480	6.2
236.08293	4.4
237.05473	2.7
237.09084	7.1
238.06206	3.1
239.03214	1.0
239.07034	3.1
239.10637	4.7
240.07828	1.7
241.08646	2.4
247.07532	1.2
249.05423	2.8
249.09074	2.5
250.06311	10.0
251.07037	6.8
252.07875	12.6
253.04964	1.9
253.08591	3.0
254.05684	5.3
254.09406	1.9
255.06564	1.9
255.09891	1.1
257.04422	2.2
261.05511	1.7
263.07050	6.5
264.07751	5.0
265.05081	2.7
265.08591	20.2
266.05621	1.8
266.09274	4.3
267.06567	5.5
267.10147	19.7
268.07309	4.6
268.10397	1.6
269.08017	2.3
270.05173	1.1
271.06046	2.8
275.61557	1.1
277.05115	2.0
277.08368	1.2
278.05637	2.4
279.06540	5.6
279.09326	1.0
280.07321	4.9
281.04834	1.8
281.08069	7.0
282.05539	2.3
282.08884	4.3
283.06039	1.7
283.09662	2.4
284.06680	2.3
285.07669	1.5
291.06668	4.7
292.07294	3.9
293.04764	1.9
293.08066	28.8
294.05551	1.7
294.08670	6.1
295.06088	6.1
295.09573	32.5
295.12985	1.7
296.06741	4.6
296.10141	4.2
297.07608	5.5
297.11246	5.2
298.08310	1.6
298.11743	1.9
299.05869	1.1
299.09097	4.2
299.12451	1.5
300.06284	4.0
305.08002	2.0
307.09537	1.3
308.06915	2.2
309.07556	6.9
309.10867	1.8
310.08286	7.3
311.09146	4.2
312.09729	2.6
313.06989	5.3
314.07852	2.6
315.08609	9.2
316.09210	1.3
323.09085	5.4
324.09903	2.5
325.07336	2.0
325.10666	41.3
326.07864	1.2
326.11401	5.6
327.08603	11.4
327.12314	6.8
328.09406	5.8
329.10162	8.4
337.10693	1.8
339.12314	2.1
340.09274	3.5
341.10327	6.4
342.10980	24.5
343.11600	2.6
355.11743	100.0
356.12256	9.7
357.13309	72.1
358.13712	7.5
359.11298	5.2
367.11700	5.0
369.13251	2.0
371.14978	1.7
381.13315	10.5
399.14401	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21869	10.0
55.05521	44.2
55.59346	7.9
64.05850	8.1
67.05494	17.2
71.30901	12.3
79.05483	16.5
81.03429	15.9
81.07038	12.1
83.04987	85.3
93.07037	20.8
95.04995	9.5
95.08611	10.4
96.75131	9.3
99.34414	8.8
105.07003	13.1
107.08561	8.9
109.10106	14.2
119.08612	14.7
119.95634	10.1
120.35011	9.3
137.34343	7.7
155.42072	10.9
172.58621	7.4
229.14282	18.0
251.07011	11.0
252.07756	21.4
265.08594	17.2
267.06659	13.6
267.10165	27.0
267.16034	18.1
280.07394	11.9
281.07999	13.8
289.08142	8.8
293.08325	11.6
294.08789	11.8
295.06293	12.5
295.09641	24.6
297.07410	13.7
310.08081	15.8
311.09039	13.9
313.07028	12.7
315.08673	18.5
325.10602	61.1
326.11459	14.0
327.08493	22.8
328.09247	19.7
329.10181	14.5
335.09314	10.0
339.12399	14.0
341.10129	20.0
342.10965	51.8
350.11447	11.2
355.11676	46.4
356.12320	10.2
357.13254	100.0
367.11801	14.9
381.13315	82.9
399.14575	59.6
419.97083	9.5
440.21606	9.9
441.15408	10.3
503.16675	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	9.4
57.07080	1.9
67.05507	10.5
69.07063	6.2
69.77805	8.0
71.04990	1.7
79.05505	3.8
81.07056	6.4
85.06558	11.8
85.55155	1.5
86.00655	2.8
88.04001	1.7
91.05482	18.1
93.07056	8.1
95.08607	28.8
97.10184	3.0
98.23321	2.9
99.05585	4.9
103.05470	1.7
105.07021	20.9
105.27645	1.6
107.08602	7.8
109.10155	2.0
115.05475	6.1
117.07017	16.6
119.08577	51.9
121.10130	3.6
123.08048	3.6
128.06206	11.2
129.06995	21.4
130.05008	3.3
130.07790	4.0
131.04984	2.7
131.08569	36.0
132.01146	2.3
133.06538	4.2
133.10124	27.2
135.11711	2.2
141.06996	12.7
141.09123	17.5
142.07751	8.3
143.08568	27.7
144.09323	3.8
145.06184	9.1
145.10123	48.1
146.20280	1.6
147.08054	5.6
147.11691	9.8
149.09645	2.6
153.06950	3.7
154.07741	8.8
155.08562	27.2
156.09351	11.4
157.10135	25.4
159.08054	3.9
159.11705	24.1
161.04121	2.0
161.09607	5.4
167.08592	2.6
169.10135	38.1
170.10942	3.8
171.11688	32.6
173.09622	42.8
173.13216	3.1
175.11134	8.6
177.03308	2.7
177.09138	2.0
179.08536	4.2
181.06209	2.1
181.10101	4.5
182.10973	1.8
183.08058	5.3
183.11720	6.1
185.09631	3.6
185.13219	11.8
187.11182	98.3
188.11533	5.9
189.09050	2.8
191.10684	4.9
193.10211	5.9
195.04434	2.0
195.11667	4.7
197.09647	6.9
199.11244	2.0
199.14868	2.2
201.09119	6.8
201.12807	3.2
201.16359	2.2
205.10226	2.8
205.12085	2.6
206.10933	3.0
207.10056	1.9
207.11792	4.7
211.11172	1.7
211.14865	9.1
213.07117	1.9
213.16391	12.2
215.08624	3.6
215.10680	57.4
216.11101	3.9
217.10121	3.7
218.10858	2.7
219.11710	5.6
221.13286	5.8
223.11349	2.5
223.14871	7.5
227.14355	3.1
229.10146	5.4
229.15858	7.9
231.11746	5.7
232.12476	3.4
233.11591	20.4
233.13654	1.9
235.14870	2.2
239.14352	2.4
241.15907	22.0
242.10823	2.2
242.16293	2.0
243.11664	3.5
244.12473	6.2
245.13271	7.7
246.14017	3.9
247.11078	2.1
247.14810	4.5
247.16953	4.6
249.09535	1.8
249.12569	1.7
249.16554	2.1
257.13300	6.5
258.13971	3.2
259.14673	11.2
259.17102	15.6
260.15457	1.9
261.16415	4.8
265.12247	2.3
267.13852	3.2
270.13940	2.3
271.14920	5.2
272.15652	2.2
273.16348	7.9
275.17932	4.9
279.13937	1.8
284.15503	2.1
285.16318	4.2
286.16953	2.3
287.05579	1.8
287.17914	5.9
297.16254	2.5
299.14487	1.9
299.17969	4.4
301.16064	2.2
303.17462	3.6
303.21158	2.0
305.15500	1.9
313.19815	2.1
317.15430	2.7
318.16357	2.6
319.16901	3.1
321.18744	3.0
327.17337	2.6
331.17093	3.3
336.12677	5.2
359.20007	1.9
383.23917	2.5
397.25250	4.6
401.24637	5.5
407.23581	2.3
415.26282	10.7
417.27869	5.1
419.25861	2.0
425.24704	14.1
433.27258	6.1
443.25830	25.7
444.25882	3.0
461.26880	100.0
462.27274	11.2
479.27972	10.6
480.28159	1.9
489.26630	2.0
493.24088	7.7
570.15540	1.9
582.28851	46.5
583.28906	6.2
600.29828	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.9
55.05514	6.5
57.03449	1.3
57.07074	1.8
67.05505	8.9
69.03440	3.0
69.07048	6.0
69.92574	4.5
71.04986	1.2
79.05497	5.9
81.03404	1.1
81.07064	7.3
83.04984	5.7
83.08631	1.5
85.06531	6.2
88.03988	2.5
89.82227	1.0
91.05476	10.6
93.07040	11.1
95.04961	2.5
95.08605	17.6
97.10198	3.1
99.04477	1.6
105.07037	18.3
107.08579	13.2
107.43538	1.0
109.06536	1.9
109.10168	4.4
111.04443	1.8
111.08091	3.2
113.06020	1.2
115.05449	1.7
117.07032	5.9
119.08575	20.6
119.09331	1.5
121.06557	2.2
121.10121	6.4
122.02744	1.7
123.08060	2.8
124.40894	1.2
125.09605	2.4
128.06242	4.5
129.07019	9.1
130.07820	1.7
130.55225	1.1
131.04938	2.3
131.08565	14.4
132.01149	2.3
133.06509	2.6
133.10123	16.0
135.08127	1.7
135.11707	6.2
137.13347	1.4
141.07013	4.9
141.09129	2.9
142.07800	4.8
143.08578	14.6
145.06464	2.7
145.10126	14.2
147.08119	3.4
147.11699	7.0
149.09616	2.1
153.07008	2.6
154.07825	2.5
155.08557	13.7
156.09332	2.6
157.06534	1.8
157.10118	12.3
159.08095	2.5
159.11682	7.4
161.09634	2.6
161.13283	3.3
163.11230	1.8
163.14757	1.6
165.07018	3.9
165.09093	2.0
166.07762	2.4
167.08600	4.6
168.09401	3.3
169.10126	10.8
170.10820	1.8
171.08110	3.6
171.11729	8.1
173.09636	12.6
173.13316	3.9
175.07538	1.2
175.11215	4.2
177.09184	1.6
178.07811	2.6
179.08490	5.1
180.09317	2.4
181.10144	6.7
183.08070	1.6
183.11714	7.4
185.09656	3.8
185.13284	3.3
186.54942	1.2
187.11174	6.8
187.14825	1.8
188.11545	1.5
189.12746	2.3
191.08643	1.8
191.10646	1.5
191.14394	2.6
192.09381	3.3
193.10127	8.8
194.10927	3.2
195.08064	1.7
195.11719	11.6
196.12346	1.7
197.09657	4.5
197.13252	3.3
199.07623	3.4
199.11177	5.7
199.14818	1.7
201.09155	2.8
201.12830	1.7
203.08513	2.8
203.14305	1.8
204.09407	2.1
205.10161	4.9
205.12364	1.1
206.10992	4.6
207.11702	11.3
207.13710	2.1
208.12460	2.6
209.09647	2.1
209.13327	6.3
210.10381	1.5
211.11179	6.6
211.14836	2.7
213.09131	2.4
213.12648	5.7
215.08742	2.0
215.10648	6.2
217.10197	5.0
217.12224	2.0
218.10837	3.8
219.10135	1.1
219.11763	10.3
220.12483	3.9
221.09869	1.6
221.13275	17.0
221.15355	1.9
223.07576	1.9
223.11241	5.3
223.14760	8.9
225.12782	4.5
225.16521	1.3
227.10751	1.4
227.14336	2.0
229.10165	3.5
229.15878	1.5
230.10959	3.3
231.11656	6.1
232.12462	3.6
233.13364	8.4
234.13881	1.4
235.11200	2.4
235.14873	4.7
237.12749	5.0
237.16240	1.3
239.08560	1.4
239.10738	3.3
239.14351	3.3
241.12274	3.8
243.11656	4.2
244.12486	5.1
245.13283	8.7
246.13907	4.5
247.11189	2.3
247.14850	8.9
247.17056	1.7
248.15434	1.2
249.12811	3.7
249.16434	3.3
253.09991	1.5
253.12289	2.2
253.16049	1.4
255.11581	2.3
255.13907	1.9
257.13202	4.5
258.14069	3.6
259.14865	10.5
260.15527	2.7
261.12805	3.0
261.16425	7.0
262.16901	1.5
263.14209	2.6
265.12280	4.7
267.13818	4.6
270.13983	1.5
271.14819	4.4
272.15503	2.1
273.13281	1.5
273.16309	7.2
274.16986	1.6
275.14590	2.3
275.17914	6.8
276.15237	1.2
277.15845	4.2
279.14059	1.5
279.17273	1.6
285.16425	4.9
287.14520	1.3
287.18085	3.6
288.18576	1.7
289.15894	3.2
289.19357	2.6
291.14035	2.0
291.17435	2.4
293.15408	1.8
298.17221	1.5
299.18048	2.8
300.18811	1.4
301.16080	2.2
301.19418	2.5
303.13657	1.5
303.17380	2.2
303.21060	1.8
304.14645	1.2
305.15533	2.5
305.18866	1.3
313.16080	2.1
313.19321	2.7
317.15302	1.1
317.18909	1.6
318.16251	1.3
319.17053	5.4
320.17526	1.8
321.18454	2.4
329.18900	1.9
331.17062	1.8
331.20712	1.6
333.18527	2.5
339.20139	1.2
341.19110	1.7
343.20654	1.3
345.18518	4.9
347.20078	3.2
359.20035	1.7
373.21326	1.7
375.22961	1.9
383.19754	1.3
397.25418	2.2
399.27066	1.4
401.25046	5.8
407.23837	2.4
415.26361	10.1
416.27136	1.4
417.27896	16.6
419.21393	1.6
419.26089	3.3
425.24530	8.6
433.27573	10.3
435.28900	3.2
437.26605	1.2
443.25867	20.9
444.26147	2.7
459.25626	1.4
461.26837	100.0
462.27231	14.4
475.23593	1.5
477.28156	1.3
479.27933	19.6
480.28186	3.6
493.24326	7.4
494.24695	1.4
536.28296	1.6
554.28925	1.4
582.28784	22.5
583.29156	3.3
600.29907	16.1
601.30280	1.8
618.19995	4.3
618.29260	1.4
619.21490	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01885	2.2
55.05318	1.5
55.05517	19.7
57.03429	4.6
57.07064	8.3
58.99583	3.7
65.03941	3.0
67.05508	29.0
67.56538	1.7
68.97211	1.6
69.03423	5.4
69.07058	9.5
69.39805	2.7
69.40210	9.2
70.44638	1.8
71.04990	4.6
76.02212	1.9
79.05490	10.8
81.03432	3.1
81.07054	20.4
83.04985	2.5
83.08610	3.9
85.06544	45.8
86.00648	6.4
88.03985	2.4
91.05472	21.9
93.07046	27.4
95.04971	4.3
95.08604	49.4
97.06516	3.2
97.10170	8.5
98.23353	1.9
99.04504	2.0
101.06013	2.6
101.36942	1.7
103.05504	2.2
105.00015	1.9
105.07032	37.3
107.08593	41.2
109.06511	4.3
109.10157	18.7
111.08092	2.3
113.06008	26.0
115.05396	3.2
116.06248	2.4
117.07025	13.5
119.08585	47.3
120.08928	1.6
121.06528	3.7
121.10155	18.7
122.02745	3.3
123.08073	11.0
123.11682	7.3
125.09637	5.9
128.06227	9.4
128.07108	1.6
129.07004	17.9
130.07748	3.5
131.04922	4.0
131.07091	2.3
131.08568	38.8
132.01166	8.3
133.06523	4.6
133.10141	35.2
135.08055	10.8
135.11700	19.7
136.11987	1.9
137.09608	3.6
139.11118	1.8
141.06975	10.3
141.09068	13.5
142.07793	16.0
143.08556	30.5
144.09233	2.5
145.06413	1.9
145.10126	49.5
147.08072	5.1
147.11678	17.7
149.09587	10.1
149.13249	4.8
151.11192	4.9
153.06961	5.5
154.07774	5.4
155.08553	29.9
156.09294	7.4
157.06467	3.2
157.10135	31.3
159.07994	6.7
159.11694	25.1
161.04167	2.1
161.09599	8.0
161.13240	4.2
163.07538	2.3
163.11195	6.0
163.14861	2.1
165.07022	11.4
165.09033	2.1
165.12759	5.4
166.07791	5.7
167.08563	12.5
168.09334	5.9
169.10136	27.8
170.10806	2.6
171.08049	7.9
171.11699	23.4
173.09630	27.9
173.13226	11.9
175.11185	10.8
175.14827	3.0
177.09076	3.9
177.12778	5.0
178.07755	5.9
179.08545	13.7
180.09407	9.0
181.06483	2.4
181.10106	20.6
182.10846	3.1
183.08134	4.1
183.11700	16.1
185.09607	13.5
185.13197	12.3
187.11168	20.1
187.14760	3.0
189.12740	4.3
191.08565	7.7
191.10626	5.0
191.14227	8.7
192.09329	10.0
193.10127	21.4
193.12094	3.6
194.10837	9.0
195.08031	6.1
195.10051	2.9
195.11708	33.2
196.08640	2.7
196.12331	3.8
197.09590	15.9
197.13190	9.6
199.07584	2.0
199.11208	15.3
199.14799	4.4
201.09164	3.7
201.12776	5.4
202.07724	2.5
203.08611	6.2
203.10721	7.5
203.14363	4.4
204.09337	4.4
205.10135	12.3
205.12212	5.7
206.10927	12.5
207.11714	29.5
207.13661	3.9
208.12279	5.7
209.09624	6.0
209.13251	16.3
209.15259	4.5
210.10422	4.6
211.07841	2.0
211.11223	27.0
211.14827	7.6
211.33459	1.8
212.11664	2.1
213.09172	3.7
213.12726	11.7
215.08734	3.0
215.10602	12.4
216.09312	2.7
217.10127	12.4
217.12102	3.6
218.10895	7.4
219.11732	29.5
220.12381	7.8
221.09821	3.5
221.13258	74.2
222.10347	3.7
222.13571	3.2
223.07599	2.8
223.11267	13.2
223.14825	10.3
225.12828	10.4
225.14693	3.4
227.08727	3.3
227.14304	5.6
229.10130	6.1
229.12225	3.1
229.15822	8.7
230.10942	5.4
231.11713	11.7
231.13649	2.6
232.12495	13.0
233.09695	2.2
233.13405	20.0
234.10312	2.0
234.13980	3.5
235.11140	6.2
235.14799	10.0
236.11700	2.3
237.12732	23.0
237.16393	3.5
238.07922	1.9
238.13029	2.0
239.10619	15.9
239.14291	4.3
241.12251	5.4
241.15880	3.8
242.10887	2.4
243.11682	8.3
243.13931	4.6
244.12451	8.7
245.13304	22.5
245.15457	2.6
246.13948	8.7
247.08141	2.0
247.11180	7.6
247.14830	37.9
247.17010	3.5
248.11768	3.1
248.15341	3.3
249.12766	9.7
249.16499	5.0
250.16905	1.6
251.10851	3.2
251.14467	3.4
251.17819	2.1
253.12250	7.9
255.11549	2.2
255.13850	17.1
257.13318	9.0
258.13980	6.8
259.14853	20.2
260.15555	7.0
261.12799	5.2
261.16385	27.8
262.16843	3.1
263.10999	2.1
263.14407	5.8
263.17725	1.9
265.12268	26.0
265.15201	3.2
266.12518	2.0
267.13965	10.3
269.13083	3.5
270.13855	3.5
271.14755	5.3
272.15640	4.5
273.16537	17.4
274.17081	5.6
275.14258	4.3
275.17908	21.9
276.18423	2.1
277.12769	1.9
277.15817	9.7
277.19116	2.5
279.13953	4.8
279.17435	4.0
281.15381	7.5
283.13052	3.1
284.15555	2.8
285.12677	2.2
285.16370	7.1
287.10983	2.1
287.14182	2.1
287.17844	4.1
289.15869	5.8
289.19513	12.7
291.13861	7.5
291.17395	7.4
293.15402	3.4
297.16125	2.9
299.14450	2.7
299.17911	4.3
301.15894	6.3
301.19339	4.0
303.17480	7.7
303.20908	3.6
305.15244	5.1
305.18933	2.9
307.17126	3.9
307.20532	6.1
313.19449	2.9
315.17343	3.0
317.15344	4.0
317.18967	4.2
318.16138	2.1
319.16910	14.3
320.17682	3.2
321.18320	6.7
321.22186	5.4
327.17398	4.7
331.16855	4.1
331.20471	3.9
333.18445	6.6
334.19092	3.2
336.12680	2.4
339.23322	2.7
341.18958	2.5
345.18546	8.0
347.20114	10.3
348.20709	2.2
349.21613	59.1
350.22083	6.8
359.20151	2.9
367.22733	8.6
373.21362	2.9
381.18707	3.4
381.26096	2.5
383.23782	4.2
385.21722	1.8
393.24146	2.6
397.25269	8.4
399.26938	2.1
401.25153	12.6
415.26315	22.7
417.27991	14.1
419.25836	7.8
425.24747	24.9
426.24591	2.9
433.27380	14.8
443.25854	72.8
444.26465	8.4
451.28418	2.2
461.26904	60.1
462.27170	7.7
470.23727	13.0
471.23651	2.5
479.27945	100.0
480.28378	13.4
488.24667	2.2
493.24173	4.1
497.29010	56.4
498.29224	5.7
511.24948	6.9
582.28894	24.4
583.27960	5.7
600.29883	73.3
601.30103	11.8
618.31488	20.6
619.30792	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.0
53.03947	2.4
55.01861	2.4
55.05268	1.3
55.05515	19.9
57.03432	3.4
57.07080	6.4
58.99570	3.2
59.05030	1.1
65.03929	2.7
67.05502	33.1
69.03427	7.7
69.07072	12.1
71.04990	1.9
71.30650	1.7
74.42511	1.1
76.02219	2.2
79.05493	14.4
81.03411	2.8
81.07056	22.5
83.04981	3.1
83.08615	5.8
85.06544	46.1
86.00665	6.5
87.04468	2.7
88.02200	1.1
88.03982	3.7
91.05482	29.2
93.07044	31.2
95.04960	4.5
95.08608	58.9
96.08924	2.2
97.06521	5.0
97.10181	7.5
99.04466	1.8
99.08090	2.5
101.06010	3.2
102.04131	1.0
103.05474	3.3
105.07031	34.4
107.04973	1.7
107.08596	46.0
108.08923	3.3
109.06516	5.5
109.10157	15.7
111.08088	1.8
113.06007	25.3
113.09600	1.7
115.05436	6.5
116.06208	1.4
117.07014	19.4
119.08578	50.6
120.01156	1.3
120.08923	1.6
121.06505	5.4
121.10154	20.7
122.02721	3.8
122.10516	1.4
123.08067	15.8
123.11704	7.6
125.04163	1.2
125.09633	5.7
128.06213	12.1
129.07008	22.9
129.08882	1.0
130.07811	7.0
131.04897	3.1
131.07053	2.1
131.08568	40.2
132.01128	9.5
132.08934	1.4
133.06519	4.5
133.10135	39.2
135.08070	9.7
135.11687	24.5
136.04753	1.3
137.09624	4.7
137.13239	2.0
141.06987	10.3
141.09091	13.6
142.07784	13.8
143.08559	37.0
144.09160	3.6
145.06458	3.1
145.10115	49.7
145.11261	2.4
146.10526	2.0
147.08083	6.6
147.11707	20.3
149.09633	8.3
149.13264	5.6
151.11163	4.7
152.06172	2.0
153.06979	7.4
153.09111	1.1
154.07799	7.0
155.08559	31.7
156.09367	8.2
157.06453	3.0
157.10123	36.6
158.07265	2.1
158.10706	2.7
159.08044	8.1
159.11687	26.7
160.08823	1.4
161.09613	9.1
161.13242	5.9
163.11179	7.2
163.14813	4.0
165.06975	12.7
165.09132	2.7
165.12729	4.4
166.07796	5.2
167.08539	10.1
168.09296	6.6
169.06470	2.2
169.10127	31.7
169.12270	1.5
170.10814	4.9
171.08060	12.8
171.11691	24.2
172.08842	1.7
172.12238	1.4
173.09618	35.9
173.13257	13.7
174.10063	1.8
175.05803	1.3
175.07491	1.7
175.11183	11.2
177.09114	3.8
177.12755	5.5
178.07739	6.5
179.08578	16.5
180.09306	6.4
181.06537	1.7
181.10135	19.6
182.10838	3.6
183.08070	4.7
183.11679	20.2
185.09628	14.8
185.13246	14.4
187.11177	30.6
187.14838	4.3
188.11658	1.7
189.07100	2.0
189.09102	2.1
189.11205	1.3
189.12692	7.0
190.07735	1.4
191.08565	7.5
191.10658	5.7
191.14290	15.0
192.09332	9.1
193.10144	23.1
193.12122	3.5
194.10890	7.5
195.08072	5.5
195.11697	41.1
195.13545	2.0
195.26532	1.2
196.08792	3.6
196.12292	2.6
197.09608	15.6
197.13255	11.7
198.10191	1.4
199.07535	4.6
199.11189	16.7
199.14812	3.7
201.07416	1.2
201.09102	4.3
201.12750	4.3
201.16408	1.6
202.07823	2.0
203.08612	5.3
203.10666	6.1
203.14392	5.7
204.09349	5.8
205.10150	12.8
205.12265	4.1
205.15837	1.2
206.10901	17.3
207.11739	25.3
207.13834	4.2
208.12357	3.7
209.09769	5.2
209.13251	16.9
209.15358	5.0
210.10342	2.3
210.13892	1.7
211.11205	32.9
211.12996	1.3
211.14755	7.3
212.11713	1.9
213.09106	4.1
213.12744	14.7
213.16261	2.7
215.08644	3.2
215.10672	14.8
215.14394	2.2
216.09294	3.4
217.08365	2.0
217.10130	8.8
217.12282	5.9
218.10840	6.4
219.11780	30.2
220.09114	1.2
220.12363	7.6
221.09663	4.0
221.13254	81.9
222.10378	4.8
222.13492	5.4
223.07536	3.3
223.11185	16.9
223.14751	12.2
224.11958	2.2
225.09084	2.9
225.12799	12.7
225.14827	3.4
227.08800	2.8
227.10757	2.0
227.14259	6.7
229.10127	5.1
229.12231	2.5
229.15910	6.8
230.10970	6.3
231.11688	13.2
231.13820	3.3
232.08862	2.2
232.12439	12.1
233.09464	2.6
233.11371	2.1
233.13470	16.9
234.10321	2.6
234.13948	4.6
235.11224	7.2
235.14827	12.1
236.11925	1.9
237.12715	25.3
237.16429	2.6
238.13297	1.6
239.10674	25.6
239.14340	4.4
241.12239	8.9
241.15842	5.3
242.10809	2.0
243.11655	6.6
243.13893	3.7
243.17566	1.3
244.12411	10.2
245.13310	21.3
245.15475	3.6
246.14017	10.5
247.11162	5.8
247.14804	42.8
247.16939	3.4
248.11896	2.7
248.15311	4.3
249.09280	1.6
249.12727	8.5
249.16484	6.4
251.10696	3.3
251.14304	4.5
253.12282	6.3
253.15800	1.7
255.11647	2.0
255.13879	16.0
256.12378	2.6
257.13205	7.5
257.15457	3.2
258.14047	8.5
259.14792	21.4
259.17041	3.1
260.15546	8.6
261.12784	4.4
261.16364	27.3
262.13379	1.8
262.16830	1.7
263.10739	3.0
263.14297	8.1
263.17902	3.4
265.12253	32.4
265.15787	3.0
266.12613	3.0
267.13919	8.5
267.16595	1.5
269.13214	2.2
270.13873	3.0
271.14703	8.0
271.17209	2.5
272.15530	3.8
273.12534	2.2
273.16339	15.7
274.13696	1.6
274.17084	6.9
275.14264	4.3
275.17892	22.4
276.14981	3.2
276.18472	4.1
277.12653	1.9
277.15906	9.7
277.19519	3.4
279.13739	4.1
279.17297	2.9
281.15579	6.4
283.13062	2.2
284.15598	2.7
285.16385	6.4
287.11221	2.1
287.14273	5.0
287.17462	5.3
288.15164	1.3
288.18524	2.1
289.12689	2.1
289.15817	5.1
289.19440	12.0
291.13757	5.9
291.17398	6.0
291.20502	1.5
293.15329	3.9
293.18729	2.0
299.14346	1.4
299.17850	4.7
300.18509	2.3
301.15793	5.9
301.19482	3.5
302.16678	1.8
303.14124	1.7
303.17386	9.1
303.21051	5.3
304.17761	1.8
305.15320	7.3
305.18918	3.9
305.22287	1.5
307.16910	3.3
307.20523	6.7
309.18768	2.0
311.17850	2.3
313.15976	2.3
313.19379	2.4
315.17471	2.6
317.15704	2.2
317.18970	4.5
318.16016	1.8
319.16962	16.7
319.20331	1.9
320.17337	2.2
321.18408	5.0
321.22144	6.4
325.19455	1.5
327.17456	4.4
327.20953	1.4
329.15088	1.4
329.18887	2.7
331.16818	3.7
331.20572	4.7
333.18427	4.1
333.22107	2.1
334.19101	3.4
336.12726	2.4
337.18329	3.6
341.18887	1.9
343.20712	1.3
345.18533	10.8
346.19025	1.6
347.19934	8.4
348.20471	2.1
349.21613	51.1
350.22018	4.0
351.23114	1.3
355.20441	2.3
359.19949	2.9
361.21341	1.7
367.22812	9.5
373.21500	2.8
373.25458	2.1
375.23074	1.9
379.24225	1.4
381.18759	2.8
381.25809	2.2
383.19543	2.7
383.24097	5.6
385.21420	2.1
397.25391	9.1
399.26825	4.1
401.20175	1.7
401.25031	10.7
407.23560	2.7
415.26291	20.2
416.26608	3.0
417.23380	1.5
417.27991	15.4
418.28534	1.8
419.25793	9.4
425.19226	1.8
425.24710	24.0
426.25385	1.4
433.27490	15.9
434.27420	2.0
435.29037	2.7
443.25830	69.6
444.26154	10.6
451.28210	3.9
459.27341	1.9
461.26874	69.0
462.27158	7.4
470.23666	10.0
479.27933	100.0
480.28241	12.3
488.24484	1.9
493.23801	3.6
495.25305	1.5
497.28931	63.6
498.29465	7.8
511.25104	6.5
517.27264	1.2
582.28754	24.5
583.28278	4.3
600.29889	69.0
601.30298	9.9
618.31061	26.2
619.18011	1.5
619.30811	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.01867	2.4
55.05519	7.4
55.71978	1.2
56.50020	1.1
57.03434	1.8
57.07094	1.7
61.77095	1.2
65.74854	1.2
67.05499	12.8
69.03432	3.8
69.07073	4.4
69.41917	1.3
71.05000	1.7
71.29051	2.1
71.29424	2.0
77.02165	1.2
79.05488	6.7
81.03423	4.2
81.07056	13.2
83.04969	20.7
83.08614	1.9
85.02869	1.5
85.06542	3.8
91.05483	15.1
93.07038	24.4
94.95702	1.4
95.04983	6.8
95.08607	21.7
97.06537	3.3
97.10136	1.5
99.04482	1.6
105.07024	22.6
107.04990	1.8
107.08602	11.0
109.06541	4.6
109.10181	6.1
111.04438	12.5
111.08075	9.6
113.39011	1.3
115.05473	1.4
117.07040	6.3
118.83609	1.6
119.08578	27.3
121.06530	5.4
121.10127	7.4
122.02736	2.3
123.04401	1.3
123.08073	5.7
123.11704	2.7
125.05987	1.8
128.06244	3.9
129.06982	10.8
131.08546	17.4
132.01259	2.1
133.06503	3.5
133.10127	15.2
135.08080	4.4
135.11658	2.6
137.05948	2.3
139.07574	6.3
141.06998	2.7
142.07796	6.0
143.08543	12.7
144.09286	2.5
145.06502	2.5
145.10133	14.6
147.08067	5.0
147.11694	9.7
149.09683	3.3
149.13275	1.4
153.06885	3.3
154.07819	2.2
155.08543	14.8
156.09360	4.1
157.10114	19.0
159.08090	5.0
159.11693	10.9
161.05971	1.8
161.09656	7.0
161.13274	4.2
163.07506	2.0
163.11226	2.7
165.07054	2.9
166.07805	1.7
167.07053	18.1
167.08563	5.1
168.09377	2.9
169.10132	10.7
171.08018	2.1
171.11687	14.2
172.08821	1.5
173.09601	8.7
173.13275	4.8
175.07568	1.6
175.11185	10.7
177.12823	2.3
178.07835	1.8
179.08580	5.8
180.09329	2.9
181.08711	2.3
181.10078	11.0
182.10870	3.0
183.08090	2.8
183.11655	10.8
184.12411	2.0
185.09608	5.3
185.13283	5.7
187.07509	1.6
187.11185	3.8
189.12778	5.9
191.08685	2.1
191.10600	1.6
192.09378	2.7
193.10094	10.7
193.11810	1.3
193.12207	1.3
194.10873	4.0
195.08031	2.5
195.11702	7.9
197.09636	5.5
197.13216	6.9
199.07481	1.6
199.11214	10.5
199.14830	3.0
201.09155	1.9
201.12746	4.6
203.14377	2.3
205.10181	7.2
205.11981	1.3
206.10861	5.8
207.11716	15.2
207.13669	2.0
208.12419	4.9
209.09668	3.4
209.13216	10.9
211.11226	3.6
211.14799	4.9
212.75847	1.3
213.12718	7.6
215.10580	1.8
215.14336	4.5
217.10211	4.3
217.12271	4.3
218.10847	3.6
219.11751	13.2
219.13745	2.1
220.12408	5.0
221.09827	1.7
221.13278	16.1
222.13864	1.7
223.11223	5.9
223.14757	18.2
224.15385	2.0
225.12749	9.5
225.16295	2.1
227.10741	2.1
227.14346	3.7
229.10306	2.1
230.10825	2.0
231.11742	5.1
232.12538	3.7
233.13414	9.6
233.15442	2.1
234.10419	1.7
234.14064	2.2
235.11189	3.0
235.14986	8.0
236.15384	1.3
237.08960	1.7
237.12787	4.7
237.16397	2.8
239.14330	7.2
241.12228	5.5
241.15828	1.6
243.11652	1.8
243.13812	2.5
244.12384	2.6
245.13239	9.9
245.15425	1.6
246.14005	4.3
247.11176	1.9
247.14839	8.8
248.15494	2.6
249.12807	5.7
249.16353	5.8
251.14380	4.1
251.17999	1.9
255.13896	2.5
257.13123	2.0
257.15527	2.7
258.14014	3.3
259.14896	8.2
260.15610	2.7
261.12747	3.0
261.16446	9.3
262.13559	2.5
262.16949	2.4
263.14255	5.0
263.17935	4.9
265.15927	2.5
267.13812	6.3
269.13147	2.4
269.15652	2.3
271.14694	2.5
272.15692	1.9
273.12677	1.5
273.16464	4.0
275.14340	4.6
275.18002	6.1
276.18445	2.5
277.15997	4.6
277.19580	5.8
279.13831	2.3
279.17337	2.1
279.20895	1.5
281.15485	2.2
285.16376	1.4
287.17871	4.4
289.15930	2.5
289.19571	3.6
291.17300	1.5
293.15430	3.3
293.18762	2.7
301.16135	1.6
301.19550	3.1
303.17517	5.9
303.20847	2.3
305.15561	2.1
305.18924	1.9
305.22705	1.7
307.16995	2.7
311.17786	1.6
313.16071	1.7
315.17587	1.8
319.16803	4.0
319.20380	2.2
321.18665	6.9
321.21912	1.7
322.19174	2.0
329.19214	3.2
331.20682	2.5
333.18460	1.9
344.20978	1.9
345.18344	2.4
347.19891	7.5
348.20380	1.5
349.21469	2.8
351.23035	3.1
355.20731	2.1
361.16745	1.8
361.21521	2.5
362.22366	4.9
383.19852	2.0
397.25537	2.4
401.20734	2.4
401.25259	1.7
407.23495	1.8
415.26401	7.9
417.27908	4.0
418.27924	1.8
419.21124	2.5
419.26447	8.8
425.24869	8.6
433.27313	7.5
435.28882	27.0
436.29398	2.5
443.25763	24.7
444.26306	2.8
459.26813	3.3
461.26846	100.0
462.27295	14.5
475.22943	2.1
479.27914	30.9
480.28363	4.9
493.23929	6.0
519.26044	1.9
554.29077	2.0
564.27631	1.5
582.28796	46.1
583.29254	10.6
600.29956	27.2
601.29803	4.4
619.22632	1.7
622.41742	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
55.05509	8.5
57.07069	1.8
67.05512	7.0
69.03436	1.6
69.05209	8.9
69.07066	4.6
69.68680	0.8
71.04996	1.2
71.47778	0.9
74.09740	1.0
79.05492	4.5
81.03423	1.5
81.07038	6.9
83.04977	1.3
83.08607	2.4
85.06546	6.3
86.00652	1.9
91.05482	8.5
93.07043	8.4
95.04966	1.6
95.08610	17.0
97.06518	0.9
97.10158	3.9
99.08105	1.4
103.05462	1.3
105.07033	15.8
107.04962	2.2
107.08591	12.5
109.06487	1.2
109.10136	2.6
111.08072	1.1
113.05968	1.1
115.05443	3.4
117.06976	5.9
119.08576	20.0
119.90753	0.8
121.06489	1.3
121.10152	5.9
123.04400	1.5
123.08074	3.5
123.11721	1.0
125.09628	2.1
128.06213	3.8
129.07022	7.5
130.07768	1.5
131.04916	1.7
131.08578	12.8
132.01093	2.3
133.06555	1.6
133.10129	17.6
134.10587	1.0
135.08031	1.9
135.11684	6.1
141.06972	4.6
141.09090	5.5
142.07800	2.7
143.08580	12.0
145.06490	2.0
145.10126	14.4
147.08055	2.7
147.11641	5.3
149.09688	1.0
153.06992	2.9
154.07738	2.0
155.08562	12.2
156.09303	3.8
157.06485	1.6
157.10138	12.5
159.08041	2.7
159.11702	8.3
161.09615	2.9
161.13190	1.9
165.07005	4.1
165.16010	1.1
166.07819	1.3
167.08537	4.5
168.09340	2.7
169.10110	12.0
170.10959	2.0
171.08066	4.7
171.11673	9.0
172.08577	1.0
173.09642	11.9
173.13284	3.6
175.11212	4.0
178.07773	1.4
179.08551	4.9
179.75687	1.3
180.09320	3.2
181.10118	6.2
182.10814	1.4
183.08076	2.2
183.11719	5.0
184.12057	1.0
185.09648	3.8
185.13232	4.0
187.11182	9.1
189.07182	1.1
189.12724	2.1
191.08554	2.2
191.10667	1.7
191.14285	2.3
192.09312	3.1
193.10123	7.9
194.10893	3.4
195.08055	2.4
195.11674	10.0
196.11996	1.1
197.09618	4.2
197.13242	4.0
199.07516	1.4
199.11221	4.6
199.14844	1.3
201.09085	1.5
201.12663	2.1
203.14291	1.5
204.09352	2.4
205.10094	5.3
206.10924	5.2
207.11705	10.0
207.13600	1.9
208.12221	2.2
209.09622	2.8
209.13266	5.3
209.15097	1.1
211.11096	6.0
211.14775	2.7
213.09082	1.8
213.12807	5.2
213.16360	2.1
215.08730	2.0
215.10637	7.4
216.09360	2.3
217.10117	3.3
217.12135	1.5
218.11008	2.1
219.09993	0.8
219.11739	10.6
220.12421	2.4
221.09740	2.1
221.13277	15.5
222.13763	1.0
223.07654	1.6
223.11288	4.4
223.14810	6.4
225.12720	3.5
227.14275	1.4
229.10146	4.5
229.12238	1.0
229.15933	2.2
230.10881	3.6
231.11751	7.0
232.12411	3.7
233.13486	6.7
234.13924	1.5
235.11176	3.5
235.14793	3.6
237.12755	4.6
239.10660	4.1
239.14334	2.5
241.10147	1.1
241.12245	5.8
241.15852	2.7
242.10913	1.4
243.11758	5.2
244.12419	5.1
245.13217	8.9
246.13995	4.1
247.11157	1.5
247.14795	8.6
247.16962	1.5
247.73865	1.1
248.11575	1.2
249.12755	3.0
249.16435	1.8
251.10515	1.3
251.14301	2.3
253.12274	2.5
255.13911	3.0
256.12445	2.6
257.13290	5.9
258.14090	3.3
259.11050	1.1
259.14838	11.0
260.15494	3.1
261.12796	1.8
261.16464	6.1
262.13629	1.2
263.14304	2.3
263.17917	1.9
265.12338	6.2
267.13791	3.2
269.13284	2.4
270.14069	1.0
271.14822	4.5
272.15463	2.7
273.12808	2.2
273.16342	7.3
274.16977	2.0
275.14285	3.4
275.17953	6.7
277.15802	3.3
277.19415	1.2
279.13834	1.8
281.15463	1.4
283.13086	2.0
284.15585	1.5
285.16452	5.3
286.16873	1.6
287.17935	4.5
289.15717	2.0
291.14151	1.7
291.17450	1.8
293.15698	1.3
296.15256	1.0
297.16284	1.4
299.17850	3.1
301.15848	3.2
301.19418	2.6
303.14127	2.0
303.17429	3.7
303.20654	1.5
305.15338	2.9
307.17102	1.0
313.15775	1.7
313.19089	1.9
315.17371	2.2
317.15540	1.8
317.18991	2.1
318.15863	1.7
319.12210	0.9
319.16806	4.2
319.20270	1.1
329.15436	1.6
331.10068	2.2
331.17059	2.1
332.10254	1.8
333.18457	1.8
341.19098	1.3
345.18381	4.7
347.20129	1.8
355.20459	1.1
359.20117	1.9
373.21463	2.2
375.23077	2.1
377.21381	1.0
383.23932	1.8
385.21643	1.1
391.26593	1.1
396.04330	1.0
397.25024	3.6
399.27084	1.3
401.24994	6.2
407.23563	1.4
415.26282	7.7
417.27884	13.4
418.28180	1.9
419.25797	3.9
420.26672	1.3
425.24713	9.7
426.24985	1.5
433.21735	1.5
433.27258	9.6
435.24182	1.1
435.29349	1.7
443.25864	17.8
444.26001	1.9
461.26840	100.0
462.27130	14.2
475.22989	1.4
479.27896	16.3
480.28525	2.0
493.23776	6.0
582.28833	24.0
583.28900	2.6
600.29700	8.9
601.30060	1.2
618.14722	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41554	0.8
55.05508	2.9
57.07058	1.0
66.86469	0.7
67.05502	2.7
69.07062	1.1
71.30312	1.2
76.84695	0.8
79.05488	1.8
81.07047	2.6
83.04988	1.8
83.08621	2.2
91.05489	2.3
93.07052	2.0
93.57292	0.8
95.04955	1.1
95.08599	3.1
97.06538	1.1
98.23078	0.7
105.07039	3.9
107.08586	3.2
109.10071	0.8
117.07032	1.0
119.08599	4.5
121.10118	1.6
123.08067	1.1
131.08607	1.6
133.10144	2.4
135.07996	1.1
143.08560	1.5
145.10126	3.1
149.09633	1.2
150.62627	0.8
155.08511	1.3
157.10178	2.3
159.11749	1.4
163.29692	0.9
165.09064	0.9
167.08598	0.8
169.10167	1.5
171.11624	1.4
173.09604	1.0
173.13248	1.1
181.10135	1.3
181.12285	0.8
182.10854	1.0
184.07401	1.3
184.12393	0.9
193.10109	1.3
197.13438	1.2
201.09084	1.1
202.09865	1.9
207.11627	1.6
209.09457	1.2
210.06802	1.5
211.07491	1.7
211.11331	1.0
217.39114	0.8
219.94971	1.1
220.08673	1.0
221.09656	1.0
221.15340	1.6
223.11084	0.8
227.07037	0.9
233.09500	1.1
233.15393	1.1
235.11192	2.8
235.14886	0.8
237.09114	3.6
238.06216	0.9
239.06960	1.1
240.08058	0.8
241.04837	0.9
247.07521	1.1
248.08394	2.6
249.09090	3.6
251.07051	1.2
251.10596	1.3
252.11440	2.0
253.08603	1.2
254.09311	1.4
256.07236	1.2
262.09875	1.3
263.10730	8.2
264.11411	2.4
265.08606	7.8
265.12170	1.5
266.05762	1.2
266.09186	2.4
267.06918	0.9
267.10248	1.2
267.13788	1.7
269.04214	1.0
271.09717	1.7
277.08554	9.0
278.09323	2.4
279.10181	2.3
280.10901	8.4
281.11942	3.9
282.08893	0.9
284.06943	1.1
285.07532	1.9
287.09274	0.8
287.19852	0.8
291.10120	2.2
292.10980	2.3
293.07999	3.7
293.11478	1.6
294.08817	1.8
294.12213	1.3
295.10049	0.9
295.13278	11.4
296.13889	2.2
297.11334	2.7
299.09125	3.1
300.09802	2.4
307.09717	1.1
308.10428	2.6
309.11160	7.6
310.11639	1.1
312.13519	1.5
313.10593	1.3
318.10831	1.2
323.12854	10.5
324.13571	8.1
325.10480	3.9
325.13986	1.1
331.11548	1.3
340.13107	2.7
341.13724	3.3
347.78540	0.8
355.15402	100.0
356.15988	18.6
372.15790	1.2
378.90173	0.8
387.18018	29.2
388.18362	1.9
447.52728	0.8
577.18945	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26358	0.7
57.07068	1.3
67.05494	1.1
69.07042	1.0
69.08570	6.9
73.09953	0.6
75.20003	0.8
79.05484	0.9
81.07049	1.9
87.04472	5.3
93.07068	1.0
95.37490	1.0
98.22960	3.0
109.10139	0.9
111.16555	0.6
119.08543	0.8
150.61079	0.7
192.23647	0.7
201.09093	1.8
202.09857	1.6
209.09650	1.6
210.06779	0.8
211.07555	1.5
219.08092	0.9
220.08917	1.7
221.09616	1.2
224.08171	0.8
225.09123	0.8
229.50990	0.8
233.09518	1.1
235.07658	1.1
235.11140	2.9
237.09137	3.5
238.06161	0.7
238.09956	0.8
238.93401	0.9
239.06981	1.6
240.07663	0.8
247.07578	1.1
248.08357	2.3
249.09094	5.0
250.09830	1.0
251.10677	2.5
252.11429	2.5
252.13857	0.8
253.12433	0.9
254.09351	1.3
256.07391	1.5
257.08054	1.2
261.09222	1.3
262.09885	1.5
263.10690	6.4
264.11331	3.0
265.08615	8.4
265.11884	1.6
266.09351	1.6
267.13776	2.7
269.11694	0.8
271.09518	1.2
276.65167	0.8
277.08609	9.3
278.09241	1.5
279.10098	2.3
280.10925	10.5
281.11682	3.1
282.08887	1.8
284.06613	0.9
285.07498	1.0
287.09213	1.0
291.10007	1.7
292.10913	2.4
293.08026	3.5
293.11462	1.3
294.08929	1.5
294.12469	2.0
295.09924	1.5
295.13229	14.2
296.13724	1.4
297.11234	2.7
299.09216	2.6
307.09824	1.5
308.10226	1.7
309.11206	10.0
318.10739	1.1
323.12701	8.7
324.13501	9.3
325.10666	4.3
325.14227	2.6
327.15982	1.3
340.13168	4.6
341.13763	2.0
355.15396	100.0
356.16003	13.7
387.18027	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.05514	5.1
57.07074	2.6
67.05499	7.3
69.07074	3.4
69.12050	11.0
79.05502	3.3
81.07056	5.1
82.07381	1.1
83.04974	1.2
83.08629	2.3
86.67122	1.0
87.04456	10.7
91.05467	2.9
93.07042	5.7
95.08602	4.6
97.10136	1.1
105.07027	4.4
107.08617	2.7
109.10144	3.8
119.08575	3.1
121.06544	1.5
121.10098	2.1
133.10077	2.3
135.11696	1.8
139.09979	1.2
157.10143	1.1
159.11612	1.8
167.07085	1.3
179.08575	1.3
201.09181	1.8
202.09732	1.5
203.17937	2.2
211.07539	2.0
220.08702	1.7
221.09392	1.3
225.05606	1.5
226.09775	1.2
235.11256	2.5
237.09081	3.5
247.07584	1.3
248.08339	3.1
249.09128	3.4
251.10692	3.2
252.11357	1.4
253.08560	1.4
256.07275	2.6
262.10040	1.5
263.10568	6.7
264.11435	2.8
265.08582	7.2
265.12158	1.8
266.09171	2.2
267.13885	1.5
277.08707	6.8
278.09399	1.4
279.10043	2.1
280.10889	9.3
281.11685	2.9
282.08890	1.2
283.15341	1.7
284.06818	1.9
292.10837	2.3
293.08081	3.1
293.11499	2.6
294.09006	2.5
294.12323	2.1
295.13211	8.0
296.13882	2.1
297.11237	2.9
299.08997	2.6
309.11212	7.8
323.12717	9.2
324.13483	7.9
325.10779	3.4
325.14389	2.2
339.28690	2.3
340.12943	3.9
355.15372	100.0
356.15979	12.6
387.17993	17.4
388.18173	2.2
521.38153	1.8
534.55377	1.2
545.35333	1.3
606.51868	1.2
618.51208	3.4
619.32642	2.2
619.41882	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52589	0.2
61.67059	0.2
62.51332	0.2
62.60425	0.2
70.34365	0.2
70.34720	0.7
72.40191	0.2
86.79847	0.2
141.89854	0.2
201.90633	0.2
307.27454	0.3
323.69107	0.2
375.05545	0.2
619.21490	100.0
620.21844	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2148
Annotation	Kadsuphilol F
Peak:m/z	Relative Intensity
51.28300	0.2
52.08180	0.2
52.16312	0.3
71.30116	0.3
80.56264	0.3
93.07063	0.3
97.02911	0.3
100.86589	0.3
104.58418	0.3
109.22177	0.2
165.09109	0.3
191.46721	0.3
272.05811	0.4
545.21460	0.9
619.21466	100.0
620.21741	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.10942	0.2
60.68806	0.3
66.08029	0.3
69.10614	1.4
69.11034	1.0
70.06565	0.3
105.07072	0.3
123.04473	0.4
138.01450	0.3
167.74783	0.3
214.90778	0.3
242.40013	0.3
251.72250	0.3
283.02530	0.4
473.13913	0.7
489.17123	0.7
601.20477	0.5
619.21484	100.0
620.21826	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89931	1.6
53.03950	3.4
55.05511	81.3
60.29115	1.6
63.48188	1.8
64.31814	2.2
71.29710	3.0
75.87251	1.6
83.04977	100.0
86.56036	1.8
99.04470	12.3
100.91788	1.7
127.03912	5.7
143.34908	1.6
165.07095	2.0
205.06487	2.4
222.06766	2.7
223.07619	2.9
231.35054	1.9
237.05363	2.6
237.09189	4.4
239.03339	6.2
240.07631	2.4
250.06281	2.2
251.03397	6.2
251.07040	4.1
252.04118	3.3
252.07819	3.3
253.04889	2.6
255.06540	3.4
256.07187	2.7
261.16376	2.0
263.06882	5.8
264.07874	2.8
265.04968	4.2
265.08569	7.3
266.05713	6.4
266.08752	2.7
267.03021	2.6
267.06418	4.5
278.05618	2.3
279.06583	10.7
279.09592	2.4
280.07266	4.2
281.07837	2.5
282.05203	5.8
287.09027	2.9
291.06686	4.2
292.07190	2.4
293.04468	4.9
293.08054	11.4
294.05377	3.7
294.08661	7.2
295.06345	4.0
295.09610	10.4
296.06860	2.4
297.07584	31.2
297.10913	1.7
298.07742	4.0
305.07883	2.0
307.05994	6.2
307.09488	2.0
308.06747	5.9
309.07535	3.6
310.04385	2.5
311.05380	4.2
311.08939	3.4
315.08691	4.0
321.07602	2.9
322.08276	2.8
323.05273	2.5
323.09052	36.9
324.06390	2.3
324.09921	4.3
325.07074	5.0
325.10641	6.4
326.07751	4.0
327.12256	4.0
328.12448	2.3
335.08939	2.2
337.10663	5.8
338.11490	2.1
339.08591	5.8
339.12299	6.3
340.09152	2.2
353.10196	3.0
355.11789	11.0
357.13577	9.0
358.13727	11.4
359.14645	3.1
360.15448	2.1
367.11810	8.7
369.13181	4.2
389.10101	3.1
397.12790	18.5
419.11060	12.7
519.08948	3.5
519.16241	53.5
520.16443	5.8
619.21472	51.6
620.21600	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79770	1.0
51.02392	2.9
53.03952	9.5
53.48859	1.0
55.01876	1.3
55.05516	19.0
58.12472	1.2
60.71978	1.0
60.85937	1.0
64.83396	1.2
75.04497	1.4
77.03920	2.2
81.03414	1.3
83.04979	22.0
85.94996	1.1
91.05421	1.7
93.07028	1.4
95.04969	9.2
99.04452	22.3
105.03393	100.0
105.04533	4.3
106.03729	1.8
115.82450	1.3
119.04903	3.0
119.08591	1.9
121.06542	1.4
127.03921	10.0
132.05704	6.3
142.29050	1.2
147.08008	1.8
165.07005	1.1
169.63864	1.2
178.07832	1.5
179.08557	1.3
179.10660	2.4
180.04227	1.3
181.06500	1.9
192.07767	1.3
195.06618	3.5
205.06528	3.0
207.08299	2.1
207.10121	13.3
209.06140	1.3
209.09583	1.4
211.07620	2.3
213.05429	2.2
221.05914	2.2
222.06737	3.3
223.07556	2.1
225.05524	2.2
227.07050	1.4
228.94392	1.2
234.06932	1.9
235.07452	5.0
236.08249	1.9
237.05481	4.2
237.09146	4.4
237.14778	1.0
239.03337	5.8
239.07019	2.7
240.04295	1.6
241.04933	1.4
241.08600	1.9
247.07637	1.2
249.05487	3.1
250.06194	3.6
251.03462	9.5
251.07011	4.5
252.04195	3.9
252.07707	3.0
253.04842	2.3
253.08488	1.8
255.06567	2.1
261.05396	1.2
263.07034	7.4
264.04263	2.7
264.07837	4.4
265.04968	8.4
265.08524	7.8
266.05716	10.7
266.08810	2.4
267.02908	2.6
267.06464	2.8
267.10129	2.2
268.07544	1.8
269.08047	2.4
277.05148	1.9
277.08566	3.8
278.05682	2.3
278.09204	1.4
279.06531	8.6
279.09637	1.9
280.03897	2.3
280.07251	8.8
281.04849	2.0
281.08066	5.4
282.05222	3.9
282.08603	1.8
283.01965	1.4
283.06210	2.6
283.09503	1.6
290.05399	1.1
291.06573	6.7
292.07217	8.3
293.04428	5.4
293.08066	9.2
294.05234	8.7
294.08841	5.0
295.05997	4.3
295.09637	10.6
296.06805	3.8
296.10025	1.7
297.04260	1.7
297.07614	27.6
297.11108	2.9
298.04755	1.8
298.07993	4.2
299.05566	1.8
299.09052	2.4
304.07175	1.3
305.07993	4.6
306.08890	3.1
307.05960	6.0
307.09592	3.2
308.06848	9.9
308.10162	2.1
309.04343	1.2
309.07520	6.6
309.10995	2.4
310.04639	1.3
310.08212	2.5
311.05478	7.1
311.09155	3.7
312.09769	1.8
313.07077	4.2
314.07697	1.4
320.06943	2.4
321.07684	5.3
322.08279	8.8
323.05246	2.2
323.09125	43.5
324.09897	8.3
325.06998	6.5
325.10724	5.8
326.07828	10.8
326.11246	2.1
327.08597	3.5
327.12134	2.5
334.08240	1.5
335.09094	2.3
336.09772	2.9
337.06979	4.4
337.10709	6.1
338.07654	1.4
338.11618	1.9
339.08578	6.0
339.12332	3.7
340.09393	5.0
341.09970	3.2
348.10068	3.0
349.07010	2.9
349.10913	2.5
350.07809	2.5
351.08517	2.5
351.12286	2.1
353.10205	27.1
354.10715	4.2
355.11755	30.0
356.12173	2.0
357.09744	5.5
364.09351	1.8
365.10281	6.0
366.10919	7.0
367.11813	12.4
369.13425	8.6
370.76691	1.2
379.11771	9.8
380.12012	1.2
382.10516	2.3
397.12823	19.0
398.13168	1.5
399.14059	2.7
419.11026	2.2
432.11945	2.6
462.13077	2.3
468.98035	1.2
477.15198	1.4
519.16492	6.9
619.21503	13.9
620.21838	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.8
55.05274	6.6
55.05513	94.3
57.40528	4.4
83.04981	100.0
87.04483	4.9
89.36868	3.6
89.57250	3.5
99.04445	42.8
104.87747	4.8
105.03395	9.9
127.03910	10.1
132.05711	15.6
143.91515	4.2
147.08076	4.7
175.92143	4.4
195.08037	6.8
207.10149	41.8
219.07951	5.8
222.06689	6.9
225.05455	7.4
235.07573	8.4
235.53113	5.0
237.05385	7.4
240.04079	5.1
249.05594	9.9
250.06216	6.0
251.03355	15.2
251.06992	12.4
254.05812	6.4
263.07126	8.4
265.04929	11.6
265.08499	11.3
266.05634	15.3
267.06458	10.6
268.07455	6.0
269.08154	7.6
279.06430	9.5
280.07291	16.5
281.04453	7.2
281.07837	8.0
282.05148	11.5
283.05884	7.6
291.06335	12.2
292.07211	9.9
293.04620	7.6
293.08069	18.0
294.05289	9.4
294.08664	7.1
295.06030	11.0
295.09567	12.9
296.06876	6.6
297.07486	50.1
305.08008	10.0
307.05972	9.6
308.06738	16.6
309.07465	12.8
309.11023	6.0
310.08002	5.5
311.05478	18.3
311.08786	4.9
312.06311	4.6
313.06979	12.5
314.07684	5.9
321.11166	5.3
322.08279	13.3
323.09106	63.4
324.09625	11.1
325.07111	12.7
325.10611	15.3
326.07843	22.5
327.08539	7.9
328.09360	8.7
329.10080	6.8
333.07639	6.3
337.10770	16.1
339.08582	10.1
339.12283	8.0
340.09412	17.4
344.51227	4.8
353.10031	28.0
354.10602	5.8
355.11743	51.6
357.09634	22.5
365.09976	8.8
366.10815	15.5
367.11734	18.9
369.13278	13.3
379.11539	23.7
397.12839	25.5
410.13611	6.2
588.38275	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42955	0.5
53.03952	3.3
53.99286	0.6
55.05513	14.4
58.10444	0.8
69.43594	3.7
83.04977	9.7
88.55248	0.6
95.04979	2.0
104.56163	0.6
105.03393	20.0
105.04488	1.5
121.56946	0.6
137.80841	0.6
165.05530	0.7
165.06841	0.7
171.71494	0.7
186.04990	0.7
203.08575	1.1
204.09256	0.8
205.06548	1.0
206.07259	0.7
219.08049	1.7
220.08772	1.4
231.07892	0.8
232.08856	0.7
233.06003	0.9
233.09573	1.3
235.07520	1.7
245.06140	0.9
247.07567	2.5
248.08231	3.9
249.09106	2.0
259.07626	1.3
260.08350	2.0
261.09088	3.2
262.06360	1.4
262.09802	1.3
263.07062	3.7
263.10648	4.8
264.07889	1.8
265.08615	2.1
274.06329	0.9
275.06967	4.4
275.09775	0.6
276.07788	4.6
277.08539	5.7
278.09280	2.9
279.06851	1.1
279.10095	4.2
287.06839	0.9
288.07755	1.7
289.08444	3.6
289.79193	0.7
290.06110	0.7
290.09277	3.3
291.06534	5.0
291.10138	8.8
292.07227	2.7
292.10751	2.1
293.08063	3.4
293.11298	0.7
303.10248	0.9
304.07309	2.9
305.08026	4.9
306.08841	5.1
307.09647	3.6
308.10382	2.0
316.07272	2.7
317.08215	2.0
318.08737	3.1
319.05957	3.4
319.09674	6.0
320.06766	4.8
320.10403	2.8
321.07529	3.8
321.11230	3.0
323.09232	1.2
323.12778	1.1
331.09671	1.4
333.07611	1.0
334.08432	8.5
335.09106	26.5
336.06277	1.0
336.09622	3.9
349.10678	13.1
350.11441	25.2
351.08478	2.1
351.12213	11.3
366.11014	2.8
381.13306	100.0
382.13635	11.2
456.05649	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.05511	10.6
59.04997	1.1
67.05493	8.2
68.05833	0.9
69.03432	1.5
69.07056	6.4
71.04990	1.2
74.30561	0.9
79.05495	8.4
81.03424	4.3
81.07063	12.7
82.07395	1.0
83.04984	2.1
83.08627	3.4
84.59316	0.8
85.02912	1.5
85.06533	2.7
88.03954	1.2
91.05475	11.4
93.07052	9.6
93.19812	0.9
95.04956	3.4
95.08610	13.7
96.08939	0.9
97.02919	0.9
97.06566	1.1
97.10165	7.1
105.04511	0.8
105.07035	15.1
107.04979	1.5
107.08601	12.3
109.06541	4.3
109.10139	5.3
111.02688	0.9
113.06029	0.9
115.05441	1.5
117.06999	4.5
119.08582	13.1
121.06483	2.3
121.10137	6.3
123.04454	0.9
123.08057	1.6
123.11711	2.5
125.09554	1.8
127.07533	1.0
128.06221	3.8
129.07016	7.4
130.07797	1.0
131.04909	2.4
131.08575	10.7
132.01158	2.2
133.06407	0.9
133.10100	8.4
135.08052	3.1
135.11696	5.6
137.09662	0.9
137.13327	1.3
141.06995	2.9
141.09102	1.2
142.07771	3.2
143.08574	10.0
145.06517	2.4
145.10118	12.8
147.08086	1.4
147.11655	4.8
149.09598	2.6
149.13170	1.1
151.07402	1.2
153.06937	1.3
153.09100	1.0
154.07793	2.2
155.08559	13.7
156.09216	1.3
157.06383	1.4
157.10121	11.0
159.08063	2.5
159.11649	7.7
161.13300	1.4
163.11200	1.0
165.07016	2.8
166.07675	1.5
167.08569	5.3
168.09373	1.9
169.10150	9.6
170.10812	1.3
171.08041	3.3
171.11726	5.2
172.88559	0.9
173.05963	2.3
173.09673	8.2
173.13289	3.2
175.11154	3.2
175.14755	1.3
176.44688	0.8
177.09128	1.0
178.07870	1.2
179.08588	5.8
179.10208	0.8
179.10512	0.9
180.09302	2.5
181.10081	7.2
182.10909	1.0
183.08112	1.9
183.11729	5.1
185.09583	5.1
185.13272	1.9
187.11189	3.5
187.14856	1.8
189.12790	1.6
191.08557	2.8
191.10625	1.5
191.14273	1.1
192.09322	5.3
193.10136	11.1
193.11859	1.6
194.10811	3.3
195.08063	1.5
195.11693	13.0
196.12280	1.9
197.09575	4.2
197.13275	4.5
199.07556	2.9
199.11179	3.7
199.14700	1.4
201.07370	1.0
201.09093	2.6
201.12776	1.3
203.08693	2.2
203.10785	1.0
204.09358	1.7
205.10187	5.9
206.10835	5.8
207.11714	13.7
208.12328	2.1
209.09627	4.0
209.13249	7.1
211.11217	5.4
211.14784	2.5
213.09146	2.0
213.12741	4.3
215.10690	3.7
216.09308	1.1
217.04977	3.1
217.10187	3.7
218.10931	3.5
219.08211	1.6
219.11830	10.4
219.13719	1.8
220.12383	3.7
221.13261	16.3
222.10527	1.4
222.13861	1.9
223.11205	5.6
223.14841	5.3
225.12733	4.2
227.10686	2.2
227.14185	1.0
228.81638	1.2
231.11850	4.7
231.13734	1.4
232.12479	4.3
233.13251	7.7
234.13921	1.4
235.11162	2.4
235.14847	5.5
237.12761	6.5
237.16383	1.8
239.10631	3.4
239.14326	2.1
241.12267	5.4
243.11713	1.7
245.13306	7.5
246.13980	3.7
247.11101	1.8
247.14767	8.9
248.15477	1.2
249.12764	6.4
249.16364	3.9
249.18733	1.1
250.13194	1.0
251.10725	1.9
251.14322	2.4
251.18056	1.1
252.30916	1.0
253.12369	1.3
255.13742	5.6
257.15527	1.1
258.14099	1.0
259.14926	5.0
260.15594	2.1
261.12915	2.1
261.16382	11.0
263.14362	2.3
263.17996	1.4
265.12262	8.1
265.15842	2.0
267.13776	15.6
269.15454	1.2
271.17188	1.2
273.16382	2.2
274.17001	1.2
275.14301	2.5
275.18008	4.4
277.12775	1.0
277.15842	2.2
277.19467	2.7
279.13965	2.0
279.17407	3.2
281.15457	4.9
283.13553	1.4
285.16382	1.3
287.14413	1.4
287.17767	1.7
289.16025	2.1
291.14008	1.8
291.17343	1.8
293.15335	6.5
293.19022	2.5
294.15857	1.0
303.17456	4.1
303.20792	1.1
305.15289	2.5
305.18933	1.3
307.16873	5.4
315.17215	1.4
318.19601	1.0
319.16855	3.6
319.20343	1.0
320.17642	1.8
321.18460	13.7
322.18988	1.7
323.20105	2.2
329.14160	2.2
329.18671	1.1
339.19522	1.3
347.19888	4.0
361.21725	1.5
375.22977	1.3
377.24561	1.5
380.30478	0.9
385.16382	1.7
385.25302	1.6
387.23022	1.2
389.28711	1.1
391.25995	1.1
399.26892	2.1
403.26645	9.6
404.26865	1.3
405.23981	1.1
409.25281	3.2
417.28067	8.1
419.29504	12.5
420.29660	1.2
421.27756	5.1
427.26486	7.7
435.28998	7.5
437.26367	2.1
438.19861	1.4
445.27429	24.9
446.27740	2.8
463.28421	100.0
464.28857	10.6
481.29376	11.4
482.29807	2.2
495.25455	3.6
584.30243	18.9
585.30426	2.6
602.31476	9.3
603.30731	2.7
620.17896	1.4
621.30511	2.9
626.26569	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25139	1.1
52.88034	1.0
55.05513	25.9
59.72899	1.1
67.05493	1.4
69.30765	8.1
73.49889	1.0
83.04980	24.0
84.81572	1.0
93.07063	1.5
95.08603	1.2
98.23292	2.0
143.08553	1.2
159.08044	1.9
165.05530	1.5
165.06897	2.4
167.03246	1.2
167.07018	2.0
169.84013	1.2
178.38243	1.1
179.08578	1.5
182.07260	6.0
188.08362	2.4
195.08075	1.7
197.09615	5.1
199.04024	1.0
199.07613	1.9
203.10632	6.7
210.06793	7.9
211.07408	1.3
223.07503	2.8
225.09081	25.5
226.06133	1.8
227.06990	1.8
235.07579	1.8
238.06236	8.1
239.06888	1.5
240.07820	2.9
241.08418	1.8
242.09251	2.8
248.08441	1.0
250.09929	2.1
251.06975	3.5
252.07899	3.3
253.08611	25.5
254.05843	1.6
254.09036	1.1
255.06573	1.5
255.10153	2.0
263.06973	2.2
266.05734	3.8
267.06421	2.1
267.10251	2.2
268.07352	3.6
269.08029	1.6
270.08813	2.4
271.06155	1.2
277.08493	2.1
278.09329	2.8
279.10089	2.4
280.07413	2.3
281.08078	39.4
282.08575	3.6
283.06586	1.4
283.09625	5.2
285.04001	2.1
285.11276	3.5
291.10056	1.4
293.08148	2.1
293.11734	4.1
295.09549	2.7
297.07578	2.1
298.08270	3.3
300.06244	2.7
305.08191	1.4
311.09140	23.8
312.09872	3.3
313.07153	2.7
313.10678	9.2
315.08658	10.4
317.06613	1.7
321.07599	1.9
321.11008	2.6
323.09109	2.2
323.12839	2.9
325.14182	6.2
327.08481	1.3
328.09363	4.0
336.09845	1.9
337.10480	1.2
343.11758	100.0
344.12100	6.0
351.12265	10.6
352.12900	5.1
352.17065	1.1
353.13837	9.7
383.09988	1.9
383.14877	34.8
384.15283	2.3
400.11328	1.9
421.10257	6.5
425.15906	2.3
439.11597	1.6
521.07965	2.3
521.15735	47.0
522.16113	3.9
621.19659	2.1
621.28284	1.5
621.40057	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13717	0.5
58.01113	0.5
60.05604	2.0
60.22211	0.5
98.22565	1.0
99.13141	0.6
107.08556	0.6
109.75191	0.5
121.06592	0.5
134.07127	0.5
137.05898	1.0
146.03342	1.7
150.85399	0.4
159.04166	1.4
189.05225	1.3
193.92221	0.5
197.05743	0.6
204.07596	9.7
227.06781	2.1
259.09399	5.5
279.06293	1.3
287.08847	1.6
294.08630	8.8
295.09418	1.0
319.11523	39.2
320.11807	1.7
325.10449	100.0
326.10812	6.4
343.11697	0.7
366.13193	2.0
621.23071	56.1
622.23395	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.3
56.24899	0.6
69.15873	6.0
75.04517	0.7
81.07056	0.8
81.86409	0.6
83.04964	6.5
91.05470	1.3
99.04463	0.7
104.10744	1.1
157.10182	0.7
165.05424	1.4
175.07602	0.9
178.07796	0.7
179.08569	1.8
194.07272	1.6
195.08035	1.4
196.08784	0.7
197.06073	1.0
198.06805	0.9
205.06493	2.5
206.07184	1.5
207.08049	2.2
209.05864	1.6
209.09560	1.2
211.07599	2.0
213.05666	0.8
213.09180	0.7
219.08051	1.5
221.05826	1.3
221.09584	1.5
222.06807	3.3
223.07492	1.9
224.08299	3.2
225.05409	2.1
225.08986	1.4
226.06305	2.0
227.07024	1.1
233.05911	1.7
234.06720	1.9
235.07497	4.4
236.08336	1.7
237.05473	3.5
237.09125	4.6
238.06244	2.0
239.07033	2.7
239.10628	2.4
240.07741	2.0
241.04868	1.0
241.08533	2.0
247.07503	1.0
248.08432	0.9
249.05595	1.6
249.09053	2.3
250.06297	4.8
250.09724	0.8
251.07042	4.8
252.07782	7.4
253.04930	1.9
253.08679	3.5
254.05803	4.1
255.06374	2.4
255.10074	1.1
256.07275	1.7
257.04550	1.8
263.07056	3.0
264.07806	2.2
264.87195	0.7
265.05038	1.6
265.08594	7.8
266.06339	0.7
266.09262	4.3
267.06570	4.0
267.10153	11.0
268.07367	4.6
268.10086	1.1
269.08167	3.6
270.05389	0.8
271.06104	2.0
277.05078	0.9
277.08469	1.6
278.05487	1.0
279.06476	3.4
279.09869	1.2
280.07376	6.1
281.05182	0.9
281.08084	5.1
281.11331	1.2
282.05426	1.0
282.08871	3.4
283.06082	1.6
283.09445	1.6
284.06720	3.0
284.10049	1.3
285.07611	1.8
291.06705	1.6
291.09854	1.0
292.07233	1.8
293.08069	12.0
294.05515	1.2
294.08746	3.7
295.06009	3.7
295.09567	21.2
296.06744	2.6
296.10287	2.1
297.07559	4.6
297.11160	3.2
298.08096	1.3
299.05704	1.1
299.09091	4.3
300.06165	2.8
305.08014	1.3
306.08826	1.1
307.06046	1.0
307.09506	1.4
308.06830	1.2
308.10190	0.8
309.07489	4.2
309.11304	2.2
310.08224	4.3
311.08969	4.1
312.09824	2.8
313.07019	2.7
314.07806	1.4
315.08688	8.8
322.04666	1.1
323.09103	3.5
324.09802	2.6
325.07071	1.3
325.10654	17.2
326.11353	3.2
327.08594	9.5
327.12268	4.1
328.09415	4.4
329.06674	1.3
329.10162	5.8
333.07361	1.2
335.05334	0.8
335.09009	1.5
336.09521	1.0
337.06763	2.1
337.10583	1.5
339.12259	1.7
340.09476	1.6
341.10165	2.9
342.10931	12.0
342.14761	1.2
343.11499	1.3
347.08835	1.9
350.11404	1.9
351.08591	1.2
352.09271	1.1
355.08231	1.5
355.11758	28.9
356.12244	3.3
357.13284	29.0
358.13684	2.7
359.11108	0.9
363.08328	2.1
367.11777	4.0
368.12561	1.4
369.13510	2.1
370.10583	1.2
371.14917	1.3
375.08426	1.3
377.09998	2.2
378.10748	1.1
381.13242	3.7
390.10715	2.7
391.07520	1.4
391.11938	1.4
399.14334	7.5
403.11819	1.3
406.10107	3.0
421.12549	100.0
422.12863	7.8
462.15280	1.2
475.51758	0.8
506.15289	1.1
521.17786	60.0
522.18024	6.8
621.22803	18.9
621.38977	1.8
622.23126	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.05510	44.6
57.07075	1.8
67.90153	0.9
69.87388	3.9
83.04980	49.7
86.11104	0.9
91.05484	1.5
99.04450	24.7
99.32454	1.0
104.57493	1.0
105.03400	8.0
111.95306	0.9
115.05490	1.0
118.12012	1.0
119.04935	3.7
119.08572	1.4
121.06477	1.3
121.98191	1.1
126.05600	1.0
126.67543	0.9
127.03903	11.8
127.26110	1.0
129.06874	1.1
132.05730	4.2
137.02376	1.6
147.08072	2.4
156.26453	1.0
164.89615	0.9
165.07059	1.7
171.63721	1.0
175.07539	1.8
176.10506	1.1
179.10626	1.8
180.04208	1.9
191.08640	1.1
194.07257	1.6
195.06508	2.5
197.06120	1.0
205.06641	1.4
205.47845	1.1
207.08238	1.5
207.10117	10.5
211.07661	1.3
219.08273	1.1
221.09700	1.2
222.06715	1.6
223.07455	2.2
225.05446	1.5
225.09201	1.0
226.06107	1.2
227.07069	1.5
235.07539	2.1
237.05531	1.9
237.09090	3.6
239.07001	2.1
240.04111	1.3
247.07608	1.7
249.05472	1.4
250.06248	3.6
251.03535	2.4
251.06967	3.1
252.04207	2.2
252.07751	1.9
253.05107	1.9
253.08597	3.2
255.06601	3.0
262.06393	1.6
263.07037	5.5
264.04227	1.4
264.07806	3.4
265.04990	4.6
265.08472	6.6
266.05710	3.1
266.09430	1.3
267.06567	4.5
269.08099	1.3
277.05371	1.1
277.08643	3.2
278.05801	1.4
278.09247	1.5
279.06607	7.8
279.09769	2.3
280.04248	1.3
280.07184	4.9
281.04523	2.9
281.08173	4.2
282.05316	2.6
283.06143	2.5
283.09805	1.7
285.07458	1.4
291.06665	3.4
292.03867	1.9
292.07172	2.0
293.04514	4.0
293.08188	5.8
294.05176	3.7
294.08887	5.9
295.06046	5.3
295.09689	10.0
296.06885	2.4
297.07648	9.1
297.11099	2.7
298.08246	1.4
305.08054	2.8
306.08807	2.2
307.06143	2.8
307.09695	2.6
308.06839	8.3
308.10114	1.6
309.07596	3.2
310.04688	1.6
310.08371	1.7
311.05524	3.4
311.09137	2.5
313.07071	3.8
315.08939	1.2
321.07681	2.6
322.08450	4.1
323.09137	25.7
324.06299	2.6
324.09872	3.4
325.07077	5.0
325.10748	4.4
326.07819	4.1
326.11459	1.9
327.08475	1.3
327.12292	2.0
333.07672	1.4
337.10672	7.1
338.11484	1.5
339.08688	5.1
339.12445	3.8
340.09442	3.7
345.07080	1.6
347.09247	2.2
353.10226	3.3
354.10638	2.5
355.11771	14.9
356.12149	1.4
365.10391	4.1
367.11749	4.7
369.13248	5.2
379.11810	2.6
389.09958	2.7
397.12772	10.7
419.11044	10.0
519.16180	28.1
520.16559	2.7
521.17407	2.0
621.23010	100.0
621.39648	3.1
622.23303	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.4
51.76660	0.3
53.03743	0.3
53.03943	2.9
54.07673	0.4
55.01854	0.4
55.05492	1.2
57.07077	0.6
65.03944	0.4
67.05505	3.3
68.99786	0.5
69.07073	1.7
71.30680	0.5
73.91294	0.3
77.03910	0.6
79.05481	0.5
81.03399	1.0
81.07038	0.8
83.05003	1.7
85.06548	5.1
85.34907	0.4
91.05462	0.6
93.07022	0.6
95.04968	5.8
105.03392	41.3
105.04527	1.7
105.07022	0.5
106.03708	0.8
113.06005	16.4
115.05457	0.5
116.49589	0.3
117.07072	0.4
128.06226	0.6
129.07005	0.4
131.07053	1.3
139.05492	0.5
141.07039	0.4
143.08540	0.6
152.06180	0.5
153.07022	1.0
155.08568	0.6
156.05728	0.3
159.08002	0.6
165.07008	1.1
167.08542	0.4
168.05704	1.2
169.06406	0.4
170.07153	0.5
171.08028	2.4
181.06448	0.8
182.07283	0.9
183.08069	3.9
185.05978	1.1
185.09621	1.1
188.08302	0.8
196.05174	1.0
197.05942	0.6
197.09633	1.4
198.06714	1.2
199.07533	6.0
200.08171	0.5
203.10629	2.1
208.05296	0.4
208.08769	0.6
209.05919	0.9
210.06802	2.3
211.07538	8.1
212.08211	1.3
213.05510	1.5
213.09023	2.8
214.06155	0.5
215.07028	0.5
222.06746	1.0
223.07481	2.4
224.04677	3.1
225.05501	0.6
225.09085	0.9
226.06235	1.9
227.07050	1.5
228.07823	4.4
229.08363	0.4
235.07666	0.4
235.09630	11.4
236.08194	0.4
237.05534	0.5
238.06143	2.5
239.07022	19.2
240.04189	2.3
240.07530	1.9
241.04803	0.8
241.08598	6.4
242.05695	2.1
242.09154	0.6
243.02840	0.5
243.06523	0.6
243.10161	0.7
249.09116	0.4
250.06258	0.5
251.07034	2.8
251.10567	0.6
252.04173	7.5
252.11394	0.5
253.04964	4.5
253.08580	2.5
254.05743	4.5
254.08424	0.5
254.09334	0.5
255.06519	1.4
255.09952	0.4
256.07309	4.3
257.04514	0.4
257.08026	1.7
261.09106	0.4
263.07022	0.6
263.10690	0.7
264.07947	1.6
265.05045	1.2
265.08536	1.2
266.05713	2.5
266.08447	0.3
266.09503	0.4
267.06519	100.0
268.03873	0.5
268.06937	6.6
269.04968	0.5
269.08096	9.3
269.11243	0.6
270.05359	0.6
270.08548	0.6
271.03064	0.3
271.06030	2.1
271.09644	4.6
277.08594	0.4
278.09167	0.7
279.06525	1.1
279.10141	2.8
280.07336	0.7
280.10904	0.6
281.08115	4.1
281.11496	0.6
282.05215	1.7
282.08209	0.7
283.05948	1.1
283.09650	3.5
283.12848	0.5
284.06747	2.4
285.07581	2.0
286.04813	2.5
286.07727	0.6
287.05283	0.7
287.08841	0.5
291.06723	0.5
291.10092	0.6
293.08066	1.7
293.11575	0.8
294.05237	1.4
294.08569	0.8
295.06030	0.7
295.09424	0.5
296.06674	1.0
296.09982	0.4
297.07571	59.5
298.07962	4.0
299.05585	2.4
299.09125	10.9
300.05942	0.5
300.09332	0.5
301.07123	2.9
306.08865	0.9
307.05984	1.1
307.09619	2.9
309.07550	5.7
309.11203	1.8
310.08014	0.6
311.09143	1.1
312.09671	0.6
313.07108	2.4
314.07831	18.3
315.08209	1.0
321.07626	0.7
321.11148	0.4
322.08212	1.2
323.09048	0.9
323.12695	0.4
324.09949	0.9
328.09323	1.4
329.10181	95.0
330.10507	6.5
337.10678	4.5
338.11157	1.1
339.08670	0.6
339.12277	5.8
340.12561	0.5
341.10364	0.7
351.12320	5.8
352.12674	0.6
354.10959	3.5
369.13345	6.8
370.13577	0.5
381.13342	1.6
413.15924	13.7
414.16306	1.2
431.13165	1.0
453.18750	0.9
459.16556	6.1
460.16977	0.8
499.19669	4.6
561.23602	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.9
55.05510	33.8
56.05844	8.0
57.07080	40.4
60.22377	4.5
61.42113	4.5
69.28308	36.0
83.04990	26.0
84.05322	13.2
91.05437	9.9
98.23406	9.2
99.04448	56.4
100.04779	4.6
105.03387	22.2
107.04925	6.0
119.04947	15.0
127.03917	28.1
132.05719	18.5
145.06371	5.0
147.08063	10.8
154.18886	4.4
155.44034	4.8
177.73402	4.7
179.10703	6.4
194.07469	6.0
195.06511	21.0
205.06566	5.5
207.10150	51.8
222.06635	6.2
235.07295	7.3
237.05478	9.0
237.09157	10.1
240.04109	5.5
241.04968	8.0
247.07274	5.0
249.05452	8.6
251.03427	15.5
251.07025	6.2
252.03833	5.6
252.07739	6.1
253.04675	5.6
253.08452	6.4
255.06445	11.5
256.07410	12.7
257.08023	7.1
263.06964	8.7
265.04880	15.1
265.08606	17.4
266.05759	10.0
267.06250	9.2
268.03687	6.3
269.08203	6.5
278.05884	6.8
279.06485	18.4
279.09430	5.5
280.07214	17.7
281.04355	7.3
281.08054	10.9
283.05875	10.4
285.07413	7.1
287.09204	30.8
291.06448	11.0
292.07239	10.0
293.04620	8.8
293.08041	19.8
294.05200	16.0
294.08505	11.4
295.06128	6.7
295.09552	19.0
296.06503	8.1
297.04572	5.6
297.07550	32.8
298.07999	11.7
299.05377	7.7
307.05975	14.9
307.09277	7.8
308.06625	20.6
309.07343	15.2
310.08066	7.4
311.05374	17.6
311.08817	10.1
313.06982	22.9
315.08627	24.1
322.08203	18.3
323.09103	100.0
324.09692	24.3
325.06738	10.0
325.10336	15.3
326.07736	28.6
326.11063	6.1
327.08438	6.9
328.09354	11.8
329.10052	6.5
337.10693	14.9
339.08554	9.2
339.12436	10.3
340.09247	10.7
343.08200	13.5
353.10205	39.4
354.10544	6.3
355.11755	81.2
356.11911	12.5
357.09320	10.5
365.10123	11.1
366.10397	7.6
367.11548	16.4
369.12997	18.8
379.11713	20.7
397.12869	40.2
415.14008	13.5
457.18375	6.9
459.55893	6.3
621.22040	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62119	0.2
61.23408	0.2
73.39484	0.2
74.40544	0.2
80.02402	0.5
109.02669	0.6
112.24218	0.2
129.16293	0.2
139.03983	0.3
152.04514	0.7
179.06831	0.6
180.07632	0.3
184.80695	0.2
200.16664	0.2
229.22549	0.3
249.10985	2.3
250.11766	0.4
252.35507	0.2
259.13107	0.3
370.17245	0.2
433.18430	0.4
441.97433	0.2
445.22012	0.4
455.20633	0.2
473.21332	0.5
475.13831	0.3
483.23685	1.4
493.21625	0.4
495.23935	0.3
501.24948	1.5
511.23428	1.7
513.24420	0.7
515.22424	1.1
526.82886	0.2
529.24011	5.5
530.24493	0.4
531.25256	1.1
541.24121	1.1
557.23535	1.7
559.25055	2.7
560.25208	0.3
575.24579	2.1
585.23047	0.3
593.25421	0.8
603.24115	9.3
604.24524	0.8
621.25140	100.0
622.25464	11.2
622.35840	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2518
Annotation	Rubellin
Peak:m/z	Relative Intensity
57.87761	0.2
61.72821	0.2
70.47141	0.4
70.47488	0.5
80.02393	0.5
81.03391	0.2
86.29195	0.2
88.96076	0.2
91.05497	0.3
93.07044	0.5
95.04988	0.3
95.08617	0.2
100.11272	0.3
103.52408	0.3
105.07092	0.3
109.02673	0.9
109.10146	0.4
118.96032	0.2
149.09644	0.3
152.04480	0.6
163.18788	0.3
173.07187	0.3
174.07980	0.3
174.92651	0.2
177.08876	0.3
179.06892	0.7
188.99321	0.2
213.05447	0.4
214.81252	0.2
249.10994	1.8
250.11769	0.6
259.13040	0.6
297.53903	0.3
303.15918	0.3
355.15369	0.6
373.16183	0.3
375.17477	0.3
387.18234	0.6
429.19266	0.6
433.18604	0.4
445.22025	0.4
473.21497	0.8
483.23694	1.4
501.24976	1.5
511.23026	1.5
513.24817	0.4
515.22577	1.0
523.22919	0.4
529.24011	5.6
530.24591	0.9
531.25702	1.0
539.22644	0.3
541.24146	1.6
547.25250	0.3
557.23242	2.2
559.25079	4.5
560.25244	0.5
575.24805	2.5
576.25067	0.4
585.23370	0.6
593.25476	0.5
603.24121	12.3
604.24249	1.7
621.25134	100.0
622.25482	10.7
622.35938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53876	0.4
54.83748	0.4
56.19100	0.4
56.68480	0.4
57.58171	0.5
61.93090	0.4
69.72974	2.1
73.63521	0.4
84.01974	0.4
147.52237	0.5
198.87074	0.4
207.09113	0.4
219.25098	0.4
221.10703	0.4
222.07933	0.5
223.12303	0.5
256.59692	0.4
260.68286	0.4
298.13232	0.6
314.92215	0.4
373.14688	0.8
374.15134	1.0
375.16043	1.0
387.16086	1.2
388.16992	0.9
389.17639	3.0
390.18311	1.7
391.19260	0.6
400.17090	0.6
401.17676	1.5
402.18433	1.3
403.19409	5.8
404.19968	3.4
405.20636	2.0
415.19183	1.2
416.15707	1.0
416.20599	0.9
417.16107	5.1
417.21143	2.9
418.17087	1.0
418.22110	1.0
419.17078	0.7
419.22342	8.6
420.22717	0.9
429.16647	1.2
429.21640	0.5
430.17191	1.9
431.18048	7.0
431.23410	0.8
432.18991	2.9
433.19919	2.4
443.18430	0.9
444.19376	0.9
445.20123	7.5
446.20898	5.9
447.15912	0.9
447.21805	11.7
448.22281	0.9
458.21176	0.6
459.17407	1.4
459.21948	3.0
460.18036	0.7
460.23416	0.7
461.19754	1.1
463.21091	0.9
473.19714	1.5
474.20425	12.7
475.21204	16.7
476.21655	1.9
478.23721	0.6
487.21252	4.2
488.22000	2.0
491.20578	0.8
501.23090	1.9
505.26755	2.0
517.22461	0.7
518.22992	1.0
520.25238	0.5
529.22095	0.9
531.36652	0.5
533.25549	12.1
534.25629	1.5
545.21735	0.6
546.22577	1.2
561.24957	87.8
562.25317	12.1
589.24652	2.5
589.86395	0.5
590.24451	0.5
593.27466	4.3
621.27026	100.0
622.27332	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2701
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.01741	0.4
61.13628	0.5
61.42942	0.5
61.67993	0.5
63.87636	0.5
70.51151	0.9
70.51491	0.6
71.84589	0.5
75.85242	0.5
97.45965	0.5
104.99488	0.5
108.08099	0.5
126.95737	0.4
159.03931	0.5
221.10776	0.7
375.15997	0.8
376.16833	0.5
387.16089	0.7
388.16937	0.8
389.17633	3.3
390.18356	1.9
391.19086	1.0
391.70612	0.5
401.17633	1.4
402.18439	1.4
403.15408	0.5
403.19434	4.3
404.20169	2.9
404.52664	0.5
405.20804	2.3
416.16422	1.9
417.16095	4.1
417.21198	2.5
418.17166	0.9
418.21945	1.2
419.22357	8.6
420.23206	0.8
429.21292	0.6
430.17892	1.7
431.18140	7.6
431.23709	0.6
432.18991	3.5
433.19775	2.8
443.18484	0.7
445.20145	7.1
446.20908	10.4
447.21683	10.8
448.22244	1.4
457.20392	0.8
459.17737	2.1
459.22211	2.4
460.18631	0.5
460.22833	0.6
461.19333	2.7
473.18976	0.9
473.23807	1.4
474.20364	8.5
475.21225	12.2
476.22025	1.0
486.20282	0.8
487.21210	4.4
488.21906	1.3
489.22815	0.5
491.21103	1.9
492.25076	0.6
501.22922	2.5
504.20682	0.6
505.25934	1.8
518.22791	1.3
519.20410	0.9
529.22546	0.8
533.25507	20.3
534.25586	2.0
546.22565	0.9
561.24957	28.2
562.25360	3.0
589.24615	1.7
593.27759	3.8
621.27039	100.0
622.27386	13.7
640.91809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.271
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.32191	0.8
55.05507	1.6
57.07066	2.4
61.37458	0.7
62.03953	0.8
67.05512	4.3
69.07085	1.7
69.27662	0.7
70.09670	0.9
71.08640	1.0
79.05498	2.1
81.03424	1.3
81.07063	4.1
83.04992	1.2
83.08636	1.5
87.04427	0.7
91.05506	2.3
93.07064	3.2
95.04973	1.3
95.08603	4.3
98.92423	0.7
98.98471	1.1
105.07043	2.4
107.08600	2.2
108.17406	0.8
109.06479	0.9
109.10163	2.3
119.08621	2.6
120.61276	1.0
121.10177	2.7
123.11745	1.4
125.09618	0.9
127.75017	0.8
129.07005	1.0
131.08589	1.9
133.10143	2.2
134.44992	0.8
135.11807	0.8
145.10109	1.1
147.11705	1.2
155.01053	0.9
155.44960	0.8
157.10211	1.0
161.13222	1.4
169.10190	1.0
211.13322	1.5
267.15936	0.8
274.21564	0.8
305.93280	0.8
375.16620	1.1
385.16574	1.3
387.16425	1.3
389.17731	3.7
390.18359	1.5
391.19333	1.1
401.17892	1.3
402.18536	3.4
403.19318	4.7
404.20343	3.9
405.20825	2.5
415.19342	2.5
416.15765	1.4
416.20605	1.3
417.16479	1.9
417.21030	2.7
418.21964	2.0
419.22501	7.0
420.22711	2.2
429.20969	0.9
430.17380	1.3
431.18747	4.0
431.23209	1.7
432.19321	2.2
433.20142	1.8
445.20792	5.4
446.21051	4.4
447.21713	10.1
459.18146	3.2
460.19073	2.5
461.19879	2.9
473.18857	1.1
474.20355	9.8
475.21341	16.9
476.21945	2.1
487.21179	4.8
488.22287	1.2
501.22858	3.1
505.26379	1.0
505.38562	1.3
506.39429	2.3
519.20300	1.8
523.39935	3.1
533.25690	9.2
561.24982	35.7
562.25574	2.5
589.23999	1.4
593.27820	1.4
621.27063	100.0
622.27448	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2715
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05500	0.9
67.05483	0.4
69.07065	0.5
71.31539	0.5
71.31905	0.6
81.07040	0.6
83.04976	0.7
83.69215	0.5
91.05489	0.6
105.03356	0.7
106.03741	0.5
107.08592	1.3
108.40414	0.5
145.10143	0.5
168.00139	0.4
173.05328	0.5
236.91219	0.6
283.01920	0.9
306.08588	0.5
308.10321	0.5
314.92630	0.5
350.11230	0.7
355.15482	0.6
356.15698	0.6
375.16080	0.8
381.13275	1.6
382.13626	2.9
387.17230	0.6
388.16702	2.2
389.17633	3.5
390.18399	1.6
391.19299	0.9
401.17764	0.7
402.18436	1.8
403.19366	4.8
404.20090	2.9
405.20694	3.1
415.19519	1.0
416.15680	0.9
416.20612	1.0
417.16119	3.9
417.21121	2.6
418.17523	1.4
418.22055	1.3
419.18008	0.7
419.22449	7.8
420.23123	1.3
421.12250	1.1
429.17041	1.1
430.17798	1.5
431.18039	7.8
432.18860	3.4
433.20102	3.2
443.18735	0.6
445.20273	5.6
446.20990	7.0
447.21741	11.2
448.22375	1.4
459.16660	0.9
459.22977	2.6
461.19751	1.4
462.20712	0.6
463.21375	0.6
473.18900	0.9
473.24570	0.6
474.20316	5.4
475.21259	7.9
476.21149	0.8
487.21274	3.5
488.22220	0.8
491.20407	1.2
501.22836	2.0
505.26523	1.0
518.23248	0.8
529.22400	0.9
533.25562	15.4
534.25604	2.1
546.22729	0.5
561.24951	22.2
562.25220	2.1
577.92700	0.7
589.24768	1.4
593.27698	3.9
621.27008	100.0
622.27374	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.0
55.01876	6.7
55.05244	1.0
55.05510	20.1
55.26744	0.7
57.03436	9.4
59.05002	1.1
65.03947	3.4
67.05504	35.6
68.05827	1.0
69.03415	13.0
69.07070	9.7
69.55630	0.7
71.01379	0.9
71.05001	6.3
74.09717	1.7
77.03903	1.1
78.56164	0.8
79.05493	36.8
81.03417	100.0
81.07056	36.2
82.03752	2.2
82.07389	1.0
83.04982	15.6
83.08619	20.8
85.02906	16.2
85.06549	3.0
91.05479	44.5
92.05842	1.5
93.07040	23.6
93.07619	1.2
95.04968	37.4
95.08599	15.6
96.05313	1.5
97.02887	14.0
97.06516	4.9
97.10161	8.9
99.04462	5.2
101.05984	0.9
103.05481	2.6
105.03456	1.0
105.04549	0.9
105.07022	29.4
106.07402	1.0
107.04954	14.7
107.08600	13.8
109.02882	21.5
109.06527	7.3
109.10175	5.4
111.04420	9.9
111.08083	10.1
113.06022	2.4
113.35786	0.9
115.05427	3.9
117.07005	10.6
117.07710	0.9
119.04980	2.4
119.08581	21.8
121.02913	1.8
121.06519	7.1
121.10143	10.4
123.04427	5.5
123.08079	4.6
123.11677	2.1
125.02388	3.8
125.06017	1.1
125.09647	6.4
127.03925	8.4
127.07607	1.0
128.06219	2.6
129.05553	1.4
129.06995	13.6
131.04904	4.2
131.08562	15.2
133.06503	6.7
133.10139	12.0
134.10527	1.1
135.04449	1.6
135.08086	3.2
135.11717	3.8
137.05980	2.2
137.09636	2.9
141.06992	2.9
142.07794	3.3
143.08572	5.7
144.05740	0.9
145.05336	0.9
145.06480	5.4
145.10115	7.1
147.04457	3.0
147.08023	6.0
147.11684	19.3
149.05997	3.9
149.09636	7.7
151.07535	1.5
151.11197	1.3
153.06953	1.6
153.12735	1.1
154.07843	0.9
155.08566	4.6
157.06531	3.7
157.10114	13.3
159.08099	2.4
159.11726	3.1
161.05980	4.1
161.09628	2.3
163.03867	1.2
163.07503	1.5
163.11185	5.9
165.05583	1.3
165.06989	1.3
165.12778	5.6
167.08566	1.3
169.06499	1.3
169.10175	2.6
171.04475	1.0
171.08093	2.9
171.11729	3.3
173.04492	4.3
173.06027	2.7
173.09662	2.5
175.07599	2.3
175.11182	12.0
175.35844	0.8
177.09119	0.9
177.12764	1.6
179.08578	0.9
181.10188	1.1
181.12280	2.3
183.08211	1.0
183.11630	1.4
185.06029	2.0
185.09592	1.3
185.13301	1.5
187.07588	1.5
187.11147	1.2
189.05418	4.1
189.11259	3.0
189.12846	2.2
191.06972	1.0
191.10747	3.3
193.12228	40.7
194.12689	2.5
195.11710	1.9
197.05946	1.3
197.13295	1.4
199.03912	2.3
199.07610	1.2
199.11354	1.1
201.12839	1.1
205.12210	1.7
207.11769	1.4
207.13617	1.1
209.11595	1.3
209.13412	1.8
211.13286	40.9
212.13643	1.6
213.05569	1.0
213.12888	1.1
217.08531	1.0
217.12350	1.0
223.11295	1.0
223.13298	1.7
225.05545	1.6
227.12509	4.1
229.43704	1.4
231.13913	1.6
233.15401	1.2
235.11311	0.9
235.13416	3.4
237.12804	1.2
239.07141	1.0
241.12360	1.5
243.13789	1.0
247.13249	1.1
249.14972	2.4
251.14418	0.9
255.13768	4.0
257.15494	3.4
258.15820	2.2
259.13379	2.4
267.15915	12.3
271.13416	1.7
273.14880	9.0
277.14407	2.1
283.13074	1.7
285.17163	8.1
291.15948	2.3
301.14328	12.4
319.15430	7.3
337.16913	4.7
349.21399	1.4
355.17517	3.5
357.24451	1.3
367.22729	2.9
375.18265	3.3
376.18454	1.1
385.23660	5.7
393.19012	4.3
403.25000	1.8
411.19864	3.5
447.25211	1.2
459.27548	9.4
460.27292	1.0
477.28552	8.0
482.29932	1.2
493.26724	1.1
495.29510	2.5
539.29919	1.2
557.31525	1.3
567.29572	2.0
573.30951	2.6
584.72095	1.0
585.30505	8.5
603.31720	9.0
621.32629	45.4
622.32855	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.5
51.02369	1.3
53.03947	7.6
55.01656	0.7
55.01879	6.4
55.05511	19.2
57.03441	9.4
59.04985	1.3
65.03939	3.0
67.05503	32.9
69.03087	1.0
69.03423	13.1
69.06091	4.0
69.06496	1.5
69.06781	1.0
69.07069	7.2
71.01360	1.3
71.04987	6.8
73.02908	1.0
73.06538	0.8
77.03932	1.1
79.05492	35.6
80.05833	1.1
81.03417	100.0
81.07055	31.5
82.03758	1.6
83.01321	0.8
83.04985	14.3
83.08620	19.7
85.02905	18.9
85.06548	2.6
87.04487	0.8
91.05479	42.9
92.05812	1.3
93.07044	21.7
94.78127	0.6
95.01296	0.7
95.04965	35.2
95.08606	12.4
97.02890	13.1
97.06544	5.6
97.10162	7.1
99.04460	4.8
99.08096	1.0
103.03958	0.7
103.05447	3.2
104.00445	0.6
105.04520	1.6
105.07027	28.7
106.07351	1.1
107.04947	11.1
107.08599	13.1
109.02885	15.4
109.06496	5.4
109.10186	3.7
111.04440	8.3
111.08086	7.7
113.06008	1.6
115.05460	4.6
117.07014	8.0
119.04955	3.0
119.08576	20.5
120.08953	1.1
121.02876	1.5
121.06508	7.5
121.10142	10.3
123.04429	5.3
123.08057	3.7
123.11684	1.9
125.02332	3.2
125.05977	1.9
125.09630	4.6
127.03918	9.0
128.06226	2.9
129.05508	0.9
129.07005	15.2
131.04939	4.5
131.08569	15.2
133.06490	7.2
133.10130	11.2
135.04446	1.1
135.08066	4.0
135.11723	2.3
137.05966	1.5
137.09642	2.2
141.06972	3.3
142.07732	3.0
143.08583	4.3
145.04883	0.8
145.06480	5.1
145.10115	7.2
147.04396	3.9
147.08037	5.5
147.11691	15.1
149.05984	2.7
149.09613	6.3
151.03894	0.9
151.07628	0.8
153.07021	0.9
153.12749	1.6
155.08569	4.0
157.06483	2.4
157.10138	12.1
159.04483	0.9
159.08089	1.6
159.11694	1.5
160.05257	1.0
161.06021	2.9
161.09622	2.6
161.13289	0.8
163.11179	5.6
165.07040	1.1
165.09090	0.7
165.12724	5.1
167.08629	0.9
169.06421	1.0
169.10162	1.7
171.08049	2.9
171.11678	2.6
173.04495	2.6
173.06026	2.5
173.09624	2.5
175.03926	1.1
175.07571	1.5
175.11180	14.2
177.12746	1.0
178.07870	0.7
179.07040	0.8
179.08516	1.0
181.10112	2.0
181.12227	3.4
183.06631	1.0
183.08092	1.1
183.11690	1.1
185.06000	1.5
185.09647	2.1
185.13313	1.1
187.07614	1.9
187.11234	1.2
189.05484	3.2
189.09155	0.6
189.11250	3.2
189.12697	1.4
191.10703	2.4
193.12230	39.6
194.12628	1.7
195.08173	0.9
195.11743	1.1
197.13266	1.3
199.03894	1.3
199.07513	1.3
199.11179	1.4
205.12224	2.2
207.13799	0.8
209.11603	1.0
209.13431	1.1
211.11282	1.6
211.13275	40.3
212.13632	1.9
213.12776	1.7
217.04982	0.9
217.12286	1.5
219.11955	0.7
223.13190	1.1
225.08989	0.9
227.12646	4.7
229.12254	0.8
229.14290	1.2
231.13991	0.9
235.13326	2.0
237.12726	0.9
243.13863	0.8
249.14850	3.2
255.13867	3.0
257.15421	2.8
258.15793	1.0
259.13431	1.9
261.15039	0.8
265.14435	1.1
267.15921	15.5
268.16290	0.8
271.13290	1.5
273.14874	9.0
275.16354	0.9
277.14392	2.0
283.13263	2.0
285.14597	0.7
285.17044	6.1
289.14450	1.9
291.15982	1.8
301.14365	11.3
303.16010	1.3
309.17004	1.0
313.16849	0.9
319.15497	7.0
337.16708	4.2
340.08212	0.7
349.21802	1.2
355.17712	3.6
357.16855	1.1
367.22714	2.9
375.18082	3.4
385.23672	3.3
393.18985	4.8
403.24686	1.4
411.19952	2.8
421.26212	1.4
447.25226	1.1
449.29263	0.7
459.27271	7.5
460.28195	1.3
473.89011	0.7
477.28290	6.9
493.25940	0.8
495.29773	4.2
511.26309	1.2
529.27594	1.2
539.29694	0.9
543.29767	1.0
557.30975	1.3
567.29614	1.1
573.30872	1.8
585.30481	7.8
603.31519	9.0
604.31970	1.6
621.32623	48.1
622.32843	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.1
53.03948	7.7
53.98734	2.1
55.05517	18.5
55.92677	1.9
60.43849	1.7
67.29063	1.8
71.32554	2.9
75.28896	2.2
83.04979	27.3
90.53181	1.7
95.04987	6.8
100.11267	4.4
103.05470	1.8
105.03394	100.0
105.04528	4.4
106.03768	3.6
149.02390	3.0
163.03912	8.0
173.86168	1.7
194.07245	2.7
202.74380	1.8
206.07208	2.9
207.08092	2.9
211.07526	2.5
222.06718	3.4
235.07562	3.1
236.08339	2.3
237.09187	2.4
239.10605	1.8
240.04295	2.4
249.05351	2.1
250.06282	5.6
251.07271	3.1
253.08554	2.3
263.07117	3.8
264.07614	2.6
264.40756	1.9
265.05261	2.5
265.08578	12.0
266.05682	4.0
266.08997	2.3
267.06567	5.3
268.07343	2.4
269.04541	2.3
277.08395	2.0
278.05798	3.4
279.06506	3.5
281.08145	4.0
282.09015	2.6
291.06665	3.7
292.07190	2.9
293.08069	13.9
294.08694	2.8
295.06119	4.8
295.09738	6.2
297.07819	2.2
297.11194	2.7
301.07056	5.4
307.06116	3.7
308.06757	5.0
309.07516	4.1
311.09125	3.1
314.07520	2.1
321.07422	12.3
322.08282	2.5
323.05515	3.6
323.09158	12.4
325.07065	3.5
325.10764	5.6
326.07745	4.6
327.08655	9.6
337.07315	2.3
339.08667	5.0
340.09381	3.3
341.10239	7.9
351.08737	3.6
353.06381	4.3
353.10217	30.1
355.11877	17.2
365.10245	8.2
383.11224	41.5
418.98471	2.2
465.30334	2.2
545.48151	2.4
622.19598	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81911	3.0
53.36193	2.9
55.05505	8.6
66.05553	2.9
67.05505	5.3
71.92264	3.2
72.83790	2.9
73.10589	3.1
79.05505	4.2
81.07057	4.6
81.31181	3.2
83.04977	14.4
86.21348	3.1
93.07037	3.7
95.04942	6.0
98.22729	16.1
98.23441	7.7
105.03395	28.9
105.07031	4.3
107.08569	3.2
118.01858	3.3
136.24492	3.6
138.14873	3.6
184.07420	4.9
185.21742	3.2
210.06761	4.7
225.09138	27.4
240.07761	7.6
253.08653	21.3
254.08858	4.7
267.61133	3.4
268.07181	3.7
281.08075	38.3
311.09238	22.6
313.10785	10.6
315.08688	4.3
343.07587	6.0
343.11758	100.0
344.11920	7.5
351.12167	3.5
383.14841	17.7
400.56409	3.5
457.62531	3.7
622.18811	5.4
622.27191	11.4
623.27960	4.8
631.48749	3.1
639.52075	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	8.7
58.18713	7.5
60.91102	6.7
65.02995	6.1
69.07079	8.1
70.18055	18.6
81.07056	9.2
83.04942	14.4
86.09708	12.6
87.57755	5.7
89.09042	5.8
89.09853	5.4
89.18142	5.6
93.07036	9.9
105.03393	28.5
105.07047	9.3
125.00021	19.9
153.36836	6.6
163.18672	6.8
184.07359	88.2
210.06769	12.1
225.09123	23.1
253.08647	26.8
281.08032	36.4
283.09839	7.5
311.09103	30.5
313.10733	11.1
333.39145	6.6
343.11771	100.0
353.13742	6.4
383.14972	16.0
500.22522	6.5
582.69574	8.2
622.27118	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04527	1.1
65.86377	1.1
66.81375	1.3
69.03425	1.7
71.30206	1.4
71.30659	1.4
71.75532	1.2
79.05502	2.3
81.07055	8.8
91.05492	1.5
93.07077	1.4
105.07040	1.7
109.06520	5.0
123.04448	2.4
125.98774	1.4
129.07019	2.0
131.08577	2.1
137.05968	14.5
139.03897	1.6
143.08624	1.5
147.04498	1.3
149.06032	1.8
151.03925	2.7
155.08563	2.1
157.10321	1.4
159.04184	2.2
159.08073	2.0
161.09637	2.4
163.03993	1.6
171.08017	1.9
173.09630	2.1
175.07599	1.5
175.11269	3.6
185.09618	4.1
189.05408	1.6
189.09135	2.1
195.08260	1.4
205.08594	8.2
213.09131	1.3
214.98949	1.2
219.08258	1.5
237.32100	1.2
243.10245	1.9
251.10626	1.4
273.14984	2.6
316.77209	1.5
332.75986	1.5
357.13385	4.8
419.18661	6.2
437.19708	4.6
447.18494	1.6
449.19785	5.2
460.20618	1.6
465.19278	3.4
467.21094	3.2
477.19141	2.4
495.20142	4.7
496.20926	1.3
505.18948	1.5
507.20081	1.5
513.21313	3.9
523.19305	2.7
541.20819	14.6
542.21149	2.1
559.21875	4.7
577.22534	1.9
622.28638	100.0
623.21362	2.2
623.29462	13.6
653.72888	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04527	1.1
65.86377	1.1
66.81375	1.3
69.03425	1.7
71.30206	1.4
71.30659	1.4
71.75532	1.2
79.05502	2.3
81.07055	8.8
91.05492	1.5
93.07077	1.4
105.07040	1.7
109.06520	5.0
123.04448	2.4
125.98774	1.4
129.07019	2.0
131.08577	2.1
137.05968	14.5
139.03897	1.6
143.08624	1.5
147.04498	1.3
149.06032	1.8
151.03925	2.7
155.08563	2.1
157.10321	1.4
159.04184	2.2
159.08073	2.0
161.09637	2.4
163.03993	1.6
171.08017	1.9
173.09630	2.1
175.07599	1.5
175.11269	3.6
185.09618	4.1
189.05408	1.6
189.09135	2.1
195.08260	1.4
205.08594	8.2
213.09131	1.3
214.98949	1.2
219.08258	1.5
237.32100	1.2
243.10245	1.9
251.10626	1.4
273.14984	2.6
316.77209	1.5
332.75986	1.5
357.13385	4.8
419.18661	6.2
437.19708	4.6
447.18494	1.6
449.19785	5.2
460.20618	1.6
465.19278	3.4
467.21094	3.2
477.19141	2.4
495.20142	4.7
496.20926	1.3
505.18948	1.5
507.20081	1.5
513.21313	3.9
523.19305	2.7
541.20819	14.6
542.21149	2.1
559.21875	4.7
577.22534	1.9
622.28638	100.0
623.21362	2.2
623.29462	13.6
653.72888	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.9
51.02379	2.1
53.03947	7.5
55.01863	1.1
55.05500	1.8
58.25484	0.4
61.74394	0.5
62.72995	0.4
67.05505	2.4
69.07056	1.3
71.30383	0.7
77.03921	1.7
78.43702	0.5
79.05485	1.8
80.30210	0.4
81.03415	2.7
81.07063	2.3
83.04969	0.5
83.08614	0.5
91.05466	2.7
93.07037	2.8
95.04968	9.7
95.08607	2.1
99.33760	0.5
105.03389	100.0
105.04533	4.4
105.07000	2.6
106.03725	2.0
107.08601	1.3
108.52740	0.5
109.10149	0.7
117.07053	0.8
119.08579	1.7
131.08586	1.4
133.10126	1.4
135.11725	0.6
143.08560	0.5
145.10155	0.9
147.11656	0.6
153.05412	0.7
157.10124	0.7
159.11681	0.7
185.13217	0.5
189.06984	0.6
207.07948	0.5
219.08060	1.2
226.06322	1.1
231.08205	0.6
232.08789	0.6
233.09621	0.7
235.07574	1.1
246.06752	0.6
247.07516	1.3
248.08383	1.4
249.09126	1.0
253.18095	0.6
260.08133	0.6
261.09143	0.5
263.07022	2.3
263.10635	1.0
265.08438	0.5
275.07028	2.8
275.20047	1.0
276.07825	1.7
277.08612	1.3
279.06448	0.7
287.07004	0.7
288.07947	0.6
289.05328	0.9
289.08572	1.6
290.09265	0.8
291.06738	1.1
291.10101	1.1
292.07181	0.5
293.08069	1.1
293.11398	0.5
303.06525	1.2
304.07208	1.4
305.08060	2.4
306.05325	0.6
306.08624	1.1
317.08051	1.6
318.08829	4.0
319.06216	0.9
319.09634	2.2
321.07742	1.1
321.11246	1.9
325.07135	1.2
333.07532	7.2
334.08261	1.8
335.08978	0.5
347.09183	2.9
348.09882	9.2
349.06818	1.0
349.10608	7.2
351.08478	0.7
351.12296	2.9
364.09317	1.5
365.10248	0.6
379.11752	21.0
380.12106	1.7
418.22165	0.5
471.14343	4.7
623.41840	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38980	0.3
71.31143	0.4
107.04945	3.3
123.04440	1.2
137.06017	1.4
139.03926	0.5
163.03944	0.4
167.07079	3.1
172.51715	0.3
176.04489	0.5
185.04225	1.4
189.05228	1.8
204.07690	0.4
205.04721	9.4
206.05310	0.4
218.05476	1.7
219.06282	4.9
232.07108	1.3
233.07883	1.9
234.08624	20.0
235.06013	0.9
235.09146	1.6
245.08076	0.3
247.09483	1.8
249.07397	2.8
297.04050	0.5
303.04977	0.4
341.10226	1.0
367.10046	0.4
381.06702	0.5
381.11539	8.5
381.16199	0.6
382.12277	0.4
393.05777	0.3
393.11487	0.5
395.13138	8.9
408.01358	0.3
411.13031	1.1
443.13593	0.4
461.18396	7.1
462.18246	0.5
593.21906	1.1
623.23059	100.0
624.23370	12.2
638.56860	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.9
56.89858	0.9
57.07076	1.5
71.32517	1.3
83.04991	2.7
86.67194	1.0
93.07026	1.9
93.14764	1.1
107.08575	1.0
109.10153	0.9
117.34904	1.0
149.77654	1.2
153.05499	1.1
160.93050	1.0
165.05508	1.5
167.07037	1.3
179.08453	1.9
181.06618	1.3
197.09460	1.1
198.27321	1.1
207.08107	2.0
209.09729	1.6
210.06665	1.7
211.07625	1.6
211.11247	1.1
219.08110	1.2
221.06093	1.4
222.06787	2.8
223.07573	1.7
224.08389	3.9
226.06268	1.6
227.07120	1.5
233.05994	1.9
234.06763	1.8
235.07539	5.8
236.08495	2.5
237.05554	1.9
237.09102	3.3
238.06544	1.3
239.06970	2.6
239.10687	3.3
240.07780	1.4
241.04977	1.2
241.08476	1.4
248.08466	1.3
249.05473	2.2
249.09026	1.4
250.06218	3.6
251.07002	4.0
252.07776	11.3
253.05037	1.4
253.08620	3.3
254.05800	3.6
254.09508	2.3
255.06543	1.7
256.07281	1.5
257.04373	2.3
263.07028	2.8
264.07809	3.4
265.05026	1.8
265.08612	12.0
266.09387	3.8
267.06616	4.4
267.10208	15.3
268.07196	4.8
269.08051	2.6
270.09021	1.0
271.06067	2.2
277.08560	1.1
278.05692	1.6
279.06500	3.4
280.07272	4.9
281.08176	6.3
281.11002	1.4
282.05286	1.9
282.08801	2.3
283.06110	1.0
283.09644	3.1
284.06808	2.7
285.07559	2.6
291.06558	1.9
292.07257	2.4
293.08066	11.0
294.05606	1.3
294.08759	5.8
295.06079	3.2
295.09561	22.0
296.07028	2.0
296.10278	3.7
297.07648	4.3
297.11282	4.5
298.08301	1.4
299.09137	4.6
299.12595	1.8
300.06418	2.7
307.09561	1.8
308.06653	1.3
308.10138	1.3
309.07758	4.6
309.10806	1.8
310.08212	4.7
311.09122	3.8
312.09906	2.2
313.07022	3.9
314.07748	4.0
315.08643	7.7
323.05539	1.3
323.09216	3.6
325.07104	1.8
325.10648	20.6
326.11310	3.4
327.08646	13.3
327.12296	4.8
328.09335	5.7
329.10220	6.0
337.06918	1.7
339.12247	2.3
340.09357	1.4
341.10254	3.2
342.10980	16.3
343.11450	1.9
347.08832	2.6
351.08380	1.7
355.07828	1.6
355.11746	24.4
356.12280	3.2
357.13312	38.2
358.13724	3.4
359.11194	1.5
363.08530	2.4
367.11655	3.0
368.12662	1.3
369.13080	1.9
370.10471	1.7
375.08261	1.3
377.10080	2.5
378.10654	1.4
381.13580	4.8
390.10831	2.6
391.07394	1.7
399.14316	9.7
403.11664	1.1
406.10294	3.1
421.12561	100.0
422.12854	9.8
439.13635	2.1
503.27240	2.2
521.17841	52.1
522.18152	5.5
523.19275	13.7
524.20032	1.9
623.24701	31.1
623.39575	1.5
624.24750	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
55.01873	4.8
55.05275	1.2
55.05514	18.2
57.03431	2.2
59.20649	0.8
62.56969	1.0
65.03928	1.3
65.96957	0.8
67.05506	25.8
69.03407	2.5
69.06789	0.9
69.07071	10.1
71.04991	1.7
71.30000	1.2
71.30367	0.9
77.03918	1.0
79.05492	21.4
81.03418	12.2
81.07057	21.5
83.04968	3.2
83.08618	7.3
85.06525	1.5
91.05486	19.8
93.07040	17.3
95.05000	4.3
95.08147	1.0
95.08620	13.1
97.06541	2.5
97.10164	10.3
103.05461	1.4
105.07034	15.5
107.04941	2.7
107.08592	11.3
109.06512	1.9
109.10170	8.3
111.08073	1.4
115.05441	2.9
117.07034	9.9
119.08585	12.8
120.01846	0.8
121.06480	1.3
121.10140	5.0
123.08070	2.2
123.11677	2.1
125.09643	6.2
128.06238	3.1
129.06979	10.1
131.04988	1.2
131.08575	10.9
133.06500	1.8
133.10133	7.7
135.08040	2.9
135.11700	4.1
137.09601	1.1
139.11258	0.8
141.06021	1.1
141.06953	5.0
142.07785	2.7
143.08530	6.4
144.09418	1.0
145.06479	1.5
145.10130	10.1
147.08058	1.5
147.11696	6.9
149.09610	1.5
153.07011	2.0
153.09074	1.1
154.07733	1.9
155.08528	7.1
157.10117	9.4
159.08052	1.1
159.11697	6.3
160.05202	1.7
161.05962	2.9
161.09636	2.5
161.13275	1.8
162.37346	1.0
163.11276	1.4
165.07030	2.0
166.07730	1.0
167.08597	4.2
168.09300	1.8
169.10147	8.0
171.11685	7.1
173.05948	1.2
173.11797	2.0
173.13293	3.2
175.11072	1.6
175.14769	1.1
177.16339	1.1
179.08640	1.5
180.09343	1.4
181.10083	5.5
183.11714	7.4
184.07297	2.1
185.13249	3.3
187.14856	1.5
189.11218	5.9
189.12769	1.5
195.11725	4.2
197.13330	7.2
199.14905	2.2
203.18040	1.0
207.11699	1.4
209.10944	0.9
209.13275	3.4
211.14775	3.0
213.16397	1.9
215.14380	1.1
221.13257	2.0
223.15015	2.0
225.16403	1.9
227.12791	5.7
233.13222	1.4
235.17075	1.6
237.16362	1.9
239.17963	3.3
241.19394	1.5
249.16531	1.3
251.17883	1.2
253.19510	1.3
259.20581	2.9
271.13126	1.4
273.14612	1.6
273.18350	1.6
275.20172	2.3
291.19400	4.4
315.23318	1.1
335.25638	0.9
337.21411	1.2
347.18622	1.0
353.58224	1.0
363.16391	1.3
363.26837	1.3
375.16422	1.5
376.16644	1.5
377.17679	3.6
378.18439	1.7
379.29950	4.9
388.17181	1.6
389.17603	1.4
390.18808	1.7
391.19226	3.9
392.19720	3.7
393.20694	2.8
399.16089	1.5
400.16904	3.0
401.17786	4.5
405.16296	1.3
405.20834	3.0
407.22171	5.6
409.15894	1.2
413.17508	3.7
414.18594	3.0
415.19485	5.5
416.20197	2.2
417.20856	2.4
419.18680	4.2
420.19455	1.3
421.20108	2.7
427.19376	2.2
428.19998	2.6
429.21405	4.4
430.21286	3.7
433.16046	1.5
435.21881	2.4
441.17023	1.2
443.18207	3.1
443.23129	2.0
444.19388	4.0
445.19992	3.5
446.21054	1.5
447.18198	4.2
448.18634	1.7
449.19272	1.1
457.20642	1.5
458.20795	3.0
459.17749	1.4
461.19040	5.2
462.20517	4.2
463.21146	2.7
469.33255	1.3
471.22244	7.0
472.22369	3.1
472.46689	1.1
473.19257	2.9
474.20444	3.2
475.16458	1.0
475.21088	4.1
476.18134	1.5
483.36649	2.1
484.18784	1.1
485.19656	3.0
486.20316	3.9
489.22675	5.5
490.19141	5.1
491.20331	2.6
499.21277	17.9
500.21732	1.5
501.23056	7.3
503.20059	4.7
507.23813	2.9
511.33862	1.6
513.19202	1.9
513.36725	1.5
514.19696	2.1
516.21814	1.7
517.22357	12.0
518.22607	2.8
525.35406	2.6
527.20502	3.0
529.22437	9.4
531.38367	3.8
535.23248	3.8
536.23962	1.7
541.35394	1.8
545.21802	55.2
546.22137	6.4
549.39307	1.8
550.25824	1.6
555.19800	1.6
555.67004	1.2
563.23285	4.1
564.23322	3.6
573.21216	18.2
574.21228	1.9
591.23706	1.5
595.25342	1.6
605.23883	100.0
605.41376	7.6
606.24213	13.0
623.24902	88.2
623.42578	47.6
624.25171	12.8
624.43298	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	0.3
57.03440	0.4
57.07099	0.4
61.17540	0.3
67.05508	0.9
68.38373	0.3
69.07066	0.5
70.55708	1.1
79.05481	0.9
81.07054	1.3
91.05454	0.8
93.07040	0.8
95.08595	0.7
96.96003	0.3
105.07014	0.8
107.04990	0.5
107.08601	0.3
109.06539	0.5
109.10160	0.5
119.08575	0.5
121.10149	0.6
152.33224	0.3
152.99387	0.3
166.68361	0.3
205.51891	0.3
234.24696	0.3
289.18024	0.5
376.16992	0.7
377.17795	0.7
388.17651	0.5
389.18045	0.5
390.18405	1.2
391.19162	1.8
401.17508	0.8
403.19348	0.7
404.20996	0.3
405.20840	2.9
406.21399	0.6
407.22052	0.5
411.03918	0.3
412.17813	0.4
414.18689	0.6
415.19165	1.3
416.19766	0.6
417.21396	0.7
418.17307	0.6
419.18713	1.6
419.23251	0.6
420.18430	0.5
420.23169	1.0
421.23962	0.9
427.18979	0.5
429.21011	2.2
430.21634	1.1
431.23111	0.4
433.19424	2.7
434.20413	0.6
435.21735	0.7
443.22339	1.2
444.23050	1.2
445.24548	0.6
446.16690	0.7
447.17709	6.9
448.23096	2.9
449.23688	2.2
450.23831	0.4
452.22247	0.6
457.23975	1.0
458.25287	0.7
459.21320	3.1
460.22824	1.9
461.19440	8.6
462.20145	1.6
463.21375	1.3
471.21564	0.4
472.22754	1.2
473.24298	1.6
474.24438	0.5
475.20847	1.8
476.22043	20.0
477.22556	5.3
478.23022	0.4
479.20969	1.9
485.23499	3.4
486.23993	1.0
487.25327	2.1
489.18805	0.5
500.22183	0.5
503.24564	3.2
504.25589	0.6
515.24719	1.2
517.25909	1.0
519.23743	1.5
520.24219	0.6
521.25330	1.4
531.23956	5.3
532.24475	0.7
535.25867	0.7
536.24097	0.5
545.25464	11.0
546.25696	1.5
549.25061	2.4
550.25031	0.5
559.23468	1.3
563.26184	7.2
564.26923	1.4
573.25171	0.4
591.26111	7.6
592.26306	1.5
595.28491	0.5
605.27386	2.2
623.28583	100.0
624.28912	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2858
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
53.63282	0.9
55.01876	1.0
55.05510	2.7
63.18644	0.9
67.05505	3.3
69.07073	2.3
74.97781	1.0
79.05498	2.2
81.07066	2.4
91.05493	2.6
93.07069	2.5
94.61176	0.8
95.08615	3.2
97.06528	1.0
97.10196	1.2
105.07048	2.5
107.08624	1.8
109.10168	0.9
115.05455	1.0
117.07043	1.9
119.08613	2.4
121.10157	0.9
131.08569	1.4
133.10141	1.7
144.70419	1.1
145.06621	1.5
147.11713	1.4
157.24138	0.9
161.01805	0.8
228.11615	1.0
271.16675	1.2
275.20001	2.0
335.25751	1.2
402.18994	1.1
404.20911	1.1
413.17661	1.8
414.18155	1.4
415.19345	3.4
416.19986	1.3
419.22589	1.8
420.19330	1.3
428.19754	1.2
429.20996	8.3
430.21823	3.0
431.18436	1.3
432.18878	2.0
433.24426	1.7
443.22647	6.0
444.23178	3.9
445.24561	1.5
447.21875	3.4
449.23108	2.9
456.19345	1.1
457.19711	1.3
458.24832	2.7
459.22067	4.8
460.22604	3.4
461.19147	1.9
461.24084	1.9
462.20792	2.9
471.22449	1.1
472.22729	5.4
473.23404	4.1
474.24426	1.5
475.21332	1.7
476.22159	3.4
477.22797	6.4
485.23175	5.8
486.24069	2.4
487.25150	6.5
488.22711	0.9
489.22745	1.8
500.22729	1.0
503.24316	4.0
517.26007	3.8
518.26636	1.3
520.24176	1.7
527.25269	1.1
531.23975	7.2
532.24939	1.4
535.25964	1.4
545.25482	54.0
546.25842	7.4
563.26398	29.6
564.27216	4.8
591.26007	4.4
605.27496	19.7
606.27850	2.9
623.28619	100.0
624.29004	14.0
638.43341	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.7
67.05502	1.0
69.07078	0.6
69.90947	0.9
79.05494	1.3
81.07069	1.6
83.04980	0.4
91.05482	1.3
93.07056	1.1
95.08607	1.1
97.10132	0.3
98.22910	0.7
105.07026	0.8
107.08607	1.0
109.10143	0.3
114.68535	0.3
119.08578	0.8
121.10133	0.6
123.11832	0.3
129.06935	0.3
131.08615	0.8
133.10132	0.5
143.08556	0.5
145.10114	0.3
157.10162	0.5
175.26942	0.3
188.98604	0.3
199.48769	0.3
211.12314	0.5
237.14117	0.3
313.27365	0.4
375.15973	0.5
378.18607	0.5
389.17624	0.8
390.18335	1.0
391.19110	1.5
392.19937	1.9
393.20724	0.6
403.19302	0.9
404.15970	0.7
404.20486	0.7
405.16287	0.7
405.17859	0.6
405.21252	3.1
406.21588	3.0
407.22177	1.8
408.22348	0.4
417.16345	0.8
417.21252	0.6
418.17474	2.9
419.18073	5.1
419.23370	0.8
420.18372	0.6
420.23483	5.2
421.24063	3.2
422.24432	0.5
431.18304	0.6
432.18912	2.6
433.20035	10.6
434.20685	3.9
435.21805	1.3
446.21179	1.0
447.22095	6.3
448.22620	6.0
449.23691	3.5
450.24271	0.7
460.22556	0.8
461.18710	0.6
461.23773	1.1
462.20789	1.4
463.21030	2.8
464.21732	0.7
475.21405	1.6
476.21860	4.5
477.22870	7.2
478.23306	0.9
479.24670	0.7
489.22708	1.2
490.23380	0.8
491.24503	0.7
492.25235	0.5
493.21164	0.4
493.26636	0.5
503.24319	1.4
505.22446	0.7
506.22733	0.4
507.27679	0.5
508.24756	0.5
519.24036	1.2
520.24408	0.8
521.20856	1.5
531.24219	0.8
534.26453	1.9
535.27515	4.6
536.27362	0.6
563.26526	20.1
564.26752	3.6
565.25146	0.5
566.28925	0.4
591.25763	0.7
594.27942	1.0
595.28778	1.2
623.28601	100.0
624.28943	15.3
624.39331	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79461	0.4
55.05493	0.4
56.61786	0.3
67.05509	0.6
68.11598	0.3
68.19174	0.4
69.07099	0.8
69.07443	3.5
79.05499	0.5
81.07070	0.5
91.05463	0.5
93.07043	0.7
95.08651	0.4
98.23328	0.9
104.13837	0.3
105.07042	0.5
107.08582	0.4
110.50917	0.4
147.11684	0.5
157.10211	0.4
209.16959	0.4
292.21140	0.4
355.15546	0.7
375.16544	0.6
377.17657	0.6
387.17987	0.8
389.17767	1.0
390.18484	1.1
391.19205	1.9
392.19574	0.6
393.20868	0.4
400.17001	0.4
401.17731	0.8
402.18353	1.0
403.15173	0.3
403.19278	2.9
404.19949	1.4
405.20905	3.0
406.21381	1.3
407.22360	1.3
415.19186	1.2
416.20059	1.0
417.16522	1.1
417.21576	2.3
418.17032	0.5
418.21854	0.8
419.22601	4.2
420.23080	1.5
428.16095	0.6
429.16650	1.0
429.21588	0.6
430.18085	1.4
431.17831	3.5
431.23328	1.1
432.18958	1.7
433.20044	6.9
434.20758	1.7
435.21857	0.6
443.17694	2.1
444.18988	3.1
445.19754	5.3
446.21100	3.1
447.21899	6.0
448.22522	2.6
449.23584	0.9
457.19980	0.6
458.20987	7.9
459.21707	6.9
460.22559	5.3
461.19281	0.7
462.20096	0.5
463.21381	2.6
464.22064	0.4
465.23184	0.5
473.23700	1.7
475.21414	1.3
476.21960	1.4
477.22586	1.8
478.23096	0.5
485.23761	0.6
489.22800	0.5
491.24326	0.6
503.20837	0.5
503.24493	0.6
504.24863	1.0
505.21539	0.7
505.27228	0.5
507.27380	1.0
517.22510	1.2
518.23004	5.2
519.23749	0.9
521.21417	1.8
530.23718	0.5
531.24048	1.0
532.24976	0.8
533.25452	8.8
534.25909	1.6
535.27612	2.4
545.25537	3.3
546.26019	2.4
549.25305	0.5
563.26392	5.6
564.27032	1.1
573.24591	0.7
577.28241	1.0
590.25439	0.5
605.27533	11.8
606.28345	1.9
623.28583	100.0
624.28955	14.6
624.39398	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57277	0.4
64.11398	0.4
67.05456	0.5
75.45557	0.4
89.05968	1.0
90.15727	0.4
93.07013	0.5
95.08556	0.4
113.30980	0.4
119.08521	0.7
131.08482	0.4
133.08577	0.6
201.05368	0.5
211.12280	0.4
216.10048	0.5
223.12267	1.0
227.42108	0.4
276.38434	0.4
375.16962	0.5
376.17203	1.1
377.17566	2.1
378.18207	1.3
386.15878	0.4
387.91464	0.4
388.17795	0.9
389.18192	1.6
390.18579	1.2
391.19238	4.0
392.19809	3.6
393.20749	1.5
398.16089	0.5
399.16327	1.4
400.16824	2.0
401.17526	1.8
402.19202	0.9
403.19476	1.4
404.20517	1.8
405.16934	0.5
405.20898	4.3
406.21411	4.7
407.22302	14.7
408.22760	2.0
412.17291	0.9
413.17786	2.0
414.18381	3.4
415.19321	5.4
416.20020	1.6
417.21005	1.3
418.21939	1.0
419.22995	2.4
420.23148	2.9
421.23904	13.3
422.24466	4.5
427.19293	2.9
428.20203	3.3
429.20804	13.5
429.26657	0.7
430.21750	4.2
431.18484	1.8
432.19064	0.6
433.19760	1.6
433.24112	1.7
434.24924	0.9
435.26215	0.7
442.21503	1.7
443.22552	8.0
444.23502	5.8
445.19345	2.1
445.24612	1.1
446.20700	1.3
447.17227	1.9
449.22754	0.8
449.27701	0.7
452.22055	0.8
455.18695	1.7
456.19305	1.6
457.24924	4.7
458.25027	9.4
459.21686	9.4
460.22687	4.0
461.18686	4.6
462.20398	3.0
463.20825	2.1
464.22009	0.6
470.21606	2.1
471.21521	1.8
472.22760	9.1
473.24026	3.9
474.19745	0.8
474.24994	0.7
475.21066	8.6
476.21722	8.8
477.22513	5.0
478.23419	1.6
483.18295	1.1
484.18774	1.5
485.23508	18.3
486.20444	3.1
486.24051	4.4
487.20880	1.9
487.25256	1.5
488.22092	2.6
489.22842	5.1
490.23703	1.1
491.24670	0.5
493.25769	1.2
498.20395	1.0
499.21246	7.5
500.21997	3.7
501.23007	1.2
502.23492	1.7
503.24493	9.7
504.24521	1.9
505.22336	0.5
507.24222	1.8
508.28610	0.8
513.22888	4.8
514.23615	3.2
515.24750	2.0
516.24786	0.5
517.26422	10.1
518.26233	1.0
521.25067	1.4
529.26062	2.0
530.23169	0.7
531.23773	1.4
535.27209	6.7
536.27197	0.8
545.25433	97.5
546.25800	13.6
549.24658	0.6
558.22375	0.7
562.25488	0.6
563.26434	1.8
564.27197	2.6
573.24908	22.8
574.25055	2.4
577.28314	0.8
591.25995	1.7
605.27533	90.7
606.27802	13.5
623.28583	100.0
624.28925	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13779	0.4
67.05516	0.4
79.05500	0.6
81.07041	0.7
93.07023	0.6
95.08620	0.8
98.23399	0.7
100.78391	0.4
103.75423	0.4
105.04214	0.4
105.07052	0.6
109.10142	0.6
119.08607	0.6
131.47624	0.4
132.30432	0.5
137.05986	1.0
141.47801	0.4
145.10027	0.6
151.69009	0.4
152.95781	0.4
159.11708	0.4
201.16296	0.4
207.09558	0.5
211.12363	0.6
221.10956	0.5
279.88263	0.4
284.47766	0.5
316.10593	0.4
375.16794	0.7
376.17224	0.7
377.17639	1.8
378.18478	0.8
389.18832	0.8
390.18210	1.0
391.19131	3.3
392.19931	3.5
393.20731	1.6
399.16644	0.5
400.16830	0.9
401.17685	0.9
402.18488	0.6
403.19681	1.2
404.20285	1.5
405.20914	5.7
406.21567	5.0
407.17130	0.8
407.22330	11.5
408.22641	0.9
413.17828	1.4
414.18399	1.9
415.19196	2.9
416.20157	0.9
417.20538	1.3
418.21841	0.9
419.18372	1.4
419.22488	1.7
420.23141	2.6
421.23843	11.1
422.24411	4.0
427.19235	1.0
428.20026	2.3
429.20914	5.2
430.21606	1.9
431.18744	1.7
432.19574	1.1
433.19760	1.3
433.24149	1.4
434.24988	0.8
435.25647	0.8
441.16867	0.6
442.21793	1.0
443.22501	3.3
444.23761	2.1
445.20151	2.1
446.21045	0.7
447.18170	1.8
448.18277	0.7
448.27014	0.5
449.23022	0.8
452.22284	0.6
456.19522	0.9
457.24063	1.5
458.24918	3.6
459.22125	3.6
460.23367	2.3
461.18936	5.5
462.20181	2.6
463.21289	1.4
471.21808	0.5
472.23019	3.3
473.18777	0.4
473.23282	1.8
474.20120	0.7
475.21207	8.7
476.21780	6.2
477.22504	4.4
477.68259	0.5
478.23474	1.2
484.18817	0.8
485.23663	7.7
486.23975	2.5
487.21497	1.8
488.22043	1.5
489.22934	4.2
490.23557	0.9
493.26831	0.6
497.23303	0.5
499.21313	7.5
500.22095	2.4
502.23428	1.1
503.24564	10.5
504.25778	2.0
505.22610	1.2
507.24228	0.5
507.28311	0.7
508.28296	1.5
513.22900	1.6
514.23486	1.4
515.24536	1.0
517.27161	3.4
521.25427	1.4
529.26257	0.7
530.23468	0.7
531.23578	0.9
535.27124	6.6
536.27490	1.2
545.25452	29.2
546.25836	4.2
549.24860	0.7
562.26245	0.5
563.26617	1.4
564.27026	2.1
573.24933	7.7
574.25238	1.0
577.28296	1.6
591.26031	2.8
605.27570	19.5
606.27783	3.1
623.28613	100.0
624.28961	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62563	0.9
53.89367	1.0
56.06176	0.9
60.26871	0.9
67.05527	1.5
69.07050	1.0
71.33286	0.9
75.65686	1.1
81.07070	2.7
83.04985	1.3
91.05463	1.6
93.07063	1.4
93.08966	1.2
95.08603	1.4
105.66013	1.0
107.08614	2.2
122.95208	1.1
129.61198	1.1
131.08580	1.7
201.16443	1.3
355.15363	1.9
363.23050	1.4
387.18164	3.9
391.19244	2.2
404.20126	1.2
405.21210	2.3
407.22528	1.1
417.16870	1.4
419.18512	2.8
419.23044	1.9
421.23941	2.5
430.21548	1.2
431.17963	1.4
431.22955	1.5
433.20328	3.3
434.20987	1.4
445.20541	2.3
447.22293	2.4
448.22595	3.1
449.23505	5.0
459.21814	3.8
460.22745	1.9
463.21375	1.9
475.20953	1.6
476.22086	6.0
477.22964	5.7
478.23328	1.4
489.22855	2.5
533.25519	2.9
535.26978	4.5
545.25208	1.6
563.18427	1.9
563.26599	20.4
564.27289	2.6
570.72302	1.2
605.27655	1.2
606.28436	2.6
623.28601	100.0
624.28900	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.01871	1.1
55.05503	2.2
56.16537	0.4
56.71747	0.4
57.07077	1.0
67.05501	2.4
69.07067	1.6
79.05500	2.1
81.03428	1.6
81.07060	3.0
83.04978	0.6
85.06506	0.4
85.07870	0.4
91.05473	3.2
93.07055	2.9
95.04951	0.7
95.08604	2.2
97.06551	1.2
97.10157	1.1
98.22720	2.3
98.23439	0.9
105.07027	3.4
107.04963	0.6
107.08605	1.2
109.10166	0.9
117.07011	1.0
117.20965	0.4
119.08593	1.8
125.09622	0.8
129.07068	1.0
131.08595	1.7
133.10168	1.8
135.11705	0.9
143.08577	1.3
145.10150	1.6
147.11746	0.7
149.09671	0.5
157.10146	0.5
159.11726	1.0
169.10190	0.8
171.11714	0.8
173.13396	0.6
179.14305	0.6
183.11807	0.9
189.11407	0.4
195.11914	0.5
197.09692	0.6
210.06764	0.7
225.09100	3.2
225.16440	0.5
227.12810	0.5
235.07520	0.6
252.07668	0.6
253.08652	3.5
257.19034	0.8
260.52014	0.4
271.13229	0.5
275.20105	2.0
281.08099	5.2
282.08545	0.5
283.09756	0.5
311.09079	2.7
313.10779	1.3
315.08694	1.0
325.14291	0.5
343.11780	10.1
344.12265	0.9
351.12433	1.1
353.14029	0.7
379.29816	0.5
383.14905	2.7
389.17654	1.0
390.18704	0.9
391.19211	1.0
402.18430	0.9
403.19485	2.0
404.20071	0.8
405.20801	1.4
415.19174	0.6
416.19986	1.2
417.16913	1.7
417.21857	2.0
418.21976	0.5
419.22531	4.3
420.22980	0.6
421.20316	0.5
429.16815	0.8
430.17792	1.4
430.22595	0.6
431.18704	3.3
431.23044	1.6
432.19540	1.9
433.20288	2.6
435.22418	0.4
439.11789	1.0
443.18506	3.3
444.19241	1.2
445.20047	8.1
446.20901	5.2
447.21957	5.4
448.22498	0.7
449.23300	1.5
450.23972	0.6
457.20245	1.0
458.21103	1.1
459.21768	3.0
460.22549	1.1
461.19598	1.3
462.20551	1.5
463.21262	1.9
464.21436	0.6
469.33588	0.4
473.23386	1.3
475.21112	2.0
476.22034	6.1
477.22794	5.7
478.23529	1.5
489.22797	2.1
490.23685	1.3
503.24503	0.6
505.26819	0.9
513.36890	0.7
521.21954	1.2
523.17145	3.5
533.25500	14.4
534.25702	1.9
535.23438	1.0
545.25427	1.0
548.23944	0.6
561.25043	0.7
563.26520	14.3
564.26886	2.8
592.26965	0.6
593.27515	3.6
605.27771	0.8
605.41962	0.8
623.28638	100.0
623.42767	3.8
624.28992	16.6
638.81323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.0
53.03942	4.7
55.01860	6.2
55.05514	24.1
57.03424	7.6
61.02925	23.7
65.03938	4.0
67.05505	52.1
68.05831	1.6
69.03412	7.3
69.07068	17.2
69.22797	9.7
71.04988	5.2
73.02901	7.1
79.05061	2.8
79.05494	39.6
80.05847	1.8
81.03422	11.4
81.07053	45.4
83.04967	7.0
83.08620	12.5
85.02436	1.7
85.02907	21.9
85.06532	4.2
91.03968	13.6
91.05479	57.3
93.07044	34.9
95.04973	12.3
95.08605	25.7
97.02877	16.1
97.06512	5.9
97.10148	5.0
99.04450	2.5
99.08079	2.0
103.05466	3.2
105.03403	4.8
105.04453	2.0
105.07023	37.8
106.07350	2.1
107.04968	10.1
107.08589	21.3
108.78908	1.5
109.02911	2.0
109.06504	8.1
109.10158	15.6
111.04410	2.7
111.08061	5.4
115.05444	6.1
116.84483	1.6
117.07024	31.6
119.04941	2.9
119.08571	21.3
121.06516	6.3
121.10151	13.3
123.04437	2.0
123.08069	6.3
125.09634	4.2
127.03918	4.5
128.06200	9.2
129.07002	37.9
131.08580	48.5
133.06487	7.1
133.10133	16.2
135.08044	7.4
135.11690	6.4
137.09607	2.0
141.06998	14.8
142.07747	3.0
143.08562	29.5
145.06499	11.0
145.10112	20.4
147.08031	7.3
147.11693	7.4
148.41884	1.7
149.09596	6.3
149.13298	3.5
151.11070	2.5
153.07037	3.6
154.07730	2.9
155.08557	28.3
156.09315	2.9
157.10104	16.6
159.08029	5.6
159.11705	11.1
160.11179	2.2
161.09604	5.6
163.11122	2.8
165.07008	4.3
165.09099	1.8
167.07278	2.2
167.08542	12.1
168.09352	2.6
169.10112	15.5
170.10910	2.0
171.08063	4.1
171.11667	9.5
173.09570	3.6
173.13168	4.3
175.11212	3.9
175.14799	2.6
177.12737	3.7
178.07776	2.3
179.08571	7.3
181.10144	11.3
183.08054	2.7
183.11644	12.0
185.09665	2.3
185.13229	6.9
187.07356	2.3
187.11147	3.4
187.14815	4.6
189.09178	2.3
189.12776	2.6
191.08516	1.9
193.10181	4.1
193.12242	2.4
195.11737	12.7
197.13271	7.9
199.11247	2.8
199.14833	4.0
201.12791	1.9
203.14267	2.9
207.11620	4.9
208.89465	1.9
209.13255	7.7
211.11278	2.3
211.13153	3.6
211.14883	4.5
213.12755	3.8
213.16481	2.3
214.18034	4.7
215.14340	4.8
221.13330	9.2
223.14882	5.9
225.12778	4.2
225.16423	3.2
229.14377	2.5
231.13838	3.1
233.13200	2.4
235.14778	4.5
237.12695	1.8
239.14319	5.3
241.16104	3.4
243.13791	2.4
253.15979	4.3
257.15454	4.4
258.08838	1.8
259.16782	3.4
267.17575	2.3
271.16904	5.1
285.18585	2.3
323.23584	9.8
333.22086	14.7
337.37152	2.3
341.24661	6.3
342.24658	1.9
351.23145	43.9
352.23535	2.7
369.24274	33.3
370.24521	3.2
387.25293	20.3
425.26755	8.1
443.27896	100.0
444.28156	8.2
461.28955	69.8
462.29083	7.6
464.77789	1.8
528.22540	3.4
538.70203	1.8
568.07074	2.3
623.34717	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65494	0.9
53.03937	3.8
55.01880	1.4
55.05516	69.8
56.05833	1.3
67.05503	3.7
69.03432	2.0
69.07069	0.9
71.04996	0.9
77.46520	0.8
79.05499	3.8
81.03416	5.3
81.07053	3.6
81.28461	0.9
82.03772	0.9
83.04986	100.0
83.08618	1.5
84.05310	1.6
85.02923	1.5
91.05474	5.9
93.07044	5.7
95.04964	3.4
95.08625	3.1
97.02867	1.0
105.03421	4.7
105.07034	2.4
107.08599	2.1
111.04441	0.8
115.05511	1.3
117.07031	1.4
119.08597	1.0
121.06513	5.1
124.23096	0.8
125.09576	1.0
129.06999	1.0
129.26378	0.9
133.02927	1.5
143.04938	1.8
143.08600	0.9
149.09595	1.1
155.08566	1.8
165.07011	2.0
169.10146	1.2
171.04422	2.3
173.05890	1.6
175.03886	1.5
183.08014	2.6
189.01892	1.2
191.03445	1.0
193.06516	1.9
193.12274	2.1
197.06084	1.3
197.09767	1.0
199.03917	1.6
201.05498	1.8
207.08073	1.8
207.47450	0.8
210.06717	1.1
211.07513	5.2
211.13350	1.2
217.01375	4.5
221.05942	1.8
222.06578	1.1
223.07416	2.1
225.09196	1.2
226.06290	1.0
227.06999	1.1
228.04196	1.3
229.04990	4.1
235.07542	2.7
237.09056	1.6
239.03279	1.5
239.06972	6.1
240.04120	1.0
240.07718	1.0
241.04802	1.2
241.08589	1.9
250.06287	1.4
251.07076	3.6
253.04987	1.9
253.08650	1.6
255.02844	1.3
256.03644	1.3
257.04468	14.7
257.08105	5.1
258.05060	1.1
263.07144	2.1
265.05167	1.5
265.08633	4.0
266.05774	0.9
266.09372	1.4
267.02942	1.6
267.06534	5.4
267.10269	1.3
268.03650	8.4
269.04355	1.3
269.08051	7.8
273.03888	1.2
279.06586	5.5
280.07214	2.0
281.04544	1.5
281.08115	3.2
282.05203	1.7
283.02423	1.6
283.09595	4.8
285.03949	23.3
285.07532	10.2
286.04495	2.2
293.08124	8.6
294.08801	1.4
295.06296	1.7
295.09634	4.4
296.03125	1.0
297.07578	24.9
307.06021	2.7
309.07538	1.4
311.09042	7.8
313.03339	4.7
313.07071	7.5
314.07828	1.0
315.08621	23.2
316.08963	1.7
321.07541	6.7
323.09052	2.1
325.07031	8.8
327.04846	2.3
339.08615	9.2
340.08829	1.3
349.06958	5.2
357.09711	2.5
367.08133	13.9
368.08582	1.4
385.09216	2.7
404.45026	0.9
413.08649	12.4
414.08740	1.2
439.13379	1.2
462.29501	1.6
624.34198	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71834	1.3
55.05514	1.9
66.25497	1.4
69.09222	11.1
83.05002	2.4
86.08379	1.3
105.03371	3.5
128.77951	1.3
165.06999	3.2
167.08525	1.6
181.06569	1.7
182.07321	1.7
193.06514	2.4
194.07120	2.3
195.08025	2.3
197.09630	1.8
199.07402	1.5
207.07982	1.9
208.05154	2.7
209.06024	2.6
210.06783	3.3
211.07481	3.0
213.08969	2.0
220.05312	2.0
221.06020	4.2
222.06712	2.8
223.07564	6.1
224.08249	2.4
225.05623	1.4
225.09149	9.3
226.06236	2.6
227.06952	2.8
233.06210	1.5
234.06703	3.6
235.07578	4.2
236.04758	2.8
237.05447	5.8
237.09111	1.8
238.06235	10.5
239.07019	5.4
240.04169	5.6
241.04939	2.1
241.08708	1.7
249.05449	1.7
250.06360	3.4
251.07024	26.9
252.07883	8.1
253.05028	3.8
253.08601	25.3
254.05699	4.8
254.09087	2.2
255.06525	5.3
256.07263	2.8
263.07037	3.6
265.05023	3.2
265.08447	2.5
266.05737	8.3
266.08774	1.7
267.06534	11.9
267.10068	3.6
268.03586	2.6
268.07260	7.1
269.08057	3.2
270.08905	3.5
271.09311	2.3
277.05112	2.1
279.06491	22.4
280.07227	11.3
281.08072	52.2
282.08722	6.0
283.06027	7.9
283.09598	7.6
285.07529	4.6
285.10901	1.9
286.04788	6.6
293.08066	3.3
295.06033	4.2
295.09653	9.1
296.06833	3.1
297.07568	9.7
297.10880	2.7
298.08319	7.9
299.05649	2.6
300.06168	2.0
301.07144	12.0
309.07584	15.0
310.08133	4.4
311.09103	36.3
312.09744	7.1
313.07016	7.9
313.10681	31.7
314.07773	3.2
315.08585	5.2
323.09076	5.0
324.09778	2.9
325.10577	6.5
326.07831	2.3
327.08487	5.3
327.12286	3.8
328.09415	29.9
329.09586	1.6
341.10187	100.0
342.10568	6.2
343.07626	2.9
343.11761	49.0
344.12036	4.1
345.09692	4.7
353.10306	6.6
355.11795	18.0
356.11774	1.6
367.11716	17.5
368.11969	1.7
385.12762	26.2
386.13254	2.4
398.03076	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	2.3
53.03944	9.4
55.05513	21.3
67.05493	3.8
69.10494	13.0
69.10905	4.9
81.43493	2.3
83.04983	22.5
95.04962	11.2
105.03391	100.0
105.04533	5.2
107.82279	2.3
110.03070	2.1
119.04961	2.7
137.02081	2.2
182.07323	4.5
199.07474	2.5
203.10744	4.0
210.06819	4.6
225.09026	13.3
226.16748	2.4
238.06366	2.6
242.09328	3.4
253.08638	14.7
255.06575	3.9
267.06525	3.4
267.09998	3.3
270.08969	4.0
281.01697	2.8
281.08057	21.1
281.75681	2.4
282.08786	3.0
298.08347	5.7
313.10687	19.8
314.11252	3.2
317.10178	4.1
321.10919	2.6
330.10660	2.5
337.21738	2.4
345.13269	52.6
346.13635	5.0
353.13998	4.4
385.16425	16.0
406.48727	2.4
427.17551	6.6
503.20581	4.9
504.27905	12.1
519.26813	2.7
527.80884	2.3
624.37213	6.4
625.25763	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00353	2.7
55.01855	4.9
55.05506	14.1
57.07076	10.7
67.05518	21.7
69.07057	8.9
69.63260	6.1
69.63670	10.8
71.05003	2.9
72.83248	2.7
79.05486	15.4
81.03392	3.4
81.07059	21.1
83.04993	5.8
83.08639	3.2
85.06528	4.7
91.05483	16.7
93.07059	17.5
94.07373	3.3
95.04968	6.0
95.08595	11.4
97.06531	5.4
105.03394	7.9
105.07034	25.0
106.07439	3.0
107.04912	3.6
107.08591	12.0
109.10153	3.0
110.10484	2.9
117.06996	8.0
119.08569	13.1
121.06508	3.7
121.10153	6.3
125.09635	3.0
128.06133	3.0
129.07011	3.9
131.08557	8.6
133.10126	12.3
143.08595	7.9
145.10132	9.6
147.11691	7.2
155.08525	4.0
157.10107	5.2
159.11719	5.4
160.11957	3.2
163.11194	4.7
165.97321	2.8
167.07018	3.2
169.10121	6.7
171.11711	5.8
174.11221	2.7
182.07339	3.3
183.11722	5.3
191.06764	2.6
197.13216	3.1
207.11510	3.2
207.42604	2.7
209.13199	4.4
210.06764	6.0
225.09138	17.1
238.06224	10.4
253.08572	19.6
254.08888	4.1
264.43939	3.1
275.20062	10.2
276.20255	4.4
280.07193	4.3
281.08112	41.1
282.08585	3.7
283.09720	3.4
298.08344	4.4
301.06985	3.2
311.09149	22.0
312.09671	4.7
313.10712	7.3
315.08591	5.1
343.11746	100.0
344.12088	12.3
351.12460	6.4
383.14926	13.1
497.06076	3.1
563.32068	3.1
564.26953	3.9
606.42053	4.7
624.28760	12.9
624.43372	25.8
625.26093	10.2
625.34558	5.9
625.43073	3.9
642.01398	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
57.03435	1.3
57.34922	0.9
57.55998	0.9
58.07404	1.0
58.67778	1.1
65.03929	1.7
67.05504	3.3
69.03433	8.6
71.04974	1.1
71.29303	1.3
72.81656	1.1
73.02917	1.2
79.05507	3.1
81.03418	1.6
81.07062	2.8
83.04995	4.5
85.02903	14.7
87.04447	1.5
91.05458	6.4
93.03418	1.1
93.07020	6.3
95.04976	7.1
95.08617	3.2
97.02235	0.9
97.02892	4.6
97.06544	3.5
99.04467	1.6
99.25631	0.9
105.07019	7.8
107.04958	1.4
107.08598	4.2
109.02875	2.4
109.06501	6.2
111.04444	4.9
113.05973	1.2
115.05443	1.5
117.07005	1.1
119.08590	18.7
121.02862	3.2
121.06533	5.8
121.10134	4.3
123.04453	1.8
123.08078	3.5
123.38142	0.9
127.03942	4.8
129.06999	2.5
130.02689	1.1
130.04701	1.0
131.08563	11.1
133.06525	1.9
133.10124	3.9
135.08028	10.6
137.09593	2.6
139.03883	1.9
142.07811	2.6
143.08546	4.7
144.09265	1.1
145.04997	2.7
145.06531	2.2
145.10104	5.1
147.04364	2.2
147.08095	6.5
147.11679	2.6
149.09610	13.3
156.09346	2.7
157.10118	4.5
158.07219	2.3
159.08110	6.7
159.09306	1.3
159.11691	7.5
161.05956	1.6
161.09599	9.1
163.06061	1.7
163.07430	1.2
165.09106	3.7
166.07826	1.6
167.10706	3.0
168.09386	1.3
171.08064	1.8
171.11670	3.7
172.08815	3.4
173.09583	2.9
173.13210	4.8
174.06764	1.4
175.07536	11.5
175.11171	5.2
177.05461	1.2
177.12881	1.2
181.06512	1.2
181.10120	1.6
183.11784	2.0
186.10326	1.4
187.07474	1.2
187.11174	6.8
189.09116	5.1
189.12776	1.3
193.08669	4.7
193.10193	1.4
196.08771	1.6
199.11203	16.8
201.12759	6.0
203.10663	5.2
205.12225	2.0
207.10127	5.3
209.42630	1.1
211.11142	5.9
217.12251	16.1
219.13841	2.4
229.12282	7.2
235.13377	2.9
237.09242	1.2
247.13293	53.3
248.13690	3.4
263.07059	1.0
263.10583	1.9
265.14340	100.0
266.14673	6.7
281.11581	1.3
283.15369	5.0
287.05551	1.5
291.10214	1.2
309.11295	2.8
337.10577	2.5
351.12213	1.4
355.11780	1.8
373.12637	3.2
379.11533	1.7
397.12769	2.7
415.14124	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01863	1.0
55.05508	1.2
57.03437	1.3
59.76911	0.6
61.28259	0.6
67.05493	2.5
68.26801	0.6
69.03437	5.5
70.43064	1.8
71.05003	1.1
77.81285	0.6
79.05489	1.9
81.03423	1.0
81.07060	1.8
83.04974	1.4
85.02914	6.6
87.80616	0.6
91.05489	3.5
93.07040	4.9
95.04971	6.1
95.08611	2.3
97.02886	2.8
97.06528	1.5
98.57357	0.6
105.07028	7.8
107.04953	0.7
107.08611	1.9
109.02888	1.4
109.06528	4.8
109.10159	1.2
111.04432	3.9
111.08081	1.6
113.06008	1.9
115.05495	1.0
117.07038	1.6
119.08582	8.7
120.08816	0.6
121.02867	1.7
121.06507	5.5
121.10129	1.7
123.04465	0.9
123.08088	4.7
125.05960	0.9
125.93902	0.7
127.03967	1.4
128.06204	0.9
129.07001	1.1
131.08568	4.5
133.06471	0.9
133.10117	2.6
135.08057	9.1
137.09628	2.6
139.03877	1.3
139.07581	0.7
142.07811	1.0
143.08569	2.5
145.04961	1.6
145.06520	1.6
145.10147	5.1
147.08064	5.8
147.11702	1.9
149.09648	1.4
155.08620	0.8
156.09346	1.8
157.10153	3.6
158.07245	1.9
158.10921	0.6
159.08063	5.4
159.11694	5.7
160.08788	0.9
161.05861	0.8
161.09659	5.0
161.13220	0.7
163.06036	1.5
165.09149	3.3
169.10095	1.0
171.07986	1.3
171.11693	1.7
172.08856	1.6
173.09637	2.2
173.13315	3.4
175.07562	10.0
175.11157	5.5
177.09019	0.6
183.11694	2.0
185.09549	1.2
186.10437	0.8
187.11179	6.2
189.09140	2.4
189.12776	2.1
191.07011	0.7
193.08617	1.6
196.08794	1.2
199.11174	4.5
201.12775	4.5
203.10696	5.8
211.11195	3.5
217.12234	4.6
219.13751	1.7
229.12292	5.2
235.13397	1.2
247.13321	22.6
247.25914	0.8
248.13841	0.8
265.14365	100.0
266.14630	5.7
409.18604	2.8
456.45364	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.8
51.22044	0.7
53.03931	1.9
55.01868	2.5
55.05516	10.5
57.03435	1.2
57.07074	0.8
58.71592	0.9
59.05007	0.9
65.03934	1.9
65.10420	0.8
67.05505	6.3
69.03419	4.6
69.07067	3.0
70.30711	2.2
70.32390	0.8
71.04996	2.3
79.05491	9.6
81.03419	1.9
81.07058	18.6
83.01300	0.9
83.04491	2.2
83.04984	37.8
85.02920	0.9
85.06541	1.3
91.05484	31.5
93.07042	12.2
95.04963	8.2
95.08612	5.9
97.02905	14.3
97.06529	2.3
99.04475	5.6
99.08080	1.3
101.61846	0.7
103.05452	2.5
105.07033	14.1
107.04948	1.7
107.08594	21.9
108.08971	1.1
109.02887	1.0
109.06518	12.1
109.10175	3.0
111.04451	9.7
111.08060	4.1
115.05463	12.4
116.06195	0.8
117.07029	25.3
119.04892	1.0
119.08583	22.5
120.08945	1.2
121.06512	5.0
121.10151	3.5
122.54239	0.8
123.08076	11.0
125.05970	1.4
125.09641	1.3
127.03900	1.0
127.07536	1.1
128.06255	2.7
129.07008	8.1
130.07834	1.0
131.08582	11.0
133.06496	3.2
133.10130	6.4
135.08054	18.0
135.11726	1.1
137.05965	17.5
137.09619	2.2
139.07582	2.0
141.07005	3.8
142.07774	5.3
143.08574	11.9
144.09235	1.6
145.06483	61.0
145.10112	11.3
146.06848	2.4
146.10619	0.8
147.08054	32.1
147.11670	3.5
148.08418	1.3
149.05937	1.8
149.09602	2.8
151.07578	1.8
153.09155	1.1
154.07742	1.9
155.08537	8.7
156.09300	3.2
157.06454	1.4
157.10117	14.9
158.07289	1.1
158.10533	1.1
159.08037	5.4
159.11670	7.3
161.09631	6.1
161.13336	1.3
162.10081	1.2
163.07550	30.9
163.11182	1.0
165.06895	2.0
165.09117	2.1
167.07237	1.0
167.08553	3.6
168.09387	1.5
169.10126	10.5
170.10831	1.2
171.08070	4.4
171.11681	9.6
172.08734	1.5
173.05966	10.8
173.09625	6.2
173.13292	3.6
175.07588	1.8
175.11226	5.3
177.09125	3.0
178.07755	1.0
179.08589	3.6
180.09358	2.1
181.08592	1.4
181.10080	6.3
182.10774	1.5
183.08086	2.1
183.11679	6.5
185.09592	6.2
185.13284	4.0
186.10402	1.3
187.07553	1.5
187.11188	6.6
189.09138	3.7
189.12691	1.9
190.74495	0.8
191.07063	8.5
191.10739	1.9
192.07578	0.9
192.09328	2.1
193.10144	4.3
194.10852	1.3
195.08131	1.0
195.11711	5.5
196.08733	1.2
196.12425	1.4
197.09612	4.2
197.13261	5.6
198.10309	0.8
198.13853	0.9
199.07581	1.5
199.11192	7.5
199.12891	1.1
199.14842	3.8
200.11935	1.1
201.09091	2.0
201.12732	2.8
201.16357	1.6
203.08875	1.4
203.10635	6.6
205.10191	2.0
206.10925	2.6
207.10083	2.2
207.11716	4.8
208.12390	1.8
209.08090	8.9
209.09698	1.2
209.13292	5.6
211.11273	4.1
211.14790	4.8
212.11906	1.0
213.09186	1.7
213.12720	3.9
213.16373	1.0
215.10658	1.9
215.14270	1.2
217.10321	1.1
217.12198	1.6
219.11678	3.1
220.12402	1.2
221.13312	5.9
222.10400	1.1
223.07399	0.9
223.11209	2.4
223.14836	3.5
224.11952	1.1
225.09119	1.1
225.12706	4.3
227.10886	1.7
227.14211	4.9
228.15048	3.1
229.10133	1.2
229.12247	2.0
229.15865	2.3
231.11824	1.0
231.13809	1.1
232.12419	1.4
233.09686	1.5
233.13263	2.0
235.09492	1.4
235.14891	2.4
236.11925	1.0
237.12761	3.3
237.16382	1.8
239.10704	1.6
239.14307	5.7
241.15811	6.7
243.13828	1.3
245.11484	1.2
247.11201	1.5
247.14850	1.5
248.15472	1.4
249.12779	1.8
249.16470	1.4
251.14209	2.0
253.16026	1.6
257.15408	4.4
259.17032	2.1
260.11874	1.1
261.12759	1.2
263.14288	2.2
265.15994	1.5
267.13858	4.7
267.16937	0.7
273.12601	1.0
275.14340	1.1
276.15045	1.0
283.17166	1.4
285.14792	8.4
291.17392	2.2
293.15457	1.7
293.18832	1.2
301.14572	2.8
303.15710	8.0
305.18890	1.4
311.16223	1.3
319.17139	0.9
321.18646	1.1
323.20001	3.0
329.13641	0.9
333.18735	1.3
339.19525	1.4
340.20108	1.0
341.21097	10.1
342.21463	1.2
351.19638	1.6
363.16806	0.9
367.18976	2.4
369.20612	1.9
385.20126	10.8
386.20416	1.2
403.21106	8.2
407.22260	1.8
413.19510	1.2
419.22070	1.3
431.21838	4.0
437.23218	1.8
439.25336	1.5
445.22018	2.5
447.21805	1.3
449.23303	14.9
450.23434	2.0
455.24329	1.1
463.23242	31.7
464.23764	3.9
465.22705	1.9
467.24243	20.2
468.24576	2.4
483.23999	2.0
485.24857	1.3
491.22916	2.5
493.22159	3.3
509.25223	8.9
510.25278	1.4
511.23358	7.5
512.23175	1.0
527.26379	46.5
528.26672	5.3
529.24335	13.8
530.24878	1.1
553.24329	5.4
571.25183	2.8
589.26440	100.0
590.26764	13.9
591.04553	0.9
624.30042	3.6
625.31555	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.8
55.05514	2.7
57.33353	1.2
67.05504	4.1
69.03433	3.5
69.07052	2.2
70.33883	2.3
70.34239	2.5
71.04996	1.5
79.05495	7.2
79.51353	1.1
81.07050	7.1
83.04971	3.0
85.02909	5.5
85.06550	1.7
91.05466	8.3
93.07036	9.3
93.07572	1.5
95.04980	3.8
95.08618	5.6
97.02879	6.8
97.06521	2.3
99.04488	1.2
103.05468	1.6
105.07032	10.5
107.04976	5.3
107.08606	10.3
109.06514	24.6
109.10146	2.4
111.08087	2.2
113.17499	1.2
115.03913	1.3
115.05452	2.7
117.06994	6.5
119.04936	1.4
119.08578	13.3
121.06509	4.1
121.10149	5.0
122.34528	1.2
123.08084	6.4
125.06007	3.2
128.06224	4.0
129.07016	6.0
131.04932	1.3
131.08582	11.0
133.06490	2.8
133.10127	7.1
135.08057	5.0
135.11717	1.4
137.05966	3.3
137.09637	2.0
138.12242	1.2
139.07579	1.6
141.06998	4.7
142.07771	2.8
143.08566	14.5
145.06509	3.8
145.10124	10.4
147.08054	4.5
147.11720	2.1
149.06029	1.3
149.09645	3.2
153.05429	1.5
153.06979	1.7
154.07841	1.5
155.08546	10.3
156.09352	2.2
157.06465	2.2
157.10135	11.2
159.08060	6.3
159.11707	6.1
161.09631	5.8
163.07533	13.5
165.06989	2.7
165.68044	1.2
166.07770	2.2
167.08574	6.6
168.09291	1.8
169.10115	9.8
171.08012	5.6
171.11707	6.7
173.09630	4.8
173.13248	2.3
175.07513	1.8
175.11221	4.0
177.09119	1.4
178.07823	1.6
178.09880	1.3
179.08566	5.0
180.09326	1.9
181.10107	8.2
182.10893	1.8
183.08107	3.1
183.11688	7.0
185.09563	7.3
185.13266	1.9
187.11215	5.8
189.09119	2.6
191.08562	1.5
192.09348	3.2
193.10138	8.0
194.10921	1.4
195.08142	1.8
195.11696	9.3
196.08855	1.6
197.09648	4.7
197.13309	4.2
199.11194	4.1
199.14838	1.6
200.20122	1.9
201.12764	2.1
203.08716	1.7
203.10612	2.9
205.10124	4.9
206.10843	3.0
207.11725	9.1
208.12434	2.0
209.08023	1.6
209.09735	2.8
209.13269	6.4
211.11177	4.6
211.14824	2.3
213.12685	1.5
215.08823	1.7
217.10170	2.8
217.12073	1.5
218.10933	2.1
219.08163	1.2
219.11656	5.1
220.08856	1.8
220.12476	3.8
221.09607	2.5
221.13191	7.2
222.10239	1.3
223.09471	2.7
223.14886	5.7
224.11946	1.9
225.04333	1.3
225.12770	4.3
225.16411	1.7
229.10051	1.8
230.10986	3.2
231.11700	4.3
232.12500	2.8
233.09602	2.6
233.13246	5.5
234.10376	2.1
234.14069	2.0
235.11215	5.2
235.14859	10.5
236.15646	1.8
237.12753	3.4
237.16412	2.4
239.14302	3.0
244.12494	1.8
245.13266	7.5
246.10547	1.5
246.14023	2.6
247.11223	1.9
247.14891	6.8
248.12082	1.7
249.11183	4.4
249.16475	3.4
250.13399	1.4
251.14328	3.5
253.15968	2.5
257.13174	1.5
258.14108	2.2
259.14923	3.2
260.11948	1.7
260.15601	1.6
261.12766	2.9
263.14307	10.9
263.17966	2.5
264.15112	2.4
265.15930	6.0
265.19424	2.7
275.14288	4.6
275.17746	1.9
276.15042	1.6
277.15948	3.8
281.15338	3.4
281.18930	1.4
291.17517	3.5
293.15851	1.8
293.19034	9.0
295.16815	2.1
301.14465	1.5
303.17197	2.1
304.93442	1.3
311.19931	2.1
323.19974	1.6
329.13995	1.7
339.15945	2.2
345.18161	1.3
347.20108	1.5
381.20691	1.5
407.22638	6.2
415.20996	1.6
417.20572	2.9
419.22229	2.8
423.21878	1.8
425.23407	6.3
426.23743	1.9
433.20169	2.1
435.21759	31.1
436.22510	5.8
437.23151	6.5
447.21814	3.8
449.23282	6.8
453.22754	85.8
454.23029	7.9
455.24365	1.9
465.22830	10.8
467.24210	4.9
471.23651	3.4
475.21136	4.6
483.23782	27.2
484.24136	1.8
493.22150	14.0
494.22165	2.1
495.23486	5.0
497.25339	2.0
501.24692	2.5
511.23260	21.0
512.23688	3.4
513.24823	100.0
514.25061	9.5
515.26648	2.6
525.24713	2.8
527.26221	3.1
529.24310	22.3
531.25818	3.7
543.25806	17.6
544.26129	1.8
553.24030	2.8
571.25220	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.3
57.07068	4.9
67.05504	12.9
69.07076	5.2
79.05503	6.1
81.07056	16.8
91.05488	6.9
93.07057	8.7
95.08613	44.1
101.19894	1.4
103.85866	1.4
105.07032	43.2
107.08591	9.2
109.08537	1.7
109.10166	12.2
119.08581	27.9
121.10110	7.6
123.08031	1.5
123.11732	6.1
133.10126	21.0
135.11708	3.6
137.05984	1.8
145.10176	3.2
147.11688	28.9
148.11975	2.5
159.11754	2.9
161.04097	1.7
161.13283	11.5
165.82378	1.5
167.06995	1.7
168.99280	1.4
175.14859	4.2
199.07700	3.4
201.16434	2.0
202.06966	3.7
203.17955	100.0
204.18297	7.8
214.06895	2.6
215.07617	11.3
221.19014	3.6
227.07068	8.8
246.09554	3.1
255.06493	2.7
257.08026	1.9
278.12103	3.6
285.07544	3.9
286.08307	4.6
287.09216	4.8
312.32690	3.2
317.10101	2.0
325.14413	4.1
387.18015	56.3
388.18396	5.5
389.19281	1.7
398.79947	1.6
416.19965	1.5
421.23428	1.7
429.20688	2.8
449.72766	1.8
459.24686	2.1
476.21799	2.3
487.24435	1.7
504.25034	1.6
546.25739	13.8
547.25873	2.2
574.25049	2.7
606.28003	17.2
607.28259	2.1
624.28827	20.0
624.38422	2.5
624.62549	2.5
625.28961	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34306	1.1
53.03947	1.7
54.20351	0.9
54.28387	1.0
55.05508	4.4
57.07071	3.6
58.14688	1.1
65.31490	0.9
67.05508	9.1
69.07061	7.5
71.08624	1.1
79.05497	4.3
81.07055	17.3
83.08611	2.5
83.54353	1.0
91.05466	6.1
93.07044	8.3
93.33097	1.1
95.08607	50.4
97.10184	2.1
105.07027	48.0
107.08609	9.4
109.10165	15.1
115.99689	1.2
119.08591	22.9
119.09417	1.2
121.10120	8.9
123.11733	7.1
131.08531	2.0
133.10126	18.7
134.10484	1.4
135.11697	2.1
145.10100	1.9
147.11684	35.7
148.12083	1.2
157.06538	1.2
159.11639	2.4
160.12479	2.2
161.13269	12.8
163.14801	1.7
165.05515	1.2
171.00449	1.0
173.13205	1.1
175.14822	3.8
183.04311	1.0
184.05164	1.4
199.07573	3.9
203.17949	100.0
204.18340	6.5
214.06821	1.9
215.07722	5.7
221.19054	1.8
227.07030	12.6
241.08641	2.3
242.05641	1.2
244.07243	1.3
250.09776	1.1
255.06548	3.0
257.07986	3.1
259.09619	2.1
269.08157	1.8
271.05899	1.3
272.06836	1.3
285.07654	3.6
286.08350	5.3
287.09052	4.9
312.32602	1.3
317.10193	2.3
325.14215	5.5
327.97305	1.1
357.17062	2.5
373.81870	1.1
387.18030	49.2
388.18277	5.9
408.22879	1.7
422.24167	1.5
486.23703	1.3
504.24423	1.7
546.25610	7.1
548.64203	1.2
574.25684	1.4
606.28125	6.8
624.28558	7.9
625.29834	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1759
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
50.76915	0.2
53.03928	0.2
57.03435	2.2
57.34441	0.2
61.02929	1.7
65.03928	0.3
68.47053	0.2
68.99792	0.3
69.03422	0.5
69.42670	0.9
69.43085	0.4
70.58180	0.2
71.04991	11.5
71.94293	0.2
73.02888	0.6
75.04464	0.6
81.03412	0.2
83.04973	0.4
85.02902	14.4
86.03255	0.3
87.04454	0.5
91.03933	0.8
92.02616	0.6
93.03397	0.9
97.02892	1.0
98.77032	0.2
109.02823	0.2
111.00740	0.2
111.04420	0.5
121.02879	0.9
126.03101	0.4
127.03887	0.6
128.28474	0.2
129.05470	3.9
137.02335	0.3
139.03876	0.6
143.77229	0.2
145.04924	0.4
147.06548	1.0
151.03893	0.8
153.01808	5.5
163.05983	0.2
165.01826	0.6
177.05437	0.3
183.02899	0.2
187.03873	0.2
190.06314	0.2
201.05495	0.7
203.03357	0.3
217.04958	0.5
218.05714	0.4
219.02846	0.2
219.13683	0.2
224.17145	0.2
228.04161	1.1
229.04961	2.6
230.05338	0.3
231.02827	0.3
231.37801	0.2
245.04514	1.0
246.05264	1.6
256.03644	0.2
257.04398	2.2
258.04959	0.2
260.03192	0.4
261.07590	0.4
271.05875	0.2
273.03891	1.6
274.04684	3.8
284.03275	0.4
285.03915	4.0
285.06628	0.1
286.04391	0.4
288.06845	0.2
302.04190	11.7
303.04514	0.7
317.06528	100.0
318.06882	5.8
329.06482	0.3
359.07532	0.5
383.07529	0.3
479.11923	0.7
608.52777	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
57.03442	2.3
57.19559	0.3
58.87056	0.3
61.02920	1.2
69.03422	0.7
69.67150	1.2
71.04992	14.9
73.02925	0.5
81.03434	0.5
83.04985	0.6
85.02902	18.0
87.04483	0.6
92.02645	0.9
95.05006	0.5
97.02882	1.1
98.22649	0.3
105.07070	0.4
111.04465	0.5
121.02873	0.7
127.03891	0.8
129.05467	3.8
137.02318	0.6
139.03952	0.9
145.05005	0.6
147.06512	1.2
151.03894	1.0
153.01814	5.9
158.41707	0.3
164.81798	0.3
165.01877	0.6
201.05409	0.5
203.03450	0.5
210.07921	0.3
228.04254	0.9
229.04974	2.3
245.04449	0.8
246.05273	1.6
257.04413	2.0
273.04016	1.4
274.04730	3.8
285.03940	3.1
302.04205	10.6
303.04648	0.6
317.06540	100.0
318.06885	5.4
329.06561	0.7
359.07498	1.1
398.55316	0.4
459.34586	0.4
479.11462	0.8
532.47394	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1759
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
52.87007	0.2
53.03943	0.3
55.01867	0.3
55.05507	0.4
57.03203	0.2
57.03443	2.1
57.35667	0.2
61.02929	1.5
65.03935	0.3
69.03432	0.7
69.97137	0.2
70.37597	0.2
71.04993	10.3
71.30022	0.4
73.02922	1.0
75.04469	0.7
78.23328	0.2
81.03420	0.4
83.04976	0.8
85.02903	15.6
86.03214	0.2
87.04453	0.3
91.03958	1.0
92.02624	0.4
93.03419	0.9
97.02886	0.9
97.06536	0.3
99.04460	0.3
108.01311	0.2
111.04444	0.6
121.02895	0.9
123.04333	0.3
126.03184	0.3
127.03870	0.5
129.05473	3.3
137.02394	0.2
137.05960	0.2
139.03860	0.9
145.04939	0.4
147.04451	0.4
147.06548	1.2
151.03893	0.7
153.01822	5.1
163.03918	0.3
165.01840	0.7
177.05359	0.2
201.05533	0.4
217.04996	0.8
218.05797	0.4
219.57542	0.2
228.04198	1.0
229.04930	2.6
230.05453	0.3
231.02788	0.4
245.04462	1.0
246.03076	0.2
246.05132	1.3
256.03683	0.3
257.04465	1.9
261.07605	0.3
266.53128	0.2
271.05948	0.5
273.03894	1.7
274.04712	3.7
284.03180	0.4
285.03958	3.3
286.04434	0.3
287.05402	0.3
301.03436	0.7
302.04199	10.3
303.04623	0.6
317.06540	100.0
318.06927	4.5
329.06500	0.6
359.07599	0.7
361.56146	0.2
371.41138	0.2
383.07608	0.5
395.07614	0.2
461.10403	0.3
479.11789	1.5
625.23676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.9
53.03942	4.4
53.56623	0.6
55.05512	25.7
58.17474	0.5
62.53011	0.5
67.05486	1.0
68.77199	0.5
69.86977	0.6
71.31862	0.8
72.67651	0.6
76.43539	0.6
79.05486	0.9
81.07072	1.2
83.04983	21.9
86.09684	0.9
93.07036	1.4
95.04967	3.2
102.79198	0.6
105.03389	32.7
105.04533	1.8
105.07045	0.8
107.08598	1.3
116.53377	0.5
119.08565	0.7
121.10180	1.0
122.10216	0.5
143.03412	0.7
149.58138	0.5
184.07378	1.7
202.07787	0.7
203.08546	0.7
203.18059	0.6
209.09512	0.7
218.68892	0.6
219.08018	1.0
220.08839	1.8
224.08383	0.7
231.08075	1.3
232.08777	1.4
233.09593	1.0
235.07541	1.3
236.08057	0.9
247.07553	2.1
248.08348	4.0
249.09032	2.8
250.09848	1.0
259.07404	1.6
260.08279	1.3
261.05368	0.7
261.09201	3.0
262.06134	1.1
262.09854	1.2
263.07132	2.9
263.10529	3.9
264.07843	1.5
265.08521	2.0
268.07324	0.7
272.44601	0.6
275.07028	3.6
275.10324	0.9
276.07938	3.3
277.08594	5.0
278.06015	0.7
278.09378	2.4
279.10110	4.9
280.07532	0.6
280.11008	0.7
288.07791	1.6
289.08383	2.9
290.06110	0.9
290.09293	3.1
291.06500	4.8
291.10135	6.0
292.07260	2.3
292.10852	1.9
293.08063	3.6
293.11435	1.4
295.09729	1.0
302.09406	0.8
304.07297	2.8
305.08102	5.1
306.08771	5.6
307.09482	4.8
308.10416	2.0
308.14322	0.6
309.07532	0.7
314.40143	0.6
316.07455	0.8
317.07928	1.0
318.08817	3.9
319.05927	2.1
319.09586	6.6
320.06732	3.3
320.10284	2.0
321.07510	3.4
321.11221	6.5
322.11676	1.3
323.09381	1.3
323.12729	1.1
331.09491	1.2
333.07486	0.9
334.08313	9.2
335.09125	27.8
336.09433	3.4
337.11041	0.7
338.11426	1.2
349.10678	11.5
350.11453	25.6
351.08539	2.0
351.12207	5.8
352.08997	0.7
353.13867	2.4
357.07117	1.9
366.11111	2.1
372.09695	2.3
373.06674	2.0
381.13312	100.0
382.13651	8.4
388.09183	2.3
394.95743	0.7
403.11502	47.7
404.11935	4.2
420.11786	0.8
421.12439	2.7
444.14175	1.4
481.18460	0.7
503.16739	34.5
504.17172	3.1
525.15308	7.2
526.15442	1.4
625.33344	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01612	1.1
51.02378	1.3
53.03959	8.7
55.05505	3.2
63.73199	1.0
69.40937	2.3
69.41337	4.6
77.03953	1.4
83.04987	3.2
91.01498	1.0
95.04984	8.0
95.08588	1.2
98.22968	4.5
99.57990	1.2
105.03394	100.0
105.04546	3.7
106.03738	3.5
127.58320	1.1
130.28883	1.1
133.10246	1.1
135.07932	1.0
138.66093	1.0
138.95712	1.0
147.99956	1.1
163.76898	1.1
179.07127	1.7
192.55025	1.2
197.02550	1.4
198.04616	1.1
223.07590	2.7
238.06204	2.5
249.05461	1.3
250.06375	1.7
263.07364	1.6
265.04880	2.1
265.08557	1.2
266.05692	9.7
267.06519	2.0
279.06564	2.2
279.10324	1.7
281.07993	10.4
291.06683	1.9
291.10089	1.3
294.05222	5.6
295.06085	1.5
295.09302	1.1
307.09955	1.7
309.07553	15.7
310.08347	9.8
311.05481	3.3
311.09021	1.5
313.07111	2.4
321.11301	4.0
341.10251	18.7
349.10678	2.3
351.12131	1.5
353.13861	9.2
369.13382	1.9
381.13300	13.0
503.17084	1.4
625.20087	1.5
625.44501	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04604	0.9
55.01869	1.5
55.05503	3.6
56.04257	1.1
56.63132	0.9
63.37785	0.9
67.05505	10.8
69.07054	3.1
71.27463	0.9
71.29978	1.5
79.05491	9.3
81.07059	11.8
83.08617	1.7
85.06541	2.1
85.60454	1.0
91.05486	9.3
93.07047	8.3
95.04976	4.1
95.08594	5.4
105.07011	6.1
107.04965	2.0
107.08599	4.4
109.06511	3.3
109.10164	3.9
113.05989	1.2
117.07011	2.6
119.08601	5.8
121.06528	1.3
121.10148	3.6
123.08086	1.3
123.11758	1.2
129.07005	2.3
131.08586	4.3
133.10114	3.5
135.08086	2.9
135.11710	2.5
143.08588	2.4
145.10136	3.9
147.08060	1.2
147.11696	2.6
157.10115	2.3
158.34111	1.0
159.11682	2.6
159.90993	1.0
169.10118	1.2
171.11682	1.1
173.13333	1.4
179.14368	1.7
183.11713	1.3
207.09505	1.0
210.89671	1.0
263.10614	2.0
265.08362	1.3
273.18491	2.4
280.10864	1.9
291.19547	4.3
309.11154	1.6
323.13403	1.4
324.14041	1.9
340.18350	1.2
341.13895	2.0
347.22458	1.3
355.15347	11.7
356.16025	3.8
377.17584	2.0
378.18527	1.6
387.18176	3.2
388.18085	1.9
389.17609	2.5
390.18503	1.4
391.19080	6.6
392.19943	4.8
393.20850	1.4
402.19284	1.4
403.18982	1.3
404.20248	3.6
405.20740	19.3
406.21402	7.3
407.22308	10.0
408.22787	1.8
417.20880	1.8
418.21640	1.9
419.22354	7.6
420.22885	7.2
421.23959	11.9
422.17444	2.1
422.24216	2.1
433.24759	5.1
434.24857	5.1
435.18549	3.5
436.19122	3.6
437.19403	1.5
445.20300	1.8
447.21545	1.5
449.19614	4.8
449.26099	1.7
450.20615	3.8
451.21283	32.1
452.21948	13.1
460.22934	1.6
461.23181	1.6
463.21085	3.6
464.21808	3.5
465.16217	1.4
465.22830	27.1
466.23441	7.5
473.19760	1.9
475.25067	1.9
477.21964	1.5
478.23264	3.0
479.24472	5.0
487.21536	1.9
488.22000	1.6
489.21857	1.3
491.21033	3.2
492.20938	2.4
493.19516	1.7
493.26114	21.3
494.26416	4.1
501.22784	2.3
503.24344	11.5
504.24683	3.2
505.22565	1.9
508.21286	1.6
509.21899	6.6
510.22049	1.3
519.23657	1.7
521.25702	10.2
522.25903	3.4
523.23450	15.4
524.23706	2.2
537.24994	11.8
538.25769	29.2
539.25812	3.7
547.23315	4.5
565.24420	12.9
566.24890	5.7
581.27783	9.7
607.25336	7.4
625.26550	100.0
625.43982	7.0
626.26971	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
55.01852	0.5
55.05509	1.7
57.03447	0.3
67.05505	2.7
68.14321	0.3
69.07074	0.8
69.22443	2.2
79.05491	2.1
81.03418	0.4
81.07052	2.7
83.04991	0.8
83.08656	0.3
87.03301	0.3
91.05466	2.3
93.07037	2.7
93.57321	0.3
95.04970	0.9
95.08616	1.7
97.06555	0.4
97.10146	0.4
98.22553	0.3
98.23100	1.0
105.03402	0.6
105.07011	1.6
107.04961	0.5
107.08608	1.8
109.06540	1.0
109.10187	0.9
117.07015	0.8
119.08611	0.9
121.10165	1.0
123.08169	0.3
129.07008	0.7
131.08583	1.0
131.74776	0.3
133.10150	0.8
135.08069	0.9
135.11719	0.5
137.09703	0.3
143.08557	0.5
145.10175	1.0
147.11736	0.5
153.12932	0.3
157.10196	0.5
159.11674	0.6
161.09645	0.3
161.13306	0.6
169.10127	0.3
179.14317	0.6
185.13310	0.4
199.23672	0.3
246.23888	0.3
273.18542	0.9
291.19571	1.1
335.09222	0.3
335.25980	0.5
350.11569	0.3
363.16177	0.4
376.17062	0.4
377.17648	1.2
378.18304	0.4
379.19131	1.0
381.13257	0.3
389.17770	0.4
390.18475	0.6
391.19482	1.6
392.19977	1.7
393.20688	2.3
403.19537	0.5
404.20450	0.4
405.16534	3.0
405.21094	0.9
406.17599	1.7
407.22498	5.2
408.22818	1.0
417.16870	0.5
418.21918	0.6
419.18015	3.5
419.23364	0.7
420.19116	2.4
421.20078	2.7
423.21689	0.4
431.18433	0.5
432.18951	0.5
433.19876	4.7
434.20917	4.6
435.21851	7.1
436.22430	0.9
437.23550	0.8
445.20270	1.0
446.20712	0.6
447.22247	2.3
448.22742	0.5
449.19400	3.5
451.25598	1.3
452.25549	0.5
460.22733	1.0
461.23465	1.3
463.20944	2.7
464.21933	1.6
465.23004	2.4
466.23538	0.4
477.22449	1.9
478.23520	5.6
479.24728	4.2
480.25085	0.7
491.24869	1.6
492.25137	0.5
493.21591	0.6
495.23978	0.4
505.26044	0.5
507.23935	0.4
510.26279	0.3
518.23663	0.3
520.24280	0.4
521.25452	9.8
522.25909	1.0
523.23041	1.5
527.37354	0.4
533.25629	0.4
536.24664	0.4
537.25397	1.0
547.26862	1.5
548.27094	0.4
550.25360	0.5
553.28113	0.4
565.28107	18.2
566.28534	2.5
581.27521	2.2
593.27753	0.5
607.28912	1.1
607.43719	0.4
610.27588	0.3
625.30145	100.0
626.30475	14.9
626.41241	0.5
653.99213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	2.8
53.03943	12.3
55.01875	48.3
55.05511	38.1
57.03436	13.4
57.07079	5.3
65.03946	4.6
67.05506	85.2
69.03434	3.8
69.07068	98.6
69.33318	15.5
71.04994	6.7
71.08661	2.3
79.05492	72.4
81.03416	10.7
81.07055	99.0
82.11536	2.1
83.04986	11.8
83.08614	21.0
85.06552	3.9
91.05481	83.2
93.07043	71.5
93.07629	4.2
93.99683	2.0
95.01332	5.9
95.04973	15.7
95.08604	73.3
97.06528	62.6
97.10181	9.8
98.22964	8.2
99.08118	3.3
103.05472	3.7
105.04568	3.3
105.07030	99.6
105.31602	2.3
106.07381	2.6
107.04958	21.7
107.08596	41.1
109.06536	8.7
109.10164	24.0
111.08064	5.0
111.75387	2.5
113.09659	3.6
115.05482	4.5
117.07030	33.4
119.08576	70.8
119.09422	3.5
120.08923	4.0
121.06503	5.3
121.10132	21.1
123.08083	10.0
123.11721	7.6
125.09648	6.3
128.06241	6.7
129.06989	24.6
131.08572	57.3
131.09494	3.6
133.06537	4.1
133.10130	54.8
135.08070	5.1
135.11697	19.2
137.09653	7.3
139.11206	3.0
141.06992	8.4
142.07838	5.0
143.08566	27.7
144.09355	2.9
145.06453	5.2
145.10117	49.5
145.11237	3.2
146.10594	2.5
147.08026	4.1
147.11668	38.3
149.09615	13.1
149.13316	8.4
151.11208	3.9
155.08505	19.7
156.09276	2.3
157.10115	31.3
159.08118	4.6
159.11676	35.6
161.09637	6.7
161.13264	29.2
163.11165	10.6
163.14853	4.7
165.12752	3.0
167.08623	6.4
168.09435	3.5
169.10112	25.7
170.10796	2.4
171.08066	3.5
171.10300	4.2
171.11658	31.7
173.09677	3.4
173.13264	24.5
175.11186	5.9
175.14882	12.6
177.12804	6.2
179.14285	11.8
181.10098	15.0
182.10925	2.9
183.06664	2.2
183.11653	19.9
185.09677	2.8
185.13254	24.5
187.11214	6.4
187.14764	10.5
189.12767	4.6
189.16324	3.2
193.10188	3.3
195.11604	13.2
197.13243	12.9
199.11278	3.9
199.14832	13.3
201.16422	6.7
207.11700	5.2
209.13248	10.8
211.14789	11.8
213.12857	4.0
213.16425	9.9
215.17976	3.2
217.19632	2.8
221.13345	6.0
223.14836	9.4
225.16447	8.0
227.17928	5.5
231.21091	3.3
235.14955	3.8
237.16479	5.4
239.18005	8.1
241.19556	26.5
245.19081	2.6
247.20775	3.8
249.16547	2.6
257.19077	12.2
259.20590	27.5
260.21259	2.8
265.19498	2.8
273.18588	9.6
275.20071	59.7
275.22964	3.3
279.15759	3.9
291.19711	9.4
293.21295	7.4
297.22168	5.4
311.23767	2.5
315.23318	6.2
321.22409	3.5
325.25299	2.4
329.21301	3.0
333.24234	25.2
339.23309	2.8
344.34396	2.3
347.22461	3.2
349.23752	33.9
350.23990	3.1
351.25314	3.2
355.26556	2.8
419.33319	6.9
421.31104	3.0
435.32785	7.9
437.34235	18.1
483.34497	2.7
493.36682	5.1
509.36322	5.4
511.38049	12.3
513.35974	12.8
515.38782	7.8
527.37439	7.3
529.39093	6.4
533.39709	15.9
537.35614	2.9
551.41064	8.4
555.37048	4.7
556.37634	5.5
565.28387	4.7
589.42145	3.0
607.43506	64.0
608.43927	8.1
625.30054	17.6
625.44629	100.0
626.29938	3.8
626.44769	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.7
55.01871	47.7
55.05512	41.2
57.03435	13.0
57.07077	5.2
61.69960	1.3
61.88072	1.3
65.03951	6.2
67.05503	82.7
68.72135	1.6
69.03445	2.8
69.07068	100.0
69.52621	1.6
70.07408	1.6
71.05003	6.8
71.08631	2.6
77.03927	2.2
79.05491	74.0
80.05869	2.1
81.03404	10.1
81.07055	86.3
83.04984	12.6
83.08624	15.1
85.06558	6.8
91.05476	90.8
92.05790	2.2
93.07040	67.6
94.07395	1.6
95.01328	7.3
95.04962	15.9
95.08604	66.4
97.06530	63.3
97.10172	7.2
99.08116	4.3
103.05484	3.4
105.04553	2.4
105.07027	93.1
106.07382	2.7
107.04950	23.3
107.08591	37.7
107.09275	2.6
107.64783	1.3
108.08951	1.6
109.06541	6.5
109.10159	21.3
109.77156	1.3
111.08099	6.1
111.11716	2.0
115.05463	3.2
115.64084	1.3
116.06258	2.5
117.07014	37.5
117.07821	2.0
119.05002	1.7
119.08579	64.2
120.08902	1.7
121.06493	8.1
121.10139	26.1
123.04462	2.9
123.08082	9.4
123.11732	5.1
125.09628	7.3
128.06226	8.6
129.07007	26.1
129.07895	2.4
130.07796	2.5
131.08571	59.1
133.06520	3.6
133.10127	53.8
134.10461	1.8
135.08086	3.9
135.11697	21.2
137.09639	4.4
137.13226	2.1
139.07578	2.4
139.11205	3.1
141.06972	12.9
142.07803	5.2
143.08548	34.8
144.09398	3.3
145.06529	5.9
145.10121	55.6
145.11230	2.9
146.10536	1.7
147.08025	3.6
147.11688	42.1
149.09631	12.9
149.13223	11.6
151.11230	3.2
154.07835	2.4
155.08551	21.0
156.09326	3.1
157.10120	32.0
159.08118	2.5
159.11679	41.5
161.09662	4.4
161.13251	28.1
163.11162	9.0
163.14870	4.5
165.07074	2.6
165.09117	2.3
165.12735	1.6
166.07877	2.1
167.08551	8.7
168.09418	2.7
169.10112	26.5
170.10896	2.3
171.08130	2.5
171.10233	3.6
171.11665	29.2
173.13261	22.6
175.11169	2.5
175.14799	12.3
177.12752	6.8
178.07793	1.6
179.08632	4.2
179.14362	6.4
181.10126	14.6
183.08109	1.9
183.11694	25.1
184.12498	1.5
185.09731	3.5
185.13239	22.6
185.14709	1.4
187.11288	4.7
187.14801	9.6
189.12801	3.2
189.16406	2.7
192.09546	2.0
193.10205	4.9
194.10916	1.9
195.11691	13.0
195.13480	1.8
197.09843	2.4
197.13258	18.5
197.14912	1.7
199.11267	2.8
199.14789	14.1
201.12857	2.2
201.16443	4.4
203.12617	1.6
203.14459	2.5
205.10333	1.8
205.12367	1.8
207.11766	6.0
208.12340	1.7
209.13229	12.0
210.14011	1.4
211.14766	11.5
213.12788	5.0
213.14726	1.5
213.16350	6.5
215.18068	4.9
217.19614	3.0
219.13800	1.6
219.17577	1.7
221.13385	7.1
223.14841	7.6
225.13004	2.1
225.16403	6.5
227.18016	3.2
229.19562	2.7
231.17526	2.4
231.21175	3.1
233.13339	2.1
235.14903	4.5
237.16464	4.5
239.18005	7.4
241.16028	2.0
241.19521	22.1
245.18990	2.6
247.20714	2.6
249.16595	2.5
251.18123	3.4
253.19467	1.6
257.19034	11.0
259.20557	29.8
265.19540	2.7
273.18683	2.8
275.20065	61.4
276.20547	3.1
277.21786	4.8
279.15967	2.8
283.20596	2.3
285.22122	1.9
291.19739	4.4
293.21268	6.1
297.22253	2.8
299.20139	2.4
299.23529	1.8
305.23248	1.6
311.23639	2.6
313.21793	2.3
313.25162	3.1
315.23163	7.0
321.22202	2.4
323.23785	2.9
329.24805	2.3
329.28308	1.9
331.22601	2.9
333.24203	27.1
335.23523	1.6
337.25211	1.6
339.23331	2.4
341.24884	3.3
349.23685	38.2
349.27722	2.0
350.24350	2.7
353.24844	3.1
367.26431	1.7
385.27670	2.1
403.30457	2.1
409.31210	2.5
417.31674	2.6
419.33160	5.1
421.31039	2.5
435.32617	9.7
437.34091	20.9
438.34634	1.9
453.33911	2.3
455.35492	4.3
475.36401	2.4
483.34787	2.7
493.36795	2.8
495.34695	2.4
501.35770	3.2
509.36447	4.1
511.37885	12.3
513.35901	12.2
515.38977	5.9
527.37128	8.7
529.38965	7.3
533.40057	14.0
534.39789	1.9
551.41113	11.2
555.36938	4.7
556.37744	5.1
565.28345	2.3
589.42169	2.1
597.45343	4.0
607.43549	58.7
608.43817	7.3
625.28918	4.5
625.44653	90.0
626.45172	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.9
53.03943	12.3
55.01875	19.0
55.05512	40.1
57.03431	12.1
57.07092	4.2
64.81778	2.6
65.03947	8.1
67.05504	100.0
68.05861	3.4
68.23124	2.3
69.03408	12.8
69.07065	61.4
71.04998	6.7
71.29662	2.4
71.30216	3.2
74.49098	2.7
77.03939	3.4
79.05492	89.7
80.05835	3.5
81.03419	6.4
81.07057	91.1
83.04972	10.6
83.08614	12.3
84.24209	2.3
85.06551	5.0
91.05479	73.7
92.97884	2.6
93.07050	79.6
95.04977	38.2
95.08605	54.7
97.02876	5.0
97.06532	18.5
97.10191	13.5
105.03393	2.7
105.07027	51.5
107.04933	19.3
107.08597	38.3
109.06519	21.5
109.10178	22.7
111.08060	5.1
115.05481	3.6
117.07024	23.9
118.15786	2.5
119.04973	4.8
119.08579	33.8
121.06533	5.5
121.10130	27.5
123.04410	2.7
123.08099	6.1
123.11715	6.0
125.05995	3.7
125.09671	8.4
128.06226	4.3
129.07014	14.3
130.84055	2.6
131.08563	31.4
133.06554	3.8
133.10133	23.7
135.08096	9.0
135.11676	18.4
137.09679	5.5
141.06973	4.3
142.07849	4.1
143.08540	23.6
145.10117	28.3
147.08089	8.8
147.11696	18.4
149.09662	6.1
149.13297	10.1
151.11229	3.4
155.08563	8.0
157.10117	21.0
159.11662	22.2
161.09668	8.1
161.13286	10.2
163.11195	5.2
163.14882	2.6
169.10147	8.4
171.10391	2.9
171.11629	12.4
173.09682	3.0
173.13292	10.6
175.11180	2.5
175.14844	3.0
179.10550	3.3
179.14423	3.0
181.10216	3.5
183.11714	7.1
185.13257	7.4
187.14850	6.2
189.11232	4.1
189.12804	4.6
195.11900	3.8
197.13292	4.8
199.14861	6.7
201.12839	3.1
201.16399	2.9
209.13322	3.9
211.14911	2.8
223.13350	8.6
241.19511	5.3
245.18999	4.0
249.14851	2.7
257.19086	3.3
259.20541	7.2
261.22302	4.2
265.48410	3.1
273.18457	20.8
275.20129	16.9
291.19534	86.4
292.19946	5.3
333.24258	7.4
335.25909	10.3
341.29300	2.5
347.22293	5.1
349.23920	7.5
355.15652	5.2
387.17816	3.1
437.34253	3.4
445.22986	3.1
473.23178	4.1
478.22693	3.2
511.38068	4.7
515.38721	3.9
527.37292	3.4
533.40027	4.1
536.02234	3.0
551.40460	3.8
607.43231	18.3
625.29950	13.8
625.44617	92.0
626.45001	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.5
53.03936	4.6
55.01870	4.4
55.05512	26.5
55.05757	1.2
57.03437	3.1
57.07029	2.0
59.04979	1.1
62.95882	0.5
65.03946	3.3
66.45007	0.7
67.05506	52.0
67.05848	1.9
68.05821	0.9
69.03429	9.7
69.07067	30.1
70.07383	0.7
71.04957	2.5
77.03909	1.5
79.05493	51.8
80.05795	0.6
81.03414	4.0
81.07058	44.6
82.07351	0.7
83.04978	5.1
83.08627	9.6
85.06506	2.1
91.05482	34.3
91.92812	0.5
92.05750	1.0
93.07044	46.4
94.07349	0.8
95.04972	11.1
95.08608	26.7
95.28932	0.7
97.02303	0.7
97.02891	11.2
97.06525	5.4
97.10171	12.7
98.22672	2.6
98.23383	2.0
103.05455	0.7
105.04459	1.6
105.07026	20.1
107.04295	0.6
107.04958	7.1
107.08599	26.4
109.02798	0.7
109.06522	4.4
109.09472	0.9
109.10158	14.5
111.08083	3.2
113.09650	0.9
115.05419	2.1
117.06206	1.1
117.07008	11.2
119.04897	0.7
119.08582	18.4
121.06522	2.9
121.09312	0.9
121.10143	16.9
123.08054	3.8
123.11657	2.3
125.05981	0.8
125.09621	6.8
127.07548	0.8
128.06140	1.1
129.07008	3.7
130.07791	1.4
131.08574	13.6
133.06447	1.9
133.10141	10.4
135.08075	3.8
135.11699	8.0
137.09572	3.3
137.13205	0.8
141.06952	0.7
142.07776	0.9
143.08571	5.3
145.06462	1.2
145.10129	9.8
147.08067	4.4
147.11678	6.1
149.09572	2.1
149.13251	5.9
151.07634	0.7
151.11169	0.9
153.09071	1.1
155.08498	1.8
157.10152	3.3
159.07948	0.8
159.11703	5.8
161.09593	2.1
161.13268	3.9
163.11087	1.0
163.14822	1.2
165.09085	2.4
167.08522	1.1
169.10182	0.9
169.12231	0.7
171.02515	0.5
171.10339	0.6
171.11684	3.1
173.11819	1.1
173.13223	2.7
175.11176	2.7
175.14764	1.8
177.12726	2.3
177.16504	0.6
179.10588	0.6
181.10078	0.8
183.11655	1.8
185.13242	2.0
187.11226	0.7
187.14771	1.7
189.11197	3.4
189.12755	1.2
189.16310	0.8
192.74771	0.6
195.11690	1.4
195.13829	1.7
197.13214	1.2
199.11290	0.7
199.14774	1.2
201.16298	0.7
205.12196	1.3
209.13394	1.0
209.78029	0.7
213.14703	0.9
213.16490	1.2
217.15947	0.7
223.13281	20.0
224.13458	0.8
225.16432	0.7
227.12799	1.9
227.17941	1.5
243.21025	1.6
245.18962	1.3
249.14841	1.2
251.85561	0.7
255.17455	1.4
256.79617	0.6
261.22101	4.3
263.19998	1.3
273.18506	14.7
275.20135	0.9
291.19540	100.0
292.19861	6.8
309.20837	0.7
317.24695	2.6
335.25858	2.9
347.22092	2.2
355.15259	2.4
356.16165	1.7
363.25552	0.8
365.23245	2.1
365.27802	0.6
387.18042	2.0
446.85245	0.6
513.36035	0.6
515.39069	0.9
533.39893	0.9
546.26318	0.7
547.26093	4.9
551.40820	1.0
555.18365	0.6
565.26880	2.2
607.28497	1.5
607.43103	2.8
625.29852	7.5
625.44598	72.5
626.29340	0.8
626.45007	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.3
55.01860	2.3
55.05511	54.3
58.89838	2.1
71.32341	3.2
71.32734	3.5
81.07061	2.9
83.04980	78.9
95.04984	3.1
105.03405	2.5
105.07017	3.3
194.07253	4.6
195.08119	3.3
206.07201	4.8
207.07916	2.7
208.68312	2.2
219.18929	2.3
222.06700	4.3
223.07649	3.2
224.08372	3.2
225.05611	3.3
229.86708	2.3
233.05974	5.6
234.06818	5.1
235.07484	8.5
236.08322	3.1
237.05411	3.4
237.09111	7.4
239.07140	2.9
239.10612	2.5
240.07809	3.8
249.05505	4.4
250.06290	10.5
251.07043	9.8
252.07788	8.7
253.08630	4.9
254.32512	2.5
261.05569	2.6
262.06085	2.7
263.07074	9.9
264.07761	4.6
265.05078	3.2
265.08652	13.9
266.05951	2.8
266.09207	5.3
267.06772	4.8
267.10184	14.6
268.07391	4.6
269.04398	8.8
269.07928	4.9
276.07599	2.7
278.05771	2.3
279.06500	8.4
280.07416	4.6
281.08051	7.0
282.05219	2.8
282.08743	3.2
284.06711	2.9
291.06522	8.3
292.07233	6.5
293.08063	32.9
294.08710	7.5
295.06030	6.8
295.09680	23.7
296.06967	3.0
296.10242	3.6
297.03983	4.4
297.07697	3.9
297.10901	4.6
299.09189	3.4
300.06335	2.9
305.08115	4.8
307.09488	6.3
309.07504	5.0
310.08322	10.4
311.09106	3.9
312.06238	6.6
313.07050	7.6
314.07928	2.6
315.08618	6.8
319.06000	4.0
320.06598	3.2
321.07941	2.6
323.09070	9.5
324.09857	4.8
325.10654	30.3
325.14246	4.4
326.07919	3.8
326.11234	5.0
327.08636	6.7
327.12323	5.8
329.10126	7.2
335.09106	7.3
336.10022	5.8
339.08621	3.3
339.12241	3.9
340.09537	2.7
341.10226	7.1
342.10965	18.6
355.11731	100.0
356.12088	11.5
357.13266	45.8
358.13620	3.6
363.08527	4.4
365.10336	6.4
367.11676	19.2
369.13406	2.9
377.10101	12.1
381.13132	3.9
395.11221	25.3
399.14371	11.1
413.12332	3.7
595.26007	3.0
627.28210	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	3.6
69.03429	100.0
71.31057	2.9
71.31452	3.5
74.98553	2.6
79.05493	6.9
81.07055	7.3
87.04449	5.5
91.05482	9.9
93.07046	9.9
95.04965	4.8
95.08635	6.8
97.06555	6.6
103.05422	3.4
105.07018	8.3
107.05001	3.7
107.08595	4.1
109.06532	6.1
111.08047	5.9
115.03924	4.6
117.07056	5.8
119.04974	3.6
119.08563	8.0
121.06543	5.3
121.10193	3.8
123.04386	3.7
123.08050	14.4
129.06976	3.6
131.08557	10.2
133.06509	7.8
133.10210	3.1
137.05984	9.7
137.09589	5.1
139.07541	92.6
143.08528	7.3
145.06480	8.9
145.10103	3.4
147.08057	9.9
149.05972	10.6
157.06448	4.9
157.10109	6.4
159.08098	10.0
161.05933	3.1
161.09639	5.0
163.07571	3.7
165.05574	3.3
165.07237	2.5
165.09073	4.8
167.06998	4.4
167.08502	5.1
169.10175	4.9
171.08052	8.4
173.06059	4.0
173.09573	4.4
175.07532	8.5
177.09088	8.5
179.08488	3.6
181.10149	4.3
183.08055	4.3
185.06033	4.0
185.09612	5.7
187.07521	3.4
187.11382	2.9
189.09259	3.6
191.07031	3.9
195.07980	7.0
195.11716	4.4
199.07426	4.4
203.08746	3.1
207.08017	4.2
207.11653	5.6
209.07982	15.6
209.13335	2.9
211.11200	3.6
213.09029	3.8
215.08702	4.0
217.10237	3.1
219.10110	4.0
221.09723	3.4
223.11174	7.8
225.09015	4.7
227.10588	4.8
231.11789	4.4
233.09596	7.2
234.10405	5.6
235.07567	3.4
235.11266	7.8
237.09161	3.1
237.12724	2.9
239.10504	5.2
241.12207	3.6
249.12756	11.7
250.09909	3.6
251.10728	11.3
259.11221	7.9
265.12241	3.9
267.13824	4.3
267.98523	2.8
269.11783	3.9
273.12753	6.9
275.14194	5.5
277.12289	14.3
291.13580	5.1
293.15414	7.8
295.09824	3.4
295.13321	7.6
297.11227	4.6
300.15237	3.2
303.13791	5.3
305.11404	3.0
307.16959	3.1
321.14990	4.6
323.12750	4.7
329.15204	3.5
339.15829	4.0
343.16977	9.9
361.17950	10.7
363.15955	4.5
371.16516	6.5
379.19144	5.2
386.95157	2.9
389.17261	15.8
401.15836	3.9
407.18564	28.7
417.17197	3.6
425.19333	7.9
435.03607	2.8
435.18066	16.0
449.19293	6.4
453.19022	36.0
454.19214	3.7
467.20679	9.3
471.20041	53.7
472.20398	6.0
477.18921	8.3
485.21631	6.1
489.21149	9.6
495.19904	18.6
513.21112	39.5
531.22198	73.3
532.22211	8.4
549.22809	5.0
555.21985	12.1
573.23297	44.0
574.23340	3.9
591.24335	96.3
592.24579	11.0
626.22461	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.6
55.01845	0.7
69.03423	3.6
69.07056	0.8
69.48276	0.5
81.03412	2.0
85.02899	7.9
97.02890	2.7
105.07018	0.7
109.02846	1.1
127.03925	1.9
137.05931	0.8
148.96951	0.5
159.08029	1.1
167.07008	1.9
187.07654	0.7
197.09460	0.6
206.85265	0.7
210.06772	1.7
211.07480	3.8
215.07042	1.2
219.10182	1.1
220.08882	0.7
224.08289	0.6
225.09154	3.4
227.07101	1.2
228.07745	0.7
229.04871	0.7
235.11276	1.4
237.09151	1.5
238.06390	1.4
239.07111	4.0
240.07813	0.9
241.04976	1.1
241.08739	0.7
242.05615	0.7
243.06578	1.2
248.08289	1.6
249.09125	1.5
250.09991	0.8
251.07124	1.0
251.10625	1.4
252.07803	1.2
253.04761	0.9
253.08588	4.6
254.09354	1.3
255.06573	1.6
255.10204	0.9
256.07352	3.5
257.08078	1.7
263.10590	2.9
264.11374	1.8
265.08649	4.7
265.11661	0.9
266.05844	0.9
266.09360	0.8
267.06604	5.2
267.09494	0.9
267.13708	0.8
268.07242	1.3
269.07938	0.8
269.11636	0.7
270.08926	2.3
271.06058	2.1
271.09601	2.3
272.06744	1.5
273.07468	1.3
277.08600	1.7
279.10138	2.2
280.07907	0.8
280.10776	3.3
281.08093	5.5
281.11658	3.5
282.08829	2.0
283.05963	1.9
284.06927	3.7
284.09915	0.7
285.07590	3.3
285.11270	2.2
287.05600	0.9
287.09216	1.4
288.06235	1.3
289.06995	1.2
291.10095	3.0
292.10849	2.0
293.08118	3.0
293.11472	1.0
294.08887	1.1
294.12344	1.3
295.09875	1.3
295.13248	10.5
296.10571	0.8
296.13824	2.0
297.07703	1.3
297.11255	3.3
297.14502	0.8
298.08383	3.7
299.09152	11.3
300.09735	1.5
301.07138	1.8
301.10571	0.7
302.07816	1.9
303.08600	3.7
304.09363	7.3
307.09668	1.9
308.10526	3.7
309.07782	1.2
309.11185	6.1
309.14578	1.0
310.08270	1.2
311.09244	1.5
312.13544	2.1
313.10699	12.9
313.14154	1.3
314.11285	1.0
315.08783	0.9
316.09424	2.8
317.10132	5.0
318.10989	5.4
319.11761	0.7
321.10992	0.8
322.12003	0.7
323.12735	14.8
324.09985	1.0
324.13403	4.3
325.10718	4.9
325.14127	1.2
327.08652	1.4
327.12381	0.9
327.15784	3.1
329.10175	1.8
330.10925	1.2
331.11731	8.2
332.12329	1.9
337.14188	1.0
338.15170	0.8
339.12317	1.5
340.13040	2.9
341.13721	3.6
342.10822	1.7
343.11591	1.0
344.12436	0.9
345.09631	1.0
345.13391	7.0
355.15408	41.8
356.16046	10.7
357.13257	3.6
358.14331	1.0
359.11011	1.4
359.14984	1.3
372.15652	9.2
382.14120	0.9
387.18011	100.0
388.18372	7.8
397.16431	2.8
398.17157	2.6
429.19089	68.3
430.19363	6.3
511.96005	0.7
549.23267	17.9
550.23474	1.9
575.51312	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75749	0.4
53.03956	1.0
55.01861	0.8
55.05513	17.8
57.03431	1.0
67.05504	4.3
69.07074	2.5
71.04985	0.4
71.30408	0.6
79.05495	3.4
81.07059	5.8
83.04980	15.6
83.08615	1.4
85.06556	0.4
91.05472	3.8
93.07037	4.1
94.07364	0.6
95.04930	1.2
95.08597	3.4
96.08987	0.6
97.06501	0.8
97.10162	0.7
105.03391	2.4
105.07032	4.0
106.07323	0.5
107.04938	0.7
107.08589	2.4
109.06501	0.8
109.10145	1.3
117.07018	1.8
119.08588	3.3
121.10148	1.6
125.09618	0.7
129.06987	1.5
131.08577	3.2
133.10124	1.8
135.11696	1.0
141.06940	0.5
142.07771	0.5
143.08519	1.8
145.10165	2.5
146.10634	0.4
147.11665	1.6
149.09604	0.5
155.08575	1.4
157.10129	1.5
159.11662	1.4
160.11948	0.6
161.09595	0.5
161.13219	1.0
163.11229	0.7
169.10133	1.7
171.11700	1.0
173.13300	1.0
175.14839	0.5
182.10541	0.5
183.11714	1.2
184.12140	0.5
185.13229	1.2
195.11697	0.8
197.13194	1.2
207.11801	0.5
211.14839	0.8
219.08099	0.7
220.08823	0.7
231.07860	0.6
232.08809	0.7
233.09578	0.7
234.10252	0.4
235.07524	0.9
237.09077	0.5
247.07481	1.5
248.08301	2.5
248.14804	0.4
249.09085	1.4
250.09612	0.6
254.29489	0.5
259.07437	0.6
260.08337	1.6
261.09061	1.2
262.09845	0.7
263.07001	1.5
263.10648	3.6
264.07703	0.7
264.11179	0.7
265.08582	1.6
275.07068	2.1
275.19940	1.0
275.97263	0.4
276.07755	2.4
277.08575	3.5
278.09198	1.8
279.07251	0.4
279.10043	2.7
280.07370	0.5
280.10416	0.5
288.07794	0.9
289.08624	2.2
290.09268	1.7
291.06516	2.3
291.10153	4.1
292.07248	1.1
292.10767	1.1
293.07968	1.5
294.08768	0.5
304.07297	1.9
305.08017	3.6
306.08792	3.0
307.09537	3.1
308.06857	0.7
308.10373	1.3
316.07297	1.1
317.07965	1.6
318.05515	0.6
318.08652	2.2
319.06003	1.4
319.09644	3.8
320.06641	2.3
320.10260	1.7
321.07462	1.8
321.11185	2.3
322.08054	0.7
323.09195	1.0
323.12631	0.7
331.09650	1.0
333.07526	1.3
334.08356	6.9
335.09088	20.2
336.06042	0.9
336.09518	3.1
337.10129	0.6
349.10699	10.2
350.11444	20.9
351.08527	1.3
351.12109	5.5
352.12701	0.6
366.10950	1.6
381.13306	100.0
382.13657	13.1
382.18500	0.5
403.11456	1.5
404.11957	2.2
481.18524	0.6
498.36362	0.4
504.17166	0.6
513.35443	0.6
516.39008	0.6
526.15826	0.8
541.35419	0.7
607.43317	0.8
608.44305	2.3
625.44733	2.6
626.44855	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.3
55.01863	2.8
55.05510	72.8
56.05842	3.9
56.84568	0.7
57.03429	1.7
57.07068	2.0
59.05009	0.7
67.05505	13.7
68.05821	1.6
69.03407	1.3
69.07062	8.0
69.20971	5.6
69.57509	0.7
69.57991	0.8
71.04981	0.9
73.06543	1.2
75.04482	1.2
79.05491	10.6
80.05804	1.2
81.07055	14.8
82.07409	1.6
83.04977	100.0
83.08635	4.2
84.05302	4.9
85.06525	1.1
91.05476	9.8
92.05802	1.7
93.07050	9.8
94.07391	1.0
95.04945	3.6
95.08600	8.3
97.06503	2.5
97.10181	1.9
99.08076	0.9
105.03390	16.3
105.04486	1.2
105.07021	9.6
106.03699	3.8
106.07362	1.2
107.04946	1.2
107.08582	7.4
108.08944	1.4
109.06568	1.1
109.10149	4.9
110.03472	0.8
111.08064	1.6
115.05445	1.1
117.07010	4.4
118.07349	0.8
119.08585	7.7
121.06543	1.1
121.10108	4.2
122.10526	0.8
123.08059	0.9
123.11694	1.2
125.09647	1.2
128.06221	1.2
129.07037	4.9
131.08545	5.5
132.08856	1.0
133.10109	5.6
135.11668	3.3
141.06964	1.8
142.07773	1.0
143.08578	6.8
145.10109	7.6
147.08075	1.0
147.11688	4.3
149.09639	1.4
149.13229	1.3
155.06992	0.9
155.08533	2.9
157.10100	3.8
159.11674	4.3
161.09711	1.1
161.13231	1.4
163.11240	1.0
167.07056	1.0
169.10118	4.7
170.10568	1.2
171.11714	3.7
172.12013	1.8
173.13239	3.0
177.12740	1.0
179.07011	2.1
179.08463	1.3
181.10048	1.7
182.10628	1.0
183.11710	3.8
185.13203	1.9
187.11169	1.0
193.10033	0.9
195.11678	2.6
197.13184	3.5
199.14792	2.3
207.11682	1.5
209.13278	1.9
211.14851	1.9
213.05464	1.9
213.12733	0.8
221.09650	1.5
223.07556	1.0
223.14848	0.9
225.05554	0.9
225.09215	1.2
227.07005	4.2
227.12762	1.2
235.07526	1.3
235.11176	1.7
241.08739	1.2
241.19568	1.0
242.20000	1.1
247.07555	1.0
248.08260	2.0
249.09056	1.5
253.01292	1.6
253.08582	1.8
257.18958	1.8
259.20712	1.4
261.09018	1.3
262.09900	0.9
263.07037	2.9
263.10602	2.3
264.07788	1.1
265.04913	1.4
265.08585	2.2
266.05780	2.3
267.02969	1.8
267.06287	1.5
267.13620	0.9
268.03964	1.0
269.04449	1.5
275.20105	1.9
276.07834	1.6
277.08585	2.0
278.09412	2.2
279.06638	1.5
279.10156	3.2
280.07227	1.7
281.05252	1.4
281.07977	6.5
283.06006	1.2
283.09439	0.9
289.08676	1.8
290.09155	1.9
291.06796	1.8
291.10117	4.5
292.07150	1.3
292.10916	0.9
293.08038	2.4
294.08862	2.2
295.06195	1.8
295.09628	3.0
295.13312	2.3
296.03058	1.4
297.04129	1.1
297.07611	1.3
298.04843	1.3
298.08139	0.8
306.08911	5.1
307.09540	5.3
308.10367	1.8
309.07651	4.3
310.08304	3.9
311.05453	6.7
311.09033	1.9
312.13214	0.9
313.06989	2.7
313.10327	1.1
317.08209	1.4
319.05890	1.4
319.09256	1.2
321.07666	1.8
321.11090	7.9
322.11783	2.3
323.09009	2.5
323.12732	4.4
325.07004	1.9
325.14185	1.0
334.08121	1.4
335.09018	1.8
336.09494	0.9
337.10577	1.3
338.11465	2.8
339.12231	1.1
341.10229	4.5
342.10544	1.9
343.11615	1.7
349.10599	3.1
350.11151	3.5
351.08426	2.1
351.12125	1.9
353.09473	1.8
353.13800	31.0
354.14291	4.8
366.11069	1.3
367.11176	0.8
369.13239	7.2
370.13376	1.0
381.13315	43.4
382.13623	9.4
383.14368	1.2
399.14374	10.7
400.14545	1.1
440.32294	1.1
453.18985	1.7
481.18521	3.7
497.36398	0.9
513.35645	1.9
514.35852	2.7
515.38464	0.9
516.04535	1.1
516.39233	1.2
534.40155	1.8
552.41919	1.0
554.60327	0.9
607.43274	2.9
608.43927	7.1
625.44470	5.0
626.21478	5.2
626.34314	1.7
626.44745	15.0
627.21246	2.1
627.44513	0.9
635.77020	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27158	0.8
53.03947	0.8
55.01874	1.7
55.05495	1.6
60.73553	0.8
67.05498	3.0
69.03426	7.0
69.07057	2.6
69.20024	5.3
70.91720	0.6
73.02915	3.7
79.05498	3.2
81.07056	4.2
83.04982	4.3
83.08597	0.9
85.06519	0.8
91.05481	6.1
93.07047	6.3
95.04981	2.9
95.08619	4.5
97.02898	6.9
97.06529	4.3
99.04477	1.3
101.23544	0.7
105.07031	7.8
107.04996	1.2
107.08600	6.6
109.06509	10.8
109.10165	3.7
111.08086	2.8
113.05902	0.7
115.03946	2.7
115.05475	0.8
117.07011	3.9
119.08578	8.5
121.06490	2.5
121.10152	5.1
123.08076	4.8
125.06001	2.9
125.09606	1.2
128.06230	2.4
129.07025	2.8
131.08563	7.2
133.06458	0.9
133.10123	6.4
135.08069	3.8
135.11710	1.4
137.05969	1.5
137.09624	3.2
139.07559	2.4
141.06960	4.2
142.07747	1.3
143.03503	0.8
143.08556	12.4
145.06479	2.3
145.10127	10.8
147.08072	4.8
147.11702	3.6
149.09636	2.5
149.13272	0.9
151.07507	1.0
153.07033	0.9
155.07297	1.2
155.08580	4.3
156.09348	1.3
157.06509	1.1
157.10124	8.1
159.08122	3.6
159.11732	6.0
161.09645	7.5
161.13220	1.3
163.07503	1.1
163.11186	2.1
165.07025	1.4
165.09135	8.4
167.07138	1.2
167.08452	3.7
167.10699	0.9
168.09381	1.5
169.10130	7.3
171.08043	3.4
171.09315	0.7
171.11650	6.9
173.09654	3.3
173.13297	2.3
175.11169	3.7
177.09048	1.1
179.08582	3.1
179.10645	0.9
180.09354	1.5
181.10081	4.7
182.10835	1.3
183.08096	1.0
183.11719	5.9
185.09605	4.0
185.13258	2.0
187.11145	5.6
189.09105	2.1
189.12737	1.5
192.09340	1.7
193.10106	5.5
194.10933	1.5
195.11691	7.6
197.09624	3.7
197.13240	3.4
199.11227	3.1
201.12784	2.4
203.10680	2.0
203.14368	1.1
205.10144	3.1
206.10950	3.3
207.11687	5.7
208.12553	1.8
209.09616	2.2
209.13289	5.3
211.11163	2.6
211.14827	2.9
213.12781	3.6
215.10640	1.0
217.10097	1.2
218.10924	1.8
219.11722	4.3
220.12477	2.5
221.07367	0.7
221.09679	1.5
221.11665	0.8
221.13286	6.7
222.13971	1.7
223.11198	3.4
223.14758	4.2
224.11911	1.2
225.12726	3.1
225.16393	2.3
227.10643	1.7
227.14214	1.7
229.10191	1.1
229.12315	1.0
230.11070	2.2
231.11708	1.9
232.12489	1.0
233.09659	1.3
233.13281	3.1
235.11214	1.6
235.14824	7.3
236.15587	1.7
237.12759	2.5
237.16257	4.4
239.14330	2.7
241.15950	1.0
243.11836	1.4
244.12445	0.9
245.13232	4.8
246.14008	1.7
247.14784	3.3
248.12003	0.9
249.12712	2.2
249.16556	2.1
250.13464	0.8
251.14343	1.4
251.17935	1.4
253.15784	3.5
255.17451	1.2
259.14856	1.7
260.15869	0.9
261.12833	1.4
261.16400	1.6
262.17035	0.8
263.14337	10.6
263.17975	2.4
264.14905	1.6
264.18399	1.0
265.12396	0.8
265.13254	1.0
265.15945	6.2
265.19284	4.6
267.12106	4.9
271.14783	1.5
273.16373	1.3
275.14661	0.9
275.17996	2.1
277.15820	1.2
278.16623	0.9
279.14206	1.0
279.17368	1.8
281.15872	3.4
281.19049	3.2
283.17352	0.9
283.20572	2.0
287.17911	2.3
289.16095	1.4
289.19598	1.6
291.17432	2.1
292.18176	1.2
293.15549	1.2
293.18939	10.2
294.19553	0.9
295.17084	1.5
295.20505	1.1
305.15347	3.0
305.19061	2.6
307.16986	1.3
307.20322	1.1
309.18723	1.1
309.22147	2.1
311.20068	6.3
312.20541	0.8
315.17422	2.3
323.16473	2.4
323.20139	1.8
325.17990	2.7
333.18423	2.9
335.20062	2.5
337.21649	0.9
347.20111	1.6
351.19415	1.4
353.21384	4.1
365.21277	1.4
369.16681	0.9
371.22324	3.6
379.22723	1.0
383.22406	0.8
389.21323	1.3
397.23807	0.9
402.71094	0.8
407.22260	1.8
411.21652	1.5
415.25122	1.0
425.23129	8.0
426.23087	1.0
435.21640	2.1
437.19315	1.1
441.26376	1.0
443.24139	10.6
444.24585	1.0
449.23138	1.7
451.24854	1.3
453.22711	24.2
454.23071	3.0
455.20724	0.8
459.27432	2.4
467.24231	2.3
469.25742	7.5
470.26010	1.1
471.23758	45.1
472.24194	5.6
477.23108	1.1
485.25162	6.5
486.25952	1.2
487.27393	5.3
488.25656	0.8
489.24829	5.0
495.23779	8.2
503.26376	4.1
513.24829	31.1
514.25049	3.5
529.27997	10.7
530.28247	1.3
531.25861	100.0
532.26196	12.0
545.27637	1.4
547.29016	11.8
548.29047	1.8
549.26910	12.8
555.25928	3.3
573.26874	14.1
574.27173	1.9
591.28033	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.0
55.05516	5.0
65.03924	2.9
67.05502	9.5
68.87833	2.0
69.03429	9.9
69.07072	5.5
69.30318	2.6
69.85140	8.3
70.92789	1.9
71.04980	4.4
73.02921	2.5
79.05501	10.2
81.07047	11.4
83.04996	11.9
83.08641	2.8
85.02921	7.9
85.06572	2.5
91.05474	13.0
93.07064	15.8
95.04975	5.3
95.08595	10.8
97.02898	16.8
97.06536	8.2
103.03941	2.9
105.07021	20.4
107.08585	16.3
109.06515	31.9
109.10170	7.6
111.08079	5.2
113.02347	2.2
115.03963	4.2
115.05412	2.7
117.07021	9.6
118.37582	1.9
119.08560	25.7
121.06480	2.7
121.10173	10.5
123.08065	12.0
125.06004	4.0
128.06235	5.1
129.07018	8.6
131.08565	15.7
133.06477	4.6
133.10133	15.4
135.08072	7.0
135.11693	2.9
137.05965	5.2
137.09613	6.5
139.07483	2.5
141.07022	7.6
142.07787	4.8
143.08545	24.6
144.08978	2.7
145.06424	4.9
145.10121	19.3
147.08055	10.6
147.11710	8.5
149.09682	2.8
153.05490	2.9
154.07750	3.1
155.08513	10.8
156.09351	4.2
157.10107	18.8
159.08060	10.3
159.11673	10.9
161.09566	12.3
163.07565	2.7
163.11185	2.7
165.07077	7.0
165.09148	5.8
167.08540	12.0
168.09348	3.2
169.08791	4.2
169.10126	20.1
171.08064	6.5
171.11697	18.1
173.09651	8.4
175.11157	6.6
178.07761	2.8
179.08556	8.0
179.34851	2.3
180.09381	5.4
181.10107	18.1
183.11652	11.2
185.09596	10.9
185.13240	6.6
187.11218	15.9
189.09152	3.3
191.08614	5.5
192.09325	6.8
193.10100	13.4
194.10951	3.5
195.08174	3.7
195.11653	17.8
196.12527	3.0
197.09651	6.2
197.13246	12.3
199.11115	6.4
199.14848	2.9
201.12766	4.7
203.08734	3.4
203.10626	4.4
204.09344	3.8
205.10168	7.1
206.10960	7.1
207.11662	14.0
209.09644	5.2
209.13226	16.8
210.14105	3.2
211.11223	10.1
211.14793	5.1
213.08954	3.1
213.12726	7.6
215.10869	2.2
217.10147	5.4
219.11649	9.4
220.12457	7.0
221.09718	5.5
221.13216	17.2
222.13971	2.8
223.11183	6.9
223.14856	8.6
225.12764	7.1
225.16475	2.8
227.14330	4.5
230.10808	6.5
231.11810	4.5
232.12361	4.7
233.09589	3.5
233.13313	8.3
234.14168	2.6
235.11292	5.0
235.14799	17.9
236.15543	4.6
237.12779	6.0
237.16336	11.1
239.14294	6.4
239.17944	4.0
243.11624	3.4
244.12456	3.5
245.13280	8.5
246.14037	7.3
247.11165	3.4
247.14894	8.9
248.15390	5.1
249.12772	4.9
249.16434	9.5
250.17023	3.3
251.14326	5.0
251.17955	5.8
252.15224	3.0
253.15894	5.2
258.13919	2.7
259.14844	6.0
260.15439	3.1
261.16611	3.2
261.43994	2.2
263.14340	17.8
263.17905	6.2
264.14935	3.7
264.18625	3.4
265.12637	3.2
265.15930	15.5
265.19470	17.9
266.16336	3.1
271.14777	2.8
273.16434	3.9
275.17880	15.3
276.18439	2.6
277.15958	4.0
279.17535	3.9
281.15732	5.4
281.18958	5.1
283.17166	3.5
283.20450	3.4
287.17862	3.5
290.16687	2.4
291.17465	6.5
292.18173	3.0
293.15732	4.3
293.18991	44.3
294.19305	3.2
295.17041	2.9
301.15280	2.8
303.17792	2.7
305.15454	4.0
305.18869	2.3
307.17166	3.6
307.20499	3.3
309.18668	3.0
309.22186	7.5
311.20032	67.2
312.20419	6.6
317.18893	3.0
323.16425	6.0
325.17911	18.4
327.23227	2.7
329.21164	6.4
333.18448	3.3
335.20044	18.0
336.20358	2.6
351.19589	3.8
353.21085	58.9
354.21527	3.2
371.22266	30.8
389.23196	4.8
393.20230	2.9
407.22266	11.4
417.20471	4.9
425.23343	11.8
435.21661	83.7
436.21835	8.2
443.24417	2.4
449.22968	3.0
451.24643	9.8
453.22739	100.0
454.22940	8.7
467.24210	2.5
469.25580	7.6
471.23734	33.0
472.23517	3.3
477.22791	14.5
489.24658	5.7
495.23834	49.6
496.23975	5.0
511.26724	6.3
513.24835	87.2
514.25482	13.3
529.27844	7.7
531.25861	86.2
532.26453	12.4
549.26300	6.2
555.26056	13.5
573.27191	11.1
609.29089	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.317
Annotation	Unknow
Peak:m/z	Relative Intensity
63.78466	3.2
67.05508	5.5
69.03452	6.0
69.07066	7.3
70.19405	12.2
73.02915	6.3
79.05502	7.8
81.07069	7.1
83.04989	5.8
91.05474	5.2
93.07047	10.0
95.04974	4.3
95.08618	9.6
97.02870	4.5
97.06565	6.3
105.07050	12.3
107.08617	10.0
109.06516	31.8
109.10114	3.7
111.08101	7.6
117.07012	5.1
119.08597	13.2
121.10120	7.6
123.08081	10.5
125.06002	7.8
128.06149	3.3
128.38602	3.4
129.06976	9.0
131.08615	6.2
133.10147	7.2
135.08105	3.6
137.05977	7.3
143.08516	18.8
145.10164	11.7
147.08017	5.6
149.09683	4.1
151.03896	4.2
153.05502	3.8
155.08614	13.9
157.10141	15.4
159.11610	5.1
166.07849	3.6
167.07185	3.1
167.08571	8.0
169.10153	18.2
171.11732	13.1
173.09698	5.7
173.13235	4.8
175.11214	4.1
179.08557	6.3
181.10136	16.0
183.11708	10.5
184.07474	3.5
185.09547	4.6
187.11234	11.3
192.09464	4.9
193.10187	10.3
195.11746	14.5
197.09676	4.6
197.13278	7.5
199.11179	5.0
199.14917	4.1
205.10155	4.7
206.10829	5.5
207.11696	9.5
209.09860	3.7
209.13306	7.8
211.11244	4.3
217.10194	4.9
219.11765	8.0
220.12228	3.8
221.13332	6.8
223.14864	11.1
232.12511	4.9
233.13312	7.5
235.14905	11.5
237.16418	14.1
239.14394	3.7
245.13293	6.3
247.11475	3.2
247.14911	14.8
249.16449	7.9
259.14594	4.2
261.16586	4.3
265.15826	22.9
266.16635	4.3
267.17361	6.1
277.15793	4.1
279.17471	4.0
295.20462	17.0
297.18671	4.4
309.18591	3.7
335.19949	4.5
341.17490	9.4
353.21048	4.5
371.22086	28.0
409.24011	5.1
427.24969	10.5
437.23169	6.7
453.23154	6.1
455.24295	98.2
456.24783	18.5
467.24451	8.2
469.25766	9.6
473.25345	92.5
474.25662	9.4
485.25482	31.1
487.27377	4.0
495.23782	8.2
503.26385	37.9
513.24799	15.1
515.26276	15.1
531.25861	100.0
532.26996	6.3
545.27686	7.0
549.26813	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.7
56.74018	0.9
57.03489	1.1
57.07085	1.2
63.63902	1.0
67.05513	4.7
69.07045	2.4
69.11668	8.8
71.04974	1.2
79.05493	3.8
81.07052	8.4
91.05487	4.6
93.07037	4.5
95.08614	7.2
98.22554	2.0
98.45837	0.9
105.03400	3.0
105.07034	4.5
107.08597	5.0
109.10163	2.8
117.07037	1.2
119.08587	3.2
121.10135	2.8
123.11708	5.6
133.10114	3.8
135.11719	1.2
145.10112	1.3
147.11673	3.3
151.11115	1.4
161.13316	1.3
167.07027	2.8
173.09668	1.3
198.06854	1.0
201.09172	1.5
202.09857	1.9
203.17940	9.0
208.08798	1.1
221.09642	1.3
221.18967	13.4
225.05356	1.1
227.07103	2.8
228.07854	1.3
235.11205	2.1
237.09065	2.8
239.07021	1.3
240.07793	1.7
241.04851	1.0
247.07512	1.2
248.08369	2.8
249.09129	2.7
250.09790	1.6
251.10603	2.0
252.11476	3.1
253.08765	1.8
254.06035	1.1
254.09055	1.7
255.06589	2.0
256.07269	2.6
257.07877	1.5
258.08664	1.2
262.09909	1.3
263.08084	0.9
263.10535	5.0
264.11331	2.3
265.08624	8.3
265.12146	1.9
267.10376	1.6
267.13837	3.0
269.08200	1.3
269.11609	1.2
271.09503	1.7
272.06641	1.2
277.08560	4.2
277.12192	1.1
279.10181	2.8
280.10904	8.8
281.11658	4.1
282.08838	2.2
284.06931	2.0
285.07642	1.4
285.11163	1.2
287.09232	3.1
291.10269	2.0
292.10840	3.0
293.07999	3.6
293.11432	1.8
294.08838	1.3
295.13275	9.3
296.13736	1.2
297.11206	3.0
299.09180	3.1
300.10098	1.2
305.11774	1.2
306.12497	3.4
308.10464	4.5
309.11227	8.0
312.13721	1.8
323.12799	8.1
324.13535	7.1
325.10681	3.5
325.14380	3.5
327.15677	2.1
340.13165	3.0
341.13687	3.0
355.15381	100.0
356.15851	14.0
387.18057	13.1
388.18658	1.2
389.19577	17.4
390.19791	1.8
463.00754	1.0
529.38739	3.4
587.46259	1.0
627.42047	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.3
67.05506	0.5
69.04198	0.8
69.04623	1.5
69.07056	0.5
79.05497	0.3
81.07064	0.4
93.07037	0.3
95.08610	0.9
105.07037	0.7
107.08566	0.3
119.08602	0.6
121.10146	0.3
133.10135	0.4
141.07106	0.3
145.10229	0.3
147.11743	0.4
159.08093	0.4
165.07042	0.2
167.07108	0.3
173.09645	0.6
183.08151	0.3
190.56131	0.3
191.08487	0.4
193.10207	0.4
195.08156	0.4
197.06000	0.4
197.09657	0.3
201.09137	1.7
202.08110	0.3
202.09811	1.6
203.17986	1.7
205.06674	0.3
205.10220	0.3
207.11679	0.5
207.90840	0.2
209.09625	1.0
210.06764	1.1
211.07466	1.3
212.08286	0.4
213.05496	0.5
219.08078	0.7
220.08836	1.5
221.09607	0.9
222.06731	0.4
222.10187	0.3
223.07648	0.3
223.11209	0.3
224.08385	0.5
224.11824	0.3
224.28349	0.2
225.09050	1.0
226.06342	0.9
226.09959	0.3
227.07048	0.7
228.07826	0.6
231.08101	0.4
233.09579	0.9
234.06783	0.4
234.10451	0.5
235.07547	0.4
235.11172	2.4
236.08417	0.3
236.11832	0.6
237.09062	3.1
237.12785	0.4
238.06355	0.4
238.09848	0.9
239.06979	0.9
239.10599	0.5
240.07869	1.0
241.04997	0.8
241.08549	0.5
242.05760	0.4
243.06516	0.3
245.09653	0.5
247.07535	0.7
248.08337	3.2
249.09123	3.5
250.06311	0.5
250.09818	0.8
251.07109	0.6
251.10638	2.2
252.07710	0.4
252.11531	1.9
253.08652	0.9
253.12186	0.7
254.09296	1.2
255.06612	0.7
255.10240	0.3
256.07263	1.7
257.08057	0.6
258.08759	0.4
261.09088	1.4
262.09897	1.1
263.07422	0.5
263.10678	6.6
264.11432	2.2
265.08633	7.5
265.12140	1.1
266.09335	1.7
266.12933	0.7
267.06567	0.5
267.10162	0.7
267.13794	1.9
268.07370	0.5
269.04599	0.4
269.11584	0.3
270.08884	0.4
271.09692	1.6
272.06931	0.3
276.07858	0.5
277.08618	8.5
277.11703	0.3
278.09152	1.7
279.07065	0.4
279.10239	2.3
280.10956	8.6
281.08365	0.3
281.11636	3.2
282.08969	1.7
282.11786	0.4
283.09579	0.4
284.06778	1.2
284.09781	0.3
285.07501	0.9
285.10751	0.3
287.09113	0.4
291.10034	1.7
292.10818	1.8
293.08084	2.7
293.11725	1.8
294.08856	1.6
294.12442	1.2
295.09787	0.9
295.13260	9.6
296.13846	1.9
297.11142	2.2
298.11871	0.6
299.09167	2.2
300.09821	0.9
303.08517	0.4
305.11740	0.4
307.09592	0.7
308.10382	1.9
308.13586	0.4
309.11191	8.1
310.08478	0.5
310.11755	0.8
311.09106	0.4
311.12625	0.4
312.13608	0.8
313.10538	0.7
317.10159	0.8
318.10770	0.5
322.11880	0.4
323.12769	8.2
324.13528	8.6
325.10681	2.7
325.14261	1.8
326.11090	0.3
327.15924	1.1
331.11713	0.5
340.13040	3.4
341.13770	0.9
345.13412	0.7
355.15402	100.0
356.15955	13.8
357.16785	0.3
372.15643	0.3
387.18045	12.0
388.18372	0.7
389.19547	1.1
549.66553	0.3
627.28168	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.05477	0.9
63.96962	0.5
67.05460	1.1
69.07043	1.1
75.63671	0.5
79.05481	1.3
81.07019	1.8
88.67728	0.6
91.05447	0.9
93.07036	1.3
95.08555	1.6
105.03358	0.7
105.07012	1.7
107.08569	1.2
107.45421	0.6
109.10161	1.0
119.08528	1.3
121.10121	0.9
123.11662	0.7
131.08589	0.7
133.10098	0.8
134.87984	0.5
139.07562	0.5
145.10071	0.8
147.11693	1.2
173.09714	0.8
182.07253	0.8
196.05202	0.6
196.59712	0.6
203.17963	0.7
209.09531	0.6
211.07501	1.5
219.08080	0.9
220.08736	0.7
221.09561	0.8
225.09030	0.9
226.06245	0.8
227.06982	1.1
235.07535	0.8
235.11143	1.7
237.09155	2.2
238.06235	0.7
239.07010	1.9
239.10719	1.0
240.07765	1.1
241.04924	1.6
241.08644	1.1
242.05666	0.9
243.06546	0.9
247.07506	1.0
248.08307	0.8
249.09100	2.5
250.09879	1.1
251.07057	0.9
251.10675	1.5
252.04121	0.8
252.11429	1.0
253.08601	2.4
253.12225	1.3
255.10098	0.8
256.07263	2.3
257.08084	2.5
259.05826	0.7
261.09113	1.1
262.09906	0.7
263.07266	0.5
263.08109	0.6
263.10669	4.4
264.07974	0.6
264.11215	1.3
265.08652	5.1
265.12213	2.0
266.05673	1.6
266.09348	2.4
267.06503	3.7
267.10062	1.9
267.13742	1.3
269.04443	0.9
269.08112	0.8
269.11700	1.0
270.05414	0.7
270.08591	0.6
271.09604	2.3
277.08450	3.0
278.09457	0.7
279.10141	4.5
280.07742	0.8
280.10873	4.0
281.08127	2.8
281.11697	7.9
282.08716	0.9
283.09637	1.0
284.06802	7.6
284.09970	1.0
285.07535	10.8
287.09058	0.7
290.09393	0.7
291.10089	2.4
292.10934	1.6
293.08096	2.2
293.11710	4.9
294.08780	2.0
294.12387	2.1
295.09888	1.3
295.13290	6.6
296.13687	0.7
297.11145	3.9
297.14374	0.9
298.08359	0.9
298.11792	0.7
299.09225	5.3
300.09891	5.2
301.10370	0.8
302.07980	0.8
306.12512	1.6
307.09738	2.6
307.12891	0.8
308.10416	4.4
309.11237	11.5
309.14603	0.5
310.11792	2.5
311.09268	0.9
311.12747	1.4
312.13467	2.1
313.10666	1.6
313.14374	1.5
314.11441	10.3
315.11749	0.6
317.10254	2.2
322.11932	3.9
323.12778	9.3
324.13501	3.8
325.10672	4.8
325.14331	6.0
326.11301	1.2
326.14874	0.8
327.16089	3.4
340.13007	9.1
341.13824	27.7
342.14087	2.1
345.13144	0.8
355.15393	62.0
356.16150	85.5
357.16568	6.3
359.18610	3.6
372.15869	0.8
387.18008	100.0
388.18411	6.9
529.38519	1.2
609.45190	0.6
626.29492	1.6
627.44867	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.05513	5.5
56.48844	1.1
57.03426	2.9
64.50065	1.2
67.05498	11.6
69.07060	4.1
69.25191	8.9
79.05492	9.0
80.05824	1.5
81.03408	1.1
81.07052	10.4
83.04988	1.4
83.08624	3.1
85.06551	1.3
91.05484	6.4
93.07046	7.1
94.64925	1.1
95.04969	3.0
95.08595	7.0
98.22759	3.6
105.07030	5.9
107.08591	5.3
109.06513	1.8
109.10154	3.4
110.33945	1.2
117.07040	2.6
119.08581	4.1
121.10154	2.7
125.09606	1.2
127.07570	2.0
129.06937	1.4
131.08568	3.0
133.10127	2.2
135.11803	1.4
143.08653	1.9
145.10165	2.2
146.10461	1.2
147.11722	1.9
149.13272	1.5
151.11250	1.1
154.38753	1.2
159.11650	1.9
161.09648	1.6
161.13217	1.4
163.11099	1.3
165.07077	1.0
167.06987	1.1
173.09663	1.5
179.14412	1.8
209.09625	1.7
211.07607	1.4
219.08040	1.3
220.08846	2.8
221.09657	2.7
227.06992	1.7
235.11198	2.4
236.11754	1.9
237.09106	7.0
238.06210	1.5
238.09698	1.3
239.07068	2.1
239.10635	2.1
241.04906	2.3
241.08444	1.1
242.05838	1.4
247.07672	1.7
248.08249	3.1
249.09145	3.2
251.06953	2.3
251.10739	1.5
252.11436	3.9
253.08603	3.4
253.12167	2.6
255.06584	2.7
255.10208	1.5
256.07266	3.5
257.08112	4.3
261.09177	1.3
262.09882	1.7
263.10657	6.9
264.11465	2.5
265.08606	9.0
265.12183	2.1
266.09314	2.5
266.13223	1.4
267.06561	2.9
267.10229	2.0
267.13803	2.4
269.11688	3.8
270.09036	1.3
271.09558	2.7
273.07715	1.2
274.18784	1.8
275.20255	1.7
277.08630	2.3
277.12473	1.5
277.21689	2.0
279.06839	1.2
279.10236	4.8
280.10889	9.9
281.08051	3.5
281.11679	11.1
282.08667	1.9
282.11880	1.6
283.09592	1.8
284.06796	4.3
285.07587	16.0
286.08105	1.5
287.08884	1.7
291.10068	5.6
291.19348	6.7
292.10696	1.5
292.19763	3.1
293.08112	4.7
293.11703	6.4
294.08975	3.1
294.12558	4.2
295.09879	2.4
295.13171	16.4
296.10461	1.1
296.14044	2.9
297.11246	6.7
297.14160	1.4
298.08350	1.6
298.11777	1.3
299.09183	7.0
300.09967	5.5
300.16705	1.2
302.08011	1.4
307.09738	2.4
307.13168	1.5
308.10461	6.1
309.11298	16.2
309.14832	3.0
310.11951	2.4
311.09320	1.7
312.13440	7.1
313.10757	1.6
313.14148	1.6
314.11389	10.1
315.11649	1.2
322.11914	2.3
323.12762	17.0
324.13492	9.4
325.10587	5.4
325.14337	7.6
326.11111	1.4
326.14706	1.3
327.15906	8.6
337.14374	3.6
340.13229	5.1
341.13815	24.1
342.14420	1.5
355.15381	93.3
356.16144	89.4
357.16693	7.2
359.18610	8.8
360.18741	1.4
372.15701	1.6
387.17996	100.0
388.18237	7.7
474.33652	1.3
608.43561	1.5
609.44690	1.3
625.43573	1.5
626.44849	7.9
627.45538	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66596	0.4
53.03941	0.6
55.05515	3.0
57.07076	2.2
65.03941	0.7
67.05184	0.4
67.05509	6.7
69.07066	5.1
69.09803	3.5
71.08605	0.5
79.05484	2.8
79.28983	0.3
81.07057	9.6
83.08612	1.8
91.05486	4.4
93.07038	4.0
95.08609	26.4
96.08916	0.6
97.06505	0.4
97.10175	0.6
103.05444	0.4
105.07034	36.9
106.07332	1.0
107.08600	6.8
109.10157	10.8
110.10519	0.4
117.07047	0.7
119.08585	20.5
120.08907	0.4
121.10130	6.0
122.10442	0.4
123.11716	5.7
131.08560	1.3
133.10133	14.5
134.10451	0.4
135.11700	2.2
137.05963	1.4
145.10107	1.8
147.11691	25.2
148.12030	1.1
159.11685	1.3
160.12476	1.1
161.13257	9.0
162.13609	0.5
163.14771	1.1
167.07065	1.2
167.13882	0.4
175.14801	3.7
182.16502	0.4
188.15523	0.5
197.06001	0.5
198.06801	0.6
199.07562	1.5
203.17958	100.0
204.18294	6.2
205.08710	0.5
212.04660	0.4
213.05498	0.5
213.27385	0.4
219.10098	0.4
221.11667	0.4
221.19048	1.5
226.06259	1.2
227.07018	5.8
228.07722	1.0
237.12679	0.4
241.08589	1.6
243.06560	0.8
244.07332	1.0
255.06541	2.3
256.07162	0.4
257.08014	0.9
259.09665	1.5
269.08026	0.8
272.06732	0.9
273.07590	1.7
273.11258	0.3
283.09735	0.5
286.08469	0.6
287.09116	5.0
288.09885	2.3
297.14719	0.6
301.10779	0.8
319.11761	0.9
325.14377	4.0
326.14960	1.4
329.17181	0.4
357.17032	2.5
374.17142	0.9
389.19586	34.7
390.19867	3.5
591.36877	0.4
626.65381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92323	0.9
53.03921	1.0
55.05496	5.3
57.07064	3.1
61.52624	1.0
65.03938	1.1
67.05506	11.7
69.07063	6.6
70.48705	1.2
70.49048	2.2
71.08641	1.4
71.52800	0.9
75.66854	1.1
79.05484	8.1
81.07056	17.3
83.04996	1.0
83.08608	2.3
91.05466	8.2
93.07030	10.5
95.04962	1.4
95.08606	36.2
96.08925	1.5
105.07031	46.3
105.89776	0.9
107.08595	11.4
108.24120	1.0
109.06495	1.0
109.10155	13.3
117.06997	2.0
119.08582	25.8
119.24196	1.1
121.10138	7.5
123.11696	4.5
131.08530	2.3
133.10124	20.0
135.11682	4.0
137.05997	1.9
145.10161	1.4
147.11687	29.0
149.09596	1.1
159.11617	1.4
161.13275	11.1
167.07083	1.8
175.14868	3.5
177.16412	1.0
199.07509	2.4
203.17946	100.0
204.18269	5.2
219.10023	1.0
219.17657	1.1
227.07034	6.5
241.08749	1.8
244.07294	1.2
251.10643	1.0
255.06502	3.5
257.08029	1.6
259.09702	1.8
273.07675	1.8
285.07272	1.0
287.09082	5.2
288.09991	2.3
291.19571	1.5
292.19781	1.4
325.14310	4.2
326.15112	1.0
355.15369	3.4
356.16089	2.1
357.16708	1.9
387.17926	3.3
389.19571	33.1
389.24573	1.6
390.19928	3.4
398.93414	1.1
432.06641	1.1
627.46973	1.1
633.35840	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
53.05202	0.6
55.05517	3.6
57.07083	2.6
59.39491	0.5
65.03937	0.6
67.05500	7.3
69.07063	5.2
69.29253	0.9
69.29654	3.6
79.05498	3.2
80.24638	0.5
81.07053	12.1
82.31436	0.5
83.04946	0.7
83.08620	1.8
91.05480	5.6
93.07040	5.1
95.08606	28.4
96.08925	0.6
103.05442	0.6
105.07032	34.7
106.07372	0.9
107.08589	6.8
109.10163	9.8
117.07034	1.3
119.08583	21.4
120.08909	1.0
121.10142	6.4
123.11708	6.0
124.44490	0.6
131.08578	1.5
133.10130	15.7
134.10527	0.5
135.11674	1.9
137.05946	1.4
145.10110	1.2
147.11690	26.3
148.12117	1.0
159.11662	0.7
160.12482	1.0
161.13271	9.2
163.14806	1.6
167.07065	1.1
175.14873	2.9
179.17372	0.6
183.27069	0.5
184.05334	0.6
198.06731	0.6
199.07590	1.6
203.17952	100.0
204.18292	5.0
213.05444	0.6
221.18948	1.0
226.06291	1.1
227.07065	5.4
228.07802	0.7
241.08577	1.9
243.06305	0.5
244.07361	1.1
245.08318	0.8
255.06535	2.0
257.08173	0.8
259.09592	1.1
265.12225	0.6
269.08115	1.0
269.11505	0.5
272.06799	0.9
273.07590	1.6
287.09155	3.9
288.09839	2.2
293.11670	0.8
297.14844	0.8
301.10745	0.8
311.13052	0.6
319.11636	1.2
323.12875	0.5
325.14233	2.9
326.15002	0.8
355.15491	1.4
356.15945	1.7
357.16873	1.8
374.17041	1.0
387.17816	1.7
389.19568	35.6
390.19934	3.6
486.47882	0.5
612.62494	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.1
67.05495	20.6
69.07031	6.9
71.33001	4.0
79.05509	11.8
81.07053	20.3
82.07394	5.1
91.05489	14.0
93.07039	20.2
95.08609	44.9
105.03358	11.9
105.07026	47.9
107.08595	15.0
108.40829	4.5
109.10149	20.7
119.08625	25.3
121.10140	13.9
131.08511	6.7
133.10132	18.5
145.10133	8.9
147.11696	31.3
161.13269	8.4
203.17946	100.0
204.18367	17.6
214.00656	5.4
287.08896	6.8
305.46353	4.8
325.14090	5.9
389.19485	51.0
529.39209	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1555
Annotation	Myricetin 3-robinobioside
Peak:m/z	Relative Intensity
51.11215	0.2
53.03939	0.4
54.16016	0.3
55.01864	0.3
55.05490	0.4
57.03444	1.6
61.02937	1.6
68.99792	0.7
69.03417	0.8
70.65462	0.5
71.04993	11.9
73.02908	0.7
75.04482	0.5
81.03414	0.5
83.04962	0.7
85.02906	16.1
86.03233	0.3
87.04452	0.4
91.03960	1.2
97.02878	1.3
98.23237	0.3
99.04461	0.2
109.02875	1.0
111.00816	1.7
111.04422	0.4
111.19430	0.2
121.02824	0.5
123.04446	0.3
127.03899	1.1
129.05475	4.3
137.02313	1.3
139.03841	0.5
145.04956	1.1
147.06491	1.3
151.03940	0.5
153.01819	8.3
153.03072	0.4
153.05444	0.3
154.02205	0.4
165.01857	2.8
166.02599	0.4
179.03329	1.2
183.02878	0.9
189.05467	0.4
191.03255	0.3
195.02945	0.5
199.03981	0.3
203.03415	0.7
215.12401	0.3
217.04956	2.6
221.04419	0.3
227.03596	0.3
229.04991	0.5
235.02362	0.4
235.06052	0.4
244.85936	0.2
245.04451	4.0
255.02928	0.6
263.05441	0.4
273.03888	3.5
274.04306	0.4
290.04297	0.9
291.04880	0.4
301.03537	1.3
303.04947	4.9
319.04468	100.0
320.04816	5.3
331.04337	0.5
343.04385	0.3
361.05563	0.5
385.05411	0.5
424.60696	0.3
465.10394	0.3
465.17078	0.6
481.10037	0.7
566.23083	0.5
592.20770	0.4
627.21234	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.9
50.11851	0.8
53.03946	6.0
55.05505	5.6
63.66605	0.9
67.05503	2.3
67.30848	0.9
69.07084	1.3
72.00014	1.0
79.05473	2.0
81.03403	1.2
81.07073	2.8
83.04985	4.9
85.02914	1.2
91.05486	2.2
93.07039	2.2
95.04973	4.4
95.08600	2.0
95.92234	1.1
98.23172	5.1
105.03390	53.1
105.04527	2.4
105.07014	1.7
106.03720	1.1
107.04910	1.0
109.02889	1.5
117.07055	1.1
119.08576	2.3
121.10168	0.9
129.06972	1.0
131.08551	1.3
133.10168	1.6
153.06990	1.2
153.81953	1.0
159.08037	1.6
159.11751	1.6
165.05510	5.1
165.07028	3.5
167.03374	3.3
167.08556	1.8
169.06528	1.4
176.85132	1.0
179.08528	2.3
181.06522	1.1
182.07248	10.8
183.07991	1.3
188.08405	4.2
194.07376	1.5
195.07979	1.8
196.08795	1.7
197.09641	9.3
199.07596	2.9
203.10660	4.9
207.08095	2.4
210.06743	17.1
211.07457	2.7
218.23169	1.1
220.08818	1.4
222.06717	2.1
223.07539	1.9
224.08249	2.2
225.05600	2.1
225.09079	35.9
226.06374	3.2
226.09283	1.2
227.07034	3.6
231.10091	1.4
235.07535	5.1
237.05501	1.8
237.09171	1.4
238.06290	13.3
239.03352	1.4
239.07051	2.5
240.07794	6.9
241.04898	1.6
241.08588	2.0
242.09373	2.8
243.09874	1.3
249.09120	3.6
250.09979	2.8
251.07143	5.6
251.10574	2.4
252.07816	5.6
253.05029	2.1
253.05508	1.6
253.08589	35.6
254.05782	3.7
254.09128	3.5
255.06519	3.3
255.10207	3.1
257.04529	2.0
257.08218	1.0
261.09189	1.4
262.09940	1.5
263.06982	2.4
263.10739	1.5
265.05133	1.6
265.08575	2.3
265.12161	2.6
266.05707	4.8
267.06464	4.4
267.09906	4.7
268.07242	7.2
269.07996	3.6
270.08923	2.8
271.05917	2.2
277.08548	3.4
278.09204	5.6
279.10132	4.7
280.07407	2.4
280.10593	1.5
281.08075	57.7
282.05374	2.1
282.08563	6.0
283.06006	1.7
283.09650	5.6
284.06818	2.5
285.04123	2.3
285.07764	2.3
285.11230	3.3
290.09344	1.3
291.06912	1.6
291.10172	4.1
292.10736	1.9
293.08118	3.6
293.11719	4.4
294.12192	1.3
295.09662	4.7
295.12881	1.9
296.06836	3.7
297.07547	3.6
297.10938	1.2
298.08386	5.2
299.05637	1.9
299.09137	2.9
300.06277	3.7
301.07092	2.8
305.08215	3.1
306.08813	1.7
307.09634	4.5
308.10446	2.9
309.07751	1.3
309.11227	3.0
310.08298	1.9
310.11908	3.0
311.09106	27.0
312.09674	5.1
313.07098	3.2
313.10687	10.9
315.05087	1.3
315.08542	6.7
316.05725	1.4
319.09644	1.7
320.10513	2.2
321.07578	3.2
321.11227	4.1
322.08206	1.3
323.09128	2.4
323.12787	5.6
325.14307	19.8
326.14691	1.5
327.08612	6.2
328.09366	3.1
336.09982	3.3
337.10629	3.5
343.11752	100.0
344.12085	7.3
351.12244	13.7
352.13043	5.7
353.10150	1.4
353.13870	16.7
354.14197	1.9
355.15396	6.3
359.08865	2.2
368.12241	1.2
374.10876	2.1
375.08157	1.4
375.12445	1.2
383.14899	49.6
384.15158	4.3
390.10538	2.8
405.13092	26.9
406.13641	3.1
422.09857	2.5
437.06625	1.0
447.14420	4.1
505.18329	18.9
527.16766	40.4
528.17010	4.3
529.99890	1.1
626.44836	1.2
627.45160	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.281
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.05507	2.5
67.05508	1.2
69.76488	3.3
70.02958	1.4
83.04984	2.3
91.05489	1.5
93.07032	0.9
98.23260	0.8
105.07059	0.7
106.06571	1.0
108.08133	1.3
119.08601	1.0
120.04519	0.9
120.20427	0.6
124.07587	0.7
128.95674	0.7
129.07031	0.9
131.07292	1.0
133.10114	0.8
136.07578	1.6
138.09137	1.0
143.08507	0.8
146.09677	1.5
154.07608	0.8
172.07542	1.0
174.09149	4.8
178.00076	0.7
182.09702	0.8
186.07826	0.9
186.09251	0.8
187.08681	1.8
187.12335	5.1
188.10727	2.3
197.07112	1.0
197.10736	1.6
210.09360	1.1
211.08734	2.0
212.09343	1.7
213.10248	1.3
213.13945	0.9
215.11790	3.5
223.08707	1.0
223.12372	0.8
224.09508	1.3
225.10214	4.0
226.10965	1.4
227.11870	3.0
228.09058	0.9
235.08742	1.3
237.10268	1.7
239.11841	4.2
239.57866	0.8
241.13412	2.8
243.11292	30.1
244.11722	1.4
249.10320	1.6
251.08214	1.0
251.11823	1.9
252.08852	1.0
253.09698	1.7
255.11195	1.2
265.09631	1.6
267.11264	9.4
269.12689	3.7
277.09729	2.0
279.05972	0.8
285.12338	3.3
291.11124	1.3
295.10858	2.9
300.11456	1.5
301.12534	1.0
301.15607	4.5
309.12360	2.6
311.14212	1.0
312.12018	0.8
314.13062	2.1
315.13522	1.2
316.10806	0.9
316.14496	1.3
317.12009	0.8
318.12305	1.3
319.10678	1.8
320.13870	1.0
325.15466	12.4
326.12881	1.1
327.13382	7.0
328.10818	2.0
328.14423	2.1
329.11816	2.3
330.12405	3.5
330.15991	1.6
331.13168	1.1
332.14056	0.9
334.15451	1.1
341.11606	1.2
342.12421	4.3
342.15793	1.6
343.13226	3.8
344.03027	0.9
344.14056	3.9
345.14783	1.5
346.15472	2.1
348.13583	3.3
354.12335	1.5
354.16364	1.0
355.13174	1.1
356.13873	4.3
357.14835	2.2
358.15366	3.5
359.16125	0.9
360.17044	1.1
368.14389	1.0
370.15662	2.9
371.16391	1.2
372.13153	1.0
372.17166	5.6
373.17984	1.0
374.14789	1.3
382.15710	0.9
384.12985	0.8
384.17313	1.3
386.14908	2.3
386.19147	1.4
387.15448	0.8
390.17996	0.9
400.16660	3.1
402.14297	0.9
403.15765	1.0
405.17136	1.1
407.15054	1.6
408.16010	0.8
414.18015	1.1
416.16162	1.7
418.17743	1.6
419.18854	1.5
420.16541	1.5
421.12384	0.9
422.17773	1.0
431.18927	1.9
432.19577	3.9
435.14484	1.8
436.19559	1.3
437.19812	2.3
445.20322	1.2
447.21771	2.8
449.15338	1.0
449.20401	1.2
450.16522	1.6
450.22061	0.9
451.16934	1.2
451.22144	1.0
460.18625	1.1
461.24368	1.5
462.24792	3.8
463.22000	4.1
464.18176	1.6
465.18826	15.1
466.19684	1.9
467.20770	1.0
475.20920	1.1
477.19559	1.4
478.20090	1.6
479.20593	6.1
480.21387	4.3
481.22144	4.0
489.22989	1.7
490.19696	1.7
491.21271	1.0
492.21808	3.9
493.22739	5.3
494.22961	1.2
503.20355	0.9
504.21451	3.3
505.22253	1.0
506.23486	1.1
507.24118	5.0
508.21552	0.8
517.22394	1.6
518.22797	1.1
519.19806	1.1
520.21161	1.7
521.25659	1.0
535.23444	7.2
536.23785	1.6
537.20709	1.2
539.26965	0.9
540.24243	0.9
541.24011	1.4
549.24927	13.9
550.24554	3.0
552.24237	0.8
553.24542	2.9
554.25604	1.1
567.25989	79.2
568.26337	10.7
577.24365	2.3
595.25488	53.2
596.25684	7.7
627.28131	100.0
628.28436	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2814
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.01862	1.5
55.05506	5.4
66.75783	1.4
67.05505	7.2
69.07064	3.4
71.32014	2.9
73.91977	1.7
74.13553	1.5
79.05495	7.1
81.03421	1.9
81.07067	7.8
83.08627	1.8
87.37061	1.8
89.06036	5.3
91.05495	5.6
93.07054	6.5
95.04946	2.6
95.08608	6.5
97.10197	1.9
98.98531	1.8
105.03358	2.6
105.07033	5.7
107.08576	3.7
109.10183	2.9
113.12485	1.3
117.07028	1.4
119.08607	4.9
121.06557	1.7
121.10181	2.4
123.73970	1.3
131.08575	3.0
133.08621	3.4
133.10150	3.5
143.08569	1.9
145.10121	2.3
145.72653	1.5
147.11719	2.3
149.13277	1.6
155.08575	1.5
157.10126	1.7
159.11664	1.8
161.13260	1.5
181.22665	1.3
205.71696	1.4
221.19888	1.8
251.81102	1.7
262.13080	1.5
293.21460	1.6
350.97549	1.3
351.02084	1.4
355.15381	3.3
356.15808	4.4
367.19345	2.8
373.88013	1.4
379.19269	2.3
392.19867	1.6
395.18640	3.4
409.20593	1.8
418.17838	1.7
419.18427	1.7
420.19122	2.5
421.20200	3.0
434.20999	2.2
436.22916	2.1
437.23431	5.6
438.20709	3.3
439.21677	2.4
447.21994	3.1
449.23383	5.0
453.22739	9.1
454.23441	1.8
463.25037	3.2
465.22827	2.6
469.26212	4.1
475.21185	3.0
476.21420	2.6
497.25558	4.6
507.23050	2.8
508.24457	1.8
512.27917	4.0
522.26453	3.1
523.27002	8.5
525.25067	4.1
529.39093	8.1
531.23761	3.1
540.27350	31.2
541.27692	3.2
549.25110	4.4
551.27374	1.7
567.25958	11.3
583.28564	1.6
591.26038	6.4
609.27057	7.5
609.44672	2.5
610.28009	1.8
627.28101	100.0
627.45190	5.9
628.28418	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.1
53.03951	6.7
55.01875	21.4
55.05514	26.1
55.05791	1.2
57.03183	1.4
57.03437	10.7
57.07062	3.1
65.03938	5.1
67.05505	77.6
68.05820	1.3
69.03416	2.2
69.07071	34.6
69.14291	7.3
70.07404	1.0
71.04994	4.2
71.08627	1.9
77.03909	2.0
79.05491	61.6
81.03408	6.1
81.07057	100.0
82.07389	2.2
83.04974	9.8
83.08614	11.6
85.06553	2.9
88.39375	0.7
91.05478	62.2
92.05819	1.6
93.07042	64.0
94.07367	1.4
95.01345	5.9
95.04962	11.5
95.08606	55.1
96.08921	1.8
97.05907	1.8
97.06532	33.9
97.10166	4.8
99.08092	2.5
103.05454	3.0
103.63342	0.7
105.04520	1.4
105.07030	70.7
106.07344	1.9
107.04957	15.6
107.08591	28.4
109.06525	12.7
109.10153	18.8
111.08078	3.5
113.09633	1.6
114.76804	0.9
115.05437	2.3
116.06290	1.5
117.07012	15.1
119.08577	34.1
120.08939	1.6
121.06512	3.7
121.10140	19.6
122.10531	0.9
123.04425	4.4
123.08059	4.1
123.11691	6.1
125.09676	2.1
129.07024	4.2
130.07744	1.2
131.07578	1.0
131.08563	24.3
133.10126	37.0
134.10448	1.3
135.08058	5.2
135.10773	1.4
135.11702	12.9
137.09583	4.3
137.13252	1.8
138.06796	2.0
139.07535	2.4
141.07034	1.3
142.07689	0.9
143.08565	4.9
145.06506	1.8
145.10118	16.6
146.10570	1.0
147.07953	1.0
147.11679	18.0
149.09618	7.2
149.13264	6.3
151.11221	1.7
153.08940	1.0
153.12697	0.9
155.08589	2.0
157.10124	5.4
159.08092	0.9
159.11694	14.1
161.03522	0.8
161.09647	1.2
161.13257	8.0
163.11183	5.4
163.14833	2.1
165.09125	2.9
165.12807	1.8
169.10159	2.0
171.11691	2.8
173.13260	6.1
174.15361	0.9
175.11214	1.2
175.14780	2.0
177.12732	4.1
179.14313	15.0
183.11703	2.7
185.13243	2.6
187.11183	3.0
187.14850	2.3
189.94534	0.8
191.14413	1.2
193.12219	0.8
197.13269	2.3
201.16405	1.5
205.12364	1.0
205.19452	1.2
215.14183	1.1
215.17882	1.2
219.14000	1.0
219.17436	23.0
229.19525	2.8
239.17897	3.6
243.21153	0.9
247.20581	5.2
249.40221	0.9
257.19028	7.0
261.22217	4.1
273.18597	0.9
275.20053	89.5
276.20456	6.3
277.21613	1.0
291.19531	3.3
293.21127	6.6
295.13428	1.1
309.11282	1.3
317.24872	1.7
323.12695	1.1
335.25800	93.5
336.26184	8.4
349.23718	21.8
350.24036	2.7
355.15381	5.2
356.16229	2.7
387.18152	4.1
392.59195	1.0
402.34784	1.4
529.39703	1.3
609.45117	55.9
610.44977	10.2
627.45947	8.1
628.45941	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.05512	73.8
67.05479	1.9
71.32582	1.9
81.07069	1.3
83.04983	100.0
91.05444	2.7
93.07074	1.2
105.07009	1.7
122.00538	1.0
133.10080	1.1
141.05533	1.6
159.08026	1.2
165.07071	1.3
176.06299	1.3
178.07791	3.0
179.08563	1.7
199.04059	1.1
205.06512	2.1
207.08150	1.2
221.06004	1.2
223.07584	1.6
233.05998	2.7
235.07431	1.5
237.05508	1.9
239.03587	1.4
239.06929	1.9
240.04228	1.2
249.05603	3.8
250.06197	2.1
251.07024	2.7
253.04857	1.4
253.08586	2.0
254.01997	2.3
261.05469	3.6
262.06268	1.7
263.07080	8.4
264.07809	1.3
265.04956	2.7
265.08600	3.0
267.02939	2.5
267.06601	1.4
275.06897	1.7
277.05081	2.4
277.08597	5.8
278.05792	1.8
279.06485	3.6
280.03793	1.1
280.07138	1.7
281.08069	2.7
283.06107	1.3
289.04965	1.7
290.05618	1.5
291.06488	11.0
292.07367	2.4
293.04477	1.7
293.08032	2.6
295.06039	1.5
295.09644	1.4
297.03870	2.2
298.04626	2.6
307.05905	2.2
308.06714	2.8
309.07547	3.8
313.07019	4.6
319.05841	8.2
320.06674	1.4
321.07617	3.8
323.09171	7.8
334.08206	1.5
335.05490	2.1
336.06198	1.9
337.06952	2.2
350.07922	2.0
351.08661	17.3
352.09048	1.5
369.09753	1.9
379.08090	11.4
383.11328	2.3
411.10648	2.1
479.13208	2.5
632.88953	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
63.53328	0.7
67.05506	1.2
69.03421	1.8
69.07061	0.9
69.39485	3.1
79.05489	1.0
80.65763	0.7
81.07063	0.8
85.02892	2.8
91.05462	3.1
93.07050	1.8
95.05022	0.8
95.08578	1.6
97.02895	1.7
97.10098	0.8
100.50677	0.7
105.07032	1.8
107.04922	1.3
107.08596	0.8
108.05726	1.1
109.06570	1.2
119.08557	0.9
121.06519	0.9
123.04414	1.3
123.08096	1.7
135.04401	1.2
135.08035	0.9
136.05209	4.9
137.05951	2.3
138.06790	1.0
143.81142	0.7
148.05199	5.0
151.03899	2.2
151.07529	5.5
154.06261	1.1
159.08069	4.9
161.05893	0.9
165.05486	2.9
165.09129	0.8
166.06259	29.5
167.06921	1.4
169.08557	1.3
173.09604	2.3
175.07573	2.2
175.11008	0.7
176.08191	0.9
180.07779	1.5
181.08594	100.0
182.09000	3.8
187.07552	4.7
188.08194	1.4
189.09128	1.8
193.08604	1.4
195.10159	8.9
201.09064	3.4
202.09888	17.2
203.07010	15.8
203.10506	1.4
204.11450	2.2
215.06932	3.9
216.11473	6.0
217.08617	1.3
218.09378	32.5
219.09827	2.7
230.09448	2.1
232.10913	1.6
233.11728	42.9
234.12073	2.2
235.13206	2.3
245.11746	14.4
246.12181	1.1
247.13336	7.7
249.11140	1.0
263.12814	2.8
298.27255	1.2
328.13013	1.2
336.13541	1.5
358.13959	1.6
367.15424	2.4
371.14929	4.3
382.17542	4.1
383.14514	0.9
398.17044	1.4
413.19592	24.3
414.19812	1.6
415.21094	2.0
441.80725	0.8
448.34088	2.4
511.87170	0.8
533.26520	0.8
629.29492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.05513	19.6
56.05848	0.7
67.05508	1.0
79.05487	1.0
80.99033	0.6
81.07039	1.3
83.04980	24.5
91.05463	1.3
93.07014	1.2
95.08598	0.7
98.22606	1.1
102.65610	0.7
105.07028	1.4
107.08578	0.8
118.83537	0.7
165.06990	1.8
167.07089	1.1
179.08562	1.2
182.07227	3.9
183.07834	0.7
186.87045	0.7
188.08308	2.5
194.94771	0.8
195.07983	0.9
197.09659	3.7
203.10640	6.9
207.08023	1.1
210.06758	7.4
211.07341	1.3
222.06786	1.4
223.07469	1.8
224.08435	1.7
225.05540	1.5
225.09096	22.9
226.06187	1.5
226.09442	2.3
227.06972	1.7
231.10260	1.4
235.07547	2.1
237.05353	0.9
238.06232	6.4
239.06950	1.3
240.07875	3.4
241.08595	0.8
242.09314	1.1
250.09909	0.9
251.07059	2.3
252.07808	2.1
253.08600	23.6
254.05872	1.5
254.08995	2.9
255.06541	1.6
255.10153	2.4
263.07004	1.3
266.05731	2.3
267.06519	2.2
267.10062	1.9
268.07230	3.3
269.07727	1.2
270.08932	2.8
278.09268	2.7
280.07263	2.3
280.10461	0.7
281.08087	50.8
282.05383	1.4
282.08450	6.4
283.09647	3.2
284.10114	0.9
285.03894	2.0
285.07452	0.7
285.11227	2.3
293.08496	0.9
293.11633	3.7
296.06754	1.9
297.07443	1.8
298.08298	2.8
300.06296	2.0
301.07086	1.2
306.08401	0.9
311.09106	24.6
312.09659	5.8
313.07117	1.5
313.10632	9.2
314.11014	1.8
315.08609	7.4
316.09140	1.7
317.06436	1.1
319.09702	1.2
320.10416	0.9
321.11176	2.3
323.12909	1.7
324.13275	0.7
325.14243	2.6
326.14578	1.9
328.09317	2.9
336.09882	2.0
337.10532	1.5
343.11755	100.0
344.12070	13.6
351.12314	6.8
352.12933	3.8
353.09970	1.0
353.13867	3.2
354.14099	2.1
355.15466	0.9
356.15863	0.8
383.14859	19.9
384.15271	6.5
400.11505	1.5
405.13184	1.2
406.13449	2.5
425.15833	4.3
426.16074	0.8
505.18234	2.6
506.18643	10.0
507.18805	1.1
528.17181	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.6
55.05495	1.5
57.03439	23.0
59.05002	4.8
61.02927	3.6
62.75061	1.3
67.05518	4.6
67.24454	1.4
69.03430	79.0
69.07062	3.7
71.01365	2.3
71.28976	1.7
71.29349	1.2
72.06843	1.3
73.02921	13.7
75.04491	1.9
79.05489	2.7
81.03421	5.7
81.07065	4.6
83.01350	2.3
83.04995	2.8
85.02909	53.6
87.04472	43.4
91.03972	2.1
91.05500	3.9
93.07059	3.4
94.84940	1.4
95.04982	3.0
95.08614	4.1
97.02892	80.3
99.04462	3.3
103.03949	2.2
104.50993	1.5
107.08596	3.2
109.02883	3.5
109.10171	3.0
111.04440	2.5
114.09534	1.4
115.03928	84.5
116.04281	2.0
117.05507	2.0
117.70021	1.5
121.10173	2.2
123.04453	2.1
123.08070	1.5
125.09625	1.4
127.03915	12.8
133.04967	100.0
134.05316	2.3
135.04417	1.4
135.11668	1.4
137.05971	2.1
139.03935	3.8
142.07797	1.3
145.04967	10.6
150.07660	4.2
151.03958	2.5
153.05489	2.6
157.03836	1.4
157.04947	6.8
159.11720	1.6
162.07538	2.1
163.03883	1.4
163.06047	4.9
165.05550	1.7
167.14365	2.4
175.05992	4.0
176.23123	1.4
185.15370	7.0
193.05069	3.3
199.06024	2.0
203.88287	1.3
211.06007	6.6
211.90195	1.3
217.06966	2.6
223.06039	1.9
229.07066	21.3
241.07184	2.8
247.08136	9.5
259.08188	5.7
265.09183	10.0
277.09244	1.9
290.90375	1.4
295.10144	3.3
383.24060	2.1
466.12061	1.5
487.28683	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50750	0.4
67.05496	0.5
67.53580	0.4
68.98902	4.6
71.10941	0.4
79.05510	0.5
91.05457	0.7
98.22666	1.2
98.23354	0.9
99.04415	0.9
139.24924	0.4
143.08603	0.5
150.02672	0.4
165.07079	0.4
171.08051	0.8
173.09642	0.8
194.85748	0.4
195.08032	0.5
197.09625	0.5
201.09113	1.1
202.09938	1.9
204.07469	0.4
209.09590	1.0
210.06741	1.3
211.07542	1.0
219.07961	0.8
220.08821	1.0
221.09586	1.1
223.07568	0.6
223.11150	0.5
225.09108	1.3
226.09885	0.7
234.10291	0.6
235.07442	1.0
235.11140	2.1
237.09087	3.9
238.06253	1.2
238.09813	1.2
239.07018	1.4
240.07787	0.7
241.05052	1.1
242.05640	0.7
243.06494	0.8
247.07603	1.2
248.08275	2.7
249.09138	4.0
250.06276	0.9
250.09831	1.2
251.06946	0.9
251.10802	2.6
252.07738	0.7
252.11424	1.7
253.08589	1.0
253.12238	0.7
254.09282	0.6
256.07297	1.4
257.08054	0.8
262.09940	0.9
263.07242	1.1
263.10663	4.8
264.07901	0.5
264.11313	1.4
265.08612	8.8
265.12155	1.6
266.09195	1.7
267.06415	1.1
267.10083	0.8
267.13824	1.6
269.08261	0.6
269.11710	1.2
271.09647	1.1
276.07684	0.7
277.08652	4.9
277.12064	0.9
278.09131	1.0
279.06943	0.6
279.10095	3.0
279.13123	0.7
280.10910	9.5
281.08392	0.6
281.11575	3.4
282.08945	1.0
282.12296	0.7
284.06833	1.7
285.07535	1.4
287.09109	0.7
290.09424	0.5
291.10098	3.1
292.10812	3.1
293.08102	4.2
293.11682	1.6
294.08649	1.2
294.12015	0.5
295.09894	1.0
295.13251	9.2
296.13812	0.9
297.11160	2.5
299.09097	2.0
300.09756	0.6
305.11633	0.6
306.12411	2.1
307.09500	1.4
307.12729	0.6
308.10471	3.4
309.11151	5.9
310.11789	0.9
311.08954	0.6
311.12637	0.6
312.13647	1.2
323.12732	6.1
324.13486	4.6
325.10693	2.9
325.14117	0.9
326.11252	0.7
327.15860	1.1
340.13055	3.3
341.13812	1.6
355.15387	100.0
356.15848	13.1
356.20157	0.9
387.13312	0.7
387.17987	10.1
388.17963	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.8
58.51329	0.6
59.04996	0.7
59.25935	0.6
67.05482	1.9
69.07056	1.2
70.82571	1.2
79.05481	1.4
81.07043	2.2
81.90269	0.6
89.06013	2.2
91.05476	2.2
93.07052	1.2
95.08586	1.6
99.04456	0.7
101.05989	1.0
105.07024	2.2
127.03843	0.6
131.08585	0.7
133.08577	0.9
133.10153	0.9
135.11861	0.7
145.10175	0.7
153.05501	0.9
159.08005	1.8
159.11798	0.8
167.07054	0.8
173.09679	1.4
179.08516	0.9
188.08275	0.6
192.09375	0.7
195.08047	1.1
203.08655	0.7
204.09280	0.6
205.06508	0.9
207.08075	0.8
207.11768	0.7
209.09615	2.5
210.06708	1.1
211.07478	1.3
213.05420	1.2
219.08035	1.9
220.08812	2.5
221.09659	3.0
223.07515	1.3
223.11040	1.0
224.08429	0.8
224.11862	1.1
225.09103	2.2
226.06229	2.2
226.09795	0.8
227.07057	1.7
229.04826	0.9
233.09555	1.2
234.10291	1.5
235.07547	0.9
235.11073	3.2
236.08327	0.8
236.11880	1.6
237.09106	8.4
237.12726	0.9
238.06241	1.3
238.09775	1.9
239.07072	1.8
239.10632	1.7
240.07863	1.1
241.04909	3.2
241.08543	1.4
241.12285	1.2
242.05615	1.1
242.09398	0.9
243.06485	2.0
247.07556	0.9
248.08311	2.8
249.09073	4.9
250.06244	0.7
250.09813	3.4
251.07115	1.7
251.10699	5.0
252.07671	1.7
252.11438	6.5
253.08670	4.9
253.12102	3.0
254.09305	2.5
255.06514	1.8
255.10056	2.3
256.07260	3.8
257.08157	3.1
259.06000	1.3
259.09677	1.4
261.09314	0.9
262.09875	2.1
263.07764	1.0
263.10648	9.6
264.08163	0.7
264.11380	3.0
265.08600	13.9
265.12167	4.6
266.09338	3.4
266.12845	1.4
267.06497	2.1
267.10187	3.7
267.13818	2.5
269.04645	0.8
269.08041	1.2
269.11780	3.9
270.08875	1.8
270.12119	0.7
271.09506	3.3
273.07553	1.0
276.07822	1.2
276.11298	0.7
277.08524	2.9
277.12128	1.7
278.09387	2.5
279.06598	1.3
279.10135	4.7
279.13486	1.3
280.10910	15.3
281.08115	5.0
281.11694	13.0
282.08826	2.7
282.12335	1.7
283.09503	1.2
283.13126	0.8
284.06781	2.4
284.09943	0.8
285.07596	14.7
285.10873	1.6
286.08063	1.7
287.09106	1.6
288.09875	0.8
291.10175	6.4
292.07767	0.7
292.10846	3.3
293.08060	6.5
293.11707	7.5
294.08859	3.9
294.12448	2.4
295.09726	3.0
295.13242	23.8
296.13974	5.3
297.07852	1.2
297.11182	10.7
297.14542	1.1
298.08182	1.7
298.11569	1.3
299.09152	8.5
299.12595	1.1
300.09830	5.6
301.10544	0.8
302.07803	1.3
303.08533	1.1
304.09393	1.0
305.11673	1.6
306.12634	0.8
307.09662	1.8
307.13223	1.4
308.10437	7.9
308.13824	1.3
309.11163	16.4
309.14841	5.5
310.11865	3.0
311.09286	1.5
311.12518	1.1
312.09973	1.3
312.13501	11.7
313.10715	2.1
313.14301	3.0
314.11475	10.1
314.14795	0.6
317.10190	2.7
323.12762	19.4
324.13535	15.3
325.10638	4.5
325.14325	8.9
326.11414	2.7
326.15118	0.7
327.15872	11.5
337.14301	6.2
339.12103	1.0
340.13022	5.6
341.13809	26.5
342.14206	1.8
344.16061	1.1
354.14667	1.1
355.15375	100.0
356.16113	90.6
357.16599	7.0
359.18573	9.5
372.15707	1.0
387.17987	92.9
388.18335	8.3
411.17917	0.9
619.85168	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16388	0.2
55.05510	0.3
57.07076	0.2
57.12309	0.2
67.05497	0.5
69.07064	0.3
69.16206	1.1
69.16622	0.4
71.08647	0.3
71.37184	0.2
71.88377	0.2
74.53362	0.2
79.05505	0.4
79.23228	0.2
81.07039	0.7
83.08646	0.2
85.02889	0.3
85.06519	0.2
89.06023	0.6
91.05473	0.5
91.90471	0.2
93.07035	0.5
95.08597	0.4
98.23399	0.4
105.07025	0.4
107.08618	0.2
111.04459	0.2
119.08584	0.4
125.06019	0.3
131.08611	0.3
133.06445	0.2
133.08580	0.3
145.10158	0.3
157.06625	0.2
158.07269	0.2
159.08046	0.6
165.06984	0.4
167.07045	0.3
167.08493	0.3
168.00319	0.2
171.11693	0.2
173.09624	0.9
181.06479	0.3
182.07283	0.2
183.07909	0.3
187.07530	0.4
191.08549	0.3
192.09329	0.5
195.08136	0.4
195.10048	0.2
196.05223	0.3
196.08771	0.2
197.05977	0.3
201.09088	1.4
202.07994	0.4
202.09850	1.9
203.08543	0.3
205.10226	0.3
206.10783	0.2
207.08060	0.6
207.11684	0.7
208.08835	0.4
209.05893	0.3
209.09708	1.1
210.06792	0.9
211.07550	1.2
212.08324	0.3
213.05492	0.5
217.10098	0.3
218.07295	0.2
219.08002	1.1
220.08797	1.8
221.09579	0.8
222.06711	0.3
222.10321	0.2
223.07578	0.6
223.11115	0.4
224.04689	0.2
224.08270	0.5
224.11951	0.3
225.05492	0.3
225.09087	0.7
226.06302	0.8
226.09882	0.4
227.07050	0.7
231.08047	0.4
232.08904	0.3
233.09674	0.9
234.06767	0.7
234.10403	0.5
235.07504	0.8
235.11150	2.6
236.08292	0.4
236.11943	0.4
237.05452	0.3
237.09088	3.4
237.12762	0.4
238.06229	0.6
238.09859	0.9
239.06981	1.4
239.10718	0.6
240.07758	0.9
240.91539	0.2
241.04965	0.9
241.08530	0.6
242.05635	0.2
242.09375	0.2
243.06485	0.6
243.10312	0.2
245.09637	0.4
247.07472	1.4
248.08281	3.7
249.09116	5.0
249.12885	0.2
250.06180	0.5
250.09828	0.7
251.06975	0.8
251.10722	2.4
252.07875	0.4
252.11423	2.2
253.08528	1.2
253.12175	0.5
254.09363	1.4
255.06664	0.3
255.10052	0.3
256.07358	1.6
257.08139	0.6
258.08832	0.6
261.09131	1.4
262.09833	0.9
263.07147	0.7
263.10672	7.5
264.07919	0.4
264.11404	3.0
265.08615	8.9
265.12100	1.4
266.06131	0.4
266.09354	1.6
266.12994	0.8
267.06543	0.6
267.10101	0.8
267.13779	1.9
268.07266	0.3
268.10776	0.2
269.08212	0.2
269.11761	0.6
270.05405	0.2
270.08868	0.5
271.09644	1.6
276.07709	0.5
277.08606	9.6
277.11826	0.5
278.09213	1.7
279.06995	0.3
279.10172	2.7
280.10938	9.1
281.08200	0.4
281.11606	3.4
282.08862	1.4
282.12033	0.5
283.06232	0.3
283.09348	0.5
284.06934	1.1
284.09906	0.3
285.07535	0.9
285.11209	0.6
286.08224	0.3
287.05728	0.2
287.09042	0.4
291.10156	2.0
292.10892	2.0
293.08078	3.6
293.11703	2.7
294.08780	2.1
294.12488	1.3
295.09714	1.0
295.13260	10.0
296.10437	0.4
296.13916	1.8
297.07803	0.3
297.11157	2.9
297.14417	0.5
298.11691	0.4
299.09155	2.5
300.09869	0.6
301.07150	0.2
305.11639	0.3
306.12424	0.3
307.09756	0.9
308.10431	2.4
308.13760	0.3
309.11188	9.1
310.08417	0.5
310.11810	1.2
311.09109	0.4
311.12613	0.5
312.13528	0.8
313.10779	1.0
317.10199	0.3
318.11060	0.3
322.12082	0.6
323.08984	0.4
323.12778	8.8
324.13522	9.0
325.10690	3.8
325.14288	1.8
326.11264	0.5
327.12677	0.2
327.15906	1.5
331.11749	0.6
338.15164	0.3
340.13083	4.0
341.13629	1.0
345.13309	0.4
355.15384	100.0
356.15939	12.9
357.16632	0.5
372.15674	0.5
387.18015	10.9
388.18402	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
63.91045	0.3
67.05483	0.3
70.33643	0.8
70.34046	0.6
79.05463	0.4
81.07027	0.6
91.05463	0.5
91.31287	0.3
93.07012	0.5
95.08611	0.4
101.05997	0.6
105.07017	0.5
113.59950	0.3
133.08568	0.5
143.08566	0.3
159.08029	0.5
165.06960	0.6
167.07092	0.3
171.07961	0.4
173.09557	0.7
177.84846	0.3
181.06508	0.3
181.08679	0.8
182.07219	0.5
183.07990	0.4
193.10098	0.4
195.08080	0.4
197.06029	0.6
203.18040	0.5
205.06615	0.4
205.94411	0.4
207.11716	0.4
209.06013	0.4
209.09627	1.0
210.06779	0.9
211.07561	1.8
213.05510	1.0
219.08110	0.6
220.08858	0.6
221.09598	1.2
223.07532	0.4
223.11147	0.6
224.04715	0.5
225.09076	1.4
226.06226	0.5
227.07028	0.9
227.10580	0.3
228.07712	0.9
233.09631	1.0
234.06691	0.4
234.10381	0.5
235.07454	0.9
235.11194	1.7
237.05481	1.2
237.09073	2.0
237.12846	0.5
238.06175	0.7
238.09908	0.7
239.07094	2.3
239.10646	1.2
240.07675	0.5
240.11098	0.5
241.04866	0.9
241.08640	0.6
241.12253	1.0
242.05698	1.1
243.06470	0.8
245.09700	0.5
247.07509	1.3
248.08267	1.5
249.09052	2.6
250.09862	1.5
251.06973	1.1
251.10707	2.2
252.04152	0.9
252.07727	0.9
252.11356	1.1
253.04774	0.4
253.08627	1.7
253.12241	2.0
254.09306	1.2
255.06517	1.1
255.10081	1.0
256.07294	2.7
257.08099	2.4
259.06049	0.6
261.09219	0.9
262.09909	0.9
263.07135	0.7
263.10690	3.7
264.07870	0.5
264.11334	1.1
265.08630	4.7
265.12064	2.4
266.05890	2.2
266.09222	2.6
266.12799	0.3
267.06516	3.7
267.10095	1.4
267.13776	0.9
268.07147	0.7
269.04474	1.7
269.08344	0.5
269.11774	1.4
270.05133	0.6
270.08792	0.8
271.06073	0.5
271.09604	1.6
271.12543	0.4
273.07584	0.5
276.07938	0.5
277.08591	3.3
277.11920	0.7
278.09366	1.4
279.06851	0.7
279.10178	3.5
280.07303	1.4
280.10938	3.5
281.08176	2.8
281.11707	8.7
281.14709	0.5
282.08868	1.1
282.11984	0.7
283.06223	0.5
283.09637	1.0
284.06784	6.1
285.07556	11.8
285.10803	0.6
286.07956	1.3
287.09280	0.5
291.10153	3.1
292.10855	1.3
293.08099	2.8
293.11694	4.9
294.08835	1.9
294.12463	1.3
295.09610	1.9
295.13287	6.1
296.10464	0.4
296.13950	1.2
297.11218	3.9
297.14600	0.7
298.08313	0.9
298.11859	1.3
299.09128	6.5
299.12268	0.4
300.09839	4.0
302.07733	0.7
303.08365	0.4
305.11542	0.4
306.12329	1.0
307.09650	2.9
308.10416	4.1
309.11179	10.4
310.11826	3.1
311.09177	1.2
311.12671	1.1
312.10223	0.5
312.13394	2.2
313.10657	1.0
313.14206	1.1
314.11456	8.1
315.11963	0.5
317.10190	1.6
318.10733	0.6
319.11740	0.5
322.11929	3.5
323.09058	0.5
323.12762	7.7
324.13464	4.0
325.10666	4.3
325.14337	5.2
326.11407	1.5
326.14938	0.7
327.12262	0.7
327.15936	2.6
328.15808	0.4
329.13623	0.4
331.11871	0.8
337.14319	0.8
339.15973	0.7
340.08960	0.4
340.13058	8.0
341.13812	24.4
342.14157	2.5
345.13199	0.6
355.15387	55.6
356.16138	74.5
357.16608	7.0
359.18530	2.9
372.15762	0.5
387.17993	100.0
388.18295	8.6
619.79498	0.4
628.46381	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.3
55.05512	9.1
57.07088	3.9
59.12880	1.8
67.05503	18.5
69.07063	11.0
71.08614	2.7
79.05470	11.2
81.07066	21.0
83.08623	4.3
89.06035	29.9
91.05492	9.6
93.07066	11.7
95.08612	29.8
97.10212	3.0
102.51703	2.0
105.03396	3.8
105.07038	32.9
107.08584	15.0
109.10163	11.5
119.08578	26.0
120.08924	2.8
121.10147	7.7
123.11696	7.4
133.08594	24.7
133.10106	16.1
134.10448	3.6
135.11699	4.5
145.10158	4.7
147.11688	25.6
159.11685	2.4
161.13249	8.1
163.07578	3.1
167.07059	17.3
175.14787	2.5
176.00746	1.9
177.11255	8.5
203.17950	100.0
204.18422	6.7
205.12161	3.3
237.14876	4.9
389.18491	2.6
391.21216	20.0
411.17688	3.3
415.25360	5.4
530.39111	3.2
566.75189	2.3
628.46362	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.0
56.72892	0.8
57.06792	1.6
57.07077	29.3
58.04563	0.8
59.04996	0.8
62.48582	0.9
67.05501	4.6
69.07069	5.5
69.62456	0.7
69.77655	1.4
69.78057	2.7
71.08632	29.7
71.72811	0.8
73.06551	8.9
79.05489	3.9
81.07065	6.1
83.08624	5.4
83.34735	0.8
85.10181	17.6
87.04473	7.0
89.06031	100.0
90.06392	1.1
91.05480	3.5
91.07600	1.2
93.07053	3.9
95.08580	4.9
97.10158	5.5
99.08117	1.2
99.11726	3.2
105.07017	4.6
107.07064	2.9
107.08578	2.7
109.10151	2.4
111.11717	2.6
113.13274	1.8
117.09137	5.8
119.08605	4.0
120.08986	1.1
121.06438	1.0
123.11739	1.2
125.13268	2.1
127.14834	1.1
130.08629	1.7
131.07039	2.0
131.08551	1.1
133.08601	54.0
134.08989	1.0
135.10165	1.5
141.16455	1.2
143.08556	1.0
145.10124	2.0
147.11716	3.1
151.07561	1.8
159.11632	1.2
161.13264	0.8
163.11099	0.8
169.10201	1.0
175.09720	1.0
177.11224	20.3
179.14249	0.9
181.08647	0.9
191.10703	1.1
197.22630	2.7
203.17934	5.6
215.59627	0.9
218.45474	0.9
221.13722	4.0
227.12689	0.9
239.14877	1.0
241.25322	2.3
265.16672	0.8
275.20126	1.0
283.17578	1.1
285.27945	6.4
286.68298	0.8
327.20251	2.0
329.30542	3.6
355.15405	6.6
356.15714	3.5
357.16086	1.3
361.50656	0.9
371.23077	1.5
391.20859	0.9
415.25198	4.2
515.37085	1.1
516.90582	0.8
529.63019	0.8
530.39166	3.2
610.45239	1.0
611.47217	5.8
617.82574	0.9
628.47772	2.3
629.33405	1.0
629.47534	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.1
67.05508	0.9
71.32235	0.9
71.32672	1.0
74.70066	0.7
76.86366	0.7
83.04980	2.4
85.06564	0.7
93.07058	1.3
103.54617	0.7
105.03397	3.6
105.07062	0.9
121.16852	0.7
178.07782	0.9
182.07289	0.9
195.08073	2.1
199.07480	0.8
210.06664	1.7
211.07585	1.1
213.09196	0.8
221.06041	1.5
222.06738	1.2
223.07556	3.0
224.08351	1.0
225.05585	0.9
225.09120	2.8
227.07079	1.2
235.07542	2.2
236.04599	0.9
236.08279	1.2
237.05528	2.5
237.09166	1.1
238.06155	4.2
239.06976	2.3
240.04227	2.7
241.08598	1.0
242.05817	0.9
249.09222	1.1
251.07056	8.8
252.07709	3.6
253.05035	0.8
253.05873	0.9
253.08568	7.3
254.05704	1.5
255.06531	2.2
256.07196	1.4
263.06839	1.6
265.04916	1.1
265.08636	1.0
266.05750	3.2
267.06479	5.0
267.10226	1.7
268.07205	1.7
269.07870	1.7
270.08838	1.0
277.08533	1.1
279.06519	5.0
280.07263	3.1
281.08096	17.8
282.08685	3.0
283.05978	3.7
283.09637	2.8
285.07706	1.9
285.10974	1.6
286.04755	2.5
293.07993	1.8
294.08850	1.0
295.06213	1.7
295.09659	4.3
296.06964	0.9
297.07599	6.0
297.11307	2.2
298.08316	3.1
299.05585	1.2
300.07031	1.1
301.07123	4.7
303.23682	0.8
308.02664	0.8
309.07535	3.5
309.10977	1.5
310.08344	1.8
311.09073	9.0
312.09821	1.9
313.07047	4.6
313.10718	9.8
314.07852	1.1
315.08643	2.7
322.08090	0.9
323.05362	2.7
323.09027	2.0
325.07028	0.8
325.10806	2.1
328.09381	9.7
329.09909	1.4
335.08969	1.3
337.06876	0.9
337.10767	1.2
341.06244	0.7
341.10168	14.8
341.14133	1.1
342.10840	2.9
343.11734	9.8
353.10455	1.8
355.11807	4.8
358.08228	1.4
364.09143	1.7
367.11725	2.9
375.08133	1.1
376.09097	1.7
385.12952	6.5
389.10065	3.1
397.11911	0.8
407.11008	100.0
408.11417	7.2
448.13629	2.8
449.12042	7.7
469.16949	0.8
498.17352	0.8
507.16260	9.1
529.14685	52.5
530.14825	5.2
570.17291	0.9
629.19946	10.2
630.19824	2.3
643.34320	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2242
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
61.89456	0.6
71.30577	0.8
71.30943	0.8
77.07413	0.7
83.05019	0.9
98.85982	0.6
129.14455	0.9
136.12056	0.8
168.09225	0.9
396.12320	1.2
397.12827	3.7
398.13583	1.7
399.14575	1.2
400.15085	0.8
405.86450	0.7
409.13370	0.8
410.13837	3.2
411.14581	7.2
412.15182	4.8
413.16223	3.9
414.16229	0.9
423.14563	2.3
424.10742	1.1
424.15488	2.4
425.16330	15.2
426.16888	11.0
427.17557	4.4
428.18146	3.2
429.19391	1.0
437.16623	1.1
438.12671	3.5
439.13364	15.4
440.14194	3.4
440.19516	5.1
441.19290	36.2
442.19592	6.6
452.14523	4.5
453.15280	19.8
454.15881	8.4
455.16644	1.1
456.17868	1.3
465.15680	0.8
467.17139	25.4
468.17783	21.0
469.18750	12.9
470.19635	1.4
471.16879	1.4
472.17465	1.1
481.14578	10.6
482.14828	4.0
484.20944	2.7
485.17657	1.5
495.16965	2.1
496.17258	9.2
497.17853	2.6
498.18762	1.4
499.19736	1.0
500.20642	3.1
512.20007	3.0
513.21851	4.0
514.21649	2.5
523.20013	1.4
527.19281	1.1
541.20850	35.0
542.21106	7.2
546.21185	0.9
569.20270	100.0
570.20581	23.5
572.18762	0.9
573.23560	2.6
597.19611	23.7
598.19995	4.9
600.22394	0.8
601.22882	10.7
602.23212	1.8
629.22278	46.6
630.22723	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2356
Annotation	Gnidicin
Peak:m/z	Relative Intensity
52.46130	0.3
55.05504	0.4
70.32387	0.7
70.32796	0.6
77.92966	0.3
79.52039	0.3
81.07065	0.3
83.04991	0.4
91.40495	0.3
174.23566	0.3
219.75034	0.3
502.63306	0.3
531.19934	0.5
629.23553	100.0
630.23853	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96537	0.6
63.63231	0.4
65.09579	0.4
70.56624	0.5
70.56955	0.9
85.00326	0.4
91.92828	0.4
92.41823	0.4
95.49087	0.5
105.06963	1.9
109.13869	0.4
122.09644	0.8
123.04395	1.2
134.79436	0.6
134.80286	0.5
135.04463	0.8
139.03830	1.1
145.02779	0.5
146.06013	0.7
151.03864	0.7
155.92955	0.5
163.03938	2.7
188.07080	0.7
203.05247	1.4
269.11664	0.4
271.05838	0.6
287.12585	4.6
305.13589	1.9
314.42520	0.5
347.14841	0.5
363.64804	0.4
398.10126	0.4
449.17944	4.8
467.18915	100.0
468.19269	7.5
579.35217	0.4
629.24188	90.8
630.24628	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.4
64.96778	0.2
65.57018	0.3
67.05479	0.4
70.47406	0.4
70.47756	0.5
74.38747	0.2
77.70878	0.2
79.05493	0.4
81.03416	0.3
81.07066	0.8
82.43177	0.3
83.04979	0.7
93.07047	0.6
95.08617	0.3
105.07054	0.3
112.65946	0.2
124.72492	0.3
135.11757	0.3
145.06670	0.2
146.76607	0.2
147.08035	0.3
175.07246	0.2
182.38200	0.3
187.07639	0.2
242.44737	0.2
284.50308	0.2
337.14084	0.3
365.17282	0.5
409.19897	0.3
431.31216	0.3
439.21017	0.4
441.22549	0.5
463.24533	0.5
469.21896	2.1
479.24280	0.5
489.22253	0.6
495.27219	0.6
507.23395	2.3
508.24152	0.3
523.26788	2.1
537.24542	0.6
539.26147	6.1
540.26550	0.8
549.24707	0.9
551.21893	0.5
553.24139	0.2
555.25916	0.4
567.25580	18.9
568.26178	2.3
585.26636	0.4
629.25629	100.0
630.25995	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41315	0.2
67.05476	0.2
75.48602	0.2
81.07059	0.3
89.06026	0.5
93.07078	0.3
95.08614	0.3
98.23352	0.7
99.37059	0.3
125.95757	0.2
132.94174	0.3
133.10101	0.3
177.11227	0.4
228.81445	0.3
355.15283	0.4
470.17526	0.3
629.27289	100.0
630.27643	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2727
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
50.07170	0.8
52.00123	0.9
55.01867	0.8
55.05516	2.0
55.55820	0.8
67.05508	3.5
69.07065	2.4
69.45718	4.7
69.46095	1.5
69.46279	0.7
73.04762	0.8
79.05493	3.4
81.07061	5.8
89.06031	1.1
91.05812	3.2
93.07066	2.7
95.08604	3.4
105.07044	1.9
107.08624	2.3
109.10123	1.0
113.34151	0.9
121.10123	1.5
133.08614	1.2
133.10233	1.0
143.08569	0.9
177.11208	1.0
185.92883	1.0
225.04367	2.0
285.00909	0.9
291.09802	0.9
293.21280	2.5
356.06985	1.1
370.17795	1.5
371.10028	1.0
401.19543	1.8
420.10419	1.1
531.40381	2.7
543.05353	0.9
572.69177	0.9
611.39502	3.0
629.27325	100.0
629.38916	3.6
629.48383	3.6
630.27649	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.3
59.66573	0.6
67.05506	6.3
69.07065	1.9
69.24474	2.0
69.24899	3.0
69.89356	0.6
71.08631	1.3
79.05494	4.4
81.03407	1.3
81.07067	5.4
83.04991	0.8
83.08620	2.1
85.10206	0.8
89.06011	1.7
91.05480	2.6
93.07053	4.1
95.04971	0.6
95.08614	3.5
97.06529	0.7
99.08116	0.7
105.07013	1.6
107.08602	2.6
109.10169	1.9
117.07037	1.1
119.08583	1.9
121.10124	1.6
122.00484	0.6
131.08572	1.0
133.08607	0.6
133.10112	1.2
147.11656	1.1
153.94415	0.6
159.11690	1.2
269.17151	0.6
275.20157	1.2
277.21561	1.7
305.42279	0.6
317.20908	1.4
335.25806	1.7
337.27310	0.6
355.15411	1.9
356.16153	1.8
387.18082	2.1
402.02402	0.7
409.16208	100.0
410.16559	7.5
425.12958	0.8
427.17209	1.9
450.18903	5.2
531.40674	4.2
611.46246	2.3
629.34314	12.0
629.39331	5.1
629.49194	8.8
630.34052	1.3
630.40167	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.8
55.01873	4.0
55.05507	16.0
56.21451	1.4
57.03443	4.2
57.07075	4.7
65.03918	2.4
67.05505	38.5
69.04288	4.0
69.04709	11.3
69.07069	13.5
71.04996	1.7
71.08635	24.8
79.05492	37.2
81.03429	3.1
81.07058	43.4
83.04972	3.0
83.08630	8.2
89.06015	1.8
91.05479	24.2
93.07041	42.1
95.04979	5.8
95.08604	33.3
96.08982	1.6
97.06541	6.1
97.10174	4.3
99.08088	14.9
105.04514	1.4
105.07021	20.9
107.04960	5.1
107.08593	20.1
107.32185	1.5
109.06534	2.4
109.10127	9.6
111.08114	3.2
113.09668	1.8
117.07008	5.8
119.08569	15.8
121.10136	15.4
123.08120	1.9
123.11685	3.9
129.07010	3.7
131.08592	12.8
133.10103	10.2
135.11684	12.1
143.08537	4.3
145.10144	12.6
147.11687	8.7
149.13264	9.5
151.11169	8.4
155.08536	2.4
157.10114	2.6
159.11678	6.5
161.13266	9.5
163.11203	2.9
163.14851	5.2
169.10040	1.8
171.11644	3.2
173.13284	5.1
175.14861	3.3
177.16432	1.6
179.14294	21.9
180.14598	1.9
183.11867	2.0
185.13370	2.0
187.14777	1.9
189.12686	1.8
199.14790	3.1
201.16393	2.0
219.17450	3.5
241.19585	4.7
243.21098	6.6
261.22000	9.2
271.70517	1.5
275.19998	2.5
277.21616	23.0
295.22754	4.1
317.24762	4.0
335.25830	21.3
336.26254	2.4
351.25317	19.5
355.15430	7.1
356.16000	4.0
387.17972	3.2
388.18338	2.3
409.16193	100.0
410.16373	10.5
427.17004	2.7
437.34119	2.7
439.35605	2.7
448.49567	1.6
450.18832	4.4
457.36636	2.3
508.48419	1.7
513.39502	8.0
515.37378	4.2
528.25787	1.6
531.40173	6.6
537.43121	2.7
555.44159	2.3
610.19037	1.7
611.46606	40.7
612.46851	5.2
629.35834	12.1
629.47552	20.5
630.47992	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01875	1.5
57.03439	0.5
58.65612	0.4
59.41455	0.3
61.02935	0.5
65.03937	0.6
69.03421	1.3
69.07762	0.8
69.08164	2.6
77.03950	0.4
79.05491	2.3
80.94921	0.4
81.03407	0.6
81.07040	1.4
85.02911	5.5
89.03909	2.7
91.05486	6.6
93.07044	2.4
95.04978	3.7
97.02893	0.9
103.05476	7.8
105.03402	0.8
105.04533	0.6
105.07015	1.4
106.04127	0.7
107.04959	8.3
109.02864	0.6
109.06522	4.6
113.02348	0.4
115.05447	1.0
117.03388	3.3
117.07024	1.1
119.04945	4.0
121.06511	11.0
123.04430	4.7
127.03886	0.4
131.04930	18.1
132.05305	0.5
133.02872	1.6
133.06500	1.9
134.03653	3.1
135.04445	3.6
137.05977	8.6
140.04709	2.9
145.02850	3.5
145.04944	0.9
145.06470	1.2
146.03593	0.4
147.04422	4.6
148.05162	0.9
149.05989	18.3
150.06412	0.5
152.04776	0.5
153.05446	0.6
155.05983	0.8
155.07042	2.1
159.04419	13.2
160.05106	0.8
161.06000	2.8
162.03090	0.5
162.07603	0.9
163.03911	2.8
163.07536	0.4
165.05507	4.9
167.07030	6.4
172.05145	0.5
173.05942	2.1
175.41928	0.4
177.05472	100.0
178.05823	4.2
179.07031	1.2
180.04140	0.5
180.08664	0.9
181.04961	0.5
181.08650	1.1
183.06526	1.0
188.04668	0.5
189.05508	3.2
191.07007	1.6
193.04971	6.8
193.08638	1.2
194.05754	0.5
195.06554	1.1
197.08084	5.5
201.05547	0.9
203.03378	0.6
204.04227	0.4
205.04942	1.3
205.08623	1.1
206.05765	1.0
207.06543	4.2
209.08093	62.9
210.08452	2.0
213.07527	0.9
218.05608	0.7
219.06543	1.5
220.07164	0.4
221.08058	4.6
222.05246	0.5
225.07571	7.6
226.07986	0.6
227.07109	0.5
227.09206	1.6
229.04941	0.9
233.06093	0.6
233.08115	2.4
237.07570	2.1
249.07391	0.8
249.12889	0.4
251.09134	1.0
254.05586	0.3
263.06940	0.4
267.08536	0.4
279.08707	2.8
297.09659	4.7
299.05359	0.9
305.07965	0.5
313.88492	0.4
315.08517	0.4
325.10715	0.8
330.11063	0.6
337.10773	1.9
341.10144	0.5
345.13226	0.5
353.09863	0.5
356.12479	1.5
357.13214	1.3
365.10074	1.3
369.13394	1.0
385.12720	1.2
387.14273	1.0
397.12701	1.6
415.13867	2.6
433.14877	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
53.61496	0.4
55.01872	1.6
57.03443	0.8
61.02919	1.1
62.75376	0.4
65.03940	0.4
69.03439	2.0
69.58671	1.0
69.59059	0.8
71.04978	0.5
73.02927	0.5
73.07100	0.4
77.03954	0.5
79.05496	2.4
79.05896	0.4
81.03423	1.2
81.07059	1.3
85.02907	9.8
87.04470	0.6
89.03914	2.6
91.03966	0.6
91.05477	7.2
93.07056	2.2
94.04179	0.6
95.04974	3.9
96.16391	0.4
97.02877	1.9
97.78512	0.4
103.05473	7.5
105.03410	1.0
105.04505	0.5
105.07018	1.2
107.04951	8.7
109.02914	0.5
109.06525	4.4
113.02315	0.4
115.05470	0.8
117.03387	3.4
117.07032	1.2
119.04948	3.8
119.46066	0.4
121.06510	11.1
123.04452	4.2
127.03921	1.4
131.04927	16.7
133.02852	2.0
133.06494	1.6
134.03638	2.9
135.04430	2.9
137.05988	7.5
140.04677	3.4
140.16905	0.4
145.02859	3.4
145.04953	1.7
145.06448	1.3
146.03586	0.7
147.04436	4.1
148.05202	0.9
149.05986	18.3
150.06265	0.5
155.05969	0.5
155.07062	2.6
159.04422	12.5
159.05728	0.8
160.04970	0.4
161.05920	1.8
162.07698	0.7
163.03899	2.9
163.06035	0.4
165.05498	6.0
167.07066	5.4
172.05138	0.6
173.05980	1.7
177.05473	100.0
178.05850	4.0
179.07068	0.7
180.04114	0.4
180.08669	1.6
181.08740	0.5
183.06520	0.7
184.05412	0.3
189.05461	3.6
191.06943	1.8
193.04976	9.0
193.08633	0.8
194.05559	0.6
195.06563	1.3
197.08105	6.3
201.05453	1.1
205.04932	1.3
205.08649	0.8
206.05733	0.8
207.06531	4.0
209.08093	58.9
210.08463	2.4
213.07584	1.3
217.12395	0.4
219.06442	2.5
221.08055	2.8
225.07552	8.9
226.08147	0.6
227.09099	1.0
229.04912	1.3
233.08037	2.1
235.06140	0.7
237.07552	2.1
247.05855	0.6
249.07552	1.0
251.09201	0.9
253.14333	0.5
261.07529	1.1
275.93427	0.4
277.08569	0.5
279.08740	3.3
297.09698	5.3
303.04904	1.2
304.05225	1.1
309.11111	0.7
325.10715	0.7
330.10776	0.9
337.10754	2.6
341.10220	0.7
342.11359	0.5
345.13263	0.5
353.10077	0.6
355.11578	0.5
356.12601	1.2
357.13211	1.4
365.10150	1.4
369.13193	1.4
383.10944	0.4
385.12766	0.8
387.14365	1.2
397.12860	1.9
403.14072	0.4
415.13882	2.6
433.14664	1.1
467.09579	0.7
468.09955	1.9
559.21088	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.8
53.03940	2.7
55.05513	72.1
56.05851	1.3
69.30960	4.2
83.04982	100.0
84.05316	1.7
85.87908	0.8
89.98331	0.8
93.07052	0.9
98.22624	1.5
105.22948	0.8
156.28616	0.8
165.06955	1.1
179.08516	0.8
182.07179	1.1
193.06538	0.9
195.07903	0.7
210.06818	0.8
221.06067	1.9
223.07526	1.6
225.09206	2.2
229.05029	1.0
235.07542	1.7
239.07030	1.8
240.07729	1.1
250.06299	2.5
251.07024	4.0
251.11006	0.8
253.04837	1.0
253.08684	4.1
257.04462	3.7
263.07141	1.2
264.04135	0.9
265.04999	1.1
265.08591	4.2
266.05746	0.8
267.02957	1.9
267.06473	1.2
268.07147	1.2
270.05408	1.1
271.09863	0.9
278.05859	0.9
279.06494	6.9
280.07068	1.3
281.04788	1.0
281.08133	2.6
282.05283	1.4
283.02417	4.1
283.06128	0.9
283.09641	2.5
284.03137	15.7
285.03671	1.4
293.08142	6.5
294.08801	1.2
295.05988	2.1
296.06781	2.2
297.07544	3.0
298.04709	1.4
299.05518	37.5
299.08728	1.9
300.05933	2.8
307.06015	2.6
308.06396	0.9
309.07532	1.5
310.22073	0.7
311.05679	1.5
311.09015	10.6
312.06180	1.3
312.09570	1.4
313.07056	4.0
321.07587	3.4
322.08170	0.9
325.07086	1.7
327.08609	11.4
328.09354	2.9
329.10193	7.0
339.08621	11.7
340.09219	1.0
341.06561	14.2
341.10477	1.5
342.06839	1.0
343.11813	1.9
353.10153	6.6
363.08694	1.6
369.09735	2.2
371.11139	1.0
381.09616	8.1
382.09949	1.1
389.85388	0.8
399.10709	1.0
411.14294	1.5
413.12399	6.0
518.47522	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	67.2
67.05510	5.7
69.07067	23.6
69.07489	15.6
81.07065	7.1
83.04984	94.8
83.35708	4.4
85.06544	67.9
88.07632	4.4
88.38122	4.6
103.02703	3.7
103.03462	4.8
104.14236	3.6
193.05008	4.9
194.07234	5.3
213.11159	28.3
226.06265	4.8
235.07761	5.9
237.05589	6.2
240.04163	46.9
243.02885	10.5
250.06305	5.9
251.06967	7.4
252.07913	6.1
253.04938	5.2
254.05748	7.2
255.06554	5.7
257.04565	8.6
263.07217	4.8
264.07672	4.7
265.08618	15.4
266.05750	6.0
267.06583	9.1
267.10040	5.4
268.03690	8.7
269.04514	5.7
271.06097	10.3
279.06570	12.0
279.10025	5.0
280.07315	6.7
281.08063	6.8
286.04663	43.0
287.05197	5.5
291.06491	5.3
292.07202	9.0
293.08054	25.5
294.08826	7.5
295.06079	7.3
295.09396	7.4
297.04312	5.3
297.07678	10.9
299.05518	13.6
300.06229	9.6
301.07098	68.4
306.08643	7.2
307.09607	5.8
309.07645	8.9
311.09119	10.2
312.06311	11.2
313.07120	8.0
314.07898	11.3
315.08624	19.0
321.07465	20.3
322.08261	8.4
323.05579	7.5
323.09045	32.1
325.10843	9.8
326.07629	6.2
327.08539	61.7
328.09335	11.0
329.10385	5.9
335.09103	10.4
337.10699	7.8
338.07730	7.8
339.08548	13.0
340.09375	4.8
341.10245	8.8
351.08746	7.7
353.10281	28.0
355.11746	23.0
357.09351	6.4
365.10199	9.0
367.11966	4.8
369.13333	10.1
370.10266	7.8
371.11267	13.6
383.11176	60.0
385.08917	4.1
385.12827	100.0
386.13150	8.6
397.12555	7.2
398.13770	7.5
401.12219	7.0
411.14380	20.7
423.14221	14.5
437.15863	7.6
439.17313	9.3
455.16885	5.5
455.57776	4.2
467.16888	45.7
476.19852	4.8
485.17776	32.1
513.17194	8.2
545.17542	10.2
630.32794	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11728	0.9
52.51530	0.8
53.03948	3.2
55.05513	79.5
56.05845	1.6
60.79757	0.9
65.03951	1.3
67.05498	2.0
69.03424	4.2
69.07082	1.0
71.05027	0.8
71.30754	1.3
74.09692	0.8
79.05500	6.5
81.07060	25.8
83.04983	100.0
84.05327	1.8
91.05482	5.9
93.07073	2.6
95.04977	3.5
95.08608	4.9
97.02909	4.0
105.07030	2.8
107.08609	1.6
109.06518	15.8
109.10117	0.9
116.54579	0.9
117.07037	2.9
119.04942	1.2
119.08605	3.8
121.06517	2.6
123.04433	1.1
123.08059	8.2
125.09598	1.0
128.06226	1.3
129.07025	3.6
131.08542	4.3
135.04492	1.1
135.08054	2.0
137.05977	41.6
138.06342	0.9
141.07001	2.4
142.07765	1.0
143.04976	0.8
143.08614	2.8
145.06511	4.6
145.10127	2.7
145.75955	0.8
147.04407	1.0
147.08058	6.1
147.11807	0.8
149.02318	1.7
149.05995	1.5
149.09581	1.0
151.07578	2.1
153.06992	1.1
154.07672	0.9
155.07381	1.0
155.08519	4.8
156.02431	0.9
156.09370	1.0
157.06505	3.5
157.10153	3.1
159.08084	5.1
161.06009	2.9
163.07596	1.0
165.07060	2.0
167.08563	2.4
169.06537	1.6
169.08789	1.0
169.10162	3.3
171.08040	4.4
171.11676	1.1
172.08821	1.0
173.05965	1.5
173.09650	3.6
175.07582	3.8
175.11180	1.1
177.09120	1.4
178.07825	1.6
179.08627	2.0
181.06538	1.1
181.10162	2.1
182.07240	1.6
183.08127	2.4
183.11703	1.4
185.06004	2.7
185.09631	3.6
187.07460	2.1
189.09079	1.6
191.08569	1.3
192.09340	1.5
193.04846	1.0
193.08586	1.7
193.10190	2.7
195.08057	4.0
195.11566	2.0
196.08888	1.7
197.06000	1.0
197.09612	4.8
198.10075	0.8
199.07571	3.2
199.11115	1.2
201.09155	2.1
202.07768	0.9
203.07050	1.5
203.08794	1.2
205.10205	2.4
207.08078	1.8
207.11687	1.8
208.08852	1.3
209.09641	4.8
209.13278	1.2
210.10365	1.0
211.07510	2.5
211.11203	4.2
213.09123	3.6
215.10692	3.0
217.08484	1.6
217.10258	1.3
219.08128	1.8
219.09995	1.2
219.11801	1.2
220.08830	1.4
221.09676	3.7
223.07622	1.4
223.11165	3.3
224.08313	1.1
225.09151	2.1
225.12807	1.4
227.10640	1.7
229.08438	1.4
231.11795	1.2
233.09610	3.1
234.10428	2.5
235.07578	1.5
235.11267	2.9
235.14822	1.3
237.09129	3.8
237.12720	2.2
239.10681	2.6
247.11354	2.5
248.12044	1.6
249.09171	3.6
249.12645	2.6
251.10733	4.8
252.11444	2.5
253.08615	1.4
253.12181	2.2
257.11783	3.2
260.12054	1.2
261.09195	2.6
261.12848	1.5
262.09937	2.3
263.10822	3.0
263.14270	4.3
265.12381	1.8
265.15735	1.5
267.10168	0.9
267.13806	1.3
269.11798	1.5
273.12790	2.9
275.10410	1.0
277.12369	2.1
279.10245	2.1
279.13815	1.8
280.10883	3.0
281.11752	2.8
281.15048	1.9
285.11267	1.5
289.12289	2.7
291.11050	0.9
291.13855	5.3
292.14285	1.3
293.11862	2.0
293.15164	1.4
295.13452	1.3
296.14185	2.1
297.11237	0.9
297.14758	0.9
301.12280	2.4
303.13803	1.1
307.13263	4.5
309.14966	3.8
311.16360	1.7
319.13303	3.5
323.13049	1.2
323.16541	3.3
325.14514	1.4
337.14377	5.7
338.14920	1.4
339.12561	1.1
340.13126	3.5
341.13794	3.5
349.14258	2.1
351.15891	1.5
355.15363	2.9
367.15308	9.3
369.17059	3.0
371.16351	2.4
375.15979	1.0
379.15234	2.1
385.16351	2.9
389.17529	4.7
391.19098	2.7
393.16898	2.7
397.16486	11.8
398.17154	1.9
399.16098	2.4
405.20627	1.0
407.18542	6.5
409.20203	1.3
415.18301	1.8
417.16983	15.3
418.17236	2.2
419.15308	1.1
425.19638	1.6
431.18539	1.8
433.20212	3.0
435.18045	57.8
436.18243	6.5
437.15878	1.4
441.16855	1.3
449.19391	2.7
451.21201	8.4
453.19086	39.1
454.19556	3.7
459.18005	3.8
463.94284	1.0
467.20801	2.3
471.20212	8.9
472.20355	1.4
477.19073	20.6
478.19513	2.0
495.20132	39.6
496.20380	4.5
513.21246	12.9
514.22009	1.9
577.23834	1.3
595.25134	6.6
596.25970	1.2
630.33246	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55848	0.7
53.03940	3.5
55.05515	93.7
56.05843	1.0
56.79763	0.8
57.07075	1.6
67.05494	2.9
68.99798	0.8
69.03422	4.1
69.07051	1.5
69.19808	4.0
69.20216	1.9
70.06596	3.7
79.05499	8.8
81.03423	1.2
81.07059	44.7
83.04984	100.0
84.05322	2.2
88.07634	3.8
91.05470	7.1
93.07073	3.9
93.07558	0.9
95.04948	4.8
95.08608	5.5
97.02904	4.8
97.06541	1.5
98.23326	1.7
99.04459	1.9
102.09171	1.7
103.05466	1.6
105.07033	5.5
107.04954	1.9
107.08596	2.6
109.06523	29.8
110.06796	0.7
111.04418	1.3
111.08087	1.0
115.05520	0.9
117.07015	2.6
119.04908	1.8
119.08572	4.2
121.06481	3.6
121.10118	1.1
123.08082	9.6
125.06028	1.1
125.09665	1.2
128.06210	1.4
129.07007	3.8
131.04915	1.3
131.08563	4.3
133.06497	1.8
133.10147	1.2
135.04417	0.9
135.08072	1.9
137.05981	62.6
137.09590	1.4
138.06332	2.3
139.07516	1.4
141.07011	2.4
142.07848	1.2
143.08565	5.3
145.06471	4.6
145.10132	2.4
147.08083	5.7
149.02342	6.2
149.06003	1.9
151.07565	2.0
153.06973	1.8
155.07368	0.9
155.08548	4.9
155.09647	0.8
156.09218	0.8
157.06490	3.2
157.10129	2.5
159.08089	6.0
161.05969	2.1
161.09619	1.2
163.07544	1.6
165.05710	0.9
165.07048	2.7
165.09131	0.9
166.07782	2.1
167.08549	3.2
169.06490	2.2
169.10124	3.7
170.07280	0.9
171.08008	5.6
172.08789	1.0
173.06047	1.4
173.09595	3.7
175.07552	3.5
177.05574	1.1
177.09192	1.5
178.07777	2.8
179.08534	4.6
180.09329	1.1
181.06500	2.0
181.08673	1.2
181.10133	3.5
182.07236	1.8
183.08092	3.2
183.11693	2.1
185.06061	3.6
185.09621	4.3
187.07561	2.5
187.11205	1.8
189.09067	1.8
191.06947	1.3
191.08595	2.3
192.09273	1.3
193.04987	7.6
193.06523	1.1
193.08621	1.8
193.10146	4.8
194.07248	0.8
194.10864	1.2
195.08057	5.6
195.11723	2.0
196.08778	1.8
197.05971	2.4
197.09631	5.2
198.06766	1.1
198.10167	0.9
199.07576	4.8
199.11147	1.4
200.08353	1.2
201.09090	2.9
202.07799	0.8
203.06955	1.5
203.08641	1.3
204.09337	1.6
205.10242	4.1
206.10968	1.9
207.08080	2.5
207.11697	2.4
208.08890	1.4
209.09624	6.7
209.13078	1.0
210.10190	1.4
211.07552	3.0
211.11156	3.8
213.09146	7.0
213.12675	0.9
215.08772	1.4
215.10696	3.1
216.09358	1.1
217.08585	2.5
217.10472	1.4
219.08099	2.5
219.11725	1.9
220.08884	1.2
220.12408	0.9
221.09636	4.3
221.13252	2.3
222.06702	0.8
222.10294	1.0
223.07535	2.4
223.11107	4.8
224.11983	1.9
225.09122	2.1
225.12711	2.1
227.10686	1.9
228.23219	9.1
230.10854	2.0
231.11829	0.9
232.08893	1.7
232.12511	1.0
233.09674	5.1
233.13348	1.3
234.10408	2.7
235.07593	1.6
235.11276	4.1
235.14819	2.3
236.08269	1.1
236.11995	1.5
237.09352	4.2
237.12791	3.5
238.09807	1.2
239.10637	4.1
239.14258	1.7
241.08524	1.5
245.13239	2.9
246.10410	2.4
247.11246	3.2
247.14937	0.9
248.11980	2.2
249.09065	3.7
249.12782	3.0
250.09851	1.1
251.10760	5.5
251.14372	0.9
252.11383	3.2
253.08545	1.5
253.12305	3.9
253.15930	1.1
255.10109	1.8
257.11774	2.2
258.10452	1.3
259.11353	1.4
260.08133	0.9
261.09039	3.1
261.12686	2.8
262.09875	3.7
262.13177	1.1
263.10831	4.7
263.14346	3.7
265.08777	1.2
265.12305	4.0
265.15610	1.5
267.10269	1.9
267.13745	2.2
269.11884	1.4
272.11972	1.0
273.12891	4.1
274.13513	1.0
275.10611	2.5
275.14301	1.3
276.11340	1.5
277.12244	3.8
279.10184	2.9
279.13748	3.1
280.10947	4.8
280.14130	1.1
281.11911	3.6
281.15149	3.9
283.09299	0.8
283.13696	1.3
283.16904	1.4
287.10703	1.6
289.12164	2.7
290.12787	1.1
291.13831	7.7
292.14389	1.3
293.12045	1.5
293.15182	1.6
295.13306	1.3
296.14081	2.6
297.11191	2.0
297.14938	1.0
298.56458	0.8
301.12460	3.6
302.12897	1.6
305.11826	2.6
305.15201	1.4
307.13412	3.8
307.16486	1.1
309.11469	1.7
309.14856	7.7
311.13004	1.0
311.16434	1.6
319.13315	5.7
320.13855	1.0
321.11194	1.0
321.14749	1.1
322.12003	1.6
323.12735	2.0
323.16406	2.4
325.14417	1.1
333.14923	2.1
335.16446	1.5
337.14380	10.4
338.14822	1.6
340.12979	3.3
341.06512	1.5
341.13812	1.7
343.16965	1.4
349.14215	1.3
350.84427	0.9
351.15887	2.2
353.17490	3.2
355.15378	3.4
357.14780	0.8
359.07639	1.1
361.14157	1.7
361.18115	1.3
367.15463	5.1
368.15945	1.1
369.16885	4.8
371.16324	4.6
375.15994	1.3
379.15265	5.8
379.19305	1.0
385.09113	2.4
389.17435	7.4
391.19043	2.3
393.16852	3.1
397.16422	16.0
398.17047	4.1
399.15915	4.6
403.18759	0.8
405.20755	1.2
407.18506	8.3
409.20261	1.8
411.17825	1.2
413.17599	1.1
415.17960	2.5
417.16989	22.8
418.17310	2.7
419.14481	1.6
425.19412	1.8
429.11658	5.4
431.18652	2.0
433.20142	4.5
435.18042	79.6
436.18338	9.1
437.15768	2.3
449.19748	3.7
451.21265	10.4
452.20959	1.2
453.19098	45.7
454.19409	3.8
459.18018	4.9
467.20740	5.4
469.22382	2.1
471.19937	7.5
472.19925	0.9
477.19049	22.5
478.19138	2.1
495.20154	43.9
496.20416	4.9
497.21683	1.1
513.14063	1.2
513.21210	14.2
514.21637	1.5
535.23169	4.5
551.25940	0.9
577.23914	2.2
595.25360	9.6
596.25397	1.7
630.32483	14.3
631.32843	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01865	0.7
55.05513	43.3
56.05858	1.0
57.53305	0.5
67.05515	0.8
69.03439	4.7
69.23552	2.9
69.23952	1.3
69.85704	0.5
73.90627	0.4
74.68966	0.4
79.05496	11.6
81.03369	0.5
81.07059	74.6
82.07394	1.3
83.04982	42.4
84.05307	1.0
91.05459	2.9
93.07035	1.4
95.04963	1.0
95.08611	1.2
97.06506	1.0
98.23347	1.2
105.07034	1.3
107.08540	0.6
109.06519	24.0
119.04914	0.6
119.08600	1.3
121.06506	1.0
123.08082	3.3
129.06987	0.8
130.15959	0.8
131.08543	1.5
133.06522	0.6
135.08034	1.0
137.05977	100.0
138.05316	0.5
138.06317	3.3
139.07550	0.6
141.06996	0.6
143.08560	0.9
145.06494	0.9
145.10124	0.8
147.08025	2.2
149.02356	0.8
151.07545	1.0
155.08545	1.7
157.06534	0.8
159.08051	1.8
161.05943	0.6
161.09546	0.7
165.06990	0.7
166.07837	0.6
167.08582	1.0
169.06441	0.7
169.10092	1.3
171.07993	0.9
173.09595	1.2
175.07553	2.7
177.09058	0.7
178.07837	0.6
179.07114	1.0
179.08543	1.1
181.06410	0.9
181.10107	1.6
183.08011	1.0
183.11690	1.0
185.09563	1.1
187.07573	2.4
189.09109	0.8
191.08638	0.9
192.09360	0.8
193.10150	1.4
193.13763	0.6
194.10759	0.6
195.08000	1.5
197.05949	0.6
197.09634	1.0
199.07559	1.0
201.09160	0.9
203.06909	0.7
203.08649	0.6
205.10139	0.9
206.10822	1.3
207.08066	1.0
207.11679	0.7
209.09654	2.5
210.10373	1.0
211.07465	0.7
211.11172	2.1
213.09096	1.7
215.10643	0.9
217.08429	0.7
217.10271	0.6
219.08209	0.9
220.08722	0.6
221.09657	2.6
223.07500	0.8
223.11125	1.6
224.08269	0.5
224.11938	1.7
225.12677	1.1
227.10733	0.6
228.11472	0.7
229.08546	0.7
229.12120	1.2
233.09668	1.2
234.10321	1.9
235.07516	0.8
235.11172	2.1
236.11841	0.8
237.09065	2.7
237.12804	0.8
239.10783	2.8
247.07533	0.6
247.11140	0.7
251.10660	2.0
251.14217	1.0
252.11461	4.1
253.12193	2.8
254.12984	1.1
257.11731	1.2
261.09091	0.7
261.12750	0.9
262.09772	3.3
263.10620	1.0
263.14505	0.6
264.11279	0.7
265.08572	1.2
279.10095	1.7
279.13763	2.9
280.10974	3.7
281.11624	4.2
281.15018	1.0
289.11932	1.2
294.12518	0.5
296.13928	0.7
297.11328	0.6
297.14822	1.9
298.12076	1.0
299.12653	0.9
303.13721	0.6
307.09949	0.6
307.13153	3.2
312.13901	0.7
315.08667	0.7
323.16483	0.9
325.14285	9.3
340.12851	1.1
341.13800	1.0
341.17441	0.7
343.15585	1.6
347.16406	0.9
349.14359	1.3
361.18054	0.9
367.15182	2.0
371.16360	3.0
375.15942	1.2
385.16565	3.6
389.17401	5.5
391.19412	2.9
393.16907	4.2
394.17395	0.5
399.15689	1.9
405.20419	1.1
407.18454	2.6
411.18015	1.2
413.17477	0.7
415.18884	0.7
417.16971	21.6
418.17218	1.8
431.18414	1.5
433.20398	2.5
435.18042	59.7
436.18436	6.3
441.16382	0.6
449.19641	3.8
451.21213	2.7
453.19104	15.3
454.19342	1.6
459.18106	3.9
471.20111	10.1
472.20224	0.9
477.12732	0.7
477.19055	8.4
478.19312	1.3
485.21939	3.2
495.20184	5.2
496.19977	0.6
513.20612	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.0
60.39925	1.0
69.62524	0.9
71.31573	1.4
74.92668	1.0
75.14468	1.0
77.96013	0.9
81.07034	0.9
83.04984	4.6
83.57880	0.9
89.48660	0.9
92.18089	1.0
101.71628	1.0
165.07007	1.4
177.07056	1.0
178.07838	0.9
179.08592	1.8
183.08069	1.2
189.06966	1.5
191.08597	2.0
194.07295	4.4
195.08041	1.7
197.06004	1.2
205.06471	3.9
206.07240	1.6
207.08069	3.3
209.06097	1.3
209.09700	3.2
210.06633	1.8
211.07584	2.9
219.08189	1.8
221.06000	2.6
222.06749	7.1
223.07457	2.4
224.08333	3.7
225.05576	2.3
225.08961	2.1
226.06219	1.5
227.10608	1.0
232.05240	1.3
233.06023	3.2
234.06779	3.3
235.07552	6.8
236.08235	2.9
237.05472	3.3
237.09071	9.1
238.06277	2.6
238.09828	1.1
239.07104	3.5
239.10620	3.6
240.07793	2.9
241.08636	3.1
247.07573	2.0
248.08266	1.4
249.05447	2.3
249.09259	1.4
250.06241	8.9
251.06987	5.8
252.07788	9.4
253.04898	1.6
253.08583	4.4
254.05830	5.3
254.09329	2.0
255.06348	1.5
255.10364	1.7
256.07355	1.2
257.04425	1.6
261.05472	2.0
263.06989	6.5
264.07822	4.4
265.05029	2.9
265.08612	18.1
266.05859	2.0
266.09256	5.7
267.06537	6.7
267.10150	14.0
268.07260	4.9
268.10501	1.7
269.08017	4.0
271.06064	3.2
275.07089	1.7
277.08359	1.3
278.05795	2.3
279.06546	4.1
279.09598	1.1
280.07266	5.5
281.08035	7.5
281.11008	1.4
282.05347	2.0
282.08878	2.9
283.05994	1.2
284.06717	2.8
284.09991	1.3
285.07385	2.3
291.06421	5.2
292.07278	3.3
293.04813	1.3
293.08075	26.4
294.08820	6.1
295.06143	2.8
295.09616	26.2
295.12967	1.7
296.06702	3.4
296.10135	4.3
297.07611	6.0
297.11230	3.4
298.08224	1.5
299.05969	1.4
299.09177	4.8
299.12399	1.0
300.06335	3.8
300.09442	1.4
306.08862	1.5
307.05966	1.3
307.09543	1.3
308.06790	3.3
309.07538	4.4
309.10986	1.5
310.08383	7.1
311.09210	6.0
312.09918	2.5
313.07047	2.1
313.10446	1.8
314.07895	2.8
315.08646	12.1
316.08917	1.1
323.09174	6.8
324.09894	3.6
325.07190	2.2
325.10669	33.8
326.11386	3.2
327.08609	11.1
327.12286	6.7
328.09464	4.5
329.10172	12.0
330.10605	1.3
335.09213	1.6
337.10733	2.4
339.08701	1.4
339.12424	2.2
340.09464	4.2
341.10147	5.4
342.10959	25.5
343.11591	2.8
345.13211	1.7
352.09378	1.1
355.11743	100.0
356.12299	10.0
357.13309	61.3
357.17801	2.2
358.13779	5.2
359.11014	1.5
367.11688	4.2
369.13242	2.2
381.13403	6.7
399.14349	19.9
400.14548	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36634	1.1
55.05509	5.7
69.33624	5.1
69.34042	2.3
77.97003	1.0
83.04989	8.7
94.54527	1.0
98.23339	1.3
100.79569	1.0
120.49993	1.2
127.36688	1.2
214.19070	1.3
223.07590	2.3
233.06050	1.3
234.06786	2.9
235.07672	3.0
236.08281	1.6
237.09122	2.9
239.06943	1.6
239.10695	1.6
240.07690	1.3
241.08632	1.5
249.09111	6.9
250.06343	1.3
250.09659	1.5
251.07005	3.1
252.07806	3.1
253.08620	2.7
254.05650	1.3
255.06558	2.0
263.07074	3.1
264.07800	2.2
265.08633	6.9
266.05817	1.3
266.09335	1.8
267.06686	2.3
267.10156	4.5
268.07324	2.9
269.07904	1.2
271.06116	2.1
275.06979	1.2
277.05981	1.4
277.08530	7.3
278.09357	1.9
279.06491	3.2
279.10172	3.6
280.07361	3.3
280.10822	2.2
281.04712	1.4
281.08047	5.2
281.11639	2.5
282.08902	1.7
282.12555	2.8
283.09531	3.4
284.03302	1.9
284.06552	1.4
285.07571	1.5
291.06461	2.2
292.07269	3.6
293.08041	9.5
294.08804	3.5
295.09650	10.2
296.06833	3.9
297.07840	1.0
297.11270	4.4
298.08560	2.4
298.11868	1.7
299.05557	4.4
299.09195	2.5
306.08856	1.9
307.06268	1.6
307.09610	20.2
308.06931	2.5
308.10410	4.9
309.07635	5.0
309.11310	4.9
310.08560	2.4
310.11978	3.0
311.05740	1.3
311.09109	6.6
312.09842	1.5
313.07266	2.2
313.10641	3.0
313.14340	1.2
314.07813	3.6
322.08502	2.9
323.05865	1.4
323.09109	7.6
324.09845	4.0
325.06995	2.2
325.10632	14.5
325.14105	1.6
326.11365	3.7
327.08640	1.8
328.09323	1.3
329.10178	16.5
330.10828	1.3
335.09058	1.7
337.10727	2.8
338.11496	22.5
339.08600	3.4
339.12216	6.3
340.08978	2.1
340.12997	30.3
341.10129	5.2
341.13846	7.9
342.10837	4.7
343.11758	9.1
353.10089	2.1
354.10934	6.0
355.11536	2.3
356.12515	13.4
357.13153	2.0
367.11731	2.1
369.13330	100.0
370.13565	9.6
371.14890	56.1
372.15131	4.9
381.13449	1.7
382.14111	5.2
383.14932	2.2
385.16150	1.1
413.15836	10.1
414.16412	1.2
418.81964	1.2
430.92426	1.2
468.70337	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	0.7
62.21391	0.5
63.34860	0.6
67.05463	1.7
69.07025	0.7
69.38443	1.1
69.38847	2.9
74.89748	0.6
79.05463	1.2
81.07001	1.7
84.90335	0.7
93.07012	0.7
95.08608	1.1
98.22662	0.9
98.23203	1.1
100.37939	0.7
105.07018	0.8
107.08566	0.8
121.10095	0.8
145.10126	1.0
190.95500	0.6
191.08514	0.6
197.09528	0.6
201.09097	1.2
201.85561	0.6
202.09901	1.5
209.09570	1.3
211.07541	1.1
212.49352	0.6
219.08147	0.8
220.08849	1.9
220.16782	1.1
221.09593	1.5
222.06641	0.7
225.09021	0.7
226.06363	0.9
227.07083	0.6
231.07971	0.8
233.09631	0.9
234.10376	1.1
235.07594	0.8
235.11169	1.6
237.09062	3.7
238.06268	1.1
238.09731	1.0
239.06927	0.8
243.06581	0.8
247.07547	0.9
248.08409	2.9
249.09122	5.6
250.06186	0.8
250.09842	1.6
251.07198	0.8
251.10588	1.9
252.11453	3.5
253.08609	2.0
253.12195	1.1
254.09430	0.8
256.07214	1.9
257.08163	0.7
258.08884	0.9
261.09109	1.0
262.09818	1.2
263.10678	6.6
264.07773	0.7
264.11255	2.0
265.08575	9.2
265.11853	1.3
266.09247	1.7
266.12894	1.1
267.06598	1.0
267.10236	1.5
267.13745	2.1
269.11771	1.8
271.09653	1.8
275.07065	0.6
276.07947	1.1
277.08600	5.3
277.12369	1.2
278.09256	1.3
279.10046	2.6
280.10928	10.4
281.08441	1.1
281.11566	4.5
282.08954	1.4
284.06799	2.4
285.07526	1.5
286.08307	1.0
290.09402	0.7
291.10187	4.2
292.10840	2.4
293.08060	4.7
293.11584	1.6
294.08896	0.9
294.12338	1.6
295.09891	1.3
295.13245	11.9
296.13770	2.1
297.11215	2.3
299.09116	3.5
306.12527	3.6
307.09534	1.4
308.10428	4.8
309.11176	8.2
310.11838	1.0
311.09332	0.7
312.13547	2.0
322.12039	0.9
323.12759	10.2
324.13522	6.9
325.10736	3.0
325.14264	1.7
327.16003	1.6
340.13153	4.2
341.13712	1.9
355.15396	100.0
356.15866	13.8
387.18045	10.0
388.18073	0.6
630.27637	24.6
631.27960	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38541	0.2
57.93160	0.3
59.05000	0.3
67.05482	0.6
69.11686	1.9
69.12094	0.6
75.78373	0.2
79.05481	0.5
81.07059	0.6
93.07052	0.3
95.08597	0.5
97.06516	0.3
105.07011	0.3
109.10159	0.3
116.79902	0.3
119.08561	0.6
120.86134	0.3
121.10201	0.3
125.05970	0.3
145.10123	0.3
169.31781	0.2
192.09352	0.3
193.10065	0.3
195.08231	0.4
199.09410	0.3
201.09119	1.0
202.09821	1.4
203.35924	0.3
205.08640	0.3
209.09639	0.9
210.06740	0.7
211.07579	0.8
212.08276	0.3
213.05449	0.5
219.08029	0.6
220.08864	1.4
221.09613	0.6
222.06772	0.3
223.07608	0.5
224.08311	0.3
225.09070	0.6
226.06242	0.6
227.07001	0.4
233.09576	0.7
234.06898	0.3
234.10408	0.5
235.07484	0.6
235.11134	2.0
236.08476	0.3
236.12015	0.6
237.09164	1.7
238.06297	0.6
238.09915	0.7
239.07040	0.8
239.10628	0.5
240.07820	0.7
241.04990	0.6
243.06438	0.3
247.07564	1.2
248.08313	2.0
249.09134	3.6
250.09741	0.4
251.07004	0.5
251.10539	1.4
252.07750	0.4
252.11491	1.8
253.08560	0.8
253.12248	0.4
254.09412	1.0
255.10097	0.4
256.07343	1.0
257.08087	0.5
261.09183	0.7
262.09833	0.6
263.07516	0.5
263.10651	6.0
264.07617	0.3
264.11441	1.9
265.08582	6.2
265.11829	0.5
266.09225	1.2
267.06500	0.4
267.10135	0.4
267.13782	1.6
269.11792	0.4
270.09000	0.3
271.09720	0.9
272.06659	0.3
276.07806	0.3
277.08630	5.7
278.09326	1.1
279.07040	0.5
279.09985	1.9
280.10956	7.1
281.08435	0.6
281.11594	2.7
282.08978	1.5
282.11905	0.3
284.06870	0.8
285.07544	0.7
285.11078	0.6
286.08041	0.3
287.09140	0.7
291.10095	1.3
292.10773	1.3
293.08063	2.9
293.11703	1.7
294.08875	1.3
294.12460	0.7
295.09940	0.6
295.13257	8.3
296.13763	1.4
297.11237	2.2
298.11765	0.4
299.09058	1.5
307.09723	0.7
308.10464	2.0
309.11194	6.3
310.11713	0.4
311.09378	0.3
312.13556	0.7
313.10782	0.5
318.10916	0.4
323.12769	8.1
324.13538	7.7
325.10706	2.6
325.14313	1.9
327.15942	1.2
331.11783	0.5
340.13071	3.2
341.13620	0.9
345.13461	0.6
355.15399	100.0
356.15936	13.4
357.16776	0.6
372.15829	0.5
387.18024	11.6
387.23053	0.6
388.18265	1.1
403.46292	0.3
411.17886	0.3
426.01538	0.2
489.97058	0.3
631.32550	0.5
631.41779	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49939	0.6
55.05514	1.2
55.67887	0.7
64.79236	0.8
67.05501	3.0
69.07060	1.4
75.90531	0.8
79.05487	2.1
81.07047	2.8
88.31488	0.6
91.05486	1.8
93.07028	1.6
95.08603	2.4
98.23399	1.9
105.07031	1.7
107.08584	1.5
109.10133	0.9
119.08608	0.9
121.10122	0.8
131.08549	1.1
135.11731	0.9
157.10127	1.2
159.08044	1.2
159.11725	0.7
167.15010	0.7
180.87402	0.7
207.11609	1.1
209.09543	1.3
211.07443	1.2
212.43594	0.7
217.71675	0.8
220.08890	1.2
221.09654	1.4
223.07635	1.1
224.08450	1.0
225.09087	1.0
227.07080	1.5
233.09625	1.0
235.11209	2.1
237.05449	1.2
237.09129	2.5
238.06091	1.0
239.07004	2.0
241.04967	1.2
242.05765	1.4
247.07620	1.4
248.08275	2.0
249.09108	2.9
250.09882	1.1
251.07068	1.8
251.10631	2.3
252.04112	1.1
252.11421	1.0
253.08572	3.3
253.12285	2.3
254.09291	1.3
255.10164	1.0
256.07327	2.9
257.08112	2.2
262.09882	1.2
263.07468	0.8
263.10596	3.7
264.08020	0.9
264.11526	1.6
265.08609	5.9
265.12213	2.6
266.05777	2.5
266.09213	4.0
267.06519	4.5
267.10010	2.2
267.13870	1.2
268.07220	0.9
269.04391	1.6
269.08389	0.7
269.11710	1.2
271.09845	1.0
276.07904	1.1
277.08606	3.3
277.12231	1.2
278.09366	1.3
279.06860	0.9
279.10123	3.9
280.07846	1.1
280.10751	3.9
281.08078	2.6
281.11713	8.7
282.08823	1.3
283.06134	0.8
283.09705	1.0
284.06821	6.6
285.07584	11.1
285.10873	1.2
287.09088	1.1
291.10178	3.1
292.10812	1.7
293.08105	2.7
293.11740	5.3
294.08932	1.9
294.12460	2.4
295.09702	2.2
295.13290	7.2
296.10458	0.7
296.13876	1.0
297.07782	1.2
297.11215	4.2
297.14420	1.0
298.08224	1.0
298.11829	1.5
299.09164	8.2
300.09995	5.2
302.07736	1.1
306.12637	1.2
307.09659	2.4
308.10397	5.0
309.11185	11.7
310.11942	2.7
311.09192	1.3
311.12720	0.8
312.13446	1.5
313.10672	1.6
313.14023	1.3
314.11542	9.8
317.10263	1.2
322.11899	4.4
323.12772	9.8
324.13565	4.6
325.10669	4.5
325.14355	6.7
326.11462	2.2
326.14972	0.9
327.15933	3.1
335.25812	2.2
340.13049	9.2
341.13840	27.1
342.14093	2.0
355.15408	66.4
356.16156	84.6
357.16571	6.0
359.18500	4.0
372.15546	1.1
385.57498	0.8
387.18021	100.0
388.18265	7.9
468.83298	0.8
612.46918	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	2.1
69.07070	1.4
69.07432	0.4
69.13495	4.4
79.05487	0.6
81.07050	1.2
89.06080	0.6
91.05489	1.0
93.07051	1.0
95.08609	1.6
107.08574	0.8
109.10144	0.8
119.08585	0.9
121.10101	0.6
127.74602	0.4
131.08524	0.6
133.10135	0.9
135.11665	0.7
145.10107	0.6
147.21271	0.5
159.11633	0.6
163.53700	0.5
165.06952	0.5
181.06355	0.5
192.09479	0.6
201.09076	1.2
202.09860	1.6
209.09625	0.9
210.06844	0.8
211.07629	0.5
220.08818	1.5
221.09648	0.7
223.07558	0.7
225.09175	0.5
226.06386	0.6
235.11131	2.5
236.11813	0.6
237.09111	2.4
238.06367	0.5
238.09859	0.7
239.06985	0.7
239.10835	0.7
240.07932	0.5
241.05016	0.8
247.07321	0.6
248.08321	1.8
249.09177	3.3
250.10010	0.7
251.07269	0.6
251.10683	1.4
252.11433	1.9
253.08595	0.8
253.12344	0.7
254.09322	1.0
256.07443	1.3
257.08109	0.6
260.48380	0.5
261.09146	1.1
262.09988	0.7
263.07797	0.7
263.10632	5.3
264.11502	2.4
265.08630	5.6
265.12027	0.8
266.09369	1.6
266.12589	0.6
267.10181	0.8
267.13770	1.5
271.09668	1.8
277.08575	7.1
277.11639	0.8
278.09427	1.2
279.10193	2.4
280.10931	8.3
281.11533	2.8
282.08841	1.8
284.06863	0.7
285.07513	1.2
285.11066	0.5
287.09125	0.7
291.10074	1.2
292.10861	1.8
293.08084	2.3
293.11728	1.8
294.08911	2.0
294.12506	1.5
295.09985	0.8
295.13260	8.9
296.13864	1.3
297.11166	2.2
299.09076	2.7
307.09729	0.9
308.10364	2.7
309.11197	7.6
310.11731	1.4
312.13492	1.1
313.10779	0.9
317.10065	0.6
318.10776	0.7
323.12756	8.0
324.13531	9.1
325.10721	3.0
325.14249	1.6
327.15799	1.1
340.13068	3.8
341.13593	1.2
355.15405	100.0
356.15939	14.2
357.16501	1.0
387.18033	13.1
387.22910	0.7
388.18365	1.5
411.17752	1.8
428.84869	0.6
470.74622	0.6
630.34113	0.8
630.48541	0.8
631.35931	3.0
631.48889	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43844	2.7
51.48142	2.8
53.03931	3.3
55.05508	9.4
57.07066	3.9
67.05505	17.2
69.07073	6.6
70.67797	3.2
71.08638	5.2
79.05505	14.1
80.05824	3.0
81.07058	19.9
83.04962	4.1
83.08641	5.4
89.06052	6.5
91.05468	14.1
93.07059	12.5
95.04940	3.7
95.08620	14.9
96.08965	3.4
99.08089	4.7
105.07035	12.8
107.08583	11.3
109.10172	6.8
117.07006	5.0
119.08600	9.5
121.10147	9.4
122.10530	3.9
126.91404	3.4
129.06912	3.1
131.08591	5.5
133.10161	6.0
143.08591	5.6
145.10104	6.1
161.13272	3.4
187.14922	3.2
202.09805	4.3
203.52509	3.1
221.09576	3.5
237.09151	3.7
249.09087	4.0
253.08510	4.7
253.12186	3.6
256.07309	3.9
263.10645	9.3
265.08582	9.0
265.91342	3.1
277.08609	8.6
280.10886	6.3
281.11658	3.3
282.08633	3.4
284.06619	3.3
292.10754	3.2
293.08127	5.1
295.13211	11.6
296.14047	3.4
309.11212	12.5
323.12833	13.8
324.13593	8.4
325.14359	4.4
335.25766	2.9
340.12680	5.0
341.13770	2.9
345.13297	3.0
347.12878	2.8
355.15424	100.0
356.16034	22.0
358.30823	3.0
387.18100	28.1
409.16232	4.1
494.44537	3.1
612.46765	10.7
630.48279	8.6
631.23419	29.4
631.32373	19.7
655.67352	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.7
57.07076	36.0
67.05493	2.1
69.07061	2.5
71.08633	22.9
71.33077	1.0
73.06552	9.3
79.05486	1.1
81.07033	1.5
83.04986	1.0
83.08615	2.9
85.10184	22.2
87.04478	7.7
89.06033	100.0
90.06364	1.9
93.07034	2.3
94.88897	0.7
95.08635	1.4
97.10160	3.2
97.85794	0.7
99.11735	3.9
105.07021	1.2
107.07051	2.8
109.10168	1.2
113.13255	1.1
117.09133	8.7
130.08652	1.0
131.07039	2.8
133.08604	48.5
134.08928	1.6
135.08076	0.8
135.10020	0.8
151.96901	0.8
154.28571	0.9
155.17972	4.4
161.11723	1.5
175.09698	1.8
177.11223	17.9
197.13206	0.9
199.20590	5.1
221.13850	3.1
222.13953	0.8
239.14865	1.1
242.40451	0.7
243.23204	6.0
265.16562	1.3
283.17398	1.2
287.25812	3.4
415.25745	0.9
459.27997	1.4
489.35287	1.9
613.44946	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
51.58941	0.8
55.01882	2.3
55.05498	0.8
56.96579	0.8
59.11031	0.7
59.98866	0.8
65.03955	1.0
70.06601	1.0
79.05493	2.1
79.86397	0.8
81.03460	1.2
85.02934	0.9
86.43069	0.8
88.69933	0.8
91.05498	1.8
93.03457	1.1
95.04977	4.0
98.22594	1.3
98.97592	2.5
103.05505	2.6
105.03377	0.9
107.04984	1.5
109.02926	1.0
109.06558	1.7
110.97600	1.3
111.04483	2.3
116.98668	1.1
117.07073	1.7
119.04941	4.4
123.04436	31.6
128.98650	2.2
131.04907	4.2
135.04456	3.9
137.05983	18.2
139.03920	13.2
143.04927	1.1
145.06535	3.3
147.04414	15.4
151.03909	88.0
152.04247	2.5
153.05495	5.7
161.06033	3.8
163.03893	5.1
163.07597	2.4
165.05498	7.3
169.06606	1.0
173.06006	3.8
175.03990	1.2
175.07509	1.4
177.05504	1.5
177.09175	1.2
179.07066	1.2
181.04956	4.6
187.07620	2.4
189.05565	1.7
193.04939	4.9
197.01215	1.0
203.06973	1.0
205.08502	4.0
207.06593	2.8
210.14961	1.0
215.07167	1.8
218.07478	1.0
219.01862	3.4
219.08221	1.7
237.02823	6.7
247.07707	2.5
248.08043	0.8
255.03917	1.4
258.60712	1.0
277.04028	1.6
279.10272	3.8
285.07663	3.0
295.05038	2.7
299.12772	0.9
303.08636	71.9
304.09097	4.3
311.12650	4.8
329.13824	41.2
330.14279	3.1
351.03949	1.4
369.05112	2.6
421.08255	2.4
427.07001	1.2
446.88669	0.9
449.16144	1.7
466.66425	1.0
516.35046	0.8
527.26428	2.4
553.23743	0.9
571.11023	2.5
571.25104	49.1
572.25458	4.7
630.45746	7.0
631.27307	100.0
631.45923	7.3
632.27411	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2722
Annotation	Taxumairol H
Peak:m/z	Relative Intensity
55.01853	0.7
72.43853	0.6
81.07068	1.2
91.05477	0.9
93.07055	1.4
98.23372	3.3
107.84246	0.9
121.10158	0.9
123.04428	1.1
137.05989	3.1
139.03883	1.1
149.09680	0.7
151.03918	2.1
195.98949	0.7
211.11177	0.7
303.05350	0.9
303.08643	1.8
329.13892	1.5
395.18500	1.3
410.20737	1.8
411.21552	1.7
425.23569	0.9
439.20892	1.5
451.20627	1.1
469.21997	25.1
470.22412	3.2
509.25131	2.9
527.26172	11.3
528.26190	1.0
529.24127	11.2
530.24591	1.6
535.22467	1.3
543.25928	7.4
571.25110	31.2
572.25165	3.8
587.28003	2.7
603.28485	1.4
631.27209	100.0
632.27570	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01874	0.2
55.05510	52.6
56.05850	0.9
57.03432	0.4
57.87874	0.1
59.04981	0.1
61.02922	0.4
69.03428	3.1
69.07071	0.3
69.18282	0.6
71.04988	0.2
73.02909	0.1
73.06567	0.1
75.04490	0.1
79.05488	0.2
81.03419	2.9
81.07054	0.1
83.04979	100.0
83.15895	0.1
84.05305	2.1
85.02901	4.0
87.04484	0.1
91.03985	0.1
91.05465	0.1
97.02892	3.4
98.23375	0.2
99.04475	0.5
101.06018	1.7
107.04963	0.1
108.24989	0.1
109.02876	1.5
109.70625	0.1
115.05498	0.1
118.06268	0.1
124.05171	0.1
127.03905	2.2
128.04269	0.1
128.06198	0.1
131.08565	0.1
131.92459	0.1
136.04437	0.1
137.05983	0.1
139.07509	0.5
143.08514	0.1
144.05780	0.1
145.04979	0.8
145.06036	0.1
145.06456	0.1
151.03905	0.1
152.04619	0.1
152.06245	0.2
155.08611	0.1
158.07370	0.1
159.08040	0.3
160.08841	0.1
161.05905	0.1
165.07027	0.4
167.07047	1.4
168.05734	0.3
169.06538	0.2
171.08104	0.1
173.06050	0.2
173.09598	0.1
178.07808	0.1
179.08611	0.2
181.06424	0.2
181.08571	0.1
182.07225	0.4
183.08054	0.4
184.05127	0.1
185.05998	0.1
185.08092	0.2
186.06825	0.1
187.07587	0.4
188.08316	0.2
189.05400	0.1
189.09100	0.1
191.06958	0.1
191.10695	0.3
192.09242	0.1
193.06442	0.2
194.07179	0.1
195.08064	0.2
196.05112	0.4
197.05916	0.4
197.09593	0.2
198.06752	0.1
199.07478	0.4
200.08235	0.1
201.09076	0.2
202.09943	0.1
203.06984	0.1
203.10551	0.1
205.08521	0.2
207.08144	0.1
208.05266	0.1
208.08847	0.1
209.06033	0.2
209.07814	0.1
209.09705	0.4
210.06763	0.9
211.07521	1.8
212.04718	0.1
212.08200	0.3
213.05441	0.5
213.09024	0.2
214.06279	0.2
215.07050	0.5
219.08096	0.3
219.10164	0.3
220.08774	0.4
220.10765	0.2
221.05928	0.2
221.09584	0.3
222.06802	0.2
223.07542	0.3
223.11171	0.2
224.04710	0.2
224.08327	0.5
225.05463	0.5
225.09045	1.5
226.06218	0.4
226.09663	0.1
227.06999	1.0
227.09146	3.2
228.04285	0.1
228.07677	0.5
228.09593	0.1
229.04819	0.7
229.08510	0.2
231.06361	0.1
231.10095	0.1
232.08820	0.2
233.05898	0.1
233.09663	0.2
233.11783	0.2
234.06709	0.2
234.10287	0.2
235.07520	0.3
235.11154	0.7
236.08331	0.2
236.11932	0.2
237.05502	0.2
237.09053	0.9
237.11432	0.1
237.12529	0.1
238.06241	0.8
238.09868	0.2
239.06985	1.6
239.10739	0.2
240.07674	0.4
241.04933	0.9
241.08655	0.4
241.12148	0.2
242.05659	0.3
242.09413	0.4
243.06519	1.0
243.10147	0.2
244.07230	0.2
245.04428	0.1
245.07773	0.2
245.10159	1.8
246.10646	0.1
247.07507	0.3
247.11308	0.1
248.08311	0.9
249.05389	0.1
249.09091	1.1
250.06276	0.2
250.09793	0.5
251.06998	0.6
251.10675	0.6
252.04134	0.1
252.07851	0.6
252.11497	0.5
253.04919	0.4
253.08594	2.2
253.12131	0.2
254.05780	0.4
254.09261	0.5
255.06538	1.0
255.10201	0.3
256.03580	0.1
256.07300	1.4
257.04501	0.2
257.08057	0.8
257.11703	0.1
258.05261	0.3
258.08774	0.2
259.05957	0.6
260.06750	0.2
261.09058	0.3
262.09912	0.4
263.07123	0.2
263.10651	1.5
264.07852	0.2
264.11392	0.7
265.08600	2.4
265.12112	0.3
266.05795	0.4
266.09335	0.6
266.12869	0.2
267.06522	2.4
267.10095	0.7
267.13577	0.5
268.07193	0.7
269.04453	0.4
269.08096	0.5
269.11557	0.5
270.05524	0.2
270.08878	1.0
271.05997	1.2
271.09604	1.2
272.06787	0.7
272.09814	0.1
273.07440	0.6
275.09332	0.2
276.07797	0.2
277.08563	1.1
277.12173	0.2
278.09238	0.3
279.06796	0.2
279.10144	1.1
280.07413	0.3
280.10925	1.7
281.08066	2.0
281.11670	1.3
282.08792	0.8
282.12067	0.2
283.05988	0.7
283.09564	0.5
284.06833	1.7
284.10284	0.3
285.07559	2.0
285.11157	1.1
286.08212	0.2
286.11511	0.1
287.05508	0.5
287.09109	0.8
288.06241	0.4
288.09442	0.2
289.07056	0.7
289.10339	0.1
290.09366	0.2
291.10138	1.3
292.10855	0.9
293.08041	1.2
293.11639	0.8
294.08771	0.6
294.12445	0.5
295.09692	0.7
295.13211	4.1
296.10437	0.2
296.13879	0.7
297.07581	0.4
297.11172	1.4
297.14514	0.1
298.08438	1.5
298.11798	0.2
299.09131	3.7
299.12439	0.2
299.16144	0.1
300.09787	0.9
301.07034	0.7
301.10635	0.3
302.07867	1.1
303.08615	2.0
304.09369	3.0
306.12433	0.2
307.09619	0.7
307.12918	0.2
308.10397	1.7
309.08206	0.1
309.11221	2.4
309.14828	0.4
310.08240	0.2
310.11771	0.5
311.09042	0.5
311.12640	0.2
312.09778	0.2
312.13510	1.1
313.10712	4.3
313.14218	0.3
314.11356	0.6
315.08679	0.3
315.12018	0.1
316.09430	1.1
317.10165	3.0
318.10953	3.3
319.11703	0.9
321.11356	0.2
322.11960	0.3
323.12753	6.5
324.13467	1.9
325.10666	1.8
325.14349	0.6
326.11322	0.5
326.14990	0.1
327.08636	0.1
327.12195	0.4
327.15887	1.8
328.16241	0.1
329.10300	0.4
330.10828	0.5
331.11749	3.8
332.12262	0.6
337.14331	0.2
338.15039	0.3
339.12375	0.5
339.15814	0.1
340.13019	1.2
341.10135	0.2
341.13788	1.8
341.17480	0.1
342.14127	0.2
343.11642	0.3
344.12485	0.5
345.13293	3.5
346.13541	0.3
347.12488	0.1
353.13788	0.3
354.14618	0.1
355.15381	16.8
356.16049	4.9
356.20599	0.1
357.13074	0.9
357.17053	0.2
358.14111	0.5
359.14832	0.3
365.13733	0.1
369.16858	0.2
371.14783	0.5
372.15671	1.9
373.15942	0.1
379.15494	0.1
385.16452	0.5
387.17981	41.4
388.18326	4.0
397.16510	0.2
411.18134	0.2
413.15643	0.1
427.17358	0.3
437.19528	0.2
453.18823	0.2
469.22220	3.1
470.22424	0.3
477.18765	0.3
495.20081	0.2
549.23248	0.2
563.69788	0.1
631.25977	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01881	0.2
55.05514	55.8
56.05847	1.1
57.03444	0.5
61.02937	0.4
61.24488	0.2
68.73866	0.2
69.03436	2.9
69.07062	0.3
69.19475	1.0
69.19893	0.3
70.17883	0.2
71.05001	0.3
75.25068	0.2
81.03423	3.1
83.04984	100.0
84.05302	1.9
85.02408	0.3
85.02902	3.3
91.05515	0.2
92.91274	0.2
97.02904	3.2
98.22582	0.3
99.04472	0.5
101.06040	1.5
107.04973	0.2
109.02880	1.3
120.75617	0.2
127.03913	1.9
128.30772	0.2
129.07037	0.2
139.07533	0.5
145.04993	0.7
145.06487	0.2
159.08026	0.4
165.07027	0.3
167.07016	1.4
168.05804	0.3
173.05951	0.2
173.09579	0.2
176.08456	0.2
182.07297	0.4
183.08119	0.4
187.07623	0.2
188.08331	0.2
189.09123	0.2
191.10724	0.2
195.08080	0.4
196.05203	0.5
197.05975	0.5
197.09573	0.4
199.07530	0.4
200.04654	0.2
201.09166	0.3
209.09669	0.5
210.06816	0.8
211.07481	1.8
212.08240	0.2
213.05548	0.4
215.07063	0.5
219.08064	0.4
219.10172	0.4
220.08833	0.4
221.06013	0.2
221.09590	0.4
222.06668	0.3
223.07503	0.4
223.11336	0.2
224.04782	0.2
224.08369	0.4
225.05557	0.4
225.09073	1.9
226.06290	0.4
227.07001	1.1
227.09215	3.2
228.07750	0.5
229.04993	0.8
229.08653	0.3
233.09750	0.3
234.06783	0.2
234.10367	0.3
235.07579	0.2
235.11182	0.6
237.05423	0.5
237.09076	1.1
238.06294	0.7
238.09853	0.3
239.06979	1.6
239.10687	0.4
240.07774	0.5
241.04982	0.8
241.08675	0.5
241.12393	0.3
242.05692	0.4
242.09355	0.2
243.06570	0.9
243.10201	0.2
244.07166	0.3
245.10213	1.6
247.07724	0.2
247.10747	0.2
248.08331	0.6
249.09052	1.2
250.06377	0.2
250.09863	0.4
251.07123	0.5
251.10689	0.6
252.07880	0.6
252.11501	0.4
253.05090	0.5
253.08572	2.1
254.05682	0.3
254.09322	0.5
255.06548	1.1
255.10190	0.3
256.04431	0.2
256.07306	1.3
257.04535	0.3
257.08032	0.8
258.08829	0.3
259.05966	0.7
260.06689	0.2
261.09140	0.3
262.09915	0.4
263.07629	0.2
263.10684	1.6
264.07861	0.2
264.11487	0.7
265.08627	2.1
265.12143	0.5
266.05881	0.4
266.09274	0.5
267.06525	2.5
267.10129	0.6
267.13815	0.5
268.07230	0.6
269.04623	0.4
269.08121	0.5
269.11737	0.5
270.08884	1.2
271.06293	0.9
271.09464	1.1
272.06757	0.6
273.07620	0.3
277.08694	0.7
277.12134	0.3
278.09280	0.3
279.06955	0.4
279.10199	1.4
280.07709	0.3
280.10980	1.9
281.08118	2.2
281.11728	1.4
281.14966	0.2
282.08835	0.7
283.06046	0.9
283.09290	0.4
284.06738	1.6
285.07660	1.6
285.11273	0.8
286.08273	0.3
287.05560	0.5
287.09125	0.8
288.06378	0.5
289.07123	1.0
291.10132	1.1
292.10880	1.0
293.08112	1.3
293.11700	0.7
294.08786	0.7
294.12442	0.4
295.09824	0.6
295.13242	3.9
296.10333	0.2
296.13885	0.7
297.07547	0.5
297.11270	1.5
298.08411	1.4
298.11627	0.3
299.09149	3.4
300.09802	0.7
301.07025	0.6
301.10495	0.4
302.07834	1.1
303.08591	2.2
304.09406	3.4
305.11743	0.3
307.09769	0.5
308.10477	1.8
309.11276	1.9
309.14691	0.3
310.08545	0.4
310.11951	0.6
311.09128	0.6
311.12579	0.3
312.13425	0.9
313.10760	4.4
313.14328	0.4
314.11365	0.8
315.08603	0.3
316.09482	1.2
317.10226	3.1
318.10947	3.1
319.11758	1.1
322.11987	0.3
323.12775	6.4
324.13419	2.0
325.10721	1.8
325.14362	0.5
326.11292	0.5
327.12369	0.4
327.15891	1.7
329.10367	0.3
330.10791	0.5
331.11771	3.3
332.12445	0.6
338.15240	0.3
339.12338	0.6
340.13028	1.4
341.13846	1.6
343.11871	0.4
344.12305	0.3
345.13339	3.8
346.14005	0.3
355.15405	16.2
356.16071	5.4
356.20071	0.2
357.13351	0.8
357.17081	0.3
358.14090	0.5
372.15631	2.3
385.16367	0.4
387.18015	40.5
388.13245	0.3
388.18387	4.3
411.17880	0.4
427.17206	0.3
437.19925	0.2
469.22202	2.8
470.22650	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36293	3.7
52.11612	4.0
53.03944	6.3
55.05514	80.7
67.05511	4.5
69.03426	6.4
71.31516	6.9
79.05490	12.0
81.07056	41.4
83.04981	100.0
85.60395	3.3
91.05483	16.4
93.07028	9.1
93.73554	4.2
95.04964	8.3
95.08609	17.5
97.06606	5.8
99.04475	3.4
105.07021	11.1
107.08610	8.9
109.06517	19.8
111.08134	4.0
117.07028	4.2
119.08542	7.7
121.06496	7.7
123.08089	9.7
125.06091	4.4
129.16315	3.8
131.04916	6.2
131.08542	4.4
133.06442	6.1
135.08063	4.0
137.05969	54.8
141.06955	4.9
143.08617	6.5
145.06479	12.6
145.10077	5.0
147.08046	10.0
151.07555	4.5
153.06961	3.7
153.09114	4.0
155.08553	5.9
157.10074	5.6
159.08066	13.7
161.06137	4.3
161.09650	6.1
162.99908	3.6
165.06996	7.5
167.08551	8.8
169.10133	6.7
171.08063	10.9
173.05980	5.7
173.09639	6.3
174.09944	4.5
175.07568	6.1
175.60822	4.1
178.07747	7.4
179.08549	5.9
181.10124	8.8
183.08046	12.4
185.09627	7.0
187.07497	6.2
189.09097	4.4
191.08623	4.6
193.10222	8.7
195.08049	5.2
197.09561	6.6
198.10426	4.0
199.11192	6.5
203.08551	5.0
205.10063	7.1
206.11078	4.1
207.08141	6.3
207.11713	7.6
209.09634	9.2
211.11263	9.3
213.09184	4.5
216.09286	5.0
217.10120	9.4
219.11685	6.1
220.08562	4.1
221.09712	10.0
223.11191	10.5
225.09084	5.0
227.10712	4.8
231.11757	4.1
232.09233	4.7
232.12300	7.2
233.09581	7.8
235.11153	13.8
237.09055	8.2
237.12729	8.4
239.10683	5.7
245.09572	8.2
247.11421	9.0
247.14532	5.0
249.12753	13.9
251.10744	9.2
251.14310	3.9
253.12238	5.0
263.10617	7.4
263.14423	8.2
264.11505	6.9
265.12314	8.7
265.15842	4.4
267.13715	4.4
273.12646	6.6
275.14334	7.9
277.12186	6.0
277.15994	4.6
279.13937	7.2
280.36819	4.3
281.11740	7.7
287.14377	5.0
291.13870	9.2
293.08374	3.8
293.11896	6.5
293.15353	8.7
295.13452	5.2
299.12650	5.4
305.15332	4.2
311.16620	3.7
321.14993	4.6
333.14923	4.7
355.11987	6.3
389.17841	4.0
391.19141	9.6
397.16541	8.3
401.17639	8.1
402.18042	7.9
407.18393	5.1
419.18610	35.2
420.19394	11.2
421.20023	9.3
431.18347	5.8
437.19595	63.6
438.20108	10.6
439.21249	3.9
449.19516	16.0
451.21210	4.3
455.20544	8.2
459.17944	6.0
467.20721	25.5
477.19110	7.3
485.21506	9.1
495.19983	18.4
513.21088	10.7
631.25372	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
66.21706	0.5
67.05499	1.1
69.07040	0.5
69.51838	1.1
69.52249	2.5
77.96281	0.6
79.05508	1.1
81.07075	1.4
93.07063	1.0
95.08589	1.0
98.77017	0.6
105.07085	1.0
107.08635	1.3
110.64178	0.6
120.35182	0.6
129.28165	0.7
156.32433	0.6
159.50145	0.7
167.07100	1.6
198.83931	0.9
201.09094	0.9
210.06818	1.2
211.07545	1.8
225.09190	1.7
227.07060	1.0
237.09082	1.3
239.07170	1.7
241.05016	0.9
241.08684	1.0
243.06561	1.2
248.08273	0.8
249.09097	1.8
251.10686	1.0
252.11407	0.7
253.08627	1.0
255.06654	1.0
256.07245	1.5
259.05951	0.7
263.10727	2.5
265.08533	3.1
266.09302	0.9
267.06476	1.0
269.11664	0.7
270.05267	0.8
270.08759	0.9
271.09753	1.1
272.06769	0.9
277.08734	1.7
278.09195	0.8
280.07571	0.8
280.10938	2.7
281.08221	1.2
281.11740	1.2
284.06796	1.4
285.07809	1.0
285.11221	0.8
291.10071	1.1
293.08249	1.2
293.11603	1.2
294.08783	1.3
295.13229	5.0
297.11203	1.5
298.08582	0.9
299.09088	4.0
302.07889	0.7
303.08661	1.4
307.09717	0.9
308.10440	2.0
309.11102	3.0
313.10794	2.4
315.08841	0.8
317.10110	2.0
318.11002	3.2
323.12784	6.2
324.13458	2.8
325.06870	8.6
325.10776	1.8
327.15948	1.5
331.11804	0.8
340.09225	4.4
340.12982	1.4
341.13837	0.8
345.13739	0.7
355.15366	8.0
356.15997	3.0
363.12082	9.4
372.16061	0.8
377.13846	1.3
378.14304	4.7
379.11246	1.1
387.17972	5.5
409.16208	37.5
410.16568	3.2
411.17755	6.4
450.18765	1.9
592.68066	0.6
631.32349	100.0
632.32635	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.2
55.01870	4.8
55.05517	42.3
57.07078	11.4
57.07345	4.1
59.04997	4.9
61.70669	4.5
65.03941	8.5
67.05511	55.1
68.99709	3.9
69.03410	9.8
69.07066	40.7
71.04988	7.3
79.05491	39.3
81.03423	12.7
81.07056	50.8
83.04994	57.4
83.08635	13.9
85.55884	4.0
89.06046	5.2
91.05486	61.0
93.07047	100.0
95.04979	18.7
95.08616	75.0
97.06551	10.2
97.10159	3.9
98.23199	20.3
103.05480	8.1
105.07034	64.8
107.04957	6.5
107.08585	54.6
108.08882	4.6
109.06522	13.6
109.10172	53.8
111.04466	16.7
111.08068	29.6
115.05482	5.2
117.07013	37.2
119.08582	99.4
121.06504	15.2
121.10151	49.5
123.08067	10.6
123.11730	17.7
128.06247	16.8
129.07040	28.7
131.08580	40.9
132.84723	4.6
133.06514	6.7
133.10141	57.2
135.08078	14.5
135.11682	44.4
137.05928	5.1
137.09637	14.2
137.13202	7.5
139.07536	24.1
141.07028	13.9
142.07796	18.2
143.08562	46.4
144.09352	7.0
145.06471	6.9
145.10130	43.7
147.08054	11.5
147.11693	33.8
149.09608	10.9
149.13301	5.4
151.07570	6.4
153.07060	8.7
154.07710	6.6
155.08545	29.7
156.09373	16.8
157.06528	8.7
157.10135	54.8
159.08066	16.1
159.11717	27.2
161.09633	12.1
161.13297	8.7
165.07016	6.6
167.08591	17.4
168.09294	10.1
169.10133	32.6
170.10820	5.0
171.08038	11.4
171.11685	41.4
173.09636	14.6
173.13298	17.7
175.11241	15.7
179.08530	25.6
181.10162	29.5
182.10909	8.2
183.08018	7.8
183.11676	37.4
185.09654	8.0
185.13303	20.0
187.11224	18.0
187.14896	8.0
189.12759	10.9
191.08580	6.7
192.09340	11.9
193.10100	21.7
194.10928	14.0
195.08072	8.3
195.11725	26.3
196.12479	8.0
197.09659	9.9
197.13226	26.3
198.10378	5.4
199.11235	12.6
199.14896	14.4
201.12714	6.4
204.09286	5.3
205.10184	12.1
205.12137	7.0
206.10960	16.7
207.11678	28.6
208.12485	7.4
209.09663	12.2
209.13289	27.4
211.11195	15.3
211.14827	27.3
213.12781	9.4
213.16440	4.7
216.09323	4.4
217.10117	9.3
218.10889	8.8
219.11635	18.0
220.12486	7.5
221.09689	7.1
221.13257	35.1
221.15227	7.8
222.10179	4.2
223.11270	14.1
223.14912	25.7
224.12007	7.4
225.12715	12.3
225.16341	8.5
227.10716	5.7
227.14197	20.8
227.17839	4.6
229.10100	10.9
231.11684	10.9
232.12476	7.6
233.09714	6.0
233.13318	17.9
234.10510	7.2
234.13943	8.2
235.11203	6.3
235.14839	12.1
236.15590	5.0
237.12785	11.2
237.16422	9.1
239.10556	4.9
239.14334	20.2
239.18004	5.9
240.07269	4.6
241.15923	8.1
243.11714	13.8
244.12424	8.9
245.13182	12.4
245.15448	19.7
247.11411	5.7
247.14857	16.4
248.15572	5.3
249.09023	5.3
249.12791	10.3
249.16389	14.4
251.14296	7.8
251.18040	8.2
253.15849	7.4
253.19597	5.7
257.13220	12.6
257.15402	13.1
258.14008	9.3
261.12708	5.2
261.16324	8.3
263.14529	7.3
263.17886	8.9
265.08691	7.5
265.15860	9.3
265.19565	7.4
267.17404	8.2
269.13278	7.1
270.13965	6.7
271.14691	8.2
273.16379	8.0
274.17313	4.7
275.14301	8.3
275.17999	6.1
277.15921	13.8
277.19431	6.3
279.17361	6.4
282.08908	7.7
284.03082	4.7
285.16165	9.0
289.15970	5.1
293.08020	8.3
295.17133	6.0
297.07462	6.7
297.11169	7.8
297.16083	7.0
299.05594	7.1
299.08759	5.5
299.17850	4.9
301.16037	6.2
303.17691	5.4
303.21130	6.0
305.19147	8.6
307.09671	12.2
308.10123	11.9
310.11801	7.1
311.08951	8.1
311.17917	10.6
312.09692	8.3
315.08243	5.9
315.20972	8.6
317.19308	6.8
317.22800	4.9
323.09082	7.3
324.09720	6.9
325.10699	12.3
326.11179	11.4
329.10089	6.8
330.10532	7.3
333.22116	10.8
338.11472	9.1
339.11926	11.7
339.20883	7.7
340.13037	15.5
340.21533	5.9
341.13498	22.0
341.22568	6.2
342.10599	8.0
343.11615	8.8
344.12106	5.3
351.23370	6.2
355.11780	8.5
356.12341	8.9
357.13101	13.5
363.23172	7.2
369.13266	31.6
370.13678	63.9
371.14874	34.9
372.15201	62.2
379.82001	5.0
381.24573	7.0
401.24860	6.0
443.26422	4.9
459.24997	6.0
521.30225	4.5
535.35254	7.9
549.37323	5.9
559.35406	7.5
567.38354	9.9
577.36346	26.3
595.37769	51.9
596.38165	9.3
613.38965	13.0
631.40179	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64352	2.0
51.02374	3.4
53.03942	9.4
55.05519	23.4
57.07075	7.7
59.05016	2.8
64.71197	2.0
65.03946	5.5
67.05504	41.7
69.03425	6.3
69.07064	14.0
69.92412	7.2
71.04994	3.3
79.05487	41.8
81.07053	45.9
83.04975	31.0
83.08625	7.5
88.72884	2.5
89.06008	2.5
91.05479	47.8
93.07040	100.0
94.07394	3.8
95.01330	4.4
95.04955	15.5
95.08603	60.2
97.06507	3.4
101.10361	2.1
105.04517	3.7
105.07027	54.2
107.04970	4.8
107.08588	49.9
109.06538	11.2
109.10149	26.2
111.04453	16.1
111.08062	26.4
115.05452	7.1
117.07033	15.3
119.06126	2.3
119.08579	50.4
121.06470	12.1
121.10133	38.2
123.08076	7.0
123.11713	11.9
125.09637	3.9
128.06192	12.8
129.06989	17.8
130.07773	4.4
131.04929	2.7
131.08560	30.9
133.06490	5.5
133.10124	52.3
134.10503	3.2
135.08090	10.6
135.11684	41.9
137.05968	6.2
137.09657	4.8
137.13208	2.6
139.07542	14.0
139.23399	2.0
141.06964	14.6
141.09029	2.6
142.07748	12.0
143.08571	26.0
145.06529	4.7
145.10136	22.5
146.10728	2.3
147.08041	14.4
147.11668	26.6
147.12756	2.7
149.09613	4.1
149.13264	9.1
153.06972	7.0
154.07843	2.7
155.08562	21.7
156.09358	8.7
157.06505	5.9
157.10118	29.6
158.10835	2.9
159.08035	7.1
159.11691	19.1
161.09685	6.5
161.13286	5.2
163.07535	3.7
163.11163	6.7
165.06944	10.5
165.09114	6.6
166.07733	3.6
167.08624	12.7
168.09332	4.6
169.06468	2.9
169.10123	29.9
170.10829	6.9
171.08063	6.0
171.11678	27.8
172.08752	3.5
173.09676	10.4
173.11835	2.4
173.13277	8.2
175.11214	7.1
175.14883	3.8
177.09097	3.0
178.07768	6.5
179.08565	13.3
180.09312	7.3
181.10088	24.4
182.10896	6.1
182.77490	2.1
183.08109	3.4
183.11685	25.2
184.08908	2.7
184.12451	2.7
185.09639	4.1
185.13242	18.2
186.10306	2.5
187.11165	11.5
187.14813	8.1
189.12711	5.3
191.08540	3.5
192.09291	8.5
193.10132	17.3
194.10883	8.6
195.08086	4.9
195.11644	20.1
196.08862	3.1
196.12354	5.0
197.09540	10.4
197.13222	21.2
198.13943	4.2
199.11201	10.3
199.14847	9.8
201.12766	6.6
202.07855	3.7
203.08496	3.1
204.09299	4.9
205.10150	9.6
206.10921	8.9
207.08273	3.3
207.11705	26.1
208.12489	3.6
209.09567	6.0
209.13210	17.7
210.10393	3.3
210.13875	3.2
211.11203	7.6
211.14821	12.1
213.12782	7.0
213.16396	10.3
215.08607	3.0
215.10690	3.3
215.14404	6.1
216.09315	2.8
217.10141	8.9
217.12111	4.2
218.10901	7.1
219.11736	13.9
219.13600	3.7
220.12468	4.6
221.09711	4.9
221.13312	21.8
222.10484	2.7
222.13951	4.4
223.11220	7.3
223.14845	14.2
225.12747	9.7
225.16383	5.9
227.14294	10.6
229.10135	5.6
229.12328	2.7
230.10812	4.4
231.11693	9.5
231.13634	3.8
232.08623	2.9
232.12419	8.2
233.09692	3.9
233.13248	14.2
233.15311	4.9
234.13953	5.4
235.11095	5.5
235.14732	14.4
236.15590	3.3
237.12759	5.9
237.16364	10.8
239.14262	12.8
239.17929	4.2
241.15987	4.3
241.19597	2.7
243.11661	10.1
243.13863	2.4
244.12511	4.2
245.09677	4.3
245.13306	8.6
245.15480	3.2
246.10471	3.3
246.13936	6.6
247.11223	6.8
247.14772	13.9
248.11940	2.8
249.12732	6.7
249.16368	12.6
251.14423	3.5
251.17972	8.9
255.11607	5.3
255.14061	3.9
256.12494	3.6
257.13196	7.5
257.15475	5.5
258.13937	6.7
259.11288	5.1
259.14789	11.8
260.15579	4.5
261.12747	6.8
261.16330	9.5
263.14481	3.0
263.18005	6.3
265.15915	4.8
265.19415	6.4
267.17422	4.1
269.13065	4.9
270.13885	4.9
271.14844	8.3
273.12726	5.6
273.16229	10.6
275.14432	5.2
275.17941	9.6
277.15820	8.1
277.19345	4.6
279.13928	3.2
279.21030	2.7
281.15665	2.5
283.11356	2.7
283.14911	5.0
284.15302	4.0
285.12799	4.1
285.16406	6.2
286.13446	3.6
287.14319	4.5
287.17920	5.8
288.18668	3.4
289.15869	3.5
289.19431	5.9
290.16675	2.8
291.17517	7.7
291.20758	3.0
293.18887	4.0
295.17334	4.5
297.16269	3.9
299.14587	2.9
299.17981	6.0
300.18518	2.4
301.15823	6.5
301.19388	4.7
302.16394	2.8
303.17468	5.4
303.20944	4.2
305.19098	5.5
305.22684	6.3
309.18655	3.1
313.15720	2.8
313.19370	3.2
315.17413	6.0
315.20999	4.4
317.19122	4.4
317.22638	4.7
319.16705	2.6
319.20441	3.3
325.16046	3.5
327.17474	5.2
327.21100	4.0
329.18958	6.1
329.22540	4.5
331.20505	5.5
331.24063	2.7
333.22113	8.6
340.17978	3.1
341.19009	5.2
342.19565	3.1
343.24176	4.4
345.18304	2.7
345.22314	3.3
347.20193	2.7
351.23041	8.2
353.22952	2.6
355.20511	2.9
359.20010	3.8
361.21082	3.6
363.23254	6.9
367.24292	3.4
375.23193	5.0
381.24417	11.3
395.23215	3.9
401.24881	4.7
413.24652	6.1
415.26282	3.8
423.22629	2.9
425.24670	5.0
441.23779	13.8
443.25720	9.0
455.30032	3.8
457.30954	8.3
459.25455	18.1
461.26776	6.9
463.30231	2.8
473.26776	3.6
490.35727	6.8
496.33325	3.4
549.37225	9.7
559.35736	5.5
567.38086	5.1
577.36713	32.4
578.36633	6.2
595.37720	38.8
596.37976	7.5
613.38635	9.8
631.38312	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	12.7
55.05516	40.6
57.07066	7.9
65.03927	6.7
67.05509	63.6
69.03444	8.8
69.07080	22.9
69.45052	30.9
69.45380	8.2
76.32220	4.2
79.05499	59.1
80.07433	4.9
81.03423	6.1
81.07056	69.9
83.04992	48.2
83.08645	10.6
91.05484	61.6
93.07046	100.0
95.04968	15.4
95.08022	3.3
95.08607	89.1
97.06550	12.6
97.10175	4.6
98.22527	5.0
105.04444	5.2
105.07040	57.6
107.05016	6.8
107.08591	58.7
109.06509	20.0
109.10150	34.1
111.04460	19.4
111.08092	29.1
113.44615	4.3
115.05437	6.1
117.07019	27.5
119.08587	53.2
121.06504	35.6
121.10175	42.1
123.08060	56.6
123.09438	5.2
123.10459	4.8
123.11680	14.4
125.05954	4.3
125.59885	5.1
127.94513	4.7
128.06218	11.1
129.07008	22.6
130.07745	5.5
131.08553	39.8
133.10135	64.1
134.10478	6.4
135.08076	13.1
135.11673	42.7
137.09605	8.2
139.07559	21.6
141.06970	15.5
142.07816	13.7
143.08531	30.9
145.10110	36.7
147.08066	12.4
147.11726	29.7
149.06012	7.2
149.09622	5.5
149.13289	7.8
151.07516	7.2
153.06903	6.7
154.07762	8.0
155.08534	27.9
156.09375	8.6
157.10130	30.8
159.08069	8.8
159.11699	29.9
161.09608	13.5
161.13252	7.1
163.11195	5.2
166.07780	6.1
167.07047	53.4
167.08530	13.6
168.09386	8.2
169.10088	30.7
171.07977	4.9
171.11681	38.7
173.09642	16.0
173.13283	19.7
174.47252	5.4
175.11230	9.9
179.08530	11.4
180.09471	5.4
181.08601	12.4
181.10152	25.6
182.10806	7.4
183.11696	28.5
185.09602	7.3
185.13234	20.5
187.11241	10.8
189.12717	6.6
191.08699	5.1
191.10544	6.4
192.09410	6.4
193.10168	19.8
194.10965	13.5
195.11725	27.8
196.08888	4.9
196.12450	5.0
197.09645	5.4
197.13235	30.2
199.11157	6.2
199.14778	10.7
201.16316	6.1
204.09337	5.0
205.10104	13.2
206.10959	13.2
207.11687	34.7
208.12389	4.9
209.13260	21.1
211.14833	26.2
213.12653	6.8
213.16426	7.6
215.10663	5.3
217.10179	11.4
218.10941	7.6
219.11867	21.2
220.12491	8.0
221.09503	4.5
221.13306	24.4
222.14023	5.3
223.14772	16.4
225.12927	7.0
225.16460	14.8
227.14316	9.6
227.17960	8.2
231.11705	16.6
231.13792	5.1
232.12544	7.9
233.13301	18.2
233.15398	7.8
234.14223	10.1
235.14795	20.4
237.12787	6.0
237.16423	15.3
239.14330	6.8
239.17978	8.1
243.11621	9.6
244.12506	7.7
245.13197	10.0
245.15376	5.8
246.13985	7.9
247.14980	21.9
249.16341	16.8
251.17946	8.7
256.12476	7.2
257.13168	10.6
259.14868	10.6
260.15598	6.8
261.16400	16.6
263.18048	8.8
265.19635	5.6
269.13132	9.0
271.14722	6.2
273.16409	8.4
274.17245	10.1
275.14975	4.8
275.17960	16.2
276.18460	5.9
277.16003	6.1
277.19510	10.4
281.22589	10.9
287.17914	13.6
288.18738	5.5
289.19543	12.3
291.17670	9.5
291.20947	10.9
299.17874	8.7
300.18729	6.0
301.19672	8.9
305.22473	4.6
314.20142	6.1
315.20773	9.4
317.19104	5.1
317.22455	7.4
319.17059	5.3
319.20474	5.2
327.21048	5.7
329.22540	7.5
331.16971	5.7
331.24231	9.2
333.22229	6.0
341.22400	6.1
343.24237	5.8
351.23135	11.4
389.24731	26.4
407.26892	5.1
417.23932	6.8
433.27594	7.9
445.30988	13.8
447.32620	9.3
459.25394	21.3
477.26273	8.4
483.32251	5.2
525.37341	45.5
526.37683	6.6
535.35730	26.0
549.37811	6.1
553.37006	38.6
554.36877	7.0
569.40222	23.0
571.38336	7.8
577.36743	28.8
595.37854	88.4
596.37708	14.3
613.39252	31.8
614.40002	4.9
631.40027	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.8
55.05504	2.6
56.29216	0.8
57.03438	1.7
57.07081	2.3
59.04987	1.0
62.23857	0.8
62.48841	0.8
67.05508	7.9
69.07066	3.4
71.08627	1.7
78.71960	1.0
79.05481	2.5
81.07063	6.2
83.04997	1.5
83.08617	2.1
86.53218	0.8
91.05475	2.1
93.07060	3.9
95.08621	5.6
105.07054	3.2
107.08620	2.7
109.10166	2.7
119.08578	1.6
121.10131	1.2
126.95184	0.7
131.08563	0.9
133.10159	1.5
147.11725	1.7
173.11920	0.8
173.13438	1.2
174.43526	0.9
176.02367	1.0
177.05614	1.0
204.90021	1.0
209.32004	0.8
301.21362	1.2
313.27344	2.2
319.22455	3.7
355.15701	2.2
356.15869	2.7
357.16119	3.6
358.16422	2.6
375.25269	3.6
411.17847	12.6
412.18152	2.0
533.39520	1.2
613.48138	1.8
631.36371	9.7
631.49115	100.0
632.36755	1.9
632.49530	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
57.03435	0.5
59.18583	0.8
67.05489	0.8
68.99797	0.6
69.03423	1.8
70.92950	0.9
79.05479	2.1
81.03429	0.7
84.68527	0.5
85.02898	1.6
91.05492	1.3
95.04990	1.0
97.02901	0.9
107.04929	1.9
110.36066	0.5
119.04926	2.9
123.04427	12.7
131.04947	0.7
135.04422	6.8
137.02341	12.5
137.05978	0.7
138.02634	0.6
139.03911	0.8
139.07541	0.8
145.02826	1.8
147.04413	5.7
161.05962	0.7
163.03911	14.7
165.01851	1.8
165.05475	10.6
175.03893	1.1
179.03415	1.3
185.96365	0.5
187.03876	1.0
189.05563	0.7
191.03392	100.0
192.03722	4.2
203.03368	2.6
203.06958	0.6
205.04982	1.5
213.05388	1.4
217.04935	2.0
221.04506	3.0
233.04448	1.7
241.04845	1.0
259.06033	10.5
271.05994	1.0
301.07059	55.9
302.07489	2.9
313.07025	1.8
343.08118	37.8
344.08521	3.0
411.10419	0.8
435.10730	0.8
453.11810	11.1
454.12079	1.5
543.22357	1.0
561.23242	2.6
562.23840	0.7
579.24188	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.3
57.18182	2.3
64.76634	2.0
64.96087	2.3
69.40955	8.7
69.41360	5.3
74.75150	1.9
79.05511	2.1
83.04987	11.4
83.14882	1.9
99.56647	1.9
105.06966	2.3
129.76457	2.1
135.57774	2.0
165.06966	2.9
182.07127	2.3
183.39240	2.0
194.07240	3.0
195.08046	4.0
197.06007	2.7
198.06818	3.1
205.06580	4.7
207.08066	3.6
211.07550	5.7
214.13713	2.2
222.06779	13.3
223.07588	4.7
224.08334	3.2
225.05339	2.6
225.09210	2.2
226.06253	6.5
233.06076	4.5
234.06737	2.4
235.07607	5.2
236.08292	2.7
237.05533	6.9
237.09155	8.2
238.06201	4.4
239.07022	9.1
240.07707	4.7
241.08588	6.3
250.06281	9.8
251.07022	7.0
252.07867	5.1
253.04999	5.2
253.08585	5.7
254.05757	14.0
255.06543	6.3
256.07285	5.3
263.07016	4.8
264.07809	4.5
265.05627	3.1
265.08585	24.2
266.05865	2.9
266.09250	2.6
267.06625	14.2
268.07309	8.5
269.07977	11.4
270.08801	4.4
271.06009	5.6
279.06589	7.8
279.10062	3.0
280.07358	6.3
281.08023	6.5
282.05270	5.7
282.08749	3.3
283.05991	8.5
283.09131	2.5
284.06793	13.2
285.07611	6.7
291.06534	3.9
292.07227	5.3
293.07983	19.7
294.08856	5.1
295.06088	5.8
295.09671	8.2
296.06775	5.1
297.07672	16.9
297.10883	3.7
298.08359	8.9
299.05829	4.8
299.09171	12.4
300.06247	14.7
301.06903	3.1
307.06012	3.0
307.09537	5.0
308.06992	14.1
308.10257	3.7
309.07489	12.4
310.08173	4.4
311.05405	2.7
311.09055	9.1
312.09616	2.8
313.07236	4.0
313.10712	7.8
314.07925	7.2
315.08640	39.8
321.07434	2.8
322.08215	5.1
323.09091	35.7
324.06299	3.4
324.09845	6.5
325.07071	8.3
325.10703	6.6
326.07684	4.8
327.08676	9.2
328.09335	3.3
329.10291	11.7
336.09811	2.9
337.10641	4.1
338.11490	8.6
339.08606	11.2
339.12180	3.1
340.09460	7.2
341.10184	31.6
342.07217	4.8
342.10925	30.4
343.08023	2.4
343.11545	10.4
351.08630	4.4
353.10303	3.3
354.10992	3.0
355.11755	100.0
356.12061	5.4
357.09705	22.0
358.10416	31.6
359.10831	2.6
365.10175	5.0
366.11005	11.6
367.11844	2.8
369.13324	20.5
370.13876	3.3
371.11346	13.1
373.12842	9.5
382.10770	4.2
383.11276	5.5
397.12811	86.1
398.13101	6.6
415.14041	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.2
57.03439	1.8
57.07072	4.5
67.05505	4.2
75.04463	2.3
77.15084	1.5
79.05511	2.0
81.07051	5.2
81.46032	1.4
83.05003	7.4
85.06542	72.7
88.43132	1.7
91.05443	1.7
93.07037	2.5
95.04966	3.2
95.08617	1.8
108.23819	1.3
109.06493	1.5
113.06021	9.7
117.05470	1.7
121.80685	1.5
127.07554	7.8
137.05988	2.2
138.28928	1.7
139.06987	1.7
165.07053	3.1
169.06479	1.6
169.08701	2.4
182.07376	1.4
187.09644	34.0
188.09944	2.0
195.08095	2.4
196.05147	2.3
198.06752	1.8
199.07536	3.3
201.37148	1.5
207.08003	1.9
209.09578	1.5
211.07561	4.7
213.09184	2.1
223.07375	1.7
225.05428	1.9
226.06462	1.6
228.07713	2.8
229.14268	2.2
238.06360	2.5
239.07076	15.3
240.04185	13.4
240.07864	2.6
241.04736	2.2
241.08588	5.7
242.05777	3.6
243.02988	3.6
250.06253	2.6
251.07008	5.3
252.04245	1.8
252.07590	3.4
253.05049	3.1
253.08485	5.1
254.05685	4.4
255.06415	1.9
256.07236	1.9
257.07944	2.6
263.06992	1.9
264.07739	1.9
265.05109	3.1
265.08484	2.9
266.05774	3.4
266.09109	1.8
267.06516	100.0
268.03635	4.4
268.06979	9.7
269.08029	5.6
271.09692	2.6
277.08438	2.0
279.06723	3.4
279.10019	2.7
280.07178	5.6
281.08084	17.3
282.05270	2.9
282.08554	1.9
283.05948	4.8
283.09680	6.3
284.06564	2.4
285.07501	5.1
286.04706	15.8
291.06595	2.8
291.09970	1.9
293.08041	3.8
294.08817	5.5
295.06305	3.0
295.09674	6.9
297.07574	40.5
298.04324	1.5
298.07983	5.5
299.05676	3.3
299.09088	11.6
301.07062	24.9
302.07492	2.3
307.05954	2.5
308.06693	1.8
309.07529	9.0
309.10928	3.1
310.08289	4.1
311.09073	9.4
312.09622	3.6
313.06998	11.3
313.10526	2.8
314.07767	11.4
315.08414	3.5
323.09082	2.1
325.07150	2.7
325.10709	6.4
327.08633	5.0
327.12231	2.3
328.09399	14.5
329.10135	46.9
330.10608	4.1
335.09076	4.0
336.09772	2.6
337.07053	2.9
337.10663	9.5
338.07834	2.4
339.12369	4.4
341.10089	4.0
342.10919	2.4
343.11777	11.0
345.09689	2.6
351.12213	18.6
353.10181	4.1
355.11765	9.9
357.13559	2.5
366.10907	3.1
367.11810	13.3
368.12051	2.4
370.10410	14.0
381.13382	7.9
383.14832	2.1
384.11935	2.0
385.12772	64.0
386.13068	5.2
397.12213	1.7
403.13977	2.4
413.15967	68.4
414.16364	8.1
427.17517	2.9
435.27560	2.3
451.17587	3.5
458.15726	2.4
469.18588	44.4
470.18799	4.1
487.19592	17.8
488.19980	2.8
489.02576	1.6
515.19135	4.7
633.33759	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65747	1.8
51.28034	2.0
54.56965	1.8
55.05510	12.7
55.93116	2.0
57.07080	3.7
59.32893	1.9
66.22382	1.9
67.05486	3.3
71.31627	2.7
75.04480	4.4
81.07059	7.5
83.04980	16.4
85.06543	64.5
86.03167	2.1
93.07078	2.5
109.06542	3.0
113.06002	9.7
127.07543	7.0
137.05986	11.1
183.08122	2.5
185.09714	3.1
187.09674	31.3
195.08168	2.4
195.11632	2.3
197.09393	2.3
200.23764	4.8
203.71136	2.0
211.07472	5.0
213.09094	2.6
217.35725	2.3
219.10368	2.1
223.07440	2.6
237.05490	2.4
238.06212	4.3
239.06990	12.4
240.04243	11.8
240.07620	2.4
241.08611	4.7
243.03049	2.4
248.08479	2.1
249.09129	2.8
251.07053	5.9
253.04936	3.1
253.08578	6.5
254.05873	2.5
255.06476	4.3
266.05698	5.8
267.06525	100.0
268.03876	4.2
268.06992	8.3
269.08047	6.9
271.09454	3.2
277.08725	3.2
279.06491	4.6
281.04880	4.0
281.08093	15.9
282.08572	3.2
283.06097	4.6
283.09683	5.4
286.04791	12.9
293.08151	5.2
293.15427	3.1
294.08838	3.9
295.05960	3.3
295.09552	6.3
296.06796	3.1
297.07565	36.0
298.08066	5.0
299.05692	3.5
299.09143	9.0
301.07007	18.6
309.07568	7.3
310.08203	2.8
311.09192	13.1
312.09732	2.7
313.07092	11.0
314.07755	10.6
315.08356	2.7
323.05530	2.6
323.08997	3.1
325.10788	4.8
327.08664	6.6
327.12238	3.3
328.09384	14.7
329.10184	45.3
330.10626	4.8
335.09360	3.1
337.10822	5.1
339.12195	4.7
341.10245	2.9
342.10971	3.6
343.11795	9.3
351.12289	19.6
352.09262	3.0
354.10779	2.5
355.11789	6.2
367.11746	12.0
370.10385	18.3
371.10773	2.7
381.13336	7.0
385.12796	64.3
413.10446	3.9
413.15909	66.8
414.16116	7.3
419.18402	7.5
427.17368	5.1
437.19611	5.8
451.17279	3.7
469.18497	36.1
470.18698	4.5
487.19662	14.7
497.21494	2.4
515.19025	5.9
558.69745	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99948	9.7
55.05499	29.5
69.02242	100.0
71.07245	9.7
83.04984	20.3
85.59122	10.1
96.04472	16.0
99.71244	10.8
148.07579	10.7
163.36491	9.8
203.09363	11.3
219.08231	12.0
250.06342	12.4
254.05722	12.9
259.09528	9.5
265.08502	23.1
273.44571	10.7
281.08026	13.8
284.06873	12.7
285.55826	11.8
293.07901	18.7
297.07507	20.2
299.09146	15.0
300.06400	12.6
309.07513	12.3
311.05725	10.4
311.09006	15.9
313.10953	11.2
315.08475	43.5
323.09250	29.7
325.10870	11.0
329.09998	13.7
341.10284	28.9
355.11652	61.8
357.09650	14.3
358.10416	13.1
369.13303	20.6
371.11288	12.6
373.12561	12.6
397.12766	75.3
428.84177	11.8
624.48462	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98242	2.5
53.80201	2.0
55.01877	5.3
55.05519	2.9
58.99592	5.3
64.72719	2.2
67.05513	7.1
69.03434	6.8
69.62038	4.7
69.62447	8.0
75.56660	2.2
76.02227	8.3
79.05498	7.7
79.38134	1.9
79.97485	2.1
81.07058	5.6
83.04955	2.3
85.06551	5.0
86.00647	7.4
86.99031	4.3
91.05486	17.9
93.07025	15.7
95.04979	8.3
95.08633	9.3
98.23330	3.5
105.07021	21.3
107.08618	9.5
109.06552	5.9
111.08080	7.6
113.85844	2.3
115.05470	3.6
117.07026	7.4
119.04947	2.8
119.08610	13.1
121.06520	6.8
121.10165	2.4
122.02742	19.1
123.04454	3.5
123.08188	3.0
124.06519	2.1
128.06245	5.8
129.07019	6.6
131.08575	13.0
132.01144	13.7
133.06516	7.7
133.10155	8.4
135.08089	9.1
137.06038	4.5
139.07556	3.0
141.06985	6.5
142.07848	6.0
143.08556	15.3
145.06448	4.1
145.10150	10.0
147.08080	10.4
147.11716	3.9
154.07774	3.3
155.08546	21.5
156.09360	4.6
157.10187	10.3
159.08067	9.0
159.11746	3.7
161.09625	9.6
163.07547	4.8
165.07014	4.3
165.09210	2.7
167.07092	3.6
167.08566	8.1
169.10110	16.4
170.10487	2.6
171.08083	3.1
171.11760	5.5
173.06032	2.2
173.09634	11.4
173.13220	2.7
175.11220	9.5
179.07146	2.5
179.08611	6.8
180.09435	4.2
181.10089	14.4
182.10956	4.4
183.11708	7.4
185.09676	5.9
185.13370	2.7
187.11214	5.0
189.07318	2.4
189.09088	4.3
191.08768	3.2
191.10727	2.7
192.09305	5.6
193.10207	6.1
195.07980	2.8
195.11650	15.1
197.09624	6.7
197.13237	16.8
198.13608	2.3
199.11259	6.8
201.09138	6.5
203.10695	4.0
205.10123	6.4
206.10968	4.1
207.11740	9.0
209.09846	2.4
209.11635	4.0
209.13382	5.2
211.11255	5.5
211.14897	3.4
213.12640	4.3
215.10664	3.6
217.10313	2.4
219.11897	2.6
221.13399	10.6
223.11230	7.8
223.14804	4.2
225.12851	5.2
227.10782	3.2
229.10040	3.6
229.12244	3.0
231.11765	2.9
233.13429	2.6
235.11180	3.1
237.12857	3.8
239.10867	3.3
239.14404	4.9
241.12308	5.8
247.11331	3.2
247.14793	4.2
249.12674	4.8
251.14267	3.3
257.15448	24.0
263.14279	3.0
265.15860	2.4
269.15518	4.6
275.18054	2.5
306.68546	2.7
312.18799	2.2
411.23364	5.4
415.23004	5.7
421.21265	3.1
429.24307	7.8
431.26035	5.6
433.23907	3.5
433.83591	2.4
439.22705	9.8
447.25357	8.5
457.23801	26.7
463.09531	3.0
475.24789	100.0
476.25330	14.6
489.20633	2.9
493.25769	21.4
507.21970	7.8
511.26944	2.4
596.26764	16.7
614.27893	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98242	2.5
53.80201	2.0
55.01877	5.3
55.05519	2.9
58.99592	5.3
64.72719	2.2
67.05513	7.1
69.03434	6.8
69.62038	4.7
69.62447	8.0
75.56660	2.2
76.02227	8.3
79.05498	7.7
79.38134	1.9
79.97485	2.1
81.07058	5.6
83.04955	2.3
85.06551	5.0
86.00647	7.4
86.99031	4.3
91.05486	17.9
93.07025	15.7
95.04979	8.3
95.08633	9.3
98.23330	3.5
105.07021	21.3
107.08618	9.5
109.06552	5.9
111.08080	7.6
113.85844	2.3
115.05470	3.6
117.07026	7.4
119.04947	2.8
119.08610	13.1
121.06520	6.8
121.10165	2.4
122.02742	19.1
123.04454	3.5
123.08188	3.0
124.06519	2.1
128.06245	5.8
129.07019	6.6
131.08575	13.0
132.01144	13.7
133.06516	7.7
133.10155	8.4
135.08089	9.1
137.06038	4.5
139.07556	3.0
141.06985	6.5
142.07848	6.0
143.08556	15.3
145.06448	4.1
145.10150	10.0
147.08080	10.4
147.11716	3.9
154.07774	3.3
155.08546	21.5
156.09360	4.6
157.10187	10.3
159.08067	9.0
159.11746	3.7
161.09625	9.6
163.07547	4.8
165.07014	4.3
165.09210	2.7
167.07092	3.6
167.08566	8.1
169.10110	16.4
170.10487	2.6
171.08083	3.1
171.11760	5.5
173.06032	2.2
173.09634	11.4
173.13220	2.7
175.11220	9.5
179.07146	2.5
179.08611	6.8
180.09435	4.2
181.10089	14.4
182.10956	4.4
183.11708	7.4
185.09676	5.9
185.13370	2.7
187.11214	5.0
189.07318	2.4
189.09088	4.3
191.08768	3.2
191.10727	2.7
192.09305	5.6
193.10207	6.1
195.07980	2.8
195.11650	15.1
197.09624	6.7
197.13237	16.8
198.13608	2.3
199.11259	6.8
201.09138	6.5
203.10695	4.0
205.10123	6.4
206.10968	4.1
207.11740	9.0
209.09846	2.4
209.11635	4.0
209.13382	5.2
211.11255	5.5
211.14897	3.4
213.12640	4.3
215.10664	3.6
217.10313	2.4
219.11897	2.6
221.13399	10.6
223.11230	7.8
223.14804	4.2
225.12851	5.2
227.10782	3.2
229.10040	3.6
229.12244	3.0
231.11765	2.9
233.13429	2.6
235.11180	3.1
237.12857	3.8
239.10867	3.3
239.14404	4.9
241.12308	5.8
247.11331	3.2
247.14793	4.2
249.12674	4.8
251.14267	3.3
257.15448	24.0
263.14279	3.0
265.15860	2.4
269.15518	4.6
275.18054	2.5
306.68546	2.7
312.18799	2.2
411.23364	5.4
415.23004	5.7
421.21265	3.1
429.24307	7.8
431.26035	5.6
433.23907	3.5
433.83591	2.4
439.22705	9.8
447.25357	8.5
457.23801	26.7
463.09531	3.0
475.24789	100.0
476.25330	14.6
489.20633	2.9
493.25769	21.4
507.21970	7.8
511.26944	2.4
596.26764	16.7
614.27893	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02327	0.7
53.03947	2.3
55.05514	55.0
56.05841	1.1
67.05502	1.3
69.03432	100.0
69.28198	2.1
69.28619	2.3
70.03764	1.4
79.05492	2.7
81.07053	1.6
83.04986	56.9
84.05328	0.9
91.05475	2.4
91.55953	0.7
93.07050	2.7
95.04973	1.7
95.08604	2.8
97.06541	1.6
98.22617	1.1
104.55944	0.7
105.07023	2.7
107.04966	2.2
107.08615	1.7
109.06516	2.4
111.08088	4.8
114.96944	0.7
115.05489	0.8
115.65838	0.6
117.06981	0.8
119.08573	2.7
121.06505	2.4
121.10145	0.8
123.08091	4.6
128.06175	1.1
129.07030	1.3
131.08534	2.0
133.06487	1.2
133.10158	0.8
135.08066	1.3
137.05923	1.4
137.09488	0.7
139.07544	98.6
140.07860	2.8
141.06982	1.5
141.37877	0.6
143.08565	2.3
145.06461	1.4
145.10101	1.6
147.08051	3.0
149.05994	1.1
149.09642	1.4
151.07532	1.3
155.08549	1.9
156.09200	1.0
156.94301	0.6
157.06468	1.4
157.10107	1.6
159.08052	2.5
161.06018	0.7
161.09520	1.4
163.07497	1.6
165.06934	0.9
167.08536	1.7
169.10092	1.6
171.08073	2.2
173.09621	2.2
175.07549	2.3
177.09096	3.1
179.08522	1.8
180.09294	1.0
181.06511	1.1
181.10135	1.3
183.08121	0.9
183.11682	1.8
185.09601	2.8
187.07507	4.6
187.11118	0.9
189.08914	0.8
191.08623	1.1
192.09369	0.7
193.08557	1.5
193.10139	3.5
194.10799	1.1
195.08070	1.0
195.11702	1.4
196.08842	1.4
197.09610	2.0
199.07535	1.8
199.11145	0.9
201.09158	1.8
203.08760	1.0
203.10596	1.0
205.08482	1.3
205.10176	0.8
206.10883	0.9
207.08089	0.8
207.11678	1.5
208.08887	1.5
209.09608	1.9
209.13292	1.7
211.07608	1.2
211.11195	4.1
213.09065	2.8
215.10591	1.5
217.08351	0.8
218.10878	1.2
219.08038	1.1
219.09990	1.4
220.08929	0.8
221.09572	2.2
221.13268	0.9
223.07578	1.0
223.11140	1.2
223.14861	0.8
225.09053	2.5
225.12660	1.9
229.08394	0.9
233.09566	1.0
233.13177	2.0
235.11281	3.2
236.11801	1.0
237.09129	2.0
237.12712	2.5
239.10580	2.6
241.12279	0.8
243.11833	1.1
245.13266	0.9
246.10320	1.1
247.11208	1.3
249.09062	0.8
249.12775	1.1
251.10492	0.9
251.14311	2.9
253.12323	3.8
253.15891	1.7
255.13745	1.1
259.13211	0.9
261.12845	5.3
262.13336	1.0
263.10770	1.7
263.14258	2.9
265.08551	1.0
265.12167	2.3
275.14334	1.1
277.10562	1.3
277.15961	0.9
279.10831	1.1
279.13824	13.0
280.14090	1.4
281.11658	6.4
281.15265	3.6
282.12134	1.0
283.13217	1.9
289.12183	2.9
295.13458	1.0
295.16721	1.3
297.14825	4.5
299.12820	2.0
303.13855	1.6
305.15292	1.4
307.13257	8.3
321.14618	1.8
323.12836	1.1
323.16312	1.5
325.14355	23.5
326.14526	1.9
331.17337	0.9
339.15768	2.6
341.13712	1.3
341.17426	1.6
343.15549	3.1
345.18576	1.2
347.16400	1.0
349.14087	2.4
349.18073	1.0
359.15674	0.8
363.19586	1.7
365.21246	0.8
367.15323	7.1
373.17938	4.3
375.19781	1.0
377.16895	1.6
383.16458	1.3
385.16437	10.8
391.18994	8.4
392.19150	1.0
393.20657	1.8
395.18393	2.0
401.17624	4.5
403.17194	2.8
407.21863	1.5
409.20239	3.4
411.21710	0.8
413.19540	0.8
415.19162	1.3
417.20703	1.1
419.18555	19.7
420.18652	2.4
421.16409	0.8
433.20090	3.5
435.21368	2.7
437.19608	52.8
437.93448	0.7
438.19815	6.1
443.18457	1.5
451.21024	7.9
452.21313	0.9
453.22852	3.1
455.20685	22.2
456.21295	3.3
461.14236	0.7
461.19592	6.4
462.19760	1.1
469.21976	2.5
471.23651	1.0
473.21774	10.7
479.14029	1.2
479.20688	16.8
480.20993	1.9
485.21707	36.3
486.22223	3.9
497.15640	0.8
497.21701	10.5
498.21561	1.8
515.22729	3.4
579.25610	1.1
597.27014	1.0
615.27618	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24371	0.9
53.03945	2.1
55.05513	15.6
57.03442	11.1
61.02908	1.9
62.38141	0.8
65.03952	0.9
67.05506	37.3
69.03409	1.3
69.07059	15.9
71.01358	4.5
71.04990	3.0
79.05492	33.2
81.03424	5.5
81.07057	17.1
83.04982	12.8
83.08618	3.4
85.02889	1.7
85.06551	6.0
91.05478	15.7
93.07045	39.1
95.04972	3.5
95.08589	6.0
97.02930	1.4
97.06538	11.4
97.10181	8.0
99.08102	1.8
105.07033	4.7
107.04971	2.3
107.08591	29.6
107.09282	1.7
109.06520	1.9
109.10161	5.2
111.08112	1.9
115.05539	1.0
117.07041	4.5
119.08583	5.0
121.06509	2.0
121.10151	4.1
125.09657	2.0
128.83916	0.9
131.08557	1.4
133.10124	1.9
135.08116	2.1
135.11696	43.8
136.12100	1.6
137.05980	2.7
137.09561	1.5
145.10124	8.3
147.67604	0.9
153.12759	1.2
155.60895	1.0
163.11169	5.8
181.12221	9.8
199.13295	1.7
211.07596	1.1
229.14409	2.0
237.14813	1.2
255.15913	63.7
256.16238	2.7
267.06531	3.6
281.08176	1.0
286.04663	1.3
297.07645	1.7
299.09125	1.1
301.07028	0.9
313.06873	0.9
325.10648	1.3
328.09497	1.5
343.11993	1.7
379.06125	0.9
385.12909	3.1
413.15533	1.3
435.27411	100.0
436.27823	11.7
437.19250	4.3
455.20255	1.4
469.18399	2.0
479.20139	2.6
497.21405	1.4
575.41803	1.0
633.34363	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71048	0.2
56.49818	0.2
58.68218	0.2
67.05499	0.3
69.07044	0.3
80.57239	0.2
81.07066	0.3
85.02914	0.3
91.05466	0.4
93.07035	0.2
95.08623	0.4
105.07049	0.2
119.08532	0.2
131.08517	0.2
145.10127	0.3
153.06931	0.2
159.08040	0.3
159.11646	0.2
165.06961	0.3
167.07121	0.4
173.09599	0.5
179.08446	0.3
179.32892	0.2
182.07169	0.2
183.08125	0.2
191.08466	0.3
192.09293	0.4
193.10130	0.5
196.05251	0.2
197.05841	0.4
197.09477	0.2
201.09108	1.6
202.09862	1.7
203.08577	0.2
205.10185	0.4
207.08000	0.3
207.11737	0.4
208.08862	0.3
209.09656	0.9
210.06718	1.1
211.07504	1.1
211.11079	0.2
212.08292	0.4
213.05505	0.4
217.10019	0.3
219.08084	0.6
220.08804	1.3
221.05939	0.3
221.09563	1.0
222.06682	0.2
223.07539	0.4
223.11148	0.3
224.04570	0.2
224.08333	0.2
225.05484	0.4
225.09070	0.8
225.12636	0.2
226.06310	0.4
226.09663	0.2
227.06982	0.5
228.07797	0.3
231.08040	0.6
233.05974	0.3
233.09624	0.7
234.06705	0.7
234.10362	0.6
235.07521	0.7
235.11133	2.6
236.08368	0.3
236.11884	0.4
237.05324	0.2
237.09097	2.8
237.12598	0.3
238.06219	0.7
238.09808	0.8
239.06944	1.2
239.10646	0.8
240.07809	0.9
241.04947	0.8
241.08633	0.5
242.05647	0.2
243.06511	0.6
244.07253	0.2
245.09679	0.4
247.07556	1.1
248.08319	2.5
249.09100	3.7
250.06369	0.4
250.09790	0.7
251.06960	0.7
251.10669	2.0
252.07742	0.5
252.11469	1.9
253.08562	0.9
253.12106	0.7
254.09227	1.0
255.06598	0.3
255.09903	0.2
256.07352	1.7
257.08060	0.6
260.08221	0.2
261.09116	1.0
262.09906	0.8
263.07382	0.3
263.10678	6.1
264.07889	0.5
264.11322	2.0
265.08585	7.4
265.12067	0.9
266.06421	0.3
266.09305	1.7
266.12943	0.5
267.06549	0.5
267.10117	0.8
267.13794	1.6
268.07364	0.3
269.04614	0.2
269.08072	0.3
269.11740	0.6
270.08899	0.5
271.06958	0.2
271.09564	1.1
272.06812	0.2
276.07870	0.5
277.08591	8.2
278.09201	1.4
279.07053	0.3
279.10168	2.0
280.10922	8.2
281.08206	0.5
281.11624	2.9
282.08920	1.6
283.09448	0.4
284.06848	1.1
285.07474	0.8
285.10974	0.4
287.09198	0.4
290.09250	0.3
291.10098	2.0
292.10880	1.4
293.08069	2.8
293.11691	1.8
294.08832	2.0
294.12466	1.1
295.09698	0.9
295.13229	9.1
296.10687	0.3
296.13794	1.2
297.11185	2.3
298.11624	0.3
299.09256	2.2
300.10016	0.5
302.07828	0.4
307.09570	0.7
307.12823	0.2
308.10428	2.5
308.13687	0.3
309.11212	7.7
310.08340	0.4
310.11789	1.2
311.09009	0.4
311.12585	0.2
312.13672	0.4
313.10745	0.7
314.11542	0.4
317.10168	0.5
318.10944	0.5
322.11963	0.6
323.12756	8.2
324.13504	7.8
324.17429	0.3
325.10703	2.8
325.14252	1.5
326.11371	0.4
327.15958	1.1
331.11649	0.5
339.12280	0.2
340.13019	3.7
341.13489	1.0
345.13358	0.5
355.15375	100.0
356.15909	14.2
356.20551	0.2
357.16806	0.3
372.15512	0.4
387.17984	12.5
388.18491	0.9
478.91284	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84838	1.1
67.05498	1.8
69.07073	3.6
79.05521	2.0
81.07069	2.0
83.08648	2.1
107.08581	1.9
114.33501	1.3
120.34547	1.3
121.10154	1.1
133.10162	1.5
154.82100	1.4
178.72021	1.2
191.57802	1.4
192.09473	1.4
208.40732	1.4
211.07497	1.5
221.09637	2.0
227.06888	2.1
233.09637	1.8
235.11168	2.7
237.09148	2.6
238.09712	1.7
238.42413	1.5
239.07045	2.1
242.05710	2.2
243.06639	1.3
248.08154	1.4
249.09113	4.0
250.09839	1.7
251.10704	2.8
252.04160	1.7
253.08527	2.4
253.12366	1.9
255.06676	1.6
256.07379	3.5
257.08075	3.3
262.09698	1.7
263.10703	5.4
265.08633	5.1
265.12161	1.9
266.06012	1.8
266.09442	3.8
267.06598	4.1
267.10010	2.4
269.04660	2.2
269.11926	2.1
271.09656	1.9
277.08517	2.7
279.10233	5.0
280.07468	1.9
280.10934	3.7
281.08203	3.4
281.11731	9.8
282.12155	1.5
284.06805	7.9
285.07544	13.7
291.10196	4.4
292.10635	1.8
293.08014	3.9
293.11725	6.6
295.09872	2.9
295.13254	7.5
296.13895	1.8
297.11282	3.9
299.09088	6.6
300.09900	5.0
304.09576	1.4
307.09689	4.6
308.10425	3.7
309.11212	15.4
310.11703	2.5
312.13474	3.8
313.10617	1.8
314.11380	9.4
317.10294	1.4
322.11972	4.2
323.12701	11.2
324.13513	3.2
325.10794	4.6
325.14417	7.7
326.11542	3.6
327.15958	3.9
340.13019	10.3
341.13797	27.0
342.14301	2.0
344.79813	1.3
355.15402	68.5
356.16135	86.0
357.16736	6.4
359.18643	4.4
387.18018	100.0
388.18430	7.9
392.04611	1.3
513.88855	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
63.09663	1.7
63.13042	1.8
63.81277	2.0
67.05500	4.8
69.00995	6.5
69.01415	11.9
79.36559	2.2
81.07059	3.4
83.08617	3.8
91.05451	2.3
93.07039	2.4
95.08569	3.4
98.22598	3.7
105.07048	2.1
109.10186	2.1
119.08567	2.5
119.77202	2.2
121.10182	2.1
124.08221	1.9
154.06732	2.0
161.35605	2.0
235.11115	2.1
237.09137	3.2
249.08957	3.3
263.10678	7.2
265.08560	6.4
267.10626	2.2
277.08594	5.8
279.10117	3.5
280.10892	8.3
291.10107	2.3
292.10907	2.6
295.13287	9.5
299.09372	3.0
308.10425	2.9
309.11102	9.9
323.12741	7.6
324.13498	7.0
325.10944	2.8
355.11008	4.8
355.15384	100.0
356.16080	14.3
387.18011	22.5
412.18076	4.1
560.56152	2.7
632.39307	3.4
632.49432	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	32.5
64.24178	12.0
67.05515	48.6
69.07075	32.7
69.15210	88.6
79.05499	22.8
81.07051	50.3
83.04973	33.5
83.08618	13.5
91.05482	43.7
92.80368	9.5
93.07042	65.7
95.08620	62.5
97.10186	10.8
98.23109	41.7
105.07035	61.9
107.08612	45.0
109.10154	25.3
111.04421	11.0
111.08084	24.2
119.08582	61.6
121.10156	59.6
123.08039	12.5
129.06975	24.7
131.08560	28.5
133.10130	44.7
135.11697	20.8
139.07530	16.1
142.07866	11.7
143.08586	37.6
145.10110	36.9
147.11684	42.0
149.09552	12.2
149.13229	13.4
155.08556	32.0
157.10139	43.0
159.11685	36.7
161.09665	12.2
165.07071	12.5
167.08501	18.9
169.10133	44.9
171.11693	32.6
173.09633	16.2
181.10042	17.4
183.11690	31.2
185.13216	21.5
189.16400	12.1
193.10141	26.0
195.11627	24.6
197.13211	37.7
199.14789	15.6
201.12733	12.1
204.09222	10.0
207.11699	16.1
209.13231	18.8
211.14771	18.9
219.11751	18.3
219.13834	11.5
221.13252	21.0
221.15300	12.3
223.14841	26.2
225.12679	17.2
225.16386	17.0
227.14250	14.4
233.13235	20.2
234.15976	10.8
235.14839	15.9
237.16440	14.4
239.14459	18.8
239.17883	12.6
245.15527	19.2
247.14760	24.5
257.15366	18.6
265.16037	14.8
265.19339	13.7
281.18808	15.3
317.22729	17.0
331.91327	10.5
335.23697	22.9
365.24747	19.1
551.39362	22.6
561.37140	42.7
579.38208	100.0
580.38483	16.7
584.31921	12.1
597.39630	64.3
615.39905	15.1
633.40466	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	51.2
66.71980	17.8
67.05508	45.3
68.52016	17.1
69.07061	38.5
69.09386	100.0
69.09808	50.0
70.39623	17.1
71.50279	17.2
79.05496	29.5
81.07039	48.5
83.04984	35.7
91.05479	50.5
93.07046	58.8
95.08591	85.4
104.41116	16.8
105.07029	51.8
107.08572	34.5
107.69741	19.8
109.10110	19.8
111.08094	28.3
119.08600	49.2
121.10124	31.6
132.00606	18.0
133.10103	38.2
139.07520	20.0
145.10176	23.9
146.15611	15.9
147.08052	16.2
147.11691	42.0
155.08548	25.7
157.10158	34.6
159.07936	17.6
161.09677	23.1
165.09087	16.2
169.10178	32.7
171.11746	26.2
181.09991	19.8
183.11664	26.0
183.23334	17.2
195.11714	23.6
207.11662	21.4
209.13268	20.7
223.11267	19.1
227.14194	18.4
236.27676	18.3
239.14415	18.3
245.15372	17.7
265.15833	22.3
387.18112	20.6
387.93604	18.0
393.41672	19.5
579.37830	66.7
597.39227	43.8
632.35870	36.8
633.33765	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26454	0.4
69.14244	0.3
69.38672	0.3
70.06572	0.4
70.11604	0.3
71.04974	1.2
71.30592	0.7
72.08128	0.5
85.02890	1.4
91.05492	0.7
93.03438	0.4
98.23386	0.5
106.04188	1.0
112.80759	0.4
115.42741	0.4
121.06512	0.5
123.04440	0.8
125.05927	0.4
136.05257	0.4
137.05997	0.9
147.04382	0.7
149.05989	1.3
150.06265	0.5
151.07545	0.7
164.82835	0.4
165.05508	0.8
169.04735	0.4
169.27661	0.4
177.05466	0.8
179.07004	2.3
180.07382	1.3
181.04974	0.9
181.08647	0.7
185.04292	1.3
187.05795	0.7
200.35410	0.4
209.08124	4.7
210.08447	2.2
225.07558	3.1
226.05833	0.4
226.07924	1.5
324.02420	3.4
325.03091	1.7
331.09991	15.7
361.04071	3.1
379.05276	1.2
403.05142	0.5
456.45697	0.4
487.07748	1.1
633.14105	100.0
634.14459	10.5
634.24420	0.6
636.22687	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26454	0.4
69.14244	0.3
69.38672	0.3
70.06572	0.4
70.11604	0.3
71.04974	1.2
71.30592	0.7
72.08128	0.5
85.02890	1.4
91.05492	0.7
93.03438	0.4
98.23386	0.5
106.04188	1.0
112.80759	0.4
115.42741	0.4
121.06512	0.5
123.04440	0.8
125.05927	0.4
136.05257	0.4
137.05997	0.9
147.04382	0.7
149.05989	1.3
150.06265	0.5
151.07545	0.7
164.82835	0.4
165.05508	0.8
169.04735	0.4
169.27661	0.4
177.05466	0.8
179.07004	2.3
180.07382	1.3
181.04974	0.9
181.08647	0.7
185.04292	1.3
187.05795	0.7
200.35410	0.4
209.08124	4.7
210.08447	2.2
225.07558	3.1
226.05833	0.4
226.07924	1.5
324.02420	3.4
325.03091	1.7
331.09991	15.7
361.04071	3.1
379.05276	1.2
403.05142	0.5
456.45697	0.4
487.07748	1.1
633.14105	100.0
634.14459	10.5
634.24420	0.6
636.22687	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1727
Annotation	Pyranoamentoflavone 7,4'-dimethyl ether
Peak:m/z	Relative Intensity
53.03942	0.9
55.05512	29.9
56.05864	0.9
61.76782	0.6
69.02896	6.7
69.03297	1.2
80.59562	0.8
83.04980	36.8
91.05452	0.7
91.81324	0.7
93.45418	0.6
105.03470	0.8
107.08591	0.7
251.03609	0.8
263.07281	1.2
269.04480	0.8
276.07684	0.9
277.05014	1.3
277.08505	0.8
278.05804	0.9
279.06607	1.5
292.07312	1.4
293.08270	0.9
294.05347	0.9
294.08719	0.8
303.06461	0.9
305.04434	1.1
305.07999	1.1
307.06076	1.0
307.09518	1.5
309.07532	1.0
309.11075	0.7
313.07019	1.7
319.06018	1.4
321.07495	1.2
323.08807	1.0
335.09177	2.3
336.09891	0.8
337.10645	1.1
349.07407	0.8
350.07889	1.4
364.09537	1.3
365.10168	2.8
367.11725	1.8
377.10321	1.5
381.09604	1.0
395.11307	2.6
519.10413	2.0
534.11890	0.8
573.20758	1.4
601.20605	0.8
633.17249	100.0
634.17572	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	0.7
69.07082	0.5
69.44138	0.4
69.51917	0.5
91.05508	0.4
95.08615	1.0
97.10178	0.5
165.06975	0.5
167.07079	1.0
182.07330	0.6
183.08121	0.7
195.08022	0.5
197.09531	0.6
202.09787	0.5
210.06810	1.4
211.07590	2.1
215.07091	0.7
220.08932	0.7
221.09535	0.5
225.05649	0.6
225.09038	2.0
226.06181	0.5
226.09613	0.5
227.07013	0.8
233.09694	0.7
235.11229	0.7
237.09108	1.0
238.06287	0.7
239.07068	1.5
240.07776	1.2
241.04974	0.7
241.08563	0.5
242.05646	0.6
242.09442	0.7
243.06494	1.3
244.07072	0.6
247.07503	0.6
248.08414	1.0
249.09140	1.4
250.09860	0.8
251.10715	0.7
252.11424	0.9
253.08603	2.1
254.09361	0.9
255.06618	1.2
256.07318	2.0
257.08014	1.3
258.08908	0.9
263.08121	0.7
263.10532	3.2
264.11514	0.7
265.08658	2.8
265.12076	0.7
266.09372	1.2
267.06546	1.4
267.13965	0.9
268.07330	0.7
269.08081	0.9
270.08896	1.5
271.06323	0.7
271.09717	2.5
272.06833	1.2
277.08636	2.6
278.09277	0.8
279.10281	1.5
280.08069	0.7
280.10794	2.7
281.11609	1.5
282.08875	0.6
283.06259	0.7
283.09598	0.8
284.06848	1.4
285.07791	1.0
285.11194	1.6
286.08469	1.1
287.09262	1.1
291.10184	2.0
292.10995	1.2
293.08157	2.1
293.11728	1.3
294.09052	0.6
295.10196	0.9
295.13324	5.1
296.13959	1.4
297.07840	0.8
297.11282	1.5
298.08463	1.0
299.09174	5.0
299.12408	0.7
300.09821	1.0
301.07156	0.6
302.07758	0.7
303.08722	1.8
304.09512	0.6
307.09708	0.7
308.10495	1.5
309.11212	4.3
310.08450	0.9
310.12018	0.5
311.09186	0.5
312.13559	0.5
313.10739	3.7
314.11441	0.9
316.09338	1.1
317.10214	2.3
318.10956	3.9
322.12164	0.5
323.12793	7.7
324.13504	4.3
325.06894	10.6
325.10733	2.0
325.14127	0.9
326.07202	0.7
327.12250	0.6
327.15924	1.8
331.11902	0.9
338.15305	1.1
340.09259	4.5
340.13181	2.3
341.13788	1.2
344.12338	0.7
345.13287	1.0
348.13632	0.6
352.09250	0.7
355.15384	9.3
356.16107	4.2
357.16895	0.8
363.11987	12.2
364.12302	1.2
372.15710	1.1
377.13452	0.7
378.14346	4.3
379.11392	1.3
379.15579	1.1
387.17996	4.6
389.59195	0.5
394.13953	1.2
409.16199	30.7
410.16632	2.9
450.19113	0.6
455.29285	0.5
633.33929	100.0
634.34290	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.1
63.14948	0.5
66.40188	0.5
67.05497	1.4
69.07081	1.3
69.26947	1.3
69.27359	2.6
70.75259	0.5
77.19052	0.5
79.05499	0.6
81.07063	1.9
83.08651	0.6
91.05492	1.3
93.07073	1.2
94.21530	0.6
95.08594	1.2
97.10141	0.7
98.22741	1.6
105.07049	1.5
107.08585	0.8
111.08026	0.6
119.08583	1.4
120.14449	0.5
121.10179	0.6
123.62258	0.5
127.04000	0.5
131.08539	0.7
145.10150	0.8
159.08173	0.9
167.07072	1.5
170.34637	0.5
183.08107	0.7
191.10693	0.9
201.09047	0.5
207.11717	0.6
209.09831	0.6
210.06816	1.3
211.07556	3.4
213.05624	0.7
215.07011	0.7
219.08165	0.7
219.10133	1.0
220.08893	1.3
221.05826	0.7
221.09695	0.9
223.07596	0.8
224.08119	0.7
224.75583	0.5
225.05635	0.7
225.09145	3.5
226.06291	0.8
227.07086	1.6
229.05049	0.9
235.11281	1.0
237.09167	2.2
238.06313	1.4
239.06966	2.9
239.10654	0.6
243.06638	1.5
243.10223	0.8
244.19574	0.5
247.07674	1.0
248.08362	1.6
249.09163	2.0
251.07175	0.7
251.10774	1.0
252.07919	1.1
252.11478	1.2
253.04936	1.3
253.08517	4.9
254.05859	0.7
254.09016	0.8
255.06528	2.2
255.10146	0.8
256.07352	2.3
257.08035	1.3
262.09848	0.8
263.10678	3.9
264.11285	1.1
265.08640	4.6
265.12076	1.0
266.09351	1.5
267.06552	4.4
267.10132	0.8
267.13889	2.0
268.07297	1.0
269.08215	0.8
269.11795	0.8
270.09003	1.7
271.06192	0.6
271.09738	2.3
272.06772	0.7
273.07642	0.8
277.08636	2.2
277.11835	0.7
278.09454	0.6
279.07065	0.6
279.10223	2.0
280.07727	1.0
280.10809	4.4
281.08142	4.9
281.11612	2.8
282.08923	2.1
284.06757	3.4
285.07648	3.1
285.11224	1.7
287.05881	0.8
287.09204	2.5
289.07196	1.3
291.10126	2.7
292.10837	2.7
293.08090	2.9
293.11407	1.1
294.09042	1.2
294.12369	0.9
295.09653	1.6
295.13208	10.0
296.13983	1.2
297.07758	1.1
297.11295	3.2
297.14224	0.6
298.08319	2.1
298.11548	0.8
299.09082	6.6
299.12329	0.8
300.09796	1.2
301.07162	1.0
301.10556	0.7
302.07935	1.5
303.08585	4.6
304.09378	6.8
308.10458	2.4
309.11203	5.5
310.08603	0.6
310.12018	0.8
312.13583	2.0
313.10654	7.0
313.13998	0.9
314.11374	1.8
316.09399	1.2
317.10062	3.7
318.10974	7.0
319.11636	1.0
323.12738	11.3
324.13501	4.4
325.07288	0.8
325.10788	2.8
325.14267	1.6
326.11365	1.4
326.15274	0.7
327.12387	1.0
327.15915	3.6
329.10312	1.2
330.10907	1.1
331.11847	3.2
332.12317	0.8
338.15097	0.7
339.12250	1.1
340.12994	3.3
341.13696	3.1
343.12018	0.8
345.13205	3.5
347.09000	0.8
355.11032	0.9
355.15411	18.6
356.16010	8.2
357.13211	1.3
358.13879	0.9
362.11227	1.0
363.12039	4.0
372.15662	2.1
377.13507	4.1
378.14374	3.0
379.11124	0.8
379.15320	1.3
387.17990	12.8
388.18253	1.1
394.13998	0.8
409.16205	23.7
410.16656	2.0
633.33911	100.0
634.23712	1.0
634.34290	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	13.0
55.01853	5.7
55.05513	32.1
57.07084	6.6
65.03947	7.3
67.05507	62.6
69.03436	7.0
69.07066	27.7
71.30322	7.4
74.76138	4.7
79.05490	53.8
81.07055	69.2
83.04978	25.7
83.08636	8.9
91.05475	68.9
93.07046	100.0
95.01283	4.9
95.04975	16.2
95.08604	99.2
97.06541	5.9
103.05475	9.0
105.03395	11.3
105.07032	81.2
107.04967	10.1
107.08598	78.4
109.06535	12.6
109.10142	40.4
111.04504	7.5
111.08105	11.1
115.05501	6.0
117.07036	20.6
119.08572	56.1
121.06527	14.5
121.10148	52.1
123.08092	20.0
123.11710	21.3
127.38809	5.2
128.06201	10.0
129.07034	13.9
131.08563	42.6
133.06523	7.6
133.10138	68.4
135.08037	14.7
135.11694	49.2
139.07533	5.6
139.11182	8.8
141.06970	5.6
141.09068	6.6
142.07776	13.1
143.08571	39.0
145.06499	6.5
145.10121	39.8
147.08075	17.7
147.11638	33.3
148.89299	5.2
149.09628	9.0
149.13278	11.6
155.08557	24.0
156.09360	10.7
157.06616	5.3
157.10101	42.5
159.11690	34.4
161.09682	18.7
161.13303	13.9
163.11189	11.5
165.06985	8.0
165.09157	10.2
166.07695	4.7
167.08548	22.1
168.09389	5.8
169.10155	32.8
170.10869	7.7
171.08020	9.1
171.11707	27.8
173.09628	9.9
173.13283	20.3
175.11165	11.0
179.08566	11.2
180.09305	7.4
181.10165	17.8
182.10728	5.7
183.10268	6.6
183.11699	30.8
184.07349	5.3
185.09627	7.2
185.13310	19.4
187.11194	10.7
187.14885	16.6
189.12740	9.4
191.08594	8.6
192.09323	5.9
193.10123	18.2
194.10970	8.6
195.11665	23.1
195.14586	5.3
197.09717	11.7
197.13322	24.1
199.11201	8.9
199.14825	8.8
201.12666	5.7
202.15962	6.7
203.08624	7.4
205.10162	13.5
206.10858	8.4
207.11725	19.7
208.12355	10.0
209.09674	10.7
209.13292	19.3
211.11215	9.6
211.14888	17.5
213.12924	5.0
213.16484	11.2
215.14427	5.1
217.10181	10.2
217.12227	5.8
218.10933	6.2
219.11734	15.1
220.12497	5.7
221.13258	20.0
221.15289	7.7
223.11252	9.0
223.14882	17.3
225.16322	9.9
226.05527	4.3
230.10738	5.7
232.12419	5.4
233.13297	12.2
234.13921	8.0
235.11163	10.1
235.14886	19.8
237.16380	12.8
239.14345	8.3
241.15800	6.4
243.11731	6.9
245.09688	6.1
245.13254	11.1
246.13988	8.5
247.11057	6.1
247.14828	13.5
249.12750	7.8
249.16440	15.0
251.14299	10.1
251.17880	7.7
253.19452	7.4
257.13272	9.4
259.14801	10.7
261.12759	8.4
261.16443	9.7
263.14316	8.5
263.17999	6.3
265.19565	10.4
270.14093	5.2
273.12976	4.6
273.16351	7.7
275.14496	6.6
275.17935	6.4
277.19537	7.4
281.19183	5.2
287.17862	7.9
289.16040	10.9
289.19415	7.9
291.17438	6.8
291.20880	8.5
295.20386	6.3
300.13712	6.8
302.15897	4.9
303.17395	13.0
303.20898	10.0
305.22562	5.8
317.19177	6.3
329.19009	9.7
329.22614	7.4
331.20508	7.0
331.24164	7.1
333.21909	9.0
355.15427	18.7
365.24728	6.4
383.25790	10.2
387.18069	8.8
443.25760	14.0
457.31314	10.5
459.32352	14.2
461.26880	21.4
535.35730	6.3
537.37140	6.2
551.38751	20.3
561.36871	15.0
569.39783	6.4
579.38251	60.3
580.38605	11.4
597.39398	50.8
598.40271	8.8
615.40161	18.6
627.23730	5.5
633.41119	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	13.0
55.01853	5.7
55.05513	32.1
57.07084	6.6
65.03947	7.3
67.05507	62.6
69.03436	7.0
69.07066	27.7
71.30322	7.4
74.76138	4.7
79.05490	53.8
81.07055	69.2
83.04978	25.7
83.08636	8.9
91.05475	68.9
93.07046	100.0
95.01283	4.9
95.04975	16.2
95.08604	99.2
97.06541	5.9
103.05475	9.0
105.03395	11.3
105.07032	81.2
107.04967	10.1
107.08598	78.4
109.06535	12.6
109.10142	40.4
111.04504	7.5
111.08105	11.1
115.05501	6.0
117.07036	20.6
119.08572	56.1
121.06527	14.5
121.10148	52.1
123.08092	20.0
123.11710	21.3
127.38809	5.2
128.06201	10.0
129.07034	13.9
131.08563	42.6
133.06523	7.6
133.10138	68.4
135.08037	14.7
135.11694	49.2
139.07533	5.6
139.11182	8.8
141.06970	5.6
141.09068	6.6
142.07776	13.1
143.08571	39.0
145.06499	6.5
145.10121	39.8
147.08075	17.7
147.11638	33.3
148.89299	5.2
149.09628	9.0
149.13278	11.6
155.08557	24.0
156.09360	10.7
157.06616	5.3
157.10101	42.5
159.11690	34.4
161.09682	18.7
161.13303	13.9
163.11189	11.5
165.06985	8.0
165.09157	10.2
166.07695	4.7
167.08548	22.1
168.09389	5.8
169.10155	32.8
170.10869	7.7
171.08020	9.1
171.11707	27.8
173.09628	9.9
173.13283	20.3
175.11165	11.0
179.08566	11.2
180.09305	7.4
181.10165	17.8
182.10728	5.7
183.10268	6.6
183.11699	30.8
184.07349	5.3
185.09627	7.2
185.13310	19.4
187.11194	10.7
187.14885	16.6
189.12740	9.4
191.08594	8.6
192.09323	5.9
193.10123	18.2
194.10970	8.6
195.11665	23.1
195.14586	5.3
197.09717	11.7
197.13322	24.1
199.11201	8.9
199.14825	8.8
201.12666	5.7
202.15962	6.7
203.08624	7.4
205.10162	13.5
206.10858	8.4
207.11725	19.7
208.12355	10.0
209.09674	10.7
209.13292	19.3
211.11215	9.6
211.14888	17.5
213.12924	5.0
213.16484	11.2
215.14427	5.1
217.10181	10.2
217.12227	5.8
218.10933	6.2
219.11734	15.1
220.12497	5.7
221.13258	20.0
221.15289	7.7
223.11252	9.0
223.14882	17.3
225.16322	9.9
226.05527	4.3
230.10738	5.7
232.12419	5.4
233.13297	12.2
234.13921	8.0
235.11163	10.1
235.14886	19.8
237.16380	12.8
239.14345	8.3
241.15800	6.4
243.11731	6.9
245.09688	6.1
245.13254	11.1
246.13988	8.5
247.11057	6.1
247.14828	13.5
249.12750	7.8
249.16440	15.0
251.14299	10.1
251.17880	7.7
253.19452	7.4
257.13272	9.4
259.14801	10.7
261.12759	8.4
261.16443	9.7
263.14316	8.5
263.17999	6.3
265.19565	10.4
270.14093	5.2
273.12976	4.6
273.16351	7.7
275.14496	6.6
275.17935	6.4
277.19537	7.4
281.19183	5.2
287.17862	7.9
289.16040	10.9
289.19415	7.9
291.17438	6.8
291.20880	8.5
295.20386	6.3
300.13712	6.8
302.15897	4.9
303.17395	13.0
303.20898	10.0
305.22562	5.8
317.19177	6.3
329.19009	9.7
329.22614	7.4
331.20508	7.0
331.24164	7.1
333.21909	9.0
355.15427	18.7
365.24728	6.4
383.25790	10.2
387.18069	8.8
443.25760	14.0
457.31314	10.5
459.32352	14.2
461.26880	21.4
535.35730	6.3
537.37140	6.2
551.38751	20.3
561.36871	15.0
569.39783	6.4
579.38251	60.3
580.38605	11.4
597.39398	50.8
598.40271	8.8
615.40161	18.6
627.23730	5.5
633.41119	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	27.5
57.03410	1.3
67.05505	5.5
69.49213	1.2
70.55777	2.6
73.82030	1.0
79.05456	0.9
80.89429	0.9
83.04981	39.9
88.69566	1.1
89.06023	1.4
90.66932	1.0
91.05534	1.2
95.08617	1.3
105.07027	1.6
109.10173	2.6
119.08606	1.5
145.10190	1.1
163.11275	1.9
164.32503	1.0
165.07033	2.7
166.07845	1.2
167.07184	1.1
167.08554	1.5
178.07828	1.2
179.08609	2.3
181.06560	1.4
191.08641	1.4
193.06487	2.1
194.07271	3.5
195.08012	1.8
197.05954	1.4
202.06230	1.4
205.06578	2.6
207.08002	2.8
208.08505	1.1
209.06064	1.4
209.09618	3.6
211.07584	2.3
212.04666	1.4
218.07155	1.2
219.08034	2.5
221.06047	4.3
222.06779	5.8
223.07581	3.1
225.05453	2.7
225.09119	2.3
226.06232	1.1
229.14375	3.1
231.15138	1.1
233.05980	1.9
234.06763	3.3
235.07530	5.0
236.04788	1.3
236.08237	3.5
237.05464	2.9
237.09146	4.9
238.06190	1.8
239.06973	2.8
240.04160	11.6
240.07913	1.5
243.02870	2.9
247.07523	4.1
248.08052	1.6
249.05469	3.9
249.09094	1.6
250.06239	12.5
251.06999	7.2
252.04341	1.2
252.07767	3.4
253.04990	4.5
253.08589	4.1
254.05794	1.9
254.09300	1.7
255.06415	1.3
255.10205	2.7
261.05487	1.2
262.06110	2.7
263.07034	5.9
264.04590	1.0
264.07794	6.1
265.05054	4.8
265.08609	26.4
266.05746	5.0
266.09030	3.1
267.06549	7.6
267.10056	1.8
268.03714	2.8
268.07220	1.8
269.04364	1.9
269.08032	2.1
271.05939	2.5
275.07080	2.2
276.07956	2.2
277.05029	2.4
277.08655	2.7
278.05746	8.5
278.08768	1.1
279.06497	7.8
279.09616	1.8
280.07233	7.2
281.08057	12.9
282.05350	1.3
282.08716	3.5
283.06104	3.4
283.09689	3.6
283.15378	3.4
286.04691	9.9
291.06412	5.5
292.07254	7.5
293.04706	2.8
293.08023	35.7
294.08649	4.4
295.06018	6.4
295.09607	7.7
296.06921	2.7
296.10144	1.6
297.07562	4.5
297.11200	4.4
299.05682	5.4
301.07071	21.4
302.07642	1.8
304.07272	1.7
305.08136	2.7
306.05301	1.6
307.05945	7.4
307.09711	3.7
308.06848	11.3
309.07483	9.4
310.08197	3.9
311.05463	4.7
311.09137	9.5
312.06247	2.3
313.07144	1.5
313.10541	3.2
314.07864	3.9
315.08588	2.2
320.06741	3.9
321.07596	15.9
322.08392	6.1
323.05399	4.5
323.09067	25.4
323.12512	0.9
324.06464	2.1
324.09854	4.4
325.07071	4.9
325.10712	10.8
326.07846	4.8
327.08633	11.1
328.09402	1.9
329.10303	3.3
335.05405	1.5
335.08990	2.0
336.06073	1.5
337.06952	3.7
337.10764	2.9
338.07883	6.3
339.08435	6.3
340.09232	3.5
341.10159	18.6
342.10730	1.2
343.07645	1.6
343.11761	27.3
350.07895	1.5
351.08643	8.1
352.09375	3.4
353.06555	3.1
353.10190	39.5
354.10791	5.1
355.11740	27.1
356.12363	1.9
365.10190	9.4
368.08820	3.2
371.11121	7.8
383.11240	100.0
384.11417	7.6
401.12320	13.8
437.25363	4.6
483.16364	2.5
486.12100	1.4
573.25488	1.3
635.28333	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.3
54.42205	1.5
55.05513	34.7
57.03436	2.3
57.08633	1.6
67.05509	23.4
69.07050	1.8
79.05489	6.4
81.03402	2.4
81.07056	8.3
83.04987	40.1
83.08629	4.1
85.02909	1.9
91.05466	4.9
93.07040	6.1
95.05011	1.8
95.08613	6.5
99.93407	1.5
105.07034	3.4
107.05025	2.4
107.08610	4.0
109.10169	21.2
110.39767	1.6
113.60718	1.6
117.07023	1.7
119.08578	3.8
121.10123	2.2
133.10045	1.9
135.11728	7.4
138.14044	1.5
145.10106	4.7
160.03822	1.4
163.11176	13.5
165.06947	2.8
169.06421	1.8
173.11726	5.3
181.12280	2.1
194.07277	3.0
195.08075	2.2
205.06506	5.2
206.07367	2.7
207.07953	3.2
209.09662	3.0
210.06795	1.7
211.14977	1.6
219.08299	2.9
221.05965	4.1
222.06821	7.6
223.07510	4.6
224.08385	1.9
225.09106	3.0
227.12785	11.8
229.14354	29.1
233.06062	1.9
234.06723	3.5
235.07588	3.9
236.08455	2.3
237.09082	5.8
238.06129	2.4
239.06989	4.9
240.04158	10.3
243.03046	2.2
245.78072	1.6
247.07465	3.6
249.05583	4.2
250.06248	16.9
251.06895	8.2
252.07849	3.8
253.04959	4.8
253.08650	4.1
255.06606	2.0
255.10246	3.0
262.06213	3.8
263.07135	5.5
264.07922	8.3
265.04907	5.9
265.08588	26.2
266.05615	3.0
266.09363	2.0
267.06552	7.5
268.03662	3.0
269.04388	3.0
275.06995	2.9
277.05148	2.6
277.08371	3.8
278.05658	8.0
279.06509	7.0
280.07303	7.0
281.05157	1.8
281.08017	8.6
282.05203	1.7
282.08871	2.5
283.05933	2.6
283.09448	2.8
283.15363	18.0
286.04691	12.8
291.06451	5.1
292.07336	5.9
293.04657	2.9
293.08041	39.6
294.05118	1.7
294.08588	5.6
295.06015	8.3
295.09634	7.4
297.07501	6.4
297.11069	4.0
299.05594	4.2
301.07071	22.4
305.08020	2.7
307.05923	6.2
307.09607	4.1
308.06708	12.1
309.07755	7.7
310.04861	2.2
310.08340	4.0
311.05460	4.7
311.09143	8.3
312.06177	3.5
313.10767	3.7
314.07861	7.8
315.08768	2.2
320.06851	3.8
321.07565	12.6
322.08359	5.9
323.05444	4.1
323.09055	27.3
324.06290	2.6
324.09851	4.6
325.07095	6.1
325.10739	9.6
326.07715	3.2
327.08621	13.8
329.09988	4.6
333.07623	2.5
333.24786	1.6
334.08295	1.9
335.09094	2.7
337.07010	3.2
337.10663	3.4
338.07877	6.1
339.08517	8.0
340.09311	3.6
341.10184	13.1
343.11792	14.1
350.07880	2.5
351.08621	10.5
352.09308	3.2
353.06644	2.8
353.10193	37.4
354.10623	3.6
355.11737	31.3
365.10226	10.8
368.08914	4.5
371.11218	7.0
383.11230	100.0
384.11557	7.8
401.12213	11.5
426.13177	1.6
437.25385	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.5
57.55864	2.2
62.20285	2.3
65.03960	3.4
67.05495	3.3
69.03444	4.6
69.35112	2.5
69.63766	13.0
74.25201	2.7
78.47842	2.2
79.05497	5.9
81.07059	28.5
83.04961	18.4
91.05487	12.1
93.07050	4.9
95.04978	9.5
95.08609	7.7
97.02916	6.8
98.23319	2.7
99.04442	2.5
103.05484	3.1
105.07040	10.6
107.04986	6.2
107.08627	3.1
109.06530	22.1
111.04444	9.7
111.08126	4.7
115.05514	3.9
116.06174	2.1
117.07041	3.7
119.04977	12.7
119.08584	4.8
121.06535	7.2
123.04470	6.2
123.08094	10.9
128.06293	2.3
129.07019	6.9
129.35048	2.5
131.04970	8.0
133.06506	15.4
135.08072	4.9
137.05980	42.4
139.03981	3.2
139.07555	2.6
139.09338	2.8
141.07048	3.0
143.08549	5.4
145.06514	25.8
145.10152	3.9
147.04451	11.1
147.08080	7.4
149.05971	6.9
151.07555	9.1
155.08635	5.0
157.05003	4.8
157.06538	4.9
157.10211	3.0
159.08078	8.8
161.05989	24.7
161.09631	2.7
163.07555	6.1
165.07016	2.9
167.08618	4.9
169.06482	5.1
171.08029	16.1
173.06053	3.0
175.07561	3.5
177.05479	7.2
177.09100	4.9
178.05843	2.7
179.07086	24.1
179.08629	6.4
181.10150	5.1
183.08044	11.5
185.09633	4.4
187.07504	3.3
190.07877	3.1
191.08559	4.7
192.09418	2.5
193.10167	6.9
195.08041	7.1
195.11594	2.8
197.09697	8.4
199.07510	13.7
202.07762	5.4
203.08620	7.3
205.10205	8.0
207.08092	3.5
207.11671	3.1
209.09633	7.5
209.13199	2.6
210.10219	2.7
211.07562	4.0
211.11185	5.4
217.10141	4.6
219.08131	7.6
219.11722	5.7
220.08836	4.7
221.09709	10.1
221.13264	3.7
222.10480	3.7
223.11256	6.0
227.10753	2.9
231.08060	11.2
231.11720	3.1
232.08807	5.9
233.09651	10.3
233.13382	4.2
234.10327	2.9
235.11183	16.5
236.11844	5.7
237.09042	4.8
237.12756	9.7
239.10703	4.0
245.09665	8.5
246.10426	9.2
247.11188	6.3
247.14906	3.6
248.08621	3.5
248.11765	3.1
249.09142	4.2
249.12801	8.1
251.10788	3.6
251.14369	6.1
257.13370	4.1
259.11429	3.5
260.12067	7.0
261.12811	10.5
262.13477	2.9
263.10767	14.5
264.11465	4.0
265.12250	3.3
265.15894	4.4
267.10101	3.0
273.12781	3.1
274.13440	3.6
275.10925	2.2
275.14273	15.7
276.14987	3.1
277.12286	5.7
277.15802	5.2
279.10092	5.2
279.13654	6.1
281.11829	8.5
283.13452	2.6
285.12692	6.7
289.12524	4.7
289.15976	3.5
291.10190	18.8
291.13477	4.2
293.15372	8.4
303.13770	11.8
305.11694	5.8
309.11368	2.9
317.15350	4.7
321.14871	8.2
323.12784	17.5
335.16388	3.8
345.14929	4.5
351.12384	8.4
363.15900	6.4
373.17950	8.1
375.19730	3.3
381.16934	9.5
383.15488	5.1
391.18829	13.6
401.17551	37.5
402.18185	4.5
417.20630	7.3
419.18506	100.0
420.19000	12.7
433.19843	2.9
435.21671	11.3
437.19608	34.2
443.18518	9.6
451.21231	4.8
461.19601	41.3
462.19791	4.6
479.20569	43.4
480.20874	4.3
497.21698	14.6
498.21674	3.2
521.21777	4.6
539.22668	10.8
578.57391	2.5
582.19312	2.5
635.25262	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08998	2.7
51.19288	2.9
51.35447	2.6
55.05505	10.6
60.83025	2.7
69.20808	22.3
83.04961	6.1
95.08620	5.6
98.22604	6.7
103.28133	2.8
105.07037	5.9
191.08575	3.4
194.07201	5.2
195.08102	5.3
209.05811	3.5
221.05919	3.9
222.06776	6.2
223.07622	3.8
225.05476	4.3
226.06230	4.0
233.06081	3.5
237.05443	6.6
237.09093	6.5
239.07014	7.3
240.07788	4.9
241.08559	6.0
243.06793	3.1
250.06210	11.9
251.07014	5.3
252.07666	5.3
253.04970	3.6
253.08443	4.1
254.05676	14.8
255.06494	5.4
263.06998	5.7
264.07703	5.7
265.04959	3.0
265.08569	22.5
266.05737	5.3
267.06433	8.0
268.07248	6.0
269.08041	12.1
271.05887	6.4
277.08380	3.1
279.06506	6.6
280.07217	6.2
281.08078	7.8
282.05258	6.8
283.06125	5.7
284.06802	12.2
293.08154	15.8
295.09634	6.7
296.06729	7.0
297.07642	15.8
298.08212	11.3
299.09070	12.3
300.06223	11.8
301.07050	4.0
305.08002	3.5
308.06781	8.3
309.07474	12.0
310.08258	4.9
311.08984	14.9
313.10422	4.4
314.07782	7.8
315.08624	41.4
322.08154	4.7
323.09085	27.4
324.09744	8.5
325.07028	7.6
325.10730	7.7
327.08649	11.0
329.10175	12.3
337.10794	4.4
339.08609	7.8
340.09323	7.7
341.10150	30.0
342.07162	5.3
342.10922	32.5
343.11600	11.1
351.08609	6.6
355.11746	100.0
355.15366	3.8
357.09683	28.2
358.10300	19.7
365.10135	4.0
366.10825	9.9
369.13409	18.1
371.11197	18.7
373.12885	10.2
397.12772	61.8
398.12930	3.3
415.13879	19.0
445.37933	3.1
572.58514	3.3
576.11371	3.4
598.20654	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
55.05500	9.9
58.99571	3.6
67.05495	17.6
69.03423	6.3
69.23383	24.2
79.05500	7.7
81.07046	9.9
83.04979	24.0
91.05489	18.0
93.07043	22.1
95.04957	4.8
95.08600	23.6
98.23409	6.2
102.42440	3.0
105.07018	18.8
107.08583	12.9
109.06507	4.1
111.04445	15.1
111.08084	11.5
115.05407	4.3
117.07024	9.8
119.08578	17.1
121.06499	3.7
121.10141	6.4
123.08022	5.0
128.06224	8.3
129.07010	12.6
131.08571	19.3
133.06528	3.8
133.10147	11.3
135.08066	5.2
137.05937	4.3
139.07552	5.2
141.06992	7.1
143.08603	17.7
145.10156	20.6
147.08031	4.7
147.11729	6.5
154.07753	7.1
155.08572	24.4
156.09268	5.5
156.74796	3.4
157.10097	18.0
159.08054	4.5
159.11707	9.4
161.09641	5.4
161.13211	3.3
165.07042	10.8
167.08551	8.8
169.10167	20.4
171.08018	9.0
171.11681	14.1
173.09602	15.7
175.11176	5.2
179.08578	8.2
181.10101	14.6
183.11671	9.4
185.09695	6.5
185.13153	4.4
187.11232	11.6
189.12848	5.0
191.08664	6.3
191.10812	3.2
192.09323	8.9
193.10176	15.4
195.08035	4.0
195.11664	19.9
197.09628	8.1
197.13348	5.3
199.07584	4.8
199.11174	14.1
201.12761	8.2
204.09329	4.5
205.10068	9.7
206.10829	4.7
207.11699	22.7
208.12407	5.2
209.09657	4.9
209.13260	12.1
211.11214	8.6
211.14931	4.3
213.12752	7.6
215.10635	6.2
217.10135	7.6
219.11668	15.1
219.13641	6.0
220.12407	5.2
221.13268	27.3
223.11214	12.0
223.14816	10.5
224.19386	3.3
225.12796	7.0
227.10548	3.8
229.10106	8.1
231.11699	12.5
232.12482	4.5
233.13210	11.5
235.11128	8.9
235.14876	4.9
237.12794	9.9
239.10704	8.8
241.12297	11.7
243.11647	8.2
244.12401	6.8
245.13232	17.1
245.15533	4.9
246.13850	7.3
247.11076	5.9
247.14902	17.7
249.16353	11.8
257.13177	4.3
258.13885	9.3
259.14880	20.6
260.15686	5.9
261.12677	7.9
261.16373	14.6
263.14304	5.1
265.12323	7.7
267.13889	11.9
267.17325	4.3
269.13104	5.1
273.16312	13.2
274.17041	7.0
275.14377	7.4
275.17960	9.4
277.15964	9.2
279.17200	4.8
281.13177	4.3
285.16309	8.1
286.16995	5.6
287.17813	6.1
289.06622	3.6
289.15857	6.3
291.17465	7.6
299.14633	4.6
299.17960	6.5
300.18878	3.9
301.16025	8.0
301.19330	6.3
309.18561	28.4
314.20245	3.5
315.17422	5.4
317.15424	6.2
317.19171	3.5
319.16922	10.8
327.17349	9.6
337.18057	4.9
341.28549	3.4
345.18488	8.4
347.19962	5.4
349.21878	6.8
396.23123	4.0
397.21713	4.1
397.46545	3.9
399.23187	8.7
413.24615	15.6
415.26416	12.0
417.24265	9.9
423.23093	12.5
431.25793	11.8
433.27597	18.1
434.27847	5.8
441.24121	37.6
449.26474	4.7
456.55612	3.2
459.25287	77.9
460.25757	5.9
477.26361	100.0
478.26639	10.9
491.22311	8.9
495.27014	5.0
509.23453	5.0
580.27063	13.5
589.20728	6.2
598.28363	54.4
599.28473	7.0
615.07861	3.4
616.29260	19.0
635.20831	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94508	1.3
55.05508	5.5
66.31932	1.7
67.05499	9.6
69.03421	4.9
69.07067	2.0
70.58197	1.1
71.04985	1.7
79.05502	6.4
81.07049	5.7
83.04986	17.7
86.00665	1.4
91.05489	12.2
93.07058	17.8
95.04930	2.4
95.08611	15.6
105.07037	14.4
107.05029	2.1
107.08582	9.1
109.06529	2.1
109.10159	3.4
111.04444	11.0
111.08064	7.3
112.06392	1.5
115.05434	1.7
117.07021	5.5
119.08578	15.3
121.06489	4.9
121.10118	4.2
122.02735	2.0
123.08064	4.7
128.06265	3.5
129.07011	7.6
130.07819	2.0
131.04932	1.7
131.08556	11.5
132.01151	2.5
133.06532	1.6
133.10135	12.3
135.08032	4.3
135.11705	2.9
137.05943	2.3
139.07518	5.4
141.07001	5.6
141.09061	1.5
142.07773	4.6
143.08562	14.6
144.09352	1.9
145.10139	17.1
146.63989	1.2
147.08038	5.0
147.11668	6.4
149.09671	2.0
152.06177	1.4
153.06990	3.7
153.09062	1.3
154.07765	2.3
155.08580	15.5
156.09274	3.8
157.06512	2.5
157.10168	12.8
159.08047	3.0
159.11668	8.7
160.12128	1.3
161.09615	3.9
165.07047	4.6
166.07816	1.5
166.25525	1.3
167.07201	1.9
167.08592	6.8
168.09297	2.1
169.10159	15.5
171.08086	3.4
171.11674	10.6
172.08875	1.9
173.09610	17.9
173.13193	2.1
175.11194	5.3
178.07648	2.7
179.08640	6.8
180.09370	3.3
181.08714	2.0
181.10123	10.4
182.10876	3.0
183.06586	1.2
183.08064	2.6
183.11691	8.2
184.08659	1.5
185.09683	3.7
185.13206	2.3
187.11180	12.8
189.09016	1.6
189.12727	3.3
191.08566	4.7
191.10626	1.5
192.09370	6.0
193.10110	11.6
194.10822	3.6
195.11699	13.7
196.08942	2.0
196.12401	1.6
197.09552	6.5
197.13283	5.7
198.10425	1.4
199.07535	2.5
199.11201	5.1
199.14966	1.3
201.09096	1.7
201.12769	4.3
203.08611	2.9
204.09334	2.2
204.39938	1.3
205.10130	5.2
205.12155	1.9
206.10979	7.5
207.11708	16.8
208.12160	2.5
209.09746	2.6
209.13231	10.7
211.11226	9.0
211.14754	2.0
213.09169	2.3
213.12753	5.5
215.08696	3.0
215.10683	5.3
217.10217	6.6
218.10881	3.1
219.10080	1.6
219.11752	13.1
220.12468	4.0
221.09837	1.8
221.13254	30.1
222.10339	1.9
222.13748	2.4
223.11270	8.4
223.14873	7.9
225.12756	7.9
227.10689	1.5
227.14365	2.1
229.10139	5.8
230.10872	4.7
231.11699	10.0
232.12390	5.0
233.13341	10.0
234.13962	2.3
235.11090	3.5
235.14827	4.1
237.12633	6.3
239.10686	10.0
239.14337	4.9
241.12318	6.0
243.11703	7.0
244.12424	5.8
245.13164	10.9
245.15343	1.5
246.13994	6.0
247.11162	2.3
247.14844	14.6
248.12184	1.4
249.12842	4.6
249.16368	4.0
251.14418	2.3
253.12349	2.6
255.11604	2.4
255.13959	3.2
256.12509	3.3
257.13214	6.2
258.14044	5.9
259.14862	16.6
260.12106	1.4
260.15536	3.4
261.12875	2.7
261.16409	9.1
263.14359	3.3
263.17984	1.5
265.12268	6.4
267.13962	6.5
268.12247	1.6
269.13116	3.4
270.14008	2.5
271.11011	2.0
271.14758	6.1
272.15518	4.2
273.13641	1.6
273.16241	9.7
274.13913	1.4
274.17175	4.8
275.14322	3.7
275.17935	9.8
276.18671	1.6
277.12677	1.5
277.15829	3.9
277.19333	1.6
279.13959	1.6
284.15579	2.1
285.13376	1.5
285.16299	8.3
286.13593	1.6
286.16925	2.4
287.14343	4.0
287.17822	5.6
289.15933	3.3
289.19437	4.1
291.13907	3.4
291.17294	2.9
293.15445	2.2
296.15466	1.8
297.16162	1.9
299.17896	6.1
300.18417	2.5
301.15836	5.1
301.19547	6.4
302.16574	1.8
303.13843	1.9
303.17413	4.2
303.20837	2.5
305.15359	4.1
309.16074	2.0
313.15921	2.0
313.19424	1.4
315.17502	2.8
316.21869	2.7
317.15417	3.9
317.19061	3.8
319.16971	10.4
327.17407	4.3
329.19055	1.9
331.16830	2.5
331.20316	2.0
345.18640	12.5
347.20151	2.1
349.21597	3.6
359.20062	2.2
360.20767	2.6
381.21881	2.5
395.23386	3.5
399.23340	6.3
405.22049	1.5
413.24799	12.3
415.26303	11.0
416.26199	1.6
417.24673	8.7
423.23264	12.1
431.25897	11.0
433.27347	6.4
441.24304	26.4
442.24622	3.6
459.25302	100.0
460.25751	9.5
475.23389	1.5
477.26404	70.5
478.26831	7.2
491.22388	5.5
495.27350	1.5
534.26208	1.9
580.27295	37.2
581.27460	5.0
598.28265	49.0
599.28534	5.0
616.29303	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85491	0.8
50.94898	0.7
53.03937	2.2
53.18019	0.7
55.01873	5.6
55.05511	12.5
57.03436	13.9
57.07058	1.0
59.05001	5.6
59.23841	0.7
61.02927	5.8
65.03951	1.5
65.33634	0.8
67.05505	79.0
69.03422	2.4
69.06452	3.6
69.06847	1.4
69.07103	4.4
71.01358	1.0
71.04986	5.3
73.02901	1.7
74.09734	1.3
79.05492	13.8
81.03420	10.1
81.07061	22.7
83.01341	6.2
83.04977	9.9
83.08621	13.0
85.02895	8.5
85.06535	3.2
91.03958	2.5
91.05479	13.1
92.05762	1.0
93.07043	19.8
94.07391	1.0
95.04972	4.8
95.08598	9.1
97.02889	4.4
97.06537	4.3
97.10165	1.6
99.04478	3.1
105.07038	7.7
107.04980	5.7
107.08595	11.6
109.06540	4.9
109.10152	76.0
110.10490	2.5
110.29949	0.9
111.04429	2.0
111.08100	4.9
117.07016	6.3
119.08569	11.2
121.06516	2.3
121.10132	7.0
123.08076	7.4
127.11200	0.8
129.06972	1.0
131.08578	2.2
133.10146	1.4
135.08028	1.9
135.11684	7.2
137.09602	5.1
143.08502	1.2
145.10143	11.8
147.08026	1.3
153.12732	1.7
155.08572	1.4
155.10674	4.9
163.11171	20.6
173.09583	1.8
173.11729	19.0
181.12207	2.6
191.10617	1.8
203.90213	0.8
209.11624	5.4
227.12761	2.8
229.14340	89.3
230.14650	4.3
283.15393	77.5
284.15796	3.8
372.58130	0.8
437.25320	100.0
438.25748	7.7
477.31390	1.0
635.28882	1.1
657.53278	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	15.8
57.28785	7.0
67.05497	31.6
69.03408	6.6
69.07066	16.2
69.32751	15.6
69.33158	32.3
75.54343	7.3
79.05489	24.5
81.07066	43.9
82.07395	8.0
83.04961	12.7
83.08614	10.3
85.02892	14.9
91.05458	25.5
93.07056	50.8
95.04992	11.1
95.08610	100.0
97.06481	11.0
100.09212	6.3
105.07047	41.3
107.08598	55.3
109.10170	58.8
111.08039	8.7
117.06998	8.4
119.08591	44.8
121.10169	57.3
123.11694	30.0
127.03918	7.7
131.08540	18.2
133.10159	40.6
135.11696	36.6
139.72411	7.0
145.10132	26.6
147.11690	43.6
149.09587	9.0
149.13266	13.8
159.11700	38.4
161.09616	9.2
161.13261	54.3
173.13274	19.9
175.14850	11.5
178.74028	6.7
178.93088	7.2
184.07370	8.9
187.14801	18.1
189.16345	22.5
201.16356	23.4
203.17986	22.3
205.15842	8.3
217.16066	9.1
219.17424	8.0
235.16847	26.7
247.16956	11.7
339.26895	7.1
409.34680	15.5
419.32977	13.7
437.28445	10.0
437.34128	97.4
438.34482	15.8
439.18530	7.4
455.35263	74.8
456.35400	16.9
475.03671	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89166	3.2
53.03945	3.0
53.55584	2.6
55.05511	10.1
57.07092	3.8
67.05206	3.0
67.05513	17.0
69.07075	5.3
69.67743	14.5
70.42683	2.8
71.08622	3.2
79.05499	8.8
81.07052	25.2
83.05003	5.3
83.08617	4.3
85.02921	9.7
89.06033	8.3
91.05494	11.3
93.07038	21.7
95.04979	5.7
95.08602	37.6
96.08953	2.6
97.02907	3.7
105.07036	27.8
107.08595	23.3
109.10149	33.5
117.07014	6.0
119.08577	26.0
121.06509	4.0
121.10144	24.1
123.08090	3.8
123.11743	14.2
125.09627	2.8
128.71532	2.6
131.08559	9.4
131.10260	3.0
133.08632	4.2
133.10136	30.1
135.11719	17.0
143.08560	3.5
145.10098	17.8
147.07990	4.5
147.11694	17.7
149.13255	8.1
157.10161	4.3
159.11726	21.0
161.09644	3.5
161.13260	32.8
171.11691	5.5
173.13277	15.4
175.14850	10.5
177.16489	4.7
186.29095	2.8
187.14847	22.9
189.16330	16.3
199.14865	4.5
201.16402	24.8
203.17973	25.6
213.16518	4.6
215.14505	3.1
215.18045	6.1
217.15700	4.9
217.19513	4.1
219.17505	3.3
227.18025	2.8
233.15372	4.3
235.16946	8.4
247.16965	6.3
265.91467	3.1
268.72122	3.1
329.24747	6.7
341.13660	3.1
355.15234	6.4
356.16013	7.3
364.12970	6.4
387.17920	12.9
395.14960	11.2
409.34433	5.1
419.32950	5.3
437.34149	100.0
438.34497	8.2
455.35172	21.9
634.40295	13.0
635.39612	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
53.35979	0.8
55.05515	13.2
66.93372	0.8
67.15071	0.7
80.09123	0.8
83.04982	18.9
91.05552	1.0
95.04871	0.8
95.43021	0.8
98.22449	1.6
99.04471	3.6
105.03408	1.9
105.06963	0.9
108.04842	0.8
117.70576	0.8
127.03942	1.4
132.05695	1.5
133.12825	0.8
139.77289	0.9
159.32083	0.8
197.53354	0.8
202.79929	1.0
207.10194	1.9
222.06776	0.9
230.36372	1.1
237.09155	1.5
251.07076	1.5
263.07037	2.2
264.07816	1.0
265.05133	1.4
265.08392	1.1
266.05994	1.3
277.08582	1.5
279.06546	2.3
280.07324	1.6
293.08087	1.7
294.08923	1.2
295.06134	1.2
295.09521	1.8
297.07465	1.9
299.79105	0.8
308.06927	1.5
309.07825	1.9
311.05823	1.0
311.09335	1.7
323.09131	7.7
324.09799	1.3
325.07187	1.3
325.10590	1.7
326.07797	0.9
327.08481	0.9
337.10751	1.9
339.08627	1.5
339.12338	1.9
344.46561	0.9
355.11874	2.0
367.11911	2.4
369.13245	1.0
379.12366	1.0
397.12671	4.5
505.96231	0.8
535.13544	7.3
536.13739	1.3
635.18872	100.0
636.19147	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	16.6
69.63146	5.8
75.64165	1.4
81.16902	1.2
83.04986	18.0
88.37316	1.2
91.05489	2.8
95.04990	1.4
99.04463	5.0
105.03400	2.8
105.06981	2.2
107.08591	1.6
110.88489	1.1
119.08607	1.3
123.08053	1.1
127.03925	1.7
132.05734	1.7
133.10193	1.4
137.02365	1.3
145.10117	1.5
148.97717	1.3
179.08514	1.5
195.08128	1.9
195.36694	1.2
207.08026	1.3
207.10123	1.9
213.46030	1.3
218.07426	1.3
250.06291	1.3
251.03575	1.6
253.05069	1.6
263.06982	2.8
265.04852	2.9
265.08713	2.9
266.05731	1.5
267.06589	2.7
269.08374	1.4
277.08578	2.7
279.06644	2.7
280.07281	3.0
281.08203	2.9
283.05975	1.6
291.06580	1.6
291.09793	1.6
293.08020	3.5
295.06213	2.6
295.09662	2.6
297.07663	2.7
305.08182	1.5
308.06531	2.2
309.07626	2.4
319.09671	2.3
323.09274	6.5
325.06964	2.1
335.09174	1.6
337.10712	2.2
339.08627	1.6
340.09424	1.6
351.12326	2.1
355.11615	1.8
397.12878	5.7
445.48788	1.5
535.13702	8.6
577.97638	1.3
598.23737	1.5
635.18854	100.0
635.35535	3.9
636.19086	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04079	0.9
50.08706	0.8
53.60238	0.8
55.05512	13.6
68.99813	0.8
69.71799	0.8
71.30602	1.6
81.07069	1.3
82.71413	0.7
83.04981	14.0
99.04449	5.5
102.55058	0.9
105.03417	1.4
105.07061	1.1
118.20423	1.0
119.08606	1.3
127.03928	2.4
132.05725	1.8
137.02324	0.9
147.08044	1.3
171.94472	0.8
175.04022	1.0
181.10214	0.8
182.59254	0.9
209.05905	1.1
217.01312	1.2
237.05429	0.9
249.05362	1.2
249.09178	1.0
250.06316	1.8
251.03568	1.3
251.06888	1.9
252.04306	1.0
254.05795	1.4
255.06573	0.9
263.07062	2.1
264.07895	1.2
265.05017	1.5
265.08701	2.0
266.05936	1.0
277.08417	1.4
278.09195	1.0
279.06610	2.7
279.10004	1.3
280.07361	2.3
281.07944	1.3
291.06818	1.3
293.04587	1.0
293.08087	2.0
294.05310	1.0
294.08972	1.3
295.06247	1.3
295.09769	2.8
297.07669	2.6
305.08081	1.9
307.06146	1.5
307.09628	1.6
308.06818	2.0
308.10339	0.9
309.07605	1.1
311.05606	0.9
311.09097	1.3
315.08569	1.0
319.09442	1.3
323.09079	7.1
324.10092	1.1
325.07111	2.1
325.10648	1.5
326.07898	1.6
337.10855	2.2
339.08670	1.4
339.12332	1.4
347.09613	1.1
351.12256	1.3
355.11844	2.8
365.10287	2.4
367.11874	1.3
369.12717	1.0
397.12814	3.5
439.27545	0.9
535.13715	8.8
635.18817	100.0
636.19159	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.4
61.18242	4.6
67.05499	5.8
69.33892	29.9
71.04995	34.0
73.64774	4.5
79.05506	6.3
81.07066	7.7
90.30499	4.1
91.05492	10.3
91.17306	3.7
93.07023	5.4
99.04449	69.9
105.03384	9.1
105.07048	8.3
119.05015	4.6
119.08601	8.7
121.06431	4.5
123.87845	4.4
127.03915	23.2
132.05702	10.6
134.22112	5.0
147.08058	6.8
180.85309	4.0
194.07256	4.6
197.05844	4.4
207.10150	34.0
222.06886	8.4
223.03986	5.6
223.07484	4.2
235.07506	7.6
237.05373	5.6
237.09024	7.9
239.03362	6.1
241.04947	7.7
249.05470	9.8
250.06142	9.5
251.03438	16.5
251.07137	11.7
252.04138	9.1
252.07903	8.2
253.08479	5.7
255.06592	7.2
262.06216	4.8
263.07028	12.5
264.07849	9.8
265.04962	14.1
265.08533	17.7
266.05801	12.6
267.03015	5.8
267.06400	8.3
268.07166	8.6
269.04620	7.6
269.07959	6.6
277.08499	10.1
278.05396	5.7
279.06519	13.9
280.04172	4.8
280.07068	23.2
281.04639	7.7
281.08060	13.6
282.05157	8.5
283.01749	4.6
283.05704	5.9
285.07550	7.7
290.05679	5.9
291.06476	12.5
292.07346	24.2
293.04428	12.6
293.07993	14.1
294.05157	15.3
294.08685	9.2
295.06305	8.5
295.09662	13.8
296.06735	5.8
297.07541	63.1
298.08200	4.7
299.05414	7.1
305.07990	10.3
307.06070	8.2
307.09348	5.9
308.06812	22.9
309.07471	12.7
310.08267	5.8
311.05508	26.4
311.08865	8.6
312.09851	7.0
313.07080	14.4
314.08014	7.4
321.07596	12.4
322.08359	30.1
323.09088	100.0
324.09717	28.6
325.06927	15.8
325.10760	18.1
326.07803	30.7
327.08591	11.3
327.12244	5.8
328.09277	12.8
329.10202	8.0
333.07651	6.5
337.07089	8.3
337.10657	16.4
338.11343	6.2
339.08667	10.8
339.12375	9.9
340.09344	14.2
342.11108	6.5
348.09927	12.4
349.06982	4.9
349.10818	6.1
353.10211	75.1
354.10858	8.5
355.11728	73.0
357.09497	22.7
365.10117	10.3
366.11002	10.3
367.11850	19.9
369.13211	17.6
379.11639	21.3
382.10626	9.5
397.12820	49.7
456.13943	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84133	1.1
53.03941	3.0
55.01884	1.7
55.05512	80.2
67.05492	3.8
69.03419	2.0
69.15984	2.4
69.16394	6.7
75.04485	1.8
78.00510	1.6
79.05489	4.5
81.03419	2.6
81.07061	2.7
83.04984	100.0
84.05321	1.4
85.02934	1.8
89.41753	1.2
91.05492	5.5
93.07045	4.2
95.04967	3.4
95.08598	1.7
98.23354	1.6
103.05493	1.5
105.03402	7.8
105.07010	4.5
107.04963	2.3
107.08611	1.6
109.06546	1.6
117.07065	1.9
119.08553	1.9
129.07042	1.6
132.05688	2.3
133.10172	2.1
135.08057	3.7
155.46045	1.4
163.07561	3.1
164.08353	2.1
165.06810	1.5
193.08612	3.0
194.06996	1.4
195.06496	5.3
195.08237	2.0
195.10146	7.5
199.04135	1.4
206.07317	1.4
207.07974	2.3
209.06073	1.3
211.07411	1.5
219.08022	1.6
221.05934	3.2
222.06609	1.8
223.09665	6.1
224.08360	1.5
226.06264	1.8
233.06015	2.9
234.06714	1.7
235.07516	3.6
237.05429	3.9
237.09001	2.2
238.06253	2.1
239.03384	2.7
239.06967	1.6
240.04123	2.9
241.04900	2.1
241.10658	6.8
248.04753	1.7
249.05492	4.5
249.09291	2.0
250.06229	2.8
251.03394	3.8
251.07054	4.1
252.04234	4.0
252.07780	1.9
255.06537	2.7
256.07483	2.1
262.06247	4.0
263.07040	6.3
264.07745	1.6
265.04926	6.0
265.08356	2.8
266.05719	7.7
267.03091	1.6
267.06244	2.3
268.07285	3.5
269.04483	2.2
269.08200	3.3
270.05060	1.7
276.07782	2.0
277.04828	3.6
277.08307	2.8
278.05634	2.5
279.06607	7.6
280.03937	1.3
280.07214	1.9
281.08099	5.0
282.05237	4.0
283.06140	7.0
284.06644	1.5
287.09186	3.8
289.04565	1.7
290.05737	2.2
291.06424	7.1
292.07251	6.0
293.04367	3.8
293.08023	8.0
294.05191	3.7
294.08749	2.0
295.05927	3.6
295.09573	2.6
296.06595	3.3
297.04193	2.4
297.07516	24.3
298.04865	1.8
298.07947	2.2
299.05554	2.5
301.07040	1.6
304.07343	2.9
305.08075	4.7
307.05939	5.8
307.09674	5.7
308.06708	4.2
309.07559	25.3
309.10889	2.4
310.08203	3.5
310.67520	1.4
311.05704	1.8
311.09213	5.3
313.07117	10.8
314.07742	3.1
315.08658	5.3
319.05930	3.7
320.06677	5.3
321.07507	10.4
322.08258	2.1
323.09128	10.8
325.06949	3.6
325.10669	5.3
326.07693	2.4
328.09424	2.6
329.10135	4.3
333.07529	4.1
334.08414	7.5
335.05511	1.9
335.09091	5.8
336.06027	1.7
336.09766	1.8
337.06918	3.6
337.10706	3.5
339.08591	4.9
340.09454	4.9
341.10120	5.1
343.08102	1.7
349.07059	2.1
350.07813	4.3
351.08694	11.2
352.09314	4.2
353.06320	2.1
353.10205	17.5
355.11642	4.3
357.09723	11.2
363.08646	3.4
364.09253	3.3
365.06235	2.0
365.10254	23.4
367.11752	2.8
377.10147	7.4
378.10245	1.5
381.09604	2.4
383.11313	15.2
385.12540	2.2
395.11349	13.9
413.12134	2.1
426.16644	1.7
635.29608	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.5
55.05515	22.1
67.05518	4.3
70.23038	4.2
70.23392	13.9
79.05511	4.1
81.07043	7.5
83.04984	14.3
88.40705	3.4
91.05485	9.5
93.07047	9.6
95.08604	5.4
99.04450	36.0
105.03372	9.5
107.08628	4.3
119.04958	12.6
119.08611	7.4
121.06512	8.5
127.03902	19.3
129.07002	4.7
132.05710	16.0
135.11656	4.3
137.02357	4.0
143.08588	4.8
147.08055	4.7
165.07040	6.1
179.10680	5.2
189.09190	6.7
195.06548	6.2
195.08138	4.7
199.03938	5.0
207.08310	6.1
207.10123	32.8
213.05565	4.9
221.06081	5.4
221.11670	24.0
222.06747	6.1
225.05566	4.9
225.09181	7.3
227.07092	5.1
235.07668	7.0
237.05504	7.1
237.09154	10.5
239.03426	16.9
240.04211	8.9
241.05034	4.4
249.05510	6.8
251.03394	34.3
251.06967	14.1
252.04176	10.5
253.04794	7.3
253.08658	8.5
255.06360	6.6
262.06357	8.0
263.07108	10.2
264.07791	9.9
265.05005	14.0
265.08572	16.4
266.05826	26.2
266.08456	4.5
267.02994	9.0
267.06348	10.0
267.10309	4.4
269.04422	9.2
269.08005	5.7
270.05267	5.9
277.05396	4.0
277.08533	6.0
278.05899	5.9
279.06522	18.3
280.04459	4.1
280.07224	22.0
281.04514	10.7
281.08051	16.4
282.05246	11.5
283.06064	6.1
287.09094	5.6
290.06073	4.9
291.06488	9.7
292.07346	17.3
293.04718	8.2
293.08066	20.1
294.05099	13.0
294.08597	8.5
295.05936	12.2
295.09662	18.8
296.06821	6.7
297.04117	5.8
297.07568	100.0
298.04776	9.8
298.07916	7.5
305.07990	10.2
307.06122	8.4
307.09473	4.0
308.06757	13.1
308.10117	5.3
309.07587	11.9
310.08102	5.4
311.05533	19.0
311.08862	7.9
313.07156	23.5
313.10291	5.2
315.08438	4.4
321.07559	13.8
322.08395	25.9
323.09116	82.5
324.09760	20.7
325.07343	7.4
325.10690	15.5
326.07791	25.2
326.11099	4.6
327.08588	9.6
333.07544	7.3
337.07129	5.5
337.10803	16.0
339.08594	6.7
340.09393	9.9
341.10199	5.8
342.11023	44.4
347.09290	3.9
348.09756	10.0
351.12378	6.9
353.10205	59.8
354.10895	7.3
355.11765	49.5
365.10101	8.2
366.11020	10.8
367.11871	11.7
369.09354	4.3
369.13428	19.2
379.11826	13.3
382.10550	6.3
397.12982	30.2
413.12106	4.3
488.63345	3.9
515.22644	4.2
519.16235	4.9
624.72498	4.6
635.20050	13.5
635.28143	9.3
635.36298	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.1
55.05507	46.1
63.32470	4.8
65.15813	4.5
67.05506	6.8
68.32795	4.5
69.52771	17.9
72.96703	4.4
77.73749	5.1
83.04990	33.0
83.76847	5.0
105.03386	33.9
145.06561	6.4
162.37961	4.8
163.18636	4.4
182.07257	6.4
193.05034	6.8
211.07568	6.1
217.04970	43.9
223.07495	7.0
224.04657	7.6
225.05479	9.9
226.06400	6.6
237.05518	13.6
238.06192	7.8
239.07043	13.6
240.04175	11.4
249.05327	7.2
251.07034	11.0
252.04210	10.4
253.04971	7.5
254.05873	6.7
255.06575	11.7
265.04843	7.7
266.05881	7.3
267.02972	10.1
267.06564	19.2
268.03781	7.3
268.07010	6.9
269.04468	18.4
269.07880	8.5
270.05267	7.7
277.04990	5.7
278.05707	10.9
279.06491	26.3
280.03714	7.0
280.06934	6.0
281.04453	40.2
281.07825	8.4
282.01782	5.3
282.05154	12.1
283.06006	7.3
283.09299	6.3
291.06851	6.6
292.07358	9.6
293.08075	17.3
294.05634	6.1
294.08762	9.5
295.06134	28.4
295.09177	6.2
296.06781	17.0
297.03983	31.2
297.07568	23.1
298.04779	22.3
301.06946	7.9
307.06271	10.9
309.07620	20.9
310.08383	14.0
311.09238	17.0
312.06201	26.8
313.07056	100.0
314.07538	10.4
321.07584	47.2
322.08344	18.0
323.05670	10.5
323.09045	9.8
325.07104	37.0
325.10544	8.9
326.07809	8.2
327.08630	19.8
338.07852	9.9
339.08612	24.2
340.09317	55.7
341.10178	21.2
353.10175	50.5
354.10593	7.2
355.08133	34.7
355.11697	9.4
356.08829	52.3
367.11646	17.8
371.11295	14.5
383.11267	19.3
385.12747	10.9
395.11359	11.1
413.12445	9.0
498.00546	5.7
621.77637	5.6
635.37360	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17096	0.6
54.94397	0.5
61.05811	0.5
66.03482	0.6
69.07058	0.9
69.16750	4.6
71.54417	0.5
81.07031	1.2
91.05472	0.7
93.07047	1.2
94.51749	0.7
95.08603	1.3
98.22672	1.5
121.10166	0.6
122.43935	0.6
131.08562	0.7
135.11617	0.7
155.61319	0.6
163.83881	0.6
172.69624	0.8
237.13860	0.8
258.44659	0.6
280.11142	0.7
325.06796	1.2
340.09003	0.8
355.15161	1.1
363.11804	0.7
389.17468	1.3
401.17999	0.7
402.18045	1.2
403.19052	2.5
404.19678	1.0
405.20663	2.3
409.16052	3.3
413.18585	0.7
415.19543	0.8
416.20313	1.1
417.16089	1.1
417.21555	3.3
418.21323	2.0
419.22195	1.9
429.16449	0.9
430.17780	2.0
431.17960	5.7
432.19070	1.8
433.23746	2.7
443.18274	1.2
445.20035	6.9
446.20724	2.6
447.21661	0.9
453.74832	0.8
459.17050	1.1
459.22601	2.8
460.22794	3.9
461.23685	3.9
473.19019	1.1
475.21033	0.8
487.20676	0.9
488.22021	2.9
489.22910	5.1
490.23697	0.7
501.22711	1.0
502.23383	0.8
515.24573	1.2
517.22418	1.0
519.26910	0.9
532.24280	1.3
533.24707	0.7
547.27606	6.7
548.26923	1.1
575.26526	20.3
576.26306	2.8
607.29688	1.3
635.28229	100.0
636.28619	16.3
636.38239	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2863
Annotation	Shizukaol M
Peak:m/z	Relative Intensity
67.05512	0.9
69.07056	0.6
79.05506	0.4
81.07063	1.0
91.05480	0.6
93.07059	0.8
95.08605	0.8
98.22986	2.1
109.67789	0.4
119.08577	0.7
145.92368	0.4
202.16589	0.4
221.10680	0.4
237.13863	0.5
310.13235	0.4
374.25739	0.4
387.16229	0.9
388.16568	0.8
389.17584	2.3
390.18607	0.8
391.19193	0.5
393.89383	0.4
400.17575	0.7
401.17670	1.0
402.18512	1.7
403.19257	5.3
404.19986	2.7
405.20676	2.4
415.14600	2.1
415.19565	1.6
416.16174	1.8
416.20175	1.8
417.16803	3.1
417.21637	6.5
418.21893	3.6
419.22305	6.4
420.22903	0.6
429.16568	2.5
430.17502	6.4
431.18060	10.2
432.19321	4.0
432.23578	2.3
433.18771	0.7
433.24326	6.9
434.24689	1.6
443.18420	2.6
444.19073	3.5
445.19916	18.4
446.20724	6.9
447.21539	5.5
457.20279	1.2
458.21497	2.6
459.21826	12.6
460.22617	15.3
461.23395	10.7
462.23932	1.1
463.21234	0.5
471.21799	0.5
472.22751	0.8
473.24457	2.4
474.24393	0.7
475.21338	0.7
476.21973	0.5
477.22800	1.2
478.23569	0.5
487.20544	0.4
487.26013	0.7
488.22107	0.9
489.22562	1.5
490.23834	0.5
491.24298	1.2
492.25235	0.8
501.22302	0.5
504.25232	0.5
505.22806	3.4
515.24255	1.1
516.21814	0.6
517.22443	1.7
518.23419	1.5
519.23279	5.8
520.23419	0.5
531.23950	3.9
532.24677	1.5
533.25360	1.7
546.26331	3.0
547.27020	23.1
548.27637	3.5
559.23804	0.7
563.24878	0.5
575.26404	2.6
577.24396	2.9
578.25220	1.5
579.28937	0.5
591.26031	4.8
592.26257	0.9
605.27185	0.8
606.18304	0.8
606.28314	20.6
607.29095	37.0
608.29285	5.2
617.27179	0.7
617.43304	0.5
635.28613	100.0
636.28931	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.8
53.03946	7.5
55.05513	5.4
57.98588	1.2
59.05014	1.3
67.05498	1.4
69.18627	1.3
73.72142	1.1
75.41132	1.0
77.03915	1.5
79.05480	1.6
81.03429	1.6
81.07052	1.9
83.01340	1.3
83.04970	7.0
83.08636	1.0
91.05475	1.7
93.07042	2.0
95.04974	9.2
95.08578	2.0
98.23351	2.9
105.03392	100.0
105.04543	4.8
105.07041	1.9
106.03716	3.1
107.08586	1.7
115.07582	1.3
121.06517	2.6
129.05457	1.3
131.08568	1.2
140.15970	1.1
141.09064	1.2
157.10162	2.0
169.08607	1.4
175.03960	1.6
179.83052	1.0
189.07076	1.1
197.05971	1.2
201.09103	1.2
202.07799	1.1
203.07083	2.2
204.09315	1.2
207.08160	1.9
213.05482	1.5
219.08141	1.7
225.05435	1.5
226.06216	2.1
227.07059	1.8
231.08076	1.8
233.09622	1.3
233.13451	1.6
234.10326	1.8
235.07564	1.4
239.07039	2.5
240.07787	1.8
241.08508	2.2
241.48015	1.0
243.12709	1.1
246.10417	1.8
247.07562	1.9
247.11153	1.6
248.08244	1.2
249.05496	1.9
249.09200	1.3
251.06982	1.5
253.04932	4.5
253.08537	1.7
254.05548	1.2
255.06468	1.2
259.11246	2.6
261.09097	1.7
261.12814	1.3
262.06293	1.8
262.10001	2.4
263.07077	4.2
264.04379	1.0
264.07779	2.9
265.05316	1.5
265.08530	4.8
267.06583	5.2
268.07239	1.7
275.06940	1.3
275.10641	1.1
276.07813	2.9
277.08548	5.1
277.12302	2.2
278.09348	3.1
279.06442	3.1
279.10135	3.5
281.08054	7.3
283.09781	2.1
287.07187	1.3
287.10522	2.2
288.07626	1.6
289.08560	4.9
289.11957	2.1
290.09348	5.4
291.06757	2.0
291.10080	17.9
292.10770	8.1
293.08060	2.7
293.11673	2.8
295.06000	4.4
295.09500	1.9
301.08521	1.1
302.09186	2.2
303.06921	1.4
303.10196	4.7
304.10760	2.1
305.08014	4.2
305.11542	2.4
306.08914	2.3
307.06201	1.3
307.09641	2.4
307.13162	2.0
308.06714	1.3
309.07587	2.0
309.11093	1.2
313.12250	1.1
315.08896	4.4
317.08252	1.7
317.11755	6.3
318.08615	2.9
318.12305	2.3
319.09668	3.2
319.13220	2.5
320.10452	3.0
321.11160	1.7
322.08197	1.4
322.11920	2.6
323.09067	4.4
323.12576	1.5
324.09711	2.3
329.11731	2.1
330.08841	2.1
331.09641	2.1
331.13388	1.3
332.06607	1.2
332.10355	2.3
333.11081	6.4
334.11844	1.9
335.09055	2.2
335.12836	8.4
343.13281	1.8
344.10242	1.5
345.11230	12.1
346.11780	2.3
347.09122	1.3
347.12677	5.8
349.10590	1.7
349.14441	1.9
355.11563	1.4
355.15320	1.9
359.12500	2.0
361.14465	3.1
363.12323	7.2
365.13821	7.9
371.12753	1.7
373.09933	1.2
377.13882	3.4
379.15475	8.3
387.12225	2.7
389.13800	3.8
391.11523	6.5
395.15005	12.0
397.12723	8.1
403.15305	7.3
405.13422	3.3
409.12531	1.4
419.15015	5.9
421.16483	13.4
422.16620	1.4
423.14301	11.3
424.14578	2.2
437.11816	13.5
465.15240	5.9
466.15948	1.4
497.18286	1.5
499.17499	3.9
527.17090	1.4
537.17133	5.7
636.37213	1.3
637.21350	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	21.7
67.05494	1.6
71.08627	3.6
80.46051	1.4
83.04978	27.0
84.85623	1.5
89.06039	5.8
90.06349	1.5
91.05486	2.5
92.05817	1.5
93.07056	1.4
95.04982	1.8
105.03387	5.9
119.08624	2.2
127.16505	1.3
133.08600	2.8
165.06970	1.9
167.08566	1.9
173.13385	1.4
179.08560	2.8
182.07277	6.1
184.07382	3.6
188.08330	3.3
195.08023	2.6
197.09604	4.6
203.10713	5.6
210.06737	11.9
223.07657	2.5
224.08315	1.8
225.09103	29.4
226.09477	1.9
235.07706	2.3
238.06178	9.1
239.06943	1.8
240.07774	4.2
242.09351	3.0
251.07071	2.7
252.07761	3.0
253.08565	27.8
253.10968	2.7
255.10130	2.5
266.05701	4.3
267.06549	2.5
268.07257	6.8
269.08185	2.5
270.08881	3.5
277.08698	2.2
278.09430	2.9
281.08078	52.6
282.08524	4.8
283.09634	5.1
285.04004	2.5
285.07645	2.0
285.11002	3.5
293.08340	1.7
293.11731	3.4
296.06839	2.0
297.07501	4.1
298.08456	3.5
300.06177	2.8
301.06906	2.1
307.09595	1.8
311.09149	32.1
312.09799	5.2
313.07202	2.1
313.10626	12.3
315.08563	8.7
317.06396	1.8
323.12680	1.8
328.09323	4.3
336.10181	1.6
337.10757	2.2
343.11768	100.0
344.12122	6.7
351.12338	7.2
352.12894	3.8
383.14871	20.4
400.11563	2.0
425.15881	3.4
491.20969	2.2
577.23907	3.9
636.41522	7.1
637.26245	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.32
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	9.8
57.03434	3.2
57.07071	3.9
67.05503	14.1
69.03407	2.0
69.07061	6.2
69.35644	1.6
79.05495	7.7
81.07076	11.0
83.04997	2.4
83.08642	3.0
85.02919	1.8
85.06547	21.5
86.00638	3.0
91.05514	9.2
93.07062	13.1
95.04986	2.3
95.08613	25.1
97.06547	2.1
97.10140	2.2
100.11257	3.5
105.07045	13.5
106.15610	2.0
107.08593	19.1
109.06532	3.8
109.10145	4.2
111.08166	1.9
113.06004	7.5
117.07008	5.7
119.08587	22.5
121.06502	3.4
121.10153	7.0
123.08080	5.4
123.11725	4.5
125.09618	2.7
128.06233	4.5
129.06990	6.9
131.08580	11.8
132.01169	2.4
133.10115	13.6
135.08052	5.4
135.11688	10.5
141.07008	5.0
141.09079	5.7
142.07797	5.6
143.08542	13.5
145.10114	17.4
147.08078	3.1
147.11658	8.4
149.09634	2.6
153.06996	2.8
154.07799	4.2
155.08549	19.6
156.09377	4.6
157.10152	16.0
159.08037	3.0
159.11691	10.0
161.09659	3.1
161.13286	2.9
163.11192	3.0
163.14880	1.8
165.07048	6.6
165.09056	1.7
165.12778	2.1
166.07661	1.7
167.08575	6.7
169.10133	16.5
171.08020	5.5
171.11674	10.8
173.09636	13.0
173.13281	6.0
175.11220	7.0
177.09149	2.1
178.07788	2.4
179.08583	6.5
180.09279	6.1
181.10095	8.8
183.11708	9.7
185.09677	4.9
185.13235	7.1
187.11185	8.5
189.09180	2.2
189.12692	2.3
191.08511	2.4
191.14296	5.7
192.09381	3.0
193.10144	9.4
193.12144	4.0
194.10861	4.0
195.08075	3.4
195.11679	28.7
196.12250	2.4
197.09619	5.6
197.13240	3.5
199.07603	2.7
199.11147	8.4
199.14856	3.2
201.09135	2.3
203.08476	1.7
203.14157	1.8
204.09262	2.8
205.10098	6.8
205.11938	2.0
206.10847	5.8
207.11687	10.7
208.12262	2.9
209.13223	9.0
211.11150	11.9
211.14818	4.8
213.09235	2.2
213.12737	6.3
215.08694	3.0
215.10760	6.5
217.10255	3.6
217.12195	3.0
218.10815	2.5
219.11777	16.2
220.12263	3.3
221.13261	33.2
222.13597	2.4
223.11130	4.7
223.14815	4.6
225.12677	4.0
227.08711	1.8
227.14355	5.3
229.10178	2.4
229.12231	5.4
229.15776	4.2
230.10602	1.8
231.11691	6.1
232.12436	6.0
233.13210	7.4
234.14027	3.1
235.11200	3.9
235.14766	3.8
237.12764	9.7
239.10748	8.9
239.14175	1.9
241.12169	2.7
243.11639	3.2
244.12480	4.5
245.13252	8.8
245.15479	2.6
246.13904	5.8
247.11087	4.0
247.14806	19.7
247.17059	2.3
248.15359	2.5
249.12701	5.6
249.16318	3.1
251.10744	2.1
253.12648	2.5
255.13878	14.0
257.13187	4.0
258.13916	2.4
259.14874	10.8
260.15552	6.1
261.12643	2.5
261.16351	9.9
263.14221	4.2
265.12238	8.9
267.13824	6.6
272.15417	2.1
273.14651	5.5
273.16763	2.5
274.17047	4.1
275.14383	2.9
275.17902	9.3
276.15030	2.1
277.15820	4.5
279.13922	3.0
281.15485	2.3
283.13083	2.0
285.16364	4.2
289.16129	2.8
289.19498	4.7
291.17316	2.4
301.15866	3.1
301.19293	2.4
303.17215	2.3
307.16907	2.9
307.20477	2.1
317.15128	3.2
319.16928	7.0
320.17557	2.3
321.18433	3.3
321.22043	3.2
331.20596	2.4
333.18494	4.2
345.18637	3.3
347.19971	3.0
349.21713	21.6
350.21646	2.2
367.22672	6.3
397.25092	4.3
401.25037	8.2
415.26126	6.7
417.27765	7.5
419.25906	2.6
425.24759	10.0
433.27292	6.6
435.29333	3.2
443.25876	27.0
444.26285	4.0
461.26846	27.4
462.26938	2.5
470.23483	3.3
479.27948	100.0
480.28452	8.2
497.29001	30.1
498.29489	3.8
582.28583	7.1
583.28394	2.7
600.29852	25.3
601.29797	3.1
618.30237	6.4
636.50208	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89360	1.1
52.13023	1.2
53.03921	1.9
55.05514	8.6
57.03428	1.1
57.07067	3.8
60.05642	2.7
67.05506	15.2
69.03415	3.4
69.07063	5.6
70.08024	2.8
70.08379	2.3
71.04970	1.4
79.05499	7.4
81.03411	1.3
81.07053	10.5
83.04990	2.0
83.08607	3.7
85.06547	20.8
86.00626	1.8
88.03987	1.6
91.05469	11.2
93.07043	15.0
95.04939	3.1
95.08606	27.0
97.06544	2.5
97.10163	5.1
98.23439	1.3
99.08038	1.3
101.06017	2.0
103.05479	2.3
105.06355	2.0
105.07029	16.5
107.08591	19.3
109.02877	1.4
109.06535	3.3
109.10173	7.3
110.57751	1.3
111.08086	2.3
113.06013	10.6
115.05427	2.2
117.07008	7.1
119.08578	22.4
121.06489	2.3
121.10133	7.7
122.02737	1.7
123.08081	6.3
123.11698	3.9
125.09608	2.9
128.06197	4.8
129.07007	8.6
130.07753	1.5
131.08565	13.3
132.01144	5.3
133.06483	1.8
133.10133	16.7
135.08055	5.3
135.11702	10.5
137.05991	2.1
137.09543	1.3
141.06998	6.2
141.09097	4.5
142.07779	5.3
143.08575	15.1
144.09291	2.3
145.06549	2.4
145.10129	15.6
147.08022	1.6
147.11688	7.8
149.05942	1.4
149.09604	3.5
151.11137	1.6
153.01886	1.9
153.07022	3.0
153.09103	2.4
154.07756	3.8
155.08556	17.9
156.09323	4.3
157.06346	1.4
157.10127	19.1
159.08054	4.4
159.11678	10.3
161.09627	3.0
161.13263	3.5
163.11215	3.5
163.14803	2.3
165.06985	7.2
165.12764	2.6
166.07748	1.9
167.08582	7.2
168.09325	2.4
169.10115	16.0
170.10826	2.4
171.08061	5.0
171.11684	10.8
173.09619	13.6
173.13289	6.5
174.07913	1.3
175.05807	1.6
175.11122	3.2
177.09120	1.3
177.12677	2.0
178.07707	2.6
179.08528	8.3
180.09334	8.4
181.08731	1.8
181.10117	9.3
182.10837	1.4
183.08107	2.3
183.11684	8.3
185.09599	6.1
185.13264	9.1
187.11220	8.6
187.14786	2.5
189.12656	1.7
191.08527	3.6
191.10580	2.9
191.14334	6.2
192.09296	6.0
193.10141	10.7
193.12222	3.8
194.10855	5.5
195.08041	3.0
195.11690	30.5
196.12256	4.4
197.09633	7.1
197.13277	4.4
199.07578	3.1
199.11179	5.3
199.14839	1.9
201.09041	2.2
201.12753	2.6
202.07704	2.0
203.08537	2.7
203.14189	1.6
204.09312	2.3
205.10158	6.0
205.12082	2.4
206.10895	8.6
207.11739	14.8
207.13667	2.2
208.12320	2.4
209.09630	2.1
209.13264	8.9
209.15176	2.6
210.10341	1.6
211.11241	11.8
211.14815	4.6
213.09123	3.3
213.12727	4.0
215.08675	2.6
215.10680	6.6
216.09399	1.5
217.10175	3.9
217.12149	2.0
218.10968	4.5
219.10127	1.6
219.11774	13.7
220.12444	4.3
221.09709	2.9
221.13239	34.2
222.10345	1.7
222.13762	3.3
223.07581	2.4
223.11227	5.9
223.14714	6.2
225.12743	3.7
227.10803	2.2
227.14301	5.9
229.10170	2.7
229.12244	2.7
229.15947	2.3
230.10806	3.3
231.11754	8.6
232.12444	4.9
233.09604	1.8
233.13448	9.4
234.13992	2.2
235.11186	2.7
235.14825	6.9
237.12776	9.1
237.16481	1.4
237.90016	1.3
239.10751	12.4
239.14360	3.1
241.12372	2.9
241.15796	2.4
243.11658	3.6
243.13847	2.1
244.12456	3.4
245.13260	10.2
245.15392	2.7
246.13943	3.4
247.11172	2.9
247.14790	19.1
247.17058	2.3
248.11655	1.4
249.12682	4.7
249.16423	3.6
251.14311	2.1
253.12277	3.8
253.15865	1.7
255.13847	16.1
257.13309	3.3
258.14096	3.2
259.14832	10.0
260.15598	5.3
261.16373	11.4
262.13593	2.2
263.14352	4.2
263.17862	1.3
265.12238	15.2
265.15198	1.4
265.16162	1.2
267.13852	6.1
270.13950	1.9
271.14682	3.8
271.17249	1.4
272.15466	2.3
273.14871	4.7
273.16284	5.6
274.17099	3.4
275.14377	2.2
275.17987	9.1
276.18210	1.5
277.12292	1.6
277.15796	3.8
277.19644	1.5
279.13812	2.2
279.17490	1.3
281.15298	3.5
285.16428	2.9
287.17899	3.2
289.16122	2.9
289.19556	4.7
291.13800	2.1
291.17245	1.9
293.15378	1.5
297.16034	1.5
299.17786	1.5
301.15915	2.3
301.19321	2.2
303.13919	1.7
303.17389	2.9
305.15399	2.4
307.17200	2.2
307.20651	1.9
313.19254	1.6
317.15015	1.8
318.16083	2.2
319.16922	5.3
321.18646	2.9
321.22241	1.8
331.16864	2.6
331.20560	2.0
333.18390	2.5
334.19034	1.5
337.17990	1.3
345.18362	4.1
346.18839	1.4
347.20023	5.1
348.20792	2.3
349.21613	20.4
367.22626	4.1
397.25372	2.9
399.26761	2.0
401.24936	7.1
415.26556	7.2
416.27057	1.4
417.28006	7.6
419.25787	3.4
425.24686	8.8
433.27393	7.9
435.28888	2.9
443.25812	29.2
444.26059	3.4
459.27643	1.5
461.26843	28.8
462.27057	4.2
470.23395	4.0
479.27942	100.0
480.28271	14.1
491.40994	1.6
497.29010	29.1
498.29257	3.0
511.25140	3.8
582.28729	7.9
583.28564	1.6
600.21356	2.0
600.29956	26.2
600.39264	1.0
601.29694	4.3
618.30817	8.0
619.30658	2.3
637.21338	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01862	1.8
55.05270	1.2
55.05513	13.3
55.47974	0.7
57.03437	12.7
57.07050	1.0
59.05005	4.1
61.02922	3.9
65.03933	2.7
67.05506	72.2
69.03426	3.9
69.07058	5.4
71.04991	5.1
73.02902	0.9
78.31045	0.9
79.05491	14.4
81.03419	38.6
81.07059	21.3
82.07391	0.9
83.04980	9.2
83.08620	16.4
85.02901	14.3
85.06534	2.6
91.03968	1.6
91.05475	19.3
93.07049	12.1
95.04965	13.5
95.08606	8.1
97.02896	5.0
97.06522	1.5
97.10168	1.4
99.04433	1.0
105.07030	15.0
107.04962	3.5
107.08607	4.9
109.06532	2.4
109.10153	58.8
110.10503	2.1
111.04427	1.5
111.08076	7.8
115.05411	1.0
117.07008	1.8
119.04939	0.9
119.08581	12.8
121.06484	1.0
121.10136	4.8
123.08082	1.8
123.11675	0.9
125.09620	1.1
127.03915	1.0
129.07018	6.8
131.08563	6.4
133.06442	1.2
133.10121	7.2
137.09605	2.6
142.07776	1.4
145.10170	2.1
147.06793	0.8
147.08044	3.3
147.11696	8.0
149.09595	3.3
155.10663	5.3
157.10129	8.6
162.71745	0.9
165.12743	2.9
173.11739	15.6
173.13104	1.2
175.11186	8.4
187.11128	1.0
193.12250	24.8
194.12605	1.4
205.95274	0.8
211.13284	40.7
212.13676	1.6
229.14349	65.9
230.14711	3.2
267.15921	13.5
285.16953	32.3
286.17206	2.3
317.17505	0.9
421.25854	15.1
422.26187	0.9
439.26904	100.0
440.27219	9.7
543.55597	0.9
583.30750	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85610	0.7
53.03939	2.0
55.01865	2.2
55.05264	1.3
55.05511	11.6
57.03435	12.9
57.07073	1.0
59.04995	3.5
61.02927	4.3
65.03935	1.8
67.05505	73.6
68.05833	1.3
69.03418	2.7
69.07069	4.1
71.05000	5.6
73.02923	0.8
76.99554	0.6
79.05488	12.1
81.03419	37.6
81.07057	20.4
83.04975	7.8
83.08619	17.5
85.02899	16.8
85.03366	1.3
85.06542	2.6
91.03948	2.0
91.05482	19.1
93.07043	8.6
93.32144	0.7
95.04975	14.7
95.08595	7.8
97.02887	5.1
97.06525	2.8
97.10164	1.6
99.08110	1.6
105.07024	11.7
107.04972	3.5
107.08591	4.8
109.02904	1.2
109.06516	3.1
109.10154	58.5
110.10464	2.1
111.04424	1.1
111.08071	8.0
113.05993	1.8
117.07014	0.9
119.08587	13.7
121.10131	4.7
123.08096	1.6
123.11674	1.0
127.03958	0.9
129.06989	5.8
131.08565	5.8
133.06497	1.6
133.10104	6.2
137.09633	3.5
142.07776	1.5
147.08080	1.3
147.11691	7.2
149.09615	3.5
155.10651	4.9
157.10115	7.4
165.12788	2.1
173.11731	17.0
175.11197	8.0
193.12244	24.5
194.12569	1.2
211.13298	39.6
212.13707	1.8
229.14349	57.7
230.14708	2.8
240.11429	0.8
267.15933	13.0
285.16959	31.9
286.17404	1.6
292.82233	0.7
311.09219	0.8
341.10144	0.8
385.12595	0.8
421.25818	14.3
439.26895	100.0
440.27213	10.7
583.31244	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.176
Annotation	Multiflorin A
Peak:m/z	Relative Intensity
53.03941	0.4
55.05486	1.1
57.03399	0.3
61.02936	1.5
65.59216	0.3
68.99764	0.5
69.03430	16.5
70.03735	0.4
71.01324	0.5
71.04994	1.8
73.02888	0.6
83.04496	0.5
83.04981	8.9
85.02902	13.1
87.04424	0.3
91.03941	0.7
97.02882	0.7
111.00767	0.8
111.03698	0.4
111.04437	7.2
121.02881	2.6
127.03878	1.3
129.05479	10.4
133.02841	0.4
137.02315	0.6
147.04387	0.3
153.01837	3.5
165.01788	2.1
171.06522	7.9
174.15570	0.3
183.02861	0.7
184.02811	0.5
185.06064	0.5
189.05806	0.5
189.07571	6.3
197.05531	0.3
213.05533	1.3
228.05682	0.3
231.06494	0.7
241.04964	0.7
258.05246	0.8
259.05838	0.5
262.22751	0.3
266.10629	0.6
269.04486	0.3
283.13193	0.5
284.11758	0.9
287.05484	100.0
288.05814	6.6
299.05536	0.5
329.06607	0.4
355.52609	0.3
367.00742	0.4
393.16870	0.9
449.10757	0.8
492.27451	0.5
509.29984	2.9
637.23401	1.1
637.35046	12.6
638.35022	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.176
Annotation	Multiflorin A
Peak:m/z	Relative Intensity
53.03956	0.4
55.01873	0.4
55.05511	0.8
56.36100	0.3
57.03438	0.6
58.96449	0.3
61.02927	1.8
67.05489	0.3
68.99787	0.5
69.03426	0.6
71.04995	9.1
73.02917	0.3
73.30312	0.3
75.04467	0.9
83.04983	5.4
85.02911	5.8
87.04470	1.1
91.03946	0.8
97.02902	0.6
98.22527	0.5
107.05000	0.4
111.00800	0.5
111.04443	9.9
113.06010	3.5
115.03907	0.7
117.05513	1.9
121.02860	2.2
123.04451	0.3
127.03832	0.3
129.05484	13.4
130.05791	0.3
133.02832	0.5
137.02338	1.1
137.05956	0.3
145.48505	0.3
147.04463	0.6
153.01817	3.7
157.06464	0.5
165.01851	1.9
171.04454	0.3
171.06534	4.8
183.02853	0.3
185.05946	0.3
189.07584	8.7
196.81468	0.3
197.06033	0.3
213.05499	1.0
231.06454	0.3
241.04959	0.7
242.15410	1.1
255.22665	0.3
258.05338	0.8
259.96564	0.3
265.47400	0.3
287.05493	100.0
288.05820	6.0
310.36127	0.3
621.12531	0.3
637.20032	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
55.01892	0.2
55.05516	1.2
57.03434	0.5
59.05019	0.2
61.02942	1.1
67.01891	0.2
68.99814	0.5
69.03429	21.9
69.73778	0.8
70.03764	0.4
71.01350	0.7
71.04990	1.6
73.07540	0.2
79.05525	0.3
81.03413	0.4
83.04980	5.9
84.05341	0.1
85.02906	4.6
87.04470	0.4
90.34701	0.2
97.02903	0.8
98.22678	0.3
99.04489	0.3
103.31001	0.2
107.04949	0.4
109.02911	0.3
111.00813	0.6
111.04443	5.4
121.02877	2.3
127.03922	0.6
129.05476	12.2
130.05840	0.2
133.02832	0.4
137.02361	0.7
145.04999	0.4
145.06535	0.3
147.04424	0.5
153.01828	3.0
157.06479	0.2
165.01862	1.1
171.04430	0.3
183.02872	0.8
185.06033	0.3
189.05762	0.3
189.07567	5.5
189.09163	0.3
213.05391	1.0
231.06537	0.5
241.04942	0.5
258.05273	0.8
259.06052	0.5
280.44455	0.2
287.05484	100.0
288.05814	5.8
329.06647	0.7
353.06720	0.2
449.10794	0.3
462.09546	0.2
637.24695	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42603	0.5
55.05512	4.5
56.70021	0.7
67.05505	0.8
71.30975	1.0
79.05487	0.7
83.04980	2.7
93.07044	0.6
105.07040	1.7
109.06500	0.7
109.95660	0.6
127.98360	0.6
132.97903	0.7
153.07022	0.8
158.61771	0.6
160.71237	0.6
181.06465	0.6
182.07242	1.1
193.06340	0.7
194.07364	1.8
195.08047	1.2
196.05228	0.8
198.06778	1.1
205.06454	1.4
207.08086	1.5
209.05939	1.0
210.06693	1.1
211.07518	2.5
219.08047	0.9
221.06055	1.7
222.06735	3.2
223.03983	0.7
223.07591	1.9
224.04825	0.8
224.08371	0.7
225.05461	1.6
225.09064	1.8
226.06282	2.7
227.07019	1.1
233.06056	1.2
235.07573	1.7
236.08234	1.1
237.05525	3.3
237.09096	3.2
237.58708	0.7
238.06279	1.6
239.07005	4.5
240.07849	1.7
241.04962	1.4
241.08658	1.6
242.05554	0.8
249.05499	0.9
250.06111	4.1
251.07039	2.6
252.07848	1.5
253.05022	1.8
253.08606	2.3
254.05775	5.2
254.09441	0.7
255.06552	2.2
255.10181	1.0
257.04449	1.3
257.08020	0.9
263.07047	1.5
264.07877	2.3
265.04886	1.4
265.08600	6.6
266.05890	1.3
266.09012	1.0
267.06540	3.7
268.07291	2.8
269.05164	0.9
269.08090	4.4
270.08783	0.9
271.06024	2.0
277.05121	1.0
278.05780	0.9
279.06500	2.0
279.10150	1.2
280.07361	2.0
281.04694	1.3
281.08087	2.9
282.05283	2.5
282.08551	1.3
283.06076	3.1
283.09528	1.3
284.06677	3.8
285.04306	0.7
285.07504	2.8
291.06558	2.2
292.07117	1.4
293.08072	6.5
294.05316	0.9
294.08621	1.6
295.06168	1.6
295.09717	2.3
296.06848	1.9
297.07608	5.9
297.10950	1.0
298.08298	2.4
299.05823	1.1
299.08801	3.8
300.06290	4.2
300.09497	0.8
301.39319	0.7
307.09378	1.1
308.06802	2.5
309.07510	4.9
310.08261	1.3
311.09146	5.0
312.09891	1.7
313.07324	0.9
313.10806	2.0
314.07767	3.1
315.08652	11.5
316.09036	1.1
321.07672	0.8
322.08264	1.1
323.05618	1.4
323.09085	8.4
324.09860	1.8
325.07083	3.1
325.10431	1.3
326.07858	1.8
327.08725	3.7
327.12280	1.0
328.09253	1.0
329.10077	3.6
336.06149	1.5
337.06915	1.4
337.10669	1.4
338.11566	1.1
339.08630	1.6
340.09192	3.2
341.10098	6.9
342.07065	1.0
342.10864	6.3
343.07977	1.1
343.11743	3.1
351.08542	1.9
355.11752	21.0
356.12039	2.3
357.09695	5.0
358.10495	5.9
365.10172	1.5
366.11026	1.5
367.07910	0.7
369.13287	3.6
371.11328	4.3
373.12784	2.1
374.13367	0.8
385.12427	1.2
397.12839	11.4
398.13205	2.1
407.10858	0.8
415.13959	1.3
437.12079	100.0
438.12384	8.1
519.16211	1.2
537.17261	22.7
538.17694	2.4
637.22437	5.0
637.38654	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54298	0.5
70.05404	1.8
83.05030	0.4
97.24741	0.6
116.41929	0.5
137.06038	1.0
139.03957	0.4
140.03358	0.4
146.58629	0.4
214.73863	0.4
287.05652	0.6
340.16022	0.6
515.23279	0.5
619.21417	6.8
620.22375	1.1
637.22552	100.0
638.22943	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42603	0.5
55.05512	4.5
56.70021	0.7
67.05505	0.8
71.30975	1.0
79.05487	0.7
83.04980	2.7
93.07044	0.6
105.07040	1.7
109.06500	0.7
109.95660	0.6
127.98360	0.6
132.97903	0.7
153.07022	0.8
158.61771	0.6
160.71237	0.6
181.06465	0.6
182.07242	1.1
193.06340	0.7
194.07364	1.8
195.08047	1.2
196.05228	0.8
198.06778	1.1
205.06454	1.4
207.08086	1.5
209.05939	1.0
210.06693	1.1
211.07518	2.5
219.08047	0.9
221.06055	1.7
222.06735	3.2
223.03983	0.7
223.07591	1.9
224.04825	0.8
224.08371	0.7
225.05461	1.6
225.09064	1.8
226.06282	2.7
227.07019	1.1
233.06056	1.2
235.07573	1.7
236.08234	1.1
237.05525	3.3
237.09096	3.2
237.58708	0.7
238.06279	1.6
239.07005	4.5
240.07849	1.7
241.04962	1.4
241.08658	1.6
242.05554	0.8
249.05499	0.9
250.06111	4.1
251.07039	2.6
252.07848	1.5
253.05022	1.8
253.08606	2.3
254.05775	5.2
254.09441	0.7
255.06552	2.2
255.10181	1.0
257.04449	1.3
257.08020	0.9
263.07047	1.5
264.07877	2.3
265.04886	1.4
265.08600	6.6
266.05890	1.3
266.09012	1.0
267.06540	3.7
268.07291	2.8
269.05164	0.9
269.08090	4.4
270.08783	0.9
271.06024	2.0
277.05121	1.0
278.05780	0.9
279.06500	2.0
279.10150	1.2
280.07361	2.0
281.04694	1.3
281.08087	2.9
282.05283	2.5
282.08551	1.3
283.06076	3.1
283.09528	1.3
284.06677	3.8
285.04306	0.7
285.07504	2.8
291.06558	2.2
292.07117	1.4
293.08072	6.5
294.05316	0.9
294.08621	1.6
295.06168	1.6
295.09717	2.3
296.06848	1.9
297.07608	5.9
297.10950	1.0
298.08298	2.4
299.05823	1.1
299.08801	3.8
300.06290	4.2
300.09497	0.8
301.39319	0.7
307.09378	1.1
308.06802	2.5
309.07510	4.9
310.08261	1.3
311.09146	5.0
312.09891	1.7
313.07324	0.9
313.10806	2.0
314.07767	3.1
315.08652	11.5
316.09036	1.1
321.07672	0.8
322.08264	1.1
323.05618	1.4
323.09085	8.4
324.09860	1.8
325.07083	3.1
325.10431	1.3
326.07858	1.8
327.08725	3.7
327.12280	1.0
328.09253	1.0
329.10077	3.6
336.06149	1.5
337.06915	1.4
337.10669	1.4
338.11566	1.1
339.08630	1.6
340.09192	3.2
341.10098	6.9
342.07065	1.0
342.10864	6.3
343.07977	1.1
343.11743	3.1
351.08542	1.9
355.11752	21.0
356.12039	2.3
357.09695	5.0
358.10495	5.9
365.10172	1.5
366.11026	1.5
367.07910	0.7
369.13287	3.6
371.11328	4.3
373.12784	2.1
374.13367	0.8
385.12427	1.2
397.12839	11.4
398.13205	2.1
407.10858	0.8
415.13959	1.3
437.12079	100.0
438.12384	8.1
519.16211	1.2
537.17261	22.7
538.17694	2.4
637.22437	5.0
637.38654	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72900	0.9
55.05529	1.8
81.07066	2.7
93.07067	1.6
95.08621	1.7
97.10172	1.1
107.08614	2.0
121.10181	1.5
145.10132	1.3
151.11259	1.3
176.38750	1.1
184.07445	2.1
197.62613	1.1
255.50545	1.0
326.09885	1.2
363.15833	1.5
375.66220	1.1
377.17596	2.3
386.15784	1.3
390.18771	1.8
391.19220	4.0
392.19995	2.9
393.20557	3.0
399.16306	2.4
400.17224	1.3
401.17667	3.1
402.18304	1.3
405.20923	1.6
407.22366	5.3
408.23212	1.6
413.17838	1.7
414.18204	3.5
415.19379	4.8
416.20242	1.4
419.18378	1.9
421.20053	3.5
428.20056	2.5
429.21411	5.6
430.21494	2.4
432.15948	1.7
433.16418	1.5
435.21637	5.5
436.22733	2.2
439.19568	1.3
441.17480	1.1
443.18228	3.2
443.22989	2.2
444.18884	2.4
445.20096	3.9
447.18201	3.7
457.20026	3.8
458.21198	3.2
461.19318	2.0
462.20380	3.6
463.20947	5.4
471.21695	4.5
472.22440	4.1
473.19742	3.9
474.20325	1.9
475.21100	1.4
485.19379	4.1
486.20407	6.5
487.21042	4.0
488.21994	1.7
489.23596	4.8
490.19299	4.9
491.20383	1.9
496.41046	1.5
499.21558	7.1
500.21710	3.5
503.24423	2.1
513.19257	7.0
516.22058	2.1
517.22473	12.9
518.22565	1.8
521.25598	2.2
527.20612	3.2
529.22046	1.7
531.24664	8.6
539.38702	1.6
549.24860	13.0
550.25153	1.3
559.23364	67.9
560.23566	9.5
577.24298	5.0
587.22803	12.0
588.22888	1.6
591.25720	3.6
605.23755	7.1
609.26453	2.6
619.25519	63.4
620.26001	7.7
637.26300	100.0
637.38269	22.6
638.27228	14.2
638.38513	2.7
650.97736	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07267	0.5
60.88981	0.5
69.05493	4.2
69.05903	1.1
80.23607	0.5
84.84818	0.5
90.57870	0.5
98.22920	2.3
108.20793	0.5
147.02638	0.5
180.22491	0.5
221.10495	0.7
235.12202	0.6
262.10974	0.5
338.16797	0.6
360.14883	0.7
363.16113	1.1
374.16412	1.2
376.17273	0.7
377.17538	1.8
378.18182	1.4
384.14404	0.6
385.14484	0.6
386.15594	1.2
387.16251	1.5
388.17853	0.9
389.18185	1.2
390.18539	0.7
391.19391	2.5
392.19662	2.0
393.20694	3.8
398.15463	0.6
399.16058	2.4
400.17038	3.8
401.17694	5.5
402.18335	0.9
403.19269	0.9
406.21579	0.6
407.22452	4.2
410.15424	0.6
412.17490	1.2
413.17731	4.4
414.18536	5.8
415.19385	11.6
416.20071	3.1
417.20917	1.5
418.18237	1.1
419.18295	1.0
421.20111	3.0
424.16550	0.8
425.17407	1.6
427.14938	1.6
427.19217	1.9
428.20618	4.3
429.15878	1.6
429.21332	10.5
430.16269	0.7
430.21918	4.4
431.18381	0.8
435.21780	2.1
436.22583	1.2
439.19083	1.3
440.20160	0.7
441.17191	2.0
442.17474	2.1
442.22528	1.0
443.18216	4.7
443.22592	5.1
444.18488	7.4
445.19971	4.6
455.18484	0.9
456.19366	2.3
457.20599	8.0
458.21185	6.5
459.17249	0.8
459.22610	0.8
460.18268	0.7
461.19547	1.5
469.16071	0.8
471.22372	9.0
472.22977	8.5
473.19357	6.2
474.20166	2.0
475.20853	1.5
481.83411	0.6
483.18570	0.8
484.18707	1.4
485.20062	3.5
486.20490	8.2
487.21295	5.5
488.21640	2.0
489.23523	2.6
490.19772	3.4
491.20547	0.9
499.21396	12.7
500.22491	4.8
501.22333	0.8
502.19821	1.1
503.24985	6.2
513.19000	1.9
514.19348	0.9
516.21741	1.6
517.22260	5.6
527.20685	3.7
528.21423	2.4
531.23938	16.0
532.24109	2.1
541.22235	1.2
543.23755	1.4
549.25330	1.5
559.23383	100.0
560.23694	14.4
560.32520	0.8
587.22833	18.1
588.23291	2.3
607.68262	0.8
619.25507	84.4
620.25830	12.6
637.26770	9.3
637.37939	1.1
638.26776	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93900	0.2
57.53795	0.2
67.05485	0.3
70.17456	0.8
81.07094	0.2
89.27096	0.2
93.07056	0.2
93.12251	0.2
95.04921	0.3
95.08652	0.2
98.98495	0.2
111.92049	0.2
145.10094	0.3
185.55246	0.2
191.94763	0.2
203.19165	0.2
209.10815	0.3
221.10590	0.3
386.15179	0.5
387.16296	0.5
388.17053	0.4
389.17621	0.9
390.18146	0.5
391.19244	0.9
399.16052	0.4
400.16861	0.4
401.17490	1.2
402.18433	0.8
403.19238	1.4
404.20044	0.9
405.21118	1.1
406.21588	0.4
407.22159	0.3
414.18976	0.4
415.19489	2.0
416.20627	1.1
417.16525	0.8
417.21500	2.2
418.16977	0.3
418.21622	0.7
419.22675	2.2
420.23071	0.8
427.19507	0.5
428.16345	0.6
429.16931	1.1
429.21072	1.0
430.17191	2.4
431.17947	4.0
431.23337	0.9
432.19235	1.4
432.23459	1.1
433.19437	0.4
433.24316	0.5
435.21689	0.7
442.17731	0.4
443.18082	2.7
444.18927	3.6
445.20081	11.3
446.20795	3.6
447.22446	1.8
457.20358	0.9
458.20932	7.9
459.21753	7.5
460.22717	7.8
461.19171	3.2
462.20142	1.3
469.71375	0.3
471.21756	0.9
472.22873	0.5
473.23370	0.9
474.20200	0.4
475.21262	2.3
476.21957	1.8
477.22729	2.0
478.23441	0.3
485.23587	0.4
487.25110	0.4
489.23520	0.5
490.23651	0.7
491.24338	1.8
503.20633	0.8
503.25143	0.4
504.25226	0.9
505.22467	1.0
517.21393	1.1
518.23041	4.9
519.23547	0.9
530.22974	0.6
531.23596	0.7
532.24957	0.5
533.25720	2.9
534.26062	0.3
535.23462	1.8
545.25653	2.3
546.26080	2.3
547.26556	0.7
549.24854	1.0
560.24286	0.5
562.25183	0.5
563.26721	0.3
573.24829	1.1
577.28278	2.6
578.28143	0.3
590.25269	0.4
591.26251	0.5
592.26599	0.7
605.27509	13.4
606.28064	2.6
637.30121	100.0
638.30505	16.2
638.41339	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78428	1.3
61.74094	1.2
67.05520	1.5
67.68239	1.3
71.31348	2.5
74.05177	1.2
76.27991	1.4
78.70112	1.4
93.73285	1.3
95.08611	2.3
156.76433	1.2
224.92546	1.3
270.07709	1.3
325.94287	1.4
377.17905	1.4
389.18201	1.5
391.19193	1.6
401.17758	2.0
405.20853	5.9
406.21420	6.5
413.17731	3.1
415.18756	3.3
419.22327	2.0
420.22864	3.7
421.23825	9.1
427.19406	2.5
428.19870	4.3
429.20886	12.4
430.21338	2.5
433.19873	1.9
443.22604	7.7
444.23486	6.5
445.20398	4.5
446.21085	1.5
447.17303	1.7
456.19339	2.6
457.24405	3.1
458.24655	6.6
459.21777	7.2
460.22513	4.7
461.20026	6.0
471.21786	2.4
472.22736	7.7
473.23718	3.3
476.21832	7.7
485.23416	15.9
486.24213	5.9
487.21082	4.5
488.22070	5.0
499.21158	1.6
500.22128	2.5
502.24463	1.7
503.24356	19.6
504.25186	2.1
513.23157	3.1
514.23828	3.5
517.25739	9.4
535.27057	29.0
536.27350	4.3
545.25464	86.4
546.25818	12.2
563.26459	4.6
573.24890	21.3
574.25262	1.9
605.27570	74.9
606.27710	11.4
637.30145	100.0
638.30554	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01849	1.0
55.05235	1.0
55.05510	15.0
56.23982	0.6
57.03432	1.0
57.07082	8.2
65.03918	1.6
67.05507	25.4
68.05808	1.0
69.07069	80.4
69.70069	1.6
69.70461	1.7
70.07392	2.1
71.04990	1.0
71.08643	4.4
72.08969	0.8
75.37706	0.8
75.85757	0.7
79.05499	14.0
81.07058	25.4
82.07365	2.2
83.04987	1.8
83.08212	1.1
83.08627	12.0
84.08975	0.8
85.06537	1.3
85.10168	1.9
87.20682	0.7
91.05480	9.1
93.07043	39.1
95.04970	2.2
95.08609	77.2
96.08933	4.1
97.10178	7.0
105.07034	6.5
106.06297	0.9
107.04955	1.1
107.08595	42.0
108.08916	0.9
109.06496	1.5
109.10159	80.0
110.10477	3.1
111.11707	1.3
119.08567	4.3
121.10145	78.1
122.10468	3.2
123.08077	1.2
123.11707	12.1
133.10133	1.3
135.11696	51.8
136.12022	1.9
137.13187	0.8
145.10120	0.9
147.11703	2.1
149.13249	7.4
175.10950	0.9
190.58258	0.7
191.17947	100.0
192.18283	5.3
199.07848	0.8
217.05266	0.9
219.17499	2.0
226.17981	1.0
227.07106	0.9
229.08536	1.1
243.06496	1.1
253.08588	1.9
255.06400	1.6
257.08185	2.0
263.10764	1.7
264.11536	1.2
267.06479	2.2
268.10904	0.9
269.07922	1.6
270.08856	1.0
271.09616	1.2
279.10175	1.5
279.13382	0.8
280.10757	1.1
281.08133	1.3
282.08838	2.1
284.10379	1.3
285.07584	1.6
285.11172	1.6
286.08200	1.7
287.09161	1.7
291.10147	1.2
291.79846	0.8
292.10858	1.4
293.11807	1.3
294.12393	1.5
295.10046	1.0
295.13379	4.0
296.10489	1.6
296.13556	0.9
298.08389	1.9
299.09164	2.2
301.10776	2.1
302.07944	1.2
303.08478	1.0
306.12463	1.5
307.09821	1.6
307.13370	2.3
308.10349	1.1
308.13943	0.9
309.11374	1.4
309.14880	3.8
310.15485	0.9
311.12601	1.3
312.09982	1.6
313.10715	5.4
313.27347	1.3
314.11533	2.2
317.10178	5.2
318.10971	7.6
322.11935	1.7
323.12833	7.4
324.13184	1.9
327.12280	3.4
328.12994	3.3
330.11060	1.1
331.11780	1.8
332.12509	7.6
333.13312	2.3
337.02261	1.3
337.14316	15.8
338.15100	6.9
339.12186	2.9
339.15842	2.5
340.12921	0.9
341.17429	4.0
344.12567	0.9
345.13342	4.5
346.13690	1.5
354.14584	2.9
355.15384	6.6
358.13763	0.9
359.14893	4.9
369.17026	16.7
370.17630	15.8
371.18433	1.3
375.78220	0.8
386.17358	2.8
401.19583	67.3
402.20010	5.5
465.35519	1.2
495.40222	2.5
496.40820	20.6
497.41434	1.9
581.24121	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64656	1.1
55.05503	2.9
69.22164	7.4
71.17931	1.1
83.04979	3.3
90.72103	1.2
94.66926	1.1
103.05528	1.5
105.03387	2.4
165.06964	2.0
166.07657	1.4
177.07005	1.7
179.08589	1.5
181.06465	1.3
193.06586	1.5
193.10252	1.1
194.07286	4.5
197.05986	1.2
205.06419	2.1
206.07274	1.7
207.07982	2.5
209.05940	1.8
209.09612	3.0
210.06830	1.2
219.08098	3.3
221.05821	2.1
222.06805	5.7
223.07379	3.4
224.08281	3.3
225.05573	1.4
225.09038	1.4
226.06245	1.7
233.05974	3.7
234.06812	3.5
235.07498	7.9
236.08086	1.5
237.05440	2.1
237.09084	9.6
238.06224	1.7
239.07060	2.5
239.10651	3.4
240.07718	2.5
247.07439	1.7
249.05431	2.1
249.09064	1.4
250.06261	9.2
251.07069	7.0
252.07817	5.7
253.08479	3.5
254.05750	5.0
255.10243	1.6
262.06265	1.9
263.07083	7.6
264.07742	3.2
265.05341	2.3
265.08560	20.2
266.09250	4.0
267.06451	3.7
267.10141	9.1
268.07248	4.8
269.08066	2.5
271.05942	2.4
277.08713	1.5
278.05774	3.2
279.06470	4.8
280.07288	4.8
281.08069	4.6
282.08777	2.4
283.06213	1.4
283.09613	1.8
291.06543	4.8
292.07281	3.9
293.04736	2.1
293.08075	32.2
294.05768	1.2
294.08609	7.7
295.05981	6.0
295.09647	20.2
296.06714	1.4
296.09937	3.0
297.07806	2.0
297.11133	3.5
298.08203	1.5
300.06244	3.0
306.08884	2.5
307.06161	1.6
307.09439	1.6
308.06787	2.6
309.07550	4.3
309.11011	1.4
310.08362	5.6
311.09109	4.6
313.07217	2.5
314.07837	1.8
315.08612	11.2
322.08176	1.6
323.09073	9.0
324.09882	2.5
325.07150	1.7
325.10645	22.6
326.11172	3.0
327.08609	5.5
327.12277	3.8
328.09192	2.4
329.10236	7.6
335.09140	1.6
337.10736	2.8
339.12247	2.3
340.09229	3.0
341.10175	4.1
342.10977	16.7
343.11505	3.2
350.11465	3.3
352.09305	1.6
355.11743	100.0
356.12225	11.3
357.13269	28.0
358.13840	2.1
367.11850	6.7
368.12424	5.1
369.13226	2.9
381.13309	3.5
399.09061	1.7
399.14349	31.6
400.14551	2.6
438.10516	1.6
538.15393	4.2
621.15094	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45218	1.2
69.32182	7.5
78.44564	1.3
80.97366	1.3
84.16574	1.4
98.22680	2.9
105.03415	1.9
105.89249	1.2
175.68654	1.5
178.07846	1.5
178.35085	1.3
183.08051	1.6
191.08499	1.3
194.07339	2.9
195.08070	2.0
197.06081	2.2
205.06526	5.4
207.08083	4.0
209.09534	3.7
211.07556	2.8
219.08034	2.5
221.09558	1.8
222.06746	6.7
223.07640	2.1
224.08334	3.9
226.06198	1.7
233.05978	2.4
234.06700	3.2
235.07512	5.5
236.08388	3.1
237.05461	3.3
237.09006	8.8
238.06223	2.7
238.09514	1.6
239.07042	2.9
239.10625	2.9
241.08658	2.4
247.07532	1.5
249.05528	2.3
249.09215	1.7
250.06305	9.3
251.07060	4.3
252.07837	9.5
253.08484	3.7
254.05846	5.0
255.10014	1.5
260.25919	1.7
263.07047	5.2
264.07834	4.1
265.05118	2.6
265.08597	21.8
266.05682	2.5
266.09500	2.5
267.06805	2.9
267.10159	13.5
268.07330	2.6
268.10898	1.7
269.08047	3.1
271.05997	3.5
277.08630	1.9
278.05835	3.0
279.06552	3.7
280.07318	6.8
281.08072	5.8
282.05597	1.5
282.08865	3.3
283.06012	1.8
284.06918	3.2
291.06558	3.6
292.07220	3.2
293.08069	29.2
294.05493	1.8
294.08755	4.6
295.06116	5.4
295.09677	23.8
296.06921	2.7
296.10190	3.6
297.07513	6.0
297.11182	3.7
299.09204	4.7
300.06204	3.3
306.08801	2.8
308.06830	3.4
309.07620	5.1
310.08398	6.2
311.09354	3.4
312.09818	1.8
313.06934	3.1
314.07895	3.6
315.08612	6.4
323.09174	6.8
323.12323	1.5
324.09875	1.9
325.07077	3.2
325.10638	27.2
326.11261	2.6
327.08627	8.6
327.12323	4.4
328.09467	2.6
329.10199	9.3
340.09506	2.5
341.10095	6.6
342.11011	21.1
350.11554	1.6
355.11768	100.0
356.12296	9.9
357.13318	45.5
358.13715	2.4
359.11316	2.9
367.11749	3.3
369.13278	2.1
381.13312	5.4
399.14215	10.0
599.54187	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09470	1.2
50.52396	1.1
55.05501	1.8
65.08939	1.2
71.31487	2.0
76.82832	1.1
85.63857	1.1
93.66351	1.2
105.03391	3.4
122.92904	1.1
144.72383	1.2
149.02347	11.6
165.07056	1.3
177.06958	1.7
179.08597	2.5
189.06938	1.4
193.04977	3.1
194.07277	3.5
194.94444	1.3
195.07977	1.4
197.02910	1.1
205.06480	3.3
206.07196	1.5
207.08087	2.6
209.09630	2.8
219.08075	3.3
221.05975	1.4
222.06772	5.9
223.07605	1.5
224.08228	1.4
225.05513	2.6
225.09019	2.2
226.06187	1.9
233.05927	4.3
234.06718	3.4
235.07535	3.6
236.08162	2.2
237.05298	2.2
237.09052	6.9
238.06006	1.8
239.07018	2.5
239.10663	3.4
249.05592	3.1
249.08856	1.1
250.06207	7.1
251.06950	4.1
252.07791	4.5
253.04796	1.5
253.08557	2.5
254.05710	3.3
254.09535	1.4
257.04465	1.7
262.06369	1.8
263.07050	3.8
264.07797	4.0
265.05023	2.8
265.08582	18.0
266.05746	1.4
266.09137	3.7
267.06570	2.9
267.10117	6.6
268.07297	2.6
269.08234	2.4
271.06055	2.2
277.04953	1.8
278.05594	2.6
279.06476	2.9
280.07245	4.3
281.08139	3.5
282.05240	1.3
282.08841	2.3
284.10403	1.4
291.06506	4.0
292.07291	4.8
293.08075	27.3
294.08588	3.8
295.06082	3.2
295.09595	17.9
296.06705	2.1
296.10080	2.1
297.07611	2.2
297.11069	2.2
299.09131	2.7
300.06287	3.4
305.08136	1.6
306.08932	1.7
307.09619	2.2
308.06671	4.2
309.07468	5.2
309.10977	1.3
310.08380	5.0
311.08984	3.7
313.06989	2.2
314.07715	1.9
315.08600	10.2
316.09146	2.0
323.09128	7.3
324.09763	1.7
325.07080	2.6
325.10672	16.6
326.11453	1.7
327.08591	4.7
327.12292	2.8
328.08966	1.5
329.10236	7.7
335.08844	1.4
340.09448	3.1
341.10175	3.2
342.10971	13.6
343.11520	1.9
355.11746	100.0
356.12198	9.4
357.13293	22.1
358.13678	3.0
367.11880	4.5
368.12466	2.7
369.13168	1.7
381.13156	1.8
399.14407	14.0
400.14673	3.3
428.29333	1.5
438.11862	1.6
449.78854	1.3
450.84995	1.3
602.75977	1.5
621.15558	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	20.3
66.17155	3.2
69.27975	20.0
83.04977	31.0
98.23361	6.8
105.03406	13.5
163.35077	3.1
224.08342	6.5
235.07571	4.9
236.08281	4.5
239.10677	7.5
240.07820	5.5
241.08685	4.5
242.05659	3.5
252.07771	11.4
253.08687	3.9
254.05832	4.7
263.06818	3.7
264.08020	5.0
265.08554	4.5
266.09418	3.9
267.06845	3.4
267.10156	22.8
268.07153	3.7
280.07227	10.0
281.08032	6.7
281.11417	4.1
293.08194	9.4
294.08841	5.6
295.06335	5.8
295.09583	34.5
296.06781	4.8
296.10239	5.8
304.05728	3.7
308.10864	3.9
309.10992	4.3
310.08395	7.7
311.09366	3.7
313.06885	10.5
315.08597	6.9
324.10004	6.4
325.10703	46.8
326.11115	6.5
327.08557	8.3
327.12216	8.1
328.09436	10.9
329.10107	6.5
339.12405	4.7
340.08591	4.0
341.10089	9.1
342.11011	18.2
355.11832	20.7
356.12283	7.7
357.13348	100.0
358.13635	5.0
371.15262	3.9
381.13434	37.8
399.14471	28.9
409.12680	9.3
413.15958	7.9
428.37973	3.8
441.14963	4.1
638.25836	6.5
666.20465	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.2
67.05518	1.0
69.03448	0.7
69.07066	0.7
69.17406	1.1
69.17804	3.4
75.21320	0.5
79.05495	1.3
80.72881	0.5
81.03437	1.7
81.07069	0.9
83.04996	0.6
85.02912	0.6
87.04940	0.5
91.05499	1.3
93.07040	1.2
95.04946	0.6
95.08617	1.5
97.02895	0.6
98.23419	0.5
105.07056	1.2
107.04990	0.5
107.08585	0.7
117.07014	0.5
119.08607	1.0
121.06613	0.4
121.10200	0.8
127.03916	0.5
129.07042	1.3
131.08618	0.6
133.02615	0.7
133.10202	0.5
135.11717	0.6
145.10202	0.7
147.11714	0.6
149.09613	0.6
155.08505	0.7
157.10208	0.8
165.09309	0.4
181.10286	0.5
183.11644	0.5
192.48329	0.4
193.12260	0.5
195.11719	0.6
199.07491	0.5
200.32401	0.5
211.07582	0.5
217.78415	0.4
263.63095	0.5
267.13635	1.7
365.17197	6.8
384.22382	0.5
437.24692	1.9
441.24460	0.6
455.25699	4.0
459.25153	2.2
463.28412	0.6
473.26770	7.0
474.26923	0.9
481.29318	0.7
499.24680	4.1
501.26215	4.2
517.25635	14.7
518.25739	1.8
519.27240	1.9
551.24347	1.5
620.26782	1.6
638.27545	100.0
639.27948	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.7
57.07072	2.1
67.05495	9.5
69.07080	6.3
71.20661	3.2
79.05521	4.7
81.07049	14.6
88.01414	1.8
91.05509	5.6
93.07037	11.3
95.08602	37.5
105.07032	34.7
107.08588	8.5
109.10168	11.8
119.08566	18.8
121.10151	8.9
123.11722	5.8
131.08566	2.9
133.10130	21.8
135.11736	3.6
147.11674	36.6
147.12737	3.0
161.13234	11.1
175.14857	6.1
177.76976	2.2
203.17953	100.0
204.18396	4.9
227.07079	5.5
235.92380	2.0
264.20700	2.1
287.09149	4.5
387.18036	57.1
388.18356	4.4
606.27570	3.0
638.29932	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
55.05515	18.6
57.03447	1.6
57.07076	23.6
58.92933	1.1
67.05510	12.3
69.07071	20.9
69.72874	2.7
69.73277	4.7
71.08635	14.8
74.00761	1.2
79.05495	6.4
81.07061	17.4
82.38203	1.0
82.53880	1.1
83.04976	2.1
83.08617	18.5
85.06512	1.8
85.10190	9.8
86.73692	1.2
91.05466	1.5
93.07059	8.4
95.08597	13.5
96.59508	1.2
97.06535	5.1
97.10167	5.6
98.23288	1.3
98.98507	1.1
105.07035	1.9
107.08589	6.3
109.06562	1.6
109.10134	8.2
111.08084	4.0
121.10149	4.0
123.11719	1.9
131.08536	1.1
131.10260	1.1
136.86765	1.2
149.13269	7.5
155.01064	2.0
167.14325	7.3
181.18259	1.1
185.15407	2.7
190.99117	1.4
228.19620	6.1
230.18666	1.4
239.23724	4.1
241.18001	19.5
259.18967	1.7
280.40222	1.3
282.27835	1.7
313.27319	4.2
449.19244	1.5
484.58380	1.2
497.42014	100.0
498.42404	13.6
504.00397	1.3
518.22559	1.7
560.23944	7.1
588.22797	1.7
620.25470	4.8
621.25507	1.7
638.26544	13.2
638.37573	2.4
639.26862	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	18.2
57.03431	13.0
57.07079	31.7
57.76299	3.0
61.43130	2.9
67.05504	26.3
69.03443	5.8
69.07081	20.5
70.93974	3.7
71.05004	3.1
71.08631	19.5
73.06340	3.7
79.05497	15.7
81.03439	3.6
81.07061	32.2
83.04996	4.4
83.08622	11.8
85.10198	8.2
91.05484	18.4
92.05917	3.6
93.07052	15.0
95.04973	8.7
95.08623	20.7
96.60703	3.2
97.02905	8.1
97.10152	15.7
105.07035	14.2
107.04934	6.2
107.08594	10.6
109.06522	3.5
109.10143	15.9
119.08580	8.4
121.10104	4.8
125.09686	4.9
131.08623	6.6
133.06541	3.4
133.10117	12.5
135.08109	3.1
145.10115	4.9
147.08086	7.4
147.11673	4.9
151.11192	5.0
165.63133	2.9
169.68639	3.0
223.13271	14.9
239.23579	4.1
249.14902	5.4
253.14331	13.8
273.18564	11.3
291.19543	100.0
292.20044	4.2
313.27359	79.3
314.27817	4.3
365.23163	39.5
512.23541	4.3
603.46252	47.8
604.46283	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
54.78705	1.8
55.05511	63.3
58.31507	1.8
66.11869	1.8
71.31706	2.8
83.04982	100.0
97.35395	2.0
104.10740	8.5
105.03390	12.4
117.07009	1.9
184.07346	2.4
219.33742	1.9
239.51707	1.8
252.83847	2.2
275.06989	2.1
279.10269	1.8
305.08212	2.4
323.09244	2.5
333.07928	3.3
349.07043	2.9
356.12732	2.0
379.11780	24.9
380.12091	2.2
395.11444	3.6
460.25137	3.1
519.32684	4.7
639.16248	79.2
640.16687	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03743	0.6
53.03944	3.9
55.01881	2.6
55.05513	100.0
56.05843	1.3
61.46575	0.6
67.05505	6.9
68.99791	1.0
69.03432	7.6
69.07087	1.6
71.31982	0.7
79.05490	11.3
79.89566	0.7
80.03038	0.6
81.03434	1.5
81.04269	0.6
81.07056	40.0
82.07392	0.9
83.04984	97.9
84.05315	2.0
91.05476	10.9
93.07049	6.5
95.04978	7.4
95.08608	14.7
97.02892	10.2
97.06543	2.3
99.04465	3.1
103.05493	1.5
105.03429	0.8
105.07033	8.4
107.04961	2.7
107.08589	5.4
109.02896	1.5
109.05764	1.4
109.06518	26.1
111.04457	1.8
111.08086	2.9
111.38480	0.6
115.05474	3.0
117.06999	4.7
117.82217	0.8
119.04946	2.2
119.08572	6.1
121.06509	4.9
123.04436	2.4
123.08066	15.8
125.06030	0.9
125.09653	1.4
127.03933	0.8
128.06227	6.0
129.07013	8.8
130.07849	0.8
131.04915	3.7
131.08575	4.4
133.06485	6.0
133.10139	2.3
135.04425	0.8
135.08090	4.1
137.05980	47.1
137.09575	0.8
138.06308	1.5
139.07559	1.4
141.06961	5.1
142.07784	2.7
143.04958	0.7
143.08563	10.8
145.06485	19.0
145.10136	2.9
146.07176	0.7
147.04390	1.0
147.08058	9.3
149.05966	2.2
149.09631	1.6
151.07561	4.6
152.06232	1.7
153.06926	3.5
154.07762	2.1
155.04947	0.7
155.07132	1.6
155.08534	11.6
156.09293	0.7
157.06503	8.9
157.10133	5.3
159.04404	0.8
159.08057	11.0
159.11650	0.7
161.05946	1.5
161.09602	3.0
163.07529	2.6
165.06996	6.1
165.09062	1.2
166.07773	3.6
167.07054	2.3
167.08556	5.7
168.05676	0.8
168.09328	1.9
169.06485	6.6
169.08635	2.1
169.10126	4.8
170.07193	2.2
171.04381	0.9
171.08047	18.4
171.11598	0.6
172.08745	1.3
173.06007	2.4
173.09657	3.5
175.07561	3.5
177.09125	1.3
178.07785	4.9
179.08554	9.4
180.09291	2.1
181.06487	4.1
181.10126	6.6
182.07251	2.7
183.08061	14.4
183.11694	2.8
184.08762	2.3
185.05940	2.0
185.09608	8.7
187.07556	2.6
189.06934	1.1
189.09053	2.3
190.07764	2.4
191.07042	1.2
191.08565	4.8
192.09305	5.3
193.06583	1.5
193.08534	1.4
193.10141	9.4
194.07248	1.9
194.10916	1.1
195.08058	9.7
195.11685	3.3
196.08778	3.2
197.05948	1.7
197.09616	8.9
198.10168	0.8
199.07547	4.2
199.11153	2.2
201.09059	1.2
202.07700	3.5
203.08583	5.2
204.09343	3.6
205.06505	1.6
205.08366	1.1
205.10143	11.0
206.07195	1.6
206.10818	2.5
207.08138	6.4
207.10043	1.2
207.11699	5.2
208.08769	2.8
209.05829	0.7
209.09636	9.1
209.13246	2.3
210.10202	1.5
211.07605	4.2
211.11136	5.5
212.08318	0.9
213.09102	3.0
213.12729	0.8
215.08556	3.0
216.09456	3.2
217.08447	0.7
217.10173	8.3
218.07242	1.7
218.10910	5.9
219.08162	6.0
219.11659	8.1
220.08853	6.1
220.12389	1.9
221.09641	11.7
221.13118	4.2
222.10318	2.7
223.07494	2.5
223.11162	7.3
223.14728	1.4
224.11913	1.3
225.09091	3.8
225.12769	1.9
227.10587	1.5
227.14267	0.8
228.09290	2.0
229.10173	4.6
229.12067	0.9
230.10826	2.7
231.08018	1.8
231.11809	4.6
232.08809	4.5
232.12358	3.3
233.09642	12.2
233.13220	6.4
234.10271	4.4
234.13808	1.1
235.07430	1.8
235.11201	12.9
235.14844	1.8
236.08322	1.6
236.11812	4.3
237.09236	3.2
237.12733	7.1
237.16183	1.0
238.09825	0.9
238.13321	1.4
239.08574	0.9
239.10641	3.7
239.14349	0.8
240.11472	0.9
241.10074	2.0
242.10825	4.1
243.10106	3.0
243.12010	1.4
244.08783	1.0
244.12485	1.7
245.09634	9.2
245.13220	2.5
246.10403	6.3
246.12653	0.9
246.13477	0.6
247.07457	1.2
247.11237	11.9
247.14920	6.3
248.08372	2.1
248.11841	2.3
249.09074	4.3
249.12798	7.0
249.15298	0.7
249.16428	1.1
250.09799	1.2
250.13385	2.4
251.10684	5.6
251.14317	5.7
253.12296	3.4
255.11662	1.4
257.09460	1.3
257.13165	4.0
258.10358	1.7
258.14081	0.9
259.11224	9.6
259.14316	1.1
260.11932	5.7
261.09033	1.8
261.12793	10.2
262.09842	1.9
262.13321	1.6
263.10690	9.4
263.14209	4.9
264.11459	5.6
265.09546	1.0
265.12335	5.9
265.15875	5.6
267.10178	2.0
269.09286	1.5
269.11859	1.2
270.10425	3.2
271.11133	2.8
271.14816	1.6
272.12024	1.2
273.09058	1.3
273.12665	3.8
273.15561	0.9
274.13452	2.2
275.10687	2.7
275.14252	16.7
276.14853	2.7
277.12234	6.5
277.15817	4.8
278.13052	1.4
279.10202	3.1
279.13748	4.3
280.14450	1.1
281.11676	7.7
281.15009	1.0
283.13287	2.3
284.11890	2.2
285.12900	5.9
286.13467	3.2
287.10532	3.1
287.14166	2.2
288.11292	1.7
289.12146	3.8
289.15768	1.9
291.10193	1.6
291.13742	2.7
291.17111	1.5
293.11667	3.7
293.15280	6.8
294.15945	1.8
295.13358	1.6
297.11938	0.9
299.10895	0.9
299.14279	2.2
301.12164	1.5
301.15854	0.9
302.12955	1.1
303.10342	1.4
303.13733	12.3
304.14392	2.1
305.11652	8.3
305.15302	3.8
306.12308	2.0
307.13260	3.4
307.16623	1.3
309.11142	2.1
309.14804	2.4
315.13611	1.6
316.14249	0.8
317.11908	1.2
317.15350	4.7
319.13470	1.0
319.16818	2.4
321.14819	6.7
322.15579	0.9
323.12836	2.3
323.16455	1.0
325.14511	1.1
327.13754	1.2
327.17224	1.4
329.15179	1.1
331.13095	1.5
331.16879	1.0
333.15176	3.2
333.18152	0.8
335.16403	4.0
337.14417	1.0
339.16116	1.2
339.40424	0.7
341.13980	1.6
341.68600	0.7
343.13077	1.2
345.14691	4.4
345.18433	1.2
347.16254	1.4
349.14148	1.2
351.15894	1.0
353.17319	2.3
355.16827	2.6
357.14752	1.6
359.16241	2.7
361.14322	1.0
363.15805	7.0
364.16623	3.9
365.16272	0.8
373.13721	1.1
373.17978	10.0
374.18423	1.0
375.15704	2.3
375.19464	2.8
377.17343	2.3
381.16907	6.0
383.16431	5.6
385.14206	1.8
387.19650	0.8
391.19104	12.6
392.18973	0.9
397.17584	0.9
399.19614	1.0
401.17493	35.4
402.17978	3.3
403.15302	11.2
404.15427	1.9
409.20023	0.9
415.19022	4.8
417.20615	6.8
419.18512	80.5
420.18991	5.6
421.16367	2.0
425.17569	1.8
433.19800	2.9
435.21860	6.0
437.19620	21.8
438.19724	1.6
443.18530	10.2
444.18652	1.3
451.20944	1.7
455.20410	1.3
458.29233	0.8
461.19559	27.2
461.26123	1.6
462.19882	3.3
479.20627	36.6
480.21072	4.0
497.21738	10.1
498.21866	0.8
501.22095	1.3
519.23535	2.1
521.21198	2.0
537.24854	1.2
539.22498	0.8
561.25006	0.7
579.25793	3.2
597.26648	2.4
639.27972	7.3
640.27563	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01874	2.1
55.05514	87.5
55.39781	0.5
56.05853	1.6
57.03427	0.6
57.07082	0.6
58.26313	0.5
65.03941	1.5
67.05515	5.2
68.99809	0.5
69.03428	7.6
69.07054	1.2
69.17960	3.5
71.04986	1.8
76.82676	0.5
79.05495	12.3
79.46645	0.5
80.05793	0.6
81.03430	1.2
81.07059	49.0
82.07389	1.2
83.04982	94.8
84.05315	2.6
85.02888	0.9
87.00838	0.9
91.05477	9.1
93.07047	5.4
95.04975	6.1
95.08605	14.5
96.08964	0.8
97.02894	7.0
97.06538	1.7
99.04461	3.3
103.05457	1.6
105.03381	0.8
105.07033	7.9
107.04956	2.3
107.08578	5.4
109.02888	1.2
109.06518	29.0
110.06828	0.7
111.04408	1.5
111.08089	2.0
115.05458	2.9
116.06224	0.6
117.07021	4.1
119.04933	1.1
119.08593	5.8
121.06512	4.3
121.10185	1.5
123.04405	1.0
123.08067	13.9
123.08915	0.9
125.05992	1.2
125.09642	1.3
127.03968	0.6
128.06203	6.8
129.07022	6.6
130.11243	0.6
131.04932	2.0
131.08580	3.7
133.06505	5.5
133.10147	2.4
135.04489	0.7
135.08070	4.1
137.05977	64.0
138.06342	2.4
139.07553	1.8
141.06996	4.4
142.07738	2.3
143.08568	9.0
145.06488	24.0
145.10138	2.6
146.06999	0.9
147.08043	8.0
147.09152	0.7
148.08690	0.5
149.05983	2.3
149.09619	1.1
151.07549	4.9
152.06213	1.4
153.05762	1.0
153.06950	4.3
154.07771	2.1
155.04942	0.9
155.05954	0.7
155.07072	2.1
155.08572	8.3
156.09149	0.6
157.06499	8.0
157.10101	3.6
158.07227	1.6
159.04442	0.8
159.08051	7.4
161.05960	2.1
161.09595	3.5
163.07571	2.3
165.06978	5.3
165.09158	1.4
166.07802	3.0
167.07054	2.0
167.08562	5.2
168.09369	1.8
169.06506	6.2
169.08640	1.6
169.10025	4.2
170.07242	1.9
171.06589	0.9
171.08051	17.6
171.09462	1.2
171.11646	0.6
172.08644	1.3
173.05980	2.5
173.09621	4.1
175.07588	3.8
177.09065	1.5
178.07773	3.7
179.08551	9.5
180.09320	2.0
181.06447	2.7
181.10072	5.2
182.07280	2.8
182.10721	0.9
183.08044	13.9
183.11702	2.0
184.08774	2.0
185.05994	2.2
185.09616	7.8
186.10220	0.6
187.07568	3.4
187.11235	0.7
189.05432	0.9
189.07092	1.2
189.09088	1.7
190.07802	2.3
191.07059	1.0
191.08577	4.9
191.10336	0.9
192.09364	4.3
193.06522	1.2
193.08603	1.0
193.10149	8.5
194.07240	1.7
194.10925	1.9
195.08072	10.5
195.11685	4.1
196.08789	3.2
197.05981	1.2
197.09621	10.0
198.10379	1.0
199.07556	6.0
199.11200	2.2
201.09167	2.5
202.07736	4.0
203.08566	6.1
204.09387	4.7
205.06587	0.6
205.10141	10.6
206.07364	0.9
206.10901	2.9
207.08125	5.1
207.09882	1.2
207.11673	5.8
208.08760	3.2
208.12308	0.7
209.09628	8.9
209.13235	2.1
210.06656	0.7
210.10335	2.3
211.07605	4.2
211.11186	4.9
213.09091	3.1
213.12724	1.0
215.08609	2.1
215.10487	0.7
216.09375	2.0
217.10205	8.3
217.12119	1.0
218.07277	1.3
218.10843	4.8
219.08099	6.9
219.10022	0.8
219.11719	6.2
220.08870	6.1
220.12360	1.6
221.09624	13.3
221.13083	4.0
222.10361	4.6
223.07578	2.2
223.11189	6.6
223.14777	0.9
224.08241	1.1
224.11852	0.9
225.09029	3.4
225.12730	2.5
226.09772	0.7
227.08630	0.8
227.10686	2.0
228.09326	2.1
229.10219	3.9
229.12114	0.9
230.10904	2.7
231.08147	3.0
231.11674	4.9
232.08810	4.3
232.12274	2.9
233.09613	10.6
233.13220	5.3
234.10373	3.3
234.13860	0.7
235.07573	1.2
235.11203	15.2
235.14896	1.5
236.08316	1.1
236.11885	5.2
237.09181	5.2
237.12756	7.4
238.09805	1.2
239.10680	3.7
239.14339	1.5
241.10179	1.8
242.10860	5.4
243.10120	2.9
243.11884	2.1
244.08804	1.9
244.12456	1.0
245.09682	10.0
245.13249	3.1
246.10393	7.0
247.07451	0.8
247.11183	10.3
247.14850	5.2
248.08295	1.7
248.11902	3.1
248.15340	0.7
249.09038	5.2
249.12701	8.5
249.16460	1.0
250.10063	1.3
250.13390	1.7
251.10730	4.4
251.14290	4.1
253.12302	3.4
254.12981	1.1
255.11708	0.9
256.08612	0.8
256.12390	1.5
257.09418	1.1
257.13577	4.4
258.10364	1.5
258.13882	1.4
259.11224	8.2
259.13934	0.9
259.14932	0.8
260.11899	7.3
261.09164	2.2
261.12747	12.0
262.09940	1.1
262.13315	2.2
263.10675	8.7
263.14215	4.6
264.11414	6.2
264.14706	1.1
265.08380	0.7
265.09610	0.7
265.12347	5.2
265.15784	4.8
266.09216	0.9
267.09811	3.3
267.14014	1.1
267.17728	0.7
269.09521	1.8
269.11935	1.0
270.10367	3.2
270.13837	0.9
271.11090	2.3
271.14737	1.3
272.11871	1.1
273.09088	1.0
273.12698	4.4
274.10052	0.8
274.13470	2.3
275.10724	1.9
275.14267	19.0
276.11816	1.0
276.14941	3.8
277.12234	7.0
277.15851	3.9
278.12903	1.8
279.10397	1.5
279.13828	4.3
281.11743	8.2
281.15256	2.1
282.12463	1.3
283.09705	1.7
283.13489	1.1
284.11884	1.4
285.12781	8.5
286.13458	2.9
287.10672	2.7
287.14252	2.5
288.11401	2.1
289.12207	4.0
289.15863	1.9
290.12872	1.0
291.10187	1.8
291.13782	3.7
291.17108	1.3
293.11844	2.7
293.15344	8.5
294.15906	1.2
295.10132	0.6
295.13351	2.1
297.11768	1.1
298.13455	0.7
299.14178	3.2
300.11649	0.7
300.14825	1.1
301.12259	0.8
301.15863	1.1
302.12921	0.8
303.10352	1.0
303.13785	15.6
303.17130	0.6
304.14398	2.5
305.11719	7.7
305.15292	2.6
306.12469	2.3
306.15692	0.6
307.13315	3.9
307.16660	1.0
309.11194	1.9
309.14908	2.5
313.11511	0.6
313.15680	0.9
315.13696	1.0
317.11877	1.1
317.15195	3.2
319.13376	1.3
319.16882	2.6
321.11380	0.7
321.14886	7.3
322.15607	1.6
323.12766	2.4
323.16364	1.0
325.14340	2.6
327.13635	0.8
327.17276	1.2
329.15179	1.0
331.12988	1.9
333.11133	0.7
333.14822	2.9
335.12921	1.0
335.16486	3.9
336.17010	0.8
337.14459	1.1
339.16183	0.7
341.13892	1.0
345.10913	1.0
345.14838	5.2
345.18347	1.0
347.12637	1.0
347.16516	1.8
349.14294	0.7
349.18008	0.8
351.15979	2.0
353.17462	1.2
355.16895	1.9
357.14865	1.6
359.12506	0.9
359.16577	3.1
361.14203	1.4
363.15823	7.3
363.19498	1.0
364.16611	4.2
365.17355	0.9
373.13638	0.9
373.17978	12.3
374.18384	1.7
375.15735	1.4
375.19806	3.2
377.17621	3.0
381.16998	5.3
382.17477	0.8
383.16373	6.4
384.17053	0.8
385.14322	1.8
389.13089	0.7
391.19037	15.0
392.19366	1.7
393.16696	1.4
393.21109	0.7
397.18033	2.0
399.19409	1.3
401.17480	52.9
402.17773	5.8
403.15414	5.5
407.22455	0.7
409.20081	2.2
415.19165	3.5
417.20779	7.2
418.20889	0.8
419.18521	100.0
420.18915	11.8
421.16364	2.3
425.17429	1.8
433.20105	2.6
435.21881	5.2
436.22440	0.9
437.19601	23.4
438.20190	3.1
443.18539	12.3
444.19144	1.3
451.21161	1.7
452.21259	0.9
455.20505	1.8
461.19574	27.5
462.19821	3.7
479.20685	34.2
480.21121	3.3
497.21631	8.7
498.22055	1.2
501.22513	1.8
519.23810	4.4
521.21667	1.8
537.24683	2.0
561.24634	1.8
579.25836	2.8
597.26971	2.8
639.28046	4.1
640.27820	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2809
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.05509	0.8
67.05498	1.7
69.07061	0.6
79.05499	1.5
81.07057	1.6
93.07030	1.1
95.08608	1.4
98.23373	1.3
105.07015	0.8
107.08604	1.2
119.08576	0.8
123.11727	0.7
157.10078	1.0
170.25943	0.6
183.09276	0.7
208.08130	0.6
209.10794	0.9
221.10754	0.7
240.56367	0.6
247.12462	0.6
272.96179	0.7
324.14896	0.6
326.16641	0.7
377.17776	2.7
378.18549	1.6
387.18137	1.7
389.17603	1.4
390.18372	2.7
391.19150	7.4
392.19885	6.1
393.20908	1.4
403.19766	1.8
404.19980	2.1
405.20810	10.5
406.21429	6.4
407.22296	14.0
408.22913	1.7
416.20584	0.8
417.20840	1.8
418.21594	1.3
419.22415	6.2
420.23013	6.6
421.17804	0.8
421.23849	19.7
422.19339	0.8
422.24393	4.8
429.21201	0.8
431.18167	0.7
432.23526	0.9
433.24554	4.1
434.24533	2.6
435.18277	3.1
435.25381	1.7
436.18973	2.1
437.19400	1.1
445.20386	2.0
447.20990	1.4
447.26379	0.8
449.19272	2.9
449.27396	1.2
450.20578	2.8
451.21259	15.4
452.21933	6.2
459.22110	1.0
460.22485	0.9
461.23398	2.3
463.21423	1.4
464.22153	1.6
465.22882	23.3
466.23428	5.4
467.37344	0.7
472.19086	0.8
473.19189	1.4
475.21005	1.0
475.25546	1.0
477.22913	2.0
478.23749	2.1
479.24487	2.3
487.21201	2.0
488.22122	2.7
489.22617	1.1
491.20294	1.3
492.20926	0.8
492.25482	1.1
493.25790	2.4
501.22827	2.2
502.23602	1.8
503.24445	12.6
504.25308	3.7
505.22076	0.8
507.27539	14.4
508.28098	4.0
519.23828	1.6
523.23370	5.2
524.23627	1.1
533.25574	1.7
534.26263	0.7
535.27020	20.1
536.27515	3.5
537.24921	11.6
538.25336	1.5
551.26538	7.4
552.27271	29.7
553.27777	5.0
561.24854	4.7
562.25348	1.4
579.25989	11.1
580.26550	5.1
593.27997	1.1
595.29163	11.2
596.29340	2.1
596.43622	0.7
607.25153	0.9
611.27637	0.7
621.26776	21.7
622.27307	4.2
639.28113	100.0
640.28363	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2813
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
60.05659	0.4
61.77821	0.4
71.33028	0.5
91.05512	0.3
93.07057	0.6
105.03428	1.2
107.08576	0.3
130.55710	0.4
161.09108	0.4
164.14957	0.4
204.06494	0.8
211.08696	0.5
218.47949	0.4
225.10284	0.5
226.11090	0.4
227.11862	0.5
237.10281	0.4
242.34094	0.4
249.10158	0.4
251.08231	0.4
251.11832	0.6
267.11288	0.4
286.24725	0.4
300.11774	0.4
311.13977	0.4
365.17856	0.5
391.15237	0.7
392.16379	0.6
393.16983	1.0
393.21420	0.6
405.17166	1.3
406.17944	0.9
407.18530	2.3
417.17218	0.8
419.14325	0.7
419.18857	1.1
420.15463	1.1
420.20010	0.8
421.20477	6.1
422.21063	1.8
423.22015	0.6
430.17868	0.6
431.19000	0.9
433.16290	1.2
433.20868	1.0
434.17325	1.4
435.18237	3.1
436.22925	2.3
445.16745	0.6
446.17206	0.6
447.17386	0.7
447.22220	1.3
448.18524	3.0
449.19745	9.7
450.20328	4.3
451.20895	0.4
459.18005	0.8
460.18832	0.6
461.19925	1.6
462.20676	0.9
463.21698	6.1
464.22055	5.6
465.23392	0.8
473.19888	0.7
474.20337	0.8
475.21527	2.3
476.22318	0.5
477.18863	6.2
478.19638	2.5
479.20721	1.2
491.21097	1.4
492.21408	1.4
493.22159	1.1
494.22189	0.5
505.22089	0.9
507.24054	1.3
509.22192	0.5
515.73077	0.4
521.22156	1.1
523.22729	2.4
533.22107	1.5
535.23566	4.1
536.24261	1.2
537.22089	1.3
547.22955	0.4
549.21277	0.8
550.25415	1.3
551.26624	2.6
552.26483	0.7
561.25055	3.3
563.22839	0.5
564.23730	4.4
565.24786	2.7
566.24438	0.6
579.26001	9.1
580.26459	1.0
581.24036	1.1
589.24988	0.5
593.27002	0.4
595.26044	2.4
596.26154	1.5
597.26910	0.9
609.22809	0.6
610.27179	0.8
621.27118	5.6
622.26892	0.9
624.25690	4.9
625.25989	0.6
639.28125	100.0
640.28351	16.5
665.75018	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2812
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.03937	0.4
53.06047	0.3
55.01880	0.5
55.05515	1.4
65.03956	0.4
67.05505	2.7
69.07078	1.2
69.26632	1.0
69.27042	1.3
79.05487	3.2
79.54204	0.3
81.03447	0.3
81.07053	3.1
81.76984	0.3
82.60954	0.4
83.04999	0.5
83.08601	0.5
91.05488	3.1
93.07063	2.6
95.04956	0.5
95.08604	1.8
97.06542	0.7
97.10186	0.5
102.18994	0.4
105.03351	0.5
105.07043	2.3
107.04942	0.5
107.08596	2.0
108.54935	0.4
109.06522	0.9
109.10150	1.0
117.07034	0.8
119.08582	1.7
121.10168	1.2
122.12507	0.3
129.06985	0.4
131.08598	0.6
133.10161	1.5
135.08112	0.4
135.11720	0.4
141.06854	0.4
145.10153	0.9
147.11713	0.9
159.11726	0.8
161.13303	0.7
169.10052	0.5
184.07335	0.4
213.16388	0.4
239.11885	0.5
273.18588	0.7
275.20151	1.2
291.19638	0.9
325.07330	0.6
377.18063	1.1
379.19263	0.8
387.92160	0.4
389.17752	0.6
390.18655	0.6
391.19257	1.3
392.19971	0.9
393.20813	1.3
403.19531	0.6
404.15976	0.8
404.20538	0.5
405.16376	2.3
405.21591	0.9
406.17996	1.7
407.17816	0.7
407.22876	3.7
408.22781	0.9
409.23666	0.4
417.21329	0.5
418.17560	2.0
419.18121	3.8
419.23386	0.8
420.19101	1.8
421.20175	4.0
422.21155	0.5
423.21875	1.0
432.19580	0.6
433.20273	12.7
434.21127	5.9
435.22052	6.3
436.22412	1.7
446.20831	0.5
447.22632	2.0
448.22977	0.6
449.19632	7.1
450.20200	1.5
461.19559	1.1
461.24512	0.4
463.21884	2.2
464.22250	1.4
464.88397	0.4
465.23068	2.2
475.21118	0.4
477.23633	0.6
478.19806	0.7
479.20215	2.3
491.19986	1.9
492.21411	4.7
493.21884	5.3
494.22800	0.7
505.22598	2.1
506.23245	0.9
507.23804	1.0
519.24048	1.1
520.24475	1.3
521.25598	10.0
521.33356	0.5
522.26019	1.6
523.27136	0.9
535.22943	0.7
537.21765	1.1
541.38507	0.7
549.25305	0.4
550.25745	0.5
551.26385	0.7
565.24402	1.2
575.22620	0.5
579.26013	19.5
580.26630	4.2
581.27496	2.1
582.27863	0.6
607.25513	1.2
621.40491	0.9
639.28143	100.0
639.39526	4.9
640.28394	17.4
640.39050	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01006	0.7
53.03938	0.7
55.05508	1.2
63.49323	0.7
67.05506	1.9
69.03439	0.8
69.07069	1.1
78.02156	0.7
79.05499	2.8
81.07048	3.3
83.04954	1.1
83.08646	0.7
86.09729	1.2
89.63849	0.7
91.05496	2.8
93.07058	3.5
95.04968	1.1
95.08619	2.3
105.07040	3.0
107.08607	1.5
109.06515	1.4
109.10163	1.2
119.08566	3.1
120.08089	1.0
121.10175	1.0
123.11754	0.8
125.00018	1.3
129.07045	0.8
131.08606	2.2
133.10130	1.9
135.11700	0.8
141.89822	0.7
143.08505	0.8
145.10147	1.4
147.11729	0.9
157.10156	1.0
159.11650	0.9
173.13188	0.8
184.07365	4.5
185.04204	8.0
185.07712	0.8
202.16045	1.1
203.16219	1.6
207.09132	0.7
209.10626	1.0
210.11426	0.7
211.08813	0.7
213.06525	0.9
219.17461	0.9
221.10684	1.7
222.11809	0.9
223.08655	0.7
223.12331	2.9
224.12909	1.1
225.06625	0.9
225.13884	1.5
232.09764	0.8
235.12466	2.2
236.13110	2.2
237.13876	3.6
238.14662	2.0
239.15494	1.7
240.16153	0.9
247.12398	0.7
249.13924	1.9
250.14514	0.9
251.11877	1.0
251.15437	2.3
252.16321	1.1
253.17026	0.8
261.13980	2.2
262.14539	1.0
263.11765	1.1
264.12637	1.0
265.13525	0.7
273.13513	0.8
273.18579	0.8
275.20139	2.0
277.13483	1.6
279.15021	2.1
291.19678	1.9
299.10522	2.0
300.14255	0.9
301.13626	1.1
302.13843	0.9
305.17456	0.9
312.15005	1.2
324.15106	0.9
330.19757	0.6
350.16660	0.6
354.19528	0.9
364.17999	0.9
365.17850	1.3
367.19431	0.9
376.18097	0.8
378.19507	0.9
379.19714	2.1
392.16449	1.1
392.21014	0.8
393.21100	1.5
395.09607	0.7
406.18338	1.0
407.18814	2.5
409.20242	1.9
410.20773	1.2
419.18436	0.9
421.20630	1.1
422.21173	2.0
423.22067	3.5
432.19116	0.9
433.16345	0.9
434.17639	0.9
435.17551	1.5
449.19702	2.6
450.20230	1.4
451.21524	1.0
466.24655	1.1
467.20941	0.8
473.19354	1.1
477.19138	1.4
479.21082	1.3
480.21671	0.8
481.26959	1.3
482.22952	1.3
483.24155	1.1
493.23358	1.1
494.23624	2.8
495.24228	1.2
496.24689	1.1
505.21866	1.7
509.25613	13.3
510.25739	2.8
519.23981	1.9
521.21771	1.2
522.23151	1.6
524.23651	1.0
537.25140	11.0
538.25226	1.6
547.24567	1.1
551.26379	2.7
552.24286	1.2
561.24860	1.6
564.23895	1.0
565.24481	15.4
566.25085	2.0
567.29352	1.1
569.27643	19.1
570.27838	2.3
579.26202	5.4
580.25940	1.5
595.29095	1.2
596.26678	2.0
597.27081	100.0
598.27368	13.3
607.25385	6.3
611.28693	12.7
612.29059	1.7
621.26978	6.0
622.27069	1.0
639.28015	25.0
639.38770	61.0
640.28400	3.6
640.39136	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.8
55.01868	6.1
55.05511	22.4
57.03437	9.6
59.04992	0.9
65.03941	2.6
67.05505	27.4
69.03078	1.0
69.03426	13.5
69.07064	6.2
71.01347	1.2
71.04994	6.2
73.02907	0.6
73.06557	0.6
77.03936	0.8
77.12309	0.5
79.05491	27.9
80.05817	1.1
81.03416	100.0
81.07054	31.0
82.03751	1.7
82.07397	0.8
83.04980	20.0
83.08617	23.2
83.09116	1.3
85.02905	21.4
85.06551	1.7
91.05480	36.1
92.05802	0.8
93.07040	19.6
94.07408	0.6
95.04964	29.5
95.08600	9.9
96.05323	0.7
97.02885	15.4
97.06538	6.5
97.07152	0.8
97.10170	7.4
99.04469	4.2
99.08089	1.5
101.02354	0.5
103.05507	1.3
105.04507	0.6
105.07027	25.5
106.07322	0.6
107.04954	9.2
107.05611	0.9
107.08592	10.3
109.02129	0.7
109.02874	14.7
109.06519	5.3
109.10153	4.5
111.04446	13.0
111.08080	10.5
113.06008	1.9
115.05453	2.3
117.07015	5.2
119.04942	1.4
119.08578	19.4
120.08891	0.7
121.06509	3.0
121.10133	9.5
123.04453	2.1
123.08075	2.6
123.11701	2.9
125.05904	0.7
125.09597	4.1
127.03913	9.4
128.06245	1.8
129.05504	2.0
129.07005	12.6
129.07886	1.0
131.04930	1.4
131.08568	11.0
131.09494	0.9
132.08868	0.5
133.06494	4.8
133.10120	8.3
134.10495	0.6
135.04408	1.1
135.08064	1.7
135.11711	3.1
137.05972	0.9
137.09618	2.0
137.13243	0.7
141.06914	0.6
142.07797	2.4
143.08591	1.5
145.06523	2.2
145.10095	4.6
147.04427	1.5
147.08023	4.0
147.11678	18.6
149.06007	1.2
149.09630	6.4
149.13266	0.6
153.09102	0.6
153.12733	2.5
155.08618	1.3
157.06538	1.1
157.10123	12.8
158.10588	0.7
159.08049	1.2
159.11803	0.7
161.05927	1.1
161.09676	0.8
163.11182	4.3
165.05551	0.7
165.12767	5.8
167.08485	0.8
169.10201	0.7
171.08057	0.9
171.11655	1.2
173.04485	2.5
173.05913	0.7
173.09665	1.5
175.11177	14.8
175.12701	0.9
181.10345	0.6
181.12257	3.4
183.06554	0.6
183.11794	0.6
185.13281	1.0
187.07697	0.5
189.05563	0.7
189.11269	1.7
189.12788	1.1
191.10677	3.3
193.12234	49.0
194.12628	1.9
199.11133	1.1
209.11696	1.7
211.13284	67.4
212.13680	1.8
213.12856	0.8
217.12370	0.6
227.12624	4.0
229.14397	1.6
231.13823	1.2
231.78696	0.6
235.13272	1.5
247.13524	0.8
249.14853	2.6
255.13817	1.2
259.13303	0.8
267.15903	21.0
268.16254	1.3
273.14941	3.1
277.14380	1.3
283.15588	1.2
285.17004	14.1
286.17429	0.7
289.14575	0.6
291.16031	0.8
301.14252	4.7
309.16925	1.0
313.16599	1.8
319.15427	2.9
337.16513	2.8
349.21552	1.2
351.18176	0.6
355.17621	7.2
367.22687	2.2
375.18243	1.6
385.23669	4.1
393.19098	2.6
403.25247	1.6
411.20120	6.3
412.20453	0.7
429.16125	0.6
429.20691	2.7
441.26196	0.9
459.27414	9.9
460.27853	1.3
477.28442	11.7
478.28922	1.1
495.29480	11.7
495.36639	0.6
496.29852	1.3
501.28537	0.8
519.28979	0.9
543.29358	1.0
561.31049	1.1
573.30963	1.2
585.30701	2.3
601.85687	0.6
603.31836	2.2
621.32648	10.1
622.33051	1.9
639.33691	38.6
640.33820	5.3
657.38934	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.9
55.01871	6.4
55.05513	18.2
57.03438	10.6
61.02911	1.0
65.03935	2.5
67.05503	30.3
68.99419	9.8
69.03429	17.4
69.07071	7.2
71.04991	8.1
73.02893	1.2
79.05495	33.0
80.05857	1.0
81.03418	100.0
81.07056	37.3
81.07523	2.1
82.03765	1.6
83.04988	19.8
83.08617	24.2
85.02906	20.8
85.06551	2.4
87.04441	1.3
89.68951	1.0
91.05483	37.6
93.07042	22.0
95.04970	29.1
95.08611	13.5
97.02895	17.3
97.06539	6.8
97.09550	0.9
97.10184	5.4
99.04476	4.8
99.08085	1.8
103.03962	1.2
103.05440	1.1
105.04560	1.2
105.07034	26.2
106.07357	1.2
107.04948	11.9
107.05605	1.1
107.08582	12.4
109.02882	16.1
109.06522	6.6
109.10157	5.7
111.04451	12.4
111.08071	8.2
113.06027	2.5
115.05486	2.0
117.07008	6.1
119.08575	24.4
121.06526	5.6
121.10152	13.4
123.04457	2.9
123.08101	4.5
123.11734	4.5
125.06059	1.3
125.09666	3.2
127.03916	11.4
128.06229	1.6
129.05524	2.1
129.07004	11.9
131.04930	1.6
131.08569	14.0
133.06509	3.5
133.10127	13.4
135.08092	2.5
135.11743	3.3
137.06001	1.3
137.09616	1.8
141.07019	1.2
142.07788	3.7
143.08583	2.1
145.06505	2.5
145.10123	5.7
147.04350	1.2
147.08067	6.4
147.11691	20.1
149.09615	7.8
151.07550	1.1
153.12793	2.3
155.08595	2.2
157.06543	2.0
157.10132	15.0
161.06018	2.4
163.11229	4.6
165.09102	2.4
165.12724	6.6
171.11726	2.0
173.04555	2.4
173.06073	2.9
173.09688	1.4
175.07724	1.5
175.11197	14.0
181.06517	1.2
181.10132	1.2
181.12279	3.6
183.13875	1.6
187.03946	1.7
187.07785	1.4
189.09125	1.3
189.11211	2.5
191.10745	4.7
193.12245	43.6
201.05479	1.3
211.13290	61.1
212.13681	2.9
213.05544	1.3
214.87575	1.2
217.05022	2.9
217.12262	1.4
223.10838	1.2
227.07076	1.1
227.12843	3.8
229.14386	2.2
235.13437	1.6
249.14946	2.0
255.13959	1.7
267.15948	19.1
268.16458	1.3
273.14990	1.3
277.14435	1.4
283.15585	1.9
285.17023	14.3
301.14423	4.3
309.16833	1.3
319.15448	1.6
329.13840	1.5
337.16821	2.9
355.18039	5.7
358.95132	1.2
367.22675	1.8
375.18152	1.6
385.16418	1.5
385.23853	1.8
393.19034	1.8
411.20245	5.4
429.20532	2.4
459.27209	9.2
460.27957	1.2
477.28375	9.4
495.29532	7.7
585.30774	2.1
603.31360	3.0
621.32434	10.8
639.22852	1.6
639.33575	40.5
640.33856	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26762	0.5
55.05502	0.5
60.96776	0.4
67.05499	0.6
67.17528	0.5
69.07078	0.5
70.96323	0.4
79.05519	0.4
81.07069	1.2
81.92599	0.6
83.08622	0.5
86.09696	0.7
91.05516	0.6
93.07081	0.8
95.08614	0.8
107.08625	0.9
109.10163	1.0
119.08620	0.6
121.10162	0.9
124.99992	0.5
177.12627	0.4
184.07368	1.4
185.04221	15.9
203.18143	0.5
217.15939	0.6
228.34517	0.5
235.33569	0.5
387.18060	0.8
473.07053	0.5
477.33456	1.8
509.25348	1.3
537.24982	1.3
565.24548	1.1
569.27362	0.9
597.27045	8.0
598.27344	1.4
639.38641	100.0
640.39038	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90482	1.2
52.91354	1.2
59.31503	1.1
67.05511	1.7
69.03414	1.2
69.72312	5.6
75.82635	1.2
79.05499	1.7
81.03429	1.7
81.07047	2.7
83.04969	2.7
85.02882	1.5
85.52468	1.2
93.07061	1.3
98.22681	2.4
100.87093	1.3
102.30280	1.5
105.03417	2.8
105.07052	1.5
107.08620	1.4
111.36932	1.2
129.07036	1.2
140.05876	1.3
141.07060	1.9
156.65038	1.5
165.07030	2.8
169.06479	1.4
179.08511	2.6
180.05762	2.4
181.06424	1.3
182.07217	1.8
193.06508	2.5
193.69466	1.3
195.08087	5.8
197.05960	1.7
197.09631	1.8
205.06561	2.7
207.08090	1.4
208.05212	3.0
209.05945	2.0
210.06778	5.7
211.07521	3.6
213.09071	1.7
221.05998	3.6
222.06757	4.0
223.07489	9.3
224.08328	4.4
225.05423	1.4
225.09026	8.2
226.06157	1.6
227.07004	3.7
228.07788	2.2
234.06889	2.8
235.07538	5.8
235.50432	1.2
236.04710	4.4
237.05511	8.3
237.09161	2.2
238.06230	11.3
239.07056	6.0
240.04150	7.3
243.03067	1.7
249.05576	2.7
249.09160	1.3
250.06252	3.6
251.07028	30.5
252.07837	12.9
253.05032	2.3
253.08592	23.2
254.05687	4.7
254.09123	1.9
255.06517	5.9
256.07443	2.4
257.08130	1.5
263.07028	2.6
264.07703	1.9
265.04990	5.2
265.08725	3.6
266.05746	9.0
266.08456	1.4
267.06567	11.5
267.10074	4.2
268.03680	2.3
268.07254	5.5
269.08072	3.7
270.08817	3.9
271.05768	1.6
271.09726	3.4
277.05057	2.0
279.06519	22.5
280.07193	11.3
281.08075	58.0
282.05551	3.1
282.08725	8.0
283.06073	8.7
283.09656	7.8
285.11224	2.7
286.04654	6.1
291.06580	2.4
293.08035	3.8
295.06323	2.5
295.09695	8.7
296.06955	5.8
296.10059	1.6
297.07559	10.0
297.11240	5.2
298.08313	14.1
299.05521	2.9
299.08997	1.9
301.07132	18.2
308.06607	2.1
309.07672	15.0
309.11047	1.5
310.08304	5.8
311.09131	31.8
312.09879	9.0
313.07150	5.0
313.10654	32.6
314.07626	2.9
314.11063	2.3
315.08609	6.2
323.09058	7.3
325.10709	4.4
326.07947	2.3
327.08591	3.9
327.12277	4.3
328.09412	25.7
329.09970	3.5
337.10760	2.4
341.10199	100.0
342.10712	8.0
343.11786	43.4
343.15289	0.9
344.12119	3.9
345.09671	5.2
353.10321	7.0
355.11758	24.3
355.15982	1.0
356.12192	1.6
367.11777	15.0
385.08231	2.5
385.12833	35.2
386.13055	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.05511	74.7
56.05843	1.3
63.26834	0.8
69.15118	7.1
75.04482	0.8
75.48997	0.8
79.05474	1.1
79.46673	0.8
81.03443	0.8
83.04980	100.0
84.05317	2.5
89.92554	0.7
93.06979	1.1
95.04974	1.3
98.23315	1.5
105.03376	3.4
106.03725	0.8
107.08578	1.0
109.06500	0.9
153.05461	1.5
166.64088	0.8
167.07077	1.3
175.03914	1.3
176.54066	0.8
193.06456	0.8
195.06487	4.2
195.50357	0.8
195.55135	0.9
208.08717	1.0
212.12921	0.8
213.05405	1.1
223.07527	1.5
225.05527	1.2
226.06250	0.9
227.07001	1.2
233.05885	1.2
234.06660	1.7
235.07516	1.8
237.05443	1.3
239.07104	1.3
240.03874	1.2
243.06483	1.1
247.07315	1.0
249.05527	2.2
249.09155	2.1
251.06917	1.9
255.02998	0.9
262.06335	1.4
263.07025	3.2
264.07657	1.1
265.08618	2.6
266.05789	1.1
267.03012	1.6
267.06540	2.3
269.04468	12.4
275.07108	2.1
276.07825	2.3
277.08572	3.0
279.06506	3.7
279.10190	0.9
281.08127	1.2
281.11670	1.1
282.01743	1.2
289.04996	1.1
289.08215	1.3
290.05630	1.5
291.06494	3.2
292.04172	0.8
292.07031	4.0
293.07928	4.8
294.05136	1.1
295.05948	3.0
295.09445	1.8
297.03986	6.1
298.04645	2.1
301.07431	0.9
302.05740	1.1
303.06540	3.6
304.07205	1.7
305.04736	1.4
305.07935	5.0
306.09015	1.7
307.06021	1.9
307.09625	5.9
308.10236	1.3
309.07547	2.9
309.10831	1.2
310.08124	4.0
311.05447	3.3
312.06229	8.5
313.06995	6.0
318.05350	1.1
319.05930	4.0
320.06735	3.6
321.07697	4.3
322.08228	2.3
323.05615	1.0
323.09024	1.9
324.09735	1.1
325.06937	2.5
325.10532	1.3
326.07620	1.0
331.06042	1.3
333.07605	2.2
334.08243	3.3
335.05441	1.3
335.09097	7.5
336.09851	3.3
337.06900	2.0
337.10718	3.8
339.08530	3.2
339.12314	2.5
341.10034	4.1
344.06601	1.1
345.07483	1.1
347.05524	1.6
348.06146	1.2
349.06909	3.2
350.07736	1.4
351.08475	1.7
352.09399	2.2
353.10025	5.3
355.11847	1.4
362.07895	1.6
363.08563	4.3
364.09207	3.4
365.10187	8.0
367.07431	1.3
367.11786	20.2
368.12085	1.9
377.10190	14.4
378.10657	1.5
383.11200	2.4
395.11264	35.1
396.11560	3.1
413.12222	3.0
467.16910	3.5
495.16629	1.5
532.36115	1.0
640.18542	1.4
641.19305	0.9
641.29590	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.8
56.05828	0.7
57.07055	1.2
59.45918	0.7
61.79703	0.8
69.28371	3.4
69.28765	1.5
76.37628	0.8
83.04982	1.3
84.95143	0.9
91.05492	1.9
93.07047	1.2
95.08574	0.9
105.03404	2.8
107.18867	0.7
145.10222	1.0
152.06126	0.9
177.07091	1.0
178.07797	1.6
179.08533	2.0
181.06471	1.3
182.07251	1.2
191.08632	0.9
193.06462	0.9
194.07291	3.0
195.08020	1.9
196.08801	1.5
205.06488	3.5
206.07254	2.0
207.08089	2.3
208.08633	1.0
209.06027	1.4
209.09641	2.8
210.06787	1.9
211.07550	1.6
219.08080	2.7
221.05937	1.7
222.06769	5.3
223.07446	1.6
224.08328	3.0
225.05405	1.6
225.09052	1.6
226.06303	1.5
227.07071	0.9
232.05237	1.4
233.05899	2.1
234.06728	2.8
235.07510	5.8
236.04691	1.1
236.08276	2.8
237.05463	2.8
237.09077	5.3
238.06152	2.5
238.09766	1.3
239.07040	2.5
239.10710	2.7
240.07719	1.5
241.08545	1.5
247.07530	1.8
248.08379	0.9
249.05547	1.6
249.09109	1.3
250.06247	7.8
251.07008	4.8
252.07816	6.0
253.05042	1.3
253.08580	3.3
254.05757	2.9
254.09323	1.0
255.06470	1.6
255.10263	0.9
256.07376	1.4
257.04477	1.5
263.07037	5.2
264.07837	2.3
265.05365	1.5
265.08554	18.0
266.05814	1.5
266.09174	3.2
267.06631	3.7
267.10168	11.2
268.07275	3.1
268.10620	2.3
269.07983	1.7
271.06036	2.6
271.09207	0.8
277.04944	1.8
277.08548	1.6
278.05716	2.2
279.06454	3.7
280.07239	5.7
281.07980	4.2
282.05624	1.2
282.08862	3.3
283.06342	1.5
283.09631	2.0
284.06653	1.9
285.04221	1.0
285.07382	1.7
291.06625	4.4
291.09760	0.9
292.07187	4.0
293.08035	24.2
294.05490	1.5
294.08737	5.5
295.06049	3.6
295.09586	23.9
296.06750	1.5
296.10208	2.9
297.07541	3.9
297.11337	3.8
299.09195	2.9
300.06293	4.1
305.07910	1.6
306.08920	1.4
308.06686	2.5
309.07678	4.7
309.10812	1.3
310.08237	5.1
311.09140	3.6
312.09851	2.2
313.07010	2.4
314.07791	3.0
315.08533	9.3
316.09360	0.9
323.09058	5.7
324.09811	3.0
325.07086	2.5
325.10666	25.0
326.11417	3.9
326.27588	1.1
327.08591	8.0
327.12320	4.5
328.09256	4.6
329.10159	9.0
337.10675	2.1
339.12332	2.1
340.09454	4.3
341.10089	4.4
342.10931	18.6
343.11288	2.1
349.11349	0.8
350.11356	1.3
355.11746	100.0
356.12201	11.4
357.13293	43.0
357.17761	1.6
358.13620	2.9
359.11313	2.4
367.11691	4.0
369.13336	2.3
381.13358	4.6
399.14377	11.5
537.71912	0.8
542.34796	1.0
610.44989	0.8
618.84125	0.8
641.30017	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19532	0.8
53.04193	1.0
56.44263	0.8
63.26988	0.9
63.61586	0.8
68.16450	0.8
69.04026	3.9
69.04447	5.0
71.06791	0.8
74.59641	1.1
81.07048	1.8
83.04993	1.7
98.98383	0.9
105.03395	3.4
120.29291	0.8
126.66304	0.8
132.01991	0.8
137.05974	1.7
161.51393	0.9
170.39366	1.0
177.06943	1.1
179.08580	1.0
181.06404	1.4
192.05573	0.8
194.07277	2.6
196.05490	0.9
196.08757	1.0
199.07668	0.9
204.05830	1.3
205.06480	2.8
206.07220	1.6
207.07980	2.2
209.05937	1.2
209.09627	2.6
210.06697	1.3
211.07460	1.9
219.08060	2.6
220.05122	0.9
221.06003	2.2
221.54564	1.1
222.06741	5.9
223.07715	1.9
224.08324	4.1
225.08838	1.2
227.07089	1.9
233.05927	2.8
234.06691	2.1
235.07558	4.4
236.08206	2.8
237.05498	3.8
237.08986	6.5
238.06143	2.6
238.09668	1.4
239.03348	1.0
239.07106	5.6
239.10686	2.8
240.07652	1.0
241.05005	1.2
241.08586	4.6
249.05574	1.2
250.06250	7.9
251.06967	7.3
252.07767	6.6
253.08548	2.3
254.05754	1.3
254.09509	1.8
255.06468	1.8
255.10249	1.6
256.07330	2.2
256.10794	1.2
259.05948	1.2
263.07016	3.2
264.07764	3.5
265.08572	15.4
266.09238	4.5
267.06607	4.0
267.10150	10.3
268.07388	2.1
268.10492	2.0
269.08044	5.9
270.08792	1.8
277.08682	1.4
278.05731	2.6
279.06479	6.1
279.09726	1.4
280.07220	4.8
281.08057	6.0
281.11111	1.3
282.05508	1.0
282.08817	3.5
283.06247	2.2
283.09671	2.6
284.06952	1.0
284.10342	4.3
285.07367	1.2
286.08356	2.9
293.08078	28.4
294.08813	7.8
295.06421	1.9
295.09601	22.3
296.07172	1.4
296.10098	5.0
297.07541	8.8
297.10950	1.5
298.08209	2.7
299.09149	2.8
299.12881	2.5
300.09659	1.1
301.10596	1.5
302.07907	1.4
309.07602	1.4
309.11121	2.0
310.08337	3.5
311.09207	5.7
312.09955	5.5
313.10703	2.6
315.08420	1.6
316.09421	1.7
317.10138	4.7
324.10107	1.2
325.10742	5.7
326.11447	3.1
327.08624	3.2
327.12207	19.9
328.12909	3.0
329.10089	6.8
330.10815	2.1
331.11755	7.4
337.10602	1.5
341.13794	1.1
342.10968	4.9
343.11801	2.8
344.12488	13.2
357.13321	100.0
358.13766	9.6
359.14868	47.0
360.15146	3.2
361.12991	2.2
369.13281	3.1
383.14920	2.9
401.15894	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83687	0.7
53.03947	3.1
55.01873	2.3
55.05511	8.2
57.03406	1.0
65.03932	1.6
65.61921	0.9
67.05505	6.3
69.00150	2.2
69.00554	5.6
69.03416	4.3
69.07051	3.0
71.04983	1.1
79.05490	9.5
81.03416	2.8
81.07056	15.2
83.04982	26.1
83.05457	1.8
83.08612	1.1
91.05482	24.1
92.05833	1.1
93.07047	9.1
95.04955	6.6
95.08604	4.9
97.02885	7.9
97.06525	0.9
99.04462	3.5
103.05449	1.5
104.06265	0.8
105.07027	12.3
107.04955	2.0
107.08593	16.5
109.02850	1.3
109.06515	11.5
109.07224	0.9
109.10138	3.4
111.04434	7.4
111.08079	1.7
115.05432	8.5
117.07022	20.5
118.07346	1.2
119.04941	1.3
119.08585	16.9
121.06512	4.1
121.10158	2.6
123.08081	3.8
125.05977	1.6
125.39421	0.8
128.06258	2.8
129.06990	6.5
131.08580	9.5
133.06548	2.3
133.10110	5.5
135.08046	12.7
135.11668	1.4
137.05975	13.0
137.09604	1.7
141.06992	2.9
142.07797	3.4
143.08560	8.2
144.09035	0.7
144.54927	0.7
145.06485	49.0
145.10115	9.3
146.06792	1.9
147.08051	25.2
147.11725	2.9
147.89149	0.9
149.06041	2.5
149.09616	1.2
151.07535	0.9
153.05515	0.8
153.06906	0.9
154.07797	1.4
155.08553	8.0
156.09303	2.2
157.06493	1.4
157.10132	10.1
158.54227	0.9
159.08058	4.6
159.11687	3.5
161.09662	4.1
161.13306	1.2
163.07539	23.9
165.06992	1.7
167.07245	1.1
167.08592	3.4
168.09328	1.1
169.06490	1.0
169.10098	7.6
171.08075	3.2
171.11699	3.7
173.05975	9.4
173.09619	5.4
173.13208	4.9
174.10248	1.3
175.11209	2.6
177.09085	1.4
179.08611	2.0
180.09331	1.5
181.08731	0.9
181.10164	3.8
183.08058	2.1
183.11694	4.6
185.09616	5.0
185.13205	2.0
187.07549	1.5
187.11162	4.5
189.09146	2.5
189.12708	1.1
191.07021	8.9
191.08562	1.4
191.10692	1.2
192.07384	1.0
193.10205	3.0
194.10968	2.0
195.07985	1.5
195.10033	0.9
195.11700	3.5
197.09650	3.4
197.13312	3.6
199.11189	3.7
199.14874	2.2
201.09116	2.7
201.12746	2.4
203.10657	1.4
205.10120	1.4
205.12112	1.2
206.10867	1.5
207.10088	2.1
207.11806	2.2
209.08014	8.7
209.09724	2.0
209.13257	4.4
210.08366	1.0
211.11205	3.5
211.14870	2.7
213.09138	1.0
213.12708	2.4
215.10695	1.6
219.09996	1.2
219.11879	2.1
220.12395	0.9
221.13313	2.0
223.11275	2.0
223.14848	1.5
225.12706	1.5
227.09131	2.4
227.10991	1.0
227.14224	4.1
228.15025	1.2
229.12422	1.6
229.15901	2.6
231.11739	1.6
232.12427	1.1
233.13388	1.3
235.11417	1.2
235.14880	1.9
237.12747	3.0
237.16365	1.4
239.10736	1.1
239.14200	1.7
241.12241	1.1
249.12741	1.1
251.14339	2.0
253.15961	1.9
255.13725	5.4
257.15427	2.2
259.14957	1.2
261.12674	1.4
263.14401	1.0
265.12207	1.4
269.15536	1.3
273.14822	4.3
277.15891	1.0
279.13696	1.4
281.15512	1.3
283.13281	4.6
291.17337	1.6
293.19101	1.4
301.14322	12.0
309.18365	1.1
311.20096	2.2
319.15366	8.1
321.18558	1.2
337.18079	1.5
339.19565	2.9
349.18036	1.0
355.19427	1.1
357.20462	1.4
367.19040	1.2
371.82748	1.0
373.20490	1.1
383.18530	3.7
401.19489	6.4
409.23782	2.4
419.21021	6.6
420.21683	1.0
429.19626	1.2
435.22049	1.8
437.23178	8.6
438.23648	1.5
445.20389	1.8
447.21362	2.8
453.22815	1.5
455.24173	3.8
461.21564	1.9
463.21194	2.2
465.22559	5.7
471.23752	1.4
479.22775	32.3
480.23187	3.6
481.22131	3.3
483.23608	3.3
491.20615	2.9
497.25385	10.3
498.25531	1.6
499.22879	2.5
507.22531	1.3
509.21793	6.1
515.26172	1.2
525.24835	2.8
527.22815	4.2
541.24329	1.1
545.23804	9.8
546.23792	1.6
551.22565	2.0
569.23816	2.4
587.24829	2.6
590.36133	1.1
605.25867	100.0
606.26166	16.0
640.29980	1.5
641.31042	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.7
57.07078	1.4
62.25063	1.2
67.05504	3.0
67.93999	1.8
67.95989	1.3
69.07066	2.9
69.19632	10.0
69.20044	2.2
71.05006	3.0
79.05504	2.7
81.07069	6.3
83.04977	1.5
83.08620	2.6
88.20844	1.8
91.05505	3.5
93.07033	7.1
95.08618	8.0
97.25539	1.9
98.22539	1.8
104.11530	1.4
105.07053	10.1
107.08614	4.9
109.10159	4.2
119.08602	6.2
121.06491	1.4
121.10167	7.4
123.11722	2.2
131.08554	2.1
133.10155	4.5
135.11700	3.0
137.06026	1.5
137.09654	2.4
139.11212	10.5
145.10144	3.2
147.11676	7.1
149.13298	1.6
159.11739	2.3
161.13240	1.7
181.06563	1.5
184.05226	1.6
199.07619	6.2
201.16478	3.2
203.17900	7.9
211.73895	1.7
219.17439	22.5
227.07053	13.1
228.07668	1.6
237.18399	7.0
241.08670	2.9
254.21271	2.8
255.06538	3.6
257.08221	3.5
259.09784	2.8
285.07626	5.2
286.08444	6.9
287.06116	1.4
287.09128	7.6
297.14697	1.8
317.10367	2.9
325.14371	6.8
331.65811	1.7
355.15686	2.5
357.16953	1.8
372.15369	2.0
387.18027	100.0
388.18246	8.1
398.32559	1.5
542.39056	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88922	1.5
55.05508	4.5
56.01170	1.4
57.07065	2.7
67.05508	11.4
69.07067	5.6
69.25029	1.6
74.55264	1.4
79.05499	3.4
81.07050	15.6
83.08610	2.8
91.05473	6.2
93.07056	9.7
95.08610	41.0
97.10171	1.5
98.22546	3.5
102.38452	1.7
105.07035	39.0
106.07334	1.8
107.08587	13.5
109.10159	15.1
119.08595	24.1
121.10121	10.8
123.11708	7.2
131.08580	2.7
133.10129	18.5
135.11652	3.4
145.10129	2.3
147.11703	26.0
159.11821	1.9
161.13277	10.6
163.14818	2.2
165.44107	1.6
175.14821	2.0
198.06734	1.6
203.17964	100.0
204.18275	4.9
219.17491	2.3
221.18950	2.6
227.07059	4.1
241.08559	2.7
242.09348	2.0
257.08167	1.7
263.28998	1.6
269.08228	3.4
270.08813	2.6
271.09552	3.6
273.11237	2.2
286.08292	2.9
287.09100	6.5
297.32532	1.6
301.10660	6.6
302.11505	12.8
317.98419	1.5
325.14511	6.0
331.11636	1.8
340.16736	11.7
341.17410	2.0
371.18463	6.2
387.17920	3.8
388.18573	2.9
389.19644	2.6
403.21173	56.1
404.21478	7.7
529.61926	1.6
630.25537	1.7
657.06268	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01871	2.9
55.05513	18.8
57.03432	11.0
57.07077	41.6
58.82604	1.3
65.03947	3.7
65.67635	1.6
66.02475	1.7
67.05505	55.1
69.03436	2.9
69.07070	24.7
70.49213	3.0
71.04993	3.6
71.08633	30.1
79.05495	33.6
81.03421	4.3
81.07055	66.8
83.04974	8.7
83.08619	17.9
85.06546	2.0
85.10183	17.0
89.06035	2.8
91.05481	27.7
93.07043	40.1
93.07616	2.4
95.04974	10.0
95.08608	42.4
97.06525	10.5
97.10178	6.9
98.22681	1.8
99.08099	2.4
105.07034	21.1
107.04971	4.4
107.08594	21.2
109.06530	2.7
109.10151	15.3
111.08113	1.7
117.07018	11.8
119.08584	17.3
121.06503	2.3
121.10130	13.4
123.08059	1.8
123.11715	6.3
125.09608	2.6
129.07007	4.2
131.08562	11.8
133.10120	18.2
135.08043	2.6
135.11659	11.7
137.09671	3.0
137.13208	2.4
143.08566	2.5
145.10118	11.3
147.11723	6.3
149.09645	7.9
149.13249	8.9
151.11256	1.6
157.10162	3.6
159.11726	10.2
160.12094	1.7
161.09636	2.0
161.13303	2.1
163.05191	1.4
163.11165	5.2
171.11731	2.0
173.13243	3.2
177.12759	4.2
179.14362	1.6
185.13176	1.7
195.13818	7.5
227.12785	1.7
229.19489	2.6
234.52789	1.8
239.17896	3.0
239.23750	5.6
247.20581	2.6
255.15919	15.5
257.19080	7.8
267.15921	3.1
269.17502	19.0
275.20062	28.5
276.20410	2.0
291.19650	2.8
313.27359	75.3
314.27631	5.4
331.42108	1.6
341.26645	2.5
349.23755	13.6
367.24768	3.7
493.38895	16.1
505.39151	1.7
507.40448	100.0
508.40863	12.2
547.43561	2.9
581.23016	2.5
587.46759	13.0
605.47308	3.2
610.40033	1.6
641.25116	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	28.3
57.03441	11.2
57.07067	28.6
67.05512	42.1
70.73261	13.3
70.73603	9.2
71.08640	12.8
71.79529	8.7
79.05484	31.9
81.07059	40.7
83.08622	15.7
91.05481	35.5
93.07031	33.2
95.08600	39.1
97.10190	38.2
101.24358	7.7
105.07037	24.3
107.08598	43.6
109.10207	17.6
119.08558	14.9
125.09628	25.7
125.89102	7.2
131.08595	12.3
133.10112	9.9
135.11700	10.3
145.10199	15.2
147.11623	11.5
159.11755	12.5
162.74173	8.2
189.11244	17.3
227.12756	100.0
275.20123	41.7
300.59549	7.7
311.25681	13.4
313.27286	55.7
314.27899	8.6
332.55420	8.3
349.23596	29.6
370.66727	9.2
417.05939	8.4
483.36530	8.7
505.38397	10.1
587.46417	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.171
Annotation	Laricitrin 3-rutinoside
Peak:m/z	Relative Intensity
55.01860	0.4
57.03440	2.4
60.80779	0.3
61.02932	1.4
68.99784	0.3
69.03425	0.9
69.59998	0.7
69.60413	0.7
70.50824	0.3
71.04993	13.6
73.02917	0.6
75.04490	0.6
81.03423	0.7
83.04982	0.7
85.02904	17.4
87.04472	0.8
91.03970	0.4
97.02890	1.5
99.04419	0.4
102.11369	0.3
109.02887	1.3
111.00777	0.4
111.04457	0.3
127.03886	1.0
129.05476	3.6
137.02306	0.8
139.03854	0.9
145.04941	0.9
147.06514	1.0
153.01817	5.2
165.01790	1.0
167.03403	0.9
175.03792	0.4
179.03371	0.5
183.02878	0.3
193.04982	0.5
205.04921	0.4
206.05713	0.7
208.03635	0.8
216.04195	0.4
217.04988	1.2
219.02887	4.2
220.03488	0.3
229.04756	0.3
231.02771	0.3
233.04390	1.9
234.05243	1.0
243.02914	0.5
244.03674	1.3
245.04477	2.1
247.02319	0.5
259.06076	0.5
261.03891	1.2
262.04657	0.5
272.02963	0.3
273.03903	1.9
277.07068	0.6
287.05527	0.5
289.03369	2.1
290.04236	2.0
291.04532	0.3
293.51672	0.3
300.02554	0.5
301.03467	3.5
301.58163	0.3
302.03995	0.8
317.03091	0.4
317.06564	4.3
318.03680	23.1
319.04010	1.2
333.06021	100.0
334.06339	6.6
345.06052	0.6
375.07196	0.8
399.06985	0.5
477.10455	0.4
495.11386	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.171
Annotation	Laricitrin 3-rutinoside
Peak:m/z	Relative Intensity
53.03947	0.4
55.05512	0.6
57.03436	3.2
61.02923	0.5
69.03413	1.2
70.51083	1.2
71.04991	16.5
73.02893	0.8
75.04476	0.9
81.03426	0.8
83.04978	0.9
85.02901	19.7
85.65067	0.4
87.04477	0.8
91.03991	0.6
95.04946	0.4
97.02898	1.5
99.04450	0.5
104.10804	0.4
105.00137	0.4
108.02083	0.7
109.02859	1.7
111.04441	1.2
127.03913	0.9
129.05470	5.2
140.80493	0.4
145.05002	0.6
147.06505	2.0
151.03909	0.5
153.01854	4.4
163.03929	0.8
194.45381	0.4
206.05760	1.0
208.03714	0.8
212.31017	0.5
219.02902	5.6
233.04384	2.5
234.05193	0.9
243.02834	0.5
244.03647	1.7
245.04478	1.6
261.03970	1.2
269.04413	0.6
272.03195	0.5
273.03860	0.9
287.05576	0.5
289.03473	2.8
290.04193	3.4
297.03894	2.7
300.02737	0.6
301.03400	2.9
317.06528	1.3
318.03680	34.6
319.03949	2.5
333.06018	100.0
334.06366	7.0
345.05826	0.6
375.07083	1.8
387.07156	0.7
495.11392	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.0
53.50349	0.7
55.05512	26.6
62.87442	0.9
62.98259	1.0
63.01105	0.9
69.07059	0.9
71.26842	0.7
71.96009	0.8
83.04985	25.0
84.69216	0.8
91.05461	1.3
93.07060	1.0
95.04972	2.5
98.23353	2.0
102.96710	1.0
105.03398	21.7
105.04505	1.8
105.07052	1.0
120.28659	0.8
171.89212	0.8
219.08058	1.8
231.08073	1.4
233.06020	1.4
233.09599	1.5
247.07535	2.4
248.08328	3.5
249.09091	1.4
250.06337	1.3
260.08224	1.5
261.05789	1.0
261.09140	3.5
262.09970	1.7
263.06998	2.3
263.10751	3.4
264.07834	1.1
265.08698	1.9
275.07108	2.9
275.10794	1.1
276.07828	3.3
277.08606	5.1
278.09393	2.4
279.10117	4.5
280.10431	0.9
288.07462	1.1
289.08521	3.1
290.09235	2.3
291.06580	3.7
291.10147	7.0
292.07217	2.4
292.10953	2.9
293.08163	3.7
302.99811	0.8
303.10172	1.1
304.07327	2.4
305.08023	4.5
306.08896	3.9
307.09607	3.8
308.06802	1.0
308.10379	2.1
316.06989	1.2
318.08902	2.1
319.05969	2.6
319.09689	4.7
320.06775	4.3
320.10345	2.4
321.07489	2.7
321.11264	3.1
323.09146	2.0
323.12714	1.3
327.08929	1.1
334.08289	9.2
335.09146	25.7
336.09787	2.8
338.11298	1.7
349.10715	11.7
350.11462	26.0
351.08365	2.1
351.12189	6.5
366.11151	1.4
381.13315	100.0
382.13641	8.4
419.08936	15.1
420.09219	2.1
436.09326	1.2
519.14166	21.5
520.14795	2.1
541.12463	8.1
581.19781	1.6
641.18408	2.5
641.29730	1.7
642.22980	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01859	1.3
55.05513	58.6
55.37560	0.6
56.05843	1.2
60.05645	1.8
61.01732	0.6
65.03899	0.6
66.71140	0.6
67.05521	4.1
68.23174	0.5
69.03422	0.7
69.07056	1.8
69.21833	3.2
69.22246	1.7
79.05490	4.3
81.07047	4.2
83.04983	100.0
83.08613	1.3
84.05328	1.7
91.05496	4.2
93.07047	2.8
95.04964	2.1
95.08604	2.7
97.06521	1.0
98.22831	2.0
98.23378	0.6
102.99632	0.6
105.03396	9.7
105.07039	3.7
107.08598	2.3
109.06493	0.9
109.10161	1.3
117.07029	1.2
119.08608	1.9
121.10217	1.1
131.08569	2.0
133.10126	2.0
135.08076	0.9
135.11716	0.8
143.08575	1.0
145.10187	1.5
147.11684	1.6
149.09621	0.8
151.07564	0.7
157.09946	0.8
159.11690	1.5
169.10106	0.6
203.88530	0.6
207.00446	0.6
248.08275	0.9
253.08765	0.7
257.19397	0.7
258.22406	0.7
263.07047	0.7
263.10715	0.8
275.20160	2.8
275.60312	0.7
289.18039	0.6
291.10190	1.1
291.19693	0.9
293.08121	1.0
294.09003	0.7
295.06134	1.1
297.03992	1.0
298.04987	1.1
309.07721	1.8
310.08420	1.5
311.09186	0.7
313.07098	4.8
321.11145	0.9
323.09152	1.1
323.12592	3.0
324.09888	1.2
325.10727	1.3
326.07858	1.2
333.07565	1.0
335.09103	0.9
336.10205	0.7
337.11130	0.8
338.11343	0.8
339.08810	1.7
339.12436	1.0
341.10172	3.3
349.10681	10.1
349.23950	1.1
350.11447	2.4
351.08542	1.5
351.12424	1.5
353.13943	2.1
355.15375	3.8
365.10309	1.5
366.11029	1.8
367.12137	0.8
369.13416	1.0
381.13318	35.9
382.13901	5.6
387.17981	1.2
397.12778	4.3
422.19757	0.6
481.18890	0.9
505.12711	1.8
519.14325	1.8
541.12769	0.7
623.42584	2.1
641.17889	41.1
641.29285	2.1
641.42511	2.8
642.17816	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.8
55.05511	5.0
58.51661	1.9
69.45202	7.9
83.04985	2.6
86.91498	1.8
95.04972	5.6
97.91036	1.7
99.04449	19.5
99.22426	1.7
105.03393	100.0
105.04525	4.2
106.03681	2.1
127.03940	9.4
132.05672	3.4
138.31989	1.9
165.19940	2.0
207.10158	10.5
221.37547	1.7
222.06839	2.8
223.07466	3.4
225.05492	2.6
235.07596	2.1
237.05449	2.1
237.09044	4.7
239.03412	4.0
239.07024	2.2
241.14880	2.0
249.05573	4.9
250.06332	5.3
251.03432	7.8
251.06967	2.1
252.04175	4.4
253.08585	3.2
261.05414	3.3
263.06897	3.5
264.07782	4.3
265.05054	8.1
265.08652	7.4
266.05734	6.6
267.06342	3.3
277.08655	2.9
278.09454	3.2
279.06570	6.4
279.09775	2.0
280.04333	1.8
280.07153	9.2
281.04404	5.3
281.07916	3.2
282.05179	4.2
283.05997	2.8
291.06503	6.0
292.07257	11.2
293.04523	4.1
293.08096	8.2
294.05206	6.1
294.08694	3.6
295.05908	5.5
295.09683	8.3
296.06772	4.0
296.54044	1.8
297.07565	19.9
299.05701	2.5
299.09161	2.9
307.06119	4.6
307.09439	2.6
308.06842	9.2
309.07541	5.9
309.11029	1.9
311.05493	5.7
311.09003	3.7
313.07114	3.2
314.07858	2.0
321.07516	5.3
322.08347	14.6
323.09125	45.9
324.09631	12.0
325.07031	6.1
325.10739	5.8
326.07840	9.9
326.11252	2.7
327.08371	3.9
329.10263	5.0
335.09421	2.1
337.07239	3.1
337.10870	8.5
338.11432	4.1
340.09427	5.8
341.10187	2.2
348.09885	3.1
353.10190	41.1
354.10770	5.5
355.11844	22.4
356.12018	2.4
357.09927	9.7
364.09464	2.5
365.09818	2.2
366.11108	7.5
367.11667	11.5
369.13226	4.5
379.11789	8.1
385.31076	1.8
397.12988	17.1
398.13107	2.1
432.11948	4.3
519.16309	3.0
540.70758	2.6
587.95166	2.0
641.19885	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.297
Annotation	Crooksiine
Peak:m/z	Relative Intensity
50.53186	0.2
53.50978	0.3
55.05514	0.7
56.43455	0.2
67.05503	0.7
69.07076	0.4
71.31560	0.3
75.48616	0.2
79.05509	0.6
81.03432	0.3
81.07066	0.7
83.05009	0.6
83.08646	0.2
91.05476	0.7
93.07053	0.5
95.04973	0.4
95.08617	0.5
99.04459	0.3
105.03420	0.8
105.07060	0.7
107.08649	0.2
117.07046	0.2
119.08591	0.3
122.09683	0.3
133.10088	0.3
145.10112	0.3
163.11349	0.3
179.14323	0.4
198.11443	0.3
211.05251	0.3
219.14079	0.2
275.19968	0.5
277.21701	0.3
297.07687	0.3
301.30374	0.2
323.09222	0.5
328.14783	0.4
337.10666	0.3
342.16208	0.3
347.09283	0.3
355.12036	0.4
377.17834	0.7
378.18365	0.7
379.11697	0.7
379.19336	0.9
389.17685	0.3
391.19504	1.3
392.20142	0.8
393.20834	2.4
394.21664	0.4
395.22379	0.6
397.12741	0.5
405.16614	2.2
405.21738	0.5
406.17810	1.1
406.22263	0.4
407.18698	0.7
407.22705	4.2
408.23080	0.8
418.17389	0.5
419.18365	3.2
419.23636	0.4
420.19034	2.1
421.20160	4.5
422.20755	0.9
423.21979	1.1
433.20300	5.2
434.21310	4.5
435.16763	0.4
435.21960	7.9
436.22626	1.7
447.22577	1.3
448.17914	0.4
448.22858	0.8
449.19553	7.5
449.24985	0.5
450.20126	1.3
451.21405	0.5
462.20752	0.8
463.21100	2.9
464.21951	2.0
465.23502	0.7
467.24414	0.9
475.21182	0.3
477.22839	0.7
478.23416	0.3
479.20074	1.3
480.21109	0.5
481.21964	1.8
493.21609	2.1
494.23080	3.3
495.23636	3.5
496.24579	0.5
507.24060	1.8
509.26016	0.3
521.25610	9.6
522.25708	1.5
523.27014	0.9
526.25604	0.5
535.23663	1.0
537.24396	0.3
539.22253	1.3
543.36774	1.1
549.24725	0.7
550.25177	0.5
551.26337	0.4
553.24805	0.8
563.26764	0.9
567.26013	0.3
581.27600	18.2
582.27832	3.3
609.27252	0.8
613.29950	0.5
623.43158	0.4
641.29651	100.0
642.29877	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91933	0.3
53.03934	0.8
55.01866	0.5
55.05505	3.1
57.03433	2.2
57.07058	0.5
59.04996	0.4
61.02925	4.8
65.03943	0.5
67.05506	9.4
69.03427	3.0
69.07076	3.5
71.01360	0.5
71.04993	1.1
71.30385	0.5
73.02921	2.9
74.86266	0.4
79.05480	3.2
81.03423	3.8
81.07054	6.7
83.04975	1.2
83.08614	2.4
85.02906	7.4
85.06551	0.5
87.04483	0.5
91.03950	2.7
91.05479	3.4
91.07111	0.4
93.07039	2.3
95.04963	1.6
95.08597	4.7
97.02892	4.3
97.06502	0.5
97.10172	0.9
99.00819	1.6
99.04475	1.6
101.02397	1.3
105.03402	0.5
105.07016	2.2
107.04962	0.6
107.08600	1.5
109.02874	1.2
109.06486	0.9
109.10152	7.4
111.08116	0.6
119.08576	1.8
121.06516	0.7
121.10160	1.0
123.11727	1.2
127.03922	1.6
129.07030	0.9
131.08588	0.7
133.10149	1.4
135.11668	0.4
137.05980	0.7
137.09622	1.0
137.13333	0.5
145.04973	0.4
147.11711	1.3
149.06044	0.6
149.09630	0.8
151.07567	1.2
153.05510	0.7
155.07086	0.4
155.10701	1.0
157.10123	1.1
163.03877	0.6
165.09105	2.1
167.07056	0.9
173.11740	1.9
175.07553	0.5
175.11162	1.0
177.05540	0.6
180.10242	0.4
181.04964	2.7
183.06548	1.0
183.11536	0.4
185.04327	0.5
189.09138	1.8
193.12248	1.6
195.06508	5.0
195.09947	0.9
203.05324	0.5
205.08588	0.4
205.12183	0.6
209.08092	2.3
211.13222	0.8
223.09639	3.9
229.14380	0.9
235.09697	0.7
237.11287	2.7
243.08408	2.0
248.10822	0.4
249.11174	1.9
251.12746	2.2
265.14301	0.5
266.44000	0.4
283.23853	0.4
307.15384	0.8
307.18979	0.7
317.17520	0.4
319.19003	0.7
335.40375	0.4
375.25403	3.3
413.17865	8.1
414.18320	0.8
443.31635	5.7
461.32678	16.0
462.32925	1.8
469.20407	7.2
479.33798	6.1
480.34085	0.6
641.31335	100.0
642.31635	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01881	0.7
55.05509	1.9
57.03436	2.0
61.02927	4.6
63.77729	0.3
67.05509	9.1
68.05860	0.5
69.03432	3.7
69.07067	1.3
71.04990	1.6
71.30392	0.4
72.03850	0.3
73.02923	2.5
79.05496	3.6
79.74495	0.3
81.03419	5.6
81.07057	5.0
83.04982	2.2
83.08636	1.8
85.02907	6.8
85.06562	0.8
86.09707	0.9
87.04484	0.5
91.03964	2.6
91.05487	4.6
93.07048	2.5
95.04978	2.8
95.08601	2.5
97.02905	3.5
97.06519	0.8
99.04446	1.2
101.02370	1.4
103.03957	0.4
105.07018	2.9
107.04957	0.9
107.07791	0.3
107.08593	1.6
109.02865	1.1
109.06537	1.0
109.10163	8.3
111.04388	0.6
111.08121	0.8
115.05469	0.4
117.07028	0.9
119.08594	2.6
121.06504	0.9
121.10143	1.3
123.08076	0.5
123.11707	0.7
125.65286	0.3
127.03912	1.6
129.05460	0.5
129.07028	0.9
131.08566	1.4
133.06508	0.4
133.10129	1.1
135.08087	0.7
136.22571	0.4
137.05983	0.8
137.09634	1.3
145.06516	1.1
145.10089	0.7
146.06816	0.6
147.08095	0.8
147.11702	1.6
149.05978	0.5
149.09633	0.7
149.13251	0.5
151.07625	0.4
153.05473	0.5
155.10605	0.6
157.10155	1.0
159.11740	0.7
163.07555	0.5
165.09117	8.3
167.07060	1.0
173.11722	2.1
175.11183	1.2
181.04948	0.7
181.68655	0.4
185.04341	0.4
189.09004	0.4
193.12234	1.4
195.06586	0.7
195.09912	0.6
201.44870	0.4
205.12292	0.7
209.08093	0.9
211.13408	1.0
229.14383	1.1
237.11317	0.5
243.08377	1.8
245.04550	0.4
251.12526	1.4
267.15909	0.5
413.17786	8.7
414.18152	0.8
461.33267	2.5
469.20456	6.7
479.33560	1.2
495.12802	1.7
606.26074	2.3
640.44202	0.8
641.31396	100.0
642.31702	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3894
Annotation	Cilistol j
Peak:m/z	Relative Intensity
53.03940	1.0
55.01891	0.5
55.05509	8.1
57.03428	0.8
57.07079	2.4
61.02913	0.5
65.03938	0.9
67.05505	10.7
69.03419	2.5
69.07065	11.9
71.04974	1.1
71.08620	0.9
71.31100	0.5
79.05486	3.8
81.03413	2.0
81.07053	21.3
82.07368	0.6
83.01347	1.3
83.04970	1.3
83.08624	4.2
83.61079	0.4
85.02894	5.5
85.06538	1.9
91.05460	2.4
93.07042	2.5
95.01284	0.9
95.04948	1.5
95.08605	16.3
97.02880	1.8
97.06529	0.8
97.10175	2.4
99.00809	6.5
99.04446	3.2
105.07041	1.3
107.04969	0.8
107.08598	2.2
109.02866	1.4
109.06494	1.0
109.10146	7.1
111.04397	0.5
111.11737	0.6
113.02372	1.3
115.05398	0.5
117.01854	1.0
117.07002	0.9
119.04954	0.7
119.08596	1.2
121.06502	1.0
121.10206	1.0
123.04427	0.4
123.08098	0.6
123.11691	2.9
125.06001	1.2
127.03901	1.1
129.07007	0.8
130.15927	0.5
131.08566	0.9
132.91899	0.4
133.06546	0.9
133.10117	1.2
135.04402	1.3
135.08031	1.0
137.05983	1.7
137.13272	1.4
139.07515	0.6
143.08591	0.6
145.10100	1.2
147.08109	0.5
147.11687	0.7
149.06020	1.6
149.09608	1.1
151.07552	1.3
153.05438	2.8
155.07088	0.5
157.06511	0.5
157.10129	0.6
159.11742	0.7
161.06010	1.1
161.09627	0.8
163.03947	1.1
163.07521	2.0
165.09122	2.0
167.07021	0.7
169.04953	0.6
171.08015	1.1
173.06036	0.5
175.07541	2.5
175.11292	0.9
177.05490	3.6
177.09116	1.5
179.10716	0.9
181.04955	13.9
182.05408	0.5
183.06557	4.5
189.09106	10.1
191.07036	1.7
191.10693	1.4
193.12187	1.1
193.48668	0.5
195.06519	26.6
196.06921	0.9
199.06172	0.4
203.10690	2.5
205.08670	1.0
205.12325	0.5
207.06537	1.8
209.08081	13.6
211.13306	0.5
215.10490	0.6
217.12270	0.6
221.08171	1.3
223.09636	17.6
224.09915	0.6
231.13713	0.5
235.09666	2.3
237.11197	19.8
238.11525	0.6
249.11215	9.9
250.11617	0.9
251.12772	5.9
261.11453	0.6
263.12762	3.5
265.14423	3.0
277.14398	1.9
279.15909	1.0
289.06781	0.4
291.15936	1.3
293.17484	2.2
297.04025	0.5
303.16281	0.4
304.02884	0.4
305.17392	1.6
307.18991	4.4
319.19070	3.4
321.20718	0.5
333.20688	0.7
347.22333	1.1
361.23743	0.6
379.24799	0.9
443.31439	4.1
461.32608	100.0
462.32947	10.1
479.33713	41.1
480.34018	4.5
487.49756	0.4
551.23468	0.5
594.31573	0.4
641.30579	2.7
641.40314	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
54.28230	0.5
55.01868	1.1
55.05504	2.3
57.03435	10.7
59.05000	1.0
61.02921	2.0
64.97730	0.5
69.03416	4.3
71.01363	0.9
71.04992	59.2
72.05312	1.0
73.02919	2.9
75.04477	5.8
81.03418	3.2
83.04981	10.6
85.02902	100.0
86.03236	0.8
87.04472	1.8
87.80652	0.5
97.02888	6.4
99.04447	2.0
101.05991	0.9
103.03941	1.2
109.02876	1.5
111.04440	7.1
118.98522	0.5
123.04442	0.9
127.03921	7.1
129.05476	46.3
130.05815	1.0
137.02327	12.7
139.03793	0.6
144.08087	4.0
145.04955	5.9
145.08328	0.5
147.06519	29.9
148.06865	0.8
155.03383	12.2
161.10738	0.8
163.06023	1.8
164.09192	2.0
165.07645	1.0
177.05554	0.6
180.08640	1.2
183.58144	0.5
197.05927	0.7
199.07599	0.7
202.00185	0.5
224.89236	0.6
225.07492	1.4
237.07481	1.1
241.08580	0.7
255.08600	3.6
273.09726	2.8
301.80621	0.5
309.11844	2.2
317.89386	0.6
361.10596	0.7
397.13007	1.3
415.13907	0.8
499.44971	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90484	1.5
53.03945	7.1
54.02118	1.5
55.05512	73.2
58.95388	2.0
68.99794	2.8
69.03442	2.0
71.32482	2.8
75.04469	4.8
79.11006	1.7
83.04984	100.0
84.05329	2.3
91.05521	2.0
95.04972	5.9
99.04453	45.0
100.04783	2.8
105.03391	47.2
105.04520	4.3
106.03716	13.9
115.05437	3.0
119.04950	7.5
119.08598	3.7
121.06487	2.5
127.03905	22.4
128.04190	2.8
132.05734	14.4
137.02335	3.1
142.34647	1.7
147.08040	6.8
149.06003	2.5
175.07587	4.7
178.06178	2.6
179.10744	4.9
182.07159	1.7
194.07307	1.7
195.06548	5.5
199.21616	1.9
205.06583	2.2
207.10158	44.0
208.10522	2.6
209.05904	2.8
211.07620	1.7
211.89899	1.6
222.06802	3.8
223.03938	3.1
223.07635	2.2
224.08269	1.9
225.05444	2.2
225.11232	3.1
226.06219	2.7
233.05920	2.7
234.06679	2.4
235.07588	4.9
236.08420	2.4
237.05547	3.6
237.09157	7.1
238.06165	2.3
238.09592	1.6
239.03424	7.1
239.06985	3.4
247.07518	2.7
249.05528	5.0
250.06163	5.8
251.03398	14.2
251.06993	8.8
252.04135	5.9
252.07643	4.5
253.04962	6.9
253.08582	6.0
255.06377	5.2
256.07385	2.9
262.06271	2.2
263.07040	8.7
264.04095	3.9
264.07623	6.0
265.05261	8.2
265.08481	13.8
266.05713	15.7
266.08859	2.8
267.02884	3.5
267.06354	9.0
267.09845	2.1
269.04556	1.9
269.08105	2.3
275.07007	2.5
276.07825	3.8
277.05200	2.5
277.08499	4.1
278.05667	3.8
278.09024	2.4
279.06540	11.4
279.09619	3.0
280.04092	3.6
280.07257	15.2
281.04324	5.9
281.08124	7.0
282.05200	12.1
282.08698	6.0
283.05832	4.8
283.09613	2.3
287.09152	5.7
290.05615	2.8
291.06494	7.6
292.07324	10.9
293.04425	9.5
293.08032	14.8
294.05173	12.7
294.08755	8.6
295.05908	7.9
295.09634	15.7
296.06693	6.5
296.09973	4.0
297.07599	76.7
297.10941	3.6
298.08047	10.5
305.08044	5.7
306.08633	4.1
307.06039	10.0
307.09689	4.6
308.06821	15.5
309.04337	2.5
309.07489	9.5
309.11282	4.8
310.08145	5.0
311.05441	11.1
311.09140	7.3
312.06253	2.3
312.09906	4.3
313.06989	11.0
313.10800	5.2
314.07565	2.0
315.08569	4.1
321.07523	7.7
321.11136	3.0
322.08173	14.4
323.05319	5.0
323.09100	77.9
324.06140	3.4
324.09689	22.1
325.07010	13.0
325.10651	9.2
326.07739	21.3
326.11224	2.8
327.08316	5.5
327.12140	3.3
328.09308	3.8
333.07556	2.9
335.08997	2.6
336.09875	2.6
337.10590	16.0
338.11304	7.1
339.09161	9.2
339.11871	9.5
340.09222	13.8
341.09943	2.4
348.09991	4.8
349.10590	3.3
351.08640	2.1
353.10156	31.5
354.10629	6.1
355.11746	61.6
356.12097	10.7
357.09512	3.1
364.09402	2.5
365.10175	7.2
366.10846	7.0
367.11783	16.1
368.12027	5.7
369.13287	30.0
370.13736	2.9
379.11658	16.8
380.12387	2.4
385.12967	2.2
397.12753	65.9
398.13171	10.9
410.13693	2.8
415.13672	4.0
419.11264	3.4
420.11157	4.5
425.12161	4.7
440.14413	3.3
455.17047	10.9
542.15033	8.9
543.15198	2.6
599.33295	1.7
642.09497	2.6
642.20276	36.8
643.20209	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.7
55.01872	2.8
55.05513	84.2
59.05005	4.1
68.99776	3.0
71.31657	4.2
83.04985	100.0
84.49384	2.2
91.05501	3.6
93.23057	2.3
95.04998	4.1
99.04458	45.4
100.04821	2.8
105.03392	53.2
105.04489	2.9
106.03714	10.3
115.05438	3.0
119.04935	3.8
119.08561	2.9
127.03924	25.1
132.05696	11.2
137.02336	3.9
147.08063	7.0
152.00421	2.1
155.34821	2.2
167.03348	2.4
175.07497	3.8
179.10689	6.3
188.68799	2.2
195.06551	6.4
205.06541	3.8
207.10167	41.9
208.10527	3.7
209.09827	2.6
222.06761	4.4
223.04041	2.4
223.07361	3.9
225.05429	3.4
225.11227	3.6
226.05956	2.9
235.07523	4.2
237.09155	7.0
238.06395	2.6
239.03548	5.6
239.06969	4.1
240.04089	2.8
248.07909	2.7
250.06102	8.8
251.03366	14.5
251.06964	5.7
252.04012	5.0
252.07849	2.5
253.04977	6.4
253.08418	4.0
255.06596	5.9
256.07336	4.1
262.06351	2.9
263.07117	9.2
264.07776	4.2
265.04861	7.3
265.08597	10.9
266.05756	15.3
266.08823	4.0
267.02890	5.4
267.06409	6.7
268.03647	2.6
275.07062	2.8
277.04922	3.0
277.08475	3.8
278.05765	4.2
278.09164	5.1
279.06702	11.6
279.09628	3.5
280.03879	3.2
280.07257	13.9
280.10065	2.0
281.04669	4.1
281.08047	9.7
282.05124	6.9
283.05988	4.0
287.09113	6.1
291.06393	7.0
292.07266	8.3
293.04449	7.0
293.07983	14.1
294.05124	11.8
294.08755	8.7
295.05844	9.1
295.09662	12.2
296.06726	5.6
296.10089	6.8
297.04303	2.8
297.07581	74.1
298.04843	3.6
298.07990	9.2
300.36740	2.2
305.08194	6.8
306.08804	3.2
307.05942	5.7
307.09436	5.7
308.06775	17.4
309.07568	12.7
309.10886	3.2
310.08231	3.5
311.05487	16.2
311.09131	5.8
312.05984	3.9
312.09674	3.8
313.07037	9.6
313.10349	2.8
315.08551	4.6
321.07617	5.3
322.08127	10.4
323.09125	75.8
324.09619	21.6
325.07037	11.1
325.10699	8.6
326.07758	18.5
326.11081	4.3
327.08582	5.6
333.07678	3.7
337.07254	3.4
337.10696	15.3
338.11298	10.7
339.08633	5.7
339.12219	8.2
340.09338	9.5
341.09976	3.7
348.09863	6.3
349.10803	3.7
350.07767	3.0
351.08615	3.4
351.12433	4.5
353.10199	32.9
354.10730	7.1
355.11746	71.1
356.12003	16.5
357.09427	3.2
365.10190	11.0
366.10852	8.3
367.11935	19.0
369.13312	31.9
370.13602	7.5
379.11832	17.7
380.12250	3.1
397.12823	66.0
397.18094	3.7
398.13086	8.7
419.11020	3.9
420.11444	6.7
455.16904	10.7
479.16953	2.9
542.15039	12.2
642.20135	42.5
642.30103	4.3
643.20392	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93127	1.7
53.03935	2.1
55.05507	4.1
67.05496	6.8
69.03431	14.4
69.07062	5.2
70.93300	1.6
71.04951	2.9
73.02911	6.1
79.05477	7.7
81.07059	12.0
83.04964	6.9
85.02905	2.5
85.06541	2.4
91.05487	10.6
93.07049	12.4
95.04975	4.1
95.08607	11.1
97.02888	11.6
97.06532	7.7
98.23354	4.2
99.04477	2.9
105.07045	15.1
107.04971	2.2
107.08596	13.0
109.06515	18.0
109.10161	5.0
111.08060	5.2
115.03963	2.9
117.07028	6.2
119.08582	12.6
121.06465	3.1
121.10181	10.2
123.08064	7.3
125.06004	7.5
128.06247	2.5
129.07019	5.2
131.08577	12.9
133.06480	4.2
133.10118	9.8
135.08073	6.3
137.05939	3.6
137.09593	3.4
139.07526	2.6
141.06993	6.0
142.07823	2.0
143.08557	18.0
145.06462	6.2
145.10100	18.7
147.08017	9.6
147.11661	6.6
149.09639	5.0
151.03931	1.9
151.07474	2.8
153.07034	2.5
155.08563	10.8
157.06496	4.1
157.10123	13.2
159.08130	9.7
159.11726	10.7
161.09624	10.1
163.11292	2.6
165.06987	2.6
165.09111	13.2
167.07040	5.9
167.08562	7.2
168.09251	2.7
169.10129	11.6
171.08038	5.3
171.11705	12.8
173.09593	9.3
173.13271	4.2
175.11172	5.0
179.08525	6.2
179.10715	2.3
180.09271	2.6
181.08698	2.8
181.10078	13.8
182.14386	1.7
182.67418	1.8
183.07999	1.8
183.11722	8.1
184.07358	4.4
185.09628	7.5
185.13260	4.1
187.11162	8.5
189.09113	3.9
191.08553	1.8
191.10587	2.1
192.09372	2.9
193.10153	11.1
194.10887	2.8
195.08032	2.9
195.11656	9.6
196.08830	2.3
196.12383	2.9
197.09644	6.8
197.13274	9.1
199.11165	5.5
201.12805	2.2
202.07787	2.5
203.08627	2.5
203.10632	4.7
204.92152	2.1
205.10097	5.4
205.12164	3.5
206.10938	4.9
207.11691	8.1
209.09665	4.2
209.13232	12.4
211.11098	4.0
211.14824	5.0
212.59683	1.9
213.12653	4.3
217.10252	4.0
218.10760	2.1
219.11658	4.8
220.12498	3.6
221.13412	9.0
222.10303	2.3
223.11209	4.9
223.14848	5.1
225.12660	5.3
225.16374	2.7
227.14307	4.3
230.10873	3.7
231.11652	5.1
232.12440	3.2
233.13278	6.9
234.13905	2.4
235.11168	5.0
235.14842	12.0
236.15613	2.7
237.12741	5.8
237.16338	8.7
239.14229	4.2
243.11729	2.9
244.12476	2.3
245.13206	7.2
246.14001	2.2
247.11183	3.2
247.14833	7.9
249.16422	2.8
250.13303	2.7
251.14301	5.3
251.17966	2.5
253.15839	6.9
257.13052	2.7
259.14987	3.5
260.15744	2.3
261.16501	4.3
263.14291	15.2
263.17892	3.9
264.14957	6.0
264.18381	2.3
265.15903	13.1
265.19476	6.0
266.16650	4.1
267.12280	6.2
267.17169	2.2
273.16287	2.9
275.14252	3.4
275.18069	4.4
276.18533	2.2
277.15839	6.8
277.19485	1.8
279.17389	4.0
281.15253	5.1
281.18915	3.0
283.17038	3.0
283.20483	5.2
287.17825	3.4
291.17447	3.3
293.15668	4.1
293.19003	26.2
294.19568	2.9
295.17062	2.4
295.20462	3.6
303.17288	3.1
305.15585	2.7
305.18869	4.7
311.20032	21.4
312.20483	2.5
323.16412	3.4
323.20065	5.0
325.21637	3.4
327.17017	2.1
333.18433	3.4
339.15909	3.9
341.17462	6.8
341.21210	3.9
347.15036	2.4
347.19690	2.9
351.19534	7.0
369.20651	14.4
387.21609	30.0
399.21701	2.2
407.22131	3.6
409.19897	3.0
423.21408	2.7
425.23083	7.2
435.21323	4.2
437.23367	3.9
441.22571	3.5
443.24319	10.6
444.24768	3.0
449.23416	3.2
453.22705	64.1
454.23135	8.4
455.24237	6.7
457.25690	4.4
465.22733	2.9
467.24139	7.5
471.23822	100.0
472.24203	11.7
473.25101	6.7
483.23798	15.5
484.24362	2.6
485.25278	7.0
489.24887	5.2
493.22330	3.8
501.24869	29.5
502.25134	4.4
503.22348	2.2
511.23221	13.8
513.25000	2.5
515.26563	4.0
519.25549	4.9
524.29706	1.9
529.24298	42.4
530.24371	4.4
531.25885	99.7
532.26135	14.5
533.27344	3.2
545.26898	3.6
547.25409	33.6
548.25433	3.1
561.26904	24.3
562.27441	3.1
571.25018	2.2
589.26263	4.2
607.27484	2.8
642.30261	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.3
55.05516	2.8
63.76454	1.7
67.05509	5.9
69.03440	9.7
69.07058	4.2
71.04970	1.7
73.02922	2.7
79.05497	7.5
81.07061	6.1
83.04979	4.2
85.02918	1.8
91.05486	9.7
93.07073	8.4
95.04980	5.0
95.08613	7.6
97.02892	8.9
97.06522	4.3
98.23385	7.0
100.60310	1.7
103.05492	2.7
105.07009	11.2
107.04948	2.9
107.08617	11.6
109.06513	16.0
109.10176	4.8
111.08080	5.4
113.05978	2.0
115.03996	2.0
117.07014	5.8
119.08559	12.5
121.06535	4.5
121.10147	5.3
123.08058	7.9
125.06007	3.1
129.07022	9.4
131.08549	13.6
133.06479	3.2
133.10150	8.0
135.08064	4.5
137.05893	3.8
137.09666	3.0
139.07565	3.4
141.06993	5.1
142.07790	2.7
143.08582	12.8
145.06474	3.9
145.10107	12.9
147.08035	3.5
147.11708	3.0
149.09647	2.8
151.07591	3.5
153.07021	2.6
153.09158	2.0
155.08624	8.7
156.09274	2.5
157.10118	12.0
158.07283	1.9
159.08058	9.2
159.11723	7.8
161.06023	2.3
161.09634	7.7
163.11188	2.2
165.07004	2.7
165.09152	5.8
167.07053	13.2
167.08557	6.6
169.10156	8.9
170.10576	2.2
171.08070	6.9
171.11697	8.0
173.09595	9.6
173.13231	2.9
175.11165	3.5
179.08545	6.8
181.04996	4.5
181.10075	8.5
182.10846	2.2
183.11719	8.0
184.07291	2.8
185.09644	7.7
185.13266	3.3
187.11264	6.4
189.09177	2.3
189.12764	2.9
191.08592	2.1
191.10741	2.8
193.10188	8.2
194.10890	2.1
195.11693	9.2
197.09572	4.8
197.13228	5.7
199.11150	5.0
201.12764	2.5
203.10672	2.0
205.10147	7.1
206.10878	3.0
207.08139	2.5
207.11667	10.1
209.09683	4.3
209.13217	9.5
210.13962	2.2
211.11185	5.3
211.14876	4.3
213.12709	3.6
215.10724	2.9
217.10223	4.0
218.10886	3.1
219.11682	5.7
220.12372	5.0
221.13240	5.8
222.13939	2.6
223.11246	3.3
223.14903	6.5
225.12756	4.6
227.14247	3.9
230.10832	2.0
230.40115	1.8
230.42513	2.4
231.11752	4.8
232.12404	2.8
233.13333	6.2
235.11235	3.1
235.14882	9.9
237.12811	4.7
237.16443	6.4
239.14246	3.6
239.18097	2.4
243.11771	2.2
244.12692	2.7
245.13251	5.7
246.14003	2.0
247.14847	5.6
249.12683	4.5
251.14368	6.6
251.17952	2.6
253.15872	6.0
257.13074	2.7
260.11899	2.2
261.12659	2.2
263.14322	11.0
263.17874	2.6
264.15109	4.8
265.15900	11.1
265.19171	3.0
266.16708	2.4
275.14429	3.5
275.17883	2.7
277.15842	6.8
277.19479	1.7
281.15472	4.9
283.16925	3.0
283.20410	3.1
291.17566	3.8
292.17990	2.6
293.18961	16.5
295.20435	2.3
305.18997	6.0
311.16711	2.5
311.20081	7.3
317.18890	2.4
321.14746	4.5
323.20117	2.7
333.18414	3.4
339.15900	3.9
341.17380	3.3
351.19589	3.6
353.21170	1.9
369.20673	6.5
387.21695	10.3
391.18939	2.2
417.15393	6.6
425.23227	7.1
441.22162	2.4
443.24887	9.5
444.24951	5.1
445.11655	2.6
453.22824	38.4
454.23407	10.2
455.24289	2.7
457.26080	2.4
463.12994	2.2
465.22885	4.1
467.24179	6.0
471.23788	100.0
472.24393	12.6
473.25262	4.9
483.23965	11.1
485.25430	6.0
489.24823	6.7
493.22070	5.1
501.24844	27.3
502.25296	4.1
503.22809	5.8
511.23459	14.1
513.24701	2.6
519.25897	5.8
529.24341	37.0
530.24725	6.6
531.25909	66.7
532.25970	5.9
545.27478	3.1
547.25385	26.5
548.25806	4.0
549.26721	4.8
561.26837	10.9
571.25500	3.1
583.18726	4.3
589.26636	3.6
601.19916	2.0
643.23071	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54909	2.9
55.01883	5.1
55.05537	5.1
62.53518	3.2
67.05531	3.5
67.30732	3.5
68.63104	3.0
69.03442	10.8
69.07077	6.4
70.71555	7.9
71.05002	4.6
79.05505	6.9
79.63023	2.9
81.07078	9.1
83.04990	8.7
84.99044	3.2
85.02922	10.0
87.04449	3.8
91.05500	14.9
93.07061	11.0
95.05020	4.2
95.08611	10.1
97.02912	15.9
97.06537	7.7
97.35072	3.2
101.92494	3.0
105.07063	15.4
107.08607	12.1
109.06539	24.3
109.10162	5.7
110.49382	3.2
111.08076	7.7
112.96861	3.1
117.07039	8.0
119.08580	19.9
121.06516	6.4
121.10168	9.1
123.08080	7.7
124.58855	3.0
125.02325	3.8
128.06201	3.5
129.07016	3.8
130.07808	3.6
131.08618	16.5
133.06561	4.8
133.10159	9.8
135.08115	6.9
137.06009	12.5
141.07053	5.9
143.08572	16.0
145.06490	3.7
145.10103	20.0
147.08116	6.2
149.09668	5.3
153.07016	4.2
155.08612	11.7
157.10172	13.4
159.08125	6.0
159.11734	9.3
161.09685	10.3
165.06975	5.1
167.07153	3.3
167.08582	11.9
169.10133	21.7
171.08150	4.1
171.11705	14.3
173.09698	10.2
175.11229	11.6
179.08560	7.4
181.10117	12.9
182.10930	5.7
183.11737	12.6
185.09758	7.5
187.11230	20.1
192.09421	4.8
193.10216	10.9
194.10831	4.2
195.11746	13.1
197.09674	6.2
197.13382	8.2
199.11195	4.6
201.12674	4.3
203.10580	3.5
205.10181	5.0
206.10915	6.5
207.11723	9.6
209.09756	6.4
209.13242	17.2
211.11214	7.4
211.14873	7.7
213.12779	7.7
217.10072	7.0
218.10980	3.8
219.11710	9.3
220.12584	5.9
221.13289	13.7
222.10188	4.0
222.13884	4.7
223.11322	6.2
223.14890	10.7
225.12755	7.0
227.14430	4.7
230.10970	3.8
231.11671	4.6
233.13203	6.5
234.43179	3.3
235.11205	5.0
235.14812	15.6
237.12814	5.5
237.16417	8.8
239.14297	4.2
245.13306	11.0
247.14803	8.3
248.11865	5.1
249.12816	5.0
249.16531	6.8
251.14453	5.2
259.14825	6.5
261.16193	5.0
263.14420	11.0
264.15149	9.3
265.15976	12.0
265.19498	11.5
266.16687	6.8
273.16449	4.8
275.14380	5.0
275.17917	6.5
277.15933	4.9
279.17383	3.5
281.15439	5.0
289.19708	3.6
291.17490	11.2
293.18961	45.8
294.19583	11.4
305.19122	5.0
311.20050	100.0
312.20596	7.0
315.17407	5.3
323.20090	8.0
325.21768	5.0
333.18463	6.5
339.15884	7.8
341.17477	15.4
341.21106	10.6
351.19574	13.2
369.20636	39.4
370.21176	3.7
387.21652	47.9
388.21918	6.1
405.22601	8.0
407.22433	5.3
435.21622	78.9
436.21985	12.7
437.22916	4.3
449.23248	5.2
453.22748	71.9
454.23035	13.0
455.24557	4.4
465.22601	10.0
471.23615	19.0
483.23929	20.9
493.22220	9.4
501.24570	5.9
511.23410	31.2
513.24542	21.8
529.24255	38.5
530.24500	4.7
531.25653	20.0
547.25317	14.8
561.27094	5.3
576.45239	4.2
583.18488	9.5
589.26227	7.9
598.08282	3.7
601.19312	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68178	0.9
55.05500	1.7
57.03423	1.0
57.10724	0.9
58.56268	0.9
67.05495	3.9
69.07063	1.3
79.05482	3.0
81.07050	3.8
91.05475	3.0
92.37014	1.0
93.07059	2.4
94.85848	0.8
95.08588	3.1
98.22654	3.2
98.23353	3.2
105.07033	1.4
107.04961	1.4
107.08591	1.4
109.06442	1.0
109.10213	1.2
117.07003	1.1
119.08559	1.9
121.10174	1.5
128.80286	1.0
129.06984	1.4
133.10201	1.0
135.08066	1.0
147.11729	1.4
173.09715	1.6
176.41368	0.9
194.73659	0.9
201.09027	0.9
202.09911	2.2
208.16917	1.0
213.05402	1.1
220.08672	1.4
235.11185	1.2
237.09073	2.8
239.10852	1.1
247.07646	1.3
248.08398	2.7
249.09062	3.6
251.07057	1.1
251.10622	1.0
252.11313	2.2
253.08545	2.0
254.09196	1.2
256.07397	2.2
263.10754	3.9
264.11401	1.4
265.08566	5.9
266.09317	1.6
267.10190	1.7
271.09625	1.1
277.08572	6.2
278.09250	1.1
279.10107	2.3
280.10956	6.2
281.11676	2.9
284.06674	1.6
289.18155	1.2
291.10150	1.8
292.10812	1.3
293.08127	3.0
293.11642	2.6
294.08810	1.3
295.13242	8.2
296.13779	1.8
297.11319	2.9
299.09473	1.2
308.10370	1.9
309.11166	7.2
323.12823	9.8
324.13571	6.7
325.10641	2.7
325.14163	1.4
327.15756	1.1
331.11798	2.5
335.25778	1.6
340.12888	2.8
355.15387	100.0
356.15897	16.0
387.18024	20.7
388.18341	2.4
624.43243	3.2
643.25244	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13450	2.2
54.09657	1.8
55.05509	3.8
57.06792	2.4
57.07077	35.4
58.23071	2.1
67.05493	4.9
69.07061	6.0
71.08635	32.8
71.33062	3.0
73.06557	7.8
81.07059	6.9
83.08621	8.5
83.30503	2.2
85.10178	15.8
87.04466	10.4
89.06032	100.0
91.05541	2.5
93.07034	4.5
95.08611	6.8
97.10188	6.6
99.11713	3.1
99.18113	2.1
104.35517	1.9
105.07027	6.1
107.07095	2.8
107.08578	3.3
109.10158	2.7
113.13251	2.6
117.09146	7.5
119.08582	2.2
121.10160	2.8
131.07086	2.0
133.08607	56.8
133.10109	3.1
145.10182	2.3
147.11719	2.9
175.09674	2.9
177.11209	23.0
203.17958	12.7
211.24312	4.8
221.13863	4.6
222.69630	1.8
239.14673	2.3
299.29520	5.1
304.11896	2.3
331.31485	2.0
340.48785	2.0
355.15414	4.1
356.80823	2.0
378.50067	2.3
415.25470	4.0
545.38202	9.2
625.48352	4.9
643.25336	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.01859	2.6
55.05275	1.2
55.05515	14.8
56.64388	0.9
57.03439	7.3
57.07077	39.7
58.36258	0.9
65.03936	2.1
67.05503	40.5
67.73003	0.9
69.07069	16.4
69.10995	8.8
71.04985	2.3
71.06854	0.8
71.08633	26.8
79.05492	24.9
79.05959	1.1
81.03387	2.1
81.07056	47.0
82.07375	1.2
83.04982	8.3
83.08627	13.9
84.13042	1.0
85.06528	2.6
85.10175	14.8
89.43816	1.0
91.05480	19.3
93.07045	30.1
95.04971	8.1
95.08609	33.5
96.08938	1.1
97.06519	6.7
97.10146	6.3
99.08105	4.7
105.07033	9.0
107.04964	1.0
107.08595	13.9
109.06538	2.1
109.10165	14.8
111.08062	2.3
117.07027	6.9
119.08569	5.5
121.06534	1.4
121.10129	6.9
123.08058	1.7
123.11719	4.8
125.09570	1.4
129.06966	1.7
131.08559	6.5
133.10141	6.3
135.08051	2.0
135.11688	5.9
137.13202	1.3
139.11157	1.6
145.10095	2.5
147.11711	2.8
149.13258	7.0
151.11205	5.1
159.11693	5.7
161.13336	1.8
163.11194	2.4
165.12747	1.7
177.12762	2.1
179.14319	1.8
195.13771	5.5
221.22461	1.0
233.15465	1.0
239.23640	4.4
241.19458	1.4
251.16373	2.4
259.20596	2.1
269.17471	8.5
277.21631	6.9
313.27359	31.9
314.27625	2.0
333.24036	1.0
336.64005	1.1
341.26923	1.0
351.25174	7.7
363.51712	0.9
381.26675	1.0
467.37128	2.6
481.02209	1.0
507.40451	100.0
508.40869	13.0
525.94965	1.2
589.48505	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95102	1.1
53.03943	3.6
55.01880	1.8
55.05510	14.2
57.03430	6.7
57.07078	34.1
65.03957	1.8
67.05502	41.3
69.07070	15.6
69.10596	2.9
69.10997	9.7
71.04998	3.4
71.08639	23.9
79.05489	22.5
81.03416	2.0
81.07056	38.4
82.07390	1.7
83.04980	6.5
83.08624	14.3
85.06559	1.5
85.10185	11.3
91.05493	15.2
93.07049	20.2
95.04995	6.3
95.08604	26.2
96.08958	1.5
97.06538	4.1
97.10169	7.1
99.08118	4.1
101.07275	1.2
105.07033	7.2
107.08611	12.9
109.06542	2.9
109.10155	12.3
111.08051	3.1
117.07013	4.9
119.08591	5.6
121.10145	6.8
123.11702	4.1
126.09974	1.4
131.08577	3.9
133.10139	6.4
135.11717	2.6
137.13281	1.3
145.10130	1.9
147.11668	4.0
149.13228	7.6
151.11201	4.7
154.79639	1.3
159.11705	5.3
161.13281	2.0
163.11224	2.3
165.12894	1.2
177.12733	2.4
195.13855	6.8
218.02031	1.7
227.12938	1.2
229.14461	2.4
239.23766	4.8
241.19456	2.0
251.16438	1.9
253.56715	1.4
259.20627	1.7
262.25568	1.3
269.17450	17.5
277.21579	8.2
296.43866	1.3
313.27368	41.5
314.27747	3.4
351.25360	9.9
375.69867	1.4
439.61591	1.4
455.73483	1.3
467.37622	7.0
507.40451	100.0
508.40802	18.4
589.47784	5.1
607.08795	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.6
69.03429	2.9
70.15926	1.6
70.91337	2.9
70.91676	2.7
85.02953	2.3
91.05466	3.1
103.05466	2.3
115.05484	3.0
119.04956	5.2
123.04422	47.4
123.05282	2.5
135.04446	3.0
139.03940	2.5
147.04408	42.0
152.47139	1.8
161.05977	11.9
163.03949	5.7
165.05467	4.9
172.92949	2.1
173.06082	2.5
175.03859	4.2
177.05438	9.3
183.04382	3.3
187.03886	2.5
189.05464	48.5
190.05923	2.3
199.03926	3.4
201.05443	6.8
203.03389	78.6
204.03755	3.1
207.04494	2.7
211.03885	6.9
213.05490	3.7
217.04918	12.9
227.03369	2.7
229.04965	8.2
233.04401	9.7
239.03374	2.2
245.04482	21.5
253.04973	18.4
255.02660	3.5
255.06604	3.3
257.04446	59.7
258.04849	3.6
259.05978	6.0
269.04449	3.6
271.06042	7.1
272.06628	2.1
275.05569	4.5
281.04385	18.0
283.06046	4.4
287.05530	5.5
299.05548	23.6
311.05383	3.6
391.08221	9.9
405.09659	2.9
409.09155	100.0
410.09393	5.5
415.07724	2.8
433.09113	7.5
451.10358	6.3
473.10748	3.7
585.04175	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.9
55.05518	13.4
67.05515	2.4
68.53094	0.8
68.60406	0.9
69.07078	1.2
69.47340	5.5
79.05507	2.4
81.03421	1.2
81.07063	3.1
83.04985	15.0
89.06041	1.1
91.05477	2.2
93.07033	2.3
95.04956	5.2
97.06602	0.8
98.23314	1.6
99.04485	0.9
99.74190	0.8
105.03393	36.4
105.04474	1.5
105.07040	2.0
106.03714	1.4
107.08583	1.3
117.07045	1.4
119.08646	1.2
121.10181	1.3
128.06216	0.9
133.10208	0.8
135.52295	0.9
137.06030	0.9
143.08546	1.1
145.10182	1.1
159.11633	1.2
160.93117	0.8
161.09593	0.9
165.05502	3.1
165.07027	4.0
167.03458	1.9
167.07098	2.5
167.08466	1.1
179.08611	2.3
182.07266	8.3
185.06041	1.2
188.08350	2.6
194.07259	1.1
195.08153	2.0
196.08806	1.9
197.09648	7.5
199.07599	1.6
203.10712	6.3
205.12206	0.9
207.08028	1.8
209.09613	1.2
210.06781	14.1
211.07402	1.7
212.08421	1.0
213.05579	1.0
219.08112	1.0
222.06743	1.5
223.03920	1.0
223.07591	1.8
224.08266	1.9
225.05516	2.4
225.09093	36.6
226.06264	2.0
226.09467	2.8
227.07068	2.7
231.10158	2.9
235.07579	3.6
237.05469	1.4
238.06253	11.4
239.03403	1.1
239.06909	2.1
240.07867	4.1
241.08463	2.2
242.09315	3.1
248.08321	1.2
249.09097	2.0
250.09926	2.0
251.07101	3.4
252.07799	5.2
253.04846	1.7
253.08592	36.8
254.05746	3.1
254.08977	3.1
255.06526	2.5
255.10161	2.6
256.07101	1.2
257.04620	1.9
261.09158	1.3
263.07108	1.7
263.10675	1.2
264.07825	1.5
265.08707	1.9
265.12119	1.4
266.05658	4.3
267.06549	2.7
267.10178	3.2
268.07376	6.9
270.08859	3.8
271.06006	1.3
276.07645	1.4
277.08588	2.2
278.09366	4.1
279.10089	3.4
280.07419	1.9
281.08072	63.5
282.05524	1.1
282.08432	5.3
283.06433	1.5
283.09705	7.0
284.06686	1.0
285.03973	2.8
285.07751	1.9
285.10925	4.3
291.10135	2.3
292.07281	1.0
292.10794	1.3
293.08139	2.5
293.11700	6.5
295.06186	1.3
295.09656	3.0
296.06769	3.1
297.07562	3.9
298.08115	5.0
299.09012	1.7
300.06357	4.8
301.06949	1.7
305.08081	1.2
306.08887	1.5
307.09631	2.0
308.10126	1.3
309.10968	2.2
310.12039	1.7
311.09140	32.1
312.09723	5.2
313.07159	2.5
313.10648	14.4
315.08643	10.9
316.05667	1.4
317.06525	2.6
319.09552	1.6
320.10440	1.9
321.07486	2.6
321.11285	4.4
323.09128	2.1
323.12830	3.2
325.14267	9.7
328.09442	4.4
331.07956	1.3
336.10022	3.6
337.10687	3.8
338.11380	1.4
339.12173	1.1
343.11758	100.0
344.12076	8.3
351.12247	12.5
352.12888	5.4
353.10101	1.6
353.13846	10.7
354.14380	1.9
355.15274	4.5
356.15805	1.1
368.12485	1.8
383.14886	39.9
384.15256	5.0
400.11429	1.4
421.10556	9.1
422.10159	3.1
425.16074	1.8
426.24310	0.9
439.12329	1.2
441.19348	1.2
447.14508	1.7
468.17728	1.3
521.15729	27.6
522.15863	2.9
543.14075	22.3
544.14221	3.3
545.38214	2.4
583.21643	4.8
584.21234	1.0
625.26416	1.1
643.23065	1.3
643.43683	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44849	0.4
53.03944	0.5
55.05508	4.9
58.24218	0.4
63.20894	0.4
67.05506	1.2
69.07066	0.8
71.08607	0.4
71.30166	0.6
79.05482	1.0
81.07056	1.4
83.04976	4.0
84.49332	0.4
91.05516	1.0
93.07047	1.1
93.34566	0.5
93.77642	0.4
95.04967	1.1
95.08599	0.8
97.06526	0.6
99.04474	0.4
105.03379	2.2
105.07028	1.2
107.08620	1.2
109.10177	0.4
117.07045	0.8
119.08632	0.6
121.10180	0.6
131.08549	0.6
133.10165	0.7
139.07642	0.4
145.10117	0.6
147.11707	0.6
149.09502	0.4
155.08568	0.4
159.11757	0.6
165.05527	1.2
165.07024	1.3
166.07750	0.7
178.07790	1.5
179.08585	2.0
180.05707	0.5
181.06470	1.8
181.10156	0.4
189.07034	0.6
191.08499	0.9
194.07242	2.3
195.08070	1.6
196.05200	0.5
196.08838	1.2
197.05968	1.0
198.06731	1.0
205.06546	2.3
205.08458	0.5
206.07256	1.9
207.08070	3.3
208.08669	0.6
209.05983	1.3
209.09630	1.5
210.06725	0.9
211.07509	2.3
211.11253	0.7
213.05510	0.6
213.09206	0.5
218.07169	0.5
219.08138	1.3
220.05260	1.2
221.06032	1.4
221.09636	1.1
222.06737	3.5
223.04083	0.7
223.07585	2.6
224.04803	0.7
224.08324	3.8
225.05553	1.8
225.08955	1.0
226.06158	1.4
227.07082	1.2
233.05968	1.5
234.06723	2.5
235.07520	5.4
236.04768	0.6
236.08301	2.5
237.05511	2.9
237.09073	4.6
238.06245	2.7
238.09891	1.0
239.03473	0.6
239.06946	2.8
239.10576	3.2
240.07802	1.7
241.04994	1.1
241.08577	2.1
242.05621	0.6
243.06569	0.6
247.07513	0.9
249.05513	1.7
249.09064	1.6
250.06235	5.7
251.07034	4.9
252.07820	6.7
253.04843	2.2
253.08530	2.9
254.05717	4.8
254.09358	1.1
255.06541	1.8
255.10034	0.8
256.07306	1.1
257.04349	1.2
261.05533	0.7
262.06317	1.0
263.06989	3.1
264.07803	2.8
265.04990	2.2
265.08618	12.1
266.05844	1.0
266.09351	3.2
267.06516	3.0
267.10168	11.0
268.07288	4.2
268.10474	1.2
269.04611	0.6
269.08096	2.2
269.11572	0.5
270.05341	0.5
271.06042	2.5
271.09204	0.5
275.07031	0.7
277.05081	0.7
277.08643	1.2
278.05847	1.0
278.09119	0.7
279.06522	3.8
279.09653	0.9
280.07278	4.5
281.08093	4.5
281.11426	0.7
282.05243	2.2
282.08841	2.7
283.05994	1.2
283.09604	2.0
284.06845	2.7
284.09760	0.6
285.04242	0.6
285.07629	2.0
285.10901	0.6
291.06552	2.1
291.09921	0.7
292.07233	2.0
293.08063	14.2
294.05267	1.1
294.08804	4.5
295.06064	4.9
295.09671	21.9
296.06769	2.3
296.10251	2.9
297.04352	0.8
297.07574	4.0
297.11163	3.2
298.05042	0.5
298.08255	1.8
298.11411	0.6
299.05603	1.1
299.09119	5.3
299.12503	0.6
300.06274	3.3
300.09460	0.6
301.07083	0.9
305.08090	0.7
306.08829	1.3
307.06171	0.8
307.09711	1.1
308.06821	1.6
308.10236	0.8
309.07544	4.3
309.11188	1.7
310.08286	4.4
311.05545	0.8
311.09039	4.6
312.06393	0.7
312.09851	2.2
313.07062	3.5
313.10678	1.1
314.07715	3.1
315.08597	9.1
316.09180	0.7
321.07532	0.7
322.04761	0.7
322.08273	0.8
323.05484	0.8
323.09039	4.6
324.09888	2.0
325.07150	1.4
325.10660	20.2
325.14612	1.0
326.11255	3.2
327.08615	10.5
327.12299	4.3
328.09296	4.2
328.12497	0.6
329.10132	7.5
329.14001	0.5
333.07330	0.6
335.05432	0.8
335.09113	2.0
336.09869	0.8
337.06799	1.6
337.10681	1.2
339.08578	1.0
339.12344	2.1
340.09354	1.9
340.12958	0.7
341.10144	3.8
341.13696	0.5
342.10962	14.6
343.11603	1.8
347.08823	2.8
349.10480	0.7
350.11499	1.5
351.08511	0.9
352.09546	0.9
355.08588	1.6
355.11755	41.8
356.12283	4.4
357.13290	34.6
358.13297	2.1
359.11188	1.4
363.08514	2.7
367.11685	3.3
368.12430	0.8
369.13287	1.6
370.10483	1.0
371.14975	1.1
372.09570	0.8
375.08615	0.7
377.09909	2.1
378.10565	1.0
381.13376	4.2
389.09805	0.8
390.10736	2.7
391.07672	1.2
391.11649	1.4
399.14346	10.1
400.14606	0.9
403.11417	1.3
406.10312	3.1
421.12552	100.0
422.12936	10.4
462.15463	0.7
506.15369	1.6
507.16351	0.5
521.17798	49.5
522.18115	5.7
543.16278	8.0
544.16559	0.9
643.21399	10.9
644.21643	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03831	0.5
55.05371	1.9
55.05673	1.3
55.68990	0.4
67.05346	1.2
67.05738	0.7
69.06942	0.6
69.07248	0.4
69.19608	3.1
79.05330	1.1
79.05796	0.7
81.06879	1.8
81.07393	0.9
83.04800	3.3
83.05333	0.9
89.05908	0.4
91.05283	1.6
93.06849	1.5
95.04820	0.7
95.08417	1.6
98.22615	0.9
105.03181	1.3
105.03853	0.7
105.06831	1.1
105.07458	0.4
107.08447	0.8
116.49590	0.3
117.06857	0.8
119.08386	1.0
119.97736	0.4
119.98650	0.4
121.09955	0.8
127.07072	0.4
131.08400	0.7
133.08420	0.5
133.09988	0.8
135.11537	0.8
143.08444	0.4
145.09979	0.6
147.11488	0.7
149.09464	0.4
157.09885	0.6
159.11464	0.4
171.11400	0.4
173.13045	0.4
218.78154	0.4
253.08484	0.5
255.89636	0.4
263.10138	0.4
266.05493	0.4
275.19809	0.5
280.10529	0.5
281.08087	2.0
308.10159	0.4
309.07379	0.8
355.15414	3.4
356.15585	1.1
387.17899	2.2
396.11826	1.2
397.12595	1.3
398.13589	0.9
409.12982	0.7
410.13577	2.7
411.14508	5.3
412.15256	3.3
413.15759	1.6
423.15048	1.9
424.10480	0.9
424.16092	3.3
425.16150	10.4
426.16776	7.9
427.17471	2.2
428.17987	0.8
437.16241	1.1
438.12170	2.9
439.13257	8.5
440.13690	1.6
440.18185	2.7
441.19296	28.0
442.19537	5.1
452.14264	4.1
453.15176	12.1
454.15576	4.3
463.13681	0.8
466.11935	0.6
467.17108	21.3
468.17709	14.9
469.18738	12.5
470.19489	2.2
472.17480	0.6
479.16635	0.6
480.16794	0.6
481.14844	15.3
482.15280	6.0
485.18286	1.0
487.19672	0.6
495.15884	3.5
496.17072	17.2
497.17572	4.6
498.18933	0.7
499.14972	0.7
508.18027	0.6
509.18372	1.6
510.18259	0.5
512.20490	0.9
513.20612	0.4
514.22235	1.0
523.19501	1.5
524.20154	0.9
527.22552	1.7
537.19470	0.6
540.20245	0.6
541.20984	0.5
542.21436	0.9
545.38000	0.9
555.22400	22.3
556.22736	4.1
568.19409	0.7
583.21838	100.0
584.22137	20.7
587.25848	0.8
611.20929	1.3
614.23224	0.8
615.24463	8.7
616.24628	1.5
643.23761	29.7
644.23822	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07534	0.3
63.42227	0.3
67.05434	0.5
73.23947	0.3
79.05429	0.3
81.06978	0.6
91.05393	0.4
95.08498	0.4
105.03310	0.7
105.06977	0.3
109.10061	0.3
121.99120	0.3
192.72931	0.3
396.12122	1.1
397.12848	2.1
398.13721	0.8
399.14630	0.5
409.12988	0.6
410.13794	3.1
411.09491	0.5
411.14502	6.0
412.15179	4.2
413.16098	2.1
423.09763	0.4
423.15125	1.5
424.10941	1.1
424.16165	2.8
425.16193	11.3
426.16879	9.8
427.17563	2.3
428.18527	0.8
436.15164	0.4
437.11734	0.7
437.16763	0.6
438.12216	3.5
439.13513	13.3
440.13947	1.8
440.19382	3.5
441.19327	28.8
442.19608	5.3
451.13068	0.6
451.18497	0.4
452.14386	4.2
453.15332	14.7
454.15750	5.4
455.16473	0.5
456.14185	0.3
457.14716	0.6
458.15399	0.4
463.13892	0.8
464.14789	0.5
465.15250	0.4
466.11938	0.4
466.16830	0.4
467.17148	24.9
468.17776	14.1
469.18762	11.8
470.19589	1.7
471.16830	1.0
472.17389	0.6
477.15536	0.4
479.17142	0.5
480.17853	0.6
481.14804	14.6
482.15317	4.6
483.16351	0.8
485.17932	0.8
487.19058	0.5
493.15192	0.4
494.16092	0.3
495.15744	3.4
496.17123	13.1
497.17749	3.0
498.18674	1.0
499.20657	0.5
500.20422	0.4
508.19965	0.3
509.18265	2.1
510.19150	0.5
512.20435	1.2
513.20966	0.6
514.22583	1.5
515.22467	0.5
522.17938	0.4
523.19495	1.2
524.20001	0.6
527.23328	2.4
528.23773	0.4
540.20007	0.5
542.22046	0.6
551.19299	0.4
555.22437	23.7
556.22491	3.9
568.19611	0.5
583.21875	100.0
584.22137	19.1
586.20709	0.4
587.25232	1.8
611.21393	2.2
612.21429	0.5
614.23462	0.5
615.24457	10.2
616.24890	1.9
643.23901	48.9
644.24054	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
67.05511	0.8
69.24792	0.7
69.25217	1.1
71.08614	0.3
72.87429	0.2
79.05511	0.6
80.03676	0.3
81.07052	0.7
91.05508	0.5
93.07042	0.6
95.08610	0.8
97.10170	0.3
99.94993	0.3
105.07059	0.6
107.08596	0.5
111.22455	0.3
119.08611	0.3
122.27774	0.2
126.22607	0.2
135.11772	0.3
157.10066	0.3
254.47527	0.3
277.21646	0.4
443.48386	0.3
625.44171	0.4
643.25226	100.0
644.25494	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.7
56.22416	0.4
67.05503	1.7
69.07077	0.5
69.26726	0.6
69.27124	2.9
79.05486	1.3
81.03322	0.4
81.07066	1.7
91.05479	0.9
93.07035	1.1
95.08622	1.2
101.97055	0.5
105.07040	1.2
107.08617	1.0
109.10159	0.6
119.08600	0.6
121.10106	0.6
125.09624	0.5
135.11723	0.7
145.02950	0.5
158.61682	0.5
219.74806	0.4
237.18494	0.5
263.69257	0.5
339.76740	0.5
355.15488	1.2
356.15894	1.4
366.48120	0.5
387.17868	0.6
390.19724	0.7
423.17981	0.7
432.57797	0.5
529.39331	0.7
545.38562	2.5
643.25238	100.0
644.25513	18.0
644.36212	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68108	3.0
55.05519	3.5
56.63770	2.6
57.07076	4.3
67.05508	13.4
69.07073	8.7
69.13140	26.4
71.08646	4.1
77.66917	3.0
79.05500	8.0
81.07051	14.8
81.87721	2.9
83.04950	4.6
83.08636	4.5
91.05508	9.0
93.07052	12.6
95.04967	3.2
95.08612	7.8
105.03391	6.7
105.07041	10.8
107.08605	6.6
109.10118	4.4
119.08614	7.2
121.10180	4.6
123.08013	3.5
131.08571	3.4
135.11768	3.8
139.11234	3.5
143.08548	3.0
145.10075	7.2
159.11674	3.3
164.10683	4.2
179.14388	3.1
197.10867	3.3
219.17508	8.3
220.49464	2.8
223.34662	2.6
227.07069	4.9
247.12425	3.2
249.13873	3.7
274.13477	3.0
277.21579	6.6
284.13187	3.0
302.12939	3.5
303.13687	2.7
318.16061	6.1
325.14667	3.7
332.17395	4.7
337.15500	4.8
346.43549	3.5
352.17511	3.8
367.19116	4.5
377.17374	3.6
381.20956	5.1
389.19543	17.9
390.19870	20.9
395.18549	7.2
397.17618	4.0
407.18585	6.1
408.19275	3.3
409.20197	10.5
410.20599	4.7
422.20917	4.2
423.21796	9.1
439.21628	3.5
440.21780	3.2
443.21851	6.6
452.22495	3.4
453.22708	3.5
481.22284	6.0
496.24435	9.7
497.25262	9.4
498.27026	3.6
503.23596	5.4
511.27335	14.5
512.27954	16.1
527.26367	5.2
539.26813	38.7
540.26831	6.3
545.38153	8.0
555.26044	4.6
557.27533	7.7
567.26123	39.6
581.27692	6.8
582.25946	4.5
583.25079	9.0
599.28680	100.0
600.28882	17.6
601.26703	16.2
602.27325	4.1
611.24567	5.9
625.25964	3.8
643.26233	20.9
644.25867	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.9
51.63208	0.7
53.03947	3.5
55.01880	10.2
55.05513	15.6
57.03436	20.6
57.07069	3.1
58.03792	0.9
59.05001	0.7
65.03943	4.5
67.05505	60.2
69.03429	2.7
69.07067	12.2
69.17232	0.7
71.04991	2.2
71.08643	1.3
73.06551	1.0
79.05494	46.1
80.05828	1.0
81.03409	3.9
81.07059	60.3
82.07404	1.3
83.04974	6.0
83.08624	7.3
85.06544	10.3
85.07009	1.0
91.05483	33.7
92.05811	1.4
93.07044	40.0
94.07362	1.2
95.04970	43.4
95.08607	28.2
96.05289	1.1
97.06534	8.5
97.10191	3.1
98.22734	4.0
98.23442	1.7
99.08109	2.4
103.05466	1.1
105.04553	1.5
105.07030	22.7
106.07330	1.0
107.04962	10.8
107.08596	24.6
108.08978	0.8
109.06519	61.8
109.10146	11.3
110.06854	1.3
111.04469	2.1
111.08086	3.9
113.06007	26.6
115.05446	1.5
116.06260	1.6
117.07021	15.9
119.04920	0.9
119.08587	18.7
120.08925	1.0
121.06506	6.0
121.10151	12.3
123.08054	4.9
123.11709	2.6
125.09653	2.4
128.06226	1.5
129.07021	8.2
130.07761	0.9
131.04932	0.9
131.08566	19.3
132.08887	1.3
133.06468	2.2
133.10135	11.4
135.08054	40.1
135.11691	11.4
136.08443	0.9
137.05969	1.0
137.09651	2.8
139.07501	0.9
141.07039	1.3
143.08569	8.4
145.06480	1.7
145.10123	13.4
146.10469	0.9
147.08041	8.4
147.11681	5.9
149.09612	4.8
149.13274	3.7
151.11255	1.5
155.08566	1.4
157.10104	6.9
159.08090	2.8
159.11702	8.0
161.09589	8.7
161.13287	3.7
163.11195	4.9
163.14825	1.3
165.09120	1.8
169.10167	3.0
171.11696	3.3
173.09627	1.4
173.13281	3.3
175.11162	2.2
175.14859	1.7
177.12772	3.6
179.14345	3.7
181.10124	1.0
183.11699	2.8
185.09688	1.5
185.13326	3.2
187.11182	1.6
187.14856	1.9
189.11205	1.8
189.12737	1.5
191.10597	0.9
195.11726	1.4
195.13815	2.2
199.11221	1.3
199.14839	3.4
201.12735	2.4
201.16484	1.4
209.11635	0.8
213.16508	0.8
217.15871	11.2
223.13219	1.6
227.17911	1.6
233.15300	1.4
237.16533	1.9
245.19087	3.1
249.14862	0.9
255.17421	3.1
256.64365	0.8
259.20493	1.0
261.22141	1.6
273.18488	36.6
274.18924	3.0
275.20056	4.8
277.21695	2.9
291.19537	100.0
292.19849	7.2
293.21002	1.3
309.20697	2.4
335.25800	41.9
336.26144	3.2
347.22308	5.8
348.22543	0.9
349.23831	2.0
351.25491	1.1
351.67627	0.9
365.23203	9.6
366.23456	1.1
371.14734	1.1
385.16406	6.8
505.96078	0.9
509.22217	0.9
529.38379	1.2
545.39001	1.7
550.38666	0.8
567.39380	1.0
607.43835	4.5
625.44629	23.5
626.45190	3.7
643.25049	1.8
643.41272	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84127	1.3
53.03939	4.0
55.05511	79.6
57.03432	2.8
57.07032	1.5
67.05502	8.1
69.07082	2.5
71.30141	2.2
74.68582	1.4
79.05504	7.5
81.03432	3.2
81.07054	9.6
83.04981	83.0
83.08648	2.6
91.05479	8.1
93.07058	4.9
94.19319	1.4
95.04941	2.2
95.08598	5.7
97.06548	1.7
105.07033	4.8
107.08603	4.6
108.45812	1.5
109.10154	2.9
111.08123	1.6
117.07082	2.2
119.08578	4.9
121.10143	2.9
129.07016	2.2
131.08553	4.8
133.10103	2.0
135.11763	2.1
143.04800	1.8
145.10095	2.4
147.11670	2.8
152.06212	2.6
153.07027	4.5
157.10191	1.8
159.11714	2.6
165.05803	1.7
165.07040	6.5
165.35019	1.5
166.07780	2.0
167.08554	3.2
179.08600	2.7
180.05693	1.8
181.06537	4.3
181.10034	1.6
193.06520	4.4
193.12427	1.8
194.07225	2.1
195.08063	5.6
205.06438	2.1
207.04439	6.4
208.05096	2.7
209.05995	6.9
210.06702	2.8
211.07523	2.7
221.05949	8.3
222.06779	5.8
223.07590	6.5
224.08405	2.0
225.05510	6.4
226.06253	4.8
227.07092	1.7
233.05905	3.2
235.03964	3.3
235.07515	2.4
236.04610	3.7
237.05460	20.9
238.06136	9.7
239.07011	17.1
240.07727	3.2
249.05498	7.6
250.06290	3.2
251.07034	12.8
252.04164	2.8
252.07860	4.5
253.04993	6.6
253.08568	8.7
254.05771	6.9
255.06468	2.5
257.04700	2.2
261.05624	1.7
263.07071	5.9
264.04395	1.8
264.07520	2.3
265.04984	28.0
266.05676	25.3
267.06525	37.5
268.07071	2.8
269.07913	2.4
277.04984	5.8
278.05688	2.9
279.06555	20.0
280.07272	15.8
281.04459	10.7
281.08093	16.6
282.05151	8.5
282.08197	2.0
283.05838	7.2
285.03973	3.5
290.05698	2.7
291.06522	6.8
292.03876	1.9
292.06998	2.4
293.04459	16.6
294.05240	4.5
295.06027	11.1
296.06796	6.5
297.07568	28.6
298.08218	5.4
306.05197	2.6
307.06024	16.4
308.06750	6.5
309.07559	63.8
310.04663	2.9
310.08044	4.4
311.05557	2.7
311.09155	9.1
312.09927	4.2
319.05914	2.1
321.03934	3.1
321.07486	2.5
322.08380	1.7
323.05484	4.1
323.08902	3.4
324.06393	5.4
325.07062	84.4
326.07642	14.1
334.04776	2.6
335.05499	17.2
336.06293	3.8
337.07086	2.6
338.07782	2.4
339.08600	9.7
340.09381	22.4
341.10324	1.9
349.07034	4.5
351.08560	10.5
353.06607	13.1
357.09576	2.4
363.04843	2.2
367.08127	26.7
368.08844	35.1
369.09372	3.7
377.06622	5.7
384.08356	16.8
385.09122	32.1
386.09470	2.4
395.07629	5.0
397.08936	2.1
399.10727	8.1
409.09195	4.9
427.10223	100.0
428.10593	6.6
467.13275	3.1
626.25867	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.05490	2.3
64.60246	2.5
65.58865	1.8
67.88349	2.5
69.05426	12.6
72.00137	1.8
72.28793	1.8
81.07069	4.7
91.05495	4.9
93.07032	3.8
95.04974	3.1
105.03395	44.2
105.04494	2.5
107.08611	2.2
109.23801	2.0
119.08553	3.0
121.10262	2.0
135.11690	2.6
174.13391	2.0
177.80989	2.1
182.07251	5.7
197.09679	6.7
202.78329	1.9
210.06747	10.2
225.09068	23.8
227.07054	2.5
231.98366	2.0
236.42532	1.8
238.06261	6.8
240.07761	2.6
250.10112	2.2
252.07896	4.4
253.08586	23.6
254.05446	2.6
254.09154	2.4
263.77249	2.2
265.08493	2.1
266.05771	3.5
268.07285	4.5
278.09225	3.1
280.07233	2.8
281.08072	46.5
282.08575	3.4
283.09567	3.5
285.11316	4.0
297.07544	2.4
298.08173	2.6
311.09137	25.3
312.09677	3.4
313.10767	9.8
315.08676	3.3
328.09778	2.8
343.07590	4.8
343.11758	100.0
344.12234	7.8
351.12299	7.9
356.57175	2.6
379.71173	2.2
383.14896	18.3
384.15399	2.7
396.56708	2.2
447.14194	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55847	0.9
50.67595	1.0
55.05514	7.7
57.91988	1.0
60.43217	0.9
67.05498	1.9
71.26946	0.8
71.30624	1.8
79.05486	2.8
81.03413	1.7
81.07048	3.4
83.04993	7.3
85.87402	1.0
91.05479	2.3
93.07035	2.3
95.04898	1.2
99.04451	1.5
105.07031	2.2
107.08583	1.7
109.10165	1.3
121.10120	1.6
134.72154	0.9
166.07738	1.3
179.08569	3.4
180.34882	1.1
185.09558	1.0
191.08719	1.2
194.07361	2.1
195.08018	2.0
197.05936	1.7
205.06467	2.7
206.07123	1.4
207.08028	3.2
209.05943	1.4
209.09579	3.1
210.06709	1.8
211.07570	1.9
215.48912	1.0
219.08121	1.8
221.06012	2.3
221.09764	1.3
222.06718	5.2
223.07433	2.4
224.08311	3.5
225.05447	1.7
225.09088	1.8
226.06003	1.3
233.05989	3.1
234.06664	2.3
235.07553	5.0
236.08159	3.2
237.05464	2.1
237.09106	7.6
238.06200	3.2
239.06906	2.8
239.10658	3.2
240.07684	1.5
241.04849	1.2
241.08594	2.7
249.05550	2.4
249.09059	1.6
250.06242	7.9
250.08803	1.0
250.09700	0.9
251.06944	6.2
252.07773	8.4
253.04932	2.3
253.08470	6.1
254.05678	4.0
254.08965	1.0
255.06398	1.8
255.09824	1.3
257.04388	1.6
261.05554	1.1
263.06973	4.8
264.07727	3.1
265.05145	2.1
265.08548	16.5
266.06027	1.3
266.09024	5.5
267.06430	4.1
267.10156	11.9
267.15930	1.8
268.07233	4.1
268.10147	1.2
269.08057	2.7
271.05997	3.0
277.08386	1.1
278.05872	1.8
279.06424	3.8
279.09564	1.3
279.60477	1.0
280.07309	7.8
281.08109	4.9
282.05310	2.0
282.08810	4.0
283.09592	2.8
284.06689	2.1
284.09967	1.2
285.07538	2.4
291.06476	3.6
292.07269	3.5
293.08041	23.7
294.05420	2.1
294.08658	7.4
295.06079	3.7
295.09589	24.7
296.06711	3.1
296.10071	5.8
297.07471	5.3
297.11176	4.0
298.08002	1.9
299.05511	1.6
299.08966	3.7
299.12665	1.3
300.06171	2.9
305.08121	1.4
306.08945	1.5
307.06061	1.5
308.06708	3.3
308.10117	1.8
309.07388	3.8
309.10956	2.0
310.08267	5.5
311.09058	5.6
312.09689	2.3
313.06998	3.3
314.07690	3.3
314.11020	1.2
315.08661	12.1
316.09076	1.3
321.07169	1.2
322.08344	1.0
323.09161	7.9
324.09641	5.5
325.07172	2.6
325.10687	31.2
326.07755	1.7
326.11249	6.8
327.08569	10.0
327.12238	6.1
328.09085	7.1
329.10165	11.8
330.10370	2.2
335.08899	1.3
337.06931	1.2
337.10474	2.2
339.08694	1.4
339.12402	1.8
340.09317	3.3
341.10168	5.8
342.10959	22.6
343.11505	6.2
355.11752	100.0
356.08224	0.7
356.12143	19.1
357.13309	61.5
358.13623	10.2
359.11130	1.9
367.11694	5.5
368.12393	1.9
369.13287	3.1
381.13278	6.3
397.12848	1.5
399.14374	22.7
400.14722	3.7
411.12390	1.2
421.12561	7.7
422.12894	15.7
522.18268	5.8
544.16718	4.8
559.36365	1.9
567.22473	1.3
644.21240	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55847	0.9
50.67595	1.0
55.05514	7.7
57.91988	1.0
60.43217	0.9
67.05498	1.9
71.26946	0.8
71.30624	1.8
79.05486	2.8
81.03413	1.7
81.07048	3.4
83.04993	7.3
85.87402	1.0
91.05479	2.3
93.07035	2.3
95.04898	1.2
99.04451	1.5
105.07031	2.2
107.08583	1.7
109.10165	1.3
121.10120	1.6
134.72154	0.9
166.07738	1.3
179.08569	3.4
180.34882	1.1
185.09558	1.0
191.08719	1.2
194.07361	2.1
195.08018	2.0
197.05936	1.7
205.06467	2.7
206.07123	1.4
207.08028	3.2
209.05943	1.4
209.09579	3.1
210.06709	1.8
211.07570	1.9
215.48912	1.0
219.08121	1.8
221.06012	2.3
221.09764	1.3
222.06718	5.2
223.07433	2.4
224.08311	3.5
225.05447	1.7
225.09088	1.8
226.06003	1.3
233.05989	3.1
234.06664	2.3
235.07553	5.0
236.08159	3.2
237.05464	2.1
237.09106	7.6
238.06200	3.2
239.06906	2.8
239.10658	3.2
240.07684	1.5
241.04849	1.2
241.08594	2.7
249.05550	2.4
249.09059	1.6
250.06242	7.9
250.08803	1.0
250.09700	0.9
251.06944	6.2
252.07773	8.4
253.04932	2.3
253.08470	6.1
254.05678	4.0
254.08965	1.0
255.06398	1.8
255.09824	1.3
257.04388	1.6
261.05554	1.1
263.06973	4.8
264.07727	3.1
265.05145	2.1
265.08548	16.5
266.06027	1.3
266.09024	5.5
267.06430	4.1
267.10156	11.9
267.15930	1.8
268.07233	4.1
268.10147	1.2
269.08057	2.7
271.05997	3.0
277.08386	1.1
278.05872	1.8
279.06424	3.8
279.09564	1.3
279.60477	1.0
280.07309	7.8
281.08109	4.9
282.05310	2.0
282.08810	4.0
283.09592	2.8
284.06689	2.1
284.09967	1.2
285.07538	2.4
291.06476	3.6
292.07269	3.5
293.08041	23.7
294.05420	2.1
294.08658	7.4
295.06079	3.7
295.09589	24.7
296.06711	3.1
296.10071	5.8
297.07471	5.3
297.11176	4.0
298.08002	1.9
299.05511	1.6
299.08966	3.7
299.12665	1.3
300.06171	2.9
305.08121	1.4
306.08945	1.5
307.06061	1.5
308.06708	3.3
308.10117	1.8
309.07388	3.8
309.10956	2.0
310.08267	5.5
311.09058	5.6
312.09689	2.3
313.06998	3.3
314.07690	3.3
314.11020	1.2
315.08661	12.1
316.09076	1.3
321.07169	1.2
322.08344	1.0
323.09161	7.9
324.09641	5.5
325.07172	2.6
325.10687	31.2
326.07755	1.7
326.11249	6.8
327.08569	10.0
327.12238	6.1
328.09085	7.1
329.10165	11.8
330.10370	2.2
335.08899	1.3
337.06931	1.2
337.10474	2.2
339.08694	1.4
339.12402	1.8
340.09317	3.3
341.10168	5.8
342.10959	22.6
343.11505	6.2
355.11752	100.0
356.08224	0.7
356.12143	19.1
357.13309	61.5
358.13623	10.2
359.11130	1.9
367.11694	5.5
368.12393	1.9
369.13287	3.1
381.13278	6.3
397.12848	1.5
399.14374	22.7
400.14722	3.7
411.12390	1.2
421.12561	7.7
422.12894	15.7
522.18268	5.8
544.16718	4.8
559.36365	1.9
567.22473	1.3
644.21240	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01871	0.9
55.05506	5.9
57.03430	5.1
57.69486	0.7
59.04980	0.7
61.02925	9.5
67.05507	7.9
69.03427	3.3
69.07057	3.2
70.85491	1.1
70.85813	1.0
71.04978	1.7
73.02909	3.4
73.33818	0.7
73.54176	0.7
79.05490	9.2
81.03418	35.4
81.07049	11.2
83.04980	6.7
83.08621	13.9
85.02428	1.2
85.02905	17.2
87.78610	0.6
91.03954	8.0
91.05485	10.8
93.07043	5.6
95.04965	11.9
95.08617	3.3
97.02902	5.8
97.06531	1.6
97.10155	1.6
99.04438	0.7
99.08088	0.9
105.07030	7.5
107.04955	3.8
107.08611	3.3
109.06514	2.0
111.04455	1.3
111.08080	6.3
113.05968	1.0
119.04897	0.7
119.08585	8.0
121.06532	1.2
121.10139	4.4
123.11723	0.9
127.03910	2.1
129.07011	4.1
131.08536	5.4
133.06520	1.2
133.10133	6.0
137.09703	0.8
142.07782	1.1
145.04933	3.7
147.11671	8.8
149.09631	3.0
151.11203	0.8
157.10130	7.8
158.10449	1.1
163.06049	5.4
165.12733	2.3
175.11195	10.1
193.12239	37.8
194.12610	2.6
211.13287	34.1
212.13599	1.3
229.14301	1.0
267.15921	16.4
268.16187	1.5
285.16956	100.0
286.17310	6.0
303.17987	1.0
429.21231	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01855	0.8
55.05507	4.9
57.03184	0.7
57.03440	5.3
58.08888	0.5
61.02927	6.3
67.05502	6.9
68.51387	0.5
69.03425	2.5
69.07079	2.6
70.06580	0.6
71.04982	1.6
72.83178	0.5
73.02907	2.2
79.05491	7.1
81.03418	24.3
81.07058	8.7
83.04987	5.3
83.08615	8.1
85.02905	16.6
85.06541	0.9
91.03950	5.1
91.05487	10.5
93.07043	4.3
95.04965	9.9
95.08602	3.4
97.02884	4.2
97.06514	1.6
97.10162	1.4
99.04438	1.4
99.08073	0.6
105.07027	7.3
106.07310	0.7
107.04942	2.2
107.08583	1.9
109.06519	1.4
109.10124	1.1
111.04431	0.9
111.08065	4.1
113.05980	0.7
115.03933	0.7
117.06997	0.5
119.08576	6.3
121.06507	0.6
121.10146	3.4
123.04398	0.6
123.08067	0.8
123.11712	1.1
127.03898	2.1
129.07007	4.5
131.08580	3.5
131.81406	0.5
133.06500	0.9
133.10129	3.9
137.09612	0.8
145.04944	2.4
145.10069	0.7
147.08051	1.3
147.11682	6.1
149.09604	2.3
157.10121	5.8
161.09604	0.7
163.06039	3.8
165.12764	1.3
165.59035	0.5
175.11191	6.8
177.05505	0.7
193.12241	22.8
194.12511	1.4
211.11230	0.9
211.13283	17.5
212.13673	0.9
229.14206	0.7
234.11829	0.5
267.15939	7.5
277.94049	0.5
285.16959	100.0
286.17334	7.3
303.04889	0.7
379.44089	0.6
402.27692	0.5
429.21091	1.0
447.22153	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31451	1.4
53.03963	1.4
55.05497	2.7
61.02942	3.8
67.05502	5.4
67.88985	1.4
69.03430	9.5
69.07072	4.2
71.31532	1.8
73.02914	13.3
79.05492	5.5
79.17211	1.5
81.07068	7.3
82.23534	1.5
83.04986	11.9
83.08592	1.8
85.02937	3.0
85.06564	2.6
87.04457	2.1
91.05484	10.1
93.07048	10.8
95.04975	3.3
95.08620	6.7
97.02891	17.1
97.06527	5.1
99.04463	1.8
105.07024	11.2
107.05002	2.3
107.08573	9.7
109.06505	18.0
109.10159	5.6
111.08094	3.6
115.03916	8.1
117.06999	4.5
119.04873	2.4
119.08570	16.5
120.45706	1.5
121.06527	4.7
121.10130	8.3
123.08096	5.8
123.11699	2.1
125.06007	7.6
128.06219	3.6
129.07037	5.5
130.07814	1.6
131.08562	7.3
133.04973	11.8
133.06517	3.0
133.10135	7.9
135.08069	3.8
135.11717	2.5
137.05977	5.8
137.09637	5.4
139.07533	2.2
141.06992	5.3
142.07773	4.6
143.07103	3.1
143.08572	17.0
145.10095	10.2
147.08067	6.3
147.11659	5.6
149.09666	3.7
151.03954	1.9
151.07466	2.4
153.05568	3.1
153.06926	2.8
154.07797	2.3
155.07346	1.8
155.08516	9.2
156.09282	2.7
157.10106	11.7
159.08076	5.5
159.11646	9.8
161.06070	1.9
161.09601	7.5
163.11183	4.5
165.07014	2.9
165.09117	3.2
167.07135	3.6
167.08569	9.6
168.09332	3.4
169.08676	4.1
169.10138	15.7
171.08054	2.7
171.11691	22.6
173.09641	5.0
173.13312	3.5
175.11214	7.2
177.09122	2.2
179.08577	4.1
180.09322	2.6
181.10159	10.9
182.10857	2.1
183.08136	2.6
183.11708	10.6
185.09622	10.1
185.13246	11.7
187.11195	15.7
187.26434	1.9
189.09061	2.2
191.10614	2.1
192.09238	3.0
193.10121	10.0
194.10847	4.1
195.08025	3.2
195.11673	13.9
196.12439	1.8
197.09677	4.9
197.13246	9.6
199.11131	4.4
199.14793	3.0
201.09135	1.7
201.12737	4.3
203.08524	2.0
203.10670	3.3
205.10146	5.7
207.11688	10.9
208.12364	3.4
209.09636	4.6
209.13249	14.1
210.13686	1.7
211.11253	4.4
211.14896	4.7
213.12769	7.0
218.10989	2.3
219.11652	7.3
220.12523	5.0
221.09735	2.4
221.13266	12.5
222.13971	2.9
223.11229	3.7
223.14755	10.6
224.11746	1.7
224.15263	1.6
225.12811	3.9
225.16451	2.0
227.14250	2.2
230.10924	1.8
231.11720	6.4
232.12425	3.9
233.13248	10.2
234.13924	2.2
235.11215	3.0
235.14828	14.2
236.15443	4.3
237.12769	7.4
237.16347	14.0
239.14380	4.1
239.17995	3.4
241.15892	2.3
245.13249	7.6
246.13997	4.7
247.14838	7.0
248.15465	2.6
249.12715	3.0
249.16391	4.7
251.14253	4.3
251.18030	4.7
253.15921	4.5
255.21159	1.8
260.15652	3.8
261.16321	2.6
263.14374	11.3
263.17911	4.8
264.15164	1.9
265.16006	12.6
265.19437	19.0
266.16440	2.0
266.19867	1.6
267.13959	2.7
267.17374	2.0
267.20850	2.1
269.19095	1.9
273.12503	1.9
273.16339	4.3
275.14740	3.4
275.17792	15.5
276.18317	1.9
279.13803	2.4
279.17514	1.9
281.15402	3.0
281.19009	2.7
283.20590	3.5
289.19461	2.4
291.17520	4.0
293.18994	66.9
294.19354	5.8
295.17093	4.0
305.15561	2.4
305.18912	3.8
307.17017	3.3
307.20667	4.1
309.18863	2.2
309.21902	9.6
311.20038	100.0
312.20419	8.8
317.19003	4.9
319.20770	1.9
323.16577	2.4
325.17957	18.2
329.21149	13.2
333.18427	3.4
335.20020	18.5
336.20270	3.4
347.19907	2.2
353.21085	78.9
354.21545	9.2
371.22153	56.0
372.22498	6.6
389.23334	13.2
393.20877	2.2
407.22064	7.1
425.23141	5.3
435.21643	5.3
443.24371	3.6
453.22705	69.1
454.23160	8.9
467.24265	2.6
469.25983	5.1
471.23746	58.6
472.23920	6.3
482.11417	4.7
485.25247	3.7
487.27283	1.9
489.24600	13.6
495.23895	12.0
507.25842	3.4
513.24780	41.1
514.24707	3.7
529.27673	2.1
531.25861	42.4
532.26007	4.2
547.28979	2.2
549.26886	17.7
550.27374	2.6
558.00952	1.7
567.27838	3.3
573.26929	3.3
591.19373	2.1
591.27832	16.5
592.28040	2.3
644.22003	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.05525	1.0
57.07070	3.2
67.05509	2.8
69.02921	3.6
69.03334	1.6
69.07069	1.3
71.08630	3.2
73.06557	0.8
79.05492	2.0
81.03407	0.5
81.07061	3.5
83.04990	0.6
83.08606	1.1
85.10169	1.9
87.04473	1.0
89.06032	14.6
91.05470	2.0
93.07050	2.5
94.98811	0.4
95.04966	1.1
95.08597	1.7
97.10182	1.0
98.22691	0.9
98.23331	1.3
105.07032	1.5
107.08575	1.5
109.06525	1.2
109.10153	1.1
112.71078	0.5
117.07044	0.9
117.09128	0.7
119.08559	1.8
121.10132	1.2
131.06995	0.7
131.08562	0.6
133.08609	7.3
133.10161	1.5
135.11748	0.7
145.10132	0.8
153.07047	0.6
155.08591	0.4
159.08067	0.5
159.11722	0.5
161.13184	0.7
167.07060	0.8
169.19560	0.6
177.11270	2.3
183.08063	0.8
192.09396	0.7
195.08125	0.6
195.11673	0.6
197.06047	0.7
201.09111	1.6
202.09869	2.2
207.11739	0.5
209.09567	1.1
210.06715	0.8
211.07603	1.2
219.08113	0.9
220.08778	1.4
221.09511	1.0
225.05563	0.6
225.09077	1.6
227.07130	0.8
231.08080	0.7
233.09586	0.9
235.07544	0.7
235.11177	2.5
237.09061	2.9
238.06250	0.7
238.09866	0.6
239.07059	1.2
239.10637	0.7
240.07816	1.2
241.05038	1.1
247.07574	1.0
248.08296	2.8
249.09148	4.1
250.09756	1.1
251.07301	0.5
251.10663	2.8
252.11455	1.6
253.08542	1.7
254.09384	1.4
254.12030	0.5
256.07281	1.6
257.08057	1.4
261.09018	1.6
263.06982	0.9
263.10678	6.8
264.11374	2.4
265.08609	7.9
265.12024	1.5
266.05612	0.7
266.09229	2.1
266.12939	0.5
267.06598	0.9
267.10229	1.0
267.13831	2.1
269.11676	0.7
270.08865	1.2
271.09589	1.6
276.07834	0.9
277.08600	7.9
278.09259	2.3
279.07162	0.6
279.10156	3.1
280.07782	0.5
280.10941	10.2
281.08420	0.9
281.11661	3.9
282.08826	1.3
283.09695	0.6
284.06802	1.5
285.07663	1.9
285.11050	0.9
287.09174	0.8
291.10220	3.0
292.10815	1.8
293.08072	3.0
293.11685	3.3
294.08810	1.7
294.12497	1.4
295.09924	1.1
295.13269	13.3
296.13812	2.2
297.11203	3.4
299.09229	3.6
300.09793	1.4
307.09714	1.1
308.10370	2.9
309.11212	10.3
309.14529	0.3
310.11591	1.3
312.13632	1.2
313.10815	0.9
314.11426	1.3
317.10229	1.4
318.10947	1.6
322.11942	0.9
323.12756	10.7
324.13535	9.5
325.10706	3.7
325.14236	2.8
326.11234	0.8
327.15884	1.5
331.11768	1.9
340.13052	4.6
341.13763	3.8
345.13263	1.6
355.15396	100.0
356.15979	20.4
357.16498	1.5
372.15738	1.7
387.18015	38.1
388.18341	3.2
627.45563	0.7
644.26276	0.9
644.42529	0.5
656.02783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.05525	1.0
57.07070	3.2
67.05509	2.8
69.02921	3.6
69.03334	1.6
69.07069	1.3
71.08630	3.2
73.06557	0.8
79.05492	2.0
81.03407	0.5
81.07061	3.5
83.04990	0.6
83.08606	1.1
85.10169	1.9
87.04473	1.0
89.06032	14.6
91.05470	2.0
93.07050	2.5
94.98811	0.4
95.04966	1.1
95.08597	1.7
97.10182	1.0
98.22691	0.9
98.23331	1.3
105.07032	1.5
107.08575	1.5
109.06525	1.2
109.10153	1.1
112.71078	0.5
117.07044	0.9
117.09128	0.7
119.08559	1.8
121.10132	1.2
131.06995	0.7
131.08562	0.6
133.08609	7.3
133.10161	1.5
135.11748	0.7
145.10132	0.8
153.07047	0.6
155.08591	0.4
159.08067	0.5
159.11722	0.5
161.13184	0.7
167.07060	0.8
169.19560	0.6
177.11270	2.3
183.08063	0.8
192.09396	0.7
195.08125	0.6
195.11673	0.6
197.06047	0.7
201.09111	1.6
202.09869	2.2
207.11739	0.5
209.09567	1.1
210.06715	0.8
211.07603	1.2
219.08113	0.9
220.08778	1.4
221.09511	1.0
225.05563	0.6
225.09077	1.6
227.07130	0.8
231.08080	0.7
233.09586	0.9
235.07544	0.7
235.11177	2.5
237.09061	2.9
238.06250	0.7
238.09866	0.6
239.07059	1.2
239.10637	0.7
240.07816	1.2
241.05038	1.1
247.07574	1.0
248.08296	2.8
249.09148	4.1
250.09756	1.1
251.07301	0.5
251.10663	2.8
252.11455	1.6
253.08542	1.7
254.09384	1.4
254.12030	0.5
256.07281	1.6
257.08057	1.4
261.09018	1.6
263.06982	0.9
263.10678	6.8
264.11374	2.4
265.08609	7.9
265.12024	1.5
266.05612	0.7
266.09229	2.1
266.12939	0.5
267.06598	0.9
267.10229	1.0
267.13831	2.1
269.11676	0.7
270.08865	1.2
271.09589	1.6
276.07834	0.9
277.08600	7.9
278.09259	2.3
279.07162	0.6
279.10156	3.1
280.07782	0.5
280.10941	10.2
281.08420	0.9
281.11661	3.9
282.08826	1.3
283.09695	0.6
284.06802	1.5
285.07663	1.9
285.11050	0.9
287.09174	0.8
291.10220	3.0
292.10815	1.8
293.08072	3.0
293.11685	3.3
294.08810	1.7
294.12497	1.4
295.09924	1.1
295.13269	13.3
296.13812	2.2
297.11203	3.4
299.09229	3.6
300.09793	1.4
307.09714	1.1
308.10370	2.9
309.11212	10.3
309.14529	0.3
310.11591	1.3
312.13632	1.2
313.10815	0.9
314.11426	1.3
317.10229	1.4
318.10947	1.6
322.11942	0.9
323.12756	10.7
324.13535	9.5
325.10706	3.7
325.14236	2.8
326.11234	0.8
327.15884	1.5
331.11768	1.9
340.13052	4.6
341.13763	3.8
345.13263	1.6
355.15396	100.0
356.15979	20.4
357.16498	1.5
372.15738	1.7
387.18015	38.1
388.18341	3.2
627.45563	0.7
644.26276	0.9
644.42529	0.5
656.02783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.2
57.07068	1.4
67.05494	1.5
71.08639	1.1
74.04261	0.4
76.57796	0.4
79.05488	1.5
81.03426	0.7
81.07051	1.8
83.04961	0.5
85.10205	0.8
87.04461	0.8
89.06039	9.7
93.02806	0.5
93.07020	0.8
95.08611	1.3
102.51698	0.5
103.80688	0.5
105.07037	0.9
109.10155	0.4
109.24560	0.5
119.08582	0.6
131.08569	0.6
133.08603	4.9
133.10107	0.8
165.07021	0.7
167.06999	0.9
173.09641	0.6
177.11217	1.9
179.08575	0.5
192.09290	0.7
195.08209	0.4
201.09132	1.2
202.08116	0.5
202.09804	2.4
210.06801	1.4
211.07536	1.4
215.07246	0.6
219.08069	0.6
220.08818	1.4
221.09694	0.9
223.07416	0.8
225.09053	1.1
225.82678	0.5
227.06831	0.7
228.07736	0.6
229.29115	0.7
233.09505	0.9
235.07561	0.8
235.11143	2.3
236.11772	0.6
237.09036	2.6
238.06256	0.7
238.09811	0.6
239.07036	1.4
239.10672	0.6
240.07881	0.9
241.05064	0.6
243.06606	0.6
245.09644	0.5
247.07495	1.3
248.08272	3.1
249.09120	3.9
250.09653	0.6
251.06999	1.2
251.10661	1.8
252.11420	2.7
253.08650	1.8
254.09225	1.3
255.06606	0.8
255.10074	0.8
256.07248	2.4
257.08191	0.6
261.09201	1.1
262.09595	0.9
263.07349	1.1
263.10678	7.6
264.08527	0.6
264.11380	3.2
265.08612	7.7
265.11887	1.0
266.09326	1.0
267.06616	0.9
267.10071	0.9
267.13776	1.9
269.11774	1.0
271.09683	1.5
277.08630	8.5
278.09305	1.8
279.10068	3.1
280.10977	8.7
281.08539	0.6
281.11511	3.1
282.08936	2.2
284.06711	1.3
285.11035	0.8
291.10278	2.8
292.10944	1.8
293.08096	3.3
293.11710	2.6
294.08801	1.7
294.12152	1.0
295.09918	1.2
295.13263	10.4
296.13858	1.9
297.08215	0.6
297.11313	2.5
299.09091	3.0
300.09747	0.7
307.09662	1.2
308.10461	2.6
309.11185	7.9
310.11746	1.1
312.13513	0.8
313.10638	1.8
317.10263	0.6
318.10931	0.6
323.12756	8.9
324.13593	8.7
325.10715	3.1
325.14258	1.9
327.15985	1.3
331.11911	1.3
340.13123	4.5
341.13791	0.8
345.13409	1.3
355.15411	100.0
356.15933	15.7
357.16837	1.0
372.15530	0.6
387.18018	32.8
388.18256	2.5
459.27628	0.7
496.16476	0.6
529.39307	2.7
530.39099	0.7
634.49591	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08486	0.9
55.05490	1.0
57.07082	1.0
66.66859	0.8
67.05505	2.5
69.07054	1.7
69.14713	4.7
69.15134	2.6
79.05481	1.5
81.07061	3.1
83.04991	1.9
89.06039	1.1
91.05470	1.2
93.07047	2.4
95.08605	1.3
105.03394	2.1
105.07028	1.4
107.08610	1.9
109.10102	1.2
119.08556	1.6
129.06996	1.0
131.08534	1.2
133.08563	1.2
133.10089	1.3
145.10120	0.8
153.96442	1.0
173.09708	1.2
193.06494	1.1
195.08162	0.8
195.34579	0.8
198.49513	0.9
201.09084	2.5
202.09798	1.9
207.08070	0.9
209.09622	0.9
210.06808	1.4
211.07491	2.7
217.84181	0.8
219.07921	0.9
220.08855	2.2
233.09651	1.0
235.11147	3.2
236.11870	1.1
237.09061	3.0
239.06995	1.9
240.07834	2.2
241.05032	1.7
241.08537	1.1
243.06508	1.6
248.08289	3.7
249.09128	4.7
251.10712	2.4
252.11412	2.8
253.08644	1.6
254.09276	2.4
256.07281	3.2
261.09302	1.2
262.09961	1.3
263.10684	8.4
264.11365	4.0
265.08621	8.7
265.11572	1.3
266.09225	1.7
267.13806	1.6
271.09622	2.2
277.08658	9.3
278.09161	2.1
279.10110	2.7
280.08072	1.3
280.10855	7.2
281.08270	1.2
281.11578	3.3
282.08643	2.4
284.06699	1.9
285.07541	1.3
285.11166	1.5
291.10126	3.0
292.10968	3.0
293.08148	2.9
293.11737	2.8
294.08792	2.3
294.12198	1.0
295.09796	1.5
295.13162	12.7
296.13818	2.7
297.11200	4.0
298.08618	0.9
299.09131	5.0
303.08823	0.9
307.09717	1.3
308.10379	2.3
309.11224	9.0
312.13492	1.1
313.10675	1.9
314.11194	1.6
317.10147	1.8
318.10941	2.0
323.12814	12.3
324.13519	8.6
325.10614	3.2
325.13992	2.0
327.15851	2.2
331.11691	3.4
340.12903	4.4
341.13519	2.1
345.13269	3.0
355.15384	100.0
356.15884	16.1
372.15448	1.8
387.17993	80.8
388.18448	6.2
419.60205	1.0
569.64825	1.1
584.21924	3.3
644.24609	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71980	0.8
54.20494	0.8
55.01857	1.2
55.05492	2.7
57.07083	1.2
67.05490	3.6
69.07063	1.4
79.05493	1.8
81.03413	1.9
81.07050	4.0
83.04977	1.2
89.05969	0.9
91.05465	2.0
93.07031	3.0
93.18642	0.8
95.08611	2.3
98.22990	6.4
100.22724	0.7
105.03381	1.5
105.07030	2.1
107.08591	1.7
109.10139	2.3
119.08566	1.5
121.10149	1.2
133.10135	1.3
133.32811	0.8
135.08018	1.1
145.10121	1.0
147.11673	1.1
165.06995	1.3
167.06967	1.0
173.09599	1.1
193.12288	1.0
195.08028	1.2
201.09145	1.3
202.09877	2.1
209.09550	1.4
210.06784	1.9
211.07588	2.7
221.09601	1.3
225.09073	2.6
226.09686	1.0
227.07007	1.1
228.94377	0.9
235.07468	1.4
235.11163	2.4
237.09088	3.1
238.06212	1.3
239.06790	1.5
240.07785	1.3
248.08215	2.9
249.09027	2.9
251.07047	1.4
251.10484	0.9
252.11481	2.9
253.08612	2.6
253.12151	1.1
254.09241	2.1
255.06488	1.0
256.07373	2.4
257.08032	1.2
261.09085	1.0
262.10062	1.9
263.07123	1.0
263.10657	9.4
264.07770	1.1
264.11365	3.2
265.08560	9.0
265.11508	1.3
266.05826	0.9
266.09161	2.5
267.10147	1.5
267.13824	2.2
270.08823	1.1
271.09518	2.5
277.08530	9.2
278.09155	2.6
279.10095	4.5
280.10858	8.9
281.08044	4.3
281.11618	5.4
282.08618	3.8
283.09543	1.7
284.06976	1.4
285.07788	1.0
285.11118	1.5
291.10156	2.7
292.10736	2.1
293.08057	4.2
293.11639	2.9
294.08569	2.1
294.12271	1.2
295.09741	1.4
295.13232	12.5
296.13687	2.5
297.11145	3.2
299.09125	4.1
301.06622	0.9
307.09705	1.6
308.10373	3.3
309.11230	9.8
310.11679	1.5
311.09088	1.8
312.09842	1.6
312.13214	1.3
313.10599	2.9
317.09906	1.3
318.10956	2.5
322.11835	1.8
323.12759	12.8
324.13501	10.9
325.10641	4.1
325.14249	3.3
327.15994	1.0
331.11655	2.3
335.25137	0.9
336.26303	1.0
340.13080	3.8
341.13705	1.9
343.11905	4.6
344.12021	2.8
345.13211	1.6
355.15387	100.0
356.15887	18.7
357.16193	2.4
372.15735	1.9
383.14957	1.7
384.15228	1.6
384.34509	0.9
387.17978	50.3
388.18173	4.4
413.35962	1.0
442.19318	1.1
482.15768	1.0
522.15881	1.6
584.22058	1.2
626.44775	1.1
645.42566	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71906	0.4
53.03943	0.6
55.01872	0.9
55.05510	3.0
56.05834	0.5
57.03429	1.0
63.65931	0.4
67.05503	4.8
68.05830	0.6
69.07079	2.2
71.04989	0.4
79.05492	4.1
80.05817	0.7
80.45121	0.5
81.03407	0.5
81.07059	7.0
82.07392	1.4
83.04984	1.5
83.08623	1.2
85.02911	0.6
87.04449	0.4
89.06040	1.6
91.05484	3.5
92.05827	0.7
92.65938	0.6
93.07052	5.0
94.07370	0.9
95.04964	1.2
95.08601	3.3
96.08949	0.8
97.06506	0.8
97.10168	1.5
98.22637	1.0
98.23281	1.2
99.04464	1.0
105.07046	2.6
107.04958	0.5
107.08584	3.1
109.06549	0.7
109.10168	1.8
111.04459	1.7
111.08089	0.9
117.07053	1.1
119.08599	2.8
120.08940	0.5
121.06512	1.0
121.10147	1.8
123.08066	2.0
124.98888	0.4
125.09619	1.2
131.08582	1.4
133.10158	1.3
135.11723	1.2
142.36598	0.5
143.08591	1.1
145.10126	1.2
146.62120	0.5
147.08023	0.6
147.11714	0.9
148.00687	0.4
149.09608	0.6
149.13193	0.5
155.08475	0.7
157.10158	0.5
159.08015	0.7
159.11646	0.8
163.11174	1.2
165.09111	0.5
167.07048	0.6
171.08028	0.7
175.49002	0.5
177.12706	0.5
181.06425	0.7
182.07375	0.5
185.13187	0.6
189.11197	0.9
190.11501	0.5
191.10591	0.6
197.09631	0.5
201.08987	0.6
202.09846	2.6
209.09642	1.3
210.06805	0.9
210.13654	0.5
211.07568	1.8
213.05524	0.5
217.10043	0.5
219.08022	0.9
220.08859	1.5
221.09619	1.1
222.10350	0.7
223.07521	0.6
223.11328	0.9
225.09114	1.9
226.09831	0.6
227.12791	1.1
228.07915	0.5
229.07509	0.6
232.08815	0.7
233.09734	0.9
234.10333	1.2
235.07614	0.8
235.11185	2.4
236.08049	0.8
236.11717	0.6
237.05453	0.8
237.09106	3.8
238.06203	1.2
238.09804	1.0
239.06996	2.4
240.07745	0.7
242.05664	0.4
243.06432	0.7
247.07666	0.9
248.08345	2.2
249.09094	3.7
250.06305	0.4
250.09875	1.5
251.06993	1.3
251.10704	2.1
252.07808	0.7
252.11362	2.4
253.08586	1.9
253.12209	2.0
254.09489	0.8
255.06396	1.1
256.07346	2.2
257.08096	1.3
258.08832	0.6
259.06183	0.7
261.09140	1.0
262.09943	1.1
263.07358	0.8
263.10629	6.0
264.11398	1.9
265.08621	8.7
265.12222	2.0
266.05978	1.2
266.09399	2.3
266.12991	0.7
267.06528	3.6
267.10123	1.5
267.13614	2.2
268.07278	0.7
269.04404	1.2
269.07993	0.5
269.11755	1.7
270.08929	1.0
271.09653	1.6
273.18466	1.3
274.18851	0.9
276.07855	0.6
277.08612	4.1
277.11676	0.7
278.09308	1.3
279.10120	4.0
280.07724	0.5
280.10925	9.4
281.08133	2.6
281.11713	5.4
282.08871	1.5
282.12610	0.5
283.09647	1.3
284.06879	4.2
285.07504	6.1
285.10907	0.8
286.08279	0.8
287.09085	0.6
291.10205	4.2
291.13126	0.5
291.14133	0.4
291.19455	2.9
292.07849	0.5
292.10806	2.3
292.19821	1.8
293.08044	4.7
293.11652	2.8
294.08826	1.7
294.12344	1.1
295.09698	1.9
295.13226	12.6
296.13763	1.6
297.11121	2.7
298.08362	1.1
298.11737	0.8
299.09180	4.8
300.09866	1.8
302.07986	0.5
303.08646	0.6
304.09421	0.9
305.11725	1.0
306.12524	3.1
307.09634	1.9
307.12930	0.7
308.10477	5.1
309.11206	10.7
310.11893	1.8
311.09235	0.7
311.12503	0.9
312.13522	1.8
313.10663	2.2
313.14166	1.0
314.11539	3.6
317.10150	1.1
318.10724	0.8
322.11996	2.1
323.12762	11.3
324.13480	5.8
325.10681	4.2
325.14288	2.4
326.11267	1.1
327.15744	2.9
331.11716	1.3
335.25839	2.1
336.26117	2.0
337.14328	0.7
340.13004	5.6
341.13843	12.0
342.14255	0.7
345.13257	1.5
355.15390	100.0
356.16083	36.2
357.16751	2.2
366.23633	0.6
387.17996	60.0
388.18240	4.6
607.79926	0.5
626.44592	1.7
644.45306	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88723	0.3
57.13536	0.3
58.84027	0.3
60.19909	0.3
63.45111	0.3
67.05491	0.4
67.81100	0.3
69.22801	2.6
76.60242	0.4
89.06038	0.5
96.83811	0.3
98.23115	1.1
99.55419	0.3
113.36135	0.3
133.08621	0.3
155.81549	0.3
159.08072	0.3
167.07147	0.4
173.09657	0.5
177.11261	0.4
181.06473	0.3
192.09322	0.6
200.47310	0.3
201.09183	1.1
202.09888	1.2
205.06581	0.4
207.11777	0.6
208.08699	0.4
209.09589	0.7
210.06779	0.7
211.07593	1.0
219.08035	1.1
220.08870	0.8
221.09599	1.2
223.07645	0.5
223.11142	0.5
225.09030	0.7
226.06245	0.6
227.06999	0.8
233.09587	0.4
234.06859	0.5
235.07600	0.7
235.11102	2.0
237.09225	2.4
238.06328	0.6
238.09731	0.4
239.07025	0.8
239.10692	0.4
240.07785	0.9
241.04927	0.8
241.08531	0.4
243.06487	0.5
245.09650	0.4
247.07587	1.1
248.08339	2.6
249.09079	3.8
250.09827	0.5
251.07051	0.7
251.10739	1.9
252.07652	0.6
252.11499	1.7
253.08607	0.8
253.12189	0.6
254.09381	1.1
256.07318	1.6
257.08102	0.6
261.09137	0.8
262.09869	0.7
263.07770	0.5
263.10681	5.5
264.08554	0.4
264.11279	2.3
265.08627	7.2
265.11835	0.8
266.09268	1.3
266.12936	0.5
266.91953	0.4
267.06357	0.6
267.10004	0.5
267.13834	1.4
269.11642	0.6
271.09610	1.0
277.08609	8.1
278.09329	1.6
279.07022	0.5
279.10077	2.5
280.10931	7.1
281.08801	0.5
281.11642	2.5
282.08871	1.3
283.09180	0.4
284.06769	1.3
285.07733	0.7
291.10159	1.4
292.10898	1.7
293.08087	3.0
293.11661	1.9
294.08823	1.4
294.12436	1.1
295.09888	0.8
295.13278	7.9
296.13956	1.7
297.11087	1.9
299.09106	2.0
300.10037	0.5
307.09741	0.7
308.10388	2.0
309.11172	7.4
310.11627	0.8
312.13422	0.6
313.10629	0.5
318.11096	0.7
323.12756	6.6
324.13519	6.3
325.10724	2.4
325.14191	1.7
327.16019	1.0
330.10745	0.4
340.12997	3.3
341.13791	0.5
345.13184	0.7
355.15396	100.0
356.11490	0.6
356.15930	12.1
387.17969	12.7
388.18277	1.2
417.43466	0.3
524.09241	0.4
645.24738	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82111	0.7
55.05511	2.2
57.07078	32.3
58.07417	0.9
67.05512	1.4
69.07067	2.8
70.48082	1.6
71.08633	28.4
73.06547	9.0
78.36214	0.6
79.05491	0.9
81.07074	2.2
83.08623	2.5
85.10188	17.0
85.49651	0.5
87.04465	7.4
89.06033	100.0
90.06358	1.2
91.05518	1.1
91.07610	1.0
93.07037	0.7
95.08598	1.3
97.10175	4.7
99.11736	5.0
105.07010	0.7
107.07096	3.0
107.08601	0.8
109.10145	1.6
111.11733	2.6
113.13280	2.2
117.09132	8.4
130.08650	1.7
131.07060	3.3
133.08604	51.5
134.08975	1.3
135.10149	1.5
161.11720	1.3
169.19565	3.4
175.09763	1.6
177.11234	22.9
178.11609	0.7
213.22134	2.5
221.13744	3.5
239.14967	1.1
247.14969	0.5
257.24768	7.8
258.25146	0.8
265.16547	1.2
283.17535	2.2
295.13239	0.8
301.27332	4.1
309.19238	0.7
323.12830	0.7
327.19910	1.1
355.15421	5.0
356.16000	1.3
371.22656	0.9
387.17966	2.8
446.30661	0.6
459.28055	2.0
529.38806	2.6
627.46790	3.0
631.78314	0.7
644.49384	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	11.9
58.95246	6.8
67.05475	6.9
71.32517	11.6
75.04515	7.3
83.04977	12.8
105.03394	12.7
105.07021	10.6
134.86629	7.5
159.11697	7.0
165.07059	7.8
165.24396	7.6
205.33177	7.3
209.06010	9.9
221.05896	9.2
223.07457	7.7
225.09023	10.5
227.07082	7.8
235.07555	8.5
237.09081	12.0
238.06058	11.3
239.07187	8.6
240.04204	9.0
251.07094	17.8
252.07802	11.3
253.08614	19.6
256.07236	7.9
265.08624	20.0
267.06613	19.9
279.06393	12.0
280.07410	20.1
281.08084	49.1
283.06165	8.0
283.09631	12.8
293.08066	22.2
295.09647	12.0
297.07550	16.8
298.08420	13.7
301.07162	16.4
309.07666	21.4
311.09143	38.5
313.07339	13.1
313.10794	24.6
315.08673	28.7
323.09134	26.6
328.09280	16.5
329.10275	9.0
341.10306	77.1
342.10934	20.5
343.11777	30.0
355.11710	83.2
357.09726	21.2
358.10400	21.1
369.13605	17.5
371.11139	19.7
385.12656	17.4
397.12817	51.0
415.13858	18.3
423.08344	12.3
545.11920	24.5
645.17078	100.0
645.33014	13.2
646.17627	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39602	3.0
55.05515	34.3
69.08479	3.2
71.32418	3.6
73.00311	3.0
82.10059	3.0
83.04988	47.2
91.05500	5.8
93.07082	3.7
95.08606	7.2
97.06517	2.8
99.04462	14.1
103.05486	7.8
105.03397	8.1
115.05466	10.7
119.08600	3.5
121.06483	3.3
127.03924	10.3
131.04945	16.3
132.05757	5.6
133.10236	3.6
165.07007	3.4
205.06528	4.3
207.08263	5.5
207.10173	18.0
222.06763	6.9
235.07506	9.2
236.08324	6.0
237.05554	5.6
237.09145	10.5
238.06186	3.5
239.07050	6.7
239.10669	5.9
240.07933	4.0
241.08565	4.8
249.09079	3.6
250.06291	8.3
251.03429	8.3
251.07100	9.8
252.04193	4.8
252.07817	11.2
253.04971	4.5
253.08559	7.9
254.09225	5.1
263.06989	7.9
265.05185	7.2
265.08615	20.7
266.05829	8.7
266.09222	4.6
267.03006	3.7
267.06540	9.4
267.10208	17.1
268.07422	5.6
270.05295	3.3
271.06033	6.2
279.06433	7.4
280.07315	13.1
281.04599	3.4
281.08023	10.2
282.05301	3.5
282.09009	6.9
283.06113	4.7
283.09808	4.7
292.07336	4.9
293.05017	4.1
293.08157	22.1
294.05389	5.5
294.08777	9.2
295.06305	5.9
295.09665	40.8
296.06927	5.0
296.10254	4.2
297.07565	36.2
297.10861	6.2
298.08267	4.3
299.09027	6.9
300.06369	5.3
305.08057	6.3
308.06851	7.0
309.07504	10.4
309.11160	6.0
310.08438	10.8
311.05551	8.4
311.09204	7.7
312.09811	4.6
313.06979	10.6
313.10501	5.2
314.07590	3.8
315.08707	13.2
323.09174	36.0
324.09872	9.8
325.07123	6.5
325.10715	34.9
326.07904	8.9
326.11511	5.4
327.08575	16.7
327.12256	8.9
328.09332	6.2
329.09839	7.1
333.07758	3.6
337.10730	9.1
339.12317	6.8
340.09448	6.0
342.10947	23.2
353.10190	7.8
355.07922	2.6
355.11707	65.1
356.12216	7.8
357.09192	5.4
357.13330	56.3
365.10413	4.8
366.10852	3.6
367.11646	7.5
369.13315	7.4
379.11896	5.8
381.13174	7.6
397.12839	11.5
399.14377	13.3
421.12613	100.0
422.12915	3.9
509.32300	11.3
523.19489	19.1
543.16187	43.3
544.16260	4.7
569.88672	4.0
645.23022	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2513
Annotation	Buddlenol D
Peak:m/z	Relative Intensity
55.05528	0.5
67.05501	0.9
69.03433	0.5
71.30581	0.5
79.05499	0.5
79.32697	0.4
81.07060	1.2
83.04997	0.4
89.06044	0.4
90.29478	0.4
91.05510	0.5
93.07074	0.5
95.04998	0.6
95.08608	0.7
105.07047	0.7
107.08619	1.0
109.06520	0.5
119.08586	0.7
121.10169	0.3
128.01041	0.4
133.10222	0.4
137.06003	1.5
143.08478	0.4
145.10149	0.4
151.07573	0.5
153.05469	0.5
155.08636	0.5
156.09578	0.4
157.10114	0.5
161.09586	0.4
184.07387	0.5
186.61150	0.5
189.09097	0.5
253.16081	0.4
381.20346	0.6
433.23331	1.0
435.18335	0.7
435.25116	0.5
439.20743	0.8
441.22513	1.7
453.19083	0.6
461.22980	1.7
462.23309	0.4
477.22458	0.9
479.24069	1.9
493.25909	1.0
495.20523	0.6
495.27328	0.9
511.26703	0.8
521.25122	2.0
537.24530	8.7
538.24908	1.0
539.26166	7.4
555.25592	1.9
565.24359	0.6
583.25092	5.6
584.25677	0.7
627.23999	0.6
645.25122	100.0
646.25421	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60848	2.1
67.05518	3.7
71.32474	2.9
71.32832	2.3
81.07074	5.7
89.06037	2.7
91.05520	2.8
93.07053	7.1
95.05000	4.0
95.08591	6.1
105.07098	2.7
130.79642	2.4
133.10173	3.6
159.11703	2.7
163.54671	2.2
188.32578	2.5
191.08316	2.6
247.45197	2.5
262.11191	2.6
270.04306	2.3
303.13809	2.9
424.12631	4.1
425.13635	100.0
425.18948	5.1
426.13849	10.9
519.20715	2.8
645.31580	49.7
645.44287	3.2
646.32092	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77475	2.6
55.05502	2.3
59.92753	2.2
66.53044	2.3
67.05498	6.8
69.07066	4.4
69.24200	17.0
71.08618	2.7
79.05466	3.7
81.07042	5.6
83.08646	3.6
85.76787	2.9
89.06064	3.8
91.05504	2.8
93.07041	5.2
95.08595	5.0
97.10193	3.3
98.22618	4.8
107.08595	5.9
109.06527	3.1
109.10163	3.0
119.08607	2.4
132.47353	2.3
180.46700	2.9
314.20514	2.7
425.13611	100.0
426.13989	11.3
499.80307	2.5
547.40417	4.6
645.31805	82.2
646.32147	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23392	1.0
53.09349	1.1
53.84045	1.0
69.28968	7.6
82.16187	1.2
98.22586	2.1
105.03402	6.5
128.59824	1.2
152.06236	2.0
165.06941	1.8
167.08646	1.7
176.63371	1.0
181.06506	1.2
182.07289	1.3
183.99976	1.2
193.06546	1.8
194.07243	1.6
195.08109	4.2
199.07635	1.6
205.06538	1.5
208.05217	2.6
209.05952	2.4
210.06764	3.9
211.07503	3.4
221.06049	3.7
222.06773	3.5
223.07545	7.6
224.08276	2.8
225.05566	1.3
225.09065	7.8
226.06259	1.6
227.07103	3.3
233.05894	1.7
234.06709	2.0
235.07535	4.8
236.04807	4.2
236.08235	1.8
237.05524	5.4
237.09135	2.3
238.06210	10.5
239.07016	6.7
240.04172	6.8
240.07747	1.3
241.04797	1.6
242.09413	2.8
243.02925	1.7
249.05551	3.2
250.06120	2.3
251.07034	26.2
252.07866	10.2
253.04959	1.8
253.08574	20.9
254.05743	2.9
254.09323	1.4
255.06444	3.1
255.10132	1.9
256.07251	2.2
263.07059	4.5
264.07794	1.9
265.05035	3.3
265.08646	2.8
266.05768	9.6
267.06506	8.3
267.10263	4.1
268.07413	6.7
269.08121	4.9
270.08875	2.9
271.06082	2.2
271.09332	1.8
277.04529	1.4
279.06516	18.5
280.07220	9.1
281.08063	47.8
282.05652	1.7
282.08649	5.9
283.06039	7.5
283.09686	8.2
284.06747	2.2
285.07562	3.4
285.11084	1.8
286.04617	5.6
293.08081	3.4
294.08917	1.9
295.06027	3.8
295.09650	8.7
296.06821	4.4
297.07590	7.8
297.11206	4.1
298.08334	9.2
299.05472	3.3
299.08755	1.6
301.07001	11.8
309.07602	14.2
309.10977	2.2
310.08261	5.6
311.05661	1.6
311.09100	30.6
312.09805	6.6
313.07065	7.8
313.10718	31.7
314.07803	3.0
315.08643	6.6
323.09116	5.5
325.07352	1.6
325.10770	4.7
326.08017	1.6
327.08539	3.5
327.12332	2.8
328.09427	28.3
329.10019	4.8
335.09238	2.0
337.10583	2.0
341.10193	100.0
342.10699	8.7
343.11761	42.2
344.12241	4.1
345.09625	2.3
352.09244	1.9
353.10141	4.7
355.11777	22.4
356.12045	2.2
367.11713	14.2
385.12784	30.0
386.13083	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.05513	87.4
56.05869	1.6
62.75100	1.2
68.19391	1.3
72.22734	1.2
83.04984	100.0
88.94930	1.3
94.20361	1.4
98.23109	9.0
105.83142	1.4
119.04917	1.6
139.03926	2.3
147.04419	1.7
167.08621	1.4
175.03999	2.1
179.08548	2.3
181.06363	1.5
189.01790	3.7
195.08052	3.5
205.04926	1.7
205.06633	2.6
205.08678	1.4
207.08099	1.4
209.05943	2.0
210.06519	2.2
211.07530	2.4
213.05434	2.2
217.01341	4.9
221.05954	1.8
223.07495	6.6
225.05177	1.9
225.09042	1.8
226.06194	2.3
227.03610	1.9
227.06998	7.4
228.04100	2.2
233.06071	1.8
235.07475	2.9
237.05472	2.9
238.06210	3.0
239.03447	1.7
239.06982	6.5
241.04944	3.4
243.06549	4.0
249.05508	2.2
250.06306	2.0
251.07085	7.3
253.04933	5.6
253.08646	6.9
255.02937	2.5
257.08112	1.6
263.07065	8.0
264.07813	2.7
265.04816	1.7
265.08566	10.1
265.11026	2.9
266.05710	5.7
266.09131	1.6
267.02768	1.8
267.06476	11.0
269.08060	1.7
270.05222	3.0
277.04877	1.9
278.05750	1.7
279.06552	8.7
280.07220	1.9
281.04861	1.8
281.08044	28.4
282.08731	4.4
283.09564	1.9
291.06583	7.4
292.06967	1.7
293.04514	2.4
293.07941	11.6
294.05185	3.0
294.08466	2.3
295.05933	14.4
296.06580	3.9
297.04037	2.2
299.09250	4.1
309.03943	2.5
309.07550	38.8
310.08218	6.2
311.09106	4.9
313.07132	2.3
313.10635	4.0
315.04843	3.2
319.06018	9.3
321.07816	2.8
323.05630	3.0
323.09113	4.1
325.03336	4.5
325.10623	7.8
327.08591	6.4
337.07080	37.0
338.07541	3.2
341.06552	2.1
341.09961	6.8
351.08591	9.4
352.09055	1.8
353.09940	3.5
355.08185	3.2
365.06607	9.8
369.09677	98.8
370.10120	10.5
371.07690	5.7
379.08008	8.0
383.11023	1.6
393.13419	3.0
397.09198	24.6
398.09586	2.0
411.10474	2.4
415.10342	4.1
429.11740	12.9
444.19672	1.7
470.17255	1.7
558.22461	1.9
586.22083	8.6
601.53937	1.7
618.24127	1.7
646.24286	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.4
55.05509	67.6
55.93520	0.6
56.05843	1.4
57.07059	1.6
59.33275	0.6
67.05511	0.7
71.08628	0.8
71.30220	1.2
79.05473	0.8
81.03403	1.4
81.07037	0.7
83.04976	100.0
84.05320	1.7
91.05479	1.3
93.07022	3.1
94.99462	0.7
95.04972	2.5
105.03382	17.7
105.04476	1.1
105.07046	0.9
117.07057	1.6
119.08564	1.1
121.06465	0.7
149.09639	1.3
151.07533	0.8
152.06123	0.7
165.06929	0.8
169.62907	0.6
175.03889	1.4
177.09109	1.9
179.07100	0.9
179.08557	1.4
181.06454	1.1
189.01768	3.2
195.08092	2.4
197.09560	0.7
199.03943	0.7
205.06609	1.2
205.08632	2.9
207.08047	1.9
209.05922	0.7
213.05560	1.2
217.01337	3.5
223.07614	2.8
224.08113	0.9
225.09137	0.7
226.06258	1.2
227.03397	0.8
227.07089	2.6
233.06128	0.7
235.07568	2.9
236.04791	0.8
237.05475	2.0
238.06190	1.6
239.03299	0.8
239.07062	2.5
240.07710	0.7
241.08557	0.8
243.06563	1.9
249.05508	2.0
250.06287	1.6
251.06956	4.2
252.04234	1.1
252.07741	1.2
253.04898	1.9
253.08687	3.2
255.02861	1.3
255.06531	0.7
263.06961	4.8
264.07764	1.5
265.05045	1.8
265.08591	5.4
265.10861	1.8
266.05795	2.9
266.09393	0.9
267.03131	1.2
267.06497	10.9
268.07031	1.2
269.08121	1.1
270.05231	1.6
273.03934	0.9
277.03354	0.7
278.90796	0.6
279.06369	3.9
280.07034	1.3
281.04599	1.9
281.08017	18.7
282.08774	12.8
283.09351	1.7
285.04190	0.7
285.07346	0.8
289.04880	0.6
291.06470	5.3
292.07285	2.2
293.08047	6.1
294.05136	1.9
294.08484	1.3
295.06039	8.4
296.06766	1.8
297.03955	1.3
297.07422	0.8
298.08173	0.6
299.05603	1.1
299.09186	1.7
307.06158	0.9
307.09692	1.3
308.06747	1.5
309.07535	32.4
310.08191	6.4
311.09180	1.3
313.07181	1.2
313.10580	1.4
315.04947	2.0
319.05984	6.2
321.07462	1.3
322.04501	0.8
323.05682	1.4
323.09174	3.3
324.10019	0.8
325.03494	2.8
325.10791	1.4
327.08701	1.4
337.07025	18.3
338.07632	1.9
341.10117	3.9
349.10776	1.2
350.11594	0.8
351.08667	8.8
352.08826	1.0
353.10291	2.3
355.08124	0.8
355.15527	0.9
365.06628	2.4
369.09659	48.2
370.09991	3.5
371.07648	2.5
379.08005	3.6
381.13370	5.3
383.11349	1.0
397.09134	22.8
397.14282	1.1
398.09708	2.0
401.11761	0.8
411.10812	3.3
415.10345	1.4
429.11816	15.5
430.12451	1.5
505.38593	6.0
511.15982	1.9
647.18909	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	4.3
55.05513	74.1
56.51592	3.7
64.13776	3.5
67.05504	16.0
69.07080	9.4
70.06593	7.3
79.05485	5.6
81.07067	10.2
83.04986	99.8
85.06546	91.8
86.09664	5.2
88.07626	10.8
91.05457	3.8
93.07059	7.5
95.04972	9.5
95.08600	5.7
98.22541	7.3
102.09158	5.5
105.07031	5.6
109.10130	5.5
112.07634	5.4
113.06017	22.2
129.21980	3.9
133.10117	6.0
137.05986	3.9
145.10228	4.6
149.02307	32.2
171.91315	4.1
182.07292	6.1
184.07349	7.0
189.09274	4.2
193.05005	6.5
194.07143	4.1
194.23210	3.6
199.07454	5.3
200.20100	20.6
203.08415	3.5
209.05946	6.2
210.06866	4.9
213.11243	24.0
221.05992	8.1
223.07529	9.1
225.05409	6.3
226.06149	3.9
227.07013	10.5
234.06708	6.5
235.07538	9.4
237.05547	6.1
238.06230	11.0
239.07109	12.9
240.04204	17.0
242.05852	6.7
243.02756	5.0
248.04750	4.6
249.05653	4.9
250.06223	11.3
251.06993	12.6
252.04315	7.3
252.07701	8.6
253.05003	16.9
253.08629	13.6
254.05717	13.2
255.06506	13.3
256.07501	4.9
257.07968	6.5
261.05685	4.4
262.06198	11.8
263.07037	17.6
264.07748	7.3
265.04944	7.3
265.08496	10.9
266.05762	39.2
267.06573	37.3
268.03864	7.8
268.07031	8.2
269.08105	7.3
271.05844	8.7
271.09720	6.7
278.05676	15.4
279.06448	18.1
280.03989	5.1
280.07330	13.7
281.04849	8.5
281.08047	26.3
282.08609	5.2
283.06046	32.4
284.06601	6.3
285.07651	12.1
286.04776	20.1
291.06583	18.9
292.07227	14.6
293.04672	8.1
293.08099	27.7
294.05176	16.5
294.08167	4.3
295.05997	17.6
295.09656	13.6
296.06738	7.9
297.04587	4.3
297.07492	23.7
298.08145	6.2
299.05637	10.5
299.09164	8.9
300.06244	8.8
301.07068	30.4
305.08069	5.6
306.05319	6.6
307.05923	12.4
308.06726	10.6
309.07593	34.2
310.08081	7.9
311.05692	5.9
311.09143	20.7
312.06168	8.4
313.07034	44.1
313.10693	15.2
314.07782	12.0
315.08627	39.3
316.09445	4.3
319.05963	9.7
320.06787	7.8
321.07468	27.5
322.08240	12.0
323.05405	13.9
323.09085	25.0
324.06131	6.1
325.07083	20.5
325.10587	7.4
326.07779	5.3
327.08667	56.1
328.09409	31.8
329.10110	14.9
335.05493	5.2
337.07196	21.9
337.10617	7.7
338.07681	18.2
339.04861	7.3
339.08569	30.8
340.08978	5.2
341.06583	8.8
341.10242	22.5
343.11847	22.2
349.07043	12.6
350.07651	5.5
351.08673	10.5
352.09338	6.5
353.06253	4.7
353.10162	59.9
356.08884	9.1
357.09512	6.8
366.07281	10.5
368.08926	6.2
369.09818	34.7
371.11301	46.9
381.09628	67.2
382.09561	4.4
385.12823	24.0
397.12814	7.9
398.09918	8.1
399.10571	97.1
400.10800	5.6
411.14493	49.6
412.15125	59.2
413.15732	13.0
423.14310	9.3
425.16202	10.2
429.11298	7.1
437.16016	20.2
453.15082	7.6
455.17001	15.1
465.15308	14.9
469.86594	4.4
471.16324	11.1
473.14227	7.2
483.16510	100.0
484.16815	11.7
501.17758	9.4
529.16937	15.5
611.21106	15.3
623.84332	4.7
623.95966	4.5
639.15778	4.5
646.31732	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.05512	58.7
56.05847	1.0
59.05007	0.5
67.05508	2.3
79.05499	1.4
81.03408	1.1
81.07057	1.7
83.04982	100.0
83.08635	0.6
84.04488	0.5
84.05293	2.2
90.82523	0.5
91.05483	2.1
92.88674	0.4
93.07041	1.9
95.04958	0.6
95.08618	1.2
98.22599	0.7
103.05531	0.5
105.03436	0.6
105.07024	1.5
107.08605	1.4
117.07048	0.5
118.52866	0.4
119.08545	1.3
121.06491	0.6
121.10147	0.5
129.07025	0.9
131.08591	1.0
133.10109	0.9
141.66212	0.5
143.08618	0.7
145.10153	0.9
147.11726	0.6
152.06259	0.7
153.07036	0.8
159.11655	0.5
161.13208	0.6
165.07071	0.7
167.08560	0.6
181.06480	1.5
181.10141	0.7
183.07996	0.5
191.03275	0.6
195.08054	0.8
197.09663	0.5
201.05534	0.6
207.08115	0.6
209.05988	2.4
213.05484	3.3
217.01398	2.1
219.02762	1.0
221.06064	0.5
223.07584	0.8
226.06427	0.7
227.07002	1.7
229.05092	0.9
235.07530	1.5
236.04637	0.6
237.05450	1.8
237.09055	0.6
238.06285	1.0
239.03500	0.7
239.06999	4.5
240.07716	1.1
241.08440	0.7
249.05502	1.3
250.03915	0.5
250.06190	2.9
251.07025	2.7
252.04207	1.3
252.07692	0.6
253.04893	1.0
253.08667	1.5
263.07101	0.9
265.05206	1.0
265.08606	4.2
266.05774	3.4
266.08447	0.6
267.06525	18.6
267.15967	1.1
268.07047	1.7
269.17490	0.6
277.05017	1.4
279.06531	1.2
281.04953	0.8
281.08026	6.2
282.08609	2.2
283.09647	1.1
291.06522	2.4
292.07251	0.7
293.08002	0.9
294.05185	1.3
295.05981	2.7
297.03882	1.7
297.07349	1.1
298.04865	0.6
299.09161	0.9
301.07214	0.7
309.07535	5.9
310.07965	0.8
311.05441	0.6
311.09042	0.8
313.10754	0.7
319.05862	0.5
321.07422	0.9
323.09061	1.0
325.07065	1.4
327.08636	17.9
329.06662	1.0
337.07114	2.0
341.06198	1.1
341.10190	15.7
342.10574	1.2
345.09769	1.0
351.08524	2.3
353.09985	0.9
355.08112	7.2
355.15402	1.8
369.09644	10.1
370.09863	1.4
397.09073	4.7
401.12323	1.1
427.13885	15.1
428.14136	1.5
429.11523	0.6
455.13126	1.3
461.29175	0.7
497.14459	1.6
647.37543	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.05513	65.8
56.05856	1.0
58.45545	1.0
66.36849	0.9
71.32173	1.4
81.07043	1.6
83.04982	100.0
84.05306	1.1
89.28294	0.9
91.05490	2.4
93.07059	1.1
105.03406	3.7
106.03701	1.4
107.08613	1.3
167.08577	1.1
175.03973	2.4
179.08598	1.5
195.07973	1.0
207.08150	1.3
209.06015	1.9
211.07570	1.4
213.05539	1.4
223.07588	3.0
225.05525	1.3
226.06168	1.9
227.06999	2.1
235.07448	1.4
237.05472	1.4
238.06131	1.2
239.03375	1.4
239.07069	4.2
240.07774	1.8
241.08604	3.3
249.05397	2.0
250.06279	1.3
251.07056	2.6
253.05077	3.0
253.08536	6.0
255.10048	1.8
263.07019	4.7
264.07684	1.2
265.05008	1.4
265.08621	5.2
266.05685	2.1
267.06396	5.9
269.08167	2.0
270.08813	1.3
271.06058	3.2
279.06586	1.7
280.07449	1.2
281.08118	15.9
282.08746	3.2
283.09619	2.1
285.07507	1.6
291.06458	4.3
292.07404	1.8
293.08063	2.9
295.06152	4.9
295.09302	1.6
299.09036	2.1
308.06937	1.4
309.07608	9.1
310.08395	2.1
311.05655	1.8
311.09006	6.9
313.10657	16.0
314.11182	1.6
319.06039	4.2
323.05368	2.6
323.09143	6.5
324.09647	2.1
325.10822	2.8
327.08582	3.2
336.06335	1.5
337.07114	8.2
341.06305	1.2
341.10147	4.6
342.10910	4.6
351.08640	11.4
353.09988	2.4
355.08081	2.4
355.11905	3.3
365.06558	4.1
369.09653	9.3
371.07550	3.6
379.08127	6.1
383.11298	4.0
393.13235	6.7
397.09167	9.7
401.12390	3.7
411.10828	4.8
415.10342	3.5
429.11847	12.9
430.12488	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01875	11.7
55.05505	7.7
57.03441	18.1
59.04982	2.8
61.02930	7.1
67.05500	7.9
69.03435	26.6
69.07073	5.1
70.06587	2.3
71.01347	4.7
71.05018	3.4
71.29127	2.9
73.02920	20.4
79.05491	9.4
81.03420	5.6
81.07059	21.4
83.04961	2.7
83.08630	3.6
85.02906	81.8
87.04483	4.6
91.03949	1.7
91.05479	5.5
93.07056	16.4
95.05035	1.5
95.08609	27.4
95.09171	3.0
96.08906	1.8
97.02900	38.7
97.06532	4.2
97.10165	9.3
99.04457	4.6
103.03963	2.3
105.07035	12.2
107.04958	1.9
107.08598	14.7
109.02892	5.9
109.06502	3.3
109.10160	12.5
115.03930	17.9
117.07041	3.8
119.08601	12.9
121.10148	14.6
123.08072	4.6
123.11697	8.2
127.03920	22.8
129.06993	3.7
131.08577	10.2
132.06599	2.1
133.04964	23.5
133.10127	10.2
135.04416	1.9
135.08086	3.4
135.11716	7.3
137.05974	2.4
137.13202	2.1
143.08553	6.6
145.04974	26.1
145.10129	7.7
147.11717	7.9
149.09680	3.7
149.13260	13.0
150.07610	6.1
155.08568	2.1
157.04932	1.5
157.10117	9.0
159.11703	8.3
161.09645	1.9
161.13252	8.0
163.06030	16.7
163.14796	5.2
167.10576	2.2
169.10068	1.9
171.11700	5.5
173.13310	7.9
175.11174	2.4
175.14793	8.5
177.12799	1.8
177.16383	2.6
183.11673	2.3
185.13264	10.4
187.14847	3.3
189.16435	3.7
197.13268	2.5
199.14874	6.3
201.16409	6.8
203.14354	7.0
203.17992	3.8
211.14888	3.3
213.16451	2.1
217.07225	2.1
217.15880	3.9
221.15329	8.2
223.05997	3.3
225.16357	4.5
227.18004	1.9
229.15796	3.0
229.19447	3.7
241.07104	5.6
241.19591	2.4
255.21045	3.9
259.08105	3.5
261.18564	1.9
271.24170	7.3
281.22650	44.5
282.22913	3.7
295.10156	1.6
299.23697	73.7
300.24011	7.2
306.94797	1.8
317.24759	100.0
318.24988	8.2
330.48752	1.6
335.25812	42.0
336.26141	2.1
337.95013	1.8
378.33386	1.6
539.77203	1.8
543.77563	1.6
658.77332	1.8
660.08179	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.41
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11385	0.3
53.03946	2.1
55.01865	0.4
55.05512	5.3
57.03430	0.7
57.07079	17.4
65.03928	0.6
67.05506	11.0
69.03437	1.1
69.07066	3.6
71.01330	0.4
71.04980	0.4
71.08630	12.3
78.98784	0.3
79.05490	5.8
81.03418	37.5
81.07059	12.5
82.03754	0.7
83.04944	1.6
83.08620	10.6
85.06570	0.3
85.10184	7.2
91.05479	8.3
92.05795	0.4
93.07034	3.6
95.04365	0.4
95.04974	9.5
95.08604	11.5
96.05357	0.4
96.08935	0.3
97.02889	0.7
97.06525	0.8
97.10180	3.2
97.50750	0.3
98.23095	2.2
98.98497	0.4
105.07030	5.9
105.09322	0.3
107.04959	2.8
107.08604	1.9
109.06540	1.2
109.10154	4.8
111.04438	0.7
111.08094	2.6
111.11691	0.5
115.05472	0.7
117.07030	0.7
119.04945	0.4
119.08570	4.3
121.06519	1.2
121.10146	2.6
123.08036	0.8
123.11699	1.9
124.01598	0.5
128.06271	0.4
129.07002	4.7
131.08578	4.4
133.06500	1.4
133.10126	2.3
135.11653	0.6
137.09622	0.7
137.13252	0.8
142.07782	1.2
143.08492	0.4
145.10083	0.7
147.08076	1.2
147.11710	2.5
149.09616	1.7
157.10115	2.9
165.12733	0.7
169.10191	0.5
173.09575	0.4
175.11177	3.4
193.12233	9.5
194.12512	0.5
195.11772	0.3
198.13626	0.4
199.53336	0.3
201.09111	0.5
202.09874	0.9
209.09636	0.4
211.07603	0.4
220.08917	0.5
235.11282	1.3
236.16435	4.5
237.09152	1.2
238.06494	0.4
239.07101	0.6
239.23672	3.1
241.04866	0.4
242.05754	0.3
248.08383	1.0
249.09135	1.4
249.14896	2.7
251.10599	0.8
252.11514	1.1
254.09344	0.4
256.07254	0.9
261.09262	0.5
263.10709	2.7
264.11563	0.9
265.08597	3.5
266.09155	0.7
267.13474	0.7
267.15930	1.4
269.11771	0.5
271.09756	0.6
277.08615	3.8
278.09363	0.8
279.10211	1.2
280.10864	3.3
281.11697	1.3
282.08878	0.4
282.27917	1.4
285.07443	0.5
287.09125	0.4
291.10123	0.7
292.11075	0.7
293.08093	1.3
293.11432	0.6
294.08817	0.9
294.12433	0.7
295.13242	4.8
296.13904	0.5
297.11359	0.8
299.09152	1.1
300.10071	0.4
307.09821	0.5
308.10486	1.1
309.11179	3.4
310.11792	0.7
313.27420	1.4
318.11053	0.5
323.12799	3.8
324.13553	4.0
325.10757	1.5
325.13879	0.6
327.15918	0.6
340.13037	1.8
355.15387	40.0
356.15915	6.2
357.16333	0.5
387.18011	10.5
388.18234	0.9
498.26282	0.4
505.38858	100.0
506.39188	12.0
646.43115	1.5
647.42932	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89005	3.1
57.07077	8.3
67.05499	5.6
69.07066	3.3
69.23656	23.0
69.25861	2.8
74.88704	3.0
81.07052	8.5
83.08629	3.2
85.10202	3.8
87.00129	3.1
87.07187	3.4
91.53743	2.8
93.07045	5.1
95.08604	5.6
101.61125	3.7
104.31406	3.1
117.24577	3.2
121.10121	3.8
132.41054	2.8
159.87924	3.2
168.41994	3.3
184.12943	3.2
211.20586	3.7
213.09084	3.8
224.75974	3.2
241.08597	4.5
264.11359	4.0
265.08801	3.9
269.08157	4.0
271.09634	6.7
278.09415	3.3
279.10223	4.5
281.08212	4.8
282.08844	5.5
285.07458	3.3
285.11096	4.0
286.08142	4.2
287.09354	3.5
291.10367	4.5
293.11761	3.6
294.64719	3.7
295.13239	10.7
296.10385	4.6
297.11240	3.0
298.08441	4.7
299.09030	7.8
301.10724	4.7
302.07764	4.3
303.08493	4.1
307.13159	4.9
308.10437	5.8
309.11380	3.8
309.14777	7.1
311.12454	3.4
312.09979	6.4
313.10648	10.3
314.11566	5.8
315.08606	3.4
317.10172	7.0
318.11005	10.8
322.11761	6.3
323.12628	20.2
324.13461	7.5
327.12375	8.2
327.16443	3.8
328.12933	5.5
331.11874	5.0
332.12708	15.4
337.14447	19.1
338.15051	14.0
339.12292	8.4
339.15973	4.8
341.17416	5.9
345.13278	6.2
354.14664	4.1
355.15210	23.9
356.15732	17.0
357.16016	10.2
359.14975	5.8
369.16983	26.0
370.17819	26.9
401.19543	100.0
402.19794	7.0
540.20703	3.4
611.39374	71.5
612.39618	13.3
646.24829	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88810	0.4
60.25548	0.5
69.42862	2.7
71.05004	0.9
80.10340	0.4
80.47932	0.4
85.02927	0.5
94.28178	0.3
94.90038	0.4
107.58846	0.4
137.05988	0.8
167.07086	0.6
185.04257	0.8
191.03448	0.6
218.34966	0.4
291.08841	0.4
331.09979	15.8
332.10345	1.1
338.04001	4.3
339.04819	1.4
375.05618	1.2
393.07111	0.5
417.06372	0.5
501.09589	1.0
601.40509	1.5
619.41351	1.4
620.40216	0.8
647.15778	100.0
647.39447	5.9
648.16058	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.5
51.02382	1.8
53.03719	0.4
53.03948	6.5
55.01867	0.4
55.05272	0.5
55.05513	6.2
56.05843	0.6
56.72364	0.3
57.07069	0.5
61.10232	0.3
62.39997	0.3
65.59525	0.3
67.05494	1.0
69.07060	0.5
69.92109	1.0
71.08611	0.7
72.99081	0.3
73.06560	0.4
75.04461	0.4
75.65173	0.3
77.03890	1.5
79.05492	0.3
81.00271	0.3
81.03411	2.3
81.07047	0.9
83.04980	9.9
83.08608	0.4
84.05310	1.4
91.05481	1.1
93.07030	0.7
95.04973	8.3
95.08595	0.8
98.22757	0.4
99.04456	0.7
105.03388	100.0
105.04533	3.9
106.03712	2.9
107.04951	0.4
108.05681	0.3
110.62263	0.3
119.08560	0.5
119.43435	0.3
123.08092	0.5
131.08580	0.6
133.10135	0.4
136.05185	0.6
147.11649	0.4
151.07530	3.2
159.07985	0.4
161.18144	0.3
166.63426	0.3
179.07025	5.0
179.08488	0.6
197.02512	0.4
209.09511	0.3
213.05464	0.4
219.08128	0.4
220.08850	0.7
222.06906	0.4
223.07520	0.5
227.07018	1.0
234.10587	0.3
235.07532	0.5
235.11179	0.4
237.05353	0.4
239.07132	0.5
247.07512	0.6
248.08432	1.2
249.09171	0.8
250.06416	0.3
251.06934	0.6
252.04327	0.3
252.07655	0.5
253.01414	0.5
253.04840	0.5
253.08653	0.6
255.06392	0.3
261.08951	0.6
262.09924	0.4
263.07120	1.1
263.10669	1.1
264.07709	0.4
264.11057	0.5
265.04996	0.5
265.08633	1.7
266.05716	0.5
266.08710	0.4
267.06439	0.8
267.09842	0.3
268.06860	0.5
269.04593	0.7
270.05316	0.3
276.07675	0.7
277.05289	0.4
277.08643	0.9
278.05835	0.3
278.09274	0.5
279.06891	0.5
279.10202	1.0
280.07153	0.7
280.11127	0.3
281.05133	0.3
281.08157	1.4
281.11212	0.3
282.05310	0.3
282.08649	1.0
282.61240	0.3
283.06042	0.4
283.09186	0.5
289.08658	0.4
290.09167	0.7
291.06647	0.8
291.10196	1.5
292.07175	0.4
292.10944	0.5
293.08044	1.7
294.05212	0.8
294.08459	0.5
295.06082	0.9
295.09662	1.1
295.13315	0.8
296.03311	0.7
296.06488	0.5
297.03937	0.9
298.04828	1.0
303.10153	0.3
304.07278	0.6
305.08209	0.7
306.05426	0.6
306.08984	1.5
307.09659	1.1
308.06958	0.6
308.10464	0.8
309.07565	3.0
309.11020	0.5
310.08075	2.6
311.05536	1.1
311.09128	0.7
311.12772	0.5
313.07043	5.0
313.10480	0.5
314.07367	0.6
319.05997	0.7
319.09662	0.6
320.06573	0.6
321.07697	0.5
321.11240	2.8
322.11749	0.4
323.09149	1.2
323.12857	3.0
324.09814	0.7
325.07175	0.5
325.10626	0.4
326.07712	0.5
333.07709	0.5
334.08368	0.9
335.09253	0.9
337.07108	1.1
337.10834	0.8
338.07379	0.9
338.11340	0.6
339.08664	1.1
339.12369	1.3
341.10196	2.6
349.10730	6.7
350.11475	2.6
351.08435	1.6
351.12357	1.8
352.09152	0.7
353.09952	0.5
353.13870	4.7
354.14603	0.5
356.15714	0.5
365.09961	1.7
366.11011	1.2
367.11853	0.5
369.09787	1.4
369.13498	0.7
370.09985	2.5
381.13306	33.2
382.13742	3.1
397.08627	0.6
397.13025	1.1
398.09491	1.1
399.14389	0.4
419.11295	0.4
429.12076	0.5
430.12228	0.5
438.06381	0.4
465.44345	0.4
473.15845	0.3
474.66495	0.4
475.17804	0.5
503.17020	1.5
505.38715	2.8
506.39441	2.0
511.13617	0.4
525.15186	1.1
583.24323	0.4
613.22119	0.3
647.18835	10.1
647.43933	0.4
648.19037	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33173	0.8
53.03946	1.7
56.96577	2.6
65.86594	0.7
95.04986	1.2
98.97591	1.7
99.05602	1.6
100.11274	3.5
103.05473	36.5
109.90574	0.8
115.97532	0.8
116.98600	1.5
131.04939	29.6
145.75131	0.9
178.37151	0.8
194.92770	0.9
195.98405	0.8
223.02805	1.7
271.09479	0.8
285.04059	0.7
285.07614	3.6
285.10654	0.8
295.04926	1.5
299.09338	0.8
301.10690	1.6
302.11597	1.0
315.05505	1.0
315.12296	12.4
323.12616	1.4
330.04285	0.9
333.06366	2.2
338.14957	2.3
343.04846	1.4
345.02454	0.9
346.03607	1.0
354.14664	0.9
357.06543	1.1
359.04248	2.0
360.05313	1.7
361.05945	3.6
363.03757	1.2
363.07751	1.6
369.17120	1.3
371.08115	1.0
373.05734	1.0
374.02963	1.2
375.03751	1.5
379.06818	1.7
385.09473	1.3
386.06467	1.0
386.17148	3.4
387.07486	1.9
388.08417	3.5
391.06943	1.3
398.06732	1.2
399.07480	3.0
400.08453	1.0
402.10043	2.0
403.10791	2.5
406.09329	4.5
409.09521	1.3
412.08066	1.8
413.09088	2.4
414.09796	1.2
415.10461	2.3
417.08279	1.4
419.10471	0.9
427.10477	2.3
430.09442	2.8
431.10193	2.5
432.10788	1.0
437.09381	1.1
442.13205	2.0
445.11795	4.6
446.12195	2.2
455.10242	1.3
457.15469	1.3
460.14294	4.9
461.14609	2.1
463.12775	2.9
470.12457	1.1
471.13583	1.0
475.16840	5.5
478.15131	16.7
479.15521	1.3
493.17435	16.0
494.17380	1.2
496.16183	3.7
499.16406	1.3
511.18463	7.9
517.17499	48.3
518.17773	3.4
535.18481	15.2
536.18604	1.7
558.20001	2.7
587.20630	1.1
605.20398	4.9
623.21442	1.7
632.19385	1.5
647.21423	100.0
647.33649	35.7
648.21729	13.5
648.33752	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01878	1.6
55.05514	48.8
57.03426	2.9
59.04994	2.9
61.02927	1.3
69.03389	6.7
69.03774	8.1
69.82333	0.8
71.05009	1.3
72.96764	0.9
75.04476	1.4
79.05502	2.1
81.03410	4.9
81.07069	1.1
83.04982	93.0
84.05326	1.7
85.02898	11.7
85.06489	0.9
87.04463	4.3
91.05474	6.1
93.07030	4.4
95.08612	1.2
97.02885	4.2
97.06522	1.2
99.04452	5.5
101.06016	11.0
103.05473	0.9
104.06274	2.5
105.07033	3.0
107.08610	1.3
108.07510	0.8
109.02896	3.0
109.06557	1.3
115.03913	4.2
115.05441	3.5
115.07532	1.0
117.07033	3.0
119.04945	13.7
119.05807	1.5
119.08571	6.5
120.05297	0.8
121.06469	5.7
121.10130	1.8
127.03910	4.8
129.06996	1.6
131.04865	1.2
132.04712	2.1
132.05711	35.9
133.06378	1.0
134.07285	2.2
135.07968	1.0
143.04904	1.4
145.06548	1.0
147.08040	17.4
147.56519	0.9
149.05978	3.1
149.09634	1.1
153.05444	1.3
160.05214	3.7
161.05902	1.5
163.03999	1.2
164.08380	1.6
175.07530	9.8
176.08286	1.2
177.05475	2.4
179.10678	13.7
189.08891	1.2
192.07799	3.2
195.06505	2.7
197.05998	1.5
207.10162	100.0
208.10522	4.3
211.07527	1.8
213.05542	1.8
219.08092	1.1
223.07559	1.9
225.05486	1.7
225.09288	1.3
225.11200	6.5
227.07045	1.9
227.09116	3.6
228.04173	1.2
229.04956	1.2
233.05879	1.2
235.07574	1.4
236.08371	1.1
237.09064	2.2
239.03426	2.2
239.07024	3.0
240.04214	3.2
241.05037	2.1
241.08662	1.3
242.05649	1.3
243.06519	1.7
245.10196	11.1
247.07541	2.1
249.05453	2.0
249.09103	2.3
250.06165	1.6
251.06937	5.0
252.07967	1.2
253.04915	3.4
253.08685	2.3
254.05763	3.1
254.09354	1.8
255.06497	3.3
257.04669	1.0
257.08017	2.7
263.06989	3.0
264.07785	3.1
265.08572	5.6
266.05908	1.1
266.09427	2.1
267.06503	3.7
267.10065	1.6
268.07205	2.5
269.04443	1.3
269.08002	3.0
270.05234	2.1
271.05984	2.7
273.07617	1.3
275.09283	1.5
276.07788	1.0
277.08600	1.8
278.05777	2.0
278.09183	1.4
279.06467	4.5
279.10147	2.6
280.07394	1.6
281.04419	1.0
281.08124	4.3
282.05374	2.2
282.08896	3.0
283.06030	2.9
283.09686	4.9
284.06610	1.3
285.07547	13.1
286.04715	2.8
287.05356	2.1
291.06540	1.5
292.07285	1.7
293.08109	6.2
293.79202	1.1
294.08762	4.0
295.06241	1.7
295.09683	2.6
296.06686	2.8
296.10208	1.5
297.08057	1.2
297.11230	4.1
298.04807	1.2
299.05511	3.9
299.08804	2.1
300.09799	1.3
301.07120	9.4
303.08728	3.2
305.08002	1.5
307.09479	2.2
309.07559	4.2
309.10992	2.0
310.08286	3.8
311.09174	12.3
312.09698	1.7
313.07062	4.7
313.10651	2.5
314.07782	7.6
314.11115	1.3
315.08768	4.5
316.09308	2.8
320.06696	1.2
321.07816	5.4
322.08292	2.2
323.05542	1.6
323.09039	1.6
324.10025	1.4
325.10678	9.4
326.11307	1.9
327.08560	3.0
328.09360	6.7
329.10086	2.5
330.10965	4.4
331.07999	1.8
331.11563	1.4
335.09070	3.5
336.09900	4.4
337.07037	2.1
337.10727	4.7
338.07642	1.8
339.08618	1.6
339.12302	2.2
341.10141	6.3
342.10846	2.2
343.11746	8.3
349.10794	1.9
352.09521	2.6
353.10123	7.8
354.10712	3.2
355.11737	3.5
357.13321	49.2
358.13824	4.2
367.11801	17.4
368.12238	1.6
373.12897	2.4
385.12817	33.6
386.13165	3.4
403.13675	1.8
431.31079	1.4
455.17026	1.8
485.17801	3.9
547.18146	3.0
608.43188	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01878	1.6
55.05514	48.8
57.03426	2.9
59.04994	2.9
61.02927	1.3
69.03389	6.7
69.03774	8.1
69.82333	0.8
71.05009	1.3
72.96764	0.9
75.04476	1.4
79.05502	2.1
81.03410	4.9
81.07069	1.1
83.04982	93.0
84.05326	1.7
85.02898	11.7
85.06489	0.9
87.04463	4.3
91.05474	6.1
93.07030	4.4
95.08612	1.2
97.02885	4.2
97.06522	1.2
99.04452	5.5
101.06016	11.0
103.05473	0.9
104.06274	2.5
105.07033	3.0
107.08610	1.3
108.07510	0.8
109.02896	3.0
109.06557	1.3
115.03913	4.2
115.05441	3.5
115.07532	1.0
117.07033	3.0
119.04945	13.7
119.05807	1.5
119.08571	6.5
120.05297	0.8
121.06469	5.7
121.10130	1.8
127.03910	4.8
129.06996	1.6
131.04865	1.2
132.04712	2.1
132.05711	35.9
133.06378	1.0
134.07285	2.2
135.07968	1.0
143.04904	1.4
145.06548	1.0
147.08040	17.4
147.56519	0.9
149.05978	3.1
149.09634	1.1
153.05444	1.3
160.05214	3.7
161.05902	1.5
163.03999	1.2
164.08380	1.6
175.07530	9.8
176.08286	1.2
177.05475	2.4
179.10678	13.7
189.08891	1.2
192.07799	3.2
195.06505	2.7
197.05998	1.5
207.10162	100.0
208.10522	4.3
211.07527	1.8
213.05542	1.8
219.08092	1.1
223.07559	1.9
225.05486	1.7
225.09288	1.3
225.11200	6.5
227.07045	1.9
227.09116	3.6
228.04173	1.2
229.04956	1.2
233.05879	1.2
235.07574	1.4
236.08371	1.1
237.09064	2.2
239.03426	2.2
239.07024	3.0
240.04214	3.2
241.05037	2.1
241.08662	1.3
242.05649	1.3
243.06519	1.7
245.10196	11.1
247.07541	2.1
249.05453	2.0
249.09103	2.3
250.06165	1.6
251.06937	5.0
252.07967	1.2
253.04915	3.4
253.08685	2.3
254.05763	3.1
254.09354	1.8
255.06497	3.3
257.04669	1.0
257.08017	2.7
263.06989	3.0
264.07785	3.1
265.08572	5.6
266.05908	1.1
266.09427	2.1
267.06503	3.7
267.10065	1.6
268.07205	2.5
269.04443	1.3
269.08002	3.0
270.05234	2.1
271.05984	2.7
273.07617	1.3
275.09283	1.5
276.07788	1.0
277.08600	1.8
278.05777	2.0
278.09183	1.4
279.06467	4.5
279.10147	2.6
280.07394	1.6
281.04419	1.0
281.08124	4.3
282.05374	2.2
282.08896	3.0
283.06030	2.9
283.09686	4.9
284.06610	1.3
285.07547	13.1
286.04715	2.8
287.05356	2.1
291.06540	1.5
292.07285	1.7
293.08109	6.2
293.79202	1.1
294.08762	4.0
295.06241	1.7
295.09683	2.6
296.06686	2.8
296.10208	1.5
297.08057	1.2
297.11230	4.1
298.04807	1.2
299.05511	3.9
299.08804	2.1
300.09799	1.3
301.07120	9.4
303.08728	3.2
305.08002	1.5
307.09479	2.2
309.07559	4.2
309.10992	2.0
310.08286	3.8
311.09174	12.3
312.09698	1.7
313.07062	4.7
313.10651	2.5
314.07782	7.6
314.11115	1.3
315.08768	4.5
316.09308	2.8
320.06696	1.2
321.07816	5.4
322.08292	2.2
323.05542	1.6
323.09039	1.6
324.10025	1.4
325.10678	9.4
326.11307	1.9
327.08560	3.0
328.09360	6.7
329.10086	2.5
330.10965	4.4
331.07999	1.8
331.11563	1.4
335.09070	3.5
336.09900	4.4
337.07037	2.1
337.10727	4.7
338.07642	1.8
339.08618	1.6
339.12302	2.2
341.10141	6.3
342.10846	2.2
343.11746	8.3
349.10794	1.9
352.09521	2.6
353.10123	7.8
354.10712	3.2
355.11737	3.5
357.13321	49.2
358.13824	4.2
367.11801	17.4
368.12238	1.6
373.12897	2.4
385.12817	33.6
386.13165	3.4
403.13675	1.8
431.31079	1.4
455.17026	1.8
485.17801	3.9
547.18146	3.0
608.43188	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.2
57.10756	2.3
64.67991	1.8
67.05508	5.5
69.07079	4.4
71.08684	2.1
79.05476	4.0
81.07070	9.6
91.05495	5.0
93.07069	6.1
95.08630	6.3
97.10211	2.3
98.22972	13.9
105.07053	6.5
107.08630	5.1
109.10186	4.1
117.33023	2.1
117.33836	1.9
119.08604	3.8
121.10144	4.2
123.08060	2.6
133.10152	2.8
145.10181	5.9
147.11739	3.0
157.10120	3.5
159.11647	3.1
161.13264	3.1
224.41928	2.3
289.02881	2.4
298.90436	2.1
355.15820	3.0
356.15894	2.5
425.13712	12.8
647.29803	100.0
647.43469	7.3
648.30194	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08329	1.4
55.05519	1.9
57.07077	4.2
67.05508	1.6
71.08634	2.5
71.29420	1.1
71.29913	2.2
81.07062	2.1
82.24059	1.4
86.73947	1.3
95.08534	1.4
99.07006	1.4
167.86569	1.5
170.31874	1.2
171.10345	1.4
181.24913	1.4
237.02654	1.3
254.75156	1.5
335.21777	9.7
362.55258	1.3
391.24670	4.6
492.28107	1.3
647.48547	100.0
648.48639	11.1
652.39343	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
56.05034	1.2
58.78801	0.7
65.03949	1.0
67.05499	2.7
68.99780	3.8
69.03431	1.2
69.52096	0.8
70.06593	16.1
70.45288	2.4
79.05485	1.4
81.07043	1.3
91.05505	2.5
93.03411	1.4
95.04966	10.1
97.02881	0.8
103.05489	1.2
105.03414	2.0
105.07028	1.2
107.04968	2.7
109.06512	1.3
111.04449	1.8
115.05477	1.7
117.03411	0.8
117.07032	2.5
119.04951	3.7
121.02902	1.9
121.06459	1.0
123.04429	50.1
124.04729	1.3
125.02346	0.9
127.03957	1.6
128.06184	1.0
129.07028	1.3
131.04878	1.3
133.06526	2.9
135.04411	36.9
135.08054	1.0
136.04791	1.1
136.07582	2.4
137.02348	3.7
137.05986	4.7
138.05521	3.2
139.03896	27.8
141.06985	0.8
143.04984	0.9
144.08115	1.2
145.06506	3.3
147.04440	6.7
149.06018	2.7
151.03917	10.1
151.07512	3.8
153.01797	1.2
153.05476	2.6
155.70392	0.9
157.06519	1.6
159.04439	1.6
161.05992	12.6
163.03900	37.5
163.07495	4.4
164.04230	0.9
165.05621	1.2
165.06894	0.9
166.74142	0.9
167.03357	1.0
167.07114	1.5
171.02914	0.9
171.08000	1.1
173.05914	6.1
175.03926	2.6
175.07581	2.7
177.05473	4.2
178.08705	2.4
179.03534	2.6
179.07024	42.8
180.07399	1.6
185.06015	3.5
187.03964	2.1
187.07419	1.4
188.07071	4.4
189.05505	1.7
190.08617	5.5
191.03391	2.4
191.07028	9.3
193.05020	1.6
196.09703	18.0
196.11398	1.5
197.06007	2.1
201.05473	4.9
203.03433	3.5
203.06964	3.9
203.08684	1.0
207.06442	1.0
207.08147	1.4
208.09720	3.9
211.07558	1.3
213.05507	3.1
215.03481	1.0
215.06952	2.1
219.06522	2.3
221.08049	1.3
225.09195	0.9
227.07135	2.2
229.04904	1.3
235.07599	1.7
237.05542	1.1
238.10779	2.9
239.07010	1.1
241.04982	1.9
241.08562	1.5
243.06622	1.2
245.04550	1.2
249.09230	0.9
251.07109	1.6
253.05020	3.4
253.08647	3.7
255.06454	6.4
257.04544	2.4
257.08063	1.8
259.05960	5.2
263.06961	1.4
266.05807	2.6
267.06558	2.4
267.10019	0.9
269.04568	3.3
269.08191	2.5
271.06064	2.0
271.09851	0.9
273.07645	2.3
277.08673	1.4
279.06674	3.4
281.04810	1.4
281.08035	12.0
283.05975	9.9
283.08936	1.4
284.06937	1.4
285.07666	2.4
287.09222	1.4
291.06555	2.6
293.08038	1.0
294.05347	2.5
295.05984	2.5
295.09741	4.1
296.09229	1.8
297.07504	10.5
298.10779	6.6
299.09091	14.6
301.06943	3.9
303.08801	1.6
305.08075	1.8
308.09183	17.4
309.07526	47.5
310.08109	4.1
311.09201	3.8
313.07117	1.1
313.10843	2.5
316.11765	28.8
316.15244	1.7
317.12219	1.5
321.07773	1.8
322.10773	4.3
323.09058	8.6
326.10208	37.8
327.10812	2.2
328.11896	2.1
338.10193	1.7
339.08548	8.7
340.11816	6.3
341.10175	5.9
351.08698	1.2
356.11398	1.2
358.12875	25.4
359.13245	2.1
411.10956	1.8
449.12262	1.1
460.14087	2.1
461.12292	8.6
478.14978	45.5
479.14914	3.9
496.15915	3.6
630.19940	2.0
631.17883	1.2
648.20721	100.0
649.21008	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.7
57.38512	0.8
65.03931	1.3
67.05499	2.3
68.99802	2.5
69.03429	1.0
70.06588	11.7
70.63997	1.6
74.34037	1.0
79.05505	1.0
81.03445	0.9
81.07049	1.5
91.05485	1.9
93.03411	1.7
95.04956	6.7
98.58935	0.9
105.03384	1.2
105.06998	1.4
107.04965	2.6
109.06543	1.4
110.06051	1.0
111.04463	1.4
115.05468	1.8
117.03443	1.2
117.06999	1.8
119.04942	1.6
123.04419	34.4
127.03896	1.0
131.04953	1.5
133.06494	3.5
135.04414	23.5
135.05382	1.5
136.07600	2.4
137.02344	1.6
137.05948	4.7
138.05513	1.9
139.03882	20.0
143.04897	1.5
145.06435	2.0
147.04390	7.4
149.05989	2.6
151.03900	8.6
151.07573	3.8
153.01823	1.6
153.05501	2.1
157.06554	2.0
157.51881	0.9
159.04485	2.0
161.05984	9.7
163.03897	29.3
163.07567	3.1
164.04237	1.4
165.05537	2.1
165.06906	0.8
167.03435	1.1
167.07120	1.9
167.10944	1.0
171.02858	1.4
173.05998	4.5
175.03966	2.8
175.07558	1.9
177.05490	3.5
178.08675	2.7
179.03448	1.4
179.07040	34.2
180.07394	2.0
185.06030	2.9
187.03946	1.7
188.07098	3.6
189.05479	1.8
190.08665	3.9
191.03383	2.7
191.07004	6.5
193.05013	1.9
196.09702	11.4
196.11375	1.0
197.06012	1.9
201.05492	3.3
203.03442	2.6
203.07053	3.3
207.08057	1.1
208.09680	3.8
213.05492	2.9
215.37421	1.0
217.04819	0.9
219.06563	1.5
221.08144	1.1
221.71812	1.1
225.05338	1.1
227.07079	1.5
229.05121	1.2
235.07571	1.6
236.09380	1.1
238.10686	2.7
239.06943	1.5
241.04984	1.5
241.08626	1.1
243.06520	1.8
245.04701	0.9
246.39955	0.9
247.06129	0.9
249.09279	1.0
251.06909	0.9
253.04962	1.2
253.08699	2.6
255.06517	7.4
257.04526	2.1
257.08069	1.6
259.05820	4.2
263.06985	1.4
265.04953	1.2
267.06339	1.6
267.10214	0.8
269.04456	2.0
269.07962	2.0
271.06042	2.8
271.09583	1.6
273.07690	1.5
277.08511	1.3
279.06598	2.2
281.08072	10.5
282.08490	1.3
283.05954	7.5
285.07449	4.2
291.06610	1.1
293.08020	1.6
294.05176	1.8
295.06390	1.5
295.09698	3.9
297.07520	7.7
298.10782	5.2
299.09064	10.0
300.09354	1.1
301.07181	3.0
303.08771	1.4
305.08075	1.8
308.09134	13.8
309.07501	41.3
310.08105	3.3
311.05679	1.1
311.09271	2.4
313.10535	1.4
316.11783	25.7
317.12042	1.6
322.10800	2.9
323.09113	5.4
326.10226	31.7
327.10977	1.8
328.11877	1.6
339.08652	6.9
340.11813	4.8
341.09900	4.4
358.12805	26.1
359.13095	2.2
363.25931	0.9
409.09189	1.2
411.10696	1.7
424.03693	0.9
435.11276	0.9
460.13763	2.4
461.12280	5.4
462.12244	1.2
478.14908	36.2
479.15018	2.5
496.16144	3.1
508.16159	1.1
511.63889	1.0
630.19366	2.1
631.18140	1.4
648.20691	100.0
649.21063	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
54.59578	1.0
55.05509	82.1
56.05857	1.2
57.07071	1.7
67.05501	1.4
69.25091	5.9
69.25496	1.8
79.05590	1.1
81.03462	1.0
81.07040	2.2
83.04977	100.0
93.01324	1.0
93.07065	1.6
97.06519	1.3
105.03384	1.8
105.07030	2.1
106.34250	0.9
107.65191	1.1
112.26436	1.3
119.08607	1.3
165.07025	1.9
167.08577	1.4
175.03819	1.8
177.18643	1.3
179.08540	1.8
181.06458	1.2
189.01785	4.9
195.07965	1.9
205.08511	1.6
207.08110	3.4
209.05977	1.3
213.05475	2.3
217.01326	3.9
223.07561	4.5
225.09045	1.6
227.03363	2.8
227.07083	5.4
228.04057	1.2
228.07712	1.2
229.04991	1.7
233.05972	1.8
235.07527	5.3
237.05508	3.6
238.06154	2.1
239.06992	5.9
240.07788	2.1
241.08542	2.1
243.06477	4.2
247.02496	1.1
247.09720	1.7
249.05457	2.7
251.07019	6.6
253.04936	4.0
253.08514	5.4
254.05357	1.3
255.03062	1.3
255.06429	1.6
255.10161	2.6
257.04419	2.1
263.07141	5.1
264.07779	2.2
265.04941	2.0
265.08527	8.9
265.10895	2.4
266.05783	3.8
266.09100	1.3
267.06497	11.2
268.07120	1.7
269.08051	2.6
270.05267	2.8
271.05920	1.5
277.04880	1.9
279.06500	6.8
280.03772	1.5
280.07114	1.5
281.04459	3.6
281.08023	23.7
282.08704	3.7
283.02750	1.3
283.09521	3.4
285.07687	1.4
291.06506	7.8
292.07199	2.6
293.04599	1.7
293.07993	10.8
294.05130	4.9
294.08353	1.8
295.05972	12.4
296.06592	1.9
297.03839	1.3
297.07422	1.6
299.09195	2.4
307.05988	1.5
308.06760	1.3
309.03979	2.3
309.07516	33.3
310.08176	3.8
311.09048	6.7
313.07123	2.2
313.10519	2.2
315.04901	3.5
319.05884	8.2
320.06555	2.0
321.07370	1.9
322.04697	1.6
323.05374	2.2
323.09024	3.7
325.03528	3.6
325.10663	6.6
327.08658	4.6
335.09109	1.9
337.07056	34.0
338.07382	3.3
341.10193	5.0
347.05347	1.5
350.11545	2.2
351.08557	9.6
353.10153	3.5
355.08133	4.7
365.06476	8.0
369.09665	89.1
370.10059	6.8
371.07730	4.7
379.08038	7.6
381.13211	8.2
383.11578	1.5
393.13208	2.3
397.09192	25.1
411.10837	1.7
415.10065	4.3
429.11713	13.9
548.66565	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.28
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.7
53.03750	0.8
53.03950	10.3
54.04276	1.6
55.05513	64.2
56.05845	1.5
56.19339	0.9
59.05000	1.5
67.05495	0.9
68.11156	1.0
69.16837	3.9
69.17260	3.4
73.06563	0.9
75.04465	1.7
77.03909	1.9
81.03416	1.7
83.04982	100.0
84.05305	1.5
85.69881	0.9
91.05475	2.0
93.07039	1.1
95.04964	10.7
96.05288	2.1
98.22897	3.6
99.04469	1.0
105.03393	96.0
105.04527	5.1
106.03722	20.7
106.04829	1.1
123.31380	0.9
125.06026	0.9
151.07521	2.6
175.03873	1.2
179.07062	4.4
179.08446	1.2
180.07344	1.7
197.02325	1.8
204.09320	1.3
215.07083	1.0
221.09592	1.2
225.09117	1.2
226.06337	0.9
227.07077	5.8
231.07971	1.0
233.09618	1.2
234.10445	0.8
235.11015	1.8
237.05409	0.9
241.08568	1.2
248.08281	3.0
249.09079	2.5
250.09688	1.1
251.07068	1.6
253.01289	2.1
253.04843	1.2
253.08392	1.9
254.09383	1.3
255.06381	1.6
261.09018	1.2
263.07013	4.0
263.10605	4.3
264.07663	1.4
264.11157	1.2
265.05161	1.3
265.08536	4.2
266.05640	3.4
266.08713	1.4
267.03021	1.4
267.06470	2.7
267.09695	1.3
268.03552	1.5
269.04382	2.4
275.07083	1.0
276.07822	2.6
277.08459	2.6
278.06253	0.8
278.09250	3.5
279.06720	1.9
279.10202	3.2
280.07306	1.5
280.10739	1.7
281.08044	6.0
281.11227	1.6
283.09494	2.3
289.08667	1.9
290.09229	2.2
291.06439	3.8
291.10052	5.0
292.10739	1.9
293.08032	4.3
293.11279	1.5
294.05209	2.4
294.08673	2.9
295.06033	2.3
295.09671	3.9
295.13193	2.3
296.03052	1.4
296.06470	1.1
296.09839	2.0
297.04272	1.6
297.07602	1.8
298.04739	2.6
299.05182	1.3
304.07144	1.2
305.08179	1.9
306.08707	5.3
307.09442	5.9
308.10327	3.0
309.07556	6.7
309.10901	2.3
310.08228	7.4
311.05472	7.8
311.08972	3.4
311.12601	1.5
313.06992	7.1
313.10565	1.5
314.07339	3.1
317.08362	1.0
318.08578	1.0
319.09613	2.5
320.06430	1.3
321.07761	1.3
321.11136	12.1
322.11716	4.1
323.09042	4.0
323.12769	5.4
324.09778	1.4
324.13138	1.3
325.06979	2.7
325.10547	2.0
326.07663	1.3
334.08279	1.4
335.08945	3.0
338.11353	3.7
339.08340	1.6
339.12128	2.3
340.09341	1.0
341.10175	10.6
342.10364	1.6
349.10770	5.6
350.11261	6.4
351.08710	1.8
351.12109	5.7
352.08960	1.4
352.12711	1.2
353.13824	40.0
354.14325	6.3
366.10785	2.6
367.11337	1.7
369.13293	10.1
381.13330	55.5
382.13681	24.3
383.14145	1.7
399.14294	11.3
400.14700	1.6
453.19016	3.9
481.18448	2.9
504.17307	1.0
648.19165	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.28
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.7
53.03750	0.8
53.03950	10.3
54.04276	1.6
55.05513	64.2
56.05845	1.5
56.19339	0.9
59.05000	1.5
67.05495	0.9
68.11156	1.0
69.16837	3.9
69.17260	3.4
73.06563	0.9
75.04465	1.7
77.03909	1.9
81.03416	1.7
83.04982	100.0
84.05305	1.5
85.69881	0.9
91.05475	2.0
93.07039	1.1
95.04964	10.7
96.05288	2.1
98.22897	3.6
99.04469	1.0
105.03393	96.0
105.04527	5.1
106.03722	20.7
106.04829	1.1
123.31380	0.9
125.06026	0.9
151.07521	2.6
175.03873	1.2
179.07062	4.4
179.08446	1.2
180.07344	1.7
197.02325	1.8
204.09320	1.3
215.07083	1.0
221.09592	1.2
225.09117	1.2
226.06337	0.9
227.07077	5.8
231.07971	1.0
233.09618	1.2
234.10445	0.8
235.11015	1.8
237.05409	0.9
241.08568	1.2
248.08281	3.0
249.09079	2.5
250.09688	1.1
251.07068	1.6
253.01289	2.1
253.04843	1.2
253.08392	1.9
254.09383	1.3
255.06381	1.6
261.09018	1.2
263.07013	4.0
263.10605	4.3
264.07663	1.4
264.11157	1.2
265.05161	1.3
265.08536	4.2
266.05640	3.4
266.08713	1.4
267.03021	1.4
267.06470	2.7
267.09695	1.3
268.03552	1.5
269.04382	2.4
275.07083	1.0
276.07822	2.6
277.08459	2.6
278.06253	0.8
278.09250	3.5
279.06720	1.9
279.10202	3.2
280.07306	1.5
280.10739	1.7
281.08044	6.0
281.11227	1.6
283.09494	2.3
289.08667	1.9
290.09229	2.2
291.06439	3.8
291.10052	5.0
292.10739	1.9
293.08032	4.3
293.11279	1.5
294.05209	2.4
294.08673	2.9
295.06033	2.3
295.09671	3.9
295.13193	2.3
296.03052	1.4
296.06470	1.1
296.09839	2.0
297.04272	1.6
297.07602	1.8
298.04739	2.6
299.05182	1.3
304.07144	1.2
305.08179	1.9
306.08707	5.3
307.09442	5.9
308.10327	3.0
309.07556	6.7
309.10901	2.3
310.08228	7.4
311.05472	7.8
311.08972	3.4
311.12601	1.5
313.06992	7.1
313.10565	1.5
314.07339	3.1
317.08362	1.0
318.08578	1.0
319.09613	2.5
320.06430	1.3
321.07761	1.3
321.11136	12.1
322.11716	4.1
323.09042	4.0
323.12769	5.4
324.09778	1.4
324.13138	1.3
325.06979	2.7
325.10547	2.0
326.07663	1.3
334.08279	1.4
335.08945	3.0
338.11353	3.7
339.08340	1.6
339.12128	2.3
340.09341	1.0
341.10175	10.6
342.10364	1.6
349.10770	5.6
350.11261	6.4
351.08710	1.8
351.12109	5.7
352.08960	1.4
352.12711	1.2
353.13824	40.0
354.14325	6.3
366.10785	2.6
367.11337	1.7
369.13293	10.1
381.13330	55.5
382.13681	24.3
383.14145	1.7
399.14294	11.3
400.14700	1.6
453.19016	3.9
481.18448	2.9
504.17307	1.0
648.19165	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.6
51.02377	1.3
53.03946	6.8
55.05508	1.1
57.07083	0.4
58.36089	0.4
58.92039	0.3
59.04970	0.4
67.05493	0.4
71.08620	0.5
73.06554	0.8
75.04480	0.8
76.53618	0.4
77.03919	1.2
79.05502	0.4
81.03412	0.6
81.07077	0.6
82.30454	0.4
83.04984	1.3
87.04462	0.4
87.98223	0.4
90.45914	0.4
91.05482	0.7
95.04966	7.0
105.03388	100.0
105.04533	4.6
106.03714	3.4
107.08588	0.4
109.32255	0.4
123.08169	0.4
155.07043	0.5
175.03842	0.5
184.07224	0.7
192.09409	0.4
197.02347	1.0
210.06754	0.5
221.09589	0.6
225.09142	1.3
227.07100	2.3
233.09540	0.6
235.07539	0.6
235.11229	0.6
239.07170	0.6
248.08350	1.1
249.09224	0.7
250.06175	0.7
250.09837	0.5
251.07036	0.6
252.07756	0.5
253.01311	1.0
253.04921	0.4
253.08574	1.1
261.09061	0.8
263.07108	1.6
263.10641	1.2
264.07794	0.7
265.04861	0.8
265.08640	0.8
266.05725	1.3
267.03021	0.7
267.06287	0.7
268.03632	0.7
268.07352	0.5
269.04611	0.4
277.08585	1.5
278.09229	1.0
279.06650	0.8
279.10098	1.6
280.07330	0.5
281.08105	4.4
282.08624	0.5
283.09558	0.8
289.08551	0.9
290.09250	0.5
291.06494	1.4
291.10104	1.3
293.07990	1.3
293.11142	0.5
294.08588	0.6
295.06110	1.0
295.09583	1.5
295.13092	1.0
296.03290	0.9
297.03738	0.8
297.07544	0.4
299.09027	0.5
305.08261	0.5
306.08731	3.1
307.09607	1.9
308.10394	1.1
309.07617	1.8
310.08249	2.5
311.05487	3.8
311.08997	1.2
312.06006	0.5
312.09879	0.4
313.07065	1.1
313.10529	0.4
317.08014	0.9
319.06155	0.5
321.07773	0.7
321.11166	3.5
322.11658	0.9
323.09052	1.2
323.12762	2.1
325.07092	1.1
325.14255	0.9
334.08258	0.6
335.09116	0.9
337.10461	0.7
338.11584	1.1
339.08612	0.6
341.10129	4.5
343.11899	2.2
349.10721	1.4
351.12170	1.8
352.13156	0.6
353.13837	16.8
354.14386	1.5
369.13275	3.8
377.80524	0.4
381.13312	19.2
382.13464	1.6
383.14868	1.4
405.13303	0.8
475.17441	1.7
503.16809	1.3
505.61914	0.4
527.16608	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17915	4.4
55.05508	81.9
62.98240	5.3
69.03418	7.1
71.31898	7.4
79.05479	5.0
81.07056	28.0
83.04984	100.0
91.05473	6.6
95.04939	12.5
95.08581	8.3
105.07024	8.8
109.06519	18.9
117.07034	4.8
119.08624	5.2
123.08099	9.3
129.07065	5.7
131.08574	7.2
137.05957	52.8
139.07590	5.6
147.08040	10.1
155.08568	6.9
163.07628	8.7
171.08018	5.8
185.09528	5.8
199.07518	9.2
201.09117	5.8
205.78603	5.4
213.09093	6.0
237.08989	6.0
249.09146	5.3
291.13632	8.0
307.13306	6.5
309.14792	8.0
319.13275	8.2
337.14386	10.4
360.87909	6.4
379.15216	6.4
389.17477	9.3
407.18420	16.9
417.16898	14.6
425.19485	11.4
435.18018	89.5
436.18149	10.4
451.20984	14.0
453.19104	53.6
454.19580	7.1
471.20084	16.5
477.19135	37.3
495.20071	60.4
496.20236	8.6
513.20935	15.4
642.17554	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	80.7
60.18148	11.1
62.64242	10.8
69.06985	100.0
81.07058	34.4
83.04967	98.7
109.06514	21.1
122.93436	10.5
123.08095	14.3
137.05991	48.7
143.08524	12.3
168.14435	10.8
241.77847	10.6
261.12808	13.7
367.15430	16.7
435.18234	75.1
453.19250	51.8
471.20291	13.9
477.18860	23.0
495.20132	58.4
513.21124	24.6
595.25354	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
55.05514	90.2
56.05857	2.3
63.69489	1.6
67.05509	2.8
69.03431	22.2
69.07074	2.1
69.08583	15.3
71.04977	1.7
79.05480	5.1
81.07057	11.3
83.04983	100.0
84.05305	3.0
85.02908	3.9
87.04471	2.6
91.05492	6.6
93.07034	4.8
95.04972	4.2
95.08576	8.4
97.06531	3.2
98.22582	2.4
99.04481	2.0
105.07034	6.3
107.04948	3.5
107.08578	3.2
109.06516	14.8
114.17374	1.7
115.05410	2.1
117.07038	2.5
119.04881	1.9
119.08582	4.5
121.06490	5.7
123.08073	10.3
128.06187	2.4
129.06993	3.1
131.08513	2.7
133.06509	3.5
133.10086	2.1
135.08047	3.1
137.05983	18.1
139.07556	5.5
141.06979	2.4
143.08553	4.2
145.06529	5.7
145.10147	2.8
147.08061	5.3
151.07535	3.0
153.06969	1.8
155.07031	4.5
155.08466	4.3
157.06496	2.2
157.10106	2.6
158.07228	2.0
158.78255	1.6
159.07985	5.1
161.06029	4.4
161.09615	2.8
163.07520	3.8
165.06923	3.0
165.09058	2.1
167.08534	4.9
169.06506	2.9
169.10117	3.6
171.08041	6.1
173.05923	2.3
173.09512	4.0
175.07567	3.8
177.09131	3.1
179.07115	2.2
179.08551	2.5
181.06525	2.7
181.10063	2.7
183.07990	2.6
183.11732	2.5
185.05975	2.8
185.09663	5.5
187.03688	2.4
187.07622	2.2
187.11142	2.8
189.09207	2.3
192.09424	2.3
193.08612	3.0
193.10168	6.8
195.08046	5.1
195.11801	2.0
197.05994	2.4
197.09630	7.3
199.07637	6.0
201.09006	3.2
203.08633	2.4
204.09319	2.6
207.08138	2.4
207.11823	2.3
209.09619	6.3
211.07547	2.1
211.11337	2.7
213.09064	6.3
215.07016	2.3
215.10678	5.1
221.09683	2.6
223.07431	1.8
223.11247	4.2
225.09015	3.7
227.10701	2.2
233.09697	2.5
233.13324	2.7
235.11209	4.8
237.09085	4.3
237.12737	3.3
239.10619	3.1
241.08507	2.2
243.11852	2.5
245.09703	3.2
246.10530	2.5
247.11217	2.7
249.09085	4.4
249.12804	3.2
251.10703	6.1
251.14270	4.7
253.12308	4.5
253.15903	2.0
261.12781	6.9
263.14462	3.7
265.12247	4.1
265.15927	2.2
271.11160	2.1
275.10602	2.5
275.14325	2.0
277.12439	1.7
279.10611	2.8
279.13809	15.6
281.11920	2.3
281.15292	4.2
283.09760	1.9
285.12717	1.9
287.10529	1.8
289.12247	4.9
291.13797	2.5
295.13275	2.8
297.11292	2.1
297.14838	2.1
303.13806	4.3
307.13190	14.9
321.14841	7.2
323.12772	2.0
323.16403	2.4
325.14325	23.8
326.14438	1.8
339.15991	5.6
341.14108	2.7
343.16464	1.8
349.14362	4.3
361.18097	3.6
363.15897	4.9
367.15390	23.5
371.16409	3.5
381.17065	4.4
385.16446	18.3
386.16595	2.0
389.17468	10.0
391.14917	2.4
393.17038	3.5
399.16211	1.8
407.18661	8.8
417.16974	19.8
418.17145	2.8
425.19342	2.2
431.18350	2.6
433.19913	4.9
435.18091	44.0
436.18127	4.7
449.19708	13.4
451.20877	4.6
453.19067	42.1
459.17923	5.0
467.20688	10.5
469.22235	2.5
471.20160	10.0
477.19043	23.8
485.21710	39.4
486.21661	4.0
489.20847	3.3
495.20120	44.6
496.20294	3.4
513.21204	32.2
514.21539	3.7
531.22144	4.1
595.25171	9.1
596.25720	2.1
613.26367	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.8
54.74840	1.5
55.05505	2.2
57.03423	1.9
58.07069	1.4
59.13751	1.2
60.56384	1.8
67.05503	5.0
69.03430	5.6
69.07048	1.5
69.10747	12.6
71.05007	1.9
79.05486	5.3
81.07058	25.6
83.04989	2.3
91.05460	8.1
91.23943	1.5
93.07059	4.9
95.05003	7.8
95.08612	11.2
97.02903	4.9
97.06566	1.8
99.04462	3.0
105.07045	6.1
107.08585	5.0
109.06521	19.4
111.04431	1.6
111.08067	2.1
115.05535	2.2
117.07022	2.6
119.04903	1.5
119.08587	6.2
121.06506	3.2
121.10110	1.8
123.08073	11.8
128.06229	3.8
129.07001	3.7
130.85677	1.6
131.08566	4.0
133.06474	5.3
133.10138	2.7
135.04463	1.7
135.08052	3.4
137.05972	31.6
138.06294	1.9
139.07495	1.6
141.06995	3.1
143.08580	7.0
145.06483	18.1
145.10100	2.5
147.08014	6.3
149.05942	3.1
149.87357	1.6
151.07564	5.1
153.05513	1.7
153.06967	1.6
155.07095	1.8
155.08559	5.3
157.06467	4.2
157.10146	3.2
159.08104	5.6
161.05920	2.4
161.09642	2.2
163.07562	3.3
165.06989	2.4
166.07764	2.2
167.08549	3.6
169.06482	3.2
169.10146	1.6
171.08015	13.5
173.06052	2.0
173.09633	4.0
175.07605	2.2
178.07822	3.8
179.08546	5.7
180.09311	1.8
181.06500	2.4
181.10127	3.6
182.07234	1.5
183.08008	10.8
183.11716	2.4
184.07307	1.9
185.05965	3.1
185.09634	5.2
187.07506	3.3
187.83357	1.4
189.09134	2.8
191.08624	2.4
192.09381	4.3
193.10191	4.1
195.08118	7.4
195.11702	2.1
196.08832	3.4
197.09630	5.1
199.07568	3.1
199.11230	2.9
199.32495	1.4
202.07893	2.1
203.08670	3.4
205.10143	5.3
207.08014	2.2
207.11732	5.7
208.08775	2.3
209.09602	6.1
209.13284	1.6
210.10455	1.9
211.07513	3.7
211.11211	5.7
213.09113	1.5
215.08690	2.7
216.09390	2.2
217.10164	5.9
218.07281	1.6
218.10936	2.4
219.08081	3.3
219.11653	4.6
220.08867	4.0
221.09641	10.0
223.11206	7.3
225.09094	3.8
225.12804	3.0
229.10208	2.5
231.11723	3.1
232.08850	1.9
233.09605	9.7
233.13333	4.1
234.10289	3.6
235.11188	11.8
236.11942	3.8
237.08948	2.6
237.12813	7.3
239.10626	2.3
242.10960	2.4
243.10022	2.9
245.09656	8.0
246.10378	6.8
247.11221	5.7
247.14871	5.5
248.11986	2.2
249.09050	2.0
249.12891	6.7
251.10564	3.7
251.14330	5.2
253.12308	2.9
257.13345	4.9
259.11154	5.9
260.12064	5.6
261.09335	1.5
261.12714	10.5
263.10687	10.8
263.14224	3.3
263.81213	1.8
264.11438	3.3
265.12296	4.5
265.15891	3.4
267.10049	2.9
270.10486	2.2
273.12640	3.3
275.11194	2.2
275.14209	15.1
276.14587	2.2
277.12167	6.7
277.15720	3.1
279.10074	2.3
279.13815	2.9
281.11798	6.8
281.15320	2.9
285.12863	8.5
287.10440	2.6
287.14371	1.8
288.11536	2.2
289.12485	1.8
293.12119	2.3
293.15378	7.8
295.13208	1.9
299.12979	2.3
301.15692	2.4
303.13733	13.2
304.14398	2.1
305.11786	3.6
309.11246	2.4
309.14621	2.3
311.12549	2.1
313.15973	2.4
317.15439	3.2
320.17480	2.0
321.15057	7.1
331.13174	2.2
335.16327	3.3
341.14160	1.8
345.14865	3.9
353.17596	2.1
359.16422	2.5
363.15887	2.6
373.17889	9.6
375.19717	3.3
377.17715	2.6
381.16989	10.2
383.16406	4.3
391.18933	12.8
392.19168	1.8
401.12405	2.4
401.17502	42.7
402.17935	3.8
403.15393	4.3
409.20139	3.7
415.19144	3.3
417.20486	5.5
419.18503	100.0
420.18542	9.6
421.16632	3.6
435.21616	5.1
437.13687	2.4
437.19580	39.6
438.19971	3.6
443.18369	11.0
444.18384	1.9
451.21234	2.1
453.22705	2.1
455.20569	2.0
461.19574	37.2
462.19843	3.9
479.20590	37.7
480.20859	5.6
493.21921	2.2
497.21692	17.7
511.23260	1.9
535.23248	2.5
553.24146	5.1
575.78271	1.7
613.26215	3.6
665.99133	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.1
57.07067	0.8
64.14736	0.6
67.05495	1.4
69.03450	0.6
71.30231	0.8
79.05483	0.7
79.19249	0.5
80.80196	0.5
81.07070	1.1
83.04965	1.3
86.09701	0.8
91.05484	1.3
93.07038	1.3
95.04901	0.8
95.08611	0.9
102.05000	0.6
105.07011	1.8
107.08599	0.9
109.10151	0.8
119.08585	0.7
131.08566	1.0
145.10107	1.0
155.08575	0.9
157.10141	0.9
161.09581	0.7
183.08112	1.4
184.07361	2.3
188.13698	0.6
195.11684	0.9
199.14961	0.6
201.09154	1.7
202.09940	2.1
205.06419	0.7
210.06802	0.7
211.07524	1.1
220.08810	0.9
226.06256	0.8
227.07001	0.9
235.11278	2.9
236.08150	0.7
236.11926	1.0
237.08986	3.1
239.07018	1.3
240.08026	0.9
241.05013	1.1
247.07512	1.0
248.08325	2.1
249.09138	2.6
251.07199	0.6
251.10570	1.9
252.11441	1.6
253.08459	1.1
253.12428	0.8
254.09352	1.1
256.07361	1.5
261.09296	1.4
262.09909	1.0
263.10635	6.2
263.13168	0.9
264.07727	0.6
264.11404	3.1
265.08603	7.4
265.11539	0.9
266.09116	1.6
267.06396	0.7
267.13828	2.1
271.09619	1.0
277.08661	6.1
277.11688	0.9
278.09283	1.7
279.10135	1.7
280.10941	7.1
281.11703	2.5
282.08804	1.7
284.06973	1.1
285.07660	1.2
291.10184	1.7
292.10989	1.7
293.08063	2.3
293.11722	2.5
294.09018	0.8
294.12500	0.9
295.09827	1.1
295.13229	9.8
296.13861	2.0
297.11179	1.7
299.09106	1.7
307.09692	1.4
308.10461	1.7
309.11206	7.0
310.11673	1.0
313.10742	0.8
318.11038	0.7
323.12814	8.4
324.13464	8.0
325.10751	2.0
325.14203	1.5
327.15900	1.1
340.13058	3.8
341.13550	0.7
345.13446	0.7
355.15387	100.0
356.15897	14.2
357.16394	1.0
372.15961	0.6
372.47263	0.7
387.18005	20.3
387.29013	0.6
388.18414	2.2
481.65549	0.7
576.36090	0.7
607.89972	0.7
613.38715	1.5
648.44257	1.9
649.25378	1.2
649.43707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.1
57.07067	0.8
64.14736	0.6
67.05495	1.4
69.03450	0.6
71.30231	0.8
79.05483	0.7
79.19249	0.5
80.80196	0.5
81.07070	1.1
83.04965	1.3
86.09701	0.8
91.05484	1.3
93.07038	1.3
95.04901	0.8
95.08611	0.9
102.05000	0.6
105.07011	1.8
107.08599	0.9
109.10151	0.8
119.08585	0.7
131.08566	1.0
145.10107	1.0
155.08575	0.9
157.10141	0.9
161.09581	0.7
183.08112	1.4
184.07361	2.3
188.13698	0.6
195.11684	0.9
199.14961	0.6
201.09154	1.7
202.09940	2.1
205.06419	0.7
210.06802	0.7
211.07524	1.1
220.08810	0.9
226.06256	0.8
227.07001	0.9
235.11278	2.9
236.08150	0.7
236.11926	1.0
237.08986	3.1
239.07018	1.3
240.08026	0.9
241.05013	1.1
247.07512	1.0
248.08325	2.1
249.09138	2.6
251.07199	0.6
251.10570	1.9
252.11441	1.6
253.08459	1.1
253.12428	0.8
254.09352	1.1
256.07361	1.5
261.09296	1.4
262.09909	1.0
263.10635	6.2
263.13168	0.9
264.07727	0.6
264.11404	3.1
265.08603	7.4
265.11539	0.9
266.09116	1.6
267.06396	0.7
267.13828	2.1
271.09619	1.0
277.08661	6.1
277.11688	0.9
278.09283	1.7
279.10135	1.7
280.10941	7.1
281.11703	2.5
282.08804	1.7
284.06973	1.1
285.07660	1.2
291.10184	1.7
292.10989	1.7
293.08063	2.3
293.11722	2.5
294.09018	0.8
294.12500	0.9
295.09827	1.1
295.13229	9.8
296.13861	2.0
297.11179	1.7
299.09106	1.7
307.09692	1.4
308.10461	1.7
309.11206	7.0
310.11673	1.0
313.10742	0.8
318.11038	0.7
323.12814	8.4
324.13464	8.0
325.10751	2.0
325.14203	1.5
327.15900	1.1
340.13058	3.8
341.13550	0.7
345.13446	0.7
355.15387	100.0
356.15897	14.2
357.16394	1.0
372.15961	0.6
372.47263	0.7
387.18005	20.3
387.29013	0.6
388.18414	2.2
481.65549	0.7
576.36090	0.7
607.89972	0.7
613.38715	1.5
648.44257	1.9
649.25378	1.2
649.43707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	16.5
56.54172	3.7
57.07080	5.9
61.02938	4.3
67.05503	39.1
69.03437	7.2
69.07066	20.5
70.38664	3.9
71.05005	4.8
72.60953	3.5
79.05502	18.3
81.07057	57.5
83.04972	4.5
83.08619	6.7
85.02921	27.0
85.06551	4.9
91.05490	26.1
93.07045	62.0
95.04994	5.1
95.08608	100.0
97.02892	6.5
97.06525	7.4
97.10159	6.5
105.07024	53.6
107.08598	70.7
107.26558	4.2
109.06535	7.3
109.10155	83.9
111.08099	11.6
117.07014	13.5
119.08588	68.7
121.06602	4.6
121.10144	53.9
123.08076	17.1
123.11715	17.4
129.07027	4.6
131.08557	35.4
132.05104	4.6
133.10133	50.0
135.08116	9.3
135.11671	31.9
137.09624	19.2
137.13243	8.1
138.64850	4.1
141.09122	9.2
143.08562	17.2
145.10118	45.5
147.08109	6.5
147.11685	30.8
149.09692	7.3
149.13295	13.7
153.09132	7.4
155.08546	10.8
155.10712	14.9
156.09315	4.2
157.10118	19.5
159.08076	4.6
159.11713	38.7
161.09613	19.5
161.13254	29.0
163.11191	9.3
163.14828	7.8
169.10133	9.1
171.11679	15.1
173.09627	9.6
173.13197	27.8
175.11205	9.8
175.14850	19.0
176.46899	3.8
179.10750	6.5
181.12212	10.1
183.11772	8.8
184.07353	6.4
185.09547	4.9
185.13313	5.4
187.11209	7.0
187.14838	21.6
188.00447	4.0
189.12804	6.6
189.16357	9.2
191.10698	6.3
193.12445	4.8
195.11731	5.3
195.13817	5.3
197.13197	9.0
199.14867	13.0
201.12790	7.5
201.16438	14.3
203.17996	7.4
205.12271	5.6
207.13805	6.9
209.13449	5.4
211.14893	6.8
213.12627	5.3
213.16278	6.0
215.14398	12.1
217.15889	6.1
219.13791	9.4
221.15451	13.7
227.17949	4.2
229.15891	8.4
233.15413	23.8
235.16968	16.8
247.16948	21.0
249.18500	6.1
253.63130	4.3
259.16922	8.3
261.18484	25.4
273.18463	8.1
275.20108	8.1
287.20044	8.2
301.21777	9.5
315.22958	7.6
327.23120	14.3
329.24936	9.3
341.24646	5.4
355.26492	4.4
405.31445	8.4
415.29926	5.0
423.32471	18.0
433.31036	40.1
434.31412	9.4
443.50342	4.1
451.32007	34.3
456.25082	4.3
469.33127	39.4
470.33081	4.3
552.26453	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	16.5
56.54172	3.7
57.07080	5.9
61.02938	4.3
67.05503	39.1
69.03437	7.2
69.07066	20.5
70.38664	3.9
71.05005	4.8
72.60953	3.5
79.05502	18.3
81.07057	57.5
83.04972	4.5
83.08619	6.7
85.02921	27.0
85.06551	4.9
91.05490	26.1
93.07045	62.0
95.04994	5.1
95.08608	100.0
97.02892	6.5
97.06525	7.4
97.10159	6.5
105.07024	53.6
107.08598	70.7
107.26558	4.2
109.06535	7.3
109.10155	83.9
111.08099	11.6
117.07014	13.5
119.08588	68.7
121.06602	4.6
121.10144	53.9
123.08076	17.1
123.11715	17.4
129.07027	4.6
131.08557	35.4
132.05104	4.6
133.10133	50.0
135.08116	9.3
135.11671	31.9
137.09624	19.2
137.13243	8.1
138.64850	4.1
141.09122	9.2
143.08562	17.2
145.10118	45.5
147.08109	6.5
147.11685	30.8
149.09692	7.3
149.13295	13.7
153.09132	7.4
155.08546	10.8
155.10712	14.9
156.09315	4.2
157.10118	19.5
159.08076	4.6
159.11713	38.7
161.09613	19.5
161.13254	29.0
163.11191	9.3
163.14828	7.8
169.10133	9.1
171.11679	15.1
173.09627	9.6
173.13197	27.8
175.11205	9.8
175.14850	19.0
176.46899	3.8
179.10750	6.5
181.12212	10.1
183.11772	8.8
184.07353	6.4
185.09547	4.9
185.13313	5.4
187.11209	7.0
187.14838	21.6
188.00447	4.0
189.12804	6.6
189.16357	9.2
191.10698	6.3
193.12445	4.8
195.11731	5.3
195.13817	5.3
197.13197	9.0
199.14867	13.0
201.12790	7.5
201.16438	14.3
203.17996	7.4
205.12271	5.6
207.13805	6.9
209.13449	5.4
211.14893	6.8
213.12627	5.3
213.16278	6.0
215.14398	12.1
217.15889	6.1
219.13791	9.4
221.15451	13.7
227.17949	4.2
229.15891	8.4
233.15413	23.8
235.16968	16.8
247.16948	21.0
249.18500	6.1
253.63130	4.3
259.16922	8.3
261.18484	25.4
273.18463	8.1
275.20108	8.1
287.20044	8.2
301.21777	9.5
315.22958	7.6
327.23120	14.3
329.24936	9.3
341.24646	5.4
355.26492	4.4
405.31445	8.4
415.29926	5.0
423.32471	18.0
433.31036	40.1
434.31412	9.4
443.50342	4.1
451.32007	34.3
456.25082	4.3
469.33127	39.4
470.33081	4.3
552.26453	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	18.4
66.93465	13.9
67.05502	49.3
69.91077	63.1
74.55353	15.5
79.05491	43.5
81.07038	73.3
83.04992	38.0
84.48466	13.9
86.09701	21.5
91.05486	41.3
93.07056	92.3
95.04944	14.7
95.08620	78.5
105.07026	54.7
107.08602	61.3
109.10177	43.0
111.04497	17.8
111.08118	32.7
117.07035	30.8
119.08587	56.1
121.06469	24.0
121.10152	21.7
123.08110	37.8
123.11726	18.3
125.00016	17.2
131.08611	37.0
133.10150	63.2
135.11700	29.5
141.04263	16.8
142.07645	17.8
143.08585	35.4
145.10139	42.4
147.11749	35.8
149.06104	16.5
155.08585	22.4
157.10103	31.3
159.11688	26.7
165.07007	18.2
167.07042	46.5
169.10146	21.5
171.11726	38.4
173.13327	21.9
179.08578	18.8
183.11702	42.1
184.07361	95.1
185.13364	15.9
187.11154	16.3
194.81874	15.5
195.11768	19.1
197.13298	20.8
205.10240	19.3
207.11679	37.7
209.13293	21.0
221.13298	28.3
233.13353	26.4
235.14784	16.9
275.17834	17.9
281.22766	20.5
284.08060	16.6
323.12662	23.4
355.15408	96.1
387.17859	23.6
389.24719	47.9
414.01456	18.8
459.25244	20.1
525.37195	42.7
553.36682	25.3
577.36017	29.0
595.37909	100.0
596.37982	23.7
613.38464	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.7
53.03950	6.7
53.61466	1.2
65.68376	1.4
70.37259	1.3
71.32655	1.7
71.33086	1.6
75.03934	1.7
77.03918	1.7
79.05485	1.8
81.07013	1.9
81.34952	1.3
86.09700	1.7
88.87009	1.2
91.05487	1.6
93.07021	2.2
95.04964	8.2
95.08637	1.2
99.04459	1.4
105.03394	85.0
105.04526	3.9
105.74599	1.2
106.03710	8.6
117.06991	1.7
124.99967	2.1
129.06947	1.3
145.06335	1.7
155.08548	1.6
165.05493	4.5
165.07001	4.2
167.03372	3.7
167.07066	2.1
170.40060	1.3
179.07094	1.9
179.08499	3.1
182.07295	6.5
184.07364	3.6
188.08336	4.3
194.07277	2.0
195.08121	2.1
196.08839	1.5
197.09625	6.6
198.97522	1.8
199.07608	1.7
203.10666	6.1
207.07973	2.1
209.09651	1.6
210.06737	14.5
220.47490	1.3
222.06696	2.4
223.07419	2.3
224.08211	2.4
225.05498	2.5
225.09120	31.9
227.06958	4.5
231.10301	2.0
234.10558	1.5
235.07521	4.5
237.05377	1.3
238.06226	9.8
239.03415	1.9
239.06970	1.6
240.07770	5.1
241.04918	1.7
241.08458	3.0
242.09335	3.7
243.06496	1.4
247.07706	2.5
248.08282	2.3
249.09091	2.5
250.09843	2.1
251.06958	4.4
251.10664	2.2
252.07780	5.6
253.04761	2.6
253.08615	32.2
254.05695	4.1
254.08855	2.0
255.06551	3.8
255.10176	2.9
257.04300	1.8
261.08984	2.2
262.09848	1.5
263.06998	2.5
263.10550	1.7
265.05032	2.5
265.08481	2.7
265.12091	2.4
266.05692	4.2
267.06531	5.8
267.10056	4.3
268.07410	8.5
269.07996	2.5
270.08865	2.2
271.06119	1.5
276.07825	3.3
277.08655	3.1
278.09363	6.8
279.06503	1.4
279.10098	5.7
280.07303	3.1
281.08081	53.9
282.05060	1.6
282.08575	3.3
283.09650	5.2
284.06870	2.1
285.03986	3.4
285.11279	3.5
291.10071	3.1
292.07211	1.6
292.10611	1.9
293.08063	3.3
293.11649	6.7
295.06561	2.4
295.09668	6.0
295.12744	1.8
296.06760	1.6
297.07574	4.7
298.08234	4.7
299.09091	3.1
300.06351	3.1
301.07050	2.6
305.08060	2.8
306.08798	1.7
307.09595	4.0
308.10336	4.2
309.07495	1.8
309.11130	1.8
310.08484	2.7
310.12027	3.3
311.05774	1.4
311.09097	27.8
311.12521	1.5
312.09772	4.6
313.07037	3.7
313.10684	14.5
314.07349	1.7
315.08691	8.1
316.05856	1.8
320.10156	2.9
321.07504	2.5
321.11115	3.9
322.11823	2.2
323.09146	2.6
323.12747	7.3
324.13379	1.5
325.10880	1.1
325.14362	27.8
326.14737	2.4
327.08643	9.2
328.09293	4.0
335.09302	1.9
336.09857	3.4
337.10706	3.5
338.11313	3.0
341.09991	1.9
342.10602	1.7
343.11768	100.0
344.12158	6.2
351.12390	13.6
352.13080	6.5
353.10001	2.0
353.13821	28.2
354.14047	3.9
355.15515	8.2
368.12680	2.3
375.08279	3.5
381.13284	3.6
382.13657	4.2
383.14914	55.4
384.15326	5.2
390.10657	3.5
405.13092	34.4
406.13339	1.9
422.10162	2.3
447.14352	4.0
527.16791	59.3
528.17114	10.1
649.35132	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60488	0.4
53.94715	0.4
55.05517	0.5
67.05504	0.8
69.07072	0.6
81.07065	1.3
91.05444	0.5
92.53053	0.4
93.07045	1.0
95.08595	0.9
98.22857	2.2
105.07045	0.5
107.08598	0.6
109.10155	0.6
119.08584	1.1
121.10148	0.6
127.39349	0.4
135.11690	0.4
147.11765	0.5
195.11766	0.5
235.12180	0.5
285.15295	0.4
335.71472	0.5
401.18137	0.5
402.18124	0.9
403.19299	1.9
404.19800	0.9
405.20746	0.8
416.20172	1.3
417.21478	2.1
418.21219	1.1
419.22256	1.6
429.17172	1.3
430.18045	1.5
431.17896	4.1
432.19141	1.4
432.23959	0.8
433.24786	2.3
444.19443	1.5
445.20038	6.6
446.20572	2.5
447.21930	1.4
458.21066	0.7
459.22421	5.8
460.16568	0.8
460.22455	4.4
461.23380	3.6
472.18158	0.5
473.19260	6.8
474.20490	1.4
475.25040	1.6
487.20560	3.1
488.22366	0.9
489.22806	1.4
501.22861	1.5
502.23727	2.0
503.24530	5.8
505.22046	0.7
515.24432	1.3
519.24182	1.7
529.26270	0.6
531.24158	0.9
533.22174	0.8
545.21100	0.6
547.27167	10.2
548.27332	0.9
561.24628	3.1
581.60809	0.5
589.28064	17.4
590.28241	3.0
591.26025	0.8
605.24591	0.5
607.29126	2.7
617.28204	0.8
620.26495	0.5
649.30176	100.0
650.30487	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.6
71.16329	2.5
71.31817	2.9
81.07056	3.9
83.08649	2.7
93.07025	3.2
93.56631	2.1
95.08611	5.5
107.08585	2.9
119.08583	2.9
120.63261	2.5
121.10160	3.3
124.18214	2.6
143.59511	2.3
155.57246	2.4
162.00847	2.8
184.07335	2.5
186.88794	2.5
203.56577	2.5
314.66592	2.3
347.77234	2.4
387.18329	3.4
425.13733	10.9
551.37061	2.9
578.97009	2.7
649.31378	100.0
650.31451	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	12.4
55.05512	78.3
69.22452	12.5
69.22871	12.3
70.79903	3.6
72.41769	3.9
72.93018	3.5
79.05503	3.5
83.04985	100.0
93.07076	4.2
95.04977	9.9
98.22643	6.3
105.03393	98.0
105.04514	7.5
105.07034	5.6
107.08603	4.1
109.10185	3.4
119.08504	3.8
133.10132	3.7
141.05453	6.6
145.50960	3.3
173.55586	3.4
204.96761	3.9
227.07060	3.0
233.05933	3.6
235.07449	6.7
236.08260	3.5
237.09094	3.6
238.06192	3.9
239.07069	5.3
248.08324	4.8
249.09137	7.3
251.10693	3.3
263.07065	4.3
264.07855	5.3
265.08600	5.6
267.06625	4.2
269.08072	5.1
271.06113	5.6
276.07794	4.8
277.08572	10.8
279.06555	3.5
279.10193	10.9
280.07297	4.3
281.08411	4.8
282.09052	3.8
284.06812	4.6
285.07687	3.9
291.06665	5.5
291.10016	7.5
292.07376	3.4
293.08151	6.4
293.11707	4.9
294.08893	5.4
295.09741	5.4
296.06882	4.9
297.07532	11.1
299.05569	5.2
299.08878	5.6
305.08173	5.6
306.08875	8.7
307.06192	5.9
307.09579	16.2
309.03915	3.8
309.07513	11.1
309.11298	9.1
310.08417	5.1
311.09027	6.0
312.09866	10.5
314.07773	4.4
319.98260	3.4
320.06851	4.5
320.10455	5.7
321.07483	8.7
321.11249	10.1
322.08429	5.8
322.11993	9.4
323.08981	10.0
323.12491	4.3
324.09766	5.4
325.07062	3.8
326.11526	7.7
328.09470	8.8
329.10245	33.9
333.07761	3.9
334.08270	4.1
335.09073	23.2
336.09811	7.1
337.10635	25.4
338.11618	6.5
339.08527	4.1
340.09467	5.8
342.10980	10.5
343.11768	17.7
349.10632	12.5
350.11475	43.3
351.08386	5.8
351.12308	14.4
352.13049	27.3
353.10281	9.7
353.13892	8.9
355.11761	51.1
356.12314	5.4
357.13391	9.2
365.10211	16.2
366.10919	5.8
368.12567	12.3
369.13300	10.1
371.11157	35.1
371.15167	4.7
379.11649	4.3
380.12607	18.4
381.08780	5.1
381.13339	78.4
382.13785	5.3
383.14944	42.3
393.13315	6.3
396.12122	4.5
411.14401	93.6
412.14816	8.4
429.15366	10.7
439.57526	3.8
454.16202	5.3
651.28845	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	5.7
55.05278	5.2
55.05514	73.3
67.05506	10.3
69.07053	6.3
73.25206	4.9
79.05470	9.4
81.07043	14.7
83.04980	100.0
85.02909	7.0
91.05481	11.9
93.07043	15.0
95.08601	25.9
98.23412	9.1
99.04459	40.1
105.03405	10.3
105.06996	9.4
107.08577	13.5
109.10153	14.6
119.04938	5.3
119.08564	22.4
121.10146	10.4
123.11687	5.9
127.03929	25.9
131.08594	9.5
132.05705	16.0
133.10117	9.8
135.11700	7.8
145.10077	11.4
147.08000	5.4
157.10159	6.6
159.11647	12.4
161.13245	31.0
179.10587	7.8
187.14893	6.5
195.06435	6.1
199.14911	6.8
201.16388	11.3
205.15919	5.6
207.10139	47.3
217.15981	6.0
219.17433	26.4
237.05469	5.3
237.08955	6.8
249.05388	7.6
251.03331	12.3
251.07060	5.9
253.04883	8.9
263.06821	7.7
264.07797	9.0
265.04895	7.6
265.08533	16.1
266.05707	9.8
267.06497	5.5
279.06293	9.3
280.07339	5.8
281.07953	7.8
291.06461	8.6
292.07272	14.5
293.04449	8.9
293.07755	12.7
294.05203	12.7
295.05853	8.8
295.09439	10.1
296.06522	7.0
297.07544	61.9
307.05966	12.3
308.06674	14.6
311.05368	15.6
311.08984	7.6
313.07080	12.6
322.08252	13.4
323.09094	83.5
324.09915	14.2
325.07025	10.1
325.10611	12.4
326.07697	16.1
337.10812	13.4
339.08484	7.7
340.09189	14.0
353.10208	44.2
355.08484	5.7
355.11768	58.0
356.11996	5.5
357.09402	9.5
365.10309	9.5
366.10742	9.3
367.11624	18.1
369.13208	26.2
379.11688	20.1
389.23038	7.0
397.12839	45.7
407.33054	8.4
417.31439	5.8
435.32468	20.9
453.33447	29.3
455.17377	9.1
497.28192	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
53.74247	0.5
55.05512	15.1
69.69753	1.8
69.70145	1.1
77.44376	0.7
77.60825	0.4
83.04983	18.3
86.09702	1.8
89.68773	0.5
98.22633	0.6
99.97216	0.5
105.03394	7.0
125.00008	1.9
141.06900	0.5
152.06296	0.6
165.07040	1.7
166.07802	0.8
179.08536	1.2
180.05893	0.5
182.07248	4.5
183.07764	0.6
184.07330	8.9
188.08327	2.3
195.07974	1.1
197.09602	4.6
199.07527	0.8
203.10657	4.9
207.08075	1.2
210.06747	7.7
210.08513	0.7
211.07271	0.8
220.15280	0.5
222.06677	1.3
223.07558	1.6
224.08344	1.5
225.05705	1.0
225.09091	23.2
226.06238	0.8
226.09503	1.8
227.07004	1.8
231.10194	0.7
235.07587	2.2
238.06271	6.3
239.03619	0.8
239.06628	1.3
240.07803	3.1
241.08525	0.9
242.09393	1.4
250.09901	1.1
251.07014	1.5
252.07813	2.2
253.08586	21.9
254.05843	1.2
254.09085	1.2
254.24892	0.6
255.06511	1.7
255.10162	2.0
257.11697	0.5
261.09109	0.7
263.06921	0.9
265.05014	0.9
265.08530	0.8
266.05667	2.5
267.02625	0.6
267.06442	1.7
267.10132	1.3
268.07346	3.0
269.08157	1.0
270.08826	2.4
271.06049	0.6
278.09369	1.6
279.06458	0.8
279.09784	0.7
280.07318	1.4
281.08072	40.4
282.08508	3.0
283.06467	0.9
283.09619	3.3
285.03983	1.9
285.07428	0.6
285.11331	1.9
292.10669	0.6
293.08585	0.8
293.11581	2.8
295.06323	0.6
295.09744	1.0
296.06714	2.3
297.07553	2.5
298.08350	2.2
300.06262	2.4
301.06766	0.7
308.10175	0.7
311.09103	21.5
312.09705	3.6
313.07053	1.7
313.10596	9.3
314.11072	0.7
315.08627	6.8
316.08981	0.7
317.06595	1.2
319.09534	1.3
321.07526	0.9
321.11105	1.7
323.12830	0.7
328.09494	3.4
336.09781	1.5
337.10577	1.6
343.11755	100.0
344.12094	7.1
351.12241	5.6
352.12930	2.6
353.13824	1.6
368.12375	0.7
383.14871	19.3
384.15280	2.3
400.11581	1.3
425.15781	3.4
483.20071	0.9
614.20984	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	24.0
59.04990	6.0
61.02908	5.2
66.21701	3.3
67.05495	11.3
69.03431	8.5
69.07066	7.8
69.08683	12.3
69.09109	17.9
77.29120	3.5
79.05497	13.3
81.03431	5.1
81.07069	26.0
81.35725	3.5
82.73846	3.4
83.04982	23.5
85.02906	17.0
91.05462	20.2
92.13423	3.3
93.07033	23.7
95.04964	6.7
95.08606	60.4
97.02861	4.2
97.06551	6.0
98.22646	7.6
99.04457	9.5
105.07017	44.8
107.08591	32.1
109.09082	3.4
109.10146	31.1
111.08084	10.0
113.09633	6.8
117.07034	5.2
119.08579	44.2
121.10121	27.4
123.08120	4.3
123.11712	10.2
127.03888	9.8
129.06985	7.5
131.08557	22.7
133.10129	29.1
135.11702	18.7
137.09631	3.5
143.07480	4.2
143.08572	12.8
144.09409	4.8
145.10109	28.0
147.11684	27.5
149.09607	5.0
149.13275	7.3
155.08513	4.0
157.10114	14.1
157.30507	3.4
159.11678	29.4
161.13255	100.0
162.13570	5.0
171.11699	10.4
173.13274	19.8
175.11185	4.6
175.14857	15.7
177.12788	6.4
177.16376	4.8
180.08661	5.2
185.13298	9.7
187.14832	7.7
189.16402	13.5
191.14265	12.5
191.17941	5.8
197.13257	5.1
199.14844	15.8
201.16350	34.1
203.14317	10.1
205.15955	5.7
207.10106	7.2
209.03616	3.4
213.03935	3.8
213.16328	5.4
215.14375	5.9
215.18033	4.6
217.15733	16.5
219.17436	68.5
221.15454	8.0
227.17712	3.8
229.15918	3.9
231.17410	5.9
233.15446	5.6
235.16920	6.5
247.16946	4.7
251.03407	4.0
258.27731	4.2
266.05927	4.0
280.07443	3.8
281.04706	4.2
281.07990	4.2
297.07434	16.2
308.06912	4.3
311.23712	5.0
322.08273	4.2
323.08978	23.8
325.25336	11.8
326.07709	8.3
337.25256	6.6
353.10214	10.1
355.11703	14.4
361.29181	4.0
369.13211	7.1
379.12070	4.8
397.12921	12.5
407.33054	16.6
417.31372	17.0
435.32556	70.0
436.33154	6.7
453.33621	79.6
454.33981	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.3
55.05516	14.8
57.56188	3.1
67.05502	29.5
69.03420	4.3
69.07071	15.9
69.86432	2.9
71.05000	3.9
73.60931	3.5
79.05502	24.1
79.07101	3.2
81.07059	54.0
83.04993	4.9
83.08624	8.9
85.02906	26.8
86.09702	5.3
91.05486	17.9
92.48824	3.7
93.07039	50.0
95.04961	9.1
95.08609	100.0
97.02897	9.2
97.06508	7.8
97.10174	3.7
97.47186	3.6
98.94281	2.9
105.07021	45.7
107.08588	61.9
109.06525	4.7
109.10150	46.5
111.08070	5.7
113.06001	4.4
117.07025	6.6
119.08580	61.4
121.06487	3.9
121.10143	59.8
123.08072	10.4
123.11702	16.2
125.09624	6.5
127.03974	6.2
131.08571	13.1
133.06465	3.4
133.10130	44.5
135.08073	12.1
135.11676	33.5
137.09654	5.1
139.07513	4.7
143.08595	7.6
145.05026	5.7
145.10139	22.3
145.59355	3.3
147.08067	8.6
147.11687	30.0
149.09656	8.2
149.13232	10.8
153.09096	7.1
157.10139	9.2
159.11664	21.4
161.09587	16.5
161.13249	43.4
163.11171	12.3
163.14828	8.1
165.09093	4.2
167.10687	8.6
171.11586	7.3
173.13297	19.3
175.11217	13.5
175.14813	13.6
177.16415	3.5
179.10687	3.9
180.08643	6.9
181.12250	12.9
183.11786	3.7
184.07346	12.8
185.13295	8.7
187.14815	10.9
189.12720	6.2
189.16354	22.7
195.13777	5.3
199.14816	10.1
201.12747	6.1
201.16367	6.9
203.14409	6.9
203.17926	7.2
205.15929	7.4
209.15358	10.6
213.16476	5.6
217.15883	9.0
218.16486	3.3
221.15318	29.2
223.17020	6.8
229.15912	6.6
231.17384	9.6
233.15430	6.8
235.16902	40.3
236.17177	5.1
247.16919	13.2
249.18501	14.7
249.20871	3.6
261.18625	6.2
265.08554	6.8
269.52716	3.3
276.02637	3.6
293.22693	3.4
294.89627	3.2
329.24707	11.4
343.26309	25.5
355.26361	11.0
357.27722	5.1
381.13257	3.7
382.13672	6.7
383.13834	6.9
397.30960	3.4
407.32959	5.7
417.31461	10.8
425.34073	22.2
435.32587	37.6
453.33698	37.6
471.34555	31.4
472.35092	6.2
551.15143	6.5
575.63788	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01860	3.9
55.05510	13.1
57.03436	3.2
57.07065	6.2
58.97586	3.1
61.02928	2.6
67.05500	41.4
69.03426	7.1
69.07061	19.3
73.02906	2.3
79.05486	23.5
81.03401	3.2
81.07057	62.1
83.04972	5.9
83.08618	9.7
85.02902	25.5
85.06599	2.7
85.07625	2.1
91.05480	23.4
93.07050	54.1
95.04961	8.4
95.08604	100.0
97.02892	5.6
97.06511	5.7
97.10172	7.2
99.04431	3.4
105.07025	55.1
107.08586	78.1
107.09281	4.7
108.17528	2.1
109.06532	6.7
109.10146	65.9
110.10477	3.4
111.08065	5.4
113.06038	3.2
117.07044	7.3
119.08575	77.7
121.06554	5.4
121.10142	65.3
122.10466	2.3
123.08073	5.7
123.11701	27.5
124.52390	2.7
125.09641	4.4
127.03909	3.9
128.06189	2.5
129.07007	4.5
131.08549	18.8
133.10133	51.1
135.08066	10.2
135.11684	36.2
137.09648	2.5
137.13254	3.2
143.08549	11.6
145.04947	5.0
145.10129	30.0
147.08084	8.9
147.11693	38.7
149.09641	8.7
149.13240	18.3
153.09087	6.4
155.08582	2.4
157.10159	11.2
159.08151	2.6
159.11687	27.5
161.09604	13.8
161.13257	71.9
162.13623	2.8
163.11143	13.9
163.14810	11.6
165.09169	7.1
165.16341	2.2
167.10674	7.1
169.10199	5.3
171.11687	9.3
173.13231	25.5
173.14407	2.5
175.11177	12.4
175.14809	24.1
177.12830	3.2
177.16426	8.0
179.10683	9.3
180.08714	10.6
181.10124	2.9
181.12218	12.1
183.11688	4.9
185.13303	9.0
187.11194	5.2
187.14757	18.6
189.12738	5.5
189.16348	26.5
191.14355	4.9
191.17949	5.5
193.12236	3.3
193.40091	2.5
195.12105	2.6
195.13872	4.7
197.13280	4.6
199.14790	12.9
201.12796	5.5
201.16415	18.2
203.14345	10.1
203.17996	9.7
205.15894	8.9
207.13776	4.2
209.15399	7.6
211.14781	3.8
213.16434	8.5
215.14412	3.7
215.17998	6.6
217.15895	14.0
217.19516	3.6
219.17484	3.5
221.15317	17.2
223.16869	14.3
227.17896	4.0
228.79575	3.1
229.15927	6.2
231.17427	9.9
233.15411	8.7
235.16911	32.2
237.18477	4.7
243.17355	3.7
247.16946	15.1
249.18541	14.8
255.17696	2.4
259.16840	3.4
261.18518	3.4
291.61874	2.3
309.22153	2.9
311.23669	7.0
319.24341	2.7
325.25220	8.9
329.24759	6.6
337.25217	6.8
343.26324	39.1
344.26447	3.5
355.26260	19.8
356.27020	3.1
379.30273	3.5
397.30942	3.2
407.33188	17.8
417.31259	11.2
425.34039	37.3
426.34564	5.4
435.32614	64.6
436.32813	6.6
453.33618	31.7
454.33929	3.7
471.34576	14.2
651.41522	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.3
55.01870	4.9
55.05499	14.8
57.07071	3.6
61.27809	3.5
67.05504	38.4
69.03423	8.9
69.07073	19.0
71.04984	5.1
79.05492	27.7
81.07050	56.3
82.07370	3.3
83.04971	9.5
83.08607	10.3
85.02905	27.5
91.05461	21.6
93.07043	55.6
95.04939	8.4
95.08606	100.0
97.02892	9.0
97.06528	15.7
105.07026	52.2
107.08598	66.3
109.06486	4.8
109.10160	56.9
111.08092	5.2
117.07034	7.3
119.08594	56.3
120.09007	3.9
121.06543	4.0
121.10135	69.4
122.32024	3.1
123.08064	10.7
123.11710	32.3
131.08560	15.8
133.10150	40.8
135.08052	11.7
135.11679	32.0
139.07503	4.4
141.09088	4.4
143.08568	11.1
145.04956	7.4
145.10117	24.3
147.08000	7.8
147.11708	34.0
149.09624	7.4
149.13243	12.3
153.09120	9.6
157.10120	13.0
159.11667	24.1
161.09636	14.5
161.13254	39.6
163.11189	9.6
163.14772	6.4
167.10693	7.6
169.10104	5.4
171.11725	8.7
173.09523	4.2
173.13300	18.3
175.11186	13.0
175.14825	17.2
177.12686	5.4
177.16406	4.4
179.14299	4.2
180.08675	13.4
181.12300	9.8
183.11630	4.6
184.07295	13.0
185.13292	11.2
187.14775	10.7
189.16394	13.2
191.14386	4.8
195.13725	6.5
199.11047	4.3
199.14792	7.3
201.16382	13.4
203.14351	11.7
203.17958	10.6
205.15825	4.7
209.15358	9.5
213.16321	4.5
215.14255	6.3
215.17715	3.6
217.15874	12.3
221.15416	14.6
223.16914	4.5
229.15909	4.7
231.17546	4.7
235.16920	32.4
247.16904	15.6
249.18561	16.8
329.24628	5.9
343.11670	5.1
343.26263	15.3
355.26263	4.9
407.32877	5.2
409.16013	7.9
410.16513	8.1
417.31488	10.1
425.34116	16.2
435.32471	34.5
453.33734	30.2
454.33908	4.9
471.34625	31.6
570.40454	4.5
614.38770	7.5
650.33490	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.1
56.05033	0.9
57.07068	0.2
58.06637	0.5
58.34256	0.1
60.08163	6.8
67.05518	0.7
70.06567	0.2
71.07376	4.5
81.07047	0.3
86.09705	35.5
87.10044	0.7
93.13888	0.1
95.08579	0.2
98.22620	0.3
98.97843	0.3
98.98462	4.3
104.10751	2.5
104.11409	0.3
109.10178	0.4
125.00003	23.6
126.00322	0.1
143.01018	0.3
153.21082	0.1
184.07339	100.0
185.07689	1.8
229.33191	0.2
458.11597	0.1
478.33005	0.2
520.96362	0.2
650.43866	5.5
651.44244	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	16.5
58.64170	0.5
63.34338	0.5
65.73703	0.5
67.05497	0.7
69.10691	1.1
69.11091	4.6
74.30000	0.5
77.31118	0.5
81.07045	0.8
83.04984	16.1
86.45544	0.5
91.05465	0.9
92.42591	0.7
93.07021	1.1
95.08565	0.9
99.96960	0.6
101.32555	0.5
105.07025	0.8
107.08583	0.7
109.10144	0.8
117.79760	0.5
121.06490	0.5
141.06987	0.6
145.10071	0.8
147.11803	0.6
153.07027	0.8
157.10023	0.6
165.06999	1.9
166.07739	1.5
167.08531	1.3
178.07788	2.2
179.08595	6.6
180.08861	0.6
181.06554	0.9
181.10150	0.8
189.01964	0.7
189.06992	0.6
191.08473	0.6
193.06578	0.7
194.07228	1.0
195.08035	1.1
197.09761	0.6
207.08049	15.7
208.08595	1.7
209.09601	2.3
211.07515	0.8
213.05539	3.7
220.05180	1.7
221.05896	0.8
222.06720	1.9
223.07515	1.2
224.08344	0.7
225.09035	1.3
226.06262	1.5
227.07042	2.6
235.07542	11.6
236.04720	0.5
236.08267	1.1
237.05545	2.7
237.09116	2.0
239.03358	0.8
239.07040	3.0
240.07689	0.8
243.06537	0.8
249.05457	5.9
250.06250	14.9
251.06961	6.6
252.07841	2.9
253.04961	1.7
253.08437	2.6
263.07059	3.3
264.07767	1.0
265.08600	82.3
266.06042	1.0
266.09122	6.5
267.03381	0.9
267.06512	5.6
267.10092	2.1
268.07227	1.3
268.10153	0.7
269.08115	1.0
278.05551	0.8
279.06503	1.8
280.07254	0.8
281.04807	4.6
281.07828	5.3
282.08878	2.7
283.09637	1.8
293.04819	0.7
293.08051	17.7
294.08511	2.0
295.06046	3.5
295.09677	2.2
296.06683	2.8
297.11169	1.4
299.01620	0.7
299.09207	1.2
309.07632	4.6
310.08298	2.0
311.08932	0.7
313.10522	1.1
319.06079	1.2
323.08984	1.1
325.10703	43.1
326.11002	3.6
337.06934	4.4
341.10416	1.0
347.08875	7.1
351.08752	0.8
364.09143	0.7
365.06293	1.1
369.09653	8.0
397.09341	2.1
429.12006	0.7
447.14182	12.6
448.14667	1.7
451.10019	10.7
452.10526	1.5
481.13092	0.6
519.12842	1.0
551.15247	100.0
552.15564	11.8
651.20386	0.9
651.36707	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2808
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
50.39350	1.0
53.03938	0.9
54.72409	0.9
55.05508	2.2
57.03432	1.2
57.07069	4.0
58.81657	0.9
67.05504	4.3
69.07053	1.2
71.08624	2.8
71.30479	1.6
79.05482	1.4
81.03381	1.0
81.07050	3.8
83.04984	1.3
83.08607	1.4
85.10167	1.5
86.09705	3.2
93.07060	1.8
95.08597	10.2
96.08926	1.7
105.07047	1.1
107.08546	1.8
123.08084	1.3
133.10147	1.3
151.08250	1.0
184.07338	7.3
215.12793	5.2
216.13008	1.4
221.10733	1.1
247.12477	0.9
313.27359	4.7
314.27554	2.3
387.16440	1.8
391.18945	2.7
399.16138	3.1
400.16858	4.4
401.17688	6.2
402.18259	1.8
405.20837	2.2
406.21161	1.1
407.22302	3.0
408.22415	1.0
413.17477	4.3
414.18695	5.6
415.19302	11.3
416.20108	2.6
417.20834	1.4
425.17480	2.5
427.19431	2.3
428.20566	4.8
429.21240	12.0
430.21115	3.9
435.21405	2.0
441.17139	2.6
442.17587	1.7
443.17181	4.6
443.22552	4.1
444.18405	6.6
445.20239	4.6
446.20920	1.5
447.18130	1.4
453.35611	1.7
454.35931	2.0
455.18863	1.5
456.19666	2.3
457.20599	8.9
458.21027	7.2
459.22226	2.1
469.16354	1.3
471.22101	9.8
472.23221	8.3
473.19260	8.4
474.20331	5.5
485.19745	3.9
486.20523	7.8
487.21082	3.8
488.21979	2.3
489.22815	3.1
490.19586	4.4
499.21262	15.1
500.22437	5.8
503.24646	6.9
514.19891	1.6
517.22229	11.6
518.22687	1.4
527.20734	2.9
528.21533	2.2
530.22876	1.1
531.23938	15.7
532.24341	2.1
541.22760	1.3
545.20813	1.1
549.25006	7.7
559.23370	100.0
560.23706	16.0
587.22839	15.9
588.22614	1.4
591.25800	1.8
619.25507	91.8
620.25696	13.9
651.28070	15.6
651.44836	2.8
652.28278	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.0
55.05513	71.4
71.32117	1.0
83.04983	100.0
84.05323	2.8
95.04977	2.1
101.06010	2.0
105.03391	35.5
105.04521	2.0
106.03721	1.4
145.45032	0.9
152.06245	1.0
165.07021	2.7
179.08629	1.4
182.07372	1.0
183.08040	1.3
193.06499	1.9
194.07100	1.2
194.94191	0.8
197.09631	1.9
200.65977	1.0
207.08020	1.3
210.06764	2.8
211.07532	1.9
221.06035	3.5
222.06778	1.5
223.07594	1.6
224.08353	1.2
225.09119	5.3
229.05174	1.0
235.07648	1.7
237.05502	1.1
238.06198	1.7
239.07057	5.2
240.04227	1.0
240.07603	1.1
249.05505	2.5
250.06276	2.2
251.06998	5.1
252.07756	2.2
253.04974	2.2
253.08614	8.6
254.05763	1.9
257.04443	4.3
263.06958	2.6
265.05170	1.6
265.08551	3.9
266.05817	1.6
267.02924	2.0
267.06525	3.3
267.10156	1.3
268.07257	1.9
269.04477	1.1
269.08041	3.0
270.05328	1.5
271.06168	1.1
271.09644	1.9
277.08575	1.1
278.05698	2.4
279.06531	10.7
279.09576	1.4
280.07233	2.1
281.04608	1.5
281.08093	4.8
282.05353	2.4
282.08981	1.3
283.02429	8.4
283.06024	2.1
283.09460	5.6
284.03177	24.1
284.06381	1.0
285.03857	2.5
285.10947	1.0
287.05634	0.9
293.08081	6.6
294.05362	1.0
294.08585	1.3
295.06046	2.2
295.09717	4.4
296.06696	2.8
296.09976	1.1
297.03979	2.5
297.07507	7.0
297.10800	1.3
298.04706	3.0
299.05518	65.5
299.09055	3.5
300.05933	4.3
307.06091	2.1
307.09439	1.1
309.04178	1.5
309.07538	3.5
310.08255	1.8
311.05472	2.2
311.09100	17.5
312.06369	2.2
312.09735	2.1
313.03802	0.8
313.07077	16.2
313.10559	1.1
314.07611	1.4
315.08469	2.1
321.07565	4.9
323.09109	2.0
324.06116	1.0
324.09802	1.0
325.07248	1.5
325.10648	5.6
327.04987	1.3
327.08606	18.3
328.09354	6.4
329.10202	17.8
335.09021	1.1
339.04575	1.0
339.08658	19.3
339.12512	2.0
340.09082	1.9
341.06567	27.2
341.10175	2.4
342.06900	2.2
342.10941	2.1
343.11734	6.3
345.13232	2.4
349.06995	1.0
353.10266	8.5
355.11807	9.8
357.09506	1.3
357.13342	7.0
363.08148	1.1
367.11783	1.4
369.09604	3.6
371.11166	1.3
381.09540	10.2
381.13409	1.1
399.14841	1.3
413.12320	5.4
548.46368	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.4
55.05512	72.5
67.05511	2.6
79.05446	1.2
81.07054	3.1
83.04982	100.0
84.05286	1.4
91.05495	2.6
93.07063	3.5
93.47597	1.3
95.04967	5.0
95.08596	1.6
105.03389	47.2
105.04478	2.8
105.07053	3.5
106.03719	1.1
107.08582	2.7
115.65159	1.1
117.07026	1.3
119.08626	2.0
133.10127	1.6
157.10141	1.3
165.06982	3.3
179.08563	3.8
181.10146	1.6
189.06979	1.3
193.06480	4.5
207.08058	4.6
209.09692	1.5
221.05957	7.7
222.06570	1.8
223.07446	1.8
225.05505	1.5
225.09103	2.3
227.03584	1.3
227.06648	1.4
235.07501	6.9
236.04817	1.8
236.07861	2.1
237.09245	1.6
239.07018	2.5
249.05489	9.1
250.06181	12.6
251.06990	8.2
253.08662	2.0
262.06265	1.3
263.06979	7.0
264.04138	4.0
265.05167	4.4
265.08597	58.8
266.06070	1.9
266.08994	10.2
267.06500	1.2
275.07016	2.6
277.04950	3.3
278.02240	1.7
278.05710	5.1
279.03329	2.8
279.06503	13.8
280.07001	1.6
281.05133	1.3
281.08096	5.0
283.02319	1.7
283.09604	1.9
284.03101	5.0
291.02930	1.6
291.06512	1.9
293.08078	70.4
294.05246	1.8
294.08545	11.8
295.06116	2.8
295.09442	2.6
299.05505	13.9
303.06546	3.3
305.07947	2.5
306.05142	1.8
307.05994	26.5
308.06396	3.3
311.09079	5.6
321.07590	14.2
322.08087	1.8
324.06171	1.6
325.07025	16.0
325.10730	7.8
326.07498	1.7
326.11041	3.1
327.08563	4.2
329.10495	1.5
335.08878	1.7
339.08682	10.0
341.06573	2.1
349.06979	10.8
353.10208	23.3
363.08545	3.5
367.08136	3.5
381.09503	4.3
388.41431	1.3
427.01776	1.2
435.10742	1.6
498.09998	1.2
519.60529	1.2
551.14789	1.3
552.15576	6.9
641.13464	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07590	1.4
51.10518	1.4
51.17793	1.4
52.93428	1.2
53.03942	1.7
55.05494	4.0
67.05537	1.5
69.43314	1.5
71.30373	1.1
74.09724	9.5
79.05515	1.7
81.07049	2.9
83.04966	4.4
91.05486	2.8
105.03391	5.9
107.08625	2.0
155.08549	2.1
181.10155	1.5
207.08055	2.6
208.21257	1.4
215.87155	1.7
221.09804	2.2
224.08397	2.0
225.09172	2.2
225.28778	1.6
233.05878	2.2
234.06828	3.7
235.07614	4.4
237.09067	3.7
239.07018	2.0
249.09158	7.3
251.07030	2.1
252.07727	3.8
255.06544	1.6
263.07089	4.9
264.07825	3.2
265.08539	4.3
266.05829	1.7
267.07089	1.5
267.10095	7.9
268.07391	3.0
268.10867	1.7
269.08273	2.0
277.08640	5.5
278.05771	1.6
279.06683	2.9
279.10086	3.3
280.07294	3.7
280.10892	2.8
280.79016	1.7
281.08084	4.5
281.11371	2.0
282.08817	2.9
282.12466	3.1
283.09564	3.6
284.06644	2.2
284.10190	1.7
285.07315	2.4
292.07266	4.0
293.08121	8.5
294.08801	5.4
295.09686	12.7
296.06656	1.8
296.10281	2.5
297.08087	2.3
297.11023	7.9
298.08337	5.8
298.11713	3.0
299.05789	2.5
299.09213	6.0
299.99786	1.6
306.09039	2.8
307.06323	3.0
307.09625	15.7
308.07141	1.5
308.10321	6.6
309.07553	4.9
309.11121	6.3
310.08270	5.1
310.11969	7.1
311.09079	8.1
311.12354	2.8
312.09851	4.5
313.07291	1.7
313.10739	4.0
313.14218	2.8
314.07895	4.0
315.89389	1.6
322.08279	2.7
323.09100	8.7
324.09802	3.9
325.10669	14.3
326.11307	6.4
327.08591	4.4
328.09412	2.0
329.10138	16.0
337.10669	3.3
338.11493	21.1
339.08615	3.5
339.12201	9.2
340.09064	2.9
340.13068	50.6
340.19492	1.9
341.10135	8.3
341.13760	12.2
342.10962	9.1
343.11700	12.0
345.13403	2.4
353.10278	2.3
354.10892	6.2
355.11575	2.7
356.12454	21.5
356.16339	2.5
357.13037	4.1
367.11627	2.6
369.13330	100.0
370.13702	10.0
371.14868	91.8
372.15262	9.2
373.12640	3.1
382.14136	5.9
383.14929	2.3
385.16522	2.6
413.15979	13.9
414.16010	2.2
484.90884	1.7
652.28485	3.6
653.29199	2.9
653.39429	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08628	1.1
57.21990	1.2
69.16837	7.6
73.65538	1.1
83.04958	1.7
89.63822	1.1
90.54804	1.0
99.20044	1.2
105.03392	1.4
112.58002	1.1
179.08762	1.2
195.08083	1.6
207.08092	1.4
209.09717	1.5
211.92505	1.1
224.08275	1.0
234.06789	3.1
235.07521	5.5
237.05417	1.1
237.09113	3.5
239.10722	1.6
240.07869	1.7
249.05386	1.5
249.09134	9.1
251.07045	2.5
252.07745	2.5
253.08566	1.7
255.06708	1.4
255.09956	1.9
263.07004	4.3
264.07816	2.0
265.08685	5.9
266.08966	1.7
267.10315	6.6
268.07404	1.8
269.08109	1.7
271.06049	2.3
277.08511	5.9
278.09348	2.2
279.06491	2.7
279.10208	2.9
280.07260	2.2
280.10974	3.0
281.04724	1.3
281.08099	4.2
282.08859	3.9
282.12457	5.4
283.06390	1.6
283.09592	5.4
283.12625	1.6
284.06696	3.4
285.07559	3.1
291.06589	2.1
291.10178	1.2
292.07303	2.7
293.08087	9.3
294.08713	4.2
295.06342	2.3
295.09570	11.9
296.06812	2.6
296.10107	2.7
297.07794	1.8
297.11111	9.2
298.08353	3.6
298.11679	1.4
299.05447	3.5
299.09061	5.0
306.05606	1.3
307.06274	2.0
307.09589	15.9
308.07065	2.1
308.10278	8.2
309.07507	6.7
309.11212	8.0
310.08246	5.5
310.11966	8.0
311.09076	7.6
311.12244	1.5
312.09821	2.7
313.07336	1.7
313.10690	4.5
313.14395	2.8
314.07788	2.3
322.08356	3.5
323.09045	7.8
324.09872	4.0
325.10678	19.4
326.08038	1.8
326.11368	8.2
327.08636	3.9
328.09326	1.6
329.10126	17.2
337.10794	2.0
338.11444	19.4
338.15164	0.8
339.08368	3.0
339.12238	7.7
340.08926	2.9
340.13028	51.1
341.10504	7.4
341.13702	9.3
342.10992	8.0
343.08240	1.4
343.11725	8.1
353.10019	2.6
354.10895	5.3
355.11798	3.6
356.12537	20.8
357.13004	3.8
367.11441	1.7
369.13312	91.0
370.13586	10.0
371.14883	100.0
372.15417	9.0
373.12784	3.7
382.14047	5.0
383.14621	2.1
413.15973	14.7
414.15955	1.7
472.33865	1.1
616.00732	1.3
623.24738	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03974	2.5
53.21865	2.7
53.22957	2.1
54.23119	2.3
55.05511	57.7
57.03424	3.1
58.09027	2.2
64.99379	2.3
67.05505	16.2
69.02158	22.7
69.03424	5.0
69.07083	2.5
71.04978	3.1
72.55324	2.1
79.05511	5.7
81.03432	11.2
81.07054	9.9
83.04983	100.0
83.08644	4.9
85.02903	6.9
86.09715	2.8
91.05479	5.6
93.07030	6.7
95.08597	5.3
97.02888	5.0
97.06545	2.6
105.07043	3.6
107.08591	6.7
109.01569	2.3
109.02872	3.3
109.10162	10.6
111.08083	2.4
119.08591	7.2
121.06497	3.0
127.03932	3.7
133.10138	9.8
145.10159	4.7
163.11230	4.0
175.14868	13.1
180.30229	2.4
193.15887	3.5
209.11775	2.7
211.17102	4.0
212.41133	2.4
227.09076	4.1
227.12698	3.8
229.14375	3.8
240.58063	2.5
245.10275	3.9
248.08208	2.7
249.09093	2.5
256.07248	2.6
263.10492	3.7
265.08630	2.8
279.10226	5.9
281.08279	2.8
281.11749	6.9
283.15488	5.8
291.10211	2.5
295.13132	5.7
296.10355	3.5
299.09180	7.8
309.11194	6.5
311.09091	2.9
313.14182	3.6
323.12830	4.9
326.11423	4.2
341.13846	66.5
342.14294	5.8
355.15533	16.3
373.16370	23.7
374.16724	3.1
423.18057	4.5
437.25269	8.3
455.20432	14.3
455.25928	4.1
535.21552	4.3
552.53607	2.6
652.36603	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
54.27352	1.1
55.01873	3.3
55.05515	39.4
57.03437	11.8
59.05001	1.4
61.02930	2.5
67.05507	27.4
69.03427	8.7
69.07079	9.5
71.04973	3.3
71.30848	1.7
73.02911	1.4
79.05068	1.8
79.05501	21.2
81.03421	43.4
81.07061	23.4
83.04981	12.7
83.08625	33.9
85.02905	16.9
85.06523	2.1
85.69863	1.3
91.05482	20.7
93.07036	13.5
95.04970	18.1
95.08607	8.9
97.02876	4.4
97.06519	2.3
97.10175	52.1
101.45600	1.7
105.03391	3.0
105.07022	15.9
107.04959	5.1
107.08595	17.6
109.06506	3.0
109.10172	7.6
111.04443	2.2
111.08078	7.7
117.07009	2.7
119.08580	13.4
121.10141	4.5
123.08065	2.1
125.09634	47.9
127.07501	1.3
129.06970	7.5
131.08577	6.2
133.06496	1.7
133.10112	4.9
135.08064	4.0
137.09587	2.0
142.07774	2.2
144.88098	1.1
145.10133	2.1
147.08063	2.6
147.11708	9.8
149.09648	4.8
153.09129	2.7
155.08614	1.3
157.10150	9.2
163.11166	2.5
165.12770	2.5
171.10201	3.8
175.11189	8.8
189.11238	30.2
193.12241	32.2
194.12599	2.3
211.07645	2.7
211.13303	65.9
212.13666	2.9
225.48526	1.3
227.12781	85.6
228.13158	3.4
229.14323	2.3
245.13847	65.3
246.14185	2.5
267.06497	4.0
267.15918	19.1
285.16983	36.7
286.17145	1.9
297.07584	2.5
301.16403	1.3
326.89502	1.2
329.10135	10.3
363.56882	1.3
369.13290	1.4
419.23914	3.8
437.25372	23.9
438.25598	2.8
455.26404	100.0
456.26706	8.7
653.30951	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
54.51011	0.9
55.01871	9.9
55.05513	19.6
57.03434	20.1
57.07068	2.5
57.36330	0.9
59.04998	4.5
61.02921	5.6
65.03921	2.7
67.05503	100.0
69.03413	4.8
69.07064	5.6
69.23539	5.9
69.23950	2.2
71.05001	5.1
73.02919	4.3
74.66883	0.9
79.05490	18.0
81.03416	12.8
81.07053	23.8
82.04213	3.6
83.04977	11.2
83.08616	11.5
85.02905	7.0
85.06541	3.6
91.03952	2.9
91.05478	18.3
93.07044	13.2
94.04150	1.2
95.04963	10.4
95.08605	12.4
96.05727	1.5
97.02895	5.7
97.06509	6.2
97.10179	10.3
98.07345	2.8
99.04456	2.0
99.08132	1.0
105.07018	8.9
107.04950	4.3
107.08611	6.8
109.02806	1.2
109.06519	2.0
109.10152	89.3
110.10485	2.4
111.04468	1.6
111.08083	6.6
116.04706	9.0
117.07008	2.4
119.08585	13.1
121.06550	1.6
121.10139	3.3
123.08081	3.9
125.09637	10.8
127.11195	1.8
129.05476	20.3
129.06984	2.1
129.51123	1.1
131.08554	3.4
133.10135	3.7
133.37575	1.1
135.08069	2.3
135.11693	3.7
136.08884	1.0
137.09604	5.3
143.07036	6.3
145.10114	4.2
147.11681	3.1
151.11159	1.1
153.09149	1.3
155.10687	6.0
157.08620	11.9
157.09969	2.0
158.05785	1.6
163.11197	3.9
164.11885	1.4
171.06512	2.7
171.10204	3.7
173.09555	1.7
173.11734	33.9
175.11128	1.3
181.12270	2.0
185.08084	2.4
185.11705	1.1
189.11200	5.1
191.10466	1.2
193.10478	1.2
193.12238	3.8
199.09622	2.2
199.13290	10.2
200.13899	1.4
201.14757	1.9
209.11656	5.0
210.12486	2.0
211.13396	1.5
227.12749	8.4
229.14339	90.2
230.14577	4.6
255.16052	2.4
257.13974	1.0
267.15894	7.3
283.15421	8.5
284.16028	1.6
301.16437	52.0
302.16879	2.9
311.18329	1.9
323.09189	1.6
326.24484	1.2
328.09354	1.4
353.23209	2.4
371.24066	5.8
375.09799	1.0
383.24200	12.0
384.24396	1.0
421.25806	6.3
434.15048	1.6
437.25372	4.0
438.26123	6.5
439.26602	1.4
455.26361	73.6
456.26581	6.3
652.22937	3.2
652.37549	4.7
653.36957	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.6
57.07059	2.1
59.05657	0.6
61.55606	0.6
64.13589	0.6
67.05505	6.9
69.03430	1.0
69.07071	4.4
79.05486	2.8
81.07056	12.4
83.08617	1.7
91.05477	5.6
93.07040	5.4
95.08611	32.4
99.02653	0.7
105.07030	37.7
106.07337	0.9
106.12879	0.6
107.08590	7.0
109.10155	10.4
119.08581	21.3
121.10136	7.8
123.11696	4.3
127.11127	0.7
131.08565	1.5
133.10130	16.0
134.10455	0.8
135.11685	2.0
145.10153	1.7
147.11690	27.1
148.12068	1.2
161.13269	8.3
163.14799	1.2
175.14842	3.3
177.16397	0.9
199.07545	1.7
203.17955	100.0
204.18288	5.4
209.13371	0.8
221.19029	2.8
227.06996	2.5
255.06609	1.0
260.38092	0.6
268.69931	0.6
285.07526	1.2
286.08380	1.2
287.09097	1.8
317.10208	1.1
325.14285	3.3
355.15421	0.8
357.98282	0.8
385.19128	0.7
387.18018	28.4
388.18158	2.1
403.26233	1.5
445.27356	0.7
463.28311	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.171
Annotation	Quercetin 3-rhamnosyl-(1->6)-(2''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03953	0.2
55.05510	1.3
55.07424	0.2
57.03439	0.2
59.05011	0.2
61.02922	1.1
65.03932	0.2
67.01871	0.2
68.99805	0.6
69.03430	23.8
69.39155	1.0
70.03753	0.3
71.01353	0.7
71.04990	2.2
73.02914	0.2
73.78883	0.1
81.03418	0.6
82.00093	0.2
83.04479	0.4
83.04980	6.7
85.02905	5.0
87.04447	0.4
93.03421	0.2
97.02892	0.9
99.04437	0.3
101.06025	0.2
109.02901	0.5
111.00803	1.0
111.04443	6.7
119.12430	0.2
121.02866	0.8
127.03931	0.6
129.05476	12.2
130.05829	0.3
132.51852	0.2
137.02330	3.2
137.03372	0.3
145.04959	0.6
149.02361	0.3
153.01816	3.3
161.05923	0.3
163.03899	0.6
165.01872	1.9
166.02492	0.2
173.05984	0.5
183.02853	0.7
183.04353	0.2
187.03899	0.3
189.07574	5.9
190.07932	0.2
201.05493	1.3
219.02904	0.2
228.04202	0.3
229.04974	4.0
230.05334	0.2
247.06120	0.8
257.04431	2.5
274.04709	0.7
285.04053	0.9
286.04413	0.2
303.04974	100.0
304.05316	5.7
315.05011	0.3
344.58118	0.2
345.06107	0.3
465.10333	0.4
495.31613	0.2
612.02899	0.2
618.02869	0.2
623.02228	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.0
61.02922	2.0
64.19098	0.4
65.85841	0.4
67.28557	0.4
69.03426	1.0
71.05003	9.7
71.29889	0.6
75.04459	0.7
79.05970	0.4
83.04980	5.8
85.02918	5.7
87.04470	1.1
91.03949	0.8
97.02913	1.2
111.00809	1.0
111.04452	11.4
113.06023	3.6
115.03974	0.5
117.05497	2.0
121.02886	0.8
129.05484	16.0
137.02354	3.1
153.01823	4.5
165.01868	1.7
166.02682	0.6
171.06506	5.6
177.05452	0.5
183.02934	1.0
189.07582	9.9
201.05492	1.3
229.05002	4.4
257.04443	2.2
263.53540	0.5
285.03879	1.2
303.04996	100.0
304.05331	5.0
347.08548	0.5
486.23611	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.8
51.02370	0.7
53.00296	0.1
53.03948	3.7
54.04270	0.2
55.01872	0.3
57.03428	0.2
61.02930	0.3
65.00272	0.0
68.99782	0.1
69.03426	0.9
73.02899	0.1
77.03924	1.3
79.05505	0.1
81.03423	1.2
85.02422	0.1
85.02911	1.4
87.04494	0.1
95.04971	6.9
96.05313	0.2
97.02881	0.7
99.04464	0.2
105.03393	100.0
105.04527	3.5
106.03719	2.7
106.04877	0.1
109.02857	0.4
123.04408	0.2
127.03921	0.4
145.04959	0.2
167.07108	0.1
211.07491	0.1
225.09036	0.1
227.06931	0.1
237.09106	0.1
238.06468	0.1
239.07141	0.1
241.04999	0.1
243.06483	0.1
248.08395	0.1
249.07536	0.2
251.07089	0.1
251.10612	0.1
253.08574	0.2
256.07468	0.1
257.08124	0.1
259.06012	0.1
262.09933	0.1
263.10730	0.2
265.08682	0.2
266.05594	0.1
267.06305	0.1
267.08856	0.1
270.08771	0.1
271.09653	0.2
277.08554	0.2
278.09293	0.1
279.10175	0.2
280.07764	0.1
280.11008	0.2
281.08072	0.2
281.11682	0.1
282.08817	0.1
283.06183	0.1
284.06635	0.1
285.07562	0.1
285.10870	0.1
287.09225	0.1
291.10168	0.1
292.10815	0.1
293.08072	0.1
293.11655	0.1
295.10049	0.1
295.13306	0.4
296.13815	0.1
297.07892	0.1
297.11166	0.1
298.08322	0.1
299.09195	0.2
302.07996	0.1
303.08731	0.1
304.09402	0.2
307.09705	0.1
308.10388	0.1
309.07813	0.1
309.11264	0.2
310.08221	0.1
310.11700	0.1
311.08994	0.1
312.13669	0.1
313.10825	0.4
314.11288	0.1
315.12280	0.1
317.10187	0.4
318.10919	0.2
319.11401	0.1
321.11194	0.1
323.09335	0.1
323.12793	0.5
324.13470	0.1
325.10751	0.3
325.14267	0.1
327.15903	0.1
331.11594	0.3
337.14462	0.1
339.12219	0.2
340.13132	0.1
345.13211	0.2
353.13693	0.3
355.15414	1.8
356.15952	0.4
357.13284	0.3
358.13953	0.1
369.16968	0.1
370.17657	0.1
371.14850	0.5
372.15714	0.2
385.16455	0.6
386.16992	0.1
387.17993	2.2
388.18414	0.2
417.13287	0.1
421.12845	0.2
422.13318	0.1
435.14462	0.2
449.15906	0.4
450.16507	0.1
459.18100	0.6
460.18854	0.1
476.18500	0.1
491.20660	3.1
492.21024	0.3
653.25281	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18237	2.2
66.69948	2.0
66.88596	2.5
66.88940	2.5
67.05512	4.0
71.32457	3.4
81.07037	7.3
95.08574	3.8
105.07010	3.6
128.87257	2.5
133.10115	2.8
195.17480	4.6
200.34866	2.3
205.66701	2.5
267.15884	2.9
374.02554	2.5
380.20230	3.2
382.84930	2.3
391.18878	4.9
403.19983	3.4
405.20847	15.4
406.21185	10.7
419.22284	4.1
420.22751	7.6
421.23975	15.3
433.20184	5.3
436.18716	3.6
450.20294	4.8
465.22855	48.3
466.23190	4.5
473.19104	3.2
478.23343	2.7
479.24045	9.6
480.24667	4.2
487.21539	3.1
491.20572	2.7
501.21729	3.8
503.17093	2.9
503.24432	49.2
504.24875	5.5
507.26938	4.8
535.27020	45.7
541.39410	2.9
551.26080	4.0
579.26166	36.4
580.26129	5.7
594.28192	21.2
595.28473	4.4
621.26971	29.0
622.27081	3.8
653.29205	100.0
654.29034	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69583	0.6
60.28198	0.5
69.07047	0.7
69.18891	5.3
81.07059	1.3
83.04959	0.6
91.05489	0.8
93.07008	0.9
95.04984	0.8
95.08582	1.3
103.38732	0.6
105.07022	1.3
115.65232	0.7
119.08544	0.7
135.11662	0.5
145.10138	0.8
191.01778	0.6
209.10591	0.6
212.28906	0.6
245.10785	0.6
254.43324	0.7
314.16693	1.0
324.14859	0.8
326.16467	0.8
363.16656	0.7
364.18475	0.8
366.15823	0.8
372.13428	0.7
374.15125	0.9
376.16959	1.0
389.17514	3.2
390.18652	3.1
391.19019	3.0
403.19434	3.9
404.19962	5.6
405.15396	1.0
405.20743	16.1
406.21436	2.0
407.22308	0.9
414.22568	0.6
416.19864	0.8
417.21350	3.9
418.21875	3.3
419.22351	13.8
420.23087	5.7
421.23920	1.6
429.17175	1.1
431.23016	3.0
432.23120	2.1
433.17737	0.8
433.23837	9.1
434.18723	0.6
434.24582	4.4
435.17941	1.1
436.18497	0.7
444.19916	1.3
445.20197	2.0
446.20554	0.8
447.20667	4.6
447.26392	1.6
448.19244	1.1
448.26456	1.3
449.19568	9.2
450.20285	3.7
451.21143	0.8
459.21918	1.9
462.20807	1.1
463.21249	8.3
464.21948	5.9
465.22769	3.8
473.19348	1.7
475.20633	3.0
476.22516	0.8
477.22943	5.6
478.23688	4.4
479.24417	39.2
480.24713	4.7
486.20401	1.2
487.21320	6.1
488.22083	1.8
491.20334	2.3
491.24698	2.5
492.26044	3.2
493.25998	1.5
501.23129	4.0
502.23511	2.7
503.24628	1.3
505.25818	1.9
506.26477	0.9
507.27576	23.8
508.28018	2.8
518.23621	0.7
519.24164	3.7
522.22260	0.9
532.20514	0.8
533.25708	6.2
534.25665	1.1
536.24225	1.2
537.25018	11.2
538.25323	1.7
551.26544	36.5
552.26904	5.0
561.24921	9.2
562.25531	2.5
563.23596	1.4
565.28125	25.2
566.28839	100.0
567.29248	15.8
578.24951	0.9
589.23730	0.8
593.27625	14.3
594.27899	2.1
603.26056	1.0
621.27057	19.5
622.27588	2.5
623.24933	0.9
625.29877	0.9
635.28937	3.0
636.28363	0.7
653.29675	97.5
654.30109	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.3
57.07070	1.2
61.78626	1.0
67.05470	1.2
69.07066	1.5
71.30373	1.2
79.05498	1.7
81.07060	1.7
83.04990	2.1
91.05501	1.5
93.07066	2.5
95.08604	1.4
105.07019	2.7
107.08588	2.6
108.61946	0.9
109.10119	1.3
110.93119	0.9
118.06564	1.5
119.08572	2.7
120.08053	1.2
129.07013	1.2
133.10123	2.1
143.08554	1.1
145.10217	1.4
147.11734	1.6
157.10147	1.0
159.11745	1.0
168.08022	1.1
172.03976	1.2
207.09280	1.3
209.10768	1.4
210.11487	2.2
211.12267	1.6
221.10715	2.0
223.12369	2.6
224.13020	1.5
225.13950	5.3
235.08623	1.7
237.10172	1.8
237.13943	2.7
239.15520	1.0
249.10350	2.3
261.10001	1.0
261.13922	0.9
323.14523	1.0
337.12036	1.8
350.13058	1.5
352.14563	1.4
366.15851	1.8
387.16400	1.4
396.13394	1.2
397.14139	1.3
401.18201	1.2
402.18753	2.0
412.16360	1.1
417.16437	1.7
417.21191	1.9
426.17703	1.3
428.16351	1.5
429.16949	4.3
430.17789	2.9
431.18436	3.6
431.23245	1.6
443.18805	2.6
444.19785	2.7
445.20740	4.5
446.20837	2.8
447.21857	6.2
449.19955	1.1
454.17999	1.6
457.16519	1.3
459.22614	6.1
460.22681	1.6
471.18024	1.6
472.18744	1.8
473.18744	1.2
473.24185	1.4
474.20743	1.1
475.21097	4.2
487.21475	13.3
488.21680	3.8
489.56619	1.1
501.22702	5.4
502.22662	1.3
503.20248	1.6
515.20673	2.5
519.23956	4.8
529.22119	3.6
532.21204	1.5
533.25134	4.4
534.22797	3.3
547.23364	3.8
561.24982	100.0
562.25244	15.6
581.24243	2.4
589.24408	11.6
590.24359	1.7
593.30261	1.1
621.27051	95.3
622.27313	13.9
637.30219	2.2
653.32660	8.4
653.44666	1.7
654.33026	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	1.6
71.04958	2.4
71.32645	3.4
71.49990	1.5
78.92664	1.5
79.05483	2.1
81.07032	2.9
93.07014	2.4
104.96976	1.5
105.06993	2.7
145.10042	2.8
195.17458	1.9
203.17961	2.4
391.19138	8.3
392.19504	3.8
404.20285	2.1
405.20642	11.4
406.21597	12.5
407.22183	1.9
419.21774	5.1
420.22849	5.7
421.23856	12.7
425.13519	2.1
429.39636	1.8
433.19431	3.7
433.24512	2.3
434.24808	2.0
436.18631	3.6
445.19910	3.1
447.21802	2.7
449.19229	4.6
449.26050	2.2
451.20587	2.4
452.21500	2.8
460.22110	2.9
465.22812	46.6
466.22833	5.1
473.19135	2.2
479.24557	8.4
480.24673	6.1
488.21817	4.3
492.21432	3.1
503.24417	53.6
504.24951	10.3
507.27213	4.2
535.27094	41.8
536.26587	6.4
551.26135	5.2
561.24579	3.8
579.26031	39.5
580.25568	6.2
593.27136	2.5
594.28387	24.2
595.28259	3.0
621.27161	23.0
622.27515	2.8
653.29144	100.0
654.29425	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	14.4
54.22389	2.6
54.93322	2.4
55.01860	7.4
55.05519	35.7
56.60178	2.6
57.03439	22.4
65.03916	5.1
67.05506	79.1
68.05888	2.4
69.03426	26.8
69.07066	17.7
71.04988	7.9
73.02901	4.0
73.06542	4.0
79.05495	100.0
81.03419	99.2
81.03767	2.2
81.07055	73.0
82.07374	2.5
83.04984	37.5
83.08620	22.7
85.02912	25.7
85.06565	5.4
91.05479	98.0
92.05785	2.5
93.07043	83.2
95.04964	47.9
95.08606	35.1
97.02903	18.4
97.06529	9.0
97.10165	8.1
98.22604	4.7
99.04462	7.3
101.02357	2.9
101.44856	2.7
103.05479	2.8
105.04500	3.6
105.07030	64.4
107.04947	21.1
107.08598	23.3
109.02882	8.5
109.06498	9.9
109.10155	9.7
111.04447	7.3
111.08089	12.0
115.05444	8.2
117.07013	22.0
119.07795	2.9
119.08591	39.4
121.06507	7.7
121.10164	13.6
123.04433	3.8
123.08070	7.8
127.03938	7.6
128.06204	6.1
128.56206	2.2
129.05487	3.7
129.07019	33.4
130.07803	2.4
131.04893	3.8
131.08569	22.8
133.06500	6.3
133.10141	18.5
135.11653	5.2
137.09607	4.1
141.06969	6.1
142.07774	3.4
143.08572	18.5
145.06444	4.9
145.10123	22.0
146.10451	2.8
147.08073	4.9
147.11678	42.3
149.09607	7.6
155.08566	2.5
157.06491	3.9
157.10133	16.5
159.08104	4.1
159.11697	11.0
161.06036	2.7
161.09538	4.1
161.13203	12.9
163.11185	5.7
165.12714	6.6
167.08556	5.1
169.10144	3.5
171.08089	4.0
171.11682	31.6
173.04492	4.9
175.07455	2.4
175.11238	14.0
189.12758	10.7
193.12244	38.2
195.07982	2.7
201.16260	4.3
207.13783	29.4
211.13301	45.9
212.13588	2.6
229.14464	2.8
241.15860	3.6
259.16940	5.5
267.15912	28.1
269.15353	6.3
281.17462	68.5
282.17874	3.0
285.16953	20.5
287.16452	9.5
303.04965	11.4
333.16922	4.4
342.10757	3.1
410.47131	3.1
411.20099	3.5
425.21854	3.5
429.21240	6.5
430.49307	3.0
473.29059	60.9
474.29309	6.9
491.29877	24.3
503.19812	2.8
521.21747	5.3
635.34052	18.4
653.31726	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28682	3.8
86.09640	1.9
87.95570	0.6
89.78508	0.5
99.12316	0.6
106.36080	0.6
110.03280	0.5
124.99935	1.1
164.91916	1.1
177.52280	0.6
184.07350	4.6
185.04272	3.2
185.07623	0.9
230.41321	0.7
238.50444	0.6
255.86568	0.5
271.22235	0.7
491.31302	79.8
492.31686	8.7
527.98584	0.8
583.99683	0.6
653.36578	100.0
654.36957	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79437	1.3
55.05505	4.9
55.53824	1.6
60.98575	1.3
68.99805	1.4
69.50643	4.4
69.51052	3.9
83.04968	4.2
95.04934	2.1
105.03378	4.1
129.16275	1.7
147.14769	1.3
149.70613	1.4
161.69426	1.3
165.06982	3.3
167.08427	1.9
181.06512	2.8
183.08116	1.7
194.07285	4.7
195.08020	2.4
197.06023	2.6
198.06743	3.6
205.06544	3.0
206.07190	3.1
207.07906	2.5
208.05232	1.7
209.05978	2.3
209.09615	2.3
210.06773	2.9
211.07506	7.9
213.05373	1.5
213.09189	1.8
219.08121	3.2
221.05858	2.3
222.06796	7.4
223.07545	4.1
225.05504	5.6
225.09070	3.5
226.06293	7.5
227.07050	3.5
233.05943	4.2
234.06680	2.6
235.07530	5.5
236.04604	1.8
236.08282	3.2
237.05449	6.1
237.09030	8.5
238.06197	5.4
239.03418	2.1
239.07034	9.3
240.07693	6.1
241.04953	3.3
241.08595	5.5
242.09515	1.6
247.07585	1.6
249.05557	2.2
250.06258	11.1
251.06920	7.6
252.07736	5.5
253.04985	3.5
253.08548	5.7
254.05728	16.1
255.06387	4.9
255.10036	1.8
257.04474	4.0
262.06375	2.4
263.07034	4.1
264.07806	6.1
265.05011	2.6
265.08569	19.0
266.06033	2.6
266.09140	2.8
267.06531	11.3
267.10242	2.3
268.07257	7.3
269.04538	2.5
269.08020	9.0
270.08640	3.2
271.06000	6.5
271.09198	1.6
272.06760	1.7
277.08432	3.2
278.05759	3.3
279.06470	8.2
279.09698	2.1
280.07153	7.4
281.04425	4.1
281.08032	6.1
282.05170	4.6
282.08795	3.8
283.05927	10.1
283.09601	3.7
284.06836	11.0
285.04181	1.9
285.07495	5.6
286.08374	2.3
291.06412	4.4
292.07385	4.0
293.08035	22.3
294.05243	2.6
294.08795	4.6
295.05969	5.1
295.09616	8.0
296.06854	7.3
297.07523	19.1
297.11066	3.8
298.08286	11.2
299.05838	2.4
299.09003	13.0
300.06287	13.0
300.09793	3.8
301.07031	3.5
305.08063	1.9
307.06091	3.0
307.09583	4.3
308.06775	11.3
309.07529	15.4
310.08301	5.4
311.05673	2.2
311.09018	12.5
312.09735	2.3
313.07098	3.2
313.10538	3.4
314.07779	5.9
315.08636	40.8
315.12051	1.4
316.08994	3.8
321.07614	2.7
322.08389	4.5
323.09131	31.4
324.06326	2.3
324.09787	7.6
325.06989	7.2
325.10617	6.4
326.07727	5.5
327.08740	10.3
328.09210	2.7
329.10208	10.5
331.07828	2.1
336.06015	1.9
337.10620	5.0
338.11624	6.7
339.08585	8.5
339.12207	3.6
340.09384	7.3
341.10178	35.4
342.07248	2.9
342.10916	33.0
343.11792	8.7
351.08670	7.3
353.10098	4.1
354.10892	4.8
355.11749	100.0
356.12189	10.4
357.09686	23.1
358.10422	24.1
359.10886	2.9
365.10159	5.9
366.10815	8.0
367.11786	3.0
369.13309	18.9
370.13477	1.8
371.11084	17.1
371.14911	2.3
373.12491	8.7
373.16769	3.4
376.30533	1.5
383.11261	4.0
385.13165	1.8
397.12808	58.4
398.12918	7.0
415.13782	15.1
493.44421	1.5
554.14758	5.3
655.37451	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.9
69.08528	8.3
69.08942	16.3
83.04962	3.9
98.22563	6.5
165.07004	3.3
191.06589	2.6
194.07312	2.6
195.08069	4.1
197.05893	3.3
198.06853	3.6
205.06506	3.3
206.07257	2.6
209.06186	3.1
211.07617	5.7
221.06033	3.8
222.06773	5.8
223.07591	4.4
225.05486	3.8
226.06325	4.8
229.34564	2.7
233.06000	3.9
234.06581	3.3
235.07541	4.1
237.05481	3.5
237.09039	8.5
239.07022	11.4
241.08452	4.7
247.07446	3.7
250.06201	10.5
252.07649	3.6
253.04948	5.1
253.08592	3.5
254.05711	14.2
255.06451	6.4
256.92081	2.9
263.07053	3.7
264.07886	4.9
265.04916	3.9
265.08569	18.5
266.05734	6.4
267.06494	10.5
268.07190	8.6
269.08218	5.9
271.05981	6.7
279.06674	5.7
280.07458	6.0
281.04697	3.8
281.08087	10.4
282.05215	6.4
282.08969	3.7
283.05930	10.2
283.09674	4.2
284.06796	10.5
285.07492	4.4
293.08105	19.2
294.08658	3.9
295.06000	6.8
295.09390	5.5
296.06750	3.7
297.07553	11.2
297.10925	5.8
298.08182	10.5
299.09064	14.2
300.06311	9.1
307.09497	3.5
308.06711	9.6
309.07513	12.0
311.05707	3.0
311.09048	11.1
313.10760	4.5
314.07800	6.0
315.08618	40.0
316.09012	5.4
323.09143	23.4
324.09711	4.8
325.07013	6.3
325.10550	6.4
326.07663	3.6
327.08560	8.8
329.10089	12.6
337.10812	3.6
338.11429	4.1
339.08749	5.7
340.09418	8.0
341.10208	30.9
342.10910	30.2
343.11633	8.5
351.08737	4.4
355.11743	100.0
356.12070	9.0
357.09717	16.8
358.10397	22.2
365.09921	3.7
367.07794	4.0
369.13245	17.6
371.11340	15.1
373.12677	12.1
383.11151	3.8
385.12265	3.0
397.12811	58.9
398.12912	4.9
415.13611	14.9
554.14429	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.5
57.03439	1.2
57.07065	3.2
64.87231	1.1
65.03939	1.8
66.17245	1.3
67.05499	2.2
69.07110	1.3
70.65116	3.0
75.04485	3.3
81.07061	4.6
83.04982	4.2
85.06544	75.9
86.06870	2.2
91.97227	1.5
95.04975	2.0
105.03421	2.2
113.06007	10.7
117.05518	2.3
127.06736	1.3
127.07544	7.2
164.16769	1.1
165.06949	1.9
171.08139	1.3
173.08151	2.8
181.06497	1.4
183.08060	2.3
187.09665	31.4
195.08022	1.4
197.09668	1.8
198.06908	1.3
199.07555	2.6
210.06734	1.6
211.07576	4.3
212.08315	1.2
213.09032	2.6
221.05936	2.4
223.07596	3.3
224.04659	2.1
224.08249	1.9
225.05598	1.2
225.09070	2.5
227.07002	2.6
228.07823	3.9
235.07631	2.6
237.05423	2.8
238.06201	3.7
239.07010	17.8
239.10614	1.3
240.04160	15.2
240.07742	2.2
241.04742	3.0
241.08591	5.5
242.05772	2.2
243.02943	2.0
249.09073	2.4
250.06287	3.6
251.07013	7.4
252.04234	3.1
252.07774	3.5
253.05013	2.8
253.08582	7.8
254.05698	4.6
255.06496	2.6
255.10324	1.6
256.07324	4.1
257.08005	2.2
263.07065	1.8
265.05167	1.9
265.08582	3.8
266.05774	6.7
267.06531	100.0
268.03693	3.9
268.06979	9.6
269.07971	8.2
271.06061	2.0
271.09628	2.6
276.07614	1.3
277.08603	2.1
279.06552	5.2
279.09824	2.5
280.07248	4.1
281.04938	2.5
281.08057	22.5
282.05377	2.9
282.08466	2.1
283.05984	5.5
283.09665	6.2
284.06772	2.8
284.10110	1.6
285.07550	6.0
286.04767	15.0
287.05414	2.0
289.08636	2.3
291.06360	2.8
292.07242	1.4
293.08032	3.9
294.08823	5.4
295.06125	3.4
295.09644	6.4
296.06699	3.4
297.07568	42.3
298.08148	5.1
299.05579	4.5
299.09140	11.3
301.07068	27.3
301.10532	2.5
302.07541	2.0
305.07819	1.3
307.09613	2.6
309.07611	11.5
309.11047	1.8
310.08243	3.5
311.09082	14.5
312.09799	4.8
313.07053	11.0
313.10696	6.5
314.07855	13.8
315.08612	2.4
323.09030	4.6
324.09845	1.4
325.07147	2.8
325.10703	8.5
326.11221	1.9
327.08630	6.3
327.12112	2.3
328.09387	17.9
328.12991	2.1
329.10175	48.1
330.10767	4.8
334.08282	1.7
335.09222	5.9
336.09796	3.0
337.10684	7.7
338.07770	2.4
339.12335	4.1
340.09222	2.5
341.09988	3.6
342.11072	2.7
343.11749	17.0
344.12424	1.3
345.09781	3.6
351.08319	2.2
351.12271	19.9
352.09503	4.9
353.10437	6.5
354.10895	1.5
355.11792	8.4
357.13202	5.9
367.11774	18.1
368.12094	1.5
370.10507	13.9
381.13455	6.1
384.11841	2.6
385.12805	64.8
386.12854	6.5
403.13870	1.8
413.15936	73.1
414.16281	7.9
427.17490	3.9
431.12985	2.4
437.16168	1.4
441.18857	1.9
458.15683	2.7
469.18610	44.9
470.18787	5.5
487.19580	17.5
488.19958	2.3
515.19019	5.9
654.25714	4.2
655.26593	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09097	1.9
54.53259	2.1
55.05503	8.8
57.03431	2.0
57.07069	11.5
67.05508	4.8
69.07051	2.1
69.56338	10.8
75.04475	5.3
79.05495	2.3
81.07050	5.9
83.04964	7.5
85.06548	94.9
95.04984	4.9
105.03375	13.9
113.06000	20.3
127.07578	10.1
173.08176	2.6
178.09586	2.1
178.88301	2.0
183.08044	3.2
187.09662	48.2
199.07542	4.4
211.07565	7.2
213.05457	2.7
213.09073	4.0
221.05933	2.8
223.07506	2.7
225.09172	5.5
226.06380	2.8
227.07037	5.6
228.07689	3.6
235.07500	5.0
237.05424	2.9
238.06253	7.3
239.06932	15.8
240.04131	28.9
240.07640	3.5
241.04822	4.8
241.08615	9.1
242.05688	4.6
243.02925	4.1
250.06277	5.9
251.07098	10.1
252.04172	3.4
252.07878	3.8
253.04929	3.5
253.08614	14.5
254.05754	6.7
255.06543	5.3
255.09991	2.4
256.07333	6.0
257.04456	3.4
257.07782	2.1
263.07059	3.1
265.05157	3.1
265.08530	6.0
266.05743	10.0
267.03650	4.9
267.06534	94.5
268.03641	6.5
268.07047	14.2
269.08182	8.1
270.05338	5.0
270.08923	3.2
271.05984	6.9
271.09518	3.0
272.06775	2.6
273.07578	2.6
274.24048	2.5
277.08652	4.1
279.06488	8.6
279.10257	3.0
280.07321	9.1
281.04791	2.7
281.08090	47.9
282.05310	4.0
282.08609	6.2
283.06000	12.0
283.09564	10.6
284.06863	2.3
285.07581	18.4
285.10718	3.7
286.04761	24.3
287.05573	3.6
293.08051	6.2
294.08868	9.7
295.05997	9.4
295.09637	9.7
296.06708	4.5
296.09836	2.9
297.07617	50.9
297.11035	5.2
298.08069	6.4
299.05450	9.5
299.09122	14.2
300.06161	4.8
301.07031	33.5
302.07336	2.7
307.09555	3.5
309.07571	10.4
309.10941	3.9
310.08377	7.5
311.09088	45.5
312.09772	9.1
313.07031	32.5
313.10706	10.1
314.07730	14.3
315.08582	7.1
321.07535	2.9
323.09177	6.7
324.09821	2.4
325.07278	4.4
325.10678	13.7
327.08551	11.8
328.09335	44.3
329.10150	58.6
330.07095	3.1
330.10785	3.1
335.09174	8.4
336.09900	7.0
337.06860	5.6
337.10721	13.3
339.12067	3.2
341.10229	8.1
342.10739	3.4
343.11789	39.5
344.12198	3.5
345.09619	28.2
351.08371	2.6
351.12354	10.8
352.09335	3.5
353.10178	11.3
355.11700	7.5
357.13184	6.4
367.11761	47.5
368.12094	3.8
370.10486	18.2
381.13425	5.9
384.12094	2.5
385.12787	100.0
386.13315	10.2
395.14929	5.1
399.14539	3.6
413.15961	60.0
414.16257	5.9
427.17569	22.3
428.17853	3.6
431.13144	2.9
437.15564	3.0
451.17303	4.8
458.15625	11.6
469.18585	86.1
470.18881	8.3
475.15973	6.8
487.19522	35.9
488.19913	3.5
497.18021	2.9
515.18951	23.9
516.19336	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50752	1.9
55.05500	8.1
57.07065	5.4
58.09948	1.9
66.27896	2.0
67.05499	14.6
67.36726	2.0
69.07079	10.9
71.30732	2.0
79.05493	12.6
79.64693	1.9
81.07058	66.9
83.04973	8.5
83.08604	4.1
85.02943	2.1
91.05500	7.9
93.07059	18.9
95.04976	3.5
95.08607	36.5
97.10174	4.2
99.04482	5.3
105.07033	17.1
107.04945	2.3
107.08602	16.8
109.06522	4.1
109.10159	12.0
111.04450	6.4
111.08080	6.7
117.07033	4.4
119.08579	21.3
121.06508	6.3
121.10133	14.2
123.08064	9.8
123.11672	3.1
127.07500	2.3
128.06218	2.5
129.06978	3.2
131.08577	13.1
133.06479	5.4
133.10126	17.1
135.08061	7.2
135.11726	6.0
137.13251	10.2
139.07574	4.8
141.07036	2.6
142.07741	4.0
143.08569	11.5
145.06483	2.8
145.10085	15.1
147.08038	8.2
147.11661	7.8
148.08777	3.5
149.09595	5.9
155.08617	2.9
156.09367	2.7
157.10117	12.9
159.08058	2.1
159.11682	12.1
161.09636	10.7
161.13242	6.9
163.11159	3.9
166.70847	2.2
169.10139	6.3
171.11717	8.4
172.08844	2.4
173.04311	2.0
173.09639	11.3
173.13292	9.5
174.13809	2.3
175.11256	5.0
175.14915	2.8
177.12727	3.0
181.10147	4.1
183.11722	7.3
185.09633	2.3
185.13292	6.9
186.10493	2.9
187.11145	8.0
187.14777	2.9
189.12759	8.5
191.17952	4.9
193.10048	3.1
195.11714	4.3
197.09653	2.8
197.13232	7.6
199.11078	3.3
199.14769	4.4
201.12781	12.6
203.10641	2.2
205.12321	3.6
208.11946	2.1
209.13301	6.7
211.11070	3.4
211.14847	3.5
213.12723	2.4
215.14391	2.9
217.12218	2.7
219.13840	5.4
221.13268	5.0
221.15363	3.6
223.14922	4.9
225.12779	3.3
227.14284	4.5
229.12209	3.7
231.13727	2.9
233.15317	2.8
235.14677	3.1
237.16391	2.9
238.17903	2.5
239.14348	2.5
239.18039	2.3
241.15831	3.2
243.13763	3.0
245.15483	4.1
253.15839	3.6
265.14178	2.9
267.17361	3.3
273.18436	2.6
277.15796	2.2
279.17368	2.5
281.19153	2.7
283.16879	2.7
305.18918	2.6
307.20679	3.6
323.20023	4.4
333.18246	2.1
333.22107	2.8
405.27826	6.1
407.26093	3.1
409.23230	3.0
419.29202	3.5
425.26987	3.1
429.27887	10.7
447.29037	34.7
448.29300	4.0
465.30008	100.0
465.35794	4.5
466.30466	15.0
483.24344	3.6
483.31085	74.4
483.37985	4.4
484.31256	9.2
501.32132	13.2
502.32214	2.5
525.18762	2.6
622.26929	3.6
654.43475	2.8
655.39844	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89121	5.5
55.05508	17.1
56.01643	6.1
67.05511	18.4
69.07062	12.3
71.32755	7.7
75.57832	5.4
79.05496	18.0
81.07058	74.8
83.04981	11.4
83.08595	10.0
91.05463	11.8
93.07040	29.1
95.08579	46.3
99.04456	10.5
105.07041	21.3
107.08605	18.5
109.10136	16.9
111.08089	7.5
119.08577	24.0
121.10137	26.7
123.08083	21.7
131.08572	18.4
133.10121	8.5
135.08066	6.3
135.11726	7.9
137.09642	6.4
137.13275	12.2
143.08517	9.1
145.10104	39.9
147.07983	7.6
147.11737	15.9
157.10124	12.1
159.11707	20.0
161.09509	7.3
161.13202	7.7
169.04176	6.9
169.10239	9.0
171.11697	22.6
173.09680	7.5
173.13243	11.1
175.11205	7.8
183.11699	9.7
191.17903	11.3
197.13281	8.6
199.11115	10.1
201.16409	37.0
203.17981	9.7
209.13383	8.8
219.17447	19.5
235.14796	6.2
279.17477	8.6
297.18533	8.3
370.17480	9.2
387.17822	13.1
401.19415	9.9
405.27728	8.7
447.28687	26.3
462.78094	6.9
465.29944	93.6
483.31107	100.0
484.31836	13.3
501.32245	53.6
562.25476	7.7
581.23743	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.0
51.34088	1.0
53.03946	8.0
55.05514	15.5
59.06139	1.2
62.35798	1.1
67.05504	5.0
67.14819	1.0
69.03440	1.1
69.27802	1.1
79.05498	4.2
81.03430	1.2
81.04340	1.1
81.07057	4.0
81.56819	1.2
83.04981	13.5
91.05514	2.5
93.07034	3.2
95.04965	11.0
95.08626	2.1
97.10180	2.0
100.54115	1.0
105.03393	91.3
105.04543	5.1
105.07041	3.8
106.03752	2.3
107.08585	2.9
109.06493	1.4
117.07020	2.4
119.08617	1.6
125.09669	1.2
131.08597	1.7
133.10117	2.7
145.10216	1.8
159.11772	1.6
180.49405	1.1
185.04265	1.9
205.06514	1.3
209.09650	1.1
235.07680	1.3
249.09053	1.4
251.07069	1.2
253.08607	1.5
253.81512	1.3
263.07147	2.3
265.05017	1.3
265.08640	2.9
273.18539	2.5
276.07870	1.9
277.05145	1.4
277.08710	3.0
278.05679	1.4
279.06570	2.5
280.07471	1.4
281.08167	1.3
291.06589	2.7
291.19534	3.9
292.07373	3.0
293.08212	3.2
294.05173	1.5
295.06290	1.6
295.09753	1.7
303.06567	1.7
305.08200	2.7
307.06149	1.6
307.09500	2.4
309.07648	2.3
309.11288	2.1
311.08853	1.3
313.07205	5.0
319.06036	2.2
321.07642	2.3
322.08365	1.4
323.09131	2.1
325.06790	1.2
325.10742	1.5
333.07666	1.3
334.08194	1.3
335.09308	3.4
337.10703	2.7
338.08167	1.4
339.08627	2.4
339.12344	2.2
350.82245	1.2
353.10373	3.0
364.09406	2.2
365.10391	3.7
367.11935	3.1
377.10254	1.9
395.11380	4.5
533.12762	1.3
541.09204	4.9
556.11224	1.3
638.21350	1.6
655.15759	100.0
655.37964	12.5
656.16046	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1863
Annotation	Syringetin 3-robinobioside
Peak:m/z	Relative Intensity
55.05489	0.3
57.03430	2.3
61.02917	1.6
68.99775	0.4
69.03410	0.8
71.04990	12.4
71.30303	0.5
71.92262	0.3
73.02929	0.6
73.65283	0.2
75.04455	0.4
79.05489	0.3
81.03425	0.5
83.04970	0.8
83.51952	0.2
85.02901	16.0
87.04489	0.3
91.03935	0.6
97.02908	0.8
99.04469	0.3
103.05474	0.2
105.03410	0.3
109.02898	0.3
111.00792	0.3
111.04410	0.5
121.02880	0.8
126.03153	0.3
127.03890	0.5
129.05481	3.4
131.56885	0.2
135.94437	0.3
137.02319	1.1
137.05956	0.3
139.03889	3.3
145.04971	0.3
147.04376	0.3
147.06485	1.6
149.02267	0.3
150.03104	0.5
153.01820	4.4
153.05467	4.0
154.06136	0.3
163.03928	0.4
165.01862	2.1
167.07022	0.6
168.07361	0.3
177.34323	0.3
178.02568	0.4
181.04893	1.5
183.02849	0.6
207.06508	0.7
213.05478	0.6
229.04904	0.9
230.05708	0.7
231.06584	0.8
241.04971	0.5
244.03630	1.0
255.02971	0.3
257.04419	1.0
258.05200	4.0
259.05988	2.4
261.03949	0.6
269.04483	1.1
271.75626	0.3
272.03015	0.5
283.02280	0.5
284.03003	0.4
285.03976	1.4
286.04724	3.9
287.05466	8.1
288.05841	0.6
289.03406	0.8
291.08536	1.5
300.02524	0.5
303.04944	2.1
304.05814	0.4
314.04156	1.1
315.04965	2.5
316.05548	0.5
317.02884	0.4
318.07138	0.7
331.04471	4.5
332.05106	2.8
347.07596	100.0
348.07913	7.3
389.08774	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60992	0.3
53.03946	4.0
55.05511	86.5
55.73648	0.3
56.05844	1.2
59.05004	0.8
65.03941	1.0
67.05499	3.4
68.99794	0.5
69.03431	4.9
69.07063	1.4
71.04997	1.2
76.29526	0.3
79.05492	8.3
81.03402	1.0
81.07055	34.4
82.07380	0.4
83.04979	100.0
83.08673	0.4
84.04904	0.3
84.05299	1.8
85.02885	0.8
91.05473	7.2
91.06010	0.7
93.07043	3.9
94.31396	0.3
95.04974	3.6
95.08035	0.6
95.08604	7.5
97.02894	3.5
97.06527	1.6
98.23497	0.5
99.04456	2.1
103.05463	0.9
105.03352	0.5
105.07019	5.1
107.04939	1.4
107.08599	5.6
109.02860	1.2
109.06516	16.1
109.10089	0.5
110.06821	0.4
111.04433	2.2
111.08074	1.5
115.05464	1.8
117.07036	2.9
119.04935	1.5
119.08573	2.9
121.06485	3.0
121.10158	0.4
123.04391	0.4
123.08056	5.1
125.05949	1.3
125.09599	1.3
127.03882	1.0
128.06221	4.1
129.06989	3.0
130.07759	0.5
131.04962	1.8
131.08566	3.4
133.06485	4.1
133.10112	1.4
135.04413	0.5
135.08058	2.7
137.05974	41.5
138.06302	1.4
139.07521	0.8
141.06982	3.1
142.07722	1.4
143.08549	5.1
144.05685	1.0
144.09265	0.3
145.06485	13.4
145.10115	1.6
146.07169	0.5
147.04395	0.5
147.08055	4.4
149.05963	1.5
149.09555	0.4
151.07503	1.3
152.06175	1.0
153.05446	3.9
153.06956	2.9
153.09077	3.4
154.07735	1.1
155.04913	0.4
155.08536	5.5
156.05716	0.4
156.09325	0.5
157.06479	4.1
157.10100	3.2
158.07233	0.9
159.04398	0.9
159.08063	5.7
161.05969	1.3
161.09578	1.5
163.07545	2.1
165.06955	3.9
165.09050	0.8
166.07773	1.8
167.07047	1.1
167.08537	3.7
168.05676	0.3
168.09299	1.0
169.06479	3.7
169.10101	2.4
170.07211	1.5
171.06612	0.6
171.08038	10.6
171.11600	0.6
172.08443	0.6
173.06003	2.1
173.09612	1.7
174.06749	0.4
175.07558	2.5
176.08101	0.4
177.09114	0.9
178.07773	3.2
179.07028	0.4
179.08531	5.0
180.09267	1.3
181.06441	2.2
181.10059	3.6
182.07285	2.4
182.10794	0.5
183.06442	0.5
183.08067	9.2
183.11665	1.5
184.08850	1.8
185.05922	1.1
185.09605	4.5
186.10083	0.5
187.07516	3.8
187.11092	0.6
189.07022	0.8
189.09087	1.3
190.07710	1.6
191.07011	0.5
191.08548	3.5
192.09367	2.4
193.06519	0.5
193.08589	0.7
193.10089	5.4
194.07216	1.0
194.10863	1.2
195.08041	6.0
195.11653	1.8
196.08855	1.9
197.05960	1.2
197.09605	5.8
197.13208	0.7
198.10313	0.7
199.07518	4.8
199.11070	0.9
200.08115	0.5
201.09102	1.7
202.07858	2.2
203.08575	4.3
204.09361	3.4
205.06525	1.0
205.08389	0.5
205.10129	6.3
206.07140	1.2
206.10844	1.5
207.08078	3.4
207.11658	3.5
208.08839	2.3
208.12265	0.5
209.06039	0.4
209.09613	5.7
209.13185	1.4
210.10289	1.4
211.07593	2.6
211.11182	3.8
211.14647	0.3
212.08231	0.6
212.11823	0.5
213.09093	2.2
213.12706	0.9
215.06770	0.5
215.08522	2.1
215.10666	0.9
216.09375	2.3
217.08586	0.4
217.10159	4.3
218.07191	1.1
218.10870	2.1
219.08109	3.8
219.09798	0.5
219.11705	4.3
220.08868	2.9
220.12286	1.5
221.07661	0.6
221.09622	8.1
221.13069	2.4
222.10233	2.1
223.07454	1.3
223.11177	3.7
224.08109	0.9
224.11821	0.8
225.09105	2.5
225.12675	2.1
226.09708	0.8
226.13353	0.5
227.08681	0.7
227.10629	1.5
228.09317	1.1
229.10226	3.6
230.10873	2.2
231.08177	1.8
231.11771	3.4
232.08813	3.8
232.12372	1.1
233.09631	8.1
233.13174	2.0
234.10292	3.0
235.07471	1.5
235.11168	6.6
235.14774	1.5
236.08226	0.9
236.11882	2.1
237.09158	3.7
237.12720	3.8
238.09717	0.8
238.13318	0.6
239.08725	0.4
239.10699	2.1
239.14211	0.6
241.10016	1.1
241.12161	0.6
242.10881	2.8
243.07906	0.7
243.10034	1.4
243.11815	1.1
244.08836	0.9
244.12378	0.7
245.09630	5.5
245.13441	1.7
246.10400	4.0
246.13031	0.4
246.14005	0.5
247.07423	0.7
247.11211	7.8
247.14799	2.2
248.08267	0.9
248.11894	2.8
249.09061	3.1
249.12761	4.9
250.09756	0.6
250.13373	1.0
251.10735	3.4
251.14345	2.5
253.08293	0.5
253.12163	1.5
255.10007	0.5
255.13770	0.6
256.08777	0.5
256.12476	0.8
257.09540	1.9
257.11325	0.4
257.13150	2.2
258.10211	1.7
258.13760	0.4
259.11316	3.7
259.14627	1.3
260.11957	3.4
261.09073	1.7
261.12625	4.8
261.15643	0.5
262.09732	1.3
262.13348	1.1
263.10556	4.3
263.14188	3.9
264.11505	2.4
264.13983	0.6
265.08679	0.4
265.09161	0.4
265.12109	3.9
265.15744	1.7
266.12811	1.1
267.10062	1.7
267.13718	1.2
269.09250	0.7
269.11780	0.7
270.10263	1.3
271.11230	1.6
271.14709	0.6
272.11975	2.3
273.08929	0.8
273.12909	3.4
274.09674	0.6
274.13361	1.5
275.10556	3.2
275.14166	7.3
276.11343	1.6
276.14786	1.2
277.09161	0.5
277.12491	3.2
277.15610	3.2
278.12836	0.9
279.10025	1.3
279.13821	1.9
281.11697	4.9
281.14923	0.6
282.12332	0.6
283.10831	1.0
283.13327	0.9
284.11786	1.1
285.09381	0.6
285.12805	5.3
286.09839	0.6
286.13248	0.9
287.10959	0.6
287.14151	4.1
288.11356	0.7
288.14877	0.9
289.09280	0.4
289.12155	2.5
289.15726	1.6
290.12772	1.2
291.10486	0.7
291.13647	3.4
292.14215	0.8
293.11636	3.5
293.15234	3.0
294.12393	0.5
295.13177	1.9
295.16666	0.6
297.12683	0.8
298.13364	0.7
299.09830	0.5
299.13229	1.4
300.11362	0.7
301.12122	2.3
302.12814	1.0
303.10248	0.6
303.13727	7.2
304.14172	1.6
305.11603	0.9
305.15219	4.1
306.15891	0.6
307.13431	0.7
307.16779	0.8
309.11139	1.3
309.14716	1.2
311.13245	0.6
313.14377	0.6
315.14001	2.8
316.14081	0.4
317.11710	0.9
317.15201	1.6
319.13132	1.1
321.11179	0.8
321.14700	3.2
322.15482	0.8
323.12817	1.1
323.16290	1.1
325.11725	0.5
327.13785	0.6
327.17215	0.8
331.13144	1.3
333.11377	0.5
333.14822	2.8
334.79004	0.4
335.12704	0.9
335.16251	1.1
336.17282	0.4
337.14478	0.4
339.12302	0.9
339.16360	0.5
341.13733	0.8
343.13104	1.0
345.14297	0.6
346.13748	1.1
347.12634	0.5
347.16370	0.7
349.14188	1.0
349.18051	0.6
351.15942	2.3
353.17560	0.6
355.16791	0.6
357.13239	2.6
357.18204	0.8
359.16370	0.8
361.14145	1.6
361.18027	0.7
363.15616	1.4
363.19604	0.6
367.15515	0.8
369.16702	1.2
371.16034	1.3
373.14038	1.0
373.17773	3.2
374.18341	0.7
375.15375	0.8
375.19479	1.4
377.17319	0.6
379.15445	1.6
380.16125	1.9
381.16144	0.6
383.16339	2.3
384.16809	0.6
385.18054	2.2
387.15668	1.1
387.19952	0.6
389.17343	1.4
391.14413	0.7
391.15906	0.8
391.19431	3.6
392.19403	0.7
393.16473	0.9
393.20737	0.6
395.16226	0.7
397.16388	2.9
399.15692	1.0
401.17505	21.7
402.18121	6.9
403.19058	5.1
405.20721	0.8
407.18118	0.9
409.20105	0.7
413.17322	3.5
415.19067	1.7
417.16495	1.5
419.18561	27.0
420.18985	5.0
421.14944	0.4
421.20105	5.0
422.20203	0.8
423.16141	0.4
431.18506	8.7
432.18582	1.0
433.20325	3.0
437.19781	4.1
438.19586	0.6
439.21368	0.5
441.16791	1.9
449.19550	10.9
450.19531	1.2
451.20767	1.0
459.17950	4.2
467.13879	0.4
467.20621	8.8
468.20508	1.3
477.19086	11.2
477.66705	0.4
478.19028	0.8
479.20120	1.2
480.20514	0.6
485.21472	0.6
495.20142	16.8
496.20663	2.1
501.22308	0.4
511.19452	0.7
512.19922	1.3
513.21094	2.2
519.22974	0.4
527.22119	1.3
531.23804	0.4
549.24530	2.1
550.24445	0.6
567.25641	3.0
568.26019	0.4
577.23773	0.4
595.25189	3.0
609.26611	0.8
627.27008	0.5
655.27460	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.6
55.05504	6.3
57.07076	7.1
67.05504	1.5
69.07054	1.3
69.48394	7.2
79.05510	1.6
81.07078	2.1
83.04981	32.3
83.67922	1.3
84.05316	1.4
85.93988	1.1
91.05466	3.5
95.04975	2.1
97.71563	1.1
98.98450	2.3
105.03414	6.8
105.07031	1.9
119.08598	2.3
121.10159	2.5
128.06206	4.5
129.06996	4.7
132.07953	1.2
145.06480	1.3
147.08022	2.8
147.11691	6.9
149.70770	1.3
151.01564	1.3
169.07674	1.4
169.56480	1.1
175.01587	15.8
181.02611	24.5
185.13177	1.7
185.56583	1.3
197.10805	1.6
209.10677	2.0
223.12347	2.1
224.12799	1.4
227.04633	7.3
234.11447	1.5
235.12189	2.5
236.12816	1.7
237.13875	3.9
238.14639	2.4
239.15421	2.0
247.12331	1.6
249.13582	1.4
251.15356	4.1
257.05698	1.5
279.14914	1.5
283.11069	1.7
313.11975	14.8
369.18213	7.2
381.20770	2.0
388.17291	1.4
389.17838	2.6
391.19370	1.5
393.21176	1.7
395.18475	1.8
403.19226	3.4
404.19937	3.2
406.18112	2.9
407.18719	2.7
417.20895	3.4
418.21536	2.7
419.22473	2.1
421.20148	3.0
432.23090	2.0
433.16327	3.9
433.23767	4.6
434.17303	3.8
435.22064	2.0
445.19946	1.3
447.17902	3.3
448.18875	4.8
449.19733	5.1
457.23831	2.3
460.22586	1.5
461.19153	3.0
462.20822	2.6
463.21414	17.3
464.21594	3.4
469.25650	1.7
475.21182	2.8
476.21747	4.4
477.18445	11.0
479.24606	4.0
480.21335	1.9
487.21133	2.7
491.19849	2.1
491.24780	4.4
492.24725	3.9
501.22849	8.2
502.23099	2.0
505.25223	1.7
507.20114	2.8
509.25610	2.5
514.26215	1.6
521.21606	2.3
529.27930	1.7
533.25555	8.0
534.25586	1.6
535.23242	5.9
536.23627	3.4
543.19061	15.4
547.23407	3.9
550.25476	5.4
551.26184	7.5
553.24274	2.8
554.24207	1.3
561.24542	4.1
565.28113	57.3
566.28369	7.9
577.24261	3.1
578.24658	2.2
579.26178	10.8
583.28870	7.1
585.26526	5.0
593.27332	9.5
595.25311	9.1
599.25299	29.3
600.24957	2.4
609.27045	20.7
610.27136	3.5
611.28687	6.1
613.26672	14.2
623.24835	9.3
637.26544	7.1
655.27448	100.0
656.27887	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.05513	5.2
56.38205	0.9
57.07076	4.7
59.05043	0.8
61.73737	0.8
67.05499	1.6
69.07059	1.5
69.28516	5.2
69.61568	0.9
71.04990	1.2
79.05493	1.2
81.07056	1.7
83.04981	25.0
91.05467	3.1
93.07056	2.1
95.04982	1.3
95.08589	1.5
97.06583	0.9
98.98473	2.7
105.07033	2.8
107.08564	2.1
109.10165	1.1
118.85129	0.8
119.08556	1.2
121.10126	1.0
128.06248	1.4
129.07001	4.0
133.10121	1.4
145.06355	1.2
145.10179	1.0
147.08003	2.5
147.11667	3.7
153.05457	0.8
157.07683	1.5
157.10191	1.3
163.45178	1.0
163.75302	0.9
175.01566	11.0
181.02612	18.3
210.11624	0.9
223.12384	2.2
224.12961	1.6
225.13736	1.0
226.14540	1.0
227.04625	6.1
228.48294	1.0
235.12270	1.0
237.13919	2.4
238.14664	2.1
239.04831	1.1
239.15469	1.7
247.12402	0.9
249.13850	1.1
251.15532	1.6
257.05716	1.6
261.13797	1.2
303.14771	0.9
304.15570	0.9
313.11960	10.3
345.14893	1.0
361.14731	1.1
364.17276	0.9
366.19485	0.9
369.18082	5.6
377.17538	2.4
378.18741	1.2
379.19751	1.2
389.17627	1.5
390.19205	0.9
391.14996	1.0
391.19519	1.6
393.20895	1.0
403.19168	2.4
404.20676	1.7
405.21033	1.8
406.17941	1.2
415.19205	1.2
416.20242	1.9
417.20636	3.0
418.21658	1.9
419.22717	2.2
420.19598	1.9
421.20175	2.5
429.16077	1.0
431.18228	1.5
432.23364	1.3
433.15952	1.8
433.24579	4.3
434.17221	1.6
435.22205	2.0
436.22348	1.4
445.20209	1.9
447.17703	1.5
448.18903	2.8
449.19000	5.2
459.22015	1.9
461.19458	2.1
462.20319	3.0
463.21387	15.0
464.21460	2.6
467.20294	1.6
471.18036	1.0
473.23663	1.4
474.24094	1.1
475.16922	1.5
476.21768	3.7
477.18283	9.7
478.18762	1.2
479.24399	2.8
480.21472	2.4
481.22449	1.2
486.20523	2.2
487.21323	1.8
488.21487	1.2
491.20251	2.6
491.24384	3.2
492.24762	3.2
493.17892	1.3
501.22983	8.6
502.23651	2.0
506.26871	1.7
509.24612	1.2
518.23663	1.0
519.23615	1.1
521.22504	1.1
523.26672	1.6
529.28412	1.2
533.25549	9.6
535.23224	6.5
536.23816	3.2
543.18896	10.2
547.23352	2.8
549.21710	1.5
550.25836	6.0
551.26453	8.6
553.23981	2.9
561.24713	4.0
563.22742	1.8
565.28149	56.2
566.28638	7.6
567.25208	1.2
568.24908	1.2
577.24719	1.5
577.71436	1.1
578.25153	3.3
579.25916	9.8
581.24017	1.8
583.29156	8.5
585.26685	2.4
593.27734	8.0
594.24786	2.7
595.24921	4.6
599.25287	21.6
600.25372	2.2
609.27045	18.2
610.26807	3.4
611.28589	6.7
612.26007	2.6
613.26117	7.8
614.27087	1.3
623.25238	9.5
624.25281	1.3
627.28046	1.1
637.26782	5.0
638.25885	1.4
655.27478	100.0
656.27856	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22670	0.8
54.90431	0.9
55.05500	1.0
67.05506	1.8
69.07093	0.9
73.45885	0.8
75.04484	21.2
79.05475	1.2
81.07053	2.2
81.18059	0.8
82.54980	1.0
91.05477	1.5
93.07020	1.3
95.08613	1.3
98.23121	4.7
105.07002	1.0
107.08604	1.0
109.10161	1.7
121.10189	1.1
150.37524	1.0
228.74794	0.9
391.19403	1.8
404.19858	1.3
405.16916	1.9
405.21429	1.3
407.22318	2.4
419.18524	2.5
420.19196	1.5
421.20334	1.1
433.20712	5.1
434.21051	3.8
435.21948	7.0
447.18182	3.7
448.18762	1.8
449.19244	1.2
456.40051	0.9
461.19366	12.1
462.20267	6.6
463.21432	3.4
464.21826	1.0
466.20007	1.1
475.21625	1.6
479.20779	1.3
489.22659	1.5
493.22275	1.5
495.23834	1.4
499.17694	1.0
507.24274	2.1
508.24792	3.0
509.25192	2.1
521.25336	3.7
522.25867	1.3
533.21820	1.3
548.23999	1.2
549.24927	12.7
550.25354	2.4
553.24994	1.2
563.26556	1.3
576.23615	1.6
581.27771	1.4
595.29272	7.6
596.29144	2.5
608.25970	1.5
609.27148	3.6
623.28461	3.7
633.82593	0.9
650.84363	1.1
655.31207	100.0
656.31573	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
57.52039	0.3
67.05496	0.7
69.07057	0.3
75.04482	0.4
79.05477	0.3
81.07039	1.1
83.04958	0.3
83.86719	0.3
91.05492	1.1
93.07044	0.9
95.04929	0.5
95.08610	0.5
105.07004	0.6
107.08582	0.7
117.07003	0.3
119.08577	0.7
121.10176	0.4
137.05977	0.4
143.08511	0.3
145.10176	0.4
157.10094	0.3
159.11717	0.3
185.04196	0.5
275.20096	0.3
291.19492	0.6
315.10022	0.3
342.82242	0.3
377.17270	0.4
378.18341	0.3
390.18280	0.3
391.19196	1.6
391.30371	0.3
392.19882	0.8
393.20731	0.6
395.15253	0.4
396.36456	0.3
404.20471	0.4
405.16476	1.8
405.21146	0.7
406.17340	0.7
406.21851	0.6
407.18073	0.5
407.22397	4.7
408.22839	0.7
418.17728	0.8
419.18118	3.3
419.23297	0.4
420.18658	1.5
421.19974	1.6
432.18918	0.4
433.15161	0.4
433.20636	5.5
434.21011	4.6
435.21878	8.7
436.22366	1.7
446.20834	0.5
447.17926	2.3
447.22348	1.2
448.18472	1.3
448.22897	0.8
449.19070	2.1
461.19635	1.7
461.24475	0.6
462.20273	4.3
463.21045	4.6
464.21692	0.8
465.22638	0.6
475.21393	1.8
476.22168	1.4
477.23001	1.6
478.23807	0.4
479.20547	0.5
489.22668	0.9
491.20450	0.4
493.21417	0.7
493.32529	1.6
494.22903	0.4
495.23755	1.0
505.22195	0.4
507.19397	0.7
507.23889	0.4
508.24786	2.0
509.25314	2.1
510.25766	0.4
519.23041	0.3
521.25635	10.9
522.25488	1.7
535.26965	0.5
536.25293	0.3
547.26990	0.5
549.24969	16.8
550.25275	3.0
553.25195	0.5
563.26776	2.6
564.26935	1.0
566.25177	0.3
567.26282	0.5
570.82202	0.3
577.24323	0.6
579.25659	0.3
581.27716	3.1
582.27863	0.4
594.27454	0.3
595.29333	9.3
596.29291	1.2
607.28778	0.4
608.28656	0.3
609.27032	10.2
610.27240	1.9
623.28442	1.1
655.30890	100.0
656.31250	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.0
53.03944	8.3
55.01873	15.0
55.05510	27.4
56.04868	0.6
57.03437	16.7
57.07080	6.4
59.05000	1.7
60.48876	0.8
61.02926	1.2
65.03939	4.4
67.05506	49.6
68.05847	1.3
69.03431	28.4
69.07076	10.9
69.74090	3.2
70.04207	0.9
71.01352	3.3
71.04992	7.1
73.02922	4.7
79.05495	43.2
79.57495	0.7
80.05827	1.0
81.03419	100.0
81.07058	39.0
82.03751	1.9
82.04209	1.8
82.07397	1.1
83.01355	1.3
83.04980	22.5
83.05461	1.5
83.08621	19.1
85.02906	22.4
85.06550	3.6
91.05481	44.9
92.05787	0.9
93.07043	26.3
94.04209	1.2
95.04971	35.0
95.08606	16.7
97.02894	31.0
97.06522	7.1
97.10171	11.7
98.07318	1.8
98.22742	0.9
99.04448	8.9
99.08084	2.2
100.02193	0.8
101.02384	1.6
103.05480	1.7
105.04520	2.3
105.07030	23.4
107.04958	14.3
107.08601	14.6
109.02885	14.1
109.06526	6.8
109.10158	15.3
110.10523	0.8
110.86731	0.7
111.04443	13.3
111.08079	10.0
113.05998	2.9
113.74672	0.7
115.03922	3.7
115.05453	1.9
116.04718	1.1
117.07008	6.5
119.04962	1.7
119.08584	21.6
121.06510	5.9
121.10148	11.1
123.04442	6.8
123.08054	5.2
123.11716	3.8
125.06017	2.5
125.09632	9.7
127.03922	8.4
127.07560	0.9
127.11215	2.8
128.06218	2.1
129.05521	4.3
129.06995	12.8
129.48877	0.8
131.04921	1.2
131.08554	13.0
131.09479	0.9
133.06494	4.0
133.10138	10.8
135.04413	5.4
135.08072	2.8
135.11710	6.2
137.05966	3.7
137.09615	3.7
139.03914	1.1
139.07564	1.3
139.11143	0.9
141.06982	1.6
142.07805	1.9
143.03372	1.9
143.08606	1.5
143.10706	0.9
145.05017	1.2
145.06512	2.2
145.10126	9.3
147.04445	1.1
147.08035	5.1
147.11687	17.3
149.06030	1.3
149.09622	7.7
151.07561	1.5
151.11217	1.5
153.05518	2.8
153.12756	2.9
155.08577	1.8
155.10666	0.9
157.08803	1.4
157.10117	12.1
158.05792	1.0
159.08044	1.0
159.11655	1.9
161.05957	1.5
161.13257	0.8
163.04004	1.0
163.07578	0.7
163.11183	8.2
165.05510	0.8
165.12729	4.2
169.10121	1.6
171.06540	2.1
171.08070	1.2
171.11588	1.1
172.12274	0.8
173.04506	7.3
173.05949	1.4
173.09660	1.9
173.11755	2.3
175.11189	12.8
176.11584	0.7
181.12221	5.5
183.06570	2.4
185.08115	0.7
185.13377	0.8
187.11176	1.1
189.11243	3.0
191.10666	5.4
193.12245	34.1
194.12605	1.8
199.05962	3.8
199.13376	2.6
201.05292	0.8
201.14874	1.6
205.12280	1.1
209.11658	6.7
211.11270	1.9
211.13286	34.4
212.13745	1.7
221.09515	0.8
223.13243	1.2
226.09995	1.5
227.12761	9.3
229.14342	6.3
235.13351	1.0
247.13400	1.0
249.14890	1.6
255.13747	0.9
255.16049	1.0
257.11777	1.8
257.71234	0.7
261.14786	0.8
265.14316	0.9
267.15918	10.4
283.15466	5.8
285.16992	7.2
289.14447	1.4
301.16605	2.7
307.15231	0.9
313.16611	1.1
325.16516	1.0
327.19717	1.8
337.16470	1.9
353.16098	0.8
355.17551	1.3
409.25967	0.7
411.20313	1.8
411.27838	1.1
419.18427	2.0
421.25754	6.4
427.19638	1.8
439.26797	5.3
447.27682	1.0
461.19818	0.9
467.26740	0.8
475.27078	2.0
476.27802	1.3
483.22275	0.8
493.27759	9.2
511.29486	1.1
621.33240	0.8
637.32275	1.8
638.32220	1.1
655.33575	15.6
656.33752	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33680	0.6
57.02521	0.9
60.69360	0.6
71.32136	0.7
71.32541	1.0
71.83311	0.5
85.19671	0.6
89.18129	0.6
119.08598	0.7
137.05997	0.9
137.11938	0.5
155.63554	0.6
185.04214	10.0
248.08134	0.7
493.32867	37.5
494.27020	0.8
494.33008	4.0
623.28412	1.0
655.38141	100.0
656.27917	0.6
656.38452	14.1
683.19495	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90177	1.4
52.74009	1.3
53.03947	2.8
55.01870	5.3
55.05271	2.0
55.05512	27.1
56.05836	1.7
57.03443	3.1
59.05005	1.4
61.02923	4.1
67.05505	23.6
69.03419	4.1
69.07074	8.0
71.30466	2.9
74.59843	1.3
79.05495	27.3
81.03410	6.3
81.07056	21.5
82.07379	1.7
83.04982	5.1
83.08620	14.1
84.29711	1.6
85.02913	5.0
85.06570	1.5
91.05485	24.7
93.07050	14.0
95.04959	5.1
95.08598	7.5
97.02908	3.5
97.06541	2.3
97.10178	26.0
103.05469	6.7
105.07034	19.7
107.04953	3.2
107.08591	14.2
109.06512	3.5
109.10165	7.4
111.08096	2.1
115.05457	6.1
117.07021	31.0
118.07426	2.1
118.12511	1.5
119.08578	12.6
120.08905	1.4
121.06484	3.3
121.10137	3.8
123.08038	2.4
125.09637	21.1
129.07027	13.1
131.04890	1.9
131.08580	22.5
133.06480	6.1
133.10132	2.7
135.08063	5.1
137.05927	3.0
141.07002	7.8
143.08549	7.4
145.06476	6.8
145.10146	7.7
147.08064	2.3
147.11726	2.3
149.09651	4.6
153.01715	1.4
153.07010	1.7
153.09084	2.7
154.07681	1.7
155.08560	8.1
157.06487	2.4
157.10161	5.7
158.82776	1.6
159.08055	3.2
159.11659	1.8
165.09137	1.8
167.08537	2.3
169.10155	7.7
171.08055	3.0
171.11673	5.6
173.09711	1.7
173.13214	2.1
179.08588	1.7
181.10210	2.1
183.08119	2.2
187.14769	10.4
189.11180	11.4
189.12669	1.8
195.11801	2.7
197.09590	1.8
197.13271	10.7
199.07440	1.6
199.11169	1.5
209.35362	1.8
213.12811	2.5
213.14732	1.4
215.14305	33.7
216.14697	1.9
219.61522	1.2
223.11082	2.2
227.12732	19.2
233.15277	1.9
271.16977	2.6
289.17792	1.4
341.67374	1.7
349.21548	6.9
367.22708	11.4
369.08170	1.5
369.14355	1.4
385.23685	8.8
386.23917	3.3
403.24750	3.5
441.26352	48.7
442.26614	7.3
459.27426	100.0
460.27905	12.3
468.16022	1.5
477.28546	11.5
522.17181	1.7
611.29828	2.8
616.53851	1.5
657.34192	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24783	9.1
53.36495	8.6
58.86298	9.2
67.12349	8.1
71.05003	19.1
75.75802	7.7
79.05483	21.2
81.07067	26.2
83.08596	11.0
87.65619	9.5
91.05492	28.6
93.07050	46.7
95.08598	26.3
105.07034	51.4
107.08602	48.6
109.10181	20.6
119.08584	36.9
119.87295	9.8
121.10123	72.6
123.11673	9.6
131.08588	44.1
132.29504	9.4
133.10141	23.6
135.08070	11.7
135.11674	9.2
145.10104	17.5
147.11690	34.0
149.09576	13.2
151.77327	8.5
159.11659	12.3
165.12946	9.5
175.11127	12.6
175.14720	11.0
177.12776	10.4
188.36310	8.7
189.16379	39.1
217.15926	52.4
219.17577	11.5
227.07114	22.2
234.45627	8.7
235.16920	40.1
269.07883	9.4
285.07541	13.3
287.09146	11.6
310.96524	11.1
325.14481	12.0
387.17911	100.0
403.21548	12.6
448.49921	9.8
478.25229	10.3
656.30963	17.3
657.31256	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.8
67.05492	2.2
71.30070	2.6
81.07032	3.8
84.35114	1.5
91.05444	1.5
93.07079	1.8
95.08575	1.7
96.43980	1.3
107.08598	2.0
152.02765	1.4
165.30511	1.5
202.09836	1.9
221.33434	1.4
235.11166	1.9
237.09122	2.1
249.09259	2.8
251.10684	1.8
252.11389	2.2
263.10703	5.4
264.11301	1.6
265.08554	4.4
267.06543	1.4
271.09598	1.9
277.08554	7.6
280.10916	6.6
281.11469	2.0
285.07883	1.4
285.11154	1.6
291.10178	3.1
293.08252	2.6
295.13226	9.2
296.14008	1.7
297.10995	2.0
299.09036	2.4
309.11145	6.3
312.13608	1.4
318.10855	1.6
319.58215	1.5
323.12833	8.5
324.13531	5.9
325.10675	2.3
340.12973	3.1
355.15402	100.0
356.15842	14.3
387.18039	23.2
388.18228	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13343	0.6
57.07058	0.7
63.16456	0.6
64.20270	0.6
65.26436	0.6
67.05506	1.1
69.07045	0.8
71.21186	1.1
74.90392	0.6
77.50084	0.6
79.05491	1.0
81.07066	5.1
82.04205	0.6
85.88009	0.6
91.05474	0.8
93.07058	0.9
95.08603	2.6
105.07052	1.1
107.08593	1.4
109.10150	1.5
119.08617	1.1
121.10129	1.4
137.13277	2.3
145.10249	0.6
195.08141	0.7
201.09109	0.8
202.09984	1.0
207.11630	0.8
209.09641	0.8
210.06863	0.9
211.07678	0.8
220.08885	0.9
220.13147	0.6
221.09694	0.7
226.09866	0.9
235.07527	1.1
235.11192	2.4
237.09131	3.0
238.09883	1.1
239.07106	0.6
241.04807	0.7
247.07674	0.8
248.08379	2.2
249.09138	2.8
251.06953	0.7
251.10715	1.7
252.11534	1.4
253.08768	1.0
253.11749	0.6
254.09506	1.7
256.07278	1.1
261.09088	1.1
262.09891	1.1
263.10620	5.3
264.11453	2.1
265.08621	7.2
266.09253	1.2
267.06732	0.8
267.10056	1.0
267.13843	1.5
271.09610	1.0
277.08551	6.0
278.09219	1.5
279.06970	0.6
279.10266	2.3
280.10928	7.5
281.08258	1.0
281.11725	2.0
282.08755	1.1
284.06812	0.8
285.07837	0.7
285.11130	0.7
291.10236	2.0
292.10895	1.7
293.08093	2.4
293.11661	2.0
294.08905	1.1
294.12292	1.2
295.09958	1.6
295.13211	8.3
296.13849	2.1
297.11224	1.8
299.09207	1.9
306.12646	0.7
307.09576	0.8
308.10422	1.8
309.11203	9.0
309.14545	1.1
310.11658	1.3
312.13528	1.2
313.10739	1.2
322.12192	0.8
323.12744	8.0
324.13461	6.3
325.10730	2.1
325.14395	1.6
327.15811	1.5
331.11685	1.1
340.13153	3.3
341.13620	0.9
355.15393	100.0
356.15967	16.2
359.18588	1.0
387.18036	19.4
388.18262	1.3
485.32434	1.1
559.34613	0.8
612.56976	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57366	2.7
53.03952	4.6
55.05502	15.6
65.45279	2.7
67.05504	14.2
69.07073	6.6
71.08636	3.3
71.30058	3.7
76.51920	3.2
79.05507	11.5
81.07053	100.0
83.04974	15.8
91.05489	9.3
93.07037	20.1
95.04982	4.9
95.08607	28.7
97.06531	6.3
97.10206	4.5
103.43321	3.3
105.03412	4.0
105.07031	12.0
107.08617	11.8
109.10153	9.8
111.08106	3.6
117.07001	4.6
119.08611	15.3
121.10155	5.9
123.07986	4.0
123.11691	3.4
131.08594	8.4
133.10175	9.8
135.11714	5.2
137.13257	44.3
143.08591	6.9
145.10124	13.3
147.11691	6.3
154.15919	4.8
157.10147	9.7
159.11729	12.9
160.90019	2.6
161.09711	3.6
169.10139	4.2
170.39134	3.2
171.11749	8.8
173.09668	3.5
173.13371	3.9
175.01639	3.9
175.11166	3.3
177.12721	4.3
185.13292	3.6
195.11813	4.0
197.13235	4.6
209.13376	3.5
243.10286	3.5
247.17093	4.5
291.21072	3.7
355.15286	4.6
391.26419	4.2
407.50458	2.9
409.26773	4.5
427.28622	10.3
449.30417	10.3
467.31265	24.1
468.32132	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	10.3
67.05499	14.0
69.07071	11.1
69.14399	28.3
79.05495	14.2
79.89099	3.2
81.07057	100.0
83.04995	8.6
83.08608	5.5
86.32024	3.2
91.05496	8.0
93.07047	19.6
93.88383	3.1
95.04977	3.3
95.08605	49.0
97.06490	3.6
98.22679	5.5
100.06761	3.0
105.07036	18.4
107.08588	31.6
109.06574	3.9
109.10149	28.2
111.08085	8.4
118.16514	3.4
119.08589	23.6
121.10147	23.1
123.08102	6.0
123.11707	9.4
131.08557	16.4
133.10121	18.4
135.11678	9.3
137.13248	19.0
143.08586	7.8
145.10158	22.5
147.08060	4.9
147.11678	16.8
149.09583	4.2
149.13251	4.7
157.10149	20.6
159.11694	19.0
161.09576	6.3
161.13275	13.0
163.11229	5.5
169.10156	3.6
171.11693	11.1
173.13257	17.8
175.11241	4.9
175.14803	8.9
177.16434	4.9
178.66071	3.0
182.89049	3.5
183.11653	9.7
185.13249	10.3
187.14864	11.6
189.16544	3.7
197.13306	8.4
199.14819	9.1
201.12825	5.8
201.16380	4.0
203.14346	4.5
205.12250	3.5
205.15796	4.1
211.14775	4.4
213.12735	5.2
213.16365	7.2
219.14069	3.7
227.14154	3.8
229.15880	4.5
233.15338	6.2
237.14790	7.1
245.15231	4.4
263.16351	4.5
277.17960	5.3
345.24280	5.6
381.28058	4.5
395.29602	5.2
421.30875	25.0
431.29361	8.3
439.32144	28.1
449.30402	18.0
467.31467	26.5
485.32529	32.4
546.65454	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20240	4.5
50.38208	5.0
55.05515	13.7
57.07077	5.2
57.79512	4.9
58.30367	4.9
61.79804	4.7
65.25683	4.7
67.05515	16.9
67.58652	4.9
69.07082	15.1
69.98460	20.4
79.05492	14.1
81.07063	100.0
83.04996	13.3
86.71198	4.8
88.63872	4.7
91.05502	10.6
93.07054	19.8
95.08611	54.8
97.10139	6.3
101.02290	6.2
105.07035	22.1
105.99944	4.7
107.08607	34.0
109.10159	26.9
119.08563	26.8
121.10187	23.4
123.08028	6.0
123.11702	10.8
131.08609	9.5
133.10159	20.1
135.11702	6.6
137.09647	5.4
137.13269	20.4
143.08575	9.4
145.10130	27.3
147.11713	18.1
149.13287	5.0
157.10092	8.6
159.11702	14.4
161.09694	8.0
161.13292	13.9
163.11110	8.1
171.11694	14.5
173.09541	7.7
173.13319	17.5
175.11125	8.2
175.14908	6.4
183.11665	7.1
185.13310	10.9
187.14862	7.2
199.14844	11.4
201.16396	6.1
203.18028	15.3
203.65331	4.5
215.14343	6.5
215.31857	4.7
229.15927	6.1
245.46109	6.0
247.17010	7.0
355.15567	7.2
397.31210	5.3
409.20230	7.9
421.31143	15.7
423.21899	16.4
431.29471	8.2
439.32037	20.6
449.30487	25.4
467.31531	41.4
477.23187	9.9
485.32611	19.2
491.20789	6.4
495.23642	8.1
496.24472	6.4
508.24542	16.4
511.26678	9.5
519.24017	6.5
521.25049	6.6
537.25031	14.1
553.27698	7.5
581.27545	15.9
597.27118	41.0
613.30078	54.9
625.26599	74.9
657.50305	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33565	5.6
55.01868	7.9
55.05514	35.8
56.18899	6.2
57.03437	19.1
57.07079	65.3
67.05505	75.9
69.07075	81.2
71.04984	20.2
71.08634	43.4
73.02940	7.3
79.05489	65.6
81.03429	14.2
81.07056	73.7
83.04975	20.0
83.08623	21.3
85.10185	29.4
91.05490	59.3
93.07047	65.2
94.07417	6.8
95.04968	24.3
95.08614	64.3
97.06537	100.0
97.10144	14.7
97.22501	5.8
98.23260	27.0
105.07025	34.3
107.04957	9.8
107.08595	24.6
109.06525	18.8
109.10173	29.4
115.07592	44.2
117.07029	12.9
119.08571	23.3
121.06464	7.4
121.10132	15.8
123.11732	9.4
129.06981	11.8
131.08575	27.7
133.06479	6.5
133.10138	27.1
135.08067	10.8
143.08546	9.5
145.10103	15.3
147.11703	9.6
149.09595	7.3
149.13281	11.8
159.11687	14.1
170.90175	6.8
173.13376	6.8
177.12823	8.2
186.79337	7.5
195.13846	7.1
217.15849	9.9
245.19365	6.2
269.17566	18.8
273.18500	32.0
291.19604	14.5
313.27365	73.6
341.27032	8.4
347.22162	11.3
355.15332	12.0
408.77472	8.0
465.83548	7.3
507.40488	61.6
521.25555	6.6
569.21490	6.7
603.46106	12.7
617.06610	6.3
624.43231	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72424	0.8
53.03936	1.6
55.05276	0.7
55.05512	21.5
58.42812	0.8
67.05511	1.3
69.69225	3.8
79.05493	1.6
81.03448	1.1
81.07048	1.4
81.15080	0.8
83.04974	19.2
95.04959	1.8
98.23285	1.1
99.04453	8.1
105.03384	6.8
109.10123	1.0
119.04974	1.5
123.26293	0.9
127.03934	2.9
132.05716	2.7
132.67087	0.9
147.08047	0.9
207.08424	1.1
207.10255	2.9
212.04831	0.9
237.09093	1.5
250.06248	1.2
251.03348	1.0
251.07082	2.2
253.08710	1.1
263.06934	2.2
264.07870	1.1
265.05072	1.1
265.08722	1.8
266.05753	1.1
267.06607	1.1
277.08539	1.3
278.09103	1.1
279.06631	3.6
280.07434	2.5
281.08142	2.4
282.05286	1.2
282.08832	0.9
293.04562	1.4
293.08200	2.5
294.08832	2.1
295.06284	1.4
295.09668	3.6
297.07678	2.6
305.08087	2.1
307.05997	2.7
307.09723	1.0
308.06802	2.4
309.07697	1.4
310.08405	1.3
311.05450	1.9
311.09134	1.3
321.07758	1.0
323.09128	8.5
324.06293	1.2
324.09824	2.1
325.07141	1.4
325.10541	1.6
337.10736	3.3
339.08560	1.9
339.12564	2.1
340.09351	1.1
355.11725	3.5
356.45563	1.1
367.11554	2.5
369.13248	1.1
397.12888	3.6
428.02380	0.9
455.17111	1.3
535.13501	7.9
557.11279	2.1
657.17255	100.0
658.17645	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
71.14117	1.3
74.02458	1.0
88.99007	0.4
91.05483	1.4
109.39439	0.5
115.05448	1.6
117.05756	0.9
117.06994	1.2
118.06540	19.9
119.06857	0.6
123.04422	3.3
130.06537	1.4
132.08095	6.8
139.03909	5.8
142.06543	2.1
143.07278	2.9
144.04419	0.5
144.08081	12.3
146.06006	63.4
147.04459	0.8
147.06326	2.6
159.09174	5.7
160.07628	0.6
165.05508	0.6
170.05992	5.1
188.07062	100.0
189.07430	4.5
205.09726	38.6
206.10080	1.7
206.80144	0.5
251.27840	0.5
275.76010	0.5
291.08609	3.9
291.70370	0.5
510.39148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88734	1.1
68.19601	1.1
81.07072	1.8
93.07037	1.4
98.22591	4.5
98.23313	5.6
119.57719	1.2
145.10098	1.4
199.60683	1.2
226.40981	1.2
229.51140	1.5
242.77998	1.1
263.74478	1.2
328.58890	1.2
335.91684	1.1
339.55875	1.2
399.16373	1.5
413.17737	2.5
419.22330	1.6
427.19043	1.9
441.18600	4.3
462.15649	1.4
463.16647	3.6
464.17072	1.2
477.18387	3.3
485.23602	1.5
487.21274	1.7
491.20322	1.5
492.20926	1.4
493.18225	4.3
495.15640	1.5
501.22690	2.1
505.17746	2.2
506.18591	4.6
507.19180	1.4
509.17310	1.5
513.22418	1.7
519.19525	9.8
520.19617	4.3
522.18237	1.3
523.18652	1.7
533.17523	1.7
534.18018	1.6
536.19769	1.6
537.20233	1.8
551.21472	3.8
569.22821	1.5
572.23560	1.5
579.13074	2.3
579.21588	35.9
580.21625	5.3
607.20984	17.7
608.21094	2.6
621.27100	2.3
625.22034	2.2
639.23663	100.0
640.23553	15.2
657.24713	31.1
657.41357	2.5
658.24927	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02892	0.6
53.03941	3.7
55.01870	2.0
55.05511	89.2
56.05851	1.6
65.03952	1.0
67.05502	4.1
68.99823	0.6
69.03429	3.7
69.07072	1.5
71.04992	1.6
71.57299	0.6
79.05488	6.7
81.03427	1.1
81.06635	0.5
81.07055	23.3
83.04979	100.0
84.05303	1.4
91.05476	6.8
93.07051	4.8
95.04967	9.4
95.08599	8.4
97.02886	4.8
97.06532	2.1
98.23355	1.4
99.04441	3.5
103.05505	1.1
103.76067	0.8
105.07020	5.6
107.04971	1.6
107.08607	4.4
109.02872	1.0
109.06517	18.6
109.10183	0.7
110.06872	0.6
111.04443	1.9
111.08064	1.7
111.30312	0.5
115.05466	2.2
116.06371	0.6
117.06989	3.5
119.04936	0.9
119.08568	4.5
121.06519	3.4
121.10122	1.0
123.04414	1.2
123.08059	11.3
124.08350	0.6
125.05987	1.0
125.09647	0.7
128.06242	3.8
129.07001	4.5
130.07765	0.6
131.04947	1.3
131.08556	3.0
133.06468	4.1
133.10150	1.8
135.08041	2.9
137.05975	26.7
138.06349	0.9
139.07559	2.3
141.06990	3.8
142.07767	2.4
143.04910	1.1
143.08569	6.8
144.05763	0.9
145.06482	17.8
145.10124	3.2
146.06955	0.8
147.04419	0.7
147.08047	5.8
149.05989	2.9
149.09660	1.0
151.07536	4.3
153.05832	0.6
153.06963	3.0
154.07790	1.6
155.07143	1.4
155.08527	8.7
156.09323	0.6
156.33858	0.5
157.06468	4.0
157.10103	3.4
158.07278	0.9
159.04413	0.5
159.08063	7.1
159.11742	0.6
159.40704	0.5
161.05995	2.3
161.09596	2.7
163.07529	1.9
165.06984	4.1
165.09126	1.4
166.07773	1.8
167.07048	1.5
167.08591	4.7
168.09245	1.1
169.06511	4.4
169.08617	1.5
169.10150	3.2
170.07274	1.4
171.08044	14.2
171.11653	0.9
172.08615	1.2
173.06033	2.2
173.09608	3.5
175.07532	3.1
177.09114	1.3
178.07730	2.8
179.08551	5.1
180.09300	1.2
181.06470	2.9
181.10106	4.8
182.07263	2.4
183.08064	9.2
183.11711	2.2
184.08833	3.4
185.06065	2.0
185.09608	6.2
186.10220	0.6
187.07552	2.9
189.07091	0.6
189.09087	1.7
190.07820	1.8
191.07010	0.8
191.08556	2.2
192.09277	3.9
193.06717	0.9
193.08611	1.3
193.10161	6.8
194.07295	1.3
194.10881	1.7
195.08038	8.0
195.11644	3.3
196.08788	1.9
197.06113	1.0
197.09631	8.0
198.10455	0.7
199.07558	3.2
199.11194	2.2
201.09096	3.1
202.07739	3.8
203.08548	4.0
203.10460	0.8
204.09312	3.5
205.06650	1.0
205.10132	7.9
205.11926	0.9
206.07285	0.6
206.10895	2.0
207.08058	3.5
207.09946	0.6
207.11714	5.5
208.08839	2.2
208.12498	0.7
209.09602	8.3
209.13261	2.0
210.07014	0.6
210.10159	1.3
211.07512	3.8
211.11171	5.7
213.09100	3.7
215.08586	2.5
215.10667	1.2
216.09355	2.2
217.10129	7.3
218.10802	3.6
219.08211	4.7
219.11740	5.6
220.08827	4.5
220.12430	1.2
221.06250	0.9
221.09619	10.9
221.13106	2.6
222.10373	3.5
223.07594	1.9
223.11195	5.7
223.14851	1.4
224.08131	0.7
224.11798	1.8
225.09132	4.3
225.12718	2.5
226.09842	0.7
227.10687	1.9
228.09312	0.9
229.10159	3.0
230.10893	1.7
231.08110	1.3
231.11786	3.3
232.08759	3.7
232.12524	2.4
233.09605	10.1
233.13243	3.2
234.10342	2.8
235.07555	1.8
235.11192	14.9
235.14807	1.0
236.08305	0.8
236.11845	3.9
237.09158	4.3
237.12723	6.1
238.09731	1.2
238.13387	0.8
238.82266	0.6
239.10635	4.5
239.14339	1.2
241.10072	1.6
242.10883	3.2
243.09923	1.8
243.11786	2.5
244.12473	1.1
245.09653	9.4
245.13234	2.0
246.10362	6.3
247.07524	0.8
247.11208	8.6
247.14842	4.7
248.08356	0.8
248.11880	2.5
248.15552	0.8
249.09120	3.0
249.12762	8.3
249.16562	0.9
250.13470	2.0
251.10600	5.1
251.14310	5.4
252.14964	0.9
253.12254	4.0
254.12958	1.1
255.07953	0.6
255.13963	0.8
257.09564	1.0
257.13467	3.7
258.10434	1.2
258.14038	1.8
259.11185	7.2
259.15060	0.7
260.11920	5.9
261.09155	1.3
261.12744	9.8
261.15674	0.7
261.16589	0.6
262.13489	1.5
263.10721	11.4
263.14346	2.9
264.11282	2.1
265.08481	1.4
265.12469	3.5
265.15808	4.4
267.10214	2.2
267.14011	1.1
269.09387	1.0
269.11896	1.0
270.10458	2.3
271.11096	1.4
271.14993	1.2
273.09238	0.7
273.12738	2.9
274.13470	2.0
275.10788	1.7
275.14261	15.2
276.14905	2.4
277.12283	7.6
277.15820	3.2
278.12820	1.6
279.10196	6.4
279.13797	6.8
280.10815	1.1
281.11722	9.6
281.14825	1.0
282.12442	1.2
283.10455	0.7
283.13477	1.4
284.12067	1.0
285.12820	7.2
286.13483	1.8
287.10684	3.0
287.14029	1.2
288.11481	1.7
289.12253	2.2
289.15878	2.1
290.12711	0.8
291.10403	0.8
291.13748	2.6
291.17233	1.1
292.14386	1.0
293.11823	2.2
293.15390	8.3
294.15817	1.7
295.13406	3.5
295.16580	0.8
297.11334	0.7
299.12518	2.6
301.12292	1.1
301.15805	1.3
303.10330	1.0
303.13773	11.9
304.14407	2.2
305.11731	5.4
305.15314	1.7
306.12360	1.6
307.13361	2.9
309.11249	2.6
309.14819	1.2
311.16501	1.2
313.15790	0.8
315.13940	0.7
317.11694	1.0
317.15137	4.0
319.13330	1.4
319.16983	1.6
320.17609	0.7
321.14883	6.9
322.15155	0.8
323.12915	2.2
325.14346	1.1
327.13614	1.3
327.17404	0.7
331.13272	1.3
333.14868	1.8
335.12952	1.0
335.16339	3.1
337.14410	1.2
339.16132	3.2
341.14053	2.5
343.13333	1.3
345.14844	3.3
345.18570	0.9
347.16553	1.7
349.14304	1.0
349.18103	0.7
353.17477	1.6
355.16852	1.8
357.14841	1.5
359.16428	2.2
361.14371	1.6
363.15894	4.4
363.19531	1.1
364.16580	1.0
371.15906	0.8
373.14114	0.8
373.18024	7.0
374.18381	1.0
375.15363	2.6
375.19775	1.9
377.13339	0.9
377.17557	3.0
379.15366	1.0
381.16928	10.8
382.17444	1.1
383.16479	4.1
384.16678	0.7
391.19034	10.8
392.19531	1.3
393.16660	1.3
393.21017	1.0
397.18094	0.9
399.19299	0.9
401.17511	30.8
402.18015	3.5
403.15256	3.5
409.19952	3.2
415.19354	2.7
417.20844	5.5
419.18488	75.5
420.18738	8.8
421.16681	3.2
425.17334	0.9
433.20026	2.3
435.21994	6.4
436.22003	0.9
437.19568	42.5
438.19839	3.8
443.18481	6.9
451.21292	2.2
453.22766	2.2
455.20517	3.2
458.49551	0.6
461.19574	20.5
462.19812	3.1
479.20645	25.4
480.21005	3.4
497.21744	12.7
498.21796	1.3
501.22855	0.7
515.22675	2.1
519.23865	2.1
521.21429	1.1
535.26978	0.8
537.25037	1.1
561.24939	1.5
579.25769	2.5
597.26843	1.5
657.28827	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45405	0.9
53.03942	2.8
54.38359	0.7
55.01857	1.3
55.05510	84.5
56.05836	1.8
65.03928	0.9
67.05502	4.3
69.03432	2.9
69.07057	0.8
70.37807	2.7
71.04995	1.1
77.55006	0.8
79.05495	5.4
81.07058	14.1
83.04977	100.0
84.05316	2.5
91.05499	5.3
93.07050	3.1
95.04977	5.1
95.08609	10.4
97.02878	5.3
99.04465	2.5
105.07033	3.5
105.08188	0.7
107.04972	0.8
107.08585	2.9
109.02870	0.9
109.06512	13.0
109.10198	0.8
111.04404	1.8
111.08077	1.0
115.05447	1.4
117.07044	3.0
119.08598	3.3
121.06509	3.2
123.04455	1.8
123.08069	9.8
125.06044	1.1
125.09612	1.0
128.06223	3.3
129.07027	3.3
131.04926	2.0
131.08565	3.6
133.06491	3.5
133.10103	0.9
135.08054	1.6
137.05969	19.8
137.09634	1.0
138.06390	1.0
139.07573	1.8
141.07033	2.8
143.08583	4.7
145.06461	8.4
145.10147	2.4
146.06956	1.5
147.08052	5.2
149.05968	2.8
151.07547	2.6
152.06139	1.4
153.06929	2.0
154.07697	1.3
155.07234	1.2
155.08530	8.9
157.06497	3.0
157.10110	2.7
158.07269	1.4
159.08054	5.6
161.09602	2.6
163.07547	2.7
165.05765	0.9
165.07050	3.4
165.09099	1.2
166.07755	1.1
167.07184	1.9
167.08597	4.5
169.06506	2.5
169.10129	2.8
170.07272	1.2
171.08057	11.0
173.05966	2.2
173.09648	3.0
175.07516	2.5
177.09061	0.8
178.07794	3.4
179.08502	5.3
180.09367	2.0
181.06511	2.1
181.10077	4.2
182.07239	1.6
183.08046	8.2
183.11691	1.2
184.08775	2.5
185.05998	1.0
185.09634	7.4
187.07561	2.4
190.07800	1.8
191.08621	3.4
192.09312	2.4
193.10091	6.8
194.07227	1.1
194.10710	1.0
195.08041	7.3
195.11719	2.3
196.08766	2.2
197.05997	1.0
197.09604	5.5
199.07559	2.4
199.11195	2.3
201.09076	2.1
202.07825	2.3
203.08585	3.5
204.09369	3.2
205.10149	5.2
206.10904	2.3
207.08113	3.9
207.09894	1.0
207.11646	4.4
208.08806	2.0
208.12323	1.0
209.09605	6.8
209.13228	2.1
209.58185	0.8
210.10155	1.4
211.07594	2.4
211.11124	4.2
213.09209	1.7
215.08681	1.3
216.09303	1.8
217.10164	4.3
218.10898	3.2
219.08058	3.4
219.11703	3.7
220.08862	3.4
220.12080	1.0
221.09604	11.5
221.13266	2.4
222.10454	1.4
223.07513	1.6
223.11172	4.4
223.14761	1.1
225.09106	2.6
225.12769	2.6
227.10663	1.4
229.10161	2.7
230.11014	1.2
231.08049	1.7
231.11674	3.0
232.08820	2.7
232.12540	2.0
233.09602	6.5
233.13211	4.0
234.10327	3.3
235.07584	1.4
235.11179	12.5
236.11903	2.9
237.09064	3.3
237.12733	6.4
238.09740	1.0
239.10672	3.6
242.10925	1.7
243.11859	1.8
245.09628	6.1
245.13312	1.6
246.10408	3.8
247.07568	1.1
247.11125	7.2
247.14841	2.7
248.11813	2.0
249.09137	2.3
249.12733	8.2
249.16481	1.1
250.09814	1.2
250.13469	1.5
251.10609	4.7
251.14276	4.1
253.12271	4.1
256.12439	1.0
257.09543	1.2
257.13165	3.1
258.10483	0.8
258.13751	1.0
259.11328	5.4
259.15082	0.8
260.11938	4.4
261.09018	1.7
261.12762	8.7
262.13501	1.7
263.10678	8.4
263.14270	2.4
264.11331	2.5
265.08609	1.3
265.12274	3.3
265.15915	2.1
267.13846	0.9
269.11752	1.4
270.10287	1.3
271.11127	1.0
273.12781	2.1
275.10901	1.3
275.14301	11.1
276.15109	1.0
277.12265	5.9
277.15869	2.9
278.12979	2.3
279.10172	11.6
279.13760	5.6
281.11667	11.5
281.14941	1.3
285.12741	3.6
286.13327	0.9
287.10751	1.1
287.14230	1.5
288.11380	1.3
289.12115	1.1
289.15732	1.2
291.13721	1.8
291.17172	1.2
293.12170	1.7
293.15366	8.5
294.15814	1.1
295.13321	4.8
295.16696	1.4
299.13116	1.6
301.12341	1.0
301.15866	0.9
303.13834	8.4
304.14569	1.8
305.11829	4.8
305.15048	1.4
307.13293	2.0
309.11621	1.0
309.15067	1.3
309.18643	1.5
315.13712	0.9
317.15411	2.4
318.16064	0.9
319.13226	2.4
319.16913	2.5
321.14847	6.8
323.12643	3.9
333.14911	1.2
335.16339	2.3
337.14307	2.8
339.16080	4.3
341.14377	1.5
345.14853	2.5
347.16431	1.2
349.14252	1.3
349.18021	1.0
353.17523	2.3
357.14774	2.3
359.16409	1.9
361.13889	1.3
363.15741	3.4
363.19754	1.7
364.16296	1.6
373.18048	6.1
375.15695	1.9
375.19760	1.8
377.13535	1.5
377.17569	2.2
381.16840	5.6
383.16437	2.5
385.14273	1.5
391.14383	1.1
391.19037	8.7
392.19540	1.1
393.16531	1.4
401.12442	1.2
401.17505	23.6
402.17746	2.9
403.15396	8.2
404.15811	1.1
409.20160	2.7
415.19000	2.6
417.20499	4.0
419.18503	68.4
420.18948	7.6
421.16449	4.0
425.17480	1.8
433.20041	2.5
435.21881	7.0
436.22382	1.1
437.19580	34.6
438.20081	3.2
443.18445	5.8
451.21332	2.3
453.22897	2.0
455.20700	2.7
461.19537	18.6
462.19943	3.1
479.20630	31.5
480.20929	3.1
488.76788	0.8
497.21747	19.7
498.22003	2.0
515.22565	1.5
519.23529	2.2
521.21405	2.1
535.27039	1.4
537.24835	1.5
561.25128	1.2
579.25812	3.3
597.27338	1.5
639.27875	1.9
657.28656	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22258	1.2
55.05514	1.6
60.05669	1.1
67.05499	2.7
67.33693	1.3
69.07061	2.5
81.07064	10.7
82.07396	1.6
86.57098	1.2
91.05477	2.3
93.07060	3.4
95.08600	6.3
101.15486	1.3
105.07033	3.5
107.08593	3.3
109.10134	2.6
119.08537	1.6
121.10135	1.9
133.10185	1.9
135.11732	1.4
145.10126	2.3
147.11707	3.8
155.08530	1.4
157.10161	2.0
159.11632	1.9
164.96710	1.5
166.60577	1.4
169.10103	1.2
171.11664	1.2
173.13239	1.3
183.09146	1.3
199.31778	1.3
200.68697	1.2
201.16397	1.5
203.18025	1.4
221.10657	1.6
237.13921	2.4
249.13788	2.7
260.12363	1.4
261.14029	1.5
269.12878	1.5
273.13821	2.4
275.15173	1.4
288.15848	1.7
324.14481	1.5
337.15445	2.3
340.18155	2.1
354.19757	1.4
362.15549	1.7
364.17328	1.6
365.17633	3.7
375.16159	2.1
377.17719	2.7
378.18591	3.6
379.19260	5.7
380.20184	1.9
381.22452	1.3
391.19128	3.6
392.20255	2.1
393.17035	3.6
395.18286	2.2
395.22763	1.9
403.15445	1.5
404.16467	2.0
405.20963	2.3
406.22147	1.9
407.22629	2.5
408.19394	5.0
409.20044	6.9
410.20224	1.6
416.17300	1.5
417.16577	1.4
419.17932	2.9
420.18945	1.8
421.19308	6.4
421.24490	2.9
422.20670	4.9
423.21796	21.2
424.21985	4.0
433.20233	2.3
435.22018	9.1
436.22653	5.8
437.23230	5.3
446.20639	1.7
447.21942	2.5
448.19171	2.1
449.23080	5.4
449.29391	2.2
450.24249	3.4
450.30615	2.7
451.21243	4.8
452.21982	1.9
454.20227	5.1
456.22995	1.8
461.23801	9.0
462.20471	2.7
463.21216	4.3
464.21729	2.4
465.23145	6.6
466.21625	2.1
467.20062	1.4
467.24841	2.4
467.31204	2.6
468.24649	4.3
468.31793	3.3
476.22195	2.0
477.22885	5.7
478.23547	5.2
479.24899	11.1
480.25043	2.3
481.22076	5.0
482.23044	2.4
491.20676	2.8
493.22549	4.8
493.26563	3.0
494.27145	8.0
495.23505	17.2
496.24426	9.9
505.22345	2.2
508.24591	16.4
509.25781	13.6
510.26468	13.8
511.27203	15.1
512.27539	1.7
516.25012	2.2
519.24023	2.0
521.25275	6.4
522.25867	4.7
523.22986	6.5
525.28894	3.3
526.28778	3.6
536.25134	1.5
537.25043	28.5
538.25568	13.7
539.26331	3.7
549.24927	2.3
551.22876	3.8
553.28461	11.3
554.27472	2.0
555.25867	3.5
565.24384	7.1
566.25269	2.3
570.28210	6.3
581.27576	27.6
582.27051	5.7
583.25439	9.7
584.25281	2.1
595.28937	1.5
596.26758	2.1
597.27100	59.0
598.27783	19.5
607.25342	2.8
613.30170	81.1
614.30573	15.8
625.26526	100.0
626.26917	17.9
657.29865	8.0
657.51099	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84979	1.2
53.83089	1.1
55.05503	1.6
67.05489	2.3
69.07068	1.4
74.46484	1.1
79.05532	1.4
81.07067	2.7
81.72935	1.1
82.32033	1.1
82.32600	1.1
83.04975	1.3
91.05489	2.9
93.07047	3.2
95.08601	3.7
98.22643	3.2
103.13041	1.2
105.07034	2.6
107.08609	1.5
108.08106	1.4
109.10077	1.2
109.56392	1.2
119.08624	1.7
121.10160	1.4
130.06514	1.2
131.08521	1.4
133.10167	2.1
144.08105	1.4
173.10695	1.3
187.08589	1.4
190.21179	1.2
209.10788	1.8
221.10706	1.8
221.39444	1.1
223.12375	1.6
233.10658	2.3
235.12567	1.7
237.13872	1.9
247.12222	2.8
249.14012	1.6
259.12094	1.8
261.13837	1.6
273.13821	3.1
274.13437	2.5
275.15390	1.5
300.11694	1.5
300.14841	2.1
302.16641	1.5
303.13675	1.4
303.17215	1.2
304.14581	1.4
312.14740	1.5
314.16681	1.7
316.18048	1.2
318.15839	2.0
328.18210	1.2
332.17493	1.5
340.17999	2.3
352.18085	2.8
353.18710	1.4
362.15900	2.3
363.16171	2.3
364.17465	3.0
365.17694	3.6
366.19363	2.6
374.16721	1.4
375.16660	1.3
376.17566	2.6
377.17673	3.8
378.18903	2.7
379.19440	6.3
380.20178	1.6
381.20749	3.5
388.18066	1.7
389.19174	2.4
390.19055	1.6
391.19208	3.6
392.20575	2.3
393.16867	3.7
393.21201	2.9
394.17419	1.8
394.21909	2.0
395.22693	2.0
403.19135	2.1
405.16718	1.5
405.21301	2.3
406.21640	4.1
407.18542	5.3
407.22656	3.4
408.18964	5.6
409.20120	6.7
410.20126	1.8
412.20203	1.4
414.21640	1.4
419.18564	3.3
421.19720	8.1
421.24915	2.1
422.20694	5.4
423.21799	25.7
424.22064	4.5
432.19302	2.2
433.20493	2.4
434.21014	1.6
435.22052	10.7
436.22968	5.9
437.23920	6.8
442.21283	1.6
445.19998	1.6
446.21060	2.4
447.22336	2.3
449.18884	1.7
449.23288	4.4
450.23853	5.0
451.20755	7.7
452.22208	1.4
453.23013	2.0
454.19693	7.5
456.22763	1.9
461.23563	8.0
462.20612	2.2
463.21423	6.1
464.22144	2.6
465.23257	6.2
466.22034	2.4
467.24280	4.3
468.24753	4.4
476.23126	1.9
477.23038	10.4
478.23911	6.3
479.25259	8.7
480.21140	3.8
481.22363	5.7
491.20593	1.5
493.22491	8.7
494.26291	5.8
495.23593	18.4
496.24628	6.9
505.22186	2.4
507.23959	1.8
508.24857	19.8
509.25592	16.5
510.26437	15.2
511.27359	15.2
512.27057	1.7
521.25751	5.7
522.25684	4.3
523.23505	5.1
525.28473	2.4
526.29077	2.9
537.25061	24.4
538.25684	12.5
539.26074	2.6
549.24640	2.6
551.22870	3.5
553.28027	10.4
554.27777	1.9
555.25897	2.8
565.24115	4.9
566.25043	4.0
570.28015	3.2
581.27551	21.8
582.26898	4.4
583.25452	7.2
596.27917	1.7
597.27045	50.1
598.27698	15.8
607.24957	3.3
613.30109	66.9
614.30182	12.0
625.26520	100.0
626.27039	14.7
657.29980	6.1
657.39606	2.2
657.50836	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.32
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01868	2.6
55.05513	8.7
57.03423	2.3
58.99583	6.2
61.32147	0.9
65.03937	2.1
67.05507	14.0
69.03416	3.3
69.07058	3.5
71.30998	1.1
76.02228	19.1
76.03979	1.5
79.05483	7.5
81.03422	6.1
81.07046	13.2
83.04979	17.4
83.08639	2.2
85.02904	2.1
85.06506	1.8
86.00634	0.8
86.99048	1.6
88.02200	1.5
91.04958	1.6
91.05479	16.8
93.07043	22.5
94.07365	0.9
95.04965	5.5
95.08605	22.0
96.08932	1.1
97.02880	2.1
97.06526	2.5
97.10155	1.0
105.04519	1.3
105.07023	22.2
107.04930	1.9
107.08597	11.9
108.29175	0.9
109.02821	1.4
109.06520	5.7
109.10148	4.8
111.04436	11.0
111.08066	11.9
113.06011	1.7
115.05445	1.7
116.01675	6.6
117.07014	8.3
119.08570	29.0
120.08116	1.0
120.08906	1.9
120.46209	0.8
121.06519	5.5
121.10123	5.6
123.04386	0.9
123.08056	3.9
123.11680	1.5
127.07534	1.1
127.55206	0.8
128.06198	4.2
129.05495	1.1
129.07004	10.3
130.04956	1.0
131.08560	15.2
133.06470	5.2
133.10123	20.5
134.10428	1.0
135.08046	3.9
135.11658	1.6
137.05952	2.3
137.09686	0.9
139.07509	7.1
141.06923	4.6
141.09032	1.1
142.07794	5.9
143.08580	12.6
144.01118	3.3
144.09306	1.7
145.06407	2.6
145.10109	11.6
147.08002	5.1
147.11665	12.5
149.09637	3.7
153.06963	1.9
154.07767	2.2
155.08542	12.0
156.09334	4.2
157.06567	1.8
157.10120	19.7
158.10818	1.4
159.08023	4.3
159.11702	10.0
160.08766	1.2
161.09581	6.2
161.13269	2.5
162.02184	10.7
163.03857	1.1
163.11182	2.3
165.06973	4.0
166.07787	2.0
167.08508	5.2
168.09383	1.7
169.10106	10.1
170.10901	2.0
171.08040	2.5
171.11665	13.1
172.08797	1.0
173.09595	7.2
173.13266	4.6
174.10365	0.9
175.05873	1.1
175.07565	1.1
175.11183	12.2
177.09167	1.3
177.12730	1.4
178.07741	1.2
179.04839	13.7
179.08534	6.4
180.09297	3.4
181.10104	10.2
182.10857	1.7
183.08078	3.7
183.11655	8.8
184.08818	1.0
184.12479	1.2
185.09613	3.3
185.13190	4.7
187.11237	4.4
187.14783	1.5
189.03311	2.0
189.07315	1.3
189.12732	5.5
191.05167	0.8
191.08620	2.8
191.10635	1.7
192.09354	3.1
193.10115	8.9
193.12181	2.7
194.10916	3.2
195.08090	1.8
195.11681	10.8
196.08855	1.3
196.12421	3.1
197.09677	2.8
197.13257	7.5
199.11159	11.0
199.14842	3.0
201.09099	1.5
201.12730	3.1
203.08739	2.3
203.10638	1.0
204.09389	1.8
205.10152	7.0
206.10913	6.3
207.11705	13.1
208.12479	4.1
209.09631	3.9
209.13226	8.2
210.14040	0.9
211.11147	2.2
211.13258	3.1
211.14876	3.7
213.07321	1.0
213.12750	4.0
215.08759	0.9
215.10767	1.5
215.14279	5.0
216.09285	1.3
217.10114	4.4
217.12221	6.9
218.10913	3.8
219.11714	11.2
220.12495	5.1
221.09663	1.9
221.13229	13.3
222.13832	1.0
223.11328	4.0
223.14790	20.7
224.11870	0.9
224.15192	2.1
225.12727	7.8
225.16501	1.1
226.07890	0.9
226.13351	1.0
227.08800	1.3
227.14264	3.6
229.10159	3.0
229.12260	1.2
230.10802	2.1
231.08359	1.7
231.11696	7.6
231.13744	1.5
232.12375	5.7
233.09685	1.5
233.13234	9.9
233.15373	4.1
234.10353	1.4
234.13905	3.3
235.11024	1.6
235.13049	3.1
235.15189	5.9
237.12737	3.9
237.16370	2.2
239.14233	7.4
241.12199	2.5
243.11668	3.0
243.13828	1.3
244.12511	3.3
245.13228	9.7
245.15500	2.4
246.13858	4.1
247.11133	1.8
247.14856	11.1
248.15565	1.8
249.09941	1.3
249.12587	4.6
249.16454	7.4
250.16684	1.4
251.14343	4.8
255.13890	1.6
256.12439	2.0
257.13229	3.2
257.15424	3.2
258.14038	3.0
259.11127	1.0
259.14871	8.6
260.15530	2.4
261.12668	2.5
261.16470	8.1
262.16980	1.1
263.14429	4.2
263.17908	4.1
265.12195	1.3
265.15805	2.8
267.13699	3.6
269.13113	1.6
269.15567	1.7
271.11151	0.8
271.14801	4.1
272.15500	2.9
273.12714	1.7
273.16299	4.9
274.13214	1.0
274.17096	3.1
275.14429	2.1
275.17886	5.9
276.18628	1.6
277.12689	1.2
277.15884	2.9
277.19452	3.6
278.20041	1.1
279.13986	1.6
279.17465	1.7
281.15378	1.9
283.14563	1.3
285.16574	4.4
286.17120	1.8
287.14285	1.7
287.17896	4.4
288.14987	1.2
288.18491	2.2
289.15781	2.9
289.19446	4.3
290.16644	1.2
291.13962	2.1
291.17383	1.7
292.14114	1.1
293.15558	1.0
295.16956	2.1
297.16122	1.2
299.14227	2.1
299.17657	1.7
301.15814	2.5
301.19495	4.1
302.16574	1.3
302.19958	1.2
303.17386	5.4
303.21045	3.6
304.17960	1.3
305.15451	1.5
305.18912	2.5
307.16953	3.3
311.17990	1.8
312.14948	1.2
313.15747	1.6
313.19354	1.3
315.17426	3.7
315.20898	1.5
316.21732	1.2
317.18942	1.2
318.23380	1.0
319.16818	3.1
319.20267	1.3
321.18378	3.6
323.19998	1.1
329.18994	6.8
331.16971	1.4
331.20566	2.7
333.18423	2.2
333.22046	1.2
343.20477	2.1
344.21329	2.3
347.20068	7.5
349.21515	2.8
361.21609	1.9
362.22311	4.5
363.22998	2.5
375.23453	0.9
383.19839	1.8
397.25342	3.5
401.20563	1.8
401.25156	2.0
407.23538	2.1
415.26425	8.0
417.27832	4.7
418.28061	1.4
419.26236	6.7
425.24759	13.0
426.25146	1.6
433.27393	4.7
443.25778	23.6
444.26050	3.6
457.21826	1.4
459.25317	5.2
461.26840	100.0
462.27274	14.4
475.22812	5.3
477.28033	1.5
479.27887	17.8
480.28104	1.9
493.24152	21.9
494.24179	2.8
495.30118	1.1
501.24432	1.4
505.15259	1.4
519.25281	1.6
536.28467	1.7
547.24396	1.0
604.27020	1.2
622.28503	1.0
639.30945	49.9
640.31403	7.8
657.29218	34.0
657.42609	1.4
657.45679	1.0
658.29919	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
54.34906	1.6
54.78304	1.6
55.05497	2.3
57.03448	1.7
67.05492	5.6
68.99763	2.3
69.03417	2.0
69.27113	1.5
70.35004	3.7
70.35347	2.6
71.04978	2.0
79.05479	3.9
81.03408	3.6
81.07052	6.3
83.04968	3.0
83.08624	1.7
85.02917	2.1
91.05484	3.9
93.07062	3.7
95.04970	2.8
95.08588	4.8
105.03403	4.2
105.07043	3.8
107.08548	2.2
109.10172	2.4
114.83694	1.8
119.08556	4.2
121.10083	2.2
123.04332	1.8
123.08071	1.7
129.06975	3.1
131.08607	1.8
133.10133	2.4
144.09756	1.7
147.11696	2.4
151.07524	8.0
152.06232	2.1
157.10176	2.3
163.11121	1.6
165.06958	4.9
167.08559	2.1
169.10159	1.9
177.09117	2.0
179.08597	2.7
180.05527	1.6
181.06503	2.0
181.09991	1.5
182.07179	3.4
183.08078	2.1
183.11725	1.7
185.09612	2.0
191.10661	5.8
193.06496	2.5
193.12303	1.9
194.07361	2.4
195.08043	4.6
197.09587	3.0
199.07530	2.1
199.11232	1.4
205.06508	1.8
207.08078	3.1
208.05283	3.0
209.05801	2.4
209.09776	1.7
210.06802	5.4
211.07535	3.3
213.05415	2.3
213.09004	2.8
221.06059	5.1
222.06781	2.9
223.07567	8.0
224.08173	3.9
225.05408	2.2
225.09105	11.5
226.06201	2.6
227.07019	5.4
233.05890	1.8
234.06702	2.8
235.07541	6.0
236.04716	6.1
236.08287	2.9
237.05396	7.1
237.09184	2.5
238.06232	13.4
239.06961	7.6
239.10597	1.7
240.04160	7.0
240.07864	2.7
241.08583	3.3
242.09254	1.6
243.02716	1.7
249.05534	4.5
250.06252	5.5
251.07039	35.3
252.07819	12.5
253.04964	5.1
253.08583	33.1
254.05714	5.6
254.09073	2.2
255.06531	7.9
256.07150	3.0
263.06989	6.2
265.04959	6.5
265.08521	3.8
266.05771	7.9
267.06506	12.8
267.10110	5.4
268.07224	7.4
269.04431	1.9
269.08032	5.1
269.17465	1.8
270.05432	2.0
270.08835	4.5
271.06067	1.8
271.09482	4.4
277.08447	1.8
278.05679	2.2
279.06534	23.6
280.07349	12.2
281.08051	74.8
282.05414	3.1
282.08685	11.8
283.06012	11.0
283.09607	11.0
285.04510	1.8
285.07574	8.3
285.11124	4.8
286.04758	8.6
293.08157	4.0
294.08777	3.4
295.06088	4.3
295.09677	12.9
296.06790	5.9
297.07596	10.0
297.11203	5.7
298.08438	9.9
299.05496	4.8
299.08954	3.6
301.06970	19.6
308.06735	2.2
309.07559	20.0
310.08206	5.5
311.09097	53.1
312.06555	2.4
312.09747	13.1
313.07065	12.6
313.10678	39.1
314.07700	5.4
314.11011	3.8
315.08426	7.4
323.09152	7.6
324.10010	1.9
325.10513	9.0
326.07703	3.3
327.08606	6.4
327.12247	3.9
328.09418	41.6
328.13055	3.5
329.09909	3.2
341.10193	100.0
342.10580	14.4
343.11743	78.4
344.11960	6.4
345.09625	5.8
353.10156	8.6
355.11646	28.2
357.13486	4.2
367.11697	39.6
368.12119	2.8
385.12802	40.1
386.13083	3.6
462.27008	3.8
463.28421	2.2
641.33093	2.3
658.31036	10.6
659.32281	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.6
67.05499	3.5
69.40408	6.8
69.40811	5.0
81.03416	3.1
81.07037	4.5
82.92707	1.5
84.91746	1.7
85.02898	2.4
91.05485	2.3
93.07008	2.9
95.08591	3.3
98.55577	1.6
105.03382	4.8
105.07026	4.0
113.06023	2.1
118.51537	2.0
165.07030	2.9
167.08528	2.7
171.07919	2.0
179.08664	2.0
195.08073	5.1
197.05988	2.4
197.09651	1.9
205.06564	3.1
207.08090	2.9
208.05139	2.5
209.05899	2.5
209.09515	1.9
210.06763	4.8
211.07503	6.2
220.05280	1.8
221.05986	5.5
222.06773	5.6
223.07547	7.5
225.05586	1.9
225.09137	10.7
227.06985	4.4
234.06776	1.8
235.07542	5.5
236.04698	3.1
237.05428	6.6
238.06262	10.6
239.06967	6.2
240.04091	6.1
242.05577	2.8
242.09402	2.4
249.05521	3.3
250.06175	4.5
251.06987	29.5
252.07773	14.0
253.04951	4.3
253.08603	35.8
254.05693	4.7
254.08870	2.5
255.06502	6.4
256.07303	2.8
263.07031	5.6
265.04959	5.3
265.08572	4.4
266.05746	9.7
267.06503	13.7
267.10199	4.9
267.16055	1.9
268.03970	2.1
268.07275	7.3
269.08023	6.6
270.05200	4.5
270.08820	4.0
271.09573	3.9
277.08536	1.9
278.05835	1.9
279.06522	19.9
280.07220	12.1
281.04922	2.4
281.08060	66.2
282.05612	3.0
282.08649	13.5
283.05994	9.3
283.09570	11.1
284.06680	2.1
285.04651	2.2
285.07599	8.7
285.11066	3.3
286.04648	6.6
291.06738	1.9
293.07974	3.8
294.08813	3.3
295.06067	7.0
295.09641	14.8
296.06763	6.6
297.07480	11.1
297.11194	5.5
298.08319	11.4
299.05365	7.1
299.08868	4.1
300.06140	2.5
301.07095	18.5
309.07556	20.9
309.10861	3.4
310.08350	10.5
311.09119	57.9
312.09836	13.0
313.06995	18.5
313.10690	31.7
314.07828	9.0
315.08618	7.9
323.09006	8.2
324.09766	3.7
325.10638	8.7
327.08530	6.7
327.12152	4.0
328.09390	43.4
329.10025	4.2
335.09097	2.8
337.10632	2.5
341.10199	100.0
342.10541	10.2
343.11740	86.5
344.12070	5.1
345.09680	9.3
353.10223	6.6
355.11823	19.7
356.11838	2.2
357.13199	2.7
367.11731	44.4
368.12131	5.6
385.12823	39.2
386.13116	2.0
658.26154	1.9
659.23877	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.7
53.03947	6.9
55.01867	0.6
55.05513	1.2
57.03431	1.1
61.48700	0.6
67.05508	1.7
69.03412	1.0
71.04971	0.9
73.02913	1.7
77.03926	0.9
79.05498	1.4
81.03409	2.0
81.07052	1.4
83.04962	1.2
85.02933	0.8
91.05459	1.9
93.07054	1.0
95.04961	7.5
95.08608	0.9
97.02909	1.5
97.06566	0.7
105.03393	100.0
105.04541	2.9
105.07018	1.7
106.03724	3.1
107.08569	1.1
109.10141	0.8
119.08617	0.8
121.10172	0.6
132.05396	0.6
132.06506	0.7
145.10121	0.7
147.11703	0.8
148.64189	0.6
174.33194	0.6
182.11775	1.3
219.06625	1.4
265.08588	0.8
268.11371	0.6
299.09412	0.7
341.88373	0.6
355.15567	1.6
387.18115	3.5
449.16248	0.7
461.28732	1.2
491.20673	15.3
492.20862	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01871	3.4
55.05515	11.9
55.82199	1.2
57.03431	8.7
65.03945	1.6
67.05505	36.6
69.03417	1.3
69.07056	9.1
70.08133	1.1
70.56441	2.2
70.56764	1.8
71.01373	1.3
71.04986	3.1
79.05494	45.6
80.05810	2.0
81.03421	6.1
81.07061	22.2
83.04984	10.5
83.08617	5.7
85.02866	1.6
85.06553	2.8
91.05476	25.4
93.07047	48.5
93.07630	2.8
95.04964	8.0
95.08601	14.1
97.06535	5.8
97.10172	4.2
103.05482	1.3
103.74162	1.3
105.04501	2.4
105.07027	20.7
107.04979	3.7
107.08592	19.3
109.06545	4.1
109.10169	4.2
117.07027	8.3
119.08597	12.5
121.06506	2.2
121.10149	6.0
123.08062	3.8
129.07019	8.2
131.08588	2.2
133.10143	5.7
135.08014	1.8
135.11694	21.0
136.12000	1.6
143.08563	3.9
145.10095	9.5
147.08095	1.7
147.11664	13.9
157.10120	1.5
159.11702	1.6
161.09630	2.7
161.13272	5.1
163.11194	3.7
165.16750	1.4
171.11653	9.4
181.12265	3.6
189.12750	3.7
207.13821	11.6
255.15900	28.8
256.16333	1.8
281.17456	19.4
323.09100	1.7
381.80783	1.4
454.99036	1.3
461.28967	100.0
462.29312	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.8
56.25608	2.7
58.05263	3.0
65.81297	3.1
66.89581	2.6
69.28712	21.5
80.94864	6.5
82.94556	26.1
83.04964	2.9
83.22045	3.0
98.22650	7.2
105.03397	7.1
149.02393	4.1
165.07053	3.4
176.93433	2.6
179.08591	4.1
200.61494	2.8
205.06572	6.4
205.80737	3.1
207.08240	3.2
209.09714	4.8
222.06825	5.4
224.08360	4.7
233.05991	5.2
234.06778	3.4
235.07616	8.4
236.08324	5.5
237.05475	4.8
237.09082	7.1
238.06357	3.2
239.10744	5.8
241.08386	3.0
247.07680	3.3
250.06369	7.7
251.06984	8.0
252.07832	12.5
254.05785	5.7
263.07031	5.2
264.08026	3.4
265.04999	4.4
265.08658	23.8
266.09357	4.7
267.06393	7.1
267.10245	15.1
268.07199	5.3
271.05856	3.8
277.05048	3.0
279.06671	3.8
280.07242	5.9
281.08051	7.9
282.05453	5.3
282.08688	4.6
283.09531	3.7
291.06641	6.3
293.08057	26.1
295.06339	5.5
295.09622	35.5
296.06958	3.6
296.10168	4.3
297.07748	4.8
297.11130	3.7
299.09048	5.0
300.06247	4.4
309.07593	8.8
310.08395	6.1
311.09097	4.0
313.07010	3.9
315.08463	13.3
323.09286	6.3
325.10721	27.2
326.11359	6.7
327.08636	12.2
327.12103	5.2
328.09418	5.0
329.10214	12.3
340.09238	4.2
341.10114	6.7
342.10992	24.4
355.11777	100.0
356.12213	3.7
357.13263	50.9
367.11960	6.9
370.10434	3.0
381.13507	4.6
399.14362	13.0
406.53992	3.0
437.09973	42.1
537.15277	67.9
538.15808	4.0
559.13843	17.5
619.56104	3.5
641.22437	3.8
659.18738	60.3
659.31549	3.2
659.34314	3.3
660.19049	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	20.9
59.85686	1.4
65.94363	1.3
69.87293	7.5
69.87576	1.8
70.20676	1.6
79.05492	2.2
80.26702	1.9
84.96037	4.4
91.05502	3.2
91.70695	1.6
98.23300	1.9
98.92129	1.5
98.92860	1.7
106.17943	1.7
119.04858	1.7
123.04480	2.9
123.07906	1.5
129.06924	1.6
131.04893	2.7
131.08591	2.1
133.06535	2.2
137.05981	10.3
143.00145	4.5
145.10164	1.6
151.03970	2.1
151.07552	9.8
155.00131	3.3
161.01225	4.6
161.06029	7.5
163.07535	4.4
165.09055	2.0
169.01747	2.8
173.01198	4.8
173.06013	1.7
184.07283	1.8
187.02791	3.9
189.09096	5.7
191.10709	3.5
195.03188	2.0
196.88857	1.7
199.02776	2.5
201.04227	2.1
207.10260	4.8
209.04828	2.0
209.11641	2.0
211.02888	2.0
213.04410	2.2
219.07050	1.9
221.04936	2.2
223.06311	3.8
233.04884	3.4
235.06355	1.7
237.04330	3.5
237.07967	4.0
239.05743	3.7
241.03773	3.1
241.07396	2.3
247.06448	1.9
249.04398	5.4
251.05855	7.4
257.07965	3.2
259.06473	2.8
261.03970	1.7
263.05829	3.6
264.48074	1.5
265.07700	1.9
267.05380	7.3
269.06769	3.3
271.09634	1.8
273.04309	2.2
277.07483	3.5
281.06967	3.8
283.09589	3.4
289.07410	2.2
291.05280	1.7
293.07111	1.8
301.07452	4.8
303.09235	1.8
303.13525	1.9
313.07352	1.7
317.06906	3.7
319.08475	4.6
329.07010	4.3
331.08585	7.1
333.10190	2.3
335.08041	3.6
343.08908	1.9
347.08307	2.3
349.09729	3.8
359.11829	2.6
387.11334	2.9
427.14154	2.3
445.16400	2.9
461.16653	2.6
462.48956	1.8
463.17630	2.9
489.15872	7.3
507.16833	22.5
508.16992	2.0
525.18066	9.3
535.16016	1.9
554.61487	1.9
581.17017	25.1
582.16718	3.9
599.18011	100.0
600.18542	10.0
617.19025	24.7
618.18921	3.1
659.19104	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43387	0.4
55.05436	1.1
57.07020	0.7
60.73097	0.3
67.05434	1.1
67.05748	0.4
67.26943	0.3
75.04401	0.4
75.20459	0.3
77.71745	0.4
79.05438	0.8
81.06977	1.4
83.04878	0.6
85.06448	8.0
91.05389	0.5
93.06978	0.6
95.04886	0.5
95.08511	0.8
98.22549	0.7
105.06963	0.4
113.05908	1.2
117.06909	0.5
127.07504	0.5
138.73839	0.4
153.54633	0.3
168.72829	0.4
183.07947	0.6
187.09673	1.9
191.13264	0.4
195.08066	0.5
199.07355	0.5
210.06741	0.6
211.07468	0.9
227.07039	0.8
237.05350	0.4
238.06129	0.9
239.07007	3.2
240.04150	2.4
241.04567	0.5
241.08441	0.7
251.06938	1.7
252.07576	0.5
253.04924	0.5
253.08455	1.4
254.05644	0.6
255.06320	0.6
256.07138	0.6
257.08075	0.4
263.06976	0.5
265.04752	0.4
266.05487	0.9
267.06516	18.8
268.03738	0.5
268.06860	1.4
269.07916	1.4
269.17468	0.8
271.06058	0.7
271.09436	1.1
277.08527	0.5
278.09375	0.4
279.06372	1.2
279.09988	0.4
280.07343	0.7
281.07968	2.6
281.11017	0.5
283.06094	0.9
283.09424	0.9
284.06735	0.5
285.07510	0.9
286.04727	3.0
287.05359	0.7
293.04221	0.7
293.07782	0.7
294.08749	1.1
295.06058	0.8
295.09613	1.4
297.07623	5.3
297.10904	0.6
298.07928	0.9
299.05667	0.9
299.08969	1.8
300.07184	0.4
301.07065	4.3
305.08023	0.5
306.08633	0.5
308.02838	1.1
309.03894	0.6
309.07440	1.3
309.10965	0.8
310.08197	0.7
311.09073	1.4
312.09918	0.6
313.06866	1.7
313.10669	1.1
314.07993	2.4
317.07770	0.9
321.07581	0.8
323.05167	1.5
323.09067	1.1
324.05988	0.9
324.09747	0.5
325.06879	0.5
325.10553	1.3
327.08469	1.5
328.09491	1.8
329.10202	5.4
330.10590	0.9
331.05826	0.6
331.09241	0.5
335.08997	0.9
336.09769	0.8
337.06754	0.4
337.10645	0.9
338.08044	0.5
339.12283	0.8
343.11584	0.9
349.06775	0.5
351.08163	1.0
351.12180	3.3
352.09360	0.5
353.09970	0.8
355.11713	1.1
357.13159	0.5
359.09039	0.5
363.08429	0.9
367.11575	1.3
370.10391	1.7
373.06708	0.6
374.07440	0.5
375.08347	1.6
376.08820	0.9
381.13309	0.6
385.12790	7.5
386.12851	0.6
389.09714	0.9
391.07742	0.8
393.09512	5.3
406.10141	1.1
407.11090	4.8
408.11417	0.8
413.15936	6.7
414.16287	0.6
421.08221	0.8
421.13101	0.6
424.11154	1.7
425.11978	1.8
436.11127	0.7
451.13602	1.7
463.30734	2.1
469.18613	3.6
475.17401	0.7
477.15112	1.1
487.19568	1.4
491.16888	5.0
492.17062	0.5
495.12570	5.6
509.18082	2.0
519.15942	0.9
537.17303	100.0
538.17627	11.8
578.19916	0.6
613.20770	0.9
659.20966	12.7
660.21649	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36330	9.9
55.05513	19.1
57.07055	13.6
65.67676	10.2
67.05498	35.6
69.07062	18.2
73.49825	10.1
79.05479	13.1
81.07059	38.9
83.08620	17.6
89.06040	40.5
91.05502	21.4
93.07058	35.4
95.04971	12.5
95.08620	31.2
107.08598	21.8
109.10149	15.0
119.08624	13.3
121.10149	16.4
130.22156	9.1
131.08551	18.3
133.08545	18.1
133.10147	12.9
155.01126	15.9
177.11130	9.9
178.38322	11.4
233.91911	10.4
235.13313	12.6
335.26230	11.1
379.67197	12.1
477.13821	11.8
487.33609	12.1
560.96338	12.4
659.22510	100.0
659.40698	10.8
660.22650	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86843	3.4
53.03948	7.2
55.01871	25.3
55.05270	5.8
55.05510	56.0
57.03448	19.1
57.07071	19.8
59.89498	3.5
67.05511	67.9
69.07072	54.9
71.04997	4.5
71.08634	12.2
73.02932	8.8
77.25169	3.1
79.05492	55.7
81.03427	14.0
81.07059	89.6
82.07369	4.9
83.05001	7.3
83.08623	50.3
83.81284	3.1
85.06559	6.4
85.10202	5.2
91.05482	37.5
93.07041	46.4
95.04427	3.0
95.04977	11.5
95.08616	36.4
97.06534	15.0
97.10169	23.8
98.22996	25.3
98.98472	100.0
99.08110	3.1
105.07050	15.3
107.04967	3.7
107.08595	29.2
108.27020	3.4
109.06519	6.5
109.10179	11.5
111.08115	8.8
111.11709	4.1
114.54022	3.4
117.06996	16.2
119.08572	12.4
121.10136	29.7
123.11655	4.8
125.70352	3.4
131.08557	14.3
133.08574	4.3
133.10146	13.4
135.11687	12.9
136.99969	4.2
145.10126	5.9
147.11678	6.9
149.13261	32.3
155.01047	73.8
159.11696	18.8
173.02196	4.0
175.15407	3.6
177.12755	32.5
177.91745	3.8
195.13776	18.6
201.16234	3.9
207.76819	3.6
209.84822	3.6
233.15279	5.1
237.22102	16.4
240.17427	3.8
251.16405	49.9
269.17477	35.1
311.25800	60.7
312.25970	5.2
313.27292	6.4
349.14127	15.1
355.15390	13.7
356.15884	11.0
387.18481	16.3
405.16632	17.6
423.17810	9.3
487.38098	6.5
505.38876	44.1
506.39435	4.0
612.22400	4.8
641.38544	3.8
659.38373	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61987	0.6
51.97119	0.7
69.31776	5.6
105.03384	3.1
124.99709	0.7
165.07028	0.9
166.07770	1.3
176.06078	0.8
178.07712	1.2
179.08517	2.1
181.06436	1.1
183.08076	0.8
189.06993	0.7
194.07204	3.5
195.08058	1.8
197.09663	0.9
205.06401	2.3
206.07141	2.0
207.08102	2.7
208.08868	1.4
209.05983	1.3
209.09535	1.5
210.06754	0.9
211.07532	1.1
219.08073	2.6
221.05956	1.8
222.06715	6.6
223.07492	2.8
224.08304	2.6
226.06223	1.3
232.05209	1.2
233.05983	2.7
234.06729	2.9
235.07518	6.4
236.08296	2.9
237.05452	2.8
237.09029	6.0
238.06236	2.4
239.07033	2.5
239.10641	4.1
240.07742	2.4
241.08698	1.2
247.07504	1.4
249.05397	1.6
249.09189	1.2
250.06239	8.3
251.06989	4.8
252.07816	7.3
253.04858	1.8
253.08438	1.3
254.05734	3.7
254.09550	1.2
255.06445	1.2
257.04410	1.3
261.05405	1.6
262.06268	1.6
263.07031	3.4
264.07669	4.7
265.05264	1.9
265.08569	16.4
266.05728	2.0
266.09225	3.4
267.06546	3.7
267.10147	11.6
268.07281	4.2
268.10532	0.9
269.08072	1.5
271.06088	1.8
277.05045	1.3
277.08575	1.1
278.05844	1.4
279.06567	3.5
280.07291	6.4
281.04190	0.8
281.08121	2.6
281.11472	0.9
282.05420	1.2
282.08813	3.4
283.09555	1.7
284.06662	1.1
284.10138	1.3
285.07718	1.0
291.06488	2.9
292.07233	4.4
293.04758	1.5
293.08051	26.8
294.05460	1.0
294.08511	3.6
295.06049	2.8
295.09583	20.6
296.06778	2.2
296.10107	1.6
297.07535	4.3
297.11188	3.0
298.08221	1.0
299.09100	3.2
299.12320	1.1
300.06256	3.0
301.06851	1.5
305.08069	1.1
306.08725	1.1
307.05746	0.9
308.06848	2.4
309.07446	3.6
309.11053	1.2
310.08328	4.3
311.08994	3.8
312.09833	2.3
313.07034	2.6
314.07889	2.2
315.08722	8.7
321.07526	1.2
323.09097	7.5
324.09821	2.5
325.07184	1.8
325.10651	22.8
326.11185	3.2
327.08603	5.7
327.12277	3.2
328.09244	3.0
329.10178	7.5
335.08932	0.9
337.10779	2.1
339.12421	1.2
340.09299	3.4
341.10208	4.1
342.10904	15.4
343.11417	2.1
355.11737	100.0
356.12094	11.3
357.13303	41.8
357.17838	1.4
358.13794	3.9
359.11118	1.9
367.11716	3.4
368.12518	1.1
369.13159	1.3
381.13281	2.9
399.14297	10.9
400.14548	1.3
438.10696	1.0
560.13678	1.2
660.18811	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23616	3.5
53.03965	3.8
54.97713	3.6
55.05503	13.1
57.03427	4.4
57.07067	13.2
64.21629	3.4
67.05496	24.6
69.07055	16.4
71.08624	10.6
71.30009	5.1
79.05486	11.7
81.07066	29.8
82.33174	3.8
83.08617	15.0
86.69798	4.0
91.05460	13.7
93.07044	22.9
95.04951	3.8
95.08601	13.1
97.10164	5.8
98.98474	15.4
99.41497	3.7
105.07000	6.1
107.08582	12.3
109.10165	7.1
121.10156	6.6
127.11105	5.0
149.13326	4.4
155.01053	10.7
207.50870	4.4
229.14389	7.7
251.10666	4.7
256.07199	5.3
263.10773	10.0
264.11624	5.1
265.08688	8.2
269.17413	9.7
277.08484	7.5
280.11014	8.3
291.10196	4.3
291.19647	11.6
295.13239	12.2
312.26129	4.4
313.27499	19.9
323.12738	8.0
324.13507	11.4
335.25784	6.9
340.13040	6.9
355.15353	100.0
356.15955	14.4
387.18130	24.5
443.76022	4.6
467.37076	5.9
506.39243	5.8
507.40482	13.2
517.57483	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43148	2.2
52.93806	2.5
55.05505	2.2
57.07072	2.9
61.11335	2.5
65.43015	2.4
67.05515	2.9
70.46641	7.0
71.28773	2.1
81.07069	4.4
85.44328	2.3
131.51604	2.3
145.10152	2.3
248.08235	3.0
249.09056	5.3
251.10698	3.1
263.10684	6.9
265.08670	9.4
277.08664	7.3
278.09238	2.9
280.10971	8.9
293.08035	3.0
294.08707	3.1
295.13327	8.5
297.11301	4.0
309.11255	8.2
323.12808	11.9
324.13632	6.2
325.10690	3.6
340.13071	2.9
355.15408	100.0
356.15900	13.9
359.04456	2.5
387.18216	12.8
442.50665	2.6
483.97867	2.8
672.93439	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.6
55.01881	5.4
55.05512	51.1
57.03435	24.4
57.06833	4.4
57.07080	45.5
67.05506	95.7
69.07083	21.2
69.77863	18.6
71.04990	5.8
71.08631	39.4
79.05486	33.0
81.07062	74.9
83.04982	32.1
83.08626	27.8
84.05296	5.7
85.10178	17.8
89.06017	4.3
91.05488	23.8
93.07043	27.7
95.04976	6.1
95.08617	40.3
97.10167	18.4
98.51321	4.4
99.08097	4.5
105.07015	18.8
105.22202	4.0
107.08588	16.7
109.06535	5.0
109.09441	5.9
109.10159	48.3
111.08089	5.6
117.07047	7.1
119.04910	5.6
119.08602	15.1
121.10145	5.3
123.11720	7.4
125.09645	10.4
133.10135	10.9
135.08139	5.2
147.11702	11.7
149.13252	11.6
151.11140	4.9
161.13242	7.0
173.11722	10.6
189.11316	5.4
203.17957	12.9
204.18254	9.4
211.87227	4.6
227.12793	26.4
229.14391	51.1
269.17419	24.3
277.21628	19.4
313.27359	100.0
351.25220	14.2
369.26456	12.0
467.37469	34.4
468.37411	6.7
507.40363	50.2
508.40906	7.2
589.47736	13.8
607.49396	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89371	1.1
68.99800	1.0
69.85889	3.9
70.06596	2.6
70.10628	1.0
75.69017	1.1
98.22693	1.4
100.37782	1.1
101.00876	1.3
114.77409	1.1
119.01933	2.9
123.04443	6.7
127.03939	1.8
135.04404	2.2
139.03915	5.9
147.04405	1.3
151.03911	2.4
158.44200	1.1
163.02513	2.0
163.03899	3.0
168.02718	2.5
169.03499	1.3
173.06158	1.2
175.11879	5.1
181.03473	17.8
181.05034	1.0
181.06363	1.2
182.03723	1.2
183.05002	1.7
185.02934	2.1
187.03954	2.2
193.03430	6.9
195.05014	2.0
197.02971	4.5
199.04527	6.1
200.04793	1.0
201.05513	1.7
203.03520	3.0
207.05099	1.9
209.03012	3.1
211.04526	2.7
213.02429	2.0
213.05746	1.9
215.03831	4.6
217.03485	2.7
221.02962	14.7
223.04507	3.7
227.03957	1.7
229.05046	10.5
233.06563	2.2
235.04530	4.0
237.05547	1.1
239.04001	26.8
239.81276	1.0
240.04230	2.5
241.05331	2.3
243.04993	1.6
245.02896	1.6
245.06735	2.1
247.04399	2.0
249.02458	1.3
249.81281	0.9
251.03996	3.2
253.05212	1.3
255.06732	1.5
257.04456	90.6
258.04800	4.5
259.04443	2.3
261.06232	1.9
263.04007	6.8
265.05069	2.9
271.04193	1.7
271.06277	1.6
273.06186	1.8
275.07632	1.7
279.07272	1.7
281.04916	4.9
283.04620	4.0
284.05267	1.3
285.03223	1.1
285.06097	3.6
286.02914	1.3
287.04071	6.4
287.07529	1.9
289.05533	3.7
291.03748	1.6
291.06924	1.4
295.04642	7.0
297.02750	1.4
297.05997	2.0
299.04147	2.1
301.05603	6.9
303.07138	1.4
305.04944	5.4
311.04025	5.3
311.49509	1.1
313.05484	10.3
314.05927	1.2
315.00131	1.6
315.03522	20.1
315.06952	1.4
316.03845	1.8
317.05267	1.7
323.03894	12.0
324.04401	1.2
325.05643	1.5
327.03583	1.5
328.04163	1.1
329.05038	15.0
330.02228	3.5
331.06604	3.6
333.04559	22.6
333.08383	1.9
334.04950	3.2
339.03409	7.4
339.07065	1.4
341.05048	36.0
342.05350	3.7
347.06146	6.6
348.03244	4.4
353.05099	1.5
355.06732	1.4
357.04544	100.0
358.04785	12.0
359.06049	11.6
365.05142	4.5
371.06036	5.4
373.07608	3.9
375.05634	42.5
376.05780	4.1
377.07211	1.5
379.06589	1.4
380.06277	2.4
383.06119	19.4
384.06189	1.9
389.07394	5.1
391.08603	3.3
393.06912	6.4
398.07275	2.5
401.07199	21.5
402.07224	2.7
403.06693	2.3
405.08209	1.6
406.05136	7.7
407.05658	5.6
408.06433	2.0
420.06354	1.5
421.07455	4.6
431.06262	6.3
432.06512	1.3
449.07150	31.6
450.07373	4.3
463.08472	1.2
467.08215	38.0
468.08444	4.7
473.07089	1.2
475.08600	3.5
485.09219	3.8
490.09653	1.7
491.08395	5.3
492.07983	1.5
493.09711	3.0
509.09296	54.6
510.09647	8.3
527.10284	18.3
528.10315	3.7
583.10474	1.6
601.11298	4.0
619.12598	2.9
661.13831	10.5
662.14166	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
58.27812	0.7
64.90926	0.7
71.47707	0.6
79.05510	1.0
88.03608	0.7
91.05502	1.3
96.60442	0.6
97.02715	0.9
103.05437	0.9
107.04959	10.1
109.02676	1.0
111.81986	0.7
125.47242	0.7
127.03674	5.7
131.04988	1.1
135.08070	1.3
137.05978	1.9
138.71866	0.7
138.84409	0.8
139.03842	1.2
141.05292	1.4
151.03848	0.8
155.03220	1.0
163.07491	3.6
164.07942	0.8
171.02672	2.8
171.04022	0.8
173.04283	0.8
186.06520	6.1
203.05286	1.6
226.40926	0.7
245.06693	0.8
273.05933	1.1
275.07678	0.9
289.09006	1.8
299.07343	5.7
317.08353	9.5
333.08127	3.1
335.09488	9.3
335.13251	0.8
336.09790	0.9
351.45816	0.8
437.86209	0.7
497.16028	0.9
627.66797	0.7
633.01038	0.8
661.24615	100.0
662.25006	13.6
682.35278	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14141	0.9
58.20261	0.9
66.38746	1.1
71.31850	1.4
86.96595	1.0
103.05499	5.1
115.84737	1.1
131.04912	7.8
137.06017	2.1
139.28340	1.1
163.07539	1.7
401.16257	2.2
401.40997	1.1
414.12903	1.1
416.14127	1.8
416.18979	1.6
417.15317	1.3
428.15045	1.4
429.15585	9.5
430.16418	3.7
431.17340	6.5
432.18393	1.8
440.14709	1.1
442.16638	2.4
443.12317	1.2
443.17337	4.2
444.18271	8.6
445.18546	3.9
454.16422	3.0
455.16998	3.5
456.18121	5.0
457.14432	16.6
458.15524	3.9
459.16534	1.2
468.18179	1.9
469.18716	3.8
470.19156	1.1
471.16309	9.3
472.17380	25.9
473.17889	6.0
483.16766	1.2
486.16718	1.2
497.18381	3.3
500.17551	1.7
501.17648	2.4
502.18509	1.5
515.19122	4.7
515.27087	1.0
516.19885	1.7
530.21594	2.3
531.22382	9.5
532.22644	1.8
556.19196	1.5
559.21869	55.2
560.22375	9.3
587.21045	4.9
588.21625	1.3
590.23901	1.4
618.23181	4.5
619.23981	100.0
620.24048	15.0
629.22717	2.7
637.82666	1.2
661.24969	73.3
662.25250	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57444	0.6
50.82131	0.6
60.41317	0.6
69.17082	5.1
82.25884	0.7
83.77447	0.7
88.90503	0.6
98.23393	1.4
103.05423	2.7
131.04945	5.3
137.05986	1.0
153.01813	0.8
157.80756	0.8
161.05916	0.8
163.07430	1.0
225.05614	0.7
323.78586	0.7
387.14786	0.8
401.16098	1.8
402.13632	0.8
413.16608	0.9
415.13394	1.2
415.18262	1.1
416.18875	1.0
417.16229	0.9
419.17197	0.9
428.14734	1.2
429.15533	8.2
430.16537	3.9
431.17261	7.3
432.17676	2.1
435.18301	0.9
440.14932	1.0
441.15619	1.8
442.16376	1.9
443.18127	4.1
444.18140	10.5
445.18890	3.6
446.16571	0.8
447.16434	0.9
454.16272	4.2
455.17520	3.2
456.18198	2.4
457.14426	18.1
458.14413	3.5
459.16595	1.3
462.18845	0.9
467.17432	0.8
469.18784	4.8
470.18982	1.0
471.15897	7.3
472.17410	27.8
473.18069	6.5
475.19601	0.9
482.15793	1.0
482.53891	0.8
485.18948	1.0
490.18286	1.2
491.19162	0.8
497.18463	3.8
498.18777	1.0
500.16782	3.1
501.17566	2.2
502.18213	1.1
515.19330	4.7
516.20117	1.3
517.20453	1.1
527.19788	1.0
530.22223	1.0
531.22424	11.0
556.19653	2.4
557.20221	0.9
559.21912	54.5
560.22253	11.0
587.21539	5.8
588.21582	1.2
601.21240	0.9
618.23303	4.5
619.24017	100.0
620.24231	17.3
629.22394	2.4
630.22260	1.0
643.23926	2.3
661.25043	74.9
662.25250	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83100	0.3
56.57508	0.3
57.07045	0.5
67.05490	0.8
69.07063	0.6
69.59435	1.5
79.05515	0.4
81.07047	0.7
87.04454	0.8
91.05493	0.7
93.07050	0.6
95.08601	0.8
97.06568	0.4
98.22562	0.3
98.98470	0.3
105.07027	0.4
107.08613	0.5
109.10153	0.5
133.10156	0.4
153.70668	0.3
159.11719	0.4
173.13174	0.3
240.87209	0.3
313.39453	0.3
433.30594	1.7
445.30905	0.7
463.32007	1.2
467.28281	0.4
475.92935	0.3
489.29596	1.8
507.30804	23.8
508.30908	2.5
525.31848	100.0
526.32208	11.4
526.40375	0.4
643.45343	0.4
661.44250	2.5
662.44568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.9
57.07072	1.1
57.81628	0.7
60.94018	0.7
67.05499	1.9
69.39501	0.7
71.08628	0.7
71.30114	1.0
79.05481	1.7
81.07063	3.3
85.74388	0.7
87.04457	2.6
91.05510	1.4
93.07049	1.5
95.08618	2.5
105.07038	1.3
107.08594	1.2
109.10145	2.1
109.82650	0.7
117.07076	0.9
119.08584	1.3
121.10213	1.0
123.33489	0.9
133.10106	0.9
136.10229	0.8
151.11342	0.8
198.36972	0.7
463.31516	1.0
507.30756	16.6
508.30777	1.1
525.31836	100.0
526.32220	11.7
661.23779	1.0
661.44006	2.2
662.45374	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.4
55.05513	72.5
64.38451	1.7
67.05495	7.8
69.07073	2.6
70.36774	6.1
75.04480	1.8
79.05497	3.5
81.03410	2.5
81.07073	7.2
83.04981	100.0
87.04449	2.6
90.03323	1.6
91.05467	10.8
93.07045	4.4
95.04981	3.6
95.08606	3.8
97.06503	1.6
99.04456	3.1
100.13223	1.6
103.05457	19.3
105.03407	11.8
105.07043	7.7
107.08600	4.5
109.10138	3.6
115.03996	2.1
115.05471	6.5
115.74123	1.6
117.07009	4.0
119.04963	2.8
119.08602	4.0
121.06517	22.0
121.10133	2.7
129.06982	2.0
131.04929	32.4
131.08588	4.5
132.05629	2.0
133.02827	2.3
133.10114	2.6
141.07014	3.9
142.43225	1.6
143.08646	2.6
145.06477	3.7
145.10170	3.8
147.08029	1.7
152.06203	2.2
153.06941	3.2
155.04924	2.2
155.08521	2.6
157.10097	2.1
159.04437	2.7
166.07733	2.4
169.10045	2.3
171.08008	3.2
173.05963	3.3
175.03885	2.2
178.07866	4.2
179.08572	4.6
183.04369	2.4
187.07582	5.0
189.05450	2.1
193.06517	1.8
193.10295	2.1
195.08118	2.6
199.07532	2.6
201.05569	1.9
201.09192	3.9
203.06892	2.1
203.08626	3.0
203.10626	2.2
205.04921	4.0
207.08142	2.8
207.10127	2.5
209.05911	2.3
211.07555	2.5
213.05402	4.3
215.07011	5.6
219.08221	1.9
225.05516	2.7
225.09195	1.8
226.06296	4.0
227.07033	3.4
229.08495	2.2
235.07562	7.1
237.05527	2.2
237.09122	2.3
238.06259	2.7
239.07016	5.7
241.04916	2.0
241.08583	3.6
247.07469	2.7
247.09692	3.0
249.05563	3.5
249.08971	2.3
250.09914	2.3
251.07141	2.9
252.09410	2.2
253.08470	2.6
255.06609	2.7
263.07074	5.3
264.07776	2.5
265.05170	2.2
265.08655	6.1
266.05743	3.3
266.09064	1.9
268.07306	1.8
269.07941	4.2
275.07224	2.4
277.08618	2.8
279.06488	5.0
280.07455	2.5
281.05264	1.9
281.07770	8.7
283.09738	3.8
287.06924	1.7
293.08121	2.0
294.08716	2.3
299.09164	4.7
307.06259	2.0
307.10760	2.3
309.08881	2.3
322.08530	2.9
323.09171	8.7
325.08273	2.4
335.10471	2.6
337.08331	2.6
339.09888	2.6
349.08380	2.3
351.09915	4.2
353.07886	3.8
354.08688	3.1
355.09500	2.9
355.15460	3.7
357.12451	2.1
363.10068	2.6
364.10892	2.8
365.11429	5.8
366.12476	2.3
367.12448	5.7
368.10410	10.8
369.11005	8.9
376.10831	2.1
377.11765	2.4
380.10211	2.3
381.07297	3.5
382.08099	3.0
387.17908	3.0
391.13196	3.7
393.11276	6.7
395.12613	5.5
397.10220	10.7
404.10037	2.1
408.13589	2.6
409.14328	6.1
411.12317	7.6
419.12717	6.0
421.10641	2.5
422.10718	2.3
423.15720	2.9
425.13995	2.4
426.14392	2.3
427.15433	4.9
435.12558	3.8
436.13263	2.3
437.13736	7.2
439.16238	2.5
441.16803	3.9
443.14902	7.2
451.15610	12.2
453.13147	4.2
463.11963	2.2
467.14789	5.1
469.16690	8.9
471.13922	14.6
485.16028	3.2
495.14279	3.4
499.17416	2.5
513.15405	6.7
514.15674	2.2
662.41766	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	5.7
61.17575	3.0
63.34544	2.8
78.34335	2.7
78.55453	2.9
84.59610	3.3
87.04465	22.8
125.77299	3.4
136.27936	3.1
154.46501	3.2
228.80724	3.2
249.94048	3.4
277.21692	4.3
301.84821	3.1
307.73788	2.9
400.17319	3.0
421.30591	3.7
431.18735	6.3
433.23920	8.0
444.19208	4.4
445.20334	5.8
446.16867	4.8
447.17883	4.4
459.21866	41.6
460.22363	10.7
461.23102	4.2
475.21127	17.3
476.21793	5.4
487.24814	4.3
519.23828	7.0
533.21753	3.5
535.23138	3.5
547.27100	28.7
548.27008	4.4
563.26379	3.7
593.23633	9.6
605.27069	5.1
606.28394	100.0
607.28796	17.4
622.27777	59.9
623.27991	11.2
662.29303	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63325	1.6
53.03954	2.6
55.01873	4.1
55.05513	17.7
57.03433	19.0
61.02937	3.8
67.05503	45.8
69.03140	14.1
69.03512	2.4
69.07071	13.3
71.01353	3.0
71.04996	7.5
79.05494	44.2
81.03414	63.0
81.07056	31.1
83.04979	24.4
83.08614	20.0
83.09061	2.4
85.02905	20.6
85.06551	2.6
91.05486	33.9
93.07043	46.3
95.04967	20.9
95.08601	12.2
97.02917	2.6
97.06507	11.2
97.10161	8.9
99.08102	2.1
105.07034	18.3
107.04987	5.2
107.08592	27.5
109.06511	3.3
109.10173	6.1
111.04463	3.2
111.08055	12.1
113.04087	1.9
113.06018	3.6
117.07040	4.4
119.08578	15.5
121.06511	2.5
121.10130	12.4
123.08059	3.6
125.05945	1.9
129.06998	9.1
131.08595	6.6
133.06541	2.5
133.10098	8.8
135.11679	39.0
137.73674	1.8
142.07790	2.7
145.10152	7.4
147.08018	2.2
147.11647	13.0
149.09621	3.2
157.10109	12.2
163.11215	5.7
165.12781	2.9
175.11159	11.3
181.12253	7.9
193.12234	34.2
193.13808	3.3
211.13286	50.4
212.13660	2.6
255.15907	80.2
256.16302	4.8
267.15900	30.0
285.16949	28.2
286.17566	2.3
397.24817	2.2
447.27438	70.6
448.27991	5.9
465.28479	100.0
466.28763	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.5
53.03939	3.2
55.01875	3.3
55.05512	19.6
56.05826	0.5
57.03436	22.3
57.07045	1.6
58.03745	0.5
59.04986	0.7
61.02928	3.7
61.37029	0.4
65.03941	2.3
67.05504	46.5
68.05820	0.9
69.03418	3.7
69.07066	15.0
71.01347	3.6
71.04997	6.8
71.30419	0.5
73.02888	1.3
73.06582	0.4
79.05493	46.9
80.05816	0.8
81.03419	49.8
81.07056	34.9
82.03718	1.2
82.07405	0.8
83.04980	19.2
83.08614	19.2
85.02905	17.8
85.06543	4.1
86.09692	2.4
86.46425	0.4
91.03944	1.0
91.05479	31.0
92.05814	1.0
93.07045	47.7
94.07345	1.6
95.04967	19.6
95.08603	12.3
96.05304	0.7
96.08892	0.6
97.02901	4.2
97.06533	11.1
97.10168	10.2
98.56393	0.4
98.98483	0.4
99.04431	1.0
99.08067	1.9
103.05431	0.8
105.04523	1.1
105.07032	16.7
107.04956	5.3
107.08593	31.4
108.08904	1.2
109.06525	3.8
109.10160	6.5
111.04414	1.8
111.08086	8.4
111.11704	0.9
113.05981	1.9
115.05420	1.4
117.07021	5.6
119.04901	0.7
119.08579	18.7
120.08929	0.7
121.06528	2.5
121.10152	11.7
123.08065	2.2
123.11707	1.0
124.99959	1.7
125.05946	0.7
125.09620	2.2
127.03898	0.6
127.07496	0.5
128.06189	0.6
129.07007	7.1
130.07814	0.7
131.08556	7.2
133.06461	1.6
133.10132	10.6
134.10396	0.7
135.08017	1.3
135.11690	42.0
135.30312	0.4
136.12010	1.5
137.05902	0.7
137.09637	2.6
139.07521	0.5
141.06970	0.5
142.07779	2.2
143.08542	0.9
145.10126	8.0
147.08061	2.3
147.11700	10.4
149.09608	4.3
151.11188	0.8
153.06882	0.4
153.12691	1.8
157.08894	0.7
157.10129	9.9
163.11183	6.5
165.12744	2.4
175.11185	9.9
181.12224	11.0
184.07350	7.6
193.12247	29.8
194.12543	1.4
199.13310	1.7
211.13289	41.6
212.13631	1.9
227.95558	0.4
237.09251	0.4
249.14893	0.9
250.06306	0.6
255.15909	100.0
256.16266	5.8
263.07187	0.8
265.08575	1.1
267.15912	20.4
268.16269	0.8
285.16971	24.7
286.17242	1.2
293.08063	0.8
308.06598	0.5
311.08868	0.8
321.07477	0.6
323.09085	0.6
325.10944	0.6
353.10257	1.5
355.11591	1.0
365.10251	0.7
373.23840	0.7
383.11206	4.2
384.11279	0.5
403.24768	0.7
421.25943	0.9
447.27414	35.5
448.27731	4.5
465.28479	91.2
466.28845	9.7
609.32245	0.8
662.37000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88029	5.4
55.05510	25.7
57.03439	15.6
57.07084	9.5
65.03931	6.8
67.05510	100.0
69.07069	28.1
69.33398	43.6
79.05498	85.8
81.07065	94.8
83.04986	10.0
83.08639	11.5
85.68204	6.5
87.04466	46.4
91.05489	59.2
93.07053	88.4
95.04935	8.0
95.08592	51.3
97.06540	13.6
97.10185	8.0
105.07024	48.9
107.08605	44.1
109.10159	20.8
117.07037	13.7
119.08580	38.6
121.10136	32.3
123.11743	7.4
125.09628	7.1
129.07036	8.1
130.07861	6.3
131.08580	18.9
133.10143	22.9
135.11714	21.5
143.08540	12.3
145.10129	16.3
147.11729	7.7
149.09680	8.1
149.13258	12.0
159.11688	13.4
161.13281	6.6
163.11208	11.9
173.13269	10.1
217.64972	5.8
255.15996	9.5
257.18869	6.8
261.22198	9.3
269.17545	10.7
275.20142	19.0
303.26227	7.7
335.25842	54.6
349.23944	13.1
372.09180	6.1
459.21713	21.3
460.22250	10.6
475.21161	10.4
515.37463	7.4
519.23779	10.8
529.38910	49.0
530.39081	8.2
547.27240	35.8
569.42340	6.8
593.23456	8.2
606.28339	92.4
607.29095	30.9
607.37219	6.2
622.27942	52.9
623.28125	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	1.1
51.02371	2.3
51.17175	0.5
53.03949	7.5
57.07079	0.5
59.01702	0.5
59.79578	0.5
60.05635	0.8
61.68994	0.4
66.84182	0.5
67.05515	1.1
71.32085	0.5
71.32487	0.7
77.03914	1.9
81.03421	0.7
87.04449	0.7
90.87052	0.6
91.05470	0.8
93.07053	0.6
95.04967	7.9
105.03392	100.0
105.04538	4.7
106.03704	2.6
107.08569	0.7
119.08564	0.8
119.35172	0.5
151.07547	1.2
155.41962	0.5
179.07056	1.7
184.07349	1.0
190.96315	0.6
196.07063	0.5
226.12564	0.5
229.60948	0.5
245.86909	0.5
263.10608	0.7
269.04596	0.9
283.09650	0.8
291.06549	1.2
291.10052	1.1
293.08243	1.1
294.05365	0.9
294.08914	0.6
297.03976	0.9
298.04782	1.6
305.08075	0.7
306.05533	0.6
306.08868	0.9
309.07596	2.2
310.08304	1.7
311.05615	0.7
313.07043	5.3
319.09518	0.5
321.07693	0.6
321.11282	2.1
322.12064	0.8
323.09222	1.1
323.12607	1.3
333.07779	0.8
334.08710	0.7
337.10764	1.4
338.11514	0.5
339.08652	1.5
339.12415	1.0
341.10092	1.7
348.09985	0.6
349.10703	7.0
350.11435	2.1
351.08652	1.8
351.12411	0.9
353.13885	1.8
365.10147	1.9
366.11066	1.4
369.13968	0.6
381.13318	27.9
382.13818	2.3
397.12769	1.3
419.10843	0.9
503.17160	1.2
507.68396	0.6
527.10938	1.1
541.12445	0.9
663.16223	19.0
664.16815	2.2
680.75043	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.05523	12.4
57.03424	3.9
57.07072	8.4
59.62305	1.9
61.02903	2.0
67.05170	3.6
67.05503	32.4
69.07076	10.2
71.08628	8.1
79.05490	16.6
81.07056	32.3
83.04973	12.9
83.08627	7.8
85.10174	4.4
87.04480	5.2
91.05482	22.1
93.07033	25.3
95.04977	5.1
95.08606	35.0
97.10166	2.8
98.23445	4.1
105.07029	33.5
107.08593	24.5
109.06474	2.3
109.10148	27.5
111.04440	7.3
111.08045	5.8
117.07010	4.3
119.08581	30.8
121.10135	17.4
121.52124	2.3
123.08115	2.8
123.10098	2.0
123.11716	8.9
124.99989	2.4
129.07039	4.2
131.08574	12.0
133.10135	20.2
135.08073	4.3
135.11665	14.4
137.13292	3.3
139.07513	2.6
141.06963	4.1
142.07791	2.9
143.08585	9.1
144.57240	2.2
145.10138	13.6
147.08026	4.5
147.11674	27.5
147.12747	2.3
149.13272	6.4
155.08589	6.8
156.09286	2.7
157.10094	11.1
159.11700	11.6
161.09637	5.4
161.13284	6.0
167.08624	3.4
169.10117	10.0
171.11670	7.1
173.11813	3.2
173.13287	4.4
175.14816	4.1
179.08537	5.1
181.10130	7.2
183.11707	7.5
184.07408	4.9
185.13306	4.6
187.11230	3.0
187.14894	2.9
189.12799	2.9
189.16449	4.2
191.17810	2.0
192.09435	3.4
193.10167	3.2
194.10957	2.7
195.11761	6.0
197.13194	4.6
199.14865	4.8
201.16417	3.1
203.08733	2.1
203.17982	6.0
205.10146	3.5
206.10837	3.5
207.11713	7.0
209.09665	2.4
209.13261	6.2
215.08636	2.7
215.18155	2.7
217.10207	2.6
218.10739	2.1
219.11729	6.6
220.12303	2.9
221.13254	5.9
225.12808	3.2
229.09990	3.8
229.12245	3.0
229.14293	17.9
231.11751	2.4
232.12566	3.3
233.13329	6.8
234.14070	2.1
235.14961	4.3
240.58551	2.2
243.11745	5.7
244.12402	2.4
245.13280	5.3
247.14816	6.7
249.12848	2.4
256.12601	2.7
257.13260	4.1
258.14108	2.8
259.14890	7.2
261.12994	2.3
261.16434	5.3
269.13266	3.6
270.13977	2.4
271.14783	5.0
272.15369	4.1
273.13504	2.4
273.16446	8.0
274.17029	3.1
275.14761	1.8
275.17914	2.8
277.12308	2.4
283.14795	3.8
285.16354	6.6
286.17075	2.3
287.17905	2.9
289.19574	3.7
299.14450	2.3
299.17963	4.9
301.19690	3.3
311.17786	2.6
313.27307	20.7
315.20926	3.4
319.17142	3.1
339.21271	3.1
367.24506	2.9
401.28198	2.4
413.24643	3.4
414.25491	2.7
419.29166	4.2
427.26123	2.5
459.25369	8.2
461.26971	5.3
467.37274	12.9
522.41937	2.6
564.39594	3.1
603.41425	6.6
604.43152	2.3
617.43420	6.2
627.41821	7.1
645.43188	22.5
663.44049	100.0
664.44403	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
55.05513	14.4
55.74443	1.5
57.07081	6.4
65.03938	1.9
67.05502	22.8
69.07071	14.8
79.05498	17.2
81.07056	34.9
81.07514	2.1
83.04975	19.0
83.08615	7.5
85.06547	2.7
87.04474	3.9
91.05482	24.6
92.27002	1.6
93.07045	34.3
95.04972	3.2
95.08608	45.4
97.10217	2.0
103.05469	3.4
105.03403	1.4
105.04546	1.6
105.07027	39.3
107.08589	34.6
107.09266	1.9
108.08885	1.8
109.06575	3.6
109.10160	20.3
111.04451	9.8
111.08076	8.0
111.82423	1.5
115.05449	1.6
115.75788	1.5
117.07027	10.7
119.08583	38.0
120.08899	1.9
121.06566	2.4
121.10160	18.3
123.08123	4.2
123.11716	10.9
128.06271	3.7
129.07056	5.3
130.07907	1.7
131.08575	17.3
133.10118	25.1
135.08051	2.6
135.11693	15.1
137.13248	1.8
139.07622	5.2
141.07039	3.2
142.07872	4.9
143.08560	13.0
144.09399	1.9
145.06532	2.4
145.10135	25.2
147.08087	3.5
147.11690	35.5
149.13315	6.0
154.07843	2.1
155.08569	12.7
156.09390	4.1
157.10120	17.0
159.08075	4.0
159.11696	14.7
161.09663	3.6
161.13261	8.3
163.14922	1.8
165.07144	2.2
167.08571	4.0
168.09392	2.3
169.10117	15.3
170.10965	2.7
171.08122	3.2
171.11697	10.7
173.09641	2.3
173.13376	6.6
175.11264	4.5
175.14876	6.3
177.16461	4.2
178.07745	2.0
179.08630	5.8
180.09355	2.5
181.10095	8.3
182.10959	3.2
183.11720	10.1
185.09747	1.7
185.13342	6.8
187.11241	2.5
187.14926	4.3
189.12778	2.7
189.16406	10.2
191.08702	1.8
191.18047	4.5
192.09308	3.4
193.10164	9.3
194.10951	4.9
195.11685	11.2
196.12483	1.8
197.09680	2.7
197.13278	7.6
199.11285	5.2
199.14896	6.4
201.12762	2.3
201.16446	12.2
203.08716	2.3
203.17992	9.2
204.09462	2.1
205.10222	4.1
205.12241	2.0
206.10927	4.3
207.11708	12.3
208.12352	3.4
209.09720	2.4
209.13234	8.3
210.13698	1.7
211.11285	3.1
211.14864	3.8
213.12709	1.6
215.08714	1.8
215.10709	2.0
215.14529	1.8
215.18112	2.8
216.09291	1.8
217.10228	5.7
218.10945	2.5
219.11586	10.6
219.13649	1.8
220.12463	4.8
221.13217	10.3
223.11511	2.4
223.14929	5.1
225.12717	3.5
225.16359	1.9
227.10783	2.2
228.98497	1.7
229.10271	3.7
229.12317	2.8
230.11055	4.2
231.11662	8.5
232.12544	4.8
233.13326	11.5
234.13997	1.7
234.85175	1.7
235.14941	5.8
237.16431	3.4
239.14513	2.8
243.11699	7.9
244.12613	5.5
245.13257	12.1
246.14052	4.3
247.14827	8.5
248.15588	2.9
249.16493	4.7
255.11749	3.3
256.12488	3.9
257.13098	8.4
257.15649	2.3
258.14148	5.5
259.14767	10.7
260.15701	4.0
261.12692	2.2
261.16525	6.2
263.14328	2.0
265.12463	1.8
265.15909	2.2
267.14050	1.9
268.12463	1.8
269.13458	3.2
270.14029	2.4
271.14883	6.7
272.15637	3.3
273.13687	2.3
273.16306	9.4
274.17404	3.6
275.18079	5.5
276.18539	1.8
277.16028	3.1
277.19720	1.8
283.14969	5.9
284.15536	2.8
285.16290	7.2
286.17120	2.1
287.18121	6.2
289.15997	2.6
289.19370	2.1
291.17694	1.6
297.16501	5.7
298.17419	2.3
299.17770	8.2
300.18689	2.3
301.12897	2.0
301.16180	2.9
301.19684	4.3
302.20215	1.9
303.17776	2.1
303.21194	3.1
305.15408	2.4
307.17236	2.2
309.16296	2.1
310.17258	1.7
311.17999	3.3
313.19583	2.0
315.21051	3.7
317.19244	1.8
319.16882	4.0
321.18759	2.7
324.18698	1.8
325.19611	2.7
326.20453	2.0
327.17596	2.9
327.20999	3.0
329.18991	2.7
333.18784	1.8
338.20236	1.8
339.21143	2.3
341.18961	2.4
343.20715	2.0
345.18716	2.8
347.20142	3.4
353.23083	2.2
355.24683	2.3
359.27682	2.7
373.22333	1.9
374.22266	2.1
381.26477	2.1
383.27740	2.3
399.23386	3.0
400.24026	1.7
401.28827	3.0
411.23230	2.2
413.24734	2.9
415.26343	2.7
417.28232	1.7
419.29547	4.6
425.24734	1.8
441.24469	3.2
443.25876	3.7
459.25357	19.7
460.26251	2.7
461.26752	10.5
473.27496	1.9
479.29330	1.9
487.28720	2.4
493.31317	2.4
523.35358	2.7
546.39362	2.1
563.38849	2.0
564.39758	3.2
603.42102	11.0
604.42065	1.9
617.43585	6.5
618.44373	1.8
619.45038	2.8
627.42334	6.2
628.42456	2.5
645.42841	19.0
646.43774	3.4
663.44293	100.0
664.44385	22.2
678.24542	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.05514	11.8
57.03444	2.3
57.07083	7.0
59.04997	0.9
61.02926	1.3
65.03934	1.3
67.04704	1.1
67.05508	29.9
68.91494	0.9
69.03438	2.0
69.07072	18.9
71.04988	1.2
71.08635	3.8
79.05497	12.3
81.07054	27.2
83.04981	12.4
83.08623	6.0
85.02943	1.2
85.10197	2.1
87.04473	2.9
91.05481	17.5
91.97833	1.0
93.07048	26.3
93.07631	1.8
95.04990	2.9
95.08611	36.1
97.06547	1.8
97.10192	2.3
101.56750	1.0
105.07031	21.8
107.08600	24.8
107.09297	2.0
109.06527	2.7
109.10159	27.6
110.72993	0.9
111.04441	7.3
111.08085	6.2
113.06041	1.7
115.05508	1.2
117.06992	5.6
119.08586	24.5
121.06537	2.7
121.10142	16.9
123.08109	2.2
123.11736	7.1
128.06213	1.6
129.07050	3.8
130.07761	1.6
131.08563	12.5
133.10147	19.0
134.10545	0.9
135.08055	3.0
135.11688	11.7
139.07590	3.9
141.07008	2.1
142.07808	3.3
143.08559	9.9
144.09290	1.3
145.06506	1.8
145.10133	18.2
146.10863	1.0
147.08078	3.1
147.11696	14.2
148.12163	1.2
149.09633	1.1
149.13284	3.9
153.07011	1.4
154.07771	1.1
155.08527	6.7
155.10689	1.3
156.09344	3.2
157.10126	10.9
159.08109	1.9
159.11711	10.8
161.09622	3.1
161.13242	4.8
163.11139	1.4
163.14836	3.6
165.07031	2.5
166.64571	1.1
167.08589	3.2
169.10136	10.6
171.08159	1.2
171.11687	8.0
172.12430	2.0
173.09622	2.1
173.11729	3.0
173.13327	4.4
175.11250	2.2
175.14886	5.2
177.16402	5.6
178.07716	1.8
179.08621	4.6
181.08669	2.1
181.10147	6.6
182.10864	1.2
183.11694	8.4
184.12411	1.6
185.09692	1.8
185.13322	4.2
187.11273	3.1
187.14880	2.2
189.12860	1.4
189.16449	4.4
191.08601	1.6
191.17992	2.4
192.09377	2.3
193.10153	6.7
194.10948	2.2
195.11736	8.3
196.12415	2.4
197.09677	1.9
197.13214	5.6
199.11275	1.3
199.14874	4.4
201.12828	1.6
201.16386	9.2
203.08496	1.2
203.17950	7.9
205.10202	4.1
205.12096	1.3
206.10939	2.7
207.11746	11.2
208.12514	1.1
209.13274	6.6
211.11278	1.8
211.14816	2.9
213.16414	1.5
215.14368	1.9
215.17967	1.8
216.09398	1.7
217.10201	3.8
217.12141	1.2
217.19601	1.3
218.10945	3.0
219.11713	8.1
219.13652	1.8
220.12468	3.9
221.13226	6.3
223.11246	1.7
223.14893	4.0
225.12737	2.3
229.10219	3.3
229.12280	1.9
229.14320	18.3
230.10962	1.7
231.11687	7.8
231.13690	1.4
232.12508	3.0
233.13248	7.0
234.13956	1.7
235.14854	4.8
237.12756	1.3
237.16339	1.9
239.14256	2.1
243.11707	3.8
244.12415	2.8
245.09641	1.1
245.13315	5.3
245.15439	1.3
246.13966	1.3
247.14871	5.9
249.12959	1.3
249.16345	2.4
255.11674	1.6
256.12442	2.1
257.13156	5.2
258.14066	3.5
259.14822	7.5
260.15512	2.7
261.12854	2.4
261.16409	4.9
263.14395	1.8
263.17950	2.5
267.11508	1.2
267.14011	1.4
268.12787	1.4
269.13275	2.7
270.14148	3.0
271.14627	5.0
272.15628	3.8
273.16318	4.9
275.14777	1.3
275.18021	2.6
277.19330	1.3
279.20993	1.5
282.14178	1.7
283.14880	3.8
284.15506	1.5
285.13223	1.2
285.16177	4.8
286.13834	1.2
286.16989	1.9
287.17944	4.6
289.19641	1.6
294.13715	1.3
295.14880	3.2
296.15591	1.8
297.12888	1.1
297.16476	3.0
298.17087	1.4
299.17938	3.7
301.16046	1.0
301.19513	3.2
303.17780	2.1
303.21136	3.1
305.15494	1.2
309.16092	2.5
310.17050	2.0
311.17999	3.1
313.19574	2.4
313.27344	15.6
314.20309	1.7
315.17664	1.3
315.21143	2.5
319.17087	1.2
323.17743	1.5
325.19519	2.1
326.20386	1.5
327.17444	1.5
327.21124	2.2
333.18466	2.2
337.19577	1.8
339.21106	2.4
341.22748	1.6
343.20596	1.4
347.20276	2.0
353.22623	1.3
354.23688	1.2
355.24136	1.3
357.25739	2.0
359.20166	1.5
359.27570	1.7
361.21524	1.5
363.23419	1.1
367.24326	1.3
371.27597	1.2
379.24591	2.0
383.27438	2.4
387.23355	1.3
397.29431	1.3
401.28757	2.0
409.29019	1.3
413.24698	2.0
415.26486	2.6
417.27982	2.4
419.29407	4.0
421.29224	1.3
425.24124	1.1
427.26489	2.2
439.26010	1.4
441.24445	3.2
451.29996	1.8
457.31116	1.4
459.25320	9.8
460.25931	1.3
461.26825	2.0
467.30460	2.0
467.37350	12.3
469.31375	1.3
473.27176	2.3
493.31598	1.1
513.30078	1.6
521.34137	1.5
523.35449	2.2
531.36011	1.3
561.36340	1.5
564.39270	3.0
603.42102	13.6
604.42560	2.4
607.38141	1.9
617.43250	4.6
619.45203	3.0
627.42004	5.7
645.42981	22.8
646.43170	4.6
663.44049	100.0
664.44604	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.05514	11.9
57.03388	1.0
57.07066	3.7
65.03951	3.0
67.04740	1.1
67.05505	16.8
69.07068	13.2
69.24439	6.4
79.05491	10.8
81.07056	42.5
82.07372	3.0
83.04984	11.8
83.08633	4.8
85.06561	1.4
86.09706	2.6
87.04482	2.3
91.05474	18.1
93.07039	26.3
95.04964	3.9
95.08602	36.2
105.03396	3.1
105.07031	29.0
107.08591	24.1
109.06556	1.7
109.10152	13.8
111.04424	6.5
111.08119	5.9
113.06064	1.4
115.05477	1.4
117.07030	7.1
119.08585	26.4
121.06490	2.8
121.10155	12.1
123.08076	3.2
123.11704	6.9
125.00031	1.9
128.06244	2.2
129.07004	3.8
131.08575	15.2
133.10121	19.8
135.08081	3.5
135.11687	11.2
137.13266	7.4
138.13565	2.2
139.07567	3.1
141.06996	3.8
142.07823	3.0
143.08545	9.4
145.10115	16.2
147.08058	3.3
147.11678	22.4
149.09579	1.5
149.13280	3.7
153.06987	2.3
155.08530	7.1
156.09363	2.3
157.10120	10.5
159.08031	2.6
159.11690	10.0
161.09624	3.7
161.13266	7.0
163.14883	3.2
164.20370	1.3
165.06995	1.6
167.08597	4.4
169.10135	11.0
170.10976	2.1
171.08127	1.6
171.11685	7.1
173.09641	2.5
173.13329	5.5
175.11195	2.9
175.14844	3.6
177.16400	2.3
179.08647	4.1
181.10078	6.2
182.10968	1.5
183.11700	8.1
184.07333	7.8
185.09685	3.1
185.13258	4.2
187.11278	2.1
187.14841	3.1
189.12740	1.8
189.16399	5.3
191.10634	1.5
191.17978	2.8
193.10165	4.8
194.10918	1.9
195.11679	7.1
197.13144	5.6
199.11209	2.1
199.14876	2.9
201.09007	1.4
201.12883	1.3
201.16368	9.2
203.08595	2.4
203.17966	9.6
205.10097	3.6
205.12206	1.5
206.10962	3.2
207.11679	7.8
208.12456	1.5
209.13336	7.5
211.11130	2.3
211.14851	3.4
213.12845	1.6
215.17892	1.8
216.09464	2.2
217.10155	3.5
218.10956	2.5
219.11710	8.3
220.12466	2.0
221.13263	7.3
222.14037	1.5
223.11353	1.3
223.14922	3.2
225.12804	3.2
228.09340	1.3
229.10182	2.5
229.12277	1.5
229.19745	1.5
230.11018	1.5
231.11728	5.1
231.17796	1.3
232.12491	3.1
233.13326	9.4
233.15379	1.6
234.13942	1.5
235.11235	2.4
235.14893	4.3
237.12814	1.9
237.16281	1.6
239.08412	1.6
239.14134	2.0
242.10980	2.1
243.11679	4.2
243.13863	1.4
244.12489	3.5
245.13229	5.6
245.15512	1.6
246.14131	2.9
247.14792	7.5
248.15437	2.0
249.12766	2.1
249.16356	3.8
251.14423	2.6
257.13281	4.3
258.14117	3.5
259.14828	6.8
260.15625	2.4
261.12744	1.4
261.16403	5.6
262.16821	1.6
263.14374	2.2
263.18033	1.5
265.12369	2.1
267.14072	1.8
268.12552	2.2
269.13162	1.9
270.14166	1.7
271.14606	5.7
272.15552	2.7
273.13040	2.0
273.16437	6.6
274.17145	1.6
275.14600	1.7
275.17999	3.2
277.16019	2.6
282.14279	1.3
283.14908	3.6
284.15756	1.2
285.16397	4.9
286.17081	1.4
287.14557	1.5
287.17981	3.1
288.18597	1.4
289.16080	1.6
289.19547	2.9
293.15698	1.8
295.17316	1.6
297.16418	3.7
298.17261	1.4
299.17947	4.1
301.16168	2.3
301.19629	3.7
303.14063	1.7
303.17529	1.8
303.21103	2.9
307.17203	1.5
311.17752	2.3
312.18829	1.5
313.15887	1.3
313.19641	2.9
314.16830	1.4
315.13986	1.3
315.17599	1.9
315.21057	2.2
319.17017	2.3
321.18616	1.8
325.19333	2.8
327.17377	2.3
329.18936	1.9
333.18649	2.1
339.20984	2.0
341.18988	1.4
341.22665	1.7
343.20468	1.7
345.18570	1.4
351.21390	1.6
353.18842	1.7
358.19458	1.3
359.27631	1.5
360.20883	2.1
367.20361	1.7
367.24432	1.7
371.20181	1.6
375.23672	1.5
381.26279	1.5
383.27731	1.6
385.21774	2.4
401.28589	2.1
411.23059	2.4
413.24850	3.6
414.25339	1.7
419.29620	3.5
425.25137	2.1
441.24329	3.7
443.26041	4.0
455.25046	2.0
459.25333	12.0
460.26276	2.3
461.27124	4.5
463.33630	2.3
467.29343	1.9
473.26950	2.3
492.20868	1.4
505.39203	1.5
523.35846	2.3
525.37988	1.3
547.36060	1.5
563.38336	1.3
603.41852	10.5
604.42279	2.2
609.41718	1.6
617.43378	5.0
619.45135	4.2
627.41846	6.8
645.42963	27.3
646.43604	5.6
663.44067	100.0
664.44409	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45917	0.9
53.03952	1.8
55.05513	12.7
57.07063	1.8
58.11331	0.8
65.03944	1.8
67.05505	21.8
69.03431	1.5
69.07067	16.7
76.88795	0.8
77.03950	1.0
77.20586	0.9
79.05489	17.4
81.03425	1.9
81.07055	27.4
81.07520	1.5
83.04980	15.4
83.05454	1.1
83.08624	5.1
85.06528	1.1
91.05476	22.1
93.07039	29.5
95.04945	4.5
95.08607	34.8
97.06544	1.7
97.10159	1.7
103.05496	1.1
105.07025	33.4
107.04945	1.1
107.08603	26.7
108.08969	1.4
109.06528	2.1
109.10165	19.0
111.04452	6.9
111.08081	6.6
115.05434	0.9
116.06277	1.0
117.06998	6.7
119.08580	26.6
121.06529	2.8
121.10138	16.2
123.08091	2.5
123.11696	10.3
125.05988	1.2
127.07523	1.0
128.06261	2.9
129.07013	6.6
131.08574	15.3
131.09474	1.1
133.06491	1.2
133.10129	28.0
134.10449	1.5
135.08078	3.0
135.11717	10.2
139.07562	4.1
141.06967	5.4
141.09128	1.1
142.07811	3.5
143.08571	9.8
144.09337	2.5
145.10127	18.3
147.08089	3.0
147.11676	25.3
149.09616	1.4
149.13229	4.4
151.11147	0.9
152.06258	1.2
153.07013	1.1
154.07794	2.4
155.08548	9.5
156.09346	4.0
157.06552	1.1
157.10129	12.0
159.08087	3.0
159.11703	14.5
161.09668	3.1
161.13275	5.1
163.11209	1.2
163.14856	3.3
165.07028	2.5
166.07841	1.1
167.08606	3.9
168.09348	2.5
169.10114	13.0
170.10857	1.9
171.08090	1.7
171.11682	8.6
173.09647	2.2
173.13252	5.2
175.11250	2.1
175.14836	5.6
177.16377	6.1
178.07912	1.8
179.08571	4.6
180.09373	1.6
181.10132	7.8
182.10861	2.1
183.11737	8.6
185.09674	1.7
185.13229	5.9
187.11252	3.1
187.14880	3.2
189.12801	2.6
189.16385	16.8
190.16638	1.1
191.08618	2.0
191.18015	3.8
192.09416	2.5
193.10132	6.5
194.10944	3.9
195.11690	9.7
196.12428	2.1
197.09663	1.8
197.13254	6.5
199.11214	1.8
199.14848	5.2
201.09068	1.0
201.12721	1.6
201.16351	9.2
202.07791	1.3
203.08601	1.2
203.17947	15.5
204.09370	1.4
205.10242	4.7
205.12065	1.6
206.10934	4.2
207.11693	10.1
208.12463	2.2
209.09653	1.6
209.13264	8.6
211.11259	2.7
211.14922	3.0
213.12775	2.0
213.16402	1.2
215.08624	1.4
215.10814	1.6
215.14232	1.4
215.18001	3.2
216.09422	1.4
217.10149	3.9
217.12245	1.9
217.19508	1.7
217.98550	0.9
218.10910	2.3
219.11682	8.9
220.12341	2.8
221.13260	9.4
222.13953	1.0
223.11182	1.4
223.14874	4.1
225.12823	1.7
225.16479	2.0
227.10687	1.4
227.14352	2.1
227.17944	1.4
229.10173	3.2
229.12329	2.9
230.10956	3.4
231.11725	6.0
232.12505	3.5
233.13203	8.0
233.15044	0.9
234.13974	2.1
235.11201	1.4
235.14778	7.3
237.12715	2.2
237.16518	1.9
239.14339	2.5
239.18015	1.3
241.10152	1.9
242.10875	2.0
243.11662	4.5
243.13954	1.3
244.12469	4.2
245.13220	10.5
245.15459	1.6
246.14102	3.5
247.11256	1.5
247.12601	1.1
247.14766	7.1
248.15361	2.0
249.12732	1.7
249.16502	3.6
251.14276	1.6
251.18205	1.9
255.11700	2.2
255.14014	2.2
257.13287	6.7
257.15637	1.9
258.14059	3.4
259.11133	1.7
259.14822	8.6
260.15622	1.6
261.12866	1.3
261.16406	5.1
263.14462	1.2
263.18048	3.7
265.12225	1.8
267.13934	1.5
269.13278	3.6
270.14032	3.0
271.14716	7.6
272.15555	2.5
273.12808	1.3
273.16440	7.1
274.14005	1.0
274.17056	2.9
275.18008	3.4
276.18610	1.0
277.12656	1.2
277.15891	1.9
277.19476	1.1
279.13867	1.9
281.12994	1.6
281.15683	1.4
282.14026	1.2
283.14874	3.2
284.15451	2.0
285.16321	6.7
286.17191	2.5
287.14569	2.0
287.18060	3.9
289.16147	1.9
289.19641	2.4
291.21136	1.5
293.13034	1.2
295.17236	2.1
296.15564	2.0
297.13333	1.1
297.16473	4.2
298.17273	1.9
299.14581	1.6
299.18045	5.7
300.15167	1.0
300.18427	1.6
301.15927	2.8
301.19516	4.1
302.16437	0.9
303.13998	1.5
303.17615	1.9
303.21057	2.1
305.15701	1.7
305.18832	1.1
308.15811	0.9
309.16238	1.9
311.18015	3.1
312.15134	1.2
312.18481	1.3
313.15985	1.2
313.19418	1.7
314.20377	1.3
315.17639	1.4
315.21042	1.4
317.15585	1.4
317.19128	1.3
317.22641	1.4
319.17056	1.9
321.18677	1.0
325.16028	1.5
325.19601	3.4
326.20261	1.8
327.17563	1.6
327.20923	2.0
329.19073	2.0
329.22385	1.7
331.17065	1.5
333.22220	1.0
337.19794	1.2
339.17310	1.4
339.21106	2.1
343.20612	1.7
347.20197	1.3
353.22684	1.4
357.25851	1.3
359.19983	1.3
359.27441	2.0
360.20731	1.6
361.21695	1.6
362.22073	1.0
363.23285	1.5
371.19867	1.4
373.21692	1.7
383.27411	1.4
385.21524	1.9
397.21765	1.4
399.23099	1.2
400.23862	1.1
401.24515	1.6
401.28949	2.1
413.24924	2.7
415.26404	3.3
417.28156	1.9
419.29517	5.1
420.29700	1.3
425.24768	1.9
431.29547	1.3
437.24695	1.4
441.24377	3.7
443.25845	2.9
453.28073	1.1
455.25821	2.2
459.25320	13.0
460.25949	2.0
461.26758	12.3
462.27179	2.2
467.29749	1.3
469.31653	1.1
473.26880	2.9
487.28329	1.1
493.27698	0.9
499.28925	1.2
511.28506	2.0
513.29980	2.2
523.35602	1.8
561.36932	1.4
564.39813	2.2
603.42065	11.6
604.42505	2.2
609.39917	1.2
617.43640	3.7
619.45294	5.9
627.42432	6.1
628.42194	1.2
645.42969	24.8
646.43469	3.7
663.44073	100.0
664.44403	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08487	0.4
55.05480	0.6
57.07078	50.3
57.07468	1.5
57.16274	0.4
58.07381	0.9
61.74844	0.4
65.72031	0.4
67.05460	1.2
69.07027	0.5
77.03591	0.6
77.03974	0.8
81.07044	0.7
85.31622	0.4
87.04411	1.2
91.05482	7.2
92.17536	0.4
93.07040	0.5
95.04915	1.5
95.08567	0.6
104.51069	0.4
105.07031	2.6
107.08504	0.6
117.06962	0.7
119.08543	1.6
132.09364	0.6
147.11685	6.9
152.06195	1.1
153.06970	3.5
160.47090	0.4
171.07982	0.6
175.01472	0.5
215.02519	0.6
228.09230	1.0
228.80757	0.4
229.10081	1.7
233.03616	6.0
251.04659	15.1
252.05067	1.0
296.72513	0.4
307.11078	2.3
309.06824	0.5
327.07791	100.0
328.08093	8.0
337.27173	0.6
363.17133	0.8
383.14053	67.4
384.14371	6.3
439.20349	61.8
440.20612	7.3
495.26590	67.4
496.26859	9.4
551.32837	83.8
552.33154	14.3
607.39099	51.5
608.39325	8.9
663.45215	9.6
664.45605	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99839	1.5
55.01875	2.2
55.05507	10.3
57.03410	2.2
67.05507	3.2
69.07057	2.0
71.10231	2.8
79.05498	4.4
81.07062	4.3
83.04990	8.9
86.09724	3.7
91.05480	2.7
93.07060	5.8
95.08604	2.2
105.07082	2.2
107.08601	3.2
109.10173	1.6
121.10168	3.2
125.00022	2.1
135.11676	1.7
136.06215	7.0
165.07008	2.3
179.08510	2.9
183.08029	2.3
184.07381	8.9
193.06425	2.6
194.07330	1.8
195.08138	3.8
197.09598	2.2
205.06534	3.6
207.08078	2.7
209.05927	3.5
210.06703	4.4
211.07518	5.0
212.08345	2.8
213.05449	2.7
213.09154	2.4
221.05959	4.5
222.06715	4.1
223.07565	8.0
224.08229	4.0
225.09047	10.4
226.09633	2.1
227.06992	3.9
233.05968	2.4
234.06842	2.2
235.07570	5.8
236.04646	4.5
236.08221	2.2
237.05486	6.3
238.06172	12.4
239.07040	7.9
240.04167	6.2
249.05420	4.7
250.06300	4.7
251.07014	24.7
252.07819	10.5
253.04941	4.1
253.08606	37.4
254.05832	6.9
254.09297	2.7
255.06622	7.9
255.10179	2.8
256.07275	4.7
257.07956	2.9
263.07028	5.7
265.04999	4.3
265.08444	3.5
266.05792	13.9
267.06500	17.1
267.10141	5.1
268.03897	1.8
268.07269	8.9
269.04657	1.8
269.08136	5.5
270.08929	5.0
271.09637	3.6
278.05585	2.9
279.06534	22.0
279.09482	3.1
280.07254	12.7
281.08063	73.1
282.05347	4.0
282.08698	8.9
283.06027	9.2
283.09668	11.0
285.04291	1.7
285.07587	7.6
285.10941	4.6
286.04678	5.5
293.08133	4.5
294.08771	3.7
295.06042	7.1
295.09711	10.9
296.06705	5.4
296.10260	3.3
297.07556	11.2
297.11179	6.9
298.08340	12.1
299.05487	4.8
300.06238	2.6
301.07089	16.2
309.07666	20.8
309.11002	3.1
310.08307	6.1
311.05664	2.3
311.09100	67.2
312.09735	10.7
313.07065	25.6
313.10715	34.6
313.14136	2.8
314.07794	10.6
314.10901	4.4
315.08612	7.1
323.09158	7.1
324.09885	4.2
325.07431	2.0
325.10602	9.9
326.07736	2.0
327.08646	8.1
327.12296	4.5
328.09399	58.6
329.10034	4.9
335.09134	3.1
336.09821	2.3
337.07068	2.4
337.10617	4.0
339.11801	1.9
341.10184	94.5
342.10690	11.7
343.11740	100.0
344.12082	6.2
345.09824	5.2
353.10162	11.2
355.11728	25.3
367.11731	52.3
368.12122	4.8
385.12799	46.4
386.12930	2.5
467.16830	3.2
467.27261	2.1
518.94147	1.9
664.37537	6.1
665.30853	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.8
55.05512	76.3
67.05502	2.2
69.79473	1.9
70.08390	1.9
71.31427	3.1
75.04475	2.1
76.84302	1.8
82.05531	1.7
83.04982	100.0
91.05478	2.2
99.04459	37.7
105.03383	17.6
106.03715	4.8
119.04971	6.0
119.08591	3.2
127.03915	21.7
132.05699	13.0
137.02376	3.1
137.40370	1.9
142.91664	1.9
147.08057	7.8
152.04648	2.1
165.07039	2.0
175.03889	2.3
175.07539	2.6
176.96181	2.0
177.45815	1.9
179.10664	6.1
192.20813	1.7
194.07346	1.9
195.06462	2.6
199.11215	1.7
205.06541	2.2
207.08340	3.8
207.10153	34.8
222.06743	4.2
224.04700	2.2
225.05452	3.2
227.06860	2.6
234.06824	2.6
235.07541	2.7
237.05447	5.1
237.09064	6.4
239.03416	5.6
239.06984	2.7
240.04228	3.7
241.04897	2.1
241.08339	2.9
249.05499	2.9
249.08965	2.4
250.06183	4.5
251.03459	8.1
251.07028	7.4
252.04085	4.0
252.07802	3.6
253.04803	4.5
253.08588	3.6
254.05656	3.0
255.06560	4.4
261.05362	2.8
262.06302	4.6
263.07040	7.3
264.04297	3.7
264.07547	3.0
265.05014	7.8
265.08536	13.2
266.05878	14.3
266.08484	3.1
267.02991	4.5
267.06427	6.7
268.07278	2.0
275.06943	2.5
277.08493	4.6
278.05777	3.2
279.06537	14.6
279.09586	3.0
280.04193	3.2
280.07153	12.4
281.04556	5.2
281.08075	7.5
282.05212	8.0
282.08597	3.1
283.05798	3.4
287.09140	5.7
291.06415	10.3
292.07230	11.9
293.04483	6.8
293.08084	13.5
294.05222	10.3
294.08762	9.4
295.05997	8.4
295.09698	13.6
296.06964	3.8
297.04156	5.0
297.07596	69.8
297.11032	4.7
298.08029	8.9
299.08972	2.0
305.08026	5.1
306.08670	4.5
307.05963	8.4
307.09302	3.3
308.06717	13.4
309.07471	10.8
309.10889	3.9
310.08194	3.8
311.05502	15.6
311.09125	7.2
312.06213	2.4
313.07016	11.2
313.10556	3.6
314.07681	2.5
315.08588	2.9
319.09634	2.5
321.07535	5.6
321.11118	2.7
322.08295	14.8
323.05276	4.4
323.09106	88.5
324.09714	25.8
325.07080	10.3
325.10687	12.3
326.07846	21.5
327.08621	5.2
327.12109	2.9
333.07693	4.3
336.09888	3.9
337.07211	3.3
337.10681	12.9
338.11319	6.2
339.08572	5.8
339.12265	8.2
340.09332	15.4
341.10007	4.0
343.11801	2.3
348.10052	3.1
349.06982	2.7
349.10840	2.5
351.12357	2.5
352.09042	2.8
353.06265	3.7
353.10226	48.6
354.10590	5.7
355.11761	59.6
356.12277	4.4
357.09537	9.0
365.10107	8.8
366.10959	6.2
367.11719	15.3
369.13309	20.1
370.13654	3.1
379.11826	14.8
397.12854	65.9
398.13229	4.8
410.13416	2.6
415.13815	2.7
427.98886	2.1
451.17606	2.9
455.17020	3.9
489.09412	2.3
542.14783	3.5
664.18524	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62717	2.3
55.05508	5.0
59.05009	4.5
67.05495	8.5
69.03436	9.6
69.07076	3.2
71.30708	4.4
79.05499	11.4
81.03417	4.1
81.07063	46.2
83.04987	3.9
85.02934	3.4
86.09731	4.0
87.04460	5.0
88.25741	2.2
91.05485	9.1
93.07034	7.3
95.04966	12.9
95.08614	9.4
95.76803	2.4
96.39299	2.4
97.02909	7.4
99.04449	5.3
104.07113	5.9
105.07019	8.9
107.04966	3.3
107.08565	6.5
109.06509	23.9
109.10137	2.7
115.05446	2.9
117.07045	5.1
119.08578	7.9
121.06503	9.1
121.10102	3.2
122.02732	4.5
123.04419	2.3
123.08074	15.0
128.06219	3.5
129.06979	7.1
131.04855	2.5
131.08556	4.6
133.06503	5.2
133.10120	7.3
135.08061	4.6
136.19516	2.9
137.05977	54.4
141.07022	3.5
143.08554	10.1
145.06508	17.5
145.10109	4.6
147.08043	9.9
149.05969	4.1
151.07574	6.0
153.06956	3.4
155.08528	7.4
157.06451	7.3
157.10103	5.5
159.08057	11.7
161.05972	5.3
165.06950	2.7
167.07182	2.7
167.08545	2.8
169.06496	4.5
169.10213	4.3
171.08075	17.8
173.06044	3.0
173.09685	5.5
175.07504	3.5
178.07834	3.9
179.08585	7.7
181.10126	5.9
183.08035	13.3
183.11714	3.8
184.07368	5.8
184.08841	4.1
185.09679	5.7
187.07457	4.2
191.08604	3.7
192.09459	3.6
193.10124	8.3
195.08054	8.7
195.11662	7.1
196.08746	3.3
197.09639	8.7
199.07628	5.6
202.07796	2.9
203.08531	9.4
204.09242	4.3
205.10207	8.5
207.08122	6.2
207.11748	6.4
208.08897	4.3
209.09624	7.6
211.07570	5.7
211.11232	5.8
213.09143	4.3
216.09338	2.4
217.10204	4.8
218.10829	3.8
219.08020	4.4
219.11681	8.9
220.08841	6.5
221.09578	12.4
221.13220	5.5
222.10161	3.9
223.11252	7.3
223.14743	2.7
225.09108	4.7
226.99370	2.7
228.09250	2.5
229.10114	5.2
231.11729	3.0
232.08817	3.5
233.09543	11.2
233.13229	4.9
234.10208	5.6
235.11205	14.1
236.11934	5.3
237.09050	3.6
237.12749	5.2
239.10754	3.2
245.09653	9.2
245.13281	3.4
246.10410	6.8
247.11201	9.9
247.14799	8.0
248.12035	4.4
249.09119	5.8
249.12744	6.9
251.10687	5.2
251.14461	3.1
253.12241	4.3
257.13361	5.7
259.11221	8.1
260.12067	5.8
261.12805	12.4
263.10751	7.9
263.14355	3.4
264.11462	5.6
265.12170	5.7
265.15854	5.1
267.10190	4.6
269.11798	2.7
270.10403	5.2
273.12823	5.7
275.14261	18.0
276.14877	3.0
277.12469	6.5
277.15894	5.0
279.10382	2.7
279.14020	5.2
281.11740	8.9
285.12680	9.3
287.10706	2.9
289.15735	3.0
291.13745	4.7
293.15359	9.7
303.13770	16.3
304.14182	3.5
305.11694	6.0
309.11203	3.2
319.13477	3.3
321.14825	8.4
323.12964	5.7
335.16422	5.8
345.14774	7.8
347.16397	3.2
363.15891	7.4
373.18015	13.0
381.17081	10.3
383.16669	4.1
391.19022	16.8
401.17502	42.2
402.17859	5.2
403.15604	5.2
409.20023	5.0
415.18771	5.4
417.21027	13.5
419.18542	100.0
420.18814	11.3
433.20108	3.8
435.21548	10.6
435.26874	2.4
437.19611	39.0
438.19751	5.2
443.18765	15.5
451.20932	4.0
455.20142	3.3
461.19608	45.6
462.19418	3.0
479.20737	49.7
480.21005	6.0
481.22098	2.9
497.21906	14.1
509.21234	2.8
521.21399	7.8
539.23309	2.6
551.22473	9.4
569.23364	5.5
629.25934	29.2
630.26532	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.8
54.41801	0.7
55.01873	1.2
55.05512	9.7
57.03436	7.5
59.04998	1.9
61.02925	3.1
65.03941	1.9
67.05505	65.3
68.05826	1.0
69.03432	1.3
69.07069	7.8
70.22401	1.9
70.22762	1.4
71.01351	2.5
71.04990	16.1
79.05492	27.7
80.05824	1.0
81.03437	3.8
81.07054	18.8
83.04977	7.7
83.08636	4.5
85.02900	2.3
85.06538	3.3
91.05479	14.8
93.07046	36.6
94.07352	1.0
95.04973	3.0
95.08616	9.3
97.02911	1.3
97.06534	8.8
97.10162	8.3
99.08101	1.0
105.07042	3.6
107.08591	23.6
109.06538	0.8
109.10157	39.0
110.10529	1.3
111.08115	2.7
117.07030	2.7
119.08573	9.1
121.06503	1.8
121.10156	5.8
123.08028	0.8
125.09620	1.8
130.07843	0.9
133.10159	2.9
135.08066	1.1
135.11691	35.2
136.12030	1.3
137.09612	6.0
139.11121	0.8
145.10135	8.2
149.02374	2.2
153.12775	1.8
155.10683	2.6
161.02473	0.9
163.11188	5.4
169.12256	1.1
173.11742	6.5
181.12227	5.0
182.02296	0.7
199.13292	1.4
211.13393	0.9
255.15904	17.1
256.16281	1.0
269.17374	0.9
287.18497	5.6
328.24860	0.8
331.85974	0.8
405.57568	0.9
409.25839	48.2
410.26410	4.6
412.13593	0.9
423.27472	6.1
435.27423	100.0
436.27765	12.3
467.30048	23.4
468.30212	2.3
510.43686	0.9
605.19080	0.8
665.33771	2.2
674.76251	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.05511	7.9
57.03162	0.6
57.03440	13.5
57.07078	27.2
59.04999	3.5
61.02927	4.7
65.03937	1.4
67.05505	70.0
68.05827	1.3
69.03421	0.9
69.07069	6.7
71.04992	2.5
71.08234	1.0
71.08632	19.8
73.02921	1.3
73.53701	0.6
78.24891	0.5
79.05476	2.3
81.03410	1.4
81.07056	18.1
83.05004	0.7
83.08620	10.1
85.02912	4.0
85.06545	2.0
85.10182	10.5
89.06030	1.6
91.03955	1.6
91.05473	5.2
93.07035	4.2
93.23515	0.5
95.04964	0.8
95.08606	17.5
96.08954	0.9
97.02898	2.5
97.06554	0.8
97.10172	3.0
98.23442	1.1
99.04467	0.5
103.07590	0.8
105.07024	1.4
107.08603	2.4
109.10155	73.7
110.10508	1.9
111.08089	2.6
111.11694	0.8
119.08595	4.5
121.10146	1.2
123.11707	2.5
131.24329	0.5
133.10110	1.2
135.11702	0.6
137.09654	3.4
137.13281	0.8
145.10106	0.8
155.10677	5.4
171.11674	0.7
173.11734	19.8
174.12141	1.2
184.07385	0.9
229.14346	100.0
230.14676	5.3
239.23712	1.1
257.24765	1.4
313.27350	83.6
314.27698	7.2
444.37320	0.5
467.37308	61.4
468.37665	8.5
664.44458	1.4
665.44855	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	8.0
55.05519	28.2
55.05745	5.6
57.03447	18.2
57.07069	9.5
65.03941	7.8
67.05509	91.6
69.07067	40.4
69.64684	6.7
69.65088	18.0
71.05013	5.5
71.08620	3.4
79.05498	57.2
80.73506	3.7
81.03426	5.0
81.07060	100.0
83.04980	8.7
83.08614	16.8
91.05479	59.6
93.07049	61.4
95.04977	12.2
95.08609	71.2
95.39100	3.7
97.06538	11.1
97.10181	6.9
105.07034	34.2
107.08592	24.2
109.06504	6.4
109.10152	23.3
111.08102	6.0
111.40947	3.3
117.07021	11.4
119.08539	28.2
121.10177	19.5
123.11726	10.8
131.08571	18.2
133.10126	23.0
135.11702	8.1
137.13196	4.0
141.06998	4.0
143.08540	8.5
145.10118	14.2
147.11688	12.0
149.09633	10.3
149.13258	9.0
159.11719	8.7
161.13254	6.2
173.13193	4.4
175.14929	4.6
178.38744	3.7
195.13785	4.9
221.15262	4.2
255.16168	3.5
257.18964	6.5
263.23624	6.6
269.17627	10.1
275.20065	21.1
309.20462	6.1
310.10574	4.3
337.27374	63.8
338.27551	5.8
349.23837	10.9
359.67590	4.0
383.13751	4.8
384.14249	4.4
440.20514	5.0
491.36801	5.0
517.38831	7.3
531.40564	32.4
532.40894	9.2
552.33307	7.8
571.43585	20.4
572.43591	4.6
608.39447	4.2
611.45941	7.6
664.48242	30.6
665.48291	6.4
672.47504	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.5
55.01874	7.0
55.05515	30.2
57.07073	11.1
62.42015	6.1
62.53805	6.1
64.08625	5.6
67.05503	91.3
69.07064	29.0
71.08646	8.1
71.29794	8.9
72.92089	5.5
75.26678	6.5
79.05491	66.5
81.07060	81.0
83.04976	13.6
83.08630	16.6
83.41273	5.9
85.06525	7.5
91.05479	40.9
93.07048	68.0
95.04974	13.3
95.08609	55.3
97.06548	7.0
97.10191	9.6
105.07013	36.2
107.08584	42.5
109.10190	19.6
115.28465	6.1
115.64826	8.6
117.07033	10.5
119.08574	16.2
121.10168	24.5
123.11775	9.1
131.08575	17.8
133.10139	15.0
135.11702	18.6
145.10062	12.8
147.11707	13.3
149.13268	19.9
151.11180	8.2
159.11710	14.0
207.10521	6.5
261.21869	6.0
277.21606	11.3
283.66711	6.2
335.25766	33.9
351.25241	14.7
383.13989	6.0
407.25693	7.1
422.97922	5.4
439.20291	6.9
492.37656	12.3
527.30920	8.3
529.38794	100.0
530.39240	21.6
552.33197	13.0
608.38916	8.5
665.45258	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.4
53.03947	3.5
55.05511	2.9
67.05495	3.1
69.07072	1.9
77.03914	1.5
79.05480	2.5
81.07057	5.6
83.04973	3.4
88.06945	1.1
88.92007	0.9
89.50355	1.0
91.05482	3.0
93.07040	4.7
95.04960	6.9
95.08598	6.5
99.04428	1.3
105.03392	59.4
105.04545	3.1
105.07033	4.2
106.03724	2.5
107.08598	4.1
109.10159	3.1
111.08090	1.3
119.08559	4.2
121.10143	3.6
128.06204	1.4
131.08534	2.4
133.10126	3.1
135.11697	1.4
139.07524	1.2
141.06953	1.2
145.10098	2.6
147.11708	2.2
157.10089	1.6
159.08061	1.5
159.11702	1.3
161.13217	1.6
165.05492	3.4
165.07021	3.4
167.03430	2.6
167.07173	1.4
167.08595	2.6
169.10085	2.1
170.10854	1.0
171.11696	1.3
173.13260	1.4
179.08562	3.3
181.06570	1.1
181.10132	2.0
182.07277	7.2
183.11646	1.7
188.08411	3.0
194.07285	1.3
195.08055	1.5
197.09596	8.5
197.13309	2.0
199.07550	1.7
201.09065	1.0
201.16483	1.6
203.10640	5.5
209.13281	1.4
210.06766	12.5
211.07478	3.0
212.08301	1.7
219.08124	1.2
221.05978	1.1
222.06712	1.2
222.74275	1.1
223.07544	3.0
224.08437	2.9
225.05608	2.1
225.09093	36.8
226.06114	2.4
226.09424	1.1
227.07059	3.2
235.07529	3.6
235.14709	1.2
237.05531	1.3
237.12733	1.1
238.06219	10.9
239.03510	1.2
239.06996	2.2
240.07715	5.4
241.08514	1.7
242.09308	2.5
249.09158	1.0
250.09816	1.8
251.06927	3.1
252.07846	3.8
253.08600	36.3
254.05707	2.6
254.09024	2.7
255.06578	3.1
255.10172	3.5
257.04501	2.5
261.09268	1.5
263.06952	2.4
265.08710	1.7
265.12262	2.8
266.05743	4.6
267.06403	2.4
267.10172	3.7
268.07288	6.3
269.08017	1.7
270.08926	3.0
277.08652	2.1
278.09305	4.0
279.06720	1.4
279.10098	3.5
280.07355	2.5
280.10559	1.6
281.08075	66.2
282.05490	2.2
282.08551	5.6
283.06158	2.1
283.09616	8.2
285.04010	3.8
285.07782	1.2
285.11142	5.0
291.06635	1.3
291.09973	1.6
292.10919	1.9
293.08249	2.0
293.11725	5.0
294.12222	1.4
295.09573	2.7
295.12967	1.3
296.06708	3.7
296.10248	1.3
297.07538	3.7
298.08319	5.0
299.09085	1.8
300.06311	6.1
301.07083	2.4
306.08737	1.2
307.09531	3.2
308.10498	1.8
309.07657	1.9
309.11118	2.5
310.11969	2.6
311.09137	34.6
311.12784	1.6
312.09558	4.4
313.07022	3.5
313.10718	15.3
315.08743	10.6
316.05737	1.5
320.10355	2.8
321.07724	2.2
321.11243	4.1
322.11911	1.6
323.09064	2.7
323.12848	3.5
325.10693	1.5
325.14279	17.8
326.14511	1.7
327.08768	2.0
328.09332	3.9
336.09903	3.2
337.10709	4.8
338.11453	1.8
343.11752	100.0
344.11945	7.6
351.12219	13.1
352.13010	5.6
353.13846	14.6
355.15363	3.1
383.14886	44.4
384.15277	3.6
409.16168	4.4
421.10553	12.0
422.10059	5.8
447.14120	3.2
448.31488	1.2
543.14166	62.9
544.14612	7.2
563.22382	1.9
577.23987	6.0
622.58423	1.1
646.43359	1.4
647.44073	2.6
664.43994	2.1
665.45728	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54874	0.6
55.05499	1.3
58.99034	0.6
67.05498	1.4
68.82197	0.7
73.75319	0.7
81.07052	0.7
83.04977	1.5
83.42638	0.6
91.05473	1.2
93.07057	1.6
93.30267	0.8
95.04977	1.2
95.08597	1.7
102.52861	0.6
103.36871	0.6
105.03389	7.3
105.07017	2.0
107.08604	1.4
119.08647	1.0
121.10163	0.6
124.14301	0.7
131.08574	0.9
133.10129	1.1
145.34196	0.6
155.08620	0.6
157.09972	0.7
158.43774	0.6
160.12057	0.7
165.05457	1.9
165.06857	0.9
166.07826	1.2
177.07030	1.1
178.07843	1.0
179.08525	1.9
181.06490	1.5
185.09625	0.6
189.07036	0.8
190.07787	0.7
194.07298	2.6
195.08095	1.8
196.08800	1.3
197.05952	1.7
203.06964	0.8
205.06516	2.2
206.07292	1.4
207.08038	2.7
208.08626	1.1
209.05994	1.7
209.09592	1.6
210.06810	1.6
211.07578	2.2
211.11040	0.9
212.08176	0.9
213.09111	1.1
219.08115	1.1
221.05934	1.5
222.06752	3.3
223.07509	3.0
224.08308	4.7
225.05505	1.4
225.09052	1.4
226.06252	2.0
226.09732	0.9
227.07037	1.4
233.06061	1.3
234.06770	2.6
235.07535	6.4
236.04720	0.8
236.08270	3.5
237.05490	3.5
237.09074	4.4
238.06117	3.2
238.09834	1.2
239.07034	2.4
239.10690	3.0
240.07803	1.5
241.04977	2.0
241.08640	2.5
242.05821	0.9
247.07690	1.4
248.08218	1.4
249.05486	1.3
249.09108	1.9
250.06235	5.7
251.07001	5.9
252.07840	10.1
253.05008	2.6
253.08582	3.2
254.05740	4.8
254.09404	1.9
255.06511	2.5
256.07373	1.6
257.04480	1.6
263.06973	4.2
264.07806	2.9
265.05002	2.7
265.08612	8.5
266.05853	1.4
266.09335	3.8
267.06598	4.1
267.10168	12.5
268.07349	6.2
268.10669	2.0
269.04904	1.1
269.08060	3.8
271.06024	2.8
275.07199	0.8
277.08786	1.3
278.05914	1.5
279.06516	3.2
279.10022	1.4
280.07303	6.5
280.10233	1.1
281.05215	1.1
281.08075	5.6
281.11310	1.1
282.05429	1.7
282.08881	2.6
283.06110	1.5
283.09641	2.4
284.06894	3.9
284.10077	0.8
285.04572	0.8
285.07489	3.2
291.06567	2.0
292.07303	1.7
293.08035	13.0
294.05722	0.9
294.08774	4.5
295.06100	3.8
295.09576	22.0
296.06812	1.8
296.10272	3.3
297.07556	5.7
297.11166	4.1
298.08273	1.1
299.05676	1.3
299.09125	6.1
300.06287	2.6
300.09448	0.8
306.08832	1.5
307.06033	1.2
307.09717	1.9
308.06760	1.7
309.07608	5.6
309.11301	2.2
310.08423	4.5
311.05801	0.9
311.09109	4.1
312.06476	0.8
312.09888	2.5
313.07065	3.4
313.10596	1.4
314.07840	2.4
315.08661	6.9
316.09024	0.8
322.04437	1.5
322.08066	1.0
323.05527	1.3
323.09158	4.1
323.12579	0.9
324.09808	1.9
325.10681	17.5
326.07767	1.1
326.11166	3.1
327.08643	11.6
327.12274	5.6
328.09341	4.0
329.10184	7.1
329.13809	0.8
333.07013	1.2
335.09155	1.6
337.06952	1.1
337.10626	1.5
339.08542	1.0
339.12369	2.2
340.09399	1.5
340.13181	1.5
341.10217	2.6
342.10953	13.4
343.11533	1.6
347.08679	1.7
350.07318	0.7
350.11465	1.0
351.08716	1.0
352.09189	1.0
355.11758	33.1
356.12247	3.7
357.13309	30.8
357.17776	1.4
358.13721	2.4
363.08401	2.1
366.11163	0.9
367.11676	2.9
368.12463	1.2
369.13397	1.7
370.10474	1.5
371.14893	1.8
372.09677	1.2
373.06754	1.1
375.08380	1.1
377.10233	1.6
378.10672	1.5
381.13403	3.4
389.09946	0.8
390.10779	3.6
391.11588	2.2
399.14420	8.3
403.11475	0.9
406.10391	3.4
409.16440	0.8
421.12579	100.0
422.12894	8.3
449.29266	0.8
528.14050	1.4
543.16241	56.5
544.16608	7.8
609.13916	0.9
664.44452	2.5
665.19843	6.5
665.31195	1.0
665.44940	0.9
666.19995	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.6
55.05512	26.5
56.64974	3.6
57.07077	10.0
58.06345	2.9
63.10509	3.2
63.20205	3.3
64.60105	2.9
65.03925	4.4
66.53888	3.4
67.05502	49.1
69.03440	4.3
69.07071	36.9
71.08645	4.3
75.62061	3.2
79.05492	36.2
81.07061	65.3
83.04987	27.6
83.08630	14.2
91.05483	52.1
93.07049	79.8
95.04987	7.4
95.08607	97.6
96.08936	4.3
97.10183	7.7
105.06371	7.0
105.07034	71.9
107.04989	3.6
107.08588	74.2
107.09274	4.3
109.06512	7.7
109.10154	40.0
110.10473	3.3
111.04451	10.7
111.08088	17.8
115.05446	4.5
117.07034	16.5
119.08591	69.3
121.06550	4.7
121.10146	45.3
123.08101	9.2
123.11693	20.3
125.09662	4.4
128.06219	7.0
129.06996	10.6
131.08565	37.3
133.06552	3.7
133.10129	65.2
135.08043	5.8
135.11676	29.4
137.05988	3.9
139.07556	13.0
141.07028	11.9
142.07797	13.3
143.08569	31.2
144.09235	3.3
145.06436	4.1
145.10123	44.3
147.08025	8.1
147.11690	58.2
147.12753	5.3
148.12125	3.4
149.09639	5.0
149.13304	12.6
153.07089	4.4
154.07697	5.1
155.08533	20.6
156.09314	10.3
157.10123	38.3
159.08098	5.7
159.11705	30.2
161.09679	8.6
161.13237	19.0
162.71175	3.4
163.11194	4.2
163.14853	10.5
165.07025	7.5
166.07718	3.3
167.08575	10.1
169.10121	25.1
170.10895	7.3
171.11639	28.4
172.12238	3.2
173.09654	7.2
173.13301	19.9
175.11220	10.7
175.14830	11.2
177.16399	16.4
178.07785	4.0
179.08626	7.5
181.10178	21.3
182.10880	6.4
183.08145	4.5
183.11662	26.9
183.73473	3.4
184.12447	5.7
185.09686	7.3
185.13240	17.4
187.11258	8.6
187.14790	9.8
189.12703	6.4
189.16380	34.1
191.17981	6.9
192.09309	6.0
193.10121	15.5
194.10902	6.6
195.11736	23.1
196.12512	7.9
197.13228	20.6
197.72549	3.3
199.11249	10.2
199.14836	16.7
201.12758	8.0
201.16400	20.3
203.17963	23.6
205.10178	8.3
205.12132	3.8
206.10883	6.2
207.11736	21.2
208.12373	4.4
209.09636	4.0
209.13269	17.2
210.13905	4.0
211.11375	4.9
211.14880	15.0
213.16411	8.4
215.10628	3.7
215.17976	10.3
217.10193	4.3
217.12158	3.8
217.15956	5.6
218.10909	3.8
219.11720	12.3
220.12364	4.8
220.50130	3.8
221.13292	20.4
223.11060	3.6
223.14857	14.9
225.12920	4.2
225.16409	7.9
227.14296	4.1
227.18059	3.8
229.10042	5.7
229.22214	5.0
231.11676	7.9
231.17287	4.6
232.12473	5.8
233.13252	9.3
233.15414	4.0
234.14079	5.1
235.14874	13.8
237.16397	8.1
239.14220	6.8
239.17984	4.5
241.15855	4.1
243.11705	6.4
243.13945	4.3
245.13287	12.0
245.15440	5.9
247.14886	13.8
249.12766	5.3
249.16441	9.6
251.17949	11.0
253.19678	4.1
257.13141	6.1
259.14853	10.4
260.15463	6.1
261.16394	11.7
263.14310	5.2
263.17932	7.6
265.19507	4.5
271.14740	5.6
273.16284	7.5
275.14301	5.4
275.17896	10.6
279.17685	3.9
285.16306	5.8
287.14301	3.9
287.17868	6.2
289.19580	5.7
291.17383	5.8
295.17059	5.9
299.18076	4.2
301.19522	3.8
303.17813	4.6
303.21060	5.3
305.19003	8.1
307.16962	4.3
317.18970	6.7
317.22748	4.2
319.24280	4.2
331.24286	4.1
357.25818	4.3
359.27530	3.4
379.25873	3.6
385.28937	4.7
391.26398	4.0
403.30365	4.8
415.26138	4.3
421.31216	6.0
443.25876	13.8
445.27921	4.8
461.26718	11.4
475.28348	3.6
489.29675	5.3
507.35587	3.5
511.35675	10.9
605.43665	15.7
606.43811	3.6
609.38879	3.7
619.45190	31.3
620.44891	6.4
621.46460	13.8
629.43304	17.3
647.44604	68.0
648.44415	13.2
665.45532	100.0
666.46252	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.0
55.01860	3.1
55.05521	18.1
57.03451	2.6
57.07075	7.9
59.42787	1.9
59.83851	2.3
65.03957	3.5
67.05508	34.3
68.95531	2.1
69.03429	2.7
69.07066	31.0
70.62856	1.9
71.29768	2.7
75.77684	1.9
79.05496	25.9
81.07058	40.7
81.32851	2.0
83.04986	20.9
83.08607	10.4
84.23282	1.9
91.05479	33.6
93.07047	45.4
95.04981	7.7
95.08607	65.3
97.06536	2.2
97.10158	3.6
105.07034	45.2
107.08598	54.6
107.09289	4.3
109.06549	2.8
109.10163	24.9
110.30093	2.6
111.04456	12.7
111.08083	10.3
115.05418	2.5
117.07010	13.2
119.08585	54.9
121.06548	5.2
121.10146	35.3
123.08087	3.5
123.11710	13.1
125.05985	2.4
128.06230	6.7
129.07016	13.3
130.07846	2.7
131.08574	25.8
133.06537	2.1
133.10139	38.9
133.11116	1.6
135.08104	4.0
135.11693	19.5
137.13260	3.2
139.07571	8.3
141.07010	6.9
142.07784	9.7
143.08580	25.4
144.09402	2.5
144.65160	2.1
145.06526	3.1
145.10106	26.9
147.08076	5.5
147.11690	34.8
147.12767	3.6
148.12123	2.7
149.13272	9.8
153.07062	3.5
154.07768	2.1
155.08566	17.1
156.09344	9.7
157.06586	3.4
157.10135	28.2
159.08122	4.1
159.11679	24.6
161.09651	8.7
161.13258	10.9
163.14839	11.0
165.07059	7.4
167.08612	8.1
168.09343	3.7
169.10130	19.4
170.10910	7.4
171.08078	5.1
171.11702	24.6
172.08798	4.9
173.09659	4.8
173.13228	10.3
175.11292	3.7
175.14906	5.3
177.16367	16.8
179.08595	9.2
180.09422	2.9
181.10103	13.1
182.10902	3.9
183.11700	19.7
184.12363	3.4
185.09685	3.5
185.13255	20.1
187.11217	6.3
187.14857	8.0
189.12782	5.6
189.16432	11.8
189.52022	2.2
191.17990	4.6
192.09337	5.5
193.10149	11.4
194.10980	6.0
195.11673	15.1
196.12518	3.6
197.09525	2.8
197.13200	16.0
199.11240	8.6
199.14882	10.5
201.12769	5.9
201.16357	13.0
203.08606	3.7
203.17967	22.7
205.10165	9.2
205.12222	3.6
206.10982	7.7
207.11700	17.1
208.12462	4.1
209.09760	2.6
209.13255	15.7
211.11183	4.5
211.14714	14.2
212.15634	2.2
213.12755	5.3
213.16362	5.2
215.18034	5.8
217.10204	4.6
217.12218	4.2
217.16116	2.7
219.11713	8.7
220.12436	2.7
221.09857	2.6
221.13289	13.7
221.18217	2.3
223.11198	4.3
223.14880	9.4
225.12830	6.6
225.16428	6.0
227.14423	5.2
227.17961	3.1
230.11104	2.8
231.11752	7.3
231.13817	2.4
232.12482	3.3
233.13359	10.3
234.14095	3.1
235.14874	9.6
236.15561	2.4
237.12758	8.0
237.16437	7.3
239.14301	5.6
239.18036	4.4
243.11682	3.3
244.12534	3.1
245.13235	6.0
245.15482	4.1
246.14049	3.3
247.11198	5.8
247.14919	9.8
248.15654	2.5
249.12711	5.2
249.16476	9.0
251.14384	4.7
251.18037	4.3
253.19765	2.4
257.13174	2.9
257.15591	2.9
258.14172	2.7
259.14825	9.7
260.11697	2.5
260.15601	3.2
261.12811	3.8
261.16455	8.7
263.14493	4.9
263.17947	7.0
265.12445	3.0
265.15820	2.7
265.19534	3.7
266.20154	2.2
270.14209	3.8
271.14923	7.8
273.16498	7.9
274.17194	4.4
275.14459	4.8
275.17896	6.7
277.16071	2.5
277.19366	4.3
285.16336	4.8
286.13943	2.6
286.17093	2.9
287.14386	4.3
287.18021	6.2
289.15869	5.6
289.19244	3.7
291.17627	3.0
293.18839	2.1
295.17044	4.0
297.16260	2.8
299.14420	2.4
299.17706	5.4
301.16074	2.5
302.19904	2.4
303.17419	4.1
303.20993	3.8
305.19418	2.6
305.22742	4.5
307.16769	2.9
310.17255	2.3
311.14505	2.8
313.15991	3.0
313.19315	5.1
315.20935	3.6
317.19199	2.8
319.20685	2.7
319.24243	3.7
327.21133	4.8
343.24466	3.9
345.18320	2.8
387.30539	2.3
403.30026	9.8
415.26132	2.8
421.31131	3.5
425.24942	3.0
443.25644	17.4
445.27560	3.4
457.31430	4.3
461.27023	8.5
493.38544	3.0
501.30038	5.4
513.30334	5.2
605.43256	11.8
619.45129	19.0
620.45050	2.9
621.46655	38.9
622.47107	5.8
629.43414	14.1
630.44678	3.1
635.72217	2.5
647.44568	96.4
648.44830	19.6
665.45624	100.0
666.45734	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.1
55.05507	15.7
57.07093	4.9
65.03954	2.8
67.05509	32.5
69.03437	4.7
69.07075	25.1
69.25773	18.7
79.05488	23.9
81.07066	47.8
83.04974	22.7
83.08627	9.7
91.05480	32.8
93.07040	49.2
94.73064	2.3
95.05013	12.8
95.08604	64.5
95.09151	4.8
97.06558	3.2
97.10164	4.5
99.04513	2.9
105.07027	42.2
107.08588	50.0
109.06536	4.8
109.10168	19.4
111.04463	7.7
111.08098	11.9
117.07037	11.3
117.64225	2.9
119.08584	45.1
121.00414	2.8
121.06516	4.2
121.10150	33.6
123.08091	4.6
123.11728	9.1
125.06078	3.2
128.06248	5.6
129.07019	9.5
131.08562	24.2
133.10136	42.9
135.08121	5.1
135.11711	18.8
139.07513	6.3
140.87347	3.0
141.06998	2.7
142.07800	7.1
143.08556	18.0
144.09312	5.4
145.10146	26.7
147.08182	5.7
147.11688	30.5
149.13293	7.2
153.06993	3.5
154.07693	3.2
155.08517	12.4
156.09364	8.0
157.10123	27.9
159.11707	26.0
161.09671	10.4
161.13297	10.8
163.14882	7.6
165.07100	4.9
166.07761	3.5
167.08661	9.8
168.09489	3.5
169.10124	21.7
170.10945	3.4
171.11684	23.2
173.09561	3.0
173.13315	10.6
175.11261	5.7
175.14885	6.5
177.16386	16.2
179.08597	9.4
181.10135	12.2
182.10997	4.8
183.11699	21.8
185.09702	4.5
185.13283	11.2
187.11208	4.3
187.14899	6.3
189.12775	3.9
189.16461	12.0
191.17934	3.9
193.10213	9.4
194.10890	5.5
195.11732	14.4
196.12357	4.1
197.13258	19.3
198.14024	3.3
199.11255	9.2
199.14854	8.0
201.16403	10.5
203.18013	10.4
205.10162	8.7
206.10878	4.9
207.11755	13.0
208.12520	3.6
209.09622	3.7
209.13304	10.7
210.13988	2.5
211.11192	3.6
211.14873	9.3
213.12833	4.8
217.10138	3.6
218.10898	3.1
219.11754	9.9
220.12521	3.0
221.13312	15.0
222.13901	2.9
223.11371	4.8
223.14859	7.1
225.12709	3.3
225.16417	5.1
227.14343	5.0
227.18004	4.6
231.11693	6.7
231.13947	4.6
232.12483	3.9
233.13319	9.3
234.14027	4.7
235.14827	10.5
237.12648	3.2
237.16383	4.8
239.14421	6.0
243.11647	5.8
243.52812	2.8
244.12576	3.7
245.13338	9.6
246.13966	3.8
247.14894	8.7
249.12833	4.6
249.16422	7.4
251.14629	3.1
251.18004	6.0
257.13254	6.8
259.14914	7.4
260.42444	2.9
261.16461	7.4
263.18002	6.0
265.15918	4.2
269.13339	3.3
271.14841	6.2
273.12875	2.9
273.16489	4.2
275.18033	5.0
277.19464	4.7
279.20886	3.2
283.14789	3.6
285.16379	3.9
286.17184	4.1
287.14481	4.5
287.17911	5.4
289.16162	4.3
289.19489	4.0
291.21375	3.8
293.22659	3.3
299.17783	3.6
315.17551	3.6
317.18918	4.8
403.30273	7.5
421.30737	4.5
443.25891	14.6
445.26721	3.6
457.27499	4.3
461.26819	5.9
471.32922	3.3
501.29736	3.4
513.30206	5.1
605.43170	12.2
619.45380	15.5
620.45868	4.0
621.46552	35.5
622.47131	4.6
629.43878	11.7
647.44604	77.7
648.45337	13.1
665.34045	5.4
665.45636	100.0
666.46118	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.3
51.02382	0.4
51.68869	0.3
53.03949	3.5
55.01876	0.6
55.05512	58.7
56.05847	1.3
57.07078	0.4
65.03954	0.4
67.05505	2.6
69.03441	0.4
69.07060	2.4
70.32259	1.0
71.42544	0.3
77.03947	0.5
79.05484	2.1
81.07054	3.8
82.07360	0.5
83.04980	100.0
83.08614	0.6
84.05301	1.7
86.09713	0.4
91.05472	2.6
93.07050	4.6
94.07407	0.4
95.04966	2.9
95.08601	5.1
96.08900	0.4
103.61057	0.3
105.03390	16.9
105.04533	0.9
105.07036	3.4
106.07344	0.3
107.08598	4.5
109.06507	0.6
109.10130	2.4
109.59927	0.3
111.04443	0.9
111.08067	1.1
115.05459	0.3
117.07040	1.0
119.08586	3.1
121.06570	0.4
121.10145	2.4
123.08022	0.5
123.11702	0.8
128.06223	0.7
129.07051	0.8
131.08556	2.0
133.10126	3.6
134.10429	0.5
135.11685	1.8
135.88086	0.3
137.09521	0.3
139.07545	0.4
141.07002	0.5
142.07797	0.6
143.08546	1.3
145.10123	2.3
147.11685	2.4
148.11966	0.4
149.13205	0.8
151.07404	0.4
152.06224	1.0
153.06984	0.5
155.08505	1.5
156.09344	0.7
157.10124	2.4
159.08057	0.5
159.11652	1.6
161.09647	0.6
161.13281	1.2
163.11108	0.4
163.14799	0.6
165.07014	0.8
167.08577	1.9
168.09349	0.3
169.10074	1.3
171.11716	1.7
173.09587	0.4
173.13229	0.8
175.11160	0.6
177.07072	0.3
177.16330	0.9
178.07687	0.7
179.08527	1.2
181.10132	1.0
181.12059	0.4
182.10837	0.6
183.11694	1.0
184.07295	0.9
184.12158	0.4
185.09592	0.6
185.13254	0.8
187.11194	0.7
187.14767	0.5
189.12747	0.7
189.16409	1.0
191.62489	0.4
193.10152	1.0
195.08038	3.3
195.11652	1.1
196.08600	0.4
196.12299	0.4
197.09573	0.6
197.13269	1.2
198.10110	0.3
199.03999	0.7
199.14766	0.7
201.12668	0.4
201.16393	1.2
202.16722	0.4
203.17960	0.7
205.06461	0.4
205.10104	0.6
207.07986	0.6
207.11662	0.9
208.12354	0.5
209.13258	1.0
211.14813	1.0
212.04857	0.4
212.15103	0.4
213.05460	1.3
215.17953	0.4
219.11568	0.4
220.12363	0.5
221.13176	0.7
223.07521	2.6
223.14871	0.6
225.01819	1.1
225.12787	0.6
225.16353	0.5
226.06122	0.6
226.13541	0.3
226.16919	0.4
227.03471	0.4
227.07043	0.6
231.13716	0.5
233.05887	0.6
233.13153	0.8
234.10426	0.4
235.11081	0.4
235.14774	0.7
237.05435	1.0
237.16313	0.5
238.06087	0.7
239.03369	0.4
239.07014	1.4
240.07793	0.7
241.04901	0.8
241.08507	0.6
241.12167	0.4
245.13173	0.4
245.15486	0.4
247.11043	0.3
247.14799	0.8
249.05472	2.1
249.12659	0.5
250.06075	0.5
251.07060	1.8
251.17947	0.5
252.04140	0.5
253.04936	1.3
253.08611	7.6
254.09048	0.7
255.02811	0.6
257.13086	0.5
258.13681	0.4
259.14627	0.6
261.16232	0.7
263.06985	3.0
263.17953	0.4
264.07758	2.8
265.04895	4.7
265.08447	0.9
266.05750	8.7
266.08627	0.5
267.06412	2.8
269.04712	0.5
271.05942	0.7
275.17838	0.5
277.12112	0.7
279.06433	1.5
280.07217	1.1
281.08075	38.3
282.08371	2.7
284.06802	1.1
291.06482	0.7
293.07898	0.4
294.05011	1.1
297.07474	0.5
301.19373	0.6
307.13229	1.5
308.06607	0.4
309.07562	14.5
310.07822	0.7
313.10727	4.5
323.09161	5.6
323.12802	0.3
335.12552	0.9
341.10181	7.0
349.10468	0.6
353.06198	0.6
363.12137	2.1
367.08286	0.6
367.15417	5.3
368.15741	0.4
381.13211	0.7
391.11844	1.6
392.11960	0.4
395.14807	1.7
398.63916	0.4
411.29886	0.4
413.08670	4.5
414.08835	0.5
421.30862	0.4
423.14310	4.3
424.14645	0.5
427.09839	0.5
443.25824	0.8
461.26511	0.4
467.13123	0.6
495.12842	3.6
499.15723	0.7
605.42621	1.2
606.43286	0.8
621.46033	1.3
622.46356	1.2
630.44183	0.5
647.44543	2.1
648.44830	1.9
665.45770	5.1
666.45880	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
53.05176	0.4
55.01846	0.5
55.05503	1.9
57.03434	0.6
58.77607	0.4
61.02934	0.6
67.05502	1.2
69.03426	1.6
69.12920	2.7
79.05471	0.8
81.03392	1.1
81.07056	1.3
83.04994	2.1
83.08621	0.5
85.02909	3.9
91.05477	0.9
93.07063	0.8
95.04980	0.8
95.08602	0.5
97.02910	1.5
98.22636	0.9
105.07055	0.8
107.08575	0.6
109.02908	0.5
109.10144	0.6
121.10194	0.6
122.10448	0.4
123.11700	0.4
128.86977	0.4
129.05376	0.4
135.11649	0.4
145.04938	0.5
152.06117	0.4
155.41411	0.4
157.06480	0.5
157.10182	0.4
159.04391	0.9
163.07648	0.4
165.07013	0.5
165.57433	0.4
166.07870	0.4
171.78886	0.4
179.08563	1.1
181.06450	0.8
182.37906	0.4
183.08020	0.8
184.07390	0.4
187.07336	0.5
191.07072	1.0
193.10129	0.5
194.07243	0.5
195.08025	1.1
196.05173	0.4
196.08711	0.5
197.05943	0.9
197.09607	0.8
199.07506	0.6
205.04642	0.5
205.06468	0.5
207.08151	2.2
209.09630	1.1
210.06758	1.2
211.07533	1.6
211.11201	0.6
212.08115	0.4
213.05499	1.7
213.08826	0.4
221.05917	0.8
221.09497	0.4
222.06715	0.9
223.07503	0.9
224.08197	1.9
225.05482	0.9
225.09109	2.9
226.06288	1.5
227.07018	1.6
229.04993	0.5
229.14354	0.6
233.05835	0.5
233.09602	1.1
234.06708	0.5
235.07541	2.7
236.08270	1.9
237.05507	0.9
237.09096	2.1
238.06187	2.4
239.07022	1.7
239.10600	2.4
240.07768	1.2
241.04977	1.5
241.08640	1.9
242.05779	1.0
243.06595	1.0
247.07684	0.5
249.05589	0.8
249.09061	0.7
250.06252	0.8
250.09879	0.8
251.07071	2.1
251.10701	1.1
252.07753	3.0
253.05188	0.9
253.08592	5.2
254.05742	1.2
254.09274	1.1
255.06676	2.0
255.10127	1.5
256.07297	1.5
257.08047	1.6
258.05292	0.6
261.09207	1.1
263.07092	2.1
263.10364	0.4
264.07773	1.3
265.08591	3.1
265.12210	0.8
266.05731	1.3
266.09262	1.1
267.06577	1.6
267.10172	5.7
268.07352	2.3
268.10062	0.5
269.04630	1.0
269.08167	2.4
269.11765	1.3
270.05255	1.9
270.08597	1.0
271.06021	4.6
271.09250	0.8
272.06735	1.1
273.07578	1.2
277.08612	0.7
278.09384	0.8
279.06985	0.6
279.10168	2.4
280.07269	1.3
280.10684	0.5
281.08096	9.6
281.11209	0.8
282.05374	0.8
282.08820	2.2
283.06070	1.6
283.09662	6.9
284.06796	2.3
284.10101	1.0
285.07614	5.2
285.11301	1.5
286.04761	1.7
286.08142	0.9
287.05545	1.1
287.09125	2.2
292.07510	0.6
293.08051	2.5
293.11371	0.8
294.08908	1.2
295.06387	0.7
295.09671	4.9
295.13071	0.7
296.06830	0.6
296.09961	0.7
297.07632	2.2
297.11224	4.1
298.08243	1.4
298.11462	0.5
299.05521	2.4
299.09140	3.9
300.06177	1.1
300.09766	0.9
301.07025	4.0
302.07834	0.6
306.09024	0.6
307.09695	1.3
308.10287	0.5
309.07553	0.9
309.11053	0.9
310.08243	1.0
311.09128	11.4
311.12546	0.6
312.09674	2.0
313.07059	2.6
313.10712	6.7
314.07852	7.7
314.11206	0.9
315.04987	1.5
315.08603	6.3
315.12210	1.7
316.09082	0.6
319.09589	0.5
321.11288	0.6
322.08270	0.6
323.12714	0.5
324.09814	0.9
325.10690	9.5
326.11075	0.6
327.08612	1.6
327.12271	1.0
328.09415	1.5
329.09961	1.1
330.07413	2.8
337.10590	1.5
339.12198	4.0
343.11765	24.7
344.12155	1.7
345.09686	8.6
351.12234	1.0
357.13257	5.9
358.13794	0.7
369.13251	3.6
387.14352	100.0
388.14719	7.6
437.24829	0.4
439.19583	0.6
451.26608	0.5
469.21249	0.6
469.28268	0.5
502.36707	0.4
549.20105	0.5
640.49475	0.5
665.41156	0.8
666.32111	1.1
666.41602	1.2
667.22424	0.6
667.32764	6.8
669.09418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.7
61.63762	1.8
71.32613	2.4
82.66428	1.9
83.04987	9.9
84.89615	2.0
95.04906	2.4
99.04452	2.1
105.03389	16.0
193.06560	2.4
194.07367	2.4
196.08685	2.4
205.06451	2.9
206.07272	2.1
207.08023	2.9
211.07474	2.9
213.13641	2.1
222.06720	4.4
223.07304	2.6
224.08353	3.6
233.05913	3.7
234.06750	3.4
235.07527	5.2
236.08142	4.0
237.05319	2.8
237.09044	5.4
238.06152	2.7
238.09619	2.0
239.07098	4.0
239.10594	4.4
240.07774	2.7
250.06177	8.0
251.07043	6.4
252.07727	8.4
253.04935	2.5
254.05804	3.4
256.07205	2.7
263.06934	5.2
264.07776	4.0
265.08630	15.3
266.05612	2.3
266.09256	4.6
267.06610	1.9
267.10229	14.6
268.07227	5.5
269.08035	3.4
271.06030	2.7
278.05716	2.4
279.06439	4.9
280.07251	7.4
280.10336	2.1
281.08066	5.6
282.08780	3.0
283.09503	2.4
284.06870	2.4
291.06390	4.2
292.07239	5.7
293.08023	26.2
294.08701	6.3
295.06363	3.5
295.09619	27.2
296.06674	5.0
296.09927	2.8
297.07458	6.8
297.11194	6.1
299.05679	3.5
299.09113	4.6
299.12457	2.0
300.06107	3.7
309.07516	4.4
310.08282	4.6
311.08902	4.7
313.07004	6.0
313.10443	2.2
315.08694	11.2
316.08871	2.2
322.08224	2.9
323.09125	10.4
324.09738	3.9
325.07196	2.7
325.10651	38.7
326.11215	5.8
327.08527	9.4
327.12311	8.2
328.09393	3.9
329.10144	13.2
337.10675	4.1
339.08606	3.1
340.09033	2.3
341.10153	5.5
342.10928	22.5
343.11530	5.8
353.10031	5.3
354.10681	2.1
355.11743	100.0
356.12128	10.5
357.13324	77.8
358.13528	6.7
359.11218	5.6
367.11685	6.4
369.13339	3.1
381.13220	8.2
397.12683	3.9
399.14401	24.4
400.14474	2.8
421.12573	2.6
422.12952	3.9
424.59274	1.9
444.69290	1.9
651.36871	2.1
683.13428	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.05513	38.6
56.03382	0.7
56.05852	1.0
63.64143	0.7
67.05489	1.3
69.03428	3.9
69.07089	0.9
79.05521	1.2
81.03401	2.3
81.07062	1.0
83.04980	100.0
84.05322	2.2
85.02888	2.3
91.05503	1.4
93.07045	1.2
95.08649	0.8
97.02885	2.8
97.27144	0.7
101.06033	2.9
105.07008	1.3
109.02889	1.2
110.57769	0.8
127.03899	2.1
167.07062	2.2
174.63155	0.8
201.09114	0.9
206.30844	0.8
211.07494	1.7
224.08261	0.8
227.09135	3.9
239.06998	1.0
245.10214	4.6
253.08641	1.6
254.05652	0.9
263.10617	1.2
265.08719	1.5
266.09793	0.9
267.06525	2.0
270.08987	1.4
271.05936	0.9
272.06784	0.9
272.62646	0.9
277.08640	0.9
280.10806	1.2
281.08044	1.6
281.11270	1.0
284.06821	1.1
285.07523	1.6
288.05969	0.9
293.08072	0.9
295.09503	1.1
295.13239	1.4
297.11099	0.9
298.08228	1.0
299.09125	2.8
303.08487	1.3
304.09238	1.4
308.10223	0.9
309.11392	1.8
313.10681	2.7
314.69394	0.9
317.10336	1.4
318.10944	1.6
323.12820	4.4
324.81888	0.9
325.10693	1.8
327.08850	1.4
331.11649	2.0
340.13214	1.3
341.13635	1.5
345.13153	1.8
355.15350	8.3
356.16019	4.1
369.13190	2.0
380.12183	0.8
387.18094	29.1
388.18283	3.4
438.19205	1.0
469.22208	17.0
470.22275	1.8
609.53461	0.9
666.34247	1.0
667.32819	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44932	0.5
53.03945	1.6
55.05514	51.2
56.05846	0.8
61.47235	0.5
63.33454	0.5
69.03431	3.7
81.03411	2.5
83.04984	100.0
84.05298	1.7
85.02908	2.9
85.58545	0.7
87.67391	0.5
97.02908	2.2
101.06047	1.5
109.02891	1.2
127.03914	2.0
139.07620	0.7
145.04964	0.6
159.08064	0.6
167.07137	0.9
196.05225	0.7
210.06653	1.0
211.07553	1.0
215.06946	0.6
225.09081	1.4
226.06232	0.7
227.09140	2.2
237.09314	0.8
238.06311	0.8
239.07040	1.8
240.07913	0.5
241.05078	0.6
245.10170	3.4
248.08435	0.6
249.09122	0.9
252.07866	0.6
253.08649	1.6
255.06502	0.8
256.07382	1.2
257.04422	0.7
263.10754	1.6
263.30521	0.6
265.08737	1.6
267.06570	1.8
267.13904	0.5
269.11801	0.7
270.08945	0.6
271.09644	0.9
277.08578	0.8
279.10248	1.0
280.10968	1.1
281.08240	2.3
281.11636	1.3
282.08792	0.8
284.06870	1.8
285.07626	2.0
285.11276	0.7
287.05774	1.0
287.09024	0.9
288.06079	0.6
289.07166	0.8
291.10220	0.9
295.10165	0.6
295.13245	3.4
297.07846	1.0
297.11337	1.4
298.08469	1.4
299.09149	3.6
300.09683	0.7
302.07870	1.2
303.08701	1.9
304.09351	2.4
308.10297	1.6
309.11163	2.1
309.14508	0.6
311.09106	0.8
312.13666	0.8
313.10696	4.1
313.14017	0.7
316.09326	0.9
317.10266	1.8
318.11185	2.9
323.12729	6.4
324.13519	1.7
325.10590	1.4
327.16049	1.0
331.11917	2.9
340.13010	1.0
341.13907	1.7
345.13342	2.0
355.15427	11.1
356.16061	3.7
357.13248	0.8
372.15729	1.2
382.84732	0.6
385.16779	1.0
387.18024	41.9
388.18192	3.1
437.19299	0.7
469.22214	16.5
470.22534	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32075	0.8
51.95117	0.8
53.03946	1.3
55.01865	1.2
55.05512	35.5
56.42830	0.9
67.05513	1.3
69.03427	6.3
69.07077	1.8
71.30562	0.9
79.05493	1.6
81.03409	3.7
81.07074	1.5
83.04981	53.6
83.08609	1.0
84.05316	1.4
85.02902	4.5
85.28275	0.9
86.09706	1.7
87.04453	1.0
89.05999	2.4
91.05467	1.2
93.07036	2.0
97.02906	3.4
101.06021	1.9
105.07012	2.1
107.08549	1.3
109.02881	1.5
109.10155	1.6
111.08098	0.8
121.06499	1.3
121.10157	1.5
127.03893	4.3
131.08591	1.0
133.08592	1.1
133.10095	1.0
137.05940	1.2
143.08551	1.0
145.04977	1.0
145.06487	1.5
159.08020	2.0
177.09048	1.6
181.08609	1.0
184.07338	5.4
187.07527	1.1
189.44891	1.1
191.10696	1.6
193.12337	1.2
205.08623	1.4
219.10083	1.0
223.88293	1.0
225.05504	1.0
226.06265	1.3
227.09172	2.9
229.08617	1.2
239.06966	1.3
239.10616	1.6
241.04858	1.4
243.06512	2.4
244.07298	1.3
245.10083	4.5
250.09853	1.0
251.10725	1.6
253.04958	2.0
253.12315	1.1
254.13068	3.2
255.06474	1.3
256.07394	2.2
257.08109	2.6
258.08844	1.2
263.10681	1.5
263.33871	1.0
265.08652	1.6
265.12244	1.6
267.06622	2.5
267.10132	1.4
268.07278	3.5
269.08136	1.2
270.08850	1.4
271.06033	1.4
271.09457	2.4
272.06854	1.3
273.07468	1.2
277.08481	1.6
278.09427	1.5
279.10217	2.0
280.10953	1.6
281.08432	1.8
281.11734	3.7
282.08917	3.4
283.06131	1.2
283.09561	1.7
284.06866	1.9
285.07513	4.5
286.08377	1.3
287.09131	3.5
288.06558	1.1
289.07068	1.1
291.09982	1.3
292.10916	1.6
293.08014	2.9
293.11255	1.5
294.08755	2.5
294.12091	1.4
295.09601	2.4
295.13235	4.4
296.14008	1.8
297.11206	1.3
298.08273	2.7
298.11688	1.1
299.09149	7.3
299.12094	1.2
300.09854	4.4
301.10648	1.1
303.08554	7.0
303.80429	0.9
304.09396	5.8
307.09665	1.4
308.10327	3.8
308.13556	1.2
309.11328	8.4
309.14703	1.8
310.08481	1.1
310.11798	1.4
312.13638	1.1
313.10641	5.8
313.14331	6.6
314.11444	4.7
315.08463	3.1
315.12195	1.3
316.09375	2.5
317.10178	5.1
318.10968	12.1
319.11795	1.8
322.11865	1.4
323.12762	13.2
324.13516	8.2
325.10611	4.5
325.14197	3.3
327.15781	1.8
330.11130	1.9
331.11621	7.0
332.12061	1.2
337.14133	4.6
338.14902	1.5
339.12222	1.2
340.12842	3.4
341.13998	5.7
345.13416	6.7
355.15372	34.6
356.16077	11.1
357.13022	1.4
358.14359	1.6
369.13681	0.9
369.17136	7.7
372.15948	1.8
387.18018	100.0
388.18463	8.2
437.19406	1.7
469.22348	12.7
469.28339	2.2
470.22839	1.6
487.30820	1.1
505.31125	2.2
520.29578	1.1
666.35107	1.7
667.35272	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4337
Annotation	PAz-PC
Peak:m/z	Relative Intensity
51.44535	0.1
55.05494	0.3
56.05042	0.5
57.03459	0.1
57.07071	0.2
57.67566	0.1
58.06623	0.4
60.08163	5.9
67.05490	0.1
70.06584	0.1
71.06979	0.2
71.07371	3.5
81.07053	0.3
83.08624	0.1
86.09705	29.7
87.10026	0.5
95.08611	0.2
97.10184	0.2
98.22535	0.2
98.98466	3.4
98.99112	0.2
104.10744	2.4
107.08600	0.1
109.06512	0.1
124.67764	0.1
125.00001	19.7
125.09708	0.1
126.00359	0.1
143.01074	0.3
172.44580	0.1
184.07339	100.0
185.07716	2.1
413.36209	0.2
496.34329	0.3
542.43207	0.1
544.99860	0.1
666.43445	4.9
667.43787	0.7
674.36371	0.1
684.24054	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.01871	3.5
55.05262	2.7
55.05507	22.0
57.03442	7.7
57.07072	4.3
62.42430	1.3
65.03963	2.3
67.05508	74.5
69.07071	23.7
71.04990	3.3
71.08636	6.2
79.05495	31.9
79.05914	2.6
81.03444	2.6
81.07059	69.5
83.04988	7.4
83.08630	14.1
85.06543	4.3
91.05486	25.8
93.07047	33.4
95.04964	8.3
95.08607	40.9
95.09229	1.6
96.07969	1.7
97.06530	7.4
97.10178	4.3
99.08103	5.8
105.07037	20.0
107.08604	22.0
109.06529	2.5
109.10166	17.0
111.08079	3.3
113.09679	1.7
117.07040	5.8
119.08590	9.8
121.06491	1.4
121.10142	11.5
123.11720	7.4
129.07005	1.8
131.08582	6.3
133.10144	12.7
135.08047	1.9
135.11659	7.3
137.09532	2.0
137.13258	3.2
139.11229	1.8
143.08597	2.6
145.10144	3.6
147.11653	7.2
149.13287	13.2
151.11244	4.5
156.41817	1.7
157.10109	1.8
159.11736	4.2
161.13216	3.5
163.11171	3.6
163.14839	2.8
170.20276	1.5
173.13205	1.9
175.11266	1.9
175.14828	2.8
177.12839	2.4
195.13832	8.1
195.59785	1.5
227.12801	2.0
229.14383	2.6
235.17596	1.4
241.19571	1.9
251.16437	2.1
259.20706	2.5
263.23843	4.1
269.17444	15.1
277.18954	1.3
277.21686	8.8
295.99530	1.6
337.27371	36.7
338.27625	3.0
351.25186	10.3
358.63962	1.7
379.84094	1.6
391.14404	1.6
408.85083	1.3
441.21082	1.7
491.37094	3.8
531.40479	100.0
532.40930	13.2
554.33685	1.8
613.48053	6.6
666.46570	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.4
55.11389	0.3
57.03431	0.5
61.02908	1.0
61.15409	0.3
61.94160	0.3
69.03432	23.8
69.43614	0.6
69.44022	1.1
71.01341	1.0
71.05001	2.0
75.45763	0.3
81.03436	0.5
83.04981	6.9
85.02907	5.4
86.46051	0.3
87.04454	0.4
92.02625	0.8
93.03402	0.8
97.02882	0.9
99.04486	0.4
100.11251	0.4
111.04430	6.6
121.02878	0.5
127.03941	0.4
129.05486	12.6
130.05792	0.3
133.02800	0.3
139.03897	0.6
145.04950	0.4
151.03976	0.8
153.01823	6.0
165.01865	0.5
189.07585	6.2
189.09189	0.5
201.05464	0.7
203.03410	0.3
217.04950	0.6
218.05786	0.5
228.04181	0.8
229.04984	2.7
231.03099	0.3
245.04463	1.0
246.05347	1.5
257.04459	1.8
273.03992	1.4
274.04675	3.9
284.03253	0.4
284.67148	0.3
285.03931	3.6
302.04205	11.1
303.04382	0.9
317.06555	100.0
318.06927	6.5
400.79483	0.3
461.27109	0.3
667.51056	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.1
57.03421	0.6
61.02909	1.5
69.03411	0.7
71.04995	11.6
73.02912	0.4
75.04486	0.7
82.41397	0.3
83.04987	6.2
85.02912	4.9
87.04462	1.2
88.88248	0.4
91.03965	0.7
92.02638	0.5
93.03395	0.7
97.02898	0.8
111.03683	0.7
111.04441	11.2
113.06017	3.8
115.03939	0.8
117.05511	2.1
121.02901	0.6
123.04457	0.4
126.03112	0.5
129.05479	15.9
137.05978	0.7
139.03867	1.0
145.04968	0.6
151.03874	0.7
153.01836	5.8
163.03970	0.5
165.01796	0.6
171.06540	4.5
187.38412	0.4
189.07590	8.7
189.09203	0.7
192.69635	0.4
201.05470	0.8
217.05002	0.6
218.05765	0.6
228.04208	1.4
229.04984	2.4
245.04468	1.3
246.05171	1.3
248.34451	0.3
248.47180	0.4
257.04333	2.2
260.03052	0.6
273.03857	1.0
274.04752	3.8
284.03250	0.5
285.03915	4.4
302.04214	10.6
303.04449	0.6
317.06555	100.0
318.06906	6.6
458.33102	0.4
574.05914	0.4
632.46564	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1863
Annotation	Isorhamnetin 3-rhamnosyl-(1->6)-(2''-acetylglucoside)
Peak:m/z	Relative Intensity
55.05511	1.3
57.03436	0.5
58.79052	0.2
61.02930	1.7
65.03896	0.3
65.46384	0.2
68.42986	0.2
68.99787	0.3
69.03428	22.4
69.65984	1.4
71.01353	0.9
71.04995	2.0
78.73313	0.2
83.04983	6.7
85.02906	4.1
87.04507	0.3
91.03942	0.7
92.02611	0.9
92.63616	0.2
93.03423	0.6
95.04986	0.3
97.02883	0.5
103.40098	0.3
111.04442	5.4
121.02865	0.9
127.03968	0.3
129.05473	10.1
130.05809	0.2
139.03897	0.7
151.03894	0.5
153.01825	5.4
154.02194	0.3
165.01756	0.4
171.06561	0.5
189.07596	6.0
201.05482	0.4
217.04933	0.6
218.05727	0.5
228.04144	1.0
229.04924	2.7
231.02814	0.4
245.04436	0.6
246.05229	1.5
257.04456	2.2
260.03226	0.4
273.03934	1.1
274.04669	3.4
284.03186	0.4
285.03940	3.5
302.04181	9.9
303.04611	0.8
317.06537	100.0
318.03412	0.5
318.06891	6.9
329.06573	0.6
359.07574	0.5
413.09073	0.3
461.10864	0.5
479.11798	0.7
678.60168	0.4
685.93921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06168	2.2
51.90084	2.1
55.05519	4.4
64.14217	2.4
67.05492	3.6
72.41785	2.6
81.07104	4.8
91.05464	2.4
93.07067	2.6
95.04976	2.7
95.08623	4.5
98.22710	11.3
98.23403	4.2
105.07043	4.6
107.08632	3.3
108.89604	2.6
109.10191	2.2
123.04327	2.2
147.11653	2.9
212.00726	2.6
301.14453	4.2
313.27325	5.2
338.12851	3.0
375.16306	2.8
377.17609	3.4
384.13486	2.9
389.17767	3.8
390.18344	2.9
391.19250	10.9
398.15079	3.7
403.19611	3.0
404.20062	3.4
405.20773	8.8
419.22629	5.6
433.20346	6.6
447.21835	5.5
461.19324	4.7
463.21646	3.8
465.22977	10.3
473.19641	4.0
479.20901	4.1
487.20969	2.9
489.19092	3.1
493.22208	36.6
494.22748	4.9
501.19412	5.8
515.21075	7.2
516.21741	3.3
521.25702	14.0
533.22308	3.8
534.21606	3.3
537.25006	6.3
547.23669	4.9
551.26477	10.5
552.27496	4.9
557.78345	2.6
565.24463	24.5
566.24976	4.4
575.22711	9.0
579.25702	18.7
580.26746	100.0
581.27612	12.1
607.25452	62.0
608.25763	6.3
635.25067	34.8
636.24768	5.2
639.28052	7.1
649.26556	10.8
666.45685	3.8
667.27600	84.8
668.27490	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3297
Annotation	strychnogucine B
Peak:m/z	Relative Intensity
53.03949	0.4
55.05508	1.3
57.03442	1.9
61.02926	4.0
65.30694	0.2
67.05504	3.3
69.03431	2.4
69.07067	0.9
69.31621	1.6
71.01361	0.7
71.04991	0.8
73.02920	2.9
79.05498	3.5
81.03421	2.7
81.07050	2.3
83.04992	0.9
83.08608	0.7
85.02904	5.0
85.06552	0.4
87.04482	0.4
91.03960	2.3
91.05486	2.3
93.07042	3.3
95.04970	1.1
95.08626	0.7
97.02888	3.5
97.06555	1.1
97.10194	0.6
99.04449	0.5
101.02357	1.3
103.03987	0.2
105.04514	0.2
105.07053	1.0
107.04984	0.4
107.08615	2.2
108.08865	0.2
109.02898	0.7
109.06496	0.4
109.10130	0.5
111.08128	0.3
111.11697	0.2
113.05983	0.3
114.70317	0.2
117.07043	0.4
119.08593	1.1
121.06496	0.3
121.10159	0.7
127.03922	1.0
129.07005	0.4
131.08591	0.5
132.40286	0.2
133.10165	0.8
135.11708	3.9
137.09686	0.3
145.04967	0.4
145.10158	0.9
147.11705	0.6
157.10130	0.5
163.11232	0.6
175.11209	0.5
181.12315	0.6
185.04257	0.5
193.12320	0.8
203.05266	0.3
221.11488	0.6
243.08391	2.1
244.58716	0.2
251.12636	0.8
255.15997	0.7
277.14093	0.4
307.15158	0.3
332.13437	0.2
378.04245	0.3
439.19360	9.7
440.19962	0.7
469.20496	4.8
469.26031	0.2
667.32959	100.0
668.33282	12.8
687.46954	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56595	1.0
53.03949	6.7
55.05513	62.7
56.05867	1.2
58.76750	0.9
66.77625	1.0
67.05515	2.0
69.34904	5.5
75.29738	0.9
79.05499	1.5
81.07047	1.1
83.04982	100.0
84.05302	1.9
91.05480	2.9
93.07034	4.3
95.04974	4.6
95.08618	1.6
98.22850	3.4
105.03392	34.8
105.04486	1.4
105.07017	1.9
107.08620	1.3
117.07014	2.2
119.08607	2.0
123.07983	1.1
129.06958	0.9
129.73096	0.8
133.10106	1.1
149.09624	1.1
152.06270	1.4
165.06995	1.2
167.08521	1.1
175.03935	1.8
177.09131	3.3
178.07669	1.1
179.08566	1.7
183.08006	0.9
189.01854	2.8
195.08116	2.8
205.06740	1.2
205.08643	4.1
207.08037	1.7
209.06029	1.7
211.03943	0.9
211.07600	1.2
213.05508	1.2
217.01300	5.5
220.59067	1.0
221.06026	1.1
223.07533	4.5
226.06371	1.3
227.03459	1.7
227.07053	3.9
228.07899	1.3
229.05051	1.5
233.05870	1.2
235.07574	4.8
236.04770	1.4
237.05513	1.6
238.06075	1.3
239.06995	5.1
243.06572	3.7
249.05450	2.1
250.06285	2.7
251.07042	6.7
253.05016	2.4
253.08607	4.1
254.09415	1.2
255.02884	1.4
257.04419	1.8
261.05508	1.5
263.07031	6.6
264.07785	3.0
265.05042	3.8
265.08304	7.2
265.10849	2.9
266.05630	7.0
266.08923	0.9
267.06555	14.5
268.07126	1.6
269.08093	1.2
270.05243	1.7
271.06015	1.6
277.03589	1.2
278.05792	1.7
279.06372	4.4
280.07098	1.9
281.04849	1.6
281.08047	25.6
282.01740	1.2
282.08853	19.1
283.09604	1.5
291.06406	6.5
292.07156	2.2
293.04556	1.8
293.08002	11.4
294.05237	3.3
295.06033	8.8
296.06546	1.3
299.09119	2.1
308.06729	1.8
309.07565	46.4
310.08200	7.5
311.08984	2.2
313.07272	1.5
313.10715	3.3
315.04984	3.1
319.06027	7.1
321.07553	1.3
323.05673	2.0
323.09183	6.3
325.03522	4.6
325.06897	1.3
325.10779	2.3
327.08658	3.2
337.07040	25.8
337.10892	1.9
338.07617	2.8
341.10052	2.9
347.05432	1.4
351.08521	9.3
353.10410	2.0
355.08102	1.5
365.06677	5.1
369.09680	68.2
370.10059	5.7
371.07675	3.6
379.08005	5.2
383.11401	1.7
397.09207	32.8
398.09579	2.3
407.22452	1.3
411.10626	3.6
415.10196	2.2
419.18423	2.1
429.11725	20.9
430.12027	1.2
433.20132	3.3
434.21317	1.8
435.21609	2.2
449.19421	2.5
511.15912	1.2
521.25116	3.2
522.22577	1.8
609.26703	3.9
636.25439	1.2
668.28149	1.6
669.29010	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.7
55.05513	91.2
56.05847	1.9
64.55171	0.5
67.05507	2.1
69.07069	0.7
71.31441	0.8
71.83685	0.6
75.04492	0.7
79.05489	1.2
81.03418	1.7
81.07074	1.1
83.04982	98.9
84.05302	2.5
91.05483	1.7
91.28977	0.5
93.07047	1.6
95.04990	2.0
95.08597	0.8
97.06561	1.4
105.03392	8.5
105.04515	0.5
105.07030	0.9
107.08580	0.9
109.06506	0.5
109.10137	0.7
117.06977	0.7
119.04971	1.1
119.08572	0.9
121.10245	0.6
125.06033	0.6
129.07014	1.0
139.03918	2.0
141.07031	0.5
145.06589	0.7
147.04445	1.2
149.09601	0.9
151.07593	0.5
152.06198	0.8
153.06993	1.1
154.07832	0.5
155.08502	1.0
157.17471	0.5
159.04474	0.5
161.02365	0.7
165.05759	0.6
165.07022	2.4
166.07729	0.6
167.08586	2.1
169.10060	0.8
173.06059	0.7
175.03925	2.4
177.05571	0.8
177.09058	0.7
178.07849	1.5
179.08591	2.7
180.05746	0.6
181.06480	1.9
182.07272	0.6
183.08092	0.9
184.05197	0.5
189.01825	5.0
189.05502	0.7
190.02496	0.6
193.06453	1.4
194.07303	0.6
195.08057	4.3
197.05940	1.0
197.09598	1.4
199.03918	1.3
205.04913	1.4
205.06548	1.5
205.08525	1.2
207.08145	3.9
208.05344	0.7
209.06032	2.4
209.09680	0.8
210.06805	1.3
211.03796	0.9
211.07617	1.7
212.04718	0.9
213.05490	1.7
215.03406	0.9
217.01311	5.5
219.07999	0.8
221.05943	1.5
222.06775	1.1
223.04037	0.6
223.07544	5.8
224.08147	0.8
225.05479	1.7
225.09132	2.0
226.06242	1.9
227.03511	2.5
227.07001	7.0
228.04143	1.6
228.07635	1.4
229.04970	1.7
233.05980	1.9
235.03935	0.7
235.07520	7.0
236.04803	0.8
236.08156	0.6
237.05449	4.3
237.09100	1.4
238.06187	2.7
239.03389	1.3
239.07050	7.1
240.07755	2.6
241.01343	0.7
241.04903	1.8
241.08582	1.9
242.05804	0.8
243.06514	5.0
247.02316	1.0
247.09686	1.7
249.05418	3.7
249.09131	0.7
250.06133	2.9
251.07027	9.9
252.04301	1.8
252.07774	1.6
253.04964	4.3
253.08601	7.3
254.05473	0.8
254.09383	1.5
255.02930	2.7
255.06392	1.2
255.10260	0.7
257.04523	2.3
257.07898	0.7
261.05466	1.0
262.06277	0.7
263.07034	7.8
264.04996	0.9
264.07663	3.5
265.05029	2.6
265.08588	10.4
265.10852	1.8
266.05740	6.2
266.08780	1.0
267.02991	1.4
267.06500	11.3
268.07227	1.5
269.00662	0.7
269.04523	1.1
269.08063	2.4
270.05270	2.4
271.06110	1.4
273.03851	1.6
277.04898	2.7
278.05695	1.6
279.06549	6.9
280.07098	2.1
281.01294	1.1
281.04581	3.5
281.08060	31.0
282.05307	1.0
282.08716	4.0
283.02338	1.0
283.06393	0.9
283.09439	3.0
284.03180	0.6
285.04068	1.2
285.07571	1.4
287.05615	1.1
289.05035	1.1
291.06461	7.9
291.09436	0.8
292.07190	2.1
293.04709	1.1
293.08035	11.4
294.05215	4.2
294.08609	1.6
295.06046	14.4
295.09335	1.0
296.06689	2.2
297.03949	1.6
297.07507	1.6
298.08386	0.8
299.05771	0.8
299.09158	3.0
307.05942	1.7
308.06985	1.9
309.07562	36.8
310.08139	6.2
311.05673	1.2
311.08975	6.2
313.03442	1.0
313.07089	2.1
313.10703	3.7
315.05057	5.0
319.06024	9.3
320.06436	1.8
321.07532	2.3
322.04620	1.1
323.05502	2.3
323.09158	6.4
324.06140	0.8
325.03519	3.8
325.07141	0.8
325.10641	9.1
326.11026	0.8
327.05002	1.0
327.08533	4.6
335.09058	0.7
336.06577	0.9
337.07043	38.7
338.07486	4.1
339.05029	1.0
341.06592	0.9
341.10220	6.9
343.04581	0.7
347.05560	1.2
351.08609	10.8
352.08957	1.3
353.10165	4.5
355.08063	3.5
365.06549	9.7
366.06674	0.7
369.09686	100.0
370.09995	7.9
371.07489	5.7
379.08145	7.6
380.08847	0.9
383.11206	1.8
397.09158	23.5
398.09393	2.3
401.12341	1.4
411.10712	3.2
415.10150	3.6
429.11868	15.2
430.12323	1.4
527.37305	3.2
547.87140	0.6
668.22223	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.05513	70.2
56.05856	1.0
56.88873	0.5
67.05525	1.0
69.07078	0.6
71.30327	0.6
79.05509	1.4
81.07039	0.9
83.04983	100.0
84.05317	1.7
91.05479	0.9
93.07037	1.2
95.04981	0.7
95.08603	0.8
96.08139	0.5
99.04455	0.8
105.03403	3.0
105.07018	0.8
107.08598	0.8
109.10153	0.6
119.04887	0.6
119.08550	1.1
129.06990	0.7
131.77225	0.5
143.08379	0.5
147.11559	0.5
147.36386	0.5
151.03917	0.5
155.08417	0.5
167.08499	0.9
171.02840	0.8
175.03932	1.3
179.08562	1.1
181.06528	1.0
189.01773	1.1
189.05463	0.7
195.08063	1.3
207.08086	0.5
209.06007	0.6
211.07559	1.3
211.11174	0.5
213.05460	1.6
223.07440	1.8
225.05405	0.6
226.06149	1.2
227.07002	1.8
233.05759	0.7
235.07500	1.8
237.05371	1.1
237.09158	0.7
238.06073	0.8
239.03366	0.9
239.07043	3.6
240.07722	1.2
241.08559	1.4
249.05397	0.9
250.06166	1.7
251.06946	3.1
252.04086	0.7
252.07675	1.0
253.04932	2.9
253.08600	5.8
254.09236	1.9
255.02806	1.0
255.10077	1.5
257.04419	0.7
261.05328	0.7
263.07010	4.0
264.07697	1.6
265.04807	0.6
265.08487	4.5
266.05701	2.0
267.06476	4.8
268.06860	0.7
269.08017	1.6
270.05161	0.7
270.08713	1.1
271.05875	1.6
275.05353	1.5
277.05035	0.8
278.05679	0.6
279.06567	2.4
280.07040	1.1
281.04950	0.8
281.08063	15.3
282.08676	3.6
283.09589	1.8
285.04288	0.5
285.07471	1.5
291.06564	3.2
292.07156	0.9
293.04791	0.6
293.08121	2.8
294.05051	1.6
295.06113	5.2
297.03992	0.5
297.07428	0.9
298.08304	0.9
299.08981	2.2
308.06580	0.6
309.03983	0.6
309.07538	9.0
310.08316	2.4
311.05725	1.1
311.09125	7.4
313.03238	0.7
313.07047	0.9
313.10690	16.3
314.11322	1.6
319.05881	2.2
323.05533	0.9
323.09009	5.9
324.09763	0.6
325.03314	1.0
325.07159	0.7
325.10681	4.0
327.08429	2.4
335.09283	0.7
336.06152	0.6
337.03391	0.7
337.07056	8.1
338.07449	1.1
340.05627	0.6
341.10175	4.6
342.07959	0.5
342.10938	5.5
347.05432	0.9
351.08627	9.2
353.10071	1.3
355.07843	3.4
355.11707	1.2
365.06628	4.3
369.09689	10.2
370.10043	0.9
371.07593	5.0
379.08041	5.7
383.10956	2.0
393.13409	5.4
397.09134	9.8
401.12259	3.8
411.10861	3.8
415.10229	4.2
429.11774	13.3
430.11612	1.5
435.54483	0.5
560.84406	0.6
668.38110	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53642	0.4
53.03948	1.7
54.26055	0.4
55.05511	59.1
56.05844	0.4
59.87091	0.4
75.04468	0.4
83.04980	100.0
84.05320	2.0
91.05457	0.5
94.54202	0.4
95.04984	0.5
95.66433	0.4
98.22448	0.7
105.03368	1.3
109.00480	0.4
126.94241	0.4
129.84409	0.4
133.02844	0.8
145.06364	0.4
152.06265	0.7
153.07043	0.6
155.08516	0.5
159.35349	0.4
165.06973	0.7
167.08478	0.6
169.09871	0.4
179.08495	0.7
181.06401	1.3
195.08009	1.5
197.05927	0.7
199.03812	0.7
207.08066	0.9
208.05103	0.5
209.06004	2.0
210.06714	0.6
213.05469	4.8
214.05936	0.4
217.01323	2.5
219.02852	1.2
220.81061	0.4
222.06670	0.5
223.07410	1.7
225.05557	0.6
225.09109	0.5
226.06171	1.1
227.03345	0.5
227.06984	2.0
228.04137	0.5
229.04726	1.2
230.11891	0.4
230.13910	0.4
235.07420	1.5
237.05510	2.2
238.06125	1.2
239.07005	4.7
240.07707	1.2
249.05600	1.9
250.06235	3.8
251.07013	3.0
252.04048	1.1
253.05055	0.7
253.08440	2.1
254.01985	0.5
255.02916	0.4
255.06398	0.7
259.06070	0.5
263.06967	1.4
264.07773	0.5
265.04883	1.1
265.08490	5.3
266.05725	4.8
266.08813	0.7
267.03702	0.9
267.06512	16.9
268.06857	1.8
269.07968	1.1
269.10776	0.6
271.05994	0.6
277.04816	1.6
279.06360	1.3
280.06860	0.5
281.08057	7.8
282.08798	2.3
283.09525	0.9
285.07520	0.6
291.06573	2.8
292.06815	0.6
293.08017	1.0
294.05054	0.9
294.08618	0.4
295.05927	3.1
296.03030	0.9
296.06253	0.5
297.03867	1.8
297.07324	1.2
298.04672	0.7
299.08969	1.4
301.06821	1.2
309.07578	7.6
310.08026	1.2
311.05362	1.6
311.08789	0.7
319.05994	0.9
323.08929	0.9
325.06879	1.1
326.07590	0.8
327.08627	16.2
328.08762	1.5
329.06482	0.9
329.09921	0.7
337.07007	2.8
341.10196	19.3
342.10440	2.6
343.11395	0.6
345.09467	0.9
351.08575	2.9
352.08936	0.6
353.10107	0.6
355.08105	7.5
356.11972	1.1
357.12692	1.4
358.13354	0.8
369.09671	12.1
370.09842	1.3
373.12836	0.6
387.10504	0.7
397.09097	5.2
399.14005	0.5
401.12061	1.6
427.13885	12.5
428.13873	1.6
429.11481	0.9
437.11926	0.7
455.12878	0.8
469.14752	0.9
497.13882	1.3
516.12976	0.4
639.61230	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23586	1.1
50.83815	1.1
55.05520	7.2
55.10458	1.4
57.03437	1.7
57.07061	4.3
60.76929	1.3
67.05492	4.2
69.03418	1.4
69.07081	1.6
69.08375	7.3
69.08781	2.9
73.35906	1.1
75.04488	3.5
81.07038	3.2
83.04983	1.6
85.06544	89.3
95.04978	2.8
98.22560	1.3
99.08093	1.2
105.03357	1.7
113.05992	9.2
127.07555	6.2
169.08675	1.6
173.08104	1.3
183.08008	1.6
187.09662	42.4
187.11276	2.7
195.07967	1.3
203.06351	1.3
211.07571	3.0
212.04552	1.3
223.07527	2.3
224.04741	1.8
224.08197	1.5
225.08961	2.7
226.06268	2.6
227.06866	1.5
235.07610	1.3
237.05479	1.9
239.07066	8.0
241.08510	3.0
243.06496	1.5
251.07059	5.4
252.07744	1.8
253.04933	5.7
253.08688	4.0
254.05751	3.2
254.09306	3.6
255.06393	1.7
255.10239	2.3
256.10767	2.9
257.04413	4.0
263.07126	1.3
264.04184	2.4
265.05029	2.6
265.08679	1.7
266.09302	1.8
267.06570	6.5
268.07303	2.6
269.04263	1.2
269.05228	1.3
269.08051	10.3
270.05121	2.3
270.08932	6.6
270.47107	1.3
271.06042	3.8
271.09464	1.2
279.06497	3.5
280.07263	4.3
281.04514	3.3
281.08044	7.0
282.05170	5.1
282.08746	5.2
283.06082	2.4
283.09567	6.6
284.03815	1.5
284.06796	8.6
284.09976	2.3
285.03961	10.4
285.07489	8.1
285.10870	3.3
286.04532	1.9
286.08105	1.5
287.09097	1.4
293.08072	3.8
294.08759	4.3
295.05936	5.3
295.09586	5.8
296.06723	3.3
296.10086	2.4
297.07523	10.9
297.10822	2.2
298.08289	6.3
298.11560	1.6
299.05444	4.3
299.09122	5.2
299.12244	1.5
300.06284	19.2
301.06830	3.7
307.09528	2.6
308.10422	2.0
309.07434	3.2
309.10995	2.3
310.08444	2.3
311.09155	14.0
311.12595	1.4
312.09894	67.5
313.06998	12.5
313.10593	19.0
315.08630	61.2
315.11829	1.9
316.09021	4.0
321.07626	1.6
323.09067	3.3
324.10056	6.7
325.07111	1.9
325.10425	6.2
326.07962	2.1
326.11420	11.4
327.08557	6.1
327.12238	6.6
328.09415	22.9
329.09988	4.6
330.10931	4.2
335.08969	3.1
336.09906	1.8
337.10483	2.7
340.09311	1.8
341.10162	10.8
342.10919	22.7
342.14755	2.0
343.11749	80.2
344.12170	8.2
345.13251	3.9
349.10703	2.9
350.11487	3.3
351.12140	2.7
353.10074	2.7
354.11008	1.9
355.11752	3.3
356.12540	2.9
357.13336	28.8
358.13574	2.2
359.11276	2.1
366.10959	2.4
367.11731	2.2
368.12491	2.6
369.13483	5.6
371.14828	3.9
381.13196	3.6
384.11969	13.5
385.12408	2.5
395.14853	1.8
396.15695	3.5
399.14380	100.0
400.14728	8.5
417.15366	17.2
427.17523	78.3
428.17999	6.9
439.17291	2.1
441.19037	4.1
465.18921	1.4
472.17441	3.3
483.20132	10.4
501.21057	3.1
529.20435	3.4
568.71521	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
54.04120	2.3
55.02795	2.1
55.05508	16.5
57.07070	5.6
67.05499	7.1
67.85061	1.8
68.37572	1.8
69.07056	4.8
70.55751	5.2
75.04478	4.8
79.05491	4.3
81.07048	7.0
83.04982	15.7
85.06544	75.4
86.06891	3.0
91.05503	3.4
93.07075	3.3
95.04983	5.0
105.03378	16.5
105.07047	3.2
106.73639	2.0
109.06523	2.2
113.06004	11.7
113.06668	1.9
119.08592	3.8
123.08087	2.1
127.07549	8.6
133.10129	2.4
139.64803	2.2
139.90665	1.8
145.10188	2.4
167.08661	2.3
169.10120	1.9
187.09639	36.6
208.12532	2.5
211.07384	2.4
223.07626	2.3
226.06271	3.9
227.06998	4.8
237.05608	3.1
238.09805	2.8
239.07022	10.2
241.08621	5.1
251.06975	3.9
253.04942	2.6
253.08542	3.0
254.05533	3.8
254.09319	3.7
255.06641	4.7
256.07098	2.5
257.04453	3.4
264.03845	2.6
264.07626	2.3
266.05905	2.8
266.08929	2.6
267.06537	10.4
268.07361	3.2
268.10904	4.0
269.08163	7.6
270.05246	2.2
270.08646	4.7
271.06012	3.2
279.06528	4.6
280.07324	3.4
281.04825	3.7
281.08060	12.0
282.05286	4.6
282.08643	7.1
283.06039	2.5
283.09576	8.4
284.06796	10.1
284.10037	3.7
285.03973	6.6
285.07553	7.2
293.08044	6.2
294.08789	9.3
295.06015	9.4
295.09641	9.1
296.06738	5.1
296.10278	4.3
297.07532	12.9
297.10602	2.5
298.08298	5.8
299.05734	3.5
299.09091	12.5
300.06192	12.4
300.09222	2.7
301.07016	5.0
301.10590	2.2
309.07571	8.1
309.10956	3.6
310.08475	4.4
311.09094	18.1
312.06427	3.1
312.09885	46.4
313.06976	14.3
313.10611	9.8
314.11472	2.7
315.08609	57.9
315.11896	2.1
316.09076	4.9
323.09131	4.1
324.09879	5.6
325.07260	3.0
325.10611	14.0
326.07874	4.0
326.11435	34.4
327.08499	16.0
327.12204	15.0
328.09332	26.7
329.10077	9.3
330.11087	4.2
337.06851	3.2
339.12280	4.3
341.10080	6.7
342.10986	38.4
343.11768	51.0
345.13449	2.7
351.12173	5.0
353.10074	4.4
355.11694	6.4
356.12451	3.1
357.13318	68.7
357.17780	3.4
359.11246	15.2
368.12622	2.7
369.09528	4.9
369.13541	4.8
371.14859	6.6
381.13193	6.7
384.11935	12.9
396.15268	3.0
399.14352	100.0
400.14642	5.6
417.15482	12.6
427.17477	44.9
428.17703	6.8
441.19055	13.4
472.17081	11.8
483.20215	12.5
484.20712	3.0
489.17569	4.0
501.21213	4.5
506.29419	2.7
529.20703	11.5
574.60333	2.2
608.95972	2.3
668.34930	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.87719	0.7
58.33365	0.8
65.03942	9.5
67.05493	1.3
69.03423	4.2
69.15704	6.3
71.90405	0.7
79.05492	5.3
80.28775	0.8
81.07056	29.5
91.05481	4.5
93.03410	2.3
93.07044	2.1
95.04969	3.4
95.08591	3.2
97.02881	3.3
97.06538	0.9
99.04464	1.4
105.07016	3.5
107.04950	1.4
107.08555	1.6
109.02845	0.7
109.06520	17.0
111.04444	2.1
113.40243	0.8
117.07029	1.8
119.08579	4.0
121.02865	100.0
121.03859	3.2
121.06516	2.3
121.10112	1.3
122.03194	1.8
123.08054	4.6
128.06190	1.3
129.06985	2.4
131.08557	3.0
133.06441	1.2
134.06082	0.8
135.08105	0.8
137.05974	47.8
141.06985	2.8
143.08546	2.7
145.06496	2.7
145.10158	2.0
147.08029	4.6
149.06027	1.3
149.09647	1.3
149.31659	0.8
151.07541	1.1
153.06987	1.2
155.08612	2.9
157.06514	2.0
157.10127	1.7
159.08064	4.2
161.06009	1.2
161.09657	2.1
165.05438	0.7
165.06978	1.6
166.07732	0.9
167.08572	2.7
168.40532	0.8
169.06479	1.1
169.10161	3.0
171.08064	3.5
173.05908	1.4
173.09615	2.7
175.07576	2.3
177.09033	1.1
178.07764	1.0
179.08600	2.2
180.09244	1.0
181.06514	1.0
181.10126	1.7
183.08083	3.0
183.11662	1.5
185.06052	2.1
185.09636	3.2
187.07538	2.6
189.09036	1.6
192.09427	1.4
193.10152	3.1
194.07361	0.9
195.08046	3.2
195.11684	1.6
196.08861	1.8
197.05913	1.0
197.09676	3.4
199.07565	2.8
199.11263	1.2
201.09093	2.6
203.06987	1.0
205.10130	2.0
206.07953	0.9
206.10928	1.8
207.08113	1.5
207.11671	1.4
208.08778	1.4
209.09656	3.1
209.13245	1.4
210.10326	1.3
211.07578	3.0
211.11211	2.7
213.09047	4.3
215.08728	1.1
215.10689	1.9
216.09544	1.0
217.08511	1.3
218.10954	1.2
220.08879	0.9
221.09579	2.4
221.13283	1.2
223.07524	1.2
223.11176	3.6
225.09068	1.2
225.12738	1.5
227.10596	1.8
230.10875	1.4
231.11777	1.1
233.09616	2.3
234.10326	2.0
235.07561	1.2
235.11180	3.3
235.14922	1.0
237.08958	3.5
237.12732	1.6
239.10643	2.7
241.08577	1.5
245.13387	1.5
247.11284	1.8
249.09123	2.3
249.12692	2.6
250.13551	0.7
251.10823	3.5
252.11383	2.6
253.12332	2.9
255.10252	1.1
257.11612	1.0
258.10217	0.9
259.11047	1.2
261.09195	1.5
261.12823	2.3
262.09949	1.3
263.11008	1.5
263.14343	3.6
264.11520	0.9
265.08453	1.1
265.12189	2.2
267.13925	1.8
269.11752	0.8
271.10962	1.0
273.12692	2.6
274.13467	1.2
274.82016	0.7
275.10593	2.1
275.14194	1.3
276.11395	1.2
277.12164	1.7
278.12994	1.4
279.10254	2.4
279.13733	3.2
280.10980	3.5
280.13986	0.9
281.11664	2.2
281.15359	2.5
289.12289	1.4
291.10547	1.1
291.13663	4.9
292.14392	1.0
293.11581	1.5
293.14978	0.9
295.13300	1.6
296.14053	1.5
297.11313	0.9
301.12122	1.6
304.11575	0.8
305.11575	1.4
305.15155	1.1
307.13266	2.7
307.16519	0.8
309.14761	3.7
319.13251	3.9
320.14258	0.9
323.16461	1.9
325.14798	1.3
333.14926	1.0
337.14365	6.9
339.12140	0.8
340.13043	1.9
341.13748	2.0
349.14206	1.3
351.15826	1.3
353.17673	1.3
355.15475	2.6
361.14270	1.2
367.15457	3.8
369.07993	0.8
369.17130	1.4
371.16373	1.8
375.15729	1.2
379.15408	3.3
389.17303	3.9
391.19250	1.4
393.17038	2.7
397.16452	10.8
398.16870	1.1
399.15933	2.6
407.18430	4.3
415.18176	1.0
417.16983	13.4
418.17252	1.5
431.18439	1.3
433.20108	3.4
435.18021	48.2
436.18195	6.1
441.17206	1.0
449.19455	2.1
451.21249	9.4
453.19067	33.6
454.19342	3.8
459.18045	3.7
467.20441	1.9
469.22095	1.5
471.20126	3.0
477.19067	13.8
495.20126	28.2
496.20316	2.8
506.38138	0.9
513.21173	13.3
514.21411	1.2
573.21039	2.6
615.21704	1.3
633.23187	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85345	2.2
55.05520	4.7
67.05500	9.7
69.03434	8.5
69.07069	3.6
71.04987	3.0
71.31346	4.3
73.02930	5.0
79.05505	3.5
81.03427	6.5
81.07055	6.5
83.04988	11.0
83.08617	5.3
91.05478	8.3
93.07064	12.7
95.04949	4.2
95.08616	10.9
97.02910	10.3
97.06539	5.3
105.07055	10.4
107.08595	8.7
109.06526	20.1
109.10149	11.3
111.08101	3.1
115.03913	5.4
117.07005	5.8
119.08559	13.9
121.06494	6.5
121.10163	8.6
123.08066	9.1
125.05958	2.9
129.06999	5.3
131.08594	7.6
133.06572	3.0
133.10153	7.1
135.08112	3.5
135.11682	3.0
137.06049	11.7
137.09650	5.7
139.07578	2.6
141.06982	3.5
142.07785	4.2
143.08537	12.2
145.06488	2.3
145.10124	14.3
147.08075	5.4
147.11719	7.2
149.09595	3.5
151.03937	3.0
155.08562	9.0
156.09297	3.5
157.10109	12.1
159.08087	4.1
159.11745	11.3
161.09618	6.4
165.09160	6.7
167.08577	7.7
169.08778	3.0
169.10110	11.0
171.11713	10.8
173.09665	7.0
173.11745	4.0
173.13293	6.4
175.11150	6.0
176.78865	2.8
177.09068	2.5
179.08618	4.7
180.09340	5.4
181.10141	10.9
183.10309	2.5
183.11745	10.5
185.09622	2.9
185.13237	8.0
187.11165	5.4
189.09160	6.3
192.09383	4.1
193.10054	5.3
194.10767	4.9
195.11729	12.1
197.09642	5.3
197.13272	8.9
199.11238	5.1
199.14859	2.8
201.09163	2.7
201.12740	3.5
205.10135	3.0
207.11716	6.7
208.12411	2.5
209.13274	13.2
211.11288	4.8
211.14833	6.3
213.12750	5.1
214.37514	2.9
217.10155	3.5
219.11685	6.1
221.13190	12.5
223.11261	3.0
223.14778	9.5
224.04785	2.1
225.12750	4.8
227.14244	3.0
229.14403	10.6
233.09517	2.8
233.13333	5.1
235.14790	13.0
236.15465	2.8
237.12782	6.8
237.16379	9.3
245.13271	8.4
246.14066	3.5
247.14842	7.8
249.16472	3.0
251.14545	3.3
251.17944	5.4
253.15785	5.7
259.14944	3.5
260.15698	3.0
263.14426	11.2
265.15979	7.8
265.19531	9.8
267.15915	6.0
275.17929	15.3
279.13821	2.7
281.15604	5.3
281.19049	6.7
283.20270	2.7
293.15668	4.6
293.18997	73.3
293.22147	5.2
294.19272	5.6
295.16861	2.7
305.15607	3.6
305.18958	2.5
307.17001	2.6
307.20520	3.2
309.22131	4.6
311.20047	26.7
325.18112	6.4
335.19888	11.4
343.16647	2.8
351.19705	3.9
353.21063	37.9
354.21490	5.3
371.22220	30.5
407.22104	4.8
413.23428	5.9
421.25980	11.9
425.23279	9.3
443.24286	3.2
453.22763	57.4
454.22659	2.7
469.25894	2.9
471.23804	100.0
472.24258	14.2
489.24966	7.6
494.37912	2.6
495.23737	10.4
513.24805	51.5
514.25214	7.2
529.28180	2.6
531.18433	4.2
531.25879	70.1
532.26019	6.3
573.27057	16.7
583.19427	2.8
591.27942	5.7
633.28546	2.9
669.22833	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
55.01873	2.1
55.05516	10.2
57.03439	15.6
57.07095	1.4
57.11279	1.1
59.04995	4.5
61.02921	1.6
61.24843	1.4
65.03932	1.8
67.05506	79.4
69.03415	2.1
69.07069	4.0
69.24650	1.9
69.25053	6.5
71.04984	4.2
73.02927	1.5
76.79276	1.1
79.05492	9.7
81.03416	53.2
81.07058	17.2
83.04987	9.8
83.08620	16.7
85.02895	3.1
85.06548	3.4
90.88154	1.1
91.05480	15.6
93.07043	10.1
95.04967	18.1
95.08589	10.1
97.02886	2.5
97.06532	2.0
97.10167	2.9
105.07037	9.3
107.04983	2.7
107.08605	5.0
109.06502	3.7
109.10159	76.3
110.10483	1.4
111.08083	9.0
117.07023	1.6
117.87211	1.2
119.08578	15.0
121.06460	1.9
121.10148	4.3
123.08028	1.9
125.09620	1.8
129.06999	5.4
131.08627	7.1
133.06502	1.5
133.10124	5.4
135.11659	2.1
137.09639	5.1
142.07773	1.9
143.08565	1.2
145.10036	1.6
147.08072	3.3
147.11693	6.0
149.09662	3.9
155.10646	5.5
157.10123	10.5
159.11647	1.9
163.11087	2.1
173.11758	18.6
175.09866	1.2
175.11122	6.7
193.12236	20.1
205.12178	1.3
229.14343	100.0
230.14687	3.8
267.15915	94.8
268.16177	5.9
301.14362	2.1
329.21005	1.5
339.28763	4.0
389.15747	5.9
403.24814	9.9
421.25833	98.1
422.26141	8.8
452.98999	1.3
463.27026	2.3
610.48193	1.4
668.33527	4.9
669.24738	2.7
669.36713	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
53.56758	2.5
55.05283	3.0
55.05515	18.9
55.65842	2.4
56.05061	2.4
57.03423	2.6
57.07074	7.2
59.61069	2.5
65.03909	2.8
65.43321	2.2
67.05505	20.2
69.03449	2.9
69.07077	14.0
71.04987	3.2
71.08617	5.2
79.05487	21.9
81.03428	3.9
81.07058	100.0
82.06584	2.7
83.04991	4.7
83.08624	10.7
85.42857	2.4
91.05487	19.1
93.07053	28.4
94.06570	5.9
95.04968	4.8
95.07359	7.4
95.08604	47.5
96.08127	3.4
96.22705	2.8
97.06532	3.7
97.10180	6.0
98.22625	5.1
99.04480	4.9
100.09332	2.3
101.06047	3.0
103.43644	2.3
105.07034	18.5
107.08598	24.9
108.96485	2.6
109.06491	3.1
109.10154	20.2
111.08096	7.6
112.86353	3.1
117.07053	4.1
119.08578	22.6
121.10136	17.4
123.08085	6.9
123.11720	6.2
128.69754	2.5
129.07057	3.0
131.08571	12.1
133.10124	23.4
135.08083	4.6
135.11661	13.0
137.13287	11.6
139.07695	2.8
142.48531	2.9
143.08600	7.6
145.10112	17.4
147.11694	11.1
149.09648	5.8
149.13243	3.9
157.10147	10.7
159.08130	3.8
159.11716	17.6
161.09648	6.0
161.13286	7.3
163.11165	4.1
169.10139	4.8
171.11647	7.5
173.09717	3.6
173.13293	9.1
175.11148	6.8
175.14871	5.9
183.11742	4.6
185.13223	5.4
187.11153	4.3
187.14842	7.8
189.16484	3.3
195.11668	3.4
197.13274	4.2
199.14732	5.5
201.12781	3.8
201.16440	5.1
209.13306	4.9
211.14926	5.6
213.12827	3.3
213.16426	3.7
215.14410	3.2
217.16188	5.0
219.13956	3.5
219.17371	3.3
223.14977	3.2
225.12968	3.0
225.16212	3.1
226.14571	2.9
227.14557	3.2
229.15994	3.3
231.13826	2.9
231.17500	3.5
233.15500	6.1
233.22757	3.6
235.16980	3.8
245.22765	3.4
247.16911	3.3
249.18552	5.4
251.65086	2.9
262.25348	47.9
267.39130	2.8
275.20023	7.2
284.22226	2.7
291.21085	3.1
297.17065	3.2
310.22345	3.2
311.23734	5.2
325.42792	3.0
327.23157	4.0
329.24423	2.7
341.26929	6.7
346.39038	3.3
351.23160	3.1
387.25540	3.7
409.30997	29.4
433.31018	24.0
451.32062	60.3
452.32291	5.9
469.33105	39.4
488.44543	7.7
490.46234	4.2
501.83908	3.2
506.45718	3.1
532.39960	8.2
608.18353	3.1
617.09387	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.7
69.29042	9.6
79.05482	2.0
83.04974	2.2
83.48566	1.2
91.05463	1.8
95.04939	1.6
95.08594	2.4
104.43248	1.5
105.03384	6.1
105.07001	1.5
115.88716	1.5
152.06259	1.9
153.07021	1.9
154.07788	1.9
165.07054	3.5
171.31798	1.4
182.07169	3.1
183.08052	1.5
193.06396	2.1
194.07181	1.9
195.08051	4.0
197.09706	1.5
198.06781	2.4
205.06573	2.2
207.08023	3.3
208.05238	2.0
209.05931	3.4
210.06750	5.3
211.07477	4.7
213.09084	2.9
221.05978	8.1
222.06711	3.1
223.07579	9.3
224.08258	2.9
225.05455	4.0
225.09062	12.1
226.06218	3.8
227.06963	3.3
227.10582	1.7
228.07980	1.4
233.06009	2.5
234.06802	5.0
235.07520	8.9
236.04649	3.3
236.08232	2.7
237.05508	8.1
237.09151	2.2
238.06247	11.8
239.07047	7.9
239.10510	1.8
240.04219	7.6
240.07765	2.4
241.04881	2.2
241.08586	2.8
242.05737	3.2
242.09404	2.6
249.05408	3.5
250.06213	4.2
251.07027	32.7
252.07803	16.2
253.04970	3.1
253.08583	33.0
254.05725	6.1
254.08875	3.3
255.06526	8.7
255.10182	2.6
256.07312	3.8
257.08029	3.4
263.06885	4.0
264.04025	1.5
264.07648	2.2
265.04895	4.5
265.08615	4.9
266.05792	11.6
266.08411	2.1
267.06512	12.7
267.10129	6.0
267.87219	1.8
268.04092	2.1
268.07281	6.0
269.08026	5.3
270.05307	3.5
270.08694	3.4
271.06082	2.8
271.09714	3.2
278.05801	2.7
279.06528	25.5
280.07208	12.7
281.04761	3.3
281.08057	71.7
282.05548	3.4
282.08691	10.6
283.06323	11.0
283.09280	10.8
284.06882	2.3
285.04266	1.7
285.07559	6.5
285.10849	3.0
286.04849	8.1
287.05481	1.9
291.06442	1.8
293.08002	4.7
295.06042	6.6
295.09625	11.1
296.06754	6.9
296.10013	2.7
297.07529	12.7
297.11267	5.5
298.08292	14.2
299.05539	6.0
299.08850	2.9
300.06134	2.3
301.07025	19.5
307.09671	2.1
309.07611	19.7
309.10971	2.6
310.08218	6.9
311.09113	53.4
312.06320	2.1
312.09625	8.9
313.07043	14.6
313.10703	38.9
314.07834	5.9
314.11121	2.2
315.08713	7.0
323.09207	9.4
324.09875	4.1
325.10538	6.8
326.07901	3.7
327.08563	8.1
327.12402	4.7
328.09378	43.9
329.09790	5.4
335.09357	1.5
336.09735	1.9
337.07074	2.3
337.10626	2.3
340.09216	1.7
341.10190	100.0
342.10703	9.5
343.11749	89.1
344.12079	6.3
345.09473	7.2
352.09338	1.8
353.10178	9.0
355.07727	3.2
355.11688	24.3
357.13293	3.4
367.11740	42.6
367.16391	2.4
368.12247	2.6
385.12805	39.9
670.34399	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.6
51.02374	1.4
53.03711	0.5
53.03947	7.1
53.61892	0.4
54.22019	0.3
70.92403	0.6
70.92751	0.5
73.06551	0.7
75.04483	1.1
77.03917	1.3
81.03413	1.3
81.07101	0.4
83.76184	0.4
91.05434	0.4
95.04975	7.2
105.03390	100.0
105.04532	4.1
106.03691	2.7
133.92961	0.5
155.07010	0.7
160.51355	0.4
227.07036	2.1
227.11009	0.4
235.07576	0.7
237.09132	0.5
238.06244	0.7
239.06950	0.5
248.08345	1.0
249.09183	0.5
251.06998	0.8
252.07776	0.5
253.01471	0.8
253.08678	0.6
262.10153	0.5
263.07074	1.2
263.10611	1.1
264.07755	0.6
265.05069	1.0
265.08649	1.2
266.05725	2.9
267.03119	0.5
267.06396	1.3
268.03558	1.0
268.07281	0.5
276.07880	0.6
277.08487	0.7
278.09186	0.8
279.06494	1.1
279.10175	1.6
280.07101	0.7
281.08081	4.1
283.09656	0.8
289.08606	0.9
290.09189	0.7
291.06500	1.1
291.10150	1.6
292.10825	0.5
293.08017	1.2
294.05252	0.9
294.08557	0.4
295.06232	0.7
295.09708	1.2
295.13101	0.8
297.07419	0.4
298.04636	0.5
305.08057	1.1
306.08817	2.3
307.09644	1.1
308.10352	0.9
309.07602	3.0
309.10989	0.7
310.08353	3.5
311.05511	4.2
311.09171	1.4
313.07120	1.1
319.06134	0.6
321.11166	3.5
322.11917	0.9
323.09201	0.9
323.12744	1.6
325.07159	1.1
325.10779	0.7
335.09238	0.8
337.10834	0.7
338.11429	1.0
339.08487	0.5
341.10156	8.1
342.10529	0.8
349.10587	1.0
350.11606	1.0
351.08371	0.7
351.12286	1.4
353.09506	0.8
353.13809	14.6
354.14209	1.2
366.11243	0.5
366.92612	0.5
369.09515	0.6
369.13422	4.1
381.13306	15.6
382.13611	1.8
443.15225	0.5
475.17377	1.5
503.16895	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.7
53.03915	0.4
53.68723	0.4
55.01867	0.5
57.03425	1.2
57.32249	0.4
61.02920	0.5
69.03429	2.0
69.64537	1.2
69.64945	0.7
73.02907	2.6
77.03925	0.7
79.05492	2.3
81.03407	0.8
85.02905	2.9
91.05472	1.6
95.04939	0.7
97.02906	3.0
103.03926	0.6
103.05470	3.5
105.03374	0.9
105.07034	4.4
107.04969	1.0
115.03910	1.6
115.05435	1.1
117.06984	0.6
119.04928	1.3
121.06514	2.9
127.03905	0.7
128.06224	0.7
128.46512	0.3
129.06989	1.4
131.04924	13.4
133.06488	25.6
134.06804	1.0
135.04408	100.0
136.04733	2.7
136.41397	0.4
137.05972	1.0
143.04912	0.5
143.08548	1.7
145.05046	0.7
145.06461	2.8
149.05966	9.4
149.07082	0.7
153.06989	0.4
157.06464	2.1
159.04378	0.6
161.05972	21.6
162.06230	0.6
163.06126	0.7
163.07533	1.5
171.08041	2.1
173.05983	3.6
175.07541	1.3
185.05931	1.8
186.06664	0.9
187.07556	5.1
197.00006	0.4
201.09108	4.2
205.08568	2.2
219.10086	0.8
220.08781	0.4
235.11154	0.9
248.58231	0.4
263.10699	2.1
271.47150	0.4
293.08505	0.9
293.11685	11.1
294.11993	1.3
308.10355	1.5
323.12750	58.9
324.13092	4.8
341.13824	16.3
342.14075	1.4
541.41248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01871	1.2
55.05503	0.7
57.03439	0.9
65.03954	0.7
67.05506	2.1
69.03436	0.8
71.01347	0.2
71.29064	0.5
72.32736	0.3
73.02926	0.6
77.03925	0.4
79.05060	0.5
79.05493	5.4
80.05835	0.2
81.03405	1.9
81.07045	1.2
83.03828	0.2
83.04954	0.3
83.08618	0.8
85.02914	0.8
91.05473	5.4
93.07054	1.0
95.04980	2.7
95.08607	1.2
97.02892	1.0
103.05468	3.7
105.04505	0.4
105.07033	3.3
107.04954	83.0
107.08582	1.3
108.05274	1.7
109.10161	1.3
110.10509	0.6
111.04446	0.4
114.76390	0.3
115.03960	0.3
115.05447	5.5
117.07010	3.0
119.04919	0.6
119.08589	0.6
120.05753	0.8
121.06507	1.3
121.10126	0.4
128.06207	0.5
129.06970	0.3
131.04932	0.6
131.08505	0.4
133.06525	0.7
133.10107	0.4
135.08055	7.4
137.05989	0.7
143.08557	1.4
145.06482	1.1
145.07628	2.0
145.10124	0.4
145.81516	0.3
146.07233	2.9
147.04337	0.4
147.08072	2.1
147.11684	0.5
151.07585	1.7
160.08806	0.4
161.09636	2.7
162.06775	1.2
163.07538	100.0
164.07890	3.6
165.09114	1.7
171.08038	1.4
175.07516	2.4
175.11182	0.8
177.09111	2.2
178.09888	20.8
179.10342	0.8
188.08315	1.4
193.08553	0.7
193.12247	0.7
202.74007	0.3
203.10670	29.4
204.11011	1.2
217.12186	0.3
227.12737	0.4
229.14330	1.2
230.14624	0.7
267.15942	1.0
268.16263	0.7
269.16595	0.3
281.15427	0.3
309.14719	0.9
341.17474	14.8
342.17929	1.4
360.98624	0.3
421.25943	0.5
422.26172	0.7
423.26184	0.8
442.21262	0.3
459.27377	0.7
477.28485	0.8
670.34882	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40761	0.6
69.41167	1.0
98.23363	0.5
103.19956	0.2
107.04987	0.3
133.01309	0.2
163.07608	0.5
237.06558	0.3
301.10651	1.7
329.87973	0.2
372.15671	0.5
377.13565	0.3
379.11526	1.0
380.12509	0.3
393.13211	0.5
394.14023	0.6
395.14648	0.7
411.14059	0.3
420.57394	0.3
421.42242	0.3
451.17654	0.5
463.17294	0.7
479.16852	0.9
491.20325	0.3
493.18246	2.1
494.19434	0.6
495.19293	0.3
509.21460	5.3
510.22046	0.6
543.18323	0.3
551.22552	0.3
557.19757	2.8
569.13373	0.3
589.22034	0.3
625.23279	0.4
671.26666	100.0
672.27039	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.5
67.05520	2.6
71.30077	3.2
79.05516	2.8
81.07045	3.9
91.05461	2.8
93.07056	5.2
95.08611	3.2
98.22832	2.1
101.53191	2.3
105.07066	2.8
107.08543	2.8
120.08083	2.2
120.50328	2.3
130.97623	2.3
132.08102	2.5
145.78569	2.4
161.09709	2.7
171.09196	4.5
172.07552	2.7
175.35376	2.0
213.06638	3.8
232.37900	2.3
233.10701	3.4
235.11542	2.1
237.10349	4.7
243.11281	10.5
245.10794	2.7
247.12314	2.9
249.09598	1.9
249.13721	2.1
251.11819	3.9
261.10220	2.7
262.11108	2.4
263.11688	3.9
265.08749	3.8
272.11768	2.5
275.11642	5.4
277.08984	3.0
280.10922	3.5
284.06732	2.1
288.12289	2.9
289.13391	3.8
290.13647	2.1
291.11295	3.0
295.13300	6.9
302.12994	2.6
305.12531	2.4
307.14282	4.2
309.11212	3.4
321.15900	3.2
323.12985	9.2
324.13528	4.1
325.10641	2.8
328.14490	3.2
330.12357	2.3
332.13892	6.5
333.14658	6.3
334.40302	2.5
346.15555	3.7
355.15378	45.2
365.17712	3.0
377.18069	2.5
379.15463	3.9
387.17841	6.5
393.17044	4.5
394.17929	3.0
395.18561	4.4
397.17685	3.4
405.16855	7.6
407.18484	5.4
408.18967	2.6
409.20163	4.7
417.17102	5.1
419.18704	4.0
421.20508	4.6
431.18979	4.8
435.17514	4.7
436.18921	5.6
437.19659	17.3
438.20428	6.0
447.17880	3.5
448.18997	3.3
449.19647	12.8
450.20361	9.3
451.21298	10.6
453.22855	5.7
461.19461	4.3
463.20993	6.9
464.21652	9.5
468.17920	6.0
475.21115	16.7
476.21582	2.9
477.18945	6.9
479.20340	2.9
480.21579	2.9
481.22217	5.5
491.20776	14.3
492.21295	4.5
493.21976	7.1
497.14990	6.5
497.25735	5.1
503.20981	2.9
507.20154	8.6
508.24295	3.4
509.11096	3.6
509.21445	15.4
510.22482	6.2
519.20258	4.9
522.22693	36.6
523.23297	26.3
524.13123	2.9
524.24048	22.5
525.24780	16.0
533.21826	4.4
536.24316	3.8
539.26129	2.6
540.27106	7.7
549.24664	3.4
551.22729	41.9
552.23468	13.3
565.20111	2.9
567.25769	8.9
579.22131	6.4
589.24103	3.7
595.25092	8.2
597.23132	6.9
609.27045	6.9
611.25366	100.0
612.25861	16.3
621.23499	3.7
627.28040	37.2
628.28448	4.8
639.24432	85.2
640.24597	14.8
671.19891	3.8
671.30347	53.2
671.39648	2.7
672.19562	2.6
672.30475	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.5
55.01878	9.0
55.05271	3.0
55.05515	37.1
57.03446	12.3
59.05013	2.9
61.02932	2.4
65.03946	2.4
67.05505	44.3
68.05843	1.8
69.03427	12.4
69.07063	10.5
71.04996	11.5
75.86246	1.6
79.05492	53.7
79.99408	1.6
80.03250	1.7
80.54033	1.8
81.03418	61.2
81.07059	42.5
83.04984	16.3
83.08621	28.7
85.02915	8.5
85.06544	3.9
91.05483	37.0
93.07053	38.0
95.04971	30.9
95.08610	18.8
97.02882	8.5
97.06557	8.4
97.10170	31.6
105.07034	27.9
107.04958	30.5
107.08595	25.6
109.02875	5.7
109.06510	18.6
109.10154	16.0
111.04456	7.1
111.08079	8.1
115.05471	3.5
117.07016	15.8
119.04955	2.5
119.08579	24.4
121.06497	18.3
121.10152	17.5
123.04404	9.1
123.08068	9.4
123.11713	2.8
125.05956	2.5
125.09629	33.6
127.03932	4.6
128.06253	2.7
129.05449	1.9
129.06999	14.4
131.04912	4.2
131.08575	24.5
133.06483	8.5
133.10158	16.0
135.04382	2.4
135.08057	11.5
135.11697	3.3
137.05959	3.2
137.09634	2.8
139.11192	2.2
141.06995	4.9
142.07753	2.2
143.08553	9.9
145.04868	1.7
145.06488	11.8
145.10115	12.5
147.04411	4.3
147.08070	8.9
147.11685	12.8
149.06013	2.0
149.09662	9.6
151.03935	5.7
151.07558	3.3
153.07080	2.2
153.09108	5.7
153.12799	1.8
155.08556	5.8
157.06532	3.3
157.10121	11.7
159.08066	5.9
159.11702	4.5
161.05983	5.2
161.09633	4.7
163.11188	6.6
165.09102	8.4
165.12831	2.5
167.10716	3.1
169.10225	3.8
171.08035	3.9
171.11719	5.5
173.04477	4.8
173.09573	3.8
173.11783	2.0
173.13228	3.4
175.07570	2.1
175.11188	9.7
177.12805	2.2
181.12318	1.7
183.08070	1.9
185.09654	3.8
185.13177	2.5
187.11234	4.7
187.14844	2.2
189.05446	4.0
189.09224	2.7
189.11215	10.9
189.12738	2.9
190.11464	1.9
191.06966	2.0
191.10831	1.9
191.14307	2.5
193.12236	21.2
195.11688	4.3
197.09694	2.0
197.13257	3.8
199.11160	5.3
199.13200	2.2
205.08572	2.6
205.12180	3.8
205.15817	1.9
209.13339	2.4
211.11386	2.8
211.13222	12.9
213.12737	3.9
215.14386	3.8
217.12283	2.2
219.13795	6.0
223.13202	3.1
225.14934	2.6
227.12630	10.6
229.08501	2.0
229.14336	4.1
231.13799	1.8
233.15366	8.9
235.13261	3.6
237.12752	4.2
237.14845	2.1
241.14297	2.2
243.13884	2.8
249.14885	4.4
255.13803	4.0
257.11649	2.5
259.13312	4.5
267.15924	31.1
271.17123	1.7
273.14609	9.8
285.16998	4.0
293.17535	3.8
301.14331	3.4
339.19418	7.2
339.23355	4.1
349.21548	10.4
357.24301	3.4
367.22687	31.1
368.23227	2.2
385.18994	3.2
385.23691	44.6
386.24039	3.7
403.24814	16.4
404.25220	2.1
405.24225	4.5
410.92575	1.9
426.55682	2.1
441.26532	12.2
459.27393	100.0
460.27618	10.8
477.28445	84.5
478.28580	9.3
491.30191	18.1
500.07880	1.8
501.28445	2.1
509.30972	7.3
543.57410	1.8
585.30304	3.1
603.32092	2.1
621.32324	5.8
671.33643	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.5
55.01878	9.0
55.05271	3.0
55.05515	37.1
57.03446	12.3
59.05013	2.9
61.02932	2.4
65.03946	2.4
67.05505	44.3
68.05843	1.8
69.03427	12.4
69.07063	10.5
71.04996	11.5
75.86246	1.6
79.05492	53.7
79.99408	1.6
80.03250	1.7
80.54033	1.8
81.03418	61.2
81.07059	42.5
83.04984	16.3
83.08621	28.7
85.02915	8.5
85.06544	3.9
91.05483	37.0
93.07053	38.0
95.04971	30.9
95.08610	18.8
97.02882	8.5
97.06557	8.4
97.10170	31.6
105.07034	27.9
107.04958	30.5
107.08595	25.6
109.02875	5.7
109.06510	18.6
109.10154	16.0
111.04456	7.1
111.08079	8.1
115.05471	3.5
117.07016	15.8
119.04955	2.5
119.08579	24.4
121.06497	18.3
121.10152	17.5
123.04404	9.1
123.08068	9.4
123.11713	2.8
125.05956	2.5
125.09629	33.6
127.03932	4.6
128.06253	2.7
129.05449	1.9
129.06999	14.4
131.04912	4.2
131.08575	24.5
133.06483	8.5
133.10158	16.0
135.04382	2.4
135.08057	11.5
135.11697	3.3
137.05959	3.2
137.09634	2.8
139.11192	2.2
141.06995	4.9
142.07753	2.2
143.08553	9.9
145.04868	1.7
145.06488	11.8
145.10115	12.5
147.04411	4.3
147.08070	8.9
147.11685	12.8
149.06013	2.0
149.09662	9.6
151.03935	5.7
151.07558	3.3
153.07080	2.2
153.09108	5.7
153.12799	1.8
155.08556	5.8
157.06532	3.3
157.10121	11.7
159.08066	5.9
159.11702	4.5
161.05983	5.2
161.09633	4.7
163.11188	6.6
165.09102	8.4
165.12831	2.5
167.10716	3.1
169.10225	3.8
171.08035	3.9
171.11719	5.5
173.04477	4.8
173.09573	3.8
173.11783	2.0
173.13228	3.4
175.07570	2.1
175.11188	9.7
177.12805	2.2
181.12318	1.7
183.08070	1.9
185.09654	3.8
185.13177	2.5
187.11234	4.7
187.14844	2.2
189.05446	4.0
189.09224	2.7
189.11215	10.9
189.12738	2.9
190.11464	1.9
191.06966	2.0
191.10831	1.9
191.14307	2.5
193.12236	21.2
195.11688	4.3
197.09694	2.0
197.13257	3.8
199.11160	5.3
199.13200	2.2
205.08572	2.6
205.12180	3.8
205.15817	1.9
209.13339	2.4
211.11386	2.8
211.13222	12.9
213.12737	3.9
215.14386	3.8
217.12283	2.2
219.13795	6.0
223.13202	3.1
225.14934	2.6
227.12630	10.6
229.08501	2.0
229.14336	4.1
231.13799	1.8
233.15366	8.9
235.13261	3.6
237.12752	4.2
237.14845	2.1
241.14297	2.2
243.13884	2.8
249.14885	4.4
255.13803	4.0
257.11649	2.5
259.13312	4.5
267.15924	31.1
271.17123	1.7
273.14609	9.8
285.16998	4.0
293.17535	3.8
301.14331	3.4
339.19418	7.2
339.23355	4.1
349.21548	10.4
357.24301	3.4
367.22687	31.1
368.23227	2.2
385.18994	3.2
385.23691	44.6
386.24039	3.7
403.24814	16.4
404.25220	2.1
405.24225	4.5
410.92575	1.9
426.55682	2.1
441.26532	12.2
459.27393	100.0
460.27618	10.8
477.28445	84.5
478.28580	9.3
491.30191	18.1
500.07880	1.8
501.28445	2.1
509.30972	7.3
543.57410	1.8
585.30304	3.1
603.32092	2.1
621.32324	5.8
671.33643	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.5
57.69194	0.4
67.05490	0.8
69.12052	0.4
69.12836	3.7
69.13171	0.7
81.07069	0.9
93.07056	0.6
95.04976	0.5
95.08656	1.1
98.22593	0.9
107.08621	0.7
185.04221	9.3
347.84811	0.5
491.31284	14.1
492.31818	1.4
509.32352	30.0
510.32599	3.8
527.31750	1.0
609.37408	0.8
653.36578	33.0
654.36945	4.7
671.37634	100.0
672.37952	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
54.75256	0.5
55.05512	61.5
56.05836	0.8
57.07060	0.6
65.27611	0.5
67.05513	1.5
69.07082	0.8
69.19971	3.6
79.05501	1.7
81.07068	2.8
83.04980	100.0
84.05318	1.5
91.05467	1.2
93.07040	1.1
95.08598	2.4
99.02702	0.8
105.07041	2.1
107.08595	1.9
109.10175	1.3
119.08613	1.4
121.10151	1.3
123.08109	0.7
123.11721	0.9
133.10118	1.4
145.10158	0.8
147.11722	1.4
149.13297	1.0
157.10127	0.5
159.11758	0.6
161.13264	1.2
167.07039	1.2
173.13321	0.7
175.01515	0.7
201.16379	0.6
203.17928	4.3
265.08896	0.6
269.07986	0.8
277.08551	0.6
278.09268	0.6
279.10196	1.0
285.07590	0.6
293.11807	0.9
294.12570	0.6
295.09790	0.7
307.09616	0.8
310.11954	1.0
311.12836	0.8
321.11081	1.3
323.12976	0.8
325.10904	0.6
325.14432	1.7
326.15149	0.7
339.12250	2.1
339.16135	0.8
353.13934	1.6
354.14429	1.5
367.15335	0.6
370.14145	0.8
385.16440	17.7
386.16785	1.2
397.16547	0.6
465.23190	0.7
467.20639	23.6
468.20862	2.6
495.23920	0.6
501.26846	0.5
520.28082	2.5
525.29553	0.6
546.29822	0.6
557.32458	5.5
558.33185	1.2
572.34961	1.4
573.48834	1.4
587.34027	1.4
588.34454	5.8
589.35193	13.2
590.35492	2.0
602.32275	1.4
656.36407	0.9
671.39349	23.7
672.39972	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.9
59.08222	0.4
61.02913	0.4
69.03425	1.7
69.03934	4.1
69.57495	0.4
73.02921	2.5
79.05486	0.8
85.02910	4.7
91.05486	3.9
94.04185	0.5
95.04964	1.0
97.02856	2.6
103.05453	6.9
105.07056	0.5
107.04939	1.4
109.06523	0.9
111.47381	0.4
115.03911	0.8
115.05418	1.1
117.07016	2.4
119.04963	2.5
121.06474	1.7
122.03652	1.3
123.08075	0.7
127.03902	0.5
128.06233	0.6
129.06984	2.0
131.04926	19.0
131.63478	0.4
132.05267	0.5
134.07260	0.6
135.08046	1.1
136.05159	0.6
137.05972	34.0
138.06293	1.0
143.08525	1.1
145.06456	1.5
146.03622	0.6
147.08032	0.7
149.05997	2.7
151.03973	0.5
151.07536	21.2
152.07893	0.9
157.06470	2.4
161.05988	4.0
161.09602	0.6
162.06750	1.3
163.07536	51.7
164.07956	2.3
165.07028	0.7
165.09109	0.7
167.08549	1.4
174.06691	0.8
175.07545	5.3
177.09102	100.0
178.09439	4.2
179.08582	0.5
181.10208	0.6
187.07484	0.5
189.09074	5.8
193.10135	1.1
195.08040	2.9
195.10161	3.9
203.10683	0.9
207.08186	0.7
207.10150	0.9
209.09564	0.5
210.06815	0.7
219.10187	1.3
221.05949	1.7
221.09671	1.6
221.11707	25.2
222.12070	1.4
223.07550	1.3
224.08258	0.8
225.08971	0.9
227.10622	5.3
233.09586	0.5
237.08992	0.9
249.09096	1.3
253.08621	2.3
253.12204	2.5
254.09373	0.5
255.10132	6.0
265.08411	0.9
267.10046	1.5
269.08099	1.2
272.10428	0.7
279.09998	0.6
281.11658	1.1
283.09009	0.5
285.11142	4.0
287.12753	8.6
288.13254	0.6
297.11285	0.6
298.11978	0.5
299.12787	2.0
311.12613	1.6
313.14325	8.1
322.37350	0.5
325.14603	0.5
327.15692	0.6
331.15378	46.3
332.15689	3.8
343.15356	7.1
344.15826	0.8
345.16879	0.5
613.19360	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.1
57.03436	3.1
57.07078	34.3
59.69339	0.9
61.02926	12.1
67.05511	7.5
69.03429	1.4
69.05119	9.2
69.07073	7.7
71.08631	26.0
73.02924	4.8
75.04481	2.0
79.05513	0.9
81.07059	15.0
83.08616	10.4
85.02904	16.1
85.10181	18.6
85.10658	0.8
91.03952	14.1
95.05016	0.9
95.08613	21.6
97.02896	8.3
97.10173	3.8
98.22640	2.5
99.04491	1.1
99.11741	1.2
102.12225	0.9
109.10159	10.7
111.11707	1.3
123.11710	4.5
127.03914	4.1
137.13249	2.0
139.17657	0.9
145.04951	7.2
151.14819	1.1
156.46167	1.0
163.06038	13.1
165.16493	1.0
202.55045	1.0
208.42140	1.0
221.22615	1.9
225.56963	0.9
239.23688	26.0
240.23972	1.7
257.24808	3.9
265.08701	1.2
270.05939	1.2
313.27353	100.0
314.27811	8.1
318.37360	1.0
325.11008	1.0
331.28424	33.1
332.28842	2.2
349.53561	1.0
545.85150	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64526	0.9
55.05281	1.3
55.05516	6.7
57.03444	3.2
57.06794	2.1
57.07076	36.8
61.02932	11.4
67.05511	8.6
69.03430	1.3
69.07079	6.3
71.08633	28.2
71.30339	1.5
73.02920	4.2
75.04488	1.8
75.10521	0.9
81.07055	13.4
83.04987	2.6
83.08617	8.6
85.02902	12.5
85.10181	14.5
91.03963	10.6
93.07064	1.2
95.08606	20.0
97.02899	6.1
97.10151	5.3
99.11740	1.2
109.10160	10.4
111.11678	1.2
115.02902	0.9
115.03890	1.2
123.11739	4.3
127.03921	3.4
137.13272	1.5
141.37714	0.9
145.04968	5.5
163.05980	8.0
238.41255	0.9
239.23685	24.5
240.24066	1.4
257.24719	4.7
313.27350	100.0
314.27695	7.9
331.28421	26.2
331.32504	1.0
332.28784	2.3
475.32596	2.5
503.93726	0.9
530.88007	1.0
672.39130	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
53.19931	1.2
55.05516	7.2
56.30067	1.3
57.07076	3.3
64.23103	1.7
64.64983	1.3
65.03941	2.1
67.05180	2.0
67.05509	17.7
69.03432	4.4
69.07068	9.7
71.04997	1.6
71.08647	2.4
79.05495	14.9
81.03423	4.5
81.07059	100.0
82.07383	2.6
83.04992	5.9
83.08614	5.1
86.09719	7.7
91.05478	12.1
93.07040	20.7
95.04971	5.5
95.08607	42.1
97.06551	3.7
97.10176	1.9
98.22546	3.2
99.04479	2.3
105.07037	14.2
107.04952	2.1
107.08599	26.9
109.06515	18.0
109.10154	21.8
111.04438	2.2
111.08084	6.2
116.15071	1.3
117.07038	3.0
119.08562	14.2
121.06504	3.0
121.10140	18.0
123.08081	3.2
123.11703	7.0
129.07037	3.4
131.08559	10.5
133.08572	1.6
133.10150	14.7
135.08057	4.2
135.11673	11.9
137.05956	7.0
137.09625	2.4
137.13252	17.6
139.07501	7.0
142.07727	3.1
143.08568	7.1
145.10126	17.1
146.98181	4.6
147.08047	3.7
147.11676	9.0
149.09616	2.7
149.13283	5.1
155.07043	11.4
155.08549	2.6
155.10664	2.4
156.09320	2.2
157.08939	1.8
157.10075	10.1
159.08067	3.4
159.11656	13.6
161.09639	5.5
161.13287	7.2
163.11169	4.1
163.14841	2.5
165.09114	2.2
169.10156	3.7
171.11688	8.0
173.09648	4.1
173.13237	8.1
175.11214	2.9
175.14815	4.6
177.09106	2.3
177.12788	2.1
181.10185	1.8
183.10182	1.7
183.11723	5.3
185.13272	6.4
187.11139	2.2
187.14848	6.4
189.16455	3.4
191.10800	1.8
193.81474	1.5
195.11771	2.8
197.13301	5.6
199.11229	2.5
199.14848	5.7
201.12781	2.6
201.16422	5.2
203.14354	2.5
207.11797	2.0
209.13318	2.9
211.14845	4.5
213.12779	3.4
213.16402	3.9
215.14449	3.6
215.17946	2.5
217.19493	1.8
219.13824	2.2
223.15015	1.5
225.12682	2.2
225.16394	3.2
227.14450	2.9
227.18027	2.7
231.13757	2.4
233.15387	1.9
237.14639	7.1
241.19553	1.7
245.15454	5.1
247.17049	1.9
251.16388	3.4
259.17038	1.8
261.18665	1.7
275.16321	2.1
281.22684	2.3
283.21085	1.6
283.24097	2.9
287.19962	2.4
289.21786	2.1
314.34436	1.8
329.24820	5.0
343.22736	11.3
345.24246	14.2
347.25821	10.9
355.15308	7.0
369.24316	1.9
371.02383	1.7
379.26385	2.2
393.27734	2.0
401.28436	2.0
419.29477	12.0
420.29953	1.8
437.30499	13.5
438.31067	2.1
447.29044	4.7
455.31436	3.9
465.29910	18.6
466.30466	1.9
483.30972	30.9
484.31116	5.1
489.35492	11.9
490.35849	1.8
501.31671	3.1
531.40680	2.5
613.34790	14.0
614.35327	2.3
672.30908	4.2
672.42023	4.9
673.43140	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01868	1.5
55.05506	9.0
57.03444	2.2
57.07073	2.3
58.94174	1.3
60.39226	1.4
67.05500	17.0
69.03423	3.4
69.07063	10.4
69.16813	9.2
71.04998	1.9
74.89627	1.3
79.05495	19.0
81.03407	3.2
81.07056	100.0
83.04993	7.4
83.08612	5.9
85.06505	2.3
86.97980	1.3
91.05468	11.4
93.07044	19.7
95.04981	4.8
95.08042	3.0
95.08608	36.2
97.06531	3.4
98.22543	2.9
99.04485	1.8
101.05959	1.5
105.07041	16.0
107.08593	23.0
107.90250	1.4
109.02888	2.8
109.06522	26.1
109.10158	19.3
111.04462	5.0
111.08089	4.7
113.05970	2.1
117.07018	3.6
119.08569	17.5
121.06441	2.3
121.10136	15.2
123.08066	2.3
123.11695	6.0
127.07578	2.3
129.05707	1.6
129.07007	3.9
131.08580	10.3
133.10143	13.1
135.08043	3.3
135.11693	10.0
137.05969	7.4
137.09631	3.4
137.13252	19.7
139.07530	5.0
141.06987	1.9
143.08574	5.9
144.09361	2.0
145.06445	1.7
145.10130	16.6
147.08029	5.8
147.11667	10.3
149.09584	2.9
149.13295	2.9
151.11266	1.8
154.15913	1.6
155.07037	15.3
155.08360	2.6
155.10588	1.4
156.09349	2.2
157.10126	11.8
159.08041	2.0
159.11681	13.2
161.09650	5.0
161.13245	8.1
163.07533	1.9
163.11224	4.9
163.14796	2.3
169.08775	1.9
169.10152	5.1
171.11710	9.5
173.09642	3.2
173.13255	11.0
175.11162	2.0
175.14899	4.8
177.09209	2.9
179.10652	2.2
181.10144	3.4
183.11717	6.0
184.07318	3.0
185.13226	8.7
187.11110	1.9
187.14783	8.1
189.12772	3.2
189.16342	2.7
191.10670	2.8
195.11700	2.6
196.12520	1.5
197.13309	4.2
199.14801	5.0
201.12738	3.2
201.16431	3.4
203.14261	2.5
203.18040	2.1
205.12218	2.2
209.13307	2.8
211.14832	3.9
213.16385	3.4
215.14308	2.2
215.17833	2.9
217.12323	2.0
219.13846	1.7
221.15411	1.7
223.14902	3.7
225.16377	2.9
227.14374	2.2
227.17928	2.1
229.19507	1.7
233.15347	3.0
237.14893	4.9
239.18051	2.2
241.19537	2.0
243.13814	3.3
247.16866	3.3
251.46817	1.5
253.15878	1.6
257.15442	1.8
257.18954	1.7
259.17059	2.7
269.19119	2.9
273.18536	2.1
275.16534	1.7
287.19980	2.5
311.23624	2.9
325.21588	2.0
327.22952	2.4
329.21063	2.5
329.24680	16.0
338.17419	1.6
343.22668	8.7
345.24338	8.3
347.25912	7.3
355.15393	5.5
386.16290	1.5
405.24146	2.4
419.29419	7.0
420.29697	2.3
429.27670	3.1
437.30377	11.6
447.29050	9.5
455.31595	2.2
465.30014	25.1
466.30423	4.1
483.31039	37.5
484.31024	4.4
501.32132	3.3
523.23083	3.3
524.23547	2.1
600.65997	1.7
612.25226	7.2
640.24542	6.4
672.31598	7.4
672.41040	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.5
57.07078	28.8
67.05506	1.8
69.07077	3.9
71.08633	29.3
71.44848	0.9
72.08965	1.0
73.06556	10.2
79.02118	0.9
81.07041	2.8
83.04954	1.2
83.08611	3.3
85.10184	18.9
87.04472	8.4
89.06030	100.0
90.06358	1.4
91.05474	1.1
93.07042	1.5
95.04990	1.3
95.08600	1.9
96.14322	0.9
97.10174	4.4
99.02637	1.0
99.11746	2.7
105.07013	1.1
107.07076	2.7
107.08588	1.3
109.10166	1.2
109.32275	0.8
111.11706	2.9
113.13260	2.4
117.09118	7.3
125.13236	1.4
127.14825	1.6
130.08652	1.7
131.07060	3.0
131.08638	1.0
133.08603	54.5
134.08971	1.8
135.10161	1.2
145.10118	1.1
159.11751	1.3
161.11684	1.0
175.09662	1.0
177.11232	23.0
178.11613	1.0
197.22682	2.0
201.16435	1.1
221.13882	3.4
229.44067	1.4
241.25307	1.8
265.16318	1.2
281.08035	1.0
283.17493	2.1
285.27890	3.9
318.85794	0.9
329.30551	3.3
343.11673	1.7
353.21832	1.3
376.88177	1.0
397.35437	1.2
425.00391	1.1
457.69870	1.0
459.27673	2.9
467.37195	1.1
505.18420	1.7
508.38959	1.0
655.49310	3.0
672.52197	1.4
673.25537	1.9
679.81421	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	16.9
57.07079	23.8
67.05502	34.5
69.07063	13.3
69.12054	7.2
69.12458	19.1
71.04975	8.0
71.08638	20.2
79.05506	20.8
81.07049	37.3
83.04950	3.5
83.08617	14.4
85.10175	9.6
89.06041	6.3
91.05489	15.5
93.07052	21.3
95.08616	26.3
97.06546	5.2
97.10152	9.7
97.97487	3.3
98.23218	11.3
105.07043	14.6
107.03935	3.1
107.08611	17.8
109.10155	17.8
111.08083	3.2
117.07005	5.9
119.08559	7.5
121.10176	14.5
123.11705	8.5
125.09622	9.1
131.08557	7.6
133.08638	4.0
133.10156	10.2
135.11670	4.2
145.10077	3.5
149.09581	4.7
149.13245	6.4
157.10147	3.6
159.11662	6.1
161.69479	3.1
173.13286	4.3
180.77631	2.9
193.59935	3.3
227.12819	10.1
229.14407	4.1
257.18979	5.2
275.20081	11.8
313.27368	22.4
349.23685	7.5
395.35156	3.8
467.37299	3.2
507.40451	100.0
508.40643	11.3
587.46710	6.4
587.88440	3.3
619.49432	5.9
672.48212	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.5
53.03930	1.1
55.05512	11.7
55.97401	0.5
67.05512	3.0
69.03391	0.6
69.07055	1.0
69.84620	0.5
71.04967	0.6
71.30634	0.9
79.05457	2.2
81.03389	0.7
81.07057	4.3
83.04980	10.6
83.08610	0.9
85.06496	0.5
86.09300	0.5
86.09697	4.4
89.27332	0.4
91.05474	3.0
93.07043	2.8
95.04964	0.7
95.08576	2.0
97.06518	1.0
97.37518	0.4
98.23024	0.5
98.98438	0.8
100.36046	0.5
105.07039	2.9
105.50224	0.5
107.04942	1.0
107.08569	1.5
109.10117	1.4
111.04414	0.7
117.06976	1.4
119.08552	1.4
121.10145	0.8
123.08068	0.5
125.00013	2.8
127.00030	0.7
131.08508	1.0
133.06438	0.6
133.10104	1.0
135.11682	0.5
143.08510	0.6
145.10083	2.0
147.07970	0.7
147.11639	1.0
152.06181	0.6
153.06963	1.0
155.08614	0.5
159.08095	0.5
159.11726	0.7
161.09506	0.8
165.06970	2.0
166.07751	1.4
167.08582	1.2
169.10078	0.8
178.07765	2.0
179.08559	6.6
180.09073	0.7
181.06543	0.8
181.10049	1.3
184.05719	0.8
184.07355	14.1
185.07678	1.2
190.34106	0.5
194.07286	0.6
199.11235	0.5
205.06560	0.7
207.08046	15.5
208.08565	1.5
209.05968	1.2
209.09602	2.3
213.05443	3.2
217.01329	1.0
219.06424	0.6
220.05168	1.2
221.05945	1.6
222.06741	2.5
223.07552	1.6
225.05548	1.0
225.09167	1.1
226.06219	1.5
227.07082	2.5
232.06863	0.6
235.07527	10.6
235.09941	0.7
236.04597	0.7
236.08189	1.2
237.05490	1.8
237.09048	2.3
238.06067	0.5
239.03215	0.8
239.06985	3.5
240.07663	1.2
249.05482	4.8
250.06232	15.0
251.06985	6.7
252.07695	3.5
253.04948	1.8
253.08513	1.6
254.09131	0.5
263.06982	3.5
264.07742	0.6
265.08597	78.0
266.05902	1.5
266.09094	7.7
267.06500	4.2
267.09985	2.1
269.08047	1.2
275.20181	1.0
278.05737	1.4
279.06458	1.5
281.04446	4.1
281.08063	3.0
282.08865	1.5
283.09625	1.6
291.06558	1.1
293.08066	13.8
294.08310	1.2
295.06015	2.5
295.09674	1.8
296.06836	2.1
297.11295	1.2
299.09286	1.0
309.07648	1.9
310.08313	1.5
313.10965	0.7
325.10696	42.0
326.11002	3.0
327.08484	0.7
337.07135	1.3
347.08975	5.2
351.08420	0.7
355.15405	1.4
356.15625	1.0
369.09708	2.9
387.17966	0.7
408.08423	0.6
429.11777	0.7
447.14163	11.3
448.14554	0.7
451.09976	8.1
452.10223	1.3
551.15253	100.0
552.15601	9.8
552.23883	0.7
641.19446	0.6
655.42151	1.0
672.40448	0.8
673.20490	1.1
673.42297	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.9
53.03947	3.7
54.49208	0.8
55.05514	87.6
56.05844	1.4
57.03407	1.4
67.05498	4.0
69.03417	4.7
69.07059	1.4
71.04981	1.7
71.30413	1.0
79.05499	8.4
81.03432	1.5
81.07059	23.9
83.04983	100.0
84.05318	2.1
85.02908	0.8
91.05480	8.4
93.07049	5.5
95.04979	9.0
95.08604	6.1
97.02898	5.1
97.06533	2.8
99.04471	5.1
103.05466	1.3
105.07037	6.4
106.13284	0.8
107.04958	2.5
107.08581	4.6
109.02917	0.9
109.06521	15.5
111.04423	2.3
115.05443	2.1
116.06244	1.0
117.07034	2.9
118.11025	0.8
119.04944	1.0
119.08571	5.4
121.06515	3.6
121.10175	1.4
123.04445	1.1
123.08076	6.3
125.05970	1.7
125.09564	1.0
127.04030	0.8
128.06230	3.0
128.81343	0.9
129.07007	5.4
131.04907	1.5
131.08553	4.4
133.06468	4.3
133.10089	1.1
135.04451	1.2
135.08060	3.7
137.05981	31.2
137.07043	1.6
137.09657	0.9
138.06250	0.9
139.07527	0.8
141.06998	3.5
142.07785	1.7
143.08546	4.9
145.06476	10.7
145.10155	2.6
147.08057	6.6
149.06061	2.2
149.09604	1.3
151.07596	2.4
153.05493	4.6
153.06987	1.8
153.09085	1.9
154.07726	2.0
155.08559	7.2
157.06502	3.2
157.10159	3.3
158.07257	1.7
159.04398	1.5
159.08055	7.6
161.06029	2.0
161.09631	2.0
163.07562	2.6
165.06996	4.3
165.09134	0.9
166.07823	1.4
167.07314	1.0
167.08524	4.5
169.06512	4.1
169.10144	3.6
170.07181	1.5
171.08040	10.0
173.05922	1.1
173.09593	4.1
175.07571	3.4
178.07828	2.9
179.08511	5.0
180.09328	1.3
181.06493	3.2
181.10152	3.6
182.07297	1.1
182.10982	1.1
183.08069	11.5
183.11630	1.7
184.08797	4.0
185.06047	2.0
185.09590	6.2
187.07590	3.5
189.07161	0.9
189.09093	2.1
191.08562	2.9
192.09377	3.6
193.08632	1.6
193.10168	7.5
194.07262	2.1
194.10866	1.0
195.08080	8.5
195.11760	3.5
196.08763	2.3
197.06006	1.3
197.09573	8.5
197.13049	0.9
198.10233	1.0
199.07549	4.1
199.11250	2.6
201.09109	3.6
202.07806	2.4
203.08568	5.6
204.09407	4.4
205.10121	6.7
206.10953	2.3
207.08029	3.8
207.11737	4.7
208.08812	3.3
209.06015	1.0
209.09648	7.8
209.13240	2.4
210.10281	2.2
211.07512	4.1
211.11180	3.6
212.08252	1.2
213.09111	3.4
215.08568	3.7
215.10631	1.2
216.09415	1.9
217.10214	4.4
218.10945	1.9
219.08112	4.4
219.11710	6.1
220.08842	3.6
221.09634	9.6
221.13216	2.4
222.10394	3.2
223.07526	1.3
223.11174	6.3
225.09125	3.0
225.12733	3.1
226.09793	1.0
227.10733	1.7
228.09373	1.5
229.10172	4.4
230.10959	2.3
231.08096	1.2
231.11713	4.5
232.08849	3.9
232.12479	2.6
233.09645	8.5
233.13268	3.4
234.10365	3.1
235.07503	2.5
235.11180	9.7
235.14906	1.1
236.11850	2.5
237.09088	5.3
237.12723	6.6
238.09828	1.0
239.08601	1.3
239.10724	3.1
240.11232	1.0
242.10954	3.6
243.09927	1.1
244.08801	1.4
244.12596	1.0
245.09659	6.0
245.13297	2.4
246.10342	4.9
247.07622	1.0
247.11201	8.6
247.14796	2.5
248.08394	1.6
248.11858	2.8
249.09164	4.2
249.12828	7.6
250.09897	1.5
250.13583	2.2
251.10692	4.3
251.14331	2.7
253.08447	1.2
253.12311	3.5
253.15543	0.9
254.13054	1.2
255.13853	1.3
257.09619	2.4
257.13565	1.8
258.10361	2.0
259.11203	6.7
259.14880	1.8
260.11929	4.3
261.09177	2.3
261.12772	5.7
262.09915	0.9
262.13596	1.8
263.10641	8.4
263.14334	5.0
264.11438	1.9
265.12332	5.4
265.15930	3.4
266.12967	1.8
267.10263	3.1
267.13892	1.7
269.09491	1.1
269.11990	1.0
270.10345	2.7
271.11169	2.0
272.11981	1.8
273.09137	0.8
273.12805	4.9
274.09851	0.9
274.13516	2.2
275.10767	3.6
275.14307	9.2
276.11722	1.0
276.14981	1.5
277.12296	7.1
277.15948	3.0
279.10144	1.8
279.13788	3.5
281.08835	1.3
281.11804	6.1
281.14981	1.0
283.10889	1.2
283.13538	1.7
284.12115	1.9
285.09497	1.0
285.12970	6.0
287.11017	1.1
287.14398	5.9
289.12216	2.9
289.15866	1.5
291.13907	4.3
293.11829	3.3
293.15421	5.1
294.15854	1.5
295.09839	1.2
295.13297	3.1
295.16873	1.2
297.11292	1.7
299.12653	4.8
300.11618	1.1
301.12192	2.6
303.10422	1.8
303.13724	9.2
304.83603	0.9
305.12070	1.2
305.15366	2.3
307.13367	3.2
307.16937	2.2
309.11435	1.8
309.14786	2.3
311.16776	1.1
315.13779	3.4
317.15295	1.5
319.13226	1.7
321.11346	1.7
321.14761	4.0
323.16135	2.0
331.13135	1.9
333.14877	4.8
335.12894	1.0
335.16464	2.5
337.14206	1.4
339.12332	1.2
343.13437	1.2
345.14896	1.3
346.14517	0.9
347.12689	1.1
351.15860	2.2
353.13791	1.1
355.16650	1.2
357.13596	2.4
361.14273	2.5
361.18237	1.0
367.16086	1.2
369.16776	1.3
373.18021	3.6
375.15936	1.1
377.17719	1.7
379.15323	2.7
383.16522	1.3
385.17908	3.0
389.17505	2.9
391.19229	4.7
392.19046	1.2
397.16544	9.4
398.16696	1.5
399.15982	1.1
401.17535	21.4
402.18027	6.4
403.19427	4.7
407.18851	1.2
409.16010	1.3
413.17404	4.3
414.17441	1.2
415.18747	3.3
417.17004	2.7
419.18561	36.8
420.19061	8.1
421.20221	5.8
423.17169	1.3
431.18591	8.9
433.20273	5.7
435.18179	1.1
437.19684	19.1
438.20184	4.0
439.21396	1.1
441.16898	2.4
449.19614	13.7
451.21442	1.5
459.17978	6.0
467.20703	18.0
468.20966	2.2
477.19092	11.9
477.28589	1.8
478.19241	1.6
479.20801	1.4
495.20139	25.0
496.20480	3.0
497.21738	1.8
512.20166	1.5
513.21259	5.1
519.23914	1.3
527.22375	1.0
549.24982	1.8
595.25226	3.8
612.87555	0.9
673.28253	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	6.5
63.02303	5.8
69.27927	43.7
72.67042	7.0
76.51888	6.2
79.05491	7.3
81.07059	15.8
82.93856	5.6
89.06027	9.7
91.05434	5.7
93.07067	7.6
95.08597	7.6
105.03376	11.4
105.07057	6.1
129.58017	6.4
133.08586	8.0
135.11681	6.4
137.05949	7.1
145.10086	8.3
159.09212	7.9
163.07613	8.7
173.09628	10.1
205.12263	25.4
224.13142	6.0
225.13803	9.6
237.13947	16.9
238.14774	14.2
239.15237	6.5
249.13901	6.5
259.07443	6.1
379.19568	9.0
421.20078	7.3
423.21722	10.2
448.18350	12.6
466.18845	8.4
477.22205	8.8
480.21414	13.0
527.25928	8.6
554.25543	7.0
569.27454	18.2
594.24573	15.0
595.25464	94.3
596.25488	16.9
605.23755	10.5
609.27057	65.5
610.27496	13.6
611.28107	17.1
612.27216	13.5
613.26331	12.0
629.29767	100.0
630.29968	10.5
637.26453	19.6
655.27246	17.9
673.28815	60.3
673.39026	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29644	1.6
55.05513	2.6
58.99588	19.7
59.05006	1.6
60.91492	1.5
65.38662	1.9
67.05492	4.0
69.03423	10.2
70.06588	1.8
70.65149	4.4
73.01159	1.8
76.02223	61.6
76.04003	2.3
79.05509	6.7
81.07076	6.2
83.04967	1.6
86.99062	5.2
88.02228	4.9
91.05470	12.0
93.07027	10.8
95.04974	5.6
95.08612	5.0
96.28011	1.6
97.06554	2.4
105.07028	20.2
107.04941	2.9
107.08617	8.4
109.06555	3.6
109.10181	2.3
111.04446	1.7
115.05516	2.0
116.01676	25.6
117.07037	8.4
119.04945	1.8
119.08599	11.9
121.06526	5.8
121.10171	3.5
123.04439	4.8
128.06248	4.6
128.07120	1.7
129.06989	8.0
130.77107	1.6
131.04736	1.7
131.08577	14.3
133.06479	3.6
133.10121	13.4
135.08083	7.4
137.05971	1.9
139.03871	3.9
141.07027	2.2
142.07788	4.2
143.08557	18.9
144.01158	12.8
144.09314	2.4
145.06525	3.0
145.10110	18.5
147.08070	4.6
147.11719	4.9
149.09656	4.0
153.07137	2.3
154.07863	2.2
155.08556	12.7
156.09421	2.1
157.10138	18.4
159.08025	12.9
159.11635	12.1
161.05940	2.1
161.09602	20.4
162.02185	36.3
163.11218	2.5
165.07129	4.7
166.07730	2.7
167.08589	6.7
168.09358	2.2
169.10143	15.6
170.11003	1.9
171.07990	8.7
171.11703	8.3
172.08774	2.1
173.09596	15.6
173.13307	5.7
175.07635	3.0
175.11212	15.4
177.09116	3.7
177.12766	3.0
179.04846	44.6
179.08562	3.7
180.09192	1.9
181.10089	9.6
182.11034	4.0
183.08165	4.3
183.11679	8.1
185.09555	14.2
185.13304	4.4
187.07458	4.1
187.11198	13.8
189.09189	3.0
189.12788	6.2
191.14415	4.0
192.09363	5.3
193.10133	6.8
194.10881	3.4
195.06494	2.4
195.08139	3.6
195.11746	7.6
196.08780	2.4
197.09679	6.1
197.13303	11.3
199.11160	11.9
201.09192	3.6
201.12717	8.7
203.10742	4.8
205.08598	3.0
206.11014	3.0
207.11708	20.7
209.09691	5.3
209.13255	10.9
210.10480	3.5
211.11246	7.5
211.14877	3.4
213.12724	10.5
215.10815	4.4
215.14377	4.2
217.10347	1.7
217.12344	3.0
219.11739	4.0
219.13672	2.7
221.13319	5.9
222.10539	1.9
223.11183	14.2
223.14818	2.1
225.12753	27.2
225.14867	2.5
226.13087	2.4
227.14363	3.3
229.10222	1.9
229.12247	2.6
235.11266	6.1
237.12843	12.6
239.10776	4.3
239.14322	9.1
241.12288	11.4
243.11743	3.7
243.13889	8.4
245.13330	2.9
249.12811	2.2
251.14264	2.6
253.12309	5.5
255.13927	5.0
257.04532	3.8
258.13931	2.0
259.15039	2.6
261.14893	4.8
263.14508	2.4
265.12216	1.8
267.14111	2.4
275.14523	4.0
285.12988	2.3
285.15982	2.4
287.14465	2.8
299.14288	2.1
301.15805	2.5
303.14035	2.2
305.15558	2.7
311.17911	2.4
325.15891	1.8
327.17529	2.9
380.21689	3.1
381.22327	3.2
395.24030	2.9
399.23428	8.4
413.24628	8.3
415.26663	5.0
417.24384	5.1
423.23099	9.0
431.25842	8.9
433.27533	7.5
435.25800	9.9
441.24173	31.1
442.24692	4.2
449.26849	14.5
451.28220	14.7
452.28799	2.7
457.24036	2.3
459.25284	44.8
459.31393	2.5
460.25879	6.3
473.21698	7.7
475.31036	2.4
477.26334	100.0
478.26593	13.1
491.22919	10.6
495.27368	30.4
496.27997	2.2
509.23853	2.3
552.27795	3.1
637.29608	2.3
655.30432	38.6
656.30609	8.4
673.31635	73.3
674.32452	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.0
55.01869	1.1
55.05503	4.5
58.99589	3.3
65.03939	0.9
67.05502	6.4
69.03429	2.4
69.06016	6.9
69.06432	2.3
69.07064	1.7
72.67648	0.9
76.02226	9.4
79.05503	5.5
81.07056	6.2
83.04984	11.4
91.05486	9.6
93.07033	11.3
94.07374	1.0
95.04962	3.5
95.08611	12.1
97.06540	2.3
104.53986	1.1
105.07025	9.8
106.81813	0.9
107.04952	1.8
107.08602	6.9
109.06501	1.4
109.10175	2.4
111.04439	8.6
111.08073	6.2
115.05453	2.2
116.01664	4.9
117.07035	6.0
119.08584	11.6
121.06525	3.4
121.10160	3.8
123.04387	1.7
123.08041	2.9
123.11732	2.0
128.06204	2.7
129.07039	7.9
130.07745	1.9
131.04973	1.1
131.08574	9.5
133.06503	2.2
133.10146	8.4
134.10413	1.2
135.08043	2.7
135.11676	1.9
137.05956	2.1
139.03886	1.8
139.07527	3.6
141.07002	3.7
142.07744	3.8
143.08577	7.1
144.01149	1.7
144.09286	1.8
145.06288	2.3
145.10124	14.1
147.08076	2.3
147.11687	3.3
149.09616	1.3
151.07501	2.8
153.06975	2.4
154.07884	1.2
155.08546	12.3
156.09378	2.0
157.06560	1.4
157.10124	9.9
159.08086	2.9
159.11681	6.1
161.06003	1.1
161.09610	2.5
162.02217	4.5
163.11111	1.2
165.06999	3.5
167.08545	4.0
168.09338	2.9
169.10080	9.7
171.08046	3.2
171.11667	9.1
173.09616	14.1
175.11163	3.8
177.09137	1.5
178.07561	1.1
179.04854	4.4
179.08525	4.0
180.09259	2.0
181.04909	1.0
181.10118	6.3
182.10883	1.8
183.08150	1.7
183.11734	5.5
185.09621	4.1
185.13182	2.4
187.05832	1.3
187.11179	6.9
189.12834	1.3
191.08527	3.5
191.10649	1.8
192.09315	3.5
193.10132	8.7
194.10869	3.5
195.08116	1.9
195.11699	9.5
196.12401	1.2
197.09543	5.5
197.13289	4.8
199.07536	1.0
199.11082	4.9
199.14833	1.9
200.12024	1.0
201.09044	1.3
201.12753	4.4
203.08577	1.5
204.09331	1.3
205.10069	3.8
205.12141	1.6
206.10876	4.2
207.11678	9.8
207.38380	1.1
208.12248	1.4
209.09663	1.4
209.13176	6.1
210.10353	1.3
211.11140	3.0
211.14969	1.6
213.09145	1.7
213.12796	5.1
213.14603	1.4
215.08728	1.9
215.10666	4.8
215.14247	1.3
217.10110	3.8
218.10841	3.2
219.11743	7.5
220.08842	1.1
220.12373	2.5
221.09738	2.0
221.13243	14.6
223.11237	4.8
223.14798	7.8
224.11797	1.1
225.12741	3.0
227.14261	1.8
229.10153	3.2
230.10863	3.8
231.11699	5.6
232.12469	4.0
233.13313	7.9
234.10590	1.1
234.13774	1.2
235.11189	3.1
235.14847	3.8
237.12759	2.6
239.10684	1.8
239.14284	2.7
241.12219	5.5
242.10811	1.6
243.11617	6.0
244.12401	4.8
245.04454	1.5
245.13225	7.6
245.15431	1.2
246.14023	3.0
247.14804	7.7
249.12700	3.3
249.16388	1.8
251.14316	1.8
255.11658	2.5
256.12515	3.3
257.13135	5.2
258.13922	5.2
259.14948	10.8
260.12039	1.2
260.15436	2.9
261.12741	3.5
261.16397	6.9
263.14288	3.1
263.18118	1.5
265.12231	2.4
267.13806	3.4
268.12354	1.4
269.13226	2.5
270.14029	3.4
271.11429	1.1
271.14661	5.7
272.15567	3.0
273.13464	1.0
273.16360	6.8
274.16992	3.2
275.14255	2.8
275.17899	7.5
276.18668	1.7
277.15833	2.7
277.19275	1.7
279.13748	1.7
279.17178	1.2
283.14804	3.0
284.15466	2.1
285.13300	1.3
285.16296	5.5
286.17102	2.5
287.05524	1.5
287.14255	2.3
287.17896	5.3
289.16028	2.0
289.19446	2.6
291.17450	1.3
297.16324	1.8
299.14883	1.2
299.18008	4.2
300.14954	1.3
300.18570	2.0
301.16336	1.8
301.19501	4.6
302.16656	1.5
303.17355	1.7
303.20963	2.5
305.15482	2.5
309.16150	1.1
313.19354	1.4
314.20435	1.3
315.20853	1.7
316.21716	2.5
317.15417	1.6
317.18890	2.0
317.22379	1.2
319.16812	3.3
319.20432	1.3
327.17310	2.5
329.18997	2.3
331.17029	1.6
333.18350	1.3
345.18457	7.2
346.19019	1.5
347.20087	3.6
359.20004	2.0
360.20706	2.5
381.22250	1.7
395.23874	2.4
399.23349	5.5
413.24637	9.0
415.21384	1.2
415.26404	13.9
416.26675	1.3
417.24210	3.9
418.24457	1.0
423.23236	6.1
431.25769	9.6
433.22757	2.3
441.24283	18.8
442.24686	2.1
459.25278	100.0
460.25668	12.8
473.21573	2.0
476.28052	1.2
477.26508	16.1
478.26630	2.0
491.22516	10.6
492.22845	2.2
511.31781	1.5
614.88940	1.1
637.29492	20.1
638.29285	3.2
655.30298	8.8
656.29962	1.6
673.31683	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3407
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
51.17207	0.4
53.03941	1.2
55.01869	0.8
55.05508	2.9
57.03433	2.0
59.05002	0.8
61.02924	5.7
67.05178	0.7
67.05503	9.6
69.03434	3.0
69.07062	1.9
69.93510	0.4
71.04990	2.4
73.02923	3.1
79.05500	3.9
81.02972	0.7
81.03413	6.4
81.07052	5.1
83.04980	2.8
83.08624	2.5
85.02901	7.2
85.06535	0.4
87.04479	0.8
91.03960	3.5
91.05477	4.1
93.07042	3.7
95.04970	2.5
95.08612	2.7
97.02887	4.9
97.06538	1.5
99.04460	1.5
101.02382	1.4
103.03978	0.5
105.07039	3.2
105.07638	0.5
107.04972	1.3
107.08611	2.8
109.02872	1.4
109.06540	1.3
109.10156	7.0
111.04430	0.6
111.08075	0.9
117.07042	1.0
119.08561	2.5
121.06477	0.7
121.10146	1.9
123.04451	1.5
123.08036	1.0
123.11723	0.7
125.09638	0.5
127.03934	2.2
128.06247	0.5
129.07016	1.5
131.08554	2.4
133.10115	2.1
135.08040	0.5
135.11697	0.8
137.09642	0.5
143.08646	0.6
145.06483	0.5
145.10158	1.3
147.08072	0.7
147.11697	2.1
149.09665	1.6
151.03949	1.1
155.08633	0.5
157.10124	1.3
159.08038	0.5
163.11215	0.7
173.11746	1.2
175.11206	1.1
181.05069	0.6
184.07253	0.4
189.05434	0.6
192.09285	0.5
193.12289	1.8
211.13312	1.4
217.04926	0.5
225.14879	0.9
227.12776	1.0
229.14450	1.3
243.08421	2.6
245.04434	1.2
261.16650	0.5
267.16043	1.4
275.20160	2.4
283.15216	3.7
284.15555	0.6
285.16946	0.9
339.17676	0.7
349.23837	1.3
407.17892	0.4
413.17862	10.8
414.18307	0.5
425.08823	1.5
435.18127	0.6
453.19293	0.9
459.27277	1.5
477.28589	1.8
493.28015	1.1
501.23099	9.5
502.23578	1.2
511.29099	0.6
655.30603	0.5
673.34015	100.0
674.34424	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00525	0.9
53.03937	2.9
55.05513	74.6
56.05851	1.1
57.07076	1.7
67.05500	3.9
69.07063	2.2
69.48317	1.0
71.04991	0.9
71.08623	1.3
73.72387	0.9
79.05479	1.8
81.07063	5.0
83.04983	100.0
84.05312	2.6
91.05470	2.0
93.07055	3.0
95.08606	6.3
98.23447	2.2
100.51833	0.8
105.07050	11.2
107.08591	2.9
109.10139	4.5
118.59203	1.1
119.08577	5.4
121.10146	4.3
123.11729	1.5
125.09618	0.9
133.10153	4.9
135.11691	1.4
145.10164	1.4
147.11676	10.7
161.13234	8.5
167.07063	10.6
167.64067	0.9
175.14751	1.2
203.17957	59.5
204.18324	4.2
213.05473	2.6
227.12755	2.2
228.87750	1.3
242.05731	1.3
249.11169	4.3
257.08109	7.8
271.09604	1.6
281.11621	2.0
285.07660	1.5
296.14059	5.0
317.10275	3.8
327.15811	6.9
340.13077	1.9
351.42587	1.0
355.15363	21.3
356.15872	2.8
387.18063	4.2
441.22882	1.1
468.37695	1.5
469.22235	16.2
470.22583	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.3
53.03951	0.5
54.03482	1.4
55.04256	0.9
65.03938	0.6
67.05502	0.8
67.76968	0.3
68.99801	0.9
69.03439	0.8
70.06596	100.0
70.73296	0.7
71.06922	1.5
77.03925	0.3
79.05503	0.3
81.03429	0.7
81.07078	0.5
82.49402	0.3
83.04983	1.4
85.02925	0.4
89.03931	0.4
89.05387	0.3
91.05497	1.0
93.03423	0.8
95.04979	2.1
96.08170	0.3
101.76704	0.3
103.05487	0.5
107.04959	1.8
109.06523	0.7
111.04442	1.7
117.03395	0.3
119.04951	1.5
121.00043	0.3
121.02877	0.6
121.06502	0.3
123.04434	6.8
127.03902	0.3
129.05486	0.5
129.63411	0.3
131.04974	0.8
135.04417	23.6
136.04750	0.6
137.05981	5.8
139.03903	6.2
145.06537	0.3
147.04417	1.4
149.06038	0.6
151.03912	2.3
153.05536	0.9
155.80457	0.2
157.04974	0.6
159.04433	1.0
161.06027	1.1
163.03911	24.0
164.04335	0.6
165.05489	14.9
166.05852	0.3
169.06538	0.3
171.04250	0.3
173.06042	0.6
175.03978	1.1
176.07059	0.3
177.05453	1.7
179.03534	0.5
181.06538	0.4
185.06085	0.4
187.03917	4.0
188.92661	0.3
189.05533	0.9
191.03456	0.7
193.05031	0.3
197.05994	0.4
199.07632	0.3
201.05522	1.0
203.03528	0.5
203.07233	0.5
205.04944	2.1
211.07634	0.4
213.05461	0.5
215.07037	1.4
217.04872	0.6
221.06044	0.4
227.07233	0.4
229.04987	2.5
235.07535	0.5
238.74104	0.3
239.07100	0.9
241.05074	0.8
243.06543	1.3
255.06590	0.5
259.06125	1.0
267.06561	1.3
269.08206	0.7
271.06039	4.0
273.07614	0.4
279.06680	0.5
281.08212	0.5
283.05957	2.2
285.07574	10.0
286.07983	0.5
289.07120	0.6
295.06018	2.8
296.06683	0.3
297.07544	1.6
299.09232	0.6
301.07181	2.5
309.07605	1.5
313.07126	4.0
315.08780	0.9
325.07053	3.2
327.08615	4.2
384.14490	2.3
411.10507	1.2
435.10922	1.2
447.10928	4.0
453.11804	1.1
465.11823	4.5
466.12317	0.5
504.16528	0.4
590.53754	0.3
605.16382	1.0
617.16559	5.7
618.17072	0.8
674.22296	22.9
675.22736	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47856	0.8
52.55360	0.7
58.49036	0.7
67.05489	1.4
69.15313	3.5
69.15738	2.6
72.71358	0.7
79.05495	1.4
81.07063	1.9
86.98508	0.8
91.05460	1.0
93.07030	1.4
93.35130	0.8
95.08620	1.2
105.03381	2.8
105.75499	0.8
107.08591	1.1
119.08567	0.9
121.10066	0.8
131.08606	1.0
159.11554	0.9
165.07095	1.1
168.13541	0.8
184.07352	1.1
193.08720	0.9
193.29077	0.7
195.07915	1.1
202.18095	0.8
202.89221	0.7
205.06522	1.0
207.07951	1.3
209.09563	1.8
210.06844	1.3
211.01216	0.9
219.07994	1.5
221.09644	1.7
222.06735	0.9
223.07574	1.7
224.08212	0.9
225.09026	1.4
228.25679	0.8
233.05983	1.8
234.06833	4.2
235.07658	2.1
236.08282	1.3
237.05476	1.2
237.09161	3.3
238.06239	1.9
239.06818	1.0
239.10684	1.6
247.07529	1.3
249.05542	1.5
249.06769	0.9
249.09030	6.7
250.06195	1.9
250.09833	1.3
251.07069	3.0
252.07806	1.4
253.08633	2.5
255.06647	1.4
255.10092	1.6
263.07089	3.0
264.07858	2.8
265.05032	1.1
265.08597	6.5
266.05945	1.1
266.09265	1.7
267.06503	1.8
267.10187	6.2
268.07272	3.4
269.07959	1.9
271.06027	1.8
276.07736	1.5
277.08493	7.4
278.09207	1.6
279.06595	2.6
279.10172	3.0
280.07257	2.7
280.10989	3.2
281.04865	1.3
281.08109	5.4
281.11374	1.8
282.08902	2.8
282.12540	3.1
283.06454	1.3
283.09637	4.5
284.06830	1.4
285.07602	2.0
291.06555	1.8
292.07318	2.3
293.08102	8.7
294.08820	3.4
295.06195	1.3
295.09604	10.8
296.06732	3.0
296.10193	1.9
297.07803	1.7
297.11273	3.9
298.08380	4.2
298.11661	1.3
299.05438	2.6
299.09152	2.6
305.08038	1.0
306.08862	2.3
307.06073	2.4
307.09592	16.4
308.06967	1.5
308.10391	6.0
309.07590	5.2
309.11218	8.2
310.08237	4.1
310.11969	6.0
311.09088	4.7
311.12302	1.2
312.09766	1.9
313.07001	2.6
313.10696	2.2
313.14200	1.5
314.07813	3.2
315.08447	1.0
322.08286	2.6
323.09091	8.7
324.09869	3.4
325.10672	13.1
326.11349	4.7
327.08554	2.0
328.09296	1.7
329.10193	14.4
330.10739	1.0
331.25897	0.9
335.09052	1.0
337.10617	3.2
338.11453	20.1
339.08496	2.9
339.12238	6.0
340.08957	2.1
340.13049	33.5
341.10065	5.6
341.13818	10.1
342.10876	5.1
342.14453	1.0
343.11719	8.5
344.12140	1.2
350.11105	0.8
352.13110	0.9
353.10239	2.0
354.10855	6.0
354.22885	0.8
355.11658	2.3
355.15710	1.0
356.12442	11.7
357.13159	2.1
367.11841	2.5
369.13300	100.0
370.13571	9.0
371.14880	59.3
372.15283	5.2
373.12906	2.2
381.13516	2.0
382.14059	4.3
383.14890	1.1
385.16711	0.9
413.15933	11.0
414.15860	1.1
673.40741	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
53.71713	1.9
55.05510	47.9
56.05848	2.0
56.35878	2.0
67.05471	2.4
69.03429	10.5
69.49029	9.5
79.05495	18.1
81.07055	82.3
83.04978	43.3
84.05283	2.1
87.92191	1.8
91.05465	6.0
93.07021	2.4
95.08598	7.2
97.06526	2.1
98.22664	2.6
105.07056	4.4
106.01545	1.8
107.08594	4.2
109.06514	27.4
111.04461	5.9
115.05488	2.0
117.07048	3.7
119.08630	3.0
121.06461	3.6
123.04457	4.0
123.08028	6.0
129.06990	4.5
131.08566	3.9
133.06508	3.1
135.08060	3.0
137.05974	100.0
138.06311	3.7
138.82800	2.0
139.07431	2.8
141.06970	3.7
143.08551	4.5
145.06473	5.1
147.08075	4.7
153.05429	2.9
155.07047	6.2
155.08612	3.3
157.06432	3.4
159.07994	2.2
163.07538	5.1
165.06998	3.2
165.92863	1.7
167.08542	5.3
167.31090	1.8
169.06294	1.9
169.10155	2.9
171.08113	2.4
173.09573	3.5
175.07547	5.7
177.09048	3.3
179.08505	5.1
181.10069	2.6
183.08005	3.7
185.09563	2.3
191.06943	5.5
192.09315	2.9
193.10100	4.5
195.08043	4.6
195.11526	2.1
197.09529	2.9
199.11244	1.9
201.09135	2.7
203.08572	2.9
205.10085	2.8
207.11659	5.0
208.08789	2.2
209.09573	3.3
211.11104	2.6
217.10194	3.9
218.10921	2.5
219.11641	3.4
220.08861	3.8
221.09596	6.0
223.07610	2.1
223.11200	4.7
225.09117	2.6
225.12643	1.8
231.08228	2.0
232.08723	2.1
233.09633	4.2
235.11177	8.3
235.14868	2.2
236.12010	3.6
237.12737	5.5
239.10600	2.1
244.87485	2.0
245.13196	2.5
246.10388	2.6
247.11249	3.8
249.08945	2.8
249.12794	3.1
251.10674	4.1
253.12267	3.0
261.12625	2.7
263.10687	13.1
263.14291	2.2
264.11505	10.2
265.12140	6.6
267.13861	3.3
273.12582	4.7
281.11783	2.4
281.15265	2.7
282.12421	2.6
283.13245	7.1
285.14957	3.0
289.12283	2.5
291.13708	3.8
305.15323	2.3
307.13373	3.4
309.14868	3.0
325.14206	14.0
343.15396	3.7
351.16119	2.9
355.16721	4.0
373.17935	5.8
383.16409	7.1
391.18958	4.1
401.17386	49.3
402.17676	5.2
417.20914	3.8
419.18524	71.2
420.18994	9.9
425.17798	2.4
437.19626	17.8
443.18665	9.5
461.13687	2.3
461.19623	24.2
462.20053	2.8
479.20578	23.7
480.20865	2.6
482.25623	2.1
497.17880	4.4
553.15149	2.2
594.45508	2.2
644.24231	2.1
657.22333	2.1
675.26849	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20993	2.4
54.97030	2.5
55.01865	5.9
55.05515	60.8
57.03437	5.9
57.07077	3.4
65.03936	2.7
67.05501	21.3
69.03419	5.0
69.07068	8.1
70.06586	4.4
71.01381	3.3
71.05000	4.3
71.30829	4.7
76.07360	2.7
79.05488	20.8
81.03410	6.5
81.07057	54.4
83.04494	3.9
83.04977	67.0
83.08630	4.6
85.02919	3.7
88.07637	5.1
91.05468	14.8
93.07056	23.1
95.04974	13.3
95.08607	18.6
95.40126	3.0
97.02919	9.1
97.06529	6.9
102.09181	4.1
105.07034	13.3
107.04922	3.7
107.08606	15.4
109.06512	19.6
109.10178	3.2
111.08064	4.6
112.38365	2.8
117.07018	6.8
119.08593	8.1
121.06535	5.7
121.10142	7.7
123.08080	10.0
131.08595	7.5
133.06528	5.0
133.10144	5.1
135.08096	4.5
135.11720	9.4
137.05989	30.4
139.07564	3.3
143.08614	7.3
145.06487	22.3
145.10135	8.2
147.07973	5.8
149.02327	20.3
149.13260	7.1
151.07643	3.1
155.08524	7.6
157.06464	3.8
157.10120	5.2
159.08165	3.6
159.11684	3.5
163.11188	8.2
165.06984	4.4
169.08673	4.0
169.10126	3.5
171.07986	14.5
179.08553	3.2
181.06525	3.2
181.10110	3.6
183.08095	9.3
184.08893	3.4
185.09669	4.9
186.45544	2.7
193.04996	18.8
193.10144	7.0
195.08006	8.8
195.13799	5.0
197.09618	7.0
199.07613	5.5
199.11221	2.9
205.10126	9.1
205.11899	3.3
207.08006	5.1
207.11678	5.9
209.09720	4.0
211.11174	4.6
217.10109	5.6
218.10858	4.4
219.11629	5.7
220.08807	5.1
221.09650	6.9
221.13208	3.7
223.11353	3.3
225.09174	6.5
228.23238	16.8
231.11597	3.5
233.09647	4.5
234.10417	4.0
235.11150	14.1
236.11940	3.9
236.32196	3.0
237.12781	7.0
239.10721	3.9
244.08688	3.4
245.09605	6.8
246.10339	3.7
247.11224	5.9
247.14825	6.4
249.12761	4.1
251.14253	5.4
253.12259	3.8
257.13345	5.7
259.11188	9.6
260.11990	3.9
261.12698	8.8
262.13089	3.2
263.10703	8.6
265.15851	4.6
269.17502	26.1
272.25891	8.1
275.14337	16.0
277.12268	7.2
277.15619	3.1
279.13959	3.2
281.11810	7.3
283.15445	21.1
285.12698	7.1
289.12421	4.6
291.13846	3.8
293.15332	9.7
303.13776	10.6
309.10999	3.2
317.15305	5.5
321.14764	6.3
335.16333	4.1
341.06537	3.4
359.16699	3.2
363.15839	6.2
373.18057	10.2
377.17563	5.4
381.16949	10.7
385.09348	7.8
389.46054	3.0
391.19034	11.2
401.17453	38.2
402.17651	4.1
403.15390	5.9
417.20560	8.7
419.18451	100.0
420.18854	13.1
429.11533	8.3
435.21552	5.8
437.19635	39.9
443.18512	9.9
461.19662	37.4
462.19986	4.3
469.14951	6.7
473.14401	4.1
477.28476	65.3
478.28809	5.6
479.20679	45.4
480.21088	4.1
481.14929	3.8
482.15826	8.3
483.17035	4.1
495.16574	7.1
497.17545	24.1
555.18921	6.8
643.22992	7.4
644.24774	6.3
657.24799	7.0
674.35449	37.6
675.26538	94.4
675.36194	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
55.01858	2.1
55.05513	87.7
57.03426	2.0
58.12513	1.6
59.04992	1.6
61.04713	1.7
67.05505	8.9
68.43137	1.5
69.03426	6.6
69.07065	1.7
70.61510	1.3
71.04983	1.8
71.29451	2.4
79.05496	13.0
81.03428	4.5
81.07062	26.4
83.04984	98.8
83.08620	2.2
85.26534	1.5
91.05493	9.8
93.07046	11.8
95.04991	8.6
95.08612	14.8
97.02880	7.0
97.06502	4.3
97.10143	1.5
99.04477	4.2
105.07040	9.7
107.04931	2.0
107.08586	9.3
109.06522	19.6
109.10157	2.3
111.04435	2.0
111.08083	3.3
115.05434	2.8
117.07034	5.7
119.08541	6.0
121.06489	4.5
121.10156	2.3
123.08059	14.1
125.05972	2.6
125.09628	2.2
128.06235	3.8
129.07004	4.9
131.04926	2.3
131.08571	5.0
133.06490	3.8
133.10120	4.9
135.11644	2.5
137.05972	28.2
139.94879	1.4
141.07031	4.0
142.07759	1.8
143.08563	6.4
144.05661	1.8
145.06479	16.5
145.10139	3.6
147.08047	5.7
149.05978	4.1
149.09590	2.8
151.07556	7.0
153.06940	2.2
155.07162	1.9
155.08553	7.4
157.06451	3.8
157.10138	5.9
159.08093	9.1
161.09618	1.8
163.11163	2.7
165.07040	5.3
165.09128	2.4
167.07220	1.7
167.08568	5.7
167.48210	1.6
169.06500	4.0
169.08731	3.8
169.10136	4.4
170.07182	2.6
171.08031	17.8
173.05983	2.8
173.09641	3.5
175.07533	4.5
177.09032	1.9
178.07811	3.3
179.08536	4.9
181.10098	3.9
183.08109	10.8
183.11604	3.5
184.08817	3.6
185.06053	2.2
185.09557	10.0
187.07489	2.2
190.07678	2.2
191.08575	3.3
192.09369	3.1
193.08655	1.7
193.10141	8.1
195.08040	11.2
195.11736	2.2
196.08818	3.7
197.09653	6.7
199.07521	6.0
199.11250	1.8
202.07776	2.5
203.08592	6.1
203.10370	1.5
204.09323	3.1
205.10150	7.7
206.10721	2.2
207.08005	4.8
207.11736	5.9
208.08759	3.6
209.09647	6.5
210.10222	1.7
211.07486	2.6
211.11118	5.4
213.09100	3.6
215.08618	2.2
216.09416	2.3
217.10075	6.3
218.10864	4.3
219.08124	4.4
219.11671	6.8
220.08861	6.0
221.09700	10.0
221.13249	4.3
222.10188	3.3
223.07458	1.9
223.11151	6.0
225.09102	3.1
225.12686	2.3
228.09378	2.0
229.10143	1.9
230.11021	2.3
232.12337	2.6
233.09578	12.4
233.13245	5.1
234.10274	3.5
235.07610	2.5
235.11192	12.8
235.14862	2.3
236.11771	3.8
237.09093	4.7
237.12672	9.6
239.10623	4.6
243.09975	2.7
244.09000	1.9
245.09708	10.2
245.13321	2.2
246.10403	6.1
247.11263	8.1
247.14864	6.5
249.09129	4.0
249.12720	6.9
251.10684	6.3
251.14211	4.3
253.12247	3.8
255.07986	2.0
256.12607	1.7
257.09348	2.0
257.13373	3.4
258.10336	1.8
259.11322	7.7
259.13699	1.8
260.11978	7.5
261.12820	10.9
262.13354	2.8
263.10706	14.9
263.14297	4.0
264.11508	3.5
265.12271	3.9
265.15894	4.7
267.10190	4.3
269.11740	3.4
269.17563	4.2
273.12744	3.2
274.13315	3.3
275.14316	17.0
276.14996	5.3
277.12256	8.7
277.15808	4.8
279.10178	4.6
279.13812	5.8
280.10715	2.3
281.11798	13.1
281.14948	3.0
282.12308	1.9
283.15396	5.7
285.12668	5.2
286.13400	3.1
287.10846	2.8
287.14294	3.0
288.11404	2.4
289.12256	3.5
289.15689	2.5
291.13663	2.1
293.12015	2.9
293.15369	9.6
295.13419	2.6
299.13837	1.5
303.13834	11.7
304.14108	1.8
305.11728	7.8
305.15060	1.9
307.13254	3.0
309.11383	2.5
317.15366	3.0
319.13342	2.8
321.14673	8.4
323.12805	2.4
327.13715	2.4
333.14828	2.0
335.16483	4.9
345.14835	5.1
349.14398	2.1
357.14807	2.3
359.16678	1.9
361.14398	2.1
363.15775	6.5
364.16397	2.7
373.17999	10.3
375.19907	3.3
377.17786	2.4
381.16995	7.7
383.16351	4.3
391.18988	12.9
401.17514	34.1
402.17661	4.8
403.15427	18.6
404.15558	2.7
409.20029	2.3
415.18912	3.5
417.21011	8.2
419.18518	100.0
420.18924	10.0
421.16302	2.2
433.20035	4.1
435.21753	7.5
437.19614	36.9
438.19781	5.6
443.18457	15.6
444.18704	2.5
451.20868	3.3
455.20667	1.9
461.19565	45.4
462.19736	5.4
477.28448	17.4
479.20663	80.9
480.20889	11.7
483.16284	2.1
495.23730	2.5
497.22134	17.6
498.21759	2.2
503.21252	2.3
519.23737	2.7
521.21661	8.7
537.24762	1.9
539.22852	2.2
579.25598	5.4
580.26630	2.7
597.26996	3.5
639.28302	10.2
674.35699	3.0
675.26617	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
53.93052	1.3
54.14071	1.1
55.01882	1.7
55.05514	85.8
55.11614	1.3
56.21186	1.2
57.75385	1.3
59.05009	2.3
69.03422	3.1
69.68998	4.4
69.69400	2.8
79.05481	4.4
81.07059	23.0
83.04982	100.0
84.05284	1.3
91.05486	2.4
93.07052	1.9
95.08610	3.9
97.06519	1.3
103.34698	1.3
105.03372	1.9
105.07059	2.2
107.08604	2.9
109.06516	10.7
119.08637	1.8
121.06506	2.5
123.08051	4.4
123.65096	1.3
131.04996	1.7
133.06476	2.1
135.08037	1.7
137.05981	31.7
141.07016	1.4
142.94597	1.3
143.08519	2.6
145.06474	4.7
147.08101	3.4
149.02412	1.4
149.05832	1.4
153.06976	1.9
155.08578	2.6
157.10229	1.5
159.04375	1.7
159.08041	1.8
163.07481	2.3
167.08524	1.8
169.10219	2.5
171.08075	3.2
173.09656	2.6
175.07489	2.0
179.08583	2.7
181.10109	1.8
183.08084	4.8
184.08777	1.6
185.09569	3.3
186.09970	1.4
191.08510	2.1
192.09309	1.5
193.04962	2.4
193.10107	2.8
195.08057	3.8
197.05940	1.6
197.09641	2.4
199.07542	3.4
205.10181	3.5
207.11681	2.3
209.09616	4.7
211.07480	2.3
211.11221	2.7
217.10133	2.8
219.11787	2.4
220.08841	1.7
221.09557	4.1
223.11188	5.9
225.09070	1.8
225.12766	3.0
227.10631	1.4
229.10127	2.1
231.11609	3.2
232.12704	1.5
233.09641	1.7
233.13226	2.7
234.10548	1.7
235.11223	7.0
236.11966	1.4
237.09187	2.6
237.12747	5.5
239.10648	4.6
239.14339	1.6
243.11652	2.3
245.13313	1.7
246.10333	2.5
247.11223	7.4
248.11900	1.7
249.09145	1.7
249.12718	6.0
251.10649	4.9
251.14380	3.0
253.12270	2.6
255.10306	1.7
255.13715	2.1
259.14771	2.4
261.12659	2.1
263.10574	2.1
263.14325	4.2
264.11334	2.6
265.12128	6.4
266.12964	5.7
267.13748	4.9
273.12607	2.2
275.14246	2.3
277.12241	4.4
277.15829	3.4
279.10376	1.6
279.13730	2.0
281.11603	2.8
281.14935	1.5
283.13165	6.5
284.14035	1.4
287.14151	2.2
289.15900	3.0
291.13907	2.6
295.13559	2.5
295.16919	1.9
297.11151	4.0
305.11951	2.0
305.15259	2.5
307.16916	4.1
313.14279	2.3
319.17133	1.8
323.12970	2.0
323.16507	1.9
325.14395	1.9
333.15002	2.1
335.16336	2.2
341.13931	7.4
351.15964	2.4
353.17575	1.6
373.17966	3.3
375.19431	3.9
381.17096	2.3
385.09113	2.6
385.18021	2.9
387.19608	1.5
391.19006	2.3
399.18658	3.6
401.17307	6.7
403.19153	22.0
404.19498	3.5
405.20361	5.5
415.18887	2.5
417.20514	6.2
419.18524	9.2
420.18839	2.2
421.20114	14.9
422.20505	2.5
425.17572	2.6
426.17798	1.9
433.19885	9.7
434.20468	1.7
435.21619	2.5
437.19351	4.6
443.18481	5.4
451.21259	19.8
453.22824	1.8
461.19604	11.1
462.20111	2.7
469.22375	1.9
479.20615	33.3
480.21185	2.4
497.21487	8.8
515.22894	1.7
533.25385	4.2
579.26013	5.7
580.27094	1.8
597.26880	52.6
598.27246	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.6
55.01869	1.7
55.05514	59.3
57.03448	2.1
67.05508	7.8
69.03432	9.8
69.69864	4.2
69.77351	1.4
79.05484	17.5
81.03422	6.0
81.07059	78.5
82.07408	2.1
83.04984	52.3
83.08606	2.6
84.05311	2.1
84.75494	1.4
85.02916	2.2
91.05492	10.8
91.88058	1.5
93.07039	5.5
95.04954	4.8
95.08629	4.8
97.02899	2.9
97.06569	2.0
98.22428	1.5
103.61430	1.5
105.07043	4.8
106.48925	1.6
107.05022	2.4
107.08588	5.0
108.05367	1.5
109.06512	26.3
111.04444	2.9
111.08133	1.8
117.07026	2.9
119.04942	1.5
119.08603	3.8
121.10107	2.0
121.27260	1.6
123.04445	3.0
123.08080	5.0
128.06203	2.7
129.06981	5.1
131.08578	4.2
133.10089	2.9
135.08051	1.9
137.05978	100.0
138.06335	3.4
139.07550	1.7
141.07011	2.5
143.08592	3.4
145.06528	3.4
145.10153	2.7
147.08037	3.6
148.08286	1.8
149.05917	1.6
151.07565	2.0
155.07022	9.8
155.08472	3.5
157.06436	2.2
157.10130	1.9
159.08029	2.9
159.11757	1.6
163.07536	3.6
163.11177	3.0
167.08508	2.2
169.06470	1.9
169.10217	2.0
171.08119	2.8
173.09608	2.7
175.07570	8.3
175.11127	2.7
178.07805	2.1
179.08545	4.5
181.10107	3.9
183.11850	2.0
183.75888	1.5
185.09653	2.2
187.07652	1.5
189.09024	1.7
191.07047	2.9
192.09259	2.0
193.10155	4.7
193.12157	2.6
194.07277	1.4
195.08040	3.6
197.09602	2.7
201.09099	1.7
203.08585	2.7
205.10062	3.3
207.07906	1.9
209.13268	2.4
215.08835	2.0
217.10309	1.7
219.11707	3.7
220.12396	2.4
221.09627	4.5
221.13290	2.0
223.11203	3.3
225.09200	2.5
230.10832	1.8
231.11693	2.0
233.09677	2.1
235.11140	5.8
236.12015	3.4
237.12819	5.6
239.10535	1.8
245.09578	2.4
245.13326	2.1
247.11220	4.4
249.09106	2.5
249.12711	2.8
253.12279	2.4
257.90805	1.6
261.12784	2.3
263.10675	5.5
263.14282	2.4
264.11511	8.3
265.12198	10.3
267.15921	4.7
269.17505	4.1
273.12692	4.3
279.13757	2.0
281.11853	3.8
281.15323	2.4
283.13025	3.7
283.15485	4.6
291.13797	2.5
305.15387	1.6
306.12402	2.0
307.13287	3.1
307.16550	1.7
325.14499	12.3
343.15424	4.4
351.16037	2.6
355.17041	2.3
357.18567	1.8
373.18100	4.8
383.16449	5.7
391.18845	3.9
397.18286	2.5
399.19968	2.0
401.17435	29.2
402.17584	3.2
415.19189	2.9
417.20697	2.5
418.16901	2.1
419.18488	39.5
420.18607	5.7
435.22189	2.5
436.18454	3.0
437.19617	16.1
438.20142	2.3
443.18640	8.3
455.20554	2.6
459.27469	3.2
461.19696	17.1
477.28360	12.3
479.20615	20.5
480.21155	1.9
496.17157	2.4
497.22565	16.3
515.22455	3.2
643.24030	2.9
657.25745	2.0
675.26514	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.6
55.01875	4.4
55.05514	34.9
57.03437	19.3
61.02922	6.7
65.03935	2.9
67.05508	35.6
69.03424	4.8
69.07063	12.8
71.04995	6.8
71.30936	2.4
79.05494	31.8
81.03424	87.9
81.07062	48.7
82.03757	2.1
83.04980	33.9
83.08621	25.1
85.02904	15.6
85.06552	2.5
87.09656	2.1
91.03881	1.8
91.05486	36.4
93.04974	1.9
93.07046	28.3
94.07366	2.1
95.04964	28.9
95.08617	14.5
96.18790	1.8
97.02895	7.2
97.06540	6.5
97.10147	3.7
99.04471	4.0
105.07034	26.2
107.04954	9.5
107.05595	2.5
107.08586	17.8
109.06511	10.5
109.10149	4.0
111.04437	3.1
111.08091	7.8
113.06020	2.6
117.07027	8.3
119.08575	21.0
121.06539	6.7
121.10139	10.7
123.04401	2.9
123.08085	11.0
123.11719	2.4
124.26588	1.9
125.09625	3.9
128.06281	3.1
129.06989	9.9
131.08571	12.9
133.06529	3.7
133.10167	9.4
135.11716	6.6
137.06030	5.1
137.09633	2.8
137.60016	1.8
142.07809	2.1
143.08607	3.7
145.06529	5.3
145.10120	7.9
147.08090	3.9
147.11673	12.2
149.09642	9.4
149.13252	4.4
157.06554	2.8
157.10123	14.4
159.08017	3.5
159.11758	3.3
163.11185	7.2
169.10051	2.2
171.08014	5.7
173.09689	3.8
175.11215	7.9
183.08060	2.7
185.09593	2.1
193.12230	32.3
195.13837	4.2
205.10239	2.4
209.09726	3.6
209.11668	3.1
211.11304	2.9
211.13318	16.8
225.09528	1.9
225.12621	1.8
233.09604	3.3
235.11195	3.7
249.14850	3.2
267.15921	86.2
268.16248	4.6
269.17477	21.0
275.14362	3.1
277.15747	2.2
283.15381	39.9
285.16998	17.6
291.13531	2.1
293.15259	2.9
295.08899	1.9
303.13733	2.7
349.21643	2.5
367.22626	7.8
373.18243	2.8
381.16968	3.1
385.23773	5.3
391.19101	5.3
401.17322	7.7
403.15729	2.8
415.24402	2.2
419.18585	22.7
433.25644	8.9
437.19736	8.9
441.25809	2.9
459.27417	41.4
460.27908	5.5
461.19589	10.6
477.28470	100.0
478.28769	14.1
479.20462	13.7
480.21078	2.8
497.21472	5.0
674.35107	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.1
55.05516	20.8
57.03440	12.0
61.02915	3.1
65.03959	3.1
65.79301	2.4
67.05507	40.5
69.03431	7.2
69.07069	14.1
71.04992	6.5
79.05494	52.3
81.03419	56.3
81.07059	49.2
83.04977	25.3
83.08622	21.5
85.02916	17.1
85.06547	5.2
86.09692	4.1
91.05482	66.2
91.06007	5.0
93.07047	36.3
94.72011	2.8
95.04961	27.7
95.08614	27.9
97.02894	4.9
97.06548	6.9
97.10157	4.1
99.08132	3.5
105.07040	44.8
106.07406	3.5
107.04939	19.5
107.08616	17.7
109.06525	6.8
109.10171	11.0
111.08102	8.1
113.06042	3.1
117.07012	7.7
119.08582	36.5
121.06552	5.2
121.10140	21.7
123.08102	4.7
123.11697	3.2
127.03936	5.0
127.07562	3.1
129.07022	20.6
130.07819	2.8
131.08582	23.0
133.10127	39.8
135.11639	7.2
137.05997	3.5
137.09627	4.0
142.07794	3.7
143.07042	3.0
145.10132	9.0
147.08066	6.7
147.11662	21.7
149.09639	7.7
155.14310	3.0
157.10123	24.7
161.13255	5.1
163.11208	6.5
165.12845	4.2
171.11710	3.1
175.11153	17.5
184.07368	7.3
185.13106	3.2
193.12198	39.4
211.13283	33.5
223.90207	2.8
267.15909	100.0
268.16190	4.9
283.15387	5.1
285.16895	23.4
312.84952	2.8
419.31445	4.8
459.27484	82.0
459.34488	10.6
460.27704	7.2
477.28564	70.9
477.35672	8.7
478.28757	7.6
625.03375	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34763	0.1
55.05510	0.9
56.05038	0.9
57.03430	0.2
58.06624	0.4
59.07380	0.1
60.08163	6.2
63.06051	0.1
67.05504	2.4
69.07066	0.6
70.06595	0.1
70.71310	0.1
71.07371	3.8
79.05497	1.0
79.10239	0.1
81.03414	0.5
81.07055	1.4
83.04958	0.2
83.08617	0.3
86.09703	30.7
87.10038	0.7
91.05481	1.4
93.07060	1.0
95.04976	0.2
95.08609	0.9
97.10166	0.2
98.98461	3.7
104.10743	2.3
105.07027	1.0
107.08610	0.8
109.06498	0.2
109.10162	0.9
110.68235	0.1
117.07027	0.3
119.08601	0.7
120.28572	0.1
121.10146	0.4
123.08064	0.1
125.00001	23.0
125.09643	0.1
129.07002	0.2
131.08580	0.4
133.10097	0.5
135.11702	0.3
137.06026	0.2
143.01024	0.4
143.08563	0.2
145.10107	0.5
147.11685	0.7
149.13278	0.1
157.10001	0.2
159.11729	0.4
161.13277	0.2
166.02776	0.1
167.23112	0.1
173.11661	0.4
173.13116	0.2
178.96233	0.1
184.07336	100.0
185.07693	2.0
229.14362	0.3
229.29366	0.2
241.19554	0.3
259.20474	0.4
261.34354	0.1
296.80148	0.1
333.24188	0.3
355.15305	0.1
387.18021	0.2
491.36819	0.2
503.37720	0.2
507.91101	0.1
533.38184	0.2
612.28717	0.2
630.30127	1.1
631.29321	0.3
674.30524	0.2
674.43854	4.1
675.44617	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.3
56.05035	0.5
58.06606	0.3
60.08164	5.9
67.05492	0.9
69.11791	2.5
71.07376	3.1
79.05480	0.4
81.07056	0.6
86.09708	27.6
87.10039	0.5
93.07006	0.3
95.08606	0.5
98.98469	3.3
104.10752	2.3
105.03403	0.4
107.08561	0.3
109.10141	0.4
110.97895	0.3
121.10131	0.3
121.21944	0.2
125.00008	19.6
131.04938	0.4
133.06474	0.4
137.05977	1.0
145.06436	0.3
145.10117	0.5
166.74229	0.3
173.09668	0.6
175.07442	0.3
175.11166	0.3
176.08455	0.3
184.07346	100.0
185.07697	2.3
205.12282	2.0
215.12720	0.3
351.26846	0.2
357.23788	0.2
428.78293	0.3
674.43750	2.7
675.30792	0.5
675.42938	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	13.3
55.31937	2.5
57.07073	9.0
57.20743	2.6
67.05500	6.7
71.08626	4.4
81.07039	6.0
83.04974	14.3
93.07049	4.3
95.08601	9.6
105.07030	3.9
107.07117	2.8
107.08636	2.9
109.10163	4.9
110.28400	2.7
111.38708	2.6
121.10135	5.2
147.11661	3.2
163.11205	3.5
201.16266	3.0
203.17926	6.1
223.10902	2.9
228.77780	3.9
257.07990	4.4
258.08942	3.2
267.06577	3.0
279.10162	3.9
281.08157	3.9
282.08984	7.7
283.09698	3.9
284.10440	4.9
285.07626	5.1
287.09094	3.4
294.12628	3.5
295.09613	4.0
295.13306	8.7
296.10376	6.7
298.08298	4.8
299.09308	5.4
301.10904	3.7
306.12357	3.4
307.09506	5.9
307.12918	3.0
308.10443	3.5
309.11407	4.3
309.14859	5.5
313.10678	10.2
314.11127	2.8
315.08786	3.8
317.10162	9.1
318.10974	13.2
322.11868	3.6
323.12888	17.1
327.12292	6.9
328.12970	4.9
330.10843	3.7
331.11661	5.6
332.12457	13.3
337.14346	21.9
338.15021	14.6
339.12231	7.0
339.15973	3.9
340.12567	3.7
341.17493	6.8
345.13156	6.7
354.14722	4.5
355.15317	16.3
359.15082	6.5
369.16953	23.4
370.17612	23.9
386.17361	5.6
399.70956	2.8
401.19580	100.0
402.20007	6.3
505.61942	3.2
560.55560	2.8
570.36090	2.9
639.42474	67.5
640.42554	8.4
642.56525	2.9
674.50262	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	2.0
55.08570	0.6
57.03435	0.8
67.05494	3.6
68.82934	0.6
69.07082	0.7
71.30651	0.9
74.21758	0.5
79.05512	1.9
81.03442	1.2
81.07068	4.2
83.05006	0.9
83.08619	1.0
83.23721	0.6
85.06583	2.0
91.05505	1.7
93.07029	2.9
95.04983	0.8
95.08614	1.0
97.06515	0.6
105.07089	1.1
107.08636	1.2
109.06580	0.7
121.10129	0.8
131.08577	0.8
133.10191	0.9
135.11752	1.7
136.84447	0.6
145.10176	1.2
157.10193	0.7
159.06360	0.6
163.11241	1.1
166.20155	0.7
217.53773	0.6
221.01706	0.7
227.12756	1.2
240.04240	1.1
255.16049	0.7
256.38654	0.6
267.06470	4.2
267.16153	0.7
269.17572	1.5
270.17984	0.8
281.08517	0.6
283.15558	1.7
297.07700	1.5
299.09430	0.8
329.10239	1.0
385.12970	2.0
413.16290	1.7
429.15601	1.2
441.19235	1.0
443.17386	1.8
445.19070	0.8
454.16617	0.9
454.81476	0.6
457.14603	0.8
467.18051	0.7
468.14737	2.1
469.14484	5.9
470.16125	1.8
471.16953	2.2
472.17734	1.3
477.28458	4.0
478.28784	3.9
480.14175	1.0
481.14651	2.8
482.15845	9.4
483.16531	9.9
484.17529	2.7
485.18451	2.4
486.18619	0.9
495.16708	5.8
496.17456	6.7
497.18228	32.0
498.18924	6.5
499.19940	1.2
500.16934	1.4
510.19293	2.4
511.19568	3.8
512.20172	1.1
515.19464	1.9
528.16760	1.4
541.17285	1.4
542.18738	1.6
553.14709	27.3
554.14813	3.1
555.18750	6.4
556.19452	3.2
557.20056	2.9
558.20538	0.7
569.20490	1.2
573.23236	1.8
616.22272	1.0
617.22388	1.8
643.23755	5.6
644.24969	4.5
645.24048	2.2
657.25513	5.5
660.24567	2.3
661.24542	0.9
675.18298	8.2
675.26959	100.0
676.27216	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58518	1.0
55.01870	6.1
65.03935	2.9
66.59481	1.2
67.05500	2.6
68.99789	10.9
69.03445	2.5
70.06603	1.7
71.29771	1.4
79.05486	2.6
81.03409	1.8
83.01338	1.7
83.05016	2.1
85.02909	2.1
91.05470	6.0
93.03424	2.4
95.04959	4.2
97.02889	1.6
97.06520	1.9
99.04446	1.2
103.05473	3.1
105.03379	2.1
105.07027	5.5
107.04946	3.7
109.02838	3.0
111.00790	7.4
111.04448	7.4
111.05080	1.3
115.05459	5.6
117.07033	3.5
119.04942	4.4
119.08633	1.5
121.02848	2.8
123.04427	50.1
124.04790	1.5
127.03911	22.4
128.06207	4.9
129.06992	5.5
131.04945	7.4
131.08638	2.7
133.02902	1.5
133.06474	5.3
134.49959	1.2
135.04424	12.3
137.02309	2.4
137.05968	5.7
139.03897	100.0
140.04239	3.0
141.06987	2.6
143.04936	2.3
143.08539	5.1
145.06454	3.7
145.10136	2.3
145.88847	1.2
147.04419	16.9
147.07996	1.4
149.02338	4.0
149.05995	12.5
151.03905	23.1
151.07559	1.7
152.06209	2.3
153.01825	16.3
153.05473	5.2
153.06952	2.7
155.03374	5.4
155.08543	3.5
157.06520	5.6
157.10117	2.8
159.04391	2.0
159.08076	2.7
160.05154	10.1
161.05980	37.6
161.09628	1.7
162.06374	1.4
163.03905	30.5
164.04330	1.7
165.01797	2.7
165.05453	10.8
167.03409	14.7
167.08591	5.0
169.06508	1.8
171.08076	3.7
173.05977	7.8
173.09615	5.6
174.06732	2.4
175.03949	8.7
175.07544	16.8
175.11041	1.6
176.04608	3.8
177.05476	10.6
177.09125	2.4
179.03368	17.3
179.07001	1.3
181.04938	4.0
181.06464	2.9
183.08128	3.0
184.05223	2.5
185.06041	3.2
185.09634	3.6
187.03902	2.2
187.07532	5.6
189.05438	6.6
189.09109	28.9
190.06264	1.4
190.09377	2.4
191.03380	25.4
191.06996	2.4
191.10687	7.4
193.04980	6.9
195.08081	7.6
197.05994	2.9
198.06720	3.6
199.07481	6.2
200.04706	2.3
201.05443	5.9
201.09117	18.2
203.03401	17.3
203.07002	4.4
203.10655	3.1
205.04999	4.7
205.08565	6.9
209.09558	2.8
211.07608	2.0
212.04721	1.6
213.05457	4.1
213.09096	15.8
215.03429	3.2
215.07050	3.5
217.04921	3.2
217.08549	14.9
217.10262	1.6
219.10158	17.0
220.69002	1.5
223.07487	2.0
225.09015	1.7
226.06218	2.2
227.07059	2.3
227.10617	2.3
229.04984	12.6
229.08534	6.3
231.06456	1.6
231.10147	4.6
233.04433	11.5
237.09138	2.4
239.07024	1.5
241.08604	13.2
241.77849	1.4
243.06471	1.7
245.04517	6.0
247.05844	2.7
250.06456	1.3
251.05354	1.4
255.06404	1.5
255.10089	5.0
257.04446	20.6
258.05084	1.8
259.06049	2.7
259.09659	4.0
265.08597	2.2
269.04459	2.3
271.06015	6.4
272.06491	1.7
273.07639	1.7
275.05490	26.1
279.06580	2.3
279.10080	1.9
283.06125	3.1
283.09732	3.6
285.07404	2.1
287.05499	25.6
288.05957	3.5
289.07108	4.9
291.08621	14.0
293.11737	1.5
295.05997	7.7
297.07489	2.5
299.05353	13.3
300.06198	2.2
301.07111	12.2
303.08575	1.8
307.09534	1.9
308.06726	1.6
311.05643	1.5
313.06848	1.3
313.10437	1.3
319.78839	1.6
321.11136	1.4
323.09137	4.3
325.07172	2.3
325.10687	18.3
331.09525	2.4
333.11011	2.0
335.08734	1.4
337.10748	4.9
339.12256	6.5
341.10342	3.2
343.11755	13.4
349.10696	8.2
351.12125	5.7
355.11740	4.0
361.10739	5.7
367.11707	23.6
379.11682	15.8
380.12149	1.3
385.12708	3.8
397.12823	15.6
409.09076	19.5
427.10434	9.2
451.10391	1.6
485.15799	1.5
487.13608	4.3
505.14880	5.1
523.15912	3.3
639.17810	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.7
55.05507	1.7
65.03936	1.9
67.05492	3.0
67.15221	1.2
68.99780	11.3
69.03407	3.6
69.41365	1.2
70.06574	1.9
70.44530	2.8
70.44901	2.9
71.01339	1.3
77.03939	1.4
79.05507	2.0
81.03407	1.5
81.07057	1.1
83.04979	2.4
91.05489	5.6
93.03377	2.3
94.83975	1.1
95.04949	3.6
99.65306	1.1
103.05465	4.7
105.03397	2.7
105.07038	5.2
107.04950	4.6
109.02859	2.0
109.06519	1.2
111.00801	7.4
111.04453	5.2
114.46852	1.1
115.05454	5.8
117.07018	3.8
119.04929	5.5
119.08608	1.8
121.02858	3.5
121.06516	1.5
123.04427	57.9
125.02361	2.4
127.03919	18.6
128.06195	4.3
129.07002	8.9
131.04927	7.1
131.08543	2.6
133.06459	6.9
135.04408	11.1
137.02322	2.6
137.05977	4.9
139.03897	100.0
140.04230	2.8
141.06952	2.1
142.07858	1.3
143.04903	2.4
143.08577	7.1
145.06467	4.1
145.10130	4.4
147.04395	20.4
147.08063	2.0
149.02295	2.9
149.05997	9.3
151.03899	26.1
151.07474	3.3
152.06183	2.2
153.01833	13.0
153.05461	4.6
153.06995	2.5
155.03394	6.0
155.08530	3.7
157.06503	7.5
157.10150	1.7
158.07288	1.7
159.04440	2.2
159.08002	3.2
160.05168	15.8
161.05968	38.2
162.06314	1.9
163.03915	25.9
163.07587	1.4
163.11488	1.1
165.01796	2.3
165.05492	11.7
165.06918	2.3
166.07852	1.3
167.03386	15.6
167.08540	5.7
169.04999	1.5
171.08051	5.5
173.06038	6.5
173.09610	6.9
174.06767	1.6
175.03882	10.1
175.07532	15.8
176.04683	3.8
177.05437	11.2
177.09154	1.8
179.03410	15.9
179.07043	3.7
181.04922	3.9
181.06514	4.3
181.10098	1.8
183.08067	2.8
184.05234	2.9
185.06030	3.7
185.09586	6.8
186.06819	1.7
187.03909	3.7
187.07483	6.4
188.08354	1.4
189.05432	9.5
189.09087	36.6
190.09468	4.2
191.03392	26.3
191.07028	2.9
191.10675	6.8
193.04938	9.7
195.08025	6.3
197.06013	3.6
198.06770	3.6
199.07527	5.3
200.04753	2.5
201.05429	6.8
201.09079	22.1
203.03400	15.8
203.07082	3.8
203.10670	4.4
205.04921	7.3
205.08566	8.7
207.06425	1.6
209.09615	2.2
211.07581	3.4
212.04660	2.6
212.08385	1.3
213.05450	5.6
213.09048	12.6
215.03448	3.0
215.06987	3.4
217.05052	6.0
217.08585	20.6
219.10115	13.9
223.07611	2.9
223.09584	2.2
224.08328	1.7
227.06955	2.2
227.10690	2.7
229.04997	9.1
229.08502	7.5
231.10133	5.3
233.04407	11.8
237.09081	3.2
239.07047	1.6
241.04903	2.3
241.08545	15.7
242.09322	1.4
245.04495	6.6
247.05910	2.3
250.06348	2.3
251.05495	2.5
251.10776	1.9
253.08624	1.9
255.10251	3.3
257.04425	25.2
257.08502	1.4
258.04886	2.1
259.06039	2.5
259.09729	4.8
263.07095	1.5
263.10184	1.4
265.08600	1.6
269.04367	2.6
271.06094	6.9
273.07471	2.3
275.05463	34.6
279.06726	1.7
282.05212	1.5
283.06085	4.3
283.09650	4.1
285.07642	4.0
287.05453	32.4
289.07037	2.7
291.08643	7.9
295.05841	6.0
299.05402	9.0
300.06036	1.8
301.07068	11.2
303.08578	4.9
308.06708	1.5
309.11090	1.6
311.05542	2.1
311.09027	2.2
313.07062	1.5
313.10669	1.8
317.06689	1.7
321.11197	3.9
323.09097	5.4
325.07117	2.2
325.10654	13.6
326.10776	2.1
333.11209	3.2
337.10745	3.5
339.12265	7.6
343.11789	13.0
349.10721	11.2
351.12195	5.1
355.11752	3.3
361.10541	6.8
367.11746	27.9
368.12015	1.7
369.13620	1.6
379.11765	20.0
385.12732	4.3
397.12805	23.1
398.13113	2.6
409.09103	19.6
410.09259	1.4
427.10239	10.2
433.09271	2.0
449.07224	1.4
487.13602	4.7
505.14935	7.6
506.15002	1.7
531.16498	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99577	0.3
59.20642	0.3
59.81013	0.3
62.66552	0.3
64.15430	0.4
70.57243	0.5
70.57555	0.4
72.72173	0.3
84.47079	0.3
104.09397	0.3
113.18995	0.3
139.56009	0.3
142.12946	0.3
156.15778	0.3
156.27238	0.3
157.73291	0.3
325.67117	0.3
333.20459	0.3
419.18756	0.4
427.17834	0.4
429.15829	0.7
430.16507	0.4
434.67981	0.4
437.88428	0.4
439.14310	0.5
441.14709	0.4
441.20053	0.3
442.16284	0.5
443.17111	0.6
444.18146	0.5
445.18826	0.9
453.15527	0.5
454.16821	1.1
455.13016	0.5
457.14780	0.8
467.12900	0.6
467.18146	0.8
468.13684	1.9
469.14783	7.2
470.15619	2.4
471.16458	1.7
472.17773	0.7
480.14194	0.8
481.14755	2.4
482.15759	8.9
482.22150	0.5
483.16577	9.1
484.17538	1.7
485.18588	1.5
487.16092	0.5
494.16373	0.4
495.16785	4.6
496.17419	6.6
497.18243	31.1
498.18726	6.7
499.19510	0.9
500.16907	0.4
501.17432	0.5
510.19144	2.0
511.19861	4.3
512.20227	1.2
513.17639	0.4
515.19458	1.5
516.19476	0.3
523.16248	0.4
528.16010	2.0
529.17078	0.6
538.18896	0.5
541.17157	0.5
542.17847	2.0
543.18188	0.6
555.18494	4.6
556.19263	3.4
557.20111	3.3
569.20367	0.5
570.20587	0.4
571.22321	0.4
573.22870	1.4
583.22363	0.4
585.22943	0.6
616.21753	0.9
617.22351	0.9
629.22510	0.6
643.24091	6.0
644.24762	6.1
645.24622	2.0
657.25494	5.4
658.26044	1.2
660.24207	2.2
661.24579	0.4
675.26624	100.0
676.26898	22.4
676.38812	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68256	2.3
53.02358	2.3
53.03958	3.2
55.01877	7.9
55.05516	8.9
57.03436	4.9
58.99591	5.6
65.03956	4.0
67.05503	22.2
68.99799	6.2
69.03428	9.1
69.07067	26.6
71.05000	3.9
76.02225	14.4
79.05492	25.5
81.03417	22.9
81.07048	25.5
83.04978	12.9
83.08615	5.7
85.02917	3.7
85.06534	6.4
91.05476	22.2
93.07037	23.2
94.06583	10.3
95.04977	15.2
95.07361	5.6
95.08610	29.2
96.08150	11.7
97.05905	5.2
97.06531	83.1
97.07140	4.8
97.10212	4.2
98.06904	3.9
98.22638	6.8
103.05504	5.9
105.07025	23.1
107.04955	7.7
107.08589	16.1
108.08112	8.9
109.02866	4.9
109.06509	3.7
109.10169	8.7
110.09683	16.9
111.04459	12.1
111.08093	5.8
115.05489	3.8
116.01694	8.2
117.07026	10.9
119.04916	2.9
119.08589	24.3
120.08102	14.8
121.06522	7.3
121.10147	7.8
122.06035	10.5
122.36271	3.0
123.04433	70.7
123.08078	7.7
127.03908	63.3
128.06213	8.4
129.07030	12.1
130.07788	3.1
131.04964	5.9
131.08591	19.6
133.06494	3.7
133.10123	18.0
135.04417	28.9
135.08054	3.1
135.11691	6.0
136.07594	7.6
137.02335	3.2
137.05957	5.9
138.09132	16.9
139.03903	77.1
139.07549	3.2
141.07047	8.8
141.09097	4.8
142.07802	8.2
143.08553	18.4
143.13480	2.8
144.01178	4.3
145.06483	6.8
145.10118	21.9
147.04454	8.1
147.08070	7.2
147.11693	10.7
148.07582	3.1
149.05975	3.9
151.03943	16.4
153.05515	2.9
154.07742	5.5
155.08565	16.3
156.09387	6.3
157.10133	16.6
159.08070	6.4
159.11624	13.3
161.05977	4.5
161.09631	5.9
162.02242	6.3
163.03918	41.3
165.05516	6.6
165.06961	6.0
166.08737	18.1
167.03433	7.1
167.07112	3.1
167.08508	6.3
168.09282	3.8
169.10126	20.1
171.08177	2.8
171.11736	12.2
173.05974	4.0
173.09642	20.5
175.03922	5.5
175.11218	9.0
177.05481	5.9
179.03487	5.3
179.04912	10.5
179.08508	4.8
181.10121	6.8
183.11702	10.8
184.07343	4.0
185.06029	3.5
185.09509	5.6
185.13333	8.5
187.03914	9.9
187.07613	2.8
187.11200	29.6
189.05505	2.7
189.12720	3.3
191.03374	22.4
192.09366	5.0
193.05127	5.9
193.10159	10.7
193.12149	4.8
195.08110	4.2
195.11661	16.0
196.12537	4.0
197.09628	5.2
197.13252	5.9
199.07584	4.4
199.11140	7.5
201.05467	7.4
201.09100	17.4
203.03281	13.8
205.04955	5.0
205.10149	4.9
206.10945	6.6
207.11751	14.4
207.13414	2.6
208.09055	2.8
208.12582	3.8
209.09586	3.3
209.13277	8.4
211.11246	5.0
211.14885	5.0
213.12766	3.9
215.10683	12.2
217.10234	6.2
218.10809	4.2
218.20258	2.6
219.09908	15.3
219.11768	9.6
221.11153	3.0
221.13261	14.6
223.11186	8.0
223.14816	8.4
225.12703	4.0
229.04889	14.2
229.10204	3.3
231.06622	3.5
231.11760	6.2
232.12444	4.2
233.04507	10.5
233.11433	3.7
233.13406	6.4
235.14790	4.6
237.12737	7.5
239.10663	4.2
239.14311	7.2
241.05037	3.0
241.08600	3.7
241.12244	4.2
241.15942	7.5
243.06485	4.5
244.12495	5.0
245.04539	9.6
245.13300	9.4
246.13776	3.6
247.06039	16.1
247.14799	9.1
249.10277	17.9
249.12758	6.3
250.10809	4.1
251.11603	2.7
253.04950	3.4
255.06523	3.0
255.13844	5.0
257.04431	23.8
257.13177	6.6
258.05029	5.0
258.13928	5.6
259.06061	10.6
259.09662	34.8
259.14801	7.5
260.15302	4.0
261.10278	5.2
261.16406	10.4
263.17926	5.4
265.09726	2.9
265.12268	3.4
267.13721	8.3
267.16248	14.8
269.04443	4.0
271.06030	14.8
273.16287	5.3
275.05527	29.7
275.14166	5.2
275.17886	8.0
277.09619	14.3
277.15839	3.8
277.19418	5.6
279.17453	3.0
283.06009	8.5
285.16605	5.9
287.05505	21.4
287.17957	3.6
288.05804	4.5
289.07004	9.7
289.09882	4.5
291.08450	3.9
291.11362	3.8
299.05655	4.5
301.07007	18.4
301.19400	4.7
303.17435	3.9
307.16653	3.7
309.12384	8.5
310.12842	3.2
319.16995	5.8
321.18427	7.0
327.13922	3.6
328.14496	4.9
329.18735	4.0
337.84082	3.2
342.12421	3.5
343.11731	14.1
347.20129	4.0
352.14432	3.1
355.12274	5.8
356.13974	7.5
365.19168	2.7
367.11835	9.8
367.22415	3.4
369.13635	12.8
380.14145	3.3
382.15555	5.9
383.12604	3.8
384.13312	8.4
385.13159	6.1
385.24054	3.2
397.13211	10.8
398.14856	10.2
399.15732	4.6
400.16534	9.9
401.24747	8.4
409.09232	22.8
412.13235	2.9
415.26172	9.4
416.15762	5.9
417.27771	7.7
419.25848	3.8
425.24536	8.5
426.14389	7.2
427.10001	6.9
428.15939	7.7
429.16806	3.5
431.25226	3.1
433.27161	8.3
441.24274	6.1
442.17914	5.0
443.25690	29.5
444.26172	5.4
454.14203	23.2
459.25385	19.1
460.18719	9.0
460.26013	9.6
461.26794	100.0
462.27295	12.6
472.15018	63.6
473.15320	7.5
474.16434	10.2
477.26913	8.2
479.27716	18.9
480.28400	2.9
486.16928	4.0
487.13974	5.6
492.17520	29.8
493.23843	5.2
504.17642	18.8
505.15170	11.5
519.26855	7.8
523.15662	3.6
580.27551	3.7
598.28082	4.4
607.21552	10.8
611.77972	2.9
625.23077	17.4
626.23206	3.3
639.22894	8.1
639.30444	23.6
657.24255	43.1
658.25647	6.7
675.32806	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.7
55.05511	12.2
57.03441	2.2
65.03937	3.0
67.05507	18.8
69.03436	5.5
69.07078	11.2
71.04983	5.3
71.28803	2.0
76.02236	5.8
79.05496	12.0
81.03430	4.6
81.07046	24.6
83.04978	23.5
83.08640	2.0
85.02909	7.5
85.06545	3.1
86.09720	4.8
91.05466	18.1
93.07035	26.5
95.04967	7.6
95.08600	40.7
96.08936	5.2
97.02901	1.9
97.06522	35.1
98.06871	8.1
105.07024	28.1
107.04948	3.1
107.08601	16.0
109.06506	4.6
109.10160	11.5
111.04430	14.7
111.08068	10.0
115.05460	6.1
117.07022	12.2
118.07299	2.3
119.08583	37.5
120.08164	2.0
120.08959	6.4
121.06539	10.6
121.10139	9.4
123.04414	15.8
123.08069	7.1
123.11700	4.4
124.04768	2.5
125.09675	3.5
127.03927	12.4
128.06216	8.4
129.05534	2.6
129.07010	16.2
130.07835	2.7
131.04921	2.8
131.08565	27.0
132.08861	2.7
133.06494	4.5
133.10135	22.8
135.04434	7.0
135.08080	4.4
135.11641	3.8
137.05965	4.6
139.03888	17.4
139.07556	7.7
140.04216	4.5
141.06992	9.2
141.09126	3.4
142.07753	7.3
143.08571	18.5
145.06482	4.6
145.10139	28.9
146.10480	4.5
147.08044	5.3
147.11665	10.9
149.05988	2.5
149.09657	2.9
151.03935	5.0
153.05495	5.0
153.06979	6.0
154.07713	6.6
155.08530	24.9
156.09294	6.1
157.06560	4.6
157.10130	18.9
159.08044	7.0
159.11679	12.6
161.06017	2.7
161.09573	5.3
161.13214	3.8
163.03896	11.0
164.04300	2.7
165.05470	7.9
165.06880	4.7
166.07755	4.4
167.03418	2.7
167.07019	5.8
167.08577	9.3
168.09331	4.3
169.10103	21.6
170.10568	4.9
171.06569	3.6
171.08067	6.3
171.11693	18.6
172.12042	3.4
173.09642	28.2
173.13287	4.1
174.09981	4.5
175.11176	6.6
178.07808	3.1
179.08585	10.0
180.09315	3.7
181.10124	13.2
183.08122	2.9
183.11714	13.5
184.07245	15.5
184.12224	2.6
185.09624	6.7
185.13260	5.8
187.11153	25.3
188.11510	7.8
189.07170	2.9
189.09052	4.0
189.12721	5.2
191.03381	4.0
191.08543	4.6
191.10558	2.1
192.09361	5.3
193.10092	13.8
194.10893	6.2
195.08066	5.1
195.11684	15.3
196.12411	2.6
197.09645	9.5
197.13251	9.3
198.10059	3.3
199.07555	5.1
199.11168	6.2
201.09113	4.3
201.12849	3.3
202.07765	3.1
202.09482	2.4
203.08513	4.6
203.14388	3.0
204.09317	2.9
205.10226	11.5
205.12074	2.6
206.10915	8.3
207.11726	21.9
208.12228	6.5
209.09708	3.3
209.13225	9.2
211.11172	10.9
211.14685	4.5
213.09180	2.5
213.12779	8.4
215.08739	4.1
215.10625	19.4
216.11040	4.1
217.10251	4.5
218.10854	6.4
219.11809	13.8
220.12346	3.9
221.09744	3.2
221.13228	33.8
222.10521	3.0
222.13586	2.7
223.11209	9.6
223.14816	7.8
225.12785	5.9
229.05095	3.0
229.10165	5.0
230.10899	7.1
231.11751	11.6
232.12347	10.5
233.09607	3.1
233.13461	12.3
235.11150	5.6
235.14818	6.4
237.12778	11.2
239.10715	13.2
239.14230	6.3
241.12204	6.4
243.11713	9.3
244.12387	9.0
245.13324	15.0
246.13933	7.4
247.11159	4.7
247.14778	15.4
248.15292	4.1
249.12755	6.8
249.16414	4.2
253.12338	3.7
255.11403	2.6
256.12234	4.5
257.04446	4.3
257.13187	8.1
257.15598	3.5
258.04736	3.0
258.13959	7.3
259.09494	5.4
259.14731	18.7
260.10037	7.9
260.15430	8.3
261.12631	2.7
261.16425	16.6
263.14124	2.9
263.18011	3.7
265.12234	9.6
267.13846	9.6
268.14288	2.8
269.13113	3.3
270.14001	4.4
271.06021	2.7
271.14716	8.2
272.15604	2.9
273.13077	2.5
273.16293	12.0
274.16986	3.5
275.05548	4.0
275.14352	6.3
275.17892	12.6
276.05807	5.5
277.12555	2.7
277.15887	5.7
277.19614	4.8
283.14816	5.1
285.16336	8.4
286.16953	4.1
287.05453	3.1
287.14224	3.0
287.17911	6.7
289.19382	4.0
291.17358	3.4
297.16257	3.0
299.17874	4.4
300.18835	3.2
301.16040	4.9
301.19507	6.8
303.17520	5.5
303.20883	3.4
305.15503	4.6
315.21014	4.8
316.21835	6.4
317.15463	2.8
319.13260	2.4
319.16800	10.3
321.18436	3.6
327.17508	5.3
345.18625	12.6
349.21484	5.3
360.20770	4.3
363.42624	2.5
373.21686	4.1
395.23471	4.1
397.25174	2.4
399.23029	9.3
409.09265	2.8
410.09219	4.5
413.24692	15.9
415.26358	17.0
416.26511	5.3
417.24271	5.5
423.23126	9.9
424.22974	2.7
425.24533	3.2
431.25864	11.1
433.27365	3.9
441.24249	27.7
442.24384	4.8
444.26169	6.7
459.25314	100.0
460.25793	11.0
460.31918	3.1
461.26785	11.1
461.32724	4.1
462.27307	33.4
464.14087	2.4
477.26331	21.0
478.26523	4.0
480.28113	6.0
491.22372	5.8
493.24167	4.3
494.24310	3.0
506.14932	4.3
519.20154	4.0
519.27417	64.2
520.27374	6.3
580.27319	37.1
581.27118	5.6
598.28320	29.3
640.30029	18.9
641.29315	4.0
658.30927	8.8
676.22266	7.7
676.32355	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20316	1.3
53.03941	4.3
55.01869	3.1
55.05513	52.2
56.05850	1.6
67.05505	4.2
69.03431	96.2
73.58961	1.9
79.05486	5.6
81.07056	4.9
83.04986	56.7
83.69363	1.5
87.04460	3.5
91.05490	4.7
93.07026	7.9
95.08627	7.7
97.06542	3.3
98.23357	4.4
105.07034	7.5
107.04980	2.9
107.08589	4.3
109.06507	10.4
111.08089	6.2
115.03922	3.5
117.07044	2.9
119.08588	5.3
121.06524	3.4
121.10129	4.4
123.08080	9.4
129.06956	4.3
131.08556	5.8
133.06528	4.5
133.10083	2.5
135.08054	3.0
137.05963	2.7
139.07544	100.0
140.07843	3.3
141.07008	3.0
143.08517	4.6
145.06497	3.8
145.10101	3.2
147.08072	5.9
148.93893	1.6
149.09576	2.1
151.07544	5.5
153.05397	1.9
153.06935	2.7
154.07823	1.7
155.08546	7.5
157.06479	3.7
157.10101	4.4
159.08067	4.9
161.09549	3.1
163.07544	2.3
165.06981	3.0
165.09119	2.9
166.07750	1.8
167.08569	4.2
169.08713	1.9
169.10129	5.5
171.08049	8.5
173.09537	2.1
175.07492	2.2
177.09132	7.2
178.07727	3.0
179.08560	4.1
181.08650	2.7
181.10159	5.1
183.08125	3.4
183.11702	5.5
185.09602	3.6
187.07629	2.1
187.11189	2.9
191.08617	2.6
193.10095	7.3
195.08009	5.2
195.11658	3.8
196.08795	2.1
197.09590	4.9
199.11189	2.0
201.12776	2.6
205.10110	4.1
206.10901	4.1
207.08011	2.5
207.11716	4.9
209.09595	6.3
211.11227	4.4
213.09096	4.1
215.08760	1.8
215.10811	1.8
216.09248	3.3
217.10178	2.7
219.11665	4.9
221.09676	7.9
221.13293	4.5
223.07594	2.5
223.11159	4.5
227.10558	2.5
229.10153	2.4
230.10951	3.0
231.11693	4.7
232.12524	1.9
233.09663	3.8
234.10234	1.9
235.11191	4.6
235.14781	3.4
237.09053	2.3
237.12749	9.2
239.10840	1.9
245.09569	1.9
245.13290	3.8
246.10336	3.0
247.11162	6.9
248.11836	2.5
249.09209	2.5
249.12813	5.9
257.13135	3.4
258.10599	3.2
259.11099	2.8
261.12802	4.1
263.10681	2.9
263.14270	11.1
264.11465	2.3
265.12234	7.8
265.15768	3.8
267.10138	2.1
267.13931	2.4
271.14890	3.2
273.12799	8.5
274.13443	2.3
275.14307	3.0
277.15826	1.8
279.09888	1.9
279.17529	4.5
281.15222	4.4
283.13303	5.7
287.14291	3.4
289.15918	5.2
291.13760	15.4
293.11633	4.4
299.14346	1.8
301.15921	3.1
303.17352	2.0
305.15375	2.8
307.13666	2.5
307.16934	6.7
309.14920	9.0
315.13754	3.2
317.14911	1.8
318.97101	1.8
325.14432	5.0
331.16904	4.0
333.14755	6.5
339.17435	3.4
342.10599	1.8
343.15518	2.3
347.20010	2.4
351.15942	16.7
357.18506	6.5
367.19214	3.1
369.16968	9.6
373.21713	1.9
375.19589	17.8
377.17178	2.3
381.18387	1.8
385.17761	8.3
389.17395	1.8
391.22836	2.2
393.20551	10.7
399.19345	2.6
403.19086	43.3
404.19434	5.1
405.16959	3.3
417.20648	5.1
419.22211	9.6
421.20099	78.0
422.20383	7.8
427.18893	2.4
435.21875	9.8
437.23074	6.5
439.21182	31.9
440.21304	4.1
445.20105	17.8
451.21204	2.1
453.22156	3.7
457.22217	4.5
463.21173	52.8
464.21323	6.4
481.22198	63.9
481.29065	3.8
482.22333	8.2
499.23492	14.5
523.23340	2.4
541.23926	3.0
581.27081	6.3
599.27777	2.0
641.28571	2.7
646.37518	2.2
676.35632	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01871	1.9
55.05507	17.1
57.03440	17.4
60.76900	1.4
61.02920	4.5
67.05505	46.1
69.03426	4.0
69.07070	15.8
70.22134	4.3
71.04984	5.1
79.05060	2.8
79.05492	34.6
81.03419	48.1
81.06580	2.7
81.07057	54.5
83.04974	14.9
83.08620	20.9
85.02901	18.9
85.06550	1.7
91.03970	1.9
91.05475	27.8
93.07049	40.9
95.04966	19.8
95.08601	16.0
95.60303	1.2
97.02894	4.7
97.06509	6.4
97.10159	2.5
99.08130	1.7
105.07030	14.9
107.04938	4.5
107.08591	19.7
109.06513	4.1
109.10143	3.2
111.04435	1.5
111.08068	11.1
117.07020	4.1
119.08581	13.3
121.06448	1.6
121.10139	14.6
123.11691	1.7
125.09579	2.0
129.07031	7.5
131.08548	12.6
133.06464	1.7
133.10129	10.7
135.08102	1.6
135.11728	7.5
141.54147	1.2
142.07785	2.3
147.11685	10.3
149.09639	3.0
149.13264	16.6
157.10130	11.1
159.11726	9.7
165.12733	2.5
174.82431	1.4
175.11162	11.3
177.12747	3.4
193.12233	28.3
195.13809	7.3
199.98972	1.4
211.13292	36.7
212.13762	2.2
249.14865	1.5
267.15894	21.1
269.17465	68.3
270.17770	5.1
285.16956	32.4
286.17401	1.6
328.62302	1.4
435.27698	1.5
461.28958	39.6
462.29086	4.5
479.30026	100.0
480.30450	8.1
526.44122	1.6
545.75653	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.01870	2.3
55.05512	13.0
57.03437	10.9
57.07082	1.3
61.02926	3.3
63.62082	0.9
65.03936	0.9
67.05506	35.3
69.03434	3.5
69.07072	10.9
69.85031	3.1
71.04987	4.5
73.02926	1.3
79.05496	26.8
81.02924	1.6
81.03004	0.8
81.03418	41.8
81.07058	42.6
83.04984	11.2
83.08624	20.8
83.09116	1.2
85.02911	20.1
85.06535	3.4
91.03941	0.9
91.05480	28.4
93.07047	27.4
93.07626	1.6
95.04964	16.0
95.08607	13.2
97.02913	3.3
97.06538	5.4
97.10178	3.3
99.08096	2.1
105.07027	13.8
107.04972	4.2
107.08594	16.4
109.06524	3.0
109.10188	2.6
111.04437	1.2
111.08066	7.6
113.06033	2.0
117.07005	4.4
119.08591	11.0
121.06555	3.3
121.10143	10.0
123.08091	2.0
123.11707	3.1
125.09682	1.5
129.07016	7.3
129.07838	1.0
131.08569	9.8
132.09175	0.8
133.06516	2.4
133.10123	11.0
134.10477	1.0
135.08052	1.8
135.11708	3.2
142.07855	1.1
145.10158	1.3
147.08116	1.8
147.11670	8.3
149.09624	4.3
149.13281	7.9
151.11122	1.2
157.10182	9.9
159.11693	5.3
165.12778	2.4
175.11234	8.2
177.12778	1.9
183.65491	0.9
184.07378	0.9
193.12241	24.7
194.12505	1.3
195.13789	7.8
202.23364	0.9
204.42516	0.8
211.13287	37.9
212.13722	2.1
232.19841	0.9
267.15948	13.9
268.16138	1.1
269.17450	35.9
270.17917	3.4
285.16953	38.0
286.17349	2.2
443.27838	1.2
461.29041	17.0
462.29303	2.3
469.14948	1.8
470.15500	3.7
471.15787	2.1
472.16763	1.2
479.30057	100.0
480.30280	10.6
482.15646	2.9
483.15967	5.9
484.16736	8.0
485.17487	2.8
486.18652	2.1
496.16946	3.8
497.17862	8.3
498.18451	24.5
499.18530	5.9
511.19711	1.4
512.19934	3.5
529.16571	1.4
543.17993	1.4
556.19122	3.1
557.19696	3.2
558.20648	3.6
574.23346	0.9
644.24371	4.1
645.25000	4.2
646.24945	1.6
658.25830	3.1
661.24811	1.3
676.26843	79.9
677.26697	24.4
677.38715	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.9
56.05036	1.1
57.07072	0.4
58.06615	0.6
60.08162	6.8
67.05495	1.1
69.07064	0.8
70.06602	0.2
70.54186	0.2
71.07371	4.6
71.08608	0.4
79.05491	0.6
81.03410	0.9
81.07041	1.1
83.04985	0.5
83.08623	0.6
86.09704	34.4
87.10049	0.7
91.05459	0.8
93.07044	0.8
95.04974	0.4
95.08612	0.8
97.10146	0.5
98.22980	1.3
98.98469	5.2
98.99119	0.4
104.10733	2.4
105.07035	0.8
107.04942	0.3
107.08574	0.7
109.10179	0.5
111.08092	0.3
117.07043	0.2
119.08582	0.7
121.06516	0.2
121.10101	0.4
122.23046	0.2
125.00002	24.9
126.00356	0.2
126.52396	0.2
131.08583	0.3
133.10115	0.4
135.11714	0.2
143.01105	0.2
145.10074	0.2
147.08002	0.2
147.11713	0.3
155.08560	0.2
157.10100	0.3
163.11180	0.2
173.02159	0.2
175.11125	0.3
184.07336	100.0
185.07693	1.7
193.12180	0.3
237.43501	0.2
267.15948	0.5
268.16177	0.2
281.82446	0.2
355.15204	0.6
419.67407	0.3
503.36853	0.2
504.37720	2.6
505.38013	0.4
563.09052	0.3
676.35089	0.3
676.45435	5.5
677.44598	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46408	0.4
56.05032	0.8
58.06620	0.5
60.08164	7.2
67.05501	1.1
71.07381	4.4
79.05486	0.4
81.07063	0.5
86.09706	36.0
87.10078	0.7
96.07687	0.4
98.22548	0.7
98.98463	4.6
99.30048	0.4
104.10745	2.6
105.07120	0.3
107.08554	0.3
109.10181	0.7
125.00003	25.3
127.90742	0.4
184.07344	100.0
185.07642	1.7
246.15437	0.4
297.26367	0.3
301.74164	0.3
461.21439	0.4
475.92072	0.4
541.31232	0.6
676.45605	4.3
677.29437	1.0
677.44592	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.1
55.01868	0.1
55.05521	0.1
65.03938	1.8
67.05505	0.2
69.03429	0.2
69.58053	0.1
70.32199	0.2
70.32551	0.1
81.91451	0.1
83.04978	0.5
85.02921	0.1
91.05482	13.7
92.05806	0.3
93.03407	0.2
95.04981	0.4
111.04459	0.6
119.04945	28.4
120.05246	0.7
129.05501	0.2
139.03905	0.3
147.04410	100.0
148.04747	2.9
157.04932	0.2
165.05505	0.5
175.06137	0.1
273.05969	0.1
303.08658	1.6
321.09662	2.2
357.40408	0.1
447.11200	0.2
467.13312	1.7
468.13214	0.1
595.56854	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45679	1.6
56.18109	1.3
61.67933	1.2
69.13802	5.3
69.14219	5.0
70.06578	1.4
79.70422	1.6
80.20140	1.3
133.64395	1.8
137.06000	4.6
156.33159	1.3
163.07478	1.6
262.06656	1.4
287.27344	1.5
385.13123	1.4
388.15485	1.9
389.16162	3.2
402.17032	1.8
405.16650	1.5
408.19138	1.9
416.14914	2.0
417.15759	5.0
418.16156	2.1
421.19031	1.7
429.15692	5.2
430.16284	2.3
431.17438	5.7
432.18414	2.7
443.17551	2.9
444.18091	8.8
445.18689	4.3
446.19797	1.8
455.13599	3.4
459.16772	5.7
461.18573	2.1
470.15845	23.9
471.16592	7.6
472.13535	1.8
482.12326	2.0
486.15311	2.1
487.15936	9.5
488.16321	3.7
490.22137	3.9
491.22717	1.7
497.14398	11.3
498.15402	4.8
499.16327	2.1
501.18164	3.9
502.18497	35.5
503.18845	6.7
511.16040	1.6
515.15564	10.0
516.16492	4.6
518.21698	4.7
529.17316	2.9
530.17810	3.9
574.20898	2.4
575.20612	2.1
576.22021	3.3
589.22504	2.6
616.21716	14.4
617.21130	3.5
631.23724	3.3
634.22711	26.9
635.23535	37.1
636.23822	7.4
677.24567	100.0
678.24792	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26080	0.2
67.05513	0.3
69.31770	1.6
81.07046	0.2
119.20213	0.3
121.52172	0.3
149.02319	0.3
185.04210	0.5
193.26276	0.3
203.05324	1.2
259.07907	1.1
333.69290	0.3
347.09552	1.1
354.03345	0.3
365.10480	3.2
396.68094	0.3
421.13162	1.0
515.31903	20.5
516.32416	2.0
677.37128	100.0
678.37506	14.2
678.49487	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10735	0.3
71.31420	0.4
76.96839	0.3
96.09138	0.3
105.07076	0.3
116.46490	0.3
139.76172	0.3
160.57127	0.3
161.40053	0.3
172.45811	0.4
185.04277	0.7
256.26428	0.5
259.08084	0.4
347.09454	1.0
515.31891	21.3
516.31958	1.9
677.37140	100.0
678.37482	13.2
692.64648	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.05510	15.3
57.03431	8.9
57.07077	3.5
57.16082	1.7
61.02929	22.5
65.03939	3.9
67.05504	95.3
68.05824	1.4
69.03434	4.1
69.07065	14.6
69.29079	3.4
69.29488	6.4
71.04998	2.8
71.08615	1.5
73.02923	8.3
78.19904	1.6
79.05494	55.9
81.03407	3.8
81.07056	99.2
81.61993	1.9
82.07391	2.2
83.04993	1.9
83.08603	8.7
85.02905	19.1
85.06531	3.0
90.42971	1.4
91.03955	18.6
91.05479	26.8
92.22651	1.4
93.07043	66.4
93.44984	1.5
95.04966	3.7
95.08604	69.4
97.02906	10.5
97.06526	3.1
97.10177	5.0
98.23336	3.3
99.04453	1.4
99.08105	4.7
105.04482	2.2
105.07034	19.2
107.08586	37.6
109.06534	2.2
109.10157	39.9
109.19259	1.3
110.10527	1.8
111.08068	2.7
113.09602	2.2
117.07027	12.1
119.08578	19.9
121.10145	41.5
123.08070	2.3
123.11710	18.5
125.09676	2.6
127.03904	8.5
129.06960	2.0
131.08562	23.5
133.10126	14.8
135.11684	28.9
137.09641	2.7
137.13232	10.5
139.11186	3.5
145.04945	6.7
145.10123	17.7
147.11693	12.0
149.09584	2.3
149.13248	25.4
149.16756	1.3
151.11159	2.1
151.14799	3.3
151.43640	1.6
159.11684	14.0
161.13263	14.6
163.06033	11.9
163.11174	2.0
163.14824	17.5
164.95651	1.5
165.12773	4.1
171.11713	2.5
173.13249	16.4
175.14812	3.4
177.16397	5.3
179.14310	2.9
187.14836	10.8
191.14336	3.2
201.16399	5.3
201.38971	1.5
205.15886	2.7
215.17920	1.9
219.17462	1.6
233.22615	3.4
243.21080	32.7
244.21506	2.4
261.22131	100.0
262.22473	7.5
263.23654	2.1
267.68906	1.6
279.23193	5.2
317.24756	1.8
335.25781	35.6
336.26010	4.2
338.72940	1.5
353.26846	30.8
354.27316	3.5
357.89209	1.7
395.58878	1.4
497.30930	6.1
677.34009	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.1
57.03449	1.1
57.07060	1.6
67.05502	5.0
69.07059	2.1
71.04993	0.9
79.05505	2.1
81.03429	1.9
81.07048	4.5
83.08647	1.4
86.09711	1.2
91.05485	1.2
91.89851	0.9
93.07047	2.3
95.08578	2.6
97.10178	1.4
98.98460	2.3
105.07036	1.9
107.08624	1.1
109.10160	1.8
111.11742	1.0
119.08602	1.5
121.10180	1.7
125.00035	1.9
135.11671	1.1
147.11713	1.0
155.01080	0.9
159.11795	1.0
167.67725	0.8
169.12172	0.8
184.07344	7.1
185.26706	1.1
250.19937	0.9
430.33438	0.9
479.37259	2.2
491.37372	1.0
505.38644	2.7
541.29242	100.0
542.29553	12.6
652.15845	0.9
677.41577	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65707	0.1
55.05519	0.2
56.05035	0.7
58.06622	0.5
59.07389	0.2
60.08162	6.5
67.05503	0.3
70.06580	0.1
70.67882	0.3
70.68221	0.1
71.07373	3.5
72.92955	0.1
79.05477	0.3
80.97456	0.1
81.03405	0.3
81.07041	0.3
86.09702	32.2
87.10036	0.7
89.69542	0.1
91.05481	0.5
93.07027	0.3
95.04931	0.2
98.41298	0.1
98.98462	3.6
104.10742	2.7
104.11409	0.2
105.07009	0.4
107.08564	0.1
110.31783	0.1
119.08592	0.3
125.00001	21.7
126.00381	0.2
133.10136	0.4
143.01073	0.2
184.07336	100.0
185.07700	2.1
187.93393	0.1
211.13164	0.2
263.46338	0.1
273.61069	0.1
463.26990	0.2
468.23615	0.3
481.28241	0.3
512.59656	0.1
544.87939	0.1
660.34906	0.2
678.36060	6.9
679.36511	1.1
679.48114	0.1
679.50861	0.1
693.09363	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66541	0.8
53.03945	1.7
55.01872	2.9
55.05508	7.2
56.21256	0.9
57.03443	7.6
61.02936	1.6
63.95254	0.9
67.05506	30.3
69.03426	3.3
69.07056	6.6
69.09575	7.7
71.01352	0.8
71.04992	4.0
72.06744	0.9
78.51204	0.9
79.05059	1.4
79.05499	15.9
79.79487	0.8
81.03419	27.1
81.07058	23.9
81.56054	1.0
82.07416	1.0
83.04977	10.0
83.08621	8.2
85.02906	9.6
85.06556	4.0
91.05481	25.2
93.07053	13.2
95.04964	11.4
95.08617	5.1
97.02869	1.7
97.06534	2.7
97.10162	1.5
98.22616	1.6
99.04443	2.6
101.16821	0.9
105.07033	23.9
107.04980	1.6
107.07952	1.9
107.08598	19.0
109.06532	3.8
109.10158	34.1
109.32046	0.9
110.10545	1.6
111.04446	2.0
111.08085	3.4
113.06017	1.9
115.05447	0.9
119.08601	7.6
121.10143	3.1
123.08070	1.7
123.11691	6.1
125.09604	1.9
127.07554	1.6
128.06242	1.1
129.07036	3.0
131.08543	4.6
133.10124	45.9
134.10468	1.8
142.07823	1.1
147.08102	1.0
147.11691	5.8
147.61766	0.9
149.09650	2.2
151.11179	18.5
151.12311	1.5
157.10126	5.8
161.09622	1.2
165.12701	2.6
169.12230	3.6
173.09676	0.9
175.11188	5.6
184.07391	3.6
193.12244	16.4
194.12694	1.4
211.13286	34.7
212.13564	1.5
215.12839	1.7
217.17648	0.9
253.14345	100.0
254.14723	3.4
267.15848	6.9
271.15381	20.1
272.15701	2.2
285.16937	23.3
357.71143	1.1
445.25842	5.3
453.20850	1.0
463.26834	14.8
464.27100	2.2
467.19366	1.3
481.27927	49.8
482.28314	4.5
678.38379	2.0
679.32281	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49431	0.9
53.03943	4.6
55.01872	11.6
55.05510	20.6
57.03160	1.2
57.03437	23.7
57.07087	2.4
57.08260	0.9
58.04796	0.9
59.04988	1.2
61.02924	4.4
65.03940	1.9
67.05505	52.0
68.05836	1.5
69.03439	5.1
69.07063	13.7
69.92577	3.6
71.01347	4.7
71.04985	5.8
73.02917	3.8
79.05491	48.7
80.05811	2.0
81.03419	17.5
81.03863	1.6
81.07053	30.7
81.07528	2.1
81.35505	0.9
82.04202	3.8
83.04977	13.7
83.08619	10.4
85.02906	5.9
85.06544	6.0
86.09698	2.3
87.04439	1.0
91.03949	1.0
91.05477	27.0
92.05798	1.8
93.07040	51.0
95.04968	16.1
95.08609	11.7
97.02883	4.8
97.06529	15.3
97.10158	16.5
98.07333	4.5
98.22598	1.0
99.04459	1.9
99.08127	1.1
105.04506	1.3
105.07029	11.2
107.04966	7.0
107.08595	36.1
108.05781	0.9
108.36472	1.0
109.06522	2.8
109.10140	10.1
111.04425	1.2
111.08099	4.6
113.32361	1.0
116.04685	6.7
117.07008	7.5
119.08574	11.1
121.06499	3.0
121.10152	8.5
123.08080	4.2
125.09616	11.1
129.05469	13.3
129.07010	4.1
130.07797	1.7
131.08582	2.8
133.10141	9.3
135.08067	3.6
135.11693	60.0
136.12073	1.4
137.05981	1.1
137.09627	3.5
141.06999	1.0
143.07031	3.3
143.08681	1.1
145.10121	11.8
147.08051	1.9
147.11699	3.1
149.09584	1.9
151.11177	1.9
153.12762	3.8
155.08528	1.2
155.10699	1.4
157.08623	8.5
157.10133	3.9
159.11690	1.5
163.11183	13.1
171.06549	3.0
171.10196	2.8
173.09621	1.3
173.11745	3.0
175.11195	1.5
181.12234	16.9
183.11684	1.1
184.07364	7.8
189.11273	3.6
193.12239	4.0
199.13321	8.1
209.11720	5.5
210.12517	1.1
211.13315	2.6
227.12791	6.9
229.14355	1.3
253.14308	1.1
254.15067	1.4
255.15906	100.0
256.16235	4.6
265.14505	1.1
267.16028	6.8
268.16214	1.1
269.17517	1.3
270.17831	1.4
283.15359	7.0
284.80048	1.1
285.16711	1.4
301.16431	39.0
302.16763	1.8
309.16959	3.2
379.24780	2.7
397.25754	2.7
409.25931	8.3
410.26065	1.4
446.26685	1.3
447.27484	7.3
463.26688	7.4
464.27646	9.6
481.27908	87.4
482.28168	7.8
499.30423	1.2
678.23346	1.1
678.39825	2.1
679.32776	5.4
696.76196	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01895	0.3
55.05512	7.0
60.59509	0.2
61.02917	1.2
65.03964	0.2
68.99789	0.5
69.02539	2.0
69.03429	2.1
71.04977	1.3
83.04980	54.5
83.08617	0.4
84.05322	0.9
85.02904	1.8
85.03378	0.3
87.00820	0.3
91.03965	0.6
97.02884	0.4
99.04449	0.2
100.11256	1.9
101.06043	0.3
105.03356	0.3
107.04968	0.2
109.02844	0.4
111.00829	0.6
111.04439	50.9
112.04784	1.1
113.05995	0.5
121.02854	2.2
127.03909	0.4
129.05484	4.6
137.02321	0.4
147.04440	0.4
149.46048	0.2
153.01833	3.4
153.05458	6.1
165.01831	1.7
171.06522	11.2
172.06898	0.5
182.15421	0.5
183.02924	0.6
209.16505	0.5
210.14885	0.7
213.05507	1.1
231.06508	0.7
231.08617	5.7
232.09099	0.3
241.05037	0.5
258.05237	1.1
259.06042	0.3
287.05481	100.0
288.05814	5.6
329.06512	0.6
354.48782	0.2
433.93579	0.2
610.97968	0.2
661.50110	0.4
679.51031	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.9
55.01903	0.5
55.05516	12.0
57.02553	0.5
61.02937	0.6
62.10751	0.5
68.99797	0.7
69.03442	2.3
69.46661	0.4
70.30917	1.7
71.04995	1.9
73.60899	0.4
77.59413	0.5
81.03424	0.8
81.25838	0.5
83.04984	90.9
84.05303	1.6
85.02901	7.0
87.00814	0.4
97.02905	0.6
100.11263	5.5
105.03388	0.5
107.04939	0.6
109.02850	0.7
111.04446	80.1
112.04784	1.7
121.02863	2.3
127.03912	1.2
129.05478	8.1
137.05942	0.7
145.04984	0.5
146.67430	0.6
153.01849	3.2
153.05472	9.1
165.01866	1.3
171.06537	21.2
172.06845	0.7
182.15395	1.9
183.02945	0.7
185.05946	0.7
209.16531	1.5
210.14845	2.4
213.05437	1.6
231.06544	0.8
231.08653	9.9
232.08945	0.6
241.04874	0.7
258.05365	0.6
259.78159	0.5
287.05502	100.0
288.05807	4.5
433.20355	0.6
661.48773	0.6
679.51227	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98592	1.2
66.00998	1.1
69.48927	4.9
70.99886	1.0
82.99862	2.8
92.81448	1.1
101.00874	13.4
110.07137	1.5
119.01917	27.0
123.04426	2.2
125.77807	1.0
137.02959	2.4
143.01897	88.5
144.02028	4.6
161.02950	100.0
162.03119	7.7
163.03915	1.3
167.07051	3.0
177.05507	1.8
184.04607	3.0
197.08170	1.4
203.03918	24.8
204.04123	1.3
209.08125	1.4
227.09123	1.7
249.06252	1.2
351.10379	24.8
369.10312	28.5
370.10471	3.0
392.11691	1.3
411.11313	8.1
469.68469	1.2
517.15637	8.8
518.15863	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.5
60.75874	0.3
71.31979	0.5
74.14460	0.3
75.89089	0.3
81.07030	0.5
83.04973	0.4
83.73648	0.3
98.86106	0.3
103.48955	0.3
110.64612	0.3
126.85789	0.3
137.05986	0.6
171.92427	0.4
195.08191	0.3
221.63170	0.3
244.32985	0.4
363.34000	0.3
457.20114	0.4
475.20853	3.1
491.20850	0.4
517.22009	1.1
519.19916	7.0
520.20660	0.6
535.15216	0.3
535.22565	1.6
579.22113	4.0
580.22156	0.5
619.25421	0.8
635.28711	0.5
679.27197	100.0
680.27545	16.9
680.37329	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18959	0.5
55.26448	0.5
70.81016	0.6
71.31610	1.0
77.87472	0.5
81.07077	1.5
100.11257	0.8
137.06020	2.5
177.05528	0.5
243.27765	0.6
321.11548	0.6
323.12656	0.8
365.13666	1.1
501.18915	1.3
519.20074	1.6
579.22156	2.7
619.25330	0.6
625.95532	0.6
679.27148	100.0
680.16443	1.1
680.27557	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.33
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01873	0.6
55.05513	1.4
56.54416	0.3
57.03443	1.6
61.02926	3.8
67.05504	3.1
69.03438	2.5
69.07060	1.3
71.01363	0.4
71.05022	0.5
71.30449	0.4
73.02921	2.3
79.05491	3.8
81.03416	4.1
81.07059	3.3
82.07375	0.3
83.04958	1.6
83.08622	1.3
83.72054	0.3
85.02904	5.1
85.06507	0.3
86.09719	0.9
91.03963	2.0
91.05480	5.5
93.06121	0.3
93.07040	2.7
95.04968	2.1
95.08609	1.6
97.02898	4.2
97.06544	0.7
97.10165	0.3
99.04457	0.7
101.02386	1.3
103.03919	0.4
103.05500	0.4
105.07027	2.7
107.04968	1.0
107.08598	0.8
109.02875	0.8
109.06532	0.9
109.10165	0.6
111.04437	0.5
111.08088	0.5
112.49195	0.2
113.66556	0.3
115.03923	0.4
116.99780	0.3
117.07013	0.5
119.08585	2.5
120.08961	0.2
121.06473	0.4
121.10150	0.9
123.08086	0.3
125.00019	0.4
127.03919	1.3
129.06987	1.5
131.04955	1.5
131.08583	1.4
131.98068	0.2
133.10114	2.2
135.11713	0.4
137.09692	0.3
145.10146	0.7
147.11676	1.6
149.09641	0.8
157.10121	1.6
158.98027	0.3
163.11203	0.5
168.22658	0.3
175.11232	1.0
184.07346	2.4
185.04247	0.5
185.07635	0.4
193.12193	1.5
203.05219	0.4
209.90965	0.3
211.13174	0.5
213.11177	0.2
233.11523	0.6
243.08362	1.6
251.12581	0.5
267.15979	0.7
274.31921	0.3
285.17236	0.3
307.15317	0.4
333.40408	0.3
350.99442	0.2
355.15482	0.4
387.18005	1.2
451.19376	6.6
452.19788	0.6
465.21527	0.3
465.28445	0.4
469.20377	5.7
470.20840	0.7
517.27844	0.4
679.32880	100.0
680.33252	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3663
Annotation	Hovetrichoside H
Peak:m/z	Relative Intensity
50.66301	0.5
55.05512	0.9
56.40280	0.4
67.05504	2.1
70.55840	1.2
79.05514	1.2
80.02409	1.3
81.03429	1.2
81.07047	1.2
83.04993	0.7
83.08625	0.8
85.02922	0.7
85.06515	0.5
86.09722	1.3
91.05470	2.2
93.07059	1.9
95.04984	1.2
95.08638	0.8
97.06522	0.5
100.11258	0.9
105.07087	0.6
107.04736	1.6
107.08649	0.8
108.05536	0.7
109.09312	0.5
109.10123	1.0
119.08608	1.2
125.00008	1.2
131.08568	0.6
133.10155	0.9
135.07860	1.7
135.11803	0.6
145.10152	0.5
149.09486	1.0
151.07501	0.9
151.11110	0.8
157.10191	0.6
163.11139	0.4
167.56070	0.5
167.57327	0.6
175.11192	0.5
177.08925	0.6
177.12598	0.7
184.07323	3.9
186.46974	0.5
193.12331	1.3
203.14059	0.8
209.77934	0.5
210.14951	0.6
211.13356	1.4
219.13568	5.1
220.10767	0.7
221.15213	1.1
231.09918	5.0
232.10512	0.6
247.13089	6.9
255.16193	0.5
259.39505	0.5
261.14642	0.5
261.18405	0.6
265.14288	0.7
267.15884	0.5
274.15631	0.6
275.16150	0.5
285.17004	1.0
289.21408	3.3
290.18579	0.7
303.22971	1.2
305.20789	2.4
315.19504	0.7
316.20129	1.0
319.22507	1.1
319.44891	0.5
331.22467	1.2
333.20264	5.6
334.21201	0.6
347.22006	2.2
385.23627	1.1
386.24213	0.7
399.25278	1.0
404.31934	0.5
439.27155	1.8
446.26715	0.7
453.28922	1.2
454.30490	14.8
454.36887	0.7
455.31418	3.9
465.28632	0.7
470.30087	9.4
471.30664	6.1
472.31122	0.8
480.28522	1.2
481.29370	4.1
482.28915	0.9
483.28455	0.8
498.29504	14.9
499.30289	11.6
500.30762	1.5
516.30701	0.8
517.30939	3.0
518.30432	0.5
617.36670	8.4
618.37183	0.9
633.36017	12.1
634.36639	1.7
643.34985	1.4
661.35571	45.0
662.35791	6.9
679.36621	100.0
680.36884	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
55.01866	0.5
55.05512	1.5
56.02017	0.3
57.03440	0.3
61.02924	0.6
67.05505	0.8
69.03422	1.2
69.07081	0.3
69.07368	2.2
71.04952	0.4
78.24773	0.3
79.05492	0.9
81.03407	1.1
81.07053	0.6
83.05003	1.3
85.02904	3.3
91.03949	0.4
91.05466	0.4
93.07066	0.7
95.04976	0.3
97.02898	1.4
98.22620	0.6
103.05484	1.9
104.05798	0.3
105.07034	0.3
106.75886	0.3
107.08601	0.4
127.03912	0.6
131.04926	4.5
132.05238	1.6
133.06427	0.3
133.10138	0.3
135.11740	0.4
139.32285	0.2
145.04906	0.4
145.06493	0.9
147.11739	0.3
148.79648	0.3
153.07008	0.4
159.98065	0.2
165.07034	1.6
167.08498	0.4
169.06458	0.4
178.07768	0.5
179.08560	1.4
180.08682	0.5
181.06461	1.2
182.07370	0.5
183.08096	1.3
183.72673	0.3
184.05199	0.6
189.07007	0.3
190.07834	0.4
191.08615	0.5
193.06468	0.7
193.10097	0.5
194.07306	0.7
195.08043	0.9
196.05208	0.3
196.08871	0.8
197.05971	1.9
197.09554	0.5
198.06679	0.7
199.07518	2.1
203.08635	0.3
205.06494	0.5
206.07324	0.5
207.08029	2.9
208.08865	0.6
209.06042	1.3
209.09564	1.6
210.06764	3.7
211.07529	4.2
211.11212	1.1
212.04674	0.6
212.08223	0.6
213.09056	0.8
217.06442	0.3
218.07336	0.7
219.08109	0.4
220.05157	0.3
221.05969	0.7
221.09671	1.3
222.06772	0.9
223.04028	0.3
223.07442	1.4
224.04776	0.3
224.08316	4.6
225.05519	0.7
225.09096	1.2
226.06265	1.6
226.09741	0.6
227.07005	2.9
228.07695	0.4
232.08884	0.5
233.05954	0.5
233.09615	0.6
234.06870	0.7
235.07530	4.2
236.08267	1.7
237.05446	1.2
237.09102	3.3
238.06253	1.4
238.09869	1.0
239.07027	2.9
239.10643	5.6
240.04216	0.3
240.07803	2.7
240.11147	0.4
241.04970	0.9
241.08572	3.6
242.05598	0.5
243.06531	0.5
247.07498	0.7
247.11270	0.3
248.08289	0.7
249.05519	0.4
249.09073	1.8
250.06203	0.8
250.09895	1.1
251.07031	1.9
251.10681	0.6
252.07808	3.9
253.05006	1.5
253.08543	1.7
254.05713	1.8
254.09325	2.1
255.06509	2.7
255.10164	0.4
256.07358	1.6
257.08109	1.2
259.07599	0.3
260.08472	0.4
261.09088	1.1
263.07056	3.0
263.10699	0.5
264.07828	0.8
265.04797	0.3
265.05521	0.4
265.08609	5.7
265.12158	1.0
266.06042	0.5
266.09344	2.1
267.06613	3.1
267.10168	12.0
268.07309	5.7
268.10596	1.2
269.04626	0.6
269.08047	3.7
269.11734	2.7
270.05319	1.4
270.08765	0.9
271.06042	1.0
271.09631	1.6
272.06973	0.4
277.08539	1.4
278.06027	0.6
278.09360	1.1
279.06537	0.8
279.10147	2.0
280.07275	1.4
280.10596	0.5
281.04724	0.4
281.08057	1.9
281.11377	0.5
282.05637	0.4
282.08789	3.8
283.06012	1.8
283.09573	1.1
284.06793	3.1
284.10294	0.7
285.07578	5.9
285.10812	0.5
286.05057	0.6
286.08228	1.4
287.09125	1.0
291.06686	0.5
291.10172	0.9
292.10855	0.5
293.08066	3.0
293.11710	1.6
294.08832	1.7
294.11819	0.4
295.06143	0.7
295.09607	8.1
295.13040	0.6
296.06757	1.2
296.10297	1.9
297.07599	3.5
297.11224	16.0
298.08304	2.4
298.11676	1.3
299.05930	0.2
299.09152	6.8
299.12708	0.9
300.06232	1.0
300.09720	1.0
301.07040	1.3
301.10672	1.7
305.08075	0.4
306.08609	0.4
307.09683	1.1
308.10376	0.7
309.07721	0.5
309.11200	1.0
310.08408	1.3
310.11588	0.3
311.09134	2.0
311.12784	0.8
312.06403	0.5
312.09589	1.3
313.07037	3.6
313.10681	1.1
314.07730	0.9
314.11533	0.6
315.08670	3.3
315.12125	0.5
316.09344	0.7
317.10495	0.3
319.09479	0.3
320.10370	0.8
321.11172	1.4
322.11847	0.4
323.09152	0.8
323.12851	1.1
325.10690	23.2
326.11221	3.2
327.08582	6.1
327.12308	5.5
328.09348	5.5
328.12823	0.6
329.06522	1.6
329.10168	5.0
329.13907	1.0
336.09821	0.6
337.10596	0.7
338.11496	0.7
339.12186	1.4
341.13870	0.9
342.10834	1.8
343.11771	1.1
344.08829	2.1
351.12262	2.0
352.12796	0.8
353.10080	0.4
353.13840	2.9
354.14493	0.3
355.15741	0.4
357.13303	27.4
358.13681	2.7
359.11224	10.9
360.11615	1.0
368.12509	0.7
369.13333	0.9
371.14890	6.3
372.15219	0.7
383.14859	3.4
384.15317	0.5
387.17886	0.6
388.18494	0.9
401.15924	100.0
402.16278	9.7
451.27109	0.4
483.28693	0.5
680.32520	0.5
681.34308	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.3
62.85508	0.6
69.03428	0.7
69.21347	4.0
83.04987	1.1
85.02901	0.9
100.11250	3.4
118.97778	0.5
141.40141	0.5
142.02516	0.5
143.32518	0.6
153.05501	0.6
158.19647	0.5
179.08481	0.8
181.06503	0.6
182.15448	1.3
183.06165	0.5
183.07918	1.0
193.06380	0.6
194.07278	0.6
195.08060	0.6
196.08771	0.7
197.06009	0.7
198.06783	0.8
199.07567	1.4
199.73735	0.6
207.08083	1.5
209.05920	1.0
209.09683	1.0
209.16591	0.7
210.06725	1.7
210.14740	1.0
211.07544	1.7
211.15201	0.6
212.08125	0.5
213.05421	0.6
213.09218	0.6
219.07901	0.6
221.09616	1.0
222.06847	1.0
223.07469	0.6
224.08235	3.0
225.05484	0.9
225.09048	0.7
226.06155	0.8
227.07011	2.2
233.05998	0.9
233.09566	1.5
235.07582	2.8
236.08330	1.5
237.05360	1.2
237.09087	3.1
238.06316	1.2
238.09656	0.8
239.07036	1.5
239.10735	2.3
240.07845	2.2
241.04913	0.7
241.08603	2.7
243.06596	0.7
247.04532	0.6
247.07509	1.3
249.05269	0.6
249.09163	1.5
250.06302	0.8
250.09944	1.4
251.06981	1.9
251.10725	0.9
252.07794	3.8
253.05055	1.3
253.08563	1.7
254.05611	0.8
254.09375	1.6
255.06525	4.2
255.10205	0.8
256.07318	0.7
257.04196	0.5
261.09106	1.6
262.09717	0.7
263.07031	3.1
263.10556	0.7
264.07819	1.9
265.04984	1.1
265.08588	3.6
265.11993	1.2
266.05957	0.8
266.09311	1.9
267.06607	2.3
267.10150	7.3
268.07327	2.3
269.05423	0.6
269.08008	3.6
269.11731	2.0
270.05292	1.9
270.08615	0.9
271.05991	1.7
271.09528	1.0
275.10132	0.6
277.08560	2.4
278.09363	4.3
279.06625	0.9
279.10056	1.8
280.07346	2.5
280.10394	0.8
281.08051	2.6
281.11551	0.7
282.05612	0.5
282.08716	3.1
283.06006	4.1
283.09637	3.7
284.06808	1.9
284.10291	1.2
285.07541	6.3
285.10587	1.0
286.08151	0.9
287.08987	1.0
289.08548	0.8
291.06711	1.3
291.10132	2.2
293.08102	2.7
293.11688	3.8
294.08917	1.1
295.06070	1.4
295.09570	9.3
296.06937	0.8
296.10324	1.9
297.07581	4.2
297.11194	7.5
298.08359	15.0
298.11584	0.7
299.09155	7.3
299.12430	1.1
300.06323	1.3
301.06998	1.9
301.10703	1.4
305.08130	2.2
306.08817	2.0
307.09662	2.3
308.06708	0.8
308.10287	1.3
309.07477	2.2
309.11273	1.8
310.08182	1.4
311.05444	1.5
311.09164	4.2
312.06577	0.9
312.09882	3.6
313.07059	3.9
313.10709	9.3
314.11005	0.9
315.08618	3.0
319.09650	0.7
320.10397	2.0
321.07703	1.0
321.11148	6.6
322.08279	1.0
322.11844	1.0
323.09094	2.4
323.12735	1.4
325.10657	9.4
325.13989	0.7
326.07846	4.6
326.11398	3.0
327.08578	5.0
327.12286	8.6
328.09384	4.0
329.06497	1.3
329.10150	3.2
336.09940	3.0
337.10577	4.0
338.11462	2.0
339.12100	1.1
341.06024	1.2
341.10196	23.8
342.10938	6.5
343.11493	1.4
344.08957	1.3
351.12350	7.1
352.12991	2.2
353.10303	1.0
353.13846	4.6
355.15305	0.7
357.13351	16.3
358.13727	1.7
359.11166	5.7
368.12668	1.2
369.13330	9.7
381.13260	0.7
383.09955	0.7
383.14914	12.1
384.15076	0.8
401.15936	100.0
402.11432	1.0
402.16315	8.9
425.15793	1.2
459.29706	0.5
663.37048	1.4
679.51074	1.8
680.50952	1.2
681.38129	2.8
698.73962	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.2
55.05510	27.6
62.51849	6.3
64.75158	6.5
67.05507	62.4
69.07070	41.7
71.08630	47.4
71.30094	7.2
72.11347	5.9
78.45485	5.8
79.05498	59.9
81.03394	6.9
81.07055	100.0
83.04986	20.5
83.08605	22.4
91.05476	64.8
93.07044	88.7
95.04964	12.1
95.08601	85.1
97.06515	14.7
99.08083	24.7
105.07030	65.2
107.08598	60.2
109.06532	11.4
109.10155	42.2
111.04435	9.5
111.08106	8.9
117.07005	16.6
119.08584	58.9
121.06523	6.5
121.10170	50.4
123.11717	17.3
129.07024	13.2
131.08562	23.0
133.10129	51.0
135.08113	6.5
135.11674	40.0
139.07556	8.7
141.06941	7.9
143.08585	25.4
145.10086	37.0
147.11662	37.1
149.13239	15.4
151.11191	21.5
155.08548	17.1
157.10146	24.9
159.11765	34.2
161.09613	7.9
161.13243	15.5
163.11246	16.5
163.14919	7.1
167.08554	9.1
169.10126	18.9
171.11688	17.2
175.14880	9.0
179.14276	61.2
181.10120	9.5
183.11681	15.7
184.07391	16.0
185.13313	16.2
189.16376	17.7
193.10063	9.0
195.11862	10.4
197.13263	18.9
201.16365	14.6
203.17992	14.8
209.13156	14.4
211.14728	10.4
213.16382	7.9
221.13274	11.6
222.10237	7.2
233.13205	9.3
259.20508	8.3
267.13904	7.2
269.17365	9.3
271.58331	6.5
277.21603	45.8
327.17587	7.0
351.25363	32.8
395.50607	6.2
413.14697	6.6
459.18576	6.2
459.25018	8.7
545.38269	71.8
627.45685	26.2
645.42999	12.6
663.44617	31.6
680.43683	15.5
681.44458	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
54.44910	0.3
55.05513	1.4
57.03431	1.2
61.02927	3.7
61.06115	0.3
67.05507	3.3
67.64037	0.4
69.03428	2.5
69.07049	0.9
69.35137	2.2
71.01331	0.4
71.04987	0.9
73.02909	3.1
73.23315	0.3
79.05500	2.4
81.03410	2.9
81.07056	4.0
83.05000	0.7
83.08617	1.5
85.02901	4.1
91.03965	2.1
91.05467	2.9
92.63718	0.4
93.07038	2.8
95.04978	1.5
95.08609	1.5
97.02899	3.3
97.06533	0.8
99.04443	0.7
101.02383	1.4
105.07021	1.2
107.08573	1.7
107.64924	0.4
109.02886	0.7
109.10169	0.7
109.93512	0.4
111.08100	0.4
119.08576	1.7
121.10164	1.3
127.03912	0.9
129.06992	0.5
131.08566	1.1
133.10173	1.1
134.16733	0.4
134.39850	0.4
135.11691	0.5
139.50737	0.4
147.11673	1.1
149.09621	0.5
149.13303	1.1
157.10126	0.9
159.11664	0.6
175.11235	0.8
185.04170	0.5
193.12276	1.2
195.13794	0.4
211.13370	0.4
220.90471	0.4
235.13110	1.2
243.08369	2.0
251.12688	0.5
265.16061	0.4
269.17572	0.7
283.14948	0.4
307.15234	0.6
319.48691	0.4
320.33972	0.4
351.12564	0.3
453.20999	4.5
469.20398	7.1
470.20871	0.8
500.34457	0.7
501.19067	0.4
502.16229	0.4
639.40375	0.4
681.34436	100.0
682.34802	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3817
Annotation	Tenuifolin
Peak:m/z	Relative Intensity
54.39312	0.6
58.19929	0.6
59.01533	0.7
61.10282	0.6
65.08984	0.6
67.05526	1.5
69.57007	3.4
69.57417	1.0
79.05484	1.0
81.03412	2.1
81.07062	1.5
89.08344	0.7
89.33158	0.7
91.05470	1.8
93.07078	1.2
95.04978	1.1
96.01819	0.7
100.11239	0.8
105.07040	1.2
107.08637	1.1
109.10180	1.4
111.08069	0.8
119.08591	1.1
121.10176	0.8
133.10167	0.8
137.05832	0.7
179.10500	1.4
184.07368	1.7
193.12210	1.0
207.10028	2.2
221.11783	0.8
231.09966	6.2
263.16312	1.6
273.17267	0.8
291.23065	1.8
307.22629	0.8
322.10110	0.9
333.23822	1.5
335.21860	4.1
344.19614	1.3
345.20526	2.1
349.23700	1.8
351.23831	0.9
438.31357	0.8
455.30438	1.4
456.32132	16.0
457.32474	3.4
459.27484	3.1
472.31888	5.2
473.32306	3.7
482.30261	4.2
483.31052	3.3
500.31125	14.6
501.31766	8.0
507.26031	1.3
519.32086	3.4
619.38043	15.2
620.38690	1.7
635.37451	6.8
636.38165	0.9
645.36267	4.8
663.28333	0.6
663.37115	67.9
664.37524	12.7
681.38220	100.0
682.38464	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51130	3.5
53.03946	5.6
55.01878	4.6
55.05504	34.4
57.07076	6.0
67.05503	55.1
69.03386	4.5
69.07070	45.5
71.04992	5.1
79.05495	42.2
81.07056	71.9
83.04971	35.6
83.08610	10.3
86.77429	4.2
86.86529	3.7
91.05481	54.2
92.05817	5.5
93.07039	78.9
94.07378	4.2
95.04965	12.0
95.08611	97.5
95.75046	3.8
97.06549	5.6
97.10169	5.5
98.23354	8.2
105.04541	4.1
105.07032	90.7
106.07369	4.3
107.08603	78.2
108.08850	4.8
109.06499	6.2
109.10162	46.0
111.04441	21.6
111.08075	22.8
115.05434	8.2
117.07013	23.3
119.08582	90.9
120.08977	4.6
121.06482	4.9
121.10151	48.9
122.10464	5.8
123.08057	9.1
123.11698	24.4
128.06210	8.1
129.06989	21.0
130.07802	6.8
131.08572	43.6
133.06436	5.3
133.10130	91.6
135.08031	6.3
135.11678	43.4
136.12019	3.9
139.07544	18.4
141.06999	9.7
141.09102	4.5
142.07796	16.0
143.08546	41.9
145.06496	7.5
145.10124	75.2
146.10583	7.2
147.08057	11.2
147.11685	67.3
149.09680	11.1
149.13289	18.6
153.07030	5.5
155.08548	34.3
156.09384	11.7
157.10139	45.8
158.10941	6.9
159.08089	12.4
159.11685	43.0
161.09668	15.9
161.13234	23.4
161.34026	3.8
163.14818	7.4
165.07016	6.8
167.08607	15.2
168.09377	8.1
169.10150	43.1
170.10919	7.1
171.11710	45.0
173.09613	20.8
173.13235	21.8
175.11182	8.9
175.14865	16.2
177.16495	20.1
179.08560	8.6
180.09282	8.9
181.10112	26.5
182.10931	12.6
183.11656	26.4
184.12343	6.1
185.09607	12.8
185.13217	28.7
187.11194	12.6
187.14879	12.0
189.12740	7.0
189.16386	53.0
190.16754	5.0
191.17897	7.2
192.09390	5.3
193.10181	22.3
194.10870	9.9
195.08147	4.4
195.11688	23.4
196.12520	7.3
197.09596	7.9
197.13255	23.8
198.13858	4.6
199.11188	6.8
199.14857	16.2
201.12750	11.4
201.16391	27.2
203.17911	35.7
204.18312	5.7
205.10181	9.0
205.12141	5.4
206.10909	8.0
207.11787	30.7
209.09721	8.0
209.13196	25.9
210.13953	4.3
211.11192	12.7
211.14821	15.9
213.12692	10.1
213.16385	13.3
215.10774	6.9
215.14310	8.1
215.17960	13.0
217.10210	9.3
219.11731	19.9
220.12373	5.6
221.13274	17.0
223.11172	6.0
223.14868	13.7
225.12770	16.8
225.16228	9.4
227.14395	11.5
227.18004	9.9
229.10124	6.0
229.15875	4.6
230.10942	5.9
231.11687	8.0
231.13881	6.5
232.12372	6.6
233.13300	12.8
235.11168	6.9
235.14796	10.8
236.82932	4.0
237.12756	10.4
237.16368	13.6
239.14265	15.3
239.18060	6.0
243.11664	6.4
244.12440	7.8
245.13181	14.3
245.15408	10.9
246.13858	7.5
247.14806	12.5
249.16499	10.7
250.13528	4.1
251.14262	10.5
251.18088	9.1
253.15837	5.6
257.13123	10.5
257.15524	7.8
259.14807	10.0
261.16406	14.4
265.15854	6.2
267.14066	6.6
267.17352	4.8
271.14594	7.6
272.15375	6.2
273.16309	8.3
275.17932	7.6
277.15924	10.1
279.17474	5.3
283.17191	6.5
283.24396	5.6
284.15192	6.8
285.16315	8.9
287.17935	8.8
288.18631	5.0
289.16226	5.0
289.19577	6.4
295.17206	6.6
299.17865	4.9
301.19485	11.4
303.20856	7.0
305.18945	6.4
305.22418	4.2
307.16980	5.8
309.18640	4.7
313.17950	10.9
317.19150	4.8
319.20508	4.9
321.25940	7.8
327.20120	5.7
329.18835	5.2
363.23001	6.3
363.27365	7.2
381.27966	18.9
401.24237	6.4
401.28815	6.6
413.24652	4.8
415.26080	5.4
419.29517	14.8
420.29803	7.0
437.25073	7.1
437.30923	7.9
443.25830	7.2
455.25397	7.2
459.25314	16.7
460.25467	13.0
461.26828	19.3
473.26822	11.5
475.28299	4.3
523.35504	7.4
589.36725	5.5
603.42017	19.1
607.37476	7.8
617.43243	12.4
619.44769	7.2
621.42603	11.9
627.42017	8.9
628.41931	5.7
635.44281	15.5
637.45728	7.1
645.43109	46.4
646.42896	11.4
663.44147	100.0
664.44415	31.0
681.45093	57.3
682.45123	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	3.2
50.20817	2.8
53.03932	6.7
55.05504	25.0
57.07061	8.6
57.12027	2.7
65.03912	3.8
67.05503	46.1
69.03431	7.2
69.07063	25.0
70.97099	3.8
71.05008	4.5
71.30183	3.5
76.01049	3.0
79.05487	32.8
81.07056	58.5
83.04987	37.1
83.08614	8.1
91.05476	52.6
91.65867	3.3
93.07038	95.1
94.07377	4.3
95.04946	13.0
95.08602	100.0
96.08919	5.4
97.06528	5.4
97.10133	4.4
105.04530	3.7
105.06385	4.5
105.07035	66.3
106.31841	3.0
107.08593	57.3
108.08878	3.8
109.06497	10.9
109.10155	37.3
111.04422	16.0
111.08075	21.9
115.05470	5.5
116.06280	3.2
117.07018	21.3
119.07769	6.0
119.08576	77.7
120.08952	3.8
121.06506	9.8
121.10133	66.6
121.82374	2.8
123.08069	8.6
123.11695	14.6
125.00007	3.7
128.06207	7.7
129.07030	16.5
130.07787	6.1
131.08542	51.4
133.06488	6.2
133.10123	56.0
135.08041	17.5
135.11676	29.1
137.05963	5.0
137.09616	4.6
137.13206	3.3
139.07555	17.2
141.06982	12.4
142.07777	11.6
143.08562	34.8
144.09296	5.7
145.06473	10.6
145.10118	69.1
146.10719	3.2
147.08038	10.1
147.11684	45.3
149.09618	10.2
149.13171	7.2
151.11287	3.7
153.06961	5.3
154.07787	3.3
155.08578	21.3
156.09312	17.3
157.06490	7.5
157.10126	40.5
157.84795	3.6
158.10791	3.4
159.08037	15.6
159.11685	42.0
161.09595	10.2
161.13254	13.6
163.11116	3.0
163.14804	7.3
165.06995	6.4
166.07834	5.5
167.08560	10.9
168.09322	7.0
169.10136	27.4
170.10817	7.2
171.08054	10.9
171.11705	35.3
172.08803	4.0
173.09596	11.2
173.13237	23.1
175.11153	10.5
175.14774	17.4
177.16383	34.8
178.07716	3.8
179.08551	16.5
180.09187	3.2
181.10162	21.4
182.10925	4.6
183.08009	4.1
183.11700	24.6
184.07285	12.5
184.12387	4.8
185.09613	10.5
185.13274	24.1
187.11156	11.4
187.14815	29.1
189.12787	4.8
189.16357	12.7
192.09340	4.4
193.10150	18.9
194.10893	4.9
195.08038	6.2
195.11681	19.3
196.12415	6.3
197.13219	23.7
198.13928	4.4
199.11125	19.7
199.14856	22.1
201.12730	9.9
201.16327	30.3
203.08595	4.3
203.14264	5.4
203.17926	14.8
205.10097	10.1
205.12151	5.2
205.15848	6.3
206.10921	7.6
207.11668	20.6
208.12415	5.2
209.09563	7.7
209.13232	27.6
210.10368	5.8
210.13774	3.7
211.11253	9.8
211.14827	15.8
213.12697	11.6
213.16312	8.4
215.14252	8.1
215.17984	4.9
217.10226	6.1
217.12138	4.3
217.15862	4.8
218.10901	5.5
219.11699	16.2
219.13487	3.3
219.17416	4.0
220.12411	6.3
221.09692	4.4
221.13274	20.5
222.13629	3.0
223.11176	10.3
223.14809	15.3
225.12677	10.6
225.16409	7.5
227.14246	8.5
229.09970	4.3
229.16016	4.0
230.10835	4.4
231.11604	11.5
232.12349	5.1
233.09576	6.8
233.13252	13.6
233.15384	4.7
235.11162	6.4
235.14862	9.9
236.11884	4.3
237.12628	4.9
237.16284	5.7
239.14313	12.5
241.15904	5.5
243.11618	5.7
245.13245	11.8
245.15408	7.6
246.13878	4.9
247.11133	9.5
247.14784	15.7
249.12772	3.6
249.16330	9.5
250.17062	4.0
251.17906	6.8
253.15805	5.8
253.19688	4.4
255.17693	3.3
256.12323	3.9
257.13153	8.8
257.15488	5.2
259.14761	10.9
260.15417	5.2
261.12817	8.0
261.16425	14.6
262.17087	4.1
263.14240	5.7
263.17877	6.3
264.18695	3.6
265.15860	9.4
265.19550	3.8
267.13800	4.0
269.13071	4.6
271.14664	7.6
272.15335	4.2
273.12659	6.1
273.16309	11.5
275.14218	10.5
275.17819	8.3
277.15829	10.6
277.19278	5.6
279.17322	5.8
283.14514	5.2
285.16266	6.4
287.14255	5.5
287.17834	5.8
289.15778	8.1
289.19431	10.1
291.17212	5.2
295.16858	6.9
299.14264	5.4
300.18588	3.8
301.19363	5.9
302.16415	5.1
303.17316	10.4
303.20822	4.5
317.19049	5.8
317.22723	4.0
319.20590	4.2
325.15964	3.9
327.17300	6.2
329.19070	6.8
329.23190	3.4
331.20612	4.3
339.20834	3.9
343.20270	5.8
345.22095	5.2
347.19901	5.8
359.23541	4.0
363.22852	5.5
401.28604	7.2
415.26392	6.9
417.27658	5.4
419.29324	12.1
425.24551	6.4
431.25198	4.2
437.30780	4.3
441.27811	4.6
443.25812	26.2
444.25504	3.9
445.27136	3.6
447.29428	4.6
457.27148	4.0
459.29205	5.9
461.26660	23.5
475.28271	4.5
487.27826	4.1
509.33548	4.1
540.39380	5.0
541.37451	4.7
603.39691	5.8
617.43225	12.5
619.44861	5.8
621.42279	10.2
627.42145	16.2
635.44275	13.8
637.45563	5.8
645.42975	55.1
646.43152	11.3
663.43933	86.5
664.43829	11.5
681.44891	53.2
682.45477	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00080	0.1
53.00313	0.5
55.01875	1.0
55.05498	0.4
56.29605	0.2
57.03427	1.1
61.02904	0.4
65.03928	0.5
67.05494	0.7
68.99780	0.5
69.03431	1.5
69.45999	0.7
69.46406	0.4
71.01347	0.2
71.04972	0.1
73.02912	1.4
73.62545	0.2
79.05499	0.3
81.03407	0.2
83.08601	0.4
85.02904	2.8
91.05501	0.2
93.03391	0.9
95.04945	0.2
97.02890	1.7
98.12005	0.2
100.07558	0.2
100.11264	1.3
103.05473	0.3
105.07031	0.3
109.02863	0.6
111.04430	0.4
111.17319	0.2
115.03926	0.7
115.05426	0.2
117.07019	0.2
121.02888	1.0
123.04438	1.0
127.03922	0.5
128.06227	0.5
128.07103	0.2
129.06996	3.4
131.04926	1.5
133.04967	0.8
133.06477	0.9
135.04419	3.4
137.05931	0.2
139.03899	1.3
145.04933	0.6
145.06483	0.8
151.03897	100.0
152.04228	2.7
157.05174	0.3
157.06480	5.4
158.07033	0.2
161.05972	3.0
163.05972	0.3
165.05504	0.2
172.05167	0.2
173.05960	2.0
175.03920	0.5
175.07568	0.6
182.15390	0.6
183.15822	0.2
185.05959	1.5
187.07541	3.4
191.03448	0.2
200.01817	0.2
203.07019	1.7
205.08356	0.2
209.16548	0.2
210.14876	0.7
211.15134	0.4
215.07022	9.8
216.07353	0.5
221.08118	2.1
233.08083	5.8
234.08406	0.3
247.07549	0.2
253.08691	0.3
277.08542	0.2
285.07529	0.3
295.09680	0.3
297.11166	0.2
305.08075	0.8
323.08817	0.2
325.10809	0.8
335.09128	2.2
343.11725	0.3
349.05600	0.2
353.10162	5.6
354.10529	0.4
354.14413	0.2
371.11221	37.5
372.11566	3.2
385.16479	0.4
403.17453	0.7
663.48700	0.3
681.49945	2.0
682.50006	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95758	0.8
53.03942	1.2
55.05511	17.6
57.03442	1.3
57.43759	0.8
58.84014	0.9
61.02917	1.0
67.05506	1.5
69.03416	2.2
73.02849	0.8
81.02124	0.9
81.03410	2.2
81.07065	1.3
83.04981	29.3
84.05316	1.0
85.02897	7.8
89.97733	0.9
91.43047	0.9
93.07028	1.3
95.04972	0.9
97.02896	3.3
105.07007	1.2
106.65493	0.8
109.02847	1.9
117.07043	1.0
121.10181	1.0
127.03895	1.6
128.81941	1.0
133.37328	0.9
144.47762	1.1
145.04968	1.5
151.72906	1.1
161.05984	2.8
195.10153	1.1
197.06007	1.2
211.07639	2.0
212.08264	1.4
213.05492	2.2
215.06915	0.9
221.09650	1.0
223.07521	1.6
224.04683	1.2
224.08080	1.2
225.05318	1.1
225.09109	3.1
226.06247	1.2
227.06960	2.6
233.09669	1.2
235.07547	2.0
237.09068	2.1
238.06111	1.9
238.10040	1.2
239.06985	1.8
239.10648	2.2
240.07878	2.4
241.05003	4.8
241.08652	3.2
242.09320	1.5
243.06537	1.9
247.07523	1.1
249.09013	3.7
250.09935	1.9
251.06966	1.6
251.10623	2.5
252.07767	1.9
252.11658	1.2
253.08571	3.5
254.05688	1.5
254.09348	3.2
255.06520	6.0
255.10136	2.0
256.07303	3.3
257.08090	5.1
257.11801	1.1
263.07019	2.3
263.10657	0.9
264.07809	2.1
265.08600	5.3
265.11987	1.1
266.05847	2.0
266.09293	3.2
266.12875	1.2
267.06683	1.7
267.10150	5.7
268.07321	2.2
268.10910	3.7
269.04660	4.6
269.08066	5.3
269.11551	2.3
270.05222	1.0
270.08746	3.3
271.09567	5.8
272.06683	2.7
272.10098	1.0
273.07605	3.0
277.08746	4.3
278.09283	1.2
279.10156	7.9
280.07516	1.6
280.10840	14.5
281.08075	7.5
281.11267	2.0
282.08777	2.7
282.12341	1.3
283.06079	1.5
283.09650	5.9
283.13269	5.7
284.06778	6.6
284.10095	1.5
285.07541	9.3
285.11136	3.9
286.08160	1.5
287.09103	6.6
288.09824	3.4
291.10098	2.5
292.10959	2.0
293.08212	1.5
293.11700	3.4
294.08801	1.3
294.12344	2.4
295.09637	7.7
296.06964	1.7
296.10339	9.2
297.07480	3.5
297.11179	7.5
297.14380	1.6
298.08289	3.3
298.11935	10.6
299.09177	25.4
299.12650	3.6
300.09824	9.4
301.07056	6.0
301.10583	3.6
301.14075	1.1
305.12152	1.1
306.08832	1.7
307.09662	11.5
307.13000	1.7
308.10287	1.9
309.11218	2.8
310.11862	4.6
311.09351	1.7
311.12720	15.4
312.09793	2.9
312.13330	3.0
313.07285	1.4
313.10672	11.4
314.11420	7.0
315.08627	3.6
315.12140	5.5
316.09326	11.1
317.10086	5.1
320.10730	1.2
321.11240	5.5
322.11966	9.7
323.09045	5.7
323.12714	2.5
324.09958	1.8
325.10910	2.0
325.14349	9.4
326.14578	1.2
327.12207	9.5
328.09430	2.1
328.12982	22.5
329.10052	2.2
329.13696	14.0
330.10938	5.8
331.11679	9.2
332.12201	1.4
335.12750	2.8
336.13327	1.4
337.10733	1.5
338.11389	6.6
339.12280	15.5
340.09399	1.1
340.13013	8.0
341.13763	1.8
343.07599	1.7
343.11758	35.6
343.15247	1.6
344.12430	8.0
345.13120	2.7
353.13831	45.7
354.14481	16.0
355.11429	1.7
356.12390	2.5
359.14899	28.5
360.15292	2.5
361.12863	3.0
367.15421	3.1
370.13956	4.1
371.14890	87.5
372.15219	8.1
385.16437	48.0
385.21555	1.4
386.16727	5.7
388.14999	7.4
403.17496	100.0
404.17789	10.6
485.15195	1.5
485.21710	16.2
486.21786	2.1
548.22607	1.0
682.42120	2.0
683.31262	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.4
53.03942	1.0
55.01866	1.5
55.05501	1.3
57.03439	2.5
57.07063	1.0
59.04999	0.4
61.02917	1.4
62.57533	0.4
65.03957	0.6
67.05508	2.0
69.03431	4.6
69.07066	1.4
69.45492	1.3
69.45901	1.1
71.01358	0.3
71.04996	0.4
73.02916	2.9
77.03937	0.4
79.05492	4.8
81.03402	1.3
81.07056	2.9
83.04962	0.8
83.08633	0.5
83.18989	0.3
85.02909	15.2
85.06523	0.4
87.04478	0.8
91.03970	1.0
91.05482	10.7
93.07039	3.9
95.04974	0.9
95.08604	1.0
96.05313	0.4
96.65584	0.4
97.02905	4.9
99.04479	0.7
103.05460	0.5
105.04588	0.4
105.07030	14.8
107.08595	12.8
109.02893	1.3
109.06552	1.0
109.10180	0.5
115.03934	1.7
115.05479	1.4
116.06229	1.7
117.07029	6.2
119.08587	12.4
120.08913	0.6
121.06532	0.5
121.10149	12.9
122.10490	0.4
123.08086	1.2
127.03915	3.6
128.06261	1.1
129.07021	6.0
130.07809	2.8
131.08575	23.2
132.06514	0.4
132.09378	0.6
133.04971	1.9
133.10144	3.9
135.08067	3.3
137.09714	0.4
142.07788	0.6
143.08571	13.2
144.09358	5.1
145.04970	6.4
145.10130	15.8
146.10432	0.7
147.08041	0.4
147.11690	6.5
149.09587	1.0
149.13258	9.5
150.03041	0.4
150.07581	0.5
156.09337	1.3
157.10127	0.9
158.10907	13.4
159.11272	0.6
163.06009	4.1
171.11638	0.9
173.13266	31.4
174.13632	1.0
175.14844	2.2
191.14313	100.0
192.14655	5.1
209.15421	1.1
215.14357	0.9
241.07066	0.4
259.08286	0.6
305.17560	1.5
323.18555	2.3
325.11264	1.3
335.18616	0.4
353.19434	0.4
429.36774	0.4
452.97256	0.4
461.20834	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.01879	1.8
55.05513	21.2
57.03442	1.3
57.07074	5.1
65.03946	1.8
67.05503	24.5
69.03429	5.0
69.07066	14.4
69.19532	11.0
71.04990	1.7
77.83776	1.6
79.05499	20.2
81.03420	3.4
81.07057	83.3
82.04265	1.3
82.07384	1.5
83.04983	100.0
83.08624	3.5
91.05482	28.3
93.07047	34.3
94.07417	1.6
95.04975	10.0
95.08606	73.2
96.08955	3.8
97.02894	1.6
97.06531	5.4
97.10142	2.5
99.04448	1.6
103.05484	2.7
105.03425	1.7
105.04490	1.9
105.07032	41.9
107.04984	3.4
107.08591	30.4
108.08916	2.4
109.02813	2.0
109.06513	11.2
109.10146	17.3
111.04443	5.2
111.08082	7.1
115.05439	5.5
117.06995	9.4
119.08581	47.0
120.08922	3.0
121.06497	11.6
121.10143	16.6
123.04434	2.2
123.08074	12.6
123.11699	12.8
125.05968	3.5
125.09647	1.7
128.06235	6.3
129.07030	9.6
130.07831	1.8
131.08563	20.6
132.08879	1.7
133.06488	4.6
133.10132	22.3
134.10463	2.5
135.04446	2.8
135.08025	8.7
135.11684	10.5
137.05986	6.1
137.09618	4.0
137.13251	49.8
139.07518	5.5
141.06963	4.5
142.07808	7.9
143.08563	21.3
144.09357	3.3
145.06490	5.0
145.10130	28.9
146.10963	1.6
147.08061	7.3
147.11693	15.8
149.05984	3.1
149.09645	3.0
149.13286	5.5
151.07558	2.2
153.06995	2.8
154.07806	2.7
155.07353	1.8
155.08508	10.3
156.09283	6.3
157.06511	2.3
157.10136	24.5
158.07315	2.4
158.10445	1.4
159.08040	8.9
159.11685	27.3
160.08850	1.5
160.12259	3.7
161.09641	9.8
161.13271	8.1
163.07521	3.9
163.11185	3.3
165.05542	3.1
165.07018	5.1
165.09036	1.6
165.12775	3.4
166.07764	2.3
167.07175	1.9
167.08574	3.9
168.09326	4.1
169.10103	12.7
170.10831	2.6
171.08029	4.1
171.11699	17.7
172.12074	2.5
173.09557	9.1
173.13283	10.1
174.10233	1.6
175.11212	8.0
175.14839	2.2
176.11464	1.8
177.12758	5.5
179.07002	10.4
179.08559	5.0
179.10321	1.7
181.06487	1.6
181.10115	6.1
182.10822	3.1
183.08076	3.1
183.11684	17.0
185.09612	8.9
185.13274	12.2
187.07614	1.6
187.11195	20.1
187.14842	7.0
189.09129	2.6
189.12698	8.0
189.16388	3.3
192.09332	3.3
193.10115	8.7
194.10793	3.1
195.11646	8.8
196.12363	1.7
197.09602	4.8
197.13260	9.3
198.13867	1.9
199.11179	6.6
199.14835	5.2
201.09096	2.5
201.12724	7.1
201.16374	2.8
203.07013	1.6
203.10719	1.7
203.14345	2.1
203.17941	2.3
205.12180	11.3
207.11703	6.6
207.13478	1.6
208.12384	3.3
209.09663	4.6
209.13248	8.3
210.10219	2.4
211.11148	4.3
211.14786	6.3
213.09134	3.1
213.12747	8.0
213.16341	5.1
215.10709	2.7
215.14297	4.3
217.12312	3.0
218.10851	1.7
219.11690	4.6
220.12296	1.9
221.09724	1.7
221.13289	5.1
222.13968	1.7
223.11147	3.9
223.13274	18.0
223.14717	3.0
224.08128	2.2
225.09209	5.0
225.12788	3.9
225.16312	4.0
227.06953	2.3
227.10661	2.4
227.14288	3.5
227.17914	5.2
229.12105	2.7
229.15909	3.0
231.11676	2.8
231.13824	5.3
233.13298	3.9
235.11099	3.5
235.14862	4.3
237.09195	2.7
237.12715	3.5
239.10683	2.6
239.14291	3.7
239.17918	2.1
241.12245	2.0
241.15781	3.7
241.19466	2.0
243.17400	2.6
244.12575	2.3
245.13220	2.5
245.15445	2.3
247.14848	3.6
249.12703	2.5
249.16460	3.8
251.14445	2.9
251.17935	3.6
253.12262	2.8
253.15799	3.5
255.17393	1.6
257.19217	2.0
258.14084	1.6
259.17053	3.1
261.12650	3.0
261.16299	1.9
263.10733	1.9
263.14310	1.9
265.12244	2.9
265.15909	4.8
267.17487	4.0
271.16916	6.2
275.10486	1.5
275.20255	3.2
277.15778	3.4
279.17374	1.8
281.19086	2.1
283.16891	4.0
287.20105	2.2
289.12640	3.0
289.18008	38.3
291.13797	2.8
291.17526	2.4
291.21259	1.6
293.18964	1.8
297.18561	2.3
299.20126	3.0
303.19745	10.0
305.18878	3.2
307.17047	2.0
307.20663	2.3
309.18463	2.0
316.25516	1.6
319.16837	2.5
323.20041	4.2
325.21616	4.5
327.19641	6.6
341.21146	3.0
345.20633	6.3
349.21875	1.9
351.19678	4.0
363.23035	2.9
367.22580	2.8
369.20673	3.4
379.26456	2.3
381.24298	2.0
389.24722	2.4
401.24536	2.0
407.25696	16.6
417.20123	1.7
419.25751	1.7
425.26920	1.6
431.25638	2.1
471.28802	1.6
535.31921	3.0
543.35413	1.6
553.33026	11.6
565.36426	3.8
567.38434	10.7
571.34131	21.8
572.34460	2.6
583.37585	9.3
585.39514	10.8
586.39594	2.3
589.35303	8.7
590.35339	2.3
593.36078	6.8
599.36780	2.1
601.38739	5.6
611.37329	25.1
612.37421	4.1
629.38446	22.2
630.38367	3.1
646.42969	1.9
647.38928	4.3
664.43988	5.0
682.44202	6.1
683.44946	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94068	0.6
51.68866	0.6
55.05503	2.6
55.22450	0.6
56.95477	0.6
56.96580	0.6
57.03431	1.3
59.04983	0.7
61.02926	0.8
67.05511	5.2
69.03424	1.1
71.29056	0.7
79.05492	1.0
81.03429	1.3
81.07070	2.1
83.04995	0.8
83.08631	0.8
85.02894	1.1
87.04454	0.9
88.46283	0.7
91.05445	1.0
93.07039	1.7
95.04940	1.2
95.08590	1.9
98.26405	0.7
105.07030	1.2
107.08620	1.3
109.10169	4.0
119.08591	1.6
125.22336	0.7
131.08627	0.9
133.10211	0.9
135.04318	0.7
135.08070	0.7
145.10110	1.8
147.01776	0.6
153.01878	0.7
159.11658	1.5
173.11789	0.7
182.03796	0.6
229.14343	3.0
235.97826	0.6
246.28699	0.8
255.09079	1.3
267.09097	2.2
271.89215	0.6
285.10239	1.8
296.39139	0.6
303.05087	1.2
329.21136	0.6
383.24448	2.4
399.77859	0.7
473.16910	1.4
483.32346	1.0
485.17236	2.0
521.21606	1.2
665.31415	1.2
683.30463	100.0
684.30768	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.3
57.03430	2.1
60.25593	0.4
61.02929	4.1
63.52165	0.4
67.05505	3.9
69.03426	2.1
69.07068	1.1
69.24518	2.8
71.05018	0.5
71.36135	0.4
73.02915	2.3
79.05489	2.5
80.01360	0.4
81.03423	3.7
81.07055	3.7
82.08496	0.5
83.04990	1.1
83.08623	1.2
85.02908	5.2
85.06580	0.4
87.04484	0.5
91.03959	2.3
91.05460	3.3
93.07055	2.3
93.75905	0.4
94.29499	0.4
95.04977	0.9
95.08613	1.1
97.02894	3.8
97.06538	0.5
99.04465	1.0
101.02390	1.8
103.03954	0.5
105.07028	3.6
107.08610	2.5
109.02910	0.5
109.06498	0.7
109.10141	3.8
111.08089	0.7
112.02871	0.4
113.06042	0.5
119.08607	1.4
121.10147	1.0
127.03923	1.1
129.07048	0.6
131.08653	0.5
133.10149	3.6
134.06003	3.0
136.07639	0.7
147.08107	0.5
147.11719	1.1
149.09601	0.5
151.11147	1.8
152.07166	0.5
157.10135	1.0
163.11113	0.5
175.11206	0.9
178.08669	1.4
180.10194	1.0
193.12300	1.3
203.05350	0.8
206.08148	2.6
211.13318	0.5
229.14426	1.4
237.11014	1.3
243.08463	1.6
251.12579	0.9
293.13687	0.4
307.15189	0.6
383.24112	0.6
386.17035	0.5
404.17612	0.6
418.29315	0.7
455.18872	7.1
469.20438	7.0
470.20816	0.7
486.35818	8.3
504.36743	2.6
521.27856	0.5
522.37866	8.5
648.41229	0.5
683.32391	100.0
684.32709	12.8
684.43262	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03411	0.6
53.03941	0.8
55.01868	1.9
55.05511	2.4
57.03448	2.9
57.07082	1.2
61.02928	5.4
67.05502	3.4
69.03432	2.8
69.07077	2.1
71.01345	0.7
71.04998	0.7
71.30328	0.6
73.02918	2.4
77.99352	0.6
79.05492	3.0
81.03432	2.2
81.07072	3.2
83.01100	1.1
83.05002	0.9
83.08637	2.0
85.02911	6.2
91.03960	4.8
91.05461	3.0
93.07056	3.6
95.01125	0.9
95.04984	1.1
95.08628	1.9
97.01705	0.6
97.02891	5.5
97.06544	1.0
97.10199	1.2
99.04453	0.9
101.02404	1.2
105.07054	2.3
107.08597	3.2
109.02881	1.0
109.10168	1.2
111.08128	0.8
112.26762	0.6
117.07014	2.2
117.07778	0.7
119.08615	2.1
121.10179	1.4
123.04210	0.8
127.03935	2.3
128.06186	0.7
129.05507	2.5
131.04964	1.0
131.08580	2.8
132.05266	0.8
133.10150	1.3
135.11697	3.1
145.04944	1.2
145.10141	5.9
146.10693	0.7
147.11707	1.5
153.01874	1.0
159.11674	6.9
161.13301	0.7
163.11079	0.9
173.13297	0.9
176.11679	1.5
181.04803	1.1
181.12267	0.9
185.04198	5.2
185.11797	1.3
195.06329	0.7
199.13239	0.7
201.03787	2.0
201.07658	1.0
201.14819	1.1
201.16464	3.1
202.17223	3.1
203.05327	0.7
203.17973	1.2
204.30031	0.6
216.59375	0.6
217.05054	1.1
219.17459	1.1
221.11461	3.7
222.12146	0.7
243.08453	4.4
245.04408	1.6
247.13045	4.3
251.12704	0.8
255.15944	0.9
261.14752	1.8
273.03793	3.1
274.04840	0.7
277.14233	1.2
279.15836	0.8
291.15604	1.2
301.03409	2.0
301.08936	18.8
302.04144	0.8
303.04947	8.4
313.08713	0.9
315.10413	6.5
319.15121	3.7
327.10413	1.2
329.11966	1.5
337.16144	3.1
341.12201	1.4
355.13782	1.0
357.15244	2.2
365.15689	4.5
369.15167	6.3
373.11047	16.6
374.11560	0.8
375.25058	0.9
383.16864	1.4
385.18326	9.4
387.12643	1.1
403.24597	2.5
411.20114	2.5
415.15900	1.4
421.25760	1.5
429.17270	15.2
439.19446	21.8
439.25522	1.2
440.19650	1.9
449.25330	1.5
453.01572	0.6
455.18985	4.5
457.20633	3.7
469.20514	5.1
470.21164	1.7
471.22287	1.1
485.19513	1.2
498.20734	3.4
499.24973	0.7
502.20200	1.3
503.20663	2.9
504.20898	0.7
506.68378	0.7
511.21484	11.4
512.21484	0.9
513.27057	4.4
521.21710	7.6
522.21545	0.8
525.23114	2.2
539.24481	3.6
553.26764	2.0
554.30280	1.0
565.29340	1.0
581.29486	7.9
582.29968	3.4
586.29358	0.9
595.30939	1.7
621.32538	1.7
623.29944	2.3
637.31964	2.3
665.30920	2.5
666.32263	1.2
683.32355	100.0
684.32611	14.2
684.43561	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.9
55.01865	4.8
55.05516	49.8
57.07075	11.4
67.05504	58.5
69.07073	33.2
71.05029	6.5
71.06464	4.8
71.30217	8.0
79.05484	38.1
81.07056	70.0
83.04970	50.7
83.08583	7.0
90.02826	4.3
91.04949	7.1
91.05464	45.9
93.07041	88.7
94.55836	4.4
95.04981	8.1
95.08610	100.0
97.06530	6.3
97.10186	5.5
105.07028	87.3
107.08598	69.6
109.10155	58.5
111.04449	13.1
111.08086	17.0
115.05452	7.8
117.07006	22.8
119.08586	81.3
121.06499	15.8
121.10125	43.4
122.10434	4.9
123.08093	7.9
123.11749	30.0
128.06244	11.3
129.07037	23.4
130.07813	7.8
131.08572	31.8
133.06487	8.6
133.10130	64.1
135.08034	12.6
135.11685	21.6
137.09650	4.4
137.13223	6.0
139.07565	8.3
141.07037	10.9
142.07758	7.2
143.08559	39.0
145.06448	6.2
145.10118	55.8
147.08038	15.7
147.11690	56.3
149.09625	6.4
149.13271	32.0
155.08505	24.8
156.09317	14.1
157.10150	37.8
158.10727	4.6
159.08112	10.9
159.11697	37.9
161.09610	8.8
161.13274	20.4
163.14828	10.2
165.06966	8.1
166.07903	4.6
167.08641	13.0
168.09459	6.9
169.10091	27.6
170.10892	10.7
171.08057	9.7
171.11752	23.8
173.09653	12.1
173.13240	14.8
175.11179	8.4
175.14850	9.8
179.08589	9.4
180.09360	6.0
181.10143	14.2
183.11644	25.0
185.09615	10.1
185.13292	20.2
187.11192	9.2
187.14842	9.3
189.12759	5.5
189.16426	15.1
191.17958	6.3
192.09375	8.6
193.10135	13.5
194.10889	6.3
195.07948	6.4
195.11671	24.7
197.09659	7.7
197.13264	18.5
199.11230	11.8
199.14812	13.5
201.16353	24.8
203.17899	24.6
207.11708	17.8
209.13263	20.9
211.11244	6.8
211.14828	13.3
213.12862	6.7
215.18085	7.4
217.10179	6.0
217.12189	6.3
217.19699	4.9
218.10832	5.3
219.11795	7.7
220.12503	5.5
221.13298	17.2
223.14745	8.8
224.11919	5.6
225.12784	10.4
225.16373	9.0
227.14326	7.4
232.12463	5.8
233.13275	12.7
235.11215	6.9
235.14851	15.1
237.16296	8.8
239.14378	10.1
241.19345	6.1
246.10355	5.9
246.14011	5.2
247.14798	12.1
249.16461	7.8
251.18018	6.3
257.13260	7.3
261.16385	10.4
263.14011	5.9
263.17889	5.9
271.14764	5.7
273.12558	5.6
273.16290	6.7
275.14297	5.8
275.17923	7.7
277.16141	8.1
277.19241	6.0
289.16031	5.6
291.17325	5.1
295.16998	6.3
301.19345	5.6
303.17480	6.6
331.20737	6.1
341.22699	5.1
373.88394	5.9
383.11169	10.3
445.27325	6.8
463.28046	7.3
619.44562	5.6
629.43146	6.9
647.44623	24.1
665.45532	23.8
666.45721	6.0
683.45740	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	11.1
55.05511	37.0
56.05828	5.3
57.07073	6.8
57.20497	4.8
59.01046	4.5
67.05509	52.8
69.03440	6.4
69.07083	29.0
76.14779	4.6
79.05496	33.1
81.07058	94.9
83.04982	32.5
83.08612	20.0
85.06485	8.3
91.05467	56.0
93.07035	75.4
93.37515	4.7
95.04970	10.8
95.08601	100.0
97.06541	5.6
101.63400	4.6
105.04527	4.8
105.07027	85.4
106.07267	5.2
107.08599	73.6
109.06544	9.4
109.10159	61.8
111.04421	9.0
111.08078	17.9
114.82056	4.9
117.07024	17.3
119.08581	90.8
121.06535	15.1
121.10139	47.5
123.08084	7.8
123.11737	21.6
128.06244	7.2
129.07005	8.4
131.08569	35.6
133.10118	63.0
135.08049	14.7
135.11687	24.4
137.05966	7.1
139.07530	13.4
141.06947	6.8
142.07756	12.3
143.08575	29.1
145.06487	6.2
145.10121	57.5
147.08089	11.1
147.11682	65.1
149.09682	4.8
149.13223	18.9
152.11127	5.1
153.07002	6.4
155.08533	13.6
157.10120	38.3
159.11707	33.8
161.09575	12.4
161.13324	24.8
163.11169	5.1
163.14801	11.6
165.07034	6.0
166.07738	5.4
167.08528	11.0
169.10120	21.1
171.11694	19.7
173.09665	8.4
173.13295	15.4
175.11168	8.6
175.14796	8.5
177.16440	10.0
179.08578	6.8
181.10126	18.8
183.11720	23.9
185.13263	14.8
186.13826	5.8
187.11121	6.2
187.14862	8.0
189.12688	12.5
189.16365	14.9
191.17953	9.9
193.10162	14.6
195.11740	16.7
196.12318	6.8
197.09621	7.3
197.13269	21.6
199.11136	10.9
199.14848	11.9
201.16399	32.9
202.07779	7.4
202.16817	5.2
203.17941	42.2
206.10846	8.0
207.11719	20.5
209.09688	9.5
209.13327	15.3
211.14746	14.9
213.16365	6.6
215.18008	5.5
219.11755	12.0
220.12541	5.3
221.13266	22.1
222.13994	6.2
223.11504	5.4
223.14833	10.0
225.12582	7.7
227.14522	5.9
229.12503	6.4
233.13318	10.8
235.14828	12.4
237.16385	12.0
245.13271	5.9
247.14838	9.2
249.16420	15.2
251.14357	6.5
257.15549	6.5
259.14813	8.1
261.16339	8.9
263.14337	11.3
263.17896	8.9
267.13815	6.1
273.16296	7.2
283.16980	8.6
343.24265	6.2
417.27750	9.3
443.25589	11.5
445.27344	16.2
461.26965	9.5
463.28250	45.9
541.32910	6.0
623.42834	12.6
629.42847	6.3
647.44153	33.9
648.44971	6.0
651.27740	8.6
665.45398	35.1
666.45728	8.0
683.46234	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	8.1
53.72744	4.5
55.05518	24.6
56.87892	4.3
57.07088	9.9
62.01128	4.0
64.83755	4.0
65.03938	7.9
67.05506	47.3
69.03442	4.7
69.07064	29.8
71.08627	5.2
71.30252	6.4
79.05481	33.5
81.03436	4.8
81.07053	77.7
83.04993	28.6
83.08637	15.1
91.05458	43.5
93.07052	78.8
95.04968	11.9
95.08607	100.0
97.06544	6.1
97.10181	7.2
105.07028	72.6
107.04910	5.5
107.08590	60.2
109.06547	11.9
109.10169	52.1
111.04452	15.6
111.08079	17.6
115.05460	4.9
117.07030	17.6
119.08588	71.3
121.06529	10.9
121.10140	51.0
123.08083	13.0
123.11718	18.0
128.06223	6.8
129.06995	15.1
131.08585	28.1
133.10126	59.6
135.08054	10.0
135.11653	26.7
137.13281	7.4
139.07556	13.2
141.07024	9.4
141.09090	7.4
142.07759	9.8
143.08549	23.6
145.06532	7.6
145.10121	38.1
147.08060	9.3
147.11682	41.7
149.09650	7.6
149.13255	9.0
155.07260	4.2
155.08595	17.4
157.06554	6.6
157.10139	33.6
158.07323	4.3
159.08060	5.9
159.11699	27.7
161.09578	11.1
161.13257	20.5
163.14828	13.6
165.07016	6.0
167.08569	7.7
168.09364	5.4
169.10138	28.1
170.10962	7.4
171.08009	4.8
171.11690	25.4
173.09633	9.9
173.13240	12.6
175.11205	9.2
175.14873	5.9
177.16388	7.9
179.08554	9.6
181.10149	16.2
182.10834	6.8
183.08133	5.9
183.11717	22.6
185.09615	9.8
185.13289	16.9
187.11174	5.6
187.14813	12.7
189.12692	8.3
189.16425	13.9
193.10135	12.3
193.77644	4.5
195.11676	16.2
196.12399	4.9
197.09595	7.5
197.13251	23.1
198.13985	5.8
199.11092	20.7
199.14799	10.8
201.12651	6.0
201.16415	15.6
203.17944	26.0
205.10092	7.1
207.11731	14.5
208.56053	4.4
209.13251	22.3
210.14090	5.5
211.14874	13.5
213.12897	5.5
213.16373	6.1
215.14383	5.0
217.12064	6.0
219.11786	8.3
221.09688	4.9
221.13257	9.8
223.14839	11.6
225.12755	7.2
225.16425	10.3
227.14355	6.9
229.14267	5.2
232.12550	6.1
233.13234	12.9
235.11230	5.9
235.14801	10.1
237.12810	7.8
237.16423	12.6
239.14261	11.5
239.18028	6.2
243.11633	8.5
244.12390	5.6
245.13182	9.5
245.15460	6.5
247.14891	11.2
249.12741	7.5
249.16319	12.0
251.14310	8.2
251.17917	9.0
255.13921	5.7
257.13129	5.6
259.14954	6.3
261.12643	7.4
261.16342	5.8
263.17914	5.7
265.15826	7.4
267.17267	5.2
270.14413	5.3
273.16379	5.9
277.15530	6.3
287.14206	5.8
301.16162	5.5
303.20761	5.7
321.18549	5.3
329.19031	6.3
337.27368	4.8
377.24771	6.9
397.89447	4.5
403.30072	5.1
415.75427	4.8
427.26114	5.1
443.25656	18.3
445.27911	6.0
449.30292	7.2
457.26831	5.2
461.26874	13.7
463.28192	4.5
467.31461	14.8
550.35590	5.3
619.44775	7.5
629.43048	12.2
647.44220	24.7
648.45056	7.8
665.45966	20.0
683.46039	23.6
684.45056	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	10.6
57.07089	3.9
61.72495	2.8
62.11151	2.7
65.03937	3.5
67.05501	20.5
69.07053	17.1
70.93644	3.0
79.05495	13.7
81.07070	21.2
83.04974	14.8
83.08621	5.1
91.05439	14.4
93.07048	24.6
95.08604	44.3
105.07043	27.4
107.08605	21.7
109.10174	14.2
110.88581	3.1
111.04403	5.7
111.08125	7.3
117.07050	6.2
119.08585	22.8
121.10157	15.6
123.08070	5.1
123.11699	8.2
128.06267	4.9
129.06982	5.8
131.08583	13.2
133.10123	18.9
135.11693	8.7
139.07527	6.7
142.07732	5.3
143.08566	10.6
145.10132	19.6
147.08047	3.3
147.11658	16.1
149.13300	4.8
151.14847	3.4
155.08562	6.8
156.09341	6.1
157.10126	15.6
159.11684	11.7
161.09618	7.4
161.13286	6.9
163.14853	8.7
167.08615	5.7
169.10069	7.9
171.11720	10.1
173.13306	8.3
177.16425	8.0
179.08574	4.5
181.10101	9.3
183.11665	8.3
185.09657	4.5
185.13239	6.0
187.14888	4.2
189.16432	7.2
193.10191	3.3
195.11717	5.0
197.09459	3.5
197.13286	9.3
199.11179	4.6
199.14828	4.0
201.12755	3.5
201.16403	7.9
203.17957	10.2
205.10028	3.1
207.11713	9.9
209.13321	5.7
211.11211	3.9
211.14771	6.0
215.18002	3.8
219.11620	5.4
221.13298	8.0
223.14938	4.2
225.12709	5.2
225.16458	3.6
233.13187	5.2
234.13838	3.8
235.14864	6.7
237.16217	3.8
239.14308	4.3
239.18053	4.0
242.17821	3.2
245.13162	3.6
245.15402	4.3
246.13992	3.4
251.14342	4.2
251.17805	3.9
265.19653	3.2
273.16095	4.2
277.15857	3.6
277.19547	3.2
285.16302	4.6
289.19525	4.0
295.16898	3.5
303.21201	3.0
403.30066	5.8
421.30975	3.7
425.13510	11.2
443.25830	19.1
445.27405	5.3
511.34335	3.8
555.42059	3.4
561.26312	6.5
592.63037	3.5
605.43207	7.8
619.45197	14.6
621.46759	32.7
622.46960	5.4
629.43158	13.6
647.44501	100.0
648.44739	18.0
665.45734	78.3
666.45502	10.8
683.44867	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45483	7.3
53.03940	8.9
54.14069	6.3
55.01859	7.7
55.05502	15.0
57.07069	14.4
67.05509	52.1
68.61492	6.2
69.07070	42.2
69.14217	53.2
79.05495	44.5
81.07056	85.0
82.41608	6.1
83.04984	25.8
83.08627	9.7
91.05475	62.7
93.07063	75.5
94.80653	6.1
95.04993	9.1
95.08604	100.0
97.10188	8.3
98.22568	12.4
98.23252	19.2
105.07034	82.3
106.44347	6.3
107.08588	71.2
109.06528	10.0
109.10183	40.8
111.04436	13.4
111.08085	18.7
117.07034	21.8
119.08586	99.4
121.06527	11.7
121.10155	56.5
123.08063	7.8
123.11694	22.6
129.06979	17.7
129.60373	6.3
131.08565	50.9
133.10139	79.8
135.07970	7.1
135.11691	39.8
139.07501	24.3
141.07001	14.8
142.07756	9.6
143.08537	35.3
145.10112	63.8
147.08020	11.0
147.11697	77.7
149.09642	10.5
149.13284	15.9
155.08594	17.8
156.09329	14.5
157.10114	45.0
159.08052	12.3
159.11697	41.1
159.47563	6.3
161.09625	19.7
161.13286	14.7
163.11195	8.6
163.57899	8.2
167.08536	10.1
169.10098	35.6
170.10999	8.7
171.11688	29.8
173.09592	11.7
173.13271	19.4
175.11172	13.9
175.14862	11.7
177.16388	18.5
179.08498	8.0
181.10139	21.9
182.10959	7.4
183.11700	33.5
184.08736	6.3
185.13263	23.9
187.11176	10.9
187.14842	12.0
189.12769	8.9
189.16370	49.5
191.17966	20.5
193.10042	7.0
195.11644	23.7
196.12505	9.1
197.13275	26.6
199.11201	13.3
199.14830	23.4
201.12614	7.2
201.16373	29.7
203.17935	61.7
206.86534	6.2
207.08250	8.3
207.11710	13.6
209.13278	25.5
210.10249	7.5
211.14832	9.0
215.17912	16.5
217.10139	8.7
219.11690	10.6
221.13167	14.3
223.11043	7.3
223.14766	11.1
225.12729	9.3
225.16412	13.8
227.14404	8.3
231.11777	9.0
233.13213	16.0
235.14832	14.7
237.12723	8.4
237.16353	12.0
239.14268	7.9
245.15453	13.0
249.12616	11.1
249.16380	11.4
257.15353	8.2
261.16312	15.0
263.17935	9.4
265.16037	11.2
267.17496	8.8
274.17203	7.1
295.16895	7.8
297.18848	10.1
354.94330	6.8
355.15826	8.0
356.15958	20.6
387.18198	7.5
421.30997	9.0
439.31854	7.7
445.27328	16.3
457.27307	8.8
463.28250	13.9
475.28131	9.0
605.43420	8.5
619.44727	19.0
627.91742	7.8
637.45966	7.9
647.44794	48.1
648.43805	11.9
665.45215	47.4
666.45929	14.1
683.46271	37.8
684.46368	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.3
55.05515	18.9
57.07066	7.3
65.03947	4.9
67.05520	33.9
69.03417	5.3
69.07069	26.9
71.04996	4.5
79.05496	25.3
81.07057	53.3
83.04992	19.3
83.05423	3.7
83.08613	12.2
91.05464	32.6
93.07040	53.6
95.05041	4.0
95.08611	79.0
98.22809	16.7
102.10229	3.7
105.07030	45.3
107.08594	54.0
109.10154	35.5
111.04452	8.9
111.08080	16.1
111.44396	3.4
117.07019	8.7
119.08577	57.7
121.06479	7.1
121.10140	29.6
123.08072	8.7
123.11712	15.5
128.06151	3.6
129.06985	9.9
131.08580	25.0
133.10132	57.1
135.08052	5.0
135.11688	28.5
137.06015	3.8
139.07533	10.1
142.07765	8.8
143.08540	21.4
145.10141	30.8
147.08116	6.6
147.11694	52.5
149.09648	4.1
149.13278	7.0
155.08582	18.5
156.09267	5.7
157.10129	36.8
158.87929	3.6
159.08032	6.8
159.10603	4.1
159.11674	25.0
161.09552	10.7
161.13240	17.8
163.14836	10.0
167.08559	9.4
168.09343	4.9
169.10123	23.4
171.07999	4.9
171.11713	24.4
173.09647	10.9
173.13248	12.9
175.11166	8.2
175.14844	12.7
177.16374	23.8
179.08565	8.2
181.10135	13.0
182.10942	7.2
183.11746	22.3
185.09639	9.0
185.13240	21.6
187.11244	7.0
187.14810	8.1
189.12657	5.3
189.16408	17.9
191.17906	4.5
192.09360	5.7
193.10139	12.0
194.10861	4.5
195.07957	3.8
195.11703	17.7
197.13193	13.8
199.11168	11.2
199.14832	14.8
201.12695	5.0
201.16367	15.3
203.10745	4.9
203.17993	29.1
206.10747	5.0
207.11702	14.7
208.12450	5.3
209.13242	22.6
210.13983	5.0
211.14839	10.8
213.12747	4.0
213.16338	4.5
215.10904	3.9
215.17937	9.6
217.10129	6.0
219.11659	11.0
219.13716	3.6
220.12468	5.4
221.13234	16.8
223.14812	13.3
225.12807	9.0
225.16447	6.2
227.14246	7.5
233.13261	8.4
234.14044	4.2
235.14807	11.5
237.12744	5.8
237.16328	8.3
239.14259	5.2
245.13211	9.3
245.15462	9.3
247.14951	8.9
249.16420	7.9
251.14493	7.5
251.17857	7.9
259.11295	4.4
259.14694	7.4
261.16354	7.4
263.14072	4.1
263.17926	5.6
268.13885	4.4
273.07840	3.7
273.16357	4.2
277.19339	6.3
283.17068	4.0
295.16885	5.2
301.19388	5.2
305.22836	6.5
313.18298	4.9
329.22855	5.2
331.24203	3.9
337.27350	6.4
339.20587	4.3
345.22012	5.5
387.96289	4.3
403.30023	8.1
417.28073	5.7
421.30948	8.2
443.25687	13.7
444.25729	4.4
463.28229	18.4
475.28436	4.2
551.38959	4.6
553.40179	8.5
577.39917	7.6
589.39642	4.0
595.41437	5.3
605.42999	11.3
619.44653	13.9
621.46405	20.3
623.44891	5.6
629.43250	8.9
637.45953	3.9
647.34082	6.5
647.44537	100.0
648.44519	17.1
665.45642	79.5
666.46094	21.8
683.45923	40.2
684.46466	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09607	1.0
56.96335	1.0
57.03439	3.5
61.02931	39.4
61.87468	1.2
69.03442	9.5
70.03934	3.2
70.04320	2.3
71.05000	1.8
73.02922	13.2
81.03429	3.8
85.02908	77.3
91.03960	48.6
91.05822	2.0
97.02903	30.9
98.23343	1.2
99.04474	3.9
103.03944	1.2
109.02864	7.5
115.03923	5.2
117.05550	1.2
127.03919	40.4
128.04344	1.2
128.95975	1.1
145.04961	46.9
163.06024	100.0
164.06357	3.3
186.63605	1.1
284.86310	1.3
289.09009	1.6
307.10400	1.1
325.11292	25.5
359.03253	1.2
370.75317	1.2
561.61310	1.2
566.77539	1.3
685.14691	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.4
55.05513	12.4
57.03427	3.3
67.05180	2.2
67.05508	30.0
69.07063	6.6
71.30792	2.1
79.05495	50.5
80.05759	1.9
81.03416	5.6
81.07059	33.2
83.04994	9.1
83.08633	3.4
85.06560	3.0
90.73564	1.5
91.05484	33.6
93.06474	2.3
93.07052	40.8
94.07391	1.6
95.04958	14.3
95.08057	1.8
95.08610	21.3
97.06533	2.4
97.10155	2.1
97.78738	1.5
105.04544	2.9
105.07029	30.8
106.07375	2.0
107.04955	5.6
107.08593	10.1
109.06527	5.3
109.10133	3.0
111.08069	1.9
113.03591	1.4
117.07008	5.0
119.08591	16.3
121.06480	3.3
121.10144	4.7
123.08076	4.0
129.07019	9.8
133.10109	7.1
135.11714	2.4
139.36653	1.5
143.08554	7.0
145.10144	7.7
147.08075	1.7
147.11699	27.2
148.11937	1.8
161.09607	4.4
161.13269	7.6
171.11705	19.0
179.14340	3.0
189.12769	7.5
207.13794	24.4
225.14810	2.2
281.17474	50.1
282.17697	3.6
336.57019	1.6
414.90945	1.8
487.30527	100.0
488.30936	11.9
543.36523	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
57.03422	0.6
67.05496	0.8
67.07371	0.6
69.03423	1.5
69.04945	4.7
73.02915	0.7
81.03404	0.7
81.07060	1.2
85.02917	1.2
90.98030	0.5
91.05836	0.8
93.07061	0.7
95.08617	1.0
97.02892	1.4
111.28940	0.6
115.58896	0.5
127.22809	0.7
145.06537	0.7
179.08586	0.7
179.82199	0.6
181.06476	1.0
185.04283	1.1
192.58734	0.6
197.05913	0.7
199.07640	1.0
203.07024	0.6
207.08092	1.2
209.06241	0.7
209.09659	0.8
211.07527	1.9
224.08324	1.5
226.06323	1.0
227.07085	1.3
235.07571	2.0
237.09209	1.7
238.06354	1.1
239.07100	1.6
239.10733	2.2
240.07813	0.8
241.08618	1.6
250.09955	0.9
252.07878	1.8
253.08534	1.1
254.05763	0.8
254.09518	1.0
255.06535	1.1
263.06891	0.9
265.08673	2.3
266.09396	1.0
267.06653	1.2
267.10181	4.9
268.07321	1.8
269.08154	1.4
269.11731	1.3
278.09021	1.0
279.10294	1.0
280.07315	0.9
282.08923	1.2
283.06094	0.8
284.06815	1.8
285.07669	2.2
287.09094	0.7
293.08102	1.6
293.11438	0.8
295.09695	2.5
296.06949	0.8
296.10187	0.8
297.07666	1.8
297.11124	8.6
298.08359	1.8
299.09229	2.7
301.07043	1.3
311.09082	1.1
313.07123	1.3
313.10519	0.8
315.08545	1.5
321.10999	0.7
325.10675	10.4
325.14133	1.1
326.11292	0.8
327.08640	3.1
327.12320	2.5
328.09366	2.3
329.10223	1.7
341.13885	1.0
344.08789	1.4
348.43460	0.6
349.10556	1.0
351.12521	0.7
353.13962	1.1
357.13602	2.1
359.11383	2.4
368.12360	0.7
371.14944	1.8
377.09967	1.7
388.98550	0.6
393.13211	1.8
401.16208	1.5
423.14157	18.5
424.14499	1.1
500.87479	0.7
522.37805	1.0
523.18915	1.2
585.19446	3.3
649.15448	0.6
653.06152	0.6
685.24506	100.0
685.34082	7.1
686.24976	14.2
686.35529	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
55.05514	73.1
65.03937	1.7
67.05511	10.1
69.07065	4.8
71.30197	2.2
74.09715	3.2
75.04475	3.1
79.05495	7.6
81.07052	18.2
83.04982	96.2
83.08620	3.2
84.05310	1.5
89.46037	1.6
91.05483	16.1
93.07047	15.1
95.04969	1.5
95.08608	27.3
97.10192	1.7
99.04433	2.3
103.05489	2.2
105.07034	23.2
107.08595	28.6
109.06549	2.7
109.10161	9.6
115.05479	3.8
117.06985	9.3
119.04176	1.6
119.04945	7.4
119.08575	23.7
120.08940	2.1
121.06485	2.5
121.10130	9.3
123.11706	2.6
127.03958	1.7
128.06255	1.8
129.07011	6.2
130.07791	7.5
131.08577	16.0
132.05727	18.4
133.10150	9.8
135.11758	2.2
137.02377	1.6
142.07794	1.6
143.08591	5.9
144.09335	3.8
145.10123	100.0
146.10544	3.0
147.08041	10.5
147.11670	12.5
149.09610	2.4
153.06998	2.2
153.36438	1.5
154.07779	1.5
155.08574	2.6
157.10115	6.0
159.11699	31.5
160.12021	2.0
161.09644	2.2
161.13264	4.1
165.06973	3.1
169.10168	2.4
171.11678	4.3
173.09602	1.8
173.13261	8.9
175.07596	4.3
179.08525	1.9
179.10727	6.9
181.10191	1.8
183.08069	1.7
183.11621	2.2
184.15271	1.3
185.09668	1.6
185.13275	2.4
187.14789	2.7
189.16338	1.8
192.40100	1.5
196.08807	2.3
197.09596	1.9
199.14804	2.3
201.14510	2.7
201.16385	55.4
202.16985	3.8
203.17970	10.1
207.08179	2.8
207.10156	44.0
211.11133	1.9
213.09192	2.3
223.07542	1.9
225.09055	5.0
225.11253	3.7
227.07056	2.6
235.07535	3.4
236.08191	1.6
237.05527	1.6
237.09055	1.9
238.06300	2.2
239.03511	2.4
239.07094	3.4
239.10658	3.2
249.05510	1.6
251.07115	3.6
251.10460	1.8
252.07788	3.2
253.08609	3.8
254.05811	4.7
255.06451	3.4
257.08011	2.7
263.07007	2.1
264.07666	1.6
265.08575	3.7
266.05743	2.3
267.06500	3.3
267.10327	3.4
268.07187	2.2
269.08112	3.4
269.11569	1.9
270.05347	3.5
277.08624	1.9
279.06552	2.9
280.07272	4.8
281.08121	6.5
282.05402	1.5
282.08801	3.2
283.06244	3.3
283.09494	2.9
284.06641	3.3
285.07562	27.1
286.07968	2.5
292.06961	1.7
295.09637	5.2
296.06607	2.5
296.09979	1.6
297.07578	5.0
297.10907	1.7
298.08405	3.4
299.09119	2.3
299.12677	1.8
301.07138	5.7
307.09293	1.7
309.07718	3.7
310.08426	2.5
311.09109	13.8
312.06219	1.6
312.09723	3.7
313.06979	4.3
313.10678	4.7
321.07623	2.3
323.09119	4.8
324.09784	3.4
325.10693	4.5
327.08569	5.4
327.12277	5.6
329.10202	2.5
337.10672	2.4
340.09296	2.8
341.10312	8.5
343.11832	2.2
351.08557	3.7
352.09369	1.8
353.10147	3.1
355.11761	36.1
355.15820	1.5
356.12195	3.1
357.13312	17.5
365.10324	4.0
367.11765	4.4
371.11334	1.7
383.11243	32.0
384.11890	3.9
385.12738	11.4
411.10577	2.2
485.23416	6.9
501.23022	1.7
557.28717	3.3
585.28741	3.8
613.25293	1.7
649.46222	6.9
667.46899	5.0
685.33588	1.7
689.08221	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.05518	2.3
57.03426	0.6
57.07059	1.4
60.44601	0.3
60.49455	0.3
65.03954	1.0
66.30272	0.4
67.05499	4.7
67.06215	0.4
69.07071	11.0
69.27662	0.6
69.27993	2.8
71.08618	1.3
72.05315	0.5
76.32107	0.5
79.05494	3.7
81.03410	1.7
81.07055	5.4
81.56119	0.4
83.04996	0.9
83.08620	1.0
85.02879	0.6
86.50476	0.4
91.05480	39.9
92.05808	0.9
93.07046	5.5
94.03589	0.4
95.04968	1.2
95.08042	0.6
95.08611	7.8
95.09215	0.5
97.10162	0.9
102.54483	0.4
103.05473	0.6
105.07034	8.8
107.04942	0.6
107.08595	5.2
109.10165	7.4
115.05449	2.1
117.07024	7.7
119.08558	3.4
121.10174	2.6
123.04457	0.5
123.08027	0.8
123.11682	1.0
128.06221	3.5
129.07007	8.6
129.07985	0.5
131.04924	1.0
131.08559	4.1
133.10127	1.8
135.11688	4.3
139.07552	0.7
141.06987	7.1
142.07870	0.5
143.08560	14.6
144.08862	0.7
145.06467	0.7
145.10161	2.8
147.11678	5.1
148.12445	1.0
155.08543	3.8
157.06520	1.4
157.10106	7.0
158.10373	0.4
159.08090	0.9
159.11699	0.5
161.13217	1.0
163.11104	0.5
165.07050	0.7
166.07750	0.5
167.07140	0.7
167.08575	1.6
169.10143	6.0
171.08075	2.2
171.11732	1.2
173.09706	0.5
178.07770	0.9
179.08560	1.2
181.08598	1.2
181.10158	1.2
183.08005	0.5
183.11705	5.7
185.09573	1.0
187.07643	0.4
189.09184	0.6
191.08557	0.5
193.10179	1.6
197.06000	1.1
197.09589	0.7
197.13300	0.9
198.06769	0.7
199.11331	0.6
201.09126	0.7
204.07382	0.4
205.10130	0.5
207.11665	0.7
211.07582	1.4
211.11203	0.8
213.09158	1.0
214.06218	0.9
215.07036	0.6
219.08083	0.8
219.10182	1.1
221.06001	0.5
221.09610	0.5
221.13469	0.5
223.07634	0.6
223.11235	0.6
223.14847	0.5
224.08385	0.7
225.05475	0.7
225.09161	1.0
226.06180	0.7
226.09889	0.5
227.07059	1.8
228.07718	0.7
229.08609	1.4
233.09735	0.8
235.11150	1.0
236.08208	0.6
237.05489	0.6
237.09132	1.4
238.06387	1.0
238.09874	0.6
239.06993	2.4
239.17947	19.0
240.07826	1.6
240.18285	1.3
241.08537	2.7
242.05666	1.0
242.09370	1.0
243.06450	3.2
247.07695	0.4
248.08221	0.7
249.09140	1.7
249.16472	2.7
251.07037	0.8
251.10669	2.1
252.07779	0.7
252.11452	1.1
253.04918	0.5
253.06261	0.5
253.08540	3.2
254.05789	0.9
254.09317	1.4
255.06485	2.4
255.10187	1.2
256.07159	0.9
257.08102	3.2
258.08777	1.9
259.06076	0.6
261.09131	1.2
262.09943	1.2
263.10709	2.7
264.07916	0.8
264.11475	1.8
265.08646	2.2
265.12125	1.2
266.05624	0.5
266.09430	1.7
267.06522	3.8
267.10104	1.5
267.13654	1.0
267.17853	2.5
268.07266	1.6
268.10715	0.9
269.08130	3.6
269.11499	0.9
270.05289	1.0
270.08783	2.2
271.06070	1.1
271.09628	1.9
272.06781	1.4
273.07568	1.2
274.08221	0.9
276.11472	0.5
277.08667	1.5
277.12158	0.6
278.09424	1.1
278.12973	1.7
279.07001	0.5
279.10208	5.3
279.13782	1.7
280.07678	0.8
280.10913	3.7
281.08096	4.5
281.11688	1.5
282.08795	5.1
283.05960	1.7
283.09579	2.0
283.12906	0.6
284.07013	0.9
284.10419	2.4
285.07599	2.3
285.11166	2.6
286.08365	2.7
287.05887	0.9
287.09122	2.3
288.06366	0.4
289.10922	0.7
290.09192	0.5
291.10168	3.6
292.07883	0.6
292.10904	2.6
292.13828	0.6
293.08118	1.5
293.11697	2.6
294.12289	2.1
295.09668	2.2
295.13278	8.3
296.10422	4.4
296.13727	1.2
297.07550	2.0
297.11172	1.8
298.08359	3.8
298.11560	0.8
299.09146	5.8
299.12653	1.4
300.09845	1.4
301.07013	1.4
301.10709	4.5
302.07861	3.2
302.11533	1.1
303.08679	3.1
305.11685	1.6
306.12506	5.7
307.09601	3.1
307.13263	3.6
308.10385	3.1
308.13998	1.3
309.07800	0.9
309.11206	3.6
309.14890	5.8
310.12012	0.9
310.15491	2.4
311.09122	1.3
311.12805	2.6
311.16162	0.7
312.09888	3.4
312.13495	1.1
313.10666	9.8
313.27316	2.3
314.11365	5.5
315.08636	1.5
315.12137	1.2
316.09549	1.5
317.10199	9.3
318.10934	10.8
318.14478	0.7
319.11337	1.0
321.11145	1.3
322.12027	4.6
323.12756	15.8
323.16034	0.7
324.09799	1.0
324.13458	3.9
325.10556	2.1
326.11597	0.7
326.15060	2.4
327.12271	9.4
327.15903	1.3
328.12988	6.0
329.10254	1.0
330.10922	2.7
331.11713	4.7
331.26337	0.9
332.12549	14.6
333.13232	6.6
334.13718	0.6
337.14316	27.4
338.14999	13.8
339.12186	5.7
339.15939	4.8
340.12872	1.9
340.16534	0.9
341.13867	0.7
341.17471	8.9
344.12460	1.5
345.13315	10.4
346.13928	1.9
351.15991	0.9
352.16748	1.1
353.13803	1.0
354.14600	4.7
355.15390	15.2
356.15857	1.0
357.13367	0.8
358.14218	1.0
359.14871	11.2
369.16968	33.1
370.17697	34.1
371.14780	1.8
371.18829	2.5
372.15631	1.2
373.16315	0.7
386.17322	5.4
387.17587	0.7
401.19577	100.0
402.19943	9.9
417.90439	0.5
427.17807	0.5
455.20654	5.2
456.20752	0.6
505.38657	1.2
585.81079	0.5
667.36230	5.8
668.36298	0.8
685.45001	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	16.5
57.07069	6.0
62.12746	2.8
64.00831	2.8
67.05496	26.3
69.03423	8.3
69.07068	28.7
71.04980	4.0
71.28965	5.7
79.05470	9.0
81.07056	66.3
83.08624	16.0
85.02908	22.3
85.06539	4.3
91.05431	5.3
93.07040	21.1
95.04993	5.1
95.08610	100.0
96.08942	3.7
97.02903	5.3
97.06539	6.3
97.10170	14.2
99.04472	3.5
99.08105	6.0
105.07027	7.6
107.08581	16.7
109.06493	3.3
109.10155	45.6
111.11718	10.4
118.35618	3.2
119.08579	10.5
121.10136	14.4
123.11719	28.6
127.03903	5.0
133.10139	8.8
135.11699	7.7
137.05988	14.8
137.09618	9.1
137.13248	8.8
139.11163	9.0
141.02068	3.5
145.10117	5.2
147.11618	7.7
149.13211	7.6
151.07529	5.0
151.14836	24.7
157.12247	4.1
159.11760	5.8
161.13223	6.2
163.14740	6.2
165.09120	12.5
165.12837	4.2
165.16397	4.7
174.09055	3.9
177.09061	7.5
183.13809	4.4
191.10590	4.4
197.15318	5.5
203.10507	4.5
207.17516	4.6
228.79321	3.4
233.18913	4.4
237.18524	5.2
245.45308	3.2
289.25247	14.8
295.26334	4.2
307.26297	45.8
325.27280	10.6
343.28494	4.8
478.83939	3.9
523.31567	5.3
524.32837	3.9
685.37762	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	16.5
57.07069	6.0
62.12746	2.8
64.00831	2.8
67.05496	26.3
69.03423	8.3
69.07068	28.7
71.04980	4.0
71.28965	5.7
79.05470	9.0
81.07056	66.3
83.08624	16.0
85.02908	22.3
85.06539	4.3
91.05431	5.3
93.07040	21.1
95.04993	5.1
95.08610	100.0
96.08942	3.7
97.02903	5.3
97.06539	6.3
97.10170	14.2
99.04472	3.5
99.08105	6.0
105.07027	7.6
107.08581	16.7
109.06493	3.3
109.10155	45.6
111.11718	10.4
118.35618	3.2
119.08579	10.5
121.10136	14.4
123.11719	28.6
127.03903	5.0
133.10139	8.8
135.11699	7.7
137.05988	14.8
137.09618	9.1
137.13248	8.8
139.11163	9.0
141.02068	3.5
145.10117	5.2
147.11618	7.7
149.13211	7.6
151.07529	5.0
151.14836	24.7
157.12247	4.1
159.11760	5.8
161.13223	6.2
163.14740	6.2
165.09120	12.5
165.12837	4.2
165.16397	4.7
174.09055	3.9
177.09061	7.5
183.13809	4.4
191.10590	4.4
197.15318	5.5
203.10507	4.5
207.17516	4.6
228.79321	3.4
233.18913	4.4
237.18524	5.2
245.45308	3.2
289.25247	14.8
295.26334	4.2
307.26297	45.8
325.27280	10.6
343.28494	4.8
478.83939	3.9
523.31567	5.3
524.32837	3.9
685.37762	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.05503	1.6
67.05505	3.8
69.07064	2.4
69.26005	5.6
69.26411	2.3
79.05506	1.8
81.03431	2.4
81.07066	4.3
83.04997	2.1
91.05499	5.2
93.07067	4.1
95.08602	6.4
103.05450	2.1
105.03397	3.2
105.07031	5.2
107.08591	4.6
109.10179	2.6
111.04486	1.8
117.07053	1.5
119.08585	5.9
121.06518	1.4
121.10168	2.4
131.04958	3.4
131.08592	2.3
133.10159	3.5
135.11711	1.7
147.11716	6.2
149.01057	1.3
155.08569	1.4
157.10211	1.6
159.11716	1.4
161.13200	1.5
165.07018	1.9
167.08583	1.5
171.11644	1.6
177.14012	1.1
178.07819	1.3
179.08606	3.6
181.06555	1.4
181.10141	1.2
189.06934	1.3
189.16418	2.4
191.08650	1.4
194.07297	3.3
195.08089	2.1
203.17957	3.2
204.05707	1.2
205.06561	3.9
207.08084	2.7
209.09546	1.4
209.13152	1.5
210.06676	1.5
211.07591	3.1
211.11275	1.9
219.08089	2.3
221.05992	2.8
222.06705	5.9
223.07422	2.9
224.08344	3.7
226.06348	1.8
227.03699	1.4
227.06966	1.8
233.06036	2.9
234.06721	3.2
235.07477	7.1
236.08296	3.4
237.05476	4.5
237.09143	5.9
238.06245	3.9
239.07079	3.9
239.10660	4.1
240.07622	2.0
241.08672	2.8
247.07552	1.2
249.05397	1.5
249.08885	1.5
250.06267	6.9
251.07001	6.9
252.07848	9.9
253.04991	2.2
253.08617	3.7
254.05705	4.6
254.09218	1.4
255.06573	1.5
256.07315	1.9
257.04443	1.6
261.05499	1.2
263.07068	4.6
264.07803	3.5
265.05496	2.5
265.08615	19.5
266.05756	1.6
266.09280	2.5
267.06567	3.7
267.10153	19.1
268.07352	5.7
268.10364	2.1
269.07947	2.9
271.06183	1.5
278.05887	3.0
279.06488	5.2
279.26221	1.1
280.07275	6.8
281.07983	4.3
282.05350	2.4
282.08853	4.4
284.06915	2.6
285.07413	1.4
291.06500	3.7
292.07422	2.8
293.08090	23.8
294.05695	1.4
294.08734	6.7
295.06122	4.1
295.09586	34.2
296.06714	3.6
296.10153	3.5
297.07501	6.0
297.11212	5.3
298.08182	1.8
299.06030	1.7
299.09216	4.9
299.12704	1.9
300.06250	3.4
305.08099	1.6
308.06781	2.2
309.07425	5.5
309.10928	1.6
310.08359	5.8
311.09265	5.0
312.09982	2.2
313.07034	4.2
314.07651	2.6
315.08664	12.3
323.09161	7.1
324.09885	3.5
325.07184	1.7
325.10672	41.6
326.11118	5.9
327.08612	12.6
327.12350	7.4
328.09418	6.8
329.10062	8.4
337.10455	1.3
339.12262	2.7
340.09451	2.8
340.13071	1.4
341.10068	6.7
342.10928	26.2
343.11478	2.5
344.08850	1.3
351.08795	1.3
355.11749	100.0
356.12125	11.7
357.13315	85.7
358.13626	4.3
359.11316	6.6
367.11710	3.9
369.13519	1.3
381.13391	11.5
388.19550	1.4
399.14432	18.6
400.14621	1.4
445.23782	3.3
447.25507	2.0
632.41693	2.7
650.42786	3.0
686.45728	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.5
53.03942	7.4
61.71937	1.1
69.73139	1.3
71.31353	1.2
76.59981	1.2
77.03947	2.1
95.04986	6.9
99.04462	22.1
105.03394	100.0
105.04520	3.7
105.06992	1.8
106.03720	3.2
119.04939	2.2
127.03935	10.5
132.05737	3.9
147.08076	1.7
154.70021	1.2
179.10728	2.3
194.07294	1.9
195.86673	1.3
205.06407	1.6
207.10080	10.6
209.09656	2.4
219.07936	1.5
221.06000	2.3
222.06638	3.6
225.05548	1.5
233.05910	1.3
234.06700	2.2
237.05469	2.1
237.09106	3.2
238.06311	1.5
239.03372	2.8
239.06917	2.1
249.05556	2.9
250.06317	4.5
251.03339	11.3
251.07059	4.4
252.04207	3.4
252.07817	3.5
253.04938	2.0
253.08568	3.3
253.75996	1.3
262.06253	1.6
263.07010	8.2
264.04199	2.1
264.07727	2.4
265.04959	7.7
265.08612	10.2
266.05792	8.8
266.08768	1.7
267.03079	1.6
267.06448	3.6
277.04837	2.8
277.08423	1.3
278.05710	2.7
279.06610	10.2
279.09604	1.7
280.07263	11.1
281.04495	3.6
281.08051	4.2
282.05246	3.0
283.37689	1.5
291.06546	6.2
292.07254	12.0
293.04462	4.6
293.08063	10.5
294.05240	8.4
294.08853	6.8
295.06027	4.4
295.09634	10.1
296.06750	4.7
297.07593	30.5
297.10776	2.7
298.04803	2.0
298.08002	1.7
305.08139	4.2
306.08752	1.8
307.05960	7.6
308.06769	9.3
309.07516	6.3
309.10953	2.1
311.05493	7.7
311.09134	3.2
313.07120	6.6
321.07581	5.6
322.08304	20.0
323.09122	58.3
324.09772	12.6
325.07010	4.3
325.10751	8.6
326.07834	11.0
327.08450	5.4
329.10260	1.5
333.07486	2.8
336.09891	2.2
337.06992	4.0
337.10721	6.7
338.11365	3.7
339.08627	4.1
339.12326	4.3
340.09406	3.8
341.10193	1.6
342.11121	2.5
348.09827	4.3
349.10596	1.5
353.10196	58.3
354.10608	7.7
355.11749	34.7
356.12100	1.7
357.09741	2.5
365.10269	4.5
366.10867	6.1
367.07834	1.7
367.11768	11.5
369.13330	9.7
379.11813	10.0
397.12851	42.1
432.12170	1.8
477.15234	3.7
686.40625	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37206	0.4
53.02126	0.4
53.03920	0.6
57.03424	1.9
65.03905	0.4
69.33492	3.0
71.04993	10.9
73.02924	0.6
79.05468	0.6
83.04984	0.8
85.02901	12.5
91.05473	3.0
95.04971	1.1
99.04449	0.6
103.05471	8.3
103.79485	0.5
105.07063	0.6
106.20442	0.4
107.04948	0.9
111.04427	0.7
115.05450	1.1
117.07016	1.9
119.04933	1.7
121.06509	1.2
122.03661	1.8
123.08096	0.7
128.06200	0.8
129.05453	2.6
129.06943	1.0
131.04919	16.9
131.08609	0.5
132.05278	0.5
133.06465	0.7
135.08018	1.1
137.05972	29.7
138.06317	1.0
143.37970	0.5
145.06483	1.2
147.06517	1.1
147.08037	0.5
149.05994	1.2
151.03801	0.5
151.07530	14.6
157.06468	1.1
159.08083	0.5
161.05951	3.7
162.06761	2.0
163.07536	41.2
164.07864	1.5
164.09171	0.7
165.09177	0.6
167.08522	0.6
171.08025	1.1
175.07536	6.4
177.09102	100.0
178.09459	5.0
187.07570	1.1
189.09096	3.3
191.06963	0.8
193.06424	0.6
193.09993	0.5
195.08067	1.4
195.10172	3.7
201.09088	0.6
203.10695	1.4
207.08197	0.9
207.10086	1.1
214.16385	0.5
219.10199	1.6
221.05980	0.8
221.09801	0.8
221.11710	20.0
222.12067	0.7
223.07524	1.2
225.09032	0.7
227.10666	1.9
231.10104	0.5
237.09004	0.5
249.09158	0.9
253.08675	1.4
253.12354	1.2
255.10275	2.3
261.09085	0.5
265.08591	0.9
281.11563	0.5
285.11203	1.9
287.12766	4.9
288.13019	0.7
293.11716	0.7
299.12863	1.4
301.14377	0.5
311.12714	2.2
313.14316	5.2
331.15405	16.8
332.15662	1.7
343.15320	5.5
345.16934	0.7
349.14377	0.5
355.15549	1.3
367.15408	1.9
385.16391	1.3
397.16342	0.8
423.17838	1.4
441.19055	0.8
567.40454	0.6
580.74146	0.4
673.81232	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.05508	6.2
57.03434	3.7
57.07075	34.4
61.02657	0.9
61.02931	12.4
62.03271	0.7
67.05505	12.9
68.05837	0.6
69.03411	1.3
69.07063	7.4
71.04980	1.0
71.08234	1.4
71.08631	27.1
71.31281	1.0
73.02915	4.4
75.04470	2.5
76.96410	0.7
79.00920	0.6
79.05481	3.9
81.03410	2.4
81.07057	18.2
83.04984	2.0
83.08618	10.8
84.08943	0.8
85.02907	14.4
85.10177	19.3
86.09721	1.2
89.05993	1.0
90.60892	0.8
91.03951	13.2
91.05472	2.1
93.07053	2.9
95.04966	0.8
95.08607	24.1
97.02890	6.7
97.10166	8.6
99.04437	0.8
99.11761	1.1
104.02055	0.7
105.03389	1.4
105.07033	1.9
107.08604	2.1
109.06493	0.8
109.10152	12.4
109.76694	0.8
111.11712	2.5
115.03921	0.9
117.06983	0.8
118.74648	0.7
119.08595	2.3
121.10133	1.1
123.11713	4.8
125.00008	2.3
125.13189	0.8
127.03915	5.6
131.08607	1.5
133.10156	1.3
135.11604	0.8
137.13258	1.6
145.04979	7.4
145.10124	1.3
147.11633	1.0
163.06015	10.8
184.07314	6.6
186.92911	0.7
187.20184	1.0
229.14368	1.2
235.24248	1.4
253.25258	22.1
269.20969	0.7
271.26291	4.4
278.33957	0.7
327.28931	100.0
328.29236	6.3
335.25757	1.6
345.29980	27.5
346.30313	2.1
431.09052	0.8
527.37427	1.0
545.38074	1.8
548.87531	0.9
691.36890	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80926	0.7
53.03971	1.0
55.05513	12.9
57.03440	14.6
57.07080	1.5
59.05001	3.4
59.23418	0.8
61.02930	5.0
65.03946	2.6
67.05507	100.0
68.05852	1.7
69.03438	1.1
69.07072	7.7
69.39146	5.9
71.05000	2.7
79.05494	21.1
81.06581	2.0
81.07059	37.0
82.07371	1.0
83.08623	9.1
85.02908	2.9
85.06536	2.3
91.03955	1.4
91.05490	13.0
91.06024	1.5
93.07047	22.0
95.04977	1.8
95.08611	24.2
97.02907	2.4
97.06548	1.0
97.10136	1.2
98.22805	1.9
98.23405	1.7
99.08105	1.3
105.07050	5.4
107.08599	13.1
109.10159	73.2
110.10491	2.2
111.08099	3.6
117.07034	3.4
119.08591	11.8
121.10138	10.1
123.11726	3.1
125.09659	1.1
131.08594	5.2
133.10129	4.3
135.11673	6.4
137.09628	3.5
137.13271	1.0
144.20724	0.8
145.10132	3.5
147.11699	4.2
149.13292	3.6
155.10654	7.0
159.11726	2.5
161.13220	2.3
163.14902	2.1
173.11760	18.6
173.13275	3.3
175.14853	1.7
187.14816	1.7
189.11270	1.2
208.86684	0.8
227.12747	4.3
229.14357	89.1
230.14687	3.1
233.22668	1.2
243.21097	4.5
261.22171	16.9
262.22351	1.0
267.92731	0.9
317.24765	2.3
335.25821	61.4
336.26147	4.9
397.30945	1.2
415.32339	1.2
471.34531	1.3
489.35748	33.3
490.36020	4.2
507.36444	2.5
535.69977	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01874	1.2
55.05513	11.3
57.03437	12.4
57.07076	2.5
59.04995	3.8
61.02926	4.8
65.03934	2.6
67.05506	100.0
68.05830	1.7
69.03440	2.1
69.07069	6.7
71.04993	3.3
79.05493	24.5
80.05854	0.9
81.03401	1.2
81.07059	38.4
81.51173	0.8
82.07388	1.3
83.08627	8.7
85.02900	3.2
85.06528	2.6
91.03931	1.8
91.05476	15.6
93.07041	28.0
93.07627	1.8
95.04963	2.7
95.08613	27.7
95.09233	1.6
97.02876	1.6
97.06548	1.4
97.10170	2.1
98.22554	1.8
98.23244	4.3
99.08099	1.6
105.07015	9.0
107.08589	15.8
109.10157	70.4
110.10456	1.7
111.08082	3.0
117.07004	2.1
119.01477	0.8
119.08584	11.5
121.10142	11.7
123.11697	3.2
125.09655	1.4
131.08560	5.6
133.10155	5.7
135.11674	7.1
137.09616	3.5
137.13287	1.5
145.10097	3.5
147.11685	3.1
149.13286	3.9
149.32219	1.1
155.10670	6.6
159.11717	3.0
161.13298	2.9
163.14839	1.5
173.11787	16.1
173.13240	3.2
175.14726	1.1
187.14693	1.6
201.16393	1.2
227.12773	4.5
229.14352	79.2
230.14711	2.7
243.21118	3.1
261.22171	16.1
262.22556	1.2
299.23666	1.1
317.24744	2.7
335.25812	64.5
336.26132	5.3
489.35736	49.0
489.40933	0.8
490.36078	6.8
507.36893	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51637	1.4
55.05505	5.0
57.07079	29.9
58.07384	1.3
64.72329	1.2
67.05497	5.7
69.07034	7.6
69.07333	6.3
69.07738	4.6
71.08640	28.5
73.06561	10.2
79.05492	2.7
81.07067	6.3
82.07367	1.4
83.04992	3.0
83.08624	5.6
85.10181	16.6
87.04475	11.9
89.06036	100.0
91.05468	2.0
93.07053	6.6
95.08614	6.0
97.10181	5.6
99.11746	2.8
105.07067	1.9
107.04990	2.8
107.07046	3.3
107.08598	3.9
109.10188	1.8
111.08228	1.9
111.11725	4.1
117.09138	5.9
119.08564	3.4
121.10176	2.3
127.14823	1.7
130.08691	2.5
131.07066	2.2
131.08582	1.9
133.08614	55.0
133.10172	3.6
141.16341	1.7
145.10114	2.7
147.11710	2.7
149.05968	1.9
159.11746	2.1
177.11220	17.0
201.16461	2.5
203.17952	2.5
211.24193	2.5
219.17587	1.7
221.13887	3.0
279.12317	3.7
299.29526	5.0
331.75516	1.5
343.31992	2.8
445.18335	4.1
632.44830	1.6
669.50885	1.7
686.44843	1.7
686.55035	1.7
687.47955	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13104	0.2
69.89664	0.3
70.52612	0.7
79.05502	0.3
107.01076	11.6
107.04955	1.0
127.03680	0.5
131.04959	0.3
137.05981	2.1
151.03951	1.0
161.05968	0.5
163.07573	0.8
165.09090	0.3
169.04796	0.3
173.02106	30.8
174.02486	1.0
185.04298	0.3
191.03183	0.9
214.04849	0.3
229.06757	0.4
257.04202	4.1
259.20230	0.3
284.06900	0.5
307.09671	0.3
317.08466	3.9
327.08759	0.7
365.09988	0.3
369.13531	0.6
392.08658	5.9
393.09406	3.0
555.15265	1.4
587.20996	0.6
687.18884	100.0
688.19226	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
67.70692	0.9
69.36973	1.9
69.37366	5.7
75.67065	0.9
80.20218	1.0
96.84180	0.9
110.88269	0.8
175.12018	1.5
189.78697	0.9
210.37920	1.2
223.42293	0.9
273.15063	1.0
321.45364	0.9
425.15826	1.2
515.76349	1.1
587.21326	1.2
687.24298	100.0
688.24597	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01565	1.0
55.01867	1.1
69.03436	1.6
70.84973	0.9
71.31747	1.0
81.38068	0.9
85.02906	8.4
97.02915	1.9
102.26943	0.9
105.03399	2.1
120.27689	1.2
137.05994	1.0
144.01868	1.0
159.04425	2.1
167.07074	4.8
195.11797	1.0
209.08014	1.6
210.06717	1.3
211.07516	2.5
213.05467	2.3
221.09663	1.2
223.07623	1.4
225.09169	2.2
235.07541	3.3
236.08255	1.8
237.09177	2.5
238.06303	2.2
239.06963	2.0
239.10579	1.4
241.08536	1.6
242.05637	1.1
243.06590	2.3
251.07013	1.8
252.07808	1.5
253.08571	4.9
255.06477	1.7
255.10213	1.2
257.08142	1.8
263.06982	1.4
264.07596	1.5
265.08597	4.4
267.06439	2.2
267.10199	5.0
268.07281	2.5
269.04767	1.2
269.08057	3.1
270.05246	1.3
270.08865	2.1
271.05878	4.9
272.06674	1.8
273.07660	1.5
279.10168	2.6
281.08203	6.2
282.08856	1.6
283.06500	1.8
283.09634	5.7
285.07654	5.1
285.10989	1.9
287.08990	2.1
293.08081	2.4
295.09610	3.2
297.07559	3.5
297.11307	3.3
298.08414	1.6
299.05533	2.8
299.08905	2.3
300.09866	1.5
301.07086	4.5
307.09689	2.2
309.11102	1.6
311.09180	13.7
312.10016	1.7
313.07059	2.9
313.10703	6.9
314.07779	8.3
315.05301	1.4
315.08618	5.3
315.11948	1.7
325.10703	6.7
327.08395	1.8
328.09573	1.7
330.07437	2.0
337.10852	2.1
339.12302	3.8
343.11758	22.4
344.12045	2.2
345.09662	6.9
357.13162	5.8
369.13248	4.0
387.14362	100.0
388.14673	9.3
586.64117	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	1.4
70.06590	5.7
72.08157	13.0
85.02888	1.2
86.09692	7.8
91.05461	1.2
95.04987	1.3
103.05470	1.2
105.03384	3.6
105.07034	1.5
107.04903	1.8
115.08694	7.2
129.06967	1.0
131.04955	2.4
136.07573	9.6
137.05975	4.9
138.06261	1.4
151.03931	1.3
161.05960	3.5
163.07574	0.9
165.05495	1.1
165.06981	1.2
169.06519	0.9
171.14946	3.7
174.06894	1.1
175.07536	1.6
179.08522	1.8
181.04933	1.1
181.06435	2.0
181.10107	1.7
182.07361	1.4
183.07999	1.3
185.16518	4.6
191.07050	1.3
193.06413	0.9
194.07239	1.6
195.08009	2.2
197.05963	1.4
197.09622	1.9
199.14497	2.6
204.07796	1.5
205.06467	1.1
205.10156	1.2
207.08037	2.1
208.08838	1.3
209.09618	3.8
210.06715	3.7
211.07521	2.7
213.05426	2.8
213.16032	2.8
218.07213	1.7
219.08063	1.4
219.10005	1.0
221.05962	2.5
222.06740	1.1
223.07542	4.2
223.11270	1.2
224.08243	1.6
225.05447	1.3
225.09126	4.4
226.06174	2.2
227.07008	2.8
233.05952	1.3
233.09608	2.8
235.07513	4.2
235.14433	1.3
236.08253	2.7
237.05423	2.0
237.09097	5.3
238.06284	3.3
239.06931	3.2
239.10634	1.2
240.04218	1.6
240.07689	2.5
241.05038	2.1
241.08589	1.7
243.06555	2.2
246.06827	1.2
247.07475	1.8
248.08241	1.6
249.05400	3.2
250.06201	2.4
250.09747	2.6
251.07057	4.6
251.10695	2.1
252.07802	3.4
253.05005	2.9
253.08601	7.4
254.05763	3.6
255.06529	5.3
255.10117	2.9
256.03598	1.3
256.07202	3.2
257.04532	1.1
257.08035	1.6
261.09134	2.5
263.06961	4.3
263.10971	1.4
264.07755	7.5
265.08569	7.5
265.12091	1.2
266.05716	5.1
266.09109	1.9
267.06586	2.9
267.10117	6.6
268.07343	5.2
269.04532	2.3
269.08090	5.1
269.11523	1.1
270.05386	1.4
270.08710	2.0
271.06055	5.9
271.09454	1.3
272.06671	1.5
277.08496	3.1
278.09360	4.7
278.14911	2.2
279.06683	2.0
279.10141	7.8
280.10736	1.7
281.04883	1.7
281.08051	12.5
281.11609	2.7
282.05441	1.7
282.08817	3.3
283.06036	2.8
283.09650	11.0
284.06750	10.5
284.09833	1.9
285.07559	5.1
285.11169	2.1
286.04785	1.5
286.08163	1.2
287.05557	1.1
287.09109	2.9
289.08701	1.9
291.06506	2.7
291.09808	1.8
292.07312	3.4
293.08011	3.4
293.11758	3.9
294.08734	2.7
295.06424	1.8
295.09644	12.1
296.06989	2.3
296.10391	2.6
297.07535	4.4
297.11145	3.2
298.08224	2.1
299.05484	6.1
299.09109	8.2
299.12296	1.4
301.07111	6.6
305.08060	1.9
306.08755	4.2
307.09586	8.8
308.06760	1.2
308.10309	2.6
309.07559	5.5
309.11227	5.2
311.09158	13.0
311.12558	1.3
312.06293	2.9
312.09836	4.1
312.22775	2.3
313.07007	7.4
313.10681	15.2
314.07864	8.2
314.11115	2.0
315.08499	4.1
319.09714	1.9
320.10153	1.3
321.07480	2.7
321.11157	6.4
322.08240	4.1
323.08981	3.0
324.09924	6.2
325.10663	4.6
327.08643	53.7
327.12079	3.1
328.09216	9.3
330.07327	3.0
336.48132	1.2
337.10675	21.2
338.11215	3.5
339.08807	1.3
339.12283	19.1
343.11771	24.0
344.12326	1.4
345.09760	7.6
347.18442	1.2
351.12204	7.2
354.10934	3.1
355.11749	30.9
356.12122	3.1
369.13321	48.3
370.13632	2.9
387.14386	100.0
388.14828	8.0
411.29605	1.8
475.29501	1.2
530.92639	1.0
589.37097	1.1
643.42010	1.4
670.42511	2.2
688.25232	1.7
688.44122	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97981	0.5
56.52515	0.6
62.48129	0.6
68.99802	0.5
69.95058	1.3
69.95442	1.9
85.02892	1.3
86.78688	0.8
91.34167	0.6
98.23344	0.6
105.03391	0.8
118.07471	0.5
128.44185	0.6
137.05952	4.3
140.01923	0.6
151.07532	0.6
153.06853	0.6
155.08516	0.8
161.05925	0.6
165.06973	0.8
167.07108	0.6
167.08525	0.7
174.06734	0.8
182.07220	0.8
189.09018	1.3
193.06541	0.7
195.08044	2.1
197.05981	0.8
198.06709	0.7
198.64268	0.7
199.07513	0.6
200.85854	0.6
205.06563	0.6
207.08119	1.2
207.09966	0.6
208.08858	1.6
209.05962	0.8
210.06743	3.5
211.07529	2.6
213.05460	1.8
218.07278	0.6
219.08026	1.6
219.10153	1.9
221.06033	1.2
223.07515	2.3
223.11139	1.4
225.05547	1.2
225.09059	1.7
226.06131	1.1
227.07014	2.3
229.04871	1.0
230.09428	0.7
233.09610	0.9
234.06734	0.8
235.07481	2.0
236.08279	4.3
237.05563	1.6
237.09151	2.0
238.06221	4.6
239.06966	2.6
240.07912	0.8
241.05009	1.9
241.08594	1.7
243.06482	0.7
247.07559	1.8
249.05360	1.6
249.09114	1.1
250.09821	0.9
251.06993	2.2
251.10672	2.6
252.07643	0.9
253.04964	1.1
253.08585	3.3
254.05763	1.2
255.06528	2.0
255.10263	1.3
256.07291	1.8
257.04422	1.9
257.11703	0.6
261.08868	1.0
263.07040	2.8
264.07837	7.4
265.05252	0.9
265.08542	3.4
266.05734	6.0
266.08426	0.8
267.06625	2.7
267.10117	2.1
268.07309	1.4
269.04483	5.3
269.07825	1.2
270.05209	1.0
271.06000	2.1
271.09616	0.7
275.07047	1.8
277.08591	1.9
278.09399	1.9
279.06656	1.6
279.10104	10.0
280.10587	1.0
281.04782	1.1
281.08084	8.2
281.11618	1.4
282.05429	0.7
283.06131	1.2
283.09613	1.6
284.06799	39.5
285.04388	1.1
285.07358	4.0
285.11197	1.0
286.04852	1.0
289.08597	0.9
291.06543	2.9
291.09482	0.7
292.07220	5.7
293.07907	3.2
294.05319	7.2
294.08548	1.3
295.06012	10.9
295.09579	1.5
295.13010	0.7
296.06689	1.2
297.04242	0.8
297.07489	1.5
298.08295	1.6
299.05643	1.3
299.09103	17.0
300.06354	0.8
300.09531	1.6
305.08102	2.6
306.08905	2.3
307.06183	2.0
307.09607	25.6
308.06738	1.6
308.10245	2.6
309.07547	11.8
309.11209	4.1
310.08182	1.3
311.09186	3.7
311.12808	1.8
312.06241	16.5
313.06839	3.1
313.10696	1.8
314.07761	1.0
315.08630	1.6
322.08286	4.8
323.09079	5.4
324.06183	1.5
324.09802	7.9
325.06964	1.2
325.10483	1.4
327.08615	100.0
328.08932	7.1
329.10187	1.8
337.10690	7.9
338.11298	2.7
339.08566	4.0
339.12283	18.3
340.12598	1.2
341.14090	0.7
343.11774	2.4
345.09894	0.9
354.10822	2.8
355.11697	4.3
369.13309	90.7
370.13632	7.3
387.14365	60.7
388.14651	6.0
662.14020	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.6
51.02378	1.2
53.00309	0.1
53.03947	4.1
55.01865	0.3
61.02898	0.1
66.10831	0.1
66.92482	0.1
67.48431	0.1
69.03419	0.6
70.34153	0.1
73.62569	0.1
77.03922	1.4
79.05496	0.1
81.03415	1.0
81.56097	0.1
85.02905	1.0
91.05460	0.1
95.04967	6.7
96.05286	0.2
97.02877	0.5
105.03391	100.0
105.04532	3.3
106.03715	2.5
109.02866	0.3
118.06544	0.1
123.04455	0.1
127.03929	0.3
145.04950	0.3
157.58842	0.1
167.07054	0.1
181.20769	0.1
187.07419	0.1
209.19035	0.1
211.07574	0.2
225.09053	0.1
227.07019	0.1
227.37251	0.1
235.11258	0.1
237.09114	0.1
239.06894	0.2
241.82455	0.1
248.08369	0.1
249.07507	0.1
251.07043	0.1
253.08662	0.2
255.06494	0.1
257.08151	0.1
259.06015	0.1
263.10739	0.1
265.08615	0.3
267.06284	0.1
267.08835	0.2
269.08231	0.1
271.09641	0.1
277.08716	0.1
279.10178	0.3
280.10861	0.2
281.08105	0.2
281.11758	0.1
282.08746	0.1
284.06842	0.2
285.07648	0.2
285.10995	0.1
291.09875	0.1
293.08173	0.1
295.09918	0.2
295.13287	0.4
296.13913	0.1
299.09146	0.3
302.07813	0.1
303.08600	0.2
304.09464	0.2
307.09671	0.2
308.10400	0.3
309.11243	0.2
311.09012	0.2
312.13559	0.1
313.10806	0.3
315.12274	0.1
317.10217	0.3
318.11063	0.2
323.12708	0.7
324.13446	0.2
325.10724	0.3
325.14212	0.1
327.15860	0.2
331.11691	0.1
332.12177	0.1
337.14587	0.1
339.12219	0.3
340.13287	0.1
341.13644	0.1
345.13303	0.1
353.13834	0.3
355.15381	2.2
356.16003	0.2
357.13342	0.4
369.17007	0.1
371.14923	0.4
372.15253	0.1
385.16510	0.9
386.16937	0.1
387.18008	2.6
388.18326	0.2
404.12711	0.1
421.12796	0.3
422.13586	0.1
427.15454	0.1
435.14209	0.5
436.14862	0.1
449.15930	0.7
459.18027	0.9
460.18719	0.3
473.20035	0.1
476.18048	0.1
491.20636	15.1
492.20959	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.8
55.05513	55.0
63.97103	1.6
67.05481	2.3
69.03413	2.0
69.03769	7.8
69.04198	7.2
71.08630	1.7
79.05464	3.4
81.07055	14.8
83.04981	68.9
91.05465	5.2
93.07046	3.2
95.04950	4.7
95.08606	6.5
97.02884	2.0
99.04446	4.1
105.07034	5.4
107.08588	4.3
109.06516	13.0
117.07009	3.4
119.08588	3.9
121.06445	2.4
123.08060	9.3
128.06190	3.5
129.06940	3.9
131.08598	3.5
133.06470	4.2
133.10088	2.6
137.05977	24.7
139.07515	1.6
139.97507	1.5
143.08504	4.9
145.06451	10.9
145.10146	1.7
147.08052	5.8
149.05920	2.1
149.09566	1.7
151.07539	4.4
153.06970	1.7
155.08540	6.2
157.06529	3.0
157.10150	2.0
159.08043	4.8
165.09061	1.9
167.08508	2.1
169.06497	4.4
169.10025	2.4
170.72865	1.6
171.08043	9.2
173.05962	2.1
173.09689	3.0
175.07593	3.1
177.09096	1.8
178.07794	1.7
178.22943	1.6
179.08438	3.2
181.10075	2.5
183.08064	7.9
184.08795	3.0
185.05974	1.6
185.09607	4.2
187.07460	2.4
192.09381	2.0
193.08545	2.0
193.10147	4.0
195.08118	5.5
195.11653	2.4
197.05980	2.3
197.09666	3.9
199.07559	3.5
201.09131	2.1
204.09227	1.6
205.10132	2.3
206.10973	1.9
207.11703	4.3
209.09642	7.0
209.13257	2.7
211.07535	3.5
211.11162	2.5
217.10129	4.2
219.11736	3.3
220.08720	2.8
221.09666	6.9
223.11195	2.3
225.09195	1.7
225.12817	3.3
226.83232	1.7
227.10693	2.4
232.08742	2.9
233.09642	4.5
233.13260	3.7
235.11166	10.5
236.11906	2.2
237.09070	3.2
237.12747	5.6
239.10680	3.2
243.10004	2.2
245.09615	6.0
246.10306	3.1
247.11186	5.5
247.14883	2.5
248.12010	1.8
248.15379	1.8
249.09062	1.9
249.12775	5.7
251.10579	3.1
251.14240	4.9
253.12265	2.8
257.13458	2.4
259.11136	4.2
260.12128	2.2
261.12866	8.2
263.10666	8.2
263.14243	2.6
265.12112	4.1
265.15918	3.0
267.13815	1.8
275.14282	13.7
276.14917	2.5
277.12173	5.9
277.15570	1.6
279.10062	4.7
279.13831	6.0
281.11743	8.9
285.12555	4.8
286.13437	2.2
287.10556	2.5
289.12161	3.6
291.14001	2.4
291.17331	2.8
293.11987	2.8
293.15393	7.8
295.13351	2.5
297.11310	1.7
301.15497	1.8
303.13727	11.9
304.14117	1.7
305.11740	4.5
307.13303	2.5
317.15393	3.5
319.13312	1.8
319.17078	2.3
321.14828	6.1
323.12881	2.6
331.13110	2.0
335.16196	2.2
341.13730	1.6
345.14813	3.6
363.15851	4.9
373.18063	8.1
375.19626	2.8
377.17535	3.7
381.17026	12.0
383.16165	2.9
391.18991	14.8
401.17484	40.5
402.17786	3.3
403.15347	5.0
409.19928	3.6
415.18744	2.2
417.20743	7.9
419.18506	100.0
420.18832	9.8
421.16385	3.9
433.20044	2.5
435.22064	8.9
437.19556	49.4
438.19794	3.9
443.18414	12.7
451.21231	3.0
453.23044	2.4
461.13464	3.2
461.19598	41.7
462.19962	3.2
479.20615	52.7
480.20901	8.8
497.21747	20.7
498.21756	2.5
515.22510	2.7
519.23590	2.5
521.21674	3.1
539.23254	3.1
561.25085	2.5
579.25806	5.9
597.26788	4.3
639.27533	4.6
688.32867	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26731	0.4
53.03938	1.8
55.01873	5.9
55.05510	10.5
57.03438	6.8
57.07060	0.9
59.05003	3.2
61.02924	3.4
67.05505	8.3
69.03426	1.2
69.07079	2.6
71.01331	1.0
71.04992	2.3
73.02908	0.9
79.05492	13.4
81.03418	8.6
81.07057	11.6
83.01336	7.8
83.04980	7.1
83.08617	7.4
85.02904	5.2
90.12655	0.5
91.03952	0.9
91.05476	9.8
91.49157	0.5
93.07042	16.3
95.04970	4.2
95.08605	5.0
95.57612	0.4
97.02883	3.0
97.06540	2.6
97.10177	1.1
98.23411	0.8
99.04465	2.2
105.07033	6.2
107.04950	6.0
107.08589	8.6
109.06508	4.7
109.10142	1.8
111.04438	2.1
111.08065	0.9
117.07018	5.3
119.08572	6.6
121.06515	2.6
121.10139	5.5
123.08057	6.7
123.11658	0.4
125.05984	2.0
125.09629	0.9
129.06952	0.8
130.07895	0.5
131.08583	2.3
133.10114	1.9
135.08073	1.5
135.11688	7.8
135.15608	0.6
137.09607	0.9
143.08557	0.5
145.10123	11.7
147.08052	1.7
147.11703	0.6
149.09552	0.5
153.12724	1.6
155.08517	0.8
163.11182	16.0
164.11523	1.0
173.09639	2.3
181.12227	2.0
181.43530	0.5
191.10658	2.0
209.11696	6.0
227.12753	3.2
243.03545	0.5
246.88126	0.5
277.58752	0.5
283.15387	100.0
284.15656	6.0
344.43250	0.6
371.24060	0.5
387.17841	0.8
491.26361	45.1
492.26758	4.9
604.35797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35759	2.9
53.03933	7.4
55.05510	25.5
57.03431	11.8
65.03932	4.0
66.93203	3.0
67.05181	4.5
67.05509	50.1
69.07056	12.2
69.80312	14.3
71.04993	4.9
73.06564	4.1
79.05061	5.6
79.05495	73.5
80.45523	3.0
81.03418	61.9
81.07056	44.2
83.04991	17.4
83.08620	20.2
83.68868	2.9
85.02887	18.5
85.88693	2.9
90.27740	2.8
91.05481	69.1
93.07042	58.2
94.07394	4.3
95.04978	34.9
95.08611	26.0
97.02905	5.9
97.06526	7.6
97.10174	4.6
98.22662	3.7
105.07036	42.3
107.04947	10.9
107.08583	12.6
109.06525	8.6
109.10159	4.9
111.08068	7.5
117.07002	7.2
119.08588	29.8
121.06515	5.1
121.10140	12.2
123.08070	7.2
129.07028	20.9
131.08543	13.0
133.10150	21.9
143.08548	8.6
145.10120	12.0
147.08069	3.6
147.11688	35.3
149.09625	5.8
157.10126	13.8
160.74738	3.2
161.13248	8.1
171.11687	20.2
175.11217	10.8
189.12758	8.7
193.12271	36.2
207.13828	19.6
211.13292	46.6
267.15927	40.8
281.17480	72.1
282.17773	5.6
285.16940	37.1
286.17383	4.5
313.70630	3.2
473.28937	100.0
474.29489	14.6
491.30048	84.7
492.30188	9.8
514.11737	3.9
699.17120	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93491	1.1
55.05508	15.4
57.03429	13.2
57.07074	4.2
59.05003	2.8
60.08166	1.4
61.02924	3.3
65.03946	2.8
67.05505	100.0
68.05835	2.8
69.07066	15.9
71.04997	2.4
71.08615	2.2
73.02893	1.8
79.05497	11.5
81.03410	1.5
81.07056	45.7
83.04964	1.8
83.08623	11.5
85.02898	3.2
85.06537	2.9
86.09708	7.2
89.06032	1.7
89.84148	1.2
91.00733	1.3
91.03969	2.2
91.05472	10.8
93.07045	13.5
95.04965	2.4
95.08604	37.5
97.02923	2.1
97.06532	2.1
97.10158	4.8
104.24228	1.1
105.07009	4.3
107.08588	7.3
109.10154	71.0
109.38210	1.2
110.10497	2.8
111.08083	3.8
117.07024	1.2
119.08572	9.5
121.10147	4.6
123.11708	5.2
125.00012	5.3
133.08624	1.3
133.10126	5.3
135.11703	3.6
137.09610	2.8
137.13313	2.2
147.11725	2.3
149.13231	2.5
155.10640	3.8
161.13234	3.1
173.11751	18.7
175.14818	1.5
184.07344	26.6
227.12711	2.2
229.14342	91.0
230.14670	4.7
245.22610	1.8
258.52826	1.5
263.23721	4.6
284.26794	1.3
337.27347	71.3
338.27774	7.3
341.59680	1.2
491.37323	75.7
492.37589	8.8
493.34158	1.3
618.22925	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19424	0.9
53.03939	1.1
53.97352	1.0
55.05510	12.9
56.99305	1.1
57.03433	8.4
57.07071	2.8
59.05005	2.9
60.08159	2.2
61.02926	2.5
61.96549	0.9
65.03952	1.8
67.05505	80.3
68.05846	1.9
69.03080	3.2
69.03499	6.8
69.07068	11.8
71.04999	2.3
71.07407	1.3
71.08620	1.3
73.02916	0.8
74.76244	0.7
79.05484	8.9
81.03426	1.3
81.07056	30.7
83.04986	2.7
83.08626	10.3
85.02911	3.9
85.06542	1.6
86.09711	13.2
91.03938	1.4
91.05470	9.1
93.07047	12.8
95.04968	1.0
95.08610	22.5
96.08951	1.4
97.02909	1.5
97.06548	2.4
97.10157	4.4
97.55148	0.9
98.23418	1.6
98.98489	1.5
99.08092	1.5
104.10757	1.4
105.07022	5.7
107.08599	7.7
109.10155	66.1
110.10518	2.5
111.08095	2.4
117.06994	1.6
119.08575	8.7
121.10156	4.8
123.11707	4.9
125.00007	8.9
131.08559	1.3
133.10175	3.0
135.11725	4.2
137.09653	2.9
145.10159	2.8
147.11707	2.6
149.09601	1.5
149.13200	1.8
151.11150	0.9
155.10664	4.2
161.13316	1.9
163.14873	0.9
173.11734	19.6
173.12854	1.0
175.14853	1.8
184.07344	48.2
184.85970	0.8
185.07803	1.6
189.16537	1.1
203.18025	1.1
227.12766	1.2
229.14342	100.0
230.14609	5.3
245.22626	2.2
255.15901	3.3
263.23706	3.2
311.25848	1.8
316.68619	1.0
337.27347	59.0
338.27719	6.6
491.37320	54.0
492.37616	6.7
499.84570	1.0
509.38391	1.2
573.48840	1.9
688.45740	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.1
57.04089	0.5
57.07078	31.9
60.08145	0.8
67.05500	1.6
68.44729	0.7
69.07065	3.9
69.12033	5.3
69.82107	0.6
71.08633	28.3
73.02897	0.7
73.06557	9.2
79.05468	0.7
81.07055	1.3
83.08614	2.4
85.10185	17.0
86.09694	4.2
86.10500	0.7
87.04469	9.7
89.06033	100.0
90.06377	1.1
90.30293	0.7
91.05482	1.3
91.07603	1.2
93.07063	1.5
93.73382	0.6
95.04961	0.6
95.08598	1.8
97.10165	4.0
99.11749	3.5
100.05558	0.7
100.60970	0.7
103.24406	0.8
104.10738	0.7
105.03391	0.8
105.07055	0.9
107.04980	0.9
107.07070	2.9
107.08634	1.4
109.10150	0.9
111.11728	2.2
113.13293	1.5
115.19525	0.8
117.09131	7.6
117.09896	1.0
119.08570	0.7
121.10147	0.8
124.99995	2.8
127.14857	0.8
130.08632	1.7
131.07065	3.0
133.08607	50.8
134.08994	1.3
135.10196	0.9
137.05949	1.0
146.98257	0.9
152.92192	0.7
156.72231	0.9
161.11757	2.9
161.13075	0.8
163.07510	1.0
169.19560	4.3
175.09723	1.8
177.11232	19.1
184.07344	11.6
185.07790	1.0
202.61630	0.8
213.22177	3.1
221.13901	3.7
239.14848	1.0
247.22580	0.7
257.24741	7.3
283.17673	1.0
301.27304	4.3
365.10599	0.7
371.22714	1.0
397.12836	2.8
486.15305	0.7
503.30692	1.4
505.34653	1.1
527.15692	0.8
573.48859	0.9
629.33978	1.6
671.49573	1.7
688.41992	1.3
688.52911	1.4
689.41913	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.05514	19.2
57.03446	1.1
67.05506	4.5
69.03413	1.6
69.07072	2.5
73.08096	1.1
79.05509	3.2
81.03416	1.9
81.07069	4.7
83.04980	16.7
84.51619	1.1
91.05491	2.9
93.07044	3.7
95.04961	2.8
95.08617	4.1
105.07023	3.1
107.08604	3.5
119.08633	1.5
121.10134	1.1
125.09659	1.1
131.08478	1.2
133.10161	1.5
135.11732	1.4
145.10147	1.8
158.32381	1.1
165.07028	2.2
169.10167	1.4
178.07823	1.7
179.08600	3.5
184.07336	1.4
207.08038	10.9
209.09592	1.4
221.05907	1.4
222.06775	1.2
223.07533	1.4
226.06068	1.6
227.07071	1.3
228.99435	1.5
235.07610	7.2
236.08069	1.3
249.05559	4.2
250.06238	10.4
251.07097	4.1
252.07762	2.8
253.04958	1.5
263.06976	1.1
265.08594	44.0
266.09171	3.3
267.06577	1.4
267.10126	1.4
281.04651	2.2
281.08051	2.2
293.08102	6.4
309.07547	2.9
319.06161	1.4
325.10703	15.5
326.11038	2.1
337.07108	1.5
369.09601	5.4
397.09305	1.5
463.11655	5.0
567.12616	100.0
568.12805	10.0
689.16125	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.05510	1.4
57.03428	1.0
57.82988	0.4
61.02926	4.1
65.04253	0.3
67.05505	3.6
69.03433	2.3
69.07080	0.7
71.01352	0.4
71.05004	0.6
73.02916	3.1
79.05496	5.7
81.03438	2.4
81.07062	4.0
83.04985	1.5
83.08595	0.6
85.02906	3.4
91.03983	2.1
91.05480	5.3
92.29736	0.4
93.07047	5.0
95.04982	1.6
95.08609	2.4
95.84260	0.3
97.02892	3.1
99.04495	0.6
101.02390	1.3
105.07026	4.2
107.04961	0.4
107.08597	1.7
109.02900	0.7
109.06533	0.8
117.07044	1.0
119.08595	2.1
121.06512	0.5
121.10189	0.6
127.03931	1.0
129.06992	1.8
131.08578	0.4
133.10191	1.3
142.37744	0.3
143.08580	0.5
145.10150	1.3
147.08083	0.4
147.11696	2.1
161.13319	1.3
171.11710	2.3
184.07433	0.6
189.12819	0.4
229.29579	0.5
243.08411	2.1
247.13057	2.1
254.88721	0.3
303.15701	0.8
403.08707	0.4
416.00558	0.4
465.20987	15.6
466.21378	1.7
664.32880	0.4
689.35028	100.0
690.35358	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.4
53.03761	0.6
53.03951	8.1
55.05519	0.9
60.05641	1.3
60.50352	0.6
67.05502	1.8
69.59869	0.6
71.30758	0.8
72.74802	0.7
77.03912	2.5
79.05504	1.3
81.03404	1.9
81.07070	1.9
83.04985	0.8
86.09706	1.8
88.26923	0.6
91.05476	1.6
93.07055	1.6
93.52460	0.7
95.04972	10.1
95.08604	0.9
98.98455	0.7
102.13898	0.6
105.03392	100.0
105.04536	3.6
105.07013	1.5
106.03721	2.7
107.08595	0.8
107.50722	0.7
119.04968	1.0
121.10191	0.9
125.00017	1.1
126.72912	0.7
129.06973	0.7
135.69334	0.6
167.08575	0.8
175.03883	1.2
178.07736	1.1
179.08560	1.9
181.06468	1.4
184.07339	5.4
189.01807	1.2
195.07996	0.9
199.07596	0.8
205.08537	1.0
207.08080	2.1
208.05345	0.7
209.06029	1.2
210.06702	0.9
211.07462	0.7
213.05504	1.3
216.99487	0.8
217.01437	1.8
221.06009	1.3
223.07643	1.8
225.09062	1.6
227.03511	1.0
227.07056	2.0
229.04993	0.7
235.07550	2.9
237.05522	1.8
237.09015	0.8
238.06215	1.7
239.03323	0.7
239.07051	3.0
240.07939	0.9
241.04886	0.8
241.08655	0.9
243.06602	1.2
249.05536	1.2
250.06180	1.3
251.07025	2.9
252.04289	1.1
253.04967	2.3
253.08583	2.5
255.02809	0.9
255.06532	1.1
257.04361	0.9
263.07059	3.0
265.08783	6.5
266.05768	1.9
267.06482	3.9
268.07425	0.9
269.08081	1.0
270.05176	0.9
277.05200	1.3
279.06464	2.9
280.07330	0.9
281.04855	0.9
281.08020	10.5
282.08841	2.6
283.09622	1.9
285.07874	0.7
287.05991	0.8
287.08981	3.2
291.06534	2.2
292.07236	0.9
293.08038	5.2
294.05365	1.5
294.08548	0.8
295.05957	5.0
296.06659	1.3
297.07468	1.0
299.09201	1.1
309.07529	12.2
310.08212	2.1
311.09082	3.3
313.10559	1.1
315.05023	1.3
319.06180	3.3
320.06885	0.8
321.07703	0.8
323.05475	1.5
323.09186	1.8
325.03336	2.0
325.07019	1.3
325.10645	11.0
326.11002	1.3
327.08676	2.2
337.07095	11.9
338.07510	1.3
341.10168	2.3
351.08807	4.0
353.10202	1.4
355.08282	1.6
365.06625	3.1
369.09680	26.7
370.10074	2.0
371.07581	1.5
379.08173	2.4
385.12341	0.8
386.13376	0.8
397.09143	6.6
399.14117	1.8
400.15009	4.2
401.15649	3.1
413.15768	3.1
414.16455	4.3
415.11389	3.6
415.16989	1.9
416.12729	0.7
427.17804	1.1
428.18536	3.8
429.11771	5.5
429.18375	3.8
430.19482	2.4
442.15302	1.6
443.16669	2.3
455.16992	2.2
456.17413	7.5
457.17834	3.5
459.16113	1.2
460.16443	0.8
483.16409	1.3
484.17010	5.6
485.16779	1.3
488.15915	1.2
500.16351	1.3
512.20007	1.2
519.12714	1.2
528.15674	4.6
529.15710	2.8
540.19458	1.9
544.22534	5.1
571.21954	1.6
572.22150	16.9
573.22089	3.7
575.24597	1.3
602.23059	2.4
603.23828	8.9
604.23779	1.8
616.21179	0.9
630.22626	7.2
631.22601	7.0
658.22137	11.8
659.21893	2.2
662.25665	1.6
690.25134	4.1
691.24554	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.9
51.02388	1.4
52.48432	0.2
53.03947	6.2
55.01871	0.5
55.05494	0.7
55.54277	0.2
60.08160	0.7
61.02942	0.3
67.05522	1.1
69.03426	0.3
69.07066	0.4
69.48702	1.1
69.49127	0.4
71.07378	0.4
77.03922	1.9
79.05489	0.8
81.03420	1.7
81.07053	1.3
83.04991	0.4
83.08616	0.3
85.02922	0.4
86.09705	2.4
87.10040	0.5
89.06015	0.2
91.05463	1.4
93.07039	1.7
95.04964	8.0
95.08589	1.2
97.02884	0.5
97.06569	0.4
105.03391	100.0
105.04536	4.1
105.07014	1.0
106.03719	3.3
109.10162	0.4
117.07018	0.8
119.08609	0.6
121.06481	0.2
121.10153	0.5
125.00024	1.8
127.03905	0.3
128.06175	0.2
131.08595	0.5
133.10124	0.6
135.11711	0.4
139.03928	0.3
141.07014	0.3
143.08540	0.6
145.10141	0.3
147.11711	0.3
149.09584	0.6
151.03842	0.2
152.06168	0.3
155.08484	0.3
159.11725	0.6
165.01875	0.3
165.07069	0.4
166.07684	0.2
167.08615	0.7
169.06494	0.3
169.10135	0.2
171.11708	0.5
175.03918	0.6
177.05582	0.2
177.09105	0.7
178.07726	0.3
179.08557	0.6
181.06538	0.5
183.08101	0.3
184.07332	9.5
185.07697	1.9
186.07776	0.4
189.01790	1.4
195.08052	0.7
205.04945	0.3
205.06738	0.4
205.08493	1.2
207.08104	1.1
209.05969	0.7
211.07503	0.4
213.05444	0.4
217.01311	1.8
221.05952	0.3
223.07532	1.8
224.08243	0.3
225.05533	0.3
225.09161	0.4
227.03427	0.8
227.07037	1.0
229.05006	0.3
233.05923	0.5
235.07530	1.5
237.05452	0.8
238.06180	0.7
239.03427	0.4
239.06931	1.5
240.07802	0.3
241.08571	0.3
243.06476	1.1
249.05550	0.7
250.06306	0.9
251.06964	1.6
252.04192	0.4
252.07732	0.4
253.04965	0.8
253.08629	1.6
254.09375	0.3
255.02849	0.6
257.04483	0.5
261.05484	0.4
263.07037	2.1
264.07779	1.1
265.04953	1.0
265.08768	2.1
266.05801	1.6
266.08444	0.3
267.03030	0.3
267.06519	5.1
268.07031	0.6
269.08139	0.4
270.05270	0.8
271.05890	0.4
273.03915	0.3
277.03271	0.4
277.05188	0.2
277.08524	0.3
278.05682	0.4
279.06381	1.7
279.09326	0.3
280.07224	0.6
281.04517	0.8
281.08060	7.0
282.01663	0.3
282.05655	0.2
282.08783	5.1
283.02469	0.3
283.09528	0.5
285.03964	0.3
285.07333	0.2
287.09100	1.7
291.06497	2.0
292.07220	1.2
293.04691	0.5
293.07953	2.8
294.05176	1.0
294.08353	0.3
295.06064	3.3
295.09375	0.5
296.06818	0.5
297.04025	0.3
298.04813	0.4
299.09216	0.7
308.06708	0.5
309.03961	0.6
309.07562	12.1
310.08090	1.7
311.09137	0.5
313.06958	0.5
313.10757	0.5
314.10886	0.4
315.04901	0.9
319.06009	2.7
320.06668	0.3
321.07617	0.6
323.05542	0.6
323.09158	1.8
324.09799	0.6
325.03458	2.3
325.10626	0.8
327.08609	0.9
337.07065	8.0
338.07571	0.5
341.10251	1.2
347.05673	0.4
351.08566	3.9
352.08902	0.5
353.10056	0.7
355.08102	0.6
355.15271	0.4
357.06064	0.4
365.06546	1.5
369.09683	18.0
370.10199	1.4
371.07672	0.9
379.08044	2.0
383.11230	0.7
397.09140	5.9
398.09406	0.3
411.10706	2.0
415.10379	0.7
429.11813	7.2
430.12112	0.8
501.11734	0.7
519.12604	0.6
527.37311	0.7
528.37531	0.6
533.14587	1.3
572.21979	0.4
603.23792	0.3
631.22522	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
57.03432	2.1
68.65313	1.6
69.03413	1.9
69.05433	16.3
70.86294	1.8
73.02888	2.8
75.54169	1.8
77.27599	1.7
79.05489	4.5
85.02907	1.8
91.05482	20.4
94.04106	1.4
95.04973	2.5
97.02883	1.6
103.05482	15.5
105.07031	12.9
105.33546	1.7
107.04954	31.1
109.06491	3.0
115.05396	2.2
117.07044	2.5
117.90928	1.9
118.96885	1.9
119.04956	18.3
119.05815	2.2
121.06505	7.4
122.03658	6.1
129.07008	8.3
131.04919	20.0
131.05811	2.2
131.08556	3.2
133.06483	7.5
135.08064	7.4
137.05978	93.7
138.06297	3.5
140.06308	1.9
145.56192	1.9
146.07310	2.9
147.04364	13.0
148.05194	3.2
149.05957	7.8
151.03880	2.2
151.07544	51.2
152.07852	3.8
157.06496	5.2
161.05984	100.0
161.09610	20.2
162.06644	7.0
163.03920	1.9
163.07542	50.8
164.76382	1.7
165.09134	3.6
167.08539	3.4
174.06720	5.3
175.07556	15.6
177.09100	3.4
178.07788	2.1
179.07031	3.8
181.08623	12.7
189.09103	71.6
191.07037	3.7
193.06546	2.2
193.10178	2.5
195.08054	6.6
199.14990	1.7
207.10161	99.6
208.10513	4.1
209.06087	2.2
212.08319	2.8
219.10121	9.7
221.05942	1.8
221.09645	2.8
223.07523	3.9
224.08160	2.1
225.09106	2.9
227.10657	12.0
237.09059	2.4
240.07874	2.4
249.09314	3.4
253.08748	4.5
253.12247	7.1
255.10165	16.4
261.51428	2.0
265.08618	3.3
267.10098	2.5
281.11646	2.2
285.11227	11.2
287.12793	37.7
288.13004	2.7
297.11188	3.7
299.12711	7.1
301.14392	2.1
311.12729	17.8
313.14313	35.4
314.14600	3.2
325.14438	2.9
331.15381	74.3
332.15826	6.0
343.15308	7.7
383.11185	6.1
577.48145	2.0
627.75739	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20562	1.9
53.03944	3.3
55.05512	91.0
56.18217	1.7
57.03426	2.5
57.03835	2.0
67.05502	8.9
69.03433	3.0
69.07073	3.9
69.81682	5.7
79.05515	9.8
81.03414	4.9
81.07048	21.2
83.04982	100.0
83.08620	1.9
91.05480	11.0
92.86205	1.9
93.07050	9.0
95.04950	9.0
95.08609	11.8
97.02881	7.0
97.06525	2.1
99.04467	1.7
105.07033	5.4
107.05002	2.4
107.08597	6.1
107.67771	1.9
109.02843	1.9
109.06502	11.3
109.10134	2.5
111.04452	4.5
111.08041	2.4
117.06999	5.4
119.08596	5.6
121.06486	2.5
123.08068	6.7
128.06184	2.6
129.07016	5.1
131.04910	3.0
131.08588	5.3
133.06485	4.7
133.10121	3.4
135.08072	2.8
137.05983	22.8
143.08612	4.1
145.06506	11.6
145.10127	2.2
147.08084	5.2
153.05469	5.6
153.06963	2.5
155.08557	6.4
157.06467	3.0
157.10141	6.5
159.08055	5.4
163.07535	2.2
164.84796	1.9
165.07008	4.5
166.07780	2.5
167.08563	3.8
169.06520	2.4
169.10112	3.1
171.08020	10.1
172.48340	2.0
173.05905	3.0
173.09650	5.3
179.08530	4.2
181.10121	4.7
183.08105	10.2
183.11745	2.3
184.08810	2.6
185.09621	5.2
187.07503	3.5
191.08575	3.4
193.10124	8.2
195.08049	4.8
195.11731	2.5
197.09579	4.4
199.07542	2.4
203.08557	2.8
205.10124	5.2
207.08012	6.0
207.11636	5.2
208.12212	2.1
209.07869	2.2
209.09645	8.2
210.10329	2.4
211.07523	3.9
211.11234	3.4
211.13159	2.8
213.09157	2.1
216.09232	3.2
217.10208	3.6
219.08014	3.1
219.11688	4.3
220.08861	2.3
221.09622	7.6
221.13235	1.9
222.10413	2.3
223.11157	5.3
225.09172	4.6
230.10829	1.9
232.08833	2.0
233.09567	10.0
234.10358	4.3
235.11116	8.1
236.11873	2.8
237.09062	4.5
237.12633	6.0
244.12465	2.2
245.09657	4.7
246.10387	3.5
247.11143	9.4
249.08846	2.4
249.12750	5.7
251.10692	5.8
251.14220	4.5
253.12285	3.0
257.09549	2.6
258.10233	2.6
259.11243	6.1
259.14792	2.2
260.12070	2.3
261.12802	5.2
263.10687	6.8
263.14172	2.7
264.11331	3.2
265.12305	5.4
265.15555	1.9
271.11145	2.0
273.12802	3.3
275.10739	5.6
275.14368	11.9
276.15033	2.2
277.12311	6.1
277.15643	3.4
277.94873	2.3
279.10013	2.3
281.08508	1.8
281.11749	6.9
284.11685	2.0
285.12689	3.8
285.16949	2.3
287.14243	4.6
289.12326	3.2
291.13846	5.1
293.11700	3.9
293.15262	3.4
303.13849	5.3
305.15460	2.6
309.11127	3.2
321.14902	4.4
333.14984	3.6
337.14230	3.2
357.13431	2.4
361.14111	2.6
373.18033	3.9
379.15338	2.2
385.17651	2.1
391.14920	3.2
391.19415	3.8
396.83926	2.1
397.16394	7.6
401.17548	20.4
402.17969	5.5
403.18994	6.9
413.17459	3.5
415.19061	4.6
417.16791	3.0
419.18619	38.3
420.18878	7.1
421.20038	6.4
431.18530	11.7
433.20337	5.2
437.19751	14.7
441.17462	2.3
449.19556	17.9
451.21146	4.0
459.17834	8.0
467.20770	18.5
473.28442	2.5
475.30969	2.1
477.19067	23.9
478.19092	3.6
493.29416	2.3
495.20102	42.1
495.27295	2.7
496.20554	6.8
497.21487	2.2
509.21851	2.2
513.21063	6.8
527.22736	5.4
567.25714	7.6
595.25116	8.5
609.26752	2.6
613.26337	2.6
627.27075	3.5
655.27216	7.8
672.95782	2.3
688.54633	2.3
691.32465	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19409	1.0
53.03951	2.0
53.33299	0.9
54.32624	0.9
55.01861	1.3
55.05516	2.3
57.28889	1.0
67.05498	3.3
69.03421	4.6
69.07063	1.2
70.19456	3.4
71.04982	8.7
71.93539	1.1
79.05493	6.4
81.03402	1.7
81.07059	27.6
83.04971	2.3
87.11594	0.9
89.99294	1.0
90.02339	1.0
91.05477	5.4
93.07041	4.2
95.04962	6.4
95.08612	9.0
97.02871	3.5
97.06533	2.5
99.04447	7.0
105.07048	5.2
107.04954	2.2
107.08590	4.4
109.06512	19.1
111.04398	1.3
111.08086	1.2
115.05452	1.9
117.07028	3.6
119.04873	1.3
119.08597	5.0
121.06489	4.0
123.08069	12.7
125.09669	1.7
128.06190	2.7
129.07030	5.2
131.04904	1.4
131.08569	2.7
133.06499	4.5
133.10100	2.2
135.08015	3.1
137.05977	47.2
141.06976	2.8
143.08554	8.2
145.06482	15.4
145.10127	2.4
147.08061	8.0
149.06003	2.6
149.09697	1.7
151.07501	4.0
153.06998	3.4
154.07759	2.1
155.07143	2.1
155.08551	8.0
157.06523	5.3
157.10123	2.9
158.07262	1.7
159.04399	1.4
159.08057	7.0
159.11687	1.0
161.05986	2.3
161.09618	3.7
163.07637	1.5
165.07022	4.2
165.09087	1.3
166.07829	1.3
167.07030	1.9
167.08557	3.9
168.09317	1.2
169.06494	2.2
169.08649	1.5
169.10112	3.5
170.07211	1.0
171.08069	14.6
172.08821	1.9
173.05981	2.0
173.09631	4.2
175.07513	5.5
177.09111	3.1
178.07813	4.1
179.08600	5.8
181.06537	2.1
181.10071	5.2
182.07260	1.6
183.08003	10.1
183.11621	1.3
184.08743	2.5
185.09636	6.9
186.10008	1.2
187.07561	3.2
187.11179	1.7
189.09119	2.3
191.07074	1.5
191.08615	3.8
192.09349	4.1
193.08583	2.1
193.10138	5.7
194.07320	1.1
195.08055	7.3
195.11743	4.0
196.08818	3.4
197.05942	1.5
197.09599	8.7
199.07541	3.9
199.11198	2.4
201.09087	3.0
202.07742	2.7
203.08595	4.5
204.09254	3.4
205.08653	0.9
205.10205	8.4
206.10841	2.3
207.08012	4.0
207.11713	6.5
208.08789	2.3
208.12254	1.2
209.09625	9.2
209.13194	1.5
210.10263	1.9
211.07571	3.6
211.11183	5.1
212.08331	1.0
213.09129	3.8
215.08667	1.9
215.10619	1.2
216.09381	2.2
217.10172	6.6
218.07436	1.6
218.10878	3.7
219.08060	4.4
219.11734	7.2
220.08832	4.8
221.09647	9.4
221.13261	4.1
222.10347	2.4
223.07573	1.4
223.11270	5.2
223.14670	1.5
225.09142	1.9
225.12703	2.8
227.10759	1.2
228.09187	1.4
229.10106	3.4
230.10902	3.0
231.08127	1.8
231.11668	3.9
232.08806	4.0
232.12399	2.5
232.92491	1.1
233.09663	10.2
233.13249	4.5
234.10370	3.3
235.07520	1.8
235.11180	15.9
236.11917	2.7
237.09129	4.2
237.12753	8.6
238.09868	1.4
239.10649	2.9
239.14456	1.5
241.10168	1.6
242.10970	3.3
243.11787	3.0
244.12437	1.7
245.09610	9.3
245.13200	3.3
246.10408	7.3
246.13928	1.2
247.11194	9.2
247.14874	5.1
248.08150	1.2
248.11855	2.7
249.09106	3.6
249.12840	8.0
249.15298	1.3
249.16272	1.2
250.13432	1.8
251.10664	3.4
251.14319	6.1
253.12244	4.5
256.12561	1.4
257.13480	6.8
258.13901	1.8
259.11279	8.9
259.13971	1.2
260.12036	6.4
261.09036	1.9
261.12759	14.2
262.09933	1.1
262.13498	2.2
263.10660	10.6
263.14294	4.0
264.11417	4.7
264.14819	1.1
265.08664	1.5
265.12213	4.7
265.15854	4.7
267.09940	1.8
267.13889	1.7
270.10382	3.0
271.11075	2.0
272.12048	1.7
273.12766	5.7
274.09729	1.3
274.13406	2.0
275.11072	2.2
275.14270	20.9
276.11658	1.5
276.14978	3.1
277.12411	6.0
277.15875	4.5
278.12994	1.3
278.16660	1.4
279.10159	3.1
279.13770	6.0
281.11661	10.1
281.14841	1.2
284.11884	2.0
285.12845	9.9
286.13394	2.1
287.10709	2.5
287.14102	2.2
288.11423	2.1
289.12225	3.2
289.15649	1.4
291.13745	4.2
291.17114	2.3
292.14426	1.4
293.12091	1.5
293.15277	10.2
295.13300	2.9
299.14066	1.3
301.12164	2.7
301.15860	2.3
302.12866	1.4
303.13773	15.0
304.14337	3.4
305.11710	4.3
305.15115	2.0
307.13376	4.3
309.14877	1.4
317.15262	3.2
319.13364	3.0
319.16861	2.3
321.14758	8.0
323.12939	2.8
324.13733	1.3
325.14258	2.2
331.13141	1.5
333.14816	1.5
335.16467	2.9
337.15195	1.1
339.16141	1.6
345.14969	4.8
345.18607	1.3
349.18182	1.8
351.16226	1.2
354.17828	1.2
355.16824	2.4
357.14841	1.1
359.16495	1.8
361.14291	1.2
363.15894	8.5
363.19800	2.2
364.16415	1.4
373.17996	11.0
374.18304	1.4
375.15469	2.1
375.19681	5.7
381.16855	7.9
383.16324	4.2
391.19107	12.5
392.19427	1.5
393.16589	1.9
393.20917	1.9
397.17572	2.1
399.19388	1.7
401.17465	46.1
402.18027	4.8
403.15338	2.6
409.20029	3.3
415.18994	3.3
417.20953	12.0
418.20889	2.1
419.18515	100.0
420.18762	11.5
421.16388	1.8
433.20117	3.3
435.22183	9.3
437.19580	48.6
438.19910	4.9
443.18457	14.2
451.21060	3.2
453.23346	2.0
455.20514	3.2
461.19580	46.8
462.20096	5.2
479.20639	52.5
480.21091	6.0
497.21704	19.0
503.20285	1.3
517.22058	2.9
521.21680	8.3
535.23022	4.4
539.22351	3.2
553.24585	1.5
559.22565	1.2
577.24518	6.4
595.25128	5.8
613.26312	2.7
655.27441	13.4
656.27338	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49412	1.9
53.03954	2.7
55.05509	40.9
56.05825	1.9
65.36681	1.9
65.41067	1.9
67.05502	2.7
69.03442	6.0
71.31222	2.2
79.05505	11.4
81.07059	64.0
81.07529	4.3
82.07421	2.7
83.04981	49.1
84.81415	1.7
85.73405	1.7
91.05482	4.2
95.08611	4.8
105.03415	2.4
105.07093	2.2
109.06520	21.0
111.04453	2.3
119.04961	2.4
119.08572	4.3
120.46998	1.9
121.06493	2.3
123.08098	3.9
125.00062	1.9
129.07031	2.3
134.45786	1.9
135.08070	2.5
137.05972	100.0
138.06320	2.3
145.06453	3.0
147.08073	2.5
153.05464	1.9
155.08569	6.5
157.06517	4.1
159.08073	2.5
163.07587	1.9
165.07008	3.0
166.07867	1.8
167.08560	3.1
170.27745	2.0
171.08023	3.4
171.20787	1.9
175.07564	5.6
183.08189	2.1
184.07347	5.6
191.06955	2.6
193.10124	5.1
197.09666	2.4
199.07484	2.2
205.10097	3.0
207.11665	2.4
209.09683	4.1
219.08138	2.1
221.09503	4.4
221.13283	2.2
223.11185	5.2
233.09550	3.2
235.11179	4.3
237.09106	3.3
237.12723	2.7
237.57646	2.3
243.11984	2.7
245.09628	2.3
247.11304	5.3
249.12764	2.7
251.06708	2.1
251.10722	3.4
253.12173	3.8
259.11160	3.7
260.11856	2.1
263.10788	5.1
264.11508	6.2
265.12323	5.8
273.12772	3.1
283.13419	3.0
291.13712	2.2
321.14954	2.0
329.15427	2.1
337.16159	2.6
341.13821	3.3
355.16959	2.9
367.15616	7.1
373.18024	3.1
375.19724	3.4
385.16586	4.8
395.16312	2.3
401.17477	12.6
402.18289	4.5
415.18970	4.5
419.18707	28.7
420.19202	5.0
421.20032	4.8
431.18542	8.3
433.20309	5.3
437.19644	8.8
449.19772	12.2
459.18277	2.9
467.20639	16.4
468.21112	2.4
477.18912	19.0
478.19162	3.0
483.09924	2.2
495.20047	18.8
513.21716	2.2
595.25323	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37873	1.9
53.03947	3.6
55.05514	44.9
68.28291	2.1
69.03444	1.9
69.95171	3.1
69.95570	4.6
73.08276	1.9
74.13815	1.6
75.45241	1.6
79.05524	2.2
81.07059	9.7
83.04983	46.0
88.24438	1.8
89.94028	1.8
91.05483	5.5
95.04977	4.3
95.08616	3.5
97.02908	4.1
99.04473	1.8
105.07011	3.9
107.08570	2.5
109.06550	8.3
111.04419	1.9
117.06981	1.8
119.08583	2.0
121.06464	2.2
123.08112	5.1
129.06927	2.3
131.04875	2.7
131.08549	2.1
133.06465	3.2
133.34880	2.0
135.08124	1.8
136.30238	1.8
137.05966	18.1
143.08578	1.9
145.06509	8.6
147.08023	2.9
149.02347	8.7
149.05977	2.8
153.05513	2.8
153.07062	2.1
155.08662	3.5
157.10181	2.1
159.08099	3.3
161.09789	2.2
163.07500	2.2
165.07040	3.6
167.07159	2.7
167.08543	3.2
169.10077	1.8
171.08044	9.0
173.09651	2.2
175.07635	2.4
181.10089	2.8
182.07332	1.9
183.08073	4.8
185.09595	3.9
193.04947	5.2
193.10152	3.4
195.08054	4.4
195.11736	2.8
197.09636	3.3
202.07791	2.1
203.08675	2.0
207.11775	2.6
208.08975	1.9
209.09700	4.2
211.07419	2.7
211.11105	2.2
218.10956	2.4
219.08215	2.8
221.09642	3.1
223.11090	2.2
231.11775	2.8
232.08788	2.6
233.09631	6.0
233.13152	2.7
234.10388	3.5
235.11197	6.7
236.11972	2.3
237.12715	3.6
244.22722	3.7
245.09651	4.2
245.13480	2.5
246.10425	3.0
247.11198	7.9
247.14943	2.3
248.11755	2.0
249.09106	2.2
249.12651	3.7
251.10725	2.9
259.11121	4.0
260.11865	3.3
261.12744	4.4
263.10632	3.2
263.14374	3.0
264.11429	2.1
265.12338	3.8
272.12021	2.0
273.12970	2.2
275.14301	6.1
277.12183	4.4
277.15417	1.9
279.13879	2.0
281.11700	4.6
285.12677	2.1
287.14478	3.1
289.12280	3.1
291.13870	2.1
293.11807	2.3
293.15247	3.0
299.12741	2.3
303.13696	2.1
305.15323	4.8
307.16891	2.7
369.16995	2.6
373.14069	2.3
373.18381	2.2
391.19058	3.3
397.16556	8.5
400.15417	2.4
401.17529	13.0
402.18033	4.1
403.18863	3.7
413.17429	2.9
415.18903	3.7
417.16843	2.0
419.18616	27.3
420.19022	6.2
421.20078	3.9
430.16711	3.2
431.18280	6.0
433.20175	4.5
437.19687	11.4
443.17377	3.6
449.19641	11.5
457.18933	3.2
459.18222	6.7
467.20773	11.3
477.19113	16.0
478.19333	2.1
479.20490	3.1
484.13391	3.4
495.20145	15.5
512.16650	3.3
513.21143	2.9
514.18262	2.5
523.16241	2.7
525.17603	4.2
573.23749	4.1
595.24860	3.6
600.21997	3.5
601.22699	8.4
690.24323	3.1
690.34717	6.8
691.26038	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01870	4.6
55.05512	13.0
56.85539	1.1
57.03442	11.5
57.07042	1.4
61.02934	2.8
67.05505	23.9
69.03442	2.0
69.07070	8.5
71.04986	5.0
73.02924	1.6
79.05492	30.7
79.35242	1.1
81.03416	40.0
81.07055	26.4
81.73892	1.2
83.04989	10.2
83.08614	16.4
85.02903	16.8
85.06551	1.6
86.83981	1.1
91.05481	26.7
91.06014	2.2
93.06465	2.2
93.07047	35.7
94.07383	1.3
95.04972	19.8
95.08606	36.8
97.02890	5.0
97.06536	4.9
97.10154	2.7
99.04454	4.5
101.49454	1.3
105.07040	17.6
106.63216	1.1
107.04952	12.6
107.08596	24.1
109.06514	4.3
109.10174	3.7
109.35860	1.1
111.04437	3.6
111.08087	7.8
113.06002	2.0
115.05466	1.5
117.07015	7.6
119.08589	20.1
121.06529	5.9
121.10136	14.3
123.08065	1.6
125.05984	2.3
127.07633	1.4
129.07014	6.0
131.08580	6.3
133.06502	2.3
133.10100	9.2
135.08035	2.5
135.11696	37.3
136.12018	1.1
139.07544	1.2
140.06181	1.1
142.07829	1.6
143.08607	1.3
145.06633	1.2
145.10118	24.6
146.10451	1.3
147.08031	1.7
147.11682	9.6
149.09618	3.2
153.12799	1.4
157.10135	8.0
163.11171	56.8
164.11554	2.5
165.12785	1.3
175.11220	8.2
181.12241	8.1
181.80087	1.4
193.12248	22.2
194.66615	1.1
204.47932	1.2
209.11694	2.6
211.13292	39.9
212.13579	2.2
227.12779	66.5
228.13145	2.4
230.17793	1.9
267.15906	28.7
268.16299	1.5
283.15399	58.9
284.15723	3.3
285.16965	55.5
286.17316	3.0
351.98749	1.2
450.48834	1.5
475.26868	32.1
476.27130	2.9
493.27960	100.0
494.28217	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
54.20195	0.9
55.01876	4.9
55.02090	0.8
55.05508	16.0
57.03439	11.3
59.04994	1.4
61.02921	3.5
62.41304	0.9
65.03947	0.9
67.05502	17.0
69.03429	2.7
69.07065	4.3
71.04990	4.3
73.02893	2.0
77.03934	1.2
79.05493	23.1
81.03417	46.4
81.07052	22.4
83.01343	5.4
83.04986	16.0
83.08619	20.4
85.02907	16.9
85.06569	2.3
87.53362	0.9
91.03958	1.0
91.05477	22.6
93.07042	21.5
93.07623	1.3
95.04965	17.1
95.08605	8.9
97.02879	5.9
97.06516	4.9
97.10178	4.1
99.04443	1.3
99.08121	1.3
105.07026	15.4
107.04347	1.1
107.04955	8.9
107.08582	10.1
109.06517	8.2
109.10167	2.3
111.04440	4.2
111.08078	6.8
113.06001	1.6
115.05502	1.6
117.07023	4.6
119.08563	14.8
121.06508	2.0
121.10133	8.2
123.08067	7.2
123.11726	1.5
125.05944	1.0
125.09652	1.7
129.06989	8.1
131.08580	7.5
133.06485	1.7
133.10112	7.0
135.08060	2.0
135.11700	7.0
137.09598	2.0
139.07640	1.1
142.07738	1.6
145.10107	9.9
147.08061	3.1
147.11678	9.4
149.09590	4.9
153.12665	1.1
157.10135	7.9
163.11197	15.9
165.12750	2.4
173.09621	1.9
175.11198	7.7
176.16667	0.8
181.12294	1.7
191.10637	2.1
193.12231	31.0
194.12558	1.6
209.11772	4.1
211.13293	47.5
212.13577	2.0
227.12762	4.6
256.21982	0.9
259.87598	0.9
267.15887	12.9
283.15387	55.5
284.15781	2.9
285.16943	39.5
286.17313	1.9
363.38449	1.0
383.22162	3.9
401.23224	1.7
457.25803	3.9
475.26865	16.1
493.27948	100.0
494.28152	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.5
62.32480	1.3
67.05491	6.6
69.03432	2.0
69.07037	1.6
71.28878	2.0
71.29245	1.5
79.05490	3.2
81.03423	2.7
81.07069	7.5
83.04983	1.9
83.08614	1.7
85.02922	2.5
85.06531	4.7
91.05457	3.6
92.87363	1.5
93.07048	7.5
95.04962	3.2
95.08604	23.4
101.06000	1.8
105.07036	3.4
107.08598	3.1
109.06554	1.6
109.10140	5.9
111.04416	2.8
112.38238	1.3
113.06021	2.1
119.08582	2.1
121.10099	2.7
121.17614	1.3
123.04457	1.7
123.08047	13.7
123.11713	2.4
125.09563	1.8
135.08049	1.9
135.11678	2.2
137.05978	5.5
139.03880	2.4
141.09076	7.9
145.10048	1.8
147.11655	1.9
151.07539	100.0
152.07899	3.4
153.05527	1.6
157.08722	1.5
159.11737	1.7
161.09537	2.2
163.11201	2.0
165.09039	7.4
167.07004	2.3
169.08606	2.3
172.03986	1.8
173.09550	2.1
175.07527	3.3
175.11168	2.1
177.09070	4.8
187.09639	8.4
187.11089	2.2
189.09097	3.6
191.10670	18.6
203.10756	2.6
204.06606	1.9
205.12277	6.6
217.08505	2.4
259.17001	1.6
303.19379	2.7
337.23724	4.4
391.21112	1.7
411.28781	3.6
429.29953	11.4
457.29517	6.8
475.30734	23.0
485.28677	2.5
493.27277	1.9
647.33215	3.1
690.19373	2.8
690.38898	1.8
690.49768	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.5
62.32480	1.3
67.05491	6.6
69.03432	2.0
69.07037	1.6
71.28878	2.0
71.29245	1.5
79.05490	3.2
81.03423	2.7
81.07069	7.5
83.04983	1.9
83.08614	1.7
85.02922	2.5
85.06531	4.7
91.05457	3.6
92.87363	1.5
93.07048	7.5
95.04962	3.2
95.08604	23.4
101.06000	1.8
105.07036	3.4
107.08598	3.1
109.06554	1.6
109.10140	5.9
111.04416	2.8
112.38238	1.3
113.06021	2.1
119.08582	2.1
121.10099	2.7
121.17614	1.3
123.04457	1.7
123.08047	13.7
123.11713	2.4
125.09563	1.8
135.08049	1.9
135.11678	2.2
137.05978	5.5
139.03880	2.4
141.09076	7.9
145.10048	1.8
147.11655	1.9
151.07539	100.0
152.07899	3.4
153.05527	1.6
157.08722	1.5
159.11737	1.7
161.09537	2.2
163.11201	2.0
165.09039	7.4
167.07004	2.3
169.08606	2.3
172.03986	1.8
173.09550	2.1
175.07527	3.3
175.11168	2.1
177.09070	4.8
187.09639	8.4
187.11089	2.2
189.09097	3.6
191.10670	18.6
203.10756	2.6
204.06606	1.9
205.12277	6.6
217.08505	2.4
259.17001	1.6
303.19379	2.7
337.23724	4.4
391.21112	1.7
411.28781	3.6
429.29953	11.4
457.29517	6.8
475.30734	23.0
485.28677	2.5
493.27277	1.9
647.33215	3.1
690.19373	2.8
690.38898	1.8
690.49768	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27792	1.1
53.03936	2.3
55.01870	1.9
55.05511	11.3
57.03191	1.7
57.03440	17.3
57.07079	24.3
60.08179	1.0
61.02922	2.2
63.09249	1.1
67.05505	36.3
69.03392	0.9
69.07066	12.6
71.01347	3.2
71.04973	2.4
71.08633	19.4
73.02937	1.2
79.05493	25.9
81.03415	3.7
81.07058	24.9
82.07378	1.0
83.04984	7.3
83.08629	11.4
85.02901	2.6
85.06536	3.0
85.10182	9.6
86.09684	1.9
89.06022	1.0
91.03947	1.8
91.05480	11.6
93.07044	29.8
94.07363	1.4
95.04971	3.7
95.08606	18.0
97.02866	2.2
97.06529	7.1
97.10158	10.8
98.22976	7.3
98.98458	1.1
99.04449	1.6
99.08071	1.4
105.07040	5.0
107.08595	21.4
109.10160	10.9
111.08075	2.4
111.11665	1.2
117.07035	2.4
119.08582	4.8
121.06528	1.1
121.10147	7.0
123.11730	3.4
124.99986	1.6
125.09655	1.8
131.08580	1.7
133.10132	2.6
135.11693	38.1
137.09700	1.4
141.86192	1.0
145.10135	7.8
147.11713	1.7
153.12766	1.9
163.11166	4.8
181.12239	8.1
184.07352	9.5
199.13225	1.5
239.23680	1.2
255.15918	100.0
256.16232	5.5
313.27365	52.2
314.27576	2.5
493.38889	70.6
494.39310	8.1
519.36340	1.3
575.50012	3.9
690.50421	1.1
691.46289	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01872	0.8
55.05507	2.8
57.03434	0.7
57.43758	0.3
62.14316	0.4
67.05495	3.0
69.03455	0.4
69.07076	1.0
71.01357	0.5
71.04991	0.8
74.62553	0.4
79.05494	2.6
81.03429	2.3
81.07050	3.9
83.04989	2.6
83.08620	1.4
83.21310	0.3
85.02909	0.9
86.63846	0.3
91.05488	2.9
92.05830	0.5
93.07040	2.9
95.04968	1.4
95.08595	1.8
97.02886	0.6
97.06554	1.0
97.10154	0.4
99.04471	0.3
102.60447	0.4
105.07025	2.0
107.04963	0.5
107.08595	1.7
109.06490	1.1
109.10162	1.3
111.04438	0.8
111.08074	0.7
117.07062	0.9
119.08573	1.9
121.10130	1.0
123.08080	0.6
129.07021	0.9
131.08566	0.8
133.10127	1.4
135.11658	1.1
137.05989	0.8
145.10164	1.2
147.11693	0.6
149.09708	0.5
155.08530	0.4
157.10120	0.6
163.11232	0.9
179.73024	0.4
184.07358	0.4
193.12206	1.0
211.11310	0.5
211.13271	0.9
220.40788	0.4
227.12805	0.6
267.15985	1.1
268.16318	0.5
269.17587	1.1
282.12497	0.4
283.15442	1.6
284.15878	0.8
285.17001	1.4
294.16287	0.4
301.16400	0.7
327.58572	0.4
381.16388	0.4
386.13867	0.5
399.14780	0.7
400.15387	1.4
401.16409	1.1
402.17459	0.8
413.16339	1.0
414.17371	0.7
415.13702	0.9
420.19150	0.6
421.19214	0.7
427.78604	0.4
428.14996	1.3
429.15198	2.3
430.16339	2.7
431.17188	1.9
437.25290	1.0
439.17896	0.6
441.14966	0.9
441.20331	0.6
442.16458	1.4
443.17239	3.9
444.18237	2.1
445.19217	0.6
449.27161	0.4
454.16684	0.6
455.17294	0.8
456.13956	1.0
457.19125	4.6
458.19800	2.3
459.21255	2.2
463.27106	0.8
467.17075	1.0
469.15033	0.6
470.11511	1.8
471.16415	0.7
473.18567	0.8
476.26971	0.8
477.21927	0.7
477.28604	1.2
478.20731	0.5
483.12131	0.8
483.16940	1.5
484.13147	4.7
485.14404	2.4
485.19943	0.8
486.19327	0.8
487.19989	0.5
493.27365	0.6
494.28549	1.6
495.16583	0.5
495.29486	3.0
497.14435	1.5
497.18347	2.1
498.14450	2.9
499.16006	3.7
500.16821	0.8
502.18289	0.9
511.15576	2.6
512.16711	4.5
513.17383	7.3
514.18280	4.3
515.18787	1.2
516.20032	0.7
523.16180	2.0
524.16315	0.6
525.17615	3.6
526.18109	1.4
527.19263	1.5
529.19849	1.2
530.19159	0.5
539.15735	0.8
544.19733	0.8
545.24567	2.0
555.21863	0.9
571.18585	0.5
572.21899	0.5
573.23712	2.5
574.23047	0.7
585.20190	0.7
589.21765	0.6
599.21143	1.3
600.22131	4.2
601.22870	10.1
602.23096	2.8
617.22284	1.1
618.23004	0.5
631.24048	0.6
632.24701	1.4
633.22760	0.8
659.23285	0.9
660.24591	0.9
661.21027	0.8
676.23639	1.6
691.25995	100.0
692.26318	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.05510	97.9
67.05502	9.2
69.03426	8.9
79.05498	11.9
80.83031	4.0
81.07058	47.8
81.74814	4.3
83.04981	100.0
91.05472	17.0
93.07033	11.1
95.04971	14.8
95.08604	17.3
97.02901	8.7
99.04456	5.2
105.07018	9.4
107.08582	8.3
109.06514	22.1
111.08135	6.1
117.07020	7.8
118.99380	3.7
119.08582	8.4
119.76946	3.8
121.06505	8.2
125.05917	3.9
126.55504	5.1
128.06221	6.6
129.07011	10.6
131.08563	11.2
132.44012	3.8
133.06476	8.2
135.08028	4.8
136.83534	4.1
137.05969	45.6
140.24249	3.6
142.07800	4.6
143.08601	7.0
145.06474	20.5
145.10124	5.3
147.08070	10.9
149.05949	5.7
153.05511	3.7
155.08575	12.5
157.10202	6.4
159.08022	12.6
165.06992	6.2
166.07683	4.1
167.08554	7.5
169.06494	6.2
170.07191	6.5
171.08029	18.1
173.05984	6.0
173.09604	7.5
175.07535	5.7
179.08540	6.7
181.10086	9.1
183.08063	20.3
184.08704	4.2
185.09610	19.2
187.07510	7.2
191.08499	4.6
192.09380	4.4
193.10106	10.6
195.07990	12.2
195.11652	8.7
197.09676	14.1
199.07539	14.2
199.11116	6.8
205.10086	6.9
206.10927	4.6
207.08081	9.3
209.09616	13.5
209.13304	5.1
211.07553	5.4
211.11234	10.4
213.09114	7.6
217.10158	7.0
219.08035	6.6
219.11670	6.6
220.08820	9.2
221.09543	13.1
222.10352	6.2
223.11192	10.0
225.09146	6.6
225.12773	6.9
227.10721	14.6
230.24849	4.8
232.08850	6.6
233.09590	11.1
235.11220	17.7
236.11797	6.1
237.09154	5.8
237.12775	6.4
239.10649	6.8
241.10320	4.5
245.09503	9.6
245.13206	5.0
246.10298	9.1
247.11258	10.4
249.09071	9.6
249.12762	13.0
250.13388	4.9
251.10774	8.2
259.11212	9.8
261.12579	5.0
263.10632	11.3
263.14301	8.9
265.12265	7.9
267.10107	5.1
273.12427	6.4
274.13199	6.4
275.10721	7.9
275.14175	16.0
277.12283	10.3
278.12985	5.6
279.13748	8.3
281.11731	5.5
283.13376	5.3
285.12585	6.8
287.14267	6.4
289.12308	5.0
291.13965	10.3
293.11813	6.1
293.15366	6.6
295.13248	4.6
299.12839	6.5
303.13785	14.7
305.15463	4.7
307.13406	13.1
307.16809	5.4
317.15207	5.9
321.11230	5.9
321.14783	4.8
323.16678	4.4
325.14417	5.3
333.14713	6.8
351.16025	6.3
353.13708	5.2
363.15860	8.8
389.17569	6.2
391.19043	6.8
401.17493	27.6
402.18143	7.3
403.18921	10.5
413.17487	6.7
415.18607	8.4
417.16919	5.8
419.18723	45.5
420.19016	12.1
421.20251	9.6
431.18680	10.2
433.19949	13.5
435.17896	7.8
437.19925	30.0
449.19504	22.0
451.20981	8.3
459.17590	6.4
467.20773	23.6
477.19012	22.0
478.19223	5.4
495.19962	30.0
513.21173	22.4
691.26038	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01882	0.6
55.05504	1.8
57.03444	1.9
59.04971	0.4
61.02929	7.0
65.03936	0.5
67.05505	8.3
69.03430	3.2
69.07068	1.3
69.26023	3.1
71.01346	0.4
71.04996	0.6
73.02923	4.9
73.71570	0.3
79.05497	3.9
81.03416	1.9
81.07056	5.9
82.75272	0.4
83.04988	0.5
83.08636	0.7
85.02914	7.0
85.06577	0.4
85.40575	0.4
86.09723	1.1
87.04459	0.6
91.03960	4.0
91.05481	2.1
91.70461	0.4
93.07050	4.0
95.05009	0.4
95.08624	4.3
97.02895	6.4
99.04474	1.0
101.02369	2.4
103.03947	0.5
105.07065	1.3
107.08594	2.4
109.02901	0.8
109.10156	5.8
111.08128	0.4
115.03951	0.7
117.07056	0.6
119.08585	1.5
121.10172	1.7
123.11697	0.7
127.03888	2.0
131.08585	0.8
133.10138	1.1
135.11699	0.9
137.03471	0.4
137.09601	0.4
145.04948	0.5
145.10144	0.6
147.11705	0.5
149.13333	0.6
155.10760	0.6
161.13298	0.4
173.11748	1.0
184.07336	3.6
187.69479	0.4
195.10033	0.9
199.82289	0.4
209.11722	0.5
229.14377	0.6
243.08536	2.4
299.14038	0.5
335.25797	0.8
401.80377	0.4
413.17911	4.7
420.37463	0.5
519.29272	9.0
519.35254	0.4
520.29456	1.0
691.40253	100.0
692.40564	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
55.01865	0.5
55.05511	1.3
57.03436	1.4
59.05007	0.4
61.02928	4.7
61.48002	0.3
63.87988	0.2
65.03941	0.4
67.05508	8.4
69.03428	2.2
69.07072	0.9
69.57816	0.9
69.58220	0.5
71.01355	0.5
71.05004	0.9
73.02914	3.2
74.98434	0.3
76.85780	0.3
79.05490	2.5
81.03429	1.6
81.07056	3.1
82.27857	0.3
83.04971	0.5
83.08637	0.8
85.02910	3.9
85.06533	0.4
86.09720	0.5
87.04476	0.3
90.45037	0.3
91.03953	2.9
91.05477	1.9
93.07029	2.4
95.08604	2.8
97.02890	4.0
98.23115	0.8
98.98481	0.3
99.04455	1.1
101.02367	1.6
105.07052	0.7
107.08615	1.0
109.02899	0.4
109.10156	6.8
114.87254	0.3
115.03985	0.5
119.08601	0.9
121.10136	0.9
123.11577	0.3
127.03925	1.0
131.08571	0.5
133.10141	0.6
135.11664	0.4
135.18195	0.3
137.09644	0.4
145.04895	0.4
145.10127	0.4
147.11642	0.3
149.09705	0.3
155.10689	0.5
173.11749	1.3
184.07376	1.3
185.07701	0.4
195.09941	0.5
229.14391	0.5
243.08414	1.8
291.19684	0.5
413.17807	9.8
414.18369	0.4
519.29364	4.7
519.36383	0.4
520.29559	0.9
691.40247	100.0
692.40594	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.1
55.01874	16.7
55.05508	41.6
57.03438	29.5
57.07073	3.2
59.05019	1.9
61.02934	9.1
65.03925	3.0
67.05505	85.7
68.05842	2.6
69.03429	6.9
69.07067	23.7
70.04224	2.1
71.01372	2.3
71.04992	6.7
71.29188	2.1
73.02915	8.1
78.21147	1.5
79.05496	57.0
80.05836	1.7
81.03423	22.3
81.07058	95.3
82.04204	5.4
83.04980	30.8
83.08622	31.0
84.05317	2.7
85.02901	11.8
85.06557	5.3
91.03950	4.9
91.05479	42.0
91.06010	3.5
93.07039	55.5
95.04971	21.0
95.08595	20.8
96.08949	1.9
97.02892	10.1
97.06533	18.0
97.10172	17.2
98.07314	7.9
99.08108	3.1
105.07021	20.3
107.04968	6.0
107.08594	33.1
109.06507	6.3
109.10149	16.6
111.04480	2.0
111.08096	11.2
116.04724	14.7
117.07019	10.6
119.08569	13.4
121.06536	5.8
121.10143	17.6
122.10913	2.7
123.08088	5.7
123.11714	3.8
125.09639	18.5
127.11231	2.0
129.05490	34.4
129.07033	5.3
131.08569	13.2
133.10136	23.7
134.10338	2.1
135.08044	5.4
135.11665	15.0
137.06033	3.9
137.09676	2.5
143.07027	10.6
143.10713	3.0
145.10130	5.6
147.08041	2.5
147.11699	5.6
149.09654	4.8
149.13258	22.2
153.09157	3.7
157.08621	15.5
157.10033	3.7
159.11671	9.2
163.11212	7.0
171.06573	3.9
171.10121	5.7
173.09596	2.7
173.11789	6.4
175.11200	2.7
177.12750	6.7
185.11699	2.2
189.11232	7.3
191.10703	2.6
193.12215	6.8
195.13826	22.8
199.13283	19.7
205.42393	2.1
209.11774	6.8
211.13298	6.7
213.14882	3.5
227.12804	10.3
229.14444	4.9
255.15933	3.6
265.14435	2.6
267.16010	9.6
269.17465	77.2
270.17841	6.5
283.15323	12.4
301.16437	84.6
302.16791	5.8
323.18579	2.6
339.05856	2.1
393.26346	4.1
404.71823	1.8
411.27402	9.7
419.18323	2.1
420.19318	2.3
421.19632	1.8
423.27383	29.5
424.27695	4.0
439.20154	2.2
459.27267	2.9
461.29034	5.8
477.28351	8.1
478.29022	4.1
479.19656	2.4
480.53293	2.1
495.29526	100.0
496.29858	11.3
497.21017	3.0
557.21674	2.1
676.82465	2.2
693.34229	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.4
55.01867	3.4
55.05267	1.4
55.05512	17.3
57.03437	14.6
59.04995	2.0
60.49732	0.9
61.02919	4.0
65.03931	1.0
67.05505	25.9
69.03421	5.4
69.07066	7.3
71.04993	5.5
73.02915	2.2
79.05492	30.6
81.03418	79.8
81.07056	31.9
82.03748	1.5
82.07402	1.1
83.04489	1.0
83.04983	20.0
83.08620	29.5
85.02907	35.5
85.06540	1.6
91.05483	41.9
92.05789	1.4
93.07050	19.3
94.07436	0.9
95.04360	2.0
95.04964	32.4
95.08609	9.5
96.05281	1.0
97.02898	4.1
97.06510	4.6
97.10149	4.1
98.23447	1.6
99.08125	2.2
105.07032	28.9
106.07435	1.1
107.04955	9.9
107.08599	8.0
109.06535	5.6
109.10156	3.2
111.04451	3.4
111.08071	10.8
113.06007	2.5
115.05478	1.8
117.07002	1.5
118.06826	0.8
119.04926	1.1
119.07773	1.5
119.08586	24.1
120.08890	1.2
121.06493	1.7
121.10133	10.4
123.08087	3.2
123.11718	1.6
125.09602	2.5
129.07004	12.7
131.08566	14.1
133.06494	3.7
133.10139	15.0
133.11082	1.7
135.11699	0.9
137.06001	1.5
137.09636	2.0
142.07771	3.3
145.10136	2.6
147.08026	5.1
147.11684	19.2
148.12085	0.9
149.09641	9.0
157.10132	17.9
158.10501	1.1
163.11183	1.5
165.12759	3.6
175.11176	17.8
176.11523	1.4
193.12241	60.0
194.12543	2.4
211.13292	100.0
212.13628	5.1
215.45604	0.8
227.12790	1.4
249.14810	1.0
267.15900	37.6
268.16193	2.7
285.16965	83.7
286.17313	7.0
295.66190	0.9
349.21625	1.2
367.22617	3.9
385.23746	4.3
387.24564	1.0
403.24701	1.0
459.27399	18.3
460.27487	2.0
466.67749	0.9
473.36172	0.9
477.28433	22.5
478.28702	2.7
490.70819	0.9
495.29489	61.9
496.29816	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
55.01865	4.0
55.05517	19.3
57.03440	17.7
59.04988	1.5
59.59288	1.0
61.02918	2.7
65.03925	1.7
67.05505	26.1
69.03441	8.8
69.07068	8.9
71.04981	6.0
73.02895	1.1
79.05121	0.7
79.05492	32.1
81.03417	100.0
81.07057	35.5
82.07401	1.4
83.04980	20.8
83.08620	33.3
85.02906	37.9
85.06525	2.2
86.09696	1.9
91.03938	1.4
91.05480	39.2
92.05811	1.2
93.07045	19.4
95.04966	37.1
95.08601	11.8
97.02910	5.7
97.06541	6.4
97.10152	6.1
99.04445	1.1
99.08111	2.3
105.07028	29.6
107.04955	10.7
107.08590	9.1
109.06513	6.2
109.10151	3.9
111.04456	4.5
111.08078	15.4
113.06007	3.6
115.05476	1.1
117.06992	2.9
119.08582	25.8
121.06497	3.9
121.10149	12.8
123.08060	4.1
123.11712	3.2
124.99944	1.8
125.09630	1.8
127.03881	1.6
128.06279	1.3
129.07002	15.3
131.08554	16.6
133.06516	4.2
133.10135	15.6
137.09596	2.3
142.07800	4.0
145.06651	1.1
145.10083	2.2
147.08087	4.0
147.11693	18.8
148.12018	1.8
149.09618	9.2
157.10129	17.6
165.12708	5.5
166.47963	1.2
175.11174	20.9
176.11438	1.1
184.07401	7.1
193.12234	66.0
194.12581	3.1
211.13292	95.8
212.13664	4.4
267.15912	40.8
268.16229	2.0
285.16959	82.3
286.17288	4.6
367.22763	2.5
385.23718	3.1
403.24799	1.3
441.26682	1.6
459.27390	29.4
460.27350	3.2
477.28467	34.1
478.28998	4.0
495.29514	97.8
496.29874	13.7
554.26910	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.7
55.01868	7.7
55.05514	39.4
57.03430	21.9
57.07073	2.8
59.04996	3.9
61.02939	7.8
65.03935	3.9
67.05505	100.0
68.05828	1.5
69.03429	4.5
69.06725	2.2
69.07068	22.4
71.01358	3.0
71.04992	7.0
71.30744	2.3
73.02911	4.1
79.05493	43.6
81.03415	14.3
81.07057	80.0
82.07408	2.2
83.04983	11.3
83.08626	21.2
85.02904	17.5
85.06535	4.9
87.04469	4.7
91.03973	2.4
91.05483	30.6
93.07047	49.8
95.04956	8.6
95.08607	26.4
97.02883	6.2
97.06541	8.5
97.10162	15.2
99.04449	2.0
99.08089	1.8
103.03897	1.9
105.07031	15.1
107.04952	4.6
107.08597	29.7
109.06553	1.8
109.10159	54.7
111.08086	6.0
117.07017	10.2
119.08588	10.4
121.06512	3.5
121.10153	11.6
123.08102	2.6
123.11693	4.7
125.06036	1.6
125.09642	14.2
127.03947	1.6
129.05466	6.8
129.06961	1.9
131.08562	8.2
133.10130	13.6
134.10532	1.5
135.08075	2.2
135.11694	11.6
137.09627	2.6
143.10655	3.6
145.06505	1.5
145.10143	3.9
147.11662	3.8
149.09593	1.8
149.13280	12.1
151.11124	1.3
153.12720	3.3
155.10646	7.3
157.10178	2.0
159.11694	7.9
163.11195	8.9
173.09619	1.7
173.11746	13.1
175.11122	1.6
177.12691	3.3
181.12231	2.3
185.11647	1.7
191.10660	4.1
193.12280	3.9
195.13763	14.8
198.17271	1.6
199.13277	6.5
209.11758	8.3
211.11371	1.5
211.13409	1.5
213.14825	2.0
227.12762	7.2
229.14360	47.9
230.14749	2.6
239.16525	3.5
257.13721	6.8
267.15918	8.4
269.17465	68.3
270.17819	5.9
283.15271	6.8
297.17169	1.6
301.16467	15.9
393.26511	2.2
411.27527	7.2
423.27454	34.7
424.27567	2.5
495.29507	59.0
496.29703	6.3
513.30481	21.6
514.30670	2.0
592.58856	1.5
643.56177	1.5
693.31970	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
53.46714	2.1
55.05515	6.4
57.07096	3.9
61.02957	2.3
67.05506	23.7
67.83774	2.5
68.06534	2.5
69.03433	4.8
69.07061	9.9
71.04987	5.3
73.02964	2.6
79.05482	11.2
81.03416	5.3
81.07053	26.3
83.04976	5.9
83.08629	3.6
85.02901	18.5
91.05476	19.2
91.37016	2.3
93.07052	31.3
95.04983	5.6
95.07986	2.7
95.08607	55.8
97.02901	5.1
97.06535	4.3
105.03377	3.1
105.07033	33.5
107.08591	34.3
109.06537	4.0
109.10154	46.7
111.08091	5.4
113.06062	3.2
117.07038	11.2
119.08588	33.2
120.08945	2.3
121.06527	2.6
121.10136	30.7
123.08079	3.2
123.11732	9.2
129.07092	2.9
130.41193	2.3
131.08582	15.1
132.65334	2.5
133.09200	2.0
133.10129	50.3
135.08083	5.9
135.11676	19.4
137.13237	2.8
137.93564	2.3
143.08580	8.5
145.05009	2.8
145.10136	26.8
147.11700	28.8
149.13274	10.0
155.08603	3.6
157.10124	12.1
159.08066	2.6
159.11685	31.5
160.12242	2.8
161.09654	3.1
161.13200	13.7
163.11319	3.6
163.14772	4.4
169.10150	5.8
171.11745	6.9
172.73390	2.6
173.13263	17.2
173.82753	2.4
175.11163	5.9
175.14838	19.8
177.12830	3.3
180.08647	3.0
181.10074	3.0
183.11723	5.2
185.13202	12.3
186.13832	2.4
187.11244	3.3
187.14810	18.9
189.12689	3.3
189.16455	6.0
191.14264	5.0
193.12250	2.9
193.15913	2.7
197.13295	4.7
199.14868	11.0
201.16347	13.7
203.14349	5.1
203.17960	8.9
211.14854	3.8
213.16417	11.4
215.14340	6.6
215.18004	7.3
217.15883	9.6
219.17540	5.7
221.15408	5.4
225.16457	3.1
227.18002	5.3
229.15698	3.2
231.13832	2.3
231.17535	8.4
233.15323	21.9
233.18968	4.3
235.17055	3.2
239.17982	2.7
245.18977	4.2
247.16866	6.2
249.18483	4.6
253.19505	3.4
257.18982	4.1
275.20007	2.5
295.24182	2.5
313.25293	33.2
314.25613	4.0
327.23267	4.0
335.27444	4.0
353.28354	12.7
354.28998	2.7
407.33032	10.6
417.31345	7.4
435.32584	100.0
436.32986	15.9
453.33646	37.9
454.34076	5.2
495.34921	3.9
692.40039	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.05517	0.7
57.03435	0.8
61.02921	0.2
63.87762	0.1
67.05503	3.4
69.03421	0.2
69.07068	0.5
69.16109	1.2
71.05009	0.8
71.05328	0.2
79.05497	1.3
81.03415	2.5
81.07056	1.5
83.04986	0.6
83.08609	0.9
85.02449	0.2
85.02886	1.1
86.09723	0.2
86.34070	0.2
91.05488	1.9
92.05820	0.2
93.07042	1.4
95.04967	1.0
95.08628	0.8
97.06533	0.2
97.10155	0.2
98.22603	0.2
99.34997	0.2
105.03384	0.9
105.07024	1.1
106.03728	0.6
107.04963	0.4
107.08577	0.9
109.06528	0.3
109.10146	1.8
111.08093	0.4
113.06030	0.2
117.07030	0.3
119.08582	1.0
121.10151	0.7
123.08071	0.2
129.07018	0.3
131.08601	0.6
133.10150	0.9
135.11725	0.6
137.09607	0.3
145.10118	0.2
147.08058	0.2
147.11705	0.7
155.10660	0.2
157.10158	0.6
163.11198	0.3
173.11833	0.2
175.11186	0.5
176.57338	0.1
184.07307	0.3
193.12225	1.4
201.08971	0.2
211.13234	1.6
212.13573	0.2
253.14366	0.2
255.16019	0.4
267.15952	1.5
268.16330	0.4
271.06006	0.2
283.09729	0.2
285.17023	1.4
286.08444	0.3
286.17392	0.3
287.18588	0.8
301.10715	2.1
305.00381	0.2
372.15726	0.6
379.11624	0.8
393.13098	0.4
394.13892	0.6
421.25647	1.0
439.26877	2.7
446.26062	0.4
447.27472	1.0
453.28442	0.5
460.27710	0.3
465.28375	1.4
473.15887	0.8
478.28772	0.4
485.15750	1.0
495.29483	0.3
496.29694	0.8
497.31119	1.8
501.15088	1.2
510.32874	0.2
513.18964	0.5
515.16724	2.9
516.17328	1.0
517.18042	0.3
531.19910	6.1
531.28320	0.3
532.20209	0.7
557.19897	0.5
571.44940	0.2
635.20789	0.2
647.20819	0.4
693.25079	100.0
694.25439	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01869	1.3
55.05512	2.9
57.03443	2.2
59.05014	0.4
61.02931	5.8
67.05500	4.6
69.03438	3.2
69.07063	1.4
71.01359	0.8
71.04995	1.7
73.02918	4.0
79.05488	3.7
81.03423	3.3
81.07055	3.8
83.01337	0.7
83.04964	1.9
83.08631	1.8
85.02898	6.1
85.06588	0.5
91.03947	3.0
91.05467	2.8
93.07036	5.0
95.04971	1.7
95.08598	1.9
97.02893	4.2
97.06538	0.7
97.10174	0.4
99.04484	1.1
101.02380	1.7
105.07027	1.9
107.04984	0.8
107.08569	2.8
109.02872	0.8
109.06528	1.2
109.10172	1.0
111.04422	0.5
115.03925	0.5
117.07031	1.3
119.08591	2.2
121.06483	0.4
121.10160	1.1
123.08089	1.4
125.09656	0.4
127.03923	1.6
131.08578	0.7
133.10164	0.5
135.08064	0.5
135.11652	2.2
137.09647	0.6
145.10114	2.7
163.11171	4.1
164.11578	0.3
165.26582	0.4
175.83904	0.3
181.12212	0.5
184.07268	0.6
191.10687	0.6
209.11746	0.6
211.13374	0.5
227.12846	0.6
236.10008	0.4
243.08493	1.9
249.10974	1.0
275.19907	0.4
283.15570	1.7
409.12524	0.5
437.25403	0.5
438.25900	1.0
464.27612	0.5
467.18893	15.1
468.19424	1.3
478.29343	0.8
495.29520	0.4
496.29947	2.3
693.30872	100.0
694.31183	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.2
55.01884	0.5
55.05518	1.6
55.31656	0.2
57.03440	1.6
61.02924	3.0
65.03928	0.4
67.05506	4.0
67.05855	0.5
69.03437	2.4
69.07068	1.1
69.26203	0.5
69.26611	1.8
71.01365	0.4
71.05004	0.6
73.02931	2.5
79.05495	4.6
79.05920	0.5
81.03418	3.7
81.07054	3.9
82.07406	0.4
83.04985	1.3
83.08636	1.2
85.02905	4.9
85.06525	0.3
91.03944	1.8
91.05476	5.6
91.05991	0.4
93.07036	4.4
94.07404	0.4
95.04973	1.8
95.08617	2.1
96.08958	0.3
97.02890	3.3
97.06538	0.6
97.10177	0.5
99.04463	0.6
101.02361	1.9
103.03985	0.4
105.07027	3.6
105.07676	0.4
107.04980	0.7
107.08570	1.2
109.02925	0.5
109.06549	0.6
109.10173	0.6
111.04441	0.2
117.07052	0.7
119.08583	2.3
121.06488	0.3
121.10149	0.7
123.08078	0.5
125.09607	0.3
127.03907	1.2
127.07561	0.4
129.07004	1.6
131.08609	0.7
133.10156	1.4
143.08582	0.7
145.10158	1.1
147.11681	2.2
149.09624	0.3
157.10109	0.6
159.11696	0.3
161.13243	0.4
164.22946	0.3
171.11732	1.4
175.11226	0.4
184.07413	0.3
189.12848	0.3
193.12344	0.7
207.13962	0.4
211.13295	0.5
242.06091	0.3
243.08389	2.2
247.13043	0.7
251.12666	0.5
269.17648	0.4
279.70630	0.3
281.17642	0.3
285.16968	0.3
303.15921	0.4
326.97144	0.4
461.37143	0.3
465.20993	9.6
466.21503	0.5
469.20465	4.7
478.28967	0.9
495.29831	0.3
496.29681	0.9
686.00433	0.3
693.34521	100.0
694.34882	15.2
694.47223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01865	0.4
55.05519	1.5
57.03442	2.2
61.02926	4.0
67.05504	3.4
69.03422	2.2
69.07075	0.5
69.54642	0.8
69.55048	1.1
71.01360	0.4
71.05006	0.8
71.57831	0.3
73.02934	2.3
79.05500	3.7
80.28974	0.3
81.03423	4.1
81.07056	3.6
83.04971	1.4
83.08630	1.4
85.02911	5.1
91.03966	2.2
91.05491	3.7
93.07043	2.9
95.04985	2.1
95.08630	1.7
97.02887	3.6
99.04465	0.4
101.02386	1.3
105.07038	2.5
107.04994	0.7
107.08607	1.2
109.02876	0.8
109.06541	0.6
111.08092	0.8
117.07025	0.5
119.08604	2.6
121.10159	0.9
127.03939	1.2
129.07051	1.2
131.08611	1.0
133.06512	0.4
133.10161	1.1
135.11766	0.5
145.10196	0.5
147.08101	0.5
147.11716	1.7
157.10188	0.8
171.11726	0.6
175.11234	0.8
184.07355	0.4
193.12323	1.6
203.05476	0.4
211.13298	0.4
241.06680	0.3
243.08435	2.0
247.13196	1.0
251.12717	0.7
263.49637	0.3
269.17517	0.7
300.10699	0.3
301.16299	0.4
302.16888	0.4
303.15585	0.4
465.20932	4.6
469.20459	8.6
470.21039	0.8
496.29904	0.6
693.34528	100.0
694.34790	13.1
695.15601	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.7
51.02376	1.7
53.03947	5.6
54.04277	0.1
55.01864	0.4
55.05500	0.3
67.05492	0.4
69.07054	0.3
69.48185	0.4
69.48593	0.2
69.85540	0.1
76.40858	0.1
77.03536	0.1
77.03944	1.4
79.05504	0.2
81.03423	0.8
81.07058	0.9
86.09738	0.1
91.05473	0.4
93.07061	0.5
95.04966	8.9
95.08597	1.0
96.05321	0.1
96.08937	0.1
96.99088	0.1
97.10150	0.2
98.22667	0.2
98.84501	0.1
105.03389	100.0
105.04523	4.2
105.06994	0.8
105.18864	0.1
106.03716	2.8
107.04946	0.1
107.08593	0.5
109.10123	0.4
117.14227	0.1
119.08582	0.7
121.10123	0.7
123.11732	0.4
133.10115	0.6
135.11688	0.2
145.10135	0.1
147.11690	0.9
149.13174	0.2
159.11697	0.2
161.13232	0.5
163.14752	0.2
167.07056	0.2
175.14603	0.1
184.07341	0.2
203.17941	2.3
204.18398	0.1
265.12088	0.1
271.09720	0.1
277.08493	0.1
278.09436	0.2
279.10056	0.2
292.10767	0.1
293.11588	0.2
294.12488	0.2
295.09665	0.2
303.10114	0.1
307.13199	0.1
309.11371	0.1
309.14975	0.1
310.11823	0.3
311.09235	0.2
317.11835	0.1
321.11124	0.4
323.12781	0.2
324.13654	0.1
325.14410	0.4
333.11057	0.1
335.12848	0.1
336.13696	0.1
337.10724	0.2
337.14453	0.2
338.11392	0.1
339.16022	0.2
340.13516	0.1
351.12323	0.2
352.13077	0.1
353.13855	0.7
361.14273	0.2
363.12036	0.1
365.13864	0.1
367.15421	0.3
368.16388	0.2
369.13339	0.2
381.13113	0.2
383.15085	0.2
391.15622	0.1
429.17139	0.1
450.20178	0.1
457.16748	0.2
458.16867	0.2
461.19513	0.2
465.22501	0.1
477.22482	0.2
489.19064	15.9
490.19269	1.8
491.20221	0.1
501.18805	0.2
503.20660	0.2
517.22137	0.7
519.27454	0.1
525.30182	0.1
531.23517	0.6
546.30084	0.1
555.31024	0.1
557.32544	1.2
558.32635	0.2
567.24048	0.1
569.25159	0.6
571.33966	0.3
572.35638	0.6
573.32458	0.1
582.25757	0.2
587.33380	0.3
588.34387	1.2
589.35101	0.1
609.28723	0.1
611.30164	0.2
624.30627	0.8
651.33221	0.2
662.35809	0.3
678.34985	0.5
693.37701	8.8
694.38074	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.01868	4.5
55.05512	32.2
57.03429	7.0
57.07081	10.6
57.57758	1.2
61.02927	1.7
67.05505	21.7
69.03436	2.9
69.07067	33.9
71.04998	1.7
71.08652	6.8
73.02931	2.8
74.18110	1.1
79.05490	18.0
81.03422	20.3
81.07059	23.8
83.04972	8.5
83.08623	30.0
85.02906	11.8
85.06544	2.0
85.10198	3.5
86.09708	3.1
91.05478	24.4
92.05849	1.4
93.07045	13.6
95.04982	12.7
95.08601	9.3
95.16135	1.3
97.02914	2.9
97.06549	3.4
97.10167	18.7
98.22533	2.3
98.98498	4.3
105.03391	9.8
105.04499	1.3
105.07035	14.4
107.04961	4.0
107.08604	5.1
109.06519	2.9
109.10149	5.8
111.08115	4.1
111.11722	3.7
115.05443	1.3
119.08581	11.4
121.10175	6.9
123.08041	1.2
125.00034	2.3
125.13268	2.0
129.06973	5.9
131.08582	5.1
133.06465	1.4
133.10133	8.0
135.11746	2.6
145.10120	2.5
147.08064	1.7
147.11720	5.3
149.09645	3.4
157.10150	6.0
175.11215	5.6
184.07355	10.9
193.12244	18.3
206.73949	1.3
211.13281	16.7
212.13815	2.1
237.22116	6.2
267.15988	5.0
285.17200	2.0
311.25623	6.7
323.13324	1.1
503.37152	10.5
504.37363	6.0
521.31342	4.0
521.38342	100.0
522.38531	15.0
557.28723	17.6
558.29425	1.5
605.86493	1.5
693.41760	44.8
694.42200	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
55.05506	1.9
57.03432	2.2
57.07074	0.7
59.04997	0.4
61.02929	5.4
62.30583	0.4
65.03938	0.4
67.05508	7.9
69.03435	2.8
69.07077	1.5
69.11275	3.2
71.01358	0.5
71.04990	0.7
71.08649	0.4
73.02916	4.3
79.05486	1.7
81.03426	1.6
81.07055	6.1
83.08631	1.5
85.02905	6.3
87.04481	0.5
91.03956	4.2
91.05493	1.8
93.07053	1.8
95.04968	0.5
95.08611	4.3
97.02901	5.1
97.06580	0.4
97.10192	0.6
98.22607	0.6
99.04468	1.1
101.02393	1.5
103.04011	0.4
105.03407	2.6
105.07041	1.1
107.08622	1.2
109.02885	0.8
109.10154	5.0
111.08096	0.4
115.03947	0.8
119.08594	0.9
121.10137	1.0
123.11738	1.1
123.23478	0.3
123.24664	0.4
127.03937	1.3
133.10159	0.7
135.11729	0.7
147.11745	0.8
149.13235	0.5
161.13306	0.6
162.02986	0.3
173.11818	1.0
184.07355	0.7
185.04279	0.7
195.09961	0.9
203.05281	0.4
228.86525	0.3
229.14421	0.7
241.53584	0.4
243.08420	1.8
337.27600	1.0
377.92334	0.4
413.17731	4.6
459.93454	0.4
521.30872	9.4
522.31165	0.9
595.46613	0.5
693.41803	100.0
694.42163	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01889	0.7
55.05514	1.5
56.58524	0.5
56.87258	0.5
57.03444	1.3
58.79841	0.6
58.81456	0.5
61.02926	4.8
65.03934	0.7
65.33463	0.5
67.05508	8.9
69.03423	2.5
69.07053	0.8
71.01366	0.6
71.05002	0.6
73.02908	4.1
79.05505	1.7
81.03413	1.0
81.07060	5.1
81.31120	0.6
83.08619	0.8
85.02912	4.3
87.04484	0.6
91.03970	2.9
91.05491	1.3
93.07044	1.4
95.08607	2.8
97.02902	3.9
98.22559	1.0
99.04461	1.0
101.02396	1.9
105.03378	2.9
105.07025	0.8
107.08649	1.2
109.02958	0.5
109.10156	8.8
119.08562	1.3
120.96646	0.6
121.10192	0.5
123.11779	0.5
127.03935	1.1
132.04028	0.5
141.04341	0.5
145.04979	0.7
147.11728	0.6
161.62405	0.5
173.11768	1.8
184.07372	1.3
195.10037	0.8
243.08542	1.9
337.27390	0.7
375.23334	0.6
413.17841	8.8
413.23291	0.5
414.18018	0.6
521.30780	4.8
540.45630	0.7
595.47137	1.5
693.41809	100.0
694.42181	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.6
53.03946	2.5
55.01866	1.5
55.05509	3.6
62.33789	0.6
65.03937	8.4
65.23671	0.6
67.05502	16.8
67.51537	0.6
68.99793	0.9
69.03427	20.0
69.18797	5.1
70.06599	3.6
71.01340	2.1
81.03439	0.8
83.01343	1.0
83.04979	34.5
84.38939	0.8
84.79185	0.6
85.02896	8.8
87.00835	2.1
91.05479	16.2
92.05825	1.1
93.03404	13.9
95.04968	40.3
96.05286	1.0
97.02876	1.4
98.23396	1.0
99.00812	48.8
101.02331	0.8
101.05987	1.8
103.14498	0.7
105.04523	1.4
107.04956	7.7
111.04437	52.6
112.04775	1.0
115.03867	0.7
117.01849	11.4
117.03281	0.7
119.04942	33.8
120.05209	1.2
121.02865	8.1
123.04379	0.8
127.03916	0.9
129.05479	26.9
135.04433	1.9
136.04698	1.0
139.03894	22.6
144.08089	4.4
145.02847	1.3
145.06570	1.1
147.04404	96.8
147.06476	6.1
148.04727	7.2
157.04967	20.1
163.03911	7.6
164.04225	3.0
165.05536	0.7
167.08516	1.0
175.06007	3.8
195.07985	1.2
209.02753	0.7
209.04362	3.9
211.04716	0.7
212.08284	1.2
213.09100	8.4
219.07991	0.7
223.07629	1.2
227.05508	8.3
237.09067	2.3
245.04346	0.8
245.06561	6.6
247.07597	0.7
255.04965	2.1
265.08640	3.1
273.06036	100.0
274.06390	4.8
283.09650	0.9
293.08081	2.2
303.08728	1.1
311.09186	3.4
321.09671	1.9
329.10245	0.7
429.10062	2.4
447.11340	22.5
448.11472	1.8
450.53040	0.8
467.13150	5.4
485.14536	7.2
486.14621	1.1
543.36963	0.8
676.22620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57582	0.2
51.64287	0.2
65.03937	1.3
67.05489	0.2
70.25928	0.7
80.01913	0.2
83.04980	0.5
91.05479	10.5
95.04977	0.6
99.00820	0.5
111.04440	0.8
119.04940	24.4
120.05289	0.6
120.23408	0.2
121.02821	0.2
121.81896	0.2
129.05493	0.4
135.78206	0.2
137.81929	0.2
139.03940	0.4
144.08098	0.2
147.04405	100.0
148.04744	3.8
157.04976	0.3
163.03868	0.3
165.05499	0.6
172.13148	0.2
273.06155	0.9
303.08588	1.4
321.09708	1.7
394.54480	0.2
424.03275	0.2
447.11295	0.5
467.13422	3.4
552.23193	0.2
562.34430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	1.6
65.60217	0.1
67.05505	0.2
69.03420	0.3
69.33986	0.1
69.34325	1.2
69.36475	0.1
83.04977	0.8
85.02935	0.2
85.69105	0.2
91.05480	10.6
92.05800	0.2
93.03388	0.3
95.04956	0.8
97.02937	0.2
99.00835	0.7
102.94349	0.1
111.04443	1.4
119.04940	22.7
120.05273	0.5
129.05481	0.6
129.93411	0.2
139.03911	0.6
144.08099	0.3
147.04404	100.0
148.04735	3.7
154.61072	0.2
157.04974	0.4
163.03917	0.2
165.05453	0.4
173.42583	0.1
221.27231	0.2
273.06091	0.7
273.08633	0.2
303.08600	1.4
321.09720	2.4
322.10068	0.2
339.10516	0.2
430.05298	0.2
447.11328	1.1
467.13318	4.7
468.13370	0.5
479.38535	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.7
53.00319	1.5
53.03936	2.3
55.01868	1.1
55.05513	5.4
55.31558	0.9
65.03946	10.4
65.09958	0.6
67.05135	1.1
67.05506	22.1
67.61643	0.6
68.05850	0.7
68.99786	1.2
69.03433	21.4
69.63638	3.1
71.01356	2.2
80.08630	0.5
83.04985	52.0
84.05327	1.0
85.02914	14.2
87.00842	2.3
87.04465	0.8
91.05485	9.6
93.03406	21.8
95.04972	44.7
97.02879	2.3
99.00817	46.9
101.02382	0.7
101.06019	2.0
105.04536	1.1
107.04947	5.7
111.04446	78.1
112.04777	1.9
115.03934	1.9
117.01863	7.9
119.04952	17.1
121.02873	13.2
127.04007	0.7
129.05482	36.3
130.05875	1.3
134.21870	0.6
139.03906	36.5
139.73140	0.8
140.04253	1.2
147.04416	36.1
147.06310	4.7
148.04750	1.6
157.04973	33.0
158.05348	0.9
175.06029	17.9
178.98955	0.6
179.42247	0.7
193.06885	0.7
209.04510	2.0
212.08253	0.9
213.09132	7.0
219.08028	1.0
227.05505	6.6
228.05957	0.7
234.52657	0.7
237.09195	2.5
239.96841	0.7
245.06607	4.0
247.07605	1.6
255.05052	2.8
265.08606	3.7
273.06052	57.3
274.06381	3.2
291.07193	1.0
293.08105	2.8
311.09204	1.9
321.09625	1.3
401.10931	3.4
429.10431	5.5
436.36285	0.7
447.11368	100.0
448.11658	8.5
467.13425	4.0
473.92957	0.8
485.14612	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.3
55.01864	0.5
55.05505	1.1
56.05040	0.4
57.03431	0.9
57.90129	0.2
58.06579	1.2
59.07389	1.0
59.26920	0.2
60.08163	6.2
65.03915	0.3
67.05499	3.2
69.03429	0.8
69.07066	1.2
71.01356	0.2
71.04991	0.8
71.07372	3.1
73.02925	0.3
79.05492	3.8
81.02972	0.4
81.03416	4.4
81.07048	2.9
83.04973	1.3
83.08619	1.6
85.02904	2.2
85.06544	0.3
86.09702	29.4
87.04475	0.3
87.10045	0.7
91.05486	3.7
93.07039	3.4
95.04963	2.0
95.08608	1.4
97.02903	0.6
97.06523	0.7
97.10194	0.3
98.22552	0.5
98.98466	3.1
104.10740	2.7
105.07039	2.1
107.04948	1.0
107.08582	1.7
109.06525	0.6
109.10161	0.7
111.04440	0.3
111.08086	0.7
117.07032	0.4
119.08569	2.2
121.06527	0.4
121.10129	3.7
123.08057	0.7
124.99998	18.9
129.07025	0.8
131.08562	2.0
133.06500	0.4
133.10143	1.7
135.08060	0.4
135.11678	0.3
139.11140	0.5
143.01056	0.2
143.08575	0.3
145.10156	0.3
147.11662	1.0
149.09627	1.4
157.10100	0.7
159.08104	0.2
161.09631	0.3
163.01581	0.3
164.20178	0.2
167.10684	1.0
175.11169	1.2
179.01439	0.2
184.07335	100.0
185.07681	2.2
185.11674	0.3
193.12228	3.5
194.12607	0.3
195.10130	0.5
211.13287	5.1
212.13701	0.3
213.11078	0.3
222.08908	0.5
224.10483	0.4
229.84764	0.2
236.71489	0.2
241.14273	0.3
243.15929	0.3
253.14377	0.3
267.15918	1.7
269.13687	0.5
271.15488	0.4
283.15210	0.3
285.16913	3.8
286.17288	0.6
287.14859	3.6
287.17950	0.5
301.16229	0.4
383.37387	0.2
421.25830	0.3
450.22217	0.2
461.26938	0.2
478.29315	0.2
479.26132	1.4
497.27341	5.1
498.27679	0.9
515.27618	0.3
592.31177	0.3
694.35663	5.8
695.33032	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.1
55.01875	1.3
55.05511	11.2
57.03436	4.7
57.07076	3.2
59.37655	0.8
59.89236	0.8
61.02926	27.1
61.54723	0.8
65.03949	1.8
67.05505	58.5
68.05854	1.0
69.03432	2.9
69.07065	11.5
69.10120	1.0
71.04996	2.6
71.08634	1.1
71.32581	1.4
73.02920	9.4
79.05492	37.0
81.03431	1.5
81.07058	68.0
82.07398	1.5
83.08621	8.2
85.02902	32.0
85.06544	2.5
91.03960	27.8
91.04516	0.7
91.05486	20.8
93.07043	49.0
94.45380	0.9
95.04981	2.9
95.08607	51.4
96.08934	1.3
97.02888	15.1
97.06531	3.5
97.10170	3.1
99.04491	1.6
99.08088	3.1
104.21204	0.9
105.03380	0.9
105.07036	14.8
107.08591	34.7
109.10156	33.0
109.10918	1.6
111.08089	2.9
111.11715	1.2
113.09677	1.9
115.03916	1.7
117.03428	1.0
117.07027	8.7
119.08576	16.7
121.10140	33.7
123.11707	18.3
123.12566	1.5
125.09625	1.3
127.03899	10.2
127.04629	0.9
129.07077	0.8
131.08563	20.1
133.10133	11.2
135.11685	27.0
137.06021	1.1
137.09637	1.8
137.13248	5.7
139.11169	1.4
145.04956	14.7
145.10117	15.2
147.11678	11.9
149.13248	21.7
151.03952	2.3
151.11183	1.7
151.14839	3.1
153.12729	1.1
159.11710	14.0
160.53659	0.8
161.13280	11.7
163.06024	23.5
163.11163	1.4
163.14810	17.0
165.12791	2.2
167.22321	0.8
173.13257	16.0
173.14615	1.2
174.13544	1.1
175.14865	4.4
177.05524	3.2
177.12723	1.3
177.16441	5.8
179.14372	3.0
185.13272	1.0
187.14815	9.3
191.14380	2.5
201.16412	3.0
205.15936	1.9
215.17981	1.7
225.21646	0.8
233.22656	3.5
243.21072	33.7
244.21492	3.1
245.22708	0.8
261.22137	100.0
262.22464	6.9
263.23779	1.2
268.07288	1.1
279.23239	3.1
283.09604	2.0
311.08984	1.6
317.24869	0.9
325.10703	1.1
335.25793	17.4
336.26181	2.0
353.10229	1.8
353.26846	46.9
354.27188	4.1
387.03973	1.0
434.99323	0.8
497.30820	1.2
695.24414	1.0
713.61243	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.01873	3.1
55.05512	16.6
57.03440	13.3
59.05008	3.1
61.02927	5.3
65.03947	3.7
65.09865	1.1
67.05505	100.0
68.05843	1.9
69.03449	6.1
69.07069	10.5
70.56741	1.7
70.57070	1.9
71.04992	32.3
73.02903	3.0
79.05493	33.7
81.03415	44.4
81.07055	39.2
82.07382	1.2
83.04977	15.4
83.08617	21.1
85.02898	20.1
85.06554	4.9
86.09735	1.6
91.03958	1.7
91.05480	45.4
93.07046	33.9
95.04971	21.7
95.08609	16.1
96.22382	1.1
97.02910	5.6
97.06543	7.6
97.10181	3.8
99.08109	2.2
99.45452	1.2
105.07026	19.3
107.04936	7.7
107.08598	13.3
109.06516	6.1
109.10152	69.3
110.10529	1.9
111.04420	1.7
111.08084	9.8
113.06043	3.5
117.07028	4.5
119.08573	27.3
121.06537	1.9
121.10143	10.0
123.08102	2.9
124.99999	1.9
125.09644	2.2
129.07004	9.7
131.08549	10.0
133.06540	2.4
133.10138	13.4
135.11699	16.5
137.09615	11.0
142.07813	2.0
145.10124	7.0
147.08133	2.7
147.11687	12.3
149.09654	3.1
155.08813	1.4
155.10707	5.4
157.10115	13.6
163.11212	4.9
165.12773	2.2
169.12225	2.1
173.11742	9.4
175.11160	11.5
181.12256	3.6
184.07303	6.7
191.09769	1.5
193.12230	31.2
211.13284	37.3
211.15134	2.5
212.13670	1.7
229.14427	3.4
237.14877	1.6
243.15880	2.4
255.15955	13.6
267.15897	18.8
285.16943	20.7
286.17444	2.1
287.18521	25.6
287.21564	1.5
288.18790	2.3
380.35220	1.2
403.25189	2.0
421.25812	33.5
422.26019	3.0
439.26910	84.7
440.27203	9.0
447.27396	43.2
448.28082	3.8
453.28464	12.6
454.29156	1.8
461.28952	3.4
465.28442	52.6
466.29010	6.8
479.30396	5.7
497.31064	47.5
498.31635	4.7
502.15378	1.8
532.20306	4.8
553.29156	1.4
694.25427	91.7
695.25842	9.0
695.34631	2.4
711.06592	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.7
55.01875	1.5
55.05509	7.6
57.03437	13.7
57.07067	1.1
61.02934	1.0
65.03937	1.8
67.05503	28.0
68.05833	0.9
69.03429	1.7
69.07069	6.7
69.48526	5.0
71.01357	3.3
71.04976	3.2
79.05488	23.6
81.03416	49.6
81.07056	14.1
83.04974	7.6
83.08624	12.3
85.02904	0.9
85.06536	2.0
91.05485	16.9
93.07038	29.9
95.04965	14.4
95.08607	5.1
97.02927	0.9
97.06528	8.5
97.10159	7.2
99.08086	1.5
105.07027	7.8
106.41437	0.8
107.04987	3.9
107.08593	20.2
108.08964	0.9
109.06525	2.0
109.10149	5.5
110.73801	0.8
111.04455	1.0
111.08089	5.3
115.05431	0.9
117.07023	3.0
119.08596	9.5
121.06488	2.0
121.10154	8.9
123.08064	0.9
125.09608	1.5
128.84828	0.9
129.06999	5.1
131.08557	3.7
131.79231	0.8
133.06491	1.6
133.10114	5.1
135.08089	1.3
135.10646	1.8
135.11688	34.0
136.12076	1.7
137.09587	1.5
142.07832	1.7
145.10109	6.6
147.07915	1.0
147.11665	5.2
149.09578	1.4
150.16238	0.8
150.57309	0.8
150.83675	0.7
153.12695	1.3
157.10132	5.4
163.11162	6.3
175.11163	6.2
181.12230	6.9
186.59515	0.8
186.73061	0.9
193.12250	13.8
194.12598	0.9
211.13173	1.3
249.14838	1.1
255.15904	70.0
256.16241	3.7
267.15894	42.5
268.16171	1.5
301.14334	1.2
373.23538	1.1
403.24811	2.0
421.25763	7.5
439.26892	1.1
447.27396	100.0
448.27853	9.5
465.28329	3.6
489.28723	1.4
643.80817	0.8
694.30884	1.5
695.32202	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1813
Annotation	Quercetin 3-(3'',4''-diacetylrhamnosyl)-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03943	0.6
55.05509	8.7
57.03420	0.5
61.02923	0.5
65.03954	0.5
68.99773	0.6
69.03426	5.6
70.19592	1.1
70.19927	0.4
71.04990	1.3
81.03412	0.4
83.04977	78.3
84.05310	1.1
85.02889	4.4
87.00826	0.9
89.02369	0.5
97.02882	0.6
98.22651	0.4
99.04441	0.6
101.06024	0.4
109.02829	0.5
111.00799	1.4
111.04436	94.7
112.04767	2.5
117.87398	0.4
121.02859	1.0
123.04394	0.4
127.03886	1.0
129.05473	7.4
137.02362	2.8
137.03331	0.6
149.02266	0.4
153.01843	3.7
153.05457	27.3
154.05853	0.7
165.01817	1.6
171.06511	12.9
173.05927	0.7
183.02905	0.8
191.03378	0.5
201.03812	0.4
201.05412	1.9
213.07582	0.8
219.06505	0.5
229.04955	4.2
231.08624	17.4
232.09000	0.7
246.42320	0.4
247.06036	0.5
257.04413	2.9
274.04681	1.0
275.05728	0.4
285.03937	1.6
303.04974	100.0
304.05328	5.9
312.37604	0.4
320.05362	0.4
345.06018	0.8
473.53845	0.5
502.72702	0.4
513.10266	0.4
526.25049	0.4
534.32581	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97838	0.2
56.96560	6.0
62.88472	0.2
71.95260	1.5
72.96030	0.2
83.09553	0.2
98.97580	100.0
99.97903	0.8
116.98617	40.9
117.98942	0.3
118.12982	0.2
128.30946	0.2
134.99655	9.2
140.00179	0.8
143.46593	0.2
147.04356	0.3
153.00714	0.3
158.01222	0.4
158.99644	54.0
160.00023	0.7
177.00705	49.4
178.01086	0.8
179.01071	0.3
183.66187	0.2
195.01752	2.5
200.02310	2.0
219.01756	18.0
220.02153	0.3
237.02779	1.6
241.03786	0.3
255.03691	0.4
265.03882	0.5
278.42404	0.2
283.05191	0.2
351.10526	0.3
367.06967	16.1
368.07245	0.8
385.08029	32.6
386.08325	2.1
408.09607	1.2
427.09088	13.6
428.09372	0.7
487.11124	1.6
515.12097	0.6
533.13196	1.3
547.13226	0.4
695.18585	3.7
696.18134	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2454
Annotation	Jaspamide M
Peak:m/z	Relative Intensity
69.16966	5.8
91.11780	0.6
91.23347	0.5
98.23370	1.5
135.02303	0.6
185.06976	0.7
220.18948	0.7
242.78314	0.6
390.83496	0.7
437.08316	0.7
695.24585	100.0
696.24811	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2671
Annotation	CHEBI:69683
Peak:m/z	Relative Intensity
51.66396	0.2
51.90512	0.2
69.30299	0.5
69.30715	1.4
81.07056	0.8
95.04987	0.4
98.22604	0.2
105.02678	0.2
105.06979	0.3
109.06517	0.3
129.07033	0.3
131.05000	0.3
137.06023	1.3
193.10271	0.3
194.95213	0.3
274.31036	0.3
293.84808	0.3
335.26233	0.2
381.13245	0.6
433.19846	0.3
457.20102	1.0
475.20947	2.8
476.21329	0.4
477.18909	0.4
491.20212	0.9
501.18652	0.5
517.21783	1.4
518.22394	0.3
519.19885	10.6
520.20300	0.9
535.22479	1.3
579.21869	3.8
580.22241	0.5
635.24829	1.0
695.26691	100.0
696.26984	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	0.7
72.01869	0.6
81.07061	1.1
84.91642	0.6
86.09751	0.6
93.41096	0.5
105.80798	0.6
137.06047	1.3
161.05798	0.9
184.07388	0.7
209.09854	0.6
228.75739	0.5
353.13284	0.7
431.18661	1.4
443.18643	1.0
445.16235	1.0
461.19315	3.5
473.19543	1.6
477.18918	0.9
491.20587	2.8
493.22314	1.1
503.20190	0.6
505.18457	3.5
521.21484	3.4
535.19458	2.1
551.22894	1.0
595.21552	1.4
621.26477	2.9
635.24701	0.7
651.27954	1.0
695.26605	100.0
696.26837	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89804	0.2
53.03951	0.7
55.01861	0.7
55.05520	1.8
57.03438	2.5
59.82700	0.3
61.02926	4.6
67.05505	5.3
67.05842	0.5
68.05853	0.4
69.03435	2.8
69.07002	2.5
69.07409	0.6
71.01353	0.6
71.04993	1.4
73.02914	3.4
79.05489	3.4
81.03420	5.1
81.07059	3.5
82.03750	0.4
82.07421	0.5
83.01349	0.4
83.04983	2.1
83.08619	1.8
85.02901	5.7
85.06522	0.3
86.09724	0.3
87.04455	0.3
91.03955	2.9
91.05476	4.0
92.05847	0.3
93.07037	3.0
95.04964	2.2
95.08586	1.6
97.02884	4.0
97.03502	0.3
97.06528	0.4
97.10136	0.4
98.22629	0.6
99.04462	0.9
99.08071	0.3
101.02392	2.0
105.07040	2.4
107.04974	1.2
107.08594	1.9
109.02899	0.8
109.06541	0.8
109.10148	1.9
110.10462	0.4
111.04454	0.5
111.08083	0.7
115.03918	0.4
115.57809	0.3
117.07033	0.8
119.08579	2.5
120.08951	0.3
121.06586	0.5
121.10117	1.7
123.08115	1.0
124.99999	0.5
125.05989	0.3
125.09663	0.2
127.03926	1.3
129.07057	0.8
131.08572	1.2
133.10152	1.1
135.11710	1.2
137.09604	0.4
145.05016	0.3
145.10109	1.7
146.10527	0.4
147.08060	0.3
147.11728	1.0
149.09647	0.6
157.10153	1.0
163.11194	2.5
175.11220	0.7
181.12207	0.5
184.07379	1.2
185.04245	0.5
185.07672	0.4
193.12312	1.3
194.12636	0.3
203.05283	0.6
209.11777	0.6
211.13387	1.0
212.13663	0.4
224.45233	0.2
243.08362	2.7
249.10898	0.4
251.12680	0.8
255.15939	0.4
267.16016	1.1
268.16354	0.6
269.17575	0.9
270.17780	0.5
283.15598	0.6
285.16962	0.4
286.17276	0.3
287.18753	0.4
422.26410	0.9
439.26868	0.9
440.27225	1.5
448.27963	0.8
454.28656	0.4
461.29123	0.5
462.29190	1.4
465.28680	0.5
466.28860	1.0
467.18909	7.5
468.19159	0.5
469.14471	0.2
469.20462	5.3
470.21033	0.3
497.31061	0.5
498.31567	1.1
695.32404	100.0
696.32800	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.01870	0.5
55.05511	1.3
57.03439	1.7
59.78279	0.3
61.02930	3.3
66.70013	0.4
67.05504	4.2
68.05845	0.4
69.03429	2.2
69.07072	0.7
70.54404	0.4
70.54739	0.5
71.01366	0.5
71.04987	0.9
73.02921	2.4
79.05508	3.2
80.05823	0.3
81.03421	4.8
81.03860	0.5
81.07060	2.9
83.04991	1.6
83.05401	0.3
83.08594	1.5
85.02912	5.3
87.04494	0.5
91.03947	2.0
91.05490	3.8
93.07042	3.6
95.04958	2.1
95.08604	2.8
97.02898	3.6
97.06552	0.5
99.04479	0.6
101.02384	1.3
105.07041	2.2
107.04981	1.0
107.08606	2.4
109.02896	0.6
109.06506	0.4
109.10179	1.3
111.04435	0.5
111.08088	1.0
117.07031	0.9
119.08563	2.2
120.08986	0.4
121.06567	0.6
121.10143	2.2
123.08071	0.5
125.06015	0.4
127.03957	1.1
129.07039	0.9
131.08609	1.0
133.10139	1.2
135.11671	3.0
137.09621	0.4
145.10117	2.1
147.11705	1.1
157.10109	0.9
163.11186	4.4
181.12299	0.7
184.07411	0.7
193.12279	1.6
194.12679	0.5
211.13333	1.0
219.09932	0.7
227.12784	3.6
243.08444	1.9
249.10971	6.9
251.12741	0.6
255.33472	0.3
267.15988	0.4
285.16943	0.5
287.18524	0.3
305.13486	1.6
306.14420	0.4
439.26776	0.4
440.27475	0.6
464.52295	0.3
466.28940	0.5
467.18872	9.2
468.19534	0.7
469.20459	7.3
469.26620	0.6
470.21140	0.7
497.30725	0.5
498.31253	0.6
508.21490	0.3
533.27197	0.5
695.32434	100.0
696.32788	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30512	0.4
50.72694	0.4
54.46342	0.4
57.02710	0.4
65.87907	0.4
69.03440	0.6
69.10230	3.9
86.09737	0.6
95.08649	0.4
98.23377	0.8
105.07059	0.4
110.03455	1.3
115.53809	0.4
121.06416	0.4
123.04337	0.5
124.99978	0.6
133.10161	0.5
149.05821	1.0
161.25487	0.4
163.07378	0.9
165.08926	0.5
166.09775	0.7
171.55978	0.5
184.07480	1.6
191.10501	0.5
193.08543	1.1
194.09271	1.1
207.10078	1.0
210.12361	0.7
219.13681	0.8
222.08751	0.6
231.09961	3.1
232.10419	0.4
235.09526	2.6
235.13239	1.5
237.14589	0.5
251.16200	0.4
263.12549	4.0
298.30914	0.5
301.17712	0.7
305.17728	0.8
305.21082	2.8
316.20132	1.1
319.21976	0.7
321.20392	2.2
335.22253	0.7
345.20670	1.2
347.22238	1.5
349.19833	3.8
363.21689	1.2
365.17346	0.9
398.83804	0.4
401.23096	1.2
452.29166	0.7
453.29608	0.5
459.25299	0.6
469.29129	0.6
470.29956	10.4
471.30908	4.7
486.29529	8.4
487.30157	6.1
488.30737	0.8
496.28244	1.3
497.28601	4.5
514.29022	10.3
514.36023	0.7
515.29736	11.0
515.36859	0.7
516.30658	1.3
517.25952	0.5
532.30298	0.6
533.30414	2.8
633.36011	4.1
634.36768	1.2
649.35559	7.3
650.36072	0.8
659.34149	1.7
677.35059	47.0
678.35400	6.5
695.36481	100.0
696.36969	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3612
Annotation	Khekadaengoside F
Peak:m/z	Relative Intensity
61.09333	0.5
65.14758	0.6
67.05489	1.1
69.03491	1.8
69.03908	4.5
81.07050	1.0
83.04980	0.8
85.02935	1.0
85.45660	0.6
86.09712	1.4
87.25018	0.6
91.05507	1.2
93.07072	1.0
95.08581	0.7
98.22608	0.9
105.07044	0.9
110.03457	1.1
119.08593	1.1
121.10179	0.7
125.00036	0.9
131.08568	1.0
135.11771	0.9
149.09573	1.0
151.03938	2.3
165.08916	1.0
179.10564	0.8
184.07353	5.8
191.10564	0.7
193.08464	0.9
193.10263	0.7
194.09146	1.0
207.09958	0.7
209.11574	0.7
218.78975	0.8
219.13628	0.8
221.63780	0.6
226.00720	0.6
231.10054	2.6
235.09448	1.8
235.13148	2.5
237.14682	0.7
247.12791	0.6
249.14885	0.7
263.12527	3.6
277.14105	0.9
305.20898	2.7
316.20428	0.9
319.22440	1.5
321.20453	2.5
345.20416	0.9
347.21838	1.2
349.19839	4.4
363.21371	1.6
371.11203	0.7
373.19852	0.9
385.23734	0.8
401.23193	0.9
453.29700	0.7
468.28677	1.3
469.29074	1.1
470.30075	11.9
471.31107	4.5
486.29550	11.2
487.30243	7.5
488.30368	0.8
496.28159	1.8
497.28598	3.7
498.28928	0.7
514.28918	12.6
515.29700	11.4
516.30188	1.0
528.94019	0.8
532.30420	1.1
533.30511	3.6
633.35913	7.6
634.36426	1.7
649.35388	8.4
649.44916	0.9
650.35748	1.3
659.33740	1.6
677.23236	1.1
677.35120	46.5
678.35736	6.1
695.36218	100.0
696.36591	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.6
51.02380	1.6
53.03946	5.6
55.05515	1.1
57.07077	0.4
66.35751	0.2
67.05500	2.7
67.17687	0.2
69.07053	1.1
69.25621	1.8
77.03915	1.2
79.05488	1.8
81.03418	0.8
81.07050	2.9
83.08631	0.7
91.05487	1.8
92.53574	0.2
93.07037	1.9
95.04970	7.3
95.08607	5.3
96.05309	0.2
97.10178	0.5
98.98459	1.0
101.74452	0.3
105.03391	100.0
105.04534	3.7
105.07024	6.4
106.03708	2.4
106.04256	0.3
106.07376	0.3
107.08598	1.8
107.44427	0.3
109.10163	1.8
109.43117	0.2
117.06995	0.2
119.08576	3.5
121.10143	2.9
123.04408	0.6
123.11715	0.4
124.05247	0.5
131.08571	0.8
133.10129	4.1
135.11696	0.9
139.07544	0.2
145.10094	0.9
147.11678	5.9
152.04649	0.3
155.06995	1.4
159.08070	0.4
159.11668	0.7
160.12456	0.3
161.13246	4.3
167.07040	10.0
175.14832	0.7
188.15598	0.3
189.16487	0.3
191.10687	0.6
201.09070	0.3
203.17953	31.1
204.18312	2.0
211.07498	0.3
219.08072	0.3
219.10158	1.0
228.07947	0.3
233.11711	0.4
239.07124	0.2
242.05576	0.3
243.10321	0.2
249.34578	0.2
253.08678	0.3
253.12270	0.4
256.07288	0.3
257.08133	0.9
261.21936	0.3
262.25351	0.5
263.10712	0.4
265.08557	0.5
268.14502	0.4
271.09650	5.7
280.10910	0.6
281.11716	0.5
295.13217	1.1
296.13971	0.8
297.11154	0.4
312.13501	0.3
327.15939	4.7
328.16388	0.3
337.14127	0.3
337.27295	0.3
355.15344	1.0
369.17004	0.3
421.12762	1.4
459.17981	0.6
463.21225	1.1
491.20624	7.5
492.20776	0.7
493.22049	1.6
597.48444	1.8
720.85199	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.3
53.05722	3.1
55.01874	5.9
55.05511	23.7
57.03430	5.3
57.07059	7.6
59.04995	4.8
65.03937	7.6
67.05507	50.2
68.05846	3.1
69.03426	41.4
69.07061	26.4
71.05000	7.6
79.05487	46.5
81.07054	76.8
83.04985	35.9
83.08633	7.9
91.05479	69.2
93.07043	84.4
94.07381	3.0
95.04427	3.0
95.04948	20.1
95.08608	77.4
97.06519	15.6
98.23112	25.2
103.05487	5.1
105.03373	4.3
105.04556	4.9
105.07034	100.0
107.04958	4.1
107.07864	5.5
107.08588	93.6
109.06529	31.1
109.10156	34.7
111.04426	18.9
111.08073	18.3
115.05477	8.5
115.16911	3.0
117.07050	23.1
119.08579	96.6
121.06487	20.3
121.10138	37.4
123.08075	19.1
123.11686	19.0
125.09642	15.2
128.06219	15.1
129.07004	26.1
130.07813	7.7
131.08568	52.8
133.06480	8.7
133.10126	77.5
133.11067	6.2
135.08105	16.4
135.11693	35.7
137.06046	3.6
137.09621	10.4
139.07552	9.8
141.06973	15.5
142.07796	16.7
143.08563	47.6
144.09308	8.0
145.06465	4.9
145.10143	71.3
146.10815	4.1
147.08023	15.0
147.11691	43.5
149.09648	14.5
149.13272	10.0
151.11147	26.7
153.06989	7.5
154.07851	5.8
155.08551	29.7
156.09341	11.6
157.06549	4.3
157.10120	45.9
158.10707	3.4
159.08058	15.2
159.11684	52.5
161.09668	19.1
161.13277	15.8
163.11256	6.9
163.14827	5.0
165.07019	13.7
166.07784	5.8
167.08517	15.8
168.09309	9.1
169.10126	31.2
170.10849	7.7
171.08060	13.6
171.11661	33.2
172.08821	4.7
173.09645	23.2
173.13239	17.0
174.10236	4.0
175.11169	18.9
175.14864	6.0
178.07724	4.4
179.08549	19.6
180.09293	7.1
181.10086	19.8
182.10846	5.8
183.08087	10.2
183.11711	25.5
184.07285	4.0
185.09636	19.5
185.13249	16.7
187.11157	20.8
187.14810	14.7
189.12718	14.8
191.08618	3.9
191.14270	7.5
192.09366	8.5
193.10168	22.3
193.11745	3.6
194.10898	11.1
195.08037	9.5
195.11699	25.8
196.12398	5.5
197.09630	24.5
197.13274	22.4
198.10223	4.3
199.11211	24.1
199.14812	17.0
201.12732	10.2
201.16386	29.3
202.07695	4.6
203.08585	6.4
203.17966	8.9
204.09378	6.2
205.10106	10.3
205.15727	4.7
206.10912	10.8
207.08130	7.0
207.11688	24.4
208.08592	4.5
208.12479	7.4
208.61012	3.8
209.09622	20.3
209.13249	22.0
210.13634	4.2
211.11188	15.6
211.14812	15.0
213.09235	3.4
213.12776	10.8
213.16473	6.2
215.08495	3.3
215.14333	5.3
215.17973	3.9
216.09274	6.6
217.10121	13.7
217.15944	3.9
218.10881	7.7
219.11717	20.3
219.17517	5.6
220.12440	6.1
221.09698	8.5
221.13197	26.3
222.13838	3.6
223.11201	30.7
223.14697	15.4
224.11737	5.0
225.12799	18.8
225.16287	5.2
227.10741	6.0
227.14294	12.0
229.10126	9.3
229.16055	4.0
230.10796	4.9
231.11743	16.2
231.17522	4.0
232.12448	8.8
233.09721	4.4
233.13289	25.1
233.15419	5.6
234.13805	6.1
235.11145	12.3
235.14821	16.6
236.11749	6.0
237.12759	12.7
237.16307	6.5
239.10641	5.5
239.14328	13.9
239.17940	3.6
241.09975	4.7
241.12169	4.5
241.15916	7.9
242.10757	4.9
243.11739	14.8
244.12521	6.7
245.13310	15.6
245.15442	4.0
246.14012	6.6
247.11217	11.9
247.14758	17.3
248.11874	8.0
248.15054	4.9
249.12833	14.9
249.16322	7.0
250.06142	4.2
251.14270	12.4
251.17998	5.1
253.12312	5.9
253.16026	5.1
255.11575	6.2
256.12488	3.5
257.13211	16.1
257.15561	4.2
258.13867	5.0
259.11258	4.5
259.14703	18.5
259.17023	4.3
260.11990	6.7
260.15439	5.1
261.12766	12.6
261.16364	11.1
262.13742	3.5
263.14258	10.1
263.18121	6.0
264.14996	3.4
265.08496	15.7
265.15826	7.9
267.11697	5.7
267.17416	4.1
268.12527	4.6
269.13028	6.5
270.13959	7.4
271.11276	3.8
271.14639	15.1
272.15564	4.2
273.12885	6.6
273.16324	14.0
273.94037	3.3
274.16919	3.8
275.14301	12.7
275.17776	7.1
277.12100	4.3
277.15781	5.3
279.17477	6.1
281.13226	7.4
282.14136	5.0
283.14709	17.1
284.15466	7.0
285.13126	5.1
285.16379	16.7
286.17014	7.4
287.14398	5.5
287.17886	16.4
288.18762	4.7
289.15811	8.8
289.19458	8.5
291.17398	6.6
294.13925	4.1
295.14633	4.2
296.15372	7.9
297.16324	8.2
298.13623	4.0
299.14624	5.5
299.17966	15.9
301.15802	4.8
301.19315	5.7
302.16464	4.1
303.17349	9.3
303.20935	6.1
305.18921	6.1
307.14679	3.9
309.16055	5.1
310.17105	6.7
311.14551	3.8
311.17911	10.4
313.15738	6.3
313.19360	10.0
314.20108	3.7
315.17459	6.3
315.21100	6.2
317.18939	4.6
321.16187	4.2
323.17661	5.0
324.18729	4.2
325.10757	8.9
325.15845	4.1
325.19479	4.9
327.17407	7.9
329.18903	6.8
337.19479	6.2
339.17435	5.1
341.18851	4.8
363.21039	4.8
381.22198	4.6
395.25937	3.9
397.21414	3.9
399.23291	8.0
411.23065	4.2
413.24808	8.4
417.24161	17.4
419.25827	8.7
427.26511	5.2
441.23755	5.5
453.23645	6.9
457.23730	4.9
459.25122	12.7
471.25171	15.2
475.24817	3.9
517.30695	4.0
521.29974	4.7
545.34155	4.1
557.33905	3.6
573.13354	17.3
574.13544	3.7
613.40247	3.9
623.38672	4.4
631.41071	12.8
635.40643	4.3
641.39783	16.3
642.40247	5.2
649.42462	38.6
650.42566	6.4
659.40918	36.4
660.41187	9.9
677.42126	52.5
678.42291	15.7
691.67432	3.7
695.43054	30.7
696.42358	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
55.05513	48.2
56.05858	0.9
58.26831	0.9
61.02138	1.0
67.05511	6.4
69.07068	3.4
71.04987	1.2
71.30257	1.7
79.05488	4.3
81.07063	7.5
82.88501	1.0
83.04983	63.9
83.68409	1.0
91.05489	6.9
93.07039	8.2
95.04990	2.3
95.08606	7.9
97.06509	1.1
105.03382	2.0
105.07021	9.3
107.08597	5.9
109.06508	2.0
109.10160	2.8
111.04436	1.4
111.08093	1.1
117.06999	2.0
119.08591	8.2
120.76292	1.3
121.06487	2.0
121.10143	2.8
123.08064	1.5
128.06224	1.6
129.06966	1.3
131.08556	4.6
133.10117	5.0
135.08076	1.7
135.11679	1.6
137.05971	1.3
141.07007	1.3
143.08553	3.5
145.10124	6.4
145.58810	1.0
147.11687	4.7
149.09703	1.6
155.08557	1.9
157.10120	4.7
159.08144	1.3
159.11708	3.8
161.09651	1.3
161.13281	1.3
165.07004	2.9
167.08551	2.3
168.09329	1.3
169.10155	3.2
171.08044	1.3
171.11772	3.2
173.09549	1.4
173.13257	1.6
179.08601	2.0
181.10097	2.0
183.11687	1.8
185.13225	1.5
189.01810	3.9
189.16351	1.2
192.09346	1.1
195.08087	3.8
195.11673	2.5
197.09622	1.6
197.13312	1.4
199.11049	1.4
199.14796	1.6
201.16428	3.5
205.06604	1.6
205.08614	2.2
206.10912	1.0
207.08072	3.2
209.13292	1.9
211.07516	1.5
211.11206	1.8
211.14621	1.0
213.05437	1.8
213.16621	1.2
215.03438	1.5
217.01363	3.0
219.11745	1.6
220.12460	1.1
221.13313	2.2
223.07564	3.7
223.11229	1.5
225.09180	1.1
226.06288	1.4
227.07031	6.3
227.14294	1.6
229.10165	1.5
233.05856	1.8
233.13333	1.7
235.07568	6.1
235.14719	1.5
237.05469	2.2
237.09113	1.7
238.06313	1.2
239.07057	4.1
240.84225	1.3
241.08571	1.5
243.06548	4.1
249.05495	3.1
250.06396	1.5
251.06950	6.1
252.04034	1.3
252.07614	1.5
253.04956	4.6
253.08603	5.4
254.09389	1.2
257.13272	1.2
261.05469	1.3
263.07019	4.8
264.07785	1.1
265.05035	2.2
265.08499	8.8
265.10883	2.6
266.05881	5.5
267.06546	9.0
269.08002	1.3
270.04956	1.1
271.06012	1.7
277.04993	2.3
279.06595	5.2
280.07220	1.4
281.04648	3.1
281.08057	23.9
282.08646	3.6
283.09509	1.2
289.04919	1.4
291.06415	6.9
292.07144	1.6
293.08017	8.6
295.06088	8.5
296.06668	2.6
299.02008	1.2
299.09073	2.2
309.04080	1.5
309.07544	32.3
310.08243	4.2
311.09082	2.8
313.07202	1.7
313.10699	3.9
315.04898	3.7
319.06067	11.0
320.06854	1.6
321.07455	1.7
323.05661	1.6
323.09158	4.0
325.03653	1.8
325.10822	8.1
327.08630	3.8
337.07062	29.9
338.07501	3.4
341.10098	6.5
351.08670	12.9
353.10123	3.8
355.08182	3.5
365.06577	4.3
369.09689	100.0
370.09985	7.7
371.07565	6.8
379.08188	9.1
383.11334	2.6
397.09155	24.1
398.09241	1.9
401.12082	1.9
411.10782	4.6
415.09973	1.8
429.11853	25.6
430.12302	1.4
439.97357	1.2
561.34943	1.1
615.03534	1.1
633.42932	1.2
660.40814	1.6
677.42194	1.6
678.41821	3.7
679.42316	1.5
695.43207	1.5
696.42572	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.9
61.02919	0.7
69.01836	2.7
69.02259	4.2
69.03430	0.8
83.04974	1.1
85.02938	1.3
90.05046	0.8
98.22610	1.0
98.63251	0.8
101.92245	0.7
113.48534	0.7
136.06201	1.1
137.05984	2.2
147.30879	0.7
187.07646	0.7
210.06500	0.8
225.09143	1.0
227.07112	1.5
227.10699	0.8
228.07780	1.8
237.09149	1.0
238.06120	0.9
238.09979	1.3
239.10716	1.9
240.07777	1.0
241.08696	1.8
243.10257	0.9
249.09087	1.2
250.09737	0.7
251.06978	1.3
252.07901	1.5
253.08475	2.4
253.12143	0.8
254.09352	2.3
255.06622	1.5
255.10048	1.8
256.07324	1.8
257.08209	1.9
263.10782	0.8
265.08618	2.7
266.09329	1.6
267.06470	1.8
267.10135	3.8
268.07388	1.6
268.10812	1.1
269.08200	3.5
269.11719	1.7
270.08755	3.3
271.06729	1.2
271.09680	4.9
277.08804	1.6
278.09402	2.6
279.10309	1.8
280.10886	3.2
281.08084	2.7
281.11676	2.3
282.09146	1.6
282.12469	2.2
283.06635	0.9
283.09674	4.7
283.13049	1.5
284.10214	3.7
285.07767	1.6
285.11185	1.8
286.08316	3.6
287.05817	0.9
287.09052	2.7
288.58478	1.0
293.08466	1.2
293.11575	4.0
294.08972	1.2
295.09683	7.7
296.07007	1.4
296.10382	3.1
297.07590	2.2
297.11282	4.2
298.08371	2.0
298.11911	2.6
299.09146	7.0
299.12720	3.4
300.09753	2.9
301.07703	1.0
301.10745	5.1
302.11533	1.0
305.08182	0.9
305.11472	1.2
306.08813	1.1
307.09741	1.7
307.13138	1.1
308.14151	0.9
309.07938	0.8
309.11215	3.1
310.11975	5.7
311.09137	4.7
311.12759	8.5
312.09894	2.7
312.13562	6.2
313.10696	4.1
313.13910	1.3
314.11465	11.5
315.08908	0.9
315.12222	3.8
317.10120	1.0
320.10461	1.0
321.11218	7.8
322.11884	2.2
323.08984	1.5
323.12689	1.1
325.10632	2.2
325.14240	1.6
326.11481	3.0
327.08664	2.4
327.12317	9.4
328.09592	1.2
328.13004	4.8
329.10162	4.6
329.13821	6.9
330.10510	0.9
331.11661	2.9
335.13010	1.4
336.13550	2.9
337.10693	2.2
337.14355	1.4
338.11414	2.0
339.12143	1.4
340.16693	0.9
341.13806	7.7
342.10959	2.1
342.14584	14.5
343.11658	5.1
343.15402	9.3
344.12500	7.1
344.16037	1.0
345.09415	1.1
345.13306	1.8
352.12982	2.8
353.13821	15.6
354.14407	2.9
357.13318	22.4
358.13919	9.5
359.14761	1.9
367.15427	5.9
368.16132	8.4
369.13153	1.7
371.18784	0.9
373.16437	22.8
374.16824	1.7
375.14264	5.7
384.15674	1.8
385.16504	9.6
386.16824	1.0
399.18005	14.9
400.18314	1.5
402.16931	1.1
417.19067	100.0
418.19455	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	25.6
58.45543	1.1
61.02914	1.5
61.15781	0.9
69.02737	9.1
69.03423	3.7
75.04482	1.4
81.03385	2.4
81.07034	1.5
83.04982	47.1
85.02891	5.9
91.05491	1.9
93.07063	0.9
97.02886	3.2
101.05996	1.6
102.84538	1.1
109.02877	1.5
121.10192	1.2
127.03906	2.2
137.05965	2.9
167.07021	1.7
175.07578	1.8
183.08092	1.2
192.35414	1.0
199.07420	1.0
211.07562	2.5
223.07623	1.2
227.07031	3.1
227.09126	1.8
228.07881	2.3
235.07614	1.6
236.08235	1.4
237.09039	2.0
239.07007	2.8
240.07759	1.9
241.08528	2.4
243.06645	1.2
243.10135	1.3
245.10132	1.9
249.09084	3.9
251.06987	1.6
252.07742	2.0
253.08553	3.2
254.09377	2.7
255.06598	2.6
255.10054	2.7
256.07321	4.3
256.10944	1.3
257.07983	1.5
261.09021	1.6
262.09888	2.3
263.07065	1.3
263.10355	1.0
264.07828	1.4
265.08618	4.3
265.12042	1.0
266.09369	2.5
267.06674	1.4
267.10156	5.9
268.07288	2.5
268.10825	4.3
269.08078	4.3
269.11734	1.9
270.08801	3.7
271.06427	1.5
271.09653	11.8
272.07007	1.1
277.08612	3.4
278.09259	6.8
279.07019	1.1
279.10126	4.4
280.07483	1.7
280.10922	6.6
281.08081	5.0
281.11639	3.2
282.08789	2.6
282.12427	3.3
283.09647	5.3
283.12869	1.6
284.07071	1.3
284.10294	6.1
285.11090	3.7
286.08386	3.3
287.09137	3.8
290.09540	1.2
291.10211	1.5
292.10849	3.1
293.11652	13.8
293.18930	1.5
294.08765	2.9
294.12292	2.4
295.09573	9.5
295.12842	1.6
296.10300	4.7
297.07819	1.9
297.11218	5.6
298.08371	3.7
298.11951	3.3
299.09116	23.9
299.12674	5.2
300.09763	3.4
301.10690	8.5
302.11469	3.9
305.11697	2.4
306.08740	2.0
306.12012	1.5
307.09845	2.1
307.13229	4.0
308.13977	6.5
309.11240	6.1
310.11908	11.3
311.09079	5.7
311.12723	11.2
312.09851	4.9
312.13458	7.5
313.10693	10.4
313.14136	1.7
314.11447	24.3
315.08542	3.7
315.12103	6.9
320.10428	1.2
321.11145	14.8
322.11896	3.4
323.09100	2.1
323.12524	1.7
324.13452	3.2
325.10684	2.6
325.14395	3.8
326.11395	4.3
327.08716	2.0
327.12247	13.4
328.09375	2.4
328.13034	24.8
329.10120	4.4
329.13730	12.8
330.10840	6.3
331.11740	5.2
335.12753	3.4
336.13461	11.3
337.10632	6.7
337.14301	2.3
338.11349	1.8
339.12183	3.2
339.15930	2.3
341.13736	11.0
342.11023	1.7
342.14581	20.5
343.11630	4.9
343.15366	10.3
344.12469	10.3
345.09616	1.4
345.13287	7.2
352.13113	3.0
353.13837	17.9
353.20923	2.7
354.14624	9.7
357.13300	24.8
358.14056	8.6
359.14801	7.1
367.15366	30.3
368.16116	17.2
369.13177	2.4
370.14078	1.9
373.11676	1.7
373.16434	33.7
374.16873	2.6
375.14233	4.6
384.15729	3.0
385.16425	79.9
386.17056	11.5
387.17682	1.9
399.17993	39.7
400.18323	3.9
402.16739	4.8
417.19043	100.0
418.19446	10.6
499.23267	37.6
500.23898	4.8
561.22870	3.1
696.32166	7.9
697.34595	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
57.03428	0.4
67.05503	1.4
69.03434	1.3
69.07043	0.5
71.04994	0.5
73.02915	0.8
74.39966	0.4
77.64972	0.5
78.62935	0.4
78.90593	0.4
78.92059	0.4
79.05495	0.6
81.03421	1.2
81.07043	1.1
82.21576	0.4
83.04959	1.0
83.08647	0.4
85.02905	3.1
91.03977	0.4
91.05500	1.4
93.07033	0.6
95.05015	0.4
95.08610	0.6
97.02898	1.2
105.07045	1.1
109.10110	0.7
119.08543	0.5
125.96716	0.4
127.03955	0.5
132.08871	0.4
133.10149	0.6
145.06412	0.8
181.06538	0.5
183.07977	0.4
184.07370	1.0
195.07994	0.4
197.06017	0.5
199.07657	0.4
207.08260	0.6
208.08832	0.5
210.06804	0.4
211.07541	1.5
211.13254	0.4
212.08330	0.5
213.09225	0.4
215.06976	0.4
216.73036	0.4
223.07561	1.2
224.08392	1.0
225.05864	0.4
225.08942	0.7
226.06326	1.2
226.09828	0.7
227.07088	1.4
235.07574	0.8
236.08305	0.7
237.09059	1.5
238.09785	0.8
239.07042	1.1
239.10657	1.3
240.07898	1.3
240.11479	0.6
241.08527	2.5
242.09421	1.7
243.06435	0.8
247.07463	0.8
249.09048	0.8
250.09914	1.3
251.06961	2.0
251.10722	1.0
252.07863	1.0
253.08614	1.5
254.09416	2.1
254.12971	0.5
255.06567	1.1
255.10138	2.7
256.07425	1.1
256.10867	0.8
257.08078	1.4
258.08942	0.9
262.09879	1.0
265.08609	1.6
265.12402	0.6
266.09525	0.5
267.07175	0.8
267.10129	5.7
268.07361	1.1
268.10962	1.8
269.08072	2.3
269.11670	1.1
270.08926	1.6
271.06216	0.6
271.09625	1.7
272.06818	0.5
272.10373	0.5
277.08704	0.9
278.09439	1.7
279.06863	0.5
279.09979	1.9
280.07620	0.9
280.10995	1.9
281.08173	1.9
281.11761	3.0
282.05728	0.4
282.08972	1.3
282.12540	6.3
283.06549	0.9
283.09711	3.7
283.13229	2.0
284.06985	0.8
284.10428	3.0
285.07660	2.0
285.11313	1.2
286.08496	2.6
287.09103	1.5
292.10880	0.8
293.11691	1.6
294.08911	1.0
294.12366	0.6
295.09665	5.7
296.10370	2.0
297.07678	1.9
297.11243	4.6
298.08432	1.3
298.11996	3.3
299.09113	3.3
299.12717	1.4
300.09961	1.9
300.13290	0.6
301.07370	0.5
301.10645	6.7
302.07791	0.9
302.11255	0.8
307.09787	0.7
307.13214	0.7
308.14017	0.9
309.11340	2.7
310.08554	0.4
310.11972	7.9
311.09106	3.7
311.12790	4.8
312.09900	1.7
312.13602	4.6
313.07376	0.6
313.10638	3.5
313.14374	5.6
314.08060	0.9
314.11487	3.5
315.08688	0.9
315.12094	3.7
316.09344	0.6
317.10284	2.3
321.11240	3.2
322.12000	1.2
323.12994	0.7
325.14493	0.7
326.11533	2.5
327.12250	7.3
327.15787	0.7
328.09409	1.3
328.13058	5.0
329.10178	4.2
329.13596	0.8
330.10999	1.2
331.11734	2.5
333.13147	0.8
335.12772	0.6
336.13577	1.2
337.10550	0.6
338.11319	0.7
339.16235	0.8
341.13873	15.5
342.14581	10.8
343.11737	10.0
343.15463	6.0
344.12479	8.4
345.09564	1.2
345.13330	2.0
353.13907	4.3
354.14499	0.6
355.15533	0.9
358.14078	10.7
359.14874	2.5
360.11902	2.0
367.15411	1.5
368.16241	3.0
370.14163	0.6
371.15094	0.5
373.16464	17.7
374.16907	1.4
375.14355	6.7
376.14737	0.5
384.15567	0.8
385.16458	6.6
386.17297	3.0
387.18002	0.7
391.57663	0.5
399.17917	3.1
400.18472	0.6
402.16733	0.8
417.19073	100.0
418.19412	9.4
469.20349	0.7
470.20377	0.5
601.95978	0.5
696.32678	6.8
697.33649	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.01865	1.6
55.05516	13.3
57.03430	5.7
57.07076	11.2
61.02926	24.0
65.03943	2.8
65.31283	1.2
67.05505	60.2
69.03423	3.2
69.07067	17.8
69.60135	2.2
69.60539	4.5
71.04999	2.3
71.08633	4.7
73.02917	8.8
75.04491	1.3
78.94010	1.1
79.05494	18.4
79.06555	1.3
81.07057	74.4
82.07414	2.1
83.04987	1.8
83.08619	16.3
85.02905	29.1
85.06562	2.9
85.10181	3.6
86.63617	1.1
91.03965	25.3
91.05482	14.3
92.05797	1.2
93.07053	21.2
94.44429	1.1
95.04994	1.4
95.08607	67.3
97.02901	14.5
97.06536	5.2
97.10153	10.9
99.04447	1.7
99.08094	2.7
99.62664	1.2
103.03889	1.3
105.07036	9.8
107.08589	15.8
109.10155	34.5
111.08067	3.6
111.11708	4.3
113.09646	2.7
119.08568	11.9
121.10146	20.3
123.11706	17.7
125.13450	1.2
127.03924	10.3
127.11193	1.8
133.10121	14.0
135.11687	10.3
137.09642	2.4
137.13275	8.2
141.12729	3.5
145.04973	16.1
147.11697	10.6
149.13258	11.0
151.14838	4.3
155.14304	2.5
161.13248	12.1
163.06030	21.3
163.14792	9.3
165.12767	1.8
165.16373	9.4
175.14790	10.3
177.16336	1.5
179.14389	1.5
179.17995	8.2
189.16377	4.0
203.17966	1.5
217.19495	2.0
237.30313	1.2
245.22652	67.9
246.22961	5.3
259.01245	1.2
262.25284	4.2
263.23700	100.0
264.24042	7.2
265.25256	2.7
281.24734	3.3
312.17181	1.1
337.27341	40.2
338.27722	5.1
355.28339	9.3
356.28992	2.0
499.32611	1.7
542.39679	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.05510	24.6
55.74159	1.6
57.03430	6.2
57.07076	11.4
61.02926	30.4
65.03933	1.9
67.05506	76.4
67.19922	1.5
68.05830	1.6
69.03416	5.1
69.07069	30.8
69.13289	2.9
69.13692	10.6
71.04991	3.9
71.08613	6.4
71.16122	1.5
73.02917	11.7
78.36520	1.5
79.05488	29.3
81.03416	2.9
81.07056	93.1
82.07366	1.7
83.04971	2.5
83.08607	19.2
85.02898	30.9
85.06516	2.8
85.10184	3.4
91.03956	22.7
91.05465	17.6
91.28907	1.8
93.07043	24.2
95.08606	81.3
96.04412	1.6
97.02882	14.2
97.06518	5.6
97.10165	13.8
99.04482	2.1
99.08076	2.6
105.07030	15.6
105.20661	1.5
107.08572	19.7
109.02877	2.0
109.10155	36.0
111.08089	5.7
111.11666	3.8
113.09648	3.2
115.03883	2.5
119.08591	11.3
121.10139	28.7
123.08128	2.0
123.11701	21.8
125.13290	2.1
127.03899	7.2
128.71024	1.7
133.10115	19.1
135.11694	11.1
137.13234	10.7
141.12767	3.4
145.04974	10.6
145.10158	2.3
147.11671	14.0
149.13234	10.1
151.14833	3.9
155.14325	4.0
161.13260	17.1
163.05995	17.3
163.14830	12.3
165.12711	2.3
165.16420	11.2
175.14827	11.8
177.16371	2.7
179.17990	5.6
189.16368	5.8
203.17950	2.0
207.17400	2.4
245.22632	59.0
246.22951	4.7
262.25342	3.2
263.23691	100.0
264.24106	8.1
265.25348	2.0
281.24609	2.0
337.27338	67.1
338.27594	7.1
339.39914	1.8
355.28372	11.4
499.32666	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.3
57.03433	1.0
57.07080	1.7
67.05504	9.9
67.33215	1.1
69.07064	4.3
69.68532	5.2
70.59849	1.1
79.05486	8.1
81.07060	10.4
83.04995	1.7
83.08617	1.4
91.05485	6.0
91.93906	1.0
93.07039	7.2
94.06574	1.3
95.04971	1.8
95.08622	6.8
105.03416	1.1
105.07035	5.0
107.08589	4.4
109.10149	5.3
119.08556	3.2
120.77107	1.1
121.10140	4.7
123.11745	1.3
129.06953	1.7
131.08554	2.8
133.10158	2.8
135.11681	2.4
145.10097	1.4
147.11693	1.4
157.10159	1.1
159.08076	1.5
159.11621	1.2
166.29601	1.3
173.13316	1.2
175.15005	1.2
213.36234	1.3
225.09154	1.1
229.04965	1.1
229.08740	1.2
235.11000	1.3
240.07912	1.2
241.08556	1.6
243.06583	1.5
253.08739	1.8
255.06560	1.6
255.10403	1.7
257.07965	2.9
261.21924	2.2
262.25314	8.2
263.10733	2.3
265.12088	1.4
267.06598	2.5
267.10043	1.5
269.08023	2.7
270.08899	2.0
272.25867	1.2
278.12891	1.6
279.10202	3.2
280.10806	1.8
281.08090	2.9
282.08841	3.7
283.06186	1.1
283.09619	1.7
285.07587	2.7
285.11160	2.3
286.08188	2.2
287.09024	2.0
291.10187	1.8
292.11008	2.4
293.11597	2.2
294.12393	2.2
295.09805	2.4
295.13269	7.4
296.10349	3.5
297.07596	2.1
298.08423	2.3
299.09033	5.5
301.10730	4.5
302.07858	2.6
303.08618	3.6
306.12595	2.6
307.09576	2.9
307.13257	3.4
308.10471	1.8
309.11111	3.1
309.14841	5.2
310.11990	1.7
311.09375	1.3
312.09918	3.5
313.10733	7.3
314.11349	4.7
315.12158	1.3
317.10226	6.8
318.11023	10.9
321.11014	1.8
322.11737	2.8
323.12750	12.6
324.13461	2.7
325.10977	1.3
326.15091	2.6
327.12341	5.6
327.15753	1.8
328.12988	3.1
329.10437	2.0
330.10916	2.6
331.11633	2.7
332.12604	9.3
333.13391	2.3
335.25833	1.6
337.14319	20.3
338.14957	10.6
339.12186	3.7
339.15961	3.9
340.12827	1.6
341.17432	5.1
345.13358	4.7
354.14575	3.6
355.11578	1.4
355.15454	12.3
359.14890	5.5
365.13745	1.3
369.16992	23.2
370.17697	20.7
371.14569	2.8
386.17212	4.8
401.19568	100.0
402.19931	8.0
529.39020	6.3
582.91418	1.2
661.40961	50.5
662.41431	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
53.74500	0.2
55.01859	0.3
55.05511	5.4
56.05047	3.0
57.03418	0.4
57.07074	2.7
57.82588	0.2
58.02956	0.2
58.06586	0.5
60.04522	2.4
61.02906	0.4
64.37459	0.2
65.03925	0.8
67.04231	0.4
67.05502	9.8
68.05020	0.8
69.03433	1.8
69.05502	1.3
69.05922	0.8
69.07067	6.4
70.06589	1.8
71.08621	1.0
73.02881	0.3
74.32368	0.2
79.05488	8.3
80.05011	3.2
81.03419	1.2
81.05785	1.6
81.07050	8.4
81.75512	0.2
82.06573	5.1
83.08616	4.1
83.58234	0.2
84.08143	0.3
85.02893	2.9
85.10193	0.5
91.05476	7.1
93.05785	0.7
93.07037	7.1
94.06561	15.6
94.09484	0.2
95.04965	1.0
95.07351	6.6
95.08603	6.6
96.04443	0.3
96.08133	4.7
97.02876	1.2
97.06550	0.4
97.10164	2.0
98.06004	0.3
99.04439	0.3
100.07615	0.3
105.04532	0.3
105.07026	5.0
106.06555	0.3
107.07375	0.3
107.08590	3.9
108.08115	2.8
109.02836	0.4
109.10146	2.4
110.09702	0.3
111.11712	0.5
117.07005	0.5
119.08576	4.4
120.08129	0.4
121.08873	0.3
121.09247	0.3
121.10136	4.2
122.09644	2.0
123.11691	0.8
124.11217	0.3
127.03889	0.8
133.10110	2.9
134.09616	0.5
135.10556	0.5
135.11688	2.2
136.11205	0.7
137.13199	0.4
143.37010	0.2
145.04939	0.5
147.11653	1.2
149.13242	0.9
151.14851	0.5
161.13229	0.7
163.14815	0.3
165.16350	0.2
175.14760	0.3
182.19073	0.2
182.33032	0.3
193.19513	0.3
205.19336	0.3
219.21072	0.6
233.22612	4.0
234.22336	0.3
237.22072	0.4
245.22643	5.3
246.23021	0.5
247.24231	0.5
250.25276	6.0
254.24753	1.6
260.23782	0.4
262.25281	100.0
263.25681	7.0
264.26819	1.0
272.25824	5.9
273.26248	0.5
280.23441	0.5
280.26343	5.7
281.26584	0.3
282.24203	0.2
310.27307	0.4
312.25192	0.7
324.46417	0.2
442.31671	0.9
486.46625	0.3
504.47748	3.4
505.47565	0.4
516.47729	26.1
517.48145	4.8
518.49249	8.9
519.49866	1.1
534.48773	7.0
535.49261	1.2
696.53876	3.0
697.54590	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.0
55.05507	1.5
57.03435	5.2
59.04998	0.7
61.02927	1.1
69.03084	0.6
69.03430	7.9
69.39320	2.0
69.39752	1.7
70.06592	0.5
71.01360	1.1
71.04996	17.2
73.02918	3.6
75.04472	1.3
78.69402	0.5
79.05488	0.6
81.03410	1.6
81.07073	0.6
83.04986	5.8
85.02908	29.7
87.04472	1.1
95.04995	1.0
97.02888	6.4
98.23323	1.0
99.04447	2.1
100.11264	1.5
103.03946	3.4
109.02911	1.1
109.91541	0.5
111.04447	5.0
115.03928	6.2
121.02883	4.4
121.03651	0.7
127.03918	4.1
129.05490	10.1
129.06961	1.1
131.08598	0.7
133.04970	2.2
137.02304	1.0
137.05972	5.6
139.03896	1.3
145.04971	1.9
146.07309	0.6
147.06529	3.3
151.03882	0.5
151.07520	0.7
153.01831	3.1
153.05476	0.6
157.04988	0.7
157.06551	0.9
161.06044	0.7
163.06029	0.6
165.01855	1.6
171.06595	0.7
174.06749	3.4
183.02843	0.6
189.07571	1.2
189.09105	6.3
213.05444	1.0
215.06960	1.0
225.07603	1.8
231.06509	0.6
233.08099	3.8
239.07164	0.6
241.05028	1.2
243.08620	1.7
258.05276	1.6
259.05896	0.6
261.09772	0.7
269.04333	0.6
271.09763	2.7
283.05991	0.7
286.04694	1.0
287.05496	100.0
288.05762	5.7
299.05487	5.3
311.05566	1.2
313.07080	1.2
313.14163	0.7
325.07047	1.4
329.06595	5.2
330.06732	0.6
337.06903	1.0
339.12415	2.0
341.06686	0.9
347.07614	6.9
353.06625	3.9
365.06488	2.2
383.07626	6.4
401.08640	2.8
419.09784	7.7
420.10117	0.9
551.13196	0.8
565.15405	0.9
697.52118	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1969
Annotation	Haploside C
Peak:m/z	Relative Intensity
51.12572	0.3
55.05500	1.3
57.03440	0.7
61.02923	1.6
68.99790	0.4
69.03416	0.6
71.04995	13.8
75.04484	0.9
81.03407	0.6
83.04984	5.9
85.02907	4.7
87.04466	1.8
88.54220	0.3
91.03948	0.5
97.02903	1.1
98.06041	0.3
99.04447	0.5
100.11251	0.6
103.78665	0.3
111.04441	13.6
111.05199	0.8
112.04729	0.4
113.06006	4.9
115.03944	1.1
117.05479	2.7
121.02858	0.6
129.05475	18.8
133.02817	0.4
137.02344	1.0
137.05974	0.6
139.03902	3.5
145.22751	0.4
153.01852	5.6
153.05461	4.8
154.06219	0.5
165.01852	2.1
165.40579	0.4
171.06523	4.8
172.06924	0.5
178.02654	0.5
181.04935	1.8
183.02905	0.6
189.07574	12.1
202.47108	0.3
207.06593	1.1
213.05505	0.8
216.04192	0.4
229.04941	1.1
230.05762	0.9
231.06519	1.0
233.04642	0.4
241.04938	0.8
243.02806	0.5
244.03711	1.1
245.04504	0.8
255.02965	0.4
256.03757	0.3
257.04443	1.1
258.05283	4.7
259.06006	1.9
269.04507	1.6
271.36557	0.4
272.03030	0.5
279.74371	0.4
284.03204	0.5
285.04010	1.5
286.04758	4.2
287.05475	7.4
288.05930	0.5
289.03391	0.7
291.08615	2.2
303.04996	2.3
313.03235	0.8
314.04169	1.4
315.04990	2.8
316.05490	0.8
318.07391	0.7
319.51831	0.4
331.04456	5.0
332.05176	2.5
347.07608	100.0
348.07944	6.9
520.79681	0.4
697.52173	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.05508	1.1
57.03441	1.4
61.02929	4.0
67.05509	2.0
69.03429	2.5
69.06972	1.8
69.07367	0.5
69.33877	0.3
71.05003	0.9
73.02919	2.8
79.05495	2.5
81.03417	5.8
81.07062	2.3
83.04992	0.9
83.08625	1.7
85.02910	5.6
91.03957	2.2
91.05485	2.6
93.07063	1.7
95.04970	2.3
95.08626	0.7
97.02898	3.4
97.10146	0.4
97.17949	0.3
99.04478	0.7
101.02392	1.4
101.27639	0.2
104.10764	0.4
105.07041	2.1
107.04990	0.4
107.08596	0.9
109.02894	0.8
109.06552	0.5
109.10171	0.5
111.04478	0.4
111.08097	0.7
113.06030	0.4
119.08562	1.6
121.06673	0.3
121.10155	0.9
123.08065	0.4
127.03923	1.3
129.07027	0.8
131.08565	0.9
133.10164	1.2
134.02998	0.2
145.10167	0.3
147.08098	0.3
147.11726	1.0
149.09666	0.5
157.10129	1.3
175.11249	1.2
184.07372	0.3
185.04236	0.6
193.12244	3.0
211.13268	2.1
221.11395	0.3
243.08354	2.6
251.12543	3.5
285.17145	0.4
307.15259	0.9
321.58539	0.2
333.63373	0.3
429.33713	0.3
469.20444	13.7
470.20984	1.4
535.29352	0.3
697.34003	100.0
698.34363	16.9
704.09027	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
55.01880	0.6
55.05512	1.0
57.03432	2.0
57.79253	0.2
61.02929	4.0
67.05510	2.1
69.03442	2.6
69.07066	0.7
69.16600	1.8
71.04996	0.5
73.02919	3.2
75.17469	0.2
75.36243	0.2
79.05490	2.5
81.03418	4.3
81.07061	2.4
83.04980	1.1
83.08597	1.3
85.02907	6.5
87.04497	0.2
91.03966	2.4
91.05482	3.3
93.07044	1.4
95.04974	1.9
95.08621	0.9
97.02892	3.5
97.06540	0.5
99.04462	0.7
101.02406	1.5
103.03973	0.5
103.05438	0.3
105.07027	2.2
107.04961	0.8
107.08608	0.7
109.02892	0.7
109.06541	0.5
111.04484	0.3
111.08088	0.6
111.44630	0.2
113.05965	0.2
115.03965	0.2
117.07046	0.3
119.08588	1.7
121.06568	0.4
121.10135	0.8
123.08096	0.4
127.03924	1.3
129.07034	1.0
129.41444	0.3
131.04936	0.2
131.08635	0.9
133.06488	0.3
133.10133	1.6
137.05974	1.7
142.07874	0.3
145.04999	0.2
147.08148	0.3
147.11694	1.2
149.09651	0.7
157.10185	1.4
157.11304	0.2
161.06004	0.4
175.07555	0.4
175.11177	1.1
185.04352	0.5
193.12285	1.7
203.05281	0.4
211.13232	1.4
243.08371	1.7
251.12523	1.8
297.11261	0.3
307.15298	0.9
469.20471	13.1
470.20834	1.1
536.35925	0.3
693.89203	0.2
697.34021	100.0
698.34375	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95732	1.0
52.48774	0.8
53.03947	1.0
55.01852	1.3
55.05509	2.7
57.03431	3.3
61.02924	6.2
67.05501	11.7
69.03431	3.5
69.07069	2.4
71.05025	0.9
72.61219	0.9
73.02908	5.2
73.41702	0.8
73.51798	0.7
79.05486	4.2
81.03413	1.9
81.07050	8.7
83.04986	2.3
83.08615	1.9
85.02895	6.0
91.03941	5.6
91.05479	6.1
93.07028	6.8
95.04945	1.0
95.08604	5.4
97.02880	6.0
97.06537	0.9
98.23450	1.5
99.04446	2.0
101.02361	2.1
103.03940	1.1
105.07024	6.2
107.08575	5.7
107.48858	0.9
109.10153	10.7
111.04443	1.5
111.08091	2.4
116.83410	0.9
117.07048	1.1
119.08579	5.4
121.10155	2.1
123.04320	0.8
127.03912	2.2
129.05475	1.4
129.06985	1.6
131.08578	3.7
133.10149	4.1
135.08083	1.4
135.11720	2.0
139.07564	1.1
140.60886	0.8
142.07748	0.9
143.08565	1.8
145.10164	3.2
147.11670	2.4
155.08542	1.7
155.10666	1.3
157.10150	2.1
159.11684	2.7
161.13222	1.6
167.08488	1.1
169.10144	1.5
171.11714	1.6
173.11737	3.7
173.13170	1.2
181.04718	0.9
181.10158	1.7
183.11722	1.2
185.02568	0.8
185.04239	3.5
187.14861	1.3
189.12839	1.2
193.10231	0.9
195.08289	1.0
195.09985	1.1
197.13139	0.9
199.14876	1.3
201.03741	1.6
201.16412	2.9
203.05371	1.1
207.11687	2.0
209.13263	1.0
213.12662	0.9
221.13396	1.3
223.14832	2.0
229.14322	1.7
243.08449	4.0
249.16460	1.2
259.14899	1.0
265.14105	1.0
269.17422	0.8
273.16125	1.0
275.14194	1.3
301.08847	5.8
307.14764	1.0
315.10538	2.2
343.13901	1.0
369.15189	1.5
371.16846	3.5
373.11111	3.6
385.18445	1.7
413.17725	19.6
414.18198	1.2
415.26749	0.8
425.21497	3.1
429.17499	1.1
443.18958	1.1
453.21176	5.6
463.26492	1.3
469.20117	1.3
483.21454	1.2
484.22974	1.6
485.19800	6.5
497.23563	1.8
499.21268	1.8
516.21503	1.0
541.26190	4.7
553.29730	1.2
567.31415	22.7
568.31836	2.6
596.31567	7.2
597.32477	1.7
623.33862	1.3
625.31879	100.0
626.32190	13.4
628.30896	3.7
643.41876	0.9
651.33350	7.7
653.34845	1.1
661.42188	3.4
669.34583	1.5
679.43237	1.6
697.33881	30.6
698.34778	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
53.71853	0.9
54.03464	1.0
55.01870	3.0
55.05238	1.0
55.05511	20.1
56.04983	0.8
57.03428	5.8
57.07085	2.0
58.06607	0.9
59.05001	1.2
61.02926	2.3
62.97334	0.8
65.03947	1.1
67.05505	4.4
68.05029	4.9
69.02718	8.6
69.03429	12.3
69.07069	4.3
70.06590	1.0
71.01346	1.6
71.04984	1.3
73.02914	3.5
79.05492	5.3
81.03427	2.6
81.07060	4.6
82.06579	66.9
83.04980	3.2
83.08643	1.1
85.02905	24.8
87.04512	0.9
91.05466	8.1
93.07015	4.2
93.71424	0.8
94.06575	2.1
95.08600	5.2
96.04492	1.2
96.08139	3.0
97.02896	8.7
97.10162	1.2
98.05978	0.8
99.04465	1.4
100.07617	2.0
105.07031	11.8
107.08591	36.3
108.08109	3.3
109.02898	3.0
109.06519	24.0
109.07253	1.7
109.10157	3.7
110.06067	1.9
111.04454	0.8
112.07633	1.1
114.05558	1.1
115.03931	3.4
119.04969	1.6
119.08569	9.4
120.08128	1.5
121.08918	1.3
121.10139	5.8
122.09689	3.4
123.04414	0.9
123.08064	2.7
123.11695	2.0
124.07581	4.3
124.11219	1.5
125.09621	1.2
126.31636	0.8
127.03957	4.8
128.07101	3.2
129.07053	1.0
131.07266	1.3
131.08559	2.5
132.08049	5.5
133.04987	3.8
133.10109	4.0
134.09665	4.2
135.04387	1.1
135.11668	6.5
136.11214	4.0
138.05502	2.3
139.03925	0.9
142.08604	1.0
143.08545	2.1
144.08127	2.1
145.02856	2.0
145.04979	2.6
145.10115	1.1
146.09665	3.6
147.04378	4.0
147.11678	10.7
148.11211	12.4
148.12256	1.2
149.13246	1.8
150.09143	8.7
152.10747	2.2
156.09370	2.6
158.09659	2.6
159.10423	1.2
160.11186	1.0
161.13310	5.0
162.12735	5.3
163.03940	3.6
164.10678	2.1
164.14337	7.8
165.12737	5.9
166.12195	1.4
168.10266	0.9
171.11699	2.2
173.12010	4.0
173.13295	2.8
174.12740	4.2
177.05499	2.7
177.12732	1.8
178.15898	2.2
182.15411	2.7
182.47972	0.9
188.14359	22.8
189.12726	0.9
189.14978	2.0
190.15965	1.3
206.15395	100.0
207.15700	4.7
208.16893	1.0
224.16443	55.7
225.16849	3.7
242.17480	2.9
247.05983	1.5
273.06207	1.2
338.19662	1.6
355.79501	0.8
361.08954	1.2
368.20688	29.3
369.20987	2.5
386.21729	16.0
387.22070	1.0
404.22650	2.0
470.81567	1.0
500.24896	1.3
518.25732	3.6
548.26929	2.1
699.18671	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
54.03456	1.1
55.01867	4.0
55.05513	20.8
55.51265	0.7
57.03439	6.5
57.07068	1.9
58.06596	1.0
61.02912	2.5
65.03945	1.2
67.04211	0.9
67.05498	4.4
68.05020	4.3
69.03430	11.6
69.07053	2.5
70.06586	2.0
70.28650	1.9
70.29000	0.8
71.01362	1.4
71.04980	1.7
73.02915	5.2
79.05489	6.1
81.03417	2.7
81.07054	3.5
82.06577	71.4
83.04977	3.3
83.06898	1.6
83.08623	1.9
84.04481	1.2
84.08146	0.9
85.02902	21.1
87.04436	1.3
90.75187	0.8
91.05475	7.6
93.07030	5.1
94.06548	1.3
94.38519	0.7
95.04924	1.2
95.08602	6.7
96.04482	1.2
96.08121	3.4
97.02893	10.2
97.10169	0.9
99.04496	1.3
100.07597	2.2
103.03944	1.1
105.04498	1.0
105.07032	14.1
106.06586	0.9
107.07455	1.4
107.08592	35.5
107.52487	0.7
108.08109	3.8
108.08829	1.4
109.02856	2.5
109.06512	17.9
109.10161	2.7
110.06033	0.9
110.06817	0.8
110.09661	1.0
111.08095	0.9
111.11791	0.7
115.03922	2.9
115.92776	0.8
117.07001	1.2
119.04943	1.3
119.08576	12.4
120.08136	1.2
121.08929	1.1
121.10134	7.6
122.09659	2.9
123.04444	1.1
123.08063	2.5
123.11663	1.8
124.07598	5.1
124.11219	1.5
125.09615	1.6
126.09152	1.3
127.03949	4.9
128.07034	2.3
131.08560	2.1
132.08109	4.8
133.04980	3.0
133.08887	0.8
133.10110	6.5
134.09688	4.1
135.04395	1.4
135.11696	4.9
136.11232	3.7
138.05493	1.5
138.09149	0.8
141.07014	0.7
143.08516	2.0
144.08083	6.5
145.05029	3.8
145.10092	1.5
146.09660	3.7
147.04474	1.9
147.11670	12.8
148.11209	11.6
148.12303	0.9
149.11990	1.2
149.13211	1.7
150.09142	7.9
152.10666	2.0
156.09271	2.0
157.87907	0.8
158.09628	2.7
159.10454	1.6
159.11662	1.1
160.11212	1.3
161.13286	4.4
162.12758	4.8
163.03922	3.7
164.10701	2.7
164.14378	7.1
165.12764	5.2
166.12279	2.3
168.10159	2.2
171.11696	3.0
172.11208	1.7
173.11935	3.9
173.13290	4.6
174.12801	3.4
177.05470	1.7
177.12762	1.5
178.15903	2.4
181.81377	0.9
182.15369	1.7
188.12746	1.3
188.14348	19.9
189.14928	1.8
190.15851	1.8
194.15297	1.0
195.13861	1.2
206.15393	100.0
207.15698	4.1
224.16447	53.2
225.16766	2.9
231.30545	0.8
242.17470	3.5
245.04453	6.5
246.04872	3.0
255.22795	0.8
273.06073	0.8
338.19464	1.1
355.19153	0.9
356.20810	0.9
368.20673	33.6
369.21033	1.7
386.21729	17.7
394.06314	1.6
403.73874	0.9
404.22745	2.8
407.07428	1.4
408.07755	2.4
500.24780	2.0
518.25763	4.2
546.10522	1.1
548.26605	2.4
698.15460	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	13.7
57.07086	7.1
67.05513	21.9
69.02901	28.6
69.07073	18.7
71.05005	5.6
79.05501	13.4
81.07048	87.8
82.07371	4.0
83.04990	6.5
83.08636	7.8
89.01323	3.3
91.05459	8.8
93.07043	20.8
95.04982	7.4
95.08606	77.1
97.06512	6.8
105.07030	19.8
107.08591	36.2
109.10157	36.6
111.08066	8.8
113.06032	4.6
119.08584	28.2
121.10131	23.4
123.08083	14.2
123.11740	9.5
125.06011	4.3
131.08600	14.3
133.10121	24.5
135.11714	14.0
137.13269	14.4
139.07607	6.0
141.09114	4.4
143.08585	16.9
144.09413	5.1
145.10130	33.8
147.11705	18.2
149.09708	5.0
149.13263	5.5
157.10149	12.9
159.11688	28.9
161.09624	11.9
161.13242	15.7
163.11230	6.1
167.05447	4.1
169.10152	5.8
171.11699	23.7
173.09615	6.4
173.13269	22.1
175.11232	8.1
175.14804	11.8
183.11679	9.0
185.13260	16.2
187.11194	10.4
187.14789	21.8
189.12695	5.0
189.16415	8.0
195.11649	5.0
197.13226	20.0
199.14844	17.6
201.12778	4.2
201.16376	13.4
203.18066	4.0
211.14828	9.5
213.12811	5.0
213.16365	11.7
215.14378	9.9
221.13443	4.2
221.15424	7.6
225.16415	6.1
227.14398	5.6
229.15739	4.3
233.15369	10.3
235.17015	13.5
239.09406	6.5
239.14398	4.5
239.17905	18.5
240.18663	6.7
241.19482	5.5
247.16881	5.4
267.17422	4.6
281.22641	9.1
283.24277	9.7
327.87421	3.9
395.29617	6.2
403.30115	6.0
421.31024	76.4
422.31375	9.0
423.32547	100.0
424.33002	17.0
431.29565	14.8
439.31964	16.9
449.30615	56.7
450.31012	7.5
467.31427	26.5
477.44247	4.4
485.32425	8.5
509.32574	17.0
527.33380	24.0
600.50116	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.52
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.9
55.01867	7.9
55.05269	3.6
55.05513	40.9
57.03427	9.2
57.07070	3.4
65.03934	4.7
67.05506	100.0
69.06784	2.9
69.07072	33.4
71.04990	9.2
71.08631	25.7
79.05492	60.1
81.03407	9.7
81.06575	5.9
81.07058	96.5
82.07404	3.6
83.04998	21.1
83.08620	24.6
85.06549	8.9
86.09706	7.0
91.05478	56.6
93.07045	75.7
95.04994	17.5
95.08599	59.5
96.74683	2.8
97.06522	15.2
97.10152	9.9
98.23447	5.1
99.08105	25.0
105.07024	39.6
107.04947	6.3
107.08591	37.7
109.06519	4.8
109.10165	22.1
111.08086	4.1
117.06999	16.6
119.08568	28.6
121.10139	19.8
123.08044	6.7
123.11713	5.2
125.09595	6.0
129.06985	7.0
131.08569	25.5
133.10114	26.3
135.08067	3.0
135.11699	15.1
139.07520	2.8
139.11163	6.1
140.06221	2.6
141.06992	3.8
143.08566	9.9
145.10144	18.3
147.11658	12.8
149.09668	3.6
149.13275	24.4
151.11191	24.3
157.10130	6.5
159.11681	13.9
161.13252	13.7
163.11180	17.1
171.11685	7.8
173.13251	4.2
179.14288	7.6
185.13225	4.5
187.14769	3.4
190.03738	2.8
195.13800	10.8
227.12743	6.6
241.19563	6.8
259.20660	5.3
269.17480	33.4
277.21701	20.5
351.25296	26.1
352.25711	3.4
431.27896	3.9
463.30569	30.5
464.30716	4.7
515.37164	6.7
527.37885	3.8
545.38281	32.9
627.46338	3.3
639.35986	4.0
699.43958	4.0
709.40027	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.5562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69584	0.7
55.05502	3.3
56.05019	1.9
56.10862	0.9
57.07069	3.6
60.04515	2.1
67.05506	11.6
68.05043	0.8
69.07062	4.2
70.06591	0.9
71.08631	1.7
79.05489	7.9
80.05016	3.4
81.05813	1.2
81.07059	7.6
81.11754	0.8
82.06587	5.0
83.08614	2.8
85.02909	1.8
91.05439	5.1
93.05830	0.9
93.07043	7.2
94.06568	16.2
95.07366	4.2
95.08624	6.7
96.08131	3.0
97.10163	1.9
105.07026	5.3
107.08592	2.9
108.08129	2.6
109.10174	2.3
119.08584	3.0
121.10147	2.8
122.09671	2.3
123.11720	1.6
133.10112	2.5
134.10492	0.8
135.11659	2.0
145.10115	0.8
147.11719	1.3
167.05586	1.2
233.22592	1.4
245.22624	1.7
250.25383	4.4
256.26334	2.5
262.25299	100.0
263.25674	10.6
264.26047	1.6
280.26285	7.5
330.83694	0.7
356.77106	0.7
442.31604	1.2
488.48148	2.0
500.48297	6.6
501.48486	1.2
502.49652	2.1
518.49286	18.1
519.49365	3.0
536.50018	1.6
600.50421	1.4
680.54614	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.19
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12528	0.4
59.42010	0.4
63.67492	0.5
65.03935	0.5
66.89483	0.5
69.02963	4.9
69.03363	0.7
91.05478	4.1
119.04944	11.5
123.04429	0.5
125.04125	0.5
145.03458	1.0
147.04404	41.2
148.04710	1.5
162.60301	0.5
163.03889	0.5
169.02599	13.1
171.05013	0.6
179.03165	0.6
197.04208	3.5
202.00481	0.4
205.03511	0.8
215.05257	16.0
217.03809	0.9
223.04541	1.3
247.06047	0.6
273.06104	1.8
291.07080	0.9
323.81180	0.4
343.07758	1.8
361.08905	100.0
362.09210	7.0
379.09021	2.7
379.13049	0.6
397.09711	1.5
430.73239	0.5
507.11182	1.1
525.12372	1.4
553.15057	0.5
643.47968	0.5
681.17230	0.7
699.18372	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01870	0.4
55.05507	0.8
57.03435	1.4
59.04998	0.6
61.02928	3.8
66.75334	0.3
67.05502	2.6
69.03426	1.7
69.07076	0.8
70.52263	0.8
70.99657	0.3
71.01362	0.7
71.04996	1.5
73.02909	2.7
79.05489	3.2
81.03416	3.4
81.07053	2.5
81.92448	0.2
83.04984	1.1
83.08604	0.5
85.02902	3.3
85.06541	0.6
87.04475	0.7
91.03967	1.6
91.05471	2.5
93.07045	3.6
95.04980	1.1
95.08628	1.0
97.02884	3.4
97.06538	1.2
97.10164	0.6
99.04452	0.7
101.02388	1.1
103.03947	0.3
105.06998	1.3
107.08589	2.7
109.02880	0.7
109.06578	0.4
109.10166	0.7
111.08086	0.3
119.08587	0.9
121.06555	0.4
121.10099	1.5
127.03925	1.2
129.07011	0.8
131.08585	1.2
133.10135	0.8
135.11671	3.1
145.05029	0.4
145.10170	0.5
147.11723	1.1
149.09651	1.1
157.10159	0.7
163.11179	0.5
181.12207	0.6
185.04100	0.4
193.12201	1.5
203.05302	0.5
211.13377	0.4
221.11559	0.6
225.14844	0.4
243.08395	2.1
252.66254	0.3
255.16031	0.7
267.15875	0.9
283.15164	2.6
300.42892	0.3
339.17886	1.0
423.92102	0.3
439.19373	8.6
440.19824	0.8
441.21310	0.3
469.20792	0.5
501.23001	7.9
502.23413	0.6
537.30414	0.4
699.35535	100.0
700.35822	15.4
705.38129	0.3
719.55774	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01873	0.6
55.05517	0.7
56.94091	0.3
57.03442	1.2
61.02937	4.2
65.06596	0.3
67.05505	3.0
67.21709	0.3
69.03438	2.3
69.07094	0.4
69.13841	2.9
71.01357	0.4
71.04996	2.7
73.02919	3.1
79.05516	2.3
81.03412	2.9
81.07056	2.2
83.04996	1.3
83.08640	0.8
84.98318	0.3
85.02907	4.8
91.03954	2.2
91.05491	2.5
93.07024	2.0
95.05009	0.9
95.08619	0.7
95.15449	0.4
97.02885	4.2
97.03437	0.5
97.06534	0.8
98.23352	0.8
99.04458	0.9
101.02405	1.5
105.07061	0.8
107.04977	0.3
107.08621	1.0
109.02879	0.7
109.10162	2.2
111.08125	0.7
115.03909	0.4
119.08626	1.5
121.10176	0.8
127.03962	1.0
129.07004	0.5
131.08618	0.8
133.06499	0.5
133.10178	1.0
135.11710	0.7
137.09665	0.8
147.11720	0.7
149.09668	0.4
155.10718	0.5
157.10135	0.7
163.11243	0.4
175.11221	1.0
185.04211	0.5
186.11990	0.4
193.12314	1.1
203.05170	0.6
211.13264	0.4
243.08386	2.2
253.14191	1.2
285.17001	0.4
309.16888	0.4
326.68329	0.4
353.54175	0.3
397.89050	0.4
469.20465	8.1
470.20865	0.6
471.22040	4.0
472.22342	0.5
667.33289	0.5
699.35596	100.0
700.35907	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.356
Annotation	Unknow
Peak:m/z	Relative Intensity
68.04607	0.2
69.29491	1.3
69.29897	0.5
98.22676	0.5
113.55156	0.3
160.07584	0.3
171.06955	0.2
172.61475	0.3
178.86040	0.2
185.04233	0.6
259.08017	0.6
286.26028	0.3
347.09570	1.0
364.56891	0.3
537.30316	16.4
538.30743	1.8
551.18457	0.3
689.70300	0.3
699.35583	100.0
700.35889	11.7
700.48425	0.4
706.71362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.8
53.03938	9.8
55.01890	3.3
55.05513	30.2
55.95447	2.3
57.03441	3.3
57.07077	6.5
65.03934	5.0
67.05504	56.5
69.03440	4.8
69.07071	25.7
71.04990	2.8
71.07404	2.9
79.05493	41.3
81.03413	4.5
81.07056	77.0
83.04983	30.6
83.08625	8.7
84.05353	2.2
86.09693	11.2
86.97118	2.1
91.05476	62.3
91.06006	4.8
93.07047	80.1
95.04964	14.4
95.08605	100.0
96.08978	2.9
97.06541	4.4
99.63741	2.2
103.05472	4.0
105.04549	3.0
105.07028	85.6
107.04948	3.2
107.08595	74.3
109.06535	10.6
109.10152	51.7
111.04431	12.5
111.08068	19.3
115.05450	6.8
116.06186	2.9
117.07001	17.8
119.08581	82.1
120.08888	3.3
121.06480	7.2
121.10144	40.2
123.08060	6.9
123.11694	22.2
125.00011	10.6
128.06218	9.3
129.06987	18.0
130.07828	3.7
131.08575	33.9
133.10123	56.5
133.11049	4.3
134.10432	2.4
135.08047	7.3
135.11687	26.1
137.05972	4.1
137.09634	4.1
137.13225	3.6
139.07574	15.0
141.06958	11.8
142.07793	10.6
143.08583	25.2
144.09337	6.2
145.06464	4.4
145.10135	41.6
146.10390	2.4
147.08066	9.1
147.11679	52.4
149.09593	6.4
149.13264	25.5
153.07018	7.0
154.07813	5.5
155.08546	17.7
156.09326	12.1
157.06467	5.1
157.10133	38.4
158.10789	3.5
159.08076	8.1
159.11691	32.8
161.09654	8.5
161.13260	24.8
163.14796	11.2
165.07043	7.6
165.09158	3.2
166.07834	3.6
167.08572	10.4
168.09361	3.7
169.06494	2.5
169.10124	25.1
170.10896	3.7
171.08113	6.7
171.11685	23.4
172.08887	3.3
172.12253	3.2
173.09631	10.6
173.13243	11.9
174.19958	2.4
175.11247	7.3
175.14833	10.3
177.16414	5.7
178.07787	4.3
179.08600	9.5
180.09315	5.3
181.10112	17.1
182.10905	4.3
183.08147	6.3
183.10280	3.6
183.11684	20.0
184.07343	36.9
184.12355	2.5
185.09636	4.4
185.13190	13.8
187.11087	11.4
187.14857	7.3
189.09131	2.6
189.16400	14.1
191.08572	2.9
191.17969	3.4
192.09317	5.5
193.10138	14.2
194.10959	6.9
195.08005	5.2
195.11670	19.2
196.08879	2.1
196.12491	6.4
197.09653	7.2
197.13255	19.1
198.13747	2.8
199.11195	7.6
199.14867	11.1
201.12759	5.4
201.16373	12.7
202.07855	2.4
203.08647	4.8
203.17946	35.8
204.18367	2.9
205.10135	10.2
206.10951	7.1
207.08095	3.5
207.11653	17.7
208.12491	3.8
209.09663	7.7
209.13231	19.5
211.11203	7.6
211.14815	13.4
212.11842	2.5
213.12796	7.1
213.16296	5.0
215.08632	3.1
215.14247	2.6
215.18050	5.8
216.09373	2.4
217.10120	8.2
217.12280	4.9
218.10854	6.8
219.11652	9.8
220.12440	7.5
221.09726	4.4
221.13239	16.5
223.11296	5.3
223.14816	13.4
224.15558	2.7
225.12727	8.1
225.16238	5.4
227.14325	9.8
229.10098	4.7
230.10895	4.2
231.11725	10.3
231.13788	2.5
232.12370	4.7
233.13255	11.1
234.13962	6.7
235.11226	4.6
235.14880	13.5
236.11771	3.0
237.12666	5.7
237.16389	10.4
238.16873	3.1
239.14334	8.3
239.18033	3.0
241.19446	4.1
243.11716	6.3
243.13954	2.5
244.12480	4.8
245.13258	11.9
245.15482	4.5
246.10419	2.7
246.13988	5.9
247.11243	4.9
247.14885	11.2
248.12062	3.1
248.15561	2.8
249.12787	4.8
249.16429	9.3
251.14447	2.8
251.18042	5.5
257.13184	6.2
257.15503	3.8
258.13922	3.1
259.11160	4.8
259.14810	8.3
261.12701	3.9
261.16434	6.4
262.13531	2.9
263.14316	4.1
263.17923	4.0
265.19485	4.0
270.13892	3.2
271.11377	3.1
271.14813	8.1
272.15445	3.0
273.12766	4.7
273.16354	8.6
274.16776	2.7
275.14362	5.7
275.17856	7.0
277.15829	6.6
277.19489	4.9
279.17511	2.8
283.14493	3.9
284.15411	2.8
285.12888	4.5
285.16336	7.5
286.16827	3.2
287.14432	5.0
287.17905	5.9
289.15988	2.5
289.19278	6.1
291.17682	3.1
291.21054	3.8
293.22635	3.1
295.17068	3.1
298.52625	2.4
299.14685	4.7
299.17828	5.7
301.16013	4.4
301.19403	3.4
302.20361	2.5
303.17477	4.6
303.21008	2.8
305.15430	3.4
305.22620	4.0
307.17035	3.1
311.17773	3.9
313.15939	3.6
313.19324	3.2
317.19107	4.6
321.18539	2.9
329.18979	8.0
335.20142	3.7
335.26300	3.0
341.22742	3.0
343.20572	4.1
345.22086	4.2
347.19888	3.8
363.23007	4.5
377.24789	2.9
381.24146	2.7
389.24667	3.2
403.26315	2.8
415.26239	5.9
425.24557	4.6
426.24933	2.8
441.24203	4.2
443.25812	7.8
459.25146	4.7
461.26920	5.8
502.35825	4.5
511.35880	2.9
525.37555	2.7
617.43658	4.3
621.42438	2.5
635.44092	2.9
645.42676	16.1
663.44086	13.2
664.44763	5.5
699.44714	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07526	0.3
55.01883	0.7
57.03070	0.2
60.18684	0.3
61.02923	1.0
65.03946	0.9
66.04716	0.4
67.05493	0.3
69.03427	1.8
69.21588	1.0
69.22010	1.0
69.52942	0.2
71.04990	0.5
73.02926	0.6
79.05487	0.5
81.03419	1.9
81.07057	0.8
85.02903	7.6
91.03962	0.6
91.05480	0.8
93.03408	0.8
94.04190	1.5
97.02902	2.6
99.04457	0.5
103.05468	1.0
103.34859	0.2
107.04952	0.4
109.02885	0.6
109.06517	1.0
111.04460	0.7
115.05450	6.2
117.06993	1.6
119.04955	0.5
122.03646	2.6
125.05991	1.1
127.03935	1.7
128.06232	1.0
129.07001	4.3
131.04918	2.5
131.08548	0.3
133.02831	0.3
137.05972	71.1
138.06306	2.1
143.04916	10.8
144.05643	1.2
145.04991	2.6
145.06487	1.8
145.30205	0.2
146.03583	0.6
147.07988	0.4
149.06024	0.6
151.03902	0.9
151.07527	0.8
153.05475	2.0
156.05717	0.3
157.06487	4.4
158.06932	0.3
159.08064	0.2
160.05193	15.7
161.05878	2.1
162.07623	0.4
163.06143	0.5
163.07535	2.0
165.05482	0.6
172.05173	2.5
173.06033	0.6
174.06770	1.6
175.07539	100.0
176.07887	4.3
177.05432	0.4
177.09093	0.6
179.06984	0.3
180.08675	1.2
185.05994	0.5
187.07536	34.1
188.07979	1.5
189.09100	7.0
191.06999	0.4
191.08626	0.5
199.07539	0.4
202.07848	0.4
203.08548	1.7
205.08595	23.2
206.08916	1.1
211.07588	1.6
217.08574	3.4
219.08026	1.4
220.08641	0.4
227.06943	0.4
231.08057	2.1
232.08620	0.3
235.09634	29.4
236.09982	1.2
239.06969	1.5
240.07710	0.8
247.07570	0.8
248.08324	2.2
249.08867	0.3
251.10640	0.6
253.97133	0.3
255.06516	0.8
256.07199	0.5
259.07419	1.2
260.08408	0.4
263.10712	2.5
264.07843	0.3
265.08380	0.3
269.08051	0.4
270.08817	1.8
271.09628	3.4
276.07761	0.9
277.08334	0.6
279.10052	1.7
283.09579	0.9
291.10162	5.3
292.10745	0.4
293.08054	0.5
296.10339	0.6
297.10968	0.5
308.10416	0.4
309.11218	0.3
311.12772	2.4
323.12766	6.7
324.12976	0.5
341.13815	9.6
342.13968	0.5
446.26129	0.3
638.57819	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68541	0.4
51.02370	0.9
53.03947	0.6
55.01863	0.6
57.03434	0.5
61.02929	0.7
61.32408	0.4
67.05510	0.4
69.03421	1.4
69.14396	3.3
70.64719	0.4
71.34987	0.4
77.03936	0.5
79.05495	3.0
81.03416	1.4
83.04954	0.6
85.02908	7.5
91.05474	1.8
95.04967	1.1
97.02880	1.8
103.05466	3.4
105.03395	1.2
105.04508	0.6
105.07034	4.6
107.04958	1.4
109.02888	0.8
115.05471	0.7
117.07007	0.9
119.04926	0.9
121.06489	2.8
127.03897	1.9
128.06241	0.6
129.06978	1.2
131.04926	13.8
131.08594	0.4
132.05307	0.4
133.06493	27.5
133.67574	0.4
134.06847	0.8
135.04416	100.0
136.04755	3.4
137.05966	1.9
143.04932	1.1
143.08531	2.2
145.05016	2.0
145.06436	2.8
149.05986	9.1
157.06506	2.3
160.05231	0.7
161.05980	21.9
162.06291	0.9
163.06013	1.2
163.07562	1.4
171.08012	2.5
172.05211	0.7
173.05991	3.8
175.07498	1.1
180.12285	0.5
185.05981	1.5
186.06758	1.6
187.07538	6.1
187.09082	0.5
201.09114	5.3
205.08615	2.1
217.10240	0.4
219.10158	1.2
235.11168	1.3
245.09628	0.9
263.10632	1.5
293.11728	11.6
294.12109	1.1
308.10150	0.7
323.12769	56.7
324.13040	4.8
341.09583	0.7
341.13834	13.4
342.14169	1.1
385.95493	0.4
394.67078	0.5
413.35507	0.4
415.12122	0.8
483.96155	0.5
577.24133	0.4
701.16931	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24645	1.6
55.01874	3.3
55.05514	4.5
57.03439	7.7
57.07076	2.9
61.02912	4.5
65.03961	1.7
67.05500	7.0
69.03430	29.5
69.07053	8.5
71.04993	2.2
71.29417	1.9
73.02917	7.7
79.05511	4.4
81.03426	7.4
81.07057	6.7
82.06578	3.1
83.04998	2.7
83.08617	3.8
85.02901	53.3
87.04458	2.2
88.05190	1.6
91.03933	2.5
91.05480	18.6
93.07050	7.1
95.04967	2.6
95.08624	6.8
97.02890	17.3
99.04485	3.1
105.07023	22.7
107.04954	2.5
107.08592	19.2
109.02883	2.4
109.06484	2.8
109.10161	7.1
115.03923	6.3
115.05437	2.0
117.07021	7.0
119.08591	28.2
121.10164	17.3
123.11696	4.3
125.09616	4.3
127.03909	15.0
129.06987	10.3
130.07785	4.7
131.08569	36.3
133.04950	6.9
133.10112	20.6
135.08025	5.2
135.11691	4.9
137.06013	5.6
143.08563	15.3
144.08073	5.1
144.09348	6.3
145.04947	24.2
145.10112	20.7
147.11650	11.9
149.09653	2.5
149.13205	9.7
158.10895	18.2
163.06050	12.0
173.13264	99.9
174.13574	6.1
175.07579	6.7
175.14818	34.6
177.05476	2.0
187.07611	2.7
191.14307	100.0
192.14653	3.9
193.15948	4.3
193.36598	2.0
208.16960	8.2
209.15425	15.3
215.14156	1.8
226.18042	10.2
235.09651	2.6
247.06042	3.1
259.08136	2.5
287.16281	2.0
295.10281	2.0
305.17493	10.4
317.46472	1.8
323.18527	14.7
325.11282	9.4
353.19598	3.2
388.23322	7.6
647.29059	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23109	1.9
55.05516	14.7
57.03439	3.2
57.07085	5.2
58.99924	2.1
67.05500	25.7
69.03431	2.6
69.07072	23.1
69.14276	19.4
75.00195	2.1
79.05499	16.7
80.42672	2.2
81.03410	3.7
81.06582	3.4
81.07056	66.9
83.08607	10.4
85.02895	12.4
88.24638	2.1
91.05497	11.2
93.07040	44.5
95.05001	3.9
95.08608	57.1
97.02879	5.2
97.06544	5.9
97.10161	13.1
105.07040	18.3
105.39737	2.4
107.08590	46.2
109.06525	3.5
109.10160	35.7
111.08064	6.6
111.11712	4.2
119.08598	19.0
121.10143	29.9
123.08072	4.2
123.11712	23.6
125.09623	8.2
131.08522	3.3
133.10123	13.4
134.06070	2.7
135.11652	18.4
137.05980	6.0
137.09575	4.9
137.13234	6.8
139.11151	2.8
145.10110	4.1
147.11671	19.7
149.13257	51.1
151.03909	2.7
151.11191	5.1
153.47900	2.5
159.11661	6.0
161.13229	6.9
163.14819	12.4
165.12837	3.2
166.92863	2.1
173.13242	4.4
175.14815	4.9
177.16385	6.9
179.14455	2.6
189.16402	4.3
195.17467	3.4
206.08037	4.5
209.15431	2.8
259.24167	6.8
269.22684	6.9
275.23444	6.1
277.25290	12.9
278.25797	2.9
287.23767	11.0
293.24741	20.2
305.24722	100.0
306.25043	10.2
323.25809	40.1
324.26071	4.2
341.27032	4.0
367.81213	2.5
452.22754	2.5
502.35150	7.0
520.36182	3.7
538.37341	14.4
697.61530	2.4
699.98383	5.3
700.38727	8.8
701.33020	8.5
701.49365	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.8
57.03437	4.2
57.07076	36.2
58.07396	0.8
60.08153	1.2
61.02926	12.9
64.82696	0.4
67.05503	11.4
69.03429	1.7
69.07063	7.4
69.35043	1.9
69.35473	1.2
71.05013	0.8
71.07356	0.9
71.08632	30.4
72.08940	0.7
73.02911	5.2
75.04476	2.3
79.05482	1.4
81.03407	1.2
81.07056	17.4
82.07383	0.5
83.08612	9.3
85.02902	14.0
85.06532	1.0
85.10181	16.8
86.09704	7.2
86.10493	0.8
87.04437	0.6
89.06022	0.8
91.03953	14.1
91.05476	0.9
93.07030	0.9
95.08602	23.3
96.04473	0.6
96.08938	0.9
97.02892	7.5
97.10165	10.7
98.98456	0.7
99.04449	0.7
99.11729	1.9
103.07558	0.5
104.10672	0.6
105.07011	0.8
107.08604	0.6
109.02880	0.5
109.10154	11.8
110.10504	0.8
111.11726	4.3
113.13261	0.8
115.03925	0.7
121.10126	0.7
123.11725	5.0
124.99987	5.0
125.13270	0.7
127.03897	5.0
133.10164	0.9
137.13214	2.3
145.04953	6.8
151.14816	0.7
163.06009	14.1
184.07339	23.1
215.93027	0.5
249.25775	1.6
267.26828	24.4
268.27188	1.9
285.27905	4.5
326.30188	0.5
329.90186	0.5
341.30493	100.0
342.30829	8.5
359.31549	28.5
360.32047	2.2
484.16443	0.5
700.45001	3.0
701.45306	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95504	6.6
55.05499	19.1
57.07065	10.7
57.95267	7.8
67.05499	33.5
69.07044	19.2
69.56443	40.8
76.66959	8.2
79.05486	17.8
81.07056	27.7
82.06571	11.0
83.08605	8.9
84.85793	7.4
91.05489	16.9
93.07027	16.7
93.59047	7.5
94.06576	25.0
95.04980	8.0
95.07346	12.0
95.08593	30.1
98.22642	9.1
98.23216	18.0
104.03879	6.9
105.07027	15.6
107.08589	14.0
109.10168	17.3
112.77582	7.4
121.10143	9.9
133.10143	14.6
135.11705	7.4
142.50613	7.4
147.11711	9.3
149.87811	8.7
236.23625	8.7
244.56845	7.7
248.23808	35.4
262.25278	100.0
280.97906	7.5
310.95306	7.7
368.24286	7.3
455.70593	8.3
470.30826	9.1
502.46011	29.1
520.47101	16.4
711.39081	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.4
55.01865	1.6
55.05513	65.0
56.05869	1.5
57.03421	3.9
57.07068	3.2
59.05018	1.7
60.80371	1.4
65.03935	2.1
67.05507	24.1
69.03428	2.7
69.07064	13.0
71.30251	2.7
79.05491	20.6
79.39956	1.3
81.07058	42.4
82.07414	2.6
83.04984	68.8
83.08616	3.9
85.06548	2.8
86.09709	6.3
87.04477	2.4
91.05476	27.4
92.05846	1.8
93.07039	29.3
94.07372	2.7
95.04964	4.3
95.08610	41.4
95.09198	1.4
96.08932	4.0
97.06506	2.6
97.10141	2.1
99.04478	2.2
103.05492	1.9
105.07030	56.8
106.07326	1.9
107.08601	31.6
109.06534	5.4
109.10154	16.4
110.10513	1.7
111.04449	3.3
111.08086	3.7
112.89146	1.3
115.03973	1.8
115.05467	5.2
117.07002	13.7
119.04959	4.4
119.08582	46.8
120.08892	2.2
121.06506	4.5
121.10136	14.8
122.10434	2.2
123.08099	5.2
123.11707	5.9
124.99973	7.5
125.09653	1.8
128.06230	7.0
129.06992	11.5
130.07820	4.5
131.08569	24.6
132.05702	10.0
133.06442	2.8
133.10139	22.4
134.10507	2.8
135.08121	2.5
135.11694	6.6
136.08841	2.0
139.07552	3.1
141.06990	6.8
142.07782	16.0
143.08574	27.2
144.09331	7.0
145.10129	56.8
146.10811	3.0
147.08009	8.3
147.11685	21.3
148.11900	2.2
149.13246	5.0
154.07823	1.6
155.08565	7.2
156.09326	6.1
157.10138	43.2
158.10739	2.7
159.08063	1.9
159.11705	40.5
160.12056	3.4
161.09621	5.3
161.13252	6.5
163.14902	2.0
165.06882	2.9
167.08592	3.7
168.09274	2.4
169.10155	7.2
170.10995	1.9
171.08022	1.9
171.11687	11.7
172.12241	1.9
173.09697	3.8
173.13284	10.1
175.07556	2.6
175.11182	2.3
175.14845	3.0
179.08597	4.2
179.10689	4.2
181.10139	3.7
182.10851	2.2
183.08063	2.8
183.11681	7.7
184.07344	31.9
184.12425	2.4
185.09557	3.0
185.13287	13.0
187.11223	2.1
187.14867	4.7
189.12730	2.4
189.16420	11.3
193.10217	3.4
195.06506	3.5
195.11682	4.7
196.08771	2.7
196.12340	2.0
197.09653	3.5
197.13283	7.8
199.14833	38.2
200.15514	8.3
201.16394	100.0
202.16702	8.9
203.17964	6.0
204.18378	2.3
207.10172	20.9
207.11774	4.2
208.12219	2.8
209.09627	3.6
209.13354	4.3
210.06879	1.8
211.07530	2.7
211.11131	2.6
211.14735	2.4
213.16333	2.3
215.17822	2.5
217.15881	4.7
218.16653	2.8
219.11627	2.3
221.09706	1.8
221.13240	3.7
223.14688	3.1
224.08238	3.0
224.76456	1.7
225.09123	2.5
227.07161	1.9
233.09474	2.6
235.14851	3.2
237.05367	2.6
238.06210	2.1
239.07094	4.7
239.10689	3.8
240.07936	2.0
241.04866	1.8
241.08559	3.8
243.15916	6.0
244.16403	2.1
251.07042	4.4
251.14296	2.0
252.07819	2.1
253.08772	2.9
254.05750	2.8
255.06537	2.8
255.10155	2.0
259.06097	2.2
261.12683	2.3
261.16296	1.9
263.14474	1.8
265.08801	2.4
266.05679	3.1
267.06589	4.2
267.10175	5.1
268.07376	2.2
268.10898	1.9
269.04501	3.3
269.08072	4.3
271.05960	3.9
275.14084	1.8
280.07300	3.4
281.08063	10.6
281.11395	3.0
282.08838	2.5
283.06009	3.8
284.06824	2.8
285.07605	4.8
295.06253	2.2
295.09698	5.5
297.07532	2.1
298.08365	4.1
299.09143	4.0
299.12540	2.1
301.07086	7.8
309.07541	7.0
309.10928	2.0
310.08249	2.2
311.05933	2.5
311.09146	12.9
312.09821	3.0
313.10529	3.8
323.09131	7.1
325.10565	3.5
327.08618	8.6
327.12045	2.8
329.10303	8.6
330.10788	2.9
335.25830	4.6
336.26105	3.2
337.10718	4.2
341.10120	10.1
343.11618	2.3
351.08530	2.5
352.09503	1.8
355.11740	32.3
356.12119	2.7
357.13300	3.7
365.09918	3.9
367.11694	1.9
383.11227	31.4
384.11658	3.9
385.12790	6.7
461.26932	3.6
463.28595	2.3
501.22781	5.2
503.37146	1.6
504.37708	3.8
555.27185	3.2
569.25391	2.3
583.26495	2.5
601.27844	7.3
647.43829	3.3
665.45337	4.0
683.44562	2.7
701.46021	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05527	0.3
70.72128	0.2
70.72460	0.3
75.48788	0.2
120.54359	0.2
143.93767	0.2
160.68134	0.2
176.23082	0.2
185.04317	0.6
203.05249	2.3
259.07922	1.6
305.08350	0.4
347.09528	1.1
365.10559	3.5
366.10678	0.2
421.13235	0.9
463.57391	0.2
539.25220	0.3
539.31879	18.4
540.32117	2.3
701.37146	100.0
702.37506	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.6
55.05510	33.8
56.37595	3.8
57.07068	9.7
64.06872	3.5
65.03934	8.5
67.05504	69.2
69.03426	5.8
69.07063	33.7
71.30338	6.2
75.02306	3.7
77.05705	3.6
79.05497	40.7
81.03408	5.9
81.07056	66.1
83.04976	32.1
83.08624	15.6
86.09678	6.1
91.05476	61.4
93.07045	79.8
94.32930	4.4
95.04964	11.7
95.08603	100.0
97.10152	4.8
105.07032	74.2
107.05005	3.9
107.08598	66.0
109.06516	11.0
109.10153	66.9
111.04427	10.5
111.08070	14.8
115.05474	4.3
116.06293	3.8
117.07018	19.2
119.08580	77.8
121.06473	15.1
121.10141	45.6
123.08043	4.4
123.11712	36.9
128.06229	9.8
129.07010	18.3
131.08565	34.5
133.06520	4.7
133.10127	52.8
135.08058	12.8
135.11679	22.6
137.13231	7.5
139.07524	16.6
141.06967	8.1
142.07768	11.5
143.08585	32.4
145.10135	41.4
146.10468	4.0
147.08022	14.4
147.11687	56.7
149.09642	3.9
149.13248	48.6
155.08527	23.3
156.09300	10.9
157.06531	5.2
157.10143	31.8
159.08086	11.3
159.11673	38.7
161.09583	6.2
161.13284	23.6
163.14833	11.6
165.07007	7.8
167.08571	10.7
168.09314	6.4
169.10123	16.9
170.10838	4.6
171.08052	5.0
171.11678	23.3
173.09590	7.6
173.13289	13.9
175.11169	12.3
175.14812	12.4
177.16386	5.4
179.08601	12.4
179.14470	4.0
181.06558	4.1
181.10104	16.4
183.08044	4.1
183.11658	25.2
184.07289	11.8
184.12329	4.5
185.09624	7.2
185.13301	17.3
187.11182	8.8
187.14915	9.1
189.12770	5.6
189.16383	16.6
191.17928	9.3
193.10106	12.4
193.12149	4.6
194.10934	7.4
195.11771	20.9
196.12428	11.2
197.09750	4.8
197.13251	16.4
199.11183	11.7
199.14764	15.8
201.12787	13.4
201.16399	18.9
203.17932	37.1
205.10133	5.9
205.12196	4.2
207.11682	14.8
209.09691	7.2
209.13353	20.8
211.14766	12.9
213.12720	5.9
213.16335	8.6
215.14359	5.2
215.18040	5.0
217.10127	6.4
217.19493	11.4
218.10733	5.2
219.11725	8.4
221.13266	16.6
223.11081	5.2
223.14781	9.3
225.12723	8.6
225.16397	5.8
227.14401	7.0
231.11635	9.9
232.12436	6.8
233.13206	11.2
235.14796	15.4
237.16386	11.0
239.14372	8.8
239.17950	6.5
245.13249	7.5
247.14822	9.9
248.15506	5.0
249.12622	7.7
249.16451	8.6
251.18102	8.2
253.19450	4.8
255.21062	8.1
257.15454	6.9
261.16360	9.0
263.14471	5.3
263.17902	6.8
265.19696	6.1
267.20978	5.3
269.61191	4.2
272.15393	5.5
273.16376	6.7
275.17783	7.4
276.18564	4.0
277.16003	5.8
289.19293	6.0
295.16925	5.6
299.14108	5.4
305.18692	6.8
331.20453	5.6
415.26266	6.3
421.30807	5.3
427.26230	5.9
443.25732	11.3
445.27313	11.1
461.26843	8.0
494.19635	5.0
501.29709	5.1
511.35968	10.9
608.22217	10.5
619.44885	10.4
623.24371	8.0
626.23785	4.9
627.24329	5.5
629.42853	7.5
647.44818	34.2
651.24579	10.4
665.45514	28.7
669.26465	13.2
701.27429	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80808	2.9
53.03944	9.6
55.01871	4.2
55.05514	31.2
57.07078	6.9
57.85970	2.9
65.03940	7.3
67.05504	55.9
69.03436	6.0
69.05780	26.2
69.07068	26.7
71.04990	3.7
79.05495	41.8
81.03414	3.1
81.07059	78.8
83.04977	38.0
83.08625	11.4
86.09704	15.9
88.68580	2.4
91.05483	61.3
92.05792	2.9
93.07046	79.0
94.07389	2.4
95.04974	11.5
95.08609	100.0
96.08928	5.4
97.06541	8.4
97.10172	3.1
105.07034	86.5
107.04969	8.2
107.08598	78.0
108.08945	3.1
109.06516	8.1
109.10156	54.5
111.04454	21.7
111.08072	17.6
113.06014	2.7
115.05479	4.5
117.07030	16.9
119.08586	79.1
121.06522	14.5
121.10133	46.1
123.08076	11.7
123.11713	27.8
124.99997	9.8
125.06014	4.3
128.06229	8.6
129.06998	22.4
130.07762	4.4
131.08578	37.3
133.06535	3.9
133.10135	55.3
134.42220	2.5
135.08092	9.7
135.11694	21.2
137.09534	4.0
139.07520	16.8
141.07001	11.2
141.09126	3.5
142.07780	11.2
143.08554	33.1
144.09293	4.1
145.06522	5.8
145.10121	47.8
145.81006	2.6
146.10771	3.3
147.08072	10.8
147.11688	52.9
148.12039	3.0
149.09639	10.9
149.13284	22.9
151.11240	3.0
153.07007	5.7
154.07793	5.3
155.08583	21.0
156.09373	14.4
157.06496	5.8
157.10124	36.4
159.08087	11.0
159.11691	42.8
160.08618	2.6
161.09604	14.3
161.13278	22.4
163.11208	3.1
163.14850	7.4
165.07051	8.7
166.07828	3.3
167.08583	7.9
168.09312	8.5
169.10158	27.4
170.10808	8.3
171.08076	7.7
171.11710	27.4
172.08896	3.8
172.12245	2.6
173.09637	12.3
173.13298	16.7
175.11174	11.5
175.14851	6.6
177.12738	3.2
177.16434	6.0
179.08566	12.1
180.09305	6.5
181.10121	22.8
182.10814	3.4
183.08028	5.1
183.11699	23.5
184.07344	46.9
184.08862	4.3
184.12439	4.3
185.09612	8.6
185.13272	23.8
187.11169	15.2
187.14832	13.8
189.12759	10.1
189.16380	14.8
191.10745	4.0
191.17940	4.4
192.09358	7.0
193.10141	18.9
194.10928	8.6
195.08031	5.2
195.10089	2.8
195.11653	17.9
196.12277	4.5
197.09631	6.8
197.13268	19.5
198.13860	3.2
199.11205	11.3
199.14807	13.0
201.12756	8.1
201.16348	18.7
203.08551	3.2
203.14206	3.0
203.17961	33.7
204.18312	3.6
205.10132	8.6
206.10909	7.5
207.11700	20.2
208.12444	5.8
209.09605	5.8
209.13246	20.5
210.10374	3.7
211.11192	8.0
211.14886	14.1
213.12753	6.4
213.16354	9.1
215.14284	4.1
215.17958	8.0
217.10210	6.1
217.12207	6.1
217.19540	5.8
218.10963	5.5
219.07953	3.7
219.11720	10.9
220.12463	6.8
221.09634	4.9
221.13283	20.3
222.13982	2.8
223.11194	6.5
223.14777	16.5
225.12744	11.4
225.16438	7.8
227.14337	8.9
227.17923	3.7
229.19466	3.8
231.11684	6.8
232.12329	6.0
233.09695	3.8
233.13242	9.9
233.15375	3.6
234.13892	3.9
235.11205	5.1
235.14856	12.6
236.15540	5.1
237.12750	8.6
237.16406	13.0
239.14336	10.3
239.17979	4.8
241.15897	4.5
241.19461	2.6
243.11642	4.6
243.14015	3.3
244.12457	3.8
245.09569	3.5
245.13269	9.6
245.15486	4.8
246.14049	5.2
247.11240	5.2
247.14853	11.3
248.15390	3.6
249.12799	8.8
249.16351	11.2
250.13625	3.1
251.14287	7.1
251.17970	10.0
253.16032	5.1
253.19537	3.1
255.11664	4.2
255.21095	3.7
256.12531	3.5
257.13135	3.2
258.14044	3.2
259.11130	4.4
259.14786	7.1
260.15527	4.8
261.12796	8.6
261.16388	9.8
263.14719	2.7
263.17905	7.9
265.15933	6.9
265.19470	6.1
271.17239	3.3
272.15527	5.6
273.13028	3.0
273.16431	7.5
275.14331	5.7
275.17920	10.5
277.15970	7.3
277.19485	8.2
279.17368	4.7
284.15698	2.9
285.16223	3.8
287.14392	5.0
287.17639	5.5
289.15924	6.1
289.19458	5.0
291.17426	7.8
291.20670	3.9
293.19080	5.0
293.22443	4.7
295.17099	6.1
299.17715	5.4
301.15881	3.4
301.19333	3.6
303.17566	4.9
303.21002	4.2
305.19183	5.5
315.21054	3.0
317.19061	5.5
317.22601	4.0
323.20065	3.9
329.18842	4.5
331.20416	4.2
347.20013	5.1
351.23071	3.3
359.20239	3.8
359.27124	3.6
365.24783	8.0
415.26385	3.5
417.27869	3.6
425.24722	3.4
443.25916	9.4
445.26981	8.0
453.27768	3.4
461.26816	9.1
463.28357	7.1
471.28973	3.9
489.29666	6.0
507.36295	3.7
511.35306	4.6
533.38495	3.0
573.24176	2.8
605.42041	5.4
619.44653	8.5
621.46338	3.0
629.43317	7.6
647.44403	26.1
648.44739	4.2
665.45441	20.6
666.46509	4.4
683.46027	7.5
701.44513	9.0
702.45129	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16567	1.4
51.37641	1.4
53.03945	3.3
53.66454	1.2
55.05509	13.8
57.07083	6.2
60.08167	8.0
65.03949	1.7
67.05509	23.8
69.03434	2.0
69.07070	16.5
71.07382	3.3
71.08627	2.2
77.03899	1.5
79.05491	17.0
81.03430	2.1
81.07059	29.3
83.04985	16.2
83.08620	7.3
86.09708	30.9
91.05483	32.3
91.06017	2.7
92.05809	1.8
93.07042	38.3
95.04974	5.9
95.08607	47.7
96.08929	2.7
97.06524	2.3
97.10182	2.4
98.98475	2.4
103.05489	2.3
104.10754	2.8
105.07032	38.3
106.07374	1.4
107.08592	35.4
109.06496	3.9
109.10162	22.9
111.04463	7.5
111.08087	6.0
113.06000	1.4
115.05390	2.0
117.07042	9.8
119.07777	1.3
119.08579	36.7
120.08897	2.5
121.06506	5.8
121.10152	19.4
123.08074	5.0
123.11704	9.3
125.00009	22.5
128.06226	4.1
129.07065	7.8
130.07799	2.3
131.08574	18.1
131.48451	1.3
133.08601	1.6
133.10130	37.8
134.10533	1.6
135.08060	4.9
135.11710	14.6
135.50484	1.4
137.13283	2.3
139.07527	3.8
141.07025	3.7
142.07808	4.6
143.08571	14.5
143.89392	1.4
145.10127	29.0
146.10558	2.1
147.08041	5.3
147.11685	32.9
147.12740	2.0
148.12071	2.0
149.09622	3.9
149.13280	4.9
153.07034	2.4
154.07785	1.7
155.08559	10.3
156.09363	5.9
157.10126	23.1
158.10803	1.6
159.08049	4.2
159.11710	16.0
161.09622	5.2
161.13289	9.0
163.11194	4.2
163.14799	3.8
165.07010	4.1
167.08614	3.6
169.10129	13.9
170.10829	1.9
171.08028	3.0
171.11687	12.1
172.08875	1.6
173.09641	6.1
173.13261	9.1
175.11206	4.7
175.14876	4.4
177.16382	7.4
179.08559	7.1
180.09312	4.0
181.10104	9.8
182.10864	2.8
183.11668	14.1
184.07344	100.0
184.12469	2.0
185.09615	4.2
185.13281	11.2
187.11186	4.2
187.14879	4.8
189.12801	4.3
189.16388	19.9
191.08626	1.9
191.17960	2.8
192.09390	3.6
193.10146	9.6
194.10892	2.5
195.08064	2.7
195.11707	14.0
197.09637	3.4
197.13301	11.8
198.14023	2.2
199.11234	6.8
199.14828	7.9
201.12753	3.9
201.16368	13.0
203.14455	1.5
203.17976	20.0
204.09349	1.9
204.18260	1.8
205.10120	3.3
206.10840	4.0
207.11671	12.0
208.12349	2.4
209.09546	1.9
209.13371	8.4
210.13821	2.2
211.11143	2.0
211.14828	6.0
213.12805	3.6
213.16525	2.0
215.14371	3.2
215.18024	4.2
217.10248	2.5
217.12251	3.0
219.11700	6.9
220.12418	3.2
221.09641	3.2
221.13197	9.4
222.14011	1.6
223.11235	2.7
223.14809	8.0
224.15361	1.9
225.12730	3.2
225.16396	4.3
227.12654	2.6
227.14560	2.1
227.17989	2.3
231.11740	3.9
231.13768	1.6
232.12477	4.6
233.13298	7.4
235.11177	2.6
235.14842	9.3
236.11806	1.9
237.12665	3.1
237.16393	4.0
239.14279	3.9
239.17923	2.3
243.11661	2.0
244.12531	2.2
245.13213	4.6
245.15453	2.5
246.13910	2.7
247.14803	5.8
249.12770	3.2
249.16415	6.8
251.14235	2.8
251.17969	2.8
253.15793	2.4
257.13214	3.1
257.15649	2.6
258.14096	1.9
259.14783	5.4
261.12845	3.1
261.16376	6.3
263.17996	3.7
265.16061	3.3
265.19440	2.4
270.13901	1.9
271.14819	3.9
273.16452	3.5
274.17209	1.8
275.14505	1.9
275.18008	3.1
277.16010	3.5
277.19379	3.7
279.14325	1.5
279.17575	2.0
279.20956	1.8
281.18991	2.1
283.15219	2.1
286.17059	2.2
287.14297	2.1
287.17923	2.6
289.15881	2.1
289.19287	2.7
291.17474	1.7
293.19064	2.3
295.17087	2.0
303.17355	3.5
303.21048	3.2
305.19009	2.2
313.27509	4.8
317.19089	2.5
321.18625	2.6
329.19263	2.0
333.22177	2.0
341.22662	2.0
343.20239	1.8
403.25766	1.7
417.27875	3.2
421.31082	1.9
425.24506	2.5
443.25723	11.1
445.27573	2.8
457.27542	2.2
461.26794	15.3
463.28342	6.2
479.28061	4.0
521.39197	1.7
525.36548	2.3
605.43408	4.5
619.44818	4.6
621.46863	7.0
629.43213	5.8
637.45746	1.9
640.81226	1.6
647.34186	2.7
647.44525	32.5
648.44519	5.6
665.45642	28.7
666.45691	5.3
683.46893	11.2
701.45911	1.8
702.46631	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17035	3.1
53.03952	10.5
55.05514	21.0
57.07080	9.6
65.03938	3.9
67.05505	56.1
69.03402	3.3
69.05452	27.7
69.05856	5.7
69.07061	29.4
79.05493	34.7
81.03407	5.0
81.07060	64.2
83.04989	13.9
83.08624	11.1
86.09712	16.3
91.05481	66.1
91.72385	3.2
93.07045	58.7
94.07339	3.8
95.04978	11.0
95.08611	87.8
98.22590	7.2
98.98548	3.4
105.07034	82.9
107.08599	70.1
109.06557	5.8
109.10155	51.1
111.04443	9.8
111.08096	10.3
115.05457	4.2
117.07037	15.7
119.08582	63.1
121.06528	9.2
121.10124	38.0
123.08078	13.0
123.11682	22.0
125.00012	8.7
126.73465	4.0
129.07016	14.3
131.08566	34.7
133.10138	71.2
135.08060	8.0
135.11710	21.7
139.07570	4.3
141.07030	5.4
141.09113	3.9
142.07785	9.8
143.08612	27.2
145.10129	51.5
147.08057	7.2
147.11685	85.1
148.11978	3.9
149.13255	11.7
153.06998	4.8
155.08516	21.9
156.09363	8.4
157.10139	42.9
159.08052	7.4
159.11681	36.6
161.09679	15.3
161.13290	24.1
163.11192	5.0
165.07051	6.9
167.08607	14.1
168.09457	4.6
169.10121	30.3
171.08084	4.0
171.11696	23.4
173.09653	12.4
173.13255	13.4
175.11174	9.9
175.14842	9.6
177.09294	3.5
177.16405	11.0
179.08711	8.3
180.09326	4.8
181.10110	20.8
183.11719	18.9
184.07349	54.4
185.09676	8.3
185.13286	10.9
187.11259	9.9
187.14850	8.4
188.41823	3.8
189.12764	6.0
189.16403	43.3
191.08553	3.9
191.17958	6.6
192.09337	4.8
193.10127	27.2
194.10841	5.7
195.11716	28.9
197.13260	16.2
199.11234	8.6
199.14879	10.8
201.12793	4.0
201.16432	21.0
203.17943	75.7
203.19878	4.8
204.09337	3.5
204.18323	4.5
205.10182	10.6
205.12175	5.0
206.10893	10.9
207.11720	35.2
207.13721	5.4
208.12341	8.3
209.13272	22.0
211.11099	5.3
211.14838	8.3
213.12724	6.7
213.16330	4.2
215.18015	9.9
217.10173	8.9
218.10774	6.0
219.11755	18.3
220.12399	4.6
221.13348	21.3
222.13881	3.8
223.11203	6.0
223.14885	14.4
225.12712	6.4
225.16399	7.7
227.10896	4.4
230.10947	5.1
231.11728	9.9
232.12526	7.7
233.13268	15.8
233.15324	4.2
234.13892	5.4
235.11171	4.6
235.14842	17.1
237.12831	11.0
237.16377	9.0
239.14290	6.9
239.17772	5.0
243.11707	4.0
244.12349	3.5
245.13239	9.3
246.13994	5.6
247.14845	15.1
248.15424	5.0
249.12787	10.3
249.16383	10.4
250.17035	4.1
251.14317	4.8
251.17981	4.6
253.19656	4.3
255.13861	5.1
258.13968	5.3
259.14874	8.8
260.15698	4.6
261.12897	4.4
261.16400	16.2
262.17050	4.2
263.14313	5.0
263.18079	7.9
265.12579	4.0
265.15942	6.0
267.13916	8.5
272.15823	4.3
273.16364	8.9
274.17349	4.2
275.17920	7.9
277.19565	7.2
279.17484	6.0
281.15479	5.6
287.17831	6.0
289.15924	5.0
289.19513	5.3
291.17496	4.3
293.15482	5.0
295.16833	4.8
301.19177	5.3
303.17447	6.7
303.20993	6.2
305.18988	8.7
305.22607	5.2
313.19299	5.3
315.20862	3.9
319.16788	4.4
321.18515	12.7
327.19601	15.4
345.20581	24.8
401.24472	4.9
403.26480	8.2
415.26083	8.4
417.27866	22.5
443.25635	30.0
444.26205	5.6
445.26730	6.1
455.13525	3.9
461.26855	100.0
462.27271	13.6
463.28241	37.3
463.33389	3.7
475.27988	5.4
479.27740	6.9
525.37299	6.5
605.43213	16.3
619.44580	5.3
621.46143	8.2
623.43658	4.3
629.43304	10.0
647.44495	39.5
648.44763	11.8
665.45605	97.7
666.46173	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11914	0.4
56.95359	0.4
69.18450	0.5
69.18772	3.9
85.02903	0.9
87.28190	0.4
95.04984	0.7
103.05489	0.9
105.03397	2.8
131.04924	0.9
137.05992	1.5
165.05597	0.6
179.08557	0.7
181.06416	0.6
182.07291	0.7
183.08113	0.9
184.05237	0.7
190.12657	1.4
191.08438	0.5
195.08047	0.7
197.06006	0.7
198.06485	0.6
199.07520	0.9
199.11214	0.4
205.06647	0.7
207.08015	1.3
209.06050	0.7
209.09610	0.8
210.06770	1.5
211.07570	2.0
211.11197	0.6
212.08359	0.8
213.05486	0.7
215.11815	0.5
219.08109	0.6
221.05859	0.6
222.06795	1.2
223.07599	1.6
224.08351	3.1
225.05487	0.8
225.09100	1.3
226.06259	1.1
227.06973	2.6
228.07663	0.6
232.08733	0.6
233.09677	1.1
234.06866	0.6
235.07498	4.0
236.08354	1.1
237.05411	1.4
237.09093	3.6
238.06253	0.9
239.07028	1.5
239.10757	2.0
240.07845	1.9
241.08630	2.6
242.05638	0.7
247.07445	1.1
249.09245	1.4
250.06256	1.0
250.09860	1.8
251.07076	2.2
251.10625	0.8
252.07797	3.0
253.04877	1.2
253.08598	2.1
254.05730	1.8
254.09460	1.6
255.06543	4.7
255.10056	1.0
257.08099	0.6
261.09171	1.1
262.10001	0.9
263.07086	2.7
263.10596	0.7
264.07852	1.6
265.05246	1.2
265.08603	5.0
265.11551	0.7
265.12253	0.6
266.09247	1.5
267.06595	2.5
267.10172	8.1
268.07281	3.3
268.10776	0.9
269.08133	4.4
269.11703	2.2
270.05295	1.1
270.08795	1.0
271.06018	1.6
275.06958	0.6
275.24899	0.6
277.08566	2.1
278.09351	4.0
279.06552	1.2
279.10123	1.6
280.07281	2.9
280.10513	0.6
281.05206	0.8
281.08154	3.4
281.11417	0.8
282.05511	1.0
282.08868	3.6
283.06052	3.5
283.09677	3.1
284.06726	2.1
284.10165	1.0
285.07504	4.9
285.10562	0.7
286.08258	0.9
287.09009	0.9
289.08646	1.0
291.10202	1.4
292.07285	0.5
292.10898	1.2
293.08133	2.3
293.11777	4.3
294.08783	1.7
295.06033	1.6
295.09665	8.9
296.07019	1.0
296.10327	2.7
297.07608	3.9
297.11246	6.3
298.04904	1.1
298.08350	14.5
298.11505	0.7
299.05539	0.9
299.09079	6.5
299.12674	1.4
300.06235	1.1
300.09903	0.6
301.07077	1.5
301.10669	1.9
305.08023	2.5
306.08798	2.0
307.09647	2.0
308.10486	0.7
309.07449	1.6
309.11298	2.2
310.08273	1.4
310.11694	0.7
311.05447	1.3
311.09140	4.1
312.06433	1.1
312.09924	3.5
313.07071	3.7
313.10706	9.5
314.07727	0.9
315.08511	3.0
319.09583	0.9
320.10410	1.8
321.07623	1.3
321.11154	7.8
322.08167	1.1
322.11713	1.2
323.09030	1.8
323.12857	1.4
325.10712	10.2
325.14273	0.7
326.07849	4.3
326.11499	3.7
327.08569	5.7
327.12292	12.2
328.09363	5.0
329.06671	0.8
329.10248	2.7
335.09210	0.8
336.10059	3.8
337.10681	5.4
338.11420	2.1
339.12207	1.7
341.10190	23.8
342.10962	6.8
343.11563	1.7
344.08768	2.3
351.12231	8.1
352.12924	3.0
353.09866	1.1
353.13843	5.8
354.10812	0.7
355.15326	0.5
357.13321	18.6
358.13602	0.9
359.11182	7.0
360.11725	0.6
368.12393	1.1
369.13336	9.3
370.13965	0.9
383.14899	15.4
384.15280	1.3
401.15939	100.0
402.16281	9.2
425.15982	0.6
545.19989	0.5
658.90881	0.6
702.27521	1.4
702.48584	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
53.81873	0.3
55.01870	0.8
57.03440	0.4
58.14453	0.3
61.02920	0.5
65.03938	0.7
67.05515	0.3
69.03421	1.6
71.29771	0.6
74.15291	0.4
79.05475	0.4
81.03413	0.9
81.07025	0.5
85.02905	4.4
91.05479	6.9
94.04175	0.7
95.04959	2.3
97.02890	1.0
103.05460	1.6
105.07030	1.1
107.04945	1.8
109.06528	1.5
111.04453	0.6
111.80521	0.4
115.05488	0.7
117.07026	0.8
119.04944	6.6
121.06493	1.9
122.03660	1.5
122.64394	0.3
125.06004	0.4
127.03896	0.5
128.06194	0.6
129.06998	4.5
130.07237	0.4
131.04909	2.4
131.08566	0.7
133.06465	1.1
135.04391	0.6
135.08034	2.1
136.05154	1.1
137.05974	32.1
138.06306	0.9
143.04950	0.6
144.08084	0.3
145.04944	1.0
145.06477	1.1
147.04416	0.9
147.08073	0.7
149.05983	5.0
151.03909	1.0
151.07539	38.7
152.07870	1.1
157.06487	4.6
159.08072	0.6
161.05989	5.3
161.09616	1.2
163.03879	0.7
163.07533	11.2
164.08012	0.5
165.05751	0.3
165.06981	2.0
165.09088	1.8
167.08546	4.0
174.06769	2.7
175.07562	3.2
177.09111	6.7
178.07753	1.2
179.08522	0.4
181.06528	0.6
189.09108	14.0
190.09436	0.8
193.06505	1.6
193.10138	2.2
194.07297	0.5
195.08049	7.7
195.09923	0.5
196.08771	0.5
197.05959	0.4
197.09628	0.4
201.09109	0.4
203.08655	0.5
203.10669	0.4
205.06459	0.6
206.07326	0.5
207.08205	0.5
207.10173	2.6
209.07837	0.3
209.09610	1.3
210.06744	0.8
210.10518	0.4
212.08313	1.3
213.09169	0.4
219.08112	0.6
219.10107	2.6
221.06102	2.9
221.09612	4.1
221.11774	1.4
222.06737	0.7
222.10272	0.4
223.07532	4.2
224.08319	1.0
225.09016	3.5
227.07152	0.6
227.10660	11.8
228.11024	0.7
237.09088	0.8
238.06271	0.9
238.09909	0.6
239.06996	0.9
239.10635	0.8
240.07790	1.3
241.08690	0.5
241.12099	0.8
249.09140	2.5
250.09727	0.4
252.07753	0.9
253.08586	5.3
253.12231	6.8
254.09164	0.5
255.07233	0.6
255.10146	12.5
256.10565	0.9
263.10645	0.4
265.08505	0.8
266.09451	0.6
267.10129	2.5
269.08041	1.0
269.11734	1.0
270.08850	0.7
272.10400	1.3
281.11722	2.8
282.12350	0.4
284.10513	0.7
285.11197	7.7
286.11707	0.7
287.12762	19.5
288.13126	1.0
298.12100	0.6
299.12805	1.2
301.14526	0.6
311.12619	1.0
313.14331	17.6
314.14636	1.1
325.14371	0.6
331.15381	100.0
332.15762	8.0
343.15317	4.5
503.13550	0.3
645.43579	0.4
691.28204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13288	0.4
52.88608	0.3
53.03941	0.7
55.05507	0.6
60.35576	0.3
61.02925	0.9
65.03949	0.4
69.03417	1.5
70.06583	0.6
79.05495	0.7
79.17244	0.4
81.03394	0.6
81.07005	0.4
85.02901	5.8
87.04444	0.4
90.19497	0.4
91.05474	4.7
93.07028	0.5
94.04202	0.7
95.04939	1.4
95.05476	0.4
97.02905	2.0
98.22569	0.8
100.11264	2.4
103.05462	7.9
105.07025	1.0
107.04950	1.5
109.02895	0.7
109.06514	0.4
111.04427	0.8
115.05465	1.3
117.07011	2.2
119.04954	3.7
121.06504	1.5
122.03635	2.0
123.08051	0.8
127.03899	0.9
128.06235	0.9
129.06996	2.3
131.04922	17.7
131.08589	0.5
133.06488	1.1
135.08034	1.6
136.05188	0.7
137.05974	33.7
138.06303	0.9
143.08531	1.0
145.04950	1.0
145.06459	1.2
146.03673	0.5
147.08026	0.7
149.05986	2.8
151.03931	0.8
151.07539	20.5
157.06483	2.2
159.08109	0.6
161.05960	5.4
161.09586	0.5
162.06770	1.9
163.07538	49.1
164.07870	1.7
165.06973	0.9
165.09131	1.1
167.08545	1.9
171.08046	1.4
174.06776	1.5
175.07541	4.8
177.09105	100.0
178.07919	0.6
178.09435	4.2
179.08562	0.6
182.15419	0.6
189.09106	5.5
193.06427	1.0
193.10081	1.1
194.07259	0.4
195.08046	4.4
195.10156	3.8
196.08662	0.4
197.09705	0.4
201.09048	0.4
203.10670	1.4
207.08223	0.7
207.10204	1.1
209.09688	0.4
209.16496	0.9
210.06714	0.5
210.14949	0.8
212.08302	0.4
216.70364	0.4
219.10143	1.6
221.05974	1.5
221.09666	2.2
221.11707	29.0
222.12030	1.2
223.07564	2.2
224.08234	0.8
225.09061	1.8
227.10658	6.1
228.10890	0.4
235.07487	0.6
237.08929	0.8
238.06198	0.6
238.10004	0.4
240.07928	0.7
249.09105	1.2
250.09741	0.4
252.07661	0.5
253.08527	2.4
253.12166	2.6
255.10156	5.5
261.09091	0.8
265.08542	1.2
267.10202	1.6
269.08078	1.4
269.11639	0.4
272.10333	0.5
281.11636	1.0
284.10437	0.6
285.11240	3.8
286.11682	0.4
287.09775	0.6
287.12787	8.8
293.11652	1.3
297.11304	1.1
299.12741	1.8
311.12790	2.5
313.14346	7.4
314.14783	0.5
323.12814	0.3
325.14417	0.6
331.15378	46.3
332.15671	3.9
336.47214	0.4
343.15424	9.3
344.15729	0.9
345.16846	0.7
357.14355	0.4
435.33167	0.6
453.34262	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
53.81873	0.3
55.01870	0.8
57.03440	0.4
58.14453	0.3
61.02920	0.5
65.03938	0.7
67.05515	0.3
69.03421	1.6
71.29771	0.6
74.15291	0.4
79.05475	0.4
81.03413	0.9
81.07025	0.5
85.02905	4.4
91.05479	6.9
94.04175	0.7
95.04959	2.3
97.02890	1.0
103.05460	1.6
105.07030	1.1
107.04945	1.8
109.06528	1.5
111.04453	0.6
111.80521	0.4
115.05488	0.7
117.07026	0.8
119.04944	6.6
121.06493	1.9
122.03660	1.5
122.64394	0.3
125.06004	0.4
127.03896	0.5
128.06194	0.6
129.06998	4.5
130.07237	0.4
131.04909	2.4
131.08566	0.7
133.06465	1.1
135.04391	0.6
135.08034	2.1
136.05154	1.1
137.05974	32.1
138.06306	0.9
143.04950	0.6
144.08084	0.3
145.04944	1.0
145.06477	1.1
147.04416	0.9
147.08073	0.7
149.05983	5.0
151.03909	1.0
151.07539	38.7
152.07870	1.1
157.06487	4.6
159.08072	0.6
161.05989	5.3
161.09616	1.2
163.03879	0.7
163.07533	11.2
164.08012	0.5
165.05751	0.3
165.06981	2.0
165.09088	1.8
167.08546	4.0
174.06769	2.7
175.07562	3.2
177.09111	6.7
178.07753	1.2
179.08522	0.4
181.06528	0.6
189.09108	14.0
190.09436	0.8
193.06505	1.6
193.10138	2.2
194.07297	0.5
195.08049	7.7
195.09923	0.5
196.08771	0.5
197.05959	0.4
197.09628	0.4
201.09109	0.4
203.08655	0.5
203.10669	0.4
205.06459	0.6
206.07326	0.5
207.08205	0.5
207.10173	2.6
209.07837	0.3
209.09610	1.3
210.06744	0.8
210.10518	0.4
212.08313	1.3
213.09169	0.4
219.08112	0.6
219.10107	2.6
221.06102	2.9
221.09612	4.1
221.11774	1.4
222.06737	0.7
222.10272	0.4
223.07532	4.2
224.08319	1.0
225.09016	3.5
227.07152	0.6
227.10660	11.8
228.11024	0.7
237.09088	0.8
238.06271	0.9
238.09909	0.6
239.06996	0.9
239.10635	0.8
240.07790	1.3
241.08690	0.5
241.12099	0.8
249.09140	2.5
250.09727	0.4
252.07753	0.9
253.08586	5.3
253.12231	6.8
254.09164	0.5
255.07233	0.6
255.10146	12.5
256.10565	0.9
263.10645	0.4
265.08505	0.8
266.09451	0.6
267.10129	2.5
269.08041	1.0
269.11734	1.0
270.08850	0.7
272.10400	1.3
281.11722	2.8
282.12350	0.4
284.10513	0.7
285.11197	7.7
286.11707	0.7
287.12762	19.5
288.13126	1.0
298.12100	0.6
299.12805	1.2
301.14526	0.6
311.12619	1.0
313.14331	17.6
314.14636	1.1
325.14371	0.6
331.15381	100.0
332.15762	8.0
343.15317	4.5
503.13550	0.3
645.43579	0.4
691.28204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.05514	38.8
55.14418	2.3
56.05869	2.2
57.03424	4.1
57.45996	2.1
58.29076	2.3
67.05497	9.9
69.03419	2.7
69.07076	3.0
69.20966	2.8
69.25651	15.0
79.05471	11.9
81.03413	11.7
81.07049	20.7
83.04983	43.3
83.08638	3.2
85.02888	4.0
91.05480	12.6
93.07048	10.6
95.04951	10.9
95.08605	9.9
100.43792	2.5
105.07034	9.8
105.49655	2.4
107.08591	6.1
109.06526	11.6
114.60536	2.3
117.07045	2.4
119.08547	5.3
121.10154	3.0
123.08076	9.6
129.06993	5.6
131.08589	3.5
133.06471	2.6
133.10155	3.1
137.05952	17.3
143.08554	5.3
145.06473	10.9
147.08060	4.7
151.07521	4.7
155.08557	4.3
157.06532	3.4
158.07349	2.1
159.08061	3.6
167.08559	3.7
169.08629	3.4
169.10040	3.0
171.08044	10.6
175.07722	2.3
179.08527	2.9
180.21791	2.4
181.10056	3.1
183.08063	4.9
185.09622	2.8
187.07550	3.8
192.09702	2.4
193.10118	3.7
193.12222	3.2
195.07977	3.1
195.11668	3.4
199.07521	3.9
203.08609	2.6
205.10184	5.9
207.11671	2.6
209.09656	3.5
211.11247	2.8
216.09349	3.7
221.09666	5.4
223.11174	3.9
232.08710	2.6
233.09697	4.9
235.11238	7.4
237.09210	3.9
237.12750	2.7
237.78961	2.2
239.10614	3.3
245.09689	4.0
247.11185	3.2
249.12691	4.6
253.12158	2.4
260.11874	2.8
261.12787	3.9
263.10657	5.6
263.14313	4.1
275.14371	5.4
277.12210	3.6
279.13821	5.2
281.11691	6.5
285.12747	3.6
295.12958	2.7
303.13800	5.3
305.11691	3.3
307.13400	3.8
321.14700	5.9
323.12848	2.8
335.16891	2.6
341.13617	3.7
345.14896	5.7
353.17422	2.9
359.16373	3.0
363.15912	3.6
373.18060	6.6
377.17731	2.8
381.17044	12.5
391.18973	10.0
399.19281	2.8
401.17383	31.4
402.17975	3.4
403.15530	2.8
403.63211	2.3
409.19806	4.7
417.20526	6.5
419.18503	100.0
420.18793	6.6
433.19763	2.9
435.21619	8.9
437.19592	43.2
438.19971	5.6
443.18311	11.5
451.21426	4.1
455.21024	4.2
461.19589	37.1
461.28824	6.8
462.19940	4.1
479.20621	54.1
480.21030	4.6
497.21646	18.5
521.21606	4.3
539.22919	3.9
543.36493	7.8
561.24811	4.2
561.37842	6.9
579.25635	7.9
597.27570	5.1
702.34729	14.8
703.34491	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.05514	38.8
55.14418	2.3
56.05869	2.2
57.03424	4.1
57.45996	2.1
58.29076	2.3
67.05497	9.9
69.03419	2.7
69.07076	3.0
69.20966	2.8
69.25651	15.0
79.05471	11.9
81.03413	11.7
81.07049	20.7
83.04983	43.3
83.08638	3.2
85.02888	4.0
91.05480	12.6
93.07048	10.6
95.04951	10.9
95.08605	9.9
100.43792	2.5
105.07034	9.8
105.49655	2.4
107.08591	6.1
109.06526	11.6
114.60536	2.3
117.07045	2.4
119.08547	5.3
121.10154	3.0
123.08076	9.6
129.06993	5.6
131.08589	3.5
133.06471	2.6
133.10155	3.1
137.05952	17.3
143.08554	5.3
145.06473	10.9
147.08060	4.7
151.07521	4.7
155.08557	4.3
157.06532	3.4
158.07349	2.1
159.08061	3.6
167.08559	3.7
169.08629	3.4
169.10040	3.0
171.08044	10.6
175.07722	2.3
179.08527	2.9
180.21791	2.4
181.10056	3.1
183.08063	4.9
185.09622	2.8
187.07550	3.8
192.09702	2.4
193.10118	3.7
193.12222	3.2
195.07977	3.1
195.11668	3.4
199.07521	3.9
203.08609	2.6
205.10184	5.9
207.11671	2.6
209.09656	3.5
211.11247	2.8
216.09349	3.7
221.09666	5.4
223.11174	3.9
232.08710	2.6
233.09697	4.9
235.11238	7.4
237.09210	3.9
237.12750	2.7
237.78961	2.2
239.10614	3.3
245.09689	4.0
247.11185	3.2
249.12691	4.6
253.12158	2.4
260.11874	2.8
261.12787	3.9
263.10657	5.6
263.14313	4.1
275.14371	5.4
277.12210	3.6
279.13821	5.2
281.11691	6.5
285.12747	3.6
295.12958	2.7
303.13800	5.3
305.11691	3.3
307.13400	3.8
321.14700	5.9
323.12848	2.8
335.16891	2.6
341.13617	3.7
345.14896	5.7
353.17422	2.9
359.16373	3.0
363.15912	3.6
373.18060	6.6
377.17731	2.8
381.17044	12.5
391.18973	10.0
399.19281	2.8
401.17383	31.4
402.17975	3.4
403.15530	2.8
403.63211	2.3
409.19806	4.7
417.20526	6.5
419.18503	100.0
420.18793	6.6
433.19763	2.9
435.21619	8.9
437.19592	43.2
438.19971	5.6
443.18311	11.5
451.21426	4.1
455.21024	4.2
461.19589	37.1
461.28824	6.8
462.19940	4.1
479.20621	54.1
480.21030	4.6
497.21646	18.5
521.21606	4.3
539.22919	3.9
543.36493	7.8
561.24811	4.2
561.37842	6.9
579.25635	7.9
597.27570	5.1
702.34729	14.8
703.34491	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61439	0.9
55.05512	2.7
62.92678	1.0
65.03958	1.0
66.45815	0.9
67.05507	2.5
69.07065	13.8
69.64161	0.8
79.05481	3.4
81.07058	4.9
86.09692	1.6
91.05482	30.0
93.07053	5.9
95.08598	4.2
96.48461	0.9
105.07036	7.0
107.08587	4.2
109.10176	4.6
115.05459	1.1
117.07028	6.7
119.08590	3.1
121.10149	2.2
128.06230	1.6
129.06998	5.2
131.04915	1.1
131.08595	3.3
133.10228	0.9
135.11711	3.2
141.06987	5.7
143.08554	8.5
145.10155	1.1
147.11685	3.7
154.07755	1.0
155.08569	2.9
157.10126	4.4
169.10149	3.8
171.11697	1.6
178.07788	1.1
183.11714	3.7
184.07384	3.2
197.13217	1.0
211.07468	1.5
227.07141	1.2
229.08577	0.9
239.07030	1.1
239.17960	13.2
240.07814	1.3
240.18196	1.4
241.08734	1.3
242.09410	1.1
243.06544	1.5
249.09056	1.3
251.10687	1.1
253.08530	1.8
255.06490	2.5
255.10193	1.3
257.08157	3.1
258.08820	1.2
259.06064	1.2
263.10684	1.3
264.11316	1.1
267.06638	2.1
267.10138	1.0
268.07013	1.0
269.08066	2.8
270.08902	1.3
271.06018	1.6
277.12305	1.1
279.10107	3.5
280.10907	2.1
281.08194	2.1
282.08911	3.9
284.10159	1.6
285.07535	2.5
285.10916	1.5
286.08447	3.0
287.09180	2.2
291.10172	2.7
292.11011	2.4
293.11633	2.6
295.10278	1.2
295.13229	6.4
296.10641	4.6
296.13596	1.4
297.07620	1.7
298.08414	3.5
299.09134	3.7
299.12543	1.5
300.09753	1.2
301.07251	1.6
301.10703	3.8
302.07828	2.5
303.08768	2.9
306.12463	3.1
307.09875	2.3
307.13287	2.6
308.10358	2.7
309.11169	2.8
309.14850	5.3
310.15701	1.6
311.12640	1.6
311.16144	1.1
312.09912	3.2
313.10583	8.0
314.11496	3.6
315.08618	2.6
315.12106	1.3
317.10147	7.2
318.10809	9.2
322.12018	2.7
323.12781	11.9
324.13553	2.4
325.10828	2.3
326.14978	1.2
327.12241	7.0
327.15781	2.0
328.13239	4.8
330.11084	2.3
331.11777	3.5
332.12540	11.7
333.13254	3.3
337.14340	18.0
338.15045	8.4
339.12225	4.7
339.15903	4.2
340.12997	2.8
341.17538	5.0
345.13162	6.1
354.14725	2.2
355.15356	11.1
359.14786	4.6
369.16937	21.8
369.21399	1.6
370.17685	21.7
371.14575	2.1
386.17145	3.6
391.77863	1.1
401.19583	100.0
402.19971	8.9
442.57458	1.0
521.52502	1.1
609.53699	1.1
667.36102	9.5
702.46436	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.8
55.05518	3.8
57.07056	1.4
58.68061	1.5
67.05505	4.1
69.07061	6.1
70.19118	5.7
79.05489	4.1
81.07059	7.6
83.04984	2.8
86.09701	5.0
91.04947	2.4
91.05479	20.1
93.07040	12.8
95.08615	4.5
103.05455	3.5
104.82931	1.3
105.07021	8.4
107.08591	5.6
109.10157	4.5
111.08102	1.4
115.05490	2.2
117.07020	8.3
119.08613	4.2
121.10134	5.7
124.99969	3.5
128.06221	2.2
129.06996	6.3
131.04927	9.5
131.08566	3.1
133.10172	3.0
135.11710	6.2
141.06993	7.7
142.18411	1.3
143.08536	6.2
143.97929	1.3
145.10118	3.6
147.11694	2.1
153.07001	1.7
155.08514	8.1
157.06525	3.5
157.10126	5.4
159.11752	2.0
169.10117	8.6
171.11746	1.8
176.09561	1.4
179.25636	1.4
183.11670	7.7
184.07339	16.6
193.10298	2.0
197.13280	1.8
219.10176	1.6
227.07111	2.8
235.11174	1.7
239.17987	5.6
240.07809	1.8
243.06544	2.0
251.10556	1.9
255.06570	3.3
256.07196	1.5
257.08066	3.7
264.11530	2.7
265.08353	1.8
267.06555	4.3
267.09851	1.6
269.08109	3.4
270.08817	1.7
271.09497	2.0
272.10776	1.6
277.12091	1.6
279.10257	4.7
279.13669	2.4
280.10834	2.0
281.08038	3.3
282.08865	5.5
283.05942	1.7
284.10486	2.3
285.07574	2.1
285.11108	2.2
286.08344	3.1
287.09280	2.2
291.10138	3.5
292.10687	3.2
293.08502	1.8
293.11722	4.1
294.12555	3.3
295.10120	2.3
295.13306	8.6
296.10455	5.5
297.07724	2.6
297.11154	2.4
298.08264	2.6
299.09192	4.4
299.12396	1.6
301.10675	3.7
302.08020	3.5
303.08554	3.1
306.12488	3.5
307.09680	3.2
307.13275	5.2
308.10352	1.8
308.13770	1.6
309.11072	3.6
309.14877	6.2
310.15671	3.2
311.12766	2.6
312.09927	3.5
313.10706	6.1
314.11398	4.1
315.08600	1.5
316.09448	1.9
317.10162	9.1
318.11005	12.9
321.11090	1.9
322.12006	3.6
323.12738	16.7
324.13525	2.4
327.12149	7.1
328.12936	5.3
330.11151	2.1
331.11902	3.3
332.12485	12.5
333.13449	2.1
337.14380	18.5
338.15182	10.8
339.12137	4.7
339.15659	3.0
340.12955	2.0
341.13815	1.8
341.17490	5.3
345.13354	5.4
354.14645	2.0
355.15314	14.2
359.14920	6.2
369.16953	24.5
370.17697	26.7
371.14551	3.3
386.17236	3.9
401.19568	100.0
402.20026	7.8
427.17786	2.4
455.20477	2.2
482.77689	1.8
510.26044	1.6
667.35748	5.1
702.45905	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39449	1.0
53.03943	4.7
55.01869	5.5
55.05511	48.9
55.12006	1.0
57.03442	14.0
57.07066	2.1
59.70443	1.2
61.02930	3.8
64.20888	1.1
65.03956	1.6
67.05507	58.7
69.03426	7.8
69.07069	14.3
71.05003	1.9
71.30426	1.9
73.02917	1.5
74.09733	1.8
79.05495	35.4
79.05964	1.7
81.03414	5.5
81.07061	52.3
82.07381	1.1
83.04998	5.5
83.08620	34.9
85.02912	2.6
85.06555	3.0
86.09711	6.1
91.03972	1.2
91.05480	15.3
93.07050	35.4
95.04983	3.1
95.08610	29.6
96.08939	1.7
97.02895	2.6
97.06553	2.5
97.10173	71.3
98.10519	1.7
99.04459	1.1
99.08141	1.4
101.09677	1.6
101.87061	1.2
105.07019	9.1
107.08591	37.2
108.08955	1.6
109.10159	18.0
111.04433	1.2
111.08088	3.2
117.07034	4.9
119.08596	7.8
121.10139	15.0
123.11720	5.3
125.00033	5.3
125.09632	66.6
126.09979	2.2
131.08542	8.2
133.10123	5.7
135.08073	7.3
135.11708	10.5
137.13268	1.8
143.10689	2.6
145.10126	6.2
147.11702	4.6
148.11882	1.5
149.13272	5.3
153.09087	5.6
157.10057	1.4
159.11711	4.1
161.13289	4.3
163.14844	4.1
171.10194	5.9
173.13310	4.6
175.14845	1.9
184.07350	20.6
185.13275	1.3
187.14839	3.3
189.11224	49.8
189.96275	1.2
190.11543	1.7
207.66646	1.1
219.03629	1.1
227.12787	70.9
228.13142	3.5
233.17101	1.2
243.21185	5.8
245.13850	100.0
246.14227	5.1
261.22134	25.5
262.22391	2.8
279.23282	2.4
317.24655	3.2
335.25812	64.1
336.26120	4.4
359.94232	1.2
395.29462	1.6
431.31613	1.6
487.33896	7.2
505.35220	34.2
506.35205	2.4
513.24603	1.5
523.36176	2.5
529.38934	13.1
530.39148	2.6
627.22919	1.6
652.24170	1.4
670.25714	3.0
702.28278	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
55.01874	4.7
55.05513	51.0
56.05842	1.8
57.03444	13.9
57.07082	3.1
61.02927	3.0
65.03941	2.8
67.05509	52.4
69.03403	7.2
69.07073	17.6
69.26067	5.5
69.26467	3.9
69.36102	1.3
71.04980	2.6
79.05498	41.1
81.03385	2.4
81.07061	49.9
83.04991	9.3
83.08624	34.4
85.02898	2.5
85.06561	1.8
86.09708	3.0
91.03995	1.8
91.05479	19.0
93.07049	39.4
95.04986	4.0
95.08610	32.7
97.02923	2.6
97.09537	3.5
97.10174	68.5
98.10508	2.6
98.23006	6.2
105.07040	13.1
107.08604	34.6
108.08950	2.2
109.06535	2.1
109.10157	18.1
117.07033	5.5
119.08574	11.8
121.10132	15.5
123.08077	1.5
123.11749	4.4
125.00018	2.1
125.09632	64.7
126.09977	3.3
131.08585	5.8
133.10126	6.3
135.08089	7.6
135.11696	10.0
137.13225	3.1
143.10728	3.1
145.10149	8.7
147.11732	5.3
149.13274	5.2
153.09126	3.9
159.11693	6.8
161.13228	5.8
163.14839	3.1
171.10117	3.2
173.13249	4.0
175.14803	2.0
177.16373	2.1
183.14113	1.6
184.07356	12.5
189.11235	45.0
190.11647	2.0
227.12784	74.9
228.13133	3.0
243.21114	6.7
245.13850	100.0
246.14165	4.6
261.22162	28.3
262.22510	1.8
279.23071	2.3
317.24792	5.5
333.24564	1.9
335.25803	94.5
336.26193	9.7
345.22937	1.7
487.34131	7.4
505.35153	63.5
506.35428	10.3
523.36188	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.47
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.1
56.05025	0.6
57.07061	0.2
58.06618	0.5
59.07387	0.2
60.08162	6.0
62.81936	0.1
63.07155	0.1
67.05498	0.3
68.83516	0.1
69.07056	0.2
69.23164	0.5
69.23572	0.2
70.06577	0.1
71.06979	0.2
71.07372	3.3
71.08633	0.1
79.05488	0.3
81.07048	0.3
85.77920	0.1
86.09700	27.8
87.10038	0.6
89.06035	0.1
91.05472	0.4
93.07047	0.3
95.08591	0.4
98.98460	3.1
98.99115	0.2
104.10735	2.7
105.07037	0.2
106.53827	0.1
107.08595	0.2
109.10138	0.3
117.07032	0.2
117.58331	0.1
119.08564	0.3
121.10160	0.2
124.99997	19.1
125.64597	0.1
126.00332	0.1
129.06976	0.2
131.08588	0.2
133.10100	0.2
135.11679	0.1
140.11250	0.1
141.07051	0.2
143.01064	0.3
143.08569	0.2
147.11665	0.2
155.08540	0.2
156.21873	0.1
167.08452	0.1
183.11726	0.2
184.07330	100.0
185.07701	1.7
239.18082	0.2
309.14499	0.1
313.10764	0.2
317.10391	0.1
318.10855	0.2
323.12756	0.3
327.12421	0.1
328.12872	0.1
332.12659	0.3
333.13055	0.1
337.14441	0.4
338.15094	0.2
341.17526	0.1
345.13391	0.2
355.15430	0.2
369.17056	0.5
370.17563	0.6
401.19562	1.8
402.19778	0.1
455.20563	0.1
462.27609	0.1
478.33017	0.1
519.40149	0.1
591.74017	0.1
660.49182	0.1
702.46973	5.1
703.47321	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96246	0.6
69.12559	3.8
69.12969	1.6
84.38467	0.6
98.23430	0.7
121.70736	0.8
144.08066	0.8
164.53516	0.6
166.18024	0.7
168.08011	0.8
169.41034	0.8
171.09094	0.6
172.07526	0.8
184.07198	0.8
185.04182	1.3
195.09029	2.0
196.09801	0.9
197.10713	1.6
203.05203	2.0
207.08998	1.3
208.09825	2.2
209.10687	7.5
210.11333	2.9
211.08606	1.9
211.12027	1.0
221.10640	3.0
222.11383	4.6
223.08566	1.7
223.12224	9.1
224.09390	1.8
224.13028	5.8
225.06535	1.6
225.10022	1.1
225.13858	4.7
226.14525	0.8
235.08601	1.2
235.12151	1.7
236.09363	0.8
236.13005	1.6
237.10320	3.7
237.13861	17.6
238.10893	0.8
238.14619	6.3
239.08205	4.5
239.15207	2.5
241.09657	0.8
250.10939	1.3
251.11728	2.2
252.12480	1.9
253.09598	1.3
253.13251	3.1
255.07576	0.8
255.11220	0.8
257.08975	0.8
259.07840	1.5
263.08130	1.5
265.13348	9.6
266.14026	3.1
267.07785	4.9
267.14746	0.8
269.09137	1.3
281.09143	2.8
281.12567	0.9
285.08774	0.8
297.12164	1.1
299.10153	3.0
309.08511	1.0
310.13010	1.2
313.11905	1.6
314.12799	0.7
317.20932	1.0
323.13815	1.4
325.15460	5.1
341.11292	9.6
347.09412	1.3
351.26889	0.7
365.10495	2.9
386.18326	1.0
391.15771	1.2
393.16934	0.9
401.21292	0.7
405.17218	1.2
406.18457	0.9
420.15747	0.7
421.20862	0.9
432.16196	0.9
434.17847	1.2
435.18405	1.8
436.18817	1.0
447.19159	0.8
448.18884	1.1
449.19653	2.7
450.20642	1.0
459.18329	1.0
460.17221	1.0
461.15912	1.3
463.21759	1.2
474.18735	1.1
475.17508	1.1
476.18350	1.1
477.19333	2.2
478.19925	0.9
491.20514	1.5
493.22525	0.9
503.20724	0.8
505.22665	1.1
507.20599	1.6
508.21231	1.1
509.21759	0.8
519.20270	1.1
522.23016	0.8
523.23492	3.7
524.23773	0.7
533.21503	1.9
534.22327	1.0
536.20477	1.2
538.24133	0.6
541.33453	17.0
542.34045	1.4
547.22583	0.8
550.22455	1.1
551.22772	5.4
552.22876	0.7
565.24152	4.1
566.25171	6.4
575.22272	1.1
593.23865	12.4
594.24310	1.1
603.22156	0.8
611.25024	5.2
621.23407	3.0
625.25629	4.0
635.24951	2.7
653.26019	100.0
654.26355	17.1
667.26984	0.9
685.28479	10.0
686.28796	1.8
703.38733	91.2
704.38934	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
55.05512	74.3
57.03440	2.2
57.07071	3.4
59.05001	3.1
59.71312	1.2
61.70789	1.2
65.03951	2.2
67.05502	18.5
69.03407	1.3
69.07076	8.9
71.08610	1.4
71.30158	2.3
71.49783	1.3
74.95272	1.4
75.04483	2.0
79.05502	11.8
81.03418	2.2
81.07056	30.5
82.07381	1.4
83.04982	93.6
83.08603	6.7
84.05287	1.5
86.09701	1.6
86.63683	1.2
87.04475	2.1
88.23947	1.2
91.05476	21.1
93.07036	19.1
93.77623	1.3
95.04984	3.0
95.08601	21.5
97.10163	8.2
98.10514	2.7
99.04482	3.2
104.06238	1.6
105.07027	56.7
106.07279	1.4
107.08589	24.7
109.10164	10.5
111.08131	1.6
115.03915	2.7
115.05473	3.6
117.07005	15.2
119.04930	7.9
119.08582	53.6
121.06469	3.1
121.10123	9.5
123.11736	2.0
125.09638	5.5
128.06203	2.9
129.06999	5.4
130.07796	6.2
131.08556	31.4
132.05701	17.1
132.09375	2.0
133.10126	21.2
135.11723	3.1
142.07733	3.3
143.08557	5.4
144.09361	4.7
145.06367	1.7
145.10117	74.6
146.10646	4.4
147.08067	9.8
147.11693	35.6
149.05928	1.3
155.08446	1.8
157.10120	7.7
159.08105	1.4
159.11691	55.6
160.12274	2.4
161.13261	41.2
162.13649	2.3
165.07036	2.8
165.92847	1.4
168.09377	1.5
171.11664	3.2
172.12364	2.1
173.09723	1.5
173.13269	8.2
175.07579	5.3
175.14893	2.5
177.05455	2.1
178.07701	1.7
179.08542	1.4
179.10651	8.7
181.06517	1.6
184.07355	4.9
187.14812	9.5
189.11230	4.6
190.11545	1.7
192.07748	1.7
196.08833	2.1
201.16382	100.0
202.17110	18.9
203.17949	46.9
207.08287	2.4
207.10149	55.8
208.10565	2.0
209.05881	1.5
209.09618	1.5
211.07533	2.0
211.11015	1.8
213.16423	1.8
219.17354	2.0
221.05893	2.0
221.09593	1.8
223.07515	3.4
224.08336	4.0
225.08981	3.9
225.11096	3.1
227.03357	2.0
227.07016	2.7
227.12680	6.8
229.04945	1.5
235.07558	3.7
236.08266	2.5
237.05566	2.2
237.09024	3.1
238.06294	2.1
239.03304	3.7
239.06960	2.8
239.10703	3.2
240.11557	1.3
241.08640	3.5
245.13820	8.4
246.14188	2.1
249.05397	1.6
249.09088	2.1
250.06154	2.8
251.07045	4.5
252.07733	3.6
253.05051	2.1
253.08630	5.8
254.05788	4.4
254.09116	1.6
255.06493	3.1
257.04330	2.2
261.21964	1.5
262.22583	1.6
263.07062	3.6
264.07764	2.0
265.05020	2.1
265.08618	6.3
266.05893	2.2
266.09085	2.7
267.06610	6.4
267.10196	3.9
268.07361	1.6
268.10916	2.4
269.04648	2.8
269.08084	4.7
270.05426	2.0
271.05893	1.9
275.09299	2.0
277.08643	1.7
279.06625	4.9
279.10098	1.7
280.07333	5.5
281.08163	8.4
282.05380	1.6
282.08841	2.2
283.06192	3.2
283.09653	4.3
284.06805	4.2
284.10214	2.3
285.07535	19.7
286.04782	1.9
287.05441	1.7
293.08051	5.9
294.08823	3.0
295.06097	3.3
295.09659	8.2
296.06815	3.0
297.07526	6.4
297.10846	2.7
298.08282	2.8
299.05344	3.4
299.09045	3.1
299.12708	3.5
301.07095	12.8
309.07587	7.1
309.11133	2.3
310.08289	4.4
310.23773	1.7
311.09106	22.7
312.06387	2.2
312.09854	4.5
313.07312	2.7
313.10693	4.5
314.08102	3.0
317.06641	1.5
319.09723	1.7
321.07498	2.7
322.08295	2.2
323.09143	4.4
324.09720	2.3
325.10684	8.4
327.08676	7.8
327.12347	11.3
328.09332	3.7
329.06491	2.1
329.10074	6.2
330.11075	1.7
335.09225	2.5
335.25742	4.6
336.26120	4.4
337.10767	2.0
341.10205	10.2
343.11816	5.2
351.08588	2.7
352.09521	2.7
353.10196	5.9
354.10800	1.9
355.11795	33.2
356.12350	3.1
357.13348	32.5
358.13596	2.5
365.10049	2.5
367.11847	5.4
371.10980	2.2
383.11218	35.9
383.15927	2.3
384.11691	4.1
385.12808	35.5
386.13336	2.6
401.12753	1.9
411.10324	2.5
453.15494	1.6
485.69846	1.4
487.33652	1.4
503.24432	1.6
505.34903	2.0
506.35333	2.3
530.39270	3.3
557.29083	4.0
585.28638	6.6
603.29272	4.9
685.33252	2.1
703.34454	3.8
703.45715	1.8
717.18756	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
54.62243	1.3
55.05513	49.3
56.05844	1.6
57.03426	3.6
57.06831	1.3
57.07078	13.5
59.04987	1.5
60.08170	7.9
62.64285	1.2
67.05503	15.6
69.03426	2.6
69.07066	9.4
71.04999	2.3
71.07377	3.1
71.08638	7.8
71.30224	2.5
75.04482	1.3
76.23295	1.4
79.05494	9.7
81.03419	10.2
81.07065	24.4
83.04982	62.5
83.08630	8.9
84.05325	1.4
85.02893	3.8
85.10184	4.9
86.09209	2.4
86.09706	36.4
87.10034	1.7
89.06034	6.8
91.05480	18.0
93.07040	17.3
95.04955	4.1
95.08610	20.1
96.08924	1.4
97.06528	2.8
97.10136	2.8
98.02473	1.4
98.98461	5.4
99.04446	3.6
104.10755	2.9
105.07030	34.7
107.04910	2.0
107.08595	17.0
109.06543	3.3
109.10152	11.5
111.08084	2.5
111.11643	1.4
115.03912	1.8
115.05443	3.6
117.07011	17.3
119.04939	4.1
119.08585	26.9
121.06522	4.0
121.10146	8.7
123.08041	2.2
123.11685	4.9
124.99995	24.8
127.03951	1.5
129.06975	5.0
130.07767	6.8
131.08575	19.7
132.05714	9.2
133.08614	4.3
133.10121	14.9
134.07339	1.7
135.08052	1.6
135.11710	4.5
137.02423	1.8
137.09663	1.5
142.07707	2.0
143.08553	5.9
144.09325	4.8
145.10123	78.3
147.08025	5.3
147.11691	17.1
157.10135	8.4
158.10876	2.5
159.11684	47.4
161.13255	11.9
163.11189	3.7
165.07011	2.0
169.10143	2.3
171.11707	3.6
173.09621	1.8
173.13307	8.5
177.11192	2.8
179.08606	1.8
179.10663	4.1
180.09306	2.1
181.10062	1.7
184.07347	100.0
185.06088	1.6
185.07660	5.8
185.13347	1.5
187.14819	2.6
189.16336	2.1
192.07700	1.7
193.12213	5.8
195.06506	2.5
195.08136	2.7
195.11555	1.5
196.08830	1.3
197.09552	1.7
201.16388	83.1
202.17091	6.5
203.16144	2.6
203.17946	27.9
207.08202	2.2
207.10124	21.3
207.11877	1.6
210.06845	1.6
211.07584	2.1
211.11401	1.9
211.13202	7.0
219.17441	29.2
223.07607	2.3
223.11153	1.9
224.08293	2.7
225.09140	2.5
225.11108	2.0
227.03271	1.6
227.12589	1.6
228.07576	1.4
235.07393	2.9
237.05487	2.5
237.09106	1.8
239.03354	2.4
239.07118	2.1
239.10703	2.1
241.04913	1.8
241.08652	2.2
245.13869	1.4
251.07031	3.6
252.07736	2.8
253.08492	3.5
254.05734	4.4
255.06560	3.2
263.06992	2.2
265.08575	4.1
267.06555	4.9
267.10126	5.1
267.15891	1.8
269.04440	1.8
269.08078	3.8
277.08536	1.7
280.07324	4.0
281.08075	6.7
281.11194	1.4
282.05276	1.6
282.08640	2.1
283.06168	3.2
283.09546	3.2
283.15320	2.8
283.35117	1.5
284.06763	1.8
284.15875	1.5
285.07574	17.0
285.16931	6.3
293.07928	2.9
294.08694	1.9
295.09692	4.3
297.07758	3.0
297.10968	2.4
297.24094	3.0
298.24551	2.0
299.05792	1.9
299.09225	1.9
299.12912	1.5
301.07053	6.0
309.07544	5.5
311.09207	16.2
312.06207	1.9
312.09695	2.5
313.07217	3.0
313.10724	5.3
313.27338	12.8
323.09082	3.9
325.06836	2.6
325.10672	3.4
327.08737	3.0
327.12207	8.9
329.10123	4.4
337.10675	2.2
339.08353	1.9
341.10129	8.9
343.11609	2.7
351.08725	1.8
352.09454	2.1
353.10068	4.8
355.11765	39.8
356.12033	1.7
357.13287	12.0
365.09897	1.5
367.11670	3.3
380.42786	1.5
383.11258	33.8
384.11581	3.6
385.12750	11.1
453.15173	2.5
483.16406	1.8
506.35254	2.5
523.39923	12.2
556.26752	1.8
557.28278	3.1
559.26892	2.2
585.28528	2.6
603.29346	4.0
685.44781	1.8
703.29468	2.7
703.48175	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.7
57.07057	1.9
58.63089	1.6
59.35809	1.4
67.05497	4.2
68.98831	6.3
68.99261	7.2
69.07083	1.8
71.08629	1.4
79.05512	2.2
81.07062	4.2
86.09705	3.1
86.66601	1.2
87.30293	1.2
89.06016	2.1
91.05476	2.6
93.07051	2.5
95.08635	2.8
98.69355	1.4
105.07041	3.7
105.47044	1.5
107.08614	1.9
109.10155	3.9
119.08585	3.5
121.10178	2.2
123.11670	1.4
124.99950	2.2
135.08139	1.6
145.10150	2.2
147.11688	2.5
149.13223	1.5
149.32275	1.4
159.11720	1.3
162.78722	1.3
184.07294	9.0
288.22141	1.3
398.05508	1.3
427.19641	1.6
441.20837	1.4
442.21713	2.1
447.24933	1.4
454.17709	1.5
455.18506	3.0
456.23376	2.0
459.21970	6.0
460.22488	1.6
469.19888	6.7
470.21008	2.8
483.21841	18.9
484.22446	13.2
485.23193	8.7
497.23633	1.6
498.23962	1.7
499.24899	2.0
527.24371	1.8
543.23450	2.3
547.27148	4.4
571.27124	5.8
606.28467	3.0
630.28333	14.9
631.28827	7.2
643.33167	3.9
645.30432	1.9
703.34857	100.0
704.35291	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01864	1.1
55.05501	0.5
57.48423	0.4
61.02927	1.3
67.05506	1.0
69.03434	2.5
69.07070	0.7
71.04966	0.5
71.30363	0.7
79.05497	1.1
81.03414	2.8
81.07052	1.3
83.01353	0.5
85.02901	7.0
91.05482	1.1
93.07059	1.0
95.04958	0.9
95.08589	1.0
97.02890	1.8
99.04481	0.5
105.03379	2.6
107.08591	0.8
109.02873	1.0
119.08584	0.6
121.10134	0.5
125.39777	0.5
127.03910	1.0
135.11743	0.6
137.05962	0.8
145.04942	0.7
162.05498	0.5
163.11177	1.3
181.06502	0.5
191.08420	0.8
195.07982	0.8
197.05963	0.6
199.07372	0.6
208.08914	0.8
209.09657	1.0
211.07573	0.7
212.08157	0.5
214.06253	1.2
218.07233	0.6
220.08852	0.7
223.07547	1.1
224.08311	2.0
225.09177	1.4
226.06160	0.7
226.09953	0.6
227.07071	1.5
227.12794	1.0
229.08661	0.7
233.09567	1.1
234.06812	0.8
235.07587	2.0
236.08286	1.4
237.05435	0.6
237.09094	2.9
238.06374	0.6
238.09766	1.0
239.07079	1.2
239.10672	1.9
240.07809	1.4
241.08601	1.9
242.05768	0.8
243.06471	0.6
247.07587	1.1
248.08440	0.6
249.05519	0.5
249.09189	1.6
250.06448	1.2
250.09868	1.8
251.07019	1.7
251.10449	0.7
252.07791	3.5
253.04843	1.0
253.08536	2.7
254.05714	0.8
254.09286	1.3
255.06575	1.3
255.10248	1.8
256.07306	1.3
256.11047	0.6
257.08127	6.4
258.08426	0.6
260.08353	0.9
261.09076	1.9
262.09854	0.6
263.07071	3.1
263.10498	0.7
264.07809	1.7
264.11499	0.6
265.05710	0.5
265.08606	3.5
265.12131	1.0
266.09351	1.6
267.06537	2.4
267.10178	5.3
267.16003	1.5
268.07245	1.5
268.10648	1.1
269.08133	2.0
269.11743	1.4
270.05515	0.8
270.08838	1.3
271.06006	1.0
271.09625	1.3
272.06866	0.9
277.08511	2.6
278.09335	5.8
279.07324	0.5
279.10147	3.3
280.07236	2.5
281.08057	4.2
281.11423	0.7
282.05704	0.8
282.08853	2.7
283.06128	0.8
283.09448	1.3
283.15454	1.3
284.10480	1.5
285.07581	16.7
285.10815	1.1
286.08151	2.6
287.05920	0.5
287.08905	2.5
289.08652	1.4
290.09387	1.0
291.06473	0.8
291.10028	0.5
292.07285	0.5
292.10812	0.9
293.08249	0.6
293.11667	6.6
294.12219	0.9
295.06357	0.6
295.09610	8.7
296.10342	2.1
297.07559	3.6
297.11230	5.0
298.08286	0.9
298.11530	0.6
299.05838	0.6
299.09143	1.9
299.12704	1.2
300.09915	18.6
301.07364	0.9
301.10529	3.8
302.07840	1.2
305.08127	0.9
306.08868	2.5
307.09650	5.8
308.06836	0.9
310.08536	0.7
310.11835	0.9
311.09161	1.8
311.12558	0.8
312.09875	2.3
313.07034	6.2
313.10651	1.9
314.07657	0.8
314.11374	2.3
315.08673	1.8
315.12195	19.8
316.09351	1.1
316.12653	1.2
317.10318	1.4
319.11829	0.5
321.11194	16.0
322.11862	3.8
323.09177	5.8
323.12741	0.8
324.09772	1.4
325.10815	0.8
325.14407	1.8
327.12234	6.2
328.09354	6.5
328.12842	1.2
329.10080	2.9
329.13843	3.7
330.10922	1.9
331.07999	0.6
331.11783	1.2
338.11493	5.6
339.12222	5.9
340.12997	0.9
343.11758	39.9
344.12256	5.0
345.13324	1.5
353.13812	14.3
353.17984	0.9
354.14502	3.5
355.11517	2.4
357.16830	0.8
359.14862	6.0
361.12903	1.9
370.14130	1.1
371.14902	3.1
372.15649	0.6
385.16434	31.5
386.16837	2.8
403.17493	100.0
404.17810	10.5
475.26984	1.3
576.85760	0.5
609.37903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	11.5
55.01862	15.0
55.05522	30.1
57.03433	14.3
57.07070	2.3
59.05001	3.3
61.02922	3.0
65.03946	4.7
65.26929	2.2
67.05505	73.6
69.03424	7.9
69.07072	18.6
69.10120	21.3
69.10455	4.2
71.04984	2.7
71.87644	2.3
73.02919	6.1
79.05494	99.4
81.03421	26.8
81.07058	54.8
82.04208	4.7
83.04985	27.2
83.08607	13.3
85.02901	5.1
85.06556	3.3
86.09698	6.0
91.05484	69.7
93.07046	91.3
94.07380	2.5
95.04966	37.6
95.08607	36.2
96.41309	2.4
97.02877	5.8
97.06523	8.3
97.10172	13.4
98.07311	3.0
100.33429	2.7
100.88103	3.1
105.04518	2.6
105.07030	48.2
107.04977	16.1
107.08595	32.0
107.35853	2.6
108.05752	3.0
109.06516	9.8
109.10148	13.8
110.32340	2.2
111.04475	3.6
111.08115	4.0
116.04694	9.4
117.07034	14.2
119.08575	38.4
121.06510	9.3
121.10134	9.8
123.04395	2.7
123.08074	10.6
125.00027	4.2
125.09624	15.4
127.11169	2.5
129.01830	2.8
129.05484	24.3
129.06989	21.7
131.08569	9.6
133.10123	16.6
135.08060	4.4
135.11690	9.6
143.07021	6.2
143.08563	11.3
145.10098	15.3
147.08011	2.9
147.11693	55.4
148.11908	2.7
156.59816	2.8
157.08577	10.4
157.10106	4.5
157.49637	3.2
159.11755	3.3
161.09547	6.2
161.13263	13.5
163.11191	11.1
171.10284	4.2
171.11688	36.0
173.11749	3.4
177.12679	3.3
181.12259	4.8
184.07312	18.7
189.11272	3.1
189.12793	9.2
191.10672	4.3
193.12234	4.8
199.13284	7.1
207.13812	32.1
209.11763	5.9
227.12744	10.5
229.14584	2.7
267.15945	6.1
281.17468	78.3
282.17758	4.6
283.15369	9.4
301.16452	47.7
380.81183	2.6
405.26385	3.8
422.86316	3.0
435.27341	11.4
473.28918	7.0
489.28467	12.0
490.29251	9.7
507.29529	100.0
508.29724	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
54.82119	0.5
55.05496	0.9
57.03424	0.4
64.18750	0.4
67.05505	3.3
69.03432	0.5
69.06822	3.8
79.05521	1.2
79.98318	0.5
81.03380	0.6
81.07043	2.6
82.04048	0.4
83.04963	0.9
85.02876	0.8
85.06565	0.6
91.05471	1.5
93.07037	1.6
95.04939	0.7
95.08599	5.2
99.04414	0.7
103.05455	1.3
105.07019	2.0
106.04161	0.5
107.04950	0.8
107.08587	1.4
109.10156	4.3
111.08066	0.5
113.05982	0.7
117.06985	0.7
119.04960	0.6
119.08575	2.6
121.06503	1.0
121.10117	0.9
121.72571	0.5
122.07301	0.7
123.04470	1.3
123.08055	2.0
123.11697	1.5
124.60297	0.4
125.09583	0.7
129.09160	0.5
131.04865	0.7
133.06482	1.2
135.08049	0.6
135.11665	0.6
137.05998	3.9
137.09608	9.3
141.09114	1.5
145.06380	0.6
145.10156	0.9
147.04430	0.6
149.05957	1.7
149.09467	0.5
151.03900	1.5
151.07547	2.5
157.08607	0.6
157.10139	0.4
165.09114	100.0
166.09464	3.9
167.07072	0.8
169.08620	0.8
173.09613	1.3
177.05406	0.7
181.08488	0.6
187.09683	2.9
187.11070	0.5
189.09097	0.7
191.06877	0.6
193.08556	3.7
201.11284	0.6
203.05220	0.7
203.10741	0.6
205.12219	4.4
209.08043	3.6
223.13300	1.3
289.21445	0.9
303.08591	0.8
307.22894	0.6
317.21286	1.2
337.23663	5.6
338.23886	0.6
363.24976	1.2
381.26047	0.6
443.31583	1.7
471.31491	0.7
489.32004	6.9
490.32404	1.1
543.24103	0.8
543.31580	11.4
587.79950	0.5
704.36066	0.7
704.48279	1.5
705.36774	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
54.82119	0.5
55.05496	0.9
57.03424	0.4
64.18750	0.4
67.05505	3.3
69.03432	0.5
69.06822	3.8
79.05521	1.2
79.98318	0.5
81.03380	0.6
81.07043	2.6
82.04048	0.4
83.04963	0.9
85.02876	0.8
85.06565	0.6
91.05471	1.5
93.07037	1.6
95.04939	0.7
95.08599	5.2
99.04414	0.7
103.05455	1.3
105.07019	2.0
106.04161	0.5
107.04950	0.8
107.08587	1.4
109.10156	4.3
111.08066	0.5
113.05982	0.7
117.06985	0.7
119.04960	0.6
119.08575	2.6
121.06503	1.0
121.10117	0.9
121.72571	0.5
122.07301	0.7
123.04470	1.3
123.08055	2.0
123.11697	1.5
124.60297	0.4
125.09583	0.7
129.09160	0.5
131.04865	0.7
133.06482	1.2
135.08049	0.6
135.11665	0.6
137.05998	3.9
137.09608	9.3
141.09114	1.5
145.06380	0.6
145.10156	0.9
147.04430	0.6
149.05957	1.7
149.09467	0.5
151.03900	1.5
151.07547	2.5
157.08607	0.6
157.10139	0.4
165.09114	100.0
166.09464	3.9
167.07072	0.8
169.08620	0.8
173.09613	1.3
177.05406	0.7
181.08488	0.6
187.09683	2.9
187.11070	0.5
189.09097	0.7
191.06877	0.6
193.08556	3.7
201.11284	0.6
203.05220	0.7
203.10741	0.6
205.12219	4.4
209.08043	3.6
223.13300	1.3
289.21445	0.9
303.08591	0.8
307.22894	0.6
317.21286	1.2
337.23663	5.6
338.23886	0.6
363.24976	1.2
381.26047	0.6
443.31583	1.7
471.31491	0.7
489.32004	6.9
490.32404	1.1
543.24103	0.8
543.31580	11.4
587.79950	0.5
704.36066	0.7
704.48279	1.5
705.36774	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.4
56.05035	0.9
57.07072	0.2
58.06624	0.5
59.07391	0.2
60.08163	6.3
60.14104	0.1
67.05504	0.6
69.07063	0.2
69.59603	0.1
70.06589	0.1
71.04977	0.1
71.07373	3.4
71.08631	0.1
74.26064	0.1
79.05479	0.3
81.03428	0.1
81.07056	0.6
83.04974	0.2
83.08618	0.1
84.82233	0.1
85.96933	0.1
86.09705	31.7
87.10023	0.5
89.06024	0.1
91.05482	0.4
93.07048	0.3
93.07590	0.1
95.04954	0.1
95.08620	0.4
98.06052	0.1
98.22544	0.2
98.98464	3.4
102.71510	0.1
104.10744	2.4
105.03430	0.1
105.07028	0.2
107.08607	0.3
109.10154	0.3
119.08580	0.2
121.10166	0.2
123.08014	0.1
125.00002	21.0
126.00370	0.1
131.08560	0.2
133.08586	0.1
133.10146	0.2
135.11726	0.1
143.01056	0.2
145.10068	0.1
147.11621	0.1
159.11646	0.1
163.11288	0.1
173.13268	0.1
184.07339	100.0
185.07689	1.9
215.61441	0.1
228.80630	0.1
253.14313	0.2
256.99835	0.1
271.15503	0.1
313.10541	0.1
337.27396	0.1
448.63071	0.1
491.37442	0.1
496.33926	0.1
521.38483	0.1
704.45044	5.1
705.45465	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.2
56.05038	0.8
57.07080	0.4
58.06355	0.2
58.06622	0.4
59.07399	0.2
60.08163	6.9
67.05484	0.5
69.07050	0.2
69.15461	1.3
70.06572	0.2
71.06979	0.3
71.07373	4.2
71.08618	0.2
73.60047	0.1
74.57354	0.2
77.83680	0.2
79.05461	0.3
81.07049	0.5
86.09706	34.8
87.10038	0.7
89.06017	0.4
91.05471	0.3
93.07031	0.4
95.08595	0.4
98.98466	4.0
104.10742	3.2
105.03403	0.2
105.07002	0.3
107.08584	0.3
109.10115	0.2
125.00004	22.4
126.00411	0.2
133.08632	0.3
135.11699	0.3
143.01056	0.4
145.10161	0.3
163.11176	0.3
184.07341	100.0
185.07684	2.0
303.39795	0.2
323.43610	0.2
445.80310	0.2
448.20920	0.2
496.33887	0.5
686.29254	0.2
704.45001	11.0
705.33026	0.2
705.45032	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53954	0.5
62.40541	0.4
64.33705	0.5
64.89644	0.4
67.99942	0.4
70.81715	0.7
98.98493	0.4
108.61070	0.4
525.12207	0.7
543.13226	33.2
544.13831	2.0
705.18463	100.0
706.18872	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1847
Annotation	Diinsinin
Peak:m/z	Relative Intensity
53.75895	1.0
69.74323	6.0
78.52536	1.2
88.99171	1.2
101.67350	1.3
112.89584	1.9
114.89454	1.3
128.18243	1.1
174.80244	1.2
212.85059	1.5
220.95795	1.2
226.48396	1.5
242.27574	1.4
254.27536	1.1
477.03577	1.2
543.13220	36.3
544.13953	1.7
705.18457	100.0
706.18793	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4033
Annotation	Voacamidine
Peak:m/z	Relative Intensity
50.61369	0.5
55.05520	0.8
56.05035	0.7
57.07072	0.5
60.08165	3.3
65.14095	0.6
67.05508	1.1
69.29293	4.3
71.07034	0.6
71.07368	2.8
80.64006	0.7
81.07067	1.2
83.04990	1.2
86.09709	22.8
87.04485	1.2
89.06031	0.6
89.33247	0.6
91.05496	0.6
93.07054	0.6
95.05025	0.6
95.08618	0.8
98.22615	1.1
98.98496	2.1
104.10770	1.6
105.07035	1.2
119.08646	0.9
121.88735	0.5
123.58540	0.6
125.00011	12.3
125.00861	1.0
125.09654	0.7
137.05968	0.6
145.10176	0.6
154.39204	0.6
184.07347	61.8
185.04225	1.1
235.13402	0.7
284.29651	0.8
347.09644	1.4
489.65323	0.7
543.35040	24.7
544.35669	3.2
696.11383	0.7
705.40271	100.0
706.39880	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.3
53.27262	0.5
53.66268	0.5
55.01870	3.4
55.05513	16.1
57.03443	6.0
57.07078	1.8
59.01212	0.5
59.04992	1.2
61.02929	12.0
61.05759	0.5
65.03939	2.2
67.05504	28.3
68.05833	0.9
69.03426	10.6
69.07066	7.5
71.01357	1.1
71.04990	3.2
71.31161	0.7
73.02918	6.2
77.03946	1.3
79.05493	21.6
81.03416	17.7
81.07057	21.9
82.07401	0.8
83.01310	0.6
83.04984	6.9
83.08622	8.6
85.02903	11.9
85.06558	1.8
86.09715	0.6
87.04457	0.6
91.03951	5.6
91.05482	21.6
93.07039	19.9
93.07623	1.1
94.07371	0.6
95.04965	8.1
95.08609	12.5
96.23994	0.5
97.02885	11.9
97.06554	2.0
97.10159	7.8
99.04445	1.4
99.08100	0.9
101.02345	1.5
103.05449	1.0
105.03391	1.3
105.04527	0.7
105.07034	17.4
106.07269	0.6
107.04964	4.2
107.08599	13.3
108.08913	0.7
109.02855	2.9
109.06525	3.7
109.10164	8.3
111.04465	2.3
111.08106	3.5
115.03941	0.7
115.05447	2.4
117.07007	10.6
119.04984	0.8
119.08584	14.5
121.06477	3.4
121.10136	7.1
123.04468	1.0
123.08109	2.0
123.11713	2.4
125.09647	5.8
127.03908	3.1
127.07640	0.6
128.06221	3.6
129.05556	0.9
129.06989	9.1
130.07465	0.6
131.04921	0.9
131.08562	15.7
132.08926	0.7
133.06511	2.5
133.10117	9.8
133.11041	0.9
135.08084	2.6
135.11699	4.4
137.05956	0.7
137.09636	2.1
141.06984	3.6
142.07777	2.4
143.08578	9.6
145.06531	2.8
145.10107	12.2
147.08073	2.5
147.11671	6.9
149.09575	3.0
149.13307	1.2
151.07460	0.8
153.07021	1.3
153.09143	0.6
153.12717	1.1
154.07840	1.1
155.08548	6.1
156.09181	0.6
157.06548	1.9
157.10129	10.4
158.07336	0.5
159.08057	3.3
159.11708	8.1
161.09671	1.9
161.13295	3.2
163.11234	2.1
163.14806	0.8
165.07019	1.5
165.12801	1.1
167.08556	2.4
168.09471	1.1
169.10115	6.4
171.08084	2.3
171.11684	7.7
172.12300	0.6
173.04501	0.8
173.09601	3.3
173.11842	1.0
173.13199	5.7
175.11246	3.0
175.14777	1.0
177.12817	0.6
179.08588	1.6
181.10115	3.5
181.12289	1.2
183.08102	0.9
183.11703	5.9
184.07381	1.7
184.12265	0.6
185.09630	2.5
185.13268	5.5
187.11209	2.2
187.14836	1.4
189.11252	2.5
189.12788	1.1
191.08223	0.7
191.10608	1.2
193.10214	1.6
193.12282	5.0
195.11676	3.2
197.09706	0.9
197.13307	4.1
199.11201	2.0
199.14859	3.6
201.12804	1.3
201.16420	1.0
205.10255	0.8
207.11642	1.4
209.13275	3.1
211.11363	1.1
211.13315	4.9
211.14931	1.8
212.13678	0.7
213.12744	1.8
213.16411	1.1
214.77454	0.6
215.14433	1.4
221.13235	1.5
223.14883	1.8
225.12904	0.8
225.16405	1.2
227.10867	0.7
227.12837	2.5
227.17999	1.0
229.14229	1.0
233.15602	0.7
235.14966	0.8
237.16566	1.1
239.14268	0.9
241.15903	1.1
241.19548	2.0
247.17085	0.9
257.19141	0.7
259.17477	0.6
259.17981	0.7
259.20535	4.3
265.19608	0.7
267.15979	2.4
267.20938	0.7
271.20474	0.8
283.15204	0.7
283.20685	1.6
285.17096	1.8
291.20563	0.6
293.18982	0.9
297.22000	1.3
299.23669	5.3
301.21585	1.6
313.21628	1.9
315.23221	1.5
325.21729	1.4
327.23328	0.9
333.24371	2.6
337.21780	0.9
339.23328	1.6
343.22690	0.7
349.21414	1.0
353.24704	1.1
357.24268	1.1
367.22720	1.7
371.26102	1.1
403.24597	1.0
421.25763	1.8
423.32727	0.9
433.30872	4.4
435.27707	1.6
451.32095	8.3
469.33209	2.6
470.33981	0.6
487.34409	0.8
507.35013	1.1
515.37457	0.9
525.35785	13.9
526.36328	1.6
541.35181	1.8
542.52631	0.6
543.36786	100.0
544.37030	14.0
555.37134	1.3
567.36914	1.1
573.38098	0.7
585.38037	2.4
585.76904	0.7
609.37543	0.9
621.38031	0.8
633.37769	1.7
649.77899	0.6
651.39075	3.1
669.39948	4.3
670.39911	0.7
687.40692	4.8
688.41589	1.2
705.30334	3.2
705.42554	13.7
706.42957	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01865	1.1
57.03435	1.3
65.03970	0.7
67.05501	1.5
67.60548	0.5
69.03429	1.6
74.38636	0.7
75.04488	1.2
75.09257	0.6
79.05499	1.5
81.03421	1.5
84.69877	0.5
85.02911	3.0
91.05463	2.9
95.04950	2.8
97.02877	1.1
103.05477	5.5
105.03401	1.1
105.06991	0.6
107.04957	0.9
109.02883	1.8
111.04514	0.8
119.04946	7.1
121.02858	0.6
122.03683	0.7
123.04432	33.8
124.04752	1.3
127.03867	0.7
131.04922	14.7
132.05174	0.8
135.04399	3.5
136.05241	1.4
137.02335	0.6
137.05986	7.5
139.03909	10.5
145.04865	0.6
147.04417	14.0
148.05220	4.5
149.05946	1.5
151.03908	96.4
151.07524	13.0
152.04231	3.7
153.05469	3.5
161.06035	3.5
163.03906	13.6
163.07542	10.5
165.05457	7.9
169.06546	0.8
173.05972	3.2
175.03889	0.9
175.07555	1.5
177.05501	1.8
178.15724	0.5
179.03363	0.8
179.07065	1.3
181.05000	4.8
189.05446	1.4
193.04958	8.5
193.06586	0.6
199.07622	0.8
207.06580	1.9
207.10306	0.5
211.07637	0.6
215.07062	1.6
217.08627	1.3
225.05554	0.6
225.11209	10.2
226.11629	0.6
237.11185	4.6
243.06604	1.7
263.66284	0.5
267.06635	0.7
285.07550	10.3
301.10693	1.9
303.08630	100.0
304.08984	6.1
375.14371	21.9
376.14615	1.2
399.16202	0.7
431.63092	0.6
444.39954	0.7
509.17929	1.8
527.19269	1.2
706.16449	0.7
707.16608	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.2
55.05512	87.1
67.05515	1.3
69.03433	1.7
69.07088	1.2
69.48375	1.2
69.78069	3.8
71.04987	1.1
79.05479	6.6
81.07063	17.8
83.04984	100.0
84.05317	2.0
91.05476	4.5
93.07058	3.1
95.04953	4.5
95.08599	4.4
97.02881	1.5
97.06557	1.3
99.04466	1.4
103.05479	1.1
105.07037	3.0
107.08604	1.5
109.06525	8.6
111.04467	1.3
115.05479	1.7
117.07007	1.8
121.06503	2.7
123.08073	3.2
128.06210	1.7
129.07040	2.4
131.08560	2.7
133.06490	2.9
135.04402	1.3
135.08055	1.6
137.05977	26.2
142.07802	1.2
143.08563	3.8
145.06479	4.3
145.10155	1.7
147.04488	1.0
147.08044	4.9
149.06000	1.5
154.59479	1.0
155.08524	1.8
157.06520	2.7
157.10190	1.1
159.08051	3.5
161.05983	2.9
161.09634	2.0
163.07591	2.6
165.07094	1.6
167.08549	3.1
169.06458	1.8
169.10129	1.4
171.08049	4.5
173.05855	1.2
173.09654	1.5
175.07594	2.1
178.07767	1.2
179.08437	1.9
180.09274	1.8
181.06485	1.2
181.08603	1.2
181.10103	3.3
183.08022	4.2
184.07356	1.5
187.07507	2.6
189.09135	2.4
193.10139	2.4
195.08136	3.3
195.11728	2.3
196.08769	1.5
197.09604	2.7
199.07536	3.5
201.50198	1.0
202.09946	1.9
204.09462	1.6
205.10158	2.4
207.08156	2.1
207.11699	2.4
209.09625	3.0
209.13420	1.3
213.09134	2.4
217.10176	2.0
221.09641	4.5
221.13203	1.7
222.10292	2.4
223.07579	2.4
223.11197	4.7
225.09192	1.4
227.07179	1.4
227.10617	1.9
233.09610	3.2
234.10260	1.8
235.11176	4.2
235.14850	2.1
237.09093	2.6
237.12791	2.0
238.09799	1.3
239.10678	2.1
245.09579	3.5
247.11275	2.7
249.09056	3.0
249.12816	2.6
251.10689	4.8
253.08527	1.4
253.12192	3.1
259.11530	1.5
261.12723	1.7
262.09695	1.2
262.13400	1.2
263.10623	4.6
263.14291	3.1
264.11295	1.5
265.08627	1.4
265.12137	2.3
267.10150	1.7
272.15948	1.2
273.09018	1.5
273.12665	1.9
274.09637	1.4
275.10699	2.0
275.14285	1.4
277.12555	1.7
277.16049	1.1
279.10336	2.2
279.13644	2.4
280.10995	2.3
281.11652	4.2
281.15170	1.2
282.12030	1.4
285.11761	1.0
287.14297	1.4
289.12210	1.6
291.10434	2.0
291.13800	4.8
293.11816	2.3
293.15466	1.6
295.13437	1.4
297.11191	1.7
303.13641	1.6
307.13403	2.6
309.11078	2.0
309.14728	3.3
319.13138	2.0
321.15033	2.5
325.14151	1.3
333.14996	1.5
337.14511	2.5
349.14221	1.6
385.16586	1.3
389.17548	2.8
390.17856	1.3
391.19519	1.6
401.17368	2.4
405.16693	1.3
407.18497	4.4
408.19220	1.5
410.39029	1.1
413.16183	3.1
417.17068	4.7
418.17538	2.4
419.18399	4.8
429.16931	1.9
431.18201	1.6
435.17981	13.1
436.18759	4.2
437.19479	4.1
447.18225	5.8
449.19647	2.5
453.19080	6.0
457.16302	1.4
465.19110	13.6
466.19736	1.5
467.20990	1.5
471.20197	1.4
475.17453	3.5
483.20261	12.0
493.18668	8.8
494.18512	1.5
495.20163	3.6
507.20074	2.2
511.14081	1.1
511.19766	11.0
513.20630	3.0
525.21399	1.7
529.21039	2.0
531.22009	1.4
543.22382	8.8
571.22113	5.6
593.23492	1.9
671.26965	84.8
672.27307	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.7
53.25239	1.4
54.42853	1.3
55.05512	85.9
59.11770	1.5
67.05508	6.4
69.03442	5.3
69.81082	1.6
71.05001	1.6
71.31963	2.8
74.58199	1.6
77.09166	1.5
79.05493	9.3
81.07056	30.7
83.04981	100.0
88.39608	1.5
91.05496	9.5
93.07036	4.0
95.04948	10.6
95.08631	5.6
97.02901	5.8
97.06547	5.3
99.04485	4.3
105.07027	8.5
107.08601	5.5
107.67238	1.5
109.06524	18.7
110.64931	1.6
111.08132	1.7
115.05437	2.1
117.07015	3.8
119.08604	5.3
121.06501	4.1
123.04459	4.3
123.08095	4.4
125.06003	2.5
128.06274	3.8
129.07025	8.0
131.04936	3.0
131.08600	6.0
132.32195	1.5
133.06526	5.2
135.08054	2.2
137.05974	45.5
141.07042	2.4
142.07750	1.8
143.08499	8.3
145.06496	20.1
145.10121	3.0
147.08069	5.7
151.07541	3.2
154.07903	1.9
155.08559	6.0
157.06511	5.4
157.10159	3.4
159.08076	6.5
161.06029	2.4
163.07524	2.7
165.07039	4.4
166.07834	2.5
167.08522	3.4
169.06508	5.2
169.10150	3.2
171.08046	16.8
173.05992	2.1
173.09654	3.5
175.07568	5.6
178.07816	3.7
179.08571	5.8
181.10176	4.5
182.07359	2.6
183.08081	13.5
184.08876	2.7
185.09589	4.5
187.07574	5.6
191.08585	3.0
192.09419	3.9
193.10124	8.4
195.08049	11.4
195.11761	3.2
196.08734	2.5
197.09659	6.5
199.07578	5.8
199.11208	1.8
201.09027	2.8
202.07751	4.6
203.08562	4.2
203.10388	1.6
204.09499	3.8
205.10243	5.2
206.07300	2.1
207.08080	3.7
207.11742	7.4
208.08911	4.4
209.09695	7.4
209.13214	2.1
211.07562	5.0
211.11208	5.1
212.08350	1.9
213.09273	2.0
215.08659	3.9
217.10159	3.9
218.10867	2.1
219.08138	4.5
219.11687	6.6
220.08839	5.8
221.09564	12.1
221.13249	1.9
222.10320	3.4
223.11226	6.9
224.11797	2.3
225.09135	6.5
225.12750	2.8
227.10715	2.1
229.10170	3.2
230.10820	3.4
231.08130	2.4
231.11630	2.3
232.08849	4.1
232.12465	2.0
233.09607	10.5
233.13240	3.5
234.10417	3.5
235.07568	2.2
235.11147	10.1
236.11768	3.3
237.09158	5.8
237.12772	6.7
239.10690	4.7
243.09996	2.3
245.09663	7.2
245.13393	2.3
246.10361	6.3
247.11217	12.3
247.14835	2.8
248.11913	4.8
249.09164	5.4
249.12849	8.5
250.09865	2.4
251.10695	7.0
251.14308	2.9
253.12238	1.9
257.13412	2.6
259.11179	4.5
260.12024	3.4
261.09229	4.4
261.12769	8.8
263.10721	7.8
263.14291	3.2
264.11475	3.8
265.12283	8.1
265.15994	3.0
267.10007	2.7
267.13995	1.8
270.10486	2.2
271.11078	2.8
272.11948	3.2
273.09152	3.8
273.12753	3.4
274.13306	2.8
275.10767	5.5
275.14313	11.8
276.15198	2.2
277.08951	2.0
277.12283	5.5
277.15930	5.8
279.06577	2.2
279.10159	2.7
279.13779	4.0
281.11832	5.4
285.12967	7.7
287.14313	7.2
288.14612	1.7
289.12274	6.0
291.10269	3.6
291.13797	3.8
293.11758	4.5
293.15353	5.0
295.13425	3.1
301.08377	2.5
301.12219	2.4
303.13788	12.4
304.14447	3.1
305.12015	2.2
305.15131	7.6
307.09924	2.3
307.13336	4.6
309.11325	5.0
309.14761	2.1
311.12994	2.9
313.11981	2.5
315.13815	4.2
319.09866	4.0
319.13315	2.3
321.11566	2.1
321.14963	5.7
323.13034	2.7
323.16373	10.0
327.14090	1.9
331.13159	3.6
333.14850	7.4
334.03845	1.7
337.10760	2.8
339.16104	3.0
349.14435	4.5
359.12662	2.7
363.15881	3.5
367.15628	5.5
373.13055	2.8
373.17944	5.6
375.19705	2.3
377.13837	4.7
377.17905	2.2
383.16306	3.6
385.17505	3.3
387.15976	2.9
389.17416	2.2
391.18973	6.5
393.20361	2.5
395.14938	7.9
401.17450	29.5
402.18066	6.8
403.19055	20.6
405.16885	2.1
407.18616	2.4
413.16226	8.7
419.18524	37.0
419.24054	2.5
420.18958	6.1
421.20129	23.0
429.16956	6.9
431.18689	10.9
432.18808	2.5
433.16345	2.6
437.19565	25.4
438.19962	2.3
439.21188	2.1
447.17813	8.9
449.19849	8.5
455.20667	5.2
457.16345	8.4
465.19009	11.1
467.20566	3.2
475.17523	24.7
476.17737	2.3
483.20230	7.0
493.18634	39.3
494.19260	4.2
497.21347	2.1
511.19662	38.2
512.19995	5.0
529.20886	3.7
611.24847	5.7
671.26660	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24670	1.1
57.03447	2.5
65.03941	1.6
65.30538	1.1
69.03431	1.4
69.06599	11.7
73.02917	3.7
79.05487	1.9
82.39456	1.3
83.62839	1.1
90.60880	1.3
91.05489	9.2
93.07110	1.5
94.04163	1.6
98.23458	1.9
103.05470	5.5
105.07029	3.3
107.04973	4.2
109.06506	1.2
112.01924	1.3
115.05473	3.5
117.07033	4.2
119.04949	7.7
119.08604	1.4
121.06522	5.2
122.03672	3.9
123.04430	1.7
128.06210	2.2
129.06972	2.8
131.04926	10.1
133.02876	4.1
133.06479	2.9
135.04468	1.7
135.08107	2.3
136.05228	1.4
137.05978	79.1
138.06276	2.2
143.05006	1.4
145.06485	2.0
147.04417	6.3
149.05991	3.4
150.06831	1.6
151.03960	2.7
151.07536	23.3
157.06487	2.7
159.08102	1.4
160.05156	1.8
161.05983	22.2
161.09654	3.9
162.06731	2.2
163.07544	22.9
165.05484	1.7
165.09135	2.0
167.07146	1.2
167.08629	1.7
174.06752	2.5
175.07535	19.5
177.09108	100.0
178.09470	3.4
179.07071	2.6
179.08502	2.2
181.06505	1.9
182.07346	1.6
187.07565	8.5
189.09135	12.0
191.07095	1.5
191.08652	1.9
194.07382	2.0
195.08150	2.3
195.10213	6.2
201.09175	4.2
203.06958	2.0
203.08655	1.4
205.06523	2.4
207.08257	2.5
207.10211	7.3
209.06003	1.8
209.09659	1.8
217.08563	1.7
219.08028	6.3
219.10210	24.2
220.10693	1.7
221.05968	1.9
221.09734	2.4
221.11716	12.3
222.06752	2.5
223.11165	1.9
225.09161	3.1
227.06834	1.6
235.07524	2.5
237.09175	5.7
239.07091	2.6
241.08588	2.0
247.07629	2.2
248.08298	1.8
249.09123	1.8
251.06992	2.4
251.10684	3.6
252.07509	1.4
253.08650	5.5
255.06461	2.1
255.10115	1.9
264.07806	1.7
265.08582	11.3
266.09137	2.3
267.10150	4.3
268.07333	1.8
270.08768	3.3
277.08734	3.7
277.12155	1.3
279.10181	5.9
281.11743	1.3
282.08804	1.8
283.09750	3.8
283.13269	2.4
285.11252	4.3
291.10193	1.9
293.11752	1.6
295.09634	2.1
296.10446	2.2
297.11172	11.7
298.11932	1.6
299.12762	3.0
308.10370	2.1
309.11359	5.0
310.11844	1.7
311.12762	8.3
312.13089	1.6
313.14099	5.7
315.12393	2.8
323.12775	6.5
325.14349	6.3
329.13840	15.3
331.15277	3.7
337.14188	3.6
341.13922	11.4
343.15445	2.5
355.15381	15.4
356.15781	1.3
367.15308	6.2
369.17676	1.3
461.19421	2.9
475.21500	3.1
479.20761	9.1
491.20807	2.1
503.19986	1.6
509.21567	4.9
726.72968	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.5
52.58833	1.4
53.03944	4.5
55.01876	25.4
55.05513	63.0
57.03439	28.1
57.07076	4.6
59.04998	4.2
61.02928	8.8
62.97515	0.9
65.03943	2.5
65.07540	0.9
67.05505	41.3
68.05827	1.2
69.03430	9.2
69.06514	8.1
69.07066	13.8
71.01361	2.9
71.04991	5.8
73.02903	6.9
77.03966	1.1
79.05495	49.1
79.33453	0.9
81.03422	31.7
81.07056	48.6
82.03773	1.4
82.04200	5.6
82.07391	1.2
83.01334	10.3
83.04980	55.1
83.08622	22.0
84.02119	2.0
84.05305	1.2
85.02903	12.2
85.06552	2.4
87.04424	1.0
91.03948	4.4
91.05482	31.4
93.07043	42.8
95.04973	22.9
95.08611	17.6
97.02887	12.6
97.06539	13.4
97.10169	15.7
98.07294	6.2
98.22547	1.6
99.04450	4.6
99.08089	2.5
101.06039	1.3
103.05501	1.5
105.04520	1.9
105.07032	20.1
107.04948	16.5
107.08597	22.6
109.02904	1.9
109.06515	17.2
109.10154	11.1
110.10473	1.0
111.04446	6.2
111.08081	7.1
115.05437	1.7
116.04713	12.9
117.07030	12.9
119.04893	1.7
119.08583	21.2
120.95351	1.0
121.02854	1.0
121.06493	8.6
121.10127	13.7
123.04447	2.8
123.08064	15.3
125.05992	3.1
125.09624	17.6
127.03907	1.7
128.06229	1.5
129.05482	29.3
129.06941	7.4
130.07767	2.6
131.08553	10.0
133.06474	3.5
133.10115	6.5
135.08029	6.4
135.11690	18.4
137.05956	13.7
137.09610	4.6
142.07745	1.7
143.07027	5.8
143.08539	4.4
143.10780	1.3
145.06462	7.0
145.10129	21.8
147.08025	7.4
147.11658	6.3
149.05992	2.3
149.09637	2.5
151.07542	1.1
153.09079	2.5
153.12738	3.1
155.08583	2.7
157.06541	1.9
157.08615	14.6
157.10110	4.9
158.05745	1.8
159.08049	2.4
161.09598	2.0
163.11183	33.4
164.11658	1.9
165.12759	2.9
169.10106	1.5
171.06618	1.7
171.08067	3.9
171.10191	5.5
171.11523	1.7
173.05908	1.4
173.09608	7.7
173.11723	1.5
175.07674	1.2
175.11165	3.1
177.09088	1.9
179.08499	2.8
181.10033	1.3
181.12283	5.8
182.07291	1.6
183.08069	4.6
184.07352	6.7
184.08795	1.6
185.07993	1.3
185.09642	1.6
187.07518	1.7
189.11209	8.9
190.09918	1.2
191.08847	1.3
191.10641	4.2
192.09320	1.4
193.10313	1.8
193.12253	5.0
195.08041	2.8
195.11621	1.3
197.09740	1.4
199.07597	1.9
199.11609	1.6
199.13258	7.9
200.14069	2.9
201.14862	3.0
202.07822	1.2
205.10121	1.6
207.11642	1.3
209.09639	4.0
209.11739	12.6
209.13266	1.2
210.12459	3.0
211.11340	1.4
211.13335	3.1
217.10193	2.1
219.07990	1.6
219.11714	1.6
220.08910	2.0
221.09636	3.7
223.11205	2.4
223.13272	1.6
225.09123	2.0
227.12764	18.3
228.13268	1.4
229.14296	1.5
232.08806	1.2
233.09564	3.9
235.11142	5.6
237.08981	1.4
237.12738	1.3
245.09630	2.1
246.10277	1.9
247.11110	3.4
248.11949	1.3
249.09258	1.5
249.12883	1.6
251.10678	1.8
255.16000	1.5
257.13400	1.5
258.10391	1.1
260.11862	1.3
261.08942	1.7
261.12723	3.3
263.10657	3.8
263.14294	1.4
265.12109	2.6
267.10110	1.4
267.13553	1.2
267.15976	10.6
273.09064	1.2
273.12726	1.3
274.09982	1.1
275.10654	2.1
275.14291	1.9
283.15399	100.0
284.15781	7.8
285.12717	1.2
285.17007	1.7
287.14380	1.7
289.12146	1.7
291.09991	1.3
291.13812	1.0
293.15350	2.0
301.16446	75.7
302.16800	4.2
303.13788	3.3
305.15436	2.8
307.13394	1.4
309.11276	1.3
321.14819	1.1
323.16367	1.8
331.13141	2.0
337.16422	4.3
349.14227	1.5
365.20059	1.1
373.17786	2.0
377.13312	1.3
383.21976	1.8
385.17374	1.2
391.18961	2.3
393.20609	1.2
395.14816	2.6
401.17612	8.4
401.22427	1.7
402.18015	2.0
403.18958	4.7
413.16272	3.7
419.18427	10.6
420.19189	1.7
421.19974	6.8
425.25244	2.9
429.16769	2.2
431.18381	4.1
436.24448	1.6
437.19528	5.4
437.25314	6.6
447.18018	2.8
449.19403	3.7
455.20480	1.6
457.16376	2.4
457.25949	1.9
459.26947	1.5
465.19037	2.3
467.20422	1.5
473.28741	6.5
474.25720	1.5
475.17615	7.3
475.26947	9.5
477.28763	1.6
483.20093	1.8
491.26245	2.3
492.26926	6.0
493.18481	12.3
493.26013	1.7
494.18646	2.0
509.27466	92.3
510.27795	9.9
511.19626	10.3
512.20135	1.2
527.28278	2.2
580.09515	1.1
651.78485	1.2
733.89661	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05409	0.8
51.02397	0.8
53.00300	2.8
53.03942	4.1
55.01869	4.6
55.05508	20.6
57.03435	13.9
59.04736	0.7
59.04995	3.5
61.02930	4.9
65.03925	1.0
67.05502	24.3
67.50005	0.6
69.03437	5.0
69.07071	4.7
70.92359	0.9
71.01340	1.1
71.04996	4.3
71.30566	1.1
73.02902	2.8
77.03909	0.9
79.05489	24.9
81.03416	54.2
81.06579	1.7
81.07053	31.5
82.07349	0.9
83.04977	13.6
83.08614	26.5
85.02900	22.5
85.06538	2.4
91.03928	1.4
91.05479	38.1
92.05856	1.4
93.06462	1.4
93.07040	21.9
95.04962	23.8
95.08599	11.7
95.51350	0.8
97.02895	8.5
97.06564	5.3
97.10149	3.3
99.00803	16.0
99.04480	1.7
99.08097	1.0
103.05486	1.0
105.07029	27.2
107.04949	10.2
107.08586	9.9
109.02876	9.9
109.06523	6.7
109.10159	5.2
111.04470	3.7
111.08068	10.1
113.06010	3.1
115.03923	3.2
115.05449	1.9
117.07000	4.2
119.04915	1.4
119.08581	21.6
121.06512	9.0
121.10124	7.6
123.04433	1.1
123.08051	3.4
123.11708	3.6
125.06019	1.1
125.09623	1.3
127.03909	2.5
128.06197	1.5
129.07001	8.7
131.08566	9.8
133.06511	4.0
133.10123	38.9
134.10420	1.0
135.08057	1.6
135.11668	2.2
137.05936	2.3
137.09599	1.6
139.07530	3.4
142.07767	2.1
143.08505	3.8
145.06424	1.8
145.10106	3.7
147.08034	3.0
147.11681	10.2
149.09610	4.5
151.11172	9.4
156.15794	0.8
157.10107	10.7
159.95592	0.8
161.09621	18.0
162.09988	1.1
163.11259	2.5
165.09093	1.4
165.12718	1.9
171.08060	3.5
175.11200	9.8
179.10675	10.4
189.09149	6.0
193.12236	34.2
197.11673	2.3
201.45915	0.8
207.10156	3.8
211.13284	56.5
212.13646	2.9
225.11183	9.2
227.12785	2.0
243.12279	3.1
265.14047	1.1
267.15872	19.7
281.13748	4.5
281.95044	0.9
282.14001	0.8
283.15347	3.5
283.62427	0.9
285.16949	44.2
286.17276	2.9
299.14877	68.6
300.15210	3.1
301.16321	1.8
445.25922	1.6
459.27191	2.0
473.25177	3.1
477.28281	1.0
491.26398	15.2
492.26816	1.7
495.29187	2.5
509.27432	100.0
510.20859	1.2
510.27744	9.9
545.89032	0.9
549.20276	1.1
612.87842	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.2
56.05034	0.7
57.07061	0.3
58.06627	0.5
59.07378	0.1
60.08163	6.8
67.05501	0.6
69.07050	0.2
70.06589	0.2
71.06980	0.2
71.07373	3.6
71.08614	0.1
72.07704	0.1
74.09711	0.1
79.05491	0.4
80.97449	0.1
81.03416	0.3
81.07051	0.5
83.04998	0.1
83.08605	0.3
84.99670	0.1
85.02906	0.1
86.09703	33.2
87.04444	0.4
87.10016	0.6
91.05491	0.5
93.07027	0.3
95.04970	0.2
95.08598	0.4
98.22642	0.3
98.23322	0.3
98.98464	3.8
104.10742	2.7
105.07007	0.3
107.08601	0.2
109.10159	0.2
112.22894	0.1
117.06909	0.1
119.08581	0.2
121.10133	0.1
125.00000	22.4
126.00346	0.2
129.07033	0.1
131.08530	0.1
133.37379	0.1
135.11722	0.1
143.01016	0.3
145.10155	0.1
147.11725	0.2
149.09665	0.1
184.07338	100.0
185.07703	1.7
190.33327	0.1
193.12238	0.1
211.13330	0.2
267.15988	0.1
335.25952	0.2
496.34103	0.2
545.38818	0.1
688.46161	0.1
706.46613	4.3
707.48071	0.6
716.09015	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00779	6.2
77.94137	0.6
78.84769	0.6
79.05499	1.0
80.05039	0.6
82.06590	0.8
84.04442	0.6
85.02898	1.0
91.05483	1.5
93.07036	3.0
94.06573	5.1
95.04944	0.7
95.07349	2.7
95.08626	0.8
96.08131	6.1
97.06561	0.7
98.22645	1.4
98.76858	0.6
103.05476	1.0
108.08116	6.9
110.09679	13.1
120.08121	8.6
122.06034	5.5
122.09689	1.0
124.07674	1.4
136.07578	6.6
138.09146	13.3
140.07065	0.8
148.07600	3.8
150.09116	1.6
152.10794	0.7
163.11209	0.8
164.07057	1.2
166.08638	13.8
167.08937	0.7
178.08624	0.8
201.86636	0.6
208.09937	0.7
209.10815	1.4
211.12326	0.8
221.10776	0.9
222.11557	1.2
223.08682	0.7
223.12221	0.7
224.09390	0.8
225.10307	1.6
235.08702	3.9
236.09340	5.5
237.10207	16.7
238.10771	1.4
239.11812	1.8
247.08649	1.3
248.09444	1.7
249.10213	22.0
250.10965	5.6
251.08109	1.4
251.11856	6.9
251.20396	0.6
252.08977	1.0
252.12520	1.5
253.09763	4.4
253.13287	0.9
255.11314	1.0
261.10349	2.7
263.08102	2.6
263.11871	2.3
264.08884	8.6
265.09720	16.3
266.10416	4.0
267.11331	7.1
268.12027	1.1
269.09277	1.3
275.08395	1.0
275.87076	0.7
276.08972	2.5
277.09741	18.0
278.10425	9.3
279.08078	1.0
279.11224	13.4
280.12000	5.1
281.09265	3.5
281.12930	2.3
282.09799	0.9
283.10880	2.5
289.09821	2.0
290.10425	0.8
291.07791	2.2
291.11346	3.8
292.08435	2.8
292.12103	2.2
293.09265	31.1
293.12866	8.1
294.09842	3.6
294.13242	1.3
295.10718	4.4
296.11575	1.0
297.08954	1.7
297.12503	1.8
304.08310	0.9
305.09210	7.1
306.09830	3.3
307.10788	8.8
308.07941	1.0
308.11240	0.7
309.08746	3.0
309.12421	5.3
310.09409	1.0
310.13101	1.1
311.10266	3.3
311.14017	2.4
312.11154	2.8
313.11975	1.6
314.12991	0.8
315.13739	1.0
319.10846	4.9
321.12408	1.8
322.09384	1.1
323.10236	4.6
324.10968	3.0
324.14655	0.9
325.11771	6.1
325.15234	1.1
326.12668	1.3
327.13376	4.8
328.14450	1.1
329.15088	1.1
333.08609	4.3
335.10391	1.8
337.11804	7.3
338.12521	2.0
339.13422	18.3
340.14120	2.0
341.11496	1.0
341.15292	1.2
342.12421	1.4
342.16077	1.7
343.13162	1.3
344.13950	1.1
344.17633	1.2
347.10345	0.9
350.09125	0.7
351.09753	16.0
352.10300	1.5
352.14410	1.5
353.11270	2.7
353.15161	1.7
354.12439	2.1
355.13187	2.5
356.13901	4.4
357.14868	1.8
358.15637	1.4
359.16245	1.1
365.11313	9.0
366.12109	2.6
367.12967	1.0
369.10751	1.6
369.14651	1.5
370.11658	3.4
370.15765	2.3
371.12347	3.2
371.16644	0.9
372.13037	1.2
372.17191	1.7
382.11533	3.5
382.15814	1.3
383.12323	5.4
384.13235	4.9
385.13959	6.4
385.18127	1.0
386.14941	2.6
387.15320	0.9
396.13330	1.1
397.13953	21.1
398.14746	5.8
399.10864	1.1
399.15677	1.8
400.16687	4.0
402.13965	1.1
402.18497	1.1
410.15390	0.7
412.12888	1.5
413.13220	0.8
414.18344	1.3
416.16025	2.0
418.17651	6.6
426.14609	1.9
428.16113	2.2
429.16559	0.9
432.19382	1.0
433.20081	0.8
442.18329	1.1
444.15308	2.9
446.16965	6.8
454.13895	6.0
460.19547	3.3
462.20255	1.1
472.14859	13.4
473.15341	1.8
474.16718	2.6
476.17981	0.9
477.19000	1.6
478.19577	4.7
490.19788	3.7
491.19867	0.9
492.16962	7.1
493.17883	1.2
504.17682	4.9
518.19336	7.5
519.19696	2.7
522.22864	1.5
524.23956	9.1
525.24591	1.3
536.20215	2.8
545.33398	0.9
550.21851	100.0
551.22522	54.0
552.23120	5.6
568.22852	28.6
569.23315	5.0
607.22101	2.3
611.24725	1.1
625.22754	5.2
639.24817	5.6
640.25238	1.2
657.25476	18.5
658.26160	3.3
675.26410	5.7
707.29175	2.8
707.39667	1.1
708.29016	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.7
57.07084	1.8
62.28709	0.9
67.05522	1.4
71.31647	1.0
76.50131	0.9
79.05507	1.4
80.15917	0.9
81.07064	2.2
83.07580	0.9
86.09702	3.1
87.04485	3.6
91.05479	1.9
93.07040	1.2
95.04946	0.9
95.08612	1.9
104.76510	0.9
105.03399	7.4
105.07044	1.2
115.00276	1.0
125.00017	3.1
144.77199	1.2
147.39824	1.1
184.07368	9.4
322.51309	1.1
536.57483	1.2
609.44958	1.7
680.93683	1.1
707.37555	100.0
708.37897	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17823	0.6
52.77904	0.7
55.05500	0.6
60.08175	3.6
65.11159	0.7
67.05514	2.2
69.07073	0.8
69.56400	3.3
69.97269	0.7
71.07387	2.1
77.45901	0.6
79.05483	2.0
81.07066	2.2
84.71557	0.6
86.09712	14.3
87.04471	2.3
87.09544	0.8
87.10042	1.5
91.05485	1.6
93.07066	1.7
95.08632	2.7
98.23122	1.8
98.98479	2.2
104.10792	0.8
105.07041	1.5
107.08603	1.9
109.10141	0.9
119.08615	1.0
121.10164	0.7
125.00010	7.8
126.00307	0.7
133.10158	1.0
143.67389	0.7
145.10162	0.8
159.11745	0.9
162.25423	0.8
166.80487	0.8
177.15125	0.6
184.07349	46.4
185.07732	4.9
192.96625	0.7
207.44911	0.7
243.23343	0.7
256.87085	0.6
290.97665	0.8
423.52390	0.7
535.27228	1.0
535.36560	1.2
609.45319	0.9
666.05847	0.7
707.37555	100.0
708.37970	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	14.2
55.05516	100.0
57.03449	9.0
67.05510	19.3
69.02865	58.6
69.03434	31.2
71.05000	19.9
79.05489	14.0
81.07078	21.0
83.04987	99.7
85.02927	14.0
86.02412	7.7
91.05478	13.5
93.07032	11.8
95.04945	6.7
95.08592	12.2
97.06575	6.9
98.23376	11.3
102.07536	7.5
105.07064	15.6
109.06551	8.3
119.08564	9.5
123.08085	20.3
131.08583	9.9
135.08080	7.6
137.05960	19.5
143.08577	11.0
145.06509	11.8
147.08047	13.6
153.05482	9.2
155.07088	6.9
155.08562	15.0
157.10156	10.1
159.08130	8.9
163.07617	9.0
167.08591	8.8
171.08086	15.3
181.06490	7.1
183.08136	12.0
185.09660	11.3
193.10123	17.8
195.08022	7.9
197.09650	8.7
213.09241	9.3
221.09659	17.1
221.13287	8.2
233.09619	11.1
235.11319	11.7
237.09280	10.0
245.09598	10.2
247.11317	9.7
259.11365	8.9
263.10776	8.0
263.14307	15.3
273.12888	8.4
275.14301	8.2
278.12549	8.0
293.15424	8.2
305.11966	10.5
305.15311	12.3
323.12881	9.7
333.14896	9.0
351.15976	15.7
383.18170	10.0
389.16980	8.2
399.16061	9.8
417.16818	25.6
425.19952	8.4
435.18048	79.8
451.21210	15.2
451.34006	8.3
453.19055	92.2
459.17999	14.6
471.20148	16.0
477.19104	33.6
477.86053	8.1
495.20151	82.8
496.20444	11.8
513.21155	59.7
514.21564	10.6
573.24011	9.6
655.27734	8.7
709.27539	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02409	0.7
52.90050	0.7
53.03958	2.8
55.01868	5.1
55.05512	11.3
57.03440	10.5
57.07077	0.8
59.05001	1.0
61.02933	3.0
65.03950	3.3
67.01875	0.7
67.05506	15.9
68.05838	0.9
68.90043	0.7
69.03430	13.9
69.07072	4.6
70.45251	1.4
70.45596	0.8
71.04993	3.0
73.02921	1.4
74.08961	0.6
79.05495	29.4
80.05835	0.7
81.02924	0.9
81.03048	0.5
81.03419	27.0
81.07059	100.0
82.04205	1.4
82.07402	2.7
83.04980	8.3
83.08620	10.3
85.02906	12.6
85.06564	1.5
87.04478	1.1
91.03937	0.8
91.05481	24.9
92.05818	0.8
93.07037	11.4
94.75449	0.7
95.04972	17.6
95.05552	1.2
95.08595	5.9
96.05335	0.8
96.26463	0.7
97.02885	3.9
97.06532	4.1
97.10165	4.5
98.07319	1.2
99.04465	1.1
103.05479	1.0
105.07030	12.6
105.07668	1.1
107.04955	5.8
107.08597	9.3
109.02895	1.1
109.06519	31.0
109.10187	4.3
110.06849	0.9
111.04433	2.0
111.08092	5.7
113.06023	1.3
115.05453	2.0
116.04740	3.1
117.07034	5.4
119.04956	2.3
119.06091	1.1
119.08575	14.7
121.06507	4.1
121.10137	4.6
123.04437	1.6
123.08044	3.9
123.11754	1.0
125.00005	1.1
125.06057	1.1
125.09642	4.2
127.03918	1.1
129.05493	8.4
129.06998	6.6
130.07793	0.7
131.08565	8.8
133.06523	3.3
133.10132	7.1
135.08066	5.5
135.11697	2.9
137.05978	94.8
138.06326	2.9
142.07820	1.5
143.07022	1.7
143.08559	2.6
145.05296	1.0
145.06490	9.3
145.10146	4.8
147.08051	9.8
147.11684	7.0
149.09608	4.3
151.07503	0.9
153.12737	0.9
155.08594	2.3
157.06528	0.9
157.08620	3.7
157.10132	7.7
157.22861	0.8
159.08058	2.7
159.11655	1.0
161.05984	1.6
161.09587	4.1
163.07544	6.8
163.11191	4.1
165.12732	1.1
169.10123	2.7
171.08043	1.5
171.10242	1.4
171.11603	1.1
173.05963	2.3
173.09650	2.0
173.13406	0.7
175.07541	9.3
175.11163	6.1
177.09148	1.6
179.07082	1.0
179.08592	0.8
180.83586	0.8
181.10088	0.9
181.12288	1.2
183.08044	1.2
183.11632	0.9
184.07379	1.7
185.09589	1.4
185.13298	1.0
187.11201	2.2
189.09108	1.8
189.11172	1.8
191.07065	6.5
191.10661	1.6
193.10313	1.4
193.12234	16.9
194.12596	0.9
195.11726	1.7
197.09589	1.8
199.11194	1.8
199.13298	2.9
200.14008	1.2
201.09090	1.4
201.12704	3.9
203.07047	13.9
203.10602	1.6
204.07494	1.1
207.11638	1.0
209.09790	1.2
209.11737	2.7
211.11240	2.3
211.13254	24.9
212.13715	1.1
213.09105	1.1
213.12738	5.0
215.10739	1.7
215.14302	1.9
217.08638	0.8
221.13240	1.3
225.12758	2.4
227.10759	1.2
227.12492	3.2
229.12286	1.9
229.14330	1.2
230.12881	0.7
231.10066	1.6
231.13785	2.0
237.12733	1.3
239.14296	2.2
241.12231	1.6
243.13789	2.4
249.12654	1.0
249.36014	0.7
255.13791	1.4
255.16010	1.4
255.23914	0.7
265.12097	1.4
267.13632	2.7
267.16083	7.6
268.16394	0.7
269.12186	0.8
269.15259	1.0
273.14761	1.5
283.13211	0.8
283.15479	8.7
285.14825	2.6
285.17191	16.1
291.16122	1.0
293.15277	1.8
297.15009	2.1
301.16476	15.8
302.16479	1.0
303.15930	1.0
315.15854	7.3
321.17084	1.2
333.16946	2.3
345.16876	0.7
357.17072	2.0
365.21234	0.8
365.44257	0.7
375.18170	6.1
377.17322	0.7
393.20566	4.1
403.18982	7.9
404.19312	1.0
405.20609	1.6
409.25766	0.9
415.18909	1.1
421.20081	45.9
422.20267	4.9
433.20148	11.4
434.20419	1.5
439.26825	1.9
447.21631	1.4
447.27252	0.8
451.21127	22.1
452.21280	2.2
463.21088	2.1
465.22464	2.9
475.21228	3.3
475.26974	2.3
476.26941	1.6
477.27972	1.0
481.22095	3.9
483.23883	0.7
493.21832	10.1
493.27881	13.8
494.22330	1.8
494.28345	2.2
511.22934	16.6
511.29068	8.6
512.23218	1.8
512.29657	1.4
537.22632	0.8
673.28064	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.0
55.01871	16.9
55.05514	36.1
57.03436	28.8
57.07083	2.8
59.05027	2.1
61.02924	8.7
65.03948	4.2
67.05505	48.0
69.01098	13.1
69.03436	7.7
69.07066	11.8
71.01350	1.6
71.04987	8.0
73.02927	6.6
79.05493	43.2
81.03417	90.9
81.07054	44.9
82.03762	2.5
82.04218	3.1
83.04980	30.4
83.08623	35.4
85.02904	28.2
85.06538	2.6
91.05479	53.8
93.07046	30.5
94.04201	2.1
95.04968	44.3
95.08608	16.5
97.02892	10.6
97.06544	11.8
97.10163	19.8
98.07319	4.7
99.04420	2.1
99.08119	2.8
105.04505	2.0
105.07030	29.4
107.04956	14.4
107.08586	20.2
109.02828	1.5
109.06511	8.1
109.10161	14.1
111.04445	6.1
111.08095	17.7
113.06020	3.0
115.05447	2.3
116.04718	13.9
117.07038	5.4
119.08581	27.5
120.08955	1.8
121.06519	3.5
121.10138	13.8
123.04389	2.0
123.08023	7.8
125.09624	19.0
127.03946	2.6
127.11301	1.7
129.05487	33.5
129.06978	14.7
131.08568	18.6
133.06512	3.6
133.10133	18.6
135.08049	4.1
135.11705	5.6
137.06027	3.5
137.09583	4.0
142.07838	2.6
143.07013	7.7
145.10121	6.6
147.08051	3.3
147.11691	19.7
149.09616	11.0
153.09122	1.7
153.12724	3.7
155.10625	1.8
157.08626	15.3
157.10146	19.4
158.05695	3.1
163.11179	10.6
165.12762	5.4
169.65506	1.8
171.06592	4.2
171.10168	6.4
173.09613	3.0
173.11732	4.8
175.11198	24.0
181.12212	2.9
185.11787	1.9
189.11208	7.8
191.10684	1.9
193.12236	83.9
194.12662	3.6
199.13284	13.9
200.13940	1.8
209.11696	9.7
210.12439	1.7
211.13295	100.0
212.13664	6.5
227.12802	14.3
247.13351	2.6
255.15819	2.3
267.15924	31.7
283.15439	11.1
284.15796	2.4
285.16949	72.9
286.17377	2.9
294.99057	1.8
301.16446	78.9
302.16858	5.3
339.17969	1.8
356.12408	1.7
409.25806	5.4
427.26862	4.1
439.26895	8.9
459.27347	3.7
475.26819	2.1
476.27884	3.6
477.28436	6.2
493.28177	17.3
494.28616	8.1
511.29050	68.2
511.36566	3.7
512.29523	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20099	1.0
53.03946	3.4
54.32480	1.0
55.01874	5.1
55.05511	23.3
57.03439	14.1
57.07076	1.6
59.04995	1.8
61.02920	5.1
65.03938	2.8
67.05505	71.6
68.05829	1.3
68.51761	1.0
69.03423	5.6
69.07066	12.3
71.01353	1.2
71.04995	23.6
73.02921	2.8
79.05492	36.0
80.05822	1.7
81.03419	49.8
81.07055	100.0
82.03733	1.9
82.07388	1.8
83.04986	14.8
83.08615	22.7
85.02905	18.4
85.06547	10.7
87.04474	1.4
91.03952	2.5
91.05482	52.8
92.05804	1.8
93.07043	31.3
93.07627	1.9
95.04971	20.6
95.08607	16.0
96.09000	1.4
97.02896	5.3
97.06531	9.0
97.10180	4.7
98.44099	0.9
99.04443	2.0
99.08100	1.8
105.07029	25.7
107.04961	8.7
107.08599	18.7
109.06506	6.6
109.10139	10.1
111.04482	2.9
111.08077	9.2
113.06019	2.0
115.05398	2.0
117.07053	5.6
119.08583	17.4
121.06493	3.2
121.10133	12.5
123.08077	3.0
123.11698	11.4
125.09649	2.4
127.07600	1.4
129.07014	9.0
131.08545	14.1
133.06470	2.2
133.10124	24.6
133.11060	1.8
135.08113	1.9
135.11676	5.8
136.18384	1.1
137.05984	1.0
137.09621	2.7
142.07849	2.8
145.10153	3.9
147.08070	2.6
147.11679	10.7
149.09596	4.9
149.13249	6.7
151.11191	7.2
157.10127	11.0
159.11696	5.8
163.11214	2.1
165.12793	2.3
169.12143	1.0
175.11150	10.5
177.12689	1.7
181.74158	0.9
183.13878	3.1
187.11806	1.0
187.13354	4.3
189.11208	1.0
193.12238	26.0
193.94247	1.0
195.13840	2.8
207.13770	1.2
209.11630	1.4
211.13280	29.9
211.15146	1.8
212.13614	1.6
225.14775	2.1
227.12785	1.6
228.54318	1.1
229.14386	2.9
243.16011	1.6
253.18060	2.3
257.17468	3.6
267.15887	20.4
268.16263	1.5
269.17459	17.8
283.15448	3.4
284.15814	1.4
285.17007	18.7
301.16705	2.0
301.20041	14.6
323.25427	1.1
331.12079	1.1
349.23883	2.4
369.24213	1.7
417.26520	2.2
434.04028	1.1
435.27383	25.4
436.27560	3.4
439.26407	1.4
443.27835	1.4
453.18964	2.0
453.28455	50.9
454.28799	6.4
460.28009	1.1
461.28918	46.0
462.29337	5.6
467.30215	8.3
479.30014	41.2
480.30374	3.3
493.32132	2.0
502.28516	1.4
503.29730	2.6
511.32932	33.4
512.32861	3.0
546.48944	1.3
550.86542	1.2
623.35193	1.1
708.32141	3.0
709.18542	39.2
709.33069	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.2
56.05036	0.8
56.45812	0.1
57.03434	0.1
57.07076	0.3
58.06365	0.2
58.06638	0.4
59.07393	0.1
60.08165	6.3
63.80795	0.1
67.05524	0.8
68.69057	0.1
69.07079	0.3
70.06586	0.3
71.05021	0.2
71.06984	0.2
71.07375	3.3
71.08623	0.2
79.05498	0.4
81.03416	0.1
81.07044	0.6
83.05013	0.1
83.08619	0.2
86.09705	29.0
87.10032	0.6
91.05476	0.3
93.07052	0.4
95.08617	0.5
97.10172	0.1
98.98469	3.6
104.10743	2.4
105.07047	0.3
107.08598	0.3
109.02921	0.1
109.10164	0.5
119.08617	0.3
121.10165	0.2
125.00005	20.7
126.00366	0.2
133.10158	0.2
135.11700	0.3
137.09645	0.1
143.01088	0.2
145.10143	0.2
184.07343	100.0
185.07693	1.9
186.83606	0.1
313.27390	0.3
410.29831	0.1
457.94992	0.1
467.37280	0.3
472.27563	0.1
479.87253	0.1
486.74530	0.2
519.36340	0.2
625.11053	0.1
676.45056	0.5
708.48132	4.0
709.36963	0.3
709.49438	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
55.01866	0.4
55.05512	8.7
57.03429	0.4
61.02909	1.1
61.53711	0.3
65.03954	0.6
68.82764	0.3
69.03426	1.9
69.66485	0.2
70.90928	0.5
70.91269	0.3
71.04985	1.3
81.03458	0.4
81.07032	0.3
83.04980	67.8
84.05307	1.2
85.02898	2.7
91.03959	0.5
92.02650	0.5
93.03430	0.9
93.07030	0.4
95.08626	0.3
97.02880	0.7
97.06528	0.3
101.06017	0.3
107.08627	0.3
111.04441	58.8
112.04760	1.4
113.05974	0.5
121.02859	1.2
123.04405	0.3
126.03113	0.5
127.03914	0.5
129.05473	4.2
139.03857	0.9
151.03864	0.7
153.01836	6.5
153.05452	4.4
160.99814	0.3
165.01836	0.7
167.05772	0.3
171.06517	13.5
171.07990	0.7
172.06850	0.4
186.50575	0.4
200.04691	0.5
201.05542	0.6
203.03392	0.4
217.05017	0.6
218.05690	0.5
228.04138	1.0
229.05005	3.2
231.08615	5.2
245.04446	0.7
246.05199	1.8
257.04407	2.6
261.07449	0.3
266.05243	0.3
273.03815	1.8
274.04718	4.2
284.03189	0.3
285.03888	4.1
302.04208	11.9
303.04578	0.7
317.06546	100.0
318.06879	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2252
Annotation	Cathayanon A
Peak:m/z	Relative Intensity
51.22742	0.7
59.71833	0.8
66.92503	0.8
67.05524	0.8
71.31702	1.0
73.11559	0.6
81.07078	0.9
91.05515	0.7
93.24966	0.7
125.77297	0.7
158.73813	0.8
319.44714	0.9
326.61429	0.8
376.41678	0.7
379.20895	0.7
709.22455	100.0
710.22809	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21008	1.7
69.99219	5.5
83.04964	2.1
91.05486	2.0
94.06566	2.4
96.08125	5.2
105.66084	1.8
108.08121	4.0
110.09689	4.7
111.04416	2.4
115.96952	1.9
120.04404	2.4
120.08099	5.1
123.04483	2.5
124.07625	2.0
136.07602	4.7
138.09113	12.3
151.98390	1.7
166.08614	8.2
171.87857	1.6
172.03864	2.4
190.05034	2.1
194.08157	1.8
199.50496	1.7
204.06448	4.5
225.10284	2.0
237.10196	4.7
237.84773	1.9
243.11320	3.0
249.10284	4.2
251.07974	2.5
251.11746	4.3
253.09789	3.3
263.11874	3.9
265.09708	6.5
267.11282	4.1
271.10822	3.3
277.09741	2.3
278.10614	3.2
279.07755	2.8
279.11276	7.9
280.11917	2.4
281.09143	4.5
281.12726	3.9
283.10770	3.6
285.12396	3.2
287.13889	2.4
289.09833	3.0
293.09274	2.4
293.12878	4.8
294.10001	5.2
295.10455	2.6
297.12466	2.7
299.10355	1.8
303.13699	4.0
307.10776	2.1
309.12201	2.4
311.10190	3.9
311.13834	3.2
324.11026	2.3
325.11752	6.6
326.12430	5.3
327.13358	9.2
335.10181	8.1
339.09476	1.7
339.13367	43.6
340.10315	2.6
340.14011	3.5
353.11209	2.6
354.12091	4.2
355.12796	13.3
357.14572	2.7
367.12866	25.8
368.13464	3.8
387.15665	2.9
415.15103	2.6
426.19202	1.8
462.16644	2.2
474.16476	5.0
479.20276	2.3
488.18076	8.6
492.21219	4.7
520.20752	100.0
521.21088	11.0
552.23352	40.4
553.23724	4.8
627.24628	12.9
693.82300	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.01867	1.8
55.05510	1.7
57.03442	3.2
57.07078	0.9
61.02938	4.2
61.43897	0.5
63.03970	0.6
67.05511	3.4
69.03429	3.0
69.07069	1.5
71.04976	0.6
71.30264	0.5
71.30650	0.9
73.02926	2.9
79.05493	4.3
81.03424	1.7
81.07050	3.3
83.04990	1.2
83.08599	1.3
85.02905	6.0
91.03942	4.0
91.05488	3.1
93.07049	2.9
95.01100	1.0
95.04972	1.6
95.08615	1.9
97.02905	5.3
97.06507	1.0
99.04458	1.5
101.02400	1.8
105.07035	1.8
107.08608	2.0
109.10164	0.9
111.04429	0.7
117.05544	1.2
117.07009	1.1
119.08578	1.1
121.10123	1.0
123.04209	1.2
125.09652	0.9
127.03911	2.4
129.05492	2.8
129.06906	0.7
133.10114	0.9
145.04974	0.9
147.11717	2.2
148.72113	0.6
149.13387	0.8
157.04822	0.9
185.04211	7.8
201.03773	2.7
211.13242	0.6
227.05290	1.1
229.14340	0.9
243.08290	5.4
247.13072	5.5
259.08047	1.2
287.16284	1.8
294.32513	0.7
301.08936	20.5
303.15662	1.0
313.08838	1.0
315.10489	6.9
317.08432	1.0
327.10455	1.3
329.11935	0.7
341.12326	1.8
343.13660	1.3
345.16675	5.3
355.13654	1.7
357.15353	1.6
359.18433	1.2
363.17978	0.8
369.15521	1.6
371.16724	3.4
373.10999	10.3
374.11597	0.8
383.16699	3.5
385.18359	7.2
387.12732	1.9
391.17343	2.8
397.18375	0.8
401.26877	0.9
413.13898	0.7
415.15695	1.2
429.17477	2.5
429.26242	4.9
435.19885	1.2
441.21283	0.9
443.18967	1.9
447.27283	0.7
455.18912	2.6
457.20547	2.1
465.21030	16.9
466.21277	1.5
467.18497	0.7
471.21545	0.8
475.26883	1.7
481.20505	6.1
485.19797	1.4
495.22101	11.7
496.22736	3.7
509.23843	1.4
513.26898	1.4
523.24921	0.8
524.22168	7.2
525.22571	0.9
527.28070	1.5
537.22821	10.0
538.23859	1.5
551.24951	2.8
557.22009	0.7
565.30298	6.4
579.31842	5.2
580.31848	2.7
591.13483	0.8
607.31268	7.9
608.31805	4.7
621.32172	1.4
625.32074	0.8
649.31891	2.4
663.33545	2.8
691.32831	3.3
692.33221	1.7
709.33954	100.0
710.34369	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.9
51.02387	2.0
53.03948	7.9
55.01872	0.5
55.05511	1.2
57.07061	0.4
67.05508	3.6
69.07075	1.2
69.08547	1.4
69.08971	2.0
73.06546	0.5
77.03928	1.7
79.05474	1.4
81.03412	1.0
81.07059	4.7
83.04977	1.4
91.05478	1.6
93.07050	3.5
94.06676	0.3
95.04972	9.4
95.08604	3.5
98.98495	0.7
105.03394	100.0
105.04536	4.4
105.07020	2.9
106.03706	2.5
107.08598	3.3
108.82565	0.4
109.02922	0.5
109.10144	4.3
110.10458	0.5
117.07036	0.9
119.08567	2.4
120.01582	0.4
121.10155	3.7
123.11697	0.8
125.31843	0.4
131.08559	1.4
133.10135	2.1
135.11725	0.9
137.09631	0.5
143.08603	0.7
145.10136	3.5
147.11697	1.4
149.09615	0.8
149.13271	2.2
155.10637	0.4
157.10118	0.5
159.11708	2.9
161.13293	1.4
173.13185	0.6
175.14882	0.9
177.16414	0.5
189.16351	1.0
191.17946	0.7
201.16396	6.7
202.16794	0.4
203.17854	0.4
219.17442	6.8
240.30119	0.4
251.64528	0.4
291.10229	0.4
299.14911	0.4
397.12473	0.5
437.18524	0.4
467.37201	0.8
489.19052	0.8
491.20746	0.7
503.20175	0.9
531.25720	0.5
555.31116	0.7
557.29700	0.4
569.24884	0.6
571.30396	0.7
585.32043	0.8
586.32910	0.4
587.33777	2.2
611.45874	0.9
691.36237	12.7
692.36401	2.4
709.36597	6.2
710.37280	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	0.8
53.03951	1.8
53.05537	0.4
55.05511	2.0
55.95238	0.5
65.03935	5.0
67.05510	8.7
68.05830	0.7
68.46056	0.5
68.99776	0.7
69.03426	8.8
70.60889	1.2
71.01362	1.4
79.05473	0.9
80.79854	0.5
83.04986	20.0
84.05293	0.6
85.02915	5.7
87.00835	1.1
89.03923	6.4
90.04256	0.8
91.05483	9.3
93.03409	7.4
95.04359	1.0
95.04972	18.4
96.18517	0.5
99.00819	19.9
101.05990	0.6
107.04962	6.9
111.04444	29.2
112.04777	0.6
117.01862	4.7
117.03378	7.4
118.03722	1.1
119.04089	1.1
119.04946	21.7
119.57694	0.5
121.02869	4.7
123.04462	1.3
129.05482	14.0
131.58331	0.5
135.03366	0.8
135.04420	16.9
136.04781	2.0
139.03900	11.2
145.02856	11.0
146.03172	1.2
147.04413	100.0
147.06427	3.1
148.04765	2.4
157.03703	0.6
157.04979	12.2
163.03909	90.8
164.04240	13.1
165.07022	0.8
175.06012	5.3
183.08052	1.3
203.03445	1.1
207.08061	3.4
209.04440	0.7
211.07507	0.7
217.06868	1.1
221.06078	0.6
227.05428	4.0
229.08627	2.8
235.07573	6.2
236.08099	0.6
239.07051	1.3
245.06577	1.9
253.08543	3.4
255.05045	0.6
263.04321	0.9
263.07031	12.9
264.07458	0.7
267.06580	1.4
273.06052	39.4
274.06430	1.7
278.37076	0.7
279.06522	0.7
281.08102	8.8
282.08502	0.7
291.06570	3.7
303.08698	0.9
309.04413	0.6
309.07614	9.9
310.07755	0.9
319.08102	0.6
321.09644	1.4
327.08554	2.3
337.09158	1.3
339.10806	1.4
339.22647	0.5
371.16492	0.6
377.08728	0.7
397.50436	0.5
401.10776	0.9
429.10275	0.9
447.11368	11.2
448.11664	1.1
483.12906	12.7
484.13043	0.9
501.13672	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.2
51.81693	0.1
58.95807	0.2
63.02391	0.3
65.03926	1.1
67.05498	0.2
69.58682	0.4
69.59087	0.8
70.49315	0.2
79.05511	0.7
83.04988	0.5
88.46529	0.2
89.03908	4.1
91.05479	9.1
92.05788	0.2
93.03409	0.2
95.04974	0.7
99.00822	0.2
103.05933	0.2
107.04951	1.1
111.04443	0.7
117.03384	5.7
119.04939	21.7
120.05268	0.7
121.02886	0.5
127.82299	0.2
129.05492	0.4
131.76804	0.2
135.04413	11.5
136.04724	0.3
145.02852	7.7
145.03923	0.4
147.04402	100.0
148.04738	3.4
157.04909	0.2
163.03894	63.2
164.04218	2.6
165.05476	0.6
181.04929	0.3
253.25893	0.2
267.06528	0.2
273.05997	0.5
303.08551	0.6
309.07367	0.7
319.08145	1.0
321.09741	1.0
337.09155	1.0
339.10803	1.2
355.10086	0.2
483.12845	6.4
484.13007	0.7
678.38513	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.6
55.05510	1.6
57.03436	0.4
65.03941	4.3
67.05507	4.9
68.99804	0.6
69.03433	3.6
69.48409	2.2
74.88898	0.4
79.05489	0.5
83.04985	13.9
85.02912	4.5
86.85119	0.4
87.00864	0.7
89.03916	3.4
91.05483	8.5
93.03416	7.8
95.04941	3.7
99.00819	4.2
107.04940	2.6
111.04449	22.2
112.04799	0.8
115.03963	0.5
117.01897	1.1
117.03391	4.4
119.04949	22.9
120.05265	0.5
121.02876	4.2
129.05484	10.0
129.68181	0.4
135.04425	11.5
136.04741	0.8
139.03909	15.0
145.02855	7.7
147.04416	100.0
148.04739	3.1
149.82806	0.5
157.04984	12.8
158.05319	0.5
163.03912	58.7
164.04224	3.1
165.05566	0.5
165.07034	0.9
175.06033	11.0
183.08038	0.4
189.90599	0.4
193.06912	0.4
207.08037	1.6
211.07634	0.8
229.08545	1.9
235.07582	3.9
239.07098	0.5
245.06265	0.5
253.08562	1.8
263.07050	5.7
273.06058	8.4
274.06329	0.6
281.08115	5.1
291.06488	1.7
303.08566	0.5
309.07571	5.2
310.08109	0.4
321.09479	1.2
327.08499	1.4
337.09091	1.3
339.10532	1.8
406.05908	0.4
447.11386	7.3
448.12234	0.6
483.12851	9.3
484.12830	0.8
501.13751	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47021	0.6
53.03938	1.3
55.01870	1.6
55.05510	6.3
57.03425	1.2
63.84738	0.6
65.03942	13.9
67.05503	17.3
68.99772	1.2
69.03072	1.3
69.03428	12.7
70.85810	1.7
83.04982	62.1
84.05290	1.5
85.02908	20.5
87.04456	2.4
89.03921	1.6
91.05485	5.2
93.03407	38.3
94.07648	0.7
95.04966	6.9
97.02866	0.8
99.00818	6.6
101.06026	1.3
107.04952	7.9
109.02908	1.0
111.04442	100.0
112.04774	1.5
113.02365	1.4
115.03926	1.9
117.01888	3.8
117.03399	1.0
119.04942	8.6
121.02868	21.4
123.04404	1.1
126.01261	0.7
129.05479	48.0
130.05817	1.1
135.04413	4.7
137.02374	0.7
139.03900	70.5
140.04222	1.7
144.08073	3.0
145.02895	2.3
145.08459	1.2
147.04404	21.1
147.06433	1.6
148.04694	0.9
157.04965	68.1
158.05342	1.9
159.04443	1.0
163.03915	15.1
165.06993	2.6
175.06021	87.1
176.06361	3.1
178.43117	0.8
183.08002	3.4
193.07243	0.7
203.03490	1.6
207.08069	6.3
208.08243	0.8
211.07570	2.6
217.06750	1.5
221.05951	0.9
227.05568	1.0
228.07803	0.9
229.08575	6.7
235.07521	14.6
239.07062	0.8
253.08600	7.7
263.07028	27.5
264.07449	1.7
267.06696	0.9
273.06046	40.9
274.06406	1.9
281.08087	26.1
281.11136	1.6
282.08289	1.5
291.06537	7.7
292.06784	1.0
309.07571	24.7
310.07880	1.8
321.09851	1.1
327.08585	8.2
335.31018	0.7
337.09042	1.0
429.09882	0.9
447.11270	18.9
448.11575	0.9
483.12823	23.1
484.13013	2.6
501.13773	6.5
699.73004	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09347	0.3
55.01865	0.3
55.05505	1.2
56.05025	0.7
57.03433	1.2
58.06616	0.4
60.07881	0.5
60.08165	6.5
65.03927	0.5
67.05505	2.5
69.03429	0.5
69.07059	1.0
69.44938	1.4
71.04958	0.4
71.07381	3.2
74.96145	0.3
79.05489	2.7
81.03416	6.3
81.07059	3.6
83.04979	1.1
83.08615	1.6
85.02907	1.3
86.09705	29.3
87.10016	0.6
91.05476	3.3
93.07030	2.1
95.04977	2.5
95.08596	1.3
97.02875	0.6
97.06513	0.5
97.10169	0.5
98.98467	3.3
104.10739	2.2
105.07037	2.7
107.04950	0.8
107.08593	1.1
109.06522	0.6
111.04477	0.4
111.08072	0.7
117.07016	0.6
119.08571	1.8
121.06491	0.6
121.10159	1.0
123.04415	0.3
123.08006	0.4
125.00004	21.0
129.06963	1.2
131.08536	1.1
133.06476	0.5
133.10139	2.3
137.05992	0.7
137.09619	0.3
143.01083	0.4
144.08064	0.3
145.10098	0.6
147.08064	0.6
147.11662	1.4
149.09573	0.8
151.11224	0.3
153.01843	0.4
155.08646	0.3
157.10133	1.7
161.09579	0.3
163.11243	0.5
175.11115	1.2
184.07341	100.0
185.07730	1.9
185.13422	0.3
193.12224	3.2
194.12617	0.4
211.13281	2.8
253.14325	0.3
267.15900	5.8
268.16202	0.6
271.15222	0.4
283.15463	0.3
285.16953	3.7
286.17233	0.5
355.43954	0.3
385.23624	0.9
403.24698	0.4
445.25708	0.6
450.22299	0.4
459.27448	3.6
460.26807	0.3
477.28424	5.8
478.28583	0.7
495.29468	2.9
496.29947	0.4
601.81750	0.3
660.35052	8.8
661.35596	1.2
711.31018	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
55.01873	2.8
55.05509	10.4
55.84863	0.9
57.03207	0.9
57.03444	11.8
60.27886	1.1
60.86366	1.0
61.02931	1.3
67.05505	16.6
69.03419	2.8
69.07059	3.5
69.99960	4.4
71.04991	2.3
79.05492	19.0
81.03418	83.9
81.07062	19.7
82.03727	1.0
83.04967	8.6
83.08626	17.3
85.02908	10.2
85.06537	1.6
91.05484	23.5
93.07042	12.9
95.04974	27.7
95.08621	7.0
97.02885	3.3
97.06541	1.8
97.10171	4.8
105.07035	15.9
106.07295	1.2
107.04951	7.6
107.08598	4.7
109.06515	4.6
109.10145	2.7
111.04439	2.5
111.08097	8.9
113.05981	1.3
117.07009	2.8
119.04913	2.0
119.08569	15.2
121.06494	3.1
121.10133	7.9
123.08080	2.7
123.11703	1.1
125.09615	2.5
128.06203	1.1
129.07010	11.6
131.04893	1.4
131.08572	11.3
133.06476	3.3
133.10175	8.1
135.08046	1.3
137.09639	1.5
142.07748	1.4
143.08588	1.5
145.06497	4.1
145.10182	2.3
147.08060	4.3
147.11684	9.9
149.09630	5.4
157.10127	12.1
158.10454	1.3
163.11237	1.8
165.12729	2.5
171.07988	1.8
175.11203	11.4
184.07295	1.0
193.12247	33.3
197.13417	1.0
211.13274	16.4
229.14357	1.4
237.12830	1.4
238.06805	1.0
249.14899	1.7
255.13934	2.3
267.15918	100.0
268.16257	5.9
273.14819	3.9
285.16928	17.7
341.20923	2.5
349.21524	1.7
367.22644	9.5
383.85870	1.1
385.23853	9.7
403.24799	3.9
415.24911	1.4
433.25824	13.0
434.26352	1.5
441.26602	6.6
459.27432	60.6
460.27710	8.0
477.28491	35.2
478.28720	4.0
495.28879	1.7
519.29706	1.4
527.86700	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01863	6.3
55.05509	9.6
57.03247	0.8
57.03441	9.2
57.07091	1.4
57.59316	1.0
61.02921	2.0
65.03930	1.7
67.05502	39.6
69.03419	4.1
69.07071	10.5
69.09149	7.5
69.09550	1.8
71.04979	4.0
73.02913	2.3
79.05491	17.6
81.03417	35.5
81.07053	30.9
83.04971	8.4
83.08611	12.3
85.02895	4.6
85.06524	4.1
86.09721	1.5
91.03939	1.5
91.05476	29.4
92.05825	2.5
92.50923	1.0
93.07040	18.0
93.07616	1.1
95.04971	14.8
95.08610	8.1
95.14506	1.0
97.02876	3.8
97.06528	4.1
97.10184	1.5
99.04459	1.5
105.07021	21.0
106.07375	1.4
107.04945	3.1
107.08591	20.4
109.06505	4.7
109.10152	36.0
110.10533	1.7
111.04469	2.5
111.08067	4.4
113.06003	1.2
115.05363	1.2
117.07015	3.1
119.08573	9.4
121.06462	1.1
121.10151	5.0
123.08071	2.3
123.11709	6.7
125.09634	2.0
127.07569	1.6
129.05473	1.3
129.07021	5.3
131.08571	7.4
133.06502	1.9
133.10124	44.4
134.03464	1.0
134.10455	1.9
135.08041	1.6
135.11684	3.3
137.06013	1.2
137.09610	2.5
145.10068	2.8
145.35864	1.1
147.11714	5.6
149.09650	3.0
151.11172	21.1
157.10127	5.3
161.09656	1.5
163.11203	1.9
169.12263	3.7
173.11714	1.5
175.11172	4.5
179.10678	2.2
184.07306	3.0
191.10739	1.3
193.12221	15.8
194.12593	1.7
209.11716	2.9
211.13275	4.2
227.12686	1.3
229.14355	2.1
253.14339	100.0
254.14639	6.5
256.16116	1.3
267.15912	42.5
268.16290	3.6
269.17429	4.1
271.15405	26.2
272.15659	1.9
283.15561	2.3
285.16949	4.7
301.16507	2.4
389.23257	1.8
423.27261	1.5
437.25143	3.5
443.18591	1.3
445.25793	20.1
446.25974	3.0
459.27759	1.2
463.26874	51.8
464.27124	6.9
465.20801	3.1
477.28165	3.3
495.29330	11.8
496.29434	1.6
505.28238	1.4
513.29675	2.3
710.34839	6.3
711.35950	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25041	0.7
53.03930	2.0
55.01876	1.4
55.05516	10.0
57.03437	10.2
57.07084	0.9
65.03938	3.2
67.05505	51.0
68.05844	1.8
69.03431	1.5
69.07074	9.4
71.05000	1.5
79.05493	31.2
79.42116	0.8
81.03423	2.1
81.07059	35.0
82.07395	1.5
83.04976	4.1
83.08607	3.8
85.02939	0.9
85.06529	1.7
91.05482	83.0
92.05796	2.1
93.07044	30.8
95.04978	4.5
95.08604	27.4
96.08953	1.0
97.06541	1.7
97.10188	2.0
98.22650	1.9
98.23293	1.7
99.08064	1.0
105.07028	37.9
107.08601	15.8
109.06539	1.1
109.10157	11.3
110.10552	1.0
111.04417	1.2
117.06997	6.0
119.08590	9.5
121.10137	11.5
123.08044	1.4
123.11720	4.0
125.09660	0.9
127.24473	0.9
128.06238	2.6
130.59961	0.8
131.08594	9.5
133.10130	92.6
134.10463	2.7
135.11697	9.9
137.13249	1.9
143.08585	6.1
145.10130	3.7
147.11673	4.1
149.09625	1.0
149.13280	2.0
151.11148	4.4
157.10168	1.1
159.08128	0.9
159.11710	2.9
161.09612	14.1
161.13223	2.4
163.11104	0.9
163.14839	1.2
173.13268	2.1
175.14876	1.4
179.10648	2.2
184.07372	1.5
187.14865	1.8
194.07813	0.8
197.11723	2.6
243.21080	1.6
251.12865	1.4
253.14337	53.8
254.14719	2.1
261.22092	7.1
317.24734	2.6
335.25800	100.0
336.26102	9.4
403.30042	0.8
513.35718	67.8
514.35858	7.5
531.36945	1.2
548.40015	1.7
710.42682	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.5922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	30.1
57.07074	23.4
65.03945	3.2
67.05500	40.2
68.05827	3.3
69.07069	50.1
71.08630	10.4
79.05488	19.6
81.07063	64.4
83.08614	31.1
86.09708	82.8
91.05470	16.7
93.07044	28.7
95.04957	3.3
95.08608	100.0
95.17266	3.0
95.30737	3.3
96.08949	4.6
97.06538	4.7
97.10188	29.6
98.22563	7.7
105.03374	9.1
105.07034	12.0
107.08600	45.6
109.10158	90.7
111.08073	8.0
111.11736	9.8
113.09652	29.7
117.07002	5.0
119.08567	18.1
121.10155	38.5
123.11713	60.6
125.13293	4.6
127.11164	4.6
131.08676	3.6
132.10213	41.4
133.10103	16.8
135.08002	5.1
135.11687	35.5
137.06046	4.4
137.13255	88.1
145.10127	4.7
147.11693	9.3
149.13287	13.9
151.14868	20.1
153.09145	11.6
153.12729	5.0
159.11578	3.8
161.13239	6.0
163.11183	8.1
163.14833	10.8
165.16417	7.6
173.13443	3.9
175.14824	5.7
177.12766	7.3
177.16400	12.9
179.10692	5.6
179.14264	5.7
179.17955	16.9
181.12283	11.1
189.16519	4.0
195.13658	4.3
201.16322	3.9
214.47809	3.6
219.21091	7.0
221.22507	3.7
229.61409	4.2
238.66876	3.2
266.17542	13.6
268.19168	4.8
294.20798	9.8
373.31042	4.2
460.37799	7.6
493.32663	4.3
499.48911	5.0
502.42355	5.6
507.45721	5.6
525.46515	24.1
526.47180	5.1
530.45880	4.1
543.47839	35.0
544.47321	5.5
595.47089	11.8
612.46991	6.9
638.54919	4.9
710.45380	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
55.05513	8.1
57.03439	0.5
61.02928	1.0
64.57540	0.4
68.99784	1.2
69.03429	1.7
69.22924	0.9
69.23328	2.4
71.04990	1.8
77.27246	0.4
83.04981	70.8
84.05306	1.4
85.02923	2.9
96.76999	0.4
97.02882	0.7
109.02892	0.9
111.00804	1.7
111.04442	60.3
112.04790	1.2
113.61339	0.4
116.01939	0.4
123.04454	0.4
127.03911	0.9
129.05492	4.7
137.02342	2.0
137.05933	0.8
139.03893	0.7
145.05009	0.6
147.04419	0.5
153.01833	9.3
153.03067	0.5
153.05429	0.6
161.06068	0.5
165.01842	2.6
166.02541	0.6
171.06517	16.8
172.06894	0.4
179.03378	1.3
183.02812	0.8
189.05536	1.0
193.01218	0.5
195.02850	0.7
203.03397	0.7
207.02887	0.5
217.04929	3.5
220.03198	0.4
231.02859	0.4
231.08623	4.8
232.09053	0.4
245.04491	3.8
255.02997	0.6
257.04388	0.5
259.06119	0.7
263.05386	0.5
273.03928	4.1
279.07242	0.4
290.04190	1.1
294.11096	0.5
301.03305	1.4
319.04474	100.0
320.04803	6.8
346.18250	0.6
481.09961	0.5
598.56702	0.5
681.22333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.1
55.05521	2.0
57.03438	5.7
59.04995	0.6
61.02929	0.6
65.03909	0.5
67.05492	0.6
68.26917	0.3
68.99762	0.8
69.03432	4.1
70.10059	0.6
70.10436	0.5
71.01345	1.0
71.04993	29.4
72.05326	0.4
72.76694	0.3
73.02912	3.4
74.80510	0.4
75.04485	2.4
76.60801	0.3
79.05491	0.5
81.03424	0.9
81.07071	0.4
83.04977	8.0
83.68758	0.4
85.02905	37.2
86.03242	0.7
87.04454	1.1
95.04979	1.6
97.02890	3.1
97.06528	1.1
99.04453	1.5
100.11224	0.7
101.06000	0.5
103.03968	0.5
107.04956	0.7
109.02885	0.9
109.06525	0.5
110.03511	0.3
111.00828	0.5
111.04440	6.9
113.06002	1.4
115.03946	2.9
117.05486	1.3
121.02856	4.4
123.04410	0.7
125.05943	0.4
127.03907	1.1
129.04497	0.6
129.05476	12.5
133.02835	0.5
133.04926	0.5
135.04436	0.6
137.02341	0.6
137.06007	0.6
139.03905	1.2
147.04366	0.5
147.06511	4.8
151.03726	0.3
153.01843	3.1
153.05457	1.4
157.04951	1.0
157.06436	0.5
159.06528	0.3
163.06010	1.6
165.01840	1.5
171.06525	1.0
179.07068	0.4
183.02856	1.0
183.06532	0.8
185.05974	0.3
195.06538	0.7
201.07646	0.5
213.05470	1.3
213.07428	0.6
225.07605	0.9
231.06718	0.6
239.09183	2.8
239.11429	0.5
241.04980	1.3
243.08636	0.8
245.00128	0.3
257.10260	0.9
258.05264	0.7
258.29022	0.4
259.06033	0.6
269.04675	0.4
275.11282	1.3
279.10709	0.5
286.04538	0.5
287.05490	100.0
288.05823	6.4
293.12350	0.4
299.05457	4.5
300.06229	1.1
311.05527	1.0
313.07031	0.9
323.05475	0.6
325.07037	1.4
329.06482	5.4
337.07050	1.4
341.06592	0.6
353.06488	4.3
365.06485	1.6
373.13812	1.0
379.07925	1.1
383.07651	4.6
397.09140	1.5
401.08624	2.5
409.37247	0.5
415.10037	0.5
419.09741	6.7
433.11295	1.5
511.12225	0.5
525.83514	0.4
565.15356	1.9
679.50409	0.6
730.11768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
55.05511	2.1
55.87194	0.5
56.96569	0.6
57.03438	1.7
59.13527	0.5
61.02919	1.3
67.05238	0.5
67.05514	5.3
69.03443	0.7
69.07057	0.8
69.21969	4.4
71.04993	0.6
81.03415	4.0
81.07075	3.9
83.04989	1.4
83.08616	1.0
85.02892	1.5
91.05476	2.7
93.07050	3.6
95.04985	1.6
95.08611	1.7
97.02902	1.2
105.07055	2.1
107.04951	0.9
107.08585	2.4
109.06496	0.6
109.10156	3.6
111.08133	0.6
117.07073	0.7
119.08590	1.9
121.06521	0.8
121.10184	1.4
131.08560	0.8
133.06439	0.6
133.10139	2.4
134.10529	0.6
135.11679	0.9
145.10115	1.3
151.11218	0.9
163.11195	1.1
183.45895	0.6
190.34137	0.6
193.12344	0.8
209.11797	1.0
218.66739	0.7
229.14629	0.8
230.33409	0.6
246.33023	0.6
249.10933	0.6
253.14360	3.8
254.14775	2.2
257.07425	0.6
267.09106	2.0
267.15906	1.4
269.17331	0.6
271.15326	1.4
283.08524	0.8
283.15155	0.9
285.10156	1.4
301.09164	1.6
385.18661	0.8
438.25531	0.7
453.17239	0.6
463.26514	0.8
464.27258	1.7
467.19037	1.3
478.28171	0.7
483.16516	0.7
485.17709	0.9
496.29651	1.7
501.16513	0.7
539.20093	0.7
581.28900	0.6
639.29858	1.3
665.31531	0.8
693.30719	1.7
711.29907	100.0
712.30176	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.01872	2.5
55.05522	3.4
57.03435	3.9
59.05003	0.7
61.02929	5.3
67.05511	9.0
68.05843	0.8
69.03442	2.4
69.07067	1.7
70.90508	1.1
71.01391	0.7
71.04995	1.4
73.02916	4.3
76.45824	0.6
81.03429	5.0
81.07066	6.0
82.07403	1.0
83.04980	1.7
83.08617	2.4
84.08942	0.6
85.02911	5.7
85.06590	0.8
86.09716	0.8
87.04500	0.7
91.03958	4.0
91.05474	6.0
92.05877	0.6
93.07052	5.8
95.04987	3.0
95.08614	4.2
97.02889	6.0
97.06550	1.5
97.10160	1.5
99.04457	1.3
101.02406	1.4
105.07039	3.6
107.05013	1.0
107.08603	3.9
108.08894	0.6
109.02909	1.5
109.06557	0.9
109.10159	3.5
109.38111	0.6
110.05776	0.6
110.10522	0.8
111.04453	0.6
115.03956	0.6
117.07039	1.1
119.08585	2.2
121.06511	1.3
121.10174	2.4
123.11749	0.7
125.09677	1.2
127.03912	1.4
129.05518	2.2
129.07054	1.5
131.08591	1.6
133.10149	2.7
134.10544	0.7
135.08044	0.6
135.11703	2.6
139.11224	1.0
144.72731	0.6
145.05008	0.8
145.10161	1.4
147.11693	2.2
149.09622	0.8
151.11252	0.8
153.12898	0.7
157.10191	0.6
158.21808	0.6
161.06078	0.6
161.13356	0.7
163.11192	3.7
164.46960	0.6
171.11702	0.7
173.11832	0.6
175.11139	0.7
181.04782	1.2
184.07413	0.7
185.04216	4.7
193.12230	1.7
199.05841	0.8
199.13269	0.8
201.03748	1.4
209.07961	0.8
209.11784	0.9
227.12813	2.5
229.14403	1.1
231.10022	0.9
241.06992	0.9
243.08420	6.9
247.13127	0.7
249.11000	14.9
250.11394	0.8
251.12645	1.6
253.14476	2.0
254.14749	1.2
267.08829	0.9
267.16028	2.0
268.16473	1.0
269.17599	0.7
275.12555	2.8
285.10184	0.8
285.17206	0.8
289.14063	3.4
301.08975	12.8
302.09753	0.7
305.13699	1.1
313.09094	0.6
315.10535	3.9
317.05182	0.7
329.12094	0.7
341.12259	1.4
343.13443	1.2
347.14621	6.9
353.84772	0.6
357.15390	0.9
365.15735	2.7
371.16937	3.1
373.11087	7.1
383.16898	4.7
385.18381	7.0
387.12704	1.8
388.38318	0.6
393.15167	6.9
401.14102	1.0
415.15714	1.0
423.27628	0.7
424.27551	1.0
431.23926	3.0
439.19327	0.8
443.18900	7.9
444.19427	0.7
457.20520	1.8
463.27530	0.8
464.27399	2.2
465.20920	4.8
467.18884	14.4
468.19260	1.6
469.20691	1.5
471.21930	1.1
477.24588	1.3
483.18536	1.0
487.21616	2.3
496.29462	1.4
526.20288	8.2
527.28558	0.8
539.20874	9.4
540.20728	0.8
553.22894	2.2
554.24780	0.8
567.24622	3.1
581.29193	1.9
609.28967	7.0
610.29596	9.4
611.29468	1.3
639.29828	2.6
649.31415	0.8
651.30023	1.3
665.31757	2.0
667.32971	1.5
693.31378	2.2
694.31390	1.1
711.33246	100.0
712.33527	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73510	0.7
53.03942	1.0
53.10670	0.6
55.01881	2.3
55.05505	3.4
57.03430	4.5
57.07076	0.9
59.05011	1.0
61.02932	6.8
62.56346	0.7
67.05497	7.1
69.03442	2.8
69.07066	2.2
69.73154	0.7
70.46454	2.3
71.05003	1.0
73.02917	5.1
80.05865	0.8
81.03426	4.6
81.07055	6.3
83.01089	1.4
83.04981	2.2
83.08640	2.8
85.02914	8.6
87.04484	0.9
91.03961	4.9
91.05469	5.0
91.34621	0.8
93.07041	5.3
95.04990	1.5
95.08617	2.5
95.72974	0.7
97.02881	6.5
97.06551	1.3
97.10182	1.7
99.04447	1.8
101.02400	1.9
105.07037	2.7
107.04955	1.0
107.08609	3.5
109.02890	1.3
109.06531	1.0
109.10137	4.0
111.04427	1.1
111.08076	1.6
117.05562	1.3
117.07069	0.9
119.08611	2.1
120.51147	0.9
121.01451	0.8
121.06511	1.1
121.10166	1.9
123.04323	0.9
125.09637	1.7
127.03951	3.4
129.05533	3.4
131.08606	1.5
133.10124	1.3
135.11699	1.9
137.56508	0.8
145.04988	1.6
145.10126	1.7
147.11737	1.4
149.09610	1.1
156.04007	1.1
157.08673	0.9
163.06372	0.8
163.11224	3.3
175.11180	0.7
181.04738	1.5
185.04195	9.5
199.05792	1.2
199.11453	0.7
199.13310	1.6
201.03839	2.7
209.11746	1.6
229.14490	1.6
230.14780	0.9
241.06918	1.4
243.08331	6.5
249.11099	2.5
259.08087	1.1
269.17590	1.6
270.17969	1.6
275.12708	1.1
283.15424	1.6
289.13983	1.1
291.15933	1.2
301.08942	20.2
301.16382	0.8
302.09421	1.3
302.16864	0.9
307.78391	0.8
313.09030	1.2
315.10550	6.1
319.15277	1.1
327.10632	3.3
341.12234	2.2
347.14865	2.4
355.13727	1.3
357.15155	1.7
365.15860	2.7
365.28461	0.8
369.15231	2.2
371.16721	1.1
372.78506	0.7
373.10983	10.7
383.16940	2.5
385.11801	0.7
385.12888	0.9
385.18277	11.7
385.27612	0.7
386.18768	1.4
387.12714	2.4
393.15579	1.5
399.12769	1.5
401.14285	1.6
411.19980	1.6
415.16089	1.6
424.27780	0.8
429.17398	5.4
431.24286	1.2
432.65372	0.9
439.19092	4.2
443.18936	1.2
455.19006	3.0
457.20755	2.4
461.19287	1.8
465.21375	0.9
467.18896	18.9
468.19467	1.9
469.20731	2.4
470.21512	2.6
471.22205	1.0
482.21338	0.9
483.18439	1.8
485.19299	1.6
489.19424	1.2
497.19821	5.7
498.20370	3.9
502.20694	1.2
511.21732	2.4
513.26892	2.5
521.21729	2.2
525.22791	1.5
539.20575	6.4
553.21918	1.5
567.25024	2.4
581.29437	18.5
582.30005	4.4
609.28796	6.1
610.29578	2.0
621.26697	1.8
637.31940	1.0
639.29797	3.6
651.29266	1.5
665.31647	3.5
666.31818	1.7
693.31140	4.5
694.31744	2.4
711.32434	100.0
712.32501	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
55.05521	4.8
57.07094	1.4
67.05502	9.2
69.00973	8.3
69.07056	6.9
77.03907	1.0
77.37597	0.9
79.05506	4.7
81.07054	10.2
83.01083	0.8
83.08633	2.1
91.05473	10.8
93.07054	8.7
95.04977	3.9
95.08612	18.4
97.10185	1.2
97.62598	1.0
105.03392	27.3
105.04491	1.8
105.07031	25.7
107.08598	9.8
109.10153	18.2
117.07028	1.9
119.08582	23.9
120.08891	1.1
121.10138	7.7
123.11697	8.6
131.08574	3.7
133.10136	19.2
135.11700	2.9
143.08524	1.0
145.10144	3.5
147.11685	24.9
148.12148	0.9
149.13312	2.4
156.91859	0.9
159.11707	3.8
160.12457	1.2
161.13231	10.8
175.11298	1.2
175.14862	2.2
179.08607	2.4
182.07346	1.4
196.08875	1.0
197.09616	1.5
201.16449	1.5
203.17952	100.0
204.07825	2.3
204.18393	4.0
207.08151	2.6
210.06715	2.1
211.11147	0.9
221.06036	3.4
223.07634	1.9
224.08371	1.6
225.05548	1.2
225.09151	2.6
235.07610	2.9
236.08316	1.6
237.09207	1.4
238.06339	1.4
239.06911	1.4
239.10756	2.5
249.05396	1.8
250.06213	1.9
251.06892	2.1
252.08003	1.9
253.08525	5.1
254.09248	1.8
255.10147	1.9
256.07159	1.5
263.06989	1.9
264.07684	1.4
265.08591	2.0
266.05731	2.8
266.09323	1.9
267.06421	1.8
267.10156	3.9
268.07278	1.0
270.05252	1.4
271.06027	1.5
277.21753	1.2
278.09235	1.0
279.06519	1.9
281.08023	11.1
282.09033	2.8
283.06409	2.0
283.09702	4.2
284.06702	1.4
285.07864	1.0
285.11194	2.0
289.08203	1.1
293.07983	6.9
294.08804	1.8
295.06161	2.0
295.09680	3.5
297.07904	1.0
297.11172	2.6
298.08429	1.4
299.05579	2.1
301.07120	1.6
307.09708	2.7
309.07639	4.3
310.08279	2.6
311.09134	16.6
312.09842	1.9
313.07269	2.1
313.10739	4.3
314.07870	2.6
315.08716	1.7
321.11450	1.5
324.09824	1.6
325.10760	13.7
327.08740	1.8
328.09366	2.9
335.09192	2.6
339.12405	2.5
341.10211	5.0
343.11783	31.7
344.12222	3.5
363.12350	1.5
367.11734	11.4
385.12872	10.9
399.14392	1.9
407.15024	2.1
413.15503	1.5
423.96155	1.1
437.16025	2.7
507.16553	2.1
557.28400	1.6
571.30499	2.2
589.31616	4.7
613.47931	1.3
711.49408	1.2
733.00787	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
55.01876	0.9
55.05515	2.7
57.03432	2.5
61.02931	4.5
65.03932	0.5
67.05503	8.3
68.05849	0.9
69.03420	3.2
69.07076	2.2
71.01363	0.4
71.04994	1.3
71.30967	0.7
73.02922	2.9
76.81174	0.4
79.05914	0.6
81.03416	4.6
81.07059	6.4
82.07419	0.7
83.04983	2.0
83.08643	1.6
85.02911	4.4
85.06557	0.6
85.67778	0.4
87.04486	0.6
91.03970	2.3
91.05482	5.8
93.07046	6.6
94.07396	0.8
95.04966	2.1
95.08604	3.2
97.02905	3.5
97.06570	1.8
97.10190	0.6
99.04478	1.0
99.08117	0.6
101.02428	1.8
105.04533	0.5
105.07024	3.5
107.05003	1.0
107.08577	2.7
108.08957	0.5
109.02922	0.8
109.06557	0.9
109.10139	2.8
110.10529	0.8
111.08091	1.1
117.07023	0.9
119.08593	3.2
121.10149	2.7
123.08108	0.8
125.09690	0.5
127.03928	1.1
129.05513	0.4
129.07065	1.7
131.08604	1.8
133.10182	1.8
135.08102	0.7
135.11766	1.2
137.09570	0.5
139.11205	0.9
143.08543	0.6
144.25380	0.4
145.10173	0.9
147.11742	1.8
149.09669	1.4
157.10150	0.6
161.09718	0.4
163.11229	0.7
171.11771	1.1
173.09743	0.4
173.11815	0.6
175.11234	0.8
175.57877	0.4
181.12273	0.5
185.04282	0.4
193.12332	1.4
193.59993	0.4
199.13231	0.5
207.13834	0.6
211.13283	0.5
229.14516	1.3
243.08372	2.6
247.13220	1.0
251.12590	0.5
267.16086	1.3
268.16348	0.6
268.63843	0.4
269.13751	1.4
269.17654	1.1
270.17987	1.2
283.15527	0.9
284.15942	0.6
285.10382	0.5
301.09192	1.1
303.15967	0.7
424.28000	1.4
438.25876	0.8
443.18951	4.1
447.27496	0.6
465.21002	9.7
465.27106	0.7
466.21414	0.8
467.19177	1.0
469.20715	1.4
487.21509	4.2
495.29211	0.7
496.30020	1.8
549.30072	0.6
639.30359	1.9
667.32886	2.2
693.34698	1.8
711.35718	100.0
712.36066	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.0
54.65737	0.4
55.01875	0.8
55.05517	2.4
57.03194	0.4
57.03442	2.5
59.05011	1.0
61.02934	4.2
64.14359	0.4
67.05508	7.2
69.03429	4.5
69.07078	1.2
71.01403	0.6
71.05005	1.6
71.30396	0.6
73.02915	3.5
74.29837	0.4
81.03426	4.6
81.07059	5.3
83.04963	2.2
83.08634	1.6
85.02908	5.8
85.06563	0.9
87.04458	0.6
91.03952	3.2
91.05480	5.6
91.05988	0.4
93.07059	4.4
94.57542	0.5
95.04999	1.7
95.08635	1.7
97.02908	4.6
97.06550	1.0
97.10187	0.6
99.04490	1.5
101.02373	2.0
103.03947	0.5
105.07036	4.1
105.07573	0.4
107.04982	1.9
107.08575	2.0
109.02873	0.9
109.06540	0.7
109.10159	3.9
111.08102	0.7
113.06006	0.5
119.08578	2.8
121.06559	0.7
121.10129	2.1
123.08164	0.6
123.11781	0.6
127.03954	1.9
129.07039	1.2
131.08597	2.0
133.10126	2.6
135.11754	1.0
137.09662	0.6
145.10144	1.0
147.11749	1.6
149.09686	1.5
157.10208	1.5
163.11261	0.9
173.11806	1.0
175.11249	1.3
184.07390	0.8
193.12323	1.5
199.13292	0.6
203.05360	0.6
229.14410	0.8
233.11597	0.8
243.08591	1.8
256.65564	0.5
267.16089	1.3
269.17410	0.6
270.17953	0.6
283.15244	4.0
284.15909	0.5
301.09192	0.5
356.10040	0.5
413.17871	2.7
451.19418	8.2
452.19925	0.7
457.20413	0.5
467.18875	2.2
469.20667	0.7
501.23038	6.6
501.29749	0.5
502.23535	0.9
505.31049	0.5
549.30750	0.6
639.29895	17.6
640.30548	1.5
665.31995	1.6
667.33270	0.6
693.33771	0.7
711.35590	100.0
712.35907	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28719	0.8
50.53594	0.7
53.03939	1.3
55.01860	1.6
65.03936	8.8
67.05487	3.1
68.99797	1.0
69.03421	3.9
69.07060	1.8
71.05004	1.2
75.10113	1.1
79.05486	5.5
81.06583	1.4
81.07059	24.8
83.04992	1.7
90.20267	0.9
91.05470	4.2
93.03403	2.0
93.07040	5.1
95.04967	6.8
95.08614	8.8
97.02910	3.8
97.06514	2.6
98.22453	1.5
99.04482	4.4
105.07038	5.9
107.08591	3.3
109.02837	1.5
109.06524	17.2
111.04443	2.3
111.08092	2.4
115.05449	1.1
117.06998	2.7
119.08575	5.6
121.02865	96.8
121.06508	3.3
122.03197	3.1
123.08058	11.1
128.06207	2.2
129.07022	5.7
131.04903	2.0
131.08562	3.6
133.06480	5.4
133.10104	2.7
135.08054	2.6
137.05974	33.4
139.07555	1.3
141.07018	3.1
142.07732	1.5
143.08562	6.7
145.06482	10.9
145.10110	2.1
147.08049	5.2
149.05965	2.2
151.07544	4.0
153.06996	2.5
154.07747	1.6
155.07152	2.0
155.08537	6.0
157.06468	3.0
157.10132	3.0
158.07219	1.8
159.08073	5.0
161.05978	2.0
161.09627	1.7
163.07530	2.8
165.07025	3.7
166.07782	1.5
167.07040	1.8
167.08545	4.0
168.09288	0.9
169.06494	3.7
169.08731	1.6
169.10170	3.4
171.08032	11.1
171.11627	1.2
173.05988	2.7
173.09637	3.4
175.07478	2.2
177.09094	2.3
178.07794	2.6
179.08450	4.7
180.09367	1.4
181.06447	1.8
181.10095	3.2
182.07355	1.7
183.08072	12.4
183.11595	1.7
184.08740	2.1
185.05978	1.3
185.09587	5.5
187.07553	1.6
187.11115	1.1
189.09114	1.9
190.07797	1.1
191.08629	1.8
192.09279	2.4
193.08583	1.2
193.10205	5.6
194.07193	1.6
195.08061	7.9
195.11707	2.9
196.08893	2.5
197.06136	1.2
197.09601	5.7
199.07509	5.3
199.11148	2.7
201.09029	2.0
202.07809	3.2
203.08534	3.5
204.09341	2.9
205.10152	5.1
206.10814	2.0
207.08037	3.7
207.11702	4.7
208.08797	2.3
208.12314	1.1
209.09605	8.6
209.13177	1.9
210.10355	1.8
211.07545	3.3
211.11153	4.8
213.09132	3.1
215.08568	2.2
215.10573	1.3
216.09453	1.5
217.10109	5.5
218.10858	2.8
219.08066	3.0
219.11754	5.5
220.08801	4.9
220.12308	1.1
221.09665	9.0
221.13208	3.2
222.10368	2.1
223.07489	1.2
223.11252	5.9
225.09148	3.1
225.12762	3.2
227.10641	1.9
228.09154	1.6
229.10147	2.5
230.10936	2.2
231.08055	2.1
231.11769	4.3
232.08844	2.5
232.12396	2.3
233.09636	9.8
233.13264	4.1
234.10303	3.2
235.11195	14.1
236.11821	4.0
237.09132	5.3
237.12727	6.2
239.10527	2.4
239.14256	2.0
242.10820	3.4
243.09914	2.1
244.12393	1.2
245.09659	7.7
245.13283	1.8
246.10349	6.6
247.11125	7.0
247.14879	4.0
248.11964	2.0
249.09111	2.8
249.12756	7.5
250.13364	1.6
251.10640	3.1
251.14337	4.1
253.12245	3.4
257.13214	4.2
258.10416	1.3
258.13907	1.5
259.11130	7.0
260.11990	5.0
261.09134	1.9
261.12830	9.9
262.09796	1.7
262.13239	1.4
263.10779	10.2
263.13837	4.8
264.11426	3.2
265.08630	1.6
265.12253	4.0
265.15863	2.7
267.10013	1.6
267.13916	2.2
269.11761	2.1
270.10370	1.8
271.11096	1.7
271.14926	1.0
272.11859	1.0
273.12744	3.5
274.13333	1.8
275.10886	1.8
275.14255	14.9
276.14828	2.0
277.12219	5.1
277.15836	4.1
278.12735	1.2
279.10281	2.0
279.13763	5.1
281.11719	8.3
281.14682	1.1
284.11826	1.4
285.12796	7.8
286.13354	1.9
287.10699	2.1
287.14142	1.4
288.11459	1.5
289.12241	3.0
289.15698	2.1
291.13776	2.6
291.17206	1.4
292.14307	1.2
293.12125	1.4
293.15295	8.3
295.09900	1.1
295.13345	2.7
295.16965	1.1
299.12991	3.3
301.12283	1.3
301.15823	1.7
303.13803	13.0
304.14517	1.3
305.11707	3.6
305.15170	2.0
306.12317	1.4
307.13199	2.5
309.11182	3.1
309.14804	1.3
315.13696	1.6
317.15222	2.1
319.13193	2.6
319.16812	1.6
321.14886	6.1
322.15320	1.1
323.12857	3.8
325.14505	1.8
327.17343	1.1
327.42722	1.2
331.13312	1.2
333.14941	2.1
335.16422	3.3
339.15927	2.0
341.13721	2.4
345.14807	3.8
347.16400	1.8
353.17438	2.1
355.16714	1.3
357.14774	1.0
359.16373	1.5
361.14404	1.0
363.15897	5.4
363.19736	1.1
364.16153	1.8
373.18005	8.5
373.22412	1.5
374.18347	1.2
375.15643	1.3
375.19742	2.0
377.17505	3.7
381.16965	11.1
383.16440	5.2
391.19034	13.1
393.16815	3.9
393.21188	1.3
399.18890	1.6
401.12427	1.4
401.17480	28.2
402.17728	3.1
403.15332	6.0
409.20120	2.5
415.18863	4.5
417.20782	8.2
419.18518	100.0
420.18881	12.6
421.16476	2.1
425.17465	1.3
433.19882	3.0
435.21786	10.6
436.21954	1.4
437.19601	38.6
438.20117	4.6
443.18552	10.3
451.21027	3.3
453.22900	1.6
455.20514	2.8
461.19559	33.6
462.19855	3.7
479.20657	53.4
480.20990	7.0
497.21661	19.3
498.22083	2.6
521.21600	3.9
539.22827	2.3
557.21289	1.3
575.23767	2.6
599.22510	2.9
617.23590	5.8
632.73907	1.0
635.25238	1.6
677.26062	6.0
712.35120	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99174	0.7
53.03957	1.7
54.25687	0.8
55.01873	1.4
65.03947	8.2
67.05512	3.6
69.03445	3.1
69.07101	1.1
69.35086	5.2
71.80540	0.8
79.05499	5.2
81.07056	17.2
83.04974	2.0
91.05483	5.9
92.08710	1.0
93.03419	1.8
93.07050	4.7
93.07571	0.9
95.04985	6.7
95.08611	7.9
97.02915	4.2
97.06522	2.0
99.04473	2.4
105.07039	3.6
107.04989	2.0
107.08612	3.0
109.06524	16.1
111.04462	3.4
115.05466	1.5
117.07034	2.3
119.08617	2.9
121.02869	100.0
121.03938	3.0
121.06514	2.5
122.03179	1.8
123.08080	8.5
128.06218	3.1
129.07019	4.3
131.04956	1.8
131.08577	3.5
133.06512	3.5
135.04510	1.2
135.08040	2.7
137.05978	23.7
141.07001	2.6
142.07761	1.4
143.08585	6.1
145.06499	8.1
145.10161	2.2
147.04378	1.2
147.08025	5.1
149.05977	1.8
149.09554	1.1
151.07555	2.5
153.06998	2.1
155.07416	1.5
155.08533	7.0
157.06479	2.0
157.10158	3.2
159.08049	4.9
161.05934	1.4
161.09607	1.9
163.07591	2.9
165.07050	2.6
166.07733	1.0
167.07108	1.4
167.08592	4.4
169.06514	2.5
169.10144	2.7
170.07216	1.3
171.08028	10.8
173.06029	1.9
173.09622	2.8
175.07530	2.2
177.05524	1.9
177.09128	2.0
178.07829	3.4
179.07178	0.9
179.08565	3.3
180.09212	1.2
181.06464	1.4
181.10089	4.9
182.07281	1.8
183.08049	8.6
184.08823	1.5
185.06055	1.4
185.09627	5.6
187.11223	1.4
189.09102	1.8
191.08598	2.4
192.09390	3.0
193.08617	1.8
193.10095	6.2
195.08119	5.6
195.11775	1.6
197.05890	1.1
197.09700	4.0
199.07562	2.9
199.11299	1.8
201.09084	1.9
202.07793	2.3
203.08621	2.6
203.10802	1.0
204.09346	1.8
205.10091	4.7
206.07246	0.9
206.10872	1.9
207.08060	1.4
207.11746	3.7
208.08875	1.8
208.12302	1.2
209.09621	6.7
209.13173	2.0
210.10144	1.8
211.07449	1.9
211.11214	2.8
213.09123	2.8
215.08629	2.3
215.10783	1.5
216.09393	2.1
217.10146	5.5
218.10873	3.2
219.08087	3.5
219.11685	5.0
220.08812	3.1
220.12410	1.3
221.09671	5.8
221.13274	3.4
222.10287	1.2
223.07518	1.4
223.11229	3.6
223.14656	1.2
224.12068	0.9
225.09117	2.5
225.12814	1.8
227.10573	1.1
228.09270	1.0
229.10336	1.2
230.10779	1.4
230.47340	1.1
231.07988	1.6
231.11723	2.6
232.08824	3.0
232.12518	1.5
233.09677	5.9
233.13315	3.7
234.10298	2.4
235.07538	1.5
235.11177	12.3
236.11792	3.0
237.09126	3.3
237.12770	6.0
239.10709	3.0
242.11002	1.7
243.11691	2.6
245.09554	4.5
245.13194	2.8
246.10503	4.8
247.11195	6.7
247.14830	3.0
248.08202	1.1
248.11960	1.6
249.09204	2.5
249.12752	6.4
250.13387	2.1
251.10838	2.6
251.14302	4.0
253.12245	3.5
257.11588	1.6
257.13620	1.2
259.11334	5.5
259.13724	0.9
260.12039	4.3
261.09424	1.1
261.12750	7.3
263.10727	6.6
263.14288	2.9
264.11328	2.8
265.08722	1.8
265.12329	3.4
265.15958	3.7
267.09958	1.1
267.13708	1.2
269.11850	1.4
270.10342	2.3
271.15149	1.1
273.12711	3.0
275.14276	11.2
276.14871	2.1
277.12317	5.3
277.15942	3.8
278.12949	1.5
279.10535	2.0
279.13843	5.5
281.11572	7.5
282.12546	1.3
283.13770	1.1
284.11847	1.7
285.12711	3.8
286.13367	1.6
287.10666	1.2
287.14337	1.3
288.11246	1.4
289.12369	2.1
289.15594	1.8
291.10657	1.4
291.13870	3.4
293.12146	1.9
293.15454	6.1
294.15768	1.3
295.13309	1.5
299.13013	1.9
301.12183	2.0
303.13852	7.3
304.14642	1.2
305.11795	3.3
305.15332	1.5
306.12469	1.6
307.13498	1.0
309.11237	1.7
313.15747	1.5
315.13693	1.7
317.15390	2.4
319.13290	1.2
319.16904	1.6
321.14813	5.9
322.15335	1.2
323.12820	2.8
331.13126	1.5
335.16464	2.0
339.16187	1.1
341.14139	1.8
345.14764	2.4
347.16489	1.5
353.17435	1.8
355.16888	1.3
357.14731	2.2
359.15878	1.1
363.15869	4.4
373.18051	5.0
377.17590	1.5
381.17026	5.3
383.16296	1.9
391.19000	8.8
392.19360	1.6
397.18121	1.2
401.17514	17.5
402.18033	2.2
403.15433	13.2
404.15799	1.8
409.20032	1.5
415.19397	2.1
417.20798	5.7
419.18555	59.6
420.18915	6.8
421.16904	2.0
433.19705	2.4
435.21832	6.4
437.19586	25.5
438.19855	3.0
443.18625	7.3
444.18390	1.6
451.21112	2.9
453.22824	1.9
455.20306	1.7
461.19592	27.6
462.19894	3.5
479.20663	64.7
480.21097	7.7
497.21753	16.2
498.22232	2.1
515.22748	1.1
521.21753	6.2
539.22412	1.8
557.21759	2.7
575.24371	1.6
617.23615	2.8
630.76599	1.1
635.24286	1.4
677.25793	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
55.01870	2.5
55.05512	15.9
57.03440	17.4
57.07072	3.5
61.02913	1.8
65.03938	3.0
67.05505	58.4
69.03431	1.0
69.07062	12.9
69.19302	3.8
69.19726	3.4
71.01351	2.0
71.04980	4.0
71.08621	1.0
73.02912	1.2
73.65462	0.8
76.88415	0.8
79.05492	46.1
80.05824	1.2
81.03418	3.9
81.06664	0.7
81.07054	43.3
83.04977	8.1
83.08617	6.1
85.02908	3.2
85.06551	4.1
91.05481	23.2
93.07044	57.0
95.04971	3.2
95.08605	30.8
97.02887	1.2
97.06527	9.0
97.10168	10.6
98.22729	2.1
99.04444	1.2
99.08106	1.6
105.04546	1.1
105.07037	10.6
107.04967	1.6
107.07860	1.8
107.08591	35.8
109.06516	1.6
109.10152	12.0
111.08089	2.6
111.11740	1.1
117.07011	4.5
117.17223	0.8
117.84862	0.8
119.08582	10.8
121.06467	1.3
121.10143	16.8
123.08010	1.0
123.11725	4.1
125.09644	1.0
129.07025	1.2
130.07738	1.1
130.59717	0.8
131.08559	6.5
133.10129	11.8
134.10497	1.2
135.08058	1.0
135.11696	46.3
136.12061	2.9
137.09630	1.3
143.08600	1.3
145.10120	11.6
146.10515	1.1
147.11688	4.0
149.13274	4.3
151.11157	2.2
153.12759	3.7
159.11664	4.1
161.13274	3.9
163.11220	5.9
163.14835	2.8
173.13290	2.6
175.14784	1.0
177.16382	1.3
181.12247	13.2
184.07489	1.0
187.14760	1.7
191.93954	0.9
199.13283	3.2
201.16318	1.4
202.43747	1.0
221.15384	0.9
243.21074	3.5
253.14331	4.6
255.15915	100.0
256.16342	4.6
261.22141	12.5
273.28693	1.0
317.24561	2.1
335.25803	62.0
336.26071	5.1
403.62402	0.9
423.32532	2.5
441.33841	2.0
442.00330	1.0
442.34744	1.0
467.37173	1.1
488.06189	1.0
515.37299	77.5
516.37659	9.3
533.38354	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.05505	6.5
56.05020	1.4
57.07072	5.2
59.60435	1.4
65.03938	2.3
67.05505	18.3
69.07071	8.2
71.08623	3.0
71.29843	1.3
79.05490	16.8
81.07059	19.9
82.06588	7.4
83.08611	5.7
85.02894	1.9
91.05483	23.3
93.07034	18.2
94.06559	22.5
94.96070	1.3
95.04978	2.3
95.06345	1.4
95.07353	5.0
95.08601	17.2
96.08122	2.7
97.02871	1.5
97.10197	2.4
98.98507	1.3
105.07039	12.3
106.06558	5.7
107.07339	1.6
107.08588	9.6
108.08105	8.0
109.10159	7.2
117.07000	6.4
119.08588	13.1
120.08085	3.6
121.10142	6.4
122.09632	4.8
123.11725	2.2
131.08508	8.5
132.08087	2.8
133.08943	2.1
133.10121	7.0
134.09625	7.0
135.11699	4.0
145.10121	3.4
147.10466	1.5
147.11665	2.9
148.11198	5.3
155.01067	1.4
161.13280	2.7
163.14700	2.3
173.13332	1.5
203.18008	2.0
219.41222	1.4
231.21051	9.9
243.21056	8.0
246.22060	1.5
248.23705	8.5
260.23727	100.0
261.24115	4.7
272.25809	4.9
278.24823	10.9
286.77048	1.6
337.27151	2.1
364.55219	1.7
425.22305	1.5
474.26038	1.5
502.45880	5.0
514.46051	13.6
515.45929	2.0
516.47638	3.2
532.47241	19.0
533.47516	3.0
571.46954	3.3
597.48608	20.3
598.49567	3.0
600.50726	7.0
694.52069	3.2
740.73383	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.4
55.01866	1.4
55.05259	1.7
55.05514	15.0
56.05044	9.5
56.78065	1.0
57.03429	1.0
57.07083	7.9
57.51872	1.0
60.04530	14.6
61.02914	1.2
65.03940	4.2
67.04259	2.2
67.05507	65.8
69.03420	3.7
69.07078	11.8
70.06587	2.8
71.08623	3.2
79.05499	23.7
79.05958	1.5
80.05020	6.5
81.03430	1.2
81.05798	1.6
81.06577	2.2
81.07059	45.4
82.06583	42.0
82.07331	1.9
83.04985	2.1
83.08612	10.2
85.02906	4.6
86.06079	2.4
91.05482	27.1
92.05809	1.8
93.07046	14.5
94.06576	14.3
95.04957	3.9
95.08610	37.8
96.08138	9.7
96.08726	1.2
96.08925	0.8
97.02914	2.3
97.06541	1.4
97.10177	5.7
98.06059	1.8
105.04525	0.9
105.07039	20.1
106.06555	3.3
107.08598	7.4
108.08118	4.7
109.10160	21.1
113.16022	0.9
115.05450	2.4
117.07020	21.1
119.08589	15.6
120.08109	9.0
121.08892	13.6
121.10148	7.5
122.09673	2.0
123.11720	9.1
127.07584	1.4
129.07025	2.1
131.08578	21.0
132.08105	1.1
132.09004	0.9
133.10126	11.1
134.09619	5.6
135.10400	1.3
135.11674	3.0
137.05954	1.6
137.13254	1.4
142.15851	1.1
145.07262	0.9
145.10133	14.7
147.10506	1.0
147.11728	2.9
148.11244	3.1
149.09639	1.3
149.13249	1.2
159.11720	10.6
161.12071	1.0
161.13275	2.8
162.12793	1.4
163.14885	1.1
165.16437	1.5
173.13280	2.8
187.14832	1.7
191.18002	1.4
200.23534	1.3
203.18102	1.6
215.17969	3.6
217.19519	3.7
218.37813	1.2
231.21028	6.6
243.21100	39.3
244.21483	1.8
245.22450	1.3
248.23767	3.3
254.24774	2.1
260.23746	100.0
261.21710	6.1
261.24170	3.9
262.25369	1.3
272.25867	15.0
273.26025	1.7
278.24814	12.9
310.27475	2.1
314.26923	1.1
336.29114	5.2
338.30576	1.2
348.28494	1.2
350.30472	2.3
368.31561	16.6
483.05237	1.3
502.45731	1.8
514.46216	20.4
515.46234	2.1
516.47705	5.7
532.47211	21.9
533.47156	2.7
550.48114	2.3
614.47223	1.1
694.52185	3.4
695.52679	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.0
55.01863	3.1
55.05510	21.7
56.05035	5.1
57.07076	14.0
57.85831	2.2
60.04229	3.2
60.04526	51.7
65.03939	3.6
67.05510	77.4
67.13593	2.2
68.05022	3.1
68.05855	2.2
69.03432	4.4
69.07072	23.3
69.34900	6.6
69.35310	7.9
70.06615	3.4
70.07419	2.1
71.08622	10.0
71.18449	2.3
79.05492	36.5
80.05032	11.8
81.03411	3.8
81.05776	3.4
81.07058	61.2
82.06583	48.2
82.07384	4.0
83.04980	3.5
83.08611	17.6
85.02911	5.7
85.10120	2.3
91.05482	60.7
91.53655	2.2
92.05796	2.2
93.07037	31.0
94.06564	11.1
94.07344	3.9
95.04968	3.2
95.08610	52.2
96.08139	4.6
97.02905	3.3
97.10184	10.8
98.06033	8.2
98.22637	2.2
100.07610	3.0
105.07034	49.0
106.06576	3.3
106.07320	2.6
107.08588	11.9
107.34372	2.1
108.08130	2.7
109.10156	23.7
110.06051	4.6
111.08089	2.0
111.11701	2.6
115.05444	3.5
117.07015	40.6
119.08589	30.4
120.08096	4.2
120.08913	2.3
121.10136	16.6
123.11711	14.1
129.07013	2.7
131.08569	44.5
132.08063	3.1
133.10162	10.9
134.09639	6.6
135.08060	3.3
135.11708	6.6
137.13326	3.5
145.10136	21.9
147.10515	3.2
147.11739	5.6
149.13191	2.2
159.11678	6.1
161.13257	4.0
173.13324	2.5
174.67299	2.1
206.19321	2.4
217.19449	4.5
231.21085	13.8
234.92009	2.0
243.21111	27.3
244.21564	2.7
248.23764	6.0
260.23746	100.0
261.22037	34.6
262.22360	2.9
266.24823	2.9
272.25812	16.1
278.24731	21.8
314.26843	5.5
336.29013	8.7
342.62292	2.1
368.31488	5.2
390.68832	2.3
502.45914	4.6
514.46167	34.1
515.46161	6.8
516.47461	4.2
532.47272	25.3
550.47321	2.9
694.52197	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49707	0.4
59.71133	0.4
63.02371	0.9
77.03931	0.5
78.04716	0.5
79.05491	0.8
87.26426	0.4
89.03919	10.8
91.05482	1.3
98.22560	0.8
103.05467	1.6
105.07040	0.8
106.04192	0.7
107.04910	0.7
115.05428	0.7
117.03380	27.4
118.03741	1.0
121.06466	0.7
131.04936	1.5
132.60820	0.4
134.03642	1.8
135.04413	1.9
137.05954	2.1
145.02849	57.3
146.03149	2.0
149.05983	11.1
151.03911	5.4
151.07542	0.7
160.05173	0.7
160.37047	0.4
161.05974	3.2
162.05511	0.8
163.07539	1.7
173.09689	0.7
175.07570	1.3
177.05472	100.0
178.05806	3.5
186.05475	1.3
189.05547	0.5
191.08311	0.8
194.07301	0.4
201.05397	1.0
205.04955	2.1
205.10155	0.8
222.06783	0.5
233.09776	0.6
235.07585	0.7
240.07854	0.8
247.05992	1.8
250.06195	0.8
250.09877	0.7
251.07144	1.0
253.04933	0.4
261.09091	0.7
265.08585	1.7
265.12173	0.7
267.06644	0.5
267.10107	0.5
268.07321	2.6
278.09406	0.7
279.06430	1.3
282.08905	1.0
283.09616	4.3
284.10333	0.8
293.11826	2.0
295.09296	0.4
296.06778	1.2
297.11169	2.9
297.14780	1.2
299.12589	0.6
311.09171	8.3
311.12625	0.7
312.06229	0.6
312.09457	0.5
325.10599	1.5
325.14322	3.3
327.08679	1.4
343.15451	6.3
343.63968	0.5
344.15836	0.7
353.10135	5.0
369.09500	1.5
369.13397	1.0
377.13861	0.7
395.14725	0.5
571.19690	0.6
579.06696	0.5
667.24420	0.7
695.24274	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.3
57.82793	0.2
63.02392	0.8
70.99151	0.4
78.04714	0.6
79.05489	0.7
89.03915	11.4
91.05482	2.2
93.07009	0.3
94.04198	0.5
95.04973	0.5
103.05462	5.8
105.03416	0.3
105.07029	2.3
106.04166	0.5
107.04951	1.6
115.05452	0.7
117.03377	30.2
117.07070	0.5
118.03703	0.6
119.04956	0.6
121.06498	0.7
122.03618	0.6
124.05167	0.4
128.06268	0.3
129.07010	0.4
131.04926	10.6
132.05258	0.3
133.06500	1.6
134.03635	2.4
135.04424	1.9
135.08052	0.4
137.05975	7.1
138.06252	0.4
143.04959	0.4
145.02841	63.3
146.03108	1.9
147.04391	0.6
147.08112	0.4
149.05972	10.2
150.06320	0.3
151.03940	1.2
151.07524	0.8
158.07286	0.3
159.08098	0.4
160.05196	0.3
161.05978	5.6
161.09619	0.3
162.03067	0.4
162.06711	0.6
163.03917	1.7
163.07544	4.4
164.04385	0.2
174.06735	0.3
175.07568	1.7
177.05461	100.0
178.05809	3.8
179.10596	0.3
186.05550	1.6
187.07570	0.8
189.05475	5.3
189.09090	1.0
190.06035	0.3
194.07315	0.3
201.05511	0.9
201.09157	0.5
203.06993	0.6
205.04883	1.4
219.10127	0.9
221.09604	0.3
222.06775	0.3
223.07491	0.3
231.06384	0.5
233.09538	0.6
233.11722	0.4
235.07503	0.3
237.09171	0.5
247.05954	3.0
249.09131	0.4
250.09837	0.3
251.07031	0.7
261.09213	0.3
263.06982	0.3
264.07642	0.4
265.08557	0.9
265.11203	0.3
267.09961	0.3
271.09558	0.3
277.08484	0.4
278.09210	0.3
279.06537	0.9
280.06961	0.3
282.08911	0.3
283.09540	0.3
283.47064	0.3
284.10352	0.3
293.11600	1.0
295.09827	0.3
296.06729	0.3
297.11151	1.0
297.14462	0.3
299.12778	0.3
309.11090	0.7
311.09189	3.0
311.12659	0.5
312.09454	0.4
313.14148	0.6
315.12332	0.4
325.14301	2.0
338.47427	0.3
338.87775	0.3
341.13864	0.5
343.15274	1.5
353.10181	1.1
355.11673	0.4
395.14828	0.8
407.14777	0.7
408.14835	0.3
487.17581	0.3
571.19165	0.4
587.02039	0.3
589.20496	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
53.70771	0.3
55.01863	1.2
55.05510	1.7
57.03442	2.4
57.07069	0.5
61.02927	5.3
67.05500	2.6
69.03426	2.5
69.07082	1.1
71.01351	0.5
71.04990	0.5
71.31122	0.5
73.02917	4.2
79.05497	2.4
81.03417	3.3
81.07051	1.8
83.01099	0.8
83.04995	0.7
83.08627	0.9
85.02911	5.9
86.09721	0.8
87.04474	0.5
91.03960	4.1
91.05479	2.5
93.07046	1.9
95.01078	0.8
95.04985	1.1
95.08598	0.8
96.01855	0.5
97.02880	4.2
97.06538	0.9
97.10191	0.5
97.99779	0.4
99.04453	0.9
101.02389	2.0
103.03972	0.5
105.07046	1.2
107.04926	0.7
107.08585	1.2
109.02894	1.1
109.06531	0.4
109.10197	1.1
111.08080	0.7
115.03909	0.5
117.05498	1.0
118.48244	0.3
119.08584	1.1
119.57227	0.4
120.96430	0.3
121.10161	0.7
123.04359	1.4
125.00050	0.8
125.02113	0.4
125.09624	0.9
127.03945	2.3
129.05469	2.4
129.07002	0.6
131.08560	0.5
133.10196	0.9
135.04433	0.4
135.11690	0.8
137.06000	1.6
137.09651	0.4
139.03830	1.0
145.04990	0.7
147.11717	0.8
153.05388	0.4
157.10220	0.6
163.03918	0.7
163.11255	0.4
175.11238	0.7
181.04797	1.0
184.03447	0.7
184.07367	2.6
185.04213	6.6
191.52928	0.4
193.12331	1.6
199.05724	1.7
199.13403	1.2
201.03751	3.4
201.07430	0.4
201.14951	0.5
202.21725	0.6
203.05370	0.6
211.13377	0.9
221.11482	0.5
227.05341	0.5
241.06903	1.1
243.08408	5.4
251.12567	4.8
251.88370	0.4
259.07938	0.9
265.14264	0.9
267.27136	0.4
277.14182	0.7
285.10013	0.4
287.05530	0.4
291.15598	2.1
292.87091	0.4
301.08963	18.4
302.09509	0.6
307.15317	1.2
308.15451	0.4
313.09055	1.2
315.10480	4.0
317.08612	0.7
321.16980	0.5
327.10513	1.7
329.12430	0.8
341.12137	1.3
343.13849	1.0
346.67621	0.4
349.16226	5.1
355.13733	1.0
357.11417	0.5
357.15363	1.1
363.17868	0.9
367.17361	1.3
369.15366	0.9
371.16956	1.1
373.11084	6.9
374.11465	0.5
383.16678	3.2
385.18335	10.6
386.18719	1.0
387.12531	2.1
395.16724	3.8
397.18936	0.5
401.14267	0.8
413.17950	1.1
415.15872	0.7
421.09219	1.0
423.19656	0.9
425.17892	0.7
429.17761	2.1
433.25516	3.5
439.19412	1.7
441.21082	0.8
443.18842	6.0
444.19278	0.5
451.19473	0.6
451.26904	0.6
457.20563	1.3
467.18976	1.0
469.20477	17.7
470.20792	1.1
479.26288	1.6
483.21973	1.3
484.18900	0.9
485.19769	6.0
499.21408	4.1
500.22104	0.8
511.21350	1.8
513.23547	0.7
527.20905	0.7
527.28278	1.6
528.21710	7.2
528.28967	0.7
529.22656	0.6
541.22559	10.7
542.23053	1.1
555.23737	2.5
569.25208	2.9
570.25934	0.6
583.30914	2.4
597.25604	0.5
611.30383	6.7
612.31122	5.6
613.31824	0.5
625.31451	0.7
641.31824	1.0
651.33405	1.3
653.31049	1.9
667.33063	2.0
668.33069	0.5
678.32764	0.5
695.32214	3.8
696.32806	2.0
713.33398	100.0
714.33801	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02151	0.3
53.03944	0.8
55.01883	0.7
55.05511	0.9
57.03439	1.8
61.02930	5.3
67.05507	4.9
67.05842	0.5
69.01034	3.0
69.03429	2.7
69.07066	0.9
71.04991	3.7
71.05327	0.4
73.02917	3.4
79.05488	2.6
81.03414	3.5
81.03786	0.3
81.07063	5.1
83.05000	0.9
83.08636	1.4
85.02908	5.2
85.06609	0.5
87.04453	0.5
91.03957	3.2
91.05475	4.1
92.05856	0.3
93.07051	3.0
93.25967	0.3
95.04995	1.1
95.08621	1.9
97.02901	4.3
97.06561	1.1
98.22586	0.5
99.04453	0.6
101.01814	0.3
101.02370	1.8
102.41074	0.3
105.07030	2.6
107.04956	0.6
107.08604	1.3
109.02888	0.6
109.10178	1.0
109.15450	0.4
111.08139	0.6
117.07047	0.6
119.08622	1.2
121.10168	1.2
123.04442	0.5
123.11702	1.6
127.03952	1.4
129.07080	0.5
131.08583	1.2
133.10106	3.1
135.04494	0.4
135.11748	0.6
137.09653	0.4
139.03935	0.5
145.04970	0.6
147.11714	0.9
149.13266	0.7
151.11235	1.4
157.10196	0.7
159.11760	0.5
185.04269	0.7
187.13309	0.6
193.12344	1.1
195.13875	0.3
201.07661	0.3
243.08321	2.1
251.12654	1.0
257.17618	0.9
267.15869	1.3
276.75095	0.4
307.15271	0.5
323.18454	0.5
342.76276	0.3
343.63596	0.4
425.19769	0.4
441.21088	0.6
453.20770	1.4
469.20389	5.2
485.23590	8.2
486.24213	0.8
501.23389	0.6
531.69531	0.4
609.28711	0.9
641.31104	2.6
642.31836	0.7
643.47345	0.4
667.32300	0.4
713.37201	100.0
714.37567	14.6
714.47626	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87726	0.7
53.03954	0.8
55.01862	0.7
57.03450	0.9
60.47774	0.6
61.02937	1.5
67.05529	1.1
69.03428	6.2
70.72708	0.9
70.73051	1.0
71.04993	1.0
73.02924	1.3
79.05512	2.0
80.05022	0.9
80.60281	0.8
81.03443	1.6
83.05029	0.7
84.30453	0.6
85.02906	6.9
87.04447	1.1
87.91400	0.6
91.05448	1.6
93.07056	2.0
94.06567	4.0
95.07357	1.4
96.08150	4.4
97.02910	2.5
103.05468	0.7
105.07057	1.0
106.06557	0.9
107.07362	1.9
108.04483	0.9
108.08124	7.0
109.02891	1.3
109.85442	0.6
110.09695	7.1
118.06533	0.7
120.04488	2.4
120.08115	7.8
122.06025	8.9
122.09673	4.7
123.06763	0.7
124.07565	0.7
127.03916	1.2
134.06111	0.7
136.06583	1.2
136.07564	11.0
138.05510	1.3
138.09151	11.3
146.06033	1.8
148.07600	6.9
150.05496	0.9
150.09152	7.2
152.07109	2.6
152.10788	0.6
154.62256	0.7
156.23306	0.7
164.07126	2.1
166.08632	23.1
167.08987	0.7
172.03900	1.3
174.05551	0.6
176.10776	1.3
180.10339	1.0
190.04979	0.8
194.08176	2.1
196.09895	0.6
197.10796	1.6
198.11702	0.7
209.10793	1.8
211.08731	0.7
211.12338	1.1
212.09448	1.9
218.08261	0.8
223.08682	1.8
223.12366	1.5
224.09442	1.6
225.10234	5.4
226.11018	0.9
227.11690	3.2
233.10791	1.6
234.11462	1.0
235.08740	2.5
235.12334	1.3
236.09445	1.1
237.10237	13.5
238.10945	2.6
239.08162	1.6
239.11745	5.6
240.09045	0.8
241.09705	1.2
245.12878	1.1
248.09486	2.0
249.10249	11.1
250.11055	3.5
251.08217	4.3
251.11801	12.0
252.09021	1.0
252.12442	1.9
253.09746	7.7
253.12286	0.9
253.13533	0.9
254.10292	1.1
255.11263	5.3
261.10196	7.0
262.11017	2.1
263.08603	1.4
263.11850	10.3
264.08878	1.5
265.09726	16.4
265.13055	1.4
266.10352	3.2
266.14072	0.8
267.11279	10.9
268.11859	1.5
269.09232	1.4
269.12766	1.5
271.10934	2.3
273.12521	1.1
276.09021	0.9
277.09604	5.5
278.06897	1.6
278.10574	7.7
279.07782	3.5
279.11246	20.7
280.08847	0.9
280.12006	4.0
281.09320	2.5
281.12878	4.2
282.10010	2.4
283.10776	7.6
283.13977	1.3
285.12387	1.1
287.14133	1.9
289.09711	14.6
289.12695	1.1
290.10321	2.7
291.11292	6.9
292.11890	1.7
293.09271	8.5
293.12900	5.6
294.10010	5.1
294.13168	1.2
295.10806	7.2
296.11429	4.3
297.09125	1.2
297.12265	5.4
298.13025	1.1
299.10315	2.2
299.13788	0.8
306.10028	2.0
307.10681	6.8
308.11642	2.1
309.12259	7.5
310.12982	1.4
311.10352	8.8
311.14020	4.4
312.10870	4.4
313.11642	4.3
314.12598	2.5
316.14343	0.7
317.09262	1.7
318.16150	0.7
321.08972	1.5
321.12393	1.2
323.10336	2.9
323.14020	3.8
324.11069	3.4
325.11841	6.0
326.12665	4.6
327.13333	7.5
328.14160	1.5
335.10229	22.3
336.10843	2.5
337.11890	3.6
339.09766	2.9
339.13388	61.0
340.10101	4.5
340.14072	4.1
341.11340	6.2
341.15039	1.8
342.16034	0.8
344.17453	0.9
351.10046	0.7
352.10675	2.0
353.11285	14.8
353.15463	1.2
354.11996	8.0
355.12817	19.4
355.16901	1.2
356.13248	1.7
358.19171	0.8
367.12888	51.1
368.13193	4.7
372.16989	1.0
413.13965	0.7
429.16821	0.9
430.17627	0.9
432.19073	1.9
442.17722	1.4
460.18744	5.0
461.19446	1.0
470.17365	1.2
474.20184	1.5
478.19839	3.2
479.20428	0.9
485.61777	0.8
488.18127	34.6
489.18570	3.9
490.19839	1.5
492.21304	2.5
502.19913	1.5
506.19229	21.0
507.19687	3.0
520.20758	38.8
521.21222	4.1
534.19073	2.8
548.19836	1.0
614.21851	1.1
622.24103	2.4
624.50415	0.8
632.22766	1.5
650.23364	16.2
651.24133	3.2
654.26428	1.5
664.24884	2.8
682.26044	100.0
683.26410	15.4
714.28424	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.3
51.02380	0.3
53.03949	0.9
69.03426	1.4
69.17828	1.7
77.03902	0.6
78.64340	0.2
81.03418	1.2
83.23803	0.3
85.02901	1.0
85.03361	0.2
85.89040	0.2
95.04974	1.0
97.02906	0.7
102.04720	0.3
103.05469	33.5
104.05809	1.0
105.04491	0.5
109.02880	0.4
109.51891	0.3
127.03922	0.7
131.04927	100.0
132.05264	3.6
137.05984	0.6
149.05981	1.6
161.80977	0.3
167.07066	0.7
178.49095	0.3
183.07968	0.4
197.09679	0.3
210.06726	0.3
211.07538	0.8
223.07561	0.3
225.09097	0.8
227.07062	0.3
235.11266	0.3
237.09123	0.3
238.06310	0.4
239.07021	1.0
243.06487	0.5
248.08276	0.4
249.09010	0.4
251.10625	0.3
252.07759	0.3
253.04938	0.3
253.08551	1.2
254.09320	0.4
255.06517	0.3
256.07214	0.9
257.07990	0.4
263.10678	0.7
264.11359	0.3
265.08545	0.9
266.05719	0.3
267.06549	1.5
267.10052	0.4
268.07330	0.4
269.04529	0.3
270.08771	0.7
271.06134	0.5
271.09683	0.5
275.09198	1.4
277.08603	0.5
277.12204	0.3
279.06693	0.2
279.10107	0.8
280.10867	0.9
281.08072	1.2
281.11609	0.7
283.05875	0.3
283.09885	0.2
284.06659	0.6
285.07498	1.1
285.11142	0.7
287.05640	0.5
287.09055	0.4
288.06448	0.4
289.06793	0.3
291.10013	0.6
292.10910	0.4
293.10275	1.9
295.09851	0.6
295.13269	2.3
296.13654	0.4
297.07730	0.4
297.11240	0.9
298.08301	0.4
299.09131	1.4
301.07214	0.4
301.10406	0.4
302.07791	0.5
303.08603	0.8
304.09421	1.5
307.09665	0.5
308.10245	0.7
309.11258	1.3
312.13535	0.5
313.10651	2.5
314.11176	0.3
316.09421	0.4
317.10321	1.8
318.10794	1.8
319.11612	0.5
323.12753	3.7
324.13321	1.1
325.10654	0.7
325.14240	0.4
327.15906	0.8
328.81271	0.3
329.10059	0.4
331.08231	0.3
331.11646	1.6
340.13165	0.6
341.13702	0.7
345.13306	1.5
355.15399	8.1
356.16119	2.5
372.15735	0.5
387.18002	28.9
388.18384	2.4
440.13306	0.3
464.18893	0.3
517.22174	7.6
518.22211	0.9
549.22986	0.8
672.72290	0.3
714.36469	1.1
715.34705	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69995	2.0
53.03949	4.9
55.05514	17.2
56.05027	2.2
57.07073	9.0
59.68069	1.9
67.05502	30.2
69.03456	5.3
69.07072	16.9
69.69994	10.5
71.04997	4.3
71.08633	2.3
79.05491	25.3
79.95246	2.0
81.03401	2.2
81.07056	100.0
83.04981	7.3
83.08617	8.3
85.06554	2.5
85.70466	1.9
86.09743	3.7
91.05477	18.1
93.07043	27.5
94.06618	3.1
95.04965	3.8
95.08607	71.2
97.02898	2.3
97.06607	2.7
97.10172	4.8
99.04447	3.3
105.07035	24.4
107.08598	31.4
109.06512	37.5
109.10150	30.3
111.04445	4.7
111.08101	6.0
117.07044	7.8
119.08584	22.0
121.06507	5.7
121.10163	16.8
123.08075	4.6
123.11736	5.4
125.00060	3.5
129.06987	3.9
131.08588	16.1
133.10126	18.5
135.11665	11.1
137.05968	8.1
137.13269	9.9
139.07602	2.6
142.07779	2.3
143.08536	10.3
144.09375	2.7
145.10103	25.0
147.08078	5.5
147.11713	14.8
149.09653	3.0
149.13268	3.8
155.07047	17.0
155.08463	2.9
156.09334	3.6
157.10114	18.4
158.68991	2.0
159.08051	3.7
159.11710	17.3
161.09625	4.7
161.13298	8.8
169.10159	8.3
170.11000	2.8
171.11717	11.1
173.09639	3.5
173.13246	15.0
175.11185	5.4
175.14825	7.4
177.09097	4.1
179.08556	2.8
179.10686	3.5
181.10027	4.2
183.11703	12.2
184.07381	7.2
185.13255	8.6
187.11110	5.0
187.14848	9.1
189.09219	2.4
189.16393	5.8
195.00348	5.5
195.11748	6.1
196.12253	2.3
197.13274	10.8
199.14848	10.7
201.16493	7.2
203.17915	3.7
204.18199	3.0
207.11707	4.1
209.13248	7.4
211.11180	2.7
211.14865	6.7
213.16376	3.1
215.14395	2.9
219.13873	3.6
221.13263	3.6
223.11208	2.6
223.14867	8.2
225.16394	7.2
227.18066	4.5
231.13840	3.8
233.15456	3.5
237.16484	4.0
238.17130	3.3
239.14429	2.3
239.17928	17.0
240.18646	7.1
241.19453	6.5
245.15472	4.0
249.16302	3.3
253.19525	3.2
255.21069	7.5
262.25327	9.4
262.28253	2.1
277.16165	2.9
278.24899	3.9
279.21210	4.2
281.17679	3.2
281.22583	11.1
283.24197	12.6
293.22433	2.7
309.22092	2.6
311.23618	4.9
313.27435	2.6
325.21671	3.2
327.23367	3.5
329.24667	5.9
365.24750	2.7
387.25317	6.1
389.26935	14.1
419.29779	12.3
420.14111	2.4
421.31036	54.0
422.31384	6.2
437.30576	17.4
439.31891	15.0
447.29041	12.9
455.31451	8.3
465.29950	17.4
483.31183	7.2
507.31311	5.6
517.38489	4.4
525.32196	16.1
526.32666	4.3
542.35492	7.4
543.33008	6.1
573.48474	13.8
574.49280	2.8
599.50079	7.6
670.11591	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.3
55.05505	22.0
57.07071	5.1
59.04989	2.7
61.28494	1.9
65.03938	3.0
67.05505	26.6
69.03420	3.4
69.07071	17.6
69.17138	6.0
69.17555	9.5
71.04987	2.8
79.05490	31.5
81.03422	2.6
81.07055	100.0
82.07371	3.2
83.04974	12.8
83.08610	10.0
85.06519	2.7
86.09704	7.1
91.05484	18.6
91.05974	3.1
92.05756	2.5
93.07040	50.1
95.04961	8.8
95.08604	46.0
97.06512	4.3
97.10155	4.6
99.04451	8.5
101.05988	3.9
101.10714	2.5
105.07034	26.7
107.08591	47.5
109.06516	71.3
109.10149	21.5
111.04446	9.9
111.08070	7.7
113.06028	2.4
117.07038	4.1
119.08586	30.3
121.06531	3.2
121.10115	14.9
123.08053	5.8
123.11680	7.2
125.00013	4.1
127.07530	2.5
128.06212	2.4
129.06982	3.1
131.08556	16.1
131.25865	2.4
133.10126	21.4
135.08070	5.6
135.11693	76.1
137.05971	13.7
137.09602	2.6
137.13223	15.6
139.07582	3.9
143.08563	14.5
144.09320	3.3
145.10115	25.6
147.08069	5.5
147.11641	16.2
147.91924	2.1
149.09624	5.4
149.13234	4.1
155.07033	39.4
155.08426	4.6
156.09366	3.2
157.10136	22.0
159.08031	3.3
159.11673	27.0
161.09616	10.9
161.13220	8.8
163.14807	2.6
167.08548	3.1
169.10152	16.0
171.11676	23.8
173.09639	7.2
173.13278	15.0
175.11182	7.3
175.14871	4.5
177.09212	3.1
179.10583	2.2
181.10132	5.9
183.11679	18.6
184.07310	24.5
185.09674	3.1
185.13272	20.7
187.11197	5.2
187.14825	9.6
189.12756	3.7
189.16389	2.2
191.10640	2.7
195.00287	3.0
195.11632	8.4
196.12445	3.9
197.13222	16.4
199.11115	4.3
199.14944	10.7
201.12730	4.3
201.16354	4.9
203.10582	2.2
203.17911	3.8
205.12172	5.9
207.11693	5.4
207.13736	2.3
208.12498	3.3
209.13231	12.1
211.11234	6.2
211.14751	12.0
213.12785	6.1
213.16364	8.6
215.14409	3.6
215.17981	4.9
217.12259	2.9
219.13657	3.4
221.13301	4.9
223.14807	10.4
225.12830	4.4
225.16284	7.3
227.14281	5.4
227.17941	7.8
229.12288	3.5
229.15891	6.1
229.19489	3.4
231.13763	6.6
233.15352	2.8
235.14815	5.6
237.12895	3.0
237.16486	5.3
239.14320	3.4
239.17891	3.7
241.12158	2.4
245.15396	6.3
247.14742	2.8
247.16917	10.9
249.16383	3.6
251.14409	3.6
251.17953	5.0
253.15607	3.3
259.16882	4.6
262.25232	7.4
265.15659	3.2
269.19067	11.4
271.16949	6.8
273.18527	5.4
279.17300	3.6
281.22382	3.5
283.20532	2.7
285.18484	4.1
291.21005	2.4
293.22595	4.6
297.18604	2.8
299.20142	3.8
305.85663	2.6
307.20410	3.7
309.22101	5.5
311.20438	2.8
311.23605	14.3
325.21503	6.4
327.23108	5.2
329.24734	66.1
330.24884	6.6
351.23032	3.2
401.23505	7.3
404.23962	2.3
405.24048	8.4
419.29517	4.1
421.31192	5.4
423.25409	4.4
423.32590	6.0
429.27533	11.3
447.28928	29.9
448.29425	5.3
449.30624	4.2
465.30069	56.5
466.30286	6.8
483.31030	91.7
484.31113	11.5
542.35126	5.2
543.36163	8.2
599.49725	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.1
57.07069	9.2
67.05505	68.8
69.07066	20.9
71.02861	7.1
71.08652	5.1
79.05491	25.2
81.07057	60.9
82.06580	6.8
83.08630	12.8
91.05489	16.2
93.07043	23.6
94.06576	13.5
94.79111	5.1
95.07352	10.0
95.08607	43.5
96.08147	7.2
98.98473	6.4
105.07043	11.2
107.08603	18.7
109.10170	12.7
111.11688	4.5
119.08611	9.4
121.10124	18.0
133.10063	5.8
135.11755	6.8
145.10205	5.1
198.26797	4.4
245.22598	11.3
262.25299	94.6
263.23550	6.7
272.26047	7.2
304.26382	6.1
337.27609	6.4
411.93411	4.7
427.10239	5.0
516.47540	23.8
534.48669	14.6
573.48370	5.3
599.50256	100.0
600.50641	17.0
617.45239	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.05513	5.9
55.12589	0.5
56.05041	4.4
57.07084	3.7
58.06574	0.6
60.04519	2.4
65.03936	1.0
67.05176	0.9
67.05508	11.7
68.05028	0.8
69.03430	1.1
69.07066	7.0
70.06584	1.6
71.08616	1.0
74.06065	0.6
79.05486	9.8
80.05016	3.0
81.03417	0.8
81.05789	1.6
81.07061	9.6
82.06590	6.9
83.08623	4.1
84.08167	0.7
85.02895	1.7
85.10169	0.9
91.05064	0.6
91.05495	6.2
93.07047	9.1
94.06570	17.9
95.07357	7.1
95.08608	7.9
96.08133	5.7
97.02891	0.7
97.10162	3.5
105.07046	4.8
107.08591	4.8
108.08138	2.9
109.10157	2.9
110.09644	0.6
111.11678	0.6
119.08578	5.4
121.10142	5.6
122.09680	2.1
123.11704	0.9
124.11196	0.7
128.20746	0.6
133.10118	2.9
135.10565	0.7
135.11678	3.6
136.11252	0.9
137.13231	0.7
147.11699	1.1
149.13254	1.0
161.13251	0.9
210.93982	0.6
219.21097	0.8
233.22646	3.9
237.52954	0.5
245.22697	4.8
250.25336	6.9
254.24707	1.3
262.25308	100.0
263.23462	0.6
263.25748	7.6
272.25790	5.2
275.13437	0.6
280.26364	7.4
379.18542	0.6
442.31796	0.8
504.47882	4.4
516.47736	22.7
517.47858	4.3
518.49219	4.6
519.49237	0.8
534.48834	11.5
535.48950	2.5
575.25555	0.8
603.42865	0.6
696.53766	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5507
Annotation	Pinelloside
Peak:m/z	Relative Intensity
53.03935	1.3
55.05518	6.2
56.05041	4.8
56.05261	0.8
57.07062	2.2
58.01073	0.9
58.06598	1.0
59.49955	0.8
60.04517	2.4
67.05505	10.2
68.05000	1.2
69.03463	0.9
69.07066	8.5
70.06587	2.0
79.05497	10.3
80.05021	2.9
81.03432	1.0
81.05788	1.6
81.07057	10.0
82.06580	6.5
83.08605	3.5
85.02898	2.9
85.10188	0.9
91.05481	7.4
93.07037	8.7
94.06570	16.0
95.04945	1.6
95.07339	7.5
95.08600	7.0
96.08160	4.8
97.02874	1.0
97.10152	1.9
105.07006	5.2
107.08591	4.0
108.08133	4.1
109.10132	1.9
115.29036	0.8
116.34302	0.8
119.08582	4.8
119.94100	0.8
120.27704	0.8
121.10119	5.9
122.09654	2.3
127.03902	0.9
133.10135	3.4
135.11690	3.1
143.20883	0.8
147.11711	1.4
151.14827	0.8
174.21001	0.7
209.26208	0.8
233.22588	3.2
245.22769	4.4
247.06886	0.9
250.25307	6.9
256.22696	1.0
262.25302	100.0
263.25708	9.1
272.25833	7.1
280.26361	7.8
504.47791	5.6
516.47742	28.0
517.47998	4.0
518.49158	3.8
519.49713	1.9
534.48822	16.0
535.48840	2.8
696.53790	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01864	0.6
55.05506	1.1
57.03437	1.2
57.41280	0.3
58.58248	0.3
61.02931	3.9
67.05498	1.8
69.03429	3.1
69.07072	1.1
70.34758	0.9
71.01353	0.6
71.05013	0.5
73.02918	2.4
79.05489	3.1
81.03423	5.0
81.07051	2.9
83.04994	0.9
83.08646	0.9
85.02903	5.1
91.03951	2.2
91.05481	3.6
93.07038	2.5
95.04971	2.1
95.08630	1.0
97.02898	3.4
97.06591	0.4
99.04487	0.8
101.02377	1.6
105.07021	2.2
107.04964	0.5
107.08609	1.2
109.02870	0.8
109.06525	1.1
109.10191	0.3
110.75385	0.4
111.08108	0.9
119.08556	2.0
121.06552	0.5
121.10120	2.1
127.03930	1.2
129.07060	1.0
131.08578	1.6
133.10159	1.2
137.05956	1.6
139.11189	0.9
142.07770	0.5
145.05124	0.4
147.08043	0.6
147.11723	1.3
149.09637	1.4
157.10162	1.2
163.07568	0.4
163.11203	0.5
175.11227	1.1
185.04207	0.9
187.11327	0.4
193.12299	1.7
211.13356	0.7
212.78032	0.4
225.10924	0.4
243.08412	2.2
251.12692	1.0
269.13669	1.3
285.17139	0.5
301.09097	0.6
307.15207	0.7
383.58078	0.4
439.21112	0.8
440.21494	2.7
443.19012	4.7
443.24677	0.6
457.22427	0.5
458.22556	1.6
469.20459	10.4
470.20923	1.3
481.22522	0.4
482.22232	0.7
487.21497	5.0
488.21930	0.6
541.22534	0.5
671.32300	2.9
672.32397	0.4
697.34357	2.0
715.35083	100.0
716.35431	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.1
51.02179	0.1
51.02396	0.4
51.14578	0.1
51.76698	0.1
53.03946	0.5
54.45898	0.1
55.01871	1.7
57.03445	0.2
61.02923	0.3
65.03936	0.3
69.03442	0.8
69.03760	0.1
70.94985	0.1
70.95316	0.1
71.04993	0.2
73.02918	0.3
77.03944	0.4
78.37563	0.1
79.05482	0.2
81.03425	0.5
85.02904	3.3
87.04507	0.2
91.03944	0.2
91.05490	0.3
93.03410	0.6
95.04961	0.4
97.02896	1.1
99.04473	0.2
102.04659	0.2
103.05466	35.2
104.05788	1.0
105.04525	0.3
107.04941	0.4
109.02879	0.3
111.04452	0.7
115.05484	0.2
117.07008	0.6
122.03622	0.2
125.06004	1.4
127.03954	0.7
131.04924	100.0
132.05252	3.7
135.01842	0.1
135.04446	0.2
137.05968	4.3
138.06320	0.2
143.04913	0.4
144.06616	0.1
145.04993	0.8
145.06451	0.9
149.06007	0.3
153.05464	4.5
154.05737	0.1
159.04323	0.2
160.05197	0.4
162.07576	0.3
163.07533	53.1
164.07886	2.2
167.07053	0.3
173.06041	0.3
175.07564	0.7
176.04672	0.3
177.05452	0.2
177.09077	0.9
179.07007	0.3
180.08658	0.6
187.07527	0.2
189.09094	0.2
191.07016	3.2
192.07420	0.1
195.06569	0.3
201.06606	0.2
203.07022	5.8
204.07373	0.4
205.08583	1.5
206.72301	0.1
209.07576	0.1
221.08061	1.3
223.09666	0.5
233.08087	1.8
233.11761	0.1
251.09119	0.2
307.39014	0.1
309.11194	0.3
311.12790	0.1
327.12161	0.2
339.12158	0.2
357.13342	0.8
369.45050	0.1
624.61566	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.6
61.27496	10.5
63.84791	11.6
67.05510	36.2
69.05179	100.0
69.05581	22.5
69.07063	11.7
71.79910	11.1
79.05466	26.4
81.07061	25.5
83.04968	16.8
83.08607	14.0
89.06038	59.9
91.05474	30.5
93.07047	32.5
95.08595	61.4
98.22762	45.4
105.07047	53.1
107.08582	47.0
109.10141	30.8
119.08593	36.6
121.10150	25.3
131.08574	21.2
133.08603	48.5
133.10161	35.9
135.11722	19.4
145.10161	25.2
147.11703	57.0
155.08533	22.3
157.10179	15.6
159.11676	21.6
161.13342	16.1
169.10168	22.2
171.11678	14.8
173.09634	21.6
175.30099	13.8
177.11218	15.0
183.11694	25.8
189.16367	13.0
194.10910	11.7
195.11646	13.8
197.09599	13.7
203.17975	39.6
207.11768	13.1
329.18857	11.3
387.80896	11.3
407.00085	12.5
459.25388	70.2
460.25748	19.2
461.26913	33.2
645.43164	26.1
663.43762	46.1
736.67944	15.7
738.92334	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	11.1
57.03432	10.8
57.07079	26.4
67.05500	31.1
69.07083	12.6
69.43705	12.7
71.08633	17.5
74.83685	2.6
79.05494	41.1
81.03429	4.3
81.07059	32.9
82.25963	2.6
83.04990	7.2
83.08616	10.8
85.10185	10.4
89.06043	4.5
90.17348	2.5
91.05482	29.9
91.21102	2.6
93.07056	36.5
95.04980	10.0
95.08617	28.6
97.02922	2.7
97.06544	2.8
97.10165	2.6
98.22627	5.5
105.07047	25.7
107.08591	8.5
109.06513	6.5
109.10174	7.8
117.07037	3.2
119.07801	2.6
119.08569	17.0
121.10152	4.4
123.08094	3.2
123.11718	5.4
129.06996	9.0
133.10136	8.8
143.08582	4.0
145.10153	3.6
147.11710	23.2
161.13283	5.1
171.11687	15.6
184.07416	8.2
189.12814	4.4
192.56647	2.5
207.13805	13.7
281.17493	51.0
282.17856	3.1
313.27386	43.5
500.84131	2.8
519.40466	100.0
520.40765	14.0
586.52252	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.6
57.07075	31.1
57.67455	1.1
59.04997	1.1
66.54218	1.1
67.05499	2.8
68.78072	1.1
69.07074	6.3
69.14677	1.9
69.15084	6.9
71.08631	25.5
73.06561	10.6
79.05487	2.2
81.07048	4.2
83.08612	3.7
85.10189	20.5
87.04469	9.5
89.06030	100.0
90.06343	2.7
91.05466	5.3
93.07060	2.2
95.08616	2.2
97.10175	5.3
98.23304	1.9
99.11718	2.1
105.07005	3.1
107.07042	2.8
107.08598	2.2
111.11715	4.5
112.78922	1.1
113.13262	2.3
117.07055	1.4
117.09148	9.7
119.08529	1.4
121.10123	1.6
125.13289	2.5
127.14837	1.5
129.06998	1.6
130.08635	1.7
131.07065	1.9
133.08607	51.2
141.06979	1.7
141.16380	2.0
143.08522	2.6
161.11681	2.4
170.85156	1.0
175.09706	1.9
177.11230	21.4
184.07315	2.6
197.22696	2.9
203.21840	1.1
219.12283	1.3
221.13795	3.8
222.13957	1.1
239.14943	1.3
239.18004	2.6
241.25351	1.3
285.27835	6.4
286.33884	1.4
323.12946	1.4
329.30478	2.7
332.12701	1.3
337.14264	2.7
369.16907	2.4
370.17822	2.5
401.14664	2.1
401.19577	14.5
402.19812	2.5
463.65903	1.1
503.30331	1.5
608.39575	1.4
699.51917	3.1
716.55347	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68048	0.2
63.70973	0.3
69.67464	1.0
81.07032	0.3
87.96397	0.3
93.07041	0.2
105.07043	0.2
118.20585	0.3
137.05977	0.3
146.66695	0.2
243.46667	0.2
344.95145	0.2
385.12451	0.2
475.21271	1.4
477.18307	0.3
493.21829	2.0
501.18869	0.3
519.19769	1.8
535.23096	0.3
537.20898	11.1
538.21442	1.7
553.24036	3.2
554.24072	0.4
579.21722	0.5
597.23041	100.0
598.23370	10.7
717.25079	24.0
718.25580	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68048	0.2
63.70973	0.3
69.67464	1.0
81.07032	0.3
87.96397	0.3
93.07041	0.2
105.07043	0.2
118.20585	0.3
137.05977	0.3
146.66695	0.2
243.46667	0.2
344.95145	0.2
385.12451	0.2
475.21271	1.4
477.18307	0.3
493.21829	2.0
501.18869	0.3
519.19769	1.8
535.23096	0.3
537.20898	11.1
538.21442	1.7
553.24036	3.2
554.24072	0.4
579.21722	0.5
597.23041	100.0
598.23370	10.7
717.25079	24.0
718.25580	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.2
57.03428	1.8
57.07076	1.7
60.04524	3.1
61.02929	4.1
65.59409	0.9
67.05505	10.5
69.03420	2.8
69.07080	5.3
69.25089	4.1
69.25516	4.3
73.02924	4.2
79.05471	6.7
81.03412	2.3
81.07049	10.5
83.04977	1.5
83.08619	2.1
85.02911	4.8
91.03969	2.4
91.05482	4.9
91.35670	1.0
93.07049	9.8
95.08604	10.0
97.02904	4.0
97.06533	2.2
97.10184	2.3
99.04481	1.2
101.02385	3.1
105.07035	3.6
107.08604	5.3
109.10165	3.2
117.07024	1.4
119.08582	2.5
121.10175	4.4
123.11700	1.3
127.03958	1.4
128.43306	1.1
131.08580	2.0
133.10164	2.0
135.11714	3.8
143.83156	1.1
145.10109	1.9
147.11749	2.7
159.11629	1.4
161.13304	1.2
184.07355	2.3
189.16489	1.4
243.08511	2.8
264.26901	1.6
282.28043	1.9
439.19415	3.2
459.25189	1.3
519.29266	7.0
520.29767	1.4
536.50464	8.0
537.50720	15.4
555.51648	3.1
717.41785	100.0
718.42340	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.8
55.01871	4.5
55.05504	34.1
57.03432	8.8
57.07068	11.5
61.02906	5.4
65.03932	4.1
67.05505	47.0
67.70875	2.9
69.03418	6.3
69.07073	48.1
71.08610	5.7
71.31029	4.4
79.05492	45.1
81.03417	27.0
81.06580	5.8
81.07059	93.1
83.04980	38.8
83.08627	19.7
84.08935	3.2
85.02911	7.3
85.06505	4.6
86.09698	9.4
91.03947	4.9
91.05477	67.8
93.07045	86.7
93.08509	3.2
94.07413	3.1
95.04941	16.5
95.08607	98.4
97.06557	5.4
97.10168	7.6
103.05481	9.1
105.07022	99.4
106.07383	4.1
107.04929	4.9
107.07868	3.9
107.08591	63.2
108.08881	3.0
109.06516	7.0
109.10159	38.1
111.04436	22.4
111.08075	17.3
115.05466	5.0
117.07011	21.2
119.05992	4.3
119.08581	97.8
120.08922	5.5
120.70341	2.9
121.06494	12.5
121.10139	47.3
123.08066	11.1
123.11692	25.3
124.99982	7.6
126.16180	3.0
128.06255	9.7
129.06995	15.2
130.07805	6.1
131.08559	35.7
133.10129	76.0
134.10411	4.4
135.08044	8.5
135.11690	25.8
136.12041	4.9
137.05937	4.0
137.09644	3.3
137.13199	4.7
139.07509	15.6
141.06964	7.7
142.07777	14.4
143.08568	27.9
144.09360	4.0
145.06442	4.8
145.10103	53.7
147.08055	8.0
147.11690	100.0
149.09636	3.7
149.13261	13.7
155.08546	23.6
156.09354	6.9
157.06488	4.5
157.10115	38.6
159.08075	11.0
159.11707	29.2
161.09602	13.7
161.13260	13.8
163.11182	10.4
163.14787	5.3
165.06993	8.6
166.07820	3.7
167.08554	10.7
168.09341	5.5
169.10126	27.3
170.10817	3.6
171.11688	30.8
173.09671	12.3
173.13280	14.3
175.11215	10.1
175.14821	7.5
177.12892	3.8
177.16376	9.0
178.07803	3.9
179.08557	7.3
180.09346	5.4
181.10127	13.5
182.10860	5.7
183.08026	4.7
183.11710	23.2
184.07303	28.8
185.09613	11.4
185.13284	13.7
187.11252	12.6
187.14870	6.8
189.12758	5.0
189.16402	29.7
191.17932	5.7
192.09340	6.2
193.10149	20.2
193.11774	3.5
194.10872	10.2
195.00398	4.1
195.08006	5.2
195.11710	26.0
196.12463	5.4
197.09613	7.8
197.13295	16.7
199.11157	13.0
199.14806	14.9
201.12683	6.0
201.16312	15.9
203.10670	3.7
203.17957	56.0
204.09331	5.9
204.18282	4.4
205.10126	12.6
205.12129	5.3
206.10902	9.3
207.11656	27.0
208.12413	6.6
209.13190	22.3
210.13881	5.3
211.11238	3.8
211.14832	11.7
213.12819	8.7
213.16524	3.2
215.10634	4.6
215.17982	8.5
217.10074	6.3
218.10841	6.0
219.11806	16.9
220.12439	7.9
221.13237	21.5
222.13994	5.1
223.11211	6.9
223.14836	13.7
224.11914	4.6
225.12767	9.0
225.16371	5.3
227.14346	6.8
229.10017	4.0
229.12169	4.4
231.11713	14.3
231.13766	4.8
232.12363	8.6
233.13303	15.0
235.11217	4.6
235.14859	12.9
237.12566	5.7
237.16359	7.6
239.14418	8.8
243.11629	7.6
244.12512	7.6
245.13184	12.9
245.15428	9.7
246.14005	9.4
247.11287	4.6
247.14787	14.4
249.12714	9.3
249.16393	9.4
251.14351	4.2
255.11560	3.8
256.12421	6.5
257.13071	7.3
257.15411	11.6
258.13910	6.5
259.14813	14.2
260.15591	11.9
261.12561	3.9
261.16428	14.8
262.16544	4.1
263.14511	5.2
263.17819	6.1
267.13766	8.4
271.14771	8.9
273.16397	11.9
274.17172	3.7
275.14136	5.6
275.17911	8.8
279.17624	4.8
279.20975	5.3
281.15491	4.6
283.15176	22.0
284.15762	9.6
285.16550	10.0
287.17850	7.7
289.16025	3.7
289.19263	6.4
295.17105	5.4
299.17776	7.5
301.19336	5.3
303.17700	4.4
303.21030	7.1
307.16888	5.0
311.25769	14.1
312.26181	9.7
313.27240	5.4
315.17453	5.8
315.20856	5.0
317.18814	5.5
319.16986	8.7
321.18436	4.2
329.18723	3.7
335.20096	4.7
343.19705	4.6
345.18613	4.2
347.19781	4.6
359.19910	4.3
387.23279	4.6
395.23505	4.3
399.23163	4.3
413.25037	4.6
415.26569	6.2
419.29681	4.9
433.27356	5.6
441.24255	10.3
443.25739	11.7
459.25327	58.8
460.25803	9.0
461.26764	28.9
462.27081	4.1
473.26575	3.5
477.26346	40.7
478.26770	4.9
479.27921	7.9
520.37109	15.7
521.38196	11.1
533.61047	4.3
545.37299	4.8
603.42474	15.1
617.43732	4.8
619.44910	6.2
621.42609	4.9
627.42035	8.8
635.43048	3.5
645.43250	26.6
646.43005	7.0
663.44110	73.3
664.43951	14.5
681.45013	18.9
682.45087	5.2
717.41278	85.8
718.41534	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02951	1.0
53.03945	2.1
55.01884	1.7
55.05511	5.8
57.03444	2.4
57.07084	1.5
61.02926	4.6
65.03954	1.4
67.05508	15.3
69.01118	6.3
69.01534	3.0
69.03441	3.1
69.07074	8.5
71.04992	1.3
73.02928	3.9
79.05508	10.4
81.03413	7.1
81.07060	17.6
83.04985	9.9
83.08634	2.7
85.02883	4.8
85.04519	0.9
86.09710	1.0
91.03967	2.3
91.05490	13.1
93.07052	20.2
93.07629	1.4
95.04954	2.3
95.08616	19.3
97.02907	4.9
97.06505	1.1
97.10200	1.5
99.04454	0.9
101.02432	1.0
105.07037	22.1
107.08596	18.3
107.09284	1.4
109.06531	2.0
109.10150	11.2
111.04451	5.1
111.08097	2.6
117.07063	3.8
119.08588	20.7
121.06525	1.5
121.10152	9.8
123.08092	1.6
123.11729	5.1
125.00076	1.0
128.06261	1.6
129.06119	0.9
129.07050	2.8
131.08572	10.7
133.10146	16.9
134.10513	1.0
135.08090	2.3
135.11699	8.9
139.07590	3.4
141.07071	1.3
142.07712	1.8
143.08551	6.3
145.10115	11.0
147.08035	1.3
147.11687	18.3
149.13307	1.6
155.08534	6.6
156.09393	3.0
157.10167	8.0
158.10666	1.2
159.08061	2.4
159.11713	6.7
161.09645	1.3
161.13300	3.1
165.07042	1.9
167.08572	2.4
168.09402	1.0
169.10098	6.9
170.10936	1.4
171.08167	1.1
171.11722	6.0
173.09653	3.3
173.13293	3.0
175.11244	2.7
175.14876	2.1
177.16483	3.3
179.08589	2.0
180.09352	1.2
181.10158	4.4
182.10857	1.2
183.11731	3.8
184.07350	3.2
185.09703	2.2
185.13269	4.5
187.11259	4.2
187.14873	1.9
189.16411	9.3
191.08528	1.1
191.17967	2.1
192.09395	2.0
193.10094	3.7
194.10954	2.0
195.11760	3.8
196.12483	1.7
197.09679	1.6
197.13304	4.2
199.11238	3.2
199.14903	3.8
201.12839	1.5
201.16431	4.8
203.17967	20.7
204.18407	1.0
205.10188	2.4
205.12260	1.0
206.10905	1.9
207.11711	6.4
209.13298	3.6
211.11250	2.1
211.14859	2.8
213.12769	2.1
213.16472	1.1
215.10704	1.4
215.14317	1.4
215.18062	3.0
217.10237	2.1
219.11720	2.5
221.13181	4.3
223.11424	1.4
223.14873	2.1
225.12823	1.7
225.16385	1.9
227.14383	3.5
229.10216	1.5
229.12321	1.2
230.10930	1.1
231.11673	2.5
231.13747	1.5
233.13300	4.7
235.14751	1.3
237.12793	1.7
237.16457	1.5
239.14355	1.8
243.08437	1.2
244.12546	1.4
245.13310	3.3
245.15517	2.5
246.14061	1.8
247.14832	4.2
249.12657	1.5
251.14534	1.2
256.12579	1.3
257.13162	2.2
257.15546	2.7
258.14240	1.3
259.14801	5.2
261.16400	2.3
263.14456	1.4
263.17911	1.3
265.12460	1.3
267.13898	1.8
269.15610	1.6
271.14868	1.6
272.15637	1.0
273.16443	3.0
275.17941	1.3
277.15952	1.2
284.15585	1.3
285.16486	2.2
287.18039	1.4
289.16080	1.3
293.15390	1.2
301.19525	1.6
303.17520	1.9
305.19061	1.2
307.17130	2.0
309.18878	1.3
313.19601	1.4
321.18658	1.4
325.18262	2.2
343.19553	2.0
359.19952	1.3
413.24710	1.7
415.26370	3.1
431.26010	1.1
433.27417	3.0
433.49924	1.2
439.19370	7.9
441.24432	3.7
443.25842	2.1
459.25302	18.0
460.25671	2.5
461.26807	8.5
473.26834	1.5
477.26379	14.0
478.26886	1.3
519.29352	4.1
523.35907	1.6
603.41797	3.8
604.41858	1.3
617.43799	1.7
619.45056	1.9
621.42303	1.9
627.42029	2.6
645.42786	7.4
646.43689	1.7
663.44263	20.6
664.44434	3.7
681.44861	4.7
717.41772	100.0
718.42139	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91620	2.3
53.03959	3.7
55.05521	14.8
55.05750	2.6
56.19733	2.3
57.07080	4.5
60.08163	8.7
65.03944	2.6
67.05508	26.8
69.03439	3.0
69.07075	20.6
69.12958	6.4
69.13376	14.6
71.07384	3.1
72.54747	2.1
79.05496	19.4
81.03424	17.0
81.07057	33.6
82.07430	2.3
83.04981	15.2
83.08633	5.8
85.02887	3.6
86.09711	30.8
91.05484	33.1
93.07042	38.9
95.04983	6.3
95.08611	51.6
95.09161	3.8
98.22617	3.9
98.23283	5.8
98.98456	3.2
105.07034	46.3
107.08601	30.5
109.02839	2.7
109.06548	5.1
109.10152	24.0
111.04470	7.5
111.08078	12.5
115.05486	3.9
117.07021	9.4
119.08580	54.6
121.06532	3.9
121.10149	24.4
123.08074	4.3
123.11750	11.8
125.00020	20.7
128.06250	3.9
129.07016	8.0
130.07774	3.7
131.08582	22.3
133.10147	45.0
135.08083	7.1
135.11697	13.9
137.13228	3.1
139.07545	8.9
141.06944	4.2
142.07805	7.4
143.08600	21.1
145.10141	30.1
147.08090	6.0
147.11684	49.0
148.12032	3.8
149.13283	7.7
155.08553	16.0
156.09332	5.7
157.10159	17.9
158.10880	3.0
159.08047	3.6
159.11670	17.6
161.09673	3.9
161.13211	12.0
163.11263	2.7
163.14818	3.5
165.06908	2.8
167.08575	3.0
169.10159	20.0
170.10789	2.4
171.08110	2.9
171.11676	20.1
173.09688	5.8
173.13254	6.8
175.11169	5.7
175.14838	6.7
177.16444	2.6
178.07874	2.8
179.08563	3.4
181.10097	13.5
183.11732	9.2
184.07352	100.0
184.12244	2.1
185.09659	6.9
185.13281	7.5
186.10089	2.4
187.11171	12.0
189.12727	2.4
189.16376	19.9
191.17957	2.9
192.09343	3.0
193.10176	10.4
194.10844	2.3
195.00319	3.7
195.11740	11.0
196.12462	2.6
197.09735	2.2
197.13306	7.7
199.11215	8.1
199.14868	6.9
201.16449	13.7
203.17964	33.8
205.10205	5.4
205.12105	3.0
206.10860	3.9
207.11629	11.7
208.12422	4.9
209.13272	10.6
211.11240	5.0
211.14859	7.3
213.12727	2.6
215.17972	4.1
217.10242	3.1
219.11806	8.1
221.09373	2.6
221.13268	8.2
222.13953	2.8
223.14870	6.0
225.12752	4.7
225.16411	3.6
227.14307	7.8
229.12265	3.5
230.10780	2.7
231.11705	4.7
232.12378	4.8
233.13245	9.8
234.13876	2.7
235.14830	7.9
237.12845	4.3
237.16170	3.4
239.14238	5.7
244.12648	4.3
245.13223	6.9
245.15466	10.7
246.13913	4.4
247.14890	6.4
249.16400	3.9
251.14456	4.9
251.17967	3.5
257.13086	5.0
257.15442	7.7
258.13983	4.8
259.14865	7.4
260.15509	3.8
261.16379	6.8
263.14465	2.6
263.17926	2.6
267.13809	5.8
269.13229	3.2
270.14224	2.7
272.15451	2.9
273.16425	4.5
274.16824	2.3
275.14447	3.0
277.15659	2.7
285.16357	6.1
287.17957	5.8
289.15939	3.1
289.19476	2.5
291.17368	3.5
293.15494	3.5
299.14105	3.3
301.19397	3.4
303.17664	3.4
303.21136	3.3
317.18967	3.5
321.18643	2.8
325.18436	4.1
333.18701	2.9
347.19998	3.2
359.27448	3.5
401.28348	4.1
409.20151	10.4
411.23685	3.3
413.24753	5.2
419.29449	9.7
423.21973	7.8
424.22977	2.9
436.56238	2.8
439.19507	2.7
441.24042	5.7
442.24289	2.8
453.19180	3.9
459.25269	38.7
460.25714	9.4
461.26712	14.9
477.26575	4.7
510.26065	3.0
511.27454	11.6
545.37805	6.7
555.26007	7.9
556.26361	2.9
581.27130	2.8
598.27777	8.0
603.41974	12.7
619.45612	4.1
625.26392	4.5
627.41614	5.1
643.27545	3.2
645.43042	14.7
646.42780	3.2
653.25775	6.4
657.28790	2.7
663.43964	33.2
664.44086	7.4
681.44653	7.3
685.28564	30.8
686.28552	5.9
699.29932	5.6
699.45850	6.7
717.30707	20.1
717.41766	33.3
718.31287	4.8
718.43036	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
57.03418	1.1
58.51875	0.5
61.02925	1.2
65.03934	0.7
66.04729	0.6
69.03427	3.7
70.06569	0.6
71.29104	0.6
73.02920	0.6
79.05493	0.8
80.30279	0.5
81.03409	1.6
81.07063	0.7
85.02905	12.5
91.03922	0.8
91.05460	0.9
93.03355	0.7
94.04192	2.9
95.04911	0.6
97.02881	4.5
99.04440	0.5
103.05471	1.9
107.04942	1.2
109.02847	0.7
109.06530	0.9
111.04421	1.0
115.05482	1.1
117.07006	1.1
119.04961	0.9
122.03645	5.6
125.06024	1.2
125.71700	0.5
127.03899	2.2
128.06229	1.8
129.06985	6.5
131.04910	4.5
131.08655	0.5
137.05969	100.0
138.06334	3.0
139.03871	0.8
139.34630	0.5
143.04875	2.0
145.04964	2.8
145.06436	2.9
146.03708	0.5
147.04413	2.3
149.05968	7.1
151.03920	1.6
151.07516	2.1
153.05475	2.2
155.04884	1.6
155.06070	0.5
157.06490	14.3
160.05205	1.0
161.05975	1.8
162.06682	1.2
163.07526	5.7
174.06728	3.8
175.07530	6.0
177.05444	0.6
177.09140	2.7
179.06996	1.5
180.08678	1.0
185.06015	0.6
187.07568	4.5
189.09091	24.3
190.06299	1.2
190.09409	0.9
191.07010	2.1
191.08496	1.1
203.08533	3.2
205.08560	8.9
207.08250	0.6
207.10168	1.3
210.41202	0.5
217.08586	24.1
218.08969	1.0
219.08063	3.7
220.08797	1.3
227.28409	0.5
231.08025	4.2
232.08755	1.9
235.09627	53.8
236.10042	2.1
247.07552	2.5
248.08263	4.7
251.10670	2.1
253.10764	1.5
259.07538	1.5
260.08218	0.7
261.09085	1.0
263.10657	5.4
264.07877	1.5
265.08606	1.1
276.07852	1.9
277.08536	1.2
279.10162	5.5
280.10822	1.7
281.61472	0.6
291.10123	15.9
292.10605	2.0
293.08139	1.3
296.10464	1.0
297.11139	0.6
299.12668	1.2
308.10333	1.4
309.11139	2.2
311.12729	10.7
323.12772	21.6
324.13025	0.8
329.13779	17.5
330.14148	1.0
341.09650	1.0
341.13828	18.7
342.14258	1.3
359.14853	4.5
374.33908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
57.03418	1.1
58.51875	0.5
61.02925	1.2
65.03934	0.7
66.04729	0.6
69.03427	3.7
70.06569	0.6
71.29104	0.6
73.02920	0.6
79.05493	0.8
80.30279	0.5
81.03409	1.6
81.07063	0.7
85.02905	12.5
91.03922	0.8
91.05460	0.9
93.03355	0.7
94.04192	2.9
95.04911	0.6
97.02881	4.5
99.04440	0.5
103.05471	1.9
107.04942	1.2
109.02847	0.7
109.06530	0.9
111.04421	1.0
115.05482	1.1
117.07006	1.1
119.04961	0.9
122.03645	5.6
125.06024	1.2
125.71700	0.5
127.03899	2.2
128.06229	1.8
129.06985	6.5
131.04910	4.5
131.08655	0.5
137.05969	100.0
138.06334	3.0
139.03871	0.8
139.34630	0.5
143.04875	2.0
145.04964	2.8
145.06436	2.9
146.03708	0.5
147.04413	2.3
149.05968	7.1
151.03920	1.6
151.07516	2.1
153.05475	2.2
155.04884	1.6
155.06070	0.5
157.06490	14.3
160.05205	1.0
161.05975	1.8
162.06682	1.2
163.07526	5.7
174.06728	3.8
175.07530	6.0
177.05444	0.6
177.09140	2.7
179.06996	1.5
180.08678	1.0
185.06015	0.6
187.07568	4.5
189.09091	24.3
190.06299	1.2
190.09409	0.9
191.07010	2.1
191.08496	1.1
203.08533	3.2
205.08560	8.9
207.08250	0.6
207.10168	1.3
210.41202	0.5
217.08586	24.1
218.08969	1.0
219.08063	3.7
220.08797	1.3
227.28409	0.5
231.08025	4.2
232.08755	1.9
235.09627	53.8
236.10042	2.1
247.07552	2.5
248.08263	4.7
251.10670	2.1
253.10764	1.5
259.07538	1.5
260.08218	0.7
261.09085	1.0
263.10657	5.4
264.07877	1.5
265.08606	1.1
276.07852	1.9
277.08536	1.2
279.10162	5.5
280.10822	1.7
281.61472	0.6
291.10123	15.9
292.10605	2.0
293.08139	1.3
296.10464	1.0
297.11139	0.6
299.12668	1.2
308.10333	1.4
309.11139	2.2
311.12729	10.7
323.12772	21.6
324.13025	0.8
329.13779	17.5
330.14148	1.0
341.09650	1.0
341.13828	18.7
342.14258	1.3
359.14853	4.5
374.33908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01861	0.8
58.03363	0.4
59.62732	0.4
61.00742	0.4
68.80453	0.5
69.09305	2.3
69.09726	1.6
74.29462	0.4
79.05482	1.7
81.07044	0.7
85.02895	1.7
91.05478	3.8
93.07041	1.3
94.04170	3.2
95.04966	1.0
97.02879	0.5
103.05479	6.2
105.07033	2.1
107.04957	2.4
107.08580	0.9
108.33295	0.5
109.06535	2.4
112.34312	0.4
115.05429	3.0
117.07024	1.6
119.04182	0.4
119.04909	2.4
121.06516	2.3
122.03654	5.8
123.08062	2.1
123.74097	0.5
128.06209	0.7
129.06999	2.5
131.03993	0.8
131.04929	12.6
131.08559	0.8
133.06497	1.4
135.08034	1.6
136.05190	0.6
137.05974	100.0
138.06345	2.6
143.04904	2.1
144.05795	0.5
145.06497	1.8
146.03668	1.5
146.07216	0.6
147.04436	0.7
148.05168	0.7
149.05986	1.6
149.09622	1.2
151.03932	0.8
151.07542	25.0
152.06201	0.6
152.07803	0.5
157.06512	1.7
159.08031	0.7
160.05211	0.9
161.05975	20.3
161.09592	3.1
162.06422	0.6
163.07542	31.2
164.07918	0.9
165.07008	0.7
165.09114	1.2
166.07770	0.5
169.06483	0.5
174.06761	1.5
175.07549	8.3
177.09085	5.3
178.07800	0.4
179.07120	0.6
179.08562	0.9
182.07144	0.6
187.07567	1.0
189.07205	0.8
189.09102	9.8
190.07634	0.6
191.06990	0.8
191.08597	1.2
193.06516	0.8
194.07268	1.6
195.08267	0.7
195.10167	13.0
196.10582	1.0
201.09120	0.7
205.06522	1.9
205.08447	0.9
205.10291	0.5
206.07365	0.5
207.08147	1.3
207.10117	9.4
208.08748	0.6
208.10513	0.6
209.09695	0.8
210.06789	1.1
211.07516	0.8
217.06535	0.7
218.07265	1.3
219.08061	2.3
219.10178	8.3
220.10645	0.5
221.05992	1.4
221.09555	1.1
221.11552	0.6
222.06763	1.8
223.07539	1.2
224.08318	0.8
225.09077	1.8
231.08115	0.8
233.06033	1.2
233.09717	0.7
234.06731	0.8
235.07539	2.7
236.08351	0.5
237.09100	4.9
238.06134	0.7
239.06967	0.8
239.10738	1.2
241.08586	0.7
245.09587	0.6
247.07553	1.4
248.08421	0.4
249.09195	2.5
250.06248	0.8
250.09894	0.7
251.07022	1.2
251.10716	2.2
252.07655	1.0
253.08577	3.0
254.09296	0.6
261.09119	1.6
262.06104	1.1
263.06970	0.6
264.07803	1.3
265.08566	8.9
265.11938	0.7
266.09256	1.7
267.10168	3.0
268.07382	0.9
269.08142	1.9
269.11691	0.5
270.08893	0.6
277.08630	4.8
278.09235	0.7
279.10126	5.7
280.10803	1.5
281.08194	1.1
281.11685	1.0
282.08896	0.8
283.09619	4.1
284.10327	1.3
285.11227	7.0
286.11655	0.6
287.12732	0.7
291.10226	1.0
293.11707	1.4
294.08777	0.6
295.09650	1.8
296.10342	1.4
297.11197	18.1
298.11685	1.6
299.12964	2.8
300.12988	0.6
305.11792	0.9
309.11234	4.2
309.14523	0.7
310.11890	0.9
311.12787	18.7
312.13068	1.4
313.14343	1.0
317.13986	3.5
323.12692	2.1
325.14499	0.9
327.12360	0.9
331.15283	0.6
332.57266	0.5
337.14478	2.1
341.13654	1.4
343.15436	12.6
344.15723	0.9
351.15860	0.7
355.15704	3.7
357.17020	1.0
367.15524	0.8
369.16873	1.3
403.15421	0.6
421.73700	0.5
429.17032	0.7
435.17825	0.8
445.16498	0.5
447.17987	0.9
459.17978	1.9
460.18823	0.6
461.19553	9.3
462.20035	1.2
463.60257	0.5
465.98477	0.5
473.19824	0.8
479.20615	18.2
480.20859	2.6
491.20682	17.3
492.20966	2.1
493.22189	12.5
494.22589	1.0
503.20795	0.6
509.21698	6.2
510.21838	0.5
705.06653	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37615	0.4
61.02925	0.5
63.42848	0.4
65.03924	0.6
66.04712	0.6
69.03442	0.9
71.30587	0.8
79.05501	0.7
81.07075	0.5
85.02909	3.3
87.73293	0.4
91.05495	2.0
94.04198	2.6
96.79896	0.4
97.02879	1.2
99.17753	0.4
103.05505	0.6
104.64434	0.4
107.04952	0.7
109.06524	1.2
119.04931	1.4
122.03647	5.8
123.04451	0.6
131.04942	1.1
137.05974	100.0
138.06293	2.8
145.04987	0.4
147.04424	0.5
149.05960	1.7
151.03912	0.8
151.07550	4.6
155.08604	0.5
159.08107	0.5
161.05989	0.6
163.07545	2.7
165.06956	0.6
167.07021	0.5
171.08032	0.4
175.07545	2.0
177.05478	0.9
179.07079	1.4
180.08716	0.4
181.06467	1.3
182.07198	0.4
187.07538	1.2
189.09045	1.0
195.08156	0.7
198.06862	0.5
199.07510	1.2
201.08995	0.9
206.50533	0.4
206.65088	0.4
210.06570	0.4
211.07495	0.6
213.09099	3.9
213.11046	0.5
215.10538	0.8
217.08580	1.0
219.10164	0.6
225.09209	1.3
229.05008	0.4
231.10190	0.6
233.11777	0.4
243.10204	1.5
245.09680	0.6
248.08276	0.6
257.09583	1.4
259.07428	0.5
259.09662	3.9
261.08829	0.7
261.11295	1.9
273.09094	0.7
274.09808	0.9
275.10709	0.9
276.07822	0.5
277.08554	1.4
283.09665	1.4
284.10403	0.4
285.09033	1.1
286.09811	0.9
287.10571	0.5
288.07916	0.7
289.12247	0.9
291.10202	2.3
293.11603	0.7
297.11411	0.5
301.08658	0.9
301.12192	0.4
302.09406	0.9
303.10129	1.4
305.11737	1.4
307.09592	1.2
308.10162	0.5
309.11322	1.1
317.11761	3.3
320.10342	0.4
321.11234	1.5
322.11880	1.2
323.12811	0.9
329.11780	1.8
333.11475	0.6
334.11722	0.7
335.12589	2.0
337.14444	1.3
339.12201	0.6
341.13879	1.7
347.12732	1.2
349.14243	2.4
353.14148	1.9
355.15277	2.2
361.14465	1.2
365.13968	0.8
366.14209	0.5
367.15399	17.8
368.15692	1.7
369.16916	0.7
379.15451	6.9
385.16519	1.7
397.16428	7.7
398.16611	0.8
416.42752	0.5
473.19662	1.4
485.19559	1.8
491.20651	4.6
503.20697	6.1
521.21698	7.1
522.22302	0.7
529.29474	0.4
542.09918	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
60.24124	0.4
65.03941	0.5
67.05499	0.5
69.03428	0.9
69.08469	1.1
69.08883	2.7
79.05493	1.9
81.03405	0.6
81.07050	0.7
85.02896	1.7
91.05482	5.0
92.66916	0.4
93.07034	1.5
94.04201	2.9
95.04970	0.7
97.02892	1.0
98.23312	0.7
103.05470	7.4
105.07034	2.2
107.04958	1.7
107.08600	0.8
109.06519	2.3
115.05463	2.3
117.07003	2.4
118.04161	0.5
119.04942	2.4
119.08633	0.4
121.06495	2.5
122.03651	6.2
123.08044	2.2
125.05924	0.4
128.06224	0.7
129.06995	2.4
131.03987	0.9
131.04933	13.8
131.08551	1.4
133.06490	1.1
135.08038	2.1
136.05144	0.6
137.05977	100.0
138.06302	3.3
143.04939	1.3
144.05762	0.5
145.06499	1.4
146.03636	1.4
146.07219	0.5
147.04410	0.7
147.08017	0.8
148.05193	0.6
149.05978	1.4
149.09604	0.9
151.03918	1.2
151.07542	26.0
152.07957	1.0
157.06490	1.9
159.04401	0.8
159.08011	0.9
160.05171	1.0
161.05986	20.8
161.09627	3.6
162.06372	1.1
163.07541	29.7
164.07870	1.1
165.05521	0.6
165.06969	1.0
165.09126	1.5
167.08533	0.5
169.06488	1.1
174.06805	2.2
175.07562	7.7
177.05450	0.4
177.09114	5.3
178.07796	0.6
179.07005	0.8
179.08530	1.5
181.06456	0.5
187.07567	1.2
189.09109	9.5
189.12622	0.5
191.07007	0.6
191.08571	1.8
191.10402	0.6
193.06477	0.6
193.10103	0.6
194.07292	1.0
195.08238	1.1
195.10153	13.4
196.10558	0.5
197.05893	0.6
197.09517	0.6
201.09087	0.9
205.06499	2.2
205.08418	0.9
207.08105	1.7
207.10158	10.0
208.08757	0.5
209.09584	1.4
210.06786	0.8
211.07562	1.1
213.09154	0.9
217.06549	0.7
218.07231	0.9
219.08026	3.0
219.10179	8.2
221.05974	1.8
221.09608	0.7
222.06735	1.4
223.07474	1.5
224.08301	0.9
225.09108	2.0
227.10672	0.5
231.08206	0.5
233.05980	1.2
233.09599	1.9
234.06775	1.8
235.07571	1.8
236.08261	1.2
237.09102	5.0
238.06178	0.5
238.09975	0.5
239.06981	0.8
239.10660	1.8
240.07695	0.7
241.08580	0.8
241.12128	0.5
247.07524	1.2
248.08347	0.7
249.09071	2.6
250.06291	0.8
251.06961	1.2
251.10846	2.3
252.07800	0.9
253.08641	4.0
254.09488	0.6
261.09113	1.6
262.06293	0.5
262.09888	0.4
263.07098	1.3
263.10693	0.5
264.07733	1.2
265.08643	9.0
265.11676	1.0
266.09311	1.4
267.10089	2.7
268.07306	0.7
269.08084	1.5
271.09866	0.5
277.08578	5.2
278.09314	1.1
279.10175	5.6
280.10809	1.3
281.08044	1.1
281.11404	0.7
282.08929	0.8
283.09589	3.6
283.12350	0.5
284.10324	1.6
285.11215	6.9
286.11667	0.5
287.12857	0.5
291.10052	1.0
293.11743	1.7
294.08878	0.7
295.09732	2.0
296.10355	0.9
297.07950	0.8
297.11212	16.2
298.11588	1.6
299.12744	2.5
305.11737	0.7
309.11197	4.5
310.11874	1.4
311.12766	18.3
312.12976	1.2
313.14374	1.0
313.48380	0.4
313.64432	0.5
317.13858	3.4
323.12686	1.8
325.14362	1.1
327.12228	1.7
329.13721	0.5
337.14380	1.8
341.13794	1.0
343.15411	10.7
344.15845	0.6
345.79794	0.5
355.15433	2.9
357.16983	0.9
367.15244	0.5
369.16772	1.7
413.13452	0.6
429.16931	0.8
446.53033	0.4
447.18155	0.7
459.17953	1.6
461.19531	10.2
462.20074	1.0
473.19492	0.7
479.20630	18.7
480.20966	1.9
491.20685	16.9
492.20755	1.4
493.22226	10.4
494.22394	1.1
503.21008	0.5
509.21689	6.0
510.21939	0.6
625.10980	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	69.2
55.11490	4.7
66.25900	4.7
71.32005	5.6
81.07057	27.6
83.04981	100.0
90.30661	4.6
91.05481	8.0
93.07100	5.8
95.04963	8.6
95.08624	6.5
109.06544	15.2
121.06483	7.1
123.08098	8.2
128.14883	5.9
133.06523	6.4
137.05965	43.4
141.06830	4.5
143.08586	8.3
143.26801	5.1
145.06477	8.8
147.08105	7.1
149.06004	6.4
155.08534	5.2
159.08058	9.6
161.09612	5.9
169.06505	5.4
171.08095	11.6
173.09708	5.1
175.11302	7.6
179.08516	6.5
183.08093	13.2
184.07343	13.6
185.09793	5.4
197.09621	9.6
205.10281	6.3
207.11688	5.3
209.09598	8.0
211.11218	6.2
219.08133	5.3
219.11623	5.1
221.09700	6.5
223.11179	8.0
227.10596	4.9
231.11742	5.6
233.09689	12.9
235.11182	12.8
247.11253	11.2
249.12787	10.7
261.12753	9.5
263.10776	8.9
263.14438	5.6
265.12280	10.7
275.10550	6.4
275.14291	11.0
277.12296	8.3
279.13980	8.3
281.11649	10.8
285.12830	9.2
287.14230	6.7
291.13794	8.9
293.11816	7.0
303.13684	14.0
304.26202	5.3
315.13834	7.7
321.14792	10.7
323.38193	5.0
333.15100	6.0
351.15866	6.3
379.15350	8.2
382.21701	5.5
385.17368	5.6
389.17117	5.7
391.19244	6.0
397.16229	25.4
401.17395	52.2
402.17950	14.7
403.18863	14.2
413.17563	8.6
415.18979	9.2
419.18539	88.1
420.19022	18.5
421.20084	21.1
431.18622	25.6
433.20157	17.5
437.19562	36.6
449.19632	42.4
451.21255	11.4
459.18063	18.7
467.20490	47.5
468.21030	6.0
477.19101	42.2
478.19119	7.1
495.20160	96.4
496.20456	12.0
513.21039	16.5
527.22601	7.4
567.26013	6.5
595.25391	36.9
655.27594	10.2
718.34137	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
55.01864	2.3
55.05502	11.4
56.86347	0.6
57.03429	3.7
59.04995	1.0
59.30896	0.6
59.83828	0.6
61.02921	5.0
62.64520	0.7
62.85009	0.6
65.87400	0.6
67.05498	2.5
69.03426	11.8
69.07060	2.6
70.10529	1.5
71.04985	2.7
73.02917	6.6
79.05501	1.3
81.03405	2.8
81.07043	3.7
83.04979	8.3
83.08619	10.6
85.02901	52.2
85.06549	1.3
86.03195	0.8
87.04453	1.8
90.65432	0.6
91.03950	3.5
91.05477	2.0
93.07036	5.1
95.04965	13.4
95.08595	2.9
97.02885	18.1
97.06525	2.9
97.10171	2.4
98.22598	0.8
99.04457	5.2
99.08054	0.8
103.03947	0.7
105.07041	3.4
107.08588	8.8
109.02859	3.4
109.06526	4.5
109.10139	8.0
111.04485	0.8
111.08073	3.0
113.09610	0.7
115.03928	5.3
115.07553	4.1
119.04966	0.7
119.08574	1.6
121.10133	10.8
123.08096	1.0
123.11716	2.0
125.09602	3.0
127.03903	14.1
127.04788	1.1
131.04918	1.5
131.08585	1.1
132.05208	1.1
133.04965	7.2
133.10126	8.2
135.08009	1.3
137.05957	0.9
139.11180	1.5
145.04951	28.7
147.04382	1.9
147.11658	2.0
149.13260	2.0
150.17004	0.6
151.11180	16.4
153.09088	5.6
154.09608	0.6
159.25615	0.6
163.06003	18.9
163.14787	1.8
167.14307	18.4
173.13210	4.4
175.07448	0.8
191.14297	5.8
209.15356	100.0
210.15672	5.3
219.81270	0.6
227.16414	11.7
241.07121	1.3
259.08157	3.0
277.09158	1.4
289.09119	1.5
295.10321	3.7
295.13141	0.6
325.07669	1.1
325.11234	14.3
341.19629	1.8
349.91138	0.7
491.40872	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	0.3
56.05038	0.7
56.81330	0.1
57.07071	0.3
58.06611	0.4
60.08163	5.1
61.07294	0.1
67.05507	0.7
69.07050	0.4
69.15416	1.1
71.07371	2.9
71.08631	0.2
79.05484	0.5
81.03419	0.2
81.07049	0.7
83.04948	0.3
86.09705	26.5
87.09425	0.1
87.10040	0.5
91.05483	0.5
93.07037	0.7
95.08620	0.8
96.08920	0.2
98.98466	3.2
104.10752	1.9
105.07039	0.8
107.08614	0.4
109.10169	0.4
109.86337	0.1
110.83834	0.1
111.08098	0.1
117.07012	0.1
119.08587	0.7
120.08911	0.2
121.10186	0.3
123.08044	0.2
125.00004	17.8
126.00337	0.1
129.06963	0.2
131.08559	0.2
133.10133	0.3
133.41887	0.2
134.10498	0.2
135.11748	0.2
136.82863	0.1
139.07555	0.2
143.01117	0.2
143.08562	0.3
145.10155	0.4
147.11736	0.6
148.12047	0.2
157.10085	0.2
159.11684	0.3
166.02655	0.2
169.10135	0.2
171.11852	0.2
177.05322	0.2
184.07341	100.0
185.07727	1.7
203.18004	0.4
204.18234	0.2
283.15430	0.3
304.04517	0.2
306.03586	0.1
398.15753	0.1
410.72214	0.1
460.25897	0.5
461.26599	0.2
478.33051	0.2
496.34512	0.1
521.38635	0.2
523.30603	0.2
546.38367	0.3
583.32544	0.8
664.44916	0.5
718.46716	5.1
719.46033	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.0
55.01869	5.0
55.05281	0.9
55.05513	11.0
57.03165	0.8
57.03438	12.9
57.07076	20.7
59.05009	1.6
60.71258	0.6
61.02921	4.5
65.03929	0.9
67.05504	12.1
69.03416	1.5
69.06799	0.6
69.07075	6.2
69.14023	1.7
69.14426	3.2
71.01344	0.7
71.04971	2.4
71.08630	15.7
73.02896	1.0
79.05495	12.8
81.03413	5.8
81.07059	16.8
83.01340	6.6
83.04979	7.3
83.08611	10.2
85.02901	4.8
85.06535	1.0
85.10178	9.3
86.09676	0.7
89.06010	1.0
91.03966	1.6
91.05473	6.6
93.07039	12.6
95.04973	3.2
95.08048	1.0
95.08605	12.7
96.08935	0.7
97.02859	3.4
97.06541	2.3
97.10165	2.5
98.22594	1.4
99.04467	1.7
103.07600	1.4
105.07026	4.5
107.04944	5.4
107.08591	6.5
109.06517	3.6
109.10172	5.9
111.04435	1.3
111.08110	0.8
117.07061	3.2
119.08591	4.7
121.06494	1.8
121.10128	4.3
123.08043	4.9
123.11728	1.2
124.99979	0.7
125.09583	0.8
129.07047	0.7
130.07803	0.6
131.04921	1.4
131.08539	1.0
133.10112	1.5
135.08054	1.9
135.11671	7.1
137.13235	0.9
145.10117	8.9
147.08063	0.7
149.09662	0.6
153.12772	1.2
155.08611	0.8
163.11183	12.6
173.09673	1.5
181.12257	2.0
184.07289	3.7
191.10657	1.7
209.11774	4.6
227.12744	3.9
239.23726	2.5
257.24756	1.0
283.15387	100.0
284.15704	6.8
313.27338	72.0
314.27695	6.2
401.13843	0.7
521.38373	45.8
522.38721	7.2
622.27454	0.9
718.41711	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07164	1.7
55.01869	3.3
55.05506	9.3
57.03436	4.7
57.07073	29.2
61.02919	1.8
67.05505	15.3
69.03432	2.9
69.07064	11.2
71.05010	3.0
71.08631	16.5
79.05485	14.0
81.07058	27.1
83.04963	3.2
83.08619	13.2
85.06522	2.0
85.10185	9.7
89.06026	11.0
90.06377	2.0
90.86038	1.9
91.05501	7.4
93.07041	31.1
95.04994	4.8
95.08606	37.0
97.02902	4.1
97.10161	3.8
98.23346	6.5
99.04461	3.9
105.07046	6.4
107.04964	5.8
107.08578	18.4
109.06584	2.0
109.10155	8.1
111.63972	2.3
117.06998	4.6
119.08598	7.6
121.06516	6.9
121.10149	9.1
125.05969	3.5
133.08626	5.0
133.10156	3.5
134.08916	2.9
135.11681	31.2
145.10135	20.8
163.11180	40.4
172.26181	1.9
181.12257	9.0
184.07404	7.1
222.77849	1.8
227.12764	52.3
227.14786	3.6
257.24826	2.2
283.15384	79.9
284.15884	4.3
313.27371	100.0
314.27664	7.5
379.55899	2.0
402.19833	2.2
521.38385	94.0
522.38446	7.5
621.48358	5.4
718.40710	3.0
719.43884	12.5
733.08221	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.6
54.98837	1.1
55.01871	2.7
55.05512	30.0
57.03439	16.7
57.07077	7.1
60.08163	1.9
61.02922	3.2
65.03960	2.4
67.05505	35.4
68.05785	1.1
69.03428	5.9
69.07068	31.0
69.47662	3.8
69.48074	2.1
71.04990	3.6
71.08626	3.8
73.02914	2.0
73.06588	1.1
79.05497	28.2
81.03417	46.1
81.07059	49.3
82.03742	1.7
83.04982	17.1
83.08618	35.6
84.08913	1.3
85.02903	24.0
85.06558	2.1
85.10178	1.5
86.09707	8.8
91.03955	2.0
91.05481	31.8
93.07042	25.8
94.26967	1.0
95.04967	22.3
95.08605	25.5
96.08952	1.2
97.02886	4.2
97.06554	6.3
97.10172	13.5
105.04539	1.1
105.07029	21.7
106.07358	1.1
107.04947	6.2
107.08599	17.0
109.06528	3.9
109.10138	9.2
111.04433	2.5
111.08073	12.2
112.77434	1.1
113.06006	2.1
115.05424	1.7
117.07014	2.5
119.08579	17.6
121.06538	2.8
121.10136	24.5
123.08064	4.5
123.11707	6.4
125.00008	5.6
125.09650	2.8
129.07007	8.9
131.08554	11.6
133.06479	3.4
133.10130	13.5
134.10477	1.4
135.11684	9.0
137.09601	2.1
137.13261	1.5
138.08458	1.3
139.11169	1.7
142.07816	1.9
143.08557	2.1
145.10104	6.5
147.07996	5.0
147.11684	13.1
149.09651	6.0
149.13287	4.8
151.99374	1.1
155.08568	1.8
157.10120	16.0
159.11687	3.3
161.13208	1.9
165.12770	2.7
169.10046	1.1
175.11200	11.1
177.16422	1.3
184.07343	21.5
184.08916	1.4
185.07693	1.5
185.13367	1.2
189.16501	1.4
193.12242	37.1
194.12605	1.5
195.11754	1.3
199.14857	1.6
210.46727	1.0
211.11258	2.8
211.13289	58.0
212.13705	2.9
237.16414	1.3
237.22127	1.9
256.56168	1.1
259.14929	1.4
267.15921	18.9
285.16962	74.8
286.17249	4.1
289.44064	1.1
292.86044	1.2
311.25793	79.7
312.26147	4.0
355.15524	1.4
503.24695	1.4
503.37411	16.6
504.37448	1.8
506.37335	1.3
521.38367	100.0
522.38672	11.6
668.61554	1.3
671.21680	1.1
718.43738	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65510	0.4
69.27824	1.5
69.28242	1.5
98.23452	0.5
103.05480	0.7
129.30594	0.5
131.04984	0.5
137.06046	0.9
161.36429	0.5
184.07376	0.7
191.08237	0.6
270.31229	0.5
277.09433	0.4
290.05853	0.4
301.10809	2.1
318.03409	0.5
372.15814	0.5
379.11646	1.5
394.13934	0.8
395.14999	1.0
411.14008	0.9
418.59729	0.5
427.17279	1.1
441.78769	0.5
499.17322	0.8
511.17398	1.0
527.17145	1.1
541.18604	2.0
542.19073	1.3
543.19122	0.7
557.21240	9.7
558.21466	1.2
589.22284	0.6
719.26740	100.0
720.27081	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26554	0.4
61.12818	0.3
67.05506	0.8
79.05499	0.9
81.03413	0.4
81.07075	1.0
86.09702	0.5
91.05476	0.7
93.07066	0.9
95.08614	0.9
98.22533	0.8
98.23220	1.8
101.82487	0.4
105.07050	1.1
105.52813	0.4
107.08593	0.5
109.10138	0.6
118.06583	0.4
119.08578	0.6
120.08131	0.6
131.08580	0.4
133.10199	0.5
134.47441	0.4
135.11653	0.4
144.08020	0.4
145.10190	0.5
147.11789	0.4
157.10077	0.4
159.11676	0.5
172.03877	0.4
184.07404	0.9
195.09238	0.4
196.09883	0.4
197.10762	0.5
203.17973	0.4
204.06647	0.7
208.09924	0.4
209.10846	0.9
210.11516	1.0
211.12303	0.7
219.11711	0.4
220.12682	0.4
221.10800	0.9
221.13373	0.4
223.08716	1.1
223.12355	2.0
224.13106	1.1
225.10258	1.2
225.13864	3.5
226.14540	1.0
233.10831	0.4
235.12253	0.6
236.13081	0.4
237.10318	0.6
237.13878	2.4
238.14737	0.8
239.15485	0.5
247.12306	0.7
249.10027	0.4
249.13763	1.6
251.08109	2.5
261.13776	0.7
265.13272	0.7
270.13596	0.4
273.13721	0.4
277.06250	0.5
293.12979	0.4
313.27380	0.4
314.12933	0.7
316.14423	0.8
324.11496	0.5
324.15039	0.4
342.16116	0.4
354.12540	0.4
356.13751	0.6
358.15604	0.4
366.16061	0.5
384.17273	0.4
389.13480	0.5
389.17682	1.1
391.19522	0.5
399.19272	0.6
403.15503	1.4
403.19998	0.5
404.16113	0.8
405.21100	0.7
415.15915	0.5
417.16931	5.1
418.17752	3.5
419.18515	1.3
419.23087	0.6
429.17868	0.4
430.18478	0.7
431.18695	3.2
432.19427	3.5
433.19974	4.3
434.21097	0.9
435.44693	0.4
445.16666	1.9
446.21817	0.7
447.21957	11.3
448.22571	2.2
459.17322	0.7
459.22495	0.7
460.19122	1.2
461.19043	1.7
462.20715	0.4
463.28021	0.4
473.19980	0.5
474.20483	0.7
475.21252	24.5
476.21854	6.6
477.22461	0.8
479.25043	0.5
487.21304	1.2
488.22192	0.5
489.22809	1.3
493.22476	0.6
503.20416	2.9
504.21344	0.5
506.23993	0.4
507.24173	1.4
515.21143	0.6
519.24335	1.9
521.22150	0.6
523.40125	0.7
533.25116	0.5
534.26233	0.8
535.23273	16.3
536.23468	2.2
547.23212	3.3
549.24976	2.3
561.25012	7.6
562.25909	3.2
563.26483	3.3
579.25787	0.9
589.24701	0.6
590.24896	1.0
607.25989	1.3
608.25604	0.5
621.27069	11.3
622.27826	100.0
623.28113	15.3
719.34290	1.2
719.44623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.7
53.03936	1.7
55.01846	0.6
55.05497	1.8
57.03432	1.1
57.07079	1.8
57.07315	0.4
61.02911	0.4
67.05504	2.1
69.07053	1.5
71.08632	1.3
71.30390	0.5
73.13869	0.4
77.03920	0.7
79.05474	1.8
81.03399	1.5
81.07055	2.7
83.04978	0.7
83.08617	1.3
85.02892	0.7
85.10172	0.7
91.05466	1.9
93.07039	2.4
95.04977	2.9
95.08610	3.9
97.10155	0.4
103.05466	48.4
104.05803	1.1
105.04538	1.0
105.07011	2.0
107.04972	0.5
107.08573	1.8
109.06537	0.4
109.10133	1.7
111.04424	0.4
117.07069	0.4
119.08587	1.8
121.10137	1.6
123.11710	0.9
125.55281	0.4
131.04922	100.0
132.05261	3.3
133.10114	1.5
135.11707	1.1
137.09653	0.4
139.07539	0.6
141.06894	0.5
143.08594	0.6
145.10095	0.9
147.11684	1.7
149.13297	0.5
153.01276	0.5
161.13280	0.6
163.11205	1.1
164.11565	0.4
167.07101	0.9
168.58034	0.4
184.07352	1.7
189.16299	0.4
193.12277	0.4
203.17929	3.7
204.18282	0.6
211.13333	0.9
221.13432	0.5
227.12700	0.6
234.72839	0.4
267.15952	0.7
277.08923	0.5
279.10107	0.6
283.15405	3.0
284.15756	1.5
285.17001	0.9
293.11606	0.5
295.09897	0.8
295.13068	0.4
307.09647	0.5
307.38815	0.5
307.50391	0.5
310.12213	0.5
312.09879	0.5
313.11014	0.5
313.27332	4.5
314.27863	1.9
319.09421	0.5
321.11203	0.8
323.09131	0.6
323.12915	0.7
325.14285	0.9
339.12149	1.0
353.13861	1.0
354.14456	0.9
385.16498	9.9
385.21387	0.6
386.16718	0.9
397.16306	0.8
432.19321	0.4
433.20511	0.7
447.21960	0.9
461.19354	0.6
475.20959	1.9
478.23242	0.5
505.26434	0.6
515.20532	1.6
520.28168	3.1
521.37988	0.6
522.38879	3.6
523.39398	2.8
535.23108	1.3
557.32507	1.3
558.33392	0.7
588.34540	3.1
589.35187	23.4
590.35394	4.1
622.27783	9.0
623.27832	1.6
631.35797	0.6
701.47150	0.5
719.39136	5.4
720.38916	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92792	0.9
55.01866	1.2
55.05517	15.7
57.07077	23.1
67.05514	6.0
69.03413	1.0
69.07068	24.0
69.22300	4.1
69.22726	3.4
70.65186	1.0
71.08634	15.6
77.18675	1.1
79.05485	3.0
81.07064	13.6
83.05054	1.1
83.08614	13.9
85.10183	7.3
90.59381	0.9
91.05482	2.8
92.04623	0.9
93.07038	2.3
93.51598	1.1
95.08609	10.5
97.10162	10.5
105.07026	3.1
107.08590	3.8
109.10162	6.5
111.04457	1.1
111.11737	6.2
115.67266	0.9
119.08574	3.9
121.10135	2.8
123.04448	15.5
123.08014	1.3
123.11728	1.7
125.13285	2.7
131.08586	2.0
133.10138	1.2
135.08066	4.3
135.11719	1.6
137.06061	1.1
137.09625	6.6
139.03879	15.0
139.07495	1.2
143.08623	1.2
145.10109	4.0
147.04405	2.1
149.09642	12.1
151.03831	1.5
151.07536	6.9
157.10115	1.6
158.68198	0.9
159.11658	2.0
161.09612	1.7
163.07558	3.4
163.11174	15.7
165.09123	81.7
166.09477	4.1
169.10045	1.6
173.09651	4.5
173.13260	1.8
175.11140	5.8
177.09120	7.4
177.12776	1.7
177.40347	1.2
179.10689	1.7
187.11200	3.0
189.09000	1.1
189.12794	1.7
191.10719	7.7
200.71503	1.0
201.09033	4.9
201.12762	3.1
203.10727	2.1
203.14322	1.6
205.08905	1.0
205.12253	9.0
206.91789	1.1
213.09062	1.7
215.10680	1.5
215.14323	1.7
219.13817	3.8
227.10605	2.2
228.07776	1.4
231.10146	1.3
233.15329	1.6
241.08647	2.2
243.10220	7.6
255.10211	5.9
256.07327	3.7
269.08221	1.5
269.11801	1.7
271.09662	18.7
273.11209	3.8
283.09607	8.9
285.11240	3.2
287.08966	1.4
289.10675	31.0
289.21490	1.3
290.11154	2.4
291.12283	2.4
300.98203	1.0
301.10733	4.8
401.33795	1.2
404.26801	1.3
427.35703	4.2
429.37280	100.0
430.37598	14.9
441.15292	1.6
453.15515	2.0
464.28558	1.1
549.39532	5.7
567.40430	14.8
568.40558	3.2
579.40320	1.9
657.58801	1.2
719.45306	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12350	0.7
53.03947	5.5
54.10247	0.8
55.01888	1.5
55.05511	8.4
56.89569	0.7
57.03245	0.6
57.03440	6.5
59.56798	0.7
65.03922	1.1
67.05508	20.7
69.03430	1.8
69.07065	4.7
70.26030	1.7
71.04984	1.5
79.05490	30.4
80.05817	0.8
81.03417	40.5
81.07056	21.0
83.04990	6.4
83.08624	8.4
85.02902	1.2
85.06524	0.9
91.05484	23.4
93.07047	30.2
95.04966	15.3
95.08599	10.6
97.02892	1.3
97.06538	2.2
97.10161	1.4
105.04541	0.9
105.07031	19.1
107.04963	3.9
107.08601	6.6
109.06534	4.4
109.07143	0.8
109.10138	2.5
111.08089	2.5
115.05395	1.4
117.07010	3.5
119.08592	13.1
121.06533	2.1
121.10130	3.4
123.08064	2.5
129.06992	10.0
131.08563	3.8
133.06462	1.1
133.10115	6.5
135.08054	0.8
143.08484	4.0
145.10106	4.5
147.08047	2.2
147.11693	16.6
149.09500	1.3
157.10146	3.4
161.09621	2.6
161.13266	4.6
171.11674	10.3
175.11235	2.7
189.12668	4.7
193.12254	9.2
194.12584	0.9
207.13831	10.4
211.13274	1.4
252.44321	0.8
267.15915	38.4
267.18799	1.9
268.16220	2.6
281.17456	45.0
282.17810	3.2
473.28979	100.0
474.29303	11.3
491.29626	1.9
515.29822	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
54.06522	1.0
55.01866	2.1
55.05514	11.8
57.03441	11.7
57.07078	30.9
61.02918	3.2
65.03931	1.6
67.05176	1.9
67.05503	23.4
69.03422	3.2
69.07072	10.6
69.37641	2.4
69.38060	5.1
69.44934	0.9
71.04973	2.8
71.08627	24.4
79.05487	16.0
81.03419	37.7
81.07059	28.7
83.04979	12.1
83.08618	22.6
85.02900	15.8
85.06537	2.7
85.10181	13.4
86.09702	4.2
89.06021	1.1
91.03947	1.6
91.04960	1.7
91.05486	21.9
93.07052	10.4
95.04966	13.4
95.08601	21.7
97.02897	3.8
97.06554	2.0
97.10187	5.7
99.08081	1.2
105.07027	13.5
107.04945	3.1
107.08594	6.3
109.06506	3.7
109.10149	11.0
111.04430	2.2
111.08086	6.7
111.11755	1.2
113.06046	1.9
117.07030	1.5
119.08583	14.5
121.10138	6.0
123.08086	2.0
123.11679	3.4
125.00026	3.2
125.09591	1.6
128.06175	1.0
129.06985	5.0
131.08583	9.0
133.06458	1.5
133.10114	8.2
135.11693	1.6
137.09572	1.2
145.10138	3.1
147.08078	1.3
147.11693	10.2
149.09615	2.5
157.10139	8.0
159.11745	1.4
159.27705	1.1
161.09615	1.4
165.12769	1.2
175.11148	8.6
183.11671	1.4
184.07350	15.9
193.12245	22.3
203.17928	1.7
211.13274	37.7
212.13736	1.7
237.00888	0.9
239.23668	2.0
252.48055	1.2
257.24805	1.5
267.15933	14.9
285.16959	44.2
286.17377	2.0
313.27344	87.8
314.27640	6.1
505.38803	20.7
506.38617	2.1
516.24091	1.1
523.39935	100.0
524.40271	13.6
623.28156	1.7
686.04846	1.2
703.43640	1.5
720.42761	5.2
721.44543	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.2
55.01871	2.8
55.05513	16.6
57.03440	18.6
57.07078	35.2
59.04991	1.0
61.02930	6.0
61.67197	0.8
65.03934	1.3
67.05504	28.3
69.03436	4.1
69.07069	13.3
71.04999	4.0
71.08238	1.2
71.08633	25.1
73.02921	0.9
73.06574	0.7
76.28680	0.8
79.05491	18.3
81.03419	55.9
81.07058	36.2
82.07389	1.4
83.04980	15.6
83.08621	26.8
85.02908	26.3
85.06548	3.1
85.10186	16.1
86.09704	3.1
87.04486	0.9
89.06040	1.5
91.03959	1.7
91.05484	25.8
92.05825	0.9
93.07044	16.1
95.04969	21.1
95.08607	24.1
96.05342	1.0
96.08949	0.8
97.02855	3.8
97.06538	2.5
97.10177	8.0
98.23367	1.3
99.08122	2.2
99.11738	0.9
105.04541	0.9
105.07037	17.3
107.04955	5.8
107.08588	7.4
109.06503	4.9
109.10154	10.0
111.04451	2.5
111.08081	9.4
111.11781	1.0
113.06047	3.1
117.07025	1.8
119.08582	15.2
119.09337	1.2
121.06519	1.3
121.10134	7.0
123.08074	2.8
123.11702	4.2
125.00014	2.1
125.09626	0.7
127.03877	1.1
129.06998	8.6
129.07729	0.8
131.08569	11.4
131.09502	1.1
133.06506	2.2
133.10127	10.2
137.09677	1.2
137.13283	2.1
141.80571	0.7
142.07794	2.1
145.10133	2.0
147.08061	2.8
147.11694	13.3
148.12086	0.8
149.09624	5.7
151.39102	0.7
155.14558	0.8
157.10107	12.5
165.12811	3.5
175.11194	10.7
184.07349	9.1
185.07668	0.7
193.12239	41.0
194.12674	1.0
211.13298	63.2
212.13593	2.0
239.23782	2.3
249.14905	0.9
257.24792	2.1
267.15878	19.1
285.16968	76.5
286.17395	3.9
304.55740	0.7
313.27362	86.1
314.27808	5.7
323.12744	0.7
338.15024	1.3
370.17947	1.1
401.19525	5.6
465.35706	1.3
505.38864	13.6
506.38812	2.2
523.39948	100.0
524.40265	11.4
549.24982	1.6
720.44745	1.1
721.44128	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05142	1.4
53.03948	3.3
55.01871	2.3
55.05510	11.9
57.03444	9.8
57.07077	19.9
59.00490	1.5
61.02925	1.7
67.05508	18.8
67.81150	1.3
67.88876	1.5
69.03422	1.8
69.07063	6.8
71.05011	3.1
71.08635	18.4
71.30302	2.6
79.05501	12.8
81.03425	34.4
81.07058	21.7
82.03760	1.6
83.04985	10.3
83.08623	16.6
85.02904	11.1
85.06603	1.7
85.10191	10.4
85.61140	1.5
87.55559	1.4
91.05475	17.7
93.07047	9.7
95.04974	12.6
95.08607	19.7
97.02906	4.5
97.06534	2.7
97.10174	6.1
105.07024	12.9
107.04953	2.8
107.08607	8.1
109.06522	3.5
109.10162	8.8
111.04485	1.9
111.08109	4.9
117.07056	1.6
119.08578	9.9
121.10163	4.6
123.11754	4.4
129.07022	4.5
131.08585	5.8
133.06520	1.8
133.10107	7.3
135.08063	2.1
135.11720	2.3
137.09621	1.8
145.10155	2.5
147.08054	1.5
147.11659	10.2
149.09648	4.5
151.11272	2.0
155.08611	2.2
157.10115	6.9
159.11717	2.1
162.05989	1.5
175.11162	8.4
184.07304	3.7
193.12233	19.4
193.13817	2.2
203.18082	2.4
211.13318	34.0
212.13582	2.0
216.36224	1.6
227.12650	2.1
238.14301	1.8
239.23729	1.8
265.40775	1.7
267.15848	12.2
283.15350	1.7
284.15741	3.1
285.16965	32.1
313.27347	53.0
314.27637	6.9
315.27863	3.4
417.16803	2.0
418.17398	3.4
419.18292	3.2
432.19159	3.3
433.20163	2.7
434.20367	1.9
447.21716	2.4
448.22168	6.5
461.19073	1.6
462.20169	1.9
463.20786	1.8
475.21332	7.3
476.21591	15.0
477.22321	3.6
505.38669	6.6
523.39935	100.0
524.40363	11.6
535.23145	3.0
536.23486	9.7
548.22583	2.1
550.25055	2.0
562.25189	2.4
563.25836	3.4
564.27014	1.7
622.27753	16.4
623.28143	77.6
624.28558	10.0
720.33777	2.1
721.45288	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.05513	7.3
58.32787	0.2
68.99800	0.4
69.03429	0.3
83.04983	48.0
84.05302	0.6
85.02925	0.5
111.04444	100.0
112.04778	2.4
113.71412	0.3
121.02881	1.2
122.20966	0.2
127.03897	0.6
129.05484	2.1
133.02820	0.2
137.02354	0.4
146.66885	0.3
147.04390	0.4
153.01947	2.4
153.05467	46.6
154.05830	1.7
157.06525	0.4
161.96036	0.3
165.01797	0.8
171.06534	4.0
172.43340	0.2
183.02884	0.4
213.05475	0.7
213.07626	1.9
215.08237	0.2
223.59624	0.3
230.65613	0.3
231.06544	0.4
233.04964	0.2
241.04886	0.6
258.05231	1.0
273.09683	2.8
287.05496	54.3
288.05795	3.5
371.16669	0.3
569.64160	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35799	0.7
55.05496	1.7
55.22997	0.7
67.05512	6.1
69.07057	2.5
69.14985	6.0
79.05477	1.6
80.41904	0.6
81.03407	0.8
81.07062	3.4
83.08625	0.9
86.09680	0.9
91.05472	2.2
93.07027	2.3
95.04930	1.0
95.08606	9.2
97.06544	4.9
98.22657	1.5
98.23309	1.2
99.08063	1.2
103.05762	0.7
105.07020	1.9
107.08588	0.9
109.10182	1.3
119.08582	1.9
129.07011	0.8
133.10123	1.0
147.11678	1.0
184.07405	2.1
203.17967	0.9
226.40305	0.8
269.15536	0.7
290.35498	0.7
349.99545	0.8
391.19089	2.1
405.16681	1.9
405.21204	1.4
406.17700	1.6
407.22519	4.0
418.17838	1.4
419.18491	2.7
419.23184	1.2
420.19147	2.0
420.23871	0.8
421.19534	1.4
433.19797	5.6
434.20847	5.1
435.21832	5.1
445.20428	1.0
446.20844	1.2
447.21753	2.9
448.22491	0.9
449.19351	1.1
459.21582	2.5
460.22485	1.4
461.23294	2.9
477.22156	1.0
499.24915	0.9
513.33661	0.7
517.25415	0.7
518.25854	0.7
521.25452	12.7
522.25671	1.6
545.25568	1.0
547.27563	1.0
561.28308	2.0
573.28308	1.4
574.29132	2.1
575.30231	3.4
581.27484	2.6
601.31226	0.9
619.29102	1.5
624.28571	2.1
633.31726	0.9
641.70374	0.8
661.33942	14.4
662.33691	2.7
703.42950	1.0
721.35510	100.0
722.35791	15.5
722.47180	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.05511	9.9
56.60027	0.5
57.03427	1.2
57.07064	0.9
67.05504	7.8
68.89995	0.5
69.07068	1.9
71.30673	0.7
72.29663	0.5
79.05489	8.1
81.03425	1.3
81.07057	7.1
83.04987	11.7
83.08611	1.4
85.02971	0.6
86.09708	1.6
86.67908	0.5
91.05485	5.9
93.07050	8.0
95.04974	1.5
95.08601	6.0
97.10190	0.7
105.07033	5.0
107.04945	0.8
107.08600	2.9
109.06548	0.9
109.10162	2.4
110.56890	0.5
117.07039	1.6
119.08604	3.6
121.10167	1.8
123.08082	0.7
123.11652	0.5
125.00050	0.7
127.76132	0.5
129.07030	0.9
131.08612	1.5
133.02644	2.4
133.10159	1.8
135.11725	1.1
137.09654	0.6
139.69023	0.5
143.08522	1.1
145.10168	1.5
147.11655	4.1
149.13293	0.7
159.11752	0.9
161.13275	0.9
163.11270	0.7
171.11711	2.3
184.07323	4.7
189.12674	1.3
193.12270	0.7
207.13826	2.5
211.13341	0.7
219.17451	1.1
231.49510	0.6
261.22263	0.8
267.13562	1.6
267.16052	0.6
281.17496	5.6
285.16879	0.8
286.17374	0.7
313.27493	0.8
314.27689	1.1
335.25769	5.8
365.17245	8.6
423.22852	2.9
428.10562	0.6
438.25558	0.8
441.24225	1.6
501.26202	1.4
523.39899	0.6
524.40521	2.5
541.38837	8.5
542.38843	1.5
550.38940	0.5
585.33905	1.1
621.34351	1.0
641.43774	1.6
659.44409	4.2
660.44775	1.0
677.45544	3.2
685.41949	1.0
703.38080	4.2
704.39124	1.1
721.44318	100.0
722.44666	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70851	1.7
51.02387	1.9
53.03939	5.5
55.01884	2.6
55.05512	23.4
55.32634	1.7
57.03432	12.3
57.07067	7.9
57.24237	1.8
67.05505	64.2
68.05833	2.6
69.07060	15.1
71.04999	2.9
71.08621	4.6
71.30771	3.0
75.38684	2.0
79.05491	69.5
81.03416	12.2
81.07058	59.7
83.04977	8.7
83.08627	10.5
85.02921	3.6
85.06593	2.0
85.10199	2.6
86.09711	4.3
91.05479	51.1
93.07044	65.5
94.07381	2.4
95.04971	13.2
95.08608	42.3
97.02915	2.2
97.06531	4.8
97.10161	3.7
104.87919	1.8
105.07018	37.4
107.04953	3.3
107.08589	22.7
109.06521	5.3
109.10161	12.1
111.08087	3.1
117.07018	7.0
119.08588	23.3
120.08946	2.0
121.10145	15.8
123.08118	3.8
123.11743	4.0
124.99994	4.0
129.06998	9.1
131.08580	7.7
133.10110	13.6
135.11690	6.9
137.09714	2.1
143.08557	7.4
145.10133	9.0
147.11671	24.0
149.13249	3.5
157.10124	2.1
159.11725	3.7
161.09572	1.9
161.13257	8.2
169.10130	2.0
171.11636	14.2
184.07384	10.4
189.12746	7.7
193.12224	3.6
194.12663	2.9
207.13817	19.9
211.13319	8.6
212.13628	5.2
239.89645	1.8
261.22208	6.0
281.17435	35.0
282.17990	2.3
284.08627	1.9
285.16907	7.3
286.17355	6.0
313.27261	6.0
314.27774	7.2
335.25751	63.2
336.26126	5.2
365.17154	3.2
450.11176	2.4
506.38889	4.6
510.94193	2.1
523.40125	3.2
524.40283	14.3
525.31073	3.5
541.38849	100.0
541.47217	4.8
542.39069	14.3
585.32562	3.5
623.28070	3.9
624.28613	13.5
703.43042	3.0
721.44165	61.3
722.44238	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98582	0.4
53.03959	0.5
53.93800	0.3
55.01868	1.9
55.05515	1.5
57.03435	1.3
61.02923	1.3
65.03925	0.6
67.05502	14.0
69.03430	3.5
69.07062	1.0
69.55489	0.7
69.55892	1.3
70.56562	0.3
71.04991	1.5
73.02905	0.5
79.05489	2.5
81.03403	1.7
81.07054	13.2
82.07371	0.4
83.04972	0.5
85.02902	16.7
87.04470	0.4
91.03949	1.1
91.05486	1.0
93.07051	3.5
95.04981	3.3
95.08607	8.7
96.08942	0.3
96.75674	0.3
97.02888	4.9
97.06554	0.8
98.03188	0.3
99.04458	2.9
99.08092	2.3
107.08608	0.6
109.02851	1.7
109.10151	74.3
110.10491	2.1
111.04440	6.3
113.06007	1.0
119.08575	4.4
121.10165	4.7
121.39684	0.4
123.04426	2.1
125.05978	5.4
127.03925	4.9
127.07497	0.4
127.11132	0.6
137.09608	66.3
138.09976	2.4
139.03905	0.4
145.04956	8.1
147.08043	8.6
155.10661	39.8
156.11009	1.2
163.03951	0.7
163.05997	5.2
165.09108	73.9
166.09451	2.7
183.10158	37.1
184.10518	1.3
201.11212	100.0
202.11591	4.2
219.12268	66.7
220.12636	2.4
325.11224	1.9
345.15280	0.5
363.16510	1.1
389.50632	0.4
657.74335	0.4
723.24304	1.0
734.62988	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01879	1.3
55.05520	1.6
57.03442	1.3
61.02930	1.0
66.87354	0.5
67.05502	11.7
69.03432	2.6
69.07069	0.6
69.31937	0.4
69.77623	0.5
71.04999	1.0
71.29054	0.4
79.05492	1.5
81.03404	0.9
81.07050	11.9
85.02903	15.9
86.33073	0.6
91.03970	1.0
91.05466	1.3
93.07028	3.0
95.04983	2.4
95.08604	7.3
95.88268	0.5
97.02897	4.1
97.06535	0.7
99.04440	2.1
99.08091	2.0
107.08608	1.0
109.02856	1.7
109.10151	61.7
110.10481	2.1
111.04425	5.7
113.05994	0.5
119.08559	3.9
121.09422	0.5
121.10163	5.1
123.04438	2.3
125.05988	5.6
127.03919	3.9
127.07530	0.7
130.10699	0.4
137.09610	57.5
138.09962	2.1
139.03922	0.5
145.04953	7.8
147.08026	8.0
155.10664	37.1
156.10974	1.3
158.95769	0.5
163.06015	5.5
165.09111	67.0
166.09381	2.9
167.07100	0.7
183.10161	36.3
184.10480	1.0
201.11211	100.0
202.11533	4.2
219.12268	63.6
220.12628	2.9
274.19562	0.5
292.33780	0.5
325.11246	1.5
722.60114	0.5
723.22888	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.0
55.01871	3.4
55.05510	8.6
57.03442	8.5
65.03943	0.8
67.05505	15.5
69.03439	1.9
69.07070	4.3
69.31170	6.1
71.05002	3.1
76.34361	0.7
79.05490	23.2
80.27260	0.8
81.03417	57.4
81.07054	15.7
82.03793	0.8
83.01392	0.7
83.04977	5.4
83.08617	15.1
85.02914	2.1
85.06557	1.0
89.28432	0.8
91.05485	15.7
93.07041	24.3
95.02225	0.8
95.04966	19.1
95.08607	24.6
96.08949	1.1
97.02891	4.4
97.06547	3.7
97.10187	1.9
98.23355	1.5
99.04477	2.6
103.05470	1.2
105.07023	13.5
107.04967	8.0
107.08590	17.7
109.06531	4.0
109.10148	2.9
111.04458	2.5
111.08066	5.7
115.05444	1.2
117.07006	7.3
119.08587	13.9
120.45193	0.7
121.06479	5.4
121.10131	10.8
123.08094	1.9
125.06002	2.6
125.09686	1.2
129.07014	5.9
130.07768	0.9
131.08566	4.8
133.06488	1.5
133.10097	4.9
135.08051	2.2
135.11691	33.1
136.12015	0.9
137.09615	1.4
139.07536	1.0
142.07771	1.4
143.08586	1.2
145.10123	20.5
147.08057	1.9
147.11696	4.3
149.09627	3.9
157.10129	8.1
163.11177	44.2
164.11549	2.8
173.09636	2.0
175.11230	6.1
181.12248	6.2
191.10760	0.9
193.12231	13.8
194.12633	1.3
196.30415	0.8
211.13264	5.1
223.13264	1.4
227.12767	43.5
228.13147	1.5
241.14305	1.0
249.14684	1.2
265.14447	1.0
267.15903	97.0
268.16245	6.2
283.15396	60.5
284.15686	5.0
285.17010	1.6
315.17978	2.2
383.21997	1.8
401.23380	1.3
457.25873	3.8
475.26889	100.0
476.27280	12.9
493.27939	4.5
507.29199	1.5
517.27667	1.3
525.30853	4.9
594.27094	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.01873	5.5
55.05505	12.4
57.03436	11.8
59.04996	1.4
59.50077	0.9
60.69726	1.0
61.02927	1.4
65.03941	1.1
67.05501	17.8
69.03432	2.9
69.07069	3.2
69.98916	1.6
69.99310	1.6
71.01353	1.1
71.04997	2.6
77.08335	0.8
79.05487	18.5
81.03417	45.9
81.07056	18.8
83.01343	4.0
83.04984	7.0
83.08620	16.0
85.02906	3.3
91.05475	19.6
91.06013	1.4
93.07040	16.9
95.01351	0.9
95.04972	18.3
95.08611	7.4
97.02888	3.5
97.06539	3.5
97.10183	7.2
99.04459	1.9
105.07022	13.6
105.36758	0.7
107.04944	10.0
107.08586	11.5
109.06498	5.5
109.10182	4.0
111.04415	3.8
111.08062	6.0
115.05502	1.3
115.59348	0.8
117.07011	7.0
119.04908	1.1
119.08579	10.6
121.06479	4.6
121.10149	7.2
123.04408	1.6
123.08069	5.2
125.02283	1.1
125.09592	4.3
129.07007	7.8
131.04918	1.0
131.08571	6.6
133.06516	2.7
133.10136	4.5
135.08047	2.2
135.11716	5.3
137.05994	1.0
137.09624	1.5
143.08577	1.9
145.06516	2.6
145.10104	7.8
147.04395	1.6
147.08034	4.0
147.11700	4.0
149.09624	3.3
153.12770	1.0
155.08554	1.3
157.06551	1.3
157.10147	4.6
159.08163	1.1
159.11731	1.3
161.05907	1.8
163.11180	12.8
165.12762	1.3
171.08092	1.4
171.11691	0.9
173.05981	1.1
173.09622	3.4
175.11136	3.9
181.12250	1.9
189.09070	1.3
189.11224	1.6
191.10684	1.9
193.12257	9.5
205.12201	1.5
209.11697	4.4
211.11281	1.3
211.13332	3.0
227.12732	4.1
231.13815	1.4
235.11002	0.9
243.13693	1.1
249.14937	1.0
263.74338	0.8
265.14398	1.4
267.15906	28.2
268.16327	1.8
269.15399	1.1
271.13266	1.4
273.14816	2.4
283.12262	1.1
283.15378	22.9
284.15717	1.7
289.14395	2.9
290.14603	1.0
337.21915	1.1
347.20016	1.0
355.22717	1.3
365.21155	3.8
383.22144	18.1
384.22482	1.4
401.23087	7.3
403.22714	1.0
419.24078	2.4
431.24304	2.0
439.24539	1.8
457.25809	29.7
458.26208	3.5
475.26895	100.0
476.27228	12.2
489.28333	1.0
493.27905	12.6
494.28235	1.4
517.27692	1.0
525.14838	0.8
631.92572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.2
55.05487	0.3
56.05042	0.7
57.07076	0.2
58.06584	1.3
59.07382	1.2
60.08163	5.7
64.53172	0.1
67.05484	0.4
69.07073	0.1
69.26315	0.7
69.26728	0.3
69.43474	0.2
71.07371	2.7
79.05491	0.4
81.07047	0.5
86.09702	25.9
87.10035	0.5
91.05489	0.4
93.07043	0.5
93.47932	0.1
95.04974	0.2
95.08603	0.4
95.81953	0.1
98.98457	2.2
104.10745	2.2
105.03408	0.4
105.07025	0.4
107.08587	0.2
109.10156	0.2
117.07001	0.1
119.08567	0.2
121.10163	0.3
125.00002	16.1
130.31821	0.1
131.08598	0.2
133.10121	0.2
139.07532	0.1
145.10178	0.2
147.11694	0.2
148.24557	0.1
184.07336	100.0
185.07701	2.1
201.16254	0.2
222.08905	1.5
224.10429	0.3
238.08475	0.2
240.09756	0.1
282.11182	0.1
282.17758	0.2
335.25830	0.2
341.12543	0.3
354.13306	0.3
373.11200	0.3
386.28079	0.1
402.90561	0.2
478.33182	0.2
550.35138	0.3
590.66663	0.2
608.09717	0.1
625.44916	0.2
650.51489	0.2
704.43298	0.2
722.45782	5.1
723.45258	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75514	1.1
55.05509	10.5
57.03439	8.2
57.06794	2.0
57.07077	34.9
59.04980	3.2
60.08170	1.5
61.02918	3.5
67.05505	79.4
69.03436	2.6
69.07067	10.3
69.19225	8.8
71.04990	21.0
71.08237	1.6
71.08635	30.7
79.05496	9.7
81.03427	1.4
81.07055	30.1
83.04986	4.2
83.08623	13.8
85.02906	4.2
85.06544	2.5
85.10187	18.9
86.09700	4.7
89.06022	1.6
91.03950	1.7
91.05479	13.3
93.07034	13.9
95.04964	1.6
95.08604	34.2
97.02910	1.9
97.06521	3.7
97.10178	6.2
99.08027	1.4
99.11728	2.0
105.07045	4.4
107.05018	1.4
107.08585	7.0
109.10155	72.9
110.10497	3.1
111.08082	2.5
111.11743	1.4
117.07029	1.6
118.78503	1.3
119.08580	12.8
121.10137	4.8
123.08034	1.1
123.11717	5.7
125.00020	4.2
131.08559	2.1
133.10156	2.8
135.11679	8.4
137.09601	10.6
137.13266	1.6
143.08569	1.1
145.10112	4.1
147.11664	1.6
155.10649	4.4
163.11203	3.2
169.12404	1.2
171.11659	1.1
173.11768	8.9
181.12212	1.7
184.07326	22.0
187.13280	2.0
203.17943	1.9
226.06293	1.5
239.23637	2.5
243.16019	1.2
247.31036	1.5
255.15900	5.1
287.18527	26.1
313.27353	22.1
438.27380	1.4
466.34323	1.3
467.37314	100.0
468.37662	10.9
481.38715	4.5
493.38754	4.9
506.77371	1.2
525.41504	89.6
526.41895	10.5
555.27698	1.8
722.43787	5.6
723.45020	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.0
53.03939	1.6
55.01873	1.6
65.03938	5.9
66.72533	0.6
67.01872	0.9
67.05508	1.6
68.99783	6.2
77.03933	1.3
79.05489	1.6
81.03429	3.5
85.02879	0.9
85.63792	0.6
89.03927	1.9
91.05484	1.0
93.03407	5.6
95.04969	2.5
96.33936	0.6
98.23415	1.4
99.04468	1.7
103.05473	1.0
105.03410	1.3
105.04498	0.6
107.04954	6.0
109.02872	3.2
111.00801	3.9
111.04440	19.2
113.51820	0.6
115.05415	0.8
117.03368	1.8
119.04926	1.3
121.02869	1.6
123.04428	100.0
124.04774	2.1
127.03912	80.8
128.04271	2.5
128.78871	0.6
130.16962	0.7
131.04890	3.6
135.04411	90.3
136.04755	1.9
137.02336	3.9
139.03897	90.4
140.04228	2.4
141.01872	0.7
141.06987	0.9
143.04828	0.6
145.06451	1.3
147.04411	6.7
149.02322	7.5
149.05972	2.4
150.03055	0.6
151.03900	33.0
152.04214	0.9
153.06975	0.7
155.04903	1.2
157.06505	1.4
158.41644	0.6
159.04370	3.3
161.05998	2.3
161.28568	0.6
163.03896	46.6
164.04259	1.2
165.05516	1.6
167.03423	6.4
167.04753	1.1
169.06453	1.2
173.05963	4.4
175.03918	4.4
175.07616	1.0
177.05487	4.3
179.03377	7.7
181.04990	1.1
181.06450	1.3
183.04405	1.4
185.05954	2.4
185.40860	0.6
187.03842	5.2
187.07539	1.2
189.05452	4.0
191.03397	8.7
193.04964	3.0
196.33844	0.6
197.05936	3.7
201.05444	8.6
202.05789	0.7
203.03397	9.0
203.07016	2.7
205.04945	2.2
213.05389	2.3
215.03413	2.5
215.06934	2.1
217.04942	2.2
219.06540	1.0
225.05481	2.4
227.03355	1.0
227.07040	0.6
228.77724	0.7
229.04968	8.7
231.06416	4.8
233.04430	3.4
237.05334	1.2
241.04987	2.5
243.06563	4.7
245.04443	7.4
247.05998	17.7
248.06403	1.0
253.04843	2.0
255.06467	1.7
257.04434	9.6
258.04858	1.1
259.06021	9.5
261.07584	11.0
265.04895	0.7
269.04471	3.2
271.06000	28.8
272.06332	2.1
273.07568	15.1
274.07870	1.2
275.05469	3.5
283.05988	7.9
284.06201	0.7
285.07578	1.3
287.05511	13.7
288.05750	1.7
289.07053	35.6
290.07263	2.0
299.05490	3.9
301.07080	6.2
307.06049	0.9
379.07999	2.2
391.08051	2.5
393.09595	1.4
409.09155	13.2
410.09198	1.2
421.09183	2.4
427.10071	2.3
433.08771	0.8
435.10675	2.0
543.12347	0.9
553.12921	1.7
571.13464	0.7
597.98529	0.6
713.48370	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01857	0.6
55.05500	0.9
56.55124	0.3
57.03439	1.6
57.07080	2.9
59.09715	0.3
60.08154	0.6
61.02928	4.1
67.05508	3.1
69.03439	2.0
69.07072	1.5
69.76321	0.3
71.04994	0.7
71.08634	2.0
73.02923	3.1
73.95744	0.3
79.05491	1.6
81.03425	1.8
81.07050	2.2
83.08634	1.4
85.02901	3.4
85.10181	1.3
86.09718	2.8
91.03935	2.0
91.05482	1.3
93.07043	2.2
95.08598	3.5
97.02887	3.8
97.06530	0.4
97.10177	0.6
98.98498	0.5
99.04430	0.7
101.02371	0.9
105.07034	0.9
107.04980	0.4
107.08591	2.0
109.02908	0.8
109.10169	1.2
117.07008	0.5
119.08615	0.8
121.10153	0.7
123.11684	0.5
125.00011	1.4
127.03943	0.9
133.10120	1.8
135.11690	2.2
138.73303	0.4
145.10158	1.4
160.11253	1.4
163.11160	3.6
181.12283	0.9
184.07349	6.6
185.04230	0.5
185.07800	0.6
197.73961	0.4
219.09874	0.5
227.12796	2.6
243.08493	1.7
249.10977	7.2
251.36240	0.3
258.08978	1.8
305.13556	1.6
310.49170	0.4
313.27405	0.8
457.26950	0.6
465.35489	0.6
467.18900	10.7
468.19382	0.9
497.30850	5.6
498.30652	0.9
501.26083	1.4
519.27222	4.4
520.27856	0.7
661.45917	0.4
679.46960	0.9
705.45117	0.9
723.43329	100.0
724.43683	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.5
55.01874	22.4
55.05512	32.6
57.03437	23.5
57.07077	5.1
59.05001	2.3
61.02936	6.5
62.12368	0.9
65.03941	3.2
67.05505	45.0
68.05853	1.1
69.03439	7.2
69.07072	10.4
69.32173	7.5
71.01354	1.9
71.04993	3.3
73.02914	8.3
73.06549	1.2
74.23312	1.0
76.68190	0.8
79.05493	42.9
81.03418	37.8
81.07056	33.0
81.07435	0.8
81.17498	1.0
82.04191	8.7
83.04986	19.1
83.08615	20.1
84.02119	2.1
84.05296	1.1
84.05766	2.0
85.02909	9.4
85.06549	2.7
86.09713	2.2
91.03978	2.0
91.05484	32.1
92.05779	1.6
93.07046	25.3
94.04171	1.2
94.07838	1.0
95.04973	26.1
95.08607	14.9
96.05286	1.1
97.02884	7.5
97.06532	11.5
97.10169	21.2
98.07333	9.6
99.04471	1.4
99.08121	2.6
103.05463	1.2
105.07039	17.7
106.07316	1.3
107.04948	11.4
107.08589	19.2
109.02916	1.1
109.06511	5.5
109.10148	15.6
111.04447	3.4
111.08085	7.2
112.49004	1.0
113.05986	1.2
115.05450	1.5
116.04704	19.0
117.05479	1.5
117.07012	7.2
119.04929	1.2
119.08588	15.8
121.06509	5.0
121.10148	9.7
123.04440	1.4
123.08070	9.3
125.00044	1.2
125.06036	1.4
125.09630	26.4
129.05482	44.3
129.06927	6.9
130.07823	1.3
131.08589	9.3
133.06493	2.5
133.10138	12.5
135.08083	6.4
135.11687	7.8
136.08804	1.5
137.09619	4.2
142.07806	1.9
143.07037	10.5
143.08142	1.1
143.08531	1.1
143.10635	2.5
145.06464	1.2
145.10101	8.1
147.08067	3.0
147.11681	8.9
149.09637	5.6
151.11150	1.9
153.09134	2.1
153.12782	3.3
155.08517	2.0
157.08618	21.4
157.10123	7.3
158.05742	2.1
163.11172	13.0
164.11824	1.2
165.12766	3.0
171.06560	1.6
171.10181	6.8
173.09596	2.8
173.11731	5.0
175.11209	7.8
179.10738	0.9
181.12233	2.5
183.06567	1.0
184.07350	4.7
185.08072	1.2
185.11763	2.9
189.11223	12.2
191.10666	4.5
193.12268	10.4
194.12569	1.6
197.08026	1.1
199.13280	10.6
200.14046	3.6
201.14870	1.5
209.11742	7.5
210.12425	3.3
210.51888	1.0
211.09740	1.2
211.13290	4.1
212.97285	1.2
213.11270	1.1
217.14322	1.5
220.21722	1.1
223.13293	1.5
227.12764	17.7
228.13229	1.6
229.14412	5.3
255.15987	3.1
267.15887	22.8
268.16391	3.4
283.15414	11.2
284.16003	2.2
285.16980	4.4
301.16452	100.0
302.16632	5.6
324.58517	1.1
355.17487	1.7
367.22690	2.1
385.23624	4.3
397.22040	1.3
403.24628	1.6
438.26328	1.1
443.26361	1.9
451.26785	1.1
455.26404	4.8
459.27390	21.7
460.27759	2.9
475.26859	2.1
476.27448	1.2
477.28412	21.0
478.28751	2.0
493.27951	5.7
494.28027	1.6
509.27063	4.9
510.28134	3.0
527.28473	49.9
528.28943	5.9
725.31769	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51889	0.9
53.03939	3.6
55.01867	4.1
55.05515	14.2
56.29407	0.9
57.03437	13.4
60.01375	1.0
61.02912	0.9
65.03943	1.6
67.05507	17.1
69.03429	3.7
69.07066	5.1
69.27145	4.1
69.27577	3.5
71.04985	2.5
79.05492	22.6
81.03416	97.4
81.07053	18.6
82.03766	2.0
82.07378	1.0
83.04984	8.8
83.08617	20.8
84.21582	1.0
85.02895	12.5
85.06568	1.3
91.05479	29.0
92.05791	1.2
93.07042	13.4
95.04963	29.7
95.05555	1.7
95.08598	8.6
96.05323	1.3
97.02895	2.2
97.06549	4.1
97.10164	4.9
99.08096	1.6
103.05459	1.1
105.07028	19.5
106.07402	1.2
107.04955	11.8
107.08567	8.1
109.06526	4.9
109.10173	4.3
111.04448	1.8
111.08074	8.7
113.06042	1.5
115.05457	1.9
117.07034	3.1
119.08574	15.5
121.06490	4.8
121.10130	7.2
123.08085	2.3
123.11720	1.7
125.05904	1.0
125.09647	4.0
128.06197	1.3
129.07010	10.5
131.04936	1.2
131.08557	10.7
133.06479	3.8
133.10146	7.4
135.08121	1.0
137.09544	2.1
142.07768	2.7
143.08534	1.1
145.06499	4.1
145.10133	1.8
147.08043	4.0
147.11684	10.5
149.09671	5.7
150.89607	1.0
155.08507	1.1
157.10136	14.8
159.08086	1.1
159.11679	1.1
163.11174	1.5
165.12747	3.0
166.03398	1.0
171.11726	1.4
175.11191	11.7
189.11212	1.5
193.12236	32.3
194.12631	2.0
195.11748	1.1
211.13263	16.2
227.12706	1.5
233.15332	2.2
234.13989	0.9
249.14827	2.4
255.13869	2.2
267.15894	100.0
268.16235	7.1
273.14737	5.2
285.16953	19.4
326.15555	1.0
341.21057	1.4
349.21603	3.6
367.22632	11.4
368.22934	1.6
385.23755	11.1
385.28485	1.3
386.23956	1.3
403.24707	3.5
405.23868	1.3
433.25885	14.9
434.26117	1.7
441.26569	7.4
459.27377	63.7
460.27902	9.7
477.28482	37.8
477.34503	0.8
478.28778	7.6
518.51831	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75472	1.3
51.43526	1.3
53.03949	8.0
53.04189	1.2
55.01865	3.2
55.05515	23.8
57.03437	23.7
57.07063	3.9
58.28569	1.3
61.02924	7.8
65.03934	5.2
67.05505	72.8
68.05833	1.5
69.03430	5.0
69.07070	17.6
69.38732	2.6
69.39130	7.4
69.72398	1.4
71.04986	3.3
71.08626	1.9
72.21294	1.4
73.02879	1.8
78.01406	1.5
79.05498	52.5
79.05959	3.0
81.03420	100.0
81.07058	71.8
82.07386	1.8
83.04989	8.9
83.08622	24.2
85.02900	6.8
85.06534	3.3
91.03959	2.0
91.05481	42.7
92.05798	2.4
93.07045	55.2
94.07398	1.5
95.04974	29.8
95.08607	47.8
97.02888	5.9
97.06505	5.3
97.10162	6.2
105.04501	2.2
105.07033	28.5
107.04960	8.4
107.07873	2.3
107.08596	29.6
109.06496	7.4
109.10162	22.8
111.04429	3.2
111.08097	7.7
112.51207	1.4
117.07050	10.4
119.04872	2.5
119.08587	28.4
121.06486	5.2
121.10136	25.2
121.49970	1.4
123.04383	2.3
123.08080	2.3
123.11694	10.1
125.09614	4.4
127.03886	1.5
129.07027	10.4
131.08578	22.0
133.06487	1.7
133.10153	15.5
135.08072	2.7
135.11685	16.1
137.02261	1.5
137.09616	2.7
137.13271	3.2
139.11165	2.0
142.07793	3.0
143.08611	2.9
145.10118	11.4
147.08070	3.6
147.11702	17.8
149.09604	6.1
149.13263	9.3
155.08598	1.4
157.10107	12.9
159.11694	8.7
160.11151	3.5
160.77608	1.4
161.13274	5.9
163.11186	3.5
163.14799	3.6
165.12781	2.8
169.10057	1.7
171.11694	2.2
173.13228	7.4
175.11186	11.4
175.14830	3.2
181.10254	1.4
184.07289	1.5
185.13202	1.8
187.14751	3.3
189.11235	3.4
193.12227	21.5
201.16408	2.1
203.17947	1.8
207.11697	1.4
209.13239	1.8
211.13243	2.1
227.12849	4.9
235.13174	2.3
243.21068	5.1
249.14699	3.0
258.08780	2.2
258.66061	1.5
261.22125	18.1
267.15915	91.5
268.16113	3.0
273.14871	2.1
279.23163	2.5
301.14435	1.9
301.25204	4.6
309.16669	2.0
317.24741	2.6
335.25803	82.5
336.26135	6.0
337.27231	1.7
363.02347	1.6
386.33960	1.8
435.27103	1.9
435.32394	4.7
453.33771	3.1
471.34576	2.8
527.37274	35.5
528.37567	5.5
545.38281	18.9
546.38446	3.1
569.38007	3.4
601.15033	1.8
724.45648	5.9
725.44617	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
56.05033	0.7
57.07074	0.1
58.06632	0.3
60.08163	5.9
62.52341	0.1
67.05515	0.6
69.07057	0.3
69.16340	0.7
70.06595	0.1
70.69577	0.1
71.07372	3.7
71.08627	0.2
79.05494	0.5
80.97401	0.1
81.03412	0.3
81.07063	0.7
83.04961	0.2
83.08617	0.2
86.09704	30.4
87.10025	1.0
91.05477	0.4
93.07038	0.5
95.04958	0.2
95.08597	0.5
97.06545	0.1
98.98460	3.7
101.79087	0.1
104.10740	2.1
105.03420	0.7
105.06982	0.3
107.04903	0.1
107.08585	0.5
109.10143	0.2
115.53410	0.1
119.08584	0.4
125.00000	20.8
126.00356	0.2
131.08551	0.2
133.10129	0.1
143.01039	0.3
147.11703	0.2
159.11711	0.2
166.02643	0.1
184.07338	100.0
185.07693	2.5
186.07814	0.4
189.37267	0.1
201.58542	0.1
210.11972	0.1
308.64011	0.1
496.33902	0.1
527.36963	0.2
541.79688	0.1
625.53552	0.1
688.45453	5.2
689.45618	0.9
724.35425	0.2
724.47266	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.05512	7.7
61.02925	0.7
65.03919	0.4
68.99803	0.5
69.03426	1.9
71.04983	1.7
71.31454	0.7
73.02929	0.4
77.92305	0.4
83.04979	73.2
84.05295	0.9
85.02905	3.1
87.04462	0.9
97.02872	0.5
100.99567	0.4
101.06005	0.5
109.02879	0.5
109.48886	0.4
111.00804	0.9
111.04440	59.4
112.04765	1.2
113.05979	0.5
123.04414	0.9
127.03910	0.8
129.05478	6.0
135.04379	0.5
137.02348	1.0
137.05998	0.6
138.03004	0.4
139.03876	2.2
141.16379	0.4
147.04434	0.6
153.01833	5.4
153.05467	5.6
163.03883	0.6
165.01781	2.3
167.03426	1.5
171.06512	14.0
172.06932	0.6
179.03404	1.0
189.05495	0.5
193.04953	0.7
201.80661	0.4
217.04958	2.3
219.02864	2.6
231.08635	6.0
233.04472	1.2
234.05338	0.7
244.03758	1.5
245.04411	3.6
259.05975	0.9
261.03787	0.8
273.03897	2.7
273.07614	0.5
277.06824	0.8
287.05396	1.1
289.03534	2.4
290.04117	1.4
301.03387	5.2
301.06607	0.7
318.00201	0.7
318.03702	8.1
333.06027	100.0
334.06409	5.7
408.63177	0.4
437.19501	0.6
475.31052	0.4
510.22614	0.5
528.22797	0.7
613.56293	0.4
725.27332	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01885	0.4
55.05516	1.1
57.03450	1.6
59.05002	0.7
61.02927	3.8
63.23931	0.3
67.05505	3.6
69.03438	2.7
69.07086	1.0
71.04985	1.6
73.02914	3.1
79.05496	5.3
81.03420	4.0
81.07066	3.3
83.04984	0.9
83.08630	1.2
85.02911	3.6
87.04487	0.7
91.03967	1.6
91.05486	4.8
93.07048	4.8
93.07552	0.4
95.04975	1.8
95.08617	2.2
97.02911	3.2
97.06539	0.6
98.22567	0.8
99.04499	0.6
101.02406	1.5
105.07043	3.1
107.08590	2.4
109.02894	1.0
109.06544	0.7
109.10167	0.7
111.08089	0.9
115.03954	0.3
117.07057	0.5
119.08587	1.6
121.10187	1.6
122.34438	0.3
127.03943	1.2
129.06982	1.7
131.08615	1.5
133.10121	1.8
145.05130	0.3
145.10124	0.7
147.08134	0.4
147.11676	2.1
149.09659	1.2
157.10184	1.0
161.13194	0.4
171.11775	1.0
175.11252	0.7
193.12347	1.1
225.14813	0.6
243.08415	2.3
247.13142	0.9
267.15964	0.9
281.17426	0.4
283.15176	3.4
303.15558	0.5
339.17838	0.8
465.20987	9.3
466.21640	0.8
469.20663	0.5
501.23132	7.3
502.23785	1.1
563.31580	0.5
725.37158	100.0
726.37469	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01871	0.4
55.05511	1.5
55.93075	0.2
57.03439	2.1
57.07079	2.7
60.08167	0.3
61.02926	4.9
65.03932	0.4
67.03647	0.2
67.05505	6.2
69.03431	3.1
69.07065	2.3
69.19085	0.5
69.19490	1.1
71.01362	0.4
71.04993	0.8
71.08627	2.0
73.02917	3.8
79.05490	3.1
81.03419	3.3
81.07055	5.6
83.04978	0.8
83.08614	2.2
85.02909	5.9
85.03423	0.3
85.06554	0.3
85.10194	1.0
86.09717	1.4
87.04489	0.3
91.03962	3.0
91.05476	2.9
93.07051	3.7
95.04388	0.3
95.04960	1.4
95.08612	3.9
97.02888	4.5
97.06530	0.7
97.10169	0.8
98.23311	0.5
99.04478	1.0
99.08105	0.3
100.23656	0.2
101.02404	1.5
105.03403	0.8
105.07024	1.9
107.08608	2.2
109.02905	0.7
109.10147	1.4
111.08057	0.4
115.03973	0.4
117.07031	0.7
119.08569	1.4
121.10123	1.8
123.11714	0.5
125.00034	1.0
125.09746	0.2
127.03897	1.5
129.07048	0.5
131.08604	1.1
133.10170	1.0
135.11705	0.7
145.05019	0.2
145.10110	0.5
147.08153	0.3
147.11705	1.1
149.09628	0.4
149.13303	1.0
151.11159	0.3
157.10164	0.5
159.11745	0.5
161.13219	0.3
165.12825	0.4
173.13307	0.3
175.11217	0.7
177.12836	0.4
184.07333	4.4
185.04257	0.5
193.12227	1.4
195.13713	0.4
203.05336	0.4
211.13393	0.4
243.08385	2.0
251.12608	0.8
261.22195	0.5
269.17511	2.6
277.21652	0.4
307.15201	0.4
313.27487	0.7
335.25797	2.8
427.35083	0.3
441.18777	1.1
469.20462	7.7
470.20950	0.6
497.30832	4.1
498.31369	0.5
529.38928	5.6
627.46301	0.6
628.45978	0.3
647.15222	0.3
725.44403	100.0
726.44763	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.2
53.03944	0.3
55.01870	0.3
55.05507	0.3
55.09453	0.2
63.02386	0.5
63.68134	0.2
65.03929	0.6
67.05505	1.1
69.03435	0.8
71.30054	0.2
73.04739	0.2
77.03947	0.2
79.05502	0.6
83.04984	2.5
85.02894	0.9
89.03919	6.1
93.03418	1.2
95.04968	2.3
99.00811	1.8
107.04954	1.9
111.04454	3.9
117.01966	0.4
117.03388	6.9
118.03764	0.2
119.04924	0.2
121.02872	0.8
123.04443	0.6
127.98879	0.2
129.05484	1.8
135.04425	16.2
136.04755	0.5
137.02328	0.5
139.03906	2.4
145.02859	12.0
146.03230	0.4
147.04420	0.4
147.06522	0.3
157.04959	1.8
163.03911	100.0
164.04251	3.6
175.03934	0.2
175.06049	1.3
177.07083	0.2
181.04941	0.5
181.06393	0.4
193.07080	0.4
195.08101	0.2
203.03413	0.3
205.06529	0.8
223.07552	0.7
231.06560	0.2
233.05984	0.8
245.08202	0.3
249.35733	0.2
251.07033	2.0
261.05597	0.3
269.08130	1.3
273.06076	4.1
274.06314	0.2
279.06534	3.3
280.07013	0.3
283.06082	0.5
297.07602	2.5
307.06119	0.9
308.51425	0.2
319.08139	0.9
325.07098	2.7
337.09164	2.3
343.08136	0.7
355.10229	1.4
447.11359	1.6
499.12366	5.2
500.12613	0.7
517.13379	0.7
565.16809	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	1.2
53.03942	1.4
55.01873	3.1
55.05510	4.2
58.64886	0.6
65.03942	7.5
67.05502	17.8
68.99796	1.2
69.03431	11.9
69.42255	1.5
69.42668	3.0
71.01345	1.5
76.17680	0.7
83.04981	34.1
85.02908	8.1
87.00820	2.3
89.88507	0.6
93.03404	12.4
94.03759	0.7
95.04355	1.5
95.04968	30.8
97.02899	1.4
98.22662	0.8
99.00822	22.2
100.01183	0.6
101.06033	1.8
105.04542	0.9
107.04965	3.4
111.04440	54.2
112.04801	1.1
115.03933	1.0
117.01835	4.9
121.02852	6.4
123.04421	8.0
129.05476	20.7
134.04672	0.7
135.04416	5.6
137.02295	1.4
139.03903	22.5
145.02858	0.6
147.04344	0.8
147.06505	2.1
152.06250	0.8
153.06998	1.3
157.04961	19.2
157.06206	1.2
163.03928	9.9
175.03815	1.0
175.06033	6.6
176.06271	0.6
177.07103	0.9
181.06537	2.8
189.05472	0.7
195.08130	1.3
199.07530	1.2
203.03406	2.0
205.06461	7.4
206.06964	0.7
207.08090	0.7
209.04422	1.5
217.07246	0.8
223.07552	6.2
227.05396	4.0
233.05997	6.8
244.07294	0.7
245.06287	1.3
245.08350	1.1
250.06175	0.8
251.07028	16.1
252.07542	1.0
255.06508	0.9
261.05533	3.2
269.08121	9.3
273.06061	19.4
274.06537	0.7
279.06512	26.0
280.06894	2.9
283.06073	1.8
287.05438	1.7
289.05093	1.5
297.07568	14.8
298.07932	1.0
307.05960	7.3
325.07034	12.7
326.07419	1.1
343.08163	2.7
366.06424	0.7
383.58594	0.6
401.10742	2.8
429.10419	7.0
447.11337	100.0
448.11682	7.7
499.12418	10.4
500.12585	1.2
517.13464	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90649	0.3
53.03957	0.3
53.10977	0.3
55.01870	0.8
55.05506	1.2
63.02370	0.5
65.03938	2.9
67.05511	3.1
68.99796	0.7
69.03431	2.5
71.11505	0.5
79.05492	0.5
81.74311	0.3
83.04984	15.0
85.02911	4.8
87.04461	0.7
89.03917	5.7
93.03407	9.0
95.04964	1.7
99.00819	1.4
103.77048	0.3
107.04951	2.3
111.04444	23.2
112.04773	0.6
112.59170	0.3
113.02354	0.3
115.03949	0.6
117.01817	0.5
117.02591	0.6
117.03383	7.5
121.02870	5.5
123.04417	2.0
129.05479	10.6
129.38686	0.3
135.04419	15.5
136.04741	0.4
137.02336	0.9
139.03900	15.4
145.01720	0.6
145.02858	10.8
157.04962	14.7
158.21071	0.3
163.03905	100.0
164.04231	4.1
169.43977	0.3
175.06030	15.1
176.06401	0.5
177.06967	0.5
181.04988	0.6
181.06471	1.3
187.03816	0.4
193.07057	0.6
195.08191	0.4
199.07524	0.7
203.03432	1.0
205.06502	3.4
209.05962	0.5
217.06956	0.4
223.07571	3.1
227.06978	0.4
233.06001	3.8
234.06413	0.4
245.08035	1.4
251.07033	9.4
252.07468	0.9
261.05307	1.4
269.08078	6.6
270.08423	0.6
273.06039	7.8
274.06195	0.4
279.06525	13.1
280.06897	1.1
283.06024	1.2
289.04892	0.5
295.06110	0.6
296.06281	0.5
297.07578	12.1
298.07892	1.1
307.05994	3.7
308.06418	0.5
319.08182	0.6
325.07056	11.3
326.07507	0.9
337.09271	1.4
343.07971	2.9
344.08337	0.3
355.10339	2.7
447.11368	3.7
448.11127	0.4
499.12387	13.7
500.12827	1.8
517.13593	2.6
518.13367	0.4
572.30615	0.3
577.51440	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.0
54.27926	0.6
55.01865	2.4
55.05510	5.8
55.20592	0.5
55.53035	0.6
57.03460	0.7
65.03944	11.8
67.05506	16.2
68.99791	2.1
69.03434	13.3
70.64848	1.3
71.01350	0.8
81.03434	0.6
83.04984	61.2
84.05285	0.9
85.02911	22.4
87.00845	0.7
87.04477	1.7
93.03408	40.6
94.03760	1.3
95.04975	5.5
99.00817	8.7
99.01437	0.7
107.04948	2.8
109.02908	0.8
111.04447	100.0
112.04780	2.4
113.02338	0.7
115.03969	2.1
117.01856	5.2
121.02872	21.5
123.04440	9.0
129.05484	49.0
130.05791	1.4
135.04424	7.7
136.05212	1.2
137.02344	1.1
139.03906	66.1
140.04211	1.7
147.04442	2.2
147.06577	1.1
153.07072	1.3
157.04968	61.6
158.05280	1.0
159.04413	0.9
163.03906	8.3
165.14307	0.6
166.14633	0.8
175.06027	72.5
176.06419	1.8
177.05473	1.3
177.06998	1.1
178.05742	0.7
181.06471	4.9
187.03972	1.2
189.05482	0.6
193.07147	1.0
195.08084	2.8
199.07614	2.9
203.03401	3.9
205.06483	7.8
209.05974	1.7
215.03481	1.2
217.07126	0.7
223.07567	10.0
227.07091	2.5
233.05977	9.9
234.60872	0.5
235.07753	0.7
237.05605	1.1
245.08116	7.4
251.07039	25.9
252.07498	2.0
253.08687	0.6
255.06540	1.7
261.05472	5.6
262.06213	0.6
263.06918	1.0
269.08102	17.5
270.08640	1.1
273.06049	43.1
274.06503	2.6
277.18570	0.7
279.06528	41.4
280.06903	2.6
281.07770	1.2
283.06064	2.6
289.04938	1.4
297.07578	38.2
298.07922	1.0
307.05984	13.3
308.06573	1.7
325.07077	33.4
326.07510	1.4
337.09354	1.0
343.08090	8.9
447.11313	4.0
453.11960	1.0
499.12369	34.2
500.12750	3.7
517.13489	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69765	2.5
55.05508	4.4
57.07065	4.1
61.74939	2.5
64.06580	2.6
67.05503	14.2
69.17100	4.7
69.17511	14.5
71.08620	3.8
74.26052	2.2
79.05480	8.9
81.03437	2.6
81.07051	21.8
83.08620	2.7
85.06572	2.6
89.84240	2.2
91.05468	11.2
93.07021	13.5
95.08588	16.8
105.03391	22.3
105.07023	18.3
107.08601	21.7
109.10163	12.1
117.07009	8.9
119.08589	22.0
121.10143	7.6
123.11724	6.6
129.06989	3.3
131.08566	16.3
133.10147	7.5
135.11638	3.2
143.08565	3.5
145.10123	71.7
147.11682	8.5
157.10229	3.0
159.11716	38.9
172.12544	3.0
173.13254	6.4
184.07385	9.6
187.14850	4.7
201.16377	100.0
202.17081	15.7
203.17970	10.4
225.09038	5.3
236.08217	3.0
237.09019	3.7
238.06358	3.4
239.10728	4.2
253.08612	8.6
255.10187	3.9
265.08740	3.2
267.10114	7.2
268.07236	3.6
281.08044	14.8
282.08713	3.9
283.09705	10.1
285.07544	4.6
295.09683	5.2
300.06125	2.9
301.07071	4.4
311.09134	27.5
313.10687	7.7
314.07895	6.2
315.08676	5.5
315.12271	13.5
325.10733	12.6
328.09241	3.9
335.25745	2.9
339.11966	2.7
343.11758	38.9
369.13367	5.7
385.12714	7.9
387.14481	17.3
467.37241	8.8
523.18854	3.7
587.29950	61.2
588.30359	9.8
643.84076	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.05497	8.0
57.03404	2.5
57.07065	2.1
67.05511	16.0
69.07057	9.1
69.19994	7.2
69.20414	9.2
71.08658	2.2
76.25681	2.3
79.05488	8.4
81.03412	7.2
81.07063	22.2
83.08603	5.1
91.05489	11.6
93.07050	14.9
93.65743	2.0
95.04969	5.7
95.08595	16.7
105.03391	33.1
105.07029	17.3
107.08605	18.5
108.08904	2.9
109.10149	7.4
117.07027	8.0
119.08583	21.8
121.10144	7.3
123.11662	3.1
129.06987	3.8
130.07809	4.6
131.08566	14.2
133.10117	8.8
142.07791	2.0
143.08546	3.0
145.10118	44.9
146.10484	2.4
147.11673	7.2
149.09552	2.5
157.10065	6.6
159.11703	32.6
173.13309	5.2
179.14282	2.8
188.18282	2.7
201.16382	100.0
202.16919	8.2
203.17941	9.8
203.94618	2.2
204.07779	3.1
210.06735	2.6
221.05998	3.7
223.07318	2.6
224.08401	3.4
225.09132	2.5
235.07434	3.5
239.07143	3.2
239.10579	4.2
240.07741	2.4
249.05466	4.5
250.06155	2.7
252.07759	2.6
253.08527	9.0
255.10190	3.0
264.07745	2.1
265.08676	3.0
266.05856	3.1
266.09360	2.7
267.10068	6.6
267.15897	10.8
269.08020	4.5
270.08884	2.8
271.06006	3.3
272.34058	2.2
277.21646	2.3
281.08041	15.2
282.08670	4.4
283.09662	10.6
285.07452	4.1
294.08835	3.2
295.06140	3.1
295.09607	5.8
297.07898	3.1
297.11218	9.3
299.08978	5.3
307.09482	2.6
309.11124	2.6
310.08264	2.9
311.05710	3.3
311.09134	20.5
312.09677	4.6
313.07327	3.6
313.10669	10.0
314.07840	4.9
315.08484	3.3
325.10675	26.0
327.08542	7.9
327.12274	7.1
328.09415	4.4
337.10861	3.2
337.27332	8.8
339.12119	2.6
341.10156	8.1
343.11777	45.8
346.30252	2.3
355.11871	3.3
367.11694	6.0
369.13373	15.1
385.12814	20.4
387.14374	6.2
507.16327	8.3
529.38922	4.6
587.29883	41.6
588.30536	5.7
628.46338	3.6
736.19720	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.4
55.01873	9.1
55.05278	2.4
55.05516	29.0
57.03438	23.9
57.07069	4.1
59.04997	1.9
61.02925	36.7
65.03949	3.9
65.04259	1.7
65.40155	1.6
67.05502	81.8
68.05831	2.7
69.03432	21.1
69.07069	34.8
70.90421	3.5
71.01340	2.7
71.05000	8.6
72.63288	1.6
73.02911	14.4
77.03919	2.0
79.05492	82.7
80.05843	2.3
81.03419	25.6
81.07056	99.6
82.07397	2.9
83.04976	18.0
83.08604	18.1
85.02901	45.9
85.06535	5.7
85.11796	1.6
88.95200	1.6
91.03960	26.8
91.05478	72.0
92.05793	2.6
93.07039	100.0
94.07362	3.3
95.04977	15.7
95.08607	46.5
97.02891	29.0
97.06535	21.8
97.10169	5.8
99.04446	5.4
99.08074	7.8
101.02368	2.4
103.03921	2.3
103.05445	1.8
105.04488	2.4
105.07025	64.0
106.07362	3.7
107.04967	6.9
107.08594	57.5
109.02867	3.2
109.06541	8.1
109.10148	16.3
111.04383	2.5
111.08060	9.9
113.09608	2.1
115.03957	1.9
115.05424	2.7
117.07013	27.8
119.08582	45.2
120.08857	2.3
121.06497	7.2
121.10140	38.6
123.08054	7.6
123.11709	3.9
125.09633	5.7
127.03928	18.6
128.06219	1.9
129.05475	5.7
129.07005	14.7
130.07729	2.1
131.08560	31.9
133.06474	3.9
133.10127	43.7
134.10474	2.4
135.08046	4.3
135.11691	33.5
137.09625	3.2
139.11169	2.5
141.06967	2.1
143.08556	12.0
145.04976	18.1
145.06050	2.4
145.10114	21.1
147.08000	2.7
147.11685	33.7
149.09636	14.8
149.13258	35.1
151.11147	4.0
155.08545	3.5
157.10135	11.3
159.08134	2.7
159.11697	33.2
161.09608	3.7
161.13237	20.3
163.06076	10.5
163.11211	9.3
163.14796	4.8
169.10126	3.9
170.47324	1.7
171.10313	2.5
171.11667	9.3
173.09669	2.0
173.13274	12.1
175.11336	2.4
175.14839	8.8
177.12735	13.0
179.10745	2.4
179.14316	4.3
183.11673	4.9
185.13255	9.5
187.14792	4.5
189.12762	4.3
193.12241	2.5
195.13809	12.6
199.14847	8.3
205.12285	2.2
207.13919	2.0
213.16399	3.2
217.15860	3.0
219.13730	1.9
227.12756	2.6
229.19586	2.4
231.20941	3.2
239.17857	3.8
241.19470	16.2
247.20558	2.3
255.15889	3.0
257.19034	6.8
259.20547	42.6
260.20770	4.0
267.15839	3.8
269.17462	83.5
270.17700	5.1
275.20065	19.8
277.21600	4.6
281.17410	1.9
303.15875	2.5
333.24252	7.6
349.23813	23.8
350.23849	3.0
351.25302	76.0
352.25598	6.1
408.93536	1.8
441.26569	2.8
459.27576	3.3
461.28885	2.6
477.28482	2.3
495.29623	5.6
637.32336	9.8
726.33441	15.3
727.33868	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01870	1.9
55.05514	6.9
57.03436	5.5
59.04984	1.2
61.02925	1.4
65.03926	1.0
67.05505	30.1
68.05830	0.7
69.03426	2.3
69.07068	4.0
69.09142	4.6
71.04992	13.2
79.05064	0.9
79.05494	11.3
81.03418	21.6
81.07050	13.7
83.04964	3.6
83.08615	6.6
85.02904	1.4
85.06532	2.0
87.04459	1.0
91.05480	13.9
93.07041	10.5
95.04974	10.3
95.08610	7.7
97.02907	1.4
97.06520	2.1
97.10170	3.6
99.08086	1.1
105.07022	8.0
107.04956	7.6
107.08601	6.9
109.06518	7.2
109.10152	20.4
110.10481	1.2
111.04456	0.6
111.08106	2.7
115.05516	0.7
117.07021	3.7
119.04966	0.8
119.08577	8.6
121.06509	6.1
121.10173	4.1
123.08072	1.9
125.09602	2.8
129.07011	4.4
131.04967	1.0
131.08560	5.6
133.06508	1.9
133.10114	4.1
135.08037	4.0
135.11670	4.5
137.09615	3.9
139.11150	0.6
142.07806	0.9
143.08546	1.5
145.06480	2.5
145.10106	3.7
147.08076	2.0
147.11664	3.3
149.09573	2.3
149.13271	0.6
151.11256	0.6
155.08571	1.2
155.10631	1.0
157.10091	3.0
159.08084	1.0
159.11652	1.4
161.05951	0.6
161.09631	1.6
163.11168	3.2
165.12756	0.9
167.10712	1.3
169.10165	0.9
171.08072	0.8
171.11696	1.7
173.11742	2.9
173.13295	1.9
175.11130	3.1
177.12704	0.6
181.12201	0.6
183.11743	1.3
184.27364	0.6
185.13303	1.6
187.11266	1.0
189.09218	0.9
189.11240	1.2
191.14342	1.9
193.12233	5.4
199.11148	1.0
201.12820	0.9
203.10606	1.3
203.14455	1.4
205.12289	0.9
211.13206	0.8
213.12805	1.1
219.13782	3.3
221.15315	0.7
225.89819	0.6
227.12691	0.9
229.14261	0.8
231.13754	1.3
243.15971	1.7
249.14828	1.3
253.14429	1.1
255.15973	1.5
257.15057	0.7
267.15881	7.9
275.16336	1.3
287.18475	3.7
293.17566	0.7
301.21567	0.9
329.21121	5.8
337.21603	1.0
347.22031	0.6
355.22717	1.8
373.23837	0.8
393.24792	0.6
403.24832	3.1
411.25458	1.1
421.25848	16.3
422.26248	0.7
429.26355	7.6
430.26297	1.0
447.27396	100.0
448.27783	11.6
461.28809	2.3
479.30005	4.5
480.29950	0.9
555.29462	0.6
726.34717	1.7
727.35309	5.9
745.86926	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.1
55.05509	0.4
56.05022	0.6
57.07072	0.2
58.06623	0.4
59.07393	0.1
60.08163	6.5
63.66234	0.1
67.05494	0.9
69.07053	0.3
69.19193	0.5
69.19614	0.4
71.06979	0.2
71.07372	4.1
71.08643	0.1
77.33800	0.1
79.05484	0.4
81.03416	0.1
81.07030	0.6
81.52980	0.1
83.04958	0.2
83.08609	0.2
86.09703	33.0
87.10030	0.5
91.05466	0.3
93.07036	0.6
95.04975	0.1
95.08607	0.4
97.06530	0.1
98.22639	0.2
98.98463	3.7
104.10742	2.8
105.07044	0.3
107.08551	0.3
109.10138	0.3
119.08597	0.2
121.10168	0.3
125.00003	22.1
126.00304	0.3
133.10156	0.2
135.11726	0.2
143.01021	0.2
145.10156	0.1
163.11276	0.1
165.21339	0.1
184.07336	100.0
185.07692	2.2
211.25496	0.1
229.05571	0.1
232.22142	0.1
269.17679	0.2
311.14096	0.1
335.25784	0.3
469.22134	0.1
529.38574	0.3
726.46826	4.1
727.47205	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.478
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44831	1.4
53.03935	4.9
55.05515	19.5
57.03436	14.0
57.07078	3.5
60.08154	3.0
61.02915	6.5
65.03931	2.4
67.05503	83.9
68.05800	1.9
69.02832	12.6
69.03443	3.7
69.06721	2.6
69.07066	24.6
71.04987	5.0
71.07378	2.2
71.08635	2.4
78.48647	1.5
79.05491	51.4
81.03414	4.8
81.07055	91.0
82.07389	2.7
82.83414	1.5
83.04986	4.4
83.08602	15.4
85.02899	5.3
85.06554	3.8
86.09700	18.2
91.03938	1.7
91.05475	37.2
93.07041	67.9
94.07376	2.0
95.04959	5.8
95.08600	45.0
97.02900	3.9
97.06537	10.2
97.10158	5.2
98.22578	3.8
98.98480	2.3
99.08112	1.7
105.04482	1.9
105.07036	19.3
107.08593	37.4
109.06503	4.0
109.10153	16.8
111.08079	4.8
111.11723	1.8
113.09612	1.7
117.06994	9.6
119.08584	14.1
121.10143	23.8
123.08021	1.6
123.11691	7.1
124.99987	13.6
129.07030	1.6
131.08565	12.5
131.34741	1.5
132.97314	1.9
133.10114	18.7
135.08061	1.9
135.11676	16.2
137.13246	2.6
145.10143	6.0
147.11656	6.0
149.13271	17.0
150.13397	2.2
151.11218	3.2
159.11708	12.3
161.13229	5.8
163.14806	2.5
173.11835	1.9
173.13289	4.6
177.12810	2.4
179.14403	2.1
184.07338	52.3
187.14815	1.9
190.60983	1.8
195.13750	13.1
243.21164	2.7
261.22125	11.5
267.15845	1.8
269.17462	82.1
269.20370	4.1
270.17798	5.0
293.21011	4.9
317.24701	3.8
335.25781	88.6
336.26254	8.0
353.26944	1.6
357.17075	3.4
437.33981	3.6
441.18808	3.1
442.19031	3.6
455.35275	2.4
462.14685	1.7
467.37317	2.6
529.38855	100.0
530.39203	16.2
547.40411	1.8
628.46320	1.9
726.44763	10.7
727.45264	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.9
53.03941	3.6
55.01871	2.0
55.05512	10.7
57.03440	12.2
57.07071	3.6
60.08170	2.3
61.02937	5.1
61.09155	0.7
65.03935	1.7
67.05504	53.2
68.05824	1.6
69.01042	3.0
69.01463	4.5
69.03425	2.6
69.07068	15.2
69.20851	0.9
71.04993	3.5
71.07370	1.6
71.08633	2.5
73.02917	2.6
73.35508	0.8
75.40141	0.8
79.05491	33.6
79.89419	0.8
80.05843	0.8
81.03388	4.8
81.07054	62.7
82.07381	2.0
83.04991	3.9
83.08620	11.7
85.02914	5.8
85.06557	2.9
85.10194	1.0
86.09698	12.6
91.03960	3.3
91.05475	18.7
91.06007	1.4
93.07043	45.8
94.07368	1.5
95.04964	5.3
95.08604	31.2
96.08933	1.4
97.02901	3.8
97.06528	6.3
97.10172	2.4
98.98475	1.1
99.04465	1.2
99.08112	2.0
105.03377	1.1
105.07017	9.2
107.08588	27.4
107.09279	1.6
108.08961	1.3
109.06551	2.2
109.10158	9.8
110.36980	0.8
111.08070	4.0
117.07003	7.2
119.08588	7.5
121.06518	1.3
121.10136	18.3
123.08057	1.7
123.11716	4.1
124.99990	8.1
127.03907	1.3
129.07021	1.0
131.08566	9.5
133.10126	8.2
135.08066	1.6
135.11684	9.5
137.09650	1.2
138.42316	0.8
139.11177	1.2
145.10150	3.5
147.11716	5.1
149.13246	20.1
157.10071	1.0
159.11697	9.8
161.13287	2.3
163.14871	1.8
173.13300	2.6
177.12802	3.8
179.14490	0.9
184.07343	41.2
187.14821	1.2
195.13808	8.9
213.14880	0.9
243.08539	1.4
243.21045	2.1
261.22180	8.6
267.15891	2.0
269.17459	82.9
270.17770	5.0
314.27689	1.0
317.24850	2.3
335.25778	52.7
336.26083	4.7
357.17004	1.1
365.02615	0.9
437.34335	1.5
467.37146	1.4
469.20465	2.3
470.20651	3.9
498.31488	2.6
529.38843	73.6
530.39343	12.4
726.44720	100.0
727.45081	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2078
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03941	0.2
55.01889	0.2
55.05509	0.5
57.03194	0.2
57.03439	2.4
59.04990	0.3
59.74584	0.2
61.02917	0.9
63.16116	0.2
68.99792	0.4
69.03427	2.7
71.01348	0.6
71.03461	0.4
71.04993	9.6
72.05335	0.2
73.02918	2.4
75.04467	0.4
79.05507	0.2
80.95021	0.2
81.03414	0.7
81.07037	0.2
83.04981	2.2
83.32462	0.2
85.02904	14.6
87.04453	0.5
95.04951	0.3
97.02890	4.4
99.04439	0.4
103.03938	0.2
105.03358	0.3
105.07017	0.3
107.04960	0.3
109.02861	0.6
109.06447	0.2
111.00821	0.5
111.04420	1.3
113.02396	0.2
113.05934	0.2
115.03912	1.5
121.02856	1.9
127.03942	1.0
128.93822	0.2
129.05472	3.9
133.02850	0.4
133.10107	0.3
135.04379	0.4
137.02348	0.6
145.04947	0.7
147.04402	0.6
147.06519	1.8
153.01810	2.3
157.06448	0.3
163.11165	0.4
165.01831	1.6
179.10698	0.3
183.02875	0.6
184.44643	0.2
185.05930	0.4
207.10149	0.4
213.05554	0.9
225.07584	1.0
229.04977	0.2
231.06442	0.7
241.04901	0.7
243.08640	0.4
258.05252	1.0
259.06003	0.2
287.05481	100.0
288.05832	5.3
299.05429	0.6
311.05356	0.3
325.07156	0.3
329.06561	1.0
353.06390	0.3
383.07498	0.2
431.09341	0.5
449.10873	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2072
Annotation	Helieianeoside A
Peak:m/z	Relative Intensity
55.01842	0.1
56.16021	0.1
57.03397	0.2
58.83463	0.1
65.52954	0.1
68.99743	0.3
71.04995	0.6
71.11781	0.1
71.12111	0.1
73.02882	0.1
79.03768	0.1
85.02903	0.9
109.02843	0.1
111.00746	0.1
115.05388	0.2
121.02831	0.4
123.04391	0.1
127.03901	0.1
129.06966	0.1
137.02335	1.7
137.03374	0.2
139.03830	0.3
139.05402	0.1
143.04836	0.1
147.04344	0.2
147.07910	0.1
149.02347	0.4
149.24414	0.1
150.03082	0.1
157.06505	0.4
161.05911	0.3
163.03853	0.1
165.01732	0.2
167.04720	0.1
171.04387	0.2
173.05812	0.1
175.03897	0.1
185.05969	0.7
188.04556	0.1
189.05438	0.4
213.05453	1.8
214.05852	0.2
216.04178	0.3
231.06494	0.6
241.04903	0.8
242.05714	0.3
259.05988	0.2
269.04544	0.4
287.05472	100.0
288.05804	6.2
301.29929	0.1
361.24756	0.1
433.11343	0.1
581.14996	0.9
727.20764	2.9
728.21021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01874	1.1
55.05503	1.4
57.03437	2.4
59.05001	0.9
61.02921	4.2
62.89409	0.3
67.05506	3.6
69.03421	2.2
69.07067	1.1
71.04989	1.9
73.02905	2.4
75.04449	0.3
79.05495	3.5
81.03422	5.5
81.07055	3.4
83.01355	0.3
83.04987	1.3
83.08640	1.3
84.76004	0.3
85.02905	4.3
85.06565	0.6
87.04475	0.5
91.03960	2.1
91.05489	3.4
93.07034	3.0
93.62708	0.3
95.04951	1.6
95.08598	1.1
97.02885	3.5
97.06541	0.8
98.22528	0.5
99.04447	0.9
101.02390	1.2
102.48293	0.3
103.03990	0.4
105.07030	2.2
107.04961	1.2
107.08598	2.1
109.02910	0.8
109.06501	0.8
109.10173	0.9
111.04491	0.6
111.08093	0.8
115.03944	0.5
117.07002	0.6
118.40755	0.3
119.08610	1.7
121.06525	0.5
121.10114	2.6
123.08102	0.6
127.03963	1.3
129.07030	0.9
131.08598	1.2
131.36014	0.3
133.10207	1.1
135.11707	0.9
137.09705	0.4
137.11072	0.3
145.04852	0.3
145.10124	1.6
147.11699	1.2
149.09618	2.0
157.10176	1.3
163.11183	2.0
165.12842	0.4
175.11278	0.9
184.07446	0.9
191.01305	0.3
193.12329	1.4
211.13300	0.5
225.14954	0.6
243.08418	2.0
249.10872	0.4
267.15945	0.9
283.15189	3.6
338.25644	0.4
339.17715	0.9
447.27493	1.1
448.27777	2.4
467.18896	7.8
468.19186	0.6
469.20734	0.7
501.23053	8.1
502.23413	0.8
587.93390	0.3
695.33295	0.5
727.35077	100.0
728.35443	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.7
58.06634	0.4
59.07387	0.2
60.08166	6.6
67.05509	0.2
69.07061	0.1
70.06606	0.1
71.07376	4.0
71.31593	0.2
79.05482	0.1
79.88908	0.1
81.07054	0.2
82.53165	0.1
86.09705	32.4
87.10036	0.7
89.59469	0.1
91.05505	0.1
93.07066	0.3
98.98470	4.4
98.99123	0.2
104.10751	2.5
105.07005	0.2
125.00004	21.9
126.00368	0.2
143.01064	0.1
184.07343	100.0
185.07697	2.1
323.68970	0.1
324.59116	0.1
486.58893	0.1
728.44867	3.5
729.45654	0.6
732.47046	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.1
56.05032	0.8
57.85204	0.1
58.06638	0.4
59.07395	0.1
60.08166	6.4
61.08506	0.1
67.05507	0.2
69.07059	0.2
69.13242	0.2
69.13645	0.6
70.06594	0.1
71.06980	0.2
71.07373	3.7
79.05511	0.4
81.03448	0.1
81.07059	0.2
86.09706	33.0
87.10030	0.6
91.05485	0.2
93.07060	0.3
95.08618	0.2
97.55416	0.1
98.98466	3.7
104.10038	0.1
104.10741	2.3
104.11404	0.2
105.07008	0.2
107.08629	0.2
119.08586	0.1
125.00005	23.3
126.00324	0.3
129.07057	0.1
131.88889	0.1
133.10081	0.1
137.08734	0.1
143.01077	0.3
143.08554	0.1
145.10196	0.1
177.12698	0.1
182.64180	0.1
184.07343	100.0
185.07713	1.8
468.44113	0.1
631.30023	0.1
710.43896	0.1
728.45190	2.6
729.45917	0.6
741.73389	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98640	1.0
53.03944	2.8
55.01869	5.0
55.05516	9.8
55.05746	1.6
57.03439	8.2
57.07069	3.5
61.02921	1.7
62.51963	1.0
65.03922	3.2
67.05504	53.2
68.11388	1.2
69.03416	4.9
69.07069	15.2
71.04993	2.9
73.02885	1.4
73.71791	1.2
79.05492	29.7
81.03422	4.4
81.07053	45.3
82.02363	1.0
83.04995	6.9
83.08604	3.9
85.02927	2.3
85.06533	4.9
86.09705	7.4
87.76060	1.2
91.05483	32.4
93.07045	31.4
94.34283	1.2
95.04993	5.5
95.08603	24.4
97.06522	3.5
97.10157	1.3
98.98511	1.7
99.04441	1.3
102.08612	1.1
105.07033	28.3
107.08595	30.2
109.06521	3.5
109.10157	44.8
110.73212	1.0
111.08083	1.3
115.05450	1.7
117.07025	3.9
119.08563	8.6
121.10130	11.2
123.08046	1.8
123.11726	9.1
124.99998	3.2
127.07508	2.7
131.08562	6.7
133.10133	52.8
134.10452	2.7
135.08011	1.5
135.11700	8.0
137.09622	1.6
143.08586	1.8
145.10115	3.2
147.11659	1.9
149.13263	4.1
151.11182	22.0
159.11700	3.5
161.09653	1.9
161.13263	1.2
163.14839	1.6
169.12245	4.2
173.13364	2.4
175.14754	1.7
179.10754	1.9
184.07359	12.2
187.14801	1.4
215.12738	2.8
243.21066	4.5
253.14348	100.0
254.14662	6.4
261.22128	13.0
271.15399	35.6
281.93097	1.2
317.24658	1.7
318.71945	1.2
335.25781	50.8
336.26129	5.0
390.18631	1.3
393.31497	1.4
439.31805	2.1
457.33261	1.4
513.35632	5.0
514.36450	1.7
531.36798	48.7
532.37451	7.6
627.91907	1.1
669.37018	1.9
728.43829	3.4
729.44305	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
53.29506	0.7
55.01869	5.5
55.05511	9.0
57.03434	6.6
57.07080	1.2
61.02913	1.9
62.84208	0.8
65.03934	1.1
67.05505	45.8
69.03438	3.7
69.07072	11.8
69.27955	0.7
69.28244	6.2
71.04985	3.2
76.88016	0.9
79.05489	21.6
80.05823	1.0
81.03400	3.2
81.07056	42.4
81.08917	0.7
82.07412	1.2
83.04973	6.7
83.08621	4.5
85.02887	2.3
85.06566	4.6
86.09695	2.9
91.05482	29.8
91.58840	0.7
93.07044	25.3
95.04963	6.2
95.08601	19.7
97.02867	1.4
97.06515	3.9
97.10158	1.3
99.04456	2.1
105.07033	28.2
106.07308	1.0
107.04935	1.1
107.08593	26.1
109.06510	3.7
109.10158	42.8
110.10497	1.9
111.08065	1.5
113.06010	1.8
117.06981	3.7
119.08570	6.3
121.10147	8.1
123.08009	1.3
123.11713	7.8
123.93543	0.7
125.00019	1.5
125.09621	1.1
127.07558	2.4
128.06181	1.1
129.06993	0.8
131.08572	5.5
133.10130	51.1
134.10451	1.0
135.08109	1.3
135.11691	4.2
137.09616	1.0
145.10123	3.9
147.11693	2.9
149.13229	2.8
151.11179	25.2
152.11555	1.3
157.10100	1.3
159.11684	3.2
161.09616	2.1
161.13191	2.7
163.11163	0.8
163.14812	1.9
169.12207	4.6
173.13228	2.2
177.12694	0.9
177.16437	1.2
179.10609	1.0
184.07347	6.9
185.13202	1.0
187.14833	1.2
197.11623	0.8
201.16273	0.8
215.12782	2.2
237.76945	0.7
243.21077	3.1
243.38760	0.8
253.14345	100.0
254.14711	6.2
261.22150	11.3
262.22485	1.2
271.15381	31.5
271.18317	1.8
272.15686	1.3
279.23126	1.5
310.42410	0.8
317.24796	1.5
335.25818	28.5
336.26086	2.5
347.71664	0.9
386.44733	0.9
439.32208	1.4
457.33374	2.4
513.35748	6.1
514.36530	1.2
531.28845	1.5
531.36810	31.6
532.37091	4.0
548.92651	0.8
728.45142	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
55.05511	12.1
57.03438	9.0
57.07064	3.9
57.11499	0.9
58.67287	0.7
60.08181	0.9
61.02944	1.4
65.03933	2.1
67.05503	47.7
68.05833	1.1
69.01759	5.2
69.02180	3.4
69.03440	1.1
69.07068	18.7
71.04987	2.4
71.07367	0.9
71.08629	1.3
73.02946	0.9
76.71336	1.0
79.05490	21.4
81.07056	54.7
82.07389	1.6
83.04980	3.4
83.08617	11.6
85.02911	1.2
85.06557	1.5
86.09711	2.7
91.03960	0.8
91.05477	12.0
93.07038	27.3
94.07403	0.9
95.04975	1.4
95.08604	26.5
96.08990	1.0
97.06540	5.2
97.10179	3.5
98.98478	0.9
99.08089	1.3
105.07029	6.3
107.08589	17.6
107.09267	0.9
109.06499	1.3
109.10152	10.1
111.08087	3.0
111.11742	1.2
117.07009	4.1
119.08588	5.5
121.10139	10.5
123.11717	3.5
125.00002	1.9
131.08594	3.0
133.10135	5.8
135.11705	4.6
139.11235	1.2
145.10107	1.7
147.11728	2.5
149.13252	15.9
159.11726	4.9
161.13252	1.3
161.72505	0.9
163.14816	1.0
175.14905	2.0
177.12769	2.5
184.07332	11.2
189.16521	0.9
195.13806	6.1
201.16388	1.8
203.18036	1.9
213.14906	0.9
229.14366	1.7
245.22684	1.6
263.23651	3.1
269.17459	48.0
270.17880	2.5
281.53610	0.9
337.27350	48.7
338.27765	3.1
343.11572	0.8
508.19370	0.9
509.21005	4.3
531.40430	100.0
532.40698	13.1
579.78857	0.9
728.48438	1.4
729.39435	15.5
729.50757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	15.2
55.01868	29.4
55.05510	23.2
57.07067	12.4
60.04528	19.9
66.74203	4.5
67.05497	27.4
69.07078	23.7
71.08613	6.6
74.47012	4.5
78.14256	4.7
79.05464	10.3
80.05014	18.2
81.05803	4.8
81.07057	23.2
82.06581	78.5
83.04982	6.3
83.08622	27.9
91.05489	51.6
93.07048	94.6
94.06567	100.0
95.04974	24.6
95.08594	23.1
97.10170	8.0
98.22574	11.2
105.04601	6.2
105.07052	20.4
107.08622	12.7
109.06564	8.4
109.10183	11.6
110.06008	4.4
116.70424	5.5
117.07023	4.5
119.08595	8.2
121.10154	7.4
131.08615	7.7
145.10109	6.0
155.14238	7.6
167.14333	36.8
202.29120	5.1
203.17938	7.0
226.84373	4.2
229.19455	5.1
243.44872	4.6
246.22342	4.4
247.20531	12.2
259.16727	9.2
259.20584	18.3
264.23322	9.0
272.25980	9.9
276.23215	60.6
277.21548	28.7
294.24255	29.6
336.28876	8.6
348.28833	18.2
364.32114	18.0
410.69864	4.9
493.32938	5.7
518.45587	12.0
530.45642	49.7
531.45917	6.8
548.46729	82.5
549.46735	12.6
599.50183	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75299	1.0
56.96559	2.1
57.03444	2.6
61.02930	4.9
61.23943	1.2
67.05510	3.7
69.03433	2.4
69.72667	4.9
71.05006	2.5
73.02933	3.1
79.05501	3.2
81.03017	2.0
81.03487	10.9
81.07063	4.3
83.04992	1.3
83.08621	1.3
85.02918	5.5
91.03953	3.1
91.05487	4.0
93.07055	2.9
95.04978	3.4
97.02909	5.1
98.97614	1.8
101.02377	2.2
105.07034	2.2
109.10145	1.4
112.99182	1.7
119.08624	3.1
121.10142	1.6
128.98570	1.3
129.06982	1.9
129.67641	1.2
131.00179	3.2
131.08598	1.9
133.10150	1.4
139.55891	1.0
149.01250	1.3
149.09613	1.8
175.11232	1.6
191.02509	1.1
193.12328	3.4
211.13243	1.5
215.03226	1.6
235.91942	1.1
239.09500	1.2
243.08795	4.0
245.06657	1.0
251.12569	2.2
261.09875	1.2
267.09021	8.7
274.93518	1.2
281.10983	1.3
283.08655	3.1
283.15143	2.7
285.10114	8.4
293.05478	1.6
301.09531	2.9
307.13034	1.6
317.06259	1.8
365.13629	1.2
383.14517	1.3
389.08319	2.5
401.15570	5.7
402.26212	1.3
411.14084	3.1
413.17523	1.3
447.14972	1.2
449.22659	2.9
459.16281	2.7
461.17117	1.1
469.20480	9.7
482.86942	1.1
485.17371	5.0
501.16931	6.7
501.23251	9.3
501.77829	1.2
515.18860	1.6
529.23511	1.4
543.18311	1.5
543.25891	1.7
544.19135	12.2
557.19922	4.5
585.23688	1.9
619.13165	1.2
627.27679	7.8
628.28265	7.1
639.29529	3.5
657.30365	3.0
667.31152	1.9
683.31427	1.5
697.33282	2.3
711.29913	4.0
712.30304	1.9
729.31726	100.0
730.31702	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.9
55.05509	2.0
57.03431	3.7
57.07066	1.5
61.02922	6.1
67.05495	4.3
69.03425	5.2
69.07059	1.1
69.79762	4.2
71.04967	1.5
73.02926	5.9
79.05478	3.0
79.56286	1.1
80.95228	0.9
81.07054	3.4
83.01106	3.5
83.04966	2.8
84.01912	1.3
85.02905	8.9
91.03958	5.5
91.05473	2.0
93.07026	1.9
95.01077	3.4
95.04977	1.0
95.08628	1.3
96.01885	2.8
97.02911	7.2
97.10146	1.4
99.04443	1.7
101.02390	2.2
105.07018	2.5
107.08619	2.2
109.02830	0.9
109.10168	2.7
115.03943	1.1
117.05541	1.5
117.07043	1.0
118.94122	0.9
121.02642	2.6
121.10184	2.0
123.04216	1.9
125.09660	2.1
127.03903	2.8
129.05469	4.0
135.11700	1.5
135.59113	0.9
136.62393	0.9
139.03745	1.2
145.04996	1.3
145.10101	1.2
147.11674	1.6
156.03990	1.3
157.04765	2.3
163.11217	1.4
167.03194	3.1
181.04753	3.1
184.03444	2.4
185.04213	16.9
185.05731	1.6
193.04756	1.2
199.05711	1.2
201.03677	7.6
201.15082	1.4
203.05354	1.9
205.04788	2.3
205.12096	1.9
209.11430	1.6
221.11520	1.8
223.13097	1.3
226.04501	0.9
239.05260	0.9
241.06909	1.5
243.08354	11.2
249.11055	3.2
251.12619	2.5
259.07962	1.6
263.12479	1.7
265.14191	1.9
267.12088	1.9
277.14240	1.5
281.13773	1.8
293.13620	2.8
301.08948	36.0
302.09406	1.0
307.15216	1.4
313.08881	5.8
315.10474	9.9
317.08511	2.0
319.09872	1.2
327.10675	3.7
327.14310	1.2
328.10156	1.0
329.12076	2.0
341.12158	2.4
343.09909	0.9
343.13684	1.1
343.17654	0.8
355.13516	2.0
357.15265	1.4
365.15759	1.9
365.22870	1.2
369.15369	1.0
371.16879	1.9
373.10999	8.2
383.16745	7.5
385.11020	2.1
385.18280	20.1
386.18625	1.6
387.12811	2.7
389.10626	1.6
397.18326	0.9
399.12796	1.6
401.18069	3.7
411.16287	3.2
413.18243	1.7
423.20105	1.2
427.15900	1.2
429.17599	1.9
439.19342	1.9
443.19003	3.2
449.24716	2.0
455.18668	2.7
457.20557	4.2
467.19025	6.4
469.20468	5.7
473.19980	4.9
483.22833	1.1
485.19733	7.0
497.20755	1.2
499.21542	2.4
501.22943	3.2
511.21371	2.0
527.20990	27.2
527.28760	1.9
528.21399	2.3
539.20972	1.3
543.28070	1.3
553.30096	1.4
557.21741	4.5
569.26215	1.6
571.23596	1.2
583.30554	1.7
585.25385	1.7
595.30432	1.1
596.31293	7.2
611.30316	19.4
612.30493	2.3
627.29785	6.5
657.29749	1.2
667.32880	3.4
669.30688	1.7
695.32501	2.6
711.31445	2.5
729.33148	100.0
730.33435	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.6
55.01887	0.8
55.05513	1.9
57.03439	1.9
59.05021	1.1
61.02928	4.3
67.05502	3.2
69.03444	3.1
69.07053	0.6
71.05000	2.3
71.28933	0.9
73.02902	3.5
73.59206	0.5
79.05479	3.8
83.05008	1.7
83.08638	2.2
85.02897	4.8
91.03970	2.3
91.05485	3.6
93.07048	2.3
95.04972	2.3
95.08640	1.5
97.02898	3.6
97.06577	0.6
97.10183	0.7
99.04482	0.8
101.02417	1.8
105.07021	2.8
107.04953	0.7
107.08611	1.1
109.02908	0.7
109.06528	0.5
109.10159	1.2
109.54825	0.4
111.08131	1.0
119.08635	2.0
121.06528	0.6
121.10200	2.0
123.08009	0.8
127.03967	1.7
129.07037	1.1
131.08583	2.6
133.10191	2.1
137.13365	0.5
142.07819	0.6
147.08092	0.6
147.11749	1.4
149.09685	2.1
157.10188	2.0
175.11266	2.0
185.04260	0.6
193.12199	3.4
211.13416	1.6
227.09645	0.5
243.08444	2.9
251.12553	2.7
267.09015	1.1
267.16052	0.9
283.15121	2.8
285.10291	1.9
307.15140	1.0
339.17773	0.7
441.21109	0.5
469.20422	11.0
470.14938	0.6
470.21063	1.3
485.17825	0.5
501.16470	0.5
501.23059	11.4
501.29703	0.8
502.23654	1.1
567.31781	0.7
639.29919	0.9
657.30176	1.2
683.32428	1.3
697.33588	1.0
711.31689	0.9
729.36810	100.0
730.37366	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01854	0.6
55.05498	1.5
57.03440	2.4
61.02923	5.7
67.05507	4.2
68.83060	0.5
69.03436	2.7
69.07060	1.0
70.54724	1.6
71.05003	0.8
73.02918	3.2
77.45162	0.5
79.05492	4.8
83.04955	1.1
83.08612	2.0
85.02911	5.9
85.06511	0.6
87.04478	0.7
88.60840	0.6
91.03952	3.1
91.05482	5.1
93.07050	3.1
95.04964	2.4
95.08599	1.8
97.02891	5.3
97.06543	0.7
97.10184	0.5
99.04442	1.0
101.02381	2.1
105.07016	3.8
105.85289	0.6
107.04946	0.9
107.08629	2.3
109.02879	1.0
109.06490	1.0
109.10155	1.2
110.36068	0.5
111.08084	0.9
119.08595	3.0
119.09337	0.6
121.10151	1.5
123.04443	0.8
127.03907	1.1
128.61725	0.5
129.06996	1.8
131.08577	1.6
133.06540	0.5
133.10132	2.3
135.08046	0.9
137.05949	0.7
145.10100	0.5
147.08005	0.6
147.11674	2.3
149.09641	1.0
151.11192	0.9
157.10089	1.5
175.11160	1.9
185.04283	0.6
193.12260	2.1
203.05287	0.6
211.13339	0.8
243.08365	3.5
251.12474	2.8
259.07748	0.7
267.15866	0.8
274.91467	0.5
283.15115	1.7
285.17090	0.9
291.86249	0.6
301.08963	1.3
307.15054	1.4
379.51981	0.6
381.19232	0.6
385.18076	0.9
413.18140	0.7
449.24954	0.6
464.27032	0.6
467.18811	1.1
469.20483	15.5
470.20847	1.2
485.19885	1.1
501.23096	4.8
599.30768	0.6
611.30396	0.8
639.29803	6.7
640.30359	0.8
657.30920	0.7
683.31580	1.6
697.34015	6.5
698.33289	0.9
711.31360	2.1
729.36774	100.0
730.37079	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96103	0.3
53.03948	0.6
55.01870	0.5
55.05513	0.8
56.71103	0.3
57.03438	1.8
59.04998	0.9
61.02923	3.8
67.05506	1.9
69.03429	1.7
69.07080	0.7
69.09345	1.3
69.09759	1.2
71.04998	1.6
73.02908	2.9
79.05494	2.3
83.04980	0.9
83.08640	1.4
85.02906	4.8
87.04465	0.4
91.03963	2.4
91.05473	3.8
93.07057	1.9
95.04983	1.1
95.08618	0.4
97.02882	3.0
97.06552	0.7
99.04447	0.7
101.02370	1.5
105.07019	2.5
107.04967	0.6
107.08601	0.9
109.02892	0.8
109.06528	0.4
111.08113	0.7
119.08612	1.0
121.10152	1.5
123.08100	0.6
127.03942	1.1
129.07016	1.4
131.08585	1.3
133.06471	0.4
133.10173	1.2
147.08116	0.5
147.11713	1.6
149.09573	1.5
157.10139	1.4
175.11174	1.7
185.04253	0.5
193.12181	2.0
195.06624	0.4
211.13217	0.7
221.88342	0.4
225.14822	0.5
242.40344	0.3
243.08458	2.3
251.12617	1.2
267.16046	0.7
283.15152	3.7
339.17838	0.7
469.20444	9.3
470.21103	0.6
501.23065	9.5
502.23526	1.0
534.85950	0.3
567.31616	0.6
729.36627	100.0
730.36993	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01868	0.6
56.01141	0.4
57.03442	1.0
61.02914	1.4
67.05524	0.4
69.03426	2.8
69.97792	0.4
69.98124	1.6
71.01336	0.6
71.04992	0.4
73.02908	0.4
81.03413	1.7
85.02903	12.4
91.05484	2.0
95.04958	1.6
95.61654	0.4
97.02888	3.7
99.00808	5.4
99.04451	0.8
103.05464	0.6
107.04942	1.3
109.02866	1.3
117.01823	1.8
117.03391	0.4
119.04955	1.0
121.06505	6.1
123.04442	1.9
125.05967	0.6
127.03911	2.4
127.99869	0.4
131.04947	1.3
133.02858	0.6
134.03613	1.3
135.04376	0.8
137.05971	5.5
139.84488	0.4
143.04944	0.8
145.02849	0.7
145.04906	3.2
145.06483	0.4
147.04387	1.8
149.05984	18.7
150.06409	0.5
151.03978	0.7
151.06386	0.6
151.07536	9.1
152.06201	1.7
153.06998	11.8
154.07393	0.5
161.05974	0.5
163.03893	1.3
163.06021	0.8
163.07533	1.5
165.07005	0.9
167.07053	0.4
167.08572	1.1
169.06433	0.4
170.07289	1.0
174.37816	0.4
175.07542	0.9
177.05463	2.1
177.09140	0.5
178.05748	0.4
179.07066	1.1
180.05713	1.0
181.06476	23.1
182.06909	1.8
185.09642	0.6
195.06464	0.8
195.08054	3.3
197.05980	1.3
198.06776	3.2
199.07503	0.7
201.05473	0.5
203.07002	0.4
205.06477	1.6
208.05225	0.6
209.05951	5.7
210.06609	0.8
211.07541	0.6
213.09103	21.5
214.09427	1.3
217.29994	0.4
222.06750	0.9
223.07558	1.7
224.07976	0.4
225.05429	0.6
226.06297	1.2
227.07077	0.4
227.10712	1.0
229.04895	0.4
233.06085	1.9
237.09059	2.3
239.07173	0.6
240.57076	0.4
241.08585	22.3
242.09227	2.7
245.11754	0.5
249.05368	0.6
250.06198	1.7
251.06935	0.7
255.10078	0.8
258.08908	6.7
259.09433	0.4
261.05420	0.7
264.07675	0.8
265.08612	7.9
266.09033	0.7
267.06607	0.5
272.10443	2.5
273.11197	100.0
274.11533	6.2
277.04974	0.5
278.05719	2.0
279.06442	0.6
282.08798	0.7
292.07263	2.3
293.08044	10.6
294.08618	1.9
295.06006	0.5
297.11319	3.1
307.06192	0.5
307.09561	1.7
310.08279	0.9
320.06830	0.9
321.07526	1.4
322.08228	1.1
323.05493	0.5
325.10675	13.1
326.10965	0.6
335.09131	2.1
338.07785	2.0
353.10172	30.2
354.10468	2.6
371.11279	5.2
372.11783	0.7
713.16376	0.5
731.17725	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.1
55.05504	0.2
56.05043	0.8
57.07059	0.1
58.06617	0.4
59.33590	0.1
60.08162	5.9
63.61487	0.1
67.05505	0.6
67.84740	0.1
68.42858	0.1
68.47443	0.1
69.07054	0.1
69.17576	0.8
70.06568	0.2
71.06979	0.2
71.07371	3.6
79.05479	0.4
81.03411	0.2
81.07037	0.4
83.04993	0.1
86.09702	29.7
87.10018	0.5
91.05479	0.4
93.07038	0.3
95.08595	0.4
98.22658	0.2
98.98461	3.5
104.10738	2.3
105.07032	0.4
107.08579	0.5
109.10167	0.3
111.08028	0.1
119.08588	0.5
121.10184	0.1
123.11700	0.1
124.99998	20.4
125.09651	0.2
126.00316	0.1
129.07014	0.1
131.08560	0.2
133.10129	0.3
139.07547	0.1
142.07858	0.1
143.01019	0.2
143.08534	0.1
145.10109	0.2
147.11678	0.2
157.10118	0.2
159.11752	0.2
171.11806	0.1
183.11708	0.1
184.07333	100.0
184.43317	0.1
185.07707	1.8
197.09785	0.1
203.18013	0.1
235.14723	0.1
257.15396	0.1
468.23877	0.2
469.83447	0.1
659.40442	0.2
730.46490	3.5
731.47656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.4
56.05043	0.9
58.06610	0.3
60.08167	6.9
67.05500	1.0
69.07043	0.3
71.07379	4.4
79.05502	0.6
81.07054	0.8
83.04990	0.2
86.09708	34.2
87.10049	0.7
91.05486	0.6
93.07043	0.5
95.04978	0.2
95.08617	0.8
98.22718	0.9
98.23417	0.5
98.98467	4.0
104.10748	2.6
105.07037	0.4
107.08612	0.3
109.10163	0.4
119.08585	0.4
121.10129	0.2
125.00008	22.1
126.00381	0.2
133.10136	0.4
135.11668	0.3
143.01094	0.4
145.10104	0.3
157.10124	0.2
163.16866	0.2
184.07347	100.0
185.07715	1.9
196.68938	0.2
246.43307	0.2
255.15889	0.2
273.16827	0.2
335.25668	0.2
346.70508	0.2
450.21890	0.2
489.35599	0.3
520.33911	0.2
533.37982	0.2
543.23737	0.2
553.08295	0.2
730.46387	3.5
731.46057	0.6
761.68079	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26403	0.3
53.03933	0.5
55.01856	0.5
55.05475	1.3
57.03430	1.9
59.04986	0.5
61.02928	4.3
67.05510	7.0
69.03432	3.1
69.07033	0.5
71.01345	0.9
71.04978	0.8
71.29290	0.4
73.02921	3.5
79.05507	2.2
81.03424	3.6
81.07065	2.5
82.50632	0.3
83.04932	1.0
83.08575	1.4
85.02899	5.8
87.04428	0.8
91.03950	3.3
91.05477	3.6
93.07009	1.4
95.04916	1.3
95.08566	1.7
97.02895	4.7
97.06530	0.5
99.04414	1.5
101.02328	1.7
103.03912	0.6
105.06993	1.5
107.04973	0.8
107.08582	0.9
109.02855	1.0
109.06515	0.5
109.10146	6.2
111.04421	0.5
111.08046	1.0
113.05955	0.3
115.03879	0.6
116.13322	0.4
117.90381	0.4
119.08600	1.8
121.10120	0.8
123.04456	0.5
126.93011	0.4
127.03898	2.1
129.06990	0.4
131.08572	0.9
133.06400	0.6
133.10071	1.2
137.05901	0.6
137.09497	0.4
139.03867	0.6
145.04993	0.4
147.11674	1.2
149.09602	0.6
157.10089	0.9
163.03908	1.0
163.11165	0.5
173.11731	2.1
175.11101	1.0
177.05544	0.4
185.04230	0.9
193.12268	1.8
195.09923	0.7
203.05211	0.4
211.13268	1.0
229.14323	1.6
243.08421	3.2
251.12564	2.1
267.15930	0.5
291.85120	0.4
301.08984	0.4
306.96567	0.4
307.15207	0.7
413.17807	10.7
414.18201	0.9
469.20438	11.6
470.20923	1.3
471.21277	0.5
479.26013	0.5
485.19678	0.6
613.82574	0.4
641.31396	100.0
642.31714	11.9
667.32959	0.8
681.31085	1.6
685.34137	1.0
687.35376	0.7
713.33386	2.2
731.34778	17.4
732.34344	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.7
55.01877	0.5
55.05519	0.8
57.03437	1.9
59.05009	0.6
61.02930	4.5
67.05503	5.6
69.03420	2.8
69.07076	0.9
71.04990	4.7
71.30813	0.5
73.02923	3.7
79.05501	3.7
81.03422	3.9
81.07056	2.8
83.04989	1.0
83.08628	0.7
83.27477	0.3
85.02902	4.8
85.06511	0.4
87.04472	0.6
91.03945	3.3
91.05488	3.7
93.07047	2.8
95.04945	1.6
95.08614	1.8
97.02885	4.0
97.06555	1.0
99.04483	1.1
101.02425	1.1
103.03968	0.7
105.07046	1.6
107.08582	1.9
109.02905	0.9
109.06541	0.7
109.10153	3.6
116.89975	0.3
117.07070	0.5
119.08553	2.3
121.06535	0.4
121.10168	2.1
123.04433	0.3
123.08006	0.4
127.03940	1.5
129.07059	0.6
131.08629	1.0
133.10153	1.8
135.11705	2.0
137.09645	1.6
139.03944	0.5
145.10152	0.4
147.11729	0.9
148.04306	0.4
149.09695	1.6
151.11273	0.3
155.10661	0.5
157.10228	0.9
173.05977	0.4
173.11777	0.7
175.11226	0.6
193.12332	1.2
203.05339	0.5
211.13248	0.4
225.14912	0.5
243.08426	3.0
243.15987	1.1
253.14046	1.6
267.15958	0.9
283.15189	3.7
315.13379	0.4
339.17969	1.0
427.19434	0.6
439.19342	0.5
451.19308	0.5
454.72266	0.3
471.21997	8.8
471.28592	0.5
472.22775	1.1
501.23071	11.0
502.23444	1.2
510.43500	0.4
569.33228	0.4
627.29828	0.6
641.30072	0.9
679.57330	0.4
713.34698	0.5
731.38208	100.0
732.38580	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01869	0.6
55.05520	2.0
57.03441	2.4
57.07073	0.7
60.08152	0.4
61.02927	5.5
67.05504	8.0
69.03430	4.0
69.07064	2.9
71.01363	0.4
71.04982	0.6
71.17669	0.3
73.02918	4.5
79.05492	4.1
81.03428	2.9
81.07059	8.4
83.04987	1.0
83.08618	1.7
85.02897	5.5
86.09718	1.4
87.04463	0.4
89.85840	0.3
91.03952	3.5
91.05470	3.5
92.00658	0.4
93.07050	7.3
95.04974	0.8
95.08601	6.3
95.09161	0.6
97.02887	5.0
97.06562	0.7
98.22892	2.3
98.98499	0.4
99.04475	0.9
101.02383	2.0
105.07009	3.1
107.08586	4.9
109.02892	1.0
109.06553	0.5
109.10166	2.8
111.04497	0.5
111.08095	0.6
117.07043	1.4
119.08578	2.4
121.10131	3.2
123.08074	0.5
123.11746	0.7
125.00004	0.9
127.03926	1.3
128.06287	0.4
131.08580	1.7
133.10107	2.0
135.11717	1.5
137.39198	0.4
143.08565	0.8
145.10162	1.4
147.11732	1.7
149.13284	1.6
157.10104	0.7
159.11725	1.1
161.13263	1.0
163.11296	0.5
177.12859	0.5
181.10075	0.5
184.07411	2.3
185.04269	0.7
187.14771	0.6
195.00327	0.7
203.05341	0.6
203.17992	1.4
210.97726	1.0
235.13133	1.2
243.08466	1.9
249.16338	0.4
283.15677	0.5
291.21243	0.5
335.25958	1.0
349.10263	0.5
453.20892	5.0
519.29370	8.6
534.38354	0.6
541.34967	0.7
559.35339	0.7
597.84918	0.5
731.43341	100.0
732.43665	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90961	7.1
55.05502	30.3
57.07074	13.5
65.03947	13.9
67.05507	58.0
69.07057	30.8
69.25791	28.9
69.26212	25.9
71.04971	8.8
79.05505	39.5
81.03419	49.5
81.07062	76.3
83.04979	23.7
83.08607	10.5
91.05474	52.5
93.07046	82.5
95.04982	14.4
95.08605	100.0
97.06546	8.4
97.10157	9.8
105.07024	65.5
107.08580	73.2
109.06540	13.9
109.10156	36.7
111.04427	14.9
111.08089	25.7
117.06985	14.0
119.08585	93.7
121.06509	16.3
121.10135	50.9
123.08034	11.3
124.99979	11.1
128.06271	14.0
129.07016	23.6
130.07837	11.0
131.08571	30.8
133.06476	8.9
133.10143	81.2
135.08063	17.5
135.11685	24.6
137.09569	8.6
139.07506	15.3
141.06966	9.3
142.07724	14.7
143.08554	38.3
145.06479	7.3
145.10121	57.8
147.08061	20.1
147.11690	36.0
149.09540	8.2
149.13283	8.8
155.08569	20.9
156.09352	8.8
157.06509	11.1
157.10126	27.9
159.08069	21.5
159.11685	27.9
161.09633	12.0
161.13284	19.7
167.08591	18.9
169.10155	18.4
171.08066	18.7
171.11578	11.2
173.09630	17.6
173.13396	7.6
175.11243	8.4
175.14903	13.2
177.16406	16.5
179.08580	11.6
181.10081	9.4
183.11661	18.3
184.07283	37.1
185.09598	18.7
185.13248	12.6
187.11238	18.3
187.14870	9.2
189.12732	7.6
193.10226	17.2
193.12077	8.8
195.08107	10.7
195.11682	20.8
197.09680	10.2
197.13226	15.9
199.11145	9.5
201.16406	25.1
203.17908	21.1
207.11717	9.2
209.13324	7.5
211.11171	14.5
211.14706	7.7
213.09174	8.5
219.17397	10.3
221.13158	10.7
225.12750	9.3
227.14357	17.5
235.14760	9.2
239.14259	22.6
244.12410	9.4
245.15457	18.3
257.15463	12.5
275.17999	10.8
325.18027	12.1
381.24146	8.5
455.25778	10.1
457.23569	15.9
677.41589	11.6
731.32220	9.3
755.59839	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	21.9
57.07063	9.6
65.03935	7.6
67.05508	57.1
69.07052	19.6
79.05495	30.7
81.07062	69.3
83.04972	9.1
83.08611	12.8
83.33829	6.3
91.05486	56.5
93.07042	71.1
95.04956	15.3
95.08610	82.2
95.40718	7.0
97.06534	14.6
98.23143	45.5
105.07033	98.1
107.08600	70.5
109.06523	9.6
109.10137	45.3
111.08121	12.5
113.58349	7.9
117.07007	18.1
119.08580	99.8
121.06528	11.4
121.10156	41.1
123.08060	12.3
123.11700	40.9
129.07048	10.3
131.08566	32.4
133.10139	60.4
135.08022	12.6
135.11702	26.9
137.05989	16.1
141.07002	11.0
143.08566	28.7
145.10091	39.9
147.08064	12.8
147.11688	73.4
149.09631	15.4
149.13252	21.0
155.08521	16.0
157.10118	29.0
159.11682	41.1
161.09616	14.1
161.13272	25.6
167.08614	10.3
169.10158	16.9
171.08012	8.7
171.11668	14.2
173.09590	15.0
175.11220	16.1
175.14821	11.0
177.71126	8.7
179.08481	10.5
181.10039	13.3
183.11676	13.4
184.07260	8.0
185.09615	11.0
185.13261	10.7
187.11136	14.9
189.12738	10.1
193.10167	11.9
195.11763	13.9
197.13190	7.9
199.11230	10.0
199.14893	7.8
201.16411	18.2
203.17937	100.0
204.18517	15.7
207.11769	11.7
209.13351	15.9
211.14880	9.2
221.13280	8.2
223.11240	7.3
223.14783	7.2
225.12669	13.1
233.13203	9.3
274.13297	8.3
315.19684	8.0
317.19107	7.1
477.26212	23.1
703.44861	17.9
731.51080	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
53.42926	0.7
55.01889	1.0
55.70263	0.7
58.96523	0.8
65.03947	1.2
69.03407	1.3
69.43890	3.0
69.44299	2.7
70.06601	1.0
78.15764	0.8
79.05497	2.6
81.03416	1.2
85.02905	6.6
91.05479	16.1
93.07040	1.9
94.04185	1.2
95.04980	4.0
97.02902	2.7
102.04691	3.7
103.05463	9.9
105.03413	1.7
105.07027	9.3
107.04935	1.8
109.06530	1.9
115.05460	3.6
117.03397	3.4
117.07048	2.3
119.04945	19.1
121.06509	3.4
122.03660	4.6
123.04454	3.2
124.05241	1.8
127.03926	1.8
130.04146	6.2
131.04932	9.8
133.02840	4.2
133.06517	9.2
135.04417	2.9
137.05974	100.0
138.06300	1.6
145.02834	6.5
145.04988	1.6
145.06506	3.7
147.04404	29.1
149.05988	7.8
150.06773	8.7
151.03838	1.5
151.07483	4.5
152.08281	0.9
153.05482	1.4
159.04475	0.9
160.05122	1.2
161.04939	0.7
161.05989	27.2
162.06754	36.0
163.03824	1.1
163.06305	1.1
163.07538	7.8
165.05505	1.7
173.05962	10.6
175.03917	1.8
175.07513	4.1
177.05450	11.7
178.05991	1.0
179.07050	13.5
179.08517	1.5
180.07591	1.2
186.03125	1.1
187.03934	1.6
189.05487	1.3
191.07024	3.5
191.08572	1.1
193.04958	6.4
194.07330	0.9
195.06552	3.4
201.05455	30.4
203.07043	3.1
204.04138	5.8
205.06479	2.5
206.07361	1.0
207.06491	7.6
211.03624	0.8
219.06491	25.8
220.06952	1.9
222.06755	1.1
231.06566	5.3
233.05919	2.7
233.08049	1.0
234.06630	1.7
237.09091	2.5
247.07559	1.5
249.07330	6.1
250.06224	1.8
251.07016	1.9
264.07870	1.2
265.08630	5.6
267.06470	1.3
277.08481	2.1
283.09683	2.8
292.07089	1.2
293.08105	5.8
294.08759	1.4
297.11194	1.8
305.07999	1.9
307.09695	4.8
309.11157	3.2
310.08423	1.0
311.09119	1.3
311.12683	1.1
316.77814	0.9
323.09122	17.1
324.09393	1.5
325.10660	19.5
326.11017	1.8
337.10724	8.0
343.11761	25.4
343.15848	1.9
344.12195	1.7
355.11765	27.3
356.12161	1.7
373.12717	2.7
396.67224	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.3
51.25142	0.2
51.81160	0.2
53.03938	0.4
55.01884	0.6
57.03428	0.4
61.02931	0.5
65.03938	1.3
69.03429	1.8
69.15323	0.2
69.89590	0.2
71.29182	0.2
73.02929	0.4
77.43082	0.2
78.33959	0.2
79.05492	3.0
81.03428	0.8
82.83995	0.2
85.02904	6.3
89.03893	0.4
91.03954	0.3
91.05476	6.0
93.03417	0.8
95.04950	0.4
97.02892	1.7
103.05473	0.6
105.07027	0.2
107.04959	4.9
108.05286	0.3
109.02881	0.6
109.06480	0.3
111.04447	0.8
115.03944	0.2
115.05480	0.6
117.03399	0.4
119.04943	13.8
120.05271	0.4
121.06483	1.4
122.03659	0.4
123.04457	0.3
125.05988	2.0
127.03907	1.2
131.04924	1.1
133.02850	3.0
133.06560	0.3
135.04410	5.1
137.04974	0.4
137.05975	6.5
143.04951	0.5
145.02837	0.6
145.04938	1.3
145.06558	0.4
147.04407	100.0
148.04744	3.0
149.05997	2.6
150.03140	0.3
150.06706	0.5
151.03922	0.7
151.07521	0.5
153.05437	1.4
158.03618	0.6
159.04329	0.2
160.05199	0.3
161.05984	1.0
162.06636	0.5
163.03978	1.4
163.06061	0.4
163.07549	0.5
165.05493	2.3
167.07045	7.4
168.07399	0.3
171.04375	0.3
173.05959	1.4
175.03893	0.6
175.07512	0.7
177.05449	3.8
178.06236	0.3
179.07031	38.8
180.07329	1.2
180.08693	0.8
189.05443	0.4
191.07068	1.3
193.05043	0.3
195.06522	4.9
201.05452	7.7
202.05792	0.4
203.07039	0.8
205.06563	0.3
207.06569	0.3
219.06494	2.8
221.08035	0.5
231.06532	1.0
233.05869	0.6
234.06720	0.7
237.09172	0.5
249.07303	0.6
250.06120	0.5
262.06375	0.3
265.08661	1.3
277.08575	1.5
281.08011	0.4
282.08755	0.5
285.11444	0.3
292.07266	0.4
293.07959	1.4
296.10361	0.7
297.11121	0.8
305.08084	0.5
307.09534	0.7
309.11096	0.6
310.08212	0.3
323.09058	0.7
325.07135	0.4
325.10724	4.6
326.11105	0.5
337.10577	1.0
341.12494	0.3
343.11853	2.0
344.12027	0.3
355.11807	4.2
356.12039	0.4
373.12875	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.3
56.05035	0.6
57.07081	0.2
58.06635	0.5
59.07374	0.1
60.08163	6.1
67.05508	0.4
67.78918	0.1
69.07077	0.1
71.07369	3.0
76.06422	0.1
77.04223	0.1
79.05497	0.4
81.03441	0.1
81.07068	0.3
83.08627	0.2
86.09703	30.0
87.10040	0.6
89.06028	0.5
91.05483	0.2
91.67374	0.1
93.07059	0.4
95.04932	0.1
95.08598	0.3
98.23389	0.2
98.98466	3.4
104.10741	2.0
105.07020	0.3
107.08604	0.3
109.10151	0.3
119.08601	0.3
121.10155	0.2
124.99999	21.8
133.08629	0.2
133.10118	0.2
135.11685	0.1
143.01038	0.3
143.69089	0.1
145.10139	0.2
147.08029	0.1
157.09941	0.1
171.66304	0.1
184.07336	100.0
185.07703	2.2
195.00314	0.4
220.91756	0.1
283.92026	0.1
311.25983	0.2
341.39294	0.1
468.23596	0.3
561.37311	0.5
714.47296	0.1
732.48077	3.4
733.49445	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.3
57.07077	32.3
59.04996	1.3
67.05505	0.9
69.07069	3.7
71.08636	26.6
71.32033	0.6
71.32430	1.1
73.02926	1.2
73.06561	9.4
75.95541	0.7
81.07070	1.5
83.08607	2.4
83.41963	0.7
85.10186	15.7
86.09700	2.2
87.04465	12.6
89.06033	100.0
90.06393	1.5
91.05498	0.9
93.07054	1.1
95.08595	1.3
95.25572	0.8
97.10200	5.2
99.11735	3.2
105.07025	1.3
105.46008	0.9
107.07067	3.4
111.11732	2.5
113.13286	2.8
117.09126	8.9
124.99991	1.4
127.14826	0.9
130.08650	1.7
131.07030	2.5
133.08603	51.7
134.08916	1.3
135.10161	0.8
137.06036	0.9
137.49629	0.6
143.08664	0.8
145.10138	1.1
161.11792	2.1
169.19484	3.5
173.09543	1.3
175.09680	1.5
177.11235	20.4
184.07362	5.1
203.17812	1.2
205.12218	2.8
213.22192	2.6
221.13824	4.6
223.15388	1.0
239.15234	0.8
257.24677	6.3
265.16345	0.8
283.17499	1.2
301.27341	3.3
327.19885	0.9
591.30133	1.0
693.87421	0.8
715.51575	1.2
733.42145	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
64.42233	0.7
71.32182	1.2
75.82359	0.8
88.13396	0.8
88.51910	0.7
90.56373	0.8
94.38796	1.0
96.37166	0.7
106.65322	0.8
110.14116	0.7
112.28171	0.9
160.98134	0.9
167.06937	0.9
184.07367	1.5
207.03197	0.9
233.09595	0.9
351.12393	3.5
613.20441	100.0
614.20819	12.7
733.22534	74.3
734.23029	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65888	0.3
57.07079	0.2
67.05510	0.4
69.03439	0.3
69.34105	1.9
71.15723	0.3
73.44617	0.2
79.05477	0.3
81.07079	0.4
82.77694	0.3
85.80280	0.3
86.09735	0.5
91.05450	0.3
95.08614	0.5
98.23321	0.3
105.07034	0.8
107.08584	0.5
109.10140	0.5
114.72552	0.3
119.08578	1.0
121.10139	0.4
133.10112	0.5
135.11697	0.3
145.10106	0.3
146.07347	0.3
147.11679	0.5
161.13312	0.4
177.22649	0.3
179.08530	0.6
184.07370	1.4
193.06502	0.3
195.08070	0.6
197.09624	0.4
203.18013	0.3
204.07845	1.0
207.08095	0.8
210.06862	0.5
211.07491	0.4
221.06071	0.9
224.08334	0.8
225.09006	1.3
233.02283	0.3
235.07584	1.0
236.08540	0.3
237.09033	0.3
238.06310	0.9
238.09856	0.4
239.07176	0.5
239.10768	0.8
240.07851	0.5
242.05809	0.4
249.05527	1.1
249.09134	0.4
251.07043	0.5
252.07880	0.9
253.08571	3.0
254.09235	0.4
255.06561	0.6
255.10176	1.0
263.06955	0.3
264.07614	0.5
265.08740	0.6
266.05893	0.7
266.09427	0.4
267.06583	0.8
267.10117	0.8
268.07333	0.6
269.08121	0.8
269.11667	0.3
270.05392	0.3
279.06683	0.4
281.08060	4.2
282.08841	1.3
283.06540	0.5
283.09641	2.3
285.07852	0.4
285.11255	0.9
292.03656	0.3
293.08054	0.4
295.06363	0.3
295.09668	0.7
296.06931	0.4
296.10419	0.5
297.11118	1.3
301.07147	0.5
307.09729	0.4
311.09125	3.2
312.09732	0.6
313.07129	0.6
313.10748	2.6
314.08054	0.3
314.64615	0.3
315.08716	0.7
323.51669	0.3
324.09796	0.4
325.10620	1.4
328.09448	1.1
339.12378	0.6
341.10220	0.9
343.11740	3.5
407.05493	0.5
407.10986	8.5
408.11472	0.8
507.36545	0.4
511.13620	0.6
529.14703	100.0
530.15063	12.4
570.17249	2.9
571.17914	0.3
611.28900	0.4
705.34607	0.6
733.33478	7.5
733.45587	0.4
734.33948	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82434	0.4
53.03949	1.3
55.01871	0.9
55.05507	2.4
57.03458	2.7
57.07074	1.0
61.02640	0.8
61.02932	7.8
64.28067	0.4
67.05508	8.9
69.03433	4.2
69.07074	3.0
69.23761	3.5
71.05000	0.8
72.17907	0.4
73.02917	5.9
79.05499	3.6
81.03423	2.4
81.07061	9.9
81.43047	0.4
83.04984	0.7
83.08640	1.6
83.49358	0.4
85.02898	7.4
85.03366	0.6
87.04487	0.4
91.03958	5.4
91.05463	2.8
93.07049	5.3
95.04985	0.6
95.08618	6.2
97.02900	6.0
97.06557	1.2
97.10178	1.2
99.04492	1.1
101.02378	2.9
103.03934	0.5
105.07045	1.4
106.09116	0.5
107.08601	2.8
109.02902	1.1
109.10163	2.8
119.08598	1.5
121.10148	2.0
123.11730	1.2
127.03940	2.2
133.10162	1.7
135.11710	0.6
145.04965	0.4
145.10213	0.6
147.11684	0.5
149.13290	1.5
159.11772	0.7
163.14767	0.6
175.14905	0.4
184.07338	1.0
203.05411	0.4
203.18047	0.5
207.08066	0.4
225.09850	0.4
235.13065	2.0
242.09006	0.5
243.08519	2.7
253.08708	0.5
281.08054	0.6
287.89145	0.5
311.09329	0.7
337.27557	0.7
376.23621	0.4
453.21017	5.0
480.22345	0.4
521.30890	9.5
522.31366	0.8
529.14752	12.6
530.14862	1.3
579.73096	0.5
713.17395	0.4
733.44952	100.0
734.45319	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02972	1.1
55.01881	2.6
57.03437	1.3
61.02905	1.1
69.03416	6.5
73.02920	2.0
79.05477	1.7
81.03413	2.3
85.02910	11.3
87.04515	1.4
91.05485	8.8
93.07065	2.2
97.02897	5.5
99.04426	1.4
101.15662	1.0
103.05468	5.2
105.07019	5.8
107.04965	5.7
109.02838	1.5
115.03921	1.5
115.05473	4.2
117.03365	1.4
119.04945	9.5
121.06507	13.3
122.03681	3.9
127.03899	5.0
130.04170	1.6
131.04932	7.3
133.02885	3.6
133.06497	5.1
135.04456	3.8
137.05974	67.1
138.06334	2.3
141.06987	1.5
145.02847	3.7
145.04982	4.0
145.06503	1.5
147.04404	12.3
147.08093	1.6
149.05977	30.4
150.06712	3.7
151.03957	2.0
151.07559	5.9
153.05435	3.3
159.04466	1.7
161.05977	100.0
162.06650	6.0
163.07516	9.6
165.06952	2.1
167.07065	2.6
169.06506	1.8
174.86412	1.0
175.07556	13.7
177.05449	8.4
178.91728	1.0
179.07042	30.5
180.07416	1.7
187.07552	1.4
188.04768	2.2
191.07024	10.0
193.06532	3.4
195.06555	7.0
203.07030	77.3
204.07378	2.4
205.08627	2.5
209.06184	1.2
209.08131	2.5
210.06738	1.6
215.07040	3.8
217.08580	1.7
221.05969	9.1
221.08023	44.5
222.06444	1.3
222.08426	2.6
225.09091	6.9
229.08678	2.2
233.05946	1.7
233.08064	13.5
237.09154	1.3
238.06201	1.7
239.10674	1.6
241.08467	1.2
242.00052	1.1
245.08298	2.0
252.07878	1.5
253.08577	14.7
254.09076	1.3
257.08121	3.1
257.59888	1.1
265.08575	3.9
267.10208	6.2
270.08841	1.5
275.09244	3.1
277.08591	3.0
285.11212	34.6
286.11353	1.5
292.07355	1.1
293.10205	2.4
295.09705	3.1
297.11118	10.3
305.10306	1.9
307.09644	2.2
309.11154	4.0
311.11148	5.9
323.11310	5.7
325.10782	5.2
327.09332	0.9
327.12241	45.0
328.12543	2.9
339.12277	5.0
345.13318	45.7
346.13702	1.4
357.13235	7.2
365.12128	1.7
453.15604	1.8
471.16464	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.9
58.68049	0.9
69.01414	8.3
69.01823	2.5
69.03443	2.4
78.21432	1.0
79.05481	3.6
81.03426	1.4
85.02915	5.0
91.05480	13.9
93.07039	3.0
94.04202	3.9
95.04967	3.1
97.02874	1.1
98.23378	1.6
103.05475	12.1
105.07034	7.0
107.04961	9.8
109.06490	2.1
111.78828	0.9
115.05431	4.8
116.06219	1.2
117.07035	3.9
119.04951	9.2
121.06511	5.3
122.03656	5.5
123.04434	3.1
123.08056	1.8
127.03927	1.8
128.06253	2.3
129.06984	6.5
131.04950	14.0
131.08600	2.8
133.02852	4.6
133.06514	4.9
135.08055	4.2
137.05983	100.0
138.06299	3.1
141.06973	1.7
144.05704	1.8
145.04935	1.2
145.06471	2.9
146.07253	2.1
147.04387	5.8
147.08014	2.4
148.05228	1.7
149.05974	7.3
150.06708	1.0
151.03896	4.4
151.07550	28.8
157.06491	3.7
159.08081	2.6
160.05228	3.1
161.05989	44.9
161.09608	9.9
162.06750	5.0
163.03880	1.4
163.07544	35.1
165.05530	2.0
165.06952	2.2
166.07790	1.6
167.07095	2.4
167.08542	2.1
174.06758	6.1
175.07564	22.4
177.05702	5.6
177.09116	75.2
178.09474	2.6
179.07048	4.2
179.08502	1.3
181.06482	3.2
181.08615	2.8
182.07364	1.1
186.06789	1.6
187.07559	7.6
189.09120	25.9
190.07768	2.4
190.09445	2.1
191.07024	2.5
191.08591	4.0
193.06503	3.0
193.08618	2.1
194.07253	2.4
195.08093	5.6
195.10202	6.9
201.09137	4.0
203.06981	3.5
203.08701	1.3
204.07773	2.7
205.06477	2.6
205.08458	1.8
207.08157	2.5
207.10158	26.5
207.11961	2.2
208.10609	1.4
209.09627	2.0
210.06775	2.1
211.07710	2.5
213.09109	1.6
217.08536	1.8
218.07249	2.2
219.08032	8.8
219.10185	32.3
220.10693	2.3
221.06010	2.4
221.09700	2.1
221.11674	9.6
222.06668	4.3
223.07526	3.7
224.08353	1.3
225.09097	5.4
227.07072	1.8
227.10619	2.3
231.08083	1.5
233.06042	1.9
234.06714	1.3
235.07533	2.8
236.08293	1.8
237.09113	6.6
238.06287	1.4
239.07018	2.5
239.10733	1.7
241.08609	2.5
242.09271	1.0
247.07556	4.2
248.08305	3.3
249.09090	4.3
250.06171	1.5
251.06969	3.5
251.10739	4.2
252.07755	2.3
253.08563	9.5
253.12236	1.2
255.06541	2.5
255.10118	1.5
261.09079	3.7
263.07095	1.4
264.08002	2.0
265.08591	15.5
266.09219	2.1
267.10117	6.3
268.07150	1.4
268.11008	1.9
269.08142	2.1
269.11719	1.6
270.08951	3.7
277.08630	8.2
278.09058	1.9
279.10141	7.0
281.08176	1.9
282.08786	1.4
283.09641	4.4
283.13049	1.5
285.11285	7.3
287.12720	2.8
289.08569	3.1
290.09393	1.2
291.10114	2.5
293.11734	3.1
294.08939	2.0
295.09714	4.2
296.10422	3.1
297.11203	22.5
298.11664	2.8
299.12808	4.3
303.08698	2.3
305.11572	1.4
307.09659	1.8
309.11273	11.7
310.11948	2.7
311.09250	2.0
311.12708	12.0
313.14246	4.6
315.12231	3.2
317.13983	1.4
321.11383	6.3
323.12738	4.5
325.10913	1.4
325.14413	4.7
327.12408	2.5
329.10361	2.0
329.13876	21.9
330.14279	2.6
331.15530	6.2
335.12766	1.7
337.14273	4.4
339.12378	5.6
340.12918	4.0
341.13867	10.6
343.15402	2.7
344.16257	1.1
349.14401	2.0
351.15933	1.4
353.13757	2.3
355.15390	18.7
356.15753	2.4
367.15469	10.5
385.16760	1.2
461.19586	4.9
475.21118	2.4
479.20630	10.9
491.20752	7.0
493.22141	1.4
503.20731	1.5
509.21683	7.8
510.21802	2.0
521.21747	2.1
524.29510	1.3
539.23334	2.2
591.87744	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.9
55.01874	10.7
55.05511	31.3
57.03439	21.9
57.07074	1.5
59.05001	3.9
59.66057	1.3
60.05644	3.7
61.02926	3.6
65.03938	3.0
67.05505	54.4
69.03428	10.3
69.07072	12.3
71.05000	10.1
71.30232	1.5
73.02902	1.5
73.78972	1.4
79.05489	53.9
80.05800	1.6
81.03415	95.0
81.07059	60.5
82.03772	2.4
83.01350	5.0
83.04980	25.3
83.08620	28.5
85.02900	19.5
85.06554	4.5
86.09703	2.3
91.05480	51.1
92.05817	1.9
93.07043	44.8
95.04966	37.6
95.05548	2.2
95.08604	24.7
95.09172	2.5
97.02887	10.7
97.06518	8.5
97.10162	12.2
99.04469	4.2
99.08115	2.8
103.05469	2.8
105.07030	38.1
107.04955	21.7
107.08584	20.8
109.02846	6.7
109.06512	11.4
109.10147	20.4
111.04424	12.1
111.08079	11.1
113.06011	1.7
115.03892	1.9
115.05496	3.1
117.07030	16.2
119.04965	2.9
119.08584	32.1
120.08907	1.6
121.06496	9.8
121.10145	18.9
121.14867	1.2
123.04457	2.1
123.08082	11.1
123.11713	1.7
124.43227	1.8
125.05958	1.5
125.09618	8.8
127.03935	3.7
128.06259	2.0
129.05492	2.9
129.07019	18.8
130.07819	1.9
131.04944	6.0
131.08557	19.6
133.06497	4.3
133.10138	13.9
135.08051	3.8
135.11707	12.5
137.06038	2.0
137.09636	5.9
141.07007	1.6
142.07809	4.0
143.08566	4.0
145.06479	4.8
145.10107	16.4
147.07043	1.4
147.07985	7.8
147.11682	16.8
149.06012	2.0
149.09618	9.4
149.13249	1.8
151.11182	2.6
153.12743	4.0
155.08563	2.2
157.10144	17.7
159.08101	2.2
159.11697	3.8
161.06075	1.6
161.09608	2.7
161.98326	1.5
163.11192	19.3
165.09152	1.8
165.12704	3.3
171.11714	2.1
173.09604	3.1
173.11800	4.1
175.11174	11.1
181.12256	4.0
183.11543	1.5
184.07285	7.0
189.09210	1.6
189.11237	4.1
191.10681	6.6
193.12245	31.6
194.12419	1.9
205.12335	2.5
207.13760	2.6
209.11707	8.7
211.13261	28.5
211.15123	1.8
219.13712	1.7
223.13234	8.4
224.94714	1.3
227.12727	11.5
229.14320	26.9
243.13866	1.9
247.13354	3.0
249.14888	2.7
253.72545	1.4
264.97391	1.4
265.14392	4.7
267.15891	37.7
268.16254	3.8
273.14941	1.8
273.18411	5.5
279.16113	1.9
281.17535	4.2
283.15366	21.9
285.16852	12.8
286.17038	1.8
291.19604	11.5
297.17020	7.6
317.17703	2.0
318.51184	1.6
329.20929	2.1
342.05450	1.7
353.16031	2.4
355.17615	2.1
365.23276	3.3
383.22235	4.6
399.22186	1.7
403.24753	3.9
411.20032	3.1
421.25800	17.8
422.26212	2.2
427.19537	5.6
429.21143	6.0
457.25751	5.2
461.28833	2.0
471.27585	4.5
475.26917	18.1
489.28537	16.7
490.29053	1.9
493.27942	100.0
494.28500	11.1
507.29459	4.7
557.34589	3.5
575.35785	1.8
637.32172	16.2
638.32196	3.2
719.40112	3.4
737.37268	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01881	2.0
55.05501	5.9
57.07064	3.6
58.00183	1.4
59.11942	1.7
67.05512	11.2
69.03433	3.1
69.07066	5.1
70.88433	1.5
70.88875	1.6
71.29657	1.8
71.30043	3.6
79.05492	6.6
81.03425	4.7
81.07059	12.1
83.04989	11.1
85.06549	2.7
85.10103	1.9
88.78514	1.7
91.05500	10.6
93.07054	16.9
94.89613	1.7
95.04960	4.3
95.08603	20.8
97.06544	2.2
105.07039	12.2
107.08587	10.8
109.06506	13.6
109.10167	8.3
111.04462	8.8
111.08099	8.6
115.05458	2.6
117.07042	4.6
119.08584	14.9
121.06515	3.2
121.10135	7.3
123.11701	2.8
124.03027	1.8
126.08293	2.0
127.07529	2.6
128.06197	3.8
129.06937	3.0
131.08586	11.3
133.10149	15.3
135.08047	12.8
135.11662	5.5
137.09619	2.8
139.07570	3.5
141.07030	2.1
142.07739	4.6
143.08554	7.8
145.06459	2.7
145.10172	9.4
147.08043	5.8
147.11699	6.2
149.09688	3.5
155.08553	5.2
156.09309	2.0
157.10141	12.2
159.08095	9.2
159.11664	6.0
161.09598	10.0
165.06940	2.1
168.09349	3.1
169.10129	7.8
170.10933	2.3
171.08051	3.8
171.11664	11.5
173.09660	6.1
173.13187	2.1
175.11179	1.9
179.08502	2.8
181.10117	5.8
183.08090	3.0
183.11761	10.9
183.13097	1.9
185.09592	14.9
185.13301	3.2
187.11185	6.6
193.10130	8.6
194.10829	3.0
195.11681	11.4
196.12350	2.5
197.09642	4.5
197.13275	9.0
199.11220	9.0
199.14903	4.7
200.11926	3.9
201.16385	2.2
206.10942	5.1
207.11690	11.6
208.12508	3.3
209.09616	2.9
209.13228	7.5
211.11281	8.4
211.14809	4.5
212.11873	3.1
213.12767	6.6
217.10210	4.1
217.12253	2.5
219.11696	9.5
221.13269	9.6
223.11198	4.0
223.14789	5.9
225.12752	12.0
225.16194	2.0
226.13522	9.7
227.14261	7.7
231.11803	4.3
232.12372	3.2
233.13240	5.6
234.14008	3.8
235.14796	7.0
237.12750	3.8
239.14272	3.6
243.13812	2.7
245.13205	4.4
245.15450	3.7
246.14003	2.1
247.14757	9.5
249.12607	2.2
249.16385	2.4
251.14299	3.0
253.15886	3.7
257.13123	2.4
258.14014	3.4
259.14786	5.0
260.15454	3.7
261.12650	2.8
261.16281	9.2
263.17932	3.5
265.12354	2.6
271.14700	2.8
275.14285	1.9
275.17862	3.9
277.19519	3.4
279.13644	2.7
279.17322	4.4
287.14447	3.4
287.18033	5.5
289.12723	2.2
289.15897	6.2
289.19449	6.6
290.75238	1.9
295.16940	3.4
299.16882	2.0
301.19620	3.0
303.17487	3.3
303.20874	2.5
305.18912	4.5
307.17072	9.8
315.17078	2.4
316.21710	2.1
319.16922	2.2
321.18445	4.8
322.19388	2.0
323.20151	5.2
325.17969	100.0
326.18436	9.1
329.19070	3.6
331.20386	2.2
335.20016	5.8
343.19025	21.7
344.21103	2.1
347.20010	5.2
349.21597	2.6
350.22327	6.1
361.21625	3.2
362.22284	4.6
401.24637	5.8
415.26358	5.2
417.27722	8.2
419.25943	3.6
421.23807	2.8
425.24792	5.5
433.27322	4.1
443.20297	3.0
443.25793	27.0
444.26224	3.7
461.26852	98.7
462.27182	9.1
476.26712	1.9
479.27872	34.2
481.39316	2.7
539.42407	2.0
595.46448	2.2
611.46191	2.2
737.42285	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01868	0.9
55.05507	1.3
57.03431	2.5
61.02931	2.5
61.94067	0.4
64.32508	0.5
67.05505	5.0
69.03433	10.1
69.07063	1.8
71.04993	4.9
73.02908	2.1
73.37906	0.5
73.98719	0.7
78.12061	0.5
79.05502	3.3
81.03416	13.4
81.07051	6.9
83.04971	1.4
83.08601	0.9
85.02902	71.7
86.03255	0.7
87.04482	0.7
91.05465	3.2
93.07038	6.1
95.04958	1.3
95.08600	9.3
97.02888	21.1
97.06497	0.7
98.23356	1.4
99.04453	44.7
100.04799	0.7
103.03938	100.0
104.04298	1.7
105.07018	4.2
107.08598	4.9
109.02877	14.9
109.06503	0.5
109.10152	5.2
111.08091	0.5
113.05987	0.7
115.03944	0.9
117.07053	0.5
119.08561	4.2
121.06511	1.1
121.10144	4.4
123.08077	1.3
123.11690	2.3
125.09666	0.7
127.03912	94.7
128.04240	3.1
129.06961	0.7
131.08504	1.2
133.10115	5.0
135.11717	2.7
143.08594	0.9
145.04953	62.5
145.10115	1.8
146.05319	1.2
147.11667	3.0
149.13272	1.5
151.11168	1.1
157.10144	0.9
159.11684	1.9
161.09592	1.1
161.13239	3.5
163.06010	41.5
173.13226	1.1
175.11214	0.8
175.14824	0.9
187.06013	5.3
189.16339	0.7
191.14272	0.9
199.06099	0.6
199.14708	0.9
205.07086	4.5
209.15347	0.6
216.44992	0.6
221.15274	1.2
227.17987	0.5
229.04935	0.6
235.16846	2.7
253.07106	1.0
271.08099	5.2
275.19989	0.7
289.09097	3.9
289.21405	0.7
303.23166	0.6
307.10245	5.9
329.80417	0.5
357.27679	1.1
377.28433	0.6
385.31049	3.0
395.29495	4.1
413.30426	5.6
414.30386	1.0
431.26184	0.6
431.31567	9.8
432.31668	0.9
553.08148	0.6
726.06580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.1
57.07074	0.5
59.68327	0.4
60.97588	0.4
67.05513	2.6
69.07071	0.7
69.24883	3.0
76.97637	0.4
79.05499	2.7
81.07045	2.8
83.04967	0.9
86.09717	0.7
87.10058	0.4
91.05493	2.2
93.07044	2.6
95.04992	0.7
95.08083	0.6
95.08574	2.7
98.23151	1.5
105.07034	2.9
107.08609	2.0
109.10165	1.1
117.07012	0.5
119.08591	1.8
121.10160	0.7
124.99989	0.6
131.08577	0.7
133.10173	0.6
143.08612	0.5
145.10159	0.9
147.11723	1.8
155.08522	0.6
159.11775	0.5
161.13383	0.6
171.11737	1.2
184.07336	2.4
207.13857	1.0
281.17627	1.8
335.25613	2.3
365.17715	0.5
401.10837	0.5
541.38843	3.9
609.27460	0.7
637.03296	0.5
677.32373	0.6
737.41858	100.0
738.42230	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
55.01874	9.5
55.05512	34.8
57.03438	18.9
57.07066	3.1
59.04997	25.6
61.02917	5.0
65.03935	4.1
65.28130	1.6
67.05505	93.3
68.05811	1.7
69.03420	6.5
69.07072	10.6
70.07426	1.4
71.01358	2.3
71.04988	12.2
71.29079	1.8
73.02909	3.5
79.05491	37.8
81.03417	28.1
81.07056	40.7
82.07389	1.7
83.01339	4.5
83.04987	15.4
83.08620	20.4
85.02905	13.7
85.05230	1.4
85.06542	5.1
87.04471	38.0
91.03934	1.6
91.05473	23.1
92.05812	2.3
93.07040	44.8
95.04977	15.0
95.08608	30.3
97.02882	7.4
97.06548	6.6
97.10192	13.5
99.04462	14.9
99.08081	2.2
103.05459	1.7
105.07018	17.4
107.04970	13.3
107.08592	29.0
109.06527	9.5
109.10156	63.7
110.10497	1.5
111.04428	5.6
111.08085	5.4
115.05458	2.2
117.07014	10.5
119.08594	16.1
121.06513	6.5
121.10136	15.3
123.08065	6.4
125.05998	4.3
125.09628	8.9
129.06999	2.8
130.07787	1.8
131.08549	6.7
133.10123	6.0
135.08102	3.2
135.11681	30.2
137.09604	5.7
143.08528	2.1
145.06448	1.6
145.10110	27.1
146.10347	1.8
147.08038	3.5
147.11646	3.1
149.09665	2.5
153.12724	3.7
155.10680	4.3
157.10095	3.1
163.11183	47.4
164.11481	3.1
173.04593	2.0
173.09564	3.8
173.11722	25.0
175.11084	3.0
181.12274	10.1
184.07283	2.7
187.18855	1.4
189.11301	1.7
191.10661	3.3
193.12233	6.0
199.13283	7.8
209.11783	9.7
211.13255	5.0
223.13110	1.5
227.12782	62.7
228.13243	2.8
229.14351	78.0
230.14679	4.3
241.14389	3.3
256.14651	1.4
265.14322	2.2
267.15921	11.8
283.15390	75.8
284.15848	5.4
285.16940	5.6
311.14746	4.7
315.17999	9.1
399.61795	1.5
425.25208	5.0
425.60904	1.6
437.25348	100.0
438.25751	10.1
459.27411	6.0
461.28204	1.7
477.28275	3.8
509.27603	6.1
523.29071	1.8
541.30060	5.0
738.37769	2.5
739.38245	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	1.7
53.03947	3.6
54.42879	1.0
55.01868	4.5
55.05511	19.6
57.03439	17.7
59.04995	3.1
61.02937	1.3
65.03921	1.4
67.05504	24.2
69.03441	5.3
69.07070	7.0
71.01358	1.4
71.05001	3.3
79.05494	22.5
81.03416	86.5
81.07058	25.7
82.03719	1.2
82.07379	1.1
83.04991	10.2
83.08615	28.0
83.09114	1.8
85.02897	4.1
85.06545	2.1
91.03985	1.2
91.05480	35.9
93.07043	25.7
95.04969	24.2
95.08607	10.1
97.02886	8.1
97.06541	5.5
97.07072	0.9
97.10163	7.7
98.23318	1.8
99.00825	12.0
99.04461	1.7
105.03410	1.2
105.07025	24.9
107.04957	13.2
107.08585	12.4
109.02867	11.7
109.06506	7.5
109.10138	6.4
111.04429	7.9
111.08092	9.0
115.03960	2.4
115.05484	1.9
117.06998	5.1
119.04931	1.9
119.08583	24.6
121.06509	12.7
121.10142	9.8
123.04417	3.4
123.08044	5.3
123.11689	2.3
125.09653	7.4
127.03920	1.9
128.06203	2.2
129.07022	8.7
131.08566	11.5
133.06505	4.6
133.10133	31.0
135.04419	1.5
135.08055	2.9
135.11691	4.4
137.06065	1.4
137.09666	1.5
139.07581	2.8
142.07797	2.0
143.08563	5.6
145.06467	1.6
145.10129	4.7
147.08044	6.3
147.11673	8.4
149.09642	5.9
151.11148	8.4
157.10115	7.6
161.09624	16.9
163.11197	4.4
165.12827	1.7
166.57169	1.1
171.08003	5.5
175.07692	1.2
175.11194	10.5
179.10652	8.1
181.12254	1.9
189.09123	8.9
189.11162	2.7
191.10689	1.1
193.12242	24.5
197.11703	1.9
207.10146	2.2
209.11737	4.6
211.13295	6.5
219.13811	9.9
223.13257	1.3
225.11157	9.0
226.11513	1.4
227.12784	3.5
241.14381	2.1
243.12196	1.4
249.14822	2.1
255.13939	1.2
263.13037	1.2
267.15906	100.0
268.16315	7.3
273.14728	1.2
281.13818	6.2
283.15411	12.2
285.16968	7.0
299.14883	75.3
300.15234	4.7
301.16629	1.4
353.21118	1.1
359.68198	1.0
367.22757	2.4
385.23871	3.6
389.23303	1.7
392.26675	1.1
399.21094	1.2
403.24619	1.3
417.22705	2.6
437.25348	1.2
441.26501	1.3
445.25867	11.8
459.27368	16.2
460.27414	1.1
463.27036	7.1
473.25287	26.0
474.25568	2.9
477.28445	13.4
478.28702	1.6
491.26328	94.2
492.26694	10.6
509.27405	8.3
533.27551	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59382	1.5
53.03934	7.7
55.05514	16.5
57.03427	6.4
57.07076	1.5
65.03929	2.5
65.20448	1.5
67.05506	54.6
69.07074	10.7
69.91335	3.9
69.91740	4.7
71.04993	2.6
77.52235	1.5
79.05494	57.6
81.03418	5.4
81.07056	49.7
83.04992	9.7
83.08616	6.4
85.06545	3.6
91.05481	42.8
92.32577	1.4
93.07045	61.7
95.04963	9.5
95.08616	28.8
97.06500	3.7
97.10141	2.3
98.22721	1.5
103.05430	2.2
105.04518	1.5
105.07034	30.0
105.47536	1.4
107.04987	3.7
107.08601	20.0
109.06525	4.3
109.10156	9.2
117.06997	9.5
118.14561	1.6
119.08576	17.5
121.10163	9.6
123.08087	3.2
123.11736	2.9
129.06992	10.6
131.08594	7.1
133.10144	9.4
135.11694	7.4
143.08597	6.4
145.10123	9.9
147.11687	19.6
149.13243	2.4
159.11737	3.4
161.13229	8.7
171.11708	12.8
173.13287	3.2
184.07404	7.6
189.12738	5.6
193.47438	1.5
207.13799	18.7
261.22116	4.2
281.17477	52.2
282.17615	3.4
287.58676	1.7
335.25812	45.4
336.26062	4.3
518.25470	2.1
541.38904	100.0
542.39172	14.6
738.44318	10.1
739.43890	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.9
57.07074	0.2
58.06633	0.5
60.08164	5.9
61.78008	0.1
62.96047	0.1
67.05496	0.1
69.18752	0.1
69.19069	0.9
70.06572	0.1
71.06980	0.2
71.07373	3.8
71.08643	0.2
74.79665	0.1
79.05488	0.1
81.03405	0.4
81.07063	0.2
83.08611	0.1
86.09705	29.8
87.10040	0.4
90.59872	0.1
93.07037	0.1
95.08584	0.2
98.98464	3.4
104.10735	2.1
109.10182	0.1
125.00002	20.3
126.00294	0.2
143.01077	0.1
179.06715	0.1
183.62648	0.1
184.07339	100.0
185.07726	1.6
267.15961	0.2
313.27319	0.2
326.52960	0.1
443.08231	0.1
505.38730	0.2
668.36182	0.1
688.45435	5.7
689.45593	0.9
707.46448	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
54.69133	0.5
55.01869	1.0
55.94461	0.5
57.03427	1.4
57.13824	0.4
61.02930	0.7
65.03937	1.5
67.05502	2.4
68.99483	0.4
68.99780	2.3
69.03429	9.1
71.04993	0.5
77.03941	0.7
79.05474	0.8
81.03407	2.7
83.04987	0.6
85.02902	13.9
91.05470	1.8
95.04959	4.0
97.02885	7.2
97.06532	0.5
98.22524	1.0
99.04440	0.6
105.03416	0.8
105.06982	0.5
107.04939	4.4
109.02872	1.5
111.04443	4.4
115.05468	0.6
119.04950	6.8
123.04427	91.0
124.04763	2.8
124.41724	0.5
125.06001	2.3
127.03902	2.8
128.11067	0.4
131.05025	0.5
135.04436	4.2
137.02338	0.5
137.06015	0.9
139.03896	36.9
140.04230	0.9
143.04903	0.8
145.04987	0.6
147.04402	23.8
148.04747	0.9
151.03899	51.1
152.04248	1.7
153.01843	0.6
153.05457	12.6
159.04468	0.4
161.05991	2.4
163.03899	13.7
165.05467	18.2
171.04401	4.4
173.05917	0.6
175.03885	1.1
177.05460	0.9
179.03423	1.0
181.04950	81.0
182.05283	2.9
187.03740	0.7
189.05467	9.3
191.03435	0.8
191.05098	0.5
199.03911	7.4
201.05476	1.4
203.03392	1.4
205.04973	0.9
211.04085	0.7
213.05461	1.2
215.03381	2.5
217.04948	15.6
218.05174	0.6
227.01273	0.9
227.03397	10.2
227.72903	0.6
228.03889	1.0
229.04922	4.8
231.02771	0.5
239.03430	2.1
241.04950	1.8
243.02881	2.5
245.04442	100.0
246.04808	6.0
247.06068	1.6
257.04459	6.1
258.05261	0.7
259.05963	1.2
269.04535	2.7
271.05988	0.7
275.05371	0.8
281.04526	0.9
287.05450	7.1
299.05353	1.0
351.04849	0.9
370.99878	0.5
379.08130	9.1
380.08463	0.7
395.07462	1.8
397.09155	33.0
398.09396	3.8
407.07520	2.1
408.07663	0.5
409.09177	2.0
425.08673	17.6
426.08673	1.1
433.09030	0.7
451.10147	0.5
559.12567	1.2
577.13348	25.1
578.13531	3.8
587.13434	1.8
739.18011	2.7
740.19250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1869
Annotation	3-O-beta-D-Galactopyranosyl-ent-epicatechin-(2alpha->7,4alpha->8)-epicatechin
Peak:m/z	Relative Intensity
52.73943	0.4
53.03917	0.8
55.01841	1.3
57.03405	1.5
59.04963	0.4
61.02895	1.8
64.81480	0.4
65.03934	0.6
67.05467	1.5
68.99757	1.7
69.03432	8.7
70.11668	0.9
70.12016	1.1
71.04970	0.6
73.02876	1.3
73.79604	0.4
77.03918	0.6
77.52474	0.4
79.05484	0.7
81.03416	2.6
85.02908	12.1
87.04425	0.8
91.05470	1.3
95.04982	2.6
97.02380	0.5
97.02891	6.1
99.04440	0.7
105.03375	0.5
105.07014	1.0
107.04977	2.7
109.02843	1.5
111.00755	0.5
111.04430	2.5
111.05060	0.5
115.05417	1.2
119.04959	3.2
121.02853	0.6
123.04428	49.6
124.04737	1.2
125.05949	2.0
127.03911	2.4
131.04953	0.4
133.02841	0.5
134.03598	0.5
135.04376	2.0
137.05968	1.0
139.03897	14.0
140.04239	0.6
145.04904	0.8
147.04407	10.2
151.03902	47.6
152.04213	1.3
153.05463	9.2
161.03477	0.9
161.06017	2.2
163.03905	11.1
165.05473	7.7
166.05888	0.5
171.04420	2.2
173.05971	0.7
175.03860	1.4
177.05469	0.7
179.03366	3.8
181.04953	53.1
182.05276	2.2
185.05882	0.5
187.03902	0.8
189.03844	0.8
189.05470	14.3
191.03331	0.6
197.05948	0.7
199.03903	6.8
201.05435	2.0
203.03336	1.2
205.04926	1.4
209.21040	0.5
213.05432	1.7
215.03383	4.6
216.03978	0.7
217.04950	23.5
218.05222	1.3
223.06032	0.7
227.03371	7.4
228.03883	1.1
229.04945	6.4
230.05603	0.9
231.02927	0.6
239.03339	0.9
241.04993	3.9
243.02849	2.8
245.04449	100.0
246.04787	4.9
247.06009	1.1
247.42517	0.5
257.04446	10.5
258.05048	1.3
262.37341	0.5
269.04446	1.9
275.05380	0.7
281.04559	1.0
287.05478	2.4
333.07440	0.6
337.06741	0.7
347.05426	0.6
351.08737	0.7
361.06940	3.0
363.08575	0.9
379.08014	3.9
380.08578	0.6
391.46478	0.5
397.09177	10.6
398.09387	0.8
407.07605	2.0
425.08655	66.6
426.08972	5.3
427.10199	1.3
467.09680	0.8
559.12488	1.3
577.13367	15.5
578.13641	2.1
587.13904	21.0
588.14746	2.4
739.18597	40.2
740.18658	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.05513	10.6
57.03428	0.7
60.53833	0.5
61.02921	1.1
65.03952	0.6
67.04925	0.5
67.05505	1.1
69.03432	1.8
69.39670	0.6
71.04994	1.6
83.04982	79.5
84.05324	1.9
85.02904	28.4
97.02874	0.6
101.99603	0.5
109.02917	0.6
111.04443	52.6
112.04801	1.0
121.02852	0.8
127.03923	2.5
129.05495	7.9
129.50832	0.5
137.02319	0.7
139.03905	2.6
153.01822	5.7
153.05473	4.2
165.01843	2.4
171.06528	31.2
172.06860	1.2
181.04941	1.9
201.05446	0.9
213.05432	0.8
229.04935	1.7
230.05893	0.5
231.06543	1.1
231.08594	5.1
241.04819	0.5
243.02859	0.6
244.03725	1.6
245.04411	0.5
257.04510	1.0
258.05286	4.9
259.06027	2.6
261.03995	0.6
269.04468	1.4
283.02258	0.6
285.03894	1.2
286.04703	4.5
287.05490	7.9
288.05807	1.1
289.03427	0.8
291.08694	1.6
297.04010	0.7
297.89987	0.6
303.04846	2.5
313.03571	0.6
314.04404	1.1
315.04971	3.1
331.04434	3.9
332.05215	2.2
347.07617	100.0
348.08005	6.8
449.10999	0.5
495.05545	0.6
510.83963	0.6
560.81647	0.6
594.64148	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.314
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23894	0.6
70.46595	1.1
89.06052	1.0
91.21223	0.6
94.94513	0.5
99.21340	0.6
99.60563	0.6
111.04455	0.6
123.04451	1.7
130.10637	0.6
137.05960	3.6
138.06339	0.6
139.03906	1.2
147.04456	0.7
151.03879	1.1
161.87369	0.5
163.03929	1.1
179.06865	0.6
181.05043	0.9
201.87102	0.6
205.13222	0.7
245.04411	1.1
249.11049	2.5
271.07959	1.5
341.12344	1.2
411.16302	2.9
412.16544	0.6
429.57288	0.6
513.24469	0.9
537.23254	0.9
541.24243	4.4
542.24945	0.7
559.25116	28.3
560.25592	4.1
577.26257	7.0
583.24945	1.7
595.23718	2.4
601.26093	4.2
617.26434	0.8
635.26227	0.9
658.45746	0.7
675.29706	0.7
693.30878	1.6
703.29388	4.2
704.29755	0.9
721.30371	100.0
722.30597	14.2
739.31470	57.1
740.31836	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	11.0
55.01868	6.3
55.05514	16.0
57.03444	2.8
57.07075	3.1
59.05009	1.8
60.47286	1.1
61.42981	1.1
65.03941	5.4
67.05505	39.3
67.56912	1.4
69.03431	20.8
69.07069	15.1
69.82453	6.0
71.05004	6.9
79.05492	28.4
81.02930	1.5
81.03417	37.9
81.07061	53.4
83.04983	14.3
83.08604	6.8
85.02902	34.3
85.06548	3.2
87.04462	1.4
91.05482	31.9
93.07043	55.9
94.07352	1.6
95.04975	26.1
95.08607	100.0
96.05283	1.3
96.08949	3.1
97.02893	61.7
97.06541	10.4
97.10168	5.1
99.04454	64.0
103.03946	31.9
103.05476	3.7
105.04529	1.3
105.07027	55.9
107.04951	7.9
107.08598	52.7
109.02879	44.2
109.06499	9.8
109.10155	36.8
111.04438	7.3
111.08082	5.9
113.05962	6.6
115.03911	4.2
115.05430	2.8
116.06290	1.6
117.07046	13.3
119.04928	1.3
119.08580	64.8
120.08928	2.4
121.06515	13.0
121.10145	38.2
122.10542	1.9
123.04424	4.5
123.08068	17.4
123.11709	17.4
125.06001	3.8
125.09633	6.7
127.03915	87.9
128.04208	1.7
128.06178	6.8
129.06990	11.2
130.07808	3.9
131.08575	29.8
133.06490	6.7
133.10133	45.0
134.10532	1.4
135.08087	10.9
135.11699	24.6
137.06032	2.1
137.09615	3.9
137.13251	2.3
139.07545	5.5
139.11131	1.6
141.07005	5.4
141.09103	7.5
142.07796	5.6
143.08563	24.6
144.09325	2.2
145.04942	13.4
145.06479	4.7
145.10120	36.6
147.08057	13.7
147.11681	27.4
149.05963	4.1
149.09654	6.8
149.13239	8.6
151.07564	5.4
153.07030	3.1
153.09059	2.6
154.07826	2.2
155.08578	12.2
156.09300	5.4
157.06548	2.4
157.10139	29.7
158.07263	1.8
158.10686	2.3
159.08073	12.2
159.11694	36.3
161.09630	13.5
161.13261	33.5
163.07538	4.3
163.11168	4.7
163.14816	3.9
165.06894	3.2
165.09102	3.7
166.07852	1.6
167.07286	1.6
167.08598	5.4
167.10664	2.0
168.09392	4.3
169.10132	18.3
170.10878	4.3
171.08107	7.1
171.11697	23.7
172.08894	1.8
173.09645	12.0
173.13257	24.9
175.07616	3.7
175.11179	11.7
175.14842	14.0
177.09142	6.0
177.12769	2.9
177.16391	3.7
178.07747	2.3
179.08586	4.0
179.10600	2.9
180.09329	2.6
181.06487	1.9
181.08696	1.9
181.10092	8.6
181.12263	2.2
182.10898	5.1
183.08090	3.5
183.11684	20.6
184.12349	1.7
185.09599	11.2
185.13255	16.5
186.13791	1.5
187.07687	1.8
187.11205	8.1
187.14774	8.6
189.09093	1.8
189.12743	5.0
189.16400	10.6
191.06998	1.5
191.10692	5.2
191.14354	1.8
191.18063	1.4
192.09340	2.8
193.08682	1.7
193.10202	6.6
193.12257	3.8
194.10896	3.2
195.08122	2.4
195.11653	14.0
196.12244	2.2
197.09669	6.3
197.13237	15.3
198.13904	1.8
199.11241	8.7
199.14815	12.1
201.12775	8.4
201.16432	7.0
203.10703	3.3
203.14354	7.5
203.18004	3.0
204.09317	1.5
205.10335	3.1
205.12299	3.7
206.10867	2.3
207.11711	9.0
207.13553	2.2
208.12421	2.8
209.09666	4.0
209.13368	9.7
211.05997	1.6
211.11244	8.7
211.14827	8.2
213.12823	7.6
213.16283	6.7
215.10696	3.5
215.14294	11.7
215.17967	2.9
217.10339	2.2
217.12321	4.2
217.15936	9.8
219.11678	4.9
219.13834	6.2
220.12498	2.5
221.09586	1.8
221.13260	8.0
221.15398	8.7
223.11264	6.8
223.14842	7.1
225.12831	6.2
225.16435	4.5
227.10745	3.1
227.14275	5.3
227.17993	2.3
229.12245	4.8
229.15857	6.5
231.11699	3.4
231.13867	5.0
231.17310	2.4
232.12331	1.7
233.13231	5.2
233.15402	16.0
235.11157	1.8
235.14784	5.6
235.16960	15.1
237.12750	5.2
237.16345	3.0
239.14365	4.6
239.17993	3.4
241.12280	4.8
241.15869	3.5
243.13823	3.8
243.17720	1.7
245.13289	3.2
245.15442	5.1
246.14014	1.4
247.11125	2.9
247.14723	4.4
247.16985	7.9
249.12721	4.4
249.16376	3.6
249.18643	2.6
251.14342	4.6
251.17995	2.3
253.12303	2.1
253.15848	4.4
255.13860	2.7
257.15414	3.5
259.14645	2.4
259.17010	3.1
261.18683	2.4
263.14322	4.7
263.17905	2.2
265.15967	3.4
267.17505	2.7
269.15442	2.3
269.18906	1.5
271.08194	3.9
271.17078	2.4
273.18649	2.5
275.14319	1.9
275.20135	4.2
277.15955	2.3
279.13986	1.9
279.17902	1.7
281.15601	1.9
281.19046	2.3
283.16919	3.0
285.18704	3.2
289.16046	2.2
291.17288	2.8
293.15549	2.2
293.18939	2.0
295.16895	2.5
297.18671	2.2
299.16617	1.8
299.20129	1.4
303.17404	1.7
305.15451	1.9
307.17157	3.0
307.20709	2.7
309.15054	1.5
309.18527	2.8
309.21967	1.7
311.16614	2.1
311.20215	1.9
313.21619	3.5
317.19006	1.4
319.16898	1.9
321.18506	2.4
323.16537	2.4
323.23560	1.8
325.17981	4.6
327.23221	4.4
341.17484	1.7
341.24716	2.2
343.19095	2.2
353.24866	2.2
355.26370	2.1
389.24719	2.2
399.01517	1.4
405.31735	2.5
415.29819	5.6
423.32574	3.8
431.29861	2.9
433.31049	13.0
434.31210	1.7
449.30588	2.7
451.32166	11.1
453.30136	2.2
461.30640	2.2
467.31564	3.9
468.32092	2.4
469.33163	12.0
479.31512	5.3
481.32938	1.9
491.31506	5.0
495.32025	3.0
497.32617	3.2
505.32465	3.3
513.33551	3.8
517.32880	2.1
523.32330	8.1
531.35016	1.9
535.34009	2.2
541.33331	12.9
542.33344	1.7
559.34167	36.6
560.34460	5.1
577.26111	1.4
577.35205	26.7
578.35693	3.6
595.36615	8.5
596.36487	1.7
637.36902	1.6
657.38275	1.6
677.39783	1.7
685.36835	3.5
703.38818	8.1
721.39423	16.5
722.39410	2.7
739.40295	31.1
740.40448	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.4
53.03947	2.5
55.01862	1.9
55.05505	3.2
61.70691	0.8
65.03934	7.2
67.05502	18.4
68.99794	1.5
69.03428	17.4
71.01357	3.5
71.29287	1.3
77.03957	1.0
83.01341	1.3
83.04480	1.7
83.04980	38.5
85.02907	11.8
87.00802	2.3
89.03916	3.7
93.03404	12.9
95.04967	42.4
95.28304	0.8
96.05313	0.8
97.02901	1.6
99.00813	55.3
100.01178	1.2
101.06023	1.5
107.04934	1.6
109.02879	1.3
111.04441	57.6
112.04781	1.0
117.01855	10.3
117.03371	9.8
121.02847	7.6
123.04420	13.1
127.03909	3.2
129.05482	25.5
134.03650	1.4
135.04413	10.8
137.02382	2.1
137.05930	4.5
139.03893	24.1
145.02847	22.2
147.04402	2.8
147.06509	5.5
149.05988	5.6
151.03917	2.3
153.07004	3.1
157.04959	15.1
161.05980	1.6
162.03204	0.9
163.03899	32.0
164.04283	1.5
172.05273	0.9
175.03738	0.8
175.06018	2.5
177.05467	43.5
178.05843	2.6
181.06456	7.0
187.03999	2.0
189.05495	1.9
199.07561	3.2
201.05482	0.9
203.03429	1.4
204.23608	0.8
204.59074	0.9
205.06512	6.3
209.04396	2.1
209.06122	1.8
217.05046	4.0
217.07059	1.0
222.06754	1.6
223.07561	4.4
227.05321	6.9
233.06021	6.3
234.06656	1.8
237.09067	1.6
237.15842	0.8
245.06573	5.1
247.05920	1.6
250.06200	5.5
251.07033	17.9
252.07518	2.6
255.05009	1.6
257.04434	1.1
258.08893	2.0
259.09634	11.6
260.09818	1.0
261.05386	2.9
265.08566	4.6
268.07190	1.9
269.08011	1.6
273.06033	100.0
274.06412	3.6
278.05722	9.5
279.06494	15.5
280.07312	1.9
283.06537	1.4
283.09610	8.9
287.05426	2.2
289.07150	2.0
293.08026	15.4
294.08344	1.6
296.06784	2.3
297.07599	1.4
306.05173	1.4
307.05917	1.9
308.07098	1.5
311.09082	21.6
321.07529	7.1
322.07941	1.2
323.09268	1.4
337.09253	2.2
339.08600	30.5
340.08914	2.0
351.10672	1.6
357.09610	3.5
383.07355	1.4
411.34729	0.8
414.11621	1.1
429.10199	1.9
447.11334	31.1
448.11627	2.7
467.12741	1.0
513.13934	33.4
514.14270	3.6
531.15039	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.9
55.01878	15.9
55.05273	2.0
55.05514	25.2
56.23367	1.4
57.03435	29.0
57.07065	1.7
59.04979	2.2
65.03944	3.0
67.05504	44.3
69.03439	7.7
69.06732	13.6
69.07072	6.4
71.01357	2.5
71.04973	2.2
73.02913	4.7
79.05492	37.4
80.38624	1.4
81.03415	100.0
81.07056	25.6
82.04189	5.0
83.04975	20.2
83.08620	26.1
85.02894	3.1
85.06535	2.5
91.05479	28.6
92.05819	1.9
93.03386	1.8
93.07049	20.8
95.04968	38.2
95.08614	11.9
97.02888	6.8
97.06530	10.4
97.10175	17.1
98.07304	5.6
99.08090	3.1
103.05465	2.0
105.07034	18.1
107.04955	15.4
107.08574	17.8
109.02876	1.9
109.06498	4.6
109.10159	17.6
111.04438	9.6
111.08073	12.4
115.05401	2.6
116.04713	11.0
117.05486	2.6
117.07036	7.7
119.04926	1.8
119.08585	20.3
121.02866	5.9
121.06497	8.7
121.10142	12.5
123.04424	3.0
123.08054	5.3
125.09629	17.4
128.06129	1.8
129.05472	26.2
129.06937	11.6
131.08565	16.7
133.06470	4.0
133.10158	8.2
135.04414	5.3
135.08090	3.9
135.11699	12.1
137.09612	4.3
142.07803	2.2
143.06985	4.7
145.10129	5.1
147.08051	5.7
147.11705	10.1
149.09590	7.2
153.09134	2.2
153.12744	18.7
155.08615	2.0
157.08710	12.4
157.09933	11.8
163.11186	17.2
165.12746	3.0
171.10156	5.8
173.09602	2.5
173.11728	4.2
173.13188	2.0
175.11209	11.5
181.12245	17.1
183.11772	2.8
189.11214	13.0
191.10677	8.3
193.12253	36.2
194.12625	2.6
199.13335	3.4
200.14075	2.7
201.12781	2.9
201.14787	2.6
203.14424	2.1
207.13684	1.6
209.11731	11.0
211.13304	7.2
219.13805	3.6
227.12788	33.0
228.13135	2.2
229.14378	11.0
247.13281	25.3
248.13783	2.0
249.14859	4.3
259.13367	3.0
265.14307	2.2
267.15894	80.0
268.16272	4.3
283.15396	17.3
285.16830	4.2
301.16467	37.2
302.16635	3.6
321.16833	10.2
383.22064	3.9
401.22839	2.9
475.26764	11.9
476.27374	3.4
493.28024	36.5
494.28262	3.3
569.29236	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.9
55.01873	12.1
55.05511	39.5
56.05833	1.1
57.03440	27.0
57.07071	2.3
58.43820	0.9
59.05002	32.4
61.02924	3.5
62.88278	1.0
63.69239	1.0
65.03943	4.3
67.05504	100.0
68.05828	2.5
69.03432	9.0
69.07066	15.0
71.01362	2.5
71.04992	14.6
71.31074	1.9
73.02905	1.9
79.05492	48.3
81.03419	88.1
81.07054	57.4
82.03755	3.2
82.04205	1.2
83.04981	27.4
83.08616	35.1
85.02905	23.7
85.06552	5.9
87.04472	41.8
91.03975	2.1
91.05480	53.3
92.05831	2.0
93.07045	37.5
93.07628	2.0
94.07364	1.7
95.04967	32.1
95.08046	2.1
95.08609	25.5
95.09241	1.4
97.02881	11.8
97.06540	8.8
97.10163	18.3
99.04456	15.2
99.08095	3.1
101.05987	1.7
102.65987	1.1
105.04536	1.2
105.07030	29.4
106.07346	1.4
107.04960	17.0
107.05624	1.9
107.08598	17.8
109.06512	8.0
109.10156	66.2
110.10506	1.4
111.04441	11.8
111.08071	17.3
112.46182	1.2
113.05980	2.1
115.03915	1.5
115.05480	2.8
117.07000	7.0
119.08582	29.4
121.06520	7.4
121.10136	15.1
123.04411	2.1
123.08064	4.5
123.11704	1.4
125.09615	13.8
127.03917	2.5
128.06175	1.2
129.05504	2.6
129.07010	17.0
131.04970	1.7
131.08572	19.3
133.06487	4.5
133.10132	19.1
133.11057	1.6
135.04474	1.6
135.08037	2.9
135.11705	8.6
137.05966	1.2
137.09622	6.9
142.07799	3.9
143.10733	1.7
145.06456	1.7
145.10117	9.3
146.10477	1.2
147.08049	6.0
147.11688	17.9
148.12019	1.4
149.09639	9.4
153.12746	11.6
154.31000	1.1
155.08513	2.0
155.10667	4.6
157.10129	16.8
163.11169	14.9
165.12724	2.9
173.09607	3.2
173.11749	20.1
173.13130	1.9
174.66219	1.1
175.11188	17.6
176.11507	1.6
181.12195	8.3
185.13287	1.3
189.11198	3.3
191.10704	5.3
193.12248	59.4
194.12611	2.6
199.13242	9.2
205.12244	1.0
209.11754	7.0
211.13292	73.2
212.13722	2.2
217.14417	1.8
217.40154	1.1
222.72701	1.2
223.13242	2.6
227.12735	18.7
228.13087	2.1
229.14340	67.8
230.14598	2.6
231.13712	1.3
241.14368	3.2
246.25403	1.3
247.13385	6.3
249.14745	2.3
265.14224	2.3
267.15887	48.0
268.16306	4.3
273.14804	1.1
275.12573	1.2
283.15436	16.2
284.15616	1.6
285.16959	39.7
286.17258	2.4
295.15472	1.5
301.16418	3.6
313.16501	2.4
315.18011	8.1
321.17108	1.8
383.22198	4.1
391.24991	1.2
401.23212	2.2
409.25949	5.6
415.24957	1.3
421.25848	23.3
422.25980	3.0
427.26929	6.4
428.26965	1.3
439.26898	73.5
440.27374	6.9
457.26025	3.1
459.27048	1.6
475.26862	16.1
476.27020	1.8
493.28006	7.0
525.30341	4.4
543.31213	3.4
655.68237	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.7
55.01870	11.0
55.05515	29.9
57.03436	22.4
57.07060	3.3
59.04995	3.0
61.02921	8.6
65.03924	3.2
67.05507	62.2
68.05875	1.6
69.03440	3.0
69.07063	15.2
69.77865	1.5
70.84947	1.5
71.01337	1.7
71.04986	3.9
73.02917	2.1
79.05494	56.1
81.03429	11.6
81.07057	64.0
83.01343	10.6
83.04981	11.8
83.08623	18.5
85.02902	10.6
91.03933	2.3
91.04903	1.2
91.05481	36.9
93.07045	67.6
94.07435	1.6
95.04955	8.9
95.08612	47.2
96.08913	1.8
97.02892	6.5
97.06528	7.6
97.10163	3.5
98.23392	4.3
99.01772	1.3
99.04441	2.5
99.08089	1.5
103.68540	1.1
105.07036	24.3
107.04967	9.3
107.08598	33.6
109.06525	8.8
109.10158	15.8
111.04436	1.6
111.08049	2.1
117.07022	12.4
119.08582	17.5
121.06506	3.2
121.10142	22.6
123.04418	1.3
123.08073	8.6
123.11708	4.8
125.05984	1.6
125.09593	3.1
129.07037	2.0
130.07790	1.4
131.08595	12.6
133.10139	9.3
135.08038	2.3
135.11696	20.4
137.09645	2.4
143.08586	2.9
145.10120	19.4
147.08040	2.2
147.11726	6.0
149.13258	6.7
149.68546	1.1
153.12761	2.6
155.08597	1.4
159.11664	5.4
161.13281	3.8
163.11182	22.5
163.14828	3.5
173.09628	2.9
173.13269	4.0
177.16309	1.4
181.12245	4.0
184.07349	2.2
187.14774	1.5
189.11197	2.9
191.10657	1.9
209.11696	8.9
211.13455	1.8
227.12755	9.3
243.21040	7.1
261.22159	16.8
262.22455	1.6
273.21841	1.4
283.15405	90.7
284.15616	5.9
299.23682	3.8
317.24899	5.9
333.24030	2.5
335.25803	100.0
336.26102	6.8
433.30984	1.5
451.32056	2.5
469.32822	1.7
525.35406	3.7
543.36810	63.5
544.37421	6.0
561.37671	2.8
647.75629	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.5
55.01872	9.1
55.05508	26.7
57.03436	19.9
57.07072	2.6
59.04996	4.0
60.08163	1.5
61.02926	6.8
65.03930	2.5
67.05502	52.8
69.03423	3.0
69.07066	14.7
69.78904	0.7
69.95414	0.8
71.01353	1.0
71.05001	4.8
73.02916	2.8
77.03914	1.0
79.05490	50.6
81.03413	13.0
81.07052	59.7
82.07375	1.0
83.01331	8.9
83.04979	12.2
83.08614	16.7
85.02895	10.9
85.06546	1.5
86.09699	7.3
87.10031	1.4
91.03951	2.9
91.05476	32.3
92.05770	0.9
93.07040	58.6
94.07403	1.5
95.04967	9.3
95.08603	38.0
97.02874	6.3
97.06524	6.0
97.10153	4.3
98.22546	1.8
99.04453	2.3
99.08086	1.4
103.05432	1.9
105.04530	1.7
105.07030	22.8
105.93387	0.8
107.04951	8.8
107.08589	31.5
107.81824	0.9
108.08913	0.9
109.02870	0.8
109.06515	7.3
109.10149	13.1
111.04427	3.1
111.08083	3.3
115.05464	1.0
117.07012	13.9
119.08569	19.5
119.24381	0.9
121.06522	4.0
121.10141	20.3
123.04453	0.9
123.08083	8.6
123.11708	5.3
124.99990	6.5
125.05994	1.4
125.09650	3.2
129.07011	3.4
131.08572	10.4
133.10126	9.8
135.08063	2.9
135.11688	18.6
135.12685	1.3
137.09586	1.6
137.13258	1.8
143.08571	2.9
145.06526	1.4
145.10103	19.1
147.08078	2.3
147.11665	6.4
149.09674	1.5
149.13257	5.4
153.12720	2.5
155.08575	1.7
157.10132	1.0
159.11676	6.1
161.13229	4.4
163.11169	23.9
163.14830	2.6
164.11456	1.0
173.09651	3.7
173.13228	3.7
175.14734	1.5
181.12257	4.6
184.07336	20.8
185.07695	5.5
186.07776	2.8
187.14798	1.7
189.11183	2.1
191.10638	3.3
197.13106	0.9
199.14836	1.5
201.16304	1.0
202.48184	0.8
209.11748	9.2
211.13271	1.5
227.12738	9.9
229.48116	0.8
243.21066	3.9
259.20480	1.8
261.22144	17.1
267.15872	1.5
277.21484	1.4
283.15381	100.0
284.15677	6.4
299.23700	3.7
317.24747	3.9
333.24109	1.5
335.25775	72.4
336.26038	5.5
382.21121	0.9
433.31061	1.5
451.32114	2.9
469.32947	1.4
525.35852	3.6
543.36792	44.7
544.36829	6.9
561.37933	2.0
564.38861	0.9
643.68524	1.0
690.45209	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97346	1.2
53.03951	5.2
54.58627	1.2
55.01883	4.9
55.05511	16.1
57.03439	10.5
57.07080	1.7
59.10307	1.1
61.02927	1.8
65.03956	1.8
65.17706	1.1
67.05505	44.7
69.03429	2.1
69.07073	14.0
69.69550	6.2
71.05007	2.8
73.02901	1.1
79.05495	42.4
81.03418	1.5
81.07059	46.3
82.07361	1.4
83.04988	5.1
83.08611	10.5
85.06548	1.9
85.43224	1.0
86.09704	1.6
91.05476	16.0
93.07045	58.9
94.07327	1.7
95.04973	7.6
95.08607	59.6
97.02901	5.0
97.06512	5.6
97.10175	1.8
99.04478	3.8
105.03398	1.5
105.07036	13.2
107.04964	7.6
107.08596	41.3
108.08971	1.3
109.06533	3.2
109.10153	12.2
111.04452	1.2
111.08073	2.7
117.07026	11.3
119.08587	17.0
120.08933	1.1
121.06523	5.2
121.10143	20.5
123.11710	1.8
125.05988	2.3
130.07738	1.5
131.08569	5.3
133.10136	7.2
135.08035	1.4
135.11694	52.9
136.12033	2.2
143.08575	1.3
145.06444	1.3
145.10120	33.3
147.11702	3.1
149.13269	2.9
159.11763	2.1
161.13321	1.5
163.11176	62.8
163.14873	1.7
164.11606	3.8
173.13301	1.7
177.16406	1.3
179.25566	1.2
181.12263	12.2
184.07381	5.1
227.12775	96.9
228.13188	4.0
243.21001	1.7
248.59198	1.2
254.06700	1.3
261.22183	8.9
283.15408	100.0
284.15689	5.7
296.35559	1.2
299.23459	1.3
299.29922	1.2
306.27887	1.4
317.24826	1.4
335.25797	100.0
336.26111	9.4
344.89453	1.2
543.36780	83.1
544.37219	10.9
561.37091	1.3
740.44873	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.01875	2.0
55.05513	10.3
57.03436	6.8
57.07072	1.7
60.08187	0.8
65.03940	1.7
67.05503	34.2
69.03420	2.0
69.07066	10.1
71.04996	3.1
73.02908	1.0
79.05491	30.5
81.03406	2.4
81.07056	38.9
82.07372	0.7
83.04972	2.8
83.08615	9.1
85.02928	1.1
85.06503	1.0
86.09692	2.7
91.05475	13.5
93.07044	36.8
94.07380	1.1
95.04958	5.0
95.08604	41.3
96.08904	1.1
96.63218	0.8
97.02869	2.1
97.06527	2.6
97.10173	2.3
98.23401	2.7
99.04455	2.2
99.08036	0.9
102.85931	0.7
105.03391	1.1
105.04552	1.5
105.07030	10.0
107.04961	4.5
107.08590	24.4
109.06486	1.7
109.10148	9.9
111.04429	1.3
111.08041	1.5
117.07004	6.4
119.08594	10.1
121.06511	2.3
121.10126	16.1
123.11689	2.4
124.99999	1.5
130.07759	0.9
131.08562	3.7
133.10123	4.9
135.08041	1.2
135.11682	33.0
135.12685	1.8
136.12015	1.1
137.13194	1.0
143.08565	0.9
145.10130	21.2
147.11681	1.9
149.13275	2.3
159.11717	2.1
161.13214	1.6
162.09273	0.8
163.11183	35.3
163.14854	1.2
164.11523	1.8
167.75133	0.8
173.13219	1.8
181.12212	7.2
184.07338	7.1
187.14790	1.1
209.11519	1.3
227.12776	55.2
228.13191	2.8
243.21031	2.0
261.22083	5.5
275.19742	1.0
283.15396	41.0
284.15750	2.5
317.25027	1.0
335.25790	100.0
336.26144	8.8
414.43271	0.8
543.36768	65.9
544.37231	11.0
599.48859	1.1
740.44318	1.4
741.45404	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.0
65.03951	1.0
67.05488	1.4
68.99790	16.8
69.03432	1.2
71.30481	1.3
72.47717	0.7
79.05486	2.0
81.03423	2.3
85.02935	1.2
87.01558	0.9
89.03914	4.3
91.05508	1.1
93.03358	1.0
95.01366	1.4
95.04990	1.4
105.03395	1.2
107.04953	6.0
109.02877	2.7
111.00764	1.7
111.04447	19.4
117.03383	3.6
119.04943	1.4
121.02923	0.8
123.04426	38.7
125.02469	1.0
127.03919	5.7
131.04933	3.4
135.04417	55.2
136.04729	1.3
137.02338	57.1
138.02670	2.0
139.03896	21.8
145.02832	2.9
145.06441	0.8
145.85379	0.9
147.04422	7.7
149.02330	1.3
149.05965	1.9
151.03911	5.9
153.01845	8.5
153.05463	10.8
155.03406	1.1
155.04855	1.3
159.04393	4.5
161.02350	1.8
161.05978	3.9
163.03902	87.2
164.04308	3.6
165.05473	1.0
167.03413	1.1
169.06485	1.3
171.02901	4.4
171.04272	1.0
173.05989	3.8
175.03914	5.3
177.05470	3.7
179.03391	100.0
180.03773	4.1
183.04474	1.3
185.05971	1.4
187.03854	10.6
187.05170	0.9
189.01859	0.9
189.05444	2.1
191.03362	10.2
193.05046	1.3
197.05989	1.7
199.03879	1.1
201.01863	1.1
201.05469	6.5
203.03419	9.7
204.03845	1.2
205.04919	4.9
207.02863	1.3
211.03906	1.2
213.05484	2.0
215.03351	3.3
217.04984	1.9
219.02879	1.5
225.05449	2.0
227.03392	1.0
227.06911	1.0
229.04944	9.5
231.06410	1.0
237.05571	1.0
241.04922	2.2
243.06549	1.0
245.04366	2.7
246.04877	1.0
247.05986	35.6
248.06306	2.3
249.05515	0.9
253.04964	2.1
255.06505	2.7
257.04456	3.4
259.06015	3.3
265.17389	1.0
267.06506	1.2
269.04401	4.5
269.91705	0.9
271.05792	6.1
273.03943	0.9
275.07217	1.3
277.04886	1.1
281.04382	2.2
283.05997	6.8
285.03979	3.3
287.05557	3.2
289.07043	79.6
290.07483	4.8
293.08151	1.8
295.06067	2.4
297.03961	4.0
297.07593	3.3
299.05563	1.4
301.07031	8.3
309.03934	2.3
311.05377	4.1
313.03601	1.2
313.07016	10.1
315.05011	5.4
317.08176	1.7
321.07593	2.7
323.05469	6.1
327.05029	2.6
329.06580	1.9
333.06079	1.1
335.09045	1.6
339.05066	6.0
341.06479	14.4
342.06863	1.1
345.07660	2.3
351.04822	1.6
363.08865	4.0
367.08099	1.3
373.07004	1.2
377.06720	2.4
379.07465	1.1
387.08658	0.9
391.07986	9.2
409.09113	14.4
410.09076	0.8
411.10577	1.5
415.08047	1.0
419.07568	2.1
433.09137	18.8
434.09265	1.9
437.08719	8.6
449.08789	4.4
451.10181	27.4
452.10474	3.6
461.08670	3.1
473.07785	0.9
529.11487	1.4
571.12360	12.0
589.13123	1.1
604.70715	0.8
659.65271	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.0
65.03951	1.0
67.05488	1.4
68.99790	16.8
69.03432	1.2
71.30481	1.3
72.47717	0.7
79.05486	2.0
81.03423	2.3
85.02935	1.2
87.01558	0.9
89.03914	4.3
91.05508	1.1
93.03358	1.0
95.01366	1.4
95.04990	1.4
105.03395	1.2
107.04953	6.0
109.02877	2.7
111.00764	1.7
111.04447	19.4
117.03383	3.6
119.04943	1.4
121.02923	0.8
123.04426	38.7
125.02469	1.0
127.03919	5.7
131.04933	3.4
135.04417	55.2
136.04729	1.3
137.02338	57.1
138.02670	2.0
139.03896	21.8
145.02832	2.9
145.06441	0.8
145.85379	0.9
147.04422	7.7
149.02330	1.3
149.05965	1.9
151.03911	5.9
153.01845	8.5
153.05463	10.8
155.03406	1.1
155.04855	1.3
159.04393	4.5
161.02350	1.8
161.05978	3.9
163.03902	87.2
164.04308	3.6
165.05473	1.0
167.03413	1.1
169.06485	1.3
171.02901	4.4
171.04272	1.0
173.05989	3.8
175.03914	5.3
177.05470	3.7
179.03391	100.0
180.03773	4.1
183.04474	1.3
185.05971	1.4
187.03854	10.6
187.05170	0.9
189.01859	0.9
189.05444	2.1
191.03362	10.2
193.05046	1.3
197.05989	1.7
199.03879	1.1
201.01863	1.1
201.05469	6.5
203.03419	9.7
204.03845	1.2
205.04919	4.9
207.02863	1.3
211.03906	1.2
213.05484	2.0
215.03351	3.3
217.04984	1.9
219.02879	1.5
225.05449	2.0
227.03392	1.0
227.06911	1.0
229.04944	9.5
231.06410	1.0
237.05571	1.0
241.04922	2.2
243.06549	1.0
245.04366	2.7
246.04877	1.0
247.05986	35.6
248.06306	2.3
249.05515	0.9
253.04964	2.1
255.06505	2.7
257.04456	3.4
259.06015	3.3
265.17389	1.0
267.06506	1.2
269.04401	4.5
269.91705	0.9
271.05792	6.1
273.03943	0.9
275.07217	1.3
277.04886	1.1
281.04382	2.2
283.05997	6.8
285.03979	3.3
287.05557	3.2
289.07043	79.6
290.07483	4.8
293.08151	1.8
295.06067	2.4
297.03961	4.0
297.07593	3.3
299.05563	1.4
301.07031	8.3
309.03934	2.3
311.05377	4.1
313.03601	1.2
313.07016	10.1
315.05011	5.4
317.08176	1.7
321.07593	2.7
323.05469	6.1
327.05029	2.6
329.06580	1.9
333.06079	1.1
335.09045	1.6
339.05066	6.0
341.06479	14.4
342.06863	1.1
345.07660	2.3
351.04822	1.6
363.08865	4.0
367.08099	1.3
373.07004	1.2
377.06720	2.4
379.07465	1.1
387.08658	0.9
391.07986	9.2
409.09113	14.4
410.09076	0.8
411.10577	1.5
415.08047	1.0
419.07568	2.1
433.09137	18.8
434.09265	1.9
437.08719	8.6
449.08789	4.4
451.10181	27.4
452.10474	3.6
461.08670	3.1
473.07785	0.9
529.11487	1.4
571.12360	12.0
589.13123	1.1
604.70715	0.8
659.65271	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2027
Annotation	Epicatechin-(4beta->8)-epicatechin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03957	1.0
55.01877	2.1
61.27076	0.6
63.02373	0.7
65.03943	4.6
67.05508	2.1
68.99783	5.5
69.03426	2.9
71.05001	0.9
71.30327	0.8
76.35117	0.5
77.03941	1.4
79.05490	1.5
81.03411	3.5
83.04984	0.9
85.02901	6.4
89.03919	1.7
91.05473	1.4
93.03400	5.5
95.04967	2.8
95.29508	0.7
97.02901	2.3
99.04462	1.2
103.05473	1.0
103.31184	0.6
105.03376	1.4
107.04951	5.1
109.02876	2.8
111.00790	2.2
111.04440	16.7
115.05424	0.8
117.03369	2.0
119.04935	3.6
121.02882	1.2
123.04427	100.0
124.04769	1.9
127.03912	55.8
128.04263	1.5
131.04942	2.8
133.06459	0.8
135.04411	59.1
136.04735	1.9
137.02333	6.2
137.05946	0.8
139.03896	87.8
140.04242	1.9
141.06915	0.8
143.04895	1.4
144.08080	8.7
147.04401	13.7
147.05592	0.8
149.02319	7.1
149.05959	2.6
151.03900	29.5
153.05431	1.5
155.04874	1.1
157.06485	1.3
159.04410	3.5
161.05994	5.0
161.10750	1.0
162.17509	0.6
163.03900	47.0
164.04254	1.2
165.01814	0.7
165.05482	9.0
167.03430	3.5
169.05046	0.9
169.06439	1.8
171.04434	0.7
173.06003	3.3
175.03896	2.9
177.05516	3.2
179.03406	10.5
179.06990	0.9
181.04897	2.2
183.04439	1.7
185.05988	2.1
187.03879	5.9
189.05470	2.6
191.03386	6.8
193.04953	5.7
197.05980	2.5
199.03680	0.9
201.05484	7.3
203.03410	8.0
203.07100	1.9
205.04977	3.2
207.06483	2.7
213.05418	4.7
215.03392	2.0
215.07065	2.9
217.04912	2.5
219.06512	0.8
225.05450	1.2
227.06912	0.8
229.04961	8.5
230.05580	1.1
231.06516	5.6
233.04439	2.8
241.04874	3.4
243.06496	4.7
245.04437	11.0
247.06001	29.8
248.06340	2.0
253.04962	0.9
255.06374	3.3
257.04477	13.9
258.05103	2.4
259.06021	14.7
261.07590	6.9
269.04407	3.7
271.05997	19.2
272.06488	1.0
273.07584	3.2
275.05447	11.1
283.05951	6.2
285.04056	0.7
285.07523	2.2
286.04553	1.7
287.05475	25.0
287.08676	1.4
288.05826	1.7
289.07053	40.3
290.07327	2.7
291.08624	24.0
292.08939	1.3
299.05453	5.8
301.03699	1.1
301.07031	18.4
301.10385	1.0
302.07449	0.8
303.08612	2.7
311.05463	1.3
313.07071	3.1
379.07751	0.7
391.08304	1.3
409.09143	25.8
409.14642	1.4
410.09088	3.4
411.10587	3.4
421.09015	1.0
427.10226	10.0
433.09061	1.5
435.10666	5.1
437.08707	1.0
439.10098	2.4
449.08176	0.9
451.10303	1.6
453.11835	4.1
521.09052	1.2
522.27283	0.7
561.12939	1.0
562.14355	0.9
571.13245	1.3
579.14850	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2018
Annotation	Epicatechin-(4beta->8)-epicatechin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03958	0.6
55.01883	2.1
61.02922	0.6
61.27631	0.6
65.03941	2.1
67.01858	1.0
67.05499	0.9
68.99783	5.0
69.03433	1.8
69.40817	1.9
69.41228	1.1
70.21963	0.5
77.03954	0.7
78.04980	0.5
79.05450	0.5
81.03406	3.1
83.04970	0.5
85.02900	3.8
87.59232	0.5
89.03922	1.4
91.05477	1.0
93.03406	2.6
95.04996	2.0
97.02885	1.5
98.22610	0.9
99.04465	0.7
103.05474	0.7
105.03390	1.1
107.04948	3.1
109.02894	3.8
111.00806	2.4
111.04449	7.1
115.05449	0.6
117.03403	1.1
119.04945	2.5
121.02865	1.4
123.04425	53.3
124.04779	1.0
127.03913	100.0
128.04262	1.8
131.04922	2.0
135.04410	45.1
136.04721	1.1
137.02371	3.7
137.05957	0.7
139.03897	76.0
140.04245	1.6
141.07024	0.9
143.04922	1.1
143.58890	0.6
145.06488	0.6
147.04407	8.7
149.02342	4.9
149.05984	1.8
151.03903	16.5
153.07025	0.6
155.04875	1.3
157.06499	1.1
159.04398	4.1
161.05994	3.6
163.03899	45.4
164.04300	2.0
165.05479	7.0
166.05835	0.6
167.03401	6.7
169.05125	0.7
169.06512	2.2
173.05975	3.2
175.03929	3.6
177.05432	4.8
179.03386	4.1
181.04941	2.1
181.06396	0.8
183.04425	1.3
183.84795	0.4
185.05962	1.5
187.03850	6.4
187.07547	0.6
189.05449	2.4
191.01904	0.4
191.03380	11.5
193.04962	3.0
197.05966	4.1
199.07620	0.6
201.05467	7.8
203.03387	6.7
203.06973	2.7
205.04955	3.9
207.06520	2.1
213.05457	2.2
215.03412	1.5
215.06915	3.0
217.04944	1.9
219.06554	1.0
225.05496	1.4
227.03510	0.6
229.04970	10.9
230.05370	0.9
231.06473	3.1
233.04420	6.1
237.05388	0.6
241.04996	2.3
243.06543	5.0
245.04506	5.8
247.06004	25.6
248.06345	1.2
251.05482	1.1
253.04961	1.6
255.06528	2.1
257.01965	0.8
257.04446	9.6
258.05090	1.1
259.06018	12.9
261.07574	3.0
265.04916	0.9
269.04443	3.1
271.05994	21.5
272.06354	1.5
273.07529	3.0
275.05484	13.3
279.06525	0.6
283.05984	9.1
285.07645	0.9
287.05502	17.2
288.05746	1.3
289.07050	29.9
290.07327	2.2
291.08621	25.0
292.08835	1.4
297.07391	0.7
299.05432	3.8
301.06985	12.8
302.07288	0.5
303.08643	2.5
311.05344	0.7
313.07071	1.3
325.06976	0.6
380.35733	0.6
391.08325	0.8
393.09692	1.0
403.17941	0.6
409.09171	24.3
410.09512	1.6
411.10504	3.0
421.08765	1.0
427.10260	13.0
428.10611	0.9
435.10617	1.1
439.10159	1.2
453.12039	0.7
455.65173	0.5
579.14252	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2025
Annotation	3-O-beta-D-Glucosylcatechin-(4alpha->8)-catechin
Peak:m/z	Relative Intensity
53.03978	0.9
55.01881	2.2
61.02936	0.7
63.76970	0.5
65.03942	3.8
67.05514	1.3
67.91521	0.5
68.99791	5.8
69.03419	1.5
70.33745	1.7
77.03909	0.6
79.05497	1.5
81.03424	3.6
83.04997	0.8
85.02902	5.3
89.03919	1.7
91.05446	0.7
93.03410	5.4
95.04996	2.7
97.02876	2.8
103.05487	1.2
105.03439	0.7
107.04965	4.4
109.02861	2.7
111.00787	3.6
111.04448	16.2
115.05454	0.8
117.03387	1.4
119.04956	1.5
121.02872	2.0
123.04436	64.9
124.04761	2.8
127.03920	76.1
128.04242	1.6
128.95966	0.5
131.04932	2.7
135.04417	70.6
136.04744	1.8
137.02345	3.8
137.05972	0.9
139.03903	100.0
140.04259	3.0
141.07021	0.8
143.04933	0.9
145.06497	0.9
147.04408	8.6
149.02347	5.8
149.05997	1.7
151.02686	1.3
151.03909	25.4
152.04257	0.8
153.01823	0.9
155.04912	0.9
157.06505	1.1
159.04440	2.6
161.05994	3.3
163.03911	42.5
164.04263	1.4
165.05495	6.3
167.03412	5.5
169.06488	1.5
171.04414	0.6
173.05988	3.6
175.03894	4.4
177.05460	3.5
179.03421	6.5
179.06949	0.6
181.04973	1.1
181.06500	1.1
183.04408	1.7
185.05968	1.9
187.03853	5.3
189.05490	2.2
191.03406	9.2
193.04961	4.2
197.06032	2.8
199.07413	0.7
201.05486	7.0
203.03389	7.6
203.07007	2.4
205.04950	4.0
207.06471	1.2
213.05472	3.3
215.03416	1.9
215.07034	2.3
217.04941	2.3
219.06473	0.8
225.05550	1.9
227.07146	0.7
229.04962	8.5
231.06487	3.4
233.04480	4.7
237.05435	0.6
241.04994	2.6
243.06552	5.4
245.04469	5.1
247.06003	18.3
248.06335	0.7
251.05518	1.6
253.04938	1.2
255.06548	2.5
257.04459	10.0
258.05130	0.9
259.06033	11.1
260.06250	0.9
261.07581	6.0
265.04877	1.1
267.06482	0.5
269.04398	1.5
271.06018	23.5
272.06259	1.5
273.07617	3.8
275.05496	8.3
283.05963	8.9
283.08707	0.6
284.06525	0.7
285.07642	1.2
287.05508	17.3
288.05911	0.6
289.07068	36.8
290.07306	2.1
291.08630	21.8
292.09067	1.0
295.05765	0.6
299.05582	2.6
301.06952	11.7
301.09906	0.8
302.07272	0.7
303.08701	0.8
309.07388	0.6
311.05304	0.8
313.07007	1.8
325.06934	0.6
355.08142	0.8
379.07635	0.6
391.09894	0.6
409.04031	1.0
409.09161	16.0
410.09427	1.3
411.10541	1.7
427.10275	7.8
435.10709	0.9
572.46295	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2026
Annotation	3-O-beta-D-Glucosylcatechin-(4alpha->8)-catechin
Peak:m/z	Relative Intensity
53.03940	1.2
55.01876	1.4
57.02402	0.5
65.03933	3.1
67.01871	0.7
67.05512	1.3
68.99783	6.8
69.03417	2.0
69.13649	4.9
69.63220	0.5
71.04988	1.0
73.02914	0.7
77.03907	0.9
79.05498	1.0
81.03416	4.1
83.04974	1.2
85.02905	5.8
87.27755	0.5
89.03916	1.9
91.05463	1.1
93.03384	4.4
95.04948	2.9
97.02887	2.5
99.04477	1.4
103.05498	1.5
105.03401	1.0
107.04947	5.1
109.02859	3.7
111.00774	3.4
111.04438	15.1
112.04752	0.6
117.03374	1.9
117.06969	0.8
119.04937	2.6
121.02855	1.9
123.04427	84.4
124.04758	2.4
127.03912	100.0
128.04254	2.1
131.04945	2.6
135.04410	66.5
136.04764	1.7
137.02345	6.7
137.05991	1.3
139.03896	95.5
140.04219	2.8
141.06987	1.3
143.04909	1.8
145.02859	1.1
145.04965	0.7
145.06496	1.0
147.04396	14.3
149.02335	6.8
149.05980	2.1
151.03902	22.5
152.04216	1.0
153.01772	1.0
153.05440	1.0
153.06888	0.7
155.04874	1.0
157.06487	1.7
159.04402	4.6
161.05980	5.9
163.03899	55.1
164.04214	1.8
165.05487	10.4
167.03436	3.9
169.05048	1.3
169.06526	1.6
173.05951	4.9
175.03821	2.9
175.07446	0.8
177.05478	5.0
179.03391	10.5
179.06927	1.3
181.04959	2.3
181.06419	1.0
183.04408	2.8
185.05949	1.9
187.03839	7.2
187.07516	1.2
189.05434	3.5
191.03358	5.7
193.04950	3.4
197.05989	3.6
201.05479	5.5
203.03381	6.3
203.07097	1.7
205.04985	3.5
207.06494	4.3
211.03871	0.8
213.05479	2.4
215.03374	0.9
215.07034	3.3
217.04932	2.1
219.06450	0.8
225.05449	2.5
229.04973	7.7
230.05502	0.8
231.06522	3.7
233.04407	2.4
237.05511	0.8
241.04953	2.0
243.06496	5.9
245.04413	6.4
247.06018	24.2
248.06386	1.7
253.04869	1.8
255.06445	1.7
257.04459	8.8
257.06952	1.1
258.05038	1.7
259.05984	9.0
260.06256	0.8
261.07565	5.6
269.04507	2.9
271.05991	25.2
272.06247	1.1
273.07513	2.2
275.05524	5.9
283.05811	4.1
285.07532	1.1
286.04694	1.1
287.05472	12.3
288.05600	1.0
289.07050	37.9
290.07291	2.0
291.08606	43.7
292.08948	2.4
295.05991	1.0
297.07306	1.0
299.05438	3.9
301.06964	10.9
301.27426	0.6
302.07391	0.8
303.08728	3.0
311.05341	0.8
313.06967	1.9
322.36658	0.6
323.05499	1.0
333.09729	1.1
339.05164	0.9
341.06375	0.8
341.10056	0.7
345.29385	0.7
367.07816	0.7
391.08096	0.8
396.69446	0.6
409.04007	1.2
409.09109	16.9
410.09317	1.1
411.10635	5.2
419.09045	0.9
421.08978	1.0
427.10248	7.6
433.09711	1.4
435.10550	2.0
437.08447	0.8
439.10089	1.8
449.08517	0.8
451.10321	2.8
453.11853	1.2
541.49438	0.7
561.13666	1.0
571.12799	0.8
579.14783	1.0
659.52112	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32551	0.3
55.01875	0.3
55.05498	1.2
57.03436	2.0
61.02923	1.7
67.05488	0.3
68.99791	0.6
69.03429	1.3
71.01366	0.6
71.04995	11.7
71.33420	0.3
73.02919	1.6
75.04475	0.5
79.05443	0.3
81.03397	0.4
83.04978	4.1
85.02905	16.6
87.04474	0.3
87.99241	0.2
91.03946	0.7
95.04962	0.7
96.75411	0.2
97.02879	1.0
99.04436	1.0
109.02863	0.8
110.29129	0.3
111.00797	0.5
111.04457	2.2
113.05977	0.4
117.05478	0.7
121.02879	1.7
123.04425	0.5
124.84610	0.3
127.03916	0.9
129.05475	4.3
132.69362	0.3
133.02840	0.4
135.04395	0.4
137.02348	0.8
138.65022	0.3
139.03888	0.3
141.05426	0.2
145.06519	0.3
146.50731	0.3
147.04413	0.6
147.06474	1.9
153.01823	3.1
153.05444	0.8
157.04947	0.7
163.05997	0.7
165.01849	1.6
171.04466	0.3
171.06471	0.3
183.02994	0.5
185.06056	0.5
189.05557	0.3
194.26785	0.3
201.07506	0.3
203.07085	0.3
213.05408	1.1
231.06520	0.6
239.09044	1.2
241.04961	0.5
257.10147	0.3
258.05289	0.8
259.05978	0.3
287.05484	100.0
288.05795	6.5
299.05566	1.0
329.06607	1.3
353.06329	0.7
397.09015	0.5
433.11346	0.6
449.10654	1.5
766.14703	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01867	0.3
55.05502	0.9
57.03439	2.2
61.02925	0.7
62.28071	0.3
68.99799	0.4
69.03435	1.9
69.96348	0.9
69.96716	0.5
70.44772	0.3
71.01369	0.3
71.04992	13.2
73.02904	1.3
75.04470	0.4
81.03421	0.6
82.95572	0.3
83.04974	3.3
85.02903	16.7
86.03247	0.4
87.04458	0.3
89.42657	0.3
95.04945	0.9
97.02883	1.1
98.71275	0.3
99.04438	1.3
101.05965	0.3
109.02882	0.7
111.00799	0.8
111.04431	3.1
117.05482	0.9
121.02863	1.8
123.04482	0.3
127.03913	0.9
129.05467	5.1
133.05412	0.3
135.04388	0.4
137.02332	0.7
145.04956	0.5
147.04430	0.6
147.06474	1.9
153.01814	2.8
153.05457	0.8
163.03951	0.4
163.06058	0.5
165.01906	1.4
171.06491	0.4
183.02922	0.7
185.05981	0.7
201.07675	0.4
213.05473	0.8
219.75360	0.3
231.06482	0.7
239.09189	1.1
241.04971	0.6
258.05212	1.1
259.06015	0.5
262.86972	0.3
275.11282	0.5
287.05475	100.0
288.05804	6.8
329.06421	1.1
353.06244	0.5
397.08859	0.5
415.10553	0.3
433.11191	0.5
449.10745	1.0
465.97501	0.3
656.75287	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2234
Annotation	Kaempferol 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03941	0.5
54.08575	0.4
55.05506	0.4
57.03443	2.0
61.02915	1.1
65.65772	0.3
67.05486	0.4
68.99882	3.7
69.03421	1.2
71.04602	0.7
71.04995	13.6
73.02917	1.5
75.04456	0.5
81.03415	0.8
83.04984	4.0
84.05309	0.4
85.02908	18.1
86.03241	0.5
87.04446	0.4
91.03934	0.6
95.00640	0.3
95.04987	0.7
96.17640	0.3
97.02888	0.6
99.04477	0.9
103.03907	0.4
107.04960	0.4
109.02876	0.6
109.67014	0.3
111.00798	0.5
111.04433	3.0
113.06030	0.6
117.05505	0.6
121.02873	2.5
123.04443	0.5
123.52708	0.3
127.03914	1.4
128.70178	0.3
129.05476	5.5
135.04407	0.3
137.02332	0.6
139.03903	0.5
147.04425	0.4
147.06532	2.6
151.07567	0.3
153.01836	2.3
153.05482	0.7
163.03902	0.5
163.06000	0.7
165.01765	1.8
183.02841	0.8
213.05460	1.3
231.06450	0.4
239.09084	1.5
241.05000	0.6
258.05298	0.6
259.06055	0.6
275.11246	0.7
287.05499	100.0
288.05841	6.5
299.05505	1.3
300.06277	0.6
311.25027	0.4
329.06711	1.6
353.06488	0.9
397.09256	0.3
431.09445	0.5
433.11276	1.3
449.10736	1.3
502.87979	0.3
550.71747	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.8
54.10212	1.2
55.01860	2.1
55.05508	12.0
55.32128	1.1
57.03432	3.9
57.07065	3.1
65.03955	1.4
67.05504	31.4
68.62301	1.5
69.03430	5.5
69.07064	10.9
71.04991	6.6
73.09481	1.2
79.05492	18.9
81.03416	22.7
81.07056	38.2
83.04986	6.4
83.08620	6.7
85.02425	2.6
85.02906	37.2
91.05478	20.9
93.07038	35.3
95.04974	12.7
95.08606	59.5
96.08922	1.5
97.02888	85.2
97.06525	5.0
97.10149	3.2
98.22994	9.3
99.04452	51.9
99.08108	1.3
103.03940	45.8
103.05428	1.5
105.07024	30.6
106.07350	1.5
107.04961	3.7
107.08595	40.4
109.02885	28.7
109.06504	4.2
109.10156	28.7
111.04423	2.8
111.08084	5.4
113.06022	2.7
113.62769	1.2
115.07594	1.9
117.07023	6.4
119.08575	39.5
121.06498	5.5
121.10140	42.1
122.10488	1.5
123.08035	8.6
123.11693	13.7
123.42028	1.4
125.09617	4.1
127.03909	100.0
128.04208	1.5
128.06227	1.9
129.07002	3.3
130.07758	1.4
131.08565	14.2
133.06516	2.0
133.10117	31.2
133.11058	2.4
135.08066	6.1
135.11682	18.5
136.12035	2.1
137.09621	2.8
137.13261	2.6
139.07585	2.7
139.11151	2.3
141.07047	2.0
141.09081	2.8
142.07791	3.4
143.08557	10.0
144.09286	1.5
145.04951	17.4
145.06039	1.8
145.06429	1.0
145.10097	21.9
147.08035	4.9
147.11671	21.1
149.09601	6.4
149.13266	7.0
151.11093	1.8
153.09131	4.2
155.08606	3.0
156.09381	1.9
157.10150	10.8
157.87198	1.5
159.08052	1.9
159.11679	19.7
161.09633	10.5
161.13255	24.7
162.13617	2.1
163.06017	2.5
163.11198	7.0
163.14804	4.1
165.09137	2.1
167.10704	5.1
169.10152	4.9
171.08183	1.4
171.11702	7.4
173.09633	4.7
173.13298	11.5
175.11206	10.5
175.14792	11.0
177.12694	1.8
177.16345	3.7
179.08601	1.6
179.10664	2.1
180.22646	1.2
181.10075	2.5
181.12234	8.8
183.11720	4.3
184.07326	3.5
185.09677	2.4
185.13263	5.9
187.11292	3.0
187.14842	10.0
189.12752	4.1
189.16399	11.1
191.14288	3.1
193.10217	1.5
193.12178	2.2
193.15842	1.4
195.11829	2.9
195.13824	5.0
197.09689	1.7
197.13264	4.2
199.11241	2.4
199.14789	6.9
201.12744	3.1
201.16402	7.1
203.14311	3.5
203.17943	4.1
205.15865	3.1
207.13770	1.6
209.13400	2.2
209.15340	4.0
211.11172	2.2
211.14709	2.7
213.12825	2.2
213.16389	4.5
215.14328	3.5
215.17845	2.2
217.15860	9.0
217.19508	1.7
219.13792	3.1
219.17442	2.3
221.15302	6.2
222.53224	1.2
223.14908	1.8
223.16959	5.9
225.12856	2.5
225.16318	2.2
227.14319	1.5
227.17859	1.5
229.15897	5.7
229.19519	2.2
229.30865	1.8
231.17442	4.6
233.15341	6.4
235.14841	2.4
235.16931	19.5
237.16364	1.8
237.18495	5.7
243.17482	2.9
247.16994	12.3
249.18515	6.9
251.14294	1.5
253.07227	1.4
261.18555	3.6
263.20187	1.6
265.19479	1.4
271.08066	7.0
275.20093	2.5
283.20349	1.3
289.21701	1.3
311.23572	2.3
323.20407	1.4
325.18060	2.5
329.24734	4.2
335.25809	4.1
343.26184	9.7
355.26169	5.8
397.31000	2.2
407.32935	3.9
415.29025	1.4
417.31479	6.6
425.34314	9.9
426.34268	1.8
433.30844	2.0
435.32593	25.3
436.32907	4.4
453.33499	20.7
454.33957	2.1
469.32968	2.1
471.34723	14.9
472.34979	2.0
515.34967	1.5
527.37457	1.7
533.36426	1.5
543.27032	1.4
543.35162	5.1
544.36896	5.9
545.38000	3.6
553.35651	1.7
561.35626	14.3
579.36511	4.1
723.40503	3.5
741.42206	7.8
742.43317	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.9
55.05513	7.2
57.03441	1.5
57.07081	1.2
59.04997	2.4
65.03936	1.8
67.05511	17.0
67.21554	1.1
69.03432	15.2
69.07071	6.9
71.05013	5.3
71.05320	1.0
71.30614	1.4
73.02934	1.7
73.15707	0.9
79.05486	14.7
81.02988	1.5
81.03422	23.5
81.07055	24.0
83.04988	3.9
83.08620	1.6
85.02905	34.0
91.05476	19.8
93.07045	24.3
95.04997	7.9
95.08608	44.2
96.08987	1.2
97.02896	31.2
97.06525	3.7
97.10189	1.7
99.04456	33.9
103.03944	37.3
103.05438	2.4
105.07034	31.1
106.07340	1.5
106.11938	1.1
107.04975	1.0
107.08591	23.5
109.02879	31.1
109.06517	3.1
109.10156	20.1
111.04452	1.9
111.08068	8.2
113.05980	2.0
113.09632	1.4
117.07021	8.2
119.08582	38.2
121.06461	2.1
121.10149	21.4
123.08072	5.2
123.11713	7.4
125.09615	4.8
127.03921	100.0
128.04251	2.2
128.06207	2.2
129.05449	1.2
129.06990	3.3
130.07829	1.4
131.08568	14.2
133.10129	21.7
134.10542	1.5
135.08029	6.4
135.11690	12.7
137.09612	2.8
140.67867	1.0
141.06960	1.2
142.07793	4.1
143.08556	10.5
144.09317	1.3
145.04964	19.7
145.10110	23.9
147.08073	1.9
147.11690	16.1
149.09621	4.5
149.13214	6.0
155.08569	3.5
156.09297	2.3
157.10124	16.3
158.10924	1.8
159.08047	1.5
159.11705	25.3
161.09592	7.7
161.13258	29.2
162.13548	1.7
163.06020	3.8
163.07445	1.1
163.11139	3.6
163.14839	2.7
165.06885	1.2
166.99796	1.0
167.08600	1.4
169.10135	4.6
171.11694	11.8
173.09596	1.3
173.13258	16.2
173.14656	1.9
175.11189	5.2
175.14803	9.1
177.12793	3.8
177.16374	3.0
181.02119	1.1
181.10155	2.4
182.10892	1.4
183.11755	7.8
184.07385	3.5
184.12239	1.2
185.13228	9.1
187.06015	8.3
187.11128	2.2
187.14851	10.4
189.12756	6.7
189.16426	8.1
191.14284	5.9
191.18037	1.2
195.11742	3.6
197.13350	5.1
199.06007	1.3
199.14810	10.9
201.12770	5.4
201.16400	14.3
203.14372	7.2
203.17931	2.6
205.15819	2.1
207.11714	2.4
209.13350	2.8
211.11240	1.1
211.14824	4.3
213.12767	1.1
213.16351	7.3
215.14302	4.3
215.17786	2.6
217.15930	11.0
219.17406	7.4
221.13246	2.0
221.15378	1.7
223.14943	2.9
225.16484	2.6
227.14252	1.7
227.17934	1.8
229.15887	3.6
231.17412	3.7
235.05919	1.1
235.14711	1.6
235.16919	1.6
239.17717	1.2
241.19597	1.7
243.17491	2.5
245.19026	1.5
247.16956	2.4
253.07077	2.5
253.19524	2.2
257.19150	1.6
265.19431	2.2
271.08160	6.8
279.21039	1.2
289.09061	2.6
293.22845	1.7
311.23709	2.8
325.25189	2.2
337.25226	1.9
339.26813	1.4
379.29932	3.6
407.33136	11.0
408.33505	1.3
417.31531	14.2
433.31241	2.6
435.32571	41.6
436.32990	6.5
453.33624	12.3
489.33786	1.7
525.33459	2.5
543.34839	6.4
561.35474	3.7
579.36505	5.5
597.37482	1.4
639.38440	1.5
705.39355	3.0
723.40607	3.8
741.42145	12.3
742.42236	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.1
55.01875	1.9
55.05515	7.4
57.07079	1.8
63.91280	1.1
65.03940	1.7
67.05502	19.0
69.03436	2.6
69.07070	9.9
71.04996	6.6
71.30473	0.9
79.05494	12.3
81.03425	16.4
81.07051	28.9
81.07523	1.8
83.04993	4.0
83.08613	6.4
85.02104	1.2
85.02903	33.1
91.05479	12.7
93.07041	31.7
95.04959	9.2
95.08604	53.6
95.35586	1.1
96.08920	1.3
97.02889	86.6
97.06512	5.3
97.10172	2.7
98.03158	1.4
99.04452	44.3
100.04823	1.3
103.03938	53.1
105.07027	25.3
107.04966	2.3
107.08592	37.8
109.02874	20.8
109.06522	3.2
109.10152	25.1
109.10890	1.5
111.04447	2.6
111.08080	4.0
113.06008	2.2
115.05428	1.3
116.34344	1.0
116.90140	1.1
117.07053	3.5
118.79533	1.2
119.08578	33.8
120.08911	1.2
121.06547	2.6
121.10139	33.2
121.11029	2.1
123.08099	8.3
123.11718	11.5
125.09612	2.6
127.03914	100.0
128.04277	2.8
128.06209	1.4
129.07016	2.3
130.03835	1.1
131.08559	13.0
133.06480	1.7
133.10121	24.2
135.08086	5.3
135.11699	17.3
137.09586	2.2
137.13293	1.2
139.07518	2.7
141.09113	3.2
141.24384	1.1
142.07784	1.9
143.08546	6.1
144.09412	1.1
145.04953	19.9
145.10118	19.0
147.08049	5.3
147.11682	19.4
148.12358	1.1
149.09599	5.4
149.13243	6.8
151.11227	1.3
153.09064	3.0
154.15660	1.2
155.08562	3.1
156.09344	1.7
157.10149	8.3
159.08090	3.4
159.11690	21.0
161.09637	8.3
161.13249	21.2
163.11201	5.7
163.14836	3.5
165.09134	2.4
167.08531	1.6
167.10623	5.1
168.09315	1.3
169.10136	3.8
171.08037	1.4
171.11705	5.8
173.09663	3.7
173.13271	10.9
175.11201	7.5
175.14842	8.9
177.12741	3.6
177.16331	3.1
179.10692	2.4
181.10175	3.1
181.12238	8.1
183.11725	4.8
185.09650	2.9
185.13258	6.4
187.11183	3.0
187.14822	10.5
189.12761	2.7
189.16383	8.7
191.14339	2.1
191.17854	1.1
193.10231	1.3
193.12346	1.8
195.11810	2.5
195.13911	3.4
197.09602	2.6
197.13318	3.9
199.11240	1.8
199.14838	6.7
201.12738	3.1
201.16341	7.8
203.14323	4.3
203.17961	2.0
205.15810	2.9
207.11794	2.3
207.13734	1.4
209.13344	1.9
209.15338	3.9
211.11185	1.9
211.14841	3.0
213.12833	2.4
213.16289	5.2
215.14384	5.9
215.18005	2.7
217.15848	7.4
219.13850	3.5
219.17484	3.7
221.15335	7.6
223.11282	1.7
223.16963	4.5
225.12825	1.8
225.16501	1.9
229.15953	3.9
231.17508	3.4
233.13344	1.1
233.15343	6.3
235.14771	1.1
235.16949	19.2
237.12682	1.2
237.16528	1.3
237.18468	5.3
243.17331	1.5
245.15302	1.6
247.16924	12.7
249.18494	10.4
251.14569	1.6
251.17715	1.1
255.13820	1.0
257.19098	1.1
259.16840	1.6
261.18616	3.3
269.15201	1.3
269.19113	1.4
271.08163	3.8
307.16647	1.1
311.23636	1.2
325.17929	3.3
325.21524	1.2
326.22211	1.3
329.24802	3.5
337.25143	1.4
343.26282	5.2
355.26276	2.2
379.26080	1.8
407.33041	3.2
415.28372	1.3
417.31409	5.1
425.34045	8.2
433.30780	1.7
435.32547	21.6
436.32809	2.2
451.31854	2.0
453.33636	17.7
454.33792	1.9
469.33051	4.5
470.33633	2.2
471.34662	16.7
472.34973	2.5
493.33472	1.5
543.34601	3.8
561.35895	11.9
562.35516	2.0
579.36847	5.9
597.38556	1.2
723.40564	2.2
741.41998	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01874	3.5
55.05513	19.9
57.03447	11.1
65.03930	1.7
67.05508	23.7
69.03419	3.8
69.07063	6.2
71.05001	6.2
75.22148	1.1
76.86924	1.4
79.05493	29.4
81.03423	56.6
81.07063	26.1
83.04990	6.1
83.08618	18.1
85.02901	3.4
85.06549	2.0
91.05484	22.3
91.06008	2.4
93.07042	16.9
95.04966	21.8
95.08594	10.7
97.02929	1.9
97.06532	3.9
97.10176	16.7
98.23380	2.6
105.07017	10.7
107.04959	21.0
107.08584	14.1
109.06527	17.9
109.10162	5.3
111.04497	3.0
111.08081	6.1
113.05999	1.5
117.07030	4.8
119.04939	1.4
119.08572	13.0
121.06516	18.4
121.10138	10.5
123.04453	1.6
123.08080	6.2
125.09641	12.6
129.07011	7.9
131.04955	1.9
131.08563	14.6
133.06496	5.4
133.10118	6.8
135.08044	8.4
139.11220	2.3
141.07018	2.6
143.08562	3.3
145.06465	6.7
145.10135	6.2
147.04413	3.8
147.08064	5.9
147.11678	6.1
149.09630	5.3
153.09120	4.7
155.08585	1.6
157.10146	10.5
159.11653	1.6
161.06047	1.4
163.11209	5.5
165.12755	1.4
167.10710	1.7
169.10075	1.5
171.08035	2.1
171.10204	2.6
171.11626	3.1
173.09711	1.9
173.13277	1.7
175.11212	5.3
185.09419	1.5
187.11240	1.9
187.14809	1.5
189.11208	5.3
189.12772	1.8
191.10646	1.3
191.14352	4.3
193.12248	17.3
195.11700	1.6
197.09743	1.2
197.13281	1.9
205.12154	2.7
211.11104	1.5
211.13202	2.1
213.12631	1.9
215.14429	2.5
217.12238	1.7
219.13800	12.8
223.13141	2.1
227.12619	2.8
231.13788	1.6
233.15366	3.7
249.14879	1.7
255.13866	1.6
259.13205	1.6
259.15442	10.0
267.15912	38.7
268.16275	3.4
273.14871	5.4
283.15109	1.6
293.17639	7.0
339.23184	3.9
349.21622	6.6
357.24338	2.5
367.22733	16.5
368.22827	1.7
385.23721	23.7
386.24374	1.8
395.12006	1.3
403.24957	8.5
433.25925	1.7
441.26392	8.5
451.26910	2.7
459.27435	100.0
460.27811	12.2
477.28500	96.8
477.33984	1.3
478.28915	8.7
491.30322	8.2
495.29413	9.7
496.29919	1.8
501.28497	3.9
509.31253	3.1
557.39606	1.3
567.29407	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.9
55.01866	3.3
55.05511	26.0
57.03437	19.0
57.07090	1.5
61.02915	4.1
62.65511	1.2
65.03926	2.9
66.78551	1.3
67.05504	71.9
68.05840	1.4
69.03413	5.0
69.07067	17.2
69.32095	6.6
71.04984	4.5
79.05492	49.2
81.03416	61.8
81.07054	70.8
82.07380	1.9
83.04981	17.7
83.08617	25.0
85.02901	26.0
85.06537	1.9
86.09710	2.7
91.03958	2.5
91.05481	47.5
92.05814	1.3
93.07040	57.3
95.04965	23.8
95.08604	40.9
97.02875	5.3
97.06535	5.7
97.10139	6.3
99.08074	2.5
105.03407	3.2
105.04502	1.9
105.07027	34.4
107.04945	5.4
107.08591	24.8
109.06526	6.0
109.10146	17.9
111.04451	2.6
111.08064	9.7
115.05389	1.3
117.07007	5.9
119.07781	1.8
119.08581	27.0
121.06489	2.4
121.10129	23.6
122.10455	1.4
123.08058	3.5
123.11683	5.4
123.62083	1.1
124.99940	1.3
125.09620	3.5
129.07001	11.2
131.08568	19.6
133.06465	3.2
133.10133	16.5
135.11688	12.3
137.09612	1.9
137.13199	1.9
142.07764	3.5
145.10115	8.5
146.10451	1.5
147.08008	5.0
147.11691	16.8
149.09636	5.1
149.13246	4.5
157.10127	15.5
159.11681	5.6
161.13243	3.6
162.79437	1.2
163.11108	1.2
163.14775	1.5
165.12769	2.9
173.13277	3.1
175.11192	12.4
175.14856	2.1
176.11429	1.4
179.46333	1.1
184.07339	10.1
185.07645	1.8
187.14806	3.3
193.12236	40.2
197.13089	1.3
199.14819	3.3
201.16400	2.2
211.13281	57.1
212.13707	2.4
243.21021	3.1
255.55902	1.2
261.22079	13.0
267.15906	14.3
268.16162	1.4
285.16956	57.5
286.17252	3.5
317.24719	2.9
335.25787	91.3
336.26190	8.5
435.32477	2.6
453.33884	1.8
471.34406	1.5
515.83728	1.2
527.37231	11.7
528.37524	1.5
545.38342	100.0
546.38776	14.0
577.36597	1.5
757.21167	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.2
55.01866	3.9
55.05273	3.4
55.05513	36.3
57.03442	27.8
57.07083	2.1
59.05003	2.4
61.02917	4.6
65.03938	5.5
67.05508	82.3
69.03423	7.7
69.07066	22.3
69.18269	15.4
71.04984	5.9
73.02891	2.2
73.42909	1.6
79.05492	75.1
80.05814	3.4
81.03420	85.7
81.07056	93.5
83.04984	24.7
83.08618	34.6
83.44065	1.9
85.02909	32.9
85.06527	3.9
91.05482	64.5
93.07042	69.0
93.07629	3.7
95.04967	33.8
95.08607	53.5
97.02889	7.2
97.06530	7.7
97.10155	7.2
98.23188	6.7
99.08064	2.7
105.07034	49.1
107.04948	10.9
107.08604	27.1
109.06527	9.8
109.10137	19.8
111.08099	12.9
113.05968	3.1
115.05463	2.2
117.07005	7.1
119.08582	32.3
121.06532	2.1
121.10144	29.4
123.08063	4.6
123.11658	5.7
129.07037	15.1
131.07678	2.8
131.08575	26.4
133.06499	4.0
133.10123	22.3
135.11696	8.5
137.09642	2.4
137.13231	2.7
142.07785	4.3
145.10080	11.8
147.08008	4.2
147.11708	21.1
149.09633	8.6
149.13278	6.7
151.26108	2.1
157.10132	14.9
159.11650	5.4
161.13206	3.4
173.13197	4.1
175.11212	17.9
193.12238	53.3
193.14018	2.7
197.49838	2.3
202.26151	2.0
211.13281	92.5
212.13547	3.1
221.13350	2.1
261.22168	11.3
267.15912	18.0
285.16965	90.9
286.17258	5.3
317.24692	2.6
335.25800	85.8
336.25946	4.8
435.32465	3.0
453.33334	2.7
464.84222	2.3
527.37219	11.8
545.38385	100.0
546.38843	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01867	1.6
55.05508	17.6
57.03192	1.0
57.03442	10.4
57.07074	1.8
59.04990	1.0
61.02916	2.2
61.65084	0.8
65.03933	2.2
67.05505	43.1
68.05828	1.1
69.03427	2.9
69.05989	5.8
69.06740	1.0
69.07066	11.3
71.04996	4.6
79.05492	34.6
80.05836	1.6
81.03417	38.2
81.07053	44.1
82.07392	1.7
83.04977	9.1
83.08614	15.9
85.02902	16.6
85.06552	2.2
86.09715	1.1
91.04903	0.9
91.05480	23.8
93.07041	33.0
94.07378	1.8
95.04971	16.8
95.08606	30.1
96.08926	1.3
97.02888	2.7
97.06531	3.1
97.10180	3.1
101.85577	0.7
102.29077	0.7
105.03379	0.8
105.07027	17.7
107.04967	3.1
107.08595	17.7
109.06524	4.6
109.10150	11.4
111.04456	2.1
111.08077	6.1
113.06020	1.8
115.05482	0.8
117.07009	3.6
119.08575	15.2
121.06516	0.7
121.10149	17.3
123.08082	2.5
123.11744	3.5
125.09592	1.4
127.03922	1.4
129.05502	1.1
129.06985	8.2
131.08568	9.0
133.06490	1.9
133.10132	10.3
135.11699	8.1
137.09619	1.6
141.64432	0.8
142.07811	1.5
143.08531	1.1
145.10117	5.1
147.08051	1.1
147.11674	10.3
149.09641	4.9
149.13246	3.7
157.10124	7.6
159.11719	3.0
161.13310	2.1
163.11189	2.5
163.14882	1.2
164.11526	0.8
165.12746	2.2
173.13272	2.6
175.11186	9.0
175.14781	1.3
178.43492	0.7
184.07277	3.4
187.14896	1.6
193.08488	0.7
193.12228	26.0
201.16371	0.9
211.13293	37.8
212.13675	1.0
227.12811	3.9
228.13104	1.8
243.21118	1.8
249.14925	0.9
259.20947	0.8
261.22131	6.1
267.15854	10.4
283.15469	1.8
284.15710	1.7
285.16986	34.2
286.17123	2.0
317.24918	1.0
335.25790	70.1
336.26157	8.3
337.26572	2.4
435.32523	1.8
453.33786	1.1
471.34406	1.4
502.46872	0.9
527.37390	7.5
528.37488	1.1
544.37354	1.9
545.38336	100.0
546.38593	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.3
55.01866	2.8
55.05515	22.6
57.03448	13.2
57.07063	2.7
58.77823	2.3
65.03937	2.7
67.05509	52.2
68.05840	3.3
69.03422	3.5
69.07072	24.9
71.04997	3.6
71.08642	3.7
77.20069	2.2
79.05499	31.4
81.03442	2.3
81.07061	65.3
83.04985	6.0
83.08607	13.9
85.02894	3.2
91.05463	18.6
93.07043	40.5
94.07359	2.6
95.04974	8.0
95.08607	52.1
96.08945	2.5
97.02876	4.9
97.06561	5.7
97.10180	4.6
99.04446	3.9
105.03367	2.9
105.07018	12.8
107.04950	6.2
107.08598	27.0
109.06551	2.9
109.10155	18.5
117.07016	7.8
119.08572	16.2
121.06538	5.6
121.10127	14.6
123.11722	4.1
131.08556	3.1
133.10161	8.5
133.63391	2.2
135.08047	2.7
135.11702	35.8
145.10118	21.2
147.11685	3.8
151.39679	2.1
157.10197	3.1
159.87921	2.2
161.13239	2.8
163.11197	42.1
163.14885	3.0
181.12318	6.1
184.07330	3.8
227.12769	53.7
283.15414	47.5
285.16833	4.9
335.25803	8.2
337.27371	100.0
338.27771	7.6
433.68280	2.5
545.38397	81.5
546.38855	15.7
742.44208	5.4
743.47839	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01867	1.6
55.05508	17.6
57.03192	1.0
57.03442	10.4
57.07074	1.8
59.04990	1.0
61.02916	2.2
61.65084	0.8
65.03933	2.2
67.05505	43.1
68.05828	1.1
69.03427	2.9
69.05989	5.8
69.06740	1.0
69.07066	11.3
71.04996	4.6
79.05492	34.6
80.05836	1.6
81.03417	38.2
81.07053	44.1
82.07392	1.7
83.04977	9.1
83.08614	15.9
85.02902	16.6
85.06552	2.2
86.09715	1.1
91.04903	0.9
91.05480	23.8
93.07041	33.0
94.07378	1.8
95.04971	16.8
95.08606	30.1
96.08926	1.3
97.02888	2.7
97.06531	3.1
97.10180	3.1
101.85577	0.7
102.29077	0.7
105.03379	0.8
105.07027	17.7
107.04967	3.1
107.08595	17.7
109.06524	4.6
109.10150	11.4
111.04456	2.1
111.08077	6.1
113.06020	1.8
115.05482	0.8
117.07009	3.6
119.08575	15.2
121.06516	0.7
121.10149	17.3
123.08082	2.5
123.11744	3.5
125.09592	1.4
127.03922	1.4
129.05502	1.1
129.06985	8.2
131.08568	9.0
133.06490	1.9
133.10132	10.3
135.11699	8.1
137.09619	1.6
141.64432	0.8
142.07811	1.5
143.08531	1.1
145.10117	5.1
147.08051	1.1
147.11674	10.3
149.09641	4.9
149.13246	3.7
157.10124	7.6
159.11719	3.0
161.13310	2.1
163.11189	2.5
163.14882	1.2
164.11526	0.8
165.12746	2.2
173.13272	2.6
175.11186	9.0
175.14781	1.3
178.43492	0.7
184.07277	3.4
187.14896	1.6
193.08488	0.7
193.12228	26.0
201.16371	0.9
211.13293	37.8
212.13675	1.0
227.12811	3.9
228.13104	1.8
243.21118	1.8
249.14925	0.9
259.20947	0.8
261.22131	6.1
267.15854	10.4
283.15469	1.8
284.15710	1.7
285.16986	34.2
286.17123	2.0
317.24918	1.0
335.25790	70.1
336.26157	8.3
337.26572	2.4
435.32523	1.8
453.33786	1.1
471.34406	1.4
502.46872	0.9
527.37390	7.5
528.37488	1.1
544.37354	1.9
545.38336	100.0
546.38593	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2031
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
53.03936	0.3
55.01859	0.3
55.05510	0.4
57.03436	2.8
61.02903	0.8
67.01840	0.2
68.99779	0.9
69.03431	2.7
69.49203	0.2
71.01342	0.6
71.04990	10.2
71.30781	0.3
72.05326	0.4
73.02917	2.8
75.04488	1.0
76.24731	0.2
81.03406	0.7
83.04981	1.5
84.20670	0.2
85.02905	15.7
87.04455	0.4
91.03933	0.4
93.03406	0.5
95.04973	0.5
95.05556	0.2
97.02273	0.3
97.02892	4.2
99.04431	0.3
103.03932	0.2
107.04987	0.5
109.02841	0.5
111.00794	0.7
111.04456	1.6
113.05972	0.3
113.79861	0.2
115.03936	1.7
121.02864	0.9
123.04439	1.7
124.04787	0.4
125.04948	0.3
127.03887	1.1
129.05470	3.2
133.05008	0.4
135.04387	1.7
136.04727	0.6
137.02335	4.1
138.02647	0.5
139.02850	0.2
139.03902	0.9
140.04201	0.3
145.04968	0.5
147.04417	0.4
147.06485	1.5
149.02330	0.3
151.03870	0.5
153.01816	3.1
153.05458	0.3
161.05978	0.3
163.03920	2.9
163.05945	0.2
164.04233	1.2
165.00558	0.3
165.01810	1.7
166.02791	0.2
173.06062	0.3
179.03426	2.8
180.03671	1.0
181.03844	0.3
183.02873	0.8
183.04295	0.2
187.03813	0.5
195.02859	0.3
199.06041	0.2
201.05438	1.6
203.03279	0.3
205.05051	0.3
211.03905	0.2
215.03278	0.2
219.06512	0.4
225.07649	1.0
229.04942	3.7
230.05286	0.2
243.08617	0.3
247.05972	1.3
248.06349	0.7
249.06538	0.4
257.04434	2.8
274.04745	0.8
285.03934	1.0
289.07034	1.2
290.07391	1.3
291.07617	0.8
303.04971	100.0
304.00003	0.3
304.05328	7.5
311.05261	0.3
313.07080	0.2
315.04874	0.7
327.04849	0.3
341.06354	0.3
345.05930	1.3
369.06149	0.3
409.09067	0.3
429.08286	0.2
434.09103	0.3
435.10165	0.3
447.09033	0.4
451.10019	0.3
452.10455	0.6
453.10449	0.4
465.10242	1.7
573.12921	0.6
606.19135	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01880	0.6
55.05511	1.4
57.03436	1.7
57.07087	0.5
59.04016	0.4
61.02927	5.2
67.05174	0.6
67.05506	5.5
69.03431	2.8
69.07063	1.3
71.04981	0.8
73.02921	3.6
79.02655	0.3
79.05489	5.0
81.03418	1.7
81.07056	5.5
83.08613	0.6
85.02897	5.0
87.04456	0.6
91.03946	2.3
91.05474	3.5
93.07044	4.4
95.04969	1.0
95.08610	3.7
96.21766	0.4
97.02896	4.7
98.22673	1.3
98.23361	0.8
99.04436	0.8
101.02378	1.8
105.07021	3.1
107.08583	2.1
109.02878	0.6
109.10173	1.1
117.07044	0.7
119.08608	2.2
121.10169	1.4
123.11720	0.4
127.03917	1.3
129.07034	0.7
131.08591	0.8
133.10176	1.2
135.08087	0.4
135.11723	0.6
145.10133	0.9
147.11694	1.0
161.13235	0.7
171.11670	0.9
184.07306	0.4
185.04155	0.5
193.73256	0.3
243.08421	1.9
247.13098	1.2
465.21075	5.5
466.21460	0.6
519.29266	7.1
520.29755	0.9
743.43323	100.0
744.43652	19.4
770.10602	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.9
55.01861	2.1
55.05515	4.8
57.03425	3.6
57.07068	1.5
60.08162	0.9
61.02913	2.2
65.03936	1.0
67.05508	9.3
69.03426	22.4
69.07069	4.1
71.04998	5.8
71.29987	0.9
73.02927	5.1
78.61518	0.6
79.05488	5.8
81.03418	27.7
81.07056	14.9
83.01349	1.0
83.04986	1.7
83.08607	2.1
85.02903	61.4
86.03250	0.7
86.09704	2.3
87.04461	1.6
91.05477	6.8
93.07043	14.7
94.61241	0.7
95.04977	3.0
95.08605	29.9
97.02890	40.4
97.06542	1.4
97.10154	0.9
99.04453	48.5
100.04785	0.7
103.03939	50.0
105.07026	16.9
107.08589	12.8
108.78257	0.6
109.02876	28.1
109.06541	1.3
109.09443	1.3
109.10154	18.7
111.04414	1.5
111.08077	1.8
113.06020	1.7
115.03909	1.9
115.05443	0.7
117.07010	3.8
119.08578	17.1
121.06474	1.1
121.10144	12.0
123.08096	3.8
123.11719	4.7
124.99998	1.7
125.09577	1.0
127.03912	100.0
128.04251	2.4
129.06969	0.9
130.07843	1.0
131.08578	6.2
133.10138	17.7
135.08025	1.3
135.11664	6.7
137.09631	1.1
141.09081	2.2
142.07777	1.6
143.08548	3.3
144.09315	0.9
145.04955	42.5
145.10112	13.8
147.08087	1.4
147.11676	13.6
147.12773	1.3
149.13239	3.4
152.87901	0.6
155.08618	1.8
156.09381	0.9
157.10146	4.8
158.10863	1.0
159.11705	13.7
160.12355	0.7
161.09605	1.6
161.13248	9.6
163.06023	10.5
163.14810	3.4
169.04971	2.4
169.10115	2.4
171.11629	4.5
173.09578	1.3
173.13246	7.4
174.13733	0.8
175.11249	1.2
175.14801	8.7
177.16391	2.0
181.10127	1.4
183.11716	2.5
184.07321	5.8
185.07800	0.9
185.13264	4.4
187.06024	10.9
187.14792	7.8
188.15257	1.0
189.16380	10.1
191.17972	2.0
195.11681	0.9
197.13225	3.3
199.06015	1.5
199.11194	1.0
199.14813	3.5
201.13014	0.8
201.16403	15.5
202.16737	0.9
203.14218	0.8
203.17969	13.3
204.18195	0.8
205.07080	2.7
207.11696	0.9
209.13330	1.3
211.14894	1.8
213.12740	0.7
213.16360	3.2
215.14423	0.9
215.17934	6.2
217.19493	1.9
221.13271	0.8
221.15308	1.4
225.16379	1.8
227.17946	2.1
229.19423	1.1
231.17390	1.1
233.15395	2.1
235.16975	1.8
239.18013	0.8
241.19484	2.1
247.16943	2.6
253.07053	1.6
253.19498	1.6
255.21124	0.8
261.18655	1.6
271.08105	8.3
279.21219	0.7
281.22757	1.6
289.09189	2.7
296.25021	0.7
301.21570	0.8
307.10132	1.7
353.24408	0.7
383.76553	0.6
391.33472	0.7
393.27414	1.0
419.33093	2.6
435.32584	4.5
437.34100	27.9
438.34448	4.0
449.34042	1.0
461.34097	1.3
473.33853	0.9
509.26944	0.6
509.34674	0.9
527.34869	1.7
537.72235	0.7
545.36511	1.3
563.36957	0.9
581.37695	0.9
707.41223	1.9
725.41675	2.3
743.43536	6.0
751.19843	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78059	1.6
55.05514	1.9
66.03352	1.6
67.05513	4.4
69.07074	3.1
70.07379	1.6
78.72989	1.7
79.05476	2.3
81.07059	9.7
81.63536	1.5
86.09683	1.7
87.72546	1.5
91.05479	2.8
93.07061	5.2
95.08603	11.8
96.27470	1.5
97.10160	1.6
99.08107	1.5
105.07037	8.5
107.08600	8.0
109.10178	5.9
109.43671	1.4
117.07047	6.7
119.07822	2.1
119.08574	10.7
121.06493	1.6
121.10146	15.6
123.08097	7.9
131.08585	4.8
133.10155	5.3
135.11739	3.5
137.09616	4.6
138.57178	1.5
143.08603	2.3
145.10124	17.0
147.11707	2.1
149.13290	6.0
154.43614	1.5
157.10133	2.9
159.11699	15.9
161.09561	1.7
161.13232	4.2
167.07095	4.7
173.13312	4.5
184.05914	1.6
184.07361	10.0
189.09064	2.2
191.18015	5.3
201.14529	2.1
201.16382	37.3
203.17932	2.3
207.10190	3.7
211.07602	2.5
219.17430	51.0
220.17830	3.5
221.11705	11.9
225.09023	2.4
231.78603	1.5
235.13315	4.0
237.05652	1.8
239.07094	3.5
243.06421	2.1
253.08704	3.1
255.06586	2.0
257.08136	1.7
263.10815	1.9
265.08673	2.2
267.06589	4.5
267.10223	2.1
280.10950	4.3
281.08133	4.9
281.11392	2.8
285.07730	1.7
291.10187	3.1
295.13391	4.5
298.08447	2.2
299.09241	6.9
300.09894	2.0
303.08432	1.9
304.09250	3.2
308.10443	2.7
309.11313	2.8
312.13574	2.9
313.10657	8.7
314.11221	2.1
317.10052	2.4
318.11166	4.5
319.11899	2.3
323.12875	10.0
324.13446	2.7
325.10580	2.2
327.16278	2.6
331.11746	4.6
343.11661	1.9
345.13290	5.7
355.15396	20.8
356.16159	7.7
385.16495	8.2
387.17996	100.0
388.18347	12.8
454.03659	1.8
540.29657	3.5
587.33606	24.6
588.33893	3.9
605.34833	3.8
744.48193	5.4
745.47070	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.01865	7.9
55.05514	26.5
57.03440	19.2
57.07069	3.3
60.08144	2.0
61.02931	3.3
63.59990	1.7
65.03938	2.3
67.05506	80.3
68.05841	2.8
69.03426	6.3
69.07069	39.7
69.30054	7.5
69.30478	5.6
71.01345	4.9
71.04993	7.3
79.05492	81.5
81.03422	17.0
81.07056	72.4
83.04986	15.8
83.08614	14.0
85.02886	3.3
85.06536	6.4
86.09710	17.9
91.05481	46.9
93.07043	100.0
94.07378	2.5
95.04964	14.9
95.08612	27.2
97.02876	4.3
97.06525	23.2
97.10161	18.5
98.98453	2.1
99.04456	2.7
99.08104	2.8
104.10724	2.3
105.07028	30.8
107.04950	13.4
107.08597	62.9
109.06522	4.8
109.10162	14.0
111.04422	3.1
111.08073	7.2
117.07018	16.3
119.08556	20.0
121.06510	5.0
121.10139	19.3
121.93387	1.8
123.08070	2.9
123.11693	2.9
125.00012	10.3
125.09627	7.0
127.03896	2.6
128.06285	2.0
129.06976	3.5
131.08560	16.7
133.10114	20.6
135.08092	4.6
135.10664	3.2
135.11693	65.1
136.11987	2.5
137.09608	3.5
139.07539	1.9
143.08542	2.4
145.10115	26.3
147.11700	8.8
149.09621	12.9
149.13248	8.6
151.11174	2.4
155.08571	3.7
157.10098	5.1
159.11687	9.5
161.09575	2.1
161.13196	4.1
163.11169	17.6
165.12692	2.1
169.10155	3.1
171.11699	3.1
173.13246	4.3
177.12729	5.1
179.14272	2.4
181.12224	13.6
183.11693	3.3
184.07333	47.2
187.11142	1.9
189.11163	5.0
195.13762	4.9
227.12791	15.6
239.17900	5.0
255.15912	91.4
256.16254	5.2
257.18982	12.3
267.09537	1.9
269.17380	13.3
275.20032	37.3
276.20438	2.0
293.21014	3.4
298.81006	1.8
331.22507	2.1
349.23749	22.5
350.24042	2.0
409.25787	2.9
425.25089	5.2
435.27377	26.8
436.27875	5.2
449.28967	83.9
450.29172	8.7
455.30936	1.9
529.35162	43.9
530.35400	5.4
547.36011	6.8
588.59631	1.9
593.32367	2.7
726.43048	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.01865	7.9
55.05514	26.5
57.03440	19.2
57.07069	3.3
60.08144	2.0
61.02931	3.3
63.59990	1.7
65.03938	2.3
67.05506	80.3
68.05841	2.8
69.03426	6.3
69.07069	39.7
69.30054	7.5
69.30478	5.6
71.01345	4.9
71.04993	7.3
79.05492	81.5
81.03422	17.0
81.07056	72.4
83.04986	15.8
83.08614	14.0
85.02886	3.3
85.06536	6.4
86.09710	17.9
91.05481	46.9
93.07043	100.0
94.07378	2.5
95.04964	14.9
95.08612	27.2
97.02876	4.3
97.06525	23.2
97.10161	18.5
98.98453	2.1
99.04456	2.7
99.08104	2.8
104.10724	2.3
105.07028	30.8
107.04950	13.4
107.08597	62.9
109.06522	4.8
109.10162	14.0
111.04422	3.1
111.08073	7.2
117.07018	16.3
119.08556	20.0
121.06510	5.0
121.10139	19.3
121.93387	1.8
123.08070	2.9
123.11693	2.9
125.00012	10.3
125.09627	7.0
127.03896	2.6
128.06285	2.0
129.06976	3.5
131.08560	16.7
133.10114	20.6
135.08092	4.6
135.10664	3.2
135.11693	65.1
136.11987	2.5
137.09608	3.5
139.07539	1.9
143.08542	2.4
145.10115	26.3
147.11700	8.8
149.09621	12.9
149.13248	8.6
151.11174	2.4
155.08571	3.7
157.10098	5.1
159.11687	9.5
161.09575	2.1
161.13196	4.1
163.11169	17.6
165.12692	2.1
169.10155	3.1
171.11699	3.1
173.13246	4.3
177.12729	5.1
179.14272	2.4
181.12224	13.6
183.11693	3.3
184.07333	47.2
187.11142	1.9
189.11163	5.0
195.13762	4.9
227.12791	15.6
239.17900	5.0
255.15912	91.4
256.16254	5.2
257.18982	12.3
267.09537	1.9
269.17380	13.3
275.20032	37.3
276.20438	2.0
293.21014	3.4
298.81006	1.8
331.22507	2.1
349.23749	22.5
350.24042	2.0
409.25787	2.9
425.25089	5.2
435.27377	26.8
436.27875	5.2
449.28967	83.9
450.29172	8.7
455.30936	1.9
529.35162	43.9
530.35400	5.4
547.36011	6.8
588.59631	1.9
593.32367	2.7
726.43048	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10566	1.7
53.03941	7.0
55.01868	7.7
55.05512	23.2
57.03435	18.3
60.08161	2.9
61.02913	4.7
65.03941	1.6
66.18401	1.5
67.05505	65.4
69.03429	4.5
69.07069	25.0
71.01347	4.0
71.04980	5.2
71.07374	2.0
71.30765	2.0
73.02924	1.8
74.74347	1.6
79.02985	1.5
79.05492	62.9
80.05754	1.9
81.03428	10.7
81.07056	59.8
83.04969	9.6
83.08621	11.5
85.02899	4.7
85.06532	5.2
86.09702	10.8
91.05480	36.0
93.07044	77.0
95.04959	9.7
95.08612	21.9
97.02878	5.1
97.06538	19.1
97.10151	11.3
99.04411	1.8
99.08102	2.8
105.07040	21.9
107.04948	6.6
107.08590	44.0
109.06528	6.1
109.10143	10.3
111.08062	4.2
114.30463	1.7
117.07024	11.0
119.08584	16.8
121.06512	7.2
121.10147	14.3
123.08095	2.0
123.11700	2.1
124.99990	6.9
125.09664	4.8
129.06993	3.1
131.08577	12.5
133.10136	14.3
135.08049	3.6
135.11693	48.9
137.09631	2.5
143.08554	2.2
145.10144	19.5
147.11708	5.5
149.09613	8.9
149.13248	8.1
153.12694	2.0
159.11679	7.7
161.09592	2.3
161.13326	2.5
163.11198	13.7
169.10139	1.8
171.11740	2.3
173.13206	2.2
177.12706	3.1
181.12244	10.3
184.07350	40.6
187.11247	2.0
195.13800	7.0
239.17993	2.0
255.15921	72.4
256.16299	2.6
257.19031	6.2
268.08072	1.7
269.17465	18.5
275.20044	21.1
349.23773	11.9
366.07864	2.0
435.27365	21.8
436.27670	2.0
449.28967	100.0
450.29163	10.2
511.34174	2.1
529.35040	19.1
530.35150	4.6
547.35999	6.5
593.33160	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.0
55.01867	1.2
55.05512	13.9
57.03437	6.8
57.07090	1.6
59.04990	1.9
61.02916	3.7
65.03936	2.7
67.05505	98.8
68.05846	2.1
68.51263	0.9
69.03424	2.0
69.06727	1.2
69.07069	13.5
70.56647	2.3
71.04995	20.5
73.02907	0.9
79.05495	35.2
79.05962	1.7
81.03411	2.2
81.07059	40.6
82.07411	1.1
83.04968	3.7
83.08620	6.8
85.02905	3.5
85.06529	2.6
86.09692	1.0
87.04411	1.1
91.05482	25.7
93.07044	42.6
94.07356	1.0
95.04949	4.2
95.08609	29.5
97.02882	1.7
97.06532	4.8
97.10144	2.8
105.04514	1.1
105.07027	11.0
107.08588	19.1
109.06483	1.3
109.10160	60.1
110.10475	2.9
111.08082	3.0
117.07016	3.6
119.08572	16.3
121.10143	16.6
123.08052	1.7
123.11726	2.0
124.99946	1.6
125.09606	1.3
129.06990	1.3
131.08582	6.1
133.10118	6.6
135.11684	11.9
137.09624	9.8
138.09950	1.1
139.11192	1.2
145.10139	6.7
147.11662	4.2
149.13297	2.9
151.11223	1.1
155.10669	2.9
157.10104	1.7
159.11691	3.9
161.13286	2.6
163.11177	3.8
163.44350	0.9
169.12225	1.4
173.11726	6.4
173.13284	3.2
181.12190	1.7
184.07310	4.6
187.13251	1.2
187.14790	1.3
211.13138	1.7
213.14749	1.1
224.95590	0.9
243.16005	1.2
255.15918	5.2
261.22083	2.8
287.18503	20.9
288.18753	1.4
317.24655	1.6
327.73337	1.0
335.25812	25.5
336.26270	2.0
337.27328	1.6
361.27560	1.1
412.14050	0.9
423.32587	0.9
471.34592	3.3
486.54047	1.0
489.35727	100.0
490.35986	11.1
503.37796	4.4
503.44400	0.9
515.37244	13.4
547.39923	68.5
548.40277	11.0
611.72461	1.0
652.23999	1.0
744.45306	2.7
745.40723	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01852	3.1
55.05511	24.8
55.70400	2.3
57.03438	16.1
57.07084	4.1
61.02925	6.0
65.03956	3.7
67.05503	54.5
69.03432	4.3
69.07066	20.9
71.04987	5.2
71.32259	2.9
73.02934	3.3
79.05489	28.3
81.03419	41.5
81.07056	60.5
82.07369	1.9
83.04975	13.9
83.08621	21.4
85.02907	23.5
85.06544	2.7
91.03985	2.5
91.05482	33.1
93.07037	18.8
94.07375	3.0
95.01736	2.1
95.04974	17.7
95.08609	38.2
96.08944	2.4
97.02872	6.0
97.06497	6.6
97.10166	8.5
105.03371	3.4
105.07021	24.3
106.07327	2.4
107.04951	6.8
107.08607	13.0
109.06522	3.7
109.10167	15.5
111.08096	4.4
116.41555	2.2
119.08600	19.8
121.10131	13.6
123.11696	6.0
125.09603	2.6
129.06978	7.7
131.08585	10.3
132.08839	2.0
133.10114	13.0
135.11641	3.2
137.13249	2.5
142.07751	3.0
145.10085	3.3
147.11703	12.9
149.09612	3.9
149.13266	2.4
157.10133	8.3
159.11690	2.2
165.12712	3.0
175.11185	7.6
175.14775	2.8
184.07347	5.1
193.12230	24.2
201.16284	2.6
211.13286	45.9
245.22734	2.2
263.23697	4.0
267.15833	12.6
285.16995	43.2
286.17374	4.1
314.55011	2.4
337.27356	88.6
338.27652	3.8
343.33334	2.3
467.18182	2.2
484.37299	2.8
529.39191	15.0
530.38721	4.0
547.39886	100.0
548.40338	13.7
604.66809	2.2
744.45886	9.1
745.40961	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
55.01882	2.7
55.05516	25.5
57.03440	15.5
57.07069	3.2
59.04979	2.3
61.02938	6.2
62.49870	1.0
65.03938	2.9
67.05507	87.7
68.05861	1.7
69.03435	7.4
69.07073	23.6
69.12789	10.6
71.04998	14.0
71.08646	1.8
73.02906	2.8
79.05492	36.6
80.05843	1.6
81.02930	1.9
81.03419	45.1
81.07059	65.9
82.07381	1.4
83.04987	12.3
83.08619	28.1
85.02904	23.6
85.06561	2.6
85.10145	1.2
86.09715	3.9
91.03940	2.7
91.05482	36.4
93.07050	36.2
95.04977	17.0
95.08609	43.6
97.02879	4.9
97.06532	7.4
97.10184	7.1
98.23229	3.6
99.08089	2.2
105.04545	2.1
105.07032	26.0
106.07391	2.0
107.04965	5.1
107.08607	17.0
108.17628	1.1
109.06532	4.7
109.10159	36.0
111.04446	2.9
111.08090	7.4
113.06017	1.4
117.05344	1.3
117.07017	3.4
119.08585	23.1
121.06522	1.7
121.10154	17.3
123.08067	3.2
123.11701	7.1
124.00340	1.3
124.99976	1.3
125.09657	2.1
127.11181	1.3
129.07010	8.8
131.08572	12.9
133.06464	2.5
133.10129	16.1
135.11688	8.2
137.09537	5.6
142.07799	2.8
143.08510	1.7
145.10121	6.4
147.08057	3.5
147.11676	15.6
149.09647	3.4
149.13281	4.0
151.14874	1.3
155.10715	2.7
157.10167	9.4
159.11711	3.3
161.13187	2.1
163.11172	2.4
165.12781	3.3
171.11682	1.7
173.11792	4.2
173.13242	2.4
175.11165	10.1
175.14764	1.2
176.11620	1.2
181.12219	1.3
184.07350	12.9
189.11230	1.4
193.12238	34.1
194.12616	1.8
203.17964	2.0
211.13301	55.7
212.13632	2.8
215.18158	1.2
227.12914	1.8
243.16077	1.9
245.13716	1.6
261.22177	1.6
263.23715	3.2
267.15973	14.9
285.16965	58.2
286.17340	3.2
287.15494	1.8
287.18451	9.8
335.25803	12.4
336.26181	1.8
337.27365	59.5
338.27628	5.5
471.34195	2.0
489.35803	38.7
490.36060	4.3
503.37323	2.8
511.73703	1.3
515.37262	4.4
529.38770	10.1
530.39246	1.4
547.39923	100.0
548.40424	15.5
744.45850	20.0
745.41577	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.0
55.05498	17.3
57.03439	4.4
57.07070	5.4
61.02923	3.7
67.05505	34.8
69.03426	4.1
69.07063	17.7
71.05029	4.1
71.08653	3.4
73.02924	4.3
74.91357	2.7
79.05492	26.4
81.03419	9.8
81.07054	40.7
81.15078	2.6
83.04981	18.3
83.08616	6.0
85.02920	7.8
86.09707	6.0
90.03197	2.9
91.03977	3.9
91.05477	29.6
93.07041	44.4
95.04953	5.1
95.08602	46.9
97.10181	6.8
98.22984	16.7
102.43226	2.6
105.07031	40.4
107.04912	2.6
107.08587	29.8
109.06525	5.2
109.10164	31.0
111.04433	6.3
111.08076	5.6
117.07005	8.1
119.08575	37.4
120.08900	3.0
121.06533	5.3
121.10125	15.4
122.10473	2.9
123.11751	8.0
125.00033	3.7
125.09599	4.2
128.06291	2.9
129.07011	5.5
131.08572	16.0
133.10132	41.4
135.08025	4.0
135.11708	15.9
139.07570	6.3
143.08591	11.4
145.06462	2.9
145.10161	12.6
147.08009	3.1
147.11668	42.4
148.12035	5.1
149.13203	4.8
155.08609	7.6
156.09375	4.2
157.10184	10.7
157.89172	3.0
159.11736	12.0
161.09663	4.2
161.13301	8.6
169.10213	8.8
171.11696	11.3
173.09682	3.6
173.13304	4.8
175.11250	3.4
175.14815	4.4
179.08571	4.6
181.10124	7.1
183.11717	5.3
184.07310	17.8
185.09654	4.3
185.13258	4.3
187.11208	5.0
189.16412	22.0
191.17885	3.2
193.10172	4.2
194.11037	3.7
195.11748	11.5
195.80321	3.0
197.13281	4.8
199.11253	4.0
199.14810	4.1
201.16492	9.5
203.14001	3.0
203.17963	68.0
204.18311	4.5
205.10170	3.4
206.10861	3.8
207.11748	9.3
208.12399	3.7
209.13269	7.1
213.09160	2.5
215.14189	2.6
215.18089	4.0
217.10150	4.7
219.11694	7.6
221.13293	7.7
227.12784	7.2
231.11575	3.8
233.13284	6.8
235.14824	5.5
239.14375	3.9
243.08452	2.9
243.11783	2.8
245.13512	7.8
247.14844	6.3
257.13242	4.3
257.15570	4.8
259.14899	9.7
271.14691	5.2
273.16391	6.6
277.15796	3.0
283.14883	3.4
285.16577	5.4
287.18091	6.2
299.17645	3.8
301.19330	4.5
305.15488	3.6
313.27420	3.9
317.22458	3.6
337.27496	3.0
343.19598	4.0
393.62820	2.8
403.26340	2.9
415.26205	4.4
441.24515	5.3
443.25912	9.2
459.25223	74.5
460.25555	8.5
461.26889	56.3
462.27167	8.2
465.20596	3.5
466.21329	3.7
489.35727	5.1
520.29315	4.7
546.38452	3.6
547.40015	6.4
603.42053	12.5
619.44806	3.9
645.43201	22.2
646.43420	3.3
663.43927	57.6
664.44360	10.3
700.52368	3.2
744.43658	100.0
745.43805	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01886	0.6
55.05507	1.6
57.03431	2.2
61.02926	5.5
61.57912	0.5
67.05505	3.6
69.03431	3.5
69.07051	0.5
69.13645	2.3
69.14061	1.3
70.06583	0.4
71.01346	0.9
71.04996	1.2
73.02911	4.0
79.05485	3.8
79.68734	0.4
81.03413	3.9
81.07059	3.7
83.05002	1.5
83.08638	1.2
85.02900	6.6
86.09695	0.6
87.04491	0.7
91.03977	2.5
91.05470	4.2
93.07037	3.0
95.04979	2.1
95.08603	0.7
97.02892	5.3
97.06562	1.3
99.04480	0.9
101.02406	1.3
105.07014	2.1
107.04955	1.2
107.08595	1.9
109.02901	0.9
109.06565	0.7
109.10174	0.7
111.04484	0.5
111.08128	0.4
113.06048	0.5
119.08582	2.0
121.10149	2.5
127.03952	1.7
129.07027	1.0
131.08594	1.3
133.10161	1.4
135.11716	0.8
137.06010	0.5
145.10153	1.0
147.11726	0.9
149.09657	0.7
157.10165	1.2
163.11244	0.9
175.11295	0.6
180.29161	0.5
184.50240	0.4
185.04280	0.6
191.10771	0.6
193.12302	1.3
211.13245	0.8
241.14191	0.5
243.08389	3.0
251.12680	0.7
267.12033	2.0
283.15250	0.8
283.67178	0.5
299.14706	1.6
441.17444	0.9
457.20547	1.4
469.20462	8.1
470.20834	0.9
485.20062	4.3
517.22522	1.7
667.33124	0.5
685.34326	2.0
713.33356	9.8
714.34131	1.2
727.34802	1.0
745.36121	100.0
746.36426	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
55.05500	1.4
57.03428	3.1
57.07067	0.8
61.02924	5.3
63.71716	0.6
67.05499	3.0
68.64072	0.6
69.03432	2.3
69.07071	1.4
71.05000	1.4
73.02915	3.2
79.05502	2.3
81.03412	2.8
81.07055	2.3
83.01087	0.7
83.05000	1.1
83.08632	1.1
85.02895	6.0
85.14314	0.5
89.54519	0.6
91.03976	4.2
91.05466	2.7
93.07059	1.8
95.01069	0.7
95.04954	1.5
95.08618	0.9
97.02888	5.3
97.06548	0.8
98.22601	1.3
99.04456	1.4
101.02372	1.5
105.07035	1.2
107.04990	0.7
107.08618	1.5
109.02856	0.6
109.10155	1.3
111.08129	0.8
115.03914	0.7
116.39266	0.8
119.08619	1.4
121.10138	2.1
123.04186	0.8
127.03938	2.2
129.05504	2.4
131.08533	1.4
133.10159	1.4
147.11717	1.2
149.09641	1.3
175.11168	0.7
181.04831	1.3
185.04231	5.1
193.12352	1.7
199.05801	1.3
201.03789	1.6
202.21698	1.0
203.05286	0.8
207.13583	1.0
211.13206	1.4
216.21049	0.6
241.06842	1.2
243.08382	4.8
250.69991	0.7
251.12640	1.5
265.14175	1.2
267.15915	0.8
283.15109	9.6
284.15628	0.7
301.08917	19.2
302.09314	0.7
309.16687	4.2
315.10352	4.0
323.18280	4.1
339.17990	1.4
341.12073	1.2
355.13632	1.0
357.15228	1.3
373.11026	6.8
381.18921	8.2
383.16806	3.3
385.18347	10.4
387.12784	1.1
395.20724	1.1
399.20071	2.8
401.14609	1.2
413.17706	1.3
427.19373	8.1
429.17270	1.5
437.24957	0.7
439.19016	1.2
441.21127	1.9
443.19174	2.0
444.19446	0.7
452.31308	0.6
457.20685	1.6
465.28033	4.1
467.18729	1.2
469.20297	5.2
473.20032	0.8
483.21954	1.1
483.29001	0.7
485.20126	1.0
499.21194	4.5
501.23267	21.0
502.23444	2.2
511.29025	2.0
516.21582	1.3
517.22809	2.3
529.22491	17.2
530.22882	1.5
543.25281	0.8
545.22089	2.2
567.32013	0.8
573.25067	13.4
574.25409	1.9
587.26587	2.9
601.28595	3.6
602.28235	0.9
613.31732	3.4
615.29944	1.8
629.32086	1.2
641.31439	12.5
642.31970	1.8
643.32849	8.8
644.33337	1.9
657.34424	1.0
683.36365	1.8
685.34521	1.4
699.35480	1.4
711.36163	0.7
727.35046	3.6
728.35742	1.2
745.36017	100.0
746.04895	0.8
746.36414	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
53.61716	0.4
55.05512	1.7
57.03434	2.6
61.02930	4.5
67.05506	3.1
69.03423	2.7
69.06568	4.4
69.07072	0.7
71.01363	0.6
71.04995	1.5
73.02918	4.0
79.05493	3.7
81.03415	4.1
81.07058	3.7
83.04987	1.6
83.08625	1.0
85.02900	5.8
85.06547	0.5
86.01787	0.4
87.04463	0.6
91.03948	3.1
91.05488	3.5
93.07044	4.1
95.04966	2.3
95.08621	1.5
97.02895	4.5
97.06542	1.3
98.23291	0.8
99.04465	1.1
101.02386	2.0
105.07050	2.3
107.04944	1.0
107.08603	1.3
109.02892	0.7
109.06575	0.6
109.10210	1.3
117.07072	0.5
119.08605	1.7
121.10150	3.5
123.08094	0.6
125.09599	0.4
127.03937	1.6
129.07031	0.8
131.08560	2.2
133.10167	1.1
137.05997	0.8
139.11218	0.6
145.10159	0.9
145.35817	0.6
147.11743	0.7
149.09660	1.3
151.03969	0.8
157.10167	0.6
163.11186	0.6
167.07179	0.5
167.10721	0.6
175.11224	0.6
193.12346	1.3
199.62012	0.5
203.05376	0.6
206.76083	0.5
209.11546	0.5
211.13347	0.6
243.08391	2.9
255.96010	0.5
267.12115	2.2
283.15515	0.8
299.14847	1.4
307.15344	0.7
427.19437	0.5
443.19110	0.8
457.20648	0.7
469.20398	8.3
469.26477	0.6
470.21127	0.5
485.19949	4.5
501.23450	0.6
517.22534	2.2
541.22394	0.7
649.75189	0.4
685.34399	1.3
713.33557	10.9
714.34070	1.2
727.34723	0.7
745.36133	100.0
746.36469	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	0.3
53.88676	0.3
55.01810	0.4
55.05459	0.6
57.03357	1.5
59.04951	0.4
61.02844	4.2
61.03179	0.6
67.05416	5.5
67.05808	0.6
67.14600	0.3
69.03337	2.3
71.01292	0.5
71.04900	0.8
73.02821	2.2
79.05398	1.3
81.03313	3.5
81.06959	2.2
83.04906	0.7
83.08529	1.1
83.09019	0.4
85.02803	5.4
85.03362	0.5
85.06461	0.4
91.03848	3.2
91.05381	2.1
92.72137	0.3
93.06944	1.1
93.31096	0.3
95.04867	1.3
95.08548	0.6
97.02894	3.5
97.03455	0.3
97.06451	0.4
98.03179	0.3
99.04375	0.7
101.02273	1.7
103.03852	0.3
105.07003	1.4
107.04848	0.4
107.08542	0.6
109.02783	0.8
109.06450	0.4
109.10148	6.1
111.07975	0.7
115.03854	0.3
119.08571	1.4
121.10062	0.4
123.07979	0.3
127.03895	1.5
128.43497	0.3
129.06897	0.7
131.08504	0.5
133.10069	0.7
137.09569	0.4
145.04874	0.3
145.10013	0.3
147.07996	0.3
147.11566	1.2
149.09558	0.4
155.10538	0.6
157.10025	0.8
173.11719	2.3
175.11089	0.5
182.98857	0.3
185.04210	0.4
193.12321	1.4
195.09824	0.8
203.05168	0.6
211.13110	0.8
229.14349	1.3
229.26126	0.4
243.08392	2.9
251.12512	1.8
275.86240	0.3
283.14926	0.5
285.16754	0.5
301.08868	0.8
307.15073	0.9
413.17770	10.5
414.18106	0.8
442.16885	0.4
448.27798	0.5
469.20459	10.1
470.20587	0.7
501.22928	1.3
562.56293	0.3
641.31390	100.0
642.31732	12.7
642.42682	0.4
655.75934	0.3
699.35889	1.1
727.34882	1.7
745.35144	23.7
746.35364	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01872	0.5
55.05519	1.5
57.03438	2.3
57.07067	0.5
60.84338	0.3
61.02929	6.1
67.05507	6.0
69.03427	3.3
69.07069	1.5
71.01366	0.5
71.05006	0.7
73.02919	4.1
79.05499	3.9
81.03410	1.5
81.07058	6.1
83.04984	0.5
83.08624	0.8
85.02908	6.3
86.09711	1.3
87.04417	0.4
89.06047	0.7
91.03961	3.1
91.05485	2.2
93.07043	5.0
95.04961	0.6
95.08610	4.5
97.02893	5.3
98.23407	0.4
99.04472	0.9
101.02361	1.8
105.03410	1.1
105.07039	1.4
107.04940	0.5
107.08584	2.6
109.02878	0.8
109.10178	1.6
115.03938	0.6
117.07037	0.7
119.08578	1.7
121.10173	1.3
123.11745	0.6
125.00034	0.7
127.03924	1.4
131.08586	0.8
133.10172	0.9
135.11693	2.6
145.10101	1.7
147.11708	0.7
149.13377	0.5
159.11742	0.5
163.11186	2.0
173.13281	0.4
184.07367	3.1
185.04222	0.7
201.16403	0.5
219.10062	0.5
227.12799	1.3
243.08412	2.8
249.10997	12.5
250.11449	0.6
270.79016	0.3
271.27426	0.3
305.13696	1.0
313.04382	0.3
335.25925	0.7
467.18967	4.7
468.19427	0.6
504.37656	0.4
519.29303	8.2
520.29639	1.0
583.36102	0.5
683.06183	0.3
745.41266	100.0
746.41614	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01877	1.0
55.05514	2.2
57.03435	2.4
57.07074	0.4
61.02925	7.2
65.03928	0.4
67.05500	6.8
68.05830	0.3
69.03425	4.6
69.07074	1.9
69.38997	1.4
71.01357	0.8
71.05000	1.2
71.28379	0.2
73.02919	5.0
73.03305	0.4
74.98303	0.2
75.04489	0.2
75.43458	0.2
77.03924	0.3
79.05491	5.7
80.96346	0.2
81.03417	2.4
81.07056	6.8
82.35158	0.3
83.01334	0.5
83.04984	1.1
83.08607	1.0
83.90244	0.2
85.02902	6.3
85.06523	0.3
86.09713	0.5
87.04459	0.5
91.03953	4.1
91.05469	3.8
91.06004	0.3
91.54319	0.2
92.05838	0.3
93.01697	0.2
93.07042	6.8
94.07399	0.3
95.04976	1.1
95.08606	5.6
96.08928	0.4
97.02885	5.8
97.03507	0.3
97.06553	0.6
97.10192	0.3
99.04434	1.3
101.02378	2.8
103.03941	0.4
105.07036	1.8
107.04969	0.6
107.08591	3.5
107.89411	0.2
109.02907	0.9
109.06516	0.7
109.10144	2.2
109.10677	0.2
111.04482	0.4
111.27743	0.2
115.03937	0.6
117.07047	0.8
119.08578	2.1
121.06525	0.3
121.10140	2.5
123.08077	0.5
123.11735	0.6
125.00039	0.4
125.09625	0.2
127.03917	1.6
129.05496	0.3
129.07014	0.2
131.08542	1.3
133.10123	1.0
135.08029	0.3
135.11678	2.0
137.09605	0.3
145.04990	0.3
145.10129	1.7
147.11705	0.9
149.13284	0.7
157.10162	0.3
159.11754	0.6
160.11252	0.6
161.13387	0.4
163.11166	1.6
173.09689	0.2
173.13297	0.4
184.07297	1.4
185.04256	0.7
201.16383	0.3
203.05324	0.4
243.08400	1.9
249.11037	1.4
258.09012	0.4
261.22134	0.3
276.21204	0.2
284.97327	0.2
285.16943	0.2
287.18039	0.2
305.13498	0.3
335.25867	1.1
336.26294	0.3
467.18884	4.2
468.19257	0.3
489.36139	0.2
490.36197	0.6
497.31412	0.3
519.29285	10.1
520.29730	1.3
547.39325	0.3
548.40076	0.6
591.57562	0.2
745.41229	100.0
746.41510	18.0
754.89856	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01879	0.6
55.05509	1.4
57.03452	1.4
57.07087	0.5
58.40565	0.2
61.02924	3.6
67.05503	4.2
69.03437	3.1
69.07057	0.9
69.20525	1.4
69.20949	1.0
71.01366	0.6
73.02917	3.2
77.04993	0.3
79.05492	3.5
81.03416	1.8
81.07053	4.3
83.04954	0.5
83.08630	0.9
85.02911	3.6
85.06525	0.4
86.09719	0.4
91.03950	2.5
91.04982	0.3
91.05466	2.4
93.07042	4.1
94.68938	0.3
95.04987	0.7
95.08600	4.4
97.02888	4.0
97.06506	0.4
99.04482	1.1
101.02411	1.7
105.03432	0.5
105.07050	1.4
105.74982	0.3
107.04996	0.4
107.08600	2.9
109.02880	0.5
109.06582	0.4
109.10167	1.3
110.73445	0.3
115.03923	0.6
117.07020	0.6
119.08609	1.0
121.06570	0.5
121.10128	2.0
125.06033	0.3
127.03931	0.8
131.08598	0.4
133.10121	0.8
135.11705	3.5
145.04982	0.3
145.10127	2.4
147.11720	0.8
161.13153	0.4
163.11172	3.9
181.12251	0.6
184.07417	1.0
185.04257	0.4
197.16090	0.3
201.16402	0.3
203.05432	0.3
219.09955	0.5
227.12846	2.8
243.08337	1.9
249.10988	7.8
270.12241	0.3
305.13644	1.8
467.18863	9.9
468.19330	0.4
509.21716	0.5
519.29285	4.9
520.29620	0.6
723.12201	0.3
745.41248	100.0
746.41565	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.4
54.31330	0.6
55.01873	1.5
55.05507	4.0
57.03427	3.3
57.07059	0.9
59.04981	0.8
59.69424	0.6
60.08167	1.0
61.02929	3.7
65.03956	0.8
66.12183	0.7
67.05506	11.0
69.03431	18.4
69.07063	5.9
71.05005	5.8
71.30284	0.9
73.02912	6.4
74.88834	0.6
79.05495	6.4
81.03419	24.4
81.07061	15.0
83.04973	2.6
83.08598	1.8
85.02906	58.3
86.03240	1.1
86.09716	4.0
87.04469	1.6
90.95393	0.6
91.03949	1.5
91.05479	7.4
93.07040	10.5
94.07386	0.8
95.04964	3.9
95.08606	24.6
97.02892	41.0
97.10174	2.0
98.03232	1.0
99.04456	42.7
100.04765	0.7
102.45412	0.6
103.03941	53.0
104.04274	0.5
105.07038	10.8
107.08595	15.3
109.02878	24.1
109.06527	1.2
109.10158	15.1
110.03244	0.7
111.04448	1.9
111.08093	1.5
113.05949	0.8
115.03921	2.3
117.07027	1.3
119.08579	9.5
121.10137	11.0
123.08067	1.9
123.11714	7.1
124.85703	0.6
124.99999	2.0
127.03914	100.0
128.04242	2.4
131.08575	3.6
133.10144	8.6
135.08138	0.7
135.11697	11.1
137.09590	0.8
137.13263	2.0
139.07635	0.7
141.09096	0.9
142.07784	0.7
143.08539	2.6
144.09285	0.7
145.04958	51.4
145.10156	3.8
147.11684	7.2
149.09660	0.9
149.13264	7.6
151.11148	1.0
157.10172	2.9
159.11703	6.0
161.09590	1.5
161.13248	7.6
163.06021	15.6
163.14816	2.6
165.09195	0.8
169.04941	1.9
171.11688	3.0
173.09616	1.0
173.13275	3.4
175.11211	1.1
175.14844	2.9
177.16345	1.9
179.10577	0.7
182.42664	0.6
183.11635	1.3
184.07318	12.1
185.07866	0.9
185.13248	1.1
187.05983	8.5
187.14793	2.4
189.16412	6.1
191.17934	23.4
192.18365	1.1
195.11650	0.7
197.13245	1.4
199.05977	1.8
199.14819	1.5
201.12805	0.6
201.16382	3.0
203.14357	0.8
203.17955	6.7
205.07063	2.2
205.19432	2.9
213.16412	1.1
214.29379	0.6
215.17949	1.5
217.07234	0.8
217.15858	1.0
217.19514	3.1
221.15286	1.1
223.14836	1.0
229.15836	1.2
229.19389	0.9
231.17564	1.2
233.15405	1.3
235.16884	3.5
241.19473	0.6
245.15604	0.7
247.14944	0.8
247.17001	6.4
249.18480	2.8
253.07124	1.2
257.15369	0.8
259.16953	0.8
271.08112	7.9
271.15442	1.8
289.09113	3.4
289.16309	0.9
307.10226	1.2
335.25751	1.7
384.68179	0.7
421.34610	0.8
437.34253	3.1
439.35724	14.7
439.41022	0.7
440.36090	1.9
463.35535	1.1
481.36429	0.8
529.36639	2.6
531.37097	0.7
547.37524	2.1
565.38922	1.5
691.40686	1.2
709.42328	1.1
727.43732	2.3
745.42371	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	3.9
55.38716	3.6
67.05516	6.4
69.12050	24.3
69.12453	7.5
79.05475	3.7
81.07047	6.4
89.06026	6.8
95.08598	12.6
105.03452	4.0
105.07008	8.7
109.10147	4.7
115.54400	3.5
121.10125	5.7
123.57015	3.5
125.00018	4.8
133.10109	6.1
147.11650	4.0
167.07031	4.6
184.07332	20.1
203.17981	33.4
246.63075	3.8
257.46863	3.6
279.94479	3.8
295.13132	5.1
304.09473	4.9
323.12793	9.3
331.11685	5.2
355.15726	17.5
356.15930	5.4
386.16855	5.1
387.18015	100.0
388.18369	9.7
427.37979	3.8
462.38153	3.9
565.85156	3.9
573.84418	4.4
587.03271	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	6.8
67.05504	18.7
69.07069	9.1
71.32865	8.1
81.07056	19.8
83.08613	9.5
86.36097	5.2
91.05493	5.8
93.07050	11.9
95.04950	5.8
95.08588	24.5
97.10165	6.5
105.03389	28.6
105.07037	35.6
107.08570	10.1
107.81224	4.5
109.10145	18.8
119.08601	23.3
121.10143	12.2
131.08545	5.2
133.08562	6.3
133.10129	10.6
145.10081	5.7
147.11713	30.5
161.13219	6.5
184.07448	6.9
203.17973	100.0
204.18259	6.2
215.79669	5.8
229.50211	5.4
275.16330	9.2
289.48758	5.3
295.13367	6.3
355.15369	14.0
356.16489	7.7
387.18039	53.5
403.26505	5.6
589.35083	13.6
746.48267	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.3
55.01881	0.4
55.05506	2.9
57.07074	1.5
67.05505	5.5
67.44857	0.4
68.83858	0.3
69.07076	4.3
77.03915	1.5
79.05506	2.0
81.03425	1.0
81.07062	9.2
81.61541	0.4
83.08635	1.7
86.09715	0.4
91.05481	3.8
93.07043	4.0
95.04962	4.9
95.08608	17.3
97.10194	0.4
103.05490	0.7
105.03394	67.5
105.04543	2.4
105.07028	33.5
106.03743	1.4
106.07353	0.8
107.08596	6.9
109.10151	9.7
117.06998	1.0
119.08581	20.5
121.10145	5.1
123.11703	7.4
131.08553	1.2
133.08611	0.4
133.10132	12.1
135.11705	1.7
145.10123	1.4
147.11687	26.8
148.12056	1.0
155.23251	0.4
159.11658	0.5
160.12468	0.7
161.13260	8.1
162.13603	0.5
163.11215	0.5
175.14861	2.4
184.07343	1.1
203.17952	100.0
204.18266	5.0
216.49919	0.4
220.35678	0.4
221.18842	0.4
228.81009	0.5
271.78174	0.4
295.13068	0.5
355.15384	1.6
385.16660	0.5
387.18176	1.8
398.90640	0.4
449.15698	0.5
459.17764	0.8
491.20618	13.9
492.20691	1.7
510.32852	0.5
599.49011	0.4
693.37427	0.6
747.43304	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.2
55.05515	5.8
55.97953	2.1
67.05505	18.1
68.63165	2.1
69.07057	5.3
69.43594	14.3
69.84489	2.1
78.65201	2.5
79.05499	5.7
81.03427	3.9
81.07066	19.4
85.02885	3.0
86.09697	4.8
89.06062	3.1
91.05483	7.2
93.07050	9.0
95.04974	5.2
95.08604	25.3
97.06507	2.6
105.03397	68.4
105.07027	37.4
107.08606	7.2
109.10197	12.3
119.08565	21.9
121.10143	6.6
123.11700	5.4
123.93620	2.6
125.00052	3.7
131.08548	2.6
133.10164	12.6
139.07536	2.6
145.10226	3.4
147.11703	25.5
154.90082	2.6
159.11592	2.6
161.13277	9.0
163.11328	2.3
174.40932	2.8
175.14783	2.9
180.67447	2.4
184.07388	19.4
203.17967	100.0
204.18301	4.3
211.13301	3.1
266.75674	2.6
343.71967	2.8
387.18033	4.1
462.72308	2.3
469.20959	3.7
491.20224	13.3
549.41455	3.0
675.46057	2.5
746.51532	12.6
747.42603	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.8
57.07065	1.9
58.79987	0.6
61.28811	0.5
65.03939	0.6
67.05495	3.2
69.07066	4.1
69.31436	0.5
69.36204	4.0
71.08620	1.1
79.05491	3.4
81.07054	23.9
82.07365	0.6
83.08594	1.5
86.09702	4.3
89.06036	0.7
91.05482	4.9
93.07049	6.0
95.04966	1.1
95.08603	15.2
98.98518	0.6
103.05480	0.6
105.07029	33.7
106.07314	1.6
107.08591	7.3
109.10158	11.4
117.06953	0.6
119.08580	18.5
120.08906	0.7
121.10173	4.3
123.08029	0.6
123.11716	7.1
125.00003	3.2
128.91460	0.6
131.08556	1.4
133.10130	13.1
134.14044	0.6
135.11685	2.3
139.07549	0.8
145.10080	2.0
147.11684	31.7
157.10077	0.9
159.11682	1.5
160.12436	1.3
161.13264	8.4
167.07076	2.8
173.82278	0.6
175.14845	2.7
184.07344	18.9
201.16391	2.0
203.17949	100.0
204.18297	5.8
210.06734	0.7
211.07549	2.6
215.07141	0.7
219.10074	1.0
220.08853	0.9
225.09105	2.0
227.07095	1.1
233.09587	0.9
237.08987	1.3
238.06126	1.4
239.07056	2.5
241.04852	0.6
243.06439	0.8
243.10017	0.7
248.08167	0.7
249.09032	1.2
251.06905	0.7
252.07773	0.8
253.04857	0.6
253.08545	3.9
255.06523	1.8
256.07266	1.7
257.08075	0.9
262.09979	0.8
263.10611	1.8
264.11331	0.7
265.08646	2.6
265.12164	0.6
266.05923	0.7
266.09174	1.0
267.06601	3.3
270.08847	1.4
271.06110	1.4
271.09616	1.7
273.07388	0.8
277.08539	1.3
278.09448	0.7
279.10275	1.6
280.10904	2.1
281.08060	2.4
281.11612	1.9
283.06076	0.9
284.06836	2.5
284.09976	0.7
285.07602	2.1
285.11212	1.6
287.08926	1.0
289.06909	0.9
291.10196	1.4
292.10852	1.0
293.08368	1.2
293.11395	1.1
294.12280	0.7
295.10205	1.1
295.13284	6.1
296.13849	0.8
297.07770	1.0
297.11194	1.6
298.08353	2.2
299.09241	6.8
299.12671	1.0
300.09674	0.7
301.07034	1.1
301.10617	0.8
302.07919	0.7
303.08478	3.0
304.09387	4.4
308.10538	2.6
309.11249	2.7
309.14697	1.2
312.13547	1.3
313.10782	8.4
314.11362	1.3
315.08667	0.8
316.09308	0.9
317.10229	2.0
318.11023	4.9
319.11542	1.1
322.12018	0.9
323.12738	11.0
324.13452	2.8
325.10623	1.9
325.14166	1.4
327.12302	1.3
327.15909	2.7
330.10815	0.8
331.11713	3.4
332.12344	0.8
340.13010	3.1
341.13733	2.2
344.12573	0.7
345.13232	4.7
355.15399	20.1
355.22363	0.8
356.16049	7.5
357.13193	0.8
358.14236	1.4
372.15701	2.0
387.18005	84.3
388.18387	6.8
589.35217	22.1
590.35309	3.4
649.43964	0.9
746.49969	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.5
55.01863	5.0
55.05515	29.7
57.03430	7.4
57.07077	66.9
57.19849	2.4
62.06083	3.2
65.03931	3.2
67.05507	83.7
69.07066	44.5
71.04986	2.8
71.08636	50.0
71.30239	4.3
75.91819	2.5
79.05495	54.8
80.05032	4.5
81.03405	4.3
81.07056	85.1
81.07523	5.8
82.06596	5.7
83.04990	7.3
83.08624	30.0
85.06549	4.1
85.10181	25.1
86.09725	4.7
91.05477	54.4
93.07050	53.7
94.06570	3.8
95.04986	9.1
95.08606	68.1
97.06548	11.4
97.10175	11.0
98.06065	4.3
98.98465	5.3
99.08121	3.3
103.05444	2.5
105.04573	2.7
105.07024	41.1
105.07663	3.3
107.04947	6.6
107.08589	31.0
108.08100	3.7
109.06532	7.2
109.10160	23.4
113.09646	2.9
117.07017	18.2
119.08604	27.6
121.06484	5.0
121.10153	17.4
123.08054	5.5
123.11721	7.8
124.77202	2.6
124.99972	3.6
128.06245	3.0
129.06998	8.7
131.08556	20.7
133.06494	3.3
133.10133	19.4
135.08058	4.2
135.11725	8.0
141.06932	3.1
143.08598	7.4
145.10152	17.8
147.11697	14.9
149.09650	9.7
149.13231	6.0
151.11130	2.9
157.10194	5.5
158.59821	2.5
159.11697	13.5
163.11212	9.2
165.12784	3.1
167.08556	2.5
169.10068	3.3
171.11740	7.8
173.13297	4.9
175.11259	2.6
177.12721	6.2
179.14314	5.3
182.23318	2.5
183.11804	3.8
184.07301	20.5
185.13190	2.9
195.13814	4.4
199.65965	2.5
217.15901	3.1
220.17043	12.5
222.08882	4.1
229.19583	3.2
233.15321	2.8
238.17923	6.5
239.17839	3.9
239.23718	10.0
251.16678	2.8
257.19012	6.7
275.20038	24.1
282.27835	14.3
293.20981	3.5
313.21671	5.6
313.27322	44.8
318.14728	6.1
318.24393	6.6
331.22641	2.9
349.24026	13.3
355.15210	2.9
372.15353	2.7
392.18121	12.5
467.37192	5.1
493.38864	27.4
494.38773	3.1
507.40430	100.0
508.40591	15.6
547.43689	12.7
554.03558	3.1
569.45795	19.1
587.46661	95.2
588.46930	15.0
605.47888	23.0
616.39709	4.1
630.41229	34.0
631.41492	3.5
670.44458	3.8
710.47327	10.3
746.49921	3.4
775.16016	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.0
55.01873	4.0
55.05510	31.9
57.03432	14.2
57.07084	8.6
59.55575	1.6
61.02906	4.7
65.03907	2.2
66.29074	1.6
67.05503	39.1
69.03419	4.8
69.07069	33.4
71.04982	7.3
71.08638	3.2
73.02927	2.3
79.05486	30.5
81.03416	52.8
81.07056	41.8
83.04980	14.9
83.08619	34.0
85.02896	22.8
85.10177	2.3
86.09705	7.3
89.05956	1.9
91.05481	28.7
93.07035	23.9
95.04954	20.8
95.08601	45.7
97.02876	3.3
97.06543	4.7
97.10175	12.1
98.23373	3.6
99.08099	2.6
105.03395	4.0
105.07021	24.5
107.04969	6.0
107.08579	11.5
109.06546	3.7
109.10140	15.3
110.17197	1.8
111.08076	12.5
111.11721	2.8
113.05962	2.7
113.09616	1.9
115.03730	2.3
117.07027	4.7
119.08572	20.4
121.06490	3.3
121.10143	15.3
123.08076	2.5
123.11681	3.5
125.00013	5.9
125.09614	3.0
129.06972	10.8
131.08565	10.6
133.06441	4.2
133.08620	2.4
133.10139	15.5
135.11700	7.4
137.09628	2.9
139.07516	8.0
142.07709	3.3
145.10103	5.3
147.07993	4.9
147.11702	11.8
149.09601	5.6
149.13293	2.4
157.10109	11.6
159.11632	2.1
163.11165	1.9
163.14835	2.4
165.12738	2.9
175.11148	11.7
175.14809	4.9
184.07338	21.6
193.12241	35.1
195.00296	29.3
203.17924	2.3
211.13290	53.1
212.13692	2.9
221.15425	6.2
260.73041	1.9
267.15891	14.7
285.16934	65.2
286.17477	3.9
339.28922	61.9
340.29196	5.6
355.15341	3.1
356.16229	5.1
387.17896	6.7
525.35602	6.4
531.40399	15.1
549.41473	100.0
550.42004	13.5
575.39209	16.1
697.36224	9.8
746.43903	21.3
747.40857	7.6
754.93250	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	28.2
56.96849	1.3
57.74087	0.6
59.18106	0.6
59.40802	0.7
61.01072	0.7
61.33917	0.6
63.02370	1.0
67.93697	0.7
71.28548	0.9
71.28908	1.2
79.05486	1.3
83.04964	1.5
84.96033	2.6
85.02892	4.8
86.03245	0.9
89.03911	12.4
94.96421	0.7
95.04988	1.6
98.97569	0.9
107.04956	2.7
111.04396	1.0
117.03376	12.2
124.99138	5.4
127.03922	1.9
131.00145	1.5
135.04408	20.5
136.04787	1.4
141.02017	1.2
143.00151	13.2
145.01750	1.8
145.02837	14.1
146.72745	0.7
147.04395	2.8
152.98625	1.1
158.99593	1.0
159.03265	2.5
161.01204	11.3
163.03900	79.3
164.04198	4.2
167.73334	0.8
168.98053	1.6
169.01752	1.8
170.99657	5.6
171.06517	1.0
175.00670	1.0
184.54253	0.7
185.01181	4.6
186.99150	2.9
187.02719	2.8
189.00731	10.0
191.00175	1.7
193.01764	4.5
194.99783	0.9
200.98706	3.2
203.02321	2.4
205.00192	2.1
205.03828	1.1
206.99582	1.1
207.01656	1.3
209.01213	3.0
211.02690	4.2
213.00711	4.2
218.99631	18.4
220.00119	1.0
221.03357	1.7
223.02855	1.8
229.04033	0.8
231.01689	4.1
233.01190	1.4
237.00693	100.0
238.01080	4.4
238.03674	0.9
249.02805	2.2
251.02298	2.2
255.01746	59.8
256.02087	1.5
260.02185	1.7
261.06052	1.6
267.04004	0.8
269.03290	2.5
273.02802	34.5
274.03101	1.8
279.01694	1.6
287.02103	3.9
292.96564	1.2
297.03027	1.2
305.03308	3.0
315.01743	5.2
317.05518	0.9
323.04309	3.3
329.03250	1.1
331.01468	1.0
331.05014	1.7
333.02817	4.7
347.04391	3.5
347.47952	0.8
349.02219	2.4
349.06027	1.8
365.05423	1.6
367.03207	1.0
375.03989	5.5
375.08383	1.1
381.02859	1.4
386.73578	0.8
393.04886	18.8
393.09467	1.5
394.04993	1.2
411.05939	22.0
412.06155	2.1
429.07065	28.2
430.07077	1.5
447.07993	2.0
452.08478	1.2
461.07254	1.4
479.08563	2.5
505.06277	1.8
507.08145	2.5
523.07275	3.3
531.08051	2.4
537.06995	2.3
549.09021	3.9
554.99890	1.4
555.08026	18.6
556.08374	1.3
567.10126	4.4
573.09198	11.5
574.09045	1.3
585.10815	4.0
591.10059	1.9
711.11920	1.1
729.13135	13.6
730.13446	1.6
735.52026	0.8
747.14325	19.0
748.14581	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.5
53.16002	1.4
55.01867	1.8
55.05511	56.8
57.03436	2.7
59.04996	1.6
61.02922	4.1
67.05500	4.6
68.06534	1.2
69.03428	12.7
71.04991	2.5
73.02902	2.9
74.98075	1.6
79.05497	3.6
81.03424	14.3
81.07066	3.7
83.04981	100.0
83.08606	1.6
84.05296	2.2
85.02904	13.8
87.04456	1.8
91.03974	1.8
91.05496	3.8
93.07032	3.5
95.04967	1.9
95.08591	2.2
97.02890	11.1
98.23430	3.6
99.04469	9.7
101.06035	6.2
105.06999	1.6
109.02893	5.0
109.10143	1.4
115.03950	1.8
117.06980	1.6
117.92439	1.3
119.04944	3.5
119.08571	2.9
121.10118	1.6
123.04420	1.6
127.03922	10.6
129.07050	1.6
131.08560	1.6
132.05702	7.4
145.05020	2.4
147.08011	2.0
149.05960	1.6
151.07416	1.4
151.15851	1.2
165.06866	1.6
175.07465	3.4
179.08566	1.9
179.10643	1.9
193.12157	2.1
195.08011	3.5
199.07500	1.5
205.06584	1.8
207.08221	1.4
207.10127	16.6
208.05232	1.6
210.06718	1.5
211.03897	1.5
211.07597	1.8
214.06277	2.2
221.05943	2.6
222.06769	2.3
223.07544	5.5
225.05495	4.7
225.09033	2.4
225.11208	2.4
226.06259	2.0
227.07132	3.4
227.09148	6.6
229.08496	2.2
234.06728	2.0
235.07538	4.2
236.04736	3.9
236.08330	1.5
237.05482	1.5
237.09045	3.3
238.09843	1.5
239.03375	4.0
239.07112	4.0
240.04053	3.2
240.07791	3.8
241.08676	2.0
242.05647	2.1
242.09256	2.2
243.06429	2.1
245.10263	10.4
249.05533	1.7
250.06271	4.8
251.07043	18.2
252.07724	3.2
253.04953	8.1
253.08556	6.3
254.05791	4.3
254.09268	1.7
255.06561	3.7
255.10146	2.2
256.03745	1.6
257.08032	3.4
263.07208	2.9
264.07840	2.2
265.05234	2.4
265.08585	5.7
266.05740	3.1
266.09213	3.3
267.06506	4.7
267.10071	2.1
268.07269	11.8
269.07986	3.6
269.11780	1.7
270.05234	4.9
270.08878	2.4
271.06042	3.5
275.09317	1.7
277.08588	2.6
279.06546	16.1
280.07236	9.5
281.04529	5.2
281.08081	10.0
282.05240	6.7
282.08817	4.7
283.05972	5.0
283.09625	8.3
283.15524	2.0
284.06674	1.7
285.04630	2.4
285.07553	17.3
286.04843	2.5
286.08130	1.9
292.07202	4.8
293.08005	13.0
294.08783	4.8
295.06024	4.1
295.09570	3.6
296.06821	12.8
296.09958	2.4
297.07541	4.5
297.11194	7.3
299.05502	4.9
299.08963	3.0
301.07022	13.4
303.08594	2.0
307.09720	2.1
309.07529	5.4
309.10950	3.0
310.08282	19.1
311.09119	46.8
312.09708	5.4
313.07019	10.7
313.10733	11.8
314.07703	6.8
315.08499	6.1
315.11862	1.7
316.09430	4.0
321.07440	3.3
323.09180	4.3
325.07056	3.1
325.10654	21.7
326.11282	2.4
328.09338	15.3
329.10077	2.8
330.11008	8.7
331.11835	2.3
336.09827	4.6
337.10608	4.1
339.08484	2.2
339.12369	3.4
341.10199	85.1
342.10562	7.2
343.11789	32.7
349.10583	2.8
352.09488	1.6
353.10107	3.1
354.10876	5.5
355.11826	4.1
357.13275	17.8
367.11761	18.2
370.10165	2.1
385.12817	34.7
386.13205	3.0
469.20563	3.6
485.18417	1.7
487.21552	1.6
501.23114	3.5
503.15448	5.8
547.17902	2.0
655.28125	1.6
657.29907	4.3
729.34833	3.2
747.37360	44.2
748.36658	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.377
Annotation	Pandicine
Peak:m/z	Relative Intensity
53.03945	0.6
55.05513	1.0
57.03431	1.8
59.05006	0.7
61.02927	3.8
63.69207	0.3
67.05493	2.1
69.03427	3.0
69.07079	1.0
69.10921	0.6
69.11316	3.0
71.01369	0.6
71.04987	1.6
73.02911	2.6
73.82615	0.4
74.06023	0.3
79.05494	2.5
81.03416	4.9
81.07062	3.7
83.08624	1.0
85.02903	4.5
85.06561	0.4
91.03952	2.2
91.05479	3.4
93.07042	2.9
95.04988	1.4
95.08622	1.0
97.02876	3.5
97.06552	0.8
99.04467	0.8
101.02399	1.4
103.03947	0.5
105.07033	2.3
107.04939	0.4
107.08622	1.0
109.02879	0.5
109.06548	0.8
111.08082	0.8
115.03930	0.5
119.08614	1.4
121.10135	3.0
123.08095	0.6
127.03954	1.5
127.20248	0.5
129.07047	1.1
131.08594	1.4
133.10178	1.2
137.05974	0.4
139.11220	0.5
147.11726	1.5
149.09604	2.3
157.10205	1.2
175.11249	1.4
185.04251	0.4
193.12234	1.7
203.05194	0.4
211.13376	0.4
225.11079	0.4
231.07817	0.3
243.08406	2.4
251.12602	0.8
259.07895	0.3
267.16110	1.2
269.13705	1.2
283.15167	3.3
311.16614	0.4
325.16562	0.4
339.18005	1.0
346.30234	0.4
371.17374	0.4
425.17538	0.6
443.18912	5.5
444.19080	0.6
469.20486	3.3
487.21494	6.8
488.21716	0.6
501.23068	12.0
502.23465	1.4
585.32233	0.6
657.30817	0.8
703.34753	2.7
729.36462	1.7
747.37714	100.0
748.38037	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67006	1.2
55.05517	1.6
59.60698	1.2
67.05525	1.7
71.31831	1.5
71.59702	1.1
77.98695	1.5
79.05495	1.8
81.07063	2.2
84.68711	1.3
91.05496	1.6
93.07075	1.5
95.08628	2.0
101.22229	1.1
105.03428	3.0
105.07091	1.7
119.08639	1.4
184.07388	2.0
203.18033	1.7
319.14261	1.4
341.38770	1.1
353.70868	1.3
370.80951	1.4
562.38824	1.3
613.42139	1.3
747.40735	100.0
748.41174	17.5
751.25763	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
53.10748	0.2
54.22203	0.2
54.35214	0.2
55.01878	0.5
55.05507	1.8
57.03439	2.5
57.07095	0.2
61.02925	7.3
65.03932	0.5
67.05504	5.5
69.03426	4.0
69.07072	1.3
71.01344	0.5
71.05003	0.8
71.08683	0.2
71.32160	0.3
73.02913	5.4
73.03307	0.4
79.05489	4.0
79.05909	0.3
81.03410	3.3
81.06579	0.4
81.07052	5.9
83.01358	0.3
83.08618	0.8
85.02899	7.4
85.06561	0.3
86.09741	0.3
87.04482	0.6
91.03947	3.6
91.05476	3.1
93.07040	4.5
95.04964	1.0
95.08609	3.9
97.02885	6.4
97.06548	0.3
97.10177	0.3
99.04442	1.1
101.02376	2.4
103.03938	0.6
105.03371	0.3
105.07026	2.5
107.04968	0.2
107.08586	2.1
109.02910	0.9
109.06535	0.3
109.10151	1.7
111.04404	0.2
112.72011	0.2
115.03944	0.5
115.05332	0.2
117.07021	0.5
119.08576	1.9
121.06485	0.2
121.10136	2.0
123.11714	0.4
123.82927	0.2
125.00001	0.2
127.03919	1.9
129.07008	0.5
131.08580	1.2
133.10147	1.2
135.11714	0.9
143.08510	0.3
145.10162	0.9
147.08163	0.3
147.11653	1.1
149.13289	0.3
157.10138	0.7
159.11740	0.5
161.33235	0.2
175.11241	0.4
184.07416	0.9
185.04199	1.0
193.12296	0.5
203.05345	0.5
203.54361	0.2
241.47665	0.2
243.08423	2.1
251.12462	1.4
261.22223	0.4
335.25836	0.8
354.16422	0.2
469.20416	4.3
470.21005	0.4
519.29260	8.8
520.29590	1.0
614.52808	0.2
747.42798	100.0
748.43188	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
54.39608	0.5
55.01864	0.6
55.05520	1.4
57.03435	2.0
61.02931	5.4
61.98756	0.6
67.05506	4.8
69.03433	3.2
69.07080	1.1
69.54841	2.9
71.05000	0.8
71.53509	0.4
73.02923	3.8
75.13405	0.5
78.58071	0.5
79.05492	3.4
80.60398	0.4
81.03422	3.9
81.07062	4.3
82.51256	0.4
83.08641	1.3
85.02906	7.0
87.04476	0.6
91.03960	2.9
91.05498	3.4
93.07034	3.8
95.04967	1.8
95.08602	3.0
97.02902	4.2
98.23038	1.2
99.04440	0.7
101.02380	1.8
105.07084	2.4
107.08608	1.6
109.02900	1.2
109.10184	1.3
119.08603	2.0
121.10151	1.2
127.03934	1.3
129.07034	0.7
131.08595	1.1
133.10146	1.9
147.11624	1.2
157.10133	1.0
184.07399	2.3
185.04239	0.8
193.12369	1.7
243.06232	0.5
243.08426	2.5
251.12599	1.0
295.74802	0.5
469.20490	8.0
470.20984	1.1
482.42776	0.6
519.29193	4.9
551.65479	0.5
703.41833	0.5
747.42834	100.0
748.43243	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.05511	2.4
57.03439	2.1
61.02926	6.4
63.51248	0.5
67.05506	5.6
69.03432	3.7
69.07066	1.4
69.14977	0.7
69.15358	4.5
71.05004	1.1
73.02916	5.0
79.05492	4.1
81.03421	4.6
81.07056	5.8
83.08628	1.8
85.02907	5.7
86.09727	1.8
87.04461	0.6
87.59238	0.5
91.03961	3.7
91.05491	4.5
93.07053	4.2
95.04964	2.7
95.08614	3.6
97.02895	5.5
97.06554	0.8
98.22891	2.3
98.23500	0.8
101.02393	2.9
103.03956	0.5
105.07063	2.7
107.08596	1.9
109.02852	0.9
109.10178	1.9
111.04456	0.6
111.08105	1.0
114.76936	0.5
117.07063	0.8
119.08615	2.2
121.10155	1.6
123.11758	0.8
125.00082	1.6
127.03946	1.6
131.08597	1.1
133.10173	1.6
136.06601	0.5
145.10139	1.2
146.57838	0.5
147.11723	1.3
157.10205	0.8
175.11206	0.8
184.07314	5.2
185.04254	0.6
193.12292	1.9
211.13255	1.1
220.88300	0.5
243.08464	2.3
250.51543	0.6
251.12581	3.6
307.15256	1.1
340.37186	0.5
469.20416	9.0
470.20444	0.5
519.29108	4.3
520.29944	0.7
585.38361	0.7
747.42749	100.0
748.43176	14.6
749.87372	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.05513	2.3
57.03432	1.1
61.02924	4.2
62.59230	0.7
63.07738	0.6
67.05502	6.3
69.03419	3.6
69.07078	2.9
69.36723	2.4
69.37131	1.2
71.05006	0.8
73.02917	4.7
74.56714	0.7
74.81404	0.7
79.05488	2.9
81.03427	2.2
81.07061	5.9
83.08630	1.9
85.02911	5.3
86.09713	1.4
89.06046	1.8
91.03967	2.4
91.05509	2.8
93.07043	4.0
95.04961	1.3
95.08604	6.7
97.02903	4.4
98.23309	1.2
99.04457	0.7
101.02394	2.3
105.03409	3.3
105.07024	3.3
107.08609	2.9
108.08917	0.8
109.10170	2.2
117.07062	0.8
119.08594	2.4
121.10195	2.1
121.35234	0.6
123.11713	0.9
125.00018	1.1
127.03913	0.9
131.08580	0.7
133.08607	1.0
133.10175	0.7
135.11697	3.6
143.48598	0.8
145.10150	2.2
163.11128	4.0
184.07358	2.9
185.04271	1.3
203.18036	2.5
204.18303	1.4
219.10031	1.3
227.12816	3.0
243.08470	3.2
249.10999	9.0
305.13757	2.2
393.73706	0.6
435.03625	0.6
467.18921	11.1
468.19186	0.7
469.20624	0.9
521.30890	5.1
529.14484	4.0
530.15411	1.2
747.42767	100.0
748.43048	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01865	3.3
55.05508	7.4
57.03439	1.1
57.07096	1.3
59.05008	1.1
60.08167	7.1
62.04814	0.9
65.03931	1.6
67.05508	12.2
69.03429	3.7
69.07072	4.9
69.07503	9.5
71.04980	1.8
71.07375	3.7
79.05498	10.0
81.03424	6.4
81.07057	12.1
83.04973	6.6
83.08614	1.8
85.02883	1.2
86.09708	32.9
87.10032	3.8
91.05488	22.4
93.07045	19.4
95.04959	4.2
95.08604	16.7
97.06553	2.3
97.10178	1.2
98.98483	3.2
103.05458	2.2
104.10735	3.3
105.07037	25.5
106.07384	1.6
107.04950	3.0
107.08595	15.4
109.06517	3.0
109.10143	5.9
111.04453	4.5
111.08094	6.1
115.05463	2.2
116.06260	1.3
117.07035	8.3
119.08585	25.7
121.02903	1.1
121.06503	2.8
121.10114	7.2
122.10479	1.1
123.08090	3.0
123.11691	2.4
125.00001	21.0
128.06232	4.1
129.06996	5.7
131.04941	1.1
131.08565	11.8
132.08904	1.0
133.06494	3.1
133.10135	17.0
135.04387	1.2
135.08078	5.7
135.11717	2.3
137.05980	1.1
137.09630	1.2
139.07556	3.4
141.07013	3.8
142.07779	4.4
143.08578	10.1
145.06509	4.3
145.10118	13.5
146.37434	0.9
147.08046	5.8
147.11684	9.1
149.06013	1.3
149.09648	2.5
149.13208	2.3
151.07573	0.9
152.06198	2.0
153.06978	2.5
153.09094	1.4
154.07787	1.5
155.08557	5.9
156.09329	2.8
157.06516	2.4
157.10130	10.3
158.07318	1.8
158.10873	1.3
159.08075	4.3
159.11662	5.1
161.05966	1.8
161.09605	5.5
161.13245	3.2
163.11180	1.3
163.14743	1.0
165.07034	3.3
166.07791	1.3
167.08488	5.0
168.09346	2.1
169.06479	1.2
169.10103	7.8
170.10907	1.8
171.08066	3.8
171.11761	5.0
173.09601	7.5
173.13246	2.7
175.07523	3.6
175.11240	3.5
175.14850	3.2
177.16316	1.2
178.07813	1.4
179.08594	2.6
179.14357	1.5
180.09473	1.3
181.10112	6.0
182.10851	2.0
183.08029	1.5
183.11656	5.8
184.07349	100.0
185.07692	10.6
185.09625	4.8
185.13297	3.9
187.11192	4.2
187.14790	2.7
189.12717	1.8
191.14238	1.2
192.09311	2.6
193.10152	4.6
193.94830	1.1
194.11024	1.2
195.08003	1.7
195.11726	3.2
196.12460	1.8
197.09662	2.7
197.13371	5.5
199.11201	2.9
199.14874	3.4
201.12752	1.5
201.16342	2.4
203.08594	1.3
203.14272	2.3
205.10251	2.5
206.10968	2.5
207.11755	5.5
209.09682	2.8
209.13312	4.9
211.11189	5.0
211.14803	2.0
213.09050	1.5
213.12585	1.2
217.10086	2.7
217.15857	1.2
218.10797	1.1
219.11713	2.9
220.12595	2.0
221.09660	1.5
221.13248	3.3
221.15254	1.2
222.10330	1.3
223.11205	2.4
223.14819	1.5
224.12019	1.3
225.12798	4.0
227.10698	1.5
227.14328	2.9
229.10214	2.3
229.12236	2.0
230.10831	1.3
231.11839	1.6
231.22679	1.2
232.12505	1.2
233.09613	1.7
233.13242	2.4
235.11333	2.1
235.14787	2.0
239.10658	1.4
239.14392	3.2
243.11766	1.2
245.13245	2.1
245.15497	1.7
247.11136	1.9
247.14732	2.0
249.12840	1.5
249.16286	1.6
251.14227	1.4
256.12427	1.4
257.13174	1.8
257.15668	1.2
259.11105	1.3
261.16498	1.5
263.14243	1.7
265.15936	1.8
269.13074	2.0
270.14008	1.2
272.15649	1.3
273.12845	2.0
273.16174	1.4
277.15875	2.0
279.13892	1.1
287.14471	1.6
295.17108	1.9
307.16840	1.4
317.15356	1.2
379.22696	2.6
381.24106	2.6
417.20618	1.5
455.25308	1.6
459.25436	1.9
586.32092	1.4
586.41559	1.2
628.89142	1.1
712.45135	2.1
747.40332	7.4
748.38721	1.8
776.44244	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53689	0.9
71.39676	0.8
79.05552	1.0
79.44929	0.8
89.03917	9.1
91.05497	1.8
103.05469	13.2
105.07046	3.6
106.04172	1.0
107.04952	1.5
117.03381	24.7
118.03764	0.9
127.58160	0.7
131.04935	26.6
133.06511	3.1
134.03670	2.4
135.04443	1.5
137.05992	3.7
145.02847	59.6
146.03210	2.1
149.05989	9.1
159.01013	0.8
161.05978	6.6
163.03960	2.2
163.07549	7.1
166.61438	0.9
177.05467	100.0
178.05836	3.4
186.05473	1.1
218.65868	0.9
226.11101	1.3
238.37830	0.8
243.74059	0.8
244.97980	0.9
247.06009	1.1
333.01819	1.0
343.15533	1.1
386.56635	1.2
395.15002	1.6
396.95389	1.0
401.82181	0.9
442.12253	1.2
443.12656	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77129	2.2
53.03952	2.6
55.05516	90.7
56.05854	3.3
66.47192	2.4
67.86578	2.9
69.03437	5.1
71.31577	3.4
71.87571	2.6
76.55285	2.5
76.74923	2.4
79.05492	3.6
79.09120	2.6
81.07056	30.4
83.04982	100.0
85.22455	2.2
91.05489	4.7
92.28545	2.5
95.04982	5.6
95.08598	6.0
99.04486	2.7
105.07056	4.8
107.08582	4.9
109.06527	11.1
110.57222	3.0
111.04469	3.0
119.08659	3.6
123.08093	5.4
133.06512	3.6
137.05981	29.1
138.06328	2.7
143.08578	4.8
145.06477	3.8
147.08006	4.0
149.06017	3.8
155.08612	4.3
159.08072	4.1
163.07483	4.6
167.08548	5.7
169.06520	3.2
171.08090	6.8
173.09723	3.0
175.07605	6.0
179.08560	3.8
181.10222	2.8
183.08095	6.2
185.09605	4.1
187.07581	3.8
189.09120	4.5
193.10114	5.1
195.08081	3.8
197.09717	6.4
207.11612	3.1
209.09686	5.3
211.07738	4.1
213.09076	3.4
217.10161	3.7
219.08090	4.3
221.09756	4.7
221.13242	3.1
223.11327	3.6
225.09171	2.7
232.08685	2.9
233.09586	6.7
234.10361	4.7
235.11212	8.6
237.09120	3.9
237.12770	4.7
238.09669	3.2
245.09482	4.4
247.11197	5.2
248.08337	4.2
248.11774	3.4
249.09105	6.7
251.10674	7.8
253.12352	6.2
257.19864	2.7
261.12759	5.8
262.09930	3.2
263.10785	6.7
263.14285	6.9
265.12302	6.5
273.12814	6.2
275.10773	4.3
277.12210	4.9
279.10211	5.3
279.13770	4.4
281.11612	3.4
289.12311	3.4
291.13828	6.3
293.11908	4.9
293.15408	4.7
295.09595	2.7
303.13910	5.2
309.11191	3.9
309.14874	3.8
321.14862	3.4
329.10007	3.2
331.13214	4.5
349.14343	4.8
351.16064	3.3
367.15430	5.0
389.17407	3.5
401.17636	2.8
407.18594	5.8
417.16943	14.5
418.17737	9.7
419.18604	9.8
429.17023	4.2
431.18597	4.7
435.18436	14.9
437.19754	3.9
447.18219	13.2
449.19531	10.5
453.19177	10.0
465.18954	19.4
466.19196	4.5
475.17703	8.2
477.19394	6.2
483.20071	10.0
493.18665	25.5
494.19061	3.2
495.19867	4.4
511.19730	22.1
513.21051	3.8
525.21295	7.8
535.19458	7.4
553.20856	8.0
571.21753	5.0
603.24658	3.0
611.24646	6.7
653.25720	4.2
671.26697	10.5
713.27832	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.8
55.05504	1.4
57.07064	0.9
57.81644	0.6
60.08173	6.6
61.02917	1.1
61.90509	0.6
67.05505	4.5
69.03431	0.9
69.07051	2.1
71.07389	3.8
71.30403	1.0
73.02917	0.9
73.90731	0.6
78.60704	0.6
79.05483	3.1
79.17204	0.6
81.03415	4.1
81.07047	5.7
81.54947	0.8
83.04990	2.2
83.08615	1.4
85.02926	1.0
85.06572	0.6
86.09708	28.0
91.05480	4.2
93.07041	5.6
95.04991	1.0
95.08598	5.5
97.06532	0.9
98.98448	3.7
104.10744	1.6
105.07021	6.0
107.08600	4.1
109.06491	0.8
109.10162	2.2
110.01289	0.7
111.04430	1.3
111.08076	1.4
117.07050	1.5
119.08588	7.5
121.06505	0.8
121.10158	2.1
123.08096	1.0
123.11724	1.6
125.00004	18.3
125.00863	1.5
129.07002	1.5
131.08568	3.0
133.10117	6.0
135.08031	1.4
135.11676	1.2
139.07539	1.7
142.07726	0.8
143.08554	2.8
145.06424	0.8
145.10117	2.6
147.11679	5.4
149.09662	1.1
149.13272	1.4
155.08600	1.2
157.10110	2.3
159.08041	0.9
159.11670	2.6
161.09633	1.2
161.13316	1.2
169.10092	1.4
171.11687	2.0
173.09612	1.1
173.13306	0.8
175.11208	1.1
179.08408	0.9
181.10040	1.3
183.11739	1.0
184.07344	100.0
185.07684	3.0
185.09564	1.5
187.11044	0.9
189.16409	1.6
197.13268	0.8
199.11208	0.7
199.14882	1.6
201.16347	2.4
203.17981	5.4
207.11685	1.3
209.13275	1.1
211.11211	1.2
221.13243	0.9
223.14804	1.0
225.12712	0.9
227.14389	0.9
231.11578	0.8
237.12825	0.9
237.16635	0.7
239.14297	1.1
245.15375	1.7
273.16336	0.8
289.15820	0.8
290.42871	0.7
301.15616	0.8
325.17883	2.9
343.18985	4.1
362.66473	0.9
459.25244	1.4
546.73053	0.9
631.41241	0.9
649.41907	1.6
667.43445	2.2
677.41254	2.4
685.44672	5.4
686.45538	1.0
695.42621	2.0
703.43640	0.8
712.45453	4.7
748.43115	15.1
749.41278	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01877	3.5
55.05511	22.3
57.03436	5.5
57.07075	47.4
63.40079	1.5
65.03928	1.7
66.93944	1.5
67.05504	54.2
69.07063	22.8
71.04979	2.3
71.08630	48.4
79.05487	27.1
80.05022	3.8
81.03426	6.2
81.07056	58.8
82.06572	3.4
83.04983	8.0
83.08621	21.7
85.06559	3.7
85.10179	21.7
86.09767	2.0
89.36392	1.3
91.05474	27.7
93.07041	35.0
95.04984	7.1
95.08601	48.3
95.32267	1.4
97.06529	5.1
97.10166	8.5
97.53226	1.5
98.23344	4.5
98.98463	4.6
99.08089	15.2
105.07014	17.7
107.04947	1.9
107.08575	15.2
109.06517	4.9
109.10167	19.1
111.08127	3.7
112.11428	1.5
113.09712	2.2
117.07026	6.7
119.08566	16.5
121.06491	2.0
121.10117	9.2
123.08047	2.0
123.11719	7.9
124.01574	2.7
124.99959	1.4
126.12827	2.1
129.06996	4.0
131.08557	9.5
133.10109	12.3
135.11659	8.4
137.09596	2.0
137.13258	2.6
143.08659	2.4
145.10132	6.3
147.11696	7.5
149.13231	7.7
151.11208	15.8
155.01044	2.2
157.10155	3.5
159.11716	6.5
161.13234	8.8
163.11205	13.7
163.14832	1.7
165.12759	1.7
171.11731	3.3
173.13226	1.8
175.14848	2.6
175.97067	1.6
177.12743	5.0
179.14308	6.0
184.07310	4.4
187.14847	2.0
195.13919	1.8
201.16432	2.2
220.16948	13.4
224.10530	2.3
233.15393	3.1
238.17964	8.2
239.23698	8.0
241.19525	4.8
251.16457	3.4
259.20584	4.4
267.15918	2.3
269.17548	2.5
277.21628	15.8
282.27975	6.8
302.24667	2.2
313.27322	34.3
314.27762	2.4
315.23132	3.1
318.14667	6.3
320.25806	5.9
351.25336	9.0
374.17261	3.4
392.18384	12.0
393.23587	1.8
415.36453	1.9
491.40466	2.3
493.39038	3.7
507.40421	100.0
508.40530	12.9
551.42590	2.4
571.47333	16.9
572.47437	2.2
589.48224	89.8
590.48639	14.1
607.49219	12.5
608.49225	2.5
630.31793	2.8
630.41345	36.1
631.41382	4.5
712.48804	5.8
748.46918	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.7
57.07058	1.5
60.50451	1.6
67.05502	4.7
69.03461	1.7
69.07075	2.1
71.08649	1.9
71.31460	1.7
79.05488	2.4
81.03439	1.7
81.07059	4.8
91.05482	2.9
95.08606	4.6
98.26783	1.4
103.05418	1.6
105.07056	1.9
109.10175	1.8
116.07057	1.7
119.08626	3.0
119.11597	1.5
122.54607	1.3
124.99980	1.8
137.06044	2.4
149.13155	1.5
177.26559	1.6
184.07376	3.7
195.00327	2.0
199.14914	1.4
203.18082	1.5
217.31171	1.5
223.37041	1.7
236.12561	1.5
243.28320	1.5
252.19193	1.7
283.01904	6.1
442.78836	1.9
467.37198	1.7
489.35422	5.6
505.38443	2.1
545.12036	100.0
546.12421	11.7
749.30328	12.5
749.41229	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.05518	2.5
57.03431	1.9
61.02930	4.3
63.14656	0.4
67.05511	5.5
68.08672	0.4
69.03436	2.7
69.07066	2.7
69.22422	0.6
69.22820	3.0
71.01351	0.7
71.05004	0.6
73.02917	3.0
79.05495	4.8
81.03417	2.0
81.07056	4.7
83.04980	1.0
83.08620	0.8
85.02909	3.8
85.06591	0.4
89.93214	0.4
91.03965	2.7
91.05482	4.2
91.93600	0.4
93.07037	4.1
95.04981	1.2
95.08625	2.2
97.02885	3.3
97.06547	1.6
97.10184	0.8
99.04404	0.8
101.02406	1.7
105.07058	2.5
107.04927	0.9
107.08607	3.7
109.02893	0.8
109.06546	0.5
109.10179	1.2
111.08100	0.5
117.07017	1.3
119.08636	2.1
121.10182	1.5
127.04001	1.1
129.07114	0.5
131.08577	1.0
133.10139	1.5
135.11694	3.8
145.05048	0.5
145.10149	1.5
147.11722	0.5
159.11787	0.6
163.11168	0.8
169.10146	0.4
173.13313	0.5
181.12300	0.5
184.07396	0.7
191.18042	0.4
221.11549	0.8
243.08307	2.5
333.20514	1.4
439.19391	9.7
453.20993	0.6
458.74112	0.5
551.28247	5.5
625.79388	0.5
633.06873	0.4
749.40771	100.0
750.41095	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.05518	2.5
57.03431	1.9
61.02930	4.3
63.14656	0.4
67.05511	5.5
68.08672	0.4
69.03436	2.7
69.07066	2.7
69.22422	0.6
69.22820	3.0
71.01351	0.7
71.05004	0.6
73.02917	3.0
79.05495	4.8
81.03417	2.0
81.07056	4.7
83.04980	1.0
83.08620	0.8
85.02909	3.8
85.06591	0.4
89.93214	0.4
91.03965	2.7
91.05482	4.2
91.93600	0.4
93.07037	4.1
95.04981	1.2
95.08625	2.2
97.02885	3.3
97.06547	1.6
97.10184	0.8
99.04404	0.8
101.02406	1.7
105.07058	2.5
107.04927	0.9
107.08607	3.7
109.02893	0.8
109.06546	0.5
109.10179	1.2
111.08100	0.5
117.07017	1.3
119.08636	2.1
121.10182	1.5
127.04001	1.1
129.07114	0.5
131.08577	1.0
133.10139	1.5
135.11694	3.8
145.05048	0.5
145.10149	1.5
147.11722	0.5
159.11787	0.6
163.11168	0.8
169.10146	0.4
173.13313	0.5
181.12300	0.5
184.07396	0.7
191.18042	0.4
221.11549	0.8
243.08307	2.5
333.20514	1.4
439.19391	9.7
453.20993	0.6
458.74112	0.5
551.28247	5.5
625.79388	0.5
633.06873	0.4
749.40771	100.0
750.41095	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
53.93245	0.4
55.01878	0.7
55.05508	2.0
57.03427	1.2
61.02932	4.6
67.05508	5.7
69.03431	3.7
69.07069	2.5
71.04996	0.9
73.02921	3.7
79.05496	2.8
81.03414	3.1
81.07060	6.1
83.04964	0.7
83.08639	1.3
85.02911	5.2
87.04488	1.3
91.03952	2.9
91.05486	1.9
93.07055	1.8
95.04977	0.9
95.08611	4.3
97.02890	3.6
97.06500	0.4
97.10189	0.6
99.04449	0.7
101.02392	1.8
105.07008	1.2
105.30188	0.4
107.08603	1.3
109.02918	0.5
109.10160	1.4
115.03946	0.4
119.08606	1.2
121.10160	1.2
123.08031	0.4
123.11752	0.6
127.03928	1.2
129.07002	0.7
133.10138	0.6
147.11699	0.8
150.59425	0.4
184.07373	0.7
243.08459	1.5
251.12561	1.0
267.16113	0.7
288.32788	0.4
337.27597	0.6
358.83765	0.4
437.34140	0.4
469.20480	3.0
521.30896	7.2
522.31036	1.0
691.40778	1.1
749.44379	100.0
750.44696	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01873	0.5
55.05512	1.6
57.03437	1.6
57.07084	0.7
61.02929	5.1
67.05500	4.4
67.05798	0.5
69.03440	3.2
69.07066	1.7
73.02926	3.0
78.60714	0.4
79.05482	2.8
81.03407	3.3
81.07052	5.0
83.04978	1.2
83.08626	1.8
85.02908	5.5
87.04493	0.9
91.03956	4.0
91.05476	2.4
93.07052	2.6
95.04969	2.4
95.08616	4.0
97.02892	3.8
97.06528	1.3
99.04487	0.9
99.08112	0.4
101.02391	1.9
105.03398	9.3
105.04514	0.6
105.07025	2.1
106.03732	2.3
107.08592	0.7
109.02908	1.2
109.10178	2.1
111.08134	0.5
115.03938	0.5
119.08583	2.1
121.10181	1.3
123.08141	0.5
127.03925	1.6
129.07019	0.5
131.08554	0.8
133.10135	1.0
137.05957	0.6
142.64015	0.4
143.49585	0.5
147.11705	1.2
153.12880	0.5
157.10141	0.9
175.11261	0.8
184.07410	1.2
185.04205	0.7
193.12276	0.9
203.05273	0.8
205.15903	0.8
223.17015	1.8
224.17348	1.0
243.08363	2.3
251.12567	0.8
328.57635	0.4
337.27335	0.7
387.21133	0.8
469.20520	9.6
470.21063	0.6
491.20529	1.0
492.20975	1.2
521.30914	4.6
537.02362	0.5
691.40521	1.0
696.36743	0.5
749.44421	100.0
750.44727	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01875	0.7
55.05513	1.7
57.03434	2.5
57.07067	1.2
57.36466	0.3
60.08152	0.3
61.02926	7.1
65.03944	0.3
67.05503	8.9
69.03431	4.9
69.07066	2.4
71.01358	0.6
71.04997	3.1
71.08635	0.7
71.31014	0.5
73.02914	4.7
79.05490	5.3
81.03413	4.0
81.07054	7.0
83.04993	0.8
83.08617	1.6
85.02909	7.5
85.10221	0.4
86.09696	1.4
87.04466	1.2
91.03957	4.5
91.05473	3.8
93.07040	5.8
95.04984	1.1
95.08606	5.4
95.09158	0.4
97.02900	6.3
97.06543	1.1
97.10172	0.5
99.04475	1.1
101.02384	2.2
103.03958	0.6
105.04541	0.3
105.07035	2.3
107.08588	3.0
109.02900	1.1
109.10159	4.2
111.04454	0.5
111.08100	0.7
115.03899	0.5
117.07047	0.8
119.08575	3.4
121.06520	0.4
121.10129	2.6
123.11779	0.6
125.00031	1.2
126.63514	0.3
127.03922	1.8
129.05537	0.3
129.07004	0.7
131.04913	0.4
131.08585	1.1
133.10135	1.2
135.08119	0.4
135.11682	2.1
137.09579	1.3
140.86212	0.3
143.08511	0.4
145.10121	1.7
147.11754	1.2
149.13297	0.7
157.10120	0.7
159.11760	0.5
161.09596	0.3
161.13318	0.5
163.11205	0.4
173.11816	0.6
173.13222	0.5
184.07329	6.9
184.08899	0.4
185.04272	0.8
193.12276	0.8
195.00314	0.9
195.11751	0.4
201.16492	0.4
203.05325	0.6
243.08405	2.1
243.16158	0.5
253.14090	1.9
267.15884	1.5
301.30780	0.3
306.24286	0.3
313.27374	1.4
335.26004	0.8
439.19220	0.4
440.21106	0.3
471.22113	4.1
472.21994	0.5
487.34491	0.3
505.38992	0.9
519.29309	9.2
520.29529	1.3
749.44379	100.0
750.44733	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
55.01867	0.3
55.05492	1.2
56.05032	0.4
57.03423	0.8
57.07071	1.1
58.06612	0.4
60.08168	5.9
60.22783	0.3
66.48457	0.3
67.05506	2.7
69.03417	0.4
69.07073	1.4
71.07379	5.1
71.08619	0.5
79.05485	1.6
81.03417	3.0
81.07059	2.8
83.04973	1.0
83.08652	1.6
86.09706	35.1
87.04456	1.2
87.10041	0.7
91.05482	1.3
93.07041	1.8
95.04964	0.9
95.08588	2.1
98.98458	4.2
104.10746	2.4
105.07043	1.8
107.04932	0.4
107.08585	1.2
109.02857	0.3
109.06535	0.4
109.10140	1.2
111.04440	0.5
111.08075	0.4
117.06999	0.4
119.08579	1.7
121.06492	0.5
121.10144	0.6
123.08080	0.3
125.00004	25.1
129.06984	0.4
131.08582	1.1
133.10112	0.8
135.11679	0.7
137.09622	0.4
143.08522	0.6
145.10139	1.1
147.11710	1.1
149.09642	0.4
155.08534	0.4
157.10190	0.8
159.11758	0.5
160.11244	0.6
161.11597	0.5
171.11620	0.4
175.11156	0.5
184.07343	100.0
185.07700	2.0
185.13263	0.4
193.12242	1.0
195.00374	0.6
195.11662	0.6
203.17967	1.0
207.11722	0.5
229.14261	0.3
239.14227	0.4
258.08994	0.8
259.09125	0.5
267.15927	4.3
268.16003	0.4
311.25830	1.7
313.27307	1.1
314.27768	0.7
445.34354	0.3
477.26022	0.7
503.37280	1.7
553.40967	0.6
650.43652	0.7
654.29993	0.5
700.46124	0.4
718.46136	1.1
750.46307	4.0
751.45001	1.2
759.92926	0.4
770.08026	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.7
54.00556	1.0
55.01881	1.9
55.05519	18.4
57.03443	13.3
57.07080	9.9
59.28312	0.9
60.08157	1.5
61.02925	2.4
65.03941	2.1
67.05508	25.5
68.05857	1.5
69.03440	3.1
69.07072	25.5
70.32236	0.9
70.32594	3.4
71.05009	2.3
71.08638	4.0
73.02935	1.7
73.47288	0.9
79.05493	17.0
79.05913	1.6
81.03421	57.7
81.07062	31.7
82.03757	2.4
82.07387	1.5
83.04987	5.6
83.08624	26.8
85.02921	3.6
85.06567	1.7
85.10180	1.5
86.09704	5.4
87.04469	4.7
91.04003	1.6
91.05488	13.5
93.07047	18.7
95.04973	17.8
95.08613	25.1
96.08984	1.1
97.02903	3.5
97.06544	4.2
97.10175	8.2
98.15182	1.0
98.23068	1.6
99.08134	0.9
105.04546	1.3
105.07036	12.5
107.04976	3.9
107.08597	13.9
107.09261	1.2
109.06515	3.1
109.10166	10.3
111.04486	2.0
111.08082	7.5
111.11734	1.6
117.06997	2.7
119.04937	2.0
119.08580	11.6
121.06517	2.6
121.10157	16.3
123.04482	1.7
123.08091	2.2
123.11693	4.3
125.00004	3.1
125.09636	2.5
128.06174	1.3
129.07040	6.6
131.08569	6.4
133.06496	2.4
133.10130	4.9
134.10394	1.0
135.08037	1.8
135.11700	8.8
137.06055	1.2
137.13248	2.4
139.11179	1.6
142.07767	1.4
145.10150	3.8
147.08081	2.2
147.11703	9.0
148.12122	1.1
149.09636	4.0
149.13264	2.9
155.08653	1.3
157.10126	9.3
159.08109	1.2
159.11647	2.1
160.48282	0.9
161.13263	1.4
163.11174	1.2
163.14853	1.6
165.12833	1.5
169.10236	1.4
171.11688	1.0
175.11163	7.6
181.09984	1.0
184.07353	15.1
189.12944	1.0
193.10406	0.9
193.12253	21.8
203.17952	2.7
211.13310	2.1
219.21043	2.1
237.22183	3.0
242.91756	1.0
247.15199	1.2
249.14857	1.7
267.15921	100.0
268.16333	7.3
301.14365	1.4
309.16757	1.6
311.25809	76.9
312.26111	6.4
313.27356	2.3
335.94955	1.2
429.33734	2.8
433.27725	1.5
459.25485	1.6
477.26208	1.9
502.26025	1.0
503.37323	64.2
504.37659	9.1
506.39481	1.1
521.38403	8.4
545.38507	1.3
599.39240	1.5
750.44757	21.1
751.44800	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01876	0.4
55.05513	7.9
61.82846	0.1
65.03937	0.5
67.05486	0.2
69.03424	0.2
83.04981	48.5
84.05299	0.8
85.02905	0.7
92.02625	0.6
93.03418	0.7
96.06531	0.2
101.06045	0.4
111.04443	100.0
112.04795	2.0
118.74239	0.2
121.02891	0.6
127.03939	0.7
128.06161	0.2
129.05470	1.6
137.06007	0.3
139.03903	0.4
151.03929	0.5
153.01892	3.6
153.05464	48.5
154.05797	1.4
162.05544	0.2
166.75702	0.2
171.06516	3.8
172.33873	0.2
173.78294	0.2
201.05447	0.5
203.03421	0.2
209.46262	0.2
210.43564	0.2
213.07591	1.8
217.05019	0.5
218.05783	0.3
227.57684	0.2
228.04195	0.8
229.04930	1.6
231.02995	0.2
245.04568	0.4
246.05144	0.6
257.04440	1.2
271.06073	0.3
273.04001	1.1
273.09683	3.0
274.04730	2.1
275.05045	0.2
285.03961	2.4
287.01733	0.2
302.04178	5.8
317.06549	51.7
318.06900	3.0
359.07159	0.2
455.19827	0.2
511.38861	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
58.83345	0.4
67.05498	0.5
69.07075	0.5
73.44263	0.4
81.07072	1.3
84.96845	0.4
87.04455	0.7
91.05470	1.0
93.07050	0.5
95.08608	0.6
98.23402	1.3
103.38952	0.4
105.07010	0.5
121.10167	0.6
145.10133	0.6
147.11775	0.6
214.16502	0.4
229.45367	0.5
278.12952	0.6
283.09656	0.8
301.10776	1.4
309.14868	0.8
310.15723	0.7
313.27576	0.7
323.12897	0.7
326.14984	0.7
369.17072	1.4
372.15659	1.0
379.11600	1.1
393.13101	1.0
394.13541	0.6
408.15521	0.6
429.09045	0.5
457.45529	0.4
473.15567	0.8
485.15833	1.7
501.15341	1.8
505.39194	0.6
513.18982	1.5
515.16650	4.3
516.17554	2.1
529.18445	1.1
530.18793	0.7
531.19897	53.7
532.20135	5.8
751.37952	100.0
752.38354	20.4
752.48883	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	16.5
56.55996	5.1
57.03437	5.4
57.07077	42.8
57.84435	5.4
67.05502	40.7
69.07072	14.3
70.49543	11.1
71.08640	23.1
71.73917	4.3
79.05499	30.9
81.07056	45.3
83.08617	12.3
85.02891	7.5
85.10175	10.7
87.04478	8.1
91.05483	44.2
93.07039	37.4
95.04971	7.2
95.08600	42.5
97.10188	9.2
103.38192	5.6
105.07024	49.2
107.08606	26.0
109.10151	15.9
117.07009	13.0
117.23699	4.9
119.08566	49.1
121.10133	22.1
123.11719	5.4
129.07037	6.9
131.08565	19.7
133.10118	32.7
135.11703	16.3
143.08559	7.8
144.77367	4.5
145.10144	14.8
147.11670	30.0
149.13307	8.4
157.10133	11.9
159.11729	15.4
160.87007	5.8
161.13216	25.7
171.11702	11.2
173.13292	9.3
175.14879	6.7
184.07425	5.5
185.13330	8.4
231.21046	6.3
241.19559	20.1
259.20529	62.4
260.21179	6.1
313.27353	100.0
315.22980	4.9
333.24203	41.8
433.24213	4.9
506.67590	5.1
555.43054	5.1
571.47534	9.0
589.48157	14.8
679.49115	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.5342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	16.6
57.03429	10.4
57.07074	36.8
67.05505	40.2
69.07066	13.5
69.76525	14.7
71.08634	23.8
73.02907	3.0
79.05492	24.6
81.03430	7.4
81.07060	49.8
83.08620	11.8
85.02919	5.6
85.06565	4.0
85.10173	14.5
87.04483	6.8
91.05486	40.5
93.07053	31.4
95.05040	3.3
95.08603	33.9
97.02888	4.2
97.10181	4.6
105.07033	46.0
107.08590	21.6
109.10173	19.0
117.07031	11.9
119.08578	34.6
121.10142	21.0
123.11701	7.7
129.07004	9.1
131.08559	16.2
133.10136	31.6
135.11650	18.0
143.08562	7.9
145.10152	17.8
146.10487	3.8
147.11694	35.7
149.13257	8.8
157.10132	10.5
159.11687	15.9
161.13222	22.3
163.14827	6.4
169.10132	3.3
171.11710	9.4
173.13278	10.2
175.14806	11.3
180.58293	2.9
183.11597	4.6
185.13261	10.9
209.13312	3.5
213.12758	4.1
217.19702	3.8
231.21097	6.2
239.23683	4.0
241.19536	32.9
259.20547	70.8
260.20871	4.0
273.21939	3.5
313.21704	3.8
313.27365	100.0
314.27515	7.4
333.24240	44.8
351.25275	3.7
367.22757	6.3
385.23798	5.5
463.28189	3.9
477.28839	4.4
480.08212	3.6
571.46985	9.4
589.48560	23.3
613.47852	3.6
679.49139	6.9
715.50977	4.7
733.52148	6.8
751.53137	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.4
69.06725	4.6
69.07138	14.3
70.66067	1.7
70.78868	1.8
79.05498	4.6
91.05473	11.3
92.67638	1.9
94.04169	2.2
95.04975	2.8
102.14079	1.9
103.05474	4.3
105.07029	3.6
105.36636	1.7
107.04951	3.7
109.06568	2.5
115.05485	3.2
117.07077	2.7
119.04933	9.1
121.06502	6.3
122.03662	8.4
123.04470	2.4
129.07018	4.7
131.04942	5.6
131.08568	3.9
133.02831	2.2
133.06512	3.0
137.05969	100.0
138.06306	4.3
141.06964	2.3
145.06471	2.9
147.04417	6.3
148.05153	2.7
149.05963	9.7
151.03926	8.2
151.07527	16.4
153.05458	3.4
157.06445	4.7
159.08055	3.4
161.04689	1.5
161.05960	44.5
161.07204	3.3
161.09612	6.8
162.05431	3.3
162.06699	2.5
163.07561	6.8
165.06949	3.4
166.07643	2.2
174.06828	7.7
175.07542	17.6
179.07072	4.4
179.08582	2.5
181.06390	4.5
183.08026	2.1
185.05980	2.7
187.07532	7.0
189.09081	18.7
191.08281	3.9
193.06519	3.2
194.07370	3.0
195.08090	4.2
195.10112	3.2
199.07643	5.2
201.09122	4.3
205.06561	2.7
207.08246	3.6
207.10150	15.4
209.09668	2.9
210.06747	3.4
211.07553	6.3
213.09119	8.2
215.10558	2.0
219.08197	4.0
219.10129	17.8
221.05984	4.9
222.06802	3.4
223.07480	4.5
225.09160	4.6
234.06831	2.1
235.07542	4.1
237.09097	5.5
239.07121	2.6
241.08472	3.7
243.10211	6.5
245.09497	2.2
247.07524	3.3
249.09021	4.4
250.06273	2.3
250.09747	2.5
251.10718	3.1
253.08595	9.3
255.10242	2.6
262.06293	2.4
263.07147	2.0
264.07919	3.6
265.08606	10.0
267.10144	5.8
271.45090	2.0
273.11172	4.5
277.08511	6.0
279.10187	6.2
281.08142	3.3
283.09549	5.6
285.11331	12.9
291.10208	5.4
293.08392	2.1
293.11606	2.2
294.08868	2.6
295.09473	3.7
296.10431	2.7
297.11172	16.6
298.12003	3.0
299.12842	2.7
305.11661	3.4
307.09717	3.3
309.11215	7.2
311.12845	9.9
315.12424	4.9
317.11642	3.7
321.11221	3.5
322.11829	5.2
323.12659	5.3
327.12253	8.8
329.13965	12.2
331.15369	4.0
335.12851	3.4
337.14679	4.7
341.13892	4.8
343.15488	3.1
347.12823	2.2
349.14209	3.0
355.15350	19.0
365.14029	2.7
367.15482	23.7
379.15472	5.2
385.16537	2.7
397.16443	44.7
398.16656	3.7
415.17465	7.9
431.14471	2.7
433.15872	2.4
445.16168	5.2
459.17538	2.1
471.17886	2.3
475.17542	2.8
477.18958	8.9
487.17249	3.0
489.18958	4.0
503.20648	2.7
515.21283	2.7
527.20160	2.2
545.21399	3.5
609.24695	3.1
610.24786	2.0
627.25763	7.0
639.26019	3.2
651.26331	4.2
657.26154	5.6
669.27112	3.2
753.26257	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.3
55.01872	14.5
55.05514	13.3
57.03445	3.7
61.83552	1.4
65.03947	2.6
67.05505	32.1
69.07071	18.4
71.05000	1.9
71.30110	1.4
71.30574	2.7
74.50336	1.4
79.05495	34.8
81.03419	5.9
81.07061	38.6
83.04987	6.4
83.08607	4.6
85.06558	2.1
91.05481	43.5
93.07044	30.3
93.07630	2.3
95.01319	4.3
95.04979	11.0
95.08610	23.7
97.06530	25.7
97.10174	2.7
98.28620	1.6
103.05448	1.6
105.07032	55.0
107.04945	13.0
107.08600	12.0
109.06536	2.8
109.10149	6.8
117.07017	9.1
119.08574	25.4
121.06493	3.7
121.10143	6.3
123.04443	1.9
123.08098	3.0
123.11804	1.5
127.19125	1.3
129.06993	5.0
131.08545	9.8
133.06482	1.9
133.10144	22.7
135.08078	2.2
135.11736	4.7
143.08554	5.9
145.10124	11.9
147.11690	19.4
149.09608	6.1
149.13255	2.9
151.11142	1.5
159.11725	8.0
161.13258	6.6
163.11223	4.0
169.10106	1.4
171.11690	8.5
177.12749	2.8
179.14337	6.6
183.11783	1.6
189.12775	3.4
207.13811	6.3
253.81346	1.6
257.19037	3.3
275.20065	48.9
276.20261	3.9
279.15903	2.1
281.17487	36.1
284.18454	1.6
293.21161	4.3
301.66815	1.7
340.60999	1.6
347.11667	1.6
349.23703	18.8
365.16998	3.7
537.35950	2.5
555.36798	100.0
556.37061	12.2
650.45459	1.6
753.43542	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.3
55.05516	7.8
57.03434	14.2
57.07077	32.2
67.05495	14.6
69.03427	2.6
69.07073	6.9
70.49345	3.5
71.08629	25.1
79.05494	8.6
81.03419	68.5
81.07057	15.8
83.04977	3.5
83.08617	19.6
84.06878	1.2
85.10181	14.5
91.05485	11.2
93.07052	6.4
95.04973	20.2
95.08605	17.1
97.02910	2.2
97.06555	1.2
97.10182	4.7
98.22736	1.2
103.07586	1.3
105.07021	7.6
107.04955	3.7
107.08642	2.2
109.06534	2.1
109.10151	10.3
111.08056	5.2
113.49998	1.1
114.78326	1.1
115.05479	1.5
119.04965	1.3
119.08598	7.4
121.06545	2.4
121.10165	4.9
123.11722	3.1
129.07024	5.2
131.08556	8.7
133.06453	1.2
133.10143	2.3
147.08058	2.6
147.11690	4.3
149.09599	2.2
157.10129	6.9
175.11128	7.4
184.07405	1.5
188.01251	1.2
193.12241	25.8
235.13330	1.4
239.23674	2.0
247.12839	1.1
249.14914	2.3
257.24759	3.4
267.15918	99.6
268.16217	6.6
301.14282	1.8
313.27353	100.0
314.27710	6.9
505.38852	73.7
506.39420	8.1
547.39764	2.3
559.52185	1.2
601.40564	1.4
706.65070	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.5
55.05521	8.0
57.03443	11.2
57.07076	28.4
61.02938	2.0
67.05507	20.6
69.03415	2.1
69.07063	8.3
71.05023	1.6
71.08630	18.1
71.30499	1.7
79.05492	14.6
81.03419	44.5
81.07056	23.4
83.04975	3.8
83.08624	16.4
85.02905	3.0
85.06543	1.8
85.10197	11.3
86.09696	3.3
91.05477	14.4
93.07029	12.6
95.04966	16.3
95.08610	23.2
97.02874	2.7
97.06539	3.5
97.10189	5.3
105.07043	15.3
107.04981	4.2
107.08637	7.7
109.10133	9.2
111.04463	1.6
111.08074	3.7
117.07033	3.5
119.08566	13.7
121.10176	5.7
123.11704	5.1
125.00017	3.2
129.07027	6.8
131.08577	8.6
133.06505	2.0
133.10167	2.5
137.13249	2.2
145.10118	3.6
147.08095	1.9
147.11708	7.8
149.09653	3.1
157.10147	6.9
159.11772	2.4
161.13284	2.5
175.11150	7.6
179.14214	1.7
183.78661	1.7
184.07353	13.3
193.12250	20.4
229.14447	2.0
239.23798	3.0
249.14792	2.0
257.24908	2.2
267.15915	79.5
268.16229	5.9
281.17572	3.0
301.14529	2.2
309.17197	1.6
313.27356	100.0
314.27734	6.6
335.25809	6.1
476.21292	2.0
505.38837	73.3
506.39426	8.1
541.38696	2.2
547.39618	3.7
555.40332	6.0
563.25995	1.8
611.46228	4.5
622.27002	4.5
623.28168	10.8
624.27789	1.9
752.47266	13.3
753.43079	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5283
Annotation	Unknow
Peak:m/z	Relative Intensity
64.30081	0.3
67.05502	1.0
67.42763	0.3
69.20512	2.7
79.05485	1.0
81.07053	1.3
91.05487	0.6
91.10988	0.3
93.07060	1.3
95.08617	1.1
98.22585	0.6
104.28154	0.4
105.07045	1.5
107.08611	0.5
109.10155	0.6
119.08587	0.6
121.10162	0.6
124.91907	0.3
131.04935	0.4
133.10141	0.6
145.10178	0.5
147.11725	0.5
159.11635	0.4
170.93988	0.4
203.05255	0.5
203.17934	0.5
303.22897	0.6
320.25729	0.6
410.16620	0.5
465.28732	0.4
498.30389	4.6
499.30719	0.5
572.46863	0.8
590.47717	0.8
611.47168	1.0
630.34778	1.9
734.50940	0.5
751.04645	0.4
752.52783	100.0
753.53125	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
67.59959	0.3
70.58064	0.7
75.66508	0.3
91.05515	0.3
98.62154	0.3
101.01818	0.3
103.05476	0.3
107.05004	0.5
117.34462	0.2
120.62895	0.3
125.06037	0.3
131.04961	0.5
133.85208	0.3
137.05977	0.4
145.02896	0.7
147.04381	0.4
153.71732	0.3
159.04156	1.6
167.71255	0.3
171.04234	0.7
172.05013	0.3
175.03667	0.7
177.05536	0.8
185.05807	1.1
201.05359	0.3
202.85475	0.3
216.03947	0.5
235.24838	0.3
236.46585	0.3
244.07065	0.4
365.10095	0.7
379.11584	0.4
380.12265	1.7
381.13419	0.4
395.11124	0.5
559.19781	0.4
738.22424	0.4
753.25104	100.0
754.25482	15.5
754.39282	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.7
55.01863	12.1
55.05513	23.1
56.05429	1.8
57.03439	19.0
59.05009	3.1
61.02939	2.1
65.03938	2.7
66.65168	1.7
67.05502	55.1
69.03423	18.8
69.07056	9.7
71.01363	3.0
71.04990	12.2
71.30761	1.7
71.31148	2.5
73.02926	3.8
75.32116	1.8
77.33350	1.5
79.05492	44.5
81.03417	100.0
81.07056	42.4
82.03767	2.5
83.04986	22.4
83.08617	25.3
85.02911	21.5
91.05482	45.6
93.07043	34.1
94.04218	2.2
95.04967	37.3
95.08604	19.9
97.02892	15.6
97.06518	9.9
97.10162	12.2
98.03687	8.7
98.07320	2.3
99.04461	5.9
99.08105	2.6
103.03954	1.8
105.07037	28.4
107.04955	21.7
107.08582	19.7
109.02885	9.1
109.06491	8.9
109.10157	21.5
110.07310	4.6
111.04457	8.2
111.08083	12.6
113.06037	3.7
115.05495	1.7
116.04740	2.2
116.90271	1.7
117.07001	9.1
119.08579	22.2
120.17533	1.8
120.86675	1.5
121.06512	6.4
121.10134	21.2
123.04443	6.5
123.08089	8.2
123.11696	3.1
125.05994	2.3
125.09607	10.9
127.03932	9.5
129.05473	4.3
129.07014	12.1
131.08560	12.6
133.06499	3.9
133.10130	18.4
135.04457	3.2
135.08084	4.4
135.11711	9.2
135.74594	1.6
137.06006	2.5
137.09602	5.7
145.06471	2.8
145.10117	10.2
147.08063	7.9
147.11676	16.7
149.09644	7.8
151.11107	2.2
153.05469	3.3
153.09050	3.4
153.12727	3.0
157.10147	14.5
161.09630	2.4
163.11183	12.6
165.12781	4.9
173.04451	21.1
173.09607	3.5
173.11765	4.8
175.11189	14.2
181.12248	4.3
184.07292	2.6
189.09399	2.0
189.11174	4.1
191.10699	9.3
193.12238	42.6
194.12556	2.8
199.06036	6.3
205.12323	2.4
209.11734	6.4
211.13290	46.4
212.13705	2.1
219.16560	1.9
224.14035	3.5
227.12761	10.9
229.14429	9.0
239.12772	1.9
265.14227	3.3
267.15906	31.9
272.66397	2.0
283.15359	8.6
285.16943	21.0
301.16473	5.5
315.18042	4.7
354.64862	2.1
365.21027	2.0
383.22079	2.2
411.19736	2.2
421.25732	6.9
427.19360	1.9
435.27469	3.1
439.26913	32.9
440.27219	4.2
445.20816	2.9
446.57767	1.8
447.27063	2.1
457.26099	8.8
475.26929	18.7
476.27454	2.8
477.28482	3.5
493.27829	10.1
494.28867	2.7
507.29761	12.5
508.30325	2.7
510.46857	1.9
511.29230	8.8
621.32556	3.2
639.33618	4.2
655.32623	4.8
662.05829	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
55.01857	2.1
55.02094	0.6
55.05514	11.3
56.05019	0.8
57.03197	0.7
57.03440	8.1
57.07078	5.7
58.06604	1.1
59.04999	0.8
60.08162	6.9
61.02938	2.3
63.76940	0.5
65.03934	1.7
67.05505	32.5
67.23901	0.5
68.05839	0.7
69.03424	2.4
69.07073	7.8
69.24375	3.0
71.04976	2.0
71.07372	4.1
71.08628	4.1
73.02907	0.9
74.54043	0.5
75.50539	0.5
77.03912	0.5
79.05494	19.9
80.05830	0.5
81.03423	4.4
81.07056	23.6
82.07394	0.9
83.04987	3.0
83.08623	6.1
85.02909	3.9
85.06519	0.9
85.10170	2.1
86.09705	30.4
87.04455	1.0
91.03947	0.9
91.05486	12.2
93.07043	18.6
95.04968	7.1
95.08608	15.7
97.02882	1.7
97.06519	2.7
97.10168	7.0
98.98476	3.3
99.04409	0.7
99.08111	1.5
103.05463	0.9
104.10735	2.7
105.07022	7.7
107.04958	2.1
107.08597	10.3
108.08945	0.6
109.02878	0.9
109.06538	1.4
109.10152	13.8
111.04430	0.8
111.08071	1.7
117.07006	4.9
119.08578	5.9
121.06508	2.3
121.10138	5.5
123.08138	1.0
123.11707	1.9
125.00004	21.0
125.09618	6.3
128.06216	0.6
129.07001	1.4
131.08577	6.8
133.10129	4.8
135.08017	1.0
135.11697	4.6
137.09666	0.7
137.13292	0.5
137.34651	0.5
141.06984	0.9
141.91940	0.5
143.08537	1.6
143.10645	0.7
145.10127	4.4
147.08052	0.9
147.11705	2.3
149.09669	0.9
149.13245	2.2
151.11211	0.8
155.08554	0.8
157.10117	1.0
159.11693	3.6
161.09590	1.0
161.13281	1.3
161.60651	0.5
163.11188	1.3
169.10127	1.3
171.11722	1.1
173.11717	2.6
173.13286	2.4
175.11086	0.6
175.14772	1.0
177.12700	0.7
183.11736	0.6
184.07343	100.0
185.07663	2.1
185.13264	1.2
187.11160	1.0
187.14766	0.6
189.11247	3.1
195.11559	0.6
199.13260	1.5
201.16373	0.8
203.18002	0.8
205.12196	1.0
209.11697	1.3
209.58928	0.6
223.11090	0.7
223.13266	13.5
223.15297	1.0
224.13635	1.1
227.12752	3.4
227.35272	0.5
229.14346	9.8
239.23825	0.6
243.21140	0.9
257.24908	0.7
261.22128	3.4
279.16064	1.9
283.15411	1.2
295.19702	0.6
297.16959	28.0
298.17282	1.1
301.16455	3.6
306.15335	0.5
313.27386	14.6
314.27695	1.6
329.24686	0.5
335.21735	1.0
335.25797	20.0
336.25922	1.0
365.17307	0.7
447.32108	0.7
447.38159	0.5
455.37155	1.9
465.33279	0.7
467.37372	2.6
468.37604	0.6
483.34402	0.5
489.35883	1.5
518.26196	1.1
529.38702	0.7
539.38495	2.2
557.38428	10.6
558.38373	1.8
613.47229	0.9
650.43842	7.2
651.43988	0.9
684.95117	0.6
754.43195	5.9
755.44470	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
55.01857	2.1
55.02094	0.6
55.05514	11.3
56.05019	0.8
57.03197	0.7
57.03440	8.1
57.07078	5.7
58.06604	1.1
59.04999	0.8
60.08162	6.9
61.02938	2.3
63.76940	0.5
65.03934	1.7
67.05505	32.5
67.23901	0.5
68.05839	0.7
69.03424	2.4
69.07073	7.8
69.24375	3.0
71.04976	2.0
71.07372	4.1
71.08628	4.1
73.02907	0.9
74.54043	0.5
75.50539	0.5
77.03912	0.5
79.05494	19.9
80.05830	0.5
81.03423	4.4
81.07056	23.6
82.07394	0.9
83.04987	3.0
83.08623	6.1
85.02909	3.9
85.06519	0.9
85.10170	2.1
86.09705	30.4
87.04455	1.0
91.03947	0.9
91.05486	12.2
93.07043	18.6
95.04968	7.1
95.08608	15.7
97.02882	1.7
97.06519	2.7
97.10168	7.0
98.98476	3.3
99.04409	0.7
99.08111	1.5
103.05463	0.9
104.10735	2.7
105.07022	7.7
107.04958	2.1
107.08597	10.3
108.08945	0.6
109.02878	0.9
109.06538	1.4
109.10152	13.8
111.04430	0.8
111.08071	1.7
117.07006	4.9
119.08578	5.9
121.06508	2.3
121.10138	5.5
123.08138	1.0
123.11707	1.9
125.00004	21.0
125.09618	6.3
128.06216	0.6
129.07001	1.4
131.08577	6.8
133.10129	4.8
135.08017	1.0
135.11697	4.6
137.09666	0.7
137.13292	0.5
137.34651	0.5
141.06984	0.9
141.91940	0.5
143.08537	1.6
143.10645	0.7
145.10127	4.4
147.08052	0.9
147.11705	2.3
149.09669	0.9
149.13245	2.2
151.11211	0.8
155.08554	0.8
157.10117	1.0
159.11693	3.6
161.09590	1.0
161.13281	1.3
161.60651	0.5
163.11188	1.3
169.10127	1.3
171.11722	1.1
173.11717	2.6
173.13286	2.4
175.11086	0.6
175.14772	1.0
177.12700	0.7
183.11736	0.6
184.07343	100.0
185.07663	2.1
185.13264	1.2
187.11160	1.0
187.14766	0.6
189.11247	3.1
195.11559	0.6
199.13260	1.5
201.16373	0.8
203.18002	0.8
205.12196	1.0
209.11697	1.3
209.58928	0.6
223.11090	0.7
223.13266	13.5
223.15297	1.0
224.13635	1.1
227.12752	3.4
227.35272	0.5
229.14346	9.8
239.23825	0.6
243.21140	0.9
257.24908	0.7
261.22128	3.4
279.16064	1.9
283.15411	1.2
295.19702	0.6
297.16959	28.0
298.17282	1.1
301.16455	3.6
306.15335	0.5
313.27386	14.6
314.27695	1.6
329.24686	0.5
335.21735	1.0
335.25797	20.0
336.25922	1.0
365.17307	0.7
447.32108	0.7
447.38159	0.5
455.37155	1.9
465.33279	0.7
467.37372	2.6
468.37604	0.6
483.34402	0.5
489.35883	1.5
518.26196	1.1
529.38702	0.7
539.38495	2.2
557.38428	10.6
558.38373	1.8
613.47229	0.9
650.43842	7.2
651.43988	0.9
684.95117	0.6
754.43195	5.9
755.44470	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	11.1
55.01883	5.0
55.05514	24.5
57.03440	13.8
57.07080	4.4
58.91255	3.9
67.05152	2.9
67.05503	69.7
69.03418	4.3
69.07084	15.8
70.55923	4.9
70.56271	10.2
71.04989	3.7
79.05496	88.8
81.03422	9.4
81.07059	66.7
83.04985	14.8
83.08624	16.8
91.05487	97.2
93.07046	98.0
95.04990	17.6
95.08615	51.8
97.06557	7.8
97.10159	6.5
105.07035	100.0
107.04961	9.9
107.08618	35.0
109.06533	7.3
109.10155	10.0
117.07022	23.3
119.08588	68.3
121.06538	7.5
121.10136	21.8
123.08134	5.1
124.64821	4.1
128.06194	6.8
129.07008	22.3
131.08569	25.6
133.10120	40.4
135.11687	13.3
143.08572	15.4
144.87753	4.0
145.10094	29.1
147.11688	66.7
149.13261	7.7
155.08525	4.5
157.10167	4.9
159.11676	20.0
161.09706	5.6
161.13261	35.0
163.14746	4.6
171.11662	36.7
173.13185	9.4
175.14845	10.4
177.12721	5.2
184.07411	10.3
185.13318	8.1
189.12804	7.1
199.14810	6.6
207.13782	19.0
231.21114	7.5
235.66222	3.8
241.19603	30.5
252.69827	4.1
259.20569	64.3
260.44928	4.0
261.22406	3.9
279.16010	15.5
281.17435	59.6
302.60391	5.0
315.23337	4.3
333.24268	41.8
365.17407	5.3
447.32928	6.0
465.33548	5.1
539.37317	69.9
540.37445	9.2
557.38403	25.6
754.43726	21.8
755.43579	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
55.83156	0.2
67.04239	0.3
67.87518	0.1
68.99767	0.2
73.98563	0.1
75.29549	0.2
87.21476	0.1
89.79725	0.2
95.04950	0.2
98.23351	0.5
102.36949	0.2
105.07051	0.9
115.05457	3.1
117.05772	1.4
119.04893	0.2
123.04447	3.4
124.04781	0.2
127.03922	7.5
130.06502	0.2
131.04956	0.4
131.30145	0.2
132.07146	0.3
132.08098	4.3
133.05261	0.2
133.06482	0.9
133.08403	0.2
135.04408	2.3
137.02292	0.2
139.03905	4.8
142.06517	0.7
143.07315	0.4
147.04427	0.5
149.02284	0.4
151.03946	1.2
159.04407	0.2
159.06798	0.7
159.50249	0.2
160.07579	100.0
161.07930	4.2
163.02666	0.3
163.03905	2.7
165.05482	0.6
167.03415	0.5
177.10240	11.1
178.10574	0.7
179.03413	0.4
185.05959	0.2
187.03879	0.4
189.05498	0.2
191.03419	1.0
193.05026	0.4
201.05542	0.5
203.03381	0.5
205.04919	0.2
215.03337	0.2
228.33215	0.2
228.99329	0.2
229.04964	0.6
231.06543	0.2
233.04414	0.9
243.06689	0.3
244.04321	0.3
245.04463	0.6
247.06023	1.7
251.05499	0.3
257.04419	1.0
259.06018	0.9
269.04361	0.3
271.05978	1.5
273.07516	0.2
275.05463	1.3
283.05963	0.6
287.05457	1.9
289.07101	2.7
291.08621	3.1
292.09003	0.2
299.05530	0.3
301.07083	1.5
303.08621	0.5
336.17981	0.2
379.07813	0.2
409.09146	2.6
427.10236	2.4
428.10809	0.2
453.11926	0.4
572.31616	0.2
579.14886	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.2
55.01863	4.1
55.05515	21.9
57.03441	17.7
59.04994	1.2
59.97117	1.1
65.03934	3.0
67.05505	36.3
69.03422	7.4
69.07073	12.0
69.99342	2.1
69.99731	2.2
71.01350	3.0
71.04990	6.0
73.02911	1.3
73.83364	1.3
79.05492	37.2
81.03419	89.6
81.07056	40.8
82.03767	1.5
82.07403	1.3
83.04981	23.0
83.08617	30.9
83.09109	1.7
85.02902	27.2
85.06535	2.4
87.04458	1.3
91.05478	47.5
93.07040	26.2
95.04964	38.4
95.08604	14.7
97.02905	4.4
97.06532	4.5
97.10168	6.3
99.04449	3.0
99.08085	1.3
105.07033	35.3
107.04953	11.5
107.08589	14.0
109.02874	4.3
109.06519	7.5
109.10153	4.6
111.04425	5.7
111.08068	14.7
113.05978	2.5
115.05453	3.3
117.07035	4.7
119.08579	26.0
121.06482	2.9
121.10159	14.9
123.08072	5.9
123.11711	2.4
125.06055	1.5
125.09613	3.8
127.03876	1.7
129.07021	14.1
131.08572	16.9
133.06506	5.1
133.09206	1.9
133.10136	19.0
137.05969	2.1
137.09627	3.5
142.07799	3.2
143.08574	1.1
145.10112	4.7
147.08035	6.0
147.11685	17.6
149.09628	8.6
151.11145	1.5
155.08600	1.9
157.10112	16.4
163.11191	3.4
165.12776	4.2
175.11171	20.3
179.10638	1.3
193.12242	63.9
194.12596	2.6
203.10672	2.2
211.13290	100.0
212.13658	4.5
227.12744	1.6
229.14301	1.5
247.13393	1.6
249.14870	2.7
267.15921	49.6
267.18832	2.6
268.16238	1.5
285.16971	69.5
286.17316	3.8
299.14859	8.4
317.15759	1.5
367.22705	2.9
385.23837	3.3
399.17694	3.4
403.24902	2.0
433.25543	1.7
459.27426	25.3
460.27789	2.5
473.25333	5.3
477.28552	34.1
478.29044	3.9
491.26462	7.0
493.17142	2.0
495.29550	66.0
496.29755	7.4
509.27402	2.6
511.18512	3.3
515.22705	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
53.53457	0.9
55.01601	1.3
55.01868	23.1
55.05511	47.7
57.03154	1.9
57.03435	31.9
57.07086	4.6
59.05000	45.3
59.21778	0.9
61.02928	7.0
65.03933	3.5
65.53787	0.9
66.04233	0.9
67.05504	100.0
68.05845	2.3
69.03438	11.1
69.07066	12.2
70.04178	1.0
71.01344	3.3
71.04990	14.6
71.29070	2.1
73.02906	6.8
78.47594	0.9
79.05489	45.0
80.05827	1.2
81.03419	25.2
81.06577	2.3
81.07053	40.4
82.03744	1.1
82.04199	3.9
82.07389	1.1
83.04980	20.2
83.08614	23.1
85.02894	11.2
85.03288	1.0
85.06550	6.0
87.04467	59.9
91.03968	1.5
91.05482	32.1
92.05836	1.1
93.07042	23.3
94.04217	1.7
95.04970	17.3
95.08606	18.5
97.02896	9.7
97.06534	9.2
97.10170	32.4
98.07324	6.8
98.10519	1.4
99.04453	18.0
99.08103	2.3
101.06026	2.9
103.03943	1.2
103.05428	1.4
105.04492	1.6
105.07042	15.3
107.04969	7.5
107.08589	19.9
109.02893	1.8
109.06490	5.1
109.10154	78.3
110.10483	2.8
111.04440	6.0
111.08073	6.7
113.06019	2.2
115.03915	2.3
115.05489	1.6
116.04713	10.9
116.64643	1.0
117.05470	2.7
117.07019	5.3
119.08579	14.6
121.06487	3.8
121.10134	9.2
123.04372	1.2
123.08067	7.2
125.06004	1.5
125.09631	35.0
127.03954	2.1
127.11234	2.9
129.05478	29.0
129.06917	5.0
131.08572	6.8
133.06453	1.7
133.10118	7.0
135.08052	3.6
135.11713	8.2
137.09628	6.6
139.07526	1.4
139.11137	1.0
142.07823	1.3
143.07048	6.3
143.08618	1.4
143.10686	3.6
145.06464	1.2
145.10162	8.1
147.08015	3.1
147.11687	3.8
149.09627	4.6
151.11131	1.5
153.09103	1.9
153.12767	4.9
155.10649	7.0
157.08615	12.8
157.10123	4.6
158.05785	1.5
161.09483	1.5
163.11171	13.7
164.11960	1.1
165.09134	1.0
165.12724	1.5
171.06586	3.7
171.10083	5.0
173.04445	1.1
173.09550	3.0
173.11739	26.6
174.92581	1.1
175.11221	4.1
181.12189	5.4
184.07292	1.0
185.08095	3.0
185.11688	1.5
189.11237	9.3
190.04669	1.2
191.10674	4.5
193.12259	7.4
194.12712	1.0
199.09680	2.2
199.13303	18.8
199.15109	1.4
200.13982	5.8
201.14850	1.5
209.11708	14.3
210.12508	2.0
211.13350	4.0
213.11290	1.7
217.14305	4.0
223.13319	2.7
227.12773	15.9
229.14348	69.3
230.14662	4.0
241.14326	3.6
242.14996	2.0
255.15903	3.7
257.13940	2.3
267.15918	11.9
271.15271	1.3
283.15384	13.7
283.18802	2.2
284.16113	2.5
285.16739	1.3
287.18478	2.2
301.16425	50.4
302.16766	3.5
315.18008	4.1
324.86072	1.0
325.19940	1.3
326.24466	2.0
329.15887	1.7
353.23203	2.7
354.23770	1.2
371.24399	1.8
383.24146	3.7
409.25974	1.3
421.25821	4.0
425.25519	2.6
437.25232	3.2
438.26044	5.4
443.26312	3.2
455.26407	41.3
456.26706	3.6
477.27148	1.1
509.27609	1.4
541.30017	14.9
542.30518	2.4
559.31067	12.1
594.85223	1.1
756.37756	2.5
757.35889	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.5
55.01874	16.3
55.05510	48.2
57.03438	34.3
57.07077	4.3
59.05000	48.1
61.02927	5.0
65.03937	5.3
66.04737	1.3
67.05505	100.0
68.05833	1.5
69.03426	10.7
69.07069	12.3
71.01354	3.2
71.04995	12.3
72.23617	1.0
73.02906	7.3
79.05491	39.8
80.05842	1.1
80.06303	1.1
81.03421	28.6
81.07057	36.9
81.43173	1.0
82.04211	3.7
82.07394	1.3
83.01357	1.9
83.04980	19.3
83.08617	18.5
84.02110	1.5
85.02908	7.4
85.06535	5.0
87.04466	63.9
91.03947	1.7
91.05478	27.0
93.07042	20.5
95.04962	19.8
95.08609	15.3
96.05798	1.1
97.02888	10.1
97.06525	8.9
97.10175	25.5
97.10772	2.0
98.07315	5.5
99.04446	15.7
99.08101	2.3
101.06045	1.5
103.03979	1.1
105.04526	1.3
105.07019	11.7
106.47987	0.9
107.04954	7.5
107.08600	18.8
109.02905	2.6
109.06519	5.0
109.10155	73.9
110.07286	1.3
110.10480	1.8
111.04420	5.1
111.08090	7.4
115.03922	1.8
116.04720	10.5
117.05516	1.9
117.07040	7.2
119.08576	15.9
121.06496	3.2
121.10147	10.2
123.04430	2.1
123.08068	6.8
123.11611	1.6
125.05994	1.3
125.09634	32.1
127.03889	1.6
127.11219	2.7
129.05481	24.8
129.06943	5.6
130.05795	1.1
131.08566	7.6
133.06470	1.3
133.10107	7.8
135.08078	3.8
135.11685	7.3
137.09612	6.7
143.07086	5.9
143.10709	3.3
145.06473	1.2
145.10120	6.6
147.08096	2.0
147.11682	5.2
149.09650	4.6
151.11238	1.3
153.09102	2.0
153.12776	3.6
155.08636	1.5
155.10628	6.7
157.08630	14.1
157.10103	4.2
158.05742	1.6
163.11171	13.0
171.06541	4.0
171.10167	3.9
173.04472	1.2
173.09616	2.9
173.11737	26.7
175.11191	3.2
181.12256	4.4
184.07356	2.1
185.08209	1.8
185.11691	2.2
189.11247	6.0
191.10744	4.4
192.11423	1.3
193.12199	8.4
197.11674	1.5
199.09662	4.0
199.13274	16.8
200.14040	6.1
201.14928	1.1
209.11784	10.5
210.12473	1.6
211.13284	3.5
213.11377	1.8
217.14337	2.0
223.13283	2.3
227.12767	11.2
229.14342	66.7
230.14702	3.0
241.14415	2.9
242.15120	2.3
246.24350	1.6
255.15988	3.2
267.15924	11.0
283.15469	12.1
283.18723	1.8
284.16129	3.5
285.16843	1.6
287.18555	1.7
301.16455	41.9
302.16888	4.2
311.18723	1.3
315.18088	4.0
326.24582	3.7
329.15765	1.3
339.96600	1.3
371.24121	1.7
383.24078	2.4
421.25775	5.0
425.25146	2.4
437.25336	3.9
438.26147	4.1
443.26529	3.2
455.26398	40.3
456.26630	3.0
475.27078	1.2
477.27869	1.9
541.29962	11.7
542.30267	1.5
554.25073	1.2
559.30737	10.6
757.35828	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01867	4.1
55.05280	1.5
55.05514	18.3
55.05767	2.1
57.03435	9.8
57.23320	1.1
60.67225	1.0
65.03928	1.8
67.05176	1.4
67.05506	18.8
69.03426	4.3
69.07084	5.0
69.16911	2.1
69.17315	5.7
71.04972	3.5
79.05059	1.7
79.05493	24.0
79.05950	1.3
81.03420	50.3
81.07058	17.2
83.04978	4.3
83.08160	0.9
83.08625	15.7
85.06528	3.0
88.80225	1.1
91.05481	19.5
93.07045	17.1
95.04964	22.6
95.08606	8.6
97.02904	2.2
97.06524	2.8
97.09622	1.3
97.10184	15.8
105.07033	14.7
107.04956	14.1
107.08591	10.1
109.06514	7.8
109.10146	3.9
111.04446	1.6
111.08059	4.0
113.06061	1.2
115.05431	1.4
117.07002	5.2
119.04920	1.2
119.08584	11.6
121.06493	11.5
121.10140	7.4
123.04370	1.8
123.08083	4.6
125.09615	15.1
129.07005	8.1
131.04950	2.4
131.08569	11.3
133.06474	5.6
133.10120	4.2
135.08058	4.4
135.11638	2.6
137.09538	1.1
141.07010	1.4
142.07759	2.2
143.08574	3.4
145.06477	7.1
145.10095	5.5
147.04379	1.7
147.08043	5.1
147.11658	5.4
149.09625	4.5
149.13326	1.0
153.09123	2.3
155.08505	1.3
157.06497	1.4
157.10150	6.7
159.08081	2.2
159.11670	2.3
161.05815	0.9
161.09608	2.2
163.11133	3.7
167.10609	1.2
167.22514	0.9
169.10043	1.6
171.07996	1.2
171.10164	2.4
171.11662	1.0
173.09624	2.1
175.11192	7.1
183.08064	1.5
185.09596	1.3
185.13287	1.7
187.11269	2.2
189.09140	1.6
189.11208	5.8
189.12689	1.4
191.14345	1.6
193.12239	17.9
197.09511	1.1
197.13213	1.8
199.11237	2.6
199.13171	0.9
205.12148	2.7
211.13208	1.8
215.14275	2.4
218.53902	1.0
219.13823	2.7
225.12744	1.4
227.12613	2.3
231.13812	1.3
233.15332	4.0
237.12741	1.7
245.15521	1.2
249.14928	1.5
255.13852	1.8
259.13217	2.1
267.15900	40.5
268.16214	2.0
273.14728	7.5
287.16074	1.1
339.23062	3.0
349.21674	5.0
357.24445	1.4
367.22668	16.2
368.23074	2.0
385.19003	1.7
385.23706	24.6
403.24832	9.7
404.25284	1.6
405.24011	1.8
441.26501	8.5
459.27405	100.0
460.27768	8.6
477.28473	82.9
478.28757	7.5
491.30096	13.5
501.28168	1.4
509.30994	6.1
541.33783	1.3
567.29309	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.9
55.01865	17.4
55.05509	45.0
57.03442	24.0
57.07067	5.8
59.05006	4.2
61.02946	4.9
61.25986	3.3
64.87937	4.0
64.90197	3.3
65.03947	4.4
65.32499	2.9
67.05168	6.4
67.05505	65.8
69.07070	30.3
71.04987	7.8
79.05494	87.2
81.03419	33.3
81.07062	73.3
83.01331	8.8
83.05002	20.2
83.08622	31.6
85.02909	12.0
86.09698	11.2
91.05479	100.0
92.05818	3.9
93.07047	93.8
95.04964	18.2
95.08610	42.4
97.02884	8.2
97.06526	13.3
97.10163	15.4
103.05489	4.0
105.07030	94.1
107.04965	23.0
107.08598	60.7
109.06507	14.5
109.10149	12.9
111.04441	4.1
111.08027	5.1
117.07021	32.6
119.08580	74.6
121.06543	4.1
121.10129	24.6
123.08080	11.6
123.11707	3.9
125.00005	12.6
125.09657	9.6
128.06216	5.9
129.07031	16.8
131.08580	38.8
133.10129	64.8
135.11697	33.4
136.46883	3.6
139.07626	4.3
141.06976	3.6
143.08575	14.7
145.10121	54.4
147.07990	4.5
147.11687	44.9
149.09613	6.2
149.13284	9.2
153.12779	5.9
153.64023	4.1
155.08510	5.9
157.10146	13.9
159.11717	25.7
161.13235	25.9
163.11168	36.6
169.10126	6.9
171.11688	15.8
173.09595	6.8
173.13220	12.1
175.11169	7.5
175.14784	13.0
179.14215	3.4
181.12245	4.6
183.11690	6.6
184.07336	41.2
185.13240	16.2
189.11269	8.8
189.16313	4.0
191.10614	4.8
193.12302	6.3
197.13257	7.0
199.14845	4.2
209.11694	11.1
211.13281	6.4
227.12759	16.5
231.21172	4.0
241.19505	27.3
242.43202	3.8
257.19055	6.0
259.20569	72.4
267.15894	7.3
275.19983	21.1
283.15424	77.7
285.16885	8.8
297.21893	9.0
309.18167	3.7
315.23138	9.1
333.24246	47.7
334.24576	3.9
349.23557	11.1
429.00244	3.8
431.29196	4.2
449.30328	5.9
467.31348	9.0
523.34149	10.7
541.27350	6.4
541.35248	87.4
542.35333	12.1
559.36316	51.6
560.36243	7.6
756.44666	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.7
55.01876	16.9
55.05513	24.9
57.03440	14.8
61.93423	1.9
62.18055	2.1
65.03940	3.1
67.05502	43.3
69.03424	4.5
69.07067	31.1
71.04988	8.2
71.32150	1.9
72.72518	2.4
79.05064	3.4
79.05492	48.0
81.03416	48.7
81.07053	58.6
83.04987	15.8
83.08617	17.9
85.02905	24.2
85.06529	2.7
91.05473	76.7
93.07039	40.8
95.01330	10.6
95.04966	19.4
95.08610	32.2
97.02887	4.3
97.06528	27.9
97.10161	7.9
98.23424	5.0
99.08082	2.4
105.07028	91.0
106.00710	2.5
106.07370	2.8
107.04950	18.8
107.08588	21.8
109.06521	5.9
109.10145	10.0
111.04438	2.4
111.08083	8.9
113.05981	2.6
115.05470	3.2
117.07005	14.8
119.08578	51.3
121.06504	4.2
121.10133	13.9
123.08051	5.9
123.11696	3.0
125.09660	2.7
129.06998	14.5
131.08556	28.0
133.10127	45.3
135.08084	2.7
135.11667	6.5
137.09499	2.5
142.07764	4.3
143.08577	5.0
145.10106	15.9
147.11682	23.2
149.09660	11.0
151.11147	3.3
157.10057	17.1
159.11699	9.1
161.13271	5.9
163.11159	4.2
165.09155	2.4
165.12730	2.5
169.10130	4.8
171.11696	2.5
173.13286	4.1
175.11139	12.3
177.12773	4.9
179.14317	14.2
185.13103	2.4
187.11183	3.1
193.12231	25.7
197.13255	2.6
211.13286	30.4
257.19006	9.3
259.20602	3.2
267.15909	37.1
275.20050	79.9
276.20474	4.0
285.16946	75.5
286.17337	3.9
293.21384	3.9
301.16565	3.8
307.23245	2.3
308.49121	2.2
349.23761	39.4
501.72583	2.3
541.27484	3.9
541.35236	62.3
542.35596	9.2
559.36243	100.0
560.36530	14.6
716.67432	3.0
727.28638	3.0
756.43219	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.8
55.01871	14.6
55.05513	21.9
56.11581	1.8
57.03440	10.3
57.58358	2.1
61.02943	2.6
65.03941	3.6
67.05510	36.3
69.03438	3.1
69.07069	30.6
71.04989	4.1
79.05502	36.0
81.02975	3.7
81.03420	34.5
81.07062	54.0
82.90500	1.7
83.04993	10.6
83.08627	13.9
85.02892	12.1
85.06554	2.8
91.05482	60.8
93.07040	32.2
95.01344	7.5
95.04980	17.7
95.08616	30.9
95.09180	3.6
97.02920	3.1
97.06528	21.6
97.10164	3.4
105.07029	77.3
106.07373	4.3
107.04959	19.6
107.08597	19.6
109.06509	3.8
109.10174	7.5
111.04462	2.7
111.08086	8.3
115.05428	3.7
117.07029	11.5
118.99370	1.9
119.08580	43.7
119.09427	2.1
120.08989	2.4
121.06509	3.7
121.10124	10.0
123.04462	2.3
123.08073	5.7
125.09658	2.0
129.07004	7.1
131.08575	23.6
133.06523	2.6
133.09111	2.3
133.10132	43.9
133.11070	3.6
135.08063	3.1
135.11703	7.4
137.09641	3.4
143.08607	4.4
145.06535	2.1
145.10141	15.0
147.08051	2.3
147.11678	20.6
149.09642	8.4
157.10162	8.1
159.11685	6.8
161.13271	6.9
163.11191	3.4
165.12817	2.9
169.10098	1.9
171.11703	3.4
175.11209	4.7
177.12741	3.1
179.14316	14.5
180.26791	1.8
184.07375	3.3
193.12234	14.5
211.13298	20.5
219.17409	4.4
228.92303	3.5
257.19043	5.7
258.27982	3.0
267.15891	18.4
275.20062	88.7
276.20447	6.9
279.15982	3.2
285.17026	29.7
286.17090	2.2
293.21179	4.1
297.15067	1.9
349.23727	41.6
541.27374	4.0
541.35193	54.3
542.35425	8.1
559.36279	100.0
560.36346	11.2
577.37292	2.7
757.46759	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	3.0
53.03944	3.9
55.01877	5.0
55.05512	21.4
55.35751	0.8
57.03438	13.8
57.07064	1.8
59.04995	2.4
61.02927	4.0
64.02015	0.7
65.03934	2.1
67.05505	43.5
67.65296	0.9
69.03425	2.9
69.07073	10.3
71.01344	1.3
71.04976	2.4
73.02896	1.6
75.56076	0.7
79.05492	28.3
80.05800	1.3
81.03436	4.5
81.07056	46.1
82.07405	1.1
83.04975	3.3
83.08618	11.5
85.02914	3.9
85.06541	2.4
86.09704	3.4
91.03972	1.0
91.05482	31.0
92.05821	1.2
93.07043	39.9
95.04980	6.0
95.08606	29.0
96.78444	0.8
97.02888	6.0
97.06536	3.4
97.10168	2.6
98.23126	4.0
99.00815	18.4
99.04442	1.7
99.08092	1.5
103.05462	1.7
105.07029	25.1
107.01222	0.9
107.04967	5.0
107.08595	20.7
107.79453	0.7
109.02884	11.8
109.06502	3.9
109.10155	16.5
109.10889	0.9
111.04417	1.7
111.08084	4.1
115.03927	1.7
115.05479	1.1
117.07013	6.4
119.04929	1.3
119.08584	17.0
121.06502	8.3
121.10149	16.0
122.16203	0.7
123.04470	1.4
123.08060	2.6
123.11712	6.6
125.00001	1.8
125.09590	1.7
127.03918	1.9
128.06216	1.5
129.07016	1.6
131.08574	7.4
133.06471	2.1
133.10132	37.8
134.10471	1.5
135.08067	2.3
135.11707	9.2
137.05969	1.2
137.09612	1.9
139.07553	2.8
143.08588	5.2
145.06454	1.5
145.10127	4.9
147.11662	4.0
149.13257	5.3
151.11185	10.9
157.10129	1.3
159.11687	5.0
161.09616	19.3
161.13257	3.2
162.10001	1.3
163.11162	1.4
163.14798	4.1
164.36526	0.8
171.08020	3.0
173.13269	3.6
175.14880	1.0
177.16502	0.9
179.10667	8.4
181.12247	0.9
184.07347	13.4
185.13196	1.1
187.14845	2.6
189.09106	8.1
189.10780	1.2
197.11703	2.3
207.10132	2.6
225.11198	14.3
227.12666	1.0
243.12303	3.6
243.21111	5.9
261.22134	19.0
262.22552	1.5
276.87622	1.0
281.13925	4.0
299.14886	100.0
300.15286	5.8
315.23029	2.3
317.24722	2.9
335.25800	78.7
336.26215	6.4
432.03220	0.8
439.32095	0.9
449.30511	2.1
467.31708	4.0
485.32593	1.8
513.35596	3.4
515.37323	1.6
531.36847	2.6
541.35120	5.3
542.35480	1.3
559.27734	1.7
559.36304	30.8
560.36407	4.5
577.37433	1.5
585.37305	0.9
622.36975	1.0
656.03870	0.9
664.57416	0.9
756.45654	3.8
757.44794	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	4.3
53.03947	4.0
53.83755	0.8
54.02948	0.8
55.01874	5.1
55.05515	24.7
57.03156	1.3
57.03440	17.5
57.07071	2.4
57.26591	0.9
59.05014	2.0
61.02937	5.0
65.03937	2.7
67.05509	63.3
69.03419	3.8
69.07072	15.3
71.01363	2.1
71.04998	2.8
71.30458	1.6
72.40759	0.8
73.02924	2.0
79.05500	41.0
79.05968	1.9
81.03418	4.6
81.07060	69.1
82.07401	1.9
83.04995	4.0
83.08627	16.1
85.02911	5.4
85.06540	2.9
86.09702	4.2
91.03965	2.1
91.05485	40.0
92.05814	1.0
93.07052	53.0
94.07396	1.8
95.04974	8.0
95.08612	43.8
97.02889	7.5
97.06541	6.1
97.10177	4.0
99.00827	18.3
99.04490	1.5
103.05471	2.6
105.04554	1.4
105.07036	32.4
106.07325	1.1
107.04955	4.7
107.08601	31.9
109.02874	10.3
109.06545	3.3
109.10165	20.5
110.10502	0.9
111.04475	1.7
111.08086	4.0
115.03959	3.2
115.05430	1.3
117.07037	8.1
119.05025	1.1
119.08583	21.7
121.06513	8.3
121.10155	18.0
123.02249	1.0
123.04441	1.9
123.08118	2.4
123.11715	8.1
125.00010	2.6
125.09647	1.1
127.03951	2.8
128.06262	1.4
129.07019	2.4
131.08557	13.3
133.06509	1.1
133.10139	46.8
134.10478	1.9
135.08034	2.1
135.11707	14.2
137.06033	2.1
137.09677	1.8
137.13251	1.5
139.07524	2.3
143.08588	7.8
145.06506	1.4
145.10120	10.1
146.79355	0.9
147.08018	2.0
147.11697	6.0
149.09631	3.8
149.13257	7.3
151.11192	14.3
157.10100	1.4
159.11725	5.8
161.09624	18.0
161.13231	4.4
162.09856	0.9
163.11121	2.4
163.14851	2.8
163.55020	1.0
165.09164	1.4
171.08064	3.7
171.11705	1.0
173.09637	1.0
173.13313	5.2
175.11163	0.9
175.14854	1.8
177.16437	1.4
179.10695	10.0
184.07327	12.5
187.14804	3.3
189.09131	11.2
189.16452	1.4
197.11763	3.5
207.10164	4.4
212.50865	0.9
225.11208	15.6
243.12320	2.8
243.21097	8.6
245.72954	0.9
261.22144	24.9
277.21707	1.6
279.23135	1.1
281.13901	4.7
283.15533	1.3
299.14905	92.2
300.15158	5.0
315.23227	2.7
317.24725	2.7
333.24451	1.1
335.25809	100.0
336.26074	7.8
421.31070	1.1
449.30167	1.5
467.31653	4.4
485.32587	3.8
513.35736	2.7
515.37109	1.4
523.34338	2.1
531.36798	2.2
541.35382	10.5
542.35602	2.5
559.36310	50.4
560.36597	7.8
667.40503	1.3
677.81317	1.1
756.45483	5.8
757.45508	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.3
56.05026	0.8
57.07082	0.3
58.06350	0.2
58.06608	0.3
59.04993	0.2
60.08165	6.9
66.42714	0.1
67.05492	0.5
69.13220	0.5
69.13641	0.8
71.07368	4.0
74.91678	0.2
79.05490	0.2
81.07047	0.6
83.08630	0.1
86.09705	31.5
87.10036	0.7
87.59814	0.2
89.52729	0.2
91.05497	0.3
92.44357	0.2
93.07051	0.4
95.04998	0.2
95.08602	0.4
98.97844	0.3
98.98466	3.9
99.37304	0.2
104.10740	2.2
105.07013	0.3
107.08553	0.3
107.82932	0.2
109.10138	0.3
112.56089	0.1
115.59014	0.1
119.08576	0.3
121.10144	0.2
125.00002	22.0
125.62515	0.2
127.81324	0.1
133.10078	0.1
143.01022	0.3
145.10150	0.1
166.02641	0.2
184.07335	100.0
185.07690	1.6
313.27393	0.2
347.25644	0.2
378.27649	0.2
460.24939	0.2
496.33133	0.2
496.99084	0.2
614.81879	0.2
756.55774	1.2
757.44232	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5537
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	0.9
57.07075	0.4
58.06379	0.2
58.06628	0.5
60.08165	6.8
67.05505	0.6
67.35107	0.2
69.07072	0.2
70.18688	0.3
70.19022	0.3
71.07374	3.7
74.09708	0.3
76.56340	0.2
81.07053	0.6
86.09707	31.6
87.10038	0.4
91.05479	0.3
93.07040	0.3
95.08591	0.6
98.98470	3.8
103.85136	0.2
104.10744	2.2
105.07037	0.4
107.08607	0.2
108.47028	0.2
109.10149	0.3
117.07066	0.2
119.03534	0.2
119.08569	0.2
122.50087	0.2
125.00007	22.3
133.10152	0.3
135.11716	0.3
143.01022	0.3
184.07346	100.0
185.07704	1.8
284.83145	0.2
289.26505	0.2
315.66464	0.2
318.05408	0.2
337.27487	0.4
340.57053	0.2
347.25775	0.3
550.46417	0.2
575.29767	0.2
748.43616	0.2
756.55988	1.5
757.44019	0.4
757.56842	0.2
760.78363	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.1
55.05505	0.4
56.05037	0.7
57.07063	0.3
58.06364	0.2
58.06633	0.4
59.07408	0.1
60.08163	6.2
63.49201	0.1
67.05500	0.4
69.07062	0.5
70.06596	0.3
70.20531	0.2
70.20885	0.3
71.07372	4.6
71.08623	0.2
74.09715	0.7
79.05486	0.4
81.07069	0.5
83.08613	0.3
83.77222	0.1
86.09704	33.1
87.10033	0.4
91.05488	0.4
93.07051	0.3
95.08604	0.4
98.23145	0.2
98.98458	3.8
104.10741	2.3
105.07020	0.2
107.08599	0.3
109.10154	0.2
110.31720	0.1
117.07044	0.1
119.08575	0.2
125.00000	22.6
131.08580	0.2
132.01617	0.1
133.10118	0.2
135.11661	0.1
143.01080	0.2
143.08632	0.2
145.10107	0.2
147.11691	0.2
171.11861	0.1
184.07336	100.0
185.07713	1.7
192.37880	0.1
268.92899	0.1
275.20047	0.2
280.81363	0.1
295.13187	0.1
302.79144	0.2
302.83322	0.1
304.82773	0.1
313.27002	0.1
346.12610	0.1
355.15207	0.4
356.16110	0.2
387.18057	0.1
496.33560	0.3
584.43555	0.5
585.45215	0.7
756.42719	0.3
756.55493	1.3
757.42902	0.2
757.55219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2183
Annotation	Quercetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03941	0.3
55.01867	0.6
55.05499	0.9
57.03434	2.4
57.97750	0.3
61.02918	0.7
63.64400	0.3
68.99786	0.9
69.03435	1.6
70.19096	0.3
71.01373	0.3
71.04993	14.6
71.30412	0.5
73.02901	1.0
75.04483	0.8
79.26961	0.3
81.03432	0.5
83.04980	4.5
85.02905	19.7
87.04465	0.5
91.03948	0.6
95.04962	1.0
96.08665	0.3
97.02859	0.9
97.06527	0.4
98.50555	0.3
99.04468	0.8
101.83708	0.3
104.30704	0.3
105.10970	0.4
107.04929	0.3
109.02871	0.9
111.00802	0.7
111.04414	2.8
113.06021	0.5
115.03970	0.4
117.05487	0.9
121.02866	0.9
123.04439	1.1
127.03900	0.9
129.05479	6.0
135.04391	0.5
137.02356	2.8
137.05968	0.8
139.03928	0.7
145.04945	0.4
147.06526	2.5
151.03862	0.3
153.01833	3.0
153.05504	0.9
159.06543	0.4
163.03946	0.9
163.06044	0.7
165.01839	1.4
166.02638	0.3
170.53897	0.4
171.06511	0.6
173.06032	0.3
179.03317	0.5
183.02905	0.8
201.05525	0.9
211.03603	0.3
213.07909	0.5
229.04984	3.6
231.08977	0.4
239.09180	1.2
245.04446	0.4
247.06013	0.8
257.04431	2.2
274.04678	0.9
275.11206	0.5
285.03870	1.5
303.04984	100.0
304.05319	5.8
315.04932	1.0
330.69476	0.3
335.99228	0.3
341.06406	0.3
345.06064	1.6
366.13931	0.3
369.06055	1.1
401.68811	0.3
407.07297	0.4
413.08731	0.5
419.12238	0.6
431.09711	0.6
449.11078	1.5
465.10092	1.6
590.25641	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2179
Annotation	Quercetin 3-isorhamninoside
Peak:m/z	Relative Intensity
53.03938	0.4
54.47350	0.2
55.01872	0.4
55.05505	1.0
57.03439	2.4
59.60735	0.3
61.02918	0.8
67.05500	0.4
68.99799	0.5
69.03439	1.8
71.01363	0.3
71.04996	13.4
71.29028	0.3
73.02911	1.3
75.04467	0.7
81.03419	0.7
83.04980	4.5
85.02906	18.9
86.03235	0.3
87.04475	0.4
91.03982	0.3
93.03378	0.3
95.04969	1.0
97.02895	1.1
97.06511	0.3
99.04478	0.6
108.06865	0.3
109.02849	0.9
111.00804	0.6
111.04447	3.0
113.06033	0.4
116.73254	0.3
117.05486	0.6
117.93383	0.2
119.27644	0.2
121.02892	0.8
123.04429	0.6
127.03922	1.1
129.05473	5.1
135.04433	0.6
137.02341	2.6
137.05956	0.5
145.04947	0.4
147.04498	0.3
147.06509	1.8
151.07587	0.3
153.01823	2.8
153.05467	1.0
161.05988	0.3
163.03931	0.8
163.06007	0.6
165.01862	2.0
171.06506	0.5
173.06059	0.3
178.77832	0.3
183.02878	1.0
183.04424	0.3
187.03824	0.3
201.05560	1.2
201.07204	0.3
221.33772	0.2
225.69699	0.3
229.04970	3.8
239.09146	1.1
241.04913	0.3
247.06000	0.8
257.04446	2.5
257.10062	0.4
270.56711	0.3
274.04703	0.6
285.03967	1.3
287.05557	0.9
303.04984	100.0
304.05313	5.5
315.05026	0.8
315.55453	0.3
345.06030	1.6
369.05914	0.3
413.08591	0.3
449.10776	1.7
465.10373	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
54.47350	0.2
55.01872	0.4
55.05505	1.0
57.03439	2.4
59.60735	0.3
61.02918	0.8
67.05500	0.4
68.99799	0.5
69.03439	1.8
71.01363	0.3
71.04996	13.4
71.29028	0.3
73.02911	1.3
75.04467	0.7
81.03419	0.7
83.04980	4.5
85.02906	18.9
86.03235	0.3
87.04475	0.4
91.03982	0.3
93.03378	0.3
95.04969	1.0
97.02895	1.1
97.06511	0.3
99.04478	0.6
108.06865	0.3
109.02849	0.9
111.00804	0.6
111.04447	3.0
113.06033	0.4
116.73254	0.3
117.05486	0.6
117.93383	0.2
119.27644	0.2
121.02892	0.8
123.04429	0.6
127.03922	1.1
129.05473	5.1
135.04433	0.6
137.02341	2.6
137.05956	0.5
145.04947	0.4
147.04498	0.3
147.06509	1.8
151.07587	0.3
153.01823	2.8
153.05467	1.0
161.05988	0.3
163.03931	0.8
163.06007	0.6
165.01862	2.0
171.06506	0.5
173.06059	0.3
178.77832	0.3
183.02878	1.0
183.04424	0.3
187.03824	0.3
201.05560	1.2
201.07204	0.3
221.33772	0.2
225.69699	0.3
229.04970	3.8
239.09146	1.1
241.04913	0.3
247.06000	0.8
257.04446	2.5
257.10062	0.4
270.56711	0.3
274.04703	0.6
285.03967	1.3
287.05557	0.9
303.04984	100.0
304.05313	5.5
315.05026	0.8
315.55453	0.3
345.06030	1.6
369.05914	0.3
413.08591	0.3
449.10776	1.7
465.10373	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59174	1.1
64.15289	1.1
69.20557	5.8
69.20959	1.8
72.00594	1.1
93.60309	1.1
96.96461	1.1
103.04766	1.0
159.04324	1.6
166.04993	1.1
181.86147	1.1
239.76973	1.0
280.51343	1.1
352.13022	1.3
545.18158	2.0
559.20190	1.5
560.20184	2.3
757.28186	100.0
758.28546	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.01871	1.3
55.05507	3.5
57.03439	2.3
61.02924	4.6
67.05502	11.2
67.05836	0.9
69.03429	2.8
69.07071	4.6
69.11509	1.2
69.11906	4.6
71.04990	0.5
73.02918	2.4
79.05488	11.4
81.03417	2.9
81.07058	11.3
83.04975	2.6
83.08632	3.1
85.02916	4.3
85.06524	0.6
86.09700	2.7
91.03971	1.9
91.05473	9.4
93.07038	10.3
95.04980	3.4
95.08607	7.2
97.02895	3.5
97.06541	2.7
97.10187	1.1
98.23412	1.0
101.02383	1.1
103.03913	0.7
105.04520	0.6
105.07027	7.9
107.04976	2.2
107.08598	5.4
109.02921	0.8
109.06480	1.1
109.10146	2.7
111.04463	1.1
111.08099	0.7
112.03115	0.5
113.23347	0.5
115.05500	0.7
116.61873	0.5
117.07042	2.2
119.08587	5.4
121.06467	0.7
121.10136	3.2
123.04384	0.7
123.08090	0.7
123.11727	1.0
125.00016	2.0
125.09649	0.5
127.03935	1.5
129.07042	1.6
131.08536	2.7
133.10114	4.6
135.08066	0.6
135.11711	2.0
143.08542	1.3
145.04964	0.6
145.10114	3.6
147.08089	1.1
147.11670	2.9
149.09660	1.5
149.13242	0.9
157.10127	0.7
159.11726	1.5
161.13226	1.1
163.11238	2.0
171.11703	2.2
175.14731	0.6
175.82399	0.6
177.12874	0.8
178.32397	0.5
179.14383	0.5
184.07349	7.6
184.08894	0.6
185.13309	0.7
191.10687	0.9
199.14729	0.5
209.11781	1.9
243.08412	3.2
247.13226	0.9
261.22165	1.1
269.17493	0.6
283.15411	2.4
299.14999	0.8
301.16534	2.0
315.19217	2.8
335.25748	6.1
371.22223	0.9
465.20959	8.1
466.21213	1.5
533.27069	6.3
543.36798	2.1
560.36328	0.6
561.37823	2.1
600.19623	0.6
757.41278	100.0
758.41644	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.4
55.01866	5.5
55.05514	15.9
57.03429	3.9
57.07076	3.0
60.08158	1.7
65.03939	4.5
67.05507	38.2
69.03430	23.5
69.07066	14.1
70.96420	1.1
71.01355	1.8
71.04997	10.2
73.02908	3.1
76.56339	1.3
77.03944	1.2
79.05061	2.3
79.05495	29.4
81.03416	43.0
81.07057	59.3
83.04978	11.7
83.08616	6.6
85.02904	41.3
85.06548	3.7
86.09689	2.8
89.92719	1.2
91.05479	32.0
93.07045	50.0
95.04971	25.4
95.08608	100.0
96.05305	1.2
96.08935	2.8
97.02897	27.5
97.06525	12.1
97.10165	3.9
99.04456	57.5
99.08089	3.0
101.02399	1.6
103.03941	23.7
103.05452	2.9
105.07033	60.2
106.07314	2.3
107.04990	7.4
107.08594	58.7
108.08933	1.7
109.02882	34.7
109.06531	12.9
109.10159	36.1
111.04469	6.1
111.08065	9.6
113.05990	5.0
115.03934	4.2
115.05453	2.8
116.06224	1.8
117.07030	10.8
119.08582	66.3
120.08904	1.9
121.06519	13.7
121.10144	43.4
122.10477	2.3
123.04417	3.6
123.08078	20.2
123.11723	21.0
125.00014	2.6
125.05968	6.7
125.09629	6.0
127.03917	99.6
127.07546	1.6
128.04271	2.5
128.06221	4.5
129.07010	10.6
130.07718	1.6
131.08574	31.5
132.08867	1.2
133.06500	5.3
133.10129	51.4
134.10440	1.5
135.08072	11.3
135.11697	24.3
137.05981	2.9
137.09599	4.5
137.13264	4.1
139.07549	3.7
139.11203	2.4
141.05502	1.5
141.06992	4.9
141.09113	5.2
142.07791	6.8
143.08571	25.5
144.09311	3.2
145.04970	14.3
145.06464	4.0
145.10121	42.4
147.08054	13.3
147.11685	31.6
149.05972	5.1
149.09647	8.2
149.13240	8.9
151.07533	5.7
153.06944	2.5
153.09137	4.0
155.08542	12.5
156.09337	8.4
157.10144	26.4
158.10892	2.8
159.08075	9.2
159.11693	38.5
160.12050	1.3
161.09625	14.3
161.13251	35.1
162.13704	2.3
163.06012	2.4
163.07503	3.2
163.11174	5.0
163.14838	2.8
165.05534	1.8
165.06970	3.1
165.09099	7.4
165.12761	1.6
166.07820	1.8
167.07042	4.0
167.08603	4.7
167.10716	2.3
168.09337	3.7
169.08691	2.2
169.10124	16.9
170.10828	2.8
171.08034	5.2
171.11699	23.2
173.09615	12.6
173.13251	25.7
175.07503	3.6
175.11172	12.3
175.14812	14.0
175.47954	1.4
177.09114	7.4
177.12715	2.5
177.16418	4.0
178.07849	1.4
179.08517	3.6
179.10704	5.3
180.09312	2.4
181.08698	1.8
181.10127	9.7
181.11684	1.9
182.10863	2.9
183.08044	2.7
183.11700	20.8
184.07349	11.6
184.12425	2.2
185.08224	1.7
185.09621	9.3
185.13228	15.1
187.06026	4.9
187.11183	9.5
187.14819	14.2
189.09122	1.9
189.12741	5.1
189.16325	10.4
191.10693	4.5
191.18036	1.3
192.09331	2.7
193.10106	6.6
193.12184	3.7
195.08098	2.0
195.11707	12.7
195.13477	2.5
196.12416	2.8
197.09502	3.1
197.13248	15.2
199.06024	2.0
199.11203	8.1
199.14816	13.1
201.09219	1.6
201.12752	8.2
201.16418	9.1
203.10716	1.8
203.14351	6.6
203.17891	3.3
205.10245	2.3
205.12256	3.2
206.11020	2.3
207.11708	5.7
207.13731	1.9
208.12532	1.9
209.09737	2.9
209.13310	13.6
209.15268	2.0
210.13680	1.5
211.11238	7.6
211.14809	9.1
212.11859	1.3
213.09245	2.3
213.12769	8.9
213.16434	5.4
215.10724	2.8
215.14294	11.0
215.17987	3.3
217.12302	4.1
217.15828	9.3
219.11824	2.7
219.13828	4.8
219.17482	2.4
221.13245	9.0
221.15398	9.4
222.14032	2.1
223.11189	4.4
223.14830	8.3
225.12720	5.6
225.16434	4.9
227.10799	2.8
227.14293	5.7
227.17862	3.5
229.12271	3.8
229.15916	7.1
229.19537	1.8
231.13824	5.5
231.17397	2.5
233.13239	4.6
233.15395	17.0
235.14775	4.4
235.16899	18.9
236.17322	1.6
237.12721	4.5
237.16411	3.8
239.14313	5.4
241.12297	2.6
241.15813	2.6
241.19502	1.8
243.13783	4.5
243.17422	1.5
245.15410	5.7
247.14806	3.2
247.16949	11.7
249.16315	3.4
249.18524	2.8
250.17128	1.7
251.14343	3.4
251.17888	2.3
253.07063	1.8
253.15875	4.9
255.13863	2.5
257.12039	1.2
257.15417	5.6
259.16962	3.7
261.18481	2.0
263.14368	1.8
263.17896	2.5
265.15894	3.3
265.19489	1.4
267.17505	2.6
269.15347	2.4
271.08099	9.9
271.16956	2.1
273.18771	2.5
277.15921	2.9
279.13928	1.7
279.17557	2.4
281.15240	1.9
281.19113	1.8
283.16919	2.1
283.20407	1.6
285.18488	2.1
287.20081	3.2
293.18985	2.5
293.22510	1.6
295.16989	1.5
297.15167	1.6
297.18439	2.6
301.21658	3.1
305.15430	2.5
307.16934	3.0
308.84665	1.8
309.18634	1.8
309.21970	2.5
311.16583	1.8
311.20145	1.6
313.21786	2.6
323.16449	2.9
325.18042	3.7
327.23257	2.6
329.24689	3.2
335.23566	1.9
343.18967	1.5
351.23203	2.1
355.26434	2.1
359.23727	1.6
377.24738	2.4
393.27988	2.2
403.30048	1.5
411.28891	2.1
415.29611	2.0
423.32715	6.9
433.31082	12.0
434.31473	1.7
449.30682	2.5
451.32104	15.0
453.30603	2.6
461.30243	1.8
467.31454	2.8
469.33252	10.2
475.32150	1.9
479.31409	7.5
487.32718	2.2
491.31647	2.6
493.33044	3.9
495.31451	3.0
497.32364	3.2
499.31668	2.4
509.32425	2.6
513.33575	2.3
517.32990	1.9
523.32977	5.7
535.33667	2.2
541.33087	11.7
549.35376	2.8
559.34167	18.7
560.34558	2.9
577.35181	23.3
578.35284	2.5
595.36304	23.6
596.36536	4.1
613.37085	4.6
619.37018	1.6
637.36969	4.1
655.38324	5.7
685.36676	2.0
703.38074	4.6
721.39343	6.5
739.40363	13.3
740.40662	2.2
757.41412	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01876	0.7
55.05510	1.5
57.03435	1.5
57.07071	3.1
59.04998	0.8
59.37047	0.4
60.08164	1.4
61.02926	4.5
61.77423	0.3
66.46365	0.3
67.05499	3.1
69.03426	2.9
69.07069	1.4
69.21066	2.6
71.04998	1.0
71.07375	0.6
71.08630	2.2
73.02923	3.3
79.05499	2.0
81.03413	2.6
81.07052	3.9
83.04984	0.7
83.08609	1.8
85.02897	4.1
85.06551	0.6
85.10184	1.0
86.09702	5.2
87.04462	0.7
87.10043	0.4
91.03950	2.2
91.05469	2.1
93.07033	1.7
95.04984	0.8
95.08595	3.7
97.02894	3.5
97.06536	0.9
97.10182	0.7
98.98508	0.6
99.04482	0.8
101.02393	1.3
104.10700	0.4
105.03374	0.9
105.07022	1.6
107.04937	0.4
107.08612	1.3
109.02877	0.9
109.06556	0.4
109.10181	1.4
111.04444	0.5
111.08037	0.4
115.04028	0.5
117.07035	0.3
119.08603	1.4
121.10146	1.9
123.08042	0.4
123.11729	0.6
124.99992	3.4
127.03944	1.3
129.06981	0.5
130.27528	0.3
131.08569	1.2
133.10141	0.9
145.10132	0.7
147.11682	1.2
149.09631	1.1
157.10149	1.0
159.11702	0.8
163.11098	0.5
175.11215	0.9
184.07327	17.7
185.04263	0.4
185.07730	1.2
193.12238	0.9
194.54863	0.3
197.15395	0.4
201.16414	0.7
215.18118	0.3
225.14925	0.6
243.08339	2.4
267.15991	0.5
275.19925	0.4
283.15149	3.9
295.09692	0.5
313.27350	1.1
339.17804	0.8
346.51151	0.4
397.12787	3.7
428.82263	0.3
467.54959	0.3
479.22589	0.5
497.30832	6.5
498.30774	0.7
501.22989	9.6
502.23691	0.6
513.55621	0.4
519.16632	0.8
559.40369	0.4
585.45178	0.7
595.42041	0.4
659.51788	0.5
757.46918	100.0
758.47180	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01867	2.7
55.23721	1.6
65.03930	2.0
68.99798	3.6
71.30430	1.3
85.02913	3.5
89.03904	1.8
97.02885	1.7
107.04958	3.0
109.02882	2.2
111.04451	13.6
115.05506	1.7
119.04977	2.2
121.02867	2.0
123.04427	51.4
127.03049	2.9
127.03920	36.0
135.04414	41.7
137.02371	2.7
139.03899	100.0
140.04199	3.6
147.04369	7.8
149.02335	4.8
149.05939	2.5
151.03911	18.0
151.51039	1.6
157.06448	1.7
159.04402	2.7
161.05975	9.9
163.03899	57.5
164.04279	1.9
165.05443	5.0
167.03432	5.1
167.05563	1.9
173.05974	3.9
175.03928	3.4
177.05533	2.9
179.03389	3.6
181.04961	3.1
185.06050	4.1
187.03850	3.6
187.07617	1.7
189.05478	2.5
191.03406	8.7
191.05025	1.5
193.04997	1.9
197.05884	3.5
201.05502	3.9
202.40665	1.8
203.03416	4.7
205.05005	3.3
213.05452	4.4
215.07002	1.8
229.04883	10.2
230.05667	1.8
231.06523	4.8
233.04379	3.7
241.04904	4.6
243.06494	6.9
245.04434	4.8
247.06017	31.8
253.05093	2.0
255.06612	2.9
257.04529	7.5
259.06012	28.1
260.06351	2.0
261.07544	6.8
271.05881	13.2
273.07584	2.7
275.05490	7.8
283.05978	6.6
287.05481	18.4
288.05783	5.3
288.86700	1.6
289.07043	43.2
290.07529	3.3
291.08606	16.4
299.05539	2.4
301.06689	7.3
303.00137	1.6
303.08609	1.7
391.08136	2.5
393.09647	6.7
409.09183	39.1
410.09467	4.2
417.09299	2.2
421.08994	2.0
427.10269	26.4
487.86768	1.8
543.12488	6.5
579.14874	2.2
767.58557	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.2
55.01875	12.5
55.05510	40.6
57.03439	24.7
57.07077	4.2
60.08176	1.9
61.02925	8.3
65.03941	6.3
67.05505	98.8
68.05830	3.4
69.03429	8.1
69.07072	24.3
69.57975	9.3
71.05000	7.7
71.08651	2.5
73.02917	4.7
75.17882	2.2
76.56660	1.9
79.05494	75.6
81.03418	23.3
81.07055	91.6
82.03757	3.4
82.04194	2.3
82.07402	3.4
83.04986	16.4
83.08619	20.0
85.02899	12.5
85.06550	6.7
86.09692	13.0
91.03957	3.2
91.05479	57.8
92.05813	4.0
93.07045	74.0
93.07630	3.9
94.07365	2.9
95.04978	23.9
95.08605	58.4
96.08945	3.3
97.02904	5.1
97.06528	10.4
97.10171	13.7
98.07316	7.2
98.23069	6.0
99.08092	3.3
103.03928	3.5
105.07029	34.7
107.04980	7.5
107.08602	46.1
108.08897	2.3
109.02889	2.5
109.06530	8.1
109.10155	29.9
111.04459	5.8
111.08089	6.5
116.04698	14.0
117.07021	20.2
119.08579	31.6
121.06517	4.1
121.10144	33.5
122.10513	2.1
123.08083	7.7
123.11729	7.9
125.00009	5.3
125.06062	2.5
125.09603	12.9
127.03926	3.8
129.05476	25.5
129.06950	10.2
131.08572	26.3
133.10132	29.1
135.08101	5.3
135.11699	22.7
137.09631	4.9
137.13324	3.2
143.07047	4.4
143.08537	5.2
145.10117	20.8
147.08061	6.0
147.11682	17.8
148.11995	2.7
149.09637	7.1
149.13275	10.5
151.11226	4.6
155.08546	2.8
157.08633	8.1
157.10146	9.7
159.11726	9.6
161.13309	7.1
163.07411	2.0
163.11192	9.0
163.14818	3.3
169.10167	2.6
171.10216	3.5
171.11600	3.4
173.09610	2.2
173.11880	2.5
173.13316	7.9
175.11198	5.5
175.14856	3.3
181.12277	3.6
184.07344	36.9
185.07675	1.9
185.13280	2.9
187.14949	3.2
189.11252	5.5
191.10736	2.0
193.12280	7.7
197.13304	2.4
199.13277	4.2
209.11755	7.3
211.13283	5.3
221.62323	2.1
227.12743	12.7
229.14348	2.4
243.21205	5.6
259.20706	3.5
261.22119	14.9
267.15881	11.5
268.16287	5.6
277.21747	3.5
283.15381	20.2
285.17007	2.7
301.16422	57.4
302.16940	4.1
315.23230	4.3
317.24753	3.8
335.25824	100.0
336.26184	12.3
337.26685	3.2
433.31024	2.3
451.31897	4.2
461.33096	2.0
469.33057	2.9
487.33984	2.8
515.37097	2.1
521.28455	2.5
525.35645	5.9
527.36987	3.4
528.37683	3.2
529.38031	5.8
543.36761	21.5
544.37158	2.3
547.39728	2.2
549.72510	2.0
561.37842	74.0
562.38049	8.3
612.77246	1.8
658.30280	5.9
758.45331	6.5
759.38983	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.01869	15.3
55.02327	1.1
55.05268	2.4
55.05511	28.6
57.03437	26.3
57.07075	3.5
59.30126	1.1
61.02922	6.1
65.03938	4.5
67.05502	71.7
69.03436	5.6
69.07066	19.7
69.32063	9.6
71.04991	4.9
73.02912	6.3
79.05489	52.4
79.05952	1.5
80.05840	2.1
81.03419	14.5
81.07052	62.8
81.29938	1.4
82.04202	4.7
83.04961	11.2
83.08627	13.8
85.02888	7.9
85.06541	4.3
86.09692	2.2
91.05476	39.4
93.07038	48.8
95.04962	15.5
95.08604	36.6
96.08930	1.9
97.02887	5.5
97.06528	8.2
97.10152	14.9
98.07318	6.4
98.22560	1.6
99.08073	2.5
101.06036	2.5
105.07021	22.3
107.04955	5.1
107.08588	24.9
107.99480	1.6
109.06529	5.1
109.10146	17.8
111.08105	4.6
115.05441	2.2
116.04704	15.4
117.07033	9.8
119.08575	17.9
121.06534	3.1
121.10132	18.5
123.08092	5.3
123.11710	4.8
125.00031	1.7
125.09630	12.9
129.04597	1.3
129.05467	39.3
129.07022	6.1
130.05754	1.4
131.08586	17.4
133.10123	15.1
135.08060	3.3
135.11679	10.3
137.09688	3.0
142.07736	3.0
143.07005	7.1
143.08600	2.9
145.10121	11.3
147.11693	10.4
149.09581	2.2
149.13266	6.5
151.11169	1.7
157.08614	17.0
157.10110	8.6
159.11687	5.2
161.13263	4.6
163.11197	4.0
163.14827	2.9
165.12738	2.3
166.13181	1.4
171.10170	5.4
171.11584	2.1
173.13257	3.1
175.11235	3.5
184.07370	4.1
185.11708	1.6
187.14919	1.9
189.11230	5.7
193.12230	9.2
199.13295	6.2
199.14880	2.3
200.14076	2.3
209.11668	1.6
210.12523	1.9
211.13290	4.2
227.12769	11.6
243.21159	3.8
257.18747	1.4
259.20502	2.0
261.22076	11.3
262.22314	2.1
267.15970	5.1
277.21570	3.1
301.16425	100.0
302.16852	5.5
317.24600	1.6
335.25784	68.5
336.26138	6.0
367.81393	1.5
415.70746	1.7
527.37250	4.2
543.37079	1.9
561.37885	41.5
562.37994	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.8
55.01854	8.5
55.05510	38.1
57.03434	25.0
60.31787	4.3
60.53502	4.6
61.02921	5.8
63.33126	4.8
65.03934	5.4
67.05508	74.3
69.03423	8.5
69.07060	26.5
71.04994	8.7
79.05492	76.5
81.03422	58.5
81.07053	79.4
83.04981	18.7
83.08612	29.8
85.02902	21.6
85.06518	4.5
86.09720	12.6
91.05473	92.0
91.06000	5.7
93.07037	82.8
95.04980	41.0
95.08600	47.5
97.02893	5.8
97.06520	11.3
97.10171	8.8
98.23377	11.0
99.08049	4.9
105.07030	100.0
106.34148	4.2
107.04953	13.2
107.08588	44.9
109.06511	9.9
109.10177	19.6
111.08079	12.5
115.05550	7.3
117.07030	18.4
119.08566	71.1
119.34421	4.6
121.10121	28.9
123.08053	4.6
123.11703	6.4
125.00021	9.5
125.09644	6.1
129.07001	24.9
131.08575	40.1
133.10133	54.9
135.08046	6.3
135.11678	23.9
142.07800	6.3
143.08583	19.5
145.10097	31.5
147.11682	66.0
149.09619	9.7
149.13268	9.6
157.10181	25.0
159.11713	23.5
161.13231	22.8
163.11172	6.2
171.11679	16.8
173.13266	7.5
175.11214	13.4
175.14914	11.9
183.11661	6.0
184.07349	46.6
185.13310	10.3
187.14786	8.2
193.12294	35.2
199.14903	5.1
211.13222	44.7
227.12828	6.4
231.21095	9.6
241.19507	29.6
258.61572	4.8
259.20584	71.5
267.15866	26.7
285.16913	58.3
315.23215	13.5
333.24231	70.7
334.24463	6.4
418.62567	4.9
433.30981	8.2
451.31982	7.7
469.33026	8.2
515.37744	5.6
525.35699	36.4
543.36761	83.3
544.37048	6.1
727.28705	5.3
758.46442	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81609	6.1
55.01854	7.5
55.05507	40.1
57.03423	18.4
59.89418	5.7
67.05508	82.3
67.26141	5.7
69.03425	11.0
69.07067	22.9
69.72942	13.1
69.73329	15.3
71.04980	8.3
75.55591	5.8
79.05490	92.3
81.03426	81.8
81.07062	79.5
83.04982	18.8
83.08615	34.6
85.02897	33.0
86.09700	19.1
91.05480	100.0
93.07048	82.3
95.04965	43.2
95.08600	44.6
97.02938	10.0
97.10172	7.9
105.07030	94.3
107.04907	11.8
107.08584	52.6
109.06504	9.9
109.10141	16.8
111.04469	6.4
111.08075	15.6
117.07032	30.4
119.08590	70.3
121.10160	32.5
124.99995	14.0
129.06996	22.8
131.08585	50.2
133.10124	54.9
135.11699	22.8
138.90877	6.9
142.07813	9.0
143.08531	14.8
145.06468	7.8
145.10132	29.0
147.11694	60.0
149.09563	14.5
149.13242	12.2
157.10130	37.4
159.11674	25.2
161.13263	26.5
165.12801	8.0
171.10378	7.3
171.11716	16.7
173.13264	21.1
175.11212	25.5
175.14827	10.3
184.07367	60.8
185.13193	8.6
193.12234	59.7
195.11652	8.0
211.13275	68.5
231.21147	6.4
241.19522	26.6
259.20544	85.5
267.15894	26.3
285.17029	71.0
286.17599	7.4
333.24271	64.6
413.46936	6.9
433.31210	9.8
451.31992	9.5
515.37183	7.0
525.35822	37.5
543.36609	79.0
544.37360	11.5
561.36975	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.1
55.01864	5.4
55.05511	31.3
56.62094	3.2
57.03436	18.5
58.65847	3.3
61.02909	3.4
65.03918	3.9
67.05506	60.6
68.51434	2.8
69.03448	4.0
69.07063	12.8
70.50837	2.4
71.04988	8.6
79.05492	62.3
81.03413	45.7
81.07056	67.2
83.04974	7.4
83.08627	21.3
85.02897	24.8
85.06512	3.9
85.42394	2.8
86.09727	5.8
91.05479	100.0
93.07045	62.8
95.04953	23.7
95.08601	29.4
97.02876	4.5
97.06539	6.3
97.10179	9.0
99.08088	3.8
105.07030	88.0
107.04972	6.4
107.08599	34.1
109.06493	8.1
109.10150	17.3
111.08083	11.2
117.07020	17.4
119.08574	64.3
121.10135	24.5
123.08053	7.3
129.07016	19.9
131.08554	37.3
133.10126	48.8
134.10562	3.1
135.11656	16.2
142.07726	4.4
143.08566	13.2
145.10114	22.9
147.11681	52.3
147.12755	4.3
149.09589	8.8
149.13243	7.0
155.08551	5.3
157.10121	19.2
159.11707	22.3
161.09659	3.9
161.13258	25.0
163.11169	5.0
169.10074	6.7
171.11662	10.1
173.13177	7.3
175.11243	13.1
175.14772	9.9
183.11716	5.0
184.07321	21.5
185.13251	11.9
187.14877	6.0
193.12251	34.1
199.14801	6.2
208.08723	2.7
209.13097	3.1
211.13260	41.2
211.15125	3.2
213.16345	4.1
221.52823	3.0
231.21156	6.9
241.19518	27.8
259.20563	76.7
260.20886	3.9
267.15961	21.2
283.15552	3.3
283.20728	4.3
285.16986	49.4
315.23230	8.1
333.24231	63.6
334.24518	4.7
338.46387	2.9
415.30029	3.7
433.31085	9.0
451.31958	7.9
469.33307	5.6
515.36975	5.2
525.35864	26.5
543.36853	71.2
544.36853	9.6
561.37610	3.6
758.46857	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01875	1.6
55.05510	16.8
57.03445	6.5
57.07067	1.9
59.05019	1.2
61.02930	2.9
61.92646	0.8
65.03947	2.5
67.05505	70.6
68.05843	1.6
69.03432	1.8
69.07066	14.8
69.20338	3.1
69.20763	3.3
71.04993	23.3
73.06562	1.1
74.40395	0.8
79.05495	41.7
81.07057	100.0
82.07398	1.4
83.04984	5.1
83.08627	8.8
85.02901	2.9
85.06535	7.0
86.09721	3.9
91.05481	31.3
93.07044	41.6
95.04961	3.0
95.08611	28.0
96.08903	0.9
97.02138	0.8
97.02866	1.1
97.06526	4.9
97.10172	2.5
98.23125	3.0
99.08096	1.0
105.04530	0.9
105.07034	18.3
107.08592	22.0
107.09291	1.6
109.06540	1.5
109.10152	12.7
109.10825	1.3
111.08085	1.8
111.72584	0.8
117.07018	5.6
119.08578	8.7
119.62033	0.7
121.10151	16.6
123.08068	2.0
123.11703	14.7
125.00022	3.3
131.08557	8.0
133.09210	1.6
133.10138	20.2
135.11679	8.7
143.08652	1.1
145.10097	5.4
147.11716	4.8
149.13249	7.2
151.11168	6.4
159.11714	7.9
161.13263	3.4
163.14946	0.9
169.12221	2.1
171.11693	1.0
173.13271	2.9
175.14835	1.4
177.12794	2.4
182.72876	0.9
183.13837	2.2
184.07352	13.4
186.03444	1.2
187.13315	3.9
187.14781	0.9
195.13890	1.7
201.14804	1.5
226.19055	1.0
227.16400	2.0
257.17374	1.7
259.20697	1.2
261.22089	2.2
269.17520	5.2
301.20084	18.4
302.20413	0.9
313.16998	1.0
317.24750	1.1
335.25800	21.9
336.25916	1.4
393.31567	1.2
411.32721	1.4
428.55530	1.0
437.34091	1.2
485.36230	2.8
503.37317	80.9
504.37674	9.8
517.38782	3.8
529.38837	13.5
530.39227	2.6
561.41528	62.7
562.42029	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	2.8
58.06583	0.4
61.58217	0.2
62.06080	0.4
66.68404	0.3
67.54900	0.2
70.06593	5.3
71.07388	0.3
71.08636	0.9
71.31570	0.4
85.10182	0.8
86.09676	0.6
88.07632	9.2
102.09184	3.0
106.07999	0.4
106.08667	5.4
137.05946	0.3
143.71393	0.3
149.96065	0.3
177.39319	0.3
184.07349	0.9
184.20613	0.9
202.21689	0.7
228.23215	4.0
245.23672	0.3
246.24281	100.0
247.24593	6.1
299.06097	0.4
468.48425	0.3
523.33905	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5683
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.6
57.07063	0.2
58.06636	0.4
59.07385	0.2
60.08161	5.9
67.05504	0.2
68.23978	0.1
69.07062	0.1
70.06571	0.2
71.07369	3.3
81.07045	0.2
86.09700	27.4
87.10039	0.5
95.08601	0.3
98.98460	3.5
104.10730	1.8
109.10186	0.2
124.99997	19.1
126.00365	0.2
143.01001	0.3
167.05637	0.2
184.07330	100.0
185.07687	2.0
207.80859	0.1
262.25229	0.2
299.06143	0.2
370.11060	0.1
378.42227	0.2
391.62344	0.1
621.67035	0.1
758.56787	1.8
759.56677	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5688
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.6
57.07057	0.2
58.06358	0.2
58.06624	0.4
60.08164	6.4
64.59106	0.2
67.05505	0.3
69.98311	0.1
70.50497	0.4
71.07375	3.4
72.26706	0.1
81.07058	0.4
86.09704	28.5
87.10051	0.6
91.05806	0.4
93.07037	0.2
95.08623	0.3
98.98466	3.9
98.99100	0.2
104.10751	2.1
107.08622	0.2
109.10183	0.2
124.29400	0.2
125.00002	19.8
176.92427	0.2
184.07339	100.0
185.07706	1.7
262.25256	0.3
299.06091	0.4
391.31516	0.2
399.86920	0.2
428.28549	0.2
523.32977	0.2
723.36743	0.2
758.57343	1.8
759.56732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
55.05517	2.6
57.03444	4.6
57.07071	1.4
58.09457	1.0
61.02925	7.6
66.27396	1.0
67.05508	6.4
68.37317	0.9
69.03421	3.5
69.06187	3.5
69.06614	3.9
69.07095	1.2
71.05003	2.5
73.02918	5.7
79.05492	3.4
81.03413	5.7
81.07062	3.7
83.01130	1.1
83.04994	1.1
83.08627	2.4
85.02898	10.8
90.09207	1.1
91.03956	5.6
91.05505	4.0
93.07045	2.4
95.01108	1.7
95.04993	2.8
95.05553	0.8
95.08615	1.5
97.02895	5.5
97.10166	2.3
99.04441	1.5
101.02399	2.7
103.03937	1.3
105.03416	3.2
105.07035	2.0
107.08600	1.2
109.02880	1.3
109.10197	1.8
111.08117	1.2
117.05499	1.6
119.08590	2.5
121.10175	2.8
121.12016	0.9
123.04275	1.9
127.03958	3.1
129.05489	3.6
129.06972	1.1
131.08580	1.6
133.06538	1.2
133.10158	1.6
137.05933	1.0
145.04955	1.8
147.08072	0.9
149.09727	1.1
156.03938	1.0
157.08804	1.0
157.10161	2.2
181.04807	4.0
181.12225	0.9
184.03467	1.0
184.07448	3.2
185.04221	6.8
193.12276	2.1
195.06386	1.1
199.05891	1.3
199.13443	1.5
201.03790	3.9
205.08517	1.0
221.11736	1.2
241.06799	1.4
243.08377	7.3
251.12538	5.3
265.14206	1.7
274.68573	0.8
277.14246	3.6
283.15457	1.2
291.15698	1.9
301.08917	26.1
302.09189	1.0
313.08707	1.2
315.04742	1.0
315.10428	5.1
320.30832	1.0
327.10641	2.1
329.12155	1.3
341.12073	1.4
343.13925	1.7
349.16299	3.0
355.13351	1.2
357.15240	1.2
367.17389	3.2
369.15228	1.1
371.16934	1.9
373.10959	8.4
383.16693	5.1
385.18295	18.1
387.12881	2.6
392.09424	1.3
395.16846	4.0
401.13882	1.2
413.18201	1.3
428.61862	0.9
429.17624	3.0
433.25430	4.7
439.19534	2.2
443.18936	8.9
451.19400	1.1
457.20679	3.4
469.20471	25.3
470.21185	1.5
479.25696	2.0
483.22104	3.6
485.19720	6.1
499.21149	7.3
500.22092	1.5
501.22879	1.4
511.21777	1.9
515.24506	2.2
527.21216	3.0
527.28619	3.6
528.21759	11.3
529.22589	1.8
541.22443	12.4
542.23401	3.3
555.24426	3.4
567.31738	1.4
569.26801	3.8
583.31281	4.7
587.26770	1.7
595.30457	1.3
611.30640	7.8
612.30975	11.0
615.29535	1.0
629.31354	1.5
641.31555	3.3
655.26801	4.3
711.35376	6.7
727.35040	2.8
741.36548	5.9
757.13916	1.1
759.37634	100.0
760.38080	17.1
772.49414	1.0
776.59155	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
55.05502	2.2
57.03439	1.0
57.07063	1.1
58.93451	0.8
60.05644	1.3
60.08152	2.3
61.02908	1.3
61.40437	0.8
67.05510	4.3
68.05827	0.8
69.07040	1.2
71.07362	0.9
79.05483	1.9
81.07061	4.1
81.57669	0.8
83.08620	1.2
84.90264	0.8
85.02850	1.1
86.09215	1.0
86.09704	11.1
87.10001	0.9
91.05463	1.9
93.07036	2.6
95.08631	2.1
98.22537	1.5
98.23229	5.9
105.07060	1.8
107.08569	2.0
108.08920	0.8
109.10195	1.6
117.06931	0.8
119.08605	1.6
121.10155	1.6
125.00005	8.1
129.06995	0.9
133.08617	0.8
133.10168	1.3
145.10097	1.0
147.11699	1.0
160.52953	0.9
161.13167	0.9
184.07344	30.8
185.07697	2.5
193.30443	0.8
229.56418	1.0
356.14679	0.9
380.83185	0.8
459.25397	1.0
481.24194	0.9
504.37817	1.5
539.29785	1.5
562.42078	1.2
587.45813	1.4
755.87823	1.0
759.40344	100.0
760.40735	17.0
782.25763	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.5
55.01870	0.7
55.05515	2.5
57.03447	3.0
57.07066	0.5
59.69259	0.3
60.08176	1.3
61.02927	4.3
65.03938	0.4
67.05505	7.3
68.05849	0.4
69.03435	2.5
69.04757	0.7
69.05158	2.0
69.07072	2.1
71.05005	0.8
71.07374	0.8
72.31615	0.3
72.73697	0.3
73.02913	3.7
79.05494	7.5
80.05827	0.4
81.03419	5.2
81.07056	8.4
81.07518	0.5
82.07388	0.4
83.04990	1.2
83.08626	2.0
85.02908	4.4
85.06575	0.4
86.09708	6.8
87.04467	0.4
91.03960	3.0
91.05484	7.4
93.07047	8.6
93.07622	0.5
94.07377	0.5
95.04986	2.9
95.08606	5.3
97.02904	3.5
97.06561	0.8
97.10185	0.7
98.22533	0.5
98.98483	1.0
99.04494	0.9
101.02412	1.1
104.10764	0.5
105.07036	6.2
105.07674	0.5
107.04987	1.0
107.08604	4.2
108.08983	0.3
108.50332	0.3
109.02911	0.6
109.06569	0.7
109.10146	2.2
111.08109	0.6
117.07040	1.7
119.08591	4.2
120.08909	0.3
121.06532	0.5
121.10128	2.5
123.08115	0.6
123.11740	0.4
125.00001	4.2
125.09602	0.3
125.34592	0.3
127.03929	1.4
129.05510	0.5
129.07019	1.7
129.15433	0.3
131.08549	2.2
133.06410	0.3
133.10130	3.2
135.11732	1.3
137.09691	0.4
143.08603	1.1
145.04973	0.5
145.10143	1.6
147.11693	3.1
149.09633	0.6
149.13264	1.0
157.10152	0.8
159.11716	0.7
160.12053	0.3
161.09656	0.5
161.13319	1.3
163.11249	0.6
163.14883	0.3
165.12827	0.3
171.11739	1.2
173.13377	0.4
175.11105	0.4
184.07347	19.3
185.04263	0.7
193.12294	0.9
203.05330	0.6
207.13855	0.4
227.12828	0.4
243.08464	2.9
247.13098	1.9
259.20804	0.5
261.22220	0.9
267.15863	3.3
269.17703	0.3
273.14835	0.3
281.17328	0.4
301.09024	1.0
303.15665	0.7
315.10492	0.7
335.25772	3.8
336.26535	0.4
355.13831	0.4
357.15192	0.4
373.10825	0.4
397.18521	0.4
435.32529	0.4
461.30237	0.4
465.21014	8.5
466.21375	0.6
471.34772	0.4
495.21976	0.9
527.37463	2.1
531.77271	0.3
535.28796	6.5
536.29071	0.5
537.23138	1.6
545.38110	1.7
562.38928	0.5
710.43616	1.2
759.42841	100.0
760.43164	17.0
781.63708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.8
55.01879	1.3
55.05512	4.2
57.03428	3.6
57.07067	1.1
59.05003	2.6
61.02927	2.2
65.03950	1.5
66.21095	0.8
67.05505	9.1
69.03430	14.3
69.07077	3.6
70.76379	2.1
71.04990	5.9
73.02923	2.6
79.05493	6.2
81.03416	20.5
81.03859	1.6
81.07056	12.4
83.04976	2.0
83.08604	1.3
85.02904	75.2
91.05476	10.4
93.07048	12.6
95.04954	2.5
95.08601	26.0
97.02892	26.7
97.06567	2.1
97.10185	1.2
98.03223	1.5
99.04454	50.0
103.03941	86.3
104.04259	1.6
105.07027	22.1
107.08606	13.6
109.02885	22.6
109.06564	1.5
109.10154	11.9
111.04442	1.2
111.08103	4.0
111.92014	1.1
113.06007	1.2
113.09657	1.9
115.03929	1.4
117.07027	4.2
119.08573	19.7
121.06551	1.6
121.10143	11.3
123.08054	3.3
123.11743	4.2
127.03914	100.0
128.04320	1.4
129.07039	1.3
131.08554	8.8
133.02824	1.0
133.10123	13.8
134.10507	1.3
135.08081	2.6
135.11688	9.0
142.07845	1.0
143.08578	6.2
144.09348	1.6
145.04956	60.4
145.10107	15.4
146.05333	1.7
147.08031	1.3
147.11679	10.6
149.09621	1.6
149.13322	3.1
155.08618	1.7
156.09410	1.1
157.10127	7.3
159.08086	1.2
159.11703	16.7
160.12141	1.2
161.09637	3.5
161.13246	36.7
162.13655	1.4
163.06020	30.1
163.07346	2.1
163.11229	1.7
163.14825	1.6
169.04956	2.3
169.10121	2.7
171.11627	4.7
173.09564	1.3
173.13254	9.3
175.11198	2.9
175.14816	7.5
177.12756	3.0
177.16388	2.5
183.11694	2.6
184.07388	2.3
185.09718	1.1
185.13281	3.7
187.06053	8.0
187.11252	1.1
187.14810	4.3
189.12769	1.3
189.16426	5.0
191.14323	2.6
191.17986	1.1
197.13280	2.5
199.14819	6.8
201.12769	2.2
201.16371	13.5
203.14386	1.8
203.18008	1.9
205.07089	5.0
205.15814	1.6
211.14835	2.0
213.12875	1.3
213.16383	5.3
215.14326	2.9
215.17892	2.2
217.15807	5.4
219.17453	15.7
220.17801	1.7
221.15359	2.2
227.17914	1.3
229.15903	1.4
231.17453	1.9
233.15370	3.0
235.16957	4.0
239.17989	1.5
247.17018	1.8
253.07047	1.8
271.08124	5.4
289.09076	4.6
307.10287	3.9
309.22217	1.0
311.23666	2.1
325.25394	2.0
337.25345	1.8
339.26599	1.1
379.29660	1.2
380.30270	1.1
407.33212	5.7
417.31390	4.2
435.32565	19.9
436.32886	3.8
453.33664	19.6
454.33838	2.1
525.34460	1.0
543.34595	2.5
561.35809	1.6
705.39484	1.3
741.41370	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
57.03436	0.6
62.13291	0.6
66.72419	0.8
67.05500	1.8
69.03429	24.6
70.20953	2.4
79.05504	1.8
79.55072	0.6
80.43117	0.8
81.03400	1.1
81.07047	1.8
83.04990	1.3
85.02892	1.7
87.04477	1.0
87.71357	0.5
91.05495	2.6
93.07060	2.1
95.04945	3.0
95.08615	1.8
97.02901	2.1
97.06553	0.9
99.04485	1.4
105.07034	3.7
107.04946	1.1
107.08593	2.5
109.06523	4.3
111.08094	2.0
115.03970	1.1
115.05472	1.4
117.07059	3.5
119.08594	2.0
121.06532	4.3
123.04465	0.9
123.08042	4.9
127.03930	1.7
128.06247	1.8
129.07042	3.1
131.04965	0.6
131.08575	3.7
133.06519	2.3
133.10146	1.4
135.08073	6.3
137.06013	1.6
139.03922	0.7
139.07541	18.3
141.07025	2.1
142.07796	2.2
143.08549	5.5
145.06503	1.8
145.10146	1.8
147.08113	3.6
147.11710	0.8
149.05998	1.4
149.09619	7.7
151.07542	2.6
153.05482	2.6
154.07823	0.7
155.08562	2.4
155.10649	0.9
157.06491	1.1
157.08640	2.8
157.10144	3.3
158.07347	1.0
159.08028	3.9
159.11723	1.5
160.08653	0.8
161.05963	1.0
161.09610	3.0
163.07602	1.3
163.11230	1.7
165.07002	0.9
165.09142	1.3
167.07086	1.0
167.08565	1.9
169.08719	1.4
169.10161	2.8
171.08061	2.1
171.11740	1.8
173.05994	0.6
173.09627	4.5
173.13350	0.7
175.07535	1.0
175.11256	1.3
177.09129	2.0
179.07104	1.6
179.08583	1.4
181.08607	2.4
181.10153	3.1
183.08073	1.3
183.11720	1.7
185.08118	1.0
185.09587	3.8
185.13232	0.6
186.10378	0.8
187.07555	1.9
187.11209	5.0
188.11890	1.0
189.09175	2.2
189.12778	1.2
193.08626	1.5
193.10162	1.6
195.06474	0.8
195.08389	0.8
195.10173	11.8
195.11731	1.3
197.09676	2.2
197.13217	1.1
198.10382	0.7
199.07666	0.7
199.11208	3.2
201.09114	2.1
201.12750	2.0
203.10722	2.7
205.08502	0.8
207.10149	2.4
207.11818	1.0
209.09610	1.9
209.11494	0.9
211.11232	2.4
213.07452	1.1
213.09218	1.7
213.12730	1.9
214.10028	0.7
215.10625	1.4
217.08560	1.0
217.12236	1.4
219.11853	1.1
221.09709	1.4
221.11746	4.6
221.13570	0.8
223.11281	1.5
223.14719	1.0
225.09157	1.8
225.12645	1.3
227.10728	2.4
227.14381	0.9
229.12183	0.7
233.13477	0.9
235.11215	2.1
235.14874	1.0
236.11882	0.7
237.12827	2.1
239.14421	0.9
241.12108	0.8
243.10150	1.0
245.11557	3.0
247.11168	0.8
249.12956	0.9
251.10841	0.9
251.14293	1.0
253.12245	1.4
254.12823	0.7
255.10065	0.7
255.13936	0.7
261.12817	0.9
263.14392	1.0
265.12463	1.1
267.13867	2.4
269.15118	0.7
271.13202	1.4
279.13950	1.1
283.13251	1.0
289.10709	0.9
295.13376	1.1
309.14722	0.7
311.12802	0.8
317.15137	0.8
323.12592	0.7
327.16376	0.6
347.16296	1.0
349.14169	0.8
349.18137	0.9
361.17899	0.9
363.19839	1.3
376.20633	0.8
377.17343	1.0
379.18896	0.9
381.20602	0.8
389.17551	0.7
391.19144	1.6
405.20746	0.9
409.20245	1.0
411.17996	0.8
413.19427	1.2
423.21863	1.2
433.20181	1.2
434.20700	0.9
435.22189	1.1
451.21106	1.7
453.18384	1.3
453.23462	1.5
459.20047	1.5
463.21112	1.9
465.22647	2.0
467.20688	2.1
471.19986	1.3
479.20529	0.8
481.22107	2.3
483.23798	2.9
485.21753	0.9
487.23279	1.4
489.20651	2.9
491.20767	1.5
497.21704	0.9
499.23376	5.2
500.22980	0.8
509.21796	5.5
517.24329	2.7
527.22705	26.6
528.23077	2.7
535.25684	1.0
545.23810	100.0
546.24078	12.9
563.24890	31.1
563.31671	0.6
564.25208	3.5
565.04004	0.8
633.28937	1.6
671.26752	2.4
689.27753	2.9
690.28497	0.8
707.28931	2.3
725.29962	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01872	0.5
57.03442	0.5
61.02948	0.3
62.30285	0.3
67.05505	0.7
69.03429	13.0
69.07063	0.5
79.05493	1.5
81.03395	0.5
81.07050	1.2
83.04984	1.3
85.02892	1.4
87.04475	1.0
91.05469	2.1
93.07037	1.7
95.04970	2.8
95.08597	2.4
97.02887	0.7
97.06551	0.5
98.23479	0.5
99.04455	0.4
104.51020	0.4
105.07008	2.0
107.08608	1.7
109.06497	2.8
111.04495	0.5
111.08080	1.0
115.03971	0.8
115.05468	0.9
117.07037	1.7
119.08583	2.0
121.06508	3.8
121.10129	0.7
123.04420	0.6
123.08056	3.1
125.06015	1.0
127.03965	0.4
128.06239	1.4
129.07024	2.4
131.04941	0.6
131.08574	2.7
133.06506	2.2
133.10167	1.2
135.08044	5.1
137.05983	1.6
139.03932	0.4
139.07541	11.1
139.08594	0.7
140.07974	0.4
141.06999	1.7
141.09117	0.5
142.07822	0.9
143.08597	3.2
145.06487	1.7
145.10109	1.8
147.08037	3.1
149.06018	1.3
149.09625	7.1
151.07521	3.5
153.05487	2.3
153.07016	0.6
154.07745	0.7
155.08565	1.8
157.06532	1.1
157.08948	0.4
157.10152	2.2
159.08037	3.2
159.11737	1.4
160.08823	0.5
161.05988	0.6
161.09608	2.1
163.07526	0.9
163.11211	1.7
165.07091	1.0
165.09111	1.8
166.07771	0.7
167.07085	0.5
167.08533	0.9
168.09312	0.7
169.06557	0.6
169.08752	0.7
169.10027	2.1
171.08098	1.6
171.11685	1.6
172.08804	0.7
173.09648	2.6
174.10420	0.9
175.07570	0.9
175.11220	1.7
177.09160	0.9
179.07187	0.7
179.08603	1.2
179.10744	0.4
181.08592	1.5
181.10146	2.1
183.08044	0.9
183.11732	1.0
184.08752	0.4
185.09619	2.5
185.13289	0.8
187.07559	1.1
187.11133	2.8
188.12039	0.6
189.09142	1.7
189.12726	0.6
193.08640	1.3
193.10152	1.0
194.10818	0.6
195.06522	0.9
195.08253	1.1
195.10153	15.4
195.11670	1.3
196.08842	0.8
196.10541	0.6
197.09650	1.7
197.13286	0.7
199.07497	0.8
199.11143	2.3
201.09160	1.4
201.12791	1.0
202.09976	0.5
203.10567	2.1
205.10301	0.7
205.12146	0.6
206.10867	0.5
207.10194	3.2
207.11807	1.0
209.09691	1.1
209.11583	0.8
209.13292	1.0
211.09509	0.7
211.11258	1.6
213.07562	1.2
213.09187	1.4
213.12823	1.2
214.13474	0.4
215.10719	1.1
216.09500	0.5
217.12277	0.9
219.10005	0.5
221.09718	0.8
221.11539	3.5
221.13638	0.6
223.11266	1.3
225.09216	0.7
225.12729	0.9
227.10684	1.6
227.14418	0.7
229.08543	0.5
229.12303	1.1
231.10075	0.6
233.11586	0.6
235.11198	0.6
237.09172	0.6
237.12836	0.7
239.10808	1.0
239.14284	0.6
241.12256	0.8
243.13805	0.4
245.11510	1.9
246.38089	0.4
249.12968	0.6
251.10718	0.6
251.14377	0.7
253.08749	0.4
253.12131	1.0
255.10136	0.5
257.11661	0.7
261.12912	0.6
263.14316	0.8
265.12402	0.8
265.15979	0.5
267.13861	0.9
269.15509	0.7
271.13235	1.1
273.11215	0.5
277.12152	0.7
279.13934	0.6
279.17441	0.4
283.13358	1.1
284.14420	0.4
285.12247	0.5
289.15796	0.5
295.17068	0.6
297.14960	0.9
299.13293	0.5
305.15860	0.4
311.12936	0.4
317.15402	0.9
319.11896	0.6
319.16879	0.8
321.14868	0.5
323.13010	0.6
337.17871	0.9
339.16162	0.5
347.16479	0.7
359.15497	0.5
361.17874	0.5
363.19785	0.5
365.17471	0.6
373.18103	0.6
377.17203	0.6
379.18829	0.5
381.20834	0.7
389.17581	0.4
391.19089	1.5
392.19830	0.5
393.20792	0.8
403.19305	0.5
405.20645	0.5
409.20282	0.7
411.18127	1.4
413.19543	1.3
417.21097	0.6
419.23111	0.5
421.20016	0.8
423.21613	1.3
433.20203	0.8
435.22501	0.5
439.21265	0.9
441.19266	0.7
445.19833	0.5
447.21664	0.6
449.18896	0.7
451.21298	0.9
453.18729	1.3
453.23560	1.1
457.22205	0.8
459.20273	1.1
463.21066	1.0
465.22815	0.7
467.20779	1.4
471.20203	1.5
481.21921	2.0
483.23853	1.4
485.21518	0.7
489.21384	2.4
491.20465	1.2
499.23373	4.3
500.23581	0.5
501.25436	0.6
509.21729	2.6
510.21304	0.5
517.24170	1.0
527.22778	18.3
528.23352	2.2
535.25342	0.8
545.23810	100.0
546.24176	11.2
546.32880	0.4
563.24878	35.1
564.25427	4.0
689.27924	0.5
730.12244	0.4
774.41479	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01865	0.5
55.05515	3.7
56.05029	1.1
57.03444	3.6
57.07072	0.4
60.08162	6.1
65.03944	0.7
67.05505	12.7
69.07066	2.6
69.32930	3.0
71.04975	0.9
71.07364	4.2
79.05058	0.9
79.05492	9.5
81.03418	16.3
81.07061	13.0
83.04981	1.2
83.08616	3.7
85.02863	0.4
85.06549	0.9
86.09707	30.6
87.10036	0.5
91.05476	6.9
93.07043	9.5
95.04968	5.1
95.06960	0.5
95.08039	0.7
95.08604	7.7
96.08942	0.5
97.02927	1.0
97.06533	1.1
97.10158	1.3
98.98461	3.9
104.10741	2.0
105.07030	5.3
107.04960	1.3
107.08595	5.7
109.06505	1.1
109.10171	3.4
111.08073	1.2
117.06994	1.7
119.08572	4.5
121.06499	0.5
121.10130	3.9
123.08025	0.8
123.11694	1.5
125.00000	22.2
125.09653	1.1
129.06963	2.2
131.08553	3.4
133.10135	2.9
135.11699	2.2
137.09686	0.8
137.13220	0.6
143.08545	0.4
144.58115	0.5
145.10098	1.5
147.08018	0.5
147.11696	2.3
149.09604	1.6
149.13243	1.6
155.08569	0.6
157.10049	2.0
159.11717	1.6
161.13245	2.0
163.11116	0.4
163.14813	1.0
173.13310	1.3
175.11182	1.6
184.07343	100.0
185.07646	1.6
187.14822	0.5
189.11244	0.8
193.12241	3.5
197.35164	0.4
201.16310	0.5
201.95953	0.5
227.12811	1.2
243.21097	1.0
255.72643	0.4
261.22113	3.1
267.15887	15.6
267.71512	0.4
267.99579	0.5
268.16177	1.2
301.25214	1.3
335.25793	14.2
336.26190	1.2
435.32535	0.6
453.33542	1.5
522.29108	0.6
527.29541	0.7
527.37262	9.1
528.37616	1.2
545.38245	6.2
546.38507	1.0
593.22906	0.5
710.43591	4.3
760.42450	1.4
761.40332	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.05512	12.3
57.03443	5.4
57.07069	3.6
65.03954	2.4
67.05505	60.4
68.05820	0.9
69.03426	1.6
69.07067	16.5
69.48183	5.9
71.04993	18.7
71.08631	1.1
73.02901	1.1
79.05491	18.3
81.03435	1.5
81.07056	100.0
82.07381	2.6
83.04984	3.7
83.08617	11.5
83.47776	0.9
85.02924	1.8
85.06535	7.0
86.09696	1.5
91.05482	20.7
93.07042	19.0
95.04980	1.8
95.08607	33.2
97.02853	1.2
97.06527	4.9
97.10167	4.9
98.23355	0.9
99.08091	1.5
105.07020	10.6
107.08591	12.0
109.10152	17.5
111.08092	2.9
117.07036	2.0
118.99109	0.9
119.08597	4.5
121.10136	7.8
121.69002	0.8
123.11711	15.6
125.00097	0.8
125.09618	1.3
131.08583	3.1
133.10121	15.8
133.11060	1.4
135.11705	5.5
137.13257	1.8
139.26814	1.2
141.36713	1.0
145.10155	0.9
147.11707	3.3
149.13271	4.2
151.11153	5.9
151.14772	1.0
153.12808	1.3
159.11714	4.0
161.13249	2.6
163.14841	1.0
169.12292	1.2
173.62964	0.9
175.14865	2.8
177.12732	2.0
179.14452	1.0
183.13837	3.0
184.07350	3.4
187.13304	4.3
187.14790	1.2
190.31772	0.9
195.13818	1.7
227.16393	3.5
253.17833	1.5
257.17578	2.1
263.23694	2.2
269.17447	5.7
301.20074	21.3
317.77435	0.9
337.27380	20.7
338.27979	1.5
487.37744	2.5
505.38843	83.8
506.39435	9.8
519.40369	4.5
531.40521	11.5
532.41571	1.4
563.43042	70.4
564.43530	9.8
645.12274	0.9
761.47803	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.5765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.7
57.07078	28.4
58.00805	1.2
63.59333	1.1
66.84138	1.2
67.05494	3.4
69.07063	4.3
69.09676	3.2
69.10086	10.2
71.08633	28.0
72.01755	1.2
73.02895	1.7
73.06551	10.1
79.23483	1.1
81.07053	5.6
82.46079	1.2
83.08612	5.9
85.10181	19.6
87.04457	11.3
89.06033	100.0
90.06377	1.9
93.07043	1.7
95.08590	1.5
97.10169	5.1
98.23373	3.0
105.03400	1.3
105.07024	2.9
107.07045	2.2
107.08561	2.2
111.11723	3.3
117.09143	8.3
119.91742	1.1
125.13272	2.6
127.14767	1.7
130.08664	2.4
131.07059	3.7
133.08600	48.9
135.10303	1.4
141.16440	1.4
144.35648	1.2
153.18790	1.5
156.28023	1.4
161.11736	2.6
175.09697	3.0
177.11232	18.7
184.07365	3.5
195.28896	1.5
197.22675	2.0
203.18004	1.5
221.13884	3.7
234.12573	1.6
235.13263	3.2
269.04367	1.6
285.27884	4.8
329.30396	2.7
355.15973	1.3
387.18127	1.4
437.29089	1.4
473.15643	1.5
505.39243	1.8
547.33038	1.6
655.64758	1.8
754.37549	1.4
760.46185	2.1
761.46448	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.4
54.37617	0.4
55.05511	1.1
57.03442	0.6
61.02905	0.7
67.05511	2.7
69.03429	0.4
69.07068	0.8
71.04992	0.4
71.31141	0.3
74.20359	0.4
79.05502	1.7
81.03412	1.0
81.07058	2.8
82.86903	0.3
83.04988	0.6
85.02902	3.7
86.09717	1.5
91.05491	1.4
93.07053	1.6
94.07371	0.4
95.08595	1.9
97.02911	1.0
98.10553	0.4
99.04469	2.1
103.03933	3.4
105.03413	0.6
105.06997	0.8
107.04932	0.4
107.08602	1.1
109.02856	0.9
109.10166	0.9
119.08595	1.2
121.10158	1.2
122.10518	0.4
125.00022	0.8
127.03899	3.0
131.08607	0.4
133.10132	1.0
135.11714	0.6
137.09683	0.4
145.04962	2.3
147.11726	0.5
159.11722	0.6
163.06036	1.2
163.11240	0.7
177.19397	0.4
184.07329	3.9
185.07613	0.4
236.12180	0.4
265.08347	0.6
301.16656	0.4
335.25906	0.8
337.27151	0.7
361.25098	0.5
483.16177	0.9
535.26434	0.7
546.38495	0.5
564.39905	0.5
761.38739	100.0
762.39050	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.02553	0.4
55.05508	0.8
56.45239	0.4
57.03430	1.9
59.04999	1.2
61.02929	4.8
63.97987	0.4
67.05515	2.4
68.14965	0.4
69.03426	2.6
69.07062	1.0
69.08682	0.5
69.08880	0.8
69.09279	2.9
71.01369	0.5
71.05003	2.5
73.02919	3.0
78.03864	0.4
79.05493	4.4
81.03419	5.4
81.07059	3.1
83.04984	1.0
83.08631	1.4
85.02905	5.0
85.06553	0.7
87.04486	1.2
91.03964	2.0
91.05481	3.9
93.07044	3.1
95.04958	2.1
95.08624	0.9
96.70617	0.4
97.02895	4.5
97.06545	1.2
98.22617	0.7
101.02402	1.3
103.03952	0.5
105.07036	2.8
107.08627	2.0
109.02919	0.5
109.06519	0.5
109.10160	0.5
111.08102	0.7
111.36213	0.4
119.08558	2.1
121.10145	3.5
123.08081	0.8
126.93263	0.4
127.03930	1.1
129.07011	1.3
131.08574	2.1
131.76933	0.4
133.10150	1.8
147.11703	1.9
149.09625	3.5
157.10188	1.6
175.11240	1.4
185.04234	0.5
193.12242	2.6
197.15390	0.7
199.87891	0.4
203.05286	0.6
225.14908	1.4
233.11681	0.5
243.08401	2.8
267.15839	2.2
283.15161	7.5
339.17972	1.9
351.54889	0.4
403.32367	0.5
441.21255	0.8
469.20313	0.6
497.69083	0.4
501.23065	29.2
502.23676	2.2
577.84680	0.5
599.34369	0.9
619.59143	0.6
761.39221	100.0
762.39417	15.1
774.75995	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
54.86539	0.4
55.01876	1.1
55.05513	1.4
55.73921	0.4
57.03438	1.1
61.02929	5.0
64.16938	0.3
67.05498	3.0
69.03432	2.2
69.06782	0.9
69.07180	2.8
69.89323	0.3
71.01368	0.6
71.05003	0.8
73.02916	3.1
73.08989	0.4
79.05495	3.9
81.03420	2.0
81.07053	3.1
83.01319	0.4
83.04995	1.2
83.08628	1.0
85.02911	5.2
86.09704	1.7
87.38208	0.4
91.03951	2.3
91.05482	3.5
93.07042	4.4
95.04980	0.8
95.08110	0.3
95.08597	2.0
97.02900	3.8
97.06584	0.4
99.04471	1.0
101.02390	2.0
105.07034	2.6
107.04993	0.5
107.08593	2.7
109.02911	0.5
109.10184	0.9
117.07032	1.1
119.08552	1.8
121.06538	0.5
121.10173	1.4
122.62967	0.3
123.08121	0.9
125.00038	0.7
127.03941	1.7
130.50644	0.4
131.08540	0.9
133.10156	1.9
135.11758	1.3
137.09613	0.5
143.08611	0.6
145.10173	1.6
147.08066	0.4
147.11691	0.8
163.11154	1.7
171.11807	0.5
176.62001	0.4
181.12372	0.4
184.07346	4.3
185.04306	1.1
192.57452	0.4
203.05351	0.5
210.54097	0.5
243.08376	2.9
259.20676	0.5
301.09103	0.8
317.20938	0.6
349.54709	0.4
373.11295	0.5
465.21088	0.8
465.43405	0.4
467.18878	10.9
468.19156	1.2
469.20502	1.1
535.28754	4.7
539.20996	0.4
761.40759	100.0
762.41199	16.9
762.55206	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
55.01876	1.1
55.05511	1.4
57.03434	2.2
60.53960	0.3
61.02931	4.2
67.05507	3.8
69.03429	2.5
69.07068	3.2
69.69620	1.7
73.02921	2.5
73.09520	0.4
79.05497	3.3
81.03417	3.4
81.07057	5.3
83.04993	1.3
83.08627	1.2
85.02905	5.0
85.03359	0.4
86.09725	1.1
87.04491	0.7
91.03968	2.1
91.05482	4.8
93.07050	3.5
95.04997	1.9
95.08624	2.8
97.02902	3.7
97.06552	1.1
99.04448	0.7
101.02393	1.7
102.02563	0.3
103.03971	0.8
105.07032	6.1
106.18678	0.4
107.04983	1.6
107.08631	1.7
109.02892	0.8
109.06553	0.6
109.10164	0.6
111.08080	0.4
113.06652	0.4
116.14369	0.4
117.07063	1.2
119.08575	3.0
121.10164	1.6
123.08067	0.6
125.00019	1.0
127.03940	1.1
129.07069	0.8
131.08583	2.2
133.10133	3.0
135.11716	1.1
138.81094	0.4
141.06927	0.5
145.04948	0.5
145.10167	1.3
147.11740	1.6
149.09644	1.2
149.13393	0.4
157.10152	0.7
159.11731	1.2
161.13441	0.4
163.11177	0.8
169.10143	0.4
175.11172	0.4
179.14378	0.8
184.07335	4.8
185.04262	0.7
185.07677	0.4
193.12321	0.7
203.05353	0.4
211.43306	0.4
221.90721	0.3
224.43376	0.4
243.08405	2.6
248.74867	0.4
251.12691	1.0
259.07880	0.4
275.19968	0.4
309.69363	0.4
315.19281	2.7
371.22043	1.6
395.60672	0.4
469.20441	6.0
470.21118	0.6
533.27142	9.0
533.34540	0.7
534.27496	1.2
761.40771	100.0
762.41144	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.8
54.48725	0.9
55.05511	1.1
57.03434	2.0
61.02931	2.7
67.05504	5.2
69.03426	11.3
69.07077	1.3
69.07854	7.5
69.17840	1.0
71.05005	4.9
73.02938	2.3
74.78084	0.8
79.05520	2.0
81.03415	15.8
81.07061	5.5
83.08615	1.3
85.02903	72.7
91.05488	1.9
93.07068	6.6
95.04951	1.3
95.08602	10.2
95.71978	0.9
97.02897	22.4
97.06538	1.6
99.04456	35.1
100.98103	1.0
103.03940	95.7
104.04283	1.7
105.07043	4.1
107.08604	5.7
109.02882	17.2
109.06545	1.1
109.10143	5.9
115.03864	1.0
116.13267	0.9
119.08593	4.9
121.10148	3.9
123.11706	2.2
125.09600	1.0
125.17593	0.9
127.03912	100.0
128.04277	2.8
131.08542	2.1
133.10114	7.6
135.11694	3.3
145.04958	60.8
145.10078	4.5
146.05342	1.7
147.11679	4.1
149.13287	1.1
157.10106	1.8
159.11713	4.1
161.13264	5.5
163.06018	47.7
163.11346	0.9
169.05026	1.4
173.13295	3.6
175.14836	1.7
184.07300	1.5
187.06015	5.9
187.14914	5.5
189.16379	1.5
201.16411	4.6
203.17975	4.5
205.07130	3.7
215.17932	1.6
219.17480	1.4
233.15407	1.0
235.16978	3.4
247.16916	2.4
253.07022	1.7
261.18692	1.1
271.08121	6.7
289.09222	3.9
307.10208	6.1
313.25006	1.5
327.27246	1.4
329.25098	1.1
409.34708	2.6
419.33273	2.4
437.34201	13.4
455.35175	8.0
761.46265	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.5
53.17434	1.6
55.05520	7.9
57.03424	2.3
57.07061	2.5
61.02930	4.8
65.11976	1.6
67.05510	21.0
69.03436	22.1
69.07079	10.2
71.04978	7.0
73.02907	6.9
79.05499	10.0
81.03417	22.3
81.07058	31.1
83.04959	2.8
83.08608	5.4
85.02906	74.5
88.48740	1.6
91.03959	2.0
91.05479	18.2
93.07040	26.3
94.07378	1.5
95.04974	7.3
95.08612	65.9
97.02894	32.0
97.06509	2.9
97.10181	3.1
99.04459	47.7
103.03949	74.0
104.04290	2.7
105.07034	28.8
107.08604	33.0
109.02889	26.1
109.06534	2.3
109.10167	32.0
111.04490	2.2
111.08076	3.1
113.05993	1.6
117.07027	6.8
119.08580	32.6
121.10146	30.7
123.08067	6.3
123.11721	11.7
125.09608	2.7
127.03922	100.0
128.04236	3.3
129.06982	2.6
131.08575	15.5
133.10138	30.9
134.10548	1.6
135.08080	2.0
135.11688	16.6
137.09698	2.1
137.13242	3.2
139.07518	2.4
141.09076	4.9
142.07867	2.4
143.08575	7.1
144.09348	1.8
145.04973	51.7
145.10138	36.4
146.05164	1.9
147.08102	2.9
147.11694	28.9
149.13277	11.1
152.61761	1.5
157.10152	8.0
158.10950	2.0
159.11713	32.2
160.12302	2.2
161.09613	5.3
161.13268	26.1
163.06046	24.6
163.14816	6.2
164.47968	1.7
169.10150	2.5
171.11685	4.9
173.13268	20.9
175.11270	2.9
175.14807	16.4
177.16376	5.6
183.11627	2.8
184.07306	4.7
185.13284	6.6
187.06004	7.6
187.14798	26.3
189.16388	16.7
191.17920	4.1
199.14832	6.7
201.16408	39.5
202.16881	2.7
203.17975	27.8
205.07018	6.0
213.16368	5.5
215.14467	1.7
215.18005	11.0
217.15814	2.3
217.19478	5.8
221.15247	3.2
223.14859	1.9
225.16562	2.7
227.18013	3.3
229.15967	2.1
229.19511	3.1
233.15367	4.7
235.16946	5.9
239.18007	1.9
241.19528	3.0
247.16855	8.0
253.14275	2.1
255.20981	2.8
259.16830	2.3
261.18518	3.5
271.08148	6.3
275.20023	2.6
289.09250	4.5
297.25516	2.1
299.19995	2.7
307.10220	4.5
313.21628	1.7
327.27005	1.9
395.29169	2.0
419.32974	3.6
435.32663	2.8
437.34146	83.1
438.34579	11.4
455.35062	6.0
469.20624	5.4
527.35358	3.2
545.36652	2.4
581.19641	1.8
650.97430	1.9
761.40833	32.1
762.41052	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.05513	67.4
69.01830	10.7
69.02243	4.2
69.03428	4.2
72.41092	1.3
81.03409	4.9
82.02151	1.5
83.04983	100.0
85.02913	2.7
86.09702	3.6
91.05453	1.5
93.06986	1.7
93.07563	1.4
97.02892	3.8
101.26403	1.6
109.10143	1.7
116.81934	1.5
127.03915	1.8
157.81790	1.4
184.07387	6.2
195.06511	2.8
195.08128	2.2
221.05959	1.6
223.07466	1.5
227.09180	5.8
235.07552	2.1
236.08464	1.4
237.09229	1.9
239.07004	3.4
243.02863	1.7
245.10219	3.5
250.06175	2.9
251.07053	5.7
252.07852	2.6
253.04881	1.6
253.08650	2.1
254.05766	2.0
257.04437	5.5
262.06390	2.1
263.06946	3.7
264.07764	3.2
265.08609	3.6
267.06464	1.6
278.05762	1.7
279.06491	7.5
280.07260	5.5
281.08109	4.5
282.08820	2.4
283.05942	2.4
285.03976	3.3
286.04703	3.1
286.79385	1.7
291.06577	2.2
292.07309	3.4
293.08054	6.4
294.08749	1.9
295.06143	2.3
295.09378	3.2
297.07562	2.2
298.08374	3.1
299.05566	2.7
299.09033	2.2
300.06247	3.6
301.06970	8.9
305.08023	3.5
306.08401	2.4
307.06070	3.6
307.09442	2.2
308.06747	2.7
309.07568	9.3
309.10870	1.9
310.08014	3.1
311.05527	1.7
311.09097	4.2
313.07013	2.7
314.07852	2.7
317.06302	1.6
321.07617	5.2
322.08240	3.4
323.05786	1.8
323.09061	8.6
324.09778	10.7
325.07159	2.9
325.10791	4.4
327.08630	3.2
327.12241	2.8
329.10147	12.7
333.07690	1.9
335.09152	2.1
337.07184	2.8
337.10760	3.6
338.07803	2.7
339.08530	3.3
341.10214	6.0
343.11649	2.7
350.07581	2.1
351.08484	3.9
352.09308	5.5
353.10223	12.8
355.11758	25.0
365.10205	20.7
366.10693	1.8
371.11157	5.7
383.06351	2.6
383.11249	53.4
384.11685	4.6
401.12222	6.4
483.16412	8.8
594.85333	1.7
762.33411	24.6
763.33734	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.3
56.05037	1.0
58.06625	0.5
60.08163	7.5
61.02930	0.2
63.27851	0.2
67.05502	0.7
69.57732	0.8
70.06555	0.2
71.07370	4.1
74.11414	0.2
77.83653	0.2
79.05496	0.4
81.03416	0.7
81.07053	0.8
83.04990	0.2
85.02898	0.6
86.09703	36.0
87.10036	0.7
91.05458	0.4
93.07039	0.5
95.04942	0.3
95.08610	0.6
96.08950	0.2
97.02872	0.3
98.98463	4.7
99.04460	0.4
100.71569	0.2
103.03960	0.4
104.10744	2.6
105.07040	0.3
107.08598	0.3
119.08588	0.5
121.10150	0.2
125.00001	26.1
127.03935	0.7
131.08543	0.2
131.67506	0.2
143.01035	0.2
145.04967	0.2
147.11621	0.2
160.34406	0.2
161.23929	0.2
163.06065	0.2
184.07336	100.0
185.07680	1.8
212.65886	0.2
215.08810	0.2
217.13257	0.2
267.15976	0.2
337.27075	0.2
342.06009	0.2
520.33575	0.3
529.38318	0.3
535.58215	0.2
562.72540	0.2
682.13629	0.2
712.45422	3.6
713.44928	0.7
721.34686	0.2
762.40094	0.3
763.40558	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01866	3.9
55.05513	8.4
55.13538	1.2
57.03437	1.3
57.07083	13.8
66.05764	1.2
67.05497	18.3
69.07071	10.8
71.04989	3.6
71.08636	7.8
71.29913	2.8
77.82486	1.2
79.05485	9.6
81.06584	2.4
81.07056	40.8
83.04984	2.6
83.08606	6.5
85.10172	3.6
86.09696	2.3
91.05495	6.5
93.07039	6.6
95.04960	1.9
95.08599	16.0
97.06526	2.6
97.10170	3.0
98.98478	1.9
105.07039	5.2
107.08581	7.8
109.06507	10.6
109.10159	5.3
111.04431	17.8
117.07063	2.1
119.08581	5.2
121.10154	6.6
123.08051	3.2
123.11700	5.0
125.06028	6.3
133.10124	7.4
135.08054	3.6
135.11687	6.5
137.05972	100.0
137.13248	2.9
138.06345	2.0
143.08522	2.3
145.10181	2.2
147.11662	7.0
149.09631	5.0
149.13287	2.4
151.07600	3.1
151.11165	2.6
157.10100	2.8
161.09662	7.0
161.13237	3.1
163.11162	4.0
165.09135	3.2
171.11681	2.3
175.11192	5.7
175.14810	1.6
179.10699	2.4
184.07262	6.2
193.12308	2.0
203.17986	6.5
207.13730	1.4
213.16399	3.1
221.19029	1.4
231.17421	8.7
249.18500	4.3
277.17953	28.4
278.18350	2.1
282.27896	1.6
295.16089	1.3
295.18848	6.7
313.27216	2.6
320.22144	5.5
339.29059	1.5
384.19916	1.6
483.70200	1.4
507.40320	6.1
533.42065	1.6
565.44299	5.5
589.44543	42.6
590.44672	6.4
621.47119	28.5
622.46887	4.7
703.58441	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.9
56.52198	0.8
60.08162	6.1
61.02927	1.2
67.05509	1.9
67.87451	0.7
69.03431	1.2
69.53370	1.6
69.53761	1.9
71.07378	2.3
73.02921	1.3
79.05491	1.6
81.03436	1.4
81.07070	1.6
85.02930	1.7
86.09707	24.1
87.10060	2.6
91.03977	1.1
91.05489	1.2
93.07077	1.2
95.08630	1.8
97.02888	2.3
98.22668	1.5
98.67738	0.8
98.98447	3.7
104.10759	2.2
105.07092	1.0
107.08614	1.5
118.76482	0.8
125.00006	17.3
145.10211	1.0
147.59961	0.9
161.57594	0.8
184.07341	73.0
185.07729	11.7
283.25250	1.0
467.18741	1.3
485.18704	1.0
519.29541	1.6
535.27191	1.0
591.64679	0.9
635.36090	1.0
713.45435	2.5
745.40991	1.9
763.40588	100.0
764.40833	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.1
60.08161	1.2
67.05505	3.1
69.06511	4.2
69.06940	4.2
71.07353	1.2
75.89708	0.8
79.05492	2.7
81.03430	2.6
81.07056	2.5
85.02888	2.0
86.09707	5.4
91.05484	1.5
93.07053	2.6
95.08606	2.1
97.02917	1.9
105.03397	1.8
107.08591	1.0
109.10144	1.7
119.08614	1.1
125.00040	3.4
141.40265	0.9
184.07336	16.7
185.07690	2.2
207.42670	1.1
239.60921	0.9
279.39172	1.0
338.27469	1.4
473.45673	1.0
485.18976	1.0
548.41180	1.0
605.11987	1.0
713.46149	1.1
723.71454	1.1
763.40503	100.0
764.40765	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.01877	0.6
55.05508	1.3
57.03444	1.6
60.08179	0.3
61.02926	4.3
62.49043	0.3
67.05499	3.9
68.41697	0.3
69.03429	2.9
69.07066	1.8
69.21333	2.8
69.50735	0.3
69.70623	0.3
69.94514	0.3
71.01366	0.6
71.05003	0.5
72.20618	0.4
73.02914	3.7
73.55251	0.3
79.05493	4.4
81.03425	2.6
81.07068	2.9
83.04996	0.7
83.08638	0.9
85.02909	5.1
86.09693	1.5
91.03960	2.9
91.05481	5.4
93.07040	5.1
93.19480	0.3
95.04961	1.6
95.08586	2.3
97.02903	3.5
99.04462	0.9
101.02393	1.9
105.07036	3.7
105.35428	0.3
107.08600	2.1
109.02907	0.5
109.10191	0.8
115.01158	0.3
115.03970	0.5
117.07027	0.8
119.08561	3.0
119.09245	0.3
121.10165	1.5
125.00028	1.0
127.03927	1.3
128.06186	0.3
129.07033	0.9
131.08549	1.7
133.10127	2.4
135.11728	0.9
145.10121	0.7
147.11670	2.0
149.09668	0.4
149.13248	0.5
156.42227	0.3
157.10155	0.7
159.11755	0.7
161.13333	0.4
171.11707	0.4
175.11261	0.6
184.07332	4.0
184.08691	0.4
185.04286	1.2
185.07594	0.4
193.12340	0.5
223.79686	0.3
243.08389	2.9
245.09497	0.3
248.60063	0.3
251.12584	1.3
259.20697	0.5
287.16354	0.3
301.09036	1.0
307.15216	0.4
313.08966	0.3
315.10812	0.6
323.13730	0.4
354.13394	0.3
373.11145	0.6
397.18121	0.5
455.20062	0.3
465.21082	0.4
469.20395	6.0
469.26440	0.5
535.28723	8.6
536.28851	0.9
541.22711	1.0
555.24274	0.4
702.75922	0.4
763.42316	100.0
764.42633	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01874	0.6
55.05508	1.4
55.58717	0.2
57.03428	1.6
60.11679	0.2
61.02928	3.8
62.68976	0.2
65.03960	0.3
67.05500	3.1
69.03426	2.7
69.07069	1.1
69.78995	0.2
69.79307	1.1
71.01374	0.3
71.04987	0.6
73.02913	3.0
77.37412	0.2
79.05495	3.1
81.03415	3.7
81.07056	2.7
83.04993	0.4
83.08624	1.1
85.02904	5.0
85.06579	0.3
86.09732	0.4
87.04465	0.3
91.03967	2.6
91.05474	3.6
93.07034	3.1
94.35137	0.2
95.04976	1.4
95.08616	1.6
97.02899	3.9
99.04474	0.7
101.02390	1.4
103.03994	0.3
105.07027	2.9
107.05006	0.4
107.08580	1.8
109.02930	0.6
109.06517	0.5
109.10164	0.7
111.08096	0.4
115.03916	0.4
117.07010	0.4
119.08596	2.1
121.10175	1.2
123.08108	0.3
125.00023	0.3
127.03923	0.9
129.07040	0.8
131.08513	1.1
133.10158	1.9
135.11700	0.6
145.05035	0.3
145.10172	0.9
147.11697	1.6
149.09697	0.4
151.30472	0.2
157.10178	1.3
159.11679	0.3
161.13280	0.4
175.11209	1.1
184.07372	1.9
185.04294	0.9
193.12238	1.6
201.03749	0.3
203.05318	0.5
211.13419	0.7
241.06946	0.3
243.08377	2.9
251.12634	1.1
256.34872	0.2
259.20697	0.5
285.17065	0.5
301.08856	1.5
307.15295	0.5
315.10574	0.6
317.20917	0.5
369.15463	0.2
373.11093	0.5
383.16708	0.4
443.19098	0.7
465.20950	0.5
469.20438	11.7
470.20776	0.7
499.20880	0.3
523.92065	0.2
535.28882	3.7
536.28918	0.4
541.22485	1.2
555.24261	0.3
569.25330	0.3
625.31799	0.4
693.35004	0.2
763.42322	100.0
764.42688	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01865	0.7
55.05518	2.0
57.03444	2.6
60.08170	1.5
61.02925	6.5
67.05504	6.4
69.03430	4.7
69.07069	2.4
71.01361	0.8
71.04977	0.9
71.07375	1.0
71.30370	0.8
71.30745	0.5
73.02925	4.7
75.89756	0.4
79.05487	4.3
81.03412	3.6
81.07051	7.0
82.31325	0.4
83.05000	1.2
83.08619	0.5
85.02910	5.8
85.03394	0.7
86.09708	8.5
87.04479	0.8
87.09454	0.4
87.10040	0.8
91.03954	4.4
91.05485	3.5
93.07054	5.0
95.04987	0.5
95.08606	5.2
95.73791	0.4
97.02891	5.9
97.06535	0.9
98.23177	0.6
98.98464	1.0
99.04492	0.8
101.02386	1.3
103.04020	0.5
104.10719	0.5
105.07014	2.5
107.08605	3.1
109.02916	0.9
109.06552	0.7
109.10140	2.3
111.04484	0.6
111.18487	0.5
117.07034	0.5
118.19642	0.4
119.08584	2.2
121.10137	3.1
123.08076	0.4
123.11776	0.5
124.99997	5.9
127.03944	1.7
131.08603	1.1
133.10173	1.2
135.11722	2.2
143.08604	0.5
145.05029	0.5
145.10170	1.7
147.11736	1.1
148.12126	0.4
149.09662	0.6
159.11676	0.5
161.13219	0.6
163.11241	1.2
184.07336	27.0
185.07693	4.5
203.05354	0.5
203.17970	0.6
209.11679	0.7
213.50262	0.4
243.08440	2.1
247.06094	0.5
267.11963	2.2
310.41730	0.4
335.26001	0.7
375.14041	0.5
441.17365	1.4
485.19775	3.7
519.29346	7.0
520.29791	0.7
530.39374	0.7
566.33698	0.5
713.45959	1.1
719.39752	1.8
745.41083	5.0
746.42694	0.5
763.42242	100.0
764.42627	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01865	0.8
55.05505	1.3
57.03436	1.7
61.02927	7.1
67.05511	4.9
69.03436	3.6
69.07061	1.6
69.45620	0.4
70.08880	0.3
70.17264	1.1
70.49427	0.3
71.01353	0.5
71.04993	0.8
73.02919	4.8
79.05500	4.8
81.03425	2.8
81.07056	4.5
82.07428	0.4
83.04993	0.7
83.08630	0.8
85.02905	6.6
86.09709	1.5
91.03954	4.9
91.05489	2.5
93.07058	3.9
95.04977	0.8
95.08609	4.7
97.02898	4.6
99.04472	1.0
101.02399	1.3
101.05895	0.4
103.03951	0.7
105.03410	0.8
105.07022	1.8
107.05025	0.4
107.08601	3.0
109.02902	1.0
109.10130	2.1
115.03934	0.5
117.07046	1.0
119.08582	2.0
121.10142	2.9
123.08103	0.5
125.00008	1.2
125.05968	0.4
125.09634	0.3
127.03876	1.8
131.08582	1.0
133.10152	1.3
135.11697	1.9
137.05927	0.5
137.09557	0.4
145.10144	1.2
147.11688	0.8
157.10153	0.5
163.11229	1.0
173.09680	0.4
184.07362	6.0
185.04237	0.5
185.07724	0.8
201.16377	0.3
203.17950	0.4
205.23123	0.3
214.37454	0.3
217.12300	0.7
243.08502	1.6
267.12024	3.0
335.25827	0.8
441.17444	1.4
467.19168	0.4
485.19971	4.2
519.29315	8.9
519.36237	0.4
520.29926	0.8
530.39209	0.5
594.69757	0.4
717.41351	1.1
717.53479	0.4
719.39740	1.8
745.41479	2.9
763.42310	100.0
764.42639	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01865	0.7
55.05518	2.0
57.03444	2.6
60.08170	1.5
61.02925	6.5
67.05504	6.4
69.03430	4.7
69.07069	2.4
71.01361	0.8
71.04977	0.9
71.07375	1.0
71.30370	0.8
71.30745	0.5
73.02925	4.7
75.89756	0.4
79.05487	4.3
81.03412	3.6
81.07051	7.0
82.31325	0.4
83.05000	1.2
83.08619	0.5
85.02910	5.8
85.03394	0.7
86.09708	8.5
87.04479	0.8
87.09454	0.4
87.10040	0.8
91.03954	4.4
91.05485	3.5
93.07054	5.0
95.04987	0.5
95.08606	5.2
95.73791	0.4
97.02891	5.9
97.06535	0.9
98.23177	0.6
98.98464	1.0
99.04492	0.8
101.02386	1.3
103.04020	0.5
104.10719	0.5
105.07014	2.5
107.08605	3.1
109.02916	0.9
109.06552	0.7
109.10140	2.3
111.04484	0.6
111.18487	0.5
117.07034	0.5
118.19642	0.4
119.08584	2.2
121.10137	3.1
123.08076	0.4
123.11776	0.5
124.99997	5.9
127.03944	1.7
131.08603	1.1
133.10173	1.2
135.11722	2.2
143.08604	0.5
145.05029	0.5
145.10170	1.7
147.11736	1.1
148.12126	0.4
149.09662	0.6
159.11676	0.5
161.13219	0.6
163.11241	1.2
184.07336	27.0
185.07693	4.5
203.05354	0.5
203.17970	0.6
209.11679	0.7
213.50262	0.4
243.08440	2.1
247.06094	0.5
267.11963	2.2
310.41730	0.4
335.26001	0.7
375.14041	0.5
441.17365	1.4
485.19775	3.7
519.29346	7.0
520.29791	0.7
530.39374	0.7
566.33698	0.5
713.45959	1.1
719.39752	1.8
745.41083	5.0
746.42694	0.5
763.42242	100.0
764.42627	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.5
55.05511	1.6
57.03444	4.0
57.07082	1.2
60.08165	3.7
61.02923	6.0
65.13841	0.9
67.05508	5.4
69.03430	3.8
69.07074	1.6
69.96583	0.8
71.07355	1.6
73.02909	4.6
79.05504	4.3
81.03439	2.1
81.07069	6.1
83.04980	1.4
85.02902	6.3
86.09705	16.7
87.10069	2.9
91.03958	5.6
91.05499	3.6
93.07059	3.8
95.08627	4.2
97.02894	6.2
98.98511	1.6
99.04456	0.9
101.02400	2.4
103.03965	0.8
104.10754	1.8
105.07056	3.2
107.04974	1.0
107.08601	2.6
109.10194	2.4
119.08624	2.8
121.10119	2.0
125.00005	14.1
127.03956	2.5
129.05522	1.8
133.10146	1.7
135.11731	1.2
145.10133	1.1
157.10173	1.1
159.11716	1.2
181.04692	1.1
184.07341	65.6
185.04208	7.4
185.07707	9.2
195.06296	1.1
201.03720	3.2
201.07613	0.9
203.05380	1.3
217.12274	4.4
243.08426	5.6
248.03317	0.9
251.12505	1.9
272.55789	0.9
301.08908	14.6
315.10605	4.1
317.08618	1.1
327.23056	1.3
335.25894	1.7
355.13776	1.3
357.15256	1.5
369.15421	1.4
371.17285	1.2
373.11145	6.8
385.18265	8.8
387.13022	1.3
399.25461	0.9
415.16013	1.8
429.17474	2.9
457.20410	2.3
467.18573	1.0
469.20547	4.0
470.21246	1.3
483.22519	1.4
509.23764	3.2
513.27148	1.7
519.29242	15.2
520.29376	1.6
523.25067	2.4
529.35071	1.4
563.28241	1.1
578.30518	12.5
579.30811	2.0
591.31305	6.2
592.32092	1.5
605.32880	2.8
619.34558	2.5
633.35925	1.5
661.39093	6.4
662.39972	8.5
663.40063	1.1
679.40900	2.9
701.41748	1.1
703.40472	1.3
713.45825	4.2
745.41473	5.7
746.42212	3.2
763.42181	100.0
764.42407	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.01877	0.6
55.05508	1.3
57.03444	1.6
60.08179	0.3
61.02926	4.3
62.49043	0.3
67.05499	3.9
68.41697	0.3
69.03429	2.9
69.07066	1.8
69.21333	2.8
69.50735	0.3
69.70623	0.3
69.94514	0.3
71.01366	0.6
71.05003	0.5
72.20618	0.4
73.02914	3.7
73.55251	0.3
79.05493	4.4
81.03425	2.6
81.07068	2.9
83.04996	0.7
83.08638	0.9
85.02909	5.1
86.09693	1.5
91.03960	2.9
91.05481	5.4
93.07040	5.1
93.19480	0.3
95.04961	1.6
95.08586	2.3
97.02903	3.5
99.04462	0.9
101.02393	1.9
105.07036	3.7
105.35428	0.3
107.08600	2.1
109.02907	0.5
109.10191	0.8
115.01158	0.3
115.03970	0.5
117.07027	0.8
119.08561	3.0
119.09245	0.3
121.10165	1.5
125.00028	1.0
127.03927	1.3
128.06186	0.3
129.07033	0.9
131.08549	1.7
133.10127	2.4
135.11728	0.9
145.10121	0.7
147.11670	2.0
149.09668	0.4
149.13248	0.5
156.42227	0.3
157.10155	0.7
159.11755	0.7
161.13333	0.4
171.11707	0.4
175.11261	0.6
184.07332	4.0
184.08691	0.4
185.04286	1.2
185.07594	0.4
193.12340	0.5
223.79686	0.3
243.08389	2.9
245.09497	0.3
248.60063	0.3
251.12584	1.3
259.20697	0.5
287.16354	0.3
301.09036	1.0
307.15216	0.4
313.08966	0.3
315.10812	0.6
323.13730	0.4
354.13394	0.3
373.11145	0.6
397.18121	0.5
455.20062	0.3
465.21082	0.4
469.20395	6.0
469.26440	0.5
535.28723	8.6
536.28851	0.9
541.22711	1.0
555.24274	0.4
702.75922	0.4
763.42316	100.0
764.42633	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
53.11216	0.5
55.01876	1.2
55.05514	1.7
57.03434	3.3
57.07062	0.9
60.08167	2.9
61.02925	9.1
67.05508	5.6
69.03432	4.2
69.07075	2.0
71.04990	1.1
71.07359	1.0
73.02921	6.3
79.05489	5.2
81.03426	2.6
81.07060	5.7
82.79486	0.6
83.01090	1.3
83.04969	0.5
83.08624	1.2
85.02907	7.6
86.09705	11.1
87.10024	1.1
91.03957	5.7
91.05492	3.5
93.07053	4.5
95.01102	0.9
95.05023	0.7
95.08615	4.0
97.02902	6.6
97.06543	0.7
98.22586	1.4
98.98454	0.8
99.04478	1.7
101.02402	2.2
103.03952	1.1
104.10802	0.7
105.07069	2.0
107.08600	2.0
109.02906	0.8
109.10177	1.9
117.05500	0.9
117.07101	0.9
119.08585	1.9
121.10175	1.7
123.04250	1.0
123.11768	1.1
124.99998	9.1
127.03919	2.4
129.05453	2.4
131.08580	1.0
133.10161	1.3
135.11708	1.1
143.07156	0.7
145.04962	1.3
145.10091	1.2
147.11714	0.8
149.13322	0.5
150.70001	0.5
153.60730	0.5
156.03943	0.6
173.13330	0.5
181.04799	2.0
184.07341	40.7
185.04243	8.7
185.07733	5.0
185.11740	0.5
186.07999	0.6
193.55374	0.4
195.06342	1.1
201.03801	2.3
203.05339	1.4
217.12376	0.5
218.95540	0.5
227.05284	1.0
241.06821	1.0
243.08385	6.3
251.12454	0.6
259.08035	0.6
267.12207	0.5
271.07733	0.5
284.87967	0.6
301.08911	15.4
302.09387	0.5
313.09097	1.0
315.10477	5.0
317.08740	0.6
327.10486	1.1
327.22937	1.1
329.11676	0.7
335.25827	1.7
341.12067	0.7
343.13535	1.3
355.13904	0.9
357.15271	1.4
361.76654	0.6
369.15411	1.9
371.16791	3.1
373.11035	8.7
383.16849	1.2
385.18283	11.1
385.23001	0.8
386.18243	0.8
387.12775	2.0
399.25089	1.1
405.25320	0.6
415.15988	1.6
417.26205	0.6
429.17285	3.1
430.17688	0.9
435.19772	0.6
441.21191	0.6
443.18982	0.8
445.25372	0.5
455.18918	1.5
457.20267	2.6
463.22687	0.7
467.19016	1.0
469.20413	4.9
470.21173	1.2
471.22391	0.8
483.22220	1.6
483.34558	0.7
485.19943	1.2
495.22324	1.2
509.23367	3.3
510.24625	1.0
513.26636	1.7
519.29272	18.9
520.29755	1.8
523.25299	2.3
529.34979	0.7
535.28363	0.8
543.88391	0.6
549.26819	2.0
561.30334	0.7
563.28674	0.7
567.31354	1.0
568.31061	0.6
577.29901	0.8
578.30591	14.3
579.30573	2.3
591.31390	9.4
592.31696	0.9
593.32953	0.9
594.33411	0.7
605.32794	2.7
606.33911	0.6
607.34613	1.1
610.29755	1.0
619.34619	3.5
633.36182	3.3
634.37341	0.7
647.37451	1.2
661.39117	7.7
662.40100	8.4
663.40533	1.2
675.40875	1.5
679.40363	2.2
701.42719	1.0
703.40247	1.8
713.45789	2.1
717.41632	1.9
718.41272	0.7
745.41235	5.5
746.40912	2.8
763.42108	100.0
764.42346	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.05509	1.8
57.03433	2.1
57.52061	0.4
57.71545	0.4
61.02928	8.8
67.05507	6.7
69.03424	4.7
69.07076	1.6
69.07712	4.0
71.04999	4.1
73.02919	6.0
75.47312	0.4
79.05486	5.0
81.03429	1.9
81.07055	8.7
83.04945	0.7
83.08622	1.1
85.02905	6.5
91.03967	3.4
91.05472	4.0
93.07044	5.2
94.43556	0.4
95.04996	0.7
95.08620	4.0
97.02900	6.5
97.06551	0.9
99.04464	1.0
101.02375	2.4
103.03945	0.6
105.07014	2.4
107.08585	2.3
109.02907	1.6
109.10194	1.7
115.03948	0.6
117.07025	0.9
117.77100	0.4
119.08627	1.1
121.10165	1.5
123.11695	1.0
127.03921	2.2
131.08540	0.9
133.10098	2.5
135.11748	1.1
145.10144	0.7
149.13251	0.6
151.11179	0.8
157.62042	0.4
159.11786	1.1
161.13263	0.4
183.13797	0.6
184.07413	0.6
185.04221	0.6
243.08424	2.9
257.17676	0.5
267.15823	1.5
275.12970	0.5
322.40817	0.5
335.26031	0.6
344.74756	0.5
350.13492	0.4
370.27979	0.4
442.15967	0.4
485.23520	7.3
486.24023	1.0
519.29279	7.0
520.30060	1.2
763.45990	100.0
764.46350	20.0
792.37744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	44.7
69.03418	13.3
71.31822	8.4
75.46431	4.2
77.27866	4.8
81.03409	8.9
83.04979	100.0
85.02906	9.2
97.02908	11.9
99.04460	9.9
109.02904	5.1
111.04449	8.5
127.03954	10.1
131.04915	13.3
132.05717	8.5
137.05974	13.9
145.04868	5.0
161.06058	6.4
175.07623	6.7
179.10605	5.1
187.21536	4.5
207.10179	15.5
223.07623	10.1
224.08324	4.7
227.09161	6.4
236.08353	5.7
237.09171	6.3
239.06979	6.4
241.05075	6.5
245.10278	22.6
251.07124	21.5
253.04933	6.8
253.08678	10.6
254.05849	6.3
255.06781	5.6
255.10204	6.0
263.07150	4.8
265.08469	9.6
267.06693	5.9
268.07263	12.1
279.06558	18.4
280.07294	8.8
281.04568	5.6
281.08090	11.4
282.08633	7.3
283.05920	7.8
283.09509	8.2
285.07590	22.6
285.10724	5.5
293.08026	11.2
295.06046	4.9
296.06866	11.3
297.11209	13.7
299.05600	7.8
301.07062	8.9
309.11069	5.2
310.08261	16.4
311.09085	41.4
313.06964	13.0
313.10718	14.0
314.07706	7.1
325.10712	34.8
328.09396	13.5
329.09686	6.7
330.10849	7.8
341.10172	85.5
342.10422	10.6
343.11740	43.3
344.11923	6.0
357.13266	20.3
357.36920	5.5
367.11780	21.1
385.12766	63.3
403.13898	5.7
503.15314	8.3
547.18256	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14861	0.6
55.01860	1.8
65.03937	2.1
67.05481	0.8
69.03413	1.3
71.31456	1.1
77.14487	0.8
79.05490	1.8
81.03406	2.4
85.02898	2.4
85.80103	0.7
91.05488	4.7
93.03390	0.8
94.04195	1.2
95.04957	2.2
97.06545	1.0
103.05468	20.0
105.03403	1.0
105.07021	2.8
107.04942	3.8
108.02082	1.5
109.06586	1.5
110.03687	0.8
115.05449	3.4
117.07019	3.0
118.04152	2.9
119.04942	5.6
122.03638	4.4
123.04399	3.0
124.05193	1.0
125.05975	2.5
129.06992	2.2
130.04155	0.8
131.04927	33.2
132.05368	0.9
133.02872	4.5
133.06468	3.0
135.04417	1.3
135.08044	2.5
137.05971	70.4
138.06311	2.0
141.05450	1.4
143.04942	2.4
145.06523	5.2
146.03658	1.1
147.04405	4.7
147.08051	1.0
148.05183	9.8
149.05902	1.5
151.03909	80.5
151.04996	5.6
151.07532	2.7
152.04288	2.5
153.05452	3.2
155.04880	0.9
157.06401	1.3
159.04396	0.8
160.05164	1.9
161.05960	3.9
162.06657	1.4
163.07538	21.9
163.43298	1.0
165.05447	4.4
167.07053	11.4
171.04410	1.1
173.05984	3.4
174.06799	1.2
175.07507	9.8
176.04749	1.7
177.05434	3.4
177.09171	1.2
179.07085	5.8
179.08392	1.1
181.04950	22.2
181.08440	1.1
187.07530	4.1
189.09100	2.0
190.06174	1.5
191.07027	100.0
192.07350	3.5
193.08659	1.6
195.06470	1.2
199.07732	0.7
201.09018	1.1
203.07047	4.1
205.06816	1.0
205.08640	4.4
207.08168	1.2
207.10170	1.4
209.08047	4.2
215.06876	1.4
217.08649	2.7
219.10155	1.8
221.07979	1.4
223.09732	2.0
231.06538	1.3
233.08096	4.2
235.07547	1.3
235.09566	4.4
237.09161	1.3
245.08109	1.0
247.07765	0.9
249.09091	1.5
263.09186	20.3
264.09579	1.3
265.08640	2.0
267.10190	1.7
277.08496	2.6
281.11633	0.9
283.09399	0.7
293.07834	1.2
295.09451	0.9
297.10962	1.4
299.09140	1.2
299.12735	1.2
307.09628	1.6
309.11304	1.6
322.08826	0.8
325.10529	1.8
327.12256	3.1
329.13742	1.9
337.06784	0.8
337.10748	2.4
339.12125	1.0
341.13614	0.9
351.12250	1.9
355.11780	11.8
356.12067	0.8
357.13354	1.4
359.14856	1.7
369.13293	5.8
383.14539	0.8
387.14362	47.4
388.14633	4.0
413.15863	1.0
517.18835	1.7
519.20892	0.9
549.21063	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
65.03935	1.8
67.05503	1.1
69.03410	1.7
69.15808	5.5
72.42993	0.7
79.05475	2.5
81.03412	2.0
81.07041	0.9
85.02921	4.1
91.05461	4.4
93.03429	0.8
94.04169	1.9
95.04963	2.4
97.02850	1.2
103.05476	17.5
105.03393	0.9
105.07030	1.7
107.04931	2.8
108.02100	1.0
109.06498	0.8
109.10043	0.7
111.04422	1.4
115.05449	3.5
117.06985	3.4
118.04157	3.7
119.04959	5.8
121.06515	1.3
122.03651	4.6
123.04405	2.6
125.05974	2.5
128.06172	0.9
129.07008	2.0
130.04150	0.9
131.04926	29.7
132.05745	1.4
133.02838	5.0
133.06509	3.7
135.04427	1.1
135.08047	2.3
137.05974	64.9
137.86433	0.7
138.06317	2.2
141.05437	1.4
143.04924	2.4
145.06471	3.4
145.80757	0.8
147.04395	6.3
147.08069	1.1
148.05186	8.5
149.05983	2.3
151.03908	76.4
151.04993	5.1
151.07509	2.1
152.04236	1.9
153.05476	1.8
157.06508	1.6
159.04410	1.3
160.05185	1.8
161.05969	4.1
162.06749	0.9
163.07536	21.7
164.07938	0.8
165.05458	4.1
165.09212	0.8
167.07043	10.8
171.04497	1.1
171.06499	0.7
173.05957	3.7
174.06793	0.9
175.07588	8.0
176.04680	3.3
177.05478	2.4
177.09102	1.4
179.07028	5.5
181.04964	19.3
187.07570	3.3
189.05498	1.5
189.09062	2.1
190.06223	1.5
191.07024	100.0
192.07413	3.7
193.04973	1.2
193.08614	2.4
201.05531	1.3
201.09093	0.9
203.06989	5.7
205.06598	1.4
205.08604	4.9
207.06425	0.9
207.08162	0.9
207.10092	1.1
209.08099	4.8
215.07002	0.9
217.08597	1.8
219.10112	1.6
223.07582	1.0
223.09502	1.2
227.06883	0.8
231.06480	1.3
233.08015	4.6
235.07588	1.2
235.09645	4.0
237.09096	1.9
239.06778	0.7
241.08405	0.9
245.07988	0.9
249.09074	2.2
251.06749	0.8
259.09613	1.0
262.06418	0.8
263.09152	21.4
265.08582	1.9
267.10275	1.8
277.08618	1.8
291.10211	0.7
293.07919	1.3
295.09619	1.8
297.11301	0.9
307.09650	1.2
309.11301	0.8
325.10733	1.2
327.12146	3.4
329.13852	1.5
337.10522	0.9
339.12170	1.5
341.13776	0.8
351.12201	1.6
353.13867	0.9
355.11810	10.4
355.15878	1.4
357.13196	1.1
359.14963	2.2
365.13800	1.4
369.13260	4.7
384.03659	0.8
387.14365	47.2
387.86203	0.7
388.14798	3.5
413.16238	1.1
517.18231	1.9
549.20996	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
65.03944	2.6
67.05491	1.0
68.42664	1.0
69.03426	4.9
69.40901	2.5
69.41309	4.0
76.53633	1.2
79.05528	1.3
81.03422	3.2
85.02902	5.3
91.05489	5.1
94.04166	1.8
95.04964	2.7
97.02880	2.1
98.22667	1.9
103.05468	27.6
105.03429	1.2
105.07049	3.0
107.04967	3.8
109.06532	1.5
111.04444	1.8
115.05463	4.1
117.07031	4.7
118.04176	2.6
119.04966	5.6
122.03658	5.2
123.04339	2.1
125.06020	2.8
127.03924	2.6
129.07016	1.7
131.04929	46.2
133.02892	2.4
133.06529	4.1
135.08026	2.3
137.05978	100.0
138.06337	3.7
143.04980	2.7
145.04926	1.2
145.06476	6.0
146.03673	1.7
147.04460	7.8
148.03418	1.1
148.05154	9.2
149.05995	3.2
151.03914	70.6
151.04961	4.1
151.07559	5.3
152.04224	2.1
153.05507	3.4
157.06520	1.6
158.65529	1.2
159.04506	1.3
160.05232	1.8
161.06001	5.0
162.06793	1.6
163.07544	46.2
164.07954	1.1
165.05524	4.3
165.09067	1.5
167.07066	10.2
173.05974	4.7
175.07565	11.9
176.04610	2.3
177.05455	4.9
177.09119	1.4
179.07059	10.1
181.04974	23.2
181.06416	1.9
183.04469	1.5
187.07602	4.6
189.09137	4.3
190.06316	2.7
191.07031	80.3
192.07458	3.8
193.08585	2.0
193.20218	1.2
203.07074	6.2
205.08589	8.7
206.08954	1.2
207.08109	1.2
209.08029	1.7
217.06667	1.2
217.08633	4.6
220.91664	1.2
221.08086	2.0
223.09708	2.1
233.08073	3.8
235.09592	7.4
237.09146	1.8
246.91185	1.1
252.07393	1.2
263.09149	17.0
265.10822	2.5
267.10266	1.9
269.04550	1.2
277.08545	2.5
327.12231	2.8
337.10773	2.2
339.12146	2.0
341.13501	1.6
355.11816	7.0
357.13339	1.8
359.14835	2.6
369.13330	4.1
385.16541	1.7
387.14380	39.0
388.14651	3.7
517.18665	7.5
521.21747	1.7
549.21204	4.2
764.18896	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
55.05517	3.5
67.05505	1.0
68.99789	1.0
69.03418	3.1
71.30972	0.8
74.00269	0.5
81.03413	3.3
81.07055	1.0
83.04617	0.5
83.05000	5.1
85.02893	5.0
86.09699	0.7
91.05473	1.0
93.07053	0.9
95.04939	0.9
95.08595	0.8
97.02894	2.5
99.04450	0.7
105.07040	0.9
109.02899	1.7
117.07033	0.7
117.24482	0.5
127.03912	2.9
131.04944	0.7
138.89372	0.5
139.03900	1.9
152.06158	0.6
159.04369	0.7
165.05588	0.9
165.07016	1.9
166.07703	0.5
167.08582	2.4
177.07011	1.2
178.07758	0.9
179.08562	1.6
180.02951	0.6
180.21819	0.5
181.06471	2.3
182.07076	0.7
183.08098	1.7
184.07434	0.9
187.06007	1.4
191.06973	1.3
192.05695	0.6
193.06503	1.2
194.07326	1.0
195.08031	5.6
196.08821	1.0
197.06020	1.9
197.09674	1.6
205.06506	7.0
205.08340	0.9
206.07248	0.7
207.08105	3.0
208.05167	1.1
209.05994	1.8
209.09541	0.9
210.06741	3.4
211.07594	3.3
211.11201	0.6
212.08241	0.8
213.05522	0.8
216.04266	1.0
216.68738	0.6
220.05103	0.5
221.05945	3.8
222.06734	1.4
223.07573	9.1
224.04671	1.5
224.08327	4.2
225.05522	2.1
225.09038	4.2
226.06216	2.4
227.07147	3.0
227.08961	0.9
229.08540	0.7
233.05981	4.2
234.06740	1.0
235.07568	3.1
236.04707	2.8
236.08321	0.8
237.05460	3.2
237.09152	0.8
238.06223	5.1
239.07039	3.7
239.10602	3.1
240.04156	1.1
240.07806	0.9
241.04822	0.8
241.08569	3.1
245.10237	0.8
249.05519	3.9
250.06248	2.3
251.07036	20.4
252.04056	0.7
252.05382	0.6
252.07744	4.7
253.04987	2.3
253.08572	12.9
254.05753	3.1
254.08891	1.3
255.06482	2.8
255.10182	0.8
261.05435	0.7
262.06250	1.1
263.07135	2.9
264.04248	0.8
264.07922	0.7
265.04913	3.3
265.08350	1.3
266.05713	4.2
266.08997	0.9
267.06500	4.1
267.10010	3.4
267.15869	0.8
268.04236	0.8
268.07214	4.6
269.08127	1.3
270.05209	1.6
270.08813	2.0
271.06027	2.2
277.04971	1.8
277.08539	1.3
278.05676	2.7
279.06522	33.8
280.07089	5.6
281.04642	1.2
281.08063	25.1
282.05487	1.1
282.08694	3.8
283.06036	4.7
283.09634	5.7
284.06772	1.2
285.04745	0.7
285.07562	3.9
285.10751	1.0
286.04672	5.3
291.06458	2.0
292.07190	2.7
293.04489	1.5
293.08014	2.0
294.05231	2.4
294.08795	1.5
295.05994	3.9
295.09650	6.0
296.06796	4.6
296.09924	0.9
297.07578	2.7
297.11160	2.5
298.04691	0.8
298.08304	2.0
299.05429	2.7
299.08936	1.2
300.06277	5.1
301.07028	7.5
302.07532	0.8
307.09677	2.4
308.06802	2.1
309.07568	10.9
310.08200	4.1
311.05774	1.1
311.09100	25.3
312.06262	1.3
312.09766	3.0
313.07010	8.6
313.10699	6.0
314.07803	2.9
315.08600	8.1
321.07376	1.0
323.09201	2.5
325.10675	28.1
326.04214	0.6
326.07822	7.7
326.11206	1.3
327.08649	4.1
327.12112	1.1
328.09399	15.0
329.10040	2.1
335.09082	4.4
337.07101	1.1
341.10190	100.0
342.10522	7.3
343.11752	38.4
344.12115	1.9
345.09525	3.2
352.09406	1.3
353.10181	6.5
354.10568	0.9
355.11700	1.7
356.08847	3.8
357.13232	2.4
367.11798	6.0
370.10645	0.9
385.12808	41.8
386.13293	3.6
487.16946	0.7
503.15472	37.5
504.15976	3.3
764.40002	1.6
765.38727	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.3
56.05035	0.5
57.03440	0.2
57.07065	0.2
58.06633	0.5
60.08166	5.5
67.05509	0.6
69.07068	0.3
69.91123	0.5
71.07373	3.0
79.05503	0.4
80.97451	0.1
81.03419	0.8
81.07062	0.7
83.04974	0.3
83.08618	0.3
84.82461	0.1
85.06540	0.1
86.09707	27.1
87.10049	0.6
91.05484	0.7
93.07056	0.6
95.04957	0.3
95.08607	0.5
97.02888	0.1
97.06531	0.1
97.10204	0.2
98.22881	0.2
98.98460	3.2
104.10742	2.0
105.07040	0.6
107.08588	0.4
109.10157	0.2
119.08566	0.4
121.06503	0.1
121.10146	0.4
125.00004	18.2
126.00364	0.1
129.07007	0.2
131.08568	0.3
133.06488	0.1
133.10112	0.4
135.11711	0.3
143.01093	0.2
145.10136	0.3
147.11693	0.2
157.10083	0.2
159.11745	0.2
184.07341	100.0
185.07693	1.8
193.12190	0.2
203.17969	0.2
221.13177	0.1
267.15887	0.4
311.25760	0.2
339.28827	0.3
450.22385	0.2
503.37344	0.2
505.38882	0.2
507.40073	0.1
509.25409	0.2
531.39966	0.4
576.54688	0.1
623.58856	0.1
714.46967	4.7
715.46515	0.5
718.41998	0.2
764.41840	0.6
765.42993	0.6
799.81488	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
64.42449	0.5
69.44636	0.5
69.54523	0.8
69.54927	1.7
71.31593	0.5
75.39227	0.5
98.23347	0.7
109.02676	0.7
137.05952	0.8
179.06856	0.6
185.04321	0.5
195.06413	0.5
242.15453	1.3
249.10909	2.2
257.06403	0.8
271.07959	2.0
276.95764	0.4
341.12265	1.4
393.15170	0.6
397.37289	0.5
403.33710	0.5
403.75784	0.5
411.16010	2.4
425.17816	0.6
483.23584	1.1
502.89648	0.5
511.23087	1.3
529.24139	2.4
539.23047	0.7
541.24084	1.8
557.23761	2.2
571.25378	0.7
585.23273	1.1
603.24109	18.5
604.24506	1.4
645.25812	2.0
673.28192	0.9
675.27765	0.9
691.29181	4.7
703.29340	1.6
719.29053	2.3
747.28278	1.5
765.29315	100.0
766.29657	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68662	0.4
57.97667	0.4
64.76424	0.3
69.09628	2.1
69.10036	1.2
80.02323	0.4
80.40841	0.4
97.69182	0.4
108.81182	0.4
109.02523	0.5
117.21479	0.4
137.05878	0.4
152.04346	0.6
153.05177	0.6
167.06941	0.7
169.25443	0.5
169.26767	0.4
179.06723	0.8
249.10924	2.3
250.11609	0.6
251.72218	0.4
271.07883	2.4
341.12021	0.8
411.16180	2.3
483.23456	1.7
493.22122	0.6
511.22968	1.4
529.24011	1.6
539.22168	0.6
541.24005	1.9
557.23535	3.0
559.25195	0.9
571.25397	0.5
575.24371	1.0
585.23114	4.2
599.24615	0.5
603.24072	82.9
604.24371	10.1
645.25885	1.6
673.28601	1.4
691.29437	3.1
703.29199	0.9
719.28973	1.4
765.29309	100.0
766.29663	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27554	0.6
69.04517	2.2
69.04948	3.4
80.02330	1.7
100.11210	1.0
109.02548	2.4
111.04329	1.1
121.02786	0.8
122.07006	0.7
135.10774	0.6
137.05856	0.8
152.04337	1.7
153.05338	1.3
160.94662	0.6
167.06854	0.7
169.25388	0.7
179.06683	2.3
182.15428	0.9
188.04376	0.6
249.10989	6.3
250.11600	1.4
253.08543	0.9
263.12476	1.2
276.86520	0.6
309.11252	0.9
313.10727	1.2
315.15479	0.8
327.12137	2.0
343.14853	1.1
359.14871	10.0
371.15070	0.9
463.75452	0.6
483.23492	1.2
493.22189	1.0
511.23022	5.7
512.23145	1.6
513.20789	2.6
523.22784	0.7
529.24133	25.0
530.24591	3.0
536.09204	0.6
539.22473	2.2
541.24054	6.3
557.23676	14.5
558.23621	1.8
559.24847	2.2
585.22925	2.5
603.24103	100.0
604.24500	12.7
691.27106	0.7
765.29279	94.0
765.58527	2.4
766.29517	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93568	0.4
55.01858	0.5
55.05504	2.0
57.03437	1.9
61.02923	6.2
65.03910	0.6
67.05509	5.1
69.03436	3.4
69.07076	2.4
70.78146	0.5
71.04989	0.9
71.30587	0.5
73.02915	3.4
79.05485	4.2
81.03413	3.8
81.07058	5.7
81.27101	0.4
81.90689	0.4
83.04984	1.5
83.08638	0.8
83.45673	0.5
88.86378	0.4
89.89314	0.5
90.02998	0.4
91.03954	2.8
91.05473	3.4
93.07045	4.8
95.04984	2.0
95.08598	4.6
97.02893	5.3
97.06523	1.1
99.04466	1.1
101.02386	1.7
103.30842	0.6
105.07024	3.1
107.01836	0.4
107.08601	3.2
109.02886	1.4
109.06565	0.8
109.10196	1.4
115.03905	0.5
117.07011	0.8
119.08573	2.5
121.06476	0.7
121.10145	3.0
123.11741	0.6
127.03931	1.4
128.06160	0.5
129.07042	0.8
131.08559	2.9
133.10162	2.0
135.11656	0.7
139.11227	0.8
142.07875	0.5
143.47290	0.5
145.10164	1.4
147.11705	1.6
149.09653	1.0
149.13280	0.5
157.10141	1.1
158.05472	0.4
159.11664	0.9
161.13327	0.8
169.38902	0.4
175.11163	0.7
184.07353	1.7
243.08499	1.7
251.12546	0.8
253.61037	0.6
269.13702	1.3
301.61685	0.4
335.25629	0.5
443.18930	3.1
469.20471	2.7
487.21463	5.2
519.29364	5.9
591.31506	0.5
599.49872	0.5
721.41479	0.7
747.42896	4.9
765.43848	100.0
766.44165	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
55.05511	1.8
57.03439	2.3
60.08168	1.4
61.02927	7.7
67.05511	5.0
69.03428	3.7
69.07082	2.1
69.51500	1.5
69.51902	0.8
71.01359	0.9
71.04999	0.9
71.07375	0.9
73.02919	4.8
73.06520	0.4
79.05500	4.6
81.03424	4.7
81.07059	5.5
83.04977	0.8
83.08622	0.9
86.09710	7.0
87.10048	1.3
91.03956	4.8
91.05473	3.5
93.07043	5.5
95.04972	1.5
95.08614	5.7
97.02901	6.2
97.06544	0.5
97.10159	0.5
98.98492	0.9
99.04473	1.2
101.02380	2.5
102.15886	0.4
104.10758	0.6
105.07038	2.1
105.43268	0.4
107.08614	2.8
109.02928	0.7
109.10171	2.0
113.06133	0.5
117.07053	0.5
119.08597	1.5
121.10137	3.5
123.11731	0.7
125.00008	4.8
127.03931	1.9
129.07005	0.8
131.08609	1.5
133.10162	1.7
135.11734	1.4
139.24091	0.4
145.10193	0.6
147.11699	0.9
149.09647	1.1
155.08635	0.4
157.10178	1.0
161.13232	0.5
173.13281	0.6
184.07352	22.4
185.04272	1.1
185.07732	4.0
193.12291	1.0
235.99567	0.4
238.40390	0.5
243.08363	3.1
251.12579	0.8
261.82043	0.4
269.13687	2.2
279.16623	0.4
320.54358	0.4
335.25995	0.5
425.18185	0.5
443.18829	4.7
444.19312	0.6
469.20651	1.8
487.21606	3.7
519.29260	8.9
520.29846	0.6
591.31458	0.5
603.38385	0.5
675.44537	1.7
721.41217	1.6
747.43036	3.3
765.43878	100.0
766.44263	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.2
57.03442	2.0
57.07062	1.3
61.02916	5.5
67.05504	7.1
69.03432	2.6
69.07078	2.6
69.07385	9.4
71.04996	4.7
73.02924	3.1
73.51443	0.9
79.05505	2.6
81.03443	2.3
81.07063	8.4
83.05013	1.3
83.08623	2.3
91.03970	3.9
91.05502	3.9
93.07055	4.2
95.04993	1.6
95.08606	5.1
97.02900	5.2
99.04463	0.9
101.02382	2.4
105.07037	2.7
107.08608	2.2
109.02886	1.2
109.10168	2.9
113.88038	0.9
119.08645	1.3
121.10172	2.6
123.11716	2.1
127.03917	2.0
133.10165	2.4
135.11728	1.8
136.74399	0.9
145.10046	1.3
151.11238	1.2
173.58096	1.0
184.07356	1.6
194.18825	1.1
195.00328	1.7
243.08359	2.0
267.15796	1.8
328.89972	1.0
339.54593	1.2
385.16592	1.1
485.23657	8.8
521.30835	5.2
649.44470	3.4
667.45587	3.0
726.39563	1.0
747.42169	1.7
765.47571	100.0
766.48132	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
58.59362	0.3
62.06300	0.3
65.03942	4.5
67.05498	1.0
69.03418	0.5
69.67629	1.5
79.05482	0.6
82.04185	0.9
83.37379	0.3
85.02911	1.1
91.05476	1.8
93.03403	3.1
93.07065	0.3
94.04194	0.3
95.01348	0.6
95.04961	0.8
97.06519	0.4
103.05492	0.7
105.07051	0.6
107.04942	1.5
109.29971	0.4
110.03660	3.1
111.04444	4.5
113.90921	0.3
115.05486	0.6
119.04942	1.6
121.02879	4.1
121.06515	1.1
123.04442	0.5
125.05988	6.7
129.06998	0.8
131.04921	1.2
133.02863	3.0
133.06564	0.5
135.04408	0.6
135.08003	0.5
137.05975	4.3
137.65192	0.4
138.03162	0.6
145.06482	0.7
147.04408	1.9
147.08063	0.7
149.02333	1.4
149.05991	1.1
151.03889	0.7
151.07562	2.3
153.04256	0.7
153.05467	12.8
157.06506	0.8
159.08026	0.7
161.05980	2.0
161.09634	1.0
162.06674	0.7
163.07527	1.1
165.05489	1.2
165.07005	0.9
167.07043	2.6
167.08447	0.7
169.06479	0.6
173.05869	0.4
174.06772	1.0
175.07553	1.5
177.05492	0.7
178.07768	0.7
179.06966	1.0
179.08467	0.6
181.04930	1.0
181.06445	0.8
181.08589	0.7
182.07373	0.7
183.08109	0.5
184.05255	0.5
187.07471	0.6
188.08331	0.8
189.05476	0.4
189.09077	2.7
190.07787	0.5
191.07008	0.8
191.08545	0.4
192.09227	0.4
193.06532	0.5
193.08562	0.7
194.07248	0.6
195.08028	1.8
197.09605	0.6
201.05450	0.4
203.08589	0.5
206.07317	0.5
207.08231	0.5
209.07921	0.5
210.06778	1.2
211.07549	1.4
212.08261	0.7
213.08992	0.5
219.08176	0.7
219.10205	1.8
219.12144	0.4
221.05998	1.1
221.09631	1.5
222.06714	0.6
222.10411	1.0
223.07495	2.5
223.11148	0.8
224.08229	1.3
225.05499	0.5
225.09091	2.6
226.06366	0.8
226.09978	0.4
227.07057	1.3
227.10658	0.7
234.06718	0.8
235.07417	0.9
236.08252	0.5
237.09097	1.9
238.06235	1.3
238.09879	1.7
239.06953	1.9
239.10677	1.1
240.07793	4.7
241.08563	1.4
248.08408	0.6
249.05418	0.5
249.09113	1.8
249.11362	0.9
250.09843	0.7
251.07071	1.2
251.10638	0.6
252.07767	1.5
253.08618	9.5
253.12239	4.4
254.09264	1.6
255.06543	1.3
255.10190	2.9
257.08078	1.4
257.11591	0.6
264.07816	0.5
265.08527	1.8
266.05746	0.5
266.09372	2.8
267.06491	0.8
267.10199	2.6
268.07294	1.6
269.08087	2.4
269.10962	0.4
270.08807	1.7
271.13171	0.5
277.08624	1.6
278.09448	0.6
279.10068	0.9
280.07394	0.5
280.10464	0.4
281.08118	3.0
281.11752	4.0
282.08838	1.5
282.11969	0.6
283.06451	0.5
283.09668	4.4
283.12955	0.7
284.10260	2.2
285.08087	0.8
285.11230	2.1
285.14868	1.0
294.08826	1.0
295.09662	2.8
296.10257	1.1
297.07568	0.5
297.11188	1.0
298.08444	0.6
298.11929	1.5
299.12717	5.0
300.09900	1.4
309.11224	5.1
310.11899	1.7
311.09323	0.5
311.12662	1.1
312.09793	0.5
313.10687	6.7
313.14355	3.5
314.11014	0.9
326.11432	0.6
327.12259	17.8
328.12830	3.0
329.13760	2.3
331.15451	2.2
339.12262	2.4
340.12781	0.5
341.13846	2.7
342.14264	0.4
343.15350	1.2
345.16931	1.0
357.13315	1.3
359.14877	100.0
360.15186	7.8
361.16464	2.7
371.14883	10.9
372.15213	1.2
389.16016	4.8
491.20657	1.0
509.21524	1.7
540.73181	0.4
603.23431	0.4
604.24164	3.1
696.40924	0.4
766.29034	3.1
767.28333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
58.59362	0.3
62.06300	0.3
65.03942	4.5
67.05498	1.0
69.03418	0.5
69.67629	1.5
79.05482	0.6
82.04185	0.9
83.37379	0.3
85.02911	1.1
91.05476	1.8
93.03403	3.1
93.07065	0.3
94.04194	0.3
95.01348	0.6
95.04961	0.8
97.06519	0.4
103.05492	0.7
105.07051	0.6
107.04942	1.5
109.29971	0.4
110.03660	3.1
111.04444	4.5
113.90921	0.3
115.05486	0.6
119.04942	1.6
121.02879	4.1
121.06515	1.1
123.04442	0.5
125.05988	6.7
129.06998	0.8
131.04921	1.2
133.02863	3.0
133.06564	0.5
135.04408	0.6
135.08003	0.5
137.05975	4.3
137.65192	0.4
138.03162	0.6
145.06482	0.7
147.04408	1.9
147.08063	0.7
149.02333	1.4
149.05991	1.1
151.03889	0.7
151.07562	2.3
153.04256	0.7
153.05467	12.8
157.06506	0.8
159.08026	0.7
161.05980	2.0
161.09634	1.0
162.06674	0.7
163.07527	1.1
165.05489	1.2
165.07005	0.9
167.07043	2.6
167.08447	0.7
169.06479	0.6
173.05869	0.4
174.06772	1.0
175.07553	1.5
177.05492	0.7
178.07768	0.7
179.06966	1.0
179.08467	0.6
181.04930	1.0
181.06445	0.8
181.08589	0.7
182.07373	0.7
183.08109	0.5
184.05255	0.5
187.07471	0.6
188.08331	0.8
189.05476	0.4
189.09077	2.7
190.07787	0.5
191.07008	0.8
191.08545	0.4
192.09227	0.4
193.06532	0.5
193.08562	0.7
194.07248	0.6
195.08028	1.8
197.09605	0.6
201.05450	0.4
203.08589	0.5
206.07317	0.5
207.08231	0.5
209.07921	0.5
210.06778	1.2
211.07549	1.4
212.08261	0.7
213.08992	0.5
219.08176	0.7
219.10205	1.8
219.12144	0.4
221.05998	1.1
221.09631	1.5
222.06714	0.6
222.10411	1.0
223.07495	2.5
223.11148	0.8
224.08229	1.3
225.05499	0.5
225.09091	2.6
226.06366	0.8
226.09978	0.4
227.07057	1.3
227.10658	0.7
234.06718	0.8
235.07417	0.9
236.08252	0.5
237.09097	1.9
238.06235	1.3
238.09879	1.7
239.06953	1.9
239.10677	1.1
240.07793	4.7
241.08563	1.4
248.08408	0.6
249.05418	0.5
249.09113	1.8
249.11362	0.9
250.09843	0.7
251.07071	1.2
251.10638	0.6
252.07767	1.5
253.08618	9.5
253.12239	4.4
254.09264	1.6
255.06543	1.3
255.10190	2.9
257.08078	1.4
257.11591	0.6
264.07816	0.5
265.08527	1.8
266.05746	0.5
266.09372	2.8
267.06491	0.8
267.10199	2.6
268.07294	1.6
269.08087	2.4
269.10962	0.4
270.08807	1.7
271.13171	0.5
277.08624	1.6
278.09448	0.6
279.10068	0.9
280.07394	0.5
280.10464	0.4
281.08118	3.0
281.11752	4.0
282.08838	1.5
282.11969	0.6
283.06451	0.5
283.09668	4.4
283.12955	0.7
284.10260	2.2
285.08087	0.8
285.11230	2.1
285.14868	1.0
294.08826	1.0
295.09662	2.8
296.10257	1.1
297.07568	0.5
297.11188	1.0
298.08444	0.6
298.11929	1.5
299.12717	5.0
300.09900	1.4
309.11224	5.1
310.11899	1.7
311.09323	0.5
311.12662	1.1
312.09793	0.5
313.10687	6.7
313.14355	3.5
314.11014	0.9
326.11432	0.6
327.12259	17.8
328.12830	3.0
329.13760	2.3
331.15451	2.2
339.12262	2.4
340.12781	0.5
341.13846	2.7
342.14264	0.4
343.15350	1.2
345.16931	1.0
357.13315	1.3
359.14877	100.0
360.15186	7.8
361.16464	2.7
371.14883	10.9
372.15213	1.2
389.16016	4.8
491.20657	1.0
509.21524	1.7
540.73181	0.4
603.23431	0.4
604.24164	3.1
696.40924	0.4
766.29034	3.1
767.28333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29013	0.5
55.05510	0.8
57.07068	0.7
67.05508	1.1
69.07068	1.0
70.58187	1.4
74.97398	0.6
80.23099	0.6
81.07072	3.2
83.04991	5.6
91.05495	2.6
93.07028	2.3
95.04956	1.3
95.08607	1.7
103.05468	40.5
104.05796	1.0
105.04474	0.7
105.07040	2.9
107.08542	0.9
109.10142	1.4
117.07026	2.0
119.08604	1.7
120.60362	0.5
121.10154	2.1
123.11778	1.2
125.26350	0.5
128.06198	0.7
129.06981	1.2
131.04927	100.0
131.08578	1.5
132.05231	3.5
133.06532	0.5
133.10112	1.1
137.13251	0.8
143.08640	1.2
145.10121	2.2
147.11685	1.2
149.13185	0.7
157.10124	1.3
159.11673	1.8
169.10069	0.8
171.11676	0.8
179.08554	0.8
181.10095	1.1
183.11670	0.8
185.13278	1.1
187.11047	0.5
193.10220	0.7
195.00365	0.7
197.09758	0.6
201.16432	1.1
203.17961	5.5
205.19490	1.2
211.14915	0.5
214.16939	0.6
219.10060	0.8
223.00146	0.6
223.10945	0.5
227.07137	0.6
229.08447	0.9
243.06488	0.9
249.09024	0.7
251.02335	0.6
253.08701	0.6
254.09320	0.8
255.06758	0.6
255.10188	0.6
257.07837	0.6
258.09177	0.6
263.10492	1.1
265.08926	0.6
267.06528	1.3
268.07092	0.7
269.08093	1.0
270.08823	0.7
271.06119	0.7
271.09427	1.0
274.08252	0.7
277.08755	0.6
277.12073	0.7
277.15863	0.5
278.12961	0.9
279.10187	1.9
279.13382	0.5
280.10904	1.1
281.08044	1.1
282.08923	2.1
283.09644	0.9
284.06946	0.7
284.10367	0.7
285.07788	1.2
285.11118	1.1
287.09055	1.0
291.10178	0.9
292.10938	1.1
293.11911	0.9
294.12421	0.7
295.13202	3.1
296.10498	2.0
297.07773	0.8
298.08337	1.5
299.09192	2.3
300.09583	0.7
301.07303	0.6
301.10767	1.8
303.08716	0.8
305.22635	11.9
306.12369	1.5
307.09747	1.1
307.13086	0.8
308.10205	1.0
309.11221	1.2
309.14880	2.4
311.09222	0.7
311.12674	0.8
311.16577	0.6
312.10071	1.2
313.10699	3.5
314.11499	1.6
315.21094	1.4
317.10141	2.6
318.10873	4.4
322.11975	0.7
323.12784	6.6
324.13419	1.9
325.21561	0.6
326.14908	0.7
327.12421	2.6
328.12909	2.3
330.10916	0.9
331.11703	1.5
332.12509	5.6
333.13080	2.1
333.22156	8.0
334.22632	1.0
337.14340	9.7
338.14917	4.7
339.12189	2.1
339.15985	2.1
340.12885	0.9
341.17557	2.6
345.13489	2.8
354.14719	0.9
355.15326	5.3
359.14798	2.7
369.16974	14.4
369.21393	1.0
370.17691	10.7
371.14499	1.2
371.18579	1.0
386.17078	2.8
401.19577	76.0
402.19830	7.4
407.25912	4.2
425.26602	1.5
531.23755	9.9
532.24249	1.2
713.82983	0.7
768.50275	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79559	0.6
55.05506	2.2
59.88407	0.5
67.05499	1.5
69.07072	1.4
69.09162	0.6
73.69164	0.6
77.03918	0.7
78.23494	0.6
79.05487	1.4
81.07063	4.2
83.04980	7.4
91.05496	2.4
93.07047	2.2
95.04957	1.5
95.08622	2.8
102.75076	0.6
103.05471	41.8
104.05740	1.0
105.07027	3.4
107.08580	1.9
109.06517	0.6
109.10149	2.5
117.07009	2.4
119.08595	2.9
121.10137	3.9
123.11726	1.6
131.04929	100.0
131.08546	1.6
132.05266	2.5
133.10077	1.4
139.07520	0.8
141.06908	0.9
143.08476	1.4
145.10114	3.0
147.11679	0.9
149.13248	1.0
157.10109	1.8
159.11688	2.8
161.13280	0.7
169.10133	1.4
171.11685	0.8
173.13344	0.6
181.10083	0.9
184.07370	1.7
185.13211	0.8
199.14998	0.7
201.16417	1.3
203.17970	4.6
205.19511	2.0
211.07639	0.9
227.07059	0.7
233.09607	0.9
239.06795	0.7
241.08807	0.9
243.06668	0.9
253.08527	1.4
255.06621	1.2
255.09996	0.6
256.07297	0.7
257.07977	0.8
259.14496	0.7
263.10767	1.5
264.11484	0.8
267.06543	2.1
267.10150	0.8
269.08258	1.1
269.17493	0.9
270.05396	0.7
270.08691	1.3
271.09732	0.8
277.12134	1.1
279.10193	1.6
280.10928	0.6
281.07962	1.8
282.08914	2.2
285.07635	1.5
285.11151	1.1
286.08255	1.2
287.09146	1.4
291.10159	1.4
292.10944	1.0
293.11496	1.0
294.12338	1.7
295.10095	0.9
295.13132	3.4
296.10455	2.3
297.07809	0.9
297.10959	0.9
298.08435	2.2
299.08972	2.9
301.10666	1.7
303.08603	1.3
305.22607	7.4
306.12585	1.9
307.09631	2.3
307.13104	1.2
308.10464	1.3
309.11194	1.6
309.14859	2.6
310.15506	0.9
311.09149	1.3
311.12698	1.1
312.09952	1.6
313.10718	4.7
313.27399	0.7
314.11349	2.7
315.21091	1.6
317.10266	5.1
318.11005	5.9
322.11948	1.3
323.12704	7.2
324.13364	1.7
326.15338	1.0
327.12320	4.6
327.15781	1.0
328.13004	2.9
329.09988	0.9
330.10892	1.3
331.11765	1.5
332.12479	7.8
333.13077	2.0
333.22009	6.1
337.14310	9.7
338.15067	6.3
339.12253	2.8
339.15952	2.2
340.12848	1.5
341.17633	3.0
344.12625	1.2
345.13235	2.7
346.13971	0.9
352.12137	0.7
354.14597	2.2
355.15457	6.7
359.14886	3.3
369.16934	11.5
370.17743	14.3
371.14764	1.8
371.18646	0.8
372.15097	0.7
386.17166	2.4
401.19583	69.0
402.19882	6.5
407.25793	7.0
408.26245	1.1
425.26886	2.1
507.40475	1.3
531.23743	10.0
532.24005	0.9
731.84637	0.7
768.49750	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	8.4
55.05511	23.8
57.03433	6.5
63.12930	1.9
65.03922	2.3
67.05505	83.5
67.66284	2.1
69.03426	5.9
69.07072	20.7
70.64773	2.2
71.04993	6.2
77.32951	2.2
79.05494	90.4
80.05832	2.9
81.03417	13.0
81.07056	85.9
83.04985	17.0
83.08620	9.1
85.02876	2.9
85.06548	6.6
91.05479	100.0
93.07043	90.8
95.04966	27.1
95.08604	39.1
97.06531	9.1
97.10159	3.9
98.22541	4.8
105.04497	2.7
105.07028	63.3
105.07743	3.1
106.07330	2.9
107.04946	11.6
107.08599	44.5
109.02843	2.1
109.06541	11.8
109.10154	51.4
111.08089	2.9
115.05453	2.5
117.07048	14.7
119.08585	35.8
121.06506	9.6
121.10148	10.1
123.08057	10.3
123.11729	6.2
124.88303	2.3
128.06268	5.2
129.07008	19.8
131.04971	2.1
131.08562	18.3
133.06480	6.8
133.10126	65.6
134.10501	3.7
135.08064	12.1
135.11678	7.2
137.09601	4.3
142.07698	2.5
143.08595	14.8
145.06476	2.2
145.10094	14.6
147.08020	5.4
147.11687	37.2
149.09624	10.6
151.11183	22.4
151.51703	2.1
157.10153	3.6
159.08038	2.4
159.11702	4.8
161.09598	11.8
161.13203	10.7
163.11185	4.4
165.09100	2.2
169.12259	4.0
171.11702	28.8
173.13248	2.9
175.11153	5.2
177.09169	3.3
189.12843	12.6
189.14313	2.8
207.13811	24.9
215.12694	3.6
245.19019	5.4
251.12885	4.1
253.14333	97.8
254.14651	5.2
255.17429	5.9
263.20135	5.9
273.18469	39.4
274.18723	4.0
279.16101	2.3
281.17444	59.2
291.19547	45.0
309.20715	4.2
329.21014	2.3
347.22052	11.6
365.23239	33.1
475.26627	3.5
477.28436	29.5
529.38715	4.4
553.35199	15.6
557.90637	2.6
571.36273	87.8
572.36469	13.2
609.45129	4.6
609.64911	2.6
627.46515	2.9
768.43359	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.6
55.05242	1.6
55.05509	27.3
55.21518	1.2
56.66810	1.0
57.03432	4.9
57.07085	1.5
65.03931	2.6
67.05503	38.7
69.03427	7.3
69.07066	25.4
70.42078	1.1
70.65172	1.0
71.05013	1.4
71.30079	1.1
73.06548	1.4
79.05495	53.8
80.05834	1.2
81.03416	9.1
81.07057	40.9
83.04973	12.0
83.08617	10.5
85.02914	2.3
85.06518	1.7
91.05479	43.0
92.05788	1.5
93.06470	2.4
93.07044	43.5
95.04964	17.7
95.08602	22.4
97.02883	8.5
97.06519	5.0
97.10165	11.4
105.07030	32.1
107.04946	8.6
107.08588	21.0
109.06511	7.1
109.10149	10.4
111.04455	1.4
111.08104	3.6
117.07031	12.4
119.04874	1.2
119.08574	26.7
120.08904	1.3
121.06483	5.4
121.10129	6.8
123.08057	7.1
123.11705	2.0
125.09622	7.8
127.04004	1.1
128.06190	1.6
129.05507	1.3
129.07025	11.7
129.24051	1.1
131.08563	9.5
133.06468	2.7
133.10139	12.5
135.08047	2.8
135.11700	4.1
137.09586	2.2
139.11168	1.3
142.07780	1.2
143.07509	1.8
143.08522	8.9
145.06563	1.9
145.10126	12.2
147.08047	7.2
147.11678	21.5
149.09612	2.9
149.13257	1.7
155.08536	1.4
157.10118	3.2
159.08052	2.2
159.11708	5.0
161.09613	4.9
161.13252	7.5
163.11191	1.3
169.10110	2.3
171.10336	2.4
171.11688	16.5
175.11147	2.3
183.11658	2.1
185.13292	1.7
189.11261	2.6
189.12773	6.5
195.11739	1.6
195.13782	1.5
199.11272	1.8
207.11978	2.2
207.13780	13.0
223.13271	9.6
227.12721	5.0
239.17886	1.5
245.18893	1.5
249.14853	2.4
273.18448	13.5
281.17465	52.3
282.18063	3.2
291.19550	80.0
292.19904	5.5
347.22015	2.5
365.23221	32.0
433.27390	2.8
435.25278	3.9
459.25519	6.9
473.28909	3.0
477.26273	2.2
534.04596	1.4
553.35120	2.9
571.36261	100.0
572.36664	14.0
599.35724	1.4
697.44946	2.1
769.41473	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	14.9
57.07070	4.0
67.05502	6.3
69.07076	3.4
69.67076	3.6
69.67487	2.0
71.08627	2.7
79.05501	5.2
81.07053	11.4
83.04982	100.0
83.08632	2.1
84.05334	1.5
86.09662	1.0
90.75294	1.0
91.05473	5.7
93.07042	8.9
95.04951	1.5
95.08605	10.2
98.22835	2.5
105.07007	7.3
107.08598	6.1
107.65215	0.9
109.06526	1.6
109.10171	4.0
111.04472	1.0
111.08060	1.6
116.33865	0.9
117.07045	2.1
119.08576	6.8
121.06554	1.1
121.10151	5.4
121.73978	0.8
123.08071	2.6
125.09788	0.9
128.06186	1.3
129.06978	1.9
131.08571	3.4
132.98320	1.1
133.10150	3.8
135.08069	1.1
135.11705	1.9
139.07561	1.7
141.09103	1.1
142.07805	2.2
143.08562	5.0
145.06470	0.9
145.10107	4.9
147.08072	1.0
147.11703	2.0
149.13255	1.5
155.08588	2.3
157.10132	5.5
159.11720	6.1
161.07469	1.0
161.09650	3.9
161.13280	1.4
167.08775	1.0
168.09369	1.4
169.10168	3.3
171.08028	1.3
171.11690	3.6
173.13356	1.4
175.11259	1.4
182.11024	1.2
183.11697	5.3
184.07391	3.6
185.09618	1.9
185.13272	5.8
187.11247	3.5
187.14783	1.0
193.10046	1.3
195.11696	2.2
197.09705	1.5
197.13264	2.0
199.11034	1.3
201.12804	2.6
209.13234	2.1
211.11221	2.1
211.14780	1.7
213.12830	1.9
223.14857	1.9
225.12767	1.6
225.16368	1.7
227.14360	1.4
227.18260	1.4
230.65202	1.0
239.14336	1.2
239.17847	1.5
241.19620	1.1
249.16444	1.2
267.17526	3.8
269.17441	2.1
270.86768	1.1
279.17383	1.0
305.19116	1.1
313.27365	4.4
323.20178	2.8
325.21600	3.8
327.19641	1.3
351.19620	2.6
369.20529	3.2
379.26450	3.2
381.24002	1.4
383.26028	1.2
389.24695	3.0
407.25827	21.9
408.26413	1.9
425.26575	1.6
443.36081	1.0
507.40439	2.5
721.76361	1.0
757.56653	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	11.6
57.07082	1.0
67.05514	2.9
69.03413	0.6
69.07076	2.3
79.05486	2.9
81.07049	4.1
83.04982	100.0
83.08614	0.6
84.05309	1.2
87.43025	0.7
91.05490	3.1
93.07044	5.5
95.04967	1.1
95.08602	7.7
97.06525	1.0
98.22536	1.3
105.07031	5.1
107.08585	4.4
109.06506	1.2
109.10175	2.6
111.04479	1.9
111.08076	1.5
117.07026	1.1
119.08606	4.5
121.06509	0.9
121.10161	3.1
123.08089	1.4
129.07018	1.0
131.08528	3.3
133.10135	2.8
135.11700	1.0
139.07568	0.7
141.06932	0.8
143.08578	3.6
144.09280	0.7
145.10120	3.9
147.08073	1.1
147.11726	1.9
149.13249	0.8
155.08611	1.4
156.09277	0.8
157.10106	4.4
159.08115	1.2
159.11681	3.9
160.12064	0.7
161.09628	3.3
161.13295	1.3
165.34718	0.6
168.09337	0.9
169.10129	3.5
170.10815	0.8
171.11671	3.5
173.09579	0.8
173.13309	2.3
175.11263	0.8
179.94980	0.6
181.10210	1.0
183.11662	3.7
184.07384	1.9
185.09610	0.6
185.13269	5.7
187.11153	1.0
187.14832	1.2
189.12764	0.7
194.10564	0.6
195.11720	1.4
197.13322	2.1
199.11217	0.6
199.14752	0.9
201.12759	2.7
201.16321	0.7
203.14105	0.7
203.17938	0.7
207.11765	0.9
209.13268	2.0
210.45541	0.6
211.11211	2.2
211.14841	1.5
213.12784	2.0
213.16435	1.1
221.13235	0.8
223.11243	0.7
225.12695	2.2
225.16298	1.0
227.14386	2.6
239.14330	2.0
239.18010	2.1
252.15329	0.9
265.16003	1.4
267.17398	3.3
283.16815	1.3
307.20520	0.9
323.20123	2.2
325.21661	5.2
341.21194	1.8
351.19568	2.4
365.24655	0.9
367.22784	1.4
369.20547	5.9
379.26361	6.4
380.26712	0.7
381.24030	1.2
381.28323	0.8
389.24725	2.2
394.44504	0.7
407.25806	54.9
408.26007	5.4
425.26883	12.7
425.32346	1.1
426.27417	1.2
432.37918	0.6
627.46399	0.9
737.05078	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	3.2
62.06072	0.3
66.00009	0.2
69.31396	0.6
69.31805	1.1
70.06590	5.4
71.08620	1.2
85.10155	0.3
88.07629	7.8
98.22673	0.6
102.09174	2.7
104.07095	0.3
106.08668	4.8
112.93922	0.2
147.36795	0.3
162.64803	0.2
212.23775	1.0
230.24808	0.4
256.26306	3.9
257.26733	0.3
274.27393	100.0
275.27713	6.2
292.09186	0.2
532.31012	0.3
745.59180	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	3.2
62.06072	0.3
66.00009	0.2
69.31396	0.6
69.31805	1.1
70.06590	5.4
71.08620	1.2
85.10155	0.3
88.07629	7.8
98.22673	0.6
102.09174	2.7
104.07095	0.3
106.08668	4.8
112.93922	0.2
147.36795	0.3
162.64803	0.2
212.23775	1.0
230.24808	0.4
256.26306	3.9
257.26733	0.3
274.27393	100.0
275.27713	6.2
292.09186	0.2
532.31012	0.3
745.59180	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.5614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
55.05510	33.4
55.05765	2.7
57.03437	18.1
57.07076	8.9
61.02932	2.5
64.39937	1.3
65.03922	2.4
66.10163	1.4
67.05505	64.7
69.03439	2.3
69.07067	41.5
71.05001	3.8
71.08624	5.1
79.05494	38.9
81.07056	73.0
82.07388	2.1
83.04980	2.0
83.08621	23.8
85.02923	4.0
85.06542	2.5
85.10209	2.6
86.09705	5.5
91.05479	18.1
93.07041	42.9
94.07363	1.8
95.04984	2.2
95.08606	53.5
96.58283	1.2
97.02883	1.3
97.06538	5.9
97.10176	12.1
98.22870	9.3
105.07018	14.4
107.08595	29.8
107.09287	2.1
109.10161	22.7
111.08090	2.5
111.11735	2.6
115.74825	1.5
117.07021	7.2
119.08624	8.7
121.10137	28.8
123.11668	7.7
125.00005	3.7
125.09660	2.3
131.08559	7.9
133.10103	8.8
135.11691	21.5
137.13266	5.0
145.10127	5.0
147.03871	1.5
147.11723	4.6
149.13228	10.3
159.11743	5.1
161.13283	4.3
163.14848	4.6
173.13240	3.5
184.07353	15.6
187.14807	2.6
195.00293	4.7
219.21095	2.6
228.85371	1.5
237.22162	6.1
243.21072	8.7
252.04518	1.6
261.22144	30.8
311.25790	100.0
312.26187	10.1
317.24756	5.0
335.25793	82.6
336.26169	6.6
337.27676	1.8
571.47217	34.9
572.47339	5.9
589.48230	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
55.05512	13.9
57.03434	0.7
67.05501	1.6
69.03429	1.4
69.07055	1.2
71.30544	0.7
74.69702	0.5
77.16857	0.5
78.22511	0.5
79.05519	0.9
81.03422	2.6
81.07059	1.2
83.04981	12.9
83.08624	0.5
85.02900	2.2
87.04476	1.0
89.06036	3.4
91.05488	1.7
92.78287	0.6
93.07041	1.8
95.04984	0.9
95.08595	0.7
97.02925	0.9
99.04458	7.7
99.23281	0.5
101.78174	0.7
105.07038	0.8
107.08590	0.8
109.02872	0.8
109.10224	0.8
117.07049	0.9
119.04978	1.3
119.08640	0.9
121.06552	1.6
127.03938	3.2
132.05707	1.7
133.06494	1.6
133.08632	2.3
137.02362	1.7
147.08073	1.9
162.06836	1.2
163.03925	0.7
165.09204	0.7
176.82947	0.5
177.11270	0.9
178.06274	0.6
179.10689	1.1
180.04237	0.8
185.04228	1.0
187.03719	3.9
187.11160	0.7
189.05486	1.6
193.08643	3.4
195.06587	1.8
198.06726	0.8
207.10289	2.1
209.09656	0.9
213.05530	0.8
215.07045	0.8
221.07983	3.4
222.06699	0.6
223.07565	0.7
224.08269	0.6
225.05394	0.6
225.09099	0.7
227.06950	1.1
228.04056	1.3
229.04843	0.9
235.07651	0.8
237.05348	1.1
237.09122	1.2
238.06287	1.2
239.03441	0.8
239.07208	1.4
240.07927	1.0
241.05067	0.7
243.06436	1.8
250.06326	1.2
251.07025	2.8
252.07785	1.6
253.05074	1.6
253.08717	1.0
254.05925	0.6
255.06682	0.7
255.10329	1.6
257.08072	1.0
263.07153	0.9
265.08655	1.9
266.05682	1.0
267.06760	2.1
267.10223	1.0
267.15958	0.7
268.04294	0.6
268.07401	2.3
269.04556	1.1
269.08197	1.5
269.11652	0.8
270.05502	1.0
271.06168	0.8
277.08646	0.7
278.05597	0.8
279.06372	3.0
279.09573	0.6
280.07269	0.8
281.04742	0.9
281.08182	4.1
282.05304	2.7
282.08850	1.8
283.06165	1.7
283.09723	3.2
285.07678	1.7
289.21649	0.9
293.08069	1.9
294.08972	1.1
295.06085	1.8
295.09644	1.7
296.06873	2.5
297.07617	1.6
297.10956	1.0
298.08429	1.0
299.05591	1.3
299.08914	1.1
301.07104	1.7
305.07809	0.6
307.05835	0.6
309.07745	1.1
310.08456	1.4
311.09113	7.4
312.09808	1.3
313.07095	1.7
313.10812	2.4
319.05667	0.8
321.07336	1.0
323.09137	0.8
325.10721	2.8
327.08621	1.0
327.12277	0.9
328.09509	1.1
333.07242	1.2
335.08746	1.5
338.07944	0.6
341.10449	1.6
342.11002	0.8
343.11633	4.1
349.06812	1.0
352.09271	0.7
355.11884	0.9
357.13391	0.7
363.08466	2.2
364.09430	1.8
365.10123	1.5
375.08243	0.8
379.11746	2.3
385.12756	1.3
392.08594	0.8
407.11139	5.0
435.10416	3.0
507.16299	5.9
508.16968	0.8
541.17249	1.4
569.16241	6.0
570.16754	0.8
597.15552	4.4
607.21887	1.6
669.21521	38.4
670.21680	5.9
717.31030	0.6
769.26709	100.0
770.26965	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34664	0.4
55.05512	13.1
56.82613	0.3
64.27978	0.4
67.05509	1.2
68.99773	0.4
69.03436	1.4
69.07067	0.6
70.06564	0.4
70.56494	1.2
75.04477	0.5
79.05510	0.8
79.67281	0.4
81.03433	2.2
81.07050	0.8
83.04980	12.7
83.05457	0.7
85.02917	1.7
87.04503	0.7
89.06041	0.6
91.05510	1.2
93.07023	0.9
95.04958	1.0
97.02907	1.4
99.04455	7.8
105.07033	1.0
107.04992	0.6
107.08604	0.6
109.02884	1.0
109.10191	0.7
115.05538	0.5
117.01292	0.4
119.04939	0.4
119.08611	1.2
121.06509	0.9
127.03935	2.8
132.05746	1.7
133.06532	0.7
133.10123	0.6
135.08006	0.5
137.02371	1.3
139.03876	0.5
145.02620	0.5
145.06483	0.4
147.08075	1.3
152.04741	0.4
162.06807	1.1
163.03958	0.7
165.09166	0.9
167.07060	0.5
173.06056	0.5
175.07607	0.7
178.06277	1.2
178.07831	0.5
179.10741	0.7
180.04263	0.6
181.04980	0.6
185.04367	0.4
187.03656	2.8
189.05515	1.0
193.08611	2.8
193.94997	0.4
194.07231	0.6
195.06570	1.2
207.10132	3.2
209.09746	0.9
210.06802	0.5
211.07585	0.7
213.05388	0.8
215.06970	0.8
219.08142	0.6
221.06100	0.8
221.08041	3.8
223.07596	0.7
224.08238	0.6
225.05511	0.9
225.09071	0.8
227.07149	0.5
228.04097	1.2
229.04903	0.6
231.06731	0.6
236.08371	0.8
237.05473	1.0
237.09250	1.1
238.06360	0.7
239.07056	1.6
240.04326	0.5
240.07881	0.9
241.04971	1.1
241.08665	0.7
242.05812	0.5
243.06340	2.5
250.06329	0.6
251.07022	2.6
252.04231	0.6
252.07732	1.1
253.05070	1.1
253.08621	1.4
254.05823	0.7
254.09280	0.6
255.06520	0.7
257.08224	1.0
263.07071	1.0
264.07846	0.6
265.08615	2.2
266.05869	0.7
266.09351	0.9
267.06589	1.8
267.10168	0.9
267.15958	0.8
268.07309	1.5
269.04523	1.1
269.08081	1.2
269.11862	1.0
270.05347	0.6
270.09174	0.6
271.06180	1.2
271.09933	0.5
279.06580	1.8
280.07321	1.0
281.04501	1.2
281.08167	5.1
282.05432	1.0
282.08917	1.8
283.06088	2.0
283.09705	3.3
284.06808	0.5
285.07709	1.9
286.04874	0.8
286.08414	0.7
293.08170	1.8
294.08868	1.1
295.06107	1.4
295.09778	1.9
296.06827	2.2
297.07773	1.2
297.11310	1.5
298.08331	0.9
299.05579	1.3
299.09250	1.5
301.07251	1.7
307.05920	0.7
307.09525	0.6
309.07587	0.9
310.08359	1.0
311.09167	7.2
311.12793	0.7
312.06445	0.9
312.09833	1.5
313.07175	1.7
313.10815	1.8
313.14188	0.5
314.07742	1.2
317.07852	0.4
319.05850	0.5
321.07538	1.1
322.08456	0.6
323.05475	0.7
323.09204	1.2
325.07193	0.9
325.10818	3.3
327.08755	2.0
327.12311	0.7
328.09540	1.2
333.07507	1.3
335.05457	1.0
335.09088	1.6
336.10056	0.5
337.07059	0.6
340.09760	0.6
341.10309	1.1
342.10953	0.8
343.11761	4.6
347.09085	0.8
349.06827	1.3
354.10754	0.5
355.11884	0.5
357.13275	0.8
363.08533	1.4
364.09302	2.1
365.09952	1.0
367.11789	0.6
375.08484	0.9
376.09250	0.7
377.10010	0.6
379.11533	2.3
385.13040	1.2
389.10440	0.5
391.11584	0.9
393.09882	0.6
407.11038	6.1
408.11792	0.6
425.12054	0.7
435.10217	2.4
459.27512	0.6
477.28436	0.5
495.13174	0.5
507.16324	7.0
508.17099	0.6
511.11960	0.5
541.16876	1.2
569.16296	7.2
597.15729	5.1
598.15320	0.6
607.21240	1.5
669.21521	39.8
670.21912	4.9
740.19476	0.5
769.26703	100.0
770.27094	15.4
770.37659	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	9.9
56.82328	1.9
61.02928	2.3
65.03982	2.9
67.01879	4.1
68.99802	7.8
71.29002	2.1
89.03953	2.9
97.02911	3.2
105.03407	2.8
107.04955	5.5
109.02874	13.3
111.00828	6.0
111.04417	4.5
117.03372	3.8
119.04890	3.7
121.02890	3.7
123.04430	66.5
127.03923	14.2
128.69615	1.8
131.04935	3.6
135.04405	55.2
137.02324	20.5
139.03906	60.3
147.04396	19.9
149.02370	6.3
151.03880	16.7
153.01830	47.6
153.05421	4.3
159.04405	3.4
161.06010	3.2
161.92882	2.1
163.03894	100.0
165.01813	13.1
165.05473	7.4
167.03447	7.6
171.02869	22.6
173.05984	3.3
175.03879	5.2
177.01808	2.7
177.05360	2.2
179.03351	15.7
181.01363	4.5
181.05014	3.0
181.06505	2.8
183.02942	2.3
185.06020	4.0
187.03899	11.6
189.01833	12.2
191.03413	7.6
193.01347	8.8
193.04997	5.7
195.02885	15.3
197.06023	5.0
201.05528	6.9
203.03401	16.2
205.04955	5.6
207.02905	2.5
207.06412	2.4
209.04462	5.4
211.02354	5.6
211.04074	3.0
213.05460	7.8
215.03412	4.6
217.04947	3.5
219.02917	3.2
221.04341	14.3
223.02318	11.8
225.05603	3.3
227.03429	4.2
229.04930	7.9
231.02876	9.0
237.03960	7.5
239.03366	6.3
241.04950	7.2
243.02802	3.2
245.04501	4.9
247.02344	6.4
247.06018	7.6
253.04974	6.9
255.04745	14.5
257.04413	22.4
259.05975	17.9
265.03275	16.6
267.02814	4.9
269.04520	11.0
271.02524	5.0
271.05984	10.5
273.03952	6.7
279.03021	2.9
281.04523	9.2
283.04150	24.6
285.03870	10.5
285.07001	2.3
287.05490	6.8
293.04398	5.1
294.05069	2.6
295.02496	2.8
295.05777	3.6
297.03946	11.7
299.05444	4.2
301.05396	81.1
303.08694	3.0
307.05762	2.9
309.04163	14.4
311.01910	7.3
311.05646	6.2
313.03339	6.4
313.06793	2.8
315.05084	3.6
319.05844	2.5
321.03476	4.7
323.01843	4.2
323.05441	5.5
325.03430	6.3
327.04984	3.3
331.04602	3.0
335.01657	4.7
335.05450	3.6
337.03506	4.2
339.05020	7.7
341.06516	4.9
343.04437	5.4
351.04739	3.8
353.02866	2.6
353.06577	2.9
355.04474	4.2
357.06027	29.6
367.04462	6.3
371.03638	3.2
375.07083	2.8
385.05493	8.7
391.04312	3.4
397.05554	3.1
399.07187	2.3
403.06589	10.3
409.05362	33.5
409.09753	3.4
410.06137	2.7
411.10648	15.0
413.05099	4.0
417.08090	9.6
421.07617	88.3
422.08005	4.5
427.06537	28.8
428.07504	2.5
431.06061	15.6
433.07224	2.6
445.07648	21.0
449.07114	19.5
461.07043	6.5
463.08746	38.2
464.08749	2.5
473.07043	8.4
491.09750	2.8
519.09503	2.8
565.09625	14.9
577.09607	2.5
583.10840	46.4
584.10944	4.3
601.11865	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.6
55.10653	1.5
67.69566	1.5
69.09270	8.7
69.09692	6.8
79.05501	4.4
81.07021	2.0
82.52034	1.6
91.05484	19.6
94.04209	2.6
95.04983	6.4
103.05475	7.4
105.07040	7.2
106.07470	1.5
107.04964	14.0
109.06429	1.7
111.04421	2.6
115.05455	4.0
117.07026	3.1
119.04949	12.7
121.06493	12.8
122.03642	5.9
123.04452	4.5
124.90916	1.7
125.06001	2.6
128.06216	2.0
129.07011	6.8
130.04131	1.7
131.04936	9.9
131.08542	2.7
132.05666	1.9
133.02850	12.2
133.06511	4.3
134.03670	2.8
135.04434	6.1
135.08084	2.8
137.05984	100.0
138.06329	4.4
144.05708	2.8
145.06480	5.0
146.07233	3.5
147.04407	11.7
147.08073	2.5
149.05997	16.0
151.03954	8.0
151.07561	31.1
153.05486	2.4
157.06493	4.5
159.08081	3.2
160.05247	3.6
161.05988	64.5
161.09628	10.0
162.06676	4.0
163.03926	2.9
163.07565	13.0
165.07060	4.5
165.09148	2.5
167.07100	5.0
167.08554	4.0
174.06802	5.9
175.07553	34.2
177.05539	2.8
177.09132	4.6
178.07861	3.4
179.07043	5.4
179.08545	2.7
181.06386	2.1
182.07265	2.0
183.08115	2.1
183.77467	1.6
187.07578	7.3
188.08350	4.8
189.09099	26.1
191.06943	2.7
191.08560	6.0
193.06557	3.8
193.08592	2.1
193.10159	2.5
194.07315	4.5
195.08099	10.2
195.10042	3.7
199.07558	3.2
201.09044	2.8
203.07062	2.2
205.08565	1.8
206.07359	2.2
207.08255	3.2
207.10127	21.7
208.08893	2.1
209.05969	3.8
209.09686	3.4
210.06851	3.6
211.07509	5.9
213.09053	3.2
217.08621	1.8
218.07401	2.6
219.08063	13.0
219.10199	17.8
220.08720	2.9
221.06015	9.5
221.09572	4.4
222.06735	3.5
223.07573	7.1
223.11168	1.9
224.08301	3.1
225.05476	2.1
225.09019	8.3
227.07071	4.1
227.10727	3.9
233.09706	2.5
234.06787	3.4
235.07477	5.5
236.08319	2.4
237.09109	9.7
238.09859	2.6
239.07018	7.1
239.10741	2.2
240.07898	4.9
241.08481	3.6
242.09344	2.4
243.10110	2.3
247.07599	8.4
248.08307	2.5
249.05290	2.5
249.09171	6.8
250.06331	3.6
250.09915	2.3
251.06973	5.2
251.10681	8.9
252.07753	4.2
253.08618	19.6
254.09268	2.5
255.06465	4.5
255.10205	5.3
261.09058	2.8
263.07098	3.3
264.07800	4.2
265.08511	14.3
266.09369	3.4
267.10193	8.9
268.07367	3.2
268.10913	3.5
269.07980	3.5
269.11618	2.4
270.08908	5.4
271.09683	3.3
273.11383	3.5
275.10617	1.9
276.07520	2.0
277.08560	5.7
277.12323	2.5
278.09308	3.5
279.10153	12.0
280.10751	2.2
281.08408	2.0
281.11716	3.6
282.08826	3.8
283.09665	12.8
283.13278	6.2
284.10657	2.3
285.11273	11.7
287.12814	3.4
289.08539	2.2
291.10193	4.1
293.11676	2.0
295.09683	6.0
296.10446	6.3
297.11221	32.4
298.11813	2.9
299.12759	3.2
305.11771	5.3
307.09665	4.9
308.10394	2.5
309.11209	11.0
310.12051	3.7
311.12717	17.0
313.14496	2.3
315.12387	9.0
321.11188	4.3
322.11938	2.2
323.12793	8.0
325.14456	2.3
327.12311	15.5
329.13837	44.9
330.14175	4.4
331.15112	3.9
335.12759	3.3
335.92691	1.7
337.14224	7.3
339.12305	6.4
340.13065	4.3
341.13806	12.5
343.15546	3.2
349.14294	3.3
353.13837	3.8
355.15363	27.9
356.15652	2.8
367.15323	13.8
368.15805	2.1
379.15274	2.3
385.16541	2.4
397.16541	8.5
431.14993	2.5
443.29688	1.9
445.16333	2.7
457.15738	1.9
459.18265	4.0
469.15945	1.6
475.17194	1.8
477.18958	6.4
489.18936	5.8
503.20630	3.2
507.20428	8.7
515.20844	4.0
519.20642	2.9
525.20612	2.0
609.24451	2.6
657.27142	1.9
770.26245	3.2
771.26154	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	22.5
55.05510	49.3
57.03440	27.1
57.07059	5.9
59.04995	6.3
61.02910	5.4
65.03944	6.6
67.05501	89.7
68.56252	3.0
69.03432	28.0
69.07066	18.2
71.01363	3.9
71.04995	12.7
71.29008	3.2
73.02909	7.2
77.11732	2.9
79.05489	65.1
81.03419	100.0
81.06583	4.0
81.07051	63.3
82.04202	7.2
83.04979	35.5
83.08618	32.0
84.05785	3.0
85.02905	17.7
85.06533	8.0
87.04453	7.8
91.03964	2.9
91.05479	45.7
93.07033	44.8
94.04207	4.1
95.04959	39.3
95.08604	24.1
97.02892	20.8
97.06527	24.7
97.10166	33.3
98.03674	10.9
98.07325	6.1
99.04440	12.3
99.08096	2.9
103.03967	3.5
105.07021	30.0
107.04961	24.2
107.08588	36.7
109.02863	13.2
109.06504	10.7
109.10146	52.0
110.07323	6.6
111.04442	15.3
111.08114	14.3
113.05956	4.2
115.03875	3.2
116.04716	8.2
117.07020	11.1
118.84341	2.7
119.08580	25.2
121.06513	10.6
121.10130	16.7
123.04420	11.1
123.08099	14.3
123.11651	2.8
125.05957	4.1
125.09624	39.8
127.03902	10.9
129.05487	30.6
129.07010	10.5
130.07784	3.2
131.08537	13.2
133.10153	14.6
135.04398	3.8
135.08063	8.3
135.11668	14.0
136.91722	2.5
137.06015	3.2
137.09618	6.0
139.03891	4.3
142.07831	3.0
143.07014	6.5
143.08571	4.4
145.10147	18.5
147.08057	8.4
147.11717	13.9
149.09602	5.9
153.09108	9.1
153.12758	7.5
155.10641	3.3
157.08618	9.6
157.10115	12.6
159.08087	2.7
161.09715	3.5
163.11162	25.8
171.06558	3.3
171.10117	3.0
173.04445	16.7
173.09608	7.9
173.11716	24.1
175.11203	10.7
181.12201	4.2
189.11220	12.8
191.10641	10.0
193.12222	13.8
199.05994	6.0
199.13234	18.6
200.14066	4.2
201.14839	3.5
209.11708	21.4
211.13222	4.3
217.14510	2.6
223.13213	4.2
224.13881	3.6
227.12735	20.8
229.14362	26.0
241.14355	4.8
253.14384	3.6
265.14258	6.4
267.15912	24.9
283.15314	21.4
284.15924	4.3
285.17136	3.1
301.16443	40.3
315.18158	4.6
353.06223	3.0
367.22519	3.5
383.23917	2.8
385.23532	6.5
437.25238	8.4
438.26248	3.6
445.20306	5.6
455.26413	15.1
459.27350	24.9
469.28180	6.2
477.28384	25.0
491.29922	5.4
509.27249	7.4
527.28333	4.4
655.33661	3.9
671.32501	3.9
716.84637	3.7
732.86243	2.9
770.39514	7.1
771.41888	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	13.4
55.05511	31.1
57.03434	12.9
59.04993	4.4
61.02915	3.2
65.03932	3.8
67.05505	40.8
68.05842	1.4
69.03427	11.4
69.07069	31.2
71.04993	5.4
71.30175	1.8
71.43365	1.0
73.02921	1.5
77.03905	1.4
79.05492	48.4
80.05779	1.0
81.03415	15.2
81.07057	39.3
83.01339	7.4
83.04981	14.5
83.08619	16.7
84.08131	1.0
85.02918	6.0
85.06551	1.8
85.90214	1.0
89.28540	1.0
91.04008	1.1
91.05479	40.4
91.51814	1.2
93.07043	44.1
95.04969	13.4
95.08601	21.9
97.02884	11.1
97.06531	7.2
97.10161	14.5
99.04433	2.5
99.08095	1.7
105.04523	1.3
105.07027	29.6
107.04951	13.5
107.08593	25.2
109.02892	2.1
109.06500	10.8
109.10143	11.1
111.04430	2.9
111.08076	4.7
115.05441	1.7
117.07010	16.8
119.04942	1.7
119.08575	22.1
121.06482	5.5
121.10153	12.5
123.04472	1.9
123.08063	9.6
123.30336	1.1
125.05975	1.9
125.09612	10.0
127.03938	1.8
128.06212	3.0
129.06996	7.6
130.07756	2.4
131.08575	15.1
133.06468	3.9
133.10121	11.6
134.07281	1.2
135.08073	5.9
135.11691	10.6
137.09619	2.5
139.11130	1.2
139.14012	1.1
141.06972	2.1
142.07777	2.2
143.08559	5.2
143.90440	1.2
145.06453	1.7
145.10124	22.0
147.08047	8.3
147.11684	8.2
149.09631	3.2
149.13181	1.8
151.11133	1.3
153.12788	1.8
155.08516	2.6
157.10107	5.7
159.08141	1.8
159.11678	8.3
161.09615	3.1
161.13263	2.0
163.11183	17.5
164.11484	1.6
168.97986	1.1
169.10110	2.5
171.11650	4.6
173.09669	3.7
173.13234	1.9
175.11240	2.5
177.12677	2.5
181.12206	2.9
184.07335	1.5
185.13219	3.2
189.11211	3.7
189.12767	2.4
191.10565	2.7
193.10240	1.2
193.12158	1.9
205.12202	3.0
207.13853	3.6
209.11739	4.9
223.13277	15.8
227.12770	9.3
239.18120	2.2
249.14880	2.9
253.14400	2.5
255.17603	1.3
257.18982	4.5
267.15988	2.3
273.18454	13.5
275.08826	1.1
275.20087	6.0
281.17444	11.1
283.15396	70.5
284.15741	3.1
291.19534	100.0
292.19907	6.8
306.44565	1.4
309.20630	1.4
331.22528	2.1
347.22113	2.6
349.23938	2.0
365.23218	40.9
366.23492	3.5
493.27545	3.1
537.35522	1.5
541.35120	4.5
555.35956	4.8
573.34137	82.5
574.34296	11.9
770.42169	2.4
771.44629	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.1
55.05512	25.7
57.03193	2.0
57.03444	17.0
65.03939	3.2
67.05508	39.6
69.03435	7.7
69.07066	8.5
70.17090	1.8
71.04990	9.3
71.14455	2.2
79.05059	3.8
79.05493	47.4
81.03419	91.9
81.07057	39.0
83.04986	12.2
83.08616	33.1
85.02900	14.4
85.06516	3.0
91.05480	35.6
93.07047	30.8
95.04967	28.0
95.08617	16.2
97.02906	8.9
97.06539	10.6
97.10172	20.8
105.07030	26.4
107.04958	20.4
107.08597	20.4
109.02893	5.0
109.06523	10.8
109.10183	10.8
111.04467	5.5
111.08100	7.5
117.07051	12.8
119.04929	2.0
119.08583	26.3
121.06486	11.3
121.10138	14.6
123.04436	3.8
123.08074	7.5
123.11633	2.4
125.09647	22.5
129.05501	2.5
129.07018	15.4
131.04947	2.3
131.08569	18.4
133.06523	8.0
133.10133	11.3
135.08064	5.4
135.11694	7.5
137.09634	3.7
141.06958	2.0
142.07848	2.5
143.08589	4.8
143.10632	2.3
145.06500	7.9
145.10118	7.4
147.08064	7.8
147.11688	15.2
149.09639	10.3
151.07634	3.3
153.09143	4.5
155.08551	2.5
157.10118	16.1
159.08098	4.2
161.09662	4.4
163.11169	6.3
165.12813	3.7
171.08133	3.0
171.11694	4.2
173.05849	2.3
173.09679	4.2
173.11797	2.2
173.13211	2.2
175.11172	15.1
177.12892	2.3
181.10181	1.7
185.13394	2.8
189.09265	3.7
189.11258	6.1
193.12247	32.0
195.11778	2.4
197.13243	3.3
199.11179	2.3
201.12724	2.9
203.01910	1.9
205.10384	1.9
205.12216	2.7
207.10097	2.6
211.11365	2.6
211.13219	10.5
213.12772	2.4
219.13832	3.3
223.11258	2.5
226.12059	2.0
227.12787	7.3
231.13901	2.3
233.15401	9.3
249.15018	2.4
255.13818	2.7
267.15912	60.4
268.16330	2.7
273.14853	8.4
282.14630	3.1
285.17166	3.5
293.17447	3.2
301.14377	2.2
339.23108	3.2
349.21664	3.8
357.24216	3.9
367.22784	16.5
385.23706	28.7
403.24789	8.2
421.25894	2.2
429.21136	2.0
433.25909	6.2
441.26218	9.2
457.25589	2.9
459.27426	97.2
460.27930	9.7
470.38626	2.0
474.26239	4.5
475.26752	3.9
477.28479	100.0
478.28784	12.2
491.30081	16.0
501.28540	2.6
509.31027	14.0
519.29553	2.3
585.30536	6.5
603.31201	6.0
621.32336	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.5
67.05502	10.8
69.07069	6.6
69.07954	15.7
69.08381	13.6
79.05504	9.1
80.75454	3.2
81.07071	15.7
82.61149	2.9
83.04995	8.6
91.05489	17.6
93.07027	17.9
95.04971	4.6
95.08611	15.5
103.05488	25.4
105.07037	34.8
107.08609	12.6
109.10148	6.5
117.06989	5.9
119.08587	13.9
121.06516	15.4
121.10136	65.3
122.10490	4.2
123.11649	3.5
131.04941	41.1
131.08580	10.0
132.05267	11.7
133.10135	29.4
135.11665	4.1
141.06999	4.1
142.07784	3.5
143.08514	5.0
145.10159	4.6
147.11774	5.2
157.10182	15.4
159.11711	3.9
161.13280	3.6
184.07391	12.4
189.12755	61.6
203.17923	25.3
213.16428	12.5
235.07672	3.1
253.15926	11.4
257.07748	2.9
267.06784	3.9
270.08832	3.8
274.08179	3.6
279.10379	4.4
280.10510	3.9
286.08340	4.0
290.07062	3.6
293.11832	5.1
295.13342	6.0
296.10382	4.5
299.09146	6.1
301.11285	4.7
308.10226	3.2
309.11285	4.3
309.14774	4.9
313.10590	6.0
313.14188	3.7
314.11343	5.8
317.10281	5.1
317.22876	3.9
318.10892	12.5
323.12781	8.9
324.13376	4.4
327.12207	7.1
328.12933	5.5
331.60110	4.0
332.12463	12.6
333.13275	4.6
335.23639	43.7
337.14383	15.6
338.15067	7.7
339.12030	4.6
339.15735	8.1
345.13379	7.8
354.14462	4.5
355.15475	13.5
369.16940	24.1
370.17694	20.0
371.18329	6.7
386.17450	5.1
401.19623	100.0
402.19986	20.1
403.20181	8.1
531.23755	4.7
629.47784	4.6
770.50238	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.7
66.94300	1.0
67.05500	4.3
69.07060	4.3
73.25726	1.2
79.05495	3.8
81.07055	10.4
86.09679	1.7
87.56886	1.1
89.13680	1.0
91.05477	20.1
93.07038	6.6
95.08601	12.1
97.10173	2.0
103.05465	5.9
105.07030	16.9
107.08585	8.3
108.54111	1.0
109.10178	7.4
109.10787	1.1
117.07006	11.3
119.08589	8.7
121.06522	3.5
121.10137	9.9
123.11710	5.0
124.99963	1.0
129.07028	4.1
131.04936	9.7
131.08577	6.6
133.10159	6.4
135.11653	1.5
141.07033	2.8
143.08560	3.9
145.10115	4.6
147.11674	6.0
149.13213	1.8
152.16801	1.0
155.08534	4.6
157.10129	4.1
159.11711	1.5
161.13234	5.5
167.08595	1.8
169.10139	3.7
171.07980	1.7
175.11230	1.1
175.14844	1.6
181.10184	1.9
183.11649	4.0
184.07312	4.4
185.13199	1.5
187.14723	1.1
189.12695	2.7
189.16347	2.8
193.10110	1.6
195.11732	2.3
197.13263	1.6
203.17963	21.1
211.14848	1.7
219.10068	1.1
225.16402	2.9
227.06862	2.3
235.14864	1.3
237.16393	2.0
243.06447	3.6
252.11423	1.7
253.08572	3.2
253.15855	5.2
255.06573	2.5
256.07257	1.3
257.08075	2.2
258.08441	1.3
263.10706	3.1
264.11484	1.8
265.15768	1.6
267.06528	2.6
267.21036	1.2
269.08008	2.0
270.08731	1.9
271.06076	1.5
271.09424	1.3
277.12039	1.4
279.10153	2.9
280.10901	2.3
281.08035	3.9
281.11435	1.8
282.08820	4.7
283.09619	2.1
285.07483	2.9
285.10886	1.8
286.08450	2.2
287.08954	2.5
291.10168	3.9
292.10831	1.5
293.08408	1.4
293.11609	1.9
294.12521	1.4
295.09985	1.9
295.13254	7.9
296.10464	4.7
298.08331	3.6
299.09055	4.8
301.10727	3.7
302.07803	1.9
303.08774	2.8
305.11673	2.0
306.12607	2.5
307.09854	1.9
307.13177	3.1
307.24280	5.6
308.10437	1.9
309.11203	3.2
309.14948	4.7
310.11734	1.1
311.12656	1.7
312.09900	3.2
313.10672	8.1
314.11444	3.3
315.08755	1.8
315.12204	1.6
316.09158	1.2
317.10156	7.8
317.22446	2.1
318.10959	10.6
322.11920	3.3
323.12686	14.5
324.13440	3.3
327.12241	7.0
327.15689	1.7
328.13016	4.5
330.11029	2.1
331.11633	5.8
332.12604	10.9
333.13208	3.3
335.23648	14.2
337.14362	16.3
338.15015	9.6
339.12296	4.4
339.15829	3.7
340.12985	2.4
341.17590	5.6
345.13477	5.7
354.14551	4.1
355.15366	13.5
359.14780	4.8
369.16974	22.4
370.17688	24.0
371.18478	2.4
386.17255	4.6
401.19574	100.0
402.19736	7.3
455.20728	1.3
523.21820	1.2
531.23737	2.9
543.74542	1.3
561.86438	1.2
684.30322	1.3
735.42114	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.4
57.07067	0.7
60.08162	0.8
61.32881	0.4
67.05510	2.2
68.32014	0.4
69.07063	1.7
69.92863	0.7
69.93275	1.1
79.05486	2.1
81.07056	11.8
83.04979	18.5
86.09707	2.9
91.05481	5.0
93.07032	2.5
95.08599	5.0
97.10172	0.5
98.98459	0.5
103.05463	11.7
105.04518	0.4
105.07032	5.5
107.08588	2.9
109.06523	0.5
109.10150	1.9
117.07030	2.2
119.08598	2.1
121.06460	0.5
121.10126	3.3
123.11716	2.8
125.00034	2.0
129.06987	2.1
131.04924	22.4
131.08574	2.9
132.05345	0.5
133.10150	2.7
135.11685	0.7
137.13176	0.8
141.06990	1.8
142.07689	0.4
143.08562	2.3
145.10095	2.3
147.11662	0.9
149.13284	0.5
153.07130	0.5
155.08569	2.6
157.10138	1.1
161.13281	1.2
167.08528	0.6
168.09390	0.7
169.10048	3.0
170.10780	0.5
170.68991	0.4
171.11702	2.9
181.08612	0.6
181.10175	1.3
183.11697	5.2
184.07329	9.9
184.08917	0.6
185.13286	1.0
188.08456	0.4
189.16420	0.7
193.10120	0.6
195.11723	1.2
197.13240	2.6
203.17953	0.8
209.13147	0.5
211.07565	0.8
211.14775	0.8
213.09097	0.4
215.07039	0.8
219.10155	0.8
225.05452	0.7
225.09018	0.7
225.16397	1.8
227.07018	1.2
228.07646	0.4
229.08514	1.0
237.16432	1.3
239.06999	0.5
240.07877	0.9
241.08592	1.3
242.09340	0.4
243.06630	1.2
248.08339	0.4
249.09219	0.8
249.12781	0.5
250.06270	0.4
251.10681	1.5
252.07845	0.8
252.11551	0.8
253.08600	1.5
253.15849	1.2
254.09268	1.0
255.06445	1.2
256.07159	0.4
257.08035	1.9
258.08878	1.3
263.10782	1.2
264.11456	1.0
265.08591	1.1
267.06549	2.2
267.10278	1.1
267.13745	0.4
268.07281	0.8
268.10568	0.4
269.08124	1.2
270.08960	1.8
271.05933	0.7
271.09698	0.9
272.06833	0.6
274.08215	0.6
276.11444	0.5
277.08603	0.6
277.12384	0.7
278.12878	0.8
279.10184	2.8
279.13617	0.9
280.08167	0.5
280.10941	2.0
280.13672	0.4
281.08075	2.7
281.11407	0.8
282.08807	2.3
283.06384	0.7
283.09485	0.5
284.10529	1.0
285.07504	1.6
285.11108	1.5
286.08286	2.1
287.05692	0.7
287.09088	1.3
289.10864	0.7
291.10229	1.8
291.21225	0.5
292.10852	1.3
293.11664	2.1
294.12433	1.2
295.09686	1.3
295.13269	4.3
296.10379	3.0
296.13449	0.8
297.07700	0.9
297.11224	1.0
298.08243	2.2
299.09167	3.3
299.12427	0.9
300.09836	0.7
301.07227	1.0
301.10721	2.7
302.07776	1.4
302.11426	1.1
303.08624	2.2
305.11673	0.7
306.12424	2.5
307.09650	2.6
307.13266	1.7
307.24139	6.6
308.10355	2.1
308.13763	0.8
308.24240	0.6
309.11185	2.0
309.14886	4.7
310.15576	1.3
311.09235	0.9
311.12833	1.2
312.10086	2.1
312.13245	0.5
313.10699	5.3
314.11429	2.7
315.08780	0.7
315.12198	0.8
316.09491	0.9
317.10193	5.3
317.22696	0.6
318.10953	6.0
321.11252	0.5
322.12012	1.9
323.12769	9.3
323.16492	0.7
324.10120	0.5
324.13385	2.6
325.10693	1.1
325.14325	0.5
326.11609	0.6
326.15173	1.5
327.12247	3.9
327.15790	1.1
328.12997	3.6
329.10208	1.1
330.10971	1.3
331.11697	3.5
332.12512	7.7
333.13254	2.6
335.23764	4.5
337.14304	13.6
337.18417	0.6
338.15039	8.3
339.12476	3.0
339.15668	3.1
340.13028	0.9
341.13739	0.7
341.17465	4.7
344.12506	1.1
345.13342	4.3
346.13855	0.9
351.15933	0.5
354.14655	2.4
355.15390	8.0
356.16089	0.6
357.13101	0.6
359.14810	4.1
369.16953	17.9
370.17706	17.2
371.14771	1.4
371.18387	1.4
372.15384	0.8
386.17175	3.7
401.19565	100.0
402.19894	7.5
527.57996	0.5
531.23590	1.7
629.47363	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88141	1.8
55.01865	8.1
55.05515	28.7
57.03433	9.0
57.07067	3.7
65.03936	5.4
65.23343	2.1
67.05504	82.3
68.05849	3.1
69.03436	7.2
69.07066	24.7
71.05000	3.4
71.31703	3.4
73.02924	2.1
77.03920	2.2
79.05491	100.0
80.05815	3.1
81.03420	12.2
81.07055	78.8
83.04985	15.0
83.08611	15.4
85.02937	3.3
85.06551	5.2
87.78853	2.1
91.05482	90.3
92.05804	2.6
93.07043	96.8
94.07394	4.5
95.04971	25.0
95.08611	41.5
97.02897	4.4
97.06532	14.4
97.10154	3.8
99.08104	3.1
103.05476	2.9
105.04526	3.6
105.07032	77.1
106.07408	3.3
107.04935	12.7
107.08586	39.0
109.06491	9.7
109.10131	15.9
111.08084	6.8
115.05388	2.4
117.07022	23.5
119.08578	47.7
121.06538	7.5
121.10130	17.2
123.08059	7.5
123.11658	1.9
125.09682	2.2
127.07576	3.0
128.06224	4.0
129.06998	19.7
131.08563	24.6
133.10129	37.0
134.10504	2.1
135.08095	4.6
135.11702	8.2
140.27768	2.1
141.06917	2.3
143.08597	11.2
145.10123	25.2
146.10519	2.7
147.11685	51.8
148.11978	2.4
149.09607	11.1
149.13240	11.4
151.11192	2.8
154.97781	2.0
155.08572	3.6
156.09286	3.0
157.10135	6.4
159.11699	16.5
161.09624	7.5
161.13235	20.4
163.11205	5.8
169.10120	3.4
171.11697	34.5
173.13287	6.2
175.14810	3.4
177.12767	5.0
179.14275	3.1
185.13248	3.1
189.12775	12.4
195.13788	3.8
199.14908	2.8
207.13770	26.6
239.10501	2.2
239.17955	2.1
241.19540	8.8
253.14334	7.8
254.14714	3.7
257.18954	5.6
259.20538	20.7
269.17490	11.6
274.18845	2.6
275.20032	10.8
279.15903	8.0
281.12537	3.4
281.17474	52.4
282.17773	4.2
291.19489	3.1
292.19989	2.5
293.20984	7.1
333.24347	17.5
349.23517	7.5
364.28937	2.2
447.32004	2.6
451.27011	3.1
465.33722	2.6
475.30542	33.3
513.19031	2.3
539.37219	22.0
555.36292	7.0
557.38281	6.1
565.83130	2.7
573.37292	11.2
611.46100	7.9
770.43463	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	8.2
55.05513	32.4
57.03435	11.0
57.07080	3.4
65.03949	4.7
67.05505	86.9
69.03450	3.6
69.07066	25.5
71.04988	4.8
71.31486	4.0
71.83080	1.8
79.05492	97.2
80.05849	2.1
81.03428	13.0
81.07059	87.7
82.09055	1.8
82.84557	2.0
83.04977	23.9
83.08627	16.2
85.02904	4.1
85.06542	3.5
86.09755	2.1
87.25656	1.8
91.04896	3.6
91.05480	78.7
93.07042	92.3
95.04982	21.8
95.08605	37.9
97.02887	3.7
97.06522	16.2
97.10194	5.9
99.08111	2.3
103.05477	2.3
105.04522	3.0
105.07033	63.2
107.04974	14.2
107.08586	39.6
109.06532	11.1
109.10114	9.6
111.08108	5.0
117.07023	20.2
119.08583	39.0
120.08962	2.2
121.06525	5.8
121.10135	14.8
123.08108	7.8
123.11732	2.7
125.09618	4.3
127.03947	3.7
128.06259	2.8
129.06999	14.2
131.08597	16.6
133.10130	25.5
135.08093	5.6
135.11699	15.8
141.07057	2.4
143.08549	11.5
145.10117	23.3
147.08054	3.4
147.11682	41.8
149.09602	11.8
149.13292	9.1
151.11192	3.2
155.08615	3.3
157.10196	4.2
159.11714	12.1
161.09608	4.6
161.13251	15.7
163.11188	11.0
165.12897	2.5
169.10124	4.0
171.11708	25.7
173.04543	2.7
173.13324	6.5
175.11182	2.6
177.12808	2.4
183.11671	2.6
189.12726	11.5
195.13782	3.6
204.98364	2.1
207.13809	30.5
208.14145	2.6
225.14964	2.5
227.12793	10.5
239.17950	3.2
255.15967	7.6
257.19034	6.7
269.17484	16.8
275.20087	35.1
276.20389	2.7
281.17462	72.3
281.20520	4.0
282.17850	3.5
283.15546	4.1
292.64175	2.0
293.21155	2.2
349.23727	17.7
376.08420	1.9
435.27194	2.3
457.29565	2.7
459.31085	2.6
461.22623	4.0
461.28821	29.2
475.30566	100.0
476.30814	12.0
527.37006	2.7
537.35480	2.7
555.36829	39.5
556.37250	4.7
573.37506	5.9
619.34827	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	20.5
56.61887	4.8
67.05504	45.0
69.03419	5.2
69.07065	20.9
69.11013	5.6
69.11411	37.0
71.04999	6.8
74.29063	5.0
79.05479	32.9
81.07064	100.0
83.04977	33.8
83.08640	9.3
86.09670	10.0
90.94016	4.4
91.05482	36.8
93.07042	56.8
95.04950	13.3
95.08613	73.2
97.06519	6.8
99.04424	5.9
105.07039	51.2
107.08593	43.8
109.06535	14.7
109.10177	28.1
111.04440	8.9
111.08076	14.8
115.05427	9.4
117.06998	19.6
119.08586	66.1
121.06487	11.6
121.10142	54.6
123.08073	20.4
123.11711	5.5
125.00019	9.2
125.09597	7.9
128.06215	10.1
129.07011	9.3
131.08592	30.3
133.06499	9.3
133.10112	29.9
135.08028	9.2
135.11676	11.7
137.05959	5.9
139.07562	10.1
141.07040	7.6
142.07806	10.0
143.08601	24.9
145.06508	4.3
145.10104	30.1
147.08083	10.8
147.11659	27.1
149.09602	8.5
149.13266	14.7
151.07570	7.1
154.07835	5.0
154.38496	5.0
155.08553	15.7
156.09338	6.4
157.10149	27.3
159.08051	7.8
159.11723	27.7
160.12456	7.4
161.09651	12.7
161.13303	9.1
163.11165	7.1
165.06960	7.1
169.10181	15.8
171.08113	8.7
171.11694	21.6
173.09624	10.9
173.13290	13.9
181.10133	16.1
183.11703	20.3
184.07303	34.1
185.09587	10.1
185.13280	15.0
187.11136	9.5
189.12743	9.3
193.08580	6.7
193.10165	8.9
195.11694	13.8
197.13293	11.6
199.11234	11.5
199.14891	9.9
201.12723	8.2
201.16309	4.9
205.19521	9.1
207.11702	13.9
209.13226	10.1
209.64697	4.6
211.11145	11.5
211.14677	8.0
215.10681	7.1
219.11807	5.7
219.13669	5.1
221.13309	8.5
223.14806	10.4
225.12808	9.8
225.16443	6.2
227.10657	5.9
235.14716	7.8
237.12694	7.1
239.14397	5.2
241.15881	6.4
247.16869	5.3
253.15862	6.9
259.16901	14.5
267.17795	6.0
341.21332	5.9
349.21719	5.3
407.25818	9.7
417.24506	7.1
433.27527	7.6
433.66989	5.1
435.25272	10.4
437.22992	11.5
451.74936	5.2
458.29794	5.1
459.24814	6.8
477.26312	18.6
495.27402	9.7
547.23035	4.4
594.52545	6.5
629.47723	7.5
672.49005	5.9
771.45734	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.4
56.57428	0.2
57.06831	0.3
57.07079	3.6
58.06602	0.4
58.14148	0.2
62.06084	0.3
67.05498	0.5
70.06596	6.9
71.08636	1.7
71.30482	0.2
71.53098	0.2
79.05483	0.4
81.03406	0.6
81.07032	0.7
85.10187	0.5
88.07632	9.9
91.05490	0.6
91.50266	0.2
93.07054	0.4
94.65446	0.2
95.04962	0.3
95.08574	0.3
96.25353	0.2
97.06532	0.3
99.86494	0.3
102.09177	2.6
104.77347	0.2
105.07034	0.4
106.08667	5.9
107.08582	0.3
109.06477	0.3
119.08525	0.4
125.78496	0.2
131.08510	0.3
133.10226	0.2
150.88759	0.2
152.94319	0.2
157.10292	0.3
167.07030	0.3
167.24022	0.2
171.06856	0.3
196.03052	0.2
230.24823	0.6
254.93420	0.2
256.26361	4.5
257.26639	0.4
267.16013	0.3
274.27402	100.0
275.27722	6.3
276.00824	0.3
286.88190	0.3
670.48700	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
55.05505	0.3
56.72137	0.2
57.03428	0.2
57.06798	0.2
57.07077	4.0
58.06598	0.2
62.06086	0.2
63.95364	0.1
67.05499	0.8
69.03403	0.2
69.07057	0.3
70.06590	6.4
71.08634	1.9
71.18979	0.4
78.75188	0.2
79.05473	0.5
81.03410	0.5
81.07048	0.6
83.04982	0.3
83.08607	0.3
83.35860	0.2
85.10177	0.5
86.06094	0.2
88.07629	9.0
91.05489	0.5
93.07044	0.4
95.04955	0.5
95.08591	0.3
97.06492	0.2
97.10152	0.3
102.09174	2.7
105.07016	0.4
106.08666	5.8
107.04930	0.2
107.08571	0.2
109.06484	0.2
109.10160	0.3
118.20410	0.1
119.08553	0.6
119.14516	0.1
121.10172	0.2
131.08633	0.2
133.10152	0.3
143.08594	0.2
144.73843	0.2
180.45645	0.2
189.11279	0.3
211.13283	0.3
212.23810	1.0
227.12773	0.3
230.24841	0.5
244.46396	0.2
256.26343	4.5
257.26761	0.4
258.27725	0.2
267.16013	0.3
271.16806	0.3
274.27386	100.0
275.27728	6.1
275.30771	0.3
285.76785	0.2
289.17801	0.3
329.09845	0.2
363.21689	0.2
555.33484	0.4
573.34106	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.3
55.05278	1.1
55.05514	13.1
57.03441	11.3
57.07074	32.6
60.08151	1.8
61.02929	2.6
65.03938	2.2
67.05503	40.5
69.07063	14.5
70.49458	3.1
71.04975	1.9
71.07381	1.6
71.08630	23.6
74.92231	1.2
78.88406	1.1
79.05069	1.7
79.05494	24.9
81.07058	43.2
83.04996	1.2
83.08615	11.6
85.02892	2.6
85.06538	2.1
85.10183	12.3
86.09705	11.4
89.06036	1.8
91.03938	1.4
91.05481	11.0
93.07043	27.7
95.04956	2.3
95.08603	38.6
97.02894	2.0
97.06534	1.7
97.10149	7.3
98.23171	1.3
99.08059	1.6
105.04507	1.2
105.07048	10.1
107.08595	15.0
109.10152	19.1
117.07014	4.0
119.08575	6.9
121.10139	13.8
123.11698	8.7
125.00002	6.3
131.08565	7.6
133.10139	7.3
135.11702	8.8
137.09637	1.2
137.13225	3.1
145.10104	4.4
147.11676	4.1
149.13260	6.5
159.11659	4.3
161.13278	3.0
163.14812	4.6
173.13286	5.6
175.14859	1.6
177.16420	1.8
184.07335	33.0
186.71747	1.2
187.14827	2.8
212.97879	1.4
239.23621	2.7
243.21120	9.0
257.24704	2.2
261.22128	28.3
262.22485	2.3
279.84738	1.2
313.27341	100.0
314.27594	5.6
317.24765	5.0
335.25800	80.0
336.26047	5.2
573.48767	32.6
574.48981	3.9
591.49493	3.0
629.42932	1.1
687.63721	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2338
Annotation	7-Methylquercetin-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
55.05494	0.9
57.03433	3.6
61.02918	1.3
67.56227	0.4
68.20519	0.4
69.03418	1.7
71.01349	0.8
71.04989	16.7
71.32610	0.8
73.02904	1.9
75.04472	0.9
81.03424	0.6
83.04977	4.4
85.02901	22.7
87.04463	0.6
91.03945	0.4
92.02575	0.5
93.03392	1.1
95.04954	1.3
97.02866	1.1
97.06522	0.6
99.04441	1.1
109.02884	0.5
111.04433	4.2
113.05984	0.4
117.05497	0.8
119.04964	0.6
121.02872	1.4
123.04405	0.5
127.03917	4.9
129.05464	6.3
135.04378	0.5
139.03894	1.0
147.04393	1.2
147.06453	2.0
151.03899	1.0
153.01804	5.5
153.05444	1.6
163.03917	0.8
163.05957	1.0
165.01770	0.6
171.06500	0.6
172.41660	0.4
201.05518	0.7
201.07504	0.6
218.05792	0.5
228.04170	1.4
229.05014	2.8
239.09203	1.8
245.04425	1.1
246.05153	1.8
257.04404	2.3
257.10211	0.4
271.06317	0.5
273.03876	1.4
274.04675	3.9
275.11121	0.6
284.03070	0.6
285.03912	4.1
286.04160	0.7
302.04181	11.9
303.04520	0.5
317.06534	100.0
318.06870	6.1
329.06537	1.2
359.07504	1.6
383.07458	0.9
427.10153	0.9
445.11343	0.5
463.12201	1.6
479.11838	1.5
486.25919	0.5
650.63214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.2
55.05510	15.1
56.23613	0.6
57.03438	6.0
57.07070	2.5
58.27675	0.6
59.05011	0.9
61.02927	19.6
65.03938	1.9
67.05505	30.3
68.05863	0.7
69.03427	10.9
69.07066	11.6
69.12206	2.8
69.12630	2.8
70.07394	0.6
71.01350	2.0
71.04988	2.5
73.02916	10.3
73.06570	0.6
77.03943	0.7
79.05493	20.5
81.03419	5.1
81.07055	28.6
83.04994	2.6
83.08627	6.2
85.02905	15.8
85.06529	1.2
86.09705	0.7
87.04467	0.8
91.03959	7.5
91.05476	20.6
92.05807	0.7
93.07042	20.2
95.04964	3.3
95.08604	20.1
95.09222	1.0
97.02889	14.3
97.06540	2.5
97.10173	4.5
99.04432	1.4
99.08146	0.8
101.02394	2.7
103.05472	1.0
105.04527	1.2
105.07029	18.5
106.07343	0.6
107.04934	1.6
107.08593	14.0
109.02896	1.8
109.06526	2.8
109.10154	8.6
111.04444	1.6
111.08078	1.3
115.05469	2.4
116.06215	0.7
117.07018	10.9
118.07332	0.9
119.08578	15.9
121.06570	0.8
121.10140	8.7
123.08099	1.5
123.11712	2.6
125.05986	1.0
125.09620	1.4
127.03938	2.6
128.06194	3.2
129.06996	12.2
130.07784	0.8
131.08562	15.2
133.10121	10.5
135.08022	0.8
135.11693	6.5
137.09634	1.4
141.06964	5.3
141.07851	0.6
142.07809	3.4
143.08554	14.6
144.09315	1.3
145.05089	1.0
145.06528	1.7
145.10101	14.9
147.11685	6.4
149.13268	2.6
153.07028	2.1
154.07776	1.4
155.06082	0.7
155.08534	10.8
156.09293	1.5
157.10123	14.6
158.10905	1.1
159.11693	10.5
160.12207	0.9
161.13290	2.8
163.11212	2.3
163.14833	0.8
165.07057	1.7
166.07825	0.7
167.08562	6.1
168.09373	1.9
169.10124	13.8
170.10719	1.1
171.11685	12.2
173.09625	0.8
173.13268	6.4
175.11230	0.9
175.14854	2.1
177.12712	0.7
179.08546	2.5
180.09367	0.7
181.10147	7.9
182.10764	1.2
183.11688	14.6
184.07376	2.3
184.12459	0.8
185.11699	0.7
185.13231	9.4
185.14772	0.9
187.14766	3.9
189.16444	1.1
191.10562	0.7
193.10167	3.9
194.10847	1.0
195.11703	9.1
196.12364	1.5
197.13251	9.9
198.13937	1.8
199.14786	4.0
201.12640	1.0
201.16449	2.3
203.18092	0.6
205.10176	1.4
206.10837	0.7
207.11665	3.6
208.12411	0.6
209.13278	6.7
210.13866	1.2
211.14803	7.0
212.15413	0.6
213.16473	3.8
219.11664	1.3
221.13321	3.0
223.13290	0.6
223.14917	5.5
225.16354	4.7
227.18021	2.1
231.17448	0.7
233.13274	1.0
235.14897	2.7
237.16429	3.6
239.17905	3.6
241.14439	1.4
241.19751	1.3
245.13319	0.7
246.61650	0.6
249.16458	1.8
251.18036	1.8
253.19710	1.3
257.19061	1.2
265.19565	1.2
267.21191	1.4
275.17938	0.8
277.19461	0.7
279.21017	0.8
281.22815	0.6
283.20645	1.2
289.19379	0.9
295.24146	0.7
299.23834	0.9
307.20673	0.9
309.21982	1.0
315.18045	2.5
321.22147	0.8
323.23563	0.9
325.25269	0.8
335.25970	4.1
337.25339	1.6
349.25122	0.9
351.23206	0.7
351.26910	1.1
353.24625	0.9
363.26920	1.3
365.28668	0.9
377.28369	0.6
379.30188	0.8
391.29965	1.1
393.31674	0.7
397.13821	0.7
409.31165	1.5
415.29987	0.7
433.30518	1.4
447.32739	1.1
461.33606	1.0
481.32938	1.0
499.33359	0.9
499.39651	0.8
501.35577	1.5
513.35535	1.3
515.37927	1.4
517.40363	7.4
518.40723	1.1
525.35699	0.8
535.41479	3.1
539.37341	2.3
541.39484	1.2
543.37201	1.8
545.38361	2.1
553.38947	0.8
567.39716	0.9
573.43604	0.9
575.39478	2.0
581.41882	0.8
591.44092	6.1
592.44397	1.3
601.27130	0.7
607.43152	2.2
609.45111	100.0
610.45465	18.6
611.46997	1.1
621.44525	1.1
633.45203	1.1
699.47302	0.8
717.47260	1.0
735.47260	1.3
753.49054	1.6
771.51129	18.8
772.51093	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	6.9
55.05513	20.3
57.03436	21.0
65.03944	4.9
65.63979	1.7
67.05506	60.7
69.03434	8.3
69.07072	18.0
69.72480	9.0
70.06573	1.6
71.04998	18.4
74.57484	1.7
79.05493	52.7
81.03419	61.7
81.07063	41.6
83.04983	14.5
83.08633	19.3
85.02910	8.0
85.06557	4.9
91.05482	39.5
93.07042	52.8
95.04969	58.7
95.05556	3.6
95.08603	22.6
96.05299	1.9
97.02868	8.5
97.06535	12.2
97.10174	8.3
99.04465	3.5
101.83841	1.8
103.03962	1.7
105.04573	2.3
105.07024	29.5
107.04958	20.6
107.08591	23.5
109.02897	8.1
109.06533	9.0
109.10154	18.2
111.04442	10.9
111.08119	6.5
115.05452	3.4
117.07026	12.4
119.04935	2.2
119.08585	24.2
121.06541	10.3
121.10143	33.5
123.04427	24.0
123.08086	7.6
125.05952	3.8
125.09615	15.2
127.03902	4.8
129.06999	15.2
131.04936	4.7
131.08563	22.5
133.06503	6.4
133.10124	12.5
135.04416	3.6
135.08078	7.7
135.11682	11.6
137.05980	5.0
137.09644	3.5
139.03920	4.7
139.11169	11.9
141.07010	2.2
142.07782	2.5
143.08559	4.6
145.06494	5.2
145.10112	19.7
147.04437	3.3
147.08061	7.4
147.11716	9.0
149.05989	2.8
149.09608	14.5
151.11136	2.2
153.09138	3.0
153.12811	2.3
155.07318	1.6
155.08560	4.5
157.06497	2.6
157.10143	8.0
159.11684	3.2
161.06013	3.4
161.09627	4.7
163.11159	18.9
165.12779	2.2
167.10687	4.1
169.10114	3.8
171.08055	3.1
171.11685	5.9
173.04449	4.6
173.05939	3.5
173.09621	7.6
173.11729	2.1
175.07626	1.8
175.11182	7.7
179.08617	1.9
179.10625	1.9
185.11731	4.3
187.11197	2.5
189.09291	2.6
189.11192	5.7
189.12804	4.7
191.10693	8.9
193.12256	19.5
203.12724	2.1
205.12263	3.4
207.13708	3.4
209.11731	19.1
211.13306	3.5
213.12930	2.3
213.14833	2.2
217.12376	5.2
219.13853	2.0
223.13284	5.0
227.12769	8.9
229.12280	2.2
229.14278	8.6
231.13745	2.1
235.13277	24.7
236.13664	2.4
241.14374	15.8
247.13342	3.4
249.14867	3.6
259.15430	33.9
260.15881	2.4
265.14371	6.5
267.15915	31.8
271.13315	2.5
273.14737	2.3
283.15500	10.1
289.14221	2.8
301.16641	10.5
307.15384	2.3
309.16907	24.5
315.17984	3.9
354.22772	1.7
355.22543	3.5
365.21002	6.0
373.23715	1.8
383.22180	16.8
401.23282	14.2
402.23340	2.1
419.24341	4.5
421.25604	4.2
433.25873	9.9
439.24866	2.8
447.27145	4.7
457.25891	17.2
458.25452	2.1
465.28781	2.5
475.26898	100.0
476.27231	9.3
489.28134	2.7
493.27948	73.4
494.28333	5.1
507.29681	12.7
511.28467	4.8
525.30469	4.4
583.28546	2.0
601.29724	5.0
619.31085	7.3
696.57990	2.0
773.18280	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	10.8
55.05510	30.5
57.03433	19.9
57.06214	1.4
59.05003	29.6
61.02913	2.4
65.03951	5.3
67.05505	85.7
69.03428	7.3
69.07061	17.6
70.89722	2.9
70.90060	2.1
71.04711	1.4
71.05000	14.7
72.16676	1.5
79.05493	48.3
80.05806	2.2
81.03416	100.0
81.07055	50.3
82.03738	2.1
83.04971	20.7
83.08617	30.5
85.02911	9.6
85.06537	5.8
87.04469	31.0
91.05479	45.9
93.07036	33.5
94.07355	1.8
95.04966	34.4
95.08599	19.5
97.02911	9.3
97.06500	8.3
97.10175	20.5
99.04476	10.0
99.08102	1.7
105.07024	27.7
107.04944	18.4
107.05493	1.6
107.08595	25.0
109.02874	3.2
109.06519	11.4
109.10156	44.9
110.78864	1.5
111.04449	13.9
111.08067	12.4
113.06042	2.1
117.07023	8.8
119.04988	2.4
119.08588	22.4
120.91598	1.7
121.02853	2.9
121.06530	12.1
121.10131	19.6
123.04445	5.9
123.08076	5.7
123.11817	1.6
125.05978	3.1
125.09628	16.6
127.03946	2.1
129.07008	13.4
131.04904	2.4
131.08572	20.5
133.06493	8.0
133.10114	14.3
134.10567	2.2
135.04433	6.6
135.08051	6.3
135.11716	7.2
137.05978	4.4
137.09633	3.9
139.03908	2.0
141.06906	2.2
142.07768	3.0
143.08537	4.6
145.06509	3.5
145.10133	11.4
146.10602	1.6
147.04425	3.7
147.08066	6.4
147.11687	14.5
149.06042	3.2
149.09624	21.7
153.06993	1.9
153.09132	6.2
153.12764	8.8
155.08562	3.5
155.10660	3.4
157.10127	17.1
159.08145	2.1
159.11745	3.1
161.05954	4.3
161.09598	3.7
163.11174	13.6
165.12804	2.0
167.10721	2.5
169.10144	2.1
171.11728	2.2
173.06009	2.1
173.09558	3.5
173.11812	11.0
173.13216	2.5
175.11177	16.8
176.11552	2.1
178.42540	1.6
181.12199	8.1
183.11671	3.4
184.07224	2.4
185.13272	3.7
187.11270	2.0
189.11211	12.3
189.12721	2.3
191.10689	6.3
193.12245	56.3
195.11850	2.4
197.15350	3.2
199.13329	7.1
201.12892	2.7
203.14319	3.0
205.12125	2.8
207.11736	2.0
209.11713	11.2
211.11270	2.8
211.13278	39.8
211.15184	3.2
213.12770	1.7
217.12349	2.3
217.14339	2.4
219.13785	3.2
223.13277	3.9
225.14803	10.9
226.59338	2.0
227.12753	17.6
229.14340	34.2
231.13879	4.2
233.15352	1.6
235.13335	4.1
241.14395	3.1
247.13307	7.3
249.14796	13.5
259.13196	3.8
262.23642	2.3
267.15909	53.5
268.16290	4.2
273.14801	3.5
283.15454	10.7
309.17221	2.0
315.18088	3.3
319.20956	1.7
337.21646	6.1
355.22739	8.0
365.20929	10.3
373.23721	5.6
383.22122	23.5
401.23239	14.6
402.23499	2.3
403.25021	1.7
415.24588	3.0
421.25818	26.0
433.25864	7.5
447.27493	2.8
457.25842	7.3
459.26831	2.5
475.26874	19.6
476.27203	2.7
479.29932	2.0
489.28345	2.8
493.27823	5.8
507.29626	14.9
525.30542	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	14.1
55.05264	3.2
55.05509	33.0
57.03438	16.6
58.90303	1.7
61.02895	2.8
65.03951	3.9
67.05505	69.3
69.03426	13.2
69.07066	24.2
69.73199	10.2
71.04987	11.6
77.03934	2.0
79.05492	59.3
80.05823	3.0
81.03419	67.3
81.07054	82.0
82.07396	2.1
83.04987	27.2
83.08618	27.4
85.02908	23.1
85.06535	7.9
91.01574	2.1
91.05478	83.5
92.05775	2.5
92.97582	2.0
93.06467	3.5
93.07043	56.1
95.04971	37.5
95.08035	2.7
95.08608	28.1
97.02879	6.0
97.06502	10.6
97.10161	5.0
98.22623	2.1
99.04432	2.5
99.08102	1.9
103.05501	2.2
105.04449	2.3
105.07028	72.0
106.07333	3.1
107.04962	16.9
107.08589	43.9
109.02839	1.8
109.06506	13.9
109.10153	47.4
111.04433	3.3
111.08076	11.8
113.06005	4.7
115.05418	2.7
116.06165	2.0
117.07018	9.4
119.04958	2.3
119.08574	35.5
121.06512	8.3
121.10114	15.0
123.08072	6.4
123.11697	8.7
125.00055	1.9
125.09655	4.1
127.07578	2.9
128.06198	3.3
129.07014	16.1
131.08556	21.4
133.06502	8.7
133.10123	78.8
134.10477	2.8
135.08075	5.5
135.11681	6.9
137.09589	5.3
142.07774	4.3
143.08557	2.9
145.10107	13.6
147.08025	6.0
147.11673	19.6
149.09586	11.5
151.11163	30.2
157.10083	15.8
159.08034	4.0
159.11658	4.1
161.09621	8.5
163.11166	8.6
165.12849	3.7
169.12234	5.9
171.11690	2.6
175.11157	16.0
177.09027	2.1
177.12741	2.4
179.10800	2.0
184.07335	5.5
185.13315	2.7
189.12814	2.1
193.12239	43.3
211.13287	64.1
212.13713	2.0
215.12799	5.7
217.11909	2.0
227.12723	3.7
233.66100	1.9
245.19026	4.9
253.14330	100.0
254.14655	5.2
255.17697	2.9
263.20026	3.1
267.15875	22.8
271.15381	4.9
273.18454	26.9
275.20020	8.5
283.15414	12.2
285.16956	49.5
286.17331	3.4
291.19577	36.0
309.20657	2.3
347.22183	11.9
349.23648	4.4
365.23199	34.9
366.23615	3.9
463.26855	21.6
479.26483	2.4
481.27942	26.9
539.33746	3.7
557.34662	25.5
558.34784	4.7
575.35687	55.5
576.35828	6.2
772.43707	7.0
773.41901	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	19.7
55.05509	43.5
57.03439	21.0
59.04970	2.9
61.02918	7.3
65.03936	5.2
67.05502	78.8
69.03418	12.1
69.07064	40.2
69.21967	18.0
71.04990	12.8
73.02908	4.5
79.05492	74.9
81.03415	65.8
81.07054	90.5
83.01356	3.4
83.04977	30.6
83.08617	33.5
85.02908	29.9
85.06532	3.7
91.05479	75.1
91.50307	3.1
92.05779	3.6
93.07040	71.5
93.07619	3.6
95.04968	36.8
95.08601	33.1
97.02871	11.8
97.06512	12.8
97.10156	20.3
99.04452	2.9
99.08080	3.5
99.33223	2.1
105.07027	58.0
107.04954	25.6
107.08596	47.7
109.06509	12.0
109.10144	25.0
111.04432	4.9
111.08083	14.3
117.07033	12.8
119.04910	2.9
119.08583	35.1
120.08929	2.7
121.06507	12.0
121.10143	23.5
123.08057	11.5
123.11720	7.8
125.09637	13.0
128.06262	2.6
129.06993	16.7
129.14580	2.4
131.08557	28.8
133.06473	8.3
133.10117	35.7
135.08064	9.8
135.11684	15.5
137.09589	4.1
141.06889	2.4
142.07776	4.9
143.08557	7.6
145.10117	19.0
147.08046	11.1
147.11679	20.6
148.00389	2.6
149.09558	13.3
149.13217	5.6
151.11209	12.1
153.09171	2.8
153.12709	2.6
155.08549	3.1
157.10121	17.7
159.11705	5.9
161.09660	5.6
161.13257	4.0
163.11180	19.8
165.09142	2.7
165.12752	4.2
171.10306	2.5
171.11739	6.1
173.04448	2.7
173.09613	3.7
173.13397	3.0
173.36102	2.5
175.11134	18.8
177.12778	4.1
183.11597	2.9
189.11249	5.6
191.10654	3.6
193.12230	36.1
205.12013	2.8
209.11650	5.2
211.13269	60.4
211.15154	3.6
223.13289	15.4
227.12756	17.1
245.19141	4.2
249.14941	4.4
251.40678	2.7
253.14354	23.3
267.15891	30.7
269.17459	8.2
273.18497	25.5
275.20023	15.1
283.15396	46.7
285.16956	52.5
291.19534	100.0
292.19922	5.8
347.22034	7.3
349.23712	15.4
365.16306	3.5
365.23187	43.9
366.23450	4.7
373.68198	2.4
463.26840	12.0
477.28372	40.7
539.33588	4.0
557.34692	44.9
558.34985	6.6
575.35718	61.7
576.35852	7.6
588.31366	2.5
772.44495	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	12.3
55.05514	34.5
55.31770	1.4
57.03441	20.8
57.07079	4.6
59.04997	2.9
60.08166	1.7
61.02923	6.7
65.03939	4.8
67.05505	97.7
69.03431	5.5
69.07072	22.7
69.93852	6.0
70.58750	1.3
71.01342	5.8
71.04990	10.7
71.07365	2.5
73.02911	1.6
79.05490	85.8
80.05840	1.7
81.03415	40.7
81.07057	87.0
82.07378	1.7
83.01328	3.2
83.04978	20.0
83.08624	14.2
85.02914	13.9
85.06539	7.0
86.09715	21.4
87.04483	1.8
90.28069	1.4
91.03969	2.0
91.05480	47.9
93.07044	85.5
94.07370	3.7
95.04967	21.3
95.08604	68.1
96.08971	2.0
97.02901	18.6
97.06535	18.4
97.10162	7.7
98.22907	3.7
98.98495	1.7
99.04442	3.0
105.03428	1.6
105.04504	2.5
105.07032	31.5
106.07377	1.6
107.04947	23.1
107.08599	48.4
108.08939	1.8
109.06522	16.9
109.10151	24.0
111.04436	43.3
111.08075	6.2
112.04737	1.7
113.06016	4.3
115.05431	2.4
117.07021	22.6
119.08584	31.4
121.06504	13.2
121.10145	37.4
123.04398	2.2
123.08079	10.1
123.11703	4.3
124.99991	11.1
125.05993	10.6
125.09641	5.3
127.03980	2.2
128.06201	1.7
129.07005	6.5
130.07811	4.2
131.08566	27.3
133.10121	13.5
134.10550	2.3
135.08044	5.1
135.11697	32.1
137.05994	2.9
137.09627	5.1
143.08571	4.6
145.06500	3.4
145.10118	37.2
146.10455	2.6
147.08064	8.2
147.11690	5.1
149.09641	5.6
149.13245	4.4
153.12755	17.4
155.08559	8.1
157.10150	3.0
159.11687	6.6
161.09605	2.4
161.13298	5.6
163.11180	43.2
163.14780	3.5
169.10155	3.3
171.11729	2.4
173.09636	12.4
173.13301	5.9
177.12717	2.0
181.12242	7.0
184.07338	45.4
185.13358	2.0
187.14896	2.2
189.09122	1.9
189.11211	1.8
191.10667	14.0
193.12244	2.4
195.13847	2.3
197.13361	1.7
209.11703	23.1
209.13457	1.4
211.13115	1.6
216.78116	1.4
223.11078	2.3
223.13269	36.0
224.13466	2.1
227.12741	14.0
241.14322	61.5
242.14655	2.6
243.20993	2.3
261.22147	12.0
265.14322	5.0
267.15826	2.1
283.15369	25.3
284.15802	1.5
299.23688	2.9
315.18002	72.0
316.18396	3.6
317.24707	2.4
333.24582	2.5
335.25803	100.0
336.26108	7.0
433.30896	3.5
451.32080	5.2
469.32916	5.0
525.35529	13.8
543.36792	75.2
544.37054	9.3
561.37659	2.2
575.39465	63.2
576.39655	8.2
610.45117	6.9
613.48297	2.0
622.15503	1.6
772.43073	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	8.3
55.05515	27.8
57.03444	15.5
57.07083	2.2
59.04995	2.5
60.08175	1.2
61.02927	4.8
63.27034	0.8
65.03947	4.5
67.05506	76.1
68.05857	1.3
69.03423	3.6
69.07070	21.7
71.01366	3.7
71.04999	7.7
71.08632	1.2
73.02928	1.4
77.03921	1.2
79.05495	64.6
80.05824	1.0
81.02924	1.1
81.03420	29.3
81.07060	69.8
82.07391	1.4
83.01363	2.9
83.04984	15.8
83.08623	11.9
85.02908	10.0
85.06566	4.1
86.09714	11.2
91.03957	1.4
91.05482	38.7
93.07049	68.9
94.07369	2.2
95.04980	13.7
95.08605	50.2
96.08949	1.9
97.02890	11.0
97.06538	15.6
97.10183	2.7
98.22620	1.8
98.23296	3.2
98.98456	1.0
99.04456	3.2
99.08080	1.7
103.05465	2.0
105.04511	2.2
105.07031	25.5
107.04957	16.6
107.08596	34.4
108.08941	1.3
109.02887	1.4
109.06522	11.2
109.10155	19.1
109.62540	0.9
111.04446	26.9
111.05202	1.6
111.08079	5.2
113.06002	2.1
115.05481	1.7
117.07018	16.7
119.08582	25.8
120.08929	2.1
121.06503	8.7
121.10148	29.9
121.11026	1.8
122.10535	1.1
123.04432	1.0
123.08076	7.1
123.11706	5.7
124.99995	6.6
125.05989	7.3
125.09634	3.5
128.06160	1.2
129.07040	5.1
130.07822	2.6
131.04941	1.6
131.08574	19.2
133.10132	8.8
135.08084	4.5
135.11699	22.6
136.11964	0.9
137.05951	1.4
137.09648	3.5
137.13274	2.0
139.07549	1.5
143.08577	2.5
145.06474	1.4
145.10121	26.7
146.10435	1.3
147.08086	4.6
147.11722	5.2
149.09633	2.0
149.13258	4.1
153.12738	7.8
155.08568	3.9
157.10094	1.6
159.11729	5.0
161.09669	1.3
161.13280	3.8
163.11191	28.7
163.14856	2.2
164.11534	1.8
167.14284	1.5
169.10147	1.2
171.11650	1.0
173.09631	7.3
173.13284	3.2
175.14862	1.5
181.12267	6.1
184.07346	30.9
185.13272	1.2
187.14853	2.0
189.11273	1.3
191.10686	7.5
193.12239	0.9
195.11711	1.6
195.13872	1.5
201.16417	1.3
205.12247	1.2
209.11690	12.6
210.11932	1.2
223.13280	17.3
223.15308	1.2
227.12796	8.2
237.46336	0.9
241.14346	29.2
243.21100	2.3
259.20612	2.1
261.22150	9.6
264.10559	0.8
265.14380	7.1
275.89093	0.9
283.15408	18.6
284.15851	1.8
297.16974	2.3
299.23611	1.6
315.18027	45.6
316.18365	2.3
317.24902	1.4
333.24258	1.6
335.25803	100.0
336.26114	6.8
433.31003	1.6
451.32278	2.4
469.33160	2.0
525.35767	7.9
526.36102	1.1
543.36810	56.5
544.37152	7.9
557.38641	1.1
561.37115	1.6
575.39441	83.5
576.39777	12.6
610.45404	2.8
772.43616	1.4
773.43793	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.3
57.07073	0.6
58.06605	0.5
59.46973	0.4
60.08164	5.8
67.05503	0.7
69.07063	0.7
71.07375	3.5
71.08633	0.4
71.31269	0.5
79.05482	0.5
81.07059	1.0
86.09709	31.5
94.65215	0.4
95.08611	0.8
98.98478	4.7
104.10738	1.8
105.07069	0.8
107.08586	0.6
121.10160	0.5
125.00007	23.1
145.10078	0.5
168.38074	0.4
178.50917	0.5
184.07347	100.0
185.07700	2.1
215.95766	0.4
348.25989	0.6
405.43826	0.4
571.22711	0.8
575.77063	0.6
754.54175	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38676	0.1
55.05510	0.3
56.05027	1.0
56.05259	0.1
57.03426	0.2
57.07066	0.5
58.06602	0.3
59.07367	0.2
60.08164	6.0
67.05497	0.6
69.07057	0.3
69.18954	1.3
70.06599	0.2
71.07377	3.8
71.08637	0.3
79.05498	0.4
81.07047	0.9
83.08612	0.2
86.09705	31.5
87.10034	0.4
91.05480	0.3
93.07043	0.5
94.07378	0.2
95.08599	0.7
96.08996	0.2
97.69118	0.2
98.22637	0.3
98.23315	0.4
98.98463	3.6
98.99108	0.2
104.10739	3.0
105.07062	0.2
107.08582	0.2
109.10195	0.3
114.83518	0.1
121.10128	0.2
123.16210	0.1
125.00002	21.9
125.54563	0.2
126.00352	0.1
141.68974	0.2
143.01070	0.3
184.07339	100.0
185.07724	2.0
313.27216	0.7
314.27713	0.5
315.27951	0.3
335.25967	0.2
336.26181	0.4
496.34216	0.2
546.02960	0.2
575.49506	0.2
754.53662	0.4
772.54871	6.3
773.55322	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.2
57.07079	3.8
58.06599	0.4
59.83667	0.2
62.06081	0.3
67.05510	0.4
67.19407	0.2
67.65132	0.2
68.41805	0.2
69.07063	0.2
70.06596	5.9
71.06923	0.2
71.08631	1.6
71.31001	0.2
74.06110	0.3
82.63881	0.2
85.10167	0.7
88.07635	8.8
91.05473	0.2
93.07008	0.2
100.21405	0.2
102.09180	2.7
105.07069	0.3
106.08671	4.9
107.27056	0.2
117.06998	0.2
130.12260	0.2
131.00847	0.2
145.10095	0.3
177.12651	0.2
211.13300	0.2
212.23747	2.4
230.24828	0.7
244.37675	0.2
256.26367	4.1
257.26639	0.2
274.27402	100.0
275.27765	6.2
427.82352	0.2
557.34540	0.3
646.89105	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.4
57.07077	2.7
58.06611	0.3
70.06592	6.0
70.46394	0.9
71.08632	1.4
83.13680	0.3
85.10200	0.6
88.07630	9.0
93.27170	0.3
102.09177	2.6
106.08665	5.3
159.87013	0.3
212.23767	1.2
230.24866	0.6
256.26358	4.9
271.68536	0.3
274.27396	100.0
275.27750	6.3
457.85495	0.3
478.29163	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.2
61.02930	1.7
62.55140	0.3
63.95519	0.3
68.99788	0.5
69.03427	0.5
70.75259	0.2
71.04995	9.6
71.28959	0.4
71.29337	0.3
73.02911	0.8
81.03424	0.3
82.79282	0.3
83.04957	0.8
85.02906	12.2
87.04457	0.3
91.03957	0.7
93.03448	0.3
93.41886	0.2
96.15559	0.3
97.02914	1.2
99.05788	0.3
109.02897	0.6
111.00800	0.9
111.04419	0.6
121.02862	1.0
123.04397	0.3
127.03894	0.9
129.05467	2.8
137.02339	2.7
137.03296	0.4
145.04971	0.4
147.04419	0.4
147.06516	0.8
149.02344	0.4
153.01836	2.3
161.05984	0.4
163.03879	0.7
163.06065	0.3
165.01854	1.6
166.02518	0.3
173.06053	0.4
179.03471	0.3
183.02928	0.7
184.59302	0.3
201.05463	1.5
229.04950	3.4
247.06006	0.7
257.04422	2.2
274.04825	0.7
275.05505	0.4
285.03955	1.1
287.05484	0.9
303.04980	100.0
304.05313	5.1
345.06033	0.4
369.06046	0.6
447.09293	0.3
449.10651	0.7
465.10287	18.8
466.10519	1.6
612.60956	0.3
801.14398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.213
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
57.03438	1.2
61.02930	1.7
62.55140	0.3
63.95519	0.3
68.99788	0.5
69.03427	0.5
70.75259	0.2
71.04995	9.6
71.28959	0.4
71.29337	0.3
73.02911	0.8
81.03424	0.3
82.79282	0.3
83.04957	0.8
85.02906	12.2
87.04457	0.3
91.03957	0.7
93.03448	0.3
93.41886	0.2
96.15559	0.3
97.02914	1.2
99.05788	0.3
109.02897	0.6
111.00800	0.9
111.04419	0.6
121.02862	1.0
123.04397	0.3
127.03894	0.9
129.05467	2.8
137.02339	2.7
137.03296	0.4
145.04971	0.4
147.04419	0.4
147.06516	0.8
149.02344	0.4
153.01836	2.3
161.05984	0.4
163.03879	0.7
163.06065	0.3
165.01854	1.6
166.02518	0.3
173.06053	0.4
179.03471	0.3
183.02928	0.7
184.59302	0.3
201.05463	1.5
229.04950	3.4
247.06006	0.7
257.04422	2.2
274.04825	0.7
275.05505	0.4
285.03955	1.1
287.05484	0.9
303.04980	100.0
304.05313	5.1
345.06033	0.4
369.06046	0.6
447.09293	0.3
449.10651	0.7
465.10287	18.8
466.10519	1.6
612.60956	0.3
801.14398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.2
55.05516	3.9
57.03441	2.0
57.59975	0.4
61.02928	3.5
62.37101	0.4
62.83890	0.4
65.03934	0.7
65.48138	0.4
66.63652	0.4
67.05505	6.7
68.05854	0.6
69.03425	3.2
69.07067	4.0
69.55024	2.3
71.01364	0.5
71.05009	0.7
73.02921	3.0
79.05496	8.6
80.05833	0.5
81.03409	2.8
81.07068	5.5
83.05003	1.6
83.08629	1.6
84.46954	0.5
85.02905	3.8
91.03973	1.6
91.05478	6.4
93.07047	6.1
95.04970	2.1
95.07585	0.5
95.08591	3.1
96.08945	0.5
97.02898	5.1
97.06540	0.8
97.10178	2.0
99.04451	0.7
100.74529	0.4
101.02400	1.2
105.07028	4.2
106.07382	0.5
107.04996	1.0
107.08607	3.2
109.02928	0.9
109.06536	0.6
109.10189	1.9
117.07073	1.3
119.08555	2.9
121.06562	0.7
121.10130	1.1
123.08086	0.9
125.00015	0.5
125.09636	1.3
127.03952	1.2
129.05531	0.5
129.07031	1.4
131.08582	1.5
133.10168	1.7
135.08064	0.7
135.11736	0.9
143.08595	1.3
145.10133	1.2
147.11732	1.8
149.09650	0.8
155.08553	0.7
157.10184	0.7
159.11739	0.9
163.11183	0.9
171.11731	1.1
183.06676	0.4
184.07257	2.5
193.93770	0.4
223.13361	1.8
243.08379	3.6
247.13069	0.8
261.22513	0.6
275.20117	0.5
283.15472	0.9
291.19592	2.0
299.14954	0.7
325.17593	0.5
331.19000	1.0
335.25989	1.0
381.20215	0.6
401.80756	0.6
465.20938	7.1
466.21341	0.7
469.26193	0.5
473.26331	0.6
537.23676	0.5
541.35498	0.6
549.26691	6.5
559.36121	0.7
770.07947	0.5
773.40704	100.0
774.41003	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.3
55.05512	35.1
55.30532	4.6
57.03432	18.7
57.07070	11.5
61.02925	18.0
65.03954	7.3
65.10619	4.5
67.05504	91.4
67.05844	9.2
69.03436	7.6
69.07068	28.8
69.20284	5.5
71.04989	5.7
71.08646	7.7
73.02933	8.1
74.94726	5.1
79.05495	62.9
81.03408	6.4
81.07058	96.6
83.04993	9.9
83.08629	20.3
85.02906	13.4
85.06539	7.7
86.09711	21.7
91.03955	7.7
91.05480	61.1
93.07040	65.2
95.04993	11.8
95.08614	69.9
97.02895	14.7
97.06483	6.5
97.10190	10.0
97.46372	4.9
98.98467	5.5
105.07026	61.4
107.08605	49.2
109.06540	7.0
109.10163	36.7
117.07043	25.1
119.08576	52.1
121.10153	40.5
123.11718	10.8
125.00027	16.8
128.06319	4.8
129.07039	8.3
131.08542	40.4
133.10115	49.0
135.11699	28.4
143.08577	16.8
145.10120	35.3
147.11716	42.6
149.13245	14.9
155.08542	6.8
157.10132	15.3
159.11665	26.4
161.13261	27.8
169.10219	8.6
171.11723	12.9
173.13214	26.0
175.14838	10.8
183.11797	7.8
184.07329	100.0
184.08887	5.4
185.13304	14.2
187.14909	8.3
195.11612	5.4
199.14833	12.5
201.16293	7.7
203.18011	7.1
209.13315	5.0
231.20956	8.0
241.19577	16.9
257.19070	8.2
259.20575	48.4
261.21909	6.8
313.27405	15.9
314.27689	9.3
315.23218	7.0
333.24261	27.9
335.25809	60.9
337.27386	16.3
338.27625	8.7
367.18863	9.0
465.25571	5.7
519.41986	7.5
571.22913	19.0
576.51007	14.2
593.45941	8.4
611.46802	90.1
612.46741	18.8
773.50281	16.6
773.63635	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62871	2.3
55.01884	16.0
55.05268	4.3
55.05515	41.4
57.03444	32.2
60.67705	2.5
61.02925	6.8
65.03955	5.1
67.05510	94.4
67.97704	2.6
69.03428	15.1
69.07076	40.6
69.66228	13.5
70.15971	3.1
71.04992	11.9
79.05499	94.6
81.02934	3.6
81.03423	97.0
81.07062	100.0
82.07413	3.3
83.04984	34.8
83.08612	38.1
85.02912	39.8
85.06535	5.6
91.05483	88.9
93.07045	68.8
94.07366	3.5
95.04968	46.1
95.08611	50.1
97.02899	11.3
97.06538	22.2
97.10196	15.0
98.23320	4.8
99.04482	4.2
105.07035	71.6
107.04952	19.9
107.08597	37.4
109.02924	5.1
109.06535	11.3
109.10159	12.6
111.08073	14.2
113.05995	3.5
115.05476	4.7
117.07024	17.4
119.08575	48.0
121.06528	10.3
121.10154	24.4
122.38066	2.8
123.08067	8.8
123.11733	5.3
125.09650	10.6
127.03939	5.2
129.07013	20.8
131.08574	36.3
133.06473	4.6
133.10144	31.7
135.08064	7.9
135.11700	11.3
137.09624	4.1
142.07848	3.4
143.08527	4.9
145.10092	15.3
147.08063	6.8
147.11705	27.1
149.09637	27.0
149.13274	10.9
151.11171	3.2
157.10123	26.1
159.11679	12.5
161.13284	4.7
163.11188	8.6
165.12830	6.5
169.10172	3.2
171.11652	4.4
173.04437	4.4
173.13324	5.3
175.11182	20.7
175.14789	3.0
177.12753	4.5
179.14314	5.4
183.11659	6.1
188.19609	2.9
189.11227	5.6
193.12245	59.1
193.14008	3.4
195.13756	4.1
207.17340	3.0
211.13306	83.9
212.13538	5.3
218.47208	3.1
220.06715	3.0
221.37482	2.9
227.12801	8.9
249.14899	3.6
253.18135	3.7
255.15926	7.3
257.19110	12.3
267.15887	36.9
268.16254	3.0
269.17456	25.1
275.20120	31.6
276.20691	3.8
285.16965	70.5
286.17249	6.0
293.21243	2.9
331.22675	4.5
349.23676	28.5
350.23712	3.5
351.51318	2.8
367.24728	3.3
415.66885	2.9
447.27338	10.6
455.26062	3.7
461.28967	22.4
465.28601	16.6
466.28790	4.3
479.30026	60.4
480.30392	6.8
541.35028	10.1
559.36279	34.8
577.37195	7.3
623.34296	4.3
640.80194	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	9.6
55.05516	37.3
57.03441	22.8
57.07074	2.8
57.54007	2.2
57.68842	2.3
59.04989	3.1
61.02926	4.8
65.03912	4.8
67.05508	82.4
69.03429	9.3
69.07069	31.3
69.20277	16.8
71.04981	12.4
73.02906	2.1
79.05496	73.1
79.59133	2.3
80.05851	3.0
81.03421	77.0
81.07061	100.0
83.04984	24.9
83.08629	34.2
85.02913	30.6
85.06548	5.2
91.05481	80.9
92.05826	3.7
93.07050	75.5
94.94662	2.7
95.04980	37.2
95.08613	40.5
97.02891	8.5
97.06528	19.1
97.10176	8.5
98.22667	4.7
98.23330	4.5
99.04448	3.1
99.08095	3.6
105.07039	50.3
107.04958	15.5
107.08592	39.9
109.02859	2.7
109.06532	11.6
109.10144	11.8
111.04453	3.8
111.08114	18.7
113.06018	3.8
113.99241	2.2
115.05456	3.5
117.07019	16.3
119.08578	38.4
121.06518	5.8
121.10144	21.8
123.08083	4.4
123.11697	7.6
125.09606	8.0
127.03974	2.5
129.07008	18.3
131.08578	31.3
133.06480	6.9
133.10147	36.6
135.11694	17.4
137.09653	5.8
142.07796	4.5
143.08504	2.9
145.10139	15.6
147.08009	5.0
147.11668	26.9
149.09647	17.8
149.13286	13.5
151.11206	4.7
155.08603	2.4
157.10138	24.3
159.11662	17.2
161.13269	2.9
163.11185	8.6
165.12772	6.2
169.10208	2.7
171.11723	4.1
173.04385	4.3
173.13242	4.5
175.11201	18.1
177.12714	2.9
184.07335	4.0
189.11165	2.3
193.12262	56.7
194.12538	2.7
195.13823	8.5
211.13284	74.0
211.15160	4.8
212.13644	3.9
227.12740	5.4
228.86575	2.2
229.14433	2.5
231.29822	2.1
247.20566	3.3
255.15945	13.8
257.19022	6.7
267.15906	37.0
269.17468	47.5
275.20081	29.4
276.20392	2.6
285.16992	61.9
286.17517	3.5
349.23715	26.8
367.24463	3.5
439.27026	4.1
443.27670	2.9
447.27435	8.4
461.28937	31.1
462.29303	3.1
465.28558	17.9
479.30054	92.5
480.30298	10.2
541.34808	9.2
559.36377	21.8
560.36334	3.5
577.36926	6.0
601.79071	2.7
623.33826	3.5
775.38098	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	8.5
55.05511	35.3
57.03439	27.0
57.07077	2.9
59.05001	2.1
61.02919	6.0
65.03938	5.8
66.94601	1.6
67.05505	77.6
67.23428	1.8
67.50309	1.7
68.05834	2.5
69.03431	12.7
69.07066	29.3
69.17733	9.0
69.18150	4.6
71.04987	9.2
71.08620	2.0
73.02916	2.1
77.03917	2.1
79.05495	81.7
80.05809	2.0
81.03418	66.7
81.07058	78.4
83.04978	21.8
83.08616	27.0
83.81762	2.1
85.02905	26.6
85.06551	5.2
87.04440	1.8
91.03963	2.3
91.05481	100.0
92.05817	4.4
93.07048	65.8
93.07626	4.1
94.07413	2.9
95.04980	35.2
95.05566	3.5
95.08604	37.2
96.08920	2.0
97.02885	10.3
97.06541	12.5
97.10190	11.8
98.22624	3.5
99.08088	5.8
103.05470	2.3
105.04542	2.3
105.07031	77.2
106.07343	2.2
107.04948	14.2
107.08599	33.2
107.09290	2.9
109.02855	1.7
109.06525	11.5
109.10163	18.8
111.04471	6.9
111.08076	13.7
115.05491	3.5
116.41639	1.9
117.07018	20.6
119.04955	2.2
119.08576	60.1
120.09011	3.3
121.06529	4.6
121.10152	26.7
123.08073	7.7
123.11755	4.8
125.08822	2.0
125.09628	10.1
127.03928	3.6
128.06245	4.4
129.05493	9.5
129.07011	23.2
131.08572	31.0
133.06470	4.3
133.10130	49.0
135.08092	4.0
135.11662	15.2
137.09616	5.3
141.06990	3.2
142.07796	7.4
143.08603	11.2
145.10107	21.1
147.08054	5.7
147.11688	39.9
148.11966	2.8
149.09627	12.3
149.13258	11.7
151.11203	2.9
155.08540	3.6
157.10118	25.2
159.11702	20.3
161.13269	11.5
163.11198	6.4
165.12813	5.3
169.10188	5.1
171.11655	8.5
173.13239	10.2
175.11172	15.6
175.14896	6.9
177.02168	1.7
177.12782	3.7
179.14313	2.2
183.11714	3.6
184.07384	5.3
185.13304	6.1
189.12857	2.4
193.12231	58.3
194.12634	3.1
195.13747	4.3
197.09782	1.7
197.13382	2.1
199.14906	3.1
207.13805	2.5
211.13297	58.4
212.13609	4.3
213.16476	1.9
227.12785	4.9
229.14127	1.9
231.21080	2.6
239.17982	2.2
241.19543	12.8
257.19073	4.3
259.20584	39.7
264.33493	2.0
267.15906	22.4
269.17438	9.6
275.20007	9.9
276.20389	2.0
283.15634	2.8
285.16962	47.0
286.17331	3.8
293.21118	8.2
295.31714	2.5
301.16458	6.3
306.35440	2.7
315.23242	5.1
333.24231	33.6
334.24518	1.9
349.23874	8.5
451.31726	3.6
461.29019	3.4
477.27444	2.1
479.29858	14.8
525.35583	8.4
543.36890	20.7
544.37195	4.0
559.36047	7.9
577.37360	4.5
775.41949	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.7
55.05265	2.5
55.05510	29.9
57.03433	14.2
60.08170	2.1
61.02910	3.5
65.03947	4.0
67.05502	61.5
69.03444	7.4
69.07067	22.5
71.05013	7.2
71.05343	1.7
77.03951	1.4
79.05493	55.4
80.05851	1.5
81.03417	64.4
81.07056	100.0
83.04974	19.1
83.08620	38.8
83.51012	1.4
85.02903	27.2
85.03384	1.1
85.06522	4.2
86.09718	7.9
91.05480	66.6
92.05816	2.3
93.07040	46.5
95.04969	37.3
95.08607	30.7
97.02906	7.3
97.06540	16.2
97.10138	10.0
99.04421	2.4
99.08089	5.0
101.52853	1.6
103.05448	1.5
103.57043	1.4
105.04444	1.4
105.07029	50.1
106.07375	2.5
107.04962	15.0
107.08591	27.8
109.06524	24.2
109.10156	11.9
111.04458	5.2
111.08074	11.5
113.06024	2.6
117.07011	12.3
119.08584	35.8
121.06495	6.4
121.10136	19.9
123.08068	9.8
123.11691	6.1
124.99992	4.1
125.09652	3.7
127.03916	2.4
129.06990	11.6
131.08568	25.5
133.06503	4.1
133.10136	24.9
135.08069	6.3
135.11684	9.1
137.09627	5.7
142.07753	2.6
143.08537	3.4
145.06432	1.8
145.10126	14.8
147.08046	5.7
147.11682	29.4
149.09641	12.0
149.13292	9.7
151.11209	2.9
157.10123	17.5
159.11710	11.3
161.09618	3.3
161.13268	2.8
163.11198	9.1
163.14825	2.9
165.12756	8.0
169.10164	1.9
171.11658	3.8
173.09570	1.9
173.13266	5.0
175.11205	16.2
175.14719	2.2
177.12758	3.8
181.12317	2.3
184.07347	23.0
187.11159	2.5
191.10608	1.8
193.12244	40.8
195.11749	1.6
197.13235	2.2
200.15738	1.5
211.13283	50.6
212.13710	1.8
223.13254	4.0
227.12762	3.7
227.66713	1.7
229.19519	2.9
247.20509	4.1
255.15894	1.9
257.19019	6.2
267.15891	37.6
268.16153	2.0
269.17511	11.7
273.18436	2.3
275.20053	46.5
276.20670	3.3
285.16953	69.9
286.17285	3.0
291.19476	2.9
293.21097	11.2
318.21594	1.5
349.23700	33.2
350.24231	2.4
367.24783	23.2
395.23685	1.9
433.29401	1.6
449.05646	1.7
449.30157	1.6
461.28757	5.1
465.28140	2.8
467.31680	2.6
479.29889	13.3
541.35138	35.9
542.35437	5.3
559.36188	55.1
560.36310	6.1
577.37317	37.6
578.37408	4.2
775.37903	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64137	1.6
55.01874	2.4
55.05512	21.6
57.03437	24.3
64.76034	1.6
67.05507	66.1
69.03426	2.3
69.07069	16.4
69.19248	14.9
69.19574	2.3
71.04982	3.4
71.58513	1.9
72.53981	1.5
79.05493	52.8
80.00688	1.6
81.03419	95.0
81.07055	67.4
82.03729	2.3
83.04992	7.7
83.08617	24.4
85.02908	3.2
85.06548	3.0
91.05481	39.1
93.07042	55.9
93.07625	3.0
94.07352	2.0
95.04964	31.0
95.08605	44.1
97.02884	2.8
97.06521	3.1
97.10154	8.3
97.60270	1.6
98.22886	6.9
99.43638	1.6
105.07027	31.0
107.04988	7.3
107.08599	27.4
109.06503	4.2
109.10158	21.4
111.08086	8.6
111.11680	1.7
115.05505	2.2
117.07027	9.9
119.08582	26.7
121.06559	3.9
121.10141	25.7
123.04391	2.4
123.08067	4.2
123.11709	6.1
125.09663	4.0
129.07040	10.0
131.08571	20.6
133.06474	3.9
133.10121	16.2
135.11710	14.6
137.09639	3.8
143.08629	2.3
143.58710	1.7
145.10103	9.1
147.08043	2.2
147.11687	19.4
149.09589	5.6
149.13280	7.4
157.10114	11.1
159.11728	7.9
161.13293	7.4
163.11168	2.9
163.14847	3.8
165.12715	1.9
171.11769	3.3
173.13286	7.2
175.11229	6.4
175.14873	3.7
177.16367	2.9
187.14867	4.9
189.11227	2.9
193.12242	22.7
205.15857	1.9
211.13303	2.7
227.12843	7.5
243.21162	6.1
249.14990	2.1
261.22116	26.2
267.15906	100.0
268.16272	3.3
301.25317	5.5
309.17038	2.8
317.24857	2.8
335.25809	89.5
336.26239	6.1
435.32626	4.6
453.33575	6.7
509.36337	2.3
527.37354	61.5
528.37500	6.9
545.38391	39.1
546.38635	5.3
559.40308	2.4
569.38208	3.4
570.38660	2.0
581.42303	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05764	0.2
56.05041	0.6
58.06604	0.6
60.08168	5.6
67.05487	0.4
69.07039	0.4
71.07363	3.0
73.41356	0.3
77.65708	0.3
81.07059	0.6
86.09706	27.0
87.10030	0.8
91.05463	0.4
93.07034	0.5
95.08609	0.5
98.98458	2.6
104.10752	2.0
125.00005	17.4
126.00369	0.3
131.08543	0.3
135.66171	0.3
147.11691	0.4
158.15251	0.3
184.07341	100.0
185.07687	2.8
186.07816	0.5
203.17935	0.3
209.56349	0.3
263.26245	0.3
340.64221	0.3
756.55255	4.0
757.55487	0.6
775.52332	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
56.05031	0.9
57.07065	0.2
58.06629	0.4
60.08164	7.6
67.05508	0.7
69.07063	0.4
71.07377	5.1
78.42663	0.2
79.05495	0.3
81.07051	0.7
83.08608	0.3
86.09705	37.9
87.10048	0.7
91.05479	0.5
93.07072	0.5
95.04972	0.2
95.08619	0.6
98.22997	0.9
98.98465	5.2
104.10744	2.4
105.07023	0.2
107.08600	0.2
109.91010	0.2
125.00003	26.8
131.12515	0.2
134.81818	0.2
143.01051	0.2
184.07338	100.0
185.07726	1.8
194.95818	0.2
270.00772	0.2
293.20981	0.4
328.62903	0.2
578.73132	0.2
603.45874	0.5
756.55145	3.3
757.54834	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77078	0.4
67.26630	0.4
69.08668	3.6
81.39552	0.4
101.13137	0.4
112.10018	0.5
117.49992	0.4
137.05957	0.5
175.03676	26.3
176.04057	0.7
184.88277	0.5
188.04478	1.2
202.06013	0.6
219.06419	1.4
243.74133	0.4
349.10492	0.5
351.12106	0.5
352.12906	1.0
364.12759	0.9
367.11743	0.8
381.13318	0.5
382.13943	1.1
385.12604	4.5
388.21432	0.7
395.14630	3.4
399.14212	5.2
577.20526	0.8
591.22736	0.6
745.28363	1.0
757.26990	0.6
775.29303	100.0
776.29602	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.05513	1.8
57.03446	1.9
59.05012	1.2
61.02927	5.7
65.03938	0.6
66.25541	0.5
67.05504	4.4
69.03423	3.8
69.07062	1.2
69.50790	0.7
71.04993	3.9
71.30829	1.1
73.02925	3.5
79.05490	5.6
79.05914	0.6
79.74117	0.6
80.11985	0.5
81.03410	9.6
81.07055	6.4
83.04995	2.2
83.08627	2.8
85.02909	5.8
85.06577	0.6
86.09693	3.5
87.04456	0.9
87.84496	0.5
91.03956	2.9
91.05481	7.1
92.05830	0.9
93.07038	3.7
95.04964	3.5
95.08637	3.0
97.02876	5.0
97.06558	1.4
97.10177	1.0
101.02393	1.9
103.03970	0.8
105.07030	6.1
107.05009	1.6
107.08628	2.4
109.02902	1.0
109.06548	1.3
109.10198	1.1
111.08121	1.8
117.07070	0.8
119.08598	3.5
121.10132	3.2
123.08068	0.9
125.00040	1.6
125.09716	0.7
127.03983	1.3
129.07056	1.2
131.08623	1.9
133.06552	1.1
133.10159	3.0
142.07780	0.7
147.11664	3.8
149.09669	2.5
157.10190	2.0
163.11356	0.6
165.12769	1.1
175.11253	2.2
184.07326	7.3
185.04411	0.8
193.12254	3.9
211.13405	1.2
214.21878	0.6
243.08366	3.5
246.24324	1.3
247.77014	0.6
262.24008	2.0
265.14340	1.5
267.16092	2.0
275.20132	0.9
279.12262	0.8
283.15164	4.1
285.17059	0.7
339.17813	1.2
350.33508	0.5
451.19519	1.1
483.22232	1.5
497.20209	2.3
501.23090	14.8
502.23862	0.8
515.24658	7.3
557.45013	0.7
594.46265	0.7
671.32983	1.0
699.35858	1.1
715.35229	1.3
743.34686	5.7
744.34229	0.7
757.36053	5.6
775.40820	100.0
776.41187	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
55.05513	3.1
57.03438	1.7
59.15300	0.4
61.02927	5.4
67.05503	6.4
69.03440	2.8
69.04349	2.5
69.04771	1.4
69.07066	2.5
71.04992	0.8
73.02916	3.5
79.05493	7.4
79.05913	0.6
80.71244	0.4
81.00056	0.3
81.03421	2.9
81.07053	6.0
82.37502	0.4
83.04997	1.0
83.08607	0.5
84.61275	0.5
85.02903	5.1
87.04505	0.4
91.03967	2.3
91.05482	5.6
93.07057	5.7
95.04964	2.1
95.08627	2.5
97.02888	3.7
97.06523	0.8
97.10169	0.6
98.23354	1.0
99.04461	0.9
101.02362	2.0
103.03946	0.5
105.07033	4.3
107.04974	1.3
107.08572	2.3
109.02894	0.8
109.06572	0.7
109.10198	1.2
117.07056	1.3
119.08582	2.4
121.06542	0.6
121.10178	0.9
127.03943	1.2
127.23456	0.4
129.07047	1.2
131.08629	1.0
133.10162	1.8
135.11726	0.8
143.08572	0.8
145.05013	0.5
145.10178	1.0
146.29329	0.5
146.83412	0.4
147.11749	1.9
159.11766	0.6
161.13235	0.5
163.11223	0.5
171.11754	1.4
173.13429	0.6
184.07439	0.8
185.04239	0.5
194.99959	0.4
203.05376	0.6
226.62016	0.4
243.08418	2.7
247.13155	1.0
303.19254	0.4
333.20529	1.6
384.48557	0.5
439.19373	1.4
465.20969	8.3
501.18985	0.5
551.28302	6.8
624.87604	0.5
719.35895	0.5
775.42346	100.0
776.42706	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
55.05514	3.0
57.03442	2.3
59.66451	0.3
60.71058	0.3
61.02929	5.3
65.03944	0.6
67.05508	7.6
68.05825	0.4
69.03439	3.4
69.07066	2.4
71.01369	0.5
71.05004	1.0
71.30547	0.4
73.02916	3.2
79.05496	7.4
79.05959	0.4
80.05811	0.4
81.03425	3.2
81.07059	8.1
82.07392	0.4
83.04988	1.7
83.08624	1.3
85.02905	6.0
85.06557	0.4
86.09694	0.5
87.04479	0.5
91.03960	2.1
91.05485	7.5
92.05824	0.6
93.07037	7.1
95.04963	2.4
95.08621	3.8
97.02886	4.6
97.06551	1.3
97.10182	0.5
99.04475	1.0
101.02381	1.6
103.03920	0.6
105.04515	0.4
105.06360	0.7
105.07034	6.1
106.14890	0.4
107.04983	1.0
107.08610	3.7
109.02875	0.8
109.06561	0.4
109.10154	1.8
111.08051	0.5
113.40577	0.3
117.07045	1.2
119.08584	3.3
121.06503	0.5
121.10192	1.0
123.08060	0.7
123.11749	0.5
124.99989	0.4
127.03924	2.0
128.06261	0.6
129.05510	0.4
129.06976	1.6
131.08612	1.4
133.10115	2.2
135.08122	0.4
135.11717	1.4
143.08601	0.9
145.05006	0.5
145.10103	1.8
147.11687	3.1
149.13316	0.3
159.11752	0.9
161.09695	0.5
161.13300	0.6
163.11197	0.5
171.11653	1.9
174.88947	0.4
184.07333	0.7
185.04248	0.6
189.12830	0.4
193.12347	0.5
195.13855	0.4
203.05367	0.5
207.13954	0.5
229.14351	0.5
243.08382	3.0
247.13203	1.0
255.15904	0.5
261.15002	0.5
269.17535	0.7
281.17581	0.7
303.15613	0.8
315.02570	0.4
315.19272	0.3
333.20267	2.0
359.98889	0.4
439.19519	0.7
453.21182	1.3
465.20950	11.9
466.21802	0.4
510.73172	0.4
544.37115	0.6
551.28259	3.9
552.28986	0.8
663.33752	0.4
677.35022	0.8
775.42340	100.0
776.42670	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.6
55.05511	8.9
57.03429	7.5
57.11530	2.7
65.03939	4.1
67.05505	22.5
69.03432	27.4
69.07060	10.4
71.04996	5.5
71.32162	4.8
73.02927	5.5
79.05515	15.2
81.03428	29.9
81.07063	32.2
83.04984	5.1
83.08624	4.6
85.02905	63.9
85.10144	3.0
91.05490	17.9
93.07034	30.0
95.04985	13.8
95.08614	63.1
97.02905	40.9
97.06527	4.4
97.10147	2.8
99.04447	41.3
103.03947	56.4
105.07034	36.1
107.08599	32.8
107.56649	3.0
109.02883	28.8
109.06488	6.0
109.10161	17.1
111.04421	4.7
111.08066	5.9
113.06010	4.5
115.03964	3.5
117.07039	5.0
118.03799	2.7
119.08582	48.9
121.06503	6.4
121.10152	27.8
123.08077	10.0
123.11734	14.0
127.03915	100.0
129.07033	5.8
131.08557	21.3
133.06508	6.3
133.10155	33.5
135.08026	6.3
135.11658	17.2
137.09673	4.1
139.03833	3.0
141.07007	4.8
141.09044	3.5
143.08566	10.9
145.04955	29.8
145.10126	19.7
147.08058	8.1
147.11682	18.7
149.09624	3.3
149.13255	5.9
151.07549	4.6
153.09108	3.2
155.08498	8.3
155.49104	2.9
157.10127	16.0
159.08089	5.2
159.11650	18.7
161.09610	11.5
161.13293	22.2
163.06079	15.8
163.07378	3.4
163.36208	3.0
167.07152	4.0
169.10138	10.0
171.11685	11.3
173.09628	8.0
173.13210	18.0
175.11211	10.6
175.14822	10.3
177.09074	3.5
181.12334	3.6
183.11671	8.9
184.07338	4.8
185.09625	4.0
185.13202	10.2
187.06038	11.5
187.14861	7.1
189.12770	4.2
189.16470	5.6
195.11696	4.3
197.13261	7.8
199.11151	3.7
199.14819	5.9
201.12744	5.2
201.16408	5.7
207.11734	2.9
213.12683	4.9
213.16487	3.3
215.14360	8.1
217.15979	5.4
219.13820	6.5
221.15347	8.9
227.14375	4.2
229.15799	5.6
231.13893	4.3
231.17421	3.7
233.15353	11.4
235.16949	21.6
241.19415	3.7
245.15515	3.4
247.16980	10.5
265.15781	4.6
273.18680	3.3
275.20178	5.5
323.16586	3.2
325.18118	3.9
327.23285	3.2
329.24780	3.5
333.01031	2.9
433.31018	9.5
451.32065	10.0
469.33264	21.6
535.33862	3.7
541.32458	4.1
542.04529	3.4
553.34949	5.9
559.34070	7.9
577.35034	11.1
595.36035	11.1
613.37213	6.1
739.39777	8.9
775.39056	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.7
55.05521	7.4
57.03437	4.2
57.07078	1.4
61.02922	4.1
64.98698	1.4
65.03938	3.0
67.05504	23.7
69.03434	21.0
69.07069	7.3
69.30322	2.1
69.30730	9.6
71.04993	9.9
73.02910	5.0
79.05491	14.4
81.03412	27.7
81.07056	31.3
81.07520	1.8
82.07423	1.4
83.04987	6.3
83.08618	4.5
85.02904	66.3
85.06586	1.2
86.09704	1.7
86.15801	1.5
86.61479	1.5
89.39864	1.6
91.05479	16.0
93.07044	31.5
95.04972	10.6
95.08605	59.8
97.02890	32.9
97.06528	6.6
97.10175	2.5
99.04456	49.1
101.02443	1.9
103.03942	59.5
105.07030	30.9
107.04961	3.3
107.08598	35.3
109.02879	27.0
109.06522	5.9
109.10156	19.4
111.04448	2.9
111.08100	4.0
113.06033	4.3
115.03924	2.5
117.07022	5.3
119.08575	42.1
121.06515	7.4
121.10141	23.7
123.04436	2.6
123.08075	9.6
123.11713	9.9
124.99932	1.9
125.05997	1.7
125.09654	4.5
127.03915	100.0
128.04333	2.2
128.06235	2.5
129.07014	4.5
131.08571	17.2
133.06532	2.6
133.10130	27.0
134.10437	1.9
135.08069	5.3
135.11723	13.6
137.06000	2.5
137.09618	3.5
137.13261	2.0
139.07539	4.8
141.06999	1.7
141.09123	5.0
142.07809	4.1
143.08563	11.0
145.04964	40.6
145.06154	2.9
145.10115	23.7
147.08107	7.1
147.11685	20.7
149.05994	2.4
149.09622	3.2
149.13263	5.2
151.07565	4.4
153.09113	3.2
155.08539	6.0
156.09355	3.4
157.10135	15.3
159.08049	6.6
159.11673	19.1
161.09630	10.8
161.13258	23.7
163.06042	10.5
163.07430	2.1
163.11185	2.5
163.14827	3.6
165.09140	3.1
167.10654	2.0
168.09393	1.6
169.05081	2.1
169.10098	8.2
170.10751	1.5
171.11646	9.8
173.09644	6.2
173.13255	11.6
175.11211	6.3
175.14850	7.7
177.09143	6.1
177.12729	2.2
179.10718	4.1
181.10175	2.1
181.12224	2.0
182.10834	2.3
183.11694	8.0
184.07367	8.6
185.09589	3.6
185.13293	5.2
187.06018	10.8
187.11241	4.6
187.14828	7.3
189.12712	3.3
189.16353	7.0
191.10588	3.0
193.10242	1.5
193.12222	2.1
195.11736	5.5
197.09650	2.4
197.13292	7.6
199.11304	2.6
199.14867	5.8
201.12767	3.8
201.16403	4.7
203.14285	3.9
203.18083	1.7
205.12228	2.4
205.15883	1.6
207.11755	2.3
209.13351	3.9
211.11290	2.2
211.14819	4.3
213.12831	2.4
213.16357	4.4
215.14319	5.1
217.12260	1.9
217.15915	7.4
219.13855	6.2
221.13397	3.0
221.15283	10.2
223.14790	3.9
225.12811	2.4
227.14293	2.4
229.15915	4.6
231.13869	3.0
233.15311	12.7
235.14842	2.5
235.16927	16.8
236.17239	1.9
237.12926	1.8
237.16338	2.8
239.14357	1.6
241.15755	1.8
247.14793	1.9
247.16885	9.3
249.18562	1.9
257.15433	1.9
259.16953	1.9
261.18640	2.7
267.17206	1.6
271.08109	6.7
271.16846	1.7
273.18683	3.0
273.83401	1.6
275.20358	1.9
287.20120	2.5
289.09265	3.9
307.10181	2.5
311.23425	2.1
313.21835	1.7
327.23120	2.5
329.24634	2.4
341.24747	2.9
343.19162	1.7
391.26215	1.9
405.31400	2.9
415.29782	1.7
423.32742	4.9
433.31046	11.4
443.31857	2.0
451.32245	11.9
453.29886	2.1
469.33160	23.0
470.33066	2.6
479.31573	1.9
482.91232	1.9
535.33850	2.0
541.32825	4.2
553.34998	4.9
559.33765	7.0
577.35431	9.9
595.36389	7.0
613.36951	7.6
637.36627	1.6
703.38605	2.4
721.38928	3.0
739.40277	6.7
775.39929	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.8
55.05510	7.8
56.05026	0.9
57.03445	5.1
57.07075	0.8
59.05009	0.9
60.08165	6.6
61.02911	1.9
65.03945	1.5
66.20123	0.6
67.05507	44.8
68.05809	0.8
69.03429	3.4
69.07073	11.7
71.05000	15.8
71.07391	4.0
71.08614	0.7
71.31020	0.8
73.02919	1.4
77.66866	0.6
79.05495	23.7
79.05959	1.2
81.03423	6.7
81.06583	1.2
81.07059	24.2
83.04980	5.2
83.08614	6.6
85.02932	3.3
85.06533	2.9
86.09708	33.2
89.06679	0.7
91.05482	18.5
92.05804	0.8
93.07049	22.2
94.07300	0.6
95.01323	0.8
95.04973	5.4
95.08604	14.6
97.02872	2.7
97.06542	6.2
97.10152	2.8
98.98473	4.5
99.04456	1.6
99.08085	1.0
103.03934	1.0
103.05497	0.8
104.10733	3.1
105.07027	11.4
107.04947	2.9
107.08607	12.8
108.08895	0.8
109.06499	2.4
109.10154	23.3
110.10496	1.1
111.08081	2.7
113.09671	1.0
117.07017	6.1
119.08588	12.4
121.06506	1.9
121.10140	6.3
123.08083	1.3
123.11745	1.1
125.00003	20.8
125.09633	2.6
127.03906	2.7
129.06992	1.6
130.07805	0.7
131.08557	5.3
133.10124	7.0
135.08052	2.0
135.11710	9.4
136.12032	0.8
137.09615	6.7
143.08582	1.6
145.06430	0.8
145.10104	5.6
147.11681	3.8
149.09651	3.5
149.13269	3.0
149.65823	0.8
151.11205	1.5
155.10704	1.2
157.10135	1.9
159.11684	4.3
161.09564	0.8
161.13275	1.7
163.11171	3.9
165.12764	1.0
169.12289	1.0
171.11665	1.2
173.11758	3.3
173.13185	1.4
177.12746	1.0
179.14250	0.9
181.12267	1.8
183.11787	0.9
184.07347	100.0
185.07677	1.1
187.13321	1.0
195.13869	1.6
211.13309	1.6
227.12744	2.2
229.14362	1.6
239.17953	0.8
243.15958	1.7
255.15935	2.8
255.64471	0.7
257.19031	2.4
267.15872	1.8
269.17572	1.7
271.15762	0.8
275.20084	8.2
287.18564	8.9
293.21237	1.0
349.23773	5.9
393.27859	0.9
409.25861	3.0
423.27417	11.4
424.27921	1.3
435.27527	6.8
437.28906	3.7
449.28903	6.6
451.26477	0.7
465.32040	0.7
467.30063	2.5
481.31622	13.4
482.32141	1.3
485.32706	1.9
489.32962	0.7
503.33667	13.7
504.33954	1.6
517.35394	1.8
529.35278	6.5
543.28046	0.8
543.36694	2.2
561.37897	5.7
562.38135	0.8
567.31189	1.2
579.39355	1.3
593.32947	1.1
726.43323	9.1
727.43854	1.3
777.40381	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.8
55.05510	7.8
56.05026	0.9
57.03445	5.1
57.07075	0.8
59.05009	0.9
60.08165	6.6
61.02911	1.9
65.03945	1.5
66.20123	0.6
67.05507	44.8
68.05809	0.8
69.03429	3.4
69.07073	11.7
71.05000	15.8
71.07391	4.0
71.08614	0.7
71.31020	0.8
73.02919	1.4
77.66866	0.6
79.05495	23.7
79.05959	1.2
81.03423	6.7
81.06583	1.2
81.07059	24.2
83.04980	5.2
83.08614	6.6
85.02932	3.3
85.06533	2.9
86.09708	33.2
89.06679	0.7
91.05482	18.5
92.05804	0.8
93.07049	22.2
94.07300	0.6
95.01323	0.8
95.04973	5.4
95.08604	14.6
97.02872	2.7
97.06542	6.2
97.10152	2.8
98.98473	4.5
99.04456	1.6
99.08085	1.0
103.03934	1.0
103.05497	0.8
104.10733	3.1
105.07027	11.4
107.04947	2.9
107.08607	12.8
108.08895	0.8
109.06499	2.4
109.10154	23.3
110.10496	1.1
111.08081	2.7
113.09671	1.0
117.07017	6.1
119.08588	12.4
121.06506	1.9
121.10140	6.3
123.08083	1.3
123.11745	1.1
125.00003	20.8
125.09633	2.6
127.03906	2.7
129.06992	1.6
130.07805	0.7
131.08557	5.3
133.10124	7.0
135.08052	2.0
135.11710	9.4
136.12032	0.8
137.09615	6.7
143.08582	1.6
145.06430	0.8
145.10104	5.6
147.11681	3.8
149.09651	3.5
149.13269	3.0
149.65823	0.8
151.11205	1.5
155.10704	1.2
157.10135	1.9
159.11684	4.3
161.09564	0.8
161.13275	1.7
163.11171	3.9
165.12764	1.0
169.12289	1.0
171.11665	1.2
173.11758	3.3
173.13185	1.4
177.12746	1.0
179.14250	0.9
181.12267	1.8
183.11787	0.9
184.07347	100.0
185.07677	1.1
187.13321	1.0
195.13869	1.6
211.13309	1.6
227.12744	2.2
229.14362	1.6
239.17953	0.8
243.15958	1.7
255.15935	2.8
255.64471	0.7
257.19031	2.4
267.15872	1.8
269.17572	1.7
271.15762	0.8
275.20084	8.2
287.18564	8.9
293.21237	1.0
349.23773	5.9
393.27859	0.9
409.25861	3.0
423.27417	11.4
424.27921	1.3
435.27527	6.8
437.28906	3.7
449.28903	6.6
451.26477	0.7
465.32040	0.7
467.30063	2.5
481.31622	13.4
482.32141	1.3
485.32706	1.9
489.32962	0.7
503.33667	13.7
504.33954	1.6
517.35394	1.8
529.35278	6.5
543.28046	0.8
543.36694	2.2
561.37897	5.7
562.38135	0.8
567.31189	1.2
579.39355	1.3
593.32947	1.1
726.43323	9.1
727.43854	1.3
777.40381	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.0
55.05513	44.5
57.03438	18.9
57.07069	2.9
59.05008	3.0
61.02922	5.5
65.03938	3.7
67.05504	100.0
68.05827	2.5
69.03426	3.1
69.07068	16.7
69.07418	1.5
69.11348	3.1
69.11761	2.2
71.01357	1.2
71.04990	5.7
73.02930	2.1
75.58830	0.7
77.03908	1.1
79.05495	47.3
80.05815	1.5
81.03422	6.6
81.07056	61.1
82.07417	1.8
83.04986	6.2
83.08613	14.6
83.88824	0.9
85.02903	16.2
85.06541	3.6
86.09707	1.2
87.04485	6.2
91.03963	2.4
91.05482	27.1
92.05818	1.6
93.07043	43.6
94.07368	1.3
95.04979	6.6
95.08605	43.8
96.08924	1.3
97.02904	4.9
97.06535	5.3
97.10167	20.0
97.10766	1.4
99.04484	1.7
99.08092	1.9
103.03961	2.3
105.04520	1.9
105.07029	14.8
107.04974	2.4
107.08591	28.7
108.09019	0.8
109.06525	2.7
109.10155	57.4
110.10497	1.7
111.04473	1.1
111.08085	3.2
113.06061	0.9
117.07012	7.9
119.08575	18.1
121.06538	1.1
121.10143	23.0
123.08076	2.7
123.11709	4.4
125.00047	1.5
125.09629	18.7
126.10003	0.7
129.07007	2.2
131.08562	10.0
133.10136	9.3
135.08134	0.9
135.11681	11.6
137.09625	2.4
137.13228	1.6
139.11208	2.1
143.08582	2.9
143.10716	2.5
145.10133	11.5
147.08034	1.0
147.11674	7.8
149.09634	1.3
149.13277	6.7
153.12735	0.9
155.10649	4.5
157.10136	2.7
159.11673	5.4
161.13269	5.2
163.11145	3.7
163.14870	3.0
165.12892	0.8
169.10066	1.6
171.11771	1.5
173.09576	1.9
173.11757	12.7
173.13280	3.4
174.12126	0.9
175.14854	2.4
181.12263	1.6
184.07343	7.5
185.11790	0.9
185.13309	2.1
187.14873	2.5
189.11238	1.6
191.10698	1.2
193.12288	2.0
199.13277	12.6
199.14877	1.3
209.11755	4.2
217.14346	1.6
227.12718	6.1
229.14354	39.6
230.14714	2.1
241.19566	1.0
243.21135	3.5
245.13907	2.6
257.13690	0.8
259.20581	1.7
261.22137	13.5
267.15976	3.2
275.20157	0.8
277.21609	0.9
283.15445	1.7
289.21753	1.4
299.15051	1.2
301.16446	12.5
315.23279	0.9
317.24796	3.2
327.23233	1.4
333.24130	1.6
335.25800	66.7
336.26123	5.3
363.25253	2.0
451.32297	1.1
459.34589	0.8
465.21078	1.8
466.21066	2.2
469.32901	1.3
477.35629	8.0
478.35852	1.0
489.35751	10.9
490.36118	1.5
543.36725	2.6
552.29138	0.9
561.37915	6.2
579.38312	1.9
689.34515	2.5
690.35229	12.4
691.34930	1.8
758.40912	2.0
776.41772	3.6
777.42676	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	28.0
57.03438	17.5
57.07075	7.0
60.11711	3.5
67.05504	66.0
69.03361	29.2
69.03767	5.8
69.07067	29.1
71.04971	3.5
71.08625	4.8
79.05492	29.3
81.03422	95.3
81.07056	68.7
83.04990	5.4
83.08612	27.7
86.09709	4.9
91.05478	32.4
92.24536	3.5
93.07056	27.7
95.04959	35.4
95.08603	56.7
97.02911	3.9
97.06549	4.3
97.10171	14.7
105.03383	10.2
105.06422	5.1
105.07029	27.0
107.04967	7.1
107.08564	16.5
109.06548	6.7
109.10149	20.5
111.08112	10.2
117.07057	5.2
119.08588	26.7
119.24577	3.0
120.08846	3.2
121.10163	18.8
123.11681	8.3
124.24864	3.1
129.07002	14.5
131.08621	9.4
133.06450	6.0
133.10146	14.5
135.11676	6.1
137.09598	4.9
143.08572	4.0
145.10126	5.3
147.08080	3.9
147.11661	14.6
149.09579	6.9
157.10150	8.4
175.11229	11.1
184.07343	10.1
193.12259	22.1
203.10829	4.2
235.13263	19.6
245.22487	3.9
249.14734	3.9
263.23724	4.5
267.15903	94.2
273.14636	4.2
299.08890	3.2
337.27344	100.0
338.27435	6.0
353.98172	3.4
387.17792	4.1
433.13461	3.6
455.35150	7.0
529.38806	78.2
530.39154	12.3
547.39862	38.6
548.39563	3.7
776.45569	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	0.4
69.23212	2.8
73.76727	0.3
79.05552	0.3
81.03456	0.4
83.10297	0.3
88.95905	0.3
92.67830	0.3
129.30339	0.3
184.07356	0.5
206.66885	0.3
246.24356	0.4
267.09204	1.5
285.10193	1.4
485.17227	1.3
517.20740	2.1
599.33313	0.3
699.35089	1.1
777.36639	100.0
778.36920	16.6
778.51392	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.4
55.25499	0.3
57.03439	1.7
59.05001	1.0
61.02926	4.3
67.05507	7.8
69.03439	3.1
69.07074	0.6
71.01363	0.4
71.05007	1.6
73.02920	3.8
73.75180	0.4
75.35449	0.4
77.40581	0.4
79.05504	1.6
81.03422	3.8
81.07049	2.4
83.04976	0.9
85.02906	5.0
85.03370	0.6
86.09703	0.5
87.04491	0.6
91.03967	3.4
91.05476	2.6
93.07048	1.9
95.04993	1.4
95.08621	1.1
97.02886	4.3
97.06558	0.8
99.04451	0.8
101.02393	1.5
105.07048	1.5
107.08620	1.7
109.02889	0.8
109.10152	6.7
111.04462	0.6
111.08076	0.4
115.03916	0.6
119.08628	1.7
121.06521	0.5
121.10126	1.8
125.00072	0.3
127.03954	1.5
129.07016	1.0
131.08612	0.9
133.10170	0.8
137.09608	0.4
147.11705	1.4
149.08624	0.4
149.09645	2.0
155.10687	0.6
157.10168	0.7
163.11209	0.4
173.11685	1.9
175.11186	0.9
184.07320	2.1
185.04236	0.6
185.07870	0.4
193.12344	1.2
195.10036	0.9
203.05351	0.6
207.47433	0.4
211.13463	0.5
221.92343	0.4
225.14854	0.5
228.95206	0.5
229.14461	1.4
243.08470	2.2
267.15875	0.9
283.15186	4.1
286.13016	0.4
311.33362	0.4
339.17819	1.2
413.17822	13.7
414.17993	0.8
469.20520	0.8
501.23038	13.3
502.23706	1.5
511.28854	0.6
552.08923	0.5
673.34180	100.0
674.34467	14.0
731.38757	0.9
759.37616	1.3
777.38654	9.2
778.38940	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
55.05512	2.1
57.03440	1.9
59.06845	0.3
59.13073	0.3
60.08146	0.7
61.02927	4.4
61.39162	0.3
67.05499	4.2
69.03436	2.9
69.07068	2.8
71.01353	0.3
71.05006	1.0
71.07398	0.4
71.29960	0.4
73.02912	3.1
77.44394	0.3
79.05495	3.9
81.03420	4.1
81.07064	4.2
83.01353	0.8
83.05006	1.1
83.08635	1.2
85.02905	5.7
86.03210	0.3
86.09700	3.1
87.04506	0.5
88.55338	0.3
91.03964	2.1
91.05482	3.9
93.07046	3.4
95.04959	2.1
95.08615	1.6
97.02896	4.5
97.06567	0.7
97.10181	1.0
97.77724	0.3
99.04478	0.8
99.08103	0.3
101.02381	2.0
103.03973	0.4
105.07027	2.7
107.04953	0.7
107.08591	1.7
109.02922	0.8
109.06545	0.8
109.10131	1.5
111.08082	0.3
117.07037	0.9
119.08597	2.0
121.06528	0.3
121.10199	0.7
123.08103	0.6
125.00006	2.0
125.09643	0.9
127.03970	1.2
129.07014	0.8
131.08568	0.8
133.10158	1.2
135.11760	0.8
145.10147	1.0
147.11732	0.9
149.09631	0.4
157.10202	0.9
163.11156	0.7
169.22824	0.3
175.11282	0.4
184.07344	10.2
185.04274	0.5
193.12300	0.8
203.05263	0.4
204.85695	0.3
223.13405	0.8
243.08388	3.4
251.12668	0.5
291.19675	0.8
314.04291	0.3
331.18866	1.0
406.46988	0.3
439.19394	0.3
467.18854	2.3
469.20532	6.6
491.57642	0.3
530.73834	0.3
541.22754	0.4
549.26752	2.6
551.28174	1.8
679.34003	0.4
710.44647	0.5
777.40247	100.0
778.40582	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
55.05510	1.5
57.03449	2.4
59.05009	0.5
61.00732	0.5
61.02930	6.2
67.05502	5.7
69.03433	4.3
69.07074	1.4
69.70929	1.0
69.71327	1.3
71.01361	0.6
71.04987	1.1
73.02922	4.8
79.05498	4.9
81.03417	6.1
81.03858	0.7
81.07053	5.9
83.04973	2.4
83.08624	1.7
85.02904	8.9
86.09709	1.7
91.03958	3.0
91.05493	6.4
93.07054	3.4
95.04975	2.6
95.08595	2.4
97.02898	5.7
97.06538	1.1
99.04449	1.3
101.02386	1.7
105.07031	5.0
107.04964	0.8
107.08603	2.6
109.02869	0.9
109.06506	0.5
109.10172	1.7
111.04469	0.8
111.08069	0.9
117.07031	0.7
119.08575	3.0
121.10150	1.0
124.99978	0.8
127.03942	1.2
129.05499	0.5
129.07010	1.1
131.08560	1.4
133.10133	3.0
138.64546	0.5
145.10153	0.8
147.11725	1.9
151.11107	0.5
157.10146	1.0
175.11211	1.6
184.07339	5.1
185.04309	1.1
189.53171	0.5
193.12289	2.2
203.05202	0.7
211.13339	0.8
243.08444	3.3
251.12527	1.0
278.90768	0.5
301.08963	0.6
313.17789	1.3
331.18634	2.4
424.02951	0.6
451.19568	0.6
469.20462	13.0
470.20825	1.2
531.25769	1.5
541.22522	1.2
549.26691	2.6
606.24945	0.5
679.32733	2.8
708.33392	0.7
759.39362	11.5
760.39600	1.4
777.40167	100.0
778.40460	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37910	0.2
55.01868	1.0
55.05517	2.8
57.03434	2.5
57.07087	0.4
58.91941	0.2
60.08170	0.3
61.02925	6.0
65.03962	0.4
67.05508	6.9
68.60638	0.2
69.03426	4.5
69.07064	1.5
71.01360	0.7
71.04999	0.6
73.02921	4.5
75.04501	0.3
79.05493	4.8
81.03421	2.9
81.07058	6.7
83.01363	0.3
83.04995	0.8
83.08620	1.5
85.02905	7.7
86.09716	1.8
87.04498	0.6
91.03960	3.5
91.05473	3.5
92.05831	0.3
93.07049	5.8
95.04982	1.1
95.08607	4.9
95.09163	0.5
96.07951	0.3
96.08938	0.4
97.02889	6.6
97.06543	0.8
97.10179	0.6
99.04453	2.1
101.02386	1.8
103.03936	2.3
105.07029	2.0
107.04980	0.5
107.08594	3.0
109.02877	1.3
109.06519	0.6
109.10162	2.4
109.87979	0.2
111.04454	0.8
115.03983	0.5
117.07048	0.9
119.08562	2.2
121.06525	0.5
121.10142	2.5
121.33478	0.3
123.08089	0.5
123.11720	0.5
125.00024	1.1
125.06067	0.4
125.09604	0.3
127.03915	3.8
127.04772	0.4
129.07047	0.3
131.08603	1.2
133.10162	1.3
135.08110	0.4
135.11700	1.7
145.04918	1.6
145.10115	1.8
147.11732	0.5
149.09642	0.4
149.13315	0.4
153.12801	0.5
155.08612	0.3
159.11768	0.6
161.13350	0.5
162.88594	0.3
163.06042	1.2
163.11223	1.4
163.14902	0.3
173.09602	0.6
173.13313	0.3
184.07344	4.8
184.08910	0.3
185.04204	0.4
187.14915	0.3
206.92474	0.3
209.11890	0.3
223.13434	0.6
227.58327	0.3
241.14322	0.3
243.08455	2.0
251.12555	0.4
261.22525	0.3
281.13580	6.4
282.13858	0.3
307.10382	0.4
335.25803	0.8
337.16309	0.4
337.27319	0.8
418.30746	0.3
437.33990	0.4
462.94357	0.3
467.19354	0.4
470.03296	0.3
499.21472	4.3
500.21997	0.4
519.29279	9.0
520.29785	0.6
777.43903	100.0
778.44238	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
55.05513	2.6
57.03428	3.2
57.07085	0.9
58.94900	0.7
59.04998	0.7
60.08169	0.8
61.02929	4.7
65.03963	0.9
67.05504	8.4
69.03437	4.5
69.07078	2.1
71.01373	1.1
71.04996	1.0
71.30286	0.7
73.02911	4.4
79.05486	5.5
80.05860	0.7
81.03423	4.7
81.07062	6.5
83.04979	1.4
83.08630	1.7
85.02903	11.5
86.09710	5.1
91.03979	2.8
91.05491	4.0
93.07051	5.7
95.04963	0.8
95.08599	5.8
97.02890	8.4
97.06528	0.9
99.04441	4.9
101.02415	1.9
101.56001	0.6
103.03944	7.3
105.07069	2.3
107.04961	0.8
107.08624	2.7
109.02895	2.5
109.10173	2.3
111.04463	2.2
117.07035	1.3
119.08628	2.5
121.10121	3.0
123.11769	1.3
125.00045	2.5
127.03928	9.0
128.87349	0.7
129.07043	0.8
131.08594	1.5
133.10175	1.2
135.11736	2.7
135.80289	0.7
139.36517	0.6
142.73969	0.8
145.04974	4.7
145.10170	2.3
147.11687	1.2
152.52596	0.7
159.11804	1.3
161.13313	1.0
163.06053	3.8
163.11200	3.6
173.09715	0.8
173.13292	0.8
184.07352	13.8
184.08905	0.9
201.16438	0.8
222.25542	0.6
223.13312	1.5
243.08421	3.0
251.12558	0.7
271.08124	0.9
281.13611	4.8
289.09180	1.1
307.10379	2.4
337.16177	1.2
337.27396	1.1
398.72534	0.6
465.53769	0.6
499.21463	10.3
499.28116	0.9
519.29486	5.6
777.43933	100.0
778.44208	19.2
797.48553	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.2
56.96560	2.7
57.03417	1.5
59.04999	1.3
60.51601	0.8
61.02920	1.7
67.05496	3.2
69.03431	10.0
69.07065	1.5
71.04996	4.6
73.02917	2.5
73.19630	0.9
79.05493	2.7
81.03419	14.6
81.07060	4.5
85.02904	70.9
88.26164	1.0
91.05476	2.6
93.07027	4.7
95.04973	1.3
95.08597	10.0
97.02892	24.1
97.53294	0.8
98.23429	2.2
98.97589	7.3
99.04456	44.4
103.03941	96.8
104.04262	1.2
105.07040	7.0
107.08582	5.9
107.41635	0.8
109.02880	16.4
109.10143	6.1
110.97594	1.5
111.08078	2.5
112.99138	1.7
116.06272	0.9
116.98605	2.7
117.07021	1.0
119.08582	7.2
121.02842	0.9
121.10168	4.7
123.08188	1.0
123.11733	1.4
127.03915	100.0
128.04250	2.2
128.98613	0.9
131.00200	1.4
131.08553	2.8
133.10117	4.3
135.11711	2.0
143.00148	0.9
143.08499	1.4
145.04961	58.1
145.10104	5.5
147.11702	3.3
149.01201	2.7
155.08513	1.1
157.10143	1.9
158.99701	2.4
159.11700	4.1
160.12111	1.0
161.13278	6.5
163.04652	2.1
163.06012	41.5
164.06395	0.9
169.04964	1.3
170.99634	2.9
171.11676	1.9
172.85141	0.9
173.13246	3.3
175.14856	1.2
177.00720	2.8
184.07274	1.3
185.13307	1.6
187.06010	6.7
187.14842	2.5
189.00728	2.6
191.14418	1.4
199.14828	3.3
201.16420	3.5
205.07056	3.8
213.16399	1.7
217.15945	1.7
219.01744	1.6
219.17465	3.2
223.02188	0.9
253.07149	1.4
261.02777	1.3
271.08127	6.6
279.03751	1.1
289.09186	3.5
293.05374	3.6
307.10223	5.7
311.06528	1.5
321.04977	7.8
337.20523	1.6
407.33252	1.6
408.33386	1.3
417.31491	1.3
435.32584	8.6
437.09839	1.4
453.33691	4.9
454.34250	1.2
455.10477	2.2
717.33508	2.6
777.40356	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.4
55.05510	6.3
57.03432	3.0
57.29713	1.5
61.02917	4.1
67.05502	16.2
69.03436	15.2
69.07059	7.3
71.04638	1.3
71.04977	6.8
73.02912	4.8
76.48837	1.2
79.05492	11.6
81.02982	2.1
81.03418	19.2
81.07058	21.4
83.04967	3.1
83.08620	4.9
85.02905	81.8
86.09703	4.1
87.04475	2.3
90.48115	1.2
91.05471	9.8
93.07037	20.0
94.07404	1.3
95.04990	3.4
95.08604	38.4
97.02890	32.4
97.06533	2.5
97.10162	1.7
98.33552	1.3
99.03942	1.4
99.04451	58.1
103.03938	88.1
104.14060	1.4
105.07026	17.1
107.04951	1.4
107.08584	27.6
109.02876	23.6
109.06503	1.3
109.10145	19.1
111.04465	1.3
111.08077	3.8
113.06023	2.0
117.06992	3.0
118.24180	1.3
119.08575	24.3
121.06488	2.4
121.10143	20.4
122.10459	1.4
123.08073	3.0
123.11723	9.5
124.99984	4.5
125.09647	2.2
127.03913	100.0
128.04221	3.0
129.06992	2.2
131.08565	4.3
133.10138	15.0
135.08081	3.0
135.11714	10.4
137.09680	1.5
141.09172	1.7
143.08546	3.8
145.04953	55.0
145.10132	9.8
147.08023	2.7
147.11693	12.5
149.09621	3.0
149.13232	3.8
153.09058	2.3
155.08540	1.8
157.10132	5.3
159.11674	8.9
160.12079	1.3
161.09653	6.1
161.13239	14.5
163.06021	35.1
163.11179	3.7
163.14745	2.2
165.09103	1.3
167.10669	3.5
171.11681	4.1
173.09586	1.9
173.13297	5.5
175.11212	5.5
175.14815	4.6
181.12231	4.5
183.11671	1.7
184.07349	16.5
185.13260	2.3
187.06006	6.0
187.14848	3.9
189.12729	2.2
189.16385	5.6
195.13805	2.1
199.10941	1.5
199.14920	3.1
201.12788	1.2
201.16393	2.9
203.14311	2.7
203.18005	1.5
204.14847	1.2
205.07130	3.3
209.15404	2.3
213.16399	1.9
215.14320	3.4
215.18089	2.2
217.15916	3.8
221.15292	6.7
223.16969	3.8
227.14301	1.7
229.15948	1.5
231.17429	1.4
233.15358	2.9
235.16930	14.5
237.18509	3.9
243.08372	1.6
247.16901	7.5
249.18451	7.5
261.18472	2.8
271.08133	5.5
289.09122	3.5
307.10251	3.9
329.24783	2.1
343.26321	9.5
355.26419	5.9
417.31540	2.3
425.34122	8.4
426.34515	1.6
435.32654	10.2
436.32779	1.6
453.33636	12.7
454.33969	1.8
467.18658	2.5
471.34659	18.8
472.34641	3.1
543.34326	1.5
551.27698	1.7
561.35681	2.6
562.36542	1.8
777.26715	2.0
777.40094	25.1
778.40051	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.9
55.05510	4.4
57.03426	2.1
57.07062	2.0
61.02924	2.9
65.03936	0.8
67.05502	8.8
69.03425	14.7
69.07057	5.7
71.04989	6.8
73.02926	4.0
79.05482	6.7
81.03418	18.2
81.07051	14.5
83.04965	1.7
83.08620	3.2
85.02901	76.8
86.03223	1.8
87.04441	1.3
91.05484	7.0
93.07041	16.3
95.04963	4.3
95.08604	30.7
97.02889	32.5
97.06538	3.0
97.10125	1.0
99.04451	50.6
103.03938	100.0
104.04315	1.0
105.07030	15.1
107.05001	0.8
107.08594	22.6
108.08918	1.1
109.02879	21.5
109.06487	1.3
109.10148	15.6
111.04424	1.0
111.08076	2.3
113.05972	2.1
115.03911	1.4
117.07011	2.0
119.08571	18.7
120.76051	0.7
121.06489	2.0
121.10139	22.5
123.08081	4.8
123.11705	6.9
125.09616	1.4
127.03909	98.6
128.04260	1.6
129.09143	0.8
131.08551	5.3
133.06459	1.2
133.10132	13.9
135.08096	3.9
135.11684	10.2
137.09622	1.7
137.13248	2.2
139.07523	1.8
139.11159	0.9
140.30125	0.8
141.09100	2.1
142.07825	0.9
143.08560	2.7
144.09396	0.8
145.04948	59.9
145.10109	8.1
146.05347	1.0
147.08073	2.7
147.11681	10.4
149.09610	3.9
149.13286	4.5
153.09131	2.1
157.10143	3.7
159.08029	1.0
159.11664	10.2
161.09662	4.8
161.13232	13.8
163.06015	34.6
163.11168	4.0
163.14749	1.8
165.09116	1.0
167.10690	3.5
169.04967	1.5
169.10065	1.5
171.11690	3.4
172.12228	1.2
173.09610	1.8
173.13258	6.6
175.11182	3.7
175.14830	4.7
177.12790	1.8
177.16351	1.2
179.10669	1.6
179.75035	0.7
181.10121	1.0
181.12236	5.8
183.11623	1.1
185.09604	0.8
185.13257	2.0
187.05983	6.8
187.14781	5.2
189.12727	3.0
189.16351	5.3
191.14264	1.1
191.17937	1.9
193.12202	1.3
193.15892	0.9
195.11876	0.7
195.13834	3.1
197.13232	1.8
199.05997	1.6
199.14922	2.0
201.12831	1.3
201.16409	4.7
203.14330	2.3
203.17924	1.9
205.07057	4.1
205.15929	1.5
209.13509	1.1
209.15443	3.6
213.16457	2.9
215.14340	2.2
215.17900	1.6
217.15871	3.3
219.13908	1.2
219.17409	1.3
221.15381	3.6
223.16949	2.4
225.16327	1.0
227.14317	1.2
229.15880	3.1
231.17462	2.3
233.15381	3.6
235.16913	13.7
235.76547	0.9
237.18401	3.8
239.18146	1.1
243.17300	1.2
247.16899	6.9
249.18500	6.4
253.06927	1.1
253.19440	1.0
261.18466	3.3
265.67297	0.9
271.08051	5.0
275.19949	1.8
289.09143	2.7
304.82071	0.9
307.10263	4.5
329.24768	1.4
343.26266	2.5
355.26132	1.4
407.32990	2.6
417.31390	2.4
425.34146	4.0
435.32526	13.5
436.33047	1.2
453.33536	11.9
454.33832	2.1
469.33322	1.0
471.34705	21.2
472.35187	2.3
543.34668	1.2
561.35657	3.4
579.36102	1.4
691.32220	3.4
702.45844	0.9
727.13910	0.8
741.39496	1.0
777.39355	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98546	1.2
55.01874	3.4
55.05521	5.9
57.03440	2.9
57.07061	1.7
60.08153	1.3
61.02930	3.1
67.05505	15.1
69.03429	15.7
69.07071	6.0
71.04996	6.1
73.02907	5.6
79.05492	11.6
81.03416	20.4
81.07053	17.6
83.04975	2.9
83.08635	5.0
84.79479	1.1
85.02905	71.2
86.09712	5.4
91.03957	2.3
91.05476	10.1
93.07047	19.0
95.04965	2.8
95.08611	32.3
97.02890	28.8
97.06548	1.9
97.10199	1.9
99.04453	50.8
101.02370	2.0
103.03943	81.2
104.04288	2.0
105.07024	14.2
107.08595	23.7
109.02880	22.5
109.06518	2.9
109.10159	19.4
111.04429	1.7
111.08050	2.4
117.07059	3.8
119.08589	22.0
119.09438	1.3
121.06512	2.6
121.10137	22.7
122.10535	1.5
123.08073	4.5
123.11702	9.0
124.99977	6.3
125.09631	2.5
127.03913	100.0
128.04266	2.2
129.06992	2.3
131.08588	4.6
133.10132	14.6
135.08076	3.2
135.11711	10.1
137.09630	1.5
139.07544	1.5
139.11131	1.5
141.09123	1.7
143.08563	3.8
145.04962	47.8
145.10117	9.6
146.05280	1.7
147.08020	1.7
147.11676	10.2
149.09631	2.6
149.13263	3.4
151.11160	2.2
153.09106	2.8
155.08551	1.6
157.10118	5.6
159.08171	1.4
159.11691	10.3
161.09625	3.9
161.13225	13.9
163.06026	30.2
163.11198	3.6
163.14832	2.3
165.09157	1.9
167.10709	2.5
171.11716	3.0
173.09663	1.5
173.13232	6.1
175.11206	5.2
175.14833	5.6
177.12820	1.9
177.16493	1.3
179.10611	1.3
181.12242	3.6
184.07350	25.7
185.13271	2.6
187.05957	5.9
187.14842	3.9
187.43152	1.1
189.12662	2.1
189.16461	4.9
191.14384	1.6
193.12219	3.0
193.16019	1.4
195.13779	1.6
199.14845	3.4
201.16399	4.2
203.14368	2.3
203.17937	1.3
205.07072	3.4
207.11772	1.3
209.13387	1.3
209.15401	1.8
213.16570	1.5
215.14244	1.6
215.17935	1.6
217.15936	3.5
219.17392	2.0
221.15430	3.7
223.16969	2.8
225.16315	1.4
229.15941	2.3
233.15419	2.1
235.16913	14.8
237.18535	2.5
247.16980	4.6
249.18556	4.7
261.18591	2.4
271.08194	4.8
275.20007	1.6
277.21729	1.3
289.09171	2.5
307.10248	3.5
329.24921	1.5
343.26294	7.9
355.26309	4.0
407.32858	1.7
417.31116	1.7
425.34201	8.2
426.34656	1.4
435.32611	10.4
453.33719	12.6
469.20804	1.5
471.34644	18.2
472.34866	2.2
543.34503	1.3
561.35803	2.9
759.39532	1.4
777.40125	38.0
778.40894	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.3
55.05511	5.5
57.03428	2.7
57.07061	0.9
61.02906	2.6
65.03951	0.8
67.05503	11.9
69.03429	11.3
69.07063	2.9
71.04991	6.1
71.32705	1.1
71.33060	1.1
73.02907	2.6
73.48167	0.9
73.55190	0.8
73.57356	0.8
75.12001	0.8
79.05495	8.3
79.65173	0.8
81.03415	15.8
81.07060	15.1
83.04975	0.9
83.08612	2.2
85.02905	70.0
85.06506	1.3
86.03242	1.4
87.04456	1.2
89.05991	1.1
91.05453	6.0
91.73457	0.9
93.07046	14.1
94.07398	1.0
95.04961	1.9
95.08609	29.2
96.08986	1.0
97.02898	23.0
97.03522	1.9
97.06496	1.7
97.10188	1.3
97.70296	0.9
99.04455	46.9
103.03942	99.1
104.04298	1.3
105.03391	1.0
105.07025	9.9
107.08606	14.2
109.02880	17.2
109.06526	1.3
109.10164	13.8
110.10552	1.2
111.08081	2.4
112.65844	0.8
117.07031	1.9
119.08590	14.4
121.06516	2.1
121.10152	14.8
122.94837	1.0
123.08076	2.6
123.11707	6.6
125.09626	1.9
127.03916	100.0
128.04272	2.2
129.09120	0.9
131.08533	4.8
133.10130	11.1
135.08080	1.7
135.11699	8.8
137.13240	1.6
139.11102	0.9
141.09142	1.4
143.08568	1.6
145.04953	61.0
145.10153	4.4
147.08032	2.2
147.11678	7.2
147.30540	0.9
149.09659	1.5
149.13275	3.4
150.14896	0.9
153.09048	1.2
157.10159	2.2
159.11716	5.8
159.90263	1.0
161.09602	2.5
161.13252	11.0
163.06021	44.2
163.11192	2.1
163.14818	1.5
165.09071	1.0
167.07149	1.4
167.10663	2.0
169.04892	1.5
169.10106	0.9
171.11707	2.4
173.13268	3.6
175.11159	3.3
175.14833	5.7
177.12819	1.2
177.16374	1.4
181.12216	3.5
183.11638	1.2
184.07452	1.4
185.13274	1.8
187.06046	5.4
187.14857	3.7
189.12834	1.3
189.16418	4.4
191.17995	1.1
195.13773	1.7
199.14874	1.2
201.16255	1.2
203.14314	1.2
203.18013	1.2
205.07080	5.9
207.13606	1.1
209.15331	2.1
211.14810	1.2
217.15889	3.0
219.17381	1.2
221.13530	1.1
221.15315	4.7
223.14780	1.1
223.16893	2.0
229.16026	1.3
231.17493	1.6
232.55351	1.0
233.15466	2.0
235.16933	10.1
237.18512	2.2
247.16901	4.2
249.18607	5.2
261.18539	2.4
261.22336	1.0
271.08014	4.5
289.09167	3.6
307.10214	6.6
311.23657	1.4
329.24481	1.3
335.25653	2.0
336.26202	1.3
343.26419	5.0
355.26367	2.1
357.28317	1.0
407.33081	1.6
417.31390	2.6
425.34232	6.1
435.32635	11.8
436.32877	0.9
453.33615	8.3
454.33948	1.3
471.34744	10.4
472.34857	0.9
525.33575	1.0
544.67285	1.1
561.35443	1.6
777.43146	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.4717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
55.05512	2.3
56.05029	1.0
57.03425	2.1
58.06614	1.0
60.08163	6.1
61.02915	1.9
67.05507	5.7
68.05853	0.5
69.03072	0.7
69.03426	5.7
69.07079	2.4
71.04985	2.2
71.07375	4.7
71.08575	0.4
71.30162	0.5
73.02927	2.4
79.05479	2.2
79.36812	0.5
81.03416	8.4
81.07056	5.9
83.04959	1.4
83.08620	1.3
83.80350	0.5
85.02904	31.3
86.03264	1.1
86.09704	34.8
91.03920	0.8
91.05466	1.9
93.07032	3.4
95.04969	0.7
95.08601	3.9
97.02281	0.9
97.02890	15.5
97.06516	0.8
97.10177	0.7
98.98472	4.4
99.04453	22.9
100.04763	0.8
103.03940	44.9
104.10748	2.6
105.07014	1.9
107.08583	3.0
108.04476	0.8
109.02875	9.5
109.10143	4.1
111.04463	0.6
116.02737	0.4
119.08597	2.4
121.10152	2.1
123.11672	0.9
125.00003	21.5
125.09619	0.7
127.03913	48.5
128.04211	1.0
130.35912	0.5
131.08537	1.0
133.10147	2.8
135.11679	0.8
139.45888	0.4
145.04951	28.0
145.10091	1.3
147.11668	1.7
149.13240	0.8
157.10088	0.7
159.11708	1.8
161.13271	1.3
163.06015	25.4
164.06296	0.8
169.04991	0.7
175.14757	0.6
184.07338	100.0
185.07648	2.1
187.06006	2.4
187.14806	1.3
189.16408	0.6
201.16309	0.6
203.17920	1.2
205.07053	1.7
229.14334	1.2
253.07007	0.7
271.08182	4.2
289.09128	3.1
301.16556	1.3
307.10205	5.6
308.10577	0.6
337.27307	2.1
437.34210	3.5
438.34320	0.5
455.34842	0.9
563.39276	0.6
594.66113	0.5
628.66949	0.6
674.43866	4.4
675.43359	0.8
733.39655	0.6
746.41913	1.0
778.44696	6.4
779.41003	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05269	1.3
55.05515	14.1
57.03440	10.0
57.07081	6.6
60.08175	5.6
65.87876	0.9
67.05511	19.6
69.06724	1.6
69.07072	18.9
71.04992	2.6
71.07372	3.2
71.08626	2.7
74.52962	0.9
79.05492	10.1
81.03421	43.2
81.07057	20.4
82.03700	0.9
83.04984	4.3
83.08618	20.2
83.32676	0.9
85.06551	1.8
85.10203	2.4
86.09711	29.6
91.05500	12.3
93.07050	9.9
95.04974	11.2
95.08605	16.2
97.06516	2.3
97.10178	8.3
98.98466	3.3
99.08121	1.3
104.10747	1.9
105.07018	7.2
105.86889	0.9
107.04955	4.3
107.08598	5.2
109.06535	2.2
109.10152	7.1
111.04444	1.7
111.08083	4.1
111.11704	1.3
117.06979	1.0
119.08611	5.6
121.06496	1.7
121.10167	7.2
123.11752	2.0
124.99998	22.0
129.07027	4.0
131.08582	5.4
133.06500	1.9
133.10133	4.1
135.11696	4.4
137.13193	1.0
145.09990	1.0
147.08081	2.4
147.11693	4.2
149.09627	2.0
149.13257	2.3
157.10118	5.1
159.11668	1.2
163.14726	1.0
167.72253	0.9
173.13290	1.2
175.11177	4.2
184.07347	100.0
185.07648	2.0
193.12248	15.1
211.13126	1.0
247.24022	1.2
249.14796	1.9
265.25284	1.8
267.15915	74.8
268.16287	3.6
309.16803	1.3
321.76038	1.0
333.23013	1.0
336.71677	1.1
339.28946	64.5
340.29269	5.7
451.19339	1.0
457.36349	2.0
531.40466	57.2
532.40845	7.0
549.41522	6.7
573.41583	1.6
587.45959	1.3
630.41180	1.4
639.42413	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5377
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
56.05037	1.0
57.78902	0.1
58.06377	0.2
58.06627	0.4
60.08164	5.7
64.08128	0.1
66.84650	0.1
67.05495	0.3
71.06982	0.3
71.07375	4.4
74.09716	0.2
77.18655	0.2
79.05505	0.3
81.07063	0.2
86.09706	30.6
87.10013	0.3
89.20776	0.1
92.03380	0.2
93.07050	0.2
98.98461	4.0
104.10757	1.9
107.08609	0.2
120.84538	0.1
125.00005	22.2
131.64958	0.2
143.01016	0.3
152.47507	0.1
161.92731	0.2
184.07343	100.0
185.07733	1.6
196.78693	0.2
227.99480	0.1
479.76321	0.2
500.31479	0.2
518.32391	0.4
584.01709	0.2
778.54102	1.3
779.52948	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
55.05515	1.7
57.03437	1.9
60.08164	0.4
61.02929	5.2
67.05509	4.5
67.05856	0.2
69.03433	3.5
69.07075	2.2
70.50487	0.3
71.01359	0.4
71.05001	0.8
71.07378	0.4
71.30959	0.3
73.02918	3.4
75.27516	0.2
79.05495	4.3
81.03420	3.4
81.07059	5.1
81.07523	0.3
82.74921	0.2
83.04986	0.9
83.08611	0.9
85.02905	5.6
85.06558	0.3
86.09705	1.6
87.10057	0.3
91.03960	2.3
91.05486	4.4
93.07048	3.7
95.04984	1.7
95.08600	2.2
97.02902	3.7
97.06544	0.7
97.10194	0.7
98.98473	0.3
99.04456	0.8
101.02389	1.9
103.03948	0.4
105.07039	3.4
107.04962	0.7
107.08572	1.7
108.08920	0.3
109.02915	0.8
109.06516	0.8
109.10162	0.9
111.08125	0.4
113.05988	0.3
117.07051	0.6
118.98386	0.2
119.08566	2.2
121.10149	0.9
123.08083	0.5
123.11721	0.4
125.00025	1.1
125.09660	0.3
127.03932	1.0
129.07062	0.7
131.08575	1.4
133.10162	1.4
135.08061	0.4
135.11774	0.5
137.09712	0.3
143.62648	0.3
145.10150	1.0
147.11728	0.9
149.09639	0.5
157.10184	0.9
175.11139	0.5
184.07365	5.8
185.04274	0.6
185.07770	0.8
193.12346	1.1
203.05344	0.5
211.13266	0.4
238.94736	0.3
243.08417	2.9
251.12752	1.2
269.12381	0.4
307.15234	0.6
313.09222	0.3
315.10580	0.3
333.20355	1.6
353.42593	0.3
381.94348	0.3
389.22772	0.4
439.19614	0.8
453.21066	0.7
469.20462	7.2
470.20694	0.7
551.28314	6.8
552.28510	1.1
617.36792	0.4
672.43994	0.3
681.34637	0.3
779.41840	100.0
780.42175	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
55.05508	3.3
57.03429	2.0
61.02925	4.1
67.05505	3.7
69.03424	2.7
69.07055	2.4
69.22604	1.0
69.23007	2.5
71.05000	0.8
73.02915	2.9
79.05493	2.7
81.03413	3.8
81.07059	2.6
83.04993	1.1
83.08634	1.7
84.70608	0.4
85.02901	5.3
86.09708	1.2
89.42298	0.4
91.03976	1.9
91.05477	3.1
93.07055	2.7
95.04986	1.6
95.08620	1.4
97.02893	3.6
97.06528	0.8
97.10165	2.6
98.74617	0.4
99.04489	0.5
101.02398	1.8
105.07055	1.9
107.04965	0.8
107.08611	1.9
109.02928	0.7
109.06516	0.6
109.10198	0.5
111.08097	0.5
111.15343	0.4
115.03904	0.5
119.08600	1.4
121.10131	0.5
125.00022	0.9
125.09598	2.9
127.03945	1.4
129.07019	0.8
131.08574	0.9
133.10165	1.5
133.20578	0.4
137.09677	0.5
145.10165	0.5
147.11716	0.9
157.10179	0.8
159.31123	0.4
165.39322	0.4
175.11122	0.5
184.07341	3.4
185.04341	0.6
185.07726	0.5
189.11304	1.3
193.12335	0.9
202.70854	0.5
243.08452	3.0
251.12564	0.7
333.20370	3.4
334.20819	0.7
385.18277	0.5
389.23123	0.6
405.11978	0.4
469.20416	8.8
470.20901	1.2
481.20789	0.6
504.14529	0.4
541.22687	0.6
551.28229	5.9
552.28467	0.6
779.41772	100.0
780.42078	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71454	0.4
55.01849	0.8
55.05508	1.8
57.03430	2.2
61.02928	5.3
65.03918	0.5
67.05499	3.7
69.03432	3.3
69.07063	1.3
69.19454	3.1
71.01389	0.4
71.04999	1.0
73.02919	4.0
79.05495	5.4
81.03416	4.5
81.04433	0.4
81.07053	4.8
83.04987	1.1
83.08614	1.4
85.02905	6.2
86.09724	2.2
91.03954	2.4
91.05484	4.7
93.07044	3.1
95.04980	1.8
95.08624	1.5
97.02902	3.6
97.06556	0.6
97.10168	0.4
99.04424	0.6
101.02384	1.8
103.03930	0.4
105.07030	2.6
107.04937	0.9
107.08622	1.4
109.02919	0.6
109.06527	0.6
109.10133	0.5
111.08093	0.6
117.07008	0.7
119.08585	1.8
121.10143	1.0
125.00040	0.6
127.03960	1.3
129.07018	0.7
131.08592	1.0
133.10153	1.5
135.11700	0.9
145.05016	0.6
147.11691	1.3
149.09709	0.6
157.10130	1.1
175.11267	0.7
184.07330	4.0
185.04256	0.8
193.12347	1.8
203.05270	0.5
211.13428	0.5
213.84521	0.4
243.08417	3.2
251.12578	0.5
307.15121	0.6
333.20474	1.7
386.23117	0.4
389.23026	0.7
439.19345	0.8
453.21231	1.0
469.20456	11.1
470.20621	0.8
551.28027	3.7
579.25018	0.5
779.41809	100.0
780.42212	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
55.05514	1.4
57.03436	2.0
59.05005	0.4
60.08160	0.5
61.02929	5.0
61.03226	0.5
67.05508	4.5
69.03432	2.7
69.07088	1.4
71.01373	0.5
71.05007	0.8
71.07394	0.4
71.30692	0.7
73.02924	4.2
79.05490	3.8
81.03413	4.1
81.03782	0.3
81.07054	5.0
81.07453	0.4
83.04997	0.9
83.08648	1.1
85.02905	5.6
86.09699	2.6
91.03957	2.6
91.05473	4.3
91.05909	0.3
93.07049	3.5
95.04972	1.8
95.08611	2.3
97.02889	4.7
97.06558	0.7
97.10178	0.5
99.04474	0.6
101.02389	2.0
105.07029	3.5
107.04963	0.4
107.08593	2.0
109.02913	1.0
109.06521	0.7
109.10184	0.8
111.04501	0.5
117.07043	1.0
119.08591	1.8
121.10181	1.2
123.08100	0.5
125.00038	1.4
127.03955	1.6
129.07025	0.9
129.79178	0.4
131.08609	1.5
133.06396	0.4
133.10158	1.3
135.08130	0.4
135.11754	0.5
138.83946	0.3
143.08519	0.4
145.10156	0.9
147.11732	0.9
149.09662	0.6
151.11154	0.4
157.10204	0.9
175.11241	0.7
184.07356	8.2
184.08940	0.6
185.04326	0.7
185.07747	1.4
193.12265	0.8
203.05284	0.9
211.13297	0.5
243.08360	2.8
251.12675	0.9
261.08810	0.4
264.88922	0.3
275.20236	0.4
285.35297	0.4
333.20227	1.9
376.70685	0.4
386.32431	0.4
406.84299	0.4
465.21188	0.8
469.20425	8.4
469.26489	0.6
470.21115	0.7
533.26929	0.5
551.28204	5.7
552.28687	0.8
552.94287	0.4
693.34711	0.9
779.41815	100.0
780.42126	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.9
55.05518	3.6
57.03439	3.5
61.02929	10.2
67.05497	7.1
69.03425	5.0
69.07068	2.6
71.05005	1.2
73.02917	6.8
79.05481	5.7
80.22520	1.0
81.03412	5.1
81.07072	7.5
83.01103	1.3
83.04987	2.7
83.08629	3.0
85.02901	10.6
86.09723	1.0
91.03954	5.4
91.05476	7.5
93.07037	7.2
95.04993	2.8
95.08592	5.0
97.02899	8.0
97.06523	1.2
99.04488	1.5
101.02386	3.2
103.03936	1.3
105.07027	5.9
107.08617	3.4
109.02901	1.8
109.10180	3.3
111.08010	0.9
117.05444	1.8
117.07059	1.9
119.08603	3.5
121.10168	3.4
123.08085	1.3
123.11678	0.9
125.00004	1.6
127.03918	5.2
129.05513	1.9
129.07010	1.2
131.08577	2.6
133.10158	4.1
135.11713	1.7
139.36661	0.9
145.04991	1.9
145.10187	2.5
147.08083	1.2
147.11774	3.4
157.10182	2.4
159.11761	1.2
161.13231	1.7
171.11742	1.5
175.11258	2.1
184.07385	5.3
185.04224	5.9
193.12233	1.3
199.05939	1.3
201.03802	2.8
203.05341	2.0
207.13950	1.2
229.18848	0.9
243.08411	7.8
246.78889	0.9
247.13171	2.1
251.12778	1.1
276.21152	1.0
301.08954	14.6
315.10611	3.3
317.20856	2.0
324.13980	1.0
341.12061	1.5
357.15298	1.4
357.24222	1.4
373.10873	2.1
383.17050	1.8
385.18469	9.9
415.24579	2.2
429.17490	2.6
455.19055	1.0
457.20496	2.1
461.25067	1.5
465.21118	8.6
467.19098	1.9
469.20450	13.3
485.19849	1.6
495.22141	3.1
499.34171	2.2
525.23157	18.5
526.23303	2.4
535.28699	12.0
536.29529	1.2
551.28485	2.4
594.30261	3.9
607.30725	8.0
609.32391	5.2
621.32245	2.0
635.33960	3.0
649.35620	2.0
663.33936	2.9
665.34631	1.6
667.83612	1.0
677.38824	6.2
678.39581	2.7
681.34296	2.2
693.34503	56.6
694.34998	9.6
695.39655	6.2
719.40436	1.3
733.39990	1.7
761.40649	8.1
762.41016	2.4
779.41620	100.0
780.42096	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53327	6.3
81.07046	1.4
85.35434	1.1
86.09724	1.7
93.07063	1.3
105.03405	10.6
106.03719	2.2
109.10210	1.2
124.99968	1.4
147.11714	1.3
184.07387	4.4
236.17302	1.5
332.37033	1.0
492.21066	1.9
726.37555	2.5
768.27515	1.2
779.43414	100.0
780.43384	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
55.05511	2.5
55.39905	0.4
57.03429	2.4
57.07063	0.4
59.05014	0.6
61.02923	6.8
65.03941	0.4
67.05508	6.9
69.03429	5.1
69.07077	1.3
69.76977	0.4
70.94237	0.7
71.01357	0.9
71.04996	1.8
73.02922	5.2
79.05496	4.3
81.03413	5.0
81.07060	7.0
83.04988	0.9
83.08643	1.1
85.02911	14.4
86.03232	0.6
86.09732	2.2
87.04484	0.7
91.03969	3.5
91.05486	3.5
93.07046	4.4
94.32908	0.4
95.04989	1.4
95.08604	4.5
97.02895	9.1
97.06545	0.9
97.10169	0.7
98.03246	0.8
99.04454	7.6
100.04801	0.6
101.02372	2.3
101.54958	0.4
103.03941	12.4
104.04297	0.8
105.07021	2.8
107.08597	3.7
109.02874	2.7
109.06529	0.5
109.10162	2.2
115.03970	0.7
117.07061	0.7
119.08591	1.9
120.08870	0.5
121.10147	2.6
122.10548	0.6
123.08073	0.6
123.11720	0.5
125.00040	1.6
127.03913	14.1
128.04269	1.6
129.07060	0.7
131.08615	1.5
133.10158	1.1
135.11736	1.3
145.04959	7.3
145.06078	0.4
145.10213	0.6
146.05362	1.1
147.11713	1.7
149.09650	1.3
149.13283	0.4
157.10147	1.2
161.13271	1.1
163.06029	7.1
163.07303	0.4
164.06401	1.1
175.11227	0.9
184.07368	7.5
184.08925	0.6
185.07736	0.5
187.06041	0.7
192.70424	0.4
193.12376	1.2
201.16447	0.6
225.14861	0.5
229.14296	0.4
243.08348	2.7
271.08289	0.4
283.15149	4.6
289.09177	0.9
307.10303	1.3
308.10361	0.6
335.25861	0.5
337.27582	0.5
339.17978	0.8
437.34576	0.5
438.34494	0.8
501.23016	7.1
519.29315	6.3
519.36536	0.6
520.30127	0.5
779.45459	100.0
780.45789	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46788	0.3
55.01873	0.3
55.05508	1.0
57.03437	1.0
59.05011	0.7
61.02927	4.2
65.03953	0.4
67.05500	3.5
69.03435	3.0
69.07071	1.0
71.01359	0.6
71.05000	1.2
73.02911	2.9
79.05490	2.9
81.03417	3.8
81.07060	3.7
83.04990	0.4
83.08631	1.1
85.02906	7.4
85.03366	0.5
86.03246	0.5
87.04468	0.4
88.94475	0.3
91.03959	2.5
91.05488	2.6
93.07050	2.8
95.04985	1.2
95.08605	2.6
96.36265	0.3
97.02888	5.4
97.06538	0.5
98.22613	0.5
99.04472	2.4
101.02355	2.0
103.03943	4.2
104.04282	0.3
105.07023	1.8
107.04999	0.3
107.08597	1.7
109.02859	1.6
109.06540	0.4
109.10172	0.9
111.08094	0.5
119.08546	1.6
121.10172	2.4
123.11691	0.4
125.09748	0.3
127.03916	5.2
128.04292	0.7
129.07002	0.6
131.08591	1.8
133.10170	1.2
135.11725	0.5
138.37843	0.3
145.04968	3.7
145.10146	0.4
146.05310	0.8
147.11725	1.0
149.09679	1.2
157.10159	0.8
159.11723	0.3
161.13217	0.3
163.05991	2.7
175.11238	0.6
184.07356	1.5
185.04243	0.7
193.12289	1.1
203.05322	0.6
210.46237	0.4
225.14923	0.5
243.08446	2.5
267.16153	0.4
271.08185	0.4
283.15170	4.4
307.10165	0.6
335.26004	0.6
339.17899	0.6
501.23035	11.0
502.23514	1.0
519.29358	5.4
520.29572	1.0
617.39667	0.4
771.45898	0.3
779.45447	100.0
780.45721	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.3
57.03441	3.3
61.02927	7.5
67.05506	7.0
69.03426	4.8
69.07082	1.7
69.12320	2.4
69.12742	1.3
71.01353	0.6
71.04993	2.0
73.02915	6.0
76.43929	0.4
79.05481	4.7
81.03424	3.2
81.07056	6.3
83.08649	0.9
85.02909	8.4
85.03429	0.5
86.09718	0.8
87.04457	0.9
87.10049	0.6
91.03952	4.5
91.05480	4.0
91.41770	0.5
93.07032	5.5
95.04990	1.7
95.08598	4.4
95.09046	0.4
96.69441	0.4
97.02888	6.5
97.03432	0.6
98.22866	1.9
98.34015	0.5
99.04482	1.5
101.02371	2.2
103.03943	1.2
105.07046	2.4
107.08598	2.1
109.02888	1.4
109.06544	0.5
109.10188	1.9
111.08094	0.6
117.07031	0.8
119.08616	1.8
121.10153	2.7
123.11749	0.8
125.00049	0.8
127.03926	2.6
129.06985	0.5
131.08615	1.5
133.10143	1.2
135.11717	1.2
135.83861	0.4
138.84854	0.4
145.04985	1.1
145.10150	0.5
147.11737	1.2
149.09624	1.2
149.13368	0.5
157.10123	0.8
159.11803	0.5
184.07375	3.9
193.12267	0.6
203.05380	1.0
243.08408	2.9
283.15173	6.5
335.25931	1.5
339.17862	0.8
501.23007	6.3
502.24155	0.6
519.29272	10.3
520.29596	1.2
643.99976	0.5
779.45441	100.0
780.45709	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
55.05512	1.1
57.03441	2.5
59.04995	1.1
61.02916	5.5
67.05503	3.8
69.03441	3.6
69.07079	1.5
71.01358	0.8
71.04993	0.9
71.30415	1.0
73.02914	4.1
79.05494	3.1
81.03004	0.6
81.03407	4.3
81.07062	4.8
83.08651	0.6
85.02900	9.5
86.09715	0.7
91.03955	3.2
91.05490	2.5
93.07034	3.8
95.04967	1.2
95.08594	3.4
97.02895	6.4
99.04464	3.4
101.02407	1.6
103.03944	5.6
104.04271	0.7
105.07039	1.7
107.08607	2.2
109.02927	2.2
109.10171	1.0
119.08591	1.1
121.10176	2.2
127.03926	6.7
128.04301	0.8
129.07082	0.8
129.79434	0.6
131.08611	1.4
133.10127	0.8
135.11729	0.7
145.04942	4.5
147.11723	1.9
149.09721	0.9
163.06058	2.4
175.11160	0.8
184.07362	2.3
193.12282	1.5
203.05379	0.9
243.08331	3.0
267.16061	1.3
277.83743	0.6
283.15103	4.6
339.17780	0.6
479.68533	0.6
501.23029	9.9
519.29163	5.3
678.14777	0.6
779.45416	100.0
780.45648	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.3
55.05505	3.2
57.03428	2.5
58.05469	0.7
59.04993	1.3
60.08147	0.9
61.02922	5.5
67.05506	9.8
69.03429	14.1
69.07058	3.5
71.01333	0.7
71.05000	4.5
73.02915	6.2
79.05498	4.6
81.03425	17.1
81.07064	10.7
83.01314	1.0
83.04984	1.3
83.08598	1.9
85.02905	60.1
86.03207	0.9
86.09721	4.7
87.04482	1.4
91.03947	3.4
91.05463	3.8
93.07053	7.7
95.04975	1.1
95.08043	1.3
95.08608	15.8
95.09221	0.8
97.02888	43.1
97.06523	0.8
97.10184	1.4
99.04455	44.2
101.02388	2.1
103.03942	69.2
105.07039	5.1
107.08602	7.1
108.04463	1.1
109.02876	20.2
109.03576	1.4
109.06505	1.2
109.10155	12.6
111.04469	0.9
115.03934	2.2
119.08583	5.8
121.10155	6.5
123.08069	1.4
123.11707	2.9
125.00019	2.9
127.03915	100.0
128.04256	2.3
131.08575	1.8
133.10146	3.5
135.11717	4.9
145.04959	60.7
145.10126	2.6
146.05304	1.5
147.11697	4.6
149.13220	2.1
157.10110	1.3
159.11671	3.3
161.09630	1.4
161.13243	4.3
161.28883	1.0
163.06017	35.4
163.14824	1.3
167.81993	0.7
169.04950	2.4
171.26346	0.7
172.24406	0.8
173.13239	1.2
175.14836	2.5
177.16434	1.6
184.07349	13.5
187.06030	6.1
189.16373	2.7
191.17937	5.3
199.06100	0.9
203.17926	5.2
205.07104	2.2
205.19539	1.3
215.17859	1.1
217.07048	1.0
217.16010	0.9
217.19519	2.7
221.15305	0.9
235.16956	3.1
247.17024	1.8
249.18483	1.6
253.07097	1.5
258.08987	1.2
261.18655	1.0
271.08105	10.7
289.09195	6.6
307.10208	4.8
308.10196	0.7
407.07690	0.8
413.17725	4.8
439.35696	14.4
440.36166	1.8
518.67059	0.9
519.29205	4.0
691.40234	57.9
727.44098	0.9
762.41003	1.1
763.41370	1.2
780.42255	7.1
781.42163	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.3
56.05031	0.6
57.03450	0.3
57.07071	0.5
58.06330	0.3
58.06627	0.6
60.08168	5.2
63.23123	0.2
67.05503	1.0
69.03400	0.2
69.07086	0.3
71.07378	3.7
71.08624	0.3
71.49718	0.2
75.55030	0.2
79.05482	0.5
81.03424	0.9
81.07056	0.8
83.08663	0.3
85.10203	0.2
86.09708	29.0
87.10042	0.5
91.05485	0.6
93.07042	0.8
95.04961	0.3
95.08598	0.6
98.22706	1.0
98.23389	0.4
98.98469	3.6
104.10741	1.9
105.07022	0.4
109.10158	0.4
121.10144	0.3
125.00009	19.8
126.00375	0.2
135.11703	0.2
147.11662	0.3
184.07349	100.0
185.07700	2.2
193.12260	0.3
238.59299	0.2
249.18478	0.2
267.15903	1.6
335.26074	0.2
341.30530	1.2
467.37161	0.3
519.40552	0.3
520.40558	0.3
533.41931	1.1
583.43304	0.3
656.36176	0.2
780.55426	1.7
781.54309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.5525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.2
56.05033	1.0
58.06627	0.5
59.07392	0.1
60.08161	7.3
67.05497	0.4
68.10612	0.1
69.07082	0.1
69.15656	0.3
69.16057	0.5
70.06588	0.2
71.07369	4.7
79.05482	0.3
81.07045	0.4
86.09701	36.7
87.10036	0.7
91.05457	0.1
93.07046	0.2
95.08580	0.2
98.98460	5.1
101.41727	0.1
103.45120	0.1
104.10739	2.5
124.99997	25.9
126.00356	0.2
143.01048	0.3
146.98087	0.1
166.02771	0.2
184.07329	100.0
185.07700	1.8
199.62167	0.1
214.96561	0.1
321.89703	0.1
323.25549	0.2
349.41769	0.1
520.33032	0.1
657.48798	0.1
780.55334	1.3
781.54620	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
55.05511	7.5
56.05865	0.2
65.03918	0.4
68.99795	0.2
69.03451	0.2
83.04980	47.8
84.05300	0.9
85.02908	0.5
101.06007	0.4
111.04442	100.0
112.04782	2.0
121.02840	0.4
125.93639	0.2
127.03889	0.5
129.05493	2.1
137.02333	0.3
137.06000	0.3
139.03899	1.7
150.03165	0.4
153.01901	2.6
153.05463	47.5
154.05797	1.4
165.01778	1.0
171.06523	4.2
178.02737	0.2
181.04977	0.6
183.02902	0.4
207.06490	0.6
213.05627	0.4
213.07603	1.6
216.04137	0.2
229.04951	0.6
231.06538	0.3
241.04843	0.2
243.02821	0.3
244.03741	0.5
255.02710	0.3
257.04294	0.4
258.05292	2.2
259.05920	1.0
261.03925	0.2
269.04434	0.8
272.03284	0.2
273.09695	2.6
274.10309	0.3
283.02390	0.3
284.03116	0.2
285.03952	0.7
286.04764	2.1
287.05490	3.7
288.05792	0.4
289.03543	0.4
291.08603	0.6
301.03430	0.4
302.04007	0.2
303.04971	0.9
308.05975	0.2
313.03537	0.2
314.04102	0.5
315.04990	1.6
331.04465	1.9
332.05255	1.4
347.07605	43.9
348.07922	2.8
374.58960	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.3
55.05505	1.3
57.03426	1.4
57.07047	0.3
60.08153	0.5
61.02920	4.9
65.03951	0.4
67.05173	0.5
67.05505	6.9
69.03431	2.6
69.07072	0.8
71.04992	0.9
71.07414	0.3
71.31576	0.3
73.02917	3.8
79.05491	2.2
80.02797	0.3
81.03413	1.6
81.07056	4.9
83.04992	0.7
83.08613	1.1
85.02910	4.9
86.09705	2.4
87.04470	0.6
91.03960	3.1
91.05466	2.5
93.07037	3.1
95.04982	0.4
95.08607	3.2
97.02890	4.9
97.06557	0.4
98.98466	0.5
99.04436	0.8
101.02367	2.1
103.03954	0.7
105.07037	1.1
107.08592	1.6
109.02933	0.8
109.10159	3.7
111.04459	0.3
111.51561	0.3
115.03962	0.3
117.06997	0.7
119.08566	1.5
121.10156	1.1
125.00027	2.1
127.03944	1.1
131.08578	0.8
133.10147	0.6
135.11729	0.7
137.09616	0.5
145.04965	0.4
145.10104	0.6
147.11687	0.7
159.11581	0.4
161.13315	0.4
163.14818	0.4
173.11775	1.0
184.07338	7.0
185.04277	0.7
185.07726	0.5
195.09805	0.7
197.32741	0.3
203.05312	0.6
209.11774	1.7
227.12782	0.7
243.08423	1.7
329.08444	0.5
335.26007	0.8
413.17871	4.1
414.17816	0.5
478.23569	0.4
519.29266	8.9
520.29816	0.6
521.38220	0.9
529.34570	0.4
691.40240	100.0
692.28485	0.8
692.40533	14.3
735.43243	0.7
736.42816	0.4
763.42047	1.2
781.43176	8.5
781.66125	0.4
782.42902	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01808	0.3
55.05414	1.0
57.03340	1.4
57.03641	0.6
57.06992	0.2
61.02826	4.6
61.03170	0.9
65.03861	0.3
67.05399	5.6
67.05801	1.0
69.03326	2.4
69.03728	0.4
69.06957	1.0
71.01274	0.4
71.04898	0.4
71.30426	0.5
73.02801	3.9
73.03248	0.7
79.05373	2.8
79.05872	0.4
81.03304	1.6
81.06938	4.0
81.07463	0.5
83.04884	0.4
83.08538	0.6
85.02780	4.9
86.09578	1.9
87.04343	0.5
91.03830	3.3
91.04441	0.4
91.05353	1.7
93.06916	3.0
95.04903	0.3
95.08477	3.0
97.02766	4.8
97.10082	0.3
98.23218	0.3
99.04314	1.0
101.02248	1.7
105.07008	1.6
107.08455	1.8
109.02754	0.7
109.06391	0.3
109.10014	3.5
109.10829	0.5
111.04295	0.4
111.07973	0.5
115.03808	0.5
119.08572	1.4
121.10122	1.6
124.99847	1.0
125.00629	0.3
127.03907	1.8
131.08441	0.6
133.09988	1.1
135.11548	0.9
137.09482	0.4
145.04840	0.6
145.09999	0.6
147.11693	0.3
159.11520	0.6
161.13118	0.4
184.07343	5.3
185.04066	0.5
185.07541	0.5
195.09792	1.2
203.05124	0.6
209.11565	1.0
229.14299	0.7
243.08424	2.2
329.08264	0.5
335.25558	0.7
376.51025	0.3
378.68494	0.3
413.17807	5.1
414.64182	0.3
519.29279	9.8
520.29584	0.9
521.38086	0.5
691.40240	100.0
692.40576	14.7
735.42560	0.8
763.42566	0.8
781.42780	9.7
782.42914	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
55.05509	1.3
57.03441	2.2
57.29108	0.4
61.02925	6.0
63.78462	0.3
67.05501	6.3
69.03432	3.4
69.07065	1.2
71.05010	0.8
71.52171	0.4
73.02910	4.4
79.05488	2.9
81.03416	1.9
81.07062	4.2
83.08609	0.8
85.02898	6.3
86.09711	1.4
87.04434	0.6
90.24657	0.4
91.03949	4.4
91.05482	1.9
93.07036	3.5
95.08601	3.8
97.02898	6.2
98.99026	0.4
99.04464	1.5
101.02405	2.0
103.03963	1.3
105.07056	1.3
107.08570	2.5
109.02888	1.1
109.10154	6.4
117.07066	0.9
119.08621	1.1
121.10158	1.6
123.11692	0.5
125.00009	1.1
127.03886	2.9
131.08601	1.1
133.10098	0.6
135.11720	0.6
145.05023	1.5
146.05287	0.4
155.10730	0.6
163.06052	0.6
173.11710	1.9
184.07324	4.1
185.04314	0.6
194.75209	0.4
195.10008	0.9
203.05295	0.7
229.14348	0.9
243.08316	2.1
335.26044	1.1
378.99789	0.5
413.17798	7.6
414.18222	0.8
519.29327	8.7
520.29938	1.2
691.40222	100.0
692.40564	15.9
717.41864	0.5
735.41461	0.6
763.42072	0.7
781.42224	8.7
782.42731	1.6
788.21741	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
55.05509	2.8
56.88769	0.5
57.03435	2.5
57.07085	2.0
60.08163	2.4
61.02930	6.6
61.03223	0.6
65.03957	0.5
67.05504	8.9
67.05836	0.7
69.03430	4.0
69.07062	3.5
69.11317	3.9
71.05006	1.7
71.07388	1.9
71.08655	1.6
73.02924	4.2
77.76984	0.4
79.05499	4.2
81.03422	3.8
81.07056	9.0
83.05004	1.1
83.08612	2.1
85.02898	5.9
85.06587	0.5
85.10165	0.9
86.09707	11.7
87.04490	0.8
87.10049	1.0
91.03965	4.0
91.05489	2.6
93.07035	4.0
95.04987	1.4
95.08614	6.4
97.02890	5.2
97.06567	0.7
97.10207	1.2
98.98502	1.7
99.04472	1.2
101.02392	1.9
103.03929	0.8
104.10749	0.6
105.07014	2.3
107.04949	0.6
107.08596	2.5
109.02895	1.3
109.06528	0.9
109.10145	3.0
111.04456	0.5
111.08088	0.7
111.11745	0.5
117.07022	0.8
119.08625	1.9
121.10156	2.3
122.44695	0.5
123.11769	1.2
125.00015	7.6
125.00848	0.6
125.09666	0.5
127.03946	1.5
129.07008	1.0
131.08609	1.5
133.10172	2.1
135.11760	0.6
143.08601	0.5
145.10178	1.2
147.11737	0.8
149.09644	1.5
149.13254	0.5
156.67552	0.5
157.10176	0.7
161.13327	0.8
163.11259	1.2
175.11316	0.5
175.61006	0.4
184.07343	35.0
185.04359	0.8
185.07750	3.3
207.55287	0.4
209.11745	0.8
227.12857	0.8
243.08322	2.5
283.15152	5.3
313.27621	1.5
337.27448	0.6
339.17822	0.6
339.29059	0.6
340.29294	0.6
433.10480	0.4
469.20557	0.6
501.23111	7.2
521.30920	6.7
521.38580	4.0
522.31488	0.7
522.38989	0.5
619.42505	0.7
654.10419	0.5
719.86737	0.5
779.53229	0.5
781.46997	100.0
782.32806	1.0
782.47192	15.7
782.60968	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.5689
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	1.0
58.06630	0.5
59.07370	0.2
60.05632	0.3
60.08164	6.6
65.91861	0.1
67.05508	0.3
70.06607	0.2
71.07374	4.4
72.37777	0.1
79.05499	0.2
81.07059	0.4
85.91842	0.1
86.09705	32.8
87.10036	0.8
93.07056	0.2
95.08595	0.3
98.23403	0.2
98.98465	4.3
98.99117	0.2
102.15646	0.1
104.10741	2.4
107.08655	0.1
109.10155	0.1
125.00001	25.7
126.00358	0.2
143.01025	0.3
151.26202	0.1
152.47493	0.1
161.85809	0.1
163.80519	0.1
184.07338	100.0
185.07687	2.3
186.07811	0.1
198.08772	0.1
264.10098	0.1
502.32556	0.2
520.34149	0.3
599.49908	0.2
782.44250	0.5
782.57111	1.7
783.44409	0.2
783.57019	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.5691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.3
55.05505	0.8
56.05031	1.0
57.03443	0.6
57.07080	0.7
58.06598	0.4
60.08163	7.6
67.05498	1.5
69.07054	0.3
71.07373	5.2
71.08638	0.5
77.74957	0.2
79.05499	0.8
81.07049	1.1
85.10162	0.3
86.09706	36.9
87.10056	1.1
87.10513	0.3
91.05479	0.7
93.07042	0.7
95.04950	0.5
95.08617	0.4
98.98457	5.2
104.10726	2.2
105.07018	0.7
107.08574	0.5
109.06522	1.0
109.10163	0.4
110.51497	0.2
113.06013	0.5
119.08550	0.4
121.10065	0.3
125.00003	29.3
131.08510	0.3
135.08075	0.4
143.01082	0.3
147.08014	0.3
166.02666	0.2
184.07341	100.0
185.07738	3.2
186.07820	0.7
205.91727	0.3
228.88910	0.2
244.99362	0.2
273.18445	0.5
291.19458	0.7
313.27286	0.8
329.24506	0.3
365.22589	0.2
422.14780	0.3
603.45819	0.7
610.61969	0.3
626.05365	0.3
782.57031	1.6
783.56696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.1
56.05037	0.8
58.06629	0.4
58.08369	0.1
59.07398	0.1
60.08163	6.1
67.05506	0.5
69.07079	0.1
69.40353	0.7
70.06590	0.1
71.06979	0.2
71.07373	3.8
79.05495	0.2
81.07046	0.3
86.09705	30.2
87.10040	0.7
91.05499	0.1
93.07056	0.2
95.08595	0.4
98.98460	3.6
104.10741	2.0
105.07004	0.2
107.08611	0.2
109.10166	0.2
119.08559	0.2
121.10178	0.1
125.00003	21.5
126.00372	0.3
134.43690	0.1
143.01050	0.4
145.10080	0.2
159.11685	0.1
166.02563	0.1
173.38911	0.1
184.07339	100.0
185.07706	2.0
186.07779	0.2
311.09116	0.1
520.33624	0.2
661.34363	0.1
782.56897	1.3
783.56537	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.65587	0.6
90.75208	0.5
109.02531	1.0
123.04356	1.1
137.05890	1.2
139.03760	1.2
152.04324	1.0
177.09102	0.7
179.06770	1.1
249.10944	4.3
252.10086	0.5
263.12418	0.6
296.15167	0.6
333.43503	0.6
370.04123	0.7
373.96841	0.6
411.16016	1.0
435.16418	0.5
455.20432	0.9
483.23502	1.4
501.24741	1.4
511.23346	1.8
513.24792	1.2
515.22437	1.6
529.24072	7.9
531.25610	2.4
539.23260	0.7
541.23920	1.6
557.23389	2.0
559.25256	4.8
575.24805	3.9
578.06061	0.7
593.26099	1.0
603.24127	13.8
604.24475	2.3
621.25177	94.3
622.25433	10.6
631.27753	0.7
663.26874	1.2
691.28851	0.9
723.28430	2.6
765.29260	1.6
783.30402	100.0
784.30762	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
56.05031	0.7
67.05502	0.5
68.05049	0.2
68.31674	0.2
69.07069	0.8
69.50458	1.3
71.08624	1.0
78.97401	0.2
79.05489	0.3
81.07058	0.5
86.09701	100.0
87.10029	1.7
91.05476	0.8
93.07037	0.4
95.08617	0.3
98.09686	1.5
103.05452	0.8
105.07034	1.4
109.10119	0.4
112.11237	7.3
117.07024	0.3
119.08555	0.3
120.08098	41.0
121.08449	1.2
129.06987	0.3
132.08038	0.4
133.10069	0.3
146.09613	2.2
154.15895	17.9
155.16243	0.9
157.12068	0.5
157.13358	10.3
158.13759	0.2
167.11833	0.3
182.15399	0.3
183.18622	0.2
184.07269	0.6
185.12849	13.4
186.13185	0.4
188.14334	6.8
189.14653	0.3
191.11832	0.4
199.18040	15.7
200.18355	0.7
209.16420	0.7
219.11320	0.9
225.19601	7.2
226.19926	0.5
227.17526	13.0
228.17813	0.5
232.97498	0.2
233.16476	15.2
234.16734	0.8
235.17950	0.5
237.15945	0.3
243.14883	0.8
244.20360	0.2
247.10533	0.2
253.19118	7.2
255.16959	0.2
259.18048	2.2
261.15976	13.5
262.16257	0.9
267.24319	6.8
268.24390	0.3
280.20102	0.5
287.17523	2.4
295.23785	3.9
298.21225	6.7
299.21338	0.5
301.22729	6.8
302.22946	0.5
311.21042	0.4
314.18420	0.3
322.24857	0.3
329.22208	4.1
332.19672	4.7
333.19760	0.4
340.25891	2.5
356.23187	0.7
366.27509	2.1
367.27640	0.3
374.24319	4.0
377.38589	0.3
383.30081	1.5
393.21832	0.3
400.25970	3.0
401.26337	0.4
408.32089	0.7
411.29678	4.2
412.30023	0.3
417.28497	1.5
425.34494	0.4
442.30725	1.8
445.28079	4.6
446.28159	0.3
453.34085	0.7
459.33359	1.2
473.27225	0.2
479.35904	2.0
480.36212	0.4
485.34634	0.5
487.32849	1.8
496.38620	1.1
513.34473	3.1
514.34558	0.4
524.30750	0.4
524.37964	3.7
525.38068	0.4
527.39148	0.4
530.37048	2.3
555.38831	1.6
558.36462	8.3
559.36365	0.9
568.34528	0.5
572.40826	0.7
586.35602	0.3
592.44257	1.1
598.42694	0.4
600.40973	1.3
609.46997	0.4
626.33154	0.4
626.42731	5.8
627.42462	0.8
637.46619	1.4
643.45337	4.4
644.45319	0.7
653.43298	0.9
668.46765	0.7
671.44806	11.8
672.45074	2.0
705.13037	0.3
713.48914	0.3
739.51105	2.6
740.51221	0.4
756.53888	3.5
757.53241	0.5
766.52063	1.4
767.52368	0.4
784.53253	3.6
785.52411	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.2
57.07078	3.7
58.06595	0.4
58.07397	0.1
62.06067	0.2
68.05042	0.1
70.06593	6.6
71.08632	1.7
74.06097	0.1
82.55475	0.1
85.10175	0.5
88.07629	9.8
89.07917	0.2
98.23433	0.3
102.09181	2.9
106.08665	5.0
121.24940	0.1
132.61905	0.1
165.97925	0.1
184.07536	0.1
192.34117	0.1
212.23788	0.2
230.24751	0.5
256.26349	4.3
257.26840	0.3
274.27393	100.0
275.27740	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.7
60.08170	6.7
64.77177	1.1
67.05502	4.0
69.07082	1.7
71.07359	3.1
71.08611	1.6
71.30375	1.9
79.05495	2.9
81.07070	5.6
83.04979	7.4
83.08649	1.4
86.09708	29.9
87.10028	3.5
91.05487	3.7
93.07056	3.9
95.08595	3.5
98.98492	4.3
104.10743	2.3
105.07035	3.5
107.08601	3.3
109.10161	2.0
119.08591	2.6
121.10159	2.3
124.99999	25.6
127.10793	1.0
130.07846	1.5
131.08553	2.4
133.10106	1.7
145.10115	7.1
147.11671	2.6
159.11681	2.5
161.41435	1.2
184.07350	100.0
185.07675	10.8
186.07791	2.3
201.16373	7.1
203.18036	1.5
309.07428	1.2
313.07141	1.6
313.27460	1.8
341.10281	2.9
355.11691	2.4
356.81638	1.2
383.11087	1.9
407.27103	1.2
488.01193	1.2
510.54398	1.4
571.14026	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.8
56.05031	1.5
57.07074	0.7
60.08163	8.3
63.43645	0.6
63.99539	0.7
67.05493	2.7
69.07040	1.7
69.53336	3.6
71.07375	5.0
79.05473	1.9
81.07061	3.4
83.04985	17.5
86.09708	44.7
87.10032	0.8
91.05469	2.8
93.07040	2.3
95.08602	5.2
98.98466	5.3
101.86746	0.6
104.10754	4.1
105.07027	5.8
107.08633	3.0
107.09232	0.7
109.10146	1.8
115.74957	0.6
117.06997	2.0
119.08598	3.7
121.10152	1.5
125.00005	32.6
130.07759	0.9
131.08600	3.4
132.05707	1.1
133.10110	1.3
143.08586	1.5
144.09271	0.8
145.10126	17.0
146.10851	1.0
147.11713	1.2
157.10075	0.8
159.11684	8.0
173.13277	1.3
177.35675	0.6
184.07344	100.0
185.07698	2.3
186.07780	0.8
199.14935	0.8
201.16397	8.6
202.16928	0.8
207.10141	1.5
224.08331	0.7
229.08704	0.7
241.69928	0.7
255.10069	1.1
265.05179	0.8
265.08563	1.1
267.06461	0.7
271.09631	0.7
278.16940	0.7
280.07336	0.6
281.08267	0.8
282.08807	0.9
283.05881	0.9
284.06546	1.0
285.07489	2.1
286.08350	0.8
294.08722	0.8
295.06149	1.1
295.09589	1.5
296.07031	0.7
297.07495	0.8
298.08322	1.5
301.07266	0.9
309.07660	1.2
310.08646	0.8
311.09146	2.8
312.09827	0.8
313.10629	1.2
315.08710	1.1
317.57660	0.7
323.09082	1.2
325.10641	1.0
327.08591	1.0
327.12155	1.0
328.09393	1.7
337.10541	0.7
339.08600	0.8
341.10272	4.8
343.07959	1.3
343.11752	1.1
353.10437	1.4
355.11661	3.1
357.13312	1.2
383.11237	4.5
385.12708	2.4
396.12125	1.0
397.12695	1.3
467.36993	1.1
528.24945	0.9
541.25989	2.2
571.21558	0.7
585.28290	1.2
598.29211	0.8
785.46875	0.7
786.52716	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.9
56.37066	0.6
57.03430	0.8
61.02918	0.8
62.26406	0.6
67.05479	0.8
68.99775	0.8
69.03428	2.9
70.06820	1.8
79.05489	1.4
81.03416	3.6
81.07050	0.9
83.04983	4.1
84.98336	0.8
85.02896	6.5
93.07035	1.3
95.04989	1.1
97.02888	3.0
97.06547	0.8
105.03383	2.1
105.07018	1.2
107.08550	0.8
109.02880	2.8
109.10124	1.5
127.03912	2.8
139.03906	0.9
141.94160	0.7
145.06424	0.8
153.06969	1.2
156.98830	0.7
159.11676	0.7
165.05640	0.9
165.07008	1.8
167.08583	2.5
177.07010	2.2
178.07797	0.8
179.08566	1.9
181.06483	2.9
183.08028	1.3
184.07263	0.8
187.06003	1.4
193.06520	0.9
195.08061	6.8
196.08717	1.2
197.05998	2.0
197.09544	1.3
198.06711	0.8
205.06479	5.4
206.07060	0.7
207.08015	2.9
208.05258	1.8
209.05963	1.5
209.09653	0.7
210.06732	2.6
211.07524	2.3
212.04791	0.7
213.05373	1.3
215.07005	0.6
221.05975	3.9
222.06781	1.9
223.07545	9.4
224.04701	1.6
224.08278	3.5
225.05492	2.3
225.09067	3.7
226.06209	2.7
226.09460	0.9
227.07076	2.4
233.05974	4.6
234.06650	0.9
235.07619	3.1
236.04616	3.1
236.08241	1.0
237.05428	3.2
237.09067	0.9
238.06175	4.6
239.07138	3.9
239.10692	1.7
240.04196	1.7
240.07761	2.5
241.08594	3.1
249.05449	3.4
249.09120	0.7
250.06200	3.1
251.07039	24.0
252.03865	0.9
252.07684	5.0
253.04834	2.3
253.08582	11.9
254.05779	2.8
254.09004	1.5
255.06500	3.2
255.10246	0.9
263.07016	2.6
264.07748	1.0
265.04950	2.0
265.08664	1.7
266.05676	5.5
267.06592	3.6
267.10141	3.3
268.04230	0.7
268.07285	4.3
269.04520	0.7
269.08069	2.2
270.05478	1.0
270.08801	1.6
271.05908	1.2
277.04877	1.1
277.08646	1.5
278.05853	3.3
279.06509	32.5
280.07141	5.8
281.04648	2.1
281.08057	21.6
282.05554	1.6
282.08774	3.5
283.06015	5.6
283.09647	4.9
284.06668	1.6
285.04337	1.5
285.07605	3.2
285.10971	1.5
286.04684	4.7
291.06567	1.7
292.07169	2.2
293.04703	1.4
293.08017	2.3
294.05164	3.8
294.08493	1.4
295.06012	4.3
295.09625	4.4
296.06766	3.9
296.09781	1.0
297.07538	2.5
297.11102	1.8
298.05005	0.8
298.08286	1.9
299.05530	2.4
299.08871	0.8
300.06235	4.8
301.07016	7.8
307.09576	1.8
308.06903	1.7
309.07578	13.4
310.08292	4.0
311.05496	2.0
311.09079	23.3
312.09546	3.0
313.07013	5.5
313.10663	4.8
314.07770	2.6
315.08612	7.6
323.09076	2.5
325.10693	25.5
326.07782	7.7
326.11194	1.5
327.08606	4.5
328.09357	14.0
329.09888	1.6
335.09204	3.1
337.06931	1.0
341.10187	100.0
342.10541	6.9
343.11755	37.8
344.12051	2.0
345.09894	1.4
352.09293	1.6
353.10181	6.5
355.11765	2.0
356.08820	4.6
357.13409	2.5
367.11774	4.9
370.10394	1.5
385.12802	43.8
386.13132	3.2
503.15475	38.2
504.15802	3.8
585.87891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.9
55.05511	7.8
56.05032	1.2
57.07087	1.0
57.98790	1.4
58.99589	15.7
64.06642	0.9
65.03947	1.2
67.05504	11.0
69.03425	2.8
69.07053	1.7
70.02949	2.5
71.09461	0.7
76.02228	61.5
76.04003	3.2
79.05481	5.8
81.03436	1.0
81.07060	8.1
83.04981	16.4
83.06096	1.4
83.08612	1.5
84.04506	14.2
85.06541	2.8
86.99055	3.1
88.02225	2.1
91.05479	14.4
93.07047	19.9
95.04974	4.5
95.05469	0.7
95.08609	20.8
97.02863	0.8
97.06538	1.7
98.23352	1.8
99.04485	1.1
99.05563	1.7
103.05467	1.0
105.04536	0.8
105.07027	16.1
107.08601	8.5
109.06523	4.2
109.07657	3.3
109.10156	3.1
111.04443	9.6
111.08083	10.1
113.06038	1.1
114.03749	0.7
115.05446	2.4
116.01681	16.0
116.06280	0.8
117.07032	7.4
119.08582	23.0
121.06518	4.0
121.10154	4.1
123.08074	4.4
125.06030	1.1
125.95370	0.7
128.06218	4.2
129.07019	9.3
130.05003	8.3
130.07840	1.7
131.08566	12.2
132.82993	0.8
133.06480	3.4
133.10129	15.9
134.10382	0.8
135.08060	3.4
135.11656	2.2
137.05975	1.1
138.12067	0.7
139.03973	1.1
139.07553	6.4
141.06992	4.5
141.09178	0.7
142.03204	7.9
142.07787	7.2
143.08565	13.0
144.01151	8.1
144.09329	1.9
145.06070	9.9
145.10124	12.0
147.08040	4.7
147.11691	10.4
149.04149	0.8
149.09650	2.8
153.06906	2.5
154.07758	1.4
155.08536	15.4
156.09372	6.5
157.06499	1.6
157.10124	19.1
158.10643	1.1
159.08099	2.7
159.11693	9.2
160.08806	0.8
161.04192	0.9
161.09621	6.0
161.13319	1.7
162.02197	22.5
162.03564	1.3
163.05748	1.0
163.11119	1.1
165.06985	3.4
166.07806	1.2
167.08545	5.3
168.09348	3.1
169.06317	1.0
169.10143	10.2
170.02763	3.1
170.10899	3.3
171.08057	2.1
171.11690	14.3
172.08894	0.9
173.09608	4.3
173.13264	3.8
175.05823	1.2
175.11192	10.0
177.03394	1.3
178.07857	2.1
179.04852	36.3
179.08511	6.3
180.05219	0.8
180.09337	3.3
181.06198	1.5
181.10091	10.5
182.10933	3.0
183.08072	1.9
183.11691	9.0
184.08810	1.4
184.12480	1.2
184.69296	0.7
185.03841	1.8
185.09608	3.1
185.13301	5.8
187.05478	2.7
187.11203	3.2
189.07285	2.2
189.12735	5.3
191.08661	2.1
191.14348	0.8
192.09274	3.9
193.10130	9.1
193.11841	1.4
194.10881	3.6
195.08049	1.6
195.11684	10.3
196.12498	2.8
197.09637	3.3
197.13248	6.3
199.05505	1.0
199.07274	1.8
199.11143	10.3
199.14847	2.6
201.07370	1.2
201.09171	1.3
201.12741	2.1
203.08664	2.9
203.10570	0.9
204.09326	2.4
205.10185	6.8
205.12024	1.3
206.10895	5.0
207.11690	12.8
208.12469	3.4
209.09648	2.3
209.13245	8.7
211.11192	2.6
211.14882	3.6
213.07202	1.1
213.09068	1.0
213.12778	3.9
215.04927	1.4
215.08662	2.3
215.14328	3.0
216.09416	1.8
217.10115	5.2
217.12277	6.9
218.10855	4.4
219.11713	13.4
220.12393	4.0
221.09735	1.4
221.13239	12.8
222.13974	2.0
223.11430	3.4
223.14845	14.4
224.11833	1.2
224.15289	1.4
225.07280	1.1
225.12788	7.0
227.10695	1.3
227.14317	2.6
229.10092	2.4
230.10919	2.9
231.04340	2.6
231.11714	8.3
231.13843	1.4
232.12473	4.0
233.05925	11.9
233.13272	10.8
233.15381	0.9
234.10481	1.0
234.13991	3.4
235.11128	1.9
235.15143	6.2
236.12041	1.3
236.15224	1.2
237.12721	2.9
237.16382	1.9
239.14299	6.2
241.12277	2.1
243.11728	2.8
243.13849	0.9
244.12500	1.7
245.05971	2.1
245.13257	9.4
245.15454	2.3
246.13983	5.4
247.11177	2.3
247.14824	10.6
248.11964	0.9
248.15520	1.9
249.09599	1.1
249.12732	4.2
249.16449	5.4
251.14287	4.3
251.17978	1.0
253.12456	1.1
255.11636	1.8
255.13887	2.2
256.12494	1.8
257.13245	3.1
257.15479	2.4
258.14029	2.6
259.12085	1.2
259.14825	10.5
260.12164	0.7
260.15475	3.5
261.12766	3.1
261.16394	9.4
262.17130	2.2
263.14334	3.6
263.18054	3.5
265.12323	2.2
265.15826	1.3
267.13858	3.7
268.12256	1.0
269.13043	1.2
270.14096	1.1
271.14804	3.3
272.15543	2.7
273.12750	1.2
273.16440	4.9
274.10312	1.4
274.17105	2.4
275.11475	1.1
275.14319	3.5
275.17953	5.4
276.18576	1.5
277.15875	3.2
277.19495	2.4
278.20267	0.8
279.14148	1.4
279.17374	1.1
281.15640	1.2
283.17139	1.2
284.15424	1.8
285.12906	0.8
285.16406	2.9
286.13644	1.1
286.16858	1.5
287.14362	2.8
287.17963	5.3
288.15225	0.8
288.18457	1.4
289.12823	1.0
289.15833	3.1
289.19482	4.5
290.08350	0.9
291.06735	0.9
291.14163	1.4
291.17313	1.2
291.20929	1.0
293.15588	1.6
295.16879	2.3
297.16238	1.4
298.16968	1.0
299.14374	1.5
299.17834	1.5
301.15900	3.2
301.19537	3.3
302.16583	1.2
302.20178	1.1
303.14120	1.1
303.17447	5.1
303.21127	2.9
304.18240	1.2
305.15369	2.8
305.19141	1.9
307.16913	2.7
308.09091	39.8
309.09445	2.3
311.17899	1.0
313.19571	1.2
315.17355	1.4
316.21796	1.2
317.19025	1.1
319.16971	3.3
320.17670	1.3
321.18500	2.6
322.19315	1.4
323.20056	2.0
327.17484	1.5
329.18900	5.0
330.19415	1.0
331.20587	2.6
333.18503	1.4
333.22092	1.4
341.19193	1.5
343.20544	1.8
344.21326	1.4
345.18207	1.2
347.20172	6.8
348.20639	0.9
349.21548	2.1
351.23096	0.8
355.20483	1.5
361.16174	0.8
361.21552	1.7
362.22400	5.2
363.23096	1.6
369.22159	1.3
385.21927	0.9
393.18036	0.9
397.25311	3.5
401.20544	1.9
401.25128	1.8
407.24094	1.0
415.26340	5.9
416.27258	0.9
417.27972	5.4
418.28513	1.4
419.26019	4.4
425.24753	8.3
426.25125	2.3
433.22977	0.7
433.27524	5.9
443.25787	20.2
444.26099	2.3
459.25336	4.4
461.26852	100.0
462.27295	13.6
475.22806	4.5
479.27957	7.8
493.24020	15.3
493.30563	1.2
494.24557	2.8
501.24469	1.3
519.25531	5.5
536.28241	6.6
537.28491	1.1
595.32220	1.5
604.26569	0.9
622.28558	1.8
639.30963	36.8
640.31232	7.6
657.31720	2.6
693.32056	12.9
694.32104	2.2
711.32727	4.1
712.33875	1.1
768.35162	3.7
786.36096	1.8
792.54340	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.0
55.05240	0.9
55.05512	18.4
57.03192	1.3
57.03443	15.0
57.07073	3.6
59.05006	3.6
60.08147	1.1
61.02929	3.1
62.66252	0.6
65.03936	3.0
67.05506	100.0
68.05843	2.1
69.00389	7.0
69.03439	3.3
69.07068	14.6
71.05000	5.8
71.07362	1.1
73.02934	0.9
77.03957	1.0
79.05495	36.3
80.05830	1.2
81.03417	9.4
81.07059	52.0
81.38938	0.7
82.07391	0.9
83.04987	10.9
83.08624	9.0
85.02898	6.3
85.06540	3.1
86.09700	4.2
87.04464	1.0
91.03992	1.1
91.05483	30.8
92.08713	0.8
93.07042	41.9
94.07388	1.4
95.04970	8.7
95.08607	38.2
96.08929	1.1
97.02908	3.0
97.06553	4.4
97.10162	3.6
98.98450	0.8
99.04485	0.9
99.08048	1.0
103.05490	1.1
105.04539	1.0
105.07034	19.5
107.04967	6.7
107.08598	22.4
108.85038	0.6
109.06532	6.7
109.10156	57.4
110.10498	2.1
111.04442	2.3
111.08079	4.2
112.70261	0.7
115.05456	1.1
117.07007	10.2
117.07717	0.9
119.08578	18.8
120.08958	0.9
121.06522	6.8
121.10144	18.4
123.04475	1.2
123.08117	3.1
123.11718	4.1
125.00023	3.3
125.05995	1.1
125.09648	2.8
128.06201	1.4
129.07037	2.5
131.08575	13.9
132.08926	1.1
133.06477	0.9
133.10138	13.2
134.10451	0.9
135.08076	2.6
135.11703	10.7
137.09595	4.2
137.13274	1.0
139.11253	1.0
141.07016	2.2
142.07832	1.0
143.08589	2.9
145.06459	1.4
145.10130	11.3
147.08061	0.9
147.11703	6.6
149.09668	1.2
149.13272	5.4
151.14839	1.1
155.08617	1.7
155.10611	3.6
157.10143	3.3
159.08057	0.9
159.11690	10.0
161.09592	1.5
161.13298	5.2
163.11183	1.4
163.14848	3.7
169.10133	2.7
171.11710	2.4
173.09595	0.9
173.10014	0.7
173.11786	15.4
173.13300	5.6
175.14880	1.7
177.12805	2.4
179.10616	1.3
181.10120	1.0
183.11685	1.8
184.07336	11.8
185.13303	1.5
187.11243	2.8
187.14828	1.0
189.11356	1.4
189.12793	1.3
194.81059	0.7
195.11752	0.8
197.13322	1.0
199.14896	1.3
201.12823	0.9
201.16354	1.8
205.12306	2.8
205.15912	0.8
208.67490	0.8
217.15891	1.0
219.17476	1.3
223.13281	10.7
225.16321	0.9
227.12724	3.7
229.14348	59.0
230.14746	2.3
237.14835	1.5
239.18073	0.8
243.21043	4.4
251.27843	1.0
259.20642	1.0
261.22137	13.8
262.22513	1.1
275.20151	2.9
279.16052	2.4
297.16971	19.0
298.17426	1.0
299.23746	1.0
317.24899	2.8
329.24835	1.0
333.24380	1.4
335.25800	67.1
336.26242	6.1
367.18796	4.5
407.25662	3.7
425.27148	2.1
447.32639	1.1
465.26196	2.3
465.33133	1.6
483.34644	1.3
489.35776	29.8
490.36249	3.0
507.37021	1.7
539.37665	3.7
557.38300	10.6
558.38446	1.8
569.27191	4.0
575.39447	2.9
603.42267	1.1
607.43182	1.0
627.47162	0.9
696.66113	0.9
786.49487	1.0
787.44153	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87601	0.2
55.05503	0.6
55.27843	0.1
56.05044	0.8
56.68753	0.1
57.07055	0.3
57.91203	0.2
58.06620	0.5
60.08166	5.7
67.05498	0.6
67.81916	0.2
69.07076	0.4
70.81059	0.4
71.04963	0.2
71.07378	3.4
71.08598	0.2
75.32050	0.2
79.05515	0.4
81.07050	0.3
83.04974	0.3
83.08637	0.2
83.21940	0.1
86.09708	29.0
87.10034	0.5
91.05488	0.2
93.07038	0.3
95.04955	0.1
95.08595	0.5
98.98466	3.2
104.10048	0.2
104.10741	3.5
105.07019	0.3
107.08579	0.2
109.10159	0.7
118.36457	0.2
119.08643	0.2
125.00005	19.8
143.01071	0.3
145.10136	0.6
178.96648	0.2
180.70013	0.2
184.07346	100.0
185.07733	2.0
201.16405	0.2
202.16721	0.2
230.31381	0.2
274.70880	0.2
306.28073	0.2
313.27560	0.3
422.33777	0.2
423.28445	0.1
467.37259	0.8
525.41797	0.4
641.16626	0.2
768.51587	0.3
786.52795	5.8
787.52991	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.2
56.05036	1.1
57.07072	0.2
58.06617	0.4
59.07401	0.3
60.08164	7.8
61.50433	0.1
63.31336	0.1
66.76630	0.1
67.05495	0.4
67.41331	0.1
69.07062	0.2
69.37991	0.5
69.73983	0.1
70.06581	0.2
71.07375	4.7
71.08620	0.2
72.07697	0.1
73.07686	0.1
79.05480	0.2
81.07047	0.3
83.04974	0.1
85.35011	0.1
86.09705	37.6
87.10019	0.6
91.05489	0.2
93.07025	0.1
95.08593	0.2
98.23295	0.2
98.98465	4.2
104.10746	3.4
105.07046	0.1
107.08578	0.1
109.10153	0.3
116.99535	0.1
125.00005	25.2
126.00323	0.3
133.21585	0.1
134.33652	0.1
143.01089	0.3
161.13190	0.1
161.15015	0.1
166.02689	0.1
184.07343	100.0
185.07713	1.7
186.07796	0.2
228.97937	0.1
306.28104	0.1
420.62149	0.1
467.37091	0.1
496.34415	0.1
530.29095	0.1
557.44885	0.1
634.98993	0.1
768.51648	0.3
786.52722	3.9
787.52887	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.7
56.05033	1.1
56.50293	0.2
57.03439	0.3
57.07069	0.5
58.06607	0.5
58.60159	0.1
60.08165	6.0
67.05504	1.0
69.07056	0.5
71.07373	3.6
71.08599	0.3
79.05483	0.7
79.93227	0.1
81.03403	0.7
81.07069	0.8
83.04974	0.6
83.08614	0.5
86.09705	33.0
87.10040	0.8
91.05476	0.6
93.07063	0.8
95.04946	0.2
95.08604	0.7
96.08943	0.2
98.22535	0.4
98.98474	3.8
104.10744	4.0
105.07036	0.4
107.05000	0.2
107.08559	0.5
109.10142	0.4
117.07071	0.2
119.08581	0.5
121.10110	0.3
125.00005	23.6
126.00384	0.3
131.08607	0.2
133.10153	0.4
135.11649	0.2
143.01047	0.5
145.10178	0.2
147.11722	0.5
157.10138	0.3
184.07341	100.0
185.07669	1.9
193.12192	0.3
211.13322	0.8
212.13574	0.3
267.16064	0.2
274.25800	0.2
285.17032	0.5
286.17499	0.2
286.45615	0.2
313.27441	0.6
314.27621	0.3
470.61093	0.2
496.34726	0.2
499.24036	0.2
523.39856	0.3
525.40344	0.3
561.37317	0.3
768.50873	0.7
786.52612	5.6
787.53497	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2289
Annotation	Isorhamnetin 3-galactosyl-(1->4)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.05485	0.2
57.03445	1.3
61.02930	1.7
69.03390	0.4
70.06557	0.3
71.01305	0.2
71.04999	8.8
71.05365	0.3
71.29439	0.2
73.02877	0.6
74.97633	0.1
75.04437	0.4
81.03378	0.3
83.04939	0.5
85.02911	10.9
86.03223	0.3
87.04448	0.2
91.03975	0.9
92.02565	0.3
93.03381	0.5
97.02882	1.0
98.05018	0.1
99.04427	0.3
99.69650	0.2
111.00735	0.3
111.04415	0.3
121.02848	0.4
123.04436	0.3
126.03097	0.3
127.03890	0.4
129.05482	2.4
137.06009	0.2
139.03925	0.8
145.04935	0.4
147.06483	0.7
151.03941	0.8
153.01826	4.3
163.03877	0.2
165.01794	0.7
201.05409	0.4
203.03374	0.2
217.04933	0.3
218.05792	0.3
228.04175	0.6
229.04994	1.9
231.02783	0.2
243.06410	0.2
245.04443	0.5
246.05246	1.2
257.04465	1.9
260.03134	0.4
273.03876	1.1
274.04742	3.7
275.04977	0.4
284.03220	0.2
285.01028	0.3
285.03979	3.5
286.04306	0.3
302.04224	10.8
303.04477	0.8
317.06558	100.0
318.06906	6.1
318.10641	0.2
359.07681	0.6
360.92889	0.2
461.10934	0.2
479.11871	21.3
480.12305	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.9
55.05511	27.0
56.05841	1.4
57.03444	9.5
57.07072	4.6
59.04983	1.7
61.02932	5.4
65.03935	3.2
67.05502	59.9
68.05833	2.6
69.02827	3.3
69.03236	7.0
69.03490	4.7
69.07069	17.5
71.04991	4.1
73.02897	1.7
75.05735	1.4
77.03883	1.7
79.05492	49.7
81.03436	6.4
81.07056	57.1
83.04987	5.3
83.08630	11.3
85.02915	4.1
85.06551	2.6
86.09713	5.8
89.49781	1.2
91.03986	2.8
91.05479	57.0
92.05835	1.9
93.07040	52.9
94.07368	3.0
95.04960	8.2
95.08607	41.2
96.08949	1.3
97.02897	4.6
97.06525	6.1
97.10171	5.8
98.23359	2.5
103.05485	3.3
105.04513	1.3
105.07028	45.7
107.04963	5.1
107.08592	23.1
109.06519	7.8
109.10159	13.7
111.08089	2.8
115.05474	4.2
116.06246	3.3
117.07017	31.5
118.17110	1.2
119.08582	27.3
120.10213	1.4
121.06523	4.2
121.10130	13.6
123.08039	7.2
123.11710	3.5
125.00016	2.7
125.09621	3.1
127.03896	1.7
128.06219	18.1
129.07007	21.4
130.07843	6.6
131.08563	50.5
132.08949	1.6
133.06468	6.4
133.09177	2.4
133.10112	19.1
135.08047	5.0
135.11673	8.7
137.05969	2.0
137.09607	2.6
139.11212	2.5
141.07004	10.1
141.09218	1.8
142.07797	5.4
143.08559	54.4
144.09102	1.7
145.06496	2.3
145.10120	56.7
147.08073	10.0
147.11642	6.6
149.09630	4.5
149.13284	3.6
151.07463	1.5
151.11203	1.7
155.08594	7.4
156.09305	1.4
157.10130	17.3
159.08075	4.7
159.11682	13.5
161.09610	8.3
161.13239	1.7
163.11218	2.5
163.14923	1.7
165.06979	1.8
167.08607	3.3
169.10133	10.0
171.07959	1.6
171.11676	12.4
173.09631	2.8
173.13268	7.1
175.11205	4.2
175.14871	1.4
177.12775	5.2
180.09413	1.2
181.10115	10.4
183.11713	7.7
184.07338	17.7
185.09590	1.6
185.13263	5.6
187.11229	3.0
187.14908	2.2
195.11697	14.5
197.13216	2.5
199.11154	1.4
199.14949	2.0
201.12776	1.9
203.12598	1.3
209.13161	1.8
211.14861	2.5
213.12744	1.7
225.13002	1.2
227.17995	4.3
229.14270	1.6
231.13673	1.6
237.16367	14.0
241.14307	2.4
245.18987	3.3
255.17397	16.6
256.17773	1.8
261.22192	4.2
271.53616	1.1
273.18488	43.8
274.18820	3.2
275.20053	2.4
283.01932	1.9
291.19577	2.3
329.21182	3.9
335.25790	100.0
336.26331	6.5
347.22128	21.1
348.22446	1.5
367.18713	6.8
465.26260	2.9
484.60077	1.6
524.40619	1.6
525.39453	1.6
561.37427	3.5
569.27228	8.0
607.43512	27.1
608.43964	3.8
625.44159	2.2
635.32349	1.5
787.43036	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.9
55.05268	2.1
55.05516	25.4
56.49848	1.3
57.03442	10.6
57.07075	4.4
59.05019	1.5
60.08151	3.3
61.02932	6.9
65.03928	5.2
67.05508	59.9
69.03423	5.0
69.07069	19.5
71.04985	2.3
73.02901	1.9
73.04448	1.6
74.34055	1.4
79.05493	53.2
81.03421	7.6
81.07057	63.9
82.07410	1.7
83.04967	6.7
83.08614	12.6
85.02901	7.5
85.06520	2.5
86.09701	12.3
91.05482	66.5
92.05774	2.4
93.07044	51.7
94.07362	3.0
95.04990	8.1
95.08607	46.7
97.02902	5.1
97.06538	5.5
97.10157	6.9
98.22567	3.5
98.98463	1.6
99.08099	2.0
103.05492	3.9
105.04533	2.6
105.07031	45.9
106.07330	2.1
107.04943	2.9
107.08601	25.1
109.06525	9.7
109.10166	15.3
111.08122	2.9
115.05450	6.2
116.06238	4.4
117.07027	31.3
118.07338	1.4
119.04941	1.5
119.08578	31.0
121.06509	6.2
121.10139	19.8
122.10430	2.2
123.08078	6.3
123.11718	4.6
125.00008	6.4
125.09608	3.3
128.06227	17.7
129.07008	18.8
130.07846	8.1
131.08566	60.6
132.08914	2.0
133.06487	7.5
133.10121	17.6
135.08104	6.7
135.11684	10.2
137.06052	1.5
137.09595	3.4
139.11122	2.6
141.06979	7.9
141.09155	2.0
142.07774	4.5
143.08565	56.2
144.09116	2.0
145.06503	4.3
145.10126	51.7
147.08034	9.6
147.11665	10.3
149.09631	5.1
149.13258	5.0
154.07762	2.6
155.08534	8.9
156.09358	2.2
157.10110	18.3
159.08035	5.7
159.11671	15.9
161.09587	10.3
161.13272	4.0
163.11182	5.2
165.06923	3.1
167.08556	3.1
169.10129	12.4
171.11662	12.1
172.12360	1.5
173.09612	3.9
173.13255	4.2
175.11140	6.8
177.12726	4.9
179.08627	1.8
181.10107	9.2
183.11714	6.6
184.07349	36.3
185.07648	1.8
185.13290	4.8
187.11137	3.5
187.14861	3.4
193.12105	1.5
195.11702	18.4
197.13231	3.3
199.11166	3.2
199.14758	2.7
201.12703	2.7
209.13210	3.3
213.12720	4.1
213.16380	2.0
227.18001	5.4
229.57954	2.1
231.13895	1.5
237.16409	13.7
238.16782	2.1
241.14552	2.1
245.18988	4.7
255.17429	18.0
261.22147	5.2
273.18509	50.5
274.18823	2.7
275.20157	2.1
283.01718	1.6
291.19849	1.8
314.27982	1.5
327.40585	1.4
329.21082	5.5
335.25800	100.0
336.26254	7.3
347.22113	24.6
367.18832	20.6
368.19043	2.1
465.26080	6.1
469.51846	1.4
500.51151	2.0
561.37317	4.8
569.27191	18.9
607.34631	2.4
607.43536	30.8
608.43451	5.3
625.44574	2.7
733.49866	1.6
787.42615	9.5
788.41919	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	22.6
55.05510	30.4
55.53699	2.5
57.03442	14.9
57.07082	4.5
61.02926	5.4
65.03957	4.9
67.05502	100.0
68.05840	7.2
69.03428	5.0
69.07062	40.1
69.38107	14.7
71.04989	6.2
73.02920	2.6
79.05494	73.2
80.05857	3.8
80.91511	2.4
81.03410	14.7
81.07053	84.3
82.07409	5.6
83.04977	15.4
83.08612	12.9
85.02914	7.3
85.06542	4.8
86.09721	5.5
91.05478	80.6
92.05827	7.7
93.07042	65.0
94.07355	3.4
95.01340	8.0
95.04975	19.5
95.08605	53.4
96.08960	6.8
97.02872	7.4
97.06531	35.9
97.10181	7.1
99.08110	2.8
103.05486	5.9
105.07027	98.3
106.07365	5.8
107.04932	20.6
107.08591	39.3
108.33770	2.4
109.06532	10.4
109.10157	36.9
110.10482	5.6
111.08083	5.7
115.05439	3.1
117.07024	23.7
119.08578	55.4
120.08945	5.4
121.06527	10.0
121.10122	23.8
121.36575	2.6
123.04436	3.8
123.08074	5.8
123.11730	6.1
124.99989	5.0
125.09690	4.0
128.06252	4.9
129.07021	9.2
130.07587	2.4
131.08565	39.5
133.06476	3.7
133.10127	50.8
133.11061	4.3
135.08104	6.3
135.11668	12.4
137.09647	6.6
141.07007	5.1
143.08586	10.6
145.06454	3.8
145.10118	30.9
146.10501	3.5
147.11693	28.3
148.12073	3.2
149.09669	5.7
149.13246	7.4
155.08578	5.1
157.10152	11.4
159.11717	25.2
161.09631	3.2
161.13217	17.5
163.11234	6.7
163.14871	3.6
165.09061	3.3
167.08565	3.5
169.10062	6.5
171.11691	8.0
171.36339	2.7
173.11781	7.1
173.13274	11.6
174.13620	2.7
175.14861	8.4
177.12787	5.1
179.14360	9.5
183.11708	6.4
184.07326	14.0
185.13258	6.9
187.11255	3.6
187.14798	3.7
197.13292	5.2
199.14796	5.7
201.16431	2.9
227.12791	4.2
229.14308	26.5
230.14664	12.5
241.19621	12.5
257.19043	7.1
259.20541	25.3
264.42728	2.8
275.20065	57.4
276.20688	3.7
293.21103	5.7
297.17017	7.6
298.17374	6.3
315.23187	6.6
324.53607	3.0
333.24255	39.8
334.24744	3.6
335.25912	28.0
336.26175	19.5
349.23669	30.2
367.18701	4.3
401.19592	7.6
485.62762	2.4
489.35764	6.1
490.35883	9.2
558.38452	5.8
568.55164	3.2
607.34393	4.6
607.43463	48.4
608.43567	9.1
625.44049	10.8
777.20319	2.8
787.45856	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.7
56.05049	0.5
60.08160	3.9
71.07378	1.4
79.05506	0.5
81.07051	0.9
86.09708	15.4
91.05465	0.7
93.07093	0.8
98.22451	0.7
98.98475	1.8
104.10749	1.5
105.07046	0.5
116.39851	0.4
117.06944	0.4
123.11774	0.4
124.99997	9.8
131.08607	0.5
147.11667	0.5
168.05727	0.5
169.06374	0.4
181.06461	0.7
183.08081	0.5
184.07346	44.2
185.06061	0.8
189.09073	0.6
196.05188	0.8
197.05978	1.8
201.16573	0.4
204.11531	0.7
209.09486	0.6
211.07545	1.5
212.08267	0.7
213.05452	7.5
213.09055	0.5
214.06226	2.9
215.06966	0.6
219.07944	0.4
225.05432	2.0
225.09023	0.7
227.03452	0.4
227.07021	3.2
228.04234	1.0
228.07802	1.7
229.08630	0.5
239.06992	1.2
239.10651	0.5
240.07828	3.6
241.04985	1.4
241.08560	1.0
242.05745	5.3
243.06505	1.7
244.07292	0.6
249.09149	0.8
251.07079	0.8
251.10687	0.6
253.08444	0.8
253.12206	0.9
254.09198	0.5
255.06535	1.3
256.07294	1.7
257.08078	29.2
258.08313	2.0
263.10614	0.6
265.08502	0.7
266.09412	0.8
267.06662	0.7
267.10156	1.2
267.13861	0.5
269.04501	1.7
269.08157	0.5
269.11642	0.9
271.06287	2.5
271.09421	3.0
272.06516	0.5
272.09964	0.6
279.10162	1.6
280.10742	0.6
281.08429	0.7
281.11612	4.7
283.06079	0.9
283.09711	0.6
284.06772	1.0
285.07608	1.6
285.10959	0.8
294.12213	0.6
295.09949	0.7
295.13220	1.1
296.14063	18.2
297.07654	0.8
297.11218	1.9
297.14484	1.2
299.09216	1.5
309.11273	1.0
311.09235	0.7
311.12579	1.0
312.13553	3.1
313.14059	0.5
324.13278	0.7
325.10687	3.2
326.11328	0.8
326.14996	0.6
327.15857	1.8
329.10294	1.1
339.12225	0.7
340.12976	5.2
341.13794	1.9
354.14481	0.9
355.15393	100.0
356.15680	7.7
385.16425	0.6
386.17142	2.1
396.27667	0.4
401.16037	1.0
770.52594	0.7
788.53668	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	26.0
55.05512	51.2
57.03437	29.7
57.07073	4.2
58.84694	2.2
59.04988	3.5
61.02915	5.8
65.03937	3.6
67.05506	100.0
68.05820	2.8
69.03426	14.7
69.07069	55.5
69.29499	3.8
69.29912	14.1
71.01359	4.3
71.04997	12.0
72.46188	1.9
73.02908	4.6
73.80628	2.0
77.03951	2.0
78.04700	2.5
79.05495	82.6
81.03419	37.3
81.06577	5.1
81.07055	92.3
83.01339	9.4
83.04985	35.5
83.08605	27.0
84.31402	2.4
85.02906	11.4
85.06538	7.0
86.09698	5.5
86.18827	2.4
91.05481	84.6
93.07045	84.3
94.07395	2.4
95.04969	33.2
95.08044	4.4
95.08609	54.9
95.09224	2.8
97.02892	18.3
97.06538	27.1
97.10174	15.6
99.04462	5.8
99.08085	3.3
103.05461	4.3
105.07029	60.4
106.07371	2.6
107.04958	24.6
107.08589	49.6
109.02888	3.3
109.06535	14.0
109.10160	36.3
111.04434	4.7
111.08084	10.5
116.04716	2.7
117.07015	26.7
117.44472	2.3
119.04931	2.9
119.08586	40.4
121.06510	12.0
121.10146	21.0
123.08073	23.5
123.11719	8.0
125.00040	3.8
125.06007	4.0
125.09644	15.8
127.03915	3.7
127.07565	4.0
127.60512	2.2
128.06230	3.9
129.05457	8.5
129.07010	11.1
130.07785	3.7
131.08578	23.5
133.06480	4.2
133.10135	49.3
135.08041	9.6
135.11688	27.0
137.09631	15.4
141.06879	2.9
143.08583	5.6
145.10121	37.5
147.08034	9.0
147.11714	11.2
149.09615	22.7
151.11185	18.9
153.09180	3.4
153.12772	4.8
155.08568	4.5
157.08633	2.4
157.10091	4.9
159.08118	3.2
159.11707	10.9
161.09604	6.4
161.13261	7.4
163.11176	48.2
165.09109	3.5
169.10143	3.8
169.12247	4.0
171.11632	4.4
173.09657	7.0
173.11800	4.9
173.13196	3.5
175.11179	9.1
177.12762	3.4
179.14337	2.9
181.12227	6.5
183.11685	4.3
184.07347	17.9
189.11250	5.2
191.10655	5.0
193.12289	5.9
199.13315	2.7
209.11681	11.9
211.13176	5.9
223.13249	7.1
225.39296	2.2
227.12666	15.9
229.14348	3.6
245.19199	2.9
253.14323	29.5
255.15817	2.7
257.18985	4.2
263.19809	3.0
267.15881	5.1
273.18491	13.7
275.20038	22.9
283.15411	70.5
284.15945	3.1
285.17020	5.7
291.19550	34.8
293.21133	4.7
301.16528	17.2
303.98904	2.4
347.22260	3.5
349.23776	24.2
350.24106	3.7
365.23242	17.6
379.20978	5.9
437.25232	11.7
451.26892	6.8
461.28821	7.7
463.27209	3.6
477.28232	4.5
519.32513	3.3
541.35510	3.7
557.34497	25.6
558.34711	3.9
573.34332	7.9
574.34717	2.5
575.35931	3.2
591.35175	18.7
788.42285	8.3
789.43225	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	14.5
55.05512	43.0
57.03438	21.6
59.04993	2.5
59.48060	1.9
61.02925	3.8
61.10775	1.9
65.03952	2.4
65.43369	1.7
65.92678	1.8
67.05507	54.0
67.63459	1.8
69.03440	10.2
69.07069	37.2
69.24361	11.4
69.24765	3.9
70.06597	3.0
71.04990	9.4
73.02918	2.6
79.05495	70.4
81.03416	97.0
81.06579	4.2
81.07056	73.1
83.04980	28.6
83.08620	38.8
85.02903	35.4
85.06548	5.1
87.27448	2.2
88.07648	4.9
91.05481	73.1
93.07043	44.4
95.04974	42.7
95.08607	25.2
97.02904	8.3
97.06526	17.5
97.10167	18.7
99.00831	4.2
99.08086	2.4
103.05479	2.7
105.04504	2.7
105.07029	46.2
107.04955	20.3
107.08598	28.9
109.02859	6.5
109.06508	16.0
109.10173	13.8
111.04443	7.5
111.08079	18.7
113.05982	4.4
115.05437	7.6
117.07030	15.2
119.05074	2.4
119.08587	41.8
120.08920	2.1
121.06497	11.2
121.10135	12.0
122.12558	1.8
123.04408	2.6
123.08072	9.4
123.11700	4.6
125.09628	14.2
128.06190	2.0
129.07001	15.7
131.08574	27.6
133.06485	7.2
133.10130	30.3
135.08054	17.5
135.11728	6.1
137.06021	1.9
137.09622	6.5
139.03940	1.8
142.07796	3.1
143.08601	6.6
145.06471	6.5
145.10127	13.0
147.08031	10.8
147.11693	18.7
149.09636	12.0
151.11198	8.1
153.09172	2.9
153.12733	3.9
157.10110	23.1
159.08052	7.4
159.11690	3.2
161.09618	9.1
163.07556	8.3
163.11192	7.0
165.12784	3.6
171.06342	1.8
171.10226	2.8
171.11774	2.0
173.09587	3.6
175.11180	19.7
179.10692	4.6
181.12204	4.5
189.09433	2.4
189.11140	9.3
191.10687	3.5
193.12241	75.8
194.12569	3.1
194.39183	1.8
201.12845	1.8
209.11505	2.1
211.13284	87.6
212.13573	3.7
221.11685	1.8
227.12831	10.2
230.24792	4.6
243.17450	2.6
249.14917	2.7
258.28061	3.1
261.18497	5.5
267.15900	30.6
271.17004	10.0
273.18530	3.2
274.27380	36.5
275.27747	5.5
283.15463	14.6
285.16980	75.3
286.17218	2.5
286.45685	2.0
289.17950	26.8
295.15610	2.0
307.19089	9.9
329.20920	3.0
357.17331	2.1
363.21622	14.9
381.22714	67.1
382.23059	4.4
475.26782	5.1
481.29199	2.7
493.27826	5.3
499.30923	4.1
555.33136	22.2
573.34290	34.3
574.34381	4.2
591.35236	100.0
592.35278	13.3
696.46423	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	10.0
55.05242	1.7
55.05510	33.4
57.03437	19.9
57.07074	1.5
59.05001	16.3
61.02928	3.3
65.03940	2.9
67.05506	53.8
68.05834	1.6
69.03436	7.3
69.05195	8.7
69.07064	10.1
71.01355	1.3
71.04987	9.0
79.05492	41.2
81.03417	62.8
81.07057	42.4
82.07397	1.5
83.01340	7.6
83.04979	25.6
83.08617	27.1
85.02907	24.8
85.06537	4.1
87.04463	14.6
91.03958	1.8
91.05482	38.8
92.05797	1.3
93.07040	37.8
95.04971	27.4
95.08601	15.1
97.02891	7.1
97.06542	6.5
97.10165	12.5
99.04458	8.9
99.08080	2.0
105.07025	23.3
107.04949	14.2
107.08598	20.5
109.02846	1.1
109.06528	8.3
109.10155	21.3
111.04437	10.0
111.08083	14.1
113.05994	1.5
114.06527	0.9
115.05476	2.0
117.07028	11.5
119.04964	1.5
119.08575	27.6
120.08941	1.2
121.06496	6.6
121.10154	15.2
123.08072	8.6
123.11710	2.1
125.05997	2.7
125.09633	11.7
127.03902	1.1
128.06175	1.0
129.05507	1.7
129.07005	12.5
131.08562	14.8
132.05679	1.1
132.08974	1.1
133.06494	2.3
133.10129	13.7
135.08058	6.2
135.11694	9.9
137.09619	7.5
142.07773	2.9
143.08592	2.2
145.06467	2.6
145.10107	13.6
147.08037	6.9
147.11674	11.6
149.09625	6.2
151.11334	1.1
153.09158	1.4
153.12744	6.1
155.08528	2.8
155.10678	1.2
157.10136	9.7
159.08063	4.6
161.09589	2.2
163.07625	1.6
163.11177	24.0
164.11565	1.2
165.12762	2.6
173.09579	5.2
173.11758	7.5
175.11186	13.2
181.12248	7.7
184.07329	1.3
187.11128	1.1
189.09462	1.0
189.11186	5.0
189.40108	1.0
191.10756	5.1
193.12236	34.8
194.12604	2.4
199.13286	3.0
209.11726	8.8
211.13289	44.1
212.13522	1.7
227.12727	12.9
229.14352	11.4
241.14449	1.2
262.18784	1.0
267.15863	19.4
268.16275	1.6
271.16968	4.9
283.15384	32.1
284.15948	2.2
285.16953	44.2
286.17221	2.8
289.17972	13.3
290.86047	1.0
307.19083	6.4
345.52762	1.2
363.21613	5.2
371.24197	1.0
381.22699	20.4
382.22888	1.7
383.23657	3.5
401.23151	1.3
442.20697	1.2
457.25638	3.0
475.26950	23.4
476.27737	2.0
493.27945	100.0
494.28333	10.4
555.33093	5.8
573.34119	12.8
574.34076	1.6
591.35260	23.4
592.35394	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	7.3
55.05514	12.0
57.03443	8.3
59.54150	0.7
61.02926	1.8
62.54454	0.8
64.51211	0.8
65.03933	2.0
66.70567	0.8
67.05506	28.4
69.00234	8.9
69.03425	2.9
69.07070	16.5
70.07432	0.8
71.04987	3.5
73.02892	0.9
79.05494	22.7
79.05962	1.1
80.05804	0.9
81.03420	41.5
81.07059	36.7
81.10014	0.8
83.04987	6.0
83.08621	10.6
85.02895	3.0
85.06539	1.4
86.09704	1.9
91.05483	37.1
92.05823	1.7
93.07050	23.9
93.78973	0.8
95.01347	3.9
95.04971	16.3
95.08600	16.9
96.05302	1.3
97.02885	2.0
97.06544	10.0
97.10181	3.2
98.23379	1.9
99.24306	0.8
103.05512	1.3
103.38068	0.8
105.07035	43.4
106.07352	1.2
107.04954	9.8
107.08597	13.7
109.06521	5.7
109.10154	6.7
111.08069	4.5
115.05428	1.1
117.07017	8.1
119.06753	0.9
119.08576	26.5
120.08972	0.9
121.06516	3.2
121.10139	7.3
123.04446	1.2
123.08076	3.1
123.11719	2.4
124.99991	1.3
125.09676	1.6
129.05516	0.9
129.07030	7.1
131.08571	15.2
133.06555	1.9
133.10139	23.3
135.08058	2.7
135.11665	4.6
137.09642	2.5
141.06972	2.2
143.08508	1.9
145.06612	0.8
145.10110	9.9
147.08049	2.5
147.11687	11.3
149.09630	5.7
149.13277	2.3
151.11162	2.4
155.08507	1.1
157.10123	6.2
159.07944	0.9
159.11690	5.0
161.09573	1.0
161.13248	2.4
163.11192	3.2
169.10153	1.7
171.11705	2.3
173.13266	2.6
175.11211	5.1
177.12785	1.9
179.14282	6.2
183.11688	1.4
184.07349	6.6
185.13359	0.9
187.11217	1.5
192.82281	0.9
193.12233	8.9
195.13794	1.2
201.16385	1.1
205.12202	1.2
211.13283	5.3
219.17458	3.5
234.24536	0.9
239.17949	0.9
247.20576	1.5
249.15193	1.1
253.14302	3.6
257.19006	3.0
267.15903	38.7
268.16269	2.2
274.27255	1.0
275.20065	28.5
276.20303	2.1
285.16891	4.8
291.19437	1.5
293.21176	3.3
335.71024	0.9
349.23727	21.1
350.24118	1.4
365.23337	1.8
398.17325	0.9
479.30038	2.0
529.38739	1.6
541.35242	100.0
542.35614	15.9
559.36237	3.6
560.35565	1.1
583.36462	0.8
591.36841	1.9
611.46741	1.7
788.42505	1.5
789.41394	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
56.05043	0.7
57.03432	0.3
57.07061	0.2
58.06608	0.3
60.06893	0.2
60.08164	5.7
67.05505	1.6
69.07066	0.5
71.07371	3.3
71.30269	0.2
77.83614	0.2
79.05497	1.2
81.07041	1.9
82.37410	0.2
83.04977	0.3
83.08622	0.3
85.02876	0.3
86.09703	29.1
87.10027	0.5
91.05489	0.9
93.07047	1.2
95.04967	0.4
95.08619	1.1
97.06533	0.3
97.10164	0.2
98.98466	3.1
104.10737	2.8
105.07044	1.2
107.08592	0.5
109.06570	0.2
109.10159	0.6
111.08057	0.2
117.07033	0.5
119.08565	0.8
121.10194	0.3
125.00001	20.1
125.09646	0.3
129.06970	0.4
131.08549	0.5
133.10117	0.6
135.07996	0.2
143.01089	0.4
145.10095	0.4
147.11656	0.4
157.10110	0.2
159.11650	0.3
168.21780	0.2
184.07335	100.0
185.07697	1.6
200.21771	0.2
203.17905	0.4
275.20129	1.0
335.25790	1.4
349.23715	0.4
487.95050	0.2
496.34116	0.2
562.37567	0.3
563.38641	0.5
609.44885	0.6
770.53094	3.9
771.52417	0.6
788.54224	4.0
789.53357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
56.05031	0.7
58.06354	0.1
58.06611	0.3
59.07380	0.2
60.08164	6.0
60.71653	0.1
67.05505	0.6
69.07054	0.3
69.11786	0.9
69.12202	0.3
71.07374	2.9
71.08627	0.2
77.65750	0.1
79.05491	0.6
81.07045	0.8
82.07382	0.2
83.04988	0.3
83.08621	0.3
86.09703	28.5
87.10044	0.5
91.05486	0.5
93.07037	0.4
93.51721	0.1
95.08611	0.4
98.98461	3.3
104.10740	2.6
105.07039	0.4
107.08598	0.4
118.34017	0.1
119.08606	0.3
125.00000	19.1
131.08562	0.1
133.10133	0.2
135.11707	0.2
139.66966	0.1
143.01054	0.4
147.08084	0.2
147.11668	0.2
184.07336	100.0
185.07703	1.6
203.17873	0.4
276.97537	0.1
325.10687	0.2
335.25586	0.2
383.42523	0.1
417.16849	0.3
540.66376	0.1
562.37494	0.4
690.46088	0.3
770.53131	1.2
788.54047	2.1
789.53870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.3
56.05040	0.7
58.06609	0.4
59.07397	0.2
60.08165	6.1
67.05492	0.4
69.03320	0.6
69.03729	1.5
69.07069	0.2
70.06609	0.3
71.06979	0.3
71.07374	3.7
77.83662	0.2
79.05479	0.4
81.07053	0.5
86.09706	34.1
87.10042	0.7
91.05463	0.4
93.07066	0.4
95.08593	0.3
98.98466	4.0
104.10744	3.0
105.07061	0.3
116.54346	0.2
119.08596	0.2
121.10128	0.3
125.00008	22.9
143.01135	0.4
159.11615	0.3
177.25363	0.2
184.07344	100.0
185.07684	2.2
192.04810	0.2
203.17908	0.3
355.15033	0.3
361.46130	0.2
477.07806	0.3
496.33353	0.2
517.48376	0.2
527.31250	0.2
547.39081	0.2
550.21973	0.2
690.46002	0.6
770.52179	0.6
788.54156	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.7
56.05032	2.8
57.03437	0.4
57.07072	6.3
57.47472	0.2
58.06602	2.1
58.12058	0.2
60.04513	1.0
62.06075	0.3
64.33655	0.2
64.68412	0.2
67.05504	1.2
68.05024	0.4
69.03429	0.3
69.07061	0.8
69.19200	1.8
70.06593	6.5
71.04992	0.3
71.08624	3.0
73.39328	0.3
74.06080	3.3
79.05495	1.7
81.03427	1.3
81.07059	1.4
83.04974	0.5
83.08616	0.5
84.06721	0.2
85.06560	0.3
85.10178	1.0
86.06091	0.6
88.07628	18.6
91.05487	1.7
93.07045	1.4
95.04990	0.7
95.08601	1.0
97.06531	0.9
98.22621	0.5
102.09178	2.3
105.07024	1.0
106.08659	4.6
107.04951	0.5
107.08582	0.8
109.06511	0.4
109.10160	0.6
111.08072	0.5
113.05974	0.3
117.07017	0.3
118.08653	2.0
119.08578	0.8
121.06543	0.3
121.10168	0.6
122.08138	2.1
131.08528	0.4
133.10161	0.7
135.11700	0.4
145.10120	0.6
150.00734	0.2
157.10107	0.3
163.11147	0.8
175.24568	0.2
193.12244	0.5
211.11401	0.2
211.13309	0.7
212.23711	6.2
227.12711	0.9
230.24860	0.3
242.24794	12.2
243.25089	0.8
256.26328	3.8
267.15906	0.5
271.17001	0.4
272.25739	0.7
274.27390	100.0
275.27734	6.4
283.15439	0.5
285.16989	0.6
289.18045	1.1
290.26877	44.5
291.19727	0.4
291.27170	2.7
307.19019	0.3
307.41568	0.3
310.40118	0.2
314.19550	0.2
363.21497	0.5
381.22604	0.4
452.00287	0.3
463.21625	0.2
555.32977	0.3
573.33893	0.7
591.35388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.7
56.05032	2.8
57.03437	0.4
57.07072	6.3
57.47472	0.2
58.06602	2.1
58.12058	0.2
60.04513	1.0
62.06075	0.3
64.33655	0.2
64.68412	0.2
67.05504	1.2
68.05024	0.4
69.03429	0.3
69.07061	0.8
69.19200	1.8
70.06593	6.5
71.04992	0.3
71.08624	3.0
73.39328	0.3
74.06080	3.3
79.05495	1.7
81.03427	1.3
81.07059	1.4
83.04974	0.5
83.08616	0.5
84.06721	0.2
85.06560	0.3
85.10178	1.0
86.06091	0.6
88.07628	18.6
91.05487	1.7
93.07045	1.4
95.04990	0.7
95.08601	1.0
97.06531	0.9
98.22621	0.5
102.09178	2.3
105.07024	1.0
106.08659	4.6
107.04951	0.5
107.08582	0.8
109.06511	0.4
109.10160	0.6
111.08072	0.5
113.05974	0.3
117.07017	0.3
118.08653	2.0
119.08578	0.8
121.06543	0.3
121.10168	0.6
122.08138	2.1
131.08528	0.4
133.10161	0.7
135.11700	0.4
145.10120	0.6
150.00734	0.2
157.10107	0.3
163.11147	0.8
175.24568	0.2
193.12244	0.5
211.11401	0.2
211.13309	0.7
212.23711	6.2
227.12711	0.9
230.24860	0.3
242.24794	12.2
243.25089	0.8
256.26328	3.8
267.15906	0.5
271.17001	0.4
272.25739	0.7
274.27390	100.0
275.27734	6.4
283.15439	0.5
285.16989	0.6
289.18045	1.1
290.26877	44.5
291.19727	0.4
291.27170	2.7
307.19019	0.3
307.41568	0.3
310.40118	0.2
314.19550	0.2
363.21497	0.5
381.22604	0.4
452.00287	0.3
463.21625	0.2
555.32977	0.3
573.33893	0.7
591.35388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
55.05516	0.2
57.03425	0.3
63.02370	0.2
65.03931	0.9
67.01879	0.2
67.05507	0.8
69.03433	2.2
69.14969	1.4
71.01372	0.4
71.05002	0.2
73.02916	0.6
79.05497	0.4
81.03421	3.1
83.04979	1.9
85.02905	1.4
89.03913	1.5
91.05475	4.8
93.03401	0.5
95.04974	2.3
97.02882	0.5
99.00819	1.8
99.04439	0.4
107.04956	1.0
109.02879	2.2
111.04452	2.4
117.01884	0.4
117.03377	1.7
119.04942	10.7
120.05236	0.3
121.02846	0.7
123.04385	0.2
127.03913	100.0
128.04256	2.4
129.05475	1.3
135.04405	4.0
139.03883	1.4
145.02866	2.3
145.04922	0.3
146.03250	0.2
147.04405	41.9
148.04761	1.2
157.04962	1.2
163.03905	19.6
164.04233	0.5
165.05458	0.6
165.06920	0.3
175.05991	0.5
183.08078	0.4
207.08051	0.4
211.07607	0.2
229.08557	0.9
235.07442	0.6
243.04999	0.4
253.08513	0.3
263.06970	1.0
273.06033	2.8
281.08084	0.9
289.09067	0.2
291.08765	2.0
307.08087	0.3
309.06812	0.4
309.09586	1.7
321.09988	0.2
325.08978	0.3
327.08765	0.2
327.23215	0.2
337.09119	0.5
399.09174	0.3
417.10248	1.7
471.12384	0.2
483.12814	0.8
634.71777	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.4
55.05512	7.9
56.05010	1.0
57.03446	3.4
57.07059	1.1
58.06610	0.5
60.08167	5.9
65.03930	1.0
67.05506	21.4
67.98607	0.4
69.03421	0.5
69.07069	9.5
69.72369	0.4
71.04987	0.6
71.07372	5.3
72.07724	0.4
77.24891	0.4
79.05495	17.3
79.05961	0.8
80.83903	0.4
81.03428	2.3
81.07058	25.7
82.22900	0.4
83.04977	2.5
83.08617	2.6
85.06544	1.0
86.09707	34.2
87.10036	3.8
91.05479	16.8
93.07044	15.8
95.01318	2.2
95.04966	3.4
95.08611	14.9
97.02855	0.5
97.06527	7.3
97.10169	1.4
98.98479	4.9
103.05453	0.6
104.10743	3.2
105.07033	19.9
107.04971	3.7
107.08591	7.9
109.06503	1.8
109.10163	5.0
111.08076	0.8
113.09656	0.5
117.07008	4.6
119.08582	11.4
121.06526	0.9
121.10138	4.3
123.04415	0.7
123.08069	1.4
123.11705	0.8
125.00003	24.3
126.00372	0.8
129.06993	1.1
131.08572	6.3
133.06441	0.5
133.09209	0.8
133.10133	9.2
135.08081	1.0
135.11691	3.2
137.09642	0.8
139.07520	0.7
141.06975	0.7
143.08583	1.1
145.06459	0.7
145.10138	4.0
147.11678	3.9
149.09602	1.3
149.13268	1.7
151.11174	0.7
155.08527	0.5
157.10118	1.1
159.11720	2.9
161.13257	1.7
163.11151	1.3
165.09216	0.7
173.13251	1.4
175.14853	0.6
177.12770	0.7
179.14316	3.0
183.11707	0.8
184.07344	100.0
185.07690	11.6
185.13226	0.6
186.07776	1.8
187.14908	0.6
201.16530	0.7
203.14359	0.8
219.17422	8.5
220.17886	0.7
229.19580	0.8
229.77208	0.6
244.48145	0.4
247.20590	0.9
253.19827	0.5
257.18994	1.8
261.22202	0.9
265.97742	0.5
267.00375	0.4
275.20059	21.1
276.20355	1.3
289.17950	0.5
293.21243	1.7
296.49219	0.5
303.88962	0.4
335.25797	30.1
336.26123	1.9
349.23749	7.3
478.93472	0.5
587.20270	1.1
609.45154	32.6
610.45618	4.6
610.55017	0.8
617.44525	0.7
772.55084	0.8
789.55859	2.0
790.55536	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	12.6
55.05515	44.2
57.03438	28.9
59.04980	3.2
61.02927	5.1
65.03934	5.3
66.50507	2.1
67.05505	74.5
69.03436	15.1
69.05585	17.3
69.06004	5.0
69.07070	42.4
71.04995	21.3
73.02921	4.8
79.05017	2.5
79.05116	1.6
79.05490	82.9
81.03417	78.1
81.07056	100.0
82.07378	2.0
83.04985	27.3
83.08613	40.0
85.02905	34.0
85.06528	6.7
89.36953	2.1
91.05479	76.9
92.05771	2.7
93.07043	59.3
95.04972	41.9
95.08607	34.2
97.02884	11.2
97.06528	48.1
97.10163	20.1
99.04472	6.4
99.08085	4.1
103.05508	3.1
105.07031	58.5
107.04956	21.6
107.08593	39.2
109.02858	3.5
109.06521	20.9
109.10149	14.9
111.04414	12.0
111.08068	19.0
113.06013	5.6
115.05503	5.7
115.07574	10.6
117.07027	18.8
119.04965	2.4
119.08579	44.0
120.08910	2.3
121.06517	9.1
121.10143	24.5
123.08073	17.3
123.11724	4.4
125.09640	16.9
127.03943	4.6
127.07590	2.9
128.06233	3.4
129.07005	21.6
131.07079	2.7
131.08565	35.1
133.06528	10.1
133.10130	30.4
135.08064	14.1
135.11710	10.3
137.09622	5.8
141.07005	2.6
142.07794	4.1
143.08574	8.5
145.10121	21.3
147.08063	13.6
147.11678	22.7
148.11957	2.2
149.09660	15.7
149.13249	5.2
151.11156	3.1
153.09183	3.8
155.08556	5.8
157.10118	25.0
159.08090	4.6
159.11687	6.9
161.09644	7.7
161.13365	3.4
163.11240	14.3
165.12761	6.1
171.11664	5.1
173.09627	4.6
175.11176	24.6
177.12788	3.7
181.12253	3.8
183.11678	3.0
184.07320	2.8
185.13278	3.3
187.11333	2.7
189.09671	2.2
189.11142	11.0
191.10706	3.7
193.12244	57.5
201.12614	2.6
205.12164	3.7
211.13286	72.1
217.15891	8.6
219.53262	2.3
223.13297	4.0
227.12704	16.0
233.15302	2.5
245.19005	6.1
253.14351	4.5
255.17561	5.0
257.23016	2.2
263.20074	2.6
267.15909	32.8
269.17429	11.9
273.18475	42.3
275.20145	3.5
283.15439	7.6
285.13837	3.7
285.16971	70.0
285.20065	4.3
286.17383	4.1
291.19528	51.2
292.19836	4.3
297.21970	2.2
309.20688	4.0
329.21271	2.9
347.22073	13.0
365.23172	25.8
366.41849	2.4
383.24182	9.2
437.25439	2.7
447.28094	2.5
455.26141	3.7
461.29388	5.7
465.30182	3.2
477.28549	7.0
479.29868	11.2
539.33594	5.7
557.34741	29.4
575.35913	34.2
576.36072	4.3
593.37012	13.2
594.37372	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	13.0
55.05266	4.0
55.05514	36.2
57.03434	26.8
61.02915	3.6
65.03941	6.4
66.50268	2.0
67.05508	70.5
69.03429	13.1
69.07066	32.9
69.19173	17.3
70.06584	2.4
71.05012	12.8
73.02891	3.8
79.05492	68.9
81.03417	74.6
81.07057	100.0
83.04981	30.6
83.08623	35.2
85.02895	26.7
85.06559	6.4
91.05477	67.6
93.07047	60.8
95.04971	40.9
95.08606	29.0
97.02901	8.0
97.06530	40.8
97.10159	25.5
98.22540	2.3
99.04456	4.0
99.08064	3.0
105.04478	3.0
105.07035	52.3
107.04964	21.0
107.08592	30.6
109.02921	2.9
109.06518	21.1
109.10169	16.0
111.04459	12.3
111.05101	2.5
111.08077	20.7
113.06040	3.6
115.05444	3.5
115.07560	11.1
117.07007	18.1
119.08578	47.0
119.42084	2.1
121.06509	13.0
121.10152	22.6
122.92924	2.4
123.08070	21.8
123.11681	3.7
125.06020	2.4
125.09634	20.1
127.03886	4.9
127.07510	2.3
128.06261	4.7
129.07007	21.4
131.08574	30.9
133.06494	8.0
133.10123	29.0
135.08051	13.0
135.11696	11.5
137.09610	8.3
142.07780	4.0
143.08551	7.3
145.06470	2.6
145.10114	22.7
147.08046	14.5
147.11688	25.0
149.09616	11.7
149.13277	3.8
151.11214	3.3
153.12730	3.9
157.10107	20.9
159.08121	2.4
159.11711	7.6
161.09659	8.6
163.11191	16.6
165.09082	3.5
165.12738	4.6
169.10146	2.5
171.11586	3.3
173.04718	2.3
173.09666	3.9
173.13295	2.6
175.11182	18.7
177.12697	4.3
181.12234	5.4
189.11206	11.0
189.12819	3.0
191.10683	5.2
193.12236	56.8
194.37395	2.4
195.11678	3.2
211.13283	66.8
211.15172	4.2
217.15894	5.6
223.13188	5.4
227.12726	20.3
233.15430	2.4
245.18994	5.3
255.17543	3.0
263.20108	2.8
267.15891	30.3
267.47833	2.3
269.17496	7.1
273.18454	42.3
275.20157	3.1
275.74466	2.7
283.15414	7.0
285.16934	72.3
286.17499	4.5
291.19537	55.1
347.22299	16.9
365.23215	26.2
383.24283	11.9
391.85385	2.8
437.25616	3.0
455.26273	3.2
461.28940	2.6
465.29431	3.4
477.28354	6.8
479.30045	8.6
483.31186	3.8
539.33655	5.5
557.34924	26.2
558.34888	2.7
575.35803	40.8
576.36121	5.8
593.36749	15.4
645.81995	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	18.5
55.05513	47.9
57.03437	29.8
57.07076	3.1
58.03733	1.9
58.91179	1.9
61.02916	5.6
61.83821	1.9
64.68154	2.1
65.03945	5.1
67.05506	98.7
67.59801	1.9
69.03429	14.3
69.07069	36.5
69.12737	18.8
71.01347	7.0
71.04992	7.7
73.02917	4.3
79.05497	93.2
80.27152	1.7
81.03419	65.9
81.07059	100.0
82.04198	3.5
83.01295	2.5
83.04987	22.9
83.08624	29.2
84.38528	2.1
85.02905	23.3
85.06538	5.8
91.03967	2.9
91.05485	86.4
93.07045	65.3
95.04967	41.6
95.08611	39.7
97.02907	10.8
97.06525	22.5
97.10172	14.5
98.07292	2.9
99.04456	2.7
99.08076	5.0
105.04523	2.6
105.07035	52.8
107.04946	21.1
107.08598	44.4
109.02879	2.7
109.05875	2.1
109.06478	10.6
109.10162	21.0
111.08075	13.6
112.54751	2.1
115.05472	4.3
116.04727	8.8
117.07021	17.4
119.08578	33.2
121.06506	7.7
121.10144	21.8
123.08043	12.2
123.11707	5.4
124.99973	2.2
125.05939	2.6
125.09633	17.1
125.55562	2.0
127.03890	4.9
128.06255	2.7
129.05486	21.3
129.07001	16.1
131.08571	26.4
133.06529	6.7
133.10133	40.2
135.08058	8.0
135.11708	26.6
137.05954	2.4
137.09615	8.6
141.06944	2.6
142.07788	4.6
143.07111	2.3
143.08545	5.1
145.06540	2.7
145.10146	14.0
147.08080	6.6
147.11668	17.7
149.09605	17.5
149.13263	13.0
151.11166	7.3
155.08473	3.2
157.08656	6.3
157.10114	16.8
159.11644	10.3
161.09627	2.4
161.13309	3.5
163.11147	12.8
165.12740	3.5
171.06537	3.6
171.10173	4.9
171.11714	4.6
173.04376	2.8
173.11740	3.5
175.11150	12.3
177.12741	4.4
179.14340	2.6
181.12302	6.0
183.11630	2.6
184.07381	11.5
189.11247	4.2
193.12236	41.9
195.13800	6.8
196.13747	2.1
197.13364	2.6
199.13280	5.5
209.11697	6.9
210.12144	2.8
211.13330	33.9
212.13655	2.4
227.12843	9.9
243.15898	6.0
253.14313	7.9
255.15881	23.3
257.18903	3.5
267.15915	26.9
268.16425	2.8
269.17441	25.4
273.18619	4.1
275.20087	15.1
283.15381	4.3
285.16959	23.4
291.19571	8.4
299.14880	2.6
301.16470	39.8
349.23859	14.0
367.24918	3.1
395.12372	2.4
415.36871	2.3
423.27722	3.1
447.27197	3.8
461.28992	3.8
463.26285	3.1
465.28391	6.4
477.28320	6.4
478.28998	3.6
481.27841	7.5
495.29468	26.2
496.29779	3.2
511.83011	2.2
557.34558	6.2
575.35474	7.9
593.36139	4.7
781.57477	2.5
791.41449	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01638	1.7
55.01877	26.0
55.05512	42.7
57.03438	25.4
57.07076	3.2
59.04992	3.6
59.90039	1.4
61.02946	7.8
62.60136	1.3
65.03937	6.2
67.05507	100.0
68.05864	1.7
69.03422	9.3
69.05084	14.4
69.07067	52.4
71.01347	1.7
71.04985	10.3
73.02904	4.1
77.03912	1.5
79.05494	78.6
81.03419	55.8
81.07060	80.6
82.07423	2.6
83.04984	23.3
83.08620	29.4
85.02907	23.4
85.06530	6.3
86.09686	1.6
91.03986	2.0
91.05482	84.1
93.07046	67.9
94.07344	1.8
94.07885	1.9
94.30806	1.4
95.04969	31.8
95.08607	51.1
97.02903	10.7
97.06532	23.8
97.10179	14.3
98.07343	3.6
98.23359	3.7
99.04433	2.6
99.08086	4.5
103.05446	2.3
105.04497	3.1
105.07033	61.7
106.07366	2.2
107.04956	18.9
107.08595	40.5
109.02883	2.9
109.06511	8.4
109.10162	34.7
111.04440	3.7
111.08087	12.2
113.05997	3.0
113.09662	2.7
113.47029	1.4
115.05445	3.4
116.04705	5.1
117.07030	20.4
119.08581	43.7
121.06508	8.4
121.10137	21.9
123.04437	2.0
123.08084	10.1
123.11683	5.7
125.09646	14.5
127.03890	2.3
128.06197	2.1
129.05502	11.0
129.06990	19.0
131.08568	31.0
133.06488	5.1
133.10123	40.6
135.08054	6.5
135.11693	13.1
137.09624	14.5
141.06934	2.9
142.07736	4.3
143.07005	2.5
143.08556	5.8
145.06421	2.1
145.10121	22.3
147.08035	6.2
147.11693	24.3
149.09608	25.2
149.13287	7.9
151.11177	5.1
155.08586	2.0
155.10670	2.8
157.08705	3.8
157.10135	14.6
159.11685	13.6
161.09584	4.1
161.13289	5.3
163.11198	15.4
165.09062	2.2
165.12715	3.0
169.10135	2.3
171.10219	2.7
171.11690	5.0
173.04390	1.9
173.09579	3.1
173.11749	5.8
173.13338	4.2
175.11194	15.0
177.12819	4.5
179.14345	6.6
181.12213	2.5
183.11703	3.3
184.07329	5.6
185.13246	2.6
187.11229	2.4
189.11212	5.2
189.12764	2.7
193.12239	32.0
194.12630	2.6
195.13716	2.3
199.13307	3.0
209.11755	4.2
211.13301	36.5
212.13681	1.6
223.13281	3.2
227.12756	8.8
229.14328	7.2
247.20471	1.6
249.14948	1.9
253.14362	11.0
255.16052	2.9
257.19052	6.7
259.20462	1.8
265.14359	2.5
267.15921	22.3
269.17471	6.5
273.18439	3.6
275.20035	30.4
276.20502	2.1
283.15463	5.1
285.16968	23.0
287.20090	2.0
291.19391	6.9
293.21115	4.0
299.14929	2.5
301.16412	22.0
302.17004	1.9
331.22650	1.8
335.97964	1.6
349.23761	33.0
365.23251	3.5
381.22781	2.5
421.25635	2.7
439.26947	9.0
463.30746	2.7
465.29495	1.6
481.27670	4.2
495.29437	6.9
541.35632	6.9
542.35602	2.2
557.34760	7.6
559.36206	18.3
560.36774	2.9
575.35651	10.0
593.36963	2.8
791.41425	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04979	0.1
57.07078	3.9
58.06598	0.3
62.06086	0.4
69.82935	0.1
70.06593	6.6
70.67248	0.2
71.08644	1.1
74.06088	0.3
85.10178	0.8
88.07635	10.5
102.09181	2.7
104.07115	0.1
106.08670	5.9
124.66998	0.2
137.05966	0.5
148.81569	0.1
150.99908	0.2
153.05345	0.2
167.07036	0.3
175.30383	0.2
181.04933	0.3
191.06999	0.3
202.21690	0.6
228.23224	5.2
229.23543	0.3
246.24278	100.0
247.24620	5.2
565.20428	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	5.2
55.05511	47.4
56.05843	1.1
57.03437	18.8
57.07069	3.2
59.05001	30.6
60.08163	1.8
61.02914	2.3
65.03938	4.9
67.05503	100.0
68.05830	2.5
69.03436	6.4
69.07066	19.4
69.31052	5.4
71.01364	1.1
71.04992	16.7
71.07375	0.7
71.08636	1.0
72.05303	0.7
73.02896	1.5
79.05492	59.3
80.05824	1.1
81.03432	7.9
81.07056	66.4
82.07394	2.8
83.04980	7.1
83.08620	20.1
85.02901	7.5
85.06541	5.3
85.93338	0.9
86.09695	7.5
87.04466	41.9
89.06012	1.6
91.03951	1.0
91.05479	27.7
92.05791	1.0
93.07040	46.3
94.07372	1.4
95.04978	8.0
95.08605	41.2
97.02895	4.4
97.06534	5.8
97.10162	28.2
98.22643	1.8
99.04449	30.3
99.08089	1.9
101.05999	1.8
103.05437	1.4
105.03394	1.3
105.04530	1.5
105.07023	19.6
106.07372	0.8
107.04974	2.7
107.08591	34.0
108.08939	1.7
109.06512	3.9
109.10155	48.6
110.10499	0.9
111.04457	5.3
111.08091	3.0
111.11710	1.2
115.03936	2.2
115.05540	1.1
117.07034	6.5
119.08581	18.2
121.06513	1.4
121.10143	21.1
123.08058	2.6
123.11718	5.3
124.99969	4.0
125.09629	26.2
127.03953	1.0
129.06999	3.4
131.04936	1.0
131.08557	11.8
133.10130	10.4
135.08104	2.1
135.11694	14.3
137.09622	2.9
137.13223	1.9
138.89952	0.9
139.11220	1.1
143.08542	3.2
143.10670	3.2
145.06528	0.9
145.10132	11.7
147.08018	0.9
147.11655	7.9
149.09637	2.7
149.13278	6.8
151.11264	0.8
153.12729	2.8
155.08595	2.0
155.10693	3.3
157.10158	2.1
157.12262	1.7
159.11644	5.7
161.13264	4.8
163.11179	7.8
163.14833	2.8
165.12756	1.0
169.10124	1.3
171.11678	2.5
173.09601	2.2
173.11751	15.3
173.13263	5.2
175.11133	1.6
175.14827	1.6
177.12724	1.1
177.16516	1.0
180.08780	0.9
181.12238	1.9
183.11711	0.9
184.07341	30.0
185.13333	1.5
187.14799	3.7
189.11234	2.8
189.16226	1.0
191.10664	3.7
191.14337	0.9
193.12279	3.6
197.13257	1.5
199.13261	16.1
199.14865	1.7
200.13609	1.4
209.11710	3.7
211.13257	1.8
217.14429	2.5
223.13301	3.0
225.14870	1.9
227.12744	10.0
229.14339	37.5
241.14307	10.5
241.19644	1.0
243.21083	3.8
257.13882	1.2
259.15393	2.1
259.20566	2.8
261.22125	12.9
262.22427	1.6
267.15811	6.7
277.21759	1.0
281.82932	0.8
283.15512	1.2
289.21448	1.1
297.09695	0.8
299.23679	0.8
309.22305	1.2
315.17975	11.6
315.23386	0.9
317.24881	2.0
322.85712	0.8
328.37445	0.9
333.19138	4.4
333.23886	1.7
335.25797	61.9
336.26227	4.3
337.27487	0.9
351.25146	1.2
363.25201	5.0
364.25543	1.1
433.30167	1.1
459.34531	3.0
477.35767	28.5
478.36063	3.2
489.35690	31.0
490.36069	3.2
491.37201	2.3
525.35767	1.0
531.39673	1.4
543.36713	3.6
561.37756	2.5
575.38867	4.2
593.40393	3.2
613.48004	1.9
740.48041	0.9
791.44684	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.8
55.05511	48.8
57.03438	20.1
57.07066	3.9
59.05002	27.2
60.08149	2.5
61.02920	4.6
65.03943	4.1
67.05504	100.0
68.05853	3.5
69.03423	4.9
69.07072	19.0
69.71001	6.1
71.04996	12.3
71.07372	1.4
71.08636	1.5
73.02923	1.5
77.03917	1.4
79.05492	60.0
80.05819	1.8
81.03423	11.0
81.07057	67.1
83.04981	7.8
83.08621	16.2
85.02904	9.6
85.06555	3.8
86.09713	12.6
87.04466	36.8
89.06052	1.4
91.03914	1.6
91.05477	31.3
93.07042	42.2
95.04955	5.7
95.08604	42.6
96.08935	2.4
97.02921	5.8
97.06540	4.0
97.10163	24.0
98.22980	3.0
98.98474	1.9
99.04456	20.7
101.06013	1.5
105.07030	18.0
107.04947	3.4
107.08588	31.5
108.08920	1.9
109.06525	3.1
109.10153	47.2
111.04436	2.8
111.08085	3.5
117.07006	7.8
119.08564	16.8
121.06519	2.4
121.10144	20.8
123.08073	2.3
123.11700	4.0
124.99991	10.7
125.09624	23.1
127.03937	1.5
129.06979	3.0
131.08559	11.8
133.08553	1.4
133.10115	9.5
135.08037	2.3
135.11690	11.9
137.05975	1.4
137.09608	2.9
137.13235	2.1
143.08580	1.9
143.10652	2.8
145.10130	10.7
147.11694	7.9
149.09647	2.4
149.13208	5.4
155.08649	1.7
155.10677	2.8
157.10136	2.4
159.11696	7.2
161.13275	4.6
163.11195	7.1
163.14890	1.5
171.11691	2.9
173.11760	12.2
173.13268	6.9
175.14807	2.0
181.12238	1.7
183.11748	1.5
184.07346	44.8
186.88060	1.1
187.14766	2.3
189.11203	2.2
189.12709	1.3
191.10677	1.7
193.12218	2.0
197.13501	1.5
199.13293	13.5
209.11668	1.5
217.14388	1.8
223.13326	2.2
227.12700	7.2
229.14345	33.1
230.14697	2.0
241.14378	4.8
243.21140	3.6
257.13849	3.4
259.15466	2.0
259.20615	1.7
261.22122	13.2
267.15781	8.6
277.21661	1.4
283.15378	2.8
289.21741	2.4
315.17996	6.9
317.24698	2.4
327.23727	1.2
333.19144	1.6
335.25790	69.6
336.26065	6.4
363.19522	1.0
363.25229	2.6
459.34695	1.3
477.35712	28.7
478.36444	2.1
489.35748	36.6
490.36108	3.2
498.68185	1.2
543.36566	4.3
575.39154	2.7
593.40192	3.4
675.97583	1.3
790.43787	1.5
791.45776	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.4
55.05511	37.5
57.03438	17.4
57.07066	3.1
59.04998	31.3
61.02919	3.8
65.03922	4.4
67.05503	100.0
68.05837	1.8
69.03431	4.6
69.07065	16.1
69.34166	5.6
71.01371	1.2
71.04987	12.9
71.08636	1.1
73.02929	1.7
79.05489	47.0
80.05838	1.1
81.03409	8.7
81.07053	56.1
82.07376	1.1
83.01358	0.9
83.04974	5.2
83.08617	14.2
85.02905	7.2
85.06538	2.3
86.09709	4.2
87.03929	2.4
87.04464	49.3
88.97827	0.9
89.06033	2.3
91.03978	0.9
91.05478	23.2
92.05806	1.2
93.07040	38.4
95.04969	6.5
95.08602	34.8
97.02889	3.9
97.06541	3.7
97.10168	17.7
98.23330	1.9
99.04457	18.1
101.06027	1.0
105.04533	1.0
105.07018	16.0
107.04964	2.7
107.07870	1.2
107.08591	24.5
107.09281	1.6
108.08919	1.2
108.91746	0.8
109.02856	1.0
109.06511	2.1
109.10152	46.0
110.10452	1.6
111.04458	3.5
111.08102	3.7
115.03936	1.3
115.05494	1.2
117.07051	5.2
119.08576	11.8
121.06412	1.6
121.10136	18.5
123.08074	1.1
123.11691	5.8
125.00028	2.0
125.09621	16.9
127.03957	1.0
129.05444	0.9
131.08566	11.3
133.08656	1.4
133.10110	8.9
135.08064	1.5
135.11682	10.6
137.09641	3.2
137.13272	1.2
139.11143	1.0
143.08540	1.5
143.10712	2.0
145.10115	7.6
147.11702	7.0
149.09641	3.7
149.13260	5.1
151.07436	0.9
153.12735	2.2
155.08557	1.0
155.10684	2.8
157.10133	2.5
157.12276	1.2
159.11684	5.8
161.13251	3.7
163.11172	4.9
163.14861	2.5
165.12714	1.6
171.11765	1.2
173.04478	1.1
173.11742	17.2
173.13268	5.3
175.11171	2.1
175.14886	1.8
179.14403	1.0
181.12166	1.2
183.11803	1.3
184.07324	16.0
187.14854	2.7
189.11230	1.9
191.10696	1.5
193.12178	2.2
199.13260	10.8
199.14859	1.1
201.16373	1.4
209.11740	1.5
211.13219	0.9
217.14316	1.6
223.13228	2.2
225.14873	1.1
227.12784	6.9
229.14337	35.4
241.14323	3.6
243.21095	4.6
257.13715	1.6
259.20529	2.0
261.22134	12.8
262.22519	1.6
267.15881	5.5
277.21600	1.3
315.18036	5.9
317.24731	1.9
327.22839	1.4
333.18985	1.2
335.25787	52.2
336.26111	5.1
362.02356	1.0
363.25223	3.4
451.31897	1.0
459.34619	2.4
477.35785	17.5
478.36304	1.2
489.35736	33.3
490.36145	3.4
531.40320	4.1
543.36865	2.1
575.39105	2.1
593.40454	1.5
613.48315	1.5
631.48773	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	9.1
55.05516	40.2
57.03432	15.5
60.08138	3.8
60.35715	3.7
62.88011	3.7
66.97350	3.4
67.05507	74.3
69.03423	6.7
69.07062	25.8
71.04987	11.4
71.30206	5.9
73.47868	3.6
79.05495	74.4
81.03413	58.8
81.07060	67.7
82.07394	4.0
83.04984	10.4
83.08615	22.0
85.02926	6.7
85.06532	4.4
86.09721	4.2
91.05485	61.5
93.07043	70.4
95.04980	31.0
95.08610	41.7
97.02870	6.8
97.06533	10.4
97.10175	12.2
99.04442	4.0
99.08102	6.0
102.31181	3.4
102.69431	3.3
105.07031	63.5
107.04984	7.1
107.08589	38.1
107.76642	3.7
108.08981	3.4
109.06522	4.8
109.10165	16.1
111.04471	3.7
111.08111	7.3
115.05484	3.8
116.50648	3.2
117.06996	22.5
119.08583	47.5
120.48737	3.9
121.06516	10.1
121.10138	37.1
123.08083	11.9
125.09659	9.0
128.06276	4.8
129.06987	20.3
130.07805	3.7
131.08553	37.3
133.10109	37.5
135.08043	5.5
135.11703	14.2
140.54926	3.3
141.06993	5.3
142.07776	5.0
143.08554	12.8
145.10130	24.1
147.11674	23.8
149.09595	13.2
149.13293	5.2
155.08548	6.5
157.10129	15.6
159.11705	19.8
161.09714	4.1
161.13284	11.4
163.11214	5.5
167.08519	7.0
169.10149	11.2
171.11717	15.7
173.09645	5.6
173.13306	11.7
175.11237	4.8
175.14908	3.9
181.10130	4.9
183.11743	8.3
184.07368	12.8
185.13286	10.3
187.14900	8.1
189.11174	3.6
193.12192	8.0
197.13255	6.6
209.11644	3.7
221.13551	3.6
227.12843	6.3
241.19450	5.1
259.20486	18.1
267.15878	23.6
283.15466	5.8
283.20609	4.2
299.23648	6.6
332.53757	4.1
333.24265	15.8
415.29565	5.1
421.25870	7.5
433.31079	12.4
451.31985	11.2
469.33087	5.2
507.34592	4.0
517.35040	5.5
525.35767	58.8
526.35992	8.6
543.28693	6.1
543.36816	100.0
544.36981	11.1
557.38208	15.6
575.39105	15.3
791.39288	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.05510	1.2
56.05044	1.1
57.00142	0.1
57.03430	0.3
57.07070	0.3
58.06364	0.2
58.06628	0.4
60.08166	6.9
60.75846	0.1
63.17833	0.1
67.05504	2.3
68.05825	0.2
69.07069	0.9
71.07375	4.0
71.08628	0.2
78.97064	0.1
79.05496	1.7
80.05846	0.2
81.07063	2.0
82.07393	0.3
83.04983	0.2
83.08623	0.3
86.09706	32.1
87.10037	0.9
91.05486	1.7
93.07048	1.8
95.04961	0.3
95.08600	1.3
96.08928	0.2
97.06525	0.3
98.43040	0.1
98.98465	3.8
104.10044	0.2
104.10742	3.5
105.07027	1.4
106.07372	0.2
107.04948	0.5
107.08604	1.0
109.06515	0.2
109.10147	0.5
110.13359	0.2
117.07012	0.6
119.08582	1.0
121.10182	0.7
123.11694	0.2
125.00005	22.4
125.09659	0.2
126.00397	0.3
131.08612	0.7
132.08865	0.2
133.10106	0.9
135.11710	0.4
143.01056	0.3
145.10130	0.6
147.11664	0.5
149.09586	0.3
151.35599	0.1
159.11687	0.3
161.13264	0.3
163.11205	0.2
169.10135	0.2
184.07341	100.0
185.07648	1.8
189.61194	0.2
219.17474	0.5
220.17790	0.3
241.19632	0.2
257.18997	0.2
259.20627	0.3
261.22058	0.2
275.20004	0.9
276.20374	0.5
293.21356	0.2
322.53903	0.2
333.23965	0.2
335.25867	1.2
336.26199	0.7
349.23581	0.5
350.23987	0.3
496.33807	0.3
609.44910	0.3
610.45404	2.1
611.45703	0.3
633.73169	0.2
650.43640	0.3
772.41699	0.2
772.54785	2.2
773.54639	0.4
790.55743	1.8
791.56360	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.2
56.05033	0.8
57.07075	0.1
58.06628	0.5
59.07384	0.1
60.08162	5.7
62.73057	0.1
67.05493	0.3
69.07079	0.1
69.17898	0.4
69.18313	0.2
69.36790	0.1
70.06573	0.1
71.07372	3.1
71.08610	0.1
71.29314	0.1
77.39919	0.1
79.05475	0.2
81.07050	0.2
86.09702	30.3
87.10004	0.5
91.05470	0.2
93.07049	0.1
95.08609	0.1
95.83911	0.1
98.22612	0.1
98.98464	3.1
98.99117	0.1
104.10741	2.8
105.07035	0.1
109.10175	0.1
116.99497	0.1
124.99998	19.8
126.00377	0.2
131.08534	0.1
143.01050	0.2
184.07333	100.0
185.07686	1.9
186.07840	0.1
245.27396	0.1
335.25925	0.1
346.22586	0.1
496.33679	0.3
610.44952	0.1
664.12158	0.1
690.35425	0.1
690.46875	0.9
754.53314	0.1
772.54913	0.4
790.42358	0.1
790.55847	2.0
791.55878	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	13.7
55.05510	36.8
55.05763	3.3
56.05819	2.4
57.03442	22.7
57.07077	2.9
60.08164	3.7
61.02917	3.2
62.65425	2.1
64.76298	2.0
65.03954	3.2
67.05508	72.8
69.03434	10.4
69.07070	32.3
69.07417	2.9
71.01353	3.9
71.05003	12.8
71.07364	2.7
71.30257	2.9
73.02920	3.2
77.03918	3.0
79.05494	63.4
81.03421	100.0
81.07059	84.6
82.03748	4.1
83.04986	15.2
83.08624	30.0
84.02186	2.0
85.02917	8.4
85.06532	4.2
86.09706	27.7
91.03948	2.4
91.05489	59.3
93.07051	64.4
93.07630	4.3
95.04971	40.9
95.08611	33.9
97.02911	6.3
97.06536	15.4
97.10171	15.2
98.98481	3.5
101.02386	2.0
104.10708	2.8
105.07033	48.0
107.04955	13.7
107.08596	34.1
108.08929	3.0
109.02911	2.2
109.06523	12.4
109.10162	19.4
111.04428	3.4
111.08051	10.1
115.05451	3.1
117.07027	17.7
119.08582	36.6
119.19473	1.8
120.08958	2.2
121.06539	10.8
121.10143	24.6
122.10466	2.0
123.04490	3.2
123.08091	6.1
123.11745	4.5
125.00003	17.3
125.09650	10.4
127.03933	5.0
129.07034	15.6
131.04996	2.3
131.08560	27.0
133.06516	9.1
133.10135	24.1
135.08083	8.4
135.11707	14.1
137.09624	5.7
139.11240	2.1
141.06975	2.5
142.07796	3.6
143.08580	6.3
143.95943	2.0
145.06473	5.0
145.10115	22.3
147.08051	7.9
147.11676	19.0
149.09615	17.3
149.13234	11.5
151.11172	3.3
155.08578	5.2
157.10107	16.4
159.08084	2.2
159.11688	11.7
161.13257	2.2
163.11169	11.2
165.12819	3.9
169.10054	2.6
171.11703	4.5
173.09720	3.0
173.13289	4.4
175.11198	11.2
175.14806	3.0
177.12793	5.2
180.59006	2.0
181.10179	2.6
181.12253	2.4
183.11702	2.9
184.07349	82.7
185.13356	2.4
189.11256	8.6
193.12250	20.4
195.13860	4.8
199.11270	2.6
199.14943	3.3
211.13353	7.8
217.15898	6.1
223.13271	2.7
227.12807	13.5
229.14418	2.5
245.13971	2.6
249.14870	4.4
253.14391	2.6
255.15977	12.9
257.18982	4.7
267.15903	83.7
268.16272	2.9
269.17496	25.9
270.17758	3.1
273.14886	2.9
275.20096	23.3
275.27826	3.2
285.16989	8.7
347.18362	2.3
349.23831	16.3
350.23917	2.9
351.23160	2.5
365.23090	2.2
367.24680	5.7
369.24210	4.7
389.23474	1.9
397.23737	2.3
403.25134	2.1
405.26587	2.1
427.88708	2.1
431.29129	2.0
443.28125	14.8
447.27466	29.1
461.29007	87.3
462.29150	8.7
469.20395	4.1
479.30066	11.9
501.32831	2.4
539.51727	2.1
541.35217	39.0
542.35437	5.1
557.32068	2.3
559.36255	20.8
566.22601	2.1
577.36890	5.8
696.65912	2.1
792.38623	3.6
793.39551	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.1
55.05513	27.3
57.03444	16.6
59.04993	2.2
61.02902	2.4
65.03936	3.2
66.61382	1.6
67.05504	51.6
68.59919	1.9
69.03424	4.5
69.07066	27.9
69.12611	15.0
71.04982	7.3
79.05493	49.9
81.03417	57.3
81.07059	94.2
82.03791	1.7
83.04984	18.7
83.08622	29.0
85.02905	26.7
85.06547	5.2
91.05480	55.8
92.05786	2.4
93.07039	51.2
94.07378	2.0
95.04962	30.2
95.08609	26.3
97.02879	5.4
97.06541	11.8
97.10174	6.9
98.22636	3.7
99.08096	3.5
105.04513	2.1
105.07028	45.0
106.07458	1.7
107.04961	12.7
107.08589	29.3
109.06531	13.3
109.10139	10.2
111.04444	1.9
111.08083	14.8
111.36289	2.0
113.06004	2.4
115.05454	2.2
117.07043	10.4
119.08586	35.2
121.06509	7.8
121.10152	26.1
123.08077	6.0
123.11716	6.2
124.99923	1.9
125.09644	5.9
129.07014	12.4
131.08575	24.5
133.06490	5.4
133.10132	26.5
135.08096	2.2
135.11687	7.6
137.09616	4.0
142.07820	1.9
145.10133	13.9
147.08057	4.0
147.11676	24.8
149.09648	12.0
149.13266	8.2
151.11122	5.5
155.08586	2.0
157.10109	18.8
158.10561	1.8
159.11732	9.3
161.13280	3.2
163.11194	6.5
165.12775	5.0
169.10115	1.9
173.09538	2.0
173.13211	3.3
175.11218	16.0
177.12737	3.5
181.08603	1.8
184.07312	6.1
189.11153	1.9
193.12242	37.4
195.13785	2.9
211.13275	45.6
211.15146	3.0
227.12814	4.5
229.19514	2.4
247.20779	2.9
257.19049	3.8
267.15897	32.5
269.17450	35.4
270.17822	2.7
275.20071	35.4
276.20493	2.8
285.16968	57.7
286.17288	2.5
293.21146	6.9
349.23746	28.9
350.23840	2.1
367.24631	14.1
439.26743	5.3
443.27957	3.4
461.28915	28.3
462.29211	3.9
479.29999	100.0
480.30466	10.9
541.35217	21.8
542.35339	4.2
559.36340	46.5
560.36749	6.4
577.37408	20.9
578.37970	3.2
623.34058	4.5
657.24115	2.0
792.37933	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	2.9
58.06607	0.2
62.06081	0.4
64.70712	0.2
68.05030	0.2
70.06594	5.9
70.41525	0.4
71.08643	0.7
74.06119	0.2
85.10177	0.6
86.06071	0.2
88.07633	8.9
89.07945	0.1
91.88366	0.2
102.09185	2.7
106.08672	5.6
121.62782	0.1
128.43312	0.2
140.12813	0.1
160.44676	0.2
184.20677	0.2
202.21648	0.7
228.23236	4.4
229.23764	0.2
246.24284	100.0
247.24623	5.2
305.11737	0.2
310.96210	0.1
363.39865	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
55.05271	1.2
55.05513	14.3
57.03196	0.9
57.03441	8.7
57.07055	1.4
57.13452	0.6
59.82390	0.7
61.02915	2.0
61.16046	0.6
64.33208	0.6
64.72025	0.7
65.03939	3.1
67.05508	52.0
67.42151	0.6
68.05823	0.8
69.06733	1.2
69.07074	13.8
71.04981	2.5
71.08607	0.9
79.05496	35.5
81.07061	51.2
82.07379	1.3
83.04979	2.0
83.08622	5.8
85.02908	1.2
85.06531	1.4
91.03947	1.1
91.05482	19.9
93.07047	38.3
94.07329	0.8
95.04961	2.3
95.08611	37.6
96.08929	1.1
97.02873	2.0
97.06522	3.1
97.10172	3.2
99.08060	1.3
105.07029	15.2
107.08598	22.5
109.06501	1.3
109.10162	18.9
111.08092	1.3
111.11760	0.9
113.09686	0.7
117.07020	5.2
119.08588	12.4
121.10142	20.4
123.08096	1.2
123.11710	7.4
125.09580	0.8
129.07004	1.6
131.08580	9.9
133.10132	12.3
135.11681	12.0
137.13322	3.2
139.11165	0.8
143.08594	1.0
145.10129	8.0
147.11693	11.4
149.13237	6.8
151.14810	1.2
157.10146	1.3
159.11700	8.2
161.13284	7.0
163.14851	4.0
171.11679	2.7
173.13242	7.0
175.14801	4.2
177.16364	1.4
185.13254	2.1
187.14862	3.4
189.16431	0.9
197.13228	1.2
199.14865	1.7
201.16389	1.6
213.14836	0.9
215.18073	0.7
233.22748	0.8
241.19553	2.8
243.21140	6.1
257.18973	1.0
259.20596	7.0
261.22159	19.1
263.23688	1.6
277.21603	0.8
279.23300	1.0
285.21805	0.8
299.23691	1.4
315.23376	0.9
317.24850	3.3
324.06876	0.9
333.24188	5.6
335.25815	100.0
336.26221	6.3
337.27408	8.9
353.26895	0.7
517.40051	0.8
521.43445	2.1
539.44531	1.0
543.40094	0.8
595.47205	14.7
596.47443	1.0
613.48224	8.7
700.53900	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.7
60.08168	0.8
61.02935	4.9
67.05501	6.3
68.05850	0.6
69.03432	3.1
69.07077	1.8
69.20086	3.1
71.04996	1.9
71.07378	0.6
73.02923	4.2
78.76299	0.5
79.05492	4.8
81.03424	6.2
81.07058	5.6
83.04992	1.5
83.08630	1.8
84.08952	0.5
85.01797	0.4
85.02912	7.6
86.09709	4.2
87.10033	0.6
89.00967	0.5
91.03961	3.2
91.05479	5.2
92.05819	0.5
93.07037	4.2
95.04975	2.7
95.08617	2.5
97.02900	5.3
97.06548	1.7
97.10165	0.4
98.03726	0.4
99.04482	1.4
101.02396	2.0
103.03966	2.2
104.10781	0.7
105.07039	3.1
107.04982	1.9
107.08613	2.7
107.24654	0.4
109.02895	1.2
109.06530	1.2
109.10148	2.0
113.06025	0.9
115.03983	0.5
117.07029	1.3
119.08578	2.7
120.08969	0.7
121.06516	1.2
121.10181	2.1
123.08120	1.1
125.00019	3.1
127.03928	3.1
129.07069	1.1
131.08601	1.7
133.06520	0.5
133.10149	2.1
134.10545	0.6
135.11719	1.4
143.08531	0.4
144.64482	0.4
145.05016	1.3
145.10173	1.6
147.11745	0.9
149.09651	0.7
149.13321	0.5
157.10185	1.6
161.09663	0.6
163.06122	0.7
163.11208	1.4
175.11203	1.0
184.07347	15.0
184.08887	1.0
185.04298	1.0
185.07753	1.5
193.12285	1.8
211.13252	1.0
243.08408	2.8
251.12579	0.9
258.95218	0.4
267.15979	1.8
268.16360	0.8
275.20200	0.6
285.13766	0.4
301.09024	2.0
307.15106	0.6
315.10593	0.7
331.18811	0.9
347.18353	0.7
349.19992	2.2
367.24631	0.5
385.18460	0.9
413.17886	1.9
437.65393	0.4
439.19598	0.7
461.28983	0.8
462.29489	0.9
467.18695	3.1
469.20401	7.2
470.21024	1.0
494.76389	0.4
518.44641	0.5
541.22369	0.9
550.12048	0.5
560.37018	0.8
565.26495	2.1
567.27795	1.5
608.28363	0.6
641.31354	12.0
642.31952	1.3
643.45502	0.5
692.35852	0.5
695.32898	0.6
775.38763	2.0
776.38513	0.6
793.39685	100.0
794.40027	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	3.8
57.07065	1.2
59.04996	1.0
61.02921	3.0
67.05503	16.0
69.03426	13.3
69.07079	5.1
71.04984	6.3
71.10152	1.4
72.96318	1.1
73.02912	3.3
75.67371	1.0
79.05497	10.4
81.03419	18.9
81.07056	22.3
82.03780	1.1
83.04982	4.9
83.08614	2.8
85.02903	68.0
85.06535	1.5
86.03243	1.8
86.09676	1.3
87.94126	1.0
91.05476	9.7
93.07038	20.3
93.07616	1.2
95.04980	6.3
95.08605	43.9
96.08945	1.3
97.02896	23.4
97.06528	4.8
97.10179	2.3
98.06760	1.1
99.04457	46.8
100.04802	1.2
103.03939	83.6
104.04258	2.3
105.07026	16.0
107.08594	22.4
107.09290	1.8
109.02882	19.4
109.06534	2.7
109.10150	14.9
110.10452	1.1
111.08091	3.5
113.05995	3.0
113.41720	1.0
115.03871	1.8
117.07016	6.6
119.08575	22.3
120.08844	1.3
121.06528	2.4
121.10147	19.2
123.08067	8.3
123.11708	8.8
124.08442	1.2
125.00099	1.0
125.06000	1.2
125.09669	3.4
127.03912	100.0
128.04254	3.4
129.06990	2.5
131.08572	10.6
133.06516	1.7
133.10127	19.6
134.10472	1.5
135.08061	2.1
135.11682	9.7
139.07530	1.0
139.11151	1.7
141.09123	3.2
143.08562	4.3
145.04953	57.2
145.10127	10.5
146.05315	2.0
147.08064	3.5
147.11653	10.4
149.09637	4.1
149.13287	4.3
151.07542	2.1
155.08554	1.8
156.09232	1.3
157.10133	8.6
159.08054	2.0
159.11694	11.0
161.09607	6.2
161.13242	17.3
162.13605	1.5
163.06024	39.8
163.14838	1.8
165.09224	1.8
167.07104	1.2
167.10696	1.7
169.08739	1.4
169.10139	3.8
171.11711	4.8
173.09596	3.5
173.13254	8.9
175.11171	5.4
175.14877	5.3
177.09177	1.7
179.02625	1.0
179.10724	1.9
181.10097	1.6
181.12114	1.8
183.11725	2.6
184.07323	5.8
185.09711	1.4
185.13289	3.0
187.05971	6.8
187.11168	2.3
187.14818	5.9
189.12782	2.3
189.16379	4.9
191.10774	1.1
193.12234	2.2
195.11765	2.2
195.13799	2.0
197.13255	2.8
199.14857	3.1
201.12758	3.0
201.16383	2.3
203.14433	2.3
203.17874	1.5
205.07133	4.2
207.13817	2.9
211.14859	1.9
213.12750	1.5
213.16251	2.4
215.14365	4.3
217.15854	3.4
219.13817	2.6
220.20576	0.9
221.13461	1.2
221.15356	4.8
227.17900	1.2
229.15883	2.8
231.13763	2.1
231.17332	1.5
233.15395	8.7
235.16899	12.5
247.16931	7.0
249.18562	1.3
253.07118	1.5
255.15921	3.1
261.18594	2.2
271.08026	5.9
275.19958	2.3
287.20111	1.3
289.09158	5.0
301.21542	1.5
307.10278	5.8
313.21503	1.7
327.23071	2.3
329.24692	2.0
341.24808	4.1
353.24841	1.3
377.24576	1.5
383.29333	2.1
393.27759	2.1
405.31400	3.0
411.29031	1.5
415.29663	1.5
423.32477	4.6
429.30023	1.6
433.31058	9.6
434.31216	2.6
435.27472	4.2
441.33649	1.6
443.31464	1.3
451.32062	12.2
452.32288	2.6
469.33130	20.2
470.33386	6.4
487.33801	3.4
559.34058	1.8
560.35309	1.4
577.35223	2.5
595.35840	2.6
613.37244	2.8
630.01117	1.2
650.04626	1.3
668.23987	1.4
739.39673	1.4
758.40387	1.1
793.39764	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.3
59.05000	1.1
61.02926	5.3
64.41444	0.4
67.05511	5.8
69.03430	4.7
69.03723	0.5
69.07063	2.9
69.13197	3.0
71.01366	0.6
71.04988	2.3
73.02920	4.0
79.05489	4.8
80.84264	0.4
81.03423	6.1
81.07063	5.3
83.05005	1.3
83.08638	1.4
85.02910	10.9
85.06546	0.6
86.09757	0.6
87.04472	1.3
91.03970	3.3
91.04438	0.4
91.05479	5.4
93.07044	4.1
95.01342	0.5
95.05003	1.7
95.08599	3.9
97.02894	5.8
97.06555	2.0
99.04446	3.9
101.02399	2.1
103.03935	6.8
105.07047	5.4
107.05009	1.3
107.08599	2.4
109.02876	2.6
109.06503	0.9
109.10168	1.6
111.08083	0.8
117.07018	1.0
119.08549	3.4
121.06575	0.7
121.10144	3.4
123.08129	1.0
125.00035	0.8
125.26746	0.5
127.03920	9.2
129.07057	0.5
131.08568	2.8
133.10127	3.3
135.08098	0.5
135.11725	0.8
145.04962	3.6
145.10158	1.1
147.11688	2.3
149.09625	3.1
151.11180	0.6
157.10173	1.1
159.11761	0.9
161.13330	0.8
163.06030	3.9
163.11246	0.8
175.11250	1.0
179.14337	1.1
184.07281	2.2
185.04329	0.9
187.06055	0.6
193.12343	1.4
203.05307	0.7
243.08418	4.2
249.98529	0.4
267.16049	0.6
275.19788	0.7
283.15271	2.6
289.09317	0.6
301.09140	0.7
307.10349	0.5
315.19296	3.4
316.19772	0.6
331.19061	0.5
332.49228	0.5
339.18060	1.1
371.22101	1.8
429.17209	0.8
432.85764	0.5
441.21335	0.5
453.33966	0.6
469.20532	1.5
501.22992	10.9
501.29681	0.9
502.23361	0.7
533.27148	10.0
533.34387	0.7
534.27789	1.2
539.21106	1.1
623.30725	0.8
650.32098	0.6
793.43390	100.0
794.43695	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	2.8
57.07082	2.0
61.02928	3.2
67.05498	13.5
69.03419	12.2
69.07069	4.4
71.04998	5.0
71.31271	2.0
73.02910	2.1
78.52329	1.3
79.05509	7.1
81.03423	16.2
81.07064	21.2
83.04984	4.5
83.08597	2.5
85.02907	70.8
86.03234	1.6
91.05478	9.4
93.07044	18.3
95.04974	5.2
95.08606	42.5
97.02898	24.8
97.06509	3.8
97.10188	1.7
99.04456	43.7
102.02654	1.5
103.03942	97.0
104.04260	3.6
105.07018	16.3
107.08604	19.1
109.02877	19.0
109.06539	3.9
109.10157	16.9
111.04430	2.2
111.08084	2.5
115.03938	1.7
117.07050	3.8
119.08576	20.9
121.06481	4.0
121.10135	14.3
123.04408	2.6
123.08057	8.4
123.11731	6.5
125.09663	3.1
127.03917	100.0
128.04265	4.2
128.66237	1.6
129.07011	2.0
131.08589	8.4
133.10132	17.8
134.10406	1.6
135.08112	2.2
135.11684	10.7
141.09097	2.7
143.08588	4.8
145.04961	51.8
145.10141	13.3
146.05316	2.6
147.08083	3.2
147.11691	10.8
149.02345	2.2
149.09650	2.0
149.13280	3.5
151.07576	1.6
155.08585	2.0
157.10132	7.4
159.08066	2.1
159.11694	11.9
161.09654	6.1
161.13246	17.8
162.13617	1.6
163.06023	39.6
163.11186	2.3
163.14911	1.5
164.06329	1.8
165.09164	2.8
167.10684	1.6
169.10123	3.5
171.11716	6.4
173.09625	1.6
173.13239	10.3
174.90137	1.5
175.11151	2.9
175.14847	4.6
177.09100	1.5
179.08521	2.0
179.10657	3.1
183.11728	2.7
184.07306	2.0
185.13277	4.6
187.06030	5.8
187.11168	2.0
187.14804	5.2
189.12785	2.2
189.16435	4.4
191.10701	1.8
193.12344	1.5
197.13303	2.7
199.14886	2.8
200.20102	1.5
201.12804	2.7
201.16415	1.9
203.14322	3.2
205.07138	4.6
207.13829	2.8
209.13382	1.8
213.12665	1.9
215.14449	3.5
217.15904	3.3
219.13705	3.6
221.15312	6.7
233.15372	7.6
235.16946	10.3
247.16951	5.2
271.08038	7.4
280.26309	3.8
287.20221	2.0
289.09055	3.0
298.27277	1.6
307.10144	5.4
327.23212	2.0
329.24799	2.7
340.29852	1.8
341.24686	3.3
353.24896	2.5
395.25467	1.7
405.31625	2.2
409.31381	1.8
411.29062	1.6
415.30243	1.9
423.32623	5.5
427.00137	1.6
433.31143	6.7
434.31281	4.0
443.31659	2.3
451.31937	9.7
452.32315	2.6
469.33182	14.1
470.33585	5.0
487.34256	2.1
556.76563	1.7
577.34625	2.0
595.36511	3.6
793.39783	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.3
58.40768	0.6
61.02927	1.0
65.03946	4.6
65.63438	0.6
67.05495	2.6
69.03432	5.5
69.07055	2.1
70.55766	2.1
71.07990	0.6
73.02899	2.1
78.04684	1.0
79.05494	5.0
81.03408	3.1
81.07053	2.4
85.02911	7.5
91.05476	6.6
93.03399	1.1
93.07020	1.7
95.04976	3.5
95.08594	2.7
97.02883	2.2
97.06499	1.2
103.05470	14.0
105.03373	1.1
105.04520	0.9
105.07030	9.3
107.04945	7.4
107.08588	2.5
109.02866	1.3
109.06487	1.3
109.10140	1.2
110.03661	1.6
111.04449	1.7
115.03911	1.5
115.05451	5.3
117.07027	4.6
118.04168	3.2
119.04956	5.3
119.08577	7.0
121.06530	3.2
121.10134	1.5
123.04427	14.9
124.05183	1.1
125.05994	2.5
127.03915	1.9
129.07027	1.4
130.04147	0.9
131.04930	16.0
131.08592	1.3
132.05687	1.4
133.02864	3.8
133.04997	1.1
133.06479	8.4
133.10126	7.6
135.04408	1.7
135.08067	2.3
135.11690	2.9
137.05991	10.0
138.03108	0.9
139.03873	1.2
141.06999	1.0
142.02606	2.3
143.04883	1.2
144.05655	1.7
145.04968	1.3
145.06471	5.5
147.04390	8.1
147.08031	2.8
147.11678	1.1
148.05194	10.4
149.05994	3.6
151.03891	5.9
151.07549	2.3
152.04659	0.8
153.05475	3.8
157.06421	1.5
159.08060	2.4
160.05171	1.3
161.04749	0.9
161.05991	10.5
161.82260	0.8
163.07538	20.3
165.05473	24.8
165.09065	1.3
167.07036	55.6
168.07359	2.1
171.06523	1.9
173.05998	7.4
173.13277	1.2
174.06653	1.1
175.07574	5.9
175.14824	23.9
176.04648	1.8
177.05467	5.6
177.09026	0.9
179.07054	6.3
181.04956	69.6
182.05280	2.5
185.05948	0.8
187.07591	3.7
188.04648	0.9
189.05444	3.2
189.09114	3.0
190.06204	1.9
191.07025	100.0
192.07361	3.6
193.04947	0.9
193.08612	6.4
193.15892	3.2
195.06512	4.2
197.09753	0.8
201.05464	2.6
201.09102	1.2
202.06149	1.2
203.07005	4.5
205.08644	6.3
207.06506	3.8
207.08287	0.8
207.10164	2.5
209.08092	2.4
217.08594	3.6
219.06464	0.9
219.08202	1.3
219.10098	7.1
221.08020	1.5
225.07549	1.4
229.08513	0.9
231.06488	1.6
233.08063	7.8
235.07454	1.7
235.09581	7.5
236.08061	0.8
245.08054	2.8
247.07617	0.7
251.08943	1.0
261.11258	1.1
263.09155	28.4
265.10867	1.2
267.10260	3.5
283.09634	1.0
285.07648	1.0
289.10876	0.8
297.11194	2.0
299.09015	1.5
303.08777	0.8
307.09674	1.9
313.17972	8.1
317.06848	1.0
317.10223	11.2
318.10596	0.9
324.10144	0.9
325.10831	3.2
327.12210	0.9
329.10059	1.3
331.11847	1.0
331.18930	3.5
337.10574	1.6
339.12143	1.2
341.10217	0.8
343.11646	0.7
353.10172	1.0
357.13358	7.9
359.14691	1.7
367.11615	2.8
369.13437	1.1
371.14630	0.8
385.12747	13.2
386.13162	1.5
387.14462	2.6
399.14514	6.0
417.15448	27.0
418.15842	2.3
449.14108	1.1
465.22327	1.4
483.23544	1.7
493.24744	0.8
547.19092	1.5
588.05634	0.7
617.77679	0.8
625.27814	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.3
58.40768	0.6
61.02927	1.0
65.03946	4.6
65.63438	0.6
67.05495	2.6
69.03432	5.5
69.07055	2.1
70.55766	2.1
71.07990	0.6
73.02899	2.1
78.04684	1.0
79.05494	5.0
81.03408	3.1
81.07053	2.4
85.02911	7.5
91.05476	6.6
93.03399	1.1
93.07020	1.7
95.04976	3.5
95.08594	2.7
97.02883	2.2
97.06499	1.2
103.05470	14.0
105.03373	1.1
105.04520	0.9
105.07030	9.3
107.04945	7.4
107.08588	2.5
109.02866	1.3
109.06487	1.3
109.10140	1.2
110.03661	1.6
111.04449	1.7
115.03911	1.5
115.05451	5.3
117.07027	4.6
118.04168	3.2
119.04956	5.3
119.08577	7.0
121.06530	3.2
121.10134	1.5
123.04427	14.9
124.05183	1.1
125.05994	2.5
127.03915	1.9
129.07027	1.4
130.04147	0.9
131.04930	16.0
131.08592	1.3
132.05687	1.4
133.02864	3.8
133.04997	1.1
133.06479	8.4
133.10126	7.6
135.04408	1.7
135.08067	2.3
135.11690	2.9
137.05991	10.0
138.03108	0.9
139.03873	1.2
141.06999	1.0
142.02606	2.3
143.04883	1.2
144.05655	1.7
145.04968	1.3
145.06471	5.5
147.04390	8.1
147.08031	2.8
147.11678	1.1
148.05194	10.4
149.05994	3.6
151.03891	5.9
151.07549	2.3
152.04659	0.8
153.05475	3.8
157.06421	1.5
159.08060	2.4
160.05171	1.3
161.04749	0.9
161.05991	10.5
161.82260	0.8
163.07538	20.3
165.05473	24.8
165.09065	1.3
167.07036	55.6
168.07359	2.1
171.06523	1.9
173.05998	7.4
173.13277	1.2
174.06653	1.1
175.07574	5.9
175.14824	23.9
176.04648	1.8
177.05467	5.6
177.09026	0.9
179.07054	6.3
181.04956	69.6
182.05280	2.5
185.05948	0.8
187.07591	3.7
188.04648	0.9
189.05444	3.2
189.09114	3.0
190.06204	1.9
191.07025	100.0
192.07361	3.6
193.04947	0.9
193.08612	6.4
193.15892	3.2
195.06512	4.2
197.09753	0.8
201.05464	2.6
201.09102	1.2
202.06149	1.2
203.07005	4.5
205.08644	6.3
207.06506	3.8
207.08287	0.8
207.10164	2.5
209.08092	2.4
217.08594	3.6
219.06464	0.9
219.08202	1.3
219.10098	7.1
221.08020	1.5
225.07549	1.4
229.08513	0.9
231.06488	1.6
233.08063	7.8
235.07454	1.7
235.09581	7.5
236.08061	0.8
245.08054	2.8
247.07617	0.7
251.08943	1.0
261.11258	1.1
263.09155	28.4
265.10867	1.2
267.10260	3.5
283.09634	1.0
285.07648	1.0
289.10876	0.8
297.11194	2.0
299.09015	1.5
303.08777	0.8
307.09674	1.9
313.17972	8.1
317.06848	1.0
317.10223	11.2
318.10596	0.9
324.10144	0.9
325.10831	3.2
327.12210	0.9
329.10059	1.3
331.11847	1.0
331.18930	3.5
337.10574	1.6
339.12143	1.2
341.10217	0.8
343.11646	0.7
353.10172	1.0
357.13358	7.9
359.14691	1.7
367.11615	2.8
369.13437	1.1
371.14630	0.8
385.12747	13.2
386.13162	1.5
387.14462	2.6
399.14514	6.0
417.15448	27.0
418.15842	2.3
449.14108	1.1
465.22327	1.4
483.23544	1.7
493.24744	0.8
547.19092	1.5
588.05634	0.7
617.77679	0.8
625.27814	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	3.5
61.02906	3.5
67.05501	7.1
69.03432	18.8
69.07066	3.3
69.19494	9.8
71.04985	5.4
73.02898	2.8
78.12440	1.3
79.05488	4.2
81.03422	14.4
81.07061	11.6
83.04967	1.9
83.08604	2.1
85.02907	82.8
86.09711	3.0
91.03954	1.9
91.05449	3.6
93.07030	12.4
95.04935	1.4
95.08601	19.1
97.02886	28.9
97.06526	3.1
97.10148	1.3
98.22934	5.4
99.04459	42.8
103.03944	65.4
104.04281	2.2
105.07034	6.8
107.08598	13.0
109.02894	14.3
109.10165	9.8
115.90982	1.3
119.08588	10.9
121.10138	12.2
123.11684	3.9
124.99982	2.2
127.03918	100.0
128.04289	2.0
131.08565	2.6
133.10135	7.2
135.08067	2.3
135.11693	5.8
137.09573	1.6
139.03819	1.1
143.08582	2.1
145.04962	51.8
145.06128	2.5
145.10127	4.5
147.08009	2.0
147.11711	5.0
149.09579	2.3
149.13248	1.5
153.09126	1.5
155.08702	1.3
157.10138	2.3
159.11688	4.9
161.09627	1.9
161.13280	8.7
163.06035	25.6
163.11108	1.6
165.09203	1.3
171.11639	1.4
173.13309	3.2
175.11209	3.8
175.14857	3.2
181.12224	1.9
184.07381	7.6
185.13301	1.5
187.05994	5.3
187.14862	2.4
189.16396	2.4
195.13852	1.4
201.16423	2.3
203.14374	2.1
203.17989	1.9
205.07085	11.9
209.15356	1.2
211.14850	1.4
217.15871	3.2
221.15352	3.1
229.15887	1.7
231.17415	2.1
233.15489	1.5
235.16942	8.0
247.16928	3.1
248.56508	1.3
249.18542	3.3
261.18497	1.4
271.08224	7.2
289.09262	15.2
307.10211	21.8
325.25192	1.5
329.24884	2.1
343.26273	5.7
355.26474	1.7
406.96854	1.4
407.32758	1.3
417.31403	2.5
425.34183	4.6
435.32736	8.3
453.33456	10.7
471.34793	7.0
530.81836	1.4
794.42603	4.4
799.63989	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.5
57.85068	1.9
59.99154	1.5
61.02931	3.8
67.05496	6.8
69.03435	13.1
69.07063	2.9
69.67325	1.4
71.04995	6.4
73.02910	3.9
79.04469	1.3
79.05494	5.6
81.03413	15.9
81.07051	8.9
83.22159	1.3
85.02905	70.9
86.03234	2.2
86.09715	2.0
87.04435	1.8
91.05476	5.1
93.07047	10.0
95.08626	15.5
97.02894	29.0
99.04454	49.2
103.03944	79.6
104.04169	1.6
105.07040	6.1
107.08604	13.2
107.37541	1.6
109.02887	15.3
109.10156	15.7
117.07057	1.8
119.08592	8.6
121.10171	12.5
123.08058	1.8
123.11684	2.3
124.99987	3.0
127.03919	100.0
128.04285	3.2
131.08546	3.6
133.10150	10.7
135.11751	7.2
143.08443	1.9
145.04964	59.3
145.10146	5.3
147.11708	9.8
149.13274	3.0
157.10187	1.9
159.11739	6.0
161.13278	6.1
163.06018	55.1
163.14832	1.7
164.06380	1.6
165.12666	1.9
169.10075	1.6
171.11691	3.2
173.13260	5.7
175.14919	1.5
184.07355	8.2
185.13342	2.0
187.06017	7.3
187.14827	2.4
189.16382	2.3
191.18088	1.4
199.14862	2.1
200.15234	1.7
201.16406	2.2
203.17886	2.1
205.07103	6.2
209.13196	1.8
213.16426	3.3
217.15875	2.6
219.17542	1.7
231.17401	2.0
235.16956	3.1
247.17015	2.1
253.07097	2.1
271.08090	7.2
287.23990	1.5
289.09073	8.8
307.10193	7.9
322.81561	1.6
343.26282	13.5
353.98767	1.6
355.26422	7.6
361.84045	1.5
365.28275	1.8
425.34140	15.8
435.32645	16.2
436.32782	2.2
453.33627	28.2
454.33752	4.1
471.34708	4.2
540.22504	1.7
643.12585	1.6
707.36371	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	0.9
57.03432	0.2
57.07071	0.2
58.06366	0.2
58.06635	0.4
59.07393	0.2
60.08163	6.1
67.05508	0.5
69.07064	0.3
71.07372	4.0
71.08595	0.2
77.89883	0.1
79.05497	0.3
81.03426	0.3
81.07057	0.6
83.04987	0.1
83.08595	0.2
86.09704	32.4
87.04464	0.3
87.10035	0.5
91.05469	0.3
92.24858	0.1
93.07040	0.3
95.04917	0.2
95.08587	0.4
98.98463	4.2
104.10735	2.8
105.07047	0.4
107.08595	0.2
109.10156	0.2
119.08583	0.1
121.10075	0.1
124.99999	22.7
126.00293	0.2
133.10156	0.1
143.01021	0.3
147.11668	0.1
162.95605	0.2
184.07338	100.0
185.07677	1.9
267.15915	0.2
335.25751	0.2
379.26041	0.1
533.41479	0.2
534.31512	0.2
735.42993	0.1
741.32147	0.1
794.53198	3.8
795.53571	0.9
826.92596	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.7
58.06639	0.6
60.05647	0.3
60.08165	6.9
67.05499	0.5
69.07079	0.3
69.18822	0.3
69.19225	1.1
70.06590	0.2
71.07378	3.6
79.05505	0.4
81.07056	0.5
83.04964	0.3
83.08627	0.2
86.09707	30.6
87.04455	0.6
87.10036	0.6
91.05489	0.4
93.07063	0.4
95.08614	0.4
97.10217	0.2
98.98467	3.8
104.10751	2.0
105.07016	0.3
106.14661	0.2
107.08588	0.3
109.10177	0.4
119.08588	0.2
121.10157	0.4
125.00005	21.7
131.08533	0.2
133.10162	0.3
143.01065	0.3
184.07343	100.0
185.07687	1.5
229.14565	0.2
238.71793	0.2
256.04166	0.2
309.18045	0.2
333.52246	0.2
339.28867	0.2
440.07916	0.2
463.36591	0.2
582.65570	0.2
754.33545	0.2
776.52509	2.5
777.52368	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	15.3
57.07084	6.1
61.02924	3.2
63.67135	1.3
65.03930	2.6
67.05504	82.3
68.05859	1.7
69.07069	26.0
69.57351	3.5
69.57739	2.2
71.05007	1.8
71.08623	1.5
79.05493	43.3
81.07056	90.2
82.07381	2.5
83.04990	2.6
83.08616	15.5
85.02908	3.3
85.06539	2.8
85.10199	1.3
91.05479	26.7
91.06010	2.1
93.07048	43.2
95.04964	3.3
95.08605	67.8
96.08970	2.4
97.02882	1.9
97.06535	5.4
97.10158	8.2
99.08112	2.8
105.04498	1.2
105.07021	19.9
107.08589	23.3
109.10153	30.5
111.08064	3.8
111.11726	2.0
117.07007	6.5
119.08572	16.2
121.10136	25.3
123.08054	1.8
123.11711	12.6
125.09641	2.1
131.08546	10.4
133.10130	14.6
134.48592	1.2
135.11685	15.7
135.16457	1.1
137.13257	4.9
145.10152	9.5
147.11670	12.3
149.13281	9.9
151.11195	2.1
151.14838	2.6
152.78046	1.1
157.10211	1.5
159.11720	8.5
161.13246	9.6
163.14830	9.1
173.13243	8.7
175.14821	5.9
177.16370	3.1
185.13220	2.1
187.14838	4.3
189.16400	1.4
199.14998	1.5
213.53819	1.4
241.19583	2.7
243.21111	8.9
245.22725	2.3
259.20642	4.9
261.22110	24.6
262.22537	1.7
263.23758	6.3
299.01965	1.4
299.23807	1.5
317.24692	5.5
319.26395	1.8
333.24274	3.5
335.25781	85.5
336.26108	8.9
337.27344	100.0
338.27579	7.6
339.29086	5.8
387.28967	1.2
402.78522	1.4
523.44861	3.9
541.45917	1.9
558.55823	1.3
597.48730	33.5
598.48822	3.3
615.49762	20.2
616.50024	2.9
722.60718	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.5
61.02921	4.9
67.05505	4.0
69.03417	2.9
69.03539	3.0
69.07075	1.5
71.04993	1.6
73.02915	4.0
79.05492	3.9
79.33108	0.3
81.03423	4.4
81.07057	3.7
83.04983	1.2
83.08617	1.2
84.47919	0.4
85.02901	6.5
86.09700	0.8
87.04454	0.4
91.03942	2.2
91.05483	3.8
93.07049	2.9
93.83652	0.3
95.04969	2.3
95.08606	1.5
97.02887	4.0
97.06538	2.9
97.10170	0.6
99.04444	0.9
101.02388	1.8
103.03934	0.5
105.07032	2.3
107.04971	1.0
107.08601	1.1
109.02917	0.7
109.06509	0.5
109.10154	1.0
111.08050	0.6
117.07032	0.4
119.08550	1.7
121.10171	1.2
123.08142	0.7
125.00062	0.7
125.09669	0.6
127.03935	1.3
129.07043	1.0
131.08583	1.8
133.06454	0.3
133.10115	1.6
135.11748	0.7
137.05713	0.4
141.41100	0.3
145.10161	0.7
147.11697	1.3
157.10139	0.8
175.11237	0.7
184.07361	2.9
185.04285	0.6
185.07809	0.5
191.10820	0.4
193.12320	1.4
211.13321	0.6
243.08446	2.8
243.10542	0.4
251.12592	0.9
283.93689	0.4
285.17160	0.5
301.09134	0.5
313.08844	0.4
349.19821	5.2
350.20334	0.5
405.22635	0.6
439.19531	1.0
453.21158	0.6
469.20496	7.7
470.20859	0.6
541.22546	0.5
567.27740	5.0
568.28656	0.5
633.36505	0.6
667.33575	0.6
795.41296	100.0
796.41663	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.3
60.08167	0.3
61.02923	5.6
61.50983	0.2
65.03937	0.5
67.05508	3.8
69.03429	3.1
69.07072	2.2
71.01357	0.4
71.04995	0.9
71.07388	0.3
73.02914	3.4
75.04482	0.3
75.31474	0.2
79.05491	3.5
81.03421	4.6
81.07053	4.2
81.07508	0.2
83.04964	1.6
83.08617	1.3
83.28410	0.2
85.02907	6.1
85.06549	0.3
86.09705	1.0
87.04469	0.4
91.03957	2.4
91.05477	3.9
91.78880	0.2
93.07041	2.7
95.04968	2.2
95.08603	1.8
97.02890	4.7
97.06541	1.0
97.10152	1.3
98.22540	0.4
99.04473	1.0
99.08117	0.3
101.02375	1.9
102.50722	0.2
103.03934	0.4
105.07034	2.9
107.04994	0.7
107.08574	1.7
109.02911	0.8
109.06534	0.7
109.10150	0.8
111.04474	0.8
111.08090	0.8
113.05997	0.3
115.03934	0.3
117.07098	0.5
119.08579	2.0
121.06521	0.3
121.10162	1.3
123.08063	1.1
123.11694	0.3
125.00053	0.8
125.09621	1.3
127.03919	1.3
129.05536	0.3
129.07037	0.9
131.08574	1.4
133.06540	0.5
133.10139	1.3
135.08113	0.5
135.11710	0.7
137.05965	0.4
137.09596	0.3
142.07848	0.3
145.04958	0.3
145.10168	0.9
147.08052	0.5
147.11716	1.2
149.09673	0.7
157.10178	0.9
159.11682	0.4
161.09610	0.3
163.11209	0.5
165.09042	0.2
165.12849	0.4
167.07068	0.3
175.11227	0.8
184.07338	4.2
185.04308	0.9
185.07750	0.5
193.08653	0.5
193.12244	1.4
194.08888	0.2
201.03792	0.5
203.05272	0.4
211.13358	0.8
243.08372	3.8
243.10542	0.3
251.12611	0.9
257.12061	0.2
269.12375	0.3
285.16907	0.4
291.19412	0.3
301.08994	1.0
307.15179	0.5
315.10519	0.4
319.18805	0.2
343.14899	0.2
349.16104	0.4
349.19849	2.4
352.23303	0.2
369.15088	0.2
373.11487	0.2
383.16885	0.4
405.22638	0.7
443.19012	0.5
451.19440	0.4
453.21194	0.3
469.20438	8.9
470.20950	0.6
497.19971	0.3
499.21518	0.4
541.22400	1.1
549.26721	0.2
567.27704	5.6
568.28375	0.4
611.30908	0.5
679.32898	0.5
697.34729	0.3
795.41302	100.0
796.41614	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89890	0.9
57.03439	3.6
61.02932	8.7
67.05500	6.1
69.03429	5.7
69.07085	2.2
71.29865	1.5
73.02926	5.0
79.05505	6.2
81.03435	3.7
81.07069	6.4
83.05016	2.4
83.08621	1.1
85.02912	12.2
86.03256	1.1
86.09701	1.5
91.03957	5.5
91.05502	3.8
93.07043	6.7
95.01143	1.2
95.04977	2.4
95.08629	4.8
96.08978	1.2
97.02905	7.3
97.06547	1.2
99.04472	3.0
101.02396	3.7
103.03942	5.4
105.07050	4.9
107.05028	1.1
107.08580	5.0
109.02900	1.9
109.10196	2.0
111.04404	1.2
117.06990	1.1
119.08628	2.9
121.10174	2.3
127.03917	7.2
129.05518	2.2
129.07018	1.3
131.08582	2.2
133.05078	1.0
133.10143	2.3
135.11725	3.9
145.05017	4.4
145.10123	1.4
147.11729	1.9
163.06149	1.2
164.78308	1.1
173.13335	1.3
179.62932	1.0
181.05019	1.2
184.07449	4.0
185.04213	5.6
193.10271	0.9
193.12282	2.0
201.03705	1.3
203.05356	1.5
243.08437	7.0
263.12546	2.2
301.08945	13.3
315.10635	3.7
333.20490	4.3
357.14993	1.1
371.16660	1.5
373.11304	3.9
373.23676	1.9
383.16992	1.4
385.18362	6.1
386.09399	1.1
429.17392	3.0
431.24164	2.5
439.19479	8.3
469.20541	8.6
470.21106	1.6
471.97852	1.1
477.24875	4.5
481.20645	2.8
499.21536	1.5
500.22443	1.9
515.33514	1.6
541.22504	15.1
551.28430	11.6
561.33673	1.3
593.29718	1.1
610.30109	2.0
623.30298	5.2
625.32037	5.7
637.32227	2.4
651.33575	3.5
667.32941	30.2
668.33020	3.0
693.38025	6.0
709.33936	7.5
710.33582	1.4
735.39539	1.5
749.40790	1.7
777.40570	8.5
778.40948	3.0
795.41193	100.0
796.41479	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70022	0.7
57.03440	3.0
57.06235	0.7
57.07077	0.9
61.02931	6.5
67.05506	4.1
69.02814	5.4
69.03426	5.6
69.07081	2.7
71.05003	0.9
73.02912	4.3
73.59405	0.6
79.05484	4.1
80.68018	0.6
81.03415	4.6
81.07062	4.2
83.04990	1.3
83.08635	1.4
85.02918	6.7
86.09707	1.4
91.03954	4.3
91.05472	3.5
93.07054	4.3
95.04973	1.7
95.08633	2.5
97.02887	5.9
97.06532	1.0
97.10197	0.9
99.04491	1.4
101.02390	3.2
103.03965	1.0
105.07059	2.6
107.08618	2.1
109.02862	1.2
109.06583	0.7
109.10181	2.0
111.08122	0.6
117.07044	0.9
119.08606	2.2
121.10166	1.1
125.09682	0.9
127.03950	2.5
129.05516	2.2
129.07024	1.2
131.08604	0.9
133.10179	1.7
135.08109	0.7
135.11749	1.8
136.68185	0.6
145.04993	1.6
145.10179	1.0
147.11725	1.5
149.02296	0.6
157.10141	1.1
175.11255	0.6
184.03494	0.7
184.07353	4.3
185.04228	5.1
187.11024	0.7
193.12247	0.8
201.03812	2.1
218.36694	0.6
241.06880	1.1
243.08435	5.5
251.12711	2.5
259.08145	0.7
263.12460	0.6
267.09192	0.8
280.26511	0.6
283.15454	0.7
291.15695	1.0
301.08969	14.5
313.09006	0.8
315.10593	3.2
321.61115	0.8
327.10635	1.4
331.18826	0.7
333.20325	3.1
341.12015	0.8
349.16565	2.4
355.13797	0.8
357.15234	1.4
359.21664	0.8
371.17007	1.4
373.11197	5.4
373.23657	1.3
383.16748	1.0
385.18375	8.9
387.12723	1.6
395.16907	2.1
413.18045	1.9
415.16168	1.0
429.17551	2.1
429.23770	0.6
431.24283	1.7
433.25693	1.5
439.19785	1.9
443.19153	2.3
445.25656	1.0
453.20593	0.8
455.19736	0.8
457.20825	1.2
469.20465	8.1
470.20816	0.9
477.24579	1.7
481.20505	3.3
485.19913	3.1
487.21835	1.0
499.21783	2.1
500.22339	0.9
513.26923	1.1
515.33594	1.9
528.21851	2.2
541.22601	11.1
542.23279	0.8
551.28107	5.5
555.24426	0.7
567.27777	0.7
569.26782	0.8
583.30847	0.9
611.30560	2.0
612.31549	1.7
623.30353	4.0
624.30402	0.8
625.32135	2.7
637.32373	1.1
641.31879	2.4
642.32043	0.7
651.33643	1.3
665.35327	1.5
667.33002	1.7
668.32269	0.7
679.34247	0.6
693.38538	3.2
709.34052	20.4
710.34906	2.6
749.41101	1.8
777.40417	5.8
778.40369	1.0
795.41064	100.0
796.41418	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.6
61.02930	1.3
64.77393	0.5
67.05518	2.6
69.03405	0.7
69.07058	0.6
71.30235	0.9
73.02917	1.0
79.05504	0.9
81.07059	1.3
85.02901	1.6
86.09715	1.2
91.03951	1.1
91.05473	0.6
93.07066	1.0
95.08613	1.3
97.02887	1.9
99.04465	0.5
105.07020	0.6
107.08624	0.8
109.02889	0.8
109.10169	2.1
125.00013	0.8
127.03905	0.7
139.03925	3.7
163.03911	0.6
163.07765	0.4
173.11694	0.5
184.07338	4.5
281.08163	0.5
313.27441	1.0
343.58786	0.5
387.82092	0.6
413.17874	2.0
465.19495	0.7
517.20721	1.0
519.29327	1.6
691.40210	28.4
692.40503	2.9
693.77429	0.5
795.42828	100.0
796.43073	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	1.0
60.08158	1.3
65.03943	0.9
67.05504	9.8
69.03434	3.6
69.07075	3.0
71.04984	0.8
72.73300	0.7
79.05493	4.1
81.03401	1.2
81.07076	5.5
83.04980	8.7
83.08607	1.4
86.09723	4.1
91.05476	11.8
91.05999	1.1
93.07040	13.0
95.04975	2.8
95.08611	13.1
97.06539	1.4
98.22566	2.2
98.98445	1.0
99.04435	1.1
103.05485	1.4
105.07026	11.9
107.04993	1.5
107.08597	7.1
109.06520	1.4
109.10175	3.6
111.04444	7.3
111.08097	4.1
115.05430	2.1
116.06315	0.9
117.07011	3.9
119.08570	13.3
121.06512	2.7
121.10150	3.3
123.08086	3.5
123.11716	1.0
125.00018	2.5
125.09627	1.0
128.06235	2.1
129.07011	4.2
130.07806	1.2
131.08562	8.6
133.06447	2.0
133.10126	10.5
135.08061	2.9
135.11719	2.2
137.05980	4.8
139.07550	2.2
141.06998	3.0
142.07762	3.6
143.08588	8.1
144.09361	0.9
145.06477	0.9
145.10106	6.7
147.08000	4.8
147.11731	4.2
149.09669	1.3
153.06996	1.0
154.07697	1.2
155.08565	5.8
156.09335	1.4
157.10127	7.9
158.07260	1.1
159.08026	4.1
159.11731	5.2
160.08704	0.8
161.06094	0.9
161.09660	5.0
161.13289	3.0
163.07520	0.9
163.11191	1.0
165.07028	3.1
166.07590	1.0
167.08571	3.1
169.10175	5.8
171.08051	4.2
171.11705	4.6
172.08797	2.1
173.09595	4.4
173.13190	0.9
175.11177	2.5
177.12776	1.1
178.07777	1.4
179.08586	3.2
180.09344	1.8
181.10164	4.6
182.10947	2.6
183.08073	3.3
183.11627	4.5
184.07339	8.6
184.08728	1.1
185.06013	1.0
185.09613	7.6
185.13208	1.6
186.10342	1.1
187.07559	3.7
187.11218	5.1
189.12775	3.6
192.09331	2.9
193.10182	4.4
194.10915	1.7
195.08110	1.4
195.11586	4.4
196.08856	1.4
197.09563	2.8
197.13277	2.4
199.07582	2.3
199.11169	4.0
201.09172	2.6
201.12776	2.5
203.08565	1.1
203.10643	2.8
204.09282	0.9
205.10155	2.6
205.12186	0.9
206.10907	2.9
207.11655	5.5
208.08865	2.5
208.12325	1.4
209.09641	3.0
209.13254	5.1
210.10428	1.9
211.07576	2.1
211.11130	6.3
211.14792	1.6
213.09233	1.0
213.12790	2.7
215.10597	1.4
217.10181	2.7
218.10979	1.3
219.11734	3.5
220.12457	1.4
221.09692	1.7
221.13318	4.1
223.11104	6.3
224.11885	1.3
225.09125	2.5
225.12715	15.1
226.09761	1.1
226.13223	1.4
227.10655	6.4
227.14233	1.6
229.10187	1.6
229.12230	2.0
230.10922	2.2
231.11647	2.3
232.12396	1.6
233.09593	1.5
233.13243	3.7
235.11176	3.5
235.14819	2.0
236.11760	1.2
237.09180	1.2
237.12720	4.8
239.10689	2.7
239.14172	1.7
241.10268	0.8
241.12202	4.7
243.11633	1.4
243.13928	0.9
244.12454	1.4
245.09651	1.2
245.13155	4.5
246.13971	1.2
247.11124	2.0
247.14796	2.9
249.12740	2.5
249.16365	1.9
251.10738	3.3
251.14383	2.6
253.12260	16.0
255.13768	1.4
257.13129	1.4
258.14108	1.0
259.11142	1.9
259.14935	2.6
260.11990	1.5
261.12769	1.9
261.16437	2.4
262.13354	1.8
263.10657	2.2
263.14285	1.8
263.17856	1.8
265.12369	2.1
265.15802	1.7
267.13940	2.1
273.12851	1.4
273.16263	1.3
274.13632	1.0
275.14392	2.0
275.17786	1.1
277.12219	1.4
277.15964	2.3
279.13867	3.1
279.17422	1.9
284.15506	1.1
287.14438	1.8
287.17871	2.3
288.15115	1.0
289.15875	3.4
289.19339	1.9
290.16644	2.1
291.13705	2.2
291.17294	1.9
293.15298	2.8
293.18430	1.0
299.17932	1.1
301.19443	1.1
302.16678	1.2
305.15421	2.6
305.18964	1.9
306.16092	2.0
307.16919	3.4
307.20239	1.0
313.15671	1.2
315.17484	4.6
317.19092	2.0
318.19418	0.9
319.16956	1.2
330.19858	1.6
331.20450	1.2
333.18384	5.7
341.18857	1.3
359.20120	1.8
383.23654	2.5
393.21774	1.2
401.24756	3.7
403.26328	2.6
407.22067	10.6
411.23212	3.5
419.25854	4.9
429.24225	33.2
430.24493	4.4
447.25293	100.0
448.25751	12.8
465.26196	1.9
535.40204	1.3
569.37994	2.9
691.39551	1.6
717.37946	1.0
759.41632	2.0
795.43994	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.1
59.38145	1.7
61.02932	2.6
62.35981	1.7
62.65747	2.0
64.29081	1.8
67.05509	4.8
68.94672	2.1
69.03431	12.7
69.27374	14.7
71.04997	5.2
73.02921	3.5
79.05490	3.2
81.03428	17.5
81.07063	9.4
85.02907	68.4
86.03233	2.7
87.04476	2.1
91.05492	2.9
93.07037	8.7
95.08588	13.0
97.02901	32.0
97.06532	2.4
97.52502	2.1
98.23413	2.9
99.04453	42.1
100.04804	2.9
103.03944	84.3
104.04275	2.5
105.07016	5.6
107.08586	6.6
109.02880	16.5
109.10129	6.9
110.03205	2.0
119.08585	6.1
120.08920	1.9
121.10150	8.6
123.11742	3.5
127.03917	100.0
128.04250	5.5
133.10056	4.5
135.08070	1.8
135.11717	4.0
136.17867	1.8
137.09618	2.0
145.04959	61.5
145.10175	3.0
146.05348	4.5
147.11678	3.7
161.09625	2.0
161.13199	4.3
163.06006	46.3
163.11159	1.9
164.06396	2.5
175.14810	2.4
184.07286	2.1
187.06039	5.1
187.07684	1.9
189.16345	1.8
205.07053	4.5
209.15492	2.4
221.15430	2.6
235.16965	3.5
253.07108	2.1
271.08044	6.3
281.89224	2.1
289.09174	6.3
295.18536	2.0
301.58566	2.0
307.10172	6.9
343.26257	2.5
395.29318	2.4
406.50659	2.0
413.30518	2.1
422.12216	2.1
431.31482	8.7
435.32654	3.1
436.33270	2.9
448.01941	1.8
453.33682	4.1
454.33893	2.7
471.34671	5.7
472.35007	6.4
795.42926	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.45
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.1
57.03632	0.5
59.04913	0.2
60.08042	0.8
61.02806	4.0
61.03156	1.2
62.01708	0.2
67.05377	6.2
67.05782	1.5
69.03300	2.3
69.03713	0.6
69.06948	0.6
69.07288	0.4
69.49093	1.2
69.49448	0.3
71.01244	0.4
71.04877	0.5
71.05219	0.3
71.07258	0.5
71.43932	0.2
73.02782	2.8
73.03236	0.6
79.05357	1.9
79.05853	0.3
81.03286	1.0
81.06912	2.8
81.07440	0.6
83.04886	0.4
83.08521	0.5
83.08940	0.3
85.02762	4.8
85.03330	0.7
85.06454	0.3
86.09558	4.0
86.10142	0.8
86.97378	0.2
87.04319	0.7
91.03805	3.1
91.05336	1.4
93.06888	2.1
95.04848	0.5
95.08453	2.5
95.09090	0.4
97.02727	3.5
97.03413	0.5
97.06413	0.3
98.98328	0.6
98.98952	0.2
99.04292	0.8
101.02225	1.5
103.03841	0.4
104.10628	0.4
105.06882	1.1
105.07529	0.4
107.08432	1.2
109.02734	0.7
109.09990	6.4
109.10798	0.7
110.10375	0.3
111.04244	0.3
111.07959	0.4
112.37674	0.3
115.03770	0.4
117.06878	0.4
119.08387	0.9
121.09956	1.1
123.07987	0.3
123.11563	0.2
124.99833	3.0
127.03735	1.5
131.08369	0.7
133.10008	0.5
135.11534	0.8
137.09489	0.4
139.03738	0.3
145.04810	0.4
145.10017	0.5
147.11568	0.3
155.10561	0.4
157.52229	0.2
159.11470	0.3
173.11722	2.0
183.06425	0.3
184.07343	14.2
185.04042	0.6
195.09689	0.8
195.11302	0.3
203.05197	0.3
229.14349	1.0
243.08443	2.2
301.08759	0.3
335.25467	0.6
413.17804	11.0
414.18073	0.8
499.21155	0.4
517.22534	0.8
519.29370	5.8
520.29535	0.5
633.40747	0.3
691.40240	100.0
692.40582	15.0
749.44543	1.0
777.43610	1.5
778.54517	0.3
795.44507	9.2
796.44855	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44758	0.2
57.03363	1.5
59.04949	0.4
61.02856	4.4
61.03193	0.4
67.05429	6.8
69.03354	2.7
69.06996	1.3
71.01280	0.4
71.04933	0.6
73.02838	4.1
79.05492	2.3
81.03339	1.4
81.07052	4.1
83.04910	0.4
83.08536	0.7
85.02904	5.5
85.03364	0.4
85.06474	0.3
86.09661	0.5
87.04396	0.7
91.03957	3.1
91.05479	1.6
93.07041	2.4
95.04937	0.4
95.08610	2.6
97.02892	4.5
98.23437	0.5
99.04462	1.1
101.02395	1.6
103.03826	0.6
105.07047	1.0
106.38514	0.2
107.08596	1.4
109.02786	0.9
109.10153	5.1
111.04392	0.3
111.07972	0.2
115.03813	0.2
117.06995	0.2
119.08561	1.1
121.10120	1.2
123.11614	0.4
124.99934	0.7
126.67175	0.2
127.03908	1.9
131.08511	0.5
133.10069	0.5
135.11575	0.7
137.09555	0.3
139.03755	0.4
145.04895	0.5
145.10040	0.5
147.11630	0.3
155.10641	0.5
161.13313	0.2
173.11719	1.5
173.13028	0.4
184.07347	2.0
185.04140	0.8
195.09810	0.9
203.05293	0.3
209.42307	0.2
226.36548	0.3
229.14198	0.7
229.35112	0.3
243.08456	1.6
251.12346	0.3
299.52222	0.3
335.25781	0.6
413.17776	7.3
414.18066	0.6
417.93704	0.2
517.22876	0.3
519.29285	7.5
520.29486	0.7
529.34888	0.3
691.40234	100.0
692.40515	16.6
749.44489	0.9
777.43567	0.8
795.44495	7.7
796.44769	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4497
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03440	2.4
57.46606	0.3
59.05005	0.8
59.07973	0.3
61.02929	4.5
63.98339	0.4
66.47072	0.4
67.05508	4.0
69.03432	2.8
69.07084	1.7
71.04997	1.7
73.02921	3.6
78.07732	0.4
78.80001	0.4
79.05483	5.0
81.03421	4.0
81.07058	4.5
83.04985	0.9
83.08632	1.3
85.02906	4.0
85.06567	0.4
86.09728	0.8
87.04492	0.8
89.66758	0.3
91.03954	2.5
91.05480	5.2
93.07048	4.2
95.04990	1.8
95.08625	2.7
97.02902	3.7
97.06582	0.5
98.22593	1.1
99.04464	0.9
101.02393	2.3
103.03950	0.9
105.07041	3.1
107.04943	0.5
107.08576	2.9
109.02912	0.7
109.06545	0.4
109.10100	0.8
111.08066	0.5
115.78717	0.4
117.07049	0.5
119.08605	2.7
121.06577	0.4
121.10155	2.3
123.08047	0.4
123.11705	0.4
125.00034	0.6
127.03964	2.1
129.07034	1.2
131.08612	1.6
133.10115	2.2
135.11758	0.4
143.08511	0.4
145.05034	0.9
145.10191	1.1
147.08104	0.6
147.11742	1.3
149.09624	2.0
157.10207	1.1
162.52263	0.4
175.11240	0.9
184.07274	2.6
185.04224	0.9
193.12305	1.7
203.05299	0.6
220.35226	0.4
230.80812	0.4
234.19362	0.5
243.08386	2.7
253.14149	0.5
259.20728	0.6
264.97522	0.4
265.14413	0.4
267.16034	1.1
283.15201	3.6
301.09055	1.6
309.16751	0.6
315.10468	0.9
339.18027	1.3
352.11365	0.4
354.97012	0.5
373.11246	0.7
389.97171	0.4
441.21252	0.4
465.21042	0.5
501.23056	15.5
502.23608	1.2
504.55148	0.4
529.23175	0.5
535.28802	5.0
573.25378	1.5
587.26996	0.7
601.28369	0.6
615.29846	0.7
633.40759	0.5
657.34546	0.5
709.32513	1.3
795.44995	100.0
796.45374	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67371	0.4
57.03433	0.5
59.05000	0.7
65.03944	3.0
69.05685	3.5
76.88055	0.5
77.03917	0.5
79.05509	5.3
81.01027	0.4
81.03412	0.6
85.02431	0.5
85.02907	6.5
86.09697	0.5
87.04475	1.0
89.03926	0.7
91.05480	9.1
93.03425	2.4
93.07050	0.8
94.04182	0.4
95.04967	2.3
95.74860	0.4
98.22646	1.0
103.05464	3.0
105.03395	1.0
105.04523	0.5
105.07034	1.6
107.04951	7.8
109.02864	0.8
109.06517	0.6
110.03669	0.9
111.04461	3.9
113.02398	0.5
115.03927	1.0
115.05428	0.7
117.03358	0.6
118.04162	0.7
119.04949	16.9
121.06515	5.4
122.03681	1.0
123.04416	1.7
123.08032	0.4
125.05986	4.6
131.04945	3.6
133.02859	8.5
133.05560	0.8
133.06499	9.3
133.07524	0.5
134.03619	0.9
135.04419	8.0
135.07977	0.6
137.05980	10.0
139.03963	0.7
145.02811	0.5
145.06474	1.0
146.03627	0.7
147.04413	100.0
148.04724	2.9
149.02324	0.6
149.05997	8.5
150.03166	1.2
150.06619	0.6
151.03865	2.0
153.05473	6.6
159.04428	1.8
159.94180	0.5
160.05182	0.4
161.02373	1.2
161.05989	9.0
162.06775	5.4
163.03928	6.8
163.07544	5.5
164.04570	0.5
165.05486	10.6
167.07040	7.0
171.04381	0.4
175.03972	1.0
175.07562	1.7
176.04713	0.6
177.05476	16.8
178.06219	3.0
179.03564	1.1
179.07031	31.4
180.07419	0.8
181.04979	0.7
183.06529	3.9
187.07486	0.7
189.05469	1.8
191.03441	0.5
191.07072	1.9
192.04044	0.5
193.04970	21.5
194.05716	2.0
195.06546	5.8
195.08122	0.9
203.07021	1.8
205.04990	1.2
207.06480	1.2
209.04445	1.5
211.06003	0.9
215.06941	0.7
217.08643	0.6
219.06476	0.7
223.05820	0.9
223.07790	0.5
223.45422	0.4
231.06552	1.5
232.07201	0.7
235.07582	0.5
253.08604	0.9
260.73196	0.4
265.08539	0.8
267.08557	0.7
269.08038	0.9
281.08026	0.5
283.09607	0.9
292.10590	0.6
293.08136	0.5
295.09515	0.7
296.10272	0.7
297.11282	0.7
299.09183	4.0
300.09769	0.5
301.10748	1.9
309.07718	0.6
309.11270	0.5
311.09143	1.8
313.10519	0.4
323.09348	0.8
325.10699	1.1
335.09128	0.5
339.08685	0.7
339.12433	0.5
341.10229	0.9
341.14090	0.5
353.10168	1.6
354.10980	1.0
355.11816	2.8
369.09610	1.2
371.11313	2.7
372.11655	0.6
379.11591	0.6
383.11624	0.5
395.10974	0.5
396.01950	0.5
397.12405	0.8
425.12506	2.7
441.12122	0.6
443.13446	1.0
479.50934	0.5
529.14624	0.8
531.16467	1.0
547.15833	1.1
549.18225	0.7
565.17194	4.5
567.18365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	4.0
67.05496	11.8
69.03423	10.6
69.07056	5.2
70.06564	4.8
71.04996	4.7
71.30826	6.8
79.05494	6.6
79.41366	3.7
81.03411	19.0
81.07058	11.3
85.02908	64.0
86.09717	6.6
91.05470	10.6
93.07026	11.9
95.08598	33.5
97.02887	41.9
99.04453	37.5
103.03936	65.6
105.07024	13.0
106.07832	4.6
107.08590	15.3
108.75589	4.0
109.02873	21.4
109.10134	15.3
111.42510	3.7
119.08603	24.4
121.10117	11.1
123.08087	4.7
123.11720	4.8
127.03919	100.0
131.08580	12.4
133.10144	13.4
135.11739	8.4
145.04988	50.4
145.10117	15.5
147.11687	9.6
149.13377	4.8
159.11694	12.9
161.13214	13.9
163.06012	32.2
163.14867	5.3
170.16316	4.0
173.13330	9.2
175.14766	8.2
184.07358	9.3
187.06009	5.4
187.14844	10.7
189.16478	6.4
199.15012	4.2
201.16417	15.0
203.17941	6.8
205.07030	5.5
215.17894	5.5
289.09183	4.6
302.30478	56.8
437.34225	45.8
438.34409	5.7
654.86688	4.8
796.41370	24.5
797.42853	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.7
57.07057	0.1
58.06635	0.4
58.59168	0.1
59.07380	0.1
60.08162	5.8
67.05521	0.2
68.98676	0.2
68.99014	1.0
70.06586	0.1
71.07368	3.2
72.34155	0.1
79.05478	0.1
81.07059	0.2
86.09702	28.5
87.10040	0.4
91.05466	0.2
91.22668	0.1
92.59711	0.1
93.07018	0.2
95.08613	0.2
98.98459	3.0
100.57259	0.1
104.10732	2.0
105.07043	0.2
107.08600	0.2
109.10179	0.1
114.52751	0.1
124.31197	0.1
124.99998	19.2
125.56879	0.1
140.00836	0.1
143.01067	0.2
166.02690	0.1
184.07332	100.0
185.07684	2.3
186.07861	0.2
313.27457	0.1
520.33441	0.2
540.34015	0.1
774.18701	0.1
778.53754	2.4
779.53827	0.5
796.53168	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.9
57.07067	0.2
57.64327	0.1
58.06622	0.4
60.08165	6.5
67.05508	0.3
68.51308	0.2
71.07372	3.9
71.08583	0.2
71.29986	0.2
79.05504	0.3
81.07066	0.5
86.09705	32.8
87.10040	0.5
91.05481	0.2
93.07062	0.2
95.08600	0.3
98.98462	4.1
104.10745	1.9
105.07037	0.2
107.08601	0.3
109.10207	0.2
119.08573	0.2
125.00004	24.2
133.10027	0.2
143.01073	0.3
184.07343	100.0
185.07733	1.6
297.16888	0.2
313.27051	0.2
671.38129	0.2
778.53857	3.0
779.53131	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.8
57.86981	0.1
58.06365	0.2
58.06636	0.4
59.07384	0.1
60.08165	5.3
61.08471	0.1
67.05494	0.2
68.99288	1.4
71.07374	3.3
73.66954	0.1
74.97787	0.2
75.82301	0.1
81.07041	0.3
86.09707	27.0
87.10043	0.6
91.05478	0.1
93.07058	0.2
95.08594	0.2
95.24825	0.1
98.98464	3.1
102.14875	0.1
104.10741	1.9
105.07043	0.2
125.00005	18.2
126.00362	0.3
127.00471	0.1
131.08540	0.2
143.01038	0.2
184.07343	100.0
185.07690	2.5
186.07771	0.6
290.18906	0.1
415.38446	0.1
778.53827	2.7
779.53180	0.4
796.52753	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	0.8
58.06604	0.4
60.08162	6.4
67.05490	0.4
71.07373	3.9
71.29869	0.4
77.81491	0.3
79.70656	0.3
81.07044	0.6
82.85272	0.3
83.04958	0.4
85.04571	0.3
86.09705	31.0
87.10013	0.6
91.63883	0.3
95.08581	0.5
98.98467	3.8
104.10762	2.3
107.08595	0.6
108.72778	0.3
125.00003	21.2
139.22525	0.3
166.92760	0.3
184.07343	100.0
185.07669	2.0
208.48026	0.3
292.07852	0.3
470.73471	0.3
532.22986	0.3
632.98132	0.4
796.54639	3.6
797.54803	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	13.8
57.07071	8.4
61.02923	3.2
61.85109	0.9
65.03929	2.9
67.05502	82.0
67.72677	0.9
68.05843	1.6
69.03421	1.6
69.07066	33.2
69.18788	7.4
71.04990	2.1
71.08625	3.0
79.05492	25.1
79.83091	0.9
81.07055	79.8
82.07400	1.2
83.04982	2.8
83.08614	18.6
85.02885	3.5
85.06530	1.8
86.09701	7.4
91.05473	13.9
93.07039	28.2
95.04938	1.4
95.08604	57.8
96.08930	1.2
97.02926	1.4
97.06518	4.2
97.10170	9.8
99.08097	3.0
105.07033	12.0
107.08588	13.5
109.10146	21.0
110.10469	1.1
111.08088	1.9
111.11707	2.7
111.90869	1.0
116.60394	1.0
117.06979	1.8
119.08590	11.2
119.27838	1.0
121.10141	13.2
123.08087	1.7
123.11711	10.6
124.99982	4.5
125.09612	1.3
131.08575	3.3
133.10126	7.8
135.11682	8.9
137.13252	3.5
139.11201	1.4
145.10101	2.3
147.11697	5.3
149.13240	5.8
151.14790	1.5
159.11699	3.2
161.13264	5.0
163.14835	3.3
165.16328	1.0
175.14827	2.4
177.16423	1.5
184.07338	18.1
185.13342	1.0
187.14879	1.5
189.16286	1.2
202.39725	0.9
243.21112	2.4
245.22728	4.6
252.53947	1.0
261.22025	4.7
261.51126	1.0
263.23746	5.2
335.25818	6.0
337.27341	100.0
338.27716	6.3
339.28839	8.4
373.16241	0.9
379.40460	1.0
393.56842	1.2
525.46405	2.3
543.47498	1.6
590.66016	1.0
599.50244	28.3
600.50525	3.2
617.51379	16.2
618.51959	1.9
786.30603	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.1
61.02930	5.2
65.03946	0.5
67.05504	5.3
69.03429	3.5
69.07069	2.6
71.01347	0.8
71.05003	0.8
71.29177	0.4
73.02926	3.9
75.18349	0.4
79.05494	3.7
81.03422	4.2
81.07053	6.0
83.04983	1.1
83.08627	1.6
85.02907	6.7
87.04459	0.5
87.75413	0.4
91.03960	2.9
91.05479	4.5
93.07041	3.9
95.04987	1.9
95.08620	2.1
97.02894	4.6
97.06554	0.8
97.10175	1.4
99.04475	1.1
99.37440	0.4
101.02386	1.3
105.07029	2.9
107.04978	0.4
107.08598	2.6
109.02876	1.1
109.06524	0.8
109.10180	1.1
111.08112	0.7
116.97780	0.4
117.07066	0.6
119.08575	2.3
121.10182	1.1
123.08135	0.5
125.09652	1.3
127.03921	1.6
129.06955	0.9
131.08571	1.4
133.10161	1.7
135.08008	0.6
135.11681	0.4
137.09586	0.5
145.10168	0.9
147.11729	1.5
149.09671	0.5
149.13245	0.7
157.10190	0.7
159.11745	0.5
163.03609	0.4
167.76196	0.4
174.00438	0.4
175.11211	0.5
185.04286	0.5
185.55528	0.4
189.74962	0.4
193.12375	1.0
211.13231	0.6
243.08345	3.1
251.12653	0.7
285.16934	0.5
351.21393	2.5
366.47241	0.4
375.15726	0.4
407.23935	0.5
425.30621	0.4
469.20422	8.5
569.29407	7.5
570.29932	0.6
631.00598	0.4
635.37286	0.6
643.69031	0.4
797.42865	100.0
798.43170	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.8
60.08168	0.5
61.02929	8.5
65.03941	0.4
67.05505	8.5
67.05833	0.6
69.03433	4.3
69.07073	1.1
71.01379	0.6
73.02921	5.9
79.05498	4.9
81.03414	2.3
81.07059	7.0
83.08620	0.7
83.76601	0.4
85.02905	6.3
86.09708	1.2
87.04488	0.4
91.03957	3.9
91.05474	3.4
93.07047	6.0
95.04985	0.6
95.08606	5.0
97.02897	6.1
97.06519	0.4
98.23452	0.8
99.04470	0.9
101.02406	1.9
104.44320	0.4
105.07064	1.2
107.08612	2.3
109.02863	0.8
109.10206	1.0
115.03927	0.6
117.07053	0.5
119.08615	1.2
121.10161	2.1
125.00043	1.3
127.03928	1.7
131.08603	0.9
133.10114	0.8
135.11737	1.1
145.10130	0.7
147.11717	0.6
149.13281	0.5
157.35768	0.4
184.07336	3.4
185.04199	0.5
203.05342	0.7
243.08546	1.6
244.69255	0.4
335.25937	0.9
519.29266	15.2
520.29919	0.9
797.51672	100.0
798.52014	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.9
61.02931	9.7
67.05510	8.6
69.03432	5.8
69.07079	2.1
71.05012	1.2
73.02927	7.1
73.28717	0.5
79.05489	5.9
81.03430	2.6
81.07060	7.2
83.08605	0.7
85.02908	7.7
86.09719	2.9
87.04484	0.7
91.03956	5.0
91.05488	3.6
93.07051	7.1
95.08609	5.6
97.02898	7.1
98.23339	1.5
99.04467	1.2
101.02387	3.4
105.07059	1.9
107.08569	3.3
109.02898	1.4
109.10192	2.2
115.03941	0.6
117.07072	0.8
119.08626	2.0
119.38226	0.5
121.10165	2.5
125.00021	1.8
127.03968	2.1
131.08551	1.1
133.10132	1.7
135.11708	1.8
145.10213	0.6
147.11690	1.0
159.11748	0.6
161.13272	0.7
184.07332	5.7
185.04256	0.9
203.05351	0.8
227.90401	0.5
228.94174	0.6
232.66306	0.6
243.08537	2.0
247.07600	0.5
335.25882	0.9
519.29303	18.7
520.29810	2.2
625.44714	1.1
707.02295	0.6
797.51709	100.0
798.52020	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04008	1.7
57.07074	2.5
60.08161	5.5
61.96392	1.7
67.05499	6.8
69.07066	3.6
71.07373	4.2
79.05495	3.4
81.07076	8.3
83.08608	3.0
86.09706	28.5
87.53932	1.8
91.05506	9.0
93.07053	9.3
95.04987	2.2
95.08628	6.5
97.10142	2.1
98.98474	2.6
103.05473	8.9
104.10764	1.9
104.55614	1.7
105.07035	15.5
107.08591	6.1
109.10161	2.5
117.07026	1.8
119.08611	4.6
121.06504	7.1
121.10143	37.4
123.11667	2.7
125.00009	22.7
131.04924	14.9
131.08560	3.6
133.10132	20.2
135.11664	2.4
147.11674	2.3
149.13278	1.8
155.08551	2.2
157.10159	7.8
161.13280	1.8
173.09584	2.0
177.57207	1.6
184.07343	100.0
185.07712	3.6
189.12776	12.5
199.36652	2.0
203.18044	10.6
213.16289	4.2
231.17387	4.1
241.08443	1.8
253.15898	7.0
274.03604	1.6
279.10098	2.1
293.11624	2.4
295.13300	3.1
309.14731	2.3
313.10660	4.2
313.27551	2.2
317.22650	1.9
318.11087	4.3
323.12671	7.9
324.13522	2.5
327.12170	2.9
331.11591	2.4
332.12512	5.5
334.00992	1.9
335.23688	24.1
336.24112	3.9
337.14383	7.5
338.15082	3.7
341.17599	2.1
345.13333	2.6
353.13791	2.5
354.14581	2.3
355.15399	5.1
359.14822	2.5
369.17038	12.1
370.17639	10.7
401.19586	80.4
402.19714	8.1
474.22266	1.8
531.23468	3.7
550.25507	7.7
601.44324	2.6
780.55078	3.3
787.97534	2.1
798.48438	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.564
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.7
56.14899	0.2
58.06617	0.5
58.58973	0.2
60.08167	5.9
67.05488	0.5
70.06579	0.3
71.07381	3.9
81.07058	0.5
86.09711	30.1
87.10013	0.7
95.08612	0.3
98.23358	0.7
98.98460	3.5
101.29850	0.3
104.10733	2.2
112.08134	0.2
113.10529	0.2
125.00011	20.3
131.04915	0.5
184.07353	100.0
185.07687	2.1
215.95894	0.3
228.94281	0.3
245.69406	0.2
254.20006	0.3
453.63138	0.3
469.96393	0.3
533.38306	0.3
780.55017	2.8
781.55286	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	0.3
67.05463	0.4
81.07040	0.3
91.05438	0.3
95.08565	0.3
105.06989	0.3
109.10157	0.3
123.11696	0.3
125.02067	0.7
161.13123	0.3
167.03131	0.6
185.04214	7.2
221.58228	0.3
227.05174	0.5
253.42285	0.3
267.08374	5.7
268.08859	0.4
269.06210	1.4
311.07379	2.0
329.08417	45.8
330.08633	1.8
374.85843	0.3
447.18137	0.3
493.32748	3.4
494.33221	0.6
511.32748	0.5
588.39728	0.3
655.37048	0.5
737.41864	1.0
799.42322	100.0
800.42639	17.8
800.57947	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
65.92513	0.3
69.26090	2.1
69.26460	0.3
70.56300	0.3
81.03327	0.3
95.08577	0.3
119.01888	0.3
122.11096	0.3
125.02050	0.4
139.03781	0.3
139.41951	0.3
149.01974	0.3
161.02948	0.3
167.03166	0.6
184.07338	0.3
185.04228	8.2
188.83665	0.3
227.05243	1.0
249.07343	0.5
267.08386	6.6
268.08771	0.5
269.06421	1.4
311.07275	2.4
312.07355	0.3
329.08426	48.4
330.08728	1.6
709.29102	0.3
737.42517	0.7
799.42316	100.0
800.42645	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.9
57.07085	2.3
61.02926	6.1
65.28994	0.6
67.05507	9.1
69.03433	3.6
69.07063	3.8
70.89703	1.2
70.90034	0.8
71.07388	2.1
71.08646	1.3
73.02932	5.4
75.00157	0.6
77.35463	0.6
79.05486	7.5
79.66375	0.6
81.03429	1.8
81.07056	8.4
81.07448	0.7
83.08641	1.9
85.02917	6.6
86.09707	9.7
89.27005	0.6
91.03982	3.5
91.05502	3.1
93.07042	6.1
95.04970	1.1
95.08625	5.0
97.02896	5.3
97.06577	0.9
97.10190	1.7
101.02431	2.1
101.19899	0.6
104.99311	1.6
105.07064	2.4
107.08614	2.6
109.09486	0.8
109.10135	3.6
111.08163	0.7
119.08634	2.0
121.10191	2.2
125.00076	2.6
127.03952	1.6
131.08598	1.3
135.11717	0.9
145.10146	0.8
146.98166	4.3
164.93048	0.7
184.07364	10.7
184.08897	0.8
185.04333	0.7
185.07756	0.9
195.00278	7.2
219.94267	0.6
243.08481	1.5
265.51511	0.7
268.97507	0.7
327.60104	0.6
335.25931	0.8
347.26077	0.9
474.56360	0.8
519.29181	6.4
520.29938	1.5
521.30762	6.5
539.39777	1.2
552.79498	0.7
609.44873	1.8
617.45300	6.4
627.45911	22.0
628.45972	3.3
659.51611	0.7
727.52509	1.6
741.44495	3.1
799.53265	100.0
800.53625	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.532
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.4
57.07088	0.4
61.02645	0.2
61.02927	5.4
64.55736	0.3
67.05505	5.8
67.53219	0.2
69.03430	3.6
69.07062	1.7
70.56295	0.9
71.01385	0.4
71.05016	0.5
73.02915	3.9
78.06735	0.3
79.05490	3.6
81.03410	1.5
81.07062	6.0
83.08636	1.1
83.53633	0.3
85.02902	5.8
86.09723	0.4
87.04478	0.5
91.03954	3.8
91.04456	0.4
91.05481	1.5
93.07036	2.8
95.08605	3.7
97.02897	5.6
97.06567	0.5
97.10180	0.9
99.04487	1.0
101.02379	2.2
105.07070	1.0
107.08605	1.7
109.02911	1.0
109.10152	1.6
115.03942	0.4
117.07048	0.3
119.08566	1.3
121.10190	1.2
123.11733	0.8
125.00060	0.4
127.03894	1.4
131.08607	0.5
133.10153	0.6
135.11731	0.7
145.05014	0.3
147.11699	0.4
149.13295	0.3
165.10052	0.3
184.07367	2.4
185.04276	0.4
199.18445	0.3
203.05360	0.6
243.08377	1.7
327.60117	0.3
335.25897	0.4
337.27420	0.4
519.29303	8.3
520.29736	0.9
521.30804	8.0
522.31195	0.5
799.53247	100.0
800.53589	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07088	3.8
61.26126	2.6
65.03931	3.6
67.05502	8.3
69.07066	5.1
74.42249	3.3
79.05469	5.5
81.07054	10.5
86.09716	10.4
91.05480	41.0
92.04394	2.9
92.61271	3.1
93.07047	9.9
95.08598	8.6
103.05468	19.3
103.38391	3.0
105.07024	27.2
107.08579	9.2
109.10140	4.7
115.05434	5.0
117.07038	13.9
119.08612	16.1
121.10143	4.6
123.11686	3.6
125.00004	8.3
129.07028	12.0
131.04912	34.5
131.08557	39.2
133.10115	8.2
135.11687	3.8
141.06982	7.4
143.08585	9.3
144.09349	3.1
145.10103	35.8
147.08060	4.7
147.11691	12.5
153.07010	4.3
155.08533	11.7
157.10173	15.0
159.11716	22.3
161.09731	3.2
163.11133	5.5
165.06982	4.6
167.08562	6.5
169.10106	7.0
171.11737	4.7
173.09601	6.1
173.13234	5.1
175.11230	17.1
178.07843	3.6
179.08542	6.9
181.10123	8.4
183.08057	6.1
183.11700	6.2
184.07300	41.3
192.09335	5.7
193.10135	7.8
199.14844	8.8
201.16391	54.2
205.10089	13.5
206.10802	3.7
207.11685	6.5
209.09558	3.3
209.13287	5.0
217.10129	5.0
217.15910	10.3
219.11775	13.9
221.09598	4.4
227.78044	3.1
230.10916	3.9
232.12521	3.8
233.13260	7.4
235.11195	5.9
235.14748	5.3
235.16882	4.9
241.08478	3.3
245.13344	5.2
247.14711	4.1
249.16168	3.5
261.16446	6.7
277.15857	7.1
283.09488	3.3
295.13431	6.4
301.10410	5.6
303.21060	19.0
305.15494	4.0
307.09833	5.3
309.14609	6.8
313.10461	3.2
317.10031	7.1
318.10947	10.7
319.20682	10.3
323.12738	10.5
327.12305	5.2
328.13031	6.4
332.12497	10.0
337.14337	20.8
337.21457	7.2
338.15057	11.1
339.12198	4.7
341.17468	5.5
345.13403	6.1
347.20203	4.7
355.15369	9.2
359.14926	6.6
369.16919	21.4
370.17746	25.8
386.17313	8.2
401.19571	100.0
402.20026	7.9
481.83417	3.1
531.23517	7.7
586.65051	3.9
789.91327	3.2
799.51068	4.3
800.53351	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	9.0
57.06792	1.7
57.07077	31.8
61.02937	2.1
63.82904	1.0
65.03933	1.5
67.05232	2.2
67.05506	29.5
69.03429	10.1
69.07067	32.4
69.67299	4.5
69.67704	1.9
70.65555	1.2
71.04994	3.3
71.08633	24.8
71.09010	2.2
74.64127	1.0
79.05501	23.1
81.03415	6.2
81.07055	31.2
83.04977	5.8
83.08617	14.8
85.02877	1.6
85.06571	2.0
85.10181	13.7
86.09736	6.5
89.06010	2.1
91.05483	15.6
93.07037	17.8
95.04964	7.8
95.08601	24.2
97.02895	9.4
97.06547	2.4
97.10169	17.8
97.10761	1.6
98.22737	1.6
98.98500	1.3
105.07022	11.8
107.04955	5.9
107.08595	14.0
109.02859	1.4
109.06527	3.0
109.10152	16.3
111.08118	1.1
115.05420	1.2
117.07022	6.7
119.08590	9.7
121.06529	3.6
121.10155	5.7
123.08072	3.1
123.11719	3.1
125.00021	3.6
125.09628	10.0
129.07025	3.0
131.08594	8.9
133.06512	2.8
133.10127	4.1
134.07286	1.1
135.08107	2.5
135.11690	3.5
137.09618	3.3
143.08585	2.9
144.33704	1.2
145.10135	5.0
147.08072	7.8
147.11702	3.0
149.09621	2.4
149.13249	1.8
157.10109	3.3
159.11737	3.8
161.09637	3.6
161.13219	1.3
163.11221	3.1
164.38545	1.1
171.11656	1.4
173.13280	1.6
175.11223	1.5
184.07346	15.2
185.13113	1.4
189.11237	2.9
195.11559	1.0
210.07652	1.1
223.13275	19.8
227.12767	4.4
239.23735	2.5
245.19127	1.6
249.14870	3.7
253.14307	3.0
255.17650	1.1
257.24576	1.3
273.18484	16.0
291.19540	100.0
292.19852	7.3
313.27350	72.7
314.27740	4.5
347.22284	2.3
365.23215	52.3
366.23459	3.5
519.28210	1.3
523.39490	3.6
571.85828	1.3
585.44940	1.7
603.46198	69.0
604.46521	10.9
628.46130	3.0
811.57178	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	1.0
57.03435	4.1
57.07074	16.3
57.19473	0.9
60.08169	5.4
65.03957	1.3
67.05505	33.9
69.03436	2.4
69.07068	11.1
71.04993	3.5
71.07368	3.1
71.08631	10.3
71.09002	1.2
79.05498	18.1
81.03409	4.4
81.07057	36.2
83.04978	7.5
83.08627	6.9
85.06551	3.8
85.10185	6.0
86.09705	27.3
91.05483	25.8
93.07046	16.2
94.07355	1.3
95.04970	5.6
95.08608	15.6
97.06519	3.1
97.10173	3.3
98.23386	2.0
98.98447	4.6
99.04463	1.4
104.10745	1.6
105.07031	23.3
107.04933	4.4
107.08605	16.2
109.06520	3.3
109.10155	28.9
111.08092	1.7
113.06020	1.6
117.07022	3.7
119.08574	5.9
121.06508	3.2
121.10149	3.3
123.08051	2.2
123.11688	6.4
124.99999	23.5
125.00864	1.7
129.07008	1.7
131.08606	4.8
133.06506	3.0
133.10136	30.6
134.10428	1.6
135.08072	3.5
135.11717	2.2
143.08588	3.2
145.10126	4.1
147.08054	1.6
147.11723	1.4
149.09645	3.3
151.11177	15.8
157.10204	1.4
159.07927	1.0
159.11765	1.1
160.12277	0.9
161.09595	4.7
169.12198	2.3
171.11731	2.0
175.11143	1.4
179.10649	1.2
184.07344	100.0
185.07625	2.7
185.13362	0.9
187.96298	0.9
189.12732	1.2
213.16542	0.9
215.12816	2.6
223.13397	1.2
227.17867	1.2
239.23708	2.0
245.19110	2.4
251.12770	2.7
251.66493	0.9
253.14345	83.4
254.14641	3.7
263.19958	2.1
273.18478	15.5
291.19540	15.3
313.27359	38.8
313.30988	2.1
314.27856	1.3
347.22086	5.4
365.23157	18.5
366.23654	2.0
502.51007	1.2
507.36920	2.9
509.38431	14.2
510.38834	1.4
523.39484	1.3
585.44666	2.5
603.46185	34.8
604.45990	5.9
628.45972	1.8
659.53265	1.0
706.62390	1.1
782.56628	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98794	1.4
58.99583	10.8
67.05523	7.7
69.03426	4.2
69.07091	1.4
70.02957	4.2
70.31708	3.0
75.91650	1.4
76.02227	45.5
76.03994	2.6
79.05487	2.9
81.07060	6.7
83.04983	10.9
83.08612	1.7
84.04505	12.4
91.05473	9.4
93.07044	14.2
95.04970	2.8
95.08616	12.7
97.06546	1.6
99.05566	2.8
105.07028	11.9
107.08591	5.9
109.06520	2.8
109.07647	1.9
109.10181	1.8
111.04476	7.5
111.08038	7.3
114.40993	1.6
115.05486	2.1
116.01643	9.8
117.07032	7.0
119.08595	14.3
121.06518	1.8
121.10117	1.8
123.08031	3.6
128.06203	5.7
128.10942	1.5
129.07050	7.6
130.05000	5.7
130.07872	1.6
131.08568	14.9
133.10132	7.9
135.08083	1.8
137.05962	2.5
139.07553	4.7
141.04765	1.7
141.06964	4.7
142.03224	6.1
142.07777	3.9
143.08569	11.0
144.01146	6.0
144.09315	1.9
145.06071	24.1
145.10114	14.0
146.10645	1.7
147.08003	3.5
147.11687	7.7
149.09509	2.2
152.06219	1.7
153.06938	2.0
154.07814	4.1
155.08508	14.8
156.09325	3.5
157.10104	9.3
159.08057	4.8
159.11661	8.1
161.09596	4.0
162.02199	19.8
165.07060	3.9
166.07755	1.6
167.08594	4.8
169.10120	16.1
170.02820	2.2
171.08061	3.1
171.11697	8.3
172.08786	1.8
173.09625	14.3
175.11249	5.2
178.07796	2.1
179.04852	28.5
179.08546	5.9
180.09311	4.1
181.10173	7.7
182.10823	2.5
183.11635	4.7
185.09605	3.4
185.13257	3.2
187.11223	10.7
189.12781	3.4
191.08519	2.1
192.09335	4.3
193.10118	8.3
194.10875	3.0
195.08054	3.0
195.11736	11.7
197.09618	5.9
197.13275	4.3
199.07307	1.9
199.11171	4.2
199.14899	1.8
201.12762	3.5
203.08603	2.3
205.10120	5.6
206.10844	5.5
207.11710	10.4
208.12393	4.6
209.09547	2.1
209.13257	6.0
211.11130	5.3
211.14842	6.1
213.09035	2.2
213.12740	5.9
215.08740	2.4
215.10634	10.2
217.10118	4.0
218.10963	4.7
219.11700	9.1
220.12398	3.4
221.09656	2.1
221.13301	16.8
223.11215	5.2
223.14755	7.0
225.12735	5.0
226.15819	2.7
229.10167	4.3
230.10918	4.0
231.11725	8.3
232.12439	4.9
233.05814	10.4
233.13513	8.7
235.11067	4.5
235.14813	5.0
237.12787	4.2
239.14201	7.0
240.09428	1.8
241.12247	4.1
243.11667	5.1
244.12433	6.5
245.05919	2.5
245.13315	10.8
245.15465	3.0
246.14001	6.3
247.11346	2.9
247.14844	7.1
249.12704	3.2
249.16446	3.4
251.08688	1.7
255.11435	1.8
255.13907	3.2
256.12375	1.8
257.13208	6.2
257.15558	3.2
258.13983	4.6
259.14883	10.3
260.15540	3.3
261.12646	3.5
261.16415	6.6
263.14276	1.9
263.17999	1.9
265.12286	4.2
267.13770	3.9
270.13925	3.0
271.14856	7.0
272.15488	1.9
273.16333	6.9
274.10303	5.1
274.13391	1.8
274.17050	4.4
275.14365	1.9
275.18015	7.4
277.15952	4.1
279.13901	1.7
281.13055	2.3
283.14908	1.8
284.15500	3.7
285.16367	6.2
286.13708	2.0
286.16885	2.9
287.14651	1.7
287.17938	7.3
289.15955	2.1
289.19229	2.0
291.13632	1.9
291.17548	1.9
299.14688	2.4
299.17932	4.3
301.15945	3.2
301.19409	4.9
303.17459	3.0
303.20868	3.0
305.15561	2.0
308.09061	41.7
309.09424	1.6
314.20200	2.0
315.21075	2.3
316.21808	3.7
317.15326	2.2
317.18829	2.2
319.16931	3.8
327.17300	2.8
331.16824	2.2
342.19772	2.1
345.18362	6.2
358.36273	2.0
359.20139	2.1
360.20813	2.9
371.19897	2.2
373.21716	1.9
395.23636	2.7
399.23239	6.2
413.24933	8.1
415.26361	27.8
416.26648	2.5
417.24255	4.8
423.23248	6.8
431.25720	6.9
433.23297	7.7
441.24289	20.9
442.24738	2.2
459.25290	100.0
460.25906	8.7
460.31351	1.9
473.21713	1.9
477.26453	15.1
491.22504	9.4
637.29266	17.7
638.28961	2.5
648.13281	1.6
655.30719	9.2
656.31708	1.7
691.30499	2.4
709.31702	15.3
727.31604	2.2
766.33374	3.4
784.34149	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98794	1.4
58.99583	10.8
67.05523	7.7
69.03426	4.2
69.07091	1.4
70.02957	4.2
70.31708	3.0
75.91650	1.4
76.02227	45.5
76.03994	2.6
79.05487	2.9
81.07060	6.7
83.04983	10.9
83.08612	1.7
84.04505	12.4
91.05473	9.4
93.07044	14.2
95.04970	2.8
95.08616	12.7
97.06546	1.6
99.05566	2.8
105.07028	11.9
107.08591	5.9
109.06520	2.8
109.07647	1.9
109.10181	1.8
111.04476	7.5
111.08038	7.3
114.40993	1.6
115.05486	2.1
116.01643	9.8
117.07032	7.0
119.08595	14.3
121.06518	1.8
121.10117	1.8
123.08031	3.6
128.06203	5.7
128.10942	1.5
129.07050	7.6
130.05000	5.7
130.07872	1.6
131.08568	14.9
133.10132	7.9
135.08083	1.8
137.05962	2.5
139.07553	4.7
141.04765	1.7
141.06964	4.7
142.03224	6.1
142.07777	3.9
143.08569	11.0
144.01146	6.0
144.09315	1.9
145.06071	24.1
145.10114	14.0
146.10645	1.7
147.08003	3.5
147.11687	7.7
149.09509	2.2
152.06219	1.7
153.06938	2.0
154.07814	4.1
155.08508	14.8
156.09325	3.5
157.10104	9.3
159.08057	4.8
159.11661	8.1
161.09596	4.0
162.02199	19.8
165.07060	3.9
166.07755	1.6
167.08594	4.8
169.10120	16.1
170.02820	2.2
171.08061	3.1
171.11697	8.3
172.08786	1.8
173.09625	14.3
175.11249	5.2
178.07796	2.1
179.04852	28.5
179.08546	5.9
180.09311	4.1
181.10173	7.7
182.10823	2.5
183.11635	4.7
185.09605	3.4
185.13257	3.2
187.11223	10.7
189.12781	3.4
191.08519	2.1
192.09335	4.3
193.10118	8.3
194.10875	3.0
195.08054	3.0
195.11736	11.7
197.09618	5.9
197.13275	4.3
199.07307	1.9
199.11171	4.2
199.14899	1.8
201.12762	3.5
203.08603	2.3
205.10120	5.6
206.10844	5.5
207.11710	10.4
208.12393	4.6
209.09547	2.1
209.13257	6.0
211.11130	5.3
211.14842	6.1
213.09035	2.2
213.12740	5.9
215.08740	2.4
215.10634	10.2
217.10118	4.0
218.10963	4.7
219.11700	9.1
220.12398	3.4
221.09656	2.1
221.13301	16.8
223.11215	5.2
223.14755	7.0
225.12735	5.0
226.15819	2.7
229.10167	4.3
230.10918	4.0
231.11725	8.3
232.12439	4.9
233.05814	10.4
233.13513	8.7
235.11067	4.5
235.14813	5.0
237.12787	4.2
239.14201	7.0
240.09428	1.8
241.12247	4.1
243.11667	5.1
244.12433	6.5
245.05919	2.5
245.13315	10.8
245.15465	3.0
246.14001	6.3
247.11346	2.9
247.14844	7.1
249.12704	3.2
249.16446	3.4
251.08688	1.7
255.11435	1.8
255.13907	3.2
256.12375	1.8
257.13208	6.2
257.15558	3.2
258.13983	4.6
259.14883	10.3
260.15540	3.3
261.12646	3.5
261.16415	6.6
263.14276	1.9
263.17999	1.9
265.12286	4.2
267.13770	3.9
270.13925	3.0
271.14856	7.0
272.15488	1.9
273.16333	6.9
274.10303	5.1
274.13391	1.8
274.17050	4.4
275.14365	1.9
275.18015	7.4
277.15952	4.1
279.13901	1.7
281.13055	2.3
283.14908	1.8
284.15500	3.7
285.16367	6.2
286.13708	2.0
286.16885	2.9
287.14651	1.7
287.17938	7.3
289.15955	2.1
289.19229	2.0
291.13632	1.9
291.17548	1.9
299.14688	2.4
299.17932	4.3
301.15945	3.2
301.19409	4.9
303.17459	3.0
303.20868	3.0
305.15561	2.0
308.09061	41.7
309.09424	1.6
314.20200	2.0
315.21075	2.3
316.21808	3.7
317.15326	2.2
317.18829	2.2
319.16931	3.8
327.17300	2.8
331.16824	2.2
342.19772	2.1
345.18362	6.2
358.36273	2.0
359.20139	2.1
360.20813	2.9
371.19897	2.2
373.21716	1.9
395.23636	2.7
399.23239	6.2
413.24933	8.1
415.26361	27.8
416.26648	2.5
417.24255	4.8
423.23248	6.8
431.25720	6.9
433.23297	7.7
441.24289	20.9
442.24738	2.2
459.25290	100.0
460.25906	8.7
460.31351	1.9
473.21713	1.9
477.26453	15.1
491.22504	9.4
637.29266	17.7
638.28961	2.5
648.13281	1.6
655.30719	9.2
656.31708	1.7
691.30499	2.4
709.31702	15.3
727.31604	2.2
766.33374	3.4
784.34149	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	14.7
57.07079	30.6
58.99357	4.2
61.02907	4.0
65.14417	3.8
67.05499	36.2
68.44122	3.8
69.03438	4.9
69.07085	22.2
71.04974	6.1
71.08631	21.2
77.32024	4.2
78.23002	4.1
78.24564	3.8
79.05494	28.4
81.07061	39.3
83.08605	18.4
85.02895	5.4
85.06517	4.5
85.10169	11.9
86.09706	7.0
91.05458	24.7
93.07057	27.5
95.04955	6.3
95.08607	29.0
95.61612	4.2
97.06516	5.0
97.10155	10.0
98.22883	4.7
101.58271	4.0
105.07031	34.8
107.04888	4.1
107.08572	22.4
109.10165	18.9
117.07036	16.9
119.08611	20.3
121.10168	14.8
123.11694	6.7
125.09643	10.0
129.06999	6.3
131.08551	14.5
133.10115	13.4
135.08159	4.8
135.11702	6.7
141.06984	5.1
143.08527	6.2
145.10118	17.7
147.11717	9.4
149.09605	8.7
159.11694	19.9
161.13303	7.7
163.11159	8.9
171.11726	4.4
173.13266	7.9
179.14217	4.6
184.07281	27.1
185.13254	11.2
186.07927	4.2
203.14369	5.3
227.12752	19.5
232.95779	4.4
239.17899	7.7
257.19049	25.1
275.20163	33.5
313.27347	100.0
314.27707	5.1
331.22501	7.7
349.23807	40.1
507.40292	11.2
587.46735	51.9
588.47272	8.3
788.36871	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	8.4
57.07077	30.2
60.08166	3.0
61.02907	1.8
65.03939	4.2
67.05508	34.3
69.03426	5.8
69.07070	16.4
69.13593	14.8
71.04996	2.2
71.08636	19.3
79.05493	35.6
80.05797	1.7
81.03421	4.5
81.07063	28.2
83.04974	5.3
83.08622	22.1
85.02914	2.1
85.06548	1.8
85.10181	9.9
86.09715	13.4
86.15790	1.4
91.05482	18.4
93.07042	19.8
94.22643	1.5
95.08615	21.3
97.02911	2.3
97.06540	2.2
97.10173	39.2
99.08100	1.5
99.60405	1.4
105.07042	21.2
107.04955	4.9
107.08595	49.6
107.09288	3.4
108.08884	1.9
108.87083	1.5
109.02831	1.7
109.06508	3.7
109.10181	15.5
111.08070	4.2
111.11724	1.7
117.07016	7.4
119.08600	12.8
121.10122	5.2
123.11725	5.0
125.00015	10.0
125.09634	40.0
126.09945	1.9
127.03932	1.9
129.06989	1.9
131.08563	8.0
133.10129	8.5
135.08060	5.9
135.11710	3.4
143.10715	2.1
145.10112	16.1
147.11703	9.0
149.09590	4.9
153.09070	2.3
153.12805	1.8
159.11708	5.6
161.13191	2.7
162.15352	1.4
171.11649	3.5
184.07347	44.2
189.11201	23.1
214.39539	1.5
227.12776	100.0
228.13048	3.4
238.74117	1.9
239.08231	1.9
239.17972	2.9
239.23715	2.8
250.37955	1.6
257.19040	11.3
275.17072	3.1
275.20071	46.5
276.20636	1.8
279.01663	1.8
313.27374	66.9
314.27704	5.7
331.22546	9.1
349.23709	40.9
350.24042	2.1
389.17999	2.9
483.36694	7.9
538.06219	1.7
587.46765	52.8
588.46918	7.7
592.06696	1.9
605.47656	3.8
627.41010	3.6
802.47015	2.1
803.49225	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	21.0
57.07076	51.9
61.02922	3.4
65.03936	3.1
66.20599	1.6
67.05505	61.4
68.99178	16.4
69.03426	10.6
69.06725	2.7
69.07066	32.8
71.04984	5.3
71.07359	1.9
71.08628	38.6
72.08986	2.1
73.02911	2.1
73.07558	2.0
79.05491	41.1
81.03408	12.9
81.07055	78.7
82.07417	2.2
83.04989	11.2
83.08618	21.7
85.02899	7.1
85.06543	4.2
85.10183	23.0
86.09678	3.1
89.05994	2.2
90.29056	1.6
91.05482	33.0
93.07039	42.8
95.04971	10.3
95.08601	48.5
97.02904	4.5
97.06531	14.7
97.10166	9.7
99.08106	3.6
102.70802	1.6
105.07024	23.0
107.04925	9.0
107.08591	26.2
109.02888	2.8
109.06530	6.1
109.10155	19.2
111.08089	4.7
111.11742	1.8
113.09653	1.8
117.07011	14.0
119.08585	22.7
121.06484	4.7
121.10149	14.1
123.08057	2.0
123.11714	8.0
125.09634	4.4
127.03866	3.9
129.05568	2.1
129.06984	5.0
131.08563	17.3
133.06519	1.9
133.10139	19.4
134.10416	1.7
135.08038	4.6
135.11707	15.6
137.09584	2.0
137.13231	2.4
143.08620	3.7
145.10098	12.8
147.11679	8.3
149.09584	10.8
149.13258	12.2
151.11189	3.5
159.11688	13.8
161.09593	2.0
161.13246	4.3
163.11188	7.4
169.10165	2.8
171.11690	3.2
173.13264	4.2
175.11169	2.0
177.12791	4.7
179.14339	2.2
181.12262	2.2
184.07335	11.0
189.12862	1.7
195.13829	7.1
198.64346	1.6
227.12808	2.9
229.14304	2.2
229.19472	1.9
239.17982	3.0
239.23611	4.1
247.20834	1.9
255.15913	17.0
257.18939	8.3
257.24799	2.1
267.15930	3.7
269.17493	34.2
270.17825	2.3
275.20065	30.9
293.21164	2.5
309.20490	2.9
311.25565	2.2
313.27344	100.0
314.27695	7.6
321.23993	2.0
331.22601	4.0
349.23715	25.6
350.23962	2.6
367.24548	3.5
395.20984	2.3
407.17151	1.9
413.22189	2.7
493.38782	18.7
494.38943	2.5
507.40439	90.2
508.41010	11.8
547.43274	3.1
574.31976	1.8
587.46613	28.4
588.47369	2.4
605.47919	8.9
619.49164	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.7
67.05499	6.9
67.64024	0.5
68.92976	0.6
69.03418	1.3
69.07059	1.3
71.04986	0.9
71.30920	0.6
79.05496	4.0
81.03401	1.6
81.07053	7.4
83.04987	3.7
83.08597	0.7
85.02900	1.3
91.05470	6.6
93.07036	7.3
95.04981	2.7
95.08603	13.3
97.02878	1.0
97.06545	1.3
99.04456	1.7
103.03951	1.7
103.05423	0.8
105.07023	9.4
107.04935	0.7
107.08585	6.3
108.87721	0.5
109.02885	0.8
109.06532	3.3
109.10133	3.3
111.04431	2.0
111.08089	2.0
113.06015	0.9
115.05431	0.9
117.07019	2.1
119.08582	7.2
121.06474	1.7
121.10149	2.9
123.08072	2.5
123.11723	0.8
125.09644	1.1
127.03907	2.8
128.06226	1.0
128.67244	0.6
129.07011	2.6
131.08560	5.0
133.06427	0.9
133.10106	4.0
135.08041	1.3
135.11678	1.4
137.05989	1.9
139.07562	0.7
141.06992	1.4
142.07782	1.9
143.08556	5.2
145.06448	0.8
145.10129	5.2
147.08034	1.9
147.11655	1.8
149.09602	1.1
153.07011	1.5
154.07753	1.1
155.08545	10.9
156.09338	1.2
157.06445	1.0
157.10120	5.9
159.08105	1.5
159.11682	4.5
161.09636	2.3
161.13246	1.3
163.11205	1.4
165.07028	2.3
166.07748	1.0
167.08592	3.3
168.09302	1.8
169.10118	9.2
171.08080	0.8
171.11685	3.7
173.09624	1.3
173.13258	1.0
175.11296	0.8
176.63162	0.7
178.07755	1.3
179.08528	4.5
180.09348	1.9
181.06369	0.7
181.10100	5.6
182.07333	0.8
182.10887	1.0
183.08070	0.9
183.11702	3.7
185.09570	0.8
185.13191	1.1
187.06117	0.6
187.11278	1.3
189.12735	1.6
191.08563	2.3
192.09329	4.7
193.10109	7.0
194.10844	2.3
195.08099	2.6
195.11674	7.0
196.12381	0.8
197.09589	4.7
197.13290	2.0
199.11162	2.1
203.08554	1.3
204.09364	2.0
205.10127	5.5
206.10875	5.2
207.08128	1.0
207.11684	15.2
208.08946	0.6
208.12431	3.2
209.09669	1.5
209.13257	4.9
211.11151	1.0
211.14894	1.7
215.08702	0.8
215.10669	1.1
216.09309	1.1
217.10080	2.8
218.10913	2.5
219.08040	1.6
219.11664	10.7
220.09033	0.7
220.12526	2.8
221.09641	1.8
221.13232	10.8
221.15292	0.7
222.13884	1.5
223.11195	2.2
223.14851	2.1
224.11937	0.8
225.09116	1.1
225.12788	1.1
225.16541	0.8
229.10144	1.7
230.10892	1.0
231.11617	4.3
232.08827	0.9
232.12408	2.9
233.09663	1.5
233.13202	6.3
233.15288	0.6
234.10400	1.3
234.13885	2.0
235.11188	3.0
235.14732	2.8
237.12756	3.6
237.16451	1.9
239.10623	0.6
239.14299	1.6
243.11725	2.0
244.12422	2.0
245.09686	1.0
245.13264	4.6
246.10307	1.3
246.13995	3.9
247.11177	4.0
247.14787	6.2
248.11922	1.0
248.15422	0.9
249.12694	6.8
249.16420	1.6
250.13216	0.7
251.10507	0.6
251.14354	1.1
252.11581	0.9
253.12209	1.1
254.12833	0.6
255.11508	0.9
255.13841	2.1
257.09543	0.7
257.13300	1.7
258.14069	1.3
259.11359	0.7
259.14807	4.3
260.12091	0.8
260.15585	2.8
261.12820	3.6
261.16415	8.5
262.13611	1.1
262.16956	1.9
263.14319	3.7
263.17859	1.6
264.14856	0.8
265.12326	1.7
267.13766	5.7
270.14041	1.0
271.14713	1.3
273.12747	1.0
273.16342	2.4
274.13525	1.1
274.17056	0.8
275.14365	2.3
275.17932	6.7
276.18454	0.9
277.15927	1.3
277.19522	2.0
279.13840	2.0
281.15173	0.7
285.16327	2.4
286.16843	1.1
287.14316	1.6
287.17828	1.3
288.15027	0.9
289.15811	2.7
289.18954	0.7
291.13715	0.8
293.15393	1.5
301.15921	2.2
301.19394	1.5
302.16757	1.0
302.20450	1.0
303.17401	9.5
303.20810	0.7
304.18137	1.7
305.15399	0.9
305.18964	1.3
307.16989	3.2
315.17477	1.5
316.21677	0.6
319.16818	0.9
321.18399	5.7
322.18933	0.8
327.17502	0.7
329.18936	2.6
339.19949	0.8
347.19836	1.1
362.22385	0.8
397.25253	1.2
401.24738	24.2
402.25201	2.8
403.22595	1.2
407.23911	1.0
415.26285	14.6
416.26569	0.8
417.27985	14.1
418.28189	1.3
425.24863	3.6
433.27261	4.6
443.25809	79.0
444.26096	8.9
461.26849	100.0
462.27216	12.0
479.28012	8.1
480.27997	0.9
555.33264	0.7
556.33649	0.8
557.34503	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	9.3
65.52866	6.0
67.05505	57.6
69.03436	11.1
69.07069	26.1
69.15067	53.6
69.15403	7.4
79.05479	45.8
80.09650	6.4
81.03414	13.4
81.07053	68.3
83.04988	100.0
83.08595	10.1
91.05476	55.7
93.07043	44.6
95.04982	12.8
95.08605	48.4
97.02901	8.2
97.06536	14.6
97.10153	7.9
98.23328	12.6
105.07034	78.8
107.04977	11.5
107.08594	28.7
109.02914	8.5
109.06497	9.5
109.10175	19.3
117.07030	15.8
119.08582	47.7
121.05246	6.8
121.10140	16.1
123.11700	6.4
125.09673	6.4
129.06973	9.0
130.07722	8.5
131.08540	43.6
133.10117	36.7
135.11719	11.1
137.05962	11.9
141.07101	7.2
143.08582	12.7
145.10132	59.0
147.11710	23.8
148.58707	6.2
149.09637	10.5
155.08556	7.4
157.10121	10.3
159.11726	41.6
161.09605	6.0
161.13258	33.4
163.11160	6.1
173.09665	7.0
173.13275	12.8
175.11169	7.7
184.07391	18.9
200.67906	6.6
201.16411	54.1
202.17091	5.6
203.17986	13.5
275.20120	19.4
285.07574	9.4
310.08496	6.2
311.08990	12.3
329.09973	10.1
337.10764	6.9
341.10257	16.2
349.23724	20.3
355.11688	16.5
383.11267	21.9
385.12732	11.7
503.73486	6.4
541.25354	13.9
687.54010	6.6
803.42004	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	1.2
57.03442	1.5
58.99586	13.3
65.03958	1.1
67.05506	13.1
69.03436	1.8
69.07067	4.0
70.02967	4.2
76.02229	53.8
76.04010	4.4
79.05499	8.6
81.03439	1.6
81.07061	14.2
83.04979	7.7
83.06104	1.8
83.08608	2.1
84.04500	13.6
85.06547	1.6
86.99062	1.6
91.05481	13.5
93.07060	13.6
95.04974	6.0
95.08605	29.5
97.06528	2.1
99.04479	1.0
99.05589	3.7
105.07030	19.8
107.08591	13.6
109.06519	4.0
109.07648	2.9
109.10165	7.6
111.04434	5.5
111.08049	5.8
115.05429	2.5
116.01689	15.0
117.07024	8.6
119.08580	14.9
121.06516	2.7
121.10168	7.7
123.08089	8.1
123.11684	1.8
128.06198	5.4
129.07021	7.9
130.05008	6.9
130.07816	1.9
131.04996	1.2
131.08565	15.7
133.06485	2.0
133.10144	9.1
135.08081	3.3
135.11678	3.2
137.06033	1.5
139.07574	1.6
141.06969	6.2
141.09120	1.9
142.03217	5.9
142.07747	6.6
143.08556	12.0
144.01151	7.8
144.09343	1.5
144.95349	1.1
145.06073	24.8
145.10117	13.4
147.08072	4.7
147.11717	3.9
149.09634	3.0
151.07523	1.3
153.06987	4.0
154.07796	3.9
155.08560	20.3
156.09331	3.4
157.06586	1.1
157.10129	15.1
159.08055	4.5
159.11681	8.5
161.09639	5.0
161.13286	2.2
162.02205	25.6
163.07605	1.0
163.11179	2.2
165.06998	6.5
166.07797	4.2
167.08525	7.7
168.09344	3.0
169.06085	1.6
169.10126	17.1
170.02681	1.8
170.10760	1.7
171.08112	3.5
171.11671	9.4
172.08875	1.7
173.09665	7.6
173.13315	2.1
175.11180	4.7
177.03497	1.1
177.09125	1.5
178.07840	3.7
179.04845	32.9
179.08484	10.2
180.09294	4.9
181.10118	15.7
182.10727	2.0
183.08067	2.6
183.11694	10.0
185.03763	1.9
185.09621	4.1
185.13258	4.4
187.05444	3.1
187.11182	4.4
189.12778	2.3
191.08586	4.5
191.10599	1.9
192.09338	7.2
193.10124	17.2
194.10873	5.9
195.08121	3.7
195.11702	17.5
196.12404	2.4
197.09636	7.2
197.13237	7.4
199.07416	2.8
199.11168	6.1
199.14853	2.0
201.09056	2.5
203.08614	2.6
203.10533	1.9
204.09282	2.9
205.10138	9.9
206.10919	9.7
207.11693	26.6
207.13629	1.7
208.12387	6.4
209.09750	5.2
209.13231	13.9
211.11151	6.6
211.14854	4.2
213.09164	1.4
213.12794	6.1
215.04922	1.6
215.08562	2.4
215.10646	2.3
216.09306	1.4
217.10243	5.3
217.12083	1.3
218.10934	5.0
219.11771	17.9
219.13760	1.1
220.09064	1.4
220.12396	5.9
221.09908	1.7
221.13255	33.2
222.10413	2.5
222.13867	3.9
223.11237	8.8
223.14763	12.5
224.11919	1.5
224.15538	2.1
225.09222	2.1
225.12794	6.1
227.10765	1.6
227.14261	2.2
229.10147	3.7
229.15901	1.4
230.10982	2.1
231.04300	2.2
231.11679	9.9
232.12494	6.1
233.05943	11.5
233.09558	2.4
233.13271	17.4
234.10303	1.6
234.14017	3.7
235.11191	2.3
235.14842	12.2
236.11971	1.7
237.09256	1.3
237.12788	9.3
237.16388	3.5
239.10695	2.4
239.14368	4.5
241.12303	4.7
243.11847	2.5
244.12637	2.3
245.05997	1.3
245.13275	7.0
246.13957	7.6
247.11224	3.0
247.14809	15.0
248.15530	2.9
249.12819	9.8
249.16483	5.7
251.10837	1.8
251.14343	4.7
251.17967	2.7
253.12311	3.1
255.11479	1.9
255.13864	2.9
257.13275	3.5
258.14142	1.6
259.11105	2.0
259.14801	8.8
260.12128	1.4
260.15521	3.5
261.12823	3.0
261.16418	19.5
262.17062	4.1
263.14435	6.7
263.17905	8.3
265.12296	3.0
265.15829	3.2
265.19476	1.8
267.13852	17.9
269.13028	1.8
271.14807	3.0
272.15491	1.7
273.12900	1.3
273.16397	4.2
274.10419	3.3
274.17087	1.6
275.14328	3.0
275.17960	8.1
276.18613	2.5
277.12363	2.0
277.16220	2.1
277.19504	8.5
278.20273	1.9
279.14160	2.0
279.17511	3.0
281.15402	3.4
285.16266	3.3
286.17090	1.4
287.17850	2.7
288.14828	1.6
289.15842	4.4
289.19070	1.9
291.17477	2.4
293.15451	4.6
293.18887	2.2
295.17065	1.3
301.15866	2.8
301.19254	1.6
302.20203	1.2
303.17432	7.1
303.20810	2.3
304.18198	1.8
305.15405	2.4
305.18820	2.3
307.16968	5.5
308.09113	56.2
309.09344	1.7
315.17404	1.9
316.21991	1.3
317.22757	1.3
319.16916	3.5
320.17603	1.9
321.18607	9.5
322.19025	1.9
323.20020	1.7
329.18964	4.0
344.21231	1.5
347.20020	4.6
361.21643	1.3
362.22406	2.0
373.21564	1.8
397.25311	1.9
401.20782	1.4
401.24890	15.4
402.25281	2.4
415.26407	10.4
417.27908	46.8
418.28076	6.0
419.25830	3.8
421.54895	1.1
425.24728	9.0
433.27310	7.0
435.25220	3.7
443.25790	31.0
444.26065	3.6
461.26868	100.0
462.27197	10.7
477.60800	1.2
479.27905	15.4
480.28183	1.2
493.23734	3.1
519.25244	1.5
554.29376	2.8
639.30890	13.7
640.30786	1.2
657.31824	10.7
658.32452	1.5
675.33185	1.7
693.32062	2.5
711.33075	14.4
712.33197	1.7
768.34900	4.7
769.35229	1.6
786.36224	13.8
787.35815	1.8
804.37085	4.6
826.66235	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	11.3
59.04969	1.1
65.03934	2.5
67.05502	32.5
69.03435	9.2
69.06727	1.8
69.07067	24.0
71.04983	3.8
74.25855	1.2
79.05495	30.6
79.05951	1.7
81.03417	71.3
81.06580	2.2
81.07052	31.2
83.04987	8.9
83.08623	20.8
85.02906	1.5
85.06538	2.5
91.05481	32.3
93.07050	24.3
94.04188	1.2
95.04966	23.9
95.08607	12.5
97.02892	12.3
97.06525	3.0
97.10168	13.3
102.29389	1.1
103.75830	1.2
105.07020	22.4
107.04952	12.3
107.08580	15.9
109.06484	7.4
109.10152	10.4
111.04430	1.9
111.08079	6.3
112.94359	1.0
115.05454	1.5
117.07023	6.8
119.04933	2.3
119.08582	21.3
121.06471	5.3
121.10121	10.6
123.08067	4.8
123.11640	2.1
125.09649	11.0
129.06993	9.9
131.08562	13.8
133.06526	5.7
133.10110	13.0
135.08060	4.4
135.11711	3.4
137.05923	1.6
137.09583	3.3
142.07800	2.7
143.08507	3.2
145.06512	2.4
145.10147	6.0
147.08064	7.9
147.11673	7.6
149.09634	5.2
149.13206	1.9
151.11147	2.1
153.09071	2.8
155.08524	1.5
157.10101	9.7
159.08020	1.9
159.11697	2.8
159.52132	1.4
161.09641	2.9
162.10387	1.6
163.11189	3.1
165.09140	2.0
171.08017	1.4
171.10095	1.3
171.11679	2.4
173.09636	2.3
175.11160	8.5
177.12724	1.7
181.10109	1.4
185.13295	1.7
189.11220	3.2
193.12212	15.6
205.12343	1.9
211.13211	1.3
219.13832	3.9
223.13271	17.6
227.12738	8.8
249.14857	6.3
253.14296	5.8
261.14755	1.3
267.15900	76.8
268.16187	1.9
273.18430	13.4
283.15366	2.0
291.19534	79.3
292.19943	5.0
347.22079	2.8
365.18695	2.6
365.23227	48.2
366.23648	3.2
367.22903	1.4
385.23788	1.9
445.25601	4.4
459.27527	5.4
463.27084	2.0
465.30212	1.6
477.28519	3.3
483.31082	1.6
539.33856	6.6
557.34711	100.0
558.35052	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	13.2
61.02917	1.6
65.03938	3.8
67.05508	62.5
68.05827	1.5
69.03445	6.7
69.07069	12.9
69.67428	6.5
71.01363	2.1
71.04998	6.7
79.05494	44.8
80.82698	1.6
81.03419	82.9
81.07057	68.0
82.03712	1.4
82.07386	1.4
83.04987	16.6
83.08614	21.4
85.02911	1.9
85.06561	6.6
91.05484	68.5
92.05825	1.9
93.07045	40.1
95.04974	34.8
95.08607	24.3
95.09166	2.1
96.64326	1.2
97.02898	4.2
97.06521	5.6
97.10163	5.4
98.23232	2.2
99.04475	2.1
99.08083	1.5
103.05428	1.5
103.13795	1.2
105.07034	57.2
107.04956	14.3
107.08602	39.4
109.06535	12.5
109.10154	51.2
110.10500	1.5
111.04456	5.0
111.08038	7.1
113.06025	3.0
117.07051	8.6
119.04928	2.7
119.08586	20.4
119.09361	2.3
121.06526	10.0
121.10136	13.5
123.04458	2.1
123.08071	5.1
123.11706	8.6
125.09641	3.5
127.07552	3.3
128.06226	2.5
129.07019	12.1
131.08563	18.1
133.06502	10.3
133.10133	71.8
134.10522	2.7
135.08051	8.3
135.11702	7.1
137.09648	3.4
139.07489	1.7
141.06989	1.6
142.07805	4.4
143.08563	4.5
145.06483	2.1
145.10124	9.2
147.08063	9.2
147.11707	8.0
149.09592	9.7
151.11176	31.4
151.12321	2.8
152.11540	1.8
153.06987	1.7
153.12662	1.5
157.10138	12.2
159.08058	2.7
159.11743	4.3
161.09584	7.6
161.13208	1.6
163.11163	4.6
165.12848	2.3
169.10052	2.6
169.12265	6.2
171.11714	3.2
173.09656	2.7
173.13304	1.4
175.11198	10.0
177.09154	2.1
177.12700	2.9
179.10686	3.4
181.12315	2.0
184.07336	2.2
185.13268	2.1
186.95584	1.4
189.12737	1.7
193.12241	23.4
199.11160	1.8
205.12277	2.8
211.13216	2.1
215.12740	2.2
227.12778	4.3
229.14322	3.5
245.18979	4.0
249.14850	3.0
251.12761	2.3
253.14348	100.0
254.14743	4.9
255.17393	2.3
263.20032	3.8
267.15915	78.7
268.16205	4.8
273.18460	21.3
281.36826	1.5
283.15414	5.3
287.20020	8.2
291.19598	20.5
309.20660	2.1
313.21692	1.6
347.22266	7.5
365.23248	31.9
366.23608	4.1
383.34283	1.6
389.23346	3.5
403.25092	1.8
421.25870	2.2
437.25314	3.7
445.25894	20.8
447.28845	3.1
463.26886	26.6
464.27533	3.5
465.29947	3.9
483.31241	3.7
539.33710	16.0
540.33899	2.0
557.34753	81.2
558.35181	12.8
575.35406	4.7
607.34033	1.6
786.59174	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.2
57.07077	2.9
58.06601	0.2
60.70743	0.2
64.25193	0.2
67.05501	1.0
69.07057	0.4
69.92710	0.2
69.93045	0.8
70.06595	6.2
71.04976	0.2
71.08638	1.8
79.05503	0.9
81.03406	0.5
81.07055	1.0
83.04967	0.4
83.08598	0.3
85.10174	0.7
88.07632	8.8
91.05473	1.0
93.07039	0.7
95.04946	0.4
95.08604	0.4
97.10197	0.3
99.23656	0.2
102.09186	3.2
105.07005	0.2
106.08670	5.4
107.04996	0.3
107.08560	0.5
109.06457	0.2
109.10151	0.5
117.07030	0.4
119.08543	0.4
121.10148	0.3
131.08589	0.2
133.10081	0.3
157.10123	0.2
181.51106	0.2
209.11275	0.2
212.23805	0.8
230.24802	0.7
233.75290	0.2
256.26373	4.4
274.27396	100.0
275.27753	4.7
291.19556	0.3
389.43994	0.2
474.79822	0.3
481.50537	0.2
557.34253	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06798	0.2
57.07077	3.7
58.06603	0.2
62.06098	0.3
63.32056	0.1
65.83762	0.1
67.05497	0.2
68.05043	0.1
69.07482	0.1
69.11739	1.1
70.06593	6.4
71.08282	0.2
71.08632	1.9
81.07047	0.1
82.09971	0.1
85.10179	0.7
88.07632	9.5
91.05502	0.2
96.20849	0.1
102.09182	2.8
105.07077	0.1
106.08667	5.4
131.08627	0.2
150.04398	0.1
157.32962	0.1
166.51390	0.1
169.48956	0.1
212.23738	0.3
230.24826	0.5
256.26358	4.0
257.26678	0.2
274.27396	100.0
275.27737	5.8
275.30780	0.2
276.28299	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	6.1
57.03435	0.3
57.07076	3.8
57.70280	0.2
58.06600	3.6
60.04523	1.1
67.05500	1.2
68.05032	0.3
69.07068	0.6
69.14268	1.1
69.14689	1.1
70.06590	0.5
71.08634	1.9
74.05665	0.4
74.06080	6.0
79.05494	1.0
81.03414	1.0
81.07058	1.3
83.04984	0.4
83.08623	0.7
85.10191	1.0
86.06057	1.1
88.07630	19.8
89.07965	0.3
91.05476	1.3
91.13448	0.2
93.07038	1.1
95.04961	0.5
95.08602	0.5
96.93188	0.2
97.06553	0.3
97.10166	0.4
100.47433	0.2
104.07128	0.6
105.07013	0.8
106.08594	0.3
107.04967	0.5
107.08597	0.4
109.06555	0.3
109.10204	0.4
117.06989	0.4
118.08660	4.1
119.08579	0.8
122.08131	4.9
123.08026	0.3
125.09602	0.3
129.06984	0.5
131.08563	0.8
133.10136	0.4
135.11699	0.3
143.08551	0.8
145.10129	0.8
147.08020	0.3
163.11108	0.3
175.11218	0.2
184.07289	0.3
191.18878	0.2
193.12259	0.3
210.22264	0.3
212.23749	0.4
228.23257	0.3
242.24779	28.3
243.25134	1.0
267.15887	1.0
272.25867	1.2
273.18491	0.8
274.27414	3.3
275.27875	0.5
290.26883	100.0
291.27213	4.7
301.16406	0.4
347.22034	0.4
444.24496	0.3
539.33594	1.3
557.34747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	13.1
57.07073	42.9
65.03915	5.5
67.05499	39.8
69.03423	7.2
69.07071	17.6
71.04972	2.9
71.08633	28.5
72.09296	2.3
73.02876	3.1
79.05492	29.1
81.03409	9.6
81.07053	49.0
83.04977	10.3
83.08620	15.7
85.02907	5.0
85.10177	14.2
86.09693	10.6
91.05474	18.8
92.03347	2.6
93.07041	35.2
95.04953	9.6
95.08600	34.2
95.73549	2.8
97.02869	4.5
97.06510	7.9
97.10157	7.3
97.24239	2.4
98.22762	11.9
99.08083	7.1
101.48064	2.4
105.07010	12.4
107.04955	3.7
107.08598	19.9
109.06476	2.8
109.10157	13.4
111.08076	4.6
117.07007	6.6
119.08556	8.4
121.06536	3.3
121.10125	11.3
123.08079	3.4
123.11710	6.5
125.00004	9.7
127.03962	3.1
128.11388	2.9
129.06929	4.8
129.09160	2.4
131.08525	6.3
133.10141	10.7
135.11665	6.5
139.11064	3.0
145.04805	3.1
149.13280	13.5
151.11177	10.3
158.25702	3.0
159.11710	9.7
161.13211	6.1
163.11131	3.8
165.16315	2.9
166.05032	2.5
171.11610	3.1
184.07324	29.5
195.13724	4.4
227.12753	3.9
228.91466	2.6
257.24506	3.0
269.17502	38.9
277.21613	8.2
313.27335	63.0
314.27628	5.4
351.25305	15.0
507.40433	100.0
508.40176	12.6
589.47852	11.2
744.60956	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	16.6
57.07069	2.1
60.08162	5.5
61.37985	1.7
65.03922	3.9
67.05505	66.3
68.05849	2.3
69.03453	1.6
69.07063	10.1
71.04967	3.7
71.07372	4.1
71.08630	2.4
79.05061	3.5
79.05492	36.8
81.03423	3.4
81.07056	51.2
83.04968	3.8
83.08613	7.0
85.06534	7.6
85.34873	1.8
85.57767	1.5
86.09708	29.4
87.10049	3.6
89.06044	2.1
91.05480	27.2
92.05811	1.8
92.74888	1.5
93.07044	31.6
95.04972	41.1
95.08605	27.3
97.06540	5.9
97.10165	4.6
98.22785	7.3
98.98458	4.5
104.10709	1.8
105.07025	23.7
106.38683	1.7
107.04955	7.9
107.08595	18.1
107.68496	1.8
109.06516	38.7
109.10139	10.6
111.08057	2.8
113.05991	15.5
117.07027	11.5
119.08577	14.0
121.06480	5.5
121.10126	8.5
122.11252	1.6
123.08054	1.8
123.11721	4.6
124.99989	19.9
128.06223	2.7
129.06998	5.2
131.08577	13.7
133.06511	2.8
133.10146	7.9
134.10413	1.6
135.08054	26.1
135.11723	7.9
137.09570	2.1
143.08578	6.2
144.80148	1.6
145.10143	9.2
147.08057	4.1
147.11708	4.8
149.09645	4.5
149.13248	2.3
157.10150	4.4
159.11681	5.9
161.09689	6.4
161.13321	2.7
163.11217	2.8
169.10138	1.8
171.11728	3.3
173.09608	2.4
173.13283	2.9
175.11188	2.6
177.12749	2.6
183.11778	2.0
184.07347	100.0
185.07686	10.8
199.14780	3.4
201.12639	2.0
201.16399	1.8
202.08331	1.6
217.15878	8.1
220.17131	1.7
227.18060	2.1
273.18494	22.2
291.19528	55.2
292.19815	3.5
331.59003	1.7
335.25790	52.6
336.26193	3.8
347.22098	5.0
365.23288	9.7
444.45264	1.6
464.31210	2.1
492.37622	2.2
545.37854	1.8
547.24866	1.9
561.37238	3.8
579.37659	5.6
607.43646	7.7
614.48547	3.4
625.44604	32.4
626.44983	5.7
653.77264	1.8
655.41046	5.1
679.67889	2.0
687.78308	1.8
768.57214	1.8
805.44763	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	31.1
57.07075	5.9
58.60066	2.5
59.04994	3.7
60.71038	2.5
61.02929	6.5
65.03940	6.1
67.05508	100.0
69.03422	16.2
69.07074	51.6
70.06578	2.5
70.75775	2.4
71.01347	7.2
71.04996	20.2
73.02927	7.1
76.65901	2.4
79.05063	5.6
79.05496	84.1
81.03418	77.1
81.06581	4.9
81.07059	85.5
83.04976	31.3
83.08623	27.3
85.02910	28.8
85.06528	5.3
91.05483	90.5
93.07044	66.7
95.04973	49.0
95.08610	40.4
97.02880	14.9
97.06527	47.9
97.10164	19.3
99.04524	3.3
99.08076	4.3
105.04500	2.9
105.07034	55.0
107.04960	19.4
107.08598	31.4
109.02915	3.9
109.06523	21.7
109.10140	29.7
111.04446	8.1
111.08082	21.0
113.06012	5.3
115.05428	3.2
115.07571	15.5
116.04684	5.8
117.07017	21.6
119.08578	42.8
121.06549	13.5
121.10154	25.4
123.08044	15.0
123.11761	3.7
125.09652	15.0
127.03924	3.5
127.07497	2.4
129.05504	15.8
129.07019	20.4
131.08572	28.1
133.06506	6.2
133.10114	30.8
135.08080	9.9
135.11697	10.6
137.09627	8.6
139.07556	5.6
141.06958	2.8
142.07735	3.5
143.07014	3.5
143.08546	5.3
145.10132	15.7
147.08084	10.9
147.11664	18.4
149.09637	10.6
149.13226	7.8
151.11169	4.7
153.09122	3.2
153.12662	3.1
155.08525	3.5
157.08783	4.6
157.10144	19.1
159.11723	10.3
161.09627	10.0
163.11139	12.8
165.12679	4.6
171.11673	3.1
173.09674	5.6
173.11786	7.5
173.13272	2.7
175.11223	18.5
177.12735	4.0
180.16077	2.4
181.12328	4.8
189.11221	11.3
191.10651	4.1
191.61006	2.4
193.12245	51.1
194.13034	2.7
195.11710	3.0
195.13774	3.7
199.13222	3.6
205.12254	3.3
211.13295	56.7
211.15169	3.8
212.13438	3.1
217.15880	4.5
227.12729	15.6
228.84941	3.6
229.14398	14.3
243.15834	3.2
249.14864	3.9
253.14407	3.4
255.17560	3.6
267.15973	23.1
268.16623	5.0
269.17462	9.1
273.18530	18.8
274.27359	28.6
275.19922	6.2
275.27820	7.2
283.15335	4.1
285.16998	34.5
289.18027	3.3
291.19495	22.9
292.19693	2.8
301.16403	18.1
307.19199	2.7
347.22141	5.3
365.23267	14.4
383.24149	6.8
421.26007	4.4
439.26953	22.6
440.26956	3.0
460.27985	2.6
461.28976	6.8
479.30069	21.0
541.35748	3.2
557.34644	4.9
559.36707	5.4
573.34186	2.9
575.35400	3.2
591.35040	12.3
609.36182	9.6
623.33765	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	25.5
57.07075	6.5
59.05007	3.0
61.02924	7.0
64.90674	1.4
65.03950	3.7
67.05505	100.0
69.03429	11.3
69.07069	48.3
70.00612	6.2
71.01357	3.6
71.04992	7.5
73.02914	6.0
79.05495	62.9
80.05859	1.8
81.03419	35.5
81.07056	66.4
82.04211	6.5
82.07408	2.1
83.04983	20.5
83.08611	20.1
83.62605	1.5
85.02901	12.0
85.06541	4.4
91.03979	2.3
91.05479	61.4
92.05807	1.8
93.07044	55.6
95.04967	30.4
95.08610	39.5
97.02888	7.3
97.06535	19.9
97.10176	16.3
98.07330	5.5
99.04446	2.2
103.05431	1.9
105.04552	2.4
105.06374	3.3
105.07034	48.2
107.04955	16.8
107.08591	32.6
109.06522	8.7
109.10157	34.6
111.04465	2.7
111.08090	7.9
113.06032	2.2
113.09677	3.1
115.05457	2.2
116.04730	9.3
117.07047	15.0
118.56640	1.4
119.08579	29.7
121.06512	6.3
121.10124	15.5
123.08083	12.3
123.11742	3.4
125.09624	15.5
127.03978	2.7
129.05499	20.1
129.06969	11.2
130.07832	2.2
131.08582	21.9
133.06487	3.4
133.10127	25.6
135.08086	7.5
135.11694	9.6
137.09596	8.1
141.06972	2.9
143.07056	4.7
143.08575	5.1
145.10121	15.9
147.08066	3.6
147.11691	13.8
149.09628	17.9
149.13281	3.3
151.11127	3.5
155.08585	2.1
155.10707	4.1
157.08755	12.1
157.10146	10.9
159.08124	1.9
159.11693	8.9
161.09587	2.5
161.13274	4.1
163.11188	12.0
165.09238	2.2
169.10164	1.9
171.06575	2.0
171.10168	5.1
171.11676	3.9
173.11766	9.1
173.13275	4.0
175.11189	7.9
177.12724	2.1
179.14310	4.0
183.11723	2.7
184.07364	5.0
184.13257	1.6
185.13347	1.9
187.14870	3.3
189.11278	7.2
189.12775	2.4
191.10620	2.0
193.12178	9.9
195.13789	1.8
197.13101	1.7
199.09549	1.9
199.11493	1.6
199.13312	5.9
200.14069	1.8
201.12805	1.7
209.11714	3.8
211.13318	8.7
223.13255	3.0
227.12733	13.0
229.14288	14.4
229.19456	1.6
247.20482	2.1
253.14383	5.7
255.15939	2.4
257.19049	4.3
267.15900	12.9
269.17252	1.7
273.18518	4.4
275.20093	27.1
283.15399	2.9
285.16922	7.1
291.19452	8.1
293.21188	3.4
301.16495	37.5
302.16788	2.2
325.20480	1.6
349.23761	22.0
350.24078	2.4
365.23401	3.3
397.22006	3.4
434.71832	1.6
439.26932	3.8
455.26382	3.7
474.33206	2.1
479.30002	5.2
510.08673	1.6
532.36847	1.5
541.35187	2.8
559.36304	4.4
575.35864	15.6
576.36121	3.3
593.36975	2.0
807.44489	2.8
813.80139	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03191	2.5
57.03442	27.7
57.07078	3.3
59.04984	3.0
61.02917	5.4
65.03944	3.9
67.05505	100.0
67.65296	1.6
68.05853	1.9
69.03432	10.8
69.07072	18.1
71.01365	3.0
71.05003	8.8
73.02918	3.1
79.05499	51.9
81.03421	89.4
81.07056	57.1
81.07525	3.3
83.04982	24.8
83.08615	31.8
85.02910	41.9
85.06537	6.4
87.04466	4.2
91.03973	2.2
91.05482	58.5
93.07047	28.9
94.04188	1.5
95.04967	31.4
95.08605	22.7
96.00854	1.5
97.02902	9.8
97.06534	11.0
97.10165	18.0
98.22572	4.4
99.08101	1.7
103.03934	1.9
105.07030	30.0
107.04966	12.2
107.08610	20.8
109.06541	8.2
109.10153	63.1
111.04429	4.9
111.07433	1.9
111.08091	15.2
113.06003	3.6
115.05437	3.4
117.07029	5.4
117.42268	1.5
119.08584	32.3
121.06536	2.7
121.10130	15.1
123.08075	5.8
123.11694	2.3
125.06028	1.8
125.09624	14.6
125.33959	1.6
128.06255	1.8
129.05470	4.0
129.06992	12.3
131.08560	17.6
133.06516	3.1
133.10139	18.2
135.11684	3.5
137.09624	5.4
142.07790	4.4
143.10612	2.2
145.10138	6.2
147.08047	4.9
147.11696	17.9
149.09634	7.0
153.12769	3.5
153.21227	1.5
155.10670	4.0
157.10150	16.2
163.11218	11.0
165.12837	2.6
173.09564	3.2
173.11751	18.5
175.11182	16.2
181.12250	2.7
191.10698	4.1
193.12242	65.0
194.12550	1.9
199.13306	7.5
209.11693	7.5
211.11249	4.1
211.13286	82.3
212.13647	4.0
217.14302	2.1
227.12843	7.6
229.14349	41.3
229.88161	2.1
230.14682	2.1
267.15955	27.0
268.16183	1.8
275.09641	1.4
283.15460	7.2
285.16962	54.0
286.17252	1.6
301.16522	7.9
366.94565	1.5
399.23770	15.6
409.25705	3.2
421.25882	9.7
427.26898	2.6
439.26996	34.3
440.27069	1.8
493.27490	2.3
511.29178	7.8
609.36353	30.8
610.36505	2.4
807.40759	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	20.6
59.04993	5.1
59.65682	1.8
61.02929	3.4
62.40699	1.9
65.03937	4.0
67.05504	84.9
68.05814	2.9
69.03416	7.5
69.07066	26.3
69.31571	12.6
70.07332	1.8
71.04993	11.9
73.02925	2.3
79.05492	74.7
80.05851	3.0
81.03419	100.0
81.06578	3.8
81.07055	72.6
82.03761	1.9
82.07355	2.0
83.04977	14.3
83.08205	2.4
83.08627	25.5
85.02905	10.4
85.06535	4.4
87.04469	4.4
91.05480	82.2
92.05756	2.3
93.07043	69.3
94.07377	2.0
95.04970	35.2
95.08607	37.9
97.02887	7.1
97.06544	14.2
97.10190	16.5
99.08107	4.7
105.04506	3.3
105.07028	63.2
106.07359	2.8
107.04937	11.3
107.08595	39.3
109.02891	2.1
109.06516	9.9
109.10152	29.2
110.10477	1.9
111.04482	3.1
111.08070	11.5
113.06122	1.8
113.09662	1.8
115.05441	4.8
117.07014	27.5
119.08578	49.2
121.06488	9.6
121.10140	31.9
122.10478	1.9
123.04393	2.3
123.08081	6.2
123.11691	5.6
125.09621	13.5
128.06221	6.2
129.05493	2.6
129.07008	20.0
131.08571	34.0
132.08902	2.1
133.06500	6.1
133.10123	35.5
134.10480	2.4
135.08055	6.6
135.11694	14.3
137.09599	7.3
141.07022	4.3
142.07779	3.8
143.08533	13.0
145.06458	3.7
145.10123	27.1
147.08041	6.5
147.11678	25.7
149.09583	14.3
149.13266	5.0
151.11172	4.1
155.08600	8.9
157.10103	19.8
159.11679	16.1
161.09625	2.9
161.13222	8.7
163.11188	8.5
165.09123	2.0
167.08461	2.3
167.10617	2.1
169.10124	5.1
171.08037	3.0
171.10324	2.2
171.11676	9.6
173.09613	2.2
173.11757	6.3
173.13268	5.8
175.11205	9.4
177.12737	3.6
179.10698	2.0
181.12309	2.7
183.11691	6.4
184.07283	2.0
185.13268	7.7
187.14812	4.9
189.11229	7.2
189.12738	3.4
193.12230	25.3
193.13789	2.6
195.11665	3.3
197.13303	5.5
197.15361	2.5
199.13208	2.9
199.14873	4.4
201.12769	3.5
203.14284	2.7
211.13226	13.4
211.14862	1.8
227.12711	10.7
229.14243	14.6
231.17603	2.2
235.16829	2.0
237.16434	2.2
241.19402	2.2
249.14882	3.8
253.14311	4.4
257.19098	3.5
259.20508	10.5
267.15915	53.0
268.16281	3.2
269.17459	8.9
274.18799	2.5
275.20056	11.8
285.16949	5.8
291.19592	2.3
293.21094	8.8
299.23831	3.6
315.23260	2.4
333.24387	8.7
349.23752	5.6
351.22998	1.9
365.24350	2.2
367.24301	2.5
369.24326	5.6
387.24997	2.4
399.19238	3.7
403.25067	2.3
405.26624	2.0
421.25766	6.1
433.31067	4.6
435.27133	3.4
439.26816	2.7
443.27765	4.9
451.32190	4.9
461.28864	19.0
469.33640	2.5
475.30853	2.1
493.31125	2.8
507.34625	3.0
525.35724	22.4
526.35852	3.1
541.34882	9.2
543.36804	39.4
544.36981	5.4
557.38037	3.0
559.36157	9.5
575.39337	5.1
609.31763	5.0
807.41107	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	22.5
57.07082	1.7
61.02922	3.1
65.03944	4.2
67.05504	69.4
69.03436	9.7
69.07068	29.6
69.59640	7.6
71.01356	2.0
71.04989	9.7
73.02908	2.6
79.05492	54.8
80.05857	1.4
81.03416	94.0
81.07055	71.5
82.07389	2.7
83.04981	14.3
83.08619	30.4
85.02908	6.1
85.06542	3.3
85.84641	1.3
87.04493	1.7
91.05476	51.5
93.07040	51.2
95.04964	36.0
95.08605	25.5
97.02884	5.4
97.06528	14.5
97.10166	14.2
99.04494	1.4
99.08120	3.3
103.05503	2.0
103.87569	1.4
105.07026	40.0
106.07337	1.5
107.04941	13.1
107.08596	34.2
109.06512	10.1
109.10148	19.1
111.04430	3.1
111.08091	11.0
115.05457	2.9
117.07015	16.6
119.08574	31.2
121.06504	5.9
121.10134	20.2
123.08067	6.2
123.11714	4.7
123.42944	1.3
125.00088	1.3
125.09647	9.3
127.03864	1.7
129.05498	4.2
129.07008	18.3
131.08566	26.0
133.06511	6.2
133.10133	25.9
135.08025	6.9
135.11679	10.2
137.09639	6.3
137.20650	1.4
139.11180	2.6
141.07005	2.4
142.07784	2.3
143.08598	7.0
145.06467	3.0
145.10133	11.4
147.08064	6.2
147.11703	13.3
149.09616	12.9
149.13251	10.0
151.11206	3.2
155.08563	4.3
156.09431	1.4
157.10126	18.6
158.05644	1.3
159.11685	8.8
161.09625	2.5
161.13234	2.5
163.11205	9.6
165.12784	2.2
169.10071	4.2
171.10252	2.5
171.11572	3.5
173.09703	1.5
173.11835	1.8
173.13297	3.2
175.11237	12.0
177.12755	5.3
179.14259	1.7
181.10139	1.6
183.11685	1.9
184.07401	5.0
187.11272	3.0
189.11223	5.2
193.12219	23.4
194.12556	1.8
195.13815	4.8
197.13284	2.3
199.13173	2.6
199.14897	2.5
205.12250	2.0
209.11713	2.3
211.13263	7.7
217.15807	1.5
223.13214	1.6
227.12796	6.4
229.14325	4.0
239.18118	2.1
249.14876	2.4
253.14075	1.8
255.15887	10.7
257.19107	3.7
260.81464	1.5
267.15900	83.7
268.16330	5.0
269.17456	28.1
273.18497	2.5
275.20053	15.2
283.15366	1.9
285.16953	3.6
291.19638	3.6
293.21133	2.8
301.16537	5.5
349.23685	13.9
351.23120	2.9
367.24689	5.7
369.24142	5.4
387.25327	2.7
417.26611	2.1
421.25729	2.9
439.26807	2.3
443.27954	9.6
447.27472	16.5
448.27835	1.9
449.30185	2.1
461.28961	100.0
462.29391	10.3
467.31311	2.1
479.30460	1.8
493.31900	10.1
501.31454	2.0
503.29562	1.7
523.34143	3.1
541.35291	22.2
542.35443	3.4
559.36017	12.4
560.36786	3.0
572.60046	1.5
605.33160	1.6
648.29285	1.6
807.41010	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.541
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95147	3.1
57.03431	11.8
63.40036	3.4
67.05502	50.7
69.07078	17.4
71.31639	5.2
72.26347	3.3
79.05499	44.7
81.07057	66.2
83.04953	3.7
83.08608	6.5
86.09707	15.7
91.05478	35.8
93.07040	48.8
94.04102	3.2
95.01321	3.7
95.04963	5.9
95.08606	39.9
97.06531	7.8
97.10143	3.1
105.07031	34.0
107.04961	7.9
107.08599	19.4
109.06522	13.3
109.10158	13.6
117.07008	10.3
119.08582	30.4
121.06514	6.6
121.10138	17.3
123.11681	6.5
124.99990	10.2
129.06909	3.1
131.08568	16.7
133.10103	24.0
135.11705	9.0
140.21129	3.0
145.10124	15.9
147.11661	11.1
149.09612	4.7
149.13257	4.8
159.11649	5.8
161.13162	4.5
179.14246	3.7
183.65971	3.6
184.07329	57.2
185.07893	3.3
219.17453	46.7
229.19505	5.3
275.20084	32.5
306.28073	4.4
335.25827	73.2
345.88318	3.5
349.23727	19.3
364.19431	3.2
609.45123	100.0
610.45197	10.9
626.44897	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.9
57.03429	0.1
58.06622	0.4
60.08165	6.5
67.05504	0.6
69.07066	0.2
71.07373	4.2
71.30238	0.2
79.05492	0.3
81.07059	0.4
83.04976	0.2
83.08640	0.2
86.09706	33.9
87.09534	0.2
87.10013	0.8
91.05479	0.5
93.07050	0.4
95.04987	0.2
95.08597	0.3
98.98468	4.1
104.10742	3.0
105.07037	0.3
107.08572	0.4
109.06529	0.2
109.10155	0.3
111.12889	0.1
119.08571	0.4
121.06431	0.2
121.10173	0.3
123.11662	0.1
125.00005	22.8
126.00354	0.2
131.08572	0.3
143.01068	0.3
145.10155	0.3
150.43700	0.1
161.87614	0.1
179.01704	0.1
184.07344	100.0
185.07724	1.9
192.09105	0.1
202.50613	0.2
213.48457	0.1
335.25882	0.2
461.83762	0.1
650.43567	0.4
690.46747	1.1
741.69263	0.2
752.51978	0.2
770.53638	0.7
788.54456	0.8
806.41943	0.2
806.55359	1.2
807.41986	0.5
807.55536	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04696	0.1
67.05486	0.2
68.19168	0.1
69.03418	0.1
74.59792	0.1
77.03901	0.1
78.04704	1.4
79.05495	0.9
81.03405	0.4
83.04964	0.1
84.48408	0.1
85.02901	0.7
88.87791	0.1
91.05487	0.6
93.07030	0.3
95.04958	0.4
96.05746	0.1
97.02880	0.3
98.22555	0.2
103.05434	0.3
105.03414	0.2
105.04515	0.2
105.07026	0.8
106.04162	1.0
107.04952	1.4
109.02869	0.1
115.05428	0.3
116.94039	0.1
117.07011	0.4
121.06484	0.6
122.03687	0.1
123.04422	3.8
124.05225	1.5
127.03907	0.2
129.07051	0.2
131.08636	0.1
133.06485	0.6
134.03625	0.3
135.04433	0.2
137.05960	0.5
141.06969	0.1
144.06622	0.1
145.06468	0.7
149.05968	0.8
151.03899	0.7
151.07497	0.1
152.04691	1.2
152.05789	0.2
155.05988	0.1
156.05667	0.1
159.08089	0.2
161.06003	0.7
162.07597	0.1
166.06158	0.2
167.07028	100.0
168.07365	3.3
173.05949	1.3
175.07315	0.1
179.07037	0.4
180.08722	0.2
181.08565	0.8
187.07504	0.3
190.06265	0.7
193.08591	4.1
203.06995	0.1
204.70210	0.1
205.08595	2.1
211.09647	8.2
212.10007	0.5
217.08621	0.9
219.08098	0.1
219.10187	0.4
223.09593	0.2
235.09651	0.6
242.94540	0.1
247.09671	0.3
263.10666	0.1
265.10770	0.8
278.81165	0.1
307.09860	0.1
315.08426	0.2
323.12787	0.1
330.10843	0.3
331.11835	0.2
351.12363	0.2
371.14832	0.1
381.04443	0.1
383.14890	0.8
401.15985	1.0
439.17865	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	22.7
57.07084	3.1
59.05003	3.3
61.02927	2.6
65.03948	4.1
65.81572	1.9
67.05506	100.0
68.05873	3.5
69.01223	1.9
69.03438	7.3
69.07068	45.1
69.07419	3.8
71.00792	2.0
71.04992	8.1
71.30921	3.5
73.02949	2.9
79.05495	64.7
81.03419	62.8
81.07056	75.8
81.07523	4.0
82.03767	2.5
83.04971	20.1
83.08621	30.1
85.02903	24.4
85.06528	5.8
86.09737	3.2
91.05477	79.0
92.05814	2.1
93.07048	56.1
93.99302	2.3
95.04963	32.8
95.08604	45.0
97.02914	7.5
97.06516	18.0
97.10171	14.3
99.08109	5.2
103.03939	3.6
105.04535	2.2
105.07026	53.4
106.07374	2.7
106.98792	2.1
107.04960	17.6
107.08595	29.5
109.02881	2.6
109.06521	12.7
109.10152	39.1
111.04422	2.9
111.08095	10.3
113.06023	3.4
116.04684	2.7
117.06989	14.3
119.08587	35.6
120.08903	2.4
121.06535	6.9
121.10143	19.6
123.08077	8.9
123.11711	6.6
125.00004	2.9
125.09628	12.4
127.03952	4.0
129.05504	12.2
129.07024	12.9
131.08571	26.2
133.06520	4.5
133.10138	23.4
135.08067	8.1
135.11693	9.3
137.09621	16.3
139.11168	5.0
142.07745	2.8
143.07098	2.7
143.08563	7.2
145.06601	3.3
145.10126	14.7
147.08044	6.1
147.11696	18.1
149.09612	19.8
149.13303	7.8
151.11176	3.1
157.08810	4.0
157.10141	17.6
159.11739	8.9
161.09674	4.5
161.13269	2.9
163.11163	12.9
165.12799	3.8
169.10190	2.8
171.10175	2.9
171.11693	4.5
173.11755	15.0
173.13187	4.8
175.11250	14.3
177.12753	3.4
179.14319	2.8
183.11829	2.9
184.07323	11.7
189.11224	6.9
193.12248	38.9
199.13374	4.2
211.13283	42.0
211.15143	2.9
212.13567	2.2
227.12808	12.4
229.14310	18.1
230.14894	2.3
249.15100	2.4
257.19058	4.0
267.15884	27.2
268.16199	2.8
269.17532	13.5
273.18585	7.6
275.20084	24.0
283.15366	5.1
285.16913	32.1
291.19525	7.5
293.21149	4.9
301.16483	16.8
336.63934	2.2
347.21582	2.2
349.23734	22.5
365.23050	4.2
367.24927	5.7
381.22708	2.6
383.24060	4.4
421.25903	7.5
439.26920	26.7
440.27289	3.4
455.26563	5.8
461.28888	5.3
477.28372	7.7
479.30170	14.8
495.29538	8.2
541.35254	10.0
557.34503	6.4
559.36139	22.1
575.35767	15.0
576.35272	2.9
577.37512	4.1
583.30579	3.2
593.36420	8.0
601.25586	5.5
808.36078	2.7
809.37970	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	25.4
67.05505	100.0
69.07056	17.9
70.20239	49.8
78.16430	13.7
79.05490	73.3
81.07072	93.8
86.09702	35.4
91.05476	69.5
93.07056	88.2
95.08614	83.0
105.07050	79.7
107.08601	57.9
109.10171	28.1
112.60051	14.6
117.07066	17.1
119.08592	71.6
121.10134	43.3
127.43547	15.0
129.07030	13.9
131.08560	36.8
133.10150	46.9
135.11732	30.5
137.68867	14.7
145.10146	23.7
147.11716	37.2
159.11691	18.3
161.13376	17.5
171.11617	17.1
173.13409	19.1
184.07350	71.2
201.16389	17.3
259.20636	51.2
287.82544	16.1
307.93216	14.0
311.25757	17.9
333.24164	28.5
335.25861	50.0
409.23529	15.8
433.48154	17.3
611.46265	48.6
713.43188	16.0
749.43402	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03172	2.4
57.03438	28.5
57.07076	3.5
65.03941	6.4
65.12125	2.2
67.05509	96.3
69.00288	14.7
69.00708	8.2
69.03436	2.3
69.07076	27.1
71.05002	5.1
71.08607	3.4
79.05496	75.0
81.03417	3.0
81.07058	100.0
83.04948	5.5
83.08624	12.7
85.02893	4.3
85.06543	5.4
91.03982	3.1
91.05485	60.9
93.07050	83.3
94.07372	2.8
95.04963	7.8
95.08611	75.6
97.02887	4.3
97.06516	6.6
97.10181	6.5
98.23200	9.4
99.08111	2.9
103.54937	2.0
105.07029	50.3
107.08598	53.9
108.08856	2.4
109.06517	3.8
109.10161	32.5
111.08090	4.1
117.07025	20.5
119.08579	38.4
121.10146	37.6
123.08036	2.3
123.11687	7.9
125.09588	2.7
129.07047	5.0
131.08571	27.1
133.10132	35.5
135.08081	2.4
135.11694	27.5
137.09605	5.1
140.69786	2.2
143.08551	4.6
145.10144	20.2
147.11684	27.7
149.09671	2.6
149.13258	13.4
157.10115	6.2
159.11690	16.9
161.13268	16.0
163.14842	3.4
169.10080	3.2
171.11687	8.1
173.13184	12.7
175.14827	6.2
177.12837	2.4
179.14368	3.3
184.07278	2.9
185.13261	6.4
186.49065	2.6
187.14799	10.3
199.14803	5.4
213.16527	2.1
241.19507	9.2
245.18956	2.9
259.20587	21.9
261.22116	8.0
277.21661	16.0
333.24103	13.8
335.25818	92.5
336.26181	6.0
351.25278	30.2
416.60172	2.2
611.46698	33.5
612.46783	4.4
808.52563	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5696
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06364	0.3
58.06624	0.6
60.08166	5.7
67.05512	0.2
70.06585	0.6
71.07375	3.0
71.08629	0.2
81.04240	0.2
81.07066	0.4
86.09707	27.7
87.10044	0.5
88.35423	0.2
98.98473	2.9
104.10751	2.6
107.08629	0.2
119.08551	0.2
125.00008	17.7
139.20642	0.2
143.01082	0.3
149.19200	0.2
165.61504	0.2
184.07346	100.0
185.07724	1.6
336.77359	0.2
429.04108	0.2
452.05511	0.2
496.33646	0.2
650.43793	0.9
690.47034	1.5
691.46851	0.3
754.53558	0.3
772.54944	1.0
773.55188	0.2
790.55597	1.2
808.57111	1.6
809.57129	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.7
57.09610	0.4
58.89061	0.4
59.04999	1.0
61.02928	4.7
62.29730	0.4
67.05505	5.0
69.03434	3.7
69.07085	2.8
71.01369	0.5
71.04996	2.0
71.31241	0.6
73.02914	2.7
79.05488	5.4
81.03419	5.6
81.07068	5.7
83.04990	1.6
83.08626	1.7
85.02911	5.0
85.06551	0.6
86.09740	0.4
87.04480	0.7
91.03942	2.6
91.05479	4.7
93.07036	4.0
95.04964	1.9
95.08614	1.7
97.02877	4.3
97.06567	1.2
97.10186	1.5
99.04462	1.0
101.02384	1.7
103.03955	0.6
105.07047	3.7
107.04967	1.4
107.08587	3.0
109.02873	0.7
109.06496	0.7
109.10199	1.7
111.04397	0.6
111.08073	0.9
112.75736	0.4
117.07066	0.7
119.08597	2.9
121.10162	1.8
123.08054	0.5
125.09661	1.1
127.03917	1.5
129.06998	1.2
131.08589	2.0
133.06474	0.5
133.10129	2.2
135.11743	0.8
137.09705	0.5
142.07860	0.6
145.10133	0.6
147.08104	0.6
147.11739	1.3
149.09685	1.4
157.10175	1.6
163.11171	0.9
175.11226	1.1
184.07323	2.6
193.12189	2.1
211.13351	1.2
223.13239	0.8
225.14894	0.4
243.08412	3.7
263.81662	0.4
267.16010	1.1
273.18701	0.5
283.15070	2.5
285.16977	0.8
291.19608	1.2
331.19031	1.5
339.17615	0.7
367.49811	0.4
395.16360	0.4
469.20508	0.8
501.23056	14.1
502.23523	1.3
528.95654	0.5
549.26648	6.2
550.27411	0.5
639.29913	1.3
665.30859	0.9
701.03857	0.5
791.43433	0.5
801.38037	0.6
809.42902	100.0
810.43243	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.6
59.05019	2.3
61.02910	3.8
61.36651	1.9
67.05506	19.0
69.03435	17.4
69.04771	15.9
69.07076	8.1
71.05000	6.6
73.02924	9.1
79.05519	10.1
81.03422	30.9
81.07053	21.6
82.89066	1.9
83.04985	5.3
83.08613	3.3
85.02905	82.7
85.06567	2.0
86.09705	8.2
91.05462	11.9
93.07056	21.4
95.04970	8.6
95.08613	34.3
97.02892	36.0
97.06522	4.3
99.04454	57.4
99.05103	3.2
103.03949	100.0
103.04643	5.1
105.07028	17.7
105.58028	1.9
106.07355	2.4
107.04951	2.5
107.08600	22.7
109.02890	24.3
109.10161	13.1
111.08101	5.9
117.07052	4.6
119.08575	24.8
121.10146	18.9
123.04395	2.3
123.08098	9.1
123.11714	5.9
125.00015	4.0
125.09624	2.2
127.03923	99.9
128.04306	3.1
129.05499	2.1
131.08560	11.5
133.10127	17.8
135.08014	4.0
135.11696	10.3
139.07585	3.5
141.09146	4.0
143.08551	5.1
145.04961	54.5
145.10091	11.1
147.08017	4.0
147.11687	10.5
149.13283	4.3
155.08519	2.9
157.10161	8.7
159.11658	11.0
161.09628	4.5
161.13237	11.8
163.06038	46.8
163.07364	4.5
163.11188	3.0
169.05057	2.5
169.10069	4.4
171.11713	3.2
173.13292	11.8
175.11293	4.7
175.14835	5.0
177.09253	2.1
184.07367	19.5
185.13367	2.9
187.06033	7.7
187.14923	5.0
189.16338	3.0
193.12111	4.3
197.13445	3.4
201.12791	3.2
205.07079	6.3
205.12189	2.1
211.13205	2.6
213.12675	4.0
215.14349	5.1
217.15936	2.7
221.15419	7.0
227.18025	2.7
230.42778	2.6
233.15361	10.0
235.16971	9.6
247.16939	6.9
267.15750	2.7
271.08151	7.5
287.87430	2.1
289.09232	4.5
289.21689	3.0
301.09479	2.4
301.21564	3.0
307.10263	9.3
327.23126	2.4
341.24869	3.3
353.25137	2.6
383.29550	2.1
423.32632	3.8
433.31219	11.7
443.31219	5.2
451.32083	14.5
469.20300	3.2
469.33356	25.1
470.33105	3.6
487.34253	3.5
577.35614	3.0
595.36053	3.7
613.36658	2.9
617.35876	2.3
703.38391	2.5
713.32129	2.2
721.38507	5.5
739.40070	2.5
810.40454	13.4
811.39099	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06627	0.4
59.07390	0.1
60.08165	6.9
61.08499	0.1
65.10022	0.1
69.07066	0.2
71.07378	4.2
79.05489	0.2
81.07051	0.2
83.04993	0.2
86.09705	34.7
87.09454	0.1
87.10056	0.6
91.05498	0.3
93.07041	0.2
98.23347	0.4
98.98466	4.6
104.10746	3.2
105.07035	0.2
116.99513	0.2
119.06042	0.1
125.00004	24.0
126.00361	0.2
129.38675	0.1
131.08565	0.2
143.01050	0.3
166.02655	0.1
184.07343	100.0
185.07698	2.3
333.06454	0.1
516.30969	0.2
539.82263	0.1
584.51831	0.1
707.37726	1.2
792.51697	4.8
793.51245	0.8
810.47272	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5278
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06617	0.5
59.07401	0.1
60.08163	5.9
67.05489	0.4
69.02296	0.8
69.02701	0.2
69.85679	0.1
70.06586	0.2
71.06983	0.2
71.07372	3.9
71.08614	0.1
79.05481	0.3
81.07068	0.2
83.04954	0.2
86.09705	30.8
87.09491	0.2
87.10030	0.7
91.05460	0.3
93.07025	0.3
95.04922	0.1
95.08589	0.3
97.70200	0.1
98.98463	3.7
104.10040	0.2
104.10740	3.2
105.07038	0.2
107.08590	0.2
109.06490	0.1
109.70324	0.1
119.08564	0.2
125.00001	20.3
126.00352	0.2
128.74759	0.1
131.08568	0.1
133.10088	0.1
143.01070	0.2
143.08485	0.1
145.10095	0.1
147.11739	0.1
157.10120	0.1
159.11658	0.1
166.02654	0.1
184.07338	100.0
184.43602	0.1
185.07701	2.7
186.07773	0.5
201.09073	0.1
203.40594	0.1
209.26289	0.1
223.11319	0.1
264.92142	0.1
425.36578	0.1
445.23737	0.7
463.24802	0.1
465.38623	0.1
500.31070	0.1
672.42041	0.1
712.45581	0.1
792.52008	0.3
810.52728	3.3
811.52625	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5276
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37749	0.1
56.77610	0.1
58.06618	0.6
60.08165	6.2
67.05502	0.3
69.07069	0.1
70.06616	0.2
71.06981	0.2
71.07375	4.3
71.30127	0.2
71.30497	0.1
72.07704	0.1
79.05486	0.2
80.97447	0.2
81.07054	0.4
81.92872	0.1
86.09705	32.9
87.10043	0.9
91.05473	0.4
93.07056	0.1
95.08642	0.3
98.98463	4.2
104.10742	3.2
105.07032	0.1
107.08560	0.2
119.08563	0.2
125.00002	22.7
126.00341	0.2
143.01099	0.2
157.59671	0.1
161.73134	0.1
184.07339	100.0
185.07718	3.3
186.07806	0.7
190.90581	0.1
234.74228	0.1
271.53836	0.1
497.83658	0.1
692.82098	0.2
712.44849	0.4
792.52026	0.3
810.52966	1.4
811.53046	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	5.0
57.07063	0.8
61.02928	7.2
64.23755	0.7
64.99233	0.6
67.05499	5.4
69.03426	2.9
69.07079	2.7
69.45195	0.6
71.04999	2.0
71.29366	1.0
73.02908	5.6
75.62651	0.8
79.05493	6.1
81.03403	4.4
81.07073	5.0
83.01087	1.2
83.04971	1.9
83.08624	2.4
85.02903	9.0
86.09702	1.8
91.03948	5.1
91.05486	4.4
93.07059	3.2
95.04981	2.5
95.08601	1.7
97.02899	8.1
97.06532	1.5
97.10176	1.7
99.04439	1.4
101.02393	2.8
103.03959	0.9
105.07040	3.1
106.14613	0.7
107.08607	2.7
109.02848	1.7
109.06514	1.7
109.10156	2.0
115.03963	0.8
117.05479	1.1
117.07014	0.7
119.08602	2.7
121.10165	1.7
123.04291	1.4
123.08077	1.3
125.09663	1.4
127.03918	3.1
129.05492	2.4
129.07077	0.6
130.52902	0.7
131.08583	1.1
133.10164	2.0
135.11719	0.8
145.04987	1.3
145.10107	1.5
147.11693	1.8
149.09622	1.3
157.10150	1.6
159.11713	0.7
175.11166	1.0
181.04776	1.9
184.07304	3.5
185.04222	7.7
193.12280	2.6
193.61269	0.7
195.06323	1.4
199.05840	1.1
199.13261	1.4
201.03729	2.9
203.05278	1.5
211.13409	1.0
221.11559	0.8
229.14259	0.8
241.06821	1.5
243.08388	7.6
251.12611	3.1
277.14258	2.8
291.15833	1.0
301.08917	19.7
302.09097	0.8
307.14908	1.2
313.09073	0.7
315.10455	5.5
319.18958	0.9
327.10410	1.3
349.16199	2.0
349.20013	1.7
357.15396	1.8
367.17453	1.6
368.17523	0.8
369.15457	1.4
371.16888	1.4
373.11087	7.5
375.21548	0.8
383.16843	3.6
385.18289	14.6
387.12726	1.6
389.23291	0.8
395.16791	2.0
408.24664	0.8
429.17361	3.0
433.25647	1.2
439.19568	2.9
443.18793	6.2
447.23947	1.2
457.20392	2.7
469.20468	17.5
470.20499	1.7
479.26251	1.2
483.22015	1.1
485.19644	6.6
493.23996	2.0
499.21216	5.0
511.21585	2.2
527.21185	1.0
527.28253	1.9
528.21576	6.9
541.22382	7.2
555.24213	2.5
557.22028	1.9
567.27594	4.3
569.26563	2.2
583.31439	4.5
611.30518	2.9
612.31287	6.3
614.42169	0.9
625.31500	1.1
639.30090	3.5
641.31384	2.2
652.60315	0.8
653.31458	5.9
667.33069	2.0
681.34393	1.1
709.36768	3.3
721.37219	1.2
725.33344	1.5
765.37927	0.8
772.88959	0.8
793.39850	4.5
794.39343	1.0
811.41467	100.0
812.41559	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.6
57.07075	0.5
60.08154	1.3
61.76181	0.5
65.03926	1.0
67.05511	5.0
69.03432	3.4
69.07063	1.5
69.56181	2.7
71.07386	0.7
79.05493	3.5
81.03422	1.5
81.07069	3.0
83.04986	7.0
83.08615	1.0
84.91196	0.4
86.09715	3.6
86.59949	0.5
91.05483	7.6
93.07042	9.8
95.04975	2.2
95.08611	8.9
97.06532	1.5
98.23307	1.1
99.04459	0.6
100.61958	0.4
103.05453	1.1
105.04501	0.5
105.07029	10.2
107.04969	0.6
107.08599	6.0
109.06525	1.6
109.10168	2.5
111.04456	4.8
111.08081	4.2
113.06013	0.8
115.05441	1.3
116.06252	0.5
117.07040	3.0
119.08585	10.8
121.06498	3.8
121.10144	2.4
123.08076	2.6
125.00029	2.3
128.06189	3.0
129.07005	4.3
130.07742	0.8
131.08569	8.5
133.06494	2.2
133.10132	9.6
134.10416	0.5
135.08047	2.8
135.11693	1.0
137.05984	4.8
139.07581	2.0
141.06989	3.5
141.09174	1.1
142.07759	3.1
143.08563	6.9
144.09312	0.9
145.06490	1.7
145.10115	5.9
146.07256	0.5
147.08067	2.7
147.11691	3.8
149.05995	0.9
149.09679	1.2
153.06996	1.8
154.07693	1.1
155.04956	0.5
155.06172	0.5
155.08569	6.2
156.09331	1.9
157.06534	2.2
157.10121	7.1
158.07275	1.3
159.08049	4.7
159.11665	4.2
160.08897	0.6
161.09605	3.9
161.13280	1.0
163.11183	1.2
165.06966	4.1
166.07791	1.5
167.08546	3.5
168.05789	0.7
168.09293	1.6
169.06532	1.2
169.10133	4.6
170.07211	0.9
170.10870	0.6
171.08092	4.3
171.11646	3.1
172.08847	1.0
173.09633	5.7
173.13237	0.7
175.07616	0.6
175.11171	2.7
177.09103	0.8
178.07738	1.2
179.08556	3.7
180.09335	1.9
181.06532	0.7
181.10141	3.6
182.07265	1.3
182.10918	1.5
183.08046	3.9
183.11659	3.0
184.07335	11.9
184.08798	1.1
184.12265	0.7
185.06163	2.6
185.07716	1.6
185.09583	4.3
185.13272	1.5
186.10231	0.7
187.07599	1.6
187.11176	3.5
189.07011	0.5
189.09036	0.6
189.12753	2.0
190.07703	1.0
191.08615	1.2
191.10527	0.6
192.09406	2.4
193.10153	5.5
194.07397	1.1
194.10880	1.7
195.08096	2.2
195.11729	4.9
196.08766	1.4
196.12502	0.9
197.09613	6.2
197.13310	2.9
198.10222	0.8
199.07564	1.2
199.11169	3.7
199.14929	0.9
201.09125	4.5
201.12790	2.1
202.07771	0.8
203.08661	1.2
203.10608	0.7
204.09413	0.9
205.10126	3.2
205.12027	0.9
206.10684	1.1
207.07983	0.6
207.11696	5.3
208.08823	4.1
208.12273	0.8
209.09605	5.3
209.13214	2.8
210.10388	1.3
211.07607	1.4
211.11189	3.3
211.14772	1.2
212.11922	0.6
213.09177	1.6
213.12769	1.2
213.16632	0.6
215.08629	1.8
215.10670	0.9
216.09358	1.1
217.10164	3.0
217.12074	0.8
218.10939	1.6
219.08170	0.8
219.09929	1.2
219.11926	2.8
220.08939	0.7
220.12421	1.2
221.09724	2.6
221.13280	2.7
222.10423	1.3
222.14055	0.7
223.11177	10.8
223.14731	1.0
224.08505	0.7
224.11971	1.0
225.09106	13.4
225.12617	5.2
226.09575	0.7
227.10719	4.2
227.14169	2.6
229.10139	1.9
229.12221	0.6
230.10905	1.5
231.11751	2.3
231.13774	0.6
232.08987	1.0
232.12492	1.9
233.09627	1.1
233.13271	2.9
234.10403	1.3
234.13937	0.7
235.11227	3.9
235.14789	1.8
236.08321	0.8
236.11801	0.8
237.09108	1.5
237.12845	2.3
237.16388	0.6
238.09901	0.6
239.10681	3.1
239.14317	1.2
240.11368	1.1
241.10040	0.9
241.12354	1.1
242.10864	0.8
243.11832	2.9
244.12480	1.9
245.09581	0.8
245.13347	4.0
245.15471	0.9
246.10443	1.1
246.14069	1.6
247.11102	2.7
247.14893	2.3
248.11978	1.6
249.09088	1.0
249.12711	3.3
249.16472	1.1
251.10687	7.7
251.14403	1.7
252.11292	0.7
253.12251	4.2
253.14601	0.5
253.15747	0.5
255.11751	0.8
256.12408	1.0
257.13235	2.8
257.15619	1.0
258.10504	0.5
258.13995	1.2
259.11084	2.3
259.14856	2.9
260.11969	1.7
260.15659	1.0
261.09183	0.7
261.12799	3.1
261.16263	2.6
262.09995	0.6
262.13623	1.8
262.17108	0.7
263.10709	1.7
263.14249	2.7
265.12302	1.8
265.15796	1.1
270.13977	1.3
271.11133	0.9
271.14783	1.6
272.12051	2.1
272.15576	1.3
273.12735	2.9
273.16385	1.6
274.13516	1.6
274.16898	0.5
275.10806	1.0
275.14310	2.3
275.17764	1.1
276.11768	0.6
276.15054	0.9
277.12357	1.5
277.15952	2.7
277.19275	0.6
279.13873	1.2
279.17563	0.8
283.11038	0.7
285.13202	1.0
285.16476	2.3
286.13538	0.8
286.16891	0.8
287.14313	2.8
287.17926	2.0
288.15076	1.7
289.12469	1.1
289.15881	3.4
289.19257	1.0
290.13010	0.9
290.16580	0.5
290.20078	0.7
291.13803	3.2
291.17273	0.9
291.20950	0.6
293.15665	0.8
298.13519	1.2
299.14426	1.0
299.17886	0.9
300.15079	1.3
300.25546	0.6
301.12347	0.7
301.15836	1.4
301.19287	0.8
302.20151	0.8
303.13834	1.7
303.17441	2.9
304.14578	1.4
305.15366	4.1
305.18845	1.0
306.16083	0.7
307.17001	1.4
307.20593	0.9
311.14395	0.9
312.14972	1.1
313.12460	0.8
313.15887	3.6
315.17413	1.9
317.15381	1.8
317.19165	1.3
318.16125	0.7
318.19638	0.6
319.16928	1.2
323.14297	0.6
327.17267	1.1
328.14575	0.6
328.18124	1.2
329.15201	0.7
329.18823	0.8
330.15939	0.6
331.16876	7.6
333.18417	2.0
335.20071	1.3
339.17615	0.8
345.18710	0.9
346.19296	1.6
347.20251	0.9
355.16977	0.6
357.18442	0.7
369.18393	0.6
381.22025	2.2
385.21710	1.1
387.19577	4.1
391.20328	0.8
399.23187	5.0
401.24893	4.2
403.22833	1.4
405.20453	3.6
409.21667	3.7
417.24271	5.4
419.25919	3.5
427.22720	14.3
428.23077	1.2
429.23895	1.0
435.25262	1.4
445.23743	100.0
446.24084	10.9
463.24796	30.6
464.25177	2.6
481.25592	1.4
642.84473	0.6
707.37592	26.6
708.38202	3.6
715.39020	0.6
757.40491	2.6
775.41479	1.8
811.41962	2.3
812.42126	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.3
59.05014	0.7
61.02928	5.3
67.05508	4.8
69.03432	3.8
69.07072	2.5
69.09641	0.8
69.10047	3.4
71.01388	0.5
71.04995	1.8
73.02927	3.9
79.05494	5.0
81.03423	4.8
81.07057	5.8
83.04967	0.7
83.08649	1.6
85.02903	4.9
86.09709	1.0
87.04482	0.8
91.03957	3.2
91.05480	4.6
93.07055	3.5
95.04994	1.8
95.08633	1.7
97.02895	4.2
97.06528	1.0
97.10173	0.5
98.22624	0.8
99.04473	0.8
101.02387	1.7
103.03947	1.0
105.07021	2.7
107.08629	2.0
109.06519	0.5
109.10170	1.1
111.08056	0.7
112.22346	0.4
117.07069	1.0
119.08570	2.5
121.06532	0.5
121.10150	2.2
123.08138	0.7
124.99978	0.6
125.09628	0.5
127.03954	1.4
129.07008	1.1
131.08598	1.8
133.10178	2.1
135.11678	0.7
145.05055	0.5
145.10074	0.6
147.11719	1.3
149.09669	1.8
157.10204	1.1
159.11760	0.6
160.76486	0.4
175.11261	0.8
184.07375	3.2
185.04338	0.8
185.07758	0.6
193.12285	1.8
225.14832	0.6
243.08339	3.4
267.15952	0.7
283.15228	3.6
328.49039	0.5
333.20462	3.2
339.17819	1.3
413.17654	0.7
439.19934	0.6
453.21439	1.3
469.20682	0.9
485.02585	0.6
501.23038	15.1
502.23502	1.2
508.10361	0.5
551.28186	7.2
552.28552	1.0
713.38269	0.7
721.37903	0.7
811.44482	100.0
812.44873	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82086	0.5
56.82356	0.6
57.03428	2.1
60.08170	0.7
61.02929	5.4
67.05506	5.9
69.03428	3.3
69.04814	5.6
69.07068	1.8
71.05017	0.6
73.02919	4.6
73.15993	0.5
79.05481	5.2
79.32214	0.6
79.52945	0.6
81.03439	2.2
81.07058	7.5
83.04960	0.8
83.08620	0.8
85.02915	5.4
86.09725	2.1
91.03960	3.5
91.05481	3.0
93.07034	5.5
95.04961	0.6
95.08596	4.5
97.02913	4.5
97.06497	0.7
99.04498	1.1
101.02383	1.9
105.07035	3.3
107.04975	1.0
107.08629	2.5
109.02898	1.1
109.06531	1.0
109.10178	2.1
116.18503	0.5
117.07064	0.9
119.08631	1.6
121.10180	1.8
123.11654	0.8
125.00011	2.0
127.03933	1.7
127.62711	0.5
131.08577	1.2
133.10083	1.3
135.11768	1.4
137.09656	0.5
145.10170	1.3
147.11749	0.7
149.13373	0.6
184.07346	9.6
219.17561	0.8
243.08484	2.4
261.05161	0.5
285.18356	0.8
294.63522	0.7
315.19327	4.5
519.29333	8.4
533.27179	5.2
654.72803	0.6
811.49554	100.0
812.49908	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75832	4.3
60.90809	4.5
61.02936	6.8
67.05504	11.0
69.03428	12.7
69.23407	26.1
69.23824	11.4
81.03403	15.4
81.07052	19.9
85.02909	82.7
90.64464	4.3
91.05455	6.7
93.07040	12.2
95.08617	22.8
97.02886	27.8
99.04463	41.4
103.03947	100.0
103.63142	4.9
105.07009	7.9
107.08604	10.8
109.02880	19.5
109.10155	12.0
119.08579	13.6
121.10122	12.6
127.03905	95.2
133.10127	12.1
145.04959	65.3
147.11693	8.1
149.09596	6.3
160.51004	5.1
161.13260	9.0
163.06003	54.6
184.07286	5.2
187.06015	6.3
287.28033	4.7
289.09210	6.4
290.96326	5.1
307.10178	12.3
425.34006	6.9
431.31619	6.8
435.32745	5.0
453.33325	7.7
469.19815	5.6
471.34625	21.7
497.14450	4.8
550.69531	4.7
641.31445	12.7
642.31726	45.2
799.48315	5.7
812.41711	15.4
813.38269	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.9
57.07054	2.7
57.65620	1.5
61.02924	3.3
67.05508	17.7
69.03432	13.1
69.07079	4.6
71.04998	6.8
71.08657	1.8
73.02932	5.4
79.05496	9.5
81.03419	19.3
81.07064	29.9
82.17383	1.7
83.04991	4.1
83.08630	4.5
85.02905	58.2
87.04469	1.9
91.05494	11.2
93.07048	23.7
95.04948	4.0
95.08613	47.9
97.02897	38.4
97.06531	4.3
97.10192	1.9
98.03248	1.7
99.04461	45.1
101.02407	2.5
103.03945	70.5
105.07037	22.0
107.08597	28.6
107.09280	2.2
109.02890	21.8
109.10159	32.3
110.10505	1.9
111.04436	1.6
111.08127	2.7
115.03957	2.0
117.07043	2.0
119.08585	24.4
121.06625	2.0
121.10149	30.5
123.08052	4.8
123.11703	16.3
125.09615	4.3
127.03916	100.0
130.07758	2.2
131.08600	6.9
133.10118	21.7
135.11707	18.2
137.09656	3.3
137.13257	3.4
139.11206	3.2
141.09109	1.8
141.44131	1.4
143.08551	2.2
145.04956	47.9
145.10127	11.7
147.08025	1.7
147.11703	27.6
149.13280	8.6
151.11147	1.8
157.10123	6.5
159.11674	13.1
161.09660	2.3
161.13269	28.2
163.06027	35.7
163.11227	2.3
163.14841	6.1
166.64514	1.6
171.11671	3.7
173.11896	1.5
173.13271	7.8
175.11139	3.7
175.14838	7.2
177.16420	4.7
181.12270	1.6
184.07378	4.8
185.04300	1.9
185.13318	3.3
187.06001	2.7
187.14894	5.4
189.12842	1.9
189.16365	8.9
191.14366	1.9
191.18001	3.6
199.14864	5.3
201.16449	4.3
203.17989	6.8
205.07112	4.3
213.16461	3.7
217.15915	5.7
217.19542	2.0
221.15471	2.4
227.17952	3.7
229.19556	1.9
235.16963	11.9
235.58368	1.6
241.19508	3.6
243.21143	1.5
247.16910	1.7
261.18533	2.2
271.08173	7.9
289.09125	3.9
307.10284	9.4
315.23141	2.5
316.28439	7.4
327.23248	3.6
329.08423	1.9
329.24811	7.1
343.26263	9.5
347.26169	2.6
355.26254	6.2
357.27451	1.7
365.28622	3.9
380.96072	1.7
383.29385	3.0
395.29462	9.2
397.19684	1.8
401.30426	32.6
402.30637	1.6
407.33066	5.1
413.17688	3.6
417.31784	3.1
425.34216	23.3
426.34433	3.8
435.32520	23.1
435.37967	2.6
436.32535	3.8
443.35004	4.7
453.33649	60.1
454.33972	6.8
469.20514	4.3
470.20709	4.7
471.34708	56.1
472.35065	6.6
488.53253	1.6
489.35718	23.1
490.35724	3.3
528.47400	1.6
641.31433	12.9
642.31750	40.8
643.32074	4.3
698.34125	2.5
722.37433	3.8
812.42664	8.3
813.39795	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	0.1
58.06363	0.2
58.06627	0.4
60.08163	7.7
67.05499	0.3
69.07065	0.2
70.06569	0.2
71.06982	0.3
71.07372	5.5
71.29855	0.2
77.83640	0.2
79.05502	0.2
81.07049	0.4
86.09704	39.2
87.10043	0.6
91.05471	0.2
95.08616	0.2
98.98462	4.6
104.10741	3.0
119.08568	0.2
120.10816	0.1
125.00002	25.4
126.00388	0.2
143.01045	0.4
167.55029	0.2
184.07336	100.0
185.07692	2.3
186.07765	0.3
339.08401	0.2
416.41550	0.2
482.93753	0.2
520.33234	0.2
629.47443	0.2
641.43445	0.2
794.52417	0.3
812.54211	3.4
813.53400	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82790	0.1
58.06625	0.6
59.07380	0.2
60.08165	7.3
62.31354	0.1
64.79157	0.1
67.05508	0.3
67.26913	0.1
70.06589	0.1
71.07373	4.5
72.07730	0.1
76.94370	0.1
79.05479	0.2
81.07058	0.3
82.25439	0.1
84.08167	0.1
86.09705	35.0
87.10033	0.5
87.74059	0.1
93.07022	0.2
95.08611	0.3
98.98463	4.9
104.10741	3.0
105.07059	0.1
109.10199	0.1
125.00002	25.3
126.00378	0.3
126.74860	0.1
134.09654	0.4
143.01045	0.4
144.08092	0.2
145.08885	0.2
160.11211	2.9
166.02597	0.1
184.07338	100.0
185.07687	1.7
203.25427	0.1
258.08920	2.7
271.32471	0.1
341.44571	0.1
712.45013	0.4
794.52405	0.4
812.55072	0.8
813.54456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5434
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06380	0.2
58.06636	0.5
60.08165	5.8
69.12708	1.7
70.06606	0.3
71.07376	3.6
81.07024	0.2
86.09705	29.3
87.10040	0.4
94.53844	0.2
95.08619	0.2
98.09816	0.2
98.98466	3.5
104.10745	2.7
119.08593	0.3
125.00002	20.9
143.01001	0.2
153.93336	0.2
174.85640	0.2
178.68091	0.2
182.18114	0.2
184.07343	100.0
185.07706	1.6
227.74371	0.1
402.92523	0.2
471.97766	0.2
707.38361	0.2
794.53241	6.0
795.53156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08162	5.5
67.05506	5.6
69.03426	1.8
69.07056	1.8
70.81226	1.0
70.81551	0.8
71.07375	4.0
71.42266	0.6
79.05480	2.8
81.07052	6.7
83.04977	3.4
83.08569	0.8
86.09705	36.2
87.10026	3.9
91.05470	5.2
93.07039	6.5
95.04958	2.1
95.08607	9.6
96.08936	1.2
97.06516	0.9
98.98472	3.6
101.62980	0.7
104.10728	2.2
105.07031	6.2
107.08592	6.0
109.06503	1.7
109.10151	3.4
111.04424	2.3
111.08077	1.4
117.07043	1.3
119.08577	5.2
119.09292	0.9
121.06480	1.9
121.10159	3.0
123.08025	1.4
125.00008	22.1
125.09631	0.8
126.00346	1.0
128.06216	1.9
129.07001	2.7
131.08580	4.6
133.06534	1.5
133.10152	3.9
135.08044	1.9
135.11632	1.2
136.74390	0.7
137.05988	4.0
141.06970	1.4
142.07794	1.4
143.08565	4.2
145.06502	0.9
145.10115	4.0
147.08003	1.8
147.11700	1.5
148.33162	0.6
151.07501	1.0
153.06972	1.2
154.07758	0.9
155.08534	3.1
156.09288	1.0
157.06502	1.4
157.10110	3.6
158.07295	0.8
159.08015	2.4
159.11702	2.4
161.09593	2.7
161.13255	1.0
165.07004	1.5
167.08545	1.6
169.10120	2.5
170.10901	0.9
171.08076	3.4
171.11673	2.7
173.09631	2.4
173.13185	1.4
175.11220	1.0
177.08907	0.8
178.07784	0.8
179.08586	1.9
180.09325	1.2
181.06387	0.9
181.10118	3.1
182.10866	0.8
183.08026	2.3
183.11734	2.2
184.07346	100.0
185.05998	1.3
185.07663	11.5
185.09586	2.4
186.07893	0.8
187.07552	1.5
187.11206	2.4
189.12601	1.2
192.09224	1.2
193.10106	3.1
194.10875	0.8
195.07959	1.6
195.11714	3.7
197.09599	3.8
197.13286	1.9
199.07559	0.8
199.11198	2.6
201.09109	1.4
205.10130	2.4
206.10825	1.5
207.11711	3.6
208.08878	1.4
209.09633	4.1
209.11249	0.7
209.13283	1.7
210.10341	1.3
211.11154	3.1
213.09183	1.0
217.10085	1.2
218.10907	0.8
219.11765	1.6
221.09695	1.6
221.13245	2.7
222.10361	1.7
223.11160	6.0
223.14723	1.5
225.09137	4.3
225.12669	6.5
227.10666	2.7
227.14203	1.7
229.67267	0.7
231.11742	1.3
232.12416	0.9
233.09631	0.9
233.13231	1.5
235.11165	4.8
235.14789	1.3
236.11876	1.5
236.59752	0.7
237.09154	1.3
237.12718	2.5
238.09966	1.3
239.10654	1.6
239.14304	1.1
241.12289	1.3
245.09573	1.3
245.13300	1.7
246.10298	1.3
246.14127	0.9
247.11331	1.8
247.14862	2.7
248.11832	0.8
249.12772	2.5
249.16426	1.4
251.10727	3.9
251.14265	1.9
253.12199	4.7
259.11255	1.3
259.14871	1.0
260.11868	1.4
261.12772	3.1
261.16403	1.7
263.14392	1.6
263.17899	1.7
264.15015	0.8
265.12280	1.1
265.15820	1.8
267.13751	1.2
270.14041	0.7
273.12680	1.4
274.13449	1.7
275.14279	3.9
276.14758	1.1
277.15781	1.7
279.13831	2.3
279.17444	1.6
289.15845	5.0
291.14035	1.3
291.17365	2.6
292.18146	0.8
293.15265	1.7
305.15469	1.2
305.18863	0.8
307.16962	4.4
308.17465	0.8
313.26923	0.7
315.17236	1.4
319.16934	1.1
333.18448	2.8
389.21133	2.3
401.24609	1.7
403.26242	1.7
407.22000	2.2
411.23114	1.2
419.25754	2.3
421.27338	1.6
429.24243	12.9
430.24661	2.2
431.25751	1.3
447.25293	44.9
448.25568	6.0
449.26248	0.8
465.26285	9.8
466.26721	1.3
485.08737	0.8
587.38885	1.0
639.17102	0.7
709.38544	1.3
759.41840	2.3
760.42737	0.9
795.53082	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.49
Annotation	Unknow
Peak:m/z	Relative Intensity
70.80977	1.6
70.81310	1.7
86.09728	2.8
88.75079	1.1
89.55544	1.0
95.29363	1.1
98.23032	1.1
125.00117	1.1
184.07379	8.6
195.26572	1.2
263.63565	1.1
294.41052	1.2
411.92279	1.0
498.78836	1.2
813.49084	100.0
814.49341	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4901
Annotation	Glabrin C
Peak:m/z	Relative Intensity
67.05504	1.2
70.56475	0.9
70.56840	2.5
81.07036	0.9
91.54757	0.8
95.08600	1.0
109.10148	1.0
112.71882	0.9
125.00043	1.3
184.07431	3.0
194.87862	0.9
232.12202	1.0
374.67627	1.0
515.88330	1.0
535.26862	1.3
813.49054	100.0
814.49347	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	1.4
60.08174	2.2
61.02930	4.9
66.94735	0.6
67.05508	5.6
69.03448	3.6
69.07066	1.6
69.22742	4.8
71.07383	1.4
72.74890	0.5
73.02924	4.2
75.25461	0.6
79.05481	4.3
81.03426	1.5
81.07065	6.3
83.05022	0.6
83.08618	1.0
85.02913	5.6
86.09711	12.3
87.04466	0.6
87.10077	0.8
89.98481	0.6
91.03974	3.5
91.05476	4.8
93.07045	6.1
95.08611	4.1
97.02889	5.4
98.22867	2.4
98.98484	1.4
99.04477	0.7
100.47147	0.7
101.02406	1.7
104.10772	1.9
105.07056	3.4
107.08627	2.3
109.10173	0.7
117.07034	1.4
119.08566	2.9
121.10176	2.0
124.99998	7.5
127.03943	1.3
133.10182	1.1
135.11707	1.2
145.10114	1.2
147.11710	1.1
173.13326	0.8
184.07352	41.6
185.04260	1.1
185.07700	3.0
200.59821	0.8
224.83971	0.6
243.08543	1.8
243.82056	0.6
301.09085	1.1
317.21207	0.6
335.25623	0.7
369.25082	0.7
373.11179	0.7
519.29193	8.2
520.30054	0.7
535.28613	7.8
536.29321	0.7
679.19159	0.7
813.51190	100.0
814.51501	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06364	0.3
58.06637	0.5
59.07383	0.2
60.08164	5.7
64.10030	0.1
67.05510	0.2
68.77806	0.1
70.06608	0.2
71.07372	3.6
71.32054	0.2
79.05486	0.2
79.97475	0.1
81.07045	0.2
86.09705	32.3
87.10030	0.5
88.40618	0.2
95.08633	0.2
98.98463	4.1
104.10748	2.2
105.43117	0.1
125.00005	20.7
126.00389	0.2
143.01050	0.2
184.07339	100.0
185.07697	1.6
206.93124	0.1
290.03455	0.1
437.94247	0.2
518.32098	0.2
579.28955	0.2
778.53833	4.3
779.54199	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	0.1
58.06315	0.2
58.06630	0.6
59.07393	0.2
59.93950	0.1
60.08165	7.3
61.08474	0.1
67.05506	0.3
69.07059	0.1
70.06587	0.1
71.07376	4.4
71.08638	0.1
72.07725	0.1
79.05505	0.2
81.03432	0.1
81.07047	0.3
83.04974	0.1
86.09705	34.2
87.09551	0.1
87.10030	0.6
91.05479	0.2
93.07040	0.2
95.04933	0.1
95.08609	0.2
97.40421	0.1
98.98466	4.1
103.12883	0.1
104.10738	2.9
105.07060	0.2
107.08595	0.2
109.10183	0.1
125.00002	24.0
126.00343	0.2
135.11658	0.1
143.01013	0.2
143.18587	0.1
145.10094	0.1
166.02692	0.1
182.35590	0.1
184.07341	100.0
185.07690	2.1
190.47867	0.1
212.17096	0.1
266.02411	0.1
313.27460	0.2
364.18735	0.1
388.32358	0.1
410.62619	0.1
507.04449	0.1
714.46802	0.6
796.54370	0.5
814.55981	1.3
815.56006	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.2
57.07082	0.1
58.06390	0.1
58.06629	0.4
59.07390	0.2
59.86657	0.1
60.08164	6.9
61.08510	0.1
67.05505	0.7
69.07069	0.2
71.07376	4.1
71.08631	0.2
73.02932	0.2
79.05493	0.5
81.03436	0.2
81.07034	0.7
83.08620	0.2
86.09705	33.1
87.09496	0.2
87.10044	1.1
91.05473	0.3
93.07037	0.5
95.04940	0.1
95.08604	0.5
98.23418	0.3
98.98460	4.6
104.10741	2.9
105.07030	0.3
107.04961	0.1
107.08600	0.3
109.06529	0.1
109.13657	0.1
119.08582	0.3
121.10229	0.2
125.00002	23.5
126.00368	0.3
143.01089	0.2
145.10127	0.3
184.07339	100.0
185.07707	3.1
186.07800	1.0
227.12662	0.1
228.88220	0.2
313.27316	0.3
315.18137	0.3
329.07785	0.2
515.07526	0.1
521.38574	0.2
642.44421	0.1
714.46075	0.3
716.48981	0.2
751.69586	0.1
796.53650	0.5
814.53253	2.4
815.54370	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08422	0.9
71.08757	0.9
80.44642	0.7
95.08652	1.0
124.83805	0.7
125.02167	1.0
149.02124	0.9
168.00795	0.8
184.07375	0.8
185.04216	10.7
196.84242	0.7
227.05429	1.2
266.70798	0.8
267.08405	7.2
269.06311	1.4
311.07431	2.2
329.08405	56.1
330.08737	1.7
491.30981	2.1
509.31900	7.1
510.32520	1.0
527.32367	2.1
653.34381	0.8
797.40729	16.6
798.41364	2.4
815.41809	100.0
816.42126	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19790	10.9
78.35081	1.3
79.36874	1.4
86.88770	1.4
93.88082	1.7
144.54280	1.3
145.66689	1.4
231.26831	1.5
239.98161	1.4
380.61942	1.5
444.48764	1.5
475.44031	1.4
576.90222	1.7
700.22797	1.7
815.50708	100.0
816.50793	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.5749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	0.3
58.06623	0.5
59.07377	0.2
60.08165	6.3
67.05505	0.5
69.07063	0.3
70.06585	0.2
71.07375	3.7
77.83633	0.1
79.05484	0.3
81.07057	0.4
84.74892	0.2
86.09707	30.7
87.10043	0.7
91.05486	0.3
91.52377	0.2
93.07047	0.4
95.04980	0.2
95.08604	0.3
97.06524	0.2
98.98465	4.0
104.10737	2.6
105.07011	0.3
107.08604	0.4
109.10185	0.3
117.07001	0.2
119.08543	0.2
125.00006	21.1
126.00361	0.2
132.85919	0.1
133.10091	0.3
143.01059	0.2
155.01938	0.2
157.10185	0.2
166.02852	0.2
177.08838	0.2
184.07344	100.0
185.07701	2.7
186.07793	0.6
197.81822	0.2
289.18082	0.2
313.27310	0.6
644.45013	0.2
716.48059	0.8
798.55200	0.6
816.57678	1.5
817.57196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	2.6
58.99596	16.8
64.60990	2.4
65.03925	3.3
67.05499	17.6
69.03429	4.6
69.07059	4.5
69.34296	6.4
69.34718	9.3
70.02944	10.1
71.04987	3.8
76.02227	95.8
76.03998	5.7
79.05479	10.7
80.05038	2.6
81.07050	8.0
83.04988	35.0
83.06089	3.6
83.56066	2.4
84.04507	23.6
84.49648	2.2
85.02875	3.3
86.99069	3.4
91.05468	17.1
92.46077	2.6
93.07042	23.1
95.04964	9.2
95.08608	34.2
97.06554	4.0
98.23285	4.6
99.05559	4.2
103.05441	2.7
105.07039	21.6
107.08588	16.9
109.06529	5.0
109.07643	6.0
109.10163	6.7
111.04428	24.7
111.08064	10.1
113.06006	2.8
115.05444	5.3
116.01680	24.0
117.06998	10.9
119.08603	23.6
121.06489	9.1
121.10143	8.0
123.08061	8.7
127.03868	2.9
128.06276	5.4
129.07065	11.2
130.05000	8.7
131.08582	19.8
133.06520	3.2
133.10123	15.6
135.08083	8.4
135.11678	6.0
137.09558	2.6
139.07523	6.8
141.04755	2.6
141.06961	10.4
142.03247	10.7
142.07787	8.5
143.08551	19.8
144.01143	12.3
144.09283	4.4
145.06088	35.8
145.10120	23.8
147.04457	2.9
147.08051	7.9
147.11726	5.7
149.06058	2.7
149.09604	4.4
153.06885	5.2
154.07870	4.5
155.08548	37.8
156.09258	9.9
157.06520	3.1
157.10117	21.5
158.07268	2.6
159.08017	11.5
159.11703	14.3
161.09589	5.0
162.02209	45.0
163.03867	4.7
163.11198	3.3
165.07036	8.2
166.07732	4.8
167.08543	14.6
168.09319	4.9
169.10127	30.2
170.02765	3.6
170.10822	4.8
171.08017	7.1
171.11739	17.0
172.08807	3.3
172.12451	2.8
173.09612	21.9
173.13199	4.8
175.11218	4.2
177.03358	4.0
178.07776	4.4
179.04846	54.0
179.08430	12.5
180.09291	5.7
181.10094	18.9
183.08101	5.0
183.11673	12.3
184.12450	3.5
185.09630	11.5
185.13251	4.4
187.05428	7.9
187.11240	12.0
189.12732	3.6
191.08398	3.8
192.09412	6.4
193.10161	21.1
194.10843	7.4
195.08069	6.4
195.11742	18.8
196.08850	2.4
196.12454	3.0
197.09569	14.5
197.13216	9.5
199.07518	6.1
199.11180	11.3
201.09105	4.1
201.12746	3.3
203.08618	4.7
204.09303	3.6
205.10167	13.4
205.11969	3.5
206.10960	14.0
207.11714	29.5
208.12325	5.0
209.09618	9.5
209.13263	16.1
210.10551	2.6
211.11200	15.5
211.14775	8.3
213.09036	3.2
213.12740	8.5
215.04852	5.7
215.08661	4.6
215.10649	6.4
215.14249	3.1
216.09302	5.6
217.10156	10.8
218.10963	6.7
219.11742	21.2
220.12439	8.0
221.09631	4.2
221.13228	37.3
222.10353	4.0
222.13925	5.0
223.11226	17.6
223.14853	14.8
225.09273	3.6
225.12741	9.7
227.14247	3.3
229.10156	5.6
230.10872	5.9
231.04301	10.0
231.11780	11.8
232.12442	8.9
233.05901	26.1
233.13326	17.7
234.13937	5.4
235.11131	7.8
235.14734	11.3
237.12845	12.8
237.16324	3.2
239.10754	6.1
239.14310	9.3
241.12213	7.1
243.11760	12.2
244.12428	9.9
245.05879	5.5
245.09480	2.7
245.13214	15.5
246.13968	7.8
247.11183	4.6
247.14833	15.4
249.12711	14.6
249.16382	7.6
251.14355	4.0
253.12271	4.7
255.11542	2.7
255.13919	5.4
256.12381	3.3
257.13208	11.5
258.14053	7.8
259.11142	3.0
259.14841	24.5
260.15552	6.3
261.12656	4.8
261.16370	9.3
262.13339	2.8
263.14362	7.5
263.17969	4.7
265.12250	5.8
265.15952	4.5
265.19476	6.7
267.13840	9.7
267.17603	2.8
270.13983	4.5
271.14761	8.0
272.15405	3.8
273.12793	4.4
273.16351	16.9
274.10309	7.9
274.17029	5.9
275.14273	10.0
275.17868	11.1
277.15866	11.6
279.13910	3.6
279.17426	4.8
281.19125	4.1
284.15588	3.2
285.12991	3.5
285.16318	12.2
286.13626	4.3
287.14389	5.7
287.17886	7.3
289.15869	3.5
289.19510	4.1
291.06403	3.1
291.17398	10.5
293.19061	5.6
299.14276	3.5
299.17892	5.2
301.15793	6.2
301.19449	10.1
302.16534	4.9
303.17313	6.0
305.15292	4.9
308.09085	100.0
309.09454	4.3
309.18658	25.9
314.20029	3.5
316.21765	7.4
317.15384	4.4
317.18854	3.3
319.16922	12.7
327.17297	5.9
331.20441	5.0
337.18152	6.6
339.17368	2.9
345.18448	8.8
349.21439	5.6
360.20624	2.9
381.22037	3.7
399.23022	7.7
413.24686	12.7
415.26361	29.9
416.26816	3.4
417.24164	10.0
423.23056	8.8
431.26035	12.1
433.27570	53.9
434.27838	5.9
441.24304	37.0
449.26526	4.8
459.25308	83.4
460.25412	8.1
477.26364	88.5
478.26599	8.9
491.22440	5.8
495.27386	11.4
570.28723	3.1
637.28143	3.1
655.30487	26.0
656.29901	4.3
663.96863	2.9
673.31531	32.4
674.31628	6.0
691.32391	4.3
709.31006	10.2
727.32471	36.9
728.32489	4.0
745.33136	5.6
784.34198	16.1
785.33167	3.4
802.35742	43.4
803.35779	8.3
820.36670	25.8
821.37689	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.52
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	11.5
57.07078	1.9
59.04994	3.0
60.08165	2.4
65.03935	5.5
67.05507	91.6
68.05852	1.9
69.03429	11.7
69.07068	26.6
71.04990	2.5
71.07361	2.0
71.08630	1.4
77.03903	1.6
79.05494	90.8
81.03432	4.5
81.07058	81.5
82.07415	1.7
83.04980	9.3
83.08617	49.6
85.02910	1.8
85.06552	3.9
86.09698	12.5
89.83061	1.5
91.05480	79.4
92.05827	2.2
92.72760	1.7
93.07043	71.6
95.04981	7.5
95.08606	43.8
97.02882	1.5
97.06550	4.0
97.10171	88.0
98.10500	2.9
98.22697	6.8
98.23381	3.2
99.08138	2.3
103.05463	3.4
105.04541	2.9
105.07034	31.1
107.04963	6.5
107.08594	56.3
108.08888	1.5
109.06512	5.0
109.10159	23.2
111.08090	4.6
115.05425	8.0
117.07018	46.3
118.07337	1.4
119.08582	88.7
120.08902	3.3
121.06535	4.1
121.10150	23.6
123.08053	3.3
123.11702	5.0
124.99983	4.1
125.09631	78.6
126.10021	1.6
128.06232	3.3
129.06984	6.9
131.08559	22.0
133.06532	1.6
133.10129	14.0
135.08047	20.7
135.11681	15.9
137.09669	1.5
141.07045	3.9
143.08575	10.8
143.10686	3.5
145.06490	33.2
145.10127	13.2
147.08060	7.0
147.11699	7.4
149.09669	2.4
149.13275	8.6
153.09129	10.8
155.08568	7.4
157.10159	8.0
159.08047	16.2
159.11671	7.0
160.27547	1.7
161.09650	4.7
161.13303	5.4
163.07576	2.9
163.14818	3.5
169.10133	3.7
170.19662	1.6
171.08124	2.0
171.10194	5.0
173.09651	5.8
173.13226	7.8
175.14807	2.8
181.10054	1.9
183.11844	2.2
184.07344	39.1
185.13206	2.1
187.14827	2.9
189.11220	57.2
190.11555	1.9
197.09711	1.4
215.14294	2.6
215.65381	1.4
225.12677	1.5
225.16408	2.3
227.12775	100.0
228.13156	4.8
235.14896	2.6
243.17552	4.5
243.21127	6.5
245.13895	2.9
250.55295	1.5
253.16014	2.5
259.20471	1.6
261.18375	1.5
261.18997	1.8
261.22131	29.4
262.22516	2.1
271.16925	82.5
272.17325	6.4
278.46170	1.7
289.17953	25.7
307.18829	1.6
317.24799	6.1
327.19629	3.6
333.24371	2.6
335.25790	78.7
336.26193	5.5
345.20673	16.6
363.21634	28.2
364.22180	2.0
431.31436	1.7
487.34027	5.8
505.35251	57.7
506.35501	7.3
605.41919	33.9
606.42200	6.5
623.43036	93.7
624.43243	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	4.6
57.07067	2.3
59.04981	1.3
60.08148	1.7
61.65031	1.1
65.03939	3.6
67.05506	49.2
69.03423	6.7
69.07066	11.6
75.17094	1.2
79.05496	46.9
81.03419	1.6
81.07054	37.6
83.04984	6.5
83.08142	1.9
83.08617	26.4
85.06544	1.9
86.09704	11.4
91.05484	44.4
92.12920	1.0
93.07041	32.0
95.04965	3.8
95.08603	16.3
97.06544	3.0
97.10172	56.8
97.76534	1.1
103.05417	1.8
105.04428	1.1
105.07034	17.5
107.04942	2.8
107.08595	36.9
108.08854	1.1
109.06504	3.3
109.10157	13.5
110.10406	1.1
111.08073	2.9
115.05456	6.0
117.07018	28.7
119.08581	63.5
120.08886	1.8
121.06504	2.0
121.10145	10.1
123.08054	1.6
123.11700	2.4
125.00025	6.7
125.09631	47.7
128.06200	2.5
129.06975	4.0
131.08578	12.4
133.06438	2.0
133.10138	5.9
135.08055	13.5
135.11719	7.3
137.09593	1.2
141.07034	1.2
142.07759	1.8
143.08557	8.7
143.10643	1.9
145.06477	23.7
145.10121	7.7
147.08054	3.6
147.11693	3.6
149.13239	3.4
153.09114	4.7
155.08572	3.4
157.10127	4.5
159.08078	8.7
159.11685	4.2
161.09633	2.9
161.13280	2.9
163.07510	3.0
163.11122	1.5
163.14844	1.7
169.10136	4.3
171.07938	1.8
171.10175	3.8
171.11551	1.5
173.09587	3.0
173.13283	2.2
183.11728	1.9
183.95757	1.2
184.07336	33.6
185.07710	1.5
187.14774	1.6
189.11221	45.6
190.11574	2.4
197.13287	1.4
199.11224	1.4
225.16380	1.4
227.12775	100.0
228.13176	4.4
235.14902	1.3
243.17484	3.1
243.21089	4.2
245.13895	1.7
253.15823	3.1
261.22113	14.7
270.56619	1.2
271.16928	61.3
272.17227	3.2
273.18521	1.3
289.18005	19.9
290.18698	1.5
312.72375	1.2
317.24878	1.4
335.21802	1.4
335.25818	29.9
336.26102	2.6
345.20639	12.3
363.21606	20.1
364.21851	1.5
372.61728	1.2
396.28922	1.3
487.34091	4.7
505.35150	11.0
521.04303	1.1
605.41907	15.5
606.41864	3.5
606.51709	1.3
623.43060	45.4
624.43579	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.3
57.07068	2.1
60.08178	2.1
65.03915	2.6
67.05176	2.3
67.05508	31.5
69.03428	1.8
69.07069	29.7
69.31253	2.0
69.31661	7.1
79.05491	27.0
81.03394	6.5
81.07058	38.8
81.38708	1.2
82.07390	1.5
83.04980	10.2
83.08617	4.6
85.02880	1.3
85.06564	1.6
86.09710	10.4
91.05479	44.7
93.07053	26.2
95.01316	9.2
95.04449	1.6
95.04972	9.7
95.08041	2.4
95.08608	28.0
97.06533	55.1
97.10181	3.1
98.98489	1.9
103.05450	1.3
103.41463	1.2
105.03405	2.0
105.07031	65.7
107.04963	17.8
107.08589	15.1
109.02829	1.4
109.06539	3.7
109.10147	6.8
111.08083	4.2
115.05462	3.1
117.07018	14.8
119.07775	2.6
119.08587	34.0
120.08927	1.4
121.06506	3.8
121.10154	8.7
123.04404	3.7
123.08069	5.0
123.11770	1.8
125.00004	5.4
129.07042	4.1
131.08568	18.8
133.06459	1.4
133.10124	37.1
135.08069	4.1
135.11710	8.4
137.05986	5.2
137.09627	4.2
139.07562	3.5
141.06985	3.4
143.08540	4.5
145.06462	4.1
145.10143	16.8
147.07977	2.0
147.11670	13.0
149.09596	10.2
149.13254	4.6
155.08574	2.6
157.10162	3.6
159.07951	2.5
159.11723	9.7
161.09596	2.1
161.13237	7.2
163.11133	6.4
165.09041	1.6
169.10146	2.0
171.11705	3.7
173.09605	1.8
173.13257	3.2
175.11205	1.6
177.12759	1.9
179.14301	13.4
183.08228	1.5
184.07332	28.4
187.07469	1.4
187.11165	4.4
189.12822	1.5
191.07059	4.1
197.13211	1.9
199.11275	1.5
221.13237	1.8
229.19514	1.7
247.20557	2.7
257.18842	3.8
275.20078	88.4
276.20425	6.7
293.21109	5.4
300.27380	1.4
313.27423	2.7
349.23737	51.4
350.24118	5.6
362.38416	1.4
455.22626	1.4
473.23770	1.7
623.43005	100.0
624.43451	16.6
641.44415	1.8
729.51917	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
57.07076	0.7
58.06359	0.2
58.06621	0.4
59.07387	0.2
60.08162	5.4
61.08498	0.2
67.05502	1.6
69.03435	0.2
69.07059	0.6
69.31760	0.9
71.07374	3.9
71.08633	0.6
79.05487	1.0
81.07056	1.6
83.08628	0.6
85.10175	0.3
85.88283	0.1
86.09702	28.9
87.10043	0.4
91.05471	0.6
93.07033	1.0
95.08607	0.9
97.06533	0.2
97.10163	0.7
98.98459	3.6
104.10739	2.4
105.07021	0.7
107.08584	0.8
109.10143	1.1
111.70105	0.1
117.07038	0.4
119.08586	1.6
121.10118	0.2
123.11710	0.1
124.99998	19.8
125.09602	0.4
128.06247	0.2
131.08571	0.3
133.10130	0.3
135.08052	0.3
135.11736	0.2
139.21666	0.1
143.01024	0.2
143.08481	0.2
145.10205	0.4
147.11729	0.1
149.09505	0.2
157.09999	0.2
159.08035	0.5
159.11777	0.2
168.89890	0.1
173.11748	0.3
173.13170	0.2
184.07335	100.0
185.07709	1.9
189.11214	0.3
227.12816	0.6
229.14392	1.0
269.17426	0.4
271.16858	0.3
275.20053	0.5
289.18051	0.3
313.27332	1.6
335.25748	0.9
349.23737	0.4
363.21509	0.3
367.24689	0.3
382.96274	0.1
409.36197	0.1
467.37152	0.6
496.33804	0.2
507.40240	0.8
587.46509	0.5
605.47693	0.2
623.43030	1.0
650.44238	0.3
704.48505	1.8
752.51569	0.4
770.53284	1.2
788.53607	0.4
820.56989	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11251	6.1
67.05508	18.9
69.01192	63.8
77.56689	6.7
79.05479	11.2
80.69536	7.2
81.07058	27.8
81.34818	6.1
86.09714	7.9
91.05494	17.7
93.07071	14.8
95.08599	30.1
98.22978	38.8
105.06997	9.4
107.08579	11.2
109.10123	8.4
119.08585	10.6
121.10114	11.8
125.09589	7.6
133.10092	9.6
135.11688	12.0
142.38165	7.3
151.31190	7.1
159.11757	7.7
184.07367	38.5
185.12997	7.8
201.12929	7.3
243.33662	7.8
261.22266	14.7
333.24677	8.7
335.25800	100.0
348.14551	7.9
595.47180	19.1
640.48956	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	24.2
57.07067	3.4
57.72098	1.0
59.05010	6.6
61.02917	4.9
65.03932	3.4
67.05505	100.0
68.05829	1.5
69.03424	8.8
69.07069	15.2
70.04202	1.0
71.01350	2.8
71.04984	6.5
71.31430	1.3
73.02917	8.0
79.05493	36.7
81.03419	22.9
81.07056	41.3
82.04192	2.9
83.01336	2.1
83.04981	17.3
83.08618	18.0
83.22556	1.1
85.02902	13.7
85.06532	4.6
85.79350	0.9
87.04475	5.3
90.96631	0.9
91.03944	1.3
91.05480	27.4
93.07045	21.7
95.04966	16.5
95.08609	18.7
97.02908	10.1
97.06539	8.3
97.09539	1.5
97.10165	30.0
97.10767	1.8
98.07308	4.4
99.04462	1.6
99.08083	2.0
101.06039	1.4
103.05487	1.6
105.07032	13.2
107.04962	7.4
107.08591	22.3
107.09283	1.6
109.02872	2.2
109.06533	5.3
109.10154	65.7
110.10486	3.8
111.04452	4.2
111.08079	5.4
115.05459	1.7
116.04718	10.4
117.07020	5.9
119.06264	1.0
119.08583	15.4
121.06516	2.6
121.10135	8.3
122.15356	1.0
123.04411	1.4
123.08077	7.3
125.09630	30.1
126.10397	1.3
127.03931	1.8
127.11182	2.4
129.05475	23.4
129.07014	3.6
130.07741	1.2
131.08563	7.1
133.10132	6.7
135.08034	2.9
135.11702	8.1
136.08844	0.9
137.09601	6.5
138.77711	1.1
143.07034	5.5
143.08644	1.7
143.10646	4.2
145.10123	8.3
147.08081	2.4
147.11708	5.7
149.02330	2.5
149.09607	3.0
153.09113	2.2
153.12770	4.4
155.08638	1.5
155.10635	5.6
157.08620	8.9
157.10094	2.8
158.05772	1.9
163.11182	12.0
165.12822	1.3
171.06572	2.4
171.10213	3.0
173.04491	1.0
173.09563	2.6
173.11757	21.3
173.13165	0.9
175.11182	3.0
181.12233	3.8
184.07365	1.9
185.11664	1.8
189.11212	5.6
191.10681	3.7
193.12180	5.1
199.13292	15.6
200.14006	3.3
209.11720	12.1
210.12395	1.8
211.13344	4.1
217.14427	4.1
227.12772	14.2
228.23248	1.1
229.14339	45.6
230.14713	1.7
242.15073	1.5
245.14038	1.1
255.15906	3.7
267.15924	8.2
269.17233	1.7
283.15396	9.6
284.16034	1.6
301.16461	44.5
302.16705	1.9
304.48712	1.0
311.18686	1.2
326.24536	1.2
350.05679	1.0
353.23196	1.4
371.24292	5.2
383.24155	8.5
399.23727	13.0
421.25748	2.7
426.71664	1.1
437.25372	3.4
438.25720	2.5
455.26398	14.0
509.27316	2.8
527.28613	5.8
541.33545	3.8
545.29187	1.6
553.33691	4.9
614.43353	1.2
625.35840	10.8
626.35754	1.8
719.33508	1.1
822.44055	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	19.1
57.07055	2.4
59.04990	6.7
61.02925	2.6
63.64668	1.7
65.03941	4.2
66.63820	1.7
67.05503	100.0
68.05820	3.1
69.03424	10.9
69.07066	37.0
69.12053	12.7
69.12453	2.9
71.01336	2.7
71.04983	10.5
73.02922	2.6
79.05489	55.3
80.83017	1.7
81.03414	89.3
81.07056	65.8
83.04977	12.8
83.08620	28.7
85.02900	6.7
85.06558	3.9
87.04476	3.7
91.04894	2.9
91.05476	61.8
93.07035	54.8
93.07624	3.3
95.04961	35.0
95.08603	31.9
97.02897	6.2
97.06529	12.2
97.10142	12.2
99.04477	3.3
99.08096	3.2
103.05476	3.3
105.04485	2.4
105.07033	39.5
106.07389	1.9
107.04953	16.4
107.08585	30.7
109.02821	2.2
109.06508	9.4
109.10160	39.2
111.04425	3.9
111.08080	11.8
115.05426	3.1
117.07004	15.5
119.08577	37.3
120.08922	1.9
121.06508	6.7
121.10138	19.6
123.04441	1.7
123.08071	6.0
123.11698	3.9
125.05969	1.8
125.09602	8.5
127.03887	1.9
128.06226	3.5
129.05498	3.6
129.07005	13.5
131.04927	1.8
131.08569	18.8
133.06479	5.1
133.10110	19.5
135.08060	6.2
135.11684	13.2
137.09604	8.8
139.11125	1.6
141.07065	1.7
142.07794	2.7
143.08557	6.1
145.06476	3.2
145.10114	15.4
147.08031	5.5
147.11685	15.8
149.09612	22.8
149.13252	4.4
151.11205	4.4
153.12860	1.9
155.10692	3.0
157.06480	2.5
157.10146	14.1
157.11311	2.5
159.08118	2.3
159.11740	7.4
161.09612	2.6
161.13268	3.2
163.11163	14.6
165.07002	1.8
165.12762	3.3
169.10025	3.6
171.11729	4.8
173.09659	2.3
173.10236	1.9
173.11737	13.1
173.13145	3.3
175.11143	13.6
175.14697	1.9
177.12820	2.2
179.14407	2.2
181.12238	2.5
183.11681	3.3
185.13293	1.9
189.11198	3.6
189.12672	1.8
191.10692	4.0
193.12245	30.5
193.13986	2.1
195.11650	1.9
199.13269	3.0
201.12604	2.3
205.12167	1.9
211.13257	5.8
219.13823	2.1
223.13245	3.6
225.14919	4.3
227.12679	8.0
229.14320	31.9
229.16412	2.4
243.15845	3.1
249.14839	3.5
253.14384	2.7
255.15996	6.4
257.18988	1.8
259.15359	2.9
267.15900	68.2
267.18790	3.8
268.16226	3.4
269.17627	3.6
273.18472	3.9
275.20074	16.3
281.29025	1.7
285.17099	2.3
291.19580	5.1
293.20944	1.9
311.19922	2.8
329.21005	2.9
337.21930	1.6
349.23950	11.3
365.23218	2.6
403.24866	2.6
421.25800	22.2
422.26169	2.6
423.27402	4.5
435.27246	5.1
437.25439	2.6
445.29385	2.4
447.27298	16.8
461.29025	3.2
503.34293	2.3
521.35120	2.5
541.35199	30.4
542.35657	2.1
559.36200	8.9
656.24017	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	15.1
65.03938	3.4
67.05510	45.8
69.03442	7.0
69.07072	19.8
69.13185	10.9
69.13609	5.9
71.04999	9.0
74.94189	2.0
79.05495	55.5
81.03420	100.0
81.07059	82.4
82.03732	2.2
83.04987	18.3
83.08616	30.3
85.02927	4.6
85.06560	3.8
87.88516	1.9
91.05483	41.5
92.05827	2.2
93.07042	39.2
95.04975	44.3
95.08614	19.6
97.02914	5.2
97.06532	19.8
97.10169	26.7
99.08087	4.7
103.05529	2.1
105.04532	2.2
105.07022	37.4
105.07675	3.2
107.04958	17.1
107.08591	29.4
108.08884	1.8
109.06515	15.5
109.10151	15.3
111.04446	16.6
111.08076	12.7
115.05460	2.5
115.07548	2.9
117.07036	12.4
119.05052	2.4
119.08582	30.3
121.06522	12.0
121.10136	17.4
123.04453	1.9
123.08067	19.9
123.11762	2.6
125.09645	25.9
128.06148	1.8
129.07016	18.1
131.08569	24.2
133.06522	6.9
133.10158	14.1
135.08043	12.1
135.11710	8.7
137.06000	2.2
137.09650	6.8
141.06984	2.3
142.07767	4.2
143.08524	8.8
144.43803	1.9
145.06497	5.9
145.10094	16.9
147.08049	14.4
147.11694	16.1
149.09633	13.2
149.13373	2.6
153.09146	4.6
153.12769	8.6
155.08624	3.3
157.06509	2.1
157.10130	18.0
159.08014	3.6
159.11716	5.7
161.09630	7.8
161.13287	2.3
163.11189	17.3
165.09065	3.5
165.12775	3.8
169.10193	4.8
171.11731	5.1
173.09668	3.9
173.13351	2.2
175.11197	13.3
177.12781	4.6
181.10114	2.2
181.12254	5.6
185.09676	2.5
185.13292	4.0
187.11188	3.3
189.11258	16.4
189.12738	3.5
191.10703	7.4
193.12230	33.9
197.09480	1.9
199.11249	2.0
203.14304	2.8
211.13237	2.4
219.13837	6.7
223.13307	4.5
227.12718	12.8
227.18016	2.7
229.14391	3.3
245.18979	3.0
249.14862	5.9
250.15147	2.1
254.01756	2.3
255.17494	4.4
267.15903	98.5
268.16318	4.3
269.17505	3.9
271.17227	1.9
273.15564	3.2
273.18494	31.8
275.20370	2.0
283.15265	2.3
291.19562	48.2
292.19980	3.6
309.17358	2.6
309.20346	9.4
313.21490	2.8
347.22305	6.5
365.23242	25.0
383.24225	18.9
403.24753	4.0
435.27460	2.5
437.25497	2.2
443.28265	2.4
447.27936	6.8
461.29037	6.0
465.30151	10.4
466.31046	2.2
483.30994	7.8
521.32239	2.4
539.33643	20.9
557.34747	95.8
558.35089	10.8
575.35834	59.1
576.35852	7.7
589.37579	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.1
57.07067	2.2
64.52688	2.3
65.03936	3.7
67.05509	46.3
69.07066	32.3
69.31893	15.9
71.04986	3.7
71.08614	2.3
73.80916	2.2
77.03909	2.4
79.05492	48.9
79.05915	4.2
81.03413	8.7
81.07057	58.5
82.07362	2.0
83.04974	9.8
83.08624	8.4
85.06532	2.7
86.09723	3.3
91.05479	70.9
93.07039	50.6
95.01325	7.6
95.04964	8.9
95.08604	39.3
96.85365	2.2
97.06525	18.1
97.10170	3.7
102.94841	2.2
103.05473	4.6
105.07031	98.3
107.04937	17.9
107.08583	32.1
109.06528	6.3
109.10147	12.6
110.83505	2.0
111.08072	2.8
116.88106	2.0
117.07011	17.8
119.08582	59.4
119.09451	3.3
121.06490	3.9
121.10141	15.8
123.08028	5.8
124.99994	3.1
129.07008	7.2
130.07724	2.5
131.08562	35.6
132.92165	2.0
133.10124	52.3
135.08037	4.5
135.11690	9.8
137.09596	2.9
143.08565	9.6
145.06468	3.6
145.10144	22.6
147.08023	2.6
147.11674	26.8
149.09622	6.3
149.13268	6.3
157.10127	7.5
159.11707	17.5
161.09634	2.4
161.13286	13.1
165.09059	2.6
171.11699	8.3
173.13313	8.4
175.14841	11.2
177.12700	4.8
179.14276	9.1
183.11617	2.6
184.07303	11.9
185.13280	5.0
187.11264	2.6
195.11737	2.3
197.13197	2.7
201.12386	2.6
201.16435	3.3
231.21217	3.2
241.19452	16.4
257.19009	8.0
259.20554	24.3
260.20929	3.1
275.20059	63.4
276.20267	2.5
277.21643	4.0
279.16190	2.6
291.19617	2.8
293.21033	4.5
315.23199	11.2
333.24258	52.7
334.24588	4.6
349.23688	49.6
350.24246	3.1
355.74338	2.2
408.65485	2.2
457.99933	2.4
479.47736	2.4
507.36853	3.5
568.04016	2.4
604.18304	2.9
607.43561	100.0
608.44037	16.8
625.44580	10.8
822.46930	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	10.8
57.07066	1.9
60.08172	5.1
61.02913	1.8
65.03941	4.4
67.05505	64.3
68.05838	1.2
69.03432	10.3
69.07070	33.9
69.25457	6.5
71.04980	3.5
71.07362	3.2
77.03938	1.0
77.96938	0.9
79.05495	46.0
79.12441	0.8
80.86224	1.0
81.03429	5.7
81.07058	53.2
83.04984	8.2
83.08622	11.8
85.02891	1.4
85.06561	1.4
86.09212	1.6
86.09707	24.3
91.05481	33.9
93.07045	47.4
94.07396	1.0
95.04972	10.1
95.08607	35.1
97.02892	8.4
97.06514	4.6
97.10174	13.6
98.98466	3.8
99.08096	1.4
103.05511	1.0
104.10732	1.6
105.04517	1.4
105.07026	20.9
107.04961	6.8
107.08598	27.6
108.08923	1.0
109.06528	3.7
109.10154	21.1
111.08086	2.7
115.05456	1.5
117.07008	11.4
119.04951	1.3
119.08582	20.0
119.09428	1.0
121.06490	3.3
121.10136	14.0
123.04400	1.0
123.08071	3.6
123.11692	3.4
125.00007	19.0
125.09637	8.1
127.07574	1.7
128.06189	1.9
129.06990	2.6
131.08572	15.1
133.06496	3.4
133.10114	9.7
135.08035	5.7
135.11678	8.2
137.09622	2.4
143.08546	2.7
145.10114	9.0
147.08049	6.0
147.11703	4.9
149.09641	2.3
149.13254	5.2
151.11163	1.6
154.50696	0.9
157.10138	2.4
159.11696	5.1
161.09650	2.6
161.13268	3.4
162.10362	1.1
163.11153	1.9
163.14880	2.2
171.10298	1.0
171.11716	3.1
173.13255	4.0
175.11127	2.2
175.14885	0.9
177.12698	1.8
184.07346	81.5
185.13330	1.2
187.14828	1.7
189.11220	4.0
189.12738	1.1
193.12296	2.1
195.13789	1.1
199.14879	1.1
205.12277	1.8
211.13219	1.7
223.13283	18.1
227.12767	3.5
227.18018	1.1
243.21088	2.2
245.19165	1.6
249.14830	3.4
253.14293	1.4
255.17442	1.8
259.20477	1.0
261.22125	9.3
263.20297	1.1
273.18503	16.8
274.18811	1.7
291.19540	100.0
292.19888	7.1
309.20294	1.1
317.24753	2.0
335.25793	97.4
336.26160	7.8
347.22073	2.7
365.23233	51.5
366.23547	3.7
545.38239	2.9
607.43372	2.1
625.44586	83.1
626.45068	11.0
704.48694	1.5
772.54565	1.6
822.57446	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	4.5
67.05496	1.7
67.48174	0.4
68.99798	0.6
69.03424	1.5
69.61845	0.5
71.04999	0.8
71.29984	0.8
75.04488	2.7
77.03933	0.7
78.04710	2.2
79.05482	4.3
81.03412	1.8
81.07038	0.7
81.36209	0.4
82.04180	1.2
83.04965	0.6
84.04493	0.5
85.02899	4.6
86.45110	0.5
87.66295	0.4
89.03912	1.0
91.05482	8.7
93.03400	8.8
93.07051	3.4
94.04160	0.6
95.04963	4.4
97.02924	0.7
97.06541	2.9
103.05466	15.1
105.03387	1.4
105.04543	0.5
105.07038	5.4
106.04170	13.9
107.04969	8.2
109.06499	1.3
110.03633	2.1
110.50246	0.4
111.04453	1.4
114.03168	0.5
115.05459	4.0
116.06281	0.6
117.07032	3.0
118.04176	3.4
119.04948	2.3
119.08613	0.7
120.05718	0.6
121.02866	0.5
121.06500	16.9
122.03684	0.6
123.04435	4.4
123.08058	1.0
124.05222	1.9
125.05996	7.1
127.03922	0.6
128.06259	0.7
129.07010	1.3
130.04141	0.8
131.04929	13.5
131.08548	0.7
132.05681	1.0
133.02838	1.1
133.06487	5.6
134.03604	2.8
135.04398	1.6
135.08067	2.0
137.02313	0.5
137.05968	5.2
138.03085	1.1
138.06767	0.7
139.03918	0.9
139.07565	1.3
140.04706	0.6
141.06978	1.2
142.02612	1.3
143.04916	1.1
144.05678	2.1
144.06659	0.6
145.06493	4.5
146.03610	0.7
147.04416	0.8
147.08035	1.9
148.05167	8.2
149.05978	27.8
150.06290	0.8
151.03914	2.6
151.07570	1.8
152.04665	1.7
153.05450	3.6
153.09097	7.4
155.07034	0.8
157.06558	0.6
159.08051	1.6
160.05156	1.3
161.05974	6.9
162.06506	0.5
162.07700	0.7
163.03893	1.2
163.07536	14.4
165.05460	1.6
165.09131	0.8
166.06235	1.2
167.07034	36.9
168.07370	1.9
171.04337	0.6
171.06523	1.7
172.05272	0.5
173.05963	4.2
174.06718	0.5
175.07573	2.3
176.04683	1.5
177.05460	18.3
177.08904	0.5
178.06036	0.9
179.07060	0.9
179.08501	0.7
180.08749	0.6
181.04959	54.0
181.08542	14.9
182.05298	1.6
185.05952	0.7
187.07494	2.3
189.05417	1.4
189.09164	0.9
190.06290	1.1
191.07019	55.5
192.07411	2.0
193.04884	1.2
193.08614	3.1
195.06522	3.3
201.05450	1.5
203.03377	0.8
203.06940	2.4
205.06827	0.7
205.08644	3.1
207.06439	1.1
207.08228	0.6
207.10153	1.7
209.08080	100.0
210.08430	3.0
217.08589	2.1
219.06447	0.7
219.08218	0.8
219.10033	2.7
221.07942	1.2
225.07559	0.9
232.07211	0.6
233.07997	4.1
235.07523	1.3
235.09631	4.6
245.08092	1.4
247.07472	0.7
252.07883	0.7
257.08139	0.4
263.09164	15.9
265.08447	1.0
267.10089	1.9
269.07877	0.5
279.10165	0.8
282.20255	0.5
283.09488	0.5
292.07123	0.7
293.08035	0.7
295.09714	0.8
297.11078	0.7
307.09595	0.8
324.09918	0.6
325.07050	0.6
325.10684	1.8
327.12305	0.7
339.12186	0.7
353.09790	0.5
357.13345	3.8
359.14810	0.9
367.11630	1.0
369.13452	0.5
371.14792	0.7
372.14465	0.5
381.13223	0.8
385.12656	5.5
387.14362	0.6
399.14374	2.6
405.21414	0.5
417.15433	19.8
418.15683	1.1
465.12009	0.8
609.23206	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02898	0.5
65.03951	3.2
67.05493	1.5
69.03409	1.6
69.04433	0.9
69.04831	4.4
71.45819	0.4
74.65235	0.5
75.04472	1.9
78.04700	1.5
79.05495	3.5
81.03403	1.9
82.04202	1.0
83.04949	0.7
85.02911	5.9
89.03927	0.6
89.06014	0.5
91.05489	7.7
93.03417	7.4
93.07023	2.8
95.04975	3.5
97.02875	1.2
97.06528	2.4
98.22633	1.2
99.04439	0.5
103.05477	12.9
105.03423	1.0
105.04523	1.3
105.07029	5.3
106.04178	11.9
107.04964	7.1
109.02814	0.6
109.06493	0.6
109.96710	0.6
110.03641	0.9
111.04443	2.7
115.05437	3.6
117.03365	0.8
117.06972	3.2
118.04192	2.1
119.04948	1.5
121.06506	15.1
122.03671	0.7
123.04414	3.2
124.05227	1.1
125.05992	6.4
127.03838	0.6
129.07008	1.2
130.04121	0.7
131.04932	13.1
131.08482	0.6
132.05624	0.8
133.02832	1.4
133.06477	6.4
134.03610	2.1
135.04491	1.2
135.08070	1.6
137.05960	5.0
138.03091	0.8
138.06366	0.6
139.07542	2.4
141.06976	0.7
142.02603	1.0
143.04936	1.4
144.05670	1.1
145.02878	1.2
145.05028	0.5
145.05418	0.6
145.06482	4.5
147.04373	1.5
147.08043	1.2
148.05200	7.6
149.05984	25.7
150.06375	0.7
151.03920	2.4
151.07536	2.0
152.04675	1.2
153.05447	2.9
153.09096	6.7
155.06003	0.8
159.08063	1.3
160.05156	0.8
161.06006	5.9
163.03868	1.6
163.07547	15.4
164.07925	0.5
165.05402	1.2
167.07047	37.3
168.07330	0.9
171.06532	0.7
173.05997	4.1
175.07567	2.3
176.04681	2.3
177.05476	17.6
178.05768	0.9
179.07030	1.3
181.04964	41.3
181.08565	15.7
182.05269	0.7
187.07593	1.8
189.05472	0.7
190.06281	0.7
191.07031	52.8
192.07422	1.9
193.04976	0.9
193.08620	3.7
195.06544	3.6
195.08080	0.7
201.05540	0.8
203.07091	1.5
205.08562	2.5
207.06480	1.0
207.08290	0.7
207.10178	1.6
209.08090	100.0
210.08452	3.9
217.08569	2.0
219.08287	0.7
219.09998	2.7
221.08000	1.0
233.07898	2.8
234.06685	0.8
235.07500	0.9
235.09679	3.3
235.11771	0.5
245.08038	1.5
249.08958	0.6
263.09164	15.5
265.08472	0.6
267.10107	1.2
272.86728	0.6
281.08197	0.7
287.05649	0.8
292.07321	0.5
295.09363	0.9
309.07895	0.5
309.11310	0.6
313.10788	0.7
325.10635	2.0
327.12186	0.8
337.10666	1.0
339.12314	0.8
354.10696	0.7
355.11606	0.9
357.13528	3.6
359.14917	0.7
367.11954	0.8
369.12982	0.9
381.13522	0.7
385.12811	6.9
387.14111	1.1
399.14420	2.7
417.15427	14.6
418.15622	0.9
538.52533	0.6
597.23444	0.6
609.23291	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	6.6
65.03906	1.9
66.32304	0.5
67.05505	37.7
67.77130	0.6
68.05820	0.9
69.03431	4.5
69.07069	10.3
71.01319	2.2
71.04980	4.4
71.30714	0.7
73.02894	2.5
79.05495	38.5
79.90464	0.6
80.05793	0.9
81.03419	39.9
81.07058	25.4
83.04986	14.7
83.08620	14.3
85.02436	1.1
85.02906	18.6
85.06540	3.0
85.42249	0.6
91.03960	4.3
91.05483	25.7
92.05778	1.0
93.07046	41.8
94.07367	1.2
95.04963	17.6
95.08610	8.1
97.02904	5.8
97.05996	0.8
97.06534	10.4
97.10169	9.3
99.04400	1.1
99.08070	2.1
105.04533	0.9
105.06382	1.0
105.07028	13.7
107.04961	5.2
107.08594	24.4
109.06516	3.4
109.10162	4.7
111.04434	1.3
111.07420	0.8
111.08077	7.1
113.05968	2.2
115.05399	1.2
117.07012	4.8
117.40945	0.6
119.07783	1.0
119.08582	14.7
121.06489	1.9
121.10136	8.3
122.10469	0.7
123.08025	2.3
123.11687	0.6
125.09574	2.1
127.03889	1.6
129.06993	6.4
131.08571	6.7
133.06497	1.6
133.09398	0.6
133.10132	7.9
135.08047	1.5
135.11691	36.6
136.11989	1.2
137.09563	2.4
142.07808	1.4
145.04974	1.8
145.10100	7.0
147.08025	2.3
147.11679	6.9
149.09605	3.8
153.12753	1.2
157.10133	7.8
163.06026	1.7
163.11194	5.6
165.12747	1.7
175.11191	8.6
181.12195	6.8
193.12233	27.1
194.12619	0.9
199.13222	1.2
211.13290	33.1
212.13618	0.8
249.14809	1.1
255.15913	94.7
256.16293	4.9
267.15897	20.0
268.16254	1.5
285.16956	25.0
286.17331	1.0
291.19366	0.8
403.24695	0.8
421.25836	2.6
429.26880	1.0
447.27414	45.1
448.27606	4.0
465.28482	100.0
466.28864	9.9
609.32977	1.0
683.72394	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	2.8
61.02921	2.9
65.03941	3.6
66.13450	1.8
67.05503	89.3
67.72629	1.7
69.03436	6.0
69.07076	30.8
71.05000	9.8
71.30299	3.0
73.02939	2.4
79.05496	65.0
79.64819	2.0
79.65304	1.9
81.03422	100.0
81.07063	72.1
83.04994	12.3
83.08618	38.7
85.02913	7.3
85.06559	5.8
87.79453	1.9
91.05488	58.5
93.07046	48.1
93.26412	2.1
94.07381	1.8
95.04976	40.8
95.08614	30.8
97.02924	5.3
97.06533	17.7
97.10181	16.6
99.08089	3.4
105.07032	46.5
107.04937	17.9
107.08592	42.5
108.08978	3.6
109.06525	13.2
109.10159	43.9
111.04466	5.3
111.08080	13.5
115.05481	4.3
117.07011	19.2
119.08582	34.7
121.06483	10.4
121.10148	23.3
123.08073	10.5
123.11718	3.2
125.09647	16.2
128.06216	2.4
129.07007	12.3
131.04950	2.9
131.08572	29.6
133.06465	6.4
133.10144	23.6
135.08060	10.5
135.11676	16.5
137.09622	5.5
141.07033	3.7
142.07814	6.1
143.08574	6.7
145.06523	3.1
145.10121	18.1
145.94560	2.0
147.08055	9.2
147.11725	16.8
149.09624	14.9
149.13281	4.8
151.11249	5.1
153.12785	3.2
155.08676	3.0
155.10666	2.3
156.47589	2.2
157.06517	2.9
157.10121	20.2
159.11734	7.2
161.13300	4.2
163.11243	8.3
165.12802	5.4
169.10178	3.9
171.11710	6.3
173.09702	2.8
173.11789	9.6
173.13196	4.6
175.11224	14.7
175.14790	2.2
177.12729	4.6
183.11725	4.9
184.07402	4.4
185.13280	4.4
187.11270	2.5
189.11243	5.3
189.12830	2.5
193.12239	37.1
195.13771	2.4
197.13254	2.5
199.14885	3.9
205.12355	3.3
211.13226	4.5
217.16000	4.3
223.13240	3.9
227.12807	8.3
229.14375	32.8
245.13844	2.7
249.14922	4.1
255.15782	12.7
257.19019	5.5
267.15912	91.6
268.16171	4.0
269.17392	12.7
273.15402	1.9
273.18536	8.4
275.20071	24.1
283.15765	2.5
285.16925	7.5
291.19647	6.4
293.21146	5.3
349.23767	16.8
367.24783	20.2
369.24249	5.7
387.25198	4.2
403.24615	3.3
405.26630	2.9
421.25888	41.5
435.27872	2.8
443.27795	14.0
444.28607	2.5
447.27563	18.9
461.29037	55.4
462.29147	4.6
465.28510	31.9
466.28577	3.6
467.31595	2.2
479.30249	2.7
485.32184	2.0
493.31592	20.2
494.31973	2.5
519.32770	2.6
523.34222	2.2
541.27600	2.5
541.35321	44.4
542.35449	9.9
557.35272	2.6
559.36292	49.9
560.36383	7.6
591.35309	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02940	5.9
63.24697	4.9
67.05508	92.3
69.03436	10.9
69.07076	30.9
69.85795	20.5
71.04981	4.8
71.08650	9.5
71.67070	4.8
79.05497	86.2
81.03428	9.3
81.07055	100.0
83.04974	11.8
83.08629	14.0
85.02882	5.3
91.05484	73.0
93.07043	73.8
95.04989	16.9
95.08609	58.1
97.02900	6.1
99.08128	6.1
105.07028	54.4
106.82680	5.2
107.05003	7.9
107.08594	54.3
109.06503	9.6
109.10175	26.8
117.07019	25.1
119.08589	52.5
121.10149	34.6
123.08134	6.1
123.11736	5.9
129.05463	5.7
129.07062	8.2
129.73523	4.8
131.08514	26.7
133.10147	31.3
135.11717	22.1
138.29004	5.1
143.08582	11.5
145.10112	21.0
147.11684	23.6
149.13275	9.5
157.10165	8.1
159.11703	25.3
161.13336	13.4
171.11716	9.3
173.13326	12.0
185.13191	7.7
201.16232	5.5
241.19579	6.7
257.18988	7.3
259.20532	17.5
261.22321	13.6
275.19974	11.9
293.21118	61.5
333.24353	21.5
335.25739	96.9
336.26144	8.3
349.23727	9.9
367.24750	20.1
381.77917	5.4
392.70309	5.2
529.38458	8.3
569.41724	6.3
593.45776	6.2
627.46259	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.5
65.03935	4.6
67.05507	97.4
68.05850	1.9
69.03432	8.2
69.07067	30.8
71.04989	5.4
73.02930	1.6
73.06499	1.3
79.05493	80.1
80.05811	1.5
81.03429	10.5
81.07056	100.0
81.87376	1.2
83.04963	8.5
83.05376	1.0
83.08621	13.2
85.02900	6.7
85.06545	4.2
86.09713	2.6
91.04887	1.6
91.05480	64.2
93.07043	79.3
94.07370	1.8
95.04970	11.7
95.08607	62.7
96.08950	1.7
97.02915	3.4
97.06527	11.3
97.10164	7.0
99.04424	2.3
99.08096	2.7
103.05481	1.3
105.04533	2.3
105.07028	47.3
107.04952	4.5
107.08595	44.1
107.09229	1.4
107.66504	1.2
109.06527	7.7
109.10152	26.9
111.04468	1.4
111.08086	4.7
115.05440	2.0
117.07017	22.0
119.08580	32.8
121.06508	4.3
121.08865	1.3
121.10149	28.9
123.08076	5.2
123.11710	4.7
125.00002	1.7
125.09628	3.3
127.03896	2.8
128.06229	1.6
129.05502	1.9
129.06984	7.8
130.07790	1.6
131.08563	28.6
133.10130	23.5
135.08052	3.4
135.11694	17.8
137.09653	2.9
137.13348	1.5
141.07004	2.2
142.07700	1.4
142.27612	1.1
143.08546	7.0
144.09247	1.2
145.05040	1.2
145.10123	19.5
146.10406	1.5
147.08047	2.2
147.11691	14.6
149.09599	9.2
149.13277	8.2
151.11209	1.8
155.08510	3.1
156.09303	1.3
157.10095	5.5
159.11681	18.9
161.13255	7.8
163.11180	2.7
163.14856	3.7
165.12762	2.4
169.10110	2.6
171.11745	3.5
173.04430	2.3
173.11792	2.3
173.13283	7.8
175.14839	2.8
177.12776	3.2
177.16290	1.2
179.14229	1.9
183.11742	3.8
184.07368	5.3
185.13260	4.9
187.14824	3.6
189.11253	1.6
195.11839	2.1
195.13799	4.2
197.13266	3.2
199.14836	2.1
201.12859	1.7
201.16443	2.2
203.14426	1.8
219.17506	1.8
227.12796	2.3
229.14270	5.5
235.16838	1.5
239.17865	1.7
243.21043	3.2
247.20578	1.7
255.15898	5.1
257.19098	6.4
261.22116	9.4
267.15988	2.6
269.17477	17.0
275.20041	18.6
277.21619	1.8
283.19199	1.9
291.19537	1.4
293.21045	1.8
309.20605	8.2
317.24783	1.8
331.22760	2.3
335.25800	95.2
336.26138	6.1
349.23697	16.9
351.25436	2.1
367.24786	1.9
413.22110	1.6
489.35507	5.9
515.37177	6.3
517.40912	1.3
529.38879	36.9
530.39111	4.1
543.40472	3.0
569.42017	16.4
570.42017	1.7
609.45111	18.1
610.44922	3.0
627.45697	4.8
825.47467	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	33.3
69.07059	11.3
69.29150	42.5
79.05492	34.8
81.07052	29.0
83.04982	7.3
83.08604	6.7
86.09701	41.2
91.05473	47.2
93.07046	34.3
95.04964	5.8
95.08607	23.3
97.10172	7.4
105.07047	51.7
105.37325	6.1
107.08607	21.6
109.10186	13.7
117.07049	16.5
119.08598	27.1
121.10168	15.4
124.99982	31.3
129.06993	12.7
131.08575	24.2
133.10147	20.0
135.11649	9.3
137.50774	5.9
138.89845	6.5
139.14095	4.9
143.08614	10.5
145.10118	24.9
147.11684	16.8
157.10100	12.9
159.11768	16.2
169.10161	8.5
169.67938	6.3
171.11731	16.5
183.11697	15.5
184.07326	100.0
197.13356	5.6
259.20676	6.4
320.88776	5.8
333.23889	7.7
350.00659	8.0
402.22739	8.6
536.40997	6.9
609.45190	53.9
749.98743	7.0
848.40344	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	2.4
61.02916	3.3
65.03936	3.6
66.44812	0.8
67.05505	77.6
67.38294	0.8
69.03430	8.8
69.07066	24.5
71.04986	4.3
71.08603	1.1
71.44057	0.9
73.02914	1.2
75.58591	1.0
79.05492	75.8
80.05796	1.1
81.03419	6.8
81.07056	71.5
82.07383	1.3
83.04967	6.7
83.08618	24.4
85.02902	5.7
85.06541	3.2
86.09700	3.0
91.03947	1.9
91.05477	43.6
92.05818	1.1
93.07042	68.6
94.07343	1.8
95.04954	7.3
95.08605	50.6
97.02892	3.8
97.06532	7.4
97.10168	40.6
98.10492	1.2
98.87820	1.0
99.04481	1.2
99.08089	2.4
103.05450	1.2
105.03410	1.3
105.04514	3.1
105.07028	41.7
107.04946	5.3
107.08591	72.7
108.08932	2.1
109.02876	3.1
109.06518	4.3
109.10155	24.7
111.04424	0.9
111.08097	3.0
115.05431	2.6
117.07009	13.8
119.06086	1.3
119.08575	26.5
121.06551	1.5
121.10136	23.4
123.08067	3.3
123.11694	8.3
124.99980	2.6
125.09627	32.7
127.03898	2.8
129.06995	4.5
130.07796	2.3
131.08574	19.1
133.10127	20.9
134.22276	0.9
135.08034	5.4
135.11691	14.1
137.09616	1.7
137.13275	1.3
141.06978	1.5
143.08560	6.2
143.10638	1.5
145.06589	1.1
145.10114	22.3
147.08043	2.1
147.11667	18.4
149.09650	8.2
149.13261	7.9
153.09088	2.1
155.08546	1.4
157.10089	5.2
159.11702	12.8
160.69890	0.9
161.09584	1.1
161.13283	5.8
163.11186	3.0
163.14845	3.2
165.12764	1.2
169.10100	2.6
171.10213	2.4
171.11681	4.0
173.13213	8.3
175.11203	1.8
175.14859	2.6
177.12761	1.3
177.16389	1.8
179.14296	1.5
181.10117	1.0
183.11661	2.9
184.07338	15.3
185.13257	4.7
187.14828	4.2
189.11232	22.5
191.14436	1.1
195.11719	1.2
197.13194	3.0
199.14854	2.2
201.16321	3.2
203.14345	1.6
211.28661	1.0
213.16560	1.2
219.17442	3.0
227.12756	42.6
228.13068	1.6
229.19516	1.6
237.16444	1.1
239.17973	2.9
241.19562	1.1
243.21136	3.4
245.13817	3.7
245.21988	1.0
247.20532	2.0
257.19016	9.7
259.20526	4.1
261.22131	16.9
267.15897	2.7
275.20050	45.1
276.20374	2.9
277.21622	2.1
293.21167	2.7
315.22894	1.3
317.24835	3.2
329.17404	5.9
331.22760	5.3
333.24274	4.1
335.25797	100.0
336.26041	6.6
349.23746	44.2
350.24072	2.5
351.25119	1.8
367.29974	1.3
389.18008	3.8
413.30658	1.2
431.31509	1.4
487.34088	2.5
505.35202	21.7
506.35666	1.4
515.37061	1.1
517.40198	1.6
519.28870	1.9
535.41187	1.4
545.38678	1.7
547.25183	1.4
555.40393	1.4
591.44177	1.2
609.45129	82.2
610.45367	10.1
627.45941	12.8
628.46533	1.9
644.53375	1.1
649.39044	2.7
825.47534	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	3.9
61.02930	12.3
65.03935	1.5
67.05508	78.4
69.04292	11.9
69.07072	5.9
71.04987	2.6
71.08633	18.2
73.02921	4.7
79.05502	2.0
81.03418	1.4
81.07056	19.9
83.08614	11.3
85.02904	14.0
85.06538	3.1
85.10184	9.3
86.09719	5.6
91.03970	7.2
91.05499	5.3
93.07058	3.7
95.08604	19.0
97.02894	6.6
97.10168	3.8
104.68867	1.3
107.08614	1.9
109.10159	77.8
111.08070	1.5
111.37054	1.3
119.08596	5.5
123.11748	2.4
125.00011	4.9
125.00935	1.4
127.03914	1.8
130.52472	1.4
137.09578	4.2
145.04932	3.6
150.24155	1.5
155.10664	3.5
163.06021	4.8
173.11725	24.2
179.25711	1.6
184.07372	15.9
229.14357	100.0
230.14749	4.5
239.23660	1.5
257.24957	2.6
296.94699	1.4
313.27356	77.5
314.27716	5.6
397.60379	1.4
414.50363	1.6
467.37332	64.0
468.37299	6.8
549.94543	1.5
826.48700	2.7
827.48694	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5672
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08165	4.0
61.02929	6.8
65.03925	5.8
67.05504	100.0
68.05836	3.6
69.03435	11.3
69.07072	32.5
71.03128	3.7
71.03448	2.7
71.04993	5.0
71.08638	10.6
73.02902	3.6
79.05495	69.1
80.05804	2.4
81.03397	12.3
81.07057	96.6
82.07398	5.6
83.04965	14.3
83.08617	19.2
85.02911	10.2
85.06544	5.4
86.09702	15.1
91.03975	4.4
91.05483	49.1
93.07043	78.8
95.04964	10.6
95.08607	53.6
96.08957	2.1
97.02906	7.0
97.06541	10.4
97.10161	12.9
98.22739	2.2
99.08101	7.2
105.07034	35.5
105.07687	3.9
107.04942	3.0
107.08595	37.0
109.06527	4.6
109.10160	24.6
110.10504	2.7
111.08086	9.8
111.31017	2.1
117.06992	13.8
119.08585	25.7
121.06506	2.3
121.10126	23.5
123.08100	2.7
123.11710	7.1
125.00046	12.5
125.09618	5.0
127.03898	6.5
129.05418	3.0
129.06981	5.9
131.08598	21.3
133.10117	16.5
134.10487	2.4
135.11710	16.7
136.12065	2.5
137.09583	4.3
143.08592	6.8
145.10107	14.0
147.11711	14.5
149.09589	4.0
149.13307	15.5
151.11191	9.9
155.08566	2.8
157.10132	6.0
159.11679	11.7
161.13263	10.4
163.11205	6.5
167.57884	2.1
171.11592	3.5
173.13179	7.3
177.12715	4.9
184.07349	47.6
185.13255	5.6
187.14906	3.3
195.13847	7.4
199.14861	2.6
201.16380	2.2
213.15050	2.8
214.17282	2.1
215.17719	2.2
221.13542	2.2
227.12703	5.9
227.18387	2.2
229.14366	6.2
244.67937	2.4
257.18991	4.0
259.20596	2.6
261.22165	6.0
267.15836	3.4
269.17514	30.4
275.19986	7.5
277.21735	5.6
293.21204	2.6
313.27563	2.7
335.25778	40.8
336.26132	8.3
337.27298	17.8
349.23773	7.2
351.25302	8.8
363.37656	2.6
519.28821	4.6
529.38904	51.0
530.38953	6.8
531.39728	3.3
549.26312	6.2
611.46423	16.8
629.47137	3.5
637.68854	2.7
729.24396	2.4
809.46967	3.0
827.34393	4.9
827.49127	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49717	0.4
57.83168	0.4
59.05000	1.1
61.02924	4.0
62.50536	0.4
65.27426	0.3
67.05500	3.1
69.03432	3.4
69.04977	3.6
69.07072	1.5
71.01353	0.6
71.04997	1.5
73.02914	2.8
79.05496	3.8
81.03417	3.7
81.07055	4.9
83.04998	1.3
83.08627	1.0
85.02906	3.4
85.06558	0.6
86.09719	0.9
87.04471	0.9
91.03963	2.3
91.05473	3.1
93.07042	3.5
95.04973	1.6
95.08623	1.7
97.02894	3.5
97.06549	0.9
97.10194	0.9
99.04466	0.7
101.02401	1.2
105.07030	2.7
107.04965	0.7
107.08617	1.7
109.02917	0.9
109.06563	0.5
109.08685	0.4
109.10133	0.8
111.04478	0.8
111.08112	0.6
117.07003	0.5
119.08614	1.7
121.06485	0.4
121.10156	1.7
123.08072	0.9
125.00000	0.6
125.09611	0.5
127.03933	1.3
129.07045	1.2
131.08591	1.9
133.10130	1.7
145.10240	0.5
147.11732	1.3
149.09575	1.8
157.10139	0.9
163.11134	0.5
164.42964	0.4
175.11229	1.5
184.07349	2.2
185.04276	0.9
193.12321	1.3
209.58961	0.4
220.26840	0.4
225.14934	0.8
231.71260	0.4
236.32579	0.4
239.87582	0.4
243.08415	3.2
253.14104	0.4
280.49719	0.4
283.15155	3.1
301.09338	0.5
313.09082	0.4
319.18829	0.5
339.17886	1.0
349.19836	3.3
371.16931	0.4
431.72479	0.4
439.19760	0.5
441.21310	0.7
451.19122	0.6
453.21039	0.5
469.20511	0.6
477.02100	0.5
478.21585	0.4
501.23016	15.4
502.23407	1.0
567.27893	5.1
568.28577	0.7
573.25458	1.0
633.70825	0.5
711.36017	0.5
737.36884	0.5
827.43909	100.0
828.44244	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08168	1.0
61.02925	4.3
67.05507	5.7
69.03436	2.3
69.07066	3.3
71.04998	0.7
71.07352	0.8
71.08641	0.5
73.02904	2.7
79.05500	4.3
81.03438	1.7
81.07069	5.0
83.04991	0.6
83.08623	1.0
85.02896	4.0
86.09693	4.1
91.03954	2.8
91.05478	5.5
93.07044	5.8
95.04980	1.2
95.08612	3.6
97.02910	2.6
99.04443	0.8
100.64601	0.5
101.02408	1.2
105.07040	5.8
107.04971	1.0
107.08605	2.7
107.20777	0.5
109.02882	0.8
109.10152	2.6
112.15417	0.6
117.07018	1.3
119.08584	3.8
121.10173	1.4
125.00001	3.3
127.03949	1.4
129.07018	0.8
131.08589	1.3
133.10158	3.0
135.11739	0.8
143.08638	0.8
145.10161	0.6
147.11748	1.2
149.09648	0.7
159.11766	1.3
161.13228	0.6
171.11679	0.5
173.11787	0.7
173.13293	0.6
179.14366	0.9
184.07341	11.8
185.04227	0.7
185.07729	0.8
203.05318	0.7
212.35361	0.5
229.14439	1.9
230.14687	0.8
243.08434	4.4
275.20145	0.7
301.09048	1.8
313.27313	1.4
314.27805	1.1
315.10486	0.8
315.19336	4.3
371.22284	1.0
465.20990	0.7
467.37292	0.7
468.37860	2.1
533.27136	9.4
534.27356	0.6
535.28754	8.6
536.29156	0.8
593.73761	0.5
605.29669	1.2
633.32623	0.6
689.38647	0.6
827.49103	100.0
828.49512	17.6
828.61987	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	6.1
64.77169	0.3
67.05507	7.0
69.03430	4.6
69.07063	2.4
71.04999	0.9
73.02917	3.8
79.05493	4.9
81.03434	2.0
81.07050	6.3
81.07457	0.5
83.05011	0.5
83.08616	0.8
85.02904	5.4
86.09715	1.3
88.56988	0.5
91.03947	2.6
91.05476	3.7
93.07056	4.4
95.05010	0.7
95.08609	4.3
97.02895	5.5
97.10191	1.0
98.22787	2.0
99.04451	1.1
101.02381	2.0
103.03953	0.6
105.07048	2.3
107.08581	2.2
109.02880	1.1
109.06541	0.6
109.10153	2.2
117.07069	0.5
119.08608	1.4
121.10181	1.3
123.11709	0.4
125.00019	1.0
125.09641	0.6
127.03939	1.3
131.08598	1.0
133.10168	0.6
135.11757	1.2
145.10170	0.7
147.11746	0.8
159.11749	0.7
166.90962	0.4
184.07333	3.6
185.04303	0.5
190.59978	0.4
202.67577	0.4
207.00705	0.5
223.13373	0.9
243.08444	2.1
291.19745	1.0
301.09100	0.5
317.24985	0.4
331.18961	1.7
335.25864	0.8
377.79092	0.4
433.78848	0.5
519.29291	11.0
520.29468	0.7
549.26868	3.6
703.31305	0.5
827.49066	100.0
828.49463	17.5
828.61359	0.3
828.65918	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04983	0.5
60.08164	0.7
61.02931	8.5
65.03947	0.5
67.05508	11.6
68.05847	0.7
69.03435	4.7
69.07069	2.3
71.01369	0.6
71.05000	0.9
71.07372	0.5
71.08633	1.0
71.30470	0.7
73.02922	6.3
73.88837	0.5
76.44217	0.5
77.80196	0.5
79.05489	5.9
79.66391	0.4
81.03417	2.7
81.07053	7.0
83.04984	0.9
83.08606	2.2
85.02908	7.4
86.09708	5.3
91.03963	4.3
91.05487	5.8
93.07037	7.2
95.04940	0.5
95.08620	6.2
96.08946	0.5
97.02904	7.3
97.10175	0.7
98.98450	0.9
99.04482	1.4
101.02403	2.2
103.03929	1.0
104.10806	0.5
105.07035	4.1
107.08595	3.1
109.02884	1.2
109.10148	5.4
110.10535	1.1
115.03963	0.9
117.07041	1.7
119.07824	0.6
119.08565	3.3
121.10172	3.1
123.08076	0.8
124.99996	3.2
127.03946	2.2
129.07002	0.6
131.08553	2.3
133.10158	0.7
135.08148	0.6
135.11703	1.2
137.09601	0.5
143.08601	1.0
145.10143	1.2
146.12926	0.5
147.11722	0.7
149.13310	0.5
159.11736	1.3
173.11838	0.9
173.13245	0.6
184.07344	14.0
184.08902	0.9
185.04240	0.9
185.07739	0.9
195.09962	0.5
203.05191	0.5
229.14368	3.2
230.14781	1.0
243.08501	3.2
273.18533	0.5
301.18063	0.6
313.27542	2.0
314.27942	1.5
321.14404	0.4
331.18768	8.1
335.25986	1.0
413.17834	0.7
467.37729	0.9
468.37781	2.4
481.53348	0.5
519.29321	8.1
549.26862	4.7
727.36908	0.6
827.49103	100.0
828.49365	18.3
854.14429	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08137	1.5
61.02931	7.6
62.56752	1.2
67.05505	15.9
69.03420	5.4
69.07059	6.4
69.34284	2.3
69.34680	6.2
71.07357	2.0
73.02908	5.1
79.05492	9.9
81.03417	2.9
81.07060	14.4
82.07397	1.6
83.08632	3.1
85.02906	7.8
86.09708	5.2
90.14118	1.3
91.03950	3.7
91.05482	9.4
93.07050	9.8
95.05010	1.8
95.08617	10.7
96.08970	1.7
97.02890	5.5
99.04491	1.6
101.02357	1.4
105.07046	5.2
107.08588	7.7
108.08871	1.4
109.06521	1.5
109.10178	4.6
117.07040	1.3
119.08586	3.3
121.10181	3.5
123.11621	1.4
125.00018	3.4
127.03959	1.8
131.08566	3.0
133.10083	3.2
135.11714	2.7
145.10107	1.3
148.63547	1.4
184.07353	14.5
185.07716	1.9
265.03897	1.6
313.17725	2.5
331.18954	4.0
337.27551	3.9
338.27737	3.1
475.44821	1.3
519.29303	9.8
532.40948	3.5
549.26508	3.0
683.54095	1.4
729.41541	2.5
809.47882	12.6
810.48413	3.2
827.49023	100.0
828.49432	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	0.3
62.06073	0.3
69.21542	0.3
69.21942	0.8
70.06595	6.7
71.08279	0.2
71.08633	1.8
74.06107	0.2
85.10190	0.6
86.06098	0.1
88.07633	10.3
89.07948	0.2
95.76352	0.1
100.47318	0.1
102.09180	2.8
106.08668	5.5
107.67979	0.1
212.23653	0.3
223.37666	0.2
230.24748	0.7
256.26334	4.1
257.26682	0.3
274.27399	100.0
275.27740	5.1
393.34457	0.1
581.53918	0.1
771.95825	0.2
783.38983	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46283	0.4
59.05014	0.8
61.02929	5.2
65.03956	0.6
67.05508	6.4
69.03432	4.2
69.07080	2.1
71.01366	0.7
71.05003	2.0
71.29156	0.8
73.02921	3.6
79.05494	5.0
81.03424	5.4
81.07064	5.4
83.05016	1.1
83.08643	1.8
85.02906	5.2
85.06566	0.8
86.09734	0.5
87.04475	1.0
91.03958	4.1
91.05471	4.6
91.05911	0.4
93.07056	4.2
95.05000	1.4
95.08611	3.0
97.02257	0.7
97.02883	5.2
97.06550	1.1
97.10220	1.4
99.04494	1.5
101.02423	1.9
105.07040	3.6
107.04960	0.6
107.08604	3.3
109.02871	0.9
109.06522	1.0
109.10148	3.3
111.08085	0.9
117.07014	0.9
119.08566	2.3
120.51254	0.5
121.10101	2.5
123.11780	0.6
125.00048	0.7
125.09681	0.9
127.03969	1.9
129.05490	0.6
129.07050	1.3
131.08546	2.3
133.10179	1.9
139.11298	0.5
145.10178	0.6
147.11780	1.5
149.09703	2.1
149.13344	0.5
157.10172	1.1
159.11774	1.2
184.07336	2.9
185.04280	0.6
193.12279	1.1
200.76958	0.5
243.08357	3.9
267.15976	1.1
283.15170	3.3
301.09106	0.9
303.04980	0.8
339.18015	0.8
351.21622	1.9
355.95990	0.5
407.23914	0.7
413.18082	1.9
453.07101	0.7
469.20786	1.5
501.23077	13.1
502.23175	0.7
521.21826	0.8
569.29303	8.9
569.37445	0.7
570.29938	0.9
708.19659	0.5
739.39008	5.4
740.39178	1.1
741.72980	0.5
811.41827	0.6
829.45636	100.0
830.46149	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	2.6
67.05500	6.7
69.03436	1.3
69.13393	3.9
69.13811	7.4
78.12035	1.1
79.05502	2.9
80.74361	1.3
81.07066	4.2
85.02897	1.7
86.09731	2.7
93.07056	3.6
94.19772	1.3
95.04986	1.5
95.08617	2.2
104.67261	1.2
105.07111	1.6
107.08607	1.7
121.10187	1.4
133.10077	1.2
139.56165	1.2
142.60965	1.6
147.11740	1.7
152.22874	1.3
155.20267	1.2
155.37695	1.3
156.18921	1.4
184.07347	6.9
198.48505	1.4
380.03082	1.3
585.01556	1.4
790.75000	1.4
829.48962	100.0
830.49164	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08135	0.4
61.02929	4.3
65.03941	0.7
67.05508	4.7
68.08331	0.4
69.03439	3.3
69.07070	1.3
69.68954	0.4
71.01358	0.4
73.02918	3.7
76.19701	0.3
79.05500	4.1
81.03434	1.1
81.07050	5.3
82.10429	0.4
85.02912	4.5
86.09716	1.2
87.04475	0.7
91.03944	3.0
91.05476	2.7
93.07041	4.0
95.08604	3.7
97.02905	4.6
97.06516	0.5
99.04491	0.7
101.02384	1.5
105.07021	2.1
107.08608	2.0
109.02860	0.5
109.10177	1.7
117.07046	0.8
119.08596	1.4
121.10180	1.3
125.00038	1.2
127.03940	1.2
131.08586	0.9
132.16322	0.4
133.10162	0.7
135.11694	0.8
139.03938	0.3
145.10107	0.5
147.11697	0.5
149.13229	0.5
159.11746	0.5
184.07352	4.4
203.05324	0.6
243.08548	1.7
258.25778	0.4
325.79315	0.4
333.20435	2.6
335.25848	0.7
418.80240	0.4
439.18875	0.4
519.29315	7.3
520.29675	0.6
551.28339	2.5
829.50684	100.0
830.51001	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08171	0.6
61.02924	3.8
63.69921	0.5
67.05507	3.2
69.03420	2.4
69.07069	1.4
70.01130	0.4
70.52959	0.4
71.07387	0.7
71.30499	0.9
73.02921	3.5
76.08926	0.4
79.05495	5.3
81.03421	1.7
81.07063	3.8
83.08645	1.0
85.02898	4.3
86.09701	3.8
87.10042	0.6
91.03945	2.3
91.05476	4.7
93.07043	5.1
95.05018	0.8
95.08609	3.0
97.02885	3.3
98.98483	0.6
99.04446	0.7
101.02406	2.0
104.10744	0.6
105.07042	3.4
107.08599	2.7
109.02937	0.4
109.10178	1.3
117.05576	0.5
117.07030	0.8
119.08553	2.7
121.10180	1.7
125.00007	3.0
127.03928	1.3
129.05554	1.1
131.08629	1.5
133.10155	2.5
135.11717	1.2
143.08588	0.8
145.10159	0.7
147.11728	1.6
149.13322	0.5
159.11745	0.6
161.13219	0.8
168.28474	0.5
171.11751	0.9
173.13312	0.5
175.14955	0.5
184.07347	11.4
185.04288	1.0
185.07756	1.1
185.13449	0.7
201.03934	0.4
203.05219	0.5
243.08395	3.4
259.20529	0.5
299.19775	0.5
301.09021	1.6
313.09036	0.9
315.10480	1.4
317.20856	0.9
325.98419	0.4
326.50473	0.5
336.32278	0.5
341.05960	0.5
355.13925	0.5
357.15332	0.6
373.23746	0.6
385.18573	0.9
430.98593	0.5
437.21402	0.6
457.21075	0.6
465.21072	2.1
495.22275	0.6
525.23236	1.9
535.28815	15.7
536.29224	1.6
607.30768	1.4
621.32013	0.5
635.34442	0.6
721.79779	0.5
759.42401	0.9
829.50684	100.0
830.50995	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08173	1.0
61.02927	6.2
65.03968	0.5
67.05506	5.2
68.93568	0.4
69.03436	4.1
69.07079	1.7
69.87370	0.3
69.93449	1.5
71.01393	0.5
71.05013	0.5
72.64933	0.3
73.02926	5.2
77.03897	0.5
79.05495	4.9
81.03439	1.9
81.07061	6.1
83.05003	0.6
83.08634	1.1
85.02911	6.9
86.09706	5.3
87.04477	0.7
87.10073	0.5
91.03950	3.5
91.05475	3.5
93.07057	5.7
95.04995	1.1
95.08601	4.8
97.02897	4.8
97.10188	0.5
98.98475	0.7
99.04468	1.5
101.02382	1.9
104.10756	0.5
105.07035	2.3
107.08600	2.5
109.02921	1.2
109.10181	2.0
111.04450	0.4
117.07021	1.0
119.08599	1.9
121.10184	2.0
125.00017	3.6
125.09664	0.4
127.03944	2.1
131.08577	1.3
133.10158	1.2
135.11708	1.1
145.05003	0.7
145.10182	1.4
147.11694	1.1
149.13312	0.5
161.09560	0.4
161.13278	0.4
178.72412	0.3
184.07355	18.4
185.04298	0.8
185.07683	1.9
203.05220	0.6
235.90614	0.4
236.38141	0.4
243.08357	2.3
278.86005	0.4
301.09064	0.6
333.20377	4.1
335.25943	0.6
465.21045	1.2
474.48755	0.4
500.25620	1.2
519.29285	9.3
520.29645	0.6
551.28143	3.1
555.02716	0.5
743.43292	1.4
744.43695	0.5
787.57733	0.4
829.50696	100.0
830.51019	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08163	1.1
61.02932	5.0
66.56657	0.6
67.05504	6.7
69.03432	3.4
69.07076	2.1
69.38355	1.1
69.38758	4.0
69.84564	0.6
73.02925	3.1
73.67238	0.6
78.27679	0.7
79.05495	5.1
81.03427	1.8
81.07055	7.3
83.05005	0.9
83.08636	1.0
85.02907	4.7
86.09701	6.1
86.10079	0.6
91.03948	3.7
91.05489	3.1
93.07042	4.2
95.05005	1.1
95.08598	3.6
97.02889	4.7
98.22684	1.3
98.23286	1.2
101.02394	1.9
103.03955	0.8
105.07050	2.1
107.08636	2.3
109.02936	0.9
109.10204	1.9
119.08586	1.2
121.10138	1.6
125.00035	3.9
127.03945	1.2
128.98293	0.6
131.08577	0.7
133.10167	1.0
135.11716	1.2
145.10098	1.2
147.11621	1.4
148.72318	0.6
164.72545	0.5
184.07350	15.5
185.04341	0.8
185.07742	1.2
193.91988	0.6
216.64668	0.6
243.08452	1.7
250.59480	0.7
285.36099	0.6
333.20203	3.0
369.37064	0.7
374.41559	0.6
456.30850	0.6
519.29321	6.4
520.29755	0.8
551.28015	3.4
731.43579	0.7
829.50555	100.0
830.50940	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08160	0.5
61.02932	6.3
67.05505	6.5
69.03429	3.8
69.07063	0.8
71.01366	0.6
71.04984	0.6
71.07378	0.9
71.08634	1.5
71.57914	0.3
73.02920	4.5
79.05481	0.7
81.03410	2.0
81.07034	2.2
83.08609	0.7
85.02904	6.5
85.10197	1.0
86.09702	3.3
91.03964	4.4
91.05492	0.7
93.07040	0.6
95.08610	1.9
97.02895	7.5
97.10175	0.5
98.22585	0.7
99.04476	1.0
101.02362	3.0
103.03974	0.4
109.02903	0.9
109.10149	5.2
115.03921	0.6
123.11723	0.4
124.99995	1.3
127.03934	1.8
140.17824	0.4
145.04984	0.4
155.10701	0.5
173.11777	1.3
184.07355	5.5
185.04251	1.3
185.07967	0.5
203.05310	0.5
229.14200	0.7
243.08368	2.2
251.12726	0.4
313.27438	0.6
327.06760	0.4
347.09515	2.2
353.57779	0.4
365.10052	0.8
405.13708	5.2
413.17795	9.2
414.18027	1.0
497.30817	3.7
535.28839	0.5
537.29724	0.4
575.23035	9.3
576.23553	0.9
647.48199	1.1
648.48761	2.4
659.36078	4.2
660.36328	0.9
669.41565	1.7
772.48193	2.4
831.46948	100.0
832.47205	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	3.1
61.02929	2.1
67.05505	51.4
68.05832	1.3
69.03429	2.5
69.07063	13.0
69.80042	3.8
71.04991	2.6
71.08632	24.2
73.02914	2.3
77.34317	1.0
77.67728	1.0
79.05493	14.4
81.03426	6.4
81.07058	28.6
83.02769	1.0
83.04977	5.8
83.08617	15.6
85.02905	11.1
85.06544	1.4
85.10181	16.0
87.04463	3.3
89.06046	1.6
91.05482	6.7
93.07046	8.6
95.04982	3.3
95.08607	23.2
97.02883	4.3
97.06493	2.0
97.10172	16.0
98.23103	2.3
103.03951	1.1
103.07587	1.3
105.07026	4.6
107.04924	2.2
107.08592	8.6
109.06505	2.4
109.10153	44.7
111.04446	1.0
111.08076	2.6
111.11726	1.2
112.66469	1.1
117.06993	1.2
119.08578	4.6
121.10135	3.7
123.08074	2.1
123.11700	4.6
125.09618	10.4
129.05443	1.3
129.07036	1.4
131.08603	1.2
132.25278	1.1
135.11667	3.7
137.09665	2.4
137.13243	1.8
143.10669	2.4
145.10120	3.6
147.08028	1.1
147.11595	1.3
153.12759	2.8
155.10651	2.0
163.11163	8.8
163.34605	1.0
166.31670	1.0
173.11751	12.3
175.11095	1.2
181.12236	2.2
184.07396	2.3
189.11432	1.2
191.10622	2.8
193.12222	2.2
199.13260	8.0
203.17873	1.3
209.11726	5.9
209.31931	1.0
219.93306	1.0
227.12785	10.2
229.14345	41.9
230.14752	1.5
239.23683	4.0
257.13818	1.3
257.24756	1.8
267.16058	2.8
283.15335	3.7
293.85214	1.0
301.16418	16.4
302.16879	1.1
313.27356	100.0
314.27686	6.0
341.26526	1.7
399.23795	12.5
400.23972	1.2
437.36142	4.5
455.37207	8.5
467.37286	22.7
468.37827	2.8
505.38327	1.2
521.38629	1.4
539.39795	7.9
557.40350	2.9
637.46753	18.9
638.46924	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05008	1.9
60.08149	1.3
61.02906	1.4
65.03941	3.1
67.05505	45.9
69.03432	6.7
69.07069	44.5
69.07348	1.0
69.07455	1.6
69.57609	3.1
69.58014	5.6
77.03951	1.2
79.05492	40.6
80.05836	1.2
81.03419	11.4
81.06579	2.7
81.07058	47.9
82.07403	2.0
83.04981	11.8
83.08612	9.8
85.06549	2.0
86.09691	4.2
91.05484	53.8
93.07044	40.8
95.01344	6.9
95.04977	11.0
95.08602	29.4
97.02898	6.8
97.06532	31.6
97.10170	9.6
98.23316	2.3
99.08124	1.3
101.37970	1.4
105.04502	2.0
105.07030	67.9
106.07413	1.7
107.04962	18.6
107.08594	22.1
109.06526	6.4
109.10144	13.7
111.08086	3.3
115.05492	2.5
117.07007	14.0
119.08581	33.4
120.08925	1.8
121.06521	4.8
121.10138	9.2
123.04409	1.3
123.08091	4.8
123.11703	2.6
125.00040	2.1
125.09646	7.4
128.06227	2.4
129.07036	5.8
131.08569	20.7
133.06483	2.8
133.10135	33.0
135.07986	6.4
135.11703	6.2
137.06009	1.6
137.09651	4.5
141.07042	1.4
142.07776	1.6
143.08557	5.1
145.06461	1.7
145.10123	18.0
146.66547	1.3
147.08037	4.3
147.11685	11.9
149.09669	6.9
149.13254	4.1
151.11180	3.8
153.09131	1.7
155.08578	2.4
157.10156	4.5
159.08104	1.6
159.11676	10.5
161.09671	3.2
161.13251	4.3
163.11183	4.6
165.09157	2.4
169.10135	2.3
171.11714	4.1
173.09531	2.0
173.13261	3.5
175.11203	2.4
177.12787	2.9
179.14294	9.0
183.11629	2.0
184.07338	14.1
185.13271	2.0
186.07896	1.3
187.11176	3.1
189.12758	1.8
193.10216	1.4
195.13847	1.7
200.44208	1.4
205.12254	1.6
219.17422	1.6
223.13188	10.9
227.12817	4.1
233.15280	1.8
233.70023	1.4
239.17870	1.8
247.20728	3.2
249.14705	2.5
253.14217	2.1
257.19070	4.8
267.15933	2.3
273.18506	10.7
275.20056	75.1
276.20364	4.4
279.16132	2.0
291.19525	55.4
292.20007	2.9
293.21161	4.9
306.04495	1.4
347.22101	3.0
349.23749	31.0
350.24158	2.5
365.23215	36.9
366.23669	2.3
409.13113	1.4
541.35028	4.2
621.41461	5.0
639.42493	100.0
640.42780	11.4
717.20422	1.5
835.06171	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	3.5
67.05506	56.7
69.03428	4.6
69.07070	33.4
71.08602	1.7
71.29995	1.6
71.30424	1.8
73.02880	2.2
76.86427	1.6
79.05493	50.4
81.03414	9.5
81.07059	80.6
82.07393	2.5
83.04981	16.4
83.08620	9.8
85.06525	5.1
86.09245	1.5
86.09702	7.0
90.85766	1.5
91.05483	84.1
91.83963	1.5
93.07047	54.0
95.01344	9.0
95.04974	15.5
95.08611	37.5
97.06538	35.8
97.10166	3.2
98.98470	1.6
99.08087	3.2
103.05475	3.0
105.03391	1.6
105.07034	100.0
106.07348	3.1
107.04955	19.0
107.08601	31.3
108.91275	1.6
109.06534	7.8
109.10153	32.2
109.10895	1.7
111.04469	3.1
111.08058	4.3
115.05440	3.1
117.07010	21.5
119.08578	45.1
121.06512	11.1
121.10147	13.8
123.04441	2.5
123.08086	7.8
123.11695	7.7
124.99995	6.4
125.09621	3.3
128.06226	2.3
129.06984	5.5
131.08578	29.4
133.06473	5.0
133.10136	73.0
134.10481	2.4
135.08066	8.1
135.11644	9.0
137.09607	5.8
141.06964	3.7
142.07806	2.0
143.08536	7.1
145.06445	2.1
145.10110	20.8
146.07172	2.0
147.08075	4.6
147.11673	14.5
149.09624	11.5
149.13203	3.1
151.11179	19.0
155.08553	3.0
157.10141	6.0
159.08026	2.6
159.11658	11.0
160.11201	5.4
161.09633	5.9
161.13246	8.1
163.11186	4.6
165.09042	3.1
169.10031	2.1
169.12256	2.7
171.11691	5.6
173.09639	2.2
173.13264	5.4
175.11195	4.9
177.09109	3.5
177.12732	4.1
179.14270	11.2
183.11707	3.3
184.07339	17.1
187.11229	3.5
187.14827	2.9
201.16333	3.0
205.12199	2.2
211.14865	1.8
213.16280	2.0
215.12793	2.6
219.17397	4.3
245.18901	2.2
247.17099	1.8
247.20412	1.7
251.12805	3.6
253.14346	68.1
253.17049	3.3
254.14641	3.6
255.17398	2.2
257.18988	3.4
258.08923	7.0
273.18457	18.3
275.20065	77.1
276.20374	4.3
279.16196	1.9
283.01987	7.1
291.19586	19.0
293.21130	4.7
309.20703	2.1
313.27646	2.5
329.21188	2.1
347.22107	10.3
349.23727	39.1
350.23883	2.6
365.23239	31.6
366.23740	2.8
433.54791	1.9
446.27072	1.8
470.82343	1.6
489.25815	6.5
490.26382	8.3
527.33582	2.1
545.34979	9.2
621.41461	9.9
639.42499	72.3
640.42554	8.7
787.39709	2.9
836.43652	14.1
837.43652	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	0.6
67.01844	0.4
67.05499	0.7
69.03423	0.7
69.20994	3.3
74.05767	0.3
79.05480	1.2
80.05000	1.0
81.03409	0.8
82.06565	0.6
85.02898	0.8
89.03922	1.1
91.05494	1.2
93.07060	2.5
94.06567	2.6
95.07372	2.1
95.08594	0.6
96.07632	0.6
96.08141	6.0
97.02859	0.6
98.22596	0.7
103.05486	0.6
104.05006	0.6
106.06551	1.4
108.04471	0.5
108.08108	4.8
109.02877	100.0
109.08930	0.5
110.03211	2.3
110.09674	8.7
116.04964	2.4
118.06526	0.8
120.04459	2.1
120.08099	7.4
122.06044	2.6
122.06783	0.4
124.07596	5.7
132.04453	0.8
134.06020	1.2
135.09151	0.6
136.07568	7.2
137.05995	0.6
137.08296	0.5
137.46852	0.4
138.09138	11.7
144.04443	5.7
146.06001	7.6
147.06694	0.7
148.06349	0.8
148.07552	8.9
149.07063	3.8
150.07587	0.4
150.09189	0.9
151.07552	2.2
152.06946	0.9
158.06006	0.4
160.03961	1.5
161.07108	0.6
162.05547	2.3
163.08659	6.7
164.07057	4.7
166.08635	21.6
167.08951	0.8
172.03931	28.1
173.04265	0.8
173.07068	0.7
174.05511	1.2
176.07097	2.7
180.06717	0.5
182.08128	5.1
190.04999	7.0
191.08147	19.1
192.06554	1.3
192.08482	0.6
193.09708	0.4
194.08086	3.5
201.06529	0.7
204.06557	45.2
205.06931	1.6
206.08153	1.0
215.08208	0.7
221.09036	0.7
223.12245	0.4
225.10191	1.1
227.11609	0.6
230.08231	0.5
237.10229	1.0
241.09712	0.8
249.10216	1.7
251.08214	0.5
251.11751	1.2
252.08893	0.7
252.79263	0.5
253.09702	0.6
253.13510	0.7
254.10524	0.6
258.10104	2.1
263.08154	0.6
263.11948	0.7
265.09778	2.1
269.09320	0.7
272.11542	1.3
273.12259	1.7
277.09711	3.2
279.11148	2.3
281.09290	0.7
281.12521	0.4
285.12405	0.5
291.11298	1.2
293.09210	5.0
297.09082	0.7
297.12344	2.3
298.12637	0.5
299.10471	0.8
299.13861	1.6
300.11020	2.6
301.11783	1.9
305.09195	5.7
306.09854	0.6
307.10672	1.9
308.14020	0.8
309.12048	0.6
311.10226	0.7
317.11307	8.8
318.12030	4.2
319.12790	3.1
321.12402	0.7
325.11807	10.8
326.12091	0.5
327.13333	0.7
329.11530	2.2
329.14929	0.8
335.10342	2.6
337.11761	1.0
339.13251	0.8
341.11432	0.9
341.15094	0.6
343.12912	1.4
347.10199	2.4
352.12811	1.8
353.11282	8.8
354.11758	0.7
357.14423	6.3
358.15131	0.8
359.15915	3.4
364.12958	1.0
365.11227	5.0
367.12601	1.0
368.16006	0.9
370.14096	1.0
379.12985	0.7
382.14029	0.5
384.15457	0.7
385.13907	2.9
397.14200	3.0
430.17719	0.9
458.17206	1.8
462.16498	3.2
466.19827	1.0
472.18585	0.5
476.18069	1.2
478.15793	3.1
487.17026	1.8
489.21497	1.2
490.15561	0.7
492.17627	2.5
494.19766	2.2
500.18121	3.4
510.18808	2.5
517.20642	4.3
518.19287	8.7
519.19415	1.5
522.18567	1.4
532.20868	6.5
533.20349	0.9
549.23315	1.2
550.21832	4.9
551.22479	0.5
551.61053	0.6
599.25140	0.8
625.22510	3.2
643.23932	11.3
644.24414	1.9
657.25531	6.6
658.25214	1.1
675.26605	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	0.6
67.01844	0.4
67.05499	0.7
69.03423	0.7
69.20994	3.3
74.05767	0.3
79.05480	1.2
80.05000	1.0
81.03409	0.8
82.06565	0.6
85.02898	0.8
89.03922	1.1
91.05494	1.2
93.07060	2.5
94.06567	2.6
95.07372	2.1
95.08594	0.6
96.07632	0.6
96.08141	6.0
97.02859	0.6
98.22596	0.7
103.05486	0.6
104.05006	0.6
106.06551	1.4
108.04471	0.5
108.08108	4.8
109.02877	100.0
109.08930	0.5
110.03211	2.3
110.09674	8.7
116.04964	2.4
118.06526	0.8
120.04459	2.1
120.08099	7.4
122.06044	2.6
122.06783	0.4
124.07596	5.7
132.04453	0.8
134.06020	1.2
135.09151	0.6
136.07568	7.2
137.05995	0.6
137.08296	0.5
137.46852	0.4
138.09138	11.7
144.04443	5.7
146.06001	7.6
147.06694	0.7
148.06349	0.8
148.07552	8.9
149.07063	3.8
150.07587	0.4
150.09189	0.9
151.07552	2.2
152.06946	0.9
158.06006	0.4
160.03961	1.5
161.07108	0.6
162.05547	2.3
163.08659	6.7
164.07057	4.7
166.08635	21.6
167.08951	0.8
172.03931	28.1
173.04265	0.8
173.07068	0.7
174.05511	1.2
176.07097	2.7
180.06717	0.5
182.08128	5.1
190.04999	7.0
191.08147	19.1
192.06554	1.3
192.08482	0.6
193.09708	0.4
194.08086	3.5
201.06529	0.7
204.06557	45.2
205.06931	1.6
206.08153	1.0
215.08208	0.7
221.09036	0.7
223.12245	0.4
225.10191	1.1
227.11609	0.6
230.08231	0.5
237.10229	1.0
241.09712	0.8
249.10216	1.7
251.08214	0.5
251.11751	1.2
252.08893	0.7
252.79263	0.5
253.09702	0.6
253.13510	0.7
254.10524	0.6
258.10104	2.1
263.08154	0.6
263.11948	0.7
265.09778	2.1
269.09320	0.7
272.11542	1.3
273.12259	1.7
277.09711	3.2
279.11148	2.3
281.09290	0.7
281.12521	0.4
285.12405	0.5
291.11298	1.2
293.09210	5.0
297.09082	0.7
297.12344	2.3
298.12637	0.5
299.10471	0.8
299.13861	1.6
300.11020	2.6
301.11783	1.9
305.09195	5.7
306.09854	0.6
307.10672	1.9
308.14020	0.8
309.12048	0.6
311.10226	0.7
317.11307	8.8
318.12030	4.2
319.12790	3.1
321.12402	0.7
325.11807	10.8
326.12091	0.5
327.13333	0.7
329.11530	2.2
329.14929	0.8
335.10342	2.6
337.11761	1.0
339.13251	0.8
341.11432	0.9
341.15094	0.6
343.12912	1.4
347.10199	2.4
352.12811	1.8
353.11282	8.8
354.11758	0.7
357.14423	6.3
358.15131	0.8
359.15915	3.4
364.12958	1.0
365.11227	5.0
367.12601	1.0
368.16006	0.9
370.14096	1.0
379.12985	0.7
382.14029	0.5
384.15457	0.7
385.13907	2.9
397.14200	3.0
430.17719	0.9
458.17206	1.8
462.16498	3.2
466.19827	1.0
472.18585	0.5
476.18069	1.2
478.15793	3.1
487.17026	1.8
489.21497	1.2
490.15561	0.7
492.17627	2.5
494.19766	2.2
500.18121	3.4
510.18808	2.5
517.20642	4.3
518.19287	8.7
519.19415	1.5
522.18567	1.4
532.20868	6.5
533.20349	0.9
549.23315	1.2
550.21832	4.9
551.22479	0.5
551.61053	0.6
599.25140	0.8
625.22510	3.2
643.23932	11.3
644.24414	1.9
657.25531	6.6
658.25214	1.1
675.26605	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75610	0.9
59.04975	0.9
61.02925	6.4
65.03934	1.9
67.05505	39.6
69.03436	4.5
69.07063	15.0
69.07411	1.1
71.04988	4.2
71.28675	0.8
71.29121	1.8
72.34879	1.0
73.02917	2.7
74.60185	1.0
74.74173	0.9
79.05491	31.7
79.05965	1.5
81.03418	48.8
81.07053	50.0
83.04984	12.3
83.08615	21.7
85.02901	22.6
85.03421	1.0
85.06554	4.0
91.03970	4.3
91.05473	28.4
93.07040	35.9
94.07371	1.2
95.04972	17.2
95.08610	13.6
97.02890	7.4
97.06526	8.1
97.10170	4.4
99.08120	2.0
105.07030	15.8
105.07683	1.6
107.04967	5.3
107.08588	17.3
109.06481	4.7
109.10168	5.2
110.30256	1.0
111.04464	2.6
111.08083	10.0
113.06013	1.6
117.07025	5.9
119.08579	15.3
121.06539	1.6
121.10145	12.4
123.08051	2.5
123.11698	3.4
125.09646	2.0
127.03909	1.9
127.07636	1.5
129.07014	7.5
131.08572	13.1
132.83171	0.9
133.06488	2.0
133.10127	11.7
135.08127	1.0
135.11717	5.0
137.09601	1.8
142.07808	1.6
145.05002	2.8
145.10144	2.4
147.08072	3.0
147.11668	10.7
149.09660	5.1
149.13254	13.2
151.11320	1.3
153.12917	1.2
157.10124	9.9
159.11649	5.9
163.11215	1.6
165.12749	1.8
175.11180	11.0
177.12790	1.9
177.95917	1.1
193.12228	28.0
193.14012	1.5
195.13786	6.0
197.52338	1.0
211.11223	1.7
211.13280	32.1
226.66225	0.9
229.14355	1.8
249.14771	1.2
253.14188	1.3
267.15903	27.1
269.17471	51.7
270.17816	2.3
285.16946	29.1
286.17325	1.7
299.14819	1.5
305.76233	1.0
329.17340	1.3
401.03110	1.0
412.70410	1.1
435.27548	1.9
443.27527	1.8
461.12424	1.0
461.28961	50.2
462.29391	5.7
479.30029	100.0
480.30209	8.5
493.27634	1.6
573.34192	2.6
623.34882	1.2
830.70551	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	4.8
60.11578	1.4
61.02929	1.7
65.03941	2.8
67.05505	81.5
68.05849	2.8
69.03438	5.4
69.07068	15.1
71.01361	1.9
71.05005	6.2
73.02883	1.8
79.05492	36.7
81.03419	100.0
81.07060	35.2
81.07526	3.0
83.01347	1.9
83.04983	12.5
83.08622	26.3
85.02917	6.6
85.06550	3.4
86.09736	2.2
87.04488	3.1
91.05478	33.7
93.07050	22.4
95.04973	31.1
95.08601	17.0
97.02905	3.4
97.06551	6.6
97.10162	15.3
99.04461	2.1
99.08127	2.1
103.03973	1.5
105.07023	20.7
107.04954	14.1
107.08598	17.7
109.06521	12.6
109.10157	53.6
111.04462	5.0
111.08102	9.8
117.07032	6.5
119.04967	2.0
119.08585	22.8
121.06529	10.7
121.10143	10.4
123.04487	2.8
123.08098	4.7
125.09638	12.0
128.06265	1.8
129.05553	1.5
129.07013	11.6
131.08549	12.8
133.06511	6.4
133.10162	7.0
135.08070	4.7
135.11708	5.8
137.05972	1.9
137.09645	4.8
142.07811	3.9
143.08611	3.2
143.10687	1.7
145.06560	3.1
145.10146	11.0
147.04416	5.5
147.08022	7.4
147.11694	10.4
149.09634	6.5
153.09099	2.7
153.12767	4.8
155.08609	1.6
155.10718	4.5
157.10112	12.6
159.07965	1.8
161.09521	1.7
163.11224	12.2
165.12749	3.6
170.12961	1.5
173.09631	3.2
173.11739	14.7
175.11162	11.4
177.12849	1.7
181.12234	4.7
184.07339	3.9
185.13110	1.6
189.11166	3.3
191.10664	4.1
193.12247	35.2
199.13290	2.8
201.12758	2.4
203.14340	2.1
205.12350	2.6
209.11739	8.7
211.13245	8.1
217.14313	2.0
219.13849	3.5
223.13260	2.1
227.12799	13.0
229.14337	39.5
231.13864	3.3
247.13351	4.3
249.14914	3.9
259.13235	4.9
267.15906	77.0
268.16275	4.9
273.18652	4.6
283.15457	8.7
285.16858	1.7
293.17609	1.9
301.16470	6.9
303.98529	1.7
355.22568	2.1
365.21091	2.2
367.22470	3.3
373.23630	2.0
383.22083	5.2
385.23660	3.7
399.23834	11.5
401.23303	5.4
419.24142	2.2
421.25876	18.3
422.26044	2.3
457.25958	2.3
458.26788	9.6
459.27368	6.0
475.27124	8.4
476.27478	11.8
477.28601	2.4
493.28052	7.6
511.28809	2.2
518.32166	3.9
591.35339	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03953	4.9
67.05507	64.9
69.03439	14.2
69.06722	3.4
69.07072	36.2
71.04993	3.9
71.11350	2.1
71.11680	2.3
79.05492	70.8
79.98974	1.9
80.05845	1.8
81.03413	9.8
81.07059	49.4
83.04993	8.8
83.08626	18.5
85.02915	2.4
85.06530	2.0
86.09718	4.9
87.04507	4.5
91.05479	72.0
93.07047	63.3
95.04992	10.8
95.08612	40.4
97.02895	10.3
97.06543	8.3
97.10177	20.1
99.08090	2.1
103.05504	3.6
105.04528	3.4
105.07031	72.6
106.07381	2.6
107.04935	11.8
107.08589	31.2
109.06521	8.3
109.10158	18.3
111.08078	2.6
115.05502	2.6
117.07018	26.7
119.04965	2.2
119.08582	52.6
120.08974	2.2
121.06513	5.6
121.10146	22.3
123.08091	5.1
123.11723	3.2
125.00011	4.3
125.09628	15.4
128.06190	4.3
129.05521	2.4
129.07005	14.3
130.07750	3.0
131.08562	24.9
131.72943	2.0
133.06468	3.5
133.10136	37.4
133.11066	3.3
135.08069	7.0
135.11681	11.8
136.06219	2.3
141.06978	4.3
143.08554	15.8
144.09276	2.3
145.06552	2.1
145.10098	24.7
147.08067	5.9
147.11679	24.0
149.09654	4.1
149.13264	9.8
155.08549	6.2
157.10141	13.0
159.11679	16.8
161.09648	5.5
161.13245	15.7
163.11156	3.5
163.14824	2.6
169.10103	5.9
171.11642	11.1
173.13245	10.1
175.11230	4.6
175.14856	7.0
177.12724	2.5
181.10181	3.2
183.11740	6.5
184.07390	15.8
185.13290	7.3
187.14830	4.9
189.11256	8.8
189.12755	2.5
195.11769	2.5
195.13690	2.0
197.13303	5.2
199.14836	6.2
201.16414	2.7
205.12311	3.1
213.16296	4.2
217.12247	2.9
221.13354	3.0
223.13216	15.5
227.12680	9.5
231.21053	3.1
239.18044	2.8
241.19444	13.7
249.14598	2.6
257.19040	2.2
259.20584	35.8
273.18597	8.9
275.19998	11.0
289.17984	2.4
291.19531	100.0
292.19934	8.2
315.23239	5.5
333.24210	41.4
334.24442	4.5
335.25763	3.9
349.23804	6.3
365.23264	36.4
366.23633	3.3
379.29944	5.6
513.36755	3.2
525.36005	11.2
531.37555	2.4
543.36664	7.3
549.39417	3.5
605.41791	4.3
623.42926	44.6
624.43298	5.2
641.43921	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	3.1
67.05507	68.5
68.05824	1.6
68.99767	1.2
69.03422	5.0
69.07070	44.8
70.17597	4.7
71.04994	3.6
71.92856	1.2
79.05493	58.6
81.03411	13.3
81.07055	85.0
82.07386	1.7
83.04977	13.2
83.08620	13.0
85.02912	2.4
85.06536	5.4
86.09705	2.8
87.04459	5.4
91.05480	76.3
93.07044	55.3
95.01317	8.7
95.04967	14.3
95.08606	43.9
95.09224	1.6
97.02881	3.8
97.06532	36.8
97.10161	6.8
98.06859	1.4
99.08082	2.8
103.05450	3.2
105.04538	2.4
105.07031	92.5
106.07367	3.1
107.04969	21.6
107.08593	34.1
109.02887	2.7
109.06536	8.0
109.10162	14.1
111.04454	1.8
111.08075	5.8
113.09666	1.7
115.05459	2.2
117.07006	23.8
119.08581	53.5
121.06484	5.5
121.10146	16.0
123.04398	2.0
123.08067	5.4
123.11714	3.8
124.99992	2.3
125.09624	4.3
128.06186	2.4
129.07016	6.7
130.07809	1.7
131.08569	29.5
133.06503	2.3
133.10127	52.8
134.10443	2.0
135.08072	6.0
135.11670	11.9
137.05969	1.7
137.09610	3.2
139.07552	2.2
141.06966	3.0
142.07800	1.5
143.08556	5.5
144.09146	1.4
145.06468	2.3
145.10123	24.0
147.08057	2.6
147.11691	23.4
149.09615	13.3
149.13271	5.5
151.11189	2.8
155.08527	3.0
157.10144	6.5
159.11703	18.5
161.09567	3.2
161.13246	8.8
163.11185	9.0
165.09123	2.7
165.12756	2.1
169.10117	4.9
171.11720	4.1
173.09637	1.9
173.13254	4.8
175.11172	2.0
177.12715	4.8
179.14345	15.6
183.11739	2.3
184.07382	9.3
185.13274	3.9
187.11200	4.8
189.11229	2.7
195.11639	1.4
195.13829	2.6
197.13280	3.5
199.14763	1.5
201.12790	1.9
201.16444	2.0
205.12141	1.4
219.17416	4.8
227.12750	5.9
229.19557	3.0
239.17863	3.3
247.16776	1.5
247.20531	3.0
255.15944	3.2
257.18964	8.2
269.17462	12.9
275.20059	100.0
276.20471	6.5
279.15909	3.5
291.19611	1.8
293.21155	7.2
331.22772	2.9
333.24237	2.0
349.23743	55.5
350.24103	4.7
367.24808	2.1
393.64325	1.4
413.21811	1.7
471.21313	1.6
503.33432	3.6
529.35242	19.4
530.35797	1.4
543.36774	63.9
544.37115	9.5
605.41968	1.6
623.42975	38.8
624.42896	4.9
641.44366	6.4
687.41150	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	5.6
67.05504	86.6
68.05853	2.5
69.03433	5.6
69.07069	25.3
71.04998	7.2
79.05493	74.4
81.03423	6.9
81.07055	80.8
82.07395	1.8
83.05000	9.9
83.08621	11.9
85.02891	4.4
85.06535	8.0
86.09697	3.1
87.04471	1.8
91.05480	97.6
93.07041	75.2
95.04957	14.5
95.08610	43.3
97.02908	2.7
97.06524	8.6
97.10197	4.8
99.04462	2.2
99.08113	1.7
103.05487	3.8
105.04552	2.3
105.07028	100.0
106.07332	1.9
107.04932	8.8
107.08591	51.2
108.47992	1.6
109.06519	13.7
109.10153	49.9
111.04470	1.8
111.08094	5.2
115.05447	1.8
117.07008	22.6
119.08576	52.9
121.06516	8.0
121.10150	22.9
123.08076	5.3
123.11683	8.2
125.09624	2.8
127.07597	2.7
128.06239	4.1
129.07008	14.3
130.07765	2.0
131.08568	31.9
133.06512	4.0
133.10129	75.5
134.10464	4.8
135.08109	8.0
135.11693	14.5
137.09593	4.6
141.07022	1.9
142.07791	4.7
143.08543	15.7
145.10110	23.9
147.08081	4.4
147.11691	30.1
149.09650	6.8
149.13297	7.4
151.11169	28.1
155.08566	5.5
157.10117	12.1
159.08066	1.7
159.11674	18.6
161.09621	7.8
161.13245	15.4
163.11192	4.3
163.14766	2.1
167.08620	1.6
169.10107	3.8
169.12265	5.5
171.11697	14.4
173.13275	10.0
175.11191	3.8
175.14856	4.7
177.12732	2.8
179.10753	2.0
181.10214	2.3
183.11702	4.2
184.07375	6.4
185.13274	9.1
187.14857	3.3
188.25482	1.7
189.12746	3.2
195.11739	2.5
195.13911	1.8
197.13287	3.7
199.14821	4.1
209.13274	1.7
213.16406	2.5
215.12598	2.3
215.14467	1.8
215.58624	1.9
227.17885	2.8
231.21173	2.4
241.19496	16.3
242.19965	2.0
245.18983	4.0
253.14334	72.4
254.14735	4.1
257.19034	4.0
259.20587	47.7
260.20929	3.3
263.20016	3.8
273.18481	14.1
275.20056	4.1
277.21530	3.2
289.17996	3.7
291.19550	18.1
313.21527	2.6
315.23203	8.9
333.24252	39.2
334.24380	2.2
335.25809	3.3
347.22198	2.8
349.23825	2.2
365.23181	21.5
409.30887	3.5
437.30435	3.6
455.31085	4.2
501.35422	3.1
511.34268	10.2
529.35175	16.3
531.38184	4.2
543.36920	2.3
549.39679	2.4
605.41870	6.5
623.43042	31.9
624.43658	3.3
641.43890	8.9
650.81799	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.0
65.03943	5.5
67.05504	56.8
69.03419	4.7
69.06719	3.0
69.07069	31.5
69.19851	1.7
69.28864	13.4
71.04992	5.3
77.03945	1.9
79.05489	57.3
80.89384	1.9
81.03420	12.5
81.06581	4.0
81.07056	72.8
83.04991	12.2
83.08613	8.8
85.02876	2.1
85.06486	2.5
86.09700	3.0
87.04460	6.2
91.05477	66.7
93.07037	52.0
95.01320	6.8
95.04969	11.8
95.08607	34.9
97.06532	28.5
97.10165	5.3
98.22675	4.0
103.05443	3.2
105.07022	77.2
105.63349	2.2
106.07337	2.2
107.04958	19.4
107.08589	32.6
109.06519	7.8
109.10149	13.6
111.08070	4.0
115.05460	5.9
117.06993	23.0
119.07774	3.6
119.08583	40.7
121.06504	4.1
121.10151	15.6
123.04458	2.0
123.08054	3.9
123.11682	3.0
125.09623	4.4
129.06987	5.6
131.08572	23.6
132.61884	1.9
133.10129	45.5
135.07999	6.4
135.11656	13.0
137.09607	4.2
143.08545	8.4
145.06497	2.0
145.10120	17.8
147.07999	3.6
147.11681	19.1
149.09605	14.0
149.13255	7.4
151.11168	2.1
155.08536	2.9
157.10075	5.4
159.11665	15.6
161.09680	3.0
161.13266	8.4
163.11177	8.0
165.09160	2.7
169.10188	2.3
171.11673	6.6
173.13251	3.9
173.99629	1.9
175.11272	2.8
175.14781	2.3
177.12680	4.0
179.14349	11.6
183.11713	4.6
184.07376	7.2
185.13249	4.1
187.11134	3.4
187.14751	2.6
227.12801	2.8
239.17883	3.9
241.19281	3.0
251.16544	2.6
255.15923	7.5
257.18939	8.8
259.20593	3.4
269.17432	26.2
275.20041	81.1
276.20419	4.2
291.19467	9.6
293.21060	8.5
333.24277	4.1
335.25726	6.6
349.23700	45.2
350.23886	4.5
365.23108	4.0
367.24606	3.1
526.44427	2.2
529.35419	20.6
543.36755	100.0
544.37262	10.7
605.41980	2.1
623.43030	26.9
624.43170	5.2
640.20099	2.0
641.43958	9.6
687.40039	2.1
839.45038	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5673
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	3.9
64.50356	3.2
65.03938	4.5
67.05506	100.0
69.03420	4.2
69.07069	40.4
70.81007	6.7
71.04995	16.4
71.08620	2.9
79.05067	5.1
79.05493	78.8
81.03405	11.6
81.07056	89.8
83.04977	11.6
83.08604	12.0
85.02908	10.1
85.06530	3.6
86.09723	3.0
87.04434	7.7
91.05474	58.3
92.05863	3.7
93.07046	76.2
95.04961	14.0
95.08609	60.8
97.02891	4.1
97.06521	13.2
97.10177	6.6
99.04480	3.0
99.08067	10.4
105.07027	37.7
107.04959	8.8
107.08585	44.5
109.06519	10.0
109.10157	29.2
111.08062	3.8
117.07008	17.3
119.08588	34.1
121.06489	4.5
121.10147	27.4
123.08096	4.9
123.11721	8.1
125.09633	5.4
127.03883	3.3
129.07027	5.8
131.08572	28.5
133.10114	23.7
135.08080	4.3
135.11723	18.6
137.09612	3.4
143.08594	7.6
145.10156	19.1
147.11705	19.7
149.09619	6.9
149.13232	12.4
155.00000	2.9
155.08469	3.7
157.10100	7.3
159.11708	21.5
161.09737	3.1
161.13222	6.1
163.11205	7.4
165.12897	4.0
169.10121	4.6
170.47110	3.5
171.11736	6.4
173.11758	4.4
173.13266	10.4
183.11684	5.6
184.07318	6.1
201.16391	4.7
227.12732	3.8
229.14322	7.1
234.37004	3.2
234.49754	3.2
234.55022	3.2
239.17975	5.4
243.20973	4.6
257.19019	8.0
261.22104	11.3
269.17429	10.1
275.20068	39.0
335.25806	89.0
349.23798	30.4
381.26120	3.2
489.35724	8.6
513.39740	4.2
515.37439	6.8
529.38831	56.3
530.39001	6.9
569.41608	14.8
570.07440	4.1
577.52325	4.4
609.45233	40.7
610.45001	3.5
627.45905	6.6
641.47656	7.1
851.23547	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	9.1
67.05171	4.8
67.05511	55.2
68.05848	3.1
69.03438	17.3
69.03766	3.0
69.07066	16.9
70.26975	2.8
71.04990	7.8
71.30238	5.6
79.05501	47.7
81.03432	32.5
81.07059	46.1
83.04990	41.6
83.06194	2.7
83.08620	6.9
85.02945	2.8
91.04900	3.6
91.05481	74.2
92.05814	3.9
93.07046	79.9
94.04218	3.9
95.04981	18.8
95.08612	60.0
96.05284	3.4
97.02895	6.5
97.06539	21.9
97.10191	4.9
103.05515	9.2
105.07038	57.9
107.04964	11.0
107.08606	40.7
109.06512	12.8
109.10155	13.2
111.04449	16.3
111.08086	23.2
115.05450	15.8
115.07549	3.0
116.06278	4.3
117.07002	37.6
119.04953	5.4
119.08580	100.0
121.02845	3.7
121.06520	24.9
121.10125	22.7
122.03731	3.5
123.08079	10.7
124.08425	3.7
128.06203	14.0
129.07018	25.0
130.07742	7.9
131.04909	5.7
131.08574	45.2
133.06465	15.9
133.10129	64.6
134.10516	3.7
134.33972	2.8
135.08051	24.4
135.11719	12.6
137.05975	57.6
137.09673	4.1
139.03932	3.6
139.07516	18.1
141.06979	16.9
142.07739	15.5
143.08580	30.5
144.09363	3.7
145.06493	46.0
145.10123	40.4
146.07297	3.4
147.04437	3.3
147.08055	26.4
147.11703	26.3
149.05995	4.6
149.09647	8.9
149.13277	6.4
151.07603	5.8
153.07018	8.2
154.07730	5.5
155.08554	26.3
156.09335	8.8
157.06525	6.7
157.10112	38.0
158.07352	4.2
159.08087	28.2
159.11687	29.7
160.08772	3.6
160.11885	2.9
161.06055	3.8
161.09628	22.3
161.13290	6.3
163.07565	10.1
163.11182	5.2
165.07040	12.9
167.07327	3.4
167.08611	10.5
168.09338	4.5
169.06517	3.8
169.10164	18.4
170.10873	4.2
171.08064	10.7
171.11728	20.3
172.08839	6.4
173.06061	7.0
173.09618	31.8
173.13235	8.0
175.07503	5.2
175.11218	17.8
177.09117	5.0
178.07771	5.5
179.07166	3.0
179.08569	12.5
180.09282	4.7
181.06433	5.0
181.10149	17.5
182.10970	4.0
183.08090	26.4
183.11720	18.8
184.07341	9.8
185.09647	20.2
185.13280	7.0
186.10356	3.8
187.07593	7.3
187.11189	18.0
189.05496	3.7
189.09097	5.6
189.12750	7.2
191.07039	63.2
191.08719	4.7
191.10652	4.0
192.07491	3.9
192.09413	4.8
193.10133	11.8
194.10953	7.2
195.08075	9.4
195.11725	17.6
196.08690	4.4
196.12369	5.7
197.09683	14.2
197.13284	8.9
198.13950	3.9
199.07556	6.6
199.11189	16.9
199.14886	5.8
201.09172	18.8
201.12767	12.4
203.10681	10.9
203.14375	5.5
205.08459	4.1
205.10237	6.2
205.12267	9.2
206.10881	7.6
207.11769	16.7
208.12350	5.0
209.09756	15.2
209.13251	14.2
210.10371	4.3
211.07533	10.5
211.11188	15.4
211.14879	8.3
213.09032	5.5
213.12814	7.6
214.13524	4.5
215.10698	4.5
217.10245	5.0
218.10876	6.5
219.11652	8.6
220.12457	4.3
221.09618	4.7
221.13278	13.1
223.07498	3.4
223.11198	19.8
223.14752	5.2
224.11949	5.2
225.09142	10.4
225.12675	13.7
227.07178	4.7
227.10760	4.0
227.14342	10.2
229.08557	8.5
229.10451	4.8
230.10968	4.8
231.11792	7.2
233.09637	3.6
233.13275	6.3
234.10428	4.7
235.11169	8.6
237.12729	10.1
239.10619	7.1
239.14340	17.7
244.12387	5.5
245.13271	6.5
245.15375	19.5
246.13997	3.4
247.09349	14.5
247.14839	10.6
249.12845	8.0
249.16510	6.8
251.10742	9.5
251.14297	4.1
253.12253	5.9
253.16005	5.3
256.12607	4.2
257.15396	10.4
258.14151	4.7
259.11011	4.1
259.14905	8.4
261.12781	5.1
261.16333	4.8
263.14346	7.1
265.12347	3.5
265.15836	7.6
269.15482	8.0
271.14774	7.0
273.16040	3.8
273.18619	4.3
275.14331	5.7
277.15823	6.9
279.13773	2.9
279.17459	3.4
283.01871	3.9
283.17120	3.3
285.16382	4.4
287.14236	10.1
287.17862	4.8
288.15033	3.7
289.12463	3.5
289.15677	6.2
291.19852	3.6
295.17081	5.1
297.15024	5.0
303.13885	4.0
303.17484	8.3
305.15475	5.5
305.18848	3.3
307.16843	4.6
313.18192	15.8
315.13980	5.0
315.17365	6.7
317.15421	3.9
325.18063	9.6
328.18228	3.2
329.19049	3.9
331.16809	7.3
333.14813	4.2
333.18475	4.9
335.16476	3.9
335.25821	27.1
336.26343	3.7
343.19043	7.3
359.16519	6.2
365.23224	3.7
374.18805	4.0
381.22620	3.1
385.21750	6.0
399.23273	10.8
401.24792	7.5
409.21561	9.2
417.24158	11.0
419.25757	6.6
427.22760	24.9
428.22989	4.0
429.24283	12.3
445.23727	99.3
446.23935	10.1
447.25287	8.4
455.22144	24.8
463.24811	29.6
473.23230	56.4
474.23730	6.7
489.35095	3.6
491.24258	38.4
521.25012	5.6
529.38324	4.1
624.43549	9.0
642.44147	4.1
715.57800	3.4
803.41003	4.5
839.50079	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.546
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	5.2
65.03928	5.5
67.05505	86.1
69.03463	3.1
69.07073	35.4
70.55540	3.2
70.55907	10.1
71.04985	6.5
79.05495	80.4
79.24679	2.8
81.03420	6.1
81.07051	64.7
81.51240	3.1
81.90341	3.2
82.07365	4.9
83.04971	7.7
83.08611	16.2
85.02922	7.3
85.06531	4.8
86.09700	16.0
87.11760	3.2
91.05479	98.2
92.05811	4.5
93.07049	87.6
95.04965	10.4
95.08608	61.2
97.02914	8.9
97.06546	11.5
97.10164	7.8
99.08077	6.5
100.31698	3.4
103.05475	4.1
105.04521	3.3
105.07033	100.0
107.04960	8.6
107.08587	43.0
109.06525	7.3
109.10156	25.8
111.08150	5.4
115.05455	5.9
117.07021	53.6
119.08588	71.3
121.06490	6.0
121.10160	30.3
123.08097	5.0
123.11741	5.3
124.99996	12.1
125.09604	7.8
128.06210	7.6
129.07013	32.5
130.07796	3.6
131.08572	48.9
133.10133	45.2
135.08063	3.8
135.11723	16.7
137.09610	6.0
138.46274	3.3
141.06984	12.6
142.07793	7.4
143.08574	29.3
145.10109	48.3
147.11688	31.9
149.09651	7.6
149.13309	8.2
154.07790	4.7
155.08559	23.0
157.10130	37.4
159.11707	29.6
161.09599	4.1
161.13322	11.9
163.11118	6.1
167.08563	8.0
168.09267	5.5
169.10129	26.3
171.11707	21.8
173.13242	21.6
175.14777	3.3
175.32370	3.5
177.12810	6.2
179.08463	3.8
181.10143	13.1
183.11711	25.1
184.07323	52.5
185.09575	3.7
185.13245	22.9
187.14717	7.4
193.10178	4.1
195.11702	18.9
197.13240	20.1
199.14841	9.7
203.14432	4.7
207.11769	6.2
209.13289	14.0
211.14838	8.5
221.13342	5.7
223.14893	7.3
233.13275	6.8
235.14906	5.3
237.16420	7.1
239.17943	9.0
241.19591	6.3
249.16354	6.4
257.19028	9.1
259.20587	15.4
273.18594	8.2
275.20111	14.8
325.21353	3.6
331.22614	4.7
333.24359	22.8
335.25809	5.5
349.23761	12.3
377.28775	5.0
445.31293	4.1
461.34158	6.1
473.33279	4.0
488.63382	3.7
515.38739	8.1
521.35547	4.3
527.37317	6.8
533.39709	7.7
539.37207	9.1
553.39185	16.7
562.19513	3.6
567.41071	4.4
607.43378	49.3
608.43860	4.8
625.44452	36.7
697.05627	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.546
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08161	5.4
61.02924	4.9
65.03935	5.5
67.05505	97.6
69.03428	10.5
69.07072	35.8
69.35905	11.4
69.36325	4.6
69.42621	2.4
71.04980	6.1
71.07365	4.4
73.02926	3.3
78.04725	2.8
79.05495	80.4
81.03411	12.2
81.06581	5.5
81.07056	100.0
82.07389	5.0
83.04974	8.2
83.08627	18.6
85.02898	4.0
85.06512	3.1
86.09700	31.7
91.05479	94.9
93.07040	83.8
94.07397	3.8
95.04956	15.4
95.08608	50.9
97.02888	6.6
97.06528	18.6
97.10159	9.6
98.98468	4.9
103.05499	4.3
105.07030	94.1
106.07351	4.7
107.04961	10.3
107.08589	45.2
108.08904	2.7
109.06500	7.3
109.10156	23.6
111.08064	7.3
115.05476	5.2
115.53267	2.7
116.50485	3.0
117.07023	29.5
119.08578	65.9
121.06522	5.3
121.10152	26.4
123.08067	5.2
123.11699	8.8
124.99996	19.8
125.09624	10.7
128.06233	5.1
129.07043	18.7
131.08574	40.5
133.10127	50.1
134.10442	3.3
135.08102	5.3
135.11713	21.9
137.09630	3.7
141.06941	5.0
142.07753	4.4
143.08583	24.1
145.10121	35.9
147.08029	4.0
147.11668	30.8
148.33984	3.0
149.09622	8.0
149.13248	11.3
155.08537	10.9
157.10152	22.2
159.08124	3.1
159.11655	23.1
161.09567	3.7
161.13266	17.1
163.11153	3.9
163.14771	3.9
167.08542	5.1
168.09389	2.9
169.10120	14.2
171.08099	2.6
171.11702	19.8
172.18491	2.6
173.13219	13.8
175.14813	6.1
177.12930	2.6
181.10110	6.6
183.11690	9.6
184.07336	78.9
184.08942	5.0
185.13261	11.5
187.11124	4.8
187.14789	4.7
189.11084	3.3
193.10030	3.3
195.11658	8.0
197.13234	11.4
199.14880	8.5
209.13281	6.5
211.14847	5.4
223.14819	4.4
225.16362	4.2
227.12674	6.3
231.21132	3.4
235.69618	2.6
237.16302	4.3
241.19536	13.8
247.20566	4.3
249.15758	3.1
255.15714	3.4
257.19052	5.8
259.20636	29.8
267.15912	3.0
269.17441	10.8
275.20087	22.8
315.23181	6.5
333.24164	30.0
335.25873	3.1
349.23804	10.0
350.23871	4.0
351.24091	2.8
361.15494	2.6
364.45691	2.8
365.28342	4.5
416.23761	3.2
435.32788	3.0
453.33661	2.8
477.59055	2.8
499.34491	3.6
513.35504	19.4
527.37250	23.6
545.37738	5.5
570.19385	3.8
607.43793	22.6
608.44019	4.5
625.44611	24.8
660.46515	3.4
775.82806	3.1
841.46918	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5452
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	6.5
67.05508	98.9
68.05855	7.0
69.03438	12.0
69.07064	34.9
71.04988	10.2
71.08633	4.8
71.30188	3.0
79.05493	90.8
80.05840	5.1
81.03417	13.7
81.07056	100.0
82.07405	4.2
83.04982	16.1
83.08611	15.5
85.02905	4.0
85.06552	6.0
86.09714	13.0
91.05479	84.5
92.05833	10.0
93.07043	90.3
94.07405	5.6
95.04976	20.0
95.08607	65.3
96.08970	6.0
97.02877	4.2
97.06509	18.5
97.10186	11.4
99.08090	8.2
103.05465	3.0
103.19752	2.8
105.04531	3.5
105.07032	84.6
106.07378	10.6
107.04978	7.9
107.07891	2.3
107.08594	50.6
108.08939	5.3
109.06530	13.6
109.10162	39.2
110.10479	6.8
111.08081	5.0
115.05490	4.6
117.07030	28.2
119.08589	51.9
120.08923	8.0
121.06526	6.7
121.10134	37.7
122.10552	3.3
123.08071	11.0
123.11708	6.3
125.00008	6.3
125.09623	8.1
128.06255	6.5
129.07014	17.2
131.08566	37.8
132.08923	5.3
133.06483	9.0
133.10133	46.1
133.11070	4.3
134.10501	8.8
135.08075	7.6
135.11713	20.6
137.06020	6.8
137.09648	7.7
141.07021	4.0
142.07755	4.3
143.08530	17.9
145.10132	31.9
146.10457	4.7
147.08112	6.6
147.11673	21.7
148.11958	2.7
149.09662	10.4
149.13280	10.4
151.11201	7.9
152.11716	3.2
155.08598	10.3
157.10138	18.6
159.08055	4.8
159.11682	25.5
161.09604	6.1
161.13280	12.9
163.11186	5.2
167.08569	5.1
169.10153	9.8
171.11707	13.7
173.13292	10.8
175.14848	6.5
181.10132	3.4
183.11684	7.8
184.07358	29.5
185.13301	6.9
185.40028	2.8
187.14960	3.4
189.11156	3.6
195.11723	5.0
195.13785	3.0
197.13226	4.6
199.11049	3.7
199.14844	8.1
207.13763	2.9
209.13269	4.7
215.18025	3.0
227.12796	6.2
241.19595	8.3
242.19756	3.2
253.14240	13.5
254.14694	8.0
257.19067	3.3
259.20602	20.4
260.20856	6.9
261.21857	4.7
267.16052	3.2
269.17514	4.4
273.18448	17.6
275.20078	5.6
291.19437	16.5
293.21182	8.8
333.24319	13.2
334.24478	6.9
335.25836	34.0
347.22415	3.9
365.23145	13.4
366.23679	4.6
367.24335	5.0
380.25134	3.5
447.25375	3.7
479.32324	3.1
513.35571	3.6
527.37030	7.0
543.36877	3.7
545.38562	8.6
580.91730	3.0
607.43146	5.5
609.44690	11.6
610.44977	3.9
624.42450	4.5
625.44543	32.2
643.45050	10.9
717.41223	7.1
841.47418	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5464
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	4.8
61.58704	1.8
64.44974	1.8
65.03941	5.2
67.05506	88.0
69.03432	20.9
69.07071	46.6
71.04999	19.4
73.02926	6.5
79.05494	77.6
81.03411	21.4
81.07059	84.0
82.07362	2.4
83.04989	14.4
83.08613	9.9
85.02917	10.8
85.06553	2.6
86.09684	2.3
88.45204	1.7
90.97070	1.7
91.05479	57.8
92.05788	2.2
93.07043	74.4
94.07388	2.0
95.04968	16.7
95.08605	49.4
96.08980	2.2
97.02906	12.5
97.06531	83.9
97.10175	3.2
98.06884	2.1
99.04462	5.5
99.08107	5.5
101.02391	2.2
103.05478	2.3
104.55762	1.8
105.04546	3.3
105.07030	40.6
107.04949	9.9
107.08592	39.3
109.02862	6.4
109.06523	19.1
109.10143	17.8
111.08065	10.2
113.68491	1.7
115.05416	3.0
115.07569	25.3
117.07022	17.3
119.04996	2.0
119.08571	25.3
121.06491	8.1
121.10139	29.6
123.08090	7.2
123.11695	5.4
125.09650	5.2
127.03917	8.1
127.07581	3.8
128.06174	3.0
129.05521	2.3
129.07021	12.0
131.08565	27.3
133.06514	2.6
133.10126	26.6
134.10487	1.8
135.04404	2.6
135.08037	11.2
135.11684	18.3
137.09604	2.6
143.08546	10.2
145.06506	2.2
145.10124	20.3
147.08060	7.5
147.11690	12.8
149.09679	8.8
149.10698	2.0
149.13289	8.4
151.11256	4.0
155.08585	3.3
157.10136	8.3
159.08029	3.3
159.11711	16.3
161.09634	6.1
161.13271	5.3
163.11232	4.5
163.14862	2.0
163.47559	1.8
169.10124	3.3
171.11650	8.6
173.04494	7.7
173.09572	2.1
173.13255	7.9
175.11218	3.6
175.14789	3.3
177.12782	7.7
179.10858	2.0
181.10045	3.2
183.11642	3.7
184.07375	4.9
185.09760	2.1
185.13266	5.5
187.11270	2.8
187.14876	3.8
195.11890	2.5
195.13795	4.3
199.14795	3.2
201.12660	2.3
205.12183	2.2
217.15948	6.9
227.17845	2.6
233.15419	4.7
237.16341	2.2
241.10524	2.1
243.21086	3.8
245.19058	1.9
253.14345	3.4
255.17636	3.6
259.20685	3.5
261.22159	12.0
267.15948	1.9
269.17429	13.0
273.18521	31.8
274.18915	2.7
275.20276	3.3
291.19516	15.8
307.18909	3.2
317.24887	1.9
333.24274	2.7
335.25797	100.0
336.26196	4.8
341.97458	1.7
347.22107	11.5
363.25293	2.3
365.23364	11.5
383.24429	2.4
445.23764	11.3
463.24457	2.6
512.01440	2.0
515.37329	3.2
529.38861	31.0
530.39252	4.0
557.38910	2.1
607.43408	5.1
625.44568	15.8
626.44830	2.6
643.45093	7.3
828.38092	2.3
841.47473	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5464
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	4.9
65.03940	6.7
67.05505	100.0
68.05847	3.0
69.02981	6.0
69.03412	31.5
69.07067	60.1
70.07415	2.3
71.04992	21.7
73.02912	4.0
75.78119	1.9
77.03929	2.5
79.05492	90.6
80.05834	2.1
81.03423	24.2
81.07056	87.8
83.04977	17.7
83.08609	14.9
85.02902	10.5
85.06527	3.7
86.09708	2.9
86.73322	1.9
89.57731	2.0
91.05477	65.6
93.07041	84.7
93.07629	4.7
94.07378	2.7
95.04964	21.3
95.08609	62.1
96.08942	4.3
97.02880	11.5
97.06532	88.7
97.10175	5.8
99.04476	2.9
99.08108	8.9
103.05460	2.7
105.04491	5.0
105.07030	50.2
107.04956	9.4
107.08591	40.3
109.02861	5.3
109.06528	19.3
109.10146	21.9
111.08088	9.2
113.05996	2.2
115.05445	5.2
115.07568	24.5
117.07019	21.3
119.08578	29.7
121.06512	6.6
121.10146	27.7
123.08083	6.1
123.11730	4.6
127.03941	6.5
128.06224	3.8
129.05475	3.5
129.06995	9.4
131.08575	30.6
133.06496	7.2
133.10127	33.2
135.08069	11.7
135.11696	16.8
137.06007	2.1
137.09637	3.4
141.06987	4.8
143.08554	9.0
145.06471	4.7
145.10121	22.0
147.08002	6.7
147.11664	14.5
149.09627	8.3
149.13274	9.1
151.11154	6.4
157.10106	14.0
159.08060	3.9
159.11716	15.1
161.09579	5.2
161.13260	5.8
163.11162	4.8
165.09070	2.5
169.10085	5.7
171.08020	2.4
171.11687	7.9
173.04468	9.5
173.09639	3.1
173.13275	8.7
174.13524	2.4
175.11270	3.3
175.14877	4.3
177.12732	6.1
181.10101	2.6
183.11676	2.7
184.07310	10.5
185.13341	4.6
187.11148	3.5
191.07193	2.5
195.11684	2.7
195.13748	4.2
199.14883	4.3
201.12624	3.0
213.12834	4.2
215.14426	2.6
217.15923	9.2
243.21089	2.2
245.15407	2.7
253.14340	4.2
255.17490	3.0
261.21970	10.3
263.20059	2.6
267.15869	3.7
269.17487	14.2
273.18506	31.1
275.20096	4.4
291.19461	18.5
307.19223	3.0
333.24445	3.4
335.25797	69.5
336.26248	2.8
347.22192	8.8
365.23328	7.5
367.25104	2.5
399.04169	2.1
529.38806	24.4
607.43518	4.9
625.44879	14.4
643.45422	4.0
841.45142	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4703
Annotation	Antibiotic L 156602
Peak:m/z	Relative Intensity
60.08160	0.9
61.02930	3.2
65.03938	0.5
67.05507	9.6
68.05855	0.7
69.03442	2.7
69.07075	6.2
71.01362	0.5
71.08647	1.1
71.30529	0.7
73.02927	1.9
76.57411	0.5
79.05492	9.4
79.05907	0.7
80.05803	0.5
81.03424	2.2
81.07059	9.6
82.07423	0.6
83.04993	1.7
83.08649	1.8
85.02902	2.9
85.06564	0.5
86.09704	2.7
87.00886	0.4
91.03976	2.0
91.05479	7.2
93.07043	8.7
94.07411	0.7
95.04990	1.9
95.08607	5.8
96.09015	0.5
97.02890	3.1
97.06565	1.3
97.10197	2.1
99.08144	1.3
101.02406	1.1
105.07032	6.9
107.04999	1.4
107.08593	4.6
108.08965	0.6
109.02883	0.8
109.06541	1.2
109.10164	2.9
111.08139	0.8
117.07045	2.3
119.08585	4.0
120.08983	0.5
121.10157	3.1
123.08144	0.9
123.11746	0.7
125.00039	1.5
125.09677	1.2
127.03951	0.7
129.07025	0.8
131.08560	2.4
133.10117	3.0
134.10519	0.5
135.08127	1.2
135.11740	2.0
137.09567	0.6
143.08659	0.7
145.10133	2.6
147.11734	1.9
149.09650	0.9
149.13274	0.9
151.11229	0.8
157.10229	0.7
159.11758	1.5
161.13322	1.0
163.11201	0.5
173.11868	0.5
173.13359	0.5
175.11307	0.7
179.14342	3.0
180.14685	0.6
184.07338	8.3
185.04276	0.6
195.11781	0.5
203.05304	0.6
223.13150	0.8
227.12965	0.7
243.08405	3.8
261.22018	0.5
269.17484	1.0
273.18552	1.0
275.20169	2.0
277.21799	1.6
278.22223	0.7
291.19678	1.9
303.72229	0.4
315.19324	3.0
331.18768	0.6
335.25760	3.6
336.26282	1.2
349.23849	1.0
351.25327	1.2
367.25125	0.5
371.22104	1.0
379.19681	0.5
531.36725	0.8
532.37311	0.7
533.27277	6.0
534.27887	0.9
545.38605	1.0
546.38708	2.3
549.26709	6.8
569.41583	0.8
609.45264	0.7
625.44708	0.6
626.44867	2.5
841.47021	100.0
842.47272	15.5
857.40967	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05021	0.9
60.08166	6.6
61.02940	0.9
65.03919	1.7
67.05503	45.6
68.05823	0.9
69.03429	1.5
69.07067	12.8
71.04984	2.2
71.07373	4.8
75.63944	0.9
79.05492	27.5
80.13409	0.9
81.03436	1.7
81.07056	38.3
81.93427	0.8
83.04974	2.4
83.08623	6.8
85.02916	1.7
85.06542	1.3
86.09705	32.2
91.05475	17.7
93.07043	29.6
94.07397	1.3
95.04976	3.6
95.08608	24.7
97.02863	1.0
97.06516	3.5
97.10182	3.9
98.98473	3.7
104.10725	1.6
105.04510	1.4
105.07033	13.9
107.04987	1.4
107.08595	17.3
107.09289	1.4
109.06501	2.7
109.10157	22.1
111.08086	3.4
117.06999	6.0
119.08580	11.0
121.06525	1.1
121.10131	12.1
123.08116	2.1
123.11691	3.5
123.88293	0.8
125.00006	22.4
125.00867	1.7
125.09620	2.7
125.55723	0.9
127.57364	0.8
129.07033	1.9
131.08562	8.4
133.10127	9.4
135.08101	1.6
135.11684	7.9
137.09648	2.0
143.08562	2.0
145.10118	6.3
147.11665	6.7
149.09627	2.8
149.13251	5.7
150.34082	1.0
155.08542	1.0
155.10619	1.0
157.10120	1.2
159.08148	1.0
159.11697	4.4
161.13266	3.3
163.11177	1.4
169.10147	1.3
171.11728	1.3
173.11732	4.0
173.13275	3.9
175.14803	1.2
179.14365	1.0
183.11670	1.3
184.07341	100.0
185.07626	2.4
185.13287	1.7
187.14880	1.3
189.11240	1.6
189.19438	1.0
195.13773	1.7
227.12727	4.3
229.14319	15.1
239.17975	1.1
247.20566	1.3
257.18988	2.8
261.22165	5.6
269.17471	9.1
275.20120	10.8
276.20483	1.2
293.21036	2.1
309.20480	1.8
317.24896	1.4
331.22818	1.6
335.25821	40.8
336.25894	2.4
349.23773	8.3
350.24228	1.1
367.24844	7.1
437.34058	1.2
489.35724	9.0
515.86145	1.0
529.38806	17.7
530.38812	1.5
535.29016	1.2
549.26587	1.5
569.42023	10.2
570.42816	1.1
609.45026	12.6
610.45038	1.7
627.45660	7.3
778.83575	1.1
792.52356	1.4
842.46918	1.1
843.48657	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04987	0.5
59.64880	0.3
61.02909	0.6
65.03938	0.5
67.05510	0.6
68.99804	0.4
69.03424	4.2
70.25628	1.2
71.01349	1.1
71.04992	22.5
73.02921	2.9
75.04475	1.4
79.05490	0.4
81.03428	0.6
83.04482	0.6
83.04980	8.7
85.02904	31.1
86.03231	0.7
87.04459	0.5
87.35947	0.3
91.05485	0.4
95.04969	1.2
97.02885	4.5
99.04444	1.0
100.15413	0.4
103.03930	0.6
105.03429	0.4
107.04935	0.6
109.02861	0.9
111.00809	0.9
111.04432	7.8
113.06016	1.1
115.03934	4.5
117.05502	0.5
121.02859	3.8
127.03889	0.8
129.05478	10.1
130.05772	0.6
133.04976	1.4
137.02350	0.7
137.05917	0.5
139.03915	1.7
147.04448	0.6
147.06516	5.0
150.80104	0.5
151.03915	0.5
153.01828	3.6
153.05466	1.1
157.04932	0.8
163.06004	0.5
165.01846	1.6
165.07530	0.5
171.06561	0.8
183.06453	0.5
213.05603	0.9
225.07591	2.1
231.06462	0.8
239.09149	2.2
241.05045	0.7
243.08623	2.3
245.55385	0.5
257.10196	0.8
258.05185	0.9
259.05991	0.5
275.11230	1.0
279.10709	1.9
287.05481	100.0
288.05811	4.8
293.12329	0.8
299.05521	4.1
300.06165	0.8
311.05496	1.4
313.06967	0.6
323.05435	0.7
325.06976	1.0
329.06549	5.3
337.06976	1.1
341.06516	0.4
353.06503	2.7
365.06534	1.4
383.07520	4.4
384.07941	0.6
397.08829	0.6
401.08624	2.3
419.09738	7.1
420.09726	0.5
551.13538	0.6
565.15228	1.8
692.22150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.1
62.81940	0.4
67.05505	4.5
67.05834	0.4
69.03429	2.2
69.07068	3.5
70.49920	1.0
71.05008	0.7
73.02921	2.8
73.74081	0.4
76.81309	0.4
77.31659	0.3
79.05498	5.1
79.05917	0.5
81.03426	2.2
81.07061	5.7
83.04998	1.2
83.08641	1.0
85.02901	3.2
86.09706	2.3
91.03965	1.9
91.05488	4.1
93.07047	3.9
93.07556	0.4
95.01335	0.7
95.04994	1.6
95.08614	2.9
97.02906	2.7
97.06538	1.0
97.10179	0.6
98.23038	0.7
99.04488	0.7
101.02402	1.4
105.07031	4.1
107.04984	1.4
107.08593	2.2
109.06593	0.6
109.10175	0.8
112.93058	0.4
113.92653	0.3
117.07095	1.1
118.98965	0.4
119.08591	2.5
120.08922	0.4
121.10190	1.0
123.04441	0.4
123.08047	0.4
125.00014	2.4
125.09646	0.9
127.03968	0.8
131.08614	1.0
132.04846	0.4
133.10091	2.3
135.08066	0.5
135.11749	1.2
145.10194	1.4
147.11717	1.1
148.12076	0.4
149.09692	0.7
158.65761	0.3
159.11740	1.3
161.13254	0.4
184.07353	8.5
184.08890	0.6
184.61935	0.4
185.07817	0.4
189.11446	0.4
203.05458	0.5
227.12814	0.5
243.08411	3.1
275.20105	0.6
313.27402	0.4
315.19244	3.2
333.20532	1.6
371.22256	0.8
387.94427	0.4
439.19656	1.3
453.21057	0.8
533.27258	8.9
534.27612	0.6
549.26251	0.5
551.28247	7.0
552.28809	0.5
843.48621	100.0
844.48907	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08157	1.0
61.02925	4.9
67.05506	5.1
69.02140	2.9
69.02543	0.7
69.03437	3.1
69.07067	2.1
69.66331	0.3
69.74372	0.4
71.05000	0.6
71.07372	0.5
73.02911	4.5
79.05493	5.8
80.91147	0.4
81.03422	1.9
81.07052	5.3
83.04993	0.9
83.08619	1.0
85.02908	5.9
85.37468	0.4
86.09706	4.3
87.04501	0.5
91.03938	2.7
91.05480	5.9
91.06009	0.6
93.07038	5.6
95.04996	1.2
95.08606	4.0
97.02885	5.6
97.06528	0.8
97.10183	0.6
98.98485	0.6
99.04469	0.8
101.02404	2.0
105.07026	4.8
107.05003	0.8
107.08575	3.3
109.02882	0.8
109.06551	1.1
109.10188	1.2
111.08092	0.4
115.03940	0.5
117.07034	0.9
119.08584	2.9
121.06550	0.5
121.10141	1.1
123.08050	0.4
123.11697	0.5
124.99998	3.5
127.03973	1.3
129.05487	0.6
129.06979	0.5
131.08582	1.5
133.06566	0.4
133.10118	3.6
135.11732	0.9
145.05040	0.5
145.10159	1.4
147.11717	1.4
149.13297	0.5
157.10143	0.7
159.11761	1.1
161.09612	0.6
171.11748	0.9
174.37166	0.4
175.11307	0.6
184.07343	14.6
185.04272	1.2
193.12337	0.7
201.03735	0.5
201.39630	0.4
203.05272	0.7
243.08354	3.7
301.09106	1.7
313.08957	0.5
313.17938	1.3
315.10632	1.0
315.78610	0.4
331.18845	3.1
335.25800	0.6
355.13715	0.7
357.15240	0.5
360.41644	0.4
369.15335	1.0
371.16919	0.6
373.11197	0.6
385.18524	0.6
387.21667	0.5
451.19528	1.6
465.21042	1.3
471.08435	0.4
531.25641	2.7
535.28766	9.8
536.29260	1.2
549.26605	4.6
550.27112	0.6
603.27881	0.4
607.30920	0.9
621.28601	0.6
745.41113	3.2
746.41992	0.7
774.41034	0.6
825.47461	11.6
826.47290	1.9
843.48566	100.0
844.48865	19.7
844.65533	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08176	3.6
63.18752	1.1
64.65469	1.1
67.05520	1.3
67.23058	1.1
69.22051	1.2
71.07392	1.7
71.30032	2.3
78.22132	1.1
79.05450	1.0
81.07084	1.8
86.09705	14.4
91.05521	1.1
98.98460	2.0
107.57001	1.3
125.00038	8.8
181.50253	1.1
184.07339	41.2
184.08888	2.4
185.07675	6.1
202.32918	1.1
228.43311	1.1
394.20453	1.4
415.85202	1.4
460.45874	1.3
506.74283	1.5
662.50592	2.3
667.49121	1.2
675.43994	1.5
766.58148	1.4
780.56500	1.3
845.48041	100.0
846.48029	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98724	0.6
61.48109	0.7
69.03422	0.9
73.02923	0.8
81.07057	0.9
84.93257	0.8
86.09719	4.6
95.08627	1.2
98.22450	1.2
98.23158	4.4
104.10678	0.9
105.07019	1.0
125.00042	2.2
136.92003	0.7
159.71257	0.6
161.96187	0.7
184.07343	13.3
185.07796	1.2
203.83092	0.8
237.19002	0.7
241.64984	0.8
535.26508	1.0
613.82220	0.8
786.67499	0.9
819.16522	0.8
845.48102	100.0
846.48431	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08165	1.7
61.02930	4.5
65.03937	0.5
67.05504	4.2
69.03429	2.2
69.07075	1.4
69.24968	1.2
69.25386	1.5
71.04995	0.8
71.07381	1.1
73.02914	4.1
79.05496	6.3
81.03428	1.5
81.07048	4.7
83.04982	0.9
83.08640	0.6
85.02908	4.6
86.09703	10.4
87.04430	0.3
87.10059	1.3
91.03967	2.2
91.05478	5.8
93.07049	5.3
95.04975	1.3
95.08614	2.5
97.02890	3.7
98.98496	1.1
99.04452	0.6
101.02411	1.8
103.03957	0.8
104.10756	1.3
105.04502	0.5
105.07026	4.8
107.08588	2.5
108.26691	0.4
109.02930	1.0
109.10173	1.1
115.05487	0.6
117.07040	1.6
119.08566	3.3
121.10172	1.2
124.99997	6.7
126.00356	0.5
127.03943	1.0
129.07025	1.1
131.08612	1.5
133.10146	2.4
135.11745	0.9
143.08626	1.0
145.10162	1.4
147.11708	1.0
149.90443	0.3
150.05611	0.3
159.11664	0.4
161.13248	0.8
171.11713	0.7
175.14967	0.4
182.74960	0.3
184.07338	32.4
185.04237	1.3
185.07721	3.8
186.07756	0.5
226.28143	0.4
239.32924	0.4
243.08376	3.9
247.13145	0.8
259.20468	0.6
260.76379	0.3
301.09106	1.5
315.10428	0.8
333.20407	3.5
347.59415	0.4
369.15262	0.5
373.11200	0.5
389.23090	0.8
463.23398	0.4
465.20889	4.0
466.21222	0.5
495.21954	0.6
525.23669	0.5
535.28815	6.6
536.29523	0.7
551.28241	6.6
552.28540	0.5
623.31036	1.1
637.31720	0.4
759.43268	1.3
827.52106	0.5
845.50134	100.0
846.50549	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08168	1.4
61.02927	5.2
67.05498	5.0
67.05772	0.4
69.03419	2.8
69.07074	2.2
69.39022	2.8
71.04987	1.1
71.07390	1.1
72.84692	0.5
73.02908	3.8
78.61842	0.3
79.05490	5.8
81.03410	2.1
81.07059	6.2
83.05001	1.5
83.08630	1.0
85.02903	5.6
85.06515	0.4
85.57783	0.4
86.09704	8.5
87.04484	0.6
87.10025	0.5
91.03951	3.1
91.05473	4.0
93.07040	6.0
95.04990	0.9
95.08612	2.8
97.02889	4.1
97.06577	0.6
97.10174	0.7
98.98499	1.1
99.04462	1.0
101.02410	1.7
104.10775	1.0
105.07022	4.2
105.52889	0.4
105.85105	0.4
107.08595	3.2
109.02907	1.0
109.10191	1.7
111.08064	0.6
117.07063	1.2
119.08585	2.7
120.73473	0.4
121.06491	0.7
121.10191	1.4
123.08124	0.6
123.11716	0.5
125.00001	5.4
125.00718	0.4
127.03955	1.5
129.05516	0.7
131.08597	1.4
133.10123	2.2
135.11690	2.0
143.08537	0.7
145.10185	1.4
147.11780	1.4
157.10219	0.5
159.11745	1.0
161.13329	0.7
184.07339	27.3
185.04274	1.1
185.07770	1.2
203.05278	1.0
243.08398	3.8
243.10228	0.4
301.09113	1.3
306.20346	0.4
315.10529	1.4
333.20502	1.9
355.13586	0.5
373.10852	0.6
406.47702	0.5
429.17242	0.5
439.19516	1.1
453.21082	1.8
461.48849	0.4
465.21072	0.9
469.20795	0.9
470.97638	0.4
527.37360	0.7
535.28839	6.3
541.22339	0.8
551.28143	8.4
552.28888	1.5
623.30658	0.9
845.50128	100.0
846.50421	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.6
63.71306	0.3
65.03951	0.3
67.05503	4.0
69.03429	2.4
69.07065	1.6
71.01373	0.4
71.05007	0.4
72.95350	0.3
72.95847	0.3
73.02921	2.3
79.05489	4.6
81.03419	1.4
81.07056	4.2
83.04978	0.4
83.08626	0.5
85.02908	3.7
86.09727	1.1
91.03965	2.6
91.05476	3.4
93.07040	5.5
95.04984	1.0
95.08610	2.2
97.02871	3.0
99.04466	0.7
101.02386	1.5
103.03944	0.4
105.07007	2.7
107.04969	0.6
107.08615	2.2
109.02891	0.5
109.06535	0.5
109.10174	1.2
115.03938	0.4
116.12228	0.3
117.07032	0.8
119.08582	2.3
121.10162	1.4
125.00031	0.8
127.03933	1.1
129.05565	0.4
129.07054	0.6
131.08578	1.2
133.10133	1.9
134.27037	0.4
135.11734	0.8
143.08606	0.6
145.10170	0.8
147.11739	0.8
149.13271	0.5
159.11842	0.4
161.13275	0.5
184.07336	3.2
185.04263	0.9
188.44405	0.4
203.05338	0.5
243.08368	2.5
259.20691	0.5
301.09116	1.4
313.08963	0.4
315.10825	0.7
317.21124	0.5
333.20322	3.0
366.54120	0.4
369.15533	0.4
371.17139	0.4
373.11258	0.4
373.23557	0.4
383.16440	0.5
389.22995	0.7
431.24493	0.4
439.19620	0.7
453.21173	0.6
465.21078	0.8
469.20319	0.5
535.28680	7.0
536.29266	0.8
541.23297	0.5
551.28290	6.9
552.28601	0.5
623.30444	0.8
747.43402	0.4
832.77863	0.4
845.50116	100.0
846.50409	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08175	4.0
61.02935	6.2
65.20049	0.9
67.05524	10.2
69.03426	5.1
69.07081	3.5
71.07373	2.7
71.30187	1.4
73.02924	6.4
79.05486	10.6
81.03452	2.7
81.07050	10.9
83.05006	3.9
83.08644	2.6
85.02910	7.7
86.09704	24.2
87.10049	1.9
91.03966	4.3
91.05486	9.6
93.07040	10.1
95.04975	1.3
95.08595	6.7
97.02914	4.8
97.06561	1.9
98.98506	3.8
101.02413	2.3
104.10777	1.4
105.07051	6.7
107.08595	5.7
109.02902	1.8
109.10166	1.5
117.07008	2.6
119.08591	5.4
121.10182	3.8
125.00008	23.3
125.00868	1.9
125.09702	1.3
127.03926	2.1
129.07039	1.5
131.08588	2.9
131.10339	1.0
133.10182	3.3
135.11681	1.6
143.08669	1.5
145.10143	3.0
147.11674	2.6
157.10130	1.3
159.11711	1.4
161.13222	1.9
171.11693	2.4
184.07346	74.3
185.04205	2.6
185.07692	7.2
185.55594	1.3
201.16470	1.4
205.12172	1.2
221.90469	1.1
243.08406	6.8
247.13045	2.4
253.08768	1.2
270.62494	1.2
301.09076	2.6
307.89178	1.0
313.09955	1.2
317.21017	1.3
332.72391	1.3
453.21042	1.8
465.20966	16.5
466.21402	1.4
505.15222	1.8
533.27454	1.3
535.28839	14.9
536.29309	1.3
537.22992	1.7
551.27954	2.4
607.31073	2.0
627.18549	1.6
661.35907	1.4
689.34857	3.3
707.35138	1.6
747.42786	4.7
748.42328	1.4
759.42847	100.0
760.43054	14.6
827.49176	12.1
828.49396	2.3
845.49561	88.1
846.49731	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08165	3.4
61.02928	5.6
66.14167	0.3
67.05508	5.4
69.03430	3.5
69.07072	2.4
69.88931	0.4
70.55372	0.3
71.04953	0.6
71.07362	2.1
72.07697	0.4
73.02567	0.4
73.02917	4.4
79.05074	0.4
79.05498	5.4
79.96063	0.3
81.03415	2.0
81.06645	0.4
81.07055	5.0
81.41884	0.3
83.08604	0.6
85.02906	5.4
86.09708	17.7
87.04479	0.5
87.10018	1.8
91.03963	3.4
91.05489	2.6
93.07039	4.4
95.04935	1.2
95.08609	4.4
97.02369	0.4
97.02893	4.4
97.06499	1.2
97.10137	0.6
97.50562	0.4
98.98476	2.0
99.04433	1.1
101.02373	1.8
103.03921	0.4
104.10729	1.3
105.07010	1.6
107.08595	2.5
109.02852	0.8
109.06509	0.4
109.10153	1.6
115.03853	0.4
117.07011	0.5
119.08524	1.1
121.10133	2.1
123.08186	0.4
124.99999	12.1
126.00339	0.8
127.03889	1.1
131.08575	1.0
133.10075	0.9
135.11682	0.8
137.05696	0.4
145.04939	0.4
145.10110	0.4
147.11687	0.6
159.11682	0.7
161.13205	0.5
184.07341	62.1
185.04201	0.8
185.07700	7.5
243.08391	1.6
335.25778	0.7
349.19858	9.5
350.20300	0.6
379.62872	0.4
439.19562	0.9
453.20691	0.6
519.29236	4.7
520.29749	0.6
567.27753	2.3
601.32788	0.4
747.41467	0.4
759.43341	1.2
795.53790	0.6
845.50079	100.0
846.50372	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.5859
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85083	0.2
60.08163	5.3
61.02914	0.2
61.68439	0.2
67.05497	0.8
71.07372	3.3
71.30447	0.3
72.71114	0.2
77.06923	0.2
79.05511	0.3
81.07046	0.7
83.04992	0.2
83.08602	0.3
86.09706	25.8
87.10046	0.5
91.05474	0.7
93.07037	0.6
93.63647	0.2
95.04971	0.3
95.08601	0.6
98.98463	2.9
101.61059	0.2
104.10746	2.6
105.07008	0.3
107.08562	0.3
109.10155	0.3
117.07047	0.3
125.00005	18.6
133.47681	0.2
157.10060	0.3
184.07343	100.0
185.07715	1.8
185.80919	0.2
203.17830	0.2
247.45639	0.2
302.43332	0.2
337.27203	0.5
602.78577	0.2
674.43365	0.9
728.48407	1.5
778.53772	0.3
796.54071	0.9
846.49207	5.0
847.51385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	6.7
67.05515	5.8
69.03437	4.0
69.07065	3.2
69.89091	2.9
69.89482	3.0
70.75986	1.4
73.02930	4.0
79.05503	4.4
81.07055	8.2
81.10725	1.2
85.02911	6.1
86.09714	3.2
91.03966	3.2
91.05489	2.6
93.07071	3.6
95.08636	4.4
97.02909	5.6
99.04453	1.3
101.02391	3.2
105.07029	2.4
107.08633	2.3
109.10157	2.1
119.08580	1.8
125.00073	3.3
127.03913	1.7
184.07338	10.4
201.76718	1.4
203.76193	1.4
270.96011	1.3
345.45410	1.4
351.21637	1.8
360.11768	1.6
466.62830	1.4
470.86893	1.5
512.96613	1.5
519.29309	5.7
569.29645	4.7
678.58783	1.5
847.51770	100.0
848.52191	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	3.9
61.02927	10.4
65.03938	3.0
67.05503	100.0
69.03431	2.5
69.07066	8.0
69.16716	6.5
71.04995	2.9
71.08604	1.1
73.02910	3.5
77.03919	0.8
79.05490	17.7
81.03420	1.5
81.07054	38.2
83.08618	8.4
85.02903	13.5
85.06539	3.2
86.09700	1.5
91.03956	8.4
91.05482	14.4
93.07041	23.5
95.04971	1.6
95.08605	27.5
96.04485	0.9
97.02887	8.2
97.06538	1.1
97.10178	2.6
99.04456	1.3
99.08053	0.9
105.07021	6.9
107.08587	15.3
108.08864	0.7
109.10153	81.5
110.10488	1.7
111.08076	3.3
117.07021	3.1
119.08559	11.4
121.10148	10.4
123.11723	3.9
124.99989	0.8
125.09621	1.5
126.29896	0.7
127.03912	3.6
131.08569	7.0
133.10107	4.4
135.11700	8.9
137.09593	4.3
137.13239	0.9
143.15527	0.8
145.04945	4.6
145.10126	4.3
147.11707	3.5
149.13235	4.7
149.38293	0.7
155.10736	5.3
159.11661	4.4
161.13231	3.3
163.06001	5.0
163.14819	2.9
173.11763	21.4
173.13260	4.1
175.14801	0.9
177.16257	0.7
184.07361	3.5
187.14819	1.5
189.11240	0.9
227.12741	6.2
229.14342	97.2
230.14619	2.8
233.22545	1.0
243.21077	5.5
261.22125	19.2
273.22336	0.7
279.23239	0.9
317.24612	3.1
320.43445	0.7
335.25790	60.6
336.26172	4.2
379.29776	1.2
397.30734	1.4
415.31808	1.4
442.82672	1.0
471.34802	2.0
483.19089	0.8
489.35742	38.0
490.36417	3.4
507.36850	3.7
682.94202	0.9
848.51453	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05007	2.8
61.02928	11.4
65.03944	3.3
67.05505	100.0
68.05835	1.7
69.03435	2.6
69.07069	7.1
71.05006	4.2
73.02930	3.5
78.98781	0.6
78.99464	0.6
79.05493	21.9
81.03423	1.9
81.07058	39.2
83.04988	2.2
83.08617	8.9
85.02908	15.0
85.06022	0.6
85.06548	2.9
88.76402	0.8
91.03956	9.7
91.05482	16.7
93.07042	27.1
94.07355	0.7
95.04977	2.6
95.08606	27.7
96.04516	0.7
97.02898	7.0
97.06546	1.9
97.10180	2.5
98.11903	0.6
98.22863	3.4
99.04447	1.6
99.08087	1.3
103.03912	0.7
105.07041	8.7
107.08598	16.1
109.06525	1.0
109.10155	85.0
110.10491	2.0
111.08070	3.6
113.09667	1.0
115.03921	1.3
117.07003	3.2
119.08575	12.0
121.10137	12.7
123.08154	0.9
123.11736	3.7
124.99950	0.7
125.09671	2.0
127.03926	4.3
131.08583	6.5
133.10123	7.3
135.08109	0.8
135.11716	9.0
137.09613	2.9
137.13194	1.2
139.11224	0.7
145.04953	3.5
145.10098	5.0
147.11707	3.4
149.13264	5.1
155.10664	6.0
159.11763	3.7
161.13274	3.3
161.71922	0.7
163.05997	4.4
163.11102	0.7
163.14868	2.5
171.11676	0.7
173.11774	20.5
173.13264	4.0
175.14807	1.9
177.16333	1.0
184.07291	3.1
187.14859	1.9
189.11273	1.3
201.16403	0.7
219.53490	0.7
227.12759	6.0
229.14345	91.3
230.14735	3.6
233.22607	0.9
238.16512	0.6
243.20998	5.2
261.22159	20.7
262.22504	1.0
299.23694	1.2
317.24854	3.6
335.25793	81.7
336.26114	4.9
369.23575	0.6
379.30032	1.3
397.31079	1.6
415.31808	1.2
428.25748	0.7
433.33191	0.8
438.46033	0.8
461.48102	0.7
471.34506	1.9
489.35733	71.7
490.36014	5.8
507.36896	5.2
848.49945	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	5.1
65.03951	1.9
67.05507	33.5
69.03419	4.7
69.07066	8.5
71.04993	3.4
71.29119	1.8
73.02914	1.4
79.05496	44.9
79.05959	2.2
79.77601	1.0
81.03419	44.9
81.07061	32.3
83.04981	15.7
83.08621	14.1
85.02906	17.4
85.06529	2.0
91.03941	2.5
91.05482	47.0
92.05813	1.2
93.07046	40.6
94.97142	1.0
95.04972	26.9
95.08606	18.3
96.43295	1.3
97.02888	4.8
97.06540	3.6
97.10179	3.3
98.33448	1.1
105.07031	33.3
107.04958	6.9
107.08601	12.2
108.63026	1.1
109.06543	6.7
109.10127	2.7
111.08081	4.4
113.05970	1.1
115.05454	2.3
117.07043	6.3
117.59705	0.9
119.08589	19.1
121.06476	2.4
121.10123	6.5
123.08068	4.9
123.11678	1.1
125.09706	1.5
128.06233	1.3
129.07019	15.8
131.08559	10.0
133.06427	1.2
133.10139	12.2
142.07761	1.8
143.08566	3.9
145.05054	1.3
145.10104	5.7
147.08092	2.4
147.11688	25.0
148.11908	1.4
149.09604	4.6
157.10146	6.8
161.09631	2.1
161.13255	5.8
163.06253	1.2
163.11151	1.3
165.12799	1.3
171.11687	13.0
175.11186	7.7
189.12732	3.4
193.12245	21.5
207.13789	13.3
211.13289	28.1
267.15897	37.6
268.16455	1.5
281.17471	47.1
282.17624	2.9
284.20789	1.2
285.16974	30.5
441.65134	1.3
473.28983	100.0
474.29376	11.6
491.30066	63.8
492.30331	9.8
614.22577	1.4
635.34888	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	4.9
65.03944	3.2
67.05504	49.6
69.03436	3.2
69.07068	10.3
71.05000	2.3
71.30869	2.4
73.02905	1.8
77.03922	1.8
79.05495	65.5
81.03417	52.4
81.07057	44.6
83.04976	17.8
83.08615	19.2
85.02908	17.9
85.06509	2.1
91.03943	3.9
91.05476	50.6
93.07040	49.0
95.04967	30.7
95.08601	18.8
97.02914	5.0
97.06539	3.3
97.10178	4.4
99.62819	1.7
101.19221	1.5
105.04538	1.8
105.06376	3.2
105.07030	43.8
107.04935	8.6
107.08582	14.7
109.06523	5.7
109.10161	4.3
111.04425	2.0
111.08050	8.1
117.07034	6.7
119.08578	25.5
121.06483	3.4
121.10133	7.7
123.08044	3.9
128.06209	2.5
129.07014	19.7
131.08586	9.0
133.10146	14.8
135.11697	3.3
137.09628	1.7
142.07794	2.8
143.08533	8.1
145.04988	1.9
145.10124	7.7
147.08060	4.7
147.11687	35.5
149.09612	3.7
157.10139	7.9
161.09680	2.0
161.13263	7.3
171.11678	19.0
175.11218	7.6
189.12756	10.6
193.12233	23.7
207.13800	28.1
211.13284	30.6
211.58560	1.8
267.15906	36.5
281.17465	97.8
282.17883	5.5
285.16995	26.4
286.17303	1.8
303.05118	1.7
455.27725	2.4
473.28952	100.0
474.29398	9.8
491.30035	94.7
492.30249	9.6
635.33777	2.5
680.41699	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
60.37127	0.5
61.02932	3.5
65.03938	1.4
67.05505	17.6
69.03419	2.9
69.07072	5.2
71.04994	3.9
71.30857	0.9
73.02915	2.3
74.69896	0.7
76.22263	0.7
78.93459	0.6
79.05491	25.6
80.05830	0.7
81.03416	33.9
81.07059	21.5
82.03767	0.7
83.04981	9.2
83.08620	17.3
85.02906	16.1
85.06532	1.9
91.03946	2.1
91.05475	20.7
92.05834	0.8
93.03413	0.7
93.07042	30.6
94.07366	0.6
95.04967	17.9
95.08604	25.2
95.17708	0.6
97.02889	6.3
97.06508	4.1
97.10166	2.0
99.04458	2.6
99.08138	1.0
103.05466	1.1
105.04508	0.9
105.07021	12.8
107.04964	10.1
107.07867	1.0
107.08595	21.2
108.08971	0.8
109.06519	3.7
109.10125	3.1
111.04461	2.4
111.08059	6.1
113.06023	2.0
115.05510	0.8
117.07007	5.9
119.08584	16.8
121.06513	5.8
121.10139	13.4
123.08068	2.4
123.11710	1.5
125.06001	2.1
125.09619	1.1
127.03927	1.3
128.06331	0.7
129.07001	5.4
130.07791	1.3
131.08565	6.2
133.06519	1.2
133.10123	7.2
135.08092	1.2
135.11688	32.7
136.12067	1.0
137.05963	1.0
137.09592	0.8
139.03819	0.7
139.07541	1.7
142.07762	2.0
143.08565	1.0
145.10118	21.4
147.08051	1.8
147.11678	6.7
149.09570	3.0
153.12717	0.7
157.10107	7.7
163.05966	0.8
163.11177	48.6
164.11514	2.0
165.12746	1.6
173.09647	1.3
175.11189	8.7
181.12241	8.7
193.12242	24.8
193.14015	1.2
194.12602	1.2
209.11726	1.6
211.11272	0.9
211.13278	26.5
212.13658	1.1
217.56535	0.6
220.73090	0.7
227.12766	46.9
228.13152	2.3
267.15906	31.0
267.18814	1.6
268.16364	1.5
283.15402	52.8
284.15738	2.1
285.16965	40.9
286.17349	1.4
351.38937	0.7
409.81631	0.7
449.61298	0.7
475.26877	37.2
476.26990	3.6
493.27939	100.0
494.28351	9.6
637.31531	1.0
764.13934	0.8
866.32544	0.8
872.53851	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	6.1
65.03934	1.0
67.05502	13.5
69.03432	2.9
69.07069	4.2
70.45812	1.4
70.46164	0.5
71.01334	0.6
71.04994	3.5
73.02911	2.0
79.05013	0.7
79.05099	0.4
79.05492	17.6
81.03418	35.0
81.07057	18.6
82.03748	0.8
82.07392	0.7
83.01349	3.4
83.04984	13.9
83.08620	16.1
85.02906	18.5
85.06523	1.1
91.03957	5.2
91.05479	19.4
93.07040	17.7
95.04967	14.1
95.05550	0.8
95.08594	7.8
96.05293	0.6
97.02888	6.2
97.06526	3.9
97.10169	2.6
99.04468	1.8
99.08090	0.9
105.04499	0.9
105.07026	12.7
107.04951	7.7
107.08592	9.2
109.02887	0.6
109.06522	5.2
109.10168	2.3
111.04466	3.1
111.08074	5.2
113.05997	0.7
115.05444	1.3
117.07010	4.1
119.04946	0.7
119.08582	12.9
120.08889	0.6
121.06546	2.8
121.10146	6.1
123.04404	0.8
123.08069	5.4
125.06013	1.5
125.09620	1.9
127.03944	1.3
129.05524	0.5
129.06996	6.5
130.07791	0.8
131.08562	6.4
133.06511	1.7
133.10121	6.2
135.08054	1.4
135.11694	6.4
137.09641	1.5
142.07744	1.4
143.08556	0.8
145.05000	2.3
145.06494	0.8
145.10115	8.5
147.08049	2.0
147.11691	7.4
149.09625	2.8
153.12756	1.4
155.08528	0.8
157.10115	7.4
163.06029	1.8
163.11176	11.0
165.12775	1.3
173.09575	2.5
175.11171	6.9
178.02644	0.4
181.12231	1.3
188.91402	0.5
191.10674	1.4
193.12233	19.7
203.46687	0.5
209.11713	3.4
211.13290	30.5
212.13675	1.4
221.85043	0.5
227.10797	0.6
227.12703	2.7
242.62531	0.4
265.14279	0.6
267.15918	8.8
268.16315	1.2
283.15393	42.5
284.15707	3.0
285.16959	26.6
286.17368	1.7
365.21378	0.9
383.22272	1.7
401.23563	1.1
457.25885	4.0
458.26382	0.5
475.26855	15.4
476.27386	1.0
493.27948	100.0
494.28339	9.8
637.31641	1.0
855.65656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02942	1.0
65.03941	2.7
65.79803	0.9
67.05505	44.7
69.03427	9.2
69.07069	29.1
69.07351	0.5
69.42237	3.4
69.42656	2.3
69.69461	0.8
71.04994	4.0
79.05495	39.5
81.03429	6.4
81.07059	51.0
83.04981	9.7
83.08625	9.2
85.02882	1.9
85.06535	3.3
86.09666	1.3
86.37426	0.9
91.05483	46.8
92.05823	1.8
93.07046	34.6
95.01340	1.6
95.04970	13.4
95.06264	1.0
95.08040	1.8
95.08607	19.3
95.53829	0.8
97.02879	7.2
97.06535	6.7
97.10175	8.8
98.23090	3.0
99.04472	1.4
103.05469	2.0
105.04522	1.3
105.07033	38.8
106.07331	1.1
107.04946	12.8
107.08598	27.5
109.06540	8.4
109.10154	31.1
111.04440	1.7
111.08089	3.7
115.05448	2.3
117.07011	12.2
119.04951	2.2
119.08585	16.4
121.06501	8.9
121.10139	8.0
123.04434	1.0
123.08066	3.9
123.11738	5.8
125.09623	7.0
127.07511	1.1
128.06261	2.9
129.07024	5.2
130.05537	1.0
130.07835	1.4
131.08568	14.8
133.06488	5.8
133.10126	38.3
134.07256	1.3
134.10454	1.9
135.08058	8.4
135.11696	4.8
137.05853	0.8
137.09592	4.6
141.06989	1.3
142.07742	1.2
143.08595	6.6
145.06509	1.8
145.10098	8.4
147.08069	7.5
147.11653	5.1
149.09625	6.2
149.13268	2.3
151.11182	18.2
153.09134	1.2
155.08479	1.3
157.10115	5.6
159.08043	3.0
159.11714	4.6
161.09651	7.0
161.13318	1.6
162.10403	1.2
163.07555	1.5
163.11169	3.4
165.09145	1.6
169.10193	2.1
169.12186	4.2
171.11632	4.4
173.09596	1.7
173.13155	1.0
175.11195	5.2
177.09084	2.4
177.12746	1.9
179.10658	2.5
183.11711	1.3
184.07349	1.4
185.09651	1.6
185.13292	2.6
187.11157	1.3
189.11211	3.0
189.12782	1.7
191.14345	0.9
193.12334	1.4
195.13838	1.4
197.13341	1.0
199.11232	1.4
203.14243	1.0
205.12155	1.4
209.13341	1.1
211.13266	1.2
215.12817	1.9
220.14951	0.9
223.11333	1.5
223.13304	13.2
227.12862	2.6
227.17963	1.7
231.17400	1.1
233.15295	1.0
245.19032	3.2
249.14917	2.0
251.12776	2.7
253.14342	49.8
254.14755	1.9
255.17412	3.5
263.20129	2.5
267.15900	1.9
271.15140	1.2
273.18488	32.9
274.18680	1.5
275.20203	1.2
291.19547	100.0
292.19904	4.3
293.21255	1.0
309.20593	1.9
347.22220	11.7
349.23676	1.2
365.23224	41.4
366.23541	2.1
543.33191	3.4
557.34674	1.5
561.34448	10.4
637.40839	8.7
638.40991	1.6
655.42053	28.1
656.42120	2.9
669.46661	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	0.8
65.03934	3.4
67.05505	49.5
68.05842	1.5
69.03436	10.0
69.07068	26.0
71.01347	0.7
71.04998	4.9
77.03907	1.0
78.50882	0.8
79.05491	39.7
81.03421	6.7
81.07056	50.5
83.04987	10.2
83.08611	9.3
85.02911	1.6
85.06527	4.8
86.09748	1.2
87.32154	0.8
88.00100	0.7
91.05482	43.2
92.70983	0.8
93.07044	33.1
94.07385	1.1
95.04964	13.1
95.08036	1.5
95.08608	18.2
97.02887	7.1
97.06525	6.0
97.10160	9.6
99.04443	1.4
99.35778	0.9
103.05476	2.0
105.03374	1.5
105.04528	1.7
105.07028	37.9
106.07363	0.9
107.04954	12.0
107.08595	29.9
109.02905	1.7
109.06528	7.3
109.10154	36.9
110.10500	1.3
111.04446	2.0
111.08099	2.6
113.05996	1.4
115.05467	2.2
116.06237	1.3
117.07020	9.8
119.04927	1.4
119.08578	16.4
120.05733	0.8
121.06508	9.0
121.10130	7.4
123.08072	4.0
123.11688	6.0
125.09624	7.8
127.07569	1.8
128.06209	2.6
129.07001	5.4
130.07808	2.0
131.04945	0.8
131.08554	13.3
132.05725	1.0
133.06467	6.4
133.10123	40.8
134.07304	1.0
134.10452	1.4
135.08049	8.3
135.11723	4.3
137.05838	1.3
137.09581	1.9
139.07555	1.1
141.06989	1.4
143.08545	6.2
145.06502	1.5
145.10147	8.2
146.07265	0.8
147.08064	7.2
147.11682	4.8
149.09587	4.8
149.13252	1.6
151.07518	0.8
151.11180	17.9
151.12325	1.5
152.11501	0.9
153.09093	2.0
157.10143	3.9
159.08064	2.2
159.11678	4.4
161.09628	7.2
161.13329	2.1
163.11108	3.7
165.09053	1.6
169.10197	1.1
169.12270	3.9
171.11674	1.6
173.09642	1.8
173.13281	1.0
173.80266	0.8
175.11165	4.6
177.09177	2.3
177.12773	1.1
179.10698	2.2
184.07368	2.1
185.09512	1.0
185.13277	2.2
187.11108	1.1
189.11241	2.4
189.12839	1.4
193.12238	1.1
195.13725	1.2
203.14334	1.2
205.12204	1.9
211.13187	0.8
215.12813	2.5
223.13280	11.8
227.12804	3.3
227.17944	1.3
237.16466	1.0
245.18918	4.2
249.14865	3.9
251.12761	2.4
253.14346	81.0
254.14726	3.4
255.17516	3.9
263.20084	2.5
273.18484	29.0
273.21497	1.7
274.18921	1.2
291.19537	100.0
292.19849	6.5
309.20486	2.2
329.21210	1.5
347.22205	9.5
365.23224	38.7
366.23608	3.3
423.23935	1.4
543.33197	4.5
559.32288	1.6
561.34198	18.0
562.34314	1.3
575.35840	1.4
637.41095	5.5
638.41064	1.2
655.31720	1.5
655.41980	18.8
656.42181	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	5.2
66.28732	0.8
67.05504	28.9
68.18993	0.8
69.03411	1.6
69.07069	11.5
71.01341	2.6
71.04988	2.8
71.08633	12.4
73.02896	1.8
78.68372	0.9
79.05492	21.0
80.05838	1.0
81.03408	3.7
81.07052	18.7
81.17865	0.8
82.07442	0.9
83.04978	6.3
83.08623	6.5
85.02913	6.5
85.06528	1.4
85.10187	7.9
86.10489	0.9
91.03967	4.0
91.05478	10.6
93.07038	26.5
95.04974	2.2
95.08613	13.9
97.02898	3.9
97.06540	7.4
97.10159	9.6
99.08098	0.9
105.07027	2.8
107.07858	1.1
107.08588	19.6
109.10168	7.3
110.10503	0.7
111.08069	1.1
117.07006	2.7
119.08576	3.1
121.10176	4.8
123.11710	2.4
125.09604	2.2
127.03903	2.3
133.10136	3.2
135.11688	31.9
136.12003	1.0
137.09564	1.5
143.08626	0.8
145.04950	1.8
145.10123	6.6
147.11615	0.8
163.05975	2.0
163.11174	3.3
177.05925	0.8
181.12234	7.9
182.12540	0.8
184.07359	2.1
185.50504	0.8
199.13295	1.4
228.82721	0.9
239.23764	1.5
255.15907	100.0
256.16168	4.3
257.24750	1.4
275.19992	1.3
298.99573	0.9
313.27341	41.8
314.27737	2.6
335.25836	1.7
349.23898	1.0
371.14685	0.9
493.38843	76.4
494.39294	7.0
503.25455	0.9
547.08252	0.9
609.45184	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	9.8
65.03938	1.7
67.05503	29.9
68.05839	0.4
69.03427	7.2
69.07065	8.7
69.20678	0.8
69.21096	2.5
71.01347	0.5
71.04985	6.2
73.02918	3.5
77.03921	0.6
79.05491	35.1
80.05807	0.5
81.03414	100.0
81.07052	36.3
82.03751	1.6
82.07388	0.9
83.04978	20.2
83.08614	33.0
85.02901	47.8
85.06537	3.2
86.03262	0.7
87.04475	0.6
91.03957	6.4
91.05477	46.6
92.05824	1.0
93.07040	23.8
94.07391	0.8
95.04964	41.3
95.08601	14.8
95.09225	0.4
96.05306	0.8
96.08933	0.4
97.02887	10.2
97.06524	4.8
97.10166	6.3
99.04454	1.4
99.08070	1.9
103.05445	0.9
105.04517	0.9
105.07025	32.9
106.07339	0.8
107.04955	10.4
107.08591	9.9
107.09283	0.7
108.08952	0.4
109.02889	0.9
109.06516	6.6
109.10157	4.8
111.04440	3.6
111.08073	13.9
113.06002	4.6
115.05434	2.5
117.07022	2.9
119.04936	1.2
119.08578	29.8
120.08945	0.8
121.06483	3.1
121.10141	14.3
122.10465	0.6
123.04425	0.5
123.08064	3.7
123.11695	2.8
125.05991	0.7
125.09621	2.7
127.03923	1.8
127.07566	1.0
128.06223	1.2
129.05519	0.8
129.07004	17.8
130.07381	0.5
131.08562	16.7
133.06514	4.3
133.10124	16.0
134.10448	0.7
135.08073	0.9
135.11670	0.7
137.05966	0.5
137.09610	2.9
141.06969	0.6
142.07755	4.8
143.08476	0.6
145.05009	1.8
145.06468	1.3
145.10092	3.2
147.08058	4.7
147.11674	21.8
148.12079	0.7
149.09607	9.1
149.10686	0.6
150.10060	0.5
151.11205	1.3
155.08528	0.7
157.10121	21.0
158.10490	0.8
159.08026	0.4
163.06032	1.7
163.11179	1.6
165.12758	4.0
165.52000	0.3
171.07976	0.5
171.11707	0.5
175.11176	23.1
176.11514	0.9
189.11162	0.9
193.12233	65.3
194.12534	2.3
211.13281	90.8
212.13593	3.6
229.14296	0.6
233.15427	0.6
249.14897	1.5
267.15897	45.2
268.16299	2.6
273.14899	0.9
285.16949	80.4
286.17294	3.7
311.23328	0.5
319.15524	0.4
337.16727	0.4
339.23410	0.4
349.21445	1.0
357.24396	0.6
367.22705	3.0
368.22769	0.6
385.23764	5.2
403.25049	2.1
429.21042	0.4
433.25858	1.9
441.26218	1.6
459.27396	26.7
460.27579	3.0
465.76959	0.4
477.28455	30.2
478.28763	2.5
495.29498	80.5
496.29797	6.5
574.21515	0.5
621.32660	0.7
639.33392	1.2
641.40741	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.438
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	2.3
64.01792	1.2
65.03935	2.5
66.28320	1.0
67.05505	32.8
69.03434	7.7
69.07069	9.2
70.55692	2.3
70.56015	1.5
71.04980	7.5
73.02908	1.0
77.03944	1.0
79.05493	36.8
79.56617	0.9
81.03417	100.0
81.07056	39.3
82.07396	1.5
83.04982	21.3
83.08619	35.7
85.02906	37.3
85.06561	2.8
91.03947	2.3
91.05479	47.1
92.05788	1.2
93.07045	23.4
95.04967	39.5
95.08598	14.7
96.18268	1.3
97.02897	7.2
97.06518	7.8
97.10152	6.1
99.16898	1.0
105.07027	35.4
107.04953	12.3
107.08582	11.6
109.06538	9.1
109.10170	4.6
111.04455	4.8
111.08080	13.5
113.06005	3.5
115.05485	3.1
117.07017	2.4
118.34512	1.3
119.04967	1.3
119.08580	28.7
121.06501	4.2
121.10136	14.3
123.04404	1.2
123.08074	3.3
123.11704	2.6
125.09648	1.7
127.03902	2.7
128.06226	1.4
129.07011	18.0
131.08568	19.3
133.06497	5.9
133.10139	17.4
135.08026	1.6
135.11710	1.4
137.09628	3.2
142.07785	5.0
145.06544	1.9
145.10161	3.9
147.08012	5.4
147.11676	24.6
148.12016	2.0
149.09642	10.4
151.11137	1.2
157.10126	21.3
163.11215	2.9
165.12767	6.5
166.94229	1.4
171.04449	1.1
175.11169	22.2
184.35129	1.3
193.12241	66.8
194.12613	4.0
211.13287	97.2
212.13596	2.6
216.39185	1.1
231.52780	1.2
249.14885	1.7
267.15900	52.4
268.16299	3.0
273.14935	1.4
276.49994	1.2
285.16962	88.5
286.17255	4.3
301.14386	1.2
367.22614	3.5
385.23697	5.1
403.24789	2.2
433.25854	3.2
441.26022	2.3
459.27383	37.2
460.27563	3.5
477.21527	2.2
477.28476	41.4
478.28790	4.6
495.29492	87.5
496.29877	10.5
566.17285	1.3
639.33643	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	4.1
67.05507	59.7
69.03429	10.3
69.07070	38.7
69.07458	1.4
71.04997	6.0
76.42020	1.2
76.92693	1.1
77.21866	1.2
79.05493	53.6
81.03410	12.9
81.07056	63.8
82.07388	1.9
83.04976	10.6
83.08623	13.5
85.02908	4.7
85.06545	3.6
91.03915	1.4
91.05480	53.3
93.07046	50.6
94.28881	1.2
95.04974	14.0
95.08601	29.0
96.08988	1.3
97.02900	10.6
97.06528	13.5
97.10165	12.7
97.91876	1.3
98.22552	2.6
99.04431	1.7
99.08067	2.7
103.05457	1.2
105.07030	38.7
106.07414	1.9
107.04938	13.0
107.08599	31.1
109.02927	2.1
109.06538	7.5
109.10159	20.0
111.04428	2.0
111.08093	5.5
115.05453	2.9
117.07026	14.8
119.04927	2.0
119.08581	24.0
121.06495	7.3
121.10143	15.1
123.08093	5.8
123.11690	6.1
125.09623	12.3
127.03921	3.4
127.07528	1.3
128.06241	2.1
129.06979	9.2
131.08572	19.9
133.06526	5.0
133.10130	30.5
135.08040	7.6
135.11700	13.3
137.05949	1.8
137.09599	5.1
141.06993	1.6
143.08568	7.7
145.06438	2.7
145.10147	14.1
147.08032	8.4
147.11687	6.8
149.09631	13.4
149.13248	9.8
151.11157	10.9
153.09099	1.7
155.08549	1.5
157.10080	6.1
159.08063	1.5
159.11684	11.0
161.09663	5.5
161.13249	4.3
163.11197	5.2
165.09126	2.0
167.14331	1.3
169.10138	3.3
169.12280	2.0
171.11710	5.1
173.09663	1.4
173.13271	4.8
175.11244	3.0
177.12788	4.3
179.14270	2.0
183.10156	1.4
183.11694	2.5
184.07373	1.8
189.11249	5.1
189.12766	2.2
193.12338	2.4
195.13824	7.0
197.13249	2.4
199.11230	1.7
200.05637	1.5
205.12105	1.7
215.12698	1.7
223.13263	13.9
227.12781	7.8
227.18062	2.0
229.19609	1.6
233.15321	1.7
245.19052	2.7
247.20602	2.1
249.14864	3.1
253.14328	22.5
255.15694	8.0
257.18991	6.3
263.20142	1.8
269.17468	27.1
273.18469	23.3
275.20041	19.4
282.05679	1.4
291.19543	100.0
292.19977	5.9
293.21048	1.6
300.18405	1.4
309.20691	2.5
347.22247	5.7
349.23819	12.6
365.23215	38.1
365.27643	2.2
447.27090	1.6
465.27884	1.9
479.29852	1.4
527.33429	2.2
541.35223	2.6
543.36969	1.5
545.34711	17.6
546.35168	1.7
559.36273	62.6
560.36456	7.3
639.42517	14.0
657.42969	3.2
686.40948	1.5
854.45819	7.8
855.45026	2.4
863.30682	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	1.6
61.89362	0.7
65.03944	4.6
67.05508	54.9
69.03434	13.6
69.07069	41.8
71.05020	5.4
73.02901	1.2
77.03978	1.3
79.05496	55.4
81.03422	10.3
81.07058	55.0
82.07433	0.9
83.04990	8.6
83.08616	12.9
85.02903	3.6
85.06540	3.8
89.56930	0.8
91.05482	46.6
91.33604	0.7
93.07043	43.8
93.81293	0.8
95.01346	0.8
95.04974	14.2
95.08609	25.6
97.02892	9.3
97.06531	13.6
97.10174	16.9
97.10772	1.3
98.22620	4.0
98.23342	4.4
99.04481	1.1
99.08105	2.6
102.17327	0.8
103.05470	2.3
105.03377	0.9
105.04498	2.1
105.07036	32.7
106.07365	0.9
107.04951	15.0
107.08593	30.5
108.08930	1.3
109.02897	2.3
109.06518	7.2
109.10155	14.3
111.04459	2.6
111.08071	4.1
115.05501	2.5
116.06254	1.2
117.07019	15.8
119.04951	1.8
119.08581	23.6
120.08901	1.2
121.06532	7.2
121.10135	10.6
123.04418	1.1
123.08097	6.0
123.11733	3.2
125.09624	14.3
127.03928	1.6
128.06181	2.1
129.07013	6.3
130.07823	1.0
131.04991	0.9
131.08562	18.6
132.05663	1.1
133.06523	3.8
133.10127	18.3
134.07225	1.2
135.08051	6.2
135.11684	9.7
137.09621	4.2
139.11212	1.1
141.07033	3.1
142.07834	1.8
143.08551	6.0
145.06534	1.4
145.10133	14.3
147.08058	7.3
147.11687	8.7
149.09608	9.8
149.13264	8.1
151.11224	2.1
153.09119	1.9
153.12790	1.1
155.08600	2.0
157.10158	6.3
159.08052	1.9
159.11676	10.9
161.09581	4.1
161.13283	3.1
163.11185	8.1
165.09143	2.1
165.12811	1.1
169.08794	0.9
169.10155	3.3
171.10274	2.0
171.11719	4.4
173.09680	1.5
173.11948	1.0
173.13214	4.0
175.11198	4.1
177.12714	4.3
179.10838	1.3
179.14381	2.1
181.12334	1.2
183.11742	1.8
185.13213	1.9
187.11226	1.8
189.11256	5.8
189.12727	1.8
193.12260	1.8
195.11861	0.8
195.13817	3.9
201.12709	1.4
205.12210	2.8
223.13272	18.8
223.15276	1.2
227.12778	13.8
227.17990	1.1
229.19383	1.5
230.07861	1.2
239.18050	2.1
245.19104	2.4
247.20673	2.1
248.47568	1.1
249.14897	3.7
253.14342	4.6
254.98027	1.0
255.15800	5.1
255.23842	0.8
257.19031	7.0
261.14877	1.0
261.18625	1.0
267.15790	2.1
269.17453	14.1
273.18491	16.3
275.20059	25.9
275.22992	1.7
291.19543	100.0
292.19760	4.4
293.21106	1.8
309.20514	1.6
331.22729	1.3
347.22144	3.6
349.23721	21.5
350.24161	1.7
365.23257	31.6
366.23505	2.8
367.24710	1.3
413.21585	1.7
461.28586	1.3
508.33844	1.0
519.33289	1.2
527.33765	0.9
535.32269	1.4
541.35364	1.9
543.36328	1.1
545.34729	10.0
546.34717	1.1
559.36292	38.0
560.36475	2.4
564.16144	0.9
621.41083	2.3
639.42456	23.0
640.42542	2.3
657.43158	2.4
854.45697	1.3
855.44141	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
65.54280	0.4
67.05481	0.4
70.53236	0.8
70.53564	0.4
71.69279	0.5
85.02917	0.7
90.45189	0.4
93.07033	0.5
94.06540	0.8
96.08110	1.1
97.02864	0.4
97.06523	0.5
106.06549	0.5
108.04466	0.8
108.08100	1.4
110.06027	1.4
110.09663	1.7
116.04956	1.1
120.08063	1.1
122.06022	3.8
122.24046	0.4
123.04445	0.4
124.07599	1.9
134.05981	0.5
136.07565	2.2
138.05502	0.4
138.09117	2.3
139.03880	1.4
140.04248	0.6
144.04449	3.2
146.06042	0.9
148.07549	0.7
149.07050	0.9
150.05482	1.5
152.07071	2.2
158.06024	0.4
158.09674	1.0
160.07568	1.4
162.05492	1.1
164.07068	0.5
166.08638	2.8
170.09596	0.5
172.03934	22.1
172.07570	0.9
173.04338	0.6
174.05482	0.5
174.09177	0.4
174.11470	0.4
175.08713	0.9
175.12228	0.6
185.08417	0.6
186.09164	4.8
187.08669	1.5
188.06995	0.6
188.09406	1.0
189.10374	0.6
190.05009	3.8
196.07504	0.9
198.09142	1.1
200.10715	1.4
201.10103	0.9
202.08707	0.4
202.10991	2.2
203.11807	7.0
204.06558	35.3
205.06883	1.1
210.09261	0.5
213.10280	1.7
214.08630	9.9
215.08133	4.6
216.08667	0.4
217.09749	1.0
227.08005	0.5
227.11848	1.4
228.10196	4.1
229.09781	1.8
229.13304	0.7
230.10486	1.5
231.11292	6.2
233.76222	0.4
241.09827	2.3
242.08095	2.4
244.12114	0.5
245.09166	0.7
245.12909	1.0
247.10803	1.6
255.11273	5.4
256.09689	2.8
257.09290	1.0
257.12881	1.2
258.10080	0.9
259.10779	83.5
260.11050	3.5
271.10861	0.6
272.36087	0.4
273.12305	6.5
279.11249	0.5
283.10812	3.8
284.08963	0.4
287.10202	0.5
297.12314	1.0
301.11810	68.2
302.12225	3.4
319.12875	100.0
320.13205	4.8
325.11740	5.1
335.12350	0.7
337.13922	38.8
338.14310	1.7
339.13391	0.5
343.12781	0.8
357.14474	8.7
359.15921	0.6
487.17090	2.6
504.17761	0.7
505.81668	0.5
519.19714	0.8
522.18866	0.7
657.25476	0.9
661.23999	0.5
675.26294	3.6
837.31403	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02953	3.2
65.03934	4.3
67.05508	100.0
69.03423	12.3
69.07072	36.3
71.04989	9.0
71.30131	5.0
79.05493	75.0
81.03412	22.2
81.07059	85.4
82.07421	3.1
83.04984	17.1
83.08627	14.7
85.02897	8.4
85.06558	8.7
86.09700	4.9
91.05481	65.6
92.05807	4.2
93.06472	4.3
93.07045	74.4
95.04977	20.3
95.08607	50.3
96.08932	4.3
97.02897	8.4
97.06524	29.0
97.10165	8.9
99.08088	5.2
105.07022	45.4
107.04958	8.0
107.08610	43.4
107.20648	2.7
109.06516	15.4
109.10151	35.6
111.04437	4.2
111.08083	8.1
115.07538	6.7
117.07006	18.1
119.08575	41.2
121.06478	7.2
121.10151	25.8
123.08066	13.1
123.11723	5.2
125.09628	8.0
129.07004	13.2
130.07788	4.6
131.08549	25.5
133.06471	4.5
133.10133	28.9
135.08063	9.9
135.11699	13.8
137.05969	8.4
137.09612	8.9
139.07553	10.1
141.06956	3.9
142.07832	3.0
143.08551	10.0
145.06499	5.4
145.10135	16.2
147.08020	10.8
147.11688	17.6
149.09647	5.1
149.13293	8.3
151.11104	4.2
153.09108	3.3
155.08604	6.9
157.10101	15.2
159.08037	9.8
159.11670	15.9
161.09633	6.8
161.13275	10.3
165.09103	3.3
166.79730	3.2
166.86572	3.7
169.10133	7.2
171.11694	5.4
173.09592	17.4
173.11850	3.0
173.13298	8.7
175.11166	5.2
175.14819	3.9
182.10608	3.2
183.11729	3.7
184.07344	12.6
185.09648	6.1
185.13246	6.6
191.07033	8.2
191.20596	3.0
193.12262	9.7
195.11670	5.3
197.09641	5.8
197.13193	3.7
199.11246	4.0
201.09163	4.5
207.11707	5.4
209.13437	3.9
211.11198	3.4
211.14893	3.4
213.12802	4.0
217.15872	5.1
221.13278	3.3
229.14371	6.1
233.09624	3.4
235.16881	3.4
245.15375	5.2
261.18652	4.6
261.22058	7.5
269.17563	3.8
271.17020	4.9
273.18436	5.6
288.03641	3.2
289.17926	14.9
295.16977	3.4
307.18997	6.9
335.25800	67.5
336.26294	3.7
363.21579	10.0
381.22937	12.2
399.23599	11.3
429.24213	4.6
445.23758	6.2
473.23315	15.2
491.24313	17.6
503.36703	3.9
515.36646	3.6
529.38464	4.9
569.80750	3.2
597.41797	3.4
623.42682	13.2
625.44897	4.6
641.43970	12.7
659.44336	7.2
812.39661	3.8
856.47833	4.4
857.48352	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33926	0.8
61.02926	3.9
65.03941	4.0
65.69813	0.7
67.05504	100.0
68.05839	1.9
69.03422	3.9
69.07067	18.6
69.38562	1.4
69.38963	3.8
71.01356	2.0
71.04987	6.0
73.02918	3.3
79.05494	45.5
81.03417	9.5
81.07054	62.9
82.07349	1.3
83.04992	7.2
83.08614	13.0
85.02901	12.9
85.06552	3.4
87.04475	4.8
91.03954	1.8
91.05481	25.5
93.07042	41.5
95.04970	5.8
95.08607	42.2
97.02887	4.4
97.06548	6.7
97.10174	16.5
98.22542	1.5
99.04462	1.4
99.08055	1.3
103.03956	1.1
103.05463	0.9
105.04526	1.4
105.07029	19.0
107.04983	2.2
107.08592	28.5
109.06538	3.2
109.10152	58.5
110.10507	1.5
111.04441	1.3
111.08067	4.1
111.11668	0.9
113.06033	1.0
117.07010	6.9
119.08576	17.1
121.10132	18.2
123.08079	2.4
123.11707	4.8
125.09627	17.3
129.05498	2.6
131.08568	9.8
133.10123	9.7
135.08043	2.2
135.11693	12.9
137.09637	3.3
137.13257	1.0
139.11169	1.2
142.49690	0.8
143.08577	1.1
143.10715	1.9
145.06451	1.0
145.10110	9.2
147.08086	0.8
147.11656	6.3
149.09642	1.0
149.13271	6.6
153.12733	3.2
155.08621	0.9
155.10632	4.2
157.10153	1.7
159.11685	4.7
161.13167	4.6
163.11192	8.5
163.14822	2.7
165.12740	1.3
171.11690	1.0
173.09610	1.5
173.11754	15.8
173.13266	5.1
175.14722	0.9
177.12831	0.8
181.12228	3.1
185.11740	0.9
187.14799	2.3
189.11240	1.3
191.10660	1.3
191.14279	0.9
192.60429	0.9
193.12184	2.3
199.13246	7.1
201.16394	1.0
206.96143	0.8
209.11739	5.9
211.13280	1.3
217.14410	1.4
227.12811	8.9
229.14337	41.5
230.14708	1.2
239.85078	0.9
241.14365	1.0
243.21083	3.6
247.20186	0.8
257.13834	1.7
259.20587	1.0
261.19415	0.8
261.22122	16.4
262.22336	1.2
267.15982	2.7
277.21570	1.0
283.15314	1.9
289.21542	1.1
301.16449	12.3
317.24774	2.0
327.23392	1.3
335.25797	76.3
336.26111	3.8
399.23792	13.1
400.23895	1.1
467.52856	0.9
477.35999	4.6
489.35721	15.5
490.35983	1.4
555.28479	0.8
561.37854	4.9
579.38727	2.4
659.45099	16.6
660.45270	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	2.7
65.03941	6.5
66.04722	1.5
67.05505	91.7
69.03425	11.3
69.07069	44.9
71.04987	9.5
71.08622	5.4
73.02914	3.0
79.05495	93.4
80.05833	2.7
81.03418	17.7
81.07056	100.0
82.10268	1.7
83.04977	17.7
83.08616	22.2
85.02905	9.8
85.06548	6.1
86.09690	5.2
87.04452	2.8
89.06014	4.5
91.05481	81.7
92.05820	2.2
93.07043	76.6
94.07381	2.2
95.04975	16.8
95.08607	56.4
97.02901	9.8
97.06532	18.1
97.10180	11.0
99.04487	3.5
99.08083	3.2
102.64523	1.6
103.05453	2.3
105.04514	4.0
105.07030	84.5
106.07365	2.4
107.04955	11.2
107.08598	54.4
108.08932	2.5
109.02869	4.7
109.06517	12.1
109.10153	28.9
111.04421	2.3
111.08102	8.1
113.09605	2.5
115.05463	5.7
117.07018	35.0
119.06042	1.7
119.08582	55.2
120.03348	1.7
120.08907	2.4
121.06499	9.2
121.10147	27.4
122.10476	1.8
123.08090	9.0
123.11692	8.2
125.00011	3.6
125.09644	10.0
127.03907	3.3
128.06195	4.9
129.05519	4.2
129.07005	23.0
130.07793	2.3
131.08568	41.6
133.06531	3.6
133.08591	3.4
133.10130	44.8
134.10423	2.6
135.08061	9.8
135.11700	23.2
137.09625	5.4
141.06960	4.3
142.07770	2.8
143.08568	16.8
145.06523	3.3
145.10114	35.3
147.08041	5.8
147.11697	31.8
149.09608	17.9
149.13237	15.6
151.11157	5.3
153.09106	2.5
155.08557	8.8
157.10127	18.2
159.08026	3.8
159.11697	28.8
161.09637	3.5
161.13225	16.0
163.11212	11.0
163.14836	2.0
165.09096	2.4
165.12627	2.4
167.08572	4.9
169.10110	10.2
171.11682	15.8
173.09624	2.7
173.11810	3.5
173.13255	10.0
175.11200	5.7
175.14828	4.9
177.11290	2.4
177.12764	6.1
179.08646	2.0
179.14317	4.0
181.10091	3.1
183.11722	11.4
184.07346	12.8
185.13319	11.3
187.11258	2.2
187.14870	5.4
189.11186	6.2
189.12784	4.0
193.12260	1.9
195.11707	5.8
195.13785	4.5
197.13254	9.6
199.14783	5.7
201.12732	3.9
207.11806	2.2
209.13229	3.3
211.14838	3.9
213.16513	2.3
215.17973	2.0
217.15933	2.5
219.67705	1.8
221.13260	2.3
223.14883	2.6
225.16338	2.4
227.12755	8.5
229.14227	3.9
229.19583	3.3
237.16289	2.4
239.17946	4.2
241.19464	6.6
247.20522	4.1
255.15924	6.7
257.19028	8.9
259.20578	20.6
267.15945	3.1
269.17407	18.4
273.18405	2.8
275.20074	30.7
276.20459	3.3
291.19519	8.7
292.19702	1.7
293.21118	4.0
301.21576	2.2
315.23410	2.6
329.21210	2.2
333.24243	17.2
335.25961	3.3
339.26688	2.2
349.23749	18.9
351.25192	2.9
365.23300	3.0
365.56088	1.9
367.24741	2.1
449.29169	2.8
463.30469	4.1
494.21722	2.3
513.35840	14.8
515.37701	2.2
527.37482	12.1
528.37347	2.2
543.36700	6.3
559.36493	2.3
607.43481	15.1
608.43945	2.2
625.44836	9.5
641.43243	3.6
857.46204	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	3.9
65.03944	5.3
66.39896	1.9
67.05505	92.0
69.03431	12.8
69.07069	45.2
69.19264	4.3
69.19684	14.8
71.04998	7.6
73.02904	2.3
79.05492	73.5
81.03419	21.1
81.06580	5.1
81.07056	100.0
82.07400	2.7
83.04995	18.3
83.08626	19.3
85.02912	7.6
85.06551	6.1
87.08588	2.1
91.05476	68.7
92.05762	2.6
93.07045	88.8
95.04964	17.2
95.08610	44.1
97.02899	5.8
97.06528	23.4
97.10180	7.5
99.08123	5.3
105.07027	58.5
107.04305	2.2
107.04948	13.4
107.08596	44.2
107.09303	4.0
108.28606	2.3
109.06503	10.4
109.10161	18.3
111.08119	4.8
115.05457	3.5
117.07019	28.0
119.08576	41.6
121.06515	10.6
121.10143	21.5
123.08091	3.1
123.11716	9.6
125.09633	7.6
127.03942	4.3
129.05457	2.5
129.07005	10.6
131.08571	30.0
133.06497	3.0
133.10126	37.1
134.10538	2.1
135.08060	6.4
135.11693	22.8
137.09628	6.4
138.86511	2.4
141.07011	3.1
143.08575	12.2
145.06596	2.5
145.10103	30.5
147.08073	4.2
147.11697	16.7
149.09618	21.5
149.13245	17.5
151.11203	4.3
155.08588	4.7
157.10123	11.5
159.11696	25.9
161.13263	5.4
163.11191	12.6
165.12766	2.9
169.10204	6.6
171.11688	7.6
173.04536	3.2
173.13272	11.9
175.11223	3.5
175.14868	2.6
177.12788	7.1
179.14330	6.2
183.11685	4.5
185.13277	7.7
187.11134	2.4
189.11238	3.1
189.12752	3.1
195.11766	3.6
195.13861	10.7
197.13232	4.4
207.13815	3.0
227.12810	5.8
229.19562	4.1
239.17921	5.9
247.20616	2.9
251.16479	2.9
255.15886	14.6
257.18967	15.0
267.15894	6.2
269.17468	45.6
273.18600	2.9
275.20078	57.6
276.20511	4.3
293.20932	3.5
331.22787	4.2
349.23740	46.9
350.24100	4.2
365.22971	2.5
367.24716	8.9
425.90747	2.2
431.27731	3.1
435.27426	4.4
449.28955	21.1
450.29428	2.3
451.32086	2.4
463.30573	29.8
464.31079	5.2
525.35718	3.2
529.35071	7.8
543.36804	32.6
561.37787	6.0
623.42798	8.0
641.43707	5.5
857.46460	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	2.4
65.03935	4.8
67.05505	76.5
68.05845	2.6
69.03433	11.1
69.07068	39.3
70.49860	4.1
71.04993	7.2
73.02917	2.7
77.03923	1.8
79.05493	73.2
80.05807	1.9
81.03419	16.4
81.07057	100.0
82.07407	1.5
83.04977	15.8
83.08617	21.2
85.02905	5.7
85.06546	6.7
86.09715	1.4
91.05482	61.6
93.07040	73.5
94.07384	2.8
95.04968	12.8
95.08607	41.2
96.90397	1.3
96.96272	1.3
97.02895	7.6
97.06532	20.7
97.10173	10.1
99.04440	1.5
99.08099	5.4
103.05468	2.3
105.04530	1.5
105.07030	55.2
107.04959	11.5
107.08595	44.9
109.02893	2.3
109.06519	10.8
109.10154	16.9
110.82499	1.3
111.04418	2.3
111.08058	6.5
113.09665	2.0
115.05441	3.1
117.07024	23.4
119.08569	34.8
121.06509	7.6
121.10150	24.4
123.08082	7.4
123.11703	6.1
125.09633	8.3
127.03917	4.4
128.06215	2.7
129.05496	2.7
129.07013	9.9
130.07755	1.4
131.08569	28.2
131.09500	2.6
133.06491	3.1
133.10129	30.6
134.10490	1.7
135.08076	7.0
135.11691	25.0
137.05934	1.7
137.09586	3.6
137.13243	1.6
139.11221	1.4
141.06990	3.7
142.07751	1.8
143.08569	7.4
145.06525	1.8
145.10133	24.1
147.08061	4.7
147.11687	14.8
149.09627	18.9
149.13257	16.1
149.19746	1.4
151.11186	4.7
153.06995	1.6
155.08577	4.2
157.10143	7.9
159.08032	2.0
159.11679	20.5
161.09596	2.4
161.13264	4.7
163.11191	14.5
163.14703	1.3
165.12785	3.5
168.09247	1.5
169.10202	7.2
171.10400	1.4
171.11649	7.5
173.04471	2.5
173.09612	2.3
173.13226	8.1
175.11195	2.1
177.12741	7.4
179.14334	3.8
181.10081	2.3
181.12318	1.9
183.11687	5.4
184.07324	3.7
185.13258	4.1
187.11127	3.2
187.14787	2.8
189.11240	4.4
189.12761	2.1
189.16333	1.8
193.10080	1.7
193.12247	1.3
195.11845	3.2
195.13826	10.9
197.13251	3.8
199.13251	1.4
201.12740	2.2
209.13234	2.1
211.14877	1.9
213.14700	1.6
213.16479	1.8
219.13898	2.1
223.14827	1.4
227.12741	7.7
229.19461	3.2
233.15419	1.5
235.16808	1.5
239.18019	4.1
241.15973	1.4
245.13719	1.7
247.20572	2.0
251.16307	3.1
253.14220	2.3
255.15886	20.8
257.18954	11.4
267.15903	4.2
269.17471	47.1
270.17676	1.8
275.17075	2.9
275.20056	50.0
276.20245	3.2
283.20700	1.7
291.19485	1.8
293.17801	1.6
293.21106	6.4
303.16019	1.8
321.53815	1.4
331.22711	2.7
349.23709	40.5
350.24039	3.2
365.23114	1.7
367.24719	6.5
413.21710	1.7
431.28204	1.7
433.30579	1.8
435.27451	3.6
439.26822	1.7
445.29568	3.2
449.28961	26.7
450.29596	3.0
451.32297	2.5
463.30551	34.7
464.31027	2.6
503.33319	1.6
525.35364	3.7
529.35205	8.7
543.36768	30.2
544.37604	2.8
561.37665	6.8
607.34601	2.0
623.42883	5.0
641.43640	4.1
642.43597	2.0
687.40833	1.5
840.86371	1.6
856.44806	3.2
857.46063	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	4.0
65.03941	4.0
67.05505	76.9
69.03431	7.6
69.07057	28.0
69.25651	24.8
71.04984	8.2
71.83883	3.1
79.05492	83.0
80.05865	3.6
81.03429	7.6
81.07058	76.7
83.04982	8.7
83.08617	19.6
85.02911	5.8
85.06549	8.2
86.09740	7.0
91.03979	3.4
91.05480	100.0
93.07043	81.4
95.04983	14.1
95.08607	56.4
96.97543	3.2
97.02895	6.4
97.06532	13.2
97.10152	9.2
99.08101	10.9
103.05487	4.9
105.07029	86.7
107.04965	12.6
107.08591	47.0
109.06509	16.3
109.10152	18.3
111.08115	10.8
115.05479	7.2
117.07024	46.9
119.08573	63.6
121.06522	5.8
121.10134	26.1
123.08101	5.8
123.11704	3.2
125.09618	7.4
127.03901	4.9
127.07539	3.2
128.06242	14.3
129.06993	33.9
130.07764	4.2
131.08562	54.1
131.09480	3.8
133.06535	4.5
133.10138	41.6
135.08104	11.5
135.11725	11.3
137.09552	5.7
141.06979	19.7
142.07773	7.6
143.08545	39.2
144.09241	3.2
145.10129	49.9
147.07999	4.4
147.11655	23.5
149.09633	17.1
149.13229	4.5
155.08548	19.5
156.09332	4.5
157.10132	34.4
159.08075	5.6
159.11700	35.2
161.09641	6.7
161.13249	8.7
163.11185	11.0
167.08597	8.1
168.09354	5.1
169.10114	22.9
171.11749	21.7
173.09633	6.5
173.13278	21.1
175.11179	5.9
175.14819	7.0
177.12770	5.4
179.08604	6.7
181.10101	9.2
183.11661	21.6
184.07343	15.5
185.13234	34.7
187.14844	6.3
187.78757	3.2
190.51143	3.7
193.10104	5.7
195.11729	11.0
197.13287	11.4
199.14856	7.7
203.14342	10.4
207.11752	5.1
209.13324	7.9
210.13998	3.7
211.14873	10.0
217.15692	3.4
219.11659	3.9
219.17509	5.5
221.13313	9.3
223.14821	4.3
225.16498	5.1
229.19583	4.9
235.14914	5.8
237.16502	6.8
239.17949	13.4
241.19659	5.2
249.16518	4.7
255.17690	4.0
257.18997	32.1
273.18521	7.5
275.20108	32.0
326.77310	3.8
331.22766	7.8
349.23770	33.7
351.25009	5.4
427.23602	4.0
459.32501	4.3
463.32361	4.6
497.33121	4.2
527.36237	4.0
529.34961	4.9
543.36548	7.1
551.37390	7.9
553.38696	3.7
565.38538	4.3
569.37781	8.0
605.42084	6.6
623.43176	26.9
624.43835	4.7
641.43298	6.0
857.45764	10.2
870.84229	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5776
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	1.8
65.03930	5.0
67.05505	100.0
68.05840	1.8
69.03424	8.2
69.07069	29.8
71.04999	10.0
79.05492	65.3
81.03425	12.0
81.07056	92.5
82.07375	1.6
83.04997	9.7
83.08627	14.8
85.02908	6.2
85.06537	5.0
91.05477	52.8
93.07043	72.8
95.04957	9.4
95.08607	55.6
97.02874	3.4
97.06533	11.8
97.10152	6.3
98.23456	4.0
99.04457	2.6
99.08045	2.1
105.04436	2.5
105.06374	2.5
105.07030	31.3
107.04935	5.7
107.07863	2.3
107.08594	46.9
109.02889	2.1
109.06519	6.8
109.10154	38.5
111.04488	2.4
111.08068	6.2
113.09646	1.7
117.07018	18.6
119.08585	26.0
121.06481	3.9
121.10146	30.4
123.08075	4.1
123.11694	6.5
125.09653	4.6
127.03928	2.9
129.05464	2.9
129.06963	6.8
131.04916	2.0
131.08566	25.5
133.10133	22.5
135.08015	3.9
135.11705	15.5
141.06975	2.0
143.08568	6.1
145.06468	1.8
145.10136	17.1
147.08000	2.5
147.11682	12.0
149.09602	7.9
149.13255	11.8
151.11134	2.2
155.08554	3.0
155.10664	1.9
157.10135	6.5
159.11703	15.1
161.13271	7.1
163.11186	2.4
169.10049	3.8
171.11749	5.3
173.11760	4.9
173.13284	8.5
175.11130	2.4
175.14836	2.2
177.12709	2.9
183.11754	2.3
184.07372	3.2
185.13281	4.1
187.14746	3.5
193.89432	2.1
195.13837	3.6
199.14812	2.5
211.14873	2.0
213.16510	2.3
217.15926	2.3
227.12747	2.7
228.99899	2.3
229.14305	18.4
243.21072	3.3
257.19073	4.2
261.22168	8.3
262.65012	1.8
269.17484	10.9
275.20102	16.1
293.21075	3.2
301.21771	2.3
317.24472	2.0
331.22601	3.0
335.25821	73.4
336.26093	3.3
339.18042	4.3
339.78555	1.6
349.23746	16.5
359.21613	1.7
381.26459	2.6
413.21600	7.8
437.34009	2.3
489.35678	13.2
490.35962	1.9
529.38879	81.1
530.38977	6.9
569.42023	20.4
570.42535	1.9
609.45068	23.9
610.44769	3.1
627.46503	2.9
641.47992	10.6
655.18958	2.0
673.42853	6.2
681.94531	1.9
772.67645	1.9
857.49542	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4649
Annotation	Aurantimycin A
Peak:m/z	Relative Intensity
61.02946	3.2
63.78214	0.8
65.03935	0.9
67.05504	9.9
69.03430	4.3
69.07079	6.5
71.05023	0.8
71.31217	1.2
73.02917	3.0
75.57459	0.8
79.05492	8.9
81.03423	1.9
81.07052	9.8
82.07388	1.1
83.04977	2.0
83.08637	2.8
85.02921	3.6
85.06590	1.3
86.09720	2.9
91.03951	0.9
91.05489	6.0
93.07043	8.3
95.04980	3.2
95.08612	5.4
95.30394	0.8
95.77737	0.9
97.02907	3.7
97.06547	1.4
97.10191	1.7
101.02405	1.9
105.07040	6.1
106.07352	0.8
107.04966	1.5
107.07977	0.9
107.08590	4.9
109.06544	1.7
109.10178	3.5
117.07044	1.8
119.08598	3.4
121.10144	1.7
125.00037	1.2
125.09681	1.7
127.03965	1.6
129.07025	1.7
131.08588	2.6
133.06485	0.9
133.10172	3.8
134.10498	0.9
135.08128	1.1
135.11716	1.7
138.09976	1.1
145.10101	1.3
147.08151	1.1
147.11736	1.8
149.09618	1.0
151.11279	1.8
159.11708	1.3
162.54565	0.9
163.11264	1.1
171.11787	0.9
171.72527	0.8
184.07356	9.9
185.04256	0.8
186.21123	0.8
243.08476	3.6
253.14511	1.1
269.17511	0.9
279.95285	0.9
291.19540	1.9
292.19443	1.0
293.21289	1.4
301.09180	1.2
331.18997	1.9
335.26041	1.9
335.39749	0.8
356.63245	0.9
529.38959	1.0
531.25885	1.5
549.26721	18.3
574.20337	0.9
621.29279	1.2
759.39020	3.0
771.38409	1.1
839.45569	11.8
840.46014	1.7
857.46472	100.0
858.46930	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.5569
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	2.2
65.03943	4.5
67.05507	100.0
69.03441	3.8
69.07070	14.8
71.01366	2.3
71.04992	6.3
73.02917	2.9
76.13465	1.5
79.05495	42.4
80.05851	2.0
81.03413	7.4
81.07059	58.0
83.01319	2.9
83.04981	8.7
83.08628	15.0
85.02908	13.7
85.06562	2.1
87.04472	3.7
91.03962	1.6
91.05484	25.0
93.07054	43.3
95.04978	4.5
95.08613	43.3
97.02901	3.9
97.06521	5.0
97.10165	16.9
98.22649	7.2
98.23373	5.4
99.04414	2.5
99.08093	2.4
105.07039	14.5
107.04974	3.6
107.08595	31.6
109.06546	4.8
109.10160	62.7
110.10503	3.6
111.08080	4.6
117.07026	8.2
119.08591	16.3
121.10152	14.9
123.08083	3.8
123.11711	4.3
124.10841	1.8
125.09644	16.1
126.44021	1.8
131.08557	12.6
133.10143	8.7
135.11700	13.3
137.09608	3.7
145.10118	7.8
147.11722	5.4
149.09689	2.9
149.13278	5.9
153.12759	3.4
155.10658	2.7
159.11665	4.1
161.13281	3.9
163.11227	9.3
163.14819	2.1
168.24071	1.5
173.11757	17.9
173.13280	4.7
175.14844	2.1
181.12230	2.8
184.07268	2.4
187.14879	2.2
199.13332	5.0
209.11777	7.4
217.14479	1.8
227.12810	6.7
229.14360	47.8
230.14680	2.2
243.21040	4.3
261.22232	11.8
267.15924	2.4
301.16544	13.3
317.24731	2.5
335.25806	67.4
336.26172	5.6
337.27390	4.9
401.25397	8.7
477.35602	6.1
489.35980	15.5
561.37708	4.7
661.46667	11.2
770.55408	2.1
859.49951	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	6.7
65.03957	0.2
67.05511	1.9
67.21550	0.2
69.03428	4.2
69.07075	0.3
71.01357	0.8
71.05006	0.6
71.30810	0.2
73.02917	4.3
77.03953	0.2
79.05488	2.4
80.05860	0.2
81.03423	6.2
81.07061	2.3
82.03780	0.2
83.04975	1.2
83.08621	1.2
85.02908	10.1
85.06571	0.3
87.04482	0.6
91.03958	4.5
91.05482	3.7
93.07040	2.1
95.04964	2.0
95.08616	0.9
97.02893	7.0
97.03508	0.4
97.06557	0.3
99.04473	0.9
101.02376	1.9
101.02935	0.2
103.03961	0.5
105.07024	2.4
107.04983	0.9
107.08634	0.7
109.02908	0.8
109.06506	0.5
109.10204	0.3
111.04436	0.4
111.08092	0.5
115.03977	0.6
119.08566	1.7
121.10173	0.9
123.08116	0.4
123.66515	0.2
127.03913	2.1
129.05516	0.4
129.07030	1.0
129.38972	0.2
131.08563	1.6
133.10103	1.6
136.06248	0.3
145.04974	0.7
145.10150	0.3
147.08060	0.4
147.11696	1.6
149.09636	0.8
157.10152	1.5
162.07756	0.2
175.11215	1.2
185.04312	0.7
193.12259	2.2
203.05347	0.9
203.86713	0.2
211.13272	1.4
243.08414	2.5
251.12682	1.7
267.16129	0.2
269.12436	0.7
285.16968	0.5
307.15100	1.0
347.09464	2.0
363.09070	0.4
365.10757	0.9
405.13623	5.5
405.18771	0.4
406.14102	0.3
469.20438	14.1
470.20514	1.0
631.25665	11.0
632.26080	1.2
681.66443	0.2
697.33966	1.7
698.34558	0.3
859.39264	100.0
860.39600	15.4
860.56580	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.481
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
60.08165	0.6
61.02929	4.9
65.03969	0.6
67.05505	6.1
69.03414	3.5
69.07061	2.7
71.04995	0.9
73.02934	3.9
76.99509	0.7
79.05495	5.5
81.03433	2.4
81.07053	7.2
83.05006	1.7
83.08621	1.2
85.02904	4.2
86.09737	0.8
91.03944	2.6
91.05483	4.0
92.05820	0.8
93.07048	4.3
95.04982	1.9
95.08598	3.7
97.02885	3.7
97.06567	1.2
99.04458	0.5
101.02411	2.3
104.79243	0.5
105.07027	3.3
107.04980	0.6
107.08628	1.7
109.02887	0.8
109.06557	1.4
109.10171	2.0
111.08089	0.7
117.07072	0.7
119.08625	2.1
121.10090	0.7
123.08099	0.7
125.00063	1.1
127.03959	1.4
129.05548	0.7
131.08600	1.6
133.10147	3.3
145.10158	1.3
147.11685	1.1
149.09644	0.8
151.11234	0.6
163.11174	0.7
184.07353	4.0
185.04355	1.0
203.05409	0.7
241.42400	0.6
243.08408	3.6
286.49448	0.5
301.08905	0.6
315.10684	0.8
331.18692	2.4
333.20435	2.1
359.22437	0.6
387.21677	0.7
440.63922	0.6
451.19479	1.4
453.21298	1.1
469.21121	0.9
531.25836	1.4
533.27887	0.6
549.26691	6.3
551.28271	11.7
552.28888	0.8
623.29993	0.7
705.38116	0.6
761.40430	3.7
773.40735	1.9
784.92200	0.6
841.47137	12.9
842.46649	1.5
859.48041	100.0
860.48407	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4809
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
60.48764	0.4
61.02930	2.8
67.05503	5.3
69.03432	3.8
69.07064	4.2
71.01343	0.8
71.04995	0.5
71.30294	0.6
72.27361	0.4
73.02919	2.8
79.05491	6.1
81.03421	2.0
81.07058	4.7
83.04989	1.4
83.08636	1.1
85.02912	3.6
86.09714	1.5
88.36765	0.3
91.03960	1.4
91.05478	4.1
93.07034	3.5
95.04989	0.9
95.08607	2.6
97.02897	3.8
97.06564	1.3
97.10180	1.7
99.04472	0.9
101.02385	1.6
105.07035	3.0
107.04979	0.7
107.08588	2.5
109.02884	0.7
109.06577	0.7
109.10176	1.3
111.08139	0.6
117.07070	1.1
119.08583	2.2
121.10134	1.1
125.00023	0.6
125.09674	1.5
127.03954	1.2
129.07111	0.5
131.08618	1.3
133.10202	1.1
135.11737	1.2
137.09615	0.4
145.05019	0.4
145.10181	1.1
147.08134	0.5
147.11691	0.6
149.13258	0.4
157.10172	0.5
159.11708	0.6
177.43318	0.4
184.07335	4.1
185.04259	0.5
203.05348	0.9
223.13400	1.5
243.08353	4.1
269.17618	0.5
273.18152	0.4
291.19659	1.4
301.09155	0.4
313.09036	0.5
315.10632	0.5
331.18820	0.9
333.20456	1.2
387.21964	0.5
389.23291	0.6
439.19687	1.0
453.21158	0.9
549.26801	7.0
551.28259	5.5
859.48108	100.0
860.48370	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08149	0.5
61.02920	3.3
65.03954	0.5
67.05503	5.7
69.03437	2.6
69.07075	3.3
71.04988	0.5
71.07377	0.5
73.02906	3.3
78.32832	0.3
79.05492	4.4
81.03420	2.1
81.07055	5.8
82.00892	0.3
83.04999	1.2
83.08638	0.8
85.02895	3.9
86.09698	2.2
91.03970	1.4
91.05482	3.8
93.07042	3.2
95.04980	1.4
95.08622	2.8
97.02882	3.6
97.06548	1.0
97.10172	0.9
98.23400	1.1
98.96323	0.4
99.04499	0.8
101.02403	1.2
104.10714	0.5
105.07016	2.3
107.04937	0.7
107.08587	2.7
109.06548	0.6
109.10177	1.3
114.61947	0.4
115.04018	0.5
115.05480	0.4
117.07084	1.0
119.08614	1.7
121.06534	0.4
121.10157	1.2
125.00026	1.5
125.09628	0.6
127.03932	0.6
129.06943	0.4
131.08614	1.1
133.10144	1.4
135.08162	0.6
135.11754	0.9
144.42513	0.4
145.10152	1.0
147.11703	0.8
151.11220	0.4
159.11736	0.5
184.07339	8.4
185.07800	0.5
195.11842	0.4
203.05330	0.5
223.13390	1.1
243.08379	3.3
247.62987	0.4
267.36368	0.4
291.19443	0.6
301.09286	0.5
331.18875	1.4
332.57938	0.4
333.20599	0.8
345.38242	0.4
387.21500	0.5
389.23297	0.6
413.14078	0.4
439.19522	0.9
453.21027	1.3
464.74756	0.4
501.35672	0.6
525.17413	0.4
549.26599	5.2
551.28375	5.5
552.29065	0.7
761.40796	0.6
859.48041	100.0
860.48376	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.6757
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03785	0.4
63.43917	0.4
63.96722	0.3
65.03934	2.4
67.05482	1.1
69.07056	0.6
70.43264	0.3
71.08620	1.3
81.07054	1.5
83.08616	0.9
85.10155	0.5
90.81332	0.3
91.05476	100.0
92.05819	2.3
93.07034	0.5
95.08573	1.7
97.10169	0.6
109.10130	0.9
121.10132	0.4
122.84386	0.3
160.11209	0.4
183.91724	0.3
203.05394	0.4
236.27632	0.3
258.09003	0.5
267.26855	0.5
354.50250	0.6
374.34155	56.7
375.34378	4.2
414.42789	0.4
515.34808	0.3
607.04474	0.3
753.17957	0.4
767.09943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08163	1.6
61.02922	1.7
67.05500	2.8
69.03419	2.0
69.13498	6.8
69.13908	1.9
73.02922	1.3
79.05501	3.1
80.51009	0.9
81.03403	1.1
81.07050	2.8
83.05010	1.0
85.02912	2.2
86.09702	3.0
91.03946	1.2
91.05470	1.6
93.07067	2.1
95.08592	2.6
97.02887	2.4
105.07017	1.5
107.08591	1.6
119.08553	1.6
122.63404	0.9
125.00021	2.0
131.08549	0.9
133.02618	21.0
135.68776	0.9
145.10112	1.5
155.60135	0.9
159.04184	7.1
159.48236	0.9
184.07359	10.8
185.07794	0.9
186.06482	1.0
196.60768	0.9
197.58572	1.1
212.11710	2.2
243.08464	1.0
244.10657	2.1
267.13535	8.5
301.09070	1.3
307.12848	2.1
319.64685	0.9
322.15363	5.0
323.16199	4.8
335.16220	2.1
336.16531	1.1
351.15491	1.3
353.17307	1.2
365.17102	8.6
366.17960	1.4
399.22751	1.3
411.23102	8.2
425.24576	1.8
427.26065	4.0
429.23761	3.9
441.23544	2.4
443.25565	3.7
444.26236	2.0
455.21805	1.3
459.24890	3.3
469.23325	3.1
471.25098	20.7
472.25241	2.5
473.23077	2.0
487.24545	11.3
488.24982	2.1
504.24713	1.6
513.22699	1.3
515.23822	1.5
519.29034	3.2
531.23499	3.6
532.24146	1.7
691.40009	1.1
717.40906	3.4
755.43164	5.3
756.42401	1.1
759.42145	3.2
771.42328	2.1
773.43402	3.2
799.41766	4.9
800.40997	1.9
817.42755	19.6
818.42883	3.5
843.39380	4.8
860.52753	1.2
861.40326	100.0
862.40961	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08180	1.0
61.02914	5.6
67.05505	8.4
69.03429	2.9
69.07060	1.3
69.99918	1.1
71.01343	1.6
71.08646	1.6
71.30198	1.3
73.02917	4.8
79.05482	4.3
81.03416	2.9
81.07057	6.5
85.02921	6.1
89.06017	1.2
91.03963	5.0
91.05495	3.3
93.07044	3.7
95.08620	3.4
97.02917	6.8
99.04461	1.3
101.02397	3.0
101.62825	1.2
107.08606	2.4
109.02869	1.6
109.10147	6.0
119.08587	2.5
121.10145	2.1
127.03873	2.7
131.08598	2.4
133.08615	1.6
135.11655	1.3
150.38760	1.2
173.11673	1.5
184.07353	1.6
229.14389	2.0
243.08429	2.3
301.08966	3.2
385.18295	1.9
413.17877	7.5
453.68732	1.5
469.20865	1.5
519.29358	10.0
578.31146	2.4
591.31268	3.4
662.40820	1.9
691.40240	100.0
692.40601	12.4
717.41736	1.4
719.43585	1.8
747.41754	3.1
793.43127	1.4
861.48724	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08173	0.7
61.02930	4.0
67.05511	3.8
69.03434	2.8
69.07074	1.6
71.01381	0.5
71.05001	1.3
71.30779	0.8
72.95338	0.3
73.02923	3.0
79.05492	5.9
81.03428	1.2
81.07058	3.8
83.05011	0.6
83.08603	0.5
85.02922	3.0
85.06573	0.4
86.09702	1.8
91.03954	2.1
91.05473	5.5
93.07044	4.7
95.04964	0.9
95.08605	2.6
97.02897	3.0
99.04469	0.5
101.02411	1.3
103.03977	0.4
105.07028	5.3
105.07677	0.5
107.08572	2.5
109.06534	0.5
109.10143	0.5
117.05537	0.4
117.07013	2.1
119.08597	2.7
121.10159	1.3
123.08154	0.4
124.58854	0.3
125.00004	1.4
127.03947	0.8
128.06248	0.6
129.07047	1.1
131.08606	1.4
133.10136	2.0
135.08028	0.4
135.11678	0.4
143.08618	0.9
145.10176	1.3
147.11732	1.0
149.09618	0.5
157.10141	0.5
159.11736	0.8
161.13255	0.8
171.11736	0.4
184.07323	6.3
184.08635	0.5
185.04309	0.6
185.07770	0.5
243.08366	2.6
247.13205	0.5
250.65283	0.4
272.66434	0.4
273.59750	0.3
315.19400	0.5
318.83127	0.4
333.20346	4.1
375.01230	0.4
389.23148	1.0
463.23199	0.8
465.20911	5.7
466.21753	0.7
501.45963	0.4
533.27869	0.4
551.28162	10.0
552.28247	0.8
689.34155	0.4
775.42596	2.5
861.49603	100.0
862.49951	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08158	0.7
61.02927	3.7
65.03929	0.5
67.05503	5.0
69.03423	2.3
69.07062	2.7
71.05003	0.7
71.07370	0.7
71.31645	0.3
73.02908	3.3
79.05491	4.4
79.10144	0.3
81.03419	1.9
81.07047	5.1
83.04994	0.9
83.08613	0.8
83.81617	0.3
83.84650	0.3
85.02897	3.9
85.06540	0.5
86.09707	4.2
87.04475	0.5
91.03947	2.1
91.05469	3.7
92.50858	0.3
93.07021	2.9
95.04944	1.6
95.08603	2.8
97.02895	2.7
97.06551	0.5
97.10184	0.7
98.98454	0.4
99.04446	0.6
101.02375	1.6
104.10779	0.4
105.07016	2.9
107.04945	0.5
107.08599	2.0
109.02901	0.8
109.06541	0.5
109.10185	0.9
115.03970	0.4
117.07041	0.9
119.08600	1.8
121.10195	0.5
123.08070	0.4
125.00006	2.7
125.09627	0.4
127.03945	1.0
129.07060	0.5
131.08589	1.0
133.08015	0.3
133.10181	1.2
135.11748	0.9
136.06218	0.8
137.09642	0.4
138.65021	0.3
145.10201	0.7
147.11679	0.8
149.13251	0.4
157.10147	0.3
159.11772	0.5
172.00873	0.3
175.68829	0.3
184.07330	11.6
185.04240	0.9
185.07713	1.2
189.42256	0.3
203.05331	0.4
243.08392	3.1
301.08994	0.7
313.09186	0.3
333.20306	3.2
354.91415	0.3
389.22873	0.7
439.19659	1.3
453.21136	0.7
551.28253	11.2
552.28760	0.8
567.27563	0.3
623.30225	0.5
699.44653	0.3
763.42023	0.5
775.42188	0.4
861.49561	100.0
862.49969	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08170	0.3
61.02926	3.4
67.05504	3.9
67.05834	0.4
69.03434	2.0
69.07066	2.1
69.35896	1.1
69.36304	0.7
71.05008	0.5
73.02914	2.4
79.05500	4.0
81.03414	1.8
81.07056	4.2
83.04990	1.2
83.08629	0.9
85.02904	2.6
86.09714	1.8
91.03497	0.3
91.03947	1.8
91.05476	2.8
93.07047	3.3
93.07553	0.3
95.04978	1.0
95.08614	2.2
96.42273	0.3
97.02887	2.7
97.06531	0.7
97.10158	0.3
99.04487	0.6
101.02419	0.8
105.07024	2.1
107.08601	2.1
109.02899	0.7
109.06543	0.6
109.10181	0.8
110.92949	0.3
115.03962	0.4
117.07027	1.0
119.08583	1.5
121.06530	0.4
121.10172	1.0
123.08073	0.4
123.11674	0.4
125.00063	1.1
127.03951	1.0
129.06995	0.4
131.08598	0.7
133.10161	1.6
135.11758	0.9
136.06190	0.4
137.09604	0.3
145.10168	0.7
147.11710	0.7
149.13347	0.3
159.11745	0.6
184.07352	5.5
184.08922	0.4
185.04356	0.6
185.07690	0.3
187.28529	0.4
203.05347	0.7
243.08376	3.4
333.20395	2.1
389.23019	1.0
439.19397	2.0
453.20923	1.3
469.20517	0.6
551.28247	11.1
552.28558	1.5
654.01831	0.3
749.41235	0.3
763.42029	0.5
793.92487	0.3
849.35846	0.3
861.49628	100.0
862.49945	18.7
872.25641	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08157	0.6
61.02922	3.5
65.03970	0.5
67.05508	4.6
69.03423	2.5
69.07078	1.9
69.33837	1.6
69.34241	0.8
71.01337	0.4
71.04990	0.5
73.02919	2.4
79.05489	3.2
81.03438	1.6
81.07055	6.0
81.07512	0.4
83.05001	0.6
83.08641	0.6
85.02905	3.7
86.09717	2.3
91.03947	1.9
91.05466	3.4
93.07045	3.6
94.75877	0.4
95.04978	1.0
95.08621	2.3
97.02901	3.1
97.06548	0.6
97.30238	0.3
98.23293	0.8
99.04447	0.6
101.02422	1.2
105.07038	2.4
107.04952	0.5
107.08591	2.6
109.06530	0.6
109.10175	0.9
111.08167	0.5
117.07058	1.1
119.08607	1.3
121.10185	1.0
125.00017	1.7
127.03949	1.0
128.75098	0.4
129.07007	0.5
131.08632	1.1
133.10136	0.9
135.11771	1.1
143.92145	0.4
145.10158	0.6
159.11739	0.5
184.07355	6.1
184.08891	0.4
185.04276	0.8
208.50580	0.4
221.00749	0.4
243.08441	2.3
272.77060	0.4
290.28195	0.4
333.20459	1.6
389.23093	1.0
439.19592	1.5
453.20993	1.8
469.20236	0.6
483.86688	0.4
551.28259	10.9
552.28687	0.9
623.31769	0.4
763.42694	0.7
861.49622	100.0
862.49915	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08157	0.8
61.02925	7.0
67.05507	8.4
69.03419	4.7
69.07075	3.4
71.05000	0.9
71.30070	0.9
73.02916	5.7
78.14095	0.8
79.05494	8.2
81.03401	4.0
81.07060	7.7
83.04981	1.7
83.08614	1.3
85.02903	8.0
86.09721	3.5
91.03950	5.4
91.05486	7.8
93.07044	7.3
95.04993	2.4
95.08628	3.1
97.02909	6.0
97.06546	1.3
99.04420	0.8
101.02351	3.4
105.07042	4.9
107.08612	4.6
109.02913	1.7
109.06549	1.2
109.10165	1.3
117.07030	1.8
119.08557	4.1
121.06522	0.9
121.10196	1.7
123.08116	1.1
124.65985	0.7
125.00025	2.2
127.03956	2.5
129.05524	1.1
129.07036	1.2
131.08623	3.0
133.10172	2.9
135.11736	1.6
145.10155	2.5
147.11719	2.7
149.09686	1.2
159.11734	1.1
161.09549	0.7
161.13220	0.9
169.61702	0.8
171.11729	1.6
184.07338	7.1
185.04340	2.4
226.52272	0.7
243.08394	6.0
299.87241	0.7
301.08963	5.1
315.10516	2.0
317.20959	1.1
333.20319	3.5
369.15527	1.2
371.17023	0.9
373.11206	2.1
385.18179	3.8
388.88675	0.7
389.23090	1.0
391.73169	0.7
429.17358	0.9
439.19424	1.8
453.21548	1.7
457.20197	0.9
465.21097	8.4
481.20041	1.1
514.46674	0.8
525.23145	7.8
533.27246	1.1
535.28650	5.0
551.28217	13.8
552.28607	1.2
553.29443	1.2
594.30225	1.4
606.89130	0.8
607.30988	2.3
609.32709	3.8
623.30573	1.0
635.33893	1.0
641.36200	1.0
677.38196	1.4
695.39349	4.6
705.34399	2.0
707.39813	2.8
723.36243	2.1
731.40308	1.0
733.41687	1.6
745.41364	2.2
763.42273	3.4
775.42310	86.2
776.42645	13.5
815.45654	1.8
843.48322	13.0
844.48792	1.5
861.48798	100.0
862.48792	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.7
65.03928	0.4
67.05503	5.5
69.03426	2.9
69.07066	1.9
69.26106	2.1
71.01371	0.7
71.04991	2.3
73.02914	3.7
75.04541	0.3
79.05493	4.5
81.03443	2.0
81.07053	5.9
81.07520	0.4
83.04984	0.7
83.08639	1.0
85.02903	4.9
85.03376	0.4
86.09708	0.6
91.03951	3.0
91.05476	3.0
93.07034	4.5
95.05011	0.4
95.08604	3.6
97.02886	4.4
97.03420	0.3
97.06535	0.8
97.10203	0.4
99.04456	1.0
101.02359	2.1
105.07037	1.7
107.08590	2.3
109.02901	1.0
109.06545	0.3
109.10181	1.8
117.07049	0.7
119.08578	1.5
121.10107	1.6
123.11694	0.3
125.09675	0.6
127.03937	1.4
129.07025	0.3
131.08563	0.9
133.10149	0.9
135.11719	0.8
139.68582	0.3
145.10135	0.6
147.11690	0.4
159.11769	0.3
179.48981	0.3
184.07402	1.1
185.04184	0.9
203.05124	0.3
243.08356	2.4
259.07910	0.4
288.15268	0.3
301.08899	0.5
335.21875	0.5
335.25790	0.4
365.23050	3.0
421.25732	0.4
519.29382	5.7
519.36292	0.2
520.29669	0.6
583.30927	5.5
584.31311	0.6
691.40698	0.5
856.61957	0.3
861.53296	100.0
862.53662	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	2.1
67.05507	22.5
69.03418	5.4
69.07066	22.1
69.09454	3.4
69.09867	8.2
71.04987	1.7
73.02914	1.3
79.05498	15.8
81.03420	2.8
81.07053	57.3
83.04977	1.4
83.08620	9.0
83.91328	1.3
85.02903	23.5
85.06539	3.5
91.05473	11.0
93.07040	41.9
93.07628	2.4
95.04948	2.1
95.08600	53.7
97.02888	6.9
97.06541	6.2
97.10165	12.4
105.07028	26.5
107.07855	2.4
107.08588	47.3
109.02884	3.1
109.06525	2.2
109.10149	39.9
111.08086	5.5
111.11736	3.5
113.09648	1.7
117.07063	2.2
119.08567	19.6
121.10138	35.5
123.08077	3.0
123.11706	22.5
125.09615	5.1
127.03883	4.9
127.07519	1.5
131.08530	2.1
133.10114	19.1
135.11682	22.4
137.05978	2.3
137.09627	2.4
137.13235	5.5
139.11185	4.2
145.04979	6.3
145.10124	6.0
147.04416	2.7
147.11688	18.7
149.13243	50.7
150.13570	1.7
151.11192	5.2
153.12634	1.6
154.30130	1.3
157.10040	2.1
159.11681	6.4
161.13237	11.6
162.38071	1.5
163.05995	4.3
163.14813	15.7
165.12779	3.9
165.16415	3.0
165.38307	1.4
171.11641	1.3
173.13312	4.6
175.14832	6.6
177.12810	2.1
177.16322	6.9
179.14259	3.6
187.13336	1.6
187.14867	2.4
189.16452	7.4
191.14345	1.9
195.17462	5.6
205.15958	1.7
209.15326	2.1
213.16507	1.7
219.90178	1.4
235.16905	1.5
257.22696	1.8
259.24197	5.4
269.22601	5.0
275.23703	6.1
277.25262	12.3
287.23666	11.2
293.24704	19.5
305.24738	100.0
306.25052	5.7
311.25864	3.8
323.25797	47.5
324.26276	3.0
341.26840	5.5
359.27878	5.7
413.27039	2.0
437.28897	4.8
449.29044	13.0
467.30103	9.6
485.31064	1.6
598.44037	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.2
67.01852	1.4
68.99796	5.4
71.29244	1.6
77.80780	0.9
79.14878	1.0
80.42103	1.2
81.03418	1.4
81.48679	1.0
83.01373	1.1
94.96182	0.9
104.87598	0.9
105.03433	1.1
111.00793	2.1
111.04462	2.9
115.05440	1.1
121.02840	2.2
123.04426	21.3
127.03934	5.5
129.07040	1.5
131.04849	1.0
132.51601	0.9
135.04416	4.1
137.02356	15.4
137.03392	1.7
139.03893	27.8
141.06979	2.0
145.02881	1.4
145.06506	2.0
147.04405	7.1
149.02325	14.8
150.03064	1.3
151.03920	4.4
153.01842	11.4
155.03354	1.4
155.04953	1.2
157.06505	1.6
161.05965	4.5
163.03931	9.5
167.04880	1.3
169.06502	1.2
171.04399	1.9
173.06015	3.4
175.03891	3.8
175.07613	1.4
177.01830	1.2
177.05551	1.6
179.03398	9.1
181.04985	2.5
181.06482	1.2
183.04474	1.8
185.06009	2.9
187.03902	3.5
189.05489	3.3
197.06041	3.1
199.03914	2.2
201.05473	7.2
203.03346	6.6
203.07005	1.7
209.06042	1.1
211.03908	1.4
213.05447	6.6
215.03419	1.9
215.07019	4.4
217.04941	2.2
221.72954	1.1
225.05440	2.0
227.03392	2.7
227.06880	1.3
229.04951	11.6
230.05605	2.1
231.06480	15.4
231.08469	1.6
237.05383	2.6
239.03439	1.3
239.06955	1.4
241.04968	5.1
243.06487	4.0
245.04419	4.3
247.05952	12.5
252.07504	1.0
253.04970	6.8
255.06421	1.8
257.04407	23.1
258.05206	3.4
259.06012	16.2
265.04901	1.2
266.05692	1.3
267.06436	2.0
269.04395	7.7
271.05911	15.1
275.07169	1.3
279.06476	1.5
281.04468	4.5
282.05292	1.3
283.06039	4.1
285.03983	5.7
287.05472	100.0
288.05624	5.8
293.04507	2.1
295.06033	2.2
297.03879	1.8
299.05469	28.0
300.06000	1.4
301.08270	2.2
303.06525	1.8
307.05972	1.6
309.03912	4.2
311.05594	3.8
316.07303	1.1
317.08145	1.5
319.06100	2.2
321.07828	1.4
323.05420	1.6
327.04889	1.9
329.07913	1.8
333.07678	2.5
337.03256	1.8
337.07123	2.0
345.07431	1.8
347.09113	2.8
349.07239	1.6
357.07635	2.1
361.06940	1.7
363.08725	1.6
365.06583	2.2
373.07034	1.7
375.08682	3.1
377.06436	2.4
379.08102	2.3
385.07043	2.9
389.06400	4.3
391.08057	6.6
393.09647	1.3
394.08112	1.6
401.06534	1.4
403.08038	5.6
405.06021	2.9
407.07455	8.4
409.09250	4.1
417.06021	1.5
419.07483	6.3
423.07037	1.7
425.08664	31.9
426.08911	2.2
431.07501	6.6
432.08261	1.2
433.09323	2.4
437.09039	1.4
449.08563	1.5
459.07077	11.6
460.07419	1.5
509.08237	1.3
527.09424	1.5
539.09314	2.3
541.08319	1.5
543.09149	2.7
545.10657	4.7
557.10675	3.8
559.12067	3.5
567.09406	8.9
569.10596	1.4
585.10199	45.3
586.10352	4.5
611.11731	1.4
665.12384	1.1
675.11243	3.4
677.12366	1.4
693.12274	11.6
694.11890	1.9
695.13184	2.7
711.13373	20.6
712.13892	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	2.4
67.05511	1.1
68.99793	11.5
69.13131	0.8
70.74108	1.8
77.03938	1.5
79.05495	1.4
81.03414	3.2
83.04971	1.2
85.02905	1.8
85.85934	0.9
89.03931	2.9
93.03396	2.0
95.04963	2.4
99.14681	0.9
103.05450	1.4
105.03376	1.4
107.04963	6.8
109.02885	4.0
111.00793	11.2
111.04437	9.5
115.05487	2.0
117.03413	2.2
119.04929	2.3
121.02866	2.5
122.57735	0.9
123.04433	76.1
124.04734	1.4
127.03917	92.1
128.04256	1.4
131.04935	3.4
135.04417	68.0
136.04727	1.5
137.02316	6.3
137.05995	1.8
139.03903	51.6
140.04271	1.9
143.04912	2.3
145.02826	1.2
145.06509	1.6
147.04424	8.9
149.02359	11.1
149.05994	3.5
150.02856	0.9
151.03909	19.0
151.35994	0.8
153.06967	1.4
155.04918	1.3
157.06555	1.9
159.04398	3.7
161.02272	1.0
161.06012	6.1
163.03905	74.2
164.04413	1.5
165.01889	2.0
165.05450	5.9
167.03409	5.0
169.04944	3.3
169.06349	2.0
173.05988	6.3
175.03897	2.6
177.05492	8.5
179.03401	10.3
181.04890	1.4
181.06416	1.1
183.04449	2.8
185.05898	1.4
187.03868	8.6
187.07394	1.0
189.01933	1.5
189.05460	3.7
191.03403	14.0
192.03845	1.2
193.05000	2.4
197.05994	4.9
201.05478	10.8
203.03410	15.7
203.07048	2.8
205.04962	4.8
207.02893	1.1
207.06491	1.2
209.06071	1.1
210.37672	0.9
211.03816	1.5
213.05423	4.5
215.03433	5.8
215.07066	2.8
217.04955	4.1
219.06438	1.4
221.04343	1.1
223.02386	1.3
225.05496	2.8
227.03511	1.0
227.06958	1.7
229.04933	14.7
230.05495	1.0
231.02863	1.2
231.06479	2.1
233.04459	6.9
235.02330	1.2
237.05455	2.5
241.04965	4.0
243.02829	1.6
243.06493	6.6
244.03699	1.6
244.06845	1.0
245.04457	100.0
246.04765	3.4
247.06018	61.7
248.06354	2.5
253.04965	3.4
255.06505	4.1
257.04456	19.1
258.05087	2.3
259.06021	14.7
261.07629	3.1
263.05423	1.3
265.04840	1.2
267.06284	1.1
269.04355	6.3
271.05988	28.8
272.06445	1.3
273.07608	1.7
274.04758	5.1
275.05487	31.2
279.06665	1.1
281.04434	4.0
283.05991	12.2
285.03989	2.9
285.07285	2.2
287.05460	25.4
288.05646	1.8
289.07059	31.5
290.07452	2.2
291.08685	14.4
295.05945	4.3
297.03928	3.1
297.07346	1.5
299.05548	7.8
301.07053	14.9
303.05087	2.1
303.08633	2.6
307.05942	2.1
309.04037	1.8
311.05524	3.6
311.73755	1.0
313.07053	3.7
323.05554	3.4
331.08115	1.9
333.07556	1.1
351.04877	3.5
361.07037	2.0
365.06525	4.0
367.08093	1.1
373.07242	1.3
377.06662	2.7
379.08078	4.0
383.07602	5.5
389.06628	3.1
391.08078	3.7
393.05853	5.9
395.07480	2.6
397.09317	9.4
405.05661	4.7
407.07608	34.1
408.07968	3.2
409.09158	25.7
410.09119	2.7
411.10736	3.3
419.07370	7.2
421.09064	4.7
425.08734	11.4
426.09210	1.3
427.10281	15.4
428.10205	1.7
431.07651	1.4
433.09045	3.5
435.10641	2.2
437.08609	13.1
439.09967	2.2
449.08606	4.4
451.10397	5.4
453.11618	1.9
469.11630	1.2
517.11169	3.7
527.09882	4.7
529.11945	1.0
535.12189	2.0
541.10974	2.1
545.10693	8.1
546.10101	1.4
557.10870	1.5
571.12732	1.8
579.14948	3.0
631.48914	1.1
679.14142	2.3
697.15161	4.0
705.18329	6.0
715.15918	1.7
867.23773	19.5
868.23328	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02370	0.7
65.03934	2.2
67.01865	0.7
67.05499	1.5
68.99785	8.3
70.76952	1.0
70.77316	0.9
79.05470	1.3
81.03410	3.4
83.04976	0.9
83.76663	0.6
85.02912	1.2
89.03900	2.0
91.05482	1.4
93.03391	3.2
95.04960	1.5
99.04462	1.8
103.05428	0.7
105.03398	1.4
107.04953	5.6
109.02866	2.9
109.04427	0.5
111.00802	5.8
111.04435	9.2
115.05481	1.1
117.03362	1.7
119.04934	2.3
121.02848	1.9
123.04423	64.2
124.04780	1.3
127.03908	100.0
128.04247	2.3
131.04922	2.7
135.04410	57.7
136.04776	1.9
137.02325	4.1
137.05994	1.3
139.03894	42.8
140.04201	1.5
141.06963	1.5
143.04895	1.5
145.02869	0.6
145.06366	0.6
147.04388	7.2
149.02344	8.1
149.05960	1.8
150.02963	0.6
151.03893	14.3
153.05460	0.7
155.04932	1.3
157.06497	1.0
159.04405	3.5
161.05940	4.5
163.03900	51.0
164.04280	1.8
165.01917	0.6
165.05479	5.2
167.03377	5.1
169.05031	1.2
169.06485	2.2
173.02374	0.6
173.05991	4.5
175.03867	2.6
175.07603	0.6
177.05466	6.1
179.03406	7.5
181.04916	0.8
181.06400	1.1
183.04417	1.8
185.05959	1.3
187.03856	8.4
189.01880	0.7
189.05377	2.9
191.03375	8.6
193.05000	2.0
197.05949	4.0
199.07536	0.5
201.05463	6.8
203.03384	10.8
203.06927	2.5
204.03752	0.6
205.04950	2.9
207.02922	0.6
207.06514	1.0
211.03906	0.6
213.05482	3.3
215.03482	3.1
215.06981	3.1
217.02979	0.5
217.04956	2.4
219.06532	1.0
223.02402	1.3
225.05452	2.4
227.07047	0.5
229.04953	9.7
231.02840	0.7
231.06525	3.1
233.04393	3.0
237.05554	1.3
241.04987	2.2
243.02744	0.7
243.06516	5.4
245.04443	52.4
246.04755	2.6
247.05998	36.6
248.06346	2.2
249.05499	0.6
253.04948	2.0
255.06528	2.4
257.01721	0.4
257.04419	13.3
258.05054	1.9
259.06006	9.0
261.07538	3.2
263.05521	1.7
265.04865	1.3
269.04431	4.0
271.05975	24.8
272.06415	0.8
273.04080	0.8
273.07596	1.7
274.04684	2.5
275.05472	17.2
276.06067	0.8
281.04443	1.8
283.06006	7.3
283.08972	1.0
285.03775	1.1
285.07379	0.9
287.05457	19.5
288.06046	1.0
289.07043	28.8
290.07373	1.9
291.08640	14.0
292.09021	0.9
295.06009	1.7
297.03958	2.0
297.07266	0.7
299.05515	4.5
301.07010	8.1
303.05139	0.9
303.08636	2.2
307.05908	0.9
309.03812	1.9
311.05481	1.9
313.07220	1.6
321.03983	0.8
323.05502	1.8
331.08240	0.6
339.08441	0.6
351.05017	1.5
361.07089	1.7
365.06467	1.2
373.06641	0.6
377.06509	0.9
379.08142	2.2
383.07419	1.5
389.06509	2.0
391.08005	2.0
393.05991	2.5
395.07816	0.7
397.09183	4.6
401.06934	1.0
405.06104	2.0
407.07550	19.0
408.07962	1.7
409.09137	20.6
410.09512	1.8
411.10727	4.3
419.07458	2.8
421.09085	2.5
425.08591	6.7
426.09116	0.8
426.50977	0.6
427.10281	9.0
431.07916	0.6
433.09229	2.3
435.10666	2.2
437.08661	6.0
439.10138	1.8
449.08578	1.4
451.10205	1.7
453.11581	1.8
517.11212	1.7
527.09546	1.5
541.11346	1.1
545.10614	3.7
559.12042	0.8
561.13440	1.3
577.13202	0.7
579.14868	3.4
697.15527	1.6
784.22656	0.6
803.19379	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
62.16560	0.8
65.03934	3.3
67.01858	1.1
67.05501	1.2
67.51307	0.9
68.99783	11.0
70.88240	1.4
77.03934	1.7
79.05490	1.7
81.03409	4.8
83.04980	2.4
85.02893	2.4
89.03920	2.9
92.05804	0.9
93.03400	3.3
95.04969	2.3
99.04423	1.0
103.05454	1.5
105.03386	2.0
107.04929	7.3
109.02852	4.0
111.00806	9.4
111.04430	10.8
115.05456	1.2
117.03377	2.5
119.04935	3.1
121.02861	2.4
123.04422	87.8
124.04781	2.2
127.03909	100.0
128.04242	2.5
129.07050	0.9
131.04900	4.1
133.06435	1.0
135.04408	80.1
136.04732	2.0
137.02336	5.7
137.05968	2.1
139.03893	62.3
140.04234	1.3
141.06917	1.2
143.04881	1.3
145.02855	1.4
145.06468	1.7
147.04407	8.5
149.02315	7.1
149.05966	2.9
151.03903	21.2
153.05492	0.9
153.06966	1.0
155.04869	2.1
157.06490	2.1
159.04399	5.7
161.02434	1.0
161.05983	5.1
163.03894	75.8
164.04327	3.2
165.01810	1.7
165.05484	4.1
165.06732	0.9
167.03389	6.8
167.04599	1.1
168.05670	0.8
169.04956	7.0
169.06512	2.8
173.02290	1.9
173.05980	5.1
175.03906	5.7
177.05415	7.2
179.03366	11.8
181.04926	2.1
181.06422	1.3
183.04419	3.5
185.05983	2.0
187.03873	8.6
189.05469	5.6
191.03366	12.5
193.04947	3.4
197.05957	4.2
199.03931	1.2
200.04712	1.0
201.05463	9.8
203.03378	19.0
203.07016	3.4
205.04942	4.0
207.06447	1.2
211.03870	1.1
213.05447	4.6
215.03432	4.2
215.07047	3.3
217.04933	4.1
219.06523	1.8
221.04375	1.4
223.02376	3.6
225.05472	4.3
227.03339	1.4
227.07124	1.4
229.04947	15.3
231.02751	1.1
231.06511	3.7
233.04417	5.3
235.02319	2.3
237.05406	1.4
241.04930	5.6
243.03166	0.8
243.06529	7.8
245.04436	75.2
246.04738	2.9
247.06009	47.2
248.06343	2.0
251.05435	1.1
253.04958	3.6
255.06499	3.4
257.04434	21.3
258.05051	2.9
259.05911	11.5
261.07602	3.9
263.05389	1.5
265.04880	1.9
267.06500	2.1
269.04398	8.0
270.04999	1.1
271.05972	32.0
272.06363	1.9
273.04120	0.9
273.07394	2.1
274.04745	2.7
275.05469	19.3
275.08313	1.6
276.05786	1.1
279.06433	1.3
281.04395	2.0
283.06015	13.1
285.03918	3.3
285.07034	1.6
287.05478	24.6
289.07056	37.9
291.08652	15.1
293.04401	1.2
295.05948	4.0
297.04065	1.8
297.07397	1.6
299.05530	9.8
301.07019	20.2
302.07474	1.3
303.05225	1.1
303.08618	2.2
307.06079	1.3
309.03754	2.5
311.05402	5.1
313.07025	5.9
315.04965	1.3
321.07489	1.4
323.05484	3.5
327.05029	1.7
329.06442	1.2
331.08087	2.6
333.07455	1.1
337.07074	1.2
341.06439	1.8
345.07431	1.8
349.07153	1.5
351.04965	3.7
361.06967	2.5
363.08548	1.7
365.06534	1.4
377.06351	1.5
379.08115	6.2
383.07419	2.1
389.06415	3.1
390.06992	1.0
391.08072	4.0
393.05948	5.2
395.07312	1.9
397.09277	4.7
401.06458	1.4
405.05585	4.6
407.07611	23.2
408.07956	1.3
409.09152	29.9
410.09366	1.6
411.10745	5.2
415.08185	1.0
419.07596	6.5
421.09024	4.3
425.08704	10.1
426.08975	1.2
427.10175	12.8
428.10120	1.0
431.07654	1.7
433.09030	5.7
435.11069	1.1
437.08640	8.3
439.10541	1.2
449.08450	4.4
451.10141	8.8
453.11395	1.2
469.11212	1.9
482.95486	1.0
527.09601	4.1
529.11151	2.1
531.13293	1.1
541.10828	1.3
543.12823	1.0
545.10687	7.4
553.11005	1.3
554.10675	0.9
557.10870	1.2
559.11835	1.7
571.12097	3.5
577.13104	1.4
579.14569	3.5
589.13647	1.8
668.88611	1.0
679.15039	1.4
697.15295	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.5
67.01858	0.9
67.05499	1.1
68.99792	7.9
69.07671	3.7
69.08080	1.4
77.03935	1.0
79.05506	1.5
81.03421	5.4
83.04977	1.3
84.17329	0.6
85.02909	1.2
89.03921	2.8
91.05477	1.4
93.03423	2.0
95.04985	1.7
99.04465	1.8
103.05476	1.5
105.03384	1.4
107.04954	6.5
109.02871	4.6
111.00813	6.7
111.04446	5.9
115.05419	1.0
116.00024	0.6
117.03401	2.1
119.04945	1.9
121.02865	2.0
122.41494	0.6
123.04439	60.6
124.04813	0.9
127.03923	100.0
128.04239	0.9
129.06981	1.0
131.04921	3.8
135.04424	58.6
136.04761	1.5
137.02365	6.8
137.05974	1.0
139.03908	45.7
140.04262	1.2
141.06998	1.9
142.41460	0.6
143.04907	1.3
145.02873	1.3
145.06487	1.7
147.04405	7.7
149.02350	6.2
149.06010	2.1
151.03920	13.8
155.04959	1.7
157.06483	1.2
159.04443	4.2
161.02353	1.9
161.06020	4.5
163.03917	56.0
164.04228	1.1
165.05507	5.0
167.03418	6.1
169.05077	1.4
169.06520	2.6
172.82260	0.6
173.05971	4.2
175.03900	3.5
177.05478	7.3
178.20613	0.7
179.03398	10.4
179.04832	0.9
181.05009	1.4
181.06573	1.2
183.04459	2.1
185.05977	1.8
187.03856	7.5
187.07509	1.2
189.01888	0.8
189.05466	3.6
191.03383	8.7
193.04977	1.7
197.05981	4.6
199.03943	1.3
201.05467	8.9
203.03395	11.6
203.07019	2.4
204.03955	0.7
205.05028	3.3
207.02864	1.7
207.06528	1.4
213.05492	3.8
215.03424	2.5
215.07062	2.3
217.05011	2.3
219.06485	1.5
221.06305	0.7
223.02318	1.3
225.05518	2.6
226.05959	0.9
227.03409	1.5
227.07033	0.8
229.04988	10.7
231.02901	1.0
231.06528	2.9
233.04468	4.6
237.05510	1.1
241.04980	3.2
243.06488	5.0
245.04463	39.2
246.04872	1.9
247.06038	45.2
248.06409	2.6
249.00946	0.7
253.04872	3.8
255.06444	3.1
257.04489	14.0
258.05066	1.6
259.06027	12.8
261.07571	1.4
263.05569	0.9
265.05090	0.8
267.06708	1.6
269.04498	5.6
270.05066	1.0
271.06021	23.0
272.06302	1.2
273.07614	1.8
274.04700	1.9
275.05496	14.8
279.06522	1.5
281.04517	4.0
283.03033	1.2
283.06009	9.7
285.03815	1.2
287.05533	20.0
288.05649	0.9
289.07056	21.8
290.07373	1.3
291.08673	11.1
293.04373	1.0
295.06204	3.4
297.03992	2.2
297.07611	2.0
299.05499	6.3
301.07101	14.6
303.08618	2.4
307.06042	0.9
309.03903	3.6
311.05548	3.3
313.07104	2.4
319.06268	0.7
321.03912	0.9
323.05478	3.1
325.07208	1.2
335.05457	1.0
337.07028	1.2
341.06549	1.2
349.06964	0.8
351.05121	4.9
361.07101	0.9
363.08850	0.9
365.06567	3.4
367.07852	1.1
377.06482	1.7
379.08246	3.9
383.07632	7.7
389.06625	2.3
391.08047	2.8
393.05905	6.5
395.07593	3.1
397.09189	3.0
401.06702	1.1
405.05905	4.6
407.07663	10.5
409.09225	21.1
409.14578	1.1
410.09488	1.4
411.10864	2.7
419.07526	3.3
421.09204	2.6
423.05994	0.8
425.08612	5.1
426.08728	0.8
427.10312	9.9
433.09259	1.8
435.11032	1.2
437.08740	4.8
439.10199	1.9
449.08459	1.9
451.09955	2.5
453.12167	1.0
517.11334	5.1
527.09790	4.2
529.10986	0.9
535.12128	1.5
545.10767	9.1
571.12311	1.5
577.13379	1.2
579.14838	2.3
679.13989	1.9
697.15222	3.9
736.27734	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
61.43448	0.6
65.03941	2.1
67.05515	0.8
67.08656	0.6
68.99781	5.5
70.14985	0.7
79.05498	1.1
81.03425	2.4
83.04989	0.6
85.02919	0.6
89.03916	2.0
93.03403	2.4
95.04958	2.1
105.03391	1.1
107.04961	5.4
109.02883	3.4
111.00810	7.8
111.04447	7.3
115.05419	0.6
117.03372	1.5
119.04937	2.2
121.02909	2.0
123.04432	55.7
123.34409	0.6
124.04765	1.3
127.03918	54.3
128.04309	0.9
131.04919	2.4
135.04417	52.1
136.04750	1.0
137.02403	3.9
137.03340	1.0
137.06035	1.7
139.03902	37.2
140.04204	1.0
145.02791	0.8
145.06519	1.0
147.04395	6.7
149.02347	6.9
149.05971	1.5
151.03908	13.8
153.01730	0.6
153.06984	0.7
155.04929	1.0
159.04457	3.2
161.05969	3.3
163.03903	50.0
164.04279	1.2
165.01859	1.5
165.05507	4.3
167.03471	2.9
169.04977	2.3
169.06425	1.3
173.05988	3.9
175.03912	2.2
175.07426	0.7
177.05493	6.0
179.03419	7.0
181.04958	0.8
181.06438	0.7
183.04379	1.6
185.05997	1.8
187.03885	5.7
189.01755	0.7
189.05423	3.6
191.01804	0.9
191.03400	10.9
193.04988	1.7
197.05940	2.9
201.05467	7.1
203.03383	13.5
203.07101	1.8
205.04956	3.2
207.02788	0.9
207.06557	0.8
213.05447	2.7
215.03377	4.4
215.07018	1.8
216.04083	0.8
217.04958	3.3
219.39944	0.5
221.04419	1.0
223.02310	2.8
225.05357	1.4
228.79431	0.6
229.04967	11.3
231.06502	2.7
233.04449	4.9
237.05447	0.6
241.04970	2.6
243.02856	1.4
243.06407	3.3
244.03592	0.8
245.04460	100.0
246.04790	4.2
247.06015	51.4
248.06319	1.8
249.30458	0.6
253.05008	1.7
255.06516	2.1
257.04477	14.0
258.05176	1.2
259.06000	11.3
261.07626	2.3
263.05365	0.8
265.05026	0.9
269.04333	3.9
270.04977	0.7
271.05972	16.5
273.07495	1.4
274.04785	4.8
275.05499	27.0
276.05750	0.9
281.04510	1.6
283.06042	6.1
285.04013	2.6
286.04669	1.5
287.05478	19.1
288.05896	0.8
289.07065	27.0
290.07248	1.5
291.08612	9.3
295.06003	2.2
297.04031	1.4
297.07532	0.9
299.05502	4.4
301.07059	13.6
303.05054	1.7
303.08646	1.5
307.05957	1.1
309.03897	2.1
311.05478	2.2
313.07040	1.0
321.07626	0.8
323.05469	2.2
329.06610	0.9
331.08264	0.7
333.07550	0.8
343.05991	0.8
345.07745	0.8
351.04990	2.4
352.05099	0.9
361.07013	2.7
363.08795	0.9
365.06729	1.3
373.06970	0.8
377.06390	1.2
379.08209	2.5
383.07608	2.5
389.06500	1.6
391.08032	2.5
393.06000	3.4
395.07550	1.1
396.08224	1.4
397.09161	10.3
398.09467	0.8
405.05981	2.7
407.07596	33.6
408.07809	3.6
409.03992	1.3
409.09177	20.3
410.09378	1.3
411.10681	2.6
415.07324	0.7
419.07596	5.4
421.09036	2.6
425.08557	7.1
427.04501	0.9
427.10254	11.7
428.10513	1.4
431.07571	1.9
433.09116	1.6
435.11014	1.3
437.08716	11.9
438.09036	1.0
439.10242	1.6
449.08704	3.6
451.10208	3.9
453.11484	1.0
517.11377	1.3
527.09558	0.7
535.12067	1.8
541.11078	2.1
545.10693	4.8
546.11853	0.7
559.11963	0.8
571.12134	1.4
577.13293	1.0
579.14624	1.8
589.13727	0.8
639.91949	0.7
697.15137	2.5
715.16235	0.9
720.64191	0.8
882.58069	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	1.5
67.05485	0.8
68.99778	10.0
69.00079	2.5
69.00492	3.2
74.65832	0.7
77.03899	1.2
79.05477	1.1
81.03410	3.1
83.04993	1.3
85.02869	0.9
89.03912	3.0
91.05452	1.2
93.03398	2.5
95.04955	2.1
99.04482	0.7
105.03410	0.8
107.04943	6.2
109.02879	2.9
110.91582	0.6
111.00813	9.3
111.04451	4.2
115.05422	0.9
117.03407	1.3
119.04961	1.4
121.02867	1.9
123.04427	58.2
124.04763	1.3
127.03915	73.7
128.04250	2.2
131.04906	2.4
133.02916	1.0
135.04417	50.3
136.04707	1.7
137.02322	3.1
139.03899	36.4
140.04250	1.0
141.06961	0.9
143.04929	1.3
145.02806	1.2
145.06430	1.4
147.04422	6.5
149.02345	7.7
149.05971	2.4
150.03043	1.0
151.03905	11.6
153.05373	1.0
155.04938	2.2
157.06401	0.7
159.04471	3.5
161.02330	0.8
161.05994	3.7
163.03903	58.9
164.04317	2.3
165.01834	0.9
165.05522	3.9
165.06767	0.9
167.03459	4.6
169.04947	3.1
169.06433	1.7
173.05962	4.2
175.03891	3.1
177.05481	5.7
178.05847	0.8
179.03394	8.0
181.04984	1.6
181.06416	1.0
183.04335	1.2
185.06021	2.0
187.03853	7.8
189.01799	0.8
189.05447	2.3
191.03387	11.3
193.04968	1.4
197.06003	4.1
201.05455	9.3
203.03394	15.5
203.07013	0.9
205.04921	3.5
207.02884	1.0
213.05472	2.7
215.03394	4.0
215.07045	2.9
217.04951	2.6
219.06465	1.7
223.02391	2.6
225.05461	2.4
227.03357	1.5
227.07039	1.2
229.04961	11.4
230.05441	1.0
231.02924	1.0
231.06531	1.2
233.04430	4.7
237.05383	1.5
241.04982	3.0
243.02870	1.1
243.06487	4.8
244.03729	1.4
245.04459	100.0
246.04814	4.9
247.06010	52.0
248.06276	2.9
253.05003	2.1
255.06522	2.0
257.04440	12.5
258.05142	1.3
259.05991	8.9
261.07507	2.1
263.05573	1.9
265.05112	0.9
266.05316	0.7
267.06403	1.1
269.04428	4.8
270.05038	1.0
271.06000	23.6
271.08951	1.1
272.06387	1.8
273.07538	1.1
274.04724	6.3
275.05493	31.9
276.05731	1.1
277.04935	0.7
279.06445	1.3
281.04428	1.6
283.06036	9.7
285.03979	1.8
286.04642	1.3
287.05490	20.8
289.07071	26.7
290.07211	1.7
291.08630	10.7
292.08856	1.0
295.05960	2.5
297.03915	1.4
297.07437	1.5
299.05389	4.5
301.07019	10.4
303.05106	1.3
303.08524	1.5
307.05951	1.0
309.03906	1.8
309.07489	0.8
311.05505	2.1
313.07181	2.1
321.07709	1.5
323.05502	3.0
329.06473	1.2
331.08151	2.4
345.07541	1.0
349.06924	1.1
351.05124	1.8
361.07080	2.2
363.08755	1.6
365.06577	1.6
375.04626	0.9
377.06738	1.1
379.08151	3.0
383.07651	3.2
389.06494	1.8
390.06790	0.8
391.08115	2.4
393.05832	3.7
395.07468	1.4
396.08444	2.1
397.09229	11.8
398.09579	1.1
405.05878	3.3
407.07596	34.7
408.07806	2.7
409.09183	22.8
410.09412	2.0
411.10699	3.4
419.07520	6.1
421.09100	4.2
425.08643	8.4
426.09235	1.1
427.10239	11.2
428.10388	1.1
431.07629	1.2
433.09137	3.0
435.10721	0.9
437.08713	12.6
439.10416	1.3
449.08633	3.4
451.10245	4.9
453.11981	1.1
517.11554	3.3
527.09851	3.4
529.11407	1.0
535.12531	0.9
541.11407	2.3
545.10925	7.4
557.10870	1.2
559.12311	1.4
571.11908	2.0
577.12701	1.3
579.14642	3.1
679.14465	2.1
697.15387	2.8
819.20807	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2371
Annotation	Ormocarpin
Peak:m/z	Relative Intensity
64.87416	0.8
69.46141	5.3
72.13554	0.7
89.19770	0.9
94.93036	1.2
102.07438	0.8
128.42722	1.0
158.83980	0.9
212.85257	11.9
214.84978	2.4
250.80986	1.2
268.98303	1.0
544.13513	0.9
705.18451	41.4
706.18970	3.6
867.23706	100.0
868.23810	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	14.8
65.03951	2.1
67.05508	34.7
69.03426	7.4
69.07064	9.0
71.01355	3.0
71.04991	4.7
73.02910	7.6
79.05494	35.3
81.03418	29.4
81.07057	27.9
82.04190	4.9
83.01340	7.9
83.04971	19.2
83.08614	15.8
85.02910	19.5
85.06544	2.2
91.03965	10.0
91.05487	30.1
93.07045	36.1
95.04382	1.3
95.04968	21.2
95.08614	11.3
97.02888	15.0
97.06541	6.7
97.10172	14.3
98.07308	6.7
98.22602	2.0
99.04443	3.1
100.68658	1.1
103.05447	1.7
104.69092	1.0
105.07038	17.8
107.04964	13.7
107.08601	18.3
109.02905	1.8
109.06513	8.2
109.10173	9.4
111.04436	5.3
111.08077	5.0
112.25594	1.1
116.04722	12.7
117.07004	12.0
119.08585	15.1
121.06524	4.4
121.10154	13.3
123.04472	1.6
123.08070	14.3
125.06071	1.7
125.09622	16.4
127.03910	3.5
127.11208	1.2
129.05482	29.0
129.06947	6.3
129.91049	1.0
130.05789	1.7
130.07785	2.7
131.08560	9.0
133.10149	7.0
135.08044	3.6
135.11694	13.5
137.09595	3.5
139.07539	1.3
143.07045	7.0
143.10721	1.3
145.04933	2.3
145.10129	16.4
146.17329	1.3
147.08043	4.7
147.11649	5.6
149.09549	2.5
151.11176	1.7
152.63745	1.2
153.09132	2.1
153.12709	3.2
155.08546	1.6
157.08620	14.0
157.09996	2.7
158.05766	2.0
161.09613	1.5
163.05998	4.2
163.11191	28.9
171.06599	2.3
171.10143	4.3
173.09619	4.1
173.11768	1.5
175.11232	3.2
181.04950	1.4
181.12241	6.7
189.11234	7.2
191.10692	6.4
193.12273	5.1
199.13304	5.2
200.14088	2.6
201.14844	2.4
209.11766	12.1
210.12379	2.1
211.13260	2.4
227.12793	17.2
229.14264	2.4
255.15868	1.7
265.14337	1.3
267.15921	9.0
281.17316	1.7
283.15402	84.5
284.15836	6.2
301.16452	78.2
302.16794	3.2
337.16556	5.0
356.67468	1.2
365.19315	2.5
383.22000	2.7
407.24142	1.3
425.25644	3.3
436.24597	1.8
437.25253	9.8
438.25186	1.4
457.25711	2.8
463.26187	1.3
473.28708	4.2
474.26202	2.6
475.26892	10.6
491.26187	3.7
492.27350	7.3
493.27991	2.7
509.27475	100.0
510.27856	11.4
836.13361	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
64.81862	0.1
65.03929	1.3
65.75094	0.1
69.03437	1.4
69.37618	0.1
69.72958	0.5
71.05006	0.1
71.07841	0.1
73.02924	0.2
77.31424	0.1
80.86127	0.1
81.03421	2.1
85.02909	0.8
91.05479	9.5
92.05818	0.1
94.06585	0.2
97.02877	0.4
98.23265	0.2
99.04440	0.2
99.94632	0.1
107.04966	0.1
108.08102	0.3
109.02872	1.3
118.04065	0.1
119.04942	21.8
120.05256	0.7
120.08098	0.1
122.06046	0.4
122.09641	0.1
123.51270	0.1
127.03914	70.4
128.04268	1.3
136.07593	0.5
138.09163	0.3
147.04405	100.0
148.04739	3.2
148.07590	0.2
159.18533	0.1
165.05493	2.2
166.08618	0.4
189.05562	0.2
207.06477	0.2
218.75845	0.1
231.06528	0.1
237.10162	0.4
242.67656	0.1
249.07840	0.2
249.10098	0.6
250.10934	0.2
251.11668	0.2
253.09723	0.1
255.06451	0.2
263.11642	0.2
264.08899	0.2
265.09714	0.4
267.11212	0.2
273.07602	0.3
277.09641	0.4
279.11176	0.5
291.08636	3.9
291.11838	0.2
292.08731	0.3
293.09335	0.6
293.12515	0.1
305.09143	0.1
307.10727	0.2
309.09674	4.3
310.09976	0.2
323.10223	0.2
327.13211	0.2
333.08377	0.2
339.13367	0.3
351.09720	0.7
365.11194	0.1
366.12140	0.1
371.12363	0.2
383.12463	0.6
397.13834	0.3
437.12415	1.1
446.16925	0.2
454.13806	0.1
455.13422	1.5
472.14798	0.3
492.17511	0.4
504.17154	0.2
518.19232	0.3
536.20148	0.6
547.43726	0.1
550.21924	0.2
565.12640	0.1
568.23529	0.1
657.25574	0.8
675.26105	0.1
680.24237	0.8
681.24615	0.2
713.27692	0.8
730.28235	1.2
837.31854	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
60.67529	1.0
61.02929	17.9
65.03946	3.7
66.51659	1.2
67.05505	51.5
69.03435	13.5
69.07072	12.2
69.25948	7.8
71.01346	1.3
71.04995	7.8
73.02920	11.1
79.05494	49.0
80.05827	1.8
81.03418	100.0
81.07056	51.5
82.03759	1.8
82.04186	5.4
82.07397	1.5
83.04986	31.7
83.08621	38.4
84.02147	1.3
85.02908	42.6
85.06541	4.6
87.04479	2.2
90.61465	1.1
91.03970	9.5
91.05483	52.4
93.07039	36.2
95.04971	48.2
95.08605	16.8
96.04510	1.1
96.05800	1.4
97.02893	17.5
97.06531	13.5
97.10172	20.0
98.07322	6.5
99.04456	1.8
99.08126	2.7
105.04573	1.5
105.07033	37.6
107.04952	14.9
107.08591	22.0
108.05717	1.4
109.02876	2.8
109.06523	8.4
109.10164	14.4
111.04445	6.8
111.08085	21.1
113.06017	4.0
115.03920	1.9
115.05450	2.2
116.04720	15.2
117.05537	1.3
117.07018	6.7
117.07722	1.2
119.08581	29.1
121.06518	4.4
121.10136	14.9
123.04448	2.5
123.08054	8.0
123.11701	3.9
125.09631	19.3
127.03909	2.9
127.11207	2.0
129.05487	33.3
129.06976	12.7
130.05914	1.3
130.68610	1.4
131.08571	18.2
133.06499	5.1
133.10143	21.1
135.08066	2.6
135.11702	7.7
137.06071	1.2
137.09618	4.0
139.07423	1.3
142.07774	4.5
143.07056	7.8
143.10614	2.1
145.04944	4.5
145.10118	7.6
147.08058	5.8
147.11685	25.8
149.09631	9.1
153.09125	2.4
153.12741	3.1
155.08572	1.8
155.10597	1.2
157.08612	15.8
157.10133	21.6
158.05800	1.7
163.06056	2.8
163.11200	11.1
164.11917	2.3
165.12747	4.5
171.06499	3.8
171.10210	5.9
171.11533	1.4
173.04456	1.2
173.09587	1.7
173.11800	6.5
175.11189	23.2
181.12195	5.3
185.08080	1.8
185.11624	1.6
189.11284	8.4
191.10722	3.1
193.12248	72.2
194.12589	4.4
199.09576	1.6
199.13280	18.6
199.14934	1.9
200.14088	2.8
201.14778	1.6
209.11720	12.6
210.12372	1.1
211.13284	92.0
212.13666	4.5
224.53154	1.1
227.12762	18.6
227.14799	2.1
229.14372	3.8
247.13293	2.6
249.14999	1.5
255.15866	2.5
265.14093	1.2
267.15894	29.1
268.16373	1.2
283.15417	13.6
284.16000	2.0
285.16949	58.6
286.17191	3.6
301.16452	64.2
302.16840	4.4
339.18021	2.3
367.21420	2.2
383.22296	1.4
409.25699	6.5
427.26956	4.8
439.26889	17.4
459.27322	4.4
475.26810	4.7
476.27460	4.5
477.28409	4.4
493.21857	1.3
493.28116	16.6
494.28458	6.9
495.29483	1.6
511.28973	63.1
512.29547	5.9
533.44623	1.6
645.18872	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03916	2.5
67.05518	5.7
69.07090	3.0
69.71470	10.2
79.05492	4.8
81.07070	10.7
83.04987	3.2
91.05481	5.9
93.07048	9.9
94.08818	2.1
95.04949	4.3
95.08611	18.3
105.07024	12.6
107.08593	6.9
109.06519	3.8
109.10157	4.8
111.04456	2.7
111.08030	3.6
117.07026	2.2
119.08577	10.2
121.06470	3.2
121.10098	2.2
123.08078	2.6
129.07002	4.7
131.08563	6.2
133.10120	5.5
135.08041	5.8
137.05974	3.6
138.63882	2.1
140.77632	2.1
141.07031	3.9
142.07790	4.3
143.08569	8.5
145.10075	9.2
153.05423	3.0
154.07750	2.4
155.08569	21.3
156.09302	3.2
157.10117	10.8
159.08049	3.7
159.11722	6.8
161.09554	2.9
165.06909	3.1
167.07111	4.5
167.08577	4.8
169.10130	11.0
170.10936	13.4
171.08064	3.3
171.11684	6.9
172.99034	2.4
173.09642	4.0
174.07326	1.8
175.11238	3.7
179.08545	5.8
181.08565	2.8
181.10141	7.4
182.10869	1.8
183.07953	2.6
183.11728	7.5
184.07423	2.7
185.09683	3.1
185.13269	3.7
187.07339	2.4
187.11198	3.6
189.09155	2.5
189.12799	2.7
190.88544	1.9
191.08566	3.3
192.09337	6.0
193.10077	12.9
194.10938	5.0
195.11671	11.3
197.09578	7.6
197.13237	3.4
199.14966	2.1
201.09068	7.0
205.10164	6.7
206.10878	7.6
206.12811	1.8
207.11739	16.0
208.12419	4.7
209.09557	4.1
209.13348	10.3
211.11261	2.8
215.10551	2.2
216.11435	17.5
219.08180	2.5
219.09888	3.7
219.11678	8.6
220.12262	2.3
221.09735	2.9
221.11360	3.1
221.13393	14.2
222.13974	4.3
223.11246	5.5
223.14828	6.7
225.09167	3.1
225.12703	2.9
230.51169	2.1
231.11678	6.5
232.12471	4.5
233.09726	2.3
233.13211	10.3
234.13994	2.2
235.11168	5.1
235.14842	6.8
237.12640	5.1
237.16393	4.1
241.12354	2.8
243.11681	3.0
245.13239	7.3
246.14044	3.5
247.11113	5.6
247.14842	7.3
249.12758	8.6
249.16373	4.5
250.13495	2.7
251.14362	3.4
251.17857	2.4
253.12221	3.0
255.13860	4.2
259.11295	2.5
259.14651	5.8
260.15588	4.6
261.12689	7.0
261.16412	8.3
263.14392	6.0
263.17889	5.1
265.12283	3.3
267.13785	7.6
271.14761	2.4
273.12769	2.3
273.16397	2.4
275.14163	3.3
275.17941	10.9
276.18729	2.9
277.15759	4.9
277.19482	7.1
281.15359	2.2
285.15939	2.2
286.17239	1.9
287.14203	2.2
289.15714	6.0
294.79385	2.3
303.17487	10.9
304.17944	2.1
305.18951	3.4
307.16959	2.3
321.18427	7.3
323.20016	6.0
329.18787	2.7
399.23199	3.3
401.24945	22.9
403.21893	2.6
403.26489	5.3
415.26520	13.5
416.27087	13.4
417.23459	2.2
417.28006	23.3
419.22131	23.2
425.24545	5.7
429.24191	2.4
443.25821	69.7
444.26581	39.7
445.27203	4.3
461.26880	100.0
462.27341	20.6
463.28058	3.1
479.27582	6.2
480.28671	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.52
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	1.9
65.03938	4.1
67.05505	74.9
69.03431	14.8
69.07069	57.4
70.07398	0.9
71.04427	1.0
71.05010	5.6
71.08647	1.0
73.02898	1.6
79.05493	54.3
80.05825	1.2
81.03416	13.3
81.07056	50.6
82.07384	1.1
83.04980	11.7
83.08621	15.6
85.02908	3.5
85.06551	4.1
91.05481	51.6
92.05794	1.1
93.07045	46.5
94.04209	1.1
94.07403	1.3
95.01332	2.2
95.04972	16.3
95.08608	35.1
97.02899	10.5
97.06534	18.4
97.10172	16.1
98.22625	1.6
99.04451	1.5
99.08080	2.6
103.05470	2.6
105.04533	2.7
105.07027	37.6
107.04255	1.9
107.04955	17.6
107.08597	29.4
109.02894	1.8
109.06524	7.1
109.10158	24.9
111.04463	1.8
111.08092	5.0
115.05454	3.2
115.07584	1.4
116.06218	1.2
117.07014	16.7
119.04964	2.6
119.08577	27.4
121.06506	7.1
121.10138	8.8
123.04385	1.2
123.08105	7.3
123.11696	2.5
125.09645	12.8
127.03940	2.7
128.06215	2.7
129.05518	1.9
129.06995	8.1
130.07814	1.4
131.08563	17.3
132.05724	1.1
133.06476	5.1
133.09204	1.5
133.10144	17.6
134.07288	0.9
135.08044	7.4
135.11696	7.9
137.09612	11.6
139.07568	1.0
139.11243	0.9
141.07050	2.2
142.07782	1.9
143.08543	8.1
144.09296	1.1
145.06467	2.4
145.10130	15.9
147.08070	8.3
147.11653	9.8
147.12619	1.0
149.09619	12.7
149.13271	4.2
151.07477	1.2
151.11171	4.0
153.09047	1.3
153.12692	1.4
155.08560	3.3
155.10599	1.3
157.08960	1.1
157.10138	6.8
159.08066	3.0
159.11684	10.9
161.09608	4.0
161.13214	4.8
163.11197	7.9
165.09155	2.2
167.10632	1.0
169.10161	2.6
169.12218	1.3
169.40083	1.0
171.10182	2.8
171.11719	4.8
173.09613	1.7
173.11783	2.9
173.13297	4.1
175.11113	4.4
177.12740	3.8
179.14316	5.1
181.12334	1.0
183.11682	2.1
184.07294	1.8
185.13333	2.5
186.01694	1.1
187.11186	2.2
187.14883	1.6
189.11221	5.5
189.12737	2.0
193.12247	2.5
195.13863	2.2
197.13289	1.1
199.14948	1.0
203.10622	1.5
205.12274	4.3
211.13245	2.0
223.13266	21.5
223.15302	1.4
227.12627	4.8
227.17952	1.8
229.14301	5.0
229.19463	2.0
233.15375	1.5
239.17972	2.7
245.19066	2.5
249.14796	4.8
253.14401	2.0
257.19101	4.6
267.16156	1.2
273.18506	16.2
274.18842	1.4
275.20050	20.6
291.19534	100.0
292.19934	3.9
293.21124	1.8
297.17093	1.1
347.22037	2.0
349.23697	25.6
350.23929	2.1
363.21683	1.1
365.23230	23.6
366.23831	1.8
382.21704	1.0
461.28827	3.3
519.33282	5.5
527.33948	1.0
543.37079	4.8
559.36169	1.1
611.41718	1.1
639.32538	1.8
639.42487	22.2
640.42383	2.2
655.41589	1.5
657.43079	1.2
870.43414	1.5
871.43744	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	5.8
67.05509	2.5
69.03428	3.7
69.07064	1.1
69.36995	1.4
69.37419	2.2
71.01360	0.6
71.05007	0.7
71.08611	0.6
73.02909	3.5
79.05506	1.2
81.03406	1.3
81.07045	3.3
83.05006	0.6
83.08616	1.0
85.02895	5.2
91.03959	4.4
91.05460	0.8
93.07043	1.5
95.08630	1.5
97.02900	5.6
98.23406	1.0
99.04488	1.1
101.02409	2.2
107.08616	0.9
109.02865	1.6
109.10159	0.7
111.08195	0.5
121.10144	0.8
127.03978	1.7
143.18330	0.6
145.04984	0.5
149.13341	1.6
155.55573	0.6
159.11636	0.8
177.00798	0.5
185.04205	1.3
235.13144	0.9
243.08490	2.4
269.17480	0.7
298.99402	1.0
313.27548	0.9
347.09619	2.2
365.10779	1.2
377.33783	0.6
405.13708	4.9
453.21045	8.1
497.30615	4.5
540.36304	0.6
611.69537	0.5
615.26227	8.4
659.36365	3.0
675.11346	0.7
709.45239	1.9
871.50201	100.0
872.50586	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	3.4
65.03944	1.7
67.05500	18.6
69.03429	4.1
69.07079	5.3
71.04988	2.6
71.29090	1.1
73.02911	1.2
79.05493	19.7
81.03415	82.5
81.07057	16.5
82.03766	1.4
82.07365	1.0
83.04977	9.8
83.08617	21.5
85.02896	14.7
85.06551	1.3
91.03962	2.2
91.05476	25.3
92.05789	0.8
93.07033	14.7
95.04369	1.5
95.04968	27.5
95.08594	10.5
97.02878	4.7
97.06536	3.0
97.10159	4.8
99.08079	1.0
103.05453	1.3
105.07026	20.0
107.04940	8.3
107.08597	8.4
109.06509	4.7
109.10164	3.8
111.04434	2.9
111.08080	9.2
114.48535	0.9
115.05481	1.5
117.07008	2.8
119.04951	1.2
119.08577	17.6
121.06495	4.7
121.10150	7.2
123.04430	1.2
123.08073	2.8
123.11759	1.0
125.09653	3.4
127.03964	1.0
129.06987	13.4
131.04878	1.0
131.08565	12.2
133.06479	3.8
133.10156	7.7
135.08112	1.3
135.11646	1.6
137.05945	1.4
137.09676	1.7
142.07788	3.1
143.08542	0.9
145.06468	4.4
145.10143	3.3
147.04469	1.8
147.08060	5.1
147.11674	10.2
149.09599	7.5
155.08485	1.0
157.06438	1.3
157.10106	13.7
161.05898	0.9
161.13467	0.9
163.06137	0.9
163.11240	1.5
164.13214	1.1
165.12679	0.9
167.07062	1.3
169.10194	1.5
171.08044	1.4
173.09587	0.9
175.11186	12.3
180.48621	0.8
183.08011	0.9
185.09729	0.9
185.13202	0.9
189.11255	1.0
193.12233	33.6
194.12517	1.3
195.11684	1.1
199.11127	1.3
205.12300	1.0
211.11343	1.0
211.13261	15.0
213.12727	1.4
219.13879	0.9
225.14774	0.9
231.14043	0.9
233.15427	0.8
237.12726	0.9
249.14867	2.2
255.13811	3.2
267.15900	100.0
268.16357	5.3
273.14752	5.3
285.16956	14.6
286.17297	0.9
301.14420	1.1
309.16806	1.1
339.22635	0.9
341.21078	2.1
349.21558	3.6
367.22708	8.9
385.23630	11.2
393.18933	0.9
403.24832	3.6
405.24167	1.4
415.24780	1.3
433.25882	16.7
434.26367	1.5
441.26242	6.1
459.27380	73.5
460.27710	5.5
477.28445	45.1
477.33752	0.8
478.28906	5.2
495.29041	2.9
501.28302	2.3
519.29254	2.6
567.30188	1.1
585.30402	2.0
603.30640	1.7
854.43567	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	3.9
67.05506	78.0
68.05850	3.2
69.01872	12.2
69.02292	4.9
69.03436	7.7
69.07069	44.6
71.05017	8.4
73.02888	2.1
73.04855	1.8
77.03919	1.8
79.05495	72.7
81.03417	16.4
81.07059	100.0
83.04977	21.6
83.08620	27.6
83.79466	1.6
85.02915	7.8
85.06567	4.2
91.05485	57.6
91.99758	1.8
93.07047	61.7
95.04976	22.4
95.08605	35.9
97.02892	3.7
97.06521	22.4
97.10175	25.8
98.22615	3.0
99.04449	3.7
99.08077	2.0
103.05500	2.5
105.04517	2.4
105.07032	53.1
107.04959	19.5
107.08598	44.3
109.06525	16.5
109.10172	20.1
111.04446	9.6
111.08081	12.1
115.05430	3.2
117.07030	25.4
119.08585	31.8
121.06533	8.9
121.10138	19.4
123.08079	21.2
123.11723	5.7
125.09630	20.5
127.03940	3.4
128.06233	3.3
129.07005	10.9
130.07770	2.2
131.08572	29.8
133.06485	6.6
133.10141	24.4
135.08038	12.1
135.11682	17.4
137.09610	6.7
139.11087	2.1
141.07011	3.2
143.08560	8.8
145.06465	2.4
145.10123	29.9
147.08109	9.2
147.11662	14.5
149.09581	16.8
149.13255	10.1
151.11206	2.2
153.09122	5.1
153.12769	5.1
155.08525	3.9
157.10115	8.6
159.08060	4.1
159.11693	15.6
161.09657	7.4
161.13277	7.2
163.11200	20.5
165.09192	5.2
169.10143	4.4
171.10214	3.1
171.11626	4.0
173.09621	4.3
173.11792	3.7
173.13283	5.9
175.11208	6.8
177.12814	5.6
179.14386	2.0
181.12239	3.8
183.11707	2.7
184.07379	4.4
187.11179	3.2
189.11250	18.9
191.10649	5.2
193.12216	3.7
195.13823	2.5
197.13390	2.1
199.11205	1.7
199.14816	2.3
203.31027	2.0
205.12291	3.2
206.26118	1.7
213.12743	2.1
215.24348	1.8
223.13229	11.5
227.12772	26.6
227.17905	3.1
229.14265	3.9
229.19482	2.1
239.18037	3.7
245.13748	3.7
245.19029	6.5
247.20592	3.1
249.14807	4.3
255.15958	7.7
257.19043	8.1
267.15869	3.1
269.17459	23.2
273.18488	36.8
274.18860	2.8
275.20026	35.1
276.20419	2.5
283.15503	3.2
291.19537	74.5
292.19983	4.1
293.21167	3.6
309.20618	8.3
315.22778	1.9
329.21103	2.1
331.22705	2.4
347.22202	12.3
349.23730	31.0
350.23904	2.3
365.23279	39.4
367.24789	4.2
383.24417	12.7
421.17065	1.8
433.29309	2.9
439.26859	2.9
461.28464	1.8
519.33209	9.8
527.33838	3.5
541.34991	7.7
543.36920	3.0
545.34491	8.9
559.36157	31.0
560.36108	2.7
563.35516	3.6
577.37463	8.4
621.41144	6.0
639.42664	23.0
640.42792	3.1
657.43512	13.0
689.39111	2.5
887.64252	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	3.9
67.05506	78.0
68.05850	3.2
69.01872	12.2
69.02292	4.9
69.03436	7.7
69.07069	44.6
71.05017	8.4
73.02888	2.1
73.04855	1.8
77.03919	1.8
79.05495	72.7
81.03417	16.4
81.07059	100.0
83.04977	21.6
83.08620	27.6
83.79466	1.6
85.02915	7.8
85.06567	4.2
91.05485	57.6
91.99758	1.8
93.07047	61.7
95.04976	22.4
95.08605	35.9
97.02892	3.7
97.06521	22.4
97.10175	25.8
98.22615	3.0
99.04449	3.7
99.08077	2.0
103.05500	2.5
105.04517	2.4
105.07032	53.1
107.04959	19.5
107.08598	44.3
109.06525	16.5
109.10172	20.1
111.04446	9.6
111.08081	12.1
115.05430	3.2
117.07030	25.4
119.08585	31.8
121.06533	8.9
121.10138	19.4
123.08079	21.2
123.11723	5.7
125.09630	20.5
127.03940	3.4
128.06233	3.3
129.07005	10.9
130.07770	2.2
131.08572	29.8
133.06485	6.6
133.10141	24.4
135.08038	12.1
135.11682	17.4
137.09610	6.7
139.11087	2.1
141.07011	3.2
143.08560	8.8
145.06465	2.4
145.10123	29.9
147.08109	9.2
147.11662	14.5
149.09581	16.8
149.13255	10.1
151.11206	2.2
153.09122	5.1
153.12769	5.1
155.08525	3.9
157.10115	8.6
159.08060	4.1
159.11693	15.6
161.09657	7.4
161.13277	7.2
163.11200	20.5
165.09192	5.2
169.10143	4.4
171.10214	3.1
171.11626	4.0
173.09621	4.3
173.11792	3.7
173.13283	5.9
175.11208	6.8
177.12814	5.6
179.14386	2.0
181.12239	3.8
183.11707	2.7
184.07379	4.4
187.11179	3.2
189.11250	18.9
191.10649	5.2
193.12216	3.7
195.13823	2.5
197.13390	2.1
199.11205	1.7
199.14816	2.3
203.31027	2.0
205.12291	3.2
206.26118	1.7
213.12743	2.1
215.24348	1.8
223.13229	11.5
227.12772	26.6
227.17905	3.1
229.14265	3.9
229.19482	2.1
239.18037	3.7
245.13748	3.7
245.19029	6.5
247.20592	3.1
249.14807	4.3
255.15958	7.7
257.19043	8.1
267.15869	3.1
269.17459	23.2
273.18488	36.8
274.18860	2.8
275.20026	35.1
276.20419	2.5
283.15503	3.2
291.19537	74.5
292.19983	4.1
293.21167	3.6
309.20618	8.3
315.22778	1.9
329.21103	2.1
331.22705	2.4
347.22202	12.3
349.23730	31.0
350.23904	2.3
365.23279	39.4
367.24789	4.2
383.24417	12.7
421.17065	1.8
433.29309	2.9
439.26859	2.9
461.28464	1.8
519.33209	9.8
527.33838	3.5
541.34991	7.7
543.36920	3.0
545.34491	8.9
559.36157	31.0
560.36108	2.7
563.35516	3.6
577.37463	8.4
621.41144	6.0
639.42664	23.0
640.42792	3.1
657.43512	13.0
689.39111	2.5
887.64252	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	5.5
65.03959	0.5
67.05513	1.7
69.03429	3.4
69.07059	1.1
69.90683	2.1
70.03745	0.5
71.05001	0.6
73.02924	4.7
76.80857	0.5
79.05517	2.6
81.03426	3.8
81.07053	2.6
83.01072	0.6
83.05003	0.6
83.08636	1.1
85.02905	7.8
85.03366	0.7
87.04444	0.5
91.03959	4.9
91.05498	1.7
93.07062	1.3
95.04984	1.1
95.08627	1.1
97.02891	6.9
99.04463	1.7
101.02383	2.2
103.03978	0.5
105.07059	1.2
107.08598	0.9
109.02899	1.2
109.10219	0.8
115.03986	0.9
117.60396	0.5
119.08575	0.7
121.10175	0.8
123.04313	0.6
123.74748	0.5
125.02180	0.6
127.03870	2.8
127.11211	0.8
129.05458	1.6
129.07030	0.8
131.08592	0.6
133.10143	1.0
141.05247	1.0
145.04999	1.5
145.10088	0.7
147.11694	0.9
157.04802	1.1
157.10120	1.1
159.06618	0.6
160.84375	0.5
175.11169	1.4
181.04819	0.9
185.04208	3.6
193.12325	1.6
199.13338	0.6
201.03700	3.3
201.14867	0.8
203.05370	2.1
211.13348	0.9
227.05313	1.0
243.08417	1.6
251.12611	2.1
257.06436	1.3
258.07285	0.5
259.07965	1.3
262.89316	0.5
275.07187	0.9
277.14291	1.7
291.15668	0.9
299.07425	0.9
301.08929	5.1
307.15103	0.8
315.10492	1.2
319.10062	2.1
329.08475	1.8
347.05170	1.0
347.09467	17.2
348.09769	0.6
349.16074	2.3
349.36765	0.5
359.09665	1.7
361.11411	0.7
363.08984	9.2
363.13318	0.6
365.10641	1.6
367.17380	1.7
383.16815	2.3
385.18127	2.7
389.10526	0.7
395.16891	1.3
405.13660	7.8
406.13965	0.9
433.25696	2.1
439.19604	1.4
443.19052	1.0
463.14218	14.9
464.14734	1.4
467.19162	0.6
469.20499	7.3
470.21335	0.6
477.15802	3.7
479.26334	0.9
489.15814	0.9
491.16922	0.7
497.19946	0.7
499.21609	1.3
503.17712	1.6
505.62515	0.6
511.22211	0.8
517.19415	0.7
519.10016	0.5
519.20538	1.2
527.21045	4.5
529.22668	1.9
531.20404	1.2
533.22089	1.8
535.16241	3.5
541.22955	1.4
545.22089	5.3
547.23645	7.7
549.18188	1.4
557.21808	2.5
559.23364	0.8
575.23541	0.6
591.22839	1.5
595.31104	1.1
601.24994	1.0
603.26208	1.0
605.24036	7.5
611.30493	2.3
613.32147	0.8
619.25861	2.0
631.25720	16.7
632.26660	1.5
641.31451	1.5
645.27362	1.2
647.25061	3.8
660.25757	0.5
661.26654	3.1
662.27325	0.8
673.26941	1.8
675.30426	0.7
689.33545	1.8
690.26617	5.8
691.27612	0.6
697.33752	0.6
703.27924	8.1
717.29449	2.8
729.36682	0.9
731.31226	4.1
745.35571	2.9
757.36005	0.6
759.32648	1.0
773.35724	8.5
774.36462	5.2
787.36536	0.9
803.37695	0.8
813.39056	1.4
815.36847	1.4
829.38232	2.0
857.37610	2.8
858.38263	1.4
875.38702	100.0
876.38971	16.3
876.56110	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
61.67243	0.7
65.00371	0.6
67.05517	0.8
69.31276	0.8
71.30280	1.3
81.07039	1.4
85.02864	0.7
91.05511	1.0
96.58033	0.6
98.23154	0.8
131.81378	0.7
163.74756	0.7
184.07391	1.1
191.18126	0.7
691.40387	1.3
707.38922	1.9
877.50751	100.0
878.51123	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	3.6
61.19951	0.7
65.03934	1.2
67.05505	21.2
69.03417	1.3
69.05765	1.9
69.06184	3.8
69.07073	7.0
71.04979	1.3
71.08632	13.0
73.02915	1.4
73.12634	0.6
79.05493	29.0
81.03427	3.0
81.07055	23.1
83.04984	5.1
83.08624	7.5
85.02909	1.9
85.06522	0.9
85.10176	8.0
89.06046	1.0
91.03967	2.5
91.05479	22.6
93.07045	28.2
95.04962	8.3
95.08607	17.0
97.02911	1.8
97.06507	2.4
97.10182	3.2
99.11668	0.5
103.07600	0.9
105.04523	1.0
105.07037	17.4
107.04967	1.9
107.08604	7.3
109.06525	2.1
109.10153	5.3
111.08092	0.6
115.05482	0.7
117.07011	3.6
119.08592	9.5
121.06470	1.6
121.10166	2.4
123.08072	1.9
123.11718	2.0
124.99984	0.7
125.09613	0.5
127.03873	0.8
128.06215	1.3
129.06992	7.3
131.08574	1.0
133.06454	0.6
133.10121	3.7
135.11679	1.2
137.13216	0.8
141.09050	0.9
143.08524	4.4
145.05023	1.2
145.10135	4.0
147.08031	1.3
147.11688	17.5
161.09642	1.7
161.13263	4.6
163.06097	0.8
171.11690	11.4
189.12758	4.7
207.13808	15.4
208.50978	0.6
215.90210	0.7
239.23792	0.7
255.84210	0.8
257.24799	1.2
281.17477	47.8
282.17804	1.9
313.27359	43.0
314.27719	2.3
505.57401	0.6
519.40454	100.0
520.40717	8.7
689.74487	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	9.0
65.03912	0.6
67.05503	9.7
69.03435	2.0
69.07061	5.5
69.19549	2.2
71.01328	1.0
71.04998	2.3
71.08630	14.0
73.02926	2.7
73.11271	0.3
76.17345	0.3
79.05489	9.5
79.41791	0.3
81.03415	6.0
81.07056	14.0
83.00909	0.4
83.01340	5.2
83.04496	0.3
83.04977	5.9
83.08615	9.9
85.02905	12.0
85.06494	1.0
85.10177	8.2
87.04458	0.3
89.05994	0.9
91.03413	0.3
91.03954	6.1
91.05482	6.0
93.07040	11.7
95.04465	0.3
95.04970	3.7
95.08604	12.4
97.02887	5.9
97.06524	2.7
97.10171	3.5
99.04448	2.0
99.11694	0.6
101.02338	0.3
101.64005	0.3
103.07545	0.6
105.04538	0.3
105.06367	0.4
105.07024	4.8
107.04953	4.5
107.08595	6.2
109.02828	0.4
109.06520	3.4
109.09457	0.4
109.10150	5.6
111.04455	1.4
111.08094	1.5
111.11685	0.8
115.03919	0.5
117.07018	3.5
117.09035	0.4
119.08575	4.5
121.06516	1.7
121.10143	4.7
123.04344	0.3
123.08073	5.1
123.11703	2.1
125.05940	1.1
125.09605	0.9
125.13261	0.4
127.02128	0.3
127.03224	0.2
127.03920	2.7
129.06979	0.9
130.07735	0.9
131.08571	1.4
133.10078	1.3
135.08031	1.1
135.11694	6.7
136.12007	0.3
137.09560	0.8
137.13194	0.8
139.07579	0.3
139.11151	0.3
144.06557	0.4
145.03973	0.4
145.04924	3.1
145.06393	0.5
145.09012	0.4
145.10124	8.6
147.08017	1.1
148.57884	0.3
149.09628	0.5
151.11139	0.4
151.14780	0.3
153.12724	1.9
155.08527	0.8
163.06023	3.8
163.11179	14.4
164.11494	0.4
173.09621	2.5
181.12227	2.0
184.07324	0.3
191.10756	1.5
209.11697	4.8
227.12766	3.2
239.23703	1.2
257.24667	1.3
283.15390	100.0
284.15701	4.2
313.27344	71.3
314.27634	4.0
521.38361	50.8
522.38806	4.2
610.74744	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.2
65.03918	1.3
67.05506	12.3
69.03401	1.3
69.07064	7.9
71.04965	1.4
71.08631	14.0
73.02885	1.7
79.05489	15.1
81.03387	1.7
81.07056	17.4
83.04993	2.8
83.08620	9.5
85.02895	3.5
85.06517	0.8
85.10181	9.8
85.22372	0.5
89.05990	1.1
90.72439	0.5
91.03916	2.1
91.05473	4.9
93.07040	21.9
95.04964	4.1
95.08602	31.2
97.02892	3.8
97.06532	2.8
97.10165	3.4
99.04454	2.8
103.05424	0.6
103.07563	0.9
105.07025	4.3
107.04981	4.9
107.08591	16.1
109.06453	1.6
109.10154	6.1
111.04483	0.6
111.08064	0.9
111.11670	0.8
117.07022	4.6
117.09107	0.6
119.08575	5.3
121.06504	3.9
121.10124	8.2
123.11677	1.2
125.05939	2.2
127.03913	1.2
129.06964	0.7
130.07738	1.0
133.10068	1.7
135.07986	1.8
135.11685	29.5
136.11998	1.2
137.13217	0.7
139.07491	1.4
145.04906	1.0
145.09018	1.0
145.10120	19.3
153.12729	1.0
163.05984	0.9
163.11177	38.7
164.11507	0.9
173.09724	0.7
181.12231	7.2
184.07407	0.6
209.11670	0.8
210.78593	0.6
227.12766	46.0
228.13159	2.8
229.14851	0.6
238.12286	0.6
239.23666	0.7
257.24713	1.7
283.15390	95.7
284.15726	4.6
313.27338	93.4
314.27667	5.0
521.38361	100.0
522.38678	10.9
821.29932	0.6
853.97937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
63.76926	1.3
67.05518	1.7
68.99791	7.5
69.47160	7.2
86.43836	1.3
89.03921	1.4
93.03386	1.5
94.74802	1.4
95.04971	2.1
105.03405	2.2
107.04996	2.3
109.02872	1.9
111.00800	2.2
111.04452	5.3
115.05425	1.9
117.03281	1.6
119.04958	2.1
121.02853	1.9
123.03536	2.8
123.04436	51.9
127.03918	12.0
133.02844	1.8
135.04404	15.1
137.02312	2.2
139.03902	100.0
140.04251	2.1
141.06967	2.1
143.03397	1.4
145.06465	1.6
146.06180	1.4
147.04413	13.0
149.02351	2.1
149.05963	2.5
151.03902	18.7
153.01778	2.0
155.04935	1.9
157.06584	1.5
159.04416	2.5
161.02357	2.9
161.05962	4.2
163.03902	21.4
165.05467	4.0
171.04466	2.2
173.06001	3.2
175.03912	7.0
177.05481	5.8
179.03401	19.4
183.04437	3.3
185.05963	2.3
187.03931	4.1
189.05493	6.2
191.03421	4.1
193.01408	2.5
193.04979	2.0
195.02901	2.6
197.05988	3.4
199.03867	3.2
199.15451	1.3
200.04453	1.4
201.05458	7.0
203.03395	11.5
205.05028	1.8
211.03851	2.1
213.05412	7.7
215.03354	4.9
215.07054	1.8
217.05037	3.1
219.02876	4.2
225.05481	1.7
227.03308	2.3
229.04932	9.3
231.02907	7.2
231.06516	3.6
233.04355	1.7
237.05434	2.8
239.07021	1.7
241.04933	6.2
243.02873	3.4
243.06581	2.2
244.03658	2.4
245.04437	26.7
246.04768	3.8
247.06050	6.0
251.07135	1.4
253.04922	6.6
255.02928	1.7
255.06390	3.0
257.04419	15.5
259.02252	2.6
259.05936	7.8
261.03836	8.7
262.04568	1.5
265.04990	3.3
267.02686	1.4
267.06549	2.7
269.04419	6.0
271.06033	9.2
273.03842	2.3
275.05408	7.3
279.06454	1.9
281.04474	5.9
282.05188	2.1
283.06049	7.6
285.03940	9.1
287.05444	15.9
289.03503	2.4
289.07144	2.4
291.08627	4.4
293.04544	2.3
295.06009	5.9
297.03796	2.9
299.05450	18.3
301.03793	1.9
301.07117	5.3
303.05005	2.4
307.05933	2.5
309.04016	9.6
311.05521	4.8
315.05344	1.5
317.06555	13.0
319.05917	3.0
321.07892	1.5
323.05478	2.9
327.04929	4.0
331.05881	4.5
333.07675	2.5
335.05435	2.4
337.07019	2.3
339.05093	1.6
345.07510	2.1
347.05426	2.3
349.07080	5.1
351.04938	4.5
359.05542	3.0
361.06998	8.2
363.04855	2.3
365.06488	5.9
369.06094	1.6
375.05084	2.9
376.05487	1.9
377.06561	9.3
378.07086	1.7
379.04547	5.6
383.07425	3.8
389.06436	3.6
391.08173	1.9
393.06055	9.4
395.07788	7.1
397.05591	1.6
405.06107	6.1
406.06311	1.9
407.07498	5.8
409.04922	2.5
409.09561	2.4
411.06955	4.4
413.08469	6.7
417.05893	2.1
419.08005	2.0
421.05548	9.3
423.07138	18.5
425.09036	3.4
427.06143	2.0
433.05237	2.4
435.06985	5.2
437.09134	2.4
439.06668	3.4
447.07040	4.1
451.06296	3.8
465.07809	1.7
501.08228	2.0
525.07788	4.0
531.09064	4.8
541.07751	5.1
543.09344	21.1
545.10974	2.3
549.10254	21.9
550.10516	1.8
550.20544	1.6
555.09198	6.3
559.08624	12.3
561.10114	3.3
571.08325	2.1
573.10236	8.8
585.10535	1.8
591.10754	2.1
693.12207	6.8
695.13550	5.8
711.13654	6.5
713.14471	2.5
785.73962	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.541
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.2
67.05504	15.3
69.03428	2.7
69.07066	6.8
71.04990	2.1
71.08235	0.9
71.08629	16.6
71.30680	0.6
73.02916	2.8
77.30448	0.5
79.05494	10.2
81.03418	27.7
81.06578	1.2
81.07056	21.3
83.04975	6.5
83.08614	12.5
85.02903	18.9
85.03420	0.5
85.06552	1.0
85.10182	9.9
87.04481	0.9
89.06030	1.1
91.03954	4.5
91.05482	14.7
93.07036	7.4
95.04968	10.0
95.08604	15.3
97.02875	4.5
97.06519	2.1
97.10153	5.6
99.04461	0.7
99.08095	0.7
99.11745	0.6
103.07568	1.3
105.07027	10.2
106.07372	0.6
107.04957	2.6
107.08608	3.4
109.02830	0.6
109.06520	2.1
109.10156	7.3
111.04424	1.3
111.08083	4.0
113.06039	1.3
117.07014	0.7
119.08573	8.2
121.06511	1.0
121.10136	4.0
122.30583	0.5
123.08047	0.9
123.11707	2.8
125.09675	0.9
127.03902	1.7
127.07531	0.6
128.35419	0.6
129.07011	5.5
131.08563	6.4
133.06488	1.1
133.10138	5.2
137.09703	0.6
137.13306	0.7
142.07822	0.8
145.04970	1.9
145.10207	0.9
147.08049	1.5
147.11705	6.9
149.09613	2.7
151.14804	0.5
157.10127	7.0
163.06029	1.8
165.12769	1.9
169.20174	0.6
175.11189	6.2
184.07381	0.7
193.12230	16.7
194.12686	1.0
211.13286	26.6
212.13715	1.4
220.12866	0.5
232.15775	0.5
239.23732	1.8
257.24774	1.2
267.15894	12.8
268.16241	0.8
285.16959	34.4
286.17380	2.1
313.27347	65.9
314.27765	3.5
368.41696	0.6
400.15903	0.6
424.57547	0.6
505.38815	16.8
506.39261	2.2
523.39935	100.0
524.40204	10.4
601.56134	0.6
667.43933	0.7
756.54492	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.542
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	1.4
67.05511	19.2
69.03428	4.1
69.06727	1.3
69.07072	7.7
69.09809	8.8
71.04975	3.2
71.08637	19.3
71.18844	1.1
73.02904	4.0
79.05494	16.8
81.03417	40.0
81.07059	28.9
83.04972	9.6
83.08620	20.0
85.02428	1.9
85.02909	28.1
85.06525	1.7
85.10188	12.4
87.04499	2.4
91.03976	8.8
91.05481	18.2
93.07048	9.9
95.04971	13.9
95.08603	20.7
97.02886	8.2
97.06532	4.5
97.10151	6.1
99.04450	1.2
105.07029	15.1
107.04934	3.8
107.08586	5.3
109.06533	3.2
109.10159	7.9
111.04459	1.9
111.08070	6.5
111.38610	1.1
117.07030	2.0
119.08601	13.5
121.10132	6.4
123.08074	2.0
123.11713	3.7
127.03939	3.0
129.06995	9.1
129.10013	1.0
131.08595	8.2
133.06485	1.9
133.10141	9.8
137.09569	1.3
142.07774	1.8
145.04979	2.7
145.10187	1.5
147.08073	2.5
147.11670	11.0
149.09637	3.9
157.10126	7.0
163.06010	2.6
165.12758	2.7
175.11232	11.0
193.10538	2.4
193.12239	32.2
211.13301	49.4
212.13608	1.7
257.24872	1.8
267.15884	17.0
285.16974	66.6
286.17349	3.6
313.27368	69.0
314.27707	5.0
351.03772	1.1
437.01422	1.3
459.71341	1.5
468.23740	1.2
505.38947	12.3
506.39072	1.4
523.39960	100.0
524.40295	9.3
638.53082	1.2
803.01855	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77638	0.6
65.03937	1.5
67.05491	1.1
68.99790	6.9
81.03403	2.2
83.04963	1.0
85.02911	0.7
89.03917	0.9
91.05476	0.8
93.03410	1.0
95.04961	1.3
97.02888	0.7
105.03381	0.8
107.04965	2.2
109.02888	4.6
110.97440	0.5
111.00804	7.2
111.04453	2.0
115.05434	0.6
117.03323	0.7
119.04939	2.1
121.02876	1.0
123.04433	28.1
124.04780	0.9
125.02360	0.7
127.03921	45.4
128.04227	1.1
129.07021	0.5
131.04915	1.4
133.02844	1.9
135.04419	21.8
137.02357	2.1
139.03902	51.6
140.04218	1.0
143.04935	0.7
145.06464	0.9
147.04393	6.3
149.02383	4.0
149.06000	0.9
149.98650	0.5
151.03911	21.5
153.05368	0.8
155.03377	5.9
155.04767	1.1
157.06503	0.8
159.04434	1.7
161.02321	1.6
161.06000	2.7
163.03911	27.4
164.04283	1.2
165.05479	3.0
167.03426	2.1
169.04980	1.3
171.04414	1.7
173.05963	1.8
175.03893	6.8
176.04581	0.6
177.01852	0.6
177.05478	4.8
179.03392	20.4
179.06894	0.6
181.05005	0.8
183.04361	0.9
185.05957	1.9
187.03885	4.0
189.01855	0.6
189.05446	4.6
190.05988	0.6
191.03391	8.7
193.04976	2.2
197.05983	1.9
199.03891	2.4
201.05479	3.7
203.03387	15.1
203.06947	0.7
205.04961	1.6
211.03853	0.9
213.05466	4.1
215.03448	2.9
215.07022	1.3
217.04922	4.4
218.05330	0.7
219.02921	0.7
223.02371	2.2
227.03413	1.0
229.04939	7.1
231.06522	1.7
233.04469	3.4
241.05031	3.4
243.02965	1.2
243.06538	1.5
244.03661	1.4
245.04453	100.0
246.04736	4.4
247.06015	16.1
248.06371	0.9
253.04912	1.3
255.06456	1.9
257.04468	11.5
258.05099	0.8
259.05981	8.8
261.07553	0.5
263.05487	19.4
264.05789	0.8
265.05072	0.7
267.06485	0.9
269.04440	4.7
271.06003	7.2
273.04135	0.6
273.07492	1.0
274.04733	3.8
275.05505	18.6
276.05865	0.9
277.07101	2.5
279.06473	0.7
281.04462	2.1
283.05923	4.4
285.03937	2.2
285.07251	0.8
286.04611	1.0
287.05481	30.4
287.93329	0.5
288.05899	1.6
289.07065	10.4
291.08636	6.8
295.05994	1.3
297.03986	1.6
297.07367	0.6
299.05530	5.0
301.07010	7.8
302.07516	0.6
303.04971	1.6
303.08673	1.2
305.06525	9.0
307.06073	0.6
309.03854	1.7
311.05670	1.3
313.06854	0.9
317.06641	1.8
319.05826	0.7
321.04123	0.7
323.05518	1.9
329.06491	0.7
331.08261	1.4
333.07626	0.8
345.07288	0.8
351.04941	1.8
361.07050	1.5
365.06424	1.4
377.06439	1.2
379.08127	2.1
383.07635	1.9
389.06494	2.6
391.07980	1.1
393.06015	3.8
395.07657	0.7
397.09155	1.1
399.07251	0.8
405.06049	2.2
407.07599	29.0
408.08060	2.2
409.09195	10.0
410.09784	1.1
411.10492	0.8
413.08755	4.0
417.05804	0.9
419.07590	3.2
421.09085	1.3
423.06992	2.5
425.08630	9.1
426.08441	0.8
427.10342	9.2
431.07645	1.6
433.14014	0.6
435.06451	1.0
435.82150	0.6
437.08777	4.0
439.10178	0.8
441.08072	0.8
443.09750	1.5
449.08554	3.5
453.07397	0.7
467.09357	0.9
527.09753	1.1
533.09888	0.8
545.10889	3.2
551.12146	2.5
557.10852	1.7
561.10028	1.1
575.11517	1.0
579.14935	0.9
593.12860	1.0
713.14722	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	1.7
67.05485	1.1
68.99783	8.0
69.43243	2.6
69.43650	1.7
79.05463	1.0
81.03400	2.2
83.39158	0.9
89.03899	1.9
91.05460	0.8
93.03408	3.8
93.03884	0.6
95.04956	2.2
103.05424	1.1
105.03379	1.1
105.04501	0.7
106.20311	0.6
107.04952	3.5
109.02879	3.6
111.00809	9.5
111.04437	7.9
115.05461	0.8
117.03384	1.2
119.04919	1.4
121.02817	2.0
123.04426	47.1
124.04761	1.6
127.03909	48.4
128.04224	1.1
129.06952	1.0
131.04933	1.5
133.02882	1.5
135.04408	29.1
137.02356	2.9
137.06015	1.4
139.03891	52.8
140.04256	1.6
145.02811	1.3
145.06487	1.5
147.04398	9.4
149.02325	7.5
149.05928	1.1
150.03111	1.0
151.03889	29.7
153.01871	0.9
155.03371	1.2
155.04897	1.4
157.02870	0.6
157.06470	1.4
159.04361	1.9
161.02234	0.7
161.05968	2.8
163.03899	21.8
164.04208	0.9
165.01816	1.2
165.05498	4.5
167.03387	1.9
169.04947	1.7
169.06441	1.1
171.04402	1.2
173.05956	3.3
175.03911	6.6
177.01805	1.0
177.05466	7.8
179.03387	31.9
181.04897	1.0
183.04353	1.1
185.05948	1.8
187.03847	3.1
189.01883	0.7
189.05460	3.9
191.03386	11.7
191.07014	1.0
193.05013	1.9
197.05960	2.7
199.03928	1.8
201.05437	7.9
203.03387	19.0
203.06935	0.8
205.04912	2.0
211.03943	1.4
213.05415	3.6
215.03358	2.6
215.06931	1.7
217.04950	3.9
219.06520	1.8
221.04527	1.3
223.02367	3.0
225.05447	2.2
227.03406	1.0
229.04964	11.2
231.06398	4.5
233.04428	5.5
239.03436	0.8
241.04918	2.4
243.06483	2.4
245.04436	100.0
246.04816	4.0
247.05997	41.1
248.06422	1.5
251.05379	0.7
253.04941	2.5
257.04443	18.8
258.04971	0.9
259.05939	4.9
261.04584	0.7
261.07578	2.0
263.05518	6.6
265.04843	0.9
269.04416	4.6
271.05981	10.0
272.06323	0.8
274.04703	1.0
275.05472	28.8
276.05734	1.5
281.04459	2.1
283.05942	2.1
285.03995	1.2
285.07199	1.2
287.05472	30.1
287.08649	1.5
288.05765	1.9
289.06964	10.2
291.08609	8.8
293.04263	0.8
295.05975	1.2
297.03967	1.7
299.05490	9.9
305.06616	8.0
306.06796	0.8
309.03915	1.4
311.05502	1.5
313.06931	1.1
317.06476	10.0
319.05927	0.9
321.04092	1.1
321.07648	2.2
323.05634	0.8
329.06549	1.5
335.05450	0.8
339.05066	0.9
347.07520	1.3
349.07114	1.6
351.04980	2.6
377.06494	1.4
381.05655	1.2
393.06003	3.2
395.07687	1.0
397.09125	7.3
399.07178	1.0
402.08478	0.8
405.06067	7.2
406.06509	0.8
407.07678	3.5
409.09164	5.5
411.06720	1.0
419.07547	0.9
421.09348	0.9
423.07056	15.1
424.07318	1.6
425.08569	8.2
427.10156	3.6
428.10596	0.8
433.09229	0.9
435.07062	2.3
437.08566	1.9
441.08127	5.1
443.09641	9.5
449.08820	1.3
451.10281	1.2
453.07980	6.4
455.09598	1.1
465.08093	1.0
530.05573	0.7
545.10376	2.6
557.10815	1.1
581.15295	0.9
595.14105	2.2
697.14728	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	2.3
67.01898	1.2
67.05497	1.5
68.99792	13.1
77.03941	1.2
81.03410	4.8
83.04981	1.0
85.02900	1.8
89.03923	1.7
93.03406	1.3
95.04961	1.7
98.22610	1.9
99.04459	1.8
103.05497	1.0
105.03387	2.1
105.04600	0.9
107.04929	4.4
109.02873	5.7
111.00796	10.9
111.04430	6.9
112.23425	0.8
115.05486	1.6
119.04961	2.2
121.02866	2.6
123.04431	48.0
124.04767	1.1
127.03914	100.0
128.04305	1.9
129.06985	1.0
131.04947	3.0
133.02870	2.4
133.06487	1.2
135.04417	39.4
137.02359	3.7
137.05972	0.9
139.03899	75.7
140.04196	1.3
141.06995	1.6
143.04919	1.9
145.02853	1.2
145.06505	1.8
146.01431	0.7
147.04404	10.0
149.02354	6.3
149.06035	2.1
150.03133	1.1
151.03899	32.7
151.05078	1.6
153.01790	1.7
153.05513	1.3
155.03392	3.7
155.04965	3.2
157.06503	0.9
159.04425	5.0
161.05998	4.2
163.03900	39.0
164.04245	1.5
165.05498	4.1
167.03421	4.9
169.04955	3.2
169.06505	2.0
171.04427	1.3
173.05960	6.5
175.03896	8.5
177.01842	1.8
177.05460	8.8
179.03392	32.7
181.04944	2.1
183.04491	3.0
185.05962	2.6
187.03830	5.5
187.07581	1.2
189.01842	0.9
189.05513	3.3
191.03378	9.9
193.04990	2.0
197.05995	3.9
199.03954	2.8
201.05455	11.9
203.03397	22.2
203.07071	1.4
204.03810	1.0
205.04977	2.7
207.06602	1.4
211.03925	2.2
213.05505	5.2
215.03470	2.7
215.07011	2.3
217.05006	6.0
219.03043	1.1
219.06531	2.3
221.04373	1.3
223.02356	2.7
225.05530	2.6
227.03378	1.7
229.04967	14.8
230.05544	0.9
231.06432	4.0
233.04512	4.3
241.05009	3.6
243.06551	4.0
245.04451	51.9
246.04738	2.0
247.06015	82.4
248.06354	3.5
253.05069	3.6
254.29999	1.0
255.02771	1.3
255.06573	2.0
257.04462	20.6
258.05121	3.6
259.05978	4.5
261.07642	2.6
263.05457	12.4
264.05896	1.5
266.05643	1.0
267.06393	0.9
269.04449	7.3
270.05014	0.9
271.06012	21.3
273.04028	0.8
275.05475	25.3
276.05893	1.0
277.06989	1.2
281.04486	3.5
283.06061	3.5
285.03995	1.3
287.05493	44.6
288.05817	3.4
289.07101	12.5
291.08679	18.2
292.08942	1.5
293.04352	1.7
295.05969	2.9
297.03998	3.6
299.05527	18.6
300.06152	1.1
301.07117	1.8
303.08627	2.5
305.06543	13.1
307.06070	1.6
309.03949	1.3
311.05487	3.3
313.07059	1.3
317.06543	20.4
318.06894	1.2
321.03915	1.0
321.07663	1.5
323.05423	2.5
325.07208	1.1
329.06848	1.4
335.05612	1.2
339.04987	1.8
349.06955	2.0
351.05206	4.2
361.07318	0.9
363.04950	1.0
377.06506	2.0
377.62540	0.9
379.08170	1.7
381.06110	2.5
389.06396	1.1
391.08411	1.4
393.05945	7.3
395.07663	2.3
397.09189	5.1
399.07126	3.1
401.06311	1.0
405.06061	6.7
406.06430	1.0
407.07617	5.6
409.09055	9.2
411.07193	2.3
415.10925	1.1
419.07675	4.5
421.09351	1.3
423.07068	9.0
424.07440	1.0
425.08673	19.0
427.10263	6.4
435.06915	1.8
437.08765	4.3
441.08072	4.6
443.09741	13.7
444.09967	1.6
449.08820	3.3
451.10486	3.2
453.07932	2.1
455.09753	2.3
469.11411	2.2
527.09363	2.9
533.10529	5.2
545.10559	6.6
553.80585	1.0
561.10199	3.7
571.12274	1.1
575.10907	1.1
579.11945	1.0
589.13257	1.8
595.14203	3.7
628.97681	1.0
679.14026	1.0
697.15485	1.2
715.16785	1.3
731.15540	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	2.2
65.56649	0.7
67.01862	0.7
67.05488	1.1
68.99786	9.5
69.38408	4.2
73.22191	0.6
79.05505	1.0
79.17339	0.6
81.03404	2.8
83.03175	0.6
83.04980	1.6
85.02901	1.3
89.03870	1.6
91.05457	1.6
91.23483	0.6
93.03402	1.5
95.04955	1.8
97.25748	0.6
98.22525	0.6
99.04462	1.0
103.05470	1.2
105.03377	1.5
107.04954	3.1
109.02866	4.7
111.00802	10.2
111.04462	5.0
115.05434	0.7
117.03330	0.7
119.04936	2.5
121.02837	2.3
123.04430	40.2
124.04722	1.5
127.03913	66.9
128.04265	1.8
131.04915	1.5
133.02864	1.9
135.04408	35.9
137.02336	3.2
137.05974	1.6
139.03897	69.8
140.04230	2.8
141.06952	0.9
143.04883	1.0
145.02869	0.9
145.06471	1.2
147.04391	9.5
149.02341	5.4
149.05959	1.6
151.02678	1.4
151.03905	25.3
153.01782	1.4
153.05569	0.8
155.03369	3.6
155.04665	0.7
155.80495	0.7
157.06442	1.1
159.04419	2.0
161.02310	1.0
161.06001	4.2
163.03905	46.7
164.04262	1.1
165.01740	0.8
165.05481	4.6
167.03427	3.0
169.04930	3.6
169.06358	1.4
171.04436	2.3
173.06004	2.0
175.03912	8.8
177.05472	8.1
179.03391	28.2
180.03804	0.8
181.04919	2.3
183.04433	1.5
185.05986	1.4
187.03877	4.6
189.05489	4.9
191.03372	9.6
191.07066	0.9
193.04944	2.6
197.05995	2.7
199.03949	2.9
201.05496	6.3
201.81923	0.6
203.03394	18.7
203.07097	1.2
204.03636	0.8
205.04951	2.6
207.06502	0.8
209.06053	1.0
213.05444	6.4
215.03430	5.4
215.07077	1.8
217.05011	6.4
219.06520	1.6
221.04350	1.5
223.02338	2.6
225.05409	1.7
227.03371	1.6
227.07014	0.8
229.04970	11.0
230.05392	1.1
231.06516	2.4
233.04451	3.6
237.05449	1.3
239.07021	0.9
241.04955	4.1
242.05487	0.8
243.02921	2.1
243.06514	2.8
245.04449	100.0
246.04810	4.2
247.05991	17.9
247.50932	0.7
248.06345	1.8
251.05515	0.9
253.04968	3.1
255.06483	2.0
257.04446	17.8
258.05057	2.3
259.06000	9.3
261.03888	3.3
261.07520	1.4
263.02716	1.4
263.05505	24.5
265.04947	1.9
267.06531	1.0
269.04480	6.3
271.05969	12.2
272.06433	0.9
273.03955	1.3
273.07498	0.8
274.04755	4.2
275.05484	27.0
276.05719	1.1
277.07074	1.2
279.06503	1.0
281.04419	3.4
283.05969	10.1
284.06339	0.8
285.03897	3.2
285.07251	1.5
286.04535	2.0
287.05466	41.8
288.05792	2.4
289.04019	1.2
289.07065	16.7
290.07281	0.9
291.08646	9.2
292.09100	0.7
295.06003	2.8
297.03857	2.2
297.07394	1.4
299.05484	8.8
300.05960	1.1
301.07031	10.2
303.04977	1.3
303.08694	0.7
305.06592	9.5
307.05902	1.0
309.03918	2.5
311.05444	2.8
313.07104	1.3
313.51501	0.7
317.06622	2.7
319.06140	1.1
323.05487	2.0
325.07181	0.8
327.04904	1.0
329.06580	2.0
333.07346	1.5
339.05432	0.7
341.06406	0.8
345.07620	0.9
351.04874	1.9
361.07150	3.4
365.06375	1.1
377.06540	1.3
379.08176	3.5
383.07593	2.8
389.06470	2.3
391.08252	1.5
393.05954	3.9
395.07523	1.4
397.09048	1.8
401.06516	0.9
405.05945	4.3
407.07587	30.3
408.07800	2.4
409.09180	13.7
410.61771	0.7
411.10980	1.6
412.08118	0.8
413.08768	5.0
417.05838	0.8
419.07620	6.4
420.08157	0.8
421.09341	1.8
423.07101	3.2
425.08655	11.5
427.10187	8.5
428.10806	0.9
431.07690	1.5
433.09216	1.1
435.06766	2.0
437.08694	7.4
439.10263	1.3
440.65735	0.7
441.08411	0.9
443.09418	1.8
449.08682	7.3
451.09998	2.1
455.09973	0.8
467.09564	2.1
479.98383	0.7
527.09973	1.6
533.10858	1.2
543.09113	1.7
545.10608	3.5
557.10785	3.4
561.10229	1.4
569.09827	0.9
575.11780	3.1
579.14758	2.3
587.11572	2.6
593.12793	1.2
677.11151	0.7
695.13245	1.4
713.14471	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	1.9
69.03422	2.4
69.07062	0.7
69.51995	0.3
71.01353	0.4
71.04990	0.5
71.08633	1.6
73.02919	2.9
79.05495	2.3
80.86412	0.3
81.03410	1.7
81.07047	1.9
83.05022	0.8
83.08636	0.9
85.02903	4.3
85.10190	0.5
91.03957	2.7
91.05463	1.8
93.07057	1.2
95.04985	0.7
95.08617	1.5
97.02888	3.9
97.10165	0.4
98.23337	0.7
99.04455	0.6
101.02378	1.6
103.31689	0.3
105.07025	1.5
107.08646	0.3
109.02910	0.5
115.03910	0.4
117.07050	0.6
119.08642	0.9
127.03928	1.5
129.09999	0.3
142.23698	0.3
143.08626	0.3
145.05031	0.4
145.10204	0.4
147.11754	1.1
155.06027	0.3
160.11180	0.3
171.11711	0.5
185.04224	0.4
200.06950	0.3
203.05357	0.7
213.83337	0.3
225.19533	0.3
230.68956	0.3
243.08371	1.8
245.04216	0.3
247.13062	0.6
258.09039	0.6
303.15793	0.6
313.27490	0.5
347.09579	1.5
363.08881	0.5
365.10452	0.5
405.13660	4.0
437.22079	0.3
465.20932	5.7
465.27179	0.4
466.21033	0.6
493.42038	0.3
497.30933	3.0
602.45996	0.3
627.26184	6.1
628.26416	0.4
659.36072	3.3
721.44550	1.6
866.70514	0.4
883.50195	100.0
884.50366	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	0.8
67.05175	1.1
67.05502	13.7
69.03437	2.9
69.07060	3.6
71.01334	0.8
71.04988	2.2
73.02933	0.9
79.05489	15.1
81.03415	33.5
81.07054	12.6
83.01347	2.6
83.04978	6.7
83.08616	10.7
85.02901	5.0
85.06512	0.7
91.03955	1.9
91.05483	12.5
91.06008	1.0
93.07041	11.6
95.04968	12.1
95.08604	4.8
97.02885	3.0
97.06527	2.7
97.10162	5.1
98.06720	0.7
99.02575	0.6
99.04401	0.8
105.07026	8.5
107.04955	8.0
107.08586	7.3
109.02874	1.7
109.06493	3.9
109.10142	3.2
111.04450	2.8
111.08078	3.4
115.05472	0.9
117.07047	4.7
119.04942	0.7
119.08569	8.0
121.06529	3.7
121.10138	4.9
123.04453	1.1
123.08048	4.5
125.05956	1.1
125.09637	4.4
127.03915	1.0
128.06281	0.7
129.06995	5.1
131.04945	0.8
131.08553	5.6
133.06491	2.7
133.10086	2.9
135.04326	0.7
135.08040	1.8
135.11693	3.6
137.06001	0.7
137.09622	1.4
139.03903	0.7
142.07848	0.7
143.08528	1.4
145.04898	0.8
145.06517	1.9
145.10106	6.1
147.04424	1.0
147.08017	2.9
147.11673	4.3
149.06000	0.8
149.09612	3.6
153.12772	1.7
155.08549	1.4
157.06422	1.0
157.10092	4.1
159.11742	0.7
160.05228	0.6
161.05974	3.3
161.09644	1.2
163.06076	1.1
163.11171	9.4
165.12720	0.8
167.08469	0.7
171.07979	0.9
171.11795	0.6
173.06027	0.7
173.09642	3.2
173.11798	1.0
175.07587	0.7
175.11177	4.4
181.12260	2.0
183.11810	0.6
185.13290	0.7
187.11208	0.8
189.09128	1.2
189.11203	1.9
189.12718	0.7
191.10735	2.2
193.12231	8.9
195.11861	0.7
197.09438	0.7
199.11223	0.7
205.12193	0.8
209.11731	2.3
211.11230	1.3
211.13205	1.3
213.12798	1.3
218.06731	0.6
225.12773	0.9
227.12793	1.9
229.12247	1.4
231.13937	0.9
235.11081	0.8
243.13811	1.1
249.14864	1.0
255.13602	0.8
265.14337	0.7
267.15912	16.7
268.16275	0.9
269.15378	0.8
271.13351	1.3
273.14905	2.0
281.17389	0.8
283.15378	16.3
284.15814	0.8
285.17099	1.0
289.14276	2.8
301.14285	1.4
303.15744	0.7
337.21750	0.7
355.22665	2.4
365.21078	2.5
383.22180	16.1
384.22531	1.1
401.23184	7.2
419.24332	1.7
431.24240	1.1
439.24640	1.8
443.05292	0.7
457.25809	23.3
458.26248	2.0
460.96301	0.6
474.17471	0.7
475.26886	100.0
476.27328	8.8
493.27954	12.1
499.27063	1.1
507.29691	1.2
508.94571	0.6
517.27783	2.7
541.27972	1.1
583.28918	1.0
601.30133	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03875	1.2
65.26110	0.6
67.05409	48.0
67.06002	1.6
69.03333	1.9
69.06971	7.2
69.07379	0.9
71.04894	16.4
71.05325	2.1
71.08532	16.2
71.08963	2.2
73.02824	1.7
79.05381	5.3
81.03364	1.0
81.06951	17.7
81.07458	1.6
81.07753	0.7
83.04871	2.4
83.08511	9.9
83.09048	1.2
84.32289	0.5
85.02794	8.6
85.06435	2.1
85.10069	11.1
91.03843	4.7
91.05370	8.1
93.06934	8.7
95.04905	1.1
95.08491	20.3
95.09146	1.5
97.02781	5.3
97.06412	2.0
97.10164	3.9
99.04371	0.7
99.08022	0.5
101.94546	0.5
105.06944	1.2
107.08577	3.9
109.06426	0.6
109.10152	55.8
109.10848	3.1
109.11175	1.7
110.10409	1.3
111.04343	0.5
111.07951	2.1
111.11625	0.9
117.06890	1.5
118.41047	0.5
119.08585	8.6
119.09357	0.5
121.10151	2.4
123.11688	3.6
125.09511	0.9
125.13135	0.9
127.03764	2.2
129.06915	0.5
133.10051	0.8
135.11688	6.3
137.09621	8.2
137.13136	0.9
142.54501	0.5
145.04941	2.5
145.10083	2.8
147.14799	0.5
155.10526	2.0
163.05988	2.9
163.11174	2.8
165.12704	0.5
167.62869	0.5
169.12151	1.1
173.11728	7.6
181.12102	1.9
227.93837	0.6
229.14249	0.9
239.23766	2.5
243.15790	1.5
255.15947	5.3
257.24625	0.5
276.97101	0.5
287.15350	1.1
287.18503	17.7
288.18817	0.8
307.16681	0.7
309.96365	0.6
313.23834	1.0
313.27353	18.6
314.27618	1.3
341.27045	0.7
364.92035	0.5
429.24411	0.7
431.22116	1.0
447.25418	0.8
467.37292	85.7
468.37589	5.4
471.30740	0.5
475.24768	0.7
481.38983	3.9
493.38947	5.7
525.41504	100.0
526.41760	10.2
538.19464	0.5
538.27771	0.6
885.48962	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
65.24885	0.2
67.05508	1.7
69.03432	3.7
69.07069	7.0
70.07404	0.9
71.01371	0.5
71.05003	0.8
71.08626	1.6
71.31239	0.2
73.02917	3.4
79.05491	1.0
81.03416	2.2
81.07047	1.8
83.01350	0.4
83.05006	0.8
83.08619	1.3
85.02906	6.1
85.10197	0.9
87.04464	0.4
87.08097	1.1
91.03955	3.8
91.05503	0.9
91.61738	0.2
93.07049	1.3
95.04990	0.5
95.08624	1.7
97.02892	6.2
97.06537	0.4
97.10182	0.2
99.04456	1.2
101.02386	1.7
103.03942	0.3
105.07052	0.5
107.04980	0.3
107.08617	0.6
109.02875	1.0
109.06559	0.4
109.10138	1.1
111.04449	1.3
115.03957	0.5
117.05522	0.3
119.08641	0.8
121.10184	0.4
123.08126	0.4
123.11756	0.4
127.03939	1.7
129.05553	0.5
131.08569	0.2
133.10188	0.3
135.11716	0.7
145.05000	0.5
145.10182	0.7
147.06543	0.4
163.11157	1.2
173.15355	1.6
174.15726	0.3
185.04268	0.9
203.05376	0.8
209.11743	0.3
215.41508	0.2
229.14326	1.2
230.14751	0.5
243.08395	1.9
249.10896	0.5
283.15521	0.5
285.16135	0.2
305.08234	0.2
305.13678	0.3
313.27170	1.0
335.26144	0.2
344.21521	0.3
347.09439	2.0
363.09143	0.6
365.10815	0.9
405.13708	5.1
406.14383	0.2
467.18881	7.6
468.19278	0.6
490.27478	0.3
497.30817	4.2
498.31393	0.6
526.41577	0.4
561.38757	0.2
604.33850	0.3
629.24121	7.0
630.25269	0.6
659.36145	4.0
660.36121	0.6
674.13452	0.3
723.42780	1.8
724.42651	0.3
885.48108	100.0
886.48401	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
66.42504	0.2
67.05511	1.4
67.61913	0.2
68.74772	0.2
69.03428	3.3
69.07075	0.8
71.01366	0.5
71.05013	0.3
71.08623	1.4
73.02922	3.3
78.34427	0.2
79.05497	1.3
81.03434	1.0
81.07056	1.9
83.05018	0.6
83.08646	0.7
85.02906	4.8
85.10192	0.5
91.03957	2.9
91.05500	0.9
93.07069	1.8
95.05008	0.6
95.08594	2.4
97.02894	4.7
97.06560	0.3
99.04482	0.7
101.02362	1.9
103.03937	0.3
105.07045	0.7
107.04978	0.3
107.08623	1.0
109.02903	1.0
109.10196	0.9
111.08107	0.2
115.03966	0.6
117.07111	0.4
119.08616	0.8
121.06456	0.3
121.10178	0.5
123.11784	0.3
127.03937	1.8
131.08554	0.3
135.11694	2.5
135.12509	0.2
140.00922	0.3
142.24533	0.2
145.04948	0.3
145.10185	1.1
163.11189	3.1
164.13982	0.2
181.12228	0.6
185.04332	0.8
195.52708	0.3
203.05316	0.7
219.09956	0.4
227.12822	2.4
243.08508	1.8
249.10991	5.7
250.11304	0.2
259.08044	0.3
305.13718	1.8
313.27408	0.6
347.09393	1.8
363.09143	0.4
365.10715	0.7
405.13608	6.0
405.18692	0.3
406.14188	0.3
467.18912	10.0
468.19580	0.6
497.30856	5.6
498.31491	0.5
561.37573	0.6
629.02527	0.3
629.24121	6.9
630.24847	0.7
659.36090	4.9
659.46460	0.4
660.36505	0.5
723.42981	3.0
723.89172	0.3
763.93750	0.3
885.48096	100.0
886.48383	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.427
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	3.0
67.05507	41.2
68.05830	1.2
69.03434	8.0
69.07069	10.6
69.08582	8.9
70.04221	1.6
71.01334	2.1
71.05004	4.2
73.02923	9.8
79.05493	38.7
80.06271	1.9
81.03418	26.6
81.07058	28.2
81.07526	1.8
82.04197	8.0
83.01324	1.2
83.04983	19.1
83.08619	12.8
84.02121	1.5
84.05773	1.2
85.02899	17.2
85.03375	1.6
85.06548	2.8
87.04474	1.8
90.75464	0.8
91.03957	7.8
91.05483	26.3
93.07041	20.5
94.04178	1.2
94.07841	2.1
95.04971	21.6
95.08603	12.0
96.05768	2.0
97.02899	12.8
97.06530	11.0
97.10170	22.1
98.07318	9.1
99.04482	1.1
99.08102	1.8
101.06001	1.3
103.05482	1.4
105.04487	1.1
105.07037	13.3
107.04956	10.4
107.08588	16.0
108.09423	0.9
109.02880	2.1
109.06532	4.9
109.10153	16.4
110.07273	1.0
111.04438	4.6
111.08089	7.5
111.81961	0.8
115.03856	1.1
115.05505	1.3
115.64174	0.8
116.04713	20.6
117.05475	1.1
117.06993	5.9
119.08590	12.2
121.06522	4.1
121.10143	6.9
123.08045	10.6
125.05960	0.9
125.09631	26.0
127.03941	2.7
127.11202	2.9
128.06206	1.0
129.05481	48.7
129.06923	7.0
131.08577	8.4
133.06499	1.1
133.10141	8.5
135.08054	5.6
135.11685	9.2
136.08890	2.0
137.09599	4.8
142.07773	1.1
143.07048	10.2
143.10645	1.9
145.04953	2.9
145.06555	1.3
145.10135	7.7
147.08060	2.7
147.11716	6.9
149.09662	2.7
153.09131	2.9
153.12753	4.2
155.08543	1.2
155.10599	1.6
157.08618	18.2
157.10118	5.6
158.05765	2.0
163.06032	4.0
163.11186	12.0
164.11899	1.8
165.12814	1.5
171.06528	2.5
171.10161	7.8
173.09637	2.9
173.11731	6.3
175.11205	4.5
178.12225	1.8
179.77969	0.9
180.69630	1.0
181.12259	3.2
183.06534	2.0
185.08179	1.4
185.11755	2.2
189.11221	14.3
190.11502	1.0
191.10695	4.1
192.11432	1.3
193.12227	8.2
199.09715	1.0
199.13300	12.7
200.14064	4.0
201.14813	1.1
203.62669	0.8
209.11754	9.3
210.12515	2.6
211.09650	1.2
211.13318	4.7
217.14343	3.4
225.11203	1.1
227.12770	20.6
228.13229	1.8
229.14313	5.9
247.13243	1.2
255.15977	3.6
265.14413	1.8
267.15933	14.1
268.16586	2.1
269.17490	1.3
283.15396	13.2
283.18506	1.8
284.16055	2.2
285.16837	1.6
301.16446	100.0
302.16736	4.7
355.17651	1.9
409.26086	1.8
410.25708	0.9
425.25259	1.5
437.25272	1.2
438.26279	1.5
443.26392	3.5
455.26279	10.1
456.27124	1.3
459.27420	2.8
460.58997	0.9
475.26813	2.5
477.28134	2.8
493.28082	7.8
494.28262	1.9
498.57626	0.9
509.27512	5.6
510.27948	4.3
527.28479	63.2
528.28601	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05181	1.2
67.05508	16.5
68.03422	0.8
69.03445	4.0
69.07064	3.5
71.04988	3.2
71.15835	0.8
73.02920	1.5
79.05495	17.5
81.03423	74.7
81.07061	18.5
82.03741	1.4
83.03230	0.8
83.04982	9.6
83.08622	16.7
85.02909	11.3
85.06555	0.9
86.86919	0.8
91.03961	1.8
91.05486	21.0
92.05789	0.8
93.07043	11.0
95.04966	25.6
95.08607	7.6
97.02881	3.2
97.06541	2.4
97.10168	5.1
99.08137	0.8
105.07031	15.3
105.07676	1.4
107.04945	7.2
107.08610	6.4
109.06524	3.4
109.10181	3.6
111.04436	1.5
111.08095	8.4
113.06008	1.0
115.05470	1.2
117.07030	2.8
119.08602	13.4
121.06524	3.0
121.10163	7.2
121.64305	0.8
123.04433	1.4
123.08053	2.6
123.11657	0.8
125.09628	3.9
128.06261	1.2
129.07010	11.5
131.04897	1.1
131.08571	10.8
133.06516	3.0
133.10117	7.1
135.08022	0.9
137.09618	2.1
141.06973	1.5
142.07780	2.3
143.08504	0.9
145.06523	4.1
145.10126	2.5
147.08031	3.9
147.11676	9.5
149.09648	5.5
151.11276	0.9
153.09097	1.0
155.08548	1.1
157.10129	9.5
159.08054	1.0
163.05933	0.8
163.11198	1.7
165.12747	2.4
167.16602	0.7
168.95682	0.7
169.10149	1.5
171.08076	1.2
171.11711	0.9
175.11185	10.1
185.09570	0.9
189.11259	1.0
189.12755	0.9
193.12251	24.9
194.12581	1.0
205.12305	1.3
211.11429	1.5
211.13293	10.9
219.13959	0.9
227.12683	1.6
229.14342	1.4
229.78677	1.2
236.58450	0.8
237.12900	1.4
249.14862	2.3
255.13731	1.9
267.15915	100.0
268.16364	4.1
273.14865	4.2
281.15396	1.0
285.16971	10.8
309.17090	0.8
311.73331	0.7
339.23166	1.5
341.21194	1.0
349.21487	2.7
357.24216	1.1
367.22626	8.2
385.23785	8.1
386.23956	1.5
403.24890	3.1
415.24771	1.1
433.25836	16.4
434.26172	1.6
441.26453	5.9
449.29187	1.1
459.27426	75.5
460.27747	7.8
477.28488	41.9
478.28662	4.9
501.28445	1.8
509.30905	1.0
519.29285	3.4
567.28778	1.1
585.30316	1.9
603.31879	1.1
621.32977	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	3.4
69.03435	3.2
69.07064	1.0
71.01363	0.5
71.05002	0.7
71.08630	1.6
73.02918	3.7
74.44138	0.3
75.43657	0.2
76.01440	0.2
79.05496	2.2
79.50788	0.3
81.03419	2.9
81.07051	2.9
83.04980	1.1
83.08611	1.6
85.02901	6.3
85.10207	0.8
87.04480	0.5
91.03958	2.9
91.05481	2.8
93.07046	2.0
95.04985	1.1
95.08604	2.3
97.02894	4.3
97.06557	0.4
97.10146	0.6
98.22984	1.7
99.04478	0.8
101.02393	1.7
103.03936	0.3
105.07037	1.7
107.04973	0.4
107.08603	1.2
109.02882	0.9
109.06554	0.4
109.10147	1.7
111.04432	0.3
115.03935	0.5
117.07045	0.4
119.08603	1.0
121.10157	0.6
123.08077	0.3
123.11723	0.4
125.09786	0.3
127.03913	1.8
129.07031	0.3
131.08597	0.9
133.10176	1.1
134.10509	0.3
145.04967	0.3
147.11732	0.6
149.09665	0.4
149.13344	0.3
151.11221	0.3
154.75151	0.2
157.10158	0.6
159.11691	0.3
173.11801	0.4
175.11252	0.6
185.04286	0.9
193.12355	1.1
203.05331	0.6
211.13344	0.5
219.68283	0.2
229.38782	0.3
243.08386	1.9
251.12631	0.8
253.14383	0.5
261.22183	0.4
269.12637	0.3
269.17578	1.1
291.19772	0.3
307.15204	0.5
313.27359	0.7
335.25833	0.9
347.09497	2.2
363.08957	0.4
365.10779	0.4
365.74136	0.3
405.13687	5.0
469.20438	5.6
469.26486	0.4
470.21179	0.6
497.30884	3.0
529.38837	1.6
631.25659	7.1
632.26233	0.4
659.36053	3.5
725.44379	1.8
854.33429	0.3
887.49658	100.0
888.49872	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	5.0
66.04739	1.3
67.05504	100.0
68.05833	2.0
69.03431	11.0
69.07069	26.9
69.16219	0.9
71.01353	1.9
71.04991	7.3
71.08614	0.8
73.02898	4.5
79.05491	56.6
81.03417	17.5
81.07056	68.7
82.07421	1.3
83.01329	0.9
83.04977	14.3
83.08614	19.7
85.02903	11.4
85.06555	4.3
87.04484	3.3
90.92628	0.9
91.05478	42.8
92.05812	1.0
93.07043	44.8
94.07343	1.1
95.04970	13.1
95.08604	29.9
97.02876	5.6
97.06532	12.3
97.10164	13.0
98.23411	1.5
99.04436	1.5
99.08099	3.3
103.05482	2.7
105.04506	1.6
105.07025	33.4
106.07353	0.9
107.04957	10.7
107.08593	25.4
109.02862	1.8
109.06520	6.9
109.10153	51.5
111.04451	2.7
111.08060	8.2
113.06019	1.0
113.09702	1.0
115.05484	2.3
115.72910	0.9
117.07011	12.8
119.08581	22.4
119.09431	1.3
121.06501	4.9
121.10152	15.6
122.10474	0.8
123.08054	5.3
123.11737	2.9
125.06000	1.1
125.09637	13.3
127.03915	2.2
127.11222	1.0
128.06207	1.5
129.05498	5.1
129.06987	5.6
130.07825	1.3
131.03403	0.8
131.08569	16.2
133.06494	3.0
133.10126	16.2
135.08087	5.5
135.08943	0.8
135.11682	13.7
137.09598	5.4
139.11177	1.0
141.06989	1.3
142.07733	1.1
143.08589	3.5
143.10732	1.2
145.04967	0.9
145.06479	2.3
145.10109	14.5
147.08060	1.9
147.11690	10.8
149.09627	10.7
149.13257	8.2
151.11198	1.8
153.12762	2.9
155.08568	2.5
155.10698	3.5
157.08954	1.1
157.10071	5.0
159.08052	1.6
159.11697	10.4
161.09583	1.4
161.13289	3.4
163.11177	11.5
165.09138	0.9
165.12808	2.4
169.10207	2.8
171.10263	0.9
171.11687	2.2
173.04591	1.7
173.06027	0.9
173.09616	2.7
173.11760	15.5
173.13272	3.5
175.11218	2.5
177.12779	3.4
178.80634	0.8
179.14291	1.9
181.12238	3.2
183.11714	1.2
184.07288	1.2
185.13321	1.1
187.11234	1.4
187.14908	1.1
189.11243	2.2
191.10745	2.6
193.12242	3.0
195.13808	6.0
195.96330	0.9
197.13362	0.9
199.13313	5.4
199.14908	1.3
209.11739	4.8
211.13287	1.9
223.13295	1.1
227.12718	8.0
227.18201	1.0
229.14346	37.2
230.14871	1.0
233.15457	1.2
247.20517	1.5
251.16403	1.2
253.14343	1.0
255.15822	7.2
257.19009	5.4
265.14355	1.2
267.15948	6.4
269.17456	16.2
273.18481	1.7
275.20044	17.4
283.15396	3.2
291.19339	4.1
293.17307	1.3
293.21042	1.5
301.16425	7.7
321.17047	1.0
323.18863	1.0
331.22672	1.3
349.23727	15.3
350.24142	1.1
365.23312	1.3
367.24930	2.0
393.26312	1.3
399.23795	12.0
409.25879	6.5
423.27396	17.5
477.28497	1.6
481.27936	1.4
495.29434	4.0
503.33636	6.0
518.03668	0.9
521.34344	1.7
575.35529	1.5
579.35059	3.9
593.36768	20.2
594.37061	1.7
673.42310	3.5
691.43445	2.7
888.48938	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	5.0
66.04739	1.3
67.05504	100.0
68.05833	2.0
69.03431	11.0
69.07069	26.9
69.16219	0.9
71.01353	1.9
71.04991	7.3
71.08614	0.8
73.02898	4.5
79.05491	56.6
81.03417	17.5
81.07056	68.7
82.07421	1.3
83.01329	0.9
83.04977	14.3
83.08614	19.7
85.02903	11.4
85.06555	4.3
87.04484	3.3
90.92628	0.9
91.05478	42.8
92.05812	1.0
93.07043	44.8
94.07343	1.1
95.04970	13.1
95.08604	29.9
97.02876	5.6
97.06532	12.3
97.10164	13.0
98.23411	1.5
99.04436	1.5
99.08099	3.3
103.05482	2.7
105.04506	1.6
105.07025	33.4
106.07353	0.9
107.04957	10.7
107.08593	25.4
109.02862	1.8
109.06520	6.9
109.10153	51.5
111.04451	2.7
111.08060	8.2
113.06019	1.0
113.09702	1.0
115.05484	2.3
115.72910	0.9
117.07011	12.8
119.08581	22.4
119.09431	1.3
121.06501	4.9
121.10152	15.6
122.10474	0.8
123.08054	5.3
123.11737	2.9
125.06000	1.1
125.09637	13.3
127.03915	2.2
127.11222	1.0
128.06207	1.5
129.05498	5.1
129.06987	5.6
130.07825	1.3
131.03403	0.8
131.08569	16.2
133.06494	3.0
133.10126	16.2
135.08087	5.5
135.08943	0.8
135.11682	13.7
137.09598	5.4
139.11177	1.0
141.06989	1.3
142.07733	1.1
143.08589	3.5
143.10732	1.2
145.04967	0.9
145.06479	2.3
145.10109	14.5
147.08060	1.9
147.11690	10.8
149.09627	10.7
149.13257	8.2
151.11198	1.8
153.12762	2.9
155.08568	2.5
155.10698	3.5
157.08954	1.1
157.10071	5.0
159.08052	1.6
159.11697	10.4
161.09583	1.4
161.13289	3.4
163.11177	11.5
165.09138	0.9
165.12808	2.4
169.10207	2.8
171.10263	0.9
171.11687	2.2
173.04591	1.7
173.06027	0.9
173.09616	2.7
173.11760	15.5
173.13272	3.5
175.11218	2.5
177.12779	3.4
178.80634	0.8
179.14291	1.9
181.12238	3.2
183.11714	1.2
184.07288	1.2
185.13321	1.1
187.11234	1.4
187.14908	1.1
189.11243	2.2
191.10745	2.6
193.12242	3.0
195.13808	6.0
195.96330	0.9
197.13362	0.9
199.13313	5.4
199.14908	1.3
209.11739	4.8
211.13287	1.9
223.13295	1.1
227.12718	8.0
227.18201	1.0
229.14346	37.2
230.14871	1.0
233.15457	1.2
247.20517	1.5
251.16403	1.2
253.14343	1.0
255.15822	7.2
257.19009	5.4
265.14355	1.2
267.15948	6.4
269.17456	16.2
273.18481	1.7
275.20044	17.4
283.15396	3.2
291.19339	4.1
293.17307	1.3
293.21042	1.5
301.16425	7.7
321.17047	1.0
323.18863	1.0
331.22672	1.3
349.23727	15.3
350.24142	1.1
365.23312	1.3
367.24930	2.0
393.26312	1.3
399.23795	12.0
409.25879	6.5
423.27396	17.5
477.28497	1.6
481.27936	1.4
495.29434	4.0
503.33636	6.0
518.03668	0.9
521.34344	1.7
575.35529	1.5
579.35059	3.9
593.36768	20.2
594.37061	1.7
673.42310	3.5
691.43445	2.7
888.48938	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	1.7
69.03428	3.0
69.07075	0.7
69.43487	2.0
71.01362	0.4
71.05002	0.9
73.02916	3.4
79.05505	2.1
81.03418	4.8
81.07053	2.0
83.04995	0.7
83.08641	1.2
85.02902	6.5
87.04453	0.3
91.03966	3.3
91.05478	3.0
93.07034	2.0
95.04947	1.6
95.08617	0.8
97.02893	5.1
97.03501	0.3
97.06528	0.7
101.02370	1.4
103.03984	0.3
105.07025	2.3
107.04938	0.7
107.08612	0.9
109.02898	0.6
109.06564	0.4
109.10126	0.4
111.04482	0.4
111.08133	0.7
115.03927	0.7
119.08573	1.3
120.53050	0.3
121.10153	1.4
123.01588	0.3
127.03922	1.5
129.07019	0.8
131.08629	1.2
133.06561	0.4
133.10182	1.1
139.03914	0.4
147.11697	1.7
149.09647	1.1
157.09036	0.3
157.10155	1.8
175.11275	0.9
185.04251	0.8
192.98267	0.3
193.12247	2.5
201.03813	0.3
203.05354	0.4
205.13182	0.3
211.13376	0.8
225.14929	0.6
243.08495	1.7
251.12682	0.6
267.16019	1.0
269.12308	0.5
275.07623	0.3
283.15109	2.3
307.15097	0.4
307.46628	0.3
339.17780	0.7
347.09497	2.5
365.10757	1.0
405.13644	5.4
469.20471	7.4
470.20886	0.8
501.16220	0.2
501.23035	7.6
502.23523	0.6
530.58124	0.3
530.72736	0.3
631.25720	6.2
632.26337	0.5
663.28284	6.7
664.29474	0.8
667.69141	0.3
729.36566	2.6
730.36823	0.5
851.49799	0.3
891.41840	100.0
892.42206	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.487
Annotation	Unknow
Peak:m/z	Relative Intensity
65.75408	0.4
67.05511	3.4
69.03432	3.8
69.07081	1.1
69.69312	1.8
73.02921	4.2
78.43922	0.5
79.05503	3.0
81.03448	1.8
81.07052	3.9
83.04984	0.9
83.32814	0.5
85.02898	6.2
91.03967	3.6
91.05495	0.7
93.07052	2.7
95.08630	2.0
97.02890	6.8
98.79106	0.6
99.04460	1.0
101.02377	2.5
105.07049	0.7
107.08617	2.0
109.02901	0.9
115.03963	0.7
121.10183	0.9
127.03873	2.6
131.08643	0.7
133.10112	0.6
135.11722	0.9
138.22189	0.5
149.13293	0.6
157.45728	0.5
161.71376	0.5
184.84674	0.6
185.04292	0.9
203.05402	0.5
243.08566	1.9
335.25882	0.5
347.09683	2.0
364.66367	0.6
365.10596	0.5
392.62802	0.5
405.13736	4.9
453.20966	3.9
514.44128	0.5
519.29260	5.1
615.26251	3.7
616.26660	0.6
681.34302	7.1
682.35120	0.6
731.43829	1.9
893.48645	100.0
894.48999	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	1.8
67.05499	23.1
69.03422	5.4
69.07067	7.8
71.04987	2.8
71.08628	14.7
71.31044	1.8
73.02910	2.9
76.41884	1.0
79.05487	15.9
81.03414	6.9
81.07052	22.5
83.04976	4.7
83.08603	9.5
84.91837	1.2
85.02909	13.7
85.10165	8.5
91.03960	6.0
91.05479	9.6
93.07039	14.8
95.04956	10.4
95.08601	17.1
97.02884	6.7
97.06512	1.8
97.10156	11.1
100.99185	1.1
105.04556	1.3
105.07019	5.5
107.04956	3.4
107.08595	11.1
109.06533	1.4
109.10145	13.0
111.08124	1.3
117.07050	7.6
119.03980	1.2
119.08560	2.7
121.06512	3.3
121.10155	3.7
123.08087	1.7
123.11674	1.3
125.09608	7.3
127.03926	3.3
131.08546	6.1
133.10147	2.5
135.08026	2.7
135.11629	1.5
137.13220	1.6
138.99747	1.2
141.06905	1.8
143.08562	1.4
145.05013	2.6
145.10144	2.9
149.13220	1.7
159.11688	5.4
163.05998	3.3
168.24681	1.3
169.10068	1.6
173.11705	1.3
177.12764	2.5
180.57813	1.2
187.11201	3.7
189.11200	6.8
189.12665	1.2
198.79587	1.2
205.12262	4.0
222.08301	1.1
223.11067	1.7
223.13280	35.0
224.13669	1.7
227.12764	6.7
229.14346	1.8
239.23814	2.1
257.24649	1.3
279.15826	3.6
281.17563	1.2
297.16946	100.0
298.17242	4.3
313.27350	56.2
314.27856	3.4
368.02875	1.3
399.17361	1.2
467.37341	6.3
535.39923	56.4
536.39844	4.3
553.40948	2.4
894.48248	1.8
895.48523	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	0.9
67.05505	21.9
69.03436	4.5
69.07067	9.7
71.01341	1.1
71.04955	2.0
71.08633	20.6
71.09003	0.7
71.31226	0.9
73.02924	5.1
79.05492	13.8
81.03423	7.5
81.07056	19.4
82.04157	1.5
83.04985	7.9
83.08620	10.6
85.02906	13.7
85.06492	1.5
85.10182	12.1
89.06019	1.3
91.03954	6.3
91.05481	10.9
93.07039	11.1
95.04972	8.6
95.08605	19.8
96.04463	0.6
97.02293	0.6
97.02885	9.5
97.06540	4.5
97.10168	9.4
98.07270	2.1
99.04409	1.4
99.08094	0.8
99.11713	0.6
101.05999	0.8
103.07556	1.4
105.07034	5.4
107.04963	5.4
107.07948	0.7
107.08588	7.7
109.02831	0.8
109.06475	1.9
109.09457	0.8
109.10151	10.1
111.04448	4.4
111.08083	3.0
111.11691	0.7
113.05954	0.8
115.03857	0.6
116.04712	5.2
117.07010	3.3
119.08587	5.3
121.06470	1.3
121.10164	4.6
123.04360	0.6
123.08020	1.9
123.11707	3.0
125.05943	0.6
125.09624	6.2
125.13240	0.6
127.03886	2.7
127.11147	1.7
129.04619	0.7
129.05490	14.2
129.06996	2.0
131.08563	4.1
133.10089	2.2
135.08028	1.7
135.11696	5.4
137.09596	1.4
137.13223	1.2
143.07016	3.4
143.08517	0.8
145.04922	4.0
145.06404	0.8
145.10129	6.4
147.08127	0.6
147.11661	2.0
149.09573	2.0
153.12729	1.0
155.08476	1.0
157.08562	5.5
157.10069	1.4
158.05762	1.1
163.06020	3.0
163.11195	6.1
165.12685	0.7
165.16270	0.6
171.06474	2.2
171.10170	2.5
173.09663	3.0
173.11713	0.9
175.11121	1.1
181.12167	1.2
185.08070	1.0
185.11719	0.8
189.11226	4.3
191.10646	4.2
193.12253	1.9
199.09563	1.0
199.13301	2.1
200.14175	0.9
209.11720	10.1
210.12410	1.1
213.11198	0.9
217.14336	0.7
227.12781	6.3
228.13292	0.7
229.14317	1.3
239.23776	3.2
241.14114	0.8
255.15892	2.8
257.24771	2.2
265.14511	0.7
267.15927	3.8
283.15402	55.5
284.15869	2.4
288.51007	0.5
297.15561	0.6
301.16446	45.5
302.16827	2.1
311.22162	0.9
313.27356	90.6
314.27661	4.1
367.28378	4.1
381.29770	0.9
383.44647	0.5
395.31454	2.4
409.33246	0.7
438.37021	2.0
455.37735	0.6
467.37790	0.9
505.38852	4.0
521.38379	26.7
522.39050	3.8
535.20325	0.7
539.39423	100.0
540.39777	8.2
599.01208	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	1.4
67.01859	0.6
67.05498	0.7
68.99797	7.9
81.03411	3.1
83.58975	0.5
85.02872	0.6
91.05483	1.1
93.03400	0.8
95.04965	1.2
105.03397	1.7
107.04938	0.7
109.02876	6.2
111.00803	9.5
111.04433	1.4
111.15674	0.5
114.28478	0.5
115.05437	0.6
119.04943	1.5
121.02837	1.8
123.04431	24.6
124.04790	0.6
127.03916	49.0
128.04306	0.7
133.02841	3.7
135.04408	3.5
137.02344	0.9
137.05975	0.7
137.62643	0.6
139.03903	63.2
140.04192	1.1
141.06929	0.6
145.06459	0.6
147.04404	7.4
149.02356	4.2
150.03049	0.9
151.03906	38.6
152.04280	0.9
153.01816	0.8
153.05421	1.0
155.03384	8.5
157.06519	0.7
159.04373	0.9
161.02327	1.0
161.05960	2.2
163.03926	5.6
165.01862	0.6
165.05496	4.9
167.03354	2.1
169.04938	1.9
169.06284	0.6
171.04398	2.0
173.06004	1.5
175.03906	9.0
177.01892	0.7
177.05478	6.4
179.03398	42.2
180.03735	1.4
181.04903	1.4
183.04410	0.7
185.05962	1.4
187.03899	1.2
189.05455	4.0
191.03400	8.1
193.04967	2.3
194.52492	0.5
197.05971	0.6
199.03923	3.7
201.05502	3.0
203.03386	18.0
205.01364	0.6
205.04941	1.6
207.06467	0.6
211.03896	0.5
213.05487	5.2
215.03340	1.3
217.04964	5.7
219.02910	1.2
219.06561	1.4
221.04398	1.3
223.02348	3.1
225.05428	0.8
226.33606	0.6
227.03368	1.3
229.04921	5.9
231.02832	0.8
231.06487	2.2
233.04434	5.2
239.03540	0.6
241.04915	4.3
243.06377	0.5
245.04456	100.0
246.04770	3.7
247.02362	0.6
247.05969	3.3
253.04984	1.8
257.04456	15.1
258.05099	0.9
259.06107	3.9
263.05511	27.8
264.05856	1.3
269.04440	5.2
270.05106	0.7
271.02966	0.6
271.05896	2.8
275.05502	24.3
277.07047	3.5
281.04388	1.8
283.06003	0.8
285.04092	1.0
286.04633	0.7
287.05496	44.1
288.05869	2.1
289.07068	1.3
291.08633	11.4
295.06061	1.1
297.03897	1.4
299.05490	8.8
305.06546	21.6
306.06775	1.1
307.05688	0.7
309.03824	1.6
311.05530	1.5
317.06494	12.5
318.06903	0.7
319.06137	0.6
321.04056	0.7
321.07446	1.2
323.05344	0.7
325.06894	0.6
327.05032	0.6
329.06473	1.5
331.06091	1.0
333.09406	0.7
339.04901	1.2
347.07565	0.8
349.06955	1.5
351.04895	1.9
363.04907	0.9
377.06595	1.4
381.06015	1.5
389.06458	0.6
391.08032	0.7
393.06116	3.4
395.07553	1.8
399.07208	1.2
405.06021	5.9
406.84402	0.5
409.09161	3.6
411.07187	0.8
413.08737	5.9
417.06015	1.0
419.07095	0.6
423.07092	21.0
424.07391	1.2
425.08597	7.9
426.09048	0.6
427.10297	2.7
433.09146	0.6
435.07144	4.2
437.08545	1.0
441.08118	10.1
442.08438	0.7
443.09790	13.0
444.09891	0.9
447.07162	1.4
451.10095	1.8
453.08170	3.2
455.09711	1.0
465.08203	3.5
469.11337	1.2
545.10571	1.8
549.10211	0.7
561.10303	2.4
567.11072	2.1
573.09918	1.8
595.14862	2.3
609.12311	1.6
713.14813	1.6
731.15515	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	2.0
66.58414	0.9
67.05505	43.9
69.03413	1.9
69.07070	8.1
71.04975	2.4
71.08635	1.2
71.11589	1.6
73.02910	1.2
77.03918	1.2
79.05493	47.5
81.03423	4.9
81.07059	35.1
82.07380	1.1
83.04982	8.2
83.08627	6.1
85.02908	3.9
85.06518	2.1
91.03959	3.2
91.05477	35.4
93.07042	47.9
94.07394	1.1
95.04969	11.4
95.08606	26.1
97.02884	2.7
97.06522	3.7
97.10162	3.1
98.23132	1.1
99.96835	1.0
105.04532	1.7
105.06379	1.7
105.07034	21.0
107.04948	4.2
107.08601	17.2
109.06528	3.3
109.10146	9.2
111.08071	1.6
117.03159	0.9
117.07002	5.8
119.08579	14.4
121.06499	2.6
121.10149	9.9
123.08064	3.0
123.11702	1.7
125.75863	0.9
127.07541	0.9
128.06157	1.4
129.07004	8.4
131.08569	6.3
133.10107	8.4
135.11711	5.7
143.08514	5.0
145.05002	1.0
145.10144	8.2
147.08031	1.4
147.11688	19.3
149.13252	1.9
157.10097	1.1
159.11722	2.7
161.09627	2.0
161.13217	6.4
163.06163	1.0
163.11203	1.6
171.11688	13.7
173.13264	2.2
189.12701	4.7
207.13803	19.4
243.20970	1.2
261.22037	4.2
279.15967	2.6
281.17462	57.2
282.17825	2.1
301.16278	1.5
302.16721	0.9
313.27267	2.9
314.27716	1.0
335.25775	44.7
336.26099	2.7
386.17337	1.0
402.12906	1.1
467.34799	1.3
541.38855	100.0
542.39203	9.9
559.39825	2.2
560.97345	0.9
586.80786	1.0
901.50458	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	1.2
67.05505	15.9
69.03429	2.3
69.07060	8.5
71.04983	2.3
71.08633	23.2
71.30399	1.7
73.02917	2.6
73.06660	1.1
79.05486	8.7
81.03417	60.1
81.07059	17.6
82.03767	0.9
83.04998	3.1
83.08620	18.7
85.02898	6.4
85.10188	13.2
89.06054	1.3
91.03956	5.2
91.05488	12.3
93.07040	6.8
95.04964	16.9
95.08606	18.8
95.93371	0.9
97.02890	3.5
97.06541	1.6
97.10172	6.2
105.07032	8.4
107.04971	4.1
107.08625	3.6
109.06532	2.1
109.10157	8.5
111.04462	2.6
111.08067	5.3
113.06012	1.1
115.05486	1.2
117.09178	0.9
118.52408	0.9
119.08572	10.4
121.06522	1.9
121.10122	5.3
123.04422	1.5
123.08092	1.5
123.11704	1.9
125.09603	1.1
127.03880	1.2
129.06981	5.8
131.08549	5.4
133.06485	1.4
133.10138	3.5
137.13306	1.2
139.89885	1.0
142.07813	1.3
145.04933	2.0
145.10118	3.0
147.08075	2.7
147.11658	5.0
149.09625	3.3
157.10101	7.8
163.06004	2.7
163.11287	2.3
165.12767	1.5
173.09703	1.1
175.11165	7.1
181.47450	0.9
191.10690	1.1
192.17595	1.2
193.12242	21.0
223.13287	1.2
239.23718	1.7
249.14900	1.6
257.24768	1.4
259.13409	1.5
265.14484	1.2
267.15915	100.0
268.16248	5.4
273.14734	1.0
283.15414	2.3
284.15622	1.5
298.43768	1.0
301.14072	2.3
302.17035	1.5
309.17068	2.0
313.27356	95.2
314.27728	6.5
505.38831	77.4
506.38901	7.2
523.39630	1.8
541.39539	1.3
547.40009	5.1
601.41028	2.3
613.40802	2.1
649.43280	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	2.9
67.05507	42.2
69.03429	6.6
69.07072	10.5
69.15499	2.4
69.15915	6.1
71.01360	1.8
71.04998	5.5
73.02928	5.4
77.38183	0.9
79.05498	36.2
81.03419	100.0
81.07056	30.8
82.03753	1.5
82.04201	2.6
83.04982	26.0
83.08619	25.1
85.02895	9.6
85.06535	2.0
91.03960	2.4
91.05484	31.2
92.05789	1.5
93.07047	24.5
94.07841	1.5
95.04969	35.0
95.08608	12.9
97.02914	7.2
97.06521	10.2
97.10180	15.5
98.07318	4.3
99.04456	2.9
99.08098	3.4
101.05997	1.3
103.05489	1.5
105.07033	19.5
106.07761	1.0
107.04951	19.4
107.08602	16.0
108.05766	1.2
109.02847	1.8
109.06505	6.4
109.10161	15.8
111.04459	9.4
111.08078	13.4
115.05485	3.2
116.04713	11.3
117.05573	1.1
117.06985	7.7
119.08585	17.1
121.02881	4.7
121.06509	6.4
121.10129	14.1
123.04440	2.3
123.08075	4.2
125.09637	17.0
127.03938	1.9
127.11169	1.2
129.05490	26.5
129.06973	13.5
131.04927	3.1
131.08563	15.2
133.06514	4.7
133.10118	9.2
133.48454	1.0
135.04424	4.3
135.08063	4.0
135.11688	12.2
137.05994	2.1
137.09625	4.1
138.00938	1.2
141.07045	2.3
142.07809	2.4
143.00934	1.2
143.07034	6.1
143.08591	1.1
145.06517	2.7
145.10097	8.7
147.04419	4.4
147.08073	5.0
147.11687	10.4
149.05994	1.4
149.09619	8.8
153.09129	2.5
153.12750	17.5
155.10648	1.3
157.08617	13.6
157.10135	13.3
159.08118	1.9
159.11711	1.2
161.06094	1.2
161.09619	1.6
163.11179	16.9
165.12753	3.7
169.25766	1.0
171.10168	6.0
171.11554	2.0
173.09660	3.3
173.11769	5.8
173.13110	1.8
175.11224	12.1
181.12228	15.9
183.11739	2.9
185.11787	1.5
185.13258	1.4
189.11249	13.5
191.10672	8.9
193.12248	33.3
193.14018	1.7
194.12581	1.4
199.13274	4.1
200.14130	1.8
201.12758	3.6
201.14879	4.0
203.14259	1.6
205.12201	2.4
209.11772	9.6
211.13226	9.5
219.13847	4.1
223.13280	1.3
223.82964	1.2
225.14980	1.3
227.12775	35.0
228.13280	1.9
229.12288	1.9
229.14343	18.8
231.13858	4.3
237.31000	1.1
247.13327	31.9
249.14897	6.3
255.15933	2.5
259.13281	2.9
265.14285	2.5
267.15909	76.8
268.16330	2.5
273.14871	1.3
283.15405	18.2
285.17065	3.6
301.16473	34.9
321.16898	10.9
339.18121	3.1
355.22495	1.4
383.22382	5.3
401.23059	2.8
421.25610	1.4
435.26877	1.2
457.25714	2.2
458.26608	2.4
459.27472	3.2
475.26956	18.8
476.27429	3.3
477.28546	2.2
493.28027	37.3
494.28290	2.2
525.30121	3.2
605.49774	1.3
690.00299	1.4
761.71783	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	2.0
66.36694	0.4
67.05503	23.2
69.03431	7.2
69.07069	7.4
70.32648	1.1
71.01366	0.7
71.04992	5.5
73.06554	0.5
79.05490	26.6
81.03416	76.5
81.07054	28.1
82.03767	0.8
83.04475	0.8
83.04977	16.8
83.08616	23.7
85.02903	17.6
85.06529	1.9
87.04464	0.6
91.05477	38.4
92.05824	0.8
93.07043	19.9
95.04966	29.7
95.08601	9.4
96.05340	0.5
97.02898	4.9
97.06524	3.8
97.10159	4.0
99.04436	2.0
99.08096	1.4
103.05437	0.6
105.04542	0.9
105.07027	25.6
106.07368	0.6
107.04956	9.3
107.08585	7.2
109.02879	7.1
109.06514	5.3
109.10149	2.1
111.04449	3.6
111.08080	11.6
113.06012	2.0
115.05454	1.8
116.06203	0.6
117.06975	2.0
119.04942	0.9
119.08576	20.8
120.08907	0.7
121.06521	2.0
121.10142	8.4
123.04426	0.8
123.08076	2.4
123.11700	0.9
125.05974	0.6
125.09630	1.7
127.03918	10.9
127.07547	0.7
127.11151	0.4
128.06213	1.1
129.07004	14.6
131.08568	14.0
132.08891	0.4
133.06494	2.9
133.10126	16.3
134.10455	0.6
135.11719	0.7
137.09615	1.8
141.07066	0.5
142.07774	4.4
145.06493	0.7
145.10138	3.1
147.08049	4.2
147.11676	16.8
149.09615	6.3
157.10121	16.3
163.11195	2.1
165.12766	4.3
165.70586	0.4
175.11180	17.0
176.11519	0.6
181.10225	0.4
189.11290	0.5
191.79932	0.4
193.12236	62.9
194.04231	0.4
194.12625	2.1
194.72536	0.4
211.13284	100.0
212.13655	3.2
227.12669	0.6
229.14313	1.3
235.13240	0.8
249.14891	0.7
253.14342	0.7
255.34380	0.5
267.15894	25.3
268.16174	1.0
273.14966	0.6
277.14063	0.6
285.16946	58.8
286.17310	2.9
301.14349	1.6
307.52216	0.5
319.15457	2.0
337.16440	4.0
355.13480	0.6
355.17526	7.1
367.22632	1.6
373.18686	0.8
385.23785	2.3
403.24768	1.2
441.26120	0.9
459.27393	14.2
460.27792	1.1
477.28464	16.8
478.28577	1.2
495.29495	38.0
496.30029	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	3.2
67.05506	54.6
67.51024	1.4
68.05825	1.6
69.03445	6.8
69.07076	15.1
71.05002	3.8
71.08633	3.9
71.30733	2.1
73.02915	6.0
79.05492	45.6
81.03421	17.8
81.06582	2.9
81.07060	58.2
82.03783	2.2
82.07428	1.6
83.01351	5.8
83.04976	14.6
83.08620	19.9
85.02905	21.8
85.06557	2.2
85.10126	1.5
91.03966	10.9
91.05482	28.8
91.06013	2.7
93.07049	59.2
94.07381	1.7
95.04966	11.8
95.08611	42.8
96.08949	1.7
97.02895	13.6
97.06541	4.3
97.10194	4.4
99.04457	2.5
105.07022	21.4
107.04951	8.5
107.08598	36.8
107.09290	2.7
109.02871	1.6
109.06516	7.4
109.10159	20.3
111.04441	3.4
111.08018	3.1
115.05362	1.6
117.07026	11.2
119.08582	21.1
121.06521	4.4
121.10154	22.8
123.08082	8.0
123.11716	4.1
125.06010	2.1
125.09664	3.9
127.03935	3.7
129.05586	1.7
129.07013	3.1
130.03320	1.5
130.07834	2.4
131.08572	12.4
133.10153	14.0
135.08051	3.0
135.11696	22.2
137.09618	2.0
137.13237	1.7
139.07605	1.6
143.08540	2.9
145.04970	4.7
145.10124	22.5
147.08054	1.7
147.11710	7.4
149.13268	4.6
153.12726	3.4
155.08548	2.7
157.10167	3.5
159.11656	6.5
161.13303	5.6
163.06029	5.5
163.11191	27.1
163.14833	3.6
169.10138	1.6
173.09610	2.8
173.13316	4.6
175.14749	2.1
181.12210	4.3
185.13228	1.9
187.14867	3.8
189.11243	3.7
191.10632	1.9
193.12285	3.4
209.11765	6.2
227.12782	17.9
243.21176	4.3
256.91617	1.9
259.20657	3.4
261.22128	17.3
267.15933	12.4
268.16248	5.5
269.16489	2.1
283.15402	100.0
284.15768	4.9
299.23746	4.2
313.27441	7.4
314.27655	7.8
315.27878	2.3
317.24670	4.7
335.25818	94.2
336.26123	8.3
368.35516	1.6
433.30893	1.9
451.32297	3.8
475.24725	5.3
492.24835	1.6
505.38718	4.1
506.39078	7.5
507.39392	5.0
507.87555	1.5
525.35693	5.6
543.36792	92.6
544.37384	10.2
561.37653	4.3
562.09930	1.6
647.36597	1.6
903.49249	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.7
67.05507	37.1
68.05840	1.1
68.82455	0.6
69.03407	2.9
69.06725	1.0
69.07071	12.9
71.04977	2.7
71.08648	1.1
71.31545	0.7
73.02911	2.1
77.03906	0.9
79.05494	37.1
80.05814	1.5
81.03407	4.3
81.07059	40.5
83.01366	1.1
83.04980	5.8
83.08621	9.1
85.02904	6.6
85.06538	1.1
91.03965	3.2
91.05479	18.9
93.07047	50.1
94.07352	0.8
95.04971	8.7
95.08606	50.2
96.08907	0.8
97.02900	6.4
97.06548	4.2
97.10164	3.0
99.04457	5.1
105.07030	14.3
107.04954	7.2
107.08598	33.6
107.60435	0.6
109.06512	2.7
109.10158	11.6
111.04443	1.0
111.08067	1.1
112.41200	0.7
113.09705	0.8
115.05464	1.1
117.07023	12.3
119.08588	16.1
121.06503	5.6
121.10146	20.9
122.10490	1.0
123.08046	2.0
123.11718	2.6
125.06000	3.1
127.03915	1.7
129.06975	1.0
130.07771	1.2
131.08559	5.8
133.10136	6.4
135.08061	3.1
135.11697	48.0
136.11983	1.8
137.09621	0.8
139.07594	1.2
143.08545	0.9
145.04892	1.0
145.10124	28.2
147.11708	2.6
149.13281	2.7
155.08557	0.8
159.11703	3.2
161.13280	2.0
163.11182	50.0
163.14816	1.3
164.11528	1.4
173.09622	1.5
173.13310	2.2
181.12239	9.2
185.13391	0.8
187.14856	1.7
187.31636	0.8
194.63959	0.8
201.16324	0.8
209.11703	1.2
216.23186	0.8
220.89174	0.7
227.12776	68.1
228.13133	2.6
243.20964	3.3
259.20663	0.8
261.22144	10.0
268.16299	1.0
283.15405	100.0
284.15802	5.2
299.23572	0.9
313.27240	1.4
314.27884	1.3
317.24603	3.4
335.25809	86.3
336.26154	5.3
341.49088	0.8
405.13562	0.8
525.35675	0.9
543.36816	90.9
544.37036	8.5
561.37854	1.7
772.46057	0.9
902.47400	1.7
903.49054	7.7
936.80463	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.4
67.05505	40.1
69.03430	3.9
69.07069	7.9
69.69878	1.4
69.70222	2.3
71.01361	1.3
71.04994	4.0
71.08619	1.5
73.02917	5.5
73.60723	0.6
77.03896	0.7
79.05490	38.8
80.05828	1.0
81.03416	11.1
81.07056	45.9
82.07390	0.8
83.01345	8.7
83.04980	10.8
83.08624	12.3
85.02902	18.9
85.03435	0.9
85.06526	2.0
91.03950	9.3
91.05482	21.7
92.65064	0.7
93.07040	46.0
95.04963	7.4
95.08604	28.4
95.09232	1.0
96.04491	1.1
96.08913	0.8
96.74767	0.7
97.02888	12.0
97.06519	5.1
97.10159	4.6
99.04459	3.1
99.08078	0.8
100.88587	0.8
101.06087	0.8
103.05474	1.2
105.04507	1.6
105.07031	17.5
107.04961	5.9
107.08594	26.6
109.06503	6.8
109.10160	14.6
111.04427	2.4
111.05133	0.7
111.08070	1.9
115.03863	0.8
117.07020	9.9
119.07766	1.3
119.08578	15.9
120.94014	0.7
121.06521	2.6
121.10137	17.4
121.62619	0.7
122.10500	0.8
123.08070	6.2
123.11694	4.1
125.05973	1.8
125.09660	4.0
125.10471	0.7
127.03922	4.3
129.07016	2.2
131.08566	10.9
133.10115	8.0
135.08012	1.9
135.11696	16.7
137.09608	1.2
137.13252	1.1
139.11163	0.9
141.06978	0.7
143.08543	1.8
145.04964	4.8
145.06317	0.8
145.10115	16.7
147.07994	1.2
147.11687	5.0
149.09642	1.1
149.13249	5.5
151.11154	1.1
153.12723	2.6
155.08539	1.6
157.10107	1.5
159.11696	4.7
161.13229	3.8
163.06018	4.6
163.11177	20.3
163.14835	3.9
169.10129	1.0
171.11586	1.1
173.09621	2.9
173.13235	4.2
175.11215	1.1
175.14861	2.1
177.16409	1.1
181.12228	3.7
185.13293	0.9
187.14799	2.6
189.11209	3.2
189.12718	0.7
191.10707	2.2
193.12276	0.7
199.14911	0.9
209.11702	6.8
211.13252	1.8
215.17952	0.8
227.12755	11.8
229.55042	0.7
241.19370	0.8
243.21033	3.8
244.21405	0.7
259.20737	1.5
261.22174	12.2
262.22531	1.2
267.15912	3.0
268.16287	1.2
283.15390	100.0
284.15814	4.2
285.16824	0.9
285.78647	0.7
299.23706	4.5
317.24741	4.8
333.24216	1.8
335.25793	69.3
336.26111	3.1
433.30920	1.9
451.31815	3.6
469.33066	2.2
487.34067	1.4
515.37592	1.0
525.35614	5.2
543.36792	52.9
544.37213	6.3
561.37970	4.4
569.26111	0.8
895.38727	0.9
903.48883	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5084
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	1.8
66.66447	0.4
67.05505	31.3
68.05775	0.5
69.03387	1.5
69.07072	8.7
71.05000	2.6
71.08588	0.5
71.30372	0.8
73.02886	1.4
77.03951	0.6
79.05493	28.9
81.03407	2.8
81.07056	34.3
82.07362	0.7
82.96368	0.4
83.04980	2.9
83.08619	7.8
85.02914	2.5
85.06514	1.1
87.04495	0.5
91.03909	1.3
91.05479	14.2
93.07044	35.5
94.07329	0.7
95.04458	0.4
95.04975	5.2
95.08605	40.4
96.08901	1.0
97.02893	3.8
97.06525	3.6
97.10152	1.7
99.04449	2.9
103.05459	0.6
105.04448	1.3
105.06384	0.6
105.07030	9.2
107.04957	5.3
107.08592	25.0
108.08894	0.8
109.06487	1.6
109.09475	0.6
109.10156	9.6
111.04426	1.1
111.08030	1.1
113.06020	0.6
117.07023	7.7
119.07681	0.4
119.08575	11.0
121.06504	3.1
121.10136	16.7
123.08044	1.1
123.11695	3.0
125.05959	1.3
125.09547	0.6
130.07797	1.0
131.08582	4.1
133.10135	4.6
135.08031	1.9
135.11691	34.4
136.12009	1.1
137.09563	0.9
137.13206	0.7
139.07520	0.8
143.08624	0.6
145.10107	19.7
147.11638	2.0
149.09660	0.5
149.13269	3.4
153.12718	0.9
153.83575	0.5
157.10158	0.5
159.11719	2.6
161.13197	1.6
162.61461	0.4
163.05899	0.8
163.11180	41.8
163.14816	1.8
164.11546	1.1
173.13231	2.4
175.14767	0.8
177.16338	0.5
181.12219	7.1
187.14793	0.9
190.66718	0.4
193.12213	0.5
202.57202	0.4
203.36951	0.5
209.11617	1.1
227.12770	51.1
228.13097	1.6
233.22807	0.5
243.21031	2.1
261.22174	7.6
267.15906	0.6
283.15399	55.7
284.15802	2.9
299.23212	0.5
317.24756	2.2
335.25793	100.0
336.26151	6.2
347.43564	0.5
543.36792	94.4
544.37128	8.0
561.38147	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
63.74248	0.5
65.03933	3.2
65.84820	0.5
67.05502	57.5
68.05810	1.2
69.00505	0.5
69.03429	6.5
69.07066	12.8
69.32629	1.0
69.33036	2.3
71.04993	4.6
73.02925	2.9
77.03899	0.7
79.05489	46.3
80.05786	1.6
81.03415	50.0
81.07053	52.8
82.03680	0.6
82.07372	1.0
83.04977	13.5
83.08618	20.2
84.05314	0.6
85.02901	29.4
85.06503	2.2
91.03959	7.6
91.05477	42.1
92.05765	0.9
93.07039	43.5
95.04369	1.1
95.04962	21.4
95.08603	38.4
96.05296	0.6
96.08927	0.8
97.02288	0.6
97.02885	9.9
97.06521	5.8
97.10174	4.7
99.04411	1.0
99.08071	1.6
103.05411	0.8
105.04467	1.6
105.07026	28.3
106.07289	0.6
107.04962	5.7
107.07867	1.2
107.08588	23.9
108.08888	0.8
109.02847	0.8
109.06519	4.5
109.09454	0.9
109.10149	13.7
111.04417	2.2
111.07370	0.6
111.08075	8.9
113.05950	2.2
113.09639	0.5
115.03882	0.8
115.05406	1.9
117.06309	0.6
117.07014	6.1
117.56551	0.5
119.08578	23.6
120.08889	0.8
121.06467	1.4
121.10138	23.1
122.10435	0.8
123.08069	3.4
123.11717	5.5
125.09605	2.4
127.03924	3.1
128.06186	0.7
129.06142	0.8
129.07004	10.0
131.07561	0.8
131.08553	14.4
131.13943	0.5
133.06448	1.8
133.10124	15.1
135.08017	0.8
135.11682	10.1
137.09573	1.9
137.13226	1.2
141.06883	0.6
142.07741	2.3
143.08565	0.6
145.04892	2.1
145.10104	8.8
147.08002	2.4
147.11676	17.0
149.09612	5.1
149.13232	4.7
155.08522	1.0
157.08894	0.8
157.10129	12.8
159.11688	4.0
161.13257	3.2
163.05998	3.2
163.11176	1.3
163.14854	2.5
165.12724	2.6
169.10143	0.7
171.11655	1.4
173.13252	4.1
175.11171	10.3
175.14758	1.7
176.11514	0.6
177.16452	0.7
185.13277	0.9
187.14828	1.8
193.12234	33.3
194.12595	1.3
201.16331	0.9
211.13284	44.8
212.13603	1.5
227.12724	1.1
243.20966	2.4
249.14987	0.6
261.22144	10.9
262.22400	0.9
267.15903	12.0
268.16226	0.7
283.15628	0.6
285.16962	47.4
286.17297	2.5
299.23578	0.8
301.25327	0.7
307.81927	0.5
317.24835	2.8
335.25787	72.6
336.26120	5.9
435.32614	1.6
453.33594	2.1
471.34830	0.9
509.36130	0.7
527.37268	12.4
528.37634	1.5
545.38336	100.0
546.38702	11.3
621.53247	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	3.3
66.04742	0.7
67.05507	55.0
68.05853	0.9
69.03429	6.0
69.07068	14.4
69.27139	5.0
69.27467	1.1
71.04995	5.6
73.02926	3.5
77.03928	0.8
79.05495	48.4
80.05825	0.8
80.06257	0.6
81.03419	59.8
81.07059	56.0
82.03735	1.1
82.07419	1.0
83.04985	14.6
83.08194	0.4
83.08619	22.5
85.02907	32.8
85.06551	3.6
86.03254	0.8
87.04456	1.0
91.03967	9.0
91.05482	43.0
93.07047	44.0
94.07393	1.1
95.04362	1.3
95.04971	26.6
95.08607	35.1
97.02897	10.4
97.06520	4.6
97.10185	4.9
99.04449	1.2
99.08105	2.1
105.04500	1.2
105.07031	29.2
107.04964	6.4
107.08592	21.3
109.06509	5.7
109.10155	13.2
111.04459	2.9
111.08092	9.7
113.06012	2.5
113.09627	0.7
115.03918	0.7
115.05450	1.7
117.07006	5.9
119.08585	22.4
121.06513	1.7
121.10146	20.4
122.10506	1.0
123.08068	3.4
123.11691	3.8
125.09614	1.7
127.03918	3.2
127.07536	0.9
128.06230	1.1
129.06999	10.7
131.08571	16.3
133.06522	2.8
133.10139	14.2
135.08066	0.9
135.11688	7.5
137.09618	2.3
137.13297	1.4
142.07787	2.7
145.04933	3.7
145.10110	7.2
145.91147	0.7
147.08076	4.6
147.11679	17.8
149.09621	5.1
149.13229	3.8
155.08571	1.0
157.10114	12.1
159.11737	4.0
161.13312	2.8
163.06049	3.1
163.11206	0.9
163.14842	2.3
165.12733	3.2
169.10263	1.0
171.11632	1.3
173.13269	3.9
175.11172	13.9
175.14856	1.5
185.13376	0.7
187.14897	2.5
193.12248	39.9
194.09926	0.7
194.12637	1.3
201.16330	1.0
211.13293	76.0
212.13643	2.1
212.85349	1.0
227.12808	1.7
243.21149	2.9
261.22159	10.4
265.65842	0.7
267.15924	15.2
285.16974	78.1
286.17352	3.8
301.25461	1.0
317.24850	3.6
335.25800	75.1
336.26135	4.6
435.32501	2.5
453.33728	2.8
470.64963	0.7
471.34561	0.7
509.36462	1.0
527.37280	12.2
528.37671	1.6
545.38385	100.0
546.38690	13.1
609.41833	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09172	20.0
72.91722	2.4
79.39143	2.3
123.04491	4.5
127.03973	3.7
139.03841	4.0
163.03903	3.3
175.11978	4.6
183.49875	2.4
215.08743	2.4
218.55354	2.6
245.05002	2.8
256.59882	2.7
492.47922	2.6
521.59753	2.5
615.09143	10.6
617.00806	4.0
617.10382	26.8
735.11157	5.6
753.13086	4.9
905.16901	100.0
906.16241	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	0.3
67.05502	4.1
68.05846	0.4
69.03426	4.5
69.07079	0.9
69.49130	0.4
69.49536	0.9
71.01360	0.4
71.05001	0.6
73.02916	5.2
79.05492	3.1
81.03411	2.5
81.03767	0.2
81.07059	3.6
81.76553	0.3
82.07393	0.3
83.01340	0.4
83.05000	0.5
83.08643	0.7
85.02898	7.7
87.04476	0.6
91.03955	4.2
91.05480	1.6
93.07041	2.9
95.04980	0.8
95.08595	2.2
95.09044	0.2
97.02887	6.8
97.06497	0.3
99.04461	0.8
101.02381	2.0
103.03983	0.5
105.07054	1.4
107.08590	1.4
109.02906	1.1
109.10138	1.4
111.04459	0.2
115.03973	0.4
117.07005	0.4
119.08606	0.8
121.06475	0.2
121.10185	0.9
123.11720	0.5
127.03922	2.1
131.08603	0.4
133.10152	0.5
135.11729	1.0
139.69072	0.3
145.04967	0.5
145.10179	0.9
149.13249	0.3
163.11212	1.0
184.12297	0.2
185.04250	0.9
203.05344	0.8
211.13120	0.3
243.08368	1.7
267.15875	0.3
267.72720	0.2
285.17062	0.5
305.13687	0.4
317.85245	0.3
335.25854	0.6
337.27350	0.6
347.09375	1.6
363.09058	0.3
365.10703	0.7
395.20218	0.3
405.13599	4.6
467.18964	3.4
468.18988	0.3
503.28461	0.3
519.29272	3.9
547.39746	0.4
547.96155	0.3
548.40613	0.7
629.24182	3.2
653.33643	0.3
681.34601	8.4
682.35321	0.7
745.40997	1.7
907.46533	100.0
908.46906	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.466
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	2.1
69.03429	3.0
69.07077	0.6
69.22831	1.4
71.01343	0.3
71.05001	0.7
71.83383	0.2
73.02917	2.9
79.05485	1.8
81.03416	1.5
81.07047	2.3
81.51402	0.2
83.04997	0.4
83.08624	0.4
85.02898	5.3
90.48883	0.2
91.03956	2.6
91.05470	1.5
93.07037	2.0
95.04987	0.5
95.08611	1.6
97.02893	4.6
97.06537	0.3
99.04491	0.7
101.02361	2.0
101.02900	0.2
103.03947	0.4
105.07047	0.8
107.04955	0.4
107.08574	1.0
109.02916	0.7
109.06523	0.3
109.10167	0.7
110.00298	0.2
117.07038	0.3
119.08618	0.8
121.10170	0.8
123.08087	0.2
127.03928	1.3
131.08644	0.5
133.10188	0.5
135.11719	0.7
145.05008	0.4
145.10139	0.9
153.12805	0.3
163.11198	1.1
185.04320	0.6
203.05367	0.6
209.11896	0.3
243.08362	1.4
283.15521	0.3
305.13586	0.2
337.27380	0.2
347.09457	1.5
365.10687	0.7
405.13586	3.8
405.17993	0.3
467.18900	3.7
490.36435	0.3
519.29181	1.9
520.30103	0.2
547.40338	0.3
548.40240	0.5
566.40100	0.2
629.24133	6.8
630.24609	0.4
681.34595	4.3
682.35156	0.3
737.35602	0.3
745.40851	1.3
838.82434	0.3
878.00818	0.3
907.46545	100.0
908.46783	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	0.3
67.05502	4.1
68.05846	0.4
69.03426	4.5
69.07079	0.9
69.49130	0.4
69.49536	0.9
71.01360	0.4
71.05001	0.6
73.02916	5.2
79.05492	3.1
81.03411	2.5
81.03767	0.2
81.07059	3.6
81.76553	0.3
82.07393	0.3
83.01340	0.4
83.05000	0.5
83.08643	0.7
85.02898	7.7
87.04476	0.6
91.03955	4.2
91.05480	1.6
93.07041	2.9
95.04980	0.8
95.08595	2.2
95.09044	0.2
97.02887	6.8
97.06497	0.3
99.04461	0.8
101.02381	2.0
103.03983	0.5
105.07054	1.4
107.08590	1.4
109.02906	1.1
109.10138	1.4
111.04459	0.2
115.03973	0.4
117.07005	0.4
119.08606	0.8
121.06475	0.2
121.10185	0.9
123.11720	0.5
127.03922	2.1
131.08603	0.4
133.10152	0.5
135.11729	1.0
139.69072	0.3
145.04967	0.5
145.10179	0.9
149.13249	0.3
163.11212	1.0
184.12297	0.2
185.04250	0.9
203.05344	0.8
211.13120	0.3
243.08368	1.7
267.15875	0.3
267.72720	0.2
285.17062	0.5
305.13687	0.4
317.85245	0.3
335.25854	0.6
337.27350	0.6
347.09375	1.6
363.09058	0.3
365.10703	0.7
395.20218	0.3
405.13599	4.6
467.18964	3.4
468.18988	0.3
503.28461	0.3
519.29272	3.9
547.39746	0.4
547.96155	0.3
548.40613	0.7
629.24182	3.2
653.33643	0.3
681.34601	8.4
682.35321	0.7
745.40997	1.7
907.46533	100.0
908.46906	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.3
67.05502	3.4
69.03430	4.5
69.07076	0.5
71.01364	0.8
71.04993	0.7
73.02920	4.5
79.05497	3.0
79.05955	0.2
81.03421	2.6
81.07056	3.3
83.04381	0.2
83.04984	0.8
83.08635	0.6
85.02906	7.9
85.49094	0.2
87.04482	0.6
91.03954	4.8
91.04520	0.3
91.05488	2.1
92.05809	0.2
93.07044	2.3
95.04960	0.9
95.08606	2.2
95.09064	0.2
97.02895	7.2
97.06587	0.3
98.09441	0.2
98.23362	0.5
99.04456	1.0
103.03937	0.3
105.07025	1.5
107.08593	1.7
109.02885	0.9
109.06571	0.3
109.10152	0.9
111.08080	0.2
115.03968	0.8
119.08575	1.3
121.10178	0.9
123.11724	0.4
127.03918	1.9
129.05481	0.2
129.07024	0.4
131.08569	0.6
133.10168	0.8
135.11726	0.7
142.71805	0.2
145.04955	0.5
145.10144	0.4
147.11758	0.5
149.13344	0.3
159.11726	0.2
175.11200	0.3
185.04277	0.9
193.12251	0.5
201.03818	0.3
203.05374	0.6
211.13261	0.2
229.72833	0.3
243.08403	2.2
251.12735	0.7
259.08044	0.2
305.08527	0.4
307.15314	0.5
335.25983	0.6
347.09473	2.1
352.37027	0.2
363.08966	0.4
365.10562	1.0
405.13678	5.1
405.18796	0.3
406.14078	0.4
419.78162	0.2
441.64288	0.2
466.53931	0.2
469.20462	3.8
470.20786	0.4
519.29327	4.9
519.36523	0.4
520.29865	0.5
539.99475	0.2
631.25677	3.3
632.26215	0.3
681.34485	8.2
682.34851	0.9
721.37561	0.3
739.38263	0.4
747.43048	1.9
763.53638	0.3
791.66760	0.2
909.48077	100.0
910.48456	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00867	0.2
67.05509	2.1
69.03432	3.4
69.07069	0.4
69.32529	0.4
69.32914	1.2
71.01352	0.3
71.05008	0.5
73.02919	3.1
79.05499	1.8
79.78399	0.2
81.03413	2.6
81.07051	2.1
83.04991	0.4
83.08617	0.6
85.02904	5.5
86.27261	0.2
87.04494	0.3
91.03955	2.7
91.05473	2.1
91.05911	0.2
93.07026	1.6
95.04993	0.5
95.08611	1.2
97.02895	4.6
99.04493	0.8
105.07059	0.9
107.05000	0.2
107.08627	0.7
109.02904	0.6
109.10191	0.4
111.08121	0.3
115.03951	0.4
117.07085	0.2
119.08597	1.0
121.10175	0.7
127.03859	1.0
129.07069	0.5
131.08609	0.6
133.10156	0.6
135.11719	0.3
145.04997	0.3
145.10220	0.3
147.11707	0.5
157.10139	0.5
175.11285	0.2
185.04276	0.6
193.12383	0.6
194.98111	0.2
203.05412	0.6
211.13403	0.4
243.08389	1.4
251.12640	0.7
259.08173	0.2
307.15381	0.5
335.26193	0.3
347.09549	1.6
363.09143	0.5
365.10791	0.7
405.13647	3.4
406.13733	0.3
469.20505	4.5
470.20926	0.4
519.29193	2.5
520.29791	0.3
631.25696	6.5
632.26117	0.6
681.34753	3.3
682.34497	0.3
747.42902	1.1
823.42017	0.4
909.48083	100.0
910.48425	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5734
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	1.3
67.05508	15.5
69.03439	3.2
69.07060	7.8
69.25053	7.3
71.04991	1.8
71.08636	17.2
73.02916	3.3
75.27333	0.8
78.05527	0.9
79.05499	15.1
81.03417	35.3
81.07059	22.5
83.04978	8.4
83.08619	17.4
85.02906	20.6
85.03423	1.1
85.06530	1.1
85.10188	10.3
89.06002	1.0
91.03968	5.2
91.05481	15.1
93.07040	9.7
95.04967	14.3
95.08608	15.4
97.02876	6.0
97.06539	2.9
97.10133	6.4
98.22588	1.5
99.08082	1.1
105.07038	9.8
107.04964	3.4
107.08587	4.4
109.06522	2.9
109.10153	6.4
111.08083	5.7
111.11771	0.8
113.06046	1.4
119.04950	0.9
119.08593	10.5
121.06512	1.0
121.10147	5.1
122.69801	0.8
123.08044	1.1
123.11720	3.2
125.09602	1.1
125.91200	0.9
127.03928	2.3
129.07027	7.3
131.08546	5.5
133.10124	8.6
137.09608	1.0
142.07784	1.2
145.04979	2.6
145.10092	1.5
145.59778	0.8
147.08043	2.0
147.11679	9.4
149.09642	3.5
157.10109	8.3
163.05997	2.5
163.11118	1.0
165.12775	2.3
175.11176	10.8
193.12231	27.2
194.12473	1.1
211.13292	46.0
212.13733	1.9
227.76106	0.9
267.15903	18.2
267.26910	1.0
285.16974	64.3
285.27951	1.1
286.17227	2.8
341.30499	66.5
342.30884	3.8
533.41992	15.4
534.42194	2.5
551.43036	100.0
552.43555	10.3
720.01630	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.459
Annotation	Unknow
Peak:m/z	Relative Intensity
63.93953	0.6
70.89283	1.5
81.07105	0.8
81.71629	0.7
135.69740	0.7
152.56017	0.7
194.95946	0.8
430.16550	0.7
468.13629	1.2
469.14850	5.8
470.16013	2.1
471.16483	1.3
481.15112	1.3
482.16003	5.7
483.16406	5.3
484.17282	3.0
495.16742	2.5
496.17416	5.0
497.18222	28.8
498.18692	7.0
500.18491	0.9
510.18961	1.4
511.13010	1.0
511.19632	4.5
512.20789	2.0
515.19281	1.3
528.16064	1.4
541.17529	1.2
542.18268	1.2
555.18658	2.4
556.19818	3.2
557.20117	3.5
616.21729	2.5
617.23236	1.0
630.23804	1.1
643.23932	11.2
644.24658	13.1
644.34772	1.1
645.24957	3.3
657.25854	8.9
658.26227	0.9
660.24054	1.2
675.26611	100.0
676.26849	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.568
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.3
67.05507	14.9
68.83698	0.6
69.03404	1.6
69.07070	6.9
71.01330	0.9
71.04949	1.8
71.08632	23.3
73.02903	1.5
79.05494	9.4
81.03418	67.9
81.07053	19.7
83.04969	3.6
83.08161	1.3
83.08617	20.6
85.02904	5.5
85.06532	1.0
85.10186	13.7
89.06006	2.0
91.03964	4.2
91.05477	13.2
93.07040	5.9
95.04973	21.3
95.08604	19.7
97.02877	5.6
97.06505	1.8
97.10183	5.5
98.22530	1.2
99.04440	0.8
99.11700	1.0
103.07564	1.5
105.07027	10.7
107.04948	5.0
107.08597	3.1
109.06477	2.7
109.10155	8.1
111.04427	1.0
111.08078	5.3
111.11666	1.0
115.05427	0.7
117.06965	1.2
119.04951	0.8
119.08583	9.6
121.06465	2.4
121.10168	3.7
123.04398	2.6
123.08012	1.4
123.11691	3.5
127.03869	0.9
129.06993	8.2
131.08563	5.7
133.06467	1.8
133.10129	4.4
137.05910	0.8
137.09610	0.9
137.13243	1.9
142.07758	2.6
145.04922	2.3
145.10136	1.5
147.08022	2.1
147.11693	5.5
149.09615	4.3
157.10104	7.6
163.06006	2.7
163.11165	1.6
165.12750	1.5
173.09703	0.7
175.11166	7.2
183.52960	0.6
189.12843	0.7
193.12245	25.5
211.13287	1.1
228.78461	0.6
235.13239	1.2
239.23682	1.9
249.14885	1.7
257.24768	2.6
259.13364	1.7
267.15906	97.8
268.16293	4.9
273.14731	1.5
275.26093	0.7
301.14401	2.5
309.16898	2.7
313.27353	100.0
314.27856	5.2
319.15338	0.7
393.19235	0.8
449.22723	0.7
505.38852	81.1
506.39163	8.2
523.40015	0.8
547.40045	4.8
601.41064	2.2
609.59198	0.7
613.40851	2.2
631.41772	1.7
864.88251	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.6
66.16012	0.8
67.05505	1.6
68.99784	11.4
70.28991	1.6
70.29387	1.3
71.07651	0.8
78.19825	0.7
81.03417	4.8
83.04979	1.2
91.05470	1.1
95.04968	2.6
100.29701	0.8
105.03383	3.2
105.07050	0.8
107.04948	1.4
109.02875	9.4
111.00813	11.9
111.04445	2.5
115.05437	0.8
119.04958	2.1
119.42017	0.8
121.02879	2.7
123.03534	1.4
123.04429	22.6
127.03915	64.6
128.04216	1.1
131.04942	0.9
133.02849	5.1
135.04417	3.2
136.07054	0.7
137.02319	1.4
137.05997	1.0
139.03900	91.2
140.04254	2.7
141.05411	0.7
145.06506	1.1
147.04379	7.7
149.02306	5.6
149.06000	1.1
150.03192	1.3
151.03903	59.3
152.04326	1.9
153.01794	1.7
153.05446	1.7
155.03389	14.9
155.04698	1.2
156.03693	0.8
157.06500	1.0
159.04424	1.4
161.02344	0.8
161.05997	3.2
163.03912	10.8
165.01901	0.9
165.05481	3.3
167.03432	3.0
169.04953	2.3
171.04425	2.3
173.05998	2.6
175.03911	12.0
177.01886	1.2
177.05492	8.5
179.03394	50.6
180.03644	1.3
181.04968	3.2
185.05988	2.4
187.03920	1.3
189.05475	6.1
191.03392	10.0
193.04950	3.4
197.05939	0.9
199.03891	5.0
201.05421	5.0
203.03378	20.9
205.04910	1.6
211.03807	1.2
213.05464	6.6
213.88690	0.8
214.05608	0.8
215.03435	1.8
217.04984	7.8
219.02908	0.9
221.04343	1.2
223.02408	3.8
225.05435	1.1
227.03345	1.5
229.04948	8.0
231.02879	1.0
231.06468	2.4
233.04381	5.5
235.06230	1.0
241.05002	4.7
245.04453	100.0
246.04730	3.5
247.02184	1.0
247.05951	4.1
253.04999	1.6
257.04428	18.2
258.04874	1.8
259.05963	4.1
261.04068	1.0
263.05502	37.2
264.05920	1.3
269.04468	5.4
270.04871	1.1
271.05936	3.4
271.22568	0.7
275.05487	25.9
276.05865	1.4
277.07092	6.8
279.06650	1.2
280.13654	0.8
281.04428	2.6
283.05963	1.1
285.03946	1.9
287.05484	52.9
288.05792	2.9
289.07068	2.3
295.05954	1.6
297.04004	1.5
299.05530	13.0
300.05899	1.0
305.06549	24.4
306.07040	1.5
307.08249	7.5
309.03928	2.0
311.05414	1.6
313.07059	0.9
317.06549	19.3
318.06769	1.0
321.04025	0.9
321.07553	1.0
322.08041	1.0
323.05389	2.0
349.07251	1.4
351.04861	2.1
361.06870	1.2
363.05084	0.9
377.06561	2.2
381.05908	1.1
393.05896	3.6
395.07477	2.0
399.06982	1.2
405.06146	4.7
407.07748	1.2
411.06894	1.4
413.08911	5.2
419.07840	1.0
423.07129	17.8
424.07321	1.3
425.08658	13.9
426.09286	0.9
435.07156	4.5
437.08389	1.4
441.08179	9.6
443.09717	25.6
444.09891	1.0
453.08133	2.4
465.08008	2.0
467.09866	1.7
543.09216	1.6
549.10162	1.1
561.10150	3.8
567.11102	2.1
573.10095	1.3
609.12012	1.1
641.79688	0.7
729.14221	1.3
747.14734	1.5
829.37042	0.8
932.68439	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5471
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	1.6
66.57265	0.5
67.05502	44.8
68.05817	0.7
69.03418	3.2
69.06680	0.6
69.07063	10.5
69.16225	4.0
71.01357	1.0
71.04986	1.3
71.08629	20.6
73.02904	2.4
75.04467	0.8
79.05490	12.4
81.03416	4.5
81.07052	23.6
82.56160	0.5
83.04977	4.0
83.08616	13.1
85.02899	17.9
85.06528	1.5
85.09718	0.5
85.10172	12.1
87.04464	3.8
89.06046	1.6
91.03947	4.8
91.05470	6.2
92.05791	0.5
93.07047	5.5
95.04952	1.9
95.08599	21.2
97.02878	7.0
97.06506	1.4
97.10160	16.9
98.10500	0.8
99.08087	0.8
101.02393	0.7
103.03926	1.3
103.07571	1.5
105.07033	1.4
107.04958	2.0
107.08585	6.8
109.02864	0.8
109.06570	0.6
109.10150	36.4
110.10481	1.1
111.04433	1.6
111.08064	1.5
111.11712	0.9
117.07029	0.8
117.09087	0.7
119.08566	3.4
121.10148	2.7
122.29552	0.7
123.08095	0.8
123.11684	3.1
125.09632	15.2
127.03946	2.7
131.08563	1.4
133.10091	1.3
135.11679	2.1
137.09592	1.2
137.13190	0.7
143.10680	3.4
145.04951	2.6
145.10110	2.1
147.08069	0.7
149.09557	0.9
149.13239	0.6
153.12717	1.4
155.10660	3.0
163.06027	2.2
163.11179	2.7
173.11731	10.8
173.13213	0.3
181.12210	0.7
191.10678	2.4
193.12340	0.7
199.13284	10.3
209.11734	6.2
217.14340	0.9
227.12738	6.2
229.14337	51.7
230.14656	1.3
239.23695	5.2
241.14369	0.7
257.13925	0.7
257.24786	1.9
264.03946	0.6
267.15933	2.2
283.15366	5.1
299.14960	1.2
300.15268	0.8
301.16437	24.1
302.17010	1.2
313.27338	100.0
314.27615	6.4
314.33780	0.9
341.26797	2.3
437.36255	5.8
455.37308	14.0
456.37375	0.6
463.21323	0.7
467.37280	31.1
468.37448	2.6
505.38528	0.7
521.38226	2.9
528.27771	0.6
539.39441	13.0
540.39612	1.6
557.40149	1.7
701.44659	0.7
917.49420	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.3
67.05506	52.5
68.05851	1.2
69.03423	3.4
69.07068	11.5
71.01373	1.0
71.04994	2.9
71.08632	18.2
73.02917	2.2
75.04508	1.0
75.98215	0.9
79.05489	12.4
81.03413	5.4
81.07056	24.9
81.07525	1.6
83.04965	3.8
83.08624	13.5
85.02908	18.8
85.03425	1.0
85.06554	1.7
85.10178	11.2
87.04470	4.4
89.06024	2.3
91.03970	4.6
91.05485	8.5
93.07047	10.0
95.04975	3.7
95.08607	20.0
97.02875	5.8
97.06546	2.1
97.10166	17.9
98.22618	1.5
98.23302	2.7
99.04459	1.1
105.07048	3.3
107.04939	1.8
107.08591	9.1
109.06581	0.8
109.10154	38.2
111.04470	2.5
111.08070	2.6
115.03966	0.8
117.07015	2.5
119.08573	4.6
119.09328	0.9
121.10149	3.4
123.08097	0.8
123.11719	2.2
125.09635	14.6
127.03923	1.8
129.06993	1.0
131.08574	2.0
133.10150	2.7
135.11693	2.2
137.09554	1.4
137.13277	1.9
143.10683	4.2
145.04950	1.9
145.10149	2.4
147.08022	0.9
153.12738	1.6
155.10669	2.3
163.05963	2.0
163.11211	2.6
173.09525	0.9
173.11745	8.9
177.12698	0.8
178.90517	0.8
180.75883	0.8
181.12314	1.6
189.11252	1.2
191.10728	1.6
199.13281	10.1
207.11674	0.8
209.11720	8.0
217.14378	1.3
221.22681	0.9
223.13356	2.3
227.12810	8.0
229.14346	53.1
230.14685	2.3
232.23074	0.9
235.70001	0.7
239.23621	3.8
257.13879	1.3
257.24661	1.7
262.90607	0.8
267.15887	1.5
283.15381	6.4
297.16940	5.1
299.15018	1.7
300.15182	0.9
301.16458	27.5
302.16937	1.1
313.27353	100.0
314.27673	4.7
335.25772	4.4
341.26840	1.2
437.36188	5.3
438.36542	1.0
455.37292	12.8
456.37872	1.3
467.37338	32.7
468.37326	2.0
489.35626	1.8
521.38300	3.6
539.39532	15.2
540.39398	1.6
557.39325	5.0
701.44293	1.5
772.15027	0.9
825.24768	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	1.0
65.64340	0.8
67.05502	16.6
69.03417	3.1
69.07070	4.2
69.78522	0.8
69.78834	4.0
71.04985	2.5
75.09043	0.8
79.05490	20.6
81.03416	45.7
81.07057	17.8
81.37238	0.8
82.03780	0.7
83.04977	5.2
83.08618	15.1
85.02892	2.8
85.06526	1.4
91.05481	15.9
93.07040	15.1
95.04962	18.2
95.08606	8.7
97.02876	2.8
97.06516	3.2
97.10167	14.2
105.07029	11.3
107.04943	12.7
107.08591	7.5
109.06509	8.2
109.10159	4.4
111.04420	1.4
111.08099	4.7
115.05406	1.2
117.07025	6.0
119.04915	1.2
119.08585	9.9
121.06492	8.5
121.10117	5.8
123.04423	1.8
123.08026	4.1
125.09630	11.2
129.07010	6.7
131.04953	1.6
131.08578	8.4
133.06461	3.8
133.10120	3.6
135.08063	5.4
135.11668	2.1
135.82246	0.9
137.09566	1.4
141.06960	1.2
142.07771	1.7
143.08556	2.0
145.06485	4.6
145.10123	3.7
147.04419	1.4
147.08040	5.0
147.11719	4.6
149.09648	4.5
153.09097	1.8
155.08553	2.3
157.06519	2.0
157.10135	6.0
159.07996	1.1
159.11629	1.3
161.05966	1.9
161.09593	1.7
163.11119	3.5
165.12831	1.4
169.10036	1.2
171.08076	1.1
171.10085	1.0
171.11565	0.9
173.09561	1.4
173.13264	1.7
175.11166	5.6
181.10219	1.3
183.08072	0.9
183.11801	0.8
185.09639	1.7
187.11252	1.0
187.14723	0.9
189.11169	4.8
189.12770	1.9
191.14328	1.7
193.12228	15.8
194.12492	0.9
195.11612	1.2
197.13213	1.8
199.11250	2.1
199.13226	1.2
205.12161	1.9
210.37000	0.9
211.13173	1.2
213.12756	1.0
215.14270	1.2
217.12173	1.5
219.13832	2.2
223.11150	1.2
223.13214	1.2
227.12677	2.6
231.13847	1.5
233.15359	2.3
235.13110	1.8
237.12741	1.3
241.14250	1.0
245.15291	1.8
249.14804	1.2
255.13780	1.2
259.13367	0.9
267.15912	46.7
268.16275	3.4
273.14801	7.4
273.17328	1.1
293.17365	0.8
309.17010	1.6
339.23282	1.7
349.21527	3.3
357.24265	1.7
367.22672	12.9
368.22955	1.4
385.23715	22.3
386.23843	1.5
403.24802	7.5
441.26337	8.1
454.10699	1.0
459.27408	100.0
460.27747	11.3
477.28464	94.5
478.28802	10.2
491.29910	11.4
492.30176	0.9
501.28409	5.4
509.31265	4.2
510.31833	0.9
513.27728	1.1
531.29041	1.5
539.24463	1.0
543.29468	1.0
552.62628	0.9
555.29272	1.8
567.30035	4.8
585.30804	1.7
605.48694	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	3.9
67.05505	35.5
69.03419	2.4
69.06728	2.0
69.07071	24.1
70.33080	3.7
70.33424	1.6
71.04987	5.0
73.10264	1.3
75.05547	1.6
79.05494	36.8
81.03419	37.6
81.07056	49.8
83.04981	8.5
83.08619	16.1
85.02907	17.2
85.06550	1.8
91.03941	1.4
91.05479	54.3
93.07045	28.9
95.01324	6.8
95.04968	20.8
95.08606	23.2
95.09171	2.5
97.02893	3.5
97.06535	24.8
97.10198	2.5
103.05473	1.7
105.07030	67.2
105.28048	1.2
107.04952	18.9
107.08586	14.4
109.06552	6.0
109.10162	6.5
111.04422	2.4
111.08093	6.5
113.06040	2.1
115.05420	2.2
117.07026	11.6
119.07773	2.5
119.08586	39.4
119.09434	1.9
121.06503	3.7
121.10149	11.7
123.08046	3.2
123.11719	1.7
125.09555	1.7
127.03890	1.7
129.07024	8.3
131.08565	20.3
133.06480	2.2
133.10130	31.8
135.08107	2.2
135.11658	6.4
137.09634	2.9
141.07030	1.4
142.07774	1.7
143.08591	2.8
145.06406	2.2
145.10114	12.9
147.08014	2.6
147.11690	20.0
149.09599	9.3
149.13243	3.5
151.11124	2.0
155.08554	1.4
157.10127	8.8
159.08212	1.4
159.11653	8.3
161.13281	3.2
163.11162	4.4
165.09114	2.3
165.12808	1.7
169.10126	1.5
171.11699	2.7
173.13390	1.9
175.11232	8.2
177.12741	2.9
179.14343	9.1
183.11703	1.8
187.11168	3.5
193.12224	21.7
211.13303	20.4
243.75189	1.3
257.18973	5.5
267.15900	31.0
267.18756	1.8
268.16370	1.5
275.20074	64.6
276.20660	2.8
285.16946	57.4
286.17316	3.0
293.21191	4.7
349.23734	34.3
350.24008	3.0
393.77277	1.2
541.35199	60.4
542.35376	5.7
559.36285	100.0
560.36603	8.7
577.37183	1.8
703.40161	2.1
869.79675	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03899	0.2
67.01838	0.2
68.99772	0.4
69.03433	1.0
69.22784	1.0
71.01320	0.3
71.04992	10.6
73.02922	0.9
75.04436	0.7
75.71761	0.2
78.38887	0.2
81.03392	0.4
83.04980	2.2
85.02901	15.7
86.03242	0.2
87.04442	0.3
91.03971	1.0
93.03438	0.2
95.04941	0.2
97.02893	1.4
97.06459	0.2
98.23373	0.3
99.04420	0.4
109.02831	0.6
111.00753	0.7
111.04428	1.8
117.05503	0.3
121.02845	1.3
122.84391	0.2
123.04440	0.2
127.03912	0.9
129.05473	4.6
133.02808	0.2
135.04431	0.2
137.02324	2.8
145.04892	0.5
147.06526	1.8
149.02347	0.4
153.01810	2.9
153.05438	0.3
157.04816	0.2
157.06514	0.2
161.06001	0.3
163.03880	0.4
163.06010	0.6
165.01810	1.7
171.06477	0.3
173.05954	0.3
183.02815	0.8
183.04321	0.3
187.03801	0.2
191.03293	0.2
195.02925	0.4
201.05550	0.9
201.07195	0.2
205.04854	0.2
213.05595	0.4
213.07561	0.2
219.02892	0.2
219.06578	0.2
229.04985	2.6
230.05472	0.2
231.06480	0.2
239.09123	0.6
244.01271	0.2
247.05965	0.7
255.08688	0.3
257.04480	2.1
258.05219	0.4
273.10251	0.2
274.04727	0.5
275.05466	0.3
285.03873	1.3
287.05484	24.6
288.05823	0.9
293.12311	0.2
299.05753	0.3
303.04965	100.0
304.05270	4.5
315.04880	0.7
318.32877	0.2
327.04904	0.4
329.06516	0.4
341.06525	0.3
345.06119	1.3
353.06552	0.3
367.27255	0.2
369.06009	0.6
395.07578	0.2
413.08743	0.6
431.09579	0.5
447.08966	0.2
449.10739	6.1
450.11273	0.4
465.10281	27.3
466.10489	1.5
484.75662	0.2
611.15594	0.8
627.15546	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.523
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	1.4
67.15225	0.2
67.25365	0.2
69.03427	2.7
69.07070	0.6
69.11301	2.0
71.01374	0.5
71.05006	0.8
71.08636	0.6
73.02917	2.6
79.05490	1.2
79.67207	0.2
81.03410	2.5
81.07056	2.0
83.04994	0.4
83.08641	0.9
85.02909	5.0
85.10200	0.8
87.04482	0.4
91.03962	2.4
91.05482	1.2
92.61930	0.2
93.07059	1.0
95.04994	0.6
95.08624	1.6
97.02898	4.7
97.06582	0.3
98.22757	0.8
99.04488	0.7
101.02374	1.3
103.03938	0.2
105.07063	0.8
107.08597	0.6
109.02904	0.7
109.06547	0.3
109.10168	0.6
115.03967	0.3
119.08607	0.5
121.10181	0.9
127.03925	1.5
129.07008	0.4
130.37097	0.2
131.08597	0.5
133.10173	0.6
144.00168	0.2
145.05067	0.4
147.11719	0.8
148.32614	0.3
149.09668	0.8
157.10124	0.6
175.11266	0.5
185.04208	1.0
193.12395	0.6
197.15347	0.5
201.03641	0.2
203.05334	0.5
225.14946	0.8
231.39528	0.2
243.08427	1.8
283.15146	2.2
313.27527	0.6
339.17911	0.7
347.09531	1.9
365.10693	1.0
393.52921	0.3
405.13666	5.0
405.18927	0.3
421.13501	0.3
469.20551	0.4
497.30890	4.1
498.31223	0.3
501.23053	6.5
502.23682	0.5
546.27258	0.2
659.35956	4.6
660.36560	0.4
663.28357	7.2
664.28839	0.6
757.46655	1.9
758.47662	0.5
919.52283	100.0
920.52643	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.523
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	1.6
67.81784	0.6
69.03419	3.6
69.07072	0.8
71.05018	0.8
71.10696	1.2
73.02919	3.4
75.67014	0.7
77.31999	0.8
79.05489	1.3
81.03433	3.1
81.07058	1.6
85.02924	5.8
89.35327	0.7
91.03970	2.2
91.05494	1.9
93.07051	0.9
95.04977	0.7
95.08607	1.9
97.02897	4.3
99.04479	0.7
100.56912	0.7
101.02415	2.0
105.07057	0.7
109.10148	0.9
111.64370	0.7
112.74696	0.7
119.08572	0.9
121.10186	1.3
127.03873	0.9
127.43765	0.8
133.10242	0.7
140.22845	0.7
149.09677	1.2
193.12326	0.9
203.05226	0.9
218.12845	0.7
238.63133	0.7
243.08490	2.6
283.15317	2.1
313.27402	0.8
334.13702	0.7
347.09662	2.5
365.06519	0.7
365.10684	1.7
369.75571	0.8
405.13644	6.7
497.30841	3.4
501.23123	8.8
659.35803	6.3
663.28442	8.9
741.09857	0.8
757.47095	2.4
919.52295	100.0
920.52527	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5211
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	3.6
67.05507	54.4
67.05842	4.8
69.03423	4.8
69.07070	19.1
71.05000	7.5
79.05496	61.7
81.03416	51.3
81.07057	48.7
83.04988	9.3
83.08615	21.2
85.02910	29.1
85.06551	6.3
89.20916	2.7
91.03952	4.3
91.05486	79.3
93.07042	65.0
94.07371	3.1
95.04971	26.2
95.08599	31.5
97.02921	6.4
97.06546	6.2
97.10170	8.4
99.04433	3.0
105.07034	80.9
107.04960	8.3
107.08601	32.9
109.06515	6.8
109.10147	12.5
111.08079	7.9
115.05457	4.9
117.07033	19.8
119.08582	67.2
121.10142	27.0
123.08071	3.6
123.11705	3.9
127.03941	3.6
129.07005	20.7
131.08569	34.7
133.06573	2.6
133.10133	50.0
135.08040	5.9
135.11699	16.0
137.05965	32.0
137.09607	4.4
138.06337	9.1
142.07776	4.2
143.08594	12.3
145.04955	4.1
145.10139	24.9
147.08064	4.3
147.11696	49.9
149.09625	7.2
149.13290	10.4
155.08568	3.8
157.10149	25.6
159.11679	18.0
161.09612	2.7
161.13260	25.6
163.11189	3.8
163.14909	3.2
165.12764	4.0
167.34413	2.6
171.11678	15.8
173.13281	13.2
175.11171	13.1
175.14841	11.1
183.11763	5.3
185.13339	9.6
187.14912	4.1
193.12247	42.1
195.11761	3.4
197.13350	2.7
199.14827	7.2
211.13303	46.2
211.15149	3.9
213.16490	3.8
231.21143	7.6
241.19556	24.2
257.19037	3.7
259.20575	83.2
260.20953	5.5
261.22125	3.0
267.15884	23.3
277.21658	3.8
283.15457	3.2
283.20474	3.4
285.16962	48.3
297.22321	2.8
315.23178	10.7
333.24252	60.8
334.24445	6.1
335.25775	3.2
401.70203	2.2
433.30786	8.8
451.31915	10.7
507.34488	5.7
515.37561	3.1
525.35815	35.1
526.36420	5.8
543.36829	100.0
544.37103	8.1
561.36835	3.0
597.36237	2.8
669.39923	3.7
687.41071	4.8
921.42566	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	4.3
67.05502	64.9
68.05826	1.0
69.03423	6.5
69.07067	14.1
71.01337	1.3
71.04988	4.0
71.30223	0.9
73.02914	11.1
77.03905	1.0
78.16709	0.7
79.05492	50.8
80.05832	0.7
80.06268	1.7
81.02988	1.2
81.03419	18.8
81.07054	58.6
82.04198	3.8
83.04976	14.4
83.08614	12.3
84.05765	1.0
85.02902	19.3
85.06533	3.0
87.04457	1.0
91.03954	10.6
91.05478	36.5
93.07041	49.4
94.04192	0.8
94.07812	2.2
95.04964	17.0
95.08604	39.7
96.04469	0.9
97.02885	12.8
97.06535	7.8
97.10169	13.4
98.07300	5.8
99.04445	2.4
99.08078	2.1
101.02379	1.0
101.06030	1.3
103.05444	1.0
105.04515	1.8
105.07022	25.1
107.04965	4.6
107.08592	33.5
109.02863	1.0
109.06507	5.0
109.10152	20.6
111.04428	2.2
111.08051	5.4
113.05986	0.9
115.05430	0.9
116.03938	1.3
116.04700	16.2
116.06158	0.6
117.05569	0.8
117.07017	9.6
119.08576	20.1
121.06504	2.9
121.10143	20.2
123.08076	6.3
123.11718	5.7
125.09628	17.4
127.03896	4.3
127.07581	0.8
129.05482	40.4
129.06941	7.2
130.07718	1.1
131.08559	15.7
133.06512	1.2
133.10121	15.9
135.08051	2.5
135.11679	14.4
136.08824	0.9
137.09596	3.7
137.13222	1.4
139.11096	1.1
141.06981	0.8
142.07787	1.0
143.07039	9.9
143.08563	2.5
143.10663	1.0
145.04950	5.5
145.06444	1.1
145.10109	12.5
146.10927	0.7
147.08058	1.6
147.11693	13.0
149.09590	2.9
149.13289	6.4
151.11206	0.9
153.09038	1.3
153.12729	2.0
155.07201	0.9
155.08478	1.7
156.09268	0.8
157.08594	17.9
157.10088	5.8
159.11713	6.4
161.09604	0.8
161.13213	5.3
163.06052	3.7
163.11148	4.6
163.14810	3.1
165.12732	1.7
169.10120	1.5
171.10159	6.0
171.11703	2.0
173.09613	1.0
173.11729	2.2
173.13260	5.8
175.11200	3.8
175.14828	2.2
177.12767	1.3
177.16319	0.9
181.12222	1.2
183.11720	0.9
185.11707	1.5
185.13234	1.6
187.14801	2.9
189.11238	9.4
191.10605	1.2
191.14252	0.9
193.12210	8.5
199.13292	4.0
199.14873	1.0
200.14091	2.9
201.16286	0.9
209.11679	1.1
210.12427	0.8
210.19870	0.7
211.02747	0.7
211.13255	5.2
217.14230	0.8
227.12755	11.6
229.14316	3.3
231.17532	0.7
241.19418	0.9
243.21046	4.7
255.16045	0.8
259.20581	2.6
261.19409	1.0
261.22162	11.5
262.22565	1.5
267.15887	4.8
269.17352	1.1
277.21680	4.4
283.15472	3.3
283.18469	0.6
285.16946	2.2
291.19504	0.8
301.16437	100.0
302.16901	4.2
315.23138	1.7
317.24796	2.2
327.23279	0.8
333.24130	0.8
335.25787	65.5
336.26013	3.6
351.25238	1.3
389.26819	1.0
435.32220	0.8
451.31873	1.0
453.33371	0.9
469.33249	1.0
487.34161	1.0
527.37579	6.2
543.36731	3.2
545.38239	3.0
561.37823	49.1
562.38043	4.9
579.38574	1.0
662.58203	0.7
814.29120	1.0
918.48627	0.8
921.49805	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.521
Annotation	Unknow
Peak:m/z	Relative Intensity
64.24854	0.9
64.74206	1.0
65.03933	3.0
67.05505	64.3
69.03421	4.9
69.06723	1.6
69.07066	18.2
71.04996	4.8
71.30212	1.7
71.91844	1.1
73.02920	9.6
74.03059	1.0
79.05492	59.0
81.03419	16.7
81.07056	61.4
82.04221	4.9
83.04986	11.2
83.08617	14.4
85.02901	21.2
85.06543	3.4
87.04441	1.6
91.03961	8.7
91.05479	38.2
92.05773	1.4
92.06290	1.1
93.07042	56.6
95.04963	13.6
95.08604	43.0
97.02888	11.2
97.06543	9.2
97.10165	14.2
98.07308	4.3
99.04454	1.6
99.08084	2.6
101.06008	1.1
105.04528	1.1
105.07034	26.0
107.04932	5.7
107.08591	32.5
109.02914	1.4
109.06519	4.5
109.10149	18.8
110.00962	1.0
110.07220	1.0
111.04447	3.2
111.08088	4.6
113.06033	1.4
115.03941	1.0
115.05445	1.8
116.04697	13.0
116.06099	1.0
117.07004	11.9
119.08586	21.1
121.06543	1.5
121.10138	20.9
123.08072	5.0
123.11700	4.2
125.09629	14.4
127.03923	4.1
127.11192	1.4
129.05479	30.1
129.06949	7.2
131.08571	19.0
133.10129	18.1
135.08047	2.7
135.11694	12.8
137.09581	2.5
139.11212	1.4
143.07051	6.4
143.08574	3.4
145.04961	4.5
145.10135	9.9
147.08083	1.8
147.11688	14.1
149.09599	3.0
149.13261	10.0
153.09032	1.3
157.08609	12.6
157.10114	4.2
159.11674	8.7
161.13240	6.0
163.06027	4.6
163.11188	4.0
163.14845	3.7
165.12779	2.4
169.10220	1.5
171.10176	4.4
171.11707	3.5
173.09579	1.3
173.11922	1.3
173.13298	4.7
175.11176	3.1
175.14804	1.5
177.12766	1.7
185.13208	2.2
187.14807	2.5
189.11180	5.2
191.10768	1.1
191.14232	1.2
193.12239	8.7
199.13301	3.2
199.14949	1.3
200.14053	2.3
201.16362	1.2
209.11684	2.1
211.13220	6.1
227.12729	10.6
229.14378	3.9
241.19421	1.2
243.21150	4.8
255.15881	1.1
259.20432	2.2
261.22131	13.4
267.15826	5.4
277.21600	6.2
283.15399	6.7
284.16116	1.9
285.16730	1.9
301.16452	64.9
302.16852	3.6
315.23175	1.8
317.24786	2.8
333.24255	1.8
335.25797	84.4
336.26184	4.9
389.26852	2.1
451.32053	1.8
491.71524	1.3
525.35266	1.9
527.37238	4.2
543.36804	8.4
545.38232	1.4
561.37854	100.0
562.38068	8.9
599.52698	1.1
952.07245	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03962	7.8
67.05509	63.0
69.03447	5.8
69.07072	19.5
71.04994	9.6
73.02912	4.9
77.03893	5.3
79.05489	64.1
79.32921	4.2
81.03416	67.3
81.07053	60.8
83.04980	13.5
83.08624	27.2
85.02901	42.9
91.03971	8.7
91.05488	100.0
93.07047	66.3
95.04983	30.5
95.08619	35.4
97.02909	9.0
97.06528	6.6
97.10192	9.1
105.07036	85.2
107.04955	6.5
107.08609	34.9
109.06527	4.6
109.10163	20.4
110.11774	5.0
111.08088	15.0
117.07047	21.5
119.08598	70.2
121.10133	22.4
125.09692	5.7
128.06244	8.3
129.07040	18.5
131.08575	49.4
133.10149	51.7
135.11717	20.3
143.08583	12.9
145.10164	20.2
147.11713	47.5
149.09595	10.4
149.13268	12.3
157.10123	25.5
159.11749	15.6
161.13290	24.0
165.12723	5.4
169.10168	5.7
171.11714	9.9
173.13287	5.6
175.11169	23.7
175.14845	8.8
185.13272	10.5
193.12233	47.5
211.13287	72.7
231.21188	5.5
241.19583	28.6
259.20569	71.0
267.15930	23.1
285.16907	73.3
286.17239	4.4
315.23154	10.0
333.24243	66.6
341.84143	4.9
415.29584	7.4
433.30917	8.9
451.32208	9.7
469.33017	8.4
487.35147	5.7
515.37024	5.4
525.35883	37.9
527.56677	4.7
543.36749	93.1
544.37109	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5289
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	14.2
68.59438	2.1
69.24468	18.6
79.05489	7.3
81.07054	8.2
83.04980	16.2
91.05491	8.4
93.07037	18.8
95.04947	4.5
95.08604	15.6
98.23344	4.4
105.07035	11.3
107.08597	7.6
107.61817	2.1
109.06564	2.9
109.10164	5.3
111.04462	8.3
111.08078	7.3
111.53539	2.2
111.54297	2.6
113.93727	2.3
115.05465	2.5
117.07040	7.8
119.08582	12.0
121.06516	3.4
121.10135	2.7
128.06276	3.4
129.07005	5.3
131.08548	5.6
133.10136	14.9
136.81248	2.2
139.07585	6.0
141.06952	2.7
142.07729	3.2
143.08546	8.0
145.10124	7.3
147.08057	4.5
147.11696	3.8
153.07010	2.8
154.07878	2.8
155.08562	18.8
156.09259	5.6
157.06450	11.8
157.10202	11.6
159.08075	3.4
159.11772	4.5
161.09581	2.7
161.13205	2.9
165.07060	4.2
167.08597	5.7
169.10147	8.5
171.08002	2.3
171.11720	9.2
173.09650	3.3
173.13310	2.5
179.08507	5.3
180.09380	2.5
181.10135	8.4
182.10899	3.0
183.11687	5.6
184.12462	2.7
185.09700	2.4
185.13220	2.8
187.11168	2.7
192.09341	3.0
193.10139	4.8
194.10808	2.4
195.08018	7.6
195.11713	9.7
197.09630	2.9
197.13293	6.9
199.11139	19.5
205.10220	3.2
205.12131	3.0
206.10843	5.2
206.29713	2.2
207.08063	2.3
207.11694	9.4
209.09674	2.8
209.13292	9.1
211.14926	3.1
217.12276	6.1
218.10832	2.8
219.11659	7.0
220.12433	4.9
221.13278	9.8
223.11189	2.5
223.14828	6.7
225.12776	3.4
231.11713	5.6
232.12564	4.1
233.13173	6.6
234.14006	3.0
237.12816	6.1
245.09625	3.9
245.13121	3.7
246.10303	3.3
247.11205	3.1
247.14789	6.9
249.12721	4.5
249.16469	4.1
251.14291	3.9
255.13814	8.1
259.11252	4.6
259.14874	4.9
260.15591	2.9
261.12775	7.8
261.16281	3.6
263.14276	3.3
267.13751	7.1
271.11337	2.7
273.12701	6.0
273.16034	2.6
275.14374	3.0
277.16162	2.9
277.19507	3.1
283.14978	4.8
287.14380	6.2
287.17767	4.5
289.15933	4.5
289.19272	5.4
301.16071	6.2
301.19427	4.3
302.16617	3.4
303.17395	7.2
305.15408	2.7
311.18149	3.4
315.17642	3.6
329.19037	7.2
331.20529	3.1
335.25946	4.2
343.20706	3.2
344.21353	5.1
369.18225	2.8
377.24768	10.8
397.25238	3.7
401.21133	5.9
415.26282	27.4
425.24661	14.2
443.25833	100.0
444.26138	8.7
461.26859	91.5
462.27127	9.4
495.55029	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26246	0.9
69.26650	3.1
69.81069	0.5
82.42669	0.4
83.54252	0.4
92.07962	0.4
102.81401	0.5
109.02868	0.4
123.04406	1.1
131.01910	0.7
139.03920	3.4
145.03532	0.6
145.75182	0.4
155.01900	0.5
161.02074	1.0
173.02956	0.7
215.03943	0.5
221.03143	0.7
221.05110	1.0
239.03998	0.6
243.52364	0.4
245.05002	1.0
247.53848	0.5
251.04045	1.1
257.04968	0.7
281.04727	0.6
285.23615	0.5
291.08688	0.8
295.05795	0.4
323.06729	1.5
337.07706	0.8
341.07257	2.0
347.08435	1.7
354.09360	0.5
355.08884	0.6
363.05710	0.5
397.70898	0.5
475.12088	100.0
476.12381	7.1
493.12015	0.5
632.12506	0.6
714.89374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5562
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10405	1.6
69.10831	1.1
70.06596	5.7
71.08633	1.7
85.10160	0.5
86.85979	0.3
88.07633	7.7
98.22679	0.6
102.09180	2.4
106.08664	5.0
211.18718	0.3
212.23756	1.9
219.26627	0.4
230.24721	0.3
256.26395	3.7
274.27399	100.0
275.27734	5.3
318.30002	0.5
325.10400	0.4
435.14078	1.2
629.20178	1.7
644.72827	0.4
644.84137	0.4
931.31036	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5627
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	2.0
66.44704	0.8
67.05505	58.7
68.05830	1.2
69.03429	4.1
69.07072	8.2
69.57657	3.7
71.04996	5.9
71.08634	19.2
73.02924	2.3
73.47385	0.8
79.05483	8.2
81.03424	5.4
81.07053	23.1
81.07526	1.7
83.04981	2.1
83.08617	12.6
85.02901	9.6
85.06543	1.9
85.10184	11.4
86.35626	0.7
87.04468	42.6
89.06007	1.0
91.03955	5.0
91.05486	6.1
92.57509	0.7
93.07047	4.8
95.04933	1.5
95.08608	20.2
97.02881	6.9
97.06537	0.8
97.10168	11.2
99.04457	7.6
99.11696	1.2
103.07578	1.1
103.66035	0.8
105.07018	1.2
107.04961	1.3
107.08611	5.3
109.06511	0.7
109.10154	57.3
110.10515	2.0
111.04427	1.1
111.08088	2.3
119.08571	5.1
119.82432	0.8
121.10139	1.6
123.11708	2.4
125.09628	7.4
127.03899	3.2
137.09630	2.4
137.13324	0.8
145.04932	1.8
145.10098	1.2
149.09529	0.9
153.12804	1.2
155.10657	3.8
163.06024	1.9
163.11177	2.3
173.04488	0.8
173.09537	1.0
173.11739	20.9
181.12369	0.9
184.07227	0.9
193.12300	1.1
199.13292	6.7
200.89902	0.8
206.80746	0.9
227.12810	2.2
229.14345	58.8
230.14655	2.7
239.23729	6.0
241.14375	1.4
256.07675	0.8
257.13821	2.4
257.24719	1.5
267.15955	4.5
283.15482	1.9
313.27356	79.7
314.27670	5.5
315.18015	8.0
341.26770	6.0
437.36264	4.8
455.37225	10.2
456.37192	1.2
467.37302	100.0
468.37567	10.0
505.38800	2.6
539.39337	0.9
553.41223	1.5
665.69305	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5627
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	2.0
66.44704	0.8
67.05505	58.7
68.05830	1.2
69.03429	4.1
69.07072	8.2
69.57657	3.7
71.04996	5.9
71.08634	19.2
73.02924	2.3
73.47385	0.8
79.05483	8.2
81.03424	5.4
81.07053	23.1
81.07526	1.7
83.04981	2.1
83.08617	12.6
85.02901	9.6
85.06543	1.9
85.10184	11.4
86.35626	0.7
87.04468	42.6
89.06007	1.0
91.03955	5.0
91.05486	6.1
92.57509	0.7
93.07047	4.8
95.04933	1.5
95.08608	20.2
97.02881	6.9
97.06537	0.8
97.10168	11.2
99.04457	7.6
99.11696	1.2
103.07578	1.1
103.66035	0.8
105.07018	1.2
107.04961	1.3
107.08611	5.3
109.06511	0.7
109.10154	57.3
110.10515	2.0
111.04427	1.1
111.08088	2.3
119.08571	5.1
119.82432	0.8
121.10139	1.6
123.11708	2.4
125.09628	7.4
127.03899	3.2
137.09630	2.4
137.13324	0.8
145.04932	1.8
145.10098	1.2
149.09529	0.9
153.12804	1.2
155.10657	3.8
163.06024	1.9
163.11177	2.3
173.04488	0.8
173.09537	1.0
173.11739	20.9
181.12369	0.9
184.07227	0.9
193.12300	1.1
199.13292	6.7
200.89902	0.8
206.80746	0.9
227.12810	2.2
229.14345	58.8
230.14655	2.7
239.23729	6.0
241.14375	1.4
256.07675	0.8
257.13821	2.4
257.24719	1.5
267.15955	4.5
283.15482	1.9
313.27356	79.7
314.27670	5.5
315.18015	8.0
341.26770	6.0
437.36264	4.8
455.37225	10.2
456.37192	1.2
467.37302	100.0
468.37567	10.0
505.38800	2.6
539.39337	0.9
553.41223	1.5
665.69305	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.6145
Annotation	Unknow
Peak:m/z	Relative Intensity
64.47550	5.5
65.67634	4.2
67.05511	47.3
69.07074	36.6
69.08203	4.5
69.26949	3.9
70.45969	13.5
71.00063	4.4
71.30090	4.0
72.11261	4.3
74.20121	4.5
75.16799	4.2
79.05486	25.9
81.07053	56.6
83.08617	20.1
85.02899	13.6
85.31030	4.2
91.03944	12.9
91.05491	10.9
93.07047	40.4
95.08604	41.9
97.02908	9.8
97.06533	6.8
97.10193	10.1
99.08102	4.6
105.07062	7.6
107.08631	20.7
109.10167	16.1
117.06987	5.2
119.08570	5.9
121.10136	19.9
123.11674	7.3
133.10115	9.3
135.11682	18.2
145.04987	5.1
145.10152	6.4
149.13237	6.9
163.06012	9.3
236.85367	4.4
243.20981	5.7
261.22189	30.7
311.25803	100.0
312.25964	6.9
317.24710	8.3
335.25845	83.7
571.47272	48.2
572.47064	5.7
589.47943	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6293
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	1.4
67.05505	40.9
69.03429	2.1
69.05798	6.8
69.06726	1.2
69.07071	12.6
71.04984	1.7
71.08633	20.5
73.02921	4.8
77.03966	0.7
79.05491	25.5
81.03434	1.7
81.07055	45.2
82.07377	0.8
83.04981	1.2
83.08629	9.8
84.10951	0.8
85.02906	17.5
85.06532	1.3
85.10178	11.3
88.81759	0.7
89.06037	1.8
91.03965	10.6
91.05476	13.8
93.07045	27.4
95.04982	1.5
95.08606	41.4
96.04532	0.8
96.08927	0.9
97.02905	7.3
97.06540	1.6
97.10159	4.7
98.23376	1.2
99.04433	1.0
99.08083	0.9
103.07594	1.4
105.07034	9.9
107.08599	16.1
109.06542	0.8
109.10152	20.1
111.08056	1.1
111.11694	0.9
115.03958	0.9
117.07006	3.3
119.08567	6.8
121.10144	12.3
123.08076	1.2
123.11682	7.2
127.03930	4.5
131.08566	9.3
133.10132	7.0
135.11690	11.5
137.09778	0.9
137.13220	3.2
145.04977	6.1
145.10121	5.2
147.11690	5.3
149.13231	6.8
151.14836	1.0
159.11710	5.2
161.13214	4.0
163.06033	5.6
163.14806	4.8
173.13298	4.7
175.14835	1.5
177.16405	1.4
187.14822	1.9
233.22585	1.4
239.23680	3.2
243.21127	9.0
257.24719	2.0
261.22137	40.0
262.22449	2.1
298.35831	0.8
299.23795	1.2
313.27344	100.0
314.27676	6.1
317.24869	6.3
335.25797	82.0
335.28903	1.3
336.26102	6.7
421.91110	0.9
499.44940	2.2
573.48712	37.3
574.49243	4.8
591.49896	5.6
592.49646	1.1
657.31073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
65.71556	0.6
67.05495	1.9
69.03432	1.9
71.30868	0.9
79.05475	2.9
81.07050	2.0
84.57379	0.6
87.04449	1.0
91.05473	4.7
93.07036	2.1
95.04987	1.0
95.08621	0.9
97.25782	0.6
97.88998	0.6
100.81561	0.6
105.07027	6.2
107.08604	3.7
109.02863	0.6
109.06543	1.1
111.04425	1.1
115.05450	2.5
117.07011	7.7
119.08582	4.0
121.06459	0.8
128.06223	3.9
129.07008	6.3
130.07759	1.2
131.08549	5.5
133.06473	3.7
133.10141	2.8
135.08043	1.4
135.11658	0.6
139.89839	0.5
141.06995	3.5
142.07782	6.8
143.08577	12.2
144.09251	1.2
145.06534	1.1
145.10138	6.1
147.08008	1.2
147.11714	1.4
149.09683	0.6
153.06978	1.9
154.07768	1.7
155.08511	4.7
156.09348	7.7
157.06520	3.7
157.10133	13.3
158.07236	0.9
159.08028	1.5
159.11755	1.7
161.05986	3.6
161.09647	1.5
165.06953	3.6
166.07753	0.9
167.08595	2.5
168.09323	1.4
169.06520	0.9
169.10141	7.4
170.10815	0.7
171.08034	6.4
171.11696	20.3
172.08850	0.6
172.12135	1.0
173.09651	3.2
173.11935	0.7
173.13297	2.8
175.11226	1.6
179.08527	1.8
180.09343	3.2
181.10089	5.2
182.07315	0.9
182.10912	1.7
183.08003	1.0
183.11737	2.7
184.08855	2.2
185.09604	5.2
185.13268	2.1
187.11118	1.2
189.09132	2.5
189.12895	0.6
191.08617	1.1
192.09355	2.1
193.10110	3.4
194.10883	2.0
195.08118	2.8
195.11693	5.7
196.08731	0.9
197.09624	4.0
197.13264	3.3
199.11185	15.2
202.07906	0.8
202.09773	1.1
203.08603	1.1
203.10657	1.7
205.10112	1.4
206.10947	2.6
207.08057	0.8
207.11661	6.6
208.08887	1.2
208.12363	1.0
209.09639	2.6
209.13199	4.4
210.14055	0.7
211.11214	2.8
211.14813	1.9
213.12778	2.6
217.10202	1.4
217.12222	15.2
218.10861	1.4
219.11670	1.5
220.12437	0.7
221.09651	2.7
221.13229	4.2
222.10437	1.5
222.13611	0.7
223.11151	7.0
223.14792	1.8
225.12755	5.8
227.10612	0.6
229.10123	1.4
230.10872	1.1
231.11662	1.9
232.12462	1.4
233.13243	1.7
235.11139	2.1
235.14842	2.6
237.12723	3.9
239.10693	1.2
239.14258	1.1
241.12285	1.7
242.10678	0.6
243.11703	2.3
243.13840	1.0
244.12469	1.7
245.09547	0.7
245.13318	2.5
246.10440	0.7
247.11186	1.1
247.14912	1.6
249.12788	2.7
251.14304	1.5
253.12248	1.7
253.15889	1.7
255.13887	0.7
257.13220	2.1
258.13947	1.2
259.11133	1.2
259.14804	3.0
261.12799	1.0
263.14288	1.3
263.18106	0.6
267.13828	0.8
269.13467	0.7
271.11325	0.8
271.14658	1.3
272.12195	0.9
273.12866	1.5
273.16333	1.7
275.14316	2.4
277.16138	0.8
277.19446	1.4
283.14923	1.8
284.12198	0.8
284.15698	1.1
285.12930	1.0
285.16333	1.6
286.13602	0.7
286.17325	0.7
287.14374	1.3
289.15765	0.8
291.13971	0.8
292.12482	0.7
295.11240	0.7
297.12701	1.1
297.16376	1.7
298.13766	0.9
299.14633	0.8
301.15948	1.7
301.19345	1.4
306.13992	0.8
309.12994	0.7
309.16339	1.3
311.14346	0.9
311.17780	1.2
314.20453	0.8
315.17615	1.3
315.21014	0.9
321.16147	1.1
327.17737	0.8
329.19098	0.9
337.15768	0.9
339.17258	0.8
343.20673	2.9
347.14111	0.8
349.15942	1.1
353.19138	1.3
357.22089	1.3
363.17502	0.9
365.19272	1.0
367.16806	1.0
375.23111	3.2
381.18341	0.8
395.23730	1.0
398.22647	0.7
399.23520	4.5
401.21472	0.7
405.22269	2.3
413.24744	66.1
414.25140	7.0
415.26221	1.3
423.23184	12.7
441.24243	100.0
442.24591	9.8
459.25314	30.4
460.25876	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	5.7
67.05505	80.2
69.03419	14.6
69.06721	3.1
69.07071	33.5
71.01389	1.9
71.04992	11.7
73.02905	4.4
73.34308	1.8
75.88144	1.6
79.05492	82.5
81.02915	2.8
81.03416	93.3
81.07056	100.0
83.04975	33.6
83.08615	41.4
85.02906	47.9
85.06528	5.6
87.04478	2.1
91.03963	8.0
91.05478	91.3
93.07042	73.6
95.04966	46.2
95.08601	40.7
95.09166	3.8
97.02911	13.7
97.06536	24.2
97.10181	17.2
99.04451	3.3
99.08099	5.6
105.07036	63.4
107.04955	17.2
107.07867	2.1
107.08595	42.2
109.02874	2.6
109.06516	15.8
109.10152	14.1
111.04427	4.8
111.08079	17.9
113.06015	3.4
113.09655	2.2
115.05441	4.1
117.07028	20.0
119.04953	2.9
119.08578	51.7
119.09441	2.5
121.06507	6.9
121.10159	23.6
123.08039	9.4
123.11712	7.3
125.09659	10.8
127.03895	4.9
128.06223	3.6
129.05507	2.2
129.07021	19.8
131.08571	38.4
131.09492	2.9
133.06474	7.3
133.10127	39.5
133.11061	3.0
135.08034	5.6
135.11725	14.5
137.09610	6.7
142.07811	4.2
143.08537	5.5
145.05043	2.9
145.06499	3.6
145.10100	18.7
147.08063	6.0
147.11670	31.9
149.09616	19.6
149.13229	13.6
151.11186	4.5
157.10109	23.6
159.11694	15.1
160.58728	1.8
161.09573	3.0
161.13281	5.9
163.05981	2.0
163.11200	10.6
165.12747	7.1
171.11749	2.3
173.04446	5.1
173.13254	6.0
175.11176	21.6
177.12735	6.6
179.14291	3.0
185.13194	2.0
189.11234	5.1
193.12230	53.3
195.13829	5.0
201.12834	2.3
211.13286	92.1
212.13741	2.6
227.12630	9.0
229.19560	2.4
239.17801	3.2
247.20685	2.6
249.14847	3.3
255.15887	13.4
257.18958	9.6
267.15903	45.6
269.17465	29.3
275.20038	41.3
285.16946	79.8
286.17276	5.2
293.20862	4.2
331.22601	3.7
349.23737	35.6
353.16266	1.8
367.24765	4.5
381.23209	2.1
387.24911	2.4
437.25482	2.2
439.26706	3.6
443.27878	4.1
447.27426	10.7
461.22827	3.1
461.28934	38.0
462.29129	2.1
465.28394	20.9
467.31531	2.2
479.30026	90.7
480.30231	6.1
519.33704	2.6
541.35291	22.1
542.34930	2.0
559.36279	51.7
560.36499	4.5
577.37134	8.4
623.34058	5.7
721.41217	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	5.9
67.05504	76.4
69.03421	14.1
69.07068	26.1
69.12503	13.5
71.04987	8.4
71.41708	1.6
73.02923	8.8
73.03255	1.6
77.03951	2.1
79.05492	88.9
81.03416	69.0
81.07055	78.7
83.04980	26.4
83.08609	30.3
85.02905	43.6
85.03420	2.0
85.06533	6.1
91.03963	8.9
91.05477	100.0
93.07040	71.7
94.07387	1.8
95.04967	36.4
95.08601	37.7
97.02888	18.2
97.06530	13.1
97.10158	6.0
98.22523	3.0
99.04454	3.7
99.08100	4.1
103.05471	1.8
105.04503	3.6
105.07028	85.8
107.04949	14.1
107.08598	38.7
109.02889	2.8
109.06541	10.6
109.10155	16.2
111.04424	4.5
111.08085	11.1
113.06044	2.2
115.05488	3.9
117.07024	20.1
119.08577	70.4
120.08953	2.0
121.06498	7.0
121.10143	26.2
123.08083	7.1
123.11709	4.6
124.24727	1.5
125.09601	3.7
127.03912	9.0
127.07567	2.1
128.06219	4.1
129.05484	5.2
129.06995	26.9
130.07748	1.8
131.07581	1.9
131.08568	38.0
133.06494	3.7
133.10124	46.6
134.10480	1.8
135.08078	6.6
135.11710	15.8
137.09601	5.3
141.06935	2.6
142.07773	6.9
143.08601	9.4
145.04974	6.2
145.06422	1.9
145.10118	24.5
147.08051	5.9
147.11678	45.2
148.12059	1.8
149.09613	13.5
149.13249	15.7
151.11226	2.9
155.08554	4.3
156.09439	1.7
157.10136	24.0
159.07967	2.1
159.11674	21.6
161.09647	3.1
161.13258	19.0
163.11234	8.8
163.14850	3.1
165.12732	4.7
169.10141	3.9
171.11626	11.0
173.04411	2.2
173.11839	3.2
173.13280	9.9
175.11150	18.3
175.14839	5.5
176.41548	1.6
177.12738	5.2
179.14214	2.2
181.10115	1.8
183.11641	3.5
185.13312	8.8
187.14771	1.7
189.11139	2.4
189.12750	3.2
193.12234	58.7
195.11806	2.2
195.13843	7.2
197.13174	1.8
199.14827	5.0
211.13274	67.6
212.13594	3.4
227.12778	6.4
231.21101	5.4
239.17921	1.9
241.19528	16.3
247.20822	1.8
257.19034	6.7
259.20575	54.1
260.20801	2.7
265.14230	1.9
267.15912	27.5
268.16403	2.3
269.17456	25.0
270.17767	2.4
275.20007	17.7
283.15298	3.0
283.20428	2.3
285.16956	56.3
286.17322	3.2
293.17566	1.7
302.57199	1.6
315.23126	5.0
333.24255	37.3
349.23669	9.0
433.30838	4.9
451.31741	4.7
459.27640	1.8
461.28986	19.2
469.33350	2.6
479.30057	33.5
480.30515	3.0
525.35724	20.8
526.35315	2.1
543.12616	1.7
543.36804	48.5
544.36914	3.9
559.35950	4.4
561.38055	2.1
577.36584	2.1
687.40356	2.0
728.64923	1.6
937.44928	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	4.5
67.05505	72.6
68.05830	1.3
69.03432	12.8
69.07064	25.8
71.04996	8.8
71.08635	2.7
71.41576	1.0
73.02915	6.8
73.08150	1.1
77.03945	1.2
79.05489	77.8
81.03416	78.0
81.07054	87.1
82.03745	1.3
83.04977	25.5
83.08614	30.5
85.02902	48.0
85.06546	4.8
87.04403	1.2
87.20491	1.2
91.03967	9.1
91.05477	100.0
92.05811	2.0
93.07041	69.2
95.04963	38.7
95.05552	2.2
95.08604	39.8
97.02882	17.6
97.06530	15.1
97.10159	8.3
98.09702	1.1
99.04481	5.4
99.08101	5.7
101.02464	1.1
103.03927	2.2
103.05466	2.8
105.04551	3.0
105.07027	82.9
105.51553	1.1
106.07349	2.3
107.04972	15.1
107.08588	39.2
109.02882	2.3
109.06518	10.2
109.10158	17.5
111.04450	4.2
111.08076	16.6
113.06004	2.6
113.09642	1.2
115.05469	5.0
117.07014	20.8
119.04961	1.3
119.08572	67.0
120.08898	1.4
121.06470	5.9
121.10143	24.2
123.08063	9.2
123.11725	5.6
125.09628	4.3
127.03896	9.5
128.06206	4.4
129.05489	5.1
129.07008	22.9
130.07767	1.9
131.08569	36.6
132.08923	1.6
133.06497	4.0
133.10121	47.6
135.08069	5.1
135.11699	15.9
137.09587	6.7
139.11179	1.3
141.07024	2.3
142.07784	5.0
143.08511	9.1
145.04935	7.0
145.10115	21.4
147.08008	6.2
147.11684	43.0
148.12016	1.8
149.09587	12.6
149.10533	1.3
149.13248	12.6
151.11143	2.6
155.08540	5.2
157.08818	1.0
157.10120	27.3
159.08014	1.3
159.11690	17.5
161.09636	3.4
161.13242	17.1
163.06012	4.1
163.11211	6.3
163.14877	1.3
165.12758	4.7
166.07753	1.5
169.10114	4.4
171.11702	8.1
173.04457	2.3
173.09610	1.8
173.11842	2.4
173.13295	8.0
175.11168	19.2
175.14818	5.1
176.11401	1.4
177.12727	4.4
179.14304	1.6
181.10123	1.8
183.11748	3.3
185.13232	6.2
187.11166	1.5
187.14757	3.0
189.11226	3.5
189.12791	2.5
189.16245	1.3
191.10756	1.2
193.12234	56.6
194.12619	2.0
195.11908	2.0
195.13828	7.5
197.13232	4.4
199.14807	4.4
200.67949	1.2
203.14380	1.5
209.13388	1.6
211.13275	79.6
212.13676	2.9
213.16414	1.9
227.12839	3.9
229.14198	2.5
229.19461	2.3
231.17328	1.5
231.20981	2.4
233.15472	1.6
239.17984	2.8
241.19467	13.0
242.19922	1.3
243.20999	1.3
249.14758	2.4
257.19031	6.4
259.20569	36.4
259.23267	2.5
260.20743	1.9
261.22226	1.6
265.14331	2.2
267.15881	30.0
268.16251	1.8
269.17441	15.9
273.18414	1.5
275.20016	14.5
277.21790	1.6
281.17136	1.2
283.15335	3.5
285.16965	64.0
286.17307	2.4
293.21017	5.6
301.16400	2.1
313.21759	1.8
315.23148	3.8
331.22693	1.5
333.24274	30.8
334.24503	1.8
335.25607	1.4
349.23886	7.3
390.11621	1.2
433.31039	4.1
435.73181	1.2
439.26685	3.2
451.31827	3.4
461.28842	7.0
465.28503	1.3
469.32773	2.3
479.30002	29.4
480.30310	1.5
515.37415	2.3
525.35681	16.8
526.35736	2.4
541.34711	3.8
543.36780	39.0
544.37195	2.7
559.36346	7.4
561.37439	1.3
577.37244	4.1
890.81659	1.2
960.85376	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5522
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03950	3.4
67.05505	63.1
68.05846	1.1
69.03430	4.7
69.07070	13.7
69.23822	8.6
71.04998	3.8
71.08608	1.4
73.02932	2.1
79.05122	0.8
79.05492	44.3
81.03416	79.7
81.07056	59.6
82.03750	1.4
83.04998	5.1
83.08616	20.9
85.02891	7.1
85.06547	2.2
91.03963	6.0
91.05484	38.4
93.07043	45.9
95.04971	26.0
95.05563	2.2
95.08606	45.8
96.08964	2.0
97.02882	6.8
97.06519	5.4
97.10160	7.0
98.22556	1.3
99.08083	1.2
103.05486	1.3
105.07030	26.5
107.04967	6.9
107.08596	29.5
109.02885	1.3
109.06540	5.4
109.10163	20.7
111.04521	1.1
111.08092	7.6
111.11731	1.1
115.05485	1.8
117.07008	8.9
119.08572	23.4
121.06499	3.8
121.10143	24.7
122.10440	1.1
123.04440	2.4
123.08035	3.2
123.11687	7.9
125.09618	5.7
127.03878	1.9
129.07013	8.5
131.08565	17.9
133.06520	3.7
133.10126	13.6
135.08081	1.6
135.11682	14.0
137.09636	2.1
137.13284	2.6
141.06969	1.3
142.07777	2.6
143.08560	2.4
145.04999	2.0
145.06505	1.3
145.10132	11.8
147.08067	3.8
147.11681	13.6
149.09628	6.8
149.13245	8.1
151.11145	1.4
155.08556	1.3
157.10117	10.7
159.11684	7.1
161.05942	1.5
161.09769	1.1
161.13281	4.3
163.06029	4.4
163.11171	2.5
163.14828	3.8
165.12775	2.3
169.10100	1.2
171.11729	3.0
173.09695	1.6
173.11961	1.5
173.13228	7.3
175.11183	9.3
175.14816	2.6
183.11725	1.5
185.13242	1.8
187.14810	3.4
189.11197	3.0
189.12737	2.0
193.12231	21.8
197.13284	1.3
199.14998	1.2
201.16423	1.3
205.12303	1.5
207.13748	1.6
211.13248	1.6
227.12717	5.8
231.89763	1.2
233.22572	1.6
235.13280	2.5
243.21095	7.5
249.14973	3.3
259.13321	2.0
261.22137	22.4
267.15909	93.1
268.16266	6.0
273.14890	1.9
277.21481	1.1
279.23392	1.4
301.14291	2.7
301.25278	6.6
303.23270	1.7
309.17014	4.7
313.27536	5.1
317.24835	4.2
333.24261	1.7
335.25797	100.0
336.26196	6.1
389.22974	1.2
421.26016	2.4
427.33450	1.1
435.27347	2.5
435.32574	5.0
436.28271	1.4
453.24411	1.1
453.33597	10.5
471.34891	3.1
509.36533	1.8
527.37305	61.9
528.37677	9.2
545.38361	49.9
546.38733	6.8
550.27515	1.5
559.39502	2.2
569.38525	10.6
570.38287	1.7
587.39459	1.3
593.38043	1.3
611.39124	1.6
623.39514	3.4
635.38885	3.1
653.40710	2.5
671.41803	2.4
689.42474	1.1
906.64832	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03952	2.4
67.05505	58.6
68.05798	1.3
69.03433	3.6
69.07069	14.2
69.31565	8.2
71.04987	3.4
73.02898	2.1
78.85426	1.1
79.05492	39.5
81.03416	86.2
81.07054	54.1
82.03746	1.7
83.04974	6.6
83.08619	21.8
85.02904	8.9
85.06539	2.7
91.03942	5.3
91.05477	33.8
93.07043	41.3
95.04966	28.2
95.08605	41.2
97.02911	6.5
97.06505	6.2
97.10186	8.2
99.08086	1.5
103.05452	1.1
105.07022	28.3
107.04939	6.4
107.08587	24.5
109.02802	1.2
109.06516	4.7
109.10151	19.6
109.43410	1.1
111.04472	1.6
111.08086	8.0
115.05475	1.3
117.07032	7.8
119.04881	1.4
119.08586	26.9
121.06529	5.5
121.10139	24.2
123.04483	2.9
123.08096	2.1
123.11691	7.4
125.09640	5.5
127.03951	2.2
129.07016	12.4
131.08565	18.6
132.08887	1.3
133.06512	2.9
133.10136	15.1
135.08038	3.6
135.11687	14.2
137.09616	2.1
137.13216	1.9
141.07053	1.5
142.07765	1.4
143.08542	3.2
145.04956	2.4
145.10130	11.1
147.08047	3.9
147.11693	14.7
149.09612	7.1
149.13261	10.0
153.09135	1.5
153.50111	1.4
155.08488	1.9
157.10144	9.7
159.11671	7.8
161.13266	5.1
163.05965	4.0
163.11182	3.4
163.14810	3.5
165.12773	2.0
165.88809	1.0
171.11682	3.8
173.13240	6.1
175.11218	7.0
175.14893	2.7
181.10115	1.4
183.11703	1.6
185.13248	2.8
187.14839	2.9
189.11226	5.2
189.12759	1.3
193.12238	24.6
201.16467	1.7
211.13210	1.3
227.12741	10.4
233.22464	1.2
235.13292	2.3
243.21066	4.0
249.14836	3.0
259.13370	2.3
261.22141	16.5
267.15900	100.0
268.16278	4.9
273.18384	1.5
299.23450	2.2
301.14249	2.3
301.25156	6.2
303.23111	2.2
309.16919	4.9
317.24689	4.2
319.15308	1.5
335.25781	72.4
336.26141	7.5
417.31467	1.7
421.25754	3.1
435.27356	2.6
435.32678	3.7
449.28732	1.3
453.33527	8.5
471.34515	4.2
509.35974	3.0
527.37341	58.9
528.37744	9.5
545.38391	51.2
546.38885	9.5
569.38605	7.7
577.41168	1.3
623.38519	2.3
635.39630	1.9
653.40375	2.9
671.41296	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.585
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04901	0.2
67.05510	1.9
69.03435	2.7
69.07082	0.4
69.08469	0.5
69.08866	1.6
71.01349	0.3
71.05008	0.3
71.08644	0.6
71.64888	0.2
72.69404	0.2
73.02923	3.1
79.05114	0.2
79.05486	1.3
81.03402	1.2
81.07056	1.8
81.96297	0.2
83.08630	0.6
85.02910	5.0
85.10211	0.5
91.03956	3.9
91.05508	0.8
93.07046	1.2
95.08609	2.2
97.02892	5.4
98.23336	0.5
99.04475	1.0
101.02389	1.7
105.07042	0.4
107.08631	0.5
109.02894	0.6
109.10176	0.7
113.14347	0.2
115.03938	0.4
117.07051	0.3
119.08600	0.3
121.10188	0.5
121.66525	0.3
123.11740	0.3
127.03913	1.3
131.08592	0.4
135.11658	0.2
135.36140	0.2
145.04951	0.5
149.13255	0.3
178.88988	0.2
185.04289	0.8
203.05356	0.7
243.08386	1.4
313.27460	0.3
336.26514	0.2
347.09497	2.0
363.09293	0.4
365.10788	1.0
405.13641	5.0
497.30847	3.1
500.93900	0.2
519.29395	4.2
579.85461	0.2
659.35938	3.8
660.36664	0.3
681.34467	7.2
682.34735	0.6
775.53040	1.2
937.58539	100.0
938.58826	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.539
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	21.2
71.30199	7.5
79.05486	11.4
81.07064	14.3
83.04990	19.3
91.05476	12.0
93.07007	21.4
95.08596	27.3
105.07052	8.7
107.08620	9.4
109.10146	11.5
111.04483	6.7
111.08114	8.9
119.08591	14.3
121.10155	9.7
129.07018	7.6
131.08586	5.1
133.10114	13.0
142.07666	4.7
143.08577	8.9
155.08556	21.0
157.06595	6.1
157.10130	14.5
159.11707	6.3
167.08562	7.5
169.10095	5.4
171.11607	6.8
173.13130	4.9
179.08601	8.4
181.10220	6.0
183.11740	4.6
193.10213	6.1
194.10809	4.8
195.08105	7.1
195.11665	13.0
197.13213	5.7
199.11169	22.0
203.33406	4.2
206.10925	5.3
207.11700	7.1
209.13304	7.5
210.62045	4.5
221.13260	6.3
229.14226	6.0
231.11829	7.3
232.12547	4.9
243.11906	5.5
245.09781	6.0
245.13211	5.2
250.13820	4.8
255.13821	6.3
267.13663	8.7
289.15494	6.4
301.16193	8.4
302.16754	5.4
303.17609	5.1
335.25824	7.3
336.26068	9.0
347.19739	6.7
377.24786	9.7
415.26230	19.6
417.14270	5.2
425.24823	8.2
443.25784	79.9
444.26508	5.3
461.26874	100.0
462.27060	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04259	0.5
67.05514	2.6
67.37879	0.5
69.00497	0.5
69.03429	3.2
69.07072	1.1
69.39149	0.9
69.39537	1.6
69.83888	0.4
73.02918	2.8
79.05484	2.4
81.03007	0.6
81.03407	3.1
81.07066	2.1
83.04996	0.9
83.08631	1.0
85.02909	5.2
85.26981	0.5
87.04458	0.6
91.03952	2.4
91.05474	3.2
93.07063	1.6
95.04987	1.1
95.08627	1.1
97.02888	5.3
97.06528	0.4
99.04472	1.2
101.02418	1.7
105.07014	2.2
107.04977	0.9
107.08628	1.0
109.02922	0.8
109.10179	0.6
119.08595	1.8
121.10190	0.7
127.03965	1.1
129.07037	0.8
131.08612	0.8
133.10164	0.9
145.04956	0.5
147.11722	0.6
185.04295	0.6
193.12248	0.8
203.05449	1.0
243.08513	1.9
300.03778	0.5
333.20511	1.3
347.09637	2.0
363.09213	0.8
405.13797	4.4
425.22443	0.4
439.19839	0.5
469.20389	5.9
470.20984	0.5
551.28778	1.7
631.25604	8.6
632.26318	0.6
713.33234	3.7
779.41736	1.4
941.47235	100.0
942.47559	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5079
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	2.3
69.03434	2.9
69.07075	0.4
71.01355	0.4
71.05009	1.0
71.31754	0.3
73.02918	2.6
79.05491	2.0
79.05834	0.2
79.53730	0.3
80.70630	0.2
81.03409	2.3
81.07055	2.2
81.88940	0.2
83.08627	0.5
85.02908	4.8
87.04455	0.4
91.03975	2.8
91.05489	1.9
93.07033	1.8
95.05000	0.7
95.08598	1.7
97.02904	4.9
97.06554	0.5
99.04520	0.7
101.02365	1.3
105.07044	1.2
107.04977	0.3
107.08588	1.3
109.02903	0.6
109.10188	0.5
111.04417	0.3
115.03932	0.4
119.08625	1.1
121.10192	0.9
123.08105	0.3
127.03971	1.5
129.07092	0.3
131.08623	0.8
133.10184	0.7
135.11758	0.4
142.07779	0.3
145.05019	0.4
145.10121	0.4
147.11739	0.5
149.09700	1.0
157.10127	0.5
175.11234	0.5
185.04295	0.7
193.12334	0.7
197.15430	0.3
203.05397	0.7
225.14987	0.5
243.08403	2.0
267.16083	0.6
283.15125	2.2
335.25977	0.4
337.27530	0.3
339.17984	0.6
347.09518	1.7
363.09055	0.3
365.10757	0.7
405.13702	4.7
469.20599	0.4
473.80878	0.3
501.23062	6.2
519.29395	3.2
663.28381	6.1
664.28882	0.3
681.34546	4.6
681.45392	0.3
682.34644	0.4
779.45508	1.3
839.41974	0.3
839.98206	0.3
923.43628	0.3
941.50751	100.0
942.51166	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.6854
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	27.7
69.01460	20.6
69.07073	13.3
79.05489	23.4
81.07057	54.5
81.07523	3.4
83.04971	2.5
83.08614	9.2
85.06554	2.5
91.05478	17.7
93.07040	52.4
95.04968	8.9
95.08607	100.0
97.06535	7.8
97.10196	3.3
105.07034	37.2
107.07865	3.6
107.08588	67.5
107.09280	4.1
109.06512	3.9
109.10155	49.2
111.08089	6.9
111.11634	2.1
113.05998	4.2
117.07050	5.2
119.08578	52.5
121.06509	5.6
121.10143	69.3
123.08070	11.6
123.11696	27.7
125.09615	5.6
129.09113	2.5
131.08588	11.7
133.10132	38.4
135.08020	7.7
135.11694	28.2
137.09615	3.0
137.13264	5.4
139.07545	3.1
141.09169	3.5
143.08548	5.8
145.10124	21.0
147.08054	7.4
147.11696	25.8
149.09669	4.4
149.13306	11.6
153.09129	6.9
155.08575	2.3
156.09424	2.1
157.10112	8.5
159.11690	21.6
161.09613	13.4
161.13252	40.9
163.11168	7.6
163.14828	5.4
165.09171	2.7
167.10730	3.5
169.10158	4.3
171.11674	8.1
173.09665	2.9
173.13249	14.5
175.11102	9.9
175.14812	14.4
177.09100	2.0
177.12723	4.1
177.16382	3.5
179.10696	4.4
181.12184	10.0
185.13269	3.9
187.14857	8.9
189.12804	6.5
189.16393	14.9
191.18060	2.2
193.12215	3.1
195.11743	2.0
195.13835	6.6
197.13211	3.0
199.14877	6.1
201.12598	2.4
201.16426	8.0
203.14322	5.0
203.17984	4.7
209.15367	5.0
213.16397	5.2
215.14342	5.1
215.17880	3.4
217.15822	10.4
219.13841	3.3
219.17535	2.9
221.15387	9.5
223.16931	4.7
227.17859	3.3
229.15894	3.4
231.17500	3.7
233.15384	5.0
235.16911	32.1
237.18585	6.1
241.19604	2.7
247.16972	10.9
249.18503	12.8
261.18604	4.8
267.15723	2.8
311.23672	2.8
327.23325	2.6
329.24805	4.0
343.26321	10.0
355.26340	7.3
397.27014	3.9
407.33145	4.6
417.31482	7.2
425.34195	13.1
435.32538	31.6
436.32813	2.8
453.33755	28.6
454.33936	2.8
471.34683	44.0
472.35422	4.9
941.53528	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.5993
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	13.2
67.30222	0.9
69.03425	1.8
69.07069	6.5
69.50282	4.1
71.04997	1.5
71.08628	19.0
73.02942	1.2
79.05499	8.1
81.03416	63.4
81.07055	16.8
82.03773	1.5
83.04985	3.5
83.08611	19.1
85.02906	3.9
85.06541	1.6
85.10181	12.5
89.06001	1.2
91.03976	2.6
91.05477	9.7
93.07042	5.4
95.04964	20.6
95.08591	15.4
97.02885	4.0
97.06557	1.5
97.10166	6.6
103.88203	1.0
105.07035	7.8
107.04961	4.9
107.08580	3.3
109.06536	2.2
109.10151	6.7
111.04449	1.8
111.08116	3.3
111.11752	1.7
117.07003	2.1
119.08572	8.8
121.06504	3.1
121.10158	3.4
123.04457	1.9
123.08091	1.8
123.11725	2.2
127.03920	1.4
129.07011	7.9
131.08615	5.8
133.06496	2.8
133.10126	3.1
137.13266	1.6
142.07774	1.7
147.08086	3.8
147.11702	5.3
149.09625	4.3
149.90796	1.0
157.10121	6.7
163.05988	2.5
163.11234	1.2
165.12755	2.3
175.11188	8.0
189.12897	1.3
193.12236	23.1
197.29123	1.0
205.12157	1.2
211.13240	1.6
235.13345	1.4
249.14813	1.5
267.15909	100.0
268.16306	2.6
273.14841	2.1
285.28055	1.7
301.14450	1.9
309.16919	3.4
341.30493	98.9
342.30881	4.6
348.41644	1.1
506.53534	1.5
533.42004	87.3
534.42694	6.9
551.43335	1.3
575.43018	5.2
629.43414	2.3
641.44037	1.9
659.44849	2.8
677.46039	1.6
716.89899	1.3
742.95148	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
66.87505	1.6
71.31832	2.3
71.34325	1.7
78.04255	1.7
89.03925	9.2
91.05501	4.6
103.05463	16.8
105.07043	5.4
107.04964	2.8
115.05438	1.8
117.03371	26.5
119.04949	6.1
131.04922	36.2
132.66759	1.6
133.02846	16.1
133.06506	4.5
135.04407	3.0
137.05986	20.7
145.02850	60.8
147.04427	1.9
149.06000	14.4
161.05989	10.4
163.07539	12.9
175.03912	6.3
175.07597	2.9
177.05464	100.0
178.05838	3.8
186.56870	1.9
201.05460	12.8
213.05542	2.1
233.05952	2.4
265.08527	2.5
277.08679	3.5
282.88541	1.6
283.09711	2.6
293.08069	3.4
295.09570	2.2
297.11404	2.5
305.08005	2.2
309.11237	5.5
325.10696	15.4
337.10638	3.6
349.10852	2.4
355.11826	3.7
393.16528	1.9
517.18805	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.5521
Annotation	Unknow
Peak:m/z	Relative Intensity
69.05709	1.5
69.06114	0.7
70.06590	5.5
71.08267	0.3
71.08626	1.4
81.07040	0.4
85.10180	0.3
86.62149	0.2
88.07630	8.9
91.05446	0.2
93.07011	0.3
99.52501	0.2
102.09172	2.6
106.08670	5.0
110.10256	0.3
110.86082	0.3
116.47887	0.3
119.08734	0.3
139.03860	1.2
183.72865	0.3
212.23737	1.1
226.99948	0.2
230.24829	0.5
256.26352	3.8
267.16055	0.3
274.27399	100.0
275.27722	4.3
283.15359	0.4
291.19537	0.3
367.71094	0.3
461.89392	0.3
494.91437	0.3
926.28461	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.6096
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	18.2
69.07070	12.8
71.08638	9.4
79.05486	12.4
81.07061	27.2
83.04987	3.1
83.08630	6.2
85.02898	2.4
85.10215	2.6
91.05490	19.1
93.07041	15.6
95.01346	3.2
95.04983	4.2
95.08615	19.0
97.06555	6.9
98.23005	13.4
100.50589	2.2
105.07035	35.1
107.04966	7.5
107.08601	8.9
109.06519	2.4
109.10191	4.8
111.08069	3.3
117.07016	7.2
119.08588	21.5
121.10188	4.1
123.08116	2.7
123.11726	2.5
129.06984	3.5
131.08577	8.9
131.10625	2.1
133.10132	16.6
135.11693	4.9
145.10132	7.5
147.11729	7.2
159.11769	4.0
179.14308	6.4
192.69812	2.3
219.17444	15.1
275.20096	26.0
300.18100	2.0
313.27295	27.4
327.28937	2.6
349.23697	15.7
587.46729	100.0
588.46875	8.9
605.29028	2.1
629.04181	2.4
791.38641	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.6248
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	23.1
69.03441	2.6
69.07065	11.3
69.17339	14.5
69.17755	5.8
71.08632	16.5
76.12409	2.7
76.12821	2.4
78.82929	2.6
79.05488	21.1
81.07066	29.8
83.08615	7.9
85.02908	10.3
85.10152	12.7
91.03967	5.0
91.05475	24.7
93.07039	24.4
95.04935	5.9
95.08604	28.9
97.02865	5.6
97.10203	4.7
105.07031	30.3
107.04891	2.4
107.08599	11.4
109.10160	11.4
117.07026	7.9
119.08586	28.2
121.09352	2.6
121.10126	14.0
129.07030	4.8
131.08553	12.3
133.10124	29.8
135.08086	3.0
135.11725	12.5
143.08604	3.7
145.10159	14.1
147.11662	30.6
149.13248	8.4
157.10201	6.5
159.11707	10.3
161.13243	17.0
163.05939	6.5
163.14851	7.0
171.11708	11.7
173.13258	9.5
175.14835	8.6
184.46487	2.8
185.13243	6.0
199.14810	4.6
213.16312	3.2
231.20995	5.1
241.19498	29.8
247.10953	2.7
259.20581	100.0
260.20880	7.0
313.27356	98.2
314.27710	9.7
315.23053	3.4
333.24203	58.1
334.24536	3.6
513.17047	2.6
571.47260	13.6
588.46814	5.4
589.48163	43.1
590.48627	7.2
730.79901	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31471	0.5
84.16634	0.5
87.64506	0.6
91.05502	0.7
92.45792	0.5
93.87324	0.5
103.05510	0.8
107.90462	0.5
145.02866	0.8
147.04535	0.6
159.04263	1.1
175.03650	16.6
177.05525	0.6
185.05669	0.6
256.26230	0.5
380.12552	0.7
453.39270	0.6
559.86188	0.6
919.96198	0.7
949.32471	100.0
950.32697	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	98.9
69.03429	17.7
69.07069	44.7
70.07430	1.7
70.22146	2.9
70.22500	3.2
71.01357	3.6
71.05012	11.8
73.02918	6.3
77.03880	1.7
77.33721	1.8
79.05493	86.7
80.05840	1.9
81.03419	76.0
81.07056	98.5
82.04211	2.0
83.04980	29.2
83.08617	32.5
85.02906	35.3
85.06541	6.8
91.03953	11.1
91.05480	100.0
92.05807	2.7
93.07044	68.0
95.01344	1.9
95.04970	45.8
95.08610	48.1
97.02885	15.9
97.06528	27.7
97.10173	16.0
98.07344	2.7
99.04458	3.4
99.08090	4.4
103.05448	3.5
105.04527	4.1
105.07030	63.1
106.07368	1.5
107.04961	21.6
107.08594	37.5
109.02874	6.8
109.06516	10.8
109.10155	35.7
111.04457	6.5
111.08080	16.2
115.05479	4.1
116.04727	6.2
116.06217	2.0
117.07018	20.7
119.04974	1.9
119.08579	49.9
121.06507	8.9
121.10127	21.2
123.08062	9.9
123.11699	4.4
125.06004	2.2
125.09647	15.5
127.03920	6.0
127.07599	2.0
127.11231	1.8
128.06250	2.7
129.05515	13.9
129.06984	20.2
131.08571	26.4
133.06502	7.8
133.10126	41.8
133.11060	3.1
134.20273	2.0
135.08066	9.0
135.11694	15.0
137.09610	13.9
141.06955	1.7
142.07774	5.0
143.07103	3.9
143.08562	7.2
145.04938	3.7
145.06499	3.8
145.10107	19.3
147.08032	7.2
147.11688	27.8
149.09619	23.5
149.13234	9.0
151.11223	5.1
153.09064	1.7
155.08548	3.4
157.08699	4.0
157.10100	23.2
157.80016	2.1
159.08020	2.2
159.11668	13.4
161.09642	3.6
161.13292	6.4
163.11189	12.0
165.12773	6.9
167.10666	2.1
169.10118	2.2
171.10191	2.7
171.11740	4.7
173.04451	2.0
173.09566	3.1
173.11752	5.4
173.13245	4.5
175.11192	18.6
177.12683	3.7
185.13266	2.5
189.11223	5.5
193.12245	49.6
194.12686	2.1
195.13905	1.8
197.13339	2.4
199.13199	2.8
199.14861	2.0
209.11734	2.7
211.13284	54.8
212.13718	2.2
223.13268	3.2
227.12759	11.1
229.14288	11.7
229.19374	3.7
239.17982	3.1
243.15924	4.2
247.20738	2.0
253.14453	2.8
255.15932	6.1
257.19009	9.2
267.15887	32.2
268.16299	3.4
269.17416	10.4
273.18445	4.5
275.20044	33.3
276.20264	2.3
283.15390	5.3
285.16977	34.5
291.19522	7.9
293.21057	5.0
301.16464	26.9
331.22513	2.4
335.19754	1.9
349.23788	38.0
365.22968	3.5
393.26041	2.5
421.25836	4.3
423.27600	4.0
439.26990	14.7
447.27316	4.4
453.28421	5.9
455.20367	3.5
460.27863	1.8
461.28796	2.9
463.30768	3.9
465.28262	2.9
477.28363	4.0
479.29703	3.4
481.27863	4.7
495.29501	15.8
521.28900	5.6
541.35181	10.8
557.34174	4.8
559.36224	26.2
560.36267	3.3
575.35590	12.5
577.37549	4.2
593.36450	4.3
796.96906	1.7
929.33844	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05173	3.9
67.05506	52.9
68.09778	2.0
69.03432	8.5
69.07071	25.8
71.05002	10.5
73.02924	3.7
78.85614	2.0
79.05491	70.3
81.03414	76.2
81.07056	100.0
83.04988	30.6
83.08621	38.0
85.02900	36.6
85.06544	5.7
91.03953	4.9
91.05482	69.3
93.07042	51.4
95.04969	45.3
95.08604	28.1
97.02892	6.5
97.06512	19.5
97.10171	25.2
99.04432	3.8
99.08088	4.3
103.05440	2.7
105.04546	2.2
105.07033	46.3
107.04985	18.9
107.08591	28.4
109.06524	20.1
109.10147	14.4
111.04430	13.8
111.08068	15.4
113.06017	2.2
117.07008	18.4
119.04903	2.2
119.08582	43.3
119.09341	3.7
120.08965	2.1
121.06503	13.1
121.10145	23.2
123.04476	3.0
123.08067	24.0
123.11723	3.2
125.09634	22.0
127.03915	4.7
128.06221	2.9
129.07001	21.3
131.08574	30.0
133.06509	9.2
133.10115	23.8
135.08055	10.7
135.11714	9.6
137.06026	4.3
137.09676	7.7
137.37248	2.0
139.07536	2.7
141.07039	2.9
142.07765	3.6
143.08592	10.9
145.10107	23.0
147.08049	14.6
147.11674	20.0
147.64319	2.2
149.09596	12.8
151.11240	2.1
153.09132	5.9
153.12799	5.4
155.08516	3.2
157.10138	22.0
158.10591	2.5
159.08037	3.9
159.11694	7.9
161.09576	12.2
163.11162	18.5
165.09132	3.9
165.12796	4.9
167.08553	2.2
169.10135	3.4
171.11679	4.0
173.09604	4.5
173.13293	3.6
175.11183	20.8
177.12700	3.7
181.10063	3.3
181.12288	5.8
185.09592	2.1
185.13281	4.3
189.11269	16.1
191.10614	4.8
193.12231	51.0
195.11749	2.3
205.12241	2.5
211.11244	4.4
211.13272	73.8
212.13531	3.4
213.12721	2.1
217.15836	3.1
222.68929	2.1
223.13318	5.6
227.12793	25.7
227.14896	3.8
227.17815	2.0
231.17825	2.3
245.19055	5.1
249.14836	2.5
255.17427	5.1
267.15887	36.9
269.17572	4.2
273.18512	45.6
274.19180	2.6
275.20123	2.7
283.15439	8.8
285.16949	83.7
286.17282	4.0
291.19534	79.5
292.19992	5.4
309.20569	11.0
347.22159	12.5
365.23224	43.6
366.23563	3.0
383.24261	17.6
437.25452	2.3
441.24255	2.5
447.27859	3.8
455.26068	4.6
465.30698	3.2
479.30258	4.1
480.30423	2.4
483.30771	4.8
485.56656	2.1
539.33630	9.2
540.33923	2.3
557.34705	62.3
558.35022	3.6
575.35767	81.8
576.35999	7.7
593.36768	40.8
594.36841	3.1
952.48169	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.5187
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	8.6
69.03410	5.9
76.07508	2.7
79.05489	10.5
81.03450	4.7
81.07057	10.8
83.04984	4.4
85.49448	2.4
91.05481	11.6
92.97301	2.8
93.07053	5.5
95.04963	4.4
95.08573	4.5
105.07033	16.4
107.04969	2.9
107.08592	5.7
111.04452	2.9
115.05485	6.1
117.07011	8.6
119.08591	10.4
121.06554	4.6
121.10145	6.3
128.06203	6.1
129.06984	10.8
131.08537	14.6
133.06502	5.0
133.10109	8.6
135.08044	3.4
136.43510	2.7
141.06973	6.8
142.07788	12.7
143.08614	14.1
145.06453	4.6
145.10141	10.1
147.08041	8.4
147.11652	4.8
149.09682	3.6
154.07825	2.9
155.08522	12.7
156.09348	10.5
157.06523	3.5
157.10109	25.9
159.11650	5.2
161.09602	10.1
165.06888	5.0
167.08527	4.3
169.10103	16.5
171.08032	7.5
171.11670	20.8
173.09647	7.0
173.13284	8.9
175.11203	13.4
178.07771	3.0
179.08601	7.7
180.09343	3.4
181.10136	11.1
182.07318	3.3
182.10884	3.3
183.07959	5.6
183.11699	6.4
184.08900	3.0
185.09656	13.4
187.11162	4.5
189.09192	3.4
192.09430	3.2
193.10208	5.1
194.10887	2.8
195.07990	3.3
195.11696	9.0
197.09586	18.1
197.13252	8.9
199.11227	12.4
203.10655	26.3
206.10951	3.3
207.11676	11.9
208.08716	3.0
208.12260	3.4
209.09663	4.5
209.13255	7.7
211.11220	4.4
211.14853	11.4
213.12881	3.3
217.12222	15.0
219.11664	5.9
221.09752	3.3
221.11494	13.2
221.13487	6.4
223.11162	8.3
223.14861	3.9
225.12778	6.3
229.49313	3.0
232.12347	3.0
235.11034	3.1
237.12840	8.0
239.14302	30.1
241.12244	3.2
243.11729	3.1
244.12335	2.8
247.14961	2.7
257.15347	7.3
259.14703	3.5
267.16077	3.7
273.12677	3.5
275.14056	3.4
287.14392	3.1
299.17963	3.4
353.18704	3.2
375.23132	4.0
393.24109	4.4
395.23749	3.1
399.23425	4.8
405.21906	4.2
413.24747	79.6
414.24988	9.8
423.23169	18.5
424.23813	2.9
431.26016	15.2
441.24255	95.5
441.30463	5.4
442.24387	12.6
459.25305	100.0
460.25769	13.5
461.28848	5.3
477.26416	25.6
599.44788	2.8
780.78595	3.0
899.57745	2.9
953.42780	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	2.6
69.03429	3.2
79.05487	4.3
81.07044	2.5
87.04486	2.1
91.05493	7.7
93.07049	4.5
95.04974	1.2
95.08619	2.4
97.46852	1.0
98.23386	3.5
103.05449	1.4
105.07038	11.7
107.08601	4.0
109.06539	1.0
111.04438	1.2
115.05447	4.7
116.39672	1.0
117.07027	15.1
119.08598	3.8
128.06230	5.4
128.76566	0.9
129.07011	10.5
131.08586	9.4
133.06508	6.1
133.10126	2.8
141.07010	5.8
142.07762	8.4
143.04956	1.1
143.08566	14.1
144.09105	1.1
145.06505	1.4
145.10114	9.6
147.08084	2.3
155.08534	8.4
156.09367	16.4
157.06462	4.9
157.10130	19.4
159.08055	2.2
159.11697	2.7
161.05989	10.5
161.09641	1.6
165.07059	4.4
166.07780	1.8
167.08606	3.6
168.09373	1.2
169.06387	1.5
169.10144	9.0
171.08116	5.5
171.11699	44.3
172.12054	1.3
173.09628	2.7
173.13306	3.4
175.11253	2.4
178.07739	1.8
179.08568	3.6
180.09335	3.2
181.10114	6.1
182.10887	1.9
183.08061	2.1
183.11694	2.1
184.08812	4.9
185.09647	6.2
185.13269	2.5
187.11218	1.2
189.09157	2.2
192.09337	2.5
193.10150	3.4
194.10869	2.8
195.08083	2.2
195.11726	7.8
197.09592	5.3
197.13315	3.8
199.11186	24.5
200.11598	1.3
202.09900	1.3
203.08719	1.3
203.10666	1.5
205.10138	1.9
206.10982	2.8
207.11702	13.5
208.12270	1.3
209.09671	2.6
209.13185	5.0
210.10397	2.5
211.11185	2.0
211.14891	1.5
213.12733	2.5
217.10182	1.4
217.12247	40.4
218.12640	2.2
219.11653	1.7
221.09601	2.2
221.13246	5.0
223.11313	6.1
223.14763	3.1
225.12718	12.0
231.11719	2.9
232.12328	1.6
233.13214	2.9
235.11215	2.2
235.14751	1.5
237.12796	2.4
241.12254	1.5
243.11644	2.0
243.13832	1.4
245.13260	3.6
246.14072	1.2
247.14867	2.6
253.12341	1.7
255.13832	1.8
257.13181	2.2
259.11072	2.5
259.14868	2.6
261.12756	1.6
261.16364	1.8
263.14304	1.4
271.14886	1.4
273.12979	1.3
275.14383	1.5
285.12643	1.3
285.15906	1.4
295.14825	1.5
296.15524	1.6
297.12708	1.5
297.16068	1.5
299.14343	1.5
299.17877	1.9
301.15793	1.2
301.19440	2.5
307.14651	1.3
313.19382	1.4
315.21124	2.0
335.17700	1.3
343.20547	1.8
351.19504	1.0
383.19778	2.4
395.23987	2.4
399.23224	3.6
401.21063	2.1
405.22049	2.1
413.24756	100.0
414.25089	9.6
415.26276	2.0
423.23187	11.3
441.24252	97.3
442.24573	9.5
459.18762	2.2
459.25262	42.2
460.25699	4.4
572.42902	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6138
Annotation	Unknow
Peak:m/z	Relative Intensity
66.89536	0.9
67.05505	85.5
68.05837	0.9
68.66967	1.0
69.03431	3.9
69.07065	19.8
70.55138	2.3
71.04996	3.4
71.08624	1.0
73.02913	6.4
79.05489	55.8
80.05807	1.4
81.03394	1.5
81.07055	86.5
82.07393	1.2
83.04994	2.1
83.08607	10.4
85.02903	21.4
85.06530	2.6
91.03960	14.2
91.04895	1.3
91.05478	39.5
93.07042	66.7
94.07365	1.6
95.04964	7.0
95.08604	71.5
96.08929	1.3
97.02891	14.4
97.06526	2.9
97.10176	4.6
99.04453	1.9
99.08101	1.8
100.97411	1.1
105.04490	1.9
105.07027	29.5
107.08591	37.5
109.02817	1.2
109.06538	2.3
109.10148	31.2
111.08097	2.6
113.09595	1.1
115.05437	1.0
117.07040	9.0
119.08571	22.0
121.10137	30.5
122.10535	1.1
123.08085	1.6
123.11704	12.0
125.09592	1.3
127.03938	5.4
129.07013	2.6
131.08569	20.5
133.10132	21.5
135.11685	17.5
137.13239	2.7
139.11221	1.1
143.08545	2.7
145.04927	6.3
145.10107	14.4
147.11676	14.7
149.13252	12.3
151.11165	1.2
157.10109	3.1
159.11682	11.6
159.89807	1.0
161.13260	11.0
163.05975	6.9
163.14784	5.1
165.12813	1.4
169.10107	1.7
171.11636	4.5
173.13220	11.7
175.14803	3.4
177.12703	1.4
177.16383	2.0
185.13315	3.2
187.14766	5.7
189.16463	1.6
199.14861	3.5
201.16336	2.5
203.17853	1.0
231.21214	1.3
241.19543	4.2
243.21091	5.6
259.20541	9.9
261.22134	23.5
263.23730	2.3
279.23123	1.1
291.23218	1.2
299.23462	1.3
317.24796	3.8
333.24091	6.7
335.25778	100.0
336.26157	6.0
337.27356	13.8
377.84662	1.0
521.43420	3.1
539.44067	1.3
543.40204	1.8
595.47192	16.4
596.47211	2.1
613.48236	15.8
614.47784	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6139
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	74.7
67.51225	0.9
69.03429	3.6
69.06724	1.4
69.07072	16.6
70.83482	2.0
71.04998	2.8
71.08604	1.0
71.42259	0.9
73.02912	3.6
73.89471	0.8
79.05495	53.9
80.05801	1.5
81.03415	2.0
81.07059	76.6
82.07390	1.9
83.04972	2.3
83.08615	7.8
85.02908	19.5
85.06553	2.9
91.03957	13.3
91.05483	31.4
93.07045	57.5
93.36823	1.0
95.04978	6.0
95.08609	59.4
96.08944	1.0
97.02893	10.7
97.06540	4.2
97.10171	2.9
99.04462	1.6
99.08109	1.9
105.04507	1.4
105.07031	28.6
107.08592	29.7
107.45547	1.0
108.08862	0.9
109.06541	1.1
109.10160	27.3
111.08081	1.8
115.05547	1.3
117.07018	9.7
118.51774	0.8
119.08587	19.0
121.10144	26.0
123.08086	1.3
123.11719	9.8
125.09600	1.1
127.03924	5.5
129.07002	2.9
131.08572	19.1
133.10126	16.5
135.11693	15.8
137.09636	1.5
137.13280	2.8
139.11172	1.8
141.06993	1.0
143.08542	2.3
145.04929	6.4
145.10129	13.8
147.11681	11.8
149.13263	10.0
151.14850	1.2
157.10138	2.4
159.11678	11.1
160.12010	1.3
161.13257	8.9
163.06029	6.8
163.11171	0.8
163.14845	5.2
171.11699	3.8
173.13255	8.0
175.14799	5.9
177.16414	1.9
185.13275	2.8
187.14853	4.6
189.16374	1.5
191.18063	0.9
199.14888	2.2
201.16409	2.3
217.19568	1.2
231.21144	1.5
236.14954	0.8
241.19550	3.7
243.21092	6.4
245.22723	1.0
259.20572	9.6
261.19330	1.2
261.22156	23.3
263.23740	3.0
279.23270	1.5
299.23642	2.6
317.24677	3.1
333.24329	5.5
335.25806	100.0
336.26154	6.7
337.27390	13.2
338.27719	1.2
521.43347	2.2
539.44592	1.3
543.40454	1.3
595.47260	14.4
596.47156	1.1
613.48273	17.1
614.47919	1.3
675.85809	1.0
976.39142	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
66.95261	0.6
67.05507	3.9
69.03076	1.1
69.03430	12.6
69.07066	2.2
69.29209	4.2
70.07016	0.5
71.04985	4.3
73.02913	3.9
79.05497	3.6
81.03413	18.3
81.07050	7.8
83.01343	1.0
83.04980	1.8
83.08601	1.2
85.02904	65.8
86.03225	0.6
87.04475	1.5
88.16164	0.5
91.03930	1.1
91.05476	3.2
93.07039	7.6
95.04979	1.8
95.08047	1.0
95.08611	14.3
97.02889	33.4
97.06531	2.1
99.04454	47.9
101.91048	0.6
103.03939	79.0
104.04271	0.7
105.07037	5.0
107.08597	9.5
109.02881	21.9
109.10158	6.7
111.08076	1.5
115.03958	1.7
117.07008	0.9
119.08575	9.2
121.06518	1.2
121.10143	9.1
123.08007	1.3
123.11732	3.2
127.03914	100.0
128.04260	1.8
131.08565	1.9
133.10132	5.5
135.08043	1.3
135.11696	3.9
137.09604	0.9
141.09076	0.7
143.08542	1.1
145.04956	61.0
145.10095	3.5
146.05289	1.1
147.08058	1.1
147.11678	5.0
149.09645	0.8
149.13263	1.9
153.09102	1.4
157.10109	1.9
159.08119	0.6
159.11722	3.9
161.09615	3.1
161.13266	5.5
163.06018	40.3
163.11232	0.8
163.14771	1.7
164.96313	0.7
165.09067	1.0
167.10632	0.7
169.04959	1.0
169.10126	0.8
171.11681	1.4
173.09612	0.7
173.13284	3.4
175.11174	1.9
175.14792	3.1
177.12708	0.6
177.16431	0.6
181.12241	1.8
183.11702	0.7
185.13205	0.8
187.06047	5.5
187.14738	1.3
188.46951	0.6
189.12688	0.6
189.16383	2.5
193.12312	0.6
197.13286	1.1
199.14859	1.4
201.16379	1.8
203.14273	1.2
205.07079	4.2
207.13887	0.8
215.17868	1.1
217.15915	2.2
221.15410	2.6
223.16826	1.1
229.15825	1.4
231.17378	0.9
233.15253	0.9
235.16942	6.2
236.17245	0.9
247.16946	2.1
249.18457	3.2
253.07158	1.9
261.18509	0.8
271.08109	9.5
289.09161	6.8
307.10245	10.5
329.24554	1.4
341.31070	0.7
343.26251	5.1
355.26273	2.3
407.33130	0.9
408.09409	0.6
417.31476	1.9
425.34213	4.2
435.32651	9.2
453.33655	12.5
454.33966	1.0
471.34677	13.4
472.35516	1.0
516.83771	0.7
561.36102	0.7
573.39935	0.8
579.36316	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6294
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	94.0
68.05825	1.2
69.03428	4.5
69.07069	31.7
71.04985	2.5
71.08633	2.3
73.02916	5.7
76.16803	1.1
76.97045	1.0
79.05490	48.9
80.05810	1.2
81.03406	2.1
81.07055	100.0
82.07369	1.7
83.04960	2.7
83.08618	18.1
85.02901	23.1
85.06532	3.3
85.10198	1.1
88.78584	0.9
91.03957	15.6
91.05476	31.8
93.07040	58.8
95.04975	4.2
95.08603	73.5
96.04526	1.0
96.08924	1.7
97.02877	13.3
97.06535	4.9
97.10166	8.4
98.23351	2.0
99.04444	1.8
99.08105	2.3
105.04502	1.4
105.07026	24.8
106.07329	1.0
107.08593	31.8
109.02820	1.3
109.06500	2.0
109.10149	34.0
110.10475	1.5
111.08060	4.3
111.11722	1.4
115.03919	1.5
117.06995	6.7
119.07761	1.7
119.08576	21.0
121.10136	31.8
123.08036	2.2
123.11693	15.0
125.09644	2.2
127.03911	5.4
129.06963	2.1
130.07787	0.8
131.08562	12.8
133.10120	20.4
133.11055	1.7
134.10439	1.4
135.11687	18.7
137.09613	1.2
137.13229	4.5
143.08553	1.7
145.04979	8.3
145.10130	11.7
147.11679	11.4
149.13252	11.1
151.14842	2.6
157.10126	2.4
159.11705	7.7
161.13255	8.5
163.06010	10.5
163.14827	7.5
165.16435	1.2
169.77542	0.9
171.11694	2.1
173.13274	7.1
175.14848	5.6
177.16331	3.4
185.13243	2.4
187.14828	4.5
189.16312	1.9
199.14862	2.1
201.16431	1.6
203.17993	1.0
215.17929	1.3
233.22531	1.0
241.19542	2.0
243.21091	9.4
245.22737	2.9
259.20615	7.9
261.22137	23.3
262.22427	2.1
263.23734	5.5
277.21750	1.2
289.25342	1.4
301.25220	1.3
317.24661	3.9
333.24179	5.0
335.25790	77.2
336.26086	6.5
337.27338	82.1
338.27606	4.0
339.28879	5.8
373.30667	1.0
405.28671	1.0
505.44302	1.0
523.44861	2.7
541.45966	2.1
589.99554	0.9
593.91296	1.0
595.38428	1.0
597.48749	35.3
598.48792	3.8
615.49707	36.4
616.50220	4.6
712.52301	1.0
787.20056	1.0
908.71802	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6286
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	77.2
69.07068	32.4
69.24471	25.5
69.69450	3.8
79.05492	50.7
80.03458	3.8
81.07050	100.0
82.07407	5.3
83.08624	15.6
85.02892	26.1
91.03956	16.4
91.05476	29.5
93.07043	54.1
95.04942	4.2
95.08606	62.3
97.02908	8.7
97.10179	8.6
98.22643	8.1
105.07029	20.4
107.08593	29.1
109.10140	28.8
111.10973	3.7
113.09627	4.3
117.07043	9.5
119.08581	20.4
121.10149	24.6
123.11711	8.2
127.03979	6.2
129.07040	3.9
131.08571	11.5
133.10115	18.7
135.11687	16.7
137.13196	7.1
142.34431	4.6
145.04970	6.9
145.10167	10.7
147.11716	11.7
149.13286	12.1
159.11687	6.8
161.13251	10.8
163.05998	9.3
163.14816	6.9
166.16612	3.6
173.13284	6.8
175.14873	6.2
243.21140	5.4
245.22626	4.2
259.20563	6.4
261.22086	20.1
335.25836	60.0
336.26120	6.8
337.27356	60.4
338.27359	4.6
339.28915	6.4
378.87891	4.5
479.29660	3.9
597.48560	21.4
615.49646	36.5
682.80536	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.5673
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	7.7
69.03429	1.4
69.06726	0.8
69.07072	9.1
69.22992	3.0
71.04999	0.6
71.08633	0.5
79.05488	4.6
81.07061	11.2
83.04980	6.7
83.08631	2.8
85.06543	1.7
91.05489	8.2
93.07045	14.3
95.04975	2.4
95.08605	25.8
97.06532	1.7
97.10173	1.9
105.07032	16.7
107.05012	0.5
107.08604	13.1
109.05849	0.4
109.06501	2.6
109.10162	7.5
110.18156	0.5
111.04447	2.9
111.08085	5.2
113.06020	1.1
115.05454	1.1
117.07016	4.4
119.08585	19.8
121.06529	2.6
121.10143	8.8
123.08086	6.9
123.11697	2.3
125.09605	1.6
128.06229	2.1
128.62309	0.5
129.06993	4.3
130.07814	0.9
131.08571	12.8
133.06514	0.8
133.10126	13.3
135.08073	3.1
135.11699	4.9
137.05983	1.6
137.09639	0.9
137.13234	0.9
139.07544	2.2
141.07024	1.8
141.09116	2.5
142.07780	2.9
143.08566	14.5
144.09300	1.6
145.06467	1.0
145.10132	17.6
147.08060	2.8
147.11691	8.5
149.09621	1.8
149.13275	1.9
151.11186	0.9
153.07050	0.7
155.08566	4.3
156.09349	3.9
157.10130	20.1
158.10812	1.8
159.08095	2.5
159.11707	15.8
160.12192	0.6
161.09634	7.6
161.13255	10.0
162.13663	0.9
163.11188	3.9
163.14844	0.8
165.07008	0.5
166.07590	0.6
167.08562	1.2
168.09412	0.5
169.10133	6.2
170.10857	1.1
171.08098	1.4
171.11687	15.9
172.08810	1.1
172.12379	0.8
173.09648	3.4
173.13264	11.6
174.10268	0.5
175.11197	5.4
175.14838	3.4
177.09140	0.6
177.12798	0.9
179.08551	1.1
179.10690	1.2
180.09369	1.2
181.10135	2.2
182.10942	1.9
183.11713	6.8
184.12477	1.5
185.09671	1.8
185.13257	12.0
186.10416	0.7
186.13896	1.2
187.11217	4.7
187.14822	10.1
189.12737	5.5
189.16411	2.0
191.10640	0.8
192.09325	0.6
193.10156	1.5
194.11014	0.9
195.11671	4.7
196.12471	1.0
197.09662	1.0
197.13269	7.2
198.14079	1.2
199.11212	2.3
199.14828	7.9
200.11575	0.6
201.12743	3.7
201.16388	4.0
203.14232	2.9
203.17940	2.8
205.10335	0.6
205.12251	1.5
207.11684	2.0
207.13753	0.7
208.12488	0.6
209.13232	4.7
210.13956	0.6
211.11301	1.2
211.14825	7.2
213.12791	5.0
213.16339	4.5
213.97647	0.6
215.14313	4.3
215.17754	0.5
217.15932	0.7
219.11826	0.7
221.13319	1.4
222.13972	0.7
223.14737	3.6
224.15347	0.6
225.12790	1.9
225.16293	3.9
226.17075	1.2
227.14381	4.9
227.17921	11.3
228.18407	0.8
229.15863	5.4
229.19524	0.9
231.13896	1.1
231.17557	0.9
235.14871	1.4
236.15402	0.6
237.12733	0.5
237.16354	2.1
238.17136	0.8
239.14377	2.3
239.17915	3.9
240.18790	1.0
241.12129	0.7
241.15909	2.5
241.19482	8.9
242.19989	0.7
243.21054	3.3
245.15404	0.8
249.16373	1.6
251.14362	1.0
251.18015	3.4
252.18471	0.7
253.15863	1.1
253.19614	2.0
254.20119	0.6
255.13779	0.8
255.17511	3.5
255.21236	0.6
259.16943	0.6
261.16382	0.8
265.15948	1.1
267.17441	2.9
267.21042	1.8
268.18155	0.6
268.21875	0.8
269.19019	10.2
269.22226	0.8
279.17639	0.8
281.19034	1.9
282.23450	1.3
283.16888	1.2
287.20209	0.9
291.17502	0.7
293.19119	0.9
295.17072	1.3
295.20584	4.1
297.18631	0.7
297.22061	0.8
299.20169	0.8
301.21475	1.4
307.20490	1.2
309.18765	0.8
309.22101	1.0
311.20148	2.4
313.21854	0.7
323.23734	1.4
325.21695	0.9
327.19507	1.0
327.23151	1.1
333.22177	1.5
341.21201	0.8
345.25818	0.8
349.25330	1.5
351.23260	6.8
363.27014	2.7
365.24478	0.5
367.26343	18.8
368.26572	1.2
369.24237	32.7
370.24396	2.3
373.25336	1.6
377.24802	0.8
381.23572	0.8
381.27890	8.2
383.29349	3.2
385.27478	2.3
389.24747	1.0
389.71469	0.5
391.26312	10.2
405.24292	0.9
407.25827	1.7
409.27368	100.0
410.27686	8.4
417.24243	1.9
423.25113	0.8
427.28436	0.7
435.25281	3.1
453.26328	0.7
488.30164	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.6452
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	63.4
69.03426	2.4
69.07073	28.6
70.81810	1.1
71.04994	2.6
71.08624	2.5
73.02915	4.4
73.06525	0.6
73.93320	0.6
79.05495	23.3
81.03415	1.4
81.07059	72.9
82.07380	1.1
83.04974	2.5
83.08138	1.2
83.08621	18.2
85.02908	16.3
85.06540	1.7
85.10176	1.3
91.03960	10.1
91.04958	1.1
91.05482	15.1
93.07048	26.1
94.07403	0.8
95.04970	1.2
95.08607	55.8
96.08932	0.9
97.02882	8.8
97.06537	4.6
97.10168	9.4
99.04449	1.1
99.08081	2.4
105.07027	11.8
105.07678	1.3
107.08601	14.0
109.02865	0.8
109.06506	1.4
109.10157	22.5
109.10915	1.3
109.69405	0.6
111.08066	2.3
111.11698	1.8
113.09731	0.8
115.03928	0.7
117.07021	2.0
119.08573	10.3
121.10144	14.0
123.08052	1.4
123.11718	9.0
125.09634	1.2
127.03901	4.2
131.08617	4.1
131.09439	0.8
133.10130	10.8
135.11694	6.7
137.09619	1.0
137.13271	4.5
139.11121	1.4
142.17818	0.6
145.04962	5.3
145.10152	3.3
147.11703	5.1
149.09604	0.7
149.13268	4.2
151.14792	2.5
153.12740	0.7
159.11702	2.6
161.13261	5.2
163.06004	5.7
163.14796	3.9
165.12843	0.7
165.16399	1.4
167.14294	0.9
171.11812	0.7
173.13280	2.1
175.14760	3.1
177.16339	1.3
179.18016	0.6
189.16440	1.5
191.14268	0.6
191.18002	1.2
193.15910	0.8
203.17938	1.2
215.17981	0.7
218.74184	0.7
243.21140	3.8
245.22682	4.7
261.22131	5.9
262.43326	0.7
263.23709	6.8
275.23547	1.0
279.23035	0.9
289.25241	0.9
317.24738	0.9
319.26425	0.9
335.25742	7.2
337.27356	100.0
338.27765	6.1
339.28915	11.3
361.29620	0.7
483.18890	0.7
491.37247	0.7
499.32742	0.6
511.50824	0.7
525.46411	2.8
533.41248	0.7
543.47699	2.2
599.50336	39.7
600.50427	4.6
617.51404	35.8
618.52197	3.5
897.80206	0.8
963.03662	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.6456
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	65.5
69.03430	3.1
69.07068	36.9
71.05011	2.0
71.08631	4.2
73.02921	4.5
79.05487	31.0
81.06578	3.4
81.07054	67.2
83.04986	2.5
83.08614	20.3
85.02892	19.1
85.06543	1.9
85.10170	2.4
86.32738	1.5
91.03954	14.2
91.05468	13.7
93.07049	31.6
93.61173	1.5
95.08606	58.2
97.02338	1.6
97.02863	9.9
97.06541	3.1
97.10149	9.2
98.23365	2.9
99.08095	3.0
105.07014	10.8
105.63770	1.5
107.08598	17.7
108.71503	1.5
109.10137	20.6
111.08137	2.5
111.11728	3.1
117.06986	1.8
119.08578	12.2
121.10136	17.6
123.11727	11.0
125.09602	2.6
127.03928	6.9
131.08577	6.9
133.10152	8.5
135.11674	11.4
137.13297	4.9
145.05008	7.2
145.10190	4.6
147.11685	8.4
149.13269	7.6
151.14790	3.9
159.11679	4.0
161.13249	6.2
163.05994	10.1
163.14824	7.1
173.13263	3.2
175.14819	4.4
177.16412	3.1
201.16257	1.7
228.83836	2.1
233.22528	1.7
243.21082	5.5
245.22749	3.5
261.22171	16.7
263.23730	5.5
265.25204	2.5
317.24725	3.4
335.25806	45.3
337.27356	100.0
338.27765	4.3
339.28931	52.1
342.20255	1.7
442.09967	1.7
525.46588	2.8
543.47552	2.5
579.67169	1.9
599.50226	50.0
600.50446	5.1
617.41870	2.6
617.51373	41.1
618.51422	2.5
661.14240	1.7
863.51752	1.9
904.47028	2.1
959.56738	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5696
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.6
68.41055	0.4
69.03423	3.6
69.07067	0.6
73.02927	2.9
79.05509	2.0
81.03426	0.8
81.07054	2.5
85.02906	4.7
91.03966	2.6
91.05505	1.2
93.07041	3.2
95.08627	1.9
97.02898	5.2
98.22643	1.1
99.04479	0.9
101.02411	1.8
105.07022	0.8
107.08626	1.1
109.02912	0.9
109.10203	1.0
119.08607	1.0
121.10163	0.9
127.03883	0.9
128.94263	0.5
131.08614	0.5
135.11726	0.5
170.07648	0.4
185.04359	0.9
203.05249	0.6
243.08542	1.8
288.53879	0.5
347.09610	1.6
363.09167	0.5
405.13715	4.4
452.25092	0.6
479.31509	0.5
519.29492	5.7
629.94336	0.6
681.34595	11.8
681.45648	0.9
682.34686	0.7
697.01569	0.5
759.41150	0.5
797.51074	1.0
959.56976	100.0
960.57397	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5815
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	7.3
71.31724	6.3
79.05499	4.6
84.07472	3.9
88.21532	4.1
91.05476	6.3
93.07037	4.9
95.08598	14.8
105.07023	6.8
107.08592	7.5
119.08600	8.0
123.26846	4.1
129.06956	5.0
143.08569	4.0
145.10039	5.2
149.38744	3.8
155.08603	4.8
157.10106	9.2
171.11580	6.2
193.10152	5.2
194.10831	4.2
195.11778	4.6
199.14815	5.4
207.11589	6.7
209.09584	4.6
211.11166	4.0
221.13152	5.9
235.11064	4.1
249.12718	5.5
251.14246	11.6
263.14243	10.9
277.15802	3.9
301.67157	4.2
305.18970	20.5
417.27951	9.4
427.26358	9.7
445.27380	100.0
446.27518	9.2
463.28363	29.8
705.82654	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5851
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	3.1
68.83871	0.3
69.03426	4.0
69.07088	1.1
70.81741	0.7
71.01379	0.4
71.05016	0.4
73.02919	3.4
79.05495	2.2
81.03448	1.0
81.07056	3.8
81.07471	0.4
83.08622	0.4
85.02899	6.0
85.03356	0.4
86.04893	0.3
91.03949	3.4
91.05505	1.1
92.15093	0.3
93.07044	2.1
95.08605	2.5
97.02882	5.2
97.03408	0.4
99.04499	1.0
101.02376	2.0
102.72321	0.3
104.93009	0.3
105.07095	0.6
107.08613	0.9
109.02919	0.6
109.10188	1.0
110.10512	0.3
115.03965	0.4
119.08614	0.7
121.10162	1.0
127.03974	1.4
130.75163	0.3
133.10181	0.6
145.04971	0.3
161.13237	0.4
162.30260	0.3
185.04279	0.5
203.05290	0.7
243.08389	2.1
304.72284	0.4
335.25812	0.6
336.26315	0.4
337.27005	0.3
342.31113	0.5
347.09677	1.4
363.09259	0.4
365.10629	1.1
405.13669	4.2
434.16803	0.3
519.29224	2.6
521.30688	2.8
681.34424	6.1
682.35333	0.5
683.36047	6.1
683.46954	0.6
684.36560	0.5
685.88031	0.3
799.53534	1.2
957.25372	0.4
961.58496	100.0
962.58734	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	0.3
68.99781	2.3
69.03441	0.8
70.06592	100.0
71.06924	1.3
74.73115	0.3
77.03931	0.6
79.05485	1.4
81.03414	1.0
81.07036	0.7
88.18601	0.2
89.03901	2.4
91.05486	1.9
93.03403	0.9
95.00823	0.3
95.04967	1.8
98.23351	0.7
103.05470	1.5
105.03373	0.5
107.04951	4.0
109.02904	0.3
109.06499	1.5
111.00811	0.5
111.04460	0.7
115.05453	0.6
117.03379	1.2
119.04935	1.8
121.02853	0.3
121.06519	0.5
123.04430	12.3
127.03916	2.0
131.04924	1.5
133.06544	0.4
135.04413	42.9
136.04745	0.9
137.02351	0.8
137.05974	9.3
137.07043	0.5
138.09171	0.5
139.03891	6.1
145.02806	0.3
147.04404	3.0
149.06017	1.1
151.03891	2.3
153.05502	2.9
153.06633	0.4
155.04984	0.3
157.06505	0.5
159.04398	2.6
159.05460	0.3
161.02344	0.5
161.05962	2.3
163.03903	38.7
164.04552	1.5
165.05475	20.8
166.05829	0.6
171.04506	0.4
173.06007	0.8
175.03915	1.8
176.07095	1.0
177.05461	3.5
177.06825	0.4
179.03456	0.9
179.08461	0.5
181.06555	0.4
183.04475	0.3
183.08218	0.3
187.03899	7.0
187.05429	0.5
189.05499	2.0
189.06960	0.4
191.03406	0.6
193.04965	0.7
193.06592	0.4
195.08118	0.4
199.07657	0.3
201.05502	1.3
203.03473	1.0
203.06995	0.3
205.04930	3.3
211.07550	0.6
213.05455	1.0
215.03445	0.5
215.07050	0.8
217.05020	1.7
227.07022	1.1
228.14305	0.4
228.74574	0.4
229.04935	2.1
233.04576	0.4
235.07611	0.6
237.05545	0.4
239.07072	0.7
241.04985	1.3
241.08621	0.3
243.06410	0.7
245.04527	0.8
247.05980	2.8
253.05095	0.3
253.08781	0.4
255.06528	1.5
257.04449	2.0
259.06052	2.3
261.04031	0.4
263.07153	0.5
265.05109	0.4
267.06555	1.1
269.04388	0.8
269.08154	0.5
271.05969	3.8
273.07590	1.4
275.05539	0.6
281.04730	0.4
281.07968	0.6
283.05991	7.7
285.07550	8.2
286.07874	0.4
287.05597	1.7
289.07037	2.8
291.08820	1.3
295.06027	1.3
297.07544	1.3
299.05426	0.7
299.08945	0.6
301.06940	2.6
307.06143	0.4
309.04178	0.5
309.07471	2.2
310.10773	0.4
311.05591	0.4
313.07056	1.6
315.08496	1.6
323.05569	1.0
325.07028	1.9
327.08652	5.6
333.07507	0.4
335.05585	0.6
338.10358	0.8
347.53558	0.3
361.07095	0.4
366.13272	0.3
384.14349	9.6
385.14706	0.6
387.08771	0.4
389.06610	0.9
391.08258	0.5
403.08167	1.1
409.09167	3.6
411.11053	0.5
415.07840	0.5
417.09607	0.6
419.07623	0.7
421.09183	1.1
423.10904	0.5
427.10236	1.4
431.07669	1.9
433.09042	1.4
435.10684	0.6
443.07553	1.0
445.09668	1.3
447.64426	0.4
451.10394	2.0
463.10199	4.4
464.10928	0.4
475.10315	0.4
555.12579	0.5
565.11572	0.6
571.12274	0.9
579.14917	3.3
583.12213	0.7
585.13873	0.5
589.13501	0.9
597.13965	0.4
603.14929	1.1
615.14545	2.6
617.16272	0.3
664.28033	0.3
672.20673	0.7
699.16797	0.8
723.16290	0.5
735.16901	0.8
741.18365	0.5
753.18170	3.0
754.19403	0.4
871.59113	0.3
893.22449	0.7
905.22888	2.2
962.28571	13.5
963.28143	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6044
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04815	1.8
67.05200	3.3
67.05507	32.6
69.03429	10.2
69.07072	26.8
71.05003	2.2
71.08635	19.3
73.02921	1.6
75.48122	0.9
77.03951	0.8
79.05498	23.4
81.03423	6.5
81.07056	30.1
83.04981	2.8
83.08620	16.4
83.13227	0.8
83.21141	0.8
85.02897	5.9
85.06538	1.5
85.10187	11.5
89.06014	1.3
91.03967	2.8
91.05482	17.5
93.07057	16.4
95.04973	9.3
95.08610	23.3
97.02893	12.4
97.06535	2.7
97.10168	16.6
98.22994	4.8
99.11737	1.1
105.07031	13.3
107.04966	7.8
107.08602	11.4
109.06548	2.8
109.10165	11.5
111.08087	1.9
117.07011	6.6
119.04949	2.0
119.08586	11.1
121.06525	3.3
121.10152	5.2
123.08072	3.4
123.11733	2.6
125.09626	7.6
127.03935	2.2
128.06285	0.9
129.07016	2.8
130.07747	1.3
131.08580	8.5
133.06514	3.4
133.10152	4.9
134.07359	1.4
135.08057	3.4
135.11710	2.9
137.09628	2.4
143.08568	3.4
145.06548	1.0
145.10110	5.3
147.08012	5.6
147.11703	1.9
149.09601	1.7
149.13261	2.1
155.85637	0.9
157.10164	2.2
159.11746	3.0
161.09677	2.5
162.10439	1.2
163.11212	1.8
165.09099	1.7
169.10123	1.0
169.12151	1.0
175.11185	1.9
189.11253	3.9
193.12297	1.7
199.11267	1.1
205.12277	2.0
223.13300	17.5
224.13600	1.3
227.12820	4.1
239.23846	2.2
249.14926	3.3
257.24725	1.3
267.15802	1.2
270.76147	0.9
273.18509	14.2
291.19550	100.0
292.19952	6.1
309.20798	1.2
313.27359	78.5
314.27795	3.7
347.22083	2.0
365.23230	65.5
366.23611	4.0
483.37399	1.3
505.38770	1.3
523.39990	4.8
585.45050	1.3
603.46210	93.6
604.46521	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6038
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04836	2.7
67.05192	3.4
67.05503	34.3
68.91455	1.3
69.03421	3.5
69.07069	10.9
69.09367	7.5
69.09792	5.9
71.05000	3.4
71.08625	13.1
75.85537	1.6
79.05483	21.4
81.03413	5.8
81.07053	41.1
83.04972	6.6
83.08612	6.1
84.54429	1.5
85.02909	4.6
85.06540	2.8
85.10186	7.0
91.03948	1.8
91.05472	35.9
93.07044	20.0
95.04960	6.3
95.08604	18.7
97.02867	2.4
97.06507	4.3
97.10165	4.2
99.04447	1.6
105.07024	23.1
107.04961	4.7
107.08579	23.9
109.06525	4.8
109.10148	33.0
113.05949	2.0
117.07024	4.1
119.08571	7.4
121.06490	5.2
121.10135	4.9
123.11703	6.9
127.07645	1.6
131.08562	6.8
133.06493	2.9
133.10114	40.9
133.11058	3.2
135.08040	4.1
135.11676	3.7
143.08533	3.9
145.10170	4.3
147.08119	3.0
149.09592	4.0
151.11194	20.6
157.10143	3.3
159.08122	1.6
161.09612	4.2
169.12294	2.2
175.11229	3.2
177.09155	4.4
177.12822	1.9
206.91949	1.6
215.12645	1.6
227.17958	2.3
245.18974	2.6
251.12674	3.5
253.14336	100.0
254.14653	3.8
263.20081	2.6
273.18530	20.8
291.19504	24.2
309.20505	2.7
313.27344	46.7
341.26901	2.6
347.22263	9.8
365.23203	28.3
366.23608	2.5
466.52994	1.6
507.36768	1.7
509.38345	13.5
585.44745	5.7
603.36310	3.5
603.46118	71.5
604.45947	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6045
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05185	5.1
67.05509	26.5
69.03436	6.6
69.07072	24.0
69.26627	1.9
69.27032	3.8
71.04967	1.5
71.08628	16.1
73.02902	1.3
76.82174	0.8
79.05495	18.5
80.48691	1.0
81.03419	4.3
81.07061	22.6
83.04953	2.9
83.08617	12.8
85.02908	4.5
85.06479	0.8
85.09737	0.8
85.10188	10.7
87.91328	0.7
89.06005	1.7
91.03928	2.8
91.05481	12.9
93.07045	13.3
95.04974	6.5
95.08071	1.4
95.08613	21.4
97.02306	0.8
97.02897	12.5
97.06505	2.4
97.09624	1.0
97.10171	13.4
99.11733	0.9
103.07558	1.5
104.31132	0.9
105.06386	0.9
105.07033	11.1
107.04955	6.1
107.08600	10.3
109.02868	0.8
109.06496	3.1
109.10155	11.7
111.08066	1.4
117.07024	5.1
119.04959	1.1
119.08582	10.1
121.06462	2.6
121.10143	3.5
123.08031	3.4
123.11691	2.7
125.09642	7.5
125.13205	1.0
127.03942	1.0
128.62962	0.8
129.06996	2.7
130.07816	1.0
131.08556	7.1
133.06476	3.0
133.10126	4.7
134.07248	1.0
135.08070	3.7
135.11687	2.2
137.09584	1.5
137.13211	1.1
143.08514	2.3
145.04988	0.9
145.10133	5.3
147.08032	5.4
147.11659	2.6
149.13214	2.0
157.10091	3.1
159.08089	0.8
159.11678	2.5
161.09615	3.1
163.11200	1.1
165.09093	1.5
169.10072	0.9
169.12198	1.2
171.11722	2.3
173.13197	1.2
175.11174	2.0
177.12659	0.8
189.11220	3.3
189.12709	0.8
193.12183	1.3
195.13783	1.0
205.12251	2.3
211.13219	1.4
223.13280	19.7
223.15332	1.3
227.12845	5.3
237.16364	1.0
239.23636	0.9
245.18965	1.7
249.14838	3.4
255.17484	1.1
257.24698	1.4
267.15915	1.6
273.18454	12.7
281.86429	0.7
283.15430	0.9
291.19547	100.0
292.19907	4.5
313.27359	76.0
314.27759	2.7
347.22379	2.2
365.23233	66.0
366.23624	2.9
415.28329	0.7
446.78452	0.9
455.01740	0.8
468.37564	0.9
483.37405	1.0
505.39069	1.7
506.57172	1.0
523.40173	4.4
585.45203	1.6
603.46191	99.4
604.46619	10.4
857.54181	0.7
960.18341	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5225
Annotation	Unknow
Peak:m/z	Relative Intensity
73.70943	0.2
83.67635	0.3
98.23334	1.1
121.82667	0.3
147.57536	0.3
204.94975	0.2
209.39458	0.3
223.54352	0.3
273.56549	0.3
326.18311	0.3
339.23041	0.6
344.42349	0.3
349.21335	0.4
405.27670	4.7
406.27811	0.4
407.25592	30.3
408.25970	2.9
421.27084	4.8
431.25626	0.5
447.25259	1.0
449.26654	16.7
450.27054	1.3
463.24542	1.4
465.26083	1.2
475.24930	0.8
493.25613	100.0
494.25967	8.3
511.47021	0.3
522.91998	0.3
713.23468	0.3
799.92126	0.3
953.93707	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6013
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	3.4
69.03432	4.3
69.07071	1.3
70.13626	0.4
71.01360	0.6
71.04998	0.6
73.02911	4.8
73.03248	0.4
73.86062	0.3
79.05521	1.4
81.03416	2.2
81.07058	4.4
83.08625	0.9
85.02895	7.2
87.04491	0.5
91.03953	4.0
91.05508	1.2
93.07066	1.3
95.08617	2.8
97.02883	6.3
97.03394	0.4
97.10183	0.7
99.04484	1.0
101.02360	2.5
105.07073	0.7
109.02918	1.0
109.10191	1.3
115.03965	0.8
119.08669	0.4
121.10146	0.5
123.11707	0.6
127.03893	1.8
133.10191	0.6
135.11707	0.5
145.04996	0.7
180.87759	0.3
185.04303	1.3
203.05331	1.0
207.30141	0.3
216.02179	0.4
221.94498	0.4
224.41739	0.3
227.65605	0.3
228.84349	0.4
243.08444	2.6
256.98395	0.4
337.27539	0.9
347.09387	2.8
363.09137	0.7
365.10794	1.7
405.13657	7.2
521.30847	9.2
522.31500	0.5
683.36023	13.1
684.36810	1.2
801.54657	1.3
897.07874	0.4
963.60040	100.0
964.60364	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	3.6
68.99789	2.0
69.03436	0.7
69.07065	1.0
70.17671	0.3
71.02458	0.5
71.04999	0.6
71.57476	0.3
77.03945	0.5
79.05492	3.6
81.03423	6.2
81.07055	3.8
83.04981	2.4
83.08633	2.4
85.02909	2.6
85.16926	0.3
88.50257	0.3
89.03880	0.4
91.05488	3.9
93.03409	0.9
93.07045	2.3
95.04958	3.0
95.08622	1.0
97.02883	1.2
97.06535	0.6
97.10194	0.7
103.05472	0.7
105.07047	2.3
107.04948	1.1
107.08589	0.7
109.06503	0.7
109.10177	0.8
111.04442	5.9
111.08093	1.1
113.64036	0.3
115.05446	1.0
119.08569	1.9
121.02872	0.7
121.06506	0.4
121.10135	0.8
122.54998	0.3
123.04445	2.7
123.11652	0.3
127.03927	1.0
128.06200	0.3
129.06998	1.7
131.04941	0.7
131.08565	1.1
133.06560	0.5
133.10146	1.4
135.04428	1.2
135.08070	0.3
137.05965	0.8
139.03902	100.0
140.04263	2.5
141.05421	0.5
141.06987	0.4
145.06502	1.0
147.04370	0.6
147.11694	1.2
149.05966	1.4
149.09657	0.9
151.03925	4.1
153.05479	0.7
153.06993	0.7
157.06511	0.9
157.10127	1.1
161.05972	3.4
162.06358	0.3
163.03911	24.4
163.11130	0.6
164.04199	0.4
165.05492	0.7
165.06902	0.7
167.08539	0.5
169.06470	0.8
171.07968	0.4
173.05984	6.3
174.06450	0.5
175.03941	0.6
175.07559	1.4
175.11201	1.0
176.04655	0.4
177.05463	2.9
179.03418	1.0
181.04958	2.3
181.06474	0.9
183.08051	0.6
185.05977	0.8
187.03860	0.6
187.07559	4.1
189.05518	1.8
191.03386	0.6
193.06488	0.4
193.12265	4.4
195.08087	1.0
197.05991	1.1
199.07535	3.0
199.90253	0.4
200.04651	0.5
201.05457	1.9
201.09102	1.2
203.07033	0.4
205.04936	5.3
205.06624	0.5
207.08038	0.5
211.07553	2.3
211.13292	7.0
212.13719	0.5
213.05489	1.7
213.08937	1.6
215.07074	1.3
217.04869	0.8
223.07530	1.2
224.08374	0.4
225.09135	1.0
226.06157	0.4
227.06999	1.5
229.02879	0.4
229.05023	1.4
229.08572	0.4
235.05969	1.2
237.09056	0.5
239.07100	0.8
241.08549	0.4
247.05952	1.0
253.05157	0.4
264.19495	0.3
265.07028	0.6
267.06653	0.5
267.15930	2.7
268.16205	0.4
275.06940	0.5
279.06635	0.5
283.05954	0.4
283.08212	3.1
285.17041	9.2
295.06064	2.0
297.14832	0.6
299.16385	0.4
301.09183	6.4
308.06754	1.0
309.07565	0.6
309.14594	0.5
311.05576	0.4
313.07043	2.4
315.15924	2.8
317.08221	0.5
319.05664	0.5
321.07520	1.0
321.14896	0.3
322.08359	0.4
323.09012	0.6
325.14166	0.8
327.15979	2.5
333.07343	0.4
335.09164	0.7
339.15994	2.1
341.17465	0.5
359.18381	0.6
371.18307	0.4
389.19492	0.7
395.18680	0.3
401.19501	1.3
413.19693	0.8
421.16434	2.7
447.17996	4.3
448.18015	0.4
465.19104	3.2
477.19156	0.4
495.20044	1.0
513.19141	0.5
521.22180	0.7
531.27490	0.4
539.22308	1.5
551.29858	0.5
569.30573	0.8
575.29700	0.5
581.30688	0.9
593.31244	1.5
599.31866	1.0
611.32043	2.8
623.31714	1.2
627.31165	0.8
629.33203	0.5
641.32281	0.4
687.31006	0.8
705.32751	1.5
713.32117	0.7
723.33337	1.1
731.33698	2.4
749.35382	3.2
767.36407	2.6
768.35986	0.4
852.80963	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	3.7
68.70381	0.3
68.99791	1.7
69.03421	1.1
69.07061	0.7
70.57316	0.6
71.01331	0.5
71.04987	0.6
71.77950	0.3
71.90256	0.3
75.61378	0.3
79.05491	3.1
81.03410	5.5
81.07050	3.9
83.04993	2.2
83.08618	1.7
85.02905	3.0
91.05481	4.2
93.03388	1.1
93.07043	2.5
95.04972	3.4
95.08582	1.0
97.02882	0.6
97.06517	0.4
97.10164	0.7
105.04505	0.4
105.07014	2.9
107.04956	1.3
107.08592	1.2
109.06528	0.7
109.10137	0.6
111.04449	6.2
111.08064	1.0
112.37809	0.3
113.06010	0.4
115.05460	0.9
117.07019	0.4
119.08576	1.8
121.02853	1.0
121.10109	1.2
123.04418	2.8
123.07990	0.4
125.11629	0.4
127.03878	1.0
129.07014	2.0
131.04977	0.4
131.08568	1.4
133.06506	0.5
133.10103	1.3
135.04376	0.7
135.11624	0.3
137.06023	0.6
139.03897	100.0
140.04236	2.5
141.05455	0.6
141.07011	0.5
145.06473	0.4
145.10159	0.5
147.04395	0.9
147.11703	1.4
149.05988	1.3
149.09586	0.6
151.03883	3.3
153.05473	0.7
153.06950	0.6
157.06479	0.9
157.10124	1.5
161.05977	3.1
163.03903	28.8
164.04279	1.1
165.05496	0.8
165.06889	0.5
167.08510	0.5
168.39027	0.4
171.08028	0.7
173.05978	5.8
175.03844	0.5
175.07550	1.0
175.11197	1.4
177.05472	2.3
179.03401	0.9
181.04950	2.5
181.06535	1.0
185.05939	0.6
187.03908	0.8
187.07545	4.0
189.05487	1.7
191.06972	0.4
193.12241	5.0
195.06465	0.4
195.08086	1.0
197.06036	0.9
199.07547	3.0
201.05481	1.5
201.09146	1.4
203.03165	0.4
203.07010	0.6
205.04956	4.8
211.07504	2.0
211.13303	7.8
213.05502	1.1
213.09081	1.6
215.07085	0.6
217.04962	0.6
220.46259	0.3
223.07643	0.7
225.09113	0.9
227.07051	0.8
229.04999	1.1
235.05930	0.4
237.09119	0.9
238.06360	0.4
240.08072	0.4
247.05841	0.8
251.07101	0.6
265.07007	0.6
267.13635	0.3
267.16013	2.8
269.15320	0.5
279.13803	0.4
283.08347	2.5
283.15451	0.6
285.16998	10.0
286.17188	0.4
287.16351	0.6
295.05975	1.4
297.07541	0.4
297.14938	0.6
301.09143	5.5
304.52271	0.4
308.06845	1.3
309.07538	0.8
309.14987	0.6
313.07050	0.8
315.15894	3.4
319.05505	0.5
321.07431	0.6
321.14661	0.5
325.14539	0.7
327.15900	2.8
331.15439	0.5
335.09219	0.5
339.16061	2.1
341.17349	0.5
359.18332	0.8
371.18542	0.5
389.19653	1.3
399.17795	0.6
401.19308	1.0
413.19595	0.6
421.16602	3.2
447.18109	4.6
465.19000	2.4
477.19229	0.5
495.19635	0.7
521.21417	1.1
531.27820	0.5
539.22601	1.5
557.24280	0.5
563.30212	0.5
569.31219	0.7
581.30902	0.7
593.30951	1.4
599.32104	1.4
605.31128	0.7
611.32159	2.2
612.32025	0.6
623.32031	1.5
627.31702	0.6
629.32648	0.6
641.33301	0.9
687.31128	0.7
705.32666	1.9
713.33136	1.0
723.33118	1.4
731.34247	2.9
732.33990	0.4
749.35260	3.8
767.35681	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	9.4
68.99796	1.9
69.03712	6.8
69.07066	2.0
71.04987	1.9
79.05493	10.1
81.03417	17.9
81.07059	9.5
83.04966	5.6
83.08611	5.8
85.02907	6.0
91.05479	13.6
92.05844	1.3
93.03408	1.2
93.07052	8.6
95.04969	9.8
95.08632	3.8
97.02883	2.3
97.06528	1.9
97.10176	1.1
105.07026	8.8
107.04961	3.0
107.08621	3.3
109.06525	0.9
109.10152	1.7
111.04436	6.5
111.08075	3.6
117.07022	1.3
119.05004	0.8
119.08598	4.8
121.02867	1.4
121.06494	2.0
121.10115	3.9
123.04417	7.6
127.03937	0.9
128.06203	1.1
129.07014	5.3
131.04887	0.9
131.08563	5.1
133.06474	1.8
133.10147	4.0
135.04419	4.1
137.06006	1.3
137.09578	0.9
139.03899	100.0
140.04233	2.2
142.07759	0.9
145.06516	1.7
145.10123	2.0
147.04404	1.8
147.08096	1.1
147.11691	3.9
149.05963	4.0
149.09613	3.3
151.03915	6.4
157.06552	1.1
157.10141	3.2
161.05997	2.5
163.03900	27.9
163.11165	2.0
164.04337	1.2
165.05507	1.0
165.12753	1.4
173.05946	2.1
173.09451	0.8
175.03911	1.3
175.07523	1.5
175.11211	4.3
177.05487	5.5
181.04979	5.1
187.03902	1.7
187.07590	1.3
189.05435	2.1
191.07085	1.2
191.10611	0.9
193.12262	13.9
194.12515	1.1
197.06076	1.1
201.05482	2.2
203.07048	0.7
205.04955	9.2
206.05208	0.8
211.13290	24.8
213.05511	1.2
213.08919	0.7
217.05002	1.0
227.07077	0.8
227.12872	1.1
229.04936	1.8
235.06000	3.2
241.04959	14.2
242.05548	0.9
243.06438	1.4
243.13754	1.9
247.06003	1.7
253.04790	0.8
255.06503	0.7
265.07089	1.2
267.06461	1.3
267.15900	7.4
269.17606	0.8
270.05151	2.9
271.06000	6.8
273.07599	1.1
273.14862	1.0
279.06503	1.0
283.08295	6.2
283.15396	1.9
285.16977	22.6
286.17307	1.5
295.06137	1.2
297.07593	1.3
301.09164	16.8
302.09509	1.1
308.06854	0.9
309.07486	2.4
333.16977	3.0
395.71585	0.7
421.16504	3.1
435.18219	1.2
447.18018	3.1
463.17410	8.0
464.18045	0.7
465.19077	39.3
466.19376	1.8
477.19116	1.1
481.18546	3.1
489.19183	1.7
503.20255	2.1
521.21686	6.9
531.20221	1.3
537.21191	1.3
539.22797	18.2
540.22784	1.6
555.21954	2.4
557.23547	0.9
581.30737	1.4
597.30219	0.9
599.32092	1.0
611.31464	1.3
617.33026	1.0
623.31781	1.1
639.29578	1.7
649.91754	0.9
657.30322	2.6
675.30292	1.0
713.32629	2.6
731.34161	17.4
732.34094	1.5
749.35254	31.8
750.35126	4.7
755.34534	1.0
767.35724	2.1
773.35065	1.4
815.35968	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.62
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	53.2
69.03430	8.4
69.07067	22.6
70.07411	0.9
71.01331	1.6
71.04990	4.0
71.08631	26.5
73.02910	1.8
75.39601	1.0
79.05490	38.5
81.03421	10.8
81.07056	68.1
83.04986	8.7
83.08615	17.7
85.02892	12.2
85.06548	3.0
85.10181	14.6
86.10521	1.4
91.03955	4.4
91.04905	1.1
91.05481	29.0
93.07041	38.7
94.07384	1.6
95.04973	7.4
95.08603	40.0
96.08952	1.0
97.02888	7.4
97.06530	10.9
97.10181	8.8
99.04443	1.7
99.08103	2.5
103.07558	1.5
105.04558	1.6
105.07029	21.0
105.07745	1.1
107.04956	7.0
107.08591	27.1
107.09282	1.8
109.02873	2.1
109.06518	4.2
109.10147	15.4
111.04455	1.2
111.08062	5.5
111.11781	1.0
111.76859	1.2
113.09669	1.0
115.05431	1.5
117.07012	12.5
119.08583	17.4
120.21916	0.9
121.06502	3.5
121.10139	12.7
123.08077	1.9
123.11703	6.5
125.09644	2.8
127.03945	4.5
128.06218	1.1
129.05504	2.7
129.06970	3.2
131.08554	14.0
133.10123	16.0
135.08064	4.3
135.11687	13.1
137.09615	1.4
137.13211	1.7
139.11201	1.1
141.06944	1.8
143.08546	4.0
145.04941	1.6
145.10149	9.1
147.08080	1.4
147.11700	6.4
149.09605	7.5
149.13281	9.4
151.11179	1.5
151.14833	0.9
157.10135	4.2
159.11682	11.6
161.13248	2.0
163.05991	1.1
163.11206	5.8
169.10150	2.0
171.11629	2.2
173.04489	2.7
173.13292	3.1
177.12790	3.0
179.14273	1.4
183.11736	1.3
195.13831	4.3
197.13257	1.5
213.14755	1.5
217.15994	1.3
227.12779	3.1
229.19580	1.1
239.17947	2.2
239.23711	3.5
247.20734	2.2
251.16273	1.3
253.00740	1.0
255.15889	15.6
257.19022	6.9
257.24670	1.8
267.16000	1.9
269.17471	46.1
270.17877	2.8
275.20041	23.5
276.20334	1.9
291.19427	1.2
293.20984	2.5
309.20663	1.4
313.27347	92.1
314.27655	6.0
319.47751	1.1
331.22617	1.8
339.17780	1.3
349.23724	22.5
350.23947	2.4
367.24869	5.8
381.39566	1.0
413.21582	3.4
467.37003	2.4
493.38809	21.1
494.39197	2.3
507.40445	100.0
508.40869	10.9
547.43939	4.6
557.01068	1.0
587.46667	27.8
588.46759	5.4
605.47729	11.8
606.47839	1.3
651.44482	2.7
663.02289	1.2
749.51611	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	10.7
68.05845	2.4
69.03426	7.1
69.07063	3.0
69.20774	18.4
69.21179	4.0
71.46219	3.2
79.05492	10.5
81.03419	8.2
81.07062	10.3
83.04938	3.2
83.08630	3.5
87.68401	2.2
91.05488	11.4
93.07040	6.5
95.04978	3.9
95.08620	5.0
97.10162	4.2
105.07026	14.0
107.04970	4.3
107.08574	5.7
119.08575	7.0
123.04460	3.0
128.06226	4.5
129.06999	6.6
131.08556	14.9
133.06476	5.6
133.10147	8.0
135.08054	3.8
135.11719	2.7
139.03873	3.5
142.07761	3.7
143.08560	9.0
145.10081	6.3
155.08585	5.0
156.09343	4.0
157.06642	2.4
157.10173	6.3
159.08063	8.6
161.09621	9.3
163.11220	4.0
167.08582	6.5
169.10130	8.4
171.11719	6.7
173.09627	5.6
175.11296	4.2
179.08611	5.5
181.10037	4.0
183.08052	3.3
185.09634	3.5
187.07602	6.3
193.10155	3.0
193.12120	2.9
194.11003	3.2
195.11644	4.4
197.09698	4.9
199.11211	3.6
203.10710	3.1
207.11708	3.0
208.09024	2.9
208.12430	3.8
209.13277	10.7
221.13255	3.7
223.11113	6.5
225.12790	3.1
237.12778	7.1
242.10661	2.5
255.13872	2.8
267.16064	3.8
283.15170	3.2
285.16837	3.7
332.34692	2.7
397.21408	3.3
411.23141	7.5
415.22617	13.7
429.18698	5.4
429.24301	84.0
430.24539	9.9
439.22656	20.5
457.23792	100.0
458.23883	7.4
475.18546	4.5
475.24826	63.5
476.25217	5.9
509.27856	3.1
541.34961	5.8
967.39929	16.5
968.38617	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5934
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	31.6
69.07069	10.0
71.30345	2.1
73.02904	1.8
75.80045	1.5
79.05491	26.9
81.03410	4.4
81.07059	41.1
81.94776	1.8
83.04980	3.2
83.08617	5.4
91.05482	27.7
93.06465	2.7
93.07039	28.2
95.01323	3.5
95.04956	6.0
95.08604	27.0
97.06534	8.2
97.10170	2.7
105.07027	28.9
107.04961	7.3
107.08594	15.2
109.06501	5.0
109.10141	8.9
117.07001	7.6
119.08569	15.6
121.06520	2.2
121.10159	10.6
123.08035	1.8
123.11742	2.7
131.08557	14.1
133.10138	17.9
135.08029	2.6
135.11687	7.2
137.09631	1.9
145.10127	6.1
147.11694	5.7
149.13275	3.4
157.10129	1.8
159.11684	4.7
161.13287	3.5
173.63438	1.8
179.14290	2.5
219.17421	31.0
257.19028	2.3
275.19992	21.1
333.20392	1.8
335.25778	56.6
336.26074	6.0
349.23691	17.9
399.08209	1.7
431.97900	1.8
609.45074	100.0
610.45526	14.9
650.64563	1.7
969.57269	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5754
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.5
69.03429	2.9
69.07093	0.9
71.05035	0.5
71.08639	1.1
73.02919	3.1
79.05489	2.0
79.98917	0.3
81.03432	1.3
81.07057	2.8
83.08641	0.7
85.02895	3.6
85.10207	0.6
91.03953	2.3
91.05463	2.0
93.07048	1.8
95.04975	0.6
95.08598	2.6
97.02893	4.8
97.03432	0.4
97.10175	0.3
98.22585	1.0
98.23312	1.6
99.04488	0.7
101.02399	1.2
101.96785	0.3
105.07066	1.3
107.08635	1.2
109.02904	0.5
109.10153	0.6
115.03943	0.4
117.07069	0.4
119.08610	0.9
120.61906	0.3
121.10184	0.7
121.76900	0.3
123.11742	0.5
127.03971	1.5
131.08556	0.9
133.10204	0.7
135.11719	0.4
145.04985	0.4
145.10184	0.6
147.11671	0.5
159.11732	0.4
185.04272	0.8
203.05299	0.5
212.03658	0.4
232.51421	0.3
243.08440	2.1
259.52591	0.3
277.14117	0.3
313.27377	0.5
333.20221	1.6
335.25851	0.6
347.09567	1.4
365.10712	1.0
389.23068	0.4
405.13654	5.0
405.18192	0.4
427.89178	0.3
439.19672	0.8
453.21286	0.9
497.30908	3.2
551.28223	3.8
601.24243	0.4
610.46014	0.5
611.46637	0.9
615.26074	0.6
659.36200	4.0
713.33551	5.0
807.52148	1.3
969.57465	100.0
970.57684	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6098
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07069	27.3
70.81525	7.4
73.02918	9.3
79.05060	6.9
79.05495	86.5
81.03411	4.1
81.07061	94.3
83.04989	5.3
83.08610	10.7
85.02913	21.9
85.06559	5.0
91.03958	15.6
91.05483	83.6
92.05803	3.5
93.07043	100.0
95.04961	8.3
95.08035	6.8
95.08606	64.7
97.02889	8.1
97.06535	6.1
97.10172	5.0
103.05475	3.8
104.09032	3.5
105.07027	90.3
105.68044	3.4
107.04961	3.7
107.08582	48.1
109.06485	3.8
109.10152	32.6
111.08118	7.4
115.27729	3.1
117.07024	28.2
119.08578	61.3
121.06525	4.2
121.10126	41.8
123.11720	5.8
127.03934	5.9
128.06210	5.2
129.06987	14.6
131.08562	46.2
133.10129	48.8
135.11691	31.7
143.08534	16.0
145.05066	5.7
145.10094	30.4
147.11688	44.4
149.09555	3.9
149.13258	15.5
155.08627	4.6
157.10124	12.6
159.11665	35.1
161.13264	32.3
163.06020	5.2
163.11165	3.8
163.14832	7.1
168.94261	3.4
169.10175	4.8
171.11688	12.4
173.13292	14.7
175.14847	11.9
183.11684	6.9
185.13257	11.3
187.14711	4.7
197.13368	4.7
199.14856	8.3
200.38368	3.1
215.17990	4.4
231.21045	8.7
239.17873	3.5
241.19560	24.8
243.21036	6.1
257.18948	8.1
258.76807	3.9
259.20581	71.3
260.21017	3.4
261.22183	13.4
315.23111	8.3
333.24271	56.1
335.25790	77.0
336.26114	4.9
337.27579	4.7
367.22598	3.7
474.44070	3.7
529.38519	3.8
592.65356	3.3
593.45447	12.7
594.35687	3.6
604.41302	4.2
611.46667	74.5
612.46558	8.9
970.57513	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.529
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	5.2
79.05508	8.3
81.07060	8.9
91.05478	9.0
93.07033	8.1
95.04945	3.2
95.08632	3.1
105.07039	11.6
107.08585	4.5
109.06508	4.2
109.10148	4.2
111.04417	2.9
111.08002	2.8
117.07027	4.5
119.08595	6.5
121.06526	3.9
128.06223	3.4
129.07002	6.3
131.08575	5.9
133.06485	3.8
133.10185	8.4
141.07057	3.5
142.07784	8.2
143.08546	9.5
145.10109	7.6
147.08095	6.3
149.09618	3.3
155.08563	10.7
156.09354	6.9
157.06499	3.7
157.10144	20.8
158.52341	3.0
159.08066	4.3
161.09612	9.6
165.07069	5.1
169.10144	18.5
170.07346	3.2
171.08035	7.1
171.11699	11.8
173.09622	4.0
173.13258	11.8
175.11221	14.0
179.08522	6.2
180.09422	3.4
181.10104	7.2
183.08072	6.0
183.11679	6.4
185.09627	14.2
187.11200	4.7
189.09105	3.9
193.10167	5.6
194.10928	3.2
195.11690	10.4
197.09631	18.0
197.13329	4.0
199.11205	7.8
203.10698	33.2
207.11707	7.8
209.13268	8.3
211.11209	5.3
211.14857	15.3
212.15392	3.5
217.12241	6.8
218.10794	2.8
219.11562	3.5
221.11526	19.3
221.13518	4.0
223.11247	6.7
223.14958	3.7
225.12794	4.9
234.13751	3.5
235.11044	3.0
235.14825	5.2
237.12732	4.5
239.14331	35.6
257.15393	11.7
259.14795	3.4
287.14441	3.3
289.58038	3.0
358.79889	3.1
399.23001	3.5
413.24771	33.6
414.25031	6.6
421.08835	4.0
423.23380	16.2
431.25848	55.0
432.26071	3.6
433.27509	4.0
441.24359	54.5
442.24469	7.9
445.70999	3.2
459.25323	100.0
460.25443	12.9
477.26340	47.9
971.42627	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5296
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	2.9
69.07057	2.1
75.75301	1.4
79.05492	6.8
81.03413	2.2
81.07065	4.3
85.16985	1.5
91.05470	10.1
93.07045	5.3
95.05001	3.0
95.08616	3.6
98.22527	2.1
105.07026	12.7
107.08617	9.4
107.09261	1.6
109.06535	2.1
109.10177	3.1
111.04483	2.0
115.05440	4.0
117.07026	14.8
119.08575	7.9
121.06489	1.8
121.10145	2.7
128.06224	5.8
129.06999	9.0
131.08571	13.0
133.06511	5.3
133.10126	7.1
135.08076	5.7
141.06984	5.7
142.07736	7.9
143.08572	19.2
145.06479	2.4
145.10097	9.3
147.08052	4.2
147.11624	2.4
149.09584	1.8
151.12878	1.6
154.07770	2.0
155.08546	10.9
156.09343	11.4
157.06494	2.5
157.10123	17.9
159.08061	6.8
159.11722	3.9
161.05946	5.8
161.09589	11.0
165.06972	2.4
166.07796	2.0
167.08623	2.2
169.10129	12.6
171.08084	7.0
171.11693	22.2
173.09631	4.6
173.13164	8.4
175.11162	4.8
179.08510	2.6
180.09206	2.8
181.10132	6.2
182.07138	1.6
183.11702	5.0
184.08858	3.9
185.09621	6.3
185.13304	1.9
187.07567	3.3
187.11179	3.0
189.09142	3.6
189.12848	1.8
192.09341	4.6
193.10092	2.6
195.08023	2.1
195.11685	8.3
196.12556	2.2
197.09654	4.1
197.13298	5.5
199.11186	13.4
201.12697	4.0
203.10715	2.2
206.11003	3.6
207.11670	9.9
209.09642	2.3
209.13264	7.0
210.10460	3.1
211.11186	3.5
211.14815	9.1
212.15538	2.5
213.12796	3.2
215.08411	1.7
217.10191	1.8
217.12195	21.8
218.10854	3.6
219.11703	2.7
221.13240	7.5
223.11194	7.6
225.12727	8.0
229.54765	3.5
231.11626	2.5
232.12483	1.7
233.09702	2.3
235.14767	3.1
237.12741	6.2
238.13033	1.8
239.14357	9.0
240.15025	1.8
241.12277	3.3
245.13272	3.4
247.11118	2.5
251.14499	2.3
256.12430	2.5
259.14838	2.0
263.14432	2.4
273.16122	2.0
275.14267	3.2
275.17767	2.6
285.16357	2.1
287.14258	2.5
299.17636	2.3
301.15961	3.0
357.18228	2.9
375.23251	3.7
381.22458	2.1
383.20160	3.0
385.25266	1.7
389.24725	3.7
395.23587	4.1
399.23129	6.0
405.21851	2.2
413.24704	50.4
414.25024	4.6
415.26431	2.1
417.24521	8.3
423.23187	17.2
431.25803	84.9
432.26071	7.6
433.26855	2.0
441.24246	74.7
442.24570	5.7
459.25278	100.0
460.25449	7.4
477.26361	38.8
478.26764	3.3
751.65375	1.8
971.42157	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03348	0.5
69.06967	0.8
69.31496	0.4
70.25816	0.4
71.29691	0.6
75.29816	0.4
79.05357	2.5
81.06911	3.4
83.04836	8.0
83.05378	1.4
87.61224	0.4
91.05327	4.8
91.05933	0.6
93.06886	7.5
93.07533	0.9
94.74178	0.4
95.04810	1.7
95.08451	6.5
95.09106	0.9
97.02774	0.6
97.40177	0.4
103.05373	0.6
104.31385	0.4
105.06868	5.1
106.83387	0.4
107.04893	0.4
107.08434	3.7
109.06492	2.5
109.10023	1.0
109.10683	0.5
111.04280	4.5
111.07912	3.6
115.05332	0.9
117.06856	2.3
119.08406	8.4
119.09342	0.6
121.06344	1.8
121.09956	1.4
123.07939	1.1
128.06200	2.3
129.06824	3.7
130.07713	0.6
131.04791	0.6
131.08565	4.4
133.06393	0.7
133.09953	6.2
135.08032	3.2
137.05977	4.0
139.07358	2.3
141.06984	2.9
142.07608	1.8
143.08563	5.0
144.09187	1.0
145.06306	1.6
145.10118	4.3
146.07062	0.5
147.07869	2.0
147.11484	2.5
149.09468	0.5
152.06085	0.5
153.06824	1.7
154.07750	2.6
155.08543	8.6
156.09137	2.3
157.06258	1.3
157.10136	4.8
157.64865	0.4
159.08035	2.8
159.11702	3.8
161.09480	1.5
165.07016	2.1
166.07622	0.9
166.56107	0.5
167.08562	2.8
168.09206	1.1
169.10120	9.6
170.10664	1.3
171.07860	1.5
171.11684	6.3
172.08704	1.0
173.09583	2.5
173.13173	0.8
175.11057	1.1
178.07626	1.4
179.08557	4.8
180.09125	1.6
181.10097	3.2
182.07097	1.3
182.10706	1.6
183.07878	0.7
183.11693	3.9
185.09425	1.9
185.13008	1.7
186.10367	0.7
187.11192	3.8
189.08948	1.0
191.08446	0.7
192.09261	2.4
193.10135	3.5
194.10675	1.9
195.08072	2.6
195.11650	3.7
196.08636	0.7
196.12149	0.6
197.09610	10.2
197.13226	2.9
198.10066	1.0
198.13820	0.5
198.65677	0.5
199.11035	0.5
199.14696	0.7
201.12537	0.6
202.07695	0.9
203.08316	1.4
204.09229	1.1
205.10136	2.5
205.11772	0.8
206.10873	2.1
207.11661	5.4
208.12253	1.5
209.09392	1.4
209.13287	5.1
210.10184	0.8
210.13663	0.5
211.10977	1.8
211.14685	0.8
213.12561	1.2
215.08470	1.4
215.10641	11.0
216.09225	1.0
217.10139	3.4
218.10892	2.1
219.11664	4.8
219.13637	0.8
220.12440	2.6
221.09499	1.2
221.13216	4.0
222.10204	0.6
222.13799	0.9
223.11224	2.5
223.14661	1.3
225.08949	0.7
225.12801	2.2
227.14143	0.7
229.10156	2.5
229.12068	0.7
230.10886	2.5
231.11682	4.8
232.12344	2.2
233.09540	0.8
233.13466	3.1
234.10225	0.8
234.13860	1.2
235.11115	2.2
235.14735	2.2
236.11644	0.9
237.12779	2.4
237.16261	0.7
239.08340	0.6
239.14284	0.7
241.09869	0.7
241.12103	0.7
242.10762	1.3
243.11670	4.4
244.08325	0.5
244.12564	3.2
245.09456	1.3
245.13049	6.5
245.15364	1.9
246.10370	1.0
246.13853	1.8
247.11197	2.4
247.14781	3.2
248.11679	0.8
248.15353	0.7
249.12845	2.5
249.16254	1.3
251.14189	0.6
253.12054	1.5
255.11499	1.1
255.13693	1.8
256.12274	1.3
257.09683	0.9
257.13101	4.3
258.10306	0.9
258.13852	3.8
259.11197	2.3
259.14771	7.1
260.11731	1.3
260.15338	2.0
261.12827	3.3
261.16196	2.5
262.13245	0.9
263.10556	0.7
263.14160	1.4
265.12061	0.7
267.13678	1.4
269.13110	2.4
270.10400	0.6
270.13831	1.8
271.11102	0.8
271.14606	3.3
272.11877	1.1
272.15411	1.9
273.12613	1.6
273.16196	4.3
274.13544	0.6
274.16934	2.3
275.10898	0.4
275.14117	2.9
275.17743	2.3
276.14905	0.8
276.18411	0.7
277.12180	0.7
277.15591	1.0
277.19278	0.6
279.13635	0.8
281.12924	0.6
282.14001	0.6
283.11493	0.7
283.14691	1.8
284.11829	1.2
284.15445	1.9
285.12634	2.3
285.16229	4.0
286.13272	1.6
286.16910	1.4
287.14163	3.7
287.17834	2.6
288.14795	0.6
289.12219	0.9
289.15723	1.5
289.19122	0.8
291.13705	0.8
291.17032	0.6
293.15475	0.7
297.12546	1.4
297.16010	0.9
298.13519	0.6
299.14096	2.1
299.17731	3.1
300.14813	2.0
300.18539	1.5
301.15695	4.7
301.19363	2.3
302.13177	0.5
302.16357	2.2
303.13812	1.2
303.17297	2.4
303.20880	0.9
305.15237	1.9
305.18689	1.0
309.16217	1.1
311.14160	0.8
311.17661	0.9
312.14914	0.7
313.15714	1.7
313.19058	0.9
314.20041	1.1
315.17358	2.3
315.20920	1.7
316.17972	0.8
316.21680	1.1
317.15228	1.2
317.18887	1.2
318.16016	0.9
319.16992	2.3
319.20132	0.8
321.18597	0.5
323.20044	1.1
326.16544	0.7
327.17441	5.4
329.18906	1.8
331.16708	1.0
331.20389	1.1
333.18594	0.8
337.18066	1.1
338.16519	0.7
341.18951	1.4
342.19727	3.0
343.16687	0.8
343.20468	1.0
345.18497	4.1
347.19910	0.8
349.16296	0.5
349.21307	0.6
353.18793	0.8
357.18240	0.7
359.19928	1.7
360.20633	1.2
361.21582	0.8
395.23788	1.2
397.21652	1.4
399.23431	4.0
401.21060	1.5
405.21780	0.7
413.24829	8.4
414.25125	0.7
415.26648	9.9
416.26770	0.7
423.23199	3.2
426.21838	0.6
431.25861	4.0
441.24228	60.7
442.24576	6.1
459.25293	100.0
460.25620	10.6
477.26392	10.2
478.26901	1.0
954.56165	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5296
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	2.9
69.07057	2.1
75.75301	1.4
79.05492	6.8
81.03413	2.2
81.07065	4.3
85.16985	1.5
91.05470	10.1
93.07045	5.3
95.05001	3.0
95.08616	3.6
98.22527	2.1
105.07026	12.7
107.08617	9.4
107.09261	1.6
109.06535	2.1
109.10177	3.1
111.04483	2.0
115.05440	4.0
117.07026	14.8
119.08575	7.9
121.06489	1.8
121.10145	2.7
128.06224	5.8
129.06999	9.0
131.08571	13.0
133.06511	5.3
133.10126	7.1
135.08076	5.7
141.06984	5.7
142.07736	7.9
143.08572	19.2
145.06479	2.4
145.10097	9.3
147.08052	4.2
147.11624	2.4
149.09584	1.8
151.12878	1.6
154.07770	2.0
155.08546	10.9
156.09343	11.4
157.06494	2.5
157.10123	17.9
159.08061	6.8
159.11722	3.9
161.05946	5.8
161.09589	11.0
165.06972	2.4
166.07796	2.0
167.08623	2.2
169.10129	12.6
171.08084	7.0
171.11693	22.2
173.09631	4.6
173.13164	8.4
175.11162	4.8
179.08510	2.6
180.09206	2.8
181.10132	6.2
182.07138	1.6
183.11702	5.0
184.08858	3.9
185.09621	6.3
185.13304	1.9
187.07567	3.3
187.11179	3.0
189.09142	3.6
189.12848	1.8
192.09341	4.6
193.10092	2.6
195.08023	2.1
195.11685	8.3
196.12556	2.2
197.09654	4.1
197.13298	5.5
199.11186	13.4
201.12697	4.0
203.10715	2.2
206.11003	3.6
207.11670	9.9
209.09642	2.3
209.13264	7.0
210.10460	3.1
211.11186	3.5
211.14815	9.1
212.15538	2.5
213.12796	3.2
215.08411	1.7
217.10191	1.8
217.12195	21.8
218.10854	3.6
219.11703	2.7
221.13240	7.5
223.11194	7.6
225.12727	8.0
229.54765	3.5
231.11626	2.5
232.12483	1.7
233.09702	2.3
235.14767	3.1
237.12741	6.2
238.13033	1.8
239.14357	9.0
240.15025	1.8
241.12277	3.3
245.13272	3.4
247.11118	2.5
251.14499	2.3
256.12430	2.5
259.14838	2.0
263.14432	2.4
273.16122	2.0
275.14267	3.2
275.17767	2.6
285.16357	2.1
287.14258	2.5
299.17636	2.3
301.15961	3.0
357.18228	2.9
375.23251	3.7
381.22458	2.1
383.20160	3.0
385.25266	1.7
389.24725	3.7
395.23587	4.1
399.23129	6.0
405.21851	2.2
413.24704	50.4
414.25024	4.6
415.26431	2.1
417.24521	8.3
423.23187	17.2
431.25803	84.9
432.26071	7.6
433.26855	2.0
441.24246	74.7
442.24570	5.7
459.25278	100.0
460.25449	7.4
477.26361	38.8
478.26764	3.3
751.65375	1.8
971.42157	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10825	6.7
69.11250	4.1
75.61694	1.0
79.05498	1.6
81.07068	3.5
83.04982	8.7
85.06556	2.7
91.05492	4.9
93.07052	8.3
95.08599	8.9
98.23329	3.1
105.07050	5.4
107.08606	4.8
111.04463	3.9
111.08093	4.5
113.38009	1.2
115.05450	1.0
117.07056	3.3
119.08549	7.4
121.06510	1.3
123.08085	1.2
128.06238	2.5
129.06976	6.0
131.08600	3.5
133.10097	6.9
135.08047	1.3
139.07555	2.9
141.07002	1.7
142.07787	4.5
143.08554	6.0
145.10156	3.7
147.11699	2.8
155.08582	5.5
156.09421	4.1
157.10135	17.4
159.08060	2.3
159.11661	2.4
161.09624	1.9
165.07001	1.5
167.08551	3.5
169.10120	5.6
170.10889	1.5
171.11719	8.4
173.09727	2.1
173.13235	2.0
175.11185	1.8
179.08562	3.6
181.10175	3.4
183.11737	3.4
184.12334	1.4
185.09708	1.5
187.11203	1.5
192.09335	1.9
193.10204	2.3
194.10927	2.7
195.11722	5.0
196.12442	1.9
197.13319	3.2
199.11192	6.7
205.10210	2.2
206.10904	2.1
207.11731	5.2
208.12372	1.3
209.13312	8.8
210.13774	1.5
211.14867	3.5
217.10286	2.0
217.12196	10.2
218.10831	1.6
219.11719	6.2
220.12575	2.1
221.13249	5.4
223.14850	3.7
225.12717	1.8
231.11694	4.3
231.13737	1.5
232.12480	2.9
233.13225	2.9
234.14156	1.2
235.14839	3.9
237.12639	1.9
243.11682	1.6
245.13216	4.9
245.15515	3.2
246.14053	3.8
246.60886	1.1
247.11331	1.2
247.14873	7.5
249.16295	1.7
250.21111	1.3
251.14499	1.4
255.13889	1.3
257.13098	1.7
259.14893	4.6
260.15588	1.9
261.16354	6.8
262.17078	1.6
263.14362	1.7
263.18030	2.0
267.13788	1.8
269.15280	2.0
272.15576	1.3
273.16531	2.1
274.16800	1.5
275.17972	3.0
287.17926	6.5
288.18628	1.5
289.15939	1.6
289.19485	2.9
295.16937	2.1
299.18054	1.6
301.16357	1.3
301.19604	3.3
302.20117	1.8
303.20969	2.0
307.16782	1.7
321.18472	2.5
323.20367	1.6
329.19205	1.7
331.20419	1.8
347.20001	2.9
362.22119	2.0
401.24771	82.1
402.25159	8.2
405.20697	3.4
415.26291	4.1
417.27768	8.3
425.24835	3.1
443.25769	28.9
444.26065	2.3
461.26859	100.0
462.27173	8.7
479.27838	16.4
484.23767	1.4
623.79517	1.4
920.00238	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5608
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03397	0.9
69.07022	1.8
71.04967	0.4
71.30875	0.7
79.05492	3.9
81.07061	7.2
82.30137	0.5
83.04980	3.9
83.37946	0.4
91.04982	0.4
91.05478	5.9
93.07050	8.0
95.04406	0.4
95.04935	2.6
95.08609	12.7
97.06492	0.9
99.04406	0.8
103.33491	0.4
105.07030	8.6
107.04929	0.6
107.08595	5.7
109.05904	0.4
109.06510	4.2
109.10154	2.9
111.04389	1.6
111.08060	2.5
115.05392	1.2
117.07011	3.0
119.04905	0.4
119.08580	6.7
121.06447	1.8
121.10167	2.7
123.08054	3.5
123.11617	0.6
128.06224	2.3
129.07004	2.9
130.07780	0.6
131.08568	5.6
132.55467	0.4
133.06422	0.7
133.10129	4.8
134.27185	0.4
135.08041	3.8
135.11618	1.7
137.05974	4.6
139.07460	1.3
141.06993	2.4
141.09062	1.0
142.07802	2.9
143.07660	0.5
143.08568	6.5
144.09265	1.0
145.06430	1.6
145.09201	0.4
145.10123	6.2
147.08049	2.9
147.11618	1.8
149.09511	0.7
151.07411	0.5
152.06219	0.6
153.06958	1.7
154.07739	2.0
155.07323	0.8
155.08542	10.1
156.09343	2.7
157.06462	0.6
157.10123	6.7
158.07239	0.7
158.10817	0.8
159.08109	2.2
159.11661	4.4
161.09607	2.7
161.13200	1.5
163.11078	0.5
165.06956	3.1
166.07744	1.4
167.08559	4.5
168.09232	1.7
169.06454	0.5
169.10133	8.8
170.10733	1.2
171.08012	1.6
171.11668	6.7
173.09569	1.5
173.13216	0.8
175.11211	1.1
178.07645	2.2
179.08539	5.8
180.09357	2.2
181.06508	1.0
181.10118	5.7
182.07271	0.8
182.10789	1.3
183.07954	1.3
183.11693	4.6
185.09576	1.9
185.13260	2.3
187.11093	2.0
189.09094	0.5
189.12697	2.0
191.08517	2.0
192.09343	3.5
193.10117	7.4
194.07259	0.7
194.10863	3.3
195.08080	2.3
195.11699	6.9
196.12305	1.3
197.09624	5.8
197.13297	2.4
199.11148	1.6
199.14902	0.8
201.09074	0.5
201.12573	1.1
203.08528	1.9
203.10243	0.5
204.09270	2.5
205.10139	5.2
206.10902	6.0
207.08032	0.9
207.09810	0.7
207.11688	13.7
208.08887	0.6
208.12392	2.5
209.09619	2.4
209.13200	5.1
210.10216	0.6
210.13838	0.7
211.11310	2.4
211.14740	1.9
213.09018	1.0
213.12677	0.9
215.08478	1.4
215.10562	1.6
216.09196	0.6
217.10136	3.5
217.12083	0.7
218.10876	3.3
219.08151	1.0
219.11670	9.2
220.08745	1.1
220.12393	3.4
221.09546	2.0
221.13234	10.6
222.10342	1.0
222.13863	2.0
223.07549	0.6
223.11183	3.1
223.14787	3.7
225.09149	1.1
225.12691	1.8
225.16310	0.5
227.14246	0.9
229.10068	1.6
229.12109	0.5
230.10802	1.7
230.36661	0.4
231.11673	5.1
232.08780	1.6
232.12410	3.0
233.09631	2.7
233.13223	8.0
234.10300	1.7
234.13965	1.5
235.11140	3.0
235.14783	5.2
236.15494	1.1
237.09099	0.6
237.12755	5.4
237.16422	2.1
239.10674	0.7
239.14290	1.5
241.10034	0.5
241.12283	0.6
243.11678	1.5
244.12453	2.0
245.09468	1.1
245.13310	4.1
246.10425	1.7
246.14020	2.8
247.11180	4.9
247.14775	6.3
248.11859	1.2
248.15527	1.4
249.12752	6.1
249.16345	2.1
250.13315	0.7
251.10526	0.6
251.14267	1.9
252.11493	0.8
253.12230	1.6
253.15779	0.6
255.13881	2.2
256.12247	0.8
257.13226	1.5
258.13943	1.2
259.11325	2.1
259.14734	3.8
260.11938	1.1
260.15613	2.6
261.12695	5.3
261.16336	8.4
262.13519	1.0
262.17001	1.6
263.14255	4.5
263.17789	1.8
265.12292	2.7
265.15903	1.7
267.13846	6.4
267.16769	0.7
270.14001	0.8
271.14783	1.9
272.15494	1.0
273.13101	2.2
273.16196	2.7
274.13474	1.7
274.17078	1.3
275.14285	4.3
275.17883	6.8
276.18604	1.7
277.12723	0.7
277.15817	3.5
277.19467	4.1
279.13828	1.7
279.17273	1.2
280.14542	0.4
281.15356	1.2
285.16360	2.3
286.13507	0.4
286.17175	1.0
287.14267	2.9
287.17865	1.2
288.15024	1.4
289.12704	0.5
289.15741	2.5
289.19064	0.4
291.13733	1.0
291.17270	0.8
293.15359	1.6
293.18573	0.8
295.17093	0.9
299.14307	0.8
301.15869	2.0
301.19467	1.5
302.16519	1.0
303.17453	10.8
303.20721	0.9
304.18192	2.1
305.15216	1.1
305.18964	1.9
307.16956	3.0
315.17343	1.3
315.20938	0.7
317.19016	0.6
319.16928	1.0
319.20483	0.6
320.17603	1.0
321.18454	7.0
322.19095	1.9
323.14182	0.6
323.20056	1.6
325.21558	1.0
329.19019	1.8
333.18484	0.7
339.19751	1.1
344.21402	1.3
347.19931	1.7
361.21536	0.7
362.22418	1.1
371.23749	0.7
397.25253	1.3
399.23080	2.0
401.24774	20.0
402.25238	1.8
403.22806	2.1
405.20587	0.8
407.23987	0.5
415.26297	14.9
416.26614	0.8
417.28036	22.6
418.28183	1.8
421.23904	1.1
425.24792	4.4
433.27304	1.9
443.25815	75.1
444.26257	6.3
461.26859	100.0
462.27133	8.8
479.27902	6.7
480.28326	0.7
497.38651	0.5
505.21942	0.5
617.87628	0.6
860.37891	0.6
875.01880	0.5
924.38513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5649
Annotation	Unknow
Peak:m/z	Relative Intensity
69.01636	3.2
69.02067	2.2
69.03442	2.1
69.07083	0.5
71.01340	0.5
73.02938	2.4
79.05495	2.6
81.03428	1.1
81.07043	2.2
85.02906	4.2
87.04430	0.5
88.56255	0.4
91.03983	2.0
91.05502	1.5
93.07034	2.4
95.04959	0.5
95.08633	1.4
97.02914	3.8
99.04493	1.0
101.02408	1.7
105.07058	1.4
107.08579	1.1
109.02930	0.8
116.79678	0.4
119.08574	0.8
121.10178	0.5
123.11777	0.6
127.03955	1.5
131.08588	0.6
133.10168	0.6
135.11748	1.0
136.94711	0.6
147.11693	0.8
157.58485	0.4
185.04305	0.8
203.05426	1.0
217.20865	0.5
243.08395	2.4
347.09448	2.5
363.09039	0.8
365.10837	0.6
405.13589	4.4
415.75589	0.5
463.14597	0.9
519.29492	3.0
520.30048	0.8
535.28375	2.5
555.19580	0.5
681.34680	5.8
682.35486	0.6
697.34003	8.5
698.34802	1.0
705.56873	0.6
813.51434	1.4
975.56494	100.0
976.56781	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	978.6083
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07070	2.3
79.05463	2.1
81.06638	0.5
81.07054	6.1
83.04981	2.3
83.08611	1.1
85.06555	2.6
91.05474	4.2
93.06566	0.5
93.07047	5.9
95.04932	1.5
95.08057	0.8
95.08608	12.6
96.08926	0.5
97.06511	0.8
104.73367	0.4
105.07031	5.7
107.08598	5.0
109.06513	2.6
109.10149	2.8
109.73419	0.5
111.04411	1.7
111.08069	2.8
113.06012	0.8
115.05428	1.1
117.07056	2.4
119.07896	0.4
119.08591	5.7
121.06470	1.5
121.10180	3.4
123.08086	3.7
123.11714	0.6
127.07560	0.6
128.06192	1.3
129.07024	2.3
130.07817	0.6
131.08585	4.1
133.06441	0.5
133.10139	4.3
135.08017	1.8
135.11696	1.5
137.09605	1.1
139.07547	1.4
141.06967	2.0
141.09047	1.0
142.07799	2.6
143.08553	5.7
145.10135	5.3
147.08025	1.3
147.11647	2.1
149.09595	1.0
152.84700	0.4
153.06941	1.1
155.08565	7.5
156.09200	0.9
157.06520	1.0
157.08916	0.6
157.10139	9.9
159.08063	1.0
159.11679	4.9
161.09576	3.3
161.13199	1.4
163.11162	1.1
165.07016	2.0
166.07750	0.7
167.08540	3.1
168.09328	1.2
169.10133	7.0
170.10744	0.6
171.08130	0.6
171.11708	4.1
173.09731	0.9
173.13239	1.6
175.11095	1.4
177.08951	0.6
178.07710	0.6
179.08553	3.7
179.10672	1.1
180.09283	1.8
181.10132	7.0
182.10847	1.5
183.11699	5.6
184.12285	0.4
185.09602	1.1
185.13272	2.4
187.11200	1.1
187.14937	0.5
189.12744	1.6
191.08559	1.2
192.09364	2.4
193.10120	6.5
193.11807	0.8
194.10858	2.6
195.08003	0.7
195.11702	8.4
196.12379	1.6
197.09641	1.7
197.13252	7.3
197.72049	0.5
199.11177	1.8
199.14903	0.8
201.12779	0.7
203.10674	0.7
204.09329	0.6
205.10162	2.0
206.10902	2.6
207.11691	9.8
207.13638	1.1
208.12439	2.1
209.09541	1.3
209.13254	10.7
210.13953	1.8
211.11192	0.7
211.14780	2.5
213.09131	1.0
213.12697	1.1
213.16493	0.5
217.12210	1.5
218.10747	0.8
219.11671	3.3
219.13588	0.8
220.12395	1.3
220.99069	0.5
221.09747	0.9
221.13254	11.5
222.13858	0.9
223.11212	0.9
223.14786	8.4
224.15421	0.6
225.12839	2.9
225.16379	2.5
227.10616	1.5
229.45497	0.6
230.10950	0.6
231.11649	1.0
232.12262	0.6
233.13289	3.3
234.13885	1.4
235.11140	1.4
235.14769	6.3
236.15439	0.9
237.12672	1.6
237.16437	2.8
239.10558	0.6
239.14316	1.5
239.18028	0.8
241.12256	1.0
243.13873	0.8
245.13223	1.0
246.13904	0.6
247.11279	0.7
247.14799	2.6
248.15594	1.5
249.12785	3.3
249.16373	4.9
251.14302	4.3
251.17993	1.0
253.12131	1.2
253.15961	0.6
253.19749	0.5
255.13748	1.1
257.15363	1.5
259.14780	1.0
260.72263	0.5
261.16376	3.2
262.17035	0.8
263.14377	2.4
263.17950	9.4
264.18616	1.1
265.12134	0.7
265.15833	2.5
265.19516	1.5
266.13525	0.5
267.13818	3.7
267.16580	0.5
267.17438	0.4
267.73181	0.5
268.14362	0.6
269.15372	4.2
273.16278	0.9
275.14294	1.6
275.17886	1.4
277.12738	0.5
277.15903	1.9
277.19534	2.5
279.18124	0.7
279.21179	2.8
280.14636	0.7
281.15347	2.0
283.16959	2.6
285.40060	0.5
287.18054	1.1
289.16248	0.8
289.19604	1.5
291.17395	0.9
293.15543	0.6
295.17053	2.4
295.19974	0.5
297.18546	0.9
303.17374	1.2
303.20947	1.0
304.21695	0.8
305.18982	6.0
307.16922	1.0
307.20407	0.8
309.18478	1.9
315.17252	0.8
319.16949	0.5
321.18494	0.9
322.19296	0.8
323.20050	9.5
324.20685	1.3
325.21646	0.9
329.19064	0.7
331.20609	1.6
343.20715	1.0
345.22217	1.4
347.20065	1.3
349.21613	2.0
357.21814	0.7
363.23248	4.0
364.23874	0.9
371.20197	0.6
385.25244	2.1
389.21112	1.6
399.26834	1.0
403.26324	69.2
404.26526	5.7
407.22070	2.3
417.27896	3.0
419.29446	8.9
420.29593	0.7
423.25375	0.9
427.26324	5.9
435.29105	0.7
445.27383	37.1
446.27887	3.4
463.28427	100.0
464.28827	8.2
481.29507	21.9
482.29700	1.9
498.32199	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
67.89080	0.4
86.51717	0.4
89.40794	0.4
96.11414	0.4
96.63157	0.3
100.74902	0.3
116.16238	0.3
117.77953	0.3
123.02231	0.3
127.03771	0.3
139.03893	0.9
160.06371	0.3
213.56233	0.3
223.39183	0.3
229.44728	0.3
281.32272	0.3
314.80615	0.4
421.25018	0.5
423.22968	8.3
424.22952	0.8
437.24463	2.1
449.26407	0.6
465.24115	5.3
466.24484	0.6
509.22986	100.0
510.23282	9.6
510.30426	0.6
932.49731	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.533
Annotation	Unknow
Peak:m/z	Relative Intensity
74.01431	0.1
75.95648	0.1
81.03444	0.1
94.00749	0.1
97.54401	0.1
127.06530	0.1
130.40749	0.1
154.89925	0.1
267.13605	0.2
385.59283	0.1
396.20279	0.1
397.21426	0.2
429.20282	0.1
436.75290	0.1
439.26074	6.6
440.26279	0.5
443.22177	0.2
457.27133	2.5
458.27448	0.2
465.23730	0.1
483.25031	6.3
484.25125	0.5
501.26096	100.0
502.26453	8.1
575.11243	0.1
627.28314	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07036	2.2
71.25301	1.8
71.30623	2.5
74.61012	1.8
79.05454	3.6
81.07066	4.1
83.04982	89.2
91.05475	3.7
93.07025	5.3
95.08599	5.7
105.07025	9.2
107.08596	4.4
116.28069	2.3
119.08574	4.8
128.06219	2.4
129.07074	3.2
131.08583	4.8
133.10114	3.9
135.08047	2.2
142.07787	5.3
143.08589	10.8
145.10115	5.5
152.06386	2.2
155.08549	5.4
156.09329	6.1
157.10095	10.3
159.08113	2.4
159.11687	7.4
161.09579	2.6
167.08591	2.4
169.10110	6.5
171.08046	3.5
171.11740	11.1
173.09731	2.6
180.09314	2.9
183.11641	6.6
185.09590	3.1
185.13240	5.8
195.11687	7.9
197.09590	3.7
197.13271	4.6
201.12787	2.4
207.11671	4.0
209.13228	6.4
211.11150	4.7
211.14824	3.5
213.12683	2.8
219.11600	2.8
221.13219	5.2
223.11250	4.5
223.14803	4.2
225.12746	2.4
227.14256	2.4
235.11368	2.3
237.12662	4.8
239.14398	3.3
247.14861	2.3
262.09555	2.3
267.17484	3.7
273.16357	2.3
303.87390	2.0
325.21735	6.2
351.19745	2.8
369.20538	6.3
379.26270	5.6
407.25812	47.1
408.26050	3.1
413.24765	100.0
414.25131	9.2
415.36206	2.6
425.26910	9.9
441.24203	69.6
442.24622	4.7
459.25290	58.3
460.25476	5.7
780.56073	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.5673
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	1.1
69.07075	8.1
69.77147	2.6
69.77543	1.9
79.05491	4.7
81.07054	9.8
83.04974	6.8
83.08627	3.5
85.06556	1.2
91.05474	9.1
93.07044	13.2
95.04990	3.4
95.08605	21.8
97.06564	2.4
97.66757	0.8
105.07029	16.6
107.08591	12.6
109.06524	2.7
109.10139	6.3
111.04453	2.8
111.08102	3.4
115.05472	1.0
117.07014	3.7
119.08575	17.0
121.06519	2.6
121.10144	9.7
123.08071	6.4
123.11748	2.8
125.09652	1.8
128.06209	1.8
129.07014	5.5
130.07768	0.9
131.08585	10.2
133.10138	13.6
135.08080	3.8
135.11708	3.5
137.09589	1.7
137.13329	0.8
139.03847	1.0
139.07567	2.1
141.06981	1.7
141.09062	1.7
142.07806	3.9
143.08574	14.2
144.09274	1.2
145.10118	17.9
147.08104	2.7
147.11664	8.6
149.09633	1.4
149.13245	2.6
151.07590	0.8
151.11191	1.3
155.08528	5.0
156.09367	3.4
157.10124	18.0
158.10831	1.3
159.08011	2.2
159.11690	15.7
161.09615	7.4
161.13266	7.4
163.11200	3.3
167.08597	1.1
169.10147	5.9
170.10922	2.4
171.08057	1.2
171.11682	13.9
173.09645	4.6
173.13289	9.7
175.11166	4.7
175.14841	2.8
177.12816	1.1
179.08568	1.9
179.10649	1.2
181.10117	2.3
183.11674	5.5
184.12502	1.3
185.09644	2.6
185.13242	11.6
187.11171	4.6
187.14865	8.1
189.12752	4.7
189.16432	1.3
191.14406	1.5
193.10178	2.1
194.10936	1.6
195.11682	4.8
197.09624	1.0
197.13255	6.4
199.11145	2.9
199.14844	6.8
201.12762	1.8
201.16400	1.9
203.14320	2.6
203.18060	2.1
207.11687	1.9
209.13269	5.1
211.11259	1.3
211.14816	6.8
213.12831	3.7
213.16365	3.4
215.14345	5.3
215.18008	1.2
221.13405	2.3
223.14903	2.4
225.12807	1.8
225.16444	4.8
227.14377	2.5
227.17924	10.6
229.15846	4.0
231.13872	1.0
233.13252	1.2
235.14760	2.1
237.12769	1.1
237.16441	1.9
239.14328	1.6
239.17975	3.2
240.18452	1.1
241.15936	2.1
241.19487	6.6
243.17487	1.1
243.21126	3.8
249.16292	1.3
251.14238	1.2
251.18008	3.4
253.15793	1.5
253.19514	2.2
255.17464	3.4
265.19519	1.1
267.17487	2.3
267.21127	1.8
268.17996	1.2
268.22058	1.1
269.19052	9.8
270.19388	1.2
271.20517	0.9
277.19666	1.2
281.18939	1.2
283.16641	1.4
295.17361	1.1
295.20551	4.9
311.20084	2.2
323.20050	1.2
323.23688	1.0
325.21619	1.2
327.23206	1.2
333.22159	1.3
349.25235	1.8
351.23251	6.7
363.26837	3.0
367.22339	1.0
367.26318	20.7
368.26657	1.3
369.24277	31.3
369.28854	2.0
370.24786	2.3
373.25354	2.0
381.27841	9.0
383.29471	3.7
385.27396	2.0
389.24652	2.1
391.26331	14.1
392.26810	1.6
407.25815	2.2
409.27374	100.0
410.27625	8.8
417.24219	2.8
424.23190	1.5
425.23273	1.0
427.28522	1.0
435.25278	3.3
453.26126	1.6
459.25555	2.1
468.24234	1.1
477.26797	4.9
488.29974	2.7
509.23123	5.1
510.23352	11.5
511.23178	27.9
512.23322	22.5
513.23822	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.6311
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	3.5
69.07063	15.3
69.12378	24.7
71.04996	4.1
71.08636	18.7
79.05498	20.7
81.07056	55.8
83.08627	18.7
85.02911	6.6
85.10170	16.9
91.03989	3.6
91.05462	21.6
93.07058	24.3
95.04985	7.4
95.08599	36.8
97.02870	3.8
97.06543	7.4
97.10181	12.9
98.22652	5.5
101.45342	3.2
102.22490	3.4
103.04655	2.9
105.07011	19.2
107.04972	3.2
107.08601	20.4
109.10163	47.5
111.08074	5.1
115.48289	3.6
117.07014	10.8
119.08591	26.2
119.90214	3.0
121.10166	8.1
123.11753	5.4
125.09634	8.0
129.07066	2.9
131.08591	10.4
133.10162	9.6
135.11699	6.7
145.10091	10.4
147.11647	7.8
149.09608	6.7
149.13272	6.4
155.10670	3.7
159.08020	3.8
159.11690	7.9
161.13225	3.2
173.11758	13.8
173.13167	3.3
183.11684	3.5
189.11130	3.1
227.12801	12.6
229.14368	50.5
239.23653	4.6
239.66449	3.4
257.18967	5.3
269.17511	11.8
271.16809	3.4
275.20099	25.7
293.21167	4.8
313.27353	100.0
314.27786	7.1
335.25696	5.9
349.23792	25.7
367.24637	14.9
467.37265	37.5
507.40427	48.6
508.40274	6.1
547.43475	5.5
587.46716	38.9
605.47485	24.7
623.42731	8.6
666.87091	3.8
707.69702	4.2
728.44269	3.6
982.55560	6.9
983.53815	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5638
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09236	1.1
69.09553	0.1
74.30492	0.1
75.20778	0.1
101.21329	0.1
129.77000	0.1
149.94461	0.1
305.18726	0.2
387.06528	0.1
406.69574	0.2
431.21683	0.2
432.22809	0.1
441.27640	6.5
442.27994	0.8
459.28696	2.5
460.29019	0.3
471.73453	0.1
485.26636	6.9
486.27179	0.9
503.27658	100.0
504.27985	11.0
579.64008	0.1
722.49036	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5641
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61642	0.9
71.27024	0.2
91.05495	0.2
98.22591	0.2
133.02643	0.2
150.75995	0.2
175.51317	0.2
393.18045	0.2
401.24509	0.5
441.27600	2.4
457.26053	0.2
459.28738	2.4
460.28555	0.3
485.26611	8.3
486.26904	0.8
503.27646	100.0
504.27975	10.0
513.46985	0.2
892.49921	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5888
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	8.0
69.07070	20.7
69.07418	1.7
71.04980	2.3
73.02930	1.2
77.39746	0.8
79.05491	34.6
81.03410	4.1
81.07055	40.9
83.04996	3.3
83.08619	10.0
85.02898	4.2
85.06544	2.1
91.03978	1.6
91.05482	24.8
91.06007	1.7
93.07044	36.4
95.04971	9.2
95.05498	1.2
95.08607	28.2
97.02880	9.1
97.06544	3.3
97.10171	9.4
98.23107	4.8
103.05532	1.2
105.07034	16.9
107.04946	5.7
107.08597	18.5
109.06530	3.0
109.10155	13.7
111.04425	1.1
111.08118	2.2
115.05461	1.6
117.07027	8.2
119.04997	1.2
119.08591	15.4
121.06534	3.9
121.10137	12.5
123.04466	1.0
123.08073	3.6
123.11719	2.2
125.09633	6.8
128.06242	1.4
129.06992	4.4
130.07823	1.1
131.08557	10.1
133.06487	1.9
133.10127	7.0
135.08089	2.7
135.11693	6.7
137.09671	1.7
143.08607	2.9
145.10143	8.4
147.08064	5.9
147.11676	4.8
149.09622	2.2
149.13260	3.2
157.10133	2.1
159.11630	5.5
161.09579	2.1
161.13284	2.7
162.10431	1.3
163.11195	1.5
163.14856	1.1
165.09163	2.0
169.10211	1.1
171.11667	1.0
173.13321	2.3
175.11215	1.2
175.14854	1.2
177.16400	1.0
187.14859	1.1
189.11240	2.4
205.12212	2.0
211.13298	1.9
220.40425	0.9
223.13264	15.3
224.13676	0.9
227.12711	4.3
243.21017	2.3
245.18942	1.7
249.14873	2.2
261.22162	8.6
273.18475	11.1
291.19540	83.5
292.19925	3.3
317.24692	2.3
335.25790	78.2
336.26062	4.6
347.22015	2.1
365.23233	43.2
366.23450	2.5
505.35098	1.1
527.37250	1.5
545.38477	5.5
607.43286	2.4
625.44592	100.0
626.44904	8.4
643.45264	1.4
984.53943	1.5
985.55908	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5892
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	7.7
69.07069	24.1
71.04987	2.0
71.08621	1.0
71.30411	1.6
73.02920	1.9
77.03905	1.1
79.05494	42.2
81.03410	5.9
81.07059	45.7
83.04977	5.8
83.08609	10.8
85.02900	4.7
85.06560	1.5
91.03960	1.2
91.05482	32.9
93.07047	36.7
95.04970	9.6
95.08610	31.9
97.02889	11.4
97.06527	3.4
97.10181	11.1
99.04488	1.2
99.08051	1.1
105.03439	1.0
105.07032	17.9
107.04960	6.6
107.08598	23.0
109.06535	3.0
109.10151	15.8
109.10818	1.4
111.08086	2.5
117.06994	9.8
119.04944	2.0
119.08579	17.1
121.06505	3.9
121.10151	13.1
123.08061	4.1
123.11685	2.8
125.09628	10.0
129.07011	3.9
131.08565	12.0
133.06496	3.5
133.10123	9.7
134.07256	1.7
135.08064	3.2
135.11716	8.0
137.09648	2.3
143.08569	4.1
145.06554	1.4
145.10130	8.9
147.08066	6.4
147.11685	5.6
149.09627	2.1
149.13251	4.8
157.10124	4.5
159.08070	1.1
159.11702	5.4
161.09621	3.5
161.13229	2.7
163.11188	2.0
163.14807	1.6
171.11694	1.2
173.13246	3.2
175.11171	2.6
175.14905	0.9
177.12721	1.4
185.13210	1.0
186.28130	1.2
187.14835	1.5
189.11169	3.4
189.12758	1.1
193.12244	2.0
195.68297	0.8
195.88831	0.8
201.16345	0.9
205.12250	2.0
223.11099	1.1
223.13292	20.8
227.12744	3.2
227.18013	1.3
230.39656	0.9
243.21135	2.1
245.19037	1.7
249.14909	2.9
255.17357	1.2
261.22079	7.8
273.18509	10.8
291.19540	100.0
292.19809	4.3
317.24765	2.7
335.25803	51.9
336.26019	2.4
365.23215	46.8
366.23575	2.6
545.38098	2.1
607.43256	2.4
625.44586	54.8
626.44775	6.1
760.54248	1.0
984.54871	2.9
985.56995	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6045
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	8.7
69.07070	26.9
71.04990	5.3
73.02905	1.8
77.03918	2.0
79.05492	72.5
81.03414	12.7
81.07056	91.6
82.07350	1.3
83.04990	11.0
83.08619	13.1
85.02894	9.8
85.06549	4.6
91.03947	4.0
91.05479	57.8
92.05804	1.8
93.07044	75.0
94.07361	2.1
95.04971	12.6
95.08605	50.0
97.02883	8.8
97.06513	12.0
97.10167	6.1
98.22561	3.4
99.04470	2.5
99.08054	1.6
105.04539	3.5
105.07028	42.0
107.04974	4.4
107.08594	43.7
109.02888	1.7
109.06520	5.9
109.10155	23.2
111.04411	1.7
111.08070	3.8
115.05473	2.0
117.07022	16.8
119.08570	29.8
121.06526	3.5
121.10145	29.8
122.10514	1.5
123.08092	4.1
123.10909	1.3
123.11726	7.6
125.09621	5.6
127.03925	5.1
128.06187	2.1
129.05522	1.8
129.07004	7.1
130.07837	2.1
131.08556	26.0
133.10118	22.8
135.08084	3.5
135.11694	18.2
137.09613	2.2
141.06982	2.6
143.08557	5.5
144.09331	1.5
145.04942	2.5
145.10106	15.5
147.11671	13.4
149.09616	6.6
149.13248	12.5
155.08548	2.7
157.06499	1.6
157.10133	6.6
159.11691	15.3
161.13254	9.2
163.11230	4.7
163.14824	2.5
169.10168	4.0
171.11708	5.7
173.04430	2.3
173.11958	2.3
173.13243	8.9
175.11128	1.8
175.14856	1.9
177.12701	3.2
179.14265	2.9
183.11707	1.9
185.13210	3.5
187.11214	2.1
187.14871	2.7
189.11237	3.0
193.12372	1.9
195.13701	3.3
197.13164	2.4
199.14771	2.6
201.02347	1.5
201.16519	1.4
219.17482	1.5
227.12819	4.6
229.14235	7.7
241.19385	1.7
243.21062	2.8
255.16035	5.2
257.19049	5.5
259.20721	3.0
261.22144	13.4
265.82724	1.4
269.17462	20.8
275.20071	23.0
293.21066	2.4
294.39478	1.5
309.20477	3.6
315.23157	1.7
317.24780	1.5
333.24423	1.7
335.25793	100.0
336.26077	8.4
349.23782	24.0
362.07318	1.5
413.22079	1.5
489.35800	8.4
505.35297	1.9
515.37305	13.8
516.37439	2.0
529.38861	56.7
530.38995	5.0
569.42084	11.6
609.45074	30.5
610.45319	3.7
627.46393	9.7
673.43256	1.4
986.56006	2.9
987.55597	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6044
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	8.5
69.06726	2.0
69.07067	25.0
69.14759	7.6
70.66856	1.0
71.04984	4.7
73.02910	3.7
74.19303	1.0
79.05488	76.9
81.03419	13.6
81.07051	100.0
82.07365	1.1
83.04982	11.3
83.08609	13.8
85.02902	12.3
85.06545	4.4
91.03934	4.2
91.05475	61.0
92.05805	1.9
93.07037	83.9
95.04956	10.8
95.08601	61.8
96.08893	1.2
97.02888	11.2
97.06527	14.0
97.10169	5.8
98.22533	1.9
99.04421	1.4
99.08086	3.7
103.05460	1.9
105.04520	2.6
105.07024	40.7
107.04951	7.3
107.08585	48.8
108.08934	1.9
109.02874	2.0
109.06529	7.8
109.10143	26.1
111.08099	5.4
115.05410	2.1
117.07004	22.0
119.08573	32.9
121.06485	2.3
121.10129	34.0
123.08058	4.5
123.11700	9.0
125.09605	4.5
127.03911	5.5
128.06177	2.5
129.05492	2.6
129.06987	7.0
130.07779	1.8
131.08563	30.4
132.66447	1.2
133.06447	1.2
133.10123	24.5
133.11061	2.0
135.08063	6.2
135.11688	19.7
137.09598	4.0
137.13290	1.6
141.06961	1.8
142.07751	2.1
143.08539	8.1
145.04927	2.5
145.10121	19.4
147.08015	2.2
147.11681	15.7
149.09569	7.8
149.13228	14.7
150.89876	1.2
151.11179	1.7
155.08568	3.3
157.10129	7.9
159.11684	18.9
161.09506	1.8
161.13255	9.5
163.11212	5.4
163.14827	3.7
169.10110	3.5
171.11699	4.4
173.04449	2.6
173.11827	2.3
173.13203	10.5
174.13625	1.0
175.14841	2.8
177.12753	3.2
179.14241	1.6
183.11684	3.6
185.13249	3.9
187.14825	4.5
189.12686	1.2
195.07964	1.1
195.13777	4.2
197.13261	3.3
199.11125	1.4
199.14789	2.7
201.12631	1.4
201.16406	1.5
209.13295	1.2
211.14827	1.9
215.17998	1.3
217.15912	1.4
219.17513	1.6
227.12711	2.6
229.14319	3.7
235.16991	2.2
239.17863	3.1
243.21016	3.8
255.15930	8.0
257.18933	5.8
259.20505	3.3
261.14746	1.3
261.22131	13.6
267.15970	3.0
269.17462	25.2
270.17755	1.2
275.20038	25.0
276.20395	2.5
293.21082	2.8
309.20596	5.2
317.24878	3.2
331.22601	2.4
333.24124	1.9
335.25787	94.6
336.25952	5.7
349.23685	20.5
350.24075	2.2
367.24710	4.4
375.38550	1.2
385.16531	3.5
398.89252	1.2
413.12335	9.7
413.21490	1.9
437.34052	1.9
489.35379	4.7
515.37268	15.0
529.38843	73.5
530.39093	7.2
569.41992	12.2
570.42139	2.1
576.91132	1.2
609.35242	1.5
609.45117	28.1
610.45221	3.4
627.46027	10.1
628.46521	1.5
673.42316	2.9
697.60931	1.3
753.47607	1.5
921.18079	1.3
986.55872	3.9
987.54315	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6043
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	10.9
69.07066	27.9
69.12211	2.2
69.12611	8.7
71.04990	6.3
73.02923	2.0
79.05492	73.5
80.05811	1.5
81.03415	15.1
81.07055	100.0
82.07385	1.9
83.04972	9.8
83.08619	16.4
85.02898	11.7
85.06544	4.6
87.06342	1.3
91.03971	6.9
91.04898	1.9
91.05477	58.6
93.07043	80.4
94.07354	2.2
95.01331	1.3
95.04973	13.4
95.08604	58.2
97.02885	10.2
97.06525	15.6
97.10174	5.6
99.04462	3.4
99.08093	3.9
103.05459	1.6
105.04537	2.8
105.06507	1.1
105.07030	45.7
107.04983	8.2
107.08590	46.1
108.08939	1.8
109.02869	2.6
109.06532	7.4
109.10155	24.4
110.22785	1.4
111.04428	1.5
111.08086	5.4
115.05466	3.8
115.07568	1.4
117.07030	20.6
119.08576	27.4
120.08927	2.1
121.06499	4.4
121.10148	33.5
123.08095	4.9
123.11703	6.5
125.09657	3.8
127.03918	6.9
128.06261	3.0
129.05458	1.7
129.07040	5.9
131.08572	25.1
132.59482	1.5
133.06473	2.1
133.10120	26.8
135.08058	5.5
135.11693	23.8
137.13283	2.0
141.07060	1.9
143.08560	6.5
145.04999	2.8
145.10101	20.9
145.22252	1.3
147.08049	1.4
147.11691	13.6
149.09610	9.3
149.13248	17.2
151.11217	2.2
153.12839	1.4
157.10117	5.9
159.11717	15.8
161.09654	1.8
161.13252	6.4
163.06032	2.5
163.11159	4.4
163.14832	3.6
169.10139	3.7
171.11722	4.9
173.04388	1.9
173.11891	2.2
173.13274	9.2
175.14825	3.2
177.12756	5.2
179.14389	1.7
179.79849	1.3
181.12209	2.0
183.11665	3.6
185.13326	4.1
187.11171	1.9
187.14873	2.9
189.11314	1.7
191.14334	1.9
193.12073	1.8
195.13805	8.4
197.13292	4.1
199.14806	3.4
201.12836	2.2
211.14690	2.0
215.18098	1.7
227.12733	2.5
227.18095	1.5
229.14369	4.7
229.19423	2.2
239.18019	3.3
243.21004	4.4
247.20720	1.7
253.14325	2.1
255.15894	15.3
257.19031	7.6
259.20511	3.9
261.22192	14.5
267.15955	3.4
269.17468	46.7
270.17859	1.9
275.20004	23.9
277.21802	2.2
291.19672	3.1
292.19733	2.0
293.20929	2.6
309.21216	1.3
313.21765	1.8
317.24799	2.7
331.22696	1.8
335.25800	92.2
336.26276	8.0
349.23734	21.4
350.23779	1.6
367.24713	6.3
413.21527	4.7
419.33359	2.2
437.34280	3.1
455.35220	2.7
471.96011	1.4
489.35693	3.9
515.37390	15.8
529.38904	86.7
530.39215	8.5
533.38300	1.6
569.41907	3.0
609.44977	27.5
610.45496	2.7
625.44971	2.4
626.44220	2.1
627.45935	14.6
673.43542	2.7
814.02197	1.6
920.90466	1.6
986.57190	12.2
987.54596	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03349	0.8
69.04070	2.8
69.04493	0.4
69.07029	0.6
71.04939	0.5
75.70169	0.3
79.05411	2.8
81.03371	0.4
81.06973	3.7
81.36843	0.3
81.37325	0.3
83.04982	12.2
83.08538	0.5
91.05475	5.6
93.07043	8.2
95.04967	1.9
95.08601	8.7
95.09174	0.4
97.06467	0.6
99.04374	0.5
103.05400	0.5
105.07023	6.3
107.04903	0.6
107.08601	3.6
109.06498	2.0
109.10137	1.6
111.04441	7.4
111.08079	3.6
113.05943	0.6
114.51741	0.3
115.05441	1.7
117.07014	2.7
119.08579	7.2
121.06506	2.9
121.10149	1.3
123.08059	1.4
125.05878	0.4
128.06215	2.7
129.07007	3.3
130.07683	1.0
131.08563	5.2
133.06398	0.9
133.10123	5.2
135.08061	2.6
135.11609	0.6
137.05974	2.4
139.07498	2.2
141.06979	3.2
142.07745	2.1
143.08566	4.7
144.09201	0.8
145.06477	1.3
145.10107	4.3
146.07184	0.5
147.08047	1.8
147.11667	1.9
149.05917	0.3
149.09540	0.4
152.06154	1.1
153.06993	1.8
154.07782	2.7
155.08540	11.6
156.09343	2.6
157.06487	1.9
157.08936	0.3
157.10121	5.3
158.07207	0.5
158.10753	0.4
159.08080	2.4
159.11687	4.3
161.09624	1.8
161.13130	0.8
163.11165	0.3
165.07016	2.6
166.07663	1.3
167.08577	4.1
168.09291	1.8
169.06412	0.7
169.10120	10.9
170.10733	0.8
171.08058	2.2
171.11691	5.9
172.08691	0.7
173.05855	0.4
173.09610	2.5
173.13153	1.0
175.11244	1.4
178.07822	2.5
179.07004	0.4
179.08525	5.7
180.09283	1.5
181.06378	1.0
181.10123	4.4
181.45355	0.3
182.07176	1.0
182.10796	1.3
183.08075	1.7
183.11684	3.9
184.12234	0.6
185.09514	1.3
185.13133	1.2
186.10249	0.4
187.11185	3.5
189.06914	0.3
189.09050	0.9
189.12657	0.5
190.07741	0.6
191.08455	1.4
191.10414	0.3
192.09322	4.0
193.10121	5.9
194.10916	2.7
195.08009	2.4
195.11693	5.3
196.08725	0.6
196.12453	0.7
197.09615	9.8
197.13258	2.5
198.10153	0.7
198.13817	0.3
199.11124	1.2
199.14653	0.3
201.09029	0.7
201.12686	0.7
202.07704	1.1
203.08459	1.9
203.10445	0.6
204.09387	1.6
205.08379	0.3
205.10176	4.2
205.12140	0.8
206.10895	3.6
207.08035	1.0
207.11691	9.0
208.08804	0.6
208.12326	1.6
209.09637	2.3
209.13222	4.3
210.10265	1.1
210.13846	0.5
211.07515	0.5
211.11217	2.1
211.14771	1.4
213.09000	1.3
213.12679	0.7
215.08540	1.3
215.10591	4.9
216.09387	1.7
216.11105	0.5
217.10124	3.2
218.10808	2.0
219.07993	0.7
219.09796	0.5
219.11667	6.7
220.08807	0.6
220.12442	3.0
221.09744	1.7
221.13211	5.7
222.10469	1.3
222.13832	1.0
223.07498	0.3
223.11205	2.4
223.14725	1.5
224.11877	0.4
225.08943	0.8
225.12689	1.6
227.10587	0.3
227.14241	1.1
228.09218	0.9
229.10135	3.4
229.12190	0.6
230.10893	2.9
230.38715	0.3
231.07928	0.7
231.11653	5.3
232.08775	0.7
232.12448	2.5
233.09735	1.4
233.13319	4.8
234.10278	0.7
234.13884	1.2
235.11182	3.8
235.14760	2.9
236.11942	0.6
236.15436	0.8
237.09070	0.4
237.12747	2.3
237.16238	0.6
239.08441	0.7
239.10645	0.5
239.14226	1.0
241.10017	0.8
241.12234	0.6
242.10825	1.2
243.11694	4.7
243.14053	0.2
244.08662	0.6
244.12454	5.3
245.09451	1.1
245.13232	7.1
245.15417	0.7
246.10291	0.9
246.13933	2.4
247.11212	3.1
247.14865	3.9
248.11783	1.0
248.15474	0.7
249.12738	3.6
249.16428	1.8
250.13351	0.6
250.17012	0.3
251.10649	0.5
251.14232	1.0
253.12180	1.3
254.10780	0.7
255.11615	1.2
255.14023	2.1
256.12210	1.9
257.09503	0.5
257.13196	4.6
257.15576	0.3
258.10489	0.6
258.13950	3.9
259.11502	2.1
259.14819	8.5
260.11832	1.1
260.15558	3.1
261.12692	3.2
261.16263	3.3
262.13220	0.7
262.16870	0.5
263.10574	0.8
263.14218	1.7
263.17776	0.9
265.12158	1.8
265.15622	0.6
265.19421	0.4
266.13007	0.4
267.11813	0.5
267.13910	2.5
268.12311	0.9
269.10214	0.3
269.13162	2.4
270.14050	2.2
271.11188	1.6
271.14728	3.8
272.11887	1.4
272.15451	2.2
273.12686	2.3
273.16302	5.5
274.13336	0.8
274.16940	2.1
275.10703	0.3
275.11163	0.3
275.14215	2.4
275.17755	2.9
276.11078	0.4
276.15106	0.7
276.18619	1.0
277.12244	0.9
277.15787	2.9
277.19016	0.5
279.13693	1.1
279.17163	0.5
280.12189	0.4
281.13177	0.9
282.13821	0.7
283.11432	0.6
283.14752	1.8
284.12125	0.6
284.15503	1.3
285.12704	2.1
285.16275	4.4
286.13425	2.5
286.17010	1.8
287.11023	0.4
287.14218	3.2
287.17871	2.6
288.14835	1.0
288.18472	0.9
289.12222	0.8
289.15759	1.6
289.19366	1.3
290.12967	0.4
291.13824	0.8
291.17343	4.0
292.17670	0.3
293.15558	0.5
293.18811	0.7
295.14359	0.5
295.17184	0.6
296.15366	0.5
297.12601	0.7
297.16235	1.0
298.13452	1.0
298.16913	0.6
299.14203	2.1
299.17862	3.7
300.14972	1.3
300.18622	2.5
301.15762	5.4
301.19382	2.9
302.16544	1.9
302.19864	0.7
303.13712	1.3
303.17343	1.9
303.21069	1.0
304.14713	0.5
304.18097	0.5
304.21606	0.5
305.15268	1.9
305.18771	0.7
309.18689	0.7
310.13245	0.4
310.16965	0.5
311.14246	0.8
311.17935	0.9
312.15048	0.7
312.18494	0.4
313.15775	1.7
313.19458	0.9
314.16525	0.8
314.20197	1.7
315.14069	0.4
315.17365	2.0
315.21017	2.0
316.17972	0.8
316.21796	1.0
317.15247	1.1
317.18970	1.1
318.15955	0.8
319.16965	3.5
320.17776	1.4
321.18484	1.5
323.17307	0.5
324.15091	0.5
324.18677	0.4
325.16162	0.5
325.19467	0.7
326.16687	0.3
327.17365	4.7
328.18024	0.5
329.15320	0.6
329.18964	1.7
331.16840	0.9
331.20532	2.1
333.18567	0.8
337.17975	2.4
339.20679	0.4
341.18915	1.2
342.19714	3.2
343.16666	0.4
343.20349	0.9
345.18515	3.4
346.18817	0.5
347.19983	1.3
349.21637	2.3
353.18832	0.4
357.18341	0.5
357.22339	0.4
359.19937	1.2
360.20828	1.6
365.18979	0.5
369.22156	0.4
371.20117	0.3
375.23282	0.4
381.22318	0.8
395.23715	1.4
397.21567	0.9
399.23352	6.3
400.23514	0.6
401.21014	1.5
403.19067	0.4
405.22147	0.5
413.24792	9.0
414.25092	1.1
415.26401	16.3
416.26877	1.5
417.24298	9.9
418.24658	0.9
419.22061	0.8
423.23135	5.0
424.23532	0.5
431.25821	6.9
432.26105	0.6
433.27383	12.3
434.27707	1.2
441.24234	49.6
442.24557	5.4
459.25287	100.0
460.25620	11.8
477.26352	37.0
478.26694	4.5
495.27316	1.2
512.14166	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
76.33589	1.9
77.25946	1.7
91.05482	3.2
93.07042	1.9
98.23454	2.6
105.07043	4.1
107.08588	2.9
117.06989	4.8
119.08588	5.1
128.06197	3.8
129.07011	4.8
131.08565	5.5
133.06450	3.1
141.06985	3.3
142.07756	3.0
143.08522	9.4
145.10121	6.0
154.09422	1.9
155.08563	5.0
156.09323	7.5
157.06497	3.9
157.10100	10.8
165.07005	3.0
167.08575	4.4
169.10139	8.3
171.08107	3.3
171.11658	15.9
173.09602	3.9
173.13206	3.0
179.08626	2.5
181.10120	5.0
183.11699	3.1
184.08836	3.1
185.09546	2.7
189.08994	2.8
192.09367	2.8
193.10098	3.6
195.11757	6.4
197.09659	5.3
197.13205	4.2
199.11211	9.1
206.10905	3.5
207.11676	13.5
209.13129	2.7
217.12213	19.2
219.11816	2.5
220.12524	2.0
221.13225	7.6
223.11142	4.1
225.12767	4.4
231.11528	2.3
237.12720	2.7
245.13220	1.9
267.13770	7.1
349.21579	3.2
399.23447	4.4
413.24756	53.5
414.24857	4.7
423.23395	9.5
441.24261	82.8
442.24350	5.1
459.25308	100.0
460.25397	8.0
477.26730	2.5
653.03778	2.4
803.56317	2.3
989.47180	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03403	1.8
78.43681	1.6
79.05486	4.9
81.07070	4.1
85.02922	2.8
91.05474	7.4
93.07050	5.1
95.04943	1.7
95.08599	3.1
97.02917	3.1
105.07027	10.1
107.08595	11.4
111.04413	1.9
115.05491	1.7
117.07024	5.3
119.08594	9.9
121.06472	2.8
122.97806	1.7
128.06259	3.8
129.07018	5.5
131.08540	10.1
133.06490	5.1
133.10107	9.4
135.08044	3.9
141.07004	2.4
142.07794	5.4
143.08580	9.9
143.96797	1.7
145.06474	2.1
145.10121	5.7
147.07999	2.2
153.07034	2.8
155.08530	10.7
156.09348	3.2
157.10112	6.9
158.07448	1.8
159.08067	7.2
159.11694	5.4
161.09637	10.2
165.06900	4.0
167.08588	3.3
169.10146	8.1
171.08022	3.8
171.11694	9.9
173.09608	4.2
173.13269	4.7
175.11206	4.7
179.08501	2.2
181.10123	3.4
183.11729	2.2
184.12476	1.7
185.09608	5.2
187.07524	2.2
187.11174	3.3
189.09161	2.0
192.09264	2.2
193.10161	3.1
195.11732	8.4
197.09592	3.8
197.13268	6.6
199.11172	7.5
201.12784	1.9
203.10602	2.7
205.08586	1.8
207.11748	5.2
209.09743	2.3
209.13245	7.6
211.11238	4.0
211.14757	13.7
212.15512	3.2
213.12788	2.2
217.12193	6.9
221.13304	3.7
223.11162	6.2
223.14810	3.9
225.12697	5.1
231.11630	2.4
237.12637	3.1
239.14305	7.0
241.12030	3.2
243.08392	2.1
249.12962	2.0
251.14526	2.9
253.12091	2.1
275.14261	2.4
305.15280	1.9
316.93338	1.8
347.09491	1.9
383.20251	2.1
389.24664	3.0
395.23624	6.0
399.23315	2.8
401.21204	2.6
413.24728	40.6
414.25101	2.5
415.26074	2.2
417.24191	4.4
423.23151	7.6
431.25830	100.0
432.26288	9.0
441.24289	37.9
442.24500	3.8
459.25293	70.4
460.25534	4.8
477.26413	49.0
478.26584	4.8
495.27377	2.3
663.27673	2.6
989.49200	41.8
990.48615	4.9
1013.28717	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
71.11224	3.5
71.33095	4.9
71.33471	4.2
75.40912	3.6
90.40679	3.9
95.04946	3.8
105.03388	100.0
130.33002	3.7
314.07819	12.1
321.11127	8.2
383.14963	44.1
384.14713	6.9
491.20163	6.2
594.47791	4.2
990.53461	14.5
991.55090	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.5721
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29491	9.9
74.48362	1.4
79.05476	3.2
81.07063	2.6
83.04992	7.8
90.09175	1.4
91.05463	5.7
93.07062	8.6
95.04982	2.0
95.08607	10.2
105.07039	6.0
107.08567	4.3
111.04456	6.1
115.05493	1.7
117.07022	2.4
119.08556	6.2
120.47970	1.4
121.10146	1.9
123.08058	2.2
129.07022	3.0
131.08580	5.2
133.06435	1.4
133.10141	6.3
135.08064	2.2
139.07498	3.5
141.07056	1.8
142.07780	2.8
143.08542	5.0
145.10097	4.8
147.11693	3.0
155.07448	1.5
155.08571	8.6
156.09320	3.1
157.06488	3.5
157.10161	8.0
159.08086	2.5
159.11707	2.9
161.09634	4.0
165.07021	2.8
167.08540	3.4
169.10112	8.8
170.10902	2.1
171.11693	6.4
173.09541	2.3
175.11143	1.9
179.08585	3.0
181.10185	4.0
183.11746	3.0
183.71912	1.4
185.09560	2.4
187.11217	4.2
192.09567	2.1
193.10136	3.5
194.10835	2.0
195.07996	3.3
195.11725	4.3
197.09695	3.9
197.13316	3.8
199.11191	9.6
203.08487	1.6
205.10123	3.0
206.10954	3.4
207.11668	7.1
209.09593	1.8
209.13249	4.0
211.11278	2.3
211.14992	2.4
213.12643	1.7
215.08781	1.6
217.10175	2.3
217.12196	2.9
218.10922	3.2
219.11668	5.1
220.12431	2.2
221.13268	10.4
223.11130	2.0
223.14708	3.4
225.12857	2.0
225.49265	1.7
230.10606	1.6
231.11652	2.5
232.08897	2.2
233.09622	1.7
233.13261	4.1
235.11246	2.1
235.14801	4.2
237.12755	4.2
243.11630	2.0
244.12492	2.0
245.13213	3.5
246.14005	2.0
247.11212	3.2
247.14748	4.4
249.12794	5.2
251.14276	4.2
255.13843	2.1
257.13394	2.6
259.11279	2.2
259.14679	2.6
260.11984	1.9
260.15457	1.5
261.12671	4.0
261.16312	3.3
263.14438	1.8
263.17828	1.8
267.13977	3.6
272.11905	1.5
273.12762	3.3
273.16263	2.5
275.14304	2.3
275.17917	2.1
277.15842	1.9
277.19144	1.6
283.14716	2.1
285.12595	2.3
286.13571	2.5
287.14334	3.5
287.17807	2.2
288.14859	2.6
289.15842	4.1
301.15881	4.6
301.19312	2.7
303.17279	5.4
303.20612	1.6
304.18115	2.4
307.16684	1.7
317.18909	2.1
329.19012	4.7
333.22134	1.8
344.21060	2.3
362.22122	2.5
401.24924	2.2
415.26367	13.1
417.27942	3.7
425.24725	14.9
433.27533	4.3
442.24283	2.5
443.25787	100.0
444.26038	10.0
460.25980	3.6
461.26831	59.2
462.26987	6.4
479.27979	10.2
499.24518	2.2
517.25629	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.48
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	2.7
69.07059	1.5
69.08636	2.9
69.09050	0.8
71.04998	0.6
77.24133	0.4
79.01836	0.4
79.05502	4.5
81.03415	9.4
81.07059	4.5
83.04988	2.2
83.08622	2.7
85.02905	0.9
91.05476	4.2
93.03401	1.2
93.07069	2.5
95.04965	6.0
95.08643	1.9
97.02893	1.6
97.06529	1.4
97.10174	1.6
103.05462	1.0
105.07021	2.2
107.04939	1.6
107.08588	1.8
109.02924	0.5
109.06527	1.0
109.10157	1.3
111.04437	6.2
111.08104	0.9
115.05446	1.2
117.07035	1.0
119.04942	0.5
119.08567	2.2
121.02880	1.0
121.06527	1.4
121.10164	1.7
122.46535	0.4
123.04447	4.3
123.08044	0.6
125.09635	1.1
127.03910	1.1
128.06187	0.6
129.06981	2.1
131.04906	1.3
131.08582	1.9
133.06490	0.6
133.10135	1.1
135.04448	1.3
135.08064	0.6
135.11711	0.6
137.06026	1.3
139.03900	100.0
140.04208	2.4
141.05463	1.0
141.06963	1.0
143.08606	0.5
145.06471	1.1
145.10152	0.8
147.04407	1.4
147.08037	0.9
147.11705	1.4
149.05952	2.2
149.09607	0.8
151.03900	3.7
153.01840	0.4
153.05467	2.8
153.06932	0.7
155.04886	0.5
155.08463	0.4
157.06548	1.1
157.10112	1.4
161.05980	5.7
163.03902	28.2
163.07585	1.2
163.11159	0.7
164.04292	0.5
165.05486	7.6
165.06894	0.5
166.05821	0.5
167.07007	1.0
167.08569	0.8
169.06462	1.0
171.08096	0.7
173.05978	11.2
173.09634	0.5
174.06577	0.5
175.03938	2.1
175.07558	2.6
175.11201	1.5
177.05455	6.9
177.12766	0.6
179.03371	1.2
179.07031	2.3
179.08424	0.6
181.04977	1.3
181.06523	1.4
184.07326	0.4
185.06001	1.1
187.03972	1.5
187.07542	5.9
189.05449	4.6
189.11295	0.6
191.07022	1.0
191.08650	0.6
193.04924	0.7
193.06511	0.7
193.12263	2.1
193.36247	0.4
195.08073	1.3
197.05881	2.0
199.07524	5.4
200.04738	0.6
201.05463	3.0
201.09105	2.1
203.06969	2.2
205.04919	4.7
205.06583	0.5
205.12241	0.9
207.08147	0.6
207.13974	0.5
209.05907	1.0
210.06776	0.5
211.07515	3.6
211.13245	0.8
213.05498	3.9
213.09042	2.4
215.07077	2.3
217.04922	0.6
217.08586	0.5
223.07628	2.1
223.13275	0.6
225.09109	1.7
227.07019	1.6
227.10612	0.5
227.12753	1.0
229.04910	1.1
229.08549	0.8
231.06479	0.4
235.05841	0.8
237.05389	0.5
237.09105	1.1
239.07083	0.9
239.10599	0.8
241.08597	0.5
241.12283	0.5
247.05916	0.6
249.09210	0.5
251.07295	0.7
251.14250	0.7
255.06439	0.4
267.15952	9.3
269.15344	0.5
273.17102	0.8
281.15292	0.5
283.08286	2.6
285.14621	1.1
285.17316	0.7
287.16217	0.6
295.06079	1.7
295.13071	0.5
297.14865	1.3
299.16400	0.7
301.09274	3.7
301.14523	0.4
305.07907	0.5
308.06717	1.7
309.07471	0.9
309.14777	0.6
311.16342	0.6
313.07053	1.3
313.14273	1.0
315.15900	3.8
321.07306	0.5
323.09134	0.6
323.16476	0.7
325.14325	2.2
327.15845	3.1
331.15421	1.4
333.07538	0.5
333.17004	0.5
335.09131	1.3
335.16385	0.5
339.15881	2.2
343.15552	0.7
345.07831	0.4
355.15500	0.9
357.16727	0.8
359.18423	1.2
361.18015	1.1
363.15741	0.5
371.18549	0.7
381.16873	0.5
386.97522	0.5
389.19592	1.7
399.18002	0.7
401.19583	0.7
413.19870	0.7
417.19061	0.6
419.20511	0.5
421.16296	2.4
447.18036	4.0
448.18411	0.5
459.18048	0.6
465.19061	3.0
477.18753	0.6
489.26840	0.4
501.26746	0.6
513.26086	0.9
521.21667	0.8
531.27283	1.7
539.22607	1.7
546.47546	0.6
549.28558	0.6
551.29700	0.9
567.29205	0.8
568.81683	0.4
569.30334	0.9
575.30151	0.8
576.94165	0.5
579.29492	0.7
581.31299	2.5
582.30994	0.5
587.30194	1.4
591.29236	0.5
593.31079	4.4
594.31665	0.8
605.31158	3.5
606.31335	0.5
609.30829	1.0
611.31879	2.6
621.28174	1.0
623.32025	3.5
639.29388	1.6
641.32471	0.6
657.30432	1.5
675.31720	0.6
687.31165	1.6
695.31995	1.2
705.32446	2.3
713.22876	0.5
713.33130	4.4
714.33264	0.6
731.21478	0.8
731.34229	13.5
732.34589	2.3
749.35229	6.8
750.35278	1.1
755.34210	0.6
763.36591	3.0
781.38000	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07069	2.1
69.11330	3.4
69.11752	2.1
79.05478	2.1
80.01560	0.6
81.07063	3.8
82.18961	0.7
83.04979	2.1
83.08616	1.6
91.05481	2.4
93.07072	5.1
95.04919	0.9
95.08595	7.7
97.06554	0.9
105.07024	5.1
107.08592	3.8
109.06492	0.7
109.10162	2.7
111.04420	0.9
111.08081	0.9
117.07018	1.5
119.08594	6.2
121.06518	1.0
121.10142	1.8
123.08068	2.4
123.11708	1.5
128.06239	1.2
129.06982	1.6
131.08578	3.0
133.10136	3.7
135.08083	0.7
135.11674	1.1
137.09686	0.9
139.03894	5.6
141.06914	0.9
141.09120	0.9
142.07777	1.3
143.08582	4.3
145.10135	6.0
147.11703	2.6
151.03949	0.7
155.08521	1.8
156.09383	1.2
157.10114	6.1
159.07990	1.0
159.11725	4.5
160.12485	0.6
160.37888	0.6
161.09622	2.4
161.13263	2.5
163.03868	0.9
167.08620	1.0
169.10152	2.1
171.11719	5.0
173.09633	1.6
173.13268	3.3
175.11214	1.6
175.14816	1.2
179.10631	0.7
181.10168	1.0
182.10939	0.7
183.11678	2.1
184.12508	0.6
185.09695	0.9
185.13232	2.9
187.11211	1.6
187.14888	3.2
189.12714	1.5
193.10072	0.7
195.11720	1.9
197.13220	1.9
199.14848	2.7
201.16333	0.8
205.04890	0.8
205.12044	0.7
207.11794	0.8
209.09677	1.5
209.13245	1.3
211.07507	0.9
211.14861	1.1
213.05344	0.7
213.12727	1.9
213.16304	0.8
215.14330	1.7
220.08698	0.8
221.09589	1.0
223.14900	1.4
225.12607	0.9
225.16357	1.0
227.07037	0.9
227.14417	0.8
227.17955	2.7
229.15910	1.2
235.11261	1.0
236.11952	0.8
237.09108	2.5
237.16348	0.8
239.10535	0.8
241.12146	0.8
241.19485	2.0
243.21019	0.9
248.08231	1.4
249.09148	1.1
250.09875	1.0
251.10695	1.8
251.18022	1.1
252.11473	2.0
253.08578	2.5
256.07355	1.4
257.08179	1.1
263.10751	4.1
264.11441	1.2
265.08612	3.9
265.12280	1.9
266.09323	1.1
267.06705	1.3
267.10214	1.6
267.13477	0.9
269.11734	1.0
269.18964	4.4
271.09610	1.2
277.08664	1.5
277.12286	1.0
279.10104	2.1
280.10922	5.0
281.08191	1.7
281.11737	5.1
283.09659	1.1
284.06674	1.2
285.07645	6.4
285.10712	1.3
291.10196	4.2
292.10956	2.2
293.08096	2.5
293.11703	2.6
294.08917	1.4
294.12241	1.3
295.09900	1.4
295.13303	10.4
295.20483	1.4
296.13998	1.7
297.11246	3.5
299.09167	3.5
300.09964	1.4
301.10229	0.7
301.21405	1.0
307.09738	1.1
307.13147	1.1
308.10413	3.6
309.11288	6.5
309.14636	1.0
310.11768	1.0
312.13391	3.2
313.14175	1.4
314.11465	3.8
317.10251	0.9
323.12769	11.1
324.13437	6.0
325.10751	2.2
325.14371	3.0
327.15918	7.2
337.14349	3.4
340.13052	2.5
341.13815	10.1
342.14120	1.4
351.23154	2.1
355.15396	35.6
356.16159	39.0
357.16531	2.3
359.18414	2.9
367.26321	7.2
369.24304	10.0
372.15747	1.0
381.27866	2.9
383.29382	1.0
385.27234	1.0
387.18011	100.0
388.18350	6.3
391.26215	3.7
409.27365	30.7
410.27493	2.2
509.21677	7.1
627.35803	0.8
675.84174	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.6101
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	4.3
69.07067	12.0
71.01344	1.7
71.04977	2.5
71.08635	22.9
71.29956	1.4
73.02913	3.8
79.05491	15.6
81.03425	8.9
81.07054	33.7
83.01325	1.3
83.04977	5.0
83.08619	18.2
85.02908	18.5
85.06548	4.4
85.10178	13.7
87.04452	2.5
89.06034	1.5
91.03954	4.9
91.05476	10.5
93.07055	7.3
95.04953	3.9
95.08610	27.3
97.02884	8.3
97.06543	4.1
97.10175	17.5
105.07032	4.1
107.04990	2.2
107.08578	7.8
109.06531	2.0
109.10159	53.4
111.08102	2.9
111.11777	1.3
117.07029	2.5
119.08577	5.8
121.10139	2.4
123.08018	1.4
123.11699	4.2
123.81287	1.0
124.54778	1.0
125.09622	13.1
127.03915	2.5
129.05461	2.2
131.08533	2.0
135.08064	1.4
135.11694	2.6
137.09624	2.8
137.13295	1.6
143.10677	1.7
143.95306	1.0
145.04965	2.4
145.10107	5.3
153.12744	2.9
155.10721	3.2
163.06061	3.2
163.11156	8.1
173.09616	1.3
173.10283	1.4
173.11734	14.8
174.12221	1.4
181.12210	1.7
191.10678	3.5
193.12260	2.6
199.13322	6.8
209.11787	6.4
227.12775	10.8
229.14359	46.3
230.10606	1.1
230.14653	1.8
239.23735	4.5
253.96327	1.2
257.13797	1.4
257.24759	2.2
265.14395	1.3
265.74603	1.1
267.15887	4.8
283.15369	4.6
301.16476	17.9
313.27353	100.0
314.27747	3.9
330.10779	1.1
341.26837	3.0
399.23807	13.9
437.36169	4.3
455.37375	10.0
467.37381	36.3
468.37823	2.7
505.38837	2.7
508.06281	1.1
521.38489	1.4
539.39508	13.4
555.82361	1.3
557.40320	3.3
637.46680	38.8
638.47101	3.0
744.39716	1.1
746.03107	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
84.89474	0.2
104.10730	0.3
107.83230	0.2
112.07613	0.3
374.06406	0.2
501.23935	0.8
518.32300	0.2
519.25043	100.0
520.25354	7.8
520.33105	0.4
544.55829	0.2
549.22162	0.3
786.74188	0.2
860.69965	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78114	1.6
84.38563	0.4
91.01955	0.5
96.71587	0.4
96.96016	0.3
98.22481	0.7
99.04526	1.8
109.02965	11.6
117.72998	0.4
121.02998	0.9
122.03777	2.4
123.04535	2.3
124.01715	1.0
125.02454	6.4
135.04553	0.4
137.02457	43.2
138.03268	11.4
139.04060	2.0
149.06097	6.7
151.04022	0.8
152.04839	2.2
154.02748	1.0
163.07690	0.5
164.04797	1.3
165.05589	2.8
167.84955	0.4
170.02260	2.4
177.09171	0.6
179.07133	3.0
184.03838	0.9
193.08760	0.6
195.41690	0.3
205.08736	1.2
209.11896	0.4
212.09106	0.4
224.38536	0.3
244.23262	0.4
313.14258	0.4
315.12396	4.5
329.13950	1.9
330.14737	52.3
331.15143	4.6
344.16299	2.4
345.17081	100.0
346.17441	9.3
424.39493	0.4
455.03781	0.4
501.97778	0.4
513.20752	0.5
712.69257	0.4
843.98053	0.4
877.03357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95743	18.2
80.96513	0.4
94.77836	0.2
95.95241	13.4
96.96019	49.8
98.22525	0.4
110.97585	5.6
122.03770	0.2
125.02534	0.2
136.99152	3.2
141.95775	0.6
147.04562	0.2
165.05569	0.6
167.00206	25.4
168.00511	0.5
170.36771	0.2
179.07149	0.2
231.81284	0.2
245.01169	0.2
259.02704	0.4
273.04480	0.9
287.05887	1.1
289.03867	0.3
303.05548	0.9
343.65851	0.2
346.14404	0.3
361.16599	0.7
395.08194	0.6
426.09891	3.5
427.10056	0.2
441.12256	100.0
442.12564	9.6
442.18710	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01398	1.9
73.02934	0.4
79.95715	0.7
80.96513	1.8
81.03436	1.0
83.01353	0.4
83.05036	1.6
85.02495	0.6
85.02956	6.8
87.00884	2.3
89.02426	0.6
93.03468	6.0
94.98083	0.4
101.02431	0.9
109.02914	1.4
111.04540	2.1
113.02427	0.4
125.02446	1.9
127.04019	1.8
130.04260	0.7
132.28020	0.4
133.02960	0.6
135.04520	1.1
135.08173	0.4
137.02411	1.4
144.47160	0.3
146.03658	1.0
151.03951	0.4
152.98712	0.3
153.01935	0.4
155.03455	1.3
158.03685	1.1
159.04538	3.9
160.05319	3.1
161.02406	1.0
161.06203	0.5
163.11249	1.1
164.11752	0.4
165.01923	0.4
171.04408	0.5
172.05313	13.9
173.04517	2.9
173.06036	5.3
174.06764	1.1
175.03909	0.6
177.01942	0.7
183.04446	0.5
184.05264	0.5
185.06067	3.0
186.03200	0.7
186.06873	2.2
187.04022	5.5
187.07550	1.3
188.04683	0.4
191.05630	30.5
192.05913	0.8
197.06065	0.9
198.06854	0.8
199.04028	2.4
199.07619	0.6
200.04736	1.8
201.05577	4.1
202.06354	6.3
204.04253	4.2
209.09859	0.6
209.11839	11.2
211.03999	0.5
211.07668	0.8
212.08377	0.5
213.05606	0.7
217.12329	0.3
225.00702	0.5
227.03496	4.9
227.10803	0.5
227.12891	0.7
228.04298	2.2
231.30432	0.3
232.03703	0.7
239.14391	1.1
255.13983	1.7
257.15427	1.5
265.12421	0.6
267.13986	0.5
283.13419	100.0
284.13779	6.8
285.14972	1.2
289.07266	0.8
297.14996	0.5
299.16547	1.5
301.14478	17.7
302.14902	1.2
309.11847	0.3
309.15033	6.7
310.15128	0.5
311.12875	5.7
312.13391	0.4
325.14600	0.4
327.12390	7.7
327.16077	20.1
328.12799	0.8
328.16385	1.2
329.13940	1.0
339.15762	0.4
345.13428	1.6
345.17130	4.3
346.17148	0.6
353.13995	4.8
359.06961	0.3
371.15076	1.6
377.76941	0.4
494.37668	0.4
517.97797	0.4
537.23358	1.8
558.72095	0.4
563.24982	1.2
581.26227	8.3
582.26489	1.1
607.23962	0.8
625.24957	1.9
747.36523	2.5
773.36920	2.2
774.37543	0.6
775.35712	0.9
781.57959	0.5
791.38391	23.0
792.38611	3.7
817.36609	11.2
818.37073	2.7
835.37683	41.3
836.37921	8.8
871.34894	0.7
1009.42932	23.8
1010.42847	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	2.4
73.02916	0.5
80.02634	0.5
81.03417	1.4
83.01343	0.8
83.05032	2.0
85.02962	6.6
87.00868	1.7
87.01347	0.4
89.02413	1.1
89.37052	0.4
93.03470	5.5
95.01390	0.5
96.96008	0.4
98.21709	0.8
101.02427	1.2
109.02940	1.4
111.00899	0.5
111.04522	2.1
112.92609	0.4
113.02433	0.9
113.10716	0.4
125.02428	2.0
127.03990	1.2
130.04250	0.9
133.03020	2.5
134.03740	0.8
135.04503	0.9
137.02425	1.4
141.43323	0.3
146.03688	0.9
149.02402	0.4
155.03473	1.3
158.03716	1.1
159.04526	4.6
160.05322	3.0
161.02461	0.9
163.11281	1.3
165.12804	0.5
172.05315	14.2
173.04521	2.6
173.06042	6.5
174.06828	1.0
177.01915	1.0
183.04539	0.9
184.05217	0.8
185.06088	3.1
186.03169	0.4
186.06857	2.9
187.04047	5.8
187.07576	1.2
191.05620	31.1
192.05975	0.7
194.78360	0.4
197.06070	1.1
199.04030	3.2
200.04726	2.2
201.05571	4.8
202.06363	7.1
204.04309	4.1
209.11845	12.4
210.12181	0.5
211.07639	0.5
227.03543	4.7
227.10773	0.6
228.04286	1.7
232.03830	0.6
239.14413	0.9
241.12323	0.6
255.13860	1.6
257.15436	1.1
267.13934	0.5
271.13574	0.5
281.15488	0.5
283.13412	100.0
284.13736	7.7
285.15015	1.4
299.16589	2.0
301.14478	16.7
302.14890	1.4
309.14966	9.3
310.15338	1.0
311.12848	5.9
312.13339	0.7
317.17828	0.5
325.14328	0.7
327.12384	6.7
327.16064	24.0
328.12820	0.9
328.16373	2.5
329.14001	1.8
339.16086	0.4
345.13345	1.8
345.17145	4.4
346.17828	0.6
353.13873	3.7
371.15085	2.8
537.23700	3.3
563.24994	0.6
581.26263	10.7
582.26111	0.8
607.24194	1.2
625.25201	1.4
747.36456	2.6
773.36395	2.9
774.36389	0.6
775.35101	0.7
791.38251	24.5
792.38660	5.0
817.36658	12.1
818.36670	2.6
835.37622	45.6
836.37915	8.4
876.62775	0.5
965.41663	0.5
1009.42767	21.1
1010.43616	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0246
Annotation	2-Methyl-3-oxopropanoate
Peak:m/z	Relative Intensity
55.01888	20.2
57.03188	4.3
57.03455	78.8
58.00593	4.7
59.01099	2.5
59.01387	51.8
68.99812	5.9
70.80373	4.7
71.01391	34.9
72.99319	10.7
73.02950	58.9
83.01391	10.0
94.84969	2.1
100.92550	2.7
100.94647	2.4
100.96033	2.9
101.02453	100.0
101.06094	6.7
101.92499	17.5
102.02801	3.0
102.05605	8.5
108.46305	2.2
113.87184	2.2
115.92085	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
95.91537	0.6
98.21757	2.7
107.01405	3.1
109.02956	1.8
121.02972	2.0
125.02408	1.9
135.00954	0.7
151.00394	11.1
159.04562	0.8
159.98387	0.6
161.02464	0.9
163.00377	2.6
164.01207	1.0
166.14459	0.6
171.04552	0.7
175.42943	0.6
177.01921	0.8
178.99873	6.1
183.04564	1.1
187.03983	0.7
199.03920	0.8
199.38103	0.6
211.04039	1.7
227.03522	22.2
228.03864	1.5
229.05107	1.6
230.02808	0.7
230.05119	0.8
243.02963	6.1
245.04567	2.2
254.02232	1.5
255.02997	51.3
256.03479	5.1
257.04507	1.2
271.02487	30.7
272.02985	2.8
273.03769	1.0
283.02469	2.7
284.03284	53.9
285.03903	11.6
286.04391	1.2
300.02771	55.1
301.03513	41.8
302.03818	3.3
447.09329	100.0
448.09744	9.6
563.14056	64.7
564.14392	7.0
764.26697	0.8
816.22961	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	3.3
71.32261	4.1
77.04003	4.4
81.03465	7.7
83.01408	21.7
89.02404	4.5
89.22750	3.6
93.03458	4.8
95.05000	5.3
97.02968	9.9
99.04527	6.1
109.02956	12.1
121.02958	9.4
122.03748	5.4
123.04525	7.9
125.02457	100.0
135.04543	5.2
137.02454	73.2
146.03725	23.4
147.04523	4.3
150.03159	3.7
151.04030	9.2
159.04503	14.8
161.02448	4.7
161.06110	4.4
164.01161	22.6
165.01933	43.4
167.03516	24.4
172.05278	6.5
173.06110	9.3
174.03223	13.4
174.06891	6.1
175.04002	3.8
177.01941	8.4
179.03499	14.8
187.03989	7.1
188.04774	9.9
200.04587	4.8
201.05586	4.7
204.04254	4.4
212.04759	5.6
225.05487	5.0
252.07997	4.6
269.11786	4.8
271.13339	28.1
285.15131	5.5
289.07089	7.2
289.14499	8.3
293.21042	4.7
295.13184	4.0
297.14969	5.1
299.12814	9.1
313.14371	16.8
325.14462	15.5
335.16486	5.6
337.14487	7.1
343.15546	8.5
377.17523	5.2
380.99298	3.6
393.17001	4.1
419.18692	15.0
437.19543	8.3
463.17755	7.8
481.19067	5.0
501.32138	7.0
531.11963	4.1
567.24377	6.6
673.28802	6.8
717.27057	6.0
843.45117	20.9
855.44891	13.9
867.44904	7.9
873.45837	8.6
949.49133	13.7
961.54974	3.9
967.48016	6.6
975.46588	5.6
993.48590	86.3
994.49622	23.2
1011.49670	54.0
1012.48993	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.497
Annotation	Unknow
Peak:m/z	Relative Intensity
71.32063	1.4
73.33794	0.9
75.78263	0.9
81.03465	3.0
83.01416	4.2
83.52710	1.0
93.03469	4.2
95.05062	3.6
96.02636	1.0
97.02960	5.5
100.03008	1.0
107.05027	1.1
109.02953	20.3
109.38910	1.0
121.02980	5.0
122.03760	1.3
123.04534	14.1
123.05283	1.4
125.02477	16.6
135.04532	2.5
137.02467	18.8
139.04015	4.9
145.02980	2.2
146.03714	1.8
146.04713	2.5
149.02420	6.2
151.04041	5.8
159.04536	4.5
160.05278	2.0
161.02492	3.8
161.06117	7.4
162.03281	2.9
163.00414	1.6
163.04070	1.8
164.01183	5.0
165.01955	6.0
167.03604	2.1
174.03244	1.2
175.04030	3.7
175.07713	2.7
177.01953	3.3
177.05626	1.7
179.03525	6.7
185.06169	1.1
187.03984	6.2
188.04889	5.1
199.07600	1.7
203.07187	15.6
204.07448	1.1
205.05119	9.5
221.08261	2.3
223.13481	1.4
227.07230	2.8
245.08194	19.6
265.14658	1.4
277.21860	1.9
289.07224	100.0
290.07596	4.0
437.76978	1.1
781.26355	1.3
805.43878	2.0
859.44885	5.1
967.48157	1.5
993.48529	5.9
1011.49774	62.9
1012.49951	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31724	1.7
71.32207	2.1
81.03467	6.6
83.01398	12.0
93.03496	6.1
95.01412	2.0
95.05029	6.9
97.02960	15.8
105.86067	1.4
108.02181	2.8
109.02961	41.4
121.02988	10.5
122.03746	2.2
123.04543	35.2
123.05402	2.3
125.02459	28.8
125.09754	1.7
131.26595	1.2
133.02951	1.9
133.12378	1.3
135.04579	5.6
137.02466	35.6
138.02959	1.6
139.04044	8.4
145.02988	2.8
146.03741	5.3
147.04561	1.4
149.02455	12.9
150.03209	1.7
151.04016	14.4
157.06697	1.9
159.04546	11.6
160.05327	4.6
161.02431	6.8
161.06076	17.2
162.03210	4.5
163.00407	5.0
163.04037	3.2
164.01166	10.9
165.01965	9.5
167.03539	3.9
168.69891	1.8
173.06129	2.3
174.03267	2.2
175.03987	6.7
175.07654	7.0
176.01180	2.8
177.01930	7.5
177.05640	3.0
179.03497	10.4
185.06082	3.4
187.04013	12.0
188.04790	9.4
199.07753	3.1
201.05577	2.6
202.06335	3.3
203.07146	30.1
203.08855	2.3
205.05074	16.5
221.08282	4.5
223.13501	2.0
227.07196	4.4
231.99518	1.6
245.08217	23.0
246.08443	1.5
247.06200	2.9
277.21890	5.9
289.07205	100.0
290.07666	5.2
480.00958	1.5
522.79364	1.5
598.64001	1.4
598.85760	1.3
634.41431	1.5
805.44965	2.0
859.45068	5.7
993.47961	6.2
994.49420	2.0
1011.49683	55.7
1012.49713	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.5837
Annotation	Unknow
Peak:m/z	Relative Intensity
71.48231	1.1
87.00915	1.9
93.03497	1.6
111.04552	2.2
113.38675	1.2
117.52651	1.1
125.02444	2.0
145.07692	1.0
182.09398	1.0
191.05620	1.7
303.92273	1.2
499.30838	2.1
512.35468	1.0
517.31726	100.0
518.32080	15.2
739.45978	1.1
952.41217	1.3
1023.37158	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	0.6
101.44541	0.6
107.00558	0.5
107.01379	0.9
108.02180	1.2
148.01656	1.4
151.00375	4.9
163.00359	0.7
165.65993	0.5
175.69286	0.5
178.99832	3.8
199.04156	0.5
215.03566	0.5
226.02654	1.6
227.03511	2.7
229.04977	0.6
243.02992	9.5
244.03711	0.7
254.02248	1.7
255.03014	21.3
256.03479	1.4
271.02505	48.3
272.02863	3.7
299.01926	1.9
300.02771	92.9
301.03348	12.4
325.03467	0.6
333.57379	0.5
433.07709	4.8
574.04633	0.6
579.13580	100.0
580.13904	11.7
723.49408	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03968	0.7
83.05024	1.5
85.02953	0.6
86.34300	0.4
87.00860	0.4
89.04005	0.6
93.03471	4.1
95.05025	1.3
97.06602	1.2
105.03460	5.0
107.01380	1.1
109.02924	0.5
111.04525	2.8
117.03468	3.1
119.05048	0.8
121.02973	1.0
123.04546	1.2
132.02095	0.6
133.02965	19.9
134.03749	32.7
135.04544	10.9
137.02438	3.8
139.03992	0.8
143.85149	0.5
145.02963	0.7
149.02446	0.6
151.00383	6.0
155.03525	3.8
161.02444	2.2
162.03218	9.1
163.00426	0.5
173.04562	9.1
173.06029	0.9
177.01944	9.0
178.02721	8.3
178.99875	0.6
187.07646	1.2
191.05566	2.2
203.10785	1.5
211.03976	0.6
213.09166	0.6
218.47386	0.4
227.03510	9.6
228.03857	0.9
229.04916	0.6
231.10263	34.5
232.10600	2.0
255.02997	19.4
256.03510	2.3
257.08276	0.7
269.04614	0.5
271.02393	1.1
275.09256	100.0
276.09561	6.7
284.03268	30.6
285.03879	5.6
287.05707	2.4
300.02756	1.5
301.03320	1.4
352.07825	0.6
447.09357	1.7
448.09671	1.3
449.14746	32.6
450.15005	3.7
563.14063	44.2
564.14368	4.9
565.14355	1.2
580.56104	0.5
1005.35736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.6371
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01355	0.3
71.30470	0.1
72.99303	0.5
83.05041	0.2
87.00888	2.1
89.02454	0.1
96.96037	0.2
117.16780	0.1
122.61788	0.1
125.02450	0.2
142.66273	0.1
187.87419	0.1
197.11919	0.2
198.69818	0.1
307.19342	0.2
309.20721	0.2
351.27261	0.3
353.24802	0.3
361.37045	0.1
381.28094	0.2
395.25906	0.2
397.22729	0.2
397.27451	0.9
411.02698	0.1
425.26947	0.4
437.30716	0.2
443.27896	0.4
455.31854	0.7
483.31192	1.3
499.30481	0.4
500.30939	0.4
501.32260	100.0
502.32602	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.4716
Annotation	Unknow
Peak:m/z	Relative Intensity
71.19859	2.7
72.25137	2.9
77.81312	2.7
108.65310	2.6
123.04626	3.5
125.02431	10.5
177.02057	3.2
312.63629	3.0
319.98358	3.2
354.73270	3.1
394.13144	2.8
483.27496	5.2
491.24261	3.3
527.21741	100.0
528.22430	12.5
588.77533	3.1
650.77539	3.2
767.05859	3.1
767.18457	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
71.32085	13.5
74.73504	8.3
100.29300	8.5
132.70226	7.6
142.88156	8.5
226.87975	8.7
248.60152	8.3
299.07141	8.6
433.23737	8.1
461.40100	8.1
513.28998	10.2
529.23376	100.0
530.24054	15.6
538.02228	9.5
832.32843	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02935	4.0
85.09591	2.0
97.02927	10.4
98.22641	2.5
99.04517	6.2
111.15037	1.8
125.02431	2.6
133.02969	2.5
137.02484	2.3
139.07619	3.0
139.28496	2.2
181.23260	2.0
229.63857	3.3
257.15543	2.6
331.69742	2.2
334.95740	2.3
365.24655	2.9
391.22858	6.4
409.23877	7.5
427.24774	9.9
429.12067	4.7
485.29132	76.9
486.29370	9.2
529.23376	100.0
530.23584	13.5
585.18774	2.1
590.37909	2.3
758.57330	2.7
941.43457	2.4
986.65784	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1026.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
71.32158	17.0
100.89006	10.8
105.03497	14.9
109.02934	18.6
123.04507	17.4
125.02470	52.7
127.90296	13.4
128.50951	11.8
133.02956	45.8
135.04550	22.0
137.02422	60.1
149.02371	17.7
151.04041	27.1
161.02467	16.7
164.01135	13.5
165.02034	19.0
173.04570	21.1
177.02019	33.3
178.02769	27.1
179.03464	16.4
289.07516	17.0
491.24667	88.9
534.25104	17.3
684.19763	15.6
921.93585	13.1
1027.49390	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
78.27669	1.2
81.03495	1.2
83.01408	5.1
87.87312	1.3
89.03963	1.3
93.03474	1.8
95.01469	1.6
103.68658	1.2
105.60198	1.3
107.05069	1.8
108.02148	1.5
109.02950	11.8
117.03535	1.3
119.09554	1.2
121.03005	2.5
123.04556	11.5
123.26411	1.2
125.02462	100.0
125.32864	1.1
126.02802	2.4
131.05042	1.5
133.02945	7.6
135.04559	3.0
137.02451	13.4
139.03920	1.9
147.04529	3.2
148.04936	1.2
149.02460	4.8
150.03209	1.4
150.55602	1.1
151.04036	12.3
159.04501	3.7
161.02463	42.0
161.06152	1.9
162.03093	2.5
163.00400	5.1
163.04045	5.3
164.01216	6.1
165.01961	6.5
167.03519	1.9
173.06169	1.7
174.03169	2.1
175.04012	16.8
177.01965	18.0
177.05579	1.3
179.46217	1.2
185.06146	1.8
187.03999	3.6
188.04695	1.4
189.01917	3.9
191.03488	1.6
193.04872	1.5
194.00600	1.3
199.03990	6.1
201.01854	2.2
201.05530	2.0
203.03532	3.1
203.07191	3.0
205.01469	1.6
205.05038	2.6
209.05956	1.6
211.04004	3.4
213.05537	1.4
215.03601	1.6
217.05058	7.7
219.03087	3.5
225.05658	4.1
227.03499	5.1
227.07227	2.4
228.04114	2.5
229.05051	3.5
231.03030	2.3
239.03535	2.2
241.05148	3.6
242.02115	1.7
243.02979	25.2
243.06635	2.1
245.04515	14.4
245.08255	3.2
253.05038	2.9
255.02971	17.3
256.03766	3.9
257.04578	3.4
261.04095	3.9
267.03006	2.7
269.04510	9.2
273.04056	2.1
276.82013	1.2
281.04584	4.7
283.02530	4.9
285.04013	5.4
287.05612	25.1
288.02936	1.5
288.06165	1.7
289.07162	13.7
290.07718	1.5
297.04105	2.8
299.05481	2.6
311.05252	1.6
329.06943	1.7
339.08795	2.4
341.06628	3.7
341.75980	1.3
363.05048	1.7
373.03653	2.8
383.07764	2.3
389.06915	1.5
395.08032	2.0
405.05957	8.1
407.07758	38.8
408.08014	4.8
413.08844	3.9
423.07224	3.5
425.08917	3.1
433.09195	2.0
449.09036	6.7
451.11380	5.0
525.08441	4.1
526.08752	1.8
543.09344	2.6
559.12927	2.5
569.12103	6.8
575.13129	8.5
577.13855	1.7
585.11945	1.4
587.14142	8.8
613.15735	3.0
687.13593	2.8
695.14423	3.5
705.13934	3.1
713.15228	1.6
723.15533	2.4
737.16974	4.1
739.18268	9.7
749.17786	2.8
857.19672	8.2
858.18555	1.9
875.20331	4.2
901.22321	3.1
1027.23669	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
71.28505	2.4
75.90187	1.3
83.01389	7.9
93.03471	2.6
95.01418	2.0
95.05041	1.4
97.02943	3.2
101.91235	1.4
103.05507	1.5
108.02184	1.8
109.02959	19.5
115.05574	1.7
117.03496	2.2
121.02972	4.4
123.04522	13.2
125.02454	100.0
126.02773	3.0
131.04991	3.1
133.02988	10.5
135.04503	3.6
137.02484	12.8
139.04030	3.1
145.02968	2.1
147.04553	3.4
149.02446	5.6
151.04019	16.1
159.04555	8.6
160.01633	5.0
161.02457	37.7
161.06125	4.1
162.03088	2.0
163.00346	3.7
163.04036	7.7
164.01158	6.7
165.01932	4.5
171.04546	2.1
173.02357	2.2
173.06076	2.0
174.03200	3.2
175.04013	22.4
177.01942	16.4
177.05617	2.4
179.03499	4.4
183.04471	4.8
185.02441	4.4
185.06071	1.5
187.03986	9.6
188.04744	2.6
189.15782	1.4
190.02661	2.2
196.05362	1.5
197.06082	3.4
199.03999	9.4
200.04724	1.8
201.01910	3.9
201.05594	7.4
203.03546	7.0
203.07156	5.8
205.01425	2.0
205.05089	4.3
209.06018	1.8
211.04128	1.6
212.04739	1.5
213.05586	3.3
214.02792	2.1
215.03465	2.9
217.05099	7.9
219.02931	5.3
219.06587	2.0
224.04819	1.6
225.05569	11.1
227.03522	6.0
228.04007	2.1
229.05125	5.5
231.03027	2.3
239.03564	2.0
241.05040	5.5
243.03017	22.9
243.06651	2.3
245.04594	18.0
245.08142	5.7
253.05098	3.4
255.03024	13.7
256.03702	3.6
257.04480	4.4
261.04028	6.2
267.02975	2.0
268.03812	2.4
269.04578	33.8
270.04962	2.9
279.02777	1.9
281.04492	7.2
283.02536	2.2
285.04108	4.4
287.05621	25.7
288.05887	2.1
289.07199	20.3
293.04358	2.3
297.04068	4.5
309.04001	2.5
319.06088	2.5
323.08063	2.3
337.07266	2.4
339.08557	2.0
341.06732	1.9
361.07269	2.7
363.05005	3.6
365.49716	1.5
387.05054	9.3
388.05704	1.8
405.06146	5.1
407.07721	35.1
408.07867	2.5
409.09204	1.7
413.08923	6.4
425.08560	7.5
431.07697	6.6
433.09308	4.6
435.07016	1.7
437.08655	1.9
449.10260	22.2
451.10663	2.7
525.08453	3.1
541.12024	1.9
557.10956	5.3
559.12738	2.9
567.11066	5.6
568.11310	1.9
569.11871	2.9
575.11700	4.1
585.12610	10.5
587.13336	4.6
611.13928	10.5
613.15570	2.4
659.11639	1.9
677.12927	5.2
695.14130	3.1
737.17212	16.2
738.17987	2.7
739.18945	18.8
740.18420	2.3
857.19421	10.0
899.20422	2.0
901.21381	6.0
983.04962	1.9
1027.25464	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31583	2.0
83.01404	7.8
93.03480	2.6
95.01430	1.8
95.05053	1.4
96.04036	1.2
97.02946	3.3
105.03414	1.1
107.05044	2.5
108.02153	1.4
108.18314	1.0
109.02953	16.8
115.20129	1.2
117.03472	1.5
120.72433	1.6
121.02970	5.1
122.03753	1.5
123.00901	1.4
123.04546	15.6
125.02459	100.0
126.02803	1.7
133.02962	7.2
135.04523	3.3
137.02448	21.6
139.04021	2.6
145.02917	1.9
147.04514	3.7
149.02448	8.9
150.03262	1.7
151.04027	13.5
159.04523	4.2
161.02467	29.4
161.06099	4.3
162.03198	5.1
163.00360	2.8
163.04012	5.3
164.01161	5.9
165.01907	7.1
167.03488	4.6
171.04453	1.7
173.02350	1.4
173.06082	2.2
174.03189	1.6
175.04015	20.7
176.01089	1.8
176.04655	1.4
177.01920	14.5
177.05545	1.5
179.03482	5.3
185.06027	2.4
187.04001	8.7
188.04732	1.9
189.01978	3.3
189.05592	2.3
190.02708	2.1
191.03534	1.7
199.03952	6.8
201.01933	2.4
201.05588	4.7
203.03580	5.8
203.07088	5.6
205.01447	1.9
205.05098	6.1
211.03970	4.2
212.04683	2.0
213.05516	3.2
214.02757	2.3
215.03551	3.3
217.05127	7.8
219.02997	1.9
219.06656	1.4
225.05496	3.4
227.03477	4.2
227.07132	2.1
228.04213	2.2
229.04979	5.2
231.02960	2.8
239.03644	1.3
241.05074	5.2
243.02997	24.2
243.06622	2.1
244.03448	1.8
245.04610	8.8
245.08170	8.6
247.06154	1.8
253.05089	3.2
255.02979	16.2
256.03699	6.5
257.04507	3.4
261.04092	3.4
269.04559	9.2
271.05942	1.5
273.04056	3.6
280.03625	1.5
281.04718	5.6
282.01657	2.3
283.02469	4.8
284.03619	2.3
285.04196	6.9
286.04764	1.5
287.05640	36.5
288.05920	2.4
289.03903	1.6
289.07187	32.9
290.07327	1.5
297.04089	7.6
297.07184	1.5
298.04800	1.6
299.05466	2.8
309.04041	1.3
325.03452	1.7
326.04385	1.7
327.05130	3.6
331.08105	2.2
339.08826	2.2
341.06644	2.2
381.09921	2.8
387.05014	2.6
393.82617	1.2
395.07330	1.4
405.05917	8.2
407.07727	47.0
408.08066	1.6
409.09467	1.3
413.08899	2.0
423.07190	2.4
425.08826	10.0
431.07574	3.3
449.08783	34.3
450.09204	3.3
451.12204	1.8
473.08359	1.4
525.08600	2.1
543.09528	1.6
569.12390	4.9
575.11578	4.8
587.13000	5.5
601.16223	1.5
611.14282	7.1
612.14465	2.0
634.43744	1.3
677.12750	2.3
695.15021	4.8
705.13995	2.2
737.17310	27.9
738.17126	4.5
739.18927	7.1
749.17603	6.1
857.19397	7.3
875.20227	3.6
901.21948	19.1
902.22028	2.8
1027.24695	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
71.09927	0.8
81.03461	1.2
83.01397	5.6
83.65028	0.7
89.03964	0.8
93.03453	2.1
95.05022	1.3
97.02992	0.9
105.03492	1.0
107.05040	1.5
108.02168	1.1
109.02956	9.2
117.03513	1.9
119.05025	0.8
121.02968	2.7
122.03802	0.7
123.04541	7.7
125.02457	100.0
126.02776	3.4
131.05019	1.5
133.02971	8.2
135.04510	2.3
137.02457	25.8
139.04037	1.5
141.02104	0.7
143.04970	0.6
145.02989	2.1
147.04504	1.4
149.02414	4.2
150.03239	1.9
151.04018	15.1
158.03796	0.6
159.04529	3.8
161.02454	37.6
161.06082	1.7
162.03009	2.3
163.00349	2.6
163.04007	4.7
164.01166	6.1
165.01938	6.0
167.03574	1.7
171.04680	0.7
173.06020	1.6
174.03214	1.1
175.04005	16.0
176.01151	1.2
176.04369	0.9
177.01953	10.5
177.05556	1.7
179.03438	1.2
183.04532	0.9
185.06055	1.1
187.04033	4.2
188.04590	0.8
189.01967	3.3
191.03488	2.1
193.05057	0.9
197.06046	0.8
199.04010	5.5
201.01933	1.5
201.05577	1.5
203.03542	3.1
203.07202	2.2
205.01640	0.9
205.05063	2.8
211.04080	2.6
212.10860	0.7
213.05511	1.5
214.02649	1.4
215.07176	0.7
217.01390	0.9
217.05052	7.7
219.03015	2.3
219.06467	0.9
225.05515	1.4
227.03542	2.7
228.04288	1.8
229.05087	3.1
231.02975	1.1
240.04155	0.9
241.05139	1.9
243.02988	25.4
243.06644	1.2
244.03477	1.7
245.04578	11.0
245.08234	2.8
246.04893	1.4
253.05000	1.1
255.02971	13.6
256.03674	4.4
257.04532	2.2
261.04053	4.2
267.03055	1.1
269.04572	4.8
270.05316	1.0
271.06161	2.1
273.04083	1.5
281.04556	2.9
282.01794	1.7
283.02536	2.8
284.03302	0.8
285.04034	4.4
287.05615	26.5
288.05942	1.8
289.07181	11.4
290.07840	0.9
297.04175	1.0
297.07574	0.7
298.04770	1.2
299.05756	1.0
327.05054	1.1
329.06799	1.4
339.08746	1.3
341.06799	1.7
373.03485	0.9
381.10092	0.8
383.07748	0.9
387.05124	0.9
389.06641	1.7
395.07916	1.1
405.05963	5.8
407.07718	18.1
408.08151	2.3
412.99857	0.8
413.08850	4.6
423.07193	3.8
449.08759	7.2
451.12491	9.9
452.13107	1.3
525.08325	3.0
543.09308	0.8
559.12726	2.6
569.12848	8.8
570.13019	1.4
575.11877	4.8
577.13873	1.3
587.14075	6.8
588.14185	0.9
613.15863	5.5
677.13983	1.2
687.13763	2.0
695.14612	0.9
705.15167	1.8
739.18591	10.5
740.19000	2.0
749.17267	2.8
857.19446	6.4
868.15942	0.8
875.20660	2.4
901.21600	2.2
1027.26086	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	2.6
73.02940	0.5
79.76373	0.3
81.03465	1.6
83.05037	1.6
85.02956	14.2
87.00439	0.4
87.00884	5.4
93.03462	17.8
94.03777	0.9
95.01424	0.4
98.21992	1.4
99.00872	0.4
99.04522	0.9
101.02441	0.8
105.03436	0.7
108.02173	1.2
109.02951	2.8
111.00867	0.4
111.04521	2.4
113.02457	0.5
119.09798	0.3
121.02968	0.8
123.04565	0.4
125.02438	0.9
127.04025	3.3
133.02983	2.7
134.03773	1.7
135.04546	2.2
136.01672	1.0
137.02461	22.8
138.02786	0.7
148.05246	0.4
155.03494	1.0
159.04503	2.6
161.02431	0.3
163.11276	0.7
165.02023	0.4
165.12827	0.4
171.03055	0.8
172.05327	0.5
173.04582	4.7
173.06033	0.7
174.03255	0.7
174.06822	0.9
175.04086	0.6
176.04823	0.6
177.01936	1.4
178.02660	0.5
179.03467	0.5
187.04045	4.8
187.07625	1.4
188.04810	2.0
191.05620	100.0
192.05975	3.5
196.37912	0.3
197.06110	1.4
197.15489	0.4
198.06795	0.8
198.75583	0.4
201.05426	0.5
202.06378	0.9
207.14067	0.5
209.11845	9.7
210.12096	0.5
211.13432	1.3
225.14957	6.5
227.12935	1.2
251.12958	0.9
252.84079	0.3
253.09193	0.7
257.15521	1.0
281.15414	0.4
283.13492	1.0
283.16931	0.6
289.07458	0.3
297.15042	0.5
299.16562	4.8
301.58484	0.3
309.14984	4.2
310.15228	0.4
317.17624	1.1
325.14706	0.7
327.16046	12.2
328.16473	1.2
345.17194	1.8
353.13989	0.9
449.14746	1.4
450.14981	0.6
451.15253	0.4
459.63785	0.3
467.15521	0.5
557.52655	0.5
563.25342	0.6
581.26190	1.5
694.06689	0.4
713.29175	0.4
715.35559	2.3
765.37952	0.4
773.37457	1.8
774.38452	0.5
791.38617	5.6
792.38892	1.2
809.38953	0.4
817.36554	5.3
818.37756	0.9
833.34186	0.4
835.37280	4.2
836.37537	1.0
853.38452	0.9
889.40741	15.0
890.41602	2.8
1009.42920	2.3
1010.42981	0.9
1023.36877	0.4
1027.23071	0.7
1027.43994	11.3
1028.43652	3.0
1057.07275	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.216
Annotation	Unknow
Peak:m/z	Relative Intensity
107.01447	1.2
108.02174	1.0
109.02943	0.8
125.02480	1.7
145.02985	0.8
145.14940	0.7
151.00357	3.4
164.00990	0.7
178.99907	2.7
187.04091	0.8
187.07639	1.8
191.05637	4.0
213.09332	0.8
227.03519	2.0
229.08653	0.9
231.10236	2.0
243.02934	7.8
254.02173	1.5
255.03000	19.7
256.03290	1.2
257.08383	1.3
271.02505	43.8
272.02957	4.3
275.09271	4.5
284.03259	1.0
299.01904	2.1
300.02774	87.8
301.03308	12.4
449.14569	2.8
461.07318	0.7
463.08820	7.4
565.12018	100.0
566.12439	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99296	1.2
73.02937	1.0
83.01382	1.5
85.02959	3.1
87.00864	0.9
89.02451	14.7
95.01385	1.5
101.02441	9.9
107.01388	1.7
109.02931	2.5
113.02470	6.0
119.03506	7.0
124.05336	0.8
125.02415	0.8
131.03485	0.7
132.02228	0.8
133.06633	4.9
137.06081	1.6
139.07663	4.5
143.03523	0.8
149.06038	1.7
151.00372	2.0
161.04587	2.2
163.00406	1.0
169.08669	0.7
179.05643	1.7
183.04485	1.1
195.32874	0.7
205.12318	1.4
211.04016	1.8
217.12294	1.6
223.11626	0.6
227.03511	37.5
228.03935	2.3
229.05122	1.3
235.13516	0.9
239.03548	0.7
255.02997	69.1
256.03589	6.1
257.04605	1.0
283.02441	0.9
284.03281	88.2
285.03940	14.8
327.04916	0.7
330.13202	8.1
331.13916	6.1
397.18875	1.6
429.08044	0.9
441.17682	89.9
442.18008	7.8
593.15167	100.0
594.15509	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
73.79326	28.8
90.03803	27.0
98.22544	60.7
153.55765	27.0
156.33562	26.8
349.76617	34.3
522.44946	34.2
529.23657	100.0
785.06177	32.8
878.95215	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02918	0.3
76.00401	0.3
79.95706	0.9
80.02637	0.3
80.96536	2.2
81.03419	0.8
83.05035	2.0
84.02171	0.4
85.02953	6.2
87.00880	2.0
89.02413	0.9
93.03470	5.8
94.98022	0.5
95.01334	0.5
101.02405	1.3
109.02915	1.4
111.04527	2.1
113.02432	0.5
113.10673	0.6
125.02459	3.0
127.03961	1.6
130.04187	0.6
133.02927	1.1
134.03758	0.7
135.04500	0.6
137.02466	1.7
144.05853	0.4
145.06625	0.4
146.03706	0.9
147.04486	0.4
151.03978	0.5
155.03545	1.7
158.03688	1.2
158.07364	0.4
159.03424	0.4
159.04556	5.1
160.05327	3.4
161.02432	1.1
163.03922	0.4
163.11272	1.0
164.98694	0.4
165.01880	0.6
165.12819	0.6
171.02995	0.6
171.04550	0.4
172.05324	12.2
173.04529	3.3
173.06021	5.0
174.06772	0.8
175.04013	0.5
175.07492	0.4
177.01982	0.5
178.02461	0.4
183.04411	0.7
184.05373	0.4
185.06097	2.5
186.06860	2.0
187.04027	5.6
187.07628	0.8
189.30301	0.3
191.05627	32.8
192.05986	0.9
196.05331	0.4
197.06125	0.8
199.04053	2.2
199.07622	0.5
200.04697	1.7
201.05588	3.2
202.06371	7.4
203.06874	0.7
204.04291	4.3
209.09848	0.8
209.11827	10.7
211.04004	0.5
211.07729	0.5
213.05598	0.6
214.90495	0.3
225.00722	1.2
226.06389	0.5
227.03493	5.7
227.07039	0.5
227.10841	0.9
228.04321	1.8
232.03690	1.0
239.14371	1.6
241.12372	0.7
255.03053	0.5
255.13861	1.5
257.15408	1.5
265.12454	0.6
271.13516	0.4
283.13416	100.0
284.13718	6.9
285.14957	1.3
289.07101	0.8
299.16629	1.6
301.14484	17.1
302.14966	1.7
308.24808	0.4
309.14999	6.6
310.15506	0.7
311.12955	5.4
312.13474	0.5
325.14456	0.6
327.12387	8.2
327.16095	18.9
328.12634	0.9
328.16458	1.1
329.14008	1.7
344.16187	0.4
345.13345	1.5
345.17136	4.4
353.13910	4.3
371.15189	1.8
512.82257	0.4
537.23511	2.2
563.24896	0.5
581.26251	7.0
582.26581	1.0
607.24396	1.6
625.25293	1.1
747.35938	1.9
748.37268	0.7
773.36609	1.9
774.35321	0.5
775.35986	1.0
791.38306	23.3
792.39117	3.6
817.36517	12.4
818.36963	1.5
835.37671	43.2
836.37854	8.2
849.39447	1.3
850.39563	0.7
867.40063	9.1
868.40875	1.4
903.37769	0.6
1009.42969	11.8
1010.43463	2.8
1041.45447	21.0
1042.45435	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03447	0.9
83.01398	0.6
83.05009	2.4
85.02956	6.9
87.00880	1.5
89.02436	1.0
93.03464	5.7
101.02483	0.8
109.02960	1.1
111.04522	2.4
113.02431	0.8
123.04595	0.6
125.02458	2.8
127.04002	1.4
129.02034	0.5
130.04266	1.1
133.02992	2.8
134.03796	0.8
135.04491	1.0
137.02429	1.5
146.03775	1.2
147.04469	0.6
151.04004	1.0
155.03511	2.1
158.03752	1.3
159.04518	4.0
160.05301	3.9
161.02516	0.7
163.11354	0.8
165.12802	0.7
172.05316	12.5
173.04541	2.7
173.06038	5.4
174.03043	0.6
174.06873	1.1
175.04004	0.6
177.01965	1.7
178.12894	0.5
183.04445	0.6
185.06052	2.7
186.06851	1.9
187.04004	6.3
187.07495	0.7
191.05614	30.6
192.05983	0.7
197.06096	1.1
199.03998	2.7
200.04784	2.1
201.05565	3.3
202.06378	6.2
204.04277	5.1
205.04573	0.5
209.11835	11.4
213.05643	0.6
227.03583	3.6
228.04243	1.9
232.03792	0.8
239.14368	1.1
241.12323	0.6
255.13870	1.8
257.15555	1.2
265.12604	0.6
281.15378	0.5
283.13409	100.0
284.13809	7.2
285.15158	1.2
289.07336	0.8
297.15085	0.9
299.16516	1.9
301.14478	16.9
302.14819	1.2
309.14999	11.4
310.15320	1.2
311.12991	5.8
327.12372	7.1
327.16058	22.8
328.12772	1.0
328.16354	2.1
329.13947	1.6
345.13422	1.0
345.17059	5.7
353.13968	5.5
371.15204	2.4
537.23346	3.2
563.24774	1.4
581.26282	9.1
582.26624	1.0
607.23853	1.7
625.25256	1.3
736.44025	0.6
747.36169	3.0
773.37012	3.8
775.35822	0.8
791.38269	23.5
792.39124	3.9
817.22449	0.9
817.36688	12.4
818.36975	2.2
835.37683	40.3
836.37830	7.1
849.38702	2.5
867.40295	10.1
868.39514	1.5
1009.42755	9.1
1010.43414	1.9
1041.45532	15.3
1042.45850	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.231
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01387	1.0
85.02945	1.0
89.61345	0.5
92.09992	0.7
93.03433	1.4
107.01392	2.3
108.02189	0.7
109.02953	1.4
121.02982	1.3
135.00842	0.6
148.01669	0.8
149.02441	0.5
151.00366	8.2
158.03658	0.6
163.00337	1.2
173.04601	0.6
177.01933	0.8
178.99854	3.8
191.05618	8.4
199.03874	0.6
211.03979	1.0
213.09154	0.5
227.03537	5.0
228.03957	1.0
243.03004	8.0
245.04611	0.6
254.02266	2.3
255.02994	24.3
256.03442	2.2
257.08148	1.2
271.02484	41.3
272.02966	3.0
273.04041	0.8
275.09335	0.6
283.02594	1.4
284.03250	7.2
285.03955	1.9
299.02023	1.2
300.02765	78.1
301.03488	36.9
302.03854	1.9
424.36792	0.7
449.14520	1.5
454.82001	0.6
463.08856	100.0
464.09171	11.7
579.13544	6.6
580.14038	0.9
593.15204	1.3
726.96991	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03458	0.5
83.01399	1.5
84.49231	0.4
85.02956	1.1
85.91924	0.4
87.00864	0.9
87.04497	0.5
93.03462	0.7
95.01478	0.6
99.00934	0.4
100.69599	0.4
101.02466	0.7
107.01398	3.2
107.31959	0.4
109.02940	0.4
115.04022	0.5
117.03463	2.9
121.02961	1.1
123.04572	0.5
124.01657	1.5
125.02457	7.0
131.03537	1.0
131.04958	0.4
133.02933	0.4
135.04488	0.7
136.01718	0.8
137.02417	0.8
143.03551	2.3
143.04712	0.4
149.02469	0.9
151.00389	10.4
151.04025	1.2
152.01173	4.8
155.04958	0.5
159.04489	1.2
161.02440	0.4
165.01923	2.8
169.06572	1.0
171.04572	0.7
172.05354	0.5
173.06081	1.3
177.05576	0.5
178.99864	3.9
180.05786	0.6
181.06589	0.9
182.03787	0.5
183.04523	0.5
191.05702	0.4
196.05368	0.7
197.06085	1.7
199.04041	0.5
199.07614	0.8
201.05542	1.4
215.07164	1.2
225.05589	3.1
227.03510	13.3
228.03925	1.0
229.04900	0.4
241.05191	0.6
243.06604	1.4
255.02995	15.2
256.03589	2.3
259.03317	0.6
259.06104	11.6
259.08682	0.8
260.06494	0.6
269.04559	100.0
270.04861	6.8
284.03284	16.8
285.04022	4.9
286.04465	0.6
287.02518	0.5
287.05637	13.3
288.06137	0.6
315.01508	0.4
329.13983	1.4
413.08789	0.9
447.09360	27.6
448.09570	2.3
577.15656	42.7
578.16028	5.6
593.15790	0.6
595.16833	6.0
596.16711	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03490	4.1
83.01379	4.4
93.03459	4.1
109.02967	18.4
115.11622	2.8
121.02965	8.4
123.04555	16.0
125.02460	86.4
126.02774	3.2
137.02444	14.7
139.03990	4.3
149.02441	10.2
151.04013	16.6
159.04541	4.3
163.04037	5.2
164.01114	3.1
165.01936	4.9
167.03448	3.8
175.03995	13.5
177.01949	100.0
178.02370	5.0
179.03566	4.7
187.04092	9.5
188.04842	4.4
191.03554	4.6
201.05479	3.8
203.07143	8.0
205.05107	7.8
215.03561	4.2
221.08191	2.8
229.05206	6.1
243.03015	6.2
245.08264	14.2
255.03012	17.5
256.03796	10.4
273.04059	9.2
281.04562	7.0
283.02557	5.2
285.03995	7.9
289.07187	49.3
303.05072	12.8
378.61685	3.5
407.02496	6.4
407.07751	96.0
408.07886	11.7
425.02924	5.0
425.08804	98.1
426.09250	10.1
467.09882	12.4
490.32516	3.1
553.31879	4.0
593.12982	46.3
594.13312	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.6754
Annotation	Unknow
Peak:m/z	Relative Intensity
80.03296	0.9
97.06625	2.3
98.22572	1.5
99.04521	9.9
139.76894	0.8
161.14896	0.9
187.90883	0.9
310.32547	1.0
338.97665	0.8
343.95459	0.9
355.68692	0.8
367.30121	1.4
369.27838	1.1
375.27103	1.1
391.30301	2.3
451.32184	71.2
452.32626	9.4
511.34372	15.7
512.34637	1.6
953.79370	0.9
985.65894	2.5
986.65033	1.1
1045.67627	100.0
1046.67847	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
78.88775	6.2
85.02962	9.1
87.00877	10.6
98.22533	11.4
104.03280	6.9
105.46934	5.7
125.02469	28.7
135.04550	18.6
137.02460	8.1
139.07671	11.1
173.04570	7.1
179.03491	14.8
191.05618	24.5
209.11934	7.5
289.07162	9.9
348.11411	7.2
353.08676	14.5
353.12781	7.0
545.22522	100.0
546.23505	14.4
957.21997	8.2
1055.45715	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
74.98341	0.3
79.89523	0.3
83.01402	0.8
91.01902	0.4
92.09989	0.4
107.01398	2.6
108.02179	0.9
109.02962	0.9
121.02944	1.3
125.02454	0.5
135.00916	0.6
148.01706	1.0
150.86099	0.3
151.00388	8.6
161.02438	0.5
163.00421	2.1
164.01186	0.6
168.77150	0.4
169.01421	0.3
171.04482	0.4
178.99902	3.6
183.04497	0.7
185.05869	0.3
187.03996	0.8
192.00595	0.4
199.03932	0.7
211.04076	0.9
215.03464	0.8
216.04305	0.4
226.02733	1.1
227.03516	5.4
228.03764	0.6
229.04976	0.9
243.02986	7.9
244.03574	0.5
245.04518	1.0
254.02107	1.7
255.03000	27.5
256.03580	2.2
271.02505	46.5
272.02866	4.1
273.04047	1.2
283.02472	0.9
284.03299	7.0
285.03964	2.5
299.01929	1.3
300.02774	83.5
301.03485	31.8
301.07178	0.5
302.03946	2.1
463.08881	100.0
464.09171	8.6
593.15173	10.7
594.15955	1.5
609.27856	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03456	1.7
83.05042	1.8
85.02956	14.3
87.00883	5.0
89.02433	0.6
92.16177	0.3
93.03467	17.0
98.22065	0.3
99.04517	0.8
101.02457	0.8
108.02184	1.4
109.02974	3.5
111.04543	3.1
113.02482	0.4
121.02986	0.7
122.03738	0.5
123.04524	0.6
125.02443	1.0
127.04028	3.4
127.93117	0.3
129.01884	0.4
133.02939	1.1
134.03746	1.2
135.04517	1.8
136.01651	1.0
136.60614	0.3
137.02460	23.5
138.02794	0.4
143.05022	0.3
145.10216	0.3
146.03738	0.6
155.03520	1.5
159.04535	3.6
161.02470	0.5
161.04576	0.3
163.11282	0.4
171.02966	1.3
171.04382	0.6
172.05325	0.4
173.02461	0.3
173.04556	3.8
173.06059	0.9
174.03206	0.8
174.06857	1.2
174.08308	0.3
175.04010	0.8
176.04823	0.6
177.01947	0.7
179.03416	0.3
187.04025	5.1
187.07669	1.0
188.04805	3.0
191.05624	100.0
192.06017	2.8
197.06122	1.4
197.15546	0.4
198.06810	0.9
200.04738	0.3
201.05569	0.5
202.06340	1.0
207.13930	0.5
209.11848	11.4
210.12213	0.6
211.13414	0.8
225.14986	6.1
227.12920	1.0
248.13678	0.3
251.12895	0.6
253.09291	1.0
281.15469	0.3
283.13501	1.1
283.17053	0.5
289.07278	0.4
297.15128	0.3
299.16519	5.3
300.16806	0.4
309.14972	4.9
310.15335	0.4
317.17566	1.0
326.69272	0.4
327.16034	13.6
328.16327	1.2
345.17017	2.2
353.13992	1.2
371.15353	0.3
451.15335	0.3
551.27686	0.4
563.25171	0.6
581.25964	1.5
582.26013	0.3
607.23993	0.4
625.18732	0.3
715.35571	2.6
716.35394	0.5
747.38232	1.1
773.37616	2.7
774.37921	0.6
791.38605	9.1
792.38556	1.5
817.36591	3.1
818.37946	0.6
835.37823	1.1
849.38263	1.5
853.38141	0.6
867.39471	0.5
889.40796	5.2
890.41486	0.9
921.43536	13.5
922.43787	2.6
991.41626	0.5
1009.43799	1.0
1027.43726	6.5
1028.44495	1.2
1041.45764	2.4
1059.46777	14.0
1060.47461	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.6014
Annotation	Unknow
Peak:m/z	Relative Intensity
91.94063	7.6
140.06831	7.5
223.17531	8.5
223.83456	8.9
425.34393	10.4
440.86548	9.4
469.33554	75.1
515.24658	100.0
516.25366	9.7
559.23346	19.5
898.27271	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.5234
Annotation	Unknow
Peak:m/z	Relative Intensity
75.56666	30.6
79.65484	22.7
108.32398	23.6
121.02969	28.6
125.02470	94.2
137.02498	40.2
151.04047	31.9
189.20717	22.5
209.11784	29.1
289.07187	62.9
296.65009	41.6
309.46701	24.0
459.89859	24.6
509.25696	40.3
518.87982	25.8
552.25867	100.0
621.54895	28.1
704.76855	24.6
738.20221	26.1
770.23840	26.6
779.01630	41.5
807.21545	27.4
841.19324	31.5
1062.49866	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1066.5539
Annotation	Unknow
Peak:m/z	Relative Intensity
73.89203	32.3
88.05514	39.8
90.85178	35.5
125.02464	100.0
127.09698	35.7
141.49217	30.8
159.28342	32.0
176.68927	39.4
187.05908	37.6
205.84668	40.8
404.31714	41.7
457.81494	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
98.21743	2.7
103.05366	0.9
107.01408	1.4
125.02448	0.8
136.01694	1.6
151.00386	3.8
151.03951	2.0
159.24287	0.9
183.04622	1.2
199.04036	2.7
215.03572	1.2
227.03555	13.2
229.08331	1.2
242.02281	1.0
243.02974	13.6
255.03020	16.0
256.03598	2.1
257.04587	1.4
267.36481	0.9
270.01819	1.9
271.02460	18.5
272.03046	1.9
284.03214	9.2
285.04019	6.4
286.04694	1.8
287.05637	1.3
299.02005	26.5
300.02756	13.8
301.03241	1.1
314.04361	32.7
315.05099	25.6
316.05484	2.0
329.13895	2.1
447.09387	14.7
623.16223	100.0
624.16608	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
74.29548	2.0
75.07257	1.7
83.01424	1.8
85.02941	9.4
87.00867	7.7
89.02452	88.1
95.01360	3.3
101.02451	39.9
107.05035	1.7
108.02178	4.5
109.02999	2.9
113.02457	30.8
119.03502	40.1
123.00937	2.1
123.04513	2.1
125.02448	2.1
131.03490	5.9
131.97438	1.7
136.01657	18.6
137.02449	1.9
143.03519	12.8
149.04532	5.0
151.04013	16.2
159.04504	5.0
160.05302	6.2
161.02356	2.1
161.04602	14.8
161.05812	2.6
166.02614	2.4
174.03099	2.0
175.03967	3.1
175.07678	3.1
179.05614	57.8
179.07198	3.1
181.05034	5.8
187.04025	6.4
188.04764	7.7
189.05533	2.6
193.05025	3.2
203.07127	5.6
209.06108	2.6
221.06158	3.2
227.07184	3.4
233.06020	2.3
236.04938	1.9
237.05553	16.3
249.05597	14.5
250.06360	8.2
251.07104	2.2
252.07909	6.5
254.05807	2.4
260.17679	2.5
261.05582	3.0
262.06418	2.4
263.07208	2.5
264.04361	1.8
264.05206	2.2
264.07950	19.0
265.05051	20.4
265.08545	6.7
266.05838	1.9
267.06772	2.4
269.08209	1.9
276.07950	2.2
277.05151	5.6
279.06668	5.0
280.07419	28.0
281.07996	5.8
289.07382	2.2
290.51157	1.7
292.07349	4.9
294.09033	4.5
295.06519	2.2
295.09714	27.4
296.10376	3.0
307.09744	7.2
309.07516	2.0
309.48315	2.0
310.08490	6.9
322.08301	2.7
324.09714	1.8
325.10901	12.4
337.10577	2.1
343.11884	3.6
355.11890	100.0
356.12219	8.2
373.13000	9.3
535.18262	22.7
536.18115	1.9
692.30524	1.9
1021.35388	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	108.0219
Annotation	2-Oxylatophenol
Peak:m/z	Relative Intensity
57.67665	2.6
71.27109	2.6
80.02670	5.7
81.03443	3.3
108.02187	100.0
108.04578	16.1
109.02999	39.2
111.23704	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05035	2.4
89.63829	1.7
97.02947	2.5
98.87045	1.9
103.15532	1.9
113.02474	4.6
119.12890	1.4
125.02454	20.8
127.04025	3.1
135.04507	2.1
137.06096	2.3
141.69307	1.8
141.70332	1.6
151.03941	1.8
175.04230	1.6
258.74692	1.9
369.17426	2.0
377.21182	3.2
383.23416	1.7
393.20804	3.1
399.22021	3.4
411.21759	2.8
427.21729	2.4
507.23706	4.5
525.25012	28.9
526.25476	3.5
539.34039	1.6
561.22607	100.0
562.22766	13.2
791.71924	2.3
1028.64172	1.9
1051.82874	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
91.12379	0.4
93.03461	0.6
97.11542	0.6
98.21760	0.6
104.71572	0.4
107.01390	0.8
119.87209	0.4
126.32417	0.4
127.25996	0.5
132.02179	0.5
135.00838	0.7
142.08600	0.4
151.00389	2.3
163.00394	1.0
164.01202	0.4
178.99828	1.5
183.04546	0.8
185.02499	0.4
187.03983	0.8
200.86717	0.4
211.04013	1.0
227.03513	33.3
228.03929	1.5
229.05070	1.4
239.03482	0.7
255.02992	57.4
256.03577	6.0
257.04581	1.3
283.02426	0.6
284.03275	90.9
285.03894	14.9
286.04407	0.7
342.52612	0.4
381.27570	0.5
399.07321	1.1
417.08118	1.0
418.08539	0.6
424.01532	0.5
563.14081	100.0
564.14435	11.4
743.32874	0.5
1072.07495	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
81.02933	1.4
81.03468	6.2
83.05029	5.6
85.06587	5.1
95.05038	3.8
95.23698	1.7
97.02982	1.8
99.04483	1.6
107.05051	4.0
109.02946	1.9
109.06623	2.3
111.04547	16.4
111.08167	21.4
113.02453	2.2
116.41428	1.7
121.06604	5.6
122.03745	2.0
123.04550	7.2
123.08202	4.0
125.02469	2.0
129.05595	100.0
130.05911	1.9
131.08673	5.6
133.06621	1.9
133.10321	2.1
135.04553	2.9
137.06071	6.8
140.58586	1.9
147.04530	3.9
147.08232	4.4
149.06085	4.5
149.09738	4.4
150.03185	1.8
151.07587	2.3
155.07158	15.3
163.07593	3.1
165.09280	5.2
173.06114	2.1
175.11253	3.4
177.01952	2.0
187.11284	2.3
189.09219	11.4
191.10806	4.4
193.08725	5.2
211.14560	1.9
217.12361	6.6
227.10922	3.4
229.12346	8.5
231.10205	2.7
231.13875	2.4
237.09148	2.8
237.11391	3.3
251.10670	3.5
253.12416	3.0
271.13351	5.0
276.11716	3.0
277.12207	10.9
279.09943	2.4
279.12555	3.1
295.13464	27.8
313.14429	8.3
313.17664	2.4
321.14926	2.6
326.11432	3.7
339.12323	2.0
349.18634	1.9
355.19208	2.2
361.03781	2.1
389.21201	11.4
392.52444	2.0
407.22430	9.1
427.21176	3.6
433.20236	9.2
435.18207	3.3
451.21246	85.6
452.21567	10.2
453.19492	2.1
469.22256	11.7
471.20166	5.8
477.19135	2.0
485.21786	2.2
487.23346	5.3
489.21353	3.6
495.20294	41.2
496.20392	2.4
513.21283	65.0
514.21484	8.2
531.22357	47.0
532.22437	4.5
549.23486	52.5
549.31873	2.5
550.23676	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0089
Annotation	2-Furoate
Peak:m/z	Relative Intensity
51.18777	1.5
53.58501	1.6
55.01879	2.2
67.01895	79.7
68.02215	2.3
68.06534	1.5
70.70225	3.5
78.95908	17.8
81.03469	9.2
83.01393	4.5
83.05035	13.6
93.03474	13.2
95.77757	1.6
100.30530	1.7
111.00892	100.0
111.04527	6.1
112.01212	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0453
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
53.00301	1.1
55.01868	3.6
62.49824	0.7
65.03963	2.8
67.01897	81.1
67.81631	0.9
68.02220	2.3
69.03449	1.7
69.36649	3.0
71.01363	1.0
78.95909	22.8
79.95761	0.8
81.03461	17.3
83.01388	3.0
83.05033	26.3
85.02950	1.4
93.03468	20.0
98.22493	1.5
109.02946	1.1
110.97603	1.6
111.00890	100.0
111.04535	11.5
112.01240	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0453
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
53.00318	0.9
55.01883	13.8
57.03442	2.3
59.01390	0.9
65.03969	8.6
67.01893	65.0
68.02238	2.0
69.03459	6.9
70.21799	2.0
71.01380	3.2
77.67860	0.9
78.95909	23.2
81.03463	63.0
82.03811	1.0
83.01400	12.1
83.05031	100.0
84.05372	2.4
85.02958	1.7
93.03462	71.0
94.03816	3.3
95.01389	2.2
96.02210	0.9
108.02196	0.9
109.02950	5.5
110.97595	1.4
111.00891	90.5
111.04527	40.9
112.01238	3.5
112.04892	2.0
116.71857	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
87.00853	3.2
93.03458	3.9
95.05054	9.5
97.02963	27.1
97.06616	5.1
107.05056	6.1
109.02964	3.8
109.06611	8.5
117.86447	3.5
121.06607	5.1
122.03756	12.3
123.04548	8.5
125.02451	7.9
135.04520	4.6
137.02481	9.1
137.06093	95.0
149.30618	2.6
153.05528	4.3
155.88910	3.0
157.06673	2.9
161.02455	6.0
163.11349	6.2
165.05614	3.5
167.03566	3.0
175.04079	3.6
177.09137	3.5
181.05028	7.2
198.07002	3.4
201.05666	5.7
203.07297	4.1
213.09360	4.2
215.10594	3.8
241.08829	3.9
247.09743	5.6
259.09805	5.8
267.13934	3.4
283.13556	5.0
285.14987	8.8
297.15454	2.9
311.12970	6.7
329.14078	17.1
345.06076	3.2
351.16187	4.4
377.16092	9.4
403.04529	3.9
403.14096	14.1
405.20911	7.3
421.15149	54.1
421.20499	5.4
423.22009	3.6
435.22226	3.3
449.19827	21.3
467.20837	100.0
468.21072	14.4
479.20868	12.7
497.22208	6.1
515.22821	3.6
523.19641	9.8
541.20667	21.6
542.21417	3.4
559.13708	5.6
559.21863	70.5
560.22028	8.0
707.02350	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95915	59.0
86.06611	1.2
96.96964	4.1
122.75071	1.2
134.14987	1.6
152.99597	62.3
171.00652	19.1
227.03340	6.1
245.04330	100.0
253.21742	53.8
254.22241	2.4
350.85748	1.7
437.30539	1.8
461.20120	1.3
481.25720	90.4
482.26025	8.2
635.20679	1.4
1005.55615	1.5
1123.50098	16.1
1124.49390	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95947	1.4
83.15953	0.9
90.95703	0.9
125.10283	1.0
152.99603	2.0
178.73216	1.0
423.32663	11.7
438.13629	2.1
439.32321	1.4
441.33716	4.8
452.14969	1.1
467.31705	2.0
481.15219	11.3
482.15475	2.3
485.32764	64.6
486.33047	6.1
495.16779	5.8
497.19257	1.3
497.99200	1.2
514.15521	1.4
540.16754	2.4
555.18939	18.0
555.26636	1.5
556.19446	3.3
572.15430	8.0
573.15662	1.1
586.17535	2.1
641.22626	24.0
642.23102	4.6
1127.56079	100.0
1128.56128	37.3
1131.81177	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1129.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
80.50075	0.5
83.01376	2.0
85.02942	1.0
87.00863	1.3
93.03452	0.7
98.22577	1.9
107.01397	5.7
108.35715	0.6
115.03963	0.6
117.03471	4.6
124.01644	2.4
125.02419	2.1
131.03502	0.8
132.02150	0.7
134.03728	0.8
135.00803	0.7
135.04506	0.9
143.03485	0.7
149.02473	1.4
151.00392	11.9
152.01172	7.1
159.04471	0.9
169.06580	1.1
173.06087	0.6
175.11951	0.5
178.99863	5.4
181.06590	1.4
183.04453	1.7
195.04646	0.6
197.06064	1.5
199.04013	0.7
205.07169	0.6
211.03986	1.4
224.04971	0.7
225.05582	3.0
227.03511	23.0
228.03993	0.8
229.05057	1.5
229.94391	0.9
241.05019	0.6
255.02994	46.9
256.03421	4.5
257.04514	1.5
259.06091	1.7
269.04556	100.0
270.04910	6.1
284.03271	63.3
285.03937	13.1
399.07248	1.0
424.69431	0.6
518.29175	0.6
549.12531	97.2
550.12823	9.4
579.17236	54.3
579.26685	1.4
580.17566	5.7
776.14502	0.6
1087.96008	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95814	1.8
55.01882	11.3
57.03448	28.8
60.84413	1.9
61.13454	2.2
67.01894	5.0
68.99572	33.6
69.03458	8.0
71.01385	8.2
72.00922	3.7
72.99285	2.4
81.22304	2.0
83.01388	8.1
84.02171	15.9
85.02958	100.0
86.03287	3.9
100.22408	2.9
113.02454	37.1
114.01958	8.5
114.05615	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	9.1
57.03453	34.6
57.31264	2.6
67.01878	3.8
68.99576	83.6
69.03461	17.5
70.09480	2.7
71.01382	11.4
71.28952	4.3
72.00907	5.3
74.73026	3.4
83.01390	7.8
84.02176	19.5
85.02956	100.0
85.82578	2.5
86.73252	2.5
113.02453	43.7
114.01995	5.5
114.05634	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0039
Annotation	Maleic acid
Peak:m/z	Relative Intensity
66.33379	2.0
70.44774	4.5
71.01387	100.0
108.99113	2.0
111.44762	2.1
115.00364	12.4
115.03986	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1153.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03454	1.1
83.01399	3.1
83.05038	0.4
85.06110	0.4
89.03975	1.3
91.01916	0.6
93.03468	2.1
95.01389	0.5
95.05039	1.1
97.02972	1.3
105.03459	0.8
107.05047	1.8
108.02181	0.9
108.58661	0.4
109.02966	9.5
115.73678	0.4
117.03495	1.4
120.02219	0.6
121.02976	2.9
122.03767	0.7
123.00858	0.6
123.04530	4.6
124.01707	0.5
125.02463	100.0
126.02795	2.4
131.05070	1.9
132.02187	0.8
133.02980	8.1
135.00900	0.7
135.04536	1.9
137.02460	11.6
139.04021	1.4
139.94360	0.4
141.89566	0.4
143.05104	0.7
145.02994	0.8
146.03697	0.5
147.04547	1.7
148.01643	0.4
149.02467	2.8
149.06044	0.4
150.03177	0.7
151.04025	10.0
155.05034	0.7
157.02943	0.6
157.06599	0.6
158.03702	0.6
159.04523	3.3
160.01703	0.5
161.02464	34.2
161.06091	1.5
162.03236	2.7
163.00403	3.5
163.04018	3.7
164.01173	7.2
165.01945	6.9
167.03490	1.5
169.06557	0.5
171.04585	0.8
173.06105	1.6
174.03229	1.6
175.02521	0.9
175.04036	17.0
175.07469	0.5
176.01175	0.7
177.01942	13.0
177.05536	1.0
178.02412	0.7
179.03568	2.0
183.04541	1.1
185.02429	0.5
185.06084	0.8
187.04050	4.3
188.04808	1.0
189.01942	2.6
189.05606	1.3
190.02719	0.6
191.03506	1.3
193.05077	1.3
199.04010	6.1
200.04669	1.2
201.01924	2.2
201.05606	2.5
202.06235	0.6
202.99719	0.5
203.03502	3.6
203.07152	3.3
205.01477	1.3
205.05043	2.8
211.04033	1.8
212.04778	0.7
213.05554	1.0
214.02692	1.1
215.03564	1.3
215.07181	0.6
217.01501	0.8
217.05072	8.6
218.05450	0.4
219.03015	3.9
219.06746	1.0
225.05573	1.4
227.03583	3.0
227.07101	0.8
228.04260	0.6
229.01364	0.5
229.05098	2.2
230.02448	0.5
231.03020	1.2
237.05562	0.8
239.03471	0.5
240.04268	0.6
241.05119	1.1
243.02991	23.8
243.06554	2.3
244.03448	2.2
245.04570	11.7
245.08171	3.3
246.05040	0.7
247.05963	0.5
249.05736	0.6
253.05080	1.0
255.03009	6.6
255.05989	0.6
255.06786	0.7
256.03699	3.0
257.04553	2.5
259.06073	0.8
261.04041	7.9
262.04657	0.5
267.03082	1.0
267.06674	0.6
269.04504	4.4
270.05228	0.6
271.02701	0.6
271.06085	0.6
273.04150	1.5
277.05099	0.4
281.04614	2.6
282.01782	1.0
282.05206	0.7
283.02594	2.7
283.05945	0.6
284.03329	0.4
285.04132	3.5
285.07257	0.7
286.05090	0.7
287.05643	37.8
288.05914	2.1
289.07205	16.6
290.07510	0.9
291.06531	0.4
293.04669	1.3
295.02649	1.1
295.06195	1.3
297.04120	1.3
299.05569	2.4
303.04938	0.6
305.04581	0.6
309.07764	0.5
311.05594	0.6
313.07401	0.7
327.05054	1.0
329.06860	1.5
335.06003	0.5
337.07214	0.8
339.05167	0.7
339.08853	1.3
341.06683	1.1
347.05685	0.5
359.05795	0.6
363.05209	0.8
375.05203	0.9
379.04123	0.5
379.08289	1.2
381.06223	1.2
381.10312	0.6
383.07672	0.8
387.05310	1.4
391.04904	0.5
395.07895	1.5
405.06168	7.8
406.06470	0.7
407.07727	19.4
408.07935	2.1
409.09390	0.6
413.08887	9.9
414.08795	0.8
417.06192	0.6
419.07458	0.5
423.07150	5.3
424.07660	0.7
425.08835	7.9
426.09384	0.8
433.09360	0.6
435.07458	0.8
447.07480	0.7
449.08823	8.8
450.09402	0.6
451.10519	6.6
452.10513	0.5
457.09525	0.5
467.09567	0.9
525.08630	1.2
531.09607	1.6
533.11096	1.4
541.08362	0.5
543.09528	1.3
549.10400	1.5
557.11127	0.9
559.12555	1.2
567.09076	0.6
569.11176	1.0
575.12061	9.2
576.12000	1.0
577.13586	9.7
578.13953	0.8
585.10986	0.5
587.12048	2.0
616.12054	0.5
619.14343	0.5
651.13049	0.5
693.12488	1.7
694.12225	0.5
695.14203	5.0
696.13794	0.7
701.15247	1.3
711.12817	0.6
713.15143	1.5
737.14697	0.5
739.16565	2.6
740.16309	0.8
813.15094	1.9
821.17194	0.5
831.15540	1.4
847.18713	0.7
865.19983	3.2
866.20111	0.9
965.18933	0.6
983.20544	1.9
984.20508	0.7
1001.20117	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1153.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03450	0.4
83.05019	0.7
84.01569	0.5
87.04518	0.6
93.03470	0.7
95.05022	0.9
97.02966	1.3
106.04299	0.4
107.05032	3.3
108.02179	0.4
109.02930	0.9
109.06607	12.0
111.04553	0.5
113.02406	0.4
121.02988	0.9
121.06599	3.0
122.03824	0.4
123.04549	1.7
123.08153	0.9
123.38447	0.4
124.37894	0.4
125.02455	0.9
125.06129	0.9
133.02979	1.6
133.06657	0.9
135.04530	1.2
135.27144	0.3
137.06120	1.9
138.64694	0.5
139.07666	4.7
141.07124	2.1
147.08142	0.8
149.06108	1.2
151.07623	0.9
153.09206	1.1
159.08191	1.3
161.02473	0.4
161.06073	1.3
161.09753	1.3
163.07658	1.1
163.11328	7.2
165.09201	0.7
167.07118	0.5
169.06520	0.5
171.19322	0.4
172.89386	0.4
173.09602	0.8
175.07690	0.6
177.05481	0.5
177.09178	1.8
179.10783	1.5
181.08719	1.2
187.07613	0.7
189.05521	0.5
189.09215	0.9
191.10776	1.0
197.05949	0.6
199.07698	1.0
199.11292	0.6
205.12395	0.6
207.10297	1.7
208.10982	0.9
209.11722	0.7
211.11327	0.5
213.05545	0.5
214.06352	1.8
215.06982	0.6
217.12291	0.6
219.10385	0.8
223.13422	1.2
227.10841	0.7
229.12457	0.4
233.08263	0.5
233.11890	0.7
235.13382	0.5
243.13890	0.8
245.11786	0.9
249.09196	0.4
253.08647	0.6
263.14569	0.8
275.16479	0.5
276.87115	0.4
277.12164	0.6
279.13846	0.5
281.15460	1.0
285.15192	0.4
297.15042	0.7
303.16089	1.5
305.11646	0.4
307.13599	1.2
315.16272	0.5
319.16821	0.4
321.18402	0.6
325.14484	0.7
331.17014	0.7
333.18582	0.7
337.17984	0.5
343.15555	0.5
349.18158	1.7
365.17569	0.9
367.19244	0.7
369.20807	0.5
377.17340	2.2
385.20163	0.8
391.22791	2.4
395.18512	2.7
407.22430	2.2
409.24100	0.8
413.19809	2.6
425.23337	1.5
431.20688	1.2
435.21683	2.0
445.22247	1.1
453.22928	1.2
461.25674	0.7
471.23950	2.5
489.24991	2.6
490.25354	0.6
497.21884	0.9
515.22949	1.3
533.23981	38.5
534.24268	4.2
575.21509	0.7
577.22961	100.0
578.23340	12.4
578.30688	0.3
975.33954	0.5
1020.26837	0.5
1173.26416	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03453	2.4
83.01390	6.7
89.04008	1.1
93.03456	2.3
95.01463	1.1
95.05035	2.6
97.02945	2.6
105.03501	0.9
107.05049	2.7
108.02197	1.9
109.02966	22.7
117.03436	1.3
121.02972	4.3
122.03815	1.3
123.04543	16.4
124.04814	0.9
125.02456	100.0
126.02795	2.9
133.02985	6.0
135.04529	2.9
137.01472	1.7
137.02464	22.7
137.03525	1.4
139.04034	3.8
145.02983	1.6
145.06592	1.0
149.02449	7.1
150.03178	0.9
151.04027	15.7
159.04491	5.7
160.05232	1.6
161.02457	31.6
161.06081	4.5
162.03101	3.2
163.00369	2.0
163.04036	4.5
164.01135	4.2
165.01926	6.9
167.03514	2.1
171.04539	0.9
173.05989	1.5
174.03262	1.0
175.04001	13.7
175.07658	2.4
177.01938	7.5
177.05511	1.8
178.02608	1.4
179.03500	5.8
185.05981	1.6
187.04027	9.6
188.04770	3.6
189.02007	1.3
189.05402	1.0
189.30075	0.8
193.05125	1.2
199.03947	2.1
201.05559	1.7
202.06308	1.8
203.03378	2.2
203.07156	12.6
204.07587	0.9
205.01469	2.7
205.05057	9.2
209.17502	0.8
211.04047	1.9
213.05600	2.1
214.02681	1.2
215.03474	1.8
217.05078	3.0
217.08702	0.9
221.08249	2.1
227.03520	3.1
227.07158	2.2
228.04359	1.7
229.04994	4.7
230.05864	1.7
231.02988	2.0
231.06554	1.1
243.03038	4.4
243.06604	1.2
245.04575	6.2
245.08157	17.1
245.19652	0.9
246.08557	0.9
247.06125	1.2
253.05096	2.0
255.03026	12.5
256.03769	7.7
257.04593	4.1
269.04553	2.7
270.04999	0.9
271.06229	1.1
273.04065	5.0
281.04565	6.3
282.01645	1.4
283.02441	3.4
284.03244	2.0
285.03989	4.5
287.05603	13.0
289.07202	67.5
290.07581	4.7
297.04004	1.1
299.05661	7.1
329.06610	1.6
339.08905	6.1
341.06683	1.2
381.09677	3.6
407.07727	79.2
408.08063	8.1
425.08820	59.2
425.13193	1.4
426.09088	7.5
451.10385	20.9
452.10684	2.5
559.12402	4.2
577.13538	52.1
578.13947	8.8
607.32910	0.9
958.93030	0.9
1194.57605	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1157.5546
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03460	4.8
83.01399	13.1
87.00878	2.2
89.02449	2.7
93.03462	3.8
95.01401	2.3
95.05050	3.0
97.02980	5.9
98.21787	2.5
99.04516	2.1
101.02473	3.9
107.05072	2.6
109.02959	6.6
113.02523	1.5
121.03011	4.1
122.03808	2.1
123.04561	2.2
125.02460	73.2
131.05104	1.3
135.04593	4.2
137.02454	47.2
137.93501	1.4
138.02887	2.5
139.03983	2.4
143.48883	1.2
146.03745	24.1
147.04463	1.6
149.02505	2.8
151.04050	4.5
159.04514	11.9
160.05244	3.2
161.02516	2.8
161.06178	3.1
164.01155	14.6
165.01938	28.5
167.03510	20.1
172.05336	6.1
173.06145	5.7
174.03226	10.9
174.06931	2.8
175.04054	6.1
176.04762	1.7
177.02003	4.8
179.03491	10.5
185.05943	2.7
186.06738	1.5
187.04099	4.9
188.04839	7.0
189.05504	2.4
197.06192	2.3
198.07068	1.5
199.04042	2.3
200.04848	6.2
201.05652	4.6
204.04358	6.2
209.06142	3.4
210.06880	3.1
211.07561	2.0
212.04739	10.8
213.05554	1.5
221.06702	3.3
225.05684	6.2
226.06389	3.7
227.07240	1.8
228.07878	2.4
237.05583	2.3
241.05222	1.4
243.14050	2.0
251.07161	2.3
252.08028	2.4
253.12460	2.2
255.13966	2.9
268.07477	2.7
269.11978	3.7
270.09091	4.6
271.13412	30.7
272.13800	2.1
277.21893	5.5
283.13577	4.2
285.15012	3.4
287.12827	2.8
288.06451	2.1
289.14496	11.3
294.08972	2.1
295.13431	3.0
297.15082	3.8
299.13016	4.9
301.14597	4.5
309.15070	2.3
313.14474	15.2
315.16174	2.5
317.14133	6.2
325.14441	12.0
331.15707	4.1
335.16663	5.4
337.14484	11.5
343.15640	7.1
353.17957	3.1
355.15784	5.8
377.17728	4.9
379.15738	4.0
393.17377	2.6
395.18802	6.4
401.17877	2.1
413.19504	2.5
419.18649	22.3
437.19669	14.5
455.21198	1.6
463.17905	7.5
481.18698	2.7
501.99960	1.7
552.04846	1.4
644.09180	1.4
702.15088	1.7
729.30127	4.4
735.28796	1.6
753.30231	5.2
817.33185	2.5
835.34479	11.2
836.35217	3.4
853.35620	2.5
861.32227	3.5
879.32788	6.0
880.32983	1.8
947.50897	1.9
959.50055	3.5
975.49713	5.3
989.51453	16.9
990.51660	2.8
1001.51160	15.5
1002.52264	4.8
1013.50995	13.7
1014.51636	4.8
1019.52081	12.1
1020.52625	3.8
1031.51892	2.7
1055.51599	5.2
1071.55945	5.0
1095.55359	30.1
1096.55713	8.5
1113.54370	6.7
1121.53516	11.9
1122.54309	2.3
1139.54333	100.0
1140.54541	31.0
1157.29846	2.9
1157.55420	45.5
1158.55994	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0195
Annotation	Succinic acid
Peak:m/z	Relative Intensity
51.68716	0.4
55.01871	1.2
62.95801	0.4
70.43623	1.5
71.01365	0.6
73.02951	100.0
74.03297	2.9
85.86987	0.5
99.00891	9.1
99.92602	0.7
116.92896	1.2
117.01955	10.4
117.02745	0.7
118.02326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
59.01376	0.5
68.99622	4.7
72.49239	0.4
72.85740	0.4
73.02951	100.0
74.03298	3.4
74.52100	0.4
85.82727	0.5
90.95745	0.4
98.22330	1.9
99.00880	8.7
99.01467	0.7
99.92595	2.4
100.01215	0.6
116.92873	6.3
117.01943	10.2
117.92860	0.4
118.02292	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1173.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
83.17282	0.7
96.98908	0.5
107.01379	1.0
135.00960	0.7
143.05042	0.8
151.00360	4.2
160.19026	0.6
164.01027	0.5
182.03674	0.7
183.04478	1.7
185.02466	0.8
199.04019	0.8
211.04008	2.1
211.71239	0.6
227.03510	47.2
228.03886	2.6
229.05020	1.6
239.03539	0.6
241.04930	0.8
254.02139	0.6
255.02995	86.6
256.03497	10.0
257.04471	2.0
283.02432	1.3
284.03275	100.0
285.03940	22.1
286.04593	1.5
370.26196	0.6
429.08377	1.6
579.13593	64.9
580.14069	6.8
593.15161	69.9
594.15564	8.8
636.07379	0.7
701.03632	0.6
859.22754	0.6
1188.72815	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1173.6571
Annotation	Unknow
Peak:m/z	Relative Intensity
96.73807	1.4
107.86997	1.3
121.20135	1.4
125.02477	1.6
138.06863	5.6
239.18082	1.9
333.25864	3.4
348.36377	1.5
377.24860	48.7
378.25168	5.4
397.13498	1.9
453.30090	100.0
454.30392	10.9
1142.05530	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1182.8759
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02953	2.6
89.02448	11.3
95.01365	1.1
98.02509	0.7
98.21774	1.1
101.02448	10.5
113.02469	8.2
119.03503	9.6
126.09299	3.0
130.56181	0.6
131.03532	0.8
143.03491	2.5
149.04562	1.1
161.04547	2.0
167.14380	0.6
177.95313	0.6
179.05635	5.6
225.22249	7.9
226.22615	0.6
231.93234	0.6
253.21881	1.6
270.24426	1.2
271.22815	3.2
296.25940	1.8
312.25491	1.6
321.13535	0.6
380.31708	1.1
397.12469	0.7
453.33749	29.3
454.33899	3.5
472.52448	0.7
530.45837	1.2
548.46918	18.5
549.47388	2.0
566.48108	7.5
567.48157	1.3
713.28687	0.6
728.53204	100.0
729.40747	1.0
729.53619	18.4
740.14655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.035
Annotation	L-Erythrulose
Peak:m/z	Relative Intensity
55.01871	3.2
55.24496	1.8
55.96518	2.1
58.00594	6.9
59.01384	100.0
70.49651	4.2
71.01391	33.2
72.99316	9.7
75.60424	2.0
83.01408	3.4
89.02463	2.2
93.03468	2.6
100.64150	2.2
101.03994	7.6
101.92442	5.9
117.03497	6.3
117.81459	2.0
118.92658	16.0
119.02509	3.9
119.05036	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0504
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
54.27478	1.1
59.07831	0.8
70.46067	1.0
71.19224	0.9
81.29019	0.9
83.89709	0.9
91.05557	2.3
93.03462	7.0
116.18015	1.1
117.97730	1.0
119.05041	100.0
120.05377	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0504
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
82.91399	0.5
86.51140	0.5
91.05548	1.3
93.03451	6.1
118.92684	2.3
119.05038	100.0
120.04623	0.9
120.05381	5.1
128.32278	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01600	0.5
62.27997	0.5
66.64086	0.5
69.42300	3.9
72.27602	0.5
91.05548	1.8
93.03468	5.8
101.92422	1.6
117.03466	1.0
118.92656	2.8
119.02558	1.6
119.05036	100.0
120.05376	6.2
125.31808	0.6
129.54514	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0505
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
50.37619	0.8
54.88127	1.0
61.52072	0.9
69.98147	0.9
70.04319	0.9
71.30198	1.2
91.05518	1.1
93.03469	5.2
101.49565	1.0
101.92439	2.5
104.02682	1.0
118.92678	4.3
118.96552	1.5
119.02548	3.0
119.05035	100.0
120.05363	7.3
124.29045	1.0
136.01431	0.9
138.86516	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0297
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.23008	2.0
66.03489	3.2
69.17571	10.3
69.18003	7.8
71.33875	1.8
84.81242	2.0
89.72452	2.0
93.03466	8.0
94.02988	12.0
98.22569	3.4
108.02164	2.6
114.04983	2.0
121.02965	100.0
122.02479	9.7
122.03335	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0298
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
56.99332	0.2
63.29432	0.2
65.03963	0.4
66.03495	0.7
69.68420	1.2
82.25933	0.2
91.01916	1.4
93.03468	4.0
94.02985	2.0
95.01395	1.4
98.22511	0.3
108.02190	4.4
121.02969	100.0
122.02472	1.4
122.03313	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	122.0376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27538	2.0
50.93913	2.3
53.38529	2.4
59.07841	2.3
61.98829	6.0
66.03493	31.6
67.01891	4.0
68.99808	4.2
71.29520	4.8
74.57426	3.0
79.93418	2.5
80.94707	2.4
89.28307	2.6
94.02995	100.0
95.01394	66.6
97.90150	2.4
108.02202	4.2
108.05824	3.5
121.02949	10.3
122.02486	57.3
122.03745	86.2
123.00900	29.5
123.02805	2.9
123.04496	13.6
123.08165	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0453
Annotation	Trichodenone A
Peak:m/z	Relative Intensity
66.03487	21.0
67.01886	7.2
68.99821	5.1
69.03455	3.0
69.95741	2.1
70.48828	1.7
78.03490	3.5
79.95749	2.2
81.03466	4.0
82.03003	4.5
88.25198	2.0
93.03461	6.2
94.02989	43.8
95.01395	100.0
95.03335	3.7
95.05038	8.7
96.01718	5.7
96.04566	22.5
105.03459	3.8
108.02183	8.7
109.01713	3.5
118.35472	1.8
122.02469	3.1
122.03749	16.0
123.00909	43.6
123.04535	74.5
124.01679	4.7
124.04057	38.0
124.04889	5.1
127.29774	2.1
129.48164	2.0
135.26100	2.6
135.62416	2.2
137.02464	3.4
137.81062	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0245
Annotation	1,2,3-Trihydroxybenzene
Peak:m/z	Relative Intensity
55.01865	6.6
67.01894	11.1
68.99803	12.6
69.03451	10.2
69.62095	22.2
79.95735	15.8
81.03457	65.8
84.61041	5.0
88.45088	4.3
88.72774	3.9
94.98087	8.7
96.93627	4.8
96.99320	87.9
97.02946	9.6
97.99624	8.0
98.21864	8.4
124.98798	41.2
125.02451	100.0
125.99091	4.4
126.01890	4.2
140.62830	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0246
Annotation	1,2,3-Trihydroxybenzene
Peak:m/z	Relative Intensity
63.01897	4.6
67.01884	16.0
68.99832	11.0
69.03449	14.1
69.89968	20.4
80.99804	6.6
81.03462	65.2
82.02998	6.2
96.96017	7.8
96.99318	100.0
97.00344	4.2
97.02956	12.4
124.15195	4.6
124.98787	49.1
125.02456	94.2
126.02782	6.5
132.56868	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.061
Annotation	Ampelomin A
Peak:m/z	Relative Intensity
53.79765	3.1
57.03444	4.3
69.03455	10.9
71.32066	5.4
81.03450	4.7
83.05007	5.2
86.04248	3.4
95.04998	5.4
97.02951	7.5
97.06611	8.8
103.50596	3.6
105.22856	3.3
107.05050	90.7
108.05386	8.0
109.02962	8.2
125.02461	69.4
125.06098	100.0
126.01949	5.3
126.02817	7.0
126.06403	4.7
127.89285	3.6
138.37576	3.7
140.56398	3.9
142.02670	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.061
Annotation	cis-1,2-Dihydro-3-methylcatechol
Peak:m/z	Relative Intensity
57.03446	11.1
67.01884	2.6
69.03457	16.5
70.51175	5.6
78.95428	1.6
79.01893	3.2
81.03462	18.4
83.01402	4.6
83.05009	1.7
95.01371	3.3
96.99322	4.1
97.02973	12.3
124.01670	4.3
125.02460	100.0
125.06092	57.4
126.01971	3.3
126.02792	4.5
126.06452	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	9.9
57.03452	48.6
67.01894	85.9
68.39075	5.9
68.99821	10.4
69.43409	24.8
69.43827	13.2
70.96558	5.0
71.01386	16.8
71.05010	13.0
72.99303	10.6
73.02947	22.0
83.05030	9.1
85.02961	100.0
86.81205	5.7
88.04013	13.5
97.49817	6.7
129.01965	21.3
130.08783	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0195
Annotation	Mesaconate
Peak:m/z	Relative Intensity
55.01876	16.3
57.03454	45.4
67.01897	100.0
68.99831	8.9
71.01385	10.4
71.04981	6.2
71.16157	8.9
71.16489	7.4
72.99303	8.0
73.02955	15.2
79.40660	5.1
85.02959	60.7
88.04047	73.3
116.38338	6.6
128.90225	11.8
129.01935	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0196
Annotation	Mesaconate
Peak:m/z	Relative Intensity
55.01873	13.9
57.03456	29.7
58.02954	4.3
67.01889	46.4
68.99818	17.8
70.12249	3.5
70.69662	8.2
71.01389	10.0
71.05015	8.7
72.99309	5.7
73.02934	10.8
76.09330	2.8
78.74033	2.7
82.92052	3.1
83.01385	4.2
85.02960	100.0
86.06145	3.0
87.00882	2.7
88.04046	41.6
98.02473	4.3
101.02446	5.9
129.01961	15.6
129.05582	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.056
Annotation	(S)-3-Methyl-2-oxopentanoic acid
Peak:m/z	Relative Intensity
57.03448	6.6
68.99837	3.9
70.89714	6.3
70.90033	4.1
75.58653	3.5
83.05035	12.0
85.02951	4.7
85.06593	100.0
110.19361	3.1
111.04517	27.4
128.90172	11.2
129.01915	3.3
129.05586	32.5
130.08769	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0876
Annotation	Isoleucine
Peak:m/z	Relative Intensity
50.97281	1.0
51.59980	1.2
56.44060	1.2
68.20081	1.2
69.53031	4.0
69.53452	4.3
74.21410	1.3
74.79462	1.1
79.83854	1.1
84.96600	1.2
85.02946	5.7
87.04494	2.3
88.04035	3.5
98.22391	2.1
130.08751	100.0
131.09096	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0352
Annotation	2-Acetolactate
Peak:m/z	Relative Intensity
57.03454	25.7
64.43726	3.8
68.99805	7.4
69.23856	26.6
69.24244	8.1
71.01394	19.1
73.02935	16.3
74.04700	4.1
84.02191	4.4
85.02959	100.0
85.06622	4.3
87.04515	6.7
93.36322	4.8
98.22551	8.6
113.02512	4.5
131.03522	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30597	0.6
57.03444	0.7
63.21802	0.6
69.03103	0.8
69.03461	15.1
78.55551	0.5
85.02966	5.3
85.06596	100.0
86.06922	5.5
87.04510	0.8
112.85470	0.7
113.06107	3.0
128.36984	0.6
129.05602	1.4
131.07156	32.0
132.07506	2.4
140.56970	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0716
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
51.83260	1.0
60.56074	1.1
64.17903	1.1
65.59034	1.2
69.03454	3.1
69.77308	1.2
69.81918	2.6
69.82322	3.8
83.05009	1.7
85.02975	2.1
85.06596	100.0
86.06947	5.9
90.86657	0.9
113.06096	2.3
113.76712	1.0
131.07156	35.0
132.07507	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0829
Annotation	D-Ornithine
Peak:m/z	Relative Intensity
54.94105	2.3
67.45190	2.5
69.52143	7.3
69.52547	5.7
83.06177	5.0
85.02966	13.7
85.06575	2.5
87.04543	6.9
88.04057	5.9
98.22626	3.1
115.00398	2.3
125.32059	2.1
131.03577	4.1
131.08279	100.0
132.08646	4.2
146.41133	2.1
148.61594	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0145
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
50.70805	1.2
56.73802	1.2
59.01373	2.5
71.01386	84.4
72.01720	2.9
72.99313	23.3
87.00904	2.2
89.02462	8.8
89.21558	1.4
115.00381	100.0
116.00736	5.0
118.96908	1.3
120.84136	1.3
133.01445	18.1
137.31142	1.2
152.78125	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86264	1.0
59.01375	2.5
69.40701	7.5
69.52457	1.1
71.01387	81.4
72.01712	1.8
72.21826	1.1
72.99315	19.9
82.38854	1.3
82.66241	1.0
87.00888	1.6
89.02455	7.4
94.04937	1.0
98.22193	4.0
109.66423	1.0
115.00381	100.0
116.00742	4.3
133.01440	14.2
133.05084	1.4
134.01843	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37640	0.9
56.90582	1.0
59.01383	1.7
69.37106	4.6
71.01388	85.2
72.01711	2.1
72.99310	20.1
73.99681	1.0
76.57136	0.9
77.03823	1.0
87.00909	1.1
89.02447	8.6
109.15504	0.9
115.00382	100.0
116.00720	3.6
116.08334	1.0
116.82737	0.9
132.86765	1.1
133.01445	16.6
134.01736	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0296
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
50.18350	2.4
54.68765	2.9
65.00314	4.2
69.43904	17.5
71.01383	30.4
72.99318	4.7
77.03974	26.0
79.91575	2.6
87.04546	3.2
89.03986	6.0
92.02567	5.0
93.03449	4.6
95.05030	35.2
105.03469	70.3
106.03809	4.2
107.03639	16.4
109.52180	2.6
115.00383	27.9
121.02978	5.1
123.04525	8.5
129.39110	2.4
132.02180	26.1
132.86780	22.7
132.90005	3.7
133.01476	5.7
133.02974	100.0
133.06578	2.5
134.03337	6.0
134.03673	3.6
134.04729	46.5
137.75526	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0297
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
65.00325	4.1
68.74409	1.2
71.01385	5.4
76.04810	1.3
77.03973	23.0
78.22179	1.5
89.03985	5.2
93.03461	2.3
95.05034	31.8
96.05377	1.5
98.21748	3.6
104.02728	2.9
105.03468	66.4
106.03823	3.9
115.00369	6.6
121.02975	2.6
123.04544	4.5
132.02187	19.8
132.86838	2.2
133.02971	100.0
134.03423	7.1
134.04758	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0297
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
52.53248	2.2
53.18944	2.0
62.57921	2.2
65.00313	2.9
70.28896	7.6
71.01390	25.0
72.99320	6.4
73.37245	2.1
77.03973	24.8
87.04546	3.1
89.02463	3.0
89.03976	10.4
92.02581	2.5
93.03464	3.1
95.05034	27.4
96.05345	2.7
101.70771	2.3
104.02705	5.4
105.03477	63.8
106.03790	3.6
107.03643	13.1
115.00397	24.6
121.02964	3.0
123.04543	4.1
125.55212	2.3
132.02180	100.0
132.86821	20.1
133.01443	4.1
133.02989	99.3
134.03745	4.9
134.04715	25.6
139.23698	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74944	0.5
57.03454	0.6
58.11082	0.5
59.01364	2.0
65.01442	1.6
66.02032	0.5
68.02527	0.8
69.93913	2.2
71.01387	45.9
72.01723	0.6
72.99304	1.3
75.75848	0.5
80.02561	0.6
85.82545	0.6
87.00876	20.4
87.04533	4.7
89.02462	4.8
90.44682	0.5
92.02557	9.9
92.45604	0.6
99.10455	0.5
107.03640	39.5
115.00370	3.3
129.45657	0.5
132.86807	5.9
133.01477	0.9
133.04254	0.4
133.05077	17.9
134.04735	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21389	0.6
59.01371	1.6
65.01455	0.9
68.02519	0.8
70.81270	0.7
70.81612	1.3
71.01386	48.4
71.57842	0.7
72.01716	1.5
72.99269	1.3
84.78349	0.5
87.00886	18.7
87.04534	5.5
89.02454	3.5
92.02549	12.5
94.39569	0.5
97.89377	0.6
98.22189	0.8
107.03643	40.3
115.00356	3.9
132.86798	7.0
133.01431	1.6
133.05074	19.8
134.04738	100.0
135.55429	0.6
147.08739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10137	6.5
59.01439	6.3
61.19312	6.1
69.43054	39.7
69.43465	10.5
75.00867	9.1
93.03439	10.1
106.04282	9.7
107.03639	12.8
112.52317	6.4
115.88728	7.9
116.65494	6.6
134.03748	100.0
134.04741	42.6
134.89514	15.4
135.04535	76.3
143.64064	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01447	1.4
68.02531	0.7
69.56827	1.3
74.86790	0.2
75.00846	0.5
80.02547	0.6
92.02551	11.4
93.02872	0.3
98.21848	0.3
107.03643	42.8
108.03331	0.5
108.03991	1.2
115.28395	0.2
134.04738	100.0
135.05200	4.4
139.81549	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0475
Annotation	Adenine
Peak:m/z	Relative Intensity
53.70079	0.4
59.09119	0.4
59.41829	0.3
65.01444	1.6
68.02515	1.0
70.09430	1.5
80.02559	1.0
92.02553	11.5
98.22555	0.4
107.03647	43.9
108.03971	1.1
134.04741	100.0
135.05219	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0453
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
70.35226	1.1
70.92305	1.2
70.92625	1.8
89.03992	1.8
106.04251	1.3
107.05036	4.3
117.03474	2.2
117.10098	1.1
128.53424	1.0
134.03758	20.5
134.89478	1.6
135.04539	100.0
136.03998	1.2
136.04880	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58434	3.4
73.70805	0.6
75.00863	1.8
92.02695	1.5
92.05059	1.8
93.03466	52.1
94.03806	2.1
95.01397	6.6
98.22530	0.8
108.02184	25.6
109.02477	1.0
123.00890	0.9
134.86555	1.5
134.89511	0.8
135.04536	100.0
136.01668	6.6
136.04860	7.8
144.28143	0.6
153.73256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0168
Annotation	3-Hydroxybenzoate
Peak:m/z	Relative Intensity
67.01884	2.7
69.00542	4.1
69.00967	7.6
69.03454	2.8
74.99081	2.0
83.01366	1.5
92.05066	9.0
93.03466	24.9
94.03822	6.6
95.01408	12.0
97.02943	1.9
101.99754	1.3
108.02184	100.0
109.02400	7.1
123.00912	1.6
136.01674	72.7
136.03970	1.4
136.04886	18.1
136.86308	5.5
136.89183	3.4
137.02515	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0406
Annotation	4-Nitrotoluene
Peak:m/z	Relative Intensity
64.01919	3.6
65.00316	1.4
65.03948	4.7
66.83879	1.2
74.99105	2.7
83.01350	1.2
92.05066	14.4
93.03463	94.3
94.02972	2.2
95.01392	1.4
106.04247	1.6
106.47397	1.2
108.02196	5.4
109.03006	2.3
110.05508	1.1
118.28231	1.4
118.63583	1.1
119.05028	3.2
135.89525	7.6
136.01721	4.8
136.04048	100.0
136.04869	4.7
136.86258	5.8
136.89186	15.4
137.02463	29.0
137.04349	6.2
137.06024	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0406
Annotation	Anthranilate
Peak:m/z	Relative Intensity
65.03969	0.7
69.39282	2.6
74.99106	0.8
81.03464	0.7
92.05069	100.0
93.03465	37.2
93.05378	5.0
93.05840	0.5
94.03754	0.5
99.92677	0.6
100.13998	0.4
108.02193	2.0
109.02995	0.7
122.03778	0.6
129.29677	0.5
135.89459	0.5
136.01668	2.1
136.04005	3.3
136.04866	2.6
136.86334	0.8
136.89149	1.1
137.02455	13.1
137.06006	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0531
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30812	1.3
79.83592	0.9
93.03463	8.6
102.16566	0.9
107.05059	1.3
108.02199	1.0
109.02946	1.4
122.03759	3.1
135.04527	8.9
135.89508	2.2
136.05313	100.0
136.86285	2.9
136.89200	4.0
137.02405	5.6
137.05638	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0246
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
53.93257	0.2
65.03969	4.0
70.09376	0.2
70.95113	0.3
75.02393	0.2
79.15967	0.2
89.76705	0.2
93.03465	100.0
94.03795	5.0
105.28490	0.2
108.02200	0.2
120.87687	0.2
137.02457	6.5
138.02805	0.3
151.61453	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13734	0.3
65.03972	4.9
69.66582	2.2
93.03465	100.0
94.03799	5.7
102.64687	0.4
137.02455	6.5
138.02798	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53533	0.3
50.71080	0.4
51.90372	0.4
56.29410	0.3
65.03960	3.8
70.81683	1.1
75.30766	0.3
93.03465	100.0
94.03802	5.7
137.02454	6.8
159.41246	0.4
159.56000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	1.5
69.03468	0.7
69.28498	3.9
74.99092	1.0
81.03469	4.3
89.22875	0.8
91.01917	1.6
93.03466	77.9
94.03786	5.7
94.34776	0.6
98.22536	1.2
101.48172	0.6
102.12350	0.6
108.02178	8.8
109.02969	4.7
119.01395	1.8
123.03321	0.6
136.01668	12.1
136.89200	0.8
137.02457	100.0
138.01942	2.8
138.02864	6.8
138.05618	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67100	1.3
54.38731	1.3
62.52454	1.1
65.03970	2.1
67.01912	1.7
69.03498	40.3
69.03867	4.5
69.48837	1.1
74.99096	12.1
79.11697	1.3
83.01392	100.0
84.01748	2.9
93.03467	38.6
94.03044	1.2
94.03761	1.8
108.02176	11.6
109.02962	35.7
110.03294	2.7
136.01704	2.5
136.86314	1.7
136.89159	1.5
137.02458	89.4
138.01970	11.5
138.02834	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0246
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
56.53114	0.3
58.33833	0.2
65.03976	1.5
69.38402	1.5
69.38796	0.4
70.54218	0.2
71.92130	0.2
87.28968	0.2
93.03468	100.0
94.03796	5.6
98.22605	0.3
100.84395	0.2
108.02174	0.8
117.31853	0.2
137.02460	10.7
138.01913	0.5
138.02814	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0199
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
71.31039	0.7
87.04280	0.5
105.79278	0.5
108.02182	86.8
109.02516	4.9
114.45296	0.5
138.01982	100.0
139.02322	5.7
142.94307	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0766
Annotation	cis-1,2-Dihydro-3-ethylcatechol
Peak:m/z	Relative Intensity
55.01884	0.8
55.16343	0.7
60.32682	0.7
62.99828	0.7
67.01871	1.2
71.28445	1.1
80.17398	0.7
97.06570	1.4
109.02477	1.1
111.00881	1.1
123.04538	13.9
124.05333	0.7
133.44189	0.8
138.86092	1.0
139.04041	9.7
139.07669	100.0
140.08017	7.4
156.04305	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0767
Annotation	cis-1,2-Dihydro-3-ethylcatechol
Peak:m/z	Relative Intensity
59.29035	2.6
64.97134	2.6
71.32114	3.1
82.33282	2.6
94.40536	3.1
95.05047	19.5
97.02962	11.8
109.06610	11.4
121.06591	5.0
122.03748	52.6
123.04092	3.4
124.05318	100.0
125.05632	3.4
137.06110	7.6
139.00516	2.9
139.02397	3.4
139.07716	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79612	3.2
53.00316	26.4
58.00599	22.3
59.01373	12.1
60.65388	3.4
63.11178	3.2
68.99818	5.9
69.03447	10.5
69.40857	21.0
71.01034	4.5
71.01389	55.6
71.05013	11.7
72.99296	6.9
73.02943	3.5
80.99818	7.8
81.03455	11.9
84.02170	6.2
85.02953	12.3
87.00888	16.8
87.92551	21.2
91.98847	3.2
96.04531	3.5
96.99323	30.6
97.02984	4.8
98.06112	6.1
99.04518	30.5
102.05686	3.4
103.92008	7.3
112.98824	48.8
115.00375	6.8
124.98813	87.0
125.02493	4.0
125.99126	5.2
126.05627	11.2
126.88911	3.5
140.98289	13.4
142.99870	100.0
143.03525	5.3
144.00194	4.0
144.06680	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	18.9
58.00599	42.4
59.01370	8.7
62.46111	3.6
68.99792	8.3
69.03478	14.2
69.87079	12.5
69.87418	3.6
71.01388	49.8
71.05034	25.1
78.97946	3.3
80.99825	8.4
81.03461	16.5
84.02163	12.7
85.02957	4.4
87.00880	14.9
87.92532	25.5
96.99312	35.1
97.80235	2.9
98.06118	3.2
98.20252	2.8
98.21817	3.8
99.04531	59.1
102.05603	3.5
103.92020	12.8
107.84340	3.0
112.98814	39.7
115.00373	6.4
115.04025	3.5
123.94643	7.4
124.98817	83.3
140.98312	9.0
142.99867	100.0
143.03494	4.4
144.00171	4.0
144.06662	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	86.5
60.01709	4.4
70.89420	5.1
71.01400	9.2
72.14610	2.6
85.02959	7.1
87.04471	4.0
89.01461	3.2
116.02601	5.8
133.36040	2.7
134.06488	3.0
143.02542	4.1
143.03584	9.5
143.05083	4.7
143.10796	8.7
144.04575	100.0
144.06651	5.3
149.67332	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0715
Annotation	SCHEMBL9008708
Peak:m/z	Relative Intensity
59.96759	3.3
64.18447	3.7
69.05683	33.6
69.06089	6.7
72.99318	85.0
73.48513	3.6
73.99701	3.3
78.34500	3.4
84.97636	3.2
89.41435	3.2
95.26263	3.2
95.80083	3.3
97.06598	63.2
98.10053	3.5
125.06100	100.0
126.06435	10.7
142.18437	3.5
143.07150	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0457
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
58.18314	0.3
61.30816	0.3
62.28607	0.4
65.99847	1.1
69.61309	1.8
82.97218	0.3
97.37639	0.3
101.06049	0.3
102.03509	1.5
105.25590	0.3
106.13992	0.3
113.02364	0.4
116.05069	0.9
117.03516	0.4
129.39685	0.4
144.04562	100.0
145.04916	7.5
155.41628	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0509
Annotation	Adipic acid
Peak:m/z	Relative Intensity
66.84869	2.1
67.62078	1.9
69.35764	2.0
69.59565	7.9
70.69521	2.0
71.01380	3.0
73.16805	2.3
81.03459	13.8
83.05032	38.9
101.06090	100.0
102.05617	6.3
102.06381	3.7
112.03711	1.9
117.03503	3.0
118.03004	6.1
127.03996	3.6
144.96480	3.6
145.04013	4.0
145.05029	25.7
146.02492	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0621
Annotation	L-Glutamine
Peak:m/z	Relative Intensity
58.02972	9.5
66.62949	2.2
67.03029	4.5
69.08713	18.2
69.09045	3.6
70.02969	2.5
72.00922	7.3
74.02480	20.0
75.41998	1.9
82.03014	11.0
84.04552	29.7
86.02477	6.1
95.12060	2.3
96.89066	2.2
98.02483	3.2
99.05637	3.7
99.75253	2.0
101.07229	11.7
102.05620	100.0
107.02516	3.4
109.04082	19.9
125.03584	9.0
127.05148	51.8
128.03552	60.0
145.06148	22.5
145.11414	2.1
146.04608	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0872
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
56.48186	1.1
62.42742	1.2
68.06792	1.1
69.03456	1.0
70.18977	1.1
72.99320	1.0
76.08955	0.9
82.79104	1.0
83.05047	2.1
84.19447	1.0
85.74001	0.9
97.06598	4.6
99.08167	100.0
100.08509	5.4
106.00084	1.1
117.03452	1.3
118.02982	1.2
121.62196	1.0
127.07616	1.1
145.02986	1.3
145.08717	26.2
146.02473	5.0
146.09065	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43743	0.7
69.11687	1.0
69.13589	4.4
69.14021	3.6
70.25758	0.9
75.82021	0.9
77.96397	0.8
95.05009	1.0
97.06575	4.9
98.06844	0.9
99.08165	100.0
100.08483	5.3
102.82981	1.0
125.04308	1.0
127.07668	2.9
132.63438	0.9
143.07089	1.4
145.08722	27.7
146.02498	1.4
146.09079	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0461
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
53.41312	1.4
54.73079	1.3
59.15604	1.6
59.97089	1.9
60.70543	1.4
69.04261	15.6
69.04601	2.5
71.01384	1.6
72.00909	1.4
82.03026	1.4
85.02971	1.5
92.95977	8.5
102.05616	100.0
103.05969	4.5
128.03543	33.7
128.04463	2.1
129.03873	2.0
136.73157	1.5
146.04597	9.5
154.60425	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66881	1.9
59.01377	6.1
61.98850	2.5
66.03513	3.5
71.01387	7.3
71.05036	5.3
74.70947	2.0
80.32172	2.2
85.02962	2.6
86.81062	2.1
87.00867	2.6
90.03495	15.7
92.95989	14.1
94.02985	2.3
101.06107	6.6
107.03659	3.6
115.00491	2.4
118.03025	10.2
119.05077	6.3
132.03255	2.3
146.02495	89.9
147.02013	5.4
147.03290	100.0
147.06673	5.0
148.03790	4.2
148.06367	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0453
Annotation	4-Hydroxycinnamyl aldehyde
Peak:m/z	Relative Intensity
50.69843	11.4
52.48770	12.2
67.00854	12.9
69.73214	11.1
79.90820	10.0
101.03950	15.9
119.05032	44.7
137.73170	10.3
147.04515	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0454
Annotation	4-Hydroxycinnamyl aldehyde
Peak:m/z	Relative Intensity
69.12323	6.3
71.01384	0.8
93.03480	3.6
93.03986	0.6
117.03484	1.5
119.05032	13.2
120.05405	1.5
129.03488	6.8
147.04535	100.0
148.04906	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0453
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
59.01367	12.5
69.31067	62.4
71.01393	15.1
71.05025	23.3
72.99322	24.9
75.89289	9.9
81.26721	9.2
85.02934	12.8
91.00323	9.6
119.05038	34.1
146.02486	41.4
147.01990	27.6
147.03203	58.0
147.04532	100.0
147.06618	26.4
148.03987	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0454
Annotation	trans-Cinnamate
Peak:m/z	Relative Intensity
50.31264	12.4
54.65407	10.9
59.89662	10.8
62.12458	11.7
70.79749	20.8
103.05554	16.4
108.95330	12.2
144.04269	14.5
147.04544	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0457
Annotation	2-Deoxyribonic acid
Peak:m/z	Relative Intensity
55.01880	4.4
57.03445	3.1
59.01382	41.3
59.21217	2.2
67.15296	1.8
69.03445	5.6
69.66096	10.5
71.01386	43.8
72.99310	2.2
73.02949	31.0
75.00866	5.3
80.29446	1.6
85.02963	9.6
87.00894	14.2
88.03671	1.7
89.02453	100.0
90.02763	2.8
98.22507	2.1
101.02461	3.0
103.04033	4.6
131.03493	14.7
149.04565	38.2
150.04910	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0457
Annotation	2-Deoxyribonic acid
Peak:m/z	Relative Intensity
59.01383	100.0
68.99647	36.1
69.00051	13.5
71.01389	26.8
72.99304	6.7
80.58244	5.5
82.95982	5.2
89.02441	6.6
94.99321	12.0
118.96648	6.1
121.02968	8.0
121.73414	6.1
162.61493	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0324
Annotation	gamma-Chloronorvaline
Peak:m/z	Relative Intensity
57.72254	1.3
61.86907	1.3
65.03965	2.4
67.01876	2.7
69.53542	7.9
70.68242	1.5
71.52140	1.5
98.21861	2.7
99.46597	1.4
107.05046	6.8
109.02977	2.2
121.02941	3.1
122.03745	7.9
123.04559	10.6
129.33809	1.4
136.01698	3.6
139.04015	4.1
149.02460	10.0
150.03242	100.0
151.04037	13.6
167.34726	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0324
Annotation	gamma-Chloronorvaline
Peak:m/z	Relative Intensity
67.01874	2.6
67.55086	1.9
71.01381	2.7
71.27332	2.9
81.03506	1.9
96.58228	1.9
101.02465	2.3
107.05034	3.4
108.02172	3.4
109.36977	1.8
122.03748	7.2
123.00906	2.7
123.04533	7.6
136.01671	21.3
137.02458	2.0
139.04054	3.2
149.02470	10.5
150.00217	3.2
150.03246	100.0
151.04037	15.2
154.02754	1.9
164.93076	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0325
Annotation	gamma-Chloronorvaline
Peak:m/z	Relative Intensity
56.50972	1.3
58.15211	1.7
59.01376	1.4
69.01588	13.3
97.06680	1.5
99.28944	1.6
108.02169	3.1
122.03756	84.1
123.04070	3.4
127.82692	1.5
136.01674	43.1
142.55130	1.5
150.00179	2.6
150.03239	100.0
151.03732	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0324
Annotation	4-(hydroxymethyl)benzoate
Peak:m/z	Relative Intensity
53.83891	2.2
59.01376	2.7
62.51334	2.2
64.21498	2.2
66.56800	2.1
69.13483	17.6
71.01378	11.1
74.68203	2.1
77.03998	2.2
78.51688	2.8
79.01909	2.4
81.03421	4.4
93.03465	48.2
94.03827	2.2
95.01395	4.7
98.21706	2.2
101.02419	4.3
107.05064	4.2
108.02165	8.8
108.04590	4.2
121.02963	100.0
122.03786	43.2
122.06110	4.4
123.04570	15.0
133.01595	2.3
136.01677	71.3
149.02441	20.6
150.00232	6.0
150.02005	3.0
150.03238	38.1
150.05685	11.5
151.04034	20.8
151.06172	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0324
Annotation	4-(hydroxymethyl)benzoate
Peak:m/z	Relative Intensity
59.01368	1.9
71.01380	3.6
89.02466	2.0
93.03473	10.6
94.02982	1.5
94.03829	0.9
97.52025	0.9
98.22668	1.4
107.05050	2.6
108.02180	3.2
121.02964	100.0
122.03303	3.9
122.03867	1.3
123.04546	8.4
136.01674	29.0
142.27267	0.9
149.02458	2.4
150.00179	3.1
150.02040	1.0
150.03230	27.5
150.05528	2.0
151.04077	9.2
163.00681	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0402
Annotation	Vanillin
Peak:m/z	Relative Intensity
64.61851	0.3
65.00327	0.2
67.01883	0.3
69.03465	0.2
79.01910	0.4
89.73975	0.3
89.88664	0.2
95.01368	1.3
97.03019	0.3
108.02181	8.0
109.02505	0.3
120.87877	0.3
123.04518	0.6
136.01671	100.0
137.02003	4.9
151.04024	7.3
158.74513	0.2
165.50621	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0402
Annotation	Vanillin
Peak:m/z	Relative Intensity
60.27921	1.0
63.02385	2.4
65.00316	2.4
71.31007	1.5
76.90605	0.9
79.47241	1.0
83.01370	1.2
91.01891	3.0
92.02695	4.0
95.01394	20.8
104.70351	1.2
107.01385	1.3
108.02188	18.1
108.04604	1.5
122.03743	4.4
123.00883	2.3
123.04542	3.0
131.33878	1.0
136.01672	100.0
137.02045	5.6
151.04018	90.0
151.07668	1.8
152.03531	4.8
152.04451	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0401
Annotation	Methyl 4-hydroxybenzoate
Peak:m/z	Relative Intensity
50.20881	2.1
65.00330	4.7
69.04855	17.3
69.05262	5.2
71.01382	4.5
75.00911	5.2
75.02402	2.7
91.01907	99.1
92.02211	2.3
93.03465	41.6
95.01398	5.2
107.05051	9.4
108.02184	8.0
119.01401	22.1
121.02979	49.1
122.03763	3.1
123.04536	8.4
136.01662	50.4
136.02641	4.0
151.04025	100.0
152.03542	7.1
152.04552	3.3
153.43477	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0766
Annotation	2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Peak:m/z	Relative Intensity
59.29342	1.3
60.25650	1.5
65.00355	1.9
70.96960	2.4
73.89758	1.5
77.85410	1.3
83.01356	1.4
104.10153	1.5
107.05064	4.0
108.02190	4.3
109.02972	4.4
109.06626	3.3
122.03777	3.0
123.04544	6.6
125.06090	16.1
135.04559	5.6
136.01675	28.2
136.05318	44.1
137.05664	2.6
150.06876	2.2
151.04112	7.4
151.07669	100.0
152.03534	3.6
152.08034	5.7
168.04243	2.0
169.22440	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0117
Annotation	4-Chlorothreonine
Peak:m/z	Relative Intensity
55.02470	1.3
56.86233	1.3
68.97668	11.8
68.97916	2.1
74.91984	1.2
80.02680	13.4
98.22543	3.3
99.71004	1.3
108.02184	100.0
109.03070	9.5
110.00137	1.3
122.03772	1.7
124.01686	2.0
125.02477	1.8
134.64455	1.3
137.01973	2.3
138.67926	1.4
151.00391	1.4
152.01169	48.0
152.03543	4.1
153.01857	4.0
165.10536	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0355
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
57.42872	0.5
66.03484	0.9
68.99839	0.6
71.32120	1.0
71.32503	0.6
74.84960	0.7
78.03482	1.5
81.03489	0.6
107.03802	6.4
108.02166	3.1
108.04626	1.0
109.02972	16.7
110.00072	0.6
115.43322	0.5
121.02951	1.1
122.02424	1.3
122.03757	35.4
123.00914	1.3
123.04076	1.6
137.02000	1.7
152.03549	100.0
153.00845	0.6
153.01991	3.0
153.03934	5.0
174.75388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0355
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
52.18175	0.4
69.09042	1.8
69.09468	1.7
98.21945	1.4
98.22586	0.7
108.02201	0.4
109.02971	3.0
121.02956	1.5
122.03750	49.8
123.04070	2.4
137.02011	0.4
152.03546	100.0
153.01952	0.8
153.03911	5.2
170.34761	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0356
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
66.03491	5.5
70.50117	2.0
71.28960	2.9
81.03452	13.6
92.15567	2.5
108.02190	7.7
108.04585	9.8
109.02963	64.1
110.00185	2.5
110.02484	87.1
111.02806	4.4
122.03770	16.1
122.06128	2.4
123.04605	9.9
124.04049	4.0
136.00427	2.0
137.01939	4.6
151.00415	2.6
151.98813	2.5
152.03545	100.0
152.07184	8.0
152.93716	2.8
152.96840	3.2
153.01985	10.6
153.03935	4.7
153.05585	2.9
153.96774	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0195
Annotation	3,4-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
52.74427	0.5
58.13308	0.5
60.56343	0.5
65.03956	0.5
69.54002	2.3
80.96514	0.7
81.03466	2.6
83.01408	1.2
85.02953	0.6
91.01900	1.2
92.06609	0.5
95.01391	0.9
98.02543	0.4
107.01418	0.8
108.02185	11.1
109.02964	100.0
110.00105	1.4
110.03304	4.0
123.00921	1.3
123.04543	2.9
125.02445	0.9
134.78029	0.6
136.04073	0.6
137.27821	0.5
151.00362	1.1
153.01952	15.7
153.05611	0.8
154.01485	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83469	0.8
57.03452	6.4
57.88882	0.8
63.02399	2.5
64.07938	0.7
65.00330	16.4
67.01893	4.7
68.99819	15.7
70.93888	1.8
81.03473	2.6
83.01392	44.4
84.01733	1.5
85.02954	3.4
92.41582	0.7
107.01403	23.7
108.01688	1.3
109.02972	17.1
110.00098	1.1
111.00909	3.2
120.85335	0.8
125.02470	17.9
151.00380	75.0
152.00757	4.4
153.01950	100.0
154.02341	4.2
169.01457	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59293	0.5
51.89624	0.4
52.42140	0.5
54.99982	0.5
59.19791	0.5
65.00345	0.7
81.03461	1.1
83.01408	0.8
84.79174	0.5
85.21388	0.5
91.01891	1.2
95.98711	0.5
98.22532	1.6
108.02185	6.5
109.02962	100.0
110.03283	4.2
134.86678	0.6
140.74648	0.5
151.00388	1.2
153.01949	13.5
154.01382	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0195
Annotation	3,4-Dihydroxybenzoate
Peak:m/z	Relative Intensity
56.08625	1.0
57.03449	8.2
63.02396	4.7
65.00332	17.8
66.03473	1.1
67.01883	4.3
68.99823	13.9
70.81210	1.6
81.03476	6.8
82.03009	2.6
83.01394	57.1
85.02950	5.8
96.96034	1.3
107.01398	22.6
108.02234	1.9
109.02962	39.0
110.00140	3.0
110.03258	1.4
111.00917	6.2
115.56474	1.1
123.00928	3.1
123.04543	9.1
125.02450	23.1
139.00363	5.8
151.00383	71.3
152.00703	3.2
153.01947	100.0
153.05571	3.5
154.01302	2.2
154.02362	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0195
Annotation	3,5-DIHYDROXYBENZOIC ACID
Peak:m/z	Relative Intensity
57.03449	1.9
57.91502	0.7
63.02409	1.5
65.00330	6.5
66.03478	0.8
67.01897	2.0
68.99818	5.6
70.66685	2.0
72.82071	0.7
81.03468	4.4
83.01392	20.1
85.02955	1.4
90.38560	0.7
90.77682	0.9
91.01904	1.4
96.96018	18.6
107.01400	9.4
107.74360	0.7
108.02196	8.4
109.02962	100.0
110.00102	1.3
110.03254	3.3
111.00898	1.8
121.53310	0.8
123.00911	1.8
123.04555	2.0
124.01671	0.9
124.04021	0.7
125.02456	7.9
132.91422	0.8
139.22339	0.8
151.00377	26.0
152.00706	1.5
153.01952	48.9
154.01375	1.6
154.02455	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0196
Annotation	3,4-Dihydroxybenzoate
Peak:m/z	Relative Intensity
50.92081	0.7
61.98825	1.3
62.24553	0.7
65.03967	15.2
67.01909	6.5
67.37990	0.8
70.60517	0.9
70.60828	1.7
72.40484	0.7
82.02998	1.4
83.01361	1.0
91.01911	5.1
95.01403	1.1
108.02180	1.0
109.02961	100.0
110.00103	1.3
110.03284	4.5
123.00905	2.4
124.01711	1.1
125.02440	1.5
135.00896	23.6
135.90192	0.7
137.99606	0.8
153.01945	50.6
153.86879	25.1
154.01311	1.3
154.02405	1.3
173.02669	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0558
Annotation	3,4-Dihydroxyphenyl ethanol
Peak:m/z	Relative Intensity
65.00346	0.7
66.03476	2.5
69.79283	3.0
81.03466	1.8
83.01375	1.1
93.03445	1.1
95.01387	0.9
95.05040	2.5
108.02164	1.2
109.02966	10.4
110.00143	0.7
118.79419	0.6
121.02977	0.8
122.03721	3.0
123.04534	100.0
124.01682	0.8
124.04042	6.0
124.04880	5.8
125.02483	0.9
135.04533	0.7
136.04057	2.3
137.02516	1.0
138.42615	0.6
139.00343	0.9
151.00410	1.6
152.18825	0.6
153.01965	4.3
153.05586	12.6
154.01453	1.6
154.02612	0.6
154.05083	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0924
Annotation	Levodione
Peak:m/z	Relative Intensity
57.96900	6.3
58.93320	5.9
62.77363	6.0
65.00332	17.1
65.87476	6.2
69.31559	13.8
69.31961	48.7
70.57908	6.1
73.02922	8.4
78.75523	7.7
81.03445	7.2
83.01402	7.5
88.04062	6.2
92.41724	6.7
95.01382	6.5
98.08726	5.7
99.49516	6.6
104.17266	6.6
109.02970	100.0
110.00087	7.0
123.00885	8.2
125.02408	7.0
151.00388	11.9
153.01967	33.0
153.09247	53.9
154.01450	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
68.27483	2.3
69.45090	2.0
69.70770	11.4
81.03460	3.0
82.02982	7.0
83.01403	6.1
83.05033	6.6
85.90366	1.9
93.03465	29.2
95.05027	18.3
96.96048	2.3
110.03316	7.4
111.04527	3.3
113.06141	2.0
122.55338	2.0
124.01685	4.3
127.93143	3.3
137.02470	2.1
139.04024	100.0
140.04341	2.8
153.86887	29.5
154.01433	15.3
154.06357	20.0
154.86888	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79474	0.4
54.69503	0.5
55.01871	1.9
59.01389	0.4
65.03963	3.3
66.46728	0.4
67.01908	0.5
69.03452	0.4
70.67403	0.6
70.67738	1.0
71.01387	0.7
75.02390	1.2
81.03463	6.5
83.01383	1.1
83.05036	13.7
93.03466	100.0
94.03799	4.7
96.96005	0.9
109.02932	0.9
111.00901	1.0
111.02016	0.9
111.04527	8.9
137.02467	4.5
138.02782	0.5
149.56631	0.4
155.00223	1.1
155.03484	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
65.03970	3.1
66.45281	0.4
70.65559	1.0
71.01375	0.8
75.02400	1.2
75.84437	0.5
81.03469	5.8
81.97849	0.4
83.01383	0.8
83.05038	12.7
93.03468	100.0
94.03791	4.2
109.02958	1.2
111.00795	0.6
111.04527	8.5
126.50097	0.4
137.02466	5.6
155.03497	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59143	3.0
58.89667	2.4
69.01006	2.8
69.05979	29.3
73.02946	9.2
93.03462	15.9
98.21822	6.6
111.04565	4.1
116.80577	2.6
133.42595	2.6
136.05861	3.0
137.09715	8.3
147.79727	2.5
155.10794	100.0
156.11073	5.4
169.32251	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.108
Annotation	60046-50-6
Peak:m/z	Relative Intensity
66.88044	2.7
71.30868	2.6
71.31207	3.1
73.02933	8.5
93.03458	10.9
96.20951	2.3
117.65442	2.4
137.09731	4.0
155.10786	100.0
156.11104	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.108
Annotation	60046-50-6
Peak:m/z	Relative Intensity
62.45942	1.7
69.37420	4.0
69.37821	9.3
72.90961	1.7
73.02948	7.6
75.53734	1.5
76.67690	1.6
93.03465	5.0
95.13711	1.9
98.21854	2.8
104.34361	1.9
115.12297	1.6
116.83725	1.6
123.36147	1.8
137.09718	6.0
155.10797	100.0
155.86719	2.4
156.11124	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67856	1.2
55.01877	2.1
67.01888	2.3
70.07418	1.3
71.31922	2.1
73.02947	6.9
78.25771	1.2
83.01408	4.5
83.05029	3.0
83.52725	1.4
93.03465	12.0
111.00930	2.4
111.04535	3.0
112.32333	1.3
127.93147	5.1
131.66190	1.4
137.09752	5.5
154.86852	1.3
155.10794	100.0
156.11163	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.75684	0.4
60.01722	1.4
60.29115	0.4
61.01803	0.5
71.01390	0.6
71.28674	0.5
72.99315	0.4
73.01453	0.8
73.02949	0.7
74.99416	0.7
88.05802	0.4
92.79696	0.4
99.92613	1.0
111.00928	0.4
115.02528	4.6
115.26724	0.4
116.92908	2.5
116.98685	1.1
117.00465	10.0
117.02288	0.5
117.95532	4.2
117.96223	0.4
118.00552	0.8
119.00237	0.5
150.37950	0.4
158.39700	0.4
158.84712	1.1
158.89328	0.5
159.01524	5.9
159.02869	0.5
159.89493	0.4
159.96669	0.8
160.01646	0.8
160.04126	0.4
161.01222	0.4
172.69905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0664
Annotation	3-Methyladipic acid
Peak:m/z	Relative Intensity
59.01378	1.0
69.03458	0.6
69.18170	1.4
69.18562	4.7
71.01389	1.1
73.02953	1.7
81.03468	2.6
83.05034	1.6
95.05034	22.8
97.06597	100.0
98.06921	5.4
99.52106	0.6
99.92592	5.9
101.02444	0.7
114.94946	3.1
115.07661	60.0
116.07974	1.8
116.92878	16.0
116.93715	1.0
117.92915	1.3
129.01938	1.0
141.05597	3.0
156.30971	0.7
158.48320	0.6
158.93929	1.7
159.03229	1.0
159.04651	3.0
159.06639	24.5
160.07005	1.7
167.96043	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0615
Annotation	D-Alanyl-(R)-lactate
Peak:m/z	Relative Intensity
56.05045	0.7
57.03450	6.9
58.02976	4.1
59.01378	9.8
60.99299	0.5
70.02982	1.2
71.01385	8.0
71.05016	1.6
71.29166	0.8
72.99310	1.2
73.02950	3.2
74.02480	12.1
75.00849	0.4
81.03471	1.0
83.01382	1.0
84.04553	21.0
85.02955	6.2
85.04892	0.6
86.02451	0.9
86.06120	1.4
86.61596	0.5
87.00883	7.3
88.04047	100.0
89.02459	1.2
89.04396	2.0
93.86095	0.5
95.01398	0.6
98.02486	3.4
98.03246	0.7
98.06116	8.4
99.00898	0.7
99.04517	3.1
101.02474	2.5
103.92040	0.9
112.04044	1.7
113.02447	0.8
116.03587	2.3
117.05619	1.0
117.95509	0.7
118.05126	5.8
119.05441	0.5
128.03560	0.6
130.05107	17.3
131.03494	1.7
131.05472	0.6
133.03004	0.8
134.40298	0.5
142.89148	0.8
143.03506	1.2
143.88957	0.5
148.98828	0.5
150.50043	0.5
159.89409	13.1
159.90755	0.7
160.04114	0.9
160.06157	11.6
160.89290	8.1
161.04602	4.7
169.20351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0244
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
54.50123	0.5
59.01380	2.7
66.40837	0.6
69.09511	4.6
69.38127	0.5
71.01399	3.1
73.02947	1.5
74.48102	0.5
77.03978	1.1
77.65328	0.5
81.03458	0.6
83.01354	0.5
85.02953	3.6
87.00902	0.6
89.02472	0.6
89.03988	1.5
95.01431	0.6
102.35976	0.5
104.02689	0.8
105.03481	2.8
113.02508	0.6
115.01905	1.9
117.03516	0.9
131.03529	0.9
132.02188	11.3
133.02971	100.0
134.03310	4.9
159.07516	0.5
161.02463	54.3
162.02849	3.6
183.22266	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0457
Annotation	(1R,3R,4S,5S,8R)-2,6-dioxabicyclo[3.2.1]octane-3,4,8-triol
Peak:m/z	Relative Intensity
51.34075	4.3
55.01875	3.9
57.03440	14.6
57.36400	4.2
59.01381	43.1
63.02862	4.4
66.25078	4.3
69.03457	4.1
69.33429	31.5
71.01389	100.0
73.02961	22.8
75.00896	5.0
83.01393	15.3
85.02959	95.0
85.51291	4.0
87.00917	5.4
89.02463	7.3
95.01384	16.8
97.02984	4.5
98.22539	4.8
101.02435	7.2
105.73730	4.3
113.02448	30.6
117.03484	10.7
118.03042	5.2
129.10918	4.3
131.03519	10.7
133.02965	13.2
147.03284	9.5
161.02437	18.0
161.04581	29.0
161.05997	10.5
162.01988	12.2
162.05580	16.4
181.05185	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0457
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
51.38319	2.9
52.01608	3.1
55.01889	6.8
57.03449	34.7
59.01381	71.3
69.03474	7.6
71.01387	77.7
71.05025	29.8
72.99284	4.8
73.02954	37.5
75.00883	6.4
81.03471	7.1
83.01411	13.8
85.02956	63.6
86.03289	3.4
87.00884	49.2
87.04522	22.3
89.02462	4.6
89.04389	3.7
89.42469	3.4
94.53755	3.3
95.01398	8.8
97.02969	9.9
99.00906	6.3
99.04528	100.0
101.02449	81.6
103.92048	4.8
113.02470	14.5
115.04059	8.6
117.05598	11.8
125.02429	6.3
131.03513	9.7
133.02962	9.7
141.09077	3.1
141.57898	3.4
143.03522	45.3
158.75702	3.4
161.02464	14.5
161.04572	82.0
162.15050	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38319	2.9
52.01608	3.1
55.01889	6.8
57.03449	34.7
59.01381	71.3
69.03474	7.6
71.01387	77.7
71.05025	29.8
72.99284	4.8
73.02954	37.5
75.00883	6.4
81.03471	7.1
83.01411	13.8
85.02956	63.6
86.03289	3.4
87.00884	49.2
87.04522	22.3
89.02462	4.6
89.04389	3.7
89.42469	3.4
94.53755	3.3
95.01398	8.8
97.02969	9.9
99.00906	6.3
99.04528	100.0
101.02449	81.6
103.92048	4.8
113.02470	14.5
115.04059	8.6
117.05598	11.8
125.02429	6.3
131.03513	9.7
133.02962	9.7
141.09077	3.1
141.57898	3.4
143.03522	45.3
158.75702	3.4
161.02464	14.5
161.04572	82.0
162.15050	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96264	2.2
55.08907	2.9
56.23202	2.3
57.03453	100.0
59.01386	40.5
69.36716	4.2
69.37126	9.6
71.01383	15.0
72.99298	2.6
73.02961	7.5
85.02956	19.0
87.00888	3.8
89.02451	6.2
94.46173	2.3
98.21832	4.8
99.04530	88.2
100.04886	4.1
101.02450	30.6
102.02801	2.1
110.23039	2.0
113.02427	3.7
113.69340	2.1
119.95774	2.3
123.04528	3.9
131.03511	6.0
133.02977	7.8
159.84546	2.2
160.84218	12.8
160.89253	3.2
161.02483	24.5
161.04610	23.6
161.05965	5.2
162.01964	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
64.06365	1.2
71.01376	1.1
91.01920	1.3
93.03445	5.8
101.62393	1.2
107.70564	1.1
112.84454	1.1
119.05036	100.0
120.05363	5.7
135.04558	2.1
162.89299	1.2
163.00372	2.5
163.04034	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42146	1.3
69.84022	2.8
69.84433	3.5
72.10314	1.1
91.43041	1.1
93.03454	4.0
100.20649	1.1
102.80019	1.3
119.05036	100.0
120.05364	5.6
158.00162	1.3
163.04018	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23028	0.3
60.96643	0.4
63.02387	0.4
69.30554	0.6
69.30966	1.7
69.92209	0.4
81.09528	0.4
82.46770	0.4
91.01873	0.6
91.05548	1.4
93.03461	1.4
95.01384	1.8
108.02209	0.8
110.85030	0.4
117.03481	0.6
119.05034	100.0
120.02162	0.8
120.05360	4.4
121.02953	0.7
135.00893	2.3
135.04543	1.5
147.54367	0.3
162.89319	0.6
163.00369	6.8
163.04025	6.0
164.01163	3.9
164.04585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31233	0.4
73.02972	0.3
85.50848	0.2
91.01903	0.3
91.05536	0.2
91.10773	0.2
92.05065	1.8
93.03470	1.6
96.54965	0.2
119.05038	100.0
120.04557	3.4
120.05382	5.1
121.02996	0.2
135.04539	0.3
136.04059	0.7
147.04599	0.2
163.00375	0.6
163.02592	0.4
163.04016	6.4
163.06104	0.4
164.03499	0.3
164.85849	0.2
176.73183	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56344	0.2
57.56055	0.2
60.51075	0.2
70.68956	0.4
71.01353	0.2
73.39890	0.3
91.01919	0.4
91.05526	0.5
93.03455	1.6
117.03508	0.2
119.05037	100.0
120.04543	0.4
120.05368	5.6
121.03027	0.3
134.03735	0.3
135.00853	0.3
135.04546	0.4
135.05554	0.2
146.89203	0.2
147.04442	0.3
162.83907	1.3
162.90448	0.2
163.00410	0.8
163.04027	6.3
164.01190	0.3
164.04517	0.3
164.40584	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0614
Annotation	6-Deoxy-D-glucose
Peak:m/z	Relative Intensity
51.58220	0.7
57.03445	2.0
58.37384	0.9
59.01371	2.2
70.51009	2.0
71.01386	14.0
71.05014	3.7
71.64424	0.9
72.99293	1.8
73.02952	100.0
74.03267	1.4
75.00870	2.2
81.03450	9.6
83.01392	8.5
83.05020	4.7
84.02165	1.4
84.32423	0.8
85.02967	1.0
87.00890	2.3
87.04520	3.7
87.60459	0.9
89.02443	1.5
98.21899	1.0
98.22449	1.1
98.77451	0.9
99.04524	23.7
101.02428	4.1
109.02933	1.2
117.05581	2.1
119.05041	17.9
134.97089	1.7
143.03535	2.2
143.88542	1.0
145.05086	24.8
146.05441	1.1
162.89346	16.2
163.00386	1.1
163.04031	1.7
163.06134	35.9
164.06412	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15501	0.3
52.49311	0.3
57.03452	100.0
58.03792	1.5
58.45651	0.3
58.73060	0.3
61.27169	0.3
61.91248	0.3
66.92262	0.4
71.29676	0.4
71.30069	0.3
73.02956	0.4
93.03466	0.6
119.05042	10.7
120.05384	0.5
121.02987	0.7
131.02466	0.3
134.03760	0.3
135.04597	1.3
148.01680	0.6
149.02486	0.7
156.89717	0.3
163.00410	0.4
163.02907	0.3
163.04008	1.7
163.07664	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1123
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
52.58236	1.3
71.32346	1.4
98.21735	3.1
114.72215	1.7
116.92117	2.4
119.05006	2.2
151.45705	1.5
162.83934	12.5
163.11301	100.0
164.11656	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0718
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
63.23926	1.0
69.18624	7.3
72.00912	44.5
91.05542	2.9
92.99876	0.9
103.05547	3.6
118.06660	0.8
119.05042	2.2
120.05338	1.8
121.02949	3.9
127.06394	0.8
147.04535	100.0
148.04849	6.3
150.03270	1.5
164.07170	40.7
165.07454	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
63.30128	0.8
69.39525	3.9
69.39931	2.0
72.00911	45.6
75.00861	1.0
79.87453	0.8
91.05508	1.3
95.96493	0.8
98.21843	1.3
103.05533	2.9
119.05035	2.8
120.05389	2.7
121.02960	6.3
122.46889	0.9
125.35096	0.9
137.02463	1.1
147.04533	100.0
148.04866	5.4
149.02406	1.2
150.03262	1.2
164.07175	41.4
165.04092	0.8
165.07568	2.4
165.09215	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0718
Annotation	phenylalanine
Peak:m/z	Relative Intensity
59.01363	2.6
61.93693	0.9
72.00912	44.1
77.03976	2.0
91.05534	1.8
93.03469	2.1
97.02913	1.2
103.05565	2.0
104.98429	0.9
109.02948	2.2
115.03491	0.9
119.05042	4.2
120.05372	9.3
121.02962	23.3
121.03784	1.7
123.04514	0.9
135.04561	1.1
137.02448	8.0
147.04535	100.0
148.04892	6.1
149.02423	1.3
150.03204	4.6
164.01120	2.7
164.03445	1.2
164.07167	45.5
165.01945	6.7
165.05508	2.8
165.07474	3.5
165.09081	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0719
Annotation	Tricaine
Peak:m/z	Relative Intensity
65.00332	0.6
68.99823	0.3
69.44257	1.1
69.44687	1.1
75.00871	0.5
80.05069	3.6
80.58163	0.3
92.53464	0.3
92.99799	0.5
93.03468	1.0
103.30804	0.3
108.08217	2.2
117.03449	0.4
120.04561	1.4
120.05411	1.2
121.02974	9.0
121.04667	0.3
121.05353	3.2
124.04044	0.7
135.03258	1.2
135.04579	0.3
136.04030	2.7
136.07700	17.6
137.02467	1.0
137.04846	3.2
137.08029	1.0
147.04578	0.4
148.72972	0.3
149.04829	4.4
150.02098	0.6
150.03223	2.7
151.00572	0.3
152.03548	1.2
153.04327	2.8
164.03554	5.4
164.07181	100.0
164.83635	3.5
165.01910	1.4
165.04037	0.4
165.05475	0.4
165.07556	5.0
181.03839	5.8
182.04237	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.9351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26635	0.2
56.36089	0.2
64.11813	0.2
71.28669	0.3
71.29032	0.2
79.95756	0.4
87.00858	0.2
87.08265	0.2
96.96014	3.3
105.11650	0.2
120.94535	6.0
121.02985	0.7
121.94627	0.3
135.93370	0.2
136.94023	100.0
137.94093	7.7
138.94447	0.2
150.03294	0.3
151.92732	0.6
154.95100	0.4
164.93509	13.7
165.92981	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0192
Annotation	Piperonylic acid
Peak:m/z	Relative Intensity
51.89137	0.8
56.84479	0.6
58.89843	0.6
59.01384	3.1
65.03986	1.2
67.01903	3.4
68.99815	2.5
69.03452	4.3
71.01369	0.8
71.29012	1.0
74.85842	0.6
75.00864	3.4
77.03553	1.1
77.03969	11.4
79.01909	3.2
83.01392	11.1
87.00880	1.8
92.99806	1.7
93.03458	11.9
95.01393	2.8
97.02952	7.2
105.01948	1.2
108.02176	2.4
109.02962	14.4
118.95567	0.7
119.05032	3.8
121.02965	100.0
121.06561	1.6
122.03321	3.2
123.00882	1.7
123.04513	1.3
129.03476	2.7
135.04550	1.5
136.01711	0.9
136.05298	1.6
137.02455	85.5
138.03293	6.0
141.03691	0.6
147.04543	8.9
149.01001	2.8
149.02483	2.2
150.03242	7.3
151.00415	1.0
164.89612	0.6
165.01941	54.4
165.04149	2.1
165.05513	6.4
166.02672	3.4
166.05017	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0406
Annotation	L-Arabinonate
Peak:m/z	Relative Intensity
55.01875	2.3
57.03451	1.9
59.01379	9.8
59.16940	0.9
62.68276	0.9
69.49224	6.3
69.49564	1.5
71.01385	10.1
72.99318	8.3
73.02940	3.2
75.00878	77.1
87.00883	100.0
88.01199	1.4
89.02456	2.8
93.22353	1.0
96.22928	1.0
99.00885	12.9
101.02470	3.2
105.01942	70.4
106.02345	1.7
117.01955	4.6
121.02969	1.3
129.01930	6.9
135.03000	1.1
147.02992	9.4
165.04056	55.2
166.04411	2.9
174.80991	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0558
Annotation	Apocynin
Peak:m/z	Relative Intensity
60.80177	0.9
65.00317	1.9
68.78685	1.0
69.09261	9.6
72.98914	1.9
72.99315	36.1
91.05519	1.0
93.03465	2.0
101.03966	1.8
103.05531	2.1
119.05042	36.0
120.05368	2.0
120.93046	1.0
121.02973	15.7
122.03770	10.2
123.00885	1.0
137.02452	3.6
147.04538	99.6
148.04866	4.5
149.01009	1.7
150.03241	100.0
151.03557	3.5
165.02068	1.4
165.04178	2.5
165.05580	38.2
165.09212	1.1
166.01440	1.4
166.05058	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34756	0.2
65.07142	0.2
68.99528	1.7
72.99333	0.3
103.13417	0.2
119.05100	0.5
121.02966	1.8
121.10207	0.3
122.03754	11.9
123.04053	0.4
123.41253	0.3
132.03098	0.2
137.02451	0.3
147.04532	0.6
150.03236	100.0
150.85811	0.2
151.03564	5.6
151.88686	0.2
160.61806	0.2
163.07637	0.5
165.01936	0.3
165.05579	8.8
165.09224	4.7
166.04846	0.3
166.06081	0.3
166.09508	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35205	0.5
56.53291	0.7
59.01373	2.6
65.00329	2.4
66.03517	0.5
67.01894	4.1
69.49998	1.2
69.50410	1.7
71.01369	2.2
72.00920	2.5
72.99293	1.2
73.01250	0.8
75.00875	16.2
77.03971	2.2
78.95927	0.9
81.03445	1.0
87.00882	7.1
89.02440	0.7
92.99815	5.2
93.03468	4.9
94.02982	0.7
95.01397	0.9
98.21816	0.6
99.00871	1.0
101.02456	0.6
101.79778	0.6
105.01944	6.0
108.02172	0.9
108.04578	0.9
109.02969	7.5
121.02967	78.5
122.03857	5.5
123.00863	1.0
123.04572	4.1
123.05358	0.8
124.04027	0.6
129.01950	1.7
133.02931	1.0
135.03001	0.8
136.01653	1.7
136.05302	1.2
136.93993	0.9
137.02452	24.2
137.06059	1.3
138.03133	1.0
138.05644	1.2
147.03041	1.1
147.04486	0.9
148.04898	8.1
149.00964	3.5
149.02446	2.0
150.03238	100.0
151.00392	1.1
151.03584	4.4
154.02721	0.7
164.83595	2.8
164.89626	1.8
165.01955	11.2
165.04071	8.0
165.05571	9.0
165.07718	3.3
165.08835	0.8
166.01372	1.4
166.02673	1.2
166.05090	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66532	0.3
69.40124	0.6
69.40536	0.9
71.50597	0.3
72.99308	0.7
78.88642	0.2
93.03471	0.5
106.16923	0.2
108.02260	0.3
110.10912	0.3
119.05038	1.2
121.02968	2.7
122.03751	11.8
123.04063	0.4
133.12193	0.3
141.86621	0.3
147.04530	1.7
149.00948	0.4
150.03236	100.0
151.03572	4.7
163.07655	0.9
164.83583	0.4
165.01930	0.4
165.04181	0.6
165.05574	8.7
165.06909	0.5
165.09221	9.4
166.06039	0.5
166.09506	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.6
59.01374	2.4
71.29745	1.0
75.00866	3.8
77.03968	0.8
78.84720	0.6
93.03475	3.9
95.05010	2.9
96.65654	0.6
105.01916	0.8
106.04255	25.6
107.04560	1.2
108.02186	6.8
119.05029	0.9
121.02969	12.4
121.06612	9.0
122.06966	0.8
123.04551	3.1
128.52303	0.5
137.02481	0.7
138.03221	2.7
138.69955	0.6
144.43314	0.6
150.01089	0.6
150.03221	3.0
165.01918	1.3
165.03993	1.8
165.09221	100.0
166.05179	0.7
166.09537	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0511
Annotation	Orthoform
Peak:m/z	Relative Intensity
50.97861	0.4
51.52280	0.4
51.52878	0.3
53.70572	0.3
66.32829	0.3
69.08441	3.6
83.40796	0.3
93.03475	0.8
95.01414	0.8
108.02201	2.0
121.02966	14.0
122.03286	1.4
122.06096	0.5
123.00893	0.9
123.04547	0.8
124.98425	2.3
136.01678	0.7
136.05315	11.8
137.05663	0.4
138.01892	0.5
151.00418	1.0
151.02759	21.7
152.01202	2.6
152.03075	0.7
156.66006	0.4
157.29269	0.4
166.01378	2.1
166.05103	100.0
166.99657	0.4
167.03545	1.3
167.05466	4.4
183.01741	15.1
184.02046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.051
Annotation	4-Hydroxy-L-phenylglycine
Peak:m/z	Relative Intensity
52.93200	0.3
59.83178	0.3
81.03468	0.4
92.05074	1.0
93.03479	0.8
94.24041	0.3
95.01406	0.9
105.02223	0.4
107.07311	0.4
108.02156	3.0
118.02982	0.4
120.04552	0.6
121.02951	1.3
121.05335	3.4
122.02485	0.8
122.03321	0.9
123.00882	0.8
123.04549	1.0
124.04109	0.4
124.98428	1.6
135.04521	1.2
136.01649	0.7
136.05316	24.6
137.05695	0.8
151.00368	1.1
152.01164	4.7
165.83688	1.5
165.87643	0.3
166.05112	100.0
166.83321	3.0
166.99515	0.4
167.03561	1.7
167.05453	4.2
167.06917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0351
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
54.80080	0.4
57.69879	0.5
61.21256	0.4
61.38952	0.4
65.00326	1.6
67.01909	0.5
69.00263	0.4
69.21191	0.8
69.21591	2.5
77.91399	0.4
80.02690	1.7
81.03471	1.8
83.01393	1.3
84.41187	0.5
91.01907	5.1
95.01404	1.7
96.96041	0.7
97.02933	0.5
98.21826	1.0
107.44843	0.5
108.02186	57.9
109.02506	2.0
110.00097	1.1
111.00922	0.8
123.00895	1.7
123.04539	24.8
123.08176	0.6
124.01670	1.3
124.04845	1.1
124.98452	0.4
125.02448	1.3
137.99606	0.8
151.00398	0.6
152.01167	100.0
153.00554	0.8
153.01747	5.2
167.03503	19.1
167.07057	1.0
168.03859	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0351
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
59.17674	0.4
67.01900	2.1
68.99835	0.5
71.01371	0.6
71.30009	0.5
83.01385	2.7
95.01400	5.6
99.04487	0.7
99.14387	0.4
99.30696	0.4
107.01415	1.7
108.02183	9.2
111.00893	13.4
123.00900	7.1
123.04543	3.2
124.01673	11.4
124.98469	0.6
132.42125	0.4
133.29907	0.5
135.00900	1.1
136.01227	0.5
139.00383	4.1
139.03995	0.4
139.09129	0.4
152.01166	42.4
153.00539	2.9
161.61723	0.5
166.17897	0.4
167.03506	100.0
168.03851	6.0
179.35501	0.5
187.41541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0351
Annotation	Orsellinic acid
Peak:m/z	Relative Intensity
50.70134	0.4
54.60308	0.5
57.03451	1.9
59.01385	2.6
63.02409	0.9
65.00342	2.2
65.00656	0.4
67.01894	0.6
69.03441	0.5
69.06535	1.2
69.06954	2.0
73.65792	0.5
81.03461	22.3
82.03795	1.2
83.01395	8.9
95.01433	0.9
95.05031	2.7
97.02885	0.5
98.21801	1.0
99.04552	0.5
106.43938	0.4
107.01412	2.2
108.02197	3.6
117.13232	0.5
123.04536	100.0
124.04855	5.7
125.02455	7.6
149.02451	0.5
151.00337	3.8
152.01166	5.2
153.00624	0.8
167.03506	62.9
168.03894	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76050	0.8
69.78316	1.6
80.02665	2.2
81.03468	4.2
81.43902	0.7
81.52400	0.7
87.27502	0.7
93.14421	1.0
95.01383	0.9
95.05019	1.4
97.02938	2.1
98.22478	1.6
99.04514	4.8
108.02182	57.4
109.02488	1.4
113.48414	0.8
123.00893	1.7
123.04542	13.8
124.01698	1.2
130.08611	0.8
139.03998	2.0
152.01164	100.0
153.01582	4.1
167.03511	18.6
168.03941	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89418	0.5
51.24558	0.5
57.65564	0.5
69.78190	2.4
77.79304	0.5
80.02688	1.5
81.03439	1.1
89.86813	0.5
91.01913	0.5
95.01399	0.7
97.02951	0.7
98.21857	0.9
99.04517	1.5
99.71661	0.5
103.09631	0.5
106.89491	0.5
108.02180	58.8
109.02515	1.8
119.34223	0.5
123.00893	1.2
123.04540	11.9
133.42725	0.5
139.04021	1.3
152.01163	100.0
153.01540	4.6
167.03503	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0715
Annotation	2-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione
Peak:m/z	Relative Intensity
51.41714	1.0
55.01873	1.2
57.22878	0.9
69.01586	8.8
69.03471	1.4
81.03458	1.2
81.71613	1.1
82.95382	1.3
83.01379	2.4
83.05043	1.5
85.02931	1.1
91.01916	1.4
92.59251	1.2
95.01398	4.7
97.02987	1.2
97.06583	1.8
107.05057	2.1
108.02191	21.3
109.02975	2.0
123.00905	5.3
123.04553	11.5
124.01678	1.2
124.98422	7.2
125.06087	1.9
132.86835	2.5
137.02399	1.4
138.03215	1.9
139.04039	2.5
139.07661	32.9
140.07980	1.9
149.06055	2.3
152.01161	35.2
152.04791	9.3
153.00644	16.5
153.01697	1.1
155.07138	1.0
166.83310	10.7
166.90900	1.3
167.03503	12.4
167.07146	100.0
167.87144	5.1
168.03052	4.0
168.07497	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62146	0.3
69.03454	0.8
69.21909	2.2
79.01910	0.5
87.70345	0.3
95.01399	4.3
97.02976	0.4
98.22588	0.4
101.06094	0.3
109.01698	0.8
116.15766	0.3
119.50700	0.3
123.00896	20.8
124.01255	1.1
125.02423	0.7
153.00690	100.0
154.01048	4.0
166.23480	0.3
166.74069	0.3
167.87192	0.4
168.03033	13.0
168.04486	0.6
169.01427	0.4
169.03525	0.3
169.12387	0.5
182.04364	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	100.0
59.03300	1.5
61.40226	1.3
95.01417	3.5
95.98824	1.2
97.02969	1.9
98.21735	2.9
123.00877	5.6
125.02449	12.1
125.98544	3.4
132.86778	10.5
141.02077	1.3
153.00679	31.3
161.60060	1.5
167.87190	2.3
168.03056	4.8
168.13922	4.2
169.01411	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0507
Annotation	AC1OCV3S
Peak:m/z	Relative Intensity
67.01881	1.0
69.03477	1.2
71.57412	0.5
76.12295	0.6
83.01400	1.7
95.01395	0.7
97.02982	1.4
98.29482	0.7
107.05047	1.0
111.00889	27.7
123.04533	5.4
125.02457	8.0
125.06097	3.6
125.09715	1.2
126.90396	1.6
128.07190	1.3
128.36961	0.6
134.86563	1.2
139.00383	100.0
140.00760	4.3
149.25458	0.6
153.01956	2.5
154.02728	38.6
155.03061	1.5
168.83626	5.3
168.88950	0.7
169.01445	2.3
169.03845	3.6
169.05119	3.0
169.06345	1.4
170.01883	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1028
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
59.01379	6.6
61.98829	11.3
75.40395	1.8
92.84521	1.8
96.96016	3.5
98.22524	5.0
99.92598	36.1
109.02972	2.5
115.92065	6.0
125.09696	3.2
126.88132	3.2
127.07681	7.3
127.11316	6.2
128.90106	3.4
134.86574	7.1
136.86279	6.9
143.00087	2.0
144.04604	4.2
162.25206	1.9
170.88396	6.2
171.02008	24.7
171.10298	100.0
171.13933	7.3
171.86491	2.3
171.91066	7.2
172.04036	2.6
172.10670	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1028
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
58.51046	0.7
69.10307	4.2
69.10715	1.1
125.09727	3.2
127.11298	6.1
153.09216	2.6
171.10287	100.0
172.10632	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0981
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
52.17924	0.5
58.02973	1.0
59.01381	0.9
59.78221	0.3
67.01893	3.1
69.03453	0.7
69.11369	1.7
69.11800	1.7
70.09881	0.3
71.01376	1.7
73.02950	2.8
81.03466	0.8
83.05038	2.0
85.02967	1.3
93.03465	18.9
99.00895	0.9
99.04534	1.8
109.02923	0.6
111.00906	2.0
111.04533	3.8
111.08183	0.4
113.60408	0.4
128.07986	0.5
128.10828	2.6
130.08749	100.0
131.08255	0.4
131.09151	2.9
137.02454	1.4
144.04561	1.2
155.03526	1.1
172.04054	0.5
172.09805	10.3
172.11230	0.7
173.04567	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0456
Annotation	Shikimic acid
Peak:m/z	Relative Intensity
55.01865	4.2
57.03456	2.3
58.00594	1.6
59.01377	1.3
65.03967	4.5
69.03450	3.4
70.65815	1.1
70.66158	2.1
71.01387	10.9
71.05022	1.5
73.02952	49.6
80.82510	0.8
81.03465	8.1
83.04535	1.3
83.05035	22.2
85.02967	9.8
93.03465	100.0
94.03802	3.7
99.00888	11.7
99.04527	15.4
102.17016	1.0
109.02981	2.5
111.00873	1.8
111.04527	34.2
112.98789	2.1
114.25097	1.1
129.01973	3.9
137.01476	1.8
137.02457	24.3
142.99869	4.3
143.03510	3.8
144.92923	1.0
155.03520	10.6
173.04550	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43953	0.7
53.60289	0.7
55.01874	3.7
57.03439	2.3
58.00587	2.7
59.01375	2.0
65.03961	2.5
69.03452	3.0
70.46033	1.6
71.01385	12.3
71.05014	2.1
72.99292	1.0
73.02954	52.9
74.03284	1.2
81.03453	7.5
83.01411	1.1
83.05031	21.1
84.02176	0.8
85.02955	9.3
93.03467	100.0
94.03813	3.5
99.00890	15.3
99.04530	14.7
101.02436	1.5
109.02982	2.2
111.00879	1.5
111.04533	32.0
112.04845	0.9
112.98823	1.9
120.34857	0.7
124.98827	2.2
129.01955	3.2
129.05647	1.1
137.02455	24.0
138.02739	1.0
140.85558	0.8
141.27451	0.9
142.53238	0.7
142.99921	5.4
143.00856	1.0
143.03503	3.5
155.03517	5.9
173.04547	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.8
55.18257	1.0
57.03452	2.6
58.00609	1.1
59.01385	2.2
65.03970	3.2
69.03455	1.8
70.11108	3.6
71.01389	11.3
71.05010	1.4
72.99328	0.8
73.02950	52.9
74.21282	0.8
79.43095	0.7
81.03471	6.9
83.05033	21.5
85.02954	9.6
89.11229	0.9
93.03466	100.0
94.03807	3.4
99.00893	14.2
99.04535	17.8
101.02478	1.1
104.36786	0.8
109.02971	1.5
110.94337	0.8
111.00913	1.3
111.04530	30.8
112.28662	0.9
112.98831	2.4
119.29504	0.8
124.98873	1.7
129.01927	4.3
137.02458	22.3
142.98888	1.0
142.99857	5.2
143.03511	4.6
151.20520	0.9
155.03526	8.7
173.04565	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0613
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
52.67505	0.5
53.07926	0.5
55.47871	0.5
57.03447	0.7
59.01382	21.0
60.07430	0.4
69.03463	0.9
70.38761	0.8
70.39085	0.9
71.01400	0.9
75.83157	0.6
85.06597	45.3
86.06914	1.0
87.00864	0.8
87.04527	2.3
93.03455	0.7
98.22395	0.6
100.98627	0.5
101.90346	0.6
113.06100	40.0
114.06454	1.3
115.04021	100.0
116.04329	3.3
129.05585	1.9
129.09238	0.6
131.07155	7.0
132.98206	2.7
135.04507	2.7
142.37613	0.6
142.93674	0.6
146.92169	0.5
147.04556	1.7
157.05064	8.0
167.82018	0.5
174.03252	0.6
174.82858	0.9
174.88913	1.0
174.99214	0.9
175.04031	2.8
175.06134	41.7
176.03557	0.8
176.06451	1.6
179.03528	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.8
67.01904	6.1
69.03445	2.2
69.48103	3.2
71.01392	1.1
79.82073	0.7
81.03454	3.8
83.05031	3.0
85.02950	6.1
87.00873	5.6
89.03954	0.7
93.03465	18.9
94.03794	0.9
95.01394	0.8
95.05038	1.3
99.04498	0.8
105.03471	4.7
107.05007	1.2
108.02173	4.1
109.02970	7.7
111.04507	4.5
117.03495	0.9
117.05537	0.7
121.02914	1.2
127.03986	1.2
129.01945	2.8
133.02962	11.1
133.06677	0.7
134.03737	5.9
135.04535	100.0
136.04861	6.9
137.02461	2.3
149.02370	1.5
155.03546	1.2
161.02408	2.6
162.03209	1.7
176.04057	7.6
177.01947	4.1
177.05598	2.0
177.80251	0.6
178.02725	1.6
179.03506	67.5
180.03889	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0195
Annotation	6,7-Dihydroxycoumarin 
Peak:m/z	Relative Intensity
69.40456	1.3
69.40866	0.8
77.03951	1.2
80.22807	0.3
81.03462	2.5
88.00067	0.3
89.03977	11.2
90.04306	0.5
93.03457	2.4
94.90649	0.3
95.05025	1.2
98.21782	0.8
105.03470	16.6
106.03790	0.6
107.01395	1.1
109.02945	0.5
121.02946	1.3
133.02969	32.3
134.03253	1.6
134.71942	0.3
136.37192	0.3
139.04030	0.5
148.01642	0.4
149.02455	6.1
149.06100	0.4
162.03256	0.6
177.01939	100.0
178.02272	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0194
Annotation	6,7-Dihydroxycoumarin 
Peak:m/z	Relative Intensity
61.01108	0.3
65.03932	0.4
67.23499	0.3
71.26776	0.5
77.03959	0.8
81.03451	2.2
89.03976	9.3
90.04309	0.5
93.03452	1.7
95.05022	1.2
105.03470	15.9
106.03808	0.7
107.01370	0.7
119.16085	0.3
121.02978	1.6
126.95615	0.3
133.02968	29.8
134.03339	1.3
139.04030	0.9
147.38765	0.3
149.02440	5.1
162.03226	2.2
169.24585	0.3
177.01938	100.0
178.02292	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0339
Annotation	Cys-Gly
Peak:m/z	Relative Intensity
55.25175	1.9
58.02982	38.0
58.81533	1.8
59.01362	2.8
59.82250	1.8
74.02483	100.0
87.05630	11.6
90.00192	2.6
97.04101	3.3
99.05651	47.3
105.03456	2.5
111.58836	1.9
131.04648	22.9
133.02943	7.5
133.06639	2.7
143.04639	81.7
160.00740	4.1
162.03252	5.8
177.01897	7.6
177.03419	14.7
177.05595	2.7
177.09192	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0558
Annotation	4-Hydroxy-3-methoxycinnamaldehyde
Peak:m/z	Relative Intensity
63.33257	0.3
66.44820	0.4
69.16602	1.4
69.17017	2.3
73.59119	0.4
106.04268	0.8
120.02167	1.1
133.02997	1.4
134.03764	5.0
161.02493	1.6
162.03241	100.0
163.03577	4.7
177.01993	0.9
177.05557	8.6
177.09169	0.4
178.05913	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27036	0.2
50.77768	0.2
54.02690	0.2
66.67796	0.2
69.22338	0.8
69.22758	1.0
78.41271	0.2
98.21770	0.5
119.93758	0.6
134.96101	34.0
135.96176	2.7
136.94022	100.0
137.94096	7.1
151.92729	15.9
152.92870	1.3
154.95064	0.3
178.95071	51.0
179.95203	4.1
196.96136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0346
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
57.55853	0.4
59.01374	2.1
70.48666	0.8
70.49017	0.6
71.01379	1.2
73.02924	0.7
85.02946	0.6
87.00888	4.7
89.02473	0.5
89.03963	1.2
91.05531	0.7
93.03476	0.4
97.02979	0.4
99.00886	1.1
101.02461	0.5
106.04250	0.9
107.05027	3.1
108.02209	0.5
115.07522	0.4
117.01944	0.7
117.03452	0.8
121.02971	1.4
125.02499	0.8
134.03757	14.1
135.04536	100.0
136.04865	4.9
161.04578	3.1
164.04811	1.5
179.03497	11.1
179.05598	2.5
179.10727	0.4
179.81546	0.4
180.03827	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29697	0.3
52.15832	0.3
57.03440	0.4
59.01379	2.9
63.02409	0.4
65.00336	0.4
69.03462	0.4
70.41596	0.7
71.01385	2.5
73.02951	0.7
75.00883	0.4
83.01374	0.6
85.02984	1.7
87.00879	7.2
89.02471	0.7
89.03970	0.5
91.05549	0.3
93.03485	0.5
95.01416	0.5
97.02943	0.6
99.00896	2.3
101.02464	0.8
107.01450	0.5
107.05018	1.9
109.02980	0.4
113.02456	0.4
117.01951	1.2
117.03470	0.7
121.02966	0.5
125.02450	0.9
129.84030	0.3
133.02934	0.3
134.03761	7.0
134.96185	0.3
135.04536	100.0
136.04869	3.8
146.03714	0.4
150.03239	0.8
151.00348	0.5
154.43851	0.3
159.03030	0.4
161.04573	3.9
164.01170	0.6
164.04781	0.7
178.99924	0.6
179.02330	0.5
179.03522	12.8
179.05608	3.5
179.07124	1.0
180.03960	0.5
180.06697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0349
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
52.41955	0.4
57.03430	1.7
59.01379	3.6
62.66384	0.5
63.02401	7.3
65.00330	2.5
65.03966	3.4
67.01889	2.6
68.99804	0.8
69.03462	2.5
71.01383	5.7
71.28991	0.7
72.99323	0.5
73.02938	1.8
75.00897	1.0
81.03451	1.3
83.01389	11.4
83.05033	3.8
85.02956	3.3
85.03400	0.6
87.00885	14.7
88.11285	0.5
89.02458	1.3
91.05525	1.9
92.81036	0.5
93.03473	7.6
94.03044	0.6
95.01399	14.4
96.02205	2.5
97.02955	1.1
99.00893	3.5
100.02146	0.4
101.02448	1.4
107.01410	7.4
107.05035	11.2
108.02193	2.3
109.02962	8.4
110.32359	0.5
111.00888	0.9
111.04524	9.0
113.02460	1.1
117.01970	2.7
117.03473	0.7
117.34616	0.5
120.02184	7.1
120.13282	0.5
120.96216	0.4
121.02984	1.0
125.02449	1.8
125.75657	0.6
130.81310	0.6
134.03749	2.9
135.00859	1.0
135.04538	45.6
136.01636	0.8
136.04872	1.7
136.07669	0.7
137.02455	19.1
137.79474	0.5
138.23038	0.5
141.01939	1.1
151.00383	9.4
151.04015	21.6
152.00761	0.8
152.04443	1.1
159.03011	0.6
161.02386	0.6
161.04555	6.1
163.00369	2.1
164.01164	100.0
164.04840	2.1
165.01492	4.4
169.01431	3.7
178.99951	6.6
179.03513	49.7
179.05609	7.1
180.03969	2.3
180.05908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0562
Annotation	myo-Inositol
Peak:m/z	Relative Intensity
55.01883	1.1
58.00577	1.0
59.01382	27.9
69.03455	1.8
69.39426	4.6
71.01389	26.5
71.04990	2.4
72.99313	9.7
73.02959	10.5
75.00879	100.0
76.01227	2.0
81.03461	6.2
83.01382	2.7
85.02950	9.6
86.14414	0.8
87.00882	33.6
89.02447	8.4
95.01431	1.1
97.02953	3.4
99.00889	13.6
99.04504	2.0
101.02446	5.1
112.38399	0.8
113.02416	2.1
117.01947	4.4
119.95724	0.9
125.02425	4.5
131.03522	1.3
132.70242	0.8
133.99202	0.9
137.16342	0.9
141.01968	2.4
143.03517	9.6
157.02893	0.9
159.02901	1.0
161.04568	19.5
162.04916	1.0
168.87192	1.0
177.04068	1.0
179.05618	48.0
180.05952	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0562
Annotation	Sorbose, L-
Peak:m/z	Relative Intensity
52.54003	0.6
57.03454	1.1
58.00582	2.9
59.01382	52.0
63.02392	2.1
66.32091	0.7
71.01388	34.7
71.29755	1.2
72.01707	0.8
72.99300	3.9
73.02948	1.2
75.00862	1.0
78.95896	1.8
83.01399	2.8
85.02962	6.9
87.00888	12.9
89.02449	15.3
89.02969	1.3
93.03419	0.8
95.01419	2.6
97.02977	1.3
97.45644	0.6
99.00903	3.6
101.02439	4.8
107.01398	2.4
107.05051	3.0
113.02461	4.4
117.01976	1.8
119.03524	2.0
121.02972	1.1
123.04575	0.8
125.02433	1.7
134.03745	8.3
135.04538	100.0
136.04874	4.4
136.07690	1.3
137.02509	0.8
141.01952	0.9
146.03752	3.3
149.06097	2.9
151.00398	2.7
151.04112	1.0
161.04590	6.4
162.05615	1.0
164.01169	2.6
164.04829	2.3
169.01363	0.7
178.99911	1.7
179.03531	13.5
179.05615	7.0
179.07095	1.4
179.10730	0.9
191.89859	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0562
Annotation	551-68-8
Peak:m/z	Relative Intensity
55.01878	3.2
57.03422	3.6
58.00597	5.6
59.01381	89.1
63.02391	6.0
64.17573	2.8
65.00330	5.3
65.32296	3.3
69.03441	4.7
71.01389	65.6
71.31631	6.3
71.32004	4.3
72.99306	8.8
73.02953	9.2
75.00880	22.8
76.44207	3.0
83.01395	10.5
84.18739	3.7
85.02952	24.0
85.42229	3.2
87.00885	65.5
89.02451	30.0
91.05561	4.2
97.02957	6.6
99.00872	14.3
101.02455	12.1
107.01421	6.8
109.02968	7.2
113.02464	5.0
117.01942	7.8
121.02953	6.7
125.02489	5.0
131.12512	3.8
135.04547	100.0
135.08183	22.6
141.01889	3.8
146.03734	11.9
151.00374	9.5
151.03947	3.6
155.73994	3.5
161.04596	30.9
161.05809	5.7
164.01163	9.7
164.04799	8.2
169.01407	5.3
178.99825	10.6
179.03494	11.4
179.05615	39.9
179.07127	13.7
180.02953	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0563
Annotation	Sorbose, L-
Peak:m/z	Relative Intensity
58.00581	6.6
59.01384	100.0
69.20790	7.9
69.21194	29.1
71.01387	67.4
71.77162	4.3
72.99317	7.9
73.02943	5.0
83.01408	5.9
85.02966	12.4
87.00887	48.4
89.02464	32.5
91.01993	4.5
95.01424	5.2
95.33656	5.0
98.21816	9.4
99.00890	8.1
101.02454	10.2
113.02464	10.2
125.02480	7.1
135.04553	7.7
151.00368	9.3
161.04578	18.5
164.01247	4.7
164.04805	13.5
179.05612	15.0
179.07086	5.5
186.99525	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0562
Annotation	Sorbose, L-
Peak:m/z	Relative Intensity
54.58556	2.4
55.79795	1.9
56.45390	2.1
57.03440	9.2
58.00586	4.4
58.87440	2.0
59.01384	100.0
65.94164	2.0
71.01385	71.0
72.99311	7.8
73.02945	3.0
83.01414	3.6
85.02942	8.1
85.99649	1.9
87.00874	11.8
89.02458	33.2
89.07899	2.2
95.01401	3.2
101.02433	8.2
107.01455	2.4
113.02435	8.1
121.02972	6.1
134.03705	5.8
135.04535	83.3
136.04803	3.0
151.00394	3.8
161.04588	6.2
179.03517	12.5
179.05620	4.4
179.07048	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.6
58.90004	0.7
59.01091	0.9
59.01381	14.3
61.05486	0.6
63.02398	1.4
65.00327	0.6
65.44033	0.6
69.03453	1.4
71.01386	11.6
72.99288	1.8
73.02940	2.6
75.00877	2.8
76.21738	0.6
78.95911	2.2
81.03464	1.4
83.01385	2.8
85.02956	5.6
87.00880	26.3
89.02458	4.1
92.40397	0.6
93.03456	3.2
93.05429	0.9
95.01382	1.3
96.96045	1.1
96.96944	1.1
97.02949	2.4
98.27366	0.6
99.00885	7.8
101.02456	4.4
107.01398	1.1
107.05010	2.4
107.71529	0.7
108.02195	0.8
109.02955	3.2
113.02438	1.6
117.01947	3.7
118.99324	1.2
121.02966	64.6
122.03263	1.3
123.00858	0.8
124.37061	0.8
124.83237	0.7
125.02444	3.5
134.03777	3.5
135.04541	31.4
135.06459	1.0
135.08153	1.5
136.01675	1.4
136.07686	1.4
136.44392	0.8
136.94029	1.9
137.02461	2.5
139.04037	1.3
141.01981	1.5
141.50691	0.8
149.02477	5.1
151.00352	0.9
151.04019	2.5
151.07620	1.4
159.03053	1.2
161.04588	13.0
164.01114	2.1
164.04805	100.0
165.05156	4.8
177.03978	0.8
178.81483	0.8
178.99870	1.5
179.03552	6.9
179.05609	16.2
179.07153	10.5
179.10725	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31312	0.7
53.20061	0.5
57.03449	20.0
59.01381	2.3
60.99306	0.6
63.02387	1.5
69.03792	4.7
70.68950	0.6
71.01404	2.3
83.01350	1.1
85.02972	0.8
87.00872	4.1
89.02422	0.8
90.43301	0.6
91.01909	0.9
99.00893	1.2
107.01415	1.2
109.74689	0.5
117.01969	0.7
121.02985	0.6
125.02337	0.5
133.06635	0.6
133.14265	0.5
135.04590	4.5
135.08176	100.0
136.08496	3.6
151.00374	2.8
153.09209	1.4
161.04541	2.8
169.01439	0.8
178.99944	0.8
179.05737	3.3
179.07144	56.4
179.10626	2.0
180.07610	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0715
Annotation	Adriadysiolide
Peak:m/z	Relative Intensity
52.64233	1.3
52.64987	1.4
57.03455	2.1
59.01388	22.2
60.99285	2.6
63.02385	2.7
69.03435	2.9
69.71454	3.0
69.71831	3.9
71.01385	14.8
73.02945	2.8
83.01376	2.0
85.02934	7.0
87.00885	27.2
89.02437	5.8
91.17639	1.4
92.74917	1.6
93.03466	3.2
97.02938	3.9
99.00891	8.1
101.02452	4.1
101.04003	1.9
105.07092	2.8
107.01389	2.9
113.02465	1.9
117.01936	5.2
117.03476	1.7
119.04987	4.3
121.02940	3.7
125.02446	4.6
135.04578	8.6
135.08179	54.6
136.08545	2.4
137.02441	2.0
141.01892	3.6
146.03741	10.7
149.02484	4.1
151.00323	4.2
151.07632	1.7
153.09189	2.5
155.90083	1.3
156.52304	1.4
161.04617	12.4
161.05951	2.8
163.04010	1.7
164.01178	4.1
164.04771	12.1
178.99895	3.0
179.03752	2.8
179.05621	13.0
179.07126	100.0
180.07545	3.2
181.83800	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0715
Annotation	80638-48-8
Peak:m/z	Relative Intensity
57.03452	100.0
58.00592	1.0
58.54120	0.8
59.01382	18.5
61.85665	1.0
62.44707	1.1
69.21722	7.7
71.01392	13.5
72.99326	1.3
74.21819	0.9
85.02970	2.7
85.38557	1.0
87.00877	7.3
89.02464	5.9
93.03476	4.7
98.22538	1.0
99.46987	1.0
101.02443	2.1
102.57457	1.0
103.75183	1.0
107.05041	1.9
109.02953	4.5
111.78107	0.9
113.02424	2.2
117.01878	1.3
121.02965	53.0
122.03304	2.4
134.03728	4.3
135.04536	59.1
135.08157	23.3
136.04875	3.0
136.08562	1.2
137.83006	1.0
149.02458	2.5
150.05638	1.1
161.04555	3.0
164.04829	2.4
179.03581	7.8
179.05600	3.5
179.07126	31.6
180.07509	1.0
192.51242	1.1
199.58138	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12162	0.9
55.01900	1.4
57.03450	33.0
58.00599	1.0
59.01382	27.8
69.03452	1.3
71.01389	19.8
71.29414	1.2
72.99311	2.6
73.02967	2.0
75.00888	1.7
78.92056	0.9
80.82851	0.9
81.03482	1.2
83.01402	2.5
85.02949	7.0
87.00887	23.7
89.02454	9.5
95.01385	2.9
97.02976	1.8
99.00919	5.9
101.02448	2.9
107.01483	1.1
107.05055	2.2
109.02992	2.8
113.02468	2.0
117.01955	3.5
121.02981	7.4
125.02466	3.4
134.03763	1.7
135.04546	33.4
135.08173	100.0
135.28499	1.0
136.04922	1.4
136.07680	6.8
136.08536	3.7
137.02524	1.0
141.01968	2.4
149.02502	1.0
151.04044	2.4
153.09203	1.4
159.02980	1.2
161.04556	13.4
164.01129	9.0
164.04820	2.8
178.99918	1.4
179.03641	8.3
179.05630	12.5
179.07173	56.5
180.06557	2.3
190.03598	1.1
195.26236	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0714
Annotation	Coniferyl alcohol
Peak:m/z	Relative Intensity
54.58409	0.6
55.01853	1.1
57.03450	1.7
58.00583	1.0
58.34769	0.7
59.01091	1.0
59.01382	20.2
60.01705	0.8
63.02391	1.2
66.20585	0.7
67.01851	0.7
69.03443	2.8
69.66665	3.8
71.01388	17.5
72.99293	1.9
73.02954	4.4
74.38055	0.7
75.00883	3.5
78.95911	6.3
79.01865	1.3
80.91695	1.1
83.01380	3.2
85.02960	11.4
87.00881	45.7
88.01221	0.8
89.02454	5.1
93.02128	0.7
93.03468	2.6
95.01388	1.9
96.96004	1.4
96.96940	3.7
97.02944	3.6
97.74728	0.7
99.00884	13.0
100.01115	0.6
101.02448	5.7
107.01412	1.9
107.05022	3.6
113.02459	2.6
117.01939	8.2
117.03417	1.4
118.99332	0.9
121.02965	58.9
122.03242	1.2
122.89435	0.8
123.04528	1.0
125.02457	5.9
126.19118	0.7
129.01923	1.5
134.03752	4.7
135.04541	72.9
135.08145	1.2
136.03999	0.9
136.04890	2.7
136.94031	7.3
139.04092	1.1
141.01930	3.7
146.03685	1.3
149.02420	4.8
150.05608	0.9
150.94832	0.8
151.00346	0.9
151.03996	1.0
151.07646	1.1
151.92767	1.5
159.03047	2.1
161.04570	23.5
161.05899	1.5
164.01129	2.7
164.04805	100.0
165.05116	5.5
177.04045	1.8
178.81535	3.4
178.95082	2.7
178.99898	1.2
179.02072	1.4
179.03535	11.9
179.05617	27.4
179.07153	8.5
180.06679	1.1
183.22086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1079
Annotation	OLIVETOL
Peak:m/z	Relative Intensity
59.01379	25.0
63.02386	22.5
65.00325	22.4
70.29575	58.9
71.01381	22.0
73.02940	31.1
87.00891	50.2
98.22057	27.2
135.04562	44.5
151.00375	42.5
151.22079	18.2
161.04567	38.5
178.99861	22.1
179.05634	26.6
179.10767	100.0
197.46962	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0668
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
50.35591	0.9
58.27324	0.9
63.44434	0.9
64.90643	0.9
69.72619	2.0
69.73006	2.6
69.78439	0.9
72.00917	42.7
74.02480	3.7
78.81205	1.1
78.95904	2.4
79.95753	3.3
93.03470	30.0
98.22559	1.6
102.75462	0.9
106.04259	4.9
107.05068	2.2
119.05042	85.7
120.05386	4.0
134.06122	1.9
135.96262	1.4
136.07697	1.4
137.94112	4.1
138.93805	1.2
156.22350	1.1
163.04033	100.0
164.04361	4.8
164.46700	1.1
165.27061	0.9
179.95209	2.3
180.06694	95.6
181.07027	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0507
Annotation	Homovanillate
Peak:m/z	Relative Intensity
55.01867	0.5
59.01382	14.4
59.90588	0.5
61.29547	0.5
65.00323	0.4
69.19804	1.1
69.20207	3.7
69.83998	0.5
71.01384	3.2
78.95910	6.1
79.95741	8.6
80.96519	0.9
81.03432	0.5
85.02946	0.6
87.77941	0.6
89.02444	1.5
92.05048	0.5
93.03494	2.4
93.42814	0.5
94.02969	0.6
95.01402	1.5
96.96028	1.1
97.02940	0.7
98.21760	0.7
101.02442	1.6
107.04985	0.6
108.02221	0.8
108.04571	6.2
109.02956	1.3
111.04550	0.7
119.05033	13.5
119.05836	0.9
120.05461	0.7
121.02967	100.0
122.03230	3.7
123.00895	4.2
130.35242	0.4
135.04547	1.9
137.02510	1.6
137.06064	0.9
138.03244	2.6
138.05637	8.8
138.93735	5.9
139.04027	0.6
139.98083	0.5
149.04410	1.2
151.00348	2.7
153.01990	0.5
153.92432	1.6
163.04034	1.8
166.02730	5.0
166.99837	1.1
180.81288	0.9
180.94827	2.2
181.01584	1.1
181.05292	10.0
181.07104	1.1
181.08717	2.1
182.04616	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0871
Annotation	2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate
Peak:m/z	Relative Intensity
59.01380	0.6
65.71373	0.3
69.41910	0.8
69.42321	1.2
71.01392	0.7
79.95753	0.7
89.02489	0.5
93.03477	1.9
95.01408	0.7
101.02436	0.6
101.03561	0.7
106.57613	0.3
108.02157	2.2
109.02979	1.7
109.06653	0.5
111.04530	0.8
116.30930	0.3
119.05052	0.8
121.02980	1.2
122.03752	27.2
123.00887	1.3
123.04082	0.5
124.01678	3.1
135.04565	1.0
136.01613	0.6
137.02470	4.3
137.06088	4.2
137.08038	0.7
137.09746	0.8
138.03300	3.1
144.34538	0.3
151.00412	1.8
151.42323	0.4
152.99738	0.6
153.01958	0.9
154.02733	5.2
160.59119	0.3
163.07628	0.8
166.02725	49.9
166.99916	0.4
167.03101	2.0
179.07101	0.4
181.05272	6.9
181.08716	100.0
182.09058	5.0
203.11603	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1024
Annotation	1,2-Dihydrostilbene
Peak:m/z	Relative Intensity
51.65326	0.3
56.47198	0.3
57.39194	0.3
59.01376	0.7
61.98820	0.9
63.39368	0.3
65.00323	0.7
65.03965	5.0
67.52390	0.2
71.01379	1.3
71.67204	0.3
79.05527	1.4
79.34572	0.3
89.02452	0.7
91.58080	0.3
93.03471	2.5
95.01395	0.6
95.05029	1.5
96.96012	1.7
101.02461	1.0
102.04767	0.3
103.05537	1.8
121.03007	0.3
123.00877	0.6
136.98817	0.8
137.02466	0.5
143.86540	0.4
145.86211	0.4
146.86844	0.4
147.04477	0.6
151.00360	1.0
153.01927	0.3
165.07124	3.4
166.02731	1.3
166.99809	0.4
179.08710	1.9
180.09390	0.9
180.84311	0.6
180.85907	1.4
181.01407	0.6
181.10237	100.0
181.83754	0.5
181.92963	1.9
182.10570	6.7
183.68953	0.3
198.31644	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1234
Annotation	1-Methoxy-3-myodesertene
Peak:m/z	Relative Intensity
50.09959	0.4
50.75202	0.4
59.01381	0.9
61.98821	0.5
65.00318	1.9
65.99834	0.6
71.01378	1.9
73.02936	0.8
80.27807	0.4
89.02448	1.0
89.05770	0.4
92.99760	0.5
93.03467	2.9
101.02448	1.6
109.02946	0.9
123.00930	0.9
136.77304	0.4
136.98813	1.0
137.02444	0.8
138.01939	0.4
138.06865	1.5
139.07631	0.6
151.00362	2.3
152.92239	0.5
153.01901	0.5
163.11340	0.5
166.02769	3.3
166.99895	0.5
170.05862	8.3
180.85915	0.6
181.01489	1.5
181.12354	100.0
181.92960	8.6
182.12709	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1236
Annotation	Nordavanone
Peak:m/z	Relative Intensity
53.74194	1.4
54.05862	1.2
59.01378	6.3
65.00320	3.1
67.75634	1.3
69.03413	1.6
69.03622	5.8
69.04052	7.5
71.01376	5.7
73.02953	85.3
85.02963	3.5
89.02444	1.8
93.03475	5.5
98.22672	2.7
101.02431	3.2
109.02946	2.0
111.08138	1.7
113.06068	2.7
123.00881	5.9
136.98807	1.8
137.02501	1.7
151.00340	9.6
163.11284	15.4
166.02727	13.1
181.05077	2.0
181.07275	2.7
181.08768	5.8
181.12352	100.0
181.92949	5.4
182.01125	1.8
182.12708	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1237
Annotation	Nordavanone
Peak:m/z	Relative Intensity
52.60457	1.8
55.01879	6.3
59.01386	20.5
65.00320	4.0
69.30013	2.0
71.01382	8.9
73.02956	55.9
83.05038	2.2
85.02965	2.7
89.02444	3.5
90.47456	1.9
93.03454	10.5
97.02952	2.8
98.21762	5.9
101.02464	4.8
109.02985	2.0
111.04473	2.4
111.08170	16.6
123.00882	10.4
137.02457	5.4
138.02032	2.8
151.00340	12.0
154.40016	1.9
163.11305	23.7
166.02728	15.6
166.99898	2.0
177.00009	1.8
180.58949	2.4
181.01332	2.5
181.05034	4.6
181.07251	3.7
181.08723	7.9
181.12352	100.0
181.93037	11.6
182.12660	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0299
Annotation	Leiocarpic acid
Peak:m/z	Relative Intensity
55.01879	5.2
69.03468	2.9
71.05024	29.0
71.35223	1.0
83.01390	1.1
90.89318	0.6
93.03457	2.0
95.05032	43.8
96.05361	1.4
97.02958	69.0
98.03303	1.6
115.04027	19.6
121.02931	0.6
123.00922	1.7
124.01694	1.1
137.02438	0.8
139.04022	100.0
140.04335	3.5
165.01945	4.0
167.99362	1.4
183.02997	28.6
184.03395	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.03
Annotation	Leiocarpic acid
Peak:m/z	Relative Intensity
55.01875	4.5
57.01705	0.6
60.36222	0.7
69.03456	3.6
69.04120	5.7
71.05025	26.2
72.05363	0.7
83.01375	1.6
93.03480	1.7
95.01396	1.3
95.05033	45.2
96.05391	1.3
97.02958	63.2
98.03280	1.5
98.21797	1.4
100.38846	0.6
102.78072	0.6
111.00920	1.1
115.04022	17.1
116.04418	1.0
123.00886	2.4
124.01728	1.1
124.16318	0.7
137.02443	1.2
137.99536	0.9
139.04024	100.0
140.04361	3.0
141.56105	0.7
153.01982	5.4
155.05022	1.6
165.01935	6.1
167.99384	3.0
168.00713	1.9
168.04298	1.4
182.03726	4.6
183.00479	1.6
183.02995	27.6
183.04533	19.2
183.10271	2.6
183.13995	0.7
184.04970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.03
Annotation	Leiocarpic acid
Peak:m/z	Relative Intensity
55.01880	5.4
57.03456	0.5
59.01376	3.3
61.58850	0.5
64.30840	0.6
64.42327	0.5
67.01891	1.1
69.03468	4.1
70.98794	0.6
71.01408	0.8
71.05028	28.7
78.95905	0.9
81.06205	0.5
81.95321	1.1
83.01418	1.3
85.02963	0.7
93.03468	2.1
95.01407	1.0
95.05037	45.6
96.05361	0.9
96.25324	0.5
97.02962	64.7
98.03307	1.9
100.68669	0.5
103.92027	0.9
111.00906	1.4
111.02025	1.4
111.04511	0.9
112.04041	5.0
115.04022	22.4
120.36002	0.5
121.02932	1.4
121.06552	0.5
122.02485	0.7
123.00931	2.1
124.01675	1.8
124.04070	4.4
136.03973	0.7
137.02443	1.3
139.00415	1.7
139.04030	100.0
140.02045	1.2
140.04375	3.4
140.07178	2.1
142.00000	0.6
151.03976	0.6
165.01939	6.3
167.99515	3.6
168.00677	3.1
183.00420	1.4
183.03009	34.7
183.06567	1.0
183.10176	0.9
184.01059	3.2
184.03423	1.1
184.06110	3.0
195.03026	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1028
Annotation	Gallicynoic acid I
Peak:m/z	Relative Intensity
57.03432	1.0
59.01372	2.9
63.33873	0.6
65.00330	0.8
69.03466	0.8
69.31284	1.6
69.31673	1.9
71.05020	1.4
85.06594	100.0
86.06938	2.4
97.02956	35.8
98.03260	0.8
98.51431	0.7
111.08150	1.2
123.08168	0.9
124.01622	0.8
139.11305	9.9
151.00401	1.0
153.09222	1.0
165.09216	1.1
167.99382	1.5
175.51160	0.8
183.00403	1.3
183.10275	37.4
184.10576	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76707	1.1
53.82477	1.2
57.03425	1.1
59.98489	1.5
65.67166	1.2
71.05019	1.5
71.30341	1.1
74.00492	1.3
83.05014	2.1
85.06598	100.0
86.06935	1.8
92.99846	1.2
97.02959	36.1
99.04517	2.1
100.48197	1.2
110.50895	1.1
110.64267	1.2
134.49004	1.2
139.11316	11.0
165.09229	1.6
167.99408	3.1
172.83438	1.3
183.02986	1.2
183.10286	50.4
183.57242	1.5
184.10599	2.1
185.51720	1.3
197.19426	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1027
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
57.03452	9.6
59.19626	1.0
61.97586	1.1
67.48338	1.0
69.26500	7.6
73.02945	1.1
98.22545	2.3
105.07098	1.3
105.99785	1.2
111.24702	1.3
123.08168	12.8
125.06094	43.8
167.99319	1.3
183.10277	100.0
184.10579	5.9
202.45316	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1027
Annotation	(3S)-3-Isopropenyl-6-oxoheptanoate
Peak:m/z	Relative Intensity
50.49458	4.3
51.95655	4.3
57.03456	43.2
58.52636	3.7
65.00318	5.1
65.40661	4.0
67.01881	4.8
69.03466	100.0
71.05033	27.8
71.32289	8.1
95.01405	4.8
109.72619	4.2
111.00935	4.7
111.08163	28.9
113.06018	5.2
115.61104	4.4
123.08181	7.7
139.11285	40.0
164.98360	6.0
167.99397	10.6
183.10291	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09635	1.6
57.03450	13.2
67.72640	1.8
69.03465	25.5
69.25681	11.7
69.26084	4.2
71.05017	5.4
85.02965	2.3
85.06597	100.0
86.06927	2.9
90.48026	1.8
95.05062	2.2
97.02374	2.8
97.02964	38.6
109.67747	1.7
111.08183	10.2
113.06075	3.5
123.08195	4.1
139.04013	2.2
139.11314	17.9
155.43707	1.7
167.99330	3.4
183.10292	57.0
184.10626	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.1
102.10182	7.9
120.46429	6.6
140.02071	52.7
142.00087	9.3
147.84798	7.7
183.99396	11.5
184.01030	100.0
185.01360	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	27.5
60.21369	5.3
62.74319	5.6
69.68004	22.0
69.68409	12.5
76.88496	5.5
78.95916	12.9
97.06594	7.5
98.21857	11.5
112.04058	13.6
118.91232	5.4
124.04037	13.2
140.02065	52.4
141.99971	21.9
152.29152	5.6
184.01018	100.0
185.01157	7.1
191.04166	6.2
197.82281	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0615
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
51.86977	1.0
54.41781	1.0
57.03448	1.0
59.01382	51.2
60.99152	0.8
65.55685	0.8
66.26669	0.8
67.01884	2.4
69.03446	2.1
70.02966	2.4
71.01382	13.3
71.29196	1.4
78.95905	3.9
81.03453	2.2
82.02965	0.8
84.04555	10.6
85.02953	2.4
87.00867	2.7
91.51674	0.8
93.03471	6.2
94.02975	5.2
94.03606	0.8
95.05025	3.3
96.00921	0.8
96.04582	0.9
97.01680	6.2
97.06609	1.6
98.02579	1.0
98.06081	1.5
98.89266	0.8
100.02147	0.8
103.92023	0.9
109.02971	2.5
110.02512	2.6
111.04560	1.2
112.04057	100.0
113.02434	4.5
113.04396	1.8
113.06086	1.2
122.06155	9.3
123.08099	1.1
124.04054	68.6
125.02448	2.8
125.04374	2.6
140.02037	2.6
140.07191	30.3
141.05603	2.3
141.09171	1.5
141.99971	1.2
150.03159	1.4
150.74857	1.0
151.04019	23.6
152.04407	1.1
166.05101	4.5
169.00143	1.7
178.13609	0.9
184.01115	5.0
184.03671	2.8
184.06163	53.9
185.01109	1.3
185.06459	2.9
185.08054	1.3
185.15477	1.7
195.03000	19.2
196.03368	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0616
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
59.01382	54.5
60.06419	1.0
66.03455	1.3
67.48388	1.2
70.02984	3.0
71.01387	11.6
71.29848	1.3
84.04546	10.1
93.03485	1.6
94.02986	5.3
95.05032	2.7
96.00935	1.9
97.01689	6.2
98.06110	3.2
99.39526	1.1
110.02486	3.4
112.04055	100.0
113.02437	2.1
113.04384	2.5
114.30562	1.4
122.02493	2.8
122.06157	8.6
124.04057	77.9
125.04427	1.4
140.07187	37.7
141.05600	1.7
151.04037	1.5
154.05095	2.0
158.06102	1.3
166.05113	7.1
169.00148	1.2
172.52718	1.1
184.00961	1.3
184.06163	67.1
185.06500	2.7
193.46794	1.2
201.35185	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20945	0.8
52.95751	1.0
56.25330	0.9
59.01384	100.0
60.01712	1.2
67.49425	0.8
71.31210	1.3
74.19959	0.8
75.46417	0.8
80.38889	1.1
86.70850	0.8
108.39666	0.8
125.09755	1.1
129.10663	0.7
141.09236	1.1
174.29390	0.8
185.08235	1.0
185.11845	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1184
Annotation	10-Oxodecanoate
Peak:m/z	Relative Intensity
51.12651	0.7
59.01383	100.0
60.01700	0.7
71.32271	1.0
79.00764	0.6
85.86365	0.6
87.83515	0.5
89.79211	0.5
89.91082	0.6
132.82726	0.6
140.60715	0.6
140.89650	0.8
177.42943	0.6
185.11823	12.2
185.15433	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20945	0.8
52.95751	1.0
56.25330	0.9
59.01384	100.0
60.01712	1.2
67.49425	0.8
71.31210	1.3
74.19959	0.8
75.46417	0.8
80.38889	1.1
86.70850	0.8
108.39666	0.8
125.09755	1.1
129.10663	0.7
141.09236	1.1
174.29390	0.8
185.08235	1.0
185.11845	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
59.01374	3.6
69.22423	1.7
69.22830	4.8
80.54883	0.7
81.07079	1.6
85.02952	6.0
92.28187	0.7
93.79253	0.7
97.06587	2.0
98.21774	1.6
137.09717	2.3
139.11310	2.4
140.89761	1.0
141.09259	1.5
141.12868	1.4
149.09717	2.0
155.10789	9.5
156.11125	0.9
157.12347	1.1
167.10786	10.6
173.28024	1.0
183.10284	1.4
185.11842	100.0
186.12228	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	86.3
61.98840	3.8
67.43513	0.7
70.80023	1.7
72.42586	0.7
74.72712	0.8
79.62402	0.8
95.89129	0.9
99.03053	1.0
104.12988	0.8
115.02540	5.0
117.00449	6.4
142.89391	2.0
143.01979	3.9
144.99985	1.1
159.01512	100.0
160.01643	7.7
168.32848	0.8
187.00969	9.4
206.77544	0.8
208.65393	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0249
Annotation	(E)-3-(Methoxycarbonyl)pent-2-enedioate
Peak:m/z	Relative Intensity
58.02962	0.8
59.01372	0.8
62.99643	0.6
67.01886	1.5
71.01358	0.7
71.05024	2.0
71.06013	0.7
71.06340	1.3
73.43590	0.7
81.03453	5.9
83.01429	0.8
91.31313	0.7
92.20536	0.9
98.02496	9.9
99.04529	43.3
100.04869	0.8
100.07677	0.9
102.05627	2.1
114.05618	8.5
115.04011	7.9
116.03515	0.9
116.07176	1.1
124.04086	1.7
125.02458	100.0
126.02817	3.7
126.05585	1.4
128.03561	1.7
142.05083	10.8
142.08803	0.9
143.03511	10.5
143.58865	0.7
144.03014	1.2
144.06682	4.4
167.39452	0.7
187.02495	9.8
188.05637	5.8
188.09216	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18538	0.5
57.03432	0.7
59.01381	3.3
63.89534	0.6
67.01885	1.4
69.43405	3.1
69.43819	1.5
71.05022	1.1
72.99319	0.7
81.03461	5.7
83.01380	1.5
86.06099	0.8
87.92550	1.1
98.02486	8.2
98.22117	2.1
99.00895	1.0
99.04523	44.2
100.04891	1.5
100.07700	1.3
102.05613	3.7
114.05608	8.3
115.04019	7.7
115.66221	0.7
116.03545	1.4
116.07143	1.4
124.04060	1.4
125.02454	100.0
125.06068	1.4
126.02795	2.9
126.05624	1.0
127.00385	0.8
128.03539	2.3
142.05113	7.5
143.03520	9.7
144.03029	1.7
144.06657	4.7
159.01405	0.8
187.02480	10.4
188.05621	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0977
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
58.99191	0.8
59.01372	2.7
69.01126	1.3
69.01311	2.8
69.01732	6.4
69.03445	1.0
71.01389	12.0
72.99312	13.8
81.92551	1.0
87.00885	1.9
95.05047	0.8
97.06597	100.0
98.06936	3.4
98.21708	1.9
99.00889	14.2
105.07108	1.1
107.08673	6.9
121.06606	1.1
123.08174	34.8
124.08485	1.9
125.09718	7.5
141.09222	2.6
151.07668	24.9
152.08047	1.6
159.01514	1.9
159.04451	1.5
167.07208	2.1
169.08702	7.8
172.05286	4.9
187.04031	2.8
187.07680	21.7
187.09764	79.1
187.13348	3.3
188.08028	1.4
188.10132	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0976
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
57.03452	2.9
64.89548	0.4
69.03432	0.5
71.14989	0.4
71.31937	0.7
75.69208	0.4
83.05044	0.7
95.05025	0.8
97.06593	13.3
100.62820	0.5
123.08166	8.6
125.09727	100.0
126.10075	3.8
143.10774	2.0
159.04343	0.4
169.08723	2.7
187.04028	0.7
187.09766	37.6
188.10132	1.6
207.74031	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1342
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
59.01380	2.0
59.06026	0.4
61.98836	3.0
63.38255	0.4
69.01920	2.2
69.02348	2.0
71.01372	0.7
73.68595	0.4
86.56205	0.5
90.97122	0.6
91.19774	0.4
92.11422	0.4
98.22482	0.9
99.08184	0.8
99.92599	0.5
109.83536	0.4
122.89442	0.4
125.09724	2.6
138.65173	0.4
139.11328	0.9
141.12865	37.6
141.86832	8.0
142.13184	1.6
142.89301	0.6
159.01500	0.8
159.87857	3.0
169.12372	1.1
185.11861	1.0
186.85689	0.6
187.13406	100.0
187.86205	0.7
188.13751	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0354
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
51.19132	0.2
53.53403	0.2
59.01376	0.3
61.06720	0.1
64.74649	0.2
65.99828	0.2
67.13340	0.2
70.34405	0.6
72.31591	0.2
76.28039	0.2
95.66026	0.2
102.03514	0.8
114.07402	0.2
116.05063	0.3
118.03040	0.4
127.07677	0.4
129.05576	0.3
144.04561	100.0
145.04897	4.5
146.02583	0.2
147.03294	0.7
159.03287	1.2
173.04932	0.2
182.04440	0.2
188.03525	2.6
188.05171	0.2
189.03879	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0567
Annotation	AminoDHQ
Peak:m/z	Relative Intensity
55.01868	1.3
57.03465	4.5
58.02966	1.6
59.01380	3.3
64.55901	1.0
69.51324	5.2
69.51658	1.3
70.02984	1.1
70.99730	0.7
71.01379	0.9
71.05024	2.5
72.00922	1.5
72.04556	8.6
73.02937	2.9
80.05060	1.9
82.02477	0.7
82.02979	5.3
83.01388	10.3
84.00906	1.9
85.02952	2.2
86.02499	2.6
86.06111	9.3
96.04565	9.5
97.02927	2.1
97.31697	0.7
98.02485	100.0
98.06113	4.1
99.00808	0.9
99.02818	1.9
99.04524	1.2
100.04860	2.0
102.05606	5.9
108.04555	3.7
112.04063	7.6
114.05615	99.7
115.05941	1.7
116.07187	18.4
124.04057	11.6
125.02438	1.4
126.02782	6.0
126.05622	16.1
128.03577	5.1
138.18463	1.0
142.05112	97.5
143.05470	1.9
144.06674	42.6
145.07059	1.1
146.04515	1.0
170.04549	1.6
171.03009	1.3
188.02963	1.9
188.05659	45.2
189.04056	1.7
189.05933	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53586	0.6
59.01384	0.5
70.49513	1.4
72.01737	0.5
98.22459	0.6
114.52604	0.5
126.56049	0.5
127.04062	0.7
131.03764	2.9
144.04568	0.7
146.02487	3.1
147.03275	100.0
148.03648	3.5
159.03268	24.1
160.03722	1.2
162.05600	1.5
171.05708	1.2
172.04062	11.8
173.04828	43.4
174.05141	2.1
189.06709	42.2
190.07068	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09750	0.4
59.01378	6.3
60.44074	0.5
61.98820	0.6
67.17603	0.5
69.03450	2.5
71.01403	2.0
71.29139	0.8
73.02969	0.6
83.05025	1.2
85.02982	0.5
87.00876	1.3
87.04501	0.6
99.00935	0.5
101.06096	1.7
109.02958	0.8
113.02457	1.5
114.09253	0.5
115.09598	0.5
127.04029	1.7
131.03773	3.7
131.97028	0.5
143.09088	2.2
144.04549	0.9
146.02484	2.9
147.03273	100.0
148.03606	3.3
157.01402	2.0
159.03270	23.5
160.03897	1.6
161.01198	5.3
161.06075	0.7
162.05612	1.9
162.22520	0.5
171.03046	1.2
171.04355	0.6
171.05692	1.0
172.02577	0.6
172.04062	12.3
173.04823	44.7
174.05148	2.2
183.99098	0.5
187.79910	0.5
188.04843	0.7
188.98773	0.6
189.03973	2.0
189.06697	43.0
189.09581	1.9
190.07030	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45329	0.8
58.00580	2.1
58.21718	0.8
59.01360	1.2
62.34866	0.9
69.03413	0.8
69.35404	6.0
73.02956	5.8
83.05029	1.0
84.02181	0.9
85.06596	74.1
86.06924	1.9
87.04530	2.8
95.05016	2.8
99.08134	0.8
113.06101	11.7
115.04020	100.0
116.04404	1.1
119.97450	0.8
127.07700	6.5
139.04034	14.9
143.07054	1.5
147.03249	4.1
171.06671	6.7
173.04863	1.1
174.03210	1.1
189.05505	1.5
189.07680	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.077
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
51.67010	0.5
57.03427	0.9
59.01378	5.1
71.05023	4.8
71.29355	0.8
81.25693	0.5
83.05016	0.9
85.02957	0.7
85.06635	0.7
99.08165	30.5
100.08536	1.0
101.06062	0.9
106.60220	0.7
127.07660	33.0
128.08006	0.8
129.05591	100.0
130.05919	2.5
143.07199	0.7
145.06586	0.5
145.08713	5.6
147.03273	9.7
147.04337	0.9
148.03641	0.6
159.03300	2.4
161.07256	1.8
164.03633	0.5
171.06642	6.4
172.04121	1.3
173.04863	4.9
189.01859	1.0
189.07762	33.2
189.11279	1.0
190.01175	0.5
190.08145	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.0
57.03453	14.4
59.01387	6.4
62.21075	0.4
67.01888	0.9
68.99825	0.7
69.39368	1.0
69.39775	2.1
71.01372	2.5
72.99311	0.4
75.02386	0.4
83.01397	1.9
84.02169	2.6
85.02957	100.0
86.03289	2.3
87.00890	9.6
91.22038	0.4
93.03487	2.4
99.00896	0.5
103.00407	1.2
109.02973	0.7
111.00890	14.7
111.04528	0.6
112.01250	0.8
129.01933	1.3
132.52129	0.4
147.03030	2.5
171.02991	0.4
173.00954	0.6
173.04625	0.6
174.71281	0.4
176.01343	0.6
184.77948	0.4
187.09740	0.4
191.02010	7.6
191.03688	1.0
191.05620	23.5
192.05963	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.02
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00879	0.4
52.34700	0.5
57.03454	7.1
59.01386	3.2
60.99293	0.4
61.91627	0.4
67.01895	4.1
71.01379	1.0
71.03233	0.5
73.02955	1.5
81.03477	0.5
83.05045	0.8
85.02958	47.4
86.03313	0.9
87.00884	57.0
88.01196	1.0
93.03464	6.4
99.04495	1.0
109.02976	1.6
111.00890	100.0
111.04518	2.4
112.01232	2.3
113.02437	1.0
127.04033	4.0
129.01958	5.6
130.99889	0.6
134.35065	0.6
137.02477	0.5
154.99835	0.5
171.02994	1.4
173.00938	1.1
173.04578	1.5
191.02014	8.5
191.05621	78.5
192.05974	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.02
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48991	0.5
57.03452	7.9
59.01384	4.5
67.01894	5.8
69.03442	1.0
71.01402	2.6
71.03827	0.6
71.04150	0.6
73.02946	1.6
81.03461	1.0
83.01380	0.5
83.05032	1.3
84.79256	0.4
85.02956	56.4
85.46101	0.4
86.03282	0.9
87.00883	58.1
88.01229	1.4
93.03461	7.4
99.04536	0.9
101.02454	0.6
109.02929	1.8
111.00889	100.0
111.04509	2.7
112.01222	3.1
117.01964	0.5
127.04026	5.6
129.01952	5.3
130.99870	1.2
145.14609	0.4
147.03040	0.6
154.99883	0.8
157.10207	0.4
171.02966	1.7
173.00928	1.8
173.04518	2.4
174.13710	0.4
191.02036	8.8
191.05621	94.1
192.05974	3.9
198.42715	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.035
Annotation	Pisonin F
Peak:m/z	Relative Intensity
62.48221	0.3
65.30636	0.3
69.26305	1.7
69.26728	1.1
74.60386	0.4
74.69527	0.3
77.03973	0.4
83.08835	0.3
85.02940	2.5
87.00870	1.9
93.03454	0.9
111.00903	3.9
119.05023	1.0
121.02962	100.0
122.03316	2.9
129.01978	0.4
145.86182	0.4
147.04536	5.8
163.00372	0.6
163.04042	0.6
165.84093	0.4
176.01144	0.6
191.01952	0.3
191.03522	7.8
191.05611	6.0
191.07193	0.4
191.10789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.8
59.01383	4.4
60.99293	0.3
67.01885	1.3
69.03455	0.7
71.01380	2.5
73.02935	1.0
80.61548	0.3
81.03464	1.2
83.05025	1.0
85.02959	26.5
86.03283	0.9
87.00887	5.5
93.03463	9.6
93.11694	0.4
94.03838	0.3
94.49815	0.3
99.04535	1.3
109.02997	2.4
110.60596	0.3
111.00904	0.9
111.04514	2.6
124.95818	0.3
127.04031	4.6
135.60550	0.4
155.03580	0.5
171.03008	1.7
173.01518	0.4
173.04605	2.0
191.05634	100.0
192.06007	3.7
213.44829	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0563
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
53.03967	0.0
55.01880	0.1
57.03453	0.9
58.00596	0.2
59.01383	4.0
60.01711	0.0
60.63258	0.0
60.99306	0.3
65.03981	0.2
67.01896	1.5
68.02207	0.0
68.99813	0.1
69.03461	1.0
70.03806	0.0
71.01387	3.0
71.05031	0.1
71.27554	0.0
72.01721	0.0
72.99316	0.3
73.02952	1.5
78.95905	0.1
81.03465	1.5
82.03812	0.0
83.01396	0.3
83.05037	1.4
84.02180	0.1
84.05392	0.0
85.02958	34.7
86.03288	0.8
87.00882	7.7
88.01237	0.1
93.03467	11.2
94.03797	0.4
95.01390	0.4
96.02192	0.2
97.02958	0.2
99.00892	0.4
99.04525	1.5
100.04889	0.0
101.02451	0.4
101.06062	0.0
108.02186	0.3
109.02962	3.0
110.03281	0.1
111.00894	3.1
111.04530	3.3
112.01264	0.1
112.04906	0.1
113.02454	0.5
115.04026	0.1
117.01983	0.1
117.02668	0.0
125.02454	0.3
127.04024	6.7
128.04346	0.2
129.01042	0.0
129.01952	0.3
129.05563	0.2
137.02460	0.5
138.02873	0.0
143.03494	0.2
145.05095	0.1
153.01952	0.3
154.99931	0.1
155.03516	0.5
171.03006	1.7
172.03343	0.1
173.01041	0.1
173.04561	2.4
174.04892	0.1
189.03995	0.1
191.05617	100.0
192.05957	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0562
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
57.03447	0.8
58.00585	0.5
59.01376	3.2
67.01873	1.0
68.67118	0.3
69.03470	0.7
69.46671	1.5
71.01388	2.3
73.02941	1.2
81.03445	1.4
83.05015	1.1
85.02955	28.2
86.03176	0.4
87.00871	5.5
88.22749	0.4
93.03461	9.7
99.00900	0.4
99.04518	1.1
105.45277	0.3
109.02936	2.3
111.00871	1.6
111.04521	2.6
127.04022	5.2
128.53091	0.4
137.02434	0.7
155.03479	0.6
156.15022	0.4
171.03036	1.5
173.04561	1.9
191.05615	100.0
192.05940	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0562
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
54.84101	0.4
57.03438	1.3
59.01382	3.5
67.01884	0.8
69.03443	0.7
69.40717	2.4
71.01378	2.2
73.02948	0.8
81.03463	0.8
83.05006	0.7
85.02956	29.2
86.03293	0.9
87.00878	7.2
93.03470	8.8
95.01382	0.5
99.04520	1.1
102.95768	0.4
109.02958	2.2
111.00891	4.6
111.04509	2.3
127.04030	4.0
137.02480	0.5
137.66388	0.4
171.03029	1.1
173.04582	1.9
191.05620	100.0
192.05957	3.6
196.83406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0562
Annotation	Quinic acid
Peak:m/z	Relative Intensity
51.79117	0.2
57.03446	0.7
59.01381	3.9
60.99291	0.3
67.01895	1.4
68.60908	0.2
69.03461	0.6
69.06844	1.8
71.01392	2.3
73.02959	1.4
81.03484	1.3
83.05025	1.1
85.02955	28.2
86.03270	0.5
87.00885	6.2
90.61620	0.3
93.03467	8.9
99.04508	1.2
101.02468	0.4
108.02184	0.3
109.02963	2.3
111.00909	1.8
111.04522	2.8
113.02450	0.5
125.02444	0.4
127.04024	5.9
128.83574	0.2
137.02472	0.5
139.61784	0.3
155.03505	0.3
171.02983	1.4
173.04538	2.7
191.05620	100.0
192.05948	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.056
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
57.03456	0.9
59.01381	3.9
67.01894	1.2
69.03453	0.9
69.33105	2.5
71.01028	0.4
71.01376	2.1
73.02944	1.3
73.63961	0.4
81.03452	0.8
82.17377	0.4
83.05031	1.3
85.02957	28.9
86.03268	0.4
87.00887	6.3
93.03459	8.1
94.03851	0.4
95.01427	0.4
99.04547	0.9
99.21580	0.4
109.02986	2.0
111.00883	4.1
111.04519	1.8
127.04025	5.0
137.02487	0.4
143.54596	0.4
147.23315	0.4
147.80428	0.4
155.03442	0.4
171.02997	1.5
173.04546	2.2
191.05621	100.0
192.05986	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0144
Annotation	6,7,8-Trihydroxycoumarin
Peak:m/z	Relative Intensity
67.01881	1.0
69.50842	2.1
81.03480	0.7
88.54104	0.5
91.01914	0.5
93.03470	3.3
98.21891	1.0
109.02959	9.6
119.01446	0.8
121.02966	7.5
133.02957	0.6
134.03746	6.8
134.54077	0.5
137.02455	25.4
138.02794	0.6
147.00896	1.9
149.02428	0.8
149.06055	0.7
149.46362	0.5
165.01942	18.6
166.65755	0.6
175.00383	3.6
178.02765	5.3
193.01422	100.0
194.01770	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30066	1.3
54.21046	1.3
63.63176	1.2
67.83231	1.5
71.11460	1.5
71.11825	2.8
73.42432	1.3
81.87267	1.2
82.59847	1.2
90.64063	1.2
101.21268	1.3
106.04273	1.5
121.02963	3.5
132.22955	1.2
133.02974	7.9
134.03757	100.0
135.04114	4.3
137.02458	18.8
139.04025	5.9
149.06104	17.1
169.73703	1.3
178.02730	58.0
193.04968	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68652	0.4
59.01382	0.4
71.11253	0.4
71.98662	0.4
87.25015	0.4
89.03976	4.5
90.79198	0.4
93.03468	0.5
106.04268	0.9
117.03476	8.4
133.02966	0.8
134.03755	100.0
135.04082	3.6
137.02487	0.7
139.04008	0.6
149.06091	2.8
161.02419	0.8
178.02753	1.7
193.05051	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0507
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
51.37700	0.5
52.08181	0.5
59.41350	0.5
62.68102	0.5
69.26424	1.0
69.26824	2.8
76.93617	0.5
93.03477	0.8
98.21731	0.6
104.66869	0.5
106.04269	2.0
117.03478	0.8
118.21239	0.5
118.98130	0.5
121.02955	3.9
124.22231	0.5
133.02951	5.8
134.03754	100.0
135.04080	2.9
137.02458	19.3
139.04019	5.9
141.92438	0.5
149.02461	0.9
149.04912	0.9
149.06100	17.7
150.03242	2.6
150.06441	0.7
165.01816	0.7
168.48927	0.5
178.02724	58.2
179.03113	2.4
193.03317	1.0
193.05040	18.4
193.08821	0.6
194.05342	0.8
194.08150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0507
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
53.13741	0.6
62.24081	0.5
68.30043	0.6
69.55434	1.2
69.55851	1.6
71.40511	0.5
84.51631	0.5
87.00859	0.6
89.03979	3.5
93.03481	1.0
95.01397	0.6
98.22550	0.6
98.67917	0.5
106.04263	1.6
108.02168	0.8
108.04632	0.8
109.02938	1.0
111.00857	0.8
117.03481	6.0
121.02982	3.1
133.02959	3.3
134.03754	100.0
135.04083	3.6
136.01660	0.5
137.02455	10.6
139.04047	2.9
149.02467	2.6
149.06094	9.1
150.03233	2.8
150.94838	1.1
165.01889	0.6
177.02026	1.3
178.02730	40.9
179.02200	1.8
193.01443	2.4
193.05023	14.5
193.08705	1.2
194.08310	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
63.81662	0.7
69.18661	6.2
93.03503	1.7
106.04258	2.1
109.02963	0.8
111.00861	0.9
117.03514	0.9
121.02953	2.5
133.02974	5.1
134.03754	100.0
135.04100	2.7
137.02469	14.8
138.02798	1.1
139.04045	4.9
149.06094	15.4
150.03238	2.1
168.65692	0.8
178.02718	45.6
179.03098	1.7
193.01482	0.8
193.05070	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68794	0.3
63.62460	0.3
69.27679	0.6
69.28082	2.2
71.01382	0.4
78.14947	0.3
87.60375	0.4
89.03967	2.5
106.04251	1.0
108.02234	0.4
111.00947	0.3
117.03463	4.2
121.02963	1.2
129.07478	0.3
133.02977	1.5
134.03751	100.0
135.04094	3.7
136.01778	0.4
137.02461	5.1
139.04030	1.6
142.33852	0.3
149.02402	0.7
149.06094	5.6
149.09734	0.5
150.03188	0.6
172.20930	0.3
178.02725	16.0
193.01398	0.5
193.05063	9.5
193.06798	0.7
193.08607	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1236
Annotation	Norbisabolide
Peak:m/z	Relative Intensity
51.37418	11.2
55.18943	11.1
61.53634	11.2
66.18599	14.3
68.15015	10.7
69.55099	10.3
71.31641	12.5
73.46149	10.5
79.60768	12.6
87.41592	9.7
88.01003	10.1
93.03448	11.6
99.25975	12.1
103.09049	10.3
108.95337	10.0
111.00841	11.6
121.02982	66.4
134.03775	70.3
137.02446	33.1
149.02426	27.5
149.13350	98.6
158.84691	32.9
178.02707	100.0
179.02248	51.6
193.01482	22.9
193.05112	32.9
193.08818	16.2
193.12439	68.6
194.04674	13.4
194.08257	15.4
197.61711	12.3
201.42264	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41484	0.3
52.76472	0.3
53.92466	0.3
59.01401	0.4
60.12950	0.2
60.24785	0.2
65.06004	0.3
75.00874	0.5
78.37792	0.3
78.95928	0.8
79.95723	1.6
80.96523	100.0
81.96455	0.3
98.21777	0.8
113.06099	15.4
114.06452	0.3
123.25414	0.3
137.02426	0.3
150.38368	0.3
151.04340	0.8
152.91747	1.4
165.01912	0.4
167.90427	0.4
180.04292	0.5
194.29617	0.3
194.92876	0.4
195.03331	25.3
196.03659	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.051
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
57.03449	4.6
57.54771	2.0
59.01386	21.9
59.67635	2.0
70.35126	4.3
70.35490	5.3
71.01379	14.9
72.99300	7.5
75.00880	100.0
78.95903	19.4
83.61433	1.8
85.02959	8.9
87.00877	22.6
89.02459	8.0
96.96012	2.9
96.96967	27.0
99.00889	8.3
105.01958	8.8
111.00890	4.7
111.26143	2.2
113.98059	2.2
129.01944	27.2
141.01976	3.5
147.03041	2.9
159.02977	5.9
177.04065	11.4
195.05109	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0511
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
57.03445	4.9
59.01384	25.5
64.59157	0.8
67.34077	0.8
71.01389	11.1
71.29695	1.0
72.99310	8.0
75.00880	100.0
83.01389	1.6
85.02964	9.1
85.26380	0.8
87.00883	8.8
89.02452	7.3
99.00883	3.9
101.02467	3.1
108.02220	1.3
111.00882	3.6
119.05003	2.7
119.54289	1.0
120.44554	0.9
121.02963	3.3
123.04518	0.8
129.01962	25.5
129.02837	1.0
135.04500	3.6
136.01686	12.4
136.04332	1.7
136.05283	8.6
137.02382	1.0
141.01941	3.8
150.03244	3.0
151.04031	3.0
151.05127	1.4
152.91737	1.0
159.03009	14.0
165.01942	3.5
165.05582	3.4
171.75342	0.8
177.04079	1.6
180.04193	2.7
180.07896	1.8
181.00264	1.3
195.03091	4.1
195.05098	53.8
195.06660	6.8
196.05431	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99006	1.8
58.00303	1.9
58.00596	18.5
59.01378	5.8
70.44340	3.5
71.01388	1.6
72.99290	2.7
75.00872	5.3
78.95935	6.8
80.96527	24.9
82.76665	1.3
93.03445	3.1
96.96982	2.2
98.75491	1.5
107.05040	2.2
108.02205	7.1
109.02964	1.6
113.06068	2.7
119.32381	1.4
121.02971	51.6
122.03770	20.0
123.04556	2.2
136.97615	1.6
137.02432	8.4
149.02396	3.2
150.03233	17.0
151.04037	2.5
152.91742	4.0
154.02751	3.3
162.03444	1.8
163.04036	3.3
165.01956	17.2
165.05573	14.6
167.90425	2.0
180.04300	100.0
181.04623	4.0
195.03239	6.4
195.05211	2.0
195.06648	28.9
206.08530	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04446	0.4
59.01382	1.3
63.76287	0.4
67.53291	0.5
71.30349	0.6
71.30696	0.6
75.61974	0.4
83.01410	0.8
84.52806	0.4
95.23689	0.5
96.96059	0.7
100.48782	0.4
108.02197	1.8
109.02927	0.8
120.64703	0.5
121.03009	1.3
122.02454	1.1
122.02843	0.5
122.03762	8.7
123.04528	1.7
125.28027	0.5
128.70184	0.6
129.72488	0.5
135.04558	1.0
136.04199	1.2
136.05328	3.1
137.02457	6.5
150.03233	100.0
151.03539	4.0
155.12404	0.5
164.03508	1.2
165.00548	1.0
165.01949	23.0
165.05580	52.4
166.02269	1.0
166.05952	1.8
170.31319	0.5
180.04292	40.7
181.00183	0.7
181.04559	0.8
195.04813	0.8
195.06627	16.8
195.08208	1.2
195.10316	0.9
195.14104	0.5
196.06110	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.6
68.99125	1.4
68.99532	4.9
93.03474	1.0
107.05058	1.0
108.02214	2.3
119.05034	11.7
121.02970	35.7
122.03261	0.7
123.00927	1.0
123.04570	3.8
124.01698	2.9
125.02459	1.6
134.03792	1.4
135.04547	28.7
136.05315	100.0
137.02438	1.7
137.05678	2.9
150.03241	4.7
151.04033	7.1
151.07640	3.7
151.11276	0.9
153.49062	0.7
165.01910	1.5
165.05571	1.4
177.05550	1.8
180.04283	2.9
181.00183	1.0
186.45599	0.6
195.02971	2.5
195.06642	56.9
196.06947	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43951	0.7
59.01379	11.2
60.64210	0.6
71.29752	1.0
77.46150	0.6
93.03475	2.1
97.36621	0.5
108.02200	1.9
109.03013	0.7
119.05035	12.9
121.02963	36.5
122.03262	0.7
123.04527	5.2
124.01661	3.4
125.02467	2.0
134.03777	1.8
135.04535	24.5
136.05313	100.0
137.02391	1.3
137.05630	4.2
150.03262	5.7
151.04030	6.6
151.07666	3.7
151.11282	0.6
152.91766	1.4
162.03226	1.8
165.01915	2.2
165.05562	2.4
167.03560	0.6
167.90488	0.8
177.05563	2.0
180.04276	2.5
181.00203	0.7
195.02946	2.4
195.06641	56.9
196.06923	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
69.26456	0.7
69.26875	0.7
73.63918	0.2
80.56181	0.2
84.30076	0.2
88.88506	0.2
95.01403	0.3
121.02954	0.3
122.03747	0.2
123.00896	2.1
123.04491	0.4
124.01690	0.9
135.04561	0.2
136.05321	0.4
137.02455	0.4
139.00388	1.3
140.01176	0.5
141.01942	0.3
149.02438	0.4
150.03233	1.6
151.00374	1.3
151.03963	0.4
152.04811	4.6
152.05977	0.4
165.01985	0.3
165.05556	1.1
179.03513	0.8
180.04294	100.0
181.04623	4.5
195.06630	16.7
196.07010	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1392
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
56.72411	0.2
57.35403	0.2
64.97594	0.2
69.05819	2.2
89.75602	0.2
95.91933	0.2
98.21736	0.5
99.08163	0.4
109.06605	3.9
111.08173	4.5
122.03736	0.5
125.09737	0.9
135.11823	0.5
138.06889	0.8
139.07639	0.4
149.40463	0.2
151.11238	0.4
160.84216	1.8
167.14439	7.9
168.14749	0.4
179.09322	0.4
179.10789	5.1
180.11366	0.4
183.13924	0.4
185.58316	0.2
189.91975	0.2
195.13916	100.0
195.81119	0.6
196.14279	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0456
Annotation	Methyl-4-O-methylgallate
Peak:m/z	Relative Intensity
53.43708	0.6
67.01878	0.8
70.41404	1.2
70.41756	0.9
77.78540	0.6
79.93198	0.5
79.98680	0.6
89.00340	1.2
90.83780	0.6
95.01398	19.1
101.90697	0.6
106.00607	0.8
121.02966	11.2
123.00897	72.2
124.01213	1.8
135.08078	0.7
138.03242	16.3
147.10172	0.6
152.03720	0.6
153.05579	10.3
153.09225	2.5
166.99872	51.1
167.99377	2.1
181.01353	1.2
182.02226	100.0
183.02748	3.1
197.04561	23.0
197.08202	1.7
198.04929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0456
Annotation	Methyl-4-O-methylgallate
Peak:m/z	Relative Intensity
55.16683	0.6
67.01887	0.7
69.71272	1.8
69.71682	1.2
95.01400	19.2
96.01776	0.8
97.03014	0.7
98.21843	0.9
109.02939	1.6
119.44132	0.7
121.02953	2.7
123.00900	64.1
124.01184	2.0
125.02464	1.5
126.90519	0.9
137.02466	1.0
138.03247	14.1
139.00323	0.8
153.01950	2.1
153.05576	6.0
166.99872	45.0
167.99290	6.3
181.01422	1.4
182.02231	100.0
183.01801	4.9
196.89662	0.8
197.04573	18.7
198.04118	1.6
204.93472	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.082
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23372	1.4
71.05014	3.8
71.28286	1.3
71.28674	1.9
73.02946	2.4
78.11893	1.5
95.01395	18.2
99.68434	1.3
107.06171	1.5
109.02974	3.0
111.04529	19.5
116.92875	2.0
121.02963	11.5
123.00899	63.9
124.01253	2.9
125.93620	2.8
126.90480	3.6
134.30766	1.9
138.03244	12.8
139.00327	2.1
139.99866	1.9
140.16623	1.6
152.95970	1.7
153.01950	1.9
153.05592	9.1
153.09225	65.4
153.12794	2.4
154.09569	3.0
160.84213	10.1
162.83920	27.9
166.99864	52.7
167.99373	26.1
178.99886	3.1
179.07159	4.5
181.01468	2.5
181.10767	1.4
182.02228	100.0
183.01682	28.9
197.04581	20.5
197.06276	1.9
197.08191	12.2
197.11925	4.4
197.80795	15.4
198.04114	5.2
210.24597	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36834	1.0
57.03452	1.4
62.08982	0.8
69.03452	1.6
71.05026	100.0
71.31207	1.1
72.05367	2.0
73.02936	3.1
76.43949	0.9
83.05031	3.9
95.01389	3.7
99.12074	0.9
109.02923	1.2
111.04510	3.3
114.91266	0.8
119.55675	0.8
121.02956	3.1
123.00894	16.3
125.09730	2.2
126.90484	1.7
135.08199	1.1
137.09674	2.6
138.03230	3.4
153.02046	1.1
153.05592	3.1
153.08067	1.6
153.09230	22.5
153.12856	23.7
154.09529	1.1
154.13199	1.1
166.99872	11.1
167.99364	10.0
179.07118	1.5
179.10745	2.7
182.02222	25.0
183.01741	8.8
190.65564	1.2
197.01970	1.0
197.04675	6.3
197.08214	3.9
197.11823	15.2
197.72516	0.9
198.04053	1.9
214.23746	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	90.0
59.01385	7.4
62.79649	3.3
63.26078	3.1
71.01818	2.8
71.05032	3.9
71.31973	4.8
73.02956	92.4
83.05044	18.9
88.69242	3.5
95.01402	11.0
108.72054	4.1
109.06542	3.1
121.02953	14.0
123.00906	72.7
124.01247	3.1
125.93620	11.2
126.90478	7.6
127.94734	3.0
137.09682	4.9
138.03281	16.7
152.95956	4.5
153.01924	4.7
153.05580	8.1
153.12857	27.4
160.84190	15.9
161.84290	3.7
162.83925	42.5
166.99869	42.9
167.99377	68.8
168.90508	4.6
170.67479	3.7
179.10699	6.9
182.00607	6.5
182.02219	100.0
183.01733	68.9
187.98871	4.0
197.02110	9.9
197.04558	21.6
197.06013	6.5
197.07935	4.0
197.11850	96.2
197.80824	22.5
198.04045	16.4
198.12120	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01485	1.1
56.96514	1.1
59.01380	1.6
61.98829	1.9
68.99546	8.5
83.04990	1.3
87.80456	1.1
95.01389	8.7
97.87848	1.2
107.06171	1.4
109.02972	1.5
116.92873	2.4
121.02951	3.3
123.00900	32.8
125.93626	2.5
126.90485	1.3
138.03233	7.1
152.95978	1.8
153.01923	1.4
153.05573	3.8
153.09215	1.4
153.12842	3.4
160.84225	35.5
161.84251	5.7
162.83926	100.0
166.99870	22.0
167.99348	17.7
169.12335	16.7
179.10748	1.8
182.00641	2.6
182.02228	43.5
183.01698	18.7
196.81131	1.2
197.02165	1.9
197.04579	10.4
197.11838	95.0
197.80800	51.9
198.04106	4.5
198.12210	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09774	1.6
57.03453	3.2
70.18617	1.5
71.05025	100.0
83.05025	3.4
95.01416	14.1
109.02949	2.6
116.92859	2.5
121.02988	5.6
123.00897	51.3
125.09726	4.2
125.93679	4.1
126.90492	3.1
138.03242	12.0
139.99931	1.9
152.95952	2.8
153.05553	8.3
153.12865	27.9
160.84225	24.2
161.84256	4.1
162.83923	62.6
166.99864	37.2
167.99385	27.5
179.03436	1.9
182.02235	81.1
183.01665	26.1
197.04581	14.3
197.11845	30.0
197.80826	34.1
198.04074	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.6
70.91576	1.5
127.93164	100.0
128.93333	1.1
129.92354	5.1
139.93135	1.4
143.07414	0.7
153.25520	0.8
154.95509	70.5
155.87119	1.2
155.95743	1.2
156.91049	1.8
157.97653	1.3
161.84276	0.8
162.83928	21.8
163.83963	2.5
164.83618	20.8
167.48129	0.8
171.92146	0.9
198.80916	1.9
198.94467	13.0
199.80504	16.7
199.82364	0.9
199.98776	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	8.5
64.10896	2.9
127.93169	41.1
154.95503	25.7
155.08685	100.0
155.87296	3.0
156.08997	5.0
162.83934	69.8
163.83939	6.4
164.83638	62.0
178.88910	2.7
198.94576	4.1
199.07623	18.0
199.09322	2.6
199.80519	43.0
199.85136	2.7
210.93687	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0766
Annotation	Goniothalamin
Peak:m/z	Relative Intensity
50.39820	3.4
61.98843	9.0
66.19338	3.3
69.38535	13.2
69.38948	7.8
78.92776	2.9
81.89922	3.7
84.83465	3.0
93.03480	3.3
109.02581	3.4
113.65762	3.4
127.93167	26.6
145.90903	3.2
151.84477	3.7
154.95563	18.1
155.08688	100.0
155.87154	3.9
162.83922	48.5
163.83961	11.0
164.83614	48.0
168.99741	3.1
199.07623	23.1
199.80525	40.0
199.85028	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0978
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
50.58559	0.6
56.37852	0.5
57.03448	0.6
73.02960	3.3
97.30059	0.6
98.21743	1.9
110.64988	0.5
124.41831	0.6
127.93153	2.5
135.08182	2.2
137.09735	7.4
153.09273	1.3
153.34845	0.5
154.95486	2.0
155.10789	100.0
156.11107	3.3
184.02043	0.9
199.09756	6.6
199.17052	1.1
200.01219	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0977
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
54.51665	0.8
69.53213	2.9
69.53624	1.6
73.02942	2.5
78.58758	0.7
86.46596	0.8
98.22492	1.5
113.01541	0.8
117.77837	1.0
127.93156	3.9
135.08194	1.0
137.09744	6.9
154.95474	1.2
155.10791	100.0
156.11137	3.2
199.09735	5.1
199.11339	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0978
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
52.07466	0.5
56.02408	0.4
68.58268	0.3
69.20304	0.4
69.23232	3.2
70.49113	0.4
73.02959	3.5
80.28415	0.4
83.05025	0.6
95.04397	0.4
127.93156	6.8
135.08159	1.1
137.09734	9.8
138.10027	0.4
154.95508	3.6
155.10793	100.0
156.11098	4.7
162.83922	1.1
164.83618	0.9
181.08710	0.4
184.02145	0.6
198.94467	0.9
199.09796	5.4
199.17021	0.5
199.80486	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0977
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.02197	0.6
62.37733	0.7
71.31282	0.8
73.02962	3.7
99.00916	0.6
99.08212	1.2
127.93185	5.4
135.08192	2.1
137.09749	9.7
144.39453	0.6
154.09067	0.7
154.95518	4.8
155.10802	100.0
156.11116	4.9
168.99841	1.2
184.02060	0.8
199.03900	0.9
199.09814	4.5
199.13391	8.3
199.17084	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1341
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
59.01357	3.3
61.23040	2.7
61.98830	3.5
66.71764	2.2
69.04561	15.0
69.04993	9.8
71.05016	10.4
73.02939	7.5
83.05048	2.8
98.69605	2.4
99.00887	7.6
127.93172	69.5
129.92285	2.5
137.09761	2.9
139.11311	16.3
153.12852	7.1
154.95528	42.4
155.10786	16.7
161.84283	3.0
162.83929	44.0
163.84023	5.5
164.83623	37.6
168.99812	3.3
184.02136	7.7
198.80879	3.8
198.94485	10.0
199.13422	100.0
199.17081	3.8
199.80540	38.0
199.82193	4.5
200.13802	2.9
217.19464	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01714	0.6
69.67769	0.8
69.68176	1.5
71.04550	0.4
73.77942	0.4
77.66704	0.4
78.00493	0.3
115.02569	0.5
115.22263	0.4
125.79120	0.4
157.03561	6.0
159.01534	2.0
186.40305	0.4
201.02574	9.6
202.02693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08657	0.3
59.01383	100.0
60.01720	0.9
69.12810	0.4
69.29272	0.4
70.63467	1.0
71.01380	0.5
92.47395	0.3
98.44806	0.4
98.72305	0.3
109.82477	0.4
157.03589	5.0
159.01501	1.9
160.01709	0.5
175.02882	1.1
201.00839	0.6
201.02548	7.7
201.04277	0.6
202.02774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0558
Annotation	4-Hydroxy-5-methoxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
57.03431	0.6
59.01384	33.7
67.13409	0.6
71.01386	0.7
71.30761	1.1
73.02951	0.9
81.03451	2.5
85.06548	0.6
87.04541	1.3
97.06601	1.6
101.15674	0.5
111.08205	0.6
114.58369	0.5
115.05537	2.6
117.03430	1.1
121.02976	1.1
125.02467	1.1
129.05553	0.6
129.07120	1.3
130.04282	3.5
131.05029	2.0
139.07654	2.0
141.05585	0.6
142.04106	0.6
143.05005	1.0
145.02989	0.9
145.06604	10.5
146.03714	0.8
155.05061	5.1
156.05826	1.6
157.06633	5.7
157.08694	5.8
158.03749	19.4
159.04533	31.0
160.05086	2.3
161.02457	1.1
163.04089	0.9
171.04523	5.1
172.05316	13.0
173.02461	2.3
173.06084	38.7
174.03192	1.1
182.03757	10.4
183.04521	42.8
184.05014	3.5
186.03229	2.2
187.03963	1.3
199.04018	4.8
200.04820	4.7
201.02409	2.8
201.05585	100.0
201.11293	12.5
202.06035	5.7
202.11504	0.6
204.04248	1.6
209.77249	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01720	1.0
71.30893	1.1
73.02956	1.0
74.82790	0.6
87.04483	0.6
95.05032	0.8
97.06589	7.1
115.05569	1.0
121.06584	0.7
130.04257	1.8
131.05074	0.9
139.07631	4.6
141.05573	2.7
145.02974	0.5
145.06570	4.4
155.05064	3.8
156.05829	0.8
157.06789	2.6
157.08711	20.4
158.03729	11.4
159.04517	18.3
159.05789	0.9
160.04987	0.7
161.02509	0.7
171.04555	1.5
171.99278	0.5
172.05301	6.2
173.02443	2.0
173.06075	19.8
182.03723	5.8
183.04520	25.5
184.04950	1.3
186.03287	1.8
199.04080	2.2
200.04762	2.3
201.02515	1.9
201.05600	47.5
201.07671	5.4
201.11255	2.6
202.05933	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.077
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29411	0.7
59.01382	100.0
60.01704	1.0
68.34463	0.7
70.78491	1.7
87.04548	2.2
93.03511	1.0
95.05028	1.0
97.06585	6.4
105.49042	0.8
115.05547	2.4
117.03477	1.1
125.02439	1.3
127.05565	0.7
128.46049	0.8
129.07037	1.2
130.04257	3.0
131.05043	2.7
139.07643	3.2
141.05573	2.4
143.05008	1.2
144.05820	1.2
145.02995	1.4
145.06601	8.8
155.05049	5.3
156.05786	2.1
156.82950	0.8
157.06732	4.6
157.08694	19.1
158.03735	20.8
159.04524	36.3
160.05159	2.4
163.04039	1.3
171.04465	2.8
172.05330	11.1
173.02435	1.4
173.06090	37.6
174.06502	0.8
182.03725	11.3
182.05183	1.2
183.04515	46.5
184.05063	4.6
186.03265	2.4
187.03995	1.7
199.03989	4.9
200.04814	4.3
201.01837	2.3
201.05591	99.5
201.11385	2.8
202.06062	7.7
204.04314	1.3
207.09921	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.9
59.01384	100.0
60.01730	1.2
71.01400	0.6
71.05008	0.6
71.27079	0.5
73.02973	1.6
77.71748	0.4
87.04507	0.6
95.05042	1.0
97.06593	6.4
99.92624	0.8
111.08178	2.6
121.10255	0.6
129.07152	0.6
130.04291	1.6
131.05107	0.5
139.07654	4.5
141.05629	1.9
141.93658	0.9
145.02979	0.6
145.06613	3.5
155.05072	2.3
157.03606	0.8
157.06645	2.0
157.08722	22.8
158.03741	7.0
159.01555	0.8
159.04546	13.2
159.05804	0.9
160.04909	0.9
163.04008	0.5
171.04552	1.5
171.10353	0.6
172.05338	4.2
173.02483	0.9
173.06097	12.8
174.06419	0.5
182.03758	4.0
183.04535	15.6
183.10294	0.8
184.05098	1.7
186.03249	1.2
199.04071	2.1
200.04808	1.2
201.02548	2.3
201.05658	33.2
201.07738	6.5
201.11325	5.3
202.06041	1.4
204.04329	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1134
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03456	6.2
57.28745	1.0
59.01092	1.5
59.01385	30.0
63.31977	1.1
66.36617	1.1
71.32431	1.9
71.67437	1.0
74.88251	1.3
79.27983	1.2
92.23463	1.1
97.04923	1.2
99.92587	5.3
101.57014	1.3
111.08164	4.6
119.08658	2.1
137.09718	2.6
139.11307	100.0
140.11607	4.2
141.93643	5.9
157.06567	1.6
157.12303	2.5
173.02390	1.2
173.06033	3.1
183.10271	43.4
184.10646	2.3
185.09779	1.4
201.02130	1.0
201.05576	4.9
201.11325	90.3
201.12891	5.7
202.11717	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.2
58.02978	7.3
59.01384	100.0
60.01735	2.0
61.01814	3.0
69.03460	42.3
71.01388	28.7
71.28001	2.6
72.99316	5.1
75.00875	3.2
79.01901	11.5
83.86349	1.7
85.02950	6.2
87.00887	7.3
94.26613	1.8
95.01407	6.2
97.02961	54.1
100.04065	3.1
103.92046	13.5
104.97735	2.6
106.87859	1.7
111.00946	1.6
115.00392	3.9
116.07162	3.1
123.00881	2.6
140.07201	4.6
141.01944	11.3
143.03580	2.2
148.95483	3.1
158.08221	4.7
159.03302	8.2
161.79681	1.7
172.75499	1.9
185.04735	2.3
185.53416	1.8
186.07730	3.0
202.98938	2.5
203.01996	44.5
203.05586	2.7
204.08708	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	60.8
60.98120	1.0
61.98827	2.1
62.01472	1.1
63.68034	1.0
69.03453	5.3
71.01385	19.9
72.99276	1.4
75.00883	5.8
81.03444	1.8
85.02952	2.8
87.04507	2.9
90.97143	3.5
92.31624	1.3
95.05033	16.1
97.02954	2.3
97.06596	22.6
99.92567	1.3
100.92569	1.2
103.92032	28.0
104.92814	1.3
104.97742	3.1
106.94425	1.5
112.98833	7.0
113.02455	55.6
115.07650	34.2
116.05061	2.2
116.08010	1.4
118.96635	2.2
125.02450	43.0
130.94373	6.4
131.96046	1.0
132.98190	3.8
140.98311	3.8
141.05586	100.0
142.05867	2.5
142.93805	1.5
148.95433	8.5
158.99329	2.0
159.04547	3.1
159.06654	6.4
160.04063	9.1
160.89261	1.9
160.97725	8.5
167.03514	1.4
174.99226	18.0
175.03896	2.2
175.07603	2.2
185.04561	87.0
186.04959	3.4
202.92697	1.4
202.94408	1.3
202.98643	7.8
203.01884	2.1
203.03519	4.7
203.05603	28.8
203.07219	8.9
203.09251	5.3
203.10808	1.5
204.02888	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0828
Annotation	Tryptophan
Peak:m/z	Relative Intensity
56.88087	0.7
59.01392	6.7
60.61670	0.7
63.89879	0.7
69.00647	6.6
69.01058	1.5
72.00912	23.4
74.02477	35.3
103.92037	2.0
116.05074	100.0
117.05415	2.2
119.91438	0.7
123.80893	0.9
130.06619	3.0
132.08157	0.7
137.64577	0.8
141.64128	0.7
142.06635	30.8
143.07004	1.3
157.07651	0.9
159.09294	14.8
160.97746	1.3
161.04822	1.4
174.99226	2.9
186.05591	3.2
202.98730	0.8
203.08281	56.2
204.08540	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.129
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
59.01381	1.7
64.28709	0.4
67.42039	0.3
69.21482	1.7
69.21907	1.5
125.09750	1.0
127.11308	13.9
139.11299	1.1
155.10812	8.2
157.12357	54.8
158.12672	1.8
160.97739	0.4
174.99280	0.5
185.11867	1.2
201.11354	1.3
203.12895	100.0
204.13237	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.8
69.32574	6.8
75.05470	1.0
115.00365	1.7
135.04535	1.1
135.19717	1.1
136.05324	5.1
147.08246	1.4
149.06122	7.0
149.07112	1.1
171.08157	4.6
188.08420	13.8
189.09183	16.5
203.10780	53.2
204.03120	1.2
204.11543	100.0
205.11940	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0355
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
55.01872	2.7
57.03434	2.8
59.01386	16.9
66.45821	1.9
68.99824	2.4
69.22489	1.7
70.68953	3.4
70.69299	2.5
71.01383	19.9
71.05033	15.3
72.06126	1.8
72.99318	11.3
73.02948	4.9
75.00871	7.5
81.03484	4.0
83.01373	3.4
87.00887	10.9
96.99317	2.6
99.00886	7.6
99.04528	41.0
101.02460	47.7
111.00879	7.8
112.98827	3.7
115.00387	19.0
115.04011	18.0
117.01901	1.8
124.98815	3.7
125.02457	100.0
126.02791	4.1
129.01912	1.8
142.99849	4.3
143.03505	17.7
145.01442	52.0
154.99918	2.9
155.66197	2.0
187.02461	24.3
205.03552	30.7
205.16106	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0873
Annotation	Narchinol A
Peak:m/z	Relative Intensity
57.02193	0.5
57.15900	0.5
59.01368	1.2
61.98823	0.8
65.29684	0.5
68.99837	0.5
71.01373	1.1
72.99294	0.8
73.80782	0.5
83.01377	0.6
87.00887	0.8
94.55782	0.5
115.00369	1.6
121.02942	0.8
122.03755	6.7
124.01689	0.7
133.45790	0.5
135.04581	0.7
137.02441	1.3
147.04544	9.7
148.05309	1.0
149.06033	0.9
154.02737	1.7
161.02469	0.7
161.06099	1.4
164.57565	0.5
172.08919	1.5
175.02757	0.4
175.04019	21.6
176.04802	100.0
177.05154	4.3
177.09222	1.6
187.07773	1.2
187.11328	3.3
189.09277	3.7
194.08498	0.5
205.08713	28.4
205.12439	1.2
205.15997	1.0
206.09088	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03221	1.0
57.03455	11.0
67.01903	0.9
68.93965	0.8
69.03454	3.9
71.05023	1.0
73.02936	0.8
79.05532	1.9
81.03453	1.0
83.01449	1.1
83.05035	2.4
85.06586	3.5
88.81716	1.0
93.07115	1.1
95.05022	1.8
97.02957	13.3
97.06591	2.1
107.05035	2.6
109.02939	4.2
109.06607	5.3
111.04540	7.3
120.05808	0.9
121.05728	1.3
121.06606	23.2
122.03755	16.9
123.04565	4.6
126.03275	1.2
133.06602	2.7
135.04521	4.1
135.08163	1.9
136.05286	1.7
137.06094	5.7
145.06566	1.6
147.08122	4.6
147.38069	0.9
149.06110	2.5
153.09241	1.0
159.11838	1.0
161.06082	3.2
161.09772	2.1
162.06903	2.6
163.07645	2.3
163.11295	8.1
171.08170	8.4
172.08986	1.5
175.07648	2.7
175.11263	7.8
177.09251	1.0
177.12819	6.9
185.09734	1.7
187.11305	29.2
188.11598	2.0
189.09232	4.4
190.10020	23.8
205.05014	1.8
205.12357	100.0
206.12686	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1599
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
53.58969	0.8
59.01401	0.9
61.98838	4.1
69.56112	4.2
105.62891	0.8
117.03436	1.5
133.07744	1.8
157.86319	1.8
161.02443	1.3
162.89304	1.0
163.52058	1.1
175.02736	2.1
185.51796	0.8
189.12906	1.8
204.79370	1.2
205.01248	1.3
205.06224	2.7
205.15985	100.0
206.16295	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74760	0.9
58.02979	37.9
62.95797	0.9
69.04180	1.9
69.04585	5.2
69.13335	0.9
70.02975	12.6
72.00922	6.5
91.05534	14.6
103.05579	1.5
120.17869	0.8
126.91997	1.0
147.04535	41.4
155.85976	1.0
164.07173	100.0
165.07549	4.1
206.08241	27.2
206.10196	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	100.0
59.01374	3.7
65.28398	1.2
69.27981	8.3
69.28381	2.7
69.50813	1.0
70.02980	9.8
72.00913	4.4
85.75328	1.2
91.05561	9.1
141.50858	1.2
147.04541	30.1
148.04944	1.3
164.07175	92.9
165.07469	1.6
206.08238	33.9
206.10196	1.7
207.08458	2.3
216.38153	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84336	2.4
57.28570	2.2
58.42105	2.7
59.01381	97.3
69.18658	2.5
69.22665	7.6
69.23071	13.6
72.99315	8.6
119.05041	10.9
147.04539	100.0
148.04890	4.4
151.00365	2.3
165.05586	83.6
176.00948	2.7
177.01999	2.7
192.04280	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0777
Annotation	Formyl-5-hydroxykynurenamine
Peak:m/z	Relative Intensity
50.68833	0.8
57.51639	0.8
59.01382	1.8
61.98828	1.5
69.38145	0.9
71.26813	1.2
73.54641	0.8
78.95908	4.8
83.01382	1.2
91.01905	2.5
93.03448	1.8
106.03033	1.9
107.03779	6.4
107.05023	0.9
108.04575	7.1
109.02993	0.9
111.00907	0.8
118.03007	6.3
119.05073	2.3
120.04546	2.8
122.02473	1.4
125.51099	0.7
132.04568	2.0
134.02492	20.3
134.06158	4.5
135.03287	19.4
135.04520	6.6
136.04085	4.2
136.94057	1.6
144.04526	1.2
147.03302	3.2
147.04539	6.8
148.04108	1.8
149.04855	3.0
150.05614	10.5
151.05922	1.0
155.77533	0.8
159.03333	2.7
160.04048	11.5
161.04587	1.3
162.05620	25.0
162.06973	1.5
163.02780	1.1
163.03972	1.3
163.08839	1.2
164.07188	2.4
165.01903	0.8
172.03975	1.3
173.04828	1.7
176.03487	1.3
177.01949	4.5
177.06674	0.8
178.05106	23.9
178.07523	1.9
179.08267	1.8
189.06775	6.4
190.05109	28.9
190.06866	1.7
191.05516	1.9
192.04297	4.6
205.06183	1.1
206.95493	2.8
207.07782	100.0
208.06242	1.7
208.08115	4.0
208.09801	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1027
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
59.01102	1.6
59.01382	30.2
69.06270	6.4
69.06689	3.0
79.19091	0.9
80.02678	6.9
81.03464	12.1
83.05024	8.3
93.03448	2.5
95.05070	1.8
96.96008	1.0
97.02965	2.9
99.36433	0.8
106.04245	2.1
107.05018	3.5
109.06597	100.0
109.36115	0.9
110.03747	1.0
110.06913	2.3
121.06615	7.6
133.06604	2.0
135.08165	13.7
136.05228	1.3
145.10213	2.2
148.70755	0.9
161.09727	4.8
163.11301	34.0
164.02332	1.2
164.11610	0.9
165.09212	1.8
177.01909	1.5
189.09256	1.9
207.06563	1.7
207.08304	2.0
207.10262	39.5
208.10533	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.7
55.58545	0.6
57.03452	16.7
58.00576	0.7
59.01381	20.1
61.69915	0.5
66.77447	0.6
68.99805	1.9
71.01386	26.8
71.27793	0.7
72.99311	6.2
73.02941	1.5
75.00878	4.7
78.95907	6.5
83.01394	4.1
84.02166	3.6
85.02956	100.0
86.03297	1.6
87.00884	9.5
88.98808	0.7
89.02456	11.6
93.03471	1.0
96.96999	0.7
97.02977	1.0
99.00888	1.5
101.02454	2.3
103.00382	2.5
111.00889	7.8
112.98834	0.9
113.02439	0.7
115.00381	1.9
115.40491	0.6
118.94255	0.6
121.02972	3.2
129.01965	16.6
131.03506	1.4
133.01445	8.8
136.94011	1.9
136.94987	3.1
141.01947	1.0
142.99884	1.6
144.18256	0.6
147.02968	3.3
159.02989	3.0
165.01945	0.8
166.05234	0.7
173.00923	1.0
191.01997	17.0
191.05634	2.2
208.93452	5.7
209.01170	1.5
209.03041	15.0
209.06659	18.0
209.08559	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
57.03452	11.7
58.00609	0.6
59.01381	13.1
61.02010	0.6
66.59241	0.5
68.99811	2.5
69.63147	2.3
69.63564	1.3
71.01386	27.4
72.99313	7.3
73.02959	1.0
75.00881	6.5
83.01376	2.5
84.02173	2.6
85.02956	100.0
86.03284	1.8
87.00887	3.1
89.02454	8.7
96.96020	0.6
99.00945	0.6
101.02448	1.1
103.00376	2.8
111.00879	5.3
115.00386	2.7
121.02969	3.5
129.01947	6.7
133.01443	9.7
137.02420	1.8
139.04034	1.4
147.03000	4.1
149.02441	1.3
150.03235	1.5
150.19081	0.5
165.01950	0.8
165.09189	0.6
173.00880	2.3
177.01941	1.3
179.03438	2.5
180.04283	0.8
181.05226	0.6
191.01981	23.4
194.05862	3.5
209.00970	1.2
209.02985	21.7
209.04567	1.2
209.08138	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0819
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
53.11969	0.5
53.38646	0.5
57.03431	1.7
59.01374	1.9
65.00329	4.0
68.84740	0.5
71.78197	0.5
80.02669	0.9
81.03458	22.1
82.05025	0.5
83.01392	3.2
83.05025	1.6
91.01879	0.7
95.05074	0.6
98.22589	0.9
99.08178	2.2
101.06093	1.3
106.99665	0.6
107.01418	2.8
120.02191	0.7
121.02969	26.5
122.03775	5.4
123.08157	6.2
125.02463	8.3
125.06088	15.4
137.09727	0.8
141.09250	1.2
151.00377	5.5
165.09212	67.9
166.09563	2.9
176.04764	1.2
191.07156	2.3
209.04710	2.6
209.08197	100.0
209.11824	10.7
210.08553	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1185
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01875	2.1
55.07907	1.1
57.03454	2.2
59.01371	5.0
61.98831	2.8
62.36851	0.9
69.01140	5.2
69.01553	2.7
79.00833	1.1
81.03455	3.7
81.16245	1.1
83.01387	22.0
83.05031	2.9
84.02206	1.2
92.99822	1.6
93.03460	2.5
94.02997	1.2
95.01369	1.1
95.05047	2.6
95.77805	1.1
97.06608	4.2
103.93019	1.0
108.02167	1.4
120.02180	2.7
121.02966	100.0
122.03310	2.4
123.08132	1.4
124.04032	3.0
125.09740	18.7
135.08186	2.0
136.98833	1.9
137.02516	1.0
139.39680	1.2
146.48166	1.0
159.86052	1.3
163.11308	8.5
164.11821	1.2
164.94154	2.0
165.12834	2.9
166.94350	1.0
181.12325	2.6
190.98198	1.0
191.10745	5.2
208.93439	1.5
209.00943	1.4
209.04509	12.5
209.08215	4.7
209.11845	72.9
210.12151	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
57.03436	1.7
59.01380	4.1
61.98839	7.9
71.01389	3.5
71.29537	1.6
71.67415	1.3
77.48472	1.3
80.91696	2.4
83.01385	4.9
83.05033	1.5
89.79069	1.2
92.99796	2.8
93.03487	1.6
95.05005	2.0
96.95993	3.5
97.06596	2.2
108.02120	1.4
118.94228	3.2
120.02210	1.5
121.02966	100.0
122.03325	2.6
124.04092	2.8
125.09723	4.2
136.98843	2.2
141.33136	1.3
151.11325	7.1
159.86086	1.3
163.11284	2.6
164.98251	2.4
165.09256	2.9
165.12878	5.3
166.94325	1.4
179.10829	2.2
181.12383	6.5
191.10783	2.9
208.82457	1.9
209.04555	10.6
209.08273	6.1
209.11836	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.1
59.01378	13.6
59.84632	1.6
65.26742	1.7
69.03461	32.1
70.14816	6.8
71.04973	2.4
74.44326	1.7
83.05025	4.6
93.03439	3.7
95.05026	4.6
97.06545	3.0
98.22040	4.1
104.00107	1.8
109.06651	1.7
111.08173	5.4
121.02969	32.1
127.07668	4.4
135.08162	4.9
146.54465	1.8
147.11823	2.6
153.09235	8.0
163.11337	4.2
165.09180	4.3
165.12869	21.8
181.12370	25.2
191.10809	26.4
209.04520	2.7
209.11852	100.0
209.15198	4.0
210.12184	4.7
217.86578	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
51.75970	1.2
54.90596	1.2
57.03444	2.4
59.01379	4.3
61.98825	12.3
71.01412	6.9
80.91690	2.9
81.03479	2.7
83.01388	10.6
83.05042	2.4
92.99837	1.9
94.02968	1.9
95.05032	3.0
96.95992	2.4
97.06589	2.8
98.22637	3.0
118.94207	6.2
120.02134	1.7
121.02965	100.0
124.04017	2.8
125.09753	8.7
136.98810	1.8
147.11752	2.0
151.11343	11.1
151.33133	1.4
163.11273	5.6
164.98282	1.2
165.09163	1.8
165.12823	8.2
166.94283	1.5
172.68416	1.3
174.79407	1.4
175.11328	1.3
179.10948	2.1
181.12354	9.5
191.03232	1.4
191.10760	7.3
208.82184	1.7
209.01013	2.5
209.04514	10.6
209.08533	7.3
209.11833	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
63.06718	0.2
80.02682	2.6
81.03465	2.4
83.05033	9.9
93.03469	0.4
95.05058	1.4
95.05565	0.3
97.02944	0.3
97.06609	0.4
104.54607	0.2
107.05019	0.2
109.06595	0.7
121.02960	6.6
122.52121	0.2
125.06110	1.1
135.08168	1.4
163.11293	7.2
164.11581	0.2
165.12852	4.6
165.14107	0.2
166.13306	0.3
176.80731	0.3
181.12402	1.4
191.10828	1.9
209.11839	100.0
210.12180	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1185
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
51.56274	0.7
57.03442	3.2
59.01383	100.0
75.52885	0.8
75.70274	0.6
80.02702	1.3
81.03468	1.9
82.25786	0.8
83.05032	1.1
89.13242	0.7
91.78808	0.7
92.17603	0.7
97.06569	3.6
98.21786	1.2
109.06617	4.0
113.57944	0.6
121.02969	10.9
124.73465	0.6
148.80089	0.7
165.12865	5.4
173.12535	0.7
209.04675	2.0
209.08109	0.6
209.11823	15.3
209.13722	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0249
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
63.02400	3.9
65.00329	21.4
66.00660	0.3
66.71967	0.3
71.31190	0.5
83.01396	9.5
91.42969	0.3
107.01402	27.4
108.99335	0.6
135.71538	0.4
151.00378	100.0
152.00702	3.2
164.98390	0.4
169.01440	0.8
178.99855	4.9
182.03627	0.4
182.90294	0.4
183.03096	0.4
211.02492	16.0
212.02748	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21520	0.4
53.38500	0.5
59.01378	0.9
65.03975	0.8
68.99828	0.5
69.03452	1.1
69.75986	1.0
69.76382	1.2
78.95849	0.5
79.01868	0.5
80.02677	2.0
81.03448	0.6
83.01379	1.2
83.05016	0.6
93.03477	1.0
95.01390	2.4
98.22491	0.9
107.05064	1.1
108.02181	63.2
109.02959	1.7
111.09705	0.5
117.03484	1.5
123.00905	1.6
123.04533	13.8
124.01682	1.0
125.02446	2.1
125.04391	0.6
134.03722	1.1
135.00871	1.0
135.04543	0.6
136.01675	1.1
137.02464	5.6
138.03249	3.8
139.04034	0.7
148.01706	1.1
149.02499	0.7
149.06201	0.5
150.03214	2.3
151.04060	2.8
152.01163	100.0
153.00414	0.7
153.01483	3.2
153.05592	1.2
161.02472	2.5
163.00378	4.1
163.04039	1.2
165.05536	0.4
166.02722	59.1
166.91040	0.6
167.03506	14.0
167.07190	0.9
168.03880	0.5
177.01947	1.8
178.02719	3.3
179.03514	5.2
181.05077	36.6
182.05412	1.0
183.06630	1.4
189.54858	0.4
193.05101	2.1
196.00137	7.4
196.02127	0.5
196.03769	13.0
197.03952	0.8
211.02492	37.7
211.06046	16.9
211.13405	1.0
212.02856	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86794	0.9
57.03443	3.2
57.47952	0.8
65.00330	2.2
65.03954	3.5
67.01895	3.0
69.03462	11.8
70.59402	2.4
78.95908	2.0
83.01396	12.9
83.05026	2.7
89.03973	2.1
91.01903	1.4
91.04179	1.0
93.03458	7.9
95.01395	6.7
95.05019	1.0
96.02193	1.8
97.11076	1.0
107.05040	7.2
108.02183	10.6
109.02965	12.0
111.04525	11.1
117.03492	12.4
123.04507	4.7
125.02483	7.7
133.02946	2.4
134.03716	1.0
135.04533	8.1
137.02461	75.0
138.03111	2.0
149.02419	1.3
150.03236	1.5
151.04018	24.7
152.01164	18.6
153.01881	1.1
153.05580	2.1
161.02446	21.0
163.00414	1.1
163.04112	1.2
164.01138	6.3
166.02733	14.8
167.03467	3.3
175.33533	1.0
177.01945	4.1
178.02707	1.6
179.03510	43.0
181.05080	9.5
193.05078	2.8
196.00191	1.7
196.03770	4.3
205.01387	1.9
211.02544	7.4
211.06123	100.0
212.06493	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85126	0.5
59.01372	0.6
59.89842	0.4
60.32497	0.4
62.61177	0.4
64.19970	0.6
65.00322	1.4
81.03461	0.6
93.03486	0.6
97.02958	6.0
101.08138	0.5
123.08151	0.5
124.24699	0.5
125.02414	0.4
137.02425	1.7
137.23511	0.5
153.01945	32.9
154.02322	0.9
167.07082	0.5
181.01434	100.0
182.01825	2.7
195.03041	1.1
196.03772	90.5
197.04092	3.1
211.06122	19.0
211.09486	0.9
212.06435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66477	0.4
59.02876	0.5
60.79989	0.5
62.33632	0.5
67.41482	0.5
69.26818	1.1
69.27232	2.1
104.26940	0.6
108.02190	1.2
123.00890	0.7
124.01672	1.3
125.09412	0.5
134.03865	0.6
137.02467	1.0
138.03250	6.1
152.01183	1.3
153.05553	0.5
165.53339	0.5
166.02724	100.0
167.03038	3.0
167.07150	1.4
168.23529	0.4
174.01901	0.4
181.05077	57.3
182.05421	1.8
193.05099	0.6
196.03781	17.7
211.02585	0.8
211.04156	1.0
211.06122	16.8
212.06587	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1341
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
51.46956	0.3
53.08153	0.3
57.03426	0.4
58.47160	0.3
59.01355	0.4
59.19612	0.3
59.41367	0.4
60.45263	0.3
67.01878	1.3
69.70845	0.3
71.32134	0.7
75.26486	0.4
77.69746	0.3
81.07101	0.8
83.05054	0.4
84.43124	0.4
95.01407	0.9
96.64311	0.3
97.06595	2.8
109.06593	0.8
111.08160	0.5
117.69781	0.4
123.08147	0.4
125.09756	2.6
136.01636	0.5
136.33875	0.3
151.11238	0.4
154.06326	2.3
163.64661	0.3
163.66098	0.3
167.14426	4.1
183.13943	0.8
186.05325	1.1
195.10286	1.9
211.13405	100.0
212.13751	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1343
Annotation	Putaminoxin
Peak:m/z	Relative Intensity
57.03456	6.3
59.01376	5.9
60.99294	1.6
69.03464	8.9
71.05033	5.4
78.35576	1.1
83.05048	1.6
95.01392	1.6
97.06606	3.8
98.21732	2.3
104.96165	1.0
111.08111	1.3
119.96078	1.2
125.43375	1.3
139.11295	4.7
141.09193	2.5
149.13380	2.0
151.00354	1.5
151.03944	1.4
151.11275	1.7
164.98317	2.4
165.12825	2.2
167.10818	2.8
167.14426	8.9
193.12346	7.1
209.11798	1.7
211.13409	100.0
212.13780	4.9
228.90862	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1341
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
56.14896	0.5
59.01373	0.6
60.57519	0.5
69.03443	1.2
69.08458	5.1
71.80723	0.5
73.11935	0.5
77.64648	0.6
83.05042	0.8
95.01382	1.0
97.99926	0.5
109.06542	0.5
127.62511	0.6
134.03748	0.5
149.05832	0.6
155.10811	0.7
158.08900	0.5
164.98280	0.9
167.10779	0.8
167.14427	1.5
167.44551	0.5
175.11299	0.6
183.13905	16.4
184.14191	1.1
193.12285	3.0
211.13405	100.0
212.13747	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0559
Annotation	3-Phenoxybenzoic acid
Peak:m/z	Relative Intensity
57.03418	0.9
59.01373	1.0
71.28846	1.3
73.16243	1.0
85.00423	1.9
89.61088	0.9
93.03465	100.0
94.03790	2.3
143.86508	3.1
161.87579	1.3
169.06569	10.4
177.90247	1.8
197.99127	5.1
212.03656	1.0
213.01582	2.3
213.05569	14.3
213.14978	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1134
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
53.11607	1.0
57.38387	0.9
71.31487	1.3
72.22122	0.8
83.27721	0.9
93.03465	1.9
97.06597	1.7
109.66308	0.8
127.04034	0.9
130.41615	0.9
151.11285	14.9
167.74873	0.9
169.12354	100.0
170.12651	5.2
197.99187	2.0
213.05548	0.8
213.11319	13.2
213.15086	0.9
217.64374	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1497
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01369	0.5
60.66720	0.3
86.42622	0.3
93.03450	0.5
98.22515	0.8
104.76136	0.3
112.50612	0.3
128.15332	0.3
169.12355	0.5
177.12949	0.4
183.13907	30.6
184.14198	1.3
195.13908	24.6
196.14275	0.9
197.99130	1.2
211.13391	0.9
213.01605	0.4
213.14966	100.0
214.15327	4.2
219.88307	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0925
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
52.32187	1.0
57.03442	3.8
59.01383	100.0
60.01714	1.3
71.30005	1.6
73.02947	10.9
93.07121	2.3
95.05045	5.9
97.06605	4.9
111.08165	13.4
125.09730	1.4
135.01021	2.0
137.06105	1.6
141.05583	3.6
144.00931	3.0
153.09233	7.5
155.05917	1.9
155.07150	31.6
171.10287	28.6
197.08151	1.3
214.96629	1.5
215.01035	16.7
215.07224	2.0
215.09227	19.9
215.12805	1.3
216.01527	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0926
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
55.01876	1.5
59.01377	1.6
65.72886	0.8
69.06707	3.9
69.07127	4.0
70.12875	0.7
73.02950	100.0
79.05537	3.6
80.66413	0.7
95.05040	3.4
95.38795	0.7
97.06596	6.6
117.01939	1.0
120.79436	0.8
120.97372	0.7
123.04553	1.0
135.08125	1.0
141.05600	22.8
144.00902	3.0
153.09242	4.9
171.10281	18.4
190.72678	0.8
197.08244	1.5
215.01006	18.0
215.09259	7.8
215.12823	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0926
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
57.94808	1.0
59.01373	2.0
69.09467	11.3
71.01372	1.3
73.02950	26.6
83.91825	1.5
85.02961	5.5
85.06609	2.7
94.52094	1.3
97.06599	3.1
123.07329	1.7
123.08170	13.4
135.08195	4.0
141.09227	100.0
142.09564	2.6
142.23074	1.1
144.00943	1.4
153.08284	1.0
153.09230	34.7
171.10281	91.2
172.10631	2.5
185.08202	14.5
187.03983	9.6
197.08150	9.1
215.01031	9.3
215.03529	4.6
215.07391	1.2
215.09238	30.6
215.12833	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47315	0.1
56.50165	0.1
59.01390	0.3
60.80469	0.1
71.29015	0.1
71.29411	0.2
74.97423	0.1
79.95747	0.3
83.23847	0.1
96.96023	0.3
117.00451	0.2
119.93700	0.2
128.93855	0.2
136.94022	100.0
137.94090	4.9
138.94347	0.1
154.95062	0.7
169.00005	0.2
188.03485	0.1
194.56187	0.1
202.97087	0.1
216.89685	20.5
217.00291	0.2
217.89746	1.1
234.90749	7.1
235.90761	0.4
236.20789	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1082
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
51.17953	0.6
53.73664	0.6
59.01383	13.9
59.92657	0.6
61.49343	0.6
69.16425	5.3
73.02956	26.8
93.39583	0.6
95.05079	1.3
97.06596	9.9
99.08190	1.6
125.06097	14.8
131.07181	1.0
143.07156	100.0
144.07491	2.5
155.10791	22.9
156.11078	0.9
157.08777	0.7
174.99286	3.1
199.09785	4.7
217.00298	2.2
217.05075	1.6
217.10809	27.2
218.11343	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.067
Annotation	O-Succinyl-L-homoserine
Peak:m/z	Relative Intensity
51.56598	2.1
55.01875	9.0
57.03446	3.8
58.02964	3.1
59.01369	4.0
70.02987	3.8
71.01385	3.1
71.05021	11.7
71.29189	4.0
72.04546	4.6
72.24782	2.1
72.99305	5.4
73.02945	14.1
82.03002	16.9
82.26353	2.1
83.01398	67.1
83.05070	2.9
84.04572	3.8
85.02956	9.2
86.06099	4.2
87.00905	4.0
90.05608	7.7
90.13277	2.4
94.03002	2.9
96.04568	18.8
97.02972	13.9
98.02487	61.1
98.06126	25.1
99.00867	2.6
100.04072	5.2
101.02467	22.5
108.04570	6.3
110.60906	2.3
112.04061	4.5
114.05615	26.0
124.04066	17.4
125.02455	6.9
126.05638	30.7
128.07202	6.3
138.05620	7.5
142.05104	24.4
144.06671	3.7
145.01457	2.8
156.06656	9.0
156.36751	2.4
172.06192	29.3
174.07730	72.4
175.07986	2.3
196.27641	2.8
203.11398	2.3
213.97037	2.3
216.30075	2.2
218.06712	100.0
218.10278	6.4
219.05142	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1034
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.95493	0.6
59.01380	5.7
60.01701	1.8
63.48909	0.6
63.53035	0.6
64.12563	0.6
70.60731	1.8
70.61073	0.6
71.01385	10.6
71.05027	19.9
72.00917	1.0
82.26614	0.7
88.04047	100.0
89.04372	0.8
94.24535	0.6
99.04545	6.6
116.07169	2.9
129.05615	1.3
142.50032	0.7
146.08243	53.1
147.08449	1.3
148.42950	0.7
152.24892	0.6
175.06395	0.7
175.99614	1.0
218.00580	0.7
218.10341	22.2
218.12466	1.2
219.10570	0.7
219.17603	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03458	5.9
59.01381	25.0
59.91304	1.0
62.58632	1.1
67.01911	1.4
69.03446	4.0
69.46889	6.0
71.01386	3.2
71.05015	3.1
72.99300	3.0
73.02942	2.8
75.00854	1.9
78.95954	1.0
81.03463	32.1
83.01394	15.5
85.02959	20.3
87.00873	5.2
87.02766	1.2
87.04506	3.4
88.04045	4.2
89.04386	1.7
93.03487	1.4
97.02965	23.3
99.00867	1.5
99.04522	19.2
101.02450	26.8
113.06088	2.0
115.04031	9.1
125.02460	100.0
126.02728	1.8
127.00376	3.6
127.77173	1.2
128.60309	1.0
129.01942	4.2
139.04047	2.7
143.03499	7.8
145.01442	28.9
146.08168	1.2
147.08539	2.0
157.05057	5.7
157.08705	7.2
159.03006	16.9
159.06650	12.2
168.37460	1.2
187.02495	14.9
201.04024	2.7
201.07677	3.5
207.79655	1.0
219.03058	1.8
219.05002	13.0
219.06778	2.2
219.08743	5.1
219.17526	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05334	0.4
57.03445	1.0
59.01373	0.4
64.34319	0.4
69.28664	1.9
69.29074	1.0
69.65800	0.4
71.05013	0.7
83.05022	1.1
85.33327	0.4
91.28660	0.4
98.21705	0.4
109.02965	0.7
111.04535	3.7
119.08636	0.5
121.06595	0.6
125.06090	2.7
135.08150	0.5
137.09756	0.7
147.08086	0.5
148.05368	3.1
149.06114	0.4
149.09740	0.6
161.09747	3.2
163.07680	2.7
164.08444	0.4
166.06352	0.4
170.05824	0.6
175.07651	0.9
175.11310	0.7
177.12851	0.9
186.10515	0.8
188.08455	1.4
189.09239	4.0
189.12807	0.8
201.12871	10.1
202.13190	0.7
203.10797	12.9
203.12683	0.6
204.07951	1.2
204.11565	31.7
205.11937	1.3
219.13924	100.0
220.14224	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.6
59.01376	1.3
61.01827	0.3
61.98825	1.2
62.15096	0.3
65.98461	0.3
71.05017	0.5
83.05009	0.4
97.06608	0.4
100.05879	0.4
109.02941	0.7
111.04513	1.3
119.08666	0.4
120.34485	0.4
121.06595	0.4
125.06092	1.5
149.09753	0.9
156.04352	0.4
161.09721	0.8
170.05869	0.8
171.08107	0.5
175.07684	2.3
186.10512	0.8
188.08444	0.7
189.09248	4.0
189.12885	0.7
190.09523	0.6
191.10716	0.4
201.12860	9.4
202.13235	0.7
203.10786	13.5
203.12680	0.7
204.11552	31.9
205.11929	1.2
217.79825	0.4
218.45859	0.4
219.13905	100.0
219.17476	3.6
220.14250	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1392
Annotation	Glutinosone
Peak:m/z	Relative Intensity
59.62253	2.0
67.05544	20.1
72.30019	2.4
74.31855	2.3
82.21281	2.7
85.02939	4.2
107.65665	2.5
110.03738	36.9
111.04542	41.5
195.97363	2.8
210.26952	2.3
219.13911	100.0
220.14232	6.2
230.63512	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0817
Annotation	Methyl-4-(butyryloxy)benzoate
Peak:m/z	Relative Intensity
57.03449	2.0
59.01385	0.5
63.96248	0.5
64.97036	0.4
69.03460	0.7
71.05027	0.3
71.09228	0.4
71.09560	0.4
79.48936	0.2
79.95740	11.2
80.96516	5.4
81.03452	3.3
85.02965	0.4
88.92148	0.3
88.97041	2.7
93.03468	1.6
93.93647	0.3
94.98093	0.5
95.01404	0.5
95.05033	3.9
97.02956	6.9
98.03706	0.3
99.04536	1.1
105.03484	0.7
107.05036	0.3
108.02169	1.7
109.02961	19.7
110.03280	0.4
113.06100	1.1
117.03473	2.1
119.17366	0.3
120.98782	0.4
120.99663	10.3
121.02970	2.2
122.03744	7.1
123.04533	100.0
124.01637	0.9
124.04866	2.0
125.02438	0.4
133.03136	0.4
135.04521	4.1
137.02437	1.5
145.02959	6.2
146.03563	0.4
147.01164	0.4
149.02420	0.6
150.03236	9.3
151.04016	9.7
152.04370	0.4
154.02724	1.2
159.04541	0.4
161.06102	0.4
162.03271	0.6
163.02740	0.5
163.04030	6.5
164.04672	0.6
175.07652	1.0
177.02271	1.3
177.05626	0.3
188.04785	0.4
188.98726	0.3
191.00174	0.3
199.61816	0.3
203.07153	5.0
221.01270	15.0
221.08200	75.9
222.01532	0.6
222.08522	3.1
225.30008	0.3
234.25426	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65691	1.5
55.01875	6.0
56.01614	1.5
57.03453	23.6
58.00587	4.3
59.01383	100.0
60.04593	1.6
69.52162	4.0
69.52569	4.4
71.01385	65.9
72.99308	5.9
73.02956	25.9
75.00874	3.2
78.95917	12.9
80.96537	1.9
83.01385	17.8
83.05040	6.4
85.02959	48.6
87.00898	3.5
89.02459	6.5
92.05097	5.0
93.05397	2.9
95.01395	4.4
97.02965	2.6
97.06561	2.6
98.22190	5.2
99.00902	11.4
99.04543	2.0
101.02452	67.8
107.05043	4.5
113.02451	23.4
115.07629	1.5
119.03501	2.7
121.06590	21.6
123.08176	4.6
129.01949	3.1
133.06601	12.0
135.04575	2.0
135.08128	1.7
147.04530	3.8
147.08105	1.8
149.06041	1.9
149.09735	37.2
151.00572	1.5
159.03035	3.1
159.10297	2.2
161.04601	10.9
161.05830	2.2
161.09729	2.7
163.07701	3.5
164.07170	2.2
173.09720	6.9
175.07623	12.7
177.05574	1.6
178.98550	2.5
179.10780	19.3
189.94736	1.4
191.10786	28.4
220.99480	1.5
221.02780	1.8
221.04660	2.6
221.06705	1.9
221.10179	7.9
221.11874	28.8
221.13904	4.4
222.07796	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1548
Annotation	Polydactin A
Peak:m/z	Relative Intensity
50.33189	0.4
59.01385	6.3
61.98821	0.9
69.68108	1.9
86.65685	0.5
102.57446	0.5
105.44056	0.5
108.93819	0.4
121.02981	0.7
124.04020	0.4
149.09663	0.5
162.83896	1.7
162.91112	0.8
178.98491	1.4
184.87616	0.6
202.88678	1.0
203.14407	4.5
220.84528	1.0
220.99516	0.9
221.11890	3.2
221.15472	100.0
221.84222	6.7
222.07788	0.8
222.15782	5.0
237.88684	0.4
238.08235	0.5
243.09636	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60752	0.1
59.01374	0.2
61.32143	0.1
63.13278	0.1
72.25493	0.1
74.24428	0.1
101.06079	0.1
127.07682	1.0
148.05324	0.5
149.05914	0.3
151.07690	0.6
164.08418	2.0
165.09018	0.2
192.44482	0.1
205.12360	1.8
206.12695	0.9
207.13930	1.5
220.14714	4.2
221.15469	100.0
222.15811	4.5
235.13434	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19178	2.5
59.01382	32.6
59.15107	2.9
61.98809	6.7
70.41700	8.0
71.01380	2.8
75.01873	3.1
78.95924	3.4
79.95734	6.6
109.87003	3.0
111.04533	8.3
162.83916	6.9
162.91173	4.9
173.21333	3.7
178.98537	7.9
182.87923	2.7
186.64667	2.7
192.65645	3.2
202.88759	6.1
220.84647	8.5
221.12083	12.9
221.15485	100.0
221.84241	36.3
222.07700	5.7
222.15689	3.7
234.20020	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1549
Annotation	(-)-Kobusone
Peak:m/z	Relative Intensity
55.66026	1.4
59.72127	1.3
63.53323	1.4
64.30717	1.6
66.85588	1.3
67.05536	18.4
68.98180	1.5
69.14300	10.1
69.14723	3.3
95.39085	1.6
98.22520	2.9
108.31874	1.6
110.03754	21.4
142.91902	1.4
177.16458	2.3
180.74068	1.4
185.80865	1.5
221.15479	100.0
222.15833	3.8
244.39861	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0285
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
55.24188	0.1
59.96728	1.3
62.53518	0.1
68.09259	0.2
69.03726	1.6
69.37827	0.2
73.01138	0.1
74.99074	19.0
75.96215	0.9
75.99036	0.4
78.26637	0.1
90.66915	0.1
93.00134	6.7
112.00177	0.2
122.82020	0.1
129.19279	0.1
149.00961	13.3
150.00990	0.4
150.98863	0.8
159.47342	0.2
179.93048	0.2
206.99698	6.0
207.99722	0.3
208.97493	0.2
223.02843	100.0
223.13351	0.6
224.02873	6.6
225.00769	0.2
241.03883	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00962	1.3
55.01879	4.1
57.03448	15.8
59.01378	11.6
68.99825	1.7
69.46869	6.9
71.01383	15.0
72.99294	5.1
73.02935	3.0
73.10575	1.3
74.99107	2.0
75.00874	5.8
76.17510	1.4
78.95912	12.7
81.03507	1.3
83.01395	9.8
84.02158	2.4
85.02958	100.0
86.03292	1.8
87.00870	6.4
99.00883	3.2
101.02456	10.0
103.04021	1.5
111.00888	47.5
112.98845	2.0
119.05022	1.5
125.02451	4.4
129.01952	33.7
143.03522	1.9
147.03020	8.3
161.04593	2.2
164.52760	1.4
174.32805	1.5
177.57329	1.5
187.02443	2.5
205.03537	36.8
206.03897	1.9
223.02710	2.5
223.04588	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59480	0.8
55.01873	4.3
57.03452	17.4
59.01381	9.6
67.01875	1.9
68.99821	1.7
71.01040	0.5
71.01386	15.8
71.28876	0.8
72.11478	0.8
72.99318	7.9
73.02962	3.4
75.00883	7.4
81.95329	3.3
83.01397	11.5
84.02172	3.1
85.02955	100.0
86.03300	1.8
87.00880	5.1
88.99992	0.8
89.19096	0.9
93.03454	1.9
99.00896	1.6
101.02444	13.3
103.00386	1.8
103.04014	1.9
109.02940	0.9
111.00891	44.8
112.01259	1.1
121.02977	2.2
122.99240	2.7
123.04588	1.2
125.02477	1.0
129.01955	29.0
134.15681	0.8
135.04521	2.8
143.03496	1.2
147.03026	7.3
149.02455	2.7
152.01155	0.9
159.03021	1.4
161.04561	1.9
163.04013	1.3
164.04865	2.4
165.01970	1.7
179.03493	1.1
179.07083	1.6
179.10910	1.1
180.07912	0.8
187.02483	3.0
193.01447	5.0
195.04646	0.9
205.03540	40.3
208.03781	6.2
223.00937	2.5
223.02693	3.5
223.04512	23.6
223.06113	2.5
223.08354	1.2
223.09514	1.0
223.13379	2.5
224.04848	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.4
57.03449	19.9
59.01383	10.3
63.69766	0.9
65.00331	1.1
67.01895	1.8
68.99812	1.5
71.01389	13.2
71.30430	1.4
71.30824	1.4
72.99316	6.2
73.02956	3.0
75.00878	8.1
83.01389	12.1
84.02181	3.7
85.02958	100.0
86.03318	1.4
87.00870	4.9
87.34858	1.0
93.03448	7.0
98.08810	1.1
101.02448	11.8
103.00372	1.6
103.03996	1.4
109.02918	1.2
110.80022	1.0
111.00891	44.4
113.81295	1.0
121.02969	14.5
129.01958	29.2
135.04544	7.7
136.01678	1.2
143.03522	1.5
147.03014	6.4
149.02446	28.8
150.02835	1.1
152.01212	6.9
161.04517	2.2
163.04036	9.5
164.04813	21.6
165.01913	7.0
169.05109	2.7
172.56511	1.1
173.01053	1.6
179.07135	4.7
187.02458	2.1
193.01421	33.4
205.03545	33.0
205.05388	2.1
208.03769	44.7
209.04108	1.3
213.09146	0.9
223.04584	24.7
223.06235	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.1
57.03224	1.8
57.03450	21.2
59.01388	9.4
68.99822	1.8
71.01395	17.1
71.27052	2.3
71.27429	1.6
72.99311	12.8
73.00919	1.5
73.02928	2.0
75.00876	8.5
77.88666	1.8
78.95920	10.8
81.03461	3.6
83.01015	1.4
83.01408	12.5
84.02164	3.6
85.02959	100.0
85.68435	2.0
86.03284	2.3
87.00871	5.7
87.47713	1.9
99.00888	2.4
99.78533	2.1
101.02448	15.5
103.00378	2.6
111.00893	44.5
112.98794	2.4
113.02480	2.5
123.69350	1.8
125.02450	11.3
128.05435	1.8
129.01965	35.9
132.34694	1.9
143.03500	5.1
147.03053	9.8
161.04507	4.5
184.94470	1.9
187.02492	4.6
205.01613	3.2
205.03534	48.8
223.02505	3.2
223.04625	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0612
Annotation	Sinapate
Peak:m/z	Relative Intensity
65.83363	1.2
67.01883	1.0
71.29848	1.2
93.03455	17.3
106.45565	1.2
109.02972	2.3
119.40872	1.1
121.02963	26.4
123.04528	1.0
126.71588	0.9
129.18028	0.9
135.04529	11.7
136.01620	1.2
137.02454	3.5
148.01689	1.1
149.02441	62.2
150.02847	1.3
151.04031	1.5
152.01160	17.7
163.04008	16.4
164.04794	36.7
165.01920	15.4
165.05110	0.9
167.03569	2.5
169.05089	6.9
179.07159	14.5
179.10745	2.4
193.01425	74.9
194.01726	2.5
208.03777	100.0
209.04060	3.6
223.02937	4.9
223.06116	39.9
223.09764	3.1
224.06473	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0613
Annotation	Sinapate
Peak:m/z	Relative Intensity
52.44109	0.9
54.93788	0.8
57.03445	1.0
58.05930	0.8
59.01372	1.8
65.00312	1.7
67.01888	1.1
71.01377	1.7
71.29797	1.6
75.00896	1.1
82.48208	0.8
85.02969	7.4
93.03466	22.8
103.25548	0.7
109.02994	1.7
111.00879	3.2
117.03484	0.8
121.02968	40.9
122.03271	1.4
129.01945	1.3
134.03781	1.0
135.04556	14.8
136.01663	1.3
137.02458	2.9
147.03116	0.9
148.01683	0.9
149.02451	72.5
150.02829	2.3
151.04074	2.1
152.01169	20.8
163.04021	21.7
163.05394	1.2
164.04807	42.0
165.01956	15.9
165.05177	1.1
167.03516	2.9
169.05049	9.2
179.07159	11.8
180.04227	1.4
193.01424	81.6
194.01750	2.8
195.03181	1.2
205.03540	1.9
208.03778	100.0
209.04115	3.7
223.06142	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.6
59.01384	1.4
67.01875	1.5
69.18017	2.3
69.18414	10.7
71.01376	2.4
72.99304	2.1
76.71284	1.4
80.51026	1.3
85.02959	15.0
93.03473	17.6
99.92365	1.7
109.02956	2.0
111.00908	6.1
121.02972	32.2
126.10909	1.3
126.79937	1.3
129.01979	3.3
135.04517	11.3
136.07675	1.8
137.02452	3.8
149.02446	62.6
150.02827	1.8
152.01170	17.9
163.04042	19.1
164.04805	38.3
165.01950	16.2
165.05177	1.5
167.03479	2.6
169.05040	7.8
179.07092	14.4
193.01419	80.5
194.01775	1.9
194.37418	1.4
205.03561	4.8
208.03767	100.0
209.04108	2.6
223.06169	50.7
224.06415	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.1
81.07108	3.5
85.03005	5.0
85.06593	5.0
111.04536	3.7
135.11823	24.1
161.09743	9.8
179.07359	4.0
179.10786	100.0
188.42039	3.9
193.01408	5.4
208.03796	9.2
219.50635	3.7
223.02792	10.2
223.06046	6.4
223.09831	7.6
223.13463	4.4
228.85394	4.9
233.50230	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0974
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
56.55642	4.7
57.55573	4.6
62.13985	4.6
68.88440	4.9
113.83281	4.9
114.35318	5.9
135.11832	31.2
179.10776	100.0
180.11160	8.1
223.02823	7.6
223.09647	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31913	13.8
79.23519	7.4
85.91123	7.6
90.26694	8.0
95.41782	7.7
121.03069	8.1
135.11848	37.8
135.12753	9.5
161.09705	11.8
176.98354	10.1
179.10803	100.0
194.99382	9.6
208.03770	14.1
222.59424	11.4
223.02776	27.1
223.13454	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.7
70.41270	0.9
70.41599	1.5
74.99066	0.8
81.07113	1.7
92.68613	0.7
94.77159	0.6
97.02963	5.3
109.06614	0.7
123.04533	4.0
143.03372	0.7
161.09767	2.7
177.09253	1.6
179.10793	55.4
180.11127	2.5
208.03781	1.6
214.51442	0.7
222.00359	0.7
223.09775	100.0
224.10088	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	6.0
59.01369	5.2
59.35193	4.2
67.01894	9.7
69.45351	22.2
69.45754	11.7
71.01376	10.6
74.01261	4.0
83.05033	6.4
85.02926	11.6
93.03465	64.1
98.22572	10.2
101.72279	4.3
111.04536	23.5
111.97997	5.8
116.45123	4.9
126.62771	5.4
127.04066	5.8
135.11818	19.3
155.03502	4.7
159.04523	5.5
172.05278	14.0
173.04538	19.2
173.05946	6.7
179.10785	81.3
187.07671	100.0
193.01425	11.3
201.05515	14.4
202.06326	16.2
208.03755	7.8
213.09280	7.7
223.06116	9.4
223.09921	9.5
228.08066	5.5
231.10297	22.7
241.00694	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46427	5.4
69.10365	52.7
135.11852	27.6
179.10794	100.0
208.03828	6.2
223.02693	7.1
223.09741	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0977
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
56.78386	6.0
66.96504	6.2
67.23454	6.2
69.11645	15.9
69.12059	51.4
73.02963	9.2
85.35948	5.9
90.82624	6.4
94.08154	6.2
98.21765	9.8
100.92470	6.0
117.38488	6.2
135.11780	40.6
161.09517	7.8
179.10789	100.0
185.24960	6.9
194.99211	7.4
223.02855	11.6
240.74867	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03291	15.7
69.03692	87.2
79.01764	9.8
94.07542	12.3
95.74785	11.9
98.22336	52.7
118.41245	12.4
135.11844	38.4
157.62061	12.8
161.09685	15.8
165.57957	10.2
179.10800	100.0
223.02873	14.7
225.17764	11.5
234.04451	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1342
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
59.01377	6.4
61.98818	1.6
68.56349	1.3
69.03474	7.6
71.05012	1.7
72.71541	1.1
79.98674	1.4
85.06584	1.3
95.05018	1.6
97.21774	1.2
109.06599	1.9
141.09244	1.6
166.06433	2.2
167.10768	11.0
171.29521	1.4
176.83629	2.0
179.10783	5.1
179.14455	11.7
195.13905	32.9
196.14211	2.1
205.12354	22.5
206.12608	1.8
215.56107	1.3
223.02821	3.1
223.13411	100.0
224.13748	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1705
Annotation	Myristic Acid Alkyne
Peak:m/z	Relative Intensity
51.98315	1.7
54.04196	1.7
56.27721	1.6
59.01372	6.4
60.27625	1.6
67.84161	1.5
83.05019	1.5
97.38614	1.5
135.90918	1.8
166.06435	2.7
176.83701	2.0
176.98351	2.2
178.99828	2.8
194.99342	2.4
204.15720	1.9
205.16010	4.8
223.02849	8.8
223.13795	10.4
223.17041	100.0
224.17400	2.5
226.18826	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45592	0.4
57.40927	0.4
58.00588	0.6
59.01382	1.3
61.62313	0.4
63.94299	0.4
64.85784	0.4
69.14523	2.5
69.14943	0.9
71.01383	5.2
73.02950	100.0
74.03312	1.0
83.43768	0.4
85.02956	1.2
87.04525	1.3
98.22414	1.6
99.08162	0.7
126.10382	0.4
137.09773	1.2
141.05556	0.5
143.41414	0.4
153.09254	0.4
175.11339	0.9
177.12923	0.7
179.10825	1.4
193.01541	0.5
205.12326	3.9
207.13927	7.3
208.03789	0.6
219.13945	1.0
221.15475	4.4
223.02734	2.2
223.06097	0.5
223.09750	0.6
223.13657	0.8
223.17032	10.8
223.19109	0.8
232.34566	0.4
239.68640	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
58.00599	1.3
59.01375	0.6
59.74933	0.4
61.98843	1.2
71.01387	4.7
72.47369	0.4
73.02953	100.0
74.03289	0.6
85.02980	1.6
86.41544	0.4
87.04536	0.9
97.06657	0.5
99.08179	1.0
123.77936	0.4
153.09271	0.6
175.11336	1.3
179.10844	0.6
193.01553	1.0
205.08730	0.4
205.12347	7.8
207.13908	14.3
207.15828	0.7
208.03918	0.8
208.14236	0.8
221.15546	1.8
223.02722	2.3
223.06107	0.7
223.13486	1.6
223.17021	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	10.7
57.03737	0.5
59.01375	0.7
63.25048	0.3
71.05030	0.7
71.31721	0.2
73.02942	0.4
74.61626	0.2
77.22604	0.3
81.03467	3.2
83.01403	1.9
85.02980	0.3
88.47254	0.2
93.03472	1.4
95.05016	1.8
96.96007	1.6
97.02957	5.2
99.00884	0.9
109.06602	0.3
115.04021	0.7
116.64332	0.2
119.05032	2.5
121.02947	0.3
122.03757	0.6
125.02458	100.0
126.02800	1.9
135.04533	0.4
137.02530	0.4
137.06094	6.2
150.03145	0.3
157.73912	0.3
163.04022	2.2
166.39082	0.3
181.05087	3.8
187.07729	0.3
188.08014	0.7
207.10306	0.4
225.04063	5.2
225.07468	0.4
225.11343	0.9
231.10422	0.3
232.10577	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.077
Annotation	Ficusol
Peak:m/z	Relative Intensity
58.00596	13.8
59.01370	11.3
69.50700	8.7
71.01373	3.0
78.95923	3.8
79.95730	3.0
82.02998	6.3
93.03462	12.4
95.05022	2.6
96.92780	2.5
98.38092	2.5
108.02190	2.8
109.02965	14.3
109.06593	3.2
110.44387	2.3
112.04107	2.7
121.02939	4.2
124.01692	3.1
125.02483	3.6
135.04573	2.6
137.02454	44.7
138.03201	2.8
139.04018	3.7
147.04539	3.0
151.04002	5.5
152.04829	6.5
153.01978	4.1
154.08595	2.1
163.04131	2.6
165.01912	13.5
165.06734	3.6
167.03505	21.8
167.07137	3.4
177.01862	3.8
178.02765	2.6
180.04333	4.6
181.01448	2.6
181.05077	4.1
181.09882	11.6
184.03748	5.1
193.04958	2.8
195.03001	100.0
195.06723	3.9
207.06622	2.6
210.05357	85.2
225.00491	5.5
225.04161	4.1
225.07521	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
67.01896	0.9
69.30054	4.1
69.30463	2.1
75.00872	6.5
93.03455	4.5
104.11761	0.8
109.02971	4.8
111.49805	0.8
113.06981	1.0
120.14378	0.8
120.49564	0.9
120.69051	0.9
121.02963	7.6
135.04486	1.0
137.02451	31.2
138.03198	1.0
142.40034	1.0
151.04002	1.7
153.05528	1.0
159.40666	0.9
165.01942	97.3
166.02266	2.8
166.06364	17.0
171.05803	0.8
171.95924	0.9
178.24791	0.9
179.03555	1.8
180.04292	100.0
181.04581	2.7
181.06635	2.2
181.08743	1.0
183.04565	0.9
195.01172	2.1
195.02991	38.6
195.06631	89.5
196.06894	4.5
209.04552	1.3
210.05345	54.0
211.05679	2.4
225.00420	1.1
225.05629	4.6
225.07683	41.2
225.11172	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	1.4
65.03967	8.6
69.30054	3.9
73.18456	0.7
79.05518	2.3
82.46320	0.7
93.03476	3.4
95.05041	1.8
103.05539	3.3
121.02983	1.2
145.30328	0.8
147.04478	1.3
165.07104	4.5
167.52122	0.7
178.83397	1.6
179.08624	5.4
180.09399	1.3
181.10236	100.0
182.10609	3.6
223.07661	0.8
225.00438	1.0
225.09232	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65965	0.7
59.01366	1.4
61.98834	1.4
63.04194	0.6
63.94495	0.8
65.00329	1.1
65.03969	11.7
69.15289	0.7
79.05531	2.3
93.03465	7.1
95.05035	3.9
102.04791	0.9
103.05535	3.9
110.24210	0.7
120.31786	0.7
121.02963	1.3
126.90559	1.3
131.44742	0.7
132.88097	0.6
136.98836	2.1
137.02415	1.3
139.82788	0.7
141.86780	1.1
143.86505	1.2
147.04544	2.1
149.85576	0.6
151.20465	0.6
165.07080	4.6
178.07892	0.7
178.83385	4.9
179.08670	2.7
180.09416	1.6
181.10242	100.0
182.10561	4.3
207.10286	1.7
225.00487	2.8
225.09323	7.4
225.11316	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
59.01379	3.6
66.03104	1.3
71.67579	1.5
73.02955	19.8
95.05067	3.0
127.02041	1.5
128.49237	1.4
163.11282	16.0
181.12352	100.0
182.12711	3.8
207.10324	2.5
225.05551	3.5
225.11310	24.1
226.11606	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	Chloriolide
Peak:m/z	Relative Intensity
59.01382	3.6
65.00320	1.2
73.02941	0.7
80.02689	0.6
81.03461	1.7
83.05075	1.3
84.02203	0.8
93.03457	5.3
95.05019	0.7
97.02966	11.6
99.00892	1.1
106.04440	0.7
109.06604	13.1
110.03751	4.1
111.04556	0.8
121.06562	1.2
135.08197	1.9
136.05313	2.6
137.02435	1.0
142.02745	5.6
161.09747	0.8
163.11301	13.8
164.11646	0.8
165.09315	0.7
178.83313	1.1
179.10797	1.0
181.12367	14.9
206.99367	0.9
207.10283	72.4
208.10574	2.6
225.00443	2.4
225.11340	100.0
226.11684	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15697	0.5
50.82344	0.5
56.21598	0.5
57.38864	0.5
59.01382	4.6
68.95798	0.5
69.03488	0.8
71.05027	0.6
71.15565	0.5
71.32417	0.9
72.89100	0.4
80.02724	1.2
81.03496	2.1
83.05073	2.2
84.02195	1.2
93.03451	2.8
95.05084	0.7
97.02966	11.0
99.00925	1.6
107.05054	0.7
109.06603	19.7
110.03750	3.7
111.04566	1.5
121.06625	1.3
123.04563	0.8
125.09737	1.1
135.08185	3.0
136.05348	2.8
137.02477	0.6
142.02719	7.0
151.07669	0.8
151.11340	0.6
161.09718	1.2
163.11298	18.4
179.10786	1.5
181.12355	16.9
182.12643	0.5
183.04588	0.5
189.09315	0.8
197.11949	0.9
207.10287	84.4
208.10693	3.9
208.97504	0.6
225.11342	100.0
226.11676	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.9
59.03159	1.4
59.11061	1.3
60.45403	1.3
67.42276	1.8
73.02941	6.3
81.03462	2.4
83.05031	1.9
84.02185	1.4
97.02962	12.9
98.21889	8.0
98.22575	3.1
109.06606	29.7
110.03734	6.1
135.08174	4.6
136.05249	1.8
142.02715	6.5
149.98305	1.5
153.18857	1.5
161.09695	3.8
163.11314	22.0
164.11641	1.8
181.12369	45.0
182.12686	2.3
207.10280	89.7
208.10617	4.1
225.11331	100.0
226.11620	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80748	1.0
59.01368	2.6
64.87980	0.9
83.05017	1.2
93.03452	1.4
97.02957	11.9
99.00896	4.8
109.06623	1.5
110.03754	4.9
111.04559	1.1
132.24414	0.9
135.08156	2.3
136.05310	2.6
142.02757	5.2
163.11307	12.4
181.12357	32.3
182.12813	1.6
197.11909	1.0
207.10286	81.1
208.10623	2.9
225.11337	100.0
226.11734	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1608
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
50.47778	0.5
55.85754	0.5
56.47515	0.5
58.02961	0.8
59.01378	2.4
69.03463	0.6
69.31324	3.8
71.01389	0.8
72.99300	0.9
80.05080	0.8
81.03460	16.9
83.05031	90.0
83.60392	0.7
84.05350	1.2
85.02930	0.9
93.03480	4.6
108.04591	1.6
119.05037	3.6
121.07445	0.6
122.43157	0.5
123.04525	0.6
125.07208	3.7
135.04558	1.6
137.02446	1.8
143.08289	3.5
163.04015	2.7
181.05104	1.3
181.06557	5.9
183.04514	2.3
197.06090	2.0
206.99361	1.1
207.02924	0.8
207.15033	10.8
210.05289	0.9
224.04778	1.2
225.00496	1.9
225.04001	2.1
225.05853	8.7
225.07727	1.5
225.16090	100.0
226.16418	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
55.81808	1.4
58.00601	7.0
69.03479	1.7
73.91973	1.5
81.03493	2.9
83.05029	6.6
84.02168	4.8
87.52924	1.5
90.51836	1.5
119.04767	1.6
121.58023	1.3
137.09828	1.5
139.00415	1.6
153.12933	2.3
155.14442	2.7
161.28653	1.4
163.11276	5.7
165.09244	1.7
165.12836	7.2
165.33649	1.6
169.12335	4.2
181.12375	5.9
183.13879	6.4
191.10823	2.4
197.15509	1.9
199.13419	57.8
205.57722	1.6
209.11853	84.2
210.12178	3.6
227.12915	100.0
227.16353	22.2
227.20100	2.9
228.13258	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
61.79253	0.6
69.43179	3.5
71.05004	0.9
80.02683	1.8
81.03471	1.7
83.05033	6.7
84.02150	3.0
95.05048	0.9
98.21781	1.4
124.10613	0.7
125.06097	1.0
135.08299	1.0
148.88116	0.6
163.11292	5.9
165.12827	3.6
181.12279	0.7
191.10796	1.8
209.11836	100.0
210.12181	5.3
227.12865	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37526	0.6
71.05038	0.8
74.49252	0.5
80.02682	2.2
81.03456	2.3
83.01390	1.1
83.05038	6.9
84.02174	4.3
92.27855	0.6
95.05022	0.9
98.22385	2.9
100.03994	0.6
109.06579	0.8
124.30534	0.6
135.08156	1.3
163.11317	5.1
165.12874	4.1
181.12349	1.1
191.10846	1.3
201.07805	0.7
209.11844	100.0
210.12180	4.5
216.50514	0.7
227.12975	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73635	1.2
57.03453	2.4
57.12228	1.2
59.01390	1.0
83.05051	3.6
97.06597	2.5
98.21760	1.9
98.22431	3.6
101.65756	1.0
111.08190	6.4
112.30069	1.1
137.27928	1.0
163.11255	2.4
165.12863	35.7
183.12593	1.0
183.13905	39.7
209.11844	44.5
227.03552	1.4
227.12909	100.0
228.13205	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
52.37896	0.6
67.92822	0.6
78.95923	0.6
83.05029	0.6
90.19709	0.5
111.08194	1.4
165.12859	17.9
166.13177	0.6
183.13910	100.0
184.14227	4.0
209.11906	2.3
227.10728	1.0
227.12889	14.0
227.16385	0.7
227.20187	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0508
Annotation	Bis-noryangonin
Peak:m/z	Relative Intensity
58.73546	0.8
59.01384	8.6
65.00323	5.5
67.01888	4.0
80.85685	0.9
93.82079	1.0
98.21780	1.7
115.05556	9.6
117.03477	3.4
117.07106	1.5
119.05051	5.5
120.55999	1.0
129.07126	5.3
129.78946	0.9
130.04292	1.5
131.05075	9.7
133.02948	2.3
133.06590	5.0
135.98318	1.0
139.05576	1.1
141.03473	1.6
141.07071	1.2
141.09218	1.9
143.05042	8.1
145.03011	1.2
145.06564	1.2
146.03790	1.2
149.02449	11.3
155.05093	2.0
156.05835	3.1
157.06596	17.1
158.03693	2.8
159.04535	28.2
161.06116	7.2
166.23849	1.0
167.05002	6.8
169.02982	2.1
171.04543	2.1
172.05334	2.3
173.06111	8.8
175.04008	1.1
183.04520	9.2
185.02512	4.4
185.06091	18.3
185.11823	4.1
187.04019	33.2
199.04054	1.6
200.04756	3.0
201.05583	19.9
211.04010	12.6
228.04221	1.8
229.05066	100.0
229.10802	2.4
230.05388	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.1
65.60664	0.5
71.31888	1.0
82.32095	0.5
83.04994	0.7
84.02187	0.6
125.09723	2.2
127.11298	3.7
130.06671	1.0
155.14426	1.5
157.81781	0.5
167.14424	1.7
169.44722	0.5
171.10295	3.9
182.35278	0.5
183.13841	1.1
185.07231	2.2
193.12331	1.1
196.74202	0.5
200.04649	0.5
209.11823	2.2
211.13417	9.4
229.14449	100.0
230.14778	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1447
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
50.83474	0.2
55.44944	0.3
57.03439	1.4
71.05015	1.0
83.05041	0.6
84.02163	0.3
85.02960	0.8
97.06597	0.4
98.21719	0.7
101.06096	0.3
118.63135	0.3
125.09735	4.8
127.11307	5.5
155.14409	2.4
165.12822	1.0
167.14445	1.8
171.10370	0.3
183.13878	0.4
185.15544	0.4
209.11896	2.0
211.13431	4.0
223.81615	0.3
228.89278	0.4
229.14455	100.0
230.14787	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1447
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03458	1.9
60.52841	0.3
68.43217	0.3
69.22574	1.4
69.23001	1.4
71.05032	0.5
83.05033	0.5
84.02174	0.5
85.02937	0.5
94.61763	0.4
97.06586	0.6
100.67397	0.3
113.34586	0.4
119.68228	0.4
125.09740	3.1
127.11316	4.5
132.11734	0.4
155.14450	1.9
158.03731	0.5
160.07771	0.4
165.12856	0.7
167.14381	1.6
171.10309	5.2
183.13953	0.7
185.15491	0.4
201.15079	0.5
209.11855	2.9
211.13440	6.3
229.14462	100.0
230.14764	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0129
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
59.01371	1.6
59.49353	1.0
66.03458	1.8
69.52446	7.0
73.01179	8.1
80.05075	3.0
82.02994	6.9
96.04558	29.6
97.25056	1.1
98.02485	1.3
98.22440	1.6
98.99105	5.6
99.02763	1.6
108.04562	28.7
114.00203	90.3
115.00494	1.6
127.66837	1.0
128.20898	1.0
142.03334	100.0
143.03690	2.9
151.02853	1.0
186.02309	36.6
188.09209	1.1
191.91637	1.2
230.01286	73.4
230.15581	1.1
231.01569	1.2
236.79875	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
66.31285	0.4
69.04942	1.0
69.05349	2.5
95.84384	0.5
108.02139	0.8
133.42972	0.5
224.79089	0.5
231.13908	100.0
232.14250	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1392
Annotation	alantolactone
Peak:m/z	Relative Intensity
66.33757	1.0
71.08392	2.1
72.99277	1.3
76.93030	1.1
80.08124	1.0
81.13480	1.0
97.02960	14.3
117.57980	1.2
127.87022	1.2
159.37904	1.2
170.88303	2.3
187.14937	4.1
206.02486	1.2
231.13914	100.0
231.17278	8.9
232.14250	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0615
Annotation	2-Hydroxy-6-oxo-(2'-aminophenyl)-hexa-2,4-dienoate
Peak:m/z	Relative Intensity
55.84129	0.5
56.92892	0.7
58.86589	0.6
59.01100	1.2
59.01384	19.6
66.82127	0.6
69.49043	3.4
71.01402	0.7
77.49789	0.6
83.01379	2.2
85.32513	0.7
98.22498	1.3
106.06620	1.6
106.30546	0.6
116.05083	4.7
128.05040	0.6
129.05856	4.3
132.04575	3.6
132.29936	0.7
137.13934	0.7
142.06636	36.0
143.06999	1.2
144.04587	3.3
144.08192	8.5
160.07681	2.2
161.04858	3.6
161.05943	0.6
170.06129	82.3
171.06444	3.0
187.98936	1.0
188.07181	100.0
188.98592	1.7
189.05968	0.7
189.07529	3.8
202.05127	1.9
204.06595	0.8
223.98715	0.6
232.06161	47.2
233.06535	1.3
233.15527	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0855
Annotation	CHEBI:83082
Peak:m/z	Relative Intensity
59.01381	1.3
69.15901	1.0
69.16332	0.7
79.95695	1.1
95.95241	0.2
96.96019	31.5
98.22070	0.8
102.03538	0.2
114.96164	0.2
123.34045	0.2
135.27187	0.2
151.11359	0.3
153.12898	0.2
163.36928	0.2
233.08536	100.0
233.15329	5.5
234.08861	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1032
Annotation	ascr#11
Peak:m/z	Relative Intensity
50.70913	0.6
51.34583	0.7
55.01881	1.8
57.03453	1.0
59.01383	40.3
64.08619	0.7
64.69189	0.7
70.79400	0.7
73.02950	100.0
74.03279	1.3
75.00871	0.9
79.05545	0.7
83.01405	2.5
85.02960	9.8
97.02950	3.1
97.06599	2.8
125.02433	1.8
133.14119	0.7
141.05598	7.0
145.06636	1.1
153.09219	1.4
159.06639	89.3
160.06972	3.7
171.10265	9.6
175.04047	0.8
188.98581	4.1
202.96332	0.8
215.09265	9.3
232.97517	3.3
233.04628	0.7
233.08348	0.8
233.10306	28.4
233.15466	34.9
234.10661	1.0
234.15907	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.5
60.03656	0.4
74.99072	8.8
76.26617	0.4
91.02258	0.5
93.00153	3.3
98.22619	0.7
100.83141	0.4
118.96294	1.1
134.99423	6.3
136.97342	2.6
143.05356	1.1
146.15341	0.5
149.00967	69.8
150.00940	2.3
150.98930	0.8
159.08490	2.1
161.06435	4.1
163.90723	0.4
167.01979	0.7
169.85536	0.5
215.05711	1.2
217.07222	100.0
218.07317	5.3
229.46771	0.4
233.10356	83.6
233.15378	12.0
234.10475	5.3
234.15782	0.5
235.08224	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1501
Annotation	Huperzine W
Peak:m/z	Relative Intensity
71.31435	0.4
71.31827	0.8
96.44202	0.4
120.14721	0.4
170.75018	0.5
179.07114	0.7
218.11824	2.2
219.12437	0.5
223.48871	0.4
234.14995	100.0
235.15314	3.4
244.43948	0.4
251.11610	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0614
Annotation	STELLATIN
Peak:m/z	Relative Intensity
50.37192	0.6
54.33140	0.6
54.33411	0.5
59.01372	1.5
67.30190	0.6
71.01409	0.6
71.29945	0.7
71.79919	0.6
93.03455	4.7
95.01394	0.7
99.00883	0.9
106.04250	1.8
108.02193	0.6
109.02955	1.0
120.02203	1.0
121.02950	2.1
123.00874	1.8
123.04430	0.9
133.02907	1.2
134.03767	7.3
137.02449	2.4
146.03741	2.0
147.04536	1.0
149.02480	1.2
150.03221	2.1
161.02464	3.8
161.06117	1.0
162.03241	50.1
163.04025	23.9
175.04053	2.2
176.04802	6.8
177.01939	13.6
177.05479	1.0
178.02722	6.7
190.02744	4.1
191.03546	5.4
192.04303	6.2
205.05173	3.4
207.06660	0.7
217.05101	1.8
218.02132	0.7
219.02948	2.0
220.03775	63.1
221.04082	2.6
233.04488	0.8
235.06125	100.0
235.13385	4.2
236.06531	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	13.1
57.03442	8.0
58.00597	4.6
59.01383	99.5
61.98847	2.4
70.81310	4.9
71.01387	96.4
72.99299	7.6
73.02951	43.7
73.06603	2.7
79.01036	1.9
83.01382	22.6
85.02481	3.8
85.02960	55.0
86.00108	1.9
87.00873	3.7
88.81893	1.9
89.02444	8.2
95.01395	4.7
98.22449	2.2
99.00880	13.7
101.02451	100.0
111.00887	2.6
113.02452	39.6
119.05087	2.3
143.07130	2.6
159.03091	4.5
161.04590	16.2
175.04033	3.6
191.03532	3.0
205.08681	3.2
209.13225	2.0
220.10985	3.4
235.06139	14.2
235.11644	8.6
235.13811	20.2
235.15996	2.6
235.16736	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1341
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
57.03445	8.9
59.01386	4.3
66.67725	1.7
69.03450	3.2
69.04547	14.9
69.04961	3.2
71.05022	1.8
88.27054	1.7
97.06602	2.2
113.09718	3.3
113.11679	1.9
137.09743	17.1
161.14287	1.8
175.11298	12.5
179.54811	1.8
189.12863	32.3
191.14406	17.3
207.13876	2.5
222.60733	1.8
233.11807	26.2
235.13397	100.0
236.13760	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.4
57.03457	0.7
58.23461	0.4
59.01369	1.1
61.98856	0.5
71.01382	0.7
71.29131	0.5
74.99113	1.3
78.95513	0.6
78.95918	3.3
83.01393	4.5
84.68771	0.4
85.02940	0.4
87.00855	1.1
93.03450	0.9
99.00888	1.1
101.02462	0.6
107.03783	1.7
108.04564	100.0
109.02966	0.5
109.04867	2.1
118.03005	3.4
119.13857	0.4
122.89373	0.4
124.00773	0.5
127.00383	2.1
127.24078	0.4
137.02464	1.2
146.06126	1.4
149.06143	0.6
151.69749	0.4
164.07162	1.2
174.05586	6.5
190.05112	5.5
192.06688	7.7
193.05347	0.4
194.98141	0.9
214.51041	0.4
218.04585	4.9
236.05661	8.0
236.13731	0.5
237.06424	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85877	0.6
59.50324	0.4
67.97169	0.3
70.31677	1.3
90.71738	0.3
93.83036	0.3
134.03751	0.8
135.04567	0.5
136.05281	0.5
148.05322	9.9
149.05978	0.4
149.09721	1.4
162.06918	0.5
175.07555	0.4
176.08458	0.7
177.09225	46.3
178.09592	2.2
190.10034	1.6
191.10835	0.7
192.11578	32.5
193.11955	1.7
201.09256	0.7
203.07101	0.7
217.08752	3.5
218.09497	8.7
236.10553	100.0
237.10921	3.7
255.58864	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0406
Annotation	3,4-Bis(methoxycarbonyl)benzoic acid
Peak:m/z	Relative Intensity
51.93391	0.6
59.01367	1.0
70.33270	1.6
78.95946	0.9
82.65195	0.6
83.60420	0.6
93.03431	0.8
99.04020	0.7
100.11258	0.6
106.04279	2.2
121.02956	3.7
123.08197	0.8
133.02963	6.9
134.03755	100.0
135.04102	2.7
137.02458	19.9
139.04030	6.9
149.02470	2.1
149.06096	18.4
150.03206	1.7
177.02019	0.7
178.02727	58.0
179.03116	2.0
193.01463	1.2
193.03316	1.2
193.05075	20.9
222.01692	11.1
237.04059	79.6
238.04442	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07606	0.8
57.03451	1.9
59.01386	2.4
71.01369	0.8
71.04867	1.4
72.99313	2.6
75.00874	3.0
78.95912	5.0
82.12926	0.7
85.02968	2.7
87.00884	100.0
88.01247	0.9
93.76722	0.8
98.22446	0.8
98.47130	0.8
99.00838	1.1
123.13615	1.0
129.01956	14.4
134.61334	0.8
142.80417	0.8
147.03004	1.0
184.88559	0.9
237.06094	3.9
244.51614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50177	0.9
57.03438	1.1
59.01375	1.9
65.23344	0.9
71.01393	1.3
71.03673	1.9
72.99332	1.2
75.00880	1.4
78.95914	5.9
85.02954	3.4
87.00883	100.0
87.04514	1.1
88.01211	1.0
129.01958	14.6
160.66457	0.8
161.36584	0.8
200.22679	0.9
204.53055	1.1
237.06226	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	10.2
57.03455	8.6
58.00601	3.7
59.01382	84.9
69.92188	8.7
71.01386	91.5
72.99310	6.3
73.02953	44.5
75.00879	4.4
83.01389	20.3
85.02956	64.1
87.00881	10.7
89.02458	14.3
95.01408	7.0
97.02966	3.6
98.21963	3.1
98.22464	2.4
99.00887	15.6
101.02448	100.0
104.81598	1.9
109.02985	2.0
111.00888	3.3
113.02461	41.4
119.03468	3.2
125.02422	2.0
137.02502	4.6
143.03496	4.8
159.02980	7.5
161.04591	36.9
188.73953	1.9
205.03638	2.0
237.09821	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1498
Annotation	Oxyphyllenodiol B
Peak:m/z	Relative Intensity
55.08916	0.9
59.01380	14.4
63.02442	0.8
78.95946	0.9
80.02652	1.1
81.03447	5.9
85.02949	1.1
122.03745	1.9
123.08184	5.4
125.09728	10.4
137.09711	3.2
149.09752	4.2
163.07594	1.1
163.11217	0.9
165.12856	8.4
169.08690	2.2
178.09993	3.1
179.10780	21.0
191.14392	1.9
193.08714	1.2
193.12392	1.2
193.16008	3.2
219.13911	2.2
220.06516	1.0
237.14954	100.0
238.15294	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1499
Annotation	Oxyphyllenodiol B
Peak:m/z	Relative Intensity
51.33478	0.4
57.03451	0.6
60.99310	0.8
69.01313	3.6
71.01396	0.9
83.05026	0.4
131.05978	0.4
138.46948	0.5
152.01556	0.4
163.11218	0.5
165.12849	7.8
165.70090	0.4
177.12865	0.6
179.10811	0.6
191.14423	2.8
193.12355	1.8
193.15987	2.5
209.15469	8.0
217.65491	0.4
219.13928	1.5
237.14967	100.0
238.15298	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1498
Annotation	OPC-4:0
Peak:m/z	Relative Intensity
51.63680	0.9
51.83884	0.9
59.74843	1.1
62.48373	1.0
62.92715	1.1
63.01451	1.1
73.03825	1.1
78.46778	1.1
78.95905	1.6
83.05009	1.3
92.19261	1.1
95.05020	1.9
97.06602	11.5
125.02468	5.2
125.09720	3.0
127.51334	1.0
137.09726	1.4
139.11261	1.1
140.03725	1.9
140.04808	31.8
141.05199	1.3
149.09752	6.5
149.10738	1.1
151.11288	1.9
167.10733	4.9
177.12894	1.7
179.10719	1.2
191.14412	3.6
193.15974	100.0
194.16344	6.2
235.61784	1.0
237.07594	1.3
237.14961	37.8
238.15340	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0722
Annotation	Phomonitroester
Peak:m/z	Relative Intensity
59.01368	2.0
61.53582	1.0
70.72572	3.0
71.01382	9.9
72.50181	1.0
72.98917	1.5
72.99309	23.7
92.05069	18.6
99.00893	3.3
114.05898	1.1
118.06635	4.9
120.04565	22.0
128.05080	20.7
130.06635	100.0
131.03775	11.5
131.06973	2.3
133.06589	1.3
144.04572	4.2
146.06126	44.2
148.04028	15.5
148.07742	3.7
158.06114	15.5
172.04065	4.7
174.05588	5.2
176.07179	26.1
192.06760	1.1
210.07724	7.9
220.06152	36.4
238.07245	64.6
239.07437	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96705	0.5
70.29599	0.5
74.99074	11.3
75.96222	0.4
91.02211	9.8
93.00137	3.8
143.66351	0.2
149.00952	5.3
150.98848	0.2
198.39464	0.2
198.56200	0.2
199.93335	0.2
200.56882	0.2
206.99718	3.2
207.01593	0.2
223.02834	100.0
224.02872	5.1
239.06021	0.7
239.16525	0.8
241.03879	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82795	3.6
57.03447	12.4
58.47703	4.0
58.99580	5.9
59.01381	91.8
69.03477	7.3
69.24030	29.2
71.01387	39.0
71.92059	4.3
72.99313	6.4
73.02926	4.6
78.01022	3.7
78.95901	16.1
85.02961	68.9
87.00887	16.4
89.02460	34.8
99.00855	4.0
101.02460	12.1
111.04534	8.4
113.02435	6.9
129.01962	9.2
131.03471	31.7
137.02505	6.7
139.07651	6.0
149.09671	5.4
161.04562	15.5
165.05573	8.9
178.95988	10.5
179.05638	37.8
179.10701	4.7
195.06580	5.6
221.06683	100.0
221.11636	3.9
234.73918	3.8
239.07767	91.4
239.12944	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0926
Annotation	CMPF
Peak:m/z	Relative Intensity
53.49913	1.8
57.03433	3.6
57.68747	2.0
59.01345	2.6
59.63855	2.1
69.03452	10.8
69.06611	20.5
71.05014	2.6
71.39870	1.9
73.02950	13.2
81.07600	2.0
83.05027	17.4
85.02950	4.8
87.00903	3.1
93.07021	2.0
95.05027	5.2
96.96025	12.1
97.02972	14.6
97.06609	14.8
97.36350	1.8
99.04517	4.1
107.05013	2.1
109.06614	6.0
111.04527	3.9
113.02462	26.3
115.04035	4.8
125.06115	6.9
127.03979	4.7
128.89296	2.2
133.10246	55.7
141.05571	3.7
146.02209	2.5
151.11292	39.4
177.09219	100.0
178.09573	3.0
179.03618	1.9
187.99339	2.0
195.10266	9.0
195.13951	7.2
204.30661	2.5
223.02899	3.1
239.03456	2.4
239.09236	24.2
239.12845	9.6
239.16554	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0926
Annotation	CMPF
Peak:m/z	Relative Intensity
57.03453	23.9
59.01369	4.7
60.35105	3.9
62.43277	3.5
64.71884	3.4
65.46392	3.4
69.03441	10.2
69.08285	6.3
69.08688	28.9
71.01387	6.1
71.05022	5.2
73.02947	65.0
82.53577	3.2
83.05028	34.2
85.02965	10.6
95.05026	10.6
96.96014	3.6
97.02946	12.8
97.06590	18.2
99.04513	7.6
107.04400	3.7
107.05022	18.9
109.06612	8.8
113.02498	8.3
115.03962	3.6
120.43114	4.5
125.06087	11.5
133.09372	4.2
133.10204	25.1
149.09750	4.6
151.11310	21.6
159.08134	6.0
177.09225	20.1
195.04465	5.1
195.10239	8.3
195.13916	7.4
221.08246	4.1
221.11761	7.7
223.02831	11.5
239.03496	6.5
239.06889	7.3
239.09235	100.0
239.12872	22.1
239.16484	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0926
Annotation	CMPF
Peak:m/z	Relative Intensity
54.62735	0.9
57.03443	2.0
59.01383	100.0
63.40653	1.1
64.37619	1.1
71.29293	1.1
73.02943	2.0
81.03461	1.9
83.05025	1.6
85.02935	1.1
95.05053	3.0
97.06602	3.8
109.06593	3.4
121.02975	7.2
124.93900	1.2
133.06540	1.1
133.10191	1.4
135.08150	3.2
137.02388	1.4
141.05603	11.5
151.11285	3.8
166.06354	11.5
167.07185	6.7
177.09253	4.3
179.07117	7.5
180.07999	1.2
181.05069	2.6
182.05867	1.4
194.05905	3.7
195.10268	32.0
196.07498	1.2
196.10536	1.2
221.08154	2.4
222.05405	4.5
223.02779	1.5
224.06947	2.1
239.05617	1.4
239.09286	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1291
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.26241	0.6
59.01368	0.9
70.60801	1.2
75.95190	0.4
76.99251	0.5
79.70925	0.4
87.57269	0.5
95.05035	1.6
96.80701	0.5
99.08136	0.5
101.06093	8.2
103.14547	0.5
109.06604	4.9
109.80338	0.4
111.08163	5.6
114.72141	0.4
121.42281	0.4
122.03761	0.8
123.20217	0.4
125.09733	1.2
135.11777	0.6
138.06796	0.5
139.04024	14.9
139.07658	0.7
154.06372	33.2
155.06758	0.6
167.14435	11.1
179.10793	6.2
182.05843	3.8
185.15569	0.5
195.13918	100.0
196.14241	4.1
228.16556	0.5
239.06918	0.8
239.12903	6.6
239.16580	1.9
258.25919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.129
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.03726	0.5
57.03450	34.1
57.75113	0.7
59.01380	18.6
70.69426	1.3
78.95894	1.1
83.05019	2.8
85.02957	7.2
87.00847	0.8
95.05022	1.7
97.02932	1.5
97.06593	1.2
98.22256	0.6
99.04512	0.8
101.27456	0.5
107.05040	2.2
107.08668	1.1
109.06585	2.0
111.04519	0.9
117.38248	0.6
121.06610	16.4
121.07446	1.4
122.03768	2.2
123.04539	2.4
123.08175	2.0
124.05312	7.3
125.06098	1.3
133.06604	7.4
134.07353	1.8
135.04512	1.0
135.08160	1.0
137.06097	2.6
139.07663	36.5
140.08008	1.3
141.05568	1.7
147.08189	2.0
149.09727	38.8
150.10057	0.9
151.07643	2.7
157.06564	0.9
161.09720	2.0
163.07672	12.7
173.09718	4.7
175.07658	7.6
176.08455	0.8
179.05591	1.7
179.10785	31.7
189.09254	1.0
191.10785	25.4
203.10921	1.0
209.11943	0.8
221.11833	43.0
222.12231	1.7
223.02882	1.5
239.12895	100.0
240.13278	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.129
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.01875	3.1
56.28726	0.7
57.03189	0.9
57.03455	14.3
59.01369	1.8
65.00295	0.8
67.01884	1.1
67.44672	0.8
69.03452	1.1
71.01392	1.0
71.05020	1.7
80.02678	1.1
81.03466	4.9
83.01409	4.4
83.05038	22.3
84.02186	5.7
85.02960	93.1
97.02956	3.7
98.22181	4.3
109.06577	3.8
110.03728	2.0
125.09769	0.8
133.06612	0.9
142.02719	2.9
149.09692	1.0
149.30008	0.9
155.10808	5.2
156.29060	0.8
162.36987	0.7
171.10246	4.2
175.11288	1.0
177.12886	5.2
193.12360	5.3
195.13937	6.6
211.13326	1.3
221.11832	46.5
222.12204	2.4
223.02814	1.8
231.20859	0.8
234.93356	0.8
239.12900	100.0
239.16403	8.8
240.13177	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.1
56.28726	0.7
57.03189	0.9
57.03455	14.3
59.01369	1.8
65.00295	0.8
67.01884	1.1
67.44672	0.8
69.03452	1.1
71.01392	1.0
71.05020	1.7
80.02678	1.1
81.03466	4.9
83.01409	4.4
83.05038	22.3
84.02186	5.7
85.02960	93.1
97.02956	3.7
98.22181	4.3
109.06577	3.8
110.03728	2.0
125.09769	0.8
133.06612	0.9
142.02719	2.9
149.09692	1.0
149.30008	0.9
155.10808	5.2
156.29060	0.8
162.36987	0.7
171.10246	4.2
175.11288	1.0
177.12886	5.2
193.12360	5.3
195.13937	6.6
211.13326	1.3
221.11832	46.5
222.12204	2.4
223.02814	1.8
231.20859	0.8
234.93356	0.8
239.12900	100.0
239.16403	8.8
240.13177	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1655
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
56.20800	0.2
57.96156	0.2
59.01395	0.3
69.15283	2.1
98.21896	0.7
98.22560	0.5
103.20110	0.2
134.13162	0.3
149.13364	2.7
153.35901	0.2
165.12842	0.7
191.14432	1.1
193.15961	0.5
203.14294	0.4
207.10262	0.5
209.15475	6.4
210.15862	0.3
221.15515	2.8
239.16534	100.0
240.16895	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1655
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
50.39852	0.7
56.11374	0.7
57.03458	0.7
59.01374	2.3
63.24843	0.6
67.63177	0.7
71.01379	1.9
71.31192	1.3
91.02212	1.1
100.57826	0.7
135.03145	0.8
136.04021	3.5
149.13362	8.9
191.14423	3.0
195.13997	1.6
209.15475	23.9
210.15617	0.8
221.12032	1.4
221.15488	12.4
222.15718	0.9
223.02878	4.8
235.16966	0.7
239.16541	100.0
240.10275	0.8
240.16931	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1655
Annotation	Chokol F
Peak:m/z	Relative Intensity
65.04572	0.3
67.78663	0.3
70.97518	0.3
74.96115	0.3
78.98309	0.3
96.96014	0.7
101.07668	0.3
114.87255	0.3
116.16320	0.3
123.33304	0.3
223.02704	0.4
239.16537	100.0
240.16835	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2017
Annotation	10Z-pentadecenoic acid
Peak:m/z	Relative Intensity
59.01368	6.8
65.10882	1.3
69.37218	4.2
69.37631	4.5
71.01411	1.6
81.45867	1.5
87.04343	1.6
93.62630	1.4
95.01383	2.1
123.00887	2.1
159.03786	1.5
177.05611	2.2
179.03470	4.3
195.13901	5.2
207.04129	4.7
221.19226	1.8
223.02814	4.2
229.20970	1.7
237.53929	1.5
239.06824	17.8
239.20181	100.0
240.20569	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	12.0
59.01380	12.8
62.28087	10.3
71.01380	22.0
71.28821	15.3
72.99313	19.4
78.95919	100.0
80.96530	21.7
82.02989	40.5
83.01418	19.4
83.05045	13.1
85.02943	11.9
86.93506	10.9
87.00887	17.1
93.03458	55.0
96.00921	29.2
96.96026	21.8
96.96978	13.4
98.02475	14.3
99.00880	31.0
100.04040	12.3
109.02957	39.2
111.00888	34.0
111.04533	21.2
111.05724	11.9
112.07706	25.9
112.98833	72.5
113.98233	12.0
115.00397	14.9
129.01950	21.3
130.96591	15.5
137.02446	49.9
142.99878	63.1
149.00960	28.8
151.02548	40.3
173.00966	61.6
173.04524	37.2
177.00319	11.4
178.99796	11.9
196.06154	12.6
198.07855	13.4
205.03575	35.8
213.05168	14.8
240.56569	14.8
240.88138	26.1
241.01683	38.5
242.06734	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	9.3
59.01369	9.6
61.94635	8.7
62.92733	7.7
65.95033	9.5
67.01888	8.7
69.05682	42.4
69.06106	48.9
71.01378	28.7
72.99284	12.9
73.02956	11.8
78.95913	33.5
81.03540	9.2
82.02988	17.3
83.01383	9.0
85.02960	14.1
87.00917	14.5
93.03454	52.1
93.98318	8.5
98.22175	40.2
99.00900	34.5
109.02977	11.2
111.00897	22.5
111.04545	14.1
112.79965	8.2
112.98822	100.0
115.00387	11.8
123.01048	11.1
129.01959	15.4
130.96707	8.1
137.02440	22.0
142.98917	12.1
142.99826	58.9
145.01421	16.0
149.00948	16.1
151.02541	18.1
154.24104	9.8
155.40721	8.2
159.36876	8.5
173.00938	77.8
173.04559	48.2
191.76968	8.8
193.33589	8.6
198.07684	10.3
205.03581	30.8
211.07724	10.0
241.02025	13.3
245.87340	8.5
258.77158	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.072
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
59.01386	12.2
60.39396	1.5
67.01904	8.2
81.03448	2.8
95.01393	6.7
107.01377	9.0
108.02191	24.6
109.02995	3.3
110.00169	2.2
110.98508	1.8
111.00897	8.0
118.68890	1.8
119.05032	2.2
123.00918	16.7
123.04543	58.2
125.02472	4.5
126.05640	6.9
134.03725	4.4
135.00905	8.4
136.01572	1.9
137.02432	4.9
138.03246	5.4
139.00401	7.8
139.04042	5.4
150.03276	2.7
151.00365	4.2
153.01927	24.9
153.05586	4.0
163.00388	77.0
166.02769	4.3
167.03470	10.0
167.07130	3.9
171.04581	2.4
178.02730	91.0
179.03241	3.2
180.99954	3.3
181.01451	45.4
182.05791	3.1
183.06628	25.7
184.07004	1.9
193.05081	62.9
194.05412	3.4
196.03772	6.4
197.06120	3.5
199.04153	3.1
211.02693	4.6
211.06128	100.0
212.06502	3.3
213.05653	4.6
217.85321	1.9
221.84941	2.0
226.04811	17.2
241.05043	18.9
241.07199	69.3
241.10866	7.5
241.21750	7.9
242.07504	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1083
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
57.03447	4.6
59.01382	100.0
62.52529	1.0
67.05512	2.0
69.12904	2.2
69.13335	5.0
71.05038	0.9
73.02950	1.0
83.05083	1.9
87.00898	1.5
97.06613	1.2
99.04521	2.0
111.57852	0.8
119.08662	3.7
135.08163	1.8
135.11838	0.9
137.09749	7.3
141.03568	0.9
153.12857	0.8
161.09761	1.0
163.07687	1.4
169.12350	12.4
179.10823	5.2
181.08711	16.2
183.04602	1.0
195.10248	1.9
197.11842	37.9
198.12202	1.5
207.76076	1.0
211.16344	0.8
223.09848	1.6
241.01421	4.2
241.05316	1.1
241.08557	1.7
241.10814	15.9
241.14430	1.7
242.02124	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1083
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
54.36553	0.5
54.41245	0.5
55.01886	0.7
57.03444	1.1
58.70084	0.5
59.01383	0.6
64.73804	0.5
69.03445	3.1
71.01398	0.6
71.05024	4.5
71.31522	0.6
81.03472	0.6
81.25327	0.5
83.05027	1.5
102.38522	0.5
110.89987	0.5
114.17303	0.5
118.95538	0.5
123.08164	1.4
123.16116	0.6
125.09718	2.2
132.63246	0.6
137.09752	0.6
151.11284	1.2
153.12859	3.8
157.36154	0.6
161.09724	1.7
179.10774	5.8
183.69328	0.5
197.11836	100.0
198.12189	3.5
215.30228	0.5
221.44125	0.5
223.09705	2.6
241.05383	1.3
241.10815	62.2
242.11150	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1085
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
52.21577	0.6
54.36552	0.7
55.37487	0.6
57.03456	1.2
59.01385	0.6
69.03464	2.7
69.18026	2.0
69.18447	3.8
71.05021	5.1
81.03474	2.9
83.05035	12.6
91.35204	0.7
91.88455	0.9
98.22544	1.3
101.22909	0.7
125.09770	1.5
137.09840	0.7
144.57899	0.6
151.11255	1.3
153.12860	1.9
161.09720	1.1
175.21379	0.6
179.10782	5.6
195.15068	2.8
197.11842	100.0
198.12123	3.9
213.16127	2.2
223.09761	2.9
229.20685	0.7
241.10829	67.3
242.11217	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0625
Annotation	Uridine
Peak:m/z	Relative Intensity
52.09996	1.4
57.61036	1.3
57.67557	1.5
66.03491	15.1
69.82906	3.2
69.83322	3.7
71.01359	3.1
73.02927	1.5
82.02992	28.6
83.03334	1.5
84.04541	1.6
87.00881	2.6
87.13584	1.5
94.02989	3.2
96.04572	1.6
101.02454	3.3
108.04584	1.4
110.02490	100.0
111.02020	5.0
111.02811	1.9
112.98786	2.3
120.54095	1.3
122.02480	10.2
124.04032	4.1
140.03554	11.0
141.00430	2.4
142.99802	2.1
152.03540	16.1
153.03032	7.7
157.03563	3.2
172.55231	1.3
173.00932	1.4
179.82321	1.5
183.01460	5.4
185.64220	1.4
200.05655	33.5
243.06238	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0663
Annotation	Gnetol
Peak:m/z	Relative Intensity
51.84315	0.4
54.86507	0.4
59.01393	2.4
69.35178	0.9
69.35593	1.9
83.01389	2.5
93.03448	1.1
96.96027	1.1
98.22505	0.7
108.02168	0.6
109.02970	2.5
109.06543	0.4
115.05515	2.0
119.05032	11.9
120.05364	0.6
121.02987	2.2
130.04250	0.7
131.05037	1.4
135.04549	2.5
137.09688	0.6
143.05051	1.8
145.02965	1.1
145.06615	3.1
147.04536	1.8
154.04294	0.6
155.04994	1.6
156.05791	1.0
157.02985	1.3
157.06607	5.8
158.03732	5.1
159.04535	14.6
160.01694	1.1
160.05147	0.6
161.02484	2.6
162.03246	1.0
163.04021	9.0
164.07114	0.7
169.06558	1.0
171.04562	3.6
171.08171	0.8
172.05315	9.4
173.02502	0.8
173.06087	14.8
173.76895	0.5
174.03180	1.0
175.04021	5.8
175.07629	0.6
181.06613	2.8
182.03725	5.9
183.04512	8.1
184.05272	3.4
185.02417	4.4
186.03256	5.1
186.06883	1.0
187.03990	1.1
187.07646	1.9
188.04637	0.7
195.04590	0.5
196.05331	1.0
197.06102	4.7
198.03224	1.5
199.04025	15.5
199.07675	4.1
199.18227	0.7
200.04799	15.3
201.05580	50.2
202.02888	0.8
202.05919	1.9
210.03265	0.7
211.04019	0.7
213.05568	1.4
214.06294	1.4
215.03534	1.3
215.07126	9.9
224.04784	1.2
225.05580	10.9
226.06128	1.1
227.03523	1.4
228.04308	3.3
241.04999	1.0
242.05855	1.3
242.99814	1.6
243.02931	13.4
243.06621	100.0
243.17140	1.6
244.03268	0.6
244.06943	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1239
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
52.49888	1.0
59.01366	2.0
71.05013	5.1
71.31730	1.8
73.02903	1.5
73.76214	0.9
81.03430	2.3
95.05073	1.2
97.02939	4.8
97.06587	2.3
99.00884	22.2
109.02997	1.4
109.06568	1.3
110.03719	2.1
125.09735	8.1
127.11356	1.3
136.05367	1.2
140.14211	1.0
142.02721	2.7
155.14423	2.2
157.06645	1.2
157.73247	1.0
159.04477	1.9
163.11302	8.0
181.12354	31.7
182.12584	1.2
197.11769	1.6
199.07669	1.2
199.13394	21.5
201.05757	1.3
207.10272	48.3
208.10519	1.8
225.11327	100.0
226.11700	4.6
237.56242	1.1
243.02924	3.4
243.06871	7.7
243.12363	83.3
244.12746	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1239
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
51.90577	1.1
57.03450	3.8
59.01384	66.9
60.99288	1.1
69.15237	2.8
69.15647	6.8
73.02943	4.2
98.22501	2.8
99.00879	1.4
116.52615	1.0
124.24342	1.0
125.09773	1.5
137.09769	1.5
139.11305	44.3
140.11662	1.3
155.42570	1.1
163.11371	1.3
165.09189	1.3
181.12355	25.3
182.12651	2.3
183.10272	60.9
184.10712	2.1
199.13409	22.8
207.10258	4.5
214.06407	1.3
225.11340	22.8
243.02968	5.2
243.12383	100.0
244.12785	4.0
248.85345	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1239
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
52.33301	0.8
57.03432	1.0
59.01374	1.4
71.05013	3.3
71.31500	1.0
83.05013	1.1
88.90334	0.8
97.02975	3.0
97.06577	1.7
99.00890	15.8
109.06637	1.1
110.03765	1.2
125.09711	6.1
125.86802	0.8
131.03549	0.8
135.08189	0.9
142.02664	1.2
155.14439	1.7
163.11273	6.4
181.12363	18.4
199.13402	22.1
207.10280	36.1
225.11331	68.7
226.11685	3.2
243.02997	1.8
243.12381	100.0
244.12675	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.0
59.01383	59.6
67.42730	1.2
69.03455	1.7
71.05016	1.6
71.31747	1.5
72.99307	12.3
73.02956	2.5
85.06596	2.1
87.04035	1.0
107.08672	4.3
121.10210	1.9
124.84823	1.1
125.09712	2.6
130.27043	1.2
137.09708	1.7
139.11304	7.0
155.10773	3.3
163.11201	1.5
171.04495	1.8
181.12381	2.6
183.10283	65.3
184.10542	1.6
186.06877	1.9
199.03938	3.0
201.11339	100.0
202.11659	3.1
214.06395	2.2
215.03473	1.4
225.11372	5.4
225.13550	1.1
242.01868	1.6
243.02977	18.5
243.06674	3.5
243.10260	4.8
243.12286	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1966
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
57.13191	1.3
57.99548	1.5
59.01400	1.9
71.29883	1.9
72.33720	1.3
85.00446	2.4
91.10567	1.4
92.92812	2.1
110.02419	1.9
113.39098	1.6
116.23363	1.3
116.92882	3.6
121.35929	1.4
134.89478	3.0
135.89349	1.6
136.89189	2.7
155.86406	1.3
195.17567	4.5
197.19122	83.5
198.19464	4.5
225.18465	2.2
243.02609	1.7
243.19646	100.0
243.79030	3.9
244.20013	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.082
Annotation	Fraxinellonone
Peak:m/z	Relative Intensity
57.03456	1.8
59.01385	0.4
64.51411	0.2
69.06882	0.9
69.07301	0.9
75.27793	0.2
80.02695	0.6
81.03462	4.7
83.05043	0.3
93.03440	1.2
95.05035	4.0
95.97656	0.3
97.02966	1.2
108.02174	0.6
109.02965	7.9
115.05522	0.2
117.03529	0.3
117.07141	0.2
119.05009	0.6
121.02971	3.4
121.03806	0.4
122.03748	0.8
123.04546	4.8
125.02410	0.2
131.05038	1.3
133.02943	0.7
133.06586	0.6
135.04555	1.2
137.02382	0.3
139.04022	1.4
143.05025	1.2
144.05782	0.3
145.02953	1.1
145.06628	0.3
146.03748	3.2
147.04533	3.1
147.08049	0.3
149.02455	1.5
150.03244	0.7
151.04062	0.3
157.06638	2.0
158.03719	1.4
159.04529	12.2
159.08151	0.3
160.05315	3.2
161.02467	1.4
161.06096	12.9
162.03261	2.6
162.06502	0.3
163.04012	0.6
171.04536	0.5
171.08110	0.4
172.05334	0.6
173.02460	1.1
173.06090	4.4
174.03233	3.0
174.06854	1.1
175.04016	7.9
175.07649	7.8
175.09210	0.3
176.04425	0.2
176.07938	0.2
177.05629	0.3
181.06648	0.4
183.04575	1.1
183.08208	0.3
184.05331	0.9
185.06081	2.6
186.06848	0.5
187.04018	15.8
188.04797	13.7
189.05432	0.8
199.07668	3.0
201.01976	1.4
201.05569	2.9
201.09184	0.4
202.06363	5.7
203.03491	1.9
203.07150	35.8
204.07468	1.5
209.06091	0.3
211.04083	0.5
212.04791	3.2
213.05251	0.3
215.03471	0.4
215.07018	0.3
216.04242	0.4
217.05135	1.9
217.08603	1.6
218.05679	0.3
226.06335	0.3
227.03516	0.5
227.07158	6.9
228.07640	0.2
229.05118	0.4
230.05826	2.3
245.04713	4.6
245.08194	100.0
246.04770	0.3
246.08542	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0819
Annotation	Torachrysone
Peak:m/z	Relative Intensity
57.03450	1.9
59.01368	0.5
65.00304	0.2
67.01871	0.4
68.99814	0.3
70.59840	0.5
80.02670	0.5
81.03465	5.4
83.01396	0.3
83.05048	0.2
93.03444	1.2
95.01418	0.3
95.05035	3.6
97.02960	1.4
102.93114	0.2
108.02164	0.5
109.02956	8.6
115.05560	0.3
117.03480	0.3
117.07050	0.2
119.05026	0.5
120.16187	0.2
121.02172	0.3
121.02962	2.9
122.03723	0.7
123.04539	6.0
123.19410	0.2
124.01535	0.2
125.02447	0.2
131.05045	1.0
133.02969	0.6
133.06575	0.3
135.04558	1.4
137.02429	0.3
139.04025	1.5
143.05043	0.8
144.05836	0.3
145.02966	1.3
145.06528	0.3
146.03731	4.1
147.04543	2.5
149.02483	1.8
150.03227	0.8
151.03973	0.3
157.06564	1.7
158.03755	1.4
159.04521	11.7
159.08118	0.5
160.05318	3.8
161.02472	1.8
161.06088	13.0
162.03235	2.8
162.06326	0.4
163.03937	0.3
171.04492	0.3
171.08156	0.2
172.05325	0.4
173.02490	1.5
173.06088	4.1
174.03220	2.7
174.06779	1.0
175.04024	7.6
175.07649	9.2
176.04482	0.2
176.07939	0.3
181.06552	0.4
183.04494	1.1
183.08197	0.3
184.05301	1.0
185.06105	3.0
186.06856	0.5
187.04013	15.7
188.04794	14.5
189.05438	0.8
197.06172	0.2
199.03914	0.3
199.07663	2.8
201.02016	1.0
201.05577	3.6
201.09229	0.4
202.02557	0.2
202.06358	5.9
203.03505	1.8
203.07146	34.8
204.07346	0.9
209.06021	0.4
211.04018	0.6
212.04799	3.7
215.03464	0.2
217.05098	1.7
217.08606	1.8
227.03513	0.8
227.07153	7.3
228.07399	0.4
230.05881	1.9
245.04707	4.2
245.08195	100.0
246.04817	0.3
246.08560	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0933
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
58.02697	1.5
58.02980	25.9
67.47016	1.3
70.02983	17.9
70.69863	1.5
70.70217	2.4
71.98026	1.3
72.00906	6.0
72.04545	4.6
74.02480	100.0
95.31054	1.1
98.02483	28.8
116.03564	28.9
116.05070	34.7
124.62347	1.1
130.06612	5.0
135.28894	1.1
142.06633	10.3
159.09253	7.3
183.09346	2.4
186.05568	2.2
201.10284	8.9
201.11966	1.6
203.08281	90.3
204.08667	3.0
212.87775	1.4
237.05495	1.1
245.09312	68.0
246.09621	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	24.6
69.28857	5.3
69.29267	1.6
69.87373	1.1
70.02982	16.0
71.68864	0.9
72.00906	5.7
72.04540	3.7
74.02479	100.0
81.21911	0.9
84.47435	0.9
85.41410	0.8
98.02486	23.8
114.82858	1.0
116.02732	1.3
116.03552	23.4
116.05064	31.6
117.05458	1.1
118.86212	1.1
125.29121	1.0
130.06650	3.8
142.06645	8.9
159.09311	5.7
183.09276	2.4
183.75310	1.0
186.05556	1.9
200.93262	1.0
201.10332	9.3
203.08273	79.8
204.08565	3.0
245.09328	64.1
246.09677	3.3
250.69238	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1184
Annotation	Ryomenin
Peak:m/z	Relative Intensity
55.37550	0.7
59.96178	0.4
70.90926	0.6
77.86402	0.3
86.33224	0.4
107.07555	0.4
108.02225	0.3
123.08212	1.9
130.48669	0.4
145.06570	1.0
146.70551	0.4
201.12857	100.0
202.13185	3.8
245.11833	82.2
246.12161	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	41.5
63.93027	0.8
71.30673	0.7
71.31054	0.8
72.97495	0.7
79.73232	0.5
93.95365	0.5
99.08218	0.5
127.11292	4.9
132.04266	0.6
139.11290	2.0
155.10767	2.6
156.26022	0.7
157.12344	21.9
185.11835	14.7
187.21094	0.5
203.12886	100.0
204.13174	3.8
245.04559	1.2
245.13927	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1547
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
54.65907	1.5
59.99803	1.5
61.55204	1.8
69.11163	11.8
69.11575	3.3
69.28125	2.1
77.82570	1.6
93.07116	14.8
116.92863	3.4
118.91869	3.5
120.87951	2.0
121.94984	1.5
136.05322	11.2
147.11771	2.1
153.81050	1.6
201.16469	1.9
245.15477	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.9773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64001	20.0
53.92546	18.8
59.01390	38.4
61.98824	100.0
66.45502	21.1
70.66438	32.9
70.66772	36.5
79.34087	20.3
90.99352	20.7
92.58377	20.9
97.22123	22.1
103.92014	45.9
136.94014	40.6
178.95018	26.9
244.53419	23.1
247.17110	69.6
257.54980	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1339
Annotation	3-Hydroxy-14-calamenoic acid
Peak:m/z	Relative Intensity
51.76401	0.7
59.01373	0.7
64.79899	0.7
69.06791	2.3
69.07200	3.3
73.02947	4.4
78.96550	0.7
85.02943	3.9
96.96027	0.9
98.22634	1.4
99.04496	1.2
104.69737	0.6
106.04254	10.6
107.05053	1.2
109.06642	0.7
111.04568	3.9
121.02946	0.9
122.03710	0.9
123.12252	0.8
133.06606	16.3
133.64838	0.7
133.65950	0.8
135.08174	57.9
136.08514	2.1
137.79198	0.7
138.03238	2.7
146.07402	2.7
147.08192	2.5
149.06096	1.3
151.03955	1.2
159.04520	0.8
161.09718	1.7
173.09737	2.6
176.61427	0.8
178.06340	1.9
186.06841	1.2
187.11252	1.7
192.07993	0.7
201.12820	1.0
203.14418	100.0
204.14697	3.6
206.14653	0.8
229.12338	7.1
232.03821	0.9
247.13397	71.2
248.13742	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1341
Annotation	Parthenolide
Peak:m/z	Relative Intensity
55.08304	0.5
68.66638	0.5
69.59689	1.7
69.60102	1.2
83.05048	0.9
91.51495	0.4
97.02963	0.7
97.06585	0.5
98.22506	0.9
106.78516	0.4
109.43150	0.5
124.63573	0.6
131.08685	3.3
133.10233	0.9
149.09731	1.1
156.98651	0.5
183.11732	0.6
185.13405	3.7
201.12822	1.6
203.14426	2.3
229.12354	1.8
237.83913	0.5
238.49347	0.5
245.11670	1.0
247.13394	100.0
248.13754	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08304	0.5
68.66638	0.5
69.59689	1.7
69.60102	1.2
83.05048	0.9
91.51495	0.4
97.02963	0.7
97.06585	0.5
98.22506	0.9
106.78516	0.4
109.43150	0.5
124.63573	0.6
131.08685	3.3
133.10233	0.9
149.09731	1.1
156.98651	0.5
183.11732	0.6
185.13405	3.7
201.12822	1.6
203.14426	2.3
229.12354	1.8
237.83913	0.5
238.49347	0.5
245.11670	1.0
247.13394	100.0
248.13754	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1341
Annotation	Quadrone
Peak:m/z	Relative Intensity
57.03445	1.4
69.21348	0.8
69.21743	1.7
83.05025	0.5
97.02959	37.5
97.06613	0.7
98.03303	0.5
121.06583	0.5
132.05852	0.7
137.09709	1.0
145.10213	0.6
147.08174	5.9
149.09724	5.0
150.81917	0.3
157.06586	1.6
161.09775	1.0
161.13373	1.6
173.09738	5.1
175.11331	0.6
179.73761	0.5
185.09859	0.4
187.11287	6.8
188.11790	0.6
201.12770	0.7
203.14418	35.5
204.14816	1.3
207.27768	0.4
247.13403	100.0
248.13721	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43628	0.4
60.99316	2.4
71.31537	0.6
71.31892	0.4
73.02944	3.0
73.06190	0.4
83.05090	0.4
97.02933	0.7
98.22244	0.5
100.04954	0.4
102.97639	0.4
121.02879	0.5
132.02672	0.4
135.03038	0.4
143.72588	0.5
147.08163	0.8
149.09743	0.6
158.73152	0.4
159.48697	0.4
168.61530	0.5
171.05754	0.4
179.10849	0.5
185.13394	0.6
191.10904	0.4
201.12856	1.1
203.14430	27.1
204.14740	1.0
209.48323	0.4
219.10036	1.4
221.15526	4.1
232.14542	0.5
244.51878	0.4
247.09827	3.6
247.13412	100.0
248.13765	4.9
265.14545	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1342
Annotation	Quadrone
Peak:m/z	Relative Intensity
52.25097	0.7
57.03444	1.6
59.01381	1.6
59.23079	0.7
85.06597	25.3
92.31480	0.7
97.02975	1.2
97.06561	0.9
105.70092	0.7
121.03001	1.1
121.06619	3.9
123.08139	1.4
124.58261	0.7
129.83131	0.8
133.10223	0.9
135.08179	0.8
137.09735	30.5
147.08180	8.2
149.09721	1.3
151.11284	4.2
161.13411	1.3
165.09224	0.9
169.10236	1.1
171.11729	1.0
185.13342	1.7
187.11279	5.7
201.12776	1.6
201.44189	0.7
203.14427	27.2
204.14870	0.8
247.13399	100.0
248.13684	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	25.3
59.01345	0.7
79.05511	0.6
97.06592	3.0
104.65738	0.6
105.07107	0.8
106.37396	0.6
109.06607	1.3
119.08681	0.7
121.02954	1.7
123.04533	0.7
123.08160	5.4
135.08136	0.9
147.08180	2.5
165.69040	0.5
167.34793	0.7
173.13351	1.9
183.11766	1.3
185.13364	7.5
186.13802	0.6
187.11259	1.1
189.09146	1.0
192.33147	0.7
194.59993	0.7
199.52161	0.5
201.12875	3.5
203.14481	8.5
228.79709	0.6
244.71553	0.6
245.11766	1.7
247.13402	100.0
248.13756	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.134
Annotation	3-Hydroxy-14-calamenoic acid
Peak:m/z	Relative Intensity
57.24585	0.1
71.12263	0.1
71.30288	0.1
113.37217	0.1
119.04903	0.3
121.06487	0.3
122.30419	0.1
133.06535	0.1
137.02396	0.1
146.07333	0.1
162.83911	0.1
173.09683	0.2
173.67171	0.1
179.07156	0.2
194.96167	0.1
203.14420	11.2
204.14809	0.5
205.15993	0.3
207.13776	0.1
220.17018	0.7
231.13890	0.6
232.14702	0.1
247.13455	11.5
247.17041	100.0
248.13814	0.6
248.17380	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1704
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
69.00516	1.6
87.92916	0.2
104.04498	0.1
117.83728	0.1
121.06597	0.3
152.87924	0.1
193.97931	0.1
203.14423	8.9
204.14894	0.4
205.16022	0.3
220.17072	1.3
231.13916	0.7
247.13452	9.7
247.17046	100.0
248.13712	0.3
248.17410	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
61.30578	1.4
61.89909	1.6
64.89164	1.2
71.08516	1.4
83.60770	1.3
91.05534	4.5
93.07103	17.5
136.05313	9.1
202.35539	1.6
203.18039	6.3
247.17039	100.0
248.17401	4.7
260.88458	1.3
260.91223	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0803
Annotation	3-(5'-Methylthio)pentylmalic acid
Peak:m/z	Relative Intensity
52.00821	0.2
52.15823	0.2
59.71112	0.2
67.00919	0.2
71.01385	0.4
79.79716	0.2
79.95701	1.3
85.44622	0.2
88.04046	3.3
95.95296	0.3
96.96015	35.8
103.52856	0.2
104.65524	0.3
115.00369	0.4
131.74608	0.2
132.03038	4.4
135.04546	0.2
142.24684	0.2
162.03229	0.7
166.29912	0.2
167.03448	0.6
177.05504	0.3
190.02736	0.2
205.01488	0.3
218.11946	0.2
237.76424	0.2
249.08015	100.0
250.08482	3.0
250.14473	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1497
Annotation	Gemfibrozil
Peak:m/z	Relative Intensity
51.41153	0.3
55.97857	0.4
59.64193	0.4
61.98798	0.4
69.03455	5.9
69.08305	3.5
72.82905	0.3
113.02462	1.1
114.96654	0.4
145.60001	0.4
150.67393	0.4
151.11266	0.4
180.89333	0.4
187.14851	0.4
203.14456	0.8
205.15872	1.6
216.11339	0.4
231.13849	0.8
249.14961	100.0
250.14914	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1498
Annotation	Lychnopholic acid
Peak:m/z	Relative Intensity
54.94523	0.8
57.03450	1.1
66.52035	0.8
70.94991	1.4
73.97209	1.0
83.05048	1.3
85.06622	1.0
142.83339	0.9
167.82002	0.9
172.74641	0.9
177.12881	1.7
185.13361	10.7
187.14958	12.5
189.12816	1.3
199.30943	1.0
201.12906	1.3
203.14366	3.1
203.44638	0.8
205.15979	4.2
219.13960	1.9
231.13823	1.4
247.13380	8.9
249.14963	100.0
250.14821	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1499
Annotation	Gemfibrozil
Peak:m/z	Relative Intensity
57.03442	0.7
70.34980	1.0
83.05036	3.1
85.98655	0.3
98.21886	0.5
102.30783	0.3
121.87451	0.4
123.08184	0.5
149.09721	0.4
201.12813	0.6
203.14455	1.9
228.46515	0.3
231.13673	0.4
249.14972	100.0
250.15326	5.8
257.93161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1499
Annotation	(1R*,3Z,7E,11R*)-(-)-7,10,10-Trimethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-3-carboxylic acid
Peak:m/z	Relative Intensity
55.01884	3.8
56.36541	3.0
69.03461	76.2
71.01379	8.1
71.32375	5.5
80.05336	2.6
96.58279	2.7
99.00883	8.6
119.08696	6.9
123.08139	17.0
135.11761	4.4
137.09702	19.2
167.51724	3.1
187.15001	3.8
198.94333	3.3
205.15964	49.6
221.15445	3.7
234.11320	4.0
249.14984	33.4
250.14491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
57.03448	5.1
59.01383	2.9
69.00597	0.3
71.01383	3.7
71.29602	0.4
72.99327	0.4
73.02951	16.1
83.01393	4.2
85.02959	2.0
89.02446	0.9
92.05071	4.7
99.00871	0.6
101.02448	100.0
102.02805	1.2
113.02473	1.6
119.03561	0.5
120.04570	5.1
122.06151	2.2
130.65671	0.4
148.07713	0.6
160.07646	0.8
161.04626	1.9
182.04848	0.4
204.06647	1.2
206.08208	3.7
207.96758	0.4
218.11874	0.9
231.76888	0.3
234.11411	0.8
250.07240	19.7
250.14473	22.8
251.07603	0.7
251.11406	1.0
251.14772	0.8
267.11243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57209	1.6
54.81046	1.8
55.01887	8.0
57.03441	6.3
58.00593	3.7
58.99605	3.8
59.01097	3.2
59.01383	53.5
61.98818	2.9
67.93192	1.5
71.01386	100.0
71.27721	2.8
72.99302	5.0
73.02956	38.8
75.00864	3.6
78.95914	2.1
79.34020	1.6
83.01387	18.9
85.02955	43.0
87.00880	4.1
87.04527	2.3
89.02454	17.7
89.06062	2.0
95.01398	8.4
97.02964	1.7
99.00900	10.8
101.02452	87.8
102.02795	6.9
111.00893	3.2
112.33757	1.6
113.02466	44.8
119.03513	4.7
125.02406	1.7
129.01913	1.5
143.03484	3.7
159.02986	7.1
161.04593	35.8
163.04170	3.3
180.06744	1.5
189.05583	5.1
190.33557	1.7
199.79321	1.8
205.03455	1.9
207.08006	2.0
221.09605	2.1
235.11583	2.0
240.57744	1.8
251.00301	3.9
251.07767	2.3
251.11359	18.0
251.14746	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.129
Annotation	Aspergillide C
Peak:m/z	Relative Intensity
58.00598	3.8
59.01366	1.0
69.44640	3.9
71.01357	1.4
72.99300	0.6
73.02950	33.0
85.02961	3.3
99.04527	2.6
121.10209	3.8
130.96529	0.6
139.07643	0.9
150.58824	0.7
161.09666	0.7
163.11298	0.8
171.11754	1.0
175.11299	0.6
177.12846	3.7
179.14377	0.7
189.12886	5.1
207.13887	8.0
233.11736	2.1
251.12885	100.0
251.16702	9.7
252.13252	4.8
252.15689	0.7
252.16791	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38918	0.3
57.03450	2.7
58.46872	0.3
59.01373	0.4
68.62513	0.4
69.03461	3.2
69.92996	1.6
71.05019	2.3
71.25483	0.4
85.02952	1.2
98.21890	0.5
98.22424	0.7
99.04525	5.1
110.07479	0.3
122.42936	0.5
135.11783	0.6
166.41556	0.4
166.65723	0.3
179.14326	0.8
191.14404	0.7
205.16008	0.5
207.13968	0.4
233.15459	0.6
251.16550	100.0
252.16881	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	27.1
59.98528	2.1
64.82193	1.5
70.35677	5.1
72.67410	1.3
78.05204	1.4
78.58156	1.2
83.05009	3.8
90.40148	1.3
99.04526	100.0
143.71440	1.4
189.16473	7.2
191.14450	4.5
193.12346	34.6
207.17549	2.4
229.83708	1.3
233.15508	7.6
251.16573	83.8
252.16867	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1654
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
56.96243	0.5
57.03225	0.6
57.03453	6.8
69.03452	9.3
71.05015	3.1
81.75793	0.6
83.05046	0.9
85.06592	1.8
93.06102	0.7
99.04528	13.7
115.55924	0.6
117.17799	0.6
118.68742	0.6
146.96603	0.6
181.12331	1.4
191.14523	0.9
251.16537	100.0
252.16940	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1656
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
59.01403	0.6
60.29745	0.4
67.01876	1.2
69.03462	44.3
86.99545	0.5
113.02463	6.9
131.91734	0.5
137.09770	0.7
205.16017	3.1
207.17578	1.5
223.47005	0.5
233.15381	3.2
251.16574	100.0
252.16910	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1655
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
60.99295	0.8
62.73407	0.6
69.03063	2.4
69.03481	5.0
89.58121	0.7
203.14417	1.2
205.15968	13.7
207.13956	1.0
207.17557	4.4
235.11598	0.8
244.82376	0.7
250.10568	0.7
251.16609	100.0
252.16928	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24581	1.0
65.50662	1.0
66.20644	0.9
67.26489	1.2
69.04179	9.1
109.82024	1.2
121.27075	1.0
126.64412	1.0
203.14441	1.9
205.16010	9.1
207.13882	3.2
207.17537	3.8
219.39841	1.2
251.16701	100.0
252.16890	4.8
261.73688	1.3
270.98685	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27275	0.4
53.29417	0.4
61.98814	0.5
62.43552	0.4
64.08187	0.4
66.36365	0.4
71.28583	0.6
71.28960	0.5
79.95744	100.0
80.96498	0.6
82.82585	0.5
85.89105	0.4
102.36520	0.4
126.12955	0.5
137.66876	0.4
145.90633	0.5
188.11183	7.1
189.11534	0.7
252.07350	31.4
252.17043	2.2
253.07503	0.9
253.14500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1084
Annotation	Isoplysin A
Peak:m/z	Relative Intensity
54.18060	0.5
57.03452	8.9
59.01388	2.8
60.99300	0.9
69.03471	2.6
69.55724	1.7
69.56118	1.4
71.01389	0.9
71.05019	1.7
79.05562	0.6
81.03465	2.8
83.05029	4.5
85.02959	5.6
85.06586	0.7
87.31849	0.5
93.03467	1.4
95.01400	0.8
95.05034	4.9
97.02972	1.6
97.06596	8.7
99.04535	1.1
100.28461	0.5
107.05045	2.1
109.02952	1.2
109.06613	6.0
111.04522	1.6
111.08168	0.6
113.02452	7.1
121.06608	16.7
122.03751	3.1
123.04510	1.2
124.05312	8.8
125.06078	2.4
129.05652	0.5
132.22276	0.5
133.06609	7.5
135.04524	2.3
136.05342	1.0
137.06079	5.1
138.06866	2.5
139.07660	23.9
149.09723	7.9
151.07690	3.4
153.05545	1.2
173.09735	2.0
175.07648	1.2
176.08293	0.8
189.09210	0.8
191.10799	19.6
209.11838	0.8
235.09811	3.0
253.10834	100.0
254.11143	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48846	0.3
54.72420	0.4
55.01896	0.4
57.03459	2.7
59.01387	1.5
69.03457	7.3
71.01385	1.9
71.05021	0.4
71.31393	0.4
77.00349	0.3
79.82780	0.3
80.02682	0.4
81.03463	0.5
83.05030	0.5
89.02433	0.6
90.15343	0.3
95.05029	2.2
97.06586	0.4
101.02442	0.6
107.05045	1.7
109.06602	15.1
116.87971	0.3
120.05837	0.5
121.06622	0.7
121.10253	0.3
123.08183	1.8
130.75288	0.3
134.07352	0.4
161.09749	1.3
163.11298	9.8
175.11310	5.1
189.12860	2.7
191.14435	61.8
192.14774	2.7
192.49625	0.3
193.12314	3.3
205.12308	0.4
209.15489	12.0
209.17491	0.6
217.12297	1.0
235.13411	23.6
236.13730	0.9
253.14468	100.0
254.14818	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87048	0.3
57.03453	2.2
59.01373	0.7
59.65826	0.4
66.01720	0.4
69.03460	7.4
69.09292	2.8
71.01391	1.6
77.48795	0.3
81.07110	0.3
95.05025	2.7
98.22529	0.8
107.05029	1.8
109.06602	15.3
110.06959	0.5
121.02921	0.4
121.06611	0.6
123.08157	1.5
128.88756	0.3
161.09717	1.2
163.11288	8.3
163.12566	0.7
175.11310	5.1
189.12846	3.5
191.14427	65.0
192.14742	2.7
193.12337	2.9
209.15466	13.0
210.15775	0.7
217.12341	0.6
235.13399	22.5
236.13786	1.1
253.14456	100.0
254.14870	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09655	8.2
59.01384	19.9
69.03287	78.0
71.01369	10.8
81.03442	37.0
83.05037	21.9
84.04366	6.6
89.02447	10.0
95.01520	7.2
99.04523	40.7
101.02538	8.9
103.64771	7.3
111.04555	11.6
113.02448	9.5
121.03001	10.8
171.10265	12.2
191.14401	21.4
193.12337	32.4
193.75127	8.7
204.76251	7.0
206.23653	9.2
209.15460	26.3
217.85130	13.2
235.13449	58.7
253.09219	13.3
253.14482	100.0
253.18221	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1448
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
59.01383	5.2
61.98846	1.8
69.36970	8.6
79.57256	1.9
83.05036	4.2
85.30400	1.5
89.02456	2.5
94.04251	12.2
95.05036	4.5
96.14670	1.5
98.00124	6.9
98.21749	1.9
112.05317	27.0
117.44785	1.5
117.70779	1.4
119.05043	2.1
121.02940	1.7
121.06621	2.4
123.08234	1.7
138.03258	3.9
139.91632	1.5
149.09741	4.0
150.93024	1.4
151.11322	3.5
156.04298	8.3
165.12723	2.0
170.88339	2.5
180.94154	2.0
181.05020	1.4
182.49803	1.6
191.14423	61.4
192.14784	2.2
194.13130	9.4
194.92815	1.9
195.10324	11.7
209.15486	100.0
210.15851	4.4
217.84979	3.2
220.06268	2.1
221.15436	2.9
235.13408	3.7
251.16585	2.4
253.14484	91.0
253.18098	20.8
254.06531	1.8
254.14886	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90232	1.1
57.03440	1.6
59.01385	100.0
63.01296	1.2
69.02746	7.3
69.03170	7.0
69.03460	1.5
71.01385	3.0
81.03450	2.2
82.30717	1.2
83.05035	7.6
89.02430	1.6
93.03439	3.6
101.02448	2.0
121.02956	1.6
123.08167	2.0
126.66563	1.2
137.02448	2.0
149.09663	3.5
181.08665	4.0
186.74062	1.5
191.14433	2.6
193.12396	6.6
224.18796	1.2
253.08839	1.8
253.14432	45.0
253.21529	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1811
Annotation	7,15-epoxycaryophyllane-3,5beta-diol
Peak:m/z	Relative Intensity
59.01382	100.0
69.02160	2.0
69.02557	10.1
71.44881	1.2
101.02435	1.6
110.02420	1.2
121.02907	3.2
170.88379	2.0
209.15372	1.3
217.84926	7.0
220.06328	1.2
253.09213	1.5
253.14476	4.9
253.18137	30.0
254.06938	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	67.9
59.01383	28.6
63.37654	5.4
68.01836	6.2
69.03455	25.8
69.25446	54.4
71.01344	7.2
71.05027	39.9
73.02959	7.0
83.05033	35.5
85.06590	45.1
87.00896	5.8
90.78802	6.3
93.03461	45.0
95.51954	6.4
97.06601	13.0
98.46124	6.6
99.04540	7.2
101.02453	6.5
109.02993	7.5
109.06602	21.0
111.04525	11.7
127.07676	100.0
137.02466	29.0
149.96571	5.8
155.03526	15.7
155.10811	13.9
165.12862	39.6
172.05083	7.0
183.13918	9.5
191.14488	10.5
253.08792	7.8
253.11067	9.5
253.14465	54.2
253.18280	37.8
254.06627	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1812
Annotation	Homalomenol C
Peak:m/z	Relative Intensity
53.81921	0.7
55.97528	0.6
57.03433	2.7
59.01374	2.5
71.01396	1.7
73.02979	0.7
94.85529	0.9
158.92935	0.7
165.12877	1.1
172.42853	0.8
177.12875	2.1
178.87721	0.8
186.86728	0.7
191.14391	1.0
193.15933	1.1
195.13925	19.5
196.14293	0.8
199.64211	0.9
209.15457	12.7
228.77229	1.1
253.14407	6.5
253.18103	100.0
254.06929	0.9
254.11505	1.3
254.18456	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1811
Annotation	7,15-epoxycaryophyllane-3,5beta-diol
Peak:m/z	Relative Intensity
57.03455	4.6
59.01373	1.7
59.47916	0.8
62.02213	1.0
68.35332	1.0
69.03454	1.8
69.03796	1.0
71.01382	1.3
75.44978	0.8
81.03465	2.1
83.01403	1.1
83.05040	1.8
89.02448	1.4
98.21739	2.3
99.04497	1.6
121.03024	0.9
141.09210	2.1
154.89287	0.9
163.14948	1.1
170.77435	1.0
191.14494	2.2
207.17656	1.1
209.15485	3.4
209.19101	2.6
217.15982	1.9
235.13361	2.9
253.14452	4.5
253.18108	100.0
254.18442	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46490	81.0
78.02555	87.2
114.09779	81.3
114.55950	77.2
118.43301	81.7
120.88069	83.3
136.98801	97.2
139.10509	86.4
197.51746	100.0
226.65294	87.0
259.68567	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.9999
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99872	2.7
59.01382	41.9
68.99560	8.7
69.25612	16.2
69.26033	5.8
71.01025	2.8
71.01381	16.9
72.99311	26.5
74.08369	2.3
74.99377	12.8
83.01384	11.0
85.01462	19.1
85.88393	2.8
86.99393	3.7
93.03463	13.0
96.99320	7.4
98.21933	8.6
98.99395	6.7
99.00906	11.9
101.00957	43.7
102.98878	16.6
106.74206	2.6
109.02962	13.4
111.00909	25.3
112.98679	23.8
113.00935	2.9
117.00450	80.1
123.03046	2.9
124.98836	33.0
125.00968	25.8
126.98891	29.7
127.02555	8.6
129.00452	3.4
130.98338	3.9
137.02463	34.4
139.02548	3.1
141.00453	41.8
143.00972	5.3
143.02017	70.3
144.02148	3.3
144.99931	11.7
145.40005	2.6
147.03018	13.7
149.00954	27.7
149.04572	4.6
150.98903	22.6
150.99936	3.8
151.02531	9.7
155.02032	17.3
156.99878	3.7
157.03557	17.1
159.01530	32.5
165.00360	4.2
165.97586	3.1
167.02045	17.2
168.99937	100.0
169.03519	4.7
170.00069	5.7
170.97879	13.3
171.01521	8.3
173.88655	2.4
177.00453	5.2
180.99895	4.4
183.01520	11.1
191.02058	7.2
191.60841	2.8
192.99936	30.5
193.03542	16.0
195.01486	10.1
196.99478	15.3
198.97336	10.6
199.01050	10.4
208.99406	4.1
211.00941	8.3
224.98933	26.8
227.00479	10.9
237.02565	10.4
254.99973	37.3
255.03539	23.4
255.08199	8.5
255.23349	28.3
256.03705	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0665
Annotation	Emodin anthrone
Peak:m/z	Relative Intensity
50.82433	0.4
71.30446	0.5
83.32007	0.5
91.63391	0.5
92.00187	0.4
95.90350	0.4
119.21541	0.4
120.36550	0.4
127.66589	0.5
127.87756	0.5
139.05542	1.0
143.04970	0.6
145.02943	1.3
146.03691	1.0
146.09740	0.4
155.05040	7.2
156.05765	1.5
159.04562	3.0
160.05298	1.0
161.02451	0.5
167.05031	3.4
168.05777	0.8
171.04539	2.6
182.03761	0.9
183.04517	35.8
184.05273	8.2
185.06055	2.5
187.04016	18.7
188.04552	0.9
189.05615	2.5
195.04523	43.2
196.04977	2.3
197.06047	1.1
198.03235	1.0
199.03981	2.0
211.04018	15.9
212.04787	22.6
213.05568	5.3
215.03438	0.8
223.04028	7.4
224.04713	1.3
225.05412	0.6
227.03505	1.1
227.07166	10.0
239.03456	2.1
240.04291	73.3
241.04996	12.3
255.03046	6.2
255.06641	100.0
255.15808	1.7
255.23314	10.1
256.07208	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0664
Annotation	Pinocembrine
Peak:m/z	Relative Intensity
63.02406	4.8
65.00333	8.0
67.01859	0.8
71.31635	0.7
83.01405	6.6
87.04345	0.7
87.83574	0.7
89.30728	0.7
107.01389	9.2
108.02197	1.5
127.13908	0.7
129.66611	0.6
136.01678	0.9
141.07109	0.9
145.06595	7.6
151.00381	11.3
152.91689	0.8
159.75354	0.7
164.01173	1.4
169.06630	2.2
171.04547	7.0
172.05252	1.6
183.08185	1.2
185.06090	2.3
187.07663	3.0
201.07912	0.7
211.07668	4.0
213.05588	11.7
255.06641	100.0
255.23293	10.9
256.07043	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.8
57.52801	0.7
58.00586	1.0
59.01368	1.8
59.49144	0.7
62.89370	0.7
67.49912	0.6
71.01393	6.1
71.32401	1.1
73.02953	100.0
74.70384	0.7
87.04527	1.1
123.08160	2.7
133.61711	0.9
161.05489	0.8
175.14978	1.3
181.12373	8.3
186.71036	0.9
193.15961	2.9
194.37730	0.8
195.04509	1.2
209.15559	0.8
227.03517	2.0
240.04240	1.9
255.03015	6.9
255.06703	2.6
255.16032	48.2
255.23299	19.4
256.16302	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2331
Annotation	2-Hexyldecanoic acid
Peak:m/z	Relative Intensity
52.49946	2.8
65.19996	2.5
71.07719	6.9
72.38803	3.0
75.24572	2.5
82.68821	2.6
92.05759	3.2
139.61404	2.6
255.23300	100.0
256.23560	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48273	0.5
77.33405	0.4
80.10415	0.4
91.74314	0.4
95.01425	0.7
107.05065	0.8
109.02974	1.4
114.83154	0.4
135.04517	0.7
142.18576	0.4
143.05031	0.4
146.03726	0.5
158.03711	0.6
159.04529	2.2
161.02469	1.3
171.04457	0.5
172.05318	17.9
173.05933	0.6
175.04025	0.7
183.04538	5.9
185.06160	0.4
186.03273	0.8
186.06815	0.5
187.07660	100.0
188.08028	3.1
188.46646	0.4
189.05537	0.8
196.05310	0.6
197.06087	0.8
198.06924	0.7
199.04018	8.8
200.04788	5.4
201.05463	0.5
204.04300	3.2
206.90240	0.5
210.86061	0.4
211.04024	0.9
211.07639	4.3
213.05827	0.8
213.09227	11.6
214.06314	2.7
214.09523	0.7
215.07135	16.7
216.07437	0.7
226.02774	0.4
227.03529	10.0
228.04297	7.8
229.05009	0.8
229.08696	6.7
230.09131	0.4
232.03801	1.0
239.07263	0.7
246.05386	0.8
257.08206	93.3
258.08493	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0821
Annotation	2,2-Bis(4-hydroxyphenyl)-propanoic acid
Peak:m/z	Relative Intensity
58.53624	0.6
65.03966	3.1
69.15379	0.6
76.58231	0.5
81.03452	1.1
83.05039	1.5
93.03462	12.1
95.01409	0.8
106.04252	22.0
107.05038	48.5
108.02180	11.5
109.02979	2.7
111.04557	0.6
121.02966	12.6
124.05969	0.5
129.96648	0.6
137.02542	0.8
138.03238	3.5
151.04031	8.8
155.80182	0.5
171.08153	2.2
213.09225	74.6
214.09520	3.2
219.84599	0.8
221.84225	3.2
257.08206	100.0
258.08566	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1034
Annotation	Trachycladindole G
Peak:m/z	Relative Intensity
56.12513	1.6
57.03183	2.4
57.03453	39.4
59.01389	8.4
67.63265	1.6
69.02905	8.9
69.03334	5.8
81.03477	1.9
84.92295	1.2
95.05035	49.9
96.40767	1.5
97.75371	1.3
123.08170	5.1
124.75741	1.6
149.09689	1.6
151.11302	45.2
153.09195	2.0
169.12350	54.9
170.12663	1.6
195.10320	10.9
202.63174	1.5
213.11336	100.0
214.11784	4.0
257.04578	4.2
257.10339	62.4
257.13358	2.9
257.14157	3.3
258.10736	3.7
260.47717	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29982	1.3
55.02073	1.3
55.31986	1.3
69.03474	1.7
69.35120	11.0
72.99314	3.6
77.01692	1.4
82.03014	2.2
83.01399	6.3
85.02945	12.9
98.48626	1.5
101.02460	5.7
127.08784	22.6
129.01942	17.2
130.05109	2.0
141.84903	1.4
167.11868	2.2
176.04019	1.8
179.03445	2.9
193.09866	4.3
195.11417	2.3
211.10909	24.7
213.12450	8.8
239.10365	2.4
240.71947	1.6
257.11459	100.0
257.24005	4.1
258.11774	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2124
Annotation	2-hydroxypentadecanoic acid
Peak:m/z	Relative Intensity
53.75628	0.5
55.01881	0.5
57.74052	0.5
61.74636	0.5
72.99297	0.5
81.03453	0.5
98.22577	1.5
178.22707	0.5
183.17543	0.8
207.17555	1.0
209.19145	4.8
211.20688	74.2
212.21063	3.2
221.84236	0.7
226.51614	0.4
239.20180	1.8
257.21237	100.0
258.21609	3.9
276.83908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0226
Annotation	D-Glucose-6-phosphate
Peak:m/z	Relative Intensity
62.96380	0.3
65.16707	0.3
69.46887	0.9
69.47293	0.6
71.01376	0.9
72.99329	0.3
78.95909	100.0
87.05631	0.3
89.02466	0.3
96.96969	86.7
101.02470	0.6
115.21812	0.2
127.81170	0.3
138.52350	0.2
138.98045	6.2
164.22466	0.3
168.99089	1.6
198.90591	1.7
199.00140	2.7
212.72519	0.2
213.05173	1.0
214.93724	0.9
216.90639	2.6
240.53618	0.3
240.91629	2.2
241.01155	2.6
258.92694	2.6
259.02243	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0608
Annotation	2-Methoxy-6-acetyl-7-methyljuglone
Peak:m/z	Relative Intensity
57.03453	4.2
65.46681	0.8
72.98593	0.9
73.00330	0.7
78.95903	1.0
80.02687	0.8
81.03457	0.9
83.01392	8.0
93.03461	4.6
95.01401	1.7
95.94429	0.7
107.05022	1.5
108.02160	5.8
109.02962	22.5
111.00905	2.9
119.05046	6.4
119.83355	0.7
121.02966	19.3
122.03796	1.9
123.04543	1.0
124.01671	26.7
125.02454	45.8
129.03471	1.2
130.04271	2.5
131.04967	1.0
134.03773	1.4
135.04547	4.2
137.02458	50.2
138.02748	1.2
143.05101	1.0
145.02979	3.0
145.06616	3.8
146.03738	2.7
147.04538	18.0
148.05333	8.3
149.02458	8.5
149.06067	10.0
150.03236	26.4
151.04083	5.1
157.02975	1.0
158.03755	3.5
158.42172	0.9
159.04587	1.8
161.02496	5.1
161.06117	5.4
163.04016	3.1
169.06578	0.8
171.04562	2.2
172.05315	11.8
173.02422	3.3
173.06084	23.8
174.03232	10.1
175.04008	76.2
176.04517	2.6
179.03598	1.2
183.85716	0.8
185.06195	0.9
187.04062	4.7
187.07639	2.7
188.04822	1.5
189.05576	25.9
190.05817	1.0
191.03424	2.0
191.07155	15.9
193.97980	0.8
197.06091	3.6
199.04028	2.2
200.04819	1.9
201.01999	4.2
204.04260	2.0
213.05563	3.1
214.06281	1.0
215.07118	17.8
215.32852	0.9
216.04268	2.4
217.05069	14.8
217.75078	0.9
222.58861	0.8
225.21072	0.8
230.02252	0.8
231.06638	1.2
241.05107	7.3
242.05768	1.1
259.06107	100.0
259.11816	3.2
260.06381	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67718	0.9
57.03437	3.6
59.01376	1.4
63.55326	0.9
65.03980	1.4
66.39852	0.9
69.03454	0.9
69.81366	4.5
73.02945	2.2
74.46146	0.9
81.03439	2.0
83.01022	0.9
83.01397	10.0
93.03479	6.6
97.06552	1.3
108.02170	4.8
109.02960	19.6
111.00870	2.5
119.05058	6.4
121.02961	23.8
122.03743	1.7
123.04504	1.2
124.01669	28.5
125.02454	45.3
129.03474	1.0
130.04233	2.4
131.04996	1.0
133.02943	1.6
134.03787	1.7
135.04523	10.6
137.02452	57.4
138.02725	1.0
143.05043	1.9
144.05804	1.2
145.02904	2.8
145.06590	3.7
146.03748	2.7
147.04546	16.1
148.05342	8.4
149.02461	10.1
149.06053	9.2
150.03236	28.9
151.04080	5.1
158.03737	3.5
159.04501	2.0
161.02414	5.5
161.06157	4.5
163.04018	2.7
171.04533	2.1
172.05316	9.4
173.02448	2.6
173.06079	22.2
174.03233	9.8
175.04016	76.8
176.04475	1.6
179.03520	7.4
185.06055	1.2
187.03996	3.8
187.07623	3.0
188.04774	1.0
189.05574	27.8
191.07173	16.1
192.07504	1.3
197.06035	3.5
199.04022	2.1
200.04897	1.2
201.01918	3.5
204.04277	2.6
213.05618	2.9
215.03636	1.5
215.07127	16.8
216.04288	2.7
217.05072	16.6
231.06670	1.7
241.04987	7.4
242.05905	1.2
259.06110	100.0
259.11789	5.2
260.06470	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38680	1.5
52.79034	1.6
56.85255	1.5
57.56745	1.7
59.01385	18.2
69.07592	14.9
69.07991	2.2
72.80135	1.6
84.25735	1.7
103.12833	1.8
109.07719	1.7
117.97322	1.6
133.08144	1.6
137.09715	5.9
145.42171	1.7
155.10789	100.0
156.11168	3.5
171.10280	20.8
179.29739	1.5
181.08736	3.7
199.09779	29.8
200.92966	1.5
215.12730	1.9
217.10811	96.2
218.11151	3.2
243.21132	1.7
259.05948	3.7
259.11844	11.8
273.52591	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	17.1
64.56872	0.8
69.87130	1.1
69.87457	3.6
127.11325	1.2
137.09731	7.6
140.55850	0.8
151.00325	1.1
155.10793	100.0
156.11127	2.0
171.10278	23.0
171.11687	1.5
181.08806	1.4
199.09767	30.2
200.10089	1.5
216.04214	2.5
217.10812	86.1
218.11147	3.0
241.05064	3.8
259.06100	11.3
259.11835	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0439
Annotation	CLONIXIN
Peak:m/z	Relative Intensity
51.25222	0.4
59.01373	1.0
63.96215	0.4
71.01372	0.4
71.31551	0.4
74.02445	1.2
79.95743	32.1
80.96523	15.2
80.96902	0.2
96.96029	1.4
101.02434	0.5
106.04237	0.6
109.06567	0.5
111.04534	0.8
116.03499	0.6
125.09679	0.4
125.81938	0.3
128.03517	0.4
131.19048	0.3
132.04552	0.5
135.08145	0.8
137.09752	2.3
149.06046	0.8
153.09261	0.4
160.01732	0.4
172.99142	6.6
173.99850	0.6
175.04108	0.6
181.08730	9.7
182.09015	0.4
188.01491	5.1
189.02347	0.9
202.03073	0.6
217.05363	4.6
219.34067	0.4
238.36246	0.4
243.03311	8.4
246.01950	0.8
261.04382	100.0
262.04764	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1135
Annotation	Parthenin
Peak:m/z	Relative Intensity
59.01375	2.5
61.89240	0.9
69.00144	2.0
69.00549	6.0
75.86855	0.8
82.51935	0.9
84.01374	0.9
93.49425	0.8
98.22485	1.4
98.22783	0.7
99.04510	8.5
111.04544	1.1
116.92853	0.9
129.57242	0.9
134.89471	2.4
149.06120	2.0
161.06107	2.8
167.53630	0.8
217.12346	17.4
218.29002	1.0
260.87253	0.9
261.11322	100.0
262.11639	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64440	1.8
57.03446	4.5
59.01370	1.9
68.01419	1.7
69.03464	6.0
70.02985	10.3
70.61231	3.5
71.01379	6.4
81.53016	2.1
82.02957	2.8
85.02959	60.7
86.02475	2.9
87.04535	7.2
87.92535	2.5
94.39916	1.6
96.00941	3.5
96.04559	100.0
97.02972	9.1
98.02499	4.4
99.00887	7.0
99.04540	2.7
100.04054	2.1
101.02495	2.6
103.92037	4.2
108.04550	2.8
111.04488	2.2
112.04060	4.7
114.01933	2.2
115.04042	4.3
120.99675	2.4
126.05633	3.2
128.03560	11.2
129.01962	16.7
139.04045	3.8
139.08495	1.9
140.03630	2.6
141.01929	5.5
142.01477	36.2
145.96758	3.0
158.04604	20.6
159.02968	2.2
160.21584	1.8
172.02562	5.6
199.94176	2.6
202.03601	4.6
219.05128	2.3
261.94165	3.8
262.05759	6.3
262.09256	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1136
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
53.95135	1.0
55.01877	7.5
57.03454	6.5
58.00581	2.2
59.01381	40.7
67.01858	1.1
69.03452	1.4
71.01385	100.0
71.04669	1.8
71.05025	24.8
72.01737	1.3
72.99305	3.5
73.02945	30.0
73.06580	4.3
75.00888	2.0
78.95908	2.0
83.01385	13.1
83.05035	11.3
85.02953	49.3
87.00864	3.3
89.02448	17.8
93.03461	2.3
95.01393	8.6
95.05058	1.2
97.02921	2.5
98.22339	7.4
99.00883	10.6
99.04472	1.5
101.02450	54.4
101.03123	2.7
101.06087	38.7
113.02458	39.9
117.05533	1.0
119.03491	4.6
121.02963	1.5
125.02418	1.2
129.01955	2.3
135.04501	3.9
143.03493	2.3
149.06050	1.2
159.03017	5.7
161.04567	19.9
173.04536	4.9
175.04282	1.0
176.07132	2.6
179.03534	2.0
191.05659	1.3
220.06204	2.5
263.05765	1.5
263.11285	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15999	1.5
52.39435	1.5
53.51094	1.5
55.01870	6.3
55.83109	1.6
57.03442	6.4
58.00604	3.3
59.01382	79.8
67.01891	5.3
69.03474	3.1
69.27890	12.2
71.01387	100.0
72.99303	6.8
73.02953	31.4
75.00868	2.2
83.01398	12.9
84.29767	1.7
85.02952	45.6
87.00903	11.1
89.02454	31.4
93.03458	19.1
95.01383	8.7
97.02951	3.1
99.00895	11.7
101.02452	89.1
108.02164	3.0
109.02956	4.4
111.04542	4.3
113.02455	44.2
119.03496	9.2
125.02470	2.0
129.01909	3.4
135.04541	17.2
143.03487	3.4
144.04578	2.3
147.06734	3.7
155.03452	1.9
159.03012	7.4
161.04590	43.8
171.66798	1.8
173.04614	3.3
174.08029	1.7
179.03539	2.4
205.03406	1.9
221.99117	1.7
247.06334	3.1
248.06990	2.9
260.07043	2.0
262.08926	2.3
263.06000	3.5
263.08032	32.3
263.11349	12.7
263.58154	9.5
278.08087	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91523	0.4
67.75602	0.4
69.09442	4.2
71.01390	0.6
73.61629	0.5
95.95247	1.2
96.96008	0.6
103.07399	0.5
108.05801	0.5
111.04511	1.0
113.06045	0.6
118.12151	0.5
121.06600	0.7
122.03766	0.7
125.06056	1.3
127.22053	0.5
136.05302	1.1
136.66559	0.5
138.06824	0.7
139.07635	1.1
148.12683	0.5
151.07666	3.1
152.08411	1.7
161.09708	0.6
201.12837	2.4
203.10818	1.7
204.11577	3.1
217.12349	10.0
219.13911	31.1
220.14290	1.2
233.11826	0.9
237.14952	10.7
238.15416	0.7
263.12888	100.0
264.13239	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	3.2
59.50574	1.9
59.58206	1.9
69.64310	4.4
69.64729	7.9
71.01372	5.2
79.05547	2.1
83.05006	4.1
83.72762	2.0
85.02966	3.2
95.05034	2.6
95.95261	4.9
96.95998	3.5
97.02956	8.2
97.22998	2.0
98.22518	2.6
103.19063	2.3
105.07101	3.7
107.12589	2.2
108.05827	8.1
109.02949	7.4
111.04535	11.1
111.08175	2.8
113.06109	9.9
119.08673	4.0
120.05780	1.9
121.06645	6.1
122.03757	15.8
123.08166	8.5
125.06082	20.9
135.08179	3.2
136.05310	18.6
137.06075	8.1
138.06894	20.4
139.07668	36.2
148.05336	9.5
149.06049	4.7
151.07660	83.4
152.04836	5.7
152.08455	41.5
153.09251	11.7
159.11813	3.3
161.09741	6.0
163.07622	14.2
166.49863	2.1
167.07246	4.0
170.05811	3.1
185.09807	4.3
186.10594	2.6
188.08488	4.2
189.01982	3.4
189.09204	10.3
201.12833	34.6
202.13109	2.5
203.10785	29.4
204.11560	71.6
205.11813	3.4
219.06714	3.8
219.13919	100.0
220.14322	2.5
236.97812	2.1
263.05920	7.8
263.12878	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.129
Annotation	ABSCISIC ACID
Peak:m/z	Relative Intensity
57.68668	0.9
70.44605	1.0
83.05013	1.0
98.21741	2.9
108.41205	1.1
109.06595	1.6
111.04539	1.3
119.08665	2.5
121.06597	1.4
125.06062	3.4
134.46536	1.0
135.08197	2.7
136.05312	7.5
137.09752	2.4
139.07658	1.6
149.06128	1.0
151.07620	2.3
152.08440	4.0
157.13280	1.0
161.09705	2.8
163.07652	1.7
164.08467	1.4
171.08156	2.0
185.09796	4.5
186.10458	3.3
188.08499	2.3
189.09265	6.4
201.12883	20.4
202.13138	1.0
203.10809	22.4
204.11560	54.2
205.11984	2.1
219.13905	45.9
220.14247	1.7
229.61938	1.3
245.11909	2.0
263.12903	100.0
264.13257	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21863	1.6
51.58250	1.5
52.65369	1.6
57.03461	4.0
59.01368	2.6
68.84524	1.5
69.11882	14.0
71.01370	4.0
79.05557	1.5
83.05029	5.8
85.02968	2.3
85.10957	1.5
87.45102	2.0
91.75695	1.6
95.05029	1.8
97.02950	9.9
97.77307	1.7
99.04561	2.1
105.07115	2.8
107.04998	4.5
108.05806	5.4
109.02940	8.4
109.06587	4.9
111.04561	12.4
113.06084	9.7
119.08675	6.2
120.05759	1.7
121.06618	4.2
121.38423	1.7
122.03760	16.6
123.08177	6.7
125.06110	17.7
135.08163	4.9
136.05315	18.2
137.06096	6.9
137.09758	2.5
138.06885	22.2
139.07683	34.8
145.31683	1.7
148.05331	9.9
149.06117	3.2
151.07672	75.4
152.04787	6.8
152.08464	37.7
153.09300	11.4
159.11830	4.2
161.09709	8.7
163.07678	15.0
167.07059	3.1
170.05847	2.6
171.08177	3.4
185.09673	2.0
188.08426	3.3
189.09238	9.3
201.12843	33.1
202.13254	2.5
203.10796	26.3
204.11568	67.8
205.11932	4.0
219.13919	100.0
220.14278	4.7
245.11981	2.0
263.12930	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1291
Annotation	gamma-CEHC
Peak:m/z	Relative Intensity
71.32373	1.1
71.33355	1.0
122.03780	0.9
151.07652	1.0
152.08450	1.0
152.15608	0.8
154.02284	1.0
201.12869	3.7
203.10869	1.3
204.11548	3.5
219.13925	43.7
220.14262	1.9
245.11816	4.9
246.12170	0.9
263.12897	100.0
264.13330	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1291
Annotation	gamma-CEHC
Peak:m/z	Relative Intensity
57.03422	1.6
59.98516	1.2
62.91671	1.3
69.20544	10.1
73.02955	17.4
97.02993	1.9
98.22439	3.5
99.04521	19.7
111.04523	2.8
115.70425	1.3
122.73119	1.3
148.71767	1.3
175.14796	1.2
189.09242	18.1
201.12862	5.7
219.13908	100.0
220.14287	5.7
245.11923	2.3
263.12918	66.8
264.13165	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1291
Annotation	gamma-CEHC
Peak:m/z	Relative Intensity
55.96465	1.4
69.07901	14.5
73.02943	1.7
90.80003	1.8
94.76444	1.8
98.57268	1.6
107.42292	1.6
134.89519	2.9
136.89198	2.2
151.07675	2.0
152.91797	2.4
175.14960	2.8
180.91328	1.9
201.12813	8.7
204.11528	2.6
219.13914	53.1
220.14235	2.3
245.11778	9.2
263.12906	100.0
264.13266	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1291
Annotation	Hirsutic acid C
Peak:m/z	Relative Intensity
55.79011	2.3
57.03450	20.6
59.01332	2.1
71.01365	4.3
71.05016	2.6
71.29471	2.9
73.02937	2.4
74.37327	2.0
75.56886	2.3
80.01559	2.1
89.37985	1.9
89.64015	2.2
95.16478	2.0
96.42942	2.2
101.06092	41.1
104.85997	2.2
119.05038	4.4
139.07602	2.9
149.06085	59.8
151.07645	6.3
161.06102	26.8
201.12856	7.7
203.10757	3.2
204.11525	7.9
219.13924	22.7
263.10104	5.4
263.12900	100.0
264.13248	4.4
264.15985	2.7
266.66003	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.129
Annotation	gamma-CEHC
Peak:m/z	Relative Intensity
59.98509	1.0
71.01349	0.7
71.77328	1.0
73.02953	3.4
79.05563	1.2
98.22144	6.2
99.04528	36.0
100.86037	0.8
111.04560	1.7
116.19672	0.8
121.10249	0.9
201.12912	4.5
207.28047	0.8
219.13914	66.0
220.14244	2.6
233.74309	1.0
245.11809	8.9
263.12900	100.0
264.13202	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0932
Annotation	8-Oxodeoxycoformycin
Peak:m/z	Relative Intensity
50.33091	0.5
53.23243	0.6
56.68774	0.5
57.03461	2.8
58.00596	2.3
58.71872	0.5
59.01384	44.2
59.17110	0.7
66.44171	0.6
69.82608	3.1
71.01385	24.9
72.99303	1.6
73.02943	1.5
78.95893	0.7
80.96484	0.7
83.01390	1.3
85.02959	23.3
87.00874	1.5
89.02454	24.7
95.01389	1.6
96.96072	1.2
98.21777	0.8
101.02452	18.0
103.04024	40.5
112.86092	0.6
113.02459	10.5
119.03519	10.5
120.95461	0.6
136.93994	1.0
143.03490	0.9
145.05080	1.7
149.04472	0.7
158.17757	0.6
161.04541	0.8
179.05608	1.7
265.09323	100.0
266.09555	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1235
Annotation	Magnolol
Peak:m/z	Relative Intensity
52.45838	0.3
60.44423	0.3
65.87411	0.3
66.18002	0.3
69.64104	1.6
79.95753	0.5
96.96018	21.7
98.21867	0.5
99.99664	0.3
119.83456	0.3
131.20340	0.3
133.06595	0.4
145.33438	0.3
153.49988	0.3
193.69072	0.3
223.07617	0.7
245.09737	5.7
247.11293	16.1
248.11549	1.0
265.12347	100.0
265.14832	14.8
266.12674	6.3
266.15198	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	9.2
57.03452	7.9
59.01386	68.8
61.91724	2.2
61.98834	3.5
71.01387	100.0
71.29636	3.1
71.30032	4.0
72.01711	2.1
72.99309	9.2
73.02949	36.1
75.00896	2.5
80.96506	2.8
83.01385	17.2
85.02963	51.0
86.00146	2.4
87.00885	7.1
89.02457	26.1
92.05093	2.4
95.01399	4.8
96.96016	2.6
99.00900	15.6
101.02454	89.5
102.02782	2.4
103.07677	2.0
107.03655	6.1
108.98363	2.2
111.00871	3.7
113.02464	37.3
119.03526	8.5
121.75202	2.0
125.02450	3.4
129.01926	2.5
134.04736	85.8
136.04076	3.2
137.02437	3.2
143.03572	3.9
159.03015	7.8
161.04570	36.9
221.09378	4.4
257.93152	2.3
265.08270	3.9
265.12720	17.8
266.08899	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1447
Annotation	Mitchellene D
Peak:m/z	Relative Intensity
70.39367	5.6
73.02951	37.2
73.26339	2.5
78.01075	2.4
81.75549	2.4
83.32846	2.5
94.32777	2.4
95.05022	3.5
123.08177	3.1
136.05296	4.6
151.07648	62.5
153.09251	9.3
177.16502	6.1
196.66151	2.4
203.14398	7.8
221.15485	100.0
221.19019	5.9
222.15826	4.5
265.14478	67.0
265.18127	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1447
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
57.03441	2.8
59.01393	0.9
59.48932	0.8
69.39697	4.2
69.40109	1.4
69.98370	0.8
71.01369	0.7
82.24580	0.7
83.05029	7.3
88.88007	0.7
95.05043	3.7
96.96010	1.2
104.53491	0.7
109.06601	1.4
113.06133	1.2
133.10226	0.7
135.08173	1.3
136.04082	0.9
151.07664	9.7
185.13426	2.3
203.14418	3.6
229.12418	0.9
235.13506	5.8
247.13382	1.5
265.14459	100.0
266.14709	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1448
Annotation	Fascicularone B
Peak:m/z	Relative Intensity
55.19289	0.7
55.90993	0.9
59.01387	1.7
68.06107	0.7
71.31857	1.5
73.02955	1.2
83.05042	1.2
95.05030	1.3
97.06593	11.2
123.08153	1.0
127.07633	0.9
151.11284	0.9
156.85559	0.9
172.93161	0.8
179.05447	0.7
192.07135	1.0
203.14447	1.8
221.15485	100.0
222.15807	4.3
247.13448	13.5
265.14462	95.9
266.14813	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1446
Annotation	Aspterric acid
Peak:m/z	Relative Intensity
59.01385	4.3
73.02943	9.3
83.05025	4.5
92.58213	3.7
124.89236	3.4
178.06494	4.8
180.26617	4.3
191.14378	4.3
203.14426	7.9
219.13988	5.5
221.15477	100.0
222.15819	7.4
247.13344	5.3
265.14514	74.6
266.14835	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1447
Annotation	[2S-(2alpha,4alpha,4aalpha,5alpha,8abeta)]-Decahydro-4,5-dihydroxy-4a-methyl-alpha,8-bis(methylene)-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
57.03441	4.5
59.01386	3.1
69.03448	5.7
69.09930	4.3
69.10349	4.8
71.01375	1.5
71.05022	1.4
74.27409	1.2
80.96540	1.8
83.05024	2.5
84.02187	1.5
85.02953	1.9
97.02934	1.8
99.08193	1.7
111.08163	1.7
125.09746	1.4
135.08128	2.0
137.09737	4.7
139.11301	1.7
145.06561	2.1
149.09752	10.6
160.08937	1.6
173.13385	10.0
175.11252	9.9
183.10324	7.9
185.13358	13.6
191.40999	1.2
198.79984	1.1
201.12833	3.3
202.99879	4.1
203.14423	78.2
204.14803	2.9
219.13896	2.5
221.15457	4.0
235.13354	1.4
246.98878	4.0
247.13341	3.0
265.14471	100.0
266.14822	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1447
Annotation	Aspterric acid
Peak:m/z	Relative Intensity
53.00404	1.5
59.26829	1.2
59.98533	1.5
63.26274	1.2
63.32617	1.4
69.10802	10.9
78.95918	1.6
83.04991	1.7
98.21725	2.7
99.04525	36.3
101.86957	1.2
111.04565	1.4
153.05371	1.2
171.45341	1.3
181.98270	1.5
203.14407	11.4
221.15485	100.0
222.15775	6.0
247.13472	2.8
265.14426	42.1
265.17661	2.6
266.14612	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1447
Annotation	[2S-(2alpha,4alpha,4aalpha,5alpha,8abeta)]-Decahydro-4,5-dihydroxy-4a-methyl-alpha,8-bis(methylene)-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
51.20271	0.5
69.03483	0.8
69.05030	3.7
69.05451	1.9
73.02918	0.6
83.05045	0.7
90.66410	0.5
98.22623	0.9
133.10249	0.7
135.98914	0.5
137.37657	0.6
142.59842	0.5
149.09735	4.2
151.11278	1.0
153.16287	0.5
175.11351	0.7
177.12794	1.4
187.11281	1.2
191.14441	0.6
201.12866	1.2
203.14418	61.1
204.14767	2.6
209.15268	0.6
219.13947	0.6
221.15552	6.1
229.79065	0.6
247.13400	42.2
248.13658	2.0
265.14453	100.0
266.14777	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1447
Annotation	Fascicularone B
Peak:m/z	Relative Intensity
50.43466	1.8
52.64310	1.6
56.41223	1.7
59.01366	2.5
71.31167	2.9
73.02932	2.1
74.97099	1.7
78.95906	1.9
97.53562	1.9
99.04522	32.6
118.15008	1.8
118.62168	2.2
161.12741	1.7
165.12868	4.1
177.12877	2.2
191.14394	4.1
193.15999	7.0
203.14377	7.8
219.13994	2.4
221.15483	64.4
247.13405	15.1
265.14453	100.0
265.17899	5.1
266.14755	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.181
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
51.57302	1.2
57.03431	4.4
59.01366	2.4
67.63127	1.1
69.06667	9.5
71.01348	1.3
71.10577	1.2
75.40941	1.2
78.95908	1.6
81.03458	2.0
83.05043	1.6
96.95971	2.6
97.06595	4.2
104.53490	1.3
121.10251	12.5
129.72507	1.1
143.07147	22.6
149.09735	1.9
151.11356	1.9
151.99132	1.8
153.12936	1.8
167.10857	1.8
197.11893	1.8
198.66965	1.3
203.18016	2.2
221.15556	1.3
221.19173	3.9
228.02356	1.3
247.17010	12.9
248.17253	1.8
265.00122	5.1
265.18106	100.0
265.99557	9.7
266.18469	4.6
269.99103	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1806
Annotation	tetranor-12(S)-HETE
Peak:m/z	Relative Intensity
50.81236	1.1
56.08791	1.3
57.03448	16.0
59.01373	2.8
59.11639	1.4
60.67612	1.3
69.18212	5.9
69.18639	5.6
71.01376	6.3
78.95894	1.8
85.49039	1.2
125.20206	1.2
156.04225	1.6
193.15936	2.2
221.19136	6.0
265.18097	100.0
266.18466	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0896
Annotation	Adenosine
Peak:m/z	Relative Intensity
69.09946	0.2
92.02544	1.9
107.03638	5.7
134.04738	100.0
135.04263	0.3
135.05092	0.7
141.85068	0.2
172.77861	0.2
176.05736	0.3
177.82950	0.2
184.00966	0.2
184.30946	0.2
223.86610	0.2
266.08957	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0737
Annotation	Inosine
Peak:m/z	Relative Intensity
59.01375	0.7
59.08539	0.2
61.07424	0.2
65.01430	0.4
71.00108	0.3
71.01380	0.9
72.99306	0.2
74.99091	0.2
78.95892	1.0
85.02924	0.4
87.00867	0.3
89.02452	0.5
92.02548	5.6
101.02457	0.2
108.02036	2.7
113.02441	0.3
115.00751	0.2
126.03117	2.1
129.00409	0.4
134.02380	0.2
135.03143	100.0
136.03528	1.1
149.04836	0.4
154.98314	0.3
156.99879	0.3
161.04575	0.3
166.99438	0.2
174.05940	0.2
177.04277	0.2
178.96098	0.3
179.03658	0.4
196.05725	0.2
206.95430	0.5
231.05119	0.2
266.93936	0.4
267.07349	34.8
268.07672	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.3
57.03455	6.5
58.00606	3.7
59.01382	100.0
70.63792	4.9
70.64138	5.4
71.01387	87.5
73.02958	30.3
81.80038	2.8
82.31097	2.4
83.01406	14.5
83.76830	2.6
85.02954	40.5
86.95876	2.4
87.00886	4.8
87.04545	3.8
89.02455	43.9
95.01407	9.0
98.73591	2.7
99.00895	8.9
101.02454	82.6
102.02789	2.5
105.05601	16.5
113.02463	41.4
119.03500	13.4
134.50972	2.7
135.03110	3.7
143.03479	3.9
149.22484	2.4
158.94273	2.6
159.03020	6.6
161.04567	50.7
179.05609	3.0
189.26840	3.1
267.10883	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1238
Annotation	G3
Peak:m/z	Relative Intensity
51.55928	0.7
57.03435	1.5
59.01370	0.8
71.01359	0.9
71.28703	0.9
79.95739	1.9
87.02134	0.7
90.40624	0.7
96.96014	1.6
97.02933	0.9
97.06564	0.9
99.04523	100.0
100.04858	1.4
122.03755	6.5
125.06098	1.9
135.04497	0.8
137.06070	5.8
145.10219	0.9
147.08168	1.1
151.04016	1.7
161.04784	0.9
163.03938	1.3
163.11292	7.8
164.04810	1.3
167.07097	1.8
168.07867	0.9
173.45152	0.9
175.11282	9.3
177.05556	0.7
187.11182	3.0
205.12341	22.1
221.04527	4.0
223.06026	1.1
223.13342	1.5
236.68735	1.0
237.11209	0.9
249.03943	1.4
267.02847	1.5
267.06210	1.3
267.09052	10.2
267.12357	33.7
267.15494	1.1
268.12552	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1602
Annotation	Gallicynoic acid B
Peak:m/z	Relative Intensity
52.70733	0.5
57.03436	1.8
59.01365	0.7
69.03466	3.2
69.83762	1.0
69.84109	2.6
71.05034	4.5
73.02967	0.7
83.05020	1.9
85.06606	3.8
96.96029	1.1
97.06583	1.2
98.22527	0.6
99.04527	100.0
100.04864	2.1
109.06573	0.6
112.00360	0.6
123.08155	2.0
125.06133	0.5
127.07658	2.2
135.11800	1.0
137.09723	1.7
151.11386	0.8
153.12854	2.3
155.10770	1.2
177.12874	2.0
179.10817	1.2
193.71288	0.6
205.12378	1.3
221.11836	3.9
223.13397	2.0
223.17055	1.9
249.11349	1.7
267.02975	1.6
267.12390	21.1
267.16034	21.2
268.12897	0.8
268.16443	1.0
279.37186	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91146	1.3
57.03453	20.6
59.01390	1.9
66.95188	1.6
69.03096	2.0
69.03461	37.4
73.02958	3.6
74.28302	1.7
81.07102	4.6
83.05036	19.3
93.07101	1.7
95.05054	3.0
111.08165	9.1
113.06090	4.8
133.10231	6.4
133.60724	1.5
135.11815	21.5
137.09724	4.4
143.68192	1.4
153.12849	1.7
155.07198	7.4
179.10786	51.2
180.11041	1.9
197.11845	11.3
227.41487	1.6
250.90047	1.7
267.16037	100.0
268.16382	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1603
Annotation	Trichotriol
Peak:m/z	Relative Intensity
52.24929	0.1
57.03458	0.7
57.23774	0.1
59.01385	0.2
59.36717	0.1
59.57585	0.1
63.41138	0.1
69.03452	0.2
71.05015	0.2
84.02156	0.4
85.02961	0.7
101.35570	0.1
121.02925	0.1
123.08160	0.6
125.09740	0.1
135.08183	0.2
153.09232	0.3
163.11272	0.3
167.10785	0.3
175.15062	0.1
177.12833	0.5
179.81728	0.1
188.01334	0.1
189.09288	0.2
191.14435	2.2
193.15982	5.5
194.16368	0.2
195.13976	0.3
195.17551	0.3
203.10754	0.3
203.14458	0.8
205.12331	2.6
205.15965	1.7
206.12758	0.2
211.16919	0.2
221.15489	3.3
222.15837	0.3
223.17175	1.6
231.13992	0.3
237.14940	0.5
249.14972	11.1
250.15359	0.6
265.14557	0.3
267.16019	100.0
268.16357	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1604
Annotation	Elongatol D
Peak:m/z	Relative Intensity
50.69210	0.3
53.38087	0.2
63.42287	0.2
69.03455	0.2
70.85088	0.3
70.85411	0.4
87.04540	0.2
121.02999	0.2
122.57038	0.2
137.72699	0.3
138.70029	0.3
144.05597	0.2
148.73497	0.2
153.09232	0.6
205.16011	0.6
207.50952	0.2
223.16998	0.9
249.14984	6.3
250.15387	0.3
267.16019	100.0
268.16339	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	7.5
59.01387	2.0
66.36913	1.3
69.03462	11.9
69.49187	4.5
69.49597	3.6
71.05033	11.6
73.09613	1.1
81.03453	1.7
83.05025	5.2
85.02953	2.4
85.06611	8.3
87.04526	7.9
87.58746	1.1
95.05052	1.5
96.95972	1.3
97.02957	1.9
97.06590	5.3
97.33250	1.1
99.04549	9.1
99.08152	1.5
109.06605	2.6
123.08196	3.9
125.06091	3.3
125.09779	1.6
126.95112	1.1
127.07669	3.2
135.11829	5.3
137.09755	10.3
141.09230	1.7
153.12869	4.1
155.10796	1.3
175.14862	1.5
179.10785	6.1
187.14929	4.6
193.16010	3.8
195.13977	1.3
205.15967	4.7
221.15437	1.3
223.17075	5.8
232.20473	1.4
249.15013	4.8
267.16037	100.0
268.16483	6.3
277.08716	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1604
Annotation	Elongatol D
Peak:m/z	Relative Intensity
56.04853	0.6
57.03435	1.4
58.33162	0.5
59.01364	1.0
61.04181	0.5
62.92055	0.6
64.35367	0.6
69.03468	6.4
71.01395	1.2
71.05025	0.7
73.02957	10.3
85.02956	2.0
87.04510	2.4
98.21752	1.4
108.34883	0.6
113.02457	7.1
123.08234	1.0
138.16985	0.6
138.48288	0.6
146.21552	0.6
179.10713	0.7
193.12367	4.7
203.14430	8.2
205.15971	1.0
207.13930	1.6
221.15442	1.0
223.17062	1.1
231.13863	1.3
249.15067	4.8
251.13065	0.8
265.14325	1.1
267.16034	100.0
268.16394	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44275	0.4
54.73222	0.4
56.87402	0.3
57.03454	0.6
59.01385	0.5
65.88534	0.3
69.03465	0.5
71.04996	0.9
75.74268	0.3
82.32989	0.4
83.05019	2.0
87.04552	0.5
89.69193	0.4
92.82822	0.3
99.04531	9.5
100.81913	0.4
112.43021	0.4
137.09755	0.5
175.14890	0.9
187.14877	0.6
191.14438	2.2
193.16010	2.2
205.16006	1.5
207.13997	1.0
219.13853	1.8
221.15465	1.4
223.16989	1.5
231.13870	3.0
237.14886	0.8
249.14983	10.7
250.15347	0.5
265.14551	0.4
267.16025	100.0
268.16342	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1603
Annotation	6-Hydroxypunctaporonin B
Peak:m/z	Relative Intensity
57.03437	4.7
59.01394	1.8
59.98515	2.3
60.26808	1.5
64.64847	1.8
70.44519	5.7
83.05034	16.4
88.70032	1.8
95.05025	1.8
99.04530	100.0
137.09767	2.6
138.68445	2.0
147.35701	1.6
175.14922	6.0
179.04372	1.6
179.89986	1.7
187.14957	5.7
193.15982	3.1
193.63986	1.9
205.15961	9.1
207.13936	16.4
219.13918	19.5
231.13922	31.6
249.14973	65.0
250.15266	2.7
267.16028	86.8
267.18918	4.3
268.16534	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	8.6
57.03439	6.4
58.00594	2.3
59.01095	2.2
59.01385	44.4
68.99796	2.4
71.01385	100.0
72.99303	4.5
73.02951	36.8
75.00874	6.5
79.43650	1.6
83.01395	15.3
84.02173	2.0
85.02961	46.1
87.00883	19.5
89.02466	4.0
95.01386	6.6
97.02959	2.1
99.00890	14.1
101.02453	80.8
113.02456	41.2
113.93195	1.5
121.02926	1.9
125.02435	3.5
129.01939	1.6
143.03432	2.0
152.01169	2.5
159.03056	7.9
161.04575	22.7
166.06352	12.6
181.08707	10.4
207.10257	2.3
211.02483	4.2
225.05482	2.2
225.11267	2.3
269.04761	8.7
269.07547	1.9
269.10342	11.5
269.13116	1.6
269.13791	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
62.20449	0.9
62.35308	1.1
62.58644	1.0
63.75428	1.0
68.90542	0.8
69.23948	3.5
69.24371	3.3
83.82706	0.9
98.22579	1.9
99.46134	0.9
109.02915	1.1
117.72623	0.8
135.04530	32.9
136.04793	1.2
147.04527	18.5
149.06056	3.6
156.32639	1.0
157.02960	2.0
159.04517	3.6
161.06090	6.6
162.06863	1.2
163.84956	1.0
169.06645	1.6
169.31424	1.0
171.04529	3.1
173.06055	2.0
175.04028	1.4
177.09158	1.5
179.06982	1.2
180.07933	100.0
181.08299	4.3
182.03650	1.6
183.04535	5.8
185.02463	1.1
191.07129	1.3
192.07935	89.9
193.08685	14.8
195.10269	36.5
196.05190	1.5
196.10678	1.6
197.06102	4.5
198.03233	1.7
199.03934	5.0
201.05591	8.5
207.10275	56.2
208.10623	2.7
210.08978	29.5
211.09364	1.2
213.05637	2.6
223.04066	1.2
223.09830	1.3
224.04875	2.4
225.05482	9.2
225.11330	63.2
226.02698	2.1
226.11671	2.3
227.03496	6.8
239.09239	9.4
240.04276	2.7
241.05060	8.2
251.03503	1.0
251.09271	5.3
269.04556	44.5
269.10342	10.3
269.13193	1.6
269.21362	1.3
270.05020	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1297
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
54.43102	0.6
57.81250	0.7
59.01368	1.1
59.45613	0.6
69.35494	0.6
69.35809	5.1
75.73757	0.6
98.21774	1.3
99.06607	0.9
108.12370	0.6
111.36280	0.6
120.04572	1.6
120.25172	0.8
124.03928	0.7
149.02324	0.6
167.14412	0.9
170.57275	0.6
199.08784	0.7
210.09360	0.8
211.08804	7.7
211.13344	1.2
225.10315	9.6
226.11026	2.0
239.08284	7.6
241.13416	2.0
253.09818	3.5
254.10603	32.2
255.10893	1.3
269.12946	100.0
269.17642	2.6
269.20956	1.6
270.13339	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1759
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
57.03441	0.3
59.01374	0.4
71.01375	0.2
71.31596	0.2
72.99289	0.3
73.02947	2.3
79.48844	0.1
84.02165	0.3
85.02968	0.3
101.06081	0.2
103.26340	0.1
123.08112	0.2
128.46510	0.1
135.11806	0.2
149.13358	0.7
165.12830	0.4
181.16103	0.2
181.24001	0.1
189.16348	0.1
191.14452	1.0
193.15988	12.1
194.16310	0.5
195.14044	0.1
205.16020	0.6
207.17621	0.1
211.16983	0.2
223.17000	1.0
225.18649	0.3
237.14980	0.6
251.16547	0.4
267.16003	0.4
269.04861	0.7
269.17593	100.0
270.17932	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1761
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
57.03451	6.2
59.01373	1.6
70.78778	0.8
71.01379	1.4
71.05014	2.9
71.32004	1.1
72.02168	1.8
73.02946	2.3
83.05009	1.5
85.02950	3.1
85.06584	2.5
87.04520	100.0
94.15602	0.8
95.04961	0.9
97.06591	2.2
99.04520	5.5
101.02426	1.2
101.06119	0.9
116.95680	0.8
123.08137	1.0
125.09741	0.8
137.09717	1.5
143.10793	1.9
181.12337	1.8
189.16418	1.3
193.12317	1.2
199.05173	1.8
207.13979	0.8
207.17509	6.4
209.15497	1.8
225.05574	0.9
225.14917	1.9
225.18675	2.1
251.12868	1.7
251.16479	1.1
269.04587	5.6
269.14090	7.1
269.17575	94.6
270.17874	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	6.2
59.01373	1.6
70.78778	0.8
71.01379	1.4
71.05014	2.9
71.32004	1.1
72.02168	1.8
73.02946	2.3
83.05009	1.5
85.02950	3.1
85.06584	2.5
87.04520	100.0
94.15602	0.8
95.04961	0.9
97.06591	2.2
99.04520	5.5
101.02426	1.2
101.06119	0.9
116.95680	0.8
123.08137	1.0
125.09741	0.8
137.09717	1.5
143.10793	1.9
181.12337	1.8
189.16418	1.3
193.12317	1.2
199.05173	1.8
207.13979	0.8
207.17509	6.4
209.15497	1.8
225.05574	0.9
225.14917	1.9
225.18675	2.1
251.12868	1.7
251.16479	1.1
269.04587	5.6
269.14090	7.1
269.17575	94.6
270.17874	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.176
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
55.49135	1.0
57.03452	31.0
59.62619	1.2
60.39110	0.9
60.65651	1.1
64.39423	1.0
65.00330	1.9
69.03442	1.7
69.21078	5.3
69.21489	2.5
71.01366	0.9
71.05013	2.7
72.51370	0.9
73.02945	2.3
74.73225	0.8
81.02121	1.0
85.02923	1.4
87.04521	45.0
97.06602	1.0
98.22131	4.2
99.04533	16.6
107.01388	1.4
117.03465	7.3
125.09759	1.2
133.02974	1.2
143.04358	1.1
149.02420	2.6
151.00389	3.3
155.07195	2.4
159.04520	1.5
169.06651	1.0
179.14388	2.6
180.39667	1.1
181.06590	1.2
181.12405	2.4
183.04539	1.3
201.05602	2.0
207.17529	3.3
223.13284	1.5
225.05589	2.3
242.96227	1.1
254.75056	1.2
256.76175	1.3
269.04562	43.7
269.17596	100.0
270.04828	3.6
270.17969	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.176
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
57.03452	6.8
59.01369	0.9
62.96414	1.0
70.62687	1.2
71.05025	23.1
72.63457	0.8
73.02948	1.3
79.93051	0.6
90.66164	0.6
100.63419	0.7
113.06095	2.6
115.04007	0.7
121.86929	0.6
121.87837	0.5
137.09729	11.9
141.31740	0.7
151.07658	1.4
151.11301	0.7
153.12859	12.2
162.12462	0.6
181.16002	7.1
186.95592	1.9
207.17569	8.5
223.17036	0.8
225.18600	4.3
251.16521	16.9
252.16872	1.3
269.04474	2.1
269.17590	100.0
270.18024	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0226
Annotation	5-epi-Valiolone 7-phosphate
Peak:m/z	Relative Intensity
51.31263	2.7
52.66581	2.7
71.27338	3.3
76.48626	3.0
78.95914	43.2
93.03462	7.1
96.96970	100.0
110.95969	2.7
111.04559	4.7
135.84805	2.6
148.41238	2.9
149.02303	2.4
149.49626	2.5
173.04536	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01342	2.6
70.43899	2.7
70.44231	4.2
71.01382	2.6
73.02956	13.0
77.00216	1.9
78.91866	3.2
78.95911	47.3
83.05027	3.9
93.03461	35.2
96.96970	100.0
97.83962	1.9
99.00863	5.0
99.04543	3.2
111.04550	13.9
120.75166	2.0
129.02019	2.4
137.02498	9.6
142.99893	10.7
155.03493	6.5
173.04547	47.4
199.38251	2.5
275.29263	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.025
Annotation	1,7-Dihydroxy-2,3-methylenedioxyxanthone
Peak:m/z	Relative Intensity
63.02396	2.7
65.00327	16.7
71.28017	1.7
76.24897	1.0
79.07305	1.1
83.01384	4.9
89.03985	1.5
105.03461	1.3
107.01400	15.3
115.01971	1.5
115.05548	2.0
117.03482	10.6
119.05046	2.6
129.03490	2.4
131.01402	2.3
131.05040	1.6
132.02190	2.0
133.02959	5.6
141.03459	2.2
143.01395	1.8
143.05035	4.5
145.02921	2.5
147.04515	4.3
149.02428	2.3
151.00375	30.5
155.05049	5.5
157.02956	6.5
159.04501	3.9
161.02458	100.0
162.02811	3.9
164.76219	1.1
171.04501	8.2
173.02489	2.4
175.04045	3.5
177.01926	3.6
182.03757	4.3
183.04544	12.3
185.02444	30.4
187.00394	15.2
187.03992	3.5
188.77071	1.1
198.03212	1.9
199.04010	19.0
201.01947	12.1
203.03529	29.4
204.03807	1.4
207.07951	1.1
215.03502	20.5
217.01361	2.5
226.02815	1.4
227.03516	81.8
228.03871	2.8
229.01404	9.1
232.98164	1.1
241.05066	2.2
243.02992	27.9
253.05267	1.1
271.02499	95.8
271.15524	3.0
271.19110	2.4
272.02826	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0614
Annotation	CHEBI:68126
Peak:m/z	Relative Intensity
57.54209	0.7
70.26775	2.0
77.99461	0.7
93.03484	2.5
117.03499	1.7
119.05045	1.7
133.03041	1.1
139.05527	0.8
141.07147	2.1
143.05034	16.9
144.05482	0.8
145.02957	0.9
157.06627	4.4
159.08141	3.7
167.05019	5.2
169.06572	1.7
180.05827	5.7
181.06596	7.2
182.07359	2.3
183.04529	6.3
183.08157	6.0
185.06085	23.6
185.07735	1.3
186.06490	0.8
187.03880	0.8
195.04567	0.9
196.05299	0.8
197.06096	3.3
199.07745	0.9
203.38881	0.7
208.05348	5.9
209.06088	14.7
210.03253	0.8
210.06592	1.0
211.03966	4.3
212.04829	4.0
224.04829	2.6
225.05568	14.0
226.06213	1.0
227.07156	80.5
228.07507	4.7
252.04323	2.1
253.05074	100.0
254.05415	7.8
254.96658	0.8
271.06131	62.5
271.19049	1.1
272.06470	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69514	0.7
63.02405	11.4
65.00329	20.6
66.14418	0.6
69.20916	4.9
71.47195	0.7
72.44944	0.8
83.01395	13.3
93.03466	15.6
107.01401	30.4
107.43993	0.7
108.01757	0.8
119.05038	87.6
120.05386	2.4
120.39897	0.6
121.03000	0.8
125.02442	1.9
137.02444	0.9
142.96532	0.8
143.04970	1.2
145.02950	1.6
149.02448	0.9
151.00378	75.7
152.00726	2.0
161.06082	1.9
165.01930	4.4
165.05602	1.9
169.01440	1.8
170.43961	0.7
174.56509	0.7
177.01929	10.0
183.04424	0.7
185.06129	2.2
187.03983	3.5
196.04797	0.8
197.06134	0.9
199.04088	1.8
213.05589	1.2
215.03511	1.2
225.05621	1.7
227.03529	1.3
227.07074	1.6
240.07974	1.3
241.04991	4.1
243.02975	1.8
256.07294	3.5
267.53906	0.7
271.02585	21.1
271.06155	100.0
272.03589	1.0
272.06512	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0615
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
63.02404	12.4
64.72786	0.4
64.83496	0.5
65.00330	18.5
70.84254	1.1
81.03482	0.6
83.01394	14.4
93.03468	16.8
94.00726	0.5
107.01399	28.1
108.99342	0.7
109.02961	0.7
117.03497	0.9
119.05038	81.4
120.05393	2.1
121.02980	0.9
125.02460	1.1
143.05052	1.1
145.02953	1.3
151.00386	75.7
152.00729	1.2
157.06519	0.5
161.06056	1.8
162.92241	0.5
165.01958	4.1
169.01421	2.4
177.01947	11.6
177.75021	0.5
185.06030	0.9
187.04118	2.3
207.86488	0.5
227.07201	1.5
229.05040	1.0
271.06137	100.0
272.06516	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0613
Annotation	Hydramacrophyllol B
Peak:m/z	Relative Intensity
57.03451	14.4
59.01375	0.7
60.18745	0.3
67.70397	0.4
71.29911	0.7
77.52106	0.4
81.03442	3.5
83.01389	2.8
87.04502	0.4
89.03950	0.4
93.03475	0.5
99.11214	0.4
105.03474	0.5
109.02973	2.6
111.00890	4.4
115.05535	0.8
117.03480	1.1
121.02996	0.7
125.02455	100.0
126.02772	1.9
127.02351	0.5
130.04240	0.6
131.05017	1.4
133.03014	0.9
133.06618	1.7
135.04558	3.4
143.05051	1.6
145.02968	26.6
146.03763	5.0
149.02440	4.9
153.07066	0.6
155.05008	0.9
157.06538	1.9
158.03754	0.6
159.04530	31.1
160.05161	1.6
161.02496	2.2
161.06082	11.6
161.07422	0.6
162.06448	0.7
165.07138	0.6
167.05035	0.9
170.03784	0.8
171.04541	0.5
173.06128	0.6
175.03975	1.2
175.07520	0.5
177.05550	0.5
181.06613	1.7
183.04529	7.5
184.05270	1.2
185.02486	1.7
185.06088	11.4
186.03319	0.8
187.03998	8.0
187.05556	0.6
188.04869	1.0
197.06041	1.4
199.04031	1.5
199.07681	1.6
201.05568	6.8
203.03633	0.6
203.07138	10.4
207.04553	1.2
209.06091	5.0
211.04008	4.0
212.04779	1.1
213.01952	1.1
215.03517	2.3
225.05576	3.3
227.03568	4.7
227.07114	7.2
228.04141	0.5
229.01445	0.8
229.05113	3.7
230.02266	4.6
235.04005	1.7
241.05116	1.1
243.02919	2.2
243.06560	0.7
243.10320	0.5
251.03516	0.9
253.05074	22.9
254.05421	1.7
255.02872	0.6
256.03830	1.6
256.07269	1.0
271.02548	27.5
271.06149	41.5
271.12125	1.3
271.15591	1.5
272.02917	1.6
272.06491	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.7
59.01378	3.9
61.19995	0.5
70.44717	0.5
71.01386	9.2
71.27381	0.4
72.78818	0.6
72.99301	0.8
73.02962	3.5
78.95898	5.1
81.03443	0.7
83.01373	1.2
83.05045	0.6
85.02969	5.6
93.03464	3.7
95.01396	1.6
96.96023	1.9
96.96963	8.0
97.02929	0.8
99.00919	2.4
101.02458	4.3
108.02184	100.0
109.03017	9.6
111.04536	1.4
113.02464	4.8
117.00423	0.8
121.02963	0.8
123.00899	1.3
123.04528	1.8
125.02454	1.1
126.98920	0.9
128.07205	1.0
129.01945	0.5
130.08751	16.5
131.08296	6.8
133.02983	0.7
137.02428	1.9
143.03461	0.6
151.03975	3.2
155.03426	0.9
155.47736	0.5
159.02943	0.8
159.40685	0.5
161.04559	3.6
163.04027	2.3
166.03015	0.9
169.03665	0.8
173.04562	4.5
173.10458	2.9
186.02670	0.5
201.86613	0.6
213.05515	0.5
228.07320	0.6
230.08813	2.1
239.00468	0.9
243.00250	0.6
253.76521	0.5
254.04617	4.1
271.02960	0.5
271.08206	1.7
271.22867	0.7
272.09915	7.7
278.12711	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0981
Annotation	5,6-Dihydroxy-2,4-dimethoxy-9,10-dihydropenanthrene
Peak:m/z	Relative Intensity
63.02429	1.6
65.00329	2.9
69.03519	4.5
78.09277	0.5
83.01429	1.7
93.03475	3.1
107.01405	4.4
109.02984	0.9
119.05042	13.1
121.02995	0.5
121.06631	0.5
125.02500	0.7
143.05092	0.6
145.03036	0.7
151.00383	13.4
151.01582	0.7
155.05090	0.7
157.06660	1.4
159.04602	0.5
161.06029	0.5
165.01880	0.5
165.05637	1.4
165.96042	0.5
167.05084	2.1
168.05580	0.5
169.06595	4.6
171.04506	2.6
177.01976	1.5
180.05881	1.1
181.06561	0.5
181.51747	0.4
183.04550	1.6
184.05014	3.3
185.06078	12.8
187.04033	1.9
188.04401	1.7
195.04530	10.3
196.05051	5.9
197.06093	22.0
198.03294	0.7
198.06467	1.2
199.03987	1.2
210.06877	0.7
211.04010	2.4
212.04709	8.3
213.05565	43.7
214.05986	2.1
215.03268	0.6
223.04031	6.5
224.04741	7.6
225.05579	39.6
226.06319	7.8
227.07143	2.5
228.07600	1.5
239.03577	1.2
239.07234	1.2
240.04335	6.9
240.07930	29.1
241.05040	100.0
241.08836	2.7
242.02721	0.7
242.05363	4.2
243.03085	0.7
255.06625	4.6
256.07291	88.6
257.07706	4.9
271.02542	3.4
271.06171	15.2
271.09686	51.9
272.06427	1.2
272.10059	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.228
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
50.87708	1.0
51.02598	1.0
54.22961	1.2
64.19030	1.1
70.06096	4.8
154.04955	1.4
173.87521	1.0
176.20000	1.2
212.20006	1.1
221.19276	1.5
223.20650	4.8
223.79375	1.1
225.22255	69.5
226.22615	2.8
253.21590	1.4
255.42865	1.1
271.22791	100.0
272.23206	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.3
71.26692	0.5
86.48780	0.3
86.87910	0.3
100.01807	0.4
108.02221	0.5
117.00432	2.1
125.00938	0.6
125.85997	0.3
126.98917	0.7
128.07193	1.1
130.08752	100.0
131.08270	0.7
131.09091	1.4
159.01596	0.4
160.49551	0.3
161.31157	0.3
168.99954	2.0
169.03481	0.4
172.01047	0.8
195.01459	1.1
210.06229	0.7
228.07333	2.3
230.08829	7.8
231.09061	0.4
272.09937	38.6
273.04742	2.6
273.09998	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0771
Annotation	Phloretin
Peak:m/z	Relative Intensity
50.32270	0.7
52.59666	0.7
57.03437	2.0
65.00328	4.2
68.77215	0.7
69.20318	4.4
69.20726	1.7
81.03465	31.7
83.01394	9.5
93.03448	6.4
98.22507	1.0
99.04534	0.9
107.01402	4.1
119.05042	28.6
123.04540	45.6
125.01654	1.3
125.02464	13.3
135.04475	1.2
145.04567	0.8
149.02480	1.1
151.00383	5.2
152.00760	0.9
153.00861	0.7
167.03505	100.0
168.03894	3.0
169.06569	1.0
179.03522	4.6
187.07671	1.2
189.05493	4.0
208.59242	0.9
229.08711	2.5
245.11526	0.9
273.07718	72.6
274.07968	5.3
277.86255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0771
Annotation	Phloretin
Peak:m/z	Relative Intensity
51.76884	0.3
57.03457	1.9
58.15548	0.4
59.01378	0.7
63.02405	0.6
65.00329	3.1
65.83420	0.3
69.03478	0.5
69.45309	0.5
69.45727	1.5
70.43580	0.4
79.95753	1.0
81.03465	24.9
82.03799	0.4
83.01391	7.8
85.76016	0.4
89.74252	0.3
93.03471	10.3
95.01404	0.5
95.05039	1.0
99.04530	0.7
107.01405	3.2
111.04532	0.7
119.05038	21.2
120.05350	0.5
122.03726	0.4
123.04539	42.4
124.04839	1.1
125.02462	12.5
135.04498	1.6
143.04973	0.4
147.04547	0.6
149.02460	1.1
151.00395	4.9
166.02734	0.9
167.03510	100.0
168.03856	3.0
169.06642	0.9
171.04530	0.7
172.99144	0.6
179.03516	7.9
180.03848	0.4
185.05980	0.5
187.07668	0.9
189.05562	3.6
211.07645	0.7
229.08704	1.1
255.06610	1.2
273.07724	61.4
274.08130	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99094	0.4
57.03421	0.6
59.01371	0.6
65.00340	0.7
71.32328	0.7
81.03471	1.6
83.01399	4.3
83.05035	1.0
84.02174	2.1
92.26686	0.4
93.03478	0.9
97.02955	0.4
97.06592	0.6
107.01424	1.3
123.04525	1.0
123.08162	0.4
125.02432	0.6
125.09732	4.9
127.11304	1.7
143.72226	0.4
151.00371	1.7
163.11288	1.9
165.12854	1.1
167.03522	1.6
171.10307	4.6
182.13155	1.1
191.10760	3.9
207.10349	0.8
209.11861	4.4
211.13510	0.9
223.13416	0.8
226.12148	1.8
231.15884	0.4
241.14452	2.1
243.16040	1.3
245.04517	3.0
273.04059	1.6
273.17108	100.0
274.17447	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0562
Annotation	2,2',4,4',6-pentahydroxy-6'-methylbenzophenone
Peak:m/z	Relative Intensity
52.11807	1.4
57.03450	9.5
57.27305	1.3
59.01370	3.0
64.11130	1.3
67.01891	2.3
69.03421	1.7
69.55057	6.1
71.01379	1.4
71.64159	1.5
76.41933	1.3
78.95940	1.4
81.03461	3.3
83.01396	18.2
85.02947	1.4
91.16737	1.2
93.03464	4.9
97.02961	1.8
107.05045	4.2
109.02952	34.4
111.00854	1.6
112.37491	1.4
115.05531	1.9
116.58377	1.2
119.05029	3.8
121.02954	6.2
123.00938	3.0
123.04532	2.3
124.01664	4.5
125.02453	86.8
126.02804	2.9
131.05043	1.7
133.06538	2.9
135.04562	2.9
137.02454	100.0
138.03171	5.9
143.05020	5.9
145.02942	3.5
145.06607	2.7
146.03763	1.9
147.04546	9.5
149.02458	10.0
150.03215	4.5
151.00349	1.8
151.04013	7.4
157.06606	2.4
157.84409	1.2
159.04526	10.1
161.02496	3.2
161.06093	6.3
162.03181	1.5
163.04002	7.9
165.01929	5.9
165.05577	3.2
166.02690	5.3
167.05013	5.3
169.06674	6.1
171.04533	6.6
173.02492	2.6
174.03192	1.4
175.04008	2.3
177.05690	1.5
183.04512	2.5
185.06090	5.7
187.04015	13.8
187.07545	1.3
188.04727	3.8
189.05574	19.3
191.03513	13.7
195.04530	3.5
195.08270	1.7
201.05548	2.0
203.03613	3.4
203.07166	4.3
205.05003	3.9
207.06631	30.9
211.04039	5.9
213.05591	8.4
215.03531	5.3
217.01439	2.1
229.05103	23.8
231.03113	2.9
231.06660	8.3
233.04526	7.4
239.03453	2.4
247.06174	4.3
257.04572	23.8
275.05630	74.1
275.11459	4.3
276.06079	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0776
Annotation	Ranunculin
Peak:m/z	Relative Intensity
50.43197	1.1
55.01868	1.5
56.43578	1.3
57.03456	16.0
59.01376	4.8
61.76201	1.1
66.68666	1.5
69.03465	1.2
71.01387	26.0
71.29900	1.4
72.99323	1.3
73.02950	7.2
78.95942	1.3
83.01396	5.0
85.02951	13.2
85.11707	1.2
89.02455	2.0
95.01427	1.8
97.02972	1.8
99.00898	2.2
101.02435	14.3
101.94991	1.2
113.02459	100.0
115.46349	1.1
120.78890	1.3
125.02457	2.1
137.02393	1.1
143.73924	1.2
159.02965	2.9
161.04593	10.8
182.05415	1.2
275.04785	1.7
275.07532	2.9
287.99478	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0928
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
50.21092	0.6
57.40850	0.6
61.16346	0.6
69.22466	5.4
69.98602	0.5
79.95747	2.0
80.96513	1.4
84.31973	0.7
84.77311	0.6
95.04999	0.8
98.22490	0.9
105.03465	2.0
117.03477	0.8
130.04263	0.9
133.02963	4.6
134.03766	8.1
135.04489	2.2
146.03757	1.3
151.07698	0.8
158.03740	3.5
159.04555	4.8
159.08205	0.8
162.03185	2.8
172.05302	12.1
173.06090	9.1
174.06856	0.8
178.02676	1.5
184.05441	0.7
187.04175	4.7
187.07654	100.0
188.01509	1.0
188.08011	3.9
201.05577	9.6
202.06361	18.7
203.10803	1.8
204.04279	2.2
213.09206	2.9
215.07146	1.0
216.07899	1.0
231.10269	23.7
232.10606	1.2
261.84338	0.7
275.09406	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14854	0.2
63.96241	0.7
69.01073	1.4
69.01491	0.7
71.05030	0.4
79.95741	33.3
80.96525	13.7
90.59870	0.2
92.67150	0.2
95.05041	0.7
111.04539	0.6
113.14158	0.2
118.60016	0.3
139.42537	0.3
150.34949	0.2
172.99146	11.3
173.00647	0.6
187.00764	0.6
187.07675	0.7
188.01486	8.7
220.00597	0.4
242.81854	0.3
257.08563	0.9
260.07208	1.4
275.09613	100.0
276.09921	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1141
Annotation	Clandonensine
Peak:m/z	Relative Intensity
59.01385	100.0
63.32787	1.3
64.75117	1.2
69.15587	9.1
72.69772	1.0
80.70522	1.0
85.02918	1.3
97.06608	2.1
100.60520	1.1
109.06621	6.0
111.08164	12.3
113.02413	1.2
125.09727	19.9
127.07645	5.4
133.02939	1.5
135.08099	1.4
140.05908	2.4
153.09256	12.3
155.07138	6.0
161.02499	5.1
171.10280	79.2
172.10579	2.8
173.08200	44.3
173.09720	2.1
174.08557	1.6
187.03960	1.3
187.07770	1.3
187.09676	1.8
197.08200	6.0
201.75430	1.1
215.09244	55.7
216.09526	2.9
233.10316	51.5
234.10658	2.6
274.10529	1.0
275.02145	1.8
275.05600	2.4
275.11441	17.8
275.14435	2.2
276.11697	1.1
288.37027	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1292
Annotation	Ethambutol Hydrochloride
Peak:m/z	Relative Intensity
57.03453	44.2
57.30140	0.6
58.94166	0.5
67.01902	0.6
79.95739	3.0
80.96526	10.8
105.03417	0.6
109.02995	0.6
111.04539	11.3
121.02950	0.7
122.34138	0.7
129.07170	1.1
133.02982	2.0
134.03758	5.1
135.04506	2.0
143.05029	4.0
145.02936	1.5
145.06599	1.0
146.03769	3.2
147.04556	3.1
147.08154	1.4
149.06097	1.0
155.10892	0.8
158.03745	2.0
158.48909	0.6
159.04523	25.8
160.05159	1.3
161.06102	8.0
162.03264	0.7
163.07684	0.6
171.04526	15.7
172.05017	1.0
173.06085	10.1
174.03249	2.3
174.06715	0.9
175.04012	7.6
175.07654	2.6
176.04776	2.4
177.05576	4.7
185.06091	1.5
187.04033	10.1
187.07614	3.3
188.04810	32.3
189.05585	44.3
189.09172	4.9
189.99474	3.0
190.05940	1.8
199.07677	4.9
201.05591	2.7
202.06169	1.3
203.07144	19.7
204.07460	0.8
205.08679	5.7
217.08710	35.2
218.09042	1.9
223.68645	0.6
231.10225	2.0
245.08151	1.0
246.08992	72.1
247.09369	4.2
252.66470	0.6
275.09613	19.7
275.12915	100.0
276.10062	1.3
276.13248	5.5
295.81818	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
67.66380	19.1
69.02527	53.1
69.02956	82.2
98.22474	34.8
145.95233	16.4
152.91759	22.9
160.84253	17.5
194.92729	30.2
275.84454	16.1
277.14499	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.9182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76249	0.3
59.01387	0.5
70.31290	0.9
78.95914	0.5
79.95747	1.4
90.98092	0.5
92.96015	1.3
96.96020	32.4
116.72110	0.4
119.93762	0.4
132.99121	0.4
134.97070	47.5
135.97159	1.4
136.94023	100.0
137.94077	3.9
151.92668	0.4
176.98116	14.7
178.95071	5.4
192.96114	0.4
216.89694	81.9
217.89763	3.5
234.90753	22.1
234.97154	1.3
235.90807	1.6
236.89034	0.5
276.91742	1.0
276.98227	19.1
277.98404	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0329
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02990	2.5
64.69764	1.5
71.01376	4.2
71.26766	2.7
78.95913	51.3
80.96531	3.9
85.01060	1.6
85.02945	1.8
87.00838	2.1
96.96970	100.0
104.48027	1.6
109.02944	4.8
113.02469	4.9
115.02095	9.0
125.02486	1.7
128.03552	3.4
145.03311	5.3
146.08235	3.6
148.04073	2.3
157.03123	1.5
167.03447	2.0
187.00380	1.9
187.04170	1.9
187.54291	1.8
189.02301	2.6
193.84859	1.6
198.61421	1.6
205.05148	3.9
212.03619	1.4
216.90594	2.3
277.03806	18.7
277.06955	2.2
277.07993	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80285	0.5
51.61710	0.4
57.03445	0.5
59.01378	1.3
66.52910	0.4
69.03091	0.9
69.03459	13.7
70.82853	0.4
71.01400	0.6
71.05019	3.6
79.95736	8.0
80.96523	100.0
81.03459	11.9
85.02959	0.6
95.05036	1.5
97.02970	3.5
99.04582	0.5
99.35387	0.4
102.96165	0.4
104.02659	0.5
109.02993	0.9
111.04527	3.1
112.38544	0.5
113.02460	11.9
119.05045	1.2
121.02976	0.6
123.04517	0.7
123.08127	0.6
125.02464	1.3
125.31300	0.5
131.03577	0.6
133.06601	1.4
137.50233	0.5
139.04002	1.2
145.02869	0.5
146.08228	2.3
151.07651	6.2
153.09201	0.6
162.05609	0.6
163.00746	1.5
174.97168	0.6
189.99385	0.7
191.06920	0.4
195.06628	4.8
197.11781	0.4
215.03856	1.6
215.07120	6.3
217.12000	0.5
233.04909	1.0
233.08263	1.0
269.22708	0.4
277.03885	68.1
277.12296	1.3
277.21762	0.6
278.04041	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.072
Annotation	Microdiplodiasone
Peak:m/z	Relative Intensity
51.25063	0.9
54.01376	0.8
57.03443	3.2
59.01367	1.3
59.10245	0.8
68.99829	0.9
69.03459	1.2
69.74110	0.8
71.28899	1.1
80.96529	1.3
81.03458	1.6
83.01404	6.8
85.02964	10.5
93.03466	1.1
95.04984	1.0
97.02962	3.8
99.00896	1.3
108.02180	2.2
109.02962	100.0
110.03281	2.1
111.00897	3.5
113.02437	1.3
119.05032	1.3
120.99617	1.7
121.02946	4.9
123.00937	1.1
123.04510	3.1
124.01659	3.5
125.02478	13.1
126.78456	0.9
127.04031	4.8
130.04221	1.0
131.03775	3.1
134.03728	0.9
135.04497	2.0
137.02458	1.2
139.04016	2.4
145.02975	2.0
147.04498	2.5
148.05286	1.3
149.02435	6.7
150.03232	6.2
151.03989	1.0
151.88350	1.0
155.03494	4.1
161.06067	1.4
163.04088	1.5
163.07623	2.5
167.03506	63.4
168.03807	1.9
172.05312	3.5
172.25063	1.1
173.02483	1.1
173.06067	1.7
174.03214	3.4
175.04012	11.0
176.04878	0.9
177.05611	5.8
187.04034	5.2
187.07733	1.3
188.04765	1.6
189.05534	4.3
190.02757	2.1
190.06381	2.4
191.03499	2.1
203.03601	1.1
205.05040	1.8
205.08702	8.8
215.03513	1.8
215.07117	5.3
216.04312	5.0
217.05109	5.3
230.05859	3.3
231.06618	3.3
233.04573	8.4
241.05090	2.4
259.06079	22.3
260.06448	1.0
277.04208	1.6
277.07187	26.4
278.07547	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1083
Annotation	8beta-Hydroxyeremophil-7(11)-ene-6alpha,15
Peak:m/z	Relative Intensity
97.02956	29.1
105.07085	1.6
121.02961	1.6
135.08200	2.8
137.09724	1.7
146.07370	12.1
171.11833	4.3
187.11272	10.8
189.12862	71.6
190.13199	3.2
231.10228	11.8
233.11835	100.0
234.12209	4.7
259.09851	1.8
277.10837	39.3
278.11075	2.8
278.83112	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2174
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.68952	0.2
59.01382	3.4
69.06498	3.0
69.14468	0.2
72.68091	0.3
98.21840	0.8
121.02959	0.4
127.07645	0.5
205.16077	0.4
233.19301	0.3
233.22720	0.4
259.20682	0.6
275.20172	0.4
277.18341	4.8
277.21725	100.0
278.22083	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2174
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.66437	0.5
53.28828	0.6
53.82682	0.6
59.01370	1.0
60.36544	0.5
70.59271	1.4
103.69804	0.6
114.57830	0.6
120.51591	0.6
127.07537	0.7
194.65298	0.7
207.91937	0.6
277.21738	100.0
278.22009	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08090	0.2
57.87009	0.2
59.01383	3.4
64.97195	0.2
70.07544	0.8
71.01369	0.8
83.05013	0.3
95.33410	0.2
96.19694	0.3
97.06594	0.2
121.02969	0.4
127.07652	0.3
143.66200	0.2
205.15915	0.8
233.19148	0.4
233.22752	0.6
259.20709	0.8
275.20129	0.6
277.18341	4.8
277.21722	100.0
278.18802	0.5
278.22076	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92803	7.8
59.01379	27.9
69.61121	19.7
69.61523	25.3
71.01376	31.9
73.02932	14.9
79.95708	8.7
80.96499	15.1
85.02968	12.5
88.04031	9.0
91.83482	7.5
96.96030	64.6
99.71844	6.8
101.02437	22.4
106.35942	7.8
111.34243	9.7
113.02475	13.3
132.03043	47.5
171.08206	11.2
172.55911	6.8
181.01823	9.7
197.56979	7.8
214.29059	7.2
215.47041	8.3
235.06461	11.1
245.86195	7.1
279.05417	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1086
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
54.29429	0.7
54.85069	0.7
58.00581	1.7
59.01383	55.7
66.11603	0.9
67.44827	0.9
71.01389	28.5
71.05027	6.0
71.16164	0.8
71.28564	1.0
71.29011	0.8
72.99329	2.1
73.02957	1.4
83.01379	1.5
85.02951	5.3
87.00875	1.9
89.02451	33.6
89.55325	0.8
95.01373	2.8
97.44276	0.7
99.00895	1.3
99.04529	21.1
100.04882	0.8
101.02444	18.0
108.30393	0.7
111.02024	1.6
113.02463	11.9
116.02999	0.9
117.05591	35.0
119.03509	15.2
131.03491	1.8
143.03505	2.3
149.04662	1.1
159.06665	1.4
160.02693	1.3
161.04536	1.5
173.04628	1.3
179.05655	2.3
191.05658	1.3
218.90219	0.9
243.06303	1.4
279.05490	2.5
279.10867	100.0
280.11154	5.2
284.66003	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1087
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
55.01884	1.3
57.03462	1.3
58.00580	4.4
59.01383	100.0
64.55810	1.1
69.22766	4.0
69.23191	4.9
70.31010	1.0
71.01389	48.4
71.05015	3.7
72.30660	1.2
72.99304	3.4
73.02963	1.2
83.01384	1.7
85.02969	10.1
87.00867	1.7
89.02452	61.9
94.45857	1.4
95.01379	3.6
99.04532	8.5
101.02454	30.3
113.02457	20.7
117.05589	20.6
119.03511	25.4
129.26585	1.2
131.03496	1.8
143.03525	3.3
149.04515	1.5
161.04558	1.4
179.05605	3.2
201.19330	1.3
279.10883	64.4
280.11133	2.7
299.79465	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1239
Annotation	9'-HOABA
Peak:m/z	Relative Intensity
57.03453	8.7
59.01372	1.4
64.19399	1.2
64.49515	1.2
69.03459	5.3
76.58475	1.0
83.05039	3.9
93.03476	1.1
95.05030	2.9
97.02971	8.8
97.06586	2.1
99.04518	6.1
107.05045	2.5
109.02955	1.9
109.06614	3.8
111.04551	5.1
119.05017	1.2
121.06609	4.5
122.03746	1.3
123.04542	2.1
123.08164	3.3
125.06101	8.5
133.06601	1.5
135.04543	1.6
135.08218	2.1
136.05307	15.2
137.06163	1.2
137.09727	5.6
139.07640	8.7
147.04544	1.4
147.08182	3.1
147.11816	4.7
148.05278	1.8
149.06105	2.4
151.07660	100.0
151.11278	9.4
152.08000	3.7
156.09448	2.8
157.10233	1.5
158.07413	3.7
159.08214	1.3
160.08894	1.6
161.06209	1.7
161.09760	1.3
162.06911	1.8
165.09137	2.1
167.07133	4.8
168.07936	26.0
169.08673	8.3
171.08183	3.9
171.11780	4.5
173.09703	5.8
175.11324	3.0
177.09167	1.6
179.07181	7.3
179.10832	3.6
184.08960	19.2
185.09286	1.4
187.07610	2.5
187.11288	11.9
189.12886	12.5
191.10809	2.1
199.11266	12.0
201.09167	6.5
202.09970	4.5
205.12335	32.2
206.12639	1.6
215.10791	6.5
215.79424	1.1
217.12350	52.4
218.12697	3.1
235.13354	7.5
243.10237	2.6
249.11365	1.3
261.11395	2.6
279.12408	20.0
294.63394	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81231	0.6
51.82298	0.6
54.99808	0.7
57.03453	12.9
57.44036	0.6
69.03446	2.0
69.55582	3.8
71.05030	0.9
78.40244	0.7
81.03498	0.9
83.05013	3.6
83.46210	0.7
85.02950	1.5
85.06590	1.0
87.00864	0.8
90.98599	2.2
93.03492	0.8
94.04262	0.9
95.05011	3.9
97.02956	10.0
97.06596	3.1
98.21835	1.1
99.04522	1.8
107.05030	2.0
108.02228	0.8
109.02980	6.5
109.06614	8.2
111.04523	5.5
113.02493	0.8
119.08685	3.0
120.94055	0.8
121.06612	6.6
122.03755	20.3
123.04570	4.4
123.08193	1.4
124.05312	22.0
125.06133	5.7
129.07468	2.0
135.04538	2.0
135.08228	1.8
136.05290	1.0
137.06088	13.6
137.09705	1.7
139.07664	100.0
140.08005	2.4
145.10274	1.2
145.11795	0.7
147.08168	5.6
148.05255	1.6
163.07697	2.4
163.11354	2.3
165.09236	0.9
168.07936	24.6
169.08607	2.0
169.10286	1.0
171.08176	3.1
172.08966	1.0
175.07658	1.4
175.11295	1.7
177.09239	1.1
177.12852	3.2
178.34909	0.8
179.00166	1.0
180.07890	0.7
185.09718	0.8
187.07726	1.0
187.11295	22.5
189.09206	2.6
190.10011	5.0
191.07518	0.9
205.12347	39.8
206.12775	1.8
217.12318	3.6
231.10211	0.9
235.13376	4.6
249.11313	1.7
279.12390	10.8
285.35013	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27711	0.8
55.01843	1.0
57.03450	12.9
59.01376	1.1
69.03456	1.6
69.58053	5.0
71.01394	1.3
71.05006	1.2
79.05530	1.4
79.64146	0.8
81.03465	1.3
83.05035	3.5
85.06585	1.0
93.03506	1.1
94.04226	1.0
95.05048	2.3
97.02950	11.1
97.06623	4.0
99.04488	1.1
107.05016	2.1
109.02965	7.2
109.06609	7.5
111.04520	4.8
111.08218	1.2
119.08641	4.3
121.06623	5.4
122.03752	22.4
123.04583	4.6
123.08199	1.2
124.05310	20.7
125.06127	6.6
135.04544	1.4
135.08170	1.9
137.06099	13.8
139.07660	100.0
140.08022	2.1
145.10252	1.3
147.08139	4.6
149.09727	0.8
162.06844	1.1
163.07664	2.9
163.11287	1.9
168.07928	24.9
169.08675	1.8
171.08099	4.2
172.08960	0.9
173.66074	0.8
175.07668	1.2
175.11279	2.4
177.12825	3.1
187.11316	20.7
189.09215	1.6
190.09961	6.3
199.50580	0.9
202.10020	2.1
205.12343	39.5
206.12671	1.4
217.12399	3.0
231.10239	1.7
235.13460	6.0
249.11395	2.3
261.11255	0.8
279.12411	22.6
280.12781	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.124
Annotation	Penifulvin D
Peak:m/z	Relative Intensity
51.32561	1.0
56.40509	1.0
57.03450	1.8
62.39574	1.0
69.13262	7.5
79.95753	1.2
85.06637	1.1
87.00900	1.1
96.96021	10.2
97.03000	1.1
99.08176	2.1
112.68755	1.0
126.63881	1.2
129.07091	1.8
132.25304	1.1
135.08191	1.9
137.09720	20.1
158.47813	1.1
173.13364	49.1
174.13716	1.8
188.08183	1.2
191.14412	3.1
235.00507	1.1
235.13408	100.0
236.13776	4.0
245.72427	1.1
279.09207	6.0
279.12439	12.3
279.15796	2.1
279.23239	1.2
282.55515	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46713	0.9
56.51038	0.9
57.03185	1.2
57.03453	17.0
61.94473	0.9
67.17246	1.0
69.03461	1.5
69.19478	5.5
69.19896	3.1
81.03452	1.1
83.05030	3.2
95.05038	4.0
97.02957	9.4
97.06611	1.8
99.04522	1.3
107.05064	2.3
109.02965	7.4
109.06593	8.0
111.04528	3.9
111.08141	0.8
119.08671	3.0
121.06606	5.4
122.03751	17.9
123.04528	4.0
124.05312	20.4
125.06112	4.9
135.04501	1.6
135.08144	1.7
136.05280	1.2
137.06078	12.7
137.09755	1.1
139.07660	100.0
140.07985	1.8
145.10210	1.1
147.08189	3.8
148.05400	1.3
149.09750	1.1
163.07652	3.2
163.11368	1.0
168.07922	26.3
169.08676	2.9
171.08215	2.8
175.11331	1.1
177.12868	2.1
180.07913	1.2
185.09700	1.4
187.11290	21.6
189.09207	2.0
190.10022	6.4
205.12334	38.2
206.12698	1.7
217.12349	2.6
235.13438	4.3
249.11362	1.3
261.11243	1.1
279.12274	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.233
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01387	1.0
70.67665	0.7
70.86794	1.2
73.58171	0.7
78.12854	0.8
162.79216	0.8
167.45708	1.0
279.23312	100.0
280.23633	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	90.2
63.89584	13.0
69.80666	19.1
69.81082	47.2
71.01382	76.2
72.12916	14.0
73.02953	15.6
79.95757	16.6
85.02966	44.7
88.98817	62.2
89.02456	40.9
93.43021	14.9
95.01396	15.7
96.96010	24.8
101.02455	59.5
113.02460	38.3
117.79401	14.3
149.00662	100.0
149.02478	13.7
161.04633	31.6
192.99684	89.3
210.98048	13.9
236.98534	49.1
248.02676	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59705	1.7
83.08239	0.5
87.00888	1.0
93.03506	0.5
96.96011	0.7
98.21857	0.7
106.04211	0.5
121.02975	1.4
133.02968	1.2
134.03754	42.9
135.04141	1.3
137.02451	8.0
139.04018	2.3
149.06096	13.0
150.03226	0.7
178.02727	31.7
179.03053	1.1
193.05074	100.0
194.05373	3.4
281.06802	1.3
281.11066	0.5
281.13708	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14132	0.5
57.03447	0.7
59.01358	0.7
60.84418	0.5
63.36487	0.5
68.27473	0.5
69.25774	2.8
69.26184	1.4
73.02988	0.7
87.00847	0.9
93.03449	0.8
96.95999	1.4
97.02969	0.5
97.65137	0.6
98.22498	1.0
107.00916	0.5
121.02931	1.8
133.02953	1.2
134.03752	43.8
135.04170	1.1
137.02461	7.9
138.46931	0.6
139.04015	2.6
144.33675	0.5
149.02342	0.7
149.06085	15.6
150.03253	0.9
178.02724	39.0
179.03059	1.2
193.05069	100.0
194.05377	3.9
263.12976	0.9
281.04288	0.9
281.07095	1.0
281.10620	0.8
281.13904	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1186
Annotation	2,8-Dihydroxy-1,7-dimethyl-6-vinyl-10,11-dihydrodibenz[b,f]oxepin
Peak:m/z	Relative Intensity
51.82652	0.2
52.72708	0.2
61.98805	0.3
63.97195	0.2
65.03964	0.5
70.63920	0.5
91.05542	2.2
91.66146	0.2
93.03479	0.5
95.05022	0.3
105.03487	0.3
107.05042	0.4
108.84089	0.2
117.03493	0.3
117.07133	0.3
118.03783	0.2
119.05035	3.5
119.05836	0.3
123.00909	0.6
123.04506	0.2
124.01676	0.4
132.02171	0.4
133.06612	7.2
134.07033	0.3
135.04527	3.8
136.04884	0.3
137.02463	3.0
138.03214	0.3
145.02946	0.8
146.03725	0.4
147.04518	2.3
148.05318	1.3
163.04031	8.6
164.04805	79.0
165.05469	4.2
196.08858	0.4
237.12758	0.2
240.07947	1.1
263.10660	0.2
278.25650	0.2
281.11832	100.0
282.12207	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76103	2.5
56.88832	2.2
58.67638	2.4
59.01384	100.0
62.12234	2.1
64.51649	2.1
69.45439	5.8
69.45863	8.6
71.55346	2.1
85.02991	2.3
101.02432	3.8
113.02438	3.0
122.23306	2.6
130.29965	2.4
139.12671	2.4
167.26546	2.4
212.10323	2.4
221.10641	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83085	1.8
54.88500	2.1
55.01874	6.9
57.03458	6.5
58.00600	4.4
59.01382	100.0
59.34376	1.8
63.90606	1.6
70.14191	7.7
71.01389	99.4
72.99328	2.4
73.02960	21.4
83.01394	12.7
85.02956	33.8
87.00889	4.3
87.04533	3.6
89.02451	60.1
91.32201	1.8
95.01408	6.4
98.21849	2.4
99.00876	10.2
101.02450	71.5
113.02467	45.3
115.77972	2.1
119.03511	27.6
119.07158	12.8
131.03542	4.7
143.03508	4.3
150.04161	3.3
159.03023	7.7
161.04565	39.8
179.05646	4.3
184.99451	2.9
234.71094	2.1
243.06230	3.2
252.98567	2.4
281.12430	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1396
Annotation	Carolenalol
Peak:m/z	Relative Intensity
55.01884	2.4
57.02078	1.2
57.03177	1.7
57.03450	19.9
57.76534	1.1
59.01390	8.2
65.03951	5.0
69.23283	10.0
71.05014	2.3
83.05038	17.6
87.00882	20.2
93.03439	1.7
95.01402	1.9
95.05027	5.8
97.02936	2.1
98.03692	1.6
98.21777	3.1
100.33812	1.2
101.06078	2.2
107.05024	2.2
109.06580	1.8
111.04527	6.2
111.08153	4.6
113.06108	2.5
119.08711	3.2
121.06577	9.8
122.03786	1.3
123.08171	38.3
124.05300	3.5
129.07079	3.0
129.66492	1.2
133.06548	2.2
135.04507	2.2
135.08203	2.5
137.06102	2.5
137.09711	8.5
138.06871	1.5
139.07686	7.4
145.10197	5.0
145.11272	1.6
149.09715	2.5
151.07616	4.5
153.09233	4.6
161.02472	2.2
163.11237	1.8
169.08830	1.9
169.10219	4.3
171.11809	47.3
172.12099	1.9
179.03508	1.5
189.12871	17.0
193.05038	1.9
201.12868	17.4
202.13454	1.5
207.13875	11.5
219.13911	8.3
237.14980	58.8
238.15320	2.5
281.13950	100.0
282.14359	6.3
297.37262	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1397
Annotation	Carolenalol
Peak:m/z	Relative Intensity
55.01865	1.8
57.03451	18.0
59.01377	8.7
65.03970	4.9
69.03458	2.8
71.05006	1.4
72.04814	1.3
79.95752	2.0
81.03440	1.5
83.05036	22.0
84.92896	1.2
85.02926	1.8
87.00877	22.1
88.01184	1.3
93.03452	2.4
95.05012	7.5
97.02911	1.6
97.06574	1.8
98.21816	3.5
101.06082	2.1
107.04945	1.3
109.02934	1.7
109.06590	2.6
111.04531	9.4
111.08141	6.5
113.06068	1.5
119.08689	2.2
120.05796	1.1
121.06590	10.2
121.80403	1.3
122.03700	1.6
123.07272	2.4
123.08177	44.3
124.05336	2.8
127.29367	1.3
134.03749	9.7
135.08162	2.6
137.02481	1.6
137.06187	2.3
137.09709	6.0
138.06905	1.6
139.04051	1.6
139.07654	7.6
145.10239	6.8
145.83485	1.5
149.06056	3.0
151.07625	4.5
153.09221	6.1
163.11279	1.9
164.08484	1.9
169.08878	2.6
169.10240	4.6
171.11801	44.0
172.12180	2.9
175.11295	1.7
178.02728	5.9
185.09622	1.9
189.12868	16.3
191.10657	1.3
193.05083	16.1
201.12871	18.8
207.13921	10.4
219.13911	6.8
237.14964	63.2
238.15295	3.0
263.13046	1.7
281.13953	100.0
282.14355	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	13.2
58.06827	2.4
58.68768	2.2
59.01381	3.7
69.03440	4.6
69.09413	5.2
69.09825	13.1
71.01384	2.4
71.05012	2.8
73.02977	4.2
73.78619	2.3
73.80463	1.9
83.05042	6.4
96.95997	2.5
97.02962	14.7
97.06580	4.2
98.22545	5.0
99.04527	82.1
100.04836	2.5
101.02396	2.4
111.04550	2.7
113.02441	4.3
115.66003	2.3
123.08228	2.6
148.53259	2.2
167.10771	4.3
175.14958	17.1
191.14465	2.9
193.16014	4.3
199.65773	2.6
207.13957	4.8
219.13914	41.8
223.65434	2.4
237.14961	84.3
238.15311	3.8
263.12775	14.0
281.13974	100.0
281.17148	4.0
281.24719	2.4
282.14328	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	9.8
60.77502	0.3
70.81712	0.3
71.31557	0.3
71.74030	0.3
76.23767	0.3
77.57040	0.2
83.05011	0.7
93.03474	0.5
107.08678	4.8
121.10239	5.6
121.55148	0.3
137.09731	0.5
141.01994	0.3
165.29901	0.3
171.47519	0.3
173.13379	0.5
175.11316	0.4
191.14427	9.7
192.14729	0.4
201.12895	1.1
219.13918	3.4
235.13412	20.6
235.28603	0.3
236.13802	1.8
237.14940	0.8
263.12918	2.2
281.13965	100.0
282.14301	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12498	0.5
54.54264	0.6
57.03183	0.7
57.03453	10.2
59.01375	1.0
62.49884	0.6
66.85014	0.5
67.13293	0.7
69.03473	0.6
69.30614	1.1
69.31026	2.1
73.02931	1.0
81.03415	0.6
81.21859	0.5
83.05001	0.7
85.02956	1.2
85.13692	0.5
99.04575	0.6
107.08661	4.0
113.02454	1.0
121.10212	4.3
124.57923	0.6
129.94994	0.6
137.09778	1.1
146.71410	0.6
151.48239	0.7
165.83005	0.7
191.14409	8.8
201.12859	1.0
219.13968	4.2
235.13414	19.5
236.13712	1.6
237.14984	2.2
263.12827	2.5
281.13962	100.0
282.14401	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2488
Annotation	Petroselinic acid
Peak:m/z	Relative Intensity
55.39450	1.8
63.29717	1.6
65.00320	1.8
71.27407	2.9
94.82999	1.9
98.71391	1.5
197.91556	1.7
209.63145	1.8
275.10724	1.7
281.24884	100.0
282.25214	7.7
296.07431	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0847
Annotation	Guanosine
Peak:m/z	Relative Intensity
57.03450	0.3
59.01385	1.5
60.01711	0.3
65.99834	0.3
66.00982	0.8
69.75334	0.9
71.01385	0.8
72.01706	0.4
78.00978	0.4
78.95922	0.4
82.04105	1.0
85.02962	0.5
89.02450	0.6
98.22295	0.7
101.00996	0.3
101.02456	0.8
102.98666	0.3
107.03645	4.8
108.02049	9.7
113.02487	0.3
117.00460	0.9
119.03484	0.3
126.03112	5.2
133.01575	31.7
134.01921	0.5
136.54401	0.2
139.07608	0.2
150.04224	100.0
151.02701	0.4
151.04654	1.8
161.04550	0.3
162.04900	0.3
168.22256	0.2
201.02577	0.7
246.94450	0.2
282.08456	28.1
283.01642	0.6
283.08572	1.3
283.26450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86401	0.6
57.03448	1.2
59.01382	28.7
59.14056	0.7
67.03684	0.7
69.30601	4.8
71.01379	0.8
71.85632	0.6
73.02956	1.1
87.00883	100.0
87.14796	0.7
88.01230	1.7
89.02471	0.8
96.96033	0.8
102.98637	0.7
105.70532	0.7
108.02196	3.0
119.05033	2.3
121.02964	3.1
121.06590	3.5
123.04552	4.1
124.01690	1.0
134.03754	0.9
135.04527	9.8
136.05299	10.2
150.03226	1.4
151.04033	3.7
151.07687	4.2
195.06638	68.0
196.07036	2.4
211.04128	0.7
221.08221	5.0
221.15446	0.7
276.84067	0.7
283.08322	13.0
283.11581	0.8
283.12552	1.1
283.15491	5.5
283.26376	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52569	1.2
54.71891	1.1
57.03458	1.4
59.01384	35.0
69.42273	7.2
76.13060	1.3
76.41021	1.1
79.98041	1.2
87.00883	100.0
87.04475	1.4
88.01223	1.7
89.02433	1.7
100.30745	1.2
102.98588	1.5
108.02190	2.6
108.91399	1.2
118.80410	1.3
121.02976	3.9
121.06632	3.7
123.04545	3.4
124.01683	2.0
135.04555	11.2
136.05348	9.5
151.04039	2.5
151.07678	7.2
177.09338	1.2
195.06641	71.2
195.08054	3.3
196.06960	2.0
221.08200	3.7
233.55016	1.2
239.12709	1.1
283.08408	11.1
283.11533	2.2
283.15323	9.0
283.26474	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.7
70.25543	1.0
72.99300	0.5
73.02974	0.7
73.47530	0.3
84.02158	0.8
98.22070	0.7
104.56753	0.3
109.06599	0.7
109.26118	0.3
113.93751	0.3
163.11282	0.6
181.12376	0.8
189.97838	0.3
191.12999	0.3
191.14444	2.0
193.15999	1.1
203.14383	2.5
203.48232	0.3
219.13918	0.8
221.15480	28.4
222.15852	1.5
237.14980	4.8
239.16533	1.2
255.03136	0.3
265.14413	2.2
283.15533	100.0
283.26389	1.1
284.15875	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52841	1.1
55.01873	3.2
57.03454	8.5
59.01105	0.9
59.01381	16.0
67.00642	0.9
69.01814	10.9
71.05023	13.4
72.63034	1.0
73.02953	100.0
83.05045	6.4
85.02962	2.0
85.06584	1.1
91.77966	0.9
97.06646	1.0
113.09699	1.2
127.04034	1.3
137.09737	6.3
160.21088	1.1
179.14471	1.7
203.14392	2.2
209.15242	1.4
218.68642	1.1
221.15552	10.4
223.13412	18.2
224.13792	1.6
239.16550	69.2
240.16904	4.0
255.02873	1.3
265.14487	8.1
283.02237	1.6
283.15543	55.0
283.26453	15.1
284.03131	1.8
284.15936	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1705
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
69.75500	1.5
69.75908	2.0
82.35255	0.6
91.77280	0.6
107.05037	100.0
108.05379	2.3
147.08377	0.6
163.11299	92.5
164.11620	2.9
255.02992	2.3
283.02505	2.8
283.17050	90.8
283.22766	5.3
283.26410	4.2
284.17346	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1917
Annotation	Litseakolide F
Peak:m/z	Relative Intensity
59.01374	4.1
60.70306	1.4
61.98820	1.9
69.21272	7.8
95.04971	1.3
99.09934	1.8
129.65466	1.8
137.09731	61.8
138.10089	2.4
197.90311	2.6
205.15944	3.2
206.88734	1.8
207.17543	20.6
251.16475	12.9
265.18152	3.1
283.07428	2.0
283.19162	100.0
283.26315	19.9
284.19495	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99108	0.3
56.41795	0.3
59.01379	2.6
61.98846	1.9
63.77781	0.3
64.14128	0.4
69.85625	0.7
69.86035	1.3
77.92451	0.3
80.89266	0.3
98.01007	1.0
99.98926	5.2
102.45322	0.4
139.94249	1.2
140.02071	1.3
141.93958	1.2
141.99976	100.0
142.87576	0.9
143.00079	4.8
169.44489	0.4
181.95297	0.8
183.72832	0.4
184.01027	34.7
185.01154	1.9
199.98970	0.7
202.02727	1.4
203.02414	0.4
242.00073	1.4
270.06357	0.4
271.59903	0.4
283.26511	3.6
284.01147	40.4
284.26688	1.1
285.01260	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88732	1.0
59.01372	2.2
65.03941	0.9
66.23592	1.0
68.99518	11.1
69.03453	3.3
71.01380	3.5
72.99317	1.5
73.02949	3.8
74.99378	3.6
78.95910	4.6
79.01904	1.1
81.03468	1.8
83.05030	1.7
88.98846	5.2
88.99310	1.1
89.02450	1.1
93.03469	27.4
95.01396	5.2
97.02968	1.6
99.00887	1.7
99.04527	1.2
106.99963	1.6
109.01489	2.1
109.02966	10.9
110.98528	2.1
111.00885	1.9
111.03017	1.0
111.04514	7.9
112.08132	1.3
122.03738	3.5
125.00953	3.2
127.02543	10.3
128.96817	5.7
133.01468	1.9
137.02458	22.6
142.99898	1.2
149.00964	60.3
150.01131	3.8
151.02536	48.7
152.02669	1.7
153.00449	3.5
155.02011	2.9
155.03520	3.6
165.02234	1.8
167.01993	5.0
169.03564	4.7
173.04561	31.6
177.00461	27.7
177.01971	1.8
178.00629	2.2
179.01999	3.2
180.99959	1.1
182.97845	1.1
195.01448	46.6
196.01651	3.2
205.93823	1.2
212.99129	3.0
213.02547	87.6
214.02753	6.4
231.03609	13.3
243.30124	1.0
285.01044	100.0
286.01196	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0408
Annotation	Kaempferol
Peak:m/z	Relative Intensity
59.01357	0.3
63.02394	1.1
63.22832	0.2
65.00319	0.9
67.01900	0.4
83.01383	1.1
83.07632	0.3
91.01881	0.3
92.07283	0.2
93.03463	2.9
95.01397	0.6
98.21725	0.5
107.01400	1.6
108.02214	0.6
109.02957	1.4
117.03474	0.8
119.01336	0.3
121.02950	0.5
123.00826	0.3
123.04544	0.6
130.04247	0.4
131.04936	0.4
133.02968	0.6
135.00911	0.8
137.02415	0.9
143.05040	1.3
145.02972	0.8
151.00383	1.8
154.04260	1.0
155.05017	1.0
157.02913	0.4
157.06602	0.7
158.03813	0.3
159.04538	1.8
161.02446	0.7
161.06136	0.4
163.00381	0.9
164.01117	0.7
165.02000	0.4
167.05014	0.5
169.01440	0.3
169.06625	1.1
171.04512	1.1
173.02429	0.6
175.59489	0.2
183.04459	0.3
184.05273	0.6
185.06059	2.1
187.04005	1.9
195.04561	0.4
196.05179	0.3
198.03229	0.3
199.04024	0.4
201.05548	0.3
211.04010	1.5
212.04701	0.3
213.05608	1.2
214.02708	0.7
215.03471	0.7
227.03505	0.8
229.05058	1.7
239.03409	1.5
240.04265	0.7
241.05110	0.4
243.02934	0.8
255.03069	0.7
256.03885	0.3
257.04541	1.1
268.03842	0.5
285.04068	100.0
286.04395	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.3
59.01366	0.8
63.02404	2.4
64.23048	0.2
65.00325	2.3
65.03947	0.3
69.03465	0.3
69.92223	0.3
69.92562	0.9
71.01384	0.4
71.05019	0.4
72.13036	0.2
73.02938	0.8
79.01951	0.2
83.01385	2.2
83.05070	0.3
85.02929	0.5
85.06602	0.3
87.04469	0.4
91.01899	0.8
93.03465	4.5
95.01368	0.4
97.06596	0.4
98.22375	0.4
99.04554	0.3
101.06121	0.3
107.01402	4.9
108.02216	0.6
109.02953	1.2
117.03482	1.1
117.78165	0.2
119.01400	0.4
119.05043	0.3
121.02997	0.3
123.00884	0.7
123.04516	0.3
130.04279	0.6
131.05040	1.0
133.02997	1.9
135.00900	1.2
135.04544	0.9
137.02440	0.8
141.07140	0.4
143.05048	2.8
145.02963	1.5
145.06625	0.4
149.02396	0.3
151.00386	5.1
152.01192	0.3
153.01958	0.4
154.04286	0.8
155.05054	0.9
156.05846	0.6
157.02956	0.4
157.06599	1.7
158.03758	0.6
159.04521	3.3
161.02481	0.7
161.06015	0.4
161.32626	0.3
163.00403	2.3
164.01157	1.0
165.01912	0.8
167.05054	1.3
169.01480	1.3
169.06650	1.4
171.04546	1.6
173.02498	0.5
173.06049	0.4
175.04008	0.9
182.03745	0.4
183.04564	1.3
184.05211	0.7
185.06105	4.1
187.04019	4.7
189.05605	0.8
190.99876	0.4
192.00720	0.3
195.04553	1.3
196.05186	0.4
197.06108	1.0
198.03250	0.6
199.04007	1.4
201.05576	1.0
211.04037	2.7
212.04576	1.0
213.05579	2.5
214.02713	1.0
215.03510	0.7
217.05049	0.4
223.04073	0.3
227.03539	3.3
228.03844	3.5
229.05080	10.6
230.05402	0.9
239.03496	2.4
240.04271	1.0
241.05003	2.1
242.02480	0.4
243.02985	1.0
255.03047	1.7
256.03375	6.4
257.04590	6.7
258.04993	0.4
267.02942	0.9
268.03641	0.3
284.03009	0.3
285.04053	100.0
285.17020	4.8
286.04410	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.3
57.94324	2.7
58.00583	5.9
59.01382	96.4
61.88397	2.5
69.38414	5.0
69.38824	9.9
71.01385	55.5
73.02918	3.1
84.64001	2.3
85.02974	5.7
89.02454	100.0
98.18589	2.4
101.02439	21.9
113.02454	23.3
119.03520	31.1
131.03487	3.4
143.03467	4.1
161.04567	6.0
179.05612	15.2
188.90440	2.4
238.17374	2.5
241.11127	3.2
285.04211	4.4
285.17017	16.6
286.17316	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86875	0.2
57.03452	11.2
59.01373	0.4
59.10301	0.2
69.03451	0.5
70.74766	0.3
70.76353	0.5
72.99297	0.3
73.30627	0.3
76.02232	0.2
79.45773	0.2
83.05048	0.3
84.02162	0.5
87.04510	0.6
91.26473	0.2
98.22010	0.3
109.06564	0.2
116.35069	0.3
118.88359	0.3
123.08175	5.6
143.08685	0.3
147.11757	0.3
151.11345	0.3
165.12865	1.8
179.10806	0.3
193.16013	0.3
201.12851	3.2
203.14413	1.7
204.14774	0.3
219.13914	2.7
221.15535	1.4
228.03941	0.3
239.14180	0.5
239.16547	8.3
240.16945	0.4
256.03293	0.6
267.16025	1.2
285.04251	2.1
285.17087	100.0
286.17465	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64080	0.6
53.69732	0.7
57.03453	4.2
58.00577	2.0
59.01384	7.5
62.31223	0.5
63.02394	0.6
65.80298	0.6
69.03461	0.9
69.18668	0.5
69.30289	3.7
71.01385	11.3
71.05013	1.2
72.02145	2.2
72.99290	0.7
73.02949	30.4
81.03436	0.6
83.05018	1.7
85.02952	4.3
87.04521	4.4
89.20113	0.6
95.05074	0.8
97.06605	2.3
98.03715	0.7
99.04523	12.0
101.06132	0.8
103.04015	2.7
107.01395	1.0
109.06561	0.8
111.88614	0.7
123.92226	0.5
127.07665	2.9
141.09258	0.9
151.00365	1.1
153.12932	0.7
159.11751	0.6
162.58757	0.6
165.12843	3.5
177.12889	1.6
181.12370	2.8
187.14883	0.8
193.16019	1.3
195.13937	10.8
207.13950	1.1
209.15515	3.5
223.13284	1.2
239.12837	1.7
241.18080	1.9
242.02100	1.0
246.89537	0.7
257.04736	0.7
270.01691	1.6
285.04083	20.1
285.17084	100.0
286.04333	1.0
286.17404	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.5
58.00593	2.4
59.01384	7.8
60.26904	0.5
60.76022	0.6
62.20558	0.5
69.02967	3.6
69.03390	2.0
69.13204	0.5
71.01385	12.2
71.05021	1.1
72.02167	1.6
72.99299	0.8
73.02954	34.1
81.03487	0.7
83.05013	1.2
84.02206	0.7
85.02958	6.5
87.04533	3.0
95.05059	0.6
97.06598	2.9
98.03757	0.7
98.22691	0.6
99.04532	13.7
103.04028	3.4
109.89857	0.6
114.17646	0.6
121.02994	0.6
125.06071	0.6
127.07701	3.2
141.09302	0.8
163.00401	0.6
165.12865	2.4
167.14471	0.7
177.12889	2.5
181.12347	2.7
186.02409	0.5
187.14954	0.7
193.16010	2.0
195.13901	13.3
196.14183	0.8
207.13943	1.3
209.15483	4.3
223.13506	1.1
229.05121	0.9
239.12965	1.5
241.05043	0.5
241.18198	1.1
267.16049	1.2
285.04099	12.1
285.17148	100.0
286.04617	0.9
286.17545	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86875	0.2
57.03452	11.2
59.01373	0.4
59.10301	0.2
69.03451	0.5
70.74766	0.3
70.76353	0.5
72.99297	0.3
73.30627	0.3
76.02232	0.2
79.45773	0.2
83.05048	0.3
84.02162	0.5
87.04510	0.6
91.26473	0.2
98.22010	0.3
109.06564	0.2
116.35069	0.3
118.88359	0.3
123.08175	5.6
143.08685	0.3
147.11757	0.3
151.11345	0.3
165.12865	1.8
179.10806	0.3
193.16013	0.3
201.12851	3.2
203.14413	1.7
204.14774	0.3
219.13914	2.7
221.15535	1.4
228.03941	0.3
239.14180	0.5
239.16547	8.3
240.16945	0.4
256.03293	0.6
267.16025	1.2
285.04251	2.1
285.17087	100.0
286.17465	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2074
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
59.01365	1.6
69.10530	7.6
86.11763	0.9
92.85304	1.0
199.62862	1.0
202.98740	1.4
209.66428	1.0
217.00429	1.0
223.20685	60.2
224.21022	3.3
240.23167	0.9
240.25690	1.0
241.21851	1.4
267.19647	40.3
268.20035	2.8
285.04123	6.1
285.20746	100.0
286.21036	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2391
Annotation	Prosopinine
Peak:m/z	Relative Intensity
50.19410	0.5
59.01379	1.0
59.86727	0.5
60.86974	0.5
65.65663	0.5
69.02345	6.1
70.02958	0.9
74.06116	1.6
78.95908	0.7
96.05584	0.5
98.21824	1.5
107.47251	0.5
117.07126	1.1
125.02453	0.6
137.02467	0.8
181.01561	1.0
195.35545	0.5
240.23352	2.3
242.21260	2.0
268.22931	1.3
272.07114	0.8
284.22223	0.6
286.04208	0.6
286.23901	100.0
287.09299	1.6
287.16357	0.6
287.24301	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	17.2
59.01363	0.5
63.02406	4.4
65.00330	9.0
68.99789	0.4
69.30491	2.5
81.03463	3.8
83.01398	12.1
83.82783	0.3
84.01729	0.4
93.03449	2.9
95.01409	1.0
107.01402	6.3
107.05042	1.1
108.02193	0.8
109.02956	2.9
111.00893	0.9
115.26883	0.4
117.03457	1.0
119.04976	0.4
121.02985	1.2
123.00911	1.0
123.04523	2.0
124.01669	3.5
125.02458	100.0
126.02782	1.7
130.04213	0.8
131.05066	2.2
133.02960	3.6
134.03751	1.2
135.04520	1.5
137.02446	1.8
139.00388	0.4
143.05095	0.4
145.02934	0.7
145.06691	0.5
149.02473	0.5
149.06117	0.7
151.00378	12.5
152.01161	9.4
153.02000	2.5
155.05006	0.5
156.05818	0.9
157.06606	2.3
158.03786	0.9
159.04539	2.5
161.02518	0.6
165.00754	0.5
165.01950	2.0
169.06598	0.6
171.04512	0.6
172.05341	2.6
173.06091	6.2
175.03986	1.3
177.05580	15.8
178.05916	0.9
178.99872	6.7
181.06523	0.5
184.05370	0.4
185.05882	0.4
187.07690	0.4
188.04402	0.4
197.06090	0.7
199.04013	0.8
199.07680	2.8
200.04787	1.0
201.05577	9.8
203.03525	1.5
207.51253	0.4
213.05597	1.7
214.06284	0.5
215.07144	5.3
219.06534	2.2
225.05646	1.0
231.05490	0.8
241.05078	1.9
243.06641	14.1
243.09149	0.7
244.06940	1.2
259.06122	73.9
260.06442	4.0
269.04620	3.5
287.05637	47.6
287.18359	0.7
288.05933	3.5
297.32840	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	15.6
59.01400	0.4
63.02393	4.4
65.00326	9.7
67.01881	0.8
70.89613	0.4
71.31813	0.7
79.01948	0.3
81.03466	4.0
83.01388	12.6
85.02984	0.4
93.03445	3.5
95.01395	0.9
97.94931	0.4
107.01394	7.4
107.05023	0.7
108.02194	0.5
109.02956	2.5
111.00872	1.3
117.03504	0.6
121.02987	1.2
123.00938	0.7
123.04551	2.0
124.01668	3.3
125.02452	100.0
126.02797	2.0
130.04277	0.6
131.05086	2.2
133.02966	3.7
134.03754	1.7
135.04561	2.3
137.02463	1.1
143.05042	0.5
145.02922	0.8
145.06552	0.9
149.02481	0.4
149.06044	1.0
150.03186	0.4
151.00368	12.4
151.01582	0.7
152.01172	9.5
153.01968	2.4
156.05823	1.4
157.06616	1.7
158.03749	1.0
159.04530	2.0
161.02417	0.6
165.01939	1.3
169.01378	0.6
169.06642	0.8
171.04491	0.7
172.05292	1.9
173.06071	5.5
175.04018	1.4
177.05571	14.9
178.05911	0.5
178.99855	7.3
180.00481	0.6
181.01505	0.4
181.06512	0.5
187.08015	0.4
197.06163	0.7
199.04047	0.6
199.07669	3.3
200.04767	0.9
201.05595	9.7
202.05946	0.5
203.03502	1.2
213.05574	1.6
215.07152	5.5
219.06653	1.9
225.05643	0.5
241.05110	2.1
243.06587	13.7
244.06996	0.9
257.29816	0.4
259.06110	71.4
260.06433	3.3
269.04596	2.8
287.05630	45.3
287.18597	1.4
288.06049	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	8.5
57.33573	2.3
59.08541	2.3
67.01883	2.3
68.99820	2.2
69.03429	3.3
69.41444	13.6
75.60830	2.0
77.03945	2.7
78.29852	2.3
83.01378	18.2
91.35269	1.9
93.03454	8.2
97.02975	3.2
105.03456	2.3
107.05093	6.0
107.65897	1.9
108.02186	4.9
109.02963	44.5
111.00896	2.8
119.05049	4.5
121.02949	31.1
124.01653	13.2
124.62383	2.7
125.02458	75.5
131.04939	2.6
133.02965	4.6
134.03763	2.6
135.04544	10.0
137.02452	78.7
139.03961	2.4
145.02829	2.6
145.06615	6.9
147.04500	12.3
148.05270	5.6
149.02464	34.6
149.06097	6.3
150.03230	15.4
151.00403	2.9
151.03989	11.7
155.04987	2.2
157.06593	3.8
158.03752	5.3
159.04526	28.5
161.02452	26.0
161.05954	2.6
162.03117	3.6
163.04015	3.3
163.67850	2.1
164.01123	11.6
165.01950	29.2
171.04532	5.5
172.05292	11.6
173.06064	23.5
174.03227	10.2
175.04018	62.2
176.04655	6.5
177.01985	10.4
177.05554	15.7
183.04543	10.1
185.06157	4.5
187.07593	2.6
189.05582	16.6
190.06575	2.5
191.07155	8.0
196.05185	2.6
197.06084	5.5
199.04019	8.6
199.07745	2.9
200.04736	4.9
201.01936	3.5
201.05565	51.3
203.03555	19.5
204.04301	4.7
212.37102	2.3
213.05513	5.6
214.06277	2.6
215.03656	3.8
215.07115	15.0
217.05043	19.9
219.06641	25.6
225.05580	13.8
227.03490	5.5
241.05072	8.8
243.02968	6.9
243.06590	24.1
245.04604	10.7
258.05197	11.5
259.06113	74.8
260.06223	4.0
269.04584	14.4
287.05640	100.0
287.14844	3.0
288.05899	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0565
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
57.03457	12.8
57.34008	1.4
65.03944	1.9
69.03432	2.1
69.11852	3.1
69.12249	12.2
83.01395	12.4
86.26258	1.6
93.03464	6.8
95.01383	3.6
97.03004	1.8
107.01412	2.6
108.02181	3.0
109.02967	29.2
111.00909	2.2
121.02967	21.0
124.01677	10.8
125.02455	100.0
126.02798	2.2
131.04947	2.0
133.02927	4.2
135.04524	5.2
137.02458	55.1
138.02815	1.7
145.06540	2.4
147.04498	6.0
148.05292	3.4
149.02460	29.4
149.06102	3.9
150.03244	9.7
151.03987	11.2
155.05060	2.3
157.06683	1.9
158.03781	2.1
159.04546	9.5
161.02449	23.1
162.03163	6.0
163.00360	1.7
163.03983	2.0
164.01183	8.1
165.01936	17.1
169.06712	1.9
172.05292	5.6
173.02394	2.6
173.06071	16.4
174.03218	6.9
175.04013	32.8
176.04718	5.1
177.01949	6.8
177.05571	8.5
182.03732	2.3
183.04547	6.3
187.07658	2.1
189.05591	8.9
191.07173	4.1
197.06111	2.7
199.03998	5.4
200.04781	4.8
201.01964	2.6
201.05576	35.4
203.03539	14.8
204.04228	1.8
213.05443	3.1
215.07140	8.6
217.05103	10.9
219.06602	19.4
222.61436	1.7
224.04840	1.7
225.05505	6.5
227.03568	2.8
241.05061	6.7
243.02931	5.4
243.06654	19.4
245.04552	6.2
258.05316	9.4
259.03360	2.1
259.06113	42.7
260.06424	1.8
269.04636	12.5
287.05624	73.5
287.14957	2.8
287.18536	2.1
288.05893	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0562
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
57.03457	0.6
59.01372	0.8
63.02403	2.2
63.45221	0.4
65.00328	11.2
70.78032	1.2
76.97274	0.4
83.01391	5.4
93.60866	0.5
95.05052	0.4
107.01398	15.8
108.99393	0.5
109.02958	1.6
110.47427	0.4
111.26963	0.4
125.02457	5.1
128.86639	0.4
134.03763	2.0
135.04536	100.0
136.04875	2.6
137.02475	0.9
151.00381	80.0
152.00719	2.5
161.02403	0.6
165.01820	0.7
169.01358	0.7
175.03949	0.5
201.05614	0.5
206.02046	0.6
215.07179	0.5
241.49554	0.5
243.10297	0.9
268.02545	0.4
269.04630	0.8
275.44937	0.4
287.05655	10.6
287.08945	1.1
287.18329	1.7
288.05991	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0777
Annotation	Dianthoside
Peak:m/z	Relative Intensity
55.01878	4.1
56.24951	1.6
56.51492	1.5
57.03446	6.8
59.01378	9.9
69.03454	7.1
71.01385	53.3
71.14822	1.7
71.29373	3.1
72.99305	2.2
73.02958	18.1
80.44668	1.5
81.03442	2.5
83.01402	5.4
83.05040	1.8
85.02952	25.3
87.00888	2.5
89.02464	3.3
93.03471	2.9
95.01402	6.4
97.02955	21.5
99.00890	8.7
101.02454	22.6
109.02946	3.2
113.02466	22.7
125.02457	100.0
126.02773	3.9
127.74602	1.6
129.01974	2.0
133.02882	1.9
137.02457	5.0
140.35291	1.9
143.03564	1.8
154.98059	3.6
159.02992	2.9
161.02493	3.5
161.04596	14.7
166.44098	1.6
167.05437	1.9
185.06145	1.7
198.97118	1.9
215.47925	1.6
219.02957	2.0
225.05609	1.5
243.06497	2.1
259.06085	3.0
266.50470	1.7
287.05392	8.3
287.11340	3.0
287.14920	2.8
287.18710	4.7
288.05829	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	8.9
59.01385	42.2
69.03418	5.0
71.01369	5.4
71.26977	5.6
78.90650	4.1
78.95911	7.0
81.03445	7.0
93.03461	11.7
93.60232	4.4
103.92018	4.8
109.02966	7.2
113.91818	4.6
117.00487	27.7
118.00525	5.1
125.02461	100.0
137.02441	15.4
144.99988	35.9
147.03267	16.4
149.02473	6.5
159.01515	19.1
161.02458	14.0
164.96344	5.3
168.01508	6.9
173.04709	6.6
175.03981	8.0
183.05098	7.5
187.00900	11.9
189.06702	9.2
198.05528	16.7
201.05617	7.8
210.02531	7.3
219.06610	6.6
245.04420	6.0
248.01494	4.8
259.01566	5.5
259.05945	5.9
270.01785	11.4
286.96423	7.9
287.01096	20.3
287.05505	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0928
Annotation	Arizonicanol A
Peak:m/z	Relative Intensity
59.01377	0.5
59.05870	0.4
62.21056	0.3
69.09498	1.3
69.09922	2.0
72.36929	0.4
92.02672	0.4
93.03468	3.9
95.01398	0.8
106.04255	1.7
107.05045	3.1
108.02187	2.6
109.02940	0.6
121.02964	100.0
122.03877	3.7
123.00916	0.6
124.01646	0.9
125.02473	0.6
136.01692	0.6
136.05287	1.2
137.02452	2.9
150.03178	0.4
150.94955	0.4
153.05742	0.4
154.02727	2.5
154.81445	0.3
168.04179	0.5
177.68387	0.4
182.02209	1.0
190.76915	0.3
211.07549	0.5
215.72533	0.3
223.70119	0.3
225.69519	0.3
227.07140	1.0
228.07922	33.1
229.08235	2.1
243.10265	30.0
244.10500	1.8
272.06808	0.4
287.09265	58.9
288.09592	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1867
Annotation	2,3-dicaproin
Peak:m/z	Relative Intensity
56.16258	0.7
56.69057	0.8
57.03452	4.8
58.00613	0.9
59.01372	3.3
67.04453	0.7
68.99130	8.1
68.99446	1.7
69.03463	0.7
71.01384	5.6
71.05036	0.9
73.02953	70.2
83.05017	3.4
85.02964	1.1
87.04520	3.1
97.06591	2.3
101.11328	0.9
104.70248	0.8
109.06604	1.0
111.08183	1.2
115.07666	1.4
115.67901	0.8
125.02435	3.2
125.06075	1.1
125.09756	1.4
145.08719	4.2
153.12859	1.7
155.10796	3.6
157.06609	1.0
159.04427	1.1
163.14986	1.6
165.12761	1.1
167.14415	2.4
169.12428	4.1
173.14551	0.8
179.14322	1.0
191.05621	0.9
195.13905	2.0
197.15504	2.0
209.15555	1.3
213.14981	29.7
215.03613	0.8
227.16537	3.6
241.18066	3.7
243.06609	2.6
243.19682	8.0
287.02011	1.6
287.05505	1.6
287.15170	3.3
287.18658	100.0
288.18973	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2229
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
59.01369	1.4
71.29095	0.7
78.95872	0.8
87.83034	0.6
99.08175	2.1
121.02982	0.8
125.02435	1.0
129.09270	0.8
141.12878	2.0
149.09683	0.6
161.09802	0.6
208.61757	0.6
241.21671	1.0
261.14767	0.8
264.36691	0.7
269.21231	2.4
285.20663	1.8
287.02182	0.7
287.05487	0.9
287.12701	21.6
287.22290	100.0
288.13000	1.2
288.22589	7.5
305.13770	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1609
Annotation	Mesembrine
Peak:m/z	Relative Intensity
57.52971	0.3
59.01374	0.3
74.08450	0.3
81.03461	1.4
92.05067	1.3
93.03455	1.6
107.03757	0.4
108.02200	0.4
108.04565	4.2
109.02967	5.1
121.02936	0.5
121.38463	0.3
124.01649	0.4
134.02493	36.4
135.03300	7.9
136.04056	39.3
137.02496	1.5
137.04384	0.9
148.04070	1.0
149.04803	1.2
176.03546	4.6
177.04248	0.7
189.10831	0.3
190.05112	0.7
204.06551	0.5
288.16074	100.0
289.16376	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.072
Annotation	(-)-Epicatechin
Peak:m/z	Relative Intensity
57.03445	5.2
62.25112	0.4
63.70168	0.4
68.99281	3.8
69.03451	1.4
69.79539	0.5
73.02933	0.9
80.02681	1.1
80.96519	1.6
81.03461	6.0
83.01386	6.8
83.05048	0.5
83.92466	0.4
85.02950	0.5
93.03451	3.5
95.01393	1.9
95.05038	7.9
97.02956	13.4
99.04536	1.3
105.03414	0.8
107.05040	0.6
108.02171	2.6
109.02961	50.7
110.03298	1.4
111.04586	0.6
121.02965	6.1
122.03752	2.9
123.04533	33.9
124.04803	0.5
125.02451	31.9
126.02769	0.8
133.02975	0.8
133.06551	0.5
135.04536	4.2
137.02452	19.7
138.03291	2.3
138.48509	0.5
139.04025	7.3
139.37408	0.5
145.02946	2.7
146.03775	2.8
147.04515	1.5
149.02454	7.8
149.06042	0.7
150.03255	2.5
151.04018	17.5
152.04300	0.6
154.02679	0.6
157.06551	0.8
159.04546	6.1
160.05336	2.3
161.02441	1.9
161.06082	9.1
162.03212	3.3
163.04063	2.8
164.01170	6.4
164.04817	0.5
165.01953	7.2
166.02640	0.9
167.03511	3.6
173.06123	2.1
175.04039	3.5
175.07588	3.4
177.05585	0.8
179.03503	12.6
180.04013	0.6
184.05324	0.8
185.06061	2.1
187.04007	9.0
188.04802	7.7
199.07622	1.8
201.05573	1.9
202.06354	4.2
203.07137	24.6
204.07442	1.4
205.05060	17.2
205.07021	0.6
206.05510	0.8
212.04845	1.3
217.04994	0.7
217.08699	1.4
221.08188	7.8
222.08644	0.7
227.07129	4.4
229.05176	0.7
230.05841	1.6
231.02950	1.3
245.08185	40.7
246.08488	2.3
247.06133	1.9
271.06128	1.9
289.07187	100.0
290.07532	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0719
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03448	5.1
64.69850	0.7
67.07314	0.7
69.03448	1.4
69.34763	3.9
69.35170	2.3
80.02687	0.9
81.03463	5.1
83.01390	4.1
93.03491	1.1
95.01401	1.4
95.05032	6.1
97.02962	10.7
107.40007	0.7
108.02196	1.2
109.02962	41.5
116.85283	0.7
121.02961	4.8
122.03735	2.2
123.04542	29.3
124.04880	0.8
125.02462	25.5
135.04510	3.4
137.02463	17.3
138.03270	1.3
139.04066	5.6
145.02982	2.7
146.03717	1.5
147.04562	0.8
148.54459	0.8
149.02469	6.1
150.03207	2.5
151.04007	13.4
157.06635	1.6
159.04507	4.3
160.05325	3.0
161.06097	7.3
162.03200	1.9
163.04015	1.5
164.01122	3.6
165.01912	5.0
166.02654	1.1
167.03516	1.7
173.06107	1.3
174.03253	0.9
174.06917	0.8
175.03998	2.5
175.07683	3.2
177.05582	1.5
179.03511	9.1
183.36830	0.8
185.05934	1.6
187.04039	6.7
188.04787	4.8
191.60641	0.8
201.05614	1.6
202.06380	2.8
203.07162	17.1
205.05086	12.3
212.04861	1.3
217.08649	1.1
221.08241	5.4
227.07146	2.7
245.08214	31.3
246.08595	1.7
247.06004	1.3
271.06183	0.9
275.69583	0.8
289.07208	100.0
290.07504	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05563	1.0
57.03458	7.8
57.40496	1.0
58.82698	0.9
59.78476	0.9
69.03445	3.0
69.44659	5.7
75.83539	0.9
81.03461	6.3
83.01402	8.6
93.03459	4.2
95.01344	1.0
95.05029	8.3
97.02969	15.9
99.04533	1.5
108.02178	3.5
109.02960	56.2
110.03290	2.0
121.02966	5.8
122.03746	3.7
123.03638	2.1
123.04540	39.2
125.02452	29.6
133.03040	1.0
135.04538	3.6
137.02454	20.0
138.03183	1.7
139.04037	8.9
145.03009	2.1
146.03745	2.4
147.04543	1.4
149.02496	6.8
150.03232	3.1
151.04007	18.6
157.06635	1.2
159.04497	5.8
160.05273	3.3
161.02423	1.3
161.06082	8.1
162.03262	3.0
163.03983	1.8
164.01158	6.6
165.01942	6.3
166.02827	1.1
167.03511	2.7
173.06110	3.3
175.04037	4.4
175.07605	3.4
179.03532	12.9
185.06136	1.5
187.04060	8.5
188.04773	7.1
199.07834	1.6
201.05396	1.0
202.06425	3.3
203.03609	1.1
203.07156	21.9
204.07536	1.5
205.05081	15.7
221.08206	6.1
227.07133	3.6
230.06029	1.7
231.03139	1.7
245.08192	39.1
246.08458	1.4
247.06137	1.6
257.69116	1.1
258.44324	1.0
271.06146	1.3
287.81912	1.0
289.07214	100.0
290.07593	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
56.69717	0.7
57.03455	5.8
69.03439	1.4
69.29095	1.8
69.29510	2.4
73.47974	0.8
78.22443	0.7
81.03472	5.9
83.01382	6.6
93.03464	2.2
95.01414	1.0
95.05051	5.9
97.02955	13.2
99.04520	0.8
108.02174	1.4
109.02958	46.8
110.03342	1.3
121.02961	7.0
121.97363	0.8
122.03751	2.5
123.04534	35.0
124.04864	1.2
125.02460	27.3
133.02998	1.2
135.04524	3.3
137.02448	17.0
138.03285	1.3
139.04025	7.6
145.02965	2.4
146.03763	2.9
147.04472	1.4
149.02469	8.5
150.03242	2.0
151.04018	16.8
159.04506	5.4
160.05284	2.2
161.02509	1.2
161.06084	9.0
162.03247	3.1
163.04033	0.8
164.01161	5.2
165.01939	6.0
166.02614	0.8
167.03502	3.8
173.06143	1.6
174.03207	1.1
175.04012	3.5
175.07660	3.5
177.05544	1.7
179.03490	9.9
185.06094	1.8
187.04010	7.7
188.04781	7.0
199.07759	1.1
201.05615	1.9
202.06366	3.9
203.07135	20.4
205.05063	14.3
212.04803	0.9
217.08685	0.9
221.08183	6.4
227.07185	2.9
231.03043	1.3
238.79326	0.8
245.08182	39.0
246.08485	1.7
247.06061	2.5
271.06201	1.3
289.07199	100.0
290.07587	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0755
Annotation	Chloroxuron
Peak:m/z	Relative Intensity
51.04229	0.2
52.33616	0.2
57.54214	0.3
59.01359	0.9
59.98692	0.2
63.96225	1.0
65.60947	0.3
69.07127	0.8
69.07548	1.3
71.05000	0.9
79.95742	32.1
80.96520	9.9
83.01370	0.3
93.03461	0.5
95.05032	0.6
96.96031	2.2
97.06545	0.3
109.02955	0.9
109.06611	0.4
111.04535	0.3
113.48578	0.2
123.04543	0.5
125.02464	0.6
126.04750	0.3
128.35735	0.3
138.89177	0.3
163.11357	0.3
172.92532	0.3
172.99146	8.6
173.99661	0.3
187.00722	0.5
188.01497	6.4
189.01888	0.3
203.07129	0.5
209.11833	4.0
245.08281	0.9
271.06516	4.4
274.05228	0.5
289.07541	100.0
290.07874	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1813
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
57.03433	0.4
59.01374	1.9
71.01368	0.5
80.02670	1.5
81.03456	0.8
83.05045	0.8
95.05032	1.3
106.04247	1.0
107.05030	0.8
109.06601	9.9
110.06911	0.5
111.08176	2.5
119.05059	0.4
120.05812	0.5
121.06651	0.8
121.10275	0.5
123.08160	1.9
125.02561	0.4
135.08133	0.6
137.09721	1.1
143.10796	2.0
145.06606	4.0
148.02739	0.3
149.09743	1.8
151.11296	1.3
159.08057	0.4
163.11308	0.6
167.10825	2.5
177.12814	0.4
179.10788	1.4
181.12320	0.7
191.14388	0.9
215.14369	0.5
217.16017	0.5
229.16107	0.4
243.17561	0.5
245.19112	6.3
246.19344	0.6
261.18588	0.6
271.17123	1.6
273.15158	0.5
286.19794	0.4
287.16580	3.9
289.18112	100.0
290.18442	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
70.46958	0.6
70.47269	0.4
78.57117	0.4
85.02973	2.3
111.35706	0.5
117.03469	5.2
119.05037	100.0
120.05376	3.3
145.02969	19.2
146.03246	0.7
163.04025	89.4
164.04362	2.9
195.89742	0.4
269.78320	0.5
273.07684	0.9
291.05811	0.5
291.08774	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.3
60.18994	0.3
60.65451	0.3
71.29689	0.4
79.95741	0.7
80.96523	2.5
85.02959	1.4
87.00880	0.3
93.03481	0.6
93.43823	0.3
95.01402	1.0
96.96002	0.7
106.87503	0.2
109.02972	0.6
117.03477	2.5
119.05036	100.0
120.05356	3.1
121.02990	0.7
123.04484	0.3
125.02446	0.4
133.02982	0.5
137.02499	0.3
145.01831	0.1
145.02954	5.9
163.04021	78.4
164.04349	2.8
175.04045	0.3
203.11121	0.7
209.04578	0.4
273.07620	0.7
291.05426	0.5
291.08823	7.6
291.12320	0.4
307.82574	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61313	0.2
55.05362	0.2
63.96240	0.9
69.58583	0.7
69.58996	0.6
79.95361	0.6
79.95740	27.6
80.96523	41.4
81.03502	0.3
85.16759	0.2
85.80707	0.2
95.05048	0.6
103.78383	0.3
109.02983	0.4
109.06630	0.4
110.03341	0.3
111.04498	0.5
119.05024	0.7
125.02478	0.3
163.04033	0.8
172.99136	8.9
187.00694	0.4
188.01495	7.1
261.23248	0.3
273.08026	0.8
276.06732	1.0
289.07288	0.3
291.09100	100.0
292.09415	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59835	0.2
59.01372	0.2
60.97493	0.5
69.30849	0.4
69.31260	0.5
74.99077	1.5
93.00130	0.5
98.21828	0.3
119.05028	0.6
134.99413	0.3
136.97333	0.1
143.05376	0.2
148.99898	0.2
149.00978	2.4
150.98920	0.3
161.06419	1.0
161.85284	0.1
163.04021	0.6
192.98148	1.6
206.99666	0.5
209.01289	4.1
212.42010	0.1
217.07225	1.6
225.00797	0.7
247.02612	0.1
247.16960	0.1
273.18610	0.1
275.06027	0.8
289.07553	3.2
290.07700	0.2
291.09125	100.0
291.19644	2.0
292.09225	9.1
296.62979	0.1
309.10159	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1089
Annotation	Itoside L
Peak:m/z	Relative Intensity
55.01871	5.1
57.03451	5.0
58.00589	4.2
58.79388	1.6
59.01384	100.0
65.78590	1.7
67.05533	3.4
69.09141	10.0
69.09550	5.3
70.97623	1.7
71.01387	90.9
72.99327	5.1
73.02946	20.1
73.15722	1.5
83.01391	11.5
85.02959	34.9
87.00878	4.1
89.02451	61.2
90.02831	2.2
93.43098	1.8
95.01427	4.1
97.02934	1.9
99.00893	8.4
100.91123	1.5
101.02454	59.3
111.04530	5.8
113.02453	34.0
117.03528	2.0
119.03532	24.1
119.05033	28.6
120.05363	3.8
129.05580	5.2
131.03603	2.3
139.85155	1.8
143.03551	3.6
145.02922	8.6
146.08264	2.0
159.02972	4.3
161.04594	14.4
163.04030	25.8
163.93890	1.9
164.04335	2.9
198.31537	2.0
247.11838	12.4
250.82660	2.0
291.10941	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1605
Annotation	Lasiodiplodin
Peak:m/z	Relative Intensity
57.71298	0.5
59.01381	0.9
69.03084	3.7
69.91479	0.5
77.03968	1.0
77.65276	0.5
89.03987	0.6
95.05045	2.5
105.02759	0.6
105.03472	11.7
116.20409	0.5
119.05002	0.9
121.02961	2.2
123.04583	1.2
132.02209	1.8
133.02971	100.0
134.03841	6.1
137.02437	3.6
139.04062	0.6
147.04533	1.3
149.02444	1.2
149.06064	0.9
151.04034	0.9
152.04942	0.5
160.01675	3.8
175.04024	2.0
177.01939	26.4
178.02721	6.0
193.05048	4.8
209.04608	0.9
215.95148	0.5
276.13690	74.3
277.14026	4.6
291.09061	1.7
291.16061	84.1
292.16446	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1816
Annotation	1-Octyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.19170	0.4
53.94227	0.5
55.01881	10.5
57.03448	6.9
58.00607	2.4
59.01384	59.9
68.99798	0.5
69.03474	1.3
71.01388	77.8
72.99316	5.0
73.02952	35.1
73.54214	0.4
74.27097	0.5
75.00868	2.1
83.01393	22.1
84.02174	0.8
85.02958	45.7
86.00110	3.9
86.03255	0.5
87.00908	3.5
89.02448	9.1
89.02972	0.8
89.12151	0.5
95.01393	5.5
97.02972	2.1
99.00888	15.6
100.01240	0.6
101.02452	100.0
101.92400	0.5
102.02825	1.7
111.00910	2.7
113.02462	34.6
114.02794	0.6
115.03979	0.6
119.03489	2.1
119.05051	0.8
125.02467	1.9
127.11306	1.8
129.01939	3.0
129.12918	0.9
131.03517	1.1
143.03508	3.6
145.03003	0.6
159.03014	6.9
161.04568	21.4
162.04907	0.7
163.04022	0.7
171.13911	0.6
173.11832	0.7
194.00488	0.5
199.13289	1.1
205.03571	1.2
291.18152	20.1
292.18460	1.2
299.19992	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33450	0.6
57.00003	0.6
57.03434	1.1
59.01367	2.2
61.33958	0.6
69.03453	0.6
69.63775	4.2
71.05026	14.0
83.05025	0.6
86.87595	0.6
96.44360	0.5
97.06599	4.5
111.08173	0.9
119.08665	2.0
119.22045	0.7
121.02926	0.6
121.10252	6.1
123.08147	1.8
125.09724	3.5
150.00533	0.7
165.12903	1.0
171.10265	1.5
177.42534	0.7
185.11848	7.7
193.59872	0.6
195.13901	0.7
197.11823	1.7
207.13937	1.9
209.11829	0.9
211.13380	0.8
217.15723	0.6
217.76846	0.7
219.13980	1.3
223.13405	0.9
229.19644	1.3
235.17006	1.8
247.20695	3.0
273.18652	3.7
289.18167	0.6
291.19678	100.0
292.19965	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1969
Annotation	12-OPDA
Peak:m/z	Relative Intensity
59.01379	0.7
65.97050	0.2
70.41398	0.4
70.41728	0.7
70.67210	0.3
70.99095	0.3
72.84547	0.3
79.09002	0.3
80.02701	0.4
95.05062	0.3
100.46201	0.3
119.05022	0.8
119.96282	0.3
121.02945	0.4
123.73020	0.3
125.06120	0.5
148.08929	1.3
150.10544	1.4
151.11310	0.7
163.11308	1.0
165.12857	24.1
166.13206	1.0
168.96205	0.3
175.11302	0.6
176.12042	0.7
177.12790	0.6
189.12903	0.4
191.14384	0.7
192.19150	0.3
202.10020	0.3
217.16022	0.3
245.19124	0.4
247.20685	11.6
248.20911	0.8
273.15790	0.6
273.18613	6.8
274.18774	0.5
291.19681	100.0
292.20044	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1968
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
54.83042	0.4
57.03434	1.9
63.83913	0.5
77.12589	0.5
93.07100	1.6
97.06600	1.7
98.21711	0.8
121.10243	15.4
122.10554	0.5
123.08149	1.4
125.09736	8.3
141.12845	1.1
147.08139	1.0
163.11209	0.5
165.12810	0.6
185.11852	17.4
186.12141	1.1
197.11850	4.2
209.11885	2.1
211.13399	2.1
223.13397	1.7
247.20689	1.3
273.18661	2.3
291.19675	100.0
292.20029	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	12-OPDA
Peak:m/z	Relative Intensity
57.51415	0.3
59.01374	0.7
71.01371	0.3
71.05027	0.4
71.31245	0.5
97.06604	0.7
101.42457	0.3
119.05025	2.6
145.02959	0.4
148.08946	1.4
150.10487	1.2
151.11279	0.4
163.04013	1.8
163.11275	1.0
165.12859	23.5
166.13203	1.1
168.72832	0.3
175.11270	0.7
176.12041	0.5
179.14455	0.4
191.14401	0.7
217.16022	0.7
241.60417	0.4
247.20685	11.4
248.20955	0.8
254.30992	0.3
273.15805	0.5
273.18634	6.7
291.19666	100.0
292.20023	7.5
292.23129	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.7
59.01381	4.8
64.02161	0.8
69.61649	1.8
69.62045	1.7
71.05038	1.0
71.72134	0.8
73.26152	1.0
83.05003	1.1
88.21557	0.8
95.05019	1.5
106.35719	0.8
111.08163	12.6
121.02935	2.3
151.57542	0.8
163.11235	0.8
163.78214	0.8
167.10838	1.3
172.48363	0.8
177.12851	2.4
179.10718	2.8
195.13907	6.0
209.04608	1.6
247.20639	3.0
273.18637	2.0
291.19666	100.0
292.19995	6.8
299.13690	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.2
57.03453	10.8
57.49863	0.6
59.01385	8.1
68.99835	0.9
71.01389	7.7
71.30621	1.3
72.99316	3.4
73.02936	0.7
83.01375	2.0
84.02170	3.0
84.46351	0.6
85.02956	100.0
86.03291	1.7
89.02449	5.8
101.02443	1.8
103.00406	0.6
107.04951	0.6
109.02956	2.1
111.00907	0.6
113.02450	2.4
117.03474	10.6
119.05038	4.6
121.06533	0.6
123.04580	0.6
125.02422	1.3
133.02963	0.6
134.03629	0.6
135.04549	2.7
137.02415	0.7
145.02966	44.6
146.03329	1.7
147.03009	43.1
148.03413	1.3
149.06078	1.0
154.18942	0.6
158.75615	0.5
159.04555	0.8
161.02438	0.8
161.06007	0.6
163.04004	4.4
171.04564	0.7
175.04031	0.6
177.05579	1.0
187.04039	0.7
187.07652	0.8
189.05563	2.3
191.03519	1.2
203.07149	1.0
205.05016	0.8
212.15370	0.5
221.08218	0.7
231.06659	2.2
232.42656	0.5
233.04358	0.6
249.07718	2.2
249.11301	0.9
270.67795	0.5
292.09924	0.5
293.06671	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0881
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
54.79148	1.7
57.03435	3.3
58.00609	5.2
59.01381	100.0
62.56663	1.7
69.03456	5.6
69.19660	5.8
69.20083	9.0
71.01389	90.3
72.99308	6.2
73.02950	6.7
81.03471	3.2
83.01395	4.5
85.02956	11.0
87.00897	4.5
89.02449	81.0
96.95997	2.9
97.02978	8.0
99.00893	2.0
99.24107	2.0
101.02454	12.8
106.57911	2.0
111.00888	2.7
113.02479	11.9
119.03531	1.9
119.61999	1.9
125.02464	15.1
131.03503	12.4
134.03770	14.9
135.04529	4.2
149.04590	9.3
156.73677	1.8
219.23448	2.1
293.10272	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79148	1.7
57.03435	3.3
58.00609	5.2
59.01381	100.0
62.56663	1.7
69.03456	5.6
69.19660	5.8
69.20083	9.0
71.01389	90.3
72.99308	6.2
73.02950	6.7
81.03471	3.2
83.01395	4.5
85.02956	11.0
87.00897	4.5
89.02449	81.0
96.95997	2.9
97.02978	8.0
99.00893	2.0
99.24107	2.0
101.02454	12.8
106.57911	2.0
111.00888	2.7
113.02479	11.9
119.03531	1.9
119.61999	1.9
125.02464	15.1
131.03503	12.4
134.03770	14.9
135.04529	4.2
149.04590	9.3
156.73677	1.8
219.23448	2.1
293.10272	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0882
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
50.13409	1.6
52.49262	1.8
54.67317	2.1
55.01868	2.6
58.00595	5.0
59.01384	81.6
69.03471	10.1
69.12196	15.5
71.01389	100.0
72.85073	1.8
72.99297	5.1
73.02959	9.5
74.96654	1.7
75.00883	2.7
77.31187	1.9
77.65805	1.8
79.95750	5.2
80.96524	62.3
81.03473	5.5
83.01405	7.7
85.02956	12.3
87.00893	2.6
89.02453	97.6
94.16913	1.6
94.98071	2.0
95.01431	4.2
97.02953	15.2
99.00888	13.9
99.04514	1.9
101.02454	10.0
109.03015	2.4
113.02479	6.1
115.04029	7.0
119.05028	4.3
123.00886	1.9
125.02454	38.8
127.03964	2.1
131.03497	6.6
143.03514	2.7
149.04597	5.0
163.04030	2.4
164.04422	1.8
190.02693	2.1
191.05640	2.9
233.06607	17.8
273.52930	2.1
293.06952	33.8
293.10007	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0881
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
50.41017	2.5
59.01387	51.8
67.77243	2.7
68.09785	2.8
71.01390	55.8
72.99313	2.3
73.02940	8.3
81.03474	2.7
83.01371	2.8
85.02979	15.8
86.30282	2.5
89.02456	100.0
95.01403	4.5
97.02967	3.1
99.00901	4.2
101.02465	11.4
113.02464	27.5
120.39108	2.7
125.02424	4.2
131.03519	5.5
143.03561	2.4
149.04601	19.4
161.04456	3.8
182.24159	2.4
191.96265	2.7
194.88849	2.9
203.07330	2.5
217.12346	2.6
293.08179	3.0
293.13998	9.5
293.21414	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.0
57.03440	2.4
58.00589	3.6
59.01383	100.0
69.59031	6.1
71.01383	67.3
72.99308	4.2
73.02952	32.6
73.03369	1.1
83.01387	7.8
85.02956	23.4
87.00871	3.3
89.02451	45.0
95.01412	5.4
98.22015	2.9
99.00886	6.3
99.08954	1.0
101.02449	39.6
103.04040	6.1
113.02461	30.7
119.03510	15.3
125.00930	2.9
129.01866	1.0
131.03511	38.7
131.04500	2.3
136.93962	1.6
136.94904	1.0
141.00496	1.6
143.03511	2.1
149.04643	1.4
159.03008	1.7
161.04576	11.8
173.04538	6.1
176.02412	1.0
176.18323	0.9
179.05579	1.5
183.01488	1.4
191.05626	1.1
208.97923	13.8
209.98135	1.0
215.05614	1.3
217.75674	1.0
225.00926	1.1
226.98994	3.4
247.08421	1.0
250.14398	1.1
250.99007	19.4
251.99126	2.8
258.18152	1.1
265.82623	1.1
267.02106	1.3
293.00073	25.9
293.08820	72.9
293.12250	3.5
294.00278	4.2
294.09201	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03461	0.9
58.00582	1.6
59.01384	48.0
63.97299	0.8
66.32426	0.9
69.33734	5.6
71.01388	25.0
72.99301	1.9
73.02940	2.0
75.00858	0.8
75.01276	0.7
78.72749	0.8
83.01379	2.3
85.02956	9.3
85.06597	20.8
87.00867	0.8
89.02455	24.7
95.01386	1.7
99.00822	0.8
101.02452	15.2
113.02440	10.6
113.06095	3.2
115.07664	2.1
119.03522	10.4
127.07666	2.4
129.05638	0.7
131.07150	74.4
132.07491	1.7
145.02966	1.7
147.03065	1.4
147.10626	0.7
173.08229	2.5
179.05605	0.8
293.12439	100.0
294.12842	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99240	0.7
51.15844	0.7
55.01862	0.9
57.03427	0.7
58.00598	1.3
59.01381	45.5
63.68387	0.7
68.80341	0.8
69.60622	4.1
71.01389	20.0
72.99303	2.2
77.06638	0.8
83.01385	1.8
85.02936	7.1
85.06590	15.3
85.47343	0.7
87.00906	0.9
89.02448	23.9
95.01405	1.8
99.00885	1.4
100.00415	1.8
101.02444	14.3
113.02476	9.5
113.06078	6.4
115.07648	1.7
119.03506	9.7
119.05011	0.8
127.07624	2.1
128.19649	0.7
131.07146	65.3
132.07510	1.4
144.03056	1.0
145.02921	1.1
147.02982	0.9
148.06282	1.4
161.04529	1.2
162.93173	0.8
173.08183	1.3
179.05521	1.1
293.12433	100.0
294.12869	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11357	0.3
62.02837	0.3
68.71036	0.3
70.17703	0.5
70.18076	0.6
71.01389	8.0
73.02930	0.4
86.95473	0.3
124.82435	0.3
126.80069	0.3
127.07659	0.9
147.15471	0.3
148.05301	1.4
160.90822	0.3
164.08376	1.4
165.09158	0.4
177.09219	5.5
190.10049	0.4
192.11584	7.3
193.12112	0.4
205.12344	7.7
206.12830	0.3
207.13910	1.5
217.08705	0.9
218.09489	2.0
219.09906	0.3
220.14696	51.4
221.15466	100.0
222.15800	5.9
235.13376	1.0
236.10544	71.9
237.10915	4.4
293.17578	6.1
294.17853	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.3
61.98820	7.2
62.05822	1.1
64.27824	1.1
69.06930	5.8
69.07355	3.7
71.01376	3.5
83.05042	1.2
92.31223	1.3
93.07234	1.1
96.96004	1.4
98.22598	1.6
109.86357	1.3
121.02946	2.4
136.08961	6.0
151.11238	3.2
152.91774	3.1
177.09200	1.2
192.11539	6.4
193.15973	11.5
194.92784	2.1
197.11844	26.6
205.12318	2.0
220.14696	11.3
221.15474	23.8
235.13322	1.3
236.10576	14.3
249.18623	5.2
275.20166	16.3
276.20493	2.1
293.17801	9.9
293.21219	100.0
294.21518	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10312	0.8
50.83821	0.8
57.03451	5.2
59.01392	3.8
61.98820	1.8
63.75238	0.7
69.10285	1.8
69.10688	4.0
71.05010	3.2
97.06592	1.1
104.56664	0.8
113.09741	13.9
121.03019	0.9
139.11292	1.2
167.10791	0.9
179.10696	0.8
192.11380	0.9
193.15950	1.4
195.13849	1.0
205.12430	0.8
209.15474	1.0
211.01004	1.5
220.14610	2.0
221.15450	4.0
223.16997	2.8
231.21121	1.1
235.17072	21.4
236.10492	2.2
236.17372	0.8
249.22217	0.9
265.56601	0.7
275.20178	21.0
276.20541	1.3
293.08942	44.6
293.21246	100.0
294.09039	4.0
294.21524	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.3
61.98820	7.2
62.05822	1.1
64.27824	1.1
69.06930	5.8
69.07355	3.7
71.01376	3.5
83.05042	1.2
92.31223	1.3
93.07234	1.1
96.96004	1.4
98.22598	1.6
109.86357	1.3
121.02946	2.4
136.08961	6.0
151.11238	3.2
152.91774	3.1
177.09200	1.2
192.11539	6.4
193.15973	11.5
194.92784	2.1
197.11844	26.6
205.12318	2.0
220.14696	11.3
221.15474	23.8
235.13322	1.3
236.10576	14.3
249.18623	5.2
275.20166	16.3
276.20493	2.1
293.17801	9.9
293.21219	100.0
294.21518	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
59.01361	1.0
69.54720	0.7
72.90498	0.9
81.33390	1.0
94.17190	1.0
111.08177	1.7
113.09795	1.0
133.55640	1.0
179.14441	2.7
193.16000	1.0
195.13898	15.8
196.14532	1.7
205.12428	1.6
223.13400	13.1
224.13898	1.3
228.13707	2.2
229.33495	0.9
256.13077	4.4
265.21616	1.3
275.20166	10.6
293.21249	100.0
294.21591	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
51.09486	1.5
59.01380	4.3
60.10282	1.9
87.90715	1.8
109.51345	1.9
121.10245	63.0
154.35129	1.7
171.10283	88.4
172.10593	4.5
183.13921	3.1
185.11838	5.3
197.11760	2.4
221.15466	2.0
231.21210	2.9
275.20172	100.0
276.20499	7.3
293.21249	69.2
294.21606	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00390	0.5
57.03452	5.2
59.01382	2.7
69.76885	2.1
71.01361	0.4
97.06618	1.0
98.22517	0.5
113.09739	21.2
114.10046	0.9
121.10262	0.5
125.09708	0.7
135.11833	0.4
139.11288	2.5
142.44473	0.4
149.09760	1.2
164.26003	0.4
167.10782	2.0
171.10272	1.0
177.12842	1.2
179.10794	2.3
185.11795	0.6
195.13927	3.3
249.22198	1.8
275.20230	2.6
293.21259	100.0
294.21582	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02561	0.6
54.80585	0.6
57.03434	1.4
60.45768	0.7
70.23264	0.7
74.25729	0.6
97.06607	0.9
100.91495	0.6
117.88509	0.7
123.08186	1.2
125.09731	5.0
136.96552	0.7
141.12865	1.1
144.44531	0.8
149.09706	1.4
162.01289	0.7
185.11853	9.4
192.11276	0.6
197.11882	2.4
249.22261	1.3
282.72983	0.6
293.21252	100.0
294.21521	7.9
302.82513	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25159	0.7
59.01376	1.0
63.18421	0.6
66.65563	0.7
66.82622	0.7
69.86932	0.6
71.01381	1.6
71.31554	1.3
72.99305	0.9
109.53374	0.7
113.09721	1.3
133.49394	0.7
136.08907	1.3
139.11293	2.8
145.98621	0.8
153.12872	2.1
177.09273	1.2
191.18016	3.2
192.11633	1.4
193.15947	2.4
220.14722	3.4
221.15471	8.0
229.19656	0.7
236.10544	5.0
245.19148	0.8
247.20699	1.5
267.84253	0.7
272.31613	0.6
275.20132	0.7
293.21240	100.0
294.21555	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
50.19699	0.9
50.25378	0.9
57.03439	1.7
59.01369	2.5
71.01400	1.8
72.06190	1.0
75.34111	1.1
78.13625	1.1
113.09743	2.3
121.10251	7.6
136.08943	1.3
170.71559	1.3
171.10277	10.8
182.72398	1.3
192.11638	1.5
193.16043	3.0
195.13887	12.3
204.54567	1.1
205.12433	2.2
220.14702	4.2
221.15453	9.6
223.13480	7.7
228.13737	1.3
236.10565	6.9
249.18529	1.5
256.13129	2.8
275.20200	23.7
293.18100	3.7
293.21237	100.0
294.21594	7.3
299.68341	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
57.03447	5.6
58.05991	0.7
59.01380	4.6
61.98819	2.2
69.90050	0.8
70.17366	1.5
70.17693	1.7
71.01377	2.0
95.05051	0.8
97.06602	0.8
103.44293	0.7
113.09735	20.5
138.55089	0.7
139.11293	2.4
149.09729	1.4
152.91742	0.8
167.10796	2.5
177.09180	1.0
177.12842	1.1
179.10820	2.0
192.11571	1.1
195.13875	3.3
205.12277	0.9
220.14679	7.9
221.15472	12.3
236.10582	8.4
237.11008	0.9
243.43810	0.8
249.22244	2.4
275.20279	1.1
293.21231	100.0
294.21576	8.1
309.93076	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	2.2
69.56252	4.1
70.62420	1.0
71.05013	2.4
78.35114	1.0
79.90346	1.0
80.20393	1.2
90.00419	1.1
115.93758	1.3
125.09728	6.2
141.12843	1.9
149.09734	2.1
185.11852	9.4
193.15891	2.0
197.11850	2.5
220.14630	4.5
221.15480	6.0
236.10532	5.5
237.22214	10.8
249.18607	1.8
249.22289	1.6
265.21814	1.2
275.20279	1.2
293.21240	100.0
294.21567	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0459
Annotation	trans-coutaric acid
Peak:m/z	Relative Intensity
57.03429	1.0
59.01385	6.9
71.01388	1.6
80.96506	2.5
83.05036	15.5
87.00891	8.5
93.03471	1.8
98.21748	2.2
103.00365	3.1
112.98791	6.5
119.05039	60.2
120.05373	1.9
122.03752	1.1
130.99973	0.8
133.06633	1.0
149.00925	3.1
161.09744	1.4
163.04024	100.0
164.04347	2.9
178.13162	0.9
181.68471	0.8
188.08418	1.2
193.38135	0.8
195.96565	0.9
203.10803	7.0
209.01274	1.1
221.11894	1.0
233.11772	1.2
277.03857	3.3
295.05185	2.0
295.11789	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99812	0.9
57.03440	2.2
58.00589	3.7
59.01385	80.3
60.16883	0.9
70.45637	1.1
70.45960	2.4
71.01387	41.2
71.05040	1.0
72.01695	1.2
72.30219	0.9
72.99304	3.6
73.02942	1.6
75.00877	4.1
83.01382	1.2
85.02963	9.3
87.00880	1.6
87.04510	1.3
89.02457	50.4
95.01389	2.8
101.02451	27.0
102.02720	1.0
113.01734	1.7
113.02468	18.9
115.04045	6.0
119.03525	23.5
133.05107	9.3
143.03482	1.9
161.04541	2.7
179.05620	2.7
202.31221	1.0
213.58493	0.9
237.06158	1.6
284.20718	1.0
295.10349	100.0
296.10617	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19495	0.8
55.01874	2.1
57.03443	1.8
58.00589	3.7
59.01383	92.9
60.01692	0.9
71.01388	44.3
72.99300	2.9
73.02937	2.4
80.74739	0.7
83.01380	1.9
83.05050	1.0
85.02956	9.9
87.00880	2.7
89.02452	55.1
90.02746	0.8
95.01401	3.3
97.02985	0.8
101.02451	32.0
113.02465	19.2
119.03510	25.6
131.03491	1.7
133.05051	2.5
143.03546	1.6
145.89551	0.8
149.04524	1.7
161.04550	3.1
177.40269	0.8
179.05617	3.7
189.05595	1.0
192.56766	0.8
205.12389	0.9
229.23027	0.9
245.84140	1.0
282.10110	0.9
295.10355	100.0
296.10645	4.5
316.07077	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03432	2.0
58.00594	0.7
59.01384	40.7
69.03426	0.6
71.01389	22.0
71.05012	0.7
71.29290	0.8
72.99299	2.8
73.02934	2.4
75.00877	20.6
78.95901	1.1
79.97548	0.6
83.01375	2.2
83.05002	0.9
85.02483	0.8
85.02961	9.1
87.00875	1.4
87.04518	5.7
89.02453	23.1
93.03516	0.8
95.01411	1.1
97.02889	0.7
98.95597	1.2
99.00871	1.5
101.02451	14.4
109.97572	0.7
113.02460	7.8
115.00391	2.5
115.04024	15.0
119.03529	9.1
120.99665	2.1
131.03474	1.4
133.05086	26.5
138.93723	1.4
141.04318	0.6
175.06125	1.0
179.05554	1.2
186.73221	0.7
203.10851	0.8
207.03389	1.1
237.06180	11.8
295.10352	100.0
296.10641	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1189
Annotation	Amotin
Peak:m/z	Relative Intensity
55.01877	2.6
57.03449	9.6
59.01366	4.6
62.76266	1.7
69.03442	6.5
69.40277	1.8
71.01381	5.4
73.02943	6.3
80.96498	7.2
83.05034	8.2
85.02953	9.5
85.06601	1.8
87.00858	2.0
90.39468	1.6
93.03436	2.7
95.05028	27.6
98.03725	2.7
102.59973	1.6
104.32854	1.5
109.02955	4.1
109.06597	7.7
111.04533	23.6
111.08172	5.1
113.02464	2.9
113.05392	2.2
113.06108	29.3
115.04019	6.1
121.06619	9.4
122.03747	4.1
123.08165	6.2
124.05278	2.0
132.81160	1.7
133.06602	2.9
134.07419	1.6
135.04486	1.6
137.02414	1.8
137.06129	8.4
137.07027	1.6
137.09700	6.1
139.07661	9.1
149.06078	2.7
149.09744	13.2
151.07628	3.7
155.07146	2.9
157.06566	2.0
161.04588	3.2
163.11263	4.1
165.09245	7.8
169.12331	2.0
171.11765	10.2
173.09680	2.6
174.10455	2.0
189.12865	98.5
190.13200	5.0
207.14018	8.7
215.10747	1.8
233.11798	4.2
251.12897	100.0
252.13112	4.0
272.03821	1.9
293.55426	1.6
295.02661	1.8
295.08670	5.3
295.11844	65.4
295.15228	3.8
296.12073	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06881	1.5
59.01384	100.0
71.01395	3.8
101.02463	2.2
151.94987	1.5
161.06088	3.0
173.85680	1.8
176.70834	2.0
177.87195	1.8
189.12859	1.7
235.11923	3.4
251.12837	2.4
295.05612	2.0
295.12360	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.8
57.03437	4.8
58.00591	4.6
59.01383	100.0
66.63188	1.4
69.03470	1.5
71.01387	92.3
71.05465	2.8
72.99313	5.7
73.02950	14.7
75.00862	4.0
78.95912	4.4
83.00942	1.4
83.01382	8.8
83.05030	5.2
84.93677	1.3
85.02959	31.1
87.00887	8.7
87.04521	3.4
89.02453	73.3
94.95714	2.4
95.01385	5.0
97.02943	1.7
99.00884	7.4
99.04508	2.6
99.98884	1.4
101.02449	62.7
101.03124	3.1
108.97338	1.6
111.00896	2.1
111.02028	1.9
111.04541	1.9
113.02458	36.4
115.04033	3.7
117.00461	1.7
119.03513	28.7
120.95478	7.3
122.80105	1.3
125.02440	2.8
126.98826	3.5
129.00467	1.5
131.02031	1.9
131.03516	2.8
133.05077	39.0
133.08711	8.3
136.94008	5.3
138.93697	1.8
141.29437	1.3
143.03505	6.1
150.96497	3.1
152.93639	4.2
153.96362	3.1
154.98402	2.8
156.99930	6.7
159.02972	5.9
161.04572	26.0
167.02084	1.5
179.05659	7.1
203.10860	1.5
210.97743	1.9
211.02080	1.4
226.98938	1.8
234.94046	1.3
234.98610	1.9
241.00536	2.6
242.00232	1.8
252.98866	2.1
268.99472	5.7
294.97092	12.8
295.00266	2.5
295.04379	3.5
295.10361	31.8
295.13974	32.3
295.97556	2.1
296.10965	2.5
296.14264	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
56.86373	0.8
57.03445	2.9
59.01374	1.4
61.98845	1.0
69.09708	5.6
84.34682	0.9
85.75596	0.9
91.81645	0.7
95.06690	0.8
137.09718	1.1
139.07629	0.9
144.79494	0.8
152.09904	0.8
155.14442	3.6
171.10291	28.4
179.73282	0.9
183.10233	1.7
195.13953	2.0
251.23737	1.6
277.21735	35.6
278.22052	2.7
295.22806	100.0
296.23145	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03415	0.7
59.01378	1.9
99.08147	0.9
110.55844	0.7
125.09748	1.3
138.24843	0.7
144.89912	0.8
155.44450	0.6
156.51349	0.7
171.10287	36.2
172.10707	1.0
195.13884	3.7
277.21753	47.8
278.22061	2.7
295.22797	100.0
296.23093	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
58.03619	0.5
59.01373	2.2
62.87429	0.6
68.46909	0.5
70.95232	0.5
71.32059	0.7
76.51557	0.5
76.52825	0.5
81.15686	0.5
83.18013	0.5
177.47249	0.5
248.03664	0.5
265.21780	1.4
277.21753	4.4
285.80203	0.5
293.20996	0.8
294.98584	0.6
295.22800	100.0
296.23145	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2282
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
53.54898	1.9
57.22254	1.5
94.85421	1.8
98.22539	4.8
141.12892	9.5
155.14401	2.5
229.04013	2.0
249.22282	9.1
295.22806	100.0
296.23114	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03446	2.6
59.01371	2.4
61.98814	5.5
62.92110	1.7
69.69308	7.7
75.93423	1.8
94.92480	2.1
98.22500	3.2
99.69689	2.0
105.26231	2.0
134.48569	2.0
141.12874	2.1
171.10283	30.8
195.13867	3.2
245.76973	2.1
251.06046	3.5
261.18503	1.9
277.18112	21.3
277.21707	44.6
278.22015	3.5
279.09073	8.5
280.09241	2.7
295.08710	3.8
295.19186	23.8
295.22733	100.0
296.19733	2.5
296.23105	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
50.86475	0.7
57.03455	0.7
59.01363	2.4
69.07421	7.3
77.30339	0.8
113.09736	2.4
153.29431	0.7
177.12881	0.9
179.14368	1.9
183.13942	2.7
189.85846	0.9
195.13913	22.9
196.14146	1.2
213.12724	0.8
223.85153	0.8
251.23811	1.0
277.21747	20.7
278.22141	1.6
295.22794	100.0
296.23135	7.9
316.65332	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
51.42583	0.4
57.03450	0.8
57.69271	0.5
59.01371	2.0
59.27294	0.5
59.36932	0.5
61.74225	0.5
69.09011	1.7
69.09441	2.9
78.85371	0.5
80.73363	0.5
83.05017	0.5
96.43277	0.5
98.22597	0.7
113.09676	2.4
129.41142	0.5
150.35735	0.5
152.30412	0.5
179.14450	1.4
181.12373	0.9
189.95020	0.5
195.13921	20.5
196.14287	1.4
277.21759	18.5
278.21918	1.3
295.22800	100.0
296.23187	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03619	0.5
59.01373	2.2
62.87429	0.6
68.46909	0.5
70.95232	0.5
71.32059	0.7
76.51557	0.5
76.52825	0.5
81.15686	0.5
83.18013	0.5
177.47249	0.5
248.03664	0.5
265.21780	1.4
277.21753	4.4
285.80203	0.5
293.20996	0.8
294.98584	0.6
295.22800	100.0
296.23145	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17714	1.5
62.71048	1.5
62.97707	1.6
71.30241	2.7
74.08807	1.8
77.88430	1.7
109.35222	1.7
157.08673	2.6
159.08034	2.2
183.01225	58.2
183.13782	2.2
184.14243	2.3
223.61249	2.0
231.13878	3.1
254.76170	2.1
295.22754	3.3
296.12714	40.8
296.23248	14.7
297.15329	100.0
308.05862	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06127	2.8
61.98835	3.3
64.27395	2.6
66.66459	2.3
68.93838	2.6
70.05193	9.8
74.99070	4.0
82.75098	2.6
89.04269	5.1
93.00132	2.9
97.83747	3.2
111.15125	2.8
113.55574	2.7
121.06586	21.9
121.63876	3.0
126.86963	2.7
126.91018	3.0
149.00963	41.8
163.11310	20.8
183.01294	14.0
223.02847	3.6
264.98486	19.8
282.99741	3.3
297.04749	100.0
297.15329	16.4
297.18652	11.8
297.24323	27.0
298.04837	5.1
299.02634	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1132
Annotation	Nortopsentin D
Peak:m/z	Relative Intensity
64.57653	0.8
93.03420	1.1
95.01399	1.6
95.05032	2.3
98.21752	2.7
105.03468	10.3
107.98636	0.7
109.02934	0.9
119.05041	15.5
121.02979	3.8
123.04496	1.3
132.02199	7.0
133.02968	94.7
134.03343	3.6
136.01674	22.3
136.02454	0.5
137.02473	7.0
147.04535	20.2
151.04033	3.0
153.05592	17.6
154.05959	0.9
160.01669	11.5
163.04018	2.5
164.04834	1.6
171.66170	0.9
175.04034	10.0
177.01941	36.6
178.02492	2.6
186.57886	0.8
192.04306	30.4
193.04961	3.2
229.73982	1.1
282.08990	30.2
282.12146	1.4
283.09366	2.2
297.11340	100.0
298.11691	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1135
Annotation	Combretastatin D4
Peak:m/z	Relative Intensity
59.01381	1.7
67.42549	1.5
70.92738	1.5
71.32177	1.5
80.53030	1.5
93.03470	2.7
109.02960	66.7
114.80524	1.5
119.54300	1.4
121.02975	15.8
146.03793	1.8
149.06082	3.4
160.05341	5.9
161.06053	2.9
173.06065	14.3
175.07660	21.7
183.01213	2.4
185.05859	2.3
187.07664	37.1
197.06062	2.0
198.03098	1.7
212.04808	2.1
213.05534	3.2
225.05473	3.3
227.10831	2.0
238.06345	1.8
239.07126	1.9
241.05058	10.2
241.12614	2.1
253.05022	2.6
254.05788	2.2
254.13052	1.8
267.06763	3.5
267.13947	7.2
268.11017	1.8
269.11868	4.5
279.10233	2.4
281.08167	6.1
281.15518	9.2
282.08932	6.7
282.16299	27.1
283.77118	1.7
297.04413	3.4
297.07800	7.1
297.11337	100.0
297.15054	4.9
297.18539	51.7
297.24252	2.4
298.11667	5.8
298.18893	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1345
Annotation	Tehranolide
Peak:m/z	Relative Intensity
53.71432	0.4
59.01370	0.4
64.21774	0.3
67.87553	0.4
69.97337	1.4
72.99316	9.3
75.00877	100.0
76.01223	0.9
95.05035	0.5
108.02194	0.7
109.06649	0.5
119.13645	0.3
122.03732	0.6
123.04538	1.0
136.05316	0.6
161.09737	1.3
165.09312	0.8
170.05864	0.7
177.12726	0.4
178.09999	0.6
179.10774	2.7
180.37062	0.4
203.10847	0.5
206.09497	4.8
221.11838	8.3
297.13449	45.9
298.13815	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97366	0.5
64.19189	0.4
74.44260	0.4
127.11278	2.0
134.37019	0.5
153.12886	0.5
157.44278	0.4
171.10287	10.1
183.01202	1.7
201.07976	0.6
235.20715	0.8
279.23355	11.8
280.23679	0.7
295.23041	0.6
297.15329	3.5
297.24368	100.0
298.24738	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2438
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
65.78764	0.3
70.77242	0.6
79.95753	0.5
95.66234	0.3
164.23772	0.3
183.01224	8.4
184.01959	2.2
216.00948	2.0
251.23802	0.8
258.68445	0.4
279.23383	1.0
295.22665	0.7
297.15335	18.8
297.24356	100.0
298.15536	1.6
298.24673	8.2
301.33755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2437
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
50.78601	0.5
59.01371	1.1
62.38404	0.4
66.90472	0.5
70.42200	0.5
81.68129	0.5
121.02995	0.6
137.09799	0.5
139.11278	0.5
141.12848	1.4
155.10799	14.7
167.60541	0.6
171.10295	1.4
183.01216	2.2
193.24393	0.5
196.74464	0.5
218.59306	0.5
229.56708	0.9
251.23837	0.6
279.23328	12.1
280.23657	1.2
297.15353	4.8
297.24371	100.0
298.15527	0.6
298.21530	1.0
298.24689	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2437
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
67.11410	0.7
71.07909	1.5
73.83150	0.9
74.03181	0.8
125.09753	0.9
155.10866	1.2
157.94804	0.8
171.10266	2.6
183.01221	3.4
227.77684	0.8
276.26950	0.8
279.23309	3.2
297.04562	1.8
297.15286	5.7
297.24356	100.0
298.24686	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0199
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
56.22479	0.4
59.01387	0.9
59.63486	0.4
63.02401	3.9
63.33447	0.4
65.00326	2.4
69.14158	1.8
69.14581	1.9
71.12872	0.8
73.79916	0.4
83.01403	1.3
89.00338	1.1
91.01867	0.5
100.44392	0.4
102.27319	0.4
107.01397	3.3
109.02954	5.1
115.05543	0.7
129.03481	0.4
131.05037	0.7
133.02960	8.3
135.00890	1.2
137.47003	0.4
143.05046	4.1
145.02953	1.0
145.06596	0.6
147.00912	1.1
147.04520	1.0
149.02489	0.5
151.00397	3.2
155.04985	1.2
157.02936	2.6
159.04515	0.8
161.02438	1.1
163.03970	0.8
169.02914	0.7
170.03746	0.6
171.04524	7.2
173.02428	1.9
175.04001	3.7
182.03751	0.6
183.04419	1.0
185.02412	0.8
187.04001	3.8
189.05573	0.5
197.02454	1.7
198.03209	2.3
199.04016	14.8
200.04376	0.6
201.01956	4.7
203.03499	1.2
206.22351	0.4
213.01884	0.9
214.02721	0.8
215.03499	6.3
225.01987	0.7
226.02721	3.4
227.03453	6.3
228.03839	0.7
229.01390	0.6
241.14398	0.6
242.02138	2.2
243.02988	6.9
255.03052	1.6
271.02496	83.4
272.02872	5.0
282.01660	0.9
299.01993	100.0
299.15085	1.4
299.18710	1.3
300.02386	8.0
310.19131	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.02
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99834	0.4
59.01359	0.5
59.13890	0.5
60.82302	0.4
63.02395	5.0
65.00320	2.0
71.12879	0.5
83.01366	1.2
89.00322	0.7
91.01912	0.9
98.22324	2.5
107.01429	3.5
109.02950	4.6
115.05544	0.8
117.03391	0.5
119.01407	0.9
133.02969	7.9
135.00893	1.0
137.02437	0.6
143.05045	4.5
145.02902	0.7
147.00900	1.3
147.04515	0.9
149.02507	0.6
151.00365	2.8
154.04277	0.8
155.05019	1.6
157.02975	2.4
159.04517	0.6
170.03732	1.0
171.04527	8.2
172.04755	0.7
173.02414	1.9
175.04025	4.5
182.03659	0.7
183.04518	1.0
183.38068	0.5
185.02470	0.9
187.03986	4.1
189.05580	0.6
197.02408	1.9
198.03198	1.9
199.04019	13.9
200.04393	1.0
201.01962	5.6
203.03491	1.2
213.01932	1.1
214.02698	0.7
215.03508	4.5
224.86050	0.5
225.01971	0.6
226.02632	2.6
227.03534	5.9
241.01537	0.6
242.02240	2.6
243.03018	7.1
255.02991	1.2
271.02496	81.6
272.02835	5.9
282.01736	1.2
299.01987	100.0
300.02377	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.02
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
59.01395	0.6
63.02406	4.0
65.00323	2.2
71.12868	0.8
81.48306	0.6
83.01409	0.8
98.21898	2.0
98.22571	0.8
107.01382	2.4
107.10905	0.5
109.02972	5.0
115.05565	1.1
115.21237	0.5
117.95539	0.6
128.03700	0.5
131.05048	0.7
133.02972	7.9
135.00874	1.6
143.05037	3.7
145.02927	1.8
147.00920	1.0
151.00368	2.2
155.05019	1.4
157.02942	2.0
170.03629	0.8
171.04529	6.7
173.02463	2.4
175.04004	4.2
183.04526	1.2
185.56343	0.6
187.03987	2.6
197.02377	1.7
198.03163	1.7
199.03993	15.1
201.01938	5.0
203.03473	0.9
215.03499	5.6
225.01920	0.7
226.02774	2.5
227.03583	5.9
241.01411	0.6
242.02179	2.0
243.02985	7.5
255.02928	1.8
271.02493	76.1
272.02780	4.1
282.01660	0.9
299.01987	100.0
300.02347	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0564
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
54.41464	0.4
55.64408	0.4
59.01384	3.1
59.50651	0.5
63.02397	1.0
65.00275	0.4
71.31111	0.7
73.45028	0.5
83.01384	1.1
87.72348	0.4
95.39238	0.4
106.18474	0.5
107.01373	2.0
119.05031	0.5
128.23944	0.6
132.02090	0.5
133.02917	0.7
134.03694	1.0
137.02441	0.9
148.73732	0.5
150.92847	0.5
151.00375	3.2
152.01175	0.7
154.79198	0.5
161.02460	0.5
167.08704	0.6
174.99176	0.9
183.04547	0.7
187.18274	0.5
199.03976	1.0
211.03970	1.2
216.85983	0.5
217.00301	3.4
227.03522	3.2
239.03464	0.6
255.02951	1.7
256.03778	28.3
257.04077	1.4
269.04547	0.7
271.02496	1.0
281.08270	0.5
283.02499	0.9
284.03281	100.0
285.03662	5.0
299.05630	66.2
300.05908	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0777
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
51.40435	0.9
56.98034	1.4
59.01388	5.5
66.10636	0.9
69.15553	5.7
71.01379	2.5
74.99097	5.6
85.02962	1.5
87.00879	0.9
89.02454	2.0
93.03465	84.4
94.03780	1.7
94.43883	0.8
95.01374	0.8
98.21795	1.4
101.02467	0.9
113.02430	1.4
115.51156	0.8
136.93114	0.8
137.02457	100.0
138.02794	3.5
144.36696	0.8
179.03502	1.9
201.02510	1.3
237.04277	1.8
256.03754	1.2
299.07700	3.8
303.86661	0.8
307.78189	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0774
Annotation	glucosyl salicylate
Peak:m/z	Relative Intensity
53.27595	0.4
54.38386	0.4
57.03438	0.7
58.00597	0.7
59.01383	20.2
65.03951	0.4
69.21601	3.6
71.01389	13.6
72.99303	1.5
73.02932	1.4
75.00871	1.1
77.46232	0.4
83.01382	0.9
85.02963	3.7
87.00853	0.6
89.02452	13.9
91.02090	0.5
93.03467	63.8
94.03786	1.8
95.01376	0.8
98.53046	0.4
101.02451	7.4
113.02459	4.1
118.62238	0.4
119.03539	6.1
119.05029	8.5
122.23534	0.4
137.02458	100.0
138.02783	3.0
138.05650	1.9
161.04555	0.8
179.05620	0.5
196.39725	0.4
204.39650	0.4
211.07594	0.7
217.00540	0.5
220.12442	0.4
222.02621	0.4
252.92868	0.4
299.08173	0.7
299.11490	0.7
299.14978	0.9
304.78513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32038	2.2
58.00047	2.0
59.01368	7.6
70.64061	4.7
70.64421	3.9
71.01361	3.0
74.99091	6.2
78.78637	2.3
84.35864	2.3
89.02450	2.8
93.03466	83.2
94.03761	2.9
102.14050	2.2
113.02444	3.1
137.02455	100.0
138.02782	2.9
156.90251	2.5
179.03601	2.7
194.79526	2.2
287.62671	2.2
299.07623	2.8
312.41711	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.6
57.03445	1.6
58.00586	2.8
59.01381	100.0
63.71823	1.0
70.32866	3.6
71.01389	52.4
72.99309	3.7
73.02930	1.0
78.78700	1.0
83.01401	2.8
85.02956	10.5
87.00883	2.3
89.02451	68.5
93.03465	29.1
93.90936	1.0
95.01406	3.8
99.00907	1.0
101.02451	30.9
113.02456	19.1
119.03535	25.9
119.05032	41.0
131.03500	1.7
137.02452	42.1
137.06076	2.8
138.02776	1.2
141.54552	0.9
143.03500	2.9
149.04517	1.1
153.43831	0.9
161.02489	1.0
161.04578	2.3
179.05571	2.3
299.11417	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.1
58.00574	2.8
59.01383	96.7
59.32535	1.4
65.40659	1.4
71.01384	63.6
71.29925	3.0
72.93857	1.6
72.99299	5.5
73.02949	2.5
73.56494	1.7
75.00900	2.4
81.27329	1.4
83.01388	3.7
85.02969	14.9
87.00868	3.8
89.02454	78.7
93.03463	64.6
94.03792	1.6
95.01371	4.3
101.02450	39.4
109.02881	1.5
113.02458	24.7
115.31548	1.3
119.03537	33.4
119.05029	47.5
123.03250	2.1
136.05261	1.6
137.02457	100.0
137.06075	6.4
138.02762	3.6
138.05626	37.6
140.73068	1.4
143.03508	2.0
161.04514	2.7
179.05602	2.7
211.07619	5.0
224.05765	1.4
256.04114	1.8
271.02563	1.6
291.29755	1.6
299.02417	1.9
299.05475	3.3
299.11264	4.5
299.15009	7.8
305.71875	1.4
317.63864	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1138
Annotation	Salidroside
Peak:m/z	Relative Intensity
53.68281	1.3
55.01881	2.4
55.82632	1.1
56.98037	1.4
57.03446	2.0
57.55239	1.3
58.00584	5.7
59.01384	100.0
64.31063	1.3
68.83327	1.1
69.03442	1.9
71.01390	67.8
72.99311	5.7
73.02952	6.6
74.99102	4.6
75.00874	3.8
81.84875	1.5
83.01393	4.1
85.02956	12.4
87.00877	4.2
89.02454	83.0
93.03451	2.0
95.01405	3.6
97.06550	1.4
99.00882	2.4
99.04520	1.6
101.02448	33.3
107.05041	4.5
109.02999	1.4
113.02457	24.4
119.03528	31.5
119.05032	23.9
131.03537	3.2
135.04523	1.2
137.02473	11.7
137.06111	5.0
143.03534	1.9
153.12920	1.3
161.04579	1.3
163.11327	2.0
179.05562	2.0
281.14005	2.8
299.02054	3.2
299.11362	7.3
299.15012	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40624	0.4
59.01392	0.4
68.99872	0.3
70.82082	0.5
76.91696	0.3
87.10527	0.3
97.10877	0.3
117.03474	20.4
118.03788	0.3
119.05044	2.7
121.02971	11.2
122.03323	0.3
123.04541	3.5
133.02948	1.9
133.46231	0.3
134.03769	0.8
145.02966	58.2
146.03281	2.2
149.02393	0.4
151.11258	0.4
162.03235	5.5
163.04019	2.1
261.47757	0.3
275.95663	0.2
299.16547	100.0
300.16891	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1656
Annotation	Miltipolone
Peak:m/z	Relative Intensity
50.40624	0.4
59.01392	0.4
68.99872	0.3
70.82082	0.5
76.91696	0.3
87.10527	0.3
97.10877	0.3
117.03474	20.4
118.03788	0.3
119.05044	2.7
121.02971	11.2
122.03323	0.3
123.04541	3.5
133.02948	1.9
133.46231	0.3
134.03769	0.8
145.02966	58.2
146.03281	2.2
149.02393	0.4
151.11258	0.4
162.03235	5.5
163.04019	2.1
261.47757	0.3
275.95663	0.2
299.16547	100.0
300.16891	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2018
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
59.01368	0.4
59.94154	0.2
74.61494	0.2
98.21772	0.3
118.51609	0.2
119.46745	0.2
128.81671	0.2
143.42668	0.2
165.61989	0.2
185.00771	0.3
213.09290	0.3
214.10074	0.3
215.10725	0.4
216.89656	0.2
217.00320	0.5
227.10785	9.1
228.11285	0.6
231.13921	4.9
232.14294	0.2
241.12399	0.5
269.15454	0.7
283.17053	1.2
284.17755	0.2
292.51541	0.2
299.20169	100.0
300.12280	0.2
300.20517	8.2
316.16873	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2019
Annotation	Dehydroabietic acid
Peak:m/z	Relative Intensity
64.34425	0.9
71.31707	1.4
71.32140	1.4
82.56632	1.0
91.06666	1.0
110.20439	1.0
174.40758	0.9
185.02467	1.0
299.20178	100.0
299.25729	3.6
300.20563	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00331	0.3
50.85491	0.3
52.39789	0.4
59.01392	1.9
62.67007	0.3
64.84741	0.3
68.01414	3.4
69.03473	0.3
69.16518	2.9
71.01393	0.6
73.02993	0.4
73.03661	0.4
85.02956	0.4
96.04559	0.6
109.01737	0.5
110.06123	0.4
114.15589	0.3
122.02505	1.1
122.06126	0.4
123.03285	6.4
124.07661	1.0
137.04865	1.0
138.05621	100.0
139.05977	2.7
150.05576	0.5
152.07184	1.8
166.08691	0.6
167.05846	1.8
168.06662	0.8
180.06674	5.0
181.91245	0.3
195.08180	0.6
210.07704	0.4
248.30852	0.3
253.09988	0.3
300.10889	12.8
300.14355	0.8
301.11514	0.7
301.16458	0.8
316.26578	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.997
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99311	13.7
65.03948	1.7
71.01385	1.0
71.37534	0.6
78.95900	2.5
81.03450	1.0
84.48822	0.6
88.98813	100.0
93.03493	3.2
97.02970	1.0
98.22625	1.4
99.00861	0.8
108.02199	1.8
109.02960	2.7
110.03728	3.7
111.00881	0.8
112.01672	0.9
123.00891	4.2
131.08305	0.8
137.02475	3.2
138.03232	2.4
139.00351	0.7
150.98038	3.2
173.04507	1.6
174.98026	0.7
180.99135	1.1
190.97551	3.6
192.99107	1.8
208.98643	1.2
210.93327	0.7
211.00153	20.5
212.00537	1.1
229.01321	1.6
254.99178	2.1
255.03662	0.9
284.12610	1.3
300.99963	0.7
301.03555	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.0
59.01376	4.1
63.02401	9.3
65.00330	26.0
67.01908	1.6
71.31140	1.6
76.48437	1.2
80.06071	1.3
83.01390	19.1
83.05007	2.0
89.59764	1.3
93.03463	43.2
95.01385	6.7
107.01398	40.3
108.02197	1.8
109.02964	4.9
109.03754	1.1
111.00906	3.1
117.03457	10.5
118.03699	1.4
119.01442	1.6
119.05001	2.4
121.02988	4.1
123.00913	3.2
124.01670	7.0
125.02458	15.4
133.68654	1.3
135.00906	2.7
135.04494	8.4
137.02451	3.6
139.00385	2.0
143.05043	2.7
145.02960	4.4
147.04475	1.7
150.50044	1.3
151.00380	100.0
152.01170	30.9
153.02014	7.8
159.04536	8.0
161.02458	7.5
161.06113	3.7
163.00395	16.2
163.04041	2.1
164.01183	2.5
169.01462	3.6
171.04565	1.6
173.06071	2.2
178.99855	33.0
179.01308	2.4
183.04535	1.9
185.06046	2.3
187.03979	7.4
189.05566	3.6
191.03528	3.3
201.05637	11.0
206.99356	28.3
208.00160	16.5
209.11775	13.9
210.57722	1.3
211.03960	2.3
213.02037	1.7
215.03471	6.1
229.05031	7.8
233.04659	1.6
240.04437	1.6
245.04544	82.3
246.04919	3.7
255.03011	3.9
255.06728	3.2
256.03397	2.0
257.04541	10.3
270.09109	2.2
272.02811	6.0
273.04068	96.2
274.04413	5.9
283.02582	6.7
301.03516	47.2
301.16696	2.9
301.20227	2.1
302.03876	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	9.1
59.01368	5.6
63.02388	10.1
65.00324	18.3
68.99799	2.2
83.01392	15.8
93.03468	33.0
95.01385	3.0
107.01392	33.1
109.02969	5.8
111.00877	3.3
117.03494	5.3
119.05009	2.8
121.02946	13.0
123.00934	2.5
124.01678	7.5
125.02464	28.9
126.60739	1.6
135.00864	2.8
135.04526	6.6
136.96773	1.6
137.02451	3.9
143.05040	2.5
145.02942	4.0
147.04497	1.9
149.02431	7.5
151.00383	72.9
152.01160	20.1
153.01959	3.4
155.10812	6.0
159.04549	9.4
161.02431	7.1
161.06097	2.4
163.00374	11.3
163.04016	3.7
169.01370	1.8
173.02419	1.9
177.05614	3.0
178.99863	24.7
183.04512	2.5
185.06035	3.5
187.04041	4.8
191.03568	3.2
199.03958	1.8
199.09843	2.4
201.05595	6.7
206.99348	19.0
208.00168	13.0
211.04018	4.7
213.05605	2.8
215.03534	6.2
227.03429	5.5
229.05002	9.5
233.04532	2.4
241.14513	4.9
243.03012	2.1
244.03261	4.0
245.04561	50.1
246.04947	2.4
250.42094	1.5
255.02968	6.5
256.03275	8.2
257.04614	7.8
272.02914	10.3
273.04059	86.9
274.04373	4.4
283.02597	7.2
301.03485	100.0
301.13098	2.3
301.16519	12.8
302.03662	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0357
Annotation	HIERACIN
Peak:m/z	Relative Intensity
50.15931	0.4
51.74882	0.4
53.83388	0.4
56.91690	0.4
58.72162	0.4
60.90990	0.3
63.02072	0.5
63.02399	8.3
64.99984	0.9
65.00328	16.7
69.19781	3.2
69.20189	1.0
77.02941	0.5
83.01397	9.1
93.03458	6.2
95.01396	0.8
101.08247	0.4
107.01402	25.0
109.02949	2.3
121.02968	23.3
124.01701	0.7
125.02425	0.9
139.04050	2.1
145.02980	0.8
149.02454	2.6
151.00380	77.1
152.00697	2.8
159.04570	1.0
161.02435	1.3
161.06224	0.7
163.00385	1.4
163.04031	1.1
164.01166	1.7
165.01942	0.5
169.01414	2.2
175.03973	0.8
178.99872	24.8
180.00328	0.6
185.06088	0.6
187.04027	1.0
192.00729	0.6
193.01413	1.6
201.05611	1.6
203.03523	1.1
205.05069	0.6
211.04089	1.0
229.05043	1.9
243.03052	0.5
245.04576	3.4
255.03070	1.1
256.03677	0.6
257.04535	0.8
257.12897	0.8
272.02893	0.5
273.04117	5.6
301.03549	100.0
301.20114	0.9
302.03897	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	7.7
58.86496	0.6
59.01378	0.8
63.02126	0.6
63.02414	6.0
65.00323	6.0
66.35229	0.6
69.03828	5.3
69.04234	1.5
72.99283	0.9
83.01398	6.7
93.03481	10.5
95.01383	2.5
99.89220	0.7
107.01399	8.6
107.05012	1.7
108.02198	1.7
109.02949	2.9
111.00883	1.6
117.03455	1.5
119.01413	1.1
119.05045	1.8
121.02078	1.2
121.02958	14.5
123.00864	1.5
123.04507	1.1
124.01643	2.0
125.02459	37.6
133.02982	0.9
135.00902	1.7
135.04506	3.0
136.01756	0.8
137.02446	4.7
139.00346	0.9
139.04004	2.6
143.05042	2.6
145.02962	2.8
146.03687	1.0
147.00877	1.6
147.04510	1.3
149.02438	7.8
151.00371	21.4
152.01079	1.4
153.01889	1.2
155.05046	1.6
157.06598	1.0
159.04480	4.1
161.02393	1.7
161.06097	1.3
163.00392	1.7
163.04047	5.3
164.01276	0.8
165.01875	1.4
169.01450	1.1
171.04544	1.4
173.02605	0.8
173.06119	0.8
175.04016	0.7
177.01886	2.2
177.05568	2.0
178.99886	7.1
183.04527	4.7
185.06067	1.7
187.04041	7.9
189.02061	1.1
189.05623	1.2
191.03577	2.5
192.00690	1.2
199.04004	2.5
201.05627	2.6
203.03392	0.8
205.05104	1.9
211.04027	4.5
213.01965	1.3
213.05518	0.8
214.02602	0.9
215.03499	5.9
216.04143	0.7
227.03461	7.0
229.05028	3.2
231.03070	1.2
239.03549	1.0
241.14655	0.9
243.03006	1.5
244.03470	1.4
245.04539	2.8
255.03020	6.5
256.03381	2.7
257.04575	3.2
257.17313	1.1
272.02878	3.4
273.04065	45.8
274.04425	2.2
283.02457	1.1
300.02438	0.9
301.03546	100.0
301.16571	6.5
302.03726	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0357
Annotation	AC1L9BFA
Peak:m/z	Relative Intensity
51.10124	0.3
51.34778	0.3
52.53274	0.3
57.03463	0.3
63.02406	1.9
64.05998	0.3
65.00335	4.6
71.01390	0.4
71.30489	0.6
71.30858	0.3
77.03968	0.4
83.01398	2.6
86.90412	0.3
91.01886	0.3
93.03471	1.4
102.41211	0.3
105.03465	0.8
107.01402	6.5
108.02268	0.4
109.02939	1.5
120.02155	0.3
121.02968	4.7
122.23856	0.3
123.00908	0.7
125.02473	0.8
133.02893	0.4
137.02467	0.9
143.04890	0.4
145.02878	0.4
149.02449	27.8
150.03006	0.5
151.00380	14.9
151.04099	0.4
159.04530	1.0
161.02463	0.6
163.00366	1.0
164.01228	0.3
165.01955	0.5
165.05573	0.8
167.05074	0.4
169.01430	0.7
171.04541	0.5
173.06151	0.5
175.04016	0.3
177.01862	0.5
178.98376	0.6
178.99834	3.7
183.04565	0.7
184.05238	0.4
185.06073	0.5
187.04007	1.2
191.03505	3.3
195.04541	0.5
197.58228	0.3
199.04004	0.5
199.13493	0.3
200.71953	0.3
201.05612	0.5
203.03531	0.4
206.99396	0.4
209.11874	2.7
211.04070	1.4
212.04784	0.8
213.05524	0.7
214.02844	0.5
215.03477	1.8
217.01437	0.5
217.04918	0.4
225.05574	1.4
227.03583	1.4
227.07109	0.4
227.12892	2.0
229.05042	0.6
230.02167	0.4
233.04599	1.1
239.03493	1.7
240.04300	2.2
240.08096	0.6
241.05049	0.6
245.04567	1.9
253.05226	0.7
255.03053	2.7
255.06642	4.8
256.07266	0.4
257.04541	1.2
259.02380	0.4
268.07486	0.7
270.08975	4.3
271.09723	1.2
272.02820	1.4
273.04007	2.2
283.02527	1.0
286.08496	0.5
301.03549	100.0
302.03897	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0356
Annotation	Tan 931
Peak:m/z	Relative Intensity
63.85483	0.2
67.01884	0.4
69.03458	0.6
69.19257	1.5
77.03978	1.6
83.01388	1.2
83.45921	0.2
93.03458	1.8
95.01383	0.3
97.02964	3.6
98.21738	0.3
109.02947	1.0
116.35836	0.2
121.02960	5.7
123.00908	0.4
132.87643	0.2
137.02455	24.4
138.02776	0.7
139.04034	0.2
156.73441	0.2
158.67473	0.2
165.01938	100.0
166.02274	2.5
212.04829	0.3
227.03482	0.4
232.02109	0.2
240.04175	0.4
253.05179	0.3
255.06648	0.6
256.03833	0.2
270.09009	0.5
271.06067	0.9
286.08517	0.7
301.00116	0.4
301.03510	3.4
301.10788	0.7
302.04028	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0358
Annotation	6-Hydroxykaempferol
Peak:m/z	Relative Intensity
50.13030	1.2
57.03446	2.2
59.01393	1.7
63.02412	10.4
65.00330	29.4
68.79310	1.2
68.99831	1.6
69.26686	3.0
69.27093	7.4
76.94953	1.2
83.01393	20.3
91.01892	1.6
93.03468	49.2
95.01405	5.1
97.79131	1.2
107.01408	37.3
109.02956	2.1
111.00919	1.9
117.03498	11.2
119.05022	1.7
121.02972	2.8
123.00898	4.0
124.01695	6.9
125.02469	14.6
134.03723	1.2
135.00932	3.2
135.04555	9.0
136.01685	2.7
137.02464	5.1
139.00285	2.4
143.05080	1.7
145.02980	4.9
145.06546	1.3
149.06113	1.4
151.00385	96.9
151.03952	2.1
152.01189	31.1
153.01939	7.9
158.03792	1.5
159.04523	6.1
161.02484	10.5
161.06081	3.8
163.00386	14.7
163.04091	1.7
164.01155	2.2
169.01445	4.3
177.05573	1.6
178.99875	32.4
185.06126	3.6
187.03986	4.8
189.05569	2.0
191.03494	4.4
201.05569	11.5
206.99358	26.1
208.00143	20.7
211.03999	1.9
213.05617	1.9
215.03580	8.0
229.05060	9.3
245.04573	78.7
246.04854	4.4
255.02985	3.6
257.04590	11.1
273.04065	100.0
274.04459	6.6
283.02570	4.9
286.04782	5.5
301.00174	2.0
301.03552	21.9
301.07156	8.1
301.10324	1.8
301.14328	1.9
302.03851	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0719
Annotation	Nanafrocin
Peak:m/z	Relative Intensity
51.71948	1.0
52.58606	1.4
65.00342	2.1
70.14135	1.4
81.05408	1.3
83.01379	1.4
98.22549	2.5
107.01395	2.2
121.02975	2.8
123.00893	7.2
124.01678	1.9
131.99644	1.2
137.02477	1.8
149.02382	1.9
151.00362	6.6
172.05283	2.2
173.05907	1.5
179.00029	1.3
180.05768	1.7
182.03714	1.5
183.04521	2.6
183.13918	34.3
184.05208	2.3
184.77751	1.4
185.06055	3.1
192.49503	1.2
195.04543	2.2
196.05344	7.1
197.06062	5.7
199.04018	6.8
211.04015	10.6
212.04797	12.6
213.05527	5.3
215.07016	1.6
223.04028	3.2
224.04770	10.2
225.05540	5.3
227.03560	1.8
227.12892	1.9
239.03485	12.8
240.04292	63.3
241.05061	81.4
242.05736	11.7
252.04356	8.5
253.04982	2.0
255.06631	2.0
257.08185	33.0
267.03061	3.2
268.03784	27.1
269.04349	1.9
269.93097	1.6
270.09039	1.6
273.03918	2.1
283.06134	100.0
284.06464	7.2
286.04800	1.8
301.00000	3.0
301.03583	15.9
301.07193	66.8
301.10590	2.8
301.16672	3.3
302.07648	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.072
Annotation	Gnetifolin A
Peak:m/z	Relative Intensity
51.41578	0.6
53.55554	0.5
57.89368	0.7
63.02405	5.9
65.00329	9.4
68.99220	4.9
73.35636	0.6
78.95914	0.8
83.01400	6.9
93.03493	3.2
107.01394	14.8
109.02952	2.2
121.02965	12.3
123.00853	0.9
131.79489	0.6
135.65596	0.6
136.01581	0.8
137.02422	1.4
139.04057	1.2
143.05020	1.1
149.02449	4.8
150.03310	1.0
151.00381	38.0
152.00761	1.8
159.04489	1.1
161.02458	0.9
163.00327	0.8
164.01172	1.2
165.01949	2.0
165.05576	0.8
169.01454	1.8
171.04495	2.9
178.99879	12.9
184.05263	0.9
185.06119	0.7
186.03305	1.1
187.04016	5.5
189.05641	0.9
193.01437	0.8
199.03946	2.9
200.04747	0.9
201.05531	1.8
211.04034	2.5
212.04797	7.9
213.01976	0.9
213.05499	0.9
214.02817	0.9
215.03514	12.8
225.05557	2.8
226.02844	0.9
227.03494	7.3
227.07115	0.8
228.04112	0.9
229.01370	0.9
229.05080	3.3
233.04649	0.6
239.03490	12.7
240.04274	10.6
241.01451	0.6
241.05042	1.6
242.02263	1.7
243.02975	16.2
244.03333	1.4
245.04582	1.5
253.04973	3.6
254.02226	3.5
255.02893	1.1
255.04079	0.7
255.06631	6.1
256.03787	1.9
256.07306	1.0
257.04590	12.5
258.05243	2.6
267.03012	4.1
268.03772	7.4
268.07245	1.3
269.04547	23.0
270.01682	0.8
270.04880	1.5
270.09064	4.8
271.02502	7.4
271.05701	1.4
271.09711	2.5
272.03104	0.9
273.03946	3.1
285.04065	40.5
286.04840	54.6
287.05191	2.8
301.00073	2.2
301.03552	56.8
301.07199	100.0
302.03888	3.1
302.07529	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0931
Annotation	Isotachioside
Peak:m/z	Relative Intensity
53.38731	0.5
59.01384	1.2
69.57372	2.2
71.01384	3.6
73.02946	0.8
85.02938	2.0
87.00878	0.5
92.59379	0.4
95.01392	5.2
101.02460	2.1
103.31777	0.5
108.02189	0.9
109.02984	0.5
113.02472	2.7
121.02991	2.4
122.03831	0.5
123.00897	100.0
124.01778	4.5
125.02483	0.9
137.02498	3.4
138.03239	59.7
139.00410	0.6
139.04050	10.9
149.02406	2.6
150.03178	1.2
151.04025	1.8
159.01546	0.7
161.04593	3.2
163.03996	0.8
166.02669	2.5
178.02734	1.1
179.03551	0.5
181.05093	5.8
193.05084	2.5
234.39662	0.5
301.09375	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15314	1.1
63.02397	2.6
65.00316	4.5
66.36066	1.1
69.05630	1.9
69.06034	8.8
71.01357	1.2
73.01173	2.7
83.01380	4.6
93.03462	3.6
101.04317	1.1
107.01410	8.7
108.02202	1.3
109.02950	5.5
121.02968	8.7
125.02528	1.3
139.04065	1.5
148.65785	1.1
149.02466	11.5
150.03255	9.4
151.00380	24.3
152.01045	1.4
159.04391	1.8
161.15236	1.3
163.00380	3.7
164.04764	2.3
165.05591	11.2
169.06598	1.2
178.99867	6.8
183.04546	5.2
184.05315	5.2
187.04034	5.6
193.15936	1.3
195.04482	8.3
196.05257	3.1
197.06084	6.8
198.40929	1.2
199.04039	1.7
208.96317	1.3
209.06107	1.4
211.04034	5.8
212.04750	9.7
213.05655	10.4
223.03961	3.8
224.04759	4.1
225.05588	31.8
226.06172	3.7
227.03456	1.5
227.07100	8.7
236.04875	2.4
237.05583	2.5
238.06381	2.0
239.07251	1.5
240.04300	47.8
240.07913	12.2
241.05003	15.9
241.08592	1.3
242.05603	1.9
245.04491	6.3
252.04424	1.4
253.05066	27.8
254.05612	2.1
255.06650	100.0
256.03482	3.2
256.07242	15.6
257.04736	1.3
267.06644	2.2
268.07422	15.2
269.07892	1.7
270.08990	86.3
271.06165	7.5
271.09689	33.0
272.02826	4.6
272.10101	2.5
273.04138	6.6
283.09839	5.8
283.15585	1.9
286.08542	10.4
301.03522	34.3
301.10846	21.7
301.16544	12.8
302.03836	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93733	0.9
57.89481	0.9
63.02393	0.9
65.00308	1.8
107.01385	4.3
108.02242	0.9
109.02960	2.3
121.02991	4.3
123.04504	1.1
143.78502	0.9
149.02437	7.4
150.03226	8.5
151.00385	12.2
162.03056	0.8
164.04765	1.9
165.01874	1.1
165.05574	12.7
169.06636	1.2
171.04480	2.0
177.24010	0.9
178.99863	3.2
183.04536	3.9
184.05257	5.4
185.05984	1.3
187.04007	6.9
195.04533	6.4
196.05287	1.7
197.06029	7.1
209.06102	1.7
211.03925	5.1
211.07719	1.3
212.04791	9.3
213.05589	7.6
214.06006	1.0
215.03510	1.6
215.07196	0.8
223.03918	4.1
224.04826	3.1
225.05589	27.5
226.06284	2.1
227.03514	1.4
227.07123	5.0
236.04797	2.4
237.05603	1.6
237.67827	0.8
238.06206	1.3
239.03503	2.2
239.07156	1.1
240.04286	44.6
240.07860	11.3
241.04996	16.4
241.07596	1.2
241.08472	1.1
242.05676	1.3
243.03040	1.8
243.06647	2.2
253.05061	22.6
254.05716	1.3
255.06642	100.0
256.07254	14.7
257.04596	2.6
267.06516	2.0
268.04416	1.4
268.07385	10.6
269.04581	1.8
269.07773	1.0
270.08978	92.8
271.02942	1.6
271.06149	9.0
271.09683	33.8
272.06451	0.8
272.09991	1.9
283.09811	6.4
285.04065	4.1
286.04794	4.6
286.08456	9.7
301.03497	14.9
301.07153	10.0
301.10837	22.2
302.04025	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1084
Annotation	BAUHINOXEPIN F
Peak:m/z	Relative Intensity
59.01385	1.4
65.00317	2.9
67.01904	7.4
68.99792	2.1
69.06661	7.6
71.01376	2.0
81.03444	1.3
83.01390	4.0
88.23373	1.2
93.03461	1.6
95.01385	9.5
98.22641	2.5
107.01394	6.4
108.02207	2.9
109.02936	2.8
111.00891	19.7
121.02956	2.3
123.00900	74.5
124.01680	49.7
125.02432	2.2
132.08290	1.3
135.00922	2.6
138.03206	2.7
139.00424	6.0
150.99254	1.5
151.00346	8.9
152.01144	1.3
165.99036	1.4
178.99866	3.5
238.42421	1.1
240.04289	1.3
255.06688	1.9
262.18793	1.2
270.08951	1.7
271.06116	1.4
271.09579	1.4
286.08472	14.5
286.11578	2.3
287.08633	1.5
301.00000	2.9
301.03482	6.6
301.10822	100.0
302.11157	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16263	0.7
54.75008	0.6
55.01879	6.3
57.03453	5.6
58.00595	2.0
59.01383	56.3
60.01694	0.7
69.03462	1.4
70.08376	0.6
71.01386	100.0
71.27386	0.8
72.01734	1.6
72.99316	5.2
73.02953	26.6
75.00884	1.3
83.01387	13.0
84.02190	0.8
85.02956	41.8
86.00087	0.8
87.00878	3.4
89.02448	30.7
95.01389	8.0
95.01958	0.9
97.02944	2.0
99.00894	10.3
101.02449	58.3
102.02821	0.8
113.02457	40.1
118.54546	0.7
119.03509	10.2
123.00893	1.1
125.02483	2.4
129.02002	1.5
131.03522	1.4
139.00412	1.0
143.03488	3.2
149.02477	1.4
155.10793	0.8
159.03000	6.9
161.04570	26.9
163.04147	0.6
165.02007	0.7
165.50835	0.6
175.00441	2.1
176.01111	0.9
179.05614	1.6
191.03535	2.8
192.77081	0.7
205.03482	1.2
215.03619	1.0
257.04712	0.8
276.20782	0.7
301.00113	1.3
301.03659	2.0
301.06992	0.9
301.13260	1.1
301.16550	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	6.2
57.03453	5.9
58.00594	3.3
59.01382	56.9
67.01890	0.7
69.03452	1.3
71.01389	100.0
71.29290	0.7
72.01729	1.3
72.99302	4.6
73.02954	26.0
73.16325	0.6
75.00888	1.8
83.01396	12.8
84.02164	1.0
85.02959	39.3
86.03304	0.8
87.00893	3.7
89.02454	27.8
95.01388	7.2
97.02962	2.3
99.00893	10.8
101.02451	57.9
102.68969	0.5
109.02941	1.0
110.81735	0.6
111.00922	0.8
111.08221	0.6
113.02463	38.8
119.03517	10.4
123.00989	0.7
125.02475	1.5
129.01991	1.5
137.02457	0.8
139.00443	0.6
143.03505	3.9
147.00923	1.0
149.02545	0.7
159.03029	6.9
161.04568	29.2
162.04898	1.1
165.01990	0.7
175.00418	1.9
187.04132	0.7
191.03557	2.9
199.09819	0.8
205.03624	0.7
215.03621	1.5
215.07356	0.9
216.03197	0.6
237.67850	0.5
257.04730	1.3
301.00046	1.5
301.03745	1.8
301.07272	0.6
301.13116	0.9
301.16501	9.7
301.19666	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1663
Annotation	Viridamine
Peak:m/z	Relative Intensity
59.96716	0.2
60.97505	0.7
69.06693	1.9
74.99084	0.9
91.02230	0.2
93.00158	0.3
118.96278	1.1
120.97818	0.3
128.44131	0.2
134.99414	6.9
136.97359	2.6
141.07379	0.3
143.05405	1.4
150.98917	0.3
159.08487	1.7
161.06403	6.4
162.06465	0.2
201.04074	0.8
203.05681	3.9
205.03557	1.0
215.05602	1.4
217.07219	92.1
218.07355	5.7
235.08472	0.3
261.06210	0.6
283.11954	0.7
285.13492	39.4
286.13675	3.5
301.16620	100.0
302.16806	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2175
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
57.73719	3.2
71.31570	4.4
71.31922	3.2
72.12951	3.6
101.15089	2.4
109.18788	2.6
119.64052	2.9
125.66695	2.4
174.55605	2.5
205.12312	6.8
210.98871	2.7
235.01382	2.8
301.21774	100.0
302.22049	10.3
304.05859	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03177	1.3
57.03450	18.4
58.34587	0.7
58.58587	0.7
65.00316	3.0
69.02545	4.8
69.02967	3.0
73.85809	0.7
83.01390	6.2
86.65536	0.7
88.25970	0.7
93.03522	1.0
95.01416	1.2
101.89307	0.7
107.01395	2.1
109.02943	3.7
111.00883	0.8
115.17478	0.7
121.02952	2.0
122.03720	1.2
123.04549	8.6
124.01646	1.6
125.02454	100.0
126.02779	3.0
132.38715	0.7
137.02448	2.3
139.04022	2.1
147.04507	2.3
149.02455	5.8
150.03255	5.7
151.00383	8.3
151.04018	7.9
152.01189	4.8
153.01949	6.5
161.02470	1.5
161.06050	1.2
165.05614	1.1
171.04550	1.7
173.02376	0.9
174.03270	2.9
175.04005	18.4
176.01154	0.7
177.01933	18.1
177.50679	0.8
178.99869	7.3
181.01405	2.3
185.06120	0.8
188.04799	2.4
189.05566	4.1
193.05087	2.7
199.03967	8.0
201.01961	2.8
213.05556	1.9
215.03391	1.0
216.04373	1.4
217.05086	10.3
231.06651	2.1
241.05141	6.3
243.02957	1.5
257.04572	1.3
259.06085	5.8
275.05695	5.2
276.40225	0.9
285.04059	60.9
286.04379	3.1
303.05118	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0513
Annotation	Taxifolin
Peak:m/z	Relative Intensity
57.03455	16.3
59.01378	2.6
59.97560	0.6
65.00330	3.7
67.01896	0.6
69.19588	4.7
71.01371	2.7
73.02962	1.1
81.03463	0.9
83.01398	8.0
85.02956	1.1
89.02460	1.2
93.03462	1.1
95.01408	0.8
97.02908	0.7
98.21767	1.1
101.02436	0.9
107.01408	3.7
108.02185	1.5
109.03000	3.2
109.03632	0.6
111.00897	1.1
113.02453	0.9
119.84462	0.5
120.99649	0.7
121.02970	2.1
122.03785	0.8
123.00918	0.8
123.04540	7.1
124.01687	2.2
125.02461	100.0
126.02779	2.2
133.02971	1.1
137.02467	1.7
139.04027	2.7
140.07204	2.5
141.02023	1.3
141.07545	2.4
142.93944	0.7
143.05083	0.8
146.03731	0.6
147.04527	2.5
149.02469	6.1
149.06216	0.6
150.03232	7.7
151.00392	9.1
151.04027	10.0
152.01160	4.9
153.01964	8.7
161.02466	1.4
161.06094	1.1
163.00423	0.7
163.04008	0.7
164.04782	0.7
165.05644	1.2
171.04597	2.4
173.06165	1.4
174.03255	3.5
175.04027	18.3
176.04298	0.9
177.01936	15.9
178.99861	7.8
181.01431	1.8
185.06093	1.1
188.04836	2.0
188.65056	0.5
189.05550	4.8
191.03566	0.7
193.05116	2.8
199.04030	8.9
199.52974	0.6
201.01990	2.3
212.05035	0.7
213.05611	2.4
215.07181	0.6
216.04314	1.7
217.05048	9.5
231.06578	1.7
236.59512	0.6
241.05095	6.8
243.02956	1.2
257.04529	1.3
259.06241	4.9
275.05658	5.7
285.04080	49.5
286.04453	3.8
303.05206	5.5
303.08871	1.0
303.14651	1.3
303.18045	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.7
59.01386	4.9
62.00177	0.8
66.76229	0.9
68.52785	0.8
69.03439	2.5
71.01369	2.2
71.27122	1.0
75.83096	0.8
79.95742	95.7
80.96526	62.8
81.03444	1.9
83.01387	2.6
83.05010	1.6
85.02955	6.0
86.83209	0.7
87.00872	1.1
93.03456	2.3
95.01405	1.1
97.02950	1.8
99.00901	3.3
106.84983	0.8
108.02171	1.1
109.02956	7.4
109.06602	1.4
109.10042	0.9
111.00877	3.3
113.02444	1.0
119.05022	3.2
121.02959	1.5
123.00887	2.8
123.04480	1.6
124.01730	1.6
125.02464	36.8
127.00356	1.5
135.04558	1.2
137.02460	15.6
138.03224	1.1
138.06815	1.9
139.00395	4.1
139.07674	5.3
141.01961	12.8
143.05072	1.0
145.03008	0.9
147.04552	1.9
149.02422	2.7
151.00423	1.1
151.04007	1.4
151.07629	3.0
152.01140	1.2
153.01964	12.3
153.09227	3.5
159.06635	0.8
161.02457	6.5
163.03964	1.7
163.21205	0.9
164.01184	0.9
165.01952	6.1
171.04501	1.7
173.02489	1.4
173.06126	2.7
174.03189	2.1
175.03992	7.4
177.01920	6.9
185.05968	1.2
187.04031	1.7
189.05531	2.2
191.03523	2.0
193.05177	1.1
199.03981	1.6
201.01965	1.6
201.96472	0.8
203.03508	1.6
204.04153	1.0
207.06619	1.6
213.05656	2.0
215.07051	1.1
217.05098	6.6
233.04895	100.0
234.05185	3.1
235.06097	2.4
241.05089	2.7
245.00250	0.8
252.06113	0.9
257.04483	2.9
259.06223	3.1
275.05658	2.9
276.28015	0.8
285.04083	8.6
286.04349	1.0
303.05194	11.1
303.09070	97.6
303.14023	4.2
304.09317	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2332
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
51.27298	0.5
51.78432	0.6
52.29683	0.5
55.01651	0.8
55.01884	8.9
59.01374	1.2
60.49157	0.5
69.14993	1.7
69.15421	2.4
95.05035	4.7
98.22531	1.3
109.42290	0.6
125.02436	0.5
134.21213	0.8
136.05347	3.2
149.06081	4.0
157.62782	0.6
163.07625	1.7
180.13708	0.7
221.15450	3.3
226.23889	0.5
234.96436	0.6
247.20618	2.6
249.97127	0.5
303.23306	100.0
304.23648	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0012
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22386	0.3
58.72086	0.3
59.01384	29.3
60.01724	2.8
61.01810	1.1
61.98835	100.0
69.62098	0.8
69.62508	1.3
75.01471	0.3
98.22440	0.5
105.87582	0.5
115.02539	0.5
116.02644	0.8
117.00459	0.4
117.02273	1.6
117.95576	1.0
117.97345	0.6
118.00565	1.0
118.97585	0.7
119.00211	1.5
119.95249	2.6
134.97060	4.0
159.01509	3.8
159.96591	2.6
160.01630	10.8
160.96748	0.7
161.01208	15.3
161.93565	0.5
161.96298	6.9
161.98962	19.6
162.01563	3.1
162.96570	5.8
162.99083	1.0
176.45685	0.3
176.98158	1.4
201.02582	0.8
202.02798	2.9
203.02312	2.5
203.99989	4.0
204.02806	1.0
205.00186	0.5
229.72487	0.3
236.40804	0.4
262.01538	0.6
304.00180	7.2
304.02875	8.9
305.02502	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	46.6
62.61890	0.4
69.95815	0.5
165.55708	0.4
168.13962	100.0
169.14326	3.7
212.12955	5.5
304.19220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0667
Annotation	(-)-Gallocatechin
Peak:m/z	Relative Intensity
53.42046	0.6
57.02383	0.6
57.03451	9.3
59.01384	1.4
67.01897	0.9
68.96725	4.2
68.97145	1.9
69.01843	0.6
69.03452	1.2
71.01358	0.7
81.03474	4.2
83.01394	4.6
83.05015	1.0
85.03010	0.7
88.23408	0.7
89.02470	0.8
93.03458	4.1
95.01396	3.6
95.05045	4.1
95.05549	0.7
97.02958	4.3
98.21720	1.2
107.05045	1.0
108.02158	1.1
109.02966	17.2
111.00894	4.2
111.04526	6.8
113.02476	1.1
115.00355	1.0
121.02966	3.8
123.00895	7.9
123.04537	2.1
124.01686	5.0
125.02457	100.0
126.02817	2.6
131.05022	1.2
133.01472	1.7
133.03003	1.2
135.04514	3.8
137.02457	30.4
138.03181	2.5
139.00414	4.8
139.04025	22.4
141.01939	3.5
147.04520	0.9
149.02467	2.3
149.06067	3.4
151.04025	3.4
155.03554	1.5
155.78993	0.7
159.04559	1.8
161.02464	5.3
162.03325	1.1
163.04095	1.5
164.01181	7.5
165.01949	20.8
166.02586	0.9
167.03516	23.5
173.06123	1.2
175.03990	4.1
175.07704	1.7
176.04857	0.9
177.01923	1.8
177.05566	4.9
178.02724	2.0
179.03497	21.0
180.03949	0.8
181.05060	1.2
186.03275	1.0
189.05618	1.4
191.03532	1.2
191.07150	2.5
200.04718	0.8
200.25850	0.7
201.05582	2.4
203.03574	4.2
204.04269	3.2
218.05891	0.7
219.06647	15.9
220.06996	1.1
221.04544	10.0
233.08279	0.8
237.07684	1.3
243.06633	2.7
246.05334	0.7
247.02536	0.8
261.07706	6.8
269.04654	0.6
287.05649	2.2
298.04639	0.6
305.06683	70.0
306.07025	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0668
Annotation	(-)-Gallocatechin
Peak:m/z	Relative Intensity
54.06804	1.1
54.07148	1.1
56.82644	1.2
57.03445	7.0
59.01373	3.4
67.17920	1.5
69.03448	2.5
71.01360	3.2
71.29842	2.0
72.99338	1.4
78.04433	1.3
81.03442	4.2
83.01387	4.6
85.02932	2.9
86.25179	1.2
89.02428	2.1
93.03450	4.1
95.01405	3.8
95.05019	4.4
97.02958	4.1
101.02448	3.1
107.05018	2.3
109.02956	18.7
111.04539	3.5
113.02430	1.8
119.66823	1.2
120.99648	2.1
121.02953	5.0
122.03749	1.9
123.00887	6.3
123.04514	5.2
123.05371	1.3
124.01677	3.9
125.02455	100.0
126.02791	3.0
132.02161	5.2
133.02971	29.5
134.03563	1.8
135.04497	6.0
137.02466	27.1
137.06085	1.6
138.03127	1.4
139.00333	1.4
139.03047	2.6
139.04027	22.4
149.02457	9.1
149.06140	1.7
150.03214	4.4
151.04010	3.6
153.01962	1.8
161.02408	3.6
162.03255	1.3
164.01152	6.8
165.01939	19.7
166.02448	1.1
167.03505	18.6
175.03998	4.4
177.01933	7.8
177.05638	3.4
179.03505	19.7
191.03442	2.1
191.07175	3.2
201.05663	2.2
203.03500	2.5
204.04305	2.4
208.42992	1.5
219.06633	15.0
221.04553	8.6
237.07777	1.6
243.06638	2.6
245.04529	1.1
261.07553	6.1
287.05386	1.8
305.06686	66.1
305.19391	1.6
306.07086	4.7
314.73355	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0667
Annotation	(-)-Gallocatechin
Peak:m/z	Relative Intensity
56.18596	0.8
57.03226	0.7
57.03451	9.2
58.00579	1.0
59.01381	17.2
69.43156	2.7
69.43565	1.5
71.01386	10.2
73.02937	1.1
77.03913	0.9
80.21455	0.8
81.03466	5.1
81.07087	2.8
83.01382	6.7
83.05048	0.9
85.02959	2.4
89.01956	0.9
89.02457	9.8
89.99187	0.7
93.03460	2.6
95.01415	3.7
95.05031	3.0
97.02966	6.0
99.04514	1.4
101.02449	5.6
109.02249	1.5
109.02962	18.4
111.04485	4.9
113.02444	3.6
113.06088	1.0
119.03499	5.4
121.02964	4.9
123.00896	6.3
123.04518	3.1
124.01679	5.1
125.02457	100.0
125.06045	1.5
126.02794	2.1
133.02974	5.6
133.06587	1.1
135.04546	12.0
137.02451	30.2
138.03192	1.7
139.04030	23.8
140.04301	0.9
143.03542	0.8
147.04535	0.8
149.02498	4.5
149.06073	2.5
151.04012	2.8
159.04498	2.4
161.01292	0.8
161.02411	4.5
162.03236	1.0
163.03979	0.9
164.01193	6.1
165.01952	20.4
167.03505	23.2
173.06047	1.4
175.04022	2.7
177.01947	2.4
177.05540	4.5
178.02734	1.9
179.03500	20.4
179.05807	1.0
191.07152	3.5
201.05598	2.2
203.03413	2.4
204.04239	3.2
215.07159	0.9
218.05748	1.1
219.06615	17.6
220.06979	0.9
221.04544	8.5
232.21458	0.8
233.08415	1.0
235.68629	0.8
237.07646	1.8
243.06577	2.1
247.02388	0.9
261.07666	6.8
282.12460	1.0
287.05609	2.1
305.06686	57.2
305.11957	7.3
306.07010	3.8
313.91492	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18320	0.5
57.03452	0.9
59.01382	37.6
70.93626	1.0
73.02939	0.5
79.95746	3.6
80.96524	1.6
87.00853	0.6
96.96018	100.0
97.06587	0.7
104.69394	0.5
113.02440	0.5
125.02429	1.4
133.02924	0.6
137.02449	0.6
139.00342	1.3
147.08186	2.3
149.02408	0.5
165.09241	0.9
167.03468	1.4
181.12473	0.6
190.85168	0.5
196.04846	0.5
202.02464	0.9
216.97815	0.5
225.11328	21.8
226.11679	1.2
234.91969	0.5
294.31476	0.6
305.07004	69.1
306.07175	2.5
308.59409	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1761
Annotation	Corrin
Peak:m/z	Relative Intensity
55.93348	1.5
59.01370	3.3
69.22984	3.8
69.23397	7.3
71.05028	34.8
81.03455	3.5
85.02843	1.3
93.03456	2.8
95.05036	15.8
104.30474	1.7
106.04247	2.6
107.05032	1.8
109.06592	11.1
111.04530	2.5
121.06622	4.6
123.08169	1.8
127.07682	2.2
127.26384	1.3
137.83371	1.6
147.04538	1.8
147.08188	3.7
149.06126	2.0
149.09708	1.5
150.06892	2.9
161.06178	2.3
161.09729	2.3
161.68369	1.5
165.09227	9.7
189.12859	12.1
205.15997	9.8
233.11824	8.4
243.17661	8.0
249.14987	9.8
259.17041	1.4
261.18512	3.3
263.16428	1.7
269.15588	2.1
275.98752	1.5
287.16556	64.3
288.17065	6.6
305.04373	1.9
305.17618	100.0
306.18158	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1759
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03442	2.5
59.01363	3.6
69.03445	0.9
69.12733	8.2
71.05023	30.3
81.03454	3.2
83.05036	0.8
90.02744	0.7
92.98266	0.8
93.03474	3.6
95.05030	12.6
97.06589	1.4
106.04227	1.8
107.05045	2.2
109.06609	13.0
109.20273	0.8
111.04466	1.4
119.05042	1.6
120.05817	2.4
121.06603	5.9
122.03743	2.0
123.04532	2.5
123.08189	1.3
125.09737	2.6
127.07654	1.9
135.08168	10.7
139.07587	1.5
147.04491	2.5
147.08180	2.6
149.09689	0.8
150.06906	1.4
161.06091	2.9
161.09729	2.5
164.08466	1.3
165.09216	9.1
175.07611	1.4
185.11852	6.7
189.12862	13.2
193.36613	0.7
200.47150	1.0
203.14473	1.1
203.29506	0.9
205.15930	8.1
223.13326	1.2
231.13870	1.7
233.11850	5.5
243.17575	10.8
245.15417	0.8
249.14989	10.0
250.15552	0.9
254.89989	0.8
261.18661	1.8
263.16391	0.9
269.15472	2.1
287.16556	64.9
288.16922	6.0
305.17606	100.0
306.17978	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.176
Annotation	Corrin
Peak:m/z	Relative Intensity
59.01366	3.2
61.98833	3.8
62.92252	1.9
65.03970	2.1
71.05035	4.5
71.29165	3.4
79.05548	12.4
93.03455	3.3
97.06620	13.1
106.04250	8.9
107.05009	2.3
117.30873	2.1
120.05807	5.9
121.06626	3.4
123.08138	3.1
125.09726	18.8
135.08179	100.0
136.08467	2.8
144.04846	1.9
151.78694	2.0
205.15945	4.8
207.10292	2.6
209.11821	2.7
221.11816	2.6
249.14969	48.1
277.08411	2.6
287.16373	4.4
305.08246	2.8
305.17609	72.0
305.21112	4.1
306.17798	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2488
Annotation	ent-Verticillanediol
Peak:m/z	Relative Intensity
57.03432	12.1
59.01381	5.9
61.98834	7.6
65.98486	4.6
69.03201	37.8
71.01388	27.5
71.01715	5.3
72.02164	19.4
73.02958	8.6
81.03459	7.4
87.04518	100.0
127.11273	5.5
133.02963	17.9
139.07669	12.3
140.76898	5.1
153.09175	15.7
177.01974	6.4
189.37155	5.9
211.46169	5.7
261.22171	31.3
269.22809	7.6
287.23828	14.7
290.15286	15.0
305.08221	6.7
305.17651	11.6
305.24902	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69967	7.5
58.02976	16.4
59.01379	37.9
70.11003	8.3
70.62245	13.9
70.62593	9.6
71.01379	24.6
73.02969	9.1
74.02489	36.0
77.76048	6.3
82.02960	10.2
84.88725	6.0
85.02955	19.1
86.02490	16.4
87.05666	15.9
89.02460	22.2
96.96010	32.4
97.04072	8.1
98.22552	6.8
99.05672	30.5
101.02458	13.1
101.06107	8.5
112.58631	9.2
114.60458	6.7
119.03560	7.9
127.05202	7.1
128.03542	87.9
133.02965	15.9
135.04529	18.9
135.05609	10.1
141.06760	8.8
143.04626	100.0
145.02890	8.7
146.04604	10.5
153.06728	11.5
160.00766	23.4
161.02457	13.0
163.04027	13.3
173.02446	6.9
176.03564	18.6
177.03450	10.4
179.03354	9.4
179.04715	21.3
191.03520	11.3
191.05443	7.1
197.87718	8.4
210.08864	16.8
243.18706	6.9
254.07756	36.4
262.07187	15.5
272.08887	45.0
306.07565	45.2
307.04730	48.8
307.08304	13.4
307.12192	20.0
307.14221	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74932	14.7
59.01397	68.4
61.98824	66.5
63.76049	15.2
69.32290	100.0
71.01381	34.4
72.51528	14.4
75.00885	17.1
85.02950	18.4
89.02449	29.3
98.21762	22.0
98.22353	44.8
99.04530	22.9
101.02489	19.8
113.02435	17.5
133.02930	18.5
135.04546	52.8
145.05054	20.1
161.02435	55.9
161.04602	20.2
179.03539	49.9
185.06114	18.3
187.07646	23.8
209.06070	16.4
227.07140	18.7
236.95091	14.6
245.08250	33.3
245.16132	13.6
306.08173	16.4
306.94138	16.8
307.04904	27.8
307.08279	57.0
307.13757	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97514	0.4
63.41978	0.3
69.78236	1.2
74.99079	7.6
82.41149	0.2
86.01224	0.3
91.02219	3.3
93.00130	1.9
99.08310	0.3
143.05339	0.5
149.00974	2.6
159.07199	0.5
159.08478	6.6
160.08641	0.3
161.06389	1.5
177.38033	0.3
192.98148	0.5
195.08337	0.3
206.99670	1.3
209.01289	2.9
217.07195	0.8
223.02843	48.9
224.02937	3.2
225.00642	0.4
233.92813	0.3
241.03947	0.6
256.33670	0.3
289.07550	2.0
291.09116	100.0
292.09225	9.6
297.07098	0.3
297.86115	0.3
298.32855	0.3
307.12299	2.2
309.10150	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61079	0.4
63.97473	0.4
66.19530	0.4
69.01392	4.4
74.99081	6.4
91.02212	2.4
93.00127	2.5
98.22559	1.0
107.08565	0.4
111.94920	0.4
114.02247	0.5
135.04515	1.1
149.00955	2.4
159.08470	7.3
161.06433	1.5
172.82800	0.4
179.03517	1.6
179.78198	0.4
190.19620	0.5
192.98198	0.5
206.99693	1.8
209.01274	2.8
217.07214	0.9
221.58826	0.6
223.02844	47.3
224.02901	3.1
241.03952	0.8
253.82204	0.5
275.05988	0.5
289.07492	2.1
289.18188	0.7
291.09116	100.0
292.09235	11.7
307.12234	2.2
307.19165	0.7
309.10181	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15960	0.9
55.01865	1.7
57.03471	1.0
58.00596	2.3
59.01382	47.5
69.48138	5.3
69.48540	1.6
71.00986	1.2
71.01385	24.3
71.51344	0.7
72.99313	0.9
73.02947	3.0
83.01395	2.6
83.38116	0.8
84.02215	1.0
85.02953	7.0
85.49072	0.9
87.00887	1.6
89.02448	22.8
95.01395	1.9
96.96037	0.9
99.00871	1.5
99.08172	22.6
101.02444	18.2
113.02456	10.7
116.35060	0.9
119.03506	8.0
121.79015	0.9
122.93020	0.8
127.07655	4.7
129.09213	2.3
141.09236	1.9
145.08716	66.5
146.09071	2.6
159.03018	0.9
161.04597	2.5
179.05721	1.2
187.09779	3.0
307.14017	100.0
308.14337	5.9
309.24799	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.6
57.03426	1.4
59.01382	100.0
68.78352	1.4
69.38491	3.0
69.38897	7.9
71.01386	25.1
72.99336	1.7
73.02937	2.8
75.71394	1.3
80.96538	2.7
83.01418	2.0
85.02968	7.5
87.00894	1.6
88.04052	11.0
89.02451	22.4
89.48035	1.7
90.66566	1.4
95.01402	2.3
96.96026	5.4
99.00928	2.1
99.08172	3.1
101.02451	15.8
108.83360	1.3
109.03004	2.0
112.63980	1.3
113.02464	9.3
113.04365	2.4
115.00393	4.1
119.03526	5.9
127.07684	6.7
132.03040	34.4
134.03770	4.5
135.04536	36.1
135.05537	2.7
136.04935	1.5
145.08707	16.0
161.02469	2.7
179.03528	35.1
180.03618	4.8
193.05031	2.4
199.68010	1.4
219.10677	3.9
261.99136	1.4
275.35223	1.6
307.08307	9.1
307.14069	83.6
308.07956	2.9
308.14487	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	11.3
55.39765	1.4
57.03455	8.0
58.00595	5.4
59.01382	93.9
66.91765	1.6
69.18198	6.7
69.18606	4.5
71.01384	100.0
72.99321	7.7
73.02952	33.0
75.00868	2.0
79.95745	3.7
80.96532	14.3
83.01395	20.5
85.02959	43.7
86.00083	1.9
86.61531	1.5
87.00863	6.5
89.02444	35.1
95.01406	8.1
96.96012	6.4
97.02911	4.0
97.06609	2.9
98.95583	3.4
99.00890	15.3
99.08161	15.6
101.02451	93.7
109.02953	1.9
111.00895	3.9
113.02452	43.2
119.03518	14.3
119.05051	1.7
125.02455	1.7
127.07675	3.4
129.01936	1.9
133.25536	1.8
135.04533	16.1
136.01691	3.0
141.07452	3.2
143.03503	3.0
145.08711	43.4
145.12375	2.8
145.91537	1.5
151.04021	2.7
159.03009	10.5
161.04570	38.1
179.03506	15.5
179.05081	2.1
179.05579	1.9
264.55399	1.8
269.01227	3.3
307.05118	9.0
307.08359	3.1
307.13956	57.4
307.17645	24.6
308.14447	2.9
308.17896	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.5
59.01377	9.0
69.03890	26.2
71.59891	2.6
73.33495	2.7
86.17384	3.3
95.05013	4.2
97.02953	3.8
97.06591	5.4
98.22628	5.1
106.04268	4.5
107.08666	4.3
109.06581	4.3
121.06612	9.1
123.04501	4.5
123.08141	6.1
125.09748	13.9
126.92270	3.4
135.04549	30.0
135.08163	10.7
137.09743	7.0
151.11250	4.4
153.09229	11.7
155.10789	4.9
161.02463	2.7
163.11275	7.9
165.12872	3.4
171.10257	25.3
179.03526	25.7
181.12302	7.1
185.11847	39.5
191.14417	12.2
197.11987	4.0
207.10410	4.6
209.11815	10.3
225.11293	4.9
245.19203	27.7
249.14948	6.2
263.20093	7.5
266.86804	2.7
271.16928	6.5
279.19830	4.4
289.18103	83.1
290.18488	6.4
307.19156	100.0
308.05878	2.8
308.19388	10.1
308.47458	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26739	5.4
57.03448	7.6
59.01377	10.5
63.96951	5.6
65.03967	48.5
68.32495	4.7
70.61288	15.7
71.05027	32.5
83.05003	7.3
89.39814	5.8
93.03461	15.1
97.06588	60.3
117.07104	7.9
119.08678	22.4
121.06605	100.0
125.09745	52.3
133.06693	5.7
135.04543	18.2
135.08173	60.2
137.09726	7.0
161.02400	7.5
163.11249	6.8
171.10280	52.7
179.03479	14.7
185.11850	86.0
191.14513	9.2
209.11844	39.0
211.13358	32.6
235.13396	83.5
245.19128	16.2
249.15074	6.2
264.60724	5.1
289.18112	91.6
290.18399	11.6
307.19128	86.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87680	1.6
55.01867	3.6
57.03442	3.7
64.64645	1.5
65.03615	3.0
65.03967	60.6
70.95370	3.4
71.04666	3.0
71.05030	35.7
73.67449	1.9
81.83892	1.9
86.53906	1.7
97.06598	63.2
98.06925	2.9
119.08668	9.5
121.06606	100.0
122.06932	2.8
123.08163	2.2
125.09733	44.3
135.04543	7.1
137.09714	3.0
139.92679	1.8
141.12880	2.6
179.03502	8.7
185.11844	66.9
186.12207	2.6
191.14363	2.1
202.35860	1.7
209.11861	35.3
211.13419	31.7
212.13596	2.4
235.13409	94.5
236.13693	6.2
282.55920	1.9
289.18097	17.1
307.15826	3.9
307.19156	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03447	4.6
59.01371	3.7
69.03453	1.8
69.09291	1.6
70.93320	3.0
71.01337	2.5
71.05013	3.2
73.38737	1.8
80.02670	7.2
81.03465	2.6
83.05023	9.9
84.02184	3.5
93.07102	3.9
95.05029	3.8
97.06595	7.6
106.04253	6.7
107.08678	3.0
109.06565	2.9
111.08164	2.7
121.02950	2.4
121.06612	13.1
123.04563	3.4
123.08154	7.7
125.09730	16.8
127.07784	2.3
127.11278	2.2
135.04535	9.1
135.08185	40.2
136.08499	2.1
137.09767	11.6
139.11299	2.6
145.06586	2.6
149.09691	2.1
151.11272	6.6
153.09198	12.9
153.12918	2.1
155.10751	4.5
159.08157	2.6
165.12830	2.6
171.10295	56.3
172.10681	2.3
179.03506	12.3
179.10727	3.2
185.11845	38.5
186.12102	2.2
191.14394	2.9
193.12328	4.5
199.13402	6.3
209.11818	5.0
211.13451	13.0
212.10526	2.2
245.19035	21.7
261.18561	8.1
262.18719	2.1
263.20157	8.9
271.16913	4.8
279.19852	4.9
289.18097	56.2
290.18472	2.7
307.15869	3.4
307.19159	100.0
308.19446	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	9.8
59.01369	12.2
61.98829	4.4
69.03427	4.0
71.01390	6.5
80.02675	4.5
83.05025	6.6
93.07111	4.0
97.06609	20.5
100.68483	3.2
106.04240	5.3
109.06588	4.8
111.08152	9.4
121.02959	4.1
121.06596	14.9
125.09718	14.5
127.11311	3.9
135.04523	10.2
135.08177	12.2
137.09680	7.5
137.54442	3.6
149.09718	4.0
151.11279	15.7
153.09200	15.0
155.10805	16.3
163.11295	4.1
165.12859	25.3
167.10818	6.4
169.12314	4.0
169.78561	3.1
171.10287	39.2
179.03548	5.7
179.10812	7.6
181.12331	17.6
185.11836	48.0
191.10776	6.7
191.14397	7.3
197.11812	5.8
209.11862	40.2
209.17776	3.7
211.13370	8.4
212.10481	4.1
224.10437	4.3
225.11398	3.6
245.19128	42.1
261.18552	8.7
263.20160	11.1
279.19678	8.9
289.18158	50.1
289.40686	3.9
290.18256	5.3
307.19171	100.0
307.22781	5.4
308.19507	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1918
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.20504	2.8
54.06014	2.7
57.03450	8.2
58.09658	2.9
59.01379	7.0
64.02332	3.0
66.70950	2.6
69.03448	2.7
69.10332	16.1
69.10748	7.4
71.01389	3.9
72.78318	2.8
78.44077	2.6
83.05048	5.6
95.05033	3.1
97.06633	15.9
108.99178	3.0
109.06620	4.5
111.08160	8.9
135.04539	5.6
137.09697	3.4
151.07611	3.2
151.11295	19.6
155.10764	15.2
163.11308	4.1
165.12849	20.3
167.10683	4.7
169.12381	4.3
177.12790	5.3
179.10832	5.6
181.12354	20.3
191.10672	4.3
191.14349	8.3
197.11913	3.5
205.12195	4.1
209.11855	29.0
211.13417	8.1
226.12131	4.4
235.20734	4.0
245.19138	41.6
246.19556	3.4
263.20071	13.8
279.19742	3.4
289.18085	50.2
290.18573	9.0
307.19162	100.0
308.19644	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71090	1.0
57.03449	5.8
59.01387	7.2
67.01873	2.2
69.02778	8.6
69.03185	2.1
69.03451	2.0
79.95716	1.3
80.02675	2.7
81.03472	6.5
83.01380	5.5
83.05029	3.3
93.03465	1.1
95.01425	1.5
95.05051	5.7
97.02949	5.6
97.06609	8.6
98.21767	1.6
106.04258	2.8
109.06590	3.0
119.08730	1.4
121.06598	3.0
123.04556	11.3
123.08163	3.6
125.06042	1.9
125.09737	17.1
125.85459	1.0
135.04518	3.2
135.08176	5.2
137.06151	2.8
137.09738	12.2
141.12846	3.4
142.02711	1.6
145.06543	1.2
149.06093	3.8
151.11247	1.8
151.79021	1.1
161.09796	1.1
163.07622	3.3
163.11304	17.5
165.12917	2.0
167.10770	1.2
171.10254	1.9
179.03406	1.6
179.10872	2.8
181.12334	3.7
185.11847	24.3
187.11403	1.1
191.10773	3.3
191.14459	19.6
202.13669	1.2
207.10304	10.5
207.14279	1.2
209.11830	27.0
210.12204	2.1
211.13461	1.3
217.16026	1.6
225.11351	12.0
227.18117	1.6
233.15469	1.7
237.11456	1.6
238.36076	1.1
243.17673	1.5
245.16589	2.5
245.19112	46.9
246.19313	2.8
263.20209	3.3
271.17050	4.8
276.86353	1.2
289.18106	100.0
290.18427	7.4
307.19159	61.9
307.22809	1.6
308.19421	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59450	1.7
59.01376	2.8
70.48479	3.9
71.05023	5.9
81.03463	3.6
83.05025	3.7
87.14983	1.6
108.40688	1.7
109.06592	13.0
111.04530	7.0
127.07651	4.6
135.04520	4.6
137.09769	2.1
143.10757	1.8
145.06563	1.9
167.10829	2.0
179.03491	3.5
181.33621	1.8
195.13989	2.0
245.19107	4.9
249.14957	3.6
275.55249	1.9
287.16653	2.6
289.18127	100.0
290.18445	8.4
307.19165	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2646
Annotation	Viteagnusin D
Peak:m/z	Relative Intensity
53.80307	3.5
57.03450	7.1
69.02769	9.2
69.03166	31.8
71.01377	23.0
72.02155	21.1
73.02942	4.9
79.64492	3.5
87.03981	6.7
87.04517	100.0
91.93377	4.0
92.39200	3.5
99.04516	8.2
128.54799	3.8
135.04526	13.2
139.07692	9.7
155.14412	16.5
161.02435	4.0
169.16020	9.3
179.03500	9.1
249.55486	4.1
263.23843	46.9
264.24222	6.2
271.24399	6.4
277.25446	8.5
287.22415	3.6
289.25458	16.5
305.24805	3.8
307.26465	69.8
308.26770	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09090	0.4
55.64406	0.3
59.01374	1.5
59.96781	0.4
61.98832	3.7
78.95905	3.5
96.96971	5.1
98.22624	0.7
122.93099	0.6
123.00514	3.3
124.98444	48.0
125.98537	2.5
134.96077	0.4
136.94023	4.8
136.96788	1.3
137.94128	1.0
138.93735	4.9
138.96500	0.9
158.92537	0.4
164.93486	1.0
164.96313	2.5
165.92923	0.5
165.96112	0.4
166.92024	5.2
166.93251	2.2
166.96092	2.3
166.99495	100.0
167.99628	6.5
168.01086	0.6
176.98163	2.0
178.95053	2.4
178.97739	0.7
179.95117	1.0
180.94760	2.7
206.97443	0.4
264.95465	0.4
280.95035	2.8
308.94437	3.9
308.97617	0.7
309.00784	1.0
309.94464	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1195
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01875	1.0
56.33097	0.7
57.03457	1.2
58.00589	2.4
59.01384	57.5
62.63552	0.8
62.71188	0.6
68.22487	0.6
69.29472	4.7
71.01385	31.4
71.05011	1.4
72.01670	0.7
72.99316	4.5
73.02946	3.2
75.00848	0.9
78.95904	6.2
83.01392	1.5
83.05027	2.5
85.02959	6.7
87.00866	1.2
89.02455	28.8
90.02764	0.7
93.03483	1.1
95.01386	2.2
96.96011	6.9
96.96978	4.1
97.48586	0.7
98.85277	0.8
99.00900	1.2
99.04541	1.3
101.02453	23.5
101.06084	2.3
111.04528	2.2
113.02469	10.8
119.03508	14.5
119.04945	1.1
121.53080	0.7
129.05595	20.9
130.08754	0.8
131.03513	0.8
131.08269	7.7
135.04504	1.2
143.03506	1.6
143.30565	0.7
147.06657	8.1
150.04152	0.9
161.04573	1.5
166.92006	1.7
166.99428	1.2
167.02007	1.1
173.04572	1.6
173.10472	3.9
179.05579	2.5
191.84587	0.7
248.01149	0.7
249.00166	0.9
250.03511	1.2
266.94504	1.0
268.04626	0.7
273.49521	0.7
280.33325	0.7
309.11920	100.0
310.12177	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98844	0.5
69.04040	1.3
69.04469	1.5
73.32770	0.4
103.39704	0.4
148.05315	43.0
149.05753	1.7
151.04025	0.7
151.07661	1.0
152.08453	0.5
165.05551	1.2
179.01743	7.3
180.04294	100.0
181.04623	4.5
182.04691	0.7
197.02750	0.8
209.15456	1.9
257.15521	0.9
265.18271	0.6
283.60834	0.4
291.19833	1.0
309.15369	3.0
309.17358	1.7
309.20862	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
54.92481	1.8
57.03444	3.5
64.88819	1.7
67.01881	2.0
69.03438	2.5
69.08184	13.7
69.08588	2.2
71.04991	1.9
77.92577	1.8
79.95713	2.0
80.02678	12.0
81.03455	6.6
83.01396	2.3
83.05031	28.8
84.02173	15.4
95.05038	2.8
97.06603	4.6
98.22630	3.0
99.08159	6.6
111.08123	3.0
113.09687	3.1
115.07639	3.8
123.04518	4.3
123.08140	2.0
125.09720	8.6
127.11283	4.6
135.08038	2.2
137.09731	45.8
138.10066	2.3
139.11310	11.7
151.07660	6.4
151.11273	4.6
152.08464	3.8
153.09198	8.5
154.00690	2.6
155.10782	49.4
156.00374	5.4
163.11208	2.1
165.12859	4.7
167.10696	2.6
171.10274	58.1
193.12335	25.1
209.11824	10.4
209.15477	7.8
211.13428	5.4
247.20695	7.5
263.20285	4.9
265.21799	6.3
290.20969	1.9
291.19678	100.0
292.19989	8.0
309.17188	7.9
309.20709	83.3
310.21115	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
57.03448	3.3
58.00606	2.4
59.01394	2.3
66.54796	2.0
71.32972	2.1
80.02679	7.6
83.04993	3.7
95.39510	2.1
97.06580	3.3
99.00874	5.0
123.08183	20.2
125.09727	16.4
127.11273	8.4
137.09747	13.6
139.11304	7.2
141.09283	2.6
141.12886	2.9
141.22133	2.1
151.04030	9.7
151.07660	10.7
152.08450	10.9
153.09154	3.1
155.09586	3.7
155.10789	46.9
161.69922	2.2
167.10840	6.4
171.10292	100.0
172.10588	3.7
183.10249	2.1
184.07385	3.4
185.11845	88.8
193.16028	3.9
194.17145	2.3
209.15459	20.4
212.10547	5.2
247.20586	5.6
252.09938	3.1
263.20242	10.7
265.18097	2.5
265.21805	4.3
281.21198	16.9
291.16473	4.0
291.19678	38.2
309.17056	29.7
309.20718	38.8
310.17526	2.4
310.21103	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
59.01372	0.8
61.02185	0.8
66.87148	0.8
69.17757	7.0
71.03091	0.9
83.05035	0.9
97.06592	1.8
113.09723	2.9
115.07656	2.0
139.11325	1.4
141.09212	1.9
153.12862	0.9
165.12816	3.5
167.14409	2.1
176.11920	0.9
181.12332	3.7
183.13942	1.2
193.12296	2.4
195.13922	2.5
211.13399	4.5
213.15106	1.1
221.15524	2.8
240.13742	1.6
243.11349	1.0
247.20673	4.5
269.66547	0.9
273.18616	2.9
281.21210	2.2
291.19681	45.8
292.20010	4.9
309.20737	100.0
310.21072	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22050	0.8
54.82229	0.7
57.03440	2.2
59.01374	1.5
69.03462	1.4
69.54993	4.9
71.05012	1.0
81.03476	1.0
84.02183	0.9
84.03207	0.8
95.01397	1.4
95.05025	1.0
97.02961	1.6
97.06607	1.4
98.37411	0.9
98.69092	0.9
99.00896	2.1
109.06598	1.1
110.03790	1.0
110.25558	0.7
111.08164	3.3
111.56360	0.9
116.15960	0.8
123.04558	1.3
123.08196	1.4
125.06057	0.8
125.09730	2.2
127.07672	1.0
137.09770	1.2
141.12839	1.3
142.64191	0.9
151.04021	6.0
151.07655	8.4
152.08449	11.3
153.12892	1.6
162.10567	1.1
163.11325	4.5
165.09221	0.9
165.12886	7.2
171.10249	1.3
179.14420	3.3
181.12399	2.6
182.13083	0.9
184.07394	1.7
185.11969	1.4
193.16014	1.8
197.11798	7.6
208.10982	1.4
209.11832	2.3
209.15463	17.4
211.13492	1.3
223.13432	4.0
247.16997	1.0
247.20709	7.3
252.10023	3.2
265.18088	3.1
266.18314	1.0
273.18564	2.2
280.30154	0.9
291.19678	100.0
292.20074	8.7
309.17102	27.1
309.20721	86.2
310.17456	2.1
310.21124	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45310	1.3
58.28794	1.4
69.03459	2.2
69.70355	5.7
83.05043	1.5
93.07111	1.3
98.22485	1.8
111.08172	37.7
127.07647	3.0
137.09773	6.4
151.07613	2.1
153.12839	1.8
162.80672	1.3
169.12349	6.5
171.10291	11.0
181.12305	1.8
183.13908	1.7
197.11844	100.0
198.12096	3.9
199.13387	4.1
201.11238	1.6
208.69427	1.4
209.15514	5.0
211.13367	10.2
227.12918	3.6
251.28499	1.6
263.20221	4.7
265.17908	3.0
273.18497	3.9
291.19675	19.0
292.20120	1.7
309.17105	6.1
309.20673	34.0
310.21121	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Gallicynoic acid D
Peak:m/z	Relative Intensity
58.00583	1.3
69.03445	2.2
70.32733	2.8
76.99776	1.1
82.72391	1.1
103.88205	1.2
111.08175	32.8
114.73912	1.3
127.07675	3.1
131.02266	1.1
131.37448	1.0
151.11319	1.8
152.08391	1.6
153.12889	1.9
167.10841	1.3
167.68146	1.1
169.12381	6.9
171.10281	3.3
181.12358	2.4
183.13921	1.8
185.11784	1.5
197.11836	100.0
198.12158	5.0
199.13422	3.7
209.15489	3.3
211.13451	11.9
227.12962	2.6
236.85716	1.3
263.20114	7.3
265.18112	2.2
273.18637	2.3
291.19699	19.6
292.19946	1.4
309.17062	6.3
309.20599	35.1
310.20889	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31008	0.8
57.03431	1.0
57.18383	1.0
59.01374	1.0
61.69332	1.1
69.03072	8.9
71.01360	0.9
82.08714	1.0
83.05036	0.8
86.15386	1.0
98.22651	1.5
111.08166	3.8
125.09698	1.5
127.11314	1.4
133.79189	1.0
144.26620	0.8
153.12872	4.6
155.10783	3.4
160.52719	0.9
165.12830	1.1
167.10783	2.8
167.13118	0.9
169.12317	1.7
171.10202	0.9
179.14429	1.9
181.12312	4.4
193.15829	1.1
197.11874	5.4
199.13419	1.5
207.13876	2.6
215.12807	1.1
219.53137	0.9
227.13036	1.5
228.13652	1.2
247.20694	4.9
273.18628	2.1
281.21375	1.4
291.19678	44.5
292.19998	3.6
309.20734	100.0
310.21063	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
57.03442	2.4
59.01377	1.8
64.49965	1.4
69.03491	1.6
70.93301	2.7
81.03468	3.4
82.46150	1.5
83.01389	7.9
83.05037	5.7
95.05038	1.9
97.02956	2.1
97.06596	3.8
109.02953	1.6
115.76060	1.4
120.06676	1.4
123.04512	3.0
123.08149	6.6
125.06102	4.1
125.09740	8.9
127.11333	2.3
135.08261	2.2
137.09706	1.7
139.11304	14.0
163.11282	10.4
165.12854	16.0
167.10764	5.0
168.11624	1.5
171.10275	2.5
181.12383	3.3
183.13983	1.9
185.11809	2.8
193.16005	6.8
195.10335	1.7
207.10289	1.8
209.11853	49.7
247.20673	13.8
265.21661	3.0
273.18668	4.7
291.19684	100.0
292.19888	7.3
309.17252	4.3
309.20718	37.7
310.21118	2.7
312.55951	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
51.83320	1.0
56.16121	0.8
57.03446	2.0
59.01376	2.2
67.96431	1.0
71.05023	11.7
71.31977	1.7
73.61802	1.0
77.59685	1.3
83.05022	0.9
83.29307	1.0
95.41544	0.9
97.06585	3.9
111.08213	1.5
115.97972	1.0
118.67378	1.0
121.10246	2.4
125.09734	2.0
126.00199	1.1
135.08170	1.2
137.09723	13.2
151.78287	1.0
153.12836	2.0
171.08795	2.1
171.10275	31.9
179.14265	1.5
181.12402	1.9
185.11874	5.1
194.00342	0.9
197.11804	4.4
204.92018	1.1
207.13823	2.1
209.15353	1.5
219.13847	1.1
219.83429	1.0
233.15437	1.6
237.15002	2.2
247.20644	3.4
251.16515	11.1
265.18170	1.1
273.18652	1.9
291.19672	49.9
292.20016	3.0
309.20706	100.0
310.20975	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28160	3.6
59.01370	5.3
61.98826	6.7
62.76849	3.6
63.83867	3.4
69.21404	23.4
81.32273	3.1
121.10226	7.2
125.09718	5.7
166.40903	4.2
171.10233	4.9
185.11845	13.7
188.63274	3.9
211.13420	66.3
291.19656	100.0
292.19812	9.6
309.17349	6.2
309.20676	30.7
333.83231	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.5
58.16170	1.4
59.01374	3.0
69.03452	3.9
69.78765	1.5
71.03625	2.3
83.05035	2.3
88.46289	1.3
107.08656	1.8
111.08204	2.8
117.92378	1.4
119.08669	14.2
119.13128	1.2
120.03622	1.6
125.09737	7.4
127.11320	2.7
135.08192	2.0
136.10928	1.4
137.09741	30.8
139.11383	2.0
151.04083	3.6
151.07678	4.7
152.08478	4.6
153.09041	1.7
155.10791	5.3
162.10539	1.5
167.10794	5.2
171.10286	100.0
172.10646	4.0
183.10304	4.6
185.11853	23.1
186.12086	2.1
195.10294	2.6
197.11833	5.3
201.11412	7.8
209.15443	8.6
211.13364	2.4
213.11301	10.2
229.19577	2.1
232.51389	1.4
234.85690	1.5
252.10005	2.2
265.18246	2.2
273.18558	7.2
291.19684	41.3
292.20090	2.2
309.17114	13.4
309.20746	37.0
310.20969	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
56.83655	1.7
57.03428	2.5
63.05753	1.9
65.00206	1.9
65.46233	1.6
67.52016	1.7
71.05013	3.5
80.02683	10.2
81.03433	4.8
83.05038	26.6
84.02181	11.1
97.06589	4.1
99.08160	5.9
115.07641	4.7
123.04510	2.7
123.08108	2.6
125.09718	5.1
125.83578	1.8
125.91968	1.8
127.11266	6.4
137.08769	3.2
137.09738	42.1
139.11253	7.8
148.05244	3.6
151.03972	3.5
151.07623	6.2
151.11259	5.4
152.08405	2.9
153.09164	9.7
155.09604	2.7
155.10809	46.7
156.11142	2.7
161.03639	1.9
167.10806	2.7
171.10280	43.9
180.04276	12.0
181.52708	1.8
193.12309	25.7
195.13768	2.4
209.11690	4.0
209.15398	6.5
211.13368	5.9
247.20676	6.0
263.20013	6.2
265.18826	2.0
265.21710	8.3
265.61417	1.7
291.19675	100.0
292.19843	8.5
309.17047	12.5
309.20648	81.2
310.21024	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	6.6
59.01380	11.9
69.05314	23.9
69.05732	16.8
71.05031	21.9
78.71487	4.3
97.06586	8.4
98.21878	7.6
115.52863	4.4
118.67300	3.9
121.10231	16.5
125.09747	11.2
129.33510	3.6
137.09720	23.9
146.44179	3.8
171.10284	41.1
185.11810	17.6
185.76344	5.9
220.75462	3.9
251.16548	52.0
272.97910	4.5
291.19647	100.0
291.57086	4.9
292.19812	5.7
309.17111	6.6
309.20712	93.9
310.20941	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	2.4
59.01394	2.9
61.96070	2.2
62.84529	2.3
63.47569	1.7
69.03453	7.2
70.32648	1.9
70.32959	3.7
77.21157	1.7
83.05070	2.8
93.07125	2.0
119.08671	20.6
125.09739	7.6
127.11301	3.4
133.59113	1.7
137.09720	37.5
139.11273	2.2
140.05582	1.6
151.07660	3.9
152.08421	3.9
155.10785	4.6
164.81244	2.0
167.10736	3.7
171.10280	100.0
172.10631	3.4
183.10271	6.4
185.11842	24.3
197.11856	8.5
201.11388	8.4
209.15485	4.6
211.13394	2.5
213.11325	9.8
229.19658	3.7
247.20724	2.7
273.18591	11.6
291.19623	28.1
292.20108	2.3
309.17111	11.2
309.20645	59.3
310.21216	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
51.48195	2.8
57.03445	6.8
57.76089	2.7
59.01373	4.7
61.98819	7.9
69.53580	7.3
69.53967	4.9
80.02668	8.6
84.02159	3.4
92.92810	3.6
95.46413	2.9
97.06593	5.7
111.08189	3.1
113.07494	2.7
121.02955	3.0
123.08170	19.9
125.09760	19.4
127.11335	4.9
137.09729	15.2
139.11272	7.0
141.09235	3.0
151.04007	4.8
151.07634	11.8
151.11298	4.0
152.08424	9.9
153.09229	3.8
155.10786	51.8
155.93446	2.9
156.11110	3.4
165.12866	3.7
167.10805	6.4
171.10277	97.2
172.10435	3.3
185.11830	100.0
186.12079	4.3
198.91162	3.1
209.15491	12.6
212.10605	3.3
225.02548	10.4
247.20656	8.9
263.20108	9.9
265.21594	3.3
281.21292	15.4
291.19669	39.8
293.09009	27.9
294.08878	3.1
309.17056	21.7
309.20700	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.3
59.01387	9.7
69.23667	8.5
71.01371	3.0
72.99290	2.1
75.00879	42.4
83.01400	1.3
85.02944	3.3
93.03416	1.2
101.02448	1.3
109.02940	1.7
118.60412	1.1
119.05040	26.0
120.05390	1.4
122.22623	1.0
129.01967	8.5
131.03497	5.2
133.02989	2.0
135.04526	6.1
137.02472	6.4
142.55148	1.0
147.03026	4.4
149.04562	30.1
161.02435	6.8
163.02744	1.9
163.04025	27.8
164.04390	1.2
164.31410	1.1
165.04059	100.0
166.04375	1.9
179.03529	4.2
237.08513	1.0
261.45325	1.2
281.32394	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0985
Annotation	6-O-beta-D-Xylopyranosyl-D-glucose
Peak:m/z	Relative Intensity
55.01881	1.6
57.03452	2.2
58.00587	3.2
59.01384	74.3
61.18863	0.9
69.03452	3.7
71.01389	44.7
71.28928	1.9
72.99300	4.3
73.02935	6.8
74.90443	1.1
75.00861	3.0
78.95914	2.8
83.01393	2.2
85.02966	9.8
87.00871	3.0
89.02453	57.1
92.98781	1.2
93.03475	4.1
95.01405	3.3
96.96021	23.5
96.96990	2.8
98.95602	10.9
98.96455	1.9
99.00905	8.2
101.01817	2.2
101.02452	30.2
113.02481	15.7
119.03511	21.2
121.40990	1.0
126.98888	1.9
131.03514	10.8
136.94008	4.0
137.02414	1.6
143.03496	1.3
144.70232	1.2
149.04573	3.6
154.54649	1.1
161.04556	2.4
173.04549	4.2
179.05579	2.0
191.05704	2.6
206.95461	3.1
215.02367	2.3
218.93799	1.1
288.19400	1.2
292.98376	1.2
293.08746	1.4
311.09869	100.0
312.10269	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19335	1.7
57.03447	2.6
59.01384	100.0
66.03559	1.5
67.73757	1.6
69.64188	4.1
69.64580	3.2
71.01388	12.0
72.99286	2.1
73.02930	2.5
78.95888	4.4
79.71584	1.7
83.01406	2.7
83.85497	1.4
85.02963	6.6
87.00889	6.2
89.02458	7.6
93.03445	2.1
96.96024	2.3
98.21857	3.1
101.02441	13.2
107.48198	1.6
113.02440	7.7
119.03544	2.5
122.06129	2.9
124.05340	2.8
125.06094	6.9
126.98148	1.6
126.98911	11.5
131.08347	1.6
134.03743	20.5
134.04750	13.4
135.04132	1.9
136.07715	2.4
139.07655	6.0
142.00003	4.1
149.04820	2.2
149.06061	17.0
150.05574	14.9
150.06459	1.5
152.07263	2.1
161.04559	9.8
161.09785	2.2
168.99985	3.1
169.89684	2.0
169.99457	7.4
184.01128	2.0
191.05641	3.1
191.10742	1.9
206.95493	6.1
224.96666	3.7
239.12921	3.9
251.11362	16.5
311.09378	4.0
311.12692	2.6
312.10852	6.8
312.45737	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08041	0.2
63.72824	0.2
68.98138	2.3
78.10229	0.2
79.09076	0.2
79.95711	1.5
88.03290	0.2
98.95595	0.4
99.33167	0.3
108.27504	0.3
119.05050	1.1
142.07652	0.3
170.00488	1.2
183.01224	47.4
184.01944	4.8
197.02744	1.9
211.04314	0.5
216.00977	3.3
225.05978	0.6
230.02533	0.7
239.07516	0.6
247.20689	0.4
311.16898	100.0
312.17252	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1867
Annotation	Pulicanol
Peak:m/z	Relative Intensity
53.33702	1.0
59.01096	1.6
59.01385	30.0
63.57917	0.9
65.75774	0.8
69.10148	7.8
71.07883	0.8
72.99296	2.6
98.22372	2.8
138.02827	0.8
175.14935	5.6
176.15277	0.9
180.62338	0.8
193.16022	3.5
205.16052	5.2
207.17307	0.7
221.15521	7.3
233.15526	7.4
251.16528	9.5
269.17593	100.0
270.17935	6.3
311.18805	15.7
311.22293	1.7
312.19040	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.38960	0.8
55.29316	0.8
58.00599	11.2
59.01369	1.9
62.58736	0.7
63.82782	0.9
73.02941	2.0
79.21513	0.7
81.40786	0.7
93.24941	0.7
99.63631	0.7
109.06598	2.5
125.26720	0.7
127.07669	7.8
181.12329	1.3
183.13916	27.5
191.83266	0.7
195.13933	2.8
211.13373	2.1
213.14980	7.9
223.13382	2.6
228.84637	0.9
241.14453	10.2
266.02307	2.0
275.20197	2.1
281.04459	1.6
293.21280	12.6
296.06909	3.0
311.22302	100.0
312.22601	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
51.15663	0.8
57.03440	2.5
58.00587	1.4
59.01366	1.7
61.09784	0.9
70.32834	1.6
70.33200	2.0
71.87896	0.9
97.02991	0.9
99.08150	4.2
102.31380	1.1
109.49499	1.0
111.08225	1.0
113.09748	4.7
125.09734	0.9
127.07608	0.9
129.09235	9.1
137.09665	0.9
139.11330	2.8
151.11186	1.3
155.10823	1.1
160.56624	0.9
169.12314	3.7
171.10258	11.4
181.12344	8.1
183.13913	2.4
185.11775	2.1
193.12350	2.9
197.11832	16.0
199.13342	7.8
211.13400	26.9
212.13817	1.0
227.12920	0.9
249.22127	1.7
265.21802	1.0
275.20135	2.6
293.21210	23.9
294.21606	2.4
300.05557	1.0
311.22290	100.0
312.22659	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
55.72919	1.1
57.03447	2.2
57.19947	1.2
57.51632	1.2
65.89899	1.1
69.13626	12.2
79.08182	1.4
98.21803	2.5
99.08182	1.4
113.09834	1.3
119.35925	1.3
121.10256	1.5
123.08186	1.4
125.09753	3.6
127.11303	4.6
129.09238	1.5
139.11296	11.2
155.10785	2.3
159.86789	1.3
165.09151	1.5
169.12401	1.6
171.08791	2.5
171.10289	51.8
181.12289	2.2
183.10266	4.2
183.13713	1.2
185.11882	7.6
191.95103	1.2
197.11823	4.9
199.13341	2.3
201.11365	8.4
211.13448	9.2
233.98058	1.3
249.08554	1.2
275.20294	4.2
293.21310	19.6
294.21692	1.7
311.22296	100.0
312.22440	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03437	2.6
59.01379	2.0
64.91194	1.2
78.36619	1.3
83.04989	1.5
97.02940	2.5
99.08147	2.5
113.09728	3.5
114.79206	1.1
115.37177	1.3
118.10425	1.3
121.10273	2.5
125.09687	1.6
129.09181	3.5
139.11288	6.4
157.00861	1.5
171.10306	20.2
181.12431	1.6
183.13950	2.4
185.11853	2.2
193.12350	13.6
194.93852	1.4
197.11855	2.5
211.13431	11.1
228.89986	1.7
249.22357	1.6
283.09802	1.5
293.21277	23.0
311.22290	100.0
312.22647	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
56.26468	0.9
57.03448	0.9
69.01422	10.0
71.05013	1.1
110.65905	1.2
113.09745	1.4
125.09740	2.9
127.11317	1.1
139.11327	9.7
141.12862	1.0
155.10748	1.4
163.11299	3.3
167.14380	1.1
171.10297	18.1
185.11816	1.4
201.11348	2.3
211.13390	1.8
249.22318	3.6
275.20013	1.4
293.21252	79.4
294.21548	5.9
311.22296	100.0
312.22729	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
54.60516	1.6
57.03454	2.1
63.15896	1.6
71.31586	2.3
101.34616	1.7
104.50480	2.0
106.50440	1.6
116.70193	1.7
140.17180	1.8
171.10344	2.7
183.01234	2.8
227.99210	1.9
249.19740	3.2
249.22238	47.8
250.22626	3.8
279.57883	2.4
293.21191	23.4
294.21579	4.1
311.16995	9.3
311.22293	100.0
312.22586	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
53.50208	0.5
53.71504	0.6
56.82285	0.6
59.01381	0.6
66.66750	0.6
71.31890	0.7
86.13966	0.6
99.08141	0.6
112.82123	0.6
113.09738	1.4
115.07658	1.9
127.07600	0.9
128.08420	0.9
137.81033	0.7
167.14439	2.8
171.10297	0.8
183.13933	3.2
195.13922	11.7
211.13380	1.7
213.14923	1.6
242.35107	0.6
247.44177	0.6
265.21799	0.9
275.20114	0.6
282.86160	0.6
283.22693	0.6
293.21265	8.5
311.22296	100.0
312.01022	0.7
312.22601	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03448	0.7
59.01363	0.7
61.89425	0.4
78.88329	0.4
88.11002	0.4
111.08114	0.5
113.09736	0.5
122.87621	0.4
124.45096	0.4
124.85720	0.4
125.09706	0.5
127.11266	1.0
129.09225	1.3
141.09262	0.4
145.18561	0.5
148.05283	0.5
153.12872	4.3
155.10783	0.4
163.11273	0.6
169.12386	2.6
180.04333	1.3
181.12347	9.8
197.11845	1.4
199.13429	1.3
227.12796	0.5
228.13586	0.8
239.23749	0.6
247.20726	0.6
249.22110	0.9
265.21759	1.2
267.23383	0.7
275.19897	0.6
283.22748	0.5
293.21262	7.6
294.21405	0.5
311.09802	2.0
311.22296	100.0
312.22629	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
52.71199	0.7
57.03449	1.4
67.01918	1.1
69.11214	2.6
69.11628	5.1
80.66686	0.8
97.06626	1.5
113.09741	3.1
125.09781	4.5
139.11305	7.8
140.11682	0.9
149.09669	1.3
149.32312	0.8
167.14453	0.9
171.10281	8.8
179.10759	0.9
185.11862	6.6
197.11899	1.5
207.53331	0.9
211.13408	34.1
212.13727	2.2
234.47701	0.9
249.22197	1.2
293.21252	100.0
294.21606	9.6
311.22449	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75271	0.6
59.01381	4.7
61.98824	2.7
71.01396	1.4
99.98914	1.6
103.41705	0.5
117.00450	7.6
126.00481	6.7
126.98150	0.7
128.97906	0.7
129.00487	1.3
130.90631	0.7
141.99976	62.1
143.00081	3.2
158.41803	0.6
159.01469	1.5
167.99605	2.0
168.91817	1.0
168.99153	1.0
169.89490	0.7
169.99469	100.0
170.97856	17.4
170.99274	6.4
171.01538	2.6
179.95442	0.7
184.01024	24.1
185.01228	1.4
217.00613	0.7
259.01575	2.5
312.00659	2.3
312.98975	0.9
313.02603	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	48.8
62.64286	41.3
65.09720	37.5
71.46977	38.0
85.02937	69.6
99.53896	41.3
106.55550	47.0
126.65802	43.5
133.98734	47.0
150.03218	55.9
150.09239	59.7
151.03983	100.0
236.76442	38.2
312.11316	38.9
313.12921	98.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0722
Annotation	5,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
50.23409	0.2
55.31056	0.2
69.07620	0.6
69.08045	1.5
75.98070	0.2
77.03997	0.3
93.03429	0.3
98.22547	0.5
121.02966	100.0
122.03312	3.5
152.48177	0.2
180.05830	1.3
181.06596	4.2
225.05579	6.2
226.05910	0.5
269.08261	0.4
271.30704	0.3
297.07608	0.3
302.78387	0.3
313.03821	0.5
313.07190	10.8
313.23853	0.5
314.07574	0.6
334.36026	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0927
Annotation	Bungeiside B
Peak:m/z	Relative Intensity
51.80630	0.2
56.22995	0.2
59.01378	1.1
71.01366	0.8
72.99316	0.3
75.00858	0.9
83.01403	0.2
83.05006	0.2
85.02979	0.3
87.00869	0.3
88.04047	0.3
89.02458	0.9
93.03464	0.2
101.02450	0.6
107.05051	2.0
108.02150	1.1
109.02966	3.4
111.00893	0.6
113.02457	0.4
114.05618	0.2
119.03537	0.3
121.03026	0.3
123.00864	0.9
123.04550	0.5
124.01662	0.7
135.04527	0.2
137.02492	0.4
138.02800	0.4
139.03015	0.3
144.73927	0.2
150.03241	1.1
151.04021	100.0
152.01170	0.2
152.04356	3.5
166.17032	0.2
167.03535	0.8
185.09889	0.2
186.11420	0.2
191.03439	0.2
214.16022	0.2
313.03619	0.2
313.05881	0.4
313.09396	6.2
313.12991	1.1
314.09741	0.5
314.13113	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
57.03431	1.2
58.00597	5.3
59.01382	100.0
60.01711	1.6
70.59694	1.5
71.01386	62.1
72.01717	0.8
72.99297	3.6
73.02941	2.9
83.01399	2.1
85.02947	9.4
87.00876	2.5
89.02451	91.1
95.01418	3.5
101.02450	34.5
101.03123	1.8
102.02784	0.9
113.02459	22.7
119.03515	34.0
131.03520	4.3
139.80167	0.8
143.03520	6.4
149.04556	3.4
151.06137	28.0
161.04582	6.3
173.17918	0.8
179.05618	31.2
304.33533	0.8
313.11432	28.3
314.11789	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07907	1.4
56.42293	1.5
58.00586	4.1
59.01383	100.0
66.44657	1.4
69.43212	9.6
71.01387	62.6
72.99319	3.8
73.02954	3.4
83.01393	2.1
85.02962	12.1
87.00877	4.0
88.06798	1.4
89.02453	99.5
90.02838	1.6
95.01401	2.8
101.02447	34.3
113.02449	22.3
119.03510	34.4
128.89470	1.6
131.03497	6.4
143.03508	7.7
149.04520	5.2
151.06137	23.4
161.04575	8.2
163.06100	2.3
179.05626	32.5
180.06125	1.5
180.99297	1.5
243.35515	1.3
293.08524	1.6
313.11426	32.3
314.11737	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1195
Annotation	Gelsedilam
Peak:m/z	Relative Intensity
54.83843	0.4
65.56750	0.5
69.28149	3.5
70.37214	0.4
72.06576	0.5
72.88916	0.5
76.46273	0.4
92.96699	0.5
94.06626	3.5
100.17453	0.5
104.05060	5.6
106.06652	0.6
107.03780	7.4
120.04505	0.9
121.05291	0.7
122.06133	46.2
123.06466	1.4
124.07691	1.2
134.06126	1.9
139.02765	2.7
147.03218	0.5
148.04057	64.9
149.04366	1.9
152.07182	73.6
153.07515	2.3
160.04047	17.9
161.04787	1.3
162.05591	1.1
193.03792	1.1
219.03003	0.6
239.08182	0.4
242.02083	0.5
243.06578	0.8
255.11418	4.4
267.11450	1.0
270.01526	0.7
276.82529	0.5
283.06082	0.8
283.10938	0.5
285.12491	10.2
286.12680	0.9
295.10895	0.5
313.11951	100.0
314.12259	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1295
Annotation	1alpha-Hydroxypseudoanisatin
Peak:m/z	Relative Intensity
57.03449	0.9
59.01372	0.5
60.25794	0.4
61.52162	0.4
68.97872	2.4
68.98306	2.5
72.99315	9.6
75.00880	100.0
76.01230	0.8
81.03425	0.5
83.05032	0.6
95.05059	0.8
122.03725	0.7
136.05325	1.1
137.06126	2.1
139.07661	0.8
147.08163	0.6
149.06108	0.7
166.69820	0.5
179.07149	2.5
192.07913	1.0
207.10368	3.2
219.10384	0.9
237.11424	0.8
313.12943	65.6
314.13312	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1295
Annotation	Viridoside
Peak:m/z	Relative Intensity
52.97266	0.4
57.03445	1.1
58.60082	0.4
59.01383	4.5
59.83298	0.4
70.41387	1.1
71.01385	2.0
72.99316	11.1
73.02964	0.5
75.00878	100.0
76.01228	1.1
79.83265	0.4
81.03466	0.5
85.02953	0.8
89.02448	4.5
95.05006	0.7
101.02424	1.9
107.05072	0.5
113.02421	0.7
119.03542	1.2
120.12180	0.4
122.03722	0.5
123.04556	0.7
124.05329	0.5
125.06109	0.8
135.08397	0.4
136.05341	1.0
137.06085	2.0
139.07664	1.0
149.06100	0.5
151.06131	0.7
151.07642	0.5
161.06133	0.8
165.05594	0.4
165.09244	0.6
179.05621	1.4
179.07158	3.1
189.09183	0.5
192.07892	0.6
195.10269	0.8
207.10272	4.2
237.11392	1.3
313.12967	59.5
314.13321	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2387
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
58.00591	3.5
58.81487	0.6
59.01380	0.7
69.01492	4.3
97.06596	0.7
98.22549	1.0
99.08164	19.2
111.08179	0.8
127.07689	4.1
129.09232	19.9
135.45471	0.6
181.12604	0.6
183.13913	43.3
184.14268	2.2
195.13896	3.7
213.15021	0.7
234.72429	0.7
277.21713	2.7
295.22787	9.0
313.23856	100.0
314.24167	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2387
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
53.64665	0.9
61.98823	2.1
70.18383	2.7
121.02967	1.0
130.49609	0.9
145.23740	0.9
185.00793	2.7
214.61432	1.0
249.22456	1.4
251.23804	74.5
252.24101	5.6
269.24869	2.4
295.22797	26.9
296.23199	1.7
311.83691	1.0
313.16620	4.8
313.23862	100.0
314.24142	8.3
317.86539	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2749
Annotation	2-Methoxyoctadecanoic acid
Peak:m/z	Relative Intensity
52.33221	1.6
57.03453	12.9
65.28452	1.8
69.03455	1.9
69.13541	13.7
76.73108	1.7
88.47347	1.8
125.08252	1.7
127.87817	2.0
138.80061	1.7
143.56862	1.8
210.39522	1.8
267.26950	49.3
268.27316	2.9
303.12067	1.8
313.16797	4.7
313.27502	100.0
314.27881	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0513
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
59.39445	0.4
59.49574	0.4
63.02462	6.9
65.00391	3.8
66.46224	0.4
70.56082	0.9
76.85330	0.5
82.45267	0.4
83.01390	5.6
96.96069	0.6
107.01405	10.5
108.02185	2.6
109.03049	0.6
111.00970	0.6
120.02267	0.5
123.00945	1.2
124.01678	2.2
135.00986	0.8
136.01733	1.2
147.01144	0.5
148.01688	4.1
149.99683	2.0
151.00383	17.6
152.01115	0.8
163.00417	3.5
164.01173	5.8
166.35184	0.4
169.01518	2.0
183.28146	0.5
189.02074	0.6
199.04158	0.6
203.03363	0.5
211.04132	1.0
215.03531	1.1
216.04303	1.6
227.03481	2.8
228.04204	0.9
243.02954	2.5
244.03799	0.7
255.03012	3.0
255.10411	0.5
271.02469	5.7
272.03232	2.1
278.16058	0.5
283.02469	3.5
299.02075	1.0
300.02771	77.8
301.03134	5.5
315.05109	100.0
316.05463	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.5
66.34343	0.7
67.01915	1.1
69.03444	1.5
71.01384	2.8
71.05397	0.8
71.29249	1.4
71.29645	1.2
72.99307	1.9
73.02949	9.7
73.64002	0.8
74.33360	0.8
74.87076	0.7
74.99377	1.1
75.00880	2.2
77.80408	0.8
81.03454	4.1
83.05046	3.5
85.02960	2.5
93.03463	36.6
95.01415	1.2
99.00909	3.7
99.04527	3.3
108.02205	1.9
109.02959	10.0
111.00909	1.1
111.04528	10.6
117.00455	4.3
123.04544	6.7
125.00977	1.4
127.02483	1.6
133.29739	0.8
137.02452	38.7
141.00432	1.1
143.03581	1.0
144.99992	1.2
147.03017	10.5
148.03203	1.7
149.00954	19.5
149.04617	4.3
150.01085	1.2
151.00766	1.1
151.02525	10.2
152.01233	0.9
153.01952	3.3
153.05571	10.2
155.03526	2.9
156.99918	0.9
159.01453	0.9
163.99658	3.1
167.02036	3.7
169.00000	1.9
169.03615	5.8
170.97891	3.4
171.01489	1.4
172.97697	3.4
172.99426	0.8
173.04578	10.1
177.00447	5.6
179.05894	0.7
191.02034	8.5
193.03590	19.2
194.03740	1.2
195.01501	9.0
198.97455	1.1
209.03229	1.5
211.01060	1.7
211.04567	1.1
215.52725	0.8
219.01588	1.1
237.02576	16.4
238.02759	1.4
255.00128	3.7
255.03612	100.0
256.00256	1.0
256.03860	9.7
273.04697	9.6
290.82513	0.8
315.14224	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
57.03428	1.0
59.01368	4.5
59.52090	0.9
60.96562	1.1
65.03957	0.9
69.01275	10.2
69.03444	1.2
71.01393	1.5
72.99284	1.3
73.02945	12.0
75.00567	0.8
75.00881	9.3
81.03451	2.3
83.05032	4.6
85.02960	2.2
86.15159	0.8
87.77236	1.0
87.92520	2.0
93.02885	2.1
93.03461	39.3
98.21935	4.3
98.22614	2.2
99.00886	3.6
99.04531	3.0
103.92030	3.0
104.92829	1.1
108.02172	3.5
109.02956	19.6
109.45443	0.9
110.03256	1.1
111.04513	7.8
117.00423	1.4
123.04530	7.6
129.01970	2.0
137.02454	39.2
147.03038	9.6
149.00958	20.6
149.04564	3.4
150.01088	1.3
151.02528	9.5
152.01164	1.7
153.01935	14.8
153.05568	11.7
155.03479	3.1
158.89299	2.4
159.89381	1.2
163.99706	2.7
167.02080	2.2
169.03569	6.6
170.03746	1.0
173.04549	10.8
177.00443	6.3
183.04990	1.3
191.01990	8.8
193.03589	17.1
194.03741	2.0
195.01505	11.4
209.03082	1.1
211.04686	1.6
219.01534	1.6
237.02568	16.0
255.03604	100.0
256.03748	8.7
273.04593	12.5
315.06870	4.2
315.14282	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0724
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
50.29631	0.4
59.63589	0.4
69.42774	1.8
71.01393	2.2
72.99319	0.8
73.02938	0.7
75.00876	7.2
81.03467	0.9
85.02963	2.3
93.03480	1.1
95.01379	1.3
98.10917	0.4
101.02465	1.3
108.02183	100.0
109.02973	44.6
110.03288	0.9
113.02473	0.9
119.03499	0.4
121.02953	1.0
123.00902	0.9
123.04540	1.6
133.02957	0.9
135.00903	0.5
135.04535	1.3
147.84918	0.4
151.04008	1.8
152.01164	68.3
153.01949	39.0
153.02933	0.4
154.02272	1.3
161.04230	0.4
163.04018	1.3
165.01965	1.4
254.95041	0.4
255.16154	0.4
270.70755	0.4
315.07236	71.1
315.14395	5.8
316.07565	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0726
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
50.35963	0.6
59.01382	1.1
69.49382	4.3
69.49701	0.7
71.01382	1.7
73.02948	1.7
81.03474	1.1
85.02971	2.5
95.01408	1.3
101.02439	1.3
108.02184	100.0
109.02972	37.9
110.03284	1.1
117.05590	4.4
118.66308	0.7
121.02969	1.1
123.00893	0.7
123.04544	1.6
136.81842	0.6
151.03993	1.3
152.01166	63.1
153.01959	35.2
153.05486	1.4
154.02202	0.7
157.66214	0.6
163.03941	1.4
165.01991	1.5
225.04100	0.7
230.65253	0.6
255.03627	1.0
315.07242	63.4
316.07587	4.6
322.03204	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0878
Annotation	2,3-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
50.03009	0.3
55.01873	0.6
57.03460	1.8
57.09148	0.2
57.24010	0.3
59.01376	1.1
65.00323	0.9
65.03999	0.3
67.01886	0.9
68.99822	2.4
69.03461	3.0
69.46388	1.4
71.01382	0.7
71.04665	0.3
71.05029	0.8
72.14188	0.3
72.82662	0.2
73.52052	0.2
79.01898	1.0
79.05542	0.4
80.02678	1.5
81.03462	21.4
82.03776	0.4
83.01392	6.6
83.05036	0.4
84.02161	0.3
85.02953	0.6
93.03469	8.4
95.01412	1.2
95.05033	25.5
96.05367	0.6
97.02961	8.7
97.06635	0.4
97.37893	0.3
98.22656	0.3
99.04530	11.5
105.03471	1.0
107.01418	1.2
107.05050	0.7
108.02178	1.4
109.02968	0.9
109.06613	0.5
111.04510	0.5
119.05041	13.1
120.05379	0.5
121.02961	3.6
121.06616	0.9
122.03750	3.3
123.00906	1.2
123.04539	23.1
124.01645	0.6
124.04871	0.5
125.02460	27.1
126.02785	0.9
134.03781	0.3
135.04553	1.7
137.02498	1.5
137.06094	25.2
138.06415	0.7
139.04022	6.3
139.07657	0.5
141.05574	1.9
145.02965	0.4
145.06598	0.8
147.04536	3.4
148.01723	0.3
149.02435	1.2
149.06105	0.7
150.03162	0.3
151.00313	0.3
152.01079	0.3
153.05585	0.4
159.04503	0.5
161.06117	1.3
163.04004	1.2
163.07666	1.0
164.04773	0.5
165.01955	1.9
165.05585	12.7
166.05910	0.5
167.03508	64.5
168.03844	2.3
171.04579	0.4
177.01950	0.8
177.05624	0.5
179.03531	1.3
180.04263	0.6
181.05101	3.5
187.07706	0.3
189.05579	9.1
190.02707	0.3
190.05948	0.5
191.03490	1.0
193.01456	0.9
193.05096	0.5
203.78860	0.3
209.04558	28.1
210.04878	1.2
221.04536	2.4
228.07950	0.3
229.08710	0.8
231.06619	0.9
243.10388	0.3
245.08070	0.3
247.09767	0.6
263.14804	0.3
270.05353	0.3
271.09778	1.1
281.07007	0.3
287.02057	0.3
287.09418	0.6
297.07935	0.5
315.08755	100.0
316.09061	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1088
Annotation	3,5-Dihydroxyphenethyl alcohol 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
56.52427	0.4
58.00581	0.6
59.01385	11.2
69.49064	2.5
71.01386	5.3
71.01953	0.5
85.02936	0.9
89.02453	5.9
95.05019	0.6
101.02459	3.3
101.71279	0.4
102.79454	0.4
112.91227	0.4
113.02466	2.0
119.03513	3.5
122.03793	0.6
123.04535	72.5
124.04838	2.2
127.56805	0.4
135.04541	9.6
153.05589	100.0
154.05905	3.5
210.07938	0.4
315.10864	8.6
316.11240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1087
Annotation	Taxicatin
Peak:m/z	Relative Intensity
53.03450	0.4
55.77694	0.3
56.04634	0.4
57.33201	0.5
57.51086	0.4
63.62259	0.3
69.79063	1.9
78.04953	0.4
81.72640	0.4
95.05038	0.6
122.03745	0.9
123.04532	72.8
124.04842	2.5
145.27925	0.5
153.05585	100.0
154.05940	4.6
215.73529	0.4
219.76826	0.4
226.01648	0.4
315.10904	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	14.0
60.46333	0.9
70.79875	2.1
71.01382	4.3
72.99306	2.2
73.02955	8.0
74.02467	1.0
74.99372	1.0
75.00517	0.9
75.00874	6.9
81.03461	2.9
83.05042	2.6
83.06171	3.6
87.92563	1.0
93.03468	19.6
99.00896	1.9
99.04551	1.0
101.02486	1.3
108.02188	23.8
109.02969	18.7
111.04520	5.3
113.02480	1.1
117.00416	5.3
119.00219	1.9
123.03639	2.1
123.04537	37.3
124.04065	4.0
124.04896	1.5
127.02615	1.2
131.08275	48.8
135.04428	1.8
137.02452	27.1
141.01543	1.3
144.99940	2.1
147.03044	5.9
149.00949	11.7
149.04620	2.2
150.05255	4.2
151.02522	5.1
152.01170	14.7
153.01961	15.4
153.05589	57.6
154.00047	2.0
154.06021	2.4
155.03528	2.1
156.07857	1.2
159.01543	2.3
163.99626	1.1
167.02040	2.2
169.03554	3.8
170.97861	6.8
171.01491	1.6
171.98006	1.0
172.01033	21.7
172.97618	3.8
172.99438	1.4
173.01236	2.4
173.04579	6.6
173.10432	5.8
177.00514	2.5
178.04764	3.2
185.03033	1.2
191.02013	6.8
192.02643	3.6
192.06277	1.7
193.03587	11.5
194.07828	5.3
195.01550	7.3
196.05791	24.6
197.05965	2.4
214.05730	3.1
219.01514	1.7
231.08394	5.9
237.02592	9.2
238.06854	100.0
239.07016	8.7
255.00946	1.3
255.03638	62.8
255.09491	65.9
256.03876	6.0
256.09586	4.4
273.04776	5.2
273.10654	3.4
296.36539	1.0
314.99124	1.3
315.07358	15.8
315.10870	2.0
315.14346	4.3
315.20279	1.0
316.07782	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.124
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00076	3.0
76.87106	0.4
90.37498	0.3
93.03479	1.1
107.05053	0.3
108.02220	1.0
109.02975	0.9
121.02964	10.3
121.06629	0.9
123.04559	0.7
134.03732	0.4
135.04564	1.8
137.02441	0.4
146.03757	0.6
147.04539	2.5
148.05249	0.3
149.06105	1.5
150.03191	0.4
155.08701	0.3
159.04491	0.5
161.06105	0.9
162.03212	0.4
165.05492	0.3
166.06351	0.6
166.47342	0.3
178.06377	0.7
179.07095	2.6
180.04277	0.5
181.06578	0.5
183.08200	0.6
185.06111	0.6
186.86238	0.2
191.07195	0.8
196.05316	0.8
197.06136	0.3
199.07645	2.0
209.06064	3.3
210.06856	0.4
211.03963	0.5
211.07631	1.4
212.04797	2.6
213.05592	0.6
223.07574	0.4
224.04758	0.5
225.05573	0.4
225.09099	0.4
226.06497	0.4
227.07158	6.8
228.07433	0.4
237.05600	3.5
238.06299	1.9
239.06992	0.7
240.04282	5.5
241.05014	2.1
241.08803	0.6
243.06537	0.5
243.10208	0.4
251.07176	1.2
252.07869	0.8
253.05032	0.3
253.08762	0.7
254.05801	1.6
254.09564	0.5
255.06635	22.5
256.07211	2.4
257.08228	0.4
269.08194	14.0
270.08798	2.3
271.09775	0.8
272.10486	0.4
281.08350	0.6
282.08929	1.7
283.06961	0.4
283.09818	4.8
284.10394	1.3
285.11057	0.4
299.09268	9.0
300.10028	67.5
301.10364	4.7
315.12384	100.0
316.12683	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.7
61.46791	0.5
68.79495	0.5
68.99822	1.2
69.40445	0.4
71.01376	0.8
71.31004	0.5
71.31409	0.6
72.99310	0.7
75.77515	0.5
80.05064	2.7
83.05025	0.5
94.06628	2.5
104.05067	2.3
106.06627	1.4
107.03785	7.5
108.04592	0.8
120.04581	1.4
122.06135	56.3
123.06480	1.7
132.04564	45.6
133.04921	1.5
134.06129	3.9
139.02780	1.9
150.05618	77.7
151.05968	2.8
152.07184	100.0
153.04399	0.5
153.07561	3.8
162.05666	0.7
176.03467	0.6
239.11922	1.5
241.03981	1.5
269.12823	0.6
285.12167	0.5
287.14011	1.7
297.12500	1.8
300.02609	1.1
315.13531	83.1
316.13864	6.5
317.65472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1451
Annotation	Merrilliortholactone
Peak:m/z	Relative Intensity
50.24626	0.6
57.03442	1.0
59.01387	1.4
62.71532	0.5
69.30978	1.5
69.31399	2.8
71.01400	0.8
72.99313	11.8
73.02953	8.9
75.00877	100.0
76.01218	0.8
81.03481	1.3
83.05032	1.1
85.02950	0.7
88.82581	0.5
93.03455	4.8
94.67050	0.7
97.06592	0.8
99.00879	0.7
99.04563	0.9
108.02184	9.8
109.02961	41.6
110.03298	1.9
111.04522	1.5
117.00458	0.7
117.05586	15.7
123.04531	2.2
137.02480	6.5
142.16982	0.5
147.03049	2.1
147.86494	0.5
149.00935	3.5
149.04611	1.4
149.09715	0.5
150.47357	0.5
151.02550	1.3
152.01160	6.8
153.01952	52.3
153.05562	2.1
154.02290	1.6
169.03580	0.8
170.97865	0.8
173.04564	2.0
177.00531	1.3
191.02011	2.4
191.10741	1.0
193.03590	2.4
195.01514	1.7
195.30811	0.5
209.11790	1.0
237.02570	2.4
239.12828	1.4
255.03616	15.5
256.03845	2.0
273.04648	1.6
285.98584	0.6
315.07327	5.8
315.14496	79.3
316.07700	0.8
316.14844	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89800	0.6
61.98837	14.1
70.91774	1.4
72.07981	0.5
73.76982	0.7
97.96024	0.6
100.41415	0.6
104.76127	0.5
113.02470	1.2
121.02975	1.0
133.02963	11.5
134.03790	3.8
135.04536	4.7
137.02455	3.7
139.04045	1.1
161.02461	38.4
162.02817	1.8
178.02722	1.6
179.03496	3.1
231.13899	13.1
232.14284	1.0
233.15358	2.5
297.47668	0.7
304.58289	0.6
315.16046	100.0
315.19351	5.4
316.11761	2.7
316.16364	9.0
316.19800	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1604
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
66.57523	0.4
68.62640	0.4
70.16935	1.3
73.59827	0.4
88.29023	0.4
92.48897	0.4
98.22531	0.4
106.04287	0.7
109.02950	10.4
121.06678	0.4
123.04557	0.7
137.02457	100.0
138.03258	30.9
139.03543	1.0
140.01132	0.9
151.04042	0.9
152.04770	0.5
155.57996	0.4
165.05608	3.0
166.06306	0.9
170.00911	0.6
170.02238	6.1
177.38051	0.4
228.74022	0.4
283.13428	1.1
285.14883	0.5
300.13690	71.6
301.14020	6.6
301.17157	0.5
315.16022	76.9
316.16388	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45785	1.5
68.81010	1.6
69.03477	2.2
69.78729	4.5
74.49809	1.4
92.25838	1.3
93.03488	4.3
94.01388	1.5
95.01387	3.2
96.19271	1.4
98.21246	1.7
106.04249	3.8
108.02188	4.7
111.00910	1.9
113.02466	2.4
121.02941	9.2
133.02960	33.8
134.03760	53.2
135.00894	10.8
135.04562	22.0
137.02458	53.2
139.04031	18.9
149.02481	3.3
150.03197	6.1
153.01970	5.4
161.02518	1.7
178.02750	34.6
179.03508	31.1
180.03745	1.7
210.19235	1.6
215.00055	1.9
229.42143	1.3
230.41679	1.4
243.02196	8.1
315.08029	26.5
315.16074	100.0
315.19678	18.6
316.08429	2.5
316.16394	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1967
Annotation	(+)-Phomactin C
Peak:m/z	Relative Intensity
59.01376	1.7
61.98836	8.2
71.30135	2.6
76.26950	1.4
116.92910	1.2
127.10641	1.2
135.08151	1.9
138.19737	1.3
163.07693	3.1
200.48506	1.4
201.09305	2.7
208.58659	1.5
217.07185	1.8
219.84641	1.6
231.13879	3.6
254.16710	8.2
257.15475	7.0
269.19125	8.7
273.44772	1.3
282.16122	3.8
287.20193	9.3
313.24161	1.5
315.19650	100.0
315.25494	5.6
316.20035	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1965
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
61.57053	0.3
70.82162	0.2
75.08994	0.2
83.04941	0.2
126.71046	0.2
133.22266	0.2
137.02231	0.2
143.14447	0.3
219.73448	0.3
227.10657	0.2
229.08647	2.6
231.10129	0.3
233.15526	0.6
243.10352	1.2
244.11049	4.0
245.11374	0.3
257.11893	0.8
285.15125	1.5
299.16583	1.3
300.17270	1.1
315.19666	100.0
316.20010	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.6
63.02385	6.7
65.00329	12.8
68.06906	1.0
69.35248	6.1
83.01393	12.7
95.01392	8.6
107.01399	20.8
108.02197	2.8
108.99297	1.3
109.02956	100.0
110.03295	3.2
111.00854	1.6
112.85202	1.1
115.48400	1.1
119.01369	1.4
123.00877	2.7
124.01647	7.8
125.02455	21.6
127.03223	1.2
133.02942	4.2
135.00900	9.9
135.04515	1.2
137.02449	4.6
147.00938	1.3
151.00374	57.1
152.01152	21.3
153.01955	29.8
159.04546	2.3
161.02452	4.1
163.00378	70.5
163.04008	1.8
164.01059	3.1
169.01370	2.1
171.04541	1.8
174.03267	1.9
175.03992	3.9
178.99866	37.7
180.00389	1.8
181.01466	5.4
183.04523	3.3
185.02435	2.1
187.04024	3.6
187.66168	1.2
189.01918	2.5
190.99870	47.5
192.00220	2.1
199.03964	2.5
201.05508	1.5
201.20071	1.0
203.03514	4.3
206.99355	39.2
207.02832	2.6
208.00101	15.5
210.03331	1.2
211.03932	9.2
213.01854	2.2
217.05051	4.1
226.02565	1.5
227.03513	21.4
228.03690	1.4
229.05006	2.4
230.02216	2.4
231.02951	7.8
245.04553	5.8
255.02998	29.2
256.03455	1.5
258.01700	2.6
271.02499	6.4
273.04065	5.1
281.00766	1.7
282.01871	1.2
299.02045	16.7
317.03018	7.2
317.06680	3.3
317.15906	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48215	0.2
59.01375	0.2
67.01893	0.8
68.99822	1.0
69.03460	1.2
69.23022	0.3
69.23418	0.8
70.79729	0.2
71.01362	0.2
72.68014	0.2
77.03965	1.3
79.01907	0.5
83.01395	1.8
85.02953	0.3
87.20926	0.2
93.03463	2.4
95.01384	0.9
95.05032	0.2
96.96013	0.7
97.02954	5.5
98.22474	0.4
109.02960	3.1
111.00875	0.3
121.02965	6.3
123.00916	1.5
123.04539	1.5
125.02477	0.9
135.21072	0.2
137.02457	26.0
138.02760	1.0
139.04004	1.3
141.01961	0.3
149.02458	1.9
151.00386	0.8
151.04024	0.8
151.88966	0.2
153.01970	1.0
159.04552	0.2
161.06091	0.2
163.00409	0.3
165.01941	100.0
166.02284	3.7
167.03534	0.3
179.03568	0.4
187.03842	0.2
192.00728	0.3
193.01344	0.7
195.02994	0.4
199.13379	0.2
201.05635	0.3
203.07127	0.7
205.05055	0.7
207.02998	0.3
225.11398	0.4
229.04810	0.4
231.06554	0.5
243.12413	0.3
245.08218	0.6
247.06105	0.9
273.07614	0.3
287.09348	0.3
289.07217	0.5
317.02991	5.4
317.06674	9.2
317.16141	0.3
317.19580	0.4
318.03482	0.4
318.07001	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42900	1.5
56.86741	1.2
57.03451	7.3
57.83494	1.5
59.01377	1.7
63.02400	8.4
65.00327	13.3
66.09379	1.3
67.01902	1.4
71.01379	3.8
71.30381	1.7
73.02940	1.4
79.95739	1.6
83.01393	13.1
95.01394	10.8
107.01394	24.6
108.02194	3.9
109.02963	100.0
110.03292	1.6
118.06643	4.1
119.01373	2.8
120.76482	1.4
120.99779	1.4
123.00868	2.8
124.01687	10.5
125.02461	23.4
133.02946	6.3
135.00934	11.2
137.02483	3.6
143.05037	1.6
143.91693	1.7
147.00877	1.7
151.00386	62.3
152.01172	21.8
153.01959	34.3
155.04951	1.3
159.04523	3.5
161.02419	3.8
162.05618	34.7
163.00389	65.3
164.01068	4.6
167.87360	1.5
169.01392	1.6
174.03265	2.5
174.84940	1.5
175.03998	6.2
178.99873	36.0
181.01462	4.1
182.03786	1.7
183.04495	5.4
185.02478	3.2
185.06064	2.0
187.03981	5.0
189.01981	3.8
190.99886	50.3
192.00229	1.7
199.04001	4.0
202.02733	1.5
203.03513	4.8
206.99355	31.2
207.02863	3.1
208.00119	18.5
209.06068	2.0
211.04086	8.8
211.07652	11.6
212.04762	1.7
213.01976	2.5
217.04984	3.6
227.03522	20.8
227.06970	2.2
229.01584	2.0
229.05040	3.3
230.02245	2.6
231.03032	9.2
245.04604	9.4
255.02998	28.4
256.03748	1.5
258.01709	4.0
271.02457	5.9
273.04086	6.5
273.07718	14.2
299.02048	12.6
317.03009	7.0
317.06741	11.7
317.10504	2.1
317.16107	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0669
Annotation	3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone
Peak:m/z	Relative Intensity
57.03186	1.2
57.03451	16.1
59.01366	0.9
63.02390	2.9
65.00329	7.2
69.31836	6.0
73.87871	0.8
79.95749	1.1
81.03461	1.5
83.01386	8.8
83.41168	0.7
95.01402	6.7
96.96021	2.0
98.21824	1.9
107.01418	5.0
108.02206	0.8
109.02965	1.0
111.00874	2.8
122.03730	1.5
123.00892	4.5
124.01671	13.1
125.02457	100.0
126.02792	3.1
137.02434	1.7
139.00316	1.3
146.03719	1.5
149.02428	3.7
150.03249	2.2
151.00368	13.8
152.01154	25.1
152.40373	0.7
153.01842	2.7
165.05635	1.0
172.05186	0.9
178.99869	9.8
180.80545	0.8
186.06799	1.4
187.04039	1.9
188.04773	3.5
192.04263	8.3
193.81578	0.9
201.05591	1.3
207.06644	6.4
213.05608	1.1
214.06355	2.4
215.03448	1.9
216.04227	2.5
229.08661	1.7
230.05815	3.3
231.06604	7.5
233.04443	1.2
245.08205	1.6
249.07671	1.6
256.03781	1.3
258.05399	5.2
273.07727	11.4
274.04840	4.1
284.03232	1.3
289.07199	60.4
290.07498	4.2
299.05539	1.7
304.61780	0.9
317.06671	51.3
318.06921	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1065
Annotation	Pandangolide 2
Peak:m/z	Relative Intensity
55.90670	0.2
69.05287	1.4
79.95743	2.2
96.96017	100.0
97.95955	0.4
124.75330	0.3
163.00403	0.3
181.74471	0.2
207.71419	0.2
260.33060	0.2
281.04474	0.3
285.04260	0.3
317.10648	45.3
318.11014	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
71.01382	1.4
71.31973	0.4
71.32365	0.4
74.57107	0.5
79.95746	7.2
85.02917	0.5
95.95223	3.0
96.96021	100.0
101.02452	1.1
108.97563	0.4
109.02920	0.4
113.02424	0.4
144.12000	0.4
175.54002	0.4
203.03850	8.4
218.06161	0.5
219.06955	1.1
317.14294	95.4
318.14615	7.3
319.68402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1759
Annotation	6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-3,17-dione
Peak:m/z	Relative Intensity
59.01378	0.7
61.67945	0.5
69.55143	2.6
71.01385	20.2
85.00441	0.9
98.00103	0.7
98.22549	0.8
99.00871	2.4
111.00873	1.5
115.00383	28.9
201.16542	1.6
202.76727	0.6
213.12804	0.8
227.18056	2.3
229.15947	1.1
237.16508	4.2
255.17549	20.6
256.17920	1.9
273.18616	2.1
299.16553	15.3
300.16870	0.8
317.17581	100.0
318.17883	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2122
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
66.41184	0.4
98.21758	1.0
116.74627	0.5
169.87190	0.5
184.42535	0.5
253.05653	0.5
317.21219	100.0
318.21576	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2125
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
52.30128	0.6
75.80781	0.7
125.02399	0.6
129.97581	0.7
136.18007	0.5
148.33496	0.6
222.41652	0.6
227.11009	0.7
233.15355	0.6
291.72531	0.6
317.21225	100.0
318.21582	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2128
Annotation	(+)-Phomactin E
Peak:m/z	Relative Intensity
51.54533	0.5
59.14514	0.5
70.87404	1.0
75.00904	0.5
77.00454	0.9
78.78619	0.5
164.28983	0.5
171.79250	0.6
215.10773	1.3
227.10910	0.6
228.11554	2.3
259.13321	0.7
269.15536	0.7
283.17053	1.0
284.17651	2.1
299.20172	100.0
300.20514	8.5
317.21207	82.3
318.21542	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27010	2.9
55.68532	2.6
59.01376	20.5
61.98822	9.2
62.25394	2.4
66.73177	2.4
68.99580	20.8
69.03487	2.8
69.58554	13.4
71.01390	20.9
72.99320	3.9
73.02946	2.9
78.95906	5.0
83.01367	2.6
83.05009	3.7
85.02940	4.3
87.00903	6.1
89.02441	11.6
93.03465	40.0
95.05037	6.6
97.51127	2.4
98.69791	2.5
99.00906	8.9
101.02453	9.5
111.00903	9.3
111.04544	4.6
112.98583	25.4
113.02452	4.2
119.00214	4.4
119.03468	3.9
119.05027	3.5
132.99171	3.3
133.01636	4.2
136.94005	3.9
137.02443	46.1
139.00391	7.7
139.03998	7.0
139.07635	5.0
148.98639	5.6
150.04176	6.7
150.98355	13.3
155.03539	4.9
157.00031	4.4
157.01390	5.4
157.03709	3.5
157.05110	10.3
158.97005	4.8
161.04555	3.4
163.04095	3.5
174.96501	5.3
176.96307	19.2
176.98112	100.0
177.00426	3.8
177.98235	7.8
183.01375	2.7
236.94064	5.8
248.98653	7.2
250.96535	8.2
258.97198	3.6
276.94495	3.7
292.97113	12.3
294.95706	3.0
300.93448	2.8
318.95346	16.9
319.10013	8.9
319.13593	3.0
320.06320	4.2
337.02509	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.046
Annotation	Fusarubinoic acid
Peak:m/z	Relative Intensity
52.52980	2.0
56.93291	1.8
57.03432	1.9
59.01378	7.2
68.31747	1.7
69.05964	4.3
69.06366	10.0
71.01376	4.7
83.01405	4.0
89.00670	2.5
93.03484	1.8
97.80416	1.7
109.02957	4.0
113.06105	10.9
115.05535	4.4
116.92847	2.0
117.03448	2.4
119.05030	2.4
123.04564	2.3
125.02469	8.1
130.04224	1.7
131.05054	2.3
137.02470	5.4
137.06088	2.7
143.05026	8.6
145.02963	5.7
145.06615	3.9
146.03687	2.0
147.04541	4.1
149.02437	3.7
150.37582	1.6
153.01976	4.6
155.04993	2.4
157.05099	4.8
159.04524	12.7
161.02426	3.5
161.06104	6.7
163.03987	4.2
165.01945	3.8
167.05081	7.5
169.02890	2.4
169.06625	3.2
171.04559	5.3
173.02452	4.4
173.06120	2.7
175.03999	4.7
177.01939	6.1
182.03720	2.3
183.04512	20.7
185.02448	5.5
185.06033	4.2
186.03302	2.7
187.03998	14.6
189.01898	2.5
189.05536	4.3
190.02745	4.6
191.03500	18.8
193.01445	4.6
197.02455	5.0
198.03198	2.6
199.04001	4.0
201.02007	4.0
201.05548	3.2
205.05025	3.0
211.03990	25.9
213.01956	2.3
213.05605	2.2
214.02792	8.1
215.03513	62.6
216.03905	4.1
217.01436	6.6
227.03529	4.6
229.01413	7.2
229.05013	11.8
230.02174	2.7
231.03044	3.0
233.04553	33.1
239.03612	12.0
243.03011	3.6
245.04515	3.5
247.06174	2.7
255.03012	2.7
257.04602	25.9
258.01706	2.6
259.02618	3.2
275.05621	4.8
283.02408	5.5
301.03549	100.0
302.03894	7.1
319.04770	26.4
319.08606	5.2
320.04968	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.3
59.01379	3.8
60.87575	0.8
69.03467	0.7
69.25009	5.9
69.25425	1.8
71.01385	4.8
71.05019	10.5
73.02925	1.2
79.39379	0.8
85.02956	1.9
89.02472	1.2
92.50200	0.8
93.03470	1.4
95.05032	18.8
96.96015	2.6
97.02959	30.8
99.00906	1.4
101.02471	3.7
101.39831	0.8
109.02960	19.6
113.02415	1.7
115.04019	4.4
124.05311	1.0
137.02463	2.3
139.04022	70.6
140.04388	2.7
153.01950	28.0
157.08736	1.5
165.01932	11.0
183.02992	100.0
184.03328	3.9
301.58832	0.8
319.08484	1.0
319.13049	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0462
Annotation	Dihydromyricetin
Peak:m/z	Relative Intensity
57.03451	14.3
59.01382	1.4
63.02403	1.7
65.00330	2.7
68.71319	0.8
70.59518	1.6
81.03483	1.2
83.01395	5.6
93.03475	1.1
95.01429	2.3
107.01421	3.9
109.02965	6.5
111.04556	1.1
111.17376	0.8
121.03012	2.8
123.00891	3.5
124.01676	2.5
125.02459	69.4
126.02803	1.5
137.02457	10.6
139.04047	5.8
146.32564	0.8
147.00873	6.6
149.02455	1.0
151.00386	13.3
152.01172	2.0
153.01961	8.0
155.03520	2.1
159.04445	1.1
159.37463	0.8
161.02428	1.4
164.01137	1.2
165.01941	12.2
166.02660	1.5
167.03520	7.6
169.01361	0.9
175.00383	25.9
176.00996	1.9
177.05557	0.9
178.99861	12.1
181.01428	1.7
185.02473	1.3
187.04028	1.7
190.02797	1.6
191.03510	16.0
192.03912	1.2
193.01421	100.0
194.01740	4.7
201.05603	1.1
215.03516	9.6
229.04990	1.5
233.04491	2.4
257.04581	8.1
258.04880	1.0
301.03543	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03181	1.2
57.03450	16.2
58.03769	0.6
59.01385	7.4
61.12864	0.7
63.70494	0.7
65.00290	0.9
67.01898	1.0
69.03476	0.9
69.46143	3.5
71.01389	4.7
74.37753	0.6
75.00890	0.8
77.03971	1.1
83.01405	3.5
83.94510	0.6
85.02949	1.3
89.02453	3.2
93.03459	3.1
95.01384	2.4
95.89996	0.6
96.96011	1.1
97.02986	3.9
97.31067	0.6
98.21875	1.3
101.02477	1.8
108.02177	1.5
108.05789	0.7
109.02953	7.9
111.00909	1.3
113.02479	1.4
119.03543	1.0
120.02172	1.6
121.02985	7.0
125.02459	100.0
126.02815	2.5
133.02972	3.1
137.02448	12.5
139.00380	1.2
139.03955	1.2
149.02486	1.4
151.00368	1.2
155.03635	1.0
157.01361	0.9
159.04515	0.9
161.02451	22.7
162.03209	1.1
163.00470	1.5
164.01170	21.4
165.01947	55.8
166.02315	2.0
166.25429	0.7
175.04062	1.5
177.01952	4.1
193.01399	1.1
195.08218	1.1
197.04561	25.7
198.04955	0.8
201.05594	0.8
203.03482	1.2
217.05383	0.7
243.06798	1.0
269.04630	1.3
275.09247	1.0
287.05585	6.0
319.08191	4.6
319.13995	3.7
319.17694	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0824
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
57.03437	1.3
61.18413	0.7
65.03966	1.7
66.69593	0.8
72.07008	0.6
73.02953	2.2
76.41386	0.7
81.03464	2.3
83.01407	1.6
83.05037	5.2
86.23913	0.6
93.03467	40.8
94.03799	1.4
95.56939	0.7
96.96015	1.1
98.21813	1.6
109.02949	1.0
111.04529	11.4
115.77540	0.7
117.03465	9.1
119.05038	100.0
120.05358	3.4
125.02435	1.3
129.01984	4.3
137.02448	25.5
138.02795	0.9
145.02971	28.8
146.03334	1.1
151.00432	0.9
155.03522	22.4
163.04024	87.7
164.04411	3.0
167.95067	1.0
173.00896	2.0
173.04588	0.8
202.96307	0.7
242.67004	0.8
268.54669	0.7
277.22604	0.8
291.57925	0.8
303.38358	0.8
319.08307	14.0
319.21362	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0826
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
53.27151	1.2
57.03443	2.4
59.01381	14.7
65.03969	1.3
68.96141	1.1
71.01382	8.7
73.02945	2.7
81.03462	2.8
83.05032	5.3
83.64901	1.0
87.07725	1.3
89.02441	10.3
92.34266	1.2
93.03465	36.9
95.01385	1.5
97.02961	2.7
99.04569	1.3
101.02443	2.9
109.03011	1.6
110.00265	1.1
110.02431	1.2
111.04517	11.8
113.02464	3.0
117.03515	6.7
119.03577	4.2
119.05034	100.0
120.05376	3.2
121.02943	1.8
123.87658	1.0
125.02458	5.2
129.02003	1.4
131.75615	1.1
137.02443	27.1
138.02791	1.6
139.04010	4.3
139.07675	5.6
140.08203	1.2
145.02963	23.0
153.01991	1.9
155.03503	19.4
156.03841	1.3
161.02493	1.5
163.04024	92.7
164.04367	3.9
165.01872	1.1
173.04605	1.3
183.02971	6.4
185.67068	1.3
205.89568	1.1
212.94374	1.0
222.22179	1.1
319.08249	10.4
320.08368	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0857
Annotation	N4-Acetylsulfamethazine
Peak:m/z	Relative Intensity
50.50257	0.3
56.19534	0.3
59.01374	0.8
69.10091	3.5
70.86444	0.4
71.01377	0.6
74.33434	0.3
79.95738	12.2
80.96523	6.9
83.05029	1.5
85.03011	0.4
89.38050	0.3
93.03458	3.4
95.05010	0.4
96.96026	5.2
97.02968	0.5
98.21811	0.9
98.24850	0.3
107.18716	0.3
109.02978	0.4
111.04516	3.7
113.06112	0.6
119.05034	4.9
122.03681	0.7
124.05328	3.8
125.06100	0.8
135.04501	0.4
137.06123	1.6
139.07666	19.8
140.08011	0.9
155.03499	0.8
163.04085	2.8
168.07848	0.7
193.06616	0.5
195.08176	0.9
211.07643	0.5
213.09178	0.9
223.35298	0.3
231.10219	0.5
239.12941	1.3
249.04376	5.1
289.07498	2.2
319.08557	100.0
320.08881	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62496	1.4
51.87073	1.5
53.67178	1.7
59.01384	25.3
66.17361	1.8
70.59426	3.2
71.01384	16.0
72.02139	2.7
72.99319	1.6
73.02946	2.7
80.02695	1.8
85.02945	7.2
89.02456	12.7
93.07098	2.6
95.01434	1.7
95.05030	24.8
96.96004	1.6
101.02438	7.0
107.42712	1.5
107.94160	1.6
109.06548	3.3
113.02488	10.6
113.06103	100.0
114.06448	2.5
119.03510	3.4
123.04464	1.9
124.48271	1.6
125.02495	2.1
127.07637	6.4
137.02451	2.8
137.06088	17.9
139.04041	4.9
145.03040	1.8
151.00415	2.3
155.07146	2.1
157.05077	76.0
158.05409	3.2
161.04486	2.5
177.01962	2.1
181.05032	4.9
191.05594	3.3
199.06129	3.4
229.07205	2.0
259.08301	2.8
280.80527	1.8
301.03323	2.2
306.72952	1.6
319.10327	2.0
319.13681	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1302
Annotation	Formylfusarochromanone
Peak:m/z	Relative Intensity
59.01381	10.9
62.90725	1.3
69.03042	13.4
69.03455	2.7
71.01390	8.0
73.02944	1.9
81.03487	1.5
83.01394	2.7
83.05022	3.4
85.02950	4.8
86.02471	4.5
87.00894	8.6
89.02446	4.3
93.03465	7.8
95.01447	1.4
95.05045	8.7
97.02994	2.4
97.03619	1.3
99.00947	2.0
101.02451	3.7
108.02180	2.2
109.02937	7.8
110.90384	1.6
111.04533	2.8
113.02447	3.6
113.06087	11.6
114.93449	2.3
117.03461	1.9
117.05173	1.3
119.05056	3.2
120.99648	2.2
121.02959	3.4
122.03749	4.2
122.06114	3.2
123.04530	16.0
124.04124	1.5
125.02427	1.7
134.06136	9.9
135.04556	2.1
135.06769	1.3
136.07675	14.6
137.02431	2.2
137.06084	3.7
139.04048	3.4
145.02975	5.4
149.04851	10.6
150.03172	1.5
155.03513	2.1
157.05075	10.2
161.04721	1.9
162.05594	4.0
163.03947	3.1
164.07187	24.3
173.04521	3.0
175.03975	4.9
181.71681	1.3
185.07196	2.2
189.05452	2.8
189.06886	2.3
191.05574	8.9
197.07257	2.1
202.08751	5.6
206.08275	2.4
211.05101	44.8
211.08958	1.8
212.09544	1.8
213.10359	6.2
215.11890	2.9
215.18825	1.5
219.11401	10.8
225.06697	3.9
225.10283	1.9
226.07399	3.1
227.08356	1.9
229.05045	1.5
229.09789	2.3
233.04582	8.3
233.09283	6.8
239.08519	1.4
240.08920	1.8
241.09879	17.5
242.02193	1.9
243.02939	4.9
243.11453	11.0
245.12953	2.4
253.09792	3.7
256.08533	4.6
257.09363	3.1
258.05170	2.1
265.58548	1.6
265.99930	1.8
269.09369	2.9
270.10138	3.8
271.10901	100.0
272.11188	6.2
283.10803	2.3
285.08823	4.0
289.12018	12.5
290.12289	1.9
299.05609	7.9
301.11954	13.0
303.09976	3.5
319.13025	85.0
320.13358	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1401
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
53.87694	1.6
55.01876	3.0
57.03450	2.6
58.00585	6.2
59.01380	100.0
69.24146	14.6
71.01387	67.0
72.99326	5.5
73.02944	6.6
75.00848	2.7
75.14474	1.5
77.38545	1.6
78.73123	1.6
83.01392	4.7
85.02950	16.6
86.41467	1.6
87.00864	4.7
89.02449	68.4
93.03475	5.7
95.01392	3.2
96.96011	9.4
99.00917	2.7
101.02454	40.7
109.02964	1.9
111.04522	1.8
113.02444	22.9
117.03469	3.2
119.03511	25.8
119.05031	4.7
123.31483	1.7
125.06068	1.8
131.03503	2.6
139.07661	48.8
143.03482	3.6
143.07137	2.9
145.02960	13.1
145.06636	1.8
157.08708	6.2
161.04565	6.0
179.05600	4.2
195.08141	9.4
211.07622	2.7
213.07463	1.9
213.09169	11.1
217.10913	2.9
221.07178	1.7
227.07135	3.0
250.49710	1.8
275.15100	3.1
289.09995	2.4
319.08386	7.6
319.14044	39.9
319.17621	3.9
320.11185	2.8
320.14441	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2281
Annotation	19S-HETE
Peak:m/z	Relative Intensity
50.70822	0.5
62.27209	0.5
69.50376	2.1
77.14053	0.5
79.95735	2.0
80.96500	0.8
98.22521	0.8
138.02341	0.6
145.02919	0.7
319.22797	100.0
320.19043	4.7
320.23145	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	10.9
59.98537	3.1
70.34316	8.3
77.32430	2.6
83.05046	3.1
87.17996	2.4
99.04530	84.6
125.09705	8.3
164.75499	3.1
191.14407	6.0
193.12314	22.6
203.08847	2.7
275.23804	4.3
277.14304	4.2
281.77689	2.9
301.21710	4.4
319.19553	3.5
319.22778	100.0
320.23087	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18237	1.5
57.03185	2.0
57.03455	38.8
59.98512	4.8
66.60464	1.3
70.14256	4.2
71.05019	7.2
79.21619	1.5
79.95715	1.3
83.05012	5.3
85.06573	1.2
85.35900	1.4
99.04532	30.0
123.08214	2.1
137.09697	2.4
145.02992	1.9
153.12871	1.7
155.78645	1.5
210.33615	1.5
219.75127	1.6
248.65617	1.5
257.22745	7.1
259.20740	4.1
261.18616	22.9
275.23782	3.1
301.21741	9.8
319.22791	100.0
320.23181	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2282
Annotation	19S-HETE
Peak:m/z	Relative Intensity
55.95623	0.6
62.80285	0.6
69.10027	3.6
69.10457	2.5
74.67709	0.6
78.59400	0.7
98.63610	0.7
100.67030	0.6
102.40987	0.7
140.21313	0.6
186.39520	0.6
230.91936	0.7
235.84438	0.7
249.65585	0.6
258.52213	0.7
302.27161	0.6
319.22797	100.0
320.23108	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
55.25407	1.6
57.03450	2.0
59.01383	100.0
60.01726	2.0
66.16415	1.8
71.01390	27.0
71.30656	2.2
73.02948	7.9
79.95748	3.3
82.10175	1.7
83.01395	3.2
85.02958	16.3
89.02437	6.0
91.69740	1.7
93.03468	5.6
95.01424	2.5
95.05058	2.5
96.96033	7.7
97.06597	14.4
99.00871	4.7
101.02454	14.1
101.61738	1.6
102.02808	2.3
109.02962	4.4
111.04536	2.6
113.02449	10.4
115.07640	4.5
119.03513	2.1
119.55293	1.6
121.02966	2.1
123.04559	9.3
125.02413	2.7
127.04062	1.7
137.02502	2.6
145.02979	2.2
159.02998	3.1
159.06638	31.3
161.04561	55.6
173.04630	2.4
173.06096	1.7
175.04004	3.3
183.06628	2.0
188.05673	8.1
189.05518	2.9
191.05623	5.6
197.51775	1.8
211.05104	19.2
211.55202	4.2
233.04607	2.4
243.03183	1.9
260.11386	3.0
271.06125	2.0
299.05698	3.6
321.10202	5.4
321.15558	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	5.8
57.65153	3.3
57.94226	3.0
58.00580	5.3
58.02987	6.6
59.01379	34.3
65.86249	3.2
67.01901	4.8
68.99828	3.8
69.03474	10.9
71.01392	35.8
71.26806	5.8
72.99318	9.0
73.02933	5.2
74.99090	4.7
75.52129	3.1
78.95911	15.5
81.03466	10.0
83.01393	10.0
85.02958	63.7
87.00887	11.2
88.04064	4.9
89.02456	10.1
92.26830	3.9
93.03479	12.1
95.01392	11.2
96.96976	5.8
97.02960	26.5
97.03509	4.4
98.06115	5.3
100.04028	3.9
101.02465	17.1
108.02196	4.8
109.02968	100.0
110.00099	15.4
111.00892	92.1
113.02475	12.2
114.05642	5.3
115.00397	5.5
119.03536	4.9
119.04998	4.5
121.02975	20.9
122.03754	4.6
123.00916	11.3
123.04531	4.9
124.01692	4.5
125.02438	14.1
135.04567	8.0
136.93985	7.9
137.02473	9.7
139.00430	8.3
140.37236	3.5
141.01953	11.7
142.05083	8.4
145.03018	4.2
146.03741	4.8
147.04547	4.2
149.02460	96.8
150.03278	24.1
152.01199	3.7
153.01952	82.0
160.06183	14.6
161.06114	9.2
163.04016	7.3
164.89584	27.8
171.04520	5.7
172.05350	12.4
173.06155	7.9
174.01793	5.2
174.03201	8.0
175.04025	6.8
177.01956	7.5
178.95076	13.1
187.04025	8.6
189.05626	14.5
194.02133	7.1
197.06064	6.0
199.04100	4.0
200.04846	6.6
201.05606	3.8
203.03496	3.9
205.04985	8.0
215.03523	4.8
216.04266	15.5
217.05084	50.8
218.05667	5.4
223.00209	4.7
233.04546	6.1
235.06201	4.4
241.04982	7.3
273.89117	3.5
278.96262	4.1
321.08624	27.6
321.11917	6.7
322.11646	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1347
Annotation	14-Acetoxy-5alpha-hydroperoxy-isoalantolactone
Peak:m/z	Relative Intensity
61.25081	0.6
77.47321	0.5
93.03446	2.4
108.02156	1.2
109.02941	1.1
113.06053	0.6
121.02962	70.4
122.03693	5.2
123.04573	3.6
123.08167	23.4
124.01631	0.7
135.04514	6.1
135.90446	0.7
137.02441	2.3
138.81158	0.6
139.51320	0.6
148.05331	1.3
149.06082	27.7
150.06502	0.8
154.02689	1.8
161.06071	1.4
163.07616	1.8
177.09259	3.6
187.07684	0.9
189.09164	1.0
203.10707	0.9
209.91521	0.6
217.12325	6.2
218.13120	43.5
219.13467	3.0
233.15509	2.8
245.11819	10.4
252.50917	0.6
261.11328	4.1
263.12823	3.3
277.14456	100.0
278.14853	7.7
321.13452	38.2
321.16599	1.4
322.13824	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17337	0.6
54.59455	0.7
55.01875	1.0
57.03444	1.2
58.00584	3.9
59.01384	100.0
60.01715	0.9
67.11988	0.6
69.27014	1.5
69.27416	3.1
71.01389	47.4
72.99313	3.4
73.02962	2.2
80.69374	0.6
83.01407	2.7
85.02958	8.9
86.72073	0.7
87.00400	0.7
87.00891	2.0
89.02454	50.9
90.02820	0.8
95.01378	3.1
99.00900	1.2
101.02449	27.9
113.02459	18.9
113.09738	1.5
114.70376	0.7
119.03510	24.9
119.04974	1.7
119.05855	0.7
131.03503	1.8
141.09227	7.2
143.03506	2.0
147.86671	0.6
149.04555	1.2
157.01414	0.9
159.10262	2.3
161.04617	1.4
179.05626	2.3
203.07227	1.4
204.16580	0.8
219.28270	0.8
221.04436	1.0
274.66299	0.7
321.15573	62.8
322.16000	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.7
55.30629	0.9
57.03448	4.5
57.58424	1.1
58.00604	5.3
59.01381	72.6
69.03448	1.4
70.18623	3.9
71.01388	100.0
72.01723	1.3
72.99319	4.2
73.02946	21.6
75.00883	1.4
77.27766	1.0
78.61919	1.1
83.01387	8.7
85.02956	37.3
87.00871	4.9
87.04543	1.9
89.02454	45.6
93.03468	2.2
95.00911	0.9
95.01398	6.1
95.05028	2.0
96.96027	1.1
97.02962	2.3
97.06602	8.5
99.00875	9.3
101.02451	64.0
102.02762	1.7
109.02976	2.7
111.04549	1.9
113.02454	36.7
115.07666	3.0
116.92874	10.2
119.03511	17.9
123.04551	3.1
125.02421	2.6
129.01883	1.5
135.04616	1.4
143.03500	5.2
147.04633	0.9
149.04568	1.7
159.03127	7.4
159.06628	18.7
159.10295	8.3
160.04059	19.7
161.04576	30.7
162.93208	1.0
173.04527	1.5
173.06010	1.9
179.05664	2.7
183.06668	2.0
185.06114	1.0
191.05714	2.0
211.05058	3.2
211.55264	8.9
215.03429	1.1
227.07108	1.3
245.08308	3.5
289.07269	2.7
320.57227	1.1
321.10098	1.4
321.15683	20.8
322.09338	3.3
322.15973	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
57.03440	0.9
58.00599	1.7
59.01382	48.1
62.95384	0.6
66.79433	0.6
69.04242	1.4
69.04664	3.4
71.01384	25.3
72.99308	2.6
73.02941	1.9
79.49790	0.6
79.95744	0.7
81.41540	0.7
81.95324	1.3
83.01390	2.3
85.02953	5.6
87.00879	0.8
89.02452	20.0
95.01391	3.0
96.96015	2.7
98.22479	1.3
101.02447	14.9
113.02453	8.5
113.09743	0.8
119.03510	7.1
121.03002	1.2
125.02491	0.8
131.03484	0.8
134.03728	0.6
139.49773	0.6
141.09227	13.9
159.10286	9.5
173.73647	0.6
318.43472	0.7
321.15558	100.0
322.12698	0.9
322.15970	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56574	0.8
59.01384	100.0
60.01733	1.3
69.15018	6.4
69.15434	1.9
71.01390	4.6
76.07114	0.9
79.86497	0.8
80.57477	0.8
85.02970	1.2
87.00863	0.8
89.02466	5.8
93.03462	0.8
96.96021	6.8
97.09442	0.8
101.02458	1.5
113.02448	2.1
115.00368	1.3
119.03482	1.7
119.05023	2.4
163.03975	1.4
175.02391	1.9
203.07111	1.5
205.00674	1.0
233.12079	4.3
252.81650	0.8
309.37207	1.0
312.95157	0.9
321.06555	1.6
321.13770	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2074
Annotation	Decahydro-alpha,4a-dimethyl-8-methylene-7-(2-methyl-1-oxopropoxy)-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
57.03450	2.7
59.01371	4.5
61.98808	3.8
63.34498	2.2
63.76957	2.4
67.42091	2.2
68.36700	2.4
69.03432	2.6
69.22464	19.9
71.05012	3.9
83.05051	3.9
86.18738	2.9
155.14520	2.6
163.68254	2.2
182.63902	2.6
235.70970	2.4
249.22260	46.7
250.22490	4.0
277.21750	100.0
278.22061	9.5
321.20605	4.4
336.40164	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2074
Annotation	Rapanone
Peak:m/z	Relative Intensity
59.01384	100.0
61.31939	0.7
62.45941	0.6
87.04523	0.9
96.11632	0.7
97.06586	0.8
98.21796	1.6
103.04005	1.0
106.27292	0.7
163.56047	0.9
205.15840	0.8
277.18848	0.6
277.21674	4.0
321.20731	53.7
322.20941	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2438
Annotation	Austroinulin
Peak:m/z	Relative Intensity
59.01383	100.0
59.19177	1.7
60.01720	2.2
61.98826	2.7
68.71976	1.6
70.04741	6.7
84.64442	1.9
91.56537	1.9
102.15025	1.8
103.27574	1.9
104.94956	1.7
123.11113	1.8
129.51848	2.0
131.39204	2.0
209.52028	1.8
223.10559	2.2
321.24368	39.4
322.24805	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0935
Annotation	Indole-3-carboxylic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
50.57185	1.5
55.01862	2.1
57.03453	1.5
58.00576	2.0
59.01384	100.0
60.01732	2.4
70.43423	5.2
71.01391	47.6
72.99303	4.3
73.02936	1.7
73.46403	1.7
83.01408	3.3
85.02951	13.8
87.00854	2.3
89.02454	56.7
95.01376	2.9
96.96100	1.7
98.22438	1.8
101.02462	25.3
110.91196	1.8
113.02469	19.0
116.05071	37.1
119.03518	22.9
119.05027	2.4
131.03531	2.5
133.22392	2.0
145.02983	1.9
158.98042	1.6
160.04056	60.6
160.05376	3.0
161.04428	5.2
162.27371	1.6
179.05663	3.9
202.05110	27.7
212.84036	1.5
232.06136	5.1
242.37137	1.5
242.39575	1.8
262.07199	35.5
263.07443	2.2
322.09369	47.9
322.15857	5.0
323.09531	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93674	1.2
59.01382	100.0
60.31049	1.5
69.44537	8.4
71.01375	9.1
73.02926	3.1
83.01375	1.2
85.02950	3.3
87.00861	2.3
89.02444	8.1
98.22298	4.3
99.00865	1.6
101.02463	7.1
110.33043	1.2
111.00870	2.5
113.02451	4.1
117.05582	22.2
119.03506	2.2
119.31146	1.3
122.37101	1.3
125.02436	2.2
133.02950	2.7
136.90506	1.4
139.04089	1.4
143.03496	1.8
160.09790	2.6
161.04535	2.8
263.11478	2.2
279.96490	1.4
323.13403	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03457	0.9
58.00593	4.0
59.01385	100.0
60.01717	1.4
71.01390	54.7
71.29075	0.8
71.43019	1.5
72.01736	0.9
72.99307	3.0
73.02960	1.5
76.63526	1.1
78.48353	0.9
83.01424	2.2
85.02955	12.1
87.00906	2.7
89.02455	65.3
95.01405	4.0
101.02452	32.8
113.02454	21.1
113.03183	1.6
119.03522	29.6
122.75452	0.8
129.01959	2.8
130.08754	0.9
131.03564	1.4
134.03777	2.4
135.04527	1.6
140.69791	1.0
142.06705	4.9
143.03510	3.3
148.40221	0.8
149.04541	1.9
160.07722	4.4
161.02472	4.1
161.04562	2.0
164.82970	1.1
179.03581	1.1
179.05629	2.8
181.51518	0.9
190.17662	1.0
193.05014	1.7
234.57930	1.1
236.16383	0.9
246.99883	0.9
322.13037	10.4
323.07819	2.3
323.13083	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2025
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
57.03440	0.3
58.02977	1.8
59.01379	0.3
71.31954	0.3
81.03448	0.5
92.44773	0.2
93.20480	0.2
95.05067	0.7
97.06628	0.5
103.30918	0.2
109.06585	0.5
127.07652	0.2
128.10835	7.3
129.11142	0.3
130.08748	100.0
131.09108	2.6
138.53860	0.2
165.12834	1.1
172.09837	0.5
209.11862	0.7
235.15245	1.1
278.63821	0.2
305.17639	0.4
322.20242	27.2
323.20688	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39684	2.6
57.03431	5.0
59.01380	27.1
69.03455	7.5
71.01387	25.1
73.02937	2.5
83.01394	5.9
85.02948	27.6
89.02444	6.4
93.03461	34.0
96.96020	3.0
97.92980	2.7
99.00285	5.5
99.00890	68.6
99.04547	3.6
101.02440	6.7
101.06080	4.8
102.13825	2.5
108.02160	4.6
111.00867	5.7
117.03474	22.5
119.05037	32.4
121.02959	2.9
123.04542	3.1
125.02414	4.2
130.04276	9.3
131.05066	16.7
132.05791	11.7
133.02989	16.0
133.06615	18.6
133.88777	2.7
134.03673	4.8
135.04553	6.2
137.02461	4.0
143.05025	13.3
145.02969	14.6
145.06615	28.5
145.07652	4.2
147.03038	7.9
147.04533	100.0
147.08194	3.0
148.04869	4.3
149.06071	11.5
156.05859	6.3
157.06593	12.3
158.03778	6.6
159.03061	5.7
159.04475	11.9
160.01695	5.1
160.05254	13.5
161.04689	4.6
161.06090	16.5
163.04053	4.6
163.07654	8.9
169.06601	24.2
171.04501	4.9
172.05264	3.7
173.06071	27.5
175.04004	39.2
175.07657	10.3
177.05568	15.4
187.04028	4.6
187.07649	72.3
188.08023	4.3
189.03970	4.5
189.05577	54.1
191.05713	3.0
191.07181	17.2
193.05002	4.6
201.05608	34.7
203.03554	20.0
205.05055	32.8
217.08693	4.3
219.06596	40.0
221.04564	43.2
221.06549	4.8
222.04776	2.9
231.06541	5.5
235.06071	6.3
235.09808	3.1
261.07684	10.0
263.05615	59.8
274.35709	3.1
279.08798	8.7
282.73602	3.0
323.07739	52.0
323.11389	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	29.0
63.87247	4.6
64.63442	3.8
69.03452	6.4
69.29127	31.6
71.01363	20.7
83.01379	8.3
85.02953	14.9
89.02474	5.6
93.03455	31.1
96.96030	4.6
99.00888	68.1
108.02181	4.3
117.03467	22.9
119.05025	33.7
125.02444	6.7
130.04260	9.3
131.05025	13.6
132.05782	9.2
133.02974	18.9
133.06613	11.4
135.04486	4.4
143.05022	15.0
145.02983	22.8
145.06593	23.5
146.04680	6.3
147.04535	100.0
149.06105	18.4
156.05814	5.1
157.06549	11.8
159.04539	9.8
160.05296	12.9
161.06097	19.8
163.03954	8.7
163.07661	6.5
169.06631	24.8
173.06061	21.8
175.04036	26.5
175.07648	12.7
177.05559	20.5
185.56067	3.9
187.03951	5.4
187.07655	62.1
188.07953	4.7
189.05560	55.0
191.07095	23.7
191.74184	3.8
193.04996	5.1
199.07674	6.1
201.05556	40.0
203.03558	28.7
205.05016	30.8
219.06593	39.4
220.06845	4.7
221.04558	41.0
231.06680	5.6
235.06110	10.0
263.05600	46.3
279.08957	7.0
294.14743	4.4
323.07767	41.5
323.11206	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93195	2.4
56.63084	2.0
57.03450	57.0
58.00585	2.4
58.84943	2.1
59.01384	100.0
61.36185	1.9
70.80129	5.0
71.01386	46.9
72.99298	3.2
73.02951	20.0
75.00872	11.3
78.95867	2.5
79.05582	2.7
81.03468	5.3
83.01397	5.2
85.02969	11.0
87.00864	3.8
87.04537	2.9
89.02453	58.4
95.01395	3.3
97.02983	3.5
99.04529	54.5
101.02451	51.3
101.03115	2.4
113.02474	19.1
113.06079	4.0
119.03512	16.1
121.88189	2.1
123.04559	9.0
125.02451	12.4
131.03514	5.5
141.05560	3.7
143.03535	20.9
149.04596	3.8
161.04568	75.0
163.03966	3.1
164.85036	2.0
179.05618	17.4
180.06708	3.0
180.94621	2.2
233.06627	7.0
235.08311	2.7
263.07776	9.7
271.89731	2.3
277.52768	2.2
323.09903	22.5
323.13293	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99915	0.6
58.00576	1.6
59.01381	42.4
71.01389	8.4
71.29242	0.9
71.29592	1.0
71.62135	0.6
72.99297	2.6
73.16846	0.6
80.96505	0.9
85.02966	2.0
87.00852	0.9
89.02440	8.5
96.96020	1.4
98.63376	0.7
100.92154	0.7
101.02445	7.2
109.40604	0.7
119.03539	1.7
125.02491	0.8
145.07736	1.9
146.04836	0.9
160.06424	18.3
161.07216	68.0
162.07527	2.7
175.04007	1.0
175.08774	38.4
176.09097	2.1
187.08868	1.3
189.06708	100.0
190.07098	3.9
201.05620	0.8
201.10353	0.7
201.89012	0.7
203.08269	35.7
204.08568	2.1
229.09834	0.9
255.55597	0.7
283.26749	0.7
295.13107	1.1
305.11313	1.0
323.12466	20.0
324.12717	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.8
57.03452	13.0
58.00587	3.8
59.01384	100.0
60.16438	0.8
69.22859	3.6
69.23284	3.3
71.01389	47.5
72.99309	2.8
73.02960	5.6
78.95913	1.5
83.01391	3.8
85.02958	9.8
86.85806	0.9
87.00884	3.2
89.02451	55.3
90.02765	0.9
93.03481	1.9
95.01408	4.0
96.70879	0.9
96.96007	1.0
99.00861	1.0
99.04536	8.7
100.87234	0.9
101.02454	35.2
104.20137	0.8
104.94254	0.8
113.02457	18.2
119.03513	28.4
123.04504	2.5
125.02460	2.3
131.03511	3.1
142.98024	1.0
143.03511	5.0
143.07188	1.2
145.02928	1.6
145.72408	1.0
149.04567	2.6
161.04579	18.1
173.04593	1.2
179.05650	7.8
235.45631	0.9
248.10330	0.9
263.07678	1.3
323.13480	72.0
324.13797	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.3
58.00587	4.1
59.01382	100.0
60.01719	1.5
60.18720	1.2
66.49450	1.0
68.37475	1.2
71.01385	50.0
72.99299	3.0
83.01379	3.9
85.02946	10.6
87.00891	1.7
89.02452	53.5
95.01403	3.1
98.21806	2.8
101.01807	2.3
101.02448	28.6
106.26518	1.3
113.00371	1.1
113.02448	20.7
119.03513	28.4
120.99610	1.7
125.02407	1.5
131.03534	1.7
137.02458	1.6
143.03555	3.2
149.04587	1.6
161.04514	2.4
179.05656	2.6
187.97888	1.2
201.05545	1.6
228.81924	1.6
259.06213	2.4
323.13483	82.2
324.13934	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97427	0.9
55.46696	1.0
59.01382	100.0
60.01708	1.4
69.94746	2.2
69.95142	2.4
71.01381	4.5
71.90392	1.2
85.02931	1.6
89.02449	3.8
101.02451	2.6
113.02451	2.0
129.26430	1.0
133.02922	1.6
151.03984	1.3
161.04587	4.2
176.04530	1.1
181.60115	1.1
202.80731	1.1
215.53778	1.1
229.69003	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.8
55.73166	1.0
57.03434	1.4
58.00593	3.5
59.01383	100.0
60.01711	1.4
69.43611	4.8
71.01386	51.4
72.99303	3.7
73.02944	1.7
83.01389	2.4
85.02952	9.8
87.00897	2.1
89.02452	59.2
95.01434	4.2
98.21816	1.7
99.08180	1.0
101.02452	29.8
101.03123	1.6
112.25583	1.0
113.02459	20.5
113.03266	1.0
119.03508	27.5
120.99667	1.4
121.07747	0.9
125.02462	0.9
125.98843	0.9
131.03517	2.4
138.40248	0.9
140.61249	0.8
143.03506	3.1
149.04607	2.1
161.04562	3.2
161.08112	1.0
163.03911	1.0
164.08206	1.0
179.05637	3.6
255.42650	1.0
298.36655	0.8
312.28021	0.9
323.13486	80.0
324.13785	3.9
332.83560	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.15
Annotation	14-Acetoxy-5alpha-hydroperoxy-11alpha,13-dihydroisoalantolactone
Peak:m/z	Relative Intensity
50.40134	1.1
59.01374	2.0
71.01402	1.1
71.31973	1.1
75.19183	0.9
83.10772	1.1
98.00092	2.5
108.02205	1.0
109.02979	2.4
111.00812	1.3
117.09743	0.9
121.02969	7.5
122.03757	13.2
124.01663	3.6
135.04477	1.7
137.02412	4.1
145.36600	1.0
149.06087	74.8
150.06413	2.6
154.02728	4.5
163.11823	1.0
177.09200	3.6
205.12344	3.1
218.13142	9.8
219.13484	1.2
246.12585	3.1
247.13376	23.6
248.13686	1.3
265.14459	11.5
266.15027	1.2
279.16028	50.2
280.16370	4.0
285.40356	1.0
291.12314	1.8
305.13950	9.2
323.15012	100.0
324.06595	2.0
324.15250	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1865
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
55.77628	1.2
57.03433	2.3
57.28257	1.0
59.01373	4.0
62.59728	1.2
69.00224	1.1
69.00516	13.8
79.05541	1.4
80.02699	2.3
81.03479	4.0
83.05019	7.4
95.05051	3.5
97.06596	4.9
107.05035	13.7
109.06644	2.9
109.13604	1.2
110.03751	1.3
113.06156	1.7
115.80334	1.1
121.02985	2.2
123.04529	1.7
125.02436	4.1
125.06083	5.1
125.09743	10.1
128.10864	1.4
130.08757	22.7
131.09126	11.3
133.02977	1.4
135.08206	6.7
137.06149	1.2
153.09245	15.3
163.11331	7.9
165.12842	3.6
166.03687	1.1
171.10417	1.2
175.66769	1.1
176.08476	2.7
178.10037	1.6
181.12323	2.3
185.11862	4.1
191.10811	2.2
197.11836	13.3
207.10251	9.8
209.11844	100.0
210.12224	7.2
225.11319	6.5
231.07768	1.2
236.10501	3.0
236.15561	3.2
243.17560	1.7
261.18503	5.5
265.14267	1.4
269.15573	1.7
271.08850	1.1
277.18048	1.4
279.19690	5.5
287.16440	10.5
288.16925	1.6
305.17593	91.7
306.17905	7.4
323.18143	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1867
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
59.01371	4.9
61.98818	4.2
66.08246	2.6
67.09147	2.2
67.38078	2.7
70.05704	2.4
70.43604	2.6
70.91134	5.3
80.02688	2.7
81.03407	3.0
83.05016	9.5
97.06601	3.1
99.72188	2.7
107.05021	15.3
119.04988	2.7
121.02954	3.5
123.04510	3.8
125.02451	3.3
125.06096	8.9
125.09724	10.2
135.08186	6.0
153.09250	14.9
163.11221	6.3
165.12854	7.8
171.10316	3.8
176.08459	6.0
191.10637	3.5
197.11823	12.1
207.10320	6.8
209.11850	100.0
210.12158	4.8
225.11421	7.9
249.15222	3.7
261.18533	5.8
279.19720	5.0
287.16525	9.4
305.17587	84.1
305.21213	66.6
306.17874	5.8
306.21426	5.9
323.18576	12.1
323.22308	17.2
324.22644	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1869
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
57.03456	4.8
59.01379	9.2
71.01396	3.0
80.02695	6.0
81.03493	2.5
83.05046	7.8
86.04501	2.3
95.05064	6.4
97.02952	4.0
97.06602	58.8
98.22163	15.8
109.06602	38.5
112.84055	2.5
123.08217	6.4
125.09740	55.9
134.70959	2.3
135.08180	25.2
152.04805	2.9
161.06094	50.2
163.11307	5.3
181.12390	8.3
185.11775	3.7
185.21602	2.3
207.10269	18.8
209.11844	5.9
223.13531	2.4
225.11351	20.1
235.13391	4.6
243.17517	4.9
261.14972	3.6
261.18707	4.6
273.92944	2.3
277.18198	5.2
279.16052	75.6
279.19162	3.7
280.16339	3.8
287.16565	20.0
295.19229	2.6
305.17609	100.0
305.21149	5.5
306.17871	6.9
323.18649	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2228
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
55.44000	0.6
59.01363	1.0
68.50665	0.7
72.20885	0.6
78.81753	0.6
92.41254	0.7
102.33907	0.7
121.02973	0.8
123.04494	0.8
139.03972	0.7
156.04251	0.9
159.96254	0.6
165.09207	2.0
165.12833	1.9
167.14481	0.8
181.50375	0.6
181.69392	0.7
188.15186	0.8
193.12283	0.8
217.16055	1.5
261.22247	4.3
279.23267	0.8
287.20203	1.0
305.21225	100.0
306.21555	9.3
323.22247	17.4
324.22623	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.223
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
69.07803	2.0
69.08231	2.4
70.52585	0.5
77.30024	0.5
84.06848	0.5
95.05060	0.5
98.88616	0.5
123.04562	0.9
137.06181	0.8
137.09758	1.1
156.04320	0.6
165.09306	2.0
165.12895	0.9
167.14352	0.5
177.12868	0.7
182.83942	0.5
189.12885	0.6
207.13959	0.9
235.15257	4.3
258.82288	0.6
261.22205	3.8
287.20190	1.0
305.21240	100.0
306.21597	9.2
307.01050	0.6
308.07013	0.6
323.09763	0.5
323.16656	1.3
323.17966	1.0
323.22287	21.9
324.22562	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2594
Annotation	(plusmn)15-HEDE
Peak:m/z	Relative Intensity
65.16861	1.2
81.84641	1.3
91.87124	1.4
99.14326	1.3
110.96271	1.2
113.09719	2.5
180.11607	1.5
194.84108	1.2
199.13411	1.7
223.17047	19.2
224.17366	2.0
233.74290	1.4
279.30463	1.3
283.86200	1.4
305.24905	19.8
306.25104	2.1
323.19659	4.0
323.25919	100.0
324.26196	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71341	0.6
57.03435	0.8
59.01381	17.3
68.73169	0.6
69.94601	0.7
71.01390	3.3
71.26666	1.0
72.99306	1.4
73.02959	1.0
78.95918	1.1
84.99303	1.3
85.02979	1.4
85.93819	0.7
87.00878	12.2
89.02458	2.8
89.03996	2.2
91.95982	0.7
93.03441	0.8
99.04520	2.0
101.02451	4.3
103.00378	5.5
103.04048	1.0
112.98817	11.9
113.02494	1.4
117.03486	10.4
119.05028	1.4
130.99857	0.8
134.03755	98.4
135.04051	3.7
137.02492	1.1
149.00937	3.1
149.06081	8.6
161.04599	1.6
163.06131	2.2
166.21115	0.8
178.02739	4.5
179.02921	0.7
181.07201	4.4
193.05069	100.0
194.05400	4.7
279.01865	1.8
325.11392	3.4
325.90433	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81827	1.2
51.10137	1.1
53.07409	1.3
54.67333	1.2
55.17034	1.2
59.01382	15.4
71.01376	5.0
71.29657	2.3
72.99303	3.5
85.02950	1.9
87.00883	11.3
89.02444	2.6
89.04014	1.6
91.84063	1.2
101.02447	4.1
103.00374	3.5
106.04294	1.2
109.02934	3.9
112.98811	9.2
113.02488	1.5
114.73315	1.1
117.03484	11.1
119.05042	100.0
120.05363	3.9
134.03754	96.0
135.04295	2.5
137.02495	1.9
145.02972	10.0
149.00937	18.9
149.06120	6.5
163.02609	3.6
163.04022	75.7
163.07642	2.8
164.04340	2.8
171.64005	1.5
172.25604	1.3
178.02724	3.9
179.03467	2.2
189.05623	1.6
193.05078	95.6
194.05417	4.6
262.40176	1.2
281.25256	1.2
289.07193	3.4
325.05789	1.7
325.09479	3.2
325.13281	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.093
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
52.07575	0.5
56.02052	0.6
59.01375	1.7
63.80489	0.8
68.65108	0.6
70.65225	1.2
71.01385	1.2
93.03432	0.9
94.59018	0.6
109.02953	1.1
113.49026	0.6
117.03457	5.6
119.05036	100.0
120.05364	3.7
123.04454	0.7
137.02449	0.9
145.02965	25.6
146.03294	1.2
160.47966	0.6
163.04019	76.0
164.04356	3.1
187.04002	0.9
203.07040	1.0
245.08353	1.2
289.07162	4.9
297.09109	0.6
325.09189	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78043	0.3
59.01098	0.4
59.01383	6.9
66.89310	0.3
69.07943	0.8
69.08355	2.2
71.01386	3.6
80.67666	0.3
85.02957	0.7
86.97632	0.3
89.02448	2.1
91.69455	0.3
95.01417	0.4
96.46500	0.3
101.02444	1.3
113.02468	0.8
117.03472	21.6
118.03815	0.6
119.03577	0.5
119.05040	5.8
120.05392	0.3
131.03552	0.5
134.03734	0.7
145.02965	100.0
145.93901	0.3
146.03305	4.7
159.04466	0.4
161.06133	1.2
163.04025	9.5
187.04036	2.5
193.05031	1.0
205.05107	1.5
235.06161	0.6
265.07199	1.2
290.63156	0.4
325.09396	3.2
326.35132	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0931
Annotation	MEGxp0_000552
Peak:m/z	Relative Intensity
58.00584	0.4
59.01383	6.4
59.45721	0.3
66.24897	0.2
69.52174	1.2
71.01389	2.9
72.99320	0.3
82.75964	0.3
85.02968	0.8
89.02454	2.5
89.04006	0.3
89.38992	0.3
93.92622	0.3
101.02455	1.0
107.76727	0.3
113.02478	1.0
117.03477	20.4
118.03826	0.8
119.03513	0.9
119.05035	4.9
133.06561	0.7
145.02966	100.0
146.03320	4.7
159.04443	0.3
161.06104	1.3
163.04024	8.0
177.05614	0.3
187.04024	3.0
205.04965	1.4
235.06091	0.5
265.07187	1.6
325.09302	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47393	0.3
59.01379	6.0
60.16621	0.3
67.55858	0.3
69.03249	2.9
70.83282	0.3
71.01391	2.9
78.04214	0.3
85.02937	0.5
89.02444	2.6
98.21735	0.3
101.02456	1.3
106.10799	0.3
112.52251	0.3
113.02466	0.9
117.03470	20.5
118.03819	0.6
119.03571	0.7
119.05042	5.4
120.05480	0.4
133.06618	0.6
145.02960	100.0
146.03302	4.1
158.84694	0.3
159.04462	0.4
161.06094	1.4
163.04021	7.9
164.04387	0.4
177.05663	0.4
187.03987	3.2
188.04427	0.4
205.05074	1.7
235.06131	0.5
264.93597	0.4
265.07126	1.9
289.07004	0.3
325.09271	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1083
Annotation	Moracin O
Peak:m/z	Relative Intensity
59.01374	1.2
61.44584	0.6
66.23420	0.6
66.40299	0.7
69.47949	1.5
69.48367	2.7
72.36224	0.7
72.97912	0.7
93.03458	1.7
96.53223	0.7
109.02959	0.9
121.02966	2.0
132.02336	0.7
133.02969	0.7
145.02998	1.0
149.02411	0.7
159.04510	1.3
167.08632	0.9
173.02411	1.6
175.04004	0.8
187.04103	0.9
188.76608	0.7
193.06598	1.6
195.02940	0.7
195.04550	3.3
195.06348	0.7
195.08180	2.6
196.05203	1.7
197.06053	1.7
205.06676	0.9
209.06096	0.9
210.06689	0.8
211.04178	1.3
211.07695	4.4
221.06084	4.1
222.06837	1.9
223.04018	2.4
223.07690	3.0
224.04776	2.5
225.05603	2.1
230.26138	0.7
233.06006	0.7
237.05573	10.4
238.06302	4.9
239.07137	8.6
248.04732	2.8
249.05580	10.5
250.06322	3.0
251.03467	4.4
251.07153	2.0
252.04214	0.8
265.04996	3.2
266.05795	5.0
267.06625	39.9
268.06976	2.6
277.05084	3.7
278.05795	1.9
279.06686	2.9
281.08237	2.7
282.08749	1.0
284.12561	0.7
294.05634	0.9
294.09045	1.7
295.06134	100.0
296.06491	8.7
309.07700	3.5
310.08493	68.3
311.08875	6.6
325.10825	98.2
326.11160	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1141
Annotation	beta-D-Galactosyl-(1->4)-L-rhamnose
Peak:m/z	Relative Intensity
50.14335	1.3
53.82113	1.3
55.01887	1.9
57.03185	2.1
57.03451	40.1
59.01381	78.3
68.66983	1.3
70.61856	3.2
71.00986	1.9
71.01381	31.9
71.50190	1.3
72.99307	2.2
73.02966	11.5
74.99088	1.4
75.00855	3.4
77.82291	1.3
81.03455	2.3
83.01394	2.5
83.05003	2.5
85.02960	9.9
89.02448	24.0
97.02954	3.2
99.04523	36.2
101.02451	49.0
102.02814	1.6
113.02473	12.4
119.03498	10.2
125.02452	11.4
131.03481	4.8
133.91853	1.4
143.03523	2.8
145.05103	8.4
161.04553	15.8
163.06129	30.3
179.05615	1.8
181.07188	100.0
182.07494	1.9
223.08214	12.2
307.10364	2.9
320.20020	1.4
325.11401	66.0
326.11685	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1143
Annotation	Neohesperidose
Peak:m/z	Relative Intensity
50.15965	1.6
55.01873	3.1
57.03181	2.2
57.03451	37.1
58.00594	4.1
59.01385	100.0
68.01411	2.6
70.62710	1.5
70.63094	3.7
70.99899	2.2
71.01390	50.5
72.01736	1.6
72.99302	3.1
73.02966	13.8
74.99392	2.0
75.00874	2.2
81.03468	2.3
83.01405	3.7
83.05038	2.2
85.01439	2.3
85.02948	11.2
87.00889	3.1
89.02454	50.3
95.01399	2.2
97.02966	1.7
99.04539	34.4
99.98895	4.0
101.00956	5.9
101.01821	2.9
101.02453	50.2
102.98898	3.2
111.02014	31.4
112.98835	1.9
113.02471	14.6
114.98877	5.5
115.04044	2.1
115.87435	1.9
117.00465	13.4
119.03508	19.1
125.02435	9.3
126.01969	4.7
126.98846	5.2
131.02000	3.0
131.03546	4.4
134.03769	4.8
141.00430	7.1
142.52589	1.6
143.01994	6.6
143.03499	4.5
144.99934	5.7
145.05103	14.5
148.02562	2.6
150.00496	11.2
150.99985	4.8
152.02007	7.1
155.01976	3.3
156.99989	4.2
161.04576	17.8
163.06155	31.6
165.99913	2.9
169.01047	6.1
171.01450	2.2
174.99977	5.2
179.05646	6.7
181.07191	80.9
182.02817	2.4
182.07591	2.7
183.01465	9.4
184.01062	10.9
191.99971	2.9
192.01556	33.0
193.01428	3.8
193.05118	8.8
207.04599	1.8
208.00975	2.1
209.01851	3.9
210.02789	2.7
211.02156	15.1
213.02542	6.7
222.02539	2.2
223.08307	10.5
234.02635	2.8
235.02089	4.8
265.03064	2.3
277.76605	1.8
282.04773	3.8
300.05927	3.3
307.10507	4.6
313.14615	1.9
325.05463	26.0
325.11404	65.3
326.05618	3.1
326.11548	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1295
Annotation	Hinokitiol glucoside
Peak:m/z	Relative Intensity
53.98111	0.4
55.01881	1.1
57.03453	97.4
58.03787	1.0
59.01384	3.7
61.73280	0.4
61.90228	0.4
69.18250	2.4
69.18656	1.2
70.34263	0.4
71.01392	19.7
73.02956	6.4
83.01410	2.6
85.02957	8.5
87.00929	0.7
89.02470	0.6
95.01424	1.5
99.00876	2.1
101.02454	8.7
113.02461	8.8
119.05011	1.0
125.02459	0.5
145.02942	0.5
159.02985	1.6
161.04568	8.5
163.07668	100.0
164.07977	4.9
193.05150	0.5
211.47823	0.4
244.97639	0.5
323.90759	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	14.0
65.24290	15.0
68.98712	100.0
68.99113	31.8
96.96016	50.8
98.22511	36.0
118.06245	13.0
171.10344	18.7
181.10219	79.0
225.09216	63.0
226.09691	14.7
265.14798	49.4
323.93619	15.8
325.18494	14.0
325.23865	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74015	1.0
59.01384	100.0
60.01709	2.0
69.69196	1.8
69.69607	4.1
71.01384	4.7
73.02945	2.1
85.02966	2.4
89.02460	2.8
92.63535	1.2
96.84337	1.1
98.21791	1.1
99.00919	1.2
101.02477	4.7
113.02518	1.3
117.03468	3.8
117.05609	1.3
119.05037	2.6
122.32880	1.1
134.03723	2.5
145.02980	16.5
161.04608	5.1
163.04034	3.1
184.01042	1.7
235.47942	1.5
265.12900	6.5
266.13007	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1658
Annotation	Naematolin C
Peak:m/z	Relative Intensity
57.03428	0.4
59.01382	13.1
62.32389	0.3
69.03429	0.4
69.10112	3.0
83.02589	0.3
83.05012	0.4
84.02132	0.4
88.59741	0.4
98.21933	1.3
98.22617	0.6
100.27520	0.3
104.30003	0.3
109.06583	0.6
121.06624	0.3
125.09692	0.4
153.09132	0.3
164.61992	0.3
171.10225	1.2
185.11877	0.4
187.11221	0.6
190.17827	0.3
191.14377	1.2
193.16052	0.6
197.11853	0.7
203.14445	3.7
221.15477	100.0
222.15816	6.8
237.15013	3.7
239.16541	0.5
247.13374	0.6
263.32666	0.3
265.14459	30.0
266.14832	2.3
283.15524	50.8
284.15814	3.8
289.18192	0.5
307.19150	0.4
325.16653	15.7
325.20288	2.1
326.16846	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2024
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
54.58146	7.4
57.03446	8.7
59.80668	9.3
63.76925	7.4
70.41529	8.8
70.41846	15.4
71.05012	13.0
93.45602	9.8
97.06590	13.8
97.82770	8.0
115.07673	19.9
125.09718	15.5
127.07661	13.2
129.26389	7.8
151.11307	49.8
153.12830	17.3
160.84186	10.2
171.10266	22.6
197.11887	33.8
199.13457	27.5
209.11816	13.2
215.12955	43.4
227.12880	76.6
229.14442	100.0
235.13574	10.4
269.21371	8.7
289.17944	13.5
307.19247	60.6
325.20142	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01463	1.6
57.03448	2.2
71.01389	4.9
71.05009	3.3
72.02158	1.8
80.02673	1.7
83.05032	4.5
84.02185	5.5
86.74372	1.5
95.05048	2.1
97.06613	4.6
99.04536	1.9
99.08167	3.1
112.05316	2.0
115.07665	4.4
118.16840	1.8
123.08130	1.9
125.09747	5.7
127.07678	13.9
135.08176	3.3
139.07611	5.4
150.10704	1.6
153.09241	19.9
155.10820	5.3
159.02785	1.5
163.11308	5.1
165.12836	2.4
171.10281	19.8
178.10036	2.4
185.11896	15.8
197.11838	17.6
209.11842	69.1
210.12202	5.0
238.12154	6.8
245.19217	2.0
267.16025	2.0
289.18088	9.1
307.19186	100.0
308.19528	10.9
325.20212	32.9
326.20486	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2022
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
54.25312	1.4
59.01387	2.4
61.07742	1.4
61.98839	2.1
68.82906	1.3
69.08236	10.2
72.84127	1.3
79.43089	1.3
80.02654	1.4
81.03454	2.2
83.05021	8.2
84.02177	1.3
97.06595	3.0
98.28474	1.3
109.23800	1.8
112.05327	2.1
115.07631	8.3
125.09703	2.5
127.07635	1.7
127.11229	1.7
131.21762	1.5
137.09798	1.9
155.10829	6.7
160.84225	2.2
163.11310	5.9
165.12875	3.9
178.10060	6.9
181.00853	1.2
181.12149	1.5
191.10760	3.2
209.11844	100.0
210.12155	3.8
210.26430	1.6
269.63257	1.8
281.21185	1.5
289.18106	4.1
306.24799	1.3
307.19174	92.5
308.19473	10.4
325.20410	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.8
59.01383	2.8
71.01389	5.9
71.05031	2.1
71.31911	2.4
74.46580	1.6
81.03456	1.6
83.05031	6.1
84.02166	2.8
99.08179	3.2
109.06580	2.0
115.07663	3.2
124.92042	2.0
125.09730	2.5
127.07671	12.9
135.08203	2.1
139.07686	3.3
153.12955	1.8
155.10735	3.3
159.16083	1.8
163.11340	5.0
165.12874	3.0
171.10272	1.9
178.10054	2.7
185.11885	15.8
197.11838	20.6
198.12131	1.8
209.11848	100.0
210.12186	5.2
227.12894	4.4
238.12120	7.0
239.16406	2.0
245.18898	1.8
251.16556	2.1
256.13205	2.8
263.20175	2.1
281.77618	1.7
289.18051	5.7
292.46536	1.7
307.19183	78.2
308.19485	6.3
312.10043	2.0
320.79089	1.7
325.07196	2.5
325.20261	35.0
325.23975	3.8
326.20471	3.2
334.17755	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18384	1.7
57.02199	1.6
57.03439	6.8
58.00603	2.8
59.01364	4.4
61.98816	2.0
64.53417	1.6
69.03437	3.6
71.01377	2.6
71.05016	5.9
72.40582	1.8
72.67543	1.5
76.19094	1.7
80.02667	2.6
83.05026	3.9
85.06622	1.6
87.04522	2.5
95.04998	2.1
97.02966	3.2
97.06584	8.4
109.06601	15.2
111.08172	15.0
115.07740	1.8
119.05260	1.8
120.44688	1.7
123.04524	2.2
123.08132	4.4
125.09724	17.5
127.07669	2.5
127.11270	7.5
135.08101	2.2
137.09705	4.2
141.09224	1.8
151.11293	2.8
153.09233	4.2
155.10785	2.5
167.10754	3.2
169.12297	5.5
171.10280	11.6
181.12355	3.3
193.12372	2.1
195.10255	2.4
197.11826	29.3
199.13380	2.7
201.11330	47.8
209.11784	3.6
211.13438	28.3
213.11369	26.1
235.13396	6.9
236.88821	1.7
237.14990	7.3
249.14978	2.5
289.18158	18.3
307.19135	29.8
308.19482	2.5
325.20215	100.0
326.20486	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28310	23.6
60.95237	22.8
62.25525	21.8
66.61184	20.8
69.12025	94.0
69.12454	100.0
85.02916	25.9
102.89697	23.8
115.74113	25.9
125.09715	42.6
137.09619	25.1
174.90401	24.5
207.10143	29.1
209.11998	49.6
211.04103	46.5
239.03500	64.1
267.03003	45.5
282.05331	37.5
307.19180	62.5
325.07306	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59274	10.3
60.20642	10.8
68.02968	9.6
72.15079	9.7
97.06582	22.1
115.07682	14.6
116.84048	10.9
125.09740	19.1
151.11363	13.3
163.11218	11.9
171.10301	16.1
209.11835	93.4
229.00381	13.3
279.02979	25.9
280.03802	29.9
295.06018	34.0
307.19046	100.0
310.08585	30.6
311.09219	11.5
325.10150	13.5
325.23785	27.8
342.07285	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2175
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
61.94325	1.2
70.60413	2.6
80.15584	1.2
148.79155	1.2
149.09743	100.0
150.10054	3.9
154.42470	1.4
163.11310	99.3
164.11632	4.9
176.73683	1.1
183.01277	7.5
206.89900	1.1
263.23764	1.2
281.24792	1.8
283.06909	1.3
325.18408	8.1
325.21759	77.9
325.27768	2.6
326.18735	2.3
326.22064	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94146	4.2
61.98811	6.4
64.40906	4.4
68.61187	4.1
68.76025	4.1
69.90383	20.6
71.16599	4.0
71.49284	4.8
72.35229	4.1
94.87354	4.9
97.06540	4.5
98.05954	4.8
121.10277	7.4
125.09687	6.0
130.00748	4.5
130.22807	4.5
139.11331	24.8
151.11311	14.3
160.84221	8.9
171.10280	45.8
177.12828	8.1
183.10313	7.2
193.12363	4.9
275.20132	13.3
293.21310	19.0
307.22836	30.6
325.18073	10.4
325.23859	100.0
326.23904	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2749
Annotation	Lesquerolic acid
Peak:m/z	Relative Intensity
62.42768	12.0
70.65866	28.6
108.58671	12.1
149.09741	25.6
164.20033	13.9
179.55975	11.5
183.01195	43.4
325.18414	80.3
325.27423	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69762	0.3
57.71175	0.3
61.98832	4.9
63.99277	0.3
69.60197	1.1
73.26779	0.3
82.95432	0.3
93.44370	0.3
110.61568	0.3
140.02043	2.7
141.99965	0.9
143.26593	0.3
181.95238	2.0
182.95389	0.6
183.95035	1.4
184.01024	100.0
185.01160	7.2
267.65472	0.3
326.02188	1.2
327.02560	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0216
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.7
58.24634	0.7
59.01379	3.8
59.03839	0.7
71.01389	3.3
74.99084	1.3
78.95921	0.9
85.02980	0.8
89.02435	2.5
93.58177	0.6
101.02451	2.3
109.02938	0.8
117.00421	0.9
119.03536	1.4
119.05016	2.6
120.05432	0.8
131.02075	1.1
134.04739	1.3
140.02042	3.6
141.00429	1.2
142.00713	1.0
147.04501	2.4
156.01448	1.2
156.99933	3.6
157.03554	1.9
158.01338	0.7
158.03700	1.1
159.01495	1.2
165.04213	0.8
165.05579	2.9
165.07703	0.8
165.99945	0.8
173.03122	1.9
183.01512	4.1
184.01016	100.0
184.99409	2.7
185.01181	8.9
199.00980	2.9
200.71678	0.7
208.93483	0.8
223.96147	0.8
326.02850	5.4
326.11362	0.9
327.02454	1.6
346.85120	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	27.0
62.74633	11.6
69.07203	100.0
69.07616	17.5
71.01385	19.3
83.01350	10.3
84.00903	16.8
89.02460	16.0
98.22488	20.7
109.02980	41.1
110.03331	11.0
119.05074	19.6
120.05369	19.3
121.02958	96.7
123.04537	14.1
125.02444	25.9
135.04564	16.2
137.02467	25.2
145.03021	18.5
146.03319	41.4
147.04539	12.4
161.06102	12.7
162.06483	15.2
163.04028	14.8
164.04330	20.3
179.03462	12.6
189.34793	11.5
190.06178	11.6
205.05037	25.3
206.05460	22.1
246.08647	14.8
266.07574	36.6
289.07230	70.7
290.07492	56.5
327.08978	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	12.2
62.58931	6.2
69.18705	27.7
69.19111	12.9
71.01429	5.4
92.06564	5.5
101.02437	10.9
109.02951	7.0
119.05087	7.8
120.16043	6.5
133.02951	5.7
145.02954	9.3
146.03563	6.5
163.04095	11.3
165.09253	9.0
167.07114	18.7
199.78468	5.9
211.07584	8.2
223.07701	7.7
225.05519	7.5
239.07098	6.7
251.06963	7.8
256.11044	21.3
265.08646	8.4
267.06741	15.9
267.10245	6.9
283.09796	23.8
284.10538	12.9
295.09848	15.2
296.10626	22.5
297.11359	9.9
310.08417	13.6
311.09256	71.9
312.10114	100.0
327.08701	18.3
327.12415	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	59.3
89.02445	42.6
94.83002	44.2
98.21716	85.9
128.03537	47.5
179.33447	40.9
207.37097	45.5
312.43704	42.7
326.12714	36.8
327.08807	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16641	0.7
53.24289	0.9
55.69487	0.8
59.01379	9.0
65.85885	0.8
69.33709	6.6
71.01389	5.4
73.02937	1.3
75.00903	1.3
84.97128	0.8
85.02969	2.1
87.00869	5.5
89.02466	1.9
93.03466	2.5
95.05035	1.1
98.21880	1.8
98.22518	1.7
101.02444	2.8
113.02433	2.2
119.03466	1.2
119.05024	0.9
121.02969	10.9
121.74221	0.8
123.04569	1.2
127.04140	0.8
127.82716	0.8
133.49036	0.7
134.04745	2.5
135.05136	1.7
149.02451	75.7
150.03239	65.3
151.03606	2.7
161.04529	1.3
163.03993	2.1
164.03484	1.7
164.04805	25.9
165.05580	100.0
166.06026	3.9
180.13448	0.8
184.01001	2.9
185.01118	1.5
192.79675	0.8
207.06549	2.0
299.38913	1.0
322.88101	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0877
Annotation	Kaempferol 3,5,7-trimethyl ether
Peak:m/z	Relative Intensity
53.47652	0.8
59.01382	1.4
69.05405	4.4
69.05814	4.8
87.55927	1.0
93.03473	36.5
94.03749	1.2
96.99306	8.2
98.22546	2.0
101.91428	0.9
117.03468	4.0
119.04188	1.8
119.05040	31.5
123.04534	3.3
130.04236	2.8
131.05061	9.1
132.05824	0.9
133.02994	5.6
143.03902	1.4
143.05048	28.5
145.03000	4.5
147.04529	1.4
159.04449	1.7
163.04013	15.2
165.05516	0.9
171.04469	3.3
205.44156	0.9
211.07701	7.8
219.08186	1.0
221.09708	1.6
223.07742	2.3
235.07707	5.9
237.09178	10.0
239.10927	1.0
247.07584	1.2
263.07025	1.2
265.08737	27.7
266.08987	1.9
266.66049	0.9
283.09866	3.4
298.23651	1.0
309.07715	8.9
327.08759	100.0
328.09134	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.4
59.01380	2.3
65.25562	0.3
67.08324	0.4
70.77065	0.7
71.01383	3.7
73.02947	0.8
77.03967	0.6
83.01385	0.4
85.02947	1.3
87.00882	5.1
88.53246	0.3
89.02444	1.3
93.03466	1.6
95.01409	0.9
95.05039	1.0
99.00893	0.5
101.02464	1.6
108.17989	0.3
108.96525	0.3
113.02452	1.5
119.05038	0.5
121.02965	10.6
122.03780	0.8
123.04530	0.6
128.82356	0.3
134.04723	0.5
135.04530	1.4
149.02454	80.6
150.03239	75.9
151.03574	2.5
156.30963	0.3
161.04520	0.9
163.04039	1.3
164.04807	28.8
165.05580	100.0
166.05911	4.2
177.01950	0.6
179.07080	0.4
184.01041	1.2
185.01166	1.0
186.00850	0.4
196.22511	0.3
205.56158	0.4
207.06561	1.3
228.20407	0.3
234.53380	0.4
335.02930	0.3
338.35764	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26825	0.9
58.00585	1.7
59.01382	39.0
70.84502	1.0
70.84845	1.8
71.01387	19.2
72.99296	3.0
83.01400	1.8
85.02937	4.9
87.00864	1.4
89.02448	18.5
95.01398	2.8
101.02455	13.5
103.05527	2.3
109.02959	1.7
113.02465	7.8
117.03453	2.2
118.03813	1.5
119.03502	7.2
119.04999	6.1
121.02955	0.8
123.04567	1.1
125.02464	1.6
137.02435	2.6
143.03482	0.9
145.02989	9.3
146.03314	6.6
147.03566	5.5
147.04536	100.0
148.04861	4.1
149.02432	1.3
150.03217	1.3
150.74574	0.8
151.04073	1.0
163.04036	1.0
164.04440	0.8
165.01927	1.5
165.05595	16.6
177.01936	1.2
179.05583	1.1
193.17558	0.9
203.07188	1.0
207.39467	0.9
229.15204	0.8
289.07236	6.3
320.37851	0.8
327.10864	47.6
328.11084	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	4.6
59.01384	100.0
61.31211	1.9
69.50052	10.4
71.01388	54.9
72.99317	5.3
83.01389	2.8
85.02963	6.9
89.02452	74.5
95.01392	2.2
101.02451	28.4
113.02457	16.8
119.03535	26.2
147.04538	85.1
148.04912	4.2
160.84250	1.9
165.09273	3.3
243.96121	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68595	2.2
57.03460	1.7
58.00593	1.7
59.01383	100.0
69.30557	6.4
69.30978	7.3
71.01388	57.0
72.87508	1.6
72.99290	4.8
73.02980	2.3
83.01379	3.7
85.02951	12.7
87.00865	3.5
89.02451	58.1
93.03486	1.8
95.01409	3.8
98.21897	3.6
98.76596	1.7
101.02453	28.8
109.02991	2.6
113.02458	19.4
119.03520	26.7
119.04975	8.4
120.30634	1.6
143.03514	2.0
145.02977	6.1
147.04535	79.8
148.04768	2.8
155.87515	1.7
161.04585	2.5
163.04068	9.2
165.05591	2.8
179.05640	2.1
251.17526	2.0
273.61206	1.7
327.11209	4.4
327.14645	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1087
Annotation	Androsin
Peak:m/z	Relative Intensity
59.01383	1.1
60.33112	0.4
60.96986	0.4
69.12899	3.5
71.01398	2.9
77.03955	0.6
85.02957	0.8
87.00880	5.2
89.02438	0.5
93.03464	1.3
95.01411	0.8
95.05083	0.5
101.02444	1.3
112.12000	0.4
113.02447	1.2
121.02956	9.7
122.03814	0.5
123.04502	0.6
149.02452	75.5
150.03241	69.2
150.04538	0.7
151.03580	3.0
161.04605	0.6
163.04042	0.9
164.04807	28.2
164.15999	0.4
165.05582	100.0
166.05907	4.2
195.67383	0.4
207.06659	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1087
Annotation	Paeonoside
Peak:m/z	Relative Intensity
54.68792	0.8
56.20665	0.8
57.03413	0.8
59.01385	28.0
60.07954	0.6
61.80455	0.7
69.16978	0.7
69.35420	6.2
71.01386	8.9
72.99326	1.3
75.00874	4.1
83.01385	1.1
85.02963	2.9
87.00904	1.1
89.02453	8.0
93.03474	5.3
95.01382	1.1
95.05006	1.2
101.02471	6.5
103.00359	0.9
105.01907	1.2
109.02973	3.4
113.02482	3.0
119.03516	3.8
119.05033	3.8
121.02950	0.9
121.06597	5.1
123.04532	3.0
125.02444	2.5
129.01970	1.2
129.03560	1.8
135.04523	2.0
137.02434	6.5
146.03741	1.1
147.04533	77.6
148.04918	3.1
149.02415	1.2
150.03198	1.1
151.04008	1.3
161.02501	1.1
163.04031	3.9
165.04106	13.9
165.05557	100.0
166.05887	4.9
177.02061	1.1
179.03545	2.2
203.07211	1.2
218.14951	0.8
245.08264	2.0
289.07220	9.1
291.08145	1.4
327.10880	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.8
58.00593	1.6
59.01384	39.1
65.76346	0.6
68.63546	0.6
69.18152	4.4
71.01387	21.2
72.99302	2.9
83.01382	0.9
85.02970	3.0
87.00864	1.0
89.02451	21.9
95.01403	1.3
97.28056	0.6
98.22559	1.5
101.02451	12.5
103.05572	2.9
113.02448	7.0
119.03514	10.3
119.05013	3.9
119.31530	0.6
131.03415	0.6
147.04533	100.0
148.04901	4.2
161.06146	0.8
165.01907	0.8
165.05577	14.7
211.42535	0.7
327.10883	53.8
328.11145	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1452
Annotation	Thymoquinol 2-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01882	5.0
56.43572	0.8
57.03449	3.7
58.00592	1.0
59.01384	35.3
61.09541	0.7
61.85041	0.5
69.03442	0.7
69.10119	1.7
69.10532	3.5
71.01388	35.6
72.99303	1.8
73.02955	14.6
75.00858	0.9
78.63767	0.7
83.01390	10.2
85.02959	20.2
85.70264	0.6
86.00116	2.5
87.00874	3.0
89.02453	7.7
91.39879	0.6
93.03469	3.6
95.01388	3.4
95.05054	1.2
97.02950	1.4
99.00880	5.0
101.02449	34.4
106.04269	5.2
108.02193	0.8
109.02972	1.0
111.00863	2.0
113.02466	14.3
119.03564	3.5
119.05037	7.3
121.06602	2.1
123.04530	1.1
129.01906	1.0
131.05049	0.8
133.02942	0.7
136.97917	0.6
141.01967	0.7
143.05011	1.5
145.03029	0.7
147.04547	2.0
149.04596	0.6
149.06029	0.6
155.00351	0.6
159.03035	2.4
161.04573	5.0
163.04041	5.1
163.11755	0.6
164.04384	0.9
164.08461	2.4
165.05574	6.2
165.09218	100.0
166.09564	6.3
181.08656	0.7
211.07777	1.0
237.09332	0.7
265.08652	1.5
291.08813	1.6
309.07623	1.0
327.08957	5.7
327.14511	96.8
328.09021	0.7
328.14780	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1815
Annotation	Botryoloic acid
Peak:m/z	Relative Intensity
52.18388	0.5
56.45030	0.5
57.03424	1.2
59.01382	30.2
62.77102	0.6
65.87382	0.5
71.01367	1.4
71.30843	0.7
72.40811	0.5
73.02945	1.2
83.45409	0.5
85.02938	0.6
89.02398	0.6
93.25034	0.5
95.91814	0.6
97.06508	0.5
101.02457	0.9
109.52901	0.5
109.93700	0.5
133.10223	1.1
165.12813	0.6
173.13341	1.3
175.14874	1.7
179.14465	4.1
185.04681	0.7
191.14452	2.5
193.16002	2.0
217.01411	1.1
221.15598	0.5
223.17110	1.1
239.16501	7.0
267.16022	39.4
268.16281	3.0
285.17087	100.0
286.17450	7.4
327.08713	0.8
327.18140	31.5
328.18542	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1816
Annotation	Botryoloic acid
Peak:m/z	Relative Intensity
57.03453	18.1
59.01382	39.0
60.01705	0.7
68.98848	0.7
69.03417	0.6
69.21757	4.2
96.96001	0.7
111.08152	0.7
111.67677	0.5
116.08464	0.5
123.08173	1.5
163.11241	1.0
165.12819	1.8
168.28116	0.6
189.12775	1.6
191.05524	0.9
201.12843	0.9
203.14302	0.9
205.15997	3.6
223.17024	6.1
239.16518	10.9
267.16016	60.7
268.16296	3.9
272.02539	0.5
285.17093	100.0
286.17474	7.2
327.18146	39.2
327.21497	1.2
328.18448	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71010	1.2
56.90698	1.2
63.78846	1.2
69.03452	1.4
69.36292	9.0
69.54551	1.4
71.01366	2.3
71.05017	2.3
73.02938	3.3
83.05019	5.4
84.02168	1.9
85.02969	1.4
97.06585	2.4
98.03771	1.7
99.08153	2.3
111.00863	1.7
111.08086	1.5
112.05302	1.9
113.09727	1.9
115.07692	3.8
125.09825	2.6
127.07647	1.6
127.11327	3.5
129.09227	15.2
137.09685	3.0
141.09233	8.9
155.10791	37.1
163.11317	3.1
163.19923	1.3
165.12819	1.8
171.10274	32.5
172.10593	1.4
183.13957	1.6
185.11816	30.1
189.05632	1.8
197.11833	30.8
201.11298	3.5
209.11841	52.1
210.12242	3.7
227.12788	8.1
247.20638	2.1
257.14029	2.6
291.19681	11.7
309.20749	30.3
310.21024	2.5
327.21768	100.0
328.22116	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2178
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
51.59825	1.1
58.00620	1.8
58.38318	1.1
59.39180	1.1
62.00470	1.2
97.06631	1.6
99.08162	1.4
110.67184	1.1
113.70958	1.0
115.07667	25.2
115.14709	1.2
129.09222	3.1
153.12839	10.2
153.13708	0.9
155.14455	4.3
171.10358	2.1
183.13924	6.0
194.92281	1.3
197.11826	12.0
199.13417	10.7
209.11887	1.7
211.13538	5.2
215.12883	11.1
227.12895	14.0
228.13152	1.3
229.14471	100.0
230.14807	6.0
238.07530	1.3
265.21677	1.3
291.19644	2.0
299.22281	2.8
309.20685	12.7
327.21860	12.1
328.22269	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2179
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
50.81896	0.9
59.01361	1.7
69.03464	5.3
70.04893	2.7
83.05010	1.5
108.05760	1.4
119.08675	7.5
120.77122	1.0
125.09731	5.3
127.11293	3.8
128.26416	0.9
135.08154	2.1
137.09734	27.4
138.10062	1.0
152.00299	0.8
171.10278	100.0
172.10600	3.3
175.43666	0.8
185.11807	1.3
201.09529	1.6
201.11342	24.0
202.11617	1.4
211.12456	1.1
213.11375	4.6
233.70259	1.1
262.81546	1.3
273.18600	1.7
291.19626	3.5
309.20743	8.0
327.21744	43.0
328.22015	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2178
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
55.01875	1.2
57.03444	2.2
69.03452	1.1
70.94085	2.0
71.05003	1.6
73.02966	5.0
74.18530	1.1
83.05012	1.3
83.32156	1.1
97.06589	3.3
98.03732	1.4
99.08160	3.7
109.63446	1.0
112.05342	3.3
115.07664	3.8
125.09739	1.0
127.07679	4.8
127.11307	2.8
129.08350	2.2
129.09238	31.3
141.09218	12.9
141.12834	2.0
155.10799	36.3
156.11082	2.3
165.12831	2.2
166.57639	1.1
171.10275	24.8
181.12418	1.4
185.11842	51.0
186.12160	3.1
196.49152	1.0
197.11838	46.1
198.12190	3.2
204.15828	1.0
209.11856	7.6
211.13405	1.3
233.23688	1.2
243.58824	1.1
247.20764	1.6
291.19690	16.3
292.19852	1.6
309.20718	33.4
310.21024	2.4
327.21774	100.0
328.22116	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2178
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03448	13.2
67.80458	7.7
69.04306	66.4
83.01391	15.7
83.05041	9.3
97.06609	13.8
98.22536	20.3
123.08155	12.9
125.09737	100.0
139.11301	13.4
163.11337	16.7
165.12819	9.2
167.10822	24.2
171.10239	18.5
192.67474	10.0
209.11865	31.9
291.19717	16.8
297.92590	9.7
327.21652	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79220	32.6
59.01382	39.0
61.98806	57.6
62.96356	36.0
65.72748	32.0
71.29510	54.6
77.02655	27.1
91.62972	29.3
92.92808	37.9
119.94726	38.7
120.22665	32.2
126.89376	36.2
127.48975	33.5
129.05600	72.7
148.40720	29.7
155.10779	42.3
162.83998	42.3
171.10272	55.4
215.16492	60.5
247.19131	35.8
327.21844	100.0
335.96262	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2179
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
54.37054	0.7
57.03450	3.6
60.38814	0.6
69.03439	2.7
69.05548	1.8
69.05966	5.2
80.61950	0.9
83.13496	0.7
84.02204	0.8
85.02962	13.2
94.33074	0.7
95.05028	0.9
97.02970	2.0
97.06588	4.3
98.22305	4.0
110.03770	0.8
119.08642	1.1
125.09715	1.5
127.11269	2.5
133.47241	0.7
135.82681	0.7
137.09702	3.8
155.10846	0.8
167.14427	1.0
171.10281	30.2
183.13898	2.9
185.11882	1.3
193.12338	1.3
201.11258	1.7
209.11769	1.9
211.13408	15.7
218.90297	0.7
221.11783	2.5
229.14438	11.8
239.12871	2.2
291.19647	2.4
303.49503	0.8
309.20715	1.1
327.21777	100.0
328.22037	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2543
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
61.61517	0.8
63.15124	0.9
124.20026	1.0
127.23649	1.0
171.10281	1.2
185.00667	2.3
263.23770	1.0
265.25375	69.8
266.25717	7.5
275.22986	1.2
283.22760	1.1
283.26468	1.9
308.34079	1.0
309.24356	25.4
310.24536	2.5
327.18616	7.5
327.25427	100.0
328.25797	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2907
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
50.07914	0.5
57.57003	0.5
59.51831	0.4
86.24085	0.6
93.95706	0.5
97.48181	0.5
134.55652	0.6
141.20384	0.5
179.35219	0.5
228.78210	0.6
231.50885	0.5
281.28534	5.3
282.29022	0.8
309.27982	0.8
325.27637	0.8
327.29065	100.0
328.29422	11.4
344.14844	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2908
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
50.92173	1.2
58.82635	1.2
59.01384	100.0
69.18433	4.6
69.18840	2.4
78.26010	1.3
83.20739	1.3
104.18623	1.3
122.61564	1.2
203.72748	1.2
327.18411	2.4
327.29068	56.8
328.29327	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86430	0.3
59.01383	46.8
61.98839	5.9
69.51388	0.6
69.51797	1.7
84.17377	0.4
85.00442	0.4
115.02531	2.8
117.00455	2.6
142.99553	0.9
143.01988	4.0
144.99986	0.5
157.03560	1.4
159.01509	63.2
160.01633	4.0
184.01033	0.9
185.01146	2.5
186.00778	3.6
186.98582	7.4
187.00993	100.0
187.98564	0.7
188.00955	7.1
196.49113	0.3
198.49242	0.4
201.02559	13.9
202.02724	1.4
321.45944	0.4
323.49173	0.4
329.02115	1.7
330.02161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98807	0.8
57.03458	1.0
59.01384	51.0
59.36364	0.7
61.98835	1.3
69.03448	0.8
71.01395	15.6
71.29036	1.2
72.99304	2.7
73.02948	4.5
77.87650	0.7
78.95901	0.9
83.01392	2.2
85.02958	7.1
86.00108	2.7
87.00882	16.4
89.02457	6.4
93.03467	2.4
95.01403	5.3
97.33537	0.7
99.00898	1.7
101.02451	9.5
107.03773	1.7
108.02161	4.4
108.04562	1.1
109.02969	4.4
111.00915	1.0
113.02458	9.3
115.02554	2.0
117.00486	5.5
117.01965	3.0
119.03523	2.2
121.02985	2.8
121.05367	1.9
122.03757	100.0
122.06130	32.6
123.00902	7.5
123.04582	14.7
124.04053	0.9
125.02458	1.9
129.01947	1.3
134.06146	3.6
135.03406	1.3
135.04530	2.5
136.04034	1.9
136.07707	13.6
137.02470	4.5
137.03598	2.0
137.06128	0.8
138.03241	1.1
138.05627	1.0
141.00432	0.9
143.02025	3.1
143.03606	0.9
146.06137	1.3
147.04532	1.0
148.04120	0.7
148.07655	1.1
149.02449	0.7
149.04874	1.7
149.05995	1.0
150.05623	76.8
151.00272	0.7
151.02524	1.2
152.01178	3.2
152.07222	4.8
153.01941	0.9
153.05595	1.5
154.90627	1.8
156.99947	1.7
157.03609	1.6
158.06187	0.9
159.01515	59.8
159.02908	2.8
160.01688	3.6
161.01285	0.9
161.04607	9.7
162.05627	2.3
164.07179	1.9
164.53973	0.7
165.05571	6.5
166.02824	1.0
166.05104	0.9
166.99939	0.9
167.03505	8.2
167.05820	0.8
168.99931	1.5
170.97955	4.4
172.97705	0.7
173.03082	0.8
174.05698	1.6
175.02768	0.7
175.06421	2.8
176.07208	5.9
176.58911	0.7
177.05656	1.8
180.03252	0.9
182.02275	1.5
184.01135	0.9
184.35182	0.8
184.99481	2.1
185.01273	2.5
185.03023	0.8
185.99255	0.9
186.00821	1.6
187.01006	87.1
188.01003	5.5
191.05641	1.5
192.06723	0.9
194.08279	2.4
197.04601	3.3
199.01099	1.6
201.00864	1.6
201.02591	12.9
202.02815	1.1
204.06638	1.7
222.07719	2.4
247.50131	1.0
252.08899	1.1
268.94577	0.9
269.01535	2.9
274.99399	1.4
285.09979	3.2
287.01074	0.8
293.08923	1.1
309.31000	0.8
312.07269	1.7
312.10925	33.7
328.96765	1.0
329.02197	2.7
329.09427	4.7
330.11945	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0668
Annotation	Dillenetin
Peak:m/z	Relative Intensity
53.78075	0.5
59.01374	1.5
70.93493	0.7
70.93834	0.8
76.68340	0.6
104.85180	0.6
107.01365	0.7
151.00383	2.5
161.02463	16.7
162.02826	0.7
183.04514	2.4
185.02499	3.6
187.00410	0.8
199.04004	2.5
203.03508	6.1
211.13379	2.2
215.03542	2.4
219.19556	0.6
227.03496	17.2
228.04066	1.0
229.01378	2.9
229.14465	0.9
243.02940	6.9
268.03696	1.1
269.08160	0.7
270.02551	0.7
271.02496	51.3
272.02798	3.7
285.04166	2.9
299.01990	100.0
300.02289	7.9
313.03632	4.8
314.04352	63.9
315.04666	5.3
329.06683	88.5
329.23239	5.2
330.07019	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0879
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.66878	0.5
54.99634	0.5
59.01373	1.3
59.03363	0.5
71.01380	1.0
72.77586	0.5
75.00890	0.7
78.93913	0.5
85.02937	0.6
98.21712	0.9
108.02182	57.5
109.02523	1.4
123.04535	24.2
124.04822	0.9
152.01167	42.4
153.01469	0.8
167.03506	100.0
168.03821	3.6
184.37340	0.7
222.70972	0.6
228.94489	0.6
329.08768	0.9
329.12378	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0881
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01885	1.9
59.01101	2.2
59.01384	38.6
67.01877	2.9
71.01382	24.0
79.02666	1.4
81.03456	2.0
83.01378	3.9
85.02958	9.1
87.00901	1.8
89.02455	17.8
93.03448	2.7
95.01392	4.6
101.02452	11.3
107.01379	1.6
108.02171	17.6
109.02953	5.1
111.00880	4.8
113.02471	9.8
119.03497	5.4
121.02944	2.9
123.00896	29.2
123.04545	17.3
125.02429	4.6
137.02464	10.0
138.03239	29.3
139.00348	3.4
139.03998	2.5
149.02425	2.7
151.00371	3.7
151.99983	2.8
152.01161	41.4
153.05605	29.4
163.00389	3.4
165.01994	4.2
166.02721	4.7
166.99812	7.0
167.03505	100.0
167.07195	3.4
168.03822	4.3
169.01411	1.7
175.03952	2.5
181.05055	4.4
182.00818	2.3
182.02243	25.5
197.04559	92.0
198.04965	4.1
209.04564	22.5
239.05632	2.6
269.06644	5.2
329.08847	46.8
330.09146	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
53.89805	0.7
56.25911	0.7
57.03425	0.7
59.01382	2.5
59.07484	0.8
61.03129	0.9
62.86540	0.7
67.01901	1.0
69.03457	0.9
69.53843	3.1
71.01386	1.3
71.09602	0.6
72.01691	0.8
81.03464	10.4
83.01409	6.9
85.02946	1.2
93.03441	1.8
95.01408	1.1
95.05029	16.3
97.02959	3.5
98.21810	0.7
99.04504	4.2
101.02456	1.4
107.05061	0.9
108.12749	0.8
109.02975	1.4
111.04575	0.9
113.02463	0.9
121.02966	1.6
122.03776	2.7
123.04539	20.8
123.05405	1.5
125.02454	18.1
135.04547	1.2
137.02495	3.7
137.06088	16.2
139.03993	2.7
141.05559	0.9
147.04483	1.0
149.02495	0.9
149.06143	1.3
151.03973	1.1
163.00449	1.2
165.01968	1.8
165.05614	5.1
166.02660	0.8
167.03511	47.9
167.07179	9.5
168.03870	2.1
177.01888	0.9
179.03477	9.3
181.05042	2.9
193.05112	3.0
197.04599	1.5
206.02071	1.4
209.04556	100.0
210.04872	5.3
221.04576	2.5
237.11842	0.9
239.05621	18.8
240.05994	1.1
251.05713	1.2
285.08029	0.9
329.08905	20.7
329.12485	3.0
330.08810	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
59.01394	1.8
61.26655	0.3
65.00316	0.6
69.50799	1.9
71.01377	1.2
78.58705	0.3
81.03461	5.2
83.01383	2.9
85.02946	0.5
90.15012	0.3
90.77090	0.3
95.01372	0.5
95.05033	0.9
97.02953	0.7
98.01594	0.3
98.22522	0.4
99.04476	0.4
107.01428	0.7
107.73676	0.4
108.02164	0.4
109.02978	0.5
116.54650	0.3
121.02998	0.6
123.04533	36.9
124.04842	1.2
125.02464	4.4
129.55060	0.4
135.00894	0.4
135.04582	0.7
135.16304	0.4
137.02412	1.0
139.04036	1.0
149.02448	1.3
151.00391	1.7
151.03972	1.2
163.04018	1.7
164.03494	1.6
166.02718	1.0
167.03506	100.0
168.03839	4.1
175.00388	1.2
179.03516	1.0
181.05078	3.1
191.03514	24.8
192.03862	0.8
209.04549	9.3
221.04546	2.7
269.06659	0.6
329.08609	3.4
329.12317	0.5
329.15887	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.2
59.01379	4.8
65.00313	0.5
69.61499	2.2
70.49268	0.3
71.01377	1.3
80.45709	0.4
81.03459	5.3
83.01388	3.0
89.02431	0.7
93.03489	0.4
95.05039	0.9
99.04511	0.5
101.02447	0.5
107.01387	0.5
109.14688	0.4
119.05027	0.6
120.99664	0.4
121.02989	0.6
123.04530	30.5
124.04861	1.1
125.02454	6.1
130.08722	0.5
147.04515	2.2
148.04778	0.5
149.02432	1.5
149.05098	0.9
151.00372	2.5
163.04018	0.8
167.03502	100.0
168.03809	3.5
168.09688	0.4
191.03445	1.0
195.06671	0.9
209.04652	0.9
255.88983	0.4
329.11472	2.2
329.15842	0.6
330.20514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1033
Annotation	Pterolinus F
Peak:m/z	Relative Intensity
96.96028	1.3
108.02186	2.0
109.02962	31.9
121.02965	10.7
133.02969	1.9
134.03760	19.7
135.04550	9.1
136.45973	1.0
137.02394	1.2
140.71654	1.0
145.02946	12.0
147.04501	2.7
149.06087	9.8
151.04025	1.6
153.01872	1.3
156.55060	1.0
165.01855	1.5
167.05197	1.0
171.10281	1.8
179.03506	2.5
181.06630	1.5
192.04289	1.2
195.04417	1.4
196.05365	1.2
199.07684	2.5
207.06508	1.7
209.06119	8.8
210.06714	1.2
211.03923	1.2
212.04839	2.6
213.05536	1.5
220.22380	1.1
225.05653	2.3
227.07162	3.9
237.05588	14.4
238.06358	6.8
239.07028	2.2
240.04301	6.4
251.07289	1.7
253.05043	3.6
253.08614	2.3
254.05843	12.9
255.06644	58.1
256.07059	2.6
269.08221	14.9
270.08975	32.5
271.09381	3.0
276.85837	1.2
282.05341	3.7
284.32553	1.3
285.07913	2.0
285.11334	10.0
286.08218	1.1
297.07660	6.1
298.04834	2.6
299.05627	12.4
299.09042	2.0
313.07211	2.4
314.04306	2.0
314.07953	21.5
315.08347	1.7
329.10318	100.0
329.23334	7.7
330.10632	8.0
337.82474	1.2
346.17438	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1396
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
50.45226	0.2
51.44672	0.2
51.59827	0.2
54.43914	0.2
59.01366	0.4
65.00333	0.3
70.52360	0.4
77.03976	1.4
78.25208	0.2
92.19200	0.2
93.03474	1.7
95.01385	1.5
95.05040	1.6
105.03510	0.4
121.02966	10.5
122.03628	0.2
123.04527	0.8
132.02165	1.3
147.04559	0.7
149.02452	100.0
150.02794	3.5
151.04066	0.2
153.05563	0.2
164.04805	15.1
165.05159	0.4
166.06334	0.9
167.07138	7.0
168.07477	0.4
175.40315	0.2
181.08725	0.3
244.93277	0.2
270.09045	0.6
271.09793	0.5
282.08923	0.4
283.09756	2.2
285.11432	1.1
286.11725	0.2
314.11624	26.2
315.11972	2.3
329.13953	34.7
330.10699	0.3
330.14349	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
65.00316	0.3
65.65167	0.2
69.13490	0.2
69.31162	0.2
70.53599	0.4
70.53935	0.2
71.01379	0.3
77.03965	1.2
90.27425	0.2
93.03467	2.3
95.01392	1.6
95.05030	1.9
100.21511	0.2
105.03445	0.5
109.02966	0.3
121.02962	10.6
122.03247	0.2
122.03757	0.2
123.04554	0.9
131.22600	0.2
132.02170	1.0
133.02905	0.2
147.04489	0.6
148.01628	0.3
149.02449	100.0
150.02769	3.4
163.04030	0.2
164.04802	15.2
165.05116	0.7
166.06375	0.9
167.07152	6.2
192.73874	0.2
203.17384	0.2
219.02966	0.2
254.35643	0.2
269.08044	0.2
270.09027	0.5
271.09695	0.5
283.09775	2.2
285.11313	1.2
286.11826	0.2
314.11618	27.1
315.11896	2.3
329.13943	34.5
330.14267	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.6
61.34815	0.6
63.90207	0.6
68.72736	0.7
69.27050	2.9
69.27469	2.8
77.76886	0.6
83.76740	0.7
91.05555	0.9
93.03497	1.3
96.96015	1.7
108.02202	0.8
115.05569	1.4
121.02965	14.6
122.03799	6.0
123.00882	2.5
123.04546	1.0
124.01661	2.3
130.04266	0.8
131.05028	2.1
134.03789	0.9
135.04527	0.9
136.05333	2.1
137.02429	2.9
137.06090	1.6
143.05049	2.5
145.02950	1.7
146.03729	1.2
147.04532	11.6
148.05043	0.8
149.02461	3.3
149.06075	0.9
150.03246	16.2
151.03976	0.9
153.05618	1.6
154.02791	1.0
158.03757	13.9
159.04527	46.3
160.05313	100.0
161.06099	39.5
162.03271	0.9
162.06458	2.4
163.04022	15.0
164.04805	16.3
168.04254	0.8
173.06096	11.3
174.06552	1.3
175.07651	67.6
176.04755	1.6
176.07936	4.2
177.05580	20.5
178.06355	16.5
179.06758	0.9
191.07198	0.7
192.07979	1.1
193.08685	7.3
269.08102	0.6
314.11713	2.0
329.13965	88.8
330.14374	8.1
331.02048	0.9
345.72293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.5
59.01368	1.4
60.59423	0.4
68.60805	0.4
72.49501	0.5
93.03472	1.7
96.96025	2.4
109.02953	1.6
121.02966	27.7
134.03691	0.6
135.04538	3.1
145.03008	0.8
147.04532	9.4
159.04515	3.4
161.93291	0.5
175.07672	0.5
177.05606	0.5
192.07965	1.4
195.08179	0.5
196.05310	1.3
197.06058	0.6
197.09731	0.6
199.03941	0.5
199.11407	0.5
209.06151	1.1
210.06851	0.8
211.03978	1.5
212.04784	6.1
213.09174	0.8
222.06821	1.0
223.07658	2.3
224.06941	1.4
225.05609	1.9
225.09233	0.9
226.06236	2.4
227.10829	1.4
229.08569	0.6
237.05592	1.3
239.03586	0.6
239.07188	0.7
240.04291	5.3
240.07896	0.7
241.04724	0.6
241.08609	2.9
243.10283	3.0
250.06409	0.8
250.76280	0.5
251.07091	3.2
252.07721	0.9
253.05145	1.5
253.08669	3.1
254.05861	7.9
254.08908	0.9
255.06459	1.4
255.10371	1.8
256.07413	0.6
257.08133	0.7
263.07083	1.0
265.08734	0.6
267.06564	1.1
268.07318	2.1
269.08200	75.0
270.08594	6.5
271.09744	9.9
272.10138	0.9
280.76987	0.4
281.08209	10.9
282.08664	1.9
283.09763	3.7
286.04880	2.5
297.07498	0.7
298.08466	1.7
299.09256	56.2
300.09634	4.5
313.10782	2.0
314.11609	78.0
315.11960	7.5
329.13950	100.0
329.22797	1.9
330.11069	0.4
330.14291	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1398
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
54.55423	1.0
59.01382	1.5
60.61009	1.1
64.11771	0.9
86.20586	1.2
95.01394	1.3
98.22598	2.4
99.08165	1.4
108.02168	4.5
109.02950	10.2
111.00871	3.2
123.00895	9.3
123.04507	2.6
124.01691	14.3
136.00613	2.1
136.01668	37.8
137.02463	26.2
139.11217	1.4
146.03738	2.0
147.04543	1.2
148.05321	1.4
149.06107	8.9
151.04024	35.4
152.01161	1.0
160.05331	2.3
161.06009	2.1
162.06818	2.5
163.03975	2.5
164.04771	4.7
165.05579	24.2
171.10255	3.0
175.07668	10.3
177.09227	18.5
180.57310	1.1
187.07735	1.2
189.05620	1.0
190.06453	1.5
191.07184	5.8
211.13428	4.6
229.14430	1.7
257.04602	2.4
281.08356	1.7
311.12943	1.4
314.11578	5.8
329.13962	100.0
329.23273	19.5
330.14233	9.6
330.23660	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1759
Annotation	Carnosol
Peak:m/z	Relative Intensity
69.08436	7.5
77.38756	0.8
80.38527	0.9
94.22443	0.9
95.05029	1.4
98.22588	1.8
99.80715	0.8
105.03471	6.2
108.82961	0.9
119.05025	3.4
132.02197	2.1
133.02966	60.7
134.03394	1.7
136.01660	3.6
137.02406	1.8
147.04506	4.3
149.02525	1.1
151.03954	1.0
153.05548	2.5
160.01692	7.9
175.03992	3.7
177.01927	15.8
192.04282	5.3
222.80298	0.8
314.09918	1.3
314.15262	66.4
315.15515	5.5
329.17596	100.0
330.17905	9.7
335.05399	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.176
Annotation	Carnosol
Peak:m/z	Relative Intensity
53.68085	1.1
57.09301	1.0
60.78839	0.9
68.46889	1.0
93.03465	7.1
96.59725	1.0
100.39203	1.1
108.02179	1.4
109.02963	25.6
119.59001	0.9
121.02969	87.3
122.03762	61.0
123.00878	2.7
123.04602	8.0
124.01664	8.8
135.04471	2.1
136.01642	2.1
136.05302	4.3
137.02455	12.4
148.05347	1.1
149.06094	14.2
154.02721	15.6
163.07640	2.6
168.04277	2.6
177.09218	3.7
189.09264	2.0
204.69208	1.1
228.88156	1.2
240.07848	1.8
285.14828	2.3
299.13062	1.4
314.15271	73.6
315.15427	5.5
329.17599	100.0
330.17914	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1762
Annotation	3,4,3',4'-Tetrahydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl
Peak:m/z	Relative Intensity
55.42827	0.4
59.01377	0.5
70.87271	0.8
91.70966	0.3
93.42990	0.3
122.21329	0.4
123.08161	1.2
137.02481	0.4
149.06062	0.4
202.49121	0.4
215.07079	0.7
215.16502	0.3
217.08638	0.9
218.05818	0.9
222.95384	0.4
229.08653	2.1
230.09503	3.1
243.10329	0.7
258.08929	0.6
258.12482	0.6
259.16913	0.8
271.10538	0.3
271.13370	2.7
285.15051	2.1
286.16028	0.5
301.18188	2.7
311.16446	0.4
313.14468	1.5
314.11530	0.4
314.15152	0.5
329.17596	100.0
330.14127	0.7
330.17935	9.8
346.14465	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1761
Annotation	Carnosol
Peak:m/z	Relative Intensity
50.06571	0.7
62.17348	0.9
77.03982	1.2
93.03466	1.5
95.01424	1.5
95.05020	2.9
98.21771	1.6
100.71466	0.8
105.03474	12.4
109.02960	1.2
119.05037	22.0
121.02975	3.7
123.00923	0.9
123.04545	1.1
132.02182	7.5
133.02972	92.7
134.03325	3.4
134.66190	0.8
135.67429	1.0
136.01671	23.0
137.02473	8.2
147.04536	24.8
151.04039	2.3
153.05598	18.1
154.05936	1.0
160.01675	1.7
163.04036	1.7
164.01193	1.4
164.04892	1.5
175.03975	1.2
177.01950	21.2
178.02457	1.0
192.02531	2.1
192.04292	34.9
193.04910	1.9
228.91403	0.9
314.15308	18.7
315.15549	1.9
329.17603	100.0
330.17908	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13314	0.7
57.03434	0.8
58.00604	1.3
59.01374	1.5
63.00635	0.6
63.14269	0.5
69.08731	4.5
69.63402	0.5
71.01384	0.7
73.02934	0.9
82.16174	0.5
88.54578	0.5
99.08112	0.9
121.10196	0.8
123.08095	0.6
124.02642	0.6
125.09721	3.5
127.11297	7.4
129.09180	0.6
131.43860	0.6
137.09743	1.1
139.10365	0.6
139.11327	6.4
143.10699	0.6
155.10828	2.8
157.12291	0.7
165.09265	1.7
171.10283	32.0
172.10638	1.0
181.12355	0.7
183.10222	0.5
185.11797	0.7
197.11922	0.7
199.09706	0.7
199.13448	1.0
201.11348	22.7
202.11780	1.3
211.13428	2.9
229.14403	0.7
275.20267	2.1
293.21304	3.5
311.22281	3.2
320.73358	0.6
329.23358	100.0
330.23727	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2336
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
58.00579	1.7
59.01370	1.5
60.72503	0.6
67.76546	0.5
74.03020	0.7
84.83326	0.6
121.10213	1.0
121.99220	0.6
124.87721	0.5
125.09713	3.7
127.11298	7.2
137.09683	1.7
139.11293	5.0
155.10762	4.4
157.12277	0.8
165.09192	2.1
171.10283	37.7
172.10612	1.6
183.10254	0.8
185.11816	1.5
187.12268	0.7
198.12279	0.7
199.09677	1.1
201.11337	23.8
202.11638	1.1
211.13489	0.7
213.11296	0.8
228.88840	0.6
275.20081	2.5
275.22717	0.7
293.21191	2.5
311.22104	2.0
329.23334	100.0
330.23657	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2336
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
57.03450	1.1
58.91526	1.0
60.86140	0.8
71.05022	1.0
71.09040	0.9
77.58910	0.8
83.05022	1.2
98.22177	5.5
99.08149	7.1
101.33804	0.9
125.09724	2.5
127.11301	3.6
139.11296	6.5
155.43814	1.0
167.14500	1.2
168.47906	0.9
171.10284	17.2
172.10606	0.8
183.13928	4.8
184.83896	0.8
193.12352	1.8
209.11836	0.9
211.13420	30.0
212.13840	2.0
229.14442	18.5
329.23349	100.0
330.23697	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2337
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
50.90664	0.5
51.06305	0.6
54.59290	0.5
58.00585	1.4
59.01381	2.7
61.35447	0.5
61.98824	0.5
74.67348	0.5
98.22644	1.1
99.08164	7.5
113.09740	0.6
115.07629	0.5
123.76506	0.5
127.07667	1.8
129.09233	7.7
130.60043	0.6
169.12387	3.8
171.10281	0.6
173.69048	0.6
176.77957	0.5
181.12372	4.1
183.13927	1.5
193.12375	1.4
197.01439	0.6
197.11807	2.6
199.13405	19.0
200.13837	1.1
211.13412	12.5
211.99884	0.6
212.13676	0.7
227.12804	0.8
228.58258	0.6
229.14490	1.7
257.61224	0.6
275.20135	0.8
293.21326	3.9
311.22174	2.7
329.23346	100.0
330.23685	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65385	3.8
59.01390	33.4
69.59853	21.0
71.01381	19.6
72.99332	5.2
75.00877	5.0
85.02951	9.7
89.02451	8.5
93.03447	5.3
94.64944	4.3
101.02454	9.9
101.40012	4.0
107.05035	12.3
108.02222	5.0
113.02505	5.3
119.03519	4.2
123.00883	16.8
123.04572	8.2
123.93521	3.8
124.01267	8.3
125.06079	20.5
128.03679	4.2
137.02440	8.2
138.03244	16.9
139.03598	14.0
140.57399	4.1
151.04024	100.0
152.01086	5.8
153.05577	13.4
154.05948	17.6
167.03525	17.3
168.03894	19.8
169.01393	4.8
173.06113	4.1
182.02206	12.1
183.02614	12.9
193.05055	31.4
197.04584	28.3
198.04897	58.6
210.04916	8.2
285.59128	4.2
330.09033	17.4
331.13657	6.5
346.15536	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1197
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
50.05293	0.5
51.21835	0.5
52.71490	0.5
59.01383	14.5
69.06039	2.1
69.06455	4.6
71.01380	9.0
71.21816	0.6
72.99321	1.4
73.02937	1.3
83.01378	1.1
85.02962	2.4
86.00132	3.3
87.00880	17.6
89.02456	3.9
93.03488	0.7
98.21938	2.2
98.22631	1.2
99.00895	1.0
101.02461	4.1
107.03761	1.5
108.04586	1.6
111.00900	1.5
113.02447	3.0
119.03508	1.2
120.04555	0.7
121.05337	2.4
121.17166	0.8
122.06131	40.7
123.04512	2.0
123.06454	1.0
124.04044	1.0
125.02438	4.5
129.01953	0.9
133.05077	6.4
134.06096	4.6
135.03285	1.4
136.04048	2.2
136.07692	17.4
137.02473	1.4
138.05652	1.3
141.23544	0.7
146.06139	1.2
148.07716	1.3
149.04820	2.3
150.05615	100.0
151.04015	4.8
151.05934	3.6
152.07179	6.8
158.06107	1.1
159.01501	4.2
160.01659	2.3
161.01199	1.2
161.04741	0.8
162.05650	3.8
164.07173	3.3
166.05087	0.9
168.00668	1.0
168.06650	1.2
168.31630	0.7
169.01428	5.2
169.05095	2.0
174.05646	2.6
175.06393	2.4
176.07184	8.7
186.00792	0.8
187.01004	5.6
188.00893	5.6
189.00737	1.6
192.06705	1.4
194.08215	4.6
201.02608	1.0
204.06615	2.8
222.07692	3.3
252.08763	2.8
271.01382	2.6
300.10999	1.2
312.10919	47.1
313.11246	3.1
330.11957	23.2
331.06332	3.1
331.12579	1.2
353.94257	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.1
59.01377	10.1
63.02413	9.2
65.00330	16.8
68.99814	1.9
71.01386	13.1
72.99303	2.8
73.02946	3.6
78.10841	1.2
78.25195	1.3
83.01402	15.1
85.02962	4.5
89.02446	3.5
91.01911	1.3
93.03451	1.5
95.01421	6.8
98.21813	3.3
99.00905	2.2
101.02460	10.0
107.01402	24.4
108.02190	31.5
109.02980	3.2
111.00884	3.5
113.02444	5.3
119.01390	1.6
123.00895	3.8
123.04531	15.8
124.01667	15.4
125.02486	10.8
135.00926	3.0
139.00392	2.2
143.03517	1.4
150.03188	2.8
151.00377	63.1
152.01166	49.3
152.02405	2.5
153.01871	5.3
161.02461	1.8
161.04555	6.8
163.00395	12.8
164.01143	2.3
165.05566	3.0
167.03459	2.8
169.01434	2.7
174.03185	3.2
175.03973	2.2
178.99878	32.4
187.04047	1.6
191.03500	1.6
198.03195	2.4
199.03886	3.1
202.02669	1.5
206.99350	30.3
207.08162	2.2
208.00151	28.6
209.00500	1.7
215.03435	2.4
216.04265	3.8
221.04581	2.5
225.09198	3.8
226.02661	1.8
227.03581	1.6
228.75745	1.3
242.02321	1.7
243.03027	6.4
244.03850	3.4
245.04465	6.1
255.03029	1.5
259.02484	29.8
259.06009	5.8
260.03265	16.2
271.02505	5.1
272.03186	7.7
275.02606	3.2
275.05624	61.7
276.05936	5.1
287.05627	12.1
287.09265	5.0
287.12656	2.1
298.00851	1.7
299.02100	2.6
300.02728	2.7
303.05130	100.0
304.05457	9.0
313.03598	3.2
331.04669	29.6
331.08273	3.2
331.11978	2.5
331.17624	3.1
332.04825	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0462
Annotation	Vaccaxanthone
Peak:m/z	Relative Intensity
51.42986	0.8
57.03442	1.3
59.01387	4.2
63.02403	11.6
65.00327	17.5
69.09855	5.2
69.10260	1.6
69.82122	0.9
71.01387	6.9
73.02949	2.2
75.13529	0.8
79.10410	0.7
83.01390	11.0
85.02943	2.5
89.02451	2.1
91.01923	1.1
92.66116	0.7
93.03450	1.1
94.29575	0.7
95.01402	1.9
96.96037	0.9
98.21761	1.1
99.00895	1.1
101.02471	4.1
107.01397	26.4
108.02220	1.0
109.02954	5.0
109.83504	0.8
110.32252	0.7
111.00899	1.4
113.02462	2.8
119.01391	3.6
121.02969	3.1
123.00902	2.0
123.04572	1.5
124.01637	3.7
125.02445	3.1
133.02966	4.2
136.01680	13.4
137.02478	1.1
139.03947	0.8
143.05042	2.3
145.03035	0.9
147.00883	8.6
148.01648	5.1
149.02432	1.0
150.20497	0.8
151.00375	80.3
151.03914	1.8
152.01050	4.3
155.05083	1.2
157.02931	1.0
159.04567	1.2
161.02446	2.2
161.04532	2.9
163.00356	2.5
164.01147	1.1
165.01933	1.2
167.03540	2.6
169.01495	4.4
169.02707	0.7
171.04459	4.6
173.02531	1.7
175.03996	2.9
178.99873	47.8
179.03374	3.7
180.00258	1.7
183.04504	3.3
185.02507	1.5
187.00406	2.1
187.04034	2.6
189.01935	1.9
189.99162	1.3
195.02951	1.9
198.03189	1.6
199.04019	13.8
201.01988	5.2
203.03513	2.1
207.03000	1.3
211.04054	2.6
212.04659	1.0
215.03503	2.1
219.02954	0.8
222.01653	1.6
226.02753	1.6
227.03522	10.3
228.03996	1.3
231.03021	2.2
239.03622	0.9
242.02153	1.3
243.03004	15.3
244.03328	1.7
255.02982	8.1
256.03793	4.6
271.02493	100.0
272.03094	16.8
272.10629	0.9
273.03906	1.2
287.05649	2.3
299.01978	56.0
300.02744	79.6
301.03436	19.4
303.05133	1.0
328.38962	0.8
331.04630	25.3
331.12228	2.2
331.17468	1.1
332.05127	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0673
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.62635	0.8
62.33602	0.7
69.03449	4.4
69.61627	4.1
76.49725	0.7
79.01904	1.7
81.03468	2.5
82.46023	0.9
83.01382	2.2
87.45498	0.8
93.03457	1.3
95.01399	1.2
97.02947	3.8
107.01400	2.3
108.58199	0.7
123.00894	5.9
124.01669	19.0
125.02454	89.2
126.02763	3.1
126.74751	0.8
136.49147	0.7
137.02460	1.6
149.99597	33.2
151.00311	2.9
167.03529	1.8
168.00652	73.1
168.73355	0.8
169.01439	46.8
170.01749	1.7
313.05713	8.2
331.06729	100.0
332.06985	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0673
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.85606	0.8
60.05741	0.9
69.03456	3.5
79.01902	2.1
81.03465	1.9
83.01386	1.4
93.03503	0.9
97.02959	2.9
98.21728	1.6
107.01402	2.4
108.02222	1.0
122.03745	1.1
123.00896	3.4
123.04555	1.1
124.01683	16.1
125.02460	81.5
126.02807	2.1
137.02429	1.4
139.04025	21.5
140.04298	0.9
149.99597	27.6
151.00336	2.7
153.01996	1.1
154.41052	0.9
167.03476	1.6
168.00658	62.9
169.01447	37.2
169.05083	29.9
170.05428	0.9
269.11749	1.0
271.01474	1.1
313.05756	6.7
331.06744	100.0
331.10190	5.9
332.07010	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66946	0.3
57.03451	1.0
59.01386	6.4
61.98831	0.9
65.00314	1.2
67.01891	0.5
69.03466	2.0
69.85793	0.3
70.86227	0.8
71.01389	2.0
72.65622	0.3
72.99334	0.5
73.02973	0.7
79.01897	0.6
81.03460	2.1
83.01397	3.6
85.02954	1.0
87.00893	2.6
87.64727	0.3
88.01214	0.4
89.02454	0.8
93.03470	0.7
94.03001	0.8
95.01374	0.7
96.04552	0.6
97.02972	1.7
99.00919	0.4
101.02443	0.7
102.98923	0.8
107.01412	3.2
108.02193	1.2
109.02960	0.7
110.02488	3.6
111.00875	0.8
111.47203	0.4
112.04049	1.0
113.02436	1.4
114.98887	0.8
117.00409	0.4
119.55150	0.3
122.02547	0.4
122.03751	1.0
122.06149	1.7
123.00906	1.6
123.06474	1.9
124.01675	7.3
124.04029	0.3
125.02458	84.6
126.02804	2.6
126.98964	0.3
131.02020	1.1
133.05087	4.6
136.07681	1.0
137.02457	1.1
137.08063	0.6
139.00380	1.3
139.04016	3.5
140.01161	0.5
145.31660	0.3
149.99631	1.8
150.05615	4.0
151.00383	12.4
151.03961	0.9
151.05963	4.4
152.03571	2.1
153.00769	0.5
153.01955	2.8
153.07472	0.5
155.03423	0.4
156.99924	2.0
159.01505	2.4
160.01662	0.5
161.01210	2.6
161.04520	0.5
167.03497	1.0
167.99214	0.8
168.00652	15.4
168.04247	1.4
169.01437	100.0
169.05020	5.1
170.01768	3.7
175.00372	1.4
176.07169	0.4
177.07472	0.5
187.00999	4.1
187.04637	0.8
188.01129	0.9
189.00716	3.8
193.01407	1.4
198.04143	0.4
201.02571	0.7
203.02232	0.4
209.68889	0.3
211.02521	0.5
223.08054	0.4
227.00534	0.4
231.03514	0.5
271.01340	0.9
313.04202	0.7
313.11230	4.5
314.11407	0.3
331.06702	75.9
332.06903	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1038
Annotation	Koaburaside
Peak:m/z	Relative Intensity
59.01378	1.2
63.65912	0.4
69.03460	1.1
69.75336	0.4
70.59768	1.0
70.60139	0.9
79.01905	0.6
81.03479	0.7
83.68256	0.4
93.03475	1.4
97.02961	1.5
107.01417	1.0
109.02966	1.6
111.04546	0.7
121.03001	0.8
123.00922	2.0
124.01674	7.8
125.02460	26.1
126.02816	1.2
137.02428	1.2
138.03200	2.4
139.04022	67.1
140.04346	2.0
149.99597	11.8
150.05568	0.7
151.00417	1.3
153.01932	0.7
167.03476	0.7
168.00648	25.3
168.04286	1.9
169.01466	5.1
169.05070	100.0
170.05402	3.8
271.01331	0.9
297.78137	0.5
312.00204	0.5
313.05585	2.4
313.11343	0.6
331.06711	35.9
331.10425	17.9
332.07089	2.6
332.10690	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1036
Annotation	Unedoside
Peak:m/z	Relative Intensity
59.01368	7.4
59.92756	3.4
66.18694	3.9
71.01382	17.6
71.29027	3.4
73.02956	6.9
81.47242	3.8
81.95787	3.3
83.01351	4.1
83.76518	4.2
85.02953	6.2
89.02431	3.8
93.03445	4.6
97.17529	3.7
101.02458	8.4
109.02952	7.0
111.00908	11.8
113.02434	7.8
118.34981	3.5
123.04561	5.5
125.02469	6.5
130.84105	4.0
137.02489	5.4
139.00394	100.0
149.02432	3.9
151.04070	5.3
153.02010	8.3
154.02736	98.1
161.04573	6.3
167.03438	5.0
168.04268	3.7
169.05072	90.8
271.01291	6.3
331.08099	14.8
347.98849	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1037
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
59.01362	0.7
59.81404	0.4
69.70267	0.5
70.32590	1.1
71.01372	1.9
73.02968	0.4
82.00610	0.8
85.02945	1.7
86.69513	0.5
98.21974	0.6
101.02494	1.0
110.00108	7.3
113.02457	2.5
121.97111	0.5
123.00917	0.6
124.01694	1.0
125.02448	8.4
126.86568	0.6
137.02448	0.8
137.99593	8.7
139.00435	2.4
140.01181	0.8
148.01741	0.4
151.00372	0.6
152.01152	3.0
153.01947	100.0
154.02597	4.6
155.03517	1.9
161.04552	0.7
164.01202	0.5
166.02748	0.7
167.03514	10.9
168.04288	49.1
169.01459	1.7
169.05051	8.2
176.01167	0.5
181.01418	0.6
191.03468	1.0
200.07719	0.5
209.04643	0.6
211.06090	0.5
246.30409	0.5
299.07681	0.6
331.10275	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1189
Annotation	Catechin 5,7,3'-trimethyl ether
Peak:m/z	Relative Intensity
55.01878	2.3
57.03447	2.2
59.01091	1.5
59.01380	25.3
59.75940	0.8
69.11232	5.7
71.01383	27.9
72.99320	1.4
73.02949	7.7
75.00857	0.8
83.01390	4.3
85.02956	12.3
87.00889	1.0
88.18661	0.7
89.02452	10.9
89.33976	0.8
95.01405	2.0
98.21777	1.6
98.95620	1.2
99.00877	3.5
101.02446	22.1
113.02446	11.2
119.03507	4.3
129.01955	0.8
155.05035	2.1
159.03017	2.3
161.04552	11.5
164.01120	1.0
165.01932	3.4
169.12337	1.7
171.04553	1.7
172.05284	1.0
179.03537	4.0
180.04276	2.7
183.04558	2.1
195.04962	1.1
195.06586	4.2
198.03098	0.8
199.04012	38.0
200.04480	4.0
210.03288	2.0
211.04010	4.7
212.04765	2.3
213.05597	6.0
214.06325	1.2
217.05084	1.0
223.04094	1.2
225.05560	2.0
227.03490	29.7
227.06924	1.3
228.04262	4.8
233.91188	0.9
239.03508	2.5
240.04306	9.3
241.05078	5.6
242.05789	6.3
243.06607	2.6
253.05032	1.2
255.03026	16.8
255.06625	10.1
256.03711	3.7
256.07297	1.4
257.08228	3.0
267.03030	1.0
268.03726	5.3
269.04413	2.1
270.05362	39.5
270.08917	9.1
271.06113	19.6
271.09537	2.7
272.06580	1.7
282.05408	1.1
283.06107	9.7
285.07690	100.0
286.04895	3.7
286.08301	14.2
297.07510	1.5
298.08481	6.7
300.10046	85.2
301.07178	5.6
301.10715	19.6
313.10818	3.3
316.09491	9.0
317.09882	0.9
331.11890	18.6
331.17670	18.3
332.12247	1.7
332.17862	1.4
354.15619	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74366	0.7
57.01740	0.7
57.03444	1.8
59.01381	5.8
69.12584	7.2
71.01389	5.1
73.02963	1.7
79.95747	39.7
80.96516	2.1
83.01355	0.9
85.02958	1.5
87.04509	8.2
89.02474	2.8
91.66787	0.7
96.96006	7.1
98.95621	2.9
101.02452	2.7
101.06081	1.0
113.02462	1.8
135.08180	14.0
135.09123	1.4
147.08162	1.9
161.04625	1.1
163.11311	5.4
191.10771	1.7
205.12447	1.5
227.42433	0.7
229.05060	5.4
233.15503	3.3
235.13490	4.7
244.07179	0.8
249.15021	2.5
251.16548	41.3
252.16862	3.5
282.87094	0.7
283.35324	0.8
283.38519	0.9
287.20532	0.8
300.24762	0.9
331.12256	100.0
331.25058	4.9
332.12555	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11715	0.5
51.89911	0.6
56.75372	0.5
57.03439	0.8
58.59132	0.5
59.01384	0.6
64.52787	0.5
69.16873	1.0
69.17271	4.0
69.74158	0.5
71.01404	0.7
79.95744	23.5
80.96542	1.1
87.04530	4.9
89.64091	0.5
94.78659	0.6
96.96021	31.3
98.22578	1.1
98.95637	0.9
108.49321	0.5
109.02998	0.5
114.24424	0.5
116.05022	0.6
120.95928	0.5
125.02456	1.3
134.94383	0.5
135.08182	7.9
147.08195	1.4
156.81625	0.5
163.11279	3.8
191.10835	0.8
205.12440	0.6
233.15536	2.7
235.13405	4.0
239.85925	0.5
249.14986	1.7
251.16544	24.3
252.16895	1.9
258.08502	0.6
271.08780	0.6
287.13425	1.8
313.11261	1.7
331.12241	100.0
332.12610	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1555
Annotation	Chrysotobibenzyl
Peak:m/z	Relative Intensity
59.01388	1.2
61.98820	1.3
69.01134	10.1
109.02959	43.2
121.02997	1.6
122.03764	12.3
123.04537	8.7
124.01664	2.6
135.04544	1.0
137.02460	22.8
138.03249	32.1
140.01186	1.9
149.06093	8.5
151.04041	6.2
153.01892	1.3
154.02754	3.1
165.05571	21.3
170.02238	9.6
175.07568	1.0
177.09189	2.7
181.61259	0.9
189.09242	3.7
193.08728	2.0
249.14999	6.3
299.12817	1.8
315.12543	1.0
316.13171	21.5
317.13486	1.0
331.15530	100.0
332.15851	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47826	0.3
55.01882	8.5
57.03177	0.6
57.03453	6.8
58.00597	2.4
59.01382	51.1
68.99817	0.8
69.03469	1.4
70.53757	0.3
71.01386	100.0
71.09225	0.8
72.01720	1.2
72.99323	2.9
73.02951	32.0
75.00879	1.9
81.03481	0.6
83.01392	15.2
84.02187	1.1
85.02956	46.8
86.00087	0.7
86.03300	1.2
87.00893	3.3
89.02451	15.3
92.77570	0.4
95.01396	7.6
97.02957	2.0
99.00889	14.0
101.02451	73.6
102.02784	1.1
103.04043	0.5
111.00861	0.9
113.02459	44.1
114.02812	0.9
119.03514	3.9
122.53544	0.4
125.02468	2.3
125.03222	0.4
129.01935	1.8
131.03487	0.4
143.03499	4.2
144.42445	0.3
159.03004	10.0
161.04565	52.6
162.04904	1.0
169.12364	0.9
174.25298	0.4
179.05617	0.6
205.03511	1.1
230.56172	0.4
282.88211	0.4
331.17612	22.5
332.17889	2.2
345.25241	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1764
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
51.98350	0.4
52.40335	0.4
55.01880	8.8
57.03450	6.6
58.00603	2.0
59.01385	43.4
60.82656	0.3
61.99107	0.3
68.99831	0.5
69.03465	1.1
71.01388	100.0
72.01714	1.0
72.99323	3.8
73.02954	33.8
73.42932	0.3
74.03276	0.7
75.00871	2.0
82.02991	0.6
83.01393	15.4
84.02164	0.6
85.02959	47.9
86.00117	0.8
86.03266	0.8
87.00880	4.0
87.24538	0.4
89.01896	0.6
89.02451	11.7
95.01394	7.5
97.02962	2.9
98.22556	0.7
99.00890	15.7
101.02452	73.7
102.02813	1.3
111.00890	0.9
113.02460	42.7
114.02779	1.1
115.04030	0.6
119.03491	2.6
125.02438	2.8
129.01949	1.7
131.03496	0.5
135.37122	0.3
143.03519	4.1
151.07639	0.6
155.10768	0.4
159.03011	12.0
160.03328	0.4
161.04568	63.1
162.04895	1.8
167.64912	0.4
178.65952	0.4
182.22801	0.4
205.03546	1.2
264.51819	0.4
287.10461	1.5
327.16992	0.4
331.17642	27.6
332.17960	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	7.8
57.03450	5.2
58.00602	3.3
59.01386	77.2
60.01728	0.9
65.96088	0.6
66.86863	0.7
71.01391	100.0
71.30579	1.0
72.01739	1.5
72.99313	4.0
73.02956	27.5
75.00893	1.5
79.95776	1.6
80.96536	1.1
83.01393	12.6
85.02961	39.9
86.03324	1.1
87.00894	4.6
89.02456	42.3
95.01407	5.7
96.96039	1.4
97.02975	1.3
99.00896	10.9
101.02454	73.1
102.02810	1.7
102.48765	0.6
104.67313	0.8
113.02467	39.7
114.02820	1.2
118.88017	0.6
118.88914	0.7
119.03514	15.6
122.06145	1.9
122.20931	0.6
125.02470	1.3
129.01979	1.7
131.03571	1.8
132.33885	0.7
143.03526	5.4
143.40573	0.6
159.03015	7.4
161.04584	37.9
169.12428	1.0
172.83237	0.8
179.05606	3.3
205.03638	0.9
279.83615	0.6
285.07544	0.6
300.10034	0.9
331.09079	4.1
331.12985	2.2
331.17599	15.9
332.18091	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76722	1.0
55.01882	6.3
57.03452	5.7
58.00600	2.5
58.39386	1.1
59.01382	88.3
59.96732	1.1
60.01701	1.0
69.44115	6.8
71.01388	100.0
71.05016	2.6
72.01727	1.7
72.99303	3.2
73.02956	22.2
75.00870	1.6
79.95747	6.3
83.01411	9.9
85.02955	35.9
86.03293	1.0
87.00880	5.4
89.02451	43.5
95.01391	6.8
96.96023	8.6
97.02951	1.8
98.21806	2.2
99.00883	9.1
101.02448	69.3
101.06107	1.2
102.02785	1.2
113.02462	38.4
116.16566	0.9
119.03498	16.2
125.02481	3.0
135.08195	1.2
140.40375	1.1
143.03482	2.3
149.04552	1.3
159.03050	6.3
161.04572	23.4
179.05638	1.5
179.26445	1.1
185.81696	1.4
251.16537	6.9
301.09991	1.4
331.12128	21.3
331.17670	4.8
332.12683	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76722	1.0
55.01882	6.3
57.03452	5.7
58.00600	2.5
58.39386	1.1
59.01382	88.3
59.96732	1.1
60.01701	1.0
69.44115	6.8
71.01388	100.0
71.05016	2.6
72.01727	1.7
72.99303	3.2
73.02956	22.2
75.00870	1.6
79.95747	6.3
83.01411	9.9
85.02955	35.9
86.03293	1.0
87.00880	5.4
89.02451	43.5
95.01391	6.8
96.96023	8.6
97.02951	1.8
98.21806	2.2
99.00883	9.1
101.02448	69.3
101.06107	1.2
102.02785	1.2
113.02462	38.4
116.16566	0.9
119.03498	16.2
125.02481	3.0
135.08195	1.2
140.40375	1.1
143.03482	2.3
149.04552	1.3
159.03050	6.3
161.04572	23.4
179.05638	1.5
179.26445	1.1
185.81696	1.4
251.16537	6.9
301.09991	1.4
331.12128	21.3
331.17670	4.8
332.12683	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50039	0.7
55.01872	3.5
57.03448	3.7
58.00599	4.3
59.01385	100.0
71.01388	78.8
71.31618	0.9
72.99317	6.0
73.02952	9.8
75.00876	1.4
81.03468	1.8
82.02981	0.8
83.01405	5.0
85.02962	20.7
85.91806	0.8
86.03281	0.8
87.00877	2.9
89.02454	74.4
95.01395	4.9
96.96021	6.8
97.02941	1.0
98.95599	0.8
99.00887	4.9
101.02451	46.2
102.02794	1.2
113.02464	27.5
119.03513	24.1
125.02493	1.5
130.53737	0.8
131.03510	2.6
143.03526	3.2
149.04588	1.9
159.03046	0.8
161.04565	7.8
165.62781	0.7
167.03508	1.8
169.12428	0.8
179.05615	2.6
209.04558	1.6
218.20514	0.7
272.03320	2.7
281.00916	0.8
331.17752	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05490	0.6
55.01875	3.5
57.03453	2.7
58.00596	5.7
59.01382	100.0
60.01723	1.3
65.55392	0.5
69.03478	0.7
71.01385	80.6
71.30032	1.4
72.01743	0.8
72.99303	6.0
73.02954	7.1
73.84486	0.6
83.01387	5.5
85.02958	20.5
86.03294	0.6
87.00876	4.1
89.02451	77.5
90.02790	1.2
95.01398	6.1
96.96049	0.8
97.03006	1.1
99.00904	3.3
101.02451	44.4
102.02805	1.1
105.69963	0.6
109.02998	0.7
113.02464	27.6
119.03513	27.6
120.03922	0.9
121.51437	0.6
125.02459	1.0
131.03552	1.9
134.03592	0.6
136.01642	0.7
143.03546	2.5
144.68797	0.6
149.04604	2.0
151.43446	0.6
159.03058	1.7
161.04572	7.1
167.21156	0.6
169.12416	0.7
177.05653	1.1
179.05658	1.0
179.42816	0.7
191.45363	0.7
199.03975	0.7
201.09779	0.7
211.84679	0.8
234.81778	0.6
283.09677	1.0
316.02347	0.7
331.04861	1.7
331.12286	1.8
331.17831	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1917
Annotation	3,10-Dihydroxy-5,11-dielementhadiene-4,9-dione
Peak:m/z	Relative Intensity
51.60017	1.4
52.24120	1.4
59.86900	1.3
64.38140	1.3
65.88836	1.4
72.13844	1.4
77.96040	1.3
79.98167	1.4
95.05018	3.3
99.49129	1.5
105.03464	17.8
132.02219	1.9
133.02971	100.0
134.03377	2.0
137.02484	2.1
148.05368	2.7
160.01700	1.6
161.06227	2.0
171.54463	1.4
175.03993	1.9
177.01938	18.1
178.02652	3.5
194.34596	1.7
299.20126	3.0
316.16791	81.5
317.17188	6.9
331.19180	95.0
332.19586	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1916
Annotation	3,10-Dihydroxy-5,11-dielementhadiene-4,9-dione
Peak:m/z	Relative Intensity
51.75229	0.5
53.88939	0.7
58.08387	0.6
69.09898	7.2
74.94571	0.6
78.50822	0.7
82.11048	0.8
89.71788	0.6
90.85377	0.6
98.22541	1.3
107.62815	0.6
109.23756	0.7
124.36584	0.7
144.29094	0.7
176.84364	0.8
270.16312	6.9
271.16641	1.7
283.13522	1.5
285.18683	3.9
287.20169	2.2
298.15762	37.9
299.16034	3.8
313.18225	4.2
314.18521	0.7
331.19156	100.0
332.19476	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1914
Annotation	11,12,14-Trihydroxyabieta-8,11,13-trien-7-one
Peak:m/z	Relative Intensity
57.97538	1.7
65.26187	1.6
71.31746	4.0
77.74532	1.6
87.21222	1.5
91.96078	1.5
137.02446	2.7
154.45937	1.6
163.07623	1.7
167.07089	1.9
179.07166	3.9
191.14404	2.3
207.06581	2.1
221.57478	1.9
273.11398	3.2
287.20184	2.9
288.13708	2.8
303.19733	8.3
330.12900	1.7
331.19165	100.0
332.19583	8.4
354.04703	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1917
Annotation	PGB3
Peak:m/z	Relative Intensity
65.84470	0.3
67.05529	0.5
67.93204	0.3
69.09048	2.4
83.05029	1.5
88.75457	0.3
89.33265	0.3
95.01438	0.3
98.22569	0.4
107.05034	0.3
109.02998	0.4
119.08678	0.8
135.08159	1.1
136.01651	0.5
137.02473	3.2
137.06119	0.4
151.04031	0.6
151.07590	0.4
152.04803	2.7
163.07626	1.1
165.01898	0.3
165.05568	0.8
167.07082	1.1
179.07185	2.5
191.14445	1.8
203.14400	1.2
205.16013	0.4
207.06708	1.9
208.07384	0.8
219.13925	0.6
229.12398	0.4
245.11896	0.7
247.13361	1.4
259.09781	1.0
259.20642	1.1
260.81659	0.3
269.19144	0.7
271.16968	0.5
273.11334	2.3
285.18839	0.4
287.16589	0.8
287.20099	1.3
288.13687	1.4
288.20493	0.5
302.18869	0.5
303.16245	0.3
303.19684	6.6
304.19958	0.9
313.18185	1.1
315.16013	0.4
331.19174	100.0
332.19504	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1918
Annotation	Eriocasin B
Peak:m/z	Relative Intensity
67.01904	5.9
69.11492	7.3
83.05057	5.5
107.74682	0.8
111.93586	0.9
115.69944	0.9
127.98585	0.8
136.01649	2.7
137.06108	0.9
164.04793	3.9
179.07141	20.5
191.14423	6.8
207.06679	2.2
245.11372	0.9
259.20538	0.9
260.13477	1.0
275.20169	13.3
276.20667	1.5
285.18683	1.3
286.02252	0.9
287.20059	0.9
303.19675	100.0
304.20065	9.8
313.18375	1.2
331.19162	57.3
332.19559	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2284
Annotation	Tessmannic acid methyl ester
Peak:m/z	Relative Intensity
58.02221	1.2
61.98820	1.8
69.08022	5.0
69.08449	5.2
73.21612	1.1
83.90790	1.1
85.39247	1.1
168.04292	1.2
177.33606	1.2
283.17014	1.5
284.17667	2.9
299.20172	100.0
300.20526	14.9
331.18973	2.5
331.22659	18.4
332.23279	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2644
Annotation	cis-4,10,13,16-Docosatetraenoic Acid
Peak:m/z	Relative Intensity
54.05104	0.6
55.01885	5.4
68.99778	5.3
95.05023	2.4
98.81418	0.7
136.05287	2.9
149.06078	2.2
191.10785	0.7
240.06433	0.7
275.23868	1.9
331.26431	100.0
332.26794	10.6
354.09421	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10050	0.3
62.96396	0.5
69.97578	1.0
69.97984	0.6
78.95908	100.0
80.45077	0.2
86.02680	0.2
91.32787	0.3
96.96063	1.9
96.96966	17.5
118.01227	0.2
150.12622	0.3
150.98003	1.4
152.99594	69.4
153.99921	1.1
169.79182	0.2
171.00645	7.7
223.00133	1.1
241.01199	32.6
242.01546	0.8
249.47127	0.3
259.02261	2.1
333.05923	76.2
334.06320	3.8
346.87143	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29139	0.4
51.89764	0.4
54.11477	0.4
65.03983	0.5
65.49206	0.4
67.01887	0.7
68.99833	0.4
69.03452	0.8
69.07499	2.2
69.07913	0.9
69.09283	0.4
70.32038	0.4
77.03976	2.5
79.45718	0.4
80.78434	0.3
83.01401	2.7
84.22435	0.4
93.03470	3.7
95.01398	1.6
96.95979	0.5
97.02953	11.8
97.54579	0.4
101.02457	0.6
109.02959	2.4
121.02963	10.9
122.03294	0.4
123.00917	0.8
137.02454	40.4
138.02806	1.1
163.00374	0.9
165.01936	100.0
166.02255	3.9
197.04556	34.7
198.04875	1.0
209.00917	1.1
223.02406	0.6
224.85396	0.4
257.04422	0.6
301.03513	5.0
310.46164	0.4
333.06149	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42227	0.9
55.01874	2.2
59.01377	5.5
68.08971	0.9
69.01768	4.2
69.02192	3.2
71.01390	6.5
71.05024	11.4
73.02953	1.9
77.03967	1.6
78.83348	0.8
83.01379	2.8
85.02975	2.2
89.02441	2.9
91.01916	2.6
93.03501	1.5
95.01375	1.0
95.05029	17.9
96.96003	6.8
97.02955	34.3
98.03260	0.9
101.02441	4.5
108.02194	4.3
113.02452	2.3
115.04016	2.5
119.03474	1.0
121.02960	4.7
123.04546	9.5
137.02466	14.2
139.04021	87.7
140.04340	3.4
141.05997	1.0
152.01199	2.7
153.30704	0.9
161.04662	2.0
165.01945	52.6
166.02238	1.7
167.03506	17.0
173.23409	1.0
183.02997	100.0
184.03342	4.3
185.45325	1.0
238.84111	0.9
289.07245	2.9
312.67300	0.9
333.06430	1.7
333.10202	5.3
333.13605	1.7
333.19635	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67492	3.5
59.01368	6.6
62.70626	3.5
71.01370	5.5
71.29263	5.8
72.49242	4.0
78.95911	100.0
78.96354	7.5
81.03386	3.8
89.02432	5.7
96.96975	19.8
120.06015	4.0
152.99597	91.7
155.86615	3.6
158.45157	3.4
164.89088	4.0
171.00726	8.6
225.88443	3.4
233.18774	3.5
241.01266	27.4
247.54561	3.9
297.11887	20.1
330.56064	4.4
333.05951	90.0
333.09662	24.6
334.06259	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	49.9
69.76158	36.6
69.76549	46.9
71.01392	45.0
89.02451	33.4
112.04087	32.0
119.03580	21.5
126.18832	19.2
153.52530	21.4
195.20528	18.9
223.90439	19.8
235.35339	18.0
273.08203	23.9
297.12079	98.4
333.09979	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79629	0.5
53.44021	0.5
63.29380	0.5
69.18419	4.3
78.03484	1.6
92.05087	3.0
94.02963	0.6
94.06621	4.1
96.96021	0.8
103.04260	0.8
104.05073	3.4
105.03442	2.8
105.72572	0.5
106.06638	15.2
107.03782	1.2
107.06957	0.9
108.04571	1.3
120.03796	0.7
120.04570	6.6
121.05322	2.3
122.02473	0.7
122.06133	16.6
123.03260	2.8
124.07676	1.0
131.03745	1.6
132.04570	9.1
138.05621	26.7
139.05959	0.9
148.04063	0.7
150.05643	3.5
174.12880	1.0
184.11371	0.9
189.07945	1.2
200.05890	0.6
203.09511	0.8
215.11935	2.1
217.07417	1.6
219.92035	0.6
226.07401	0.6
228.09026	0.6
231.09026	1.2
231.11336	0.8
241.09819	3.5
243.11343	2.0
259.10861	1.5
271.10889	1.5
289.11954	100.0
290.12299	7.7
333.10864	6.7
335.57236	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62161	1.5
56.23390	1.9
57.03447	3.0
58.00588	4.3
59.01384	100.0
71.01387	76.9
71.29577	3.3
72.99316	8.3
73.02937	8.6
78.95902	2.3
83.01406	3.3
85.02956	16.8
87.00880	6.8
89.02455	70.3
95.01380	6.1
97.06588	3.4
98.92242	1.7
99.00841	1.9
101.02450	42.4
107.05073	2.2
109.06583	5.1
113.02466	26.8
119.03509	33.2
125.06089	2.7
127.07685	8.7
131.03462	2.9
135.04509	9.5
137.06081	6.8
143.03496	2.2
152.56978	1.9
152.99599	2.3
153.05583	32.3
161.04538	5.2
171.06621	7.0
177.85107	2.0
179.05661	3.5
238.28821	1.7
303.17606	2.3
333.06128	2.3
333.11899	16.3
351.14175	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37301	1.7
54.10302	1.6
58.00583	4.1
59.01384	100.0
60.01701	1.7
60.26432	1.7
60.63189	1.6
61.98817	5.9
69.51838	6.1
69.52267	5.3
71.01390	65.8
72.99312	5.0
73.02958	2.4
74.99376	2.6
78.95916	14.8
83.01389	4.9
85.01447	3.0
85.02963	11.3
87.00895	3.0
89.02454	46.9
93.03466	4.1
95.01417	4.1
96.96989	3.3
101.00967	7.7
101.02450	30.3
102.98891	3.1
109.06612	13.0
111.00862	2.5
111.04513	2.1
113.00974	6.2
113.02483	19.4
117.00476	11.5
119.03522	27.0
124.17365	2.0
125.00916	2.9
126.98933	2.0
129.04094	6.8
137.02478	1.8
139.04021	3.5
140.04318	3.0
141.00439	9.1
146.60701	1.9
152.99472	10.0
153.05586	6.7
155.02013	5.7
157.03578	2.9
159.04672	2.4
161.04591	5.0
167.02083	2.3
169.05081	4.6
171.05290	5.1
171.06755	2.5
173.04573	2.4
175.94704	1.7
179.05609	3.3
183.01445	9.4
189.00639	2.9
190.97966	1.9
193.08641	1.8
196.59134	1.7
201.02557	5.3
201.05652	2.5
217.05254	4.9
241.01279	6.3
243.03639	9.3
273.04752	10.2
273.08319	52.8
274.08511	4.8
279.92511	1.7
295.58176	1.9
298.69513	1.7
332.96814	2.5
333.06113	9.0
333.11627	64.9
334.11685	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49625	1.2
61.18150	1.2
61.98851	1.4
63.43678	1.2
66.79215	1.1
71.30960	1.5
79.95751	1.6
93.62644	1.2
94.81365	1.1
96.67664	1.2
96.96024	22.1
102.92229	1.4
111.59972	1.2
185.44231	1.6
253.18112	75.7
254.18462	3.6
261.18750	2.0
281.31268	1.6
320.57138	1.9
333.13788	100.0
334.14166	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.9
58.94937	0.9
59.01385	48.9
60.20298	0.9
60.22558	1.0
71.01368	3.0
71.31776	1.3
71.32185	1.3
74.83569	0.9
77.02544	1.0
85.02962	1.3
89.02451	1.5
91.04047	1.5
96.96023	1.5
101.02452	1.7
111.01020	1.0
111.08156	1.4
111.93443	0.9
113.02449	1.7
120.83853	0.9
125.02457	1.6
137.09729	11.2
153.09268	1.5
155.10794	100.0
156.11159	5.3
171.10272	31.5
172.10600	1.2
181.08676	3.2
188.75815	1.1
199.09802	19.3
217.10815	38.2
218.11148	1.7
273.13474	21.2
291.14523	86.7
292.14902	4.8
312.76285	0.9
333.09872	1.3
333.15591	29.3
334.15958	2.0
340.50546	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2073
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
50.10624	1.9
50.42747	1.7
69.40733	9.7
95.18673	1.6
97.41146	1.8
109.02946	4.1
123.00871	1.8
125.02409	3.3
137.02467	5.5
138.03233	8.0
142.02696	2.9
166.02757	2.4
179.03540	11.2
193.05069	5.0
298.49835	2.1
305.21323	6.3
333.20718	100.0
333.24216	7.1
334.20969	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62288	22.5
59.01375	32.8
69.51742	55.7
69.52145	100.0
74.33854	23.0
103.49287	22.2
124.15483	24.1
129.09230	45.8
153.61386	22.9
204.33467	22.2
268.92096	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09509	0.7
55.01879	1.6
59.01379	2.8
69.03473	0.9
69.76117	2.8
71.01381	3.9
71.05023	9.3
85.02923	2.1
89.02460	1.5
93.03466	1.1
95.05034	18.4
97.02957	28.3
98.03271	1.1
99.00772	0.9
101.02467	1.9
102.96329	0.9
107.73143	0.8
113.02502	2.1
115.04029	3.3
120.99662	1.2
121.02934	0.9
125.02468	7.1
129.93678	0.8
135.04535	1.9
137.02431	1.2
138.02005	3.2
139.04022	66.1
140.04311	2.1
140.91205	1.0
141.20099	0.8
161.04654	1.4
165.01964	2.9
169.01430	13.0
173.48245	0.8
179.03531	2.0
183.02998	100.0
184.03275	4.6
335.17096	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36615	1.3
57.03472	1.5
58.00583	3.6
59.01383	95.5
60.01709	1.6
63.77164	1.2
71.01388	53.0
71.28465	2.4
72.99306	4.3
73.02970	2.1
83.01369	3.3
85.02962	9.9
85.32951	1.4
87.00858	2.3
89.02453	55.2
93.03465	52.9
95.01386	4.4
101.02452	35.1
111.08169	2.4
113.02454	18.0
116.93035	1.2
119.03505	28.2
125.02434	3.3
129.82639	1.3
131.03503	2.1
137.02457	100.0
138.02769	2.4
139.04007	1.6
140.60085	1.3
143.03471	2.5
149.04541	1.6
155.03528	2.2
155.07146	7.8
161.04564	2.9
171.90887	1.6
171.92937	1.5
173.08266	3.9
177.01860	1.4
179.05573	3.1
183.02992	2.4
192.95868	1.6
202.50830	1.4
211.07640	1.4
266.32019	1.6
335.13483	98.9
336.13803	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0774
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
51.60544	0.7
53.03395	0.7
57.03440	0.9
58.04886	0.8
59.01385	11.6
63.02397	0.8
65.22299	0.6
70.54425	1.0
70.54752	1.3
71.01392	6.5
81.03453	1.1
83.01385	4.4
85.02983	1.7
87.00888	2.0
89.02455	6.1
95.05043	4.1
97.02939	1.7
101.02451	3.5
105.03458	1.2
109.02966	2.9
111.00905	0.9
113.02469	2.4
115.03997	3.4
119.03512	1.3
119.05032	3.5
121.02945	0.9
122.03722	2.1
123.04536	8.7
124.01662	1.0
125.02455	0.9
127.11304	0.8
129.03513	1.0
133.02963	1.1
134.03723	0.7
135.04565	4.0
137.02502	0.9
139.04016	1.7
143.03516	2.1
146.03734	1.5
147.04521	14.6
148.05350	5.0
149.02472	6.2
149.06096	1.3
150.03218	1.7
152.01160	3.4
153.07106	0.7
155.10838	2.1
157.02965	3.1
158.03741	1.0
159.04593	1.3
161.02449	1.5
161.06078	5.5
162.03241	1.6
165.05586	8.8
167.03510	24.0
168.03813	1.7
169.01477	2.3
169.06578	11.6
171.04410	1.2
172.05319	5.5
173.06064	1.4
173.11794	4.2
174.03253	4.0
175.04018	21.1
176.04494	0.9
185.06122	2.6
186.06822	1.8
187.04053	1.6
187.07640	10.1
188.07986	0.8
189.05635	2.5
191.03508	0.9
193.05017	0.9
196.05312	3.9
197.04248	1.1
197.06076	20.9
199.04010	7.2
203.07179	2.8
204.04204	1.1
204.07796	2.5
205.08681	0.9
208.99216	0.9
211.27719	0.8
212.04822	1.1
213.05634	4.8
214.06377	20.7
215.07089	5.3
219.03006	7.3
219.10289	2.7
220.10603	0.7
229.08681	6.8
231.06613	2.1
232.07211	1.2
240.04114	1.0
241.05095	6.2
243.03105	1.3
247.09818	3.4
258.05380	5.5
263.09323	1.2
273.07724	15.3
274.08154	1.4
291.08774	4.2
311.95901	0.9
317.06732	2.6
327.62430	0.8
335.07751	100.0
335.17038	19.4
336.08078	8.7
345.14896	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60544	0.7
53.03395	0.7
57.03440	0.9
58.04886	0.8
59.01385	11.6
63.02397	0.8
65.22299	0.6
70.54425	1.0
70.54752	1.3
71.01392	6.5
81.03453	1.1
83.01385	4.4
85.02983	1.7
87.00888	2.0
89.02455	6.1
95.05043	4.1
97.02939	1.7
101.02451	3.5
105.03458	1.2
109.02966	2.9
111.00905	0.9
113.02469	2.4
115.03997	3.4
119.03512	1.3
119.05032	3.5
121.02945	0.9
122.03722	2.1
123.04536	8.7
124.01662	1.0
125.02455	0.9
127.11304	0.8
129.03513	1.0
133.02963	1.1
134.03723	0.7
135.04565	4.0
137.02502	0.9
139.04016	1.7
143.03516	2.1
146.03734	1.5
147.04521	14.6
148.05350	5.0
149.02472	6.2
149.06096	1.3
150.03218	1.7
152.01160	3.4
153.07106	0.7
155.10838	2.1
157.02965	3.1
158.03741	1.0
159.04593	1.3
161.02449	1.5
161.06078	5.5
162.03241	1.6
165.05586	8.8
167.03510	24.0
168.03813	1.7
169.01477	2.3
169.06578	11.6
171.04410	1.2
172.05319	5.5
173.06064	1.4
173.11794	4.2
174.03253	4.0
175.04018	21.1
176.04494	0.9
185.06122	2.6
186.06822	1.8
187.04053	1.6
187.07640	10.1
188.07986	0.8
189.05635	2.5
191.03508	0.9
193.05017	0.9
196.05312	3.9
197.04248	1.1
197.06076	20.9
199.04010	7.2
203.07179	2.8
204.04204	1.1
204.07796	2.5
205.08681	0.9
208.99216	0.9
211.27719	0.8
212.04822	1.1
213.05634	4.8
214.06377	20.7
215.07089	5.3
219.03006	7.3
219.10289	2.7
220.10603	0.7
229.08681	6.8
231.06613	2.1
232.07211	1.2
240.04114	1.0
241.05095	6.2
243.03105	1.3
247.09818	3.4
258.05380	5.5
263.09323	1.2
273.07724	15.3
274.08154	1.4
291.08774	4.2
311.95901	0.9
317.06732	2.6
327.62430	0.8
335.07751	100.0
335.17038	19.4
336.08078	8.7
345.14896	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0774
Annotation	globosuxanthone B
Peak:m/z	Relative Intensity
50.27704	0.8
56.61946	0.8
59.01387	8.2
67.01893	5.8
68.99828	1.5
73.02943	1.3
83.01394	2.6
85.82117	0.9
93.03462	10.2
95.01424	1.2
98.22619	1.9
99.00890	2.4
107.05047	1.3
109.02965	18.1
111.00890	23.4
111.04539	2.1
121.02970	2.4
123.00911	1.6
132.02205	0.9
133.02960	11.4
134.03757	2.2
135.04536	50.7
136.04886	2.2
137.02457	2.7
139.00403	5.0
143.03494	7.3
143.05046	1.7
145.02966	2.0
147.04539	2.9
149.02454	13.2
159.04529	11.2
161.02458	29.1
162.02783	2.4
163.04025	2.2
171.04485	4.4
173.04576	1.7
174.03290	1.6
175.03989	2.5
177.07158	0.9
177.46060	1.0
179.03503	36.3
180.03838	1.3
183.03024	1.3
185.06189	1.0
187.04053	12.0
188.04773	6.6
189.05533	2.6
191.03465	0.9
197.02420	1.7
199.03996	4.0
205.05028	1.1
213.05569	1.6
215.03519	37.9
216.03986	3.4
216.06445	0.9
216.68768	0.9
217.05093	1.3
219.06593	1.9
226.02692	1.7
231.06508	1.6
232.03802	3.6
233.04544	1.8
241.05049	3.0
242.55865	1.0
243.02988	81.4
244.03436	4.9
247.06110	18.5
248.06578	1.9
261.04135	3.3
273.07657	3.6
275.05609	25.4
275.08478	1.8
303.05109	5.0
335.07733	100.0
335.20740	1.8
336.08044	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54882	0.4
59.01400	0.5
63.31152	0.5
69.01184	5.0
73.02955	1.7
73.06662	0.5
81.03463	0.6
83.05029	1.3
91.05514	0.5
93.03462	11.8
93.41250	0.5
107.05041	1.5
109.02954	1.1
111.04541	4.1
117.03446	0.6
133.02969	8.6
134.03786	5.4
135.04539	100.0
135.39191	0.5
136.04892	4.2
137.02461	6.4
155.03511	1.8
161.02455	23.7
162.02861	0.8
170.37866	0.5
173.04553	1.9
179.03511	88.8
180.03842	4.8
294.70557	0.5
335.07761	25.0
336.08170	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0776
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
59.18614	1.0
71.01380	1.1
73.02987	1.2
83.05048	7.8
93.03469	40.7
94.03790	1.9
107.05025	1.5
109.02963	1.3
111.04538	23.7
133.02975	16.1
134.03767	9.2
135.04538	96.4
136.04846	3.9
137.02463	12.5
140.53943	1.1
155.03502	15.7
161.02467	35.7
162.02750	1.2
173.04594	3.6
178.02702	4.4
179.03508	100.0
180.03815	5.1
228.70479	1.3
235.55261	1.0
241.17671	1.1
247.09714	1.4
285.75732	1.1
291.08768	3.1
318.79129	1.4
335.07748	13.9
336.08017	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.9
56.53719	1.2
57.03437	2.2
58.00574	2.7
58.02968	1.8
59.01382	95.2
60.01701	0.9
65.03944	2.2
67.01886	1.8
69.03432	1.5
71.01387	54.5
71.29333	1.2
72.99304	3.9
73.02966	5.1
81.03432	2.4
83.01376	4.9
83.05038	7.0
85.02952	11.9
87.00867	3.0
89.02450	51.5
89.12122	0.9
93.03462	98.7
94.03801	2.9
94.16090	1.1
95.01379	4.4
98.22258	1.4
99.00917	2.5
100.07670	2.5
101.02448	28.9
109.02956	1.5
111.00853	2.8
111.04526	25.6
111.08148	4.3
112.04819	0.9
112.98755	1.2
113.02451	18.2
114.05605	2.5
116.49489	0.9
119.03506	20.9
128.07158	2.9
130.42436	0.9
131.03465	1.7
134.45175	0.9
137.02451	100.0
138.02771	3.5
143.03502	2.0
149.04567	1.6
154.99872	3.6
155.03511	49.7
155.07101	6.2
156.03857	1.3
156.06619	1.4
159.58673	1.0
161.04564	2.2
173.04550	5.4
173.08197	9.0
174.07686	7.8
179.03535	1.8
179.05588	2.1
297.11893	3.6
317.08786	1.2
335.09662	8.3
335.13443	78.0
336.09149	1.2
336.13208	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25431	0.3
59.01374	0.6
67.28043	0.3
67.58400	0.4
71.31678	0.5
79.95749	0.7
96.96017	34.3
101.02441	0.4
118.05122	0.3
121.52724	0.3
137.06409	0.4
138.22816	0.4
152.79382	0.3
237.14903	0.7
241.21585	0.5
253.14503	1.1
255.16023	53.6
256.16403	4.2
335.11707	100.0
336.12000	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
57.03434	1.7
58.00589	3.6
59.01383	91.5
60.01729	1.1
69.18111	5.4
69.18521	2.0
71.01389	47.8
72.99297	3.5
73.02942	1.9
83.01390	3.3
85.02949	8.5
87.00878	2.6
89.02453	54.3
92.18755	1.1
93.03462	13.0
95.01403	3.5
98.21802	1.9
99.00907	1.0
101.02454	34.6
101.53768	1.0
106.73910	1.0
113.02454	18.1
114.02756	1.1
119.03512	28.4
125.02475	1.7
131.03543	1.6
137.02455	19.8
143.03500	2.3
149.04530	1.1
149.32214	1.0
155.03555	1.8
155.07135	5.7
161.04597	1.4
173.08167	5.4
179.05583	4.1
186.98323	1.1
192.36548	0.9
233.35321	1.0
274.04910	1.1
278.79590	0.9
335.13510	100.0
336.13922	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99063	0.5
55.01871	1.0
57.03433	1.2
58.00584	1.5
59.01381	46.9
60.01719	0.6
60.05565	0.4
71.01383	24.5
72.99303	2.0
73.02936	1.9
75.21533	0.4
80.26104	0.5
83.01376	1.4
85.02554	0.5
85.02960	5.9
87.00868	0.8
89.02451	19.4
95.01394	2.2
99.00887	0.8
101.01821	1.0
101.02454	15.0
101.03124	0.8
113.02464	8.7
119.03516	7.1
127.11302	1.6
132.72386	0.4
150.07391	0.4
155.10780	11.5
156.11102	0.6
161.06000	0.5
171.10300	0.5
173.06056	0.8
173.11836	13.2
187.07649	0.8
200.04802	0.6
215.07033	0.9
247.09673	2.5
253.98801	0.4
259.06116	0.5
287.25119	0.4
317.16174	0.7
335.17133	100.0
336.17520	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1867
Annotation	Smardaesidin G
Peak:m/z	Relative Intensity
54.53743	0.7
55.65773	0.7
61.98824	1.2
63.27517	0.7
70.17820	1.3
70.18164	0.8
71.01384	22.0
78.70079	0.5
80.08622	0.7
85.56467	0.6
89.19399	0.6
98.00106	7.5
99.00894	6.8
104.21527	0.6
109.06621	0.8
115.00382	43.5
116.00742	0.9
125.51230	0.7
144.28395	0.7
172.76506	0.7
215.14461	3.1
229.19675	0.7
234.42163	0.6
234.80035	0.8
259.13351	0.8
273.18622	6.0
317.17599	3.0
335.18661	100.0
336.19058	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.223
Annotation	CHEBI:69970
Peak:m/z	Relative Intensity
60.25301	0.5
63.95943	0.5
71.01383	12.6
73.02946	0.6
73.17673	0.4
73.99052	0.6
77.77872	0.4
83.05031	0.5
90.74131	0.4
106.64688	0.4
109.06633	0.7
140.11122	0.5
161.02588	0.5
184.63942	0.5
217.16052	0.7
223.81229	0.5
229.12335	0.5
235.17036	4.2
243.17455	0.7
245.15323	2.3
251.16426	0.8
259.16980	1.9
261.18585	36.6
262.18933	2.7
263.20154	52.4
264.20459	4.9
277.18118	3.4
289.21692	1.7
291.16025	0.7
291.23322	6.7
292.23682	0.9
295.19122	9.8
296.19400	1.1
307.19199	4.2
317.21313	0.8
335.22278	100.0
336.22583	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58939	1.3
55.01874	1.8
57.03447	14.7
59.01374	1.5
60.87799	1.3
68.80193	1.4
69.03465	1.5
70.28127	3.4
71.01378	3.3
72.99308	3.2
81.74317	1.6
83.01395	15.9
84.02164	1.7
85.02960	51.3
93.03475	7.5
96.96053	1.8
97.02973	1.8
111.00897	4.2
111.04546	2.6
117.03468	7.1
119.05039	85.3
120.05396	3.7
125.02474	2.2
129.01956	53.2
143.04955	3.0
145.02977	43.6
147.03036	3.4
147.04625	1.9
154.99879	10.6
163.04027	100.0
164.04369	5.0
169.98790	1.8
173.00929	38.8
173.04492	12.7
177.05617	1.8
185.06099	5.6
191.05630	13.9
203.07140	8.7
231.06660	12.1
319.04788	1.8
337.05624	1.8
337.09500	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.1
57.03450	19.3
58.17822	0.9
59.01381	3.4
69.46267	0.9
70.06834	2.8
71.01384	3.5
71.23263	0.9
72.99301	2.6
79.60589	0.9
80.91244	0.9
83.01389	8.6
84.02164	3.4
85.02957	100.0
86.03297	1.3
93.03462	2.2
111.00868	3.9
117.03474	6.2
119.05033	29.5
120.05404	1.6
125.02452	1.1
129.01955	55.0
130.02304	1.7
145.02965	27.2
146.03296	1.8
147.03008	31.0
147.04413	1.5
147.04628	1.4
154.99904	4.9
155.10326	1.0
163.04012	14.6
173.00922	43.8
173.06050	1.0
174.01309	1.3
175.06131	1.5
191.02136	0.9
191.05600	6.3
203.07106	3.3
213.05635	1.3
231.06648	7.0
235.23772	0.9
278.86914	1.0
319.04572	2.3
337.05649	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	2.2
57.03449	11.9
58.29054	0.9
58.71452	0.9
59.01381	5.3
65.26550	0.9
71.01384	6.3
72.99303	6.1
78.61417	0.9
83.01386	2.5
84.02180	3.1
85.02953	100.0
86.03263	1.3
93.03471	2.5
101.02463	1.2
111.00871	2.8
117.03472	7.9
119.05040	21.0
119.05831	1.6
129.01997	5.3
145.02957	39.6
146.03354	2.0
147.03003	50.9
148.03368	1.2
163.04018	26.1
173.04553	3.1
191.01956	2.2
191.05612	9.5
192.76904	1.1
230.13664	1.6
231.06555	1.3
288.07831	1.0
293.06683	3.4
294.65756	1.1
319.48990	1.1
337.14465	1.4
354.72803	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63034	1.3
54.38603	1.4
57.03451	9.9
59.01374	8.9
65.03529	1.4
67.01891	6.0
69.03169	4.4
69.03587	9.5
71.01384	9.5
72.99313	1.6
73.02945	1.5
83.01402	2.5
83.04993	1.5
84.02159	1.6
85.02958	73.5
86.03287	1.6
87.00876	3.0
93.03464	29.4
98.22556	2.3
99.00883	3.6
101.02440	3.9
107.20682	1.4
109.02973	3.3
111.00911	4.1
111.04522	5.4
113.02440	1.6
115.00373	5.4
117.03456	5.1
119.05045	27.0
129.01944	2.1
133.02971	2.2
135.04500	3.2
137.02461	6.6
145.02966	16.0
147.03008	9.6
147.27513	1.5
149.06097	8.0
155.03471	4.3
156.37582	1.4
161.02489	9.7
163.02744	2.6
163.04028	33.9
173.04565	100.0
174.03403	1.4
174.04927	4.5
175.02461	4.0
175.03951	2.5
177.02002	2.6
179.03488	1.6
189.05544	2.2
191.01996	50.6
191.05573	6.6
192.02348	2.6
211.07692	2.3
228.07138	1.8
233.04526	3.1
237.04196	2.1
293.06567	3.8
337.09091	4.4
350.52493	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
57.03189	0.9
57.03453	13.8
59.01385	3.8
71.01380	3.2
71.31077	1.1
72.38976	0.7
72.63564	0.7
72.99305	1.1
83.01386	1.7
84.02165	2.9
85.02956	100.0
86.03310	1.8
87.00893	1.3
91.54581	0.7
93.03468	3.5
96.95973	1.1
103.00420	0.8
104.53173	0.7
111.00881	2.9
115.07661	1.0
117.03468	3.5
119.05045	27.1
120.05359	1.2
123.25343	0.8
127.62421	0.8
129.01944	7.6
129.66241	0.7
135.04536	0.8
141.70825	0.7
143.87640	0.8
145.02965	20.7
147.02995	11.1
160.01721	1.6
161.02504	0.8
163.04021	33.2
164.04338	1.3
173.00945	3.6
173.04590	6.9
175.04054	1.1
179.03464	0.7
182.72911	0.7
188.31151	1.0
191.01987	73.1
191.05598	10.9
192.02312	2.6
203.07202	1.1
231.06645	2.5
297.18820	0.7
337.09280	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32492	1.8
55.01872	5.2
56.42446	1.6
56.81356	1.6
57.03456	13.7
59.01378	4.5
59.67945	1.7
67.01893	3.5
69.23708	1.5
69.23996	14.7
71.01379	9.3
72.99341	1.9
73.02959	1.7
73.86378	1.6
83.01389	7.8
84.02168	5.1
85.02957	100.0
86.03294	2.1
87.00830	2.6
89.02461	2.1
92.05062	2.0
93.03479	12.0
95.01344	1.8
98.22496	3.3
101.02434	3.5
111.00883	23.1
111.04544	3.7
113.02426	2.4
117.03484	3.9
119.05035	76.2
120.05394	2.1
129.01953	19.5
132.02225	2.6
137.02470	2.4
145.02956	34.6
146.02475	2.3
147.03014	10.4
154.99881	2.0
155.03473	2.1
157.70706	1.9
160.01703	7.6
161.04553	10.0
163.04019	83.3
164.04385	2.6
173.00861	8.4
173.04553	18.4
175.02744	29.8
175.04056	8.9
176.03535	48.9
176.05016	3.2
191.01997	16.7
191.05627	53.7
192.06036	2.0
212.08279	1.5
231.06488	9.1
293.06592	2.2
327.08527	2.0
337.09720	1.6
338.08820	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
59.01377	6.3
62.27490	0.9
67.01900	4.3
69.20618	8.2
71.01390	10.5
73.02940	1.3
73.70013	0.8
75.00906	1.1
76.38506	0.8
81.03477	1.3
83.01384	7.7
83.05032	1.2
85.02962	6.5
87.00865	8.1
89.02467	1.5
93.03468	24.1
95.05059	0.9
98.21791	2.0
99.00896	7.1
101.02448	2.7
103.00449	0.9
105.07119	1.0
106.04273	1.1
109.02959	14.8
111.00909	1.3
111.04506	5.0
113.02489	1.9
115.00394	19.4
119.05035	23.3
119.05841	1.7
121.02969	1.8
121.06609	2.9
125.02470	1.0
127.04040	1.0
131.05019	1.3
133.02945	7.4
134.03702	1.5
135.04559	8.0
137.02434	3.2
145.02950	4.3
146.03719	1.1
147.04541	8.2
148.05333	5.5
149.06090	100.0
150.03241	1.7
150.06401	4.1
155.03510	4.4
159.03050	1.2
161.02463	26.0
161.06079	1.9
163.04019	31.8
164.04237	1.1
165.05569	3.6
166.99881	0.9
169.26692	1.0
173.04559	73.1
174.03348	1.7
174.04857	4.1
175.02490	9.4
175.04019	14.9
177.01933	14.9
177.05554	2.6
179.03546	4.2
187.04024	2.1
188.04713	1.3
189.05562	5.4
191.03688	1.9
191.05609	16.8
193.05096	13.7
205.05083	2.2
206.02176	2.9
209.04715	1.1
211.07655	9.0
212.08023	1.1
212.52191	1.1
219.00838	2.2
219.02995	28.0
219.06619	1.1
220.03329	2.0
221.04796	1.0
228.07246	1.4
231.06667	2.4
233.04552	12.4
234.04938	1.6
237.04051	47.4
238.04356	3.4
249.07683	3.4
266.61017	1.0
272.21353	1.0
275.05621	1.2
277.03510	5.0
289.05759	1.4
293.06677	5.7
319.04596	1.8
337.05667	6.4
337.09332	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	3.1
61.51350	0.8
67.64870	0.9
69.67839	1.8
69.68258	3.2
71.01392	1.5
72.99297	0.9
74.28212	0.8
85.02944	5.4
87.00877	1.3
93.03474	3.4
101.02455	1.0
110.06283	0.9
111.04539	2.8
113.06103	2.0
119.05038	57.1
120.05391	1.8
129.01909	1.0
133.18307	1.0
137.02434	2.7
140.55064	1.0
145.03004	1.7
147.03021	1.5
155.03526	3.1
163.04025	100.0
164.04366	4.3
165.21048	0.9
173.04532	3.2
191.05670	11.9
311.70673	0.8
337.08478	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.3
68.99831	3.7
70.41686	1.5
71.01395	3.4
73.02940	1.5
75.00879	1.5
78.95911	0.9
83.01377	2.0
85.02951	7.7
87.00879	2.6
89.02441	1.4
90.08678	0.6
93.03427	0.9
95.01384	0.8
97.02966	1.0
99.00890	5.5
100.47729	0.6
101.02454	1.7
102.98040	0.6
110.89920	2.9
111.00929	1.6
112.89648	1.4
113.02450	6.4
113.99593	23.7
115.00410	6.9
115.74394	0.8
116.28114	0.7
117.02044	0.7
127.00370	3.9
129.01950	2.8
136.02364	0.6
139.00410	0.6
149.04504	0.7
157.01450	4.1
169.01425	1.5
174.01715	21.6
175.02361	1.5
210.96962	0.7
254.03014	0.6
277.05658	24.8
278.06152	0.8
295.74774	0.8
337.07770	100.0
338.08072	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0931
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
50.94877	0.9
51.62255	1.0
56.81592	0.8
57.03439	2.8
59.01385	4.8
63.43004	1.1
68.99781	1.6
71.01380	3.6
71.27382	1.0
72.99327	1.4
73.02952	1.1
78.95902	3.4
83.01368	1.5
85.02495	1.3
85.02960	16.5
86.03307	1.1
87.00861	1.7
87.92507	1.5
88.98820	1.4
89.02409	1.3
93.03481	6.4
96.96957	2.8
97.02919	1.1
99.00859	2.2
101.02442	2.8
103.92021	1.9
111.00870	2.8
111.04519	3.6
113.02446	5.2
113.99595	10.3
115.00358	3.0
119.05038	57.8
120.05390	1.9
121.16322	1.0
127.00397	1.4
128.96770	2.6
129.01939	4.9
145.02881	1.0
147.03041	1.3
155.03474	2.7
157.01405	3.9
160.91815	2.7
163.04022	100.0
164.04326	4.0
173.00909	1.3
173.04526	5.6
174.01756	7.9
191.05630	13.8
192.91573	1.7
209.06686	1.1
246.88963	2.0
277.05692	10.6
288.40448	1.0
337.07730	47.4
337.14731	2.2
338.08170	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.093
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
70.59635	1.3
78.17068	0.6
83.05019	0.6
85.02959	1.1
87.94002	0.5
91.94012	0.6
93.03471	2.6
111.04523	2.4
119.05035	51.5
120.05390	1.8
130.22388	0.5
155.03558	2.5
163.04019	100.0
164.04388	4.8
173.04561	4.3
191.05623	11.1
192.06017	0.7
214.26225	0.6
225.34221	0.6
337.09369	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0932
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03460	1.2
59.01379	2.4
60.99313	1.8
67.01884	5.8
69.03461	1.3
70.39814	1.9
71.01390	4.4
81.03452	1.8
83.05012	1.3
85.02963	8.2
86.47270	0.9
87.00877	6.7
93.03464	40.2
94.03801	1.3
98.21828	1.0
109.03009	1.7
111.00893	1.8
111.04543	6.7
119.05033	20.8
127.04037	2.3
129.01984	1.4
137.02460	4.2
145.02956	2.3
155.03503	3.5
157.89468	0.8
163.04028	18.6
173.04565	86.9
174.04951	2.9
191.05630	100.0
192.05942	4.2
215.54576	1.0
253.51369	0.9
259.47900	0.9
337.09271	4.6
347.06027	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0931
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03437	0.3
59.01377	1.5
59.02853	0.2
60.99288	0.5
67.01887	1.2
68.04089	0.3
69.03447	0.4
71.01374	0.9
79.23394	0.2
81.03453	0.4
83.05016	0.4
83.12148	0.3
85.02421	0.3
85.02953	8.2
87.00874	2.5
93.03463	8.9
94.03812	0.5
98.21707	0.6
99.04520	0.4
109.02966	0.6
111.04526	1.5
117.03466	0.4
119.05048	2.5
123.65208	0.3
127.04028	2.0
145.02931	0.9
155.03502	0.4
163.04039	2.5
171.03018	0.9
173.04541	3.5
187.71284	0.3
191.05617	100.0
192.05962	3.3
228.81641	0.3
240.79205	0.3
327.08765	0.3
328.10187	0.3
337.09253	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00365	0.4
57.03445	1.9
59.01377	2.1
60.99286	0.6
67.01897	5.2
69.03450	1.2
69.32619	1.1
69.33020	2.6
71.01395	3.2
81.03465	0.8
83.05026	0.8
85.02955	5.5
87.00900	0.6
93.03468	29.8
94.03779	1.0
98.21796	0.9
101.01738	0.5
109.02950	1.0
111.00932	1.1
111.04536	5.6
117.03465	0.6
119.05044	17.2
127.04031	0.6
135.04504	0.7
137.02440	4.5
145.03001	0.5
155.03510	4.7
163.04021	21.2
164.04350	1.1
173.04561	100.0
174.04919	2.6
191.01973	2.1
191.05569	2.4
255.83516	0.5
255.86295	0.5
337.09280	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23956	2.4
57.03455	5.9
59.01373	11.5
62.50761	2.3
67.01880	2.6
68.32648	2.2
71.01370	10.4
71.30968	2.7
73.16257	2.4
79.97614	2.5
81.70454	3.1
84.06059	2.5
85.02958	50.1
93.03457	11.9
101.02454	7.7
111.00820	3.1
111.04553	3.1
113.02400	3.6
119.05036	30.0
129.01915	6.3
145.02957	9.5
147.03017	5.7
161.04527	17.3
163.04033	37.3
173.00934	2.9
173.04559	13.2
175.02751	28.0
176.03535	40.0
183.74898	3.0
191.01999	19.6
191.05627	100.0
202.36882	2.7
236.50473	2.4
275.36746	2.6
293.95358	2.9
338.08853	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1085
Annotation	(-)-Glyceollin I
Peak:m/z	Relative Intensity
54.79137	1.0
70.85052	2.2
87.51521	1.3
124.02529	1.2
145.02972	1.2
160.32123	1.3
177.05583	4.3
178.94260	2.3
195.08209	2.5
206.07379	1.7
207.08165	3.7
209.06123	1.4
219.08136	1.5
222.06892	2.2
223.07646	4.6
233.06082	1.7
234.06859	4.1
235.03966	2.7
235.07675	11.9
237.05542	2.3
249.05438	1.2
250.06378	1.6
251.07097	11.7
252.07539	1.5
263.07123	4.9
264.07764	1.9
266.09528	5.8
278.05841	4.1
278.74380	1.2
279.06641	84.6
280.06940	6.6
289.05170	1.8
290.05875	2.6
291.03412	1.9
291.06638	34.8
292.07315	11.0
293.08075	3.1
294.09076	9.9
305.08133	4.4
306.05511	2.5
306.08997	27.6
307.06158	100.0
307.09503	7.0
308.06635	7.2
321.07706	17.2
322.08463	59.3
323.08646	5.3
337.10849	51.8
338.11331	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52004	0.9
51.74772	0.8
53.05883	0.8
55.01890	2.0
57.03448	5.0
58.00597	3.5
59.01385	99.5
60.01741	0.9
60.74609	0.8
60.99333	1.2
62.39437	1.1
67.01865	1.1
69.29128	3.0
69.29538	2.0
71.01389	52.4
72.01711	1.2
72.99316	6.4
73.02962	1.3
75.00880	3.8
83.01389	4.6
84.02168	1.2
85.02962	32.9
86.03284	1.3
87.00880	4.2
89.02454	62.3
93.03458	11.2
95.01405	3.9
98.21859	1.5
99.00920	1.1
101.02452	35.3
109.02976	1.4
111.00896	4.1
111.04528	2.4
111.20397	1.0
113.01729	1.7
113.02460	20.0
113.09734	1.8
117.03528	1.2
119.03524	29.9
119.05018	12.4
120.03878	1.0
120.05418	1.5
125.02481	2.8
127.03994	2.0
129.01935	2.9
131.03513	2.3
143.03508	2.6
145.02957	7.6
146.73128	0.9
147.03004	2.2
149.04588	1.5
157.08766	1.4
161.04597	2.1
163.04010	15.3
173.01012	1.2
173.04576	7.3
175.09792	1.7
179.05617	4.3
191.01999	3.9
191.05629	88.7
192.05983	4.5
205.05205	0.9
337.15088	100.0
338.15482	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07452	15.9
71.05030	13.5
112.01703	2.4
182.61659	1.8
211.40494	1.9
237.22249	100.0
238.22556	8.9
260.01233	1.9
265.21747	8.4
281.21442	3.3
293.21280	46.3
294.21619	3.3
337.20178	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2022
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
51.29995	2.0
57.03460	10.0
59.01374	2.9
69.03453	3.8
71.29218	2.1
71.29748	2.8
94.99674	2.0
98.03745	2.2
122.74798	2.0
125.71023	2.0
132.38510	2.1
137.98647	2.3
221.19043	3.1
237.22250	100.0
238.22469	7.4
240.61819	2.2
265.21738	18.5
293.21213	46.9
294.21494	4.4
332.10080	2.2
337.20227	31.4
337.23904	1.8
338.20477	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2386
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
53.05680	1.4
57.03453	23.6
59.01384	100.0
60.95512	1.4
71.32177	2.0
76.59234	1.3
83.05004	3.4
96.96030	2.8
101.02437	7.7
119.05018	2.5
125.06112	5.1
131.85506	1.5
138.52483	1.3
163.04059	3.1
179.71719	1.5
180.24126	1.5
193.15912	2.3
233.55916	1.4
259.20645	7.8
319.22675	10.3
337.23874	54.5
338.24301	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2389
Annotation	KIRENOL
Peak:m/z	Relative Intensity
57.03443	3.4
59.01384	100.0
71.31844	1.3
71.32224	1.3
73.65585	0.8
91.82798	0.7
95.59384	0.8
99.00883	3.0
99.52521	0.8
116.76853	0.8
119.05018	0.8
163.03996	2.7
219.17548	1.7
271.85498	0.8
277.21576	0.9
337.20197	6.4
337.23856	60.4
338.24197	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2387
Annotation	KIRENOL
Peak:m/z	Relative Intensity
53.93269	1.3
57.03448	5.5
59.01384	100.0
71.31981	2.0
96.96004	1.4
113.28916	1.2
118.07170	1.0
119.05018	2.0
125.42595	1.1
139.11307	4.5
163.04065	2.2
166.95311	1.2
191.05681	1.4
206.28549	1.2
337.10922	1.6
337.23856	49.1
338.24246	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0883
Annotation	6-hydroxyindole-3-carboxylic acd 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03447	0.4
59.01382	5.0
71.01373	0.5
71.31161	0.5
85.02961	2.6
86.03294	0.8
86.65104	0.3
89.02420	0.4
92.05073	2.9
93.03455	0.7
102.03497	1.4
111.65441	0.4
118.03030	1.1
119.05020	1.0
120.04563	2.0
120.05346	0.6
129.01915	0.4
137.02477	0.4
144.04605	0.7
146.02480	4.6
146.03386	0.5
147.03242	2.8
148.04097	4.1
157.23967	0.4
158.02464	0.4
158.06154	0.5
160.04051	0.4
163.04048	1.2
164.04358	1.3
173.04564	0.8
174.01978	1.1
175.02757	59.1
176.03537	100.0
177.03874	4.6
186.05605	1.0
188.03571	1.5
191.05602	1.4
192.06024	1.1
207.05147	0.5
274.55014	0.3
305.35403	0.3
338.08838	48.9
339.09131	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83798	0.3
63.96220	0.7
64.97012	0.9
69.37244	1.7
77.69685	0.3
79.95741	25.5
80.96523	10.4
81.03469	1.6
83.05029	0.5
88.97035	6.5
94.98088	1.7
99.04538	1.3
125.02471	0.4
127.04014	0.9
147.01176	0.5
160.99156	0.8
161.99889	0.5
163.00687	1.1
177.02267	3.6
188.98663	0.7
189.99419	0.5
191.00244	1.1
221.01254	100.0
222.01535	3.5
259.80051	0.3
284.50476	0.3
339.11206	17.1
340.11691	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	1.6
59.01381	53.0
61.87970	1.1
70.59271	2.2
70.59621	1.8
71.01384	10.0
72.90510	1.1
72.99303	3.6
73.04079	2.6
74.02474	3.8
80.15255	1.1
89.02453	8.9
99.00774	1.2
101.02451	9.9
119.05009	2.6
131.04645	3.4
135.97153	2.5
158.04861	13.4
159.05650	57.3
160.06114	2.0
161.07208	4.2
163.04004	3.0
173.07211	69.4
174.04398	1.9
174.07542	3.0
176.05824	2.5
177.01962	13.6
177.06708	33.9
189.06665	5.5
191.08282	18.6
203.08279	3.2
205.06186	100.0
206.06451	4.7
208.74893	1.2
219.07748	79.6
220.08072	3.3
245.09218	1.8
260.10349	9.3
293.11356	1.6
321.10886	4.9
339.07913	2.8
339.12003	45.2
340.06192	6.9
340.12332	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.124
Annotation	Dehydroxycubebin
Peak:m/z	Relative Intensity
61.98823	0.5
73.25188	0.4
78.33848	0.4
82.87337	0.6
93.03448	0.8
117.82568	0.4
121.02948	0.8
143.13306	0.4
146.03708	0.7
160.05275	1.8
175.04063	2.1
175.07617	4.9
183.04593	0.5
184.05269	0.7
188.04797	1.3
195.04521	1.3
202.06284	0.8
203.07054	1.4
211.03978	3.2
212.04753	2.2
223.04041	2.3
239.03479	4.4
240.04227	1.4
243.23566	0.5
253.08688	1.2
261.61343	0.5
266.05908	0.6
267.10251	1.8
268.11035	0.6
279.10272	0.5
281.08118	3.1
284.83841	0.5
295.09729	6.6
296.10535	20.5
297.10947	2.1
309.07846	0.7
324.10034	100.0
325.10370	10.2
325.13989	0.9
339.12378	89.2
340.12695	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01088	6.4
59.01381	84.1
64.64491	3.0
69.84470	7.3
69.84879	8.7
71.01381	9.3
73.02950	8.7
85.02955	8.6
86.12453	3.0
87.00912	3.7
89.02465	3.5
90.77630	2.9
93.03451	10.0
101.02430	8.8
109.05120	3.9
113.02473	10.5
117.05592	100.0
119.03481	4.3
119.05034	13.0
120.05385	6.0
121.03006	6.1
139.04042	13.5
163.04025	11.4
164.04381	7.5
165.01933	7.8
165.04575	12.1
173.04582	8.0
177.01924	21.4
191.05641	70.5
192.05943	4.7
193.06203	4.4
221.53854	3.4
293.45663	3.5
339.07135	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.233
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
56.88189	0.5
68.60860	0.3
82.56716	0.3
83.88221	0.3
87.20743	0.3
156.44897	0.3
163.11301	85.9
164.10286	0.5
164.11626	4.7
167.42656	0.3
177.14798	0.3
186.64252	0.3
216.18231	0.4
339.23306	100.0
340.23657	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32669	1.2
59.01382	100.0
60.01707	1.3
66.03321	1.3
71.31806	1.9
102.46037	1.2
140.99178	1.3
279.23355	5.8
291.76880	1.1
297.24374	43.4
298.24655	3.2
339.25366	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01698	1.0
70.65819	2.5
70.74497	0.9
75.09377	0.9
76.65582	0.9
128.93875	0.9
159.44087	1.1
223.11223	0.9
279.23386	6.1
297.24380	37.1
298.24780	4.0
339.12079	1.2
339.25433	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36899	1.0
53.55180	0.6
58.02971	2.6
63.96240	1.6
64.97027	8.4
69.46806	1.3
69.47205	3.4
70.04964	0.8
71.77911	0.7
72.00922	0.8
73.04078	33.5
74.02480	28.0
79.95751	1.7
80.96497	0.9
83.02536	1.3
85.04086	7.3
87.05650	16.0
91.98132	3.6
95.97646	1.4
96.96019	4.9
97.65399	0.7
99.55455	0.8
107.97619	4.2
113.03617	3.9
116.05067	10.2
126.01477	0.8
130.06624	2.0
131.04639	40.5
135.97118	19.5
136.16545	0.7
142.06618	3.7
159.09262	1.2
159.99481	0.8
192.99283	1.1
203.06512	1.1
203.08289	15.0
216.11453	9.2
231.72238	0.9
260.10406	100.0
261.10721	8.1
340.06091	73.8
341.06479	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0667
Annotation	Phyllocoumarin
Peak:m/z	Relative Intensity
53.30194	0.6
59.01389	0.7
65.00334	0.9
68.04942	0.5
71.31689	1.5
95.05017	1.8
96.95997	0.9
101.02465	0.6
102.40491	0.6
103.05528	1.3
105.03513	0.6
109.02956	21.8
117.03470	1.1
119.05033	1.9
119.44905	0.6
121.02978	1.5
122.03766	0.7
123.04533	19.9
133.02965	4.1
134.03773	0.8
145.02878	1.4
147.04546	6.3
149.02486	1.3
150.03252	1.2
151.04019	8.6
157.77690	0.7
159.04526	1.9
161.02463	4.4
161.72952	0.6
162.03152	0.8
163.03900	0.8
169.66216	0.7
176.01131	1.6
177.01939	27.9
178.02264	1.2
179.05473	0.6
187.04056	1.5
189.01938	72.5
190.02698	16.9
191.03519	13.1
201.01945	0.8
203.03528	8.0
213.02077	0.7
216.00650	11.0
217.01416	36.8
218.01929	2.8
219.02983	14.2
220.03397	0.7
231.02989	11.5
232.03633	1.9
233.04390	0.9
262.76935	0.6
281.04541	1.5
297.07724	2.6
311.09219	1.0
323.05713	2.1
326.11578	0.9
341.06665	100.0
342.06995	9.1
342.10974	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0879
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.27602	0.3
59.01383	6.9
69.73941	0.8
69.74344	1.1
71.01391	3.0
77.65832	0.3
79.42281	0.3
85.02965	1.1
89.02445	2.7
89.03951	0.3
101.02449	1.4
105.03462	0.5
113.02469	1.1
117.03491	0.5
119.03532	0.8
132.02174	1.1
133.02965	25.9
134.03354	1.2
135.04535	15.0
136.04855	0.7
149.06079	0.6
161.02454	100.0
162.02791	5.7
164.04791	0.5
175.62186	0.4
177.01964	0.5
177.05626	0.9
178.02357	0.6
179.03523	14.9
180.03897	0.7
190.00467	0.3
203.03508	2.6
219.98528	0.3
221.02658	0.4
221.04593	1.1
233.14711	0.4
251.05624	1.2
279.01144	0.3
281.06738	1.6
313.20770	0.3
327.65186	0.4
341.08783	8.7
342.09140	0.8
353.51926	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0879
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
52.93114	0.3
54.36935	0.3
54.82606	0.3
70.61749	0.4
70.62069	0.4
77.08241	0.3
83.66571	0.3
107.05039	1.0
133.02942	0.9
134.03741	3.0
135.04538	89.3
136.04866	4.6
161.02499	0.8
170.88397	0.3
178.02710	0.7
179.03513	100.0
180.03876	4.2
195.05095	0.4
280.52243	0.4
341.08810	11.7
342.09137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	6.5
59.01388	17.4
65.71005	2.3
69.23057	6.5
69.23479	7.9
71.01380	14.6
72.99310	3.8
75.00877	40.0
84.69103	1.9
85.02951	12.2
87.00916	4.1
89.02460	7.8
89.51984	2.3
98.22576	4.9
99.00903	8.3
101.02437	3.0
111.00926	3.0
113.02483	2.6
119.05042	61.5
120.05342	3.0
124.40621	2.2
129.01939	23.4
134.03745	5.9
135.04536	87.4
136.04860	3.3
151.00432	2.9
159.03015	8.8
163.04022	79.4
164.04370	4.0
177.01836	2.1
177.04074	13.8
179.03519	21.3
179.05081	2.3
179.05655	2.4
179.07140	4.6
195.05109	100.0
196.05420	3.5
265.05380	2.2
340.23083	2.1
341.08701	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0879
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
55.96945	0.3
59.01384	1.2
69.02477	2.5
69.02902	1.1
71.01386	0.9
75.00886	1.2
85.02960	0.6
87.00876	0.6
89.02462	0.7
101.02519	0.5
107.05054	0.9
113.02480	0.4
117.03455	0.5
119.05071	0.8
121.95330	0.3
129.01962	0.5
133.02969	0.5
134.03745	5.1
135.04536	100.0
136.04884	4.1
140.70901	0.3
161.02498	0.6
163.04039	1.0
165.04073	0.5
177.04066	1.4
178.02670	0.5
179.03508	98.4
180.03853	4.4
193.05051	0.9
195.05084	1.9
284.73334	0.3
316.15210	0.3
341.08804	10.6
342.09073	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1031
Annotation	porphyrin-5,15-diol
Peak:m/z	Relative Intensity
51.26673	0.5
55.01875	3.1
59.01382	1.5
65.03945	1.1
69.87109	0.5
70.81112	1.2
71.01381	1.5
71.74918	0.6
77.49075	0.6
81.03457	1.5
83.01392	100.0
84.01747	1.5
87.97108	0.5
89.02464	1.2
89.03925	0.7
93.03473	8.5
107.05044	8.3
109.02944	4.2
113.89717	0.6
119.05046	0.7
121.02962	42.6
122.03269	1.9
123.04533	5.0
129.05705	0.7
133.02963	6.6
135.04533	3.2
147.04544	1.9
147.08176	0.9
150.94939	0.6
151.03996	2.2
179.03587	0.7
193.05049	2.1
219.06647	4.4
253.16245	0.9
297.11334	2.0
323.32733	0.8
341.10300	89.1
342.10681	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90663	0.9
55.01873	2.2
57.03443	3.1
58.00592	2.7
59.01386	100.0
69.03472	1.1
70.47230	2.1
70.47588	2.3
71.01389	69.7
72.99306	3.3
73.02962	8.3
75.00874	2.2
75.80514	1.1
83.01390	4.5
85.02957	16.7
87.00877	19.4
87.36986	1.2
89.02454	77.0
93.03470	1.5
95.01408	3.4
97.02968	3.8
99.00902	3.2
101.02454	44.6
102.02795	2.3
108.34243	1.1
113.02454	25.7
119.03517	22.4
125.02459	8.5
129.01996	1.5
131.03513	3.1
133.02985	2.1
135.04546	13.9
138.20985	1.1
141.01987	1.4
143.03529	13.4
149.04572	4.0
161.02521	6.7
161.04568	27.6
179.03551	6.8
179.05618	48.5
180.06300	1.2
191.05641	2.9
194.32217	1.2
202.78217	1.0
267.06720	1.2
281.08780	1.5
315.73291	1.3
323.10236	1.4
330.51071	1.1
341.10965	49.5
342.07074	2.8
342.11502	2.9
364.69650	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.0
57.03450	3.7
58.00587	3.8
59.01383	100.0
60.01727	1.1
69.03460	2.0
69.23193	1.6
69.23611	5.1
71.01387	67.6
72.01715	1.2
72.99309	3.6
73.02956	9.0
75.00880	1.5
78.95887	1.2
83.01389	6.1
84.54484	1.0
85.02957	22.4
87.00883	27.6
89.02452	82.6
90.02738	0.9
95.01387	4.0
96.55203	1.0
97.02951	4.6
99.00896	6.1
101.02454	50.1
107.01415	1.1
113.02459	22.5
113.95216	1.0
117.01942	2.8
119.03504	20.9
125.02454	8.4
127.49211	1.0
128.89729	1.0
129.01872	1.3
131.03481	5.0
136.04491	1.0
141.02010	1.6
143.03522	13.5
149.04543	4.1
159.17175	1.1
161.04579	43.1
162.04947	1.6
179.05621	59.1
180.06044	1.7
206.95418	1.1
237.06033	1.2
280.37802	0.9
281.08676	1.9
301.48438	1.1
323.09836	1.5
341.10904	56.0
342.11240	3.9
361.86371	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1243
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
57.03449	1.2
59.01382	10.4
59.52156	0.9
69.16083	6.1
69.89824	1.0
71.01392	13.6
72.99332	1.3
73.02952	2.8
75.00874	4.0
80.96546	1.4
83.01384	1.3
85.02978	5.6
87.00890	14.3
89.02448	7.7
93.03480	2.4
95.01399	1.5
99.00902	2.5
101.02465	6.2
107.05041	1.4
109.02927	1.4
113.02425	4.9
117.34486	1.0
119.03542	2.7
119.05045	11.0
121.02969	9.0
129.01959	2.8
131.04680	1.2
133.02980	8.4
134.03777	1.8
135.04538	65.3
136.04861	2.9
139.04008	1.0
143.03500	1.2
149.02452	3.6
159.02969	2.3
161.02475	23.5
161.04556	1.9
163.04024	89.3
164.04808	71.7
165.05156	3.2
177.01959	1.5
177.04094	1.5
177.05560	1.6
178.06366	21.1
178.07899	1.6
179.03552	37.7
179.05748	3.3
179.07133	100.0
180.03816	1.3
180.07436	4.3
195.05093	9.8
203.03586	0.9
210.07698	0.9
221.08249	1.2
260.07227	0.9
261.10684	2.9
335.36349	1.0
341.05432	1.5
341.09073	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	36.9
58.03784	0.8
59.39360	0.5
61.88985	0.4
67.67926	0.4
93.03466	1.3
98.21700	0.7
109.02943	3.0
116.06680	0.4
121.02969	29.7
122.03312	1.3
134.03688	0.6
137.25031	0.4
148.91408	0.5
158.35298	0.4
179.07152	100.0
180.07518	5.6
195.15932	0.5
341.12354	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1242
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
56.62589	0.3
57.03450	33.2
58.03787	0.5
59.01365	0.8
71.01374	0.5
75.00857	0.9
87.00871	0.5
93.03458	1.5
108.02201	0.4
109.02953	2.8
110.63906	0.3
119.05057	1.0
121.02967	31.4
122.03302	1.3
129.01955	0.5
134.03764	1.0
135.04541	18.5
136.04865	0.9
139.08145	0.3
141.11203	0.4
144.10930	0.3
163.04021	1.4
177.04045	1.1
179.03592	15.8
179.07144	100.0
180.03897	0.5
180.07500	4.8
195.05083	2.9
341.08737	2.6
341.12521	2.1
350.47717	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40810	0.3
58.03560	0.3
59.01370	0.4
62.15625	0.3
65.00318	0.6
67.01881	0.3
68.26936	0.3
71.01397	0.4
71.28584	0.3
77.03979	0.5
81.03463	0.5
83.20377	0.3
85.09134	0.3
89.02448	0.4
89.03970	1.5
91.01923	0.7
91.05543	0.4
93.03452	1.5
95.01421	0.3
95.05037	2.1
95.62605	0.2
102.04759	0.4
103.05547	1.5
105.03493	1.1
108.02187	1.2
109.02962	28.5
110.03297	0.7
112.31161	0.3
115.05523	0.6
117.03480	1.9
119.05022	2.0
121.02956	2.3
122.03771	1.0
123.04537	22.7
124.04804	0.6
124.28150	0.3
133.02972	6.3
134.03719	1.1
135.00945	0.6
135.04530	0.8
136.01653	0.3
137.02463	0.3
145.02966	3.6
146.03700	0.6
147.04527	6.5
148.01671	1.4
149.02480	2.0
150.03262	1.7
151.04019	11.1
152.04376	0.4
158.03662	0.3
159.04550	2.2
161.02452	5.3
162.03265	2.4
163.04041	1.5
164.04805	28.1
165.05173	0.8
173.02435	0.8
174.03133	0.3
175.04051	1.0
176.01178	2.1
176.04750	0.6
177.01947	39.6
178.02328	2.0
179.07155	22.4
180.07489	1.2
187.04002	3.2
188.01245	0.4
188.04736	1.7
189.01945	75.3
190.02696	19.4
191.03520	12.4
192.03848	0.7
201.01956	0.6
203.03529	6.5
203.05479	0.4
204.03981	0.5
209.06006	0.5
210.06830	0.4
211.04019	0.6
211.07715	0.5
212.04843	0.4
213.01981	0.4
213.05606	0.5
216.00648	12.0
217.01425	32.8
218.02075	4.2
219.02988	13.7
220.03406	0.9
222.01686	1.5
222.06909	0.4
223.07484	0.3
224.04826	1.8
224.08218	0.3
225.09196	0.4
227.07112	1.8
227.10741	0.5
228.07616	0.3
229.08736	1.5
231.02998	10.1
232.03604	2.1
233.04555	1.1
237.05606	0.6
238.06354	2.2
239.07048	0.4
239.10884	0.9
241.08815	0.9
251.07169	0.9
252.04251	0.5
252.07823	0.3
253.05099	0.7
253.08797	0.5
254.05948	0.3
254.09410	0.6
255.06526	0.4
255.10254	1.9
259.60956	0.3
264.04282	0.7
265.05081	1.0
266.05923	1.4
267.06549	0.4
267.10294	0.4
269.08191	0.4
269.11868	1.0
270.12561	0.7
279.06476	0.4
281.04596	7.4
281.07724	0.5
282.05032	1.0
282.08902	0.7
283.09766	10.7
284.10004	0.7
294.08932	0.6
295.06299	0.4
295.09741	1.2
296.10507	0.8
297.07745	5.0
297.11087	0.5
298.08151	0.6
298.12079	0.9
310.12152	0.4
311.09290	19.3
311.12360	0.7
312.09717	1.8
323.05728	2.2
323.08997	0.4
325.10809	3.3
326.11600	13.3
327.11966	1.2
341.06674	100.0
341.13846	11.9
342.07004	10.1
342.14240	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1393
Annotation	Arisantetralone A
Peak:m/z	Relative Intensity
50.63741	0.5
69.38706	2.5
73.67725	0.5
90.64804	0.5
91.05590	1.0
93.36642	0.5
95.05115	0.7
98.21862	1.2
109.02961	4.7
123.04516	3.1
133.03012	1.0
145.02960	4.1
147.04585	0.9
151.04105	2.2
159.04608	0.7
161.02544	0.9
162.03349	0.6
163.04102	0.6
164.04872	1.6
177.01941	7.8
177.03282	0.6
177.83791	0.5
179.07243	1.8
187.04074	0.7
189.01958	10.9
189.03629	0.7
190.02731	3.5
191.03571	1.7
196.05328	1.3
203.03621	1.3
207.08199	0.8
209.06111	1.1
210.06970	1.0
216.00690	2.4
217.01428	5.5
219.03011	2.2
222.06982	1.4
223.07736	1.2
224.04858	6.9
224.08508	1.1
225.09142	1.2
227.07230	0.8
227.10805	1.9
229.08617	0.7
229.93881	0.6
231.03084	2.1
235.07755	0.6
237.05609	0.8
238.06380	8.2
239.06918	1.3
239.10852	2.6
241.08752	3.5
250.06369	0.6
251.07181	1.2
252.04370	1.7
252.08000	1.1
253.08493	0.7
254.09601	2.3
255.10229	10.0
256.10721	1.0
265.05145	0.8
265.08685	0.9
266.05862	6.0
267.06393	1.0
267.10336	2.1
267.77164	0.6
268.84930	0.6
269.11816	3.7
270.05396	2.7
270.12552	2.9
281.04620	1.5
281.08224	0.7
282.08984	2.3
283.09775	54.6
284.10043	4.0
293.07999	0.9
294.09052	2.1
295.09711	5.5
296.10526	3.2
297.07727	2.2
297.11337	2.6
298.12082	4.1
309.11261	2.9
310.08472	1.8
310.12146	3.8
311.09280	100.0
312.09616	8.7
325.10818	14.9
326.11603	79.9
327.11929	7.4
341.06985	22.2
341.13925	77.3
342.07053	1.8
342.14255	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01370	0.3
58.42761	0.3
61.89014	0.4
67.54547	0.4
71.32005	0.4
79.46834	0.3
91.05527	0.7
103.27728	0.4
128.03677	0.4
135.04587	0.5
138.23560	0.4
144.43987	0.4
145.02972	3.4
146.03757	0.9
150.12830	0.4
156.82381	0.4
159.04543	0.4
165.02017	0.6
165.05481	0.5
171.08321	0.4
175.07657	0.6
180.05827	0.7
181.08714	0.7
194.07370	0.8
196.05324	1.4
207.08159	0.8
208.05373	0.5
209.06110	0.8
209.09732	0.6
210.06842	0.8
211.07552	0.7
221.06088	0.7
222.06865	1.6
223.07689	0.7
224.04803	7.3
224.08330	0.8
225.05205	0.6
225.09122	0.9
227.10831	1.8
235.07654	0.5
236.08316	0.5
237.05722	0.8
238.06337	8.1
238.10091	0.5
239.06900	1.2
239.10765	2.7
241.08694	3.9
249.05432	0.6
250.06386	0.7
251.07057	1.9
252.04305	1.5
252.07874	0.9
253.08640	1.7
254.09521	2.8
255.10297	9.1
256.10672	0.8
263.07172	0.4
265.05081	1.0
265.08615	1.3
266.05835	5.1
267.06277	0.9
267.10281	2.0
268.07437	0.4
269.08069	0.4
269.09103	0.4
269.11856	3.7
270.05377	2.4
270.12576	3.7
280.07645	0.5
281.08145	1.3
281.11502	0.3
282.09158	2.0
283.09772	51.1
284.10068	4.3
293.08163	0.5
294.09048	2.5
295.09769	4.8
296.10495	3.7
297.11252	2.5
298.04987	0.6
298.12115	4.6
299.12457	0.5
309.11417	2.1
310.08536	1.4
310.12140	2.9
311.09283	100.0
312.09616	9.7
312.13251	0.6
325.10834	15.3
326.11603	77.2
327.11978	6.4
341.13953	85.5
342.14337	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01412	1.0
60.76599	0.7
62.73120	0.6
64.38586	0.6
69.49769	3.7
71.01429	1.0
71.05063	0.7
83.05108	0.8
83.37824	0.6
88.23534	0.6
91.05624	0.7
93.03526	1.9
95.91875	0.8
106.97237	0.7
109.03014	0.9
111.04610	2.4
133.03041	0.9
143.05099	0.9
145.02945	4.2
151.07706	1.4
159.04457	0.7
171.10387	2.5
179.10843	1.5
196.05350	1.8
197.09741	1.0
201.11348	0.8
210.06943	1.1
211.07729	0.9
222.06822	1.4
223.07649	0.8
224.04829	5.6
224.08470	1.3
225.09325	1.5
227.10797	2.1
235.07773	1.2
236.08266	0.9
237.05586	1.0
237.09132	0.8
238.06340	9.4
239.10883	3.2
241.08719	4.1
251.07198	2.4
252.04410	1.5
252.07947	1.1
253.08705	1.8
254.09552	3.1
255.10265	9.7
256.10657	1.1
265.05246	0.7
265.08743	3.1
266.05771	5.7
267.06638	0.8
267.10208	2.3
269.11896	4.2
270.05386	1.2
270.12619	3.2
280.07364	0.9
281.08078	1.3
282.08978	2.2
283.09769	51.3
284.09973	4.1
293.08191	0.9
294.09027	2.4
295.09720	5.9
296.10510	4.3
297.11380	2.3
298.04935	0.9
298.12027	3.8
309.07724	0.9
309.11316	2.2
310.08542	1.7
310.12100	3.0
311.09274	100.0
312.09625	9.6
325.10834	15.4
326.11594	74.5
327.11890	7.4
341.13931	76.6
342.14267	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80364	0.3
57.77462	0.3
57.82817	0.3
59.01386	0.4
70.10941	1.2
71.01389	0.4
74.31131	0.3
80.38308	0.3
81.40161	0.3
84.63042	0.3
91.05544	1.0
95.41881	0.3
123.04541	0.5
135.04565	0.6
137.02467	0.3
145.02971	2.5
171.08177	0.6
179.03481	0.6
180.05772	0.5
181.08745	0.6
188.74425	0.3
189.01949	0.8
194.07359	0.7
196.05299	0.7
197.09729	0.6
199.07684	0.3
207.08191	0.5
208.05235	0.4
209.06023	0.4
210.06917	0.9
211.07480	0.6
217.01424	0.4
221.06133	0.7
222.06783	1.5
223.07605	0.9
224.04796	6.0
224.08345	0.9
225.05222	1.4
225.09181	1.2
227.10796	2.4
235.07695	0.9
236.08377	0.6
237.05627	0.8
237.09154	0.4
238.06364	8.8
238.09901	0.5
239.06812	1.3
239.10765	3.3
240.11650	0.4
241.08725	4.1
242.08916	0.4
243.10458	0.4
250.06358	0.7
251.07164	1.4
252.04330	1.9
252.07840	1.3
253.05057	0.4
253.08682	1.1
254.09523	2.9
255.10274	10.4
256.10672	0.7
263.07074	0.4
265.05103	1.2
265.08755	1.2
266.05832	6.2
267.06415	1.3
267.10251	2.0
269.11871	4.5
270.05298	2.3
270.12662	3.4
273.26376	0.3
280.07410	0.7
281.07495	1.3
282.08978	1.8
283.09781	52.5
284.10110	4.1
293.08270	0.4
294.09003	2.6
295.09808	6.7
296.10535	4.2
297.11252	2.7
298.04852	1.1
298.12125	4.0
299.12436	0.7
309.07993	0.6
309.11359	2.4
310.08490	1.5
310.12128	2.4
311.09283	100.0
312.09613	9.2
325.06964	0.7
325.10852	16.2
326.11615	75.1
327.11969	7.0
341.13953	77.9
342.14319	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1396
Annotation	Drypetenone C
Peak:m/z	Relative Intensity
50.26363	0.4
51.89174	0.4
59.01335	0.8
64.07692	0.4
66.18598	0.4
69.05559	1.7
69.05982	2.4
71.01337	0.8
83.37714	0.6
89.02390	1.4
93.17418	0.4
101.91194	0.5
109.02928	0.5
119.03514	0.5
124.01682	2.3
125.02470	4.7
169.12312	1.4
179.05647	0.5
185.06067	0.7
195.04565	0.8
197.05939	0.6
213.05511	0.9
213.11279	1.3
223.04062	0.5
224.04768	0.6
225.05518	1.3
240.04149	0.7
241.05072	8.4
242.05617	0.7
253.05095	4.2
269.04526	12.2
270.04837	0.9
283.09616	1.3
297.11298	1.4
298.11819	1.2
307.09821	0.7
311.09268	6.6
312.09875	0.7
325.10840	1.8
326.11591	100.0
327.08411	0.9
327.11951	8.3
341.13947	69.5
341.87848	0.5
342.14279	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1395
Annotation	Drypetenone C
Peak:m/z	Relative Intensity
59.01350	1.1
69.02473	3.5
69.02895	2.8
72.20823	0.6
73.02925	0.5
84.22951	0.5
108.02208	1.2
109.02943	6.5
112.96405	0.7
115.07702	0.6
119.89259	0.6
121.02985	0.8
123.04462	0.8
127.07600	0.8
131.76369	0.5
137.02412	0.7
142.34001	0.6
144.49884	0.7
147.04500	0.9
149.06123	1.0
151.11270	0.8
160.05296	2.3
161.06149	0.8
163.11263	0.8
169.08728	1.4
171.10286	3.0
173.06058	2.0
174.03218	1.6
174.06889	0.7
175.04045	3.1
175.07629	7.9
187.03987	1.8
188.04803	3.6
189.05559	2.3
199.04053	0.7
201.05530	3.5
202.06355	14.3
203.07059	7.6
213.11258	1.1
217.08560	0.8
226.06541	0.7
227.03531	5.1
227.12837	0.8
228.04016	0.9
239.03612	1.0
240.04158	1.0
241.05037	2.2
242.05403	0.6
253.05014	1.1
253.16328	3.9
254.06056	0.7
255.02933	1.3
255.10255	2.3
268.07297	1.0
269.04550	1.4
270.05209	1.0
283.09769	18.0
284.10150	2.1
293.08173	1.4
296.06934	2.4
297.11282	2.8
298.12122	3.1
308.10648	1.4
311.09247	29.4
312.09567	3.3
325.10788	4.5
326.11584	65.9
327.11975	6.9
341.13943	100.0
341.22949	2.5
342.14276	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76007	7.1
57.03445	9.3
59.01386	7.6
62.94432	6.2
71.01369	12.5
71.06934	11.7
85.02937	7.9
95.05027	18.6
99.08112	7.3
100.01627	7.0
107.05069	7.4
112.56604	6.7
113.09721	18.5
115.07670	14.7
121.02960	18.5
127.07656	18.3
137.29305	6.8
141.09126	6.3
151.07677	8.5
151.11311	16.7
160.79424	7.0
163.11275	7.9
169.08708	22.4
171.10280	100.0
185.11850	14.4
207.10289	10.9
213.11406	7.6
225.11267	15.4
225.46585	7.8
227.12859	20.0
253.16280	41.4
279.19595	12.5
311.09323	13.8
323.18832	7.6
326.11655	28.1
341.13995	41.0
341.18011	23.6
341.23428	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2123
Annotation	17-keto-4(Z),7(Z),10(Z),13(Z),15(E),19(Z)-Docosahexaenoic Acid
Peak:m/z	Relative Intensity
52.88300	1.7
53.43032	1.7
59.01369	2.2
61.98844	2.4
64.94462	1.6
69.62152	4.1
69.62543	4.0
71.01391	2.2
89.02451	2.2
98.21856	3.2
106.04239	12.0
107.05038	10.0
138.03209	4.8
150.03299	2.0
159.08212	3.7
179.05656	2.0
182.02135	5.6
297.22238	16.4
298.22308	2.6
326.82532	1.7
341.21219	100.0
342.21692	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.5
58.10163	1.7
59.01373	3.9
59.40398	1.8
69.03445	2.1
69.79971	1.5
70.91318	2.0
71.01373	2.2
83.05031	2.0
84.02174	2.9
94.42010	1.7
97.06596	6.8
107.34591	1.6
109.25795	1.5
125.09750	2.4
135.04501	3.3
137.09752	3.1
171.10286	9.1
193.12375	12.2
221.11642	1.8
225.14978	18.4
226.15434	1.9
243.16039	7.4
253.16335	14.5
283.09586	1.9
311.09088	2.4
326.11517	3.6
341.10452	2.4
341.14413	4.3
341.18356	3.8
341.23340	100.0
342.23624	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26418	0.6
57.03439	0.7
59.01386	1.0
69.03457	1.9
70.64601	0.9
70.64933	1.2
71.01402	0.7
74.40188	0.6
78.46503	0.6
81.03481	0.6
83.05048	1.2
84.02174	12.5
89.02456	0.7
97.02950	4.4
97.06609	8.7
99.04533	2.2
100.15513	0.6
115.61414	0.6
119.08669	1.4
125.09740	1.8
127.11332	0.6
137.09758	1.0
151.11258	0.8
171.10292	31.9
172.10594	1.5
175.11337	0.8
177.12872	0.8
183.13869	1.6
193.12369	10.6
211.13469	3.0
225.14977	18.9
226.15347	1.3
243.16023	7.2
253.04875	0.7
253.14096	0.8
253.16554	3.6
283.09860	1.5
291.19662	2.8
311.09250	3.0
323.22229	1.7
326.11551	3.5
327.12088	0.9
336.74588	0.7
341.14545	6.6
341.23340	100.0
342.23709	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2699
Annotation	MEDICA 16
Peak:m/z	Relative Intensity
53.59212	2.0
59.01382	4.7
70.79221	4.8
71.01382	3.2
89.02439	2.1
165.23174	2.0
279.26950	66.6
280.27228	5.1
323.25931	22.0
341.10538	2.7
341.26981	100.0
342.27454	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33119	2.9
54.24325	2.8
67.57193	3.0
69.40835	8.8
69.41226	4.4
98.21859	5.2
104.05076	10.8
110.87415	2.7
119.80347	2.9
121.02963	9.5
126.99584	88.1
131.03766	7.4
131.08675	8.2
135.00879	4.9
148.04060	9.5
150.33774	2.5
151.03183	11.8
152.69669	2.5
163.07661	17.2
165.04782	20.0
167.06331	52.6
167.48083	2.7
211.05322	100.0
212.05708	5.9
222.32697	2.8
315.08026	17.6
315.11252	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85297	11.5
59.01385	61.3
70.93148	22.0
71.01375	35.7
75.00864	16.9
85.02983	22.6
89.02441	37.7
101.02410	17.9
109.03013	12.9
119.05049	100.0
120.05386	72.0
121.02943	15.1
129.01907	13.3
133.02942	13.1
135.04546	83.7
136.04884	92.0
145.82855	12.0
158.85840	12.4
161.02353	21.0
162.02776	41.6
163.04013	62.4
164.04361	64.7
166.02719	27.1
178.04340	18.3
179.03539	60.8
180.03856	71.5
181.05135	69.2
195.05075	42.0
196.05463	31.3
247.86977	14.1
342.08966	37.4
343.10327	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	61.8
71.01385	43.6
75.00887	22.5
80.81878	10.7
85.02946	19.7
87.92747	11.0
88.62791	11.2
89.02474	22.8
93.03468	10.2
101.02458	23.8
119.05045	100.0
120.05359	39.5
121.02961	26.2
129.01968	15.8
129.63126	10.2
133.02959	10.9
135.04530	83.0
136.04848	70.2
162.02855	12.6
163.03996	64.3
164.04384	50.5
166.02672	11.0
179.03456	31.2
180.03888	66.8
181.05122	27.8
185.04704	11.9
195.05122	43.1
196.05489	30.6
227.74765	13.9
342.09433	15.9
343.10284	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52383	23.8
63.05097	19.6
71.31593	35.2
83.87395	28.2
134.73309	26.0
151.89963	23.4
155.39970	24.5
156.97357	23.9
239.21555	24.9
297.92026	30.3
342.20520	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65907	0.2
59.01382	100.0
60.01722	0.8
71.29131	0.2
81.68428	0.1
108.19632	0.2
113.04608	0.4
114.29967	0.1
115.02540	0.4
117.00449	0.2
157.03577	6.5
158.03735	0.5
159.01509	3.9
160.01686	0.2
173.30472	0.1
185.01109	0.2
187.01065	0.2
194.58759	0.1
199.98785	0.2
201.02560	99.7
202.02727	8.3
270.21744	0.1
343.03705	1.6
343.15656	0.2
344.03946	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54964	0.5
59.01383	92.3
60.01722	0.9
61.98830	0.6
65.18295	0.5
69.45097	2.6
71.01385	1.5
85.02943	0.6
89.02463	1.4
93.03470	0.6
98.22481	1.0
101.02466	1.4
109.79380	0.5
113.02477	0.9
115.02509	0.6
119.03473	0.7
119.05041	0.9
125.02473	1.0
138.05620	0.9
143.03516	0.9
156.08928	0.5
157.03571	7.5
159.01491	2.8
163.04007	1.1
164.03563	2.0
181.05098	1.8
191.05650	0.5
201.02565	100.0
202.02736	9.1
281.10419	0.8
343.03741	1.3
343.10730	0.7
344.09933	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0825
Annotation	(-)-Usnic acid
Peak:m/z	Relative Intensity
50.98183	1.9
51.93605	2.1
54.98629	1.8
59.01373	1.9
69.11935	19.5
81.88771	1.9
83.01389	82.1
83.67528	1.6
187.07645	2.6
189.05539	7.9
203.07059	2.5
213.05577	2.7
215.03487	6.2
229.05066	3.6
231.06638	45.6
232.06955	2.6
241.05144	3.4
255.06703	5.5
255.94887	1.9
257.04587	3.7
259.06122	46.9
260.06558	3.2
269.04684	4.7
285.04013	3.1
286.04614	2.6
299.09293	11.3
301.07175	4.8
313.03513	31.9
314.03757	3.1
328.05899	92.2
329.06146	8.7
343.08240	100.0
344.08487	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.6
65.00320	0.7
67.01882	1.6
69.03445	1.0
69.33849	3.2
69.34251	1.3
71.01386	4.0
73.02926	1.9
81.03462	2.1
83.01375	1.9
85.02943	2.1
87.00887	2.7
89.02426	0.6
95.01403	3.1
98.21857	1.2
101.02393	1.5
107.01386	1.1
108.02167	2.7
109.02959	1.7
111.00904	1.7
112.98835	0.8
113.02435	0.7
123.00891	30.4
124.01659	0.7
125.02454	1.4
125.99604	0.7
127.00362	1.4
130.08708	1.1
136.98802	1.9
137.02464	7.1
138.03239	31.9
139.00389	2.8
139.03548	1.6
141.01918	0.9
153.01964	0.8
153.05582	25.8
154.05963	1.5
155.03529	1.6
161.06085	1.0
165.01958	1.1
166.06294	0.7
166.99861	8.8
180.04324	0.9
181.01544	0.6
181.05067	0.8
181.08676	3.0
182.00604	1.4
182.02223	29.2
183.02472	1.4
196.03766	0.6
197.04561	100.0
198.04906	4.8
223.47305	0.7
343.10291	7.4
343.14136	2.3
344.10852	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	44.1
68.99754	9.9
69.00168	1.9
71.01388	22.8
72.99294	2.3
83.01399	1.7
85.02948	4.6
89.02457	20.6
93.03456	1.6
98.22635	2.0
98.82879	1.1
101.02453	11.4
107.63904	1.1
113.02446	6.3
119.03517	7.4
119.05038	97.9
120.05371	4.0
163.04027	100.0
164.04399	5.6
176.10963	1.1
181.05093	3.5
211.09254	1.2
275.44437	1.2
343.10333	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1035
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
59.01382	9.7
70.50623	0.9
74.49203	0.4
75.31561	0.3
107.05009	0.4
109.02969	4.9
109.06603	3.1
119.05049	2.8
121.02958	4.2
122.03728	0.9
135.04543	3.8
137.02534	0.5
137.06096	22.2
138.03235	0.6
138.06400	0.7
163.07617	0.4
165.01909	1.1
165.05463	0.5
166.02725	31.3
167.03099	1.1
180.07970	0.6
181.05077	100.0
182.05394	5.9
185.09917	0.4
197.04579	1.0
225.37202	0.4
235.23058	0.3
240.96695	0.4
322.32956	0.3
343.10330	9.4
344.10635	0.7
366.20731	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70343	2.6
55.01880	3.1
57.03442	4.3
59.01385	87.1
69.23969	8.3
69.24391	11.3
69.26842	2.6
71.01392	29.5
72.99315	3.5
73.02945	9.2
83.01408	5.1
85.02956	13.1
87.40710	3.0
88.86672	2.6
89.02444	5.7
98.21810	5.6
99.00878	3.8
101.02447	29.7
108.02200	4.3
109.02953	18.4
113.02459	8.6
117.97582	2.6
119.03511	3.2
121.02968	100.0
121.76385	3.0
122.03744	5.2
135.04552	8.1
136.05287	6.9
137.06131	4.1
155.10791	8.4
161.04553	4.6
166.06378	30.8
167.07170	4.6
179.32649	2.8
180.04314	12.0
181.08723	45.9
199.09836	3.3
223.09703	3.7
226.06416	8.8
227.07195	11.1
255.10278	53.8
256.10681	5.2
343.10263	3.8
343.14041	52.9
344.14496	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.9
59.18784	0.8
67.77122	0.7
69.00987	7.8
71.83566	0.7
73.02969	1.2
85.02928	1.3
90.19989	0.9
93.03490	4.9
98.21747	2.3
108.02182	1.6
109.02956	2.2
121.02966	39.2
123.04547	2.5
135.04489	1.8
147.04529	7.6
161.06119	0.8
162.06845	1.6
171.08127	0.9
171.10297	7.5
175.07671	1.3
194.05928	1.2
196.05325	1.3
197.06042	1.1
199.07632	2.4
209.06129	3.8
210.06749	1.0
211.03990	1.6
211.07645	1.7
212.04797	3.1
213.05565	2.0
217.76793	0.8
223.04051	1.2
224.08293	0.9
225.05574	3.2
225.09155	1.0
226.06299	2.4
227.07156	5.6
229.14578	1.0
237.05592	5.6
238.06406	1.7
239.07129	1.0
240.04263	4.4
240.07982	0.8
241.05112	3.9
241.08713	4.0
251.07162	2.6
252.07846	1.7
253.05042	3.3
254.05864	8.9
255.06636	23.2
256.07156	2.4
267.06573	2.9
268.07410	14.1
269.08200	47.9
270.08658	5.0
282.08920	1.2
283.09781	21.6
284.10443	8.9
285.10840	0.9
298.08392	2.2
299.12881	2.7
310.08578	1.0
311.09283	34.5
312.09692	4.0
313.10706	3.8
325.20007	0.9
327.08466	1.4
328.09506	14.4
328.12933	1.4
329.09818	2.3
343.11874	100.0
343.20880	8.7
344.05548	1.5
344.12262	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.0
58.00608	2.1
59.01383	100.0
69.77604	3.3
69.77998	2.8
71.01387	61.9
72.73787	1.4
72.99315	4.5
73.02940	4.4
83.01394	4.9
85.02956	13.8
87.00863	1.8
89.02450	63.8
90.02766	2.4
95.01395	4.1
96.96047	1.8
101.02445	34.1
108.02179	1.9
113.02460	24.8
119.03522	30.6
131.03438	1.6
143.03447	2.7
149.04585	1.9
161.04510	3.4
163.07657	18.1
179.05576	4.4
181.08722	7.2
189.96629	1.7
200.21370	1.5
223.06142	2.5
255.10719	2.1
259.91666	1.8
261.24054	1.6
343.14069	13.5
344.14111	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1401
Annotation	Taxuside
Peak:m/z	Relative Intensity
59.01383	100.0
60.01704	1.1
69.44441	2.6
69.44853	5.6
71.01396	5.1
73.02943	1.4
83.01357	1.0
85.02983	2.6
96.49735	1.0
96.95995	1.3
101.02453	3.5
113.02470	2.2
115.63512	1.3
123.04475	1.3
137.09721	1.8
150.03256	1.1
161.04567	2.4
181.08728	5.1
239.07054	1.4
283.06241	1.4
283.11823	1.9
325.07126	4.6
326.07510	1.3
343.08325	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49006	0.2
54.01581	0.2
59.01385	0.5
66.50604	0.2
69.58850	0.6
69.59256	0.6
84.34303	0.2
86.80422	0.2
108.02165	0.5
109.02985	0.3
111.04517	0.4
119.05087	0.3
122.03756	8.8
123.04070	0.3
124.01685	0.5
135.04535	0.3
137.02437	0.7
137.06116	1.6
154.02777	0.9
163.07649	0.4
166.06172	0.3
181.08725	100.0
182.09052	5.9
343.13962	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.2
71.01391	1.2
72.75079	0.2
74.02458	0.4
74.58057	0.2
75.00836	0.2
85.02949	0.5
87.00871	0.3
89.02454	0.6
93.03466	0.3
96.96009	0.3
97.94148	0.2
101.02445	0.6
106.66497	0.2
108.02174	1.0
109.02968	0.5
111.04545	0.4
113.02478	0.4
119.04999	0.2
121.02944	0.4
122.03748	8.5
124.01656	0.7
130.08727	0.3
135.04514	1.3
136.01712	0.3
136.04861	0.4
137.02448	1.7
137.05185	0.3
137.06049	1.0
148.05344	0.9
151.89861	0.2
153.01923	0.2
154.02704	1.3
161.04594	0.4
163.04016	0.2
163.07660	0.8
166.06404	0.4
171.53247	0.2
174.06454	0.2
179.03520	0.6
181.08717	100.0
182.09039	5.8
182.10703	0.2
197.04575	0.3
255.10283	0.8
281.13779	0.2
303.07806	0.2
309.14441	0.2
343.09000	0.3
343.13950	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.66243	0.9
69.25055	4.3
71.01394	4.7
89.02448	4.9
98.21754	1.3
101.02458	1.6
102.37189	1.0
113.02457	1.3
116.80000	1.0
119.03534	1.7
134.93045	1.1
137.09766	1.3
301.52048	0.9
343.08188	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1549
Annotation	Laxiflorin J
Peak:m/z	Relative Intensity
56.36125	0.2
59.01408	0.4
69.00361	1.5
69.00780	0.8
69.03474	0.4
71.05062	0.3
77.12276	0.2
83.88188	0.2
93.03461	2.8
95.05071	0.5
97.06643	0.3
106.04325	0.2
108.02169	1.1
109.02962	5.8
110.03297	0.3
113.78077	0.2
121.02963	24.8
122.03767	12.4
123.04541	7.7
124.01667	1.2
124.04874	0.3
134.03796	0.5
135.04527	5.0
136.01685	0.4
136.05284	1.3
136.35167	0.2
137.02448	2.9
145.06577	0.3
146.03816	0.3
147.04523	1.8
148.05357	0.7
149.06087	1.8
153.01955	0.2
154.02725	2.2
159.04565	0.3
160.05345	0.4
161.06094	6.6
161.29933	0.2
162.03284	0.3
162.06557	0.4
163.04022	4.8
163.07692	0.8
165.05553	0.4
168.04385	0.3
171.10275	1.4
173.06085	1.5
177.05635	0.9
182.04608	0.6
187.07765	0.2
189.05621	2.0
190.06374	3.7
191.07150	8.7
192.07492	0.4
203.07159	1.6
205.08736	0.3
211.13344	0.2
212.04778	0.2
225.05609	0.5
226.06326	0.3
227.07126	0.3
239.07150	0.6
240.07906	0.7
241.04910	0.5
241.08694	0.4
253.08810	0.2
254.05827	0.5
255.06667	1.3
267.06577	0.3
268.07352	1.0
269.08179	2.1
270.08508	0.3
272.07123	0.3
283.09787	1.7
284.10547	0.4
297.11450	0.2
298.08719	0.2
298.12061	0.5
299.12881	2.9
300.13269	0.4
310.11938	0.3
311.09341	1.6
311.12762	0.4
313.10812	4.8
314.11145	0.5
315.16016	0.4
327.12329	1.5
328.13171	38.8
329.13477	4.0
343.12143	5.6
343.15509	100.0
344.12558	0.5
344.15851	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06356	0.7
59.01377	2.1
59.22033	0.6
61.98831	1.0
67.01893	1.8
68.99799	1.0
71.30934	1.2
80.16837	0.7
81.03507	0.7
83.01389	1.7
95.01392	2.9
108.02187	4.2
109.02963	14.6
111.00902	5.2
119.08650	1.0
121.02979	1.5
122.03786	1.1
123.00909	22.0
123.04498	1.2
124.01695	14.5
125.57894	0.8
126.58219	0.7
131.08804	1.0
133.06638	1.5
134.03758	3.1
135.40335	0.7
136.01674	89.7
137.02478	15.5
138.03227	1.2
139.00371	0.9
146.03720	1.3
147.04532	0.8
148.05315	4.3
149.06094	9.9
151.04021	100.0
152.04379	4.0
157.18617	0.7
160.05290	3.8
161.06084	3.1
163.04034	2.5
163.07655	3.2
164.04811	3.3
165.05585	25.8
166.05875	1.1
173.06139	1.9
174.06612	0.8
174.99240	2.5
175.07655	15.7
176.08418	4.8
177.09232	1.0
179.07127	2.6
187.07626	0.9
191.07143	10.8
203.07146	3.4
242.02205	0.9
277.08347	0.9
280.07474	1.5
295.09863	3.8
296.10263	1.0
310.11990	4.9
313.10907	2.1
325.14536	6.1
326.14667	1.3
327.12531	0.9
328.13190	27.5
329.13443	2.7
343.15512	93.7
344.05368	1.0
344.15826	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1554
Annotation	Laxiflorin J
Peak:m/z	Relative Intensity
51.45204	0.4
59.01380	0.7
69.17454	3.5
81.03473	0.5
83.04998	0.5
107.35004	0.4
109.02959	13.8
121.02931	1.2
122.03763	0.6
124.01665	0.7
135.04539	0.8
137.02455	100.0
138.02895	4.2
144.92851	0.4
145.31889	0.4
146.03745	0.4
149.06091	2.5
150.03224	0.5
150.49670	0.4
151.04010	0.5
152.04736	0.4
153.05550	0.8
163.07692	0.6
165.05594	1.0
166.06285	0.5
171.10312	0.5
283.22900	1.1
299.20242	0.6
300.13614	0.6
301.84225	0.4
328.13181	51.6
329.13477	5.7
343.15527	55.0
344.15897	6.1
344.25381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1552
Annotation	Laxiflorin J
Peak:m/z	Relative Intensity
56.39180	0.7
59.01371	1.1
70.36475	1.7
70.36803	1.3
71.18447	0.9
71.29768	0.7
71.81773	0.7
80.35223	0.6
87.40871	0.7
93.03465	2.4
108.02187	1.5
109.02977	6.2
110.96844	0.6
121.02961	26.5
122.03754	10.9
123.04533	6.9
124.01710	1.4
134.03690	0.8
135.04517	2.9
136.05334	1.2
137.02444	2.5
149.06108	1.8
154.02733	2.9
161.06084	7.2
162.06561	0.8
163.04030	4.9
173.06105	1.6
177.05556	0.9
189.05525	1.4
190.06313	3.4
191.07152	7.5
203.07153	0.8
205.08890	0.8
209.11903	1.4
299.12991	2.4
313.10785	5.6
327.12424	1.2
328.13174	42.5
329.13513	3.0
343.15506	100.0
344.15857	10.8
361.75479	0.7
367.07129	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1552
Annotation	Laxiflorin J
Peak:m/z	Relative Intensity
58.80596	1.8
59.01375	3.3
61.98820	2.0
80.46988	1.7
89.54594	2.0
98.21799	3.7
100.49348	1.7
108.76612	1.7
109.02869	2.0
123.00851	2.4
124.01640	4.2
125.02461	32.0
139.03955	3.3
139.11301	5.2
171.10304	8.5
173.06154	2.2
187.07635	2.5
198.87183	1.8
211.04041	7.6
213.05542	2.5
229.05211	2.1
239.03479	7.6
257.04553	17.4
258.04938	2.0
265.04999	5.2
267.10294	5.7
269.11725	2.9
271.06241	3.5
280.07535	5.8
295.09818	19.9
310.12228	3.4
313.10876	19.7
327.12125	2.5
328.13171	89.0
329.13461	12.7
343.15536	100.0
343.24829	20.8
344.15918	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1553
Annotation	Laxiflorin J
Peak:m/z	Relative Intensity
53.31334	1.1
59.01356	1.7
59.06550	1.2
63.20549	1.5
70.66035	4.1
81.03460	2.1
93.40880	1.3
107.95713	1.4
108.02164	7.8
109.02964	35.8
121.02957	4.5
122.03759	3.1
123.00916	3.2
123.04549	8.3
124.01657	12.2
128.99249	1.7
135.04543	16.0
136.01668	3.3
137.02444	33.1
137.06079	2.7
138.03241	54.3
139.04037	19.6
147.08203	1.3
148.05309	14.4
149.06090	21.0
150.03310	2.3
151.04028	9.0
152.04810	7.3
153.05588	27.3
161.06065	1.7
163.04034	3.7
163.07680	13.3
164.04826	12.3
170.02203	10.4
173.06007	1.5
175.07620	4.6
177.05655	1.9
178.06328	2.0
179.07217	2.9
180.04388	1.6
184.03772	2.9
188.08496	1.9
190.06380	1.9
191.07129	3.2
192.07867	5.1
203.10805	1.3
206.05754	1.9
285.11401	3.6
300.13727	2.0
301.14511	2.9
311.12881	2.5
315.16043	15.7
328.13187	5.5
329.13934	22.1
343.15518	100.0
344.16061	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1914
Annotation	Stizophyllin
Peak:m/z	Relative Intensity
54.42561	0.7
59.01368	1.0
69.03461	10.4
71.05032	5.2
73.02988	0.7
81.03451	4.9
83.05032	1.6
84.02190	1.7
93.03448	1.0
97.02961	7.1
98.03742	10.7
99.04530	37.8
100.04881	1.4
109.02976	1.4
109.06611	1.8
123.04498	1.1
124.01660	0.9
125.09738	3.2
128.40030	0.7
135.04523	1.1
137.02448	2.3
137.06081	2.1
137.25966	0.7
138.03252	4.0
138.06845	0.9
139.04004	1.0
153.05576	2.4
159.08153	1.9
159.51523	0.9
161.09741	3.1
163.07599	1.0
171.10298	2.6
173.09729	1.5
175.11327	1.5
177.12843	1.8
191.07190	1.1
205.12341	2.2
243.13863	1.1
243.17459	1.8
255.17619	2.5
271.20685	12.8
272.20847	1.5
281.19217	4.5
283.16904	0.9
299.20172	100.0
300.20569	10.1
301.14215	0.9
325.18091	1.5
329.14011	2.5
343.15430	7.3
343.19174	44.6
343.24829	6.6
344.16080	1.7
344.19482	4.4
344.25397	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21862	0.8
69.03452	10.1
71.05012	4.9
81.03467	5.7
84.02132	1.1
95.05017	1.3
96.94250	0.9
97.02954	6.7
98.03735	9.1
98.21772	2.4
99.04526	38.7
100.04875	0.8
107.05089	1.1
109.06567	2.8
111.04567	0.9
121.06601	1.2
137.06055	1.2
138.06859	2.5
147.08115	1.1
159.08139	1.2
161.09721	2.3
173.09706	1.2
176.15959	0.8
177.12808	1.2
205.12311	2.4
215.14398	0.9
228.77702	1.0
243.17590	2.7
255.17392	1.9
269.19095	1.2
271.20663	12.3
272.21005	1.1
281.19055	3.8
283.60556	1.0
299.20175	100.0
300.20554	10.6
322.56485	1.0
325.18201	1.8
343.15851	1.9
343.19131	44.4
344.19513	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1916
Annotation	Thc-11-oic acid
Peak:m/z	Relative Intensity
55.01853	0.5
57.03441	0.5
59.01365	0.8
64.54887	0.4
64.93874	0.4
69.03098	0.7
69.03461	11.2
69.12901	2.5
69.13332	1.5
71.05029	4.8
73.02955	0.4
81.03474	4.7
83.05029	1.0
84.02167	1.2
93.03445	0.7
95.05029	0.5
97.02963	7.5
97.06570	0.5
98.03754	9.4
99.04532	36.5
99.08145	1.2
100.04856	1.1
107.05046	1.1
108.02155	0.5
109.02979	0.9
109.06581	2.3
111.04483	0.4
121.06593	1.0
123.00885	1.5
124.01653	1.0
135.02330	0.4
135.04514	0.5
137.02469	0.4
137.06126	2.0
138.06963	0.9
139.11325	3.1
149.06067	0.9
151.04048	0.4
153.01944	0.4
159.08142	1.7
161.09715	1.4
163.07730	0.4
165.05565	1.7
171.10281	4.7
173.09785	0.8
175.11259	0.6
177.12834	0.9
178.79471	0.5
185.09671	0.6
187.11252	0.6
193.12402	1.5
201.13013	0.4
203.10776	0.6
205.12393	1.9
211.13412	2.0
215.14459	0.7
225.12909	0.6
225.14914	2.0
231.13832	0.5
239.14366	0.5
243.13808	0.8
243.17897	1.8
243.62535	0.4
253.16101	0.7
255.17468	2.2
257.04559	1.1
259.17874	0.4
269.19028	1.2
271.20700	12.0
272.21042	1.1
281.19183	4.0
295.52054	0.5
297.18701	0.5
299.20187	100.0
300.20520	11.2
325.18091	1.9
326.18539	0.5
328.13208	1.9
343.15524	5.5
343.19196	42.1
343.24902	14.6
344.15894	0.5
344.19537	4.7
344.25281	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2281
Annotation	17-keto-7(Z),10(Z),13(Z),15(E),19(Z)-Docosapentaenoic Acid
Peak:m/z	Relative Intensity
50.28518	0.6
51.09707	0.7
51.34349	0.6
51.73249	0.6
54.53632	0.7
57.03441	2.9
59.01395	3.7
60.56911	0.8
60.83200	0.6
61.98839	0.8
62.28554	0.6
71.32147	1.1
88.55225	0.7
89.16624	0.7
109.02949	1.4
135.08147	1.3
137.02475	1.7
138.03238	2.1
153.05518	0.8
173.77708	0.8
187.71808	0.7
212.09816	0.7
271.20584	1.4
299.20401	0.7
325.21609	1.5
329.14084	0.9
343.15683	4.2
343.22775	100.0
344.16190	1.6
344.23145	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2491
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
50.02807	0.7
57.03452	1.0
58.00599	1.5
68.97230	0.7
83.05079	0.8
83.59824	0.6
90.40372	0.7
99.04525	0.9
121.10255	1.7
125.09733	5.4
127.11304	9.4
137.09732	1.6
139.11304	7.2
141.69412	0.7
151.11290	1.1
155.10793	3.9
165.09258	3.7
171.10287	24.1
183.10313	1.3
185.11888	0.8
196.28638	0.8
199.09796	2.7
201.11337	52.8
202.11681	2.3
275.20154	4.2
293.21243	3.2
299.20142	1.2
300.36063	0.8
301.98071	0.7
308.93381	0.7
311.22244	5.8
325.23709	0.9
343.24911	100.0
344.25253	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2492
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
52.78687	0.6
56.31403	0.5
62.35055	0.6
64.03181	0.6
69.03446	1.1
70.58089	1.6
77.81970	0.6
82.79950	0.6
83.05029	1.0
97.06598	0.8
99.08155	4.7
103.93055	0.7
121.10245	5.7
125.09721	1.8
127.11283	2.4
135.73654	0.7
137.09741	1.6
139.11342	0.8
150.90933	0.6
165.09265	0.8
165.12729	0.7
165.46774	0.7
171.10291	39.4
172.10596	2.3
193.12320	9.5
211.13434	2.7
225.14964	11.6
226.15315	1.2
229.09860	0.6
243.15948	5.1
261.94205	0.6
283.09714	0.7
293.21246	3.3
311.22620	0.8
325.23776	0.9
343.24902	100.0
344.25204	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2491
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03433	0.9
57.76044	0.7
69.03452	2.2
81.03453	1.0
83.05031	1.0
96.60007	0.8
97.02978	0.7
98.03761	1.1
98.21790	1.5
99.04539	5.3
99.08153	2.2
106.86051	0.7
121.06554	0.7
121.10234	8.5
127.11311	2.2
136.01682	0.9
137.09814	1.5
139.11305	1.5
165.09157	1.0
165.12727	0.8
171.10286	48.6
172.10616	1.9
175.11298	0.7
193.12325	5.1
195.08109	0.7
225.14966	7.3
228.79170	1.0
243.15988	2.0
246.06349	0.7
271.20596	2.1
293.21161	2.6
299.20187	14.9
300.20392	1.9
316.28485	0.7
338.60501	0.8
343.19678	4.2
343.24902	100.0
344.25272	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19237	0.7
59.01371	1.6
69.09277	5.5
69.09701	2.2
99.04504	1.0
121.10246	9.5
122.10560	0.9
125.09688	2.4
127.11332	1.3
136.01654	1.0
137.09708	2.9
139.11305	7.1
149.74513	0.9
151.04012	1.9
155.51428	0.8
159.07011	0.8
165.09158	1.3
171.10281	71.6
172.10637	2.2
211.13383	1.5
219.54027	0.8
271.20941	0.9
293.21310	1.4
299.19946	4.2
300.20679	1.1
311.22318	1.1
343.24921	100.0
344.25229	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2855
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
53.92950	0.6
59.01386	100.0
60.01704	0.8
69.03477	0.8
71.30434	0.6
71.30840	0.9
75.10160	0.5
78.87397	0.6
82.16041	0.8
85.06612	2.0
108.02180	0.7
109.02995	3.0
123.00852	0.8
123.04532	1.2
124.01670	1.2
135.04530	1.0
137.02452	3.0
138.03246	3.6
139.04019	1.3
148.05370	1.2
149.06091	1.3
153.05548	1.9
162.34959	0.7
163.07605	0.8
164.04865	0.7
165.89082	0.6
197.19110	0.9
223.20729	0.7
225.18607	1.0
229.02005	0.6
248.30074	0.8
281.24905	1.0
283.26401	8.3
284.26776	1.0
285.11365	0.7
315.15906	1.1
328.13083	1.0
329.13913	2.6
343.15485	10.5
343.28546	76.1
344.16074	2.6
344.28897	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47456	100.0
107.32193	13.8
143.12944	14.6
223.76997	19.4
262.66455	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01287	13.5
62.38587	14.6
70.99657	39.8
72.99320	31.1
83.59124	14.2
108.61682	13.7
110.64977	15.2
195.46684	14.1
223.11119	15.7
241.91507	13.6
344.22150	100.0
344.28870	75.3
345.31723	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
59.01382	20.9
61.98826	1.5
68.01410	0.6
71.01373	2.0
71.05026	9.6
74.99390	0.5
78.95905	2.3
81.03433	0.5
83.01385	1.9
85.02946	0.8
89.02443	0.6
93.03436	0.8
95.01411	0.6
95.05008	2.5
97.02955	13.8
99.00935	0.4
101.02444	0.7
103.92033	0.8
109.02958	0.5
109.81585	0.4
111.02010	4.9
112.04086	0.6
119.29507	0.5
121.02970	0.6
122.03795	0.5
123.00921	1.2
123.04534	9.4
124.01675	1.5
125.02449	1.5
126.74171	0.4
128.03621	0.6
134.04729	0.6
135.04539	0.7
137.02455	1.2
138.03178	0.7
139.04024	100.0
140.04346	4.5
149.02437	0.6
151.04068	0.6
151.05121	2.3
159.01486	1.1
160.97849	0.7
161.04601	0.7
163.04012	3.7
165.01871	0.6
165.05573	7.2
166.05110	1.6
166.99846	1.4
177.02068	0.5
181.05025	0.8
182.08186	0.5
183.03036	2.6
183.06631	3.6
187.01025	0.9
191.05682	0.9
201.02530	6.1
201.04071	0.6
202.02768	1.5
202.92773	0.9
202.98778	2.6
203.02281	4.9
207.02975	1.1
210.46696	0.5
211.00177	2.4
213.05186	9.5
290.97232	0.5
345.08313	7.7
346.12216	0.6
346.16171	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1093
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
51.16067	0.9
59.01387	15.6
65.03708	0.9
68.99818	1.1
71.01395	8.5
72.99313	1.0
73.02948	1.8
84.04549	1.3
85.02949	4.1
87.00892	1.4
89.02470	5.3
90.48028	0.9
93.03481	2.9
94.02996	1.4
95.03784	3.2
96.08169	1.4
101.02460	3.4
104.05066	2.3
106.06633	5.1
113.02446	2.5
119.03536	3.0
120.99663	2.6
121.10212	2.7
122.06133	2.4
124.07703	9.2
132.04567	37.3
133.04396	1.7
133.05353	21.2
134.06165	5.1
148.04060	1.5
150.05614	1.2
160.05212	1.0
165.04329	27.5
165.09212	2.1
173.04573	3.0
177.04311	3.2
178.05133	2.4
183.10268	30.5
184.07645	1.9
186.09241	4.1
187.08781	1.5
191.05605	11.7
197.09747	2.0
209.03329	6.7
213.06680	2.9
214.12381	7.3
215.11819	6.2
229.09828	3.3
231.03145	0.9
239.07167	1.7
241.09961	2.2
256.58978	1.1
257.12979	23.7
258.13373	2.3
259.07175	2.3
267.06671	6.4
282.08945	5.0
283.10919	8.1
297.11380	5.9
301.11972	19.0
302.12112	2.3
327.09650	1.3
345.10922	100.0
345.15369	8.7
346.11240	9.5
346.15622	2.0
367.73715	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31320	2.8
53.63844	2.7
58.00617	3.6
59.01101	4.4
59.01385	75.5
63.97074	2.7
65.03955	7.1
69.46629	15.3
71.01390	38.0
72.99313	3.3
79.10959	2.6
80.02681	13.3
85.02953	7.6
87.00869	3.7
89.02449	36.2
93.07098	6.1
101.02443	20.2
103.05549	83.9
104.04522	3.0
104.05855	4.4
106.04253	40.4
109.06583	3.3
113.02468	15.1
119.03509	12.5
119.05026	12.8
121.03039	3.1
121.06611	100.0
122.06909	6.1
135.82701	2.5
139.03961	3.2
139.07629	4.5
139.54301	2.6
165.05573	70.1
166.05939	3.2
168.00659	3.7
183.02994	10.0
202.79024	2.8
254.71814	2.6
304.00333	2.8
345.11996	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27311	1.9
55.01873	1.8
59.01381	68.6
70.21432	3.9
71.01382	22.2
71.05025	10.3
73.02940	4.3
74.68969	1.9
83.01388	5.2
85.02950	7.5
87.00922	2.5
89.02454	9.5
93.03439	3.7
95.05039	3.4
96.96019	1.7
97.02966	14.2
101.02441	10.5
108.02172	6.3
113.02445	7.4
119.03459	3.1
120.99678	2.9
123.04501	6.0
137.02393	2.0
139.04021	100.0
139.07675	2.0
140.04390	3.4
149.02481	5.4
149.86818	2.1
161.04578	9.3
161.09709	3.1
163.04033	2.1
165.09178	2.2
166.95113	1.8
183.02933	3.3
183.10281	7.1
191.05652	12.9
231.43192	1.8
236.61510	1.8
311.58737	1.8
345.09692	3.6
345.15326	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79327	1.7
55.01891	2.2
57.03453	2.2
59.01385	78.5
71.01393	24.5
71.05030	11.0
71.27139	1.5
71.27547	1.5
72.99322	2.4
73.02953	3.3
79.65627	1.5
83.01392	5.1
83.05044	2.0
85.02956	9.3
87.00907	1.9
88.42674	1.7
89.02445	8.6
93.03462	3.4
95.05054	2.3
95.73518	1.4
97.02960	14.9
99.00917	2.0
101.02457	14.0
108.02200	5.7
113.02473	8.3
119.02650	1.3
119.03543	3.7
120.99662	3.6
121.03053	1.4
123.04548	6.5
135.04491	2.3
139.04027	100.0
139.07610	3.4
140.04373	4.1
149.02472	3.0
151.04109	1.7
161.04572	8.8
163.04062	4.1
163.07628	3.3
165.09283	2.1
173.04581	1.8
179.05731	2.0
183.06635	3.2
183.10292	5.0
191.05602	9.2
241.14525	1.8
302.36520	1.7
345.09241	5.8
345.15561	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56853	3.1
57.03437	3.8
59.01381	29.0
69.08875	29.3
71.01379	15.3
82.33628	3.4
83.05038	4.2
85.02932	5.1
95.05062	5.3
97.02950	16.9
97.06612	4.3
99.92568	4.7
103.46757	3.2
105.07118	4.3
107.04988	4.0
108.05830	12.6
108.83482	3.3
109.02946	8.4
111.04533	12.7
113.06084	11.3
119.08698	3.8
120.29102	3.1
122.03755	13.5
123.04556	5.9
123.08142	12.4
125.06086	13.1
136.05324	18.8
137.06067	11.5
138.06882	22.7
139.07669	36.7
142.62263	3.1
148.05276	6.1
151.04068	3.3
151.07663	90.5
152.04781	7.9
152.08458	42.0
153.09262	17.6
159.11847	5.3
161.06090	3.5
161.09729	5.4
163.07614	5.3
171.10287	3.5
177.09158	5.0
178.10007	21.0
185.09720	4.3
189.09251	4.7
201.12883	27.0
203.10805	22.8
204.11545	46.5
215.10762	7.3
217.12289	7.9
219.13899	68.5
220.14345	6.7
262.91861	3.3
263.12930	47.7
267.10117	28.7
273.09518	4.8
277.12936	3.6
280.51712	3.6
285.08087	6.5
285.11118	100.0
286.11490	8.4
289.80273	3.3
301.13385	5.5
303.11819	4.5
327.10757	4.0
345.12384	31.8
345.22778	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1345
Annotation	Magnolianone
Peak:m/z	Relative Intensity
52.90628	0.3
55.01876	0.8
57.03471	1.2
58.00599	0.4
59.01385	10.8
62.52409	0.4
69.60445	1.7
69.60856	0.7
71.01388	14.2
71.05038	0.5
72.99326	0.9
73.02954	2.6
77.03988	1.1
81.03461	0.4
83.01411	1.5
85.02955	5.2
87.00896	1.4
89.02456	7.7
93.03478	5.0
95.01381	2.0
95.05030	2.6
96.53339	0.4
96.96017	0.8
97.02975	0.6
98.21722	0.4
99.00901	1.3
101.02449	8.9
105.03441	0.9
109.02957	1.2
109.06608	2.2
113.02455	5.9
118.45896	0.4
119.03487	2.2
121.02974	11.5
122.03336	0.4
123.04559	1.2
125.02466	1.1
125.06060	0.5
127.86205	0.4
132.02191	0.9
134.03784	1.8
135.04532	9.9
136.01648	0.7
137.02470	0.8
139.04013	1.1
143.03531	0.8
148.01677	1.1
149.02451	100.0
149.06097	1.7
150.02768	4.4
151.03958	0.5
153.01953	6.3
153.05592	0.6
159.02982	0.7
161.02486	0.6
161.04536	4.4
163.04054	0.7
164.04805	16.8
164.06178	0.8
165.01886	0.7
165.05202	1.1
168.04286	5.8
169.98596	0.5
173.04553	1.4
175.41188	0.4
179.05629	1.0
183.06660	3.6
183.08907	0.4
183.10123	2.0
191.05627	6.6
192.05928	0.5
194.07260	0.5
199.05058	0.5
206.83490	0.4
213.05580	0.4
225.05540	0.5
226.06427	0.4
227.07037	0.9
235.08218	0.7
239.07152	0.5
241.05096	1.4
242.05811	0.6
253.04999	1.2
256.07541	2.6
257.08136	0.6
267.06500	0.5
270.05258	1.0
271.09738	2.5
282.08908	0.7
285.07742	7.0
286.08221	1.2
287.09204	0.5
297.10999	0.5
299.09305	0.8
301.10703	0.8
330.11105	22.2
331.11298	2.6
345.09641	2.3
345.13394	49.9
346.09650	0.6
346.13718	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18997	0.6
55.94709	0.5
57.03531	0.9
58.00671	0.8
59.01144	2.8
59.01477	14.4
61.08977	0.6
71.01068	1.3
71.01491	11.4
73.03060	2.0
83.01479	0.8
85.03082	4.2
89.02577	8.4
95.01504	1.1
96.96149	1.1
97.03092	0.6
98.21777	1.3
99.00971	1.1
101.02580	7.7
108.02328	2.1
109.02966	11.9
113.02456	5.6
119.03485	3.7
120.99709	0.9
121.03093	3.0
121.10400	2.5
123.04662	1.2
124.07795	1.1
131.03510	0.6
132.04529	4.1
133.05441	1.5
134.06380	0.7
135.04625	1.8
135.39659	0.7
136.01680	11.4
137.02542	1.1
139.11351	1.0
145.03055	1.3
146.03850	0.9
151.04028	9.2
159.04648	1.4
160.05408	1.9
161.04739	2.3
163.04100	0.8
165.04454	2.8
165.09383	2.4
167.07295	1.3
173.06187	0.8
175.07780	0.7
177.05649	0.8
179.07228	1.0
179.34158	0.7
183.10268	20.4
184.10695	1.1
192.07889	0.8
195.08237	1.2
196.05440	0.9
199.07674	0.6
211.07669	4.9
215.12073	0.9
221.06137	3.4
222.06880	1.8
223.07709	2.6
224.04877	1.1
225.05690	1.0
237.05588	5.6
238.06351	2.2
239.07135	18.0
239.09431	1.0
240.07373	1.4
241.05078	0.8
243.12531	0.9
249.05621	4.5
250.06358	3.7
251.06845	0.7
257.13010	1.8
261.11288	1.1
265.05243	1.2
266.05850	2.5
266.09183	0.7
267.06635	100.0
268.06943	10.1
270.05426	0.7
281.08261	1.8
282.08984	62.6
283.09201	6.3
297.11328	85.8
298.11624	9.5
301.11911	2.0
315.08704	1.6
315.12268	3.9
330.11102	7.0
345.13422	24.5
346.13928	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	4.4
57.03448	3.6
58.00591	5.6
59.01382	100.0
69.37993	5.8
71.01385	73.2
72.99309	3.9
73.02945	10.4
83.01387	5.5
85.02954	22.8
85.03427	1.9
87.00876	2.2
89.02448	51.0
95.01406	5.1
96.96017	22.4
98.21807	1.3
99.00871	4.0
101.02450	48.8
108.02140	1.3
109.02985	2.8
111.05253	1.1
113.02458	29.2
114.32282	1.1
119.03513	22.2
121.02927	1.0
121.10256	8.4
123.04522	1.6
131.03607	1.4
136.01686	2.4
143.03500	1.9
149.04495	1.2
149.61440	1.2
151.04060	2.1
161.04594	6.7
161.05835	1.2
162.18774	1.2
165.09196	9.7
166.09569	1.3
167.10738	1.3
183.10315	2.8
198.26205	1.2
211.07903	1.5
255.06731	2.7
267.06662	6.4
270.09055	1.5
281.92902	1.3
282.09027	4.9
297.11346	8.4
345.15640	68.5
346.15958	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25706	1.4
55.01882	5.5
57.03448	6.0
58.00590	4.3
59.01383	92.4
69.13778	7.8
69.14204	7.1
71.01389	100.0
72.99312	4.6
73.02950	20.8
74.52052	1.6
80.37484	1.4
82.46840	1.4
83.01411	7.9
85.02962	33.3
87.00868	3.6
89.02454	54.3
90.02744	1.4
93.03437	1.7
95.01397	6.7
96.96004	3.4
99.00877	8.3
101.02450	58.7
101.99938	1.4
102.02804	2.0
107.72969	1.6
113.02451	41.2
114.02766	1.5
119.03512	21.6
121.10254	7.0
125.02522	2.5
131.03461	2.1
143.03513	5.9
159.03027	4.2
161.04572	29.1
165.09229	9.1
173.04617	2.9
177.26254	1.8
179.03549	1.4
179.05617	4.0
183.10278	1.6
191.05659	2.4
204.25203	1.4
301.16574	6.9
345.10306	4.0
345.15564	32.5
346.15793	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29213	2.0
55.01870	4.7
58.00590	4.3
59.01384	100.0
71.01385	69.2
72.99302	3.0
73.02930	12.3
74.33607	2.2
77.58341	2.0
83.01404	6.6
85.02953	19.1
87.00912	2.9
87.44543	2.1
89.02451	61.7
95.01386	4.3
96.95998	2.4
99.00892	3.4
101.02455	40.1
113.02467	30.4
117.92747	2.1
118.77821	2.1
119.03508	24.1
121.10254	4.7
136.12654	2.3
137.83180	2.2
149.04564	2.6
161.04544	8.1
165.09218	44.3
179.05621	3.6
183.10329	7.6
333.78305	2.3
345.15530	54.8
346.15704	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.1
57.03437	5.4
58.00586	3.6
58.82390	1.0
59.01385	100.0
71.01389	83.3
72.01740	1.7
72.99304	3.6
73.02954	14.5
73.42144	1.1
83.01402	8.6
85.02478	2.2
85.02962	29.5
85.06599	4.6
87.00903	2.1
89.02452	44.6
95.01392	6.2
96.96013	2.4
97.02953	3.2
98.22556	2.6
99.00887	8.8
101.02455	47.4
109.02953	1.7
113.02457	33.2
113.93909	1.2
119.03506	19.0
121.10245	18.5
136.01685	2.1
139.11327	1.6
143.03500	3.1
149.79137	1.2
151.04070	2.0
159.03053	4.0
161.04565	19.6
165.09256	4.1
165.73940	1.2
179.05711	1.7
183.10252	17.1
228.68253	1.1
267.06644	4.8
267.09381	1.3
282.08987	2.7
291.84741	1.3
297.11377	4.9
301.16702	1.8
335.96033	1.3
345.15601	46.4
345.19766	2.4
346.15979	3.5
355.84106	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	4.0
57.03458	2.5
58.00600	5.5
59.01384	100.0
60.01691	1.8
63.27000	1.5
69.11722	13.6
71.01389	77.2
72.99303	5.1
73.02956	7.0
83.01388	5.6
85.02952	19.6
87.00938	1.8
89.02452	59.4
95.01416	5.2
96.96003	4.2
99.00895	2.0
101.02454	40.7
101.03119	2.4
113.02464	27.0
114.34970	1.5
119.03516	24.8
121.10250	3.9
123.04551	2.0
139.11269	12.8
149.04587	2.3
161.04587	4.7
165.09201	7.0
179.05635	2.2
183.10298	14.3
214.59442	1.7
345.09705	3.5
345.15570	29.5
346.16058	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96535	0.3
56.35809	0.2
57.03184	0.4
57.03452	5.4
59.01380	5.1
59.54805	0.3
64.26991	0.3
70.75851	0.6
71.01388	4.1
73.02950	0.6
75.00835	0.5
81.59035	0.3
83.01382	0.3
85.02945	1.7
87.00859	0.5
89.02460	2.4
93.03469	1.8
95.01401	0.3
101.02437	1.7
106.04275	0.6
113.02467	2.0
117.42376	0.3
119.03520	0.9
121.06622	1.9
123.08186	1.5
125.06102	11.3
139.07669	4.0
142.98537	0.3
154.12506	0.3
161.04527	0.9
163.07620	0.8
173.04582	1.1
183.10278	100.0
184.10614	4.7
191.05670	4.2
192.05978	0.4
225.11292	0.4
226.06607	0.3
227.07100	0.5
237.11415	0.4
255.10240	0.5
255.12590	0.5
257.10983	0.6
345.08997	0.9
345.15408	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.6
57.03440	3.9
58.00577	4.1
59.01383	100.0
69.03471	1.7
71.01386	87.2
72.99309	4.9
73.02944	14.1
75.00854	1.2
81.99440	1.2
83.01396	6.6
85.02957	29.6
87.00907	3.9
89.02450	47.5
93.03453	3.7
95.01408	8.0
96.96038	4.4
99.00901	6.0
101.02448	52.3
113.02464	30.6
116.45966	1.3
119.03511	24.5
120.99688	2.5
121.10245	21.5
131.03574	2.6
135.04527	1.3
143.03523	3.4
159.03012	3.2
161.04564	15.4
165.09270	7.0
166.99863	8.3
167.10860	1.7
168.00650	4.3
173.04579	3.9
174.91519	1.3
179.05751	2.2
182.02214	1.9
182.83493	1.5
183.03003	9.1
183.10344	2.0
191.05646	4.7
197.09871	1.8
241.08742	2.8
345.08786	4.8
345.15585	45.1
346.16016	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.171
Annotation	Xerophilusin B
Peak:m/z	Relative Intensity
54.44392	0.4
61.98833	0.9
62.31689	0.3
95.05058	0.6
98.21767	0.7
105.03468	4.9
115.58082	0.5
119.05041	0.5
121.03012	0.6
123.04540	0.5
132.02159	2.1
133.02969	54.3
134.03860	3.4
136.01653	0.9
137.02452	1.6
139.04004	0.5
147.04492	0.6
149.02394	0.7
149.06126	1.4
151.04005	0.8
160.01685	11.6
175.04007	11.7
176.04471	0.5
177.01938	18.2
178.02695	4.5
192.04359	0.5
193.05098	3.8
199.95074	0.3
255.02161	0.4
256.53467	0.4
296.54630	0.5
330.14737	61.6
331.15067	5.4
345.17075	100.0
346.17413	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1707
Annotation	Xerophilusin B
Peak:m/z	Relative Intensity
61.59958	0.5
69.02380	0.9
69.02785	3.0
83.87859	0.5
94.29550	0.4
108.02158	0.6
109.02959	18.8
110.03281	0.7
120.25597	0.5
121.02968	1.9
122.03741	6.2
123.04546	3.8
124.01679	1.0
125.02449	12.6
135.04503	1.1
137.02451	85.0
137.09677	0.7
138.03258	25.0
139.04123	2.3
147.08221	0.5
149.06091	9.2
151.04005	0.8
152.04808	3.9
154.02757	1.1
164.04805	1.9
165.05580	4.5
166.06340	1.0
170.02222	4.2
177.09204	1.6
179.07130	5.2
184.03787	2.4
193.08824	1.1
199.64746	0.5
205.08685	2.4
301.14172	0.6
315.12460	5.9
316.12625	1.0
330.14719	58.4
331.15060	5.9
345.17062	100.0
346.17371	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1709
Annotation	Xerophilusin B
Peak:m/z	Relative Intensity
52.59232	0.7
53.38941	0.6
59.01377	0.6
60.97829	0.7
71.32143	1.2
78.70934	0.6
104.48809	0.6
121.02882	1.2
145.50620	0.7
149.06157	1.0
172.35686	0.7
200.04796	11.8
210.03242	3.0
211.04019	8.2
227.03445	7.1
228.04297	60.3
229.04695	4.6
243.06628	100.0
244.06989	7.9
257.08264	9.1
258.08908	10.6
301.14227	1.0
312.49127	0.8
330.10764	1.2
330.14709	22.4
330.18463	1.4
331.15103	3.6
334.97690	0.7
345.17090	51.6
345.25900	3.4
346.17294	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1711
Annotation	Laxiflorin L
Peak:m/z	Relative Intensity
51.46433	1.5
55.37107	1.3
57.44944	1.2
71.96265	1.5
74.64884	1.4
86.62848	1.4
89.21804	1.3
93.03461	1.7
96.96031	2.1
98.21814	4.5
108.02201	8.5
108.03719	1.4
109.02964	17.0
121.02982	18.4
122.03761	10.8
123.00932	2.4
123.04551	11.2
124.01640	4.1
134.03741	5.4
135.04533	2.5
136.01671	4.0
136.05281	4.1
137.02437	15.9
146.03766	3.3
148.05316	100.0
149.06131	16.3
151.04027	6.6
154.02731	3.7
160.05316	3.5
163.03978	2.5
163.07657	52.8
164.04791	8.6
164.07967	3.4
174.06967	1.9
175.07646	38.7
176.08253	3.3
178.06358	3.8
179.96994	1.4
188.08437	7.4
189.05557	2.9
189.09196	2.0
190.06331	2.6
203.10867	1.8
228.85266	1.8
282.08994	2.7
297.11325	22.4
298.11597	1.9
312.13705	23.9
313.14127	2.4
327.16019	64.7
328.16422	6.5
330.14795	9.3
345.17059	96.2
346.17517	12.0
347.65656	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1711
Annotation	Laxiflorin L
Peak:m/z	Relative Intensity
55.13889	2.3
69.04727	19.2
69.05142	10.0
71.19668	2.4
71.27763	2.7
79.23578	2.2
84.07898	2.5
86.54662	2.6
86.81118	2.5
91.14673	2.4
108.02187	4.2
109.02975	10.2
121.02956	19.5
122.03726	9.3
123.04536	5.6
124.01662	5.0
136.01645	5.1
136.05348	3.8
137.02448	18.1
146.03772	2.9
148.05322	92.4
149.06111	21.7
151.04063	2.7
160.05385	2.7
163.04048	4.2
163.07690	42.6
164.04811	11.9
164.07947	3.6
175.07666	34.9
176.08313	3.4
188.08498	4.5
189.05714	2.7
190.06358	3.4
204.07838	2.5
214.96469	2.5
257.09024	2.5
272.36322	3.0
297.11414	16.8
312.13718	11.4
327.16055	100.0
328.16315	9.7
330.14899	7.0
345.13309	4.2
345.17038	58.1
345.20978	4.6
346.17123	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42161	0.3
56.58473	0.3
59.01383	25.0
60.01715	2.6
60.18541	0.3
61.01816	0.6
61.98835	100.0
69.11009	1.0
69.11433	1.1
93.54556	0.3
98.22533	0.6
108.97453	0.3
152.46759	0.3
154.54076	0.3
157.03601	0.5
158.03703	0.5
159.01508	0.6
159.03278	0.5
159.17833	0.3
160.01772	0.3
161.01212	0.4
173.15611	0.3
201.02580	2.9
202.02724	10.0
203.02289	10.4
204.00005	39.9
204.02676	3.2
205.00139	2.6
205.02783	0.4
256.71191	0.3
346.00800	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.056
Annotation	Adenosine 2'-phosphate
Peak:m/z	Relative Intensity
59.01382	43.1
60.01719	3.9
61.01805	1.1
61.98837	33.0
62.96407	1.1
67.01869	0.9
69.48030	3.3
69.48447	1.1
71.01377	4.8
71.43757	0.7
72.99313	0.6
73.02934	1.1
73.61816	0.6
74.65944	0.8
74.75953	0.7
78.95911	62.6
85.02947	1.9
87.00896	1.3
89.02452	1.9
93.03460	5.8
94.03828	0.9
96.96966	14.4
97.02960	0.7
99.00925	0.8
101.02448	2.8
107.03660	2.4
111.02030	0.8
111.04548	1.5
112.04044	2.4
113.02446	1.2
119.03510	0.7
119.04979	0.9
120.96966	6.2
123.04523	1.2
130.04555	0.8
130.32172	0.7
131.02023	0.8
134.04744	36.9
135.04483	1.9
137.02510	1.0
138.03268	0.8
139.04024	1.6
140.04338	2.1
159.01509	0.8
159.03339	0.8
160.01686	0.9
161.01198	1.1
161.04639	0.8
163.04034	1.5
166.05115	7.3
173.04597	4.5
179.03476	1.4
182.08220	1.5
184.06110	1.1
185.03027	1.0
191.05640	10.7
192.06010	2.8
201.02591	4.5
202.02731	14.6
203.02313	16.7
203.98193	1.0
204.00029	12.4
204.02670	5.0
205.00084	0.9
205.02785	0.8
211.00153	100.0
212.00449	2.4
213.05101	0.8
214.05513	1.0
226.07162	0.8
227.07094	1.5
255.10312	1.0
264.83359	0.7
282.21313	0.6
286.08478	2.1
287.06003	3.5
345.59241	1.2
346.05640	6.9
346.10999	2.1
347.08734	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42150	1.9
55.54068	1.9
59.01130	2.9
59.01387	33.9
65.17897	2.1
69.47224	9.5
69.47631	3.9
71.01380	27.1
73.02947	10.1
75.00900	4.7
78.69613	1.9
83.01390	8.4
84.04575	4.8
85.02947	10.7
89.02444	11.3
90.29700	2.0
93.03477	3.5
94.03004	2.8
97.01728	2.2
101.02448	14.5
104.95265	2.5
110.02491	6.6
112.04059	59.0
113.02444	19.0
113.04364	2.3
116.52401	2.6
119.03506	2.9
122.06123	3.7
124.04050	47.4
140.07172	9.5
161.04588	5.5
164.66368	2.1
166.05099	90.1
167.05467	2.5
169.93393	2.6
173.04527	2.9
184.06155	100.0
185.06487	3.4
191.05669	4.7
198.07753	2.9
208.06165	9.3
226.07213	28.3
238.06796	2.2
256.08243	3.2
344.17947	2.2
347.17062	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80148	1.0
59.01102	1.3
59.01384	20.7
64.09399	0.8
69.48074	1.5
69.48484	5.3
71.01030	1.2
71.01386	14.2
73.02937	2.9
75.00873	0.9
77.55400	0.9
83.01398	1.9
84.00895	1.5
84.04535	1.1
85.02936	2.6
87.00893	0.9
88.01255	0.8
89.02447	4.1
93.03448	1.2
94.02994	1.0
95.05044	4.3
98.21799	1.8
101.02438	4.0
101.46525	0.8
110.02468	1.5
112.04058	41.3
113.02454	3.8
113.04357	1.4
119.03511	1.6
122.06140	1.0
124.04050	17.7
126.05598	3.9
136.07684	1.1
138.05635	1.0
140.07210	4.7
154.05096	7.0
161.04543	2.9
166.05104	100.0
167.05472	3.3
173.04599	1.4
182.08244	34.6
183.08528	1.7
184.06158	24.4
185.06320	1.1
191.05649	4.0
208.06154	2.6
210.12531	0.8
226.07208	13.1
227.07477	1.1
328.10291	2.1
338.19418	1.2
346.11469	18.8
347.11768	2.3
356.60806	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	12.7
59.01390	45.6
60.65825	5.8
61.98835	15.4
70.02977	11.9
70.11815	19.5
71.01386	49.5
73.02927	20.1
75.74781	6.9
77.97478	5.8
78.95873	9.4
83.01387	13.1
83.05002	6.5
85.02950	11.8
93.03468	56.2
99.00906	28.5
99.04527	10.9
111.00880	22.1
111.04509	21.5
112.98818	29.0
129.01935	28.1
134.04716	8.4
137.02458	17.6
139.05098	6.8
142.99870	60.0
155.03488	11.0
172.06139	14.1
173.01010	36.7
173.04555	100.0
199.96097	6.2
203.02328	25.7
211.00369	6.4
287.06180	13.1
291.74472	6.7
347.11203	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81955	4.1
62.08154	3.5
71.01357	5.5
72.27187	3.8
73.02961	18.8
77.75576	4.0
85.02946	5.3
85.52602	4.4
93.03475	45.1
98.21809	9.0
99.00894	6.2
99.04551	6.1
101.71975	3.7
111.04553	20.7
111.21503	3.8
112.98858	7.0
137.02444	13.7
142.99957	5.5
155.03491	9.8
173.04568	100.0
184.92581	4.1
191.05609	5.5
199.71973	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	9.6
59.01381	39.5
60.99298	2.9
67.01881	3.3
68.99808	5.1
69.03453	3.5
69.59592	9.3
69.60022	7.8
71.01388	48.2
72.99320	3.8
73.02946	31.3
78.95916	9.7
81.03443	7.3
83.01397	12.4
83.05040	6.7
85.02958	15.9
87.00896	10.3
89.02448	16.5
93.03471	57.5
95.01453	3.8
96.96004	7.0
97.37947	2.8
98.21821	3.4
99.00880	25.7
99.04539	6.4
101.00974	5.1
101.02452	30.0
111.00890	18.8
111.04522	23.2
112.98814	28.8
113.00945	3.8
113.02476	7.7
115.00333	3.4
117.00468	3.7
119.03496	5.8
123.04548	2.9
124.98811	3.3
125.02463	7.6
129.01945	21.6
131.03545	6.7
136.94031	3.3
137.02470	16.0
141.00435	4.5
142.99883	58.4
143.03554	5.3
155.03494	10.6
166.05104	2.8
167.00081	2.9
168.99890	4.0
171.67484	2.6
173.00943	25.2
173.03111	6.1
173.04562	100.0
173.06044	5.9
178.14082	2.6
179.05656	5.0
191.05656	20.6
203.02419	5.1
216.05612	7.7
250.95654	6.6
287.06253	26.1
288.06445	3.3
309.08307	10.6
347.07764	9.6
348.09726	22.9
348.13278	3.3
357.96075	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77871	3.8
56.28635	4.0
57.10735	3.7
59.01375	4.1
69.55996	4.3
71.03951	4.8
73.02941	21.9
83.04998	5.6
85.02979	3.8
86.57942	3.6
93.03473	47.8
100.85375	4.2
111.04491	18.6
137.02457	11.8
151.74254	3.9
155.03514	10.3
162.97774	3.9
173.04556	100.0
174.04874	8.2
270.48795	4.1
347.78369	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25983	0.9
57.07016	0.9
59.01369	4.7
70.74590	2.5
71.01381	2.6
75.56206	1.0
87.60059	0.9
87.78101	1.0
89.02451	2.9
91.01914	2.2
96.96031	3.7
97.93183	1.0
101.02473	1.5
108.02190	19.9
119.16605	1.0
121.02973	4.7
123.04533	15.1
125.02417	1.2
128.36429	0.9
135.04529	19.2
149.02446	43.4
150.02765	1.9
152.01167	40.6
153.01517	1.7
164.04803	100.0
165.05147	5.2
167.03503	64.4
168.03821	2.8
179.07150	64.8
180.07509	2.4
285.27463	1.2
300.33066	1.1
347.11603	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06438	0.9
55.01871	4.2
57.03436	4.0
58.00597	4.0
59.01380	100.0
60.01711	1.4
63.48190	0.9
68.99833	1.0
70.27974	2.0
70.28355	3.1
71.01385	92.0
72.99309	5.1
73.02949	20.2
75.00871	1.8
80.90801	1.0
81.03432	1.2
83.01382	7.7
85.02957	32.0
86.03291	1.2
87.00888	4.0
89.02451	65.7
93.03467	1.1
95.01370	5.8
96.96021	1.1
97.02977	1.7
97.06597	3.7
99.00879	6.3
101.02448	65.6
113.02456	39.2
119.03506	29.9
125.02470	4.0
131.03474	2.7
141.09163	1.2
143.03537	7.5
149.04614	2.3
159.03011	6.0
161.04564	32.7
179.05632	10.6
185.02277	1.3
185.08272	2.8
185.11858	4.3
248.17821	1.0
287.59808	1.0
347.07977	1.3
347.12881	2.2
347.17059	27.5
348.17603	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1713
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
50.61646	0.9
55.01876	1.9
57.03442	1.3
58.00588	1.7
59.01383	53.8
60.21285	0.8
71.01390	30.4
72.99303	1.7
73.02944	4.4
83.01393	3.8
85.02954	9.5
87.00891	1.3
89.02451	23.3
90.38071	1.0
95.01397	3.2
99.00899	1.7
101.02452	21.9
113.02456	11.2
119.03517	8.3
131.03464	1.3
161.04552	3.2
161.95139	0.9
163.26649	0.9
167.10786	20.6
169.12430	1.5
185.11841	10.9
232.57137	1.0
266.30276	0.9
303.18069	1.1
347.17114	100.0
348.17551	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70895	1.6
57.03446	2.8
58.00574	6.2
59.01385	100.0
61.15762	1.5
64.10017	1.6
69.18612	9.4
69.19034	4.6
71.01387	60.6
72.99304	6.2
73.02942	1.7
83.01379	3.1
85.02969	12.5
87.00863	2.3
89.02449	70.9
90.02753	2.0
95.01370	4.2
96.96022	4.0
98.22680	1.6
101.02449	26.4
113.02463	26.5
119.03524	32.3
124.01665	1.9
125.02460	10.9
131.03477	2.3
143.03468	2.8
151.00378	2.6
152.01115	4.8
155.45844	1.6
161.04521	2.2
167.03456	4.4
167.10747	10.5
179.00023	2.3
179.05632	5.5
186.05878	1.6
271.02682	1.8
303.08850	2.4
319.08261	7.0
347.07687	3.2
347.11581	3.5
347.17136	5.3
347.24350	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.5
57.03436	4.3
58.00593	5.2
59.01382	100.0
60.01687	1.3
62.70154	0.8
71.01386	92.4
71.28934	1.0
72.01711	1.8
72.99322	4.5
73.02953	15.2
81.03484	0.9
82.59618	0.9
83.01402	7.8
85.02956	25.6
87.00887	5.4
89.02450	67.2
91.00632	1.0
93.03460	0.9
95.01405	7.2
96.96024	0.9
97.02967	2.0
99.00892	7.2
101.02448	58.4
102.02795	1.0
109.02971	2.0
111.04524	1.1
113.02454	39.6
115.99003	0.9
119.03510	28.1
119.04910	1.4
123.04497	1.1
125.02456	6.2
131.03525	3.9
143.03510	8.0
145.04851	0.9
149.02502	1.2
149.04509	2.3
149.09689	1.4
155.73303	1.0
159.02985	6.1
161.04556	33.9
162.03271	0.9
170.75934	0.9
179.05598	11.2
185.11893	6.9
209.39534	1.1
230.20218	1.1
243.02997	1.9
289.07169	1.7
335.17532	1.1
347.08035	1.4
347.13162	2.1
347.17227	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93601	8.4
66.90681	7.4
69.00579	56.0
69.01014	41.4
76.41598	7.9
79.69209	7.8
79.77683	8.7
82.42214	7.5
82.90703	8.8
105.03468	10.1
133.02998	46.3
177.01929	20.6
301.18124	22.8
329.17523	25.5
332.16354	48.6
347.18637	100.0
347.22540	14.6
348.18845	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76770	5.9
57.17418	6.1
62.59329	6.2
71.32037	8.4
133.02957	17.4
137.03389	5.9
240.88979	6.0
241.15970	16.7
257.19168	9.5
301.18170	35.5
329.17572	29.5
332.16171	19.5
347.18652	100.0
348.19022	11.7
360.96851	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2229
Annotation	Kolavic acid 15-methyl ester
Peak:m/z	Relative Intensity
64.79949	0.4
66.96365	0.4
69.51858	0.4
71.31005	0.5
74.63611	0.4
81.58925	0.4
104.98830	0.4
125.21576	0.4
140.49525	0.4
145.53221	0.5
164.08405	1.3
168.38611	0.5
196.07425	1.2
229.08727	1.0
231.10309	0.8
243.10237	3.7
244.10991	4.2
257.11880	0.7
272.14224	1.5
272.17542	0.7
285.69394	0.5
299.16583	1.2
300.17145	2.6
315.19669	100.0
316.20004	10.4
347.18365	1.4
347.22311	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	95.2
69.55959	96.9
69.56367	47.5
70.81110	25.1
71.01371	31.2
71.42131	27.2
77.24359	22.6
89.02438	45.9
143.10794	100.0
177.46606	31.1
185.40727	24.0
194.49939	26.3
214.74988	23.2
280.06754	23.3
349.18970	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.5
59.01382	4.0
60.88977	1.5
63.02411	8.2
65.00339	12.2
70.62463	2.9
71.01389	4.9
83.01396	12.4
83.94722	1.4
85.02940	2.3
95.01407	2.1
101.02464	2.8
107.01401	25.7
109.02959	5.4
111.00854	1.8
113.02424	1.4
117.03543	2.5
119.01392	3.0
121.02924	4.0
123.04507	2.4
125.02495	2.9
133.02924	2.7
135.00845	2.0
136.01685	14.9
147.00893	7.9
148.01659	3.0
151.00386	77.5
152.01083	3.1
153.01880	2.0
157.02887	1.5
161.02451	1.7
163.00339	3.7
164.01231	1.6
167.03485	4.5
169.01485	5.0
171.04503	3.7
175.04053	2.7
176.43221	1.6
178.99883	46.3
179.03502	4.3
183.45303	1.5
187.09761	3.5
187.13438	3.5
192.27884	1.6
193.01384	1.6
195.03056	2.6
199.03999	10.9
199.25484	1.5
201.01895	2.8
203.03503	3.0
211.03957	2.6
213.01903	3.2
214.77660	1.7
215.03439	2.8
227.03439	9.6
231.02927	3.2
243.03029	16.5
245.04588	1.9
255.02957	7.4
256.03726	2.2
271.02499	100.0
272.03094	17.5
273.03940	5.6
278.53879	1.6
298.98532	2.3
299.01984	62.2
300.02744	79.5
301.03445	21.7
302.03949	1.9
331.04633	54.8
332.04889	5.4
339.96841	1.7
349.18549	8.0
349.88727	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.6
67.01869	0.9
67.23071	0.7
69.03439	1.2
69.12766	7.2
77.03960	2.2
79.01906	1.8
83.01393	3.3
89.02466	1.0
93.03461	3.5
95.01395	3.3
95.05034	1.6
97.02962	14.9
109.02951	1.7
121.02972	11.3
123.00901	12.3
137.02452	38.9
138.02776	1.1
139.00406	2.3
139.04033	4.7
141.01996	1.4
151.00388	12.4
160.00987	0.8
165.01944	100.0
166.02324	4.6
183.02986	10.7
197.04553	50.7
198.04939	2.1
226.59958	0.9
317.03091	4.0
349.05704	12.6
353.08966	1.1
357.69095	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
55.58101	1.1
56.28849	1.2
57.03455	1.1
59.01378	10.6
62.00471	1.3
63.43886	1.2
63.79597	1.4
65.35245	1.3
71.01383	6.7
71.26450	1.1
71.30960	3.1
71.38332	1.2
72.99291	1.5
73.02936	2.0
80.29304	1.2
85.02937	2.2
89.02437	2.9
93.03450	1.3
94.02969	1.6
95.01391	1.4
96.96001	2.0
101.02447	4.7
107.05025	1.9
108.02197	3.9
113.02464	2.2
116.92860	1.9
119.03545	1.7
119.05058	2.2
120.99655	1.3
121.02991	9.1
122.03761	1.4
123.04524	5.1
134.03764	4.0
135.04535	4.1
147.17203	1.1
150.03250	2.4
151.04027	2.3
159.04485	1.2
161.04561	2.6
165.05559	4.1
175.07642	1.9
175.13527	1.3
180.79388	1.2
185.06059	2.9
186.06886	2.2
187.09796	1.3
193.06657	1.8
199.07648	17.1
200.08347	6.1
201.09204	1.6
209.05986	2.4
210.06886	49.1
210.74152	1.2
211.07510	5.6
213.05635	3.0
215.07130	1.3
225.05576	2.5
225.09215	24.7
226.06407	3.9
226.09508	3.4
227.07155	53.7
228.07925	34.7
229.08337	2.7
241.08699	10.9
243.10274	100.0
244.10739	7.5
246.08891	1.9
257.08179	4.3
261.11325	14.3
279.70627	1.2
331.13269	1.3
349.09195	7.9
349.13339	1.9
349.18558	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
66.45703	0.9
69.92445	3.4
72.00928	4.9
74.02481	1.2
77.69810	1.0
77.74955	0.9
79.95736	4.2
80.18533	0.9
89.87099	1.2
93.03461	3.7
96.96020	6.9
99.88082	1.0
100.00406	16.2
100.84340	1.0
116.05080	9.8
117.03470	10.4
119.05033	100.0
120.05370	4.2
128.05069	1.1
130.06636	7.5
142.06628	25.6
145.02960	50.6
146.03281	2.6
146.06119	6.5
147.04527	5.4
154.06581	0.9
157.07706	18.0
159.09297	9.4
162.05629	2.6
174.05675	1.6
176.07124	5.1
181.07765	6.3
185.07182	1.6
186.05629	14.7
187.05899	1.6
199.08812	1.9
203.08238	5.4
220.06093	1.9
229.06175	43.6
230.06494	3.2
231.24545	1.1
277.13400	1.2
305.12976	10.6
349.12039	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.0
61.98799	1.0
69.04792	7.5
69.05196	2.2
71.01383	1.6
71.49834	0.9
72.00914	7.1
74.02467	2.4
76.23084	1.0
76.29823	1.0
79.95775	1.0
82.02983	1.0
93.03486	0.9
96.96021	2.1
98.99722	1.0
100.00410	17.9
116.05111	7.1
117.03479	15.3
118.03841	1.1
119.05040	100.0
120.05365	5.0
130.06636	4.9
142.06638	36.7
143.06953	2.2
145.02968	58.9
146.03304	2.6
146.06136	1.8
147.04568	1.6
157.07721	4.6
159.09296	3.6
169.32065	1.0
176.07137	1.7
181.07689	1.1
183.05545	1.0
185.07268	2.2
186.05632	20.4
187.05800	1.4
203.08292	7.7
220.06015	1.1
229.06194	49.4
230.06491	3.7
267.15762	1.2
283.98676	1.0
300.85565	1.0
305.12955	4.3
349.08307	1.1
349.12106	6.0
349.19965	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.7
57.03445	1.7
58.00579	4.3
59.01384	100.0
60.01728	1.2
67.51213	1.0
70.45847	0.9
71.01389	59.4
71.31740	1.9
72.99307	3.4
73.02956	5.0
81.86932	0.9
83.01400	5.5
85.02950	14.9
87.00868	3.2
89.02453	54.0
95.01399	4.3
96.90345	1.1
96.96011	2.5
99.00897	1.8
101.02452	41.2
109.02829	1.3
113.02457	24.6
119.03519	27.5
127.95413	1.0
131.03529	2.0
143.03514	3.5
149.04524	1.6
151.04033	2.4
155.96295	1.2
159.02963	1.7
161.04533	9.1
163.03899	1.0
179.05600	2.8
186.02010	1.0
211.07646	9.6
255.06610	1.8
260.66101	1.0
288.21365	1.1
305.10373	1.9
317.06323	1.8
349.09314	8.2
349.15036	69.6
349.18652	7.4
350.15445	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15811	0.6
50.26701	0.7
50.45675	0.6
53.56330	0.8
55.01881	4.5
57.03455	4.3
57.21429	0.6
58.00600	5.3
59.01384	99.6
60.01748	1.2
69.03455	0.8
71.01388	100.0
71.28340	0.6
72.01731	1.3
72.99309	6.3
73.02951	19.2
74.29913	0.7
83.01396	9.6
84.02154	0.9
85.02958	29.8
87.00885	5.8
89.02453	66.0
90.02782	1.2
95.01397	7.8
96.96027	2.1
97.02985	1.2
99.00889	7.1
101.02451	70.1
102.02804	1.4
111.08178	0.8
113.02464	42.9
114.02845	1.3
119.03510	31.8
124.18990	0.7
125.02473	3.1
131.03546	2.9
137.02448	1.1
141.09254	1.5
143.03503	6.2
143.04353	0.6
149.04576	2.9
151.00401	1.2
153.01863	0.8
153.91165	0.6
157.38748	0.7
159.03035	6.2
159.04208	1.0
161.04576	26.9
162.04936	0.8
178.99954	0.7
179.05650	8.1
187.11772	0.9
187.13426	12.1
188.13766	0.9
205.03467	0.9
232.76036	0.8
349.18704	30.6
350.18848	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.5
56.35982	1.0
57.03446	3.0
57.72389	1.0
58.00583	3.3
59.01381	100.0
60.01721	1.9
69.57739	2.3
69.58150	4.8
71.01386	85.9
72.99303	4.8
73.02950	16.8
83.01390	7.7
85.02954	24.4
87.00882	3.6
89.02451	58.2
95.01401	5.0
96.96053	1.4
99.00871	5.6
101.02451	58.6
113.02461	34.9
119.03503	27.5
120.03860	1.7
125.02393	1.9
128.30617	1.1
131.03506	2.0
141.09215	1.8
143.03525	5.3
149.04558	2.0
159.02966	3.8
161.04572	18.7
179.05580	7.3
187.13419	10.5
198.49184	1.3
289.52158	1.1
349.13412	2.2
349.18643	22.0
350.19000	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.187
Annotation	6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.60817	0.4
53.99149	0.4
55.01876	1.0
57.03434	1.1
58.00597	0.6
58.14356	0.4
59.01101	0.6
59.01384	9.9
69.00190	2.3
69.00595	0.6
69.03476	0.4
71.01389	13.5
72.99300	1.0
73.02943	2.8
75.21472	0.3
83.01384	2.4
85.02953	4.3
87.00893	1.5
89.02441	1.0
92.28529	0.4
95.01381	1.1
97.02930	0.4
98.22572	0.7
99.00914	0.9
101.02449	5.6
107.43994	0.3
111.00921	0.7
113.02473	1.9
118.55027	0.3
121.29857	0.3
125.02431	0.7
129.01915	0.4
134.87279	0.4
141.12862	6.3
153.24113	0.4
169.12329	1.2
179.01160	0.3
187.13405	33.4
188.13731	1.5
201.14960	0.6
229.14500	0.6
331.17639	2.9
349.18689	100.0
350.19055	9.8
350.86804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31424	1.0
55.01883	5.6
57.03432	4.4
58.00585	3.8
59.01381	100.0
60.01697	1.3
61.98837	1.0
67.21416	1.0
69.54398	1.8
69.54778	2.4
71.01385	86.2
72.99303	4.5
73.02952	14.5
83.01398	7.6
85.02955	27.0
87.00881	5.1
89.02451	59.6
95.01395	7.2
97.02949	1.5
99.00887	4.7
101.02449	58.1
102.02755	1.3
113.02460	32.0
119.03516	28.1
125.02437	1.4
127.77061	1.0
131.03490	2.7
132.18506	1.0
143.03517	5.7
149.04578	1.4
152.67358	0.9
159.02992	2.9
161.04570	20.4
179.05579	5.6
187.13432	12.3
208.55157	1.0
236.33641	0.9
318.09677	1.0
349.18735	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60817	0.4
53.99149	0.4
55.01876	1.0
57.03434	1.1
58.00597	0.6
58.14356	0.4
59.01101	0.6
59.01384	9.9
69.00190	2.3
69.00595	0.6
69.03476	0.4
71.01389	13.5
72.99300	1.0
73.02943	2.8
75.21472	0.3
83.01384	2.4
85.02953	4.3
87.00893	1.5
89.02441	1.0
92.28529	0.4
95.01381	1.1
97.02930	0.4
98.22572	0.7
99.00914	0.9
101.02449	5.6
107.43994	0.3
111.00921	0.7
113.02473	1.9
118.55027	0.3
121.29857	0.3
125.02431	0.7
129.01915	0.4
134.87279	0.4
141.12862	6.3
153.24113	0.4
169.12329	1.2
179.01160	0.3
187.13405	33.4
188.13731	1.5
201.14960	0.6
229.14500	0.6
331.17639	2.9
349.18689	100.0
350.19055	9.8
350.86804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.2
55.41185	0.7
57.03438	3.4
58.00608	4.8
59.01381	100.0
60.01704	0.9
71.01386	79.9
71.31662	1.1
71.49503	0.7
72.01741	1.0
72.99312	4.1
73.02951	12.7
82.36336	0.7
83.01390	8.2
84.02162	0.7
85.02955	28.3
85.61271	0.7
87.00886	4.1
89.02451	61.3
95.01409	4.6
96.96023	1.8
99.00877	4.2
101.02450	54.4
102.02816	1.4
111.08189	0.8
113.02460	30.4
119.03511	28.8
119.54552	0.8
125.02464	1.4
129.01895	0.9
131.03508	3.0
141.09280	1.4
143.03511	4.8
149.04565	1.7
159.02983	3.5
160.01599	1.0
161.04572	17.0
175.03967	1.9
179.05615	7.7
179.27496	0.8
187.13441	6.2
228.21312	0.7
256.88947	0.8
266.45325	1.2
286.89029	0.8
349.13370	1.3
349.18661	6.8
350.12912	1.2
371.40271	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.3
57.03450	2.7
58.00576	3.4
59.01385	100.0
68.90641	0.9
69.56522	2.6
69.56927	3.6
70.72144	1.2
71.01387	77.0
72.01719	1.5
72.99300	3.0
73.02946	9.7
83.01383	4.3
85.02953	19.8
87.00882	2.7
89.02453	65.6
90.02773	1.5
90.57259	1.1
92.18372	1.0
95.01375	5.2
99.00872	3.7
101.02453	44.7
104.28787	1.1
113.02460	30.2
114.02760	1.2
119.03511	29.2
125.02488	1.7
131.03505	3.3
143.03516	6.8
149.04543	2.2
159.03036	2.1
161.04555	15.8
179.05643	9.6
187.13422	9.6
349.14383	2.6
349.18677	42.2
350.18982	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80507	0.9
55.01867	2.8
57.03435	3.8
58.00590	3.6
59.01383	100.0
60.01694	1.5
64.52631	1.0
69.03457	1.5
69.62527	0.9
70.58551	2.4
71.01386	75.7
72.01752	1.3
72.99306	4.4
73.02948	10.3
83.01391	5.1
85.02480	1.8
85.02959	22.1
87.00878	4.3
87.04493	1.7
89.02450	68.1
90.02766	1.7
95.01380	5.0
97.02925	1.3
99.00892	5.7
101.02451	48.9
113.02458	30.3
119.03504	30.4
131.03491	2.7
137.10556	1.1
143.03572	7.1
149.04562	2.3
159.02977	2.9
161.04576	18.7
169.88422	1.0
173.00504	0.9
179.05679	9.5
187.13416	8.6
229.93294	1.0
245.29741	1.1
349.09631	1.4
349.14398	2.2
349.18686	42.8
350.18890	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38536	1.1
55.01899	4.6
57.03449	4.1
58.00591	3.9
59.01384	100.0
60.01717	1.3
69.03466	1.3
71.01389	80.9
71.05029	1.3
71.29855	1.9
72.01736	0.9
72.85435	0.8
72.99323	4.1
73.02953	14.3
73.04075	1.2
73.36189	0.9
75.00887	1.8
83.01411	7.0
84.52030	1.0
85.02956	28.1
85.88155	0.8
87.00878	4.6
89.02455	57.4
95.01405	5.6
99.00883	6.7
101.02453	55.8
113.02464	32.9
119.03511	25.0
125.02521	1.2
125.60818	0.9
131.03523	2.1
139.97226	0.9
143.03511	4.2
149.04524	1.5
150.54008	1.0
157.12340	1.3
159.03014	3.6
161.04568	22.6
161.05902	1.5
164.07278	1.3
179.05643	6.8
187.09892	1.4
187.13423	10.2
243.10237	1.7
256.29504	1.0
287.10071	1.5
349.14792	1.8
349.18680	17.7
350.19119	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34280	1.4
55.01875	4.1
57.03434	3.6
58.00594	3.2
59.01383	100.0
61.98824	2.3
63.78319	1.1
69.03471	1.3
71.01389	98.8
71.29134	1.6
72.99305	5.8
73.02949	18.4
75.00877	2.0
83.01385	8.7
85.02477	2.4
85.02956	31.0
87.00871	5.4
89.02451	65.5
95.01393	8.3
96.96008	5.1
97.02953	1.5
99.00883	8.7
99.92579	3.0
101.02448	60.8
102.02784	1.8
107.57071	1.4
110.97100	1.4
113.02460	40.8
115.92078	4.2
116.92868	10.2
119.03512	27.9
119.04340	1.6
119.81231	1.4
125.02468	1.9
131.03526	2.0
136.07695	3.6
138.09322	2.1
139.00407	1.3
143.03511	6.2
149.02437	1.4
149.04651	1.4
159.02972	4.7
161.04556	25.0
162.04849	1.7
179.05630	7.7
180.06769	1.4
187.13380	4.4
349.09543	3.3
349.14117	3.6
349.18597	23.2
350.18863	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2021
Annotation	Pedunculatic acid
Peak:m/z	Relative Intensity
58.29646	0.8
59.01363	2.2
59.49361	0.9
69.64794	1.0
71.01377	0.9
71.32255	1.6
72.90053	1.0
79.05502	0.9
121.02965	2.9
125.19561	0.9
191.03552	1.6
248.32635	0.9
305.21225	90.5
306.21579	9.1
349.20221	100.0
350.20480	10.2
352.84686	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2386
Annotation	13,14-dihydroxy-11-mulinen-20-oic acid
Peak:m/z	Relative Intensity
57.03450	12.0
70.92736	19.6
71.01405	19.1
77.90835	9.6
87.04528	100.0
139.07668	16.7
153.09251	20.4
153.16624	10.0
165.53685	10.0
183.65858	8.9
220.62856	10.6
243.51604	11.9
261.22226	24.1
265.62109	10.6
277.21649	10.1
287.23636	16.5
305.24994	47.8
349.23801	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	14.3
59.38751	2.3
61.98833	100.0
64.76453	3.2
67.01859	2.5
69.31998	16.9
71.01379	10.6
73.02947	4.4
78.37452	2.6
83.01419	2.9
85.02939	5.2
87.00861	8.6
93.03461	24.0
95.05021	4.3
98.22523	3.3
101.02457	4.9
105.03474	7.9
109.02955	11.1
111.04490	5.6
119.40524	2.8
123.04519	3.1
133.02959	62.2
135.04555	16.5
147.43320	2.8
150.03165	4.1
173.04617	23.7
177.01912	23.0
179.03433	5.3
181.34924	3.3
191.05673	30.7
215.05667	21.3
307.08228	6.8
350.15149	4.4
351.07397	14.8
351.16687	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1457
Annotation	O-beta-D-Xylosylzeatin
Peak:m/z	Relative Intensity
50.91840	0.8
55.01885	0.7
56.59246	0.6
57.24913	0.7
58.00601	0.9
58.02974	7.7
58.63397	0.6
59.01383	31.9
61.98817	0.8
62.90118	0.5
65.80113	0.7
71.01387	18.2
71.05660	1.4
72.99299	1.6
73.02945	1.3
77.03989	1.1
80.35463	0.7
83.01397	2.5
85.02977	5.1
87.00893	1.5
89.02452	13.7
93.03452	2.1
95.01387	1.1
95.05048	1.8
100.07661	3.3
101.02440	10.6
105.03458	7.5
111.04522	1.2
113.02458	6.9
114.09259	10.0
119.03522	4.4
123.04534	3.2
126.09259	7.6
128.07198	1.9
128.10818	1.6
130.08760	1.1
132.02179	1.1
133.02968	56.2
142.08743	21.0
144.10332	0.9
146.08206	1.8
149.02428	1.0
150.03188	1.2
151.04060	0.8
153.05571	0.9
156.10297	1.0
157.16147	0.6
161.04613	1.0
170.08223	3.3
172.09793	2.8
173.04550	7.9
177.01929	18.5
184.09776	3.4
188.09291	45.9
189.09647	1.8
212.21526	0.8
230.10297	2.7
236.95108	1.2
350.14563	100.0
351.07077	2.0
351.14926	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1612
Annotation	Retrorsine
Peak:m/z	Relative Intensity
50.11923	0.8
57.03438	1.8
59.01369	2.3
60.99334	0.9
71.01381	2.5
71.31685	1.4
71.32053	1.2
72.00890	1.1
74.02478	21.8
75.00849	1.3
81.03465	1.8
82.02999	1.1
83.01413	1.4
84.04551	3.7
85.02999	1.2
87.00894	1.5
93.03450	2.9
93.07114	1.0
95.05047	2.3
96.96024	7.4
101.02470	0.9
103.67460	0.9
104.03528	6.4
104.58763	0.8
108.04565	0.9
109.02928	4.5
109.06600	1.5
111.00906	1.5
111.04520	1.6
115.00362	1.0
119.05032	1.1
119.08722	1.1
121.06601	2.8
122.06100	1.0
123.04462	1.1
124.07696	1.6
125.06078	9.5
126.30786	0.9
133.02972	6.3
134.03731	3.4
135.08203	1.6
136.05284	3.5
137.02409	1.2
137.09734	1.7
138.06882	2.4
139.00444	2.6
139.07648	2.8
145.02995	1.1
148.05284	3.5
149.06107	2.7
149.09814	1.1
151.07661	3.0
152.08441	2.6
153.09222	2.1
155.03540	1.6
157.01453	3.3
161.09775	2.0
163.04076	1.0
163.07666	4.2
163.11316	4.2
165.09195	3.4
166.05119	2.0
175.02533	2.0
175.03984	1.2
175.07622	1.2
177.01956	1.9
177.09187	2.4
177.12938	1.2
189.05630	0.9
189.09181	2.5
190.08701	1.6
193.05064	1.9
194.05373	2.4
201.12859	23.2
202.13229	1.3
203.10782	9.9
203.14407	1.0
204.11584	6.2
215.14365	1.4
217.12346	2.3
219.13898	18.1
219.16003	1.1
220.14227	1.7
230.09418	4.7
232.13327	1.1
233.08205	4.0
245.11879	11.5
245.15541	2.2
258.14893	2.3
261.13800	1.5
270.15039	2.7
273.13702	1.6
276.16193	1.7
288.15979	8.3
291.14935	0.9
320.15054	32.5
321.06155	1.2
321.15216	2.8
328.81961	1.1
332.14847	1.2
344.47498	1.0
350.16119	100.0
351.07428	2.0
351.16452	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00116	0.5
70.81880	0.8
70.82233	1.2
71.01373	0.6
72.84200	0.6
77.03971	2.6
78.47754	0.6
89.03982	0.7
93.03462	4.6
94.88551	0.6
95.05027	4.1
98.53246	0.7
105.03468	13.1
111.04526	1.3
121.02964	0.9
123.04520	2.6
128.48003	0.6
132.02165	1.6
133.02966	100.0
134.03290	4.0
150.03278	0.8
150.96198	0.6
151.04112	1.1
153.05612	1.3
155.03514	2.2
173.04555	13.6
177.01949	37.3
178.02301	2.0
180.24127	0.7
214.43057	0.6
351.07095	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00670	0.9
55.01882	7.9
57.03461	6.8
57.03684	1.4
58.00588	3.3
59.01384	86.5
61.98835	14.4
71.01388	77.7
71.30991	1.5
71.31374	1.3
71.82295	1.0
72.01700	1.4
72.99305	3.9
73.02952	23.9
75.00848	2.4
83.01394	15.2
84.09126	1.0
85.02959	36.7
87.00899	6.4
89.02452	35.8
90.02794	1.2
93.03468	5.4
95.01401	6.0
95.76907	1.1
97.02959	1.7
99.00903	9.6
101.02451	79.5
102.02795	1.7
105.03463	3.2
111.00881	6.7
113.02464	32.3
119.03506	20.6
122.06121	1.6
125.02419	2.0
129.01961	2.9
131.03535	3.2
133.02960	21.7
138.05614	1.5
143.03493	4.8
147.35005	1.2
149.04468	1.3
159.03050	7.3
161.02448	1.2
161.04556	22.3
163.03944	1.6
167.05852	1.9
173.04579	9.4
177.01978	9.8
179.05540	3.2
187.13336	1.6
189.14992	9.8
191.05594	2.5
264.12622	1.2
265.07465	1.4
307.12988	4.7
322.20908	1.3
351.11411	3.5
351.20248	100.0
352.20627	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00670	0.9
55.01882	7.9
57.03461	6.8
57.03684	1.4
58.00588	3.3
59.01384	86.5
61.98835	14.4
71.01388	77.7
71.30991	1.5
71.31374	1.3
71.82295	1.0
72.01700	1.4
72.99305	3.9
73.02952	23.9
75.00848	2.4
83.01394	15.2
84.09126	1.0
85.02959	36.7
87.00899	6.4
89.02452	35.8
90.02794	1.2
93.03468	5.4
95.01401	6.0
95.76907	1.1
97.02959	1.7
99.00903	9.6
101.02451	79.5
102.02795	1.7
105.03463	3.2
111.00881	6.7
113.02464	32.3
119.03506	20.6
122.06121	1.6
125.02419	2.0
129.01961	2.9
131.03535	3.2
133.02960	21.7
138.05614	1.5
143.03493	4.8
147.35005	1.2
149.04468	1.3
159.03050	7.3
161.02448	1.2
161.04556	22.3
163.03944	1.6
167.05852	1.9
173.04579	9.4
177.01978	9.8
179.05540	3.2
187.13336	1.6
189.14992	9.8
191.05594	2.5
264.12622	1.2
265.07465	1.4
307.12988	4.7
322.20908	1.3
351.11411	3.5
351.20248	100.0
352.20627	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20169	0.9
53.46976	1.0
56.07468	0.9
57.03451	4.7
59.01387	3.1
69.32269	4.1
69.32689	4.1
72.72308	1.0
79.61983	0.9
79.84574	1.0
80.02709	1.5
83.05074	1.2
95.05057	2.5
96.95991	1.2
97.06599	14.1
106.24488	1.0
123.08183	8.2
125.09737	100.0
126.10068	4.7
133.02985	2.9
137.09695	1.3
153.12851	14.8
154.13219	1.3
169.08794	2.7
181.12363	29.4
182.12650	2.6
187.09787	1.8
196.95172	1.0
249.87846	1.2
273.30701	1.0
296.28549	1.1
338.84497	1.1
351.21991	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2541
Annotation	(-)-Ebelactone B
Peak:m/z	Relative Intensity
57.03448	7.4
59.01367	15.6
62.44996	4.1
69.69756	23.3
71.01385	11.2
72.02175	11.1
77.65230	4.9
84.47340	5.1
87.04526	61.4
96.96032	8.8
139.07649	6.0
153.09160	5.5
155.14403	9.3
203.71129	5.1
263.23795	31.9
277.25308	7.6
279.23233	12.9
289.25339	14.0
307.26416	100.0
308.26724	10.1
315.24591	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.2
61.98519	2.3
61.98832	37.8
66.63462	1.2
67.01884	1.3
69.77250	1.3
69.97380	4.7
71.01385	2.3
81.03448	1.5
83.05006	1.3
85.02971	10.7
85.75566	1.1
87.00866	2.4
93.03461	11.4
109.03011	1.5
111.04530	1.7
127.04031	2.9
133.02960	3.1
135.04527	22.4
137.02461	2.0
155.03477	2.0
161.02444	3.7
173.04572	24.1
179.03519	17.9
191.05615	100.0
233.04372	1.3
260.60547	1.4
352.17004	1.6
353.08783	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61619	2.9
57.03432	4.0
59.01384	14.0
61.98836	56.9
64.20466	3.5
65.00314	3.2
69.68449	14.5
69.68838	5.8
71.01389	12.1
73.02944	3.9
83.01405	5.5
85.02965	18.3
87.00865	3.9
89.02451	6.6
93.03465	6.9
98.04927	3.2
98.22466	3.6
101.02483	8.8
109.02969	7.8
111.00878	4.4
113.02540	3.3
123.58389	3.0
125.02460	8.7
133.02969	5.3
135.04546	4.8
137.02411	5.8
151.00371	12.4
153.01967	10.9
161.02499	4.2
165.02011	3.9
178.99777	8.5
179.03487	4.3
181.01418	6.9
191.05630	100.0
217.45810	3.6
237.68532	3.3
273.03998	5.5
310.31448	3.9
317.03052	21.7
351.20096	5.2
352.20859	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	2.4
65.72536	1.4
67.77874	1.2
69.12415	13.4
79.95745	8.9
80.96523	2.3
93.03478	2.3
96.96049	1.5
100.90916	1.5
107.05036	32.5
109.02975	16.1
110.66119	1.5
121.02964	14.4
122.03748	22.4
124.01698	3.0
133.02975	34.1
137.02467	5.1
143.26300	1.4
151.03979	2.7
154.02737	5.0
171.14725	1.5
191.05659	9.3
209.06230	2.4
227.07178	13.1
229.06732	1.2
229.08704	31.5
230.08897	1.8
237.05696	2.2
242.36182	1.6
253.01096	1.4
255.06653	100.0
256.07092	9.0
273.07706	94.8
274.08057	8.1
309.04333	4.7
309.07544	1.6
335.02335	62.1
336.02606	4.8
338.08072	7.4
338.11707	1.7
353.03381	54.5
353.10355	5.5
353.23441	2.9
354.03723	4.2
370.25540	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.088
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
59.01361	1.9
67.01900	0.8
69.14887	0.8
69.40589	1.3
69.40993	3.1
71.01380	1.6
73.02947	0.9
83.05000	1.1
85.02950	8.7
89.02455	1.7
93.03486	6.1
94.98621	0.7
107.05023	1.9
109.02934	1.0
111.04521	3.7
117.03542	0.9
127.04002	2.7
133.02968	1.9
134.03764	6.8
135.04539	60.1
136.04869	2.0
137.02396	0.8
155.03508	1.4
161.02492	3.6
173.04539	9.8
179.03514	58.7
180.03827	2.7
191.05621	100.0
192.05942	3.5
197.06433	0.8
353.08765	14.4
354.09149	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0881
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
52.44803	0.6
59.01375	1.7
68.99183	3.5
68.99605	2.2
81.03496	0.5
84.64016	0.5
84.77687	0.5
85.02956	9.2
86.03333	0.5
87.00893	1.5
89.98609	0.5
93.03478	4.1
98.21815	1.2
107.05048	1.2
109.02974	1.2
111.04530	1.5
121.99712	0.6
123.04544	1.7
127.04047	2.6
133.02960	1.7
134.03761	5.3
135.04541	48.8
136.04907	1.9
153.05566	3.8
155.03545	1.5
161.02440	4.3
173.04567	3.7
179.03513	38.8
180.03893	2.3
191.05627	100.0
192.06020	4.3
266.02197	0.5
301.70401	0.6
353.08801	7.8
354.09134	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
60.66363	0.3
69.65459	0.4
71.01376	1.1
71.69498	0.4
85.02952	8.3
87.00858	1.8
93.03459	2.4
99.04541	0.4
109.02979	1.1
111.04491	0.8
127.04015	1.7
133.02954	1.2
135.04536	1.8
161.02444	1.7
171.03067	0.4
173.04578	1.3
173.74841	0.5
179.03545	1.6
191.05626	100.0
192.05992	4.3
353.08850	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0879
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
53.78490	0.4
54.48967	0.5
56.78538	0.3
59.01372	0.8
61.29364	0.4
62.50577	0.4
71.01391	0.6
73.02965	0.5
85.02959	8.6
87.00877	1.5
93.03466	2.5
109.02940	0.7
111.04523	0.9
111.95370	0.4
127.04024	2.0
133.02910	0.6
135.04561	0.6
161.02420	2.4
173.04575	1.3
179.03551	0.7
191.05623	100.0
192.05974	4.0
233.65907	0.4
353.08749	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18719	0.3
59.01388	0.6
63.96245	0.6
64.97021	0.7
70.74104	0.3
71.29942	0.5
79.95740	22.8
80.96522	9.1
81.03463	1.9
83.05021	0.4
85.02981	0.8
88.97036	6.1
92.89603	0.3
94.98101	1.4
96.95994	0.4
97.06616	0.7
99.04536	0.9
109.02974	0.3
125.02502	0.5
127.04037	1.0
147.01233	0.5
157.04994	0.3
161.99939	0.4
163.00690	1.6
166.06322	0.3
175.00717	0.3
177.02299	3.5
189.99409	0.4
191.00238	1.9
191.05664	5.9
192.05960	0.3
221.01257	100.0
222.01553	3.8
353.09122	18.2
354.09384	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69917	1.7
58.00603	1.7
59.01377	21.2
60.86253	1.5
69.03476	2.0
69.59435	1.5
70.39134	4.8
71.01392	20.1
73.02957	23.5
81.03448	2.7
83.05032	9.2
85.02953	5.4
89.02456	28.3
91.40806	1.3
91.57655	1.7
93.03467	54.7
99.00888	9.5
99.04536	6.3
101.02473	4.2
111.04544	21.3
113.02461	4.9
119.03484	3.4
137.02461	14.1
143.03465	4.7
155.03517	13.1
173.04567	100.0
174.04846	3.1
179.05612	4.9
353.10846	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69996	4.0
54.08003	3.4
57.55115	4.1
59.01376	22.8
59.35778	4.3
70.42508	7.3
71.01389	19.1
73.02946	22.4
83.05028	8.5
85.02962	13.5
89.02444	26.2
93.03450	54.0
98.16838	3.6
99.00874	7.6
99.04501	7.7
101.02454	8.4
111.04521	24.1
113.02451	5.1
118.76054	4.6
127.04096	3.6
135.04535	18.7
137.02457	14.7
143.03508	6.3
155.03477	15.2
173.04565	100.0
179.03493	17.5
179.05518	4.9
179.18237	3.9
191.05637	71.0
309.05969	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2125
Annotation	Guayulin B
Peak:m/z	Relative Intensity
79.95721	0.5
85.02953	0.4
96.96021	3.9
97.12064	0.3
98.22565	0.5
106.94833	0.3
107.05049	0.5
135.04544	0.9
147.08188	0.5
163.11301	100.0
164.11627	6.1
177.09224	72.9
178.09555	5.1
178.11018	0.4
179.03629	0.6
182.37296	0.3
191.05583	1.4
194.05891	0.6
199.32903	0.3
222.09018	0.6
223.09177	0.3
228.83638	0.3
248.51245	0.3
249.58046	0.3
301.76828	0.3
353.21234	85.8
354.21564	12.0
364.97614	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
68.71312	1.1
71.31874	1.3
71.32298	1.5
85.02964	1.0
125.09711	5.1
125.10519	1.3
127.11325	2.2
135.04573	5.0
143.01303	1.4
165.12935	2.5
170.05823	2.1
171.10283	100.0
172.10623	3.7
179.03523	2.8
179.10806	10.4
181.12360	30.5
182.12634	1.3
191.05620	7.4
195.10338	2.4
267.03735	1.1
335.22247	3.8
353.23233	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.0
57.03450	15.9
59.01098	6.0
59.01383	100.0
61.98841	5.3
70.78291	3.1
71.01392	41.1
71.11237	2.7
71.27505	3.2
73.02940	14.9
79.95734	6.7
80.96509	15.6
83.01394	3.5
85.02956	23.6
95.01377	3.3
97.06594	3.8
99.00887	7.9
101.02452	29.5
101.25468	2.9
102.49850	2.4
113.02470	23.9
120.79340	3.1
121.02970	4.3
125.02467	4.9
134.03770	7.8
137.49467	2.8
143.03545	3.5
147.25877	2.7
159.02986	8.4
160.01666	3.1
161.04562	100.0
178.06351	6.6
188.05661	9.9
191.05611	8.9
192.05972	7.4
193.05049	8.6
193.08743	25.2
247.57898	2.7
278.64130	3.3
295.08221	3.2
295.63943	2.8
307.04947	7.7
308.05219	30.1
309.04794	5.6
354.09338	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	15.9
59.01381	7.8
69.72798	4.6
71.01371	4.3
72.99302	1.9
73.59007	0.9
75.00879	2.2
83.01387	2.4
84.02151	1.8
85.02957	100.0
86.03297	2.0
87.00872	1.3
103.00360	1.7
111.00878	5.0
119.05022	3.3
129.01935	7.7
133.01416	1.3
134.03777	1.3
147.02998	11.2
147.81569	1.1
165.03319	0.9
167.80989	0.9
173.00920	1.4
183.26749	0.9
191.01997	22.0
191.05597	1.5
192.02209	1.7
209.03036	23.5
318.17349	1.1
366.95142	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.8
57.03447	13.0
59.01384	9.0
62.57413	1.1
63.20653	1.1
70.90081	3.2
71.01379	8.2
72.99294	3.2
75.00871	3.0
83.01398	1.8
84.02172	2.3
85.02957	100.0
86.03295	2.4
87.00869	2.1
89.02448	2.5
98.15163	1.0
101.02438	1.6
103.00389	2.1
108.27885	1.1
111.00916	5.4
119.04990	2.8
129.01987	6.0
133.01439	2.7
134.03751	48.0
135.04083	2.0
137.02473	2.7
147.03012	9.9
149.06104	13.7
173.00926	2.5
173.04630	1.8
178.02740	9.9
191.01984	29.8
193.05055	50.5
194.05428	2.3
209.03036	61.3
210.03339	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89724	0.9
55.01873	1.7
57.03452	13.7
59.01388	7.7
62.21201	1.0
69.79747	3.7
71.01391	9.9
72.99296	1.8
75.00874	2.6
83.01401	2.8
84.02165	2.1
85.02957	100.0
86.03308	1.9
86.17435	0.9
87.00908	2.2
88.22816	0.9
89.02427	2.7
98.22424	1.5
111.00905	4.3
115.00359	1.3
119.05036	2.3
129.01959	7.1
133.01408	2.6
134.03769	9.2
141.97565	1.0
147.03015	9.2
149.06064	3.4
163.03993	2.5
173.00951	2.0
178.02711	5.3
191.02011	30.6
193.05057	14.5
194.05463	1.1
209.03047	70.4
210.03432	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.2
59.01365	8.1
71.01374	6.2
71.29099	2.3
73.02950	5.2
74.33190	1.8
75.00855	4.0
79.95737	12.5
80.28481	2.0
80.96524	8.3
83.01384	2.2
85.02954	31.6
87.00895	3.9
88.97047	2.8
90.33834	1.8
93.03452	3.5
101.02422	2.2
109.02922	2.3
115.00355	9.3
115.29810	1.9
123.04529	2.5
134.03716	9.6
135.04524	3.2
147.02956	2.2
148.05315	2.0
163.00533	2.2
173.04562	3.9
174.01712	73.4
174.04845	2.6
175.02443	4.7
178.02733	2.5
179.03549	4.0
179.07182	4.1
191.02011	4.7
191.05630	8.6
192.05969	8.1
193.04819	4.5
193.06117	8.7
209.03049	6.3
209.08194	2.6
221.01262	46.3
237.07745	3.7
265.07153	9.3
292.67401	2.0
295.08215	16.6
355.10406	100.0
356.10791	8.2
364.90796	2.4
371.56183	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.8
59.01384	9.4
69.72743	0.9
69.73165	2.0
71.01395	1.0
83.05061	0.8
85.02956	5.9
93.03457	4.0
102.85176	0.4
111.04518	3.1
117.49369	0.6
119.05038	6.0
121.02965	100.0
122.03296	3.9
128.86934	0.5
129.02011	0.7
134.03741	2.9
149.06134	1.0
151.50925	0.6
155.03487	2.8
163.04056	1.0
173.04546	17.1
181.05081	65.9
182.05402	3.4
191.02008	1.3
191.05603	2.7
193.04854	2.7
209.03055	1.8
233.06775	0.8
286.26071	0.5
323.36932	0.6
342.35922	0.6
352.23282	0.5
355.10309	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1036
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
57.03453	0.8
67.42186	0.6
69.35603	5.6
71.01382	1.1
72.99347	0.8
81.46803	0.7
85.02950	5.8
133.02983	0.9
134.03749	100.0
135.04041	4.3
136.02803	0.6
137.02487	3.5
139.04030	1.3
149.06090	27.1
150.06445	1.6
178.02704	18.0
179.03119	0.9
191.01999	1.2
193.05063	99.6
194.05368	7.4
204.52827	0.8
209.02991	1.8
251.28497	0.8
307.82309	0.7
338.58688	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1037
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
59.01381	2.7
69.24689	3.9
69.25106	4.0
71.01385	2.0
77.27074	0.9
85.02977	0.9
89.02454	1.1
115.65694	1.0
121.02956	1.3
132.02222	3.6
133.02977	2.3
134.03754	68.8
135.04118	2.6
137.02466	10.4
137.32872	1.0
139.04025	1.7
149.06082	17.5
160.01671	19.1
175.04010	25.8
178.02734	38.2
179.03102	1.8
193.05064	100.0
194.05450	6.2
217.05043	1.0
219.25894	1.1
269.68274	1.1
342.88361	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1038
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
50.27135	0.8
57.03446	1.2
59.01387	11.6
69.25501	6.6
71.01393	5.1
76.35822	0.7
78.69799	0.9
85.02956	9.5
88.64855	0.8
89.02444	4.4
95.04969	1.0
101.02421	1.6
113.02477	2.8
119.05043	2.1
132.02184	15.7
134.03738	11.1
147.04526	1.0
149.06116	1.9
160.01674	68.4
161.02036	1.9
163.04034	2.2
175.04015	100.0
176.04361	6.7
178.02734	2.0
179.05573	1.1
191.02121	1.9
191.07138	1.7
193.05032	18.6
194.05373	0.9
207.06525	0.9
209.03136	1.9
209.06570	1.4
217.04988	4.2
235.06145	3.9
295.08154	1.5
355.10342	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1038
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
56.61020	0.7
57.03446	0.8
59.01392	1.3
62.45105	0.7
64.74078	0.8
69.24961	6.2
70.89749	0.6
71.01356	0.8
85.02959	3.6
87.98479	0.9
107.05074	0.8
107.39025	0.7
121.02990	2.9
133.02989	1.9
134.03757	72.6
135.04088	3.2
137.02449	9.0
139.04012	2.2
149.02428	4.9
149.06091	19.6
150.06564	1.0
160.01683	3.2
164.04771	6.3
175.04012	5.4
178.02725	38.1
179.03108	2.0
179.07159	3.2
184.69608	1.0
193.05066	100.0
194.05389	5.7
209.02985	0.8
309.34503	0.8
355.10452	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1189
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
53.74849	1.2
54.19640	1.2
68.99495	5.0
68.99917	6.2
72.96001	1.3
109.77205	1.1
119.05034	7.4
147.04547	14.4
149.02473	2.6
150.03247	1.5
161.05946	1.3
163.86507	1.3
164.04768	1.4
165.61560	1.3
169.20383	1.2
175.04016	100.0
176.04803	47.8
177.05200	1.8
189.05614	7.6
190.06352	27.5
191.06833	2.5
197.57307	1.6
204.04260	21.2
205.04660	2.0
207.16165	1.2
208.03770	22.2
217.05069	15.5
218.05881	15.0
219.06636	48.7
220.06970	3.7
222.05341	35.0
222.07504	1.6
231.06558	1.5
237.05414	2.7
239.52437	1.4
251.07246	1.3
257.70212	1.3
260.50485	1.2
261.53653	1.3
267.06589	3.9
279.06702	4.9
280.63638	1.2
294.09152	1.6
295.05893	6.9
296.06931	10.8
297.07437	1.7
307.06113	6.4
310.08499	2.5
311.09229	16.5
312.09857	2.4
322.08350	7.4
325.10727	2.5
327.12357	3.3
337.10928	3.4
340.09509	3.1
355.11893	96.4
356.12256	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51993	1.0
59.01352	1.0
69.13652	8.9
109.03005	1.0
127.99971	0.9
145.02946	1.9
150.03249	1.5
161.47928	1.1
165.05547	3.0
180.05774	1.7
181.06618	1.5
195.06586	1.4
196.05228	1.3
208.05264	1.0
209.06128	1.1
211.07619	2.8
218.19289	1.2
222.06770	1.6
223.07640	9.8
224.04739	5.1
224.07976	1.3
225.05569	7.5
237.05623	1.4
239.07156	5.1
250.06427	2.2
251.07138	9.7
252.07745	2.0
253.05072	2.2
254.09473	3.9
266.05865	3.9
267.06647	78.7
268.06921	7.4
269.08615	1.2
278.05765	3.3
279.06641	29.6
280.07306	10.9
281.08163	2.8
282.09012	9.4
284.10718	1.3
293.08209	3.2
294.08997	16.7
295.06155	100.0
296.06458	10.8
297.07748	2.3
308.06631	1.3
309.07712	10.4
310.08469	35.8
311.08914	3.3
312.10016	2.8
322.08759	1.1
323.09406	2.6
324.10034	16.5
325.07159	18.6
325.10843	54.1
326.07526	3.1
326.11203	5.8
337.11102	2.8
339.08771	7.2
340.09525	30.9
341.09879	4.2
355.11911	51.4
355.16385	2.4
356.12222	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1553
Annotation	Juglanin A
Peak:m/z	Relative Intensity
53.44202	0.7
55.79428	0.9
69.04993	5.7
77.54633	0.7
90.73946	0.9
91.91403	0.8
92.91656	0.8
108.02169	1.5
119.05038	1.0
122.34250	0.9
123.04552	2.5
136.82787	0.8
148.11761	1.0
160.05273	2.7
173.06090	2.1
174.03246	0.8
174.06886	1.2
175.07623	9.8
187.04079	1.6
201.05452	2.1
202.06352	6.1
204.62025	0.8
211.23383	0.9
226.02669	1.2
241.04962	1.4
254.09526	1.5
265.08582	1.1
267.06760	1.2
281.08173	2.0
282.08984	18.8
283.09354	2.2
293.08228	1.0
295.09552	1.1
297.11325	9.2
298.11597	1.5
309.07565	1.4
310.08463	9.4
311.09247	1.1
311.12955	1.5
312.13699	9.7
325.07047	1.3
325.10788	15.7
326.11182	1.9
339.12137	1.8
340.13171	84.0
341.13443	7.8
355.15527	100.0
355.24695	2.6
356.15869	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07111	2.0
54.42915	1.7
69.67886	9.7
98.21880	2.7
99.92590	45.7
100.92634	2.2
107.56273	2.1
115.92089	22.9
116.92870	100.0
117.92890	5.6
178.49057	2.2
239.35574	2.0
355.15887	35.2
355.20020	3.5
356.16168	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2282
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
58.17927	1.3
60.32932	1.1
63.26191	1.2
64.29084	1.2
69.11667	12.0
85.02949	4.0
90.94978	1.3
96.04678	1.1
105.30723	1.3
109.02931	2.0
111.00883	2.0
122.03750	9.0
135.04539	19.9
136.01622	1.3
136.97231	1.3
147.08180	1.5
149.09727	6.1
151.07709	2.1
154.02658	1.5
160.57397	1.2
161.09767	6.0
163.07689	1.8
163.11304	40.4
164.08443	9.9
164.11638	3.5
165.09229	7.3
177.09227	50.9
178.10023	15.8
179.10782	57.9
180.11183	3.0
183.10229	2.0
191.10799	11.1
193.08746	8.1
280.14755	2.3
298.12390	2.6
298.15765	52.6
299.15976	4.8
337.21744	43.0
338.21967	3.5
340.20438	73.9
341.20920	8.8
353.07965	1.6
355.22769	100.0
356.18985	2.8
356.23080	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2492
Annotation	2alpha,3alpha,4beta,15,16-Pentahydroxy-ent-cleroda-13Z-ene
Peak:m/z	Relative Intensity
57.03457	1.5
59.01366	0.9
66.62370	0.5
68.30760	0.6
69.14209	4.5
81.90135	0.8
86.92599	0.6
87.04525	0.7
90.84475	0.6
96.81903	0.6
97.06598	1.3
123.08166	0.8
127.11356	0.7
139.11288	3.4
141.12854	1.4
171.13864	0.8
199.13472	1.3
211.98282	0.7
225.15054	0.8
227.16713	0.8
239.16678	0.8
253.01595	0.6
265.17865	0.8
282.05331	0.9
295.22925	3.4
297.07724	1.7
307.22791	1.7
310.04895	0.9
311.26044	2.1
312.26599	0.7
319.22647	1.0
325.07147	3.9
325.20920	0.5
325.23853	20.4
326.24185	2.4
337.23743	2.9
340.09421	2.0
355.11862	2.4
355.24924	100.0
356.25183	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2856
Annotation	2-Monoolein
Peak:m/z	Relative Intensity
67.50133	3.0
71.00854	7.0
71.34490	2.5
73.08025	2.8
85.02962	3.3
101.28059	2.6
106.72546	2.3
191.02202	2.4
197.53014	2.6
293.28464	61.6
294.28897	8.1
337.27347	18.6
355.28586	100.0
356.28949	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.3219
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
50.70752	0.4
62.23893	0.4
69.19899	2.1
69.20301	0.8
98.22527	0.7
110.50716	0.4
128.09590	0.3
191.68703	0.4
197.38966	0.4
279.26874	0.5
309.31586	4.4
337.31161	0.9
353.30618	1.2
355.32181	100.0
356.32538	13.6
356.36029	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0989
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
57.03438	0.6
57.64863	0.5
59.01387	3.0
59.31598	0.4
69.21042	4.3
71.01385	2.3
85.02945	2.0
89.02459	0.6
98.21786	0.8
101.02493	0.6
104.05073	0.9
106.06634	100.0
107.06960	3.1
113.02452	2.0
118.06595	2.4
120.08176	0.6
123.04567	0.6
130.08720	0.5
140.30605	0.5
146.06221	1.0
150.05618	81.2
151.04062	0.5
151.05948	2.8
151.07680	0.7
164.07176	12.7
170.92395	0.5
192.06689	10.6
193.07033	0.5
194.04591	12.1
233.34976	0.5
236.05673	1.5
237.04031	1.7
267.05005	0.6
269.05215	0.5
296.07831	1.8
307.09232	0.5
341.09854	0.9
356.09552	4.6
356.18137	0.8
357.18643	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74841	2.7
59.01388	22.1
69.57487	11.1
69.57903	7.6
71.01370	10.9
85.02950	9.6
87.00895	3.4
89.02449	9.3
93.03454	3.6
101.02452	12.3
106.72249	2.9
109.44578	3.3
113.02456	6.5
113.04697	3.1
115.00410	7.0
119.05041	6.0
125.86942	2.6
133.06621	5.2
139.00354	4.1
140.44341	3.2
147.04526	4.9
149.06105	3.0
151.04065	3.6
157.01463	5.4
161.06255	3.9
170.03940	2.9
175.02477	9.5
177.05592	9.3
179.03529	4.4
180.04286	100.0
192.06616	3.5
193.05099	3.3
195.06636	91.7
203.07162	5.3
217.05101	4.9
221.04532	32.1
221.19106	2.8
242.64778	2.9
252.17363	2.7
261.04141	18.4
263.59735	3.2
303.05154	9.6
321.05981	21.8
327.12253	3.8
356.20822	5.2
357.03574	4.3
357.11847	12.5
360.81769	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47504	12.0
52.51036	11.6
60.06775	14.4
61.98824	27.9
69.20074	100.0
121.02958	20.6
283.19955	13.7
355.97351	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.9
59.01385	20.8
60.73126	0.7
67.36893	0.8
71.01380	4.6
72.99310	1.9
73.02969	0.9
75.00878	31.9
76.01192	0.9
76.58671	0.8
85.02956	8.5
86.03322	1.8
86.14433	0.7
87.00884	3.6
87.03378	1.0
89.02461	2.9
93.03474	3.8
98.21745	1.8
99.00891	3.3
101.02431	1.9
108.02199	1.4
111.00892	2.4
113.02426	1.1
123.61428	0.8
129.01949	11.9
133.06589	1.4
134.03723	2.6
135.04535	60.5
136.04900	2.3
137.02480	1.3
141.01913	1.7
150.06870	7.2
151.03989	1.1
151.07268	0.8
159.02988	7.0
161.02452	3.0
177.04065	1.5
177.05495	1.4
179.03513	7.6
191.05598	1.3
193.02292	0.8
195.05107	100.0
195.06488	4.1
196.05453	3.9
211.03453	2.0
222.36559	0.8
357.08228	4.6
357.12003	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51563	2.6
57.03447	2.9
59.01373	10.1
61.98837	100.0
70.83738	5.0
71.01370	9.8
75.23906	2.7
83.01411	2.7
85.02938	6.8
87.00865	4.3
87.85534	2.4
89.02460	4.2
93.03456	5.4
96.36976	2.6
101.02457	6.0
108.02168	28.7
113.02460	3.3
114.45461	3.0
115.00340	3.8
119.05017	4.2
119.36355	2.8
123.04503	19.5
134.03755	2.8
136.01746	3.7
139.00320	3.9
147.04510	3.2
147.11475	2.7
151.04012	8.1
157.01482	4.3
175.02440	5.3
177.05638	5.1
180.04288	91.4
189.92699	2.6
192.06656	6.2
195.06647	79.2
196.06975	5.6
217.05034	3.9
221.04549	15.4
261.04065	6.5
274.86142	3.1
321.06216	7.5
357.12817	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1193
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
57.03442	2.2
58.00586	4.0
59.01371	8.0
71.01367	7.4
71.29246	1.1
71.29601	2.5
73.02966	2.4
81.01198	1.3
82.74374	1.1
85.02962	5.7
87.00864	7.0
93.03449	2.8
95.01434	1.3
97.06612	3.7
101.02471	3.8
108.02207	1.4
111.00890	2.9
113.02437	2.5
117.03502	2.2
119.04974	3.4
121.02968	21.3
122.03204	2.4
123.03440	2.8
123.04539	2.9
124.01620	1.2
134.03749	2.2
134.06100	1.4
136.01701	3.0
137.02438	4.1
145.02986	8.1
146.03687	1.8
149.02458	43.4
150.03242	49.9
150.06892	2.2
151.03902	5.9
159.06612	1.5
161.02467	8.1
161.04543	2.8
162.03258	8.3
163.03966	2.4
164.01149	3.8
164.04823	20.8
165.01944	8.7
165.05582	100.0
166.05930	5.2
173.04535	2.6
173.46555	1.2
175.05118	2.4
177.01910	4.3
177.05582	4.4
178.13251	1.4
179.03484	25.7
180.04301	28.4
181.05037	5.5
183.05623	2.5
193.04993	2.6
194.05766	6.9
195.02974	3.8
195.06654	73.5
196.06993	3.0
292.72992	1.2
315.55499	1.3
327.11020	2.3
357.11642	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45704	0.8
57.03425	1.3
59.01383	27.1
61.98837	0.9
69.67073	4.9
71.01376	3.1
72.97528	1.5
85.02951	4.9
89.02444	1.1
93.03467	4.2
98.21870	1.0
99.92574	2.3
100.00443	0.9
101.02476	1.0
102.54551	0.9
108.02166	2.8
115.92104	1.5
116.92826	1.4
117.03439	1.0
119.04961	1.7
123.00920	0.9
123.04521	1.2
134.03717	2.5
135.04536	100.0
136.04880	3.5
150.06863	16.2
150.22058	0.8
151.07561	1.1
161.04453	1.6
193.05185	1.5
195.06799	4.1
210.97043	2.3
211.03510	1.4
300.04590	0.9
357.00565	3.7
357.11923	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1194
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
56.23077	0.4
59.01386	2.1
69.15218	3.2
71.01379	1.9
76.55045	0.3
77.26456	0.4
82.81345	0.4
83.01372	0.5
85.02937	0.6
87.00887	0.4
89.02447	1.1
99.00813	0.5
101.02442	0.9
109.02951	0.5
113.02394	0.4
115.00359	0.5
118.28746	0.4
119.04979	0.6
123.04539	0.5
133.06580	0.4
134.03801	0.7
135.04498	0.4
139.00369	0.7
145.02966	0.7
147.04601	0.7
149.06096	0.7
151.00410	0.7
151.03995	1.5
152.04822	1.0
152.07188	0.7
161.06068	0.7
175.02440	1.1
177.05563	1.8
179.03490	2.4
180.04291	100.0
181.04617	5.5
192.06680	0.9
194.05879	0.6
195.06635	91.6
196.06961	5.6
221.04593	3.2
221.06430	0.6
236.89647	0.4
251.07123	0.7
261.04153	1.8
279.06631	0.5
303.05212	0.7
321.06247	2.8
357.11963	14.2
358.12372	1.6
382.07434	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28886	0.7
59.01385	22.2
59.22886	0.7
69.30658	1.9
69.31084	2.6
71.01379	1.0
97.02967	0.8
98.21856	1.1
105.32446	0.7
107.83134	0.7
108.02189	2.5
109.02973	3.1
109.18452	0.6
113.02450	1.0
119.05028	2.5
121.02952	2.3
123.04527	4.4
124.01658	2.0
125.02483	1.6
133.06593	2.5
134.03738	1.2
135.04556	9.3
136.05307	11.4
149.02338	1.1
150.03256	0.8
151.04024	3.9
151.07626	3.1
162.03241	2.5
165.02039	1.1
177.05559	3.3
195.06644	100.0
196.07002	6.1
205.04961	0.7
245.08272	0.9
289.07184	6.7
355.82568	0.7
357.11896	8.1
358.12604	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1194
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
55.01873	4.2
57.03445	3.1
58.00591	10.4
59.01093	3.6
59.01381	68.4
60.01693	1.6
68.20879	1.7
69.59239	11.2
71.01385	62.1
72.99298	5.0
73.02944	8.4
75.00834	2.0
83.01391	6.3
85.02958	21.5
87.00880	29.7
89.02448	37.0
95.01379	4.7
98.22381	3.0
99.00918	4.3
101.02449	37.7
104.76926	1.7
108.02217	3.5
111.30398	1.6
113.02464	22.2
117.03452	9.2
119.03508	25.7
119.05080	3.0
120.05386	1.8
121.02969	22.5
122.03708	8.5
123.04538	4.5
129.01949	3.8
133.02945	3.1
134.03751	2.1
143.03456	3.6
145.02965	35.4
146.03714	7.1
147.04517	8.7
149.02411	6.2
149.06075	6.2
150.03265	9.9
150.06868	2.3
161.02463	30.2
161.04568	4.7
162.03242	40.0
163.03914	6.1
164.04730	3.2
165.01920	2.0
165.05573	21.5
171.50467	1.9
173.04572	2.1
177.05598	38.2
179.03554	5.0
179.05615	6.3
179.07190	2.0
179.29056	1.9
180.04309	47.5
181.04958	6.4
182.05380	4.4
183.05634	3.2
193.05090	1.8
195.06648	100.0
196.06979	5.4
267.08737	2.5
341.12933	1.9
357.07880	3.0
357.11938	37.0
358.12305	3.8
379.32794	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32216	1.1
57.03435	1.3
58.00600	1.2
59.01384	42.6
69.37364	6.6
71.01034	1.5
71.01390	22.1
72.99301	1.7
74.52962	1.0
82.93273	0.9
85.02969	5.2
89.02448	20.6
95.01409	1.8
98.22513	2.1
101.02456	12.0
109.02956	1.8
113.02460	6.4
119.03526	9.3
123.04523	2.3
125.02412	1.4
130.96205	1.0
134.03732	1.7
135.04539	2.7
136.05276	1.1
149.02469	1.4
151.04030	2.6
161.02448	1.3
162.03241	72.2
163.03827	5.5
177.05582	100.0
178.05867	6.1
180.04256	1.9
182.84457	0.9
195.06627	26.9
196.07013	1.6
242.60419	1.1
245.08296	1.8
289.07242	5.1
376.68085	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1346
Annotation	Denudanolide B
Peak:m/z	Relative Intensity
53.06393	1.0
53.42720	1.1
59.01373	4.6
71.04518	2.8
73.02952	4.8
93.03470	8.9
104.05239	1.3
104.90889	1.3
108.02194	3.3
109.02928	7.2
121.02966	71.8
122.03239	1.3
123.04518	3.0
134.03752	8.2
135.04535	45.3
136.04817	1.7
137.06108	5.5
145.03021	6.2
146.03790	1.6
147.04555	5.5
149.06113	1.6
161.06085	1.8
220.07344	1.5
223.07700	2.5
225.05571	1.9
226.06161	2.0
227.47371	1.3
237.05698	1.4
237.09280	1.9
239.07185	4.7
240.07903	3.6
250.06383	2.2
251.07109	6.1
253.05011	2.9
254.05786	6.7
256.66446	1.5
265.08719	4.6
267.06604	8.8
268.07452	41.3
269.08105	7.5
271.09778	5.8
282.09036	4.9
282.99301	1.3
283.09790	72.9
284.10135	6.7
295.06015	1.5
297.11331	18.8
298.12015	5.9
313.14462	2.4
325.10822	82.2
326.11084	9.4
327.08801	3.7
339.12457	1.8
341.10324	3.0
342.11130	7.8
357.05957	3.7
357.13467	100.0
358.13824	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
61.98823	0.7
67.01878	1.8
71.31993	0.7
74.40904	0.6
81.52766	0.7
92.32227	0.8
95.01390	3.6
97.06597	0.8
107.01353	0.8
108.02174	6.5
109.02963	18.2
109.03698	1.1
111.00892	6.7
121.02972	100.0
122.03243	4.1
123.00900	22.1
123.04506	2.6
124.01701	15.6
125.02449	1.0
132.04568	2.4
136.01669	1.5
136.07726	3.9
137.02492	1.0
138.03250	1.6
139.00424	1.2
143.05029	3.0
146.03740	2.4
147.04550	1.0
151.03975	1.6
159.04523	3.3
160.05293	2.3
161.06099	22.4
162.06686	1.7
163.04037	11.5
164.04582	0.9
165.01941	1.4
173.06082	0.8
174.06775	1.3
175.04041	1.8
176.08432	2.4
177.05591	2.9
180.05791	2.1
181.06609	6.9
187.04037	5.4
188.04776	8.2
188.94096	1.0
189.05559	3.3
190.06377	1.2
192.03922	0.8
201.05513	1.0
202.06392	19.6
203.07011	3.3
225.05595	6.7
226.05803	0.8
233.08580	0.7
279.06509	0.8
291.06723	1.2
293.30676	0.9
297.07776	2.2
299.09113	4.0
311.09433	2.3
312.10040	14.6
313.07159	8.5
313.10529	2.4
324.10110	1.8
325.11722	1.2
327.08762	5.5
327.12354	49.5
328.12723	5.6
341.10657	1.1
342.11111	16.9
343.11426	1.4
345.56311	0.8
357.06497	27.8
357.13431	97.3
357.26443	1.9
358.06418	3.5
358.13733	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1347
Annotation	Negundin B
Peak:m/z	Relative Intensity
55.01880	2.2
58.94264	1.0
59.29135	1.1
67.01884	3.8
69.06067	11.4
77.24367	1.0
83.01395	49.0
92.77253	1.0
95.01398	1.6
102.16196	1.1
108.02184	8.3
109.02983	1.4
111.00846	2.1
121.02962	8.3
122.03758	10.6
123.00905	26.5
123.04552	13.0
125.02457	3.9
133.06703	1.0
134.03751	4.5
135.04518	1.7
136.05304	1.6
137.02457	3.0
137.06081	7.1
138.03246	13.6
146.03752	22.9
147.04575	5.4
149.06096	1.7
151.04094	1.1
154.02777	1.1
161.02382	1.3
161.06102	9.7
162.03241	29.3
162.06824	1.2
163.03960	3.5
164.04819	15.5
171.10318	1.6
177.05603	25.3
178.05939	1.7
178.35887	1.1
179.07158	21.4
206.37520	1.2
209.08202	2.2
221.08276	5.2
233.08214	4.5
263.33014	1.0
267.65430	1.0
285.94403	1.0
297.24210	1.5
309.24353	2.8
313.14450	3.6
327.12320	3.7
327.25354	18.7
328.25681	1.9
339.12363	1.4
339.25415	3.6
342.11115	5.3
357.13486	65.2
357.26477	100.0
358.13797	8.7
358.26828	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42003	1.1
54.97056	1.2
55.01873	7.1
57.03433	4.2
58.00583	2.3
59.01386	41.1
68.41869	1.3
69.00520	14.8
71.01392	48.6
72.01740	1.3
72.99305	2.8
73.02949	18.5
73.64630	1.2
75.00851	1.6
78.58582	1.2
81.92833	1.2
83.01387	11.4
85.02962	26.2
86.00102	2.6
87.00876	2.6
89.02464	8.9
95.01392	6.3
99.00889	7.2
101.02453	39.2
106.12579	1.3
108.34014	1.1
108.49709	1.3
113.02460	18.0
119.03531	2.6
119.05001	1.4
121.02956	9.5
123.19935	1.3
124.23175	1.2
125.02395	2.0
135.04536	5.7
159.03020	2.3
161.04536	5.5
165.09143	1.4
180.06343	2.6
180.07941	54.1
181.08513	4.1
195.06538	2.4
195.10277	72.4
196.10585	3.9
237.11319	1.3
265.10614	1.2
275.67429	1.2
298.30197	1.4
325.15753	1.3
338.28262	1.5
357.15588	100.0
358.15961	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2649
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
54.28477	0.3
57.03453	0.6
59.01375	0.4
71.31725	0.4
71.32113	0.5
76.41489	0.3
87.04492	0.4
90.96556	0.3
139.11290	1.4
141.12874	0.6
155.18889	0.3
169.12302	0.5
171.10342	0.6
185.11827	5.5
186.12129	0.5
275.32687	0.3
282.67004	0.3
297.24365	3.3
309.24384	2.5
311.25833	0.8
313.27521	0.8
321.24393	0.6
325.23822	1.6
327.25427	20.7
328.25879	2.2
339.25372	3.6
340.25748	0.4
355.24988	1.5
357.26492	100.0
358.26837	12.3
367.67050	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2649
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
59.01368	2.9
61.98815	0.8
70.86316	0.8
71.32190	0.9
79.05524	1.1
88.55212	0.7
95.05022	2.0
97.06596	18.5
98.06925	0.9
116.66247	0.7
121.02952	1.3
199.13416	0.9
241.18109	29.4
242.18483	2.2
255.19817	0.9
297.24466	1.4
309.24289	0.9
327.25433	9.3
328.25986	1.4
339.25421	1.2
357.26492	100.0
358.26785	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
67.44193	0.3
71.05011	0.4
71.32175	0.5
86.46213	0.3
95.29981	0.3
97.06591	0.4
107.75098	0.3
137.92734	0.3
139.11264	0.7
141.12865	0.8
153.70152	0.4
155.14258	0.3
157.12334	0.5
171.10217	0.6
180.78854	0.4
182.54927	0.3
185.11848	4.7
199.13434	0.9
242.52316	0.4
295.22470	0.3
297.24359	2.0
309.24313	2.6
311.22342	0.9
311.25653	0.4
321.24530	0.5
325.23932	1.4
327.25418	16.7
328.25803	1.5
339.25394	4.3
340.25772	0.6
355.24857	1.0
357.26474	100.0
358.26804	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3014
Annotation	1,2-O-(2'-hydroxyoctadecyl)-glycerol
Peak:m/z	Relative Intensity
57.03456	0.6
59.01384	1.4
61.09283	0.5
63.91522	0.5
69.03471	3.1
69.03786	0.5
70.86988	0.9
71.05027	14.7
73.02947	1.6
83.05023	0.6
83.95396	0.5
85.06598	20.5
99.08165	0.7
121.02995	0.7
121.38897	0.6
124.57891	0.5
140.58185	0.5
145.21788	0.5
183.17458	0.7
211.20732	5.0
225.18668	0.6
237.22289	3.8
239.20166	3.2
249.48541	0.6
255.23351	1.5
293.28464	2.9
295.26529	3.1
297.24399	2.7
297.28070	5.2
311.29578	1.8
313.31052	1.0
339.29034	9.6
340.29309	0.8
357.26566	3.9
357.30142	100.0
358.26456	0.7
358.30469	12.5
365.17575	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05938	4.4
59.01382	9.0
62.83569	5.7
71.01370	5.7
71.32487	8.7
77.02356	6.5
77.73336	5.9
80.40304	5.3
91.58737	5.0
106.29162	5.5
123.04568	6.5
163.04907	5.3
358.13632	5.7
359.15259	11.0
359.24234	25.8
359.28088	100.0
376.27832	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60176	0.7
59.01384	95.8
60.01718	0.9
61.98841	1.4
69.63411	0.6
71.27209	0.8
72.99322	1.0
90.97134	0.9
103.01496	0.7
117.00492	0.7
118.96603	0.9
123.94692	0.8
126.20032	0.7
127.74432	0.8
132.98221	1.9
134.97054	0.8
138.03960	0.7
139.01778	0.7
145.00023	0.7
157.03612	2.3
159.01529	2.4
171.97247	0.8
174.97707	1.3
174.99255	25.3
194.50661	0.7
201.02565	23.9
202.02756	2.3
217.00313	100.0
218.00665	2.8
262.26700	0.8
274.99548	1.8
276.98190	1.2
317.00555	4.4
318.00720	1.5
359.01666	8.2
360.01959	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84277	0.6
57.03450	3.0
59.01093	0.9
59.01382	18.9
60.58838	0.5
62.13052	0.6
65.00335	3.0
67.01905	1.7
68.94659	0.5
68.99813	2.8
69.03452	0.9
71.01385	3.7
71.29884	0.7
78.91891	2.3
81.03453	2.8
83.01389	15.7
85.02945	2.0
87.00873	1.0
90.51771	0.6
93.03463	3.0
97.02941	0.9
98.06154	0.6
99.01032	0.6
101.02437	1.4
107.01414	3.3
109.02960	10.8
111.00848	1.4
113.82468	0.6
117.03478	1.9
119.05043	10.3
121.03013	3.5
123.00883	2.7
123.04562	1.4
124.04055	5.7
125.02457	40.0
126.02827	0.9
133.02972	0.8
134.03763	1.1
135.04544	6.8
137.02444	1.9
138.03226	2.7
139.04019	2.7
145.02969	3.6
149.02444	4.7
149.06082	0.9
151.00380	15.4
151.03973	1.5
152.01044	0.7
153.01952	100.0
153.05554	2.4
154.02316	3.9
163.04045	5.1
164.04839	3.1
166.99736	1.3
167.03488	4.8
169.01472	0.8
173.04604	3.0
174.99275	2.9
177.02002	3.2
178.99889	4.8
179.03526	1.2
179.07164	2.1
182.02251	3.4
185.02171	7.6
190.30443	0.6
191.05687	0.7
195.03017	1.9
197.00935	0.8
197.04572	11.3
197.08241	1.3
201.02614	4.7
217.00307	17.4
236.31880	0.7
239.05678	0.8
257.07843	6.4
287.07874	1.1
315.07291	6.7
316.07681	1.2
341.04987	1.1
359.06705	12.4
359.10837	2.9
360.07672	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0984
Annotation	Glucosyringic acid
Peak:m/z	Relative Intensity
53.78973	0.5
54.41605	0.6
58.20996	0.7
59.01374	0.8
59.05016	0.6
69.65793	2.7
71.01389	1.3
76.13542	0.5
85.02925	0.9
95.01407	3.2
109.02952	1.1
123.00896	45.1
124.01205	1.8
135.04532	0.6
137.02437	1.2
138.03239	50.5
139.03568	2.1
140.73888	0.5
153.05586	18.4
164.04797	1.4
166.99866	13.6
168.00388	0.7
179.07114	1.1
182.02223	41.0
183.02576	1.8
197.04561	100.0
198.04871	5.2
239.05644	1.1
306.16122	0.7
339.87280	0.5
351.93164	0.5
359.09982	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0984
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
50.15158	0.4
51.25057	0.5
53.21276	0.4
55.51673	0.4
59.01367	1.9
59.84346	0.5
63.30513	0.5
64.65125	0.4
67.01891	0.5
71.01371	2.0
71.29179	0.6
73.02943	0.9
73.14034	0.5
75.00879	0.6
85.02962	1.6
89.02464	1.0
93.03458	1.5
95.01398	4.3
101.02446	1.0
102.35134	0.5
103.89236	0.5
111.00893	0.6
111.04477	0.5
123.00896	46.4
123.04541	1.2
124.01248	1.9
125.99628	0.4
134.03818	0.6
135.04529	4.2
135.98163	0.5
137.02451	1.8
138.03241	53.3
139.03574	2.9
146.04633	0.8
147.62852	0.5
153.01953	1.8
153.05582	20.7
154.05942	0.8
155.03493	0.6
164.04875	1.1
166.99860	13.1
168.00159	0.6
173.04550	2.5
179.03467	1.2
179.07117	0.7
182.02235	41.4
183.02562	1.7
191.05649	2.3
197.04568	100.0
198.04909	5.1
239.05598	0.9
257.07983	1.0
285.11407	0.7
323.09930	1.3
359.09824	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0988
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
59.01382	7.8
63.74662	0.9
65.80316	0.7
69.26617	1.3
69.27023	4.1
71.01390	3.6
72.99303	0.7
76.06665	0.8
85.02948	3.0
89.02454	2.6
93.03466	1.0
97.02945	1.3
97.60128	0.9
98.21819	1.4
99.04547	1.2
101.02451	2.2
107.08672	0.9
109.02978	1.2
111.04502	0.9
113.02468	2.6
115.43996	0.7
119.03489	1.1
120.99683	1.0
123.00897	5.9
133.10255	1.2
135.08185	2.5
139.00378	1.8
141.01924	0.9
153.01991	1.5
153.09225	43.2
154.09575	2.2
166.99876	13.7
173.04594	1.5
177.09183	0.7
179.07076	1.4
181.01521	2.8
182.02235	100.0
183.02588	3.7
195.10254	1.3
196.03935	0.9
197.04575	93.9
197.08218	29.4
198.04956	4.7
198.08572	1.7
220.97607	0.7
239.09294	2.4
268.07303	0.8
271.15201	0.7
285.11380	1.2
344.12619	1.1
359.09891	11.2
359.14792	2.2
360.10342	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57589	1.2
51.15179	1.1
53.29421	1.2
58.80760	1.1
59.01385	38.8
64.86987	1.2
70.55195	2.1
70.55511	1.8
96.96053	1.7
108.02185	6.1
111.00871	1.5
119.35699	1.2
123.00900	3.7
123.04504	2.3
124.01678	2.2
132.02176	4.5
134.03754	100.0
135.04117	4.7
137.59911	1.2
147.00896	5.5
148.01704	2.8
149.06094	91.0
150.06464	4.8
160.01662	13.6
162.03275	7.5
163.04013	1.7
175.04022	24.7
176.04382	1.9
213.05559	1.4
217.00304	2.2
225.05621	2.6
227.07286	1.9
229.05168	2.1
240.07906	2.8
241.05072	2.8
256.07434	4.7
267.06738	1.7
268.07266	1.3
269.04480	5.0
271.09741	5.3
283.06177	2.1
284.06909	5.6
285.07144	1.2
299.09271	46.8
300.09534	6.1
359.11353	24.0
359.15179	5.7
360.11664	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.9
59.01383	100.0
68.31519	4.0
69.53165	14.7
69.53593	13.0
71.01384	62.3
72.35917	4.6
72.79781	4.4
73.02965	5.6
74.53938	4.4
75.92412	4.7
76.17277	4.0
85.02940	21.6
89.02448	61.0
95.01388	4.7
101.02450	36.3
113.02470	25.3
114.14756	4.6
119.03544	24.1
119.05026	22.6
122.03769	7.3
131.03484	6.9
143.03488	7.8
146.03706	6.4
163.04047	4.5
179.05721	5.2
179.07196	16.0
182.05858	15.7
197.08192	45.6
299.11441	13.3
327.10809	9.4
359.08325	5.4
359.13498	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1352
Annotation	Semperoside
Peak:m/z	Relative Intensity
59.01386	24.2
63.44218	1.6
68.48280	1.4
69.23145	13.0
71.01392	13.7
71.05002	2.4
74.03931	1.6
74.16929	1.8
75.21835	1.3
83.05032	1.7
84.32730	1.4
85.02965	6.9
89.02461	9.3
98.21813	3.3
101.02441	5.3
101.43993	1.7
104.43451	1.7
105.85926	1.7
107.08736	1.9
109.02956	2.5
111.04532	1.7
113.02474	7.2
119.03555	3.0
127.78400	1.6
133.10245	2.8
135.08197	4.9
136.01649	3.0
151.04042	6.0
153.09229	100.0
153.32858	1.7
154.09610	5.4
159.04578	3.2
167.10773	1.8
179.07149	2.8
186.37631	1.5
195.10298	1.9
197.08206	84.9
197.65590	1.8
198.08534	5.9
239.09232	4.4
262.77640	1.5
281.42361	1.6
314.11411	1.6
315.12363	2.3
329.13995	2.9
344.12637	2.7
359.15045	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.135
Annotation	Semperoside
Peak:m/z	Relative Intensity
50.96824	2.1
51.01252	1.7
59.01382	22.8
71.01393	12.2
85.02938	4.1
89.02443	8.5
97.02947	2.5
97.88914	1.9
98.22648	4.3
101.02448	6.5
113.02453	7.7
119.03510	4.1
133.10158	3.0
135.08134	6.6
142.18721	1.9
145.44630	2.0
153.09224	100.0
154.09547	5.7
154.10794	2.0
185.07816	1.8
195.10258	2.3
197.08199	77.9
198.08563	5.2
239.09279	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27477	1.2
54.15897	1.1
59.01387	7.6
64.75684	1.4
70.61092	3.2
71.01383	9.3
73.02971	1.3
85.02963	5.2
87.00893	11.7
89.02451	1.7
93.03487	2.5
99.00887	1.2
101.02430	5.5
108.02153	1.3
108.28860	1.1
113.02486	3.2
117.03489	1.9
119.05042	10.1
121.02950	10.1
123.00890	3.2
124.30098	1.0
134.03735	1.0
135.04565	3.2
135.08101	0.9
138.03253	1.9
145.02986	2.8
149.02446	5.4
151.23268	1.0
153.05591	1.5
161.04605	1.4
161.05978	1.0
163.04019	41.4
164.04805	87.1
165.05150	4.6
173.04587	3.7
178.06367	10.0
179.07146	100.0
180.07539	5.4
182.02249	3.3
185.02177	5.2
191.05638	1.6
197.04558	7.0
217.00325	3.4
245.02924	1.1
359.07501	10.5
360.07959	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.1
59.01377	24.2
61.15950	1.5
61.47736	1.4
63.76539	1.4
66.03548	1.4
69.37209	10.0
71.01395	11.0
72.99265	1.5
83.72389	1.5
85.02966	6.5
85.54518	1.3
87.04501	1.4
89.02447	9.4
93.03463	1.7
93.23768	1.4
95.01387	1.8
100.98449	1.6
101.02457	5.7
107.08704	1.5
109.02953	1.9
109.06580	2.2
113.02463	6.3
119.03560	2.2
121.02941	2.5
133.10254	2.3
135.08170	8.9
149.09773	1.8
153.09224	100.0
154.09564	5.4
167.10818	3.6
179.07104	1.9
182.63219	1.8
194.41835	1.5
195.10320	5.1
197.08208	76.4
198.08640	3.6
255.06590	2.1
314.08133	2.4
317.19528	3.3
326.72372	1.8
329.10321	8.3
359.14755	4.7
359.20911	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
56.28516	1.3
57.03469	2.0
58.00581	3.0
59.01093	2.9
59.01384	46.3
60.74022	1.4
69.03455	2.0
71.01389	21.8
71.05010	3.3
71.31109	2.1
72.99312	2.8
73.02946	4.1
75.00891	1.6
77.03265	1.7
83.01379	2.3
85.02960	16.1
87.00868	2.4
87.04497	4.9
89.02449	11.5
93.03461	2.6
95.01395	2.7
96.96029	2.5
97.02962	2.7
98.74548	1.4
99.04514	3.9
101.02448	10.3
108.02160	3.1
109.02960	27.8
109.06602	2.8
111.04511	2.9
113.02449	13.1
115.00371	4.3
119.03503	3.5
120.99641	4.8
123.04498	2.2
133.10236	6.7
135.08154	6.3
137.02460	1.9
145.02954	3.3
149.09698	4.3
151.11311	2.4
152.03560	4.0
153.09224	100.0
154.09569	4.9
159.04535	12.3
161.06099	2.7
167.10820	2.1
171.04565	1.9
173.04707	2.7
173.06035	8.7
175.02470	6.5
175.03934	3.1
179.07175	3.1
182.02245	1.7
189.05618	9.2
191.05588	4.2
191.07193	2.8
195.10281	5.3
197.08206	70.9
198.08536	4.3
201.05469	1.6
203.07162	5.1
208.97588	1.8
212.58882	1.7
213.05641	3.3
217.05013	2.2
221.04787	2.1
225.05534	2.3
239.09140	4.1
240.04344	4.8
241.05074	19.6
251.07167	2.0
255.06593	11.9
256.07138	1.7
261.03995	5.1
267.06744	4.4
269.08121	4.2
270.12158	1.5
271.17398	3.6
277.07486	1.9
277.78458	1.4
281.08221	1.8
295.09906	1.6
298.08423	1.9
299.09253	10.9
303.05344	2.7
311.09344	2.0
313.10748	12.4
315.13336	2.9
317.19748	4.7
321.06195	4.8
323.18704	2.2
329.10272	5.4
331.71652	1.5
343.11990	5.1
344.12631	45.9
344.16620	3.1
345.12656	3.6
359.15005	69.0
359.20670	14.2
360.15491	9.7
378.39670	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.135
Annotation	Semperoside
Peak:m/z	Relative Intensity
56.55446	1.1
59.01134	1.5
59.01384	15.5
61.34444	1.0
62.55001	1.1
69.15891	3.1
69.16299	5.4
71.01386	10.8
72.99298	2.0
85.02953	2.2
89.02449	6.5
101.02446	4.6
107.08669	1.3
111.04542	1.9
113.02453	5.9
119.03535	3.2
123.00848	5.4
124.49599	1.0
132.41760	1.1
133.10217	1.8
135.08147	3.3
139.00403	2.1
153.01970	1.9
153.09227	100.0
154.09500	5.0
166.99870	11.7
172.86432	1.0
181.01433	2.1
182.02220	82.9
183.02524	4.2
195.10315	2.3
197.04562	84.3
197.08203	64.9
197.10083	1.9
198.04909	4.0
198.08508	3.3
217.24692	1.3
239.09297	1.9
359.09851	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.15
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
50.44271	0.7
54.89560	0.7
57.19012	0.7
59.01376	1.4
63.52167	0.7
68.99809	1.1
69.03441	0.9
71.01395	1.0
72.99299	0.9
97.02962	4.3
98.22647	1.6
109.02962	4.0
110.00105	0.8
111.00896	5.0
123.00887	2.3
123.04514	1.2
124.01677	2.6
125.02449	5.8
127.00356	2.9
129.45781	0.7
136.98817	3.2
138.39525	0.8
138.58502	0.7
139.00378	19.6
140.01161	33.2
140.02248	1.6
141.01563	0.8
148.05301	2.3
149.06097	6.2
151.04005	3.1
154.02774	1.8
161.06053	0.8
163.07600	1.6
179.03497	5.7
180.04295	7.8
181.03450	1.5
181.05066	30.2
182.05412	1.1
193.05023	1.4
195.06630	4.9
199.03632	0.7
204.04221	1.4
207.06622	7.3
208.06984	0.7
219.06712	4.0
219.08495	0.7
221.08115	1.1
241.09631	0.8
269.08929	0.7
299.10107	1.0
299.70132	0.8
326.11511	1.8
329.10245	3.3
343.11893	2.2
344.12634	32.6
345.12921	4.1
359.15002	100.0
360.15332	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88225	3.1
59.01375	6.9
69.44191	11.0
69.44601	10.9
71.01414	3.1
72.69484	2.7
75.46043	3.3
89.02300	3.5
108.02169	6.0
121.02971	12.7
121.22372	3.3
122.03751	3.7
135.04515	3.5
137.02486	4.1
147.04478	3.9
150.03258	7.7
158.03729	7.5
159.04541	23.5
160.05319	55.7
161.06133	20.3
163.04007	11.2
164.04805	8.9
173.06073	12.3
175.03943	6.2
175.07645	40.4
177.05537	14.6
178.06302	9.9
190.06516	4.3
193.08704	5.6
207.56091	3.5
226.50043	3.0
229.05060	24.8
243.06569	4.2
244.07326	6.8
271.09515	4.7
285.11499	6.2
329.10446	6.2
329.13934	100.0
330.14325	14.2
344.12711	7.6
359.11346	5.0
359.15012	38.0
360.15356	9.0
365.67459	3.6
379.95157	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67630	0.7
58.96617	0.7
59.01384	7.8
62.30085	0.7
69.07393	1.6
69.07800	7.4
71.01382	4.7
73.02962	1.0
75.15356	0.8
81.82258	0.9
89.02421	5.0
95.05052	0.9
99.08104	0.9
101.02452	3.2
107.05054	2.3
108.02180	1.5
113.02449	1.4
121.02959	1.6
121.06616	2.2
122.03750	1.0
123.04521	3.4
134.03716	0.9
135.04539	28.7
135.05539	1.9
136.04956	0.8
137.02463	0.9
143.10791	4.8
149.02496	0.9
149.06093	11.3
150.03232	7.4
157.12202	0.9
158.79068	0.8
159.41049	1.0
163.04036	2.5
164.04779	1.0
165.05577	5.4
171.10275	1.0
179.03619	0.8
179.07149	24.3
179.10712	1.7
180.07941	72.2
181.08266	4.2
182.05885	1.5
185.11769	1.4
192.07933	1.1
193.08650	0.8
194.05865	4.6
194.09447	2.5
195.10262	8.5
208.07434	17.5
209.07808	1.0
212.06889	5.0
221.08290	1.0
222.08911	2.3
223.09769	100.0
224.10104	6.5
226.08479	7.9
235.09740	2.2
269.08221	1.4
271.17368	3.3
299.09259	1.2
300.09982	1.8
311.09241	2.3
315.12494	2.0
316.13165	1.1
326.11493	3.3
329.13916	1.3
331.15643	4.8
341.13895	1.9
359.14987	9.9
359.19199	1.4
359.24307	7.0
360.15305	1.6
360.24933	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.2
59.01369	2.6
69.02622	3.5
69.03047	7.0
103.96480	1.1
105.72552	1.3
108.02187	2.5
109.02962	38.9
109.08544	1.3
121.02888	1.2
123.04546	2.9
147.04475	1.5
153.07553	1.2
158.03719	1.5
159.04518	12.4
159.51938	1.0
161.06055	1.9
163.04013	1.7
165.05544	1.2
171.04414	1.4
173.06088	10.2
175.07774	1.2
177.05556	1.5
185.06026	1.8
188.04822	1.3
189.05635	10.0
190.06122	1.5
191.07170	6.7
197.11914	2.2
202.96091	1.1
203.07144	4.7
212.04756	1.1
212.80457	1.1
213.05605	4.0
224.04848	2.9
225.05612	2.3
228.04448	1.5
239.07195	1.3
240.04289	8.5
241.05066	26.9
242.05327	2.3
250.06189	1.8
251.07164	1.1
253.04921	1.4
255.06673	17.5
256.07059	1.2
265.08682	1.1
267.06787	5.9
269.08328	5.5
271.09973	1.6
277.66815	1.1
281.08179	4.5
283.09824	1.6
295.09744	3.1
296.10278	1.4
298.08408	1.9
299.09265	18.5
300.09677	1.8
313.10812	17.6
314.11182	2.9
317.19461	2.0
327.12360	1.7
329.10251	8.5
329.14014	1.9
330.10880	1.5
343.11871	5.3
344.12668	53.4
345.13123	7.8
359.14993	100.0
360.15317	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71251	0.9
56.05886	0.8
83.71788	0.8
93.03481	0.9
95.01378	1.3
98.22530	2.0
108.02174	9.3
109.02966	27.5
111.00893	1.8
120.97066	0.8
121.02975	4.2
122.03737	5.3
123.00896	7.1
123.04559	9.1
124.01699	6.4
127.06945	0.9
133.06578	0.9
133.55275	0.8
135.04535	1.8
136.01677	72.9
137.02525	8.1
147.04559	1.7
148.05283	1.3
148.58081	1.0
149.06078	1.1
150.03261	2.6
151.04024	100.0
152.04320	5.1
158.03775	4.5
159.04533	43.1
160.04947	2.8
161.06117	4.0
162.03233	2.1
162.06877	2.2
163.04034	9.6
163.07680	2.1
164.04813	6.5
165.05659	1.8
171.04562	1.0
172.05295	3.2
173.06128	7.0
174.06886	4.4
175.07616	3.1
176.04820	3.3
176.82954	1.0
177.05577	7.5
179.07179	4.7
189.05617	4.9
191.07097	1.4
191.38513	0.9
193.08699	2.5
238.06424	1.3
253.08614	2.6
263.07208	1.3
265.04904	1.9
266.05838	11.3
267.06345	1.2
280.07529	0.9
281.08197	20.9
282.08694	3.4
296.10580	18.9
297.11115	5.9
299.09222	2.2
311.09344	3.4
311.12860	31.5
312.13321	3.2
314.11633	11.8
326.11603	13.1
329.13956	56.8
330.14340	6.6
341.13992	13.3
344.12531	3.7
359.15033	37.7
360.15466	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
63.43406	0.4
69.02953	1.3
69.03374	2.9
98.21777	0.7
126.84981	0.5
161.06429	1.1
162.14378	0.5
202.50507	0.5
217.07205	2.5
259.75793	0.4
261.04459	0.5
275.06067	0.9
277.07562	3.2
277.76343	0.5
278.07657	0.5
298.28854	0.5
343.12177	0.5
357.13834	3.6
359.15378	100.0
360.15509	18.1
377.16391	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.187
Annotation	Oleiferin H
Peak:m/z	Relative Intensity
53.75497	0.5
69.68598	1.3
69.69009	1.6
75.02818	0.6
83.05041	2.4
85.92049	0.7
88.36756	0.5
90.81878	0.7
93.03465	2.1
95.01418	0.6
108.02187	1.1
108.32942	0.5
109.02959	20.2
121.02962	17.9
122.03780	7.4
123.04549	5.6
124.01673	8.8
125.02473	1.9
125.06107	0.8
135.04539	6.5
136.01694	0.9
137.02460	15.1
138.03259	4.9
139.04034	15.0
142.23260	0.5
148.05347	1.2
149.06091	21.4
150.03281	0.7
150.06409	0.9
151.04013	8.6
152.04752	3.2
153.05547	2.4
154.02721	1.5
161.06041	0.7
163.07652	4.5
164.04814	3.4
165.05609	1.4
168.04193	0.7
177.09271	2.7
179.07133	1.0
179.10866	0.5
180.04248	0.5
184.03741	1.2
189.09198	1.0
191.07164	0.9
192.07968	1.0
194.11237	0.5
202.61241	0.6
204.07924	0.7
205.08537	0.6
207.10242	0.9
214.10051	0.7
258.12674	1.0
273.14993	0.7
274.63089	0.5
284.10486	1.0
285.11359	1.6
286.12241	0.7
299.12820	0.7
301.14432	9.6
302.14807	1.3
311.12958	1.4
314.11661	0.8
329.13959	61.8
330.14261	6.9
343.15540	0.9
344.12024	1.4
344.16299	38.5
345.16577	5.4
359.18658	100.0
360.19037	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31084	1.0
74.60300	0.5
83.05029	0.5
107.26801	0.5
108.72237	0.6
109.02957	15.9
109.06628	0.7
110.03299	0.7
121.02975	1.2
122.03815	0.5
124.01662	2.2
125.02451	8.2
131.06322	0.6
135.04541	0.5
137.02452	100.0
138.02750	3.5
139.04018	2.3
149.06136	0.9
151.04036	0.9
152.04759	0.6
163.07672	1.0
164.04817	1.9
165.05560	0.9
166.06349	0.5
167.98578	0.5
179.07101	0.8
265.62631	0.6
272.38922	0.5
284.10275	0.6
285.11264	0.6
301.14551	0.9
329.13983	8.7
330.14282	1.1
343.15591	0.7
344.16281	50.2
345.16629	6.1
359.18677	59.2
360.19031	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58828	4.6
59.01380	24.7
71.31031	6.9
71.31387	5.9
72.95785	5.5
79.00276	5.2
80.71897	4.6
94.78384	5.0
166.20923	4.6
185.05566	5.5
274.44995	4.8
277.21719	100.0
278.22076	10.0
299.87033	6.0
327.90924	5.2
359.22040	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20550	0.3
57.03440	1.4
58.04824	0.3
60.51656	0.3
70.34740	0.3
71.31575	0.5
71.54431	0.3
75.26433	0.4
91.31929	0.3
98.21867	0.3
98.22462	0.3
100.38274	0.3
102.65980	0.3
108.02182	0.4
109.03019	0.3
111.08176	0.5
116.94528	0.3
123.04481	0.6
127.11320	0.5
139.11386	0.3
172.38263	0.3
181.87332	0.3
185.11732	0.4
201.07886	0.3
216.98610	0.4
271.22681	0.5
295.22787	0.6
311.22379	0.8
311.25928	1.2
313.23859	7.0
314.24088	0.4
341.26978	1.7
357.26706	0.9
358.27069	0.3
359.15231	1.4
359.28052	100.0
360.28381	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.3
59.01384	1.4
61.54943	0.7
69.03484	0.7
83.03673	0.6
89.55139	0.6
99.25042	0.6
109.68153	0.6
120.94738	0.6
121.84032	0.6
135.60176	0.6
136.01688	2.2
137.02443	0.7
140.01224	0.8
151.04025	3.4
152.01122	1.5
153.01927	1.7
167.03517	1.1
185.11816	0.6
217.00424	1.0
311.25882	0.9
313.23886	6.0
314.23938	0.9
341.26959	1.5
344.12579	1.2
357.26486	1.2
359.15186	8.1
359.28036	100.0
360.15259	0.9
360.28360	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0931
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
56.37463	1.5
59.01385	14.5
71.01380	8.2
71.30537	2.1
72.99316	22.4
73.02976	2.8
75.00860	4.0
85.02953	2.5
89.02463	4.8
90.30750	1.6
93.03483	2.4
101.02455	7.0
109.02945	1.9
113.02446	2.6
119.03440	2.2
120.28384	1.5
120.99673	3.7
134.43985	1.6
136.49831	1.7
137.09694	1.6
155.10854	2.3
161.04507	1.6
181.06569	2.6
191.05756	1.8
193.06612	8.9
198.04503	2.8
199.09752	3.3
207.08200	11.3
208.08418	2.2
209.06154	3.4
211.07680	3.1
219.08141	17.1
223.07683	3.5
225.09288	14.9
235.07640	11.2
237.05574	2.5
237.09207	37.1
238.09613	2.4
241.08748	3.0
251.07133	3.5
253.08722	36.0
254.09091	3.1
255.06563	2.4
263.07156	7.6
264.07596	2.4
269.08209	8.6
279.06723	2.4
281.08148	22.2
282.08582	2.4
297.07721	8.7
299.09180	10.7
301.84808	1.5
307.06082	2.7
315.08786	76.5
316.09137	6.4
325.07333	5.6
343.08249	53.3
344.08502	4.4
361.09351	100.0
361.18634	4.2
361.22339	10.9
362.09641	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61481	3.9
50.83877	4.5
51.17402	4.9
59.01380	66.0
63.11840	4.2
63.36948	4.4
70.64281	11.2
70.64626	5.4
71.01382	19.1
73.02918	6.0
74.14787	4.5
80.91707	5.4
85.02944	11.5
87.54243	5.9
89.02459	10.4
95.01363	5.2
101.02468	15.3
113.02458	6.0
118.11937	4.5
122.06136	5.4
123.00895	100.0
124.01675	5.6
137.06046	5.3
138.03250	84.0
139.04071	31.4
148.49150	4.8
161.04543	25.9
167.03522	7.6
181.05072	9.2
191.05611	11.4
301.09497	28.1
342.00266	4.6
369.46512	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1296
Annotation	Metasequirin E
Peak:m/z	Relative Intensity
59.01360	0.7
67.01898	9.3
68.99838	1.4
69.01258	5.7
81.03462	4.5
82.26849	0.6
83.01402	1.2
95.01392	8.4
97.02999	1.0
97.62066	0.6
107.01391	8.9
108.02180	100.0
109.02483	2.5
109.03077	1.3
111.00909	5.7
112.98782	0.9
113.30940	0.8
121.02960	0.8
122.03766	1.1
123.00904	15.9
123.04534	80.0
124.04851	2.6
125.02438	6.0
135.04501	1.3
138.03239	2.9
139.00455	0.8
149.02409	3.4
151.00366	2.5
152.01123	2.5
164.04796	9.3
166.02716	18.4
166.04063	1.4
167.03516	9.9
174.99232	0.9
179.07149	12.4
181.05083	19.0
182.05441	1.2
202.98859	1.4
302.11774	0.9
317.14029	0.7
347.10950	0.7
361.12930	41.6
361.21811	2.4
361.25552	1.3
362.13458	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.0
69.12938	5.6
71.01397	4.2
73.02943	3.1
85.02959	2.4
85.06564	0.7
86.53980	0.7
87.04552	2.2
89.02458	1.4
95.01435	0.8
101.02455	2.2
107.79751	0.8
109.88885	0.7
113.02455	3.8
114.36259	0.7
135.08197	1.4
137.09732	13.4
155.10789	100.0
156.11130	5.1
168.16063	0.7
176.13454	0.7
181.08708	2.4
199.09764	73.5
200.10091	3.8
223.27840	0.9
241.10846	5.3
251.88914	0.8
285.08926	1.2
289.09027	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1505
Annotation	Gibboside
Peak:m/z	Relative Intensity
52.71407	0.8
52.89676	0.8
58.00607	0.9
59.01363	1.3
60.93508	1.0
69.29207	6.9
71.01358	1.3
72.59809	0.8
73.02937	1.7
85.02959	1.5
87.04517	2.2
95.01356	0.8
101.02445	1.2
108.63725	0.8
109.19927	0.8
113.02455	2.4
135.08131	1.6
137.09741	11.8
155.10788	100.0
156.11165	4.5
169.12241	1.8
181.08733	1.6
191.45950	0.9
199.09764	86.2
200.10172	3.9
213.11211	1.4
241.10878	5.6
350.27847	0.8
368.34326	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1505
Annotation	[3R-(3alpha,3aalpha,4beta,5alpha,6aalpha)]-3-[(beta-D-Gulucopyranosyloxy)methyl]hexsahydro-4-(hydroxymethyl)-5-methyl-2H-cyclopenta[b]furan-2-one
Peak:m/z	Relative Intensity
55.01881	5.2
57.03436	7.4
58.00579	4.2
59.01384	94.4
60.40758	2.1
69.10392	6.1
69.10812	15.9
71.01385	100.0
72.99310	7.9
73.02943	22.8
82.18119	2.3
83.01388	8.3
85.02479	3.8
85.02957	44.7
85.03391	1.5
85.06592	2.8
87.00880	9.1
88.66051	2.0
89.02448	59.2
93.03471	6.3
95.01387	6.7
96.96022	48.0
98.21812	5.1
99.00880	11.5
99.78944	2.2
101.02452	68.2
109.02912	2.4
111.04519	3.9
113.02470	35.7
115.00346	2.5
115.92070	3.5
119.03535	19.5
119.04990	11.7
120.99599	3.0
131.03552	3.5
135.04539	5.0
137.02393	3.5
137.09712	9.1
139.07622	3.9
143.03529	7.1
143.86319	2.1
144.04524	2.8
155.10802	11.9
159.03018	6.1
161.04570	27.5
163.04045	11.4
163.07660	12.2
173.04555	8.3
179.05597	5.9
181.08688	6.7
191.05554	11.7
192.06013	2.9
199.06110	2.5
199.09779	23.6
200.10020	2.0
242.05783	2.9
255.03008	3.1
286.14642	2.2
317.16061	10.1
361.09671	18.4
361.15030	66.2
362.15381	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1658
Annotation	Laxiflorin K
Peak:m/z	Relative Intensity
57.03451	2.8
58.00583	2.3
59.01388	8.6
63.39764	1.6
69.17796	16.0
69.18118	4.2
71.01398	11.3
73.02923	2.4
85.02938	9.3
87.04510	10.9
89.02451	3.9
95.01383	3.1
96.96032	3.5
97.02950	2.5
98.22548	4.0
101.02444	6.3
107.04985	1.9
107.98990	1.7
113.02457	17.3
121.02948	3.3
121.06567	2.4
122.03750	3.0
134.03708	2.6
135.04543	39.1
135.08160	4.2
136.04839	2.5
137.02437	4.2
137.09750	26.1
139.11287	2.6
145.02904	2.6
147.04468	2.3
149.06068	7.6
151.11426	1.9
153.09233	6.9
155.10788	69.1
161.04723	3.0
161.06093	13.3
163.03998	6.1
167.07072	5.1
169.12347	5.2
179.07133	8.4
180.07939	67.6
181.05174	2.0
181.08690	9.3
182.05818	4.5
186.54132	2.0
190.06357	2.2
191.07133	3.7
192.07964	15.1
193.08685	8.2
194.05820	13.7
194.09445	3.0
195.06618	10.1
195.10249	2.3
199.09776	67.7
200.10194	2.8
207.06750	2.6
212.06894	14.8
213.11331	4.8
226.08488	5.5
241.10820	29.7
259.06168	4.3
264.66055	1.9
297.11453	4.1
298.04764	4.1
300.10068	2.5
313.10681	10.1
316.13092	8.0
322.37274	1.8
327.12439	2.2
328.13000	10.1
331.08313	5.3
331.15536	47.9
332.15866	3.6
343.15555	21.7
344.16074	2.7
346.14227	3.3
361.10056	8.5
361.16559	100.0
362.16653	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1661
Annotation	CHEBI:67665
Peak:m/z	Relative Intensity
59.01376	1.1
63.69931	1.1
69.50364	7.4
70.88628	1.0
78.95844	0.9
79.09632	1.0
81.03466	1.6
86.87051	1.1
108.02184	1.9
109.02963	6.1
121.02956	1.5
122.03778	2.5
123.00861	1.6
123.04523	3.7
124.01639	5.6
125.02477	11.1
135.04567	1.7
137.02452	3.8
138.03244	18.9
139.04085	7.6
148.05318	4.0
149.06075	1.6
150.03215	8.3
152.01152	5.8
153.01955	25.7
153.05515	5.2
154.02313	2.5
162.03238	1.8
163.04079	2.7
163.07649	2.5
164.04800	49.4
165.05470	4.1
167.03508	8.8
170.02179	1.4
173.06058	1.2
175.07639	4.8
176.04857	2.5
179.07161	21.6
180.04292	4.7
181.04939	1.4
184.03770	1.1
188.08481	2.1
189.09253	1.8
191.07117	7.3
192.07941	5.7
192.88741	1.1
206.05823	3.7
220.07281	1.5
297.11160	2.1
313.10855	4.0
328.13141	9.0
343.15546	19.0
344.15884	2.2
346.14178	19.1
347.14420	1.8
351.34381	1.1
361.16574	100.0
362.16959	12.2
384.06696	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1657
Annotation	3,4,5,3',4',5'-Hexamethoxybibenzyl
Peak:m/z	Relative Intensity
61.98833	0.3
69.43797	2.6
77.30475	0.4
98.22503	0.6
109.02961	22.3
110.03282	0.5
111.04529	0.6
121.02962	0.6
122.03714	0.5
123.04563	2.5
124.01665	9.1
125.02457	9.1
133.15105	0.5
137.02452	42.9
138.03242	36.1
139.04044	14.8
140.01160	1.8
140.04283	0.7
149.06087	1.5
151.04015	7.3
152.04805	9.6
153.05527	1.5
154.02663	0.6
163.07690	0.7
164.04799	4.0
165.05573	27.4
166.06110	1.4
170.00836	0.7
170.02222	8.2
175.07646	0.8
177.09238	1.2
179.07153	4.2
181.05083	0.7
184.03793	4.1
189.09207	1.5
191.07156	0.6
192.07962	1.0
193.07071	0.4
193.08705	2.0
193.95340	0.4
202.98734	0.5
204.07803	1.0
205.08652	1.7
219.10284	0.8
257.12064	0.5
285.11322	1.3
287.12860	0.7
290.70389	0.4
313.10858	1.0
314.11502	0.6
329.13882	4.0
331.11890	5.9
331.15433	0.5
332.12033	0.6
345.13339	0.4
346.14221	24.4
347.14554	2.4
361.16568	100.0
362.16904	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1661
Annotation	Macrocalin B
Peak:m/z	Relative Intensity
55.01861	1.4
57.03443	1.8
59.01135	0.9
59.01387	11.7
69.88642	2.4
69.88989	0.8
71.00988	0.8
71.01388	12.5
72.04560	0.9
72.99297	1.0
73.02952	3.7
77.13303	0.6
78.70266	0.7
83.01388	3.0
84.82639	0.7
85.02959	5.5
89.02448	2.2
93.03454	5.3
95.01434	1.1
95.05842	0.6
98.22475	0.8
99.00895	2.1
101.02450	8.8
108.02190	0.9
109.02951	11.5
111.04595	0.8
113.02428	3.1
119.05046	1.1
121.02972	42.8
122.03767	26.3
123.04624	4.1
124.01662	2.9
129.03452	1.8
134.03711	1.6
135.04539	6.7
136.01659	1.2
136.05299	2.7
137.02438	4.0
137.06007	0.8
144.75761	0.7
146.03711	0.8
147.04552	15.1
148.05258	0.8
149.06104	3.6
154.02737	4.6
159.04576	1.0
160.05197	1.1
161.06082	5.9
162.06844	1.1
164.04819	1.0
165.05580	42.5
166.05864	2.4
168.96838	0.6
175.07571	0.8
178.06349	1.9
179.07166	16.9
180.07875	2.5
185.04260	0.8
191.07094	1.2
193.08714	1.3
199.13376	4.2
209.08163	2.4
212.13261	0.7
223.09650	1.3
280.11084	0.7
298.12198	1.0
301.10709	1.0
313.10886	1.1
313.14371	1.5
315.12271	4.1
316.12900	1.1
331.15579	2.1
343.15527	1.1
346.14206	15.6
347.14517	2.3
361.16779	100.0
362.16312	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76947	0.2
55.01882	2.0
55.28491	0.2
56.21764	0.2
57.03443	1.5
58.00602	1.1
59.01383	18.1
66.18699	0.2
68.99802	0.3
69.03435	0.3
69.84060	0.7
71.01389	15.6
71.05016	0.2
72.01732	0.2
72.99310	1.5
73.02953	6.2
75.00877	0.5
80.16218	0.2
83.01398	3.7
85.02959	8.1
86.00121	1.2
87.00872	0.9
87.04520	0.3
89.02450	2.9
95.01376	1.2
97.02936	0.4
99.00899	1.8
101.02453	10.6
102.02795	0.3
111.00882	0.7
113.01736	0.4
113.02467	4.8
119.03481	0.6
121.80540	0.2
125.02462	0.3
125.92188	0.2
139.11302	0.4
141.01918	0.3
155.10800	1.6
158.01315	0.2
161.04509	0.3
169.12347	0.3
181.12321	1.6
199.13408	6.7
200.13800	0.3
255.35526	0.2
343.17642	0.9
358.91330	0.2
361.18692	100.0
362.19080	9.0
362.23657	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.5
55.33052	0.5
57.02178	0.6
57.03443	1.4
58.00588	1.2
59.01094	1.1
59.01387	21.0
59.87040	0.5
69.38731	2.8
69.39156	1.5
71.01385	16.2
72.99290	1.4
73.02949	5.6
83.01395	3.8
85.02959	10.9
86.00118	0.7
87.00884	1.2
87.04506	2.8
89.02467	4.2
90.52371	0.5
95.01395	2.4
99.00891	1.7
101.02460	11.4
108.38079	0.6
111.00890	0.7
111.63650	0.5
113.02457	8.7
119.03532	1.4
135.08183	1.5
137.09740	8.6
138.10008	0.7
139.11311	0.8
155.10796	18.8
156.11095	1.2
161.04565	0.9
177.49210	0.5
181.08759	1.7
181.12279	1.2
199.09781	14.8
199.13472	6.1
200.10229	0.6
213.11295	0.8
226.26404	0.6
241.10834	5.7
343.17505	2.0
361.18701	100.0
362.19012	11.2
381.27762	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.6
55.91262	0.7
57.03450	1.3
58.00603	0.8
59.01385	10.7
61.67513	0.6
69.45547	3.9
71.01385	9.1
72.99313	0.6
73.02966	3.3
83.01398	2.5
85.02967	5.9
87.00879	1.1
89.02461	2.3
90.92355	0.6
93.03465	4.8
95.01411	1.1
99.00906	0.7
101.02456	7.9
108.02170	1.7
109.02966	10.6
113.02503	3.3
119.05029	1.5
121.02969	38.8
122.03761	28.1
123.04588	4.6
124.01674	2.8
129.03462	2.6
134.03770	1.8
135.04543	4.4
136.01591	0.9
136.05315	2.3
137.02484	4.7
138.03264	0.7
143.20546	0.6
146.03726	1.8
147.04543	15.2
148.05307	1.5
149.06107	3.7
153.02049	0.8
154.02721	3.9
155.10860	0.8
159.04492	0.9
160.05247	1.0
161.06094	5.9
162.06871	1.3
163.04062	1.1
164.04863	1.9
165.05583	45.5
166.05888	1.8
173.06085	1.0
178.06300	1.3
179.07135	17.2
180.07825	2.5
181.12317	0.8
191.07146	1.3
193.08665	0.9
199.13385	4.0
209.08289	2.0
220.42230	0.6
223.09778	1.4
244.40588	0.6
248.28569	0.6
253.34904	0.7
298.12009	1.7
299.12512	0.7
301.10864	0.8
313.14499	1.9
314.17371	0.6
315.12460	4.6
316.13040	1.4
331.15201	0.8
343.15430	1.2
346.14166	15.0
347.14594	1.6
361.16074	100.0
362.16400	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01915	1.4
57.03445	4.0
58.00593	3.4
59.01385	100.0
59.95958	1.3
60.81791	1.4
69.02434	8.9
69.02869	5.3
71.01389	64.1
71.05030	1.7
72.99303	5.8
73.02949	3.5
83.01389	4.7
83.05043	8.5
85.02966	12.9
87.00863	2.9
89.02453	65.0
95.01398	4.4
96.96036	1.4
98.22551	2.2
99.00899	1.9
99.08159	18.2
99.51039	1.4
101.02451	45.5
113.02467	23.9
119.03513	34.8
131.03523	3.6
135.11804	2.0
137.02448	2.3
143.03557	3.0
149.04591	3.0
161.04568	4.3
171.10248	1.5
179.05605	6.1
181.12344	3.4
186.26015	1.3
201.70711	1.3
202.98831	1.9
253.76154	1.5
281.29846	1.5
288.52606	1.3
317.14224	3.0
344.53595	1.3
361.18753	55.0
361.26050	4.8
362.19156	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.1
60.10654	1.7
66.28529	2.0
119.97232	2.0
128.81464	1.7
129.70091	1.8
192.48405	1.6
215.70421	1.7
235.92604	1.8
279.23306	100.0
280.23636	11.5
318.88443	1.8
361.15359	11.5
361.23633	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70458	1.3
55.78181	1.2
59.01385	100.0
63.86692	1.2
69.48034	8.9
71.01390	28.2
73.02944	2.6
78.73259	1.2
83.01405	2.0
85.02974	5.6
87.00890	2.0
89.02449	35.2
95.01405	3.1
98.22473	1.4
101.02452	14.6
113.02453	11.6
114.53567	1.4
119.03510	14.4
122.06131	31.3
123.06448	1.5
131.03561	2.0
143.03531	3.2
148.62662	1.4
149.04593	1.6
161.04608	7.2
173.04575	1.4
179.05682	10.2
189.39214	1.4
191.05594	3.2
201.11211	1.9
269.40729	1.3
302.08261	1.7
363.16547	3.9
378.27237	1.3
386.56302	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	20.2
63.02399	9.3
65.00321	9.8
69.34453	7.3
69.34855	4.6
71.01382	2.4
73.02955	4.3
77.99464	1.9
82.58866	2.0
83.01395	8.3
107.01382	22.6
109.02968	5.0
113.02440	2.7
121.02947	2.7
123.04575	2.9
124.01668	2.1
125.02447	3.2
133.02985	3.3
136.01657	12.2
141.09216	5.8
147.00888	8.9
148.01732	2.7
151.00388	83.3
152.01115	4.9
167.03429	3.3
169.01407	2.6
170.81436	2.1
171.04498	2.6
178.98450	3.6
178.99881	43.8
179.03481	4.8
180.00191	2.6
185.02449	2.8
199.04041	11.6
201.01933	5.2
203.03539	4.2
227.03537	10.3
231.03036	4.3
243.02983	17.8
255.03008	9.1
256.03629	5.3
271.02460	100.0
272.03186	21.1
287.05612	2.7
299.02008	63.4
300.02768	84.8
301.03378	21.9
331.04599	71.3
332.05048	3.3
363.19409	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79524	1.9
59.01384	14.4
71.01389	15.6
73.02941	4.3
74.49734	2.1
85.02962	6.4
89.02460	6.6
91.01884	2.5
93.03470	3.6
96.96017	4.2
99.00883	2.1
101.02454	10.9
108.02187	18.8
109.03028	2.0
113.02448	7.3
119.03547	2.1
121.02975	21.6
122.03745	16.4
123.04553	13.3
125.02426	2.3
134.03745	7.4
135.04536	3.7
136.01685	2.2
146.03738	10.6
149.02452	33.8
149.06059	10.3
150.03242	83.0
151.03714	1.6
152.01166	41.3
153.01596	2.3
154.02803	2.1
161.04529	3.3
161.05975	3.7
164.04794	7.8
165.05580	100.0
166.06331	9.0
167.03511	63.5
167.07152	44.5
167.08241	1.0
179.07146	23.1
180.04314	5.6
183.10165	2.0
195.06648	39.5
201.11357	3.6
204.24239	1.6
213.05594	2.7
216.55185	1.7
216.89238	2.0
221.08215	3.8
256.07449	8.9
257.12967	6.5
258.71558	1.8
269.80243	1.9
271.09717	4.0
315.08783	30.2
315.12317	2.7
316.09146	2.4
333.31497	1.9
339.47354	2.0
363.11426	4.9
363.16904	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34375	19.7
56.90697	19.3
59.01385	90.2
62.20548	16.0
63.00537	17.0
69.27619	16.8
71.01382	82.6
71.29322	27.9
84.21648	17.5
101.02460	53.0
113.02496	27.3
131.32065	24.9
135.38257	20.6
135.39389	20.1
139.04060	29.4
152.01180	18.7
155.10799	27.8
176.17308	21.5
201.11406	26.5
272.21860	22.2
319.19284	32.8
363.11041	31.3
363.18015	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01144	2.1
57.03444	4.0
59.01383	100.0
69.32614	13.6
71.01392	36.4
72.99281	2.4
73.02941	6.5
82.02977	7.3
83.01384	3.1
85.02951	8.3
89.02448	29.2
89.89144	2.2
95.01387	3.7
101.02455	21.4
113.02444	15.4
117.92414	2.7
119.03524	13.1
136.04070	5.2
147.04495	3.9
161.04553	6.5
164.03566	8.8
183.10284	5.6
194.04550	6.0
196.06209	4.9
201.11348	3.1
218.92520	2.2
287.10373	22.4
328.59372	2.6
331.09338	9.5
363.12277	3.1
363.16608	80.3
364.16925	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01144	2.1
57.03444	4.0
59.01383	100.0
69.32614	13.6
71.01392	36.4
72.99281	2.4
73.02941	6.5
82.02977	7.3
83.01384	3.1
85.02951	8.3
89.02448	29.2
89.89144	2.2
95.01387	3.7
101.02455	21.4
113.02444	15.4
117.92414	2.7
119.03524	13.1
136.04070	5.2
147.04495	3.9
161.04553	6.5
164.03566	8.8
183.10284	5.6
194.04550	6.0
196.06209	4.9
201.11348	3.1
218.92520	2.2
287.10373	22.4
328.59372	2.6
331.09338	9.5
363.12277	3.1
363.16608	80.3
364.16925	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.4
57.03451	3.7
59.01383	62.8
59.34595	3.4
59.34881	3.2
69.43222	18.6
71.01393	47.3
72.99281	6.5
73.02953	8.1
83.01398	4.6
85.02969	16.7
88.59781	3.5
89.02458	37.7
95.01372	6.3
96.95997	9.3
101.02441	39.9
108.02182	13.3
113.02464	20.0
116.88636	3.6
119.03505	15.2
121.02945	21.6
122.03820	16.6
123.04544	8.9
125.02428	3.7
134.03784	19.4
135.04524	8.0
140.59657	3.4
146.03767	15.2
149.02434	13.0
149.06093	27.0
150.03252	39.7
152.01140	13.9
154.15776	3.6
161.04597	7.4
161.06071	10.1
164.04778	13.1
165.05612	38.9
166.06319	8.0
167.03508	31.3
167.07144	80.0
168.07506	5.8
177.05873	4.2
179.07169	34.1
183.10263	14.1
195.06622	17.4
201.11333	9.4
221.08252	7.2
256.07504	4.7
276.61255	4.2
281.14047	8.0
299.52542	3.8
315.08762	10.8
327.12518	7.4
363.11880	10.7
363.16626	100.0
364.16962	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.5
55.35083	1.5
57.03447	4.5
58.00566	2.4
58.10495	1.5
59.01385	96.7
60.93157	1.5
61.61318	1.7
62.67988	1.6
69.07994	1.8
69.59132	8.3
71.01391	70.3
72.99314	5.2
73.02964	14.4
74.62672	1.7
82.02979	8.8
83.01402	8.5
85.02963	26.0
87.00903	5.0
89.02452	44.0
89.02972	3.4
95.01406	5.8
99.00867	5.5
101.02454	54.6
113.02460	29.1
119.03518	24.5
121.10239	4.1
125.06100	2.0
136.04048	4.0
139.11314	3.9
143.03487	4.1
159.03003	4.9
161.04582	14.8
164.03532	11.5
183.10283	31.6
194.04564	3.9
196.06195	6.0
201.11366	15.8
251.20723	2.0
287.10431	23.4
288.10800	2.0
319.13187	1.7
319.17645	5.3
331.09219	8.6
363.16699	100.0
363.23972	4.8
364.17084	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54042	1.6
55.01880	2.0
57.03432	2.3
58.00583	4.6
59.01383	100.0
60.01702	2.0
69.03431	4.3
71.01386	69.4
71.31561	2.1
71.31915	2.5
72.99302	4.3
73.02945	3.1
73.80728	2.0
82.02975	3.1
83.01402	3.7
85.02958	99.1
85.07685	2.0
86.03249	2.2
87.00876	5.2
89.02451	91.2
95.01387	3.1
96.95997	2.8
101.02446	35.0
107.20688	1.8
113.02456	31.2
119.03513	38.8
121.10233	7.4
131.03470	2.9
136.04077	2.2
139.11281	5.0
143.03482	3.9
161.04584	6.8
164.03665	2.3
179.05611	16.1
183.10274	40.3
184.10547	2.3
196.06177	2.2
201.11304	11.7
287.10440	9.0
309.26770	1.7
363.11453	3.7
363.16605	8.4
363.24017	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
57.03450	9.7
58.00595	0.9
59.01384	100.0
61.98827	1.2
70.85554	0.7
70.85894	1.8
71.01385	23.6
72.99322	1.6
73.02953	3.2
83.01402	3.0
85.02951	6.6
87.00909	0.8
89.02452	17.8
89.02964	1.3
95.01392	2.2
99.00889	1.6
101.02444	20.3
113.02445	9.5
114.43842	0.7
119.03526	8.3
123.08193	1.1
133.29128	0.7
143.03506	1.0
149.02426	0.7
150.03241	1.5
152.01152	0.8
159.02936	1.2
161.04536	4.1
165.05585	2.8
167.03503	2.0
179.05556	0.8
180.44608	0.7
182.78300	0.7
183.10271	13.8
184.10542	0.6
195.06590	1.1
195.60808	0.8
277.68106	0.7
279.41522	0.8
303.14407	2.7
315.08755	1.1
363.16614	98.7
364.16995	10.0
385.16727	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25112	1.3
57.03444	4.5
58.00610	2.5
59.01384	100.0
60.01700	1.5
70.65639	4.7
71.00986	2.3
71.01385	47.6
72.99292	2.4
73.02956	39.1
82.03010	2.0
83.01402	4.0
85.02962	9.3
87.00877	3.5
89.02453	47.5
89.82352	1.7
95.01384	3.0
98.21899	1.4
99.00910	1.5
101.01815	2.5
101.02446	30.8
101.93032	1.5
113.02446	18.1
117.03492	10.8
119.03515	26.1
119.05013	3.9
131.03516	2.1
139.11357	3.7
145.02959	56.1
146.03285	5.3
149.04497	1.8
154.54955	1.5
161.04533	7.0
163.04051	8.0
169.27498	1.3
179.05641	6.2
183.10283	20.6
185.11955	1.9
187.04012	2.3
201.11383	1.8
262.72516	1.6
287.10446	6.3
325.09262	18.1
327.09955	1.5
363.11926	4.1
363.16620	85.5
364.16928	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.1
57.03448	8.2
58.00601	2.0
59.01381	100.0
60.01702	0.8
61.98814	3.6
65.32945	0.7
67.01897	0.7
71.01385	28.9
72.99307	2.9
73.02943	4.5
83.01390	2.5
85.02959	9.7
87.00892	1.7
89.02453	21.2
95.01414	2.6
96.95994	0.8
99.00863	2.2
101.02444	21.1
106.64046	0.8
108.91117	0.6
110.95180	0.7
113.02465	11.8
115.03989	2.6
119.03511	9.3
123.04545	0.9
139.11311	0.8
143.03531	1.5
149.02452	1.1
149.04591	1.0
150.03268	5.3
152.01056	1.1
157.08737	1.5
161.04576	3.3
165.05554	7.5
167.03506	1.5
179.05537	1.7
183.10258	16.0
184.09799	2.3
185.11909	1.1
201.07678	1.7
201.11334	2.2
264.97272	0.8
267.57993	0.8
303.14560	1.0
363.16620	97.3
364.16925	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.218
Annotation	Florxenilide C
Peak:m/z	Relative Intensity
59.01380	1.7
60.79107	1.8
61.98833	4.7
63.11863	2.1
70.62476	3.7
80.74570	1.7
81.24374	1.8
86.56802	1.7
116.92782	1.9
126.88133	2.0
135.72513	1.9
147.39607	1.6
182.24712	1.7
187.62724	1.7
205.30225	1.9
211.78575	2.1
270.24405	2.3
301.21735	27.4
319.22797	100.0
320.23270	13.1
330.03958	2.1
363.04382	1.9
363.21783	65.8
364.22128	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.9975
Annotation	Kaempferol 3-O-sulfate
Peak:m/z	Relative Intensity
53.30204	0.3
62.57991	0.3
65.00320	1.0
69.75083	0.5
69.75363	1.4
80.69343	0.2
83.01402	0.7
88.77390	0.2
105.03493	0.3
107.01405	2.2
121.02962	0.3
133.02966	11.6
134.03250	0.5
135.04532	3.5
142.06647	1.1
149.02448	2.0
150.02768	0.3
151.00392	5.8
155.33891	0.3
161.02473	0.8
175.04037	2.5
185.06058	0.4
186.05605	0.4
197.06140	0.5
198.03192	0.4
199.04057	2.1
201.01956	0.9
211.04042	0.3
213.05574	0.5
215.03568	0.4
217.05101	1.8
223.04088	0.5
229.06346	1.5
229.73447	0.2
231.75542	0.3
239.03690	0.2
241.05042	0.8
243.03090	0.8
272.85309	0.3
285.04065	100.0
286.04407	8.7
364.99756	8.1
365.19608	0.5
365.99841	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50495	1.4
59.01371	5.6
70.64035	1.4
70.66745	1.8
71.01376	1.8
78.70499	1.8
89.02459	1.8
108.01485	2.0
108.02182	23.4
113.02460	1.5
123.04530	13.5
126.98114	1.3
133.02859	1.4
141.09221	2.7
152.01167	28.9
167.03511	100.0
168.03831	5.2
203.09248	2.5
210.76187	1.3
232.09830	1.3
329.08896	8.1
340.65863	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59668	4.8
59.01396	8.0
69.25603	41.6
79.03508	5.1
85.02950	13.1
87.00866	9.0
93.03481	8.9
115.00362	5.3
125.05317	5.3
130.52144	5.0
135.73720	5.6
159.01125	5.7
191.03868	6.4
191.05606	100.0
217.05382	8.2
233.04861	6.7
316.36029	5.0
348.26541	5.2
365.08957	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75831	0.6
57.03439	1.2
58.38319	0.7
59.01382	24.7
60.01701	0.9
68.97645	2.9
68.98071	3.1
71.01378	7.4
72.99307	1.2
73.02950	1.0
81.02676	0.7
83.54084	0.9
85.02947	3.1
89.02448	6.9
95.01382	1.4
95.71649	0.6
97.06590	5.3
99.08172	1.4
101.02435	4.3
106.79221	0.7
113.02457	3.6
119.03514	2.4
123.08191	1.5
125.06071	2.5
141.09225	100.0
142.09541	4.8
143.07149	49.0
144.07487	2.2
161.04562	1.5
167.07147	2.4
173.43724	0.7
179.05696	1.1
185.08195	23.6
185.09885	1.2
203.09264	72.4
204.09560	3.8
245.10411	2.0
305.12323	1.3
322.33072	0.8
360.37518	0.9
365.14352	4.7
365.18417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28583	0.7
55.13894	0.7
58.00597	1.7
59.01384	100.0
71.01385	26.3
71.30684	1.4
72.43864	0.7
72.99316	1.3
73.02958	2.5
73.14368	0.7
83.01406	2.1
85.02956	35.4
86.03317	1.0
87.00895	2.2
89.02452	44.1
95.01412	2.5
96.96008	0.8
96.97545	0.6
99.00890	1.3
101.02450	19.0
107.04382	0.7
113.02469	11.5
117.05585	1.8
119.03503	16.6
120.82973	0.7
131.03557	1.6
143.03503	3.6
149.04584	1.6
153.50330	0.8
161.04561	5.2
175.30904	0.8
179.05615	13.5
185.11975	0.9
187.33011	0.7
189.98804	0.9
203.12987	2.2
265.09302	19.2
266.09677	1.0
286.40768	0.8
289.11099	1.1
365.18198	19.2
365.22260	1.4
366.18781	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.7
57.03453	3.4
57.55367	1.4
58.00598	3.7
59.01383	100.0
60.01698	1.7
62.14680	1.4
69.32974	4.4
69.33398	4.4
71.01387	69.4
72.01749	2.4
72.99317	5.3
73.02950	13.6
75.00851	1.3
83.01391	4.8
84.02194	1.5
85.02953	21.9
87.00890	5.2
87.04523	3.3
89.02451	74.6
93.78921	1.3
95.01419	4.4
97.06615	6.3
99.00904	2.8
101.02448	49.5
109.06630	2.5
113.02459	33.5
115.07682	2.1
119.03508	36.0
119.34505	1.2
125.02428	1.7
131.03494	3.6
141.09239	3.2
143.03522	5.8
143.07173	3.6
147.93022	1.2
149.04575	3.2
149.09735	2.9
159.03018	2.5
161.02480	1.7
161.04579	20.1
177.24144	1.2
179.05643	12.2
191.05612	4.6
203.09288	4.5
203.12871	12.2
221.06642	1.9
277.13010	5.8
365.14398	3.0
365.18176	33.4
366.18555	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
57.98489	1.4
58.00593	3.4
59.01383	100.0
59.14221	1.3
65.05741	1.3
69.14531	2.8
69.14960	9.5
71.01387	51.4
72.99309	4.1
73.02956	2.0
75.91611	1.3
83.01364	2.3
85.02235	1.8
85.02953	9.7
87.00886	2.1
89.02455	69.6
91.14834	1.5
95.01432	3.3
98.22478	2.3
101.02445	26.7
106.67305	1.4
113.02466	22.3
119.03519	30.7
131.03514	1.4
141.09288	2.2
143.03496	5.4
149.04507	1.7
161.04582	5.8
179.05635	12.5
185.11868	11.3
203.12929	2.3
226.92992	1.9
297.82037	1.4
330.12592	1.7
342.57458	1.5
365.18103	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54731	0.9
55.01865	1.6
57.03447	1.0
57.35577	0.8
59.01383	100.0
60.01701	1.1
64.52190	0.9
69.24345	6.5
71.01389	15.1
72.99297	1.0
73.02958	5.7
83.01376	3.4
85.02952	10.7
86.00101	0.9
87.00868	1.8
89.02456	6.4
94.04512	0.9
95.01384	1.3
98.22560	1.8
99.00888	2.5
101.02451	16.6
110.14590	0.9
113.02482	8.1
119.03487	2.0
126.73952	1.1
142.04268	0.8
159.02919	1.0
161.04562	3.6
179.05502	1.0
185.11818	2.3
187.18936	0.9
200.04985	0.9
203.12892	2.6
265.09207	1.5
268.39490	0.9
294.62445	0.9
305.16077	5.5
305.93100	0.9
306.16574	1.1
365.18173	97.4
366.18512	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91540	0.7
55.01892	1.0
58.00602	0.8
59.01094	1.4
59.01386	26.8
60.01696	0.7
63.52496	0.6
69.09374	6.6
71.01390	16.6
72.99317	1.0
73.02953	1.6
77.60484	0.7
78.10355	0.6
83.01398	1.5
85.02975	4.5
87.00903	2.2
89.02451	13.2
91.64588	0.8
92.93687	0.8
95.01397	1.4
99.08129	0.9
101.02449	11.8
113.02455	5.9
119.03521	5.0
123.08298	0.8
127.11350	3.3
129.05577	1.9
129.28209	0.7
155.10710	1.9
157.12346	16.1
158.12749	1.1
161.04593	0.7
171.14024	0.8
185.11844	2.7
187.13448	1.8
199.13458	1.3
203.12883	44.5
204.13251	2.4
225.73544	0.7
245.14055	0.8
292.42194	0.7
365.18173	100.0
366.18527	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.1
58.00595	4.4
59.01384	100.0
61.98841	2.3
69.10881	1.3
69.18357	10.6
71.01386	63.6
72.17586	1.3
72.99302	5.2
73.02957	3.7
73.75504	1.3
78.28104	1.8
80.26207	1.4
83.01400	5.6
85.02953	11.5
87.00906	5.2
89.02454	80.9
90.02783	1.9
95.01403	4.0
96.96049	2.2
101.02451	32.3
113.02467	24.2
119.03506	33.4
131.03497	3.6
132.42445	1.4
141.09259	6.1
143.03506	5.3
149.04587	2.7
153.09296	2.4
161.04572	5.5
179.05623	16.0
196.64879	1.4
203.12901	19.9
284.42819	1.3
318.05893	1.6
329.99194	1.4
365.18329	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2335
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
52.92734	0.7
55.31559	0.6
57.03454	7.0
59.01378	0.7
74.56528	0.6
75.15117	0.6
95.25282	0.6
96.95981	0.8
98.22615	1.3
118.89988	0.7
134.43268	0.7
144.69765	0.6
173.64352	0.6
262.10245	0.7
280.03955	0.7
281.98529	0.8
287.20175	2.0
301.21597	1.1
303.23312	45.8
304.23657	5.8
321.24356	22.8
322.24796	2.1
335.22339	0.8
347.22198	5.4
365.23343	100.0
366.23700	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96347	0.9
55.90945	0.8
59.01371	2.8
73.18635	1.0
95.50931	1.1
96.96004	1.6
100.36742	0.9
110.68073	0.9
111.08177	10.8
167.10783	2.5
177.12810	1.7
179.10815	2.3
195.13940	5.7
243.16895	4.2
243.66975	1.4
247.20605	1.3
291.19678	100.0
292.19965	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.9
60.01728	0.3
62.50851	0.2
71.01385	1.5
71.14560	0.4
71.15068	0.2
73.02949	0.3
85.02982	0.5
89.02454	1.5
89.03978	0.4
93.03466	0.6
95.19387	0.2
101.02460	0.6
111.04536	0.3
113.02443	0.4
116.05077	4.0
117.03478	1.4
119.03545	0.3
120.03867	0.3
125.02401	0.2
132.04587	0.5
133.98997	0.2
134.03757	15.5
137.02417	0.4
139.04138	0.3
149.06139	1.1
151.80237	0.2
155.03539	0.5
159.03247	0.8
160.04053	100.0
161.04422	4.6
167.03423	0.3
169.01395	0.2
173.04541	0.9
179.05771	0.4
180.06042	0.2
191.05624	1.0
193.05072	15.8
204.01198	0.4
204.03030	4.6
204.08537	0.3
204.13252	0.2
205.03387	0.3
289.82230	0.2
366.08334	14.4
366.13712	0.7
366.18399	0.6
367.09683	1.9
367.14828	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43610	0.9
60.75731	1.0
69.10689	3.0
69.11106	6.9
70.83698	1.1
72.50522	1.1
72.91748	0.9
79.01823	1.0
95.53648	0.9
98.21773	1.4
132.04599	2.5
134.03738	1.2
146.06108	4.8
148.07698	47.2
149.07979	1.8
155.17851	1.2
164.90445	0.9
170.70438	1.0
195.24681	1.0
366.24387	100.0
367.24756	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.8
57.03455	14.4
59.01380	5.9
65.01904	1.1
69.17563	4.8
69.17992	5.9
71.01366	5.3
72.99299	1.3
80.10571	1.2
83.01394	7.0
84.02158	5.9
85.02957	100.0
85.77386	1.1
86.03284	2.7
89.03954	2.0
93.03444	2.8
96.96017	2.4
99.67055	1.3
101.02502	1.4
111.00891	13.4
117.03456	8.2
123.04537	1.9
125.02432	3.2
129.01074	1.9
129.01958	17.9
129.56252	1.2
132.02153	1.9
133.02895	1.3
134.03754	77.7
135.04469	2.3
137.02443	3.5
147.03004	14.8
149.06099	12.0
160.01668	12.7
161.02374	3.2
161.06143	1.6
162.03258	1.9
162.06841	1.4
173.00893	4.5
173.04539	3.9
175.04018	26.0
176.04395	1.5
178.02711	2.8
179.03613	1.5
182.52379	1.2
187.07689	1.7
189.05603	1.4
191.02016	13.6
191.05612	3.9
193.05063	58.9
194.05409	3.5
201.05524	1.2
202.06288	1.6
204.07919	14.3
205.08652	9.1
207.06709	2.1
218.05878	1.7
225.41582	1.2
233.08189	2.0
259.07895	1.6
261.07709	15.4
262.07938	1.7
323.07886	2.8
389.32001	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.1
57.03452	15.5
59.01384	3.4
59.38552	1.3
61.37146	0.9
69.65087	4.3
71.01384	6.5
72.99320	4.8
74.08640	1.1
75.00890	1.3
83.01402	3.6
84.02187	2.5
85.02960	100.0
86.03310	2.0
105.45187	1.0
111.00900	3.1
117.03484	2.0
129.01965	15.9
132.02184	2.8
134.03760	23.1
147.01845	1.8
147.03015	33.7
149.02463	1.6
149.06122	2.0
160.01671	13.0
172.09792	1.1
173.00896	2.8
175.04013	19.2
176.04553	1.0
191.05675	2.3
193.05066	17.3
297.20322	1.0
323.07578	5.4
340.21716	0.9
364.16327	1.1
367.10580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.1
57.03449	13.1
59.01383	9.8
62.22499	1.0
67.01885	4.7
69.00966	10.3
69.01380	2.8
69.03475	1.5
71.01389	8.7
72.99309	1.7
83.01355	2.9
83.05010	1.1
83.74716	1.1
84.02165	1.2
85.02956	100.0
86.03294	2.1
87.00892	1.3
89.02479	1.7
89.03949	1.1
93.03470	25.9
101.02480	1.2
107.54807	1.2
111.00920	3.7
111.04530	5.5
117.03460	2.8
129.01950	6.3
132.02208	4.0
134.03752	33.6
137.02455	4.4
147.03003	30.6
149.06100	2.6
155.03506	4.6
160.01669	19.1
161.02133	1.8
173.04559	80.0
174.04884	3.4
175.04025	22.0
176.04430	1.6
187.06047	1.3
191.01991	39.8
191.05627	4.6
193.05070	24.2
194.05374	1.8
258.08270	2.3
323.07779	6.2
367.12247	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.1
57.03449	13.1
59.01383	9.8
62.22499	1.0
67.01885	4.7
69.00966	10.3
69.01380	2.8
69.03475	1.5
71.01389	8.7
72.99309	1.7
83.01355	2.9
83.05010	1.1
83.74716	1.1
84.02165	1.2
85.02956	100.0
86.03294	2.1
87.00892	1.3
89.02479	1.7
89.03949	1.1
93.03470	25.9
101.02480	1.2
107.54807	1.2
111.00920	3.7
111.04530	5.5
117.03460	2.8
129.01950	6.3
132.02208	4.0
134.03752	33.6
137.02455	4.4
147.03003	30.6
149.06100	2.6
155.03506	4.6
160.01669	19.1
161.02133	1.8
173.04559	80.0
174.04884	3.4
175.04025	22.0
176.04430	1.6
187.06047	1.3
191.01991	39.8
191.05627	4.6
193.05070	24.2
194.05374	1.8
258.08270	2.3
323.07779	6.2
367.12247	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	59.3
61.98838	27.1
70.55267	10.7
70.55576	14.4
71.01388	66.3
83.01412	15.4
85.02958	42.2
89.02447	28.9
96.45439	12.4
101.02458	40.6
104.65580	9.0
105.04712	10.1
106.54395	10.3
113.02469	16.7
125.02428	25.2
129.01978	11.7
133.90091	11.0
134.03743	46.3
154.02669	10.4
161.04662	22.8
169.05148	15.0
193.05051	47.0
221.10304	100.0
258.28781	10.9
367.16055	27.0
367.21158	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1036
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
50.37283	0.4
53.08300	0.4
55.26809	0.5
57.01876	0.5
57.03464	0.7
58.00607	0.6
59.01383	11.5
70.48663	0.5
70.48999	1.0
71.01387	9.5
72.99303	0.5
73.02947	1.6
74.33311	0.5
79.53618	0.4
81.03493	0.5
83.01370	1.1
83.05014	0.5
85.02952	3.7
87.00881	1.3
89.02455	8.3
89.03953	2.1
91.70444	0.4
93.03475	2.6
99.00908	0.7
101.02459	6.4
106.04295	0.5
109.02939	0.6
111.04540	3.1
113.02456	3.8
117.03475	7.9
119.03525	3.9
125.02391	0.6
127.04005	0.5
129.01987	0.7
134.03755	85.3
135.04111	3.3
137.02425	0.6
143.03505	1.5
149.06065	5.2
155.03497	2.6
161.04532	3.0
173.04590	5.5
179.05595	1.8
191.05634	6.3
193.05077	100.0
194.05400	6.2
205.14366	2.9
272.83560	0.5
281.89774	0.5
367.10400	4.9
367.15402	1.0
367.19876	3.0
368.10352	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1035
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
51.99219	0.6
57.03454	0.8
58.00602	1.0
59.01387	3.2
59.45580	0.6
60.99311	1.2
62.11442	0.6
62.17153	0.5
67.01907	7.3
69.03453	2.1
69.32320	4.2
71.01389	5.3
79.17510	0.6
81.03473	2.2
83.05037	1.1
85.02950	5.3
86.44446	0.6
87.00873	4.0
89.03991	0.9
93.03465	41.1
94.03814	0.9
98.22549	0.6
111.00880	1.7
111.04537	7.3
113.02393	0.6
116.02832	0.6
117.03502	2.4
118.55427	0.6
127.03950	0.8
129.01964	0.8
129.49165	0.6
134.03755	26.4
135.04088	0.8
137.02451	4.2
138.25052	0.7
149.06073	1.4
155.03519	4.7
160.01724	0.8
173.04562	100.0
174.04915	4.7
191.05629	44.5
192.05962	2.3
193.05075	17.1
194.05371	1.0
210.36984	0.7
334.18271	0.7
367.10480	3.3
367.14441	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1191
Annotation	Ciliatin B
Peak:m/z	Relative Intensity
50.45963	1.0
51.19648	0.8
57.03435	3.8
65.03901	0.8
67.01877	1.0
69.03452	3.1
69.17558	8.5
70.91447	0.8
80.60859	0.9
83.01392	6.3
93.03460	3.7
95.01405	1.4
95.05047	0.9
97.02960	3.4
108.02168	1.6
109.02967	5.0
120.02175	4.0
121.02965	8.6
125.02459	29.6
126.02787	1.4
134.03755	4.5
137.02464	60.7
138.02771	2.8
143.73926	1.0
146.03761	6.2
151.03975	1.3
158.03725	3.3
159.04509	1.7
161.09755	1.1
163.00403	11.4
164.01175	75.2
165.01947	100.0
166.02271	4.4
172.05315	47.4
173.05739	3.2
173.09859	1.2
174.03229	1.3
179.03487	4.7
181.06622	1.1
183.08199	1.5
185.06128	4.2
186.06860	4.2
187.07660	7.7
190.02696	1.6
193.05081	4.0
199.04016	2.5
199.07628	7.5
200.04648	2.8
200.08446	5.6
201.09232	77.4
202.09566	4.9
203.10773	2.6
209.06085	4.1
210.06999	1.4
211.04056	2.2
212.04736	1.9
213.05504	1.0
215.07162	1.0
223.03972	1.0
223.07579	2.7
224.04791	2.9
225.05475	1.8
227.07210	1.3
228.07913	2.5
229.08714	20.2
229.12259	1.4
237.05620	6.1
238.06233	1.8
239.10837	1.5
241.08852	2.3
246.05251	1.0
249.05479	1.0
250.06345	2.8
251.07121	11.1
252.07823	4.3
254.05757	3.3
255.10094	2.2
257.11810	1.7
263.10657	1.3
265.04874	1.5
265.08755	2.9
266.06003	1.2
266.09515	3.0
267.06613	1.1
268.07532	1.8
270.09045	2.0
279.06439	1.4
279.10406	1.4
280.07840	1.0
280.11050	5.2
281.11813	11.6
282.12292	1.4
283.09769	7.2
292.03784	1.4
294.09103	2.0
295.09866	1.1
295.13416	1.8
297.11353	2.1
299.12912	8.2
305.11789	3.4
306.05518	1.4
307.09900	1.3
320.07074	1.7
323.12936	16.2
324.13300	1.5
325.10721	2.6
339.12482	2.5
349.10803	15.0
350.11285	2.0
367.11887	62.8
368.12170	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
55.17188	1.4
57.03449	2.1
59.01381	100.0
66.17999	1.2
68.84091	1.1
69.03462	1.4
69.17795	10.0
71.01389	23.7
72.01701	1.4
72.99313	2.1
73.01170	6.7
73.02959	6.2
78.95906	1.4
81.03448	6.8
83.01376	2.6
83.05031	5.2
85.02958	12.2
87.00877	6.1
89.02457	13.3
93.03476	5.5
95.01409	2.2
97.06595	5.0
98.22412	3.8
99.00895	2.2
99.04532	9.7
101.02454	12.7
110.02503	6.5
111.04521	4.2
113.02464	7.3
115.02511	2.1
117.00234	4.2
117.03468	6.7
119.03515	3.8
122.06120	2.3
125.06078	1.8
127.03995	3.8
132.06671	3.5
133.07076	1.6
134.03757	74.6
135.04077	2.7
137.02431	3.0
141.00444	2.7
143.07167	15.3
145.05077	25.2
149.02475	1.9
149.06070	6.4
150.05624	5.5
151.03967	1.8
151.05930	3.7
152.03557	9.1
155.03555	3.3
156.99892	1.4
159.01457	1.3
161.04530	8.2
170.97792	2.0
171.03040	1.3
173.04538	7.1
185.03064	1.6
187.04623	2.4
187.06116	16.5
188.06676	1.3
190.17349	1.4
191.05600	4.9
193.05066	82.8
194.05389	3.5
205.07068	1.8
223.07486	1.3
224.99030	2.0
241.00484	1.6
243.02185	1.9
257.00082	1.3
281.03690	3.2
307.10370	59.8
308.10754	5.6
312.10770	2.2
313.11240	2.3
323.11368	3.4
324.98923	1.6
330.11908	4.4
331.08752	4.7
331.12354	4.0
334.15222	1.6
339.00601	1.7
367.10550	8.4
367.14172	4.6
368.11014	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95721	22.9
59.01387	24.2
68.42252	20.7
69.35448	41.7
69.35852	100.0
70.93192	20.2
74.17313	24.0
101.02473	19.8
162.13878	23.4
284.21869	24.7
367.21310	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
62.44894	12.5
83.01386	14.6
120.02064	12.5
125.00685	27.1
125.02437	42.4
134.03757	34.7
137.02455	54.3
137.33240	12.5
151.04060	14.3
164.01198	51.9
165.01985	62.6
173.06059	12.0
177.01953	30.5
179.03447	15.3
187.07526	22.6
190.02669	19.0
193.05070	36.2
200.04753	15.3
229.08647	38.4
281.11719	14.6
323.12888	25.9
345.49597	12.8
367.11716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12607	13.0
56.87688	10.4
57.03459	14.8
59.01363	35.8
60.19276	11.3
61.50242	10.8
69.08626	62.0
69.09050	64.1
71.01353	21.3
71.28958	12.1
81.75375	11.2
84.02244	10.6
85.02968	24.1
89.02471	12.3
93.03462	14.2
96.96018	29.3
101.02439	15.0
108.60799	11.0
123.04546	14.7
125.02477	27.2
134.03764	100.0
134.82376	11.4
145.17744	12.0
149.06009	15.9
173.04527	39.4
179.10695	24.1
190.06117	11.1
191.05576	18.1
193.05058	90.3
202.62007	13.7
203.55678	11.5
223.09682	11.7
259.06000	12.5
287.05679	18.4
367.14197	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38772	5.6
54.74885	5.2
57.03442	20.7
58.01272	5.9
59.01373	17.2
71.01385	10.2
71.31878	7.0
72.99312	12.4
82.90459	5.8
83.01405	17.9
85.02952	53.7
93.03463	12.8
96.96032	43.9
109.02969	6.3
111.00858	8.0
117.03495	8.5
125.02481	18.9
126.41476	5.5
129.01944	49.8
134.03748	100.0
135.04507	12.7
137.02458	15.3
149.06126	8.9
154.99852	13.4
160.01645	14.9
161.02330	9.2
164.01091	14.3
165.01917	9.5
172.85608	6.1
173.00943	42.4
173.04555	12.8
173.06056	5.5
175.04027	22.9
177.01935	8.6
179.03557	11.7
187.07672	13.5
191.05620	14.7
191.21819	6.7
193.05060	82.8
198.96721	5.6
213.17920	6.1
215.07127	7.4
215.36252	5.8
217.08734	5.9
229.08704	13.1
233.08258	6.1
247.25740	5.8
261.07678	16.0
275.53439	6.7
360.63977	7.4
367.11761	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29136	0.6
55.01884	5.8
57.03453	4.6
58.00590	2.1
59.01382	48.1
67.01542	0.6
69.03462	1.4
69.31458	3.6
71.01387	48.3
72.01711	1.2
72.99299	3.0
73.02948	20.3
75.00876	1.8
76.12288	0.5
81.03477	0.8
83.00934	1.0
83.01387	10.7
83.05049	0.7
84.02185	0.6
85.02956	31.3
86.03290	0.8
87.00883	3.7
89.02455	8.6
89.03987	1.3
93.03467	2.3
95.01398	2.8
97.02982	1.0
99.00890	8.7
101.02451	58.8
102.02764	1.8
111.00932	1.5
111.04499	1.5
113.02461	26.0
114.02807	0.8
115.04048	0.8
117.03477	5.0
119.03490	3.3
123.08325	0.6
125.02470	0.9
127.04013	0.7
129.01949	1.9
131.03514	32.8
133.06668	0.6
134.03752	59.4
135.04071	3.4
143.03514	2.5
145.05103	2.5
149.06104	3.5
155.03513	3.3
159.03015	4.7
161.04578	25.5
161.06044	1.7
173.04552	4.1
184.63181	0.6
191.05620	9.7
193.05067	57.5
194.05371	3.5
205.03465	0.7
205.05106	0.7
205.14503	1.0
218.49521	0.6
235.11877	100.0
236.12195	5.9
279.10800	1.2
333.13412	0.7
367.10452	2.4
367.15958	1.5
367.19879	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.9
57.03445	4.2
58.00572	1.7
59.01381	51.9
60.01699	1.0
69.03414	0.8
71.01385	54.2
71.05025	0.7
72.01694	0.8
72.99300	2.4
73.02950	21.3
73.06590	0.7
75.00874	4.6
80.36465	0.5
83.01387	12.4
85.02956	31.2
85.06572	0.7
86.00133	1.0
86.03278	1.1
87.00870	2.7
89.02451	11.8
89.03950	0.6
93.03482	0.7
95.01389	4.3
97.02962	1.8
99.00894	8.9
101.02448	61.5
102.02810	1.0
109.52688	0.6
110.73701	0.5
111.00848	1.4
111.04511	0.7
113.02458	25.3
114.02782	0.8
115.04032	1.4
117.03468	2.0
119.03493	2.2
125.02466	0.9
129.01938	1.3
129.05563	1.7
131.03514	31.7
132.03870	1.1
134.03748	21.2
135.04099	1.0
143.03505	2.5
145.05069	2.6
149.06100	1.1
155.03523	2.1
158.79066	0.6
159.02962	4.8
161.04558	28.2
173.04538	1.8
191.05621	2.8
193.05067	19.9
194.05331	1.4
205.14470	0.8
229.16121	0.8
235.11871	100.0
236.12233	5.3
237.06161	1.4
263.11319	2.1
279.10837	0.7
281.01608	0.6
367.15936	0.9
367.19812	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93393	1.4
53.29403	1.5
54.76468	1.4
55.01864	5.3
57.03446	3.1
57.09924	1.4
58.00585	5.3
59.01381	100.0
60.01697	1.6
61.98833	4.5
65.97213	1.2
69.30861	8.9
71.01388	91.7
72.01730	1.2
72.99297	5.7
73.02945	20.4
75.00858	5.3
75.76706	1.3
80.21815	1.4
80.39311	1.5
83.01385	12.4
83.05003	1.8
85.02953	38.8
85.06567	1.4
87.00869	5.3
89.02449	73.5
93.07077	2.2
95.01377	4.8
97.02937	2.3
98.21770	2.6
99.00874	7.3
101.02446	77.0
111.00838	1.4
113.02453	37.6
115.03999	1.8
119.03508	32.5
125.02428	2.0
129.01883	1.5
129.05560	1.8
131.03513	17.5
134.03731	1.7
143.03476	7.0
143.07077	1.4
149.04521	2.1
155.03412	2.0
159.02971	6.2
159.10272	3.5
161.04558	29.7
166.49857	1.2
179.05618	17.3
191.05672	1.7
193.05197	2.8
205.14439	27.2
206.14839	1.7
235.11864	44.3
236.12445	2.3
237.06213	2.0
263.11255	3.0
367.19714	54.2
368.19980	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.7
57.03444	4.6
58.00588	4.3
59.01383	100.0
60.01713	2.4
61.98830	4.0
69.51624	6.0
71.01388	81.2
72.01714	1.5
72.99303	4.7
73.02949	15.6
75.00870	3.8
83.01393	9.4
85.02957	31.0
87.00884	4.5
88.04249	1.1
89.02453	73.0
90.02743	1.3
93.07098	1.4
95.01395	5.9
99.00877	6.8
101.02447	60.1
113.02460	33.6
115.03993	1.7
119.02670	2.3
119.03510	34.2
125.02419	3.3
129.01942	1.5
131.03496	11.4
134.03731	1.9
143.03529	6.2
143.10793	2.1
148.07594	1.3
149.04555	1.7
155.03432	1.8
159.02997	4.4
159.10223	3.8
161.04562	26.2
173.11833	1.7
173.73367	1.2
179.05609	15.4
205.14449	23.5
210.40834	1.4
235.11906	24.9
236.12239	2.4
263.11569	2.2
367.19751	52.4
368.20071	4.6
373.97131	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2126
Annotation	Sinulaflexiolide B
Peak:m/z	Relative Intensity
53.79006	1.3
57.03445	1.9
59.01363	1.7
73.02943	3.2
83.05037	2.3
87.04517	2.1
90.62981	1.3
95.29710	1.3
96.96034	2.0
97.06548	1.5
99.04501	1.8
109.68157	1.2
119.08666	1.6
121.10247	2.9
123.08150	2.8
134.03728	3.7
135.08110	1.4
136.21561	1.5
137.09709	2.9
139.11327	7.6
139.67438	1.4
153.09227	3.2
155.10860	1.5
157.12309	1.5
181.08717	1.4
185.11864	20.8
193.05032	1.7
204.01544	1.5
214.12143	2.6
215.12831	3.7
243.16106	2.0
249.94333	1.5
251.12894	2.3
287.20184	2.2
305.21191	7.3
323.22382	7.5
349.20200	7.0
367.21249	100.0
368.21600	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2493
Annotation	Betaenone B
Peak:m/z	Relative Intensity
56.70644	4.6
62.21810	4.3
109.25349	4.7
122.74561	4.4
141.09184	7.5
141.10521	4.1
179.14499	5.2
193.05222	5.5
204.05098	5.4
273.22226	17.0
317.21201	53.5
318.21521	5.5
334.21805	5.1
335.22311	100.0
336.22574	12.8
349.23486	5.9
367.24902	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
69.12421	5.7
69.12822	2.0
84.98368	0.9
85.02932	1.4
93.61288	1.0
102.44675	1.1
113.09695	0.9
125.02452	2.4
127.79781	0.8
219.81523	0.9
253.68480	0.9
305.06540	5.7
372.56842	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41849	1.0
52.86775	1.0
57.02147	1.2
57.03440	1.8
58.00605	2.0
59.01096	2.2
59.01382	38.5
61.98833	60.1
62.98547	1.2
69.53471	6.1
71.01387	21.7
72.99314	1.9
78.95876	1.3
83.01398	1.5
85.02946	9.1
89.02450	34.2
92.60111	1.1
93.03477	2.0
101.02454	13.0
106.37511	1.2
108.02185	1.3
111.00902	1.3
113.02477	7.3
116.05087	5.9
119.03507	15.9
119.04973	1.2
125.02454	5.4
129.01933	1.8
137.02444	1.3
143.03499	1.6
144.04562	100.0
145.04883	3.8
161.04581	1.1
162.05531	1.4
165.01913	1.1
167.03511	2.6
168.03809	2.1
179.05608	2.5
188.03500	5.0
191.05647	1.6
205.03537	1.5
223.04585	4.0
246.79237	1.2
305.06726	2.4
368.09879	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	28.5
57.17322	14.6
59.01375	65.4
70.53835	16.2
70.78262	26.0
70.78618	37.0
78.91901	37.8
85.02969	100.0
93.03477	19.7
98.22612	15.1
111.00903	25.9
119.05023	49.9
120.60339	15.6
121.02771	15.0
125.02444	41.7
129.01901	17.9
134.03761	20.9
152.71605	16.6
163.04022	64.8
163.07579	27.6
188.50270	17.8
191.01982	24.1
191.05586	61.0
191.51852	15.2
192.05971	39.1
223.04608	61.8
286.23785	18.5
332.55569	17.6
342.34055	17.1
368.17740	50.1
385.41193	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.1
57.03450	21.4
59.01372	2.6
61.06623	1.6
62.81195	1.4
67.01916	3.3
68.99834	2.0
69.03460	1.5
71.01395	9.2
71.27412	1.7
73.02951	13.3
75.00903	1.5
78.95915	8.5
80.21666	1.3
83.01378	8.4
83.05010	2.5
84.02200	3.1
85.02958	100.0
87.00889	4.0
93.03470	38.4
95.62547	1.8
96.96014	14.0
96.96966	12.4
99.00903	4.4
99.04523	2.9
101.02457	5.0
105.03465	2.1
109.02978	2.3
111.00896	25.2
111.04543	11.4
112.04802	1.5
113.16517	1.6
119.05016	10.5
125.02548	2.1
125.65148	1.5
129.01955	39.9
131.08258	2.9
133.02972	11.8
135.98466	1.6
137.02457	12.1
141.35033	1.5
143.03531	3.1
145.02940	1.9
155.03539	5.4
161.04523	3.6
163.03979	8.5
173.04553	40.4
177.01913	3.5
177.04150	2.3
187.02510	1.6
191.05649	13.5
195.03008	3.7
200.31094	1.7
205.03569	19.1
215.05687	2.4
223.04611	32.8
232.90076	1.7
369.08023	22.1
369.12497	2.2
370.08154	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49696	2.7
55.01871	11.5
57.03453	14.4
59.01376	14.2
60.61741	3.1
61.47872	2.7
68.99814	3.1
69.27142	24.6
71.01389	28.9
72.99303	11.7
75.00887	3.8
83.00951	2.9
83.01398	33.8
85.02956	100.0
89.02442	5.6
98.21755	3.9
99.00885	7.5
101.02467	3.6
109.65643	2.8
111.00900	19.9
115.00404	6.0
117.45292	2.9
119.05038	63.3
125.02460	4.8
127.63956	3.1
129.01947	34.4
133.01453	4.4
143.03510	14.7
143.04814	2.7
143.08096	3.0
145.02940	18.9
146.08270	3.4
146.58540	3.5
147.02965	6.7
154.99908	5.1
163.04012	62.6
173.00943	31.5
191.01991	44.4
205.03548	3.2
223.04678	23.2
231.06607	4.0
261.73752	2.9
337.05606	4.1
370.18759	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14718	1.6
55.01874	5.9
57.03456	16.6
59.01377	5.6
59.33275	1.6
69.14578	5.1
69.14979	10.0
71.01385	8.6
72.99314	2.0
73.02947	2.3
83.01408	9.4
84.02144	2.6
85.02958	100.0
86.03276	2.5
101.02458	6.4
106.11723	1.7
106.37389	1.6
111.00890	34.2
119.05045	11.1
126.39738	1.7
129.01953	30.5
131.03546	2.0
147.03032	2.4
161.04567	2.2
163.04068	8.9
173.04532	4.1
191.00035	2.3
191.01987	4.8
192.00658	27.4
193.01088	2.3
202.20486	1.7
205.01649	2.3
205.03531	33.1
207.03001	34.6
208.03258	2.3
223.04597	98.6
224.04909	3.5
225.11407	1.8
271.41330	1.8
288.00519	1.6
363.54126	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29308	1.1
55.01874	5.2
57.03226	1.3
57.03456	15.6
59.01377	10.3
68.99814	1.7
69.34672	1.1
71.01029	1.9
71.01389	23.6
71.75529	1.2
72.99320	5.9
74.62733	1.3
75.00880	4.2
83.01399	19.0
84.02187	2.6
85.02957	100.0
86.03309	1.5
87.00873	2.3
89.02456	3.5
99.00880	3.8
109.02959	10.3
111.00893	14.9
115.00391	3.3
117.03422	1.4
119.05043	29.0
120.05382	2.1
121.02943	1.4
123.04528	3.5
125.02464	6.0
129.01953	20.5
133.01430	3.2
133.03001	1.3
137.02443	2.4
143.03540	9.5
145.02940	10.9
147.02962	8.0
149.27675	1.1
151.04001	3.0
154.99847	2.9
161.02487	2.2
163.04012	32.5
164.04381	1.8
173.00932	19.2
177.01920	8.3
191.01985	64.3
203.07169	1.5
205.03476	1.6
223.04601	35.8
231.06653	5.7
245.04245	1.3
289.07263	3.0
306.43561	1.1
325.39288	1.3
337.05524	2.3
369.08054	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.0
57.03453	20.1
57.85107	2.4
59.01382	5.6
61.78976	2.2
69.46064	4.1
69.46349	14.6
71.01391	13.0
72.99323	2.7
75.00848	3.1
78.91893	4.3
80.74844	2.4
83.01413	13.2
84.02198	4.7
85.02956	100.0
86.03264	2.4
87.00845	3.3
101.02462	9.9
101.06014	2.8
111.00887	34.2
119.05033	13.8
125.02454	3.1
129.01961	37.8
133.02979	2.6
141.68077	2.2
163.04037	13.3
168.95807	2.7
173.04604	4.3
183.38289	2.5
189.05617	2.6
191.05721	3.7
203.61757	2.5
205.03528	33.4
213.90202	2.3
221.01292	5.2
223.04620	93.1
224.05054	3.6
242.32904	2.3
275.60846	2.5
376.95047	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.1
57.03450	19.3
59.01392	3.4
60.99306	1.3
61.98852	1.4
62.71868	1.5
62.72181	1.2
63.01215	1.4
67.01897	3.1
69.41505	6.6
71.01392	10.2
72.99305	2.1
73.02946	1.7
74.32380	1.3
83.01397	10.3
84.02172	2.3
85.02956	100.0
86.03291	1.5
87.00862	4.1
93.03472	12.2
99.00892	1.7
100.38462	1.2
101.02457	7.1
105.03447	1.8
109.03012	2.2
111.00887	25.1
119.05035	12.5
125.02464	3.4
129.01950	36.0
130.02237	1.9
133.02959	16.6
133.05106	1.4
147.03017	1.3
161.04549	2.2
163.03976	7.3
173.04550	9.6
177.02003	2.1
191.05586	13.1
195.03012	1.9
205.03522	23.7
215.05707	2.8
223.04610	36.6
224.04993	3.1
238.47926	1.3
351.07227	2.2
360.15176	1.6
369.08194	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0976
Annotation	Styraxin
Peak:m/z	Relative Intensity
55.01877	3.5
65.00312	1.3
65.03970	2.2
67.01880	1.5
68.99818	1.1
71.01416	0.6
71.28677	0.6
79.05528	1.0
81.03448	2.9
83.01391	87.4
84.01717	1.7
84.58192	0.5
88.48651	0.5
89.03970	1.0
89.43329	0.5
91.01882	0.5
91.69705	0.5
93.03467	14.9
94.03851	0.5
95.01418	1.2
98.01431	0.4
100.08982	0.5
102.04752	1.1
107.05038	12.8
108.02182	36.7
109.02376	0.7
109.02988	10.3
115.05505	0.8
117.07117	3.6
119.05083	1.1
121.02965	81.6
121.09978	0.5
122.03851	7.5
123.00835	0.7
123.04557	0.8
130.04265	0.9
131.04990	0.6
133.02974	9.4
133.06592	2.0
134.03764	3.3
135.04541	5.2
136.01668	20.0
137.02466	12.7
138.02702	0.6
143.05049	1.3
145.02940	0.9
145.06616	3.3
146.03743	0.5
146.07426	0.7
147.08176	17.2
148.08571	0.8
149.02432	1.6
150.03235	13.5
151.04048	3.7
157.06586	8.8
159.04535	2.4
160.05321	5.3
161.06096	15.9
162.06821	2.5
163.03989	0.8
171.04486	0.7
173.06026	1.4
175.04056	0.6
175.07646	17.0
176.08032	0.7
179.03505	0.9
182.02225	10.0
183.02676	0.7
187.03993	1.3
189.05571	10.7
190.06371	2.7
191.03517	2.3
219.06628	4.4
233.04512	5.4
238.02884	0.6
295.09857	0.9
296.10547	13.9
297.11298	16.4
298.11740	1.8
325.10822	100.0
326.11160	10.2
340.09460	4.0
341.10159	0.8
346.39969	0.7
369.09793	53.9
369.22812	2.1
370.10162	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0982
Annotation	Styraxin
Peak:m/z	Relative Intensity
55.01875	4.2
58.15279	1.0
61.98829	1.3
65.00331	1.3
65.03951	2.2
67.01865	1.4
68.18273	1.1
70.12997	1.1
71.01374	1.8
73.24527	1.2
75.87730	1.1
83.01392	95.6
84.01723	1.9
93.03461	13.9
93.12732	1.1
96.96021	1.1
98.21748	2.5
105.43134	1.1
107.05030	11.6
108.02183	42.3
108.02937	2.1
109.02995	10.4
109.09670	1.1
115.05605	1.3
117.07108	4.5
121.02962	86.2
122.03838	9.2
123.04539	1.5
133.02959	12.2
133.06590	2.5
134.03717	4.4
135.04553	6.1
136.01665	20.6
137.02449	13.4
143.05040	2.0
145.06580	3.7
146.03720	1.1
147.08160	20.0
148.08539	1.7
149.02495	1.9
150.03215	13.5
151.03934	3.8
157.06593	10.9
159.04514	3.7
160.05302	5.9
161.06087	15.3
162.06813	2.7
173.06041	1.6
175.07666	18.3
182.02205	9.5
187.04005	1.7
187.88110	1.0
189.05582	10.6
190.06339	3.2
205.05040	2.0
219.06651	4.5
223.03737	1.3
233.04575	7.3
241.66060	1.0
296.10565	18.5
296.13873	0.8
297.11288	16.1
298.11890	1.6
319.67206	1.2
322.14478	1.3
325.10812	100.0
326.11200	9.7
340.09485	4.0
369.09808	55.1
370.09998	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1343
Annotation	Glyasperin B
Peak:m/z	Relative Intensity
50.34668	1.3
59.01375	6.0
69.03445	1.7
69.76489	1.2
76.81662	1.4
81.03468	1.6
83.01386	11.0
83.05033	1.5
90.57826	1.4
93.03485	3.7
95.01383	2.3
95.05051	2.0
97.02964	14.6
97.06610	1.3
109.02960	39.1
121.02968	7.1
121.06614	3.5
122.03752	3.8
123.04538	32.7
124.04930	1.6
125.02476	3.2
133.02940	1.6
135.04507	5.4
137.02489	2.4
139.04013	5.3
145.02982	3.4
146.03847	7.0
147.04555	2.9
149.02448	11.4
150.03242	2.2
151.04042	12.9
154.02740	2.6
159.04530	6.5
161.02470	5.9
161.06090	10.8
161.09732	5.3
162.03186	6.8
163.03966	5.1
163.07658	3.5
163.11311	1.7
164.07144	4.8
165.09210	1.6
175.04082	3.8
177.05624	2.5
187.04091	5.0
188.04831	2.9
189.02031	1.8
189.05516	2.2
201.05562	1.9
202.06320	2.0
203.03557	3.0
203.07141	10.5
204.04260	1.7
205.05077	22.3
205.08698	13.0
207.10295	9.0
217.08649	7.2
219.10295	4.2
229.04985	2.1
231.03020	2.7
244.07431	2.0
245.08197	4.8
246.08839	4.0
247.06194	12.8
247.09810	4.9
259.09689	6.7
265.93793	1.7
283.13425	3.1
301.14450	2.1
325.14401	19.9
325.23846	5.4
326.14615	2.7
369.13449	100.0
369.22952	13.9
370.13855	12.7
386.52167	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1347
Annotation	5,3',4'-Trihydroxy-7-methoxy-8-C-prenylflavanone
Peak:m/z	Relative Intensity
62.42702	1.6
63.27042	1.4
64.10369	1.5
69.03462	1.7
70.93446	1.7
70.93956	3.5
78.28465	1.6
81.03439	2.8
83.01393	6.5
93.03480	2.9
95.01422	2.6
95.05054	2.6
97.02959	8.6
108.02192	3.8
109.02959	42.7
121.02991	4.0
121.06660	3.6
122.03765	2.5
123.04533	30.7
133.02957	1.8
135.04512	2.0
137.02420	2.2
139.04019	3.9
145.02965	2.4
146.03746	2.5
149.02490	12.3
150.03232	2.5
151.04022	11.6
159.04535	4.0
161.02466	7.2
161.06131	8.5
161.09663	2.7
162.03304	2.5
163.04025	2.5
175.03993	4.2
175.07585	2.3
176.01170	2.9
177.05663	3.0
177.09071	1.9
187.03999	3.0
188.04816	3.5
189.05566	3.6
202.06277	2.0
203.03574	3.6
203.07146	9.1
205.05122	13.6
205.06674	2.0
205.08679	13.0
207.10237	8.8
217.08711	10.2
219.10286	4.3
231.02855	1.9
240.35124	1.8
245.08173	7.1
246.08975	3.8
247.06136	7.6
247.09760	2.4
259.09769	4.5
283.13467	4.5
301.14337	2.9
312.24344	1.6
325.14502	12.9
325.23880	2.2
369.13455	100.0
369.22995	3.1
370.13766	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2285
Annotation	19-hydroxyprostaglandin H1
Peak:m/z	Relative Intensity
59.01363	0.8
71.05025	0.8
73.02928	0.7
74.57655	0.6
80.31492	0.6
97.06582	1.1
123.08100	0.9
128.31171	0.7
137.09741	1.6
139.11317	7.0
141.12866	1.6
155.10828	0.8
157.12347	4.1
160.95091	0.7
167.10779	1.3
185.11842	32.8
186.12193	1.2
213.11237	1.8
214.12088	2.7
215.12733	1.0
224.68054	0.8
243.15915	1.1
243.39523	0.7
289.21713	0.8
307.22836	6.7
323.22327	3.3
324.06488	9.4
325.23849	100.0
326.24240	13.0
333.20938	3.3
339.08823	4.9
351.21906	2.0
354.11115	3.7
369.13379	4.9
369.22833	69.1
370.05191	0.7
370.14252	1.0
370.23251	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2437
Annotation	19-Furan-2-yl-nonadeca-5,7-diynoic acid methyl ester
Peak:m/z	Relative Intensity
52.70513	1.0
63.31715	0.8
63.86534	1.0
69.09855	6.8
77.65791	0.8
104.02677	0.9
133.10258	2.5
161.09711	1.8
163.11301	100.0
164.11676	5.9
179.10802	20.8
180.11008	1.3
193.12350	25.2
194.12639	2.5
222.61058	0.8
232.35321	0.8
267.13571	0.9
301.21747	1.2
312.79874	0.9
328.58597	0.9
337.21725	12.7
338.22137	2.1
369.24368	82.1
370.24670	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3012
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
59.69672	1.6
70.56335	3.8
70.56659	1.9
80.49277	1.8
94.13332	1.9
98.67899	1.9
144.26186	2.3
193.60118	1.7
256.95361	1.8
307.30103	34.9
308.30289	2.4
351.29001	10.5
369.30127	100.0
370.30414	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20906	0.8
51.29036	0.8
57.03441	1.6
59.01381	10.2
61.98838	1.3
71.01392	6.0
71.30058	1.3
72.99310	1.9
81.03449	1.0
83.01371	0.9
85.02955	13.8
86.03294	2.1
87.00870	0.8
89.02461	3.8
92.05064	75.2
93.03437	0.9
93.05385	2.7
95.05035	1.1
99.04501	0.9
99.38898	0.9
101.02456	4.6
101.49352	0.8
102.03499	10.0
109.02974	1.5
109.46409	0.8
111.00895	1.4
113.02438	3.2
116.05075	4.9
119.03493	2.4
119.05032	1.7
121.02955	1.5
123.04494	3.4
125.02459	2.4
129.01913	2.2
131.04982	1.0
132.04550	1.4
133.02859	0.9
134.03674	1.0
134.06105	0.7
135.04587	6.1
136.04050	100.0
137.02434	1.7
137.04379	3.6
146.02489	27.4
147.02916	1.5
147.04468	1.8
149.02408	1.4
149.06033	2.0
150.03244	1.3
160.04051	1.3
163.04018	1.5
165.05600	2.6
166.33560	0.8
167.03461	4.0
171.06657	1.8
172.06953	2.1
173.04530	2.8
178.05051	5.1
179.03496	3.6
190.01480	1.7
191.01872	1.7
191.03493	1.7
191.05579	1.9
192.02190	0.9
193.05087	6.8
194.05614	3.1
197.04532	2.3
208.02499	4.2
209.02971	6.5
209.04652	2.3
209.08168	6.6
244.76193	0.8
251.05630	1.6
289.07272	1.0
370.07651	0.9
371.09656	2.4
380.86969	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	10.9
59.01096	6.3
59.01383	100.0
66.58482	5.4
71.01387	67.4
71.27353	5.8
72.54451	5.5
72.99315	12.8
80.91699	6.0
83.01414	9.9
85.02957	74.2
87.00890	5.4
89.02457	82.3
93.03482	6.3
95.01380	7.3
101.02445	43.4
102.54353	4.7
104.34859	5.2
109.02952	6.4
111.00935	7.3
113.02464	26.7
119.03495	36.8
121.02950	5.3
123.04484	5.8
125.02476	17.0
134.03745	10.0
137.02446	13.1
143.03491	5.9
150.03239	26.4
153.77058	4.2
161.04526	5.8
165.05577	41.2
179.03557	4.9
179.05606	8.5
190.05879	4.2
191.02155	5.0
191.07184	24.2
195.05109	5.3
203.07138	5.2
209.08180	11.2
288.05939	8.2
289.07132	22.7
371.13474	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96155	13.5
59.96485	13.2
60.78774	12.8
61.35344	13.3
69.15474	100.0
69.15874	28.0
79.79463	11.2
85.02963	19.5
92.34853	14.0
121.02999	19.9
165.09174	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
63.60909	13.3
65.09277	13.5
67.69987	12.9
69.06166	100.0
69.06570	33.4
70.01482	13.6
71.01379	40.3
75.00853	14.4
85.02937	27.3
98.21777	21.8
99.00920	21.4
101.95827	13.0
102.42172	14.2
113.02419	24.8
121.02900	23.6
126.75911	16.2
149.14398	15.6
151.03932	17.4
161.04539	34.4
369.85687	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
57.03450	10.2
59.01378	14.3
61.98833	1.1
67.01884	1.4
69.15936	1.0
70.13153	2.4
70.13547	1.9
71.01387	13.9
72.99320	5.2
73.02930	1.8
75.00880	4.3
80.80671	1.1
83.01410	1.2
84.02172	1.9
85.02953	77.9
86.03319	2.1
87.00882	6.9
88.24490	1.0
89.02457	5.6
89.19318	0.9
93.03474	5.1
98.21879	1.2
98.22392	1.4
99.00880	1.5
101.02441	2.4
103.00362	2.3
111.00881	4.8
113.02399	1.0
115.00401	1.6
117.96126	1.0
119.03502	2.0
123.04556	1.6
129.01938	7.7
130.06648	2.0
133.01422	4.6
134.03786	2.2
135.04533	32.1
136.04897	1.1
137.02367	1.2
147.03012	4.4
148.05296	1.7
149.16098	0.9
167.03525	1.4
173.00948	1.8
173.04584	12.1
179.03500	3.8
191.00229	1.9
191.01970	28.2
191.03632	2.1
191.05618	2.8
197.04565	6.1
206.49629	1.0
209.03029	100.0
210.03423	3.9
220.43828	1.0
235.06061	3.3
265.07181	3.4
266.99103	1.1
335.13336	1.5
353.08572	1.8
371.05716	1.6
371.09869	6.9
371.15237	2.7
372.13025	2.0
393.13251	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72466	0.6
57.03448	1.2
59.01384	4.7
60.99291	2.3
67.01886	4.1
69.03445	0.8
71.01383	4.2
71.27042	1.2
72.99294	0.8
73.02961	1.1
74.07796	0.8
79.95766	0.6
83.05025	0.7
85.02962	10.9
87.00883	8.8
88.89290	0.6
89.02444	0.7
93.03464	25.7
94.03802	1.5
95.01421	0.9
101.02463	0.9
109.02948	2.1
111.04543	5.1
122.03703	0.9
123.04516	1.6
125.02419	1.6
127.04039	2.2
135.04535	28.5
136.01671	1.1
136.04855	1.2
137.02449	1.6
151.03987	2.5
153.05577	3.3
155.03510	1.5
167.03516	2.4
168.99968	0.8
173.04561	22.9
177.01918	1.1
179.03510	0.9
191.05623	100.0
192.06023	3.3
196.59100	0.7
197.04556	1.6
209.02991	1.2
209.08119	1.1
225.05380	0.8
243.03087	0.9
251.05707	0.8
289.01208	0.8
341.08853	7.0
342.09042	1.0
353.08826	1.6
371.06058	1.1
371.09833	29.2
372.10049	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.1
67.01900	0.3
67.72848	0.3
69.68170	0.6
69.68587	1.3
71.01372	0.5
81.03478	0.3
83.04996	0.4
85.02962	1.2
87.00855	0.7
93.03461	2.5
95.10030	0.3
98.22282	0.7
107.05051	0.6
109.02975	1.5
111.04528	1.8
115.36253	0.3
123.04552	3.9
129.01866	0.4
134.03781	1.5
135.04535	100.0
136.04857	4.1
137.02455	1.1
146.88077	0.3
153.05582	4.0
155.03510	1.7
167.03474	3.4
173.04562	7.9
173.08246	0.5
174.04900	0.6
179.03539	2.7
191.05608	8.3
192.05971	0.3
193.86209	0.3
197.04558	8.5
238.65103	0.3
308.44302	0.3
331.25476	0.3
341.08749	2.1
353.08774	1.4
371.09805	5.9
372.10431	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.0
58.52707	0.5
58.99604	0.7
59.01386	2.4
60.99314	0.9
67.01888	2.2
69.03448	0.8
70.68996	1.2
71.01382	1.7
81.03472	0.6
83.05006	0.6
83.05949	0.5
85.02956	6.8
87.00879	4.7
89.02444	0.5
93.03469	16.1
109.02979	1.6
111.04517	4.4
121.02991	0.7
123.04533	3.7
127.04018	1.8
129.01929	0.7
134.03758	1.8
135.04538	100.0
136.04843	5.1
137.02463	2.2
148.04080	0.5
153.05556	4.5
155.03490	2.6
161.02481	2.3
166.05095	0.5
167.03545	2.9
173.04556	20.8
173.06055	1.1
174.04868	0.8
175.33519	0.4
179.03513	2.8
191.05623	97.0
192.05989	3.7
197.04561	8.9
208.29088	0.6
231.67413	0.6
341.08786	4.9
353.08685	3.9
354.08649	0.6
371.09827	20.0
372.10254	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.5
62.89616	0.4
66.82366	0.4
67.01863	0.6
69.67314	1.3
69.67722	0.5
72.99330	0.5
73.53316	0.4
83.05010	0.5
85.02949	0.6
85.55063	0.4
88.74926	0.3
89.45119	0.4
93.03461	3.7
98.22344	0.9
109.02988	0.4
111.04536	2.4
121.02999	0.6
123.04535	5.8
134.03772	0.7
135.04533	100.0
136.04866	4.4
137.02461	0.9
151.04021	0.5
153.05577	7.0
154.05980	0.5
155.03528	1.7
167.03508	5.7
173.04553	16.8
174.04842	0.5
179.03545	1.7
183.82170	0.5
191.05635	4.9
197.04562	20.1
198.04985	1.0
237.14932	0.4
305.60385	0.4
341.08887	2.3
353.08902	0.8
371.09723	4.3
372.10266	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28890	0.8
54.47711	0.9
57.03436	3.2
59.01100	1.4
59.01385	20.7
68.99802	2.7
69.03443	2.2
69.30556	7.4
71.01385	22.9
71.31996	1.0
72.67255	0.8
72.99311	7.0
73.02941	2.7
75.00880	18.9
83.01418	1.6
83.05029	1.1
85.02955	24.5
85.20769	1.0
87.00879	7.1
89.02436	5.5
93.03490	1.7
95.01380	5.3
97.02961	1.3
99.00882	11.7
103.00380	2.7
109.02921	1.2
111.00902	1.7
111.04527	1.6
113.02457	25.5
114.02842	1.1
115.00398	2.9
117.01968	4.8
121.02966	100.0
122.03314	4.8
129.01959	2.0
135.04538	3.8
148.99089	1.2
166.02701	2.6
175.02489	3.3
195.05212	1.3
231.03183	1.0
231.05096	6.4
232.01706	0.9
249.06158	75.8
250.06514	3.9
329.08966	1.7
371.09808	41.1
372.10156	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03728	1.5
59.01376	2.6
66.06577	1.6
69.05918	10.5
69.06333	4.9
69.67971	1.8
71.29088	1.6
75.21471	1.6
78.03385	1.7
93.03539	1.6
93.28291	1.8
98.22557	3.9
108.02195	3.1
109.02962	67.2
110.03271	3.7
121.02954	5.1
133.76672	1.8
136.01680	26.6
137.02194	1.7
143.05022	1.7
145.03003	3.8
146.03760	1.6
146.24744	1.9
149.02444	1.9
151.04025	31.6
151.05168	1.1
152.04344	2.0
158.03751	2.4
159.04530	15.9
160.05313	52.4
161.05666	3.0
164.04758	2.9
174.03271	1.9
175.04097	2.1
175.07654	30.7
189.05566	2.6
209.08167	3.7
211.07719	3.3
221.06235	2.5
238.06294	2.2
239.07121	18.1
249.05507	3.0
250.06471	7.9
266.05865	4.5
267.06628	100.0
268.07013	10.5
281.08267	1.7
282.08975	63.6
283.09235	8.6
297.11304	70.5
298.11749	6.4
312.06909	2.4
312.10110	13.0
321.06088	1.7
327.08496	3.7
327.12433	77.4
327.25467	2.1
328.12561	8.2
341.10440	3.8
355.08420	3.0
356.09015	4.0
364.81375	1.8
371.11285	15.8
371.15213	4.2
371.24319	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	12.0
68.99809	2.6
71.01373	8.3
73.02924	2.3
75.00877	4.9
80.66068	2.2
89.02431	4.7
98.21825	6.5
101.02446	5.6
108.02184	12.7
109.02963	9.8
117.03507	2.0
121.02929	3.8
123.04530	8.7
130.08707	2.5
132.02203	2.8
133.02972	7.0
134.03746	3.9
145.02972	6.6
146.03807	5.0
147.00867	3.3
147.04482	4.2
148.01688	8.2
149.02431	5.2
149.06088	2.6
150.03214	4.4
158.03714	4.7
159.04590	3.9
160.01611	3.3
160.05307	5.4
161.02477	7.1
162.03242	5.3
163.04013	7.3
171.00906	2.9
171.04501	2.3
171.11899	2.6
173.02438	5.4
174.03229	8.8
175.04053	6.4
177.05576	4.5
186.03226	2.9
187.04041	5.5
188.04797	2.3
190.02705	3.3
194.70073	2.7
197.06033	5.1
201.02043	3.5
202.02705	4.4
203.03505	6.2
203.33342	2.0
207.04646	2.6
209.06029	9.9
209.11859	2.8
210.06798	4.0
211.07565	4.8
217.05060	6.5
221.06093	7.5
222.06891	2.8
223.07559	5.8
224.04829	9.6
225.05527	20.9
226.06226	3.6
233.06148	2.8
236.04811	11.5
237.05588	27.9
238.06375	14.2
239.07202	12.6
240.07652	2.5
248.04826	4.4
249.05502	14.5
250.06604	12.8
251.03491	8.4
251.07112	8.5
252.04269	14.4
253.05051	57.6
253.08913	3.1
254.05762	11.7
255.06564	3.9
264.04221	7.8
265.05069	39.7
265.07852	4.1
266.05786	21.8
267.06622	45.1
268.07385	51.8
269.04868	3.3
269.08118	11.2
276.04279	2.7
277.04965	10.7
278.05692	6.6
279.06595	14.0
280.07452	12.7
281.04617	10.5
281.08188	24.7
282.05377	7.3
282.08951	46.4
282.12091	2.9
283.06039	7.8
283.09543	8.9
284.06821	3.9
291.06564	3.3
293.04550	25.8
294.05283	4.8
294.08981	6.8
295.06107	17.4
295.09598	4.6
296.06888	32.5
297.07562	12.1
297.11343	17.6
298.08505	8.4
299.09311	9.1
305.04724	3.7
306.05295	2.7
307.06219	5.1
308.06854	20.7
309.07568	9.3
310.04913	5.7
310.08490	12.9
311.05661	11.5
311.09204	62.9
312.09845	7.2
313.07214	2.3
313.10843	6.8
323.05615	5.2
323.09198	40.9
324.09561	3.4
325.07205	20.4
325.10797	3.7
326.08017	30.5
326.11597	4.1
327.08640	4.6
327.12454	3.6
338.08136	6.0
339.08823	2.9
340.09528	45.4
341.06686	5.9
341.10278	100.0
342.10699	8.3
353.10321	15.2
354.10980	3.2
355.08249	4.0
356.08990	43.8
357.09338	3.2
371.06744	5.4
371.11383	81.6
371.16769	9.5
371.21024	4.4
372.11713	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	12.0
68.99809	2.6
71.01373	8.3
73.02924	2.3
75.00877	4.9
80.66068	2.2
89.02431	4.7
98.21825	6.5
101.02446	5.6
108.02184	12.7
109.02963	9.8
117.03507	2.0
121.02929	3.8
123.04530	8.7
130.08707	2.5
132.02203	2.8
133.02972	7.0
134.03746	3.9
145.02972	6.6
146.03807	5.0
147.00867	3.3
147.04482	4.2
148.01688	8.2
149.02431	5.2
149.06088	2.6
150.03214	4.4
158.03714	4.7
159.04590	3.9
160.01611	3.3
160.05307	5.4
161.02477	7.1
162.03242	5.3
163.04013	7.3
171.00906	2.9
171.04501	2.3
171.11899	2.6
173.02438	5.4
174.03229	8.8
175.04053	6.4
177.05576	4.5
186.03226	2.9
187.04041	5.5
188.04797	2.3
190.02705	3.3
194.70073	2.7
197.06033	5.1
201.02043	3.5
202.02705	4.4
203.03505	6.2
203.33342	2.0
207.04646	2.6
209.06029	9.9
209.11859	2.8
210.06798	4.0
211.07565	4.8
217.05060	6.5
221.06093	7.5
222.06891	2.8
223.07559	5.8
224.04829	9.6
225.05527	20.9
226.06226	3.6
233.06148	2.8
236.04811	11.5
237.05588	27.9
238.06375	14.2
239.07202	12.6
240.07652	2.5
248.04826	4.4
249.05502	14.5
250.06604	12.8
251.03491	8.4
251.07112	8.5
252.04269	14.4
253.05051	57.6
253.08913	3.1
254.05762	11.7
255.06564	3.9
264.04221	7.8
265.05069	39.7
265.07852	4.1
266.05786	21.8
267.06622	45.1
268.07385	51.8
269.04868	3.3
269.08118	11.2
276.04279	2.7
277.04965	10.7
278.05692	6.6
279.06595	14.0
280.07452	12.7
281.04617	10.5
281.08188	24.7
282.05377	7.3
282.08951	46.4
282.12091	2.9
283.06039	7.8
283.09543	8.9
284.06821	3.9
291.06564	3.3
293.04550	25.8
294.05283	4.8
294.08981	6.8
295.06107	17.4
295.09598	4.6
296.06888	32.5
297.07562	12.1
297.11343	17.6
298.08505	8.4
299.09311	9.1
305.04724	3.7
306.05295	2.7
307.06219	5.1
308.06854	20.7
309.07568	9.3
310.04913	5.7
310.08490	12.9
311.05661	11.5
311.09204	62.9
312.09845	7.2
313.07214	2.3
313.10843	6.8
323.05615	5.2
323.09198	40.9
324.09561	3.4
325.07205	20.4
325.10797	3.7
326.08017	30.5
326.11597	4.1
327.08640	4.6
327.12454	3.6
338.08136	6.0
339.08823	2.9
340.09528	45.4
341.06686	5.9
341.10278	100.0
342.10699	8.3
353.10321	15.2
354.10980	3.2
355.08249	4.0
356.08990	43.8
357.09338	3.2
371.06744	5.4
371.11383	81.6
371.16769	9.5
371.21024	4.4
372.11713	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
62.61708	17.0
70.39609	41.3
71.01398	26.8
78.75588	17.8
85.02908	18.3
93.03481	29.0
111.04490	18.9
119.39761	19.3
137.02397	34.4
164.78978	18.8
167.10518	18.3
191.05588	100.0
202.26271	19.9
371.11856	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1347
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
52.46352	0.7
59.01381	48.1
69.39502	1.6
69.39904	4.5
71.01366	2.4
84.63097	0.8
85.02944	2.1
89.44191	0.8
93.03456	1.2
100.68156	0.8
101.02450	1.1
102.63997	0.8
106.04246	1.8
108.01492	0.7
114.36543	0.7
121.02973	1.0
128.14145	0.7
143.40121	0.8
147.08153	3.7
149.06088	62.1
150.06407	3.6
163.50014	0.6
173.04350	0.7
185.33847	0.8
191.05597	0.9
209.08194	100.0
210.08563	6.9
223.55043	0.9
326.16043	0.7
371.13495	38.5
372.13678	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1348
Annotation	Multifidol glucoside
Peak:m/z	Relative Intensity
50.20850	0.8
55.01861	1.0
57.03449	1.7
59.01380	6.1
64.48805	0.8
69.04151	4.8
69.04580	4.3
71.01385	7.9
72.99316	6.5
73.02945	2.1
75.00878	1.7
81.03476	3.4
83.01412	2.0
85.02956	15.2
86.03268	1.3
87.00888	16.6
89.02457	2.2
90.97276	0.7
93.03454	1.7
95.05052	1.6
97.02991	1.5
99.04550	3.3
101.02457	3.3
109.02978	3.4
111.00912	2.2
111.04544	1.0
113.02467	3.0
119.05036	1.1
121.02968	6.3
123.04546	3.4
125.02461	8.8
129.01956	1.9
134.03745	2.5
135.04558	8.3
137.02449	6.6
137.06178	1.5
147.04558	5.5
149.06075	1.3
150.03230	12.4
151.03996	6.2
159.04721	0.9
161.04614	1.2
163.04066	2.4
165.05592	7.3
167.03503	17.1
173.00946	1.0
173.04558	2.8
177.01845	1.0
178.02740	9.7
179.03514	61.0
180.03851	2.7
185.98158	0.8
191.01941	2.2
191.03514	13.6
191.05373	1.4
191.07172	0.9
192.03886	1.8
193.05070	98.9
194.05835	51.8
195.06258	2.6
197.04597	9.1
208.07439	25.6
209.02960	5.9
209.04607	34.2
209.08194	100.0
210.04947	2.0
210.08493	7.3
221.04588	1.2
222.53888	0.8
225.05193	0.9
237.83519	0.8
251.05634	3.3
251.09297	1.4
281.06400	1.3
287.07748	1.6
289.07471	1.0
371.09726	4.6
371.13864	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70621	0.3
57.03461	0.4
59.01361	0.9
65.00324	0.7
69.06350	0.6
69.06744	2.2
81.03468	5.9
83.01372	1.1
91.17984	0.3
95.05022	0.6
99.08138	1.2
101.06084	0.8
107.01384	0.7
107.16998	0.3
108.02170	1.0
110.58580	0.3
123.04544	0.7
123.08192	3.0
125.02460	5.3
125.06097	5.4
134.84251	0.3
136.05312	0.7
137.06062	0.4
141.09225	0.6
147.08113	1.4
149.02345	0.5
150.06857	0.3
151.00363	1.2
165.09222	24.0
166.09567	1.7
167.03482	0.5
167.07219	0.3
179.10757	0.4
191.07166	2.0
198.77049	0.3
204.89273	0.3
209.08199	100.0
210.08556	6.2
233.08186	0.7
251.09195	3.3
281.10263	0.4
326.07947	0.7
334.10004	0.3
341.10385	0.8
371.14435	0.7
371.24573	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.135
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
57.03438	0.9
59.01374	1.3
65.00311	0.5
69.46790	0.3
71.01371	0.8
73.02930	0.4
81.03462	4.8
83.01387	1.4
84.36315	0.3
85.02966	0.4
87.04535	0.4
89.02438	0.7
99.08148	0.5
101.06077	0.5
107.01402	0.6
109.02977	0.4
113.02477	0.3
122.03769	2.0
123.08167	2.5
125.02464	6.7
125.06078	4.2
135.04474	0.3
137.05977	0.3
149.02495	0.7
151.00348	1.4
165.09215	25.3
166.09563	1.6
171.10286	0.5
176.13948	0.3
191.07150	0.9
202.76237	0.3
205.08649	0.4
209.08200	100.0
210.08548	7.5
233.08153	0.6
251.09268	0.7
298.08517	0.4
311.12741	0.3
327.25516	0.4
341.10275	0.8
342.51447	0.3
353.23190	0.3
356.12692	0.7
371.14682	1.2
371.24408	3.6
372.14828	0.4
372.25034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
57.03447	1.8
58.00600	3.4
59.01384	100.0
60.01707	1.2
70.63495	3.0
71.01388	54.3
72.99313	3.6
85.02961	50.3
87.00847	2.2
89.02451	85.5
90.02797	2.3
93.03489	2.1
95.01376	2.6
101.02454	28.6
102.02777	1.4
107.97645	1.4
113.02457	22.6
119.03519	36.4
119.52448	1.3
120.03790	1.6
125.02431	1.8
131.03506	3.8
135.04504	1.3
143.03514	3.1
143.64050	1.2
146.15440	1.3
149.04591	2.4
161.04622	2.8
163.23669	1.3
168.07764	1.5
179.05647	7.0
182.35588	1.5
191.07161	23.0
192.07364	1.8
193.05116	1.5
268.55368	1.2
283.86111	1.6
371.13583	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.135
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
50.89702	13.5
57.03449	43.6
60.79875	14.1
69.47044	91.0
74.87933	12.9
89.02445	18.8
137.02457	18.5
151.03995	27.7
161.04588	15.6
163.07664	72.5
163.19308	13.6
165.05736	15.1
194.05791	35.4
209.08235	100.0
348.68643	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31216	0.3
59.01359	0.9
69.04940	3.2
171.04411	0.7
199.04033	4.6
200.83186	0.4
209.08154	0.5
211.03932	0.4
227.03551	3.8
241.01317	0.5
242.02187	4.4
243.02701	0.6
254.02147	1.6
255.03003	18.5
256.03323	2.1
257.04541	3.2
267.06558	1.8
270.05304	0.9
272.06848	2.1
274.04843	0.5
282.08884	0.7
283.06241	1.7
293.04541	0.4
297.11343	0.6
298.08469	1.2
308.06790	0.4
309.07724	0.7
313.10846	1.7
324.09988	0.7
326.07959	100.0
327.04556	0.7
327.08328	10.0
341.10306	88.2
342.10638	10.5
356.12671	74.9
357.13046	9.5
358.10583	2.3
371.15002	71.6
371.24203	2.4
372.15378	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2441
Annotation	19(R)-hydroxy-PGF1alpha
Peak:m/z	Relative Intensity
57.03445	1.1
58.00583	0.5
59.01375	0.9
65.63661	0.4
69.02629	4.0
71.01386	0.6
72.41815	0.4
73.02945	1.8
77.16233	0.4
87.04504	1.4
97.06596	1.5
98.22507	1.0
123.08196	1.7
125.09747	4.6
127.11347	0.5
137.09766	0.8
139.11310	1.8
141.09291	0.7
141.12849	1.0
143.10809	0.6
151.11290	0.5
153.09219	0.8
155.10759	0.6
160.85796	0.4
169.12387	0.6
171.10274	12.1
172.10609	0.8
185.11867	2.1
201.11392	0.4
215.12907	0.9
227.12846	0.6
228.13684	0.7
283.38873	0.5
311.22141	0.9
323.22351	0.9
341.10425	0.6
341.23349	8.4
342.23657	1.2
353.23517	2.2
369.22980	0.8
370.22476	0.5
371.24399	100.0
372.24750	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2443
Annotation	19(R)-hydroxy-PGF1alpha
Peak:m/z	Relative Intensity
55.28293	0.4
57.03432	0.5
59.01379	0.8
64.72052	0.5
69.05621	3.8
73.02935	0.8
83.05005	0.6
87.04491	0.6
92.41166	0.4
97.06600	1.9
107.20844	0.4
113.06042	0.7
123.08160	1.3
125.09760	3.2
126.85226	0.4
127.11330	0.6
137.09758	0.7
139.07733	0.5
139.11302	1.3
141.12856	0.9
143.10834	0.5
151.11349	0.7
152.22298	0.5
153.09206	0.9
155.10838	1.0
171.10294	10.6
172.10564	0.6
185.11858	3.4
200.10519	0.6
201.49384	0.5
214.12071	0.9
215.12898	1.0
241.14217	0.4
243.16074	0.7
272.47842	0.4
311.22351	0.8
326.07974	1.7
341.10269	1.7
341.23325	7.1
342.23621	1.2
353.23407	1.9
356.12650	1.4
369.22653	1.0
371.24408	100.0
372.20160	1.0
372.24762	11.6
391.28394	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82536	0.3
57.03440	0.8
59.01360	1.3
63.31776	0.3
69.03458	0.3
69.16130	1.3
69.16558	1.5
71.05027	0.7
73.02935	1.2
78.95900	0.7
79.49540	0.4
79.95844	0.3
85.06651	0.4
87.04518	1.3
95.05033	0.6
97.06577	3.0
107.46505	0.4
112.34116	0.3
112.50629	0.4
123.08155	1.3
125.09725	2.4
127.11298	0.4
129.44849	0.4
135.04539	0.6
137.09689	0.6
139.11317	2.0
141.12891	0.8
151.11237	0.7
153.09250	0.5
155.10765	0.8
157.12343	0.6
171.10284	5.1
185.11833	8.8
186.12184	0.6
191.29002	0.4
201.11324	0.4
213.11310	0.8
214.12106	1.5
215.12849	1.4
241.14337	0.4
243.16077	1.6
254.98259	0.4
268.25800	0.4
283.09985	0.8
311.22299	1.2
323.22232	0.8
327.07785	0.6
341.23334	6.2
342.23581	0.7
353.23389	2.0
354.23785	0.4
369.22852	0.5
371.24414	100.0
372.24734	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.0
59.01373	2.1
60.24702	0.5
60.88098	0.5
62.05164	0.5
71.32079	1.0
71.55468	0.5
73.02937	1.2
74.99045	0.6
85.02959	0.7
97.06573	1.7
120.99697	0.6
123.08149	1.8
125.09721	4.1
127.11320	0.6
135.04564	0.7
137.09747	0.6
139.11301	1.9
141.09180	0.7
141.12888	1.5
143.10805	0.8
145.36165	0.5
161.58371	0.5
171.10289	13.9
197.11879	0.7
200.10463	0.8
215.12946	0.9
228.13644	1.2
311.22235	0.7
323.22302	1.0
326.07635	0.5
341.23337	6.4
342.23709	0.9
353.23364	1.6
371.24396	100.0
372.24771	11.4
375.54211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.7
61.01556	0.9
71.01376	3.9
71.33208	1.7
85.02946	4.6
89.02441	2.6
90.38526	0.9
99.92595	3.0
101.02438	1.5
104.05068	29.1
108.02220	1.9
113.02445	1.3
115.92094	3.2
120.04568	3.2
122.06136	2.2
123.04488	1.0
134.03690	1.2
135.04510	4.4
148.04054	58.0
149.04417	2.8
150.03223	1.7
160.04028	1.7
161.02428	2.2
162.05667	1.3
166.05101	100.0
167.05402	4.6
176.03584	1.3
178.02711	8.2
179.03520	2.8
179.70761	0.9
180.06735	0.9
186.85748	0.8
191.05661	5.6
192.02811	1.0
193.05051	13.6
206.04597	10.7
209.03079	3.7
210.04088	79.2
211.04543	4.2
216.96094	1.1
216.98100	1.9
217.96729	1.9
222.04210	0.9
224.05655	25.5
225.05835	1.1
234.97174	1.0
234.99449	1.6
248.97173	2.5
249.27992	0.9
250.81245	0.9
252.05147	26.3
253.05469	1.0
261.95737	1.2
282.06335	2.3
312.07477	1.0
347.00699	0.9
372.09323	2.3
373.00217	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1298
Annotation	Prochlorperazine
Peak:m/z	Relative Intensity
57.03451	3.1
58.00604	5.3
59.01383	95.0
61.98840	8.1
67.01915	3.4
69.47450	11.7
71.01386	54.4
72.99308	24.0
73.02955	2.4
83.01398	4.5
85.02952	25.0
86.03284	3.0
87.00890	5.6
89.02450	68.4
90.02769	2.2
92.05069	2.5
93.03461	11.4
94.03844	4.0
101.02457	41.2
104.05058	2.4
109.02969	2.4
111.04536	2.6
113.02463	22.7
114.06930	1.7
119.03510	36.0
120.04549	3.8
122.03748	2.3
123.04536	4.3
128.03587	5.7
128.05066	25.7
130.06642	92.3
131.03589	2.5
131.07004	5.4
134.03793	4.6
134.77748	1.8
135.04553	9.1
136.04903	6.8
137.02473	2.9
143.03525	2.8
148.04080	13.7
149.06133	2.3
150.03252	3.4
150.06459	3.5
165.02042	2.5
166.05124	8.7
167.03490	2.6
167.07199	2.4
170.94138	1.9
172.04103	5.6
173.04620	6.4
173.67607	2.1
174.05013	3.9
178.02788	5.2
179.03508	3.6
179.05701	7.2
191.01999	3.5
191.05635	12.7
192.02914	4.4
192.06413	6.1
193.04959	9.4
196.03741	2.4
197.05792	4.7
198.05214	2.5
209.03043	11.7
210.03912	8.8
210.08430	3.2
211.06168	17.1
240.72441	2.1
252.05177	4.7
343.10239	4.9
358.42371	2.2
372.13229	100.0
373.11432	6.5
373.13632	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63632	6.8
61.08212	7.6
61.98853	8.8
69.44283	30.7
69.44685	11.3
80.78647	6.0
89.66123	7.4
100.88344	6.3
123.00814	8.0
134.89215	6.5
162.83945	7.0
171.10260	14.9
185.11838	9.5
327.08435	11.3
327.62314	7.5
327.66043	8.3
342.10611	11.2
372.24643	64.2
373.12848	17.1
373.25900	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	85.3
65.10891	37.5
66.76881	39.1
70.34496	36.7
70.60399	45.3
70.60712	65.7
71.01411	61.2
73.08514	42.9
85.02952	55.6
101.02482	43.1
106.83656	45.2
118.63862	34.9
130.08717	53.1
137.02493	42.4
151.00377	100.0
182.27586	37.2
199.84177	45.5
211.02559	51.7
218.74780	40.1
227.16550	82.1
241.12097	40.8
247.57881	37.1
329.13766	68.0
343.11710	46.7
373.13071	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18816	9.4
59.01387	25.2
68.71381	9.8
68.97368	10.4
69.01768	100.0
71.01374	18.5
79.71352	10.0
86.43055	11.2
101.02421	12.8
101.79839	9.7
114.07056	10.0
126.73296	9.6
128.51176	11.8
136.77106	11.9
280.58914	10.7
337.57385	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32854	14.3
55.96822	13.9
59.01380	83.5
69.23128	100.0
71.01376	46.1
101.02485	25.0
125.02425	16.8
128.03513	21.7
130.08745	56.4
151.00404	72.1
155.10896	21.7
161.06120	15.8
198.74124	15.0
211.02472	18.8
227.16519	80.0
372.17191	38.4
372.21555	25.7
373.08203	17.8
373.13052	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1142
Annotation	Swertiamarin
Peak:m/z	Relative Intensity
53.18882	1.3
59.01388	11.1
69.50542	5.7
71.01386	7.6
75.00870	1.8
75.91502	1.3
78.95888	1.9
83.01375	1.4
85.02949	2.6
86.20425	1.3
87.00856	2.4
89.02444	4.1
93.03492	2.6
97.75343	1.3
101.02445	3.3
108.02171	9.0
109.02994	2.7
112.06690	1.4
113.02449	3.4
115.15308	1.7
119.03465	1.8
120.84353	1.3
122.03794	3.5
123.00872	3.3
123.04534	7.4
124.01688	2.5
134.03748	4.0
137.02449	6.6
137.06044	1.7
138.03232	2.8
149.02370	1.6
149.06104	2.7
150.03221	15.9
153.01915	3.3
155.03561	1.3
165.01959	16.1
165.05612	2.5
165.35168	1.4
166.02724	89.9
167.03192	4.3
167.07097	1.3
173.04619	1.7
177.01999	1.7
178.02716	22.0
179.03435	2.2
181.05086	80.5
182.05411	5.9
193.05067	50.9
194.05405	3.1
195.03018	2.4
196.03780	20.8
197.04140	2.1
210.05292	1.7
211.06123	100.0
212.06467	3.4
214.96448	1.2
226.22705	1.4
261.74600	1.2
266.40060	1.2
267.04108	1.4
328.08078	2.6
343.10315	22.9
355.10275	6.2
373.06818	2.7
373.11389	44.5
374.11700	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1143
Annotation	Citrifoside
Peak:m/z	Relative Intensity
54.26307	0.7
59.01095	1.1
59.01384	22.1
61.98821	2.6
70.33481	2.4
70.34032	0.7
71.01386	12.1
71.04994	0.7
72.99290	0.9
83.01403	1.7
85.02946	3.5
89.02454	13.2
95.01381	1.8
101.02458	9.1
108.02183	9.0
111.00888	0.8
113.02472	5.0
118.41327	0.6
119.03512	6.3
122.03764	1.5
123.00887	4.3
123.04543	6.7
124.01673	2.5
133.02899	1.0
136.01703	0.8
137.06073	1.7
149.02463	2.1
149.06143	0.7
150.03230	11.0
165.05568	2.0
166.02734	1.9
166.94714	0.7
177.01929	2.5
178.02727	44.7
179.03127	2.5
181.05127	1.3
193.05066	100.0
194.05417	6.7
196.03777	0.7
196.76192	0.7
211.06160	3.3
224.53227	0.6
242.72246	0.7
286.93326	0.7
349.47327	0.8
373.11478	7.0
388.97119	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.114
Annotation	Swertiamarin
Peak:m/z	Relative Intensity
59.01391	14.4
61.98819	4.1
68.99799	2.0
70.66414	4.3
71.01386	10.1
72.68336	1.6
72.85138	1.5
73.02938	3.5
75.00884	1.9
80.66198	1.3
83.01427	1.5
85.02952	4.9
87.00893	2.5
89.02459	5.6
94.42777	1.4
98.32444	1.5
99.92593	2.4
101.02448	5.3
108.01490	2.6
108.02188	32.9
109.02963	12.8
113.02470	3.4
117.63126	1.6
122.03732	9.4
123.00906	7.4
123.04538	19.3
124.01644	5.5
132.02203	2.4
134.03731	2.2
136.01738	1.7
137.02464	5.9
137.06096	4.2
138.03294	1.7
148.01639	3.2
148.04012	2.8
149.02419	1.9
149.04393	2.8
149.06120	2.7
150.03236	40.3
153.05574	2.2
163.03955	1.8
164.01181	3.4
165.01942	43.6
165.05579	6.9
166.02727	18.3
166.04950	1.8
167.03465	5.2
167.05417	2.2
175.03995	1.6
177.01967	4.5
178.02719	36.4
179.03445	3.6
181.05077	34.5
182.05446	2.0
189.05591	1.8
193.05066	97.7
194.05402	4.9
195.03021	2.7
211.04359	1.8
211.06140	6.0
328.08023	6.7
343.10339	100.0
344.10541	9.1
355.10370	18.3
373.00342	2.8
373.11356	39.9
374.11829	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1139
Annotation	[2aR-(2aalpha,3beta,4alpha,7balpha)]-3-(beta-D-Gucopyranosyloxy)-2a,3,4,4a,5,7b-hexahydro-4a-hydroxy-4-methyl-1H-2,6-dioxacyclopent[cd]inden-1-one
Peak:m/z	Relative Intensity
59.01378	4.9
60.25171	0.6
61.98826	1.5
66.82165	0.7
71.01379	2.4
71.29825	1.0
72.99310	0.7
85.02952	1.1
89.02458	1.5
101.02451	2.0
109.02983	1.0
135.04485	0.9
137.02451	1.6
138.03212	2.2
139.03954	0.8
151.03993	1.2
159.80859	0.7
163.04031	0.7
165.01973	4.6
166.02722	92.2
166.10503	0.8
167.03082	5.1
178.02698	1.4
180.04286	1.3
181.05074	86.7
182.05469	3.3
191.03369	0.8
193.05060	2.1
195.03023	2.5
196.03777	20.1
197.04242	1.3
210.05380	1.6
211.06123	100.0
212.06494	6.2
277.03500	1.3
343.10571	2.1
358.08685	0.8
373.11392	37.9
374.11755	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
67.99195	1.2
68.87720	1.1
69.06675	12.4
70.30054	1.1
71.01393	5.8
73.02950	2.5
74.64330	1.3
83.76977	1.1
85.02941	1.9
89.02406	1.4
91.01904	4.0
93.03454	4.7
99.00826	1.3
101.02433	3.8
109.03008	1.3
113.02471	1.6
119.01358	1.7
121.02939	5.5
137.02467	4.6
137.99913	1.2
151.04016	53.1
152.04326	2.2
161.04543	2.9
220.36386	1.2
373.18811	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1296
Annotation	Annulin C
Peak:m/z	Relative Intensity
59.01389	4.3
68.46577	1.7
68.99808	2.0
71.01376	5.8
83.01341	1.9
95.01405	2.1
98.22574	3.0
101.02450	3.4
103.33904	2.0
108.02184	14.6
109.02959	13.4
111.00896	3.6
121.02975	3.6
122.03723	2.5
123.00898	15.5
123.04547	9.3
124.01658	7.1
132.02203	1.7
133.02968	4.0
134.03778	10.8
135.04456	2.3
136.01659	5.1
137.02431	2.8
145.02959	6.8
146.03770	14.7
147.04532	19.4
148.01656	4.6
149.02415	3.7
149.06061	5.2
149.62201	1.7
150.03194	6.4
151.04019	3.5
153.05553	2.1
159.04527	5.4
161.02478	9.5
161.04579	1.8
161.06081	4.0
162.03238	9.6
163.04025	10.2
164.04785	13.9
165.05544	4.6
173.02499	3.4
174.03314	4.0
175.03999	4.5
177.01932	7.3
177.05560	9.3
178.02634	6.8
179.07153	13.4
180.04216	1.6
188.04764	11.1
189.05487	4.2
192.04269	5.0
193.05067	12.5
194.02174	1.8
206.47641	1.7
207.06615	5.1
219.06717	2.2
225.05544	2.4
226.06320	4.5
254.05865	26.1
255.06519	7.1
267.06354	3.1
268.07339	3.0
269.08228	43.7
270.08954	13.8
281.08093	4.2
283.06097	2.4
283.09723	3.8
284.10489	8.2
285.11121	6.0
295.06195	5.5
297.07684	3.8
298.08475	23.9
299.09158	2.5
310.08487	6.1
313.10834	66.5
313.14508	3.2
314.11160	10.0
325.10812	5.3
328.09610	6.3
340.09595	3.0
343.11896	100.0
344.12259	10.7
358.10602	3.1
373.12912	42.8
374.13144	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.6
59.01374	9.7
69.25062	16.5
73.02943	7.1
85.03004	2.7
85.87679	2.8
86.01159	2.5
89.31571	2.5
89.40677	2.9
96.28390	2.9
101.02467	6.5
108.02175	6.3
109.02953	9.6
113.02367	3.6
121.02961	34.1
123.04539	7.7
130.36064	2.7
134.03790	4.6
135.04494	6.5
136.05232	2.9
137.09813	2.9
145.02921	6.3
146.03683	6.3
147.04547	22.0
148.05287	3.7
150.03214	4.3
152.96063	3.4
159.04517	9.9
160.05325	9.7
161.06042	7.9
162.06799	5.7
163.03867	3.0
164.04877	3.8
171.10257	5.0
175.07719	6.1
177.05658	4.6
179.07187	4.3
180.04272	5.4
195.52887	3.0
211.07668	4.1
225.05545	6.7
237.05589	4.9
239.07040	7.9
240.04305	5.5
241.05009	6.2
241.08769	3.4
250.38849	3.2
251.07065	5.3
253.04997	6.1
253.08643	7.8
254.05991	3.1
255.06627	11.0
264.07932	3.5
265.08548	5.0
267.06564	30.9
268.07281	16.1
269.08209	44.8
270.08447	4.2
276.35324	3.2
280.07272	15.4
281.08179	28.7
282.08670	4.8
283.09799	30.6
284.10455	21.0
295.09818	18.8
296.10388	7.6
299.12726	5.5
311.09213	20.3
311.12604	5.6
323.09091	5.1
325.07208	5.3
325.10828	4.7
328.09491	15.6
329.13940	37.1
330.14175	5.4
340.09521	47.0
341.09805	6.4
343.11865	100.0
344.12216	7.9
355.11877	83.0
356.12100	9.9
373.12793	11.5
373.25876	41.6
374.13080	3.6
374.26270	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.6
66.72762	0.5
69.10951	1.8
69.11378	3.2
69.90070	0.6
71.01380	2.1
72.99315	0.5
85.02972	1.2
89.02489	0.7
90.91293	0.6
101.02449	1.6
108.02206	1.8
113.02497	0.6
122.03822	0.6
136.01675	75.4
137.02034	2.7
147.04535	1.2
150.03197	2.4
151.04021	100.0
152.04358	4.2
159.04460	1.1
161.06091	13.4
162.06883	17.5
163.07281	0.8
164.04796	1.0
171.10257	1.2
175.07672	1.8
176.04826	0.9
176.18954	0.5
181.12433	0.6
191.07164	0.8
198.83127	0.6
244.25400	0.5
311.12869	1.3
329.14093	3.6
352.25977	0.7
373.12909	21.5
373.17410	1.4
373.21152	1.1
373.25943	17.2
374.13507	3.4
374.26218	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
57.03445	1.1
59.01382	8.1
69.12164	5.9
71.01392	12.2
73.02941	4.2
80.05064	2.0
83.01382	2.6
85.02958	6.8
89.02464	1.8
94.06639	3.1
99.00878	2.2
99.72038	0.6
101.02450	10.7
104.05061	9.7
107.03782	6.9
108.04569	11.1
113.02462	5.8
113.39516	0.7
120.04575	1.2
121.05340	1.0
122.06130	45.3
123.06498	1.8
124.07687	1.6
132.04565	82.1
133.04880	4.6
134.06126	4.6
135.98320	0.6
137.02415	0.7
139.02779	2.5
148.04068	6.4
149.04404	1.0
150.05630	2.0
152.07181	100.0
153.07536	5.8
159.03053	0.8
160.04057	2.2
161.04546	3.6
166.05168	1.1
166.10155	0.6
166.45915	0.6
176.03549	10.2
188.03548	2.0
190.05142	0.7
192.64684	0.7
208.06183	4.0
260.60217	0.7
269.12927	5.8
273.12439	6.4
274.12933	1.0
297.12433	31.6
298.12851	3.7
313.11896	4.0
341.11426	85.3
342.11707	10.9
373.14032	11.7
373.18408	1.1
373.22321	1.0
374.14383	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.0
57.03440	5.0
58.00587	2.0
59.01097	2.9
59.01381	50.1
71.01385	48.2
71.29005	1.7
72.99312	3.3
73.02947	17.6
79.22784	1.3
83.01404	12.4
85.02956	21.4
86.00087	3.8
87.00888	4.7
89.02447	14.4
92.70124	1.4
93.03495	2.2
95.01389	5.5
95.86441	1.5
97.02936	1.8
99.00874	6.3
101.02450	41.8
101.03124	2.3
105.33308	1.5
107.05045	1.5
109.02938	3.7
111.00883	3.0
113.02463	17.0
117.03462	1.6
119.03478	4.8
120.99665	6.6
123.04559	2.1
125.02467	3.9
128.16464	1.3
135.04538	8.8
137.02460	7.2
150.03256	2.3
151.04015	7.8
152.04755	1.8
159.02998	2.3
161.04570	3.8
163.03996	6.2
164.04807	2.4
165.05548	4.5
178.06363	2.0
179.03618	1.4
181.05075	30.5
196.07426	43.0
197.07950	3.6
200.36127	1.4
205.04904	1.6
209.08168	1.6
210.08745	1.4
211.09769	75.7
211.27693	1.3
212.10092	4.9
251.09366	2.9
343.11752	3.3
344.12292	1.7
358.12744	9.9
373.15063	100.0
374.15506	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1508
Annotation	8-Epideoxyloganin
Peak:m/z	Relative Intensity
50.84620	0.5
51.68308	0.3
59.01357	1.2
69.21628	1.3
69.22054	1.4
69.45049	0.3
78.36859	0.4
89.02441	0.3
93.97602	0.3
109.02905	0.4
125.02420	0.6
137.02452	17.7
138.03192	1.0
151.04015	8.5
151.05237	0.3
152.04636	0.5
167.03473	0.9
196.07414	87.9
197.07745	5.2
211.09769	100.0
212.10118	6.7
293.69238	0.3
331.58398	0.4
355.81131	0.4
373.11633	0.4
373.15222	3.6
391.13116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39211	0.5
69.00620	5.1
69.01024	0.7
73.56609	0.4
73.57022	0.5
74.51319	0.5
95.01398	0.7
123.00912	9.3
124.01674	96.6
125.02012	2.1
138.03246	6.7
139.04025	100.0
140.04370	4.0
153.05594	1.1
175.07619	0.7
189.05568	0.7
202.06427	0.8
203.07152	6.5
204.07863	1.3
215.95984	0.6
218.09464	3.8
219.10052	1.0
229.08690	0.6
241.08751	1.3
244.64204	0.5
254.09508	1.5
256.10971	0.9
267.06622	0.8
269.08185	1.3
269.43561	0.6
282.08978	1.3
283.09644	0.8
284.10391	1.2
297.11975	0.5
310.08286	1.2
311.09259	1.5
313.07114	1.3
327.08734	1.8
328.09415	5.0
343.11871	23.4
344.12247	2.5
358.14200	12.2
359.14661	1.2
373.16562	52.6
374.16980	6.2
374.24149	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1659
Annotation	Hexahydrocurcumin
Peak:m/z	Relative Intensity
68.37294	0.5
85.27242	0.5
89.41980	0.7
96.99335	0.6
102.32214	0.5
105.09665	0.5
109.02991	0.9
114.06605	0.5
118.96146	0.4
123.00915	1.3
124.01670	28.8
125.02498	6.1
137.02480	3.5
139.04019	25.0
152.04781	1.6
175.03996	0.6
175.07692	1.9
185.27852	0.5
187.03882	0.7
188.04724	1.5
189.05562	1.9
190.06102	0.5
191.07112	3.0
202.06329	3.1
203.07143	16.2
204.07732	2.2
205.08742	1.9
206.09406	1.6
213.09264	0.8
225.09271	0.6
226.06303	0.6
226.10060	0.7
227.03528	0.6
228.04204	0.6
228.07971	0.6
229.08836	0.5
239.10741	0.6
241.08701	4.6
242.09270	0.7
253.08643	0.6
254.09439	6.1
255.03175	0.6
255.10138	0.9
256.03815	0.7
256.11057	3.4
265.08691	1.0
267.06610	2.0
267.09671	0.8
269.08188	3.2
271.02438	1.7
272.03180	2.9
281.04813	0.7
281.08200	0.5
282.08939	4.7
283.09625	2.3
284.10532	3.9
285.07574	1.0
286.04858	0.6
287.05588	1.4
293.08267	1.0
295.06180	1.1
296.06735	0.7
301.07101	0.8
310.08417	4.6
311.09338	7.7
312.09698	0.9
313.07288	4.3
313.10873	0.7
325.10919	2.2
327.08783	7.9
327.12396	1.4
328.09512	16.0
329.09912	2.0
337.76532	0.5
343.11868	100.0
344.12210	11.4
358.14224	61.6
359.14594	6.5
373.16565	88.9
374.16888	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10286	1.7
61.98814	2.2
71.30338	3.2
73.90894	1.8
79.98001	1.8
95.75849	2.0
98.45771	1.8
109.02983	3.6
124.01676	93.9
137.02484	12.5
139.04028	100.0
140.04291	3.8
152.04790	4.2
163.04031	2.3
164.04800	2.4
167.07295	2.9
173.02647	2.1
173.06053	2.6
176.04646	2.1
179.07117	3.3
191.07115	4.9
215.95979	2.6
261.81778	2.0
345.17178	2.9
358.14352	2.9
373.16504	23.1
374.16995	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.187
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01875	2.1
58.00586	4.2
58.84289	1.2
59.01381	100.0
59.90346	1.2
60.47155	1.1
66.02898	1.1
69.14864	8.7
71.01386	53.2
72.99323	4.2
73.02946	2.8
78.59438	1.1
83.01397	4.5
85.02956	9.0
87.00906	2.6
89.02451	64.9
95.01414	4.3
101.02452	36.8
112.20271	1.2
113.02462	21.4
113.03185	2.0
117.77286	1.2
119.03514	34.9
120.03805	1.7
123.00958	1.4
131.03537	2.5
143.03523	1.8
147.04555	2.0
149.04575	2.4
161.04576	1.3
163.04008	2.3
179.05698	3.0
188.04744	1.3
193.12325	6.7
211.13422	2.5
257.17645	1.9
277.90506	1.2
298.08420	1.9
308.38144	1.2
313.10822	7.7
343.12015	2.7
355.24902	1.8
373.13129	7.0
373.18704	31.5
373.25964	16.5
374.13870	1.3
374.19058	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03043	0.8
59.01139	0.8
59.01384	11.8
69.01956	2.2
69.02369	3.7
81.05011	0.6
93.03447	1.9
123.42033	0.7
127.11323	0.8
148.08922	1.2
151.11234	0.9
154.00644	0.8
163.11320	0.8
165.12859	20.5
166.13194	2.1
217.16083	0.8
244.10864	4.6
247.20660	10.5
273.18625	5.7
274.18796	1.0
291.19678	100.0
292.16800	0.9
292.19989	11.8
313.17889	9.6
329.13062	1.1
373.16077	0.7
373.20044	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2598
Annotation	oscr#24
Peak:m/z	Relative Intensity
54.85463	0.2
57.03451	2.1
59.01395	1.3
62.74863	0.2
69.05540	0.6
69.05949	2.1
71.01398	0.6
71.05016	0.3
73.02939	0.9
85.02954	0.3
87.04523	0.4
88.07046	0.2
97.06593	1.1
97.07203	0.3
101.02428	0.3
111.08144	0.4
119.03558	0.3
121.06603	0.2
123.08157	1.5
125.09729	2.5
127.11297	1.4
129.69984	0.2
133.02980	0.4
137.09715	1.0
139.11263	0.3
141.09248	0.4
143.10823	0.5
153.09175	0.4
153.12842	0.4
155.10770	1.0
169.12343	2.2
171.10280	8.3
185.11850	2.9
186.12112	0.3
197.11880	1.3
199.13396	0.3
200.00917	0.7
201.11371	0.8
214.12199	0.4
215.12880	0.8
229.14476	0.5
230.15216	0.6
261.60461	0.3
281.92947	0.2
288.00089	0.3
313.23697	0.5
323.22321	0.3
325.23978	0.8
327.22174	0.4
337.23941	0.3
343.24857	5.1
344.25391	0.3
355.24850	2.4
371.24356	1.3
373.25964	100.0
374.26294	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49308	0.2
57.03461	2.2
59.01377	1.5
69.03446	0.3
69.22579	0.7
69.22997	1.2
71.01380	1.0
71.05015	0.3
73.02940	0.9
83.01369	0.4
83.05009	0.2
85.02953	0.6
87.04536	0.3
89.02444	0.8
96.96027	0.3
97.06598	0.8
101.02463	0.8
109.49358	0.2
111.08158	0.7
113.02473	0.5
113.09740	0.4
117.47043	0.2
120.99673	0.5
123.08175	1.1
125.02441	0.9
125.09727	2.8
127.11343	1.8
133.02985	0.4
137.09703	1.6
138.40617	0.3
139.07666	0.5
139.11267	0.2
141.09189	0.5
141.12862	0.3
153.09189	0.6
153.12845	0.5
155.10779	2.2
157.08733	0.7
161.50436	0.2
163.04089	0.2
165.12909	0.2
169.12340	0.3
170.10318	0.2
171.10269	7.8
172.10628	0.3
183.13754	0.2
185.11827	0.9
200.00995	0.5
201.14949	0.6
211.13452	0.3
217.14433	0.3
229.14381	0.4
230.15204	0.7
248.00229	0.6
257.17673	0.2
271.19217	0.3
285.20758	2.5
311.22409	0.5
313.23846	0.9
325.23859	3.1
326.24112	0.5
327.21680	0.5
337.24066	0.3
343.24765	1.2
354.23526	0.3
355.24896	2.3
356.02216	0.5
371.24286	1.1
373.25958	100.0
374.06137	0.4
374.26306	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07662	0.7
57.03439	2.2
59.01372	3.0
71.01384	1.0
71.05032	0.9
71.38216	1.0
71.52080	0.6
73.02932	1.8
76.00491	0.7
81.83144	0.6
85.02950	1.0
87.04527	1.0
95.05025	1.4
96.96018	2.1
97.06601	10.4
113.09713	0.7
115.07701	0.9
133.03017	0.9
137.09663	0.8
139.07613	1.1
139.11270	1.9
155.10753	2.3
157.08696	2.7
169.12306	0.8
185.11790	4.5
200.00902	1.8
211.13356	0.9
217.78624	0.6
218.23225	0.6
237.13084	2.0
237.15112	1.1
239.16588	0.7
252.10922	0.9
253.16284	2.6
257.17590	21.0
258.17819	1.3
268.19708	0.7
271.19153	1.0
285.18906	34.5
286.19351	5.0
313.23898	0.9
325.23831	2.1
326.23874	0.6
329.26654	0.7
343.24921	7.5
344.25192	0.6
355.24869	2.9
373.20627	13.7
373.25894	100.0
374.21017	2.3
374.26312	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2599
Annotation	oscr#24
Peak:m/z	Relative Intensity
50.51141	0.5
51.03218	0.4
57.03448	1.4
59.01377	1.0
67.67091	0.4
69.02591	2.0
69.03016	1.8
69.03462	0.7
73.02939	0.6
97.06569	0.6
106.22660	0.5
108.02168	1.0
111.08160	0.8
123.04523	0.7
123.08118	0.7
125.09727	2.9
127.11296	1.9
137.09749	2.1
153.09195	0.5
155.10765	2.6
164.04759	2.1
167.06175	0.4
169.12326	1.8
171.10283	9.6
178.02766	0.7
179.07147	2.7
180.04323	0.6
185.11789	0.9
193.05046	1.2
195.06544	0.6
197.11914	0.7
199.98714	0.6
201.11295	0.5
201.14854	0.6
230.15155	1.0
313.23633	0.7
327.21783	0.6
343.24875	2.1
355.25040	2.4
358.10385	0.5
371.24561	1.0
373.25961	100.0
374.26306	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64641	0.7
57.03444	2.4
59.01377	1.2
71.30871	1.0
71.31245	0.7
73.02932	1.0
73.76874	0.6
88.61612	0.6
89.56039	0.6
92.12408	0.6
93.62732	0.6
108.02204	0.8
123.00881	2.2
123.08170	1.0
124.01653	1.4
125.09724	2.1
127.11304	2.4
135.04526	1.2
137.09706	2.5
141.09140	0.7
146.97517	0.7
153.09323	0.6
153.12735	0.6
155.10757	1.7
162.03220	2.1
163.04030	1.0
164.91295	0.6
171.10295	9.7
177.05582	1.3
199.98813	0.9
215.96004	1.4
230.15186	1.1
355.24988	1.8
371.24402	0.8
373.13300	3.7
373.25970	100.0
374.13553	0.8
374.26309	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52292	2.4
59.01385	12.5
59.56572	2.0
69.07051	19.9
71.01373	2.4
71.31084	1.9
72.73763	2.0
76.83826	2.2
101.02432	2.8
109.02950	2.6
123.04498	3.1
151.03876	2.8
161.04507	2.6
173.05643	2.7
181.05055	6.0
188.08069	2.8
193.05101	3.6
196.68765	2.0
200.04306	3.2
216.03940	4.5
217.00269	7.2
217.04672	3.3
227.03185	2.9
227.06723	4.4
229.04665	5.1
230.01933	2.9
242.05423	3.6
243.02879	3.4
243.09973	3.1
244.03409	6.3
244.07002	3.7
244.10567	9.6
245.04056	2.9
255.06363	3.5
257.00864	4.3
257.04199	2.9
258.01431	15.8
258.04251	2.5
259.01978	8.5
259.12851	2.5
260.06436	2.5
270.08539	5.1
272.03198	11.8
272.06046	2.0
272.10040	4.0
273.03702	22.4
273.06888	3.6
274.04269	6.6
282.05511	2.7
283.05862	3.8
286.04535	2.4
287.05573	11.8
288.06036	36.7
288.09500	6.8
289.06552	9.7
298.07922	7.0
299.08682	2.7
300.05981	3.5
300.09506	6.2
301.06848	4.3
302.07538	2.9
306.71320	2.3
311.05276	3.3
315.08704	3.4
315.11969	4.6
316.09088	15.3
326.07571	7.4
331.11420	9.8
331.36124	2.5
341.10016	5.9
344.08423	9.7
345.13696	3.0
346.13669	16.1
356.12335	10.7
358.10236	5.3
359.10913	16.8
359.82715	2.9
374.13239	100.0
374.26343	18.2
375.13873	13.0
375.27075	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44001	23.7
54.20212	16.4
56.45327	18.7
59.01368	45.7
67.08276	18.3
69.44932	100.0
71.01358	51.1
73.02961	24.8
76.96773	18.2
78.00833	21.1
82.61339	18.2
89.02444	36.8
101.02486	30.1
113.02437	26.6
161.04536	30.9
201.83376	21.6
217.00151	27.1
235.51520	20.7
238.29984	27.5
330.34030	19.7
331.17664	56.6
341.64020	21.3
344.11774	22.1
375.27423	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	24.3
62.54932	7.9
69.35137	58.7
71.01360	12.1
81.01352	9.7
84.79829	8.9
89.64956	8.3
101.02473	13.9
121.04937	7.9
197.84293	10.7
213.11316	15.3
242.05528	12.8
288.32043	11.2
291.66013	10.4
375.16815	100.0
395.83783	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12927	10.1
59.01373	44.2
63.27873	10.6
69.26498	88.8
85.55809	9.2
121.02982	30.5
122.03781	49.7
146.03711	18.1
149.02449	66.0
150.03198	41.3
150.26965	9.5
150.56317	8.7
161.06120	16.0
164.04790	38.0
165.05563	42.1
177.79836	9.7
179.07158	100.0
180.04164	14.4
191.07170	24.2
195.06647	49.8
207.06642	16.9
211.13515	12.5
217.00296	13.1
312.10092	21.9
327.12155	59.1
375.14313	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54584	20.0
59.01368	36.6
64.69906	21.7
69.59682	42.2
69.60092	65.5
71.01364	38.3
82.12579	18.0
95.71619	19.1
98.21877	42.9
161.04610	37.0
192.83658	23.1
220.22072	18.1
235.94737	18.1
267.97113	19.7
331.17511	36.4
345.78830	21.0
375.24060	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62690	3.2
59.01386	19.0
65.09428	3.6
68.99825	11.2
70.74829	3.5
71.01386	14.3
89.02470	11.5
101.02446	4.9
108.02191	39.4
109.02954	10.2
109.09157	3.8
113.02473	5.2
119.03529	7.3
121.02971	12.6
122.03757	7.2
123.00875	15.2
123.04556	34.1
132.02200	6.0
138.03246	29.3
148.01706	5.0
149.02438	6.9
150.03264	22.1
151.11311	15.6
161.02469	11.7
162.03238	21.3
163.04031	14.3
164.01233	5.2
165.01967	5.7
165.05498	3.9
166.06371	25.1
177.05539	34.1
178.02722	48.3
179.03539	8.4
181.08751	14.8
193.05066	71.7
195.10219	20.2
212.13719	4.5
217.00331	4.5
219.74031	3.8
221.08231	4.5
283.15942	3.5
345.13553	21.9
366.34760	3.8
374.13599	3.7
374.18915	8.6
375.09900	6.3
375.14496	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	14.7
69.00871	100.0
71.01380	12.1
83.01296	8.8
89.02498	9.8
98.21815	21.9
99.21606	8.5
101.02455	11.0
115.42104	9.0
160.10590	8.9
266.90973	9.9
377.77359	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	88.1
71.01369	88.7
101.02434	74.8
108.45583	36.5
140.70718	38.5
170.03120	35.6
180.75078	44.5
230.04289	67.6
310.96060	39.6
375.23825	100.0
379.53238	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36212	11.6
59.01378	100.0
68.48204	11.1
69.26215	26.9
69.26631	76.7
71.01381	65.1
73.02956	15.2
80.74780	14.8
85.02964	25.2
87.63819	11.8
89.02444	39.4
96.96010	20.0
101.02448	44.1
102.05612	15.6
108.02159	19.3
113.02469	20.6
119.03523	26.4
123.04539	17.4
146.04582	39.2
173.04489	18.5
179.07021	11.6
206.87604	11.6
279.08307	11.5
311.08673	17.2
326.11102	19.1
375.16400	45.5
375.20511	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44924	37.1
70.40699	29.1
86.02133	31.2
98.21751	100.0
101.42228	37.5
109.39686	30.3
149.65334	37.7
162.55830	34.8
177.05609	38.8
193.04984	37.5
194.56760	32.6
375.14783	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48721	8.3
52.84255	7.8
59.01382	100.0
61.98827	36.1
68.23549	9.5
71.01396	58.5
71.29924	15.7
82.14402	8.2
83.01386	10.1
85.02948	17.6
87.00906	21.9
89.02460	34.6
96.96011	12.1
98.03377	8.3
99.92577	10.1
101.02476	28.3
107.08736	11.3
113.02460	21.8
115.54845	10.9
116.92876	25.6
117.96104	8.8
119.05013	21.3
123.25539	9.4
134.03690	16.3
135.04536	46.0
145.02983	10.7
146.04601	17.5
149.02448	10.2
149.06075	24.3
151.07704	35.5
161.02477	31.9
161.04506	9.9
169.08716	28.0
177.02112	11.0
179.03551	31.3
191.05646	12.1
201.01630	18.5
210.97096	12.0
213.07739	25.2
219.02951	10.0
228.98155	10.6
233.04556	12.5
237.03845	12.8
238.04425	9.3
337.05463	13.3
374.14218	9.3
375.07083	94.7
375.16537	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55319	0.4
53.60512	0.4
59.01393	2.5
70.07838	1.2
88.22760	0.4
92.00662	0.4
97.02840	0.4
97.39252	0.3
98.22437	0.5
100.13615	0.4
101.06100	1.1
115.14684	0.4
116.23400	0.4
124.07685	0.6
174.99240	0.8
178.21008	0.4
189.10458	0.5
199.98653	0.6
215.95995	0.7
217.00249	3.5
232.10925	10.6
233.11238	0.8
289.17990	1.3
290.18784	2.7
316.16614	1.4
318.18369	0.6
331.15210	0.5
358.21371	1.1
374.24493	100.0
375.24817	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02153	0.6
59.01380	1.4
65.35513	0.6
69.62189	2.9
81.03457	0.7
85.02968	0.7
87.00864	2.2
92.19784	0.5
93.03452	1.9
98.21790	0.6
99.84877	0.5
111.04527	1.1
121.02962	1.6
127.04012	1.5
129.85263	0.5
133.02960	2.7
134.03758	30.3
135.04550	40.3
136.04877	2.2
136.98553	1.4
137.02448	1.7
138.15114	0.6
149.02484	1.1
154.71835	0.5
155.03557	1.4
161.02437	6.5
173.04552	2.2
179.03510	31.0
180.03943	1.1
183.00597	0.9
189.01698	23.4
190.02086	0.7
191.05595	1.5
201.01715	64.5
202.02057	2.4
215.03252	1.8
243.02747	0.6
261.31726	0.5
291.98019	0.6
314.67831	0.7
375.06992	100.0
376.07321	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.2
57.01859	1.4
59.01382	100.0
62.66724	1.5
67.57640	1.6
69.34928	9.1
71.01387	13.1
73.02936	3.4
73.25279	1.7
74.39988	1.4
85.02960	4.0
87.00878	2.2
89.86961	1.5
93.03455	2.3
95.01403	1.6
98.21815	2.8
101.02453	6.6
113.02452	5.0
119.05029	2.8
119.99559	1.4
123.00904	8.0
125.02442	2.3
133.02977	3.7
134.03740	6.9
135.04518	24.3
137.02441	2.8
138.03241	14.3
145.02934	1.7
153.05530	9.0
159.03064	2.7
161.02460	11.8
161.04579	12.1
172.53551	1.3
174.14072	1.5
179.03496	13.8
189.01740	4.3
195.06499	1.6
200.99709	3.3
201.01724	11.0
217.00328	4.5
375.06982	35.5
376.07285	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58361	2.9
58.00583	5.3
59.01382	46.2
70.81807	6.1
71.01387	38.3
73.46991	3.2
85.02964	7.8
87.00890	9.7
89.02446	41.7
96.96960	3.8
98.22260	4.8
101.02464	15.3
105.00129	3.2
105.46664	2.5
113.02468	16.9
117.03475	6.3
119.03519	15.8
119.05029	8.6
120.94351	3.5
121.03016	3.5
122.03741	3.6
134.03674	4.4
135.04501	5.6
145.02979	18.9
147.04491	3.3
149.02466	33.9
150.03239	56.8
161.01268	4.0
161.02434	21.2
161.04463	5.4
162.03223	25.3
163.03995	6.0
164.04839	17.0
165.04172	5.3
165.05579	100.0
166.05907	4.8
177.05544	16.4
180.04257	13.5
189.01833	3.7
195.06641	33.1
200.99687	6.1
327.10785	6.1
375.04980	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.3
69.67497	7.6
71.01384	6.3
72.99342	1.5
83.01414	2.0
83.12214	1.4
85.02961	3.7
87.00903	5.4
93.03485	2.4
98.21780	1.4
101.02444	3.2
102.66582	1.6
109.02994	2.3
119.05037	5.5
121.02993	4.6
133.02957	6.7
134.03734	8.1
135.04541	21.8
137.02454	24.3
138.03252	3.2
145.03000	2.7
147.88451	1.4
149.02449	38.6
150.03249	51.5
157.05096	1.7
161.02458	15.0
161.04599	4.0
162.03252	2.5
163.03999	4.7
164.04803	18.1
165.05582	100.0
166.05948	4.7
173.04530	2.7
175.02548	3.0
177.05576	2.6
178.02600	1.9
179.03516	15.3
180.04297	61.1
181.04669	3.8
189.01709	3.3
191.05626	3.4
195.06631	56.7
196.06996	3.9
200.99649	6.7
201.01730	12.2
208.49741	1.6
213.07716	24.2
214.66277	1.4
219.01559	5.0
287.46371	1.4
327.11136	1.7
375.07178	37.2
375.13104	4.9
376.07144	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1451
Annotation	Tanegool
Peak:m/z	Relative Intensity
52.63623	1.5
54.93121	1.9
58.76395	1.6
59.01382	11.2
65.06049	1.6
71.01372	5.5
71.29517	2.4
71.29877	2.5
73.02943	5.0
83.01416	1.8
85.02949	3.9
88.03629	1.6
89.02443	3.0
93.03507	1.9
96.65383	1.6
101.02464	3.0
102.02732	1.9
108.02184	20.2
109.02963	39.6
119.05014	2.3
121.02954	4.3
123.00925	3.7
123.04541	14.0
124.01617	2.9
125.02431	2.1
134.27444	1.7
135.04486	3.1
136.01668	13.0
137.02414	4.9
145.02945	4.0
145.08777	2.4
146.03732	3.6
147.04523	1.7
149.02399	4.4
151.04016	16.7
151.05157	2.5
159.04497	5.2
160.05281	1.8
161.06065	2.9
163.03995	3.8
164.04805	3.9
168.44316	1.7
171.04565	2.7
172.05269	2.9
175.04012	9.1
176.04739	6.1
177.05510	4.9
179.07146	2.6
187.03996	2.8
188.04749	5.2
188.41200	2.0
189.05560	20.9
190.06332	5.1
191.07147	3.8
193.05113	1.9
196.03816	2.1
203.07117	11.9
206.05760	2.2
211.07524	2.4
212.04758	1.7
213.05571	3.4
214.06404	2.2
221.08194	2.1
225.05508	3.1
239.07118	7.6
240.04271	3.7
241.05067	16.0
242.05716	6.8
250.06267	4.0
251.07013	2.6
251.09294	2.9
255.06552	5.2
256.07376	12.1
257.08255	15.9
261.05560	1.8
266.05814	2.7
267.06671	40.9
268.07068	4.4
269.08185	1.8
277.87585	1.6
278.05850	3.3
279.06689	8.7
280.07425	1.9
281.08258	1.8
282.08978	39.4
283.09424	5.8
283.99942	2.0
285.07596	2.6
293.08203	4.8
294.08994	4.0
297.07712	14.3
297.11255	81.7
298.08389	1.8
298.11652	7.6
311.09232	6.7
312.09991	11.9
315.08777	3.2
315.12259	2.5
327.12418	44.6
328.12692	5.7
345.09662	6.5
345.13486	9.7
357.13232	3.6
359.11481	2.4
360.12167	23.9
361.12280	3.4
375.14465	100.0
376.14871	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13239	1.2
55.30046	1.3
59.01373	2.4
68.99827	18.9
70.00128	1.5
71.01371	1.8
80.02669	2.0
81.03418	1.9
83.84248	1.2
93.03439	2.1
107.01413	2.0
108.02180	52.2
109.02977	10.6
111.00868	2.2
117.03500	6.5
120.02238	1.7
121.02970	15.5
122.03771	9.0
123.00907	19.4
123.04540	48.3
124.04898	1.7
125.02470	1.6
132.02209	8.5
133.02946	5.0
134.03719	1.3
135.04485	3.1
136.01656	9.4
137.02451	1.6
138.02260	2.3
138.03246	36.0
145.02945	2.1
147.04535	7.3
148.01642	3.5
148.05322	2.7
149.02452	4.7
150.03238	31.5
151.04002	7.5
153.05609	2.4
161.02467	18.3
162.03235	36.4
163.04044	16.7
164.01147	3.9
164.04710	1.8
165.01933	4.8
165.05493	4.3
166.06357	35.2
167.06644	1.2
174.03168	1.3
176.04755	1.8
177.05568	60.8
178.02730	63.0
178.05949	3.1
179.03516	19.6
180.04245	2.3
181.08751	16.5
191.07161	9.7
193.05066	94.7
194.05684	10.3
221.08243	3.5
233.08282	1.9
233.17004	1.3
267.06644	5.2
268.07407	1.6
282.08969	5.6
297.11234	10.7
315.12354	1.8
327.12363	5.8
345.13440	26.6
346.13831	2.1
375.14496	100.0
376.14951	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49892	1.2
57.98843	1.1
59.01381	3.8
60.36852	1.1
71.40645	1.8
71.67888	1.5
73.02973	1.7
78.61569	1.4
95.85876	1.2
108.02173	1.7
109.02965	3.1
121.02980	13.6
122.03758	46.8
122.82929	1.2
124.01690	4.6
135.04509	3.4
136.01669	5.7
137.02492	10.3
146.03758	22.5
147.04491	3.9
149.02460	18.0
150.03236	9.1
151.04033	1.5
154.02759	8.8
161.06117	9.7
163.04001	2.4
163.11960	1.3
164.04802	18.0
165.05586	14.7
175.04036	3.1
176.04842	7.6
179.07150	100.0
180.04338	7.5
180.07463	5.6
191.07152	27.1
191.08853	2.3
192.04314	4.2
195.06631	37.8
196.07034	2.0
207.06618	12.8
211.26509	1.3
222.66750	1.6
268.07419	1.4
283.10065	2.0
300.55905	1.3
312.10089	4.7
321.98981	1.3
327.12390	19.5
328.12573	1.8
345.13617	2.2
357.13571	2.2
360.12177	11.6
369.30325	1.3
375.14493	30.1
376.14816	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1452
Annotation	threo-Guaiacylglycerol beta-coniferyl ether
Peak:m/z	Relative Intensity
59.01369	1.8
62.62597	1.1
67.01878	1.6
68.99825	17.1
72.34180	1.0
80.02692	1.4
93.03459	1.8
98.22549	2.5
105.03460	1.7
107.01389	1.9
108.02185	49.8
109.03016	11.2
111.00896	1.4
117.03456	3.1
118.03674	1.1
121.02976	14.1
122.03767	8.1
123.00900	19.7
123.04545	42.4
124.04900	1.4
132.02182	9.3
133.03024	6.5
134.03746	1.3
134.79681	1.1
135.04573	2.9
138.03246	29.6
139.03526	2.4
147.04527	3.0
148.01662	4.6
149.02408	4.1
150.03238	32.7
151.03761	1.6
153.05569	3.8
160.01622	2.0
161.02435	16.9
162.03236	36.1
163.04036	16.7
164.01170	2.4
164.04814	1.4
165.01912	5.2
165.05536	4.4
166.06371	35.2
177.05586	52.7
178.02727	52.8
178.05945	2.8
179.03500	14.3
180.04185	1.6
181.08717	14.8
186.91669	1.4
193.05070	91.7
194.05603	8.8
206.45306	1.2
221.08124	5.7
233.08160	2.4
251.09222	2.0
282.16345	1.2
330.11124	1.6
345.13464	21.8
346.13803	3.8
375.14511	100.0
375.27704	3.8
376.14880	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84647	1.1
59.01091	2.2
59.01382	42.6
73.02946	12.1
77.92813	1.0
87.11148	1.1
98.21826	3.0
108.02195	3.7
119.05037	2.8
121.02975	8.4
123.04526	7.2
124.01672	2.1
133.34090	1.1
135.04527	24.3
136.05356	7.3
141.30902	1.0
146.51927	1.1
150.03236	2.3
151.04013	4.4
151.07649	7.1
165.05580	6.7
177.05650	1.1
178.99355	1.1
194.05856	11.5
195.06636	100.0
196.06992	5.3
209.08202	70.7
210.08556	3.6
217.00288	3.5
282.44244	1.2
375.14517	12.5
375.26968	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.9
62.93193	0.6
69.72682	2.1
85.02976	0.6
92.84521	0.6
93.23476	0.7
96.96033	0.9
108.02217	1.0
121.02977	6.3
122.03748	0.9
123.04539	4.8
134.03745	0.8
135.04546	24.0
136.05338	7.3
137.06058	2.7
149.02458	44.2
149.06029	1.1
150.03244	17.1
151.03824	1.2
151.07648	1.3
164.04810	100.0
165.05583	57.7
166.05923	2.5
174.99159	1.0
177.05325	0.7
179.07147	46.8
180.07521	4.0
185.92618	0.6
194.05827	1.3
195.06619	21.8
196.06917	1.1
217.00391	1.3
226.47234	0.7
375.14526	9.9
375.27634	3.1
376.14911	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96565	0.5
59.01380	9.1
69.05254	4.1
71.56489	0.6
85.13298	0.5
90.18015	0.5
98.21875	1.1
107.05020	0.7
119.05027	1.7
119.68083	0.4
121.02967	6.1
121.48776	0.5
123.04523	2.2
124.01694	1.0
133.93106	0.5
134.03734	1.0
135.04538	22.0
136.05313	9.4
137.02420	0.7
137.06087	1.1
149.02449	43.2
150.03259	8.4
151.03951	1.3
151.07635	0.7
164.04802	100.0
165.05577	24.4
166.05945	1.4
174.99232	1.0
179.07147	55.3
180.07487	3.0
194.05838	0.6
195.06633	26.3
195.68405	0.6
196.06944	1.8
217.00288	3.1
244.78636	0.6
246.53969	0.5
257.58667	0.6
348.74872	0.6
375.14484	6.2
375.27493	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26315	0.8
59.01372	3.0
75.00883	1.5
79.06009	0.9
89.35497	0.9
92.30963	0.9
108.02180	31.5
109.02955	2.7
121.02965	5.9
122.03763	2.0
123.04530	21.9
132.81425	0.9
134.03755	3.5
135.04507	3.8
137.06122	1.7
147.04512	1.5
151.04070	1.9
161.02522	1.3
165.23198	0.9
174.03230	2.9
175.04036	5.9
176.04788	59.9
177.05156	4.9
179.03510	2.0
179.07156	4.5
189.05565	1.2
191.07150	100.0
192.07483	6.3
209.08185	11.5
217.00272	1.5
220.62016	1.0
221.08223	2.4
233.08130	1.3
282.37381	1.1
315.12683	1.1
340.95029	0.9
345.13406	8.3
352.35760	0.8
375.06778	1.1
375.14706	1.8
376.04980	2.4
398.87628	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14288	1.6
55.01866	5.4
57.03441	6.2
58.00599	3.4
59.01382	88.2
69.22890	12.8
69.23202	3.5
71.01385	59.6
72.99312	4.5
73.02946	12.0
75.00858	1.8
83.01385	11.3
85.02953	23.7
86.00112	1.5
86.68710	1.4
87.00891	6.8
87.56468	1.5
89.02454	44.4
95.01392	4.8
96.41587	1.5
99.00887	5.7
101.02453	55.7
111.00914	1.8
113.02461	22.7
119.03515	24.0
123.04519	1.9
125.02467	2.8
143.03487	2.9
149.06091	3.1
156.09457	1.4
158.78271	1.5
161.02412	3.8
161.04575	5.5
169.12305	2.4
175.02385	2.6
177.01874	2.3
177.09227	8.2
179.05702	7.8
179.06982	1.7
195.10286	2.3
198.06801	2.3
212.08278	16.1
213.08853	1.6
213.11282	3.5
233.04643	1.6
241.07422	8.1
255.08891	62.1
256.09238	5.7
277.03427	2.4
331.17581	3.0
337.05685	5.7
339.06619	1.8
357.15613	33.1
358.15921	3.5
375.16656	100.0
376.16934	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86949	1.8
55.01884	4.3
57.03452	2.8
58.00588	4.1
59.01383	100.0
71.01389	64.2
72.99305	5.5
73.02953	10.4
83.01402	7.0
85.02955	19.3
87.00877	2.7
89.02454	59.6
95.01408	4.3
97.06627	1.8
99.00889	3.0
99.76542	2.0
101.02449	41.4
105.27279	2.1
108.02189	8.7
109.02957	4.9
113.02451	27.4
119.03503	24.2
121.06428	2.0
122.35960	2.0
123.04530	7.2
125.02387	2.3
134.69156	2.0
143.03497	2.9
149.04652	2.0
161.04630	3.7
171.10260	1.9
177.09175	2.4
179.05656	4.1
188.04810	3.8
189.05588	7.3
203.07188	3.9
213.05606	3.1
213.11380	5.8
215.56090	2.0
221.08057	3.0
225.05589	2.1
241.05081	8.2
256.07394	6.2
257.08209	7.1
267.06506	2.8
271.10028	2.2
279.06534	1.9
280.16525	1.9
282.08786	2.6
297.07840	3.8
299.10516	3.3
304.08319	2.1
311.09326	2.6
312.10022	2.5
327.12317	3.1
345.09607	2.6
357.15601	3.6
360.12186	8.5
375.16983	64.6
375.21429	4.4
376.16934	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61715	1.1
53.88111	1.2
53.98926	1.1
55.01865	2.0
57.03435	3.2
58.00590	1.7
58.78158	1.1
59.01091	2.1
59.01381	36.3
60.50304	1.0
61.12964	1.1
69.03447	2.1
69.04881	12.6
71.01384	29.3
72.99292	1.6
73.02953	4.1
74.99113	1.5
83.01376	1.6
85.02949	8.3
87.00896	2.5
89.02445	18.6
95.01379	2.7
95.05036	6.8
97.06605	3.3
98.03745	6.9
101.02443	13.3
107.05029	8.8
113.02443	10.1
115.13480	1.0
116.53664	1.2
119.03525	6.7
136.99174	2.8
149.09743	3.8
150.81912	1.3
151.11296	87.9
152.11670	4.0
161.04521	2.3
169.12349	15.3
172.84082	1.0
193.05029	1.7
195.10271	100.0
196.10617	5.9
209.04601	1.3
213.11292	1.4
322.05328	1.2
357.26395	2.5
369.22827	1.1
374.26361	1.1
375.14420	3.2
375.18600	3.5
375.27463	41.1
375.32349	1.9
376.27817	4.8
388.15967	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1813
Annotation	Sauriol B
Peak:m/z	Relative Intensity
59.74097	0.7
68.86646	0.7
70.34531	1.6
70.34895	1.2
74.63227	0.6
80.57265	0.7
109.02961	36.7
110.03321	1.2
123.04513	1.3
124.01667	6.1
125.02459	29.4
137.02458	86.0
138.03285	13.8
139.04042	11.6
140.01273	0.8
151.04016	6.5
152.04810	7.8
153.05560	2.9
163.07666	1.2
164.04816	5.4
165.05588	20.8
166.06094	0.8
167.07220	0.8
170.02234	1.8
170.81003	0.7
174.12747	0.7
175.07622	0.7
179.07167	8.6
184.03789	2.7
191.07137	0.9
192.07932	1.7
193.08691	2.0
205.08694	4.5
205.12480	0.7
207.10344	1.3
220.14720	1.6
221.15460	3.5
230.09450	1.7
236.10555	4.3
268.55786	0.8
290.36563	0.7
293.17599	0.9
330.11148	4.3
330.14566	1.3
335.93762	0.7
343.15637	1.1
345.13467	8.2
359.15131	1.8
360.11191	1.7
360.15802	50.5
361.16086	5.8
375.18143	100.0
376.18469	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1815
Annotation	Glaucogenin A
Peak:m/z	Relative Intensity
57.09993	0.8
58.98920	0.9
59.01374	3.3
61.49684	0.8
63.96218	1.1
66.39543	0.8
67.01889	0.9
68.69816	1.0
69.13984	6.5
69.14396	2.1
79.95734	1.4
80.22274	0.8
87.61228	0.7
95.01396	3.2
97.02950	2.3
109.02960	2.1
121.02958	2.8
122.03742	2.5
123.00866	3.2
123.04514	2.9
124.01692	7.8
125.02458	19.1
135.04544	1.0
137.02461	2.8
139.03996	1.2
142.59668	0.8
148.05234	1.3
149.06085	10.4
150.72118	0.9
151.00377	2.8
152.01163	71.1
153.01952	7.7
153.05624	1.8
163.04005	1.3
163.07681	2.6
164.04796	3.9
166.02687	7.6
167.03513	21.9
179.07158	3.7
181.05090	11.2
191.07277	1.8
205.39244	0.9
207.10260	1.2
217.00317	3.3
220.07565	1.0
243.50258	0.8
246.32394	0.9
258.12656	1.2
317.13989	2.3
327.12506	1.1
345.13431	26.0
346.13788	4.0
357.17184	3.3
360.15805	28.1
361.16229	3.9
375.18127	100.0
376.18524	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1816
Annotation	Sauriol B
Peak:m/z	Relative Intensity
50.79290	1.7
59.01360	4.9
69.16006	7.1
69.16417	5.1
82.16177	1.3
108.02174	2.8
109.02937	4.6
121.02966	8.9
122.03770	5.6
123.00887	2.3
123.04545	11.0
124.01706	7.2
125.02451	3.9
135.04520	3.4
137.02446	15.1
138.03233	50.8
139.04060	9.6
148.05299	5.9
149.06006	4.1
150.03252	4.0
152.01103	2.0
152.04749	3.6
153.01897	4.1
153.05568	20.9
161.10188	1.4
162.03253	5.9
163.03983	5.4
163.07632	5.0
164.04810	55.7
165.05371	5.4
167.03479	2.3
170.02179	7.0
173.06046	2.7
175.07637	5.8
176.04779	4.5
179.03470	2.7
179.07141	22.5
180.04294	16.1
180.07487	1.5
189.09174	1.7
190.06171	1.8
191.07167	22.9
192.07895	15.5
193.08392	2.2
194.05872	4.8
205.05043	3.5
205.08426	1.7
206.05856	14.6
207.06543	4.1
217.00360	7.5
220.07341	2.3
249.89948	1.4
279.10205	2.0
297.11395	2.3
313.10849	2.2
316.13202	2.9
328.13129	8.2
330.14752	1.8
331.15582	2.5
343.15509	100.0
344.15839	9.6
360.15851	9.0
375.18118	90.2
375.25858	2.9
376.18341	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86445	0.7
60.97524	0.8
63.85896	0.7
65.08429	0.7
68.38561	0.7
70.94122	1.4
74.99077	2.5
80.61366	0.9
87.27488	0.7
93.00118	1.1
124.72694	0.6
143.05374	1.0
149.00981	0.8
159.08472	11.7
161.06436	2.1
208.15808	0.7
209.01222	1.7
217.07161	1.8
218.13994	0.7
222.78030	0.7
239.57985	0.7
275.06055	1.1
277.07596	2.2
289.07605	2.3
291.09116	99.9
292.09216	14.2
309.10123	1.1
357.13678	2.3
359.15372	100.0
360.15570	17.4
375.18442	4.3
376.18463	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65447	0.7
55.83554	0.8
70.99216	1.2
74.99077	3.4
80.61356	0.9
85.95729	0.7
93.00175	0.9
101.54008	0.7
125.97990	0.8
133.71272	0.7
149.00951	0.9
159.08473	11.1
161.06415	3.4
181.16299	0.8
192.98161	1.4
209.01326	2.3
217.07306	2.4
275.06082	1.1
277.07486	2.9
290.23499	0.9
291.09109	98.0
292.09244	13.8
293.07095	0.9
309.10007	1.1
357.13989	2.1
359.15381	100.0
360.15515	18.4
375.18408	5.7
376.18515	2.1
377.16483	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	17.1
63.05611	1.0
67.37464	0.9
75.00853	1.9
79.50671	1.0
81.03474	4.5
90.35150	0.9
97.93165	3.2
104.71316	1.1
113.92616	1.9
114.93403	4.2
137.06102	10.0
277.21732	100.0
278.22043	10.5
374.10208	1.1
375.29086	3.9
384.11060	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.1
57.03461	2.6
58.00583	2.3
59.01383	77.0
71.01385	27.7
71.31502	1.1
72.99313	3.0
73.02959	1.9
83.01382	1.4
85.02958	6.6
89.02451	18.9
95.01398	2.3
99.00891	1.1
101.02457	14.2
113.02464	7.9
119.03522	7.2
136.01637	2.5
137.02034	1.4
138.02234	1.4
151.03989	1.9
152.04341	1.5
153.09236	3.9
161.04602	1.9
167.67290	1.2
191.05672	1.1
195.13902	8.2
213.14960	4.1
250.53648	1.0
357.26611	2.2
357.64258	1.1
373.25354	1.4
375.20255	100.0
375.27542	48.8
376.20602	9.3
376.27719	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51174	2.4
57.46437	2.2
59.01091	3.4
59.01384	50.9
66.39796	2.1
70.87303	4.5
93.94248	2.3
95.05061	3.1
99.92602	6.8
102.57949	2.2
121.10238	31.2
125.09692	3.7
126.82315	2.4
162.30296	2.1
171.10284	68.3
171.11697	4.7
172.10620	3.6
179.10786	3.0
181.12328	8.2
193.08469	10.8
217.00380	3.9
231.21199	3.9
253.09491	3.2
275.20181	100.0
276.20532	14.1
278.11365	10.3
293.21252	82.2
294.21643	7.6
315.19431	42.5
316.19736	2.9
329.17352	4.2
359.18454	6.3
375.21356	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69902	0.3
57.03460	1.8
58.00580	0.8
59.01388	0.6
67.29469	0.4
69.03467	0.5
69.23313	0.4
69.23508	0.4
69.23920	1.8
73.02955	0.4
75.00871	0.4
78.81664	0.4
83.05016	0.3
87.04524	0.6
110.93063	0.4
111.08183	0.5
123.08170	0.8
125.09724	1.5
127.11260	1.7
137.09805	0.9
141.80101	0.3
143.10789	1.5
155.10788	1.7
157.12317	0.7
166.75500	0.4
171.10271	1.7
201.11357	1.8
206.10844	0.4
223.17119	0.8
263.93704	0.4
293.21500	0.5
327.21814	0.4
329.23251	2.1
333.10010	0.4
339.25345	0.8
355.24997	0.7
357.26437	4.5
373.25946	3.5
375.27502	100.0
376.27869	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.9
57.55934	0.3
59.01383	4.1
71.01393	1.1
73.02939	0.9
87.04521	0.6
89.02435	0.5
97.06586	0.7
101.02438	0.7
111.08147	0.4
113.02465	0.6
113.09763	0.5
120.36058	0.3
123.08180	1.1
125.09711	0.9
127.11304	1.0
127.46715	0.3
135.08197	0.6
137.09697	0.5
139.11307	0.4
141.09216	0.4
141.12857	0.5
143.10767	0.8
153.09212	1.1
155.10760	0.9
157.12338	1.0
169.12317	0.9
171.10269	1.0
185.11845	1.7
201.11382	0.4
215.12874	0.9
217.00171	0.7
222.90739	0.3
228.75053	0.3
250.72992	0.3
259.39240	0.3
266.35123	0.3
293.21347	0.4
311.22360	0.7
327.21994	0.4
329.23364	3.1
330.23267	0.4
339.25552	0.6
357.26419	3.0
358.26974	0.6
373.25937	2.7
375.27518	100.0
376.27884	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14208	15.3
59.01387	100.0
65.97130	15.7
69.60997	79.4
71.01382	36.2
73.02944	73.3
74.17554	15.1
84.11912	14.2
85.02932	26.1
89.02454	28.6
164.04759	18.6
171.10271	54.5
179.03365	19.3
192.74092	15.8
215.09413	27.5
234.97696	15.4
257.12918	24.0
354.21478	15.9
376.14761	36.1
377.18036	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14208	15.3
59.01387	100.0
65.97130	15.7
69.60997	79.4
71.01382	36.2
73.02944	73.3
74.17554	15.1
84.11912	14.2
85.02932	26.1
89.02454	28.6
164.04759	18.6
171.10271	54.5
179.03365	19.3
192.74092	15.8
215.09413	27.5
234.97696	15.4
257.12918	24.0
354.21478	15.9
376.14761	36.1
377.18036	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	23.9
62.08010	10.5
67.27995	10.8
69.14906	89.8
71.01381	22.1
76.38829	10.1
85.02997	10.6
98.21745	24.7
101.02422	16.6
104.84270	11.6
128.11098	13.7
128.53862	10.9
149.02460	100.0
150.03210	22.6
161.04492	12.6
164.04866	24.0
165.05499	23.7
195.06645	15.3
257.47406	11.7
277.11307	12.1
314.11465	24.3
329.14001	98.2
377.18152	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	18.5
71.30383	20.4
72.30130	12.2
108.02209	27.1
109.02979	15.5
121.02921	13.6
122.03849	14.2
123.04528	45.6
134.03749	16.2
139.07661	21.2
144.45773	11.1
149.02426	46.2
150.03140	19.8
151.04045	22.3
163.98082	11.7
164.04785	91.9
176.04791	55.4
177.05196	65.3
179.07143	35.8
189.01924	45.1
191.07130	79.0
192.07465	91.2
329.13803	23.7
332.05920	20.6
341.06641	72.5
346.13934	24.4
376.04947	79.7
377.09100	100.0
377.18143	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14208	15.3
59.01387	100.0
65.97130	15.7
69.60997	79.4
71.01382	36.2
73.02944	73.3
74.17554	15.1
84.11912	14.2
85.02932	26.1
89.02454	28.6
164.04759	18.6
171.10271	54.5
179.03365	19.3
192.74092	15.8
215.09413	27.5
234.97696	15.4
257.12918	24.0
354.21478	15.9
376.14761	36.1
377.18036	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94090	100.0
71.29786	96.6
88.56886	82.6
145.34904	89.9
150.82864	98.1
175.64587	89.3
196.99399	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.1
58.00585	4.6
59.01091	5.0
59.01384	95.0
69.21042	15.5
69.21457	3.8
71.01389	47.3
72.99310	3.6
73.02950	25.3
83.01379	3.3
85.02953	12.3
87.00856	4.5
89.02452	49.9
93.74180	2.5
95.01397	3.3
97.06582	2.7
101.02451	21.0
109.02972	4.6
113.02451	14.1
119.03522	23.4
121.02988	3.5
132.59219	2.6
135.08170	9.9
141.05685	3.2
143.03491	4.1
149.02505	4.8
149.04465	3.1
150.03214	7.9
151.04037	27.5
153.09222	100.0
154.09552	3.9
161.04546	3.1
171.10294	16.4
179.03561	3.3
179.05608	6.8
179.07155	28.5
180.04280	7.7
180.07555	3.1
181.05058	13.6
197.08209	65.5
215.09279	35.2
222.10757	3.2
257.10342	3.5
258.10657	2.9
329.10233	3.7
333.15018	3.3
347.07739	5.9
377.08978	6.4
377.14435	24.7
377.18466	4.2
378.14828	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.1
58.00585	4.6
59.01091	5.0
59.01384	95.0
69.21042	15.5
69.21457	3.8
71.01389	47.3
72.99310	3.6
73.02950	25.3
83.01379	3.3
85.02953	12.3
87.00856	4.5
89.02452	49.9
93.74180	2.5
95.01397	3.3
97.06582	2.7
101.02451	21.0
109.02972	4.6
113.02451	14.1
119.03522	23.4
121.02988	3.5
132.59219	2.6
135.08170	9.9
141.05685	3.2
143.03491	4.1
149.02505	4.8
149.04465	3.1
150.03214	7.9
151.04037	27.5
153.09222	100.0
154.09552	3.9
161.04546	3.1
171.10294	16.4
179.03561	3.3
179.05608	6.8
179.07155	28.5
180.04280	7.7
180.07555	3.1
181.05058	13.6
197.08209	65.5
215.09279	35.2
222.10757	3.2
257.10342	3.5
258.10657	2.9
329.10233	3.7
333.15018	3.3
347.07739	5.9
377.08978	6.4
377.14435	24.7
377.18466	4.2
378.14828	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1426
Annotation	Abafungin
Peak:m/z	Relative Intensity
54.13843	0.9
59.67438	0.8
61.98836	1.9
64.66638	0.8
70.83193	0.8
71.30066	0.8
96.96033	1.3
99.92596	80.2
100.92612	4.8
100.93306	1.5
115.91245	1.1
115.92088	42.1
116.92247	3.7
116.92873	100.0
117.92855	5.2
124.12267	0.8
165.03087	0.7
167.20076	0.8
232.74176	0.8
277.21832	6.6
279.22290	1.0
290.06357	1.3
308.07254	2.7
333.15363	1.2
341.10651	0.9
359.13297	1.1
373.11230	4.8
374.11221	1.1
377.14288	44.6
378.14453	7.8
391.12125	5.2
392.12598	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1456
Annotation	Lamiol
Peak:m/z	Relative Intensity
53.83431	0.7
57.03434	0.9
59.01382	11.4
61.92208	0.7
69.05765	4.2
69.06185	3.6
71.01387	5.8
73.02952	10.2
85.02952	4.8
85.06590	1.2
87.04540	1.4
89.02448	5.8
97.06618	2.3
101.02448	3.1
113.02469	3.2
119.03504	2.4
121.06616	0.8
123.08172	5.4
125.09727	0.9
135.08174	3.5
141.05582	2.4
141.09227	35.6
142.09569	1.8
153.09225	23.5
171.10277	34.7
172.10646	2.2
185.08195	6.5
197.08182	18.7
206.91539	0.8
215.09250	100.0
216.09612	5.8
225.90704	0.8
239.09236	3.0
257.10278	3.8
258.10736	1.1
377.14517	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57907	1.5
57.03455	2.2
58.00571	2.6
59.01381	88.1
59.91646	1.2
68.00215	1.3
69.03893	5.7
69.04314	5.0
71.01389	46.9
72.99332	3.7
73.02947	2.0
83.01388	2.9
85.02962	8.4
87.00903	2.1
89.02452	60.2
93.22569	1.3
95.01389	3.4
99.04447	1.6
101.02451	23.3
104.76428	1.4
113.02464	16.1
119.03511	22.2
131.03500	2.6
143.03500	2.6
153.09225	67.8
154.09570	3.3
161.04553	3.2
179.05602	5.1
193.87473	1.3
197.08199	100.0
198.08597	5.7
215.09193	2.7
377.14575	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78946	1.2
55.01894	1.8
57.03448	2.1
58.00613	1.8
59.01387	33.6
60.01724	1.4
62.87906	1.3
68.49441	1.1
69.57910	6.6
71.01390	17.5
72.99333	1.4
73.02953	58.5
79.05547	1.3
84.02161	1.3
85.02967	8.6
85.96095	1.2
87.00921	1.6
87.04545	3.3
89.02448	15.3
94.98366	1.4
95.01425	2.0
95.05048	1.7
97.02971	1.5
97.06584	13.9
101.02444	9.1
109.02943	1.7
111.00899	5.1
111.17130	1.3
113.02436	9.4
114.61685	1.3
119.03524	8.3
121.06632	1.5
123.04576	1.9
123.08160	2.7
125.02396	1.4
126.37399	1.2
135.08186	5.4
141.05591	19.3
141.09256	8.8
151.04057	1.4
153.09225	45.5
165.05579	1.5
166.02838	1.3
171.10301	27.8
179.05695	1.5
185.08315	1.5
197.08205	24.0
215.09254	100.0
216.09517	7.1
257.10281	15.9
258.10712	1.5
317.12570	2.4
377.14581	11.8
377.18536	1.9
378.14926	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.6
57.03431	2.4
59.01099	1.3
59.01379	22.9
65.87013	1.0
69.44824	7.2
69.54382	0.9
70.40632	1.1
71.01376	9.1
73.02950	39.9
79.05522	1.9
85.02953	4.5
87.04510	3.9
89.02452	6.2
91.65526	1.1
95.01350	1.1
95.05015	2.5
97.02937	2.2
97.06586	10.7
98.22522	1.6
98.30897	1.2
101.02429	5.1
111.04515	1.3
111.08166	2.0
113.02454	5.8
119.03516	2.9
120.00902	1.1
123.04545	1.4
123.08144	3.9
134.03676	1.4
135.04529	61.1
135.08142	8.4
136.04865	3.0
141.05579	12.7
141.09186	9.8
153.09218	32.3
154.09509	1.8
155.07161	2.6
161.04654	1.3
171.10281	29.0
172.10486	1.7
177.78662	1.0
179.03499	2.9
181.00800	1.0
183.10214	1.6
185.08205	1.1
197.08188	11.2
215.09241	100.0
215.32925	1.1
216.09598	5.4
257.10327	18.8
297.09741	4.0
317.12305	1.6
341.08908	6.5
377.14447	11.4
377.18567	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91454	0.9
52.55698	1.0
53.49946	0.9
59.01384	1.2
71.30474	2.1
93.03450	2.7
95.05071	1.5
121.02966	9.1
122.03749	3.6
132.02168	1.1
149.02452	100.0
150.03253	24.1
164.04788	17.6
165.05586	23.5
166.06340	2.4
167.07133	6.2
180.04326	2.3
181.08717	1.0
195.06635	11.1
283.09882	2.6
285.11414	1.6
314.11642	25.5
314.15131	2.1
315.11948	4.4
329.13953	83.6
330.14368	9.6
368.32150	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1609
Annotation	3-Oxo-4beta,8beta,10beta-trihydroxy-15,16-epoxy-cis-clerodane-13(16),14-dien-20,12-olide
Peak:m/z	Relative Intensity
57.61995	1.1
70.36147	2.3
70.36514	2.6
109.02953	4.2
119.08749	1.3
121.02902	1.3
124.01675	79.0
125.02420	5.3
136.01662	2.7
137.02448	16.5
138.03241	29.5
139.04028	100.0
140.04352	3.7
150.03229	1.5
151.04033	2.9
152.01141	2.8
152.04808	2.9
153.01955	26.1
153.05582	11.3
154.05827	1.1
162.03290	1.6
163.03992	1.4
164.04808	26.2
165.05563	9.5
167.03514	5.8
170.02187	4.5
172.64789	1.4
175.07628	1.7
179.07193	9.2
180.04353	1.5
184.03813	1.9
191.07143	4.8
192.07918	9.5
194.85356	1.1
204.07883	3.9
205.08690	2.8
206.05928	2.2
207.06532	1.3
219.10194	3.0
333.20609	1.3
334.88937	1.1
359.15024	12.7
360.15460	1.8
362.13889	1.4
377.16064	91.5
377.19785	3.3
378.16428	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1973
Annotation	Methylmitrekaurenate
Peak:m/z	Relative Intensity
55.33356	0.8
59.01385	49.3
64.34617	0.9
69.03461	25.5
69.83552	1.6
69.83932	1.9
70.03738	0.8
78.95901	3.0
80.53646	1.0
83.05021	1.0
109.06622	1.2
136.33296	0.9
142.99011	1.1
153.12814	1.5
176.81520	0.9
197.11778	2.6
211.07587	1.2
215.12936	6.2
224.31754	0.9
229.15971	1.8
261.22168	1.0
271.17062	2.4
273.18652	9.3
274.19028	1.1
289.21765	64.4
290.22128	7.5
305.21231	72.1
306.21585	9.8
315.19632	2.9
333.20737	68.4
334.21069	8.5
339.21014	1.0
352.92273	0.9
377.19724	100.0
377.27957	5.8
378.20319	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06158	3.3
59.01395	22.1
59.05455	3.5
70.88773	8.6
92.36255	3.4
95.05080	4.8
95.59319	3.1
99.92593	4.8
102.01727	3.6
109.94894	3.5
113.48007	3.9
171.10326	17.0
195.13914	12.5
197.27989	3.7
207.17903	3.7
235.55951	4.4
249.22354	3.8
277.21747	24.8
278.11209	4.2
279.11740	4.7
295.22794	100.0
296.23145	9.4
317.20984	48.6
318.21082	3.9
361.20013	4.9
377.23004	10.3
379.70645	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2486
Annotation	Rugulosone
Peak:m/z	Relative Intensity
50.91571	0.2
59.01376	0.6
59.22477	0.3
59.98262	0.3
59.98526	2.9
67.05518	0.5
69.68092	1.1
72.91268	0.2
83.05022	1.3
91.05534	0.5
94.42332	0.2
99.04520	0.5
105.07114	0.3
111.04540	1.9
125.06144	0.3
131.08658	0.7
138.06877	18.8
139.07486	0.8
145.06598	0.3
153.05591	1.7
163.95059	0.2
167.21638	0.3
171.11832	0.5
175.93730	0.2
186.65150	0.3
218.62083	0.2
223.15106	0.4
237.16463	0.6
239.18059	2.7
240.18396	0.4
241.16318	0.2
265.19745	0.3
317.22739	0.3
331.24335	0.5
333.25873	4.3
334.26355	0.5
347.23651	0.4
377.24863	100.0
378.25226	15.5
396.04309	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76931	0.7
51.36262	0.7
52.40483	0.5
61.98834	0.7
67.05498	0.6
69.05188	6.1
83.59159	0.6
97.68122	0.6
99.04549	0.6
111.04514	0.8
133.10205	0.9
139.07634	0.8
156.86971	0.7
224.15532	0.6
249.61642	0.7
255.66212	0.6
265.19614	1.4
317.22696	4.1
318.22891	0.7
332.75540	0.6
333.25906	4.6
335.94952	0.6
346.22693	0.6
377.24875	100.0
378.25223	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18022	1.2
52.73367	1.3
53.94822	1.3
58.78460	1.1
58.82730	1.1
59.01373	2.3
59.57021	1.0
61.98835	100.0
66.37426	1.1
70.69098	1.3
71.14194	1.3
71.94174	1.2
89.02428	1.2
108.28252	1.1
319.09418	1.2
379.16217	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36910	1.6
61.98836	100.0
69.74659	1.9
71.01380	7.2
71.30567	2.1
71.30963	2.3
75.97726	1.7
87.76758	2.2
93.60661	1.7
95.09322	1.7
96.61619	1.5
99.92590	2.7
101.98117	6.3
106.24182	1.7
109.02964	2.1
112.52576	1.7
123.14149	1.7
137.02400	2.3
138.02866	1.8
139.02925	2.0
151.89853	1.6
155.99130	2.2
177.09302	2.1
178.08047	2.2
192.11575	6.7
201.60419	1.9
205.12433	2.5
219.97740	2.2
220.14705	33.4
221.15468	58.0
222.15846	6.7
231.17548	3.3
236.10573	47.5
237.10913	1.9
275.16705	4.2
281.38879	2.0
293.17627	10.6
305.12338	4.1
306.12982	2.4
360.08978	1.7
360.14337	6.4
363.16711	3.4
378.15213	42.1
378.19272	5.9
379.15283	2.1
394.78458	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85217	90.2
55.18993	80.9
62.64498	89.0
67.15181	80.4
71.31702	100.0
73.59640	87.6
96.96026	88.6
139.86957	85.3
172.44366	93.4
360.77036	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25549	7.7
56.49883	7.5
59.01381	99.8
69.40760	34.6
71.01394	41.8
73.02943	25.1
83.01403	11.5
85.02954	26.9
88.98816	20.3
89.02460	43.1
96.96012	7.3
97.48109	7.6
98.22491	15.1
101.02448	28.7
102.68181	6.6
113.02462	17.9
123.04536	8.7
125.02427	18.8
134.03754	9.8
135.04572	49.6
137.02310	8.4
149.06033	10.7
149.44070	8.5
161.04521	8.8
161.05923	9.5
167.03485	10.1
173.11861	24.0
179.07126	11.8
181.05119	14.3
182.74342	7.3
186.14893	9.9
198.92604	39.7
212.94179	11.1
217.10886	17.3
238.92033	8.4
240.93616	42.3
243.92404	11.7
378.96786	39.7
379.16177	100.0
380.16241	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74102	2.3
57.03464	3.7
58.00595	3.2
59.01094	5.0
59.01385	100.0
61.98810	8.6
69.48597	15.0
71.01390	40.9
71.05014	2.5
72.01712	2.8
72.99303	5.7
73.02948	7.8
83.01385	5.7
85.01208	4.4
85.02986	12.5
87.00871	4.2
89.02454	29.3
93.03455	4.9
93.07098	3.8
95.01369	3.5
95.05020	8.3
97.02984	4.9
98.22510	3.8
99.04525	3.8
101.02456	22.1
101.58395	2.6
113.02437	19.5
113.06110	60.6
114.05638	3.0
119.03499	12.0
123.04501	2.7
124.61800	2.6
129.00163	13.9
135.04547	25.8
137.06119	8.8
137.09714	4.2
143.07187	3.7
146.08292	12.5
155.10776	4.0
157.05083	52.3
158.05261	2.8
161.02438	2.7
161.04573	8.7
163.03918	2.8
173.11848	3.8
179.05678	6.1
181.05081	3.8
181.08727	3.6
199.09811	8.0
217.10893	15.1
230.88736	2.8
319.10333	3.4
319.13858	4.2
375.34473	2.8
379.07141	7.5
379.11685	3.4
379.16119	50.1
379.20847	5.3
380.15756	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1585
Annotation	DMH-1
Peak:m/z	Relative Intensity
59.01377	1.6
61.98825	5.1
62.50909	1.5
71.30376	2.0
88.46555	1.3
95.02033	1.3
99.92595	74.2
100.92612	5.3
100.93317	1.4
107.88053	1.3
115.92091	38.3
116.92872	100.0
117.92906	7.1
123.50578	1.2
157.59375	1.4
279.23364	4.9
281.24136	1.6
335.16934	2.7
375.12726	2.7
379.15860	49.8
379.20810	2.6
379.28995	2.7
380.16135	9.3
393.13809	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22200	1.2
51.03359	1.1
57.03463	1.2
59.01381	65.8
60.01743	1.1
66.02149	1.4
70.63763	1.6
71.01389	32.1
72.99313	1.9
73.02956	2.5
85.02962	5.0
87.00893	2.6
89.02454	36.9
91.17076	1.2
95.01394	3.0
101.02454	14.3
113.02454	10.8
119.03519	16.4
131.74110	1.2
137.09717	5.4
143.03546	2.2
143.07146	2.3
149.04617	1.5
155.10789	100.0
156.11105	6.5
161.04584	1.6
179.05618	4.3
199.09761	82.7
200.10117	3.5
217.10867	5.2
231.56378	1.2
317.22754	1.2
379.16205	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.8
70.65759	1.5
71.01386	4.2
73.02948	28.3
79.50139	0.6
80.24030	0.8
81.70444	0.7
85.02961	1.4
87.89676	0.7
89.02451	3.2
95.05072	1.2
97.06599	8.0
99.00868	1.6
99.08127	1.1
101.02454	1.8
113.02443	2.9
119.03509	1.6
125.05244	1.3
125.06094	14.4
137.09746	1.3
143.07152	87.8
144.07516	3.7
155.10789	75.7
156.11131	3.5
199.09767	9.3
199.74612	0.8
217.10815	100.0
218.11168	6.7
259.11792	5.9
379.15961	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
57.76198	1.0
58.00591	1.7
59.01381	58.3
61.55931	1.1
69.17789	8.5
69.18155	1.1
71.01387	29.9
72.99306	1.5
73.02946	2.0
74.40714	1.1
83.01380	1.5
85.02975	5.7
87.00849	2.3
89.02454	32.4
95.01397	1.6
98.22458	2.8
101.02457	13.9
113.02451	11.4
118.15876	1.2
119.03506	13.9
131.03435	1.2
137.09729	4.1
143.03482	2.3
143.07129	1.5
148.93906	1.2
153.96266	1.1
155.10794	100.0
156.11124	5.1
157.15030	1.3
161.04543	1.5
168.04639	1.3
179.05608	2.8
198.01494	1.1
199.09769	82.5
200.10126	5.6
217.10884	1.6
217.14548	1.5
379.16098	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25203	0.9
59.01384	100.0
60.01745	1.2
69.15762	6.9
69.16170	1.6
71.01391	5.9
73.02934	2.0
77.65730	0.8
82.99426	0.9
84.57013	0.9
85.02971	3.1
89.02463	1.1
98.21797	2.0
101.02469	7.2
113.02490	4.1
155.10561	0.9
161.04559	3.8
204.34973	1.0
223.35927	0.9
225.46649	0.9
319.17697	4.6
333.48126	1.0
379.19684	9.6
403.25070	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1564
Annotation	O-beta-D-glucosyl-trans-zeatin
Peak:m/z	Relative Intensity
54.37497	0.7
55.01886	0.8
55.67240	0.9
58.00601	0.8
59.01385	20.5
59.74621	0.7
64.86723	0.7
66.21764	0.6
70.53849	1.7
70.54202	1.0
71.01389	40.2
71.05024	6.8
73.02973	1.5
83.01425	1.3
85.02946	3.3
88.04045	5.6
89.02457	9.4
95.01381	1.2
99.04529	1.9
101.02454	7.8
109.02917	0.9
113.02458	4.6
116.03536	1.2
116.07185	1.2
119.03516	3.1
128.07198	2.0
146.08247	62.6
147.08617	1.9
161.04610	1.2
174.89278	0.6
263.11456	1.2
283.20370	0.7
308.13452	6.3
339.08667	1.4
362.14603	2.8
380.15640	100.0
381.10510	1.5
381.15958	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21137	19.4
59.01379	54.3
61.98816	34.1
69.14009	100.0
69.14412	40.3
71.01369	46.8
73.02954	24.5
78.95951	15.4
85.02959	21.2
99.92619	17.8
101.02455	36.2
109.02927	26.6
139.03957	15.4
149.24414	18.2
152.76718	17.4
161.84726	15.3
167.03551	16.1
175.04060	19.9
181.08662	19.8
197.78789	19.2
205.06256	18.2
228.84711	18.0
229.05023	19.1
235.11801	37.2
339.08618	25.5
381.09802	28.5
381.17429	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98829	41.4
69.66916	34.7
71.01385	67.0
78.95918	39.4
85.02970	12.1
87.00890	16.4
89.02460	74.0
96.96963	48.3
98.85239	10.7
101.02451	55.3
105.97868	9.8
109.03032	12.1
113.02461	29.6
119.03542	30.3
119.05042	32.9
126.98895	16.5
132.04604	26.1
135.04573	47.9
137.02448	17.3
138.19138	9.8
139.66083	10.1
147.04552	40.2
157.07729	29.4
158.06091	22.5
161.04614	22.0
165.05603	24.3
166.05159	12.9
177.00563	21.9
179.04277	9.7
179.05614	51.7
217.05112	10.4
219.07872	38.8
221.05330	10.8
283.08646	12.0
296.48151	11.5
327.10858	22.3
339.08740	14.4
381.09659	49.0
382.08795	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.4
58.00597	3.0
59.01382	66.9
59.05814	1.1
61.98836	1.5
66.37698	1.0
68.07860	1.0
69.78219	2.1
69.78603	1.8
71.01386	41.5
72.99306	5.4
73.02950	1.6
73.73802	1.0
74.33270	1.0
75.06355	1.0
78.95914	1.8
83.01404	2.3
85.02966	7.3
86.02484	2.8
87.00883	3.8
89.02449	48.0
90.02763	1.2
95.01378	3.1
98.21856	1.6
98.94971	1.2
99.00874	1.8
101.02454	29.1
109.02963	1.9
113.02464	13.9
116.05048	1.4
117.00455	1.7
119.03507	22.0
125.02472	1.5
128.05035	1.5
130.06653	7.3
131.03645	5.4
132.04587	1.5
135.04480	1.5
137.02417	1.8
143.03537	2.2
143.61479	1.0
144.04579	2.3
149.04558	1.1
155.06194	2.9
157.07724	100.0
158.06145	1.9
158.08095	5.4
161.04662	1.9
167.02141	1.1
170.97887	1.3
175.04085	1.8
177.00415	2.5
179.05719	2.9
201.06679	21.3
205.92070	1.1
209.11983	1.2
219.01607	1.4
229.05031	1.7
381.13181	42.7
382.13391	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	57.8
61.98820	25.6
64.73018	18.5
69.03483	16.1
69.24102	100.0
71.01381	37.0
73.16898	14.6
79.63675	12.7
85.02934	17.0
101.02444	32.7
111.27625	13.7
113.02486	18.8
119.15457	12.6
127.00344	18.4
136.07695	34.0
139.07733	14.7
143.07234	19.8
150.06450	13.7
152.25252	14.5
155.10748	16.4
159.10234	14.1
160.98586	13.7
181.08644	25.6
183.10252	58.9
197.08051	14.8
217.10832	23.4
237.27289	14.4
249.13474	39.4
250.10919	21.5
286.75314	14.7
336.72662	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28316	18.3
57.03447	29.9
59.01368	58.7
66.63557	17.8
69.41133	100.0
71.01382	41.0
73.02913	22.3
78.95950	23.3
82.54942	18.2
90.50152	17.5
101.02489	30.0
113.02413	27.2
116.92957	23.4
118.05716	18.9
125.02423	27.1
145.02925	26.2
152.99686	30.8
183.10280	89.7
205.08981	21.9
229.01326	26.8
270.77884	23.1
353.72504	26.0
381.19385	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05630	1.9
61.98558	1.7
71.20197	3.3
73.30171	1.8
74.99079	25.6
75.96230	2.8
79.73512	1.8
91.02218	38.6
92.02190	2.3
93.00154	15.1
100.50414	1.9
107.99255	1.9
134.91893	1.9
159.08487	100.0
160.08624	4.1
161.06412	11.7
189.05875	2.2
365.11249	2.3
397.42346	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99677	0.5
55.01881	4.8
57.03456	4.0
58.00592	1.9
59.01382	41.3
59.02883	0.5
59.71653	0.5
64.11108	0.5
69.03455	0.6
69.15744	3.3
69.16151	1.6
70.88461	0.6
71.01388	49.0
72.01704	1.4
72.99321	2.9
73.02951	19.5
74.02495	0.6
75.00877	1.2
83.01395	12.4
83.05015	1.1
83.83789	0.6
85.02956	27.2
86.00075	0.7
86.03322	0.7
87.00885	2.0
87.08126	0.6
89.02454	6.1
94.02965	0.6
95.01401	4.1
97.02948	1.5
97.06589	0.6
99.00294	0.6
99.00893	8.9
101.02451	52.1
102.02795	1.6
111.00881	1.4
112.04057	0.7
113.02457	21.3
119.03497	1.0
125.02481	1.5
127.04042	3.1
129.01907	1.5
131.03516	28.9
132.03773	0.8
136.04059	3.7
136.52585	0.6
138.05574	0.5
143.03493	2.5
143.07141	2.5
145.07620	1.1
155.10809	2.8
156.11131	1.3
157.11325	0.9
159.03029	5.6
159.06615	2.4
161.04572	26.8
162.04919	1.6
164.03522	6.1
170.09180	0.6
174.43773	0.6
184.06218	3.4
196.06194	8.0
204.07729	1.1
205.03412	1.2
217.10854	1.6
218.11240	0.6
219.11264	2.1
229.62685	0.7
249.13446	100.0
250.13806	5.6
261.12448	1.3
293.12369	0.8
368.12015	0.6
381.11841	0.8
381.16904	0.9
381.21478	0.9
382.52103	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99677	0.5
55.01881	4.8
57.03456	4.0
58.00592	1.9
59.01382	41.3
59.02883	0.5
59.71653	0.5
64.11108	0.5
69.03455	0.6
69.15744	3.3
69.16151	1.6
70.88461	0.6
71.01388	49.0
72.01704	1.4
72.99321	2.9
73.02951	19.5
74.02495	0.6
75.00877	1.2
83.01395	12.4
83.05015	1.1
83.83789	0.6
85.02956	27.2
86.00075	0.7
86.03322	0.7
87.00885	2.0
87.08126	0.6
89.02454	6.1
94.02965	0.6
95.01401	4.1
97.02948	1.5
97.06589	0.6
99.00294	0.6
99.00893	8.9
101.02451	52.1
102.02795	1.6
111.00881	1.4
112.04057	0.7
113.02457	21.3
119.03497	1.0
125.02481	1.5
127.04042	3.1
129.01907	1.5
131.03516	28.9
132.03773	0.8
136.04059	3.7
136.52585	0.6
138.05574	0.5
143.03493	2.5
143.07141	2.5
145.07620	1.1
155.10809	2.8
156.11131	1.3
157.11325	0.9
159.03029	5.6
159.06615	2.4
161.04572	26.8
162.04919	1.6
164.03522	6.1
170.09180	0.6
174.43773	0.6
184.06218	3.4
196.06194	8.0
204.07729	1.1
205.03412	1.2
217.10854	1.6
218.11240	0.6
219.11264	2.1
229.62685	0.7
249.13446	100.0
250.13806	5.6
261.12448	1.3
293.12369	0.8
368.12015	0.6
381.11841	0.8
381.16904	0.9
381.21478	0.9
382.52103	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.2
55.02111	0.5
57.03446	3.2
57.03699	0.5
58.00601	1.1
59.01381	31.9
69.03460	0.8
71.01387	42.2
71.05035	0.8
71.86445	0.5
72.01753	0.5
72.99329	2.5
73.02949	20.7
74.03250	0.5
75.00893	2.0
78.13108	0.5
83.01390	14.1
85.02957	25.0
87.00876	2.2
89.02457	6.6
89.38360	0.5
89.53209	0.4
95.01398	2.8
96.47129	0.4
97.02977	1.6
99.00878	6.9
99.01461	0.5
101.02448	49.5
102.02823	0.8
103.04050	1.7
111.00904	1.3
113.02454	19.1
114.02792	0.6
119.03529	2.0
123.29425	0.5
125.02456	2.7
129.01971	1.6
143.03476	2.3
143.07204	0.8
145.05087	1.3
159.03008	5.0
161.04570	21.9
162.04936	0.9
163.06134	0.9
173.04633	0.6
191.05612	3.5
235.11874	100.0
236.12202	5.7
247.08195	0.8
279.10812	0.6
332.08942	0.5
347.67441	0.5
381.17603	23.1
382.17883	2.4
391.22726	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15583	0.9
58.02977	1.0
69.09400	8.3
84.91650	1.0
93.29099	1.1
95.58535	0.9
96.62242	0.9
98.21721	1.7
145.06851	1.0
153.12889	2.4
163.11322	1.6
165.12865	3.2
170.05798	3.1
179.07228	1.0
179.10794	12.6
181.12354	34.1
182.12723	2.1
195.10254	2.9
197.11819	2.6
199.13408	100.0
200.13692	4.9
215.12907	2.7
272.09711	1.1
279.78265	1.0
363.25406	3.9
381.11237	2.7
381.26367	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71050	1.3
59.01381	1.2
61.98825	3.2
69.75047	5.2
78.95898	10.2
79.38448	1.0
151.07707	2.1
152.99593	11.8
170.05933	3.4
228.92468	1.2
233.18854	1.3
249.18503	1.6
251.20090	3.6
277.18103	81.3
278.18375	8.3
279.19647	27.6
280.19904	3.5
295.19147	100.0
296.19449	11.1
297.15335	3.9
363.25357	13.8
364.25894	2.5
381.26385	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0418
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02740	2.0
55.01878	3.9
55.23330	1.8
57.03444	5.5
59.01385	21.2
61.98836	100.0
65.26092	1.5
65.91469	1.6
69.50915	7.4
71.01386	32.9
72.01705	3.2
72.99297	2.7
73.02937	13.1
74.99094	4.3
83.01395	7.4
85.02962	15.1
86.03297	3.9
87.00890	2.9
89.02451	4.4
95.01350	1.6
95.41111	2.1
99.00888	5.7
101.02459	33.6
102.02819	5.7
109.02976	1.8
113.02464	13.7
114.02799	1.9
125.02464	19.3
131.03520	12.0
132.03816	3.3
133.06937	2.2
133.52441	1.9
135.98291	1.8
136.99136	1.7
137.02493	2.7
151.00354	6.8
152.01012	1.7
153.01935	4.4
161.04576	11.5
162.04912	3.5
165.01984	3.4
175.00407	8.8
178.99861	7.7
191.03453	4.4
193.01424	47.9
215.03490	4.3
221.46574	1.8
249.13443	45.5
250.13741	25.3
251.14139	2.3
257.04456	2.3
301.03543	6.3
319.04599	5.8
340.64450	1.8
381.17752	4.0
382.18164	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01128	1.1
59.01381	12.4
59.67462	0.9
69.39902	5.9
71.01389	8.8
73.02930	1.4
75.00879	18.6
82.59681	0.9
83.01386	1.3
85.02972	4.4
87.00886	17.0
89.02435	3.5
101.02460	6.1
113.02460	2.9
115.05531	7.9
116.05043	3.5
116.05785	1.0
119.03474	1.0
128.60886	0.8
129.01877	0.9
130.06639	9.9
132.04562	29.0
133.02934	1.8
133.04877	1.5
138.47342	1.0
144.04588	1.8
146.06160	1.2
155.28291	0.8
157.05376	1.3
158.06117	100.0
159.06438	6.3
174.05621	2.9
202.05107	45.7
203.05408	3.5
220.06157	6.7
237.06117	7.2
249.06161	10.0
262.07193	1.1
364.11560	0.8
369.28491	0.9
380.85876	1.0
382.11426	55.5
383.11801	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.6
69.28936	1.8
70.36151	1.9
70.96653	2.9
85.02953	11.0
87.00857	2.4
93.03468	3.7
121.59415	2.0
123.54324	2.4
191.05635	100.0
192.06003	2.7
218.97926	2.3
220.33900	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.4
60.38807	1.3
69.02531	16.5
83.01373	1.6
95.05021	1.8
98.21740	2.6
99.04514	1.9
102.46964	1.5
107.11453	1.4
121.02979	4.1
145.06606	21.8
151.07652	2.5
153.01967	2.8
157.06598	4.1
168.04350	1.4
173.06084	90.8
174.06450	6.1
180.05801	1.8
181.06618	1.6
185.00420	1.4
185.02444	1.8
185.06033	1.9
196.05273	2.4
197.06088	2.3
201.05583	100.0
202.05914	6.3
209.02409	2.2
209.06154	2.4
211.04012	2.7
211.07640	3.0
212.04816	5.4
213.05560	11.4
221.06075	2.2
223.04091	2.8
224.04837	7.3
225.01645	1.8
225.05493	4.5
226.06326	5.8
227.07100	3.7
236.04620	1.7
237.01947	22.3
237.05560	7.0
238.02563	3.3
238.06345	3.8
239.03670	2.6
239.07283	3.3
240.04257	2.6
251.03450	4.0
251.07123	3.8
252.04250	17.9
252.06902	1.9
252.07811	1.7
253.04958	9.4
253.08775	3.3
254.05855	7.5
255.06569	3.3
256.03894	2.9
263.03589	2.1
264.04257	3.2
265.05087	10.7
266.05774	4.3
267.03033	3.4
267.06631	4.1
268.03754	3.1
269.08301	2.9
277.05176	2.7
278.05826	2.1
279.06625	4.2
280.03796	40.7
280.06998	2.7
281.04471	13.7
281.08234	5.7
282.05240	4.9
282.08350	1.9
283.05991	3.7
291.06827	2.1
293.04541	11.8
293.07703	2.4
294.05307	6.1
295.02878	2.8
295.06110	76.5
296.03214	4.1
296.06772	15.1
297.04449	2.4
297.07645	8.5
306.05383	1.6
307.06119	8.7
308.06815	5.0
309.04211	3.3
309.07690	8.5
310.04837	11.4
310.08499	27.8
311.05579	4.6
311.09198	9.3
312.09622	1.5
319.06107	4.1
320.06732	2.4
321.04205	1.7
321.07681	3.3
321.22250	1.5
323.05627	6.0
324.10101	2.1
325.07202	22.2
326.07666	3.5
335.05545	4.1
336.06244	11.2
337.07013	6.9
338.07922	14.1
339.08499	2.6
339.23349	4.5
340.09454	3.4
351.08777	2.8
353.06622	24.1
353.10419	31.3
354.07037	3.2
354.10886	4.1
368.08981	28.7
369.09418	4.0
383.11438	55.6
383.24960	8.7
384.11572	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	33.4
66.20538	8.1
69.17917	68.1
69.85157	8.2
71.01382	27.6
78.95910	29.4
85.02975	24.7
87.00900	12.7
89.02422	21.5
93.03468	18.0
96.96045	16.9
96.96984	11.2
101.02441	18.0
134.91579	19.1
143.03474	10.7
144.95389	12.0
152.93625	18.2
173.04471	13.1
179.05605	11.5
191.05630	100.0
249.00209	67.3
250.00591	10.3
284.98203	11.2
285.01193	8.1
379.65591	10.0
383.12064	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
64.39611	11.8
69.07917	93.1
69.08340	40.4
76.26584	15.5
82.09327	13.3
84.68134	11.6
89.02437	12.5
98.21672	16.7
113.02451	17.0
125.02428	38.5
185.11841	100.0
285.04160	20.2
294.80106	13.5
303.05350	12.3
361.20767	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32568	14.9
55.69916	14.7
59.01376	50.8
62.31861	15.0
63.47603	15.6
69.34682	100.0
71.01366	37.7
72.99315	15.8
75.32269	14.5
76.19675	18.7
83.01390	19.7
85.02965	21.9
89.02431	36.6
89.33344	14.4
95.83206	14.2
101.02445	21.5
101.61204	15.5
109.03001	25.3
125.02435	15.4
161.04625	20.5
286.39001	16.8
339.20853	21.2
345.15591	25.4
376.23715	15.1
383.14297	17.9
383.19543	62.0
384.14661	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1482
Annotation	Pervilleanone
Peak:m/z	Relative Intensity
59.01371	50.2
69.53886	100.0
71.01366	28.0
77.53818	16.8
82.16542	16.8
86.53352	14.4
87.00865	15.4
89.02407	16.5
109.02924	22.0
119.05022	81.8
135.61972	15.8
145.02963	80.2
163.04019	51.9
167.07068	17.4
191.05617	43.1
193.05048	16.0
221.04616	39.6
221.82571	17.8
237.94223	17.6
239.75290	16.1
383.14679	96.5
384.14145	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
64.39611	11.8
69.07917	93.1
69.08340	40.4
76.26584	15.5
82.09327	13.3
84.68134	11.6
89.02437	12.5
98.21672	16.7
113.02451	17.0
125.02428	38.5
185.11841	100.0
285.04160	20.2
294.80106	13.5
303.05350	12.3
361.20767	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	6.1
57.03449	6.0
59.01383	66.1
68.94658	2.2
70.50417	5.6
71.01387	100.0
72.99289	5.3
73.02957	31.3
83.01402	21.6
84.71238	2.3
85.02959	50.6
87.00925	4.5
89.02467	24.1
95.01401	9.0
97.03010	3.4
98.22453	3.2
99.00876	13.4
101.02451	86.3
102.02786	2.3
105.02603	2.4
113.02473	46.2
119.03514	7.1
125.02467	5.8
129.27199	2.6
134.04814	4.2
135.05008	2.5
142.39146	2.4
143.03525	9.2
159.03026	6.6
161.04584	39.9
179.05693	3.2
193.54015	2.6
221.10313	58.0
383.15588	59.0
383.20221	4.3
384.15741	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73650	0.7
59.01366	1.1
59.80271	0.7
59.99487	0.7
66.30261	0.8
71.29417	0.9
72.00901	5.8
72.04551	1.4
74.02483	50.9
75.02831	0.9
84.04569	1.1
86.06136	3.1
96.04574	1.2
98.06106	1.7
107.08635	0.8
110.02486	1.4
110.06125	3.0
112.07713	0.8
116.05076	42.3
117.05447	1.8
122.06184	1.1
130.06622	4.7
131.60429	0.9
135.08115	3.7
137.09753	3.6
142.06650	8.5
152.10851	2.0
157.07726	4.0
159.09290	6.9
164.10849	1.6
166.12392	3.4
186.05627	2.4
192.10330	3.5
193.10641	0.8
203.08276	86.0
204.08604	5.5
210.11368	29.4
211.11768	1.5
257.39139	0.8
274.62607	0.9
295.18170	8.5
339.17154	100.0
340.17456	11.6
353.10406	1.4
368.12698	1.5
383.16034	18.3
384.16360	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2227
Annotation	Resibufogenin
Peak:m/z	Relative Intensity
50.30551	0.9
57.03453	16.8
59.01366	4.1
61.37593	0.9
69.03442	1.5
71.32247	1.5
78.47237	0.9
81.03458	1.3
83.05031	5.1
87.25941	0.9
95.05032	19.8
97.06583	3.4
99.04527	25.8
109.06561	1.1
121.06567	1.3
129.87643	1.0
137.06053	2.7
138.06909	5.8
139.07603	1.0
148.48119	1.0
222.56950	1.0
227.14284	1.1
229.12303	1.2
245.15381	1.6
257.19171	8.6
269.18948	1.1
279.21066	2.2
297.22244	3.4
321.22247	14.0
322.22714	2.2
325.07193	1.8
336.30035	1.0
339.23291	64.7
340.23657	7.6
365.21198	11.4
368.09094	1.9
383.11441	4.5
383.22287	100.0
384.22614	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31382	0.9
57.03191	1.4
57.03452	23.2
59.01360	4.4
68.07282	0.9
69.03447	1.2
69.05952	4.6
69.06382	5.1
71.01353	1.2
81.03471	1.5
83.05030	6.9
92.08055	0.9
95.04450	1.5
95.05036	28.8
96.05338	1.1
97.06581	4.5
98.06954	1.0
99.04523	36.0
115.04361	0.9
121.06559	2.4
122.03716	1.5
135.08154	1.2
137.06108	1.6
138.06866	5.6
139.07639	1.0
144.96725	1.0
159.16537	0.8
163.11339	1.5
164.71570	0.8
177.09200	2.4
185.79132	0.9
187.11212	2.3
189.12823	0.9
196.11867	0.9
201.05533	1.1
201.12878	1.4
211.11307	1.8
225.12804	1.5
227.14346	1.5
241.16061	1.8
245.15390	1.4
246.92892	1.0
253.15919	2.2
257.19101	15.0
258.19125	1.0
265.05301	1.0
269.19101	3.0
279.21216	3.2
280.03806	1.5
292.89774	1.1
295.06116	3.3
297.22232	4.4
301.17981	2.1
310.08359	1.2
321.22211	22.2
322.22610	2.6
323.20099	2.6
324.20764	1.8
339.23303	100.0
340.23697	12.9
365.21228	22.1
366.21411	3.2
383.22272	67.0
384.22708	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	20.5
58.03783	0.6
59.01394	3.6
59.98510	0.6
68.28365	0.5
69.01008	0.5
69.03461	1.0
71.31782	0.5
79.05522	0.6
81.03469	1.7
83.05034	4.0
83.32282	0.6
95.05034	23.5
96.05368	0.7
97.06599	3.4
99.04528	37.2
100.04850	0.9
121.06610	1.2
122.03754	1.2
135.08215	1.2
137.06111	2.0
138.06897	3.9
139.07628	1.4
147.08165	0.7
163.11301	1.6
175.11234	0.6
177.09235	1.7
187.11349	1.0
189.12875	0.6
201.12912	1.0
227.14391	2.3
231.56419	0.5
244.90273	0.5
245.15485	1.9
257.19144	14.2
258.19464	1.9
269.18973	2.8
277.13333	0.6
279.20966	0.8
281.19147	2.0
283.16943	0.6
297.22214	3.6
298.22632	0.7
301.18036	1.0
321.22244	4.7
322.22205	0.7
323.19968	0.8
324.20850	1.1
339.23294	100.0
340.23633	13.6
365.21341	4.9
366.21375	0.6
379.85284	0.6
383.07758	1.1
383.22293	41.2
384.22574	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2441
Annotation	Sinuflexibilin
Peak:m/z	Relative Intensity
57.03459	0.9
70.29439	1.6
70.29805	1.4
71.04984	1.1
73.02947	1.5
83.05027	0.7
85.02908	0.8
85.57599	0.7
97.06572	1.0
98.21907	0.8
102.47937	0.9
109.06541	0.8
121.02986	2.4
121.95740	0.7
123.08152	1.5
125.09705	2.5
137.09755	1.4
139.11316	1.1
165.12856	2.0
167.14371	1.2
171.10265	6.5
176.92441	0.8
185.11807	2.8
186.28195	0.7
217.81671	0.7
239.12968	0.9
264.31345	1.0
274.85303	0.9
279.50732	0.9
303.23206	0.9
321.24487	1.9
337.23822	0.8
339.25549	6.8
365.23386	3.8
383.24405	100.0
384.24747	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
91.65714	2.0
128.08525	2.0
175.83112	1.7
199.29799	1.9
226.81091	2.0
252.86029	2.5
321.31662	57.0
322.31885	8.0
355.32239	3.9
365.30585	18.3
383.31595	100.0
384.31985	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57777	0.5
55.01864	0.9
57.03450	0.8
58.00604	0.7
59.01379	1.1
59.70255	0.4
65.03956	1.2
69.03456	0.7
70.65648	1.2
71.01385	2.7
71.05023	0.7
73.02952	22.2
81.03451	2.3
83.01353	0.5
83.05026	6.5
85.02953	4.1
93.03462	56.0
94.03795	1.5
99.00891	7.0
99.04520	6.4
101.02458	1.0
102.60690	0.4
109.02963	1.5
111.04529	23.9
112.04875	0.7
129.01962	2.9
136.01666	1.0
137.02454	16.7
138.02760	0.6
143.03539	3.4
151.04034	1.6
155.03505	11.2
159.94255	0.5
173.04555	100.0
174.04883	3.9
211.06036	1.1
238.75902	0.4
357.69254	0.5
385.05432	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.5
57.03445	4.9
58.00601	1.0
59.01372	2.6
65.03938	1.1
66.42294	0.7
67.01902	0.8
69.03451	1.3
69.22822	5.4
71.01385	3.1
71.05007	1.0
72.99316	0.8
73.02949	24.3
76.89968	0.7
81.03449	2.4
83.01403	1.7
83.05024	7.9
84.02166	1.1
85.02953	35.2
86.03297	0.8
93.03465	65.7
94.03819	1.6
99.00890	8.6
99.04534	8.1
101.02416	0.8
109.02979	1.6
111.00902	1.0
111.04532	25.4
112.04877	1.4
129.01962	4.4
131.08292	6.8
134.03773	0.9
137.02467	19.8
138.93832	0.9
141.94186	0.7
143.03491	5.4
147.02992	2.4
155.03535	12.1
172.51393	0.7
173.04567	100.0
173.10472	6.3
174.04916	3.6
177.88768	0.7
184.54204	0.8
191.01993	6.2
209.03035	4.1
210.93124	1.3
212.22914	0.7
224.05457	0.7
230.88231	0.8
385.05511	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73193	1.0
55.01880	2.7
57.03447	12.9
59.01385	8.0
59.33460	0.9
60.23309	0.8
68.99801	1.6
69.63216	1.9
69.63634	4.5
71.01383	8.1
72.99303	2.9
75.00883	1.7
76.68077	0.9
83.01395	2.8
84.02159	1.5
85.02955	100.0
86.03297	1.4
87.00857	5.9
89.02460	1.5
93.03480	1.6
99.04541	1.1
101.02454	1.2
103.00413	1.4
108.33363	1.0
111.00896	4.9
121.02998	2.1
129.01947	7.2
133.01433	2.3
134.03763	3.7
147.03008	9.6
149.02477	11.2
151.00356	2.2
163.04027	2.5
164.04794	10.5
166.02773	2.6
167.82156	1.0
173.00883	2.3
173.04573	2.4
175.04103	1.0
179.07130	3.8
181.05063	1.5
184.79497	1.0
191.01988	30.1
192.02478	1.1
193.01421	2.1
193.05042	2.3
193.08812	1.3
194.14856	1.0
208.03790	8.2
209.03038	38.4
210.03310	1.7
217.05121	1.0
223.04094	1.1
223.06157	20.8
223.09572	1.9
230.02327	1.0
245.04637	1.4
271.02350	1.6
279.08728	3.1
300.02774	3.2
380.86774	1.0
385.11545	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
57.03179	1.3
57.03449	14.1
59.01387	8.7
69.83664	2.4
71.01383	4.8
72.99319	1.6
75.00869	2.6
78.95916	3.0
83.01408	4.2
84.02177	3.2
85.02957	100.0
85.25673	0.8
86.03307	2.0
87.00900	1.1
89.02469	1.9
92.78672	0.7
96.96970	4.9
103.00396	2.0
111.00899	4.7
115.00373	1.2
129.01950	7.4
133.01419	1.0
134.03728	5.4
143.34718	0.7
147.03006	9.8
149.02437	4.0
149.74348	0.8
164.04802	4.1
173.00919	2.1
175.04004	0.9
175.80168	0.8
179.07130	1.7
191.01987	28.0
192.02299	1.2
193.05080	2.4
208.03792	2.3
209.03029	25.6
210.03313	1.1
223.06163	6.3
361.36453	0.8
385.06897	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.9
57.03448	11.0
59.01376	7.2
64.78180	1.1
71.01396	6.2
71.27705	1.5
71.28050	1.4
72.99311	2.1
73.02952	18.5
74.56889	1.1
74.57359	1.1
75.00877	2.2
78.95911	1.1
81.03468	2.1
83.01408	4.6
83.05035	5.3
84.02187	2.9
85.02959	100.0
86.03289	1.7
93.03470	49.5
96.96989	1.2
99.00888	7.3
99.04548	4.3
103.00402	2.6
109.02976	1.4
111.00900	2.4
111.04533	17.3
129.01935	11.7
131.08264	7.2
133.54420	1.0
133.78345	1.2
134.03745	1.8
137.02473	12.3
137.96240	1.2
143.02538	1.2
143.03572	4.9
147.03015	9.6
155.03500	8.2
173.04562	83.6
173.10443	5.2
174.04933	3.4
176.01697	1.2
184.89079	1.4
191.01994	24.2
192.02316	1.5
193.05150	2.8
209.03061	11.6
231.28424	1.2
246.00142	1.2
385.05560	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.8
57.03452	15.3
59.01386	6.0
68.99830	0.8
70.81434	1.0
71.01380	3.3
72.99304	1.1
75.00874	1.2
83.01382	2.2
84.02184	2.5
85.02958	100.0
86.03291	2.8
87.00882	1.2
89.02446	0.7
101.02501	1.2
103.00380	2.4
111.00900	4.6
113.87962	0.9
115.00359	1.1
129.01964	7.7
134.03767	3.4
147.03020	11.2
149.02534	1.6
171.17961	0.8
173.00897	1.7
191.00240	1.2
191.01996	24.9
193.05115	2.4
208.03824	1.0
209.03058	11.8
223.06184	2.0
253.40489	0.7
397.70248	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91226	1.1
55.01877	1.2
57.03449	12.7
59.01385	10.2
68.99813	1.5
69.19007	2.5
69.19415	6.3
71.01382	10.4
72.99310	3.2
75.00884	3.0
78.95911	17.7
83.01379	2.8
84.02170	2.9
85.02958	100.0
86.03255	2.4
87.00907	1.8
89.02441	2.9
91.93915	1.1
93.03463	2.2
96.96040	2.1
96.96964	27.3
99.00916	1.4
101.02471	1.2
103.00374	2.3
111.00902	4.7
115.00388	1.6
121.02982	5.2
125.02501	1.4
129.01973	6.1
133.01436	3.8
134.03725	6.8
135.04579	1.7
137.02460	2.4
147.02989	9.9
149.02444	39.3
150.02763	2.9
152.01212	1.9
163.03979	2.2
164.04802	33.8
165.05199	1.9
174.01765	2.9
175.04117	1.4
179.07149	12.1
191.01979	34.8
191.03638	2.5
193.01427	5.5
193.05017	2.0
204.95915	1.2
208.03767	12.6
209.03040	51.9
210.03351	1.9
223.06143	51.9
224.06541	2.7
269.69131	1.2
331.42346	1.1
385.11459	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58515	0.6
55.01878	1.7
57.03433	1.9
58.00579	0.9
58.69566	0.6
58.70759	0.5
59.01382	13.7
67.01880	1.3
68.78352	0.6
69.03453	1.5
71.01382	3.3
71.05026	0.8
71.29186	1.1
72.99290	0.8
73.02949	17.7
77.02276	0.6
81.03465	2.4
83.01390	0.7
83.05024	6.1
85.02954	9.2
87.00865	1.4
93.03461	49.5
94.03833	1.3
99.00883	5.4
99.04514	5.0
101.02437	1.1
109.02985	1.5
111.00927	1.1
111.04529	22.9
123.04516	1.2
129.01981	3.3
134.03754	6.2
136.01674	37.4
137.02478	15.3
143.03516	3.2
147.03035	0.9
149.02422	0.7
149.06088	1.9
150.03238	0.9
151.04018	67.2
152.04330	3.1
155.03523	11.1
156.03937	0.6
173.04562	100.0
174.04918	4.1
182.06984	0.6
191.02000	0.9
191.05647	3.8
211.06131	53.0
212.06477	3.4
349.05984	0.7
385.05466	5.0
385.11462	2.5
386.05887	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1143
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01381	4.6
59.12554	0.7
61.98832	9.6
67.42828	0.7
69.16480	5.0
69.16901	1.9
71.01385	3.4
83.01402	0.8
85.02954	7.9
89.02444	1.6
91.01908	0.7
93.03469	1.8
108.60570	0.8
119.01404	1.2
119.03571	1.0
121.02961	9.1
135.04572	2.6
147.00897	1.3
147.02914	0.9
149.02460	43.5
150.02824	2.2
152.01172	6.2
153.40648	0.7
161.02478	1.2
163.04051	5.5
164.04814	33.6
165.01915	2.8
165.05157	1.2
167.03522	1.1
169.05069	3.1
173.00963	1.0
175.00371	9.6
179.07152	11.8
180.07423	0.7
190.02750	20.0
191.01857	5.0
191.03496	0.9
193.01445	18.0
194.01901	0.8
195.03433	0.6
205.05083	29.9
206.05450	2.5
208.03793	40.0
209.04124	2.0
223.06146	100.0
224.06494	7.4
247.06175	1.7
265.07175	1.4
296.06711	0.8
385.11438	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1141
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
57.03448	5.2
57.08249	0.8
58.79312	0.7
59.01380	3.1
65.73834	0.8
71.01379	3.4
75.00894	0.9
78.80884	0.7
83.01392	1.5
84.02194	1.2
85.02954	35.1
87.00899	0.8
89.02449	1.0
93.03486	0.9
95.01514	0.8
96.96992	1.3
98.21793	1.9
99.33861	0.8
103.00381	1.2
111.00895	4.9
121.02959	11.7
129.01929	3.9
133.01476	1.7
134.03745	2.7
135.04570	1.4
137.02505	1.0
147.02994	3.1
149.02451	80.7
150.02794	4.0
152.01201	4.7
163.04004	4.4
164.04802	76.8
165.02010	1.3
165.05115	3.7
169.05049	1.5
179.07155	27.0
180.07503	0.8
191.02025	10.5
191.03683	1.3
193.01443	8.0
205.03523	1.7
208.03773	26.8
209.02994	15.4
223.06174	100.0
224.06517	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1145
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
54.00100	0.5
57.03454	9.1
57.09402	0.5
58.03804	0.5
59.01383	52.1
59.29742	0.4
60.01704	0.8
61.98801	0.6
69.39236	2.0
70.31622	0.4
71.01379	4.3
73.02969	0.7
78.95875	0.6
85.02959	3.8
89.02461	1.3
93.03468	2.1
96.96965	0.6
99.00888	0.7
100.00426	0.4
101.02442	2.4
108.97691	0.4
109.03010	0.5
113.02471	1.5
121.02969	7.8
135.04517	3.4
137.02425	1.3
149.02452	46.9
150.02791	2.8
151.04041	0.9
152.01186	7.7
159.03047	0.8
161.04585	2.9
163.04041	6.0
163.07658	17.1
164.04810	35.6
164.07878	1.5
165.01973	2.9
165.05165	1.8
167.03490	2.0
169.05110	4.0
179.05704	0.9
179.07150	11.7
180.07516	0.8
190.02686	0.6
193.01424	22.8
194.01883	0.9
205.04964	0.6
208.03783	45.9
209.04077	2.0
223.06133	100.0
223.24409	0.5
224.06514	5.8
241.59410	0.5
265.07117	0.6
385.11200	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84026	1.1
54.04006	1.1
59.01381	17.9
59.98258	1.1
61.48552	1.0
62.44904	1.1
62.47380	1.0
62.81804	0.9
63.06659	1.0
67.21543	1.0
69.49129	6.7
69.53718	1.1
71.01386	1.7
85.02932	4.4
87.00846	1.5
93.03468	9.1
108.02237	1.2
111.04518	3.8
121.02962	3.7
134.03761	7.8
135.04514	1.3
136.01671	56.1
137.02122	1.8
149.02464	27.9
149.06055	2.1
151.04018	100.0
152.01163	1.4
152.04347	4.1
155.03520	4.3
164.03456	2.2
164.04787	23.2
165.05109	1.3
167.03711	1.1
167.82144	1.2
173.04559	26.5
179.07150	7.1
185.82216	1.1
191.05650	6.4
193.01440	2.1
208.03738	9.5
211.06126	76.7
212.06485	3.0
223.06129	32.0
224.06548	2.0
385.11414	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01979	3.7
50.67364	3.6
51.00829	3.8
57.03436	10.4
59.01375	10.6
69.10452	24.9
69.10863	11.1
71.01381	9.6
78.85185	4.0
81.03467	10.1
83.01393	9.1
85.02968	7.6
89.02451	5.5
95.05045	4.1
97.02969	10.0
99.04536	6.1
109.02953	6.2
113.02460	11.2
121.02948	7.3
122.03768	9.0
123.04530	6.2
125.02470	82.3
129.13593	3.6
135.04565	4.6
135.11859	4.2
137.02455	100.0
146.03781	20.1
149.06116	4.8
151.04004	7.8
159.04529	7.8
164.01180	32.9
165.00555	4.5
165.01942	76.4
167.03520	29.8
173.06056	16.6
174.03223	12.8
174.06868	8.8
175.04008	4.9
175.07645	41.0
176.04805	7.2
177.01942	14.6
177.12921	4.1
179.03571	25.2
179.10767	17.4
187.03906	4.2
187.07617	9.0
187.13332	9.2
188.04802	4.4
189.09251	6.2
200.04900	7.6
201.05406	4.7
201.09280	6.8
202.06345	4.7
203.07112	18.3
204.04243	5.3
205.08739	12.2
211.04175	4.3
217.08685	16.5
226.06252	4.5
229.08728	38.9
241.08781	7.6
247.09787	6.5
255.09982	4.6
268.07471	5.4
281.11813	11.2
283.09763	9.0
297.11380	6.8
299.12967	10.8
301.10696	4.2
323.12903	29.9
341.13940	7.7
367.11871	75.3
368.12207	10.6
385.12933	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15038	2.1
53.13028	2.2
54.62970	2.3
57.03441	11.0
59.01381	15.1
69.03468	2.4
71.01394	11.1
81.03477	8.4
83.01391	10.1
85.02954	2.8
89.02473	8.8
93.03471	3.5
95.01443	4.0
95.05047	7.4
97.02975	8.7
97.35209	2.4
99.04572	5.8
101.02460	4.7
109.02979	6.0
113.02455	6.4
119.03530	4.6
120.02109	2.8
121.02926	4.3
122.03759	6.7
123.04552	3.6
125.02459	72.8
135.04514	5.7
135.11836	8.2
137.02460	100.0
138.02820	3.6
139.04039	3.1
146.03745	18.8
146.07137	2.5
150.03299	2.8
151.04030	4.9
157.06699	2.4
159.04541	7.7
159.11925	2.5
161.09770	15.6
164.01173	26.5
165.01942	74.0
166.02313	2.9
167.03494	34.5
172.05342	2.6
173.06093	15.7
174.03227	10.0
174.06845	6.8
174.97237	2.4
175.04025	4.1
175.07651	37.2
176.04839	6.7
177.01990	14.7
179.03485	19.4
179.10786	41.9
187.04037	2.9
187.07622	10.3
189.09204	5.4
190.02751	5.1
191.03568	3.8
199.07657	3.3
199.53020	2.3
200.04790	7.3
201.05527	5.9
201.09258	7.8
202.06334	5.2
203.07129	17.1
203.10783	4.7
204.04263	4.4
204.07661	3.0
205.08641	10.2
213.09174	2.4
216.07910	4.0
217.08728	15.2
223.09727	19.9
225.05670	6.5
229.08711	35.1
230.08876	5.1
239.07086	5.8
239.10835	4.1
241.08626	5.7
244.07428	4.2
247.09799	9.7
248.54498	2.4
255.10164	3.0
257.11856	3.3
273.11334	3.4
279.10153	3.0
281.11978	9.9
283.09756	4.6
294.08786	3.7
297.11325	6.8
299.12982	9.0
323.12857	29.0
341.10339	3.6
341.13937	3.2
367.11871	63.8
368.12250	10.5
385.12888	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86283	2.9
52.39646	3.2
57.03441	4.7
59.01372	10.2
68.50092	2.6
69.14191	13.6
69.14630	14.8
71.01382	7.8
78.80146	3.2
81.03470	8.6
83.01392	10.9
85.02929	3.9
89.02461	6.1
93.03506	4.4
97.02966	7.5
99.04549	5.6
101.02466	3.5
107.05008	3.1
109.02953	8.5
113.02444	3.9
114.73447	3.0
121.02977	6.2
122.03751	7.8
123.04536	4.9
125.02449	56.7
135.11772	4.5
137.02457	100.0
138.02768	4.0
146.03764	14.7
147.47231	2.9
149.06221	4.1
150.03253	6.3
151.03995	10.3
159.04512	4.2
161.09717	3.9
164.01180	22.5
165.01939	93.4
166.02449	4.6
167.03517	32.1
172.05386	5.6
173.06041	8.3
174.03265	7.7
175.03883	4.9
175.07664	29.0
176.04785	6.2
177.01892	9.5
177.09279	4.1
179.03519	29.0
179.10773	20.6
187.04022	6.0
187.07697	9.8
188.04776	5.6
189.09203	3.4
190.02605	3.2
191.03616	4.0
200.04770	5.0
201.05571	6.0
201.09203	9.8
203.07138	12.7
203.10838	3.2
204.04323	4.1
205.08734	9.4
215.07150	3.5
217.08652	16.0
223.09740	12.4
229.08701	22.9
239.07094	3.5
241.08778	4.2
247.09755	12.0
255.10222	4.1
265.10828	5.8
281.11777	11.3
283.09842	4.9
288.06464	6.3
297.10919	3.9
323.12723	17.4
341.10071	3.7
367.11865	62.8
368.12201	6.3
385.13004	41.2
386.13303	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97467	3.5
57.03448	12.2
59.01385	41.4
64.27793	3.8
69.03477	5.2
69.38855	7.0
69.39253	25.2
71.01392	28.3
73.02928	8.5
81.03458	9.2
83.01392	9.9
85.02960	13.8
87.00849	4.9
87.95714	3.8
89.02437	20.4
93.03486	4.4
95.01411	4.7
97.02980	8.8
98.22535	6.4
101.02452	11.9
109.02915	5.5
113.02475	17.2
119.03493	10.8
121.02988	5.2
122.03772	3.8
125.02458	47.9
126.02792	5.1
135.04517	4.2
135.11797	19.2
137.02457	76.4
146.03723	17.3
146.15005	3.6
150.03177	7.4
159.04570	4.9
161.06183	4.8
161.09738	24.3
164.01187	17.4
165.01933	47.2
167.03528	25.9
174.03224	4.9
175.07593	24.2
177.09178	4.5
179.03552	25.2
179.10780	100.0
180.11151	4.1
187.07701	7.1
198.38811	3.7
201.09125	8.2
203.07108	13.5
203.10767	11.7
205.08684	6.2
216.07776	4.0
217.08713	8.5
223.09779	69.7
224.10204	4.1
229.08704	19.1
247.09743	11.7
255.10356	4.5
299.13074	3.6
323.12973	14.5
367.11768	32.6
385.12909	32.4
385.22253	5.7
386.13318	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
57.03447	2.3
59.01390	18.3
69.17413	2.1
69.17812	6.5
71.01402	13.0
73.02946	5.1
83.01405	4.1
85.02937	7.1
86.00107	1.3
87.00839	1.5
89.02475	5.6
97.02953	1.8
98.21727	2.2
101.02449	10.6
107.95552	1.3
109.02998	2.2
111.04510	1.4
113.02471	9.4
113.55435	1.1
113.70293	1.1
117.75729	1.1
119.85833	1.1
121.02982	3.7
122.03782	1.5
125.02461	6.8
125.06072	2.4
133.10182	2.1
135.11826	18.4
137.02458	10.7
140.07474	1.1
146.03792	1.3
146.07352	1.4
149.06087	4.0
150.03288	1.5
159.08179	2.3
159.11780	1.8
161.04636	1.3
161.09727	10.5
164.01161	2.3
165.01894	6.7
167.03517	3.5
174.03230	1.4
175.07640	4.1
177.12848	3.4
179.03557	2.6
179.10789	100.0
180.11137	6.6
180.58690	1.4
187.09467	1.2
203.07158	2.8
203.10789	5.1
205.08678	3.7
208.11070	8.0
209.11398	1.7
221.11873	2.2
223.09775	60.7
223.13161	10.5
224.10162	4.3
229.08696	2.5
242.66821	1.4
251.42812	1.2
253.21129	1.5
265.10800	4.8
282.42392	1.3
304.22427	1.2
311.40277	1.3
323.12769	1.4
367.11829	5.2
385.13409	4.3
385.18683	29.1
386.18948	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33651	2.7
52.85549	2.6
57.03454	6.2
59.01379	26.8
69.17287	9.3
69.17698	11.3
71.01387	15.2
81.03465	4.4
83.01393	8.8
85.02953	5.6
89.02452	11.4
93.03473	3.5
95.01401	4.2
95.05038	3.2
96.43636	2.4
97.02953	5.5
99.04521	3.6
101.02431	4.5
109.02966	4.7
113.02463	12.6
119.03534	5.3
121.02950	3.6
123.04539	3.0
125.02457	43.5
125.06035	3.0
133.10271	3.5
135.04488	2.7
135.11830	23.8
137.02464	56.5
138.19574	2.8
140.30830	2.9
146.03770	11.4
152.46951	2.6
157.44228	3.2
159.04424	3.8
159.11784	4.6
161.06296	2.9
161.09749	17.4
164.01192	19.4
165.01920	46.8
166.02313	3.8
167.03494	19.4
173.06114	8.7
174.03200	8.3
174.06848	5.6
175.07648	26.9
176.04810	5.6
177.01955	6.0
177.12885	3.3
179.03571	11.3
179.10786	100.0
180.11130	6.6
187.07674	5.5
188.04788	2.8
189.09152	3.7
190.02753	2.9
200.04799	3.6
201.09372	3.0
202.06371	4.8
203.07130	5.9
203.10739	12.8
205.08736	6.5
211.72452	3.2
217.08670	6.6
221.11897	4.7
223.09770	43.3
225.05595	3.4
226.06210	2.6
229.08693	22.4
241.08589	4.2
247.09749	7.5
255.10031	2.5
257.11688	3.2
264.67349	2.5
265.10840	4.5
268.07382	3.3
281.11893	7.3
299.12915	5.0
323.13049	19.2
349.10693	3.2
367.11832	37.1
368.12405	6.7
385.12823	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	26.7
59.50814	3.2
59.76772	2.7
60.04044	2.9
65.07542	2.7
69.03456	3.0
69.10958	22.6
70.19547	2.9
71.01382	23.1
71.57715	3.4
73.02950	4.8
85.02964	8.8
89.02457	15.0
95.01386	6.1
97.02994	2.7
98.21793	6.4
99.04476	2.9
101.02461	15.3
109.06581	2.9
111.04569	3.4
113.02480	20.4
115.54995	3.3
119.03485	3.9
125.02442	9.1
125.06084	3.5
135.11798	20.5
137.02448	13.9
146.03716	5.8
161.04626	5.0
161.09680	9.3
164.01123	4.2
165.01929	10.5
167.03473	5.7
175.07625	7.0
179.10800	100.0
180.11148	7.3
201.09344	4.0
203.10751	3.2
205.08554	4.3
221.11874	3.1
223.09804	42.8
229.08669	3.6
265.11023	6.7
310.74353	2.9
367.11694	7.6
385.12888	5.8
406.07498	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	20.9
63.50679	1.8
65.27207	1.7
69.34173	13.9
71.01384	16.5
83.05016	1.6
85.02959	4.8
89.02448	13.0
95.01421	2.9
97.19065	1.6
101.02452	8.2
113.02452	13.0
119.03531	4.8
133.10229	3.4
135.11807	16.8
146.07298	2.3
159.08232	2.9
159.11794	2.5
161.04506	2.4
161.09718	23.6
162.10107	1.9
179.10788	100.0
180.11128	6.9
201.49626	1.7
203.10776	8.6
221.11897	4.1
223.09779	36.9
224.10130	2.9
232.22357	1.7
265.10956	3.7
276.58838	1.8
277.25198	1.8
397.74573	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.1
59.01381	37.9
66.78815	1.9
69.05807	1.7
69.06116	8.7
69.06532	12.8
71.01394	22.6
73.02969	4.0
85.02955	10.2
89.02440	15.5
92.71542	1.9
95.01379	4.2
98.22498	3.3
101.02470	9.8
105.13963	2.2
113.02470	11.3
116.45250	1.9
119.03513	6.4
120.05814	3.8
125.02435	3.9
125.06142	2.3
133.10222	4.4
135.11838	18.8
136.12196	2.6
137.02440	3.5
146.03674	2.5
146.07390	2.7
159.08130	5.6
159.11768	3.8
161.04578	2.1
161.09724	22.6
165.01872	3.4
177.12724	2.2
179.10789	100.0
180.11150	4.1
203.10773	9.0
221.11739	3.5
223.09781	44.9
328.66537	2.0
365.69693	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95422	1.2
57.03444	3.6
58.00594	2.1
59.01384	52.0
62.31855	1.3
63.39200	1.4
71.01029	2.3
71.01392	29.6
72.99309	2.9
73.02948	4.0
83.01392	3.0
85.02950	8.7
87.00900	2.2
89.02454	25.2
95.01419	2.3
97.02942	1.7
98.21724	3.6
99.00911	1.5
99.04536	2.8
101.02457	13.8
109.71846	1.3
113.02460	17.4
113.06081	1.4
119.03538	9.8
120.05813	2.5
125.02479	3.5
125.06109	2.0
133.10228	2.4
134.83405	1.3
135.04495	1.8
135.11809	17.8
137.02475	3.4
143.03529	2.1
143.77261	1.3
146.07404	2.8
159.08105	2.8
159.11862	3.3
161.04611	2.5
161.09712	25.3
163.11331	1.7
164.59712	1.5
165.09209	9.3
167.03575	2.3
175.07664	1.8
179.05618	3.2
179.10789	100.0
180.11118	4.4
187.11238	2.0
189.70428	1.4
193.12402	1.8
203.10803	10.3
205.12343	1.6
208.33179	1.4
221.11888	3.2
223.09769	55.6
223.13177	2.5
224.10120	4.4
233.11784	1.5
250.47343	1.4
265.10822	3.9
385.14218	1.7
385.18753	1.9
408.42136	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73364	2.1
56.38499	1.9
57.03460	13.4
57.18066	1.9
59.01376	13.6
68.99762	2.0
71.01382	8.9
71.27353	3.3
78.95916	6.4
84.02158	2.3
85.02959	100.0
86.03292	2.3
87.00890	2.8
89.01941	2.0
89.02457	8.6
96.96976	7.9
101.02441	3.4
111.00886	4.6
125.02478	3.6
129.01973	10.6
130.08783	2.4
137.02454	4.1
147.03018	11.1
149.02457	7.8
156.28348	2.2
160.05225	2.3
164.04785	8.2
175.07669	5.5
177.01826	2.9
191.02023	27.7
193.01393	3.5
193.05022	3.9
208.03793	6.2
209.02963	16.0
223.06203	16.3
319.27338	2.3
385.11469	4.9
385.16141	3.8
385.25659	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.7
59.01375	9.3
61.98838	6.7
69.14434	16.8
69.14864	10.0
71.01387	7.3
72.66695	3.1
85.02959	30.7
89.02487	4.6
93.03466	5.2
121.02964	9.5
129.01973	4.7
133.31053	3.5
135.04558	4.7
147.03000	2.8
149.02444	49.1
152.01173	5.6
163.03995	7.9
164.04823	28.2
165.01866	3.1
175.00371	6.9
179.07127	10.1
190.02766	13.5
191.01965	12.7
193.01440	22.4
205.05167	21.6
206.05444	3.1
208.03799	41.4
208.67732	2.8
223.06215	100.0
224.06497	5.9
253.18596	3.0
325.09219	3.0
341.06418	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1658
Annotation	(+)-Gomisin M2
Peak:m/z	Relative Intensity
50.27145	0.7
51.04116	0.6
65.12559	0.7
68.69802	0.6
69.53160	3.9
71.60287	0.7
79.06628	0.6
98.22421	1.0
120.13164	0.7
171.79388	0.6
209.23326	0.7
210.06934	0.8
211.07430	0.9
213.01883	2.0
225.01674	0.7
225.05594	0.7
225.09167	2.8
226.06210	0.8
227.03441	0.9
227.06981	0.7
237.09120	4.4
238.06308	1.2
239.03445	1.1
239.07170	1.5
240.07716	0.9
241.08701	5.9
251.03188	0.7
253.08740	8.5
254.05789	2.3
254.09100	1.2
255.02977	2.9
255.06464	1.1
255.10193	1.1
256.03650	0.9
256.10931	2.1
265.05011	0.8
265.08716	2.2
266.05850	2.2
268.03741	1.4
268.10992	3.1
269.00699	1.2
269.05219	1.6
269.08194	26.6
270.05304	1.7
270.08514	2.7
271.13434	0.7
279.06525	1.9
279.09756	0.8
280.07376	1.8
281.08203	66.8
282.05212	2.4
282.08524	7.7
283.02457	1.5
283.05597	0.8
284.10568	12.6
285.10977	1.3
293.04712	1.2
293.08176	2.5
294.09073	1.3
295.06339	1.2
295.09674	6.5
296.10516	39.1
297.04279	1.4
297.07651	16.5
297.10938	4.7
298.07941	2.2
299.12903	14.2
300.13272	2.4
307.06210	1.3
307.09668	2.0
308.07010	13.9
308.10474	2.1
309.07693	26.3
309.10938	0.9
309.16516	0.7
310.04984	1.0
310.08118	5.4
311.09329	1.7
311.12878	19.2
312.09979	8.4
312.13339	2.3
313.10541	1.1
322.08447	2.2
323.09265	11.9
324.10001	16.8
325.07190	23.9
325.10651	4.4
326.07413	2.4
327.08511	1.4
327.12384	28.8
328.12631	3.2
337.10623	1.2
338.11621	11.4
339.08994	1.4
339.12357	37.4
340.09451	11.1
340.12927	4.4
341.10040	1.3
341.24921	1.2
353.13846	6.7
354.14578	3.3
355.11874	100.0
356.12222	11.3
369.13293	1.3
370.14227	81.6
371.14584	11.3
385.16583	89.6
385.24286	2.4
386.16934	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37286	0.4
56.59849	0.4
66.63811	0.6
68.02332	0.4
69.54980	2.0
78.26172	0.4
88.97333	0.4
94.38775	0.9
123.00930	0.6
136.01733	0.6
137.02466	0.8
138.03258	2.8
153.05573	2.0
159.04538	1.6
160.05301	4.0
173.06096	1.9
174.03294	2.4
174.06821	3.1
175.03967	1.2
175.07651	10.5
187.04005	3.2
188.04739	0.6
189.05560	2.9
201.05511	2.2
202.06372	8.6
203.06796	1.0
241.08653	1.1
253.08661	1.3
267.06552	0.6
269.08243	3.5
279.06750	1.1
281.08176	1.7
282.08527	0.6
283.09531	0.5
284.10410	0.6
294.09030	0.8
296.10641	0.8
297.07715	12.8
297.10983	0.7
298.08054	1.1
307.06085	0.5
308.06943	0.5
309.07678	1.1
310.04861	0.7
311.09167	1.8
312.10062	11.0
313.10403	0.9
325.07169	8.4
325.10666	1.1
326.11429	0.7
327.12390	6.1
328.12805	0.7
339.08749	0.9
340.09518	14.6
341.09930	1.0
342.14566	3.2
351.12350	0.6
355.11862	30.7
356.12360	3.1
369.13422	1.4
370.14221	61.2
371.14542	8.7
385.16577	100.0
386.16983	13.1
387.13937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.8
57.03449	4.4
58.00581	2.7
58.07172	0.6
59.01381	66.7
60.01728	0.6
71.01385	66.5
72.01720	0.8
72.99310	2.2
73.02948	10.5
75.00863	1.0
83.01391	5.0
83.05055	0.9
85.02953	22.4
86.03340	0.7
87.00896	2.4
89.02452	34.5
95.01395	4.4
95.05033	2.3
97.02955	5.3
98.22520	2.4
99.00894	5.7
101.02448	32.7
102.02785	0.7
105.07071	1.3
108.05832	2.7
109.06635	1.2
111.04524	1.2
113.02456	26.2
113.06078	3.7
114.02780	0.8
119.03503	10.6
120.61854	0.6
121.06640	0.8
122.03772	2.1
123.08172	3.9
125.02406	0.9
125.06068	3.4
129.01924	0.9
131.03532	0.8
136.05293	4.5
137.06061	1.9
138.06880	21.8
139.07680	9.8
143.03537	3.1
147.08131	0.8
151.07655	25.1
152.04794	1.8
152.08444	44.6
153.09222	100.0
154.09535	5.7
154.96965	0.6
159.02959	3.7
161.04570	14.6
161.09789	0.7
163.07799	0.9
163.11305	3.9
165.09224	2.1
167.07089	1.8
168.78131	0.8
179.05653	2.1
179.10860	0.8
183.69521	0.7
187.11240	1.0
189.09204	1.5
190.09967	1.6
205.12340	30.6
206.12769	1.8
223.13379	13.2
224.13748	1.3
385.18729	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	7.2
58.00592	4.4
59.01381	100.0
65.08836	2.4
69.04767	10.7
69.05188	8.7
71.01389	91.2
72.99292	7.3
73.02954	13.7
74.03735	2.2
78.88170	2.5
80.96587	2.2
83.01373	7.9
85.02952	31.6
87.00893	13.8
89.02451	79.9
95.01397	5.8
98.21878	4.4
99.00896	3.6
101.02452	55.9
111.00887	3.9
113.02451	36.5
119.03516	38.8
120.99641	2.5
131.03506	4.0
143.03482	6.5
149.04613	2.9
161.04596	11.7
161.09724	7.4
169.09288	2.4
175.07599	2.6
179.05664	5.7
187.11287	29.6
189.09264	3.5
190.09966	5.0
204.11568	8.2
205.12354	30.0
206.12561	2.9
223.06125	2.7
233.11844	16.0
277.14432	9.0
290.25775	2.5
385.14563	3.2
385.18881	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03447	4.4
57.25826	0.4
57.70266	0.4
58.00585	1.0
59.01384	23.5
59.53534	0.5
61.98838	2.5
69.27040	2.8
70.51483	0.5
71.01386	57.5
71.05022	1.4
72.01712	0.7
72.99306	0.9
73.02941	1.6
81.03449	0.5
83.01395	2.1
83.04998	0.9
83.81633	0.5
85.02956	7.0
87.00864	0.9
89.02453	11.1
92.95742	0.5
95.01431	1.2
95.08690	1.3
99.00926	0.6
99.04540	1.3
101.02452	8.8
103.04021	62.7
104.04372	0.7
108.72464	0.5
113.02451	7.1
119.03488	4.2
120.39281	0.5
120.99699	0.6
121.06603	16.3
122.06952	0.7
125.02430	0.5
137.09734	100.0
138.10085	5.1
139.07692	0.7
157.05075	24.6
158.05418	0.9
161.04601	1.0
161.09732	0.7
176.08434	1.2
177.12846	1.1
179.10783	5.5
190.74881	0.5
195.13919	0.7
205.12381	1.6
223.09854	4.8
223.13405	9.2
224.13618	0.6
230.87338	0.5
247.08224	10.2
248.08609	0.6
248.15573	0.5
265.10837	1.1
308.87228	0.5
385.18665	8.4
385.23090	0.8
386.19189	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.187
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
55.01887	5.2
57.03435	4.1
59.01095	1.7
59.01379	28.6
67.50642	0.8
69.09692	7.8
69.10075	1.4
71.01388	27.1
72.99306	1.5
73.02945	12.0
75.00862	1.6
75.51553	0.9
83.01385	6.5
85.02956	17.5
86.00122	1.1
87.00883	4.2
89.02453	4.6
93.03459	0.9
94.07872	0.9
95.01402	2.1
95.05068	1.3
97.02967	1.3
98.21784	1.4
99.00909	4.8
101.02444	23.7
111.00854	2.1
113.02461	11.7
119.03497	1.4
121.02962	14.4
122.03748	1.8
125.02408	2.8
135.04494	0.9
135.11806	3.2
137.02463	6.6
146.03905	0.8
149.06076	16.0
159.02937	1.7
161.04530	2.8
161.09744	4.4
164.01056	1.7
165.01913	3.8
175.07581	1.0
179.03427	2.0
179.10780	20.2
180.11185	1.3
203.10869	1.3
208.11046	34.7
209.11700	6.1
223.09964	9.6
223.13390	45.0
224.13734	3.4
296.20895	0.9
331.19653	1.0
367.11761	1.2
385.18658	100.0
386.19046	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93871	4.1
61.98832	100.0
71.32216	4.3
83.16447	3.9
92.05772	3.7
104.38605	3.3
112.86560	3.7
125.02434	7.0
128.62526	3.9
137.02492	9.9
165.01973	5.1
177.10713	3.8
385.16754	5.2
385.26282	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05916	2.8
59.01385	43.6
71.30492	3.4
114.40139	2.9
155.08691	31.5
183.01147	3.2
183.30608	3.3
185.11853	53.7
186.12154	4.3
199.07663	100.0
200.07974	9.6
215.82832	3.0
276.02753	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2386
Annotation	12alpha-Hydroxy-3-oxochola-4,6-dienoate
Peak:m/z	Relative Intensity
54.76086	0.5
57.03186	0.7
57.03453	11.4
59.98502	0.5
60.03869	0.4
60.49554	0.4
62.12243	0.5
69.03455	2.8
69.39838	3.1
69.73987	0.5
71.05029	2.6
72.48774	0.4
81.03458	0.7
83.05035	3.2
83.59249	0.4
95.05016	0.7
97.06603	8.4
98.22496	1.0
99.04531	8.7
106.07425	0.4
109.06586	2.2
117.71126	0.4
121.06632	0.6
123.08186	4.3
124.34982	0.5
125.06068	1.0
134.76869	0.5
137.99005	0.4
138.06909	2.7
139.07626	1.1
141.09238	8.6
147.08180	0.6
147.54224	0.5
159.08153	0.9
161.09746	1.1
177.76598	0.5
179.10818	2.0
222.71484	0.4
229.12325	0.9
229.15932	0.7
231.13895	1.1
243.17500	0.5
247.17101	3.4
255.17488	2.8
263.43237	0.5
271.20642	2.8
272.21472	0.5
283.20630	1.8
285.18701	1.1
297.22327	1.5
311.22290	1.0
323.23871	2.5
325.21817	1.6
341.24881	40.2
342.25226	5.7
367.22858	3.5
385.23877	100.0
386.24203	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2387
Annotation	12alpha-Hydroxy-3-oxochola-4,6-dienoate
Peak:m/z	Relative Intensity
50.08950	0.8
56.43840	0.9
57.03457	12.2
59.01383	0.7
59.98533	1.3
62.48329	0.7
66.91686	0.8
69.03448	1.6
71.05010	2.8
73.02904	0.9
73.95573	0.8
77.94014	0.6
79.95729	0.7
83.05009	3.2
85.02940	0.7
86.18499	0.6
87.95911	0.7
94.77478	0.7
95.05014	0.9
96.96016	1.0
97.06606	10.0
97.93616	0.7
99.04522	10.1
107.05051	0.7
109.06596	1.1
111.54904	0.7
121.06594	1.0
123.08171	6.4
125.06049	1.7
138.06862	3.3
139.07645	0.9
141.09224	9.5
142.97217	0.7
151.07703	0.8
161.09708	1.5
179.10753	3.0
231.13873	1.0
243.17697	0.9
247.17047	4.0
249.22208	1.4
255.17630	4.0
269.08414	0.7
271.20706	3.3
283.20700	2.0
297.22241	1.4
311.22305	1.5
323.23965	2.1
325.21823	1.3
339.23422	0.9
341.24866	51.1
342.25214	7.7
367.22751	2.9
385.23865	100.0
386.24207	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2388
Annotation	Gerronemin A
Peak:m/z	Relative Intensity
68.42039	3.5
71.30925	4.2
71.31253	3.7
81.03463	14.2
125.02484	5.7
128.93703	3.3
132.18394	3.7
142.45842	3.4
159.40475	4.1
341.24841	20.5
350.75580	3.7
385.23853	100.0
386.24100	15.2
387.08273	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2601
Annotation	6-Deoxyerythronolide B
Peak:m/z	Relative Intensity
59.01363	1.1
61.34451	0.7
68.29637	0.7
70.80073	0.7
71.31841	1.4
71.48930	0.7
73.02927	1.6
84.24484	0.7
85.02959	0.9
85.76945	0.7
87.04479	1.1
103.06566	0.8
104.81725	0.7
109.92476	0.7
137.02426	1.2
153.12874	0.8
165.01840	1.1
169.12337	4.3
171.10219	1.9
185.11853	2.1
201.11263	1.0
215.12900	1.2
267.19717	5.8
287.23807	1.3
293.17593	4.4
296.71625	0.8
305.24820	3.5
321.24527	0.8
323.25989	5.8
331.22794	2.1
339.25369	1.7
341.26996	13.9
342.27493	2.1
349.23849	3.1
367.24963	8.3
385.25995	100.0
386.26328	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92896	8.9
59.01385	31.4
61.51887	9.6
61.98830	100.0
68.18892	9.6
70.64970	24.7
79.17816	9.6
81.93769	10.4
90.37437	8.3
103.41713	9.3
106.57484	9.2
227.03551	10.5
361.59369	10.3
387.18137	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	1.1
55.00139	1.1
57.03442	1.9
59.01395	5.7
65.94972	1.0
70.12556	2.7
70.12910	1.7
71.01389	2.0
78.95911	60.9
81.03477	1.4
83.01402	6.9
83.85564	1.1
85.02988	1.6
89.02425	1.2
93.03450	1.6
96.96968	100.0
97.02924	1.6
97.07452	1.2
98.22429	1.8
109.02967	5.3
121.75092	1.1
123.04494	1.3
125.02446	11.1
137.02466	17.7
139.04044	2.0
145.02895	1.2
149.02467	1.2
150.03226	4.7
151.04037	1.3
164.98674	2.3
165.05576	6.8
167.03610	1.7
183.59016	1.2
196.97668	2.0
203.07312	1.5
206.99731	6.7
221.98466	3.1
224.97150	1.5
225.07809	1.9
237.00819	4.2
238.98706	5.2
245.08194	1.8
246.99295	1.3
249.00806	19.0
252.96643	3.7
253.00256	1.5
257.01331	1.3
259.53540	1.1
277.03781	1.7
279.98969	1.4
280.99802	3.9
283.02902	2.7
289.07184	10.7
299.13156	1.4
301.03897	6.0
327.01926	5.1
343.05045	6.2
345.02969	4.2
359.00827	8.5
360.01062	1.6
387.04062	19.8
388.04468	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	7.4
59.01384	7.5
61.98838	3.6
66.01492	0.3
69.02116	0.5
69.02525	2.9
71.01387	1.3
81.03463	1.5
83.01394	3.8
85.02966	0.4
89.02456	1.0
95.05030	1.4
96.96043	0.5
97.02947	2.6
99.00852	0.5
101.02453	0.8
104.24449	0.3
112.12924	0.3
113.02459	0.5
119.05031	1.6
119.10397	0.3
121.02995	0.5
125.02457	100.0
126.02801	3.6
135.04581	0.4
137.02492	0.5
137.06099	2.6
139.04042	2.5
149.02457	9.8
149.06076	0.3
151.04008	1.9
158.91603	0.3
161.04514	0.5
163.04013	2.7
163.11282	0.8
165.01915	0.7
165.05588	2.7
166.06267	0.9
167.03526	2.5
179.03485	1.0
181.05072	4.4
185.91592	0.3
187.04034	0.4
205.05008	0.7
207.03044	0.7
207.06496	0.4
225.04146	6.3
225.07686	13.6
226.04390	0.4
226.08073	0.9
249.04146	1.7
267.05176	0.6
287.07718	1.2
313.86087	0.3
387.09296	13.2
387.17032	2.1
388.09644	1.7
395.46002	0.4
411.45367	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.13
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19680	1.6
58.53057	1.6
59.01385	55.4
69.39440	11.5
71.01373	6.8
72.99285	1.8
77.66059	1.8
85.02930	2.2
85.06605	10.8
87.00876	2.5
89.02458	4.0
101.02449	5.0
113.02480	3.0
115.04053	4.6
120.27378	1.6
122.03771	3.0
149.02435	1.7
150.03242	68.0
165.05576	100.0
166.05902	3.5
177.01978	2.0
189.07660	3.7
193.32368	1.7
196.64935	1.8
207.06462	2.7
210.48094	1.6
212.32704	1.8
387.12659	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	7.4
59.01381	52.4
61.98830	4.3
69.61822	5.0
71.01385	26.3
71.01757	2.5
72.99297	2.2
83.01408	6.2
85.02972	5.8
89.02459	23.1
94.76109	1.2
94.80587	1.6
95.05029	3.8
97.02973	2.5
101.02459	13.5
113.02456	9.9
119.03500	11.3
119.05054	1.6
121.02969	1.8
125.02457	100.0
126.02813	3.6
134.03781	1.8
137.06081	2.4
139.04037	1.6
149.02446	10.7
149.06155	1.8
151.04037	3.1
161.04541	1.7
163.04050	3.2
165.05586	4.1
166.06313	1.7
167.03523	2.2
177.01930	36.4
181.05113	4.7
191.03624	2.6
192.04295	50.8
193.04715	3.2
207.06631	95.2
208.06949	6.4
209.04535	1.8
225.04292	7.8
225.07689	26.1
226.07948	1.6
244.92085	1.4
249.03947	2.2
387.08698	12.3
387.13412	8.8
387.17026	3.0
388.09232	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.4
59.01374	1.4
60.80250	1.0
69.28535	3.2
69.28960	3.8
78.28814	0.9
81.03447	3.5
82.51537	0.9
83.01396	4.0
95.05022	3.5
97.02966	8.0
107.03822	1.9
108.02164	1.3
109.02966	24.5
111.92130	0.9
121.02950	5.3
122.03754	1.7
122.06155	5.1
123.00905	1.2
123.04539	17.9
125.02464	18.8
135.04521	2.4
135.08185	1.1
137.02458	11.9
137.09724	1.2
138.02863	1.2
139.04059	4.5
146.03792	2.3
149.02417	4.7
150.03157	1.7
151.04005	10.1
152.07179	11.7
153.63315	0.9
158.02443	1.5
159.04501	2.6
160.05281	2.0
161.02394	1.4
161.06104	4.9
162.03210	2.6
162.05647	1.2
163.03967	1.2
164.01161	3.8
165.01898	6.8
166.02539	1.3
167.03542	2.2
171.10301	1.2
173.06090	1.4
175.03947	2.6
175.07597	2.3
177.05495	1.5
179.03578	7.8
179.07158	3.1
181.12387	1.9
185.05981	1.1
187.04025	7.6
188.04816	5.8
190.05064	5.0
201.05753	1.0
202.06407	2.0
203.03476	1.1
203.07147	16.5
204.07397	1.3
205.05112	12.7
217.08853	1.2
219.06554	1.3
221.08192	3.7
222.07582	4.5
227.07115	2.3
245.08226	22.5
246.08572	1.3
247.06149	2.3
289.07202	100.0
290.07547	8.2
299.12823	1.9
343.11902	11.8
344.12292	1.5
369.13184	1.9
387.14676	45.7
387.23758	21.1
388.14780	6.4
388.24164	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1452
Annotation	Flustramine D
Peak:m/z	Relative Intensity
50.88835	0.6
51.54415	0.6
80.24383	0.6
93.80856	0.6
98.22646	1.5
117.69060	0.6
117.92130	0.6
121.73553	0.6
123.00902	4.1
124.01681	9.8
126.05180	0.7
138.03249	4.8
139.04027	9.3
171.10280	1.0
189.05498	0.7
190.02777	1.1
190.06413	0.7
191.03494	1.8
202.02715	1.6
203.03517	13.0
204.04141	1.0
205.05067	1.6
211.13370	2.1
214.21887	0.7
216.50867	0.7
217.05064	8.4
218.05850	60.7
219.06422	5.0
227.07106	1.8
228.82912	0.7
229.14398	1.5
232.07401	2.2
233.08197	55.8
234.08578	4.3
268.07413	0.8
296.06912	0.8
299.05646	2.3
310.04868	0.8
324.06418	1.3
325.07272	4.6
327.05225	4.4
329.23434	4.1
339.08636	1.4
341.06686	2.1
342.07507	8.2
357.09811	40.6
358.10211	5.0
371.11276	0.9
372.12125	18.2
373.12308	1.8
387.14529	100.0
387.18750	3.8
388.14844	13.1
388.19528	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.4
59.01374	1.4
60.80250	1.0
69.28535	3.2
69.28960	3.8
78.28814	0.9
81.03447	3.5
82.51537	0.9
83.01396	4.0
95.05022	3.5
97.02966	8.0
107.03822	1.9
108.02164	1.3
109.02966	24.5
111.92130	0.9
121.02950	5.3
122.03754	1.7
122.06155	5.1
123.00905	1.2
123.04539	17.9
125.02464	18.8
135.04521	2.4
135.08185	1.1
137.02458	11.9
137.09724	1.2
138.02863	1.2
139.04059	4.5
146.03792	2.3
149.02417	4.7
150.03157	1.7
151.04005	10.1
152.07179	11.7
153.63315	0.9
158.02443	1.5
159.04501	2.6
160.05281	2.0
161.02394	1.4
161.06104	4.9
162.03210	2.6
162.05647	1.2
163.03967	1.2
164.01161	3.8
165.01898	6.8
166.02539	1.3
167.03542	2.2
171.10301	1.2
173.06090	1.4
175.03947	2.6
175.07597	2.3
177.05495	1.5
179.03578	7.8
179.07158	3.1
181.12387	1.9
185.05981	1.1
187.04025	7.6
188.04816	5.8
190.05064	5.0
201.05753	1.0
202.06407	2.0
203.03476	1.1
203.07147	16.5
204.07397	1.3
205.05112	12.7
217.08853	1.2
219.06554	1.3
221.08192	3.7
222.07582	4.5
227.07115	2.3
245.08226	22.5
246.08572	1.3
247.06149	2.3
289.07202	100.0
290.07547	8.2
299.12823	1.9
343.11902	11.8
344.12292	1.5
369.13184	1.9
387.14676	45.7
387.23758	21.1
388.14780	6.4
388.24164	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01723	1.4
69.54502	6.4
71.01390	7.1
73.02969	1.5
85.02950	3.0
89.02475	1.5
92.00699	1.4
92.46639	1.1
98.21869	1.5
101.02448	3.8
113.02472	3.6
160.13235	1.2
161.04622	10.6
165.09218	28.3
188.91188	1.5
192.34872	1.5
197.50926	1.3
215.41084	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17986	1.7
53.67065	1.4
55.01886	1.8
57.03439	1.9
57.76083	1.4
59.01383	100.0
69.37080	3.0
69.37485	8.2
71.01390	42.9
73.02953	30.0
83.01414	7.9
85.02953	13.4
87.00888	1.9
89.02455	13.7
95.01439	2.8
95.04990	1.7
97.02965	1.7
99.00885	4.0
101.02452	31.5
113.02453	16.8
114.36718	1.8
116.24272	1.4
117.37071	1.4
119.03524	7.6
121.10244	14.6
131.03514	1.9
132.19070	1.5
138.63283	1.7
143.03583	2.0
149.04593	2.1
161.04570	14.7
163.11340	4.8
165.09242	3.9
174.28711	1.6
181.12337	12.3
207.10208	2.5
219.01094	1.7
225.11346	48.9
226.11798	3.1
243.09612	1.5
249.11264	3.1
251.11240	1.9
267.12515	2.3
301.16620	5.3
327.14636	5.0
345.15582	4.4
387.16611	18.1
387.23865	3.9
388.17111	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1666
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
53.78449	0.9
58.00600	1.1
59.01379	5.5
69.20883	2.8
69.21302	4.0
71.01377	3.7
73.02957	10.2
85.02961	1.9
88.68978	0.9
89.02437	2.2
95.05035	1.1
101.02392	2.4
113.02444	4.7
129.95695	1.0
148.43147	0.9
148.85771	1.0
161.04585	1.0
161.09821	1.3
163.11314	12.2
181.12360	70.2
182.12669	3.9
207.10242	3.3
223.13412	1.6
225.11333	100.0
226.11746	9.4
249.11365	4.8
267.12305	1.5
387.16837	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33381	0.9
57.03450	1.2
59.01381	5.8
59.25311	0.8
71.01373	5.5
73.02952	11.0
85.02943	4.4
89.02470	1.7
95.01436	0.9
95.05033	1.0
97.06631	1.0
98.21748	2.5
101.02454	3.5
109.06615	1.4
111.08168	1.2
113.02467	7.6
163.11285	8.8
181.12349	100.0
182.12712	7.3
194.31720	1.1
205.12378	1.5
207.10281	2.4
223.13373	2.0
225.11327	65.9
226.11711	4.9
228.85997	1.2
239.13017	1.8
249.11130	1.9
267.12341	10.9
268.12579	1.0
311.10263	1.0
354.81378	1.0
387.16498	1.7
387.23941	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.0
57.03441	1.5
59.01383	100.0
60.01706	2.0
71.01385	37.5
71.29185	1.3
73.02943	8.2
83.01405	3.2
85.02949	14.7
89.02451	9.7
95.01410	2.4
97.02975	2.0
99.00907	4.8
100.22223	1.3
101.02452	19.8
101.17526	1.2
106.92522	1.2
108.02179	6.3
113.02451	17.0
119.03561	3.0
123.04539	3.0
123.08189	1.7
124.05288	1.6
143.03510	2.3
145.90390	1.1
147.08180	1.8
152.01186	8.7
153.09145	1.9
159.02974	4.4
161.04562	36.8
162.04839	1.3
165.09206	6.8
167.03522	14.5
168.03777	1.8
178.87535	1.1
194.77925	1.1
253.71231	1.1
266.99292	1.6
387.13049	3.8
387.20364	2.9
389.02090	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	15.8
68.19145	1.5
69.06788	11.6
71.01376	8.2
73.02949	12.4
85.02961	3.2
89.02480	8.5
95.01426	2.4
95.05027	3.8
97.60633	1.4
101.02449	6.3
105.22117	1.2
107.05054	2.4
109.06631	3.7
113.02454	6.4
115.54668	1.6
119.03524	1.9
121.06625	2.5
123.00962	1.8
137.06116	1.5
138.03181	4.6
147.04556	1.9
147.95972	1.4
148.05328	3.1
149.06096	3.0
150.03249	4.2
151.04041	2.1
152.34448	1.5
153.05573	5.5
159.04517	3.9
160.05301	6.8
161.05969	1.9
162.03249	1.4
163.11313	15.2
165.01964	1.5
165.05626	6.8
165.09204	3.4
174.03200	2.6
175.07741	3.4
177.05573	26.4
178.06245	5.9
179.03502	2.2
180.04242	1.8
181.12357	58.2
182.12743	3.7
187.04016	2.8
188.04794	4.8
191.07152	7.6
192.07913	2.9
203.07135	21.3
206.05867	8.3
207.10205	7.6
210.05420	3.5
221.08224	23.8
224.06938	7.1
225.11346	100.0
226.11687	6.4
249.11240	6.8
267.12357	4.3
336.53656	1.7
339.08640	3.0
354.11087	2.1
369.13385	7.8
387.14462	6.8
387.23889	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48008	0.5
59.01371	0.7
59.12709	0.4
68.18536	0.4
69.24186	0.4
73.58043	0.6
86.51589	0.5
98.22309	2.8
103.65971	0.5
171.03899	0.4
180.22862	0.5
185.05893	0.5
215.10855	0.4
227.03551	2.2
227.10799	2.0
240.07747	0.5
241.08693	1.2
241.12372	1.0
243.10176	1.4
255.10272	9.6
256.10675	0.9
269.11664	1.0
270.12619	10.8
271.09753	7.0
271.13068	2.2
274.05035	0.5
281.08493	0.9
282.08984	0.8
283.09775	53.2
284.10114	5.4
285.14981	2.6
286.12167	8.1
286.15189	0.6
287.12314	0.6
294.05020	0.5
295.09592	1.0
296.10388	1.1
297.11377	10.2
298.12115	31.6
299.09247	7.2
299.12527	2.9
301.14474	9.0
302.11676	1.0
302.14905	0.8
309.07654	1.8
309.11331	2.9
310.08560	11.2
310.11938	1.0
311.09241	20.4
312.09927	3.7
312.13147	0.7
313.10770	2.0
313.14380	12.0
314.11603	4.8
314.14920	1.3
317.14050	1.5
323.12921	0.8
324.10205	3.6
324.13675	0.9
325.10788	11.0
325.14462	1.0
326.11569	14.8
327.08710	4.7
327.12299	3.3
328.09457	0.7
328.13147	2.3
329.13940	20.7
329.23022	0.8
330.11020	1.6
330.14420	1.4
333.81165	0.5
339.12323	3.0
340.13177	8.8
341.13916	17.3
342.11063	3.2
342.14468	1.3
355.15552	8.8
356.15924	0.7
357.13461	51.5
358.13849	5.7
372.15802	48.7
373.16110	6.0
387.18164	100.0
388.18542	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1816
Annotation	Rubrisandrin B
Peak:m/z	Relative Intensity
59.01374	0.8
61.98812	0.9
69.08250	5.5
84.57747	0.5
85.86530	0.7
98.21844	1.5
125.09745	1.1
149.70467	0.6
160.01685	0.8
227.03358	0.9
227.10652	1.5
241.08429	0.7
255.10294	3.6
267.10428	0.7
269.11758	1.6
270.12631	8.5
271.09772	4.6
271.12793	1.0
279.10229	1.7
283.09787	37.5
284.10037	4.1
285.11752	0.9
285.14990	1.7
286.12128	6.6
287.12317	1.0
296.10532	0.7
297.11374	6.8
298.12103	20.3
299.09232	4.5
299.12653	2.1
301.14508	6.5
302.11771	1.0
309.07611	2.0
309.14996	1.7
310.08453	2.8
311.09265	5.1
312.09756	0.9
313.10852	2.5
313.14517	6.0
314.11652	3.9
314.14832	1.1
315.05173	1.5
317.14032	1.5
324.09979	3.8
325.10809	5.0
326.11575	3.2
327.08731	3.2
327.12427	1.7
328.13022	2.1
329.13889	16.1
330.10919	1.5
330.14417	1.9
339.12320	3.0
340.13196	2.0
341.13980	3.6
342.11102	3.2
342.14771	0.9
343.15506	1.3
355.15536	1.9
356.12537	0.8
357.13452	33.8
358.13852	4.5
371.15012	3.4
372.15781	34.1
373.16296	4.6
387.18155	100.0
388.18539	15.5
388.26065	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83401	0.7
54.82416	0.8
61.98831	0.7
64.78313	0.7
81.51381	0.7
98.22543	1.5
150.03067	0.8
157.00031	0.8
158.15756	0.8
171.10333	1.0
191.07236	0.8
227.10664	1.9
241.08434	1.2
243.10225	1.6
244.11163	0.9
247.02357	1.7
255.10304	9.8
270.09509	1.0
270.12589	9.9
271.09808	9.5
271.12677	1.2
272.09891	1.0
281.08148	1.3
283.09775	65.8
284.10150	8.1
285.14978	2.4
286.12088	10.0
287.12317	1.0
295.09756	1.2
296.10403	1.3
297.11331	13.6
298.12091	29.3
299.09256	7.6
299.12448	3.5
301.14429	9.5
309.07715	3.1
309.11398	3.2
310.08511	14.3
310.11887	1.9
311.09192	27.0
311.22467	1.3
312.09885	4.7
313.10648	2.3
313.14462	7.2
314.11563	5.9
317.13992	2.3
324.10007	3.9
325.10779	11.9
326.11450	19.5
327.08765	4.3
327.12045	4.2
328.13141	2.9
329.13953	21.9
330.10919	1.4
330.14276	2.0
339.12405	3.0
340.13129	8.2
341.13858	22.1
342.11078	3.5
342.14481	2.0
355.15616	7.0
356.15842	6.0
357.13443	47.0
358.13754	6.1
372.15796	49.6
373.16141	7.0
387.18140	100.0
388.18561	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41182	0.4
52.19359	0.4
52.37852	0.4
54.21875	0.4
54.24077	0.4
55.01880	4.1
57.03443	4.1
58.00600	4.6
59.01382	100.0
60.01724	1.2
70.70290	1.3
71.01385	83.4
72.01750	1.2
72.99319	3.9
73.02953	10.5
75.00855	1.1
81.03474	1.0
83.01396	6.6
84.02165	0.6
85.02956	21.8
87.00883	5.3
87.04539	0.6
89.02451	68.7
90.02788	1.3
93.03433	0.6
95.01395	4.6
95.05038	0.5
97.02961	1.3
99.00886	4.7
101.02449	52.8
102.02775	0.9
109.06617	0.7
111.00861	0.5
111.04472	0.5
112.22612	0.4
113.02458	32.3
114.02737	0.6
117.03476	1.0
119.03510	30.4
119.04895	1.1
125.02433	1.5
129.01888	0.7
130.72292	0.4
131.03543	3.1
132.60802	0.5
135.04512	3.8
135.08144	0.5
137.09695	2.8
138.06897	6.0
143.03502	6.1
145.02951	4.4
149.04514	1.7
151.11259	2.9
153.09224	11.8
153.12828	1.5
154.09529	0.8
159.03011	3.0
161.04564	16.8
161.05817	0.6
163.03970	0.8
163.11243	1.5
173.02835	0.6
173.04459	0.7
179.03656	2.5
179.05615	6.3
180.03952	0.4
180.05836	0.5
181.12292	0.7
187.11200	0.6
189.12914	2.9
191.05598	4.3
192.05814	0.6
205.05130	0.6
207.10275	0.9
207.13870	3.2
225.14970	32.7
226.15321	2.7
243.05875	0.9
275.19360	0.4
297.16931	1.0
307.08084	1.7
308.08548	0.7
353.08383	1.1
387.16095	7.4
387.21039	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.3
56.99832	0.3
57.03453	6.0
58.00595	1.9
59.01383	41.8
60.01713	0.4
69.03486	0.4
71.01387	55.5
71.05024	3.4
71.29731	0.5
72.01714	0.8
72.99323	2.5
73.02954	12.5
75.00874	1.0
81.03477	1.7
83.01397	5.4
84.02214	0.4
85.02956	19.0
86.03300	0.4
87.00880	1.9
89.02453	21.5
89.49749	0.3
90.02779	0.4
93.03465	1.3
95.01391	4.8
95.05049	2.2
97.02956	3.2
98.03749	0.4
99.00887	6.0
99.08131	0.4
101.02450	28.7
102.02820	0.5
109.03003	0.3
109.06583	2.0
111.00890	0.5
111.04520	1.2
113.02459	21.2
113.09737	0.5
114.02801	0.6
119.03513	7.7
121.10269	0.7
122.03767	0.7
123.08165	1.5
125.02470	1.0
126.13049	0.4
129.01950	0.5
131.03537	0.9
135.08174	1.0
136.05330	0.6
137.02473	1.8
137.06102	0.8
137.09723	2.3
138.06877	30.9
139.07277	1.2
143.03519	2.2
149.04486	0.3
149.09775	0.8
150.06909	0.8
151.07666	1.0
152.08435	0.5
153.09224	73.3
154.09558	3.2
155.10884	0.3
159.02997	3.6
161.04567	17.9
162.04916	0.6
163.11249	0.6
165.12848	1.3
166.77570	0.3
173.47861	0.3
173.64972	0.3
179.05658	2.0
182.56619	0.4
192.11638	0.7
207.13930	5.9
208.14259	0.5
225.14980	100.0
226.15323	7.9
296.25217	0.3
301.16675	0.4
332.39273	0.3
387.16263	0.8
387.20462	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
57.03431	2.0
58.00583	3.1
59.01384	100.0
60.01706	1.4
64.26760	0.7
66.64961	0.8
69.00679	7.4
70.00906	0.8
71.01388	68.8
72.01715	1.0
72.99306	3.0
73.02949	9.9
75.00864	0.9
82.31087	0.7
83.01401	6.4
85.02958	19.1
87.00868	2.8
89.02453	57.4
95.01399	4.1
97.02975	1.5
98.06376	0.8
99.00892	3.5
101.02454	48.1
101.14012	0.9
101.34132	0.8
102.02774	1.0
111.57304	0.9
113.02460	30.1
119.03524	24.1
125.02464	1.0
131.03514	1.8
135.22871	0.8
143.03522	5.4
143.04491	0.8
149.04579	2.1
152.08434	6.0
153.09058	0.9
159.03014	3.7
161.04573	21.6
163.11328	1.0
165.09233	1.3
179.05647	4.9
184.48677	0.8
225.14925	8.9
387.16476	1.2
387.20331	32.2
388.20541	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.0
57.03458	5.7
58.00594	2.8
59.01385	80.9
69.03466	0.7
69.06819	5.3
71.01389	64.3
71.05048	1.0
72.01718	1.0
72.99323	3.7
73.02955	12.9
75.00900	1.0
83.01400	7.2
85.02956	22.5
87.00876	3.5
89.02454	39.5
90.02805	0.7
95.01388	5.5
97.02985	1.1
99.00894	5.4
101.02453	43.0
102.02795	1.1
111.00917	0.8
113.02459	23.7
114.02795	1.0
119.03510	19.5
120.03859	0.6
123.08199	0.8
123.47356	0.7
125.02460	1.2
131.03531	1.7
137.09782	1.9
138.03180	0.7
138.06894	1.5
143.03526	2.9
149.04498	1.1
151.11269	1.0
152.08456	1.0
153.05606	0.7
153.09232	4.5
153.12891	0.7
159.03011	2.1
161.04565	11.4
163.11328	1.4
165.09100	0.8
179.05626	2.5
179.14365	0.6
181.12343	1.1
195.13896	1.6
197.15425	1.5
207.10263	0.7
207.13852	4.0
225.14975	23.3
226.15277	2.1
276.00415	0.8
303.75601	0.6
387.20273	100.0
388.20578	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.4
57.03444	3.4
58.00587	3.6
59.01383	100.0
60.01714	1.7
69.22079	6.3
69.22419	1.0
71.01385	70.8
72.01726	1.3
72.87477	0.9
72.99299	4.4
73.02956	13.3
74.86020	0.7
83.01393	6.9
85.02956	22.9
87.00852	3.7
89.02448	66.3
90.84314	0.8
95.01400	5.2
97.02946	1.0
99.00895	3.9
101.02448	47.9
102.02784	0.8
113.02457	30.9
119.03500	28.3
125.02398	0.9
131.03517	2.6
136.05315	1.6
143.03497	4.7
149.04573	2.7
151.07684	1.4
152.01175	1.1
152.08461	8.5
153.09196	2.2
159.03009	3.6
161.04556	16.3
167.03548	2.0
173.24567	0.8
179.05612	6.4
192.72366	0.8
207.13934	1.0
225.15015	7.3
226.15294	1.0
293.32025	0.9
372.17984	2.2
387.20291	55.8
388.20544	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95391	62.6
59.01389	70.3
60.28556	58.5
63.46429	68.9
71.29819	100.0
140.97333	64.5
144.14252	81.6
176.01692	63.8
183.13091	61.8
191.81516	77.2
272.82016	74.2
337.71478	68.4
349.66324	68.1
372.90201	62.0
387.28973	90.9
393.10983	70.8
397.32361	73.0
408.46036	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2544
Annotation	Plakortolide I
Peak:m/z	Relative Intensity
51.35436	4.8
57.03455	6.2
70.42867	11.7
78.57578	5.4
81.03474	17.1
91.04124	4.1
92.65432	6.0
98.22588	6.0
104.23116	5.1
125.02484	6.7
239.98309	5.2
289.25092	4.7
299.31796	5.6
300.57428	5.1
300.97504	5.4
343.26495	31.9
387.25482	100.0
388.25748	13.0
403.95517	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57225	24.8
59.01377	100.0
71.01370	63.2
85.02962	45.1
89.02424	33.9
98.22534	68.6
116.28323	26.6
150.31978	23.7
164.07982	26.7
165.00140	24.8
191.05650	27.0
302.97809	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06835	13.4
59.01387	100.0
65.48598	11.8
69.36993	71.6
71.01382	42.7
80.95519	13.3
83.01385	15.3
85.02977	20.6
85.29829	12.5
89.02457	37.7
89.98681	12.2
96.96966	18.9
98.22550	17.6
101.02424	26.4
101.92153	12.0
113.02453	17.7
115.79540	14.2
119.03582	16.9
135.04485	17.3
137.02438	20.1
144.44887	13.8
161.04582	14.5
165.05521	19.6
190.44720	11.8
204.89038	12.6
226.07988	35.9
227.09264	35.2
259.55429	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	11.7
59.01133	9.7
59.01382	100.0
61.98820	27.1
71.01382	50.1
71.29039	9.8
78.95897	11.4
85.02944	11.9
89.02438	36.2
96.96957	12.5
101.02447	36.1
113.02448	19.8
113.78344	8.8
115.45174	8.6
120.99616	10.7
125.02467	12.2
137.02425	13.7
149.02444	12.6
161.04506	10.5
163.19147	11.6
165.05554	10.8
180.07471	9.5
183.10316	16.3
198.18994	9.1
300.14435	8.9
388.04352	10.2
388.16989	20.8
389.08206	9.0
389.18051	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.4
59.01382	100.0
69.16280	9.0
71.01024	2.3
71.01384	21.6
73.02953	7.3
79.92271	1.3
83.01383	2.5
85.02968	8.3
89.02443	12.9
101.02448	17.3
102.77449	1.1
104.44961	1.2
113.02447	11.3
115.92080	1.7
116.92860	3.1
118.88679	1.5
119.03512	4.5
131.50710	1.1
132.68681	1.4
143.03534	1.8
161.04596	14.1
161.88110	1.3
171.93375	1.3
179.05659	2.3
180.27303	1.5
183.10255	5.8
226.15323	1.8
226.49530	1.5
234.35722	1.1
329.16098	13.7
389.17987	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.2
57.03449	3.2
59.01383	100.0
62.81166	1.5
64.46582	1.2
68.35760	1.2
68.99813	1.5
71.01388	46.6
71.23038	1.2
71.29979	2.1
72.99310	2.5
73.02956	8.0
83.01379	4.6
85.02958	14.1
85.06583	1.5
87.00864	3.4
89.02452	38.4
95.01403	2.3
99.00889	3.0
99.92635	1.3
101.02450	33.1
108.02118	1.6
113.02457	21.6
114.93833	1.3
115.92097	2.8
116.92867	7.4
119.03513	16.9
123.04504	2.9
131.03479	2.0
131.14716	1.4
143.03479	2.3
143.05080	1.9
149.09763	2.0
152.07101	1.5
157.06488	1.5
159.03000	2.2
161.04588	13.1
179.05612	3.1
183.10254	8.2
185.06064	4.5
193.05086	1.7
227.07152	29.5
227.16554	4.3
359.11594	2.3
374.13739	1.7
389.16837	2.1
389.21713	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.198
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32788	5.2
61.98837	100.0
66.17512	4.6
73.85184	4.5
78.50008	4.2
80.42073	4.2
86.54826	4.3
98.21817	12.4
114.21020	4.3
156.37811	4.0
300.93332	5.2
362.52591	4.4
389.20300	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
58.00595	0.8
58.70768	0.7
59.01383	28.5
59.24368	0.6
62.82189	0.7
67.01884	3.0
69.03321	4.6
69.03723	2.0
71.01385	17.2
72.99310	1.5
73.02945	1.5
81.03441	0.8
83.01379	0.8
83.05038	1.0
85.02940	3.9
87.00866	0.8
89.02452	17.9
91.05491	0.8
93.03462	19.3
94.03775	0.8
95.01373	0.6
98.22564	1.0
99.00890	1.1
101.02465	7.9
107.05021	2.6
111.04530	2.9
113.02471	4.4
119.03500	5.5
127.03996	1.0
134.03783	1.2
135.04539	36.4
136.04861	1.3
137.02451	3.1
143.03549	0.7
146.48564	0.6
154.37573	0.7
155.03532	2.9
161.04541	1.3
162.03331	0.7
173.04555	100.0
174.04893	3.8
177.05582	1.7
179.03506	9.0
179.05070	0.9
179.05653	0.9
181.44571	0.6
191.05641	12.0
217.08577	0.8
219.06473	1.1
221.08194	0.8
231.06700	0.8
249.07642	1.2
293.06656	1.5
353.08789	22.6
354.09091	2.4
389.06491	1.9
389.13470	1.2
389.17841	5.6
389.22577	1.1
394.26685	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.6
58.29087	0.5
59.01374	3.2
61.98832	6.1
69.00728	0.5
69.01057	1.2
69.01461	4.5
71.01378	1.7
83.05024	0.6
85.02950	1.6
86.51833	0.5
89.02464	1.3
91.05547	1.3
93.03460	2.0
96.45417	0.5
101.02479	0.9
107.05038	4.9
109.05328	0.6
111.04542	1.9
111.55054	0.5
113.02446	1.0
125.02473	3.7
126.02802	1.0
127.02961	1.0
133.02946	0.7
134.03760	3.9
135.04539	100.0
136.04854	5.0
137.02429	0.8
155.03560	1.8
161.02400	0.8
173.04567	6.8
179.03511	20.6
180.03842	1.0
191.05632	20.0
192.05910	1.0
254.87280	0.6
257.00482	0.5
353.08786	18.8
354.09207	2.1
369.33423	0.6
389.06561	2.1
389.18063	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26410	2.4
55.01872	8.1
57.03441	10.4
58.00602	4.0
59.01383	55.7
71.01389	100.0
71.31514	4.5
71.59091	2.6
72.99290	4.3
73.02950	36.5
75.00863	2.5
77.64007	2.6
83.01406	17.0
85.02955	55.4
87.00890	5.4
87.02746	8.5
89.02451	13.8
95.01389	7.5
96.00340	2.8
99.00901	17.2
100.97880	2.3
101.02452	97.7
101.03126	4.9
113.02466	49.2
114.01433	4.2
117.38501	2.5
125.02444	4.3
125.09723	3.1
143.03494	6.4
149.16661	2.4
159.03020	13.8
161.04578	44.9
171.10304	10.1
183.13902	5.1
197.10056	4.1
201.11301	22.9
227.07143	2.7
227.12933	7.6
258.18427	2.6
259.13733	24.5
292.98706	2.4
329.14505	2.8
345.11050	18.5
347.15237	3.0
371.24448	17.4
389.09979	5.0
389.16144	6.8
389.25482	31.6
390.25879	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1093
Annotation	Eustomoside
Peak:m/z	Relative Intensity
50.43763	0.7
59.01384	0.8
68.95856	0.7
69.39619	3.1
87.93513	0.6
98.22585	0.8
104.89236	0.6
111.00885	1.2
116.72202	0.6
120.05159	0.6
123.00906	1.4
124.01656	2.4
125.02449	10.4
136.01675	6.9
136.54999	0.7
139.00415	1.0
139.04012	5.6
148.44450	0.8
151.03995	2.1
152.01169	3.3
153.01944	4.7
164.01166	59.2
165.01654	3.2
169.05066	5.0
173.49290	0.7
179.03511	31.3
180.00644	1.0
180.03912	1.6
181.01430	4.7
182.02219	20.4
183.02617	1.1
191.60583	0.6
197.04562	100.0
198.04877	4.8
211.02478	0.9
212.03255	4.3
213.03731	0.9
226.04813	1.9
227.05620	68.1
228.05957	2.7
300.47430	0.9
331.51688	0.8
359.09918	8.8
389.10925	54.0
390.11252	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	10.4
59.01382	15.5
62.73831	0.8
71.01388	3.0
71.32358	1.6
73.02947	2.3
78.65056	0.9
85.02939	1.3
87.25607	1.0
89.02459	1.4
97.55959	1.0
108.02193	3.6
109.02961	9.0
113.02452	1.8
117.03508	3.2
119.03490	1.3
121.02958	3.6
122.03769	5.9
123.00853	1.4
123.04555	6.1
133.02974	2.1
134.03769	7.7
136.01677	5.2
137.02470	1.3
137.06117	3.2
145.02979	15.2
146.03731	4.0
147.04526	4.7
148.01660	5.2
149.02463	3.5
149.06071	1.8
150.03236	5.9
151.04039	8.7
153.05629	3.4
153.09221	1.6
158.47957	0.9
161.02464	17.4
162.03249	19.3
163.04053	15.2
164.01266	1.7
164.04779	2.8
165.01947	1.4
165.05566	3.2
166.02747	2.3
177.05542	5.3
178.02713	8.2
179.03467	3.9
179.07268	2.0
180.04318	8.4
181.05009	7.2
189.01984	1.2
193.05072	19.1
194.05771	3.4
195.06641	100.0
196.07045	5.5
198.41719	0.9
201.11314	2.1
201.16219	1.0
209.04530	4.8
209.11852	8.3
215.12822	1.1
227.12863	2.6
241.08725	1.6
341.10483	2.2
371.24454	1.1
389.12421	6.1
389.17694	2.7
389.25485	21.9
390.25674	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1456
Annotation	Reptoside
Peak:m/z	Relative Intensity
54.79118	1.2
55.01864	3.7
57.03433	3.8
58.00576	2.1
59.01385	45.9
61.98795	1.4
71.01389	46.8
71.29889	1.1
71.30272	2.1
72.01723	1.2
72.99281	4.6
73.02950	13.3
74.99096	1.9
75.00879	11.3
81.03442	2.0
83.01398	7.6
85.02473	2.0
85.02956	23.7
87.00884	9.1
89.01958	1.7
89.02448	20.2
93.03428	2.2
95.01368	5.1
99.00864	5.8
101.01835	2.6
101.02451	41.8
109.02940	5.2
113.02467	20.7
119.03529	8.6
123.04485	1.5
125.02415	2.2
131.03484	1.6
133.02916	4.5
134.03700	3.4
135.04535	29.8
136.04898	1.3
136.99217	1.5
137.02455	55.9
138.03072	2.1
143.03505	2.2
147.43150	1.3
148.82138	1.2
152.04794	19.5
153.05507	5.2
159.02948	2.2
161.02405	1.6
161.04578	11.0
167.07079	3.8
173.04533	4.8
178.02711	3.0
179.03522	17.4
179.05560	2.3
180.07762	1.3
184.03833	6.6
191.05518	5.5
193.05046	3.9
194.05804	4.4
197.04495	3.5
200.00853	6.1
209.08221	10.7
212.06902	26.9
213.07326	2.1
215.03178	4.3
225.15797	1.2
227.09259	100.0
228.09576	7.5
237.06180	13.4
353.08755	5.8
389.08514	9.6
389.14410	58.7
390.14908	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.7
59.01384	100.0
60.01712	2.0
61.98835	2.1
69.02380	9.5
69.02808	8.3
71.01391	12.9
72.99279	2.1
74.99077	2.6
75.00877	28.2
78.79025	1.3
79.81030	1.7
85.02952	7.7
87.00874	6.5
88.22685	1.5
89.02458	5.7
89.84472	1.8
93.03476	4.0
98.21710	3.5
101.02456	7.4
107.05044	3.4
111.04551	2.0
113.02454	5.2
119.03504	1.5
133.02975	2.0
134.03748	9.8
135.04541	74.2
136.99174	2.2
149.06093	6.8
151.04036	2.8
152.04778	8.1
155.03413	3.1
159.70320	1.6
161.04575	7.5
162.65865	1.6
167.07141	27.9
168.07423	2.0
173.04573	9.6
173.05862	2.1
178.02715	3.3
179.03511	34.9
180.03830	2.7
191.05658	12.2
192.05881	2.2
193.05083	18.3
194.05800	14.8
200.00905	3.0
202.37184	2.1
208.07454	4.7
209.08211	33.3
215.03210	1.9
229.50781	1.6
237.06183	39.2
353.08820	13.8
384.00070	1.7
389.08282	5.0
389.14465	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.4
69.13417	1.1
69.43863	6.8
71.01390	8.6
73.02982	1.9
75.84411	1.1
79.77724	1.2
85.02956	5.5
87.00874	17.8
89.02466	3.2
93.03456	2.3
93.35093	1.1
96.96933	1.1
98.21861	2.2
101.02462	4.4
107.05044	2.2
109.02938	1.8
113.02460	4.3
114.48978	1.2
119.03500	1.8
120.31796	1.4
124.85229	1.2
134.03757	2.3
135.04536	57.6
136.04874	2.8
137.02440	4.0
150.03265	5.6
151.04007	6.0
161.04520	2.2
165.05568	3.6
169.31520	1.1
173.04550	5.6
178.02690	5.5
179.03511	59.4
180.03865	2.7
191.05621	9.3
193.05060	56.5
194.05850	42.5
195.06207	1.3
208.07457	12.8
209.08200	100.0
210.08537	6.4
353.08823	11.6
354.09128	2.0
371.13297	1.4
389.06516	2.2
389.14627	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1612
Annotation	Flibanserin
Peak:m/z	Relative Intensity
54.19537	0.6
58.55490	0.6
68.99817	0.7
69.31028	4.6
69.49528	0.7
83.01385	1.6
84.98680	0.7
110.00130	0.7
111.00882	4.2
112.98850	0.9
123.00915	3.3
123.04514	1.4
124.01662	6.2
125.02466	7.3
127.00433	3.3
135.04510	1.1
136.98778	2.5
137.02464	1.4
138.03183	0.8
139.00397	17.3
139.04027	5.2
140.01181	14.5
149.06079	0.6
150.33444	0.7
151.03993	2.0
152.01305	0.7
153.01910	0.7
154.02745	5.0
161.05995	0.8
163.04002	1.3
164.04817	6.8
165.05594	1.4
177.05530	1.1
179.03520	5.8
179.07152	6.2
180.04298	16.0
181.05099	6.9
193.05069	1.9
195.06630	12.2
196.06847	0.9
204.04283	1.8
205.04987	1.3
206.05930	1.7
207.06650	9.1
213.97638	0.7
218.05728	1.8
219.06633	10.9
220.06645	0.7
221.08212	5.0
233.08237	1.2
244.09216	0.7
318.88242	0.6
323.08844	0.6
324.09915	1.4
339.12372	2.6
341.10132	1.3
344.12637	3.3
345.13293	2.0
356.12671	1.7
359.11423	7.4
360.11829	0.9
373.13000	1.3
374.13721	27.0
375.14072	2.5
389.16049	100.0
390.16437	13.5
411.68280	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1613
Annotation	Flibanserin
Peak:m/z	Relative Intensity
61.79393	1.7
83.89268	1.7
95.04943	1.7
96.96056	2.3
97.15218	1.8
100.77874	1.6
109.02959	3.0
117.77568	1.7
121.02991	3.3
121.06568	1.8
123.00921	2.0
123.89714	1.7
124.01656	5.6
125.02446	3.2
137.02486	2.3
139.00385	2.9
139.04018	5.5
140.01102	3.0
145.06598	2.4
147.08183	2.9
151.00407	9.5
152.01175	37.6
153.01955	11.1
162.03256	2.9
163.03961	1.9
163.07619	2.3
166.02750	18.4
167.03493	42.0
168.03888	1.9
173.06047	5.7
176.04765	11.9
177.05569	3.1
179.03490	3.4
180.04274	2.9
181.05074	17.5
191.07158	29.2
192.07928	33.6
193.08495	4.1
194.05977	3.2
205.08685	2.3
206.05887	3.5
207.10309	11.4
208.32841	1.7
220.07384	2.6
229.26944	2.1
287.09033	1.7
357.13422	2.9
374.13754	21.3
375.14117	3.1
389.16031	100.0
390.16425	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87058	2.6
54.02277	2.9
59.01385	100.0
62.28695	2.5
71.01377	3.3
71.28660	2.8
79.96649	2.4
81.40709	2.6
85.02989	2.6
110.43397	2.6
111.68684	2.6
113.02485	3.5
123.00887	8.3
138.03256	7.0
142.95946	2.9
167.10774	46.2
168.11110	3.3
177.05534	3.7
189.84018	3.0
191.10628	2.9
315.97122	3.2
389.16281	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
57.03450	2.0
58.00608	1.0
59.01384	100.0
66.33760	0.8
69.15949	1.9
69.16369	4.6
71.01386	42.2
72.99314	1.8
73.02941	8.2
83.01407	4.0
85.02960	14.6
87.00873	2.4
89.02451	25.8
95.01389	3.9
98.22546	1.7
99.00888	3.8
101.02453	32.9
113.02456	17.4
119.03513	10.5
125.02467	0.9
131.03592	1.1
143.03535	4.2
154.80637	0.9
159.02971	3.4
161.04576	20.5
179.05588	4.6
185.28273	0.9
227.16534	3.0
241.08781	4.6
269.08142	3.7
301.15192	0.8
325.12396	0.8
329.16110	2.2
389.17758	1.2
389.21890	21.2
390.22070	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62525	0.6
55.01873	0.9
57.03444	1.4
58.00595	0.6
58.81841	0.6
59.01382	100.0
60.01725	0.6
61.03681	0.6
69.03475	0.7
71.01388	16.9
71.01752	1.2
71.29887	0.5
71.30260	0.8
72.99306	0.8
73.02949	5.2
83.01412	2.6
85.02965	5.7
87.00881	1.0
89.02451	7.2
93.03506	0.6
95.01393	1.4
99.00901	2.0
101.02447	14.3
102.02868	0.6
113.02454	7.4
119.03538	2.0
121.02991	1.7
122.03731	1.1
134.03760	4.2
136.29623	0.6
143.03525	1.5
143.05119	1.0
149.02489	2.5
149.06082	0.6
150.03247	5.8
159.03052	1.7
161.04558	10.1
163.16742	0.5
165.05588	6.0
178.02812	2.3
185.06064	1.1
193.05035	5.2
195.06622	3.7
209.11861	0.6
227.07166	14.6
227.16669	1.8
228.07533	1.2
239.04967	0.6
278.61984	0.6
282.09183	0.6
329.16077	3.9
330.16599	0.9
341.10138	3.1
389.07251	0.7
389.12662	0.6
389.17883	1.0
389.22211	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28730	0.7
55.54805	0.8
57.03444	2.3
58.00591	3.1
59.01383	100.0
65.62398	0.8
71.01378	6.8
71.31013	0.9
71.52274	0.8
73.02940	2.4
82.04543	0.9
85.02946	3.8
86.00121	1.4
87.00893	1.6
87.04537	1.2
87.43206	0.8
89.02454	4.2
89.38684	0.8
97.06620	0.9
101.02459	5.6
108.02196	0.9
109.02966	2.0
113.02444	3.0
113.06041	1.0
119.03556	1.2
122.03788	1.3
123.04510	1.9
123.08137	1.0
125.09747	2.0
134.03789	0.9
137.06111	0.9
137.09789	0.9
139.11301	1.6
145.02980	2.4
148.01733	0.9
150.03177	1.6
151.04057	1.0
155.10791	1.2
157.08714	1.0
157.12357	1.0
161.02443	3.3
161.04578	3.9
162.03232	3.3
163.04018	3.3
164.01024	0.8
165.01880	0.9
166.02620	1.3
171.10272	3.7
178.02776	2.7
180.04240	2.0
181.05058	1.4
185.11844	3.7
189.05618	0.8
193.05095	3.6
195.06635	18.4
201.11337	8.5
209.11775	5.3
215.12915	3.2
227.12982	2.3
239.12961	2.3
243.15984	1.3
301.20331	4.3
329.16119	3.1
329.23386	1.5
341.23419	1.3
359.24411	1.2
371.24432	3.1
389.12198	1.4
389.17502	1.4
389.25491	55.3
390.25836	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62525	0.6
55.01873	0.9
57.03444	1.4
58.00595	0.6
58.81841	0.6
59.01382	100.0
60.01725	0.6
61.03681	0.6
69.03475	0.7
71.01388	16.9
71.01752	1.2
71.29887	0.5
71.30260	0.8
72.99306	0.8
73.02949	5.2
83.01412	2.6
85.02965	5.7
87.00881	1.0
89.02451	7.2
93.03506	0.6
95.01393	1.4
99.00901	2.0
101.02447	14.3
102.02868	0.6
113.02454	7.4
119.03538	2.0
121.02991	1.7
122.03731	1.1
134.03760	4.2
136.29623	0.6
143.03525	1.5
143.05119	1.0
149.02489	2.5
149.06082	0.6
150.03247	5.8
159.03052	1.7
161.04558	10.1
163.16742	0.5
165.05588	6.0
178.02812	2.3
185.06064	1.1
193.05035	5.2
195.06622	3.7
209.11861	0.6
227.07166	14.6
227.16669	1.8
228.07533	1.2
239.04967	0.6
278.61984	0.6
282.09183	0.6
329.16077	3.9
330.16599	0.9
341.10138	3.1
389.07251	0.7
389.12662	0.6
389.17883	1.0
389.22211	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06366	1.5
66.81973	1.5
67.86104	1.7
70.36181	4.8
70.36560	1.4
109.02934	9.6
121.02945	1.7
124.01669	10.1
125.02457	58.9
132.53152	1.6
135.04509	3.0
135.26569	1.5
137.02458	67.4
138.03108	5.0
139.04033	10.2
148.27573	1.5
151.03993	8.4
152.04770	4.6
153.05551	2.6
161.54231	1.5
163.07693	2.5
164.04848	12.8
165.05547	5.9
167.07124	3.8
179.07126	12.3
184.03781	1.7
186.47519	1.5
191.07126	5.3
192.07768	1.5
192.30394	1.8
194.37056	1.6
201.94145	1.5
204.07852	2.4
207.21048	1.8
273.11444	2.3
285.11288	4.4
301.11102	2.6
312.04007	1.6
316.13153	1.9
329.10486	3.1
359.15030	37.5
360.15436	3.7
374.17346	92.3
375.17673	12.0
389.19727	100.0
390.20010	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1974
Annotation	CHEBI:70372
Peak:m/z	Relative Intensity
52.99651	0.7
53.82777	0.8
59.01389	7.2
60.01722	0.8
69.04266	3.0
69.04688	4.5
83.05032	8.2
85.06593	1.6
97.96358	0.8
98.04851	0.9
105.07153	1.1
137.02492	4.0
149.06061	1.2
151.07571	0.8
152.04803	3.1
153.05571	2.7
163.11314	1.0
165.05585	3.8
169.09920	0.9
181.56133	0.9
189.12897	2.4
192.04326	1.5
192.94394	0.8
201.12851	1.1
215.10791	3.8
217.12363	2.0
221.01105	0.9
243.10167	4.2
252.15256	1.1
257.19086	4.5
269.15744	1.0
271.09756	4.9
271.13358	2.8
273.18756	2.2
285.15012	4.1
285.18686	5.7
286.15604	1.9
299.12900	2.4
301.18115	17.8
302.18484	2.6
311.16644	1.5
313.14502	2.3
313.21710	1.5
314.15179	1.1
329.17612	74.6
330.17981	7.6
347.18735	1.8
361.20325	2.1
389.19733	100.0
389.27463	2.6
390.20050	13.6
403.29773	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.8
56.18649	0.6
57.03455	6.5
58.00595	2.2
59.01384	57.8
60.01682	0.9
67.01900	2.2
69.03452	1.2
69.08575	5.1
69.08997	1.8
71.01386	100.0
71.05025	10.7
71.16241	0.6
72.01718	1.9
72.99298	3.3
73.02950	25.2
74.99132	0.8
75.00894	0.7
81.79919	0.6
83.01385	11.1
83.05041	1.3
85.02957	39.5
85.06618	0.6
86.03268	0.9
87.00886	4.1
89.02454	24.7
89.28265	0.7
93.03460	9.3
95.01403	5.8
97.02974	3.0
98.03750	3.8
98.21841	1.8
99.00890	11.0
99.04504	1.0
101.02451	58.2
102.02812	1.4
107.05038	1.6
109.03017	0.7
111.00955	0.7
111.04552	2.2
113.02457	37.2
114.02804	1.2
119.03514	9.6
120.99691	1.0
123.08215	1.1
124.05340	2.8
125.02489	1.9
127.07703	1.6
129.01944	1.9
131.03476	1.1
132.10568	0.6
134.03778	0.7
134.15379	0.6
135.03523	1.2
135.04532	18.9
136.04854	1.6
137.02483	1.6
137.09706	3.6
138.06885	2.0
139.07658	12.6
139.11317	1.0
143.03551	3.7
149.04625	0.8
153.09227	7.4
155.03539	2.1
155.10786	42.1
156.11191	2.9
159.03024	9.8
160.03394	0.8
161.03400	0.7
161.04568	40.5
173.04555	55.1
174.04948	3.2
179.03525	4.6
179.05618	1.3
186.74506	0.7
191.05618	6.6
191.43336	0.6
199.09874	1.7
199.23309	0.7
205.03603	1.2
209.15590	1.5
214.61061	0.7
227.16542	73.9
228.16872	6.1
278.68967	0.7
353.08789	8.3
354.09186	1.4
389.06989	0.9
389.17502	5.2
389.22556	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56228	0.8
55.01874	9.7
57.03451	5.4
58.00587	1.8
59.01382	48.4
68.99818	0.9
69.52653	4.6
70.76574	0.7
71.01386	100.0
72.01711	1.7
72.99294	3.4
73.02950	29.2
75.00876	2.1
83.01396	15.5
85.02956	48.4
87.00881	4.1
89.02441	15.0
95.01394	8.5
97.02959	2.8
99.00898	13.5
101.02451	76.9
102.02808	2.0
103.66861	0.8
113.02457	43.3
114.02792	1.7
119.03526	4.7
125.02447	2.2
129.01991	1.6
131.03453	1.1
143.03462	4.2
147.11781	3.6
159.02994	10.6
161.04565	50.4
162.04893	1.5
227.16487	3.3
235.88858	0.8
389.17627	1.8
389.21851	41.9
390.22083	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12083	1.0
53.58797	0.8
55.01883	6.6
57.03450	6.6
58.00591	4.4
59.01381	95.5
63.07821	1.1
69.12868	8.9
71.01385	100.0
72.01723	2.3
72.99304	4.8
73.02953	25.3
75.00889	1.8
82.71691	0.9
83.01392	13.0
85.02953	42.8
85.12376	0.9
86.03273	1.2
87.00870	4.5
89.02449	51.1
90.02802	1.6
95.01392	8.2
97.02953	2.5
99.00885	10.9
99.03622	1.0
101.02448	79.0
102.02786	1.9
111.00876	2.0
113.02457	44.2
114.02814	1.3
119.03513	28.9
120.03871	1.2
120.99655	1.0
125.02466	2.3
129.01910	1.7
131.03511	2.0
134.03783	1.5
135.98293	1.0
137.75304	1.0
143.03517	5.8
145.02997	1.5
147.11760	2.7
149.04559	2.7
150.03227	1.8
159.03030	8.6
159.04210	1.4
161.02490	2.0
161.04562	40.0
165.12872	3.7
179.05629	7.9
191.05624	2.4
193.05066	1.2
195.06660	4.1
205.03593	1.1
209.15453	1.5
227.12906	1.2
227.16533	4.0
261.60428	1.1
352.43814	1.0
389.17932	2.8
389.21869	64.1
390.22089	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56228	0.8
55.01874	9.7
57.03451	5.4
58.00587	1.8
59.01382	48.4
68.99818	0.9
69.52653	4.6
70.76574	0.7
71.01386	100.0
72.01711	1.7
72.99294	3.4
73.02950	29.2
75.00876	2.1
83.01396	15.5
85.02956	48.4
87.00881	4.1
89.02441	15.0
95.01394	8.5
97.02959	2.8
99.00898	13.5
101.02451	76.9
102.02808	2.0
103.66861	0.8
113.02457	43.3
114.02792	1.7
119.03526	4.7
125.02447	2.2
129.01991	1.6
131.03453	1.1
143.03462	4.2
147.11781	3.6
159.02994	10.6
161.04565	50.4
162.04893	1.5
227.16487	3.3
235.88858	0.8
389.17627	1.8
389.21851	41.9
390.22083	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2184
Annotation	Turpinionoside D
Peak:m/z	Relative Intensity
55.01854	0.9
57.03446	1.4
58.00602	0.9
59.01387	20.2
71.01391	14.2
72.99298	0.7
73.02955	4.4
75.97651	0.8
80.23836	0.7
83.01404	1.8
83.05026	0.9
85.02962	5.4
85.82583	0.7
87.00893	1.6
89.02446	4.5
95.01398	1.5
98.21817	1.7
98.22488	1.4
99.00919	0.8
101.02451	6.1
105.00187	1.3
113.02448	2.8
119.03486	1.5
157.08632	1.6
165.09271	1.2
209.15465	2.6
227.16560	31.2
228.16823	2.3
329.23367	1.2
371.20581	1.4
389.21808	100.0
390.22046	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58849	51.9
51.56261	57.5
52.03047	71.6
54.59583	57.5
61.63792	63.7
65.53524	55.8
71.31174	99.8
80.96532	100.0
86.25111	62.9
87.25425	62.3
97.25793	60.9
111.38733	65.5
240.21762	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79179	84.0
53.91129	99.5
80.96525	96.0
110.52953	86.1
131.23276	100.0
173.02431	89.9
181.58084	88.3
212.78503	92.1
283.64740	90.3
330.62576	91.9
367.81979	89.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38095	3.8
59.01378	25.4
61.98838	100.0
69.04327	39.5
69.71024	4.3
105.26517	4.2
138.25111	4.6
297.78024	5.0
351.80466	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71883	3.6
56.27243	3.3
59.01385	100.0
69.73991	17.7
71.01380	11.8
81.12778	3.4
85.02953	4.8
85.24510	3.3
89.02436	4.8
92.14956	3.4
96.95197	4.2
101.02459	10.7
105.72186	3.9
113.02448	5.1
120.76825	3.4
127.02050	3.3
133.82553	3.3
135.04546	17.2
137.01443	3.8
139.63873	3.4
160.35358	4.1
161.04491	6.6
164.52374	3.6
179.03508	5.0
179.97050	3.9
193.05069	7.2
210.08505	3.6
218.97598	5.1
231.21164	3.4
262.96576	18.2
294.99887	3.5
301.39490	4.5
331.17664	10.6
347.17120	3.9
391.04709	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97964	1.8
59.01384	100.0
63.97836	1.7
69.28516	14.1
70.44284	1.9
71.01399	12.6
73.02928	2.1
77.95619	2.0
85.02959	4.7
89.02448	7.1
93.03464	3.8
101.02467	8.6
107.04999	2.9
111.04504	1.9
113.02485	5.8
119.03513	2.2
127.58776	2.2
134.03648	2.8
135.04538	57.5
136.04872	15.7
161.04633	10.1
173.04558	3.8
178.63107	2.3
179.03510	22.1
179.05054	2.9
180.03908	7.2
191.05589	9.6
267.11331	5.0
285.12469	2.9
303.16290	2.2
329.11533	3.7
331.17697	6.8
340.87427	2.1
347.17017	5.0
353.08920	7.0
354.09201	4.5
390.17551	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97964	1.8
59.01384	100.0
63.97836	1.7
69.28516	14.1
70.44284	1.9
71.01399	12.6
73.02928	2.1
77.95619	2.0
85.02959	4.7
89.02448	7.1
93.03464	3.8
101.02467	8.6
107.04999	2.9
111.04504	1.9
113.02485	5.8
119.03513	2.2
127.58776	2.2
134.03648	2.8
135.04538	57.5
136.04872	15.7
161.04633	10.1
173.04558	3.8
178.63107	2.3
179.03510	22.1
179.05054	2.9
180.03908	7.2
191.05589	9.6
267.11331	5.0
285.12469	2.9
303.16290	2.2
329.11533	3.7
331.17697	6.8
340.87427	2.1
347.17017	5.0
353.08920	7.0
354.09201	4.5
390.17551	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69868	0.4
56.16808	0.4
58.66291	0.4
59.01387	0.8
67.01859	0.6
70.47526	0.9
71.01370	1.0
71.26959	0.5
75.00872	1.0
78.95898	1.1
81.03475	0.6
85.02969	0.8
87.00877	1.0
93.03464	4.1
95.01382	0.7
96.84779	0.4
96.96935	1.2
106.04326	0.5
111.04536	1.8
112.90009	0.4
117.03448	0.8
121.02970	2.9
123.04562	0.5
127.03997	0.9
133.02966	1.7
134.02264	0.6
134.03754	35.5
135.04544	49.0
136.04865	2.1
137.02458	2.5
145.41211	0.4
145.52667	0.4
149.02455	1.8
150.03220	1.4
155.03497	1.6
155.81450	0.5
161.02458	5.5
173.04570	3.8
179.03511	38.8
179.05576	2.9
180.03838	1.5
198.90535	0.5
204.99095	15.5
205.99388	0.8
216.99089	95.2
217.99409	5.3
231.00731	1.2
277.21417	0.5
372.95618	0.5
391.04401	100.0
392.04645	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87871	1.0
54.66909	1.0
55.01868	1.9
57.03458	3.1
58.00587	1.8
59.01386	100.0
59.55322	1.1
60.01738	1.2
67.49220	1.0
68.34008	1.3
70.41302	1.1
71.01390	35.3
72.99325	2.4
73.02951	9.3
83.01403	5.4
85.02965	12.9
86.00099	1.3
87.04505	2.2
89.02460	16.0
93.03450	1.5
93.81657	1.2
95.01404	3.8
99.00896	3.6
101.02457	29.7
102.69670	1.0
111.00859	1.5
111.49443	1.0
113.02454	13.3
119.03543	5.6
121.02988	6.0
122.03767	4.1
123.03600	1.1
123.04536	3.0
131.03520	1.1
132.02209	1.0
133.02966	2.3
135.04526	2.7
136.05321	12.1
137.06096	2.4
138.03223	1.3
141.77217	1.1
143.03481	2.3
149.02481	14.4
149.06219	1.2
150.03241	45.0
151.04047	9.3
151.07539	1.9
159.03029	2.5
161.04587	15.1
164.04822	4.3
165.04178	1.4
165.05586	24.7
179.05594	2.2
180.04327	1.5
181.05063	4.3
195.06645	27.8
196.06879	1.4
228.74786	1.0
254.09309	1.3
283.09674	3.2
284.10666	1.3
311.09219	3.6
331.17542	6.3
343.11893	57.8
344.12320	5.2
391.13943	3.7
391.19376	3.2
391.23346	21.0
391.27277	9.2
392.19147	1.3
392.23730	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	5.0
57.99166	4.2
59.01383	100.0
65.22100	4.3
69.03438	5.0
69.26461	28.1
69.26886	15.1
71.01374	18.1
72.99287	6.2
73.02921	7.9
74.62490	5.0
79.53572	4.5
83.01403	7.7
85.02963	8.7
87.00900	6.0
89.02443	14.0
100.38833	4.9
101.02441	19.9
107.01422	6.1
113.02460	14.0
119.03519	6.1
119.05096	4.8
135.98354	10.6
137.02480	6.5
139.11249	7.1
145.02948	12.1
149.58325	5.6
151.00365	17.6
161.04507	9.7
163.23857	4.4
176.86406	4.4
183.10272	65.8
184.10692	4.9
185.06122	7.6
196.70869	4.6
207.04988	6.0
229.05070	83.5
229.14478	5.5
230.05402	6.7
293.61124	5.3
313.20459	5.0
338.29092	4.8
376.15396	6.3
391.10049	8.6
391.18231	28.8
392.19299	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1765
Annotation	Neocynapanogenin B
Peak:m/z	Relative Intensity
59.01370	8.0
60.78706	1.8
62.63631	1.9
109.02962	22.3
109.03644	3.2
124.00766	3.2
124.01670	56.5
125.02426	7.5
137.02449	31.1
138.03246	12.2
139.04027	79.2
145.06503	1.9
147.08147	2.2
151.00401	2.2
151.04012	5.7
152.01175	27.5
152.04800	12.4
153.01949	42.2
163.03944	3.3
164.04800	34.7
165.05585	28.6
167.03493	32.7
167.07159	5.5
168.03740	2.5
170.02180	3.1
172.47498	2.1
172.75737	1.8
176.04836	2.5
177.09204	1.8
179.07138	15.1
181.05055	3.5
184.03760	3.0
191.07135	12.4
203.86732	1.9
217.00212	2.4
358.14310	6.5
373.16385	13.1
376.15332	18.2
391.17624	100.0
392.02615	4.6
392.17963	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
55.56787	0.8
59.01383	100.0
60.01733	1.1
61.98863	1.0
67.33845	0.7
68.99826	3.9
71.01390	12.0
73.02959	3.6
75.00834	0.8
79.83714	0.5
83.01411	1.4
85.02941	4.1
87.00899	1.0
89.02462	3.3
99.00903	1.2
99.04547	0.8
101.02451	8.6
101.03061	0.9
108.02185	10.9
109.03013	1.6
113.02470	4.4
115.89777	0.5
119.03498	1.2
121.02979	1.5
122.03786	2.9
123.00945	2.5
123.04549	10.4
132.02229	2.2
133.02992	0.8
134.03737	11.3
136.01685	0.8
137.06133	0.6
138.03207	4.0
146.97069	0.5
148.01678	0.6
149.02499	2.6
149.06081	11.3
150.03241	12.0
150.04407	1.0
151.04012	2.1
153.05675	1.0
159.03044	1.5
161.02463	2.4
161.04587	8.1
162.03238	5.2
163.04013	3.9
164.04694	0.6
165.02094	0.7
165.04419	0.8
165.05527	3.8
168.77818	0.7
177.05627	6.0
178.02718	16.2
179.03506	2.5
181.05090	0.8
193.05070	19.2
193.06754	1.1
194.05539	1.2
195.06624	4.7
197.08238	1.5
229.10841	0.9
237.07780	1.3
241.01620	0.7
242.76564	0.7
243.09506	0.9
261.33624	0.7
271.09106	1.1
317.10278	0.8
331.17654	11.4
331.21594	0.7
332.18231	1.0
343.12033	2.4
359.13770	0.8
361.12933	3.2
391.14084	16.0
391.19751	2.9
392.09677	0.7
392.14462	2.6
392.19592	0.8
408.41431	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47096	0.9
57.89720	0.9
59.01384	100.0
59.60110	0.8
60.01704	1.0
61.98824	1.4
67.00395	0.9
71.01386	12.2
73.02937	3.4
73.38735	0.8
74.76714	0.8
78.63672	0.9
83.01382	1.5
84.50726	0.8
85.02974	6.2
85.03399	0.9
86.90822	0.9
87.00871	1.5
87.09057	0.9
89.02443	6.0
93.03471	4.9
101.02443	7.3
113.02461	4.1
119.03528	2.2
121.02976	2.4
122.03723	1.2
123.04507	1.1
135.04527	7.4
149.02431	2.9
150.03250	16.5
151.03714	0.9
161.04565	3.9
162.03131	1.0
165.05563	13.1
166.53242	1.0
168.96429	1.0
173.04561	16.1
177.05643	1.7
179.03535	2.6
179.05469	0.8
180.04213	1.1
188.83980	1.1
191.05618	14.8
191.07217	0.7
192.05930	1.0
193.06107	1.0
195.06616	8.2
207.06439	1.1
217.08601	1.1
219.06592	1.7
232.25334	1.1
249.07729	1.2
271.06088	1.6
293.06696	1.2
295.99106	0.9
299.09390	1.1
313.10825	1.1
331.17682	2.2
343.11899	1.8
353.08835	6.9
373.18887	0.9
391.19623	2.5
391.23792	1.7
393.37363	1.2
394.71161	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34446	1.0
55.27621	1.0
59.01385	100.0
60.01723	2.0
62.43917	0.9
62.90976	0.8
64.81882	0.9
69.15058	1.2
69.15466	6.7
71.01386	6.6
73.02946	1.2
73.95795	1.0
83.01406	1.3
85.02957	2.8
89.02469	5.7
99.00847	1.0
101.02457	5.3
113.02447	3.8
119.03532	1.7
129.93846	1.0
143.20717	1.0
146.06865	1.0
161.04582	2.5
179.05624	1.5
331.88297	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62130	0.8
57.03442	1.1
58.86905	0.9
59.01382	100.0
59.27101	0.8
64.03359	0.8
68.69868	0.8
71.01384	4.6
73.02953	1.6
83.01370	0.9
85.02970	1.6
89.02441	1.0
100.53190	1.0
101.02436	3.5
113.02461	1.7
161.04524	3.4
317.19421	0.9
331.17487	1.7
391.19153	1.3
391.27039	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.2
57.03453	3.3
58.00597	1.7
59.01384	100.0
60.01713	1.5
70.34457	2.2
70.34783	2.2
71.01388	73.2
72.01747	1.2
72.99301	2.1
73.02953	15.9
73.69673	1.1
75.00845	1.1
83.01394	8.0
85.02959	25.8
87.00900	3.1
89.02455	38.7
93.74051	1.2
95.01402	4.7
97.02962	2.0
99.00882	8.0
101.02453	50.9
113.02467	28.1
119.03506	15.0
125.02482	7.7
129.09224	2.2
133.45644	1.0
143.03529	3.5
143.90724	1.0
159.03030	3.9
161.04575	27.9
161.05896	1.7
165.05508	1.0
167.32492	1.2
179.05637	6.7
264.95108	1.2
327.15863	1.3
331.17624	1.4
347.20929	9.0
391.19867	18.6
391.27115	5.6
392.20108	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39016	1.5
54.28714	1.6
55.01877	9.0
57.03447	6.7
58.00598	3.0
59.01091	3.2
59.01384	58.5
62.28929	1.4
70.13148	4.8
71.01387	100.0
72.99303	2.5
73.02953	30.5
75.00884	2.5
83.01392	14.3
85.02953	47.9
87.00900	2.9
89.02460	20.6
95.01385	7.6
97.02967	2.1
99.00880	13.7
101.02454	78.1
113.02456	37.9
119.03500	6.3
129.09215	3.9
143.03574	4.6
159.02997	11.1
161.04572	49.2
167.14386	1.8
235.81487	1.9
347.20798	31.9
391.19742	51.4
392.20087	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54027	1.1
59.01383	100.0
69.18537	9.3
69.18937	2.1
70.00201	1.2
70.61874	1.5
71.01396	7.4
86.76245	1.3
89.02463	12.1
94.10663	1.3
101.02455	4.4
106.05948	1.3
113.02488	2.6
119.03499	4.8
156.10243	1.6
161.04617	1.3
174.04152	1.3
174.57132	1.2
177.82275	1.3
179.05600	2.9
224.70087	1.3
264.65973	1.6
331.17526	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.7
59.01384	100.0
69.95177	3.1
69.95537	3.1
70.91508	1.5
71.01387	19.7
73.02940	5.4
75.00862	1.6
78.12282	1.4
85.02956	8.2
87.04507	5.1
89.02444	9.2
89.45427	1.3
93.22143	1.4
99.00876	1.8
99.60901	1.4
101.02448	17.6
112.11900	1.4
113.02471	9.7
119.03500	5.1
119.41951	1.5
122.49830	1.4
151.85374	1.4
159.03012	1.8
161.04521	10.2
169.12347	2.3
227.14098	1.7
331.17737	3.8
391.26743	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.3
57.03447	5.0
58.00602	2.8
59.01384	83.3
60.01711	0.9
69.03462	0.9
69.04069	4.0
69.04487	2.1
71.01385	100.0
71.05059	0.7
72.01735	1.7
72.99321	3.8
73.02950	26.0
74.03282	0.8
74.99121	0.9
75.00893	1.8
83.01386	12.0
83.05080	0.7
83.11900	0.6
85.02955	40.9
86.03302	1.5
87.00875	5.0
89.02448	47.9
90.02782	1.1
93.03473	0.6
95.01398	7.2
97.02962	2.5
99.00893	9.5
101.02448	80.9
102.02795	2.0
108.02165	0.9
110.04750	0.5
113.02456	44.3
114.02811	1.7
115.04035	0.9
119.03508	21.1
119.04352	1.0
120.99713	0.8
123.00848	1.2
123.04535	0.9
125.02466	2.6
129.01953	1.4
131.03529	2.6
135.98399	0.7
136.99190	0.6
143.03520	6.1
149.04597	1.9
150.03258	1.9
151.03992	0.9
159.03004	10.2
160.03491	0.6
161.04567	46.0
162.04924	1.7
165.05576	1.6
167.10721	1.1
179.05641	5.4
193.05046	0.9
195.06725	0.9
205.03619	1.3
211.09819	0.7
216.09053	0.7
227.16589	1.3
229.10730	1.3
229.18063	3.5
287.09262	2.3
289.20282	0.8
317.10352	1.9
343.11777	3.1
361.12927	0.7
391.14667	1.6
391.23383	51.9
392.23840	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
69.01263	1.2
69.01682	2.7
87.85741	0.5
93.03444	2.6
96.06099	0.5
99.79868	0.5
123.38403	0.5
135.93234	0.5
139.04056	2.9
167.03500	9.2
168.03871	0.6
179.03525	0.8
181.05075	0.8
191.10736	0.9
219.10254	0.7
231.12691	0.5
237.11278	0.5
238.00296	0.5
251.40855	0.4
291.16104	0.7
305.21252	0.6
333.20734	17.3
334.21494	100.0
335.21866	11.6
376.22629	7.6
377.22815	0.7
391.11002	1.0
391.24911	6.0
392.25339	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41265	0.7
59.01381	17.6
60.05785	0.6
61.98833	100.0
62.05267	0.8
66.48421	0.7
69.19192	1.3
69.19601	3.9
71.01397	1.0
72.69209	0.9
72.80608	0.6
73.02946	0.8
74.26511	0.6
83.01385	1.5
89.02470	1.6
101.02489	1.2
112.42145	0.6
113.02462	0.9
123.04541	9.2
125.02451	1.2
135.04535	0.9
149.02544	1.1
150.03242	1.0
151.04008	0.8
161.04646	0.9
164.04832	1.6
165.05620	2.4
167.03508	32.4
168.03876	1.2
178.17389	0.6
179.07253	1.2
191.03517	9.0
191.05466	1.2
209.04672	2.7
218.27440	0.7
243.03276	1.0
286.79050	0.7
329.08777	11.6
329.12241	0.8
330.09067	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87427	5.9
59.01380	100.0
64.46177	7.0
69.30051	12.7
69.30474	32.2
71.01392	33.0
85.02968	7.7
85.18700	5.6
89.02435	31.8
101.02467	25.4
113.02451	14.7
119.03512	16.0
125.99264	6.1
130.80783	6.3
161.04605	10.3
179.05646	7.5
231.03046	18.4
331.54501	6.6
349.18738	26.8
393.17377	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80062	2.3
59.01383	51.0
60.01701	3.6
61.25592	2.4
69.10215	17.1
71.01376	12.6
76.01939	2.3
84.04538	4.3
85.02965	3.8
89.02441	8.1
89.86161	1.9
92.96142	2.0
98.21793	3.8
101.02440	7.7
102.05618	67.0
102.93478	2.2
108.04607	2.8
108.05930	2.0
109.02900	2.8
110.06114	5.1
113.02462	6.8
113.06067	2.2
119.03494	5.7
125.06076	4.5
128.03554	24.9
136.05318	5.3
139.07657	4.6
146.04636	6.6
151.07655	7.6
161.04568	7.5
163.07590	3.3
165.09251	2.8
175.07570	2.5
179.05618	4.3
195.06618	7.2
201.12872	6.7
203.10881	4.0
204.11540	5.4
219.13936	9.2
230.09523	3.0
245.11891	6.1
263.12955	7.7
332.17932	2.9
348.18280	6.3
349.18585	11.1
351.30453	2.7
360.30341	2.5
374.16122	12.0
387.87140	2.5
392.17206	100.0
392.27618	3.4
393.17801	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.7
55.99083	2.5
57.03440	3.1
59.01386	75.3
68.01447	2.9
69.03474	2.5
71.01387	92.7
72.01704	3.1
72.99304	4.1
73.02955	20.9
77.84754	2.7
81.03436	2.7
83.01404	7.4
85.02945	29.1
85.90742	2.6
87.00875	6.3
89.02448	54.3
92.68262	2.5
93.03443	5.2
93.35614	2.4
95.01393	3.0
97.02953	8.0
98.22543	5.8
99.00879	10.7
99.92615	5.9
101.02451	46.5
102.64545	2.3
108.02149	3.4
113.02461	28.5
115.92070	11.7
116.92875	9.9
117.03455	2.9
119.03525	8.8
119.04994	17.8
125.02460	24.0
131.03514	8.4
134.03731	3.0
135.04572	18.4
143.03502	9.3
145.02980	5.0
149.04524	9.0
159.03018	4.7
161.04576	100.0
163.04016	10.7
176.04008	43.0
179.03484	16.0
188.05594	21.1
191.05617	7.3
193.05000	4.0
210.97105	5.6
219.97752	4.1
228.98097	11.5
257.90192	2.8
260.11270	5.8
262.96484	3.7
263.96674	13.4
293.08786	11.6
301.10678	3.1
336.31796	2.6
345.13358	6.2
349.18747	10.4
357.00833	3.8
392.01343	6.9
393.17657	7.6
407.00958	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01141	1.7
59.01387	21.5
61.98834	91.7
67.01910	1.5
69.98915	1.3
71.01389	19.4
71.30354	1.7
72.99289	2.6
73.02928	4.2
74.73302	1.5
75.00873	1.8
78.71553	1.4
83.01404	2.1
83.05021	1.8
85.02948	9.3
87.00873	4.1
89.02438	10.2
91.05551	2.3
92.05860	1.5
93.03461	5.7
94.03816	2.3
99.00870	2.6
99.04536	2.9
101.02424	11.1
105.32178	1.4
107.05026	5.8
108.05357	2.6
109.02968	1.7
111.04513	3.3
113.02436	8.1
119.03507	3.5
121.02914	1.4
123.04540	3.1
125.02460	2.0
134.03709	5.0
135.04541	100.0
136.04866	90.5
137.05078	2.2
143.03481	1.8
149.02434	11.8
150.03233	10.5
155.03464	4.0
156.03854	1.7
159.04564	1.8
161.02405	1.8
161.04593	10.1
162.02834	1.5
163.04019	2.6
164.04796	4.4
165.05540	9.3
167.03510	5.4
173.04567	14.2
174.04901	8.8
179.03506	26.5
179.05774	2.7
180.03835	30.8
181.03966	4.0
187.13217	1.6
191.05632	29.0
192.06000	16.8
193.06119	1.9
195.06583	11.6
213.07483	2.0
219.06567	1.6
231.08647	2.2
268.11710	2.8
330.11411	5.7
345.13391	9.6
347.17126	1.7
349.18649	16.0
354.09134	38.0
355.09283	4.1
356.09595	4.0
392.06485	6.2
392.15796	7.0
393.12704	2.7
393.17578	9.5
393.21985	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14383	4.3
58.79394	3.8
59.01387	100.0
60.01694	7.7
61.98840	4.8
69.62115	27.7
71.01397	36.3
72.42248	4.3
72.97612	4.5
72.99318	5.3
73.02935	7.0
74.29486	4.2
83.01334	5.7
85.02945	18.3
87.00890	6.8
87.67441	4.5
89.02444	17.5
93.03477	5.5
99.92579	24.3
101.02433	22.8
113.02442	15.8
115.92078	16.5
116.92879	10.9
119.04997	6.3
136.01598	4.9
149.02498	8.0
149.06021	5.9
161.04582	31.7
162.04846	4.4
165.05557	11.2
173.04572	6.1
191.05594	22.1
195.06622	14.3
199.56232	4.9
219.97720	5.1
231.10591	5.6
241.04993	6.7
263.96747	13.5
271.09888	10.0
333.19260	6.7
349.18652	34.9
350.18796	7.5
393.12369	6.3
393.17383	9.3
403.32010	6.3
406.73547	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87427	5.9
59.01380	100.0
64.46177	7.0
69.30051	12.7
69.30474	32.2
71.01392	33.0
85.02968	7.7
85.18700	5.6
89.02435	31.8
101.02467	25.4
113.02451	14.7
119.03512	16.0
125.99264	6.1
130.80783	6.3
161.04605	10.3
179.05646	7.5
231.03046	18.4
331.54501	6.6
349.18738	26.8
393.17377	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
63.63956	4.7
65.45299	4.3
66.92451	4.9
71.01392	56.1
71.32066	5.8
73.02952	10.4
83.03861	4.0
85.02963	11.7
89.02452	43.5
93.03482	5.3
93.27679	4.6
101.02448	40.6
102.05632	47.3
110.06149	4.1
113.02487	22.8
119.03498	25.1
128.03564	22.2
131.03491	5.5
143.03487	7.1
161.04539	30.2
170.06911	4.9
179.05605	13.5
187.13461	5.2
191.05728	5.5
204.11577	5.8
219.13800	6.2
241.81516	4.8
245.11957	6.2
247.14659	4.2
263.12915	4.9
349.18805	50.6
350.19003	5.0
374.16116	9.4
392.17154	65.6
392.27536	8.6
393.17123	8.7
393.21527	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06484	26.1
58.44829	29.9
61.98836	100.0
70.82219	29.4
117.33829	41.7
143.50040	30.2
260.48965	33.2
320.85315	34.9
379.75137	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71613	0.9
59.01374	1.9
68.58994	1.1
69.97440	3.3
69.97789	1.2
89.02482	1.0
89.54743	0.9
92.14323	0.9
93.03467	3.1
95.05013	1.3
107.32936	0.9
121.02985	8.9
121.17418	1.0
121.67956	0.9
122.03799	6.3
123.04501	1.0
132.02159	1.8
134.03751	8.2
135.04561	6.7
149.02451	89.0
149.06087	12.6
150.03249	54.0
151.03799	1.7
162.03287	1.6
164.04802	17.1
165.05580	48.6
166.05945	2.3
177.05551	1.5
180.04294	3.4
195.06636	26.8
253.05116	1.3
256.07291	1.1
269.08151	1.2
285.07770	8.0
286.08295	1.3
330.11127	18.1
331.11508	2.6
345.13446	100.0
346.13763	9.9
387.91461	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	4.7
59.01384	100.0
60.01690	2.2
71.01388	68.5
71.31299	4.5
72.99315	5.3
73.02954	21.0
83.05032	2.8
85.02950	17.5
87.00893	6.4
89.02452	72.4
93.03475	9.5
93.13336	2.0
95.01402	6.0
96.96024	3.2
99.00893	73.1
101.02449	32.8
111.04562	2.8
113.02464	38.3
115.00400	5.4
119.03521	23.5
119.05019	7.5
123.92463	2.2
131.03528	12.0
132.20335	2.3
135.04549	3.2
143.03514	4.8
149.04573	32.3
159.04539	2.2
161.04555	18.1
163.03976	6.1
173.04568	16.3
177.27544	2.6
179.05603	8.3
187.07584	2.2
191.05621	56.6
217.08655	3.4
219.06644	6.4
233.06679	4.0
250.06232	2.7
279.07251	2.3
279.10345	5.4
323.12854	9.1
349.20352	3.8
354.09445	2.7
393.17776	42.7
394.18982	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	4.7
59.01384	100.0
60.01690	2.2
71.01388	68.5
71.31299	4.5
72.99315	5.3
73.02954	21.0
83.05032	2.8
85.02950	17.5
87.00893	6.4
89.02452	72.4
93.03475	9.5
93.13336	2.0
95.01402	6.0
96.96024	3.2
99.00893	73.1
101.02449	32.8
111.04562	2.8
113.02464	38.3
115.00400	5.4
119.03521	23.5
119.05019	7.5
123.92463	2.2
131.03528	12.0
132.20335	2.3
135.04549	3.2
143.03514	4.8
149.04573	32.3
159.04539	2.2
161.04555	18.1
163.03976	6.1
173.04568	16.3
177.27544	2.6
179.05603	8.3
187.07584	2.2
191.05621	56.6
217.08655	3.4
219.06644	6.4
233.06679	4.0
250.06232	2.7
279.07251	2.3
279.10345	5.4
323.12854	9.1
349.20352	3.8
354.09445	2.7
393.17776	42.7
394.18982	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.2
57.03458	1.9
58.00603	3.6
59.01381	100.0
60.01714	0.9
69.03453	1.2
69.43807	3.7
71.01386	49.8
72.99312	5.9
73.02948	27.3
75.80474	0.8
83.01407	4.9
85.02954	15.7
85.03419	1.1
86.00103	1.3
87.00871	10.2
87.04520	3.5
89.02448	48.3
90.02795	1.2
95.01415	2.3
97.02959	1.4
99.00908	1.2
99.04574	0.8
101.02447	56.7
102.02829	1.1
103.04017	19.0
103.04666	1.2
113.02457	13.1
113.03169	1.0
115.04028	6.5
116.63993	0.7
119.03504	20.8
121.03015	0.7
125.02406	3.6
126.29419	0.8
126.43211	0.7
127.04074	2.2
131.03497	10.8
135.04532	1.7
143.03513	13.6
145.05093	5.5
149.02496	2.7
149.04521	1.0
150.03252	2.1
153.13684	0.8
161.02499	1.2
161.04608	3.6
163.06129	40.2
164.04898	0.9
164.06435	1.4
165.05588	2.5
179.05576	5.8
195.06557	1.3
202.50023	0.7
205.05251	1.9
205.07176	29.5
206.07561	1.6
231.03033	2.0
247.11819	4.0
265.09338	2.0
338.83490	0.7
345.13593	1.7
393.17636	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84023	1.1
59.01383	100.0
60.01731	1.9
71.01389	4.9
71.29583	1.4
73.02950	2.5
83.01374	1.2
85.02946	1.8
89.02451	2.4
101.02447	4.2
113.02446	2.8
121.02996	1.3
123.00923	1.0
135.04550	4.9
149.02461	13.6
150.03241	9.9
161.02521	1.7
161.04607	3.3
164.04813	32.2
165.05588	22.1
171.10277	8.0
178.53778	1.0
179.05550	1.4
179.07141	22.9
180.07483	1.4
214.62321	1.1
231.02975	3.6
243.03139	1.1
256.06943	0.9
333.19370	6.3
393.06140	1.3
393.16983	0.9
394.18692	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16617	1.9
59.01385	100.0
60.01720	2.1
63.27825	1.8
69.00871	13.4
69.01282	3.6
71.01378	9.5
73.02936	2.9
84.43539	1.6
85.02957	2.7
88.15511	1.5
89.02440	6.3
101.02445	5.8
104.43479	1.4
113.02428	4.4
119.03471	3.8
161.04550	7.1
193.93695	1.7
333.19101	5.1
393.21027	3.0
401.94769	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24608	79.6
62.03097	71.2
67.12894	68.1
71.29216	100.0
91.83238	82.5
96.96063	89.1
97.46159	73.8
102.29549	78.4
165.41611	73.6
179.72893	69.9
187.84395	85.4
206.28905	97.0
270.35840	76.8
393.34070	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61124	0.8
57.64484	0.8
60.99287	2.3
69.48544	4.1
89.86494	0.7
92.59348	0.8
93.40942	0.7
98.22499	1.6
116.92831	1.2
128.53004	0.8
130.78691	0.7
201.62805	0.7
253.63188	0.8
266.97910	0.7
311.40979	0.8
329.32031	1.3
345.31711	3.4
347.33368	4.3
349.34781	100.0
350.35086	13.6
363.32755	6.2
393.33752	71.7
394.34097	11.1
414.57492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
62.12593	16.4
66.83192	13.4
69.39684	100.0
78.10657	13.9
132.38921	14.7
223.78635	15.6
253.38266	17.6
416.65491	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43585	2.9
57.51479	3.0
60.99319	14.8
69.58356	15.8
88.98815	100.0
89.99170	4.0
128.83200	3.0
182.58919	2.7
197.04584	3.8
222.03006	3.1
256.93063	8.3
313.13055	3.0
356.87970	3.1
394.96127	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50672	27.8
57.07016	29.7
59.01377	100.0
71.01403	45.2
73.02948	65.2
75.41254	34.6
86.09572	29.4
89.02480	34.4
101.89010	30.6
115.55553	33.8
136.15802	30.8
154.61443	34.7
163.03986	71.9
215.09285	67.8
354.85278	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90787	3.0
58.00584	3.1
59.01384	51.1
61.98815	3.6
63.47968	3.0
70.86694	3.1
71.01391	27.6
71.29463	3.2
71.29900	3.1
72.99306	3.3
73.02949	100.0
78.95906	2.9
79.05551	3.9
81.13790	3.4
85.02978	8.3
87.00883	6.4
89.02455	17.0
93.03456	4.3
96.96963	3.9
97.06647	3.6
100.67688	3.3
101.02477	15.1
101.04333	10.4
113.02475	10.8
119.03549	6.6
119.05035	14.7
134.03564	3.2
141.05600	14.3
145.02969	3.2
153.09245	7.3
154.74789	2.8
155.54572	2.9
161.04590	12.6
163.04027	24.7
164.04709	8.4
168.06441	4.1
171.10283	60.7
173.04654	3.9
176.04713	4.6
179.05714	3.1
179.07179	11.7
185.02309	2.8
191.05620	13.9
212.90607	3.6
215.09248	96.3
219.05414	3.1
228.00539	3.0
233.10381	8.0
335.17197	4.9
337.09302	4.4
349.18726	10.3
359.07681	9.3
395.10837	6.6
395.15536	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
59.01382	18.8
60.82755	0.9
61.62508	1.0
65.74137	0.9
70.53030	2.6
71.01392	11.6
72.99320	1.4
73.02952	91.1
74.67829	0.9
79.05534	4.5
85.02969	1.7
87.00887	1.2
89.02453	8.5
95.05018	2.2
96.96970	1.5
97.06614	6.1
101.02449	3.8
111.04504	1.0
113.02431	3.3
119.03535	1.4
119.05034	15.3
141.05591	17.0
145.02959	1.6
153.09241	6.4
158.01814	1.1
163.04012	21.0
163.05246	1.7
164.04393	1.1
171.10280	60.6
172.10632	3.5
173.04578	2.8
173.08173	1.6
185.02205	3.1
191.05667	4.6
197.08215	1.4
215.09251	100.0
216.09564	7.1
231.32602	1.0
233.10320	3.7
335.13394	1.7
337.09177	5.0
359.07510	13.7
387.56818	1.1
395.04498	1.8
395.15601	16.8
396.15619	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	30.5
69.01187	18.2
69.01492	1.7
71.01385	23.9
72.99332	2.9
73.02943	10.7
75.00874	11.5
75.45090	1.4
82.96492	1.5
85.02967	7.6
89.02451	39.5
95.01383	2.4
98.21711	2.9
99.00887	27.8
101.02456	7.0
101.06088	100.0
102.06410	1.9
113.02455	15.0
115.07666	3.0
119.03499	2.6
131.03506	5.6
143.03516	2.7
143.07153	6.0
149.04570	21.0
161.04547	4.2
173.08185	3.6
185.08238	7.9
191.05653	9.7
233.06635	4.3
261.28027	1.5
274.34183	1.6
275.11444	2.1
279.14658	1.7
375.65668	1.6
395.19144	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1901
Annotation	3beta-Hydroxypregn-5-en-20-one sulfate
Peak:m/z	Relative Intensity
65.86745	0.5
69.04227	7.0
69.04539	0.6
79.95760	2.0
82.90620	0.6
93.84257	0.6
96.96020	100.0
97.95916	0.9
221.17830	0.6
320.33380	0.6
385.38104	0.6
395.18985	91.7
396.19324	11.8
416.45676	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62617	0.7
55.01882	5.7
57.03453	4.5
58.00586	1.5
59.01385	41.9
59.75113	0.7
60.01738	1.1
69.03438	1.3
70.82756	1.9
71.01389	41.7
72.99299	2.2
73.02955	22.0
81.03452	1.0
83.01395	18.7
85.02962	27.3
85.06573	1.1
86.00119	1.9
86.03344	1.1
87.00895	3.1
89.02457	4.9
95.01395	4.6
97.02966	1.6
99.00893	6.7
101.02454	57.8
103.04006	2.0
111.00887	1.5
113.02461	19.8
119.03477	1.2
123.50497	0.8
123.84337	0.9
125.02458	2.7
129.01973	1.9
131.03540	1.5
143.03514	3.6
159.02977	2.7
161.04570	22.9
191.05559	1.2
211.29971	0.9
247.08246	0.9
249.13446	100.0
250.13832	7.3
263.15036	4.2
385.45221	1.0
395.19275	18.9
396.19333	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	3.0
57.03439	4.4
58.00592	3.0
59.01384	100.0
63.81083	2.2
67.74647	2.4
69.02512	23.9
69.02827	3.6
71.01398	26.1
73.02947	8.1
83.01401	4.5
85.02980	13.1
87.00858	2.9
89.02448	17.4
95.01371	2.7
98.44958	2.5
101.02448	27.4
113.02441	15.8
119.03509	6.0
127.11269	3.7
130.35536	2.1
131.03552	3.4
161.04578	6.9
173.11835	83.5
174.12184	2.4
179.05591	3.3
187.13312	3.6
188.91127	2.4
191.05676	12.2
194.39055	2.3
263.14996	44.5
395.17487	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.3
57.03453	2.8
58.00586	1.2
59.01383	30.9
66.99966	0.4
68.83911	0.5
69.03446	1.1
71.01389	37.4
71.05011	1.0
72.99302	1.7
73.02953	20.6
75.00887	1.0
81.03465	0.7
81.39095	0.4
83.01395	17.1
85.02957	23.7
85.06606	0.7
86.00085	0.9
86.03281	0.7
87.00896	2.8
87.08163	0.8
89.01234	0.4
89.02455	5.1
95.01382	2.8
97.02964	1.5
99.00893	6.8
101.02452	55.0
102.02810	0.8
103.04015	1.7
111.00904	1.4
113.02460	16.4
115.70488	0.5
119.03498	1.6
125.02464	1.9
129.01952	1.5
131.03508	0.5
141.01936	0.7
143.03497	2.5
145.05043	0.8
159.03000	3.7
161.04572	20.7
162.04907	0.9
163.06155	0.7
205.03560	0.7
229.06958	0.7
247.08331	0.8
249.13446	100.0
250.13791	6.3
293.12613	0.9
336.81583	0.4
351.15018	0.4
395.19260	21.7
396.19507	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2075
Annotation	CHEBI:69890
Peak:m/z	Relative Intensity
55.01884	7.5
56.99783	0.5
57.03456	5.8
58.00613	1.5
59.01384	27.9
59.25391	0.6
59.66675	0.7
60.99945	0.7
67.01882	0.7
69.03455	1.5
71.01387	100.0
71.30811	0.7
72.01723	1.7
72.99306	4.9
73.02953	35.1
75.00884	1.8
81.03455	1.0
83.01392	17.5
84.01700	0.7
84.02171	0.8
85.02957	49.2
86.00119	1.0
86.03309	0.9
87.00883	4.4
88.10005	0.7
89.02459	5.6
92.71325	0.5
95.01401	6.8
97.02950	2.9
99.00895	14.7
101.02451	84.8
102.02798	1.6
111.00906	1.0
113.02459	44.5
114.02814	1.0
125.02431	3.1
129.01955	2.6
129.27272	0.6
131.03528	0.7
139.00418	0.9
143.03499	5.4
159.02998	11.2
161.04572	57.8
162.04854	2.7
201.12787	0.9
205.03429	2.6
233.15482	2.2
252.09776	0.6
303.16040	0.7
350.22131	0.6
395.20767	13.3
396.20969	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71413	0.8
62.26769	0.8
63.80845	0.8
70.48581	2.6
73.50926	0.8
90.57497	0.9
95.87286	0.8
107.32726	1.0
138.73494	1.0
153.10245	0.9
349.34790	17.7
350.35037	2.4
395.35318	100.0
396.35706	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05336	8.6
53.65973	9.5
54.59020	9.3
59.01358	10.7
60.92418	9.6
66.30730	10.0
69.13774	100.0
87.83347	8.7
90.62756	9.0
93.71464	10.2
105.77724	8.8
205.01404	15.3
244.42746	10.8
261.14725	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
64.24369	44.4
76.91920	49.6
79.41796	42.7
98.21722	100.0
131.76805	40.9
175.78757	41.7
197.57394	46.9
202.04074	50.5
202.19954	53.7
229.20435	51.0
397.22827	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0116
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20960	1.6
59.01390	14.8
62.18329	1.7
62.60723	1.7
68.99567	9.5
71.01391	5.5
71.29021	2.9
72.99326	8.8
74.99374	4.5
83.01401	5.1
83.31487	1.6
85.01470	7.9
89.00906	1.7
93.03458	2.5
98.99374	2.1
99.00900	3.5
101.00926	11.1
101.02460	2.6
102.98868	3.1
109.03000	2.0
111.00903	7.0
112.98577	15.5
114.01057	1.9
115.02482	2.9
117.00456	23.1
118.00584	2.7
123.03059	5.6
124.98843	2.4
125.00948	19.9
126.98875	9.6
127.02531	4.8
129.00435	3.7
130.08829	2.5
137.02455	7.4
137.97493	2.2
139.02554	4.5
140.98277	2.1
141.00459	19.7
143.02031	15.4
144.99933	2.6
147.03044	2.2
149.00951	5.3
151.02458	3.5
155.02084	4.1
157.03584	44.9
158.03824	3.0
159.01472	13.1
161.01109	2.8
167.02005	24.5
168.02161	4.0
168.99945	25.6
169.03596	3.8
170.97868	6.7
171.01544	2.8
177.00453	2.6
183.01489	7.5
191.02028	3.1
192.99915	5.1
193.03590	5.8
196.99623	1.9
198.97600	2.9
198.99530	7.8
199.01120	3.3
199.99496	2.7
208.97864	10.7
209.98027	2.3
211.01006	57.2
212.01189	6.6
217.00612	2.2
222.99500	1.9
225.01044	6.5
226.98705	3.8
227.00644	4.9
230.00662	1.9
237.02548	4.4
241.00560	37.0
242.00717	6.3
243.02049	4.6
245.00160	1.8
250.99014	24.8
251.02797	3.4
251.99190	3.5
254.99861	16.2
255.03609	8.0
256.00217	2.8
259.01608	5.8
265.00763	2.4
267.01944	4.1
268.99911	3.3
271.01480	3.2
281.00150	3.2
283.01691	26.4
284.01642	4.2
285.03183	4.9
293.00073	100.0
294.00284	19.2
306.98093	2.1
308.99576	35.3
309.99750	7.1
311.01108	10.9
312.01492	1.9
319.01486	3.2
323.01404	2.6
325.99728	8.6
327.00391	2.2
336.98993	18.6
337.02585	3.3
337.99188	4.2
349.27322	1.8
355.00067	3.8
355.04047	3.6
369.01529	2.3
372.68121	2.2
397.04855	6.9
397.09940	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49027	1.2
59.01369	8.6
61.98818	2.4
70.88828	1.3
71.00901	1.6
71.01378	10.0
72.99295	2.2
73.02941	2.4
75.99038	1.2
78.95911	7.1
85.02976	1.5
87.00893	8.5
87.15359	1.2
89.02456	4.1
90.26208	1.2
91.36081	1.3
92.05084	2.0
92.24168	1.2
93.03468	5.8
95.01392	2.7
96.96977	8.8
97.15331	1.1
99.00887	1.5
101.00978	1.5
101.02450	3.6
108.02186	17.5
108.04588	11.0
109.02969	22.6
111.00939	1.5
113.01064	1.7
113.02501	2.9
117.00454	4.6
117.05624	2.0
119.03486	1.7
120.04536	1.2
125.00980	1.8
130.06569	1.6
135.04509	2.3
137.02458	17.7
144.04567	2.8
146.02419	1.4
146.06163	1.6
147.03043	18.2
147.91087	1.2
148.04080	3.6
149.00957	30.2
149.02101	2.5
150.01118	2.4
151.02484	2.0
152.01144	7.8
153.01935	20.4
155.01924	1.9
156.04666	1.4
161.04538	1.6
163.04108	1.3
163.99733	4.5
164.03317	1.9
166.01234	19.4
166.53143	1.3
167.02037	18.0
168.02170	1.9
169.03574	1.8
173.04561	1.3
174.05586	4.4
177.00421	1.6
183.01424	2.3
190.01317	2.9
191.02028	27.5
191.05710	2.5
191.99202	15.5
192.02196	3.1
192.06685	4.0
192.99951	29.1
193.03592	5.1
194.00067	2.7
195.01518	4.0
208.02287	53.5
209.02696	5.3
218.04582	2.6
219.01442	6.7
220.02022	1.5
228.76028	1.3
234.00212	63.3
235.00996	66.3
235.04657	2.8
236.01199	8.7
243.03680	4.5
247.00977	2.6
249.02568	1.8
249.06137	3.5
255.03615	11.0
263.00452	2.6
281.99829	1.3
292.99890	1.6
293.05042	1.7
315.07358	14.4
316.75833	1.4
319.01660	1.9
337.04169	100.0
338.04385	14.2
355.03851	1.8
383.71667	1.3
397.06253	53.0
398.06415	7.3
398.11041	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1146
Annotation	4-sinapoylquinic acid
Peak:m/z	Relative Intensity
56.38173	0.6
56.38538	0.6
57.07188	0.6
58.70046	0.6
59.01381	5.0
61.98834	1.0
63.14458	0.6
69.31281	3.6
69.31687	1.2
71.01373	2.7
73.02908	0.7
74.99102	1.3
83.05012	0.8
85.02956	1.3
85.06585	1.4
89.02460	1.4
91.05529	1.1
93.03456	3.1
93.87575	0.7
99.00885	0.8
101.02418	1.3
109.02977	1.7
111.00838	0.7
111.04546	3.0
115.00371	1.2
115.04018	1.7
115.92127	1.1
117.03456	1.0
119.03477	0.8
119.05002	0.9
121.02956	9.9
122.03278	0.7
132.02199	2.3
141.25346	0.6
146.08261	1.6
147.04556	6.0
148.04900	0.7
148.44467	0.7
149.02449	73.2
149.06073	5.0
150.02745	3.6
151.04057	0.8
155.03471	4.0
161.02522	1.2
161.04564	1.0
163.04019	1.3
164.04802	58.4
165.05090	3.3
170.23895	0.7
173.04588	5.5
175.04044	1.3
177.01953	1.3
179.07135	4.9
189.07661	1.4
191.05591	5.9
199.09741	0.8
219.02939	2.3
221.07591	0.6
223.06123	100.0
224.06476	5.9
237.01906	0.7
237.04012	3.2
277.12476	1.0
337.05765	3.4
337.18698	2.9
397.11188	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30347	2.0
50.88631	2.1
55.01875	7.1
57.03441	6.2
58.00579	3.2
59.01381	62.1
60.01701	2.4
67.98925	2.2
69.03458	3.0
69.11399	20.1
70.14806	3.1
71.01387	100.0
72.99330	4.5
73.02945	34.2
76.26044	2.2
80.22839	2.3
81.15389	2.7
83.01388	20.8
85.02956	62.5
86.00074	2.7
86.51302	2.3
87.00884	4.8
89.02446	19.0
90.83114	2.7
95.01398	9.2
97.02962	2.7
99.00891	12.7
101.02451	92.6
113.02454	48.9
119.03491	6.7
125.02480	3.2
129.01950	4.9
134.03735	9.6
143.03491	5.7
149.06071	2.3
159.02997	10.1
161.04585	35.4
171.27049	2.2
181.35344	2.2
191.07094	2.7
193.05104	14.4
218.43707	2.2
232.77586	2.3
235.11858	66.2
285.28912	2.7
354.67667	2.4
397.17188	72.0
398.17569	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.5
57.03442	7.1
58.00596	2.9
59.01383	47.1
66.16306	1.4
68.56253	1.5
69.31960	6.6
69.32371	5.1
71.01388	71.0
72.99322	3.0
73.02948	26.8
75.00874	2.8
81.03432	1.6
83.01398	16.6
85.02956	46.6
87.00880	6.2
89.02448	18.6
95.01405	7.1
97.02927	2.4
99.00893	8.3
101.02451	100.0
109.27034	1.6
109.89563	1.5
111.16599	1.4
112.78071	1.5
113.02460	34.8
117.11575	1.6
119.03493	8.3
119.04998	4.8
125.02450	2.8
129.01944	3.6
131.03474	2.1
134.03763	3.0
143.03462	3.9
159.03004	6.5
161.04564	30.6
162.04836	1.6
163.03990	8.4
164.04784	1.6
179.05583	3.5
191.05696	1.9
193.04948	4.0
223.06114	3.2
235.11874	63.9
236.12172	4.2
280.10272	1.7
337.09171	1.5
397.11823	2.3
397.17126	36.7
398.17499	3.3
405.64883	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	11.1
57.03442	8.0
58.00587	3.6
59.01090	3.3
59.01383	63.8
69.31444	5.7
69.31860	8.8
71.01389	74.2
72.99309	5.3
73.02956	31.2
79.81965	1.6
83.01400	19.3
85.02959	40.9
87.00870	6.3
89.02454	25.3
95.01408	9.0
97.02934	2.7
98.22474	3.0
99.00876	12.2
101.02451	100.0
102.02783	3.3
104.84866	1.9
111.00784	2.6
113.02450	32.5
119.03527	6.0
121.02894	2.3
125.02443	1.8
129.27104	1.8
130.06638	2.0
134.03790	2.4
143.03520	5.4
145.02983	2.1
149.02425	2.6
159.02945	3.4
161.04576	24.8
162.04971	3.0
175.04080	2.2
179.05647	3.7
193.05052	5.6
215.05688	2.5
234.94348	2.0
235.11903	70.9
236.12321	3.3
284.59747	1.8
347.32260	2.1
397.11951	4.6
397.17130	54.8
398.17490	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.5
58.44195	1.7
59.01386	100.0
60.54586	1.6
61.98838	2.6
66.87599	1.6
68.26015	1.5
68.99719	1.6
71.01389	39.1
71.30756	2.2
73.02943	9.0
75.00873	2.3
83.01398	4.8
85.02962	24.2
86.99198	1.7
87.00843	2.2
89.02450	12.8
95.01387	2.5
99.00893	5.3
99.04471	1.7
101.02444	29.2
106.06644	6.1
111.00871	2.8
111.49127	1.5
113.02447	15.0
119.03516	4.3
119.04961	1.8
125.02517	2.6
129.01933	3.6
132.04588	2.9
135.04555	2.3
145.02977	1.8
146.09735	1.9
149.02422	5.0
149.06062	1.7
159.03035	3.0
161.04567	25.5
164.04889	2.3
173.04619	2.0
174.09294	4.9
175.13316	2.6
190.08749	5.6
191.02028	2.8
191.05608	2.6
199.09781	2.2
218.08260	9.1
223.06133	5.0
235.28584	1.8
236.09297	6.2
337.18686	44.9
338.19122	4.6
398.06958	2.3
398.14508	41.9
398.19550	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
57.03438	1.2
61.98836	0.9
63.35045	1.0
64.24993	0.6
69.03459	0.8
69.05041	5.0
73.77156	0.7
81.03456	1.1
83.05031	2.7
90.79762	0.8
95.05048	1.3
97.06593	6.3
98.21734	1.4
99.08167	1.0
103.55280	0.6
107.48213	0.6
111.08161	6.3
113.09709	1.2
123.66597	0.7
125.09769	0.8
131.03519	0.6
139.11209	0.8
153.01936	3.3
173.22952	0.6
177.72571	0.6
188.88185	0.6
203.18060	0.9
219.17599	2.1
221.19113	79.8
222.19437	6.5
224.71136	0.7
233.15414	0.7
237.22305	4.4
238.04971	0.7
251.20148	2.1
265.18143	5.5
265.21762	10.8
266.18546	0.8
266.22253	1.1
277.18298	0.7
277.21707	1.3
291.23309	0.9
293.17630	100.0
293.21136	9.4
294.17957	10.5
294.21368	1.2
320.20084	1.1
321.20731	16.7
322.21033	1.6
337.20264	1.6
397.22485	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2235
Annotation	Neorustmicin B
Peak:m/z	Relative Intensity
55.01871	5.7
57.03457	4.5
58.00597	3.6
59.01384	72.5
69.17414	0.9
71.01387	91.7
71.31453	1.5
72.01711	1.3
72.99288	6.9
73.02953	26.7
75.00899	1.5
83.01392	14.4
85.02956	37.3
86.00103	1.2
86.72330	1.4
87.00883	6.3
89.02451	43.5
95.01427	4.2
96.96039	4.4
98.21922	1.2
98.95628	3.2
99.00894	13.1
101.02452	100.0
102.02814	2.3
111.00886	1.4
112.14037	1.3
113.02457	44.2
119.03521	21.4
125.02518	4.0
129.01976	2.3
131.03491	1.4
134.07372	1.4
143.03563	4.5
149.04585	2.1
158.03601	1.1
159.02975	5.8
161.04582	25.5
161.05888	1.7
179.05649	3.2
193.12495	1.3
217.16043	4.4
235.17142	1.4
281.11432	1.3
322.15466	1.2
354.52222	1.3
397.22522	48.6
398.22803	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2748
Annotation	Phyllofolactone D
Peak:m/z	Relative Intensity
57.03444	7.7
59.01368	3.3
59.98533	1.6
61.98819	1.2
69.03436	3.1
71.29420	1.2
73.02933	1.1
83.05045	1.0
86.30968	1.1
90.19946	0.7
93.77339	0.7
95.05069	0.9
99.04517	10.3
101.02434	1.5
111.04530	1.0
138.06857	6.2
139.07661	1.3
153.12881	5.0
175.11227	1.5
191.14432	2.7
241.15901	2.6
242.16344	1.2
243.17572	1.5
257.19116	2.5
259.20648	2.7
269.19083	5.3
271.88873	0.9
337.25412	3.4
353.28497	71.3
354.28836	10.4
397.27484	100.0
398.27820	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.1
61.98834	100.0
71.01383	1.2
71.29743	1.0
72.11527	0.7
84.16283	0.8
85.02937	3.9
87.02751	1.2
93.03465	0.8
109.02965	0.9
111.00871	1.3
119.05001	2.0
137.02472	1.2
143.03571	0.8
161.04449	1.1
163.04025	1.5
191.01974	1.6
193.05142	1.0
204.86481	0.8
215.03458	0.9
223.55235	0.8
237.11319	2.0
243.03009	4.0
247.06032	1.3
275.05591	0.8
279.96863	0.8
303.04938	1.3
330.89249	0.8
335.07886	6.1
391.29822	0.8
399.03961	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49282	2.7
56.10024	2.3
57.03455	3.2
59.01366	13.3
69.37144	17.8
71.01386	15.6
73.02962	4.6
78.95900	20.9
83.01385	3.3
85.02956	35.2
89.02432	2.8
90.19124	2.4
96.96999	3.5
101.02451	9.5
111.00898	7.6
113.02457	3.0
116.06384	3.0
119.05278	2.7
121.03028	2.6
129.01970	10.3
130.06651	8.7
134.03737	62.7
135.04486	10.8
138.53278	2.6
149.02493	4.0
149.06097	22.7
161.04623	3.7
163.02748	4.1
163.04021	50.6
163.05261	4.9
173.04631	3.9
178.02803	12.7
178.06367	49.9
191.05696	2.9
193.05070	100.0
193.08713	19.1
194.05423	5.7
205.03514	6.7
222.05446	13.7
223.04626	9.2
236.12311	3.8
237.07697	78.6
242.35733	2.7
257.80231	4.3
309.26816	2.7
357.09058	4.3
385.41211	2.6
398.17569	3.9
399.10071	4.6
407.52933	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21724	47.7
61.74606	40.5
72.31948	48.0
89.02455	60.4
98.22630	100.0
111.63882	40.5
126.16330	51.0
169.77719	44.7
197.13550	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94438	31.4
59.01376	100.0
67.99255	33.8
71.01390	74.4
75.63719	29.2
85.02951	58.4
101.02448	70.3
113.02513	35.7
128.13547	33.3
135.27341	32.2
145.02980	41.2
190.38055	38.2
191.05583	92.0
192.51753	30.1
220.99069	36.0
228.80135	40.5
251.11360	38.2
383.65979	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0723
Annotation	Theaflagallin
Peak:m/z	Relative Intensity
57.03432	1.4
59.01368	0.7
65.00315	0.4
65.42132	0.4
69.03444	0.6
71.30401	0.7
73.02939	0.5
81.03452	0.5
83.01379	0.9
89.02451	0.5
95.05059	0.4
97.02966	1.4
100.96108	0.4
106.43053	0.4
108.02197	1.2
109.02981	1.0
121.02951	1.9
121.06558	1.1
122.03736	0.9
125.02456	6.4
126.02844	0.4
131.05061	2.8
133.06616	2.0
135.04550	0.6
137.02461	5.6
138.03217	0.6
139.04079	0.5
143.05028	1.4
145.02928	0.6
146.03716	0.6
149.06105	2.2
151.04033	0.9
152.01137	0.5
159.03217	0.7
159.04514	11.2
160.04985	0.4
161.02478	0.6
161.06055	2.7
164.01097	0.6
165.01941	10.8
166.02570	0.8
167.03421	0.5
171.04494	0.9
175.04021	3.3
177.01959	0.8
177.05551	1.8
179.03636	0.4
187.04015	44.2
188.04645	4.3
189.01912	1.2
189.05588	3.2
190.02693	1.7
191.03419	1.8
193.01454	1.2
199.04034	1.0
203.03525	6.7
204.04288	3.8
205.05074	20.6
206.05484	1.0
207.02963	5.0
210.10757	0.5
214.02669	0.9
215.03511	13.6
216.04054	1.0
217.04982	0.7
219.02968	1.9
227.03465	2.8
228.04172	0.7
231.02989	4.7
232.03670	2.1
233.04556	100.0
234.02748	0.8
234.04915	7.3
237.11330	6.3
238.11681	0.5
239.07278	0.6
243.02998	1.3
243.06458	0.6
245.04526	2.7
255.03035	3.2
255.06689	0.6
256.03677	0.5
259.02432	2.0
260.03317	2.3
261.04031	18.8
262.04358	1.6
267.06625	1.1
271.06134	0.9
273.03998	6.3
281.07819	0.5
287.05673	0.5
290.31708	0.5
294.05432	1.0
295.06152	2.1
297.03836	0.5
309.07587	0.8
311.05588	0.8
313.07166	3.2
315.05304	0.7
327.08810	1.1
337.07166	1.7
355.08148	3.2
363.05237	0.5
381.06161	3.4
382.06604	0.7
399.07245	23.2
400.07526	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.0
57.03456	15.6
59.01384	8.8
67.01891	1.3
69.33096	5.0
69.33524	5.5
71.01385	14.7
72.99309	2.4
73.02937	4.2
75.00859	3.3
83.01386	10.9
84.02171	2.7
85.02958	100.0
86.03281	1.9
87.00874	2.3
89.02447	2.6
98.22537	2.3
101.02460	11.9
109.08710	1.3
111.00896	31.6
112.01190	1.8
113.02468	3.3
121.06584	2.4
129.01955	34.7
134.03748	15.1
137.09744	8.2
138.10170	1.7
143.03499	1.8
145.02930	1.8
147.02931	2.5
150.06851	1.3
161.04533	3.7
173.00909	2.2
173.04689	2.0
175.11275	4.0
187.02386	2.2
191.02014	1.6
191.05598	1.9
193.05139	7.3
205.03543	33.0
223.04608	97.0
224.04897	4.2
289.07144	2.8
296.14166	1.3
399.16599	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.3
57.03448	17.6
59.01381	37.6
61.98836	100.0
64.09229	2.4
69.12495	19.2
71.01387	29.2
72.99305	4.7
73.02935	2.6
75.00882	4.0
83.01392	7.8
85.02958	87.1
85.62246	2.0
86.03313	2.4
87.00870	2.8
89.02445	20.8
99.00899	2.6
101.02464	18.3
101.93237	2.1
111.00907	32.6
113.02447	9.0
113.81168	2.0
115.00362	3.7
119.03503	6.7
121.60065	2.2
122.03761	2.5
129.01952	30.1
134.03722	12.1
135.65710	2.1
147.03014	3.0
149.06120	4.1
151.03061	2.1
161.04579	2.7
165.05606	4.8
177.01982	4.4
191.05598	7.9
193.03523	2.6
193.05161	5.8
201.11499	2.5
205.03563	29.9
219.10286	7.4
223.04605	77.5
224.04912	2.5
233.04541	5.0
237.07588	3.2
277.03568	9.7
337.05884	2.9
399.08725	3.1
399.16769	20.8
400.16461	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.3
57.03450	19.2
59.01381	1.9
67.01886	2.2
70.50478	1.7
70.50794	1.9
71.01395	6.7
72.99295	2.3
73.02936	2.1
75.00869	1.2
80.29862	1.3
83.01388	9.5
84.02168	2.6
85.02957	100.0
86.03281	2.0
97.93180	1.2
101.02448	5.7
111.00894	25.0
129.01955	47.6
134.03763	14.5
149.06114	1.7
152.06729	1.2
155.94168	1.3
161.04587	4.1
187.02437	2.3
193.05064	7.9
205.03545	25.8
223.04599	22.0
254.75366	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.5
57.03452	19.4
59.01371	3.2
69.47017	6.8
71.01395	9.3
72.99313	1.7
74.35676	1.0
75.00880	1.9
77.45200	1.1
83.01396	11.0
84.02161	2.6
85.02954	100.0
86.03275	2.7
101.02441	6.0
111.00882	30.4
117.03439	1.9
129.01961	42.3
130.02281	2.2
134.03745	18.2
135.04132	1.3
149.06042	2.0
161.04544	3.2
165.97777	1.0
173.00867	1.7
175.03856	1.1
178.02727	1.8
187.02444	1.2
193.05032	13.3
205.03531	25.4
206.03915	1.5
222.56435	1.0
223.02498	1.4
223.04622	18.5
258.11722	1.1
313.43573	1.1
342.47705	1.3
414.41101	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24658	2.4
55.01881	11.3
56.11807	2.5
57.03453	15.0
59.01385	29.5
71.01388	57.5
72.99319	13.7
73.02940	5.8
75.00892	2.9
79.80009	2.8
83.01398	46.7
85.02955	100.0
86.02205	2.6
87.00877	3.4
89.02454	10.0
93.57565	2.5
99.00906	9.8
101.02448	19.8
103.00326	2.9
109.02979	3.1
111.00896	27.0
113.02459	9.8
115.00386	8.9
115.03989	3.0
117.03504	6.6
121.02948	3.5
123.04528	2.6
125.02468	11.7
129.01958	47.3
133.01476	6.4
133.02963	3.1
134.03749	94.5
135.04483	4.3
137.02490	6.4
143.03535	20.9
147.03023	7.6
149.06075	12.1
150.06558	3.4
154.99898	6.8
160.01689	6.3
161.02460	12.0
161.04561	12.0
162.03204	3.5
165.01996	3.1
171.10316	4.2
173.00923	35.6
175.03961	19.6
178.02713	7.3
179.03470	4.0
190.06288	3.1
191.01990	25.6
191.05644	4.8
193.05064	83.8
193.06790	5.2
194.05452	2.7
205.03459	2.8
207.06653	2.9
215.07233	2.6
218.05740	2.8
223.04662	20.5
233.08145	6.0
237.07761	6.4
251.11351	31.2
261.07669	13.5
279.08792	14.2
309.09848	7.5
327.55423	3.0
367.06680	3.9
399.10934	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.13
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
54.54049	0.5
55.87500	0.5
57.65718	0.6
58.08192	0.5
59.01377	0.5
70.50416	1.5
71.01368	1.5
74.02444	0.8
78.72517	0.5
81.03478	1.1
83.01514	0.5
85.02967	2.8
93.03457	0.8
95.01434	1.2
100.07080	0.5
101.02451	1.0
101.06091	4.0
101.12204	0.5
108.02185	100.0
109.03002	24.3
110.03275	1.0
113.02503	0.5
115.20329	0.5
116.05043	0.7
121.02959	1.2
123.00875	1.4
123.04568	0.5
126.77378	0.5
133.02934	0.7
151.03998	1.5
152.01167	61.8
153.01958	18.1
163.04019	0.9
165.01958	1.5
178.97954	0.5
188.17725	0.6
190.22533	0.5
203.08200	0.8
205.03235	0.5
237.11418	0.9
259.10895	1.0
312.81659	0.5
316.22247	0.6
399.12973	58.0
400.13297	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.1
66.03458	3.2
70.06579	2.7
71.01387	10.6
71.05028	36.0
71.28628	3.7
72.00905	7.2
72.04534	2.7
74.02482	51.3
84.04528	3.8
85.02962	6.2
86.02471	4.7
89.02477	4.1
89.26059	2.6
95.05053	12.1
96.04562	15.0
96.96031	5.0
97.06581	7.7
98.06136	4.9
99.00897	2.6
101.02479	4.4
108.04587	3.4
110.06133	9.4
112.04076	3.5
113.02495	3.7
116.05076	64.2
117.90134	2.1
119.80099	2.1
123.03265	2.8
123.04538	10.9
124.07699	4.3
125.09737	7.4
126.09291	3.1
130.06592	15.0
131.03778	9.1
132.04573	8.4
137.02483	2.5
138.05621	78.0
139.05969	2.4
142.06610	16.6
144.04544	5.7
151.07700	4.3
152.07181	5.7
153.09206	4.7
157.07732	36.5
158.06145	3.7
158.08107	3.0
159.09290	10.8
160.20587	2.8
161.04535	5.0
164.10805	4.4
165.09299	2.6
182.11884	13.5
193.12338	3.4
201.06779	3.4
203.08281	68.7
204.08572	2.8
208.09796	5.5
219.07735	7.2
226.10852	40.3
237.10358	10.3
239.12039	2.5
281.12976	15.3
293.16483	3.4
311.17734	20.7
325.11954	36.5
326.12238	5.3
337.15665	7.6
355.16647	100.0
356.13297	2.6
356.16818	14.0
381.14374	7.5
399.10806	5.8
399.15598	43.6
399.20148	3.1
400.15720	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.8
57.03455	4.0
59.01383	10.9
65.90396	2.4
69.00842	18.7
69.01244	3.5
71.01382	12.3
71.05025	39.1
72.00916	4.7
73.02934	5.9
74.02478	51.4
83.05035	2.8
84.04521	3.1
85.02968	9.1
86.02477	3.2
95.05031	13.6
96.04549	18.5
96.96050	2.9
97.06600	5.9
98.06120	6.7
98.22488	5.1
99.80743	3.2
101.02458	6.7
102.86775	2.5
108.04553	4.3
110.06133	7.9
113.02495	3.9
116.05068	71.0
116.25948	2.5
119.26437	2.9
123.04549	10.1
124.07704	2.9
125.02425	2.8
125.09724	7.8
130.06644	10.8
131.03784	7.9
132.04553	7.9
138.04567	4.0
138.05621	72.2
142.06633	16.1
144.04604	3.8
150.09207	5.4
151.07645	4.3
152.07188	9.0
153.09140	5.1
157.07745	38.3
158.06212	5.6
159.09317	10.2
161.04559	4.3
182.11880	12.6
186.05554	3.7
193.12462	4.0
203.08269	70.7
204.08554	5.3
208.09877	7.7
216.60590	2.5
219.07767	7.6
226.10841	42.9
237.10388	9.7
239.12009	3.0
251.33047	2.9
281.12958	17.1
293.16556	3.7
311.17615	18.5
312.98856	3.3
325.11923	31.9
326.12180	5.1
337.15601	6.0
355.12213	5.2
355.16650	100.0
356.16971	11.0
381.14130	5.2
399.15598	43.5
399.20056	3.9
399.24136	4.6
400.16077	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	10.4
57.03463	6.7
58.00589	3.6
59.01385	66.3
60.01707	1.1
66.83263	1.1
67.01883	1.3
69.03448	2.2
71.01386	93.8
72.99311	3.7
73.02953	35.6
75.00885	1.7
81.03486	1.1
83.01397	18.9
84.50862	1.1
85.02954	48.9
86.00151	6.5
87.00873	3.8
88.34775	1.2
89.02454	18.1
95.01395	8.4
97.02962	2.2
99.00893	16.3
101.02452	100.0
102.02810	2.6
102.98585	2.2
111.00861	1.7
113.02464	43.4
113.75785	1.0
119.03530	7.6
125.02451	4.7
131.03488	1.7
143.03514	6.3
159.03000	10.9
161.04573	49.9
162.04926	1.9
191.05676	2.4
217.96158	1.3
219.13870	1.8
237.14986	91.4
238.15350	7.8
263.16241	1.6
292.80618	1.1
336.90817	1.1
355.21271	32.0
356.21674	3.4
381.18845	2.4
399.20187	61.6
400.20535	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72880	1.1
55.01881	9.5
57.03454	6.6
58.00595	2.2
59.01382	52.9
69.03445	1.4
69.27380	7.1
70.29737	1.0
71.01386	100.0
72.01720	1.6
72.99305	3.6
73.02950	38.9
80.32496	1.1
83.01391	17.9
83.20538	1.1
85.02959	50.6
86.00094	2.1
87.00885	6.2
89.02440	11.8
93.33315	1.1
95.01394	7.7
97.02942	2.2
99.00888	15.7
101.02449	85.4
102.02801	2.4
109.02867	1.1
111.00938	2.1
113.02462	47.3
114.02764	1.6
119.03503	4.1
119.25879	1.1
123.04564	1.3
125.02450	4.7
129.01981	1.4
143.03540	5.4
148.05263	1.3
159.02969	10.5
161.04559	55.4
162.04927	2.2
171.76843	1.2
183.78424	1.1
191.05653	5.8
237.15002	4.1
309.40536	1.2
355.21277	22.6
356.21591	3.7
399.20081	34.7
400.20462	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.9
57.03450	5.5
58.00599	2.6
59.01385	68.7
60.01711	1.0
61.03046	0.5
69.03458	1.2
70.34956	1.2
70.35295	1.5
71.01388	100.0
72.01740	1.6
72.99316	3.7
73.02953	26.6
75.00890	1.2
76.08447	0.6
81.03468	1.0
83.01393	12.1
84.02189	0.7
84.38210	0.6
85.02959	42.5
85.96263	0.7
86.03324	0.7
86.49928	0.6
87.00875	4.7
89.02453	41.3
90.02798	0.8
95.01398	6.7
97.02970	1.8
98.21896	0.6
98.22407	0.9
99.00890	10.5
99.01477	0.9
100.10387	0.6
101.02453	79.7
102.02811	1.3
113.02460	42.2
119.03509	17.2
125.02451	2.4
127.50769	0.6
129.01974	1.1
131.03502	1.5
132.87135	0.7
143.03508	6.0
149.04733	0.7
159.03032	8.3
161.04567	50.6
162.04938	1.6
168.18611	0.6
177.94098	0.7
178.99924	1.2
179.05606	3.5
205.03552	1.0
235.16795	0.8
237.18674	2.5
397.17566	0.7
399.10941	3.0
399.23904	31.8
400.24277	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.2
57.03450	4.0
58.00599	4.6
59.01385	100.0
60.01737	0.8
69.09100	6.1
69.09502	1.5
71.01389	81.9
72.01737	1.0
72.99317	5.8
73.02959	10.3
83.01398	6.4
85.02954	20.8
86.24689	0.9
87.00890	3.7
89.02455	77.8
95.00874	1.1
95.01377	5.9
96.96027	4.9
97.02996	0.9
99.00899	3.6
101.02453	58.3
102.02792	1.4
103.40276	0.9
111.00875	1.1
113.02463	32.9
119.03513	37.5
121.51815	0.8
123.00900	1.8
125.02466	2.7
131.03496	2.1
137.02489	1.2
143.03551	3.3
149.04565	2.1
151.00421	2.2
152.01152	1.0
159.03017	1.6
161.04562	8.1
165.01875	1.3
179.05656	3.5
210.03535	0.7
237.11397	2.2
299.21848	0.8
399.10818	2.3
399.18582	4.8
399.23898	7.4
400.24258	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2907
Annotation	DHEA ENANTHATE
Peak:m/z	Relative Intensity
70.60304	1.7
70.60658	1.0
76.43349	0.8
85.06602	1.5
86.20998	0.7
112.02675	0.7
173.55290	0.9
240.64345	0.8
280.29446	0.8
399.29037	100.0
400.29468	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
57.03437	1.6
58.00573	1.7
59.01100	1.5
59.01381	30.4
61.98821	2.0
69.36797	6.9
69.37196	3.3
71.01386	35.2
72.99302	4.8
73.02949	3.2
73.60614	1.3
77.69751	1.4
77.86398	1.6
83.01394	2.5
85.02960	8.2
87.00897	2.4
89.02456	16.8
92.05071	15.3
95.01411	1.9
98.21723	1.8
101.02468	10.8
113.02467	7.5
119.03503	6.1
120.04582	11.4
128.05081	7.7
130.06639	54.3
131.06984	2.7
132.08197	2.1
135.73071	1.3
146.06125	4.9
148.04086	4.8
148.07686	9.9
158.06129	14.7
172.04070	1.7
173.04535	3.9
174.05568	6.5
176.07170	39.4
177.07533	2.3
191.05640	4.0
192.06667	13.2
194.08261	2.9
195.06543	2.1
197.14050	1.5
202.05116	37.4
203.05473	2.2
219.31798	1.4
220.06242	11.0
338.12555	2.3
382.11487	13.4
400.12500	100.0
401.12805	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53049	1.2
58.00593	1.1
59.01384	14.5
59.39664	1.0
61.98796	1.6
69.21673	1.1
69.34687	6.5
69.35099	3.0
71.01384	14.8
72.99309	22.2
73.02978	1.4
77.27782	1.1
85.02932	2.4
86.74023	1.2
89.02449	6.2
92.05055	6.4
101.02451	4.9
113.02460	1.8
119.03534	1.8
120.04539	3.2
120.08174	1.3
128.05074	21.4
129.05388	1.5
130.06633	100.0
131.03755	8.3
131.06958	3.8
134.06995	1.3
144.04559	3.6
146.06126	29.6
147.06461	1.8
148.04099	5.8
148.07692	4.0
148.83160	1.1
158.06122	16.3
159.06500	1.6
172.04044	2.7
174.05603	4.8
176.07187	34.4
177.07491	1.8
191.05676	3.1
220.06157	62.9
221.06482	3.1
317.51974	1.5
329.81561	1.2
400.12482	84.2
401.12677	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94374	3.6
55.01882	6.0
55.82870	2.8
57.03450	4.3
58.00595	3.2
59.01384	51.5
59.49646	3.5
66.80567	3.2
69.23874	9.2
69.24277	11.4
71.01385	77.7
73.02953	26.3
83.01388	12.0
85.02959	33.2
87.00889	6.0
89.02472	13.3
95.01411	6.2
99.00900	15.6
101.02448	57.4
113.02451	28.4
125.02431	7.2
129.01854	3.9
132.69514	3.2
143.03470	4.0
159.03046	8.5
161.04588	44.3
179.07138	20.5
203.20453	3.2
213.90253	3.5
227.06775	3.3
269.10291	78.8
273.72339	3.1
278.62820	3.3
401.06204	4.2
401.14594	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	8.4
57.03440	10.1
59.01384	77.2
65.01755	5.0
70.25407	18.8
71.01388	90.6
73.02957	43.0
83.01397	19.4
85.02956	45.0
87.00896	6.9
89.02464	23.6
95.01379	10.1
96.34578	5.2
99.00911	15.2
101.02455	65.0
105.04529	4.7
113.02489	36.9
125.02469	10.7
129.01978	8.7
141.93407	5.1
159.03020	11.4
161.04582	59.7
166.74107	4.7
174.61348	5.4
179.07159	57.1
191.05731	6.6
193.01292	5.6
223.04652	6.6
238.45828	5.6
269.10342	93.3
269.13016	9.4
289.07040	7.8
295.72620	4.9
313.30359	5.3
314.62756	5.3
378.61362	7.1
401.14569	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85614	2.6
51.51476	2.2
55.01886	5.2
57.03443	3.5
59.01388	22.8
66.01340	2.4
71.01385	54.8
72.99326	2.5
73.02958	20.9
77.51118	2.2
83.01391	6.8
85.02571	2.1
85.02968	27.7
87.00356	4.5
87.00884	76.6
89.02452	6.1
95.01402	4.1
97.02961	4.9
99.00870	7.6
101.01902	2.9
101.02457	28.5
109.02940	4.4
111.00864	2.9
113.02449	20.6
119.05054	3.6
121.02946	14.7
123.00864	7.9
124.05270	3.2
129.01884	3.1
135.04539	5.0
138.03178	3.7
139.07651	26.9
143.03535	2.2
149.02429	4.7
151.00360	4.8
151.03960	3.3
153.05563	3.6
159.02980	3.9
161.02538	11.7
161.04617	16.9
161.05806	3.5
163.04031	28.1
163.93634	2.4
164.04791	15.9
165.05470	5.2
166.02710	10.2
173.02386	3.3
173.04597	2.9
175.03928	5.1
176.04765	15.1
177.01942	4.3
177.05504	4.0
178.06358	26.2
179.03575	13.7
179.07140	49.5
180.07355	3.5
181.05080	15.6
187.04007	2.7
190.02631	4.2
191.03479	22.7
191.05559	11.3
191.07146	6.8
192.04182	5.1
193.05093	12.2
193.08588	4.2
194.05815	10.4
201.02065	3.3
202.06416	2.7
203.03488	6.8
204.04333	4.4
205.01459	2.6
205.05098	12.0
206.05811	8.5
207.06572	4.8
208.07607	3.7
209.08125	12.4
209.11806	2.6
218.05853	4.8
219.02927	5.7
221.04523	3.9
221.08177	9.1
234.05272	7.3
235.06029	4.1
236.06830	3.7
237.07664	6.1
239.09219	4.1
239.12900	11.1
247.02429	11.0
247.06122	7.4
249.07680	4.1
250.04881	5.6
251.09212	3.5
262.02417	2.8
262.04764	17.2
265.07187	86.6
266.07388	7.4
277.07202	37.4
278.07465	3.7
295.08252	96.5
296.08530	10.1
325.09399	2.9
337.09357	3.1
355.10336	26.5
383.09732	6.4
401.10852	100.0
402.11395	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	7.6
57.03448	6.4
58.00583	2.9
59.01382	69.1
62.71239	1.3
67.01906	1.6
69.03445	2.8
71.01385	100.0
71.29124	1.9
72.99301	5.3
73.02952	30.3
83.01402	16.3
85.02961	63.4
86.03281	2.6
87.00895	6.5
89.01918	1.0
89.02448	28.4
90.98568	3.0
95.01386	6.2
95.05034	1.6
97.02963	3.8
99.00885	13.2
99.04630	2.1
101.02449	79.3
102.02804	2.4
113.02457	39.3
119.03490	6.0
121.02936	1.9
125.02384	2.3
129.01866	2.2
131.03510	26.5
143.03505	8.9
150.03238	7.5
152.50166	1.6
152.62161	1.5
159.03065	8.1
161.03253	3.4
161.04572	63.5
161.05898	3.9
162.04909	2.7
165.05556	7.3
167.93338	1.5
179.00212	3.7
179.05621	3.0
191.05557	2.1
203.12901	6.4
205.03448	2.7
221.08186	11.8
239.09235	3.1
269.10318	93.3
270.10629	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	10.2
57.03444	5.5
58.00587	2.6
59.01378	45.9
61.98837	1.5
69.04707	18.0
71.01388	94.9
72.01691	1.7
72.99300	2.5
73.02953	38.5
74.47608	1.4
75.00896	1.6
81.03427	2.0
83.01401	16.5
83.02631	1.6
83.05016	1.5
85.02957	46.8
87.00874	5.1
89.02448	19.2
95.01395	8.0
97.02957	3.5
99.00887	21.8
101.02451	70.0
102.02837	1.8
104.96529	1.6
111.00888	2.5
112.01674	1.8
113.02457	40.1
119.03441	1.6
121.06628	1.9
129.01990	3.0
131.03487	3.3
135.04579	2.2
137.02458	1.9
139.00377	2.0
143.03529	4.1
151.11320	3.5
159.03004	7.5
161.04568	61.4
162.04947	2.0
165.01871	2.0
173.04579	2.7
177.09325	1.9
179.03468	2.4
191.05644	5.3
195.10149	1.6
239.09276	3.3
269.10318	95.5
270.10638	8.6
278.93671	1.5
280.70819	1.5
401.14542	100.0
402.15048	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1455
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01886	6.9
57.03437	4.6
58.00585	3.3
59.01384	98.1
60.01690	1.4
66.76095	1.4
69.03452	3.9
69.50492	9.4
71.01387	100.0
72.01715	2.3
72.99305	5.0
73.02951	27.6
73.36340	1.4
81.03444	2.0
83.01385	17.6
83.07865	1.5
85.02959	52.0
87.00867	5.6
89.02453	65.7
90.98643	1.5
93.03450	2.1
95.01387	4.3
97.02944	4.1
99.00877	8.8
101.02452	72.0
102.02786	1.9
111.00896	12.6
113.02466	34.1
115.03985	3.2
119.03497	10.2
121.02950	1.4
125.02457	6.6
129.01938	2.1
131.03520	23.4
135.08167	1.8
143.03519	5.9
149.04608	11.6
151.04053	1.5
151.11270	1.6
159.03001	4.5
161.04570	31.6
173.04570	2.2
177.09126	1.6
179.00203	2.2
179.05611	2.4
179.07072	3.0
191.05605	4.3
195.10263	1.5
221.08180	14.3
233.06711	6.8
239.09100	2.1
251.09441	2.6
269.10315	54.4
270.10559	5.2
293.08856	3.3
380.86963	1.6
401.14502	45.6
402.14841	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80203	1.3
53.73521	1.4
55.01868	4.1
57.03453	5.7
58.00606	2.1
59.01381	70.8
60.01701	1.5
71.01386	64.3
71.05013	3.8
71.27526	1.5
72.99303	3.3
73.02950	13.6
74.02496	1.8
83.01397	9.1
85.02959	21.3
87.00852	2.1
89.02450	39.1
95.01415	4.0
97.02945	1.8
99.00903	8.3
99.04542	3.8
99.08157	2.8
101.02451	32.6
107.05022	4.5
109.02952	1.8
113.02462	22.8
119.03518	12.8
121.02905	2.0
123.08152	3.6
125.02439	6.5
129.05559	3.0
131.03532	3.0
133.10197	7.7
137.02391	2.6
139.22333	1.4
143.03497	1.7
149.04593	2.1
151.11293	15.7
154.15175	1.6
157.04990	1.5
161.04555	6.9
165.01950	2.1
166.02734	3.4
177.09233	23.7
177.12799	5.0
179.05620	3.2
179.10838	1.8
182.73415	1.5
191.23734	1.6
195.10255	5.7
195.13887	2.8
221.08261	7.6
221.11871	4.2
233.06561	2.1
293.08896	2.0
303.05096	2.7
357.15872	3.2
401.14227	3.6
401.18185	100.0
402.18741	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38665	1.3
55.03963	1.1
57.03444	1.4
57.90022	1.3
59.01381	100.0
71.01376	7.2
71.29034	1.9
72.99281	1.3
74.84729	1.2
75.16111	1.2
78.95897	3.0
83.01398	2.6
85.02945	3.8
89.02441	3.4
90.10541	1.1
93.03465	1.2
97.02927	1.4
101.02438	3.0
101.14528	1.2
109.02976	6.5
110.98532	2.3
113.02466	2.7
119.03489	1.6
121.02987	3.0
123.04509	3.5
125.02455	4.6
135.04488	1.8
137.02451	11.4
146.03749	15.4
149.02513	1.7
150.03220	1.5
151.03979	2.4
161.06104	6.6
162.03246	5.0
163.03989	2.6
164.04784	14.6
165.01956	1.5
175.07504	1.3
177.05539	3.1
179.03558	2.0
179.07141	61.4
180.07480	3.9
187.03995	2.3
191.05626	4.6
203.07086	1.4
205.05045	2.4
239.09251	25.4
240.09608	1.6
245.08139	3.4
247.27238	1.3
263.24603	1.2
289.07196	24.4
311.05133	2.4
359.00748	1.4
401.10110	8.7
401.14719	5.3
402.11063	1.8
402.94040	1.4
421.40356	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38665	1.3
55.03963	1.1
57.03444	1.4
57.90022	1.3
59.01381	100.0
71.01376	7.2
71.29034	1.9
72.99281	1.3
74.84729	1.2
75.16111	1.2
78.95897	3.0
83.01398	2.6
85.02945	3.8
89.02441	3.4
90.10541	1.1
93.03465	1.2
97.02927	1.4
101.02438	3.0
101.14528	1.2
109.02976	6.5
110.98532	2.3
113.02466	2.7
119.03489	1.6
121.02987	3.0
123.04509	3.5
125.02455	4.6
135.04488	1.8
137.02451	11.4
146.03749	15.4
149.02513	1.7
150.03220	1.5
151.03979	2.4
161.06104	6.6
162.03246	5.0
163.03989	2.6
164.04784	14.6
165.01956	1.5
175.07504	1.3
177.05539	3.1
179.03558	2.0
179.07141	61.4
180.07480	3.9
187.03995	2.3
191.05626	4.6
203.07086	1.4
205.05045	2.4
239.09251	25.4
240.09608	1.6
245.08139	3.4
247.27238	1.3
263.24603	1.2
289.07196	24.4
311.05133	2.4
359.00748	1.4
401.10110	8.7
401.14719	5.3
402.11063	1.8
402.94040	1.4
421.40356	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77826	2.6
57.03466	2.7
59.01381	66.0
69.52134	16.5
71.01393	21.5
73.02962	3.7
85.02929	13.3
87.00946	2.9
89.02454	11.8
98.22499	5.5
99.17399	3.4
101.02417	14.1
109.02962	5.4
113.02456	9.3
119.03458	4.0
122.03776	3.5
143.10799	4.7
150.03223	15.3
161.04558	9.4
165.05562	11.0
167.07161	9.2
177.09218	4.7
193.08786	3.3
203.12881	100.0
204.13248	7.7
221.08151	13.6
221.11732	3.7
239.09178	13.9
269.10233	6.3
310.09357	2.7
401.15070	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1608
Annotation	Denudanolide D
Peak:m/z	Relative Intensity
55.82915	5.8
61.98824	6.1
69.27628	35.9
79.25011	5.6
80.66276	5.2
90.47957	5.0
96.95106	5.4
98.22596	7.5
121.02961	48.2
199.63713	5.6
293.08270	6.2
295.09802	19.9
311.09204	11.1
313.07184	15.4
323.09216	88.5
324.09592	10.0
325.10938	15.4
339.08633	10.6
354.11072	53.4
355.11847	15.2
369.13391	71.0
386.13779	16.8
401.08661	10.6
401.10519	8.3
401.16092	100.0
402.16495	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49226	1.3
69.04607	11.6
69.05008	3.0
81.78772	1.5
83.25553	1.6
96.96007	2.2
121.02959	20.5
171.06216	1.4
181.06549	3.0
225.05646	2.0
228.00751	2.6
229.01369	3.1
239.56992	1.6
241.08737	4.0
257.00964	2.2
269.08203	5.7
271.02353	2.4
272.02924	1.9
281.04410	1.8
281.08243	1.8
285.07654	8.2
296.06863	5.3
297.07712	13.5
300.10187	2.2
311.09241	5.1
312.10022	2.6
313.07187	18.1
324.06439	5.2
325.07172	20.4
325.10672	2.6
326.07645	3.5
328.09515	2.6
339.08698	7.7
340.09567	13.6
341.06686	22.8
341.10260	3.3
343.11676	3.5
355.11929	12.3
356.09024	5.8
357.06186	2.5
357.13370	1.9
371.11374	89.0
372.11700	6.7
386.13736	60.5
387.13977	7.1
401.16080	100.0
402.16458	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1608
Annotation	Kadsuralignan A
Peak:m/z	Relative Intensity
52.95189	2.4
57.30883	2.3
59.08782	2.6
63.15875	2.5
69.09474	23.0
76.48696	2.2
76.79620	2.2
79.13687	2.4
80.83734	2.3
97.98309	2.9
98.22472	4.5
121.02992	25.7
123.04418	2.5
171.10292	3.1
175.04065	2.6
190.06316	4.5
225.09166	2.6
241.08788	6.0
253.08658	4.9
269.08194	10.0
271.09695	3.7
283.09592	3.7
284.10538	9.6
285.07758	10.9
287.12720	2.9
289.52170	2.6
296.06818	3.2
297.07675	39.8
298.08105	6.2
299.12787	2.7
299.36691	2.7
300.10010	5.6
311.09286	3.1
312.10007	26.2
313.07108	15.6
315.12347	18.5
324.06421	7.5
325.07162	46.3
327.12344	28.0
328.09528	2.6
329.10123	2.8
339.08795	12.9
340.09470	30.6
341.06567	3.3
341.10223	3.2
343.11850	9.4
346.96780	2.7
354.11169	10.0
355.11829	47.9
356.12299	6.3
369.13501	6.1
371.11301	24.8
372.11691	2.8
377.92264	2.7
386.13757	47.1
387.14133	4.3
388.61710	2.5
401.08588	6.1
401.16083	100.0
401.21353	5.6
402.16669	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.7
71.01389	2.6
71.30604	1.5
72.04537	3.5
73.02945	1.3
74.02477	40.4
74.70081	1.0
85.02957	1.9
86.06128	7.7
98.06084	1.2
101.02454	1.1
109.24506	0.9
116.05082	15.9
120.49768	1.0
122.06177	1.6
123.08172	4.1
124.07686	1.3
130.06642	1.4
135.08160	1.4
140.10837	1.7
142.06622	4.5
150.24673	0.8
159.09290	2.2
166.12360	2.1
180.10286	2.8
190.31754	0.8
192.10220	1.6
193.89990	0.9
197.08347	0.9
198.11409	3.3
203.08267	15.4
210.11378	12.8
224.09306	2.5
224.11691	1.0
229.32034	1.0
242.10344	5.4
254.10425	1.5
272.11484	1.9
283.18213	2.8
295.18127	1.6
327.17279	1.5
339.17120	16.6
340.17447	1.4
371.16138	12.9
372.16104	1.2
383.16092	15.8
384.16571	1.6
401.17194	100.0
402.17572	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.6
57.03460	4.0
57.03684	1.2
58.00575	1.1
59.01384	28.7
65.39211	0.6
71.01388	23.6
71.05031	0.8
71.31854	1.1
72.93053	0.7
72.99297	1.8
73.02953	6.1
73.90572	0.8
74.99103	1.0
83.01391	5.2
83.05002	0.9
85.02947	12.8
86.43909	0.7
87.00888	1.9
89.02444	12.5
93.03439	2.8
94.87917	0.8
95.01391	2.9
97.02968	1.0
97.06642	0.8
99.00877	3.0
99.08186	0.9
101.01826	1.2
101.02448	17.7
107.05016	1.2
109.02954	4.4
111.00886	1.8
111.04536	2.0
113.02448	10.5
115.00366	0.9
119.03500	4.8
121.06573	0.8
123.04535	1.4
123.08148	3.0
125.02454	4.3
129.01935	0.9
131.03450	1.1
133.10173	1.0
135.04483	4.7
137.02422	2.9
139.00357	1.7
143.03416	0.9
151.04031	1.2
151.11299	1.6
152.80743	0.8
153.01935	1.0
155.03522	0.9
161.02397	1.2
161.04535	3.3
161.05959	0.8
163.03998	0.9
165.01872	0.9
173.04584	4.5
175.04103	0.9
177.09157	1.6
177.12889	4.9
179.03499	3.5
179.05759	0.9
189.05696	0.9
191.05635	7.8
195.03497	0.8
195.13838	2.9
201.01920	0.7
213.09271	1.2
215.07202	1.1
217.08644	1.0
221.04462	1.1
221.11806	5.1
239.09296	0.9
239.12811	1.0
243.71118	0.8
303.05270	1.1
304.05820	1.2
339.12213	2.4
401.12546	9.8
401.18118	100.0
402.13104	1.5
402.18457	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27768	0.4
57.15777	0.4
59.01382	1.7
71.01395	1.4
71.30610	0.5
71.31060	0.6
73.79522	0.4
78.78699	0.4
85.02972	1.2
93.03497	1.1
109.02988	1.8
112.89787	0.4
113.02465	0.7
125.02456	1.2
135.04562	1.5
137.02457	34.0
138.03287	3.9
152.04791	0.5
161.04622	0.5
165.05595	6.5
173.04568	1.3
179.03488	0.9
191.05617	5.6
192.05954	0.5
195.10152	0.5
195.62985	0.4
201.09300	0.5
209.29584	0.4
214.06171	0.4
223.09792	0.5
224.10562	69.4
225.10896	4.4
229.08730	1.5
239.12906	100.0
240.13248	7.8
343.41953	0.5
401.13171	0.7
401.17755	3.4
401.21649	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1819
Annotation	Spionoside B
Peak:m/z	Relative Intensity
51.27768	0.4
57.15777	0.4
59.01382	1.7
71.01395	1.4
71.30610	0.5
71.31060	0.6
73.79522	0.4
78.78699	0.4
85.02972	1.2
93.03497	1.1
109.02988	1.8
112.89787	0.4
113.02465	0.7
125.02456	1.2
135.04562	1.5
137.02457	34.0
138.03287	3.9
152.04791	0.5
161.04622	0.5
165.05595	6.5
173.04568	1.3
179.03488	0.9
191.05617	5.6
192.05954	0.5
195.10152	0.5
195.62985	0.4
201.09300	0.5
209.29584	0.4
214.06171	0.4
223.09792	0.5
224.10562	69.4
225.10896	4.4
229.08730	1.5
239.12906	100.0
240.13248	7.8
343.41953	0.5
401.13171	0.7
401.17755	3.4
401.21649	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01663	0.3
55.01871	1.2
57.03441	0.7
58.00603	0.4
59.01387	14.1
62.29479	0.2
69.03462	0.2
69.26066	2.0
71.01390	21.5
72.01706	0.4
72.09488	0.2
72.99314	0.8
73.02945	1.8
76.16345	0.3
83.01383	1.7
85.02966	4.2
86.00097	0.3
87.00882	1.1
89.02459	3.8
95.01401	0.7
97.02987	0.3
98.22321	0.8
99.00906	0.8
101.02454	5.8
111.00875	0.3
112.01694	0.3
113.02467	3.1
119.03535	1.6
125.02459	0.3
149.13387	1.9
186.21484	0.3
191.14392	0.3
193.15996	0.3
195.17897	0.2
209.15521	2.0
221.15504	2.7
233.87721	0.3
239.16541	26.0
240.16933	2.2
251.16553	0.4
281.17737	0.3
296.50012	0.3
308.63934	0.2
341.06686	0.4
371.11325	0.8
383.20908	2.4
386.13541	0.4
401.21832	100.0
402.22165	13.2
402.86203	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2335
Annotation	Macrolactin G
Peak:m/z	Relative Intensity
57.03455	48.0
59.01357	6.8
69.03447	12.3
69.08727	12.1
69.09151	18.2
71.05023	6.4
79.64798	3.2
81.03468	8.0
83.05033	9.0
95.05025	18.0
97.02942	7.5
98.03738	9.9
98.21880	7.0
99.04524	68.6
101.56444	3.4
121.02965	11.6
121.06573	4.6
137.06090	7.0
138.06808	4.9
139.07724	3.4
161.09763	4.6
255.17464	3.6
257.19113	8.7
263.72354	3.5
269.18948	4.3
271.20728	19.9
281.19119	7.0
297.22290	7.8
299.16733	5.0
299.20166	100.0
300.20584	9.5
321.22168	14.0
339.23300	99.0
340.23584	12.1
343.19147	89.1
343.22394	2.1
344.19510	9.6
365.21133	17.0
383.22244	96.7
384.22641	12.4
401.23376	99.1
402.23572	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26726	0.8
54.37511	0.8
55.01881	9.7
57.03458	5.0
58.00601	2.3
59.01383	48.4
60.10688	0.8
60.58628	0.8
63.46027	0.8
67.83331	0.8
69.03458	1.1
69.21658	6.0
71.01387	100.0
72.01712	1.9
72.97539	0.9
72.99312	3.5
73.02950	31.2
73.17259	0.8
75.00878	1.0
83.01391	18.8
85.02956	46.6
86.00117	2.6
87.00877	6.1
89.02449	17.9
90.02750	1.0
93.63490	0.9
95.01394	8.8
97.02962	2.4
98.21865	1.7
98.22530	1.6
99.00882	14.5
101.02449	89.0
102.02785	2.3
111.00922	5.0
113.02455	46.4
114.02771	0.8
119.03509	9.0
121.02959	0.9
123.39639	0.9
125.02436	3.3
129.01953	2.2
132.82516	0.9
135.04526	1.0
138.08240	0.8
141.01936	2.9
143.03519	4.7
159.02995	11.9
161.04561	35.9
161.85388	0.9
162.04854	1.2
174.13721	1.0
227.61591	0.9
291.79172	0.8
300.51666	1.0
308.91714	0.9
327.51245	1.0
371.11438	2.0
372.11157	0.9
386.13834	2.2
387.14481	3.7
401.16394	2.3
401.25500	35.2
402.17105	1.3
402.25775	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3062
Annotation	Androsterone Enanthate
Peak:m/z	Relative Intensity
51.36754	0.6
55.23464	0.5
59.01370	0.8
67.95621	0.5
68.50038	0.5
69.07177	1.7
69.07585	3.3
93.27094	0.5
98.22643	1.0
120.30028	0.5
121.02951	2.3
122.89405	0.6
186.05406	0.6
295.77988	0.5
313.06985	0.7
383.29745	0.7
401.30630	100.0
402.30984	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3063
Annotation	CHEBI:68040
Peak:m/z	Relative Intensity
53.44788	11.9
69.19038	71.2
69.19442	28.1
101.38249	12.1
105.14651	11.1
118.79053	11.3
180.52933	12.2
190.07556	12.9
201.49007	12.0
357.31705	100.0
401.30396	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35841	5.4
59.01383	100.0
60.77512	7.4
61.98829	19.4
62.45284	5.2
67.01914	7.5
69.31165	32.1
70.11497	5.7
71.01386	65.1
72.99296	6.5
83.01374	5.3
85.02937	18.4
87.00878	9.6
89.02448	90.0
95.01381	8.1
96.97000	7.2
98.21793	12.3
101.02448	43.6
108.02177	8.2
113.02470	33.5
119.03518	39.4
123.04532	7.3
125.02450	12.2
135.04588	7.1
137.02443	13.6
143.03539	6.0
146.03716	11.5
147.49277	5.9
152.01163	7.9
161.04596	15.2
164.04858	11.8
167.03537	19.4
173.04564	10.1
179.05698	15.0
179.07147	37.7
181.08701	14.4
191.05638	55.8
192.06032	8.6
220.99133	6.3
222.97099	6.2
223.06175	7.3
243.02986	8.8
244.03436	8.0
320.57285	10.2
342.99234	16.5
344.05301	6.1
359.13406	12.8
361.00055	17.7
373.18845	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66413	3.6
52.94137	3.8
59.01381	10.7
69.03477	3.6
69.89944	3.9
70.30038	6.9
70.30384	8.5
71.01380	12.7
73.02971	5.0
74.99115	5.4
82.92464	4.0
83.01411	5.2
85.02930	4.7
93.03457	5.6
101.02434	6.8
106.24746	4.1
109.02990	9.1
125.02451	7.9
130.40456	3.4
133.02884	6.3
136.99190	4.2
137.02454	48.1
150.03180	7.8
153.12843	7.0
165.01941	15.6
177.01855	4.0
179.03458	5.4
184.77931	4.3
197.11861	10.3
214.55270	3.7
240.05069	5.3
241.05823	4.5
254.06755	5.5
255.07565	8.8
256.08087	9.4
268.04388	15.0
268.07373	3.7
282.09686	8.9
283.07034	4.8
284.07776	7.5
287.05588	11.7
296.07416	6.1
306.07550	5.6
309.08548	4.6
310.09180	13.9
316.10059	5.9
328.67715	3.6
338.08664	5.9
353.64633	4.0
370.11209	36.8
371.11508	6.7
385.12918	9.6
402.13831	100.0
402.26099	6.3
403.13550	18.5
403.26776	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.2
59.01374	4.3
61.98825	4.9
64.92345	1.7
67.81309	1.7
69.58564	8.2
78.95910	60.7
81.03438	2.0
83.01383	5.6
95.01410	1.8
96.96050	16.1
96.96971	100.0
97.02152	1.6
97.02944	2.6
109.02955	5.5
121.03020	2.0
123.00890	4.0
125.02452	41.3
126.02845	1.8
137.02455	22.4
139.04013	9.5
151.04050	1.6
152.01103	2.2
153.01932	11.5
159.23940	1.5
160.42728	1.7
161.02490	2.2
162.32658	1.6
164.01160	2.6
164.25142	1.6
165.01921	7.6
167.03490	13.9
177.05473	1.9
179.03505	11.5
181.05019	1.8
203.03462	2.1
207.53912	1.9
219.06586	5.9
221.04590	2.6
250.98692	2.2
261.07684	3.0
262.98508	2.0
264.07800	1.6
265.00247	7.6
277.00574	2.8
296.99341	6.5
301.00317	1.8
305.06693	66.0
306.07053	5.9
317.03296	2.8
343.01691	2.8
359.04446	3.4
373.11880	1.9
375.00323	7.6
385.02359	2.4
403.03580	5.7
403.16638	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28209	0.4
59.01384	2.7
60.37297	0.3
63.26892	0.3
68.98972	1.1
68.99390	2.3
71.01387	2.0
80.02680	0.5
85.02969	0.4
89.02432	0.8
95.01414	0.5
101.02477	0.7
108.02183	29.6
108.52238	0.4
109.02525	0.7
113.02498	0.6
119.03541	1.1
123.00901	1.5
123.04533	15.1
124.04874	0.5
129.79356	0.4
133.74055	0.3
139.00398	0.7
152.01163	58.5
153.01483	2.3
165.01958	0.9
167.03505	100.0
168.03838	5.1
180.04256	0.7
183.07074	0.4
193.01434	1.4
208.03699	3.0
209.04335	0.4
223.06114	7.4
224.06303	0.4
230.94254	0.4
241.07074	0.9
319.23401	0.4
403.12415	10.2
404.12762	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.125
Annotation	Theviridoside
Peak:m/z	Relative Intensity
59.01380	26.0
59.25802	1.4
61.98822	5.0
69.54233	6.5
71.01387	18.1
73.02931	1.5
83.01368	2.0
85.02945	4.0
87.00883	4.5
89.02455	13.2
93.03434	2.1
95.01405	5.5
101.02455	11.2
107.73391	1.6
108.02166	5.0
109.02943	4.5
113.02464	5.3
119.03493	6.4
121.02953	4.7
123.00899	12.7
123.04484	1.8
124.01698	2.8
125.02441	11.6
131.93222	1.7
135.04501	2.1
137.02475	7.1
138.03239	20.9
139.00377	4.8
139.04033	13.8
147.00893	1.8
149.02428	3.2
151.03990	2.2
152.01202	9.3
152.04761	2.8
152.49110	1.5
153.01910	6.1
153.05595	10.5
154.02608	2.2
158.92540	1.5
161.04547	1.8
165.01939	28.5
165.09201	2.8
166.02541	2.2
167.03532	14.2
175.00423	2.7
177.01907	2.5
178.02734	2.2
179.03447	4.3
179.06992	1.6
180.00658	22.1
180.04274	17.6
181.01372	7.4
181.08748	3.9
182.02248	3.4
191.05594	2.4
193.01439	26.2
194.02168	4.0
195.01186	2.6
195.02997	51.5
195.06624	4.9
196.03819	10.9
197.04469	3.7
207.03078	3.4
208.01918	2.5
208.03778	32.9
209.04349	4.2
211.06117	17.2
223.06128	100.0
224.06384	5.9
225.04132	10.2
234.38545	1.7
294.78918	1.7
295.08017	1.8
340.41650	1.9
358.09073	8.4
373.11395	95.4
374.11673	9.1
385.11435	19.9
403.12402	40.4
404.12753	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1377
Annotation	Flustramine H
Peak:m/z	Relative Intensity
50.76093	5.0
51.40135	5.1
59.01389	100.0
61.98831	33.2
69.05999	59.0
71.01391	35.7
73.02943	10.7
76.52247	5.1
76.81336	5.7
78.95942	9.8
84.01859	5.7
85.02943	12.8
89.02469	13.1
95.01424	6.5
98.21719	8.9
101.02448	19.3
109.02975	15.2
113.02439	15.8
119.03491	6.1
125.02421	13.1
127.78288	5.5
134.03761	6.7
134.04729	6.1
135.62851	5.6
137.02461	12.5
148.26347	5.7
161.02438	25.4
161.04619	12.0
178.99960	5.7
179.03450	10.8
181.08791	12.0
220.99080	12.3
264.99298	7.5
289.07501	7.8
290.07504	16.7
341.08875	11.9
342.99127	16.5
361.00009	11.4
367.16092	8.3
390.60217	5.3
403.15631	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1611
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
50.63352	0.9
59.01381	100.0
60.01722	1.6
62.24171	0.8
71.01382	10.4
73.02941	2.5
76.48012	0.8
78.95898	1.0
84.03793	0.8
85.02966	3.9
89.02464	7.9
89.69843	0.9
101.02466	5.5
109.02985	1.3
113.02444	4.8
119.03517	3.3
121.02943	1.9
123.66176	1.0
125.02455	0.9
143.03520	1.4
145.20447	0.9
161.04584	6.5
166.06369	11.6
180.07883	0.8
181.08745	12.4
193.05081	1.0
223.09988	0.9
306.77747	1.0
383.71075	1.0
403.16025	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1612
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
51.10983	1.3
57.03432	4.7
59.01383	79.9
63.83059	1.3
69.03513	6.8
69.03941	7.3
71.01382	17.3
71.05010	2.9
72.99312	1.9
73.02953	7.8
80.97552	1.2
83.01376	2.3
83.04995	1.9
85.02954	6.9
87.00861	1.8
89.02453	14.4
93.03504	1.8
94.42074	1.3
98.21769	2.7
98.52155	1.3
99.08179	2.2
101.02453	11.0
102.70527	1.3
107.05074	1.4
109.02916	1.4
111.04466	1.5
111.24815	1.3
113.02448	9.9
119.03506	3.7
121.06569	4.0
123.08176	3.8
126.34609	1.2
129.05615	1.9
135.08253	1.5
135.11816	1.7
137.02451	1.6
137.09749	15.0
143.03519	1.3
149.06044	2.5
161.04539	1.7
161.09761	6.1
163.07655	4.9
167.07205	1.5
173.04524	1.7
175.07578	1.3
179.10764	16.6
180.11044	1.4
181.08714	12.0
193.05074	4.9
197.11838	54.8
198.12206	3.4
223.09811	7.3
241.10822	100.0
242.11121	8.3
283.11862	5.6
327.10144	1.4
343.13654	4.2
403.14777	4.0
403.19214	4.3
404.14767	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.3
71.05038	0.6
88.15927	0.2
89.46125	0.3
98.21829	1.0
98.22517	0.7
113.22041	0.3
122.41451	0.3
137.02472	1.0
138.03253	1.3
143.42743	0.3
172.05324	0.5
187.07661	2.1
188.04790	0.4
199.04028	0.6
203.07222	0.5
204.04254	0.3
215.03456	1.0
216.04356	0.8
217.05164	0.6
226.02696	0.4
227.03578	1.6
228.04312	2.5
228.98447	0.3
229.01389	0.5
229.05011	0.8
230.05850	0.3
231.06586	1.1
232.07430	0.6
241.05135	1.0
242.02197	1.1
242.05846	0.6
242.09689	0.3
243.02963	1.1
243.06598	1.3
243.10274	5.4
244.03772	1.3
244.07399	0.5
245.04538	0.5
245.08083	0.4
253.08705	0.4
254.02310	0.9
255.02994	4.9
255.06750	0.6
256.03696	1.9
256.07455	0.9
257.00897	2.0
257.04538	2.8
257.08206	0.8
258.01709	4.1
258.05289	0.7
258.12555	1.1
259.02292	0.4
259.06091	1.0
259.09903	0.4
260.06915	0.4
267.06494	0.5
269.04590	1.4
269.08240	0.9
270.05267	0.9
271.02539	0.9
271.06177	1.4
271.09641	1.8
272.03296	11.5
272.06723	1.1
272.10016	0.4
273.04022	6.2
273.07510	0.7
274.04510	0.5
281.08307	1.0
282.05435	1.6
282.08783	0.6
283.06171	2.9
284.06754	0.7
285.04105	0.6
285.07663	0.7
286.04895	0.9
286.08173	0.4
287.05670	23.0
287.09244	3.6
288.06360	7.3
288.09875	1.0
289.06952	0.8
296.10638	0.9
297.07745	5.0
297.11047	0.6
298.08450	2.3
299.09244	5.9
300.06592	1.6
300.09445	0.4
301.07211	1.9
301.10550	0.5
302.07962	0.7
302.11682	1.3
303.12302	0.8
309.07736	1.0
310.04929	1.1
311.05530	1.0
311.09204	0.7
311.12888	0.6
312.09995	1.7
313.07281	0.4
313.10736	2.7
314.11578	3.9
315.08755	9.2
315.11963	0.5
316.09183	0.9
317.10147	0.5
323.09140	0.5
324.10068	0.7
325.07220	5.8
325.10657	0.3
326.07965	6.7
327.08765	11.1
327.12381	1.3
328.05872	0.9
328.09366	1.8
329.10223	0.8
329.13992	2.3
330.11093	4.9
331.11569	0.6
339.12616	0.5
340.09528	4.7
341.10287	10.6
342.07535	0.4
342.11063	8.9
343.08176	7.9
343.11810	1.3
344.08636	0.9
345.13409	8.2
346.13809	1.2
355.11893	9.1
356.12598	6.2
357.09680	2.0
357.13489	11.4
358.10483	9.8
359.10895	1.1
371.15018	4.1
372.15390	0.6
373.12946	59.5
374.13232	7.0
387.14639	0.3
388.15317	41.6
389.15576	4.7
403.17636	100.0
404.17963	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
59.01379	2.8
69.07261	0.6
69.07662	2.8
70.20490	0.4
71.01375	1.1
71.05029	0.7
73.02927	1.0
85.02967	0.5
87.00871	0.5
89.02419	0.8
101.02435	0.8
109.02965	0.6
113.02469	0.5
125.02458	0.7
133.02936	0.4
135.04584	0.5
137.02477	1.9
138.03201	0.7
161.36603	0.4
165.01901	0.7
178.02766	0.5
179.03496	0.7
187.07620	2.9
191.05560	0.6
203.07170	0.7
211.04060	0.4
215.03555	0.8
215.07063	0.6
216.04128	0.7
217.04973	0.9
220.07487	0.5
226.02589	0.5
227.03494	1.5
228.04276	2.0
229.04839	0.5
231.06667	0.6
241.05057	0.7
242.02199	1.7
242.05949	0.8
243.03027	1.6
243.06551	1.1
243.10229	5.2
244.03896	1.0
244.07437	0.6
245.04576	0.4
245.08154	0.6
254.02032	0.6
255.02946	2.5
255.06668	1.0
256.03687	0.7
256.07401	1.5
257.00934	2.9
257.04578	2.5
257.08228	0.9
258.01697	3.0
258.05206	0.4
258.12656	1.0
259.02249	0.7
259.06122	1.4
259.09738	0.6
260.06894	0.7
267.06549	0.9
269.04645	1.2
269.08246	0.8
270.05261	1.0
271.02548	1.3
271.06094	1.0
271.09766	1.7
272.03268	10.8
272.06824	2.3
273.04010	5.4
273.07623	1.5
281.08179	1.0
282.05322	0.7
282.08829	0.6
283.06253	2.9
284.06833	1.2
284.10028	0.5
285.04272	0.5
285.07861	0.5
286.04858	1.4
286.12018	0.5
287.05682	24.9
287.09195	4.2
288.06351	8.1
288.09778	1.3
289.06833	0.8
297.07703	3.2
297.11142	0.7
298.08395	1.8
299.09238	5.4
300.06387	1.8
300.09543	0.8
301.07141	1.3
302.08084	0.8
302.11624	1.2
303.12372	1.1
306.07373	0.5
307.06009	0.5
309.07608	1.2
311.05698	0.8
311.09106	0.9
311.12576	0.7
312.10141	1.2
313.10855	2.5
314.11557	3.3
315.08762	9.8
315.12357	0.6
316.09280	1.0
322.08261	0.5
323.09171	0.5
324.10025	0.9
325.07208	3.5
325.10602	0.9
326.07953	9.4
327.08734	17.6
327.12064	0.9
328.05713	0.8
328.09213	2.5
329.10217	1.0
329.14041	1.8
330.11121	4.6
331.11621	1.0
339.12378	0.7
340.09467	3.1
341.10321	13.3
341.14508	0.7
342.07635	0.8
342.11050	15.9
343.08200	8.0
343.11731	2.2
344.08676	0.8
345.13446	7.3
346.13705	1.1
355.11899	3.7
356.12671	8.3
357.09793	1.4
357.13470	20.6
358.10355	9.0
358.14005	1.6
359.10974	1.4
371.14984	9.3
372.15353	1.2
373.12946	62.1
374.13306	6.6
388.15314	46.0
389.15643	5.7
403.17657	100.0
404.17981	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.1
69.22175	8.4
137.02461	2.3
139.11310	1.2
168.67957	1.1
171.10292	4.6
202.35892	1.0
216.04166	1.1
223.72704	1.1
242.02182	4.2
244.03758	1.5
254.09528	3.1
256.87128	1.0
257.04602	1.9
268.03827	1.4
269.11978	2.0
270.09033	4.2
273.04211	1.6
281.08295	1.7
282.08902	7.1
283.06180	4.1
285.04086	1.3
297.07880	1.7
297.11191	2.4
298.08511	13.5
299.08987	2.1
309.07602	6.7
310.08542	2.5
313.10919	6.0
326.07990	28.9
326.11502	1.0
327.08701	17.3
327.12292	1.8
328.09375	2.5
329.23346	9.3
341.10297	30.6
342.10962	9.7
343.11935	2.9
344.12631	1.3
345.13477	1.8
355.12015	1.2
357.13409	6.7
373.12949	40.2
374.13348	5.0
388.15295	52.6
389.15613	6.2
403.17664	100.0
404.17957	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1766
Annotation	Cochliomycin A
Peak:m/z	Relative Intensity
55.22305	0.8
55.56385	0.7
56.44606	0.8
57.33119	0.8
71.31109	1.2
82.39324	0.8
99.92608	1.2
202.06451	1.4
215.03540	3.9
215.07101	1.0
228.04408	0.8
230.05791	2.6
243.02989	1.0
243.06537	1.0
243.10266	1.2
244.03667	0.9
245.08336	1.4
256.03613	1.3
257.08124	1.2
258.01950	1.4
258.05280	1.1
259.06012	1.6
271.06131	1.1
272.03342	4.5
273.04037	3.2
286.08719	1.0
287.05634	7.2
287.08957	2.0
288.06345	2.4
288.09460	1.0
297.07690	3.7
299.09232	8.3
300.06570	1.1
301.07101	2.8
302.07962	1.0
302.11481	1.3
303.08636	1.2
312.09836	1.2
313.10745	2.4
314.08218	1.1
314.11499	4.8
315.08746	7.8
317.10297	1.5
325.07275	4.5
326.07794	2.4
327.08640	4.0
327.12503	2.3
329.10327	2.1
329.14075	2.3
330.11166	4.5
338.39792	0.9
340.09399	3.8
341.10196	2.9
342.10989	2.8
343.08157	3.8
344.12762	1.2
345.13400	13.0
346.13742	1.5
355.11740	4.8
356.12695	2.3
357.13586	1.5
358.10666	1.6
359.14896	1.1
371.15015	1.6
373.12927	26.2
374.13220	3.6
387.14636	1.7
388.15280	24.3
389.15515	2.0
403.17624	100.0
404.17911	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1766
Annotation	Cochliomycin A
Peak:m/z	Relative Intensity
54.14338	0.8
54.78334	0.8
69.93784	3.4
71.05016	0.8
88.67307	0.7
98.22444	1.0
109.39156	0.6
139.11259	0.8
182.52676	0.7
187.07620	1.0
199.03941	1.3
227.03510	1.7
228.04283	2.1
231.13580	0.8
233.84726	0.7
239.07053	0.8
242.02281	1.2
242.05760	0.7
243.02948	1.6
243.06609	1.2
243.10300	5.3
244.03757	1.1
255.02953	3.5
256.03738	1.3
256.07230	1.1
257.00974	1.8
257.04556	1.9
257.08615	0.7
258.01633	3.8
258.12625	1.0
259.06094	1.5
267.06671	0.8
270.05328	0.9
271.02573	1.0
271.06195	2.0
271.09601	1.7
272.03271	10.0
272.06512	1.2
273.03986	4.1
281.08142	1.3
282.05344	1.5
282.08881	1.0
283.06137	3.5
284.06766	1.1
287.02594	1.5
287.05667	18.6
287.09183	2.9
288.06305	5.8
297.07742	4.7
298.08401	1.3
299.09167	5.0
300.06403	1.4
301.07150	0.9
302.11520	0.8
312.10153	1.5
313.10748	2.2
314.11584	3.7
315.08755	9.2
316.09036	1.3
325.07141	3.7
326.07910	6.2
327.08771	10.8
328.09372	1.4
329.14005	1.1
329.23206	2.1
330.11008	3.7
340.09491	4.7
341.10318	9.9
342.11035	9.2
343.08142	6.7
343.11710	1.2
344.08609	0.9
345.13440	6.8
346.13934	1.6
355.11835	7.0
356.12750	4.6
357.09784	1.4
357.13519	11.6
358.10394	7.9
371.15152	3.2
372.15329	1.0
373.12936	56.8
374.13318	5.8
388.15295	37.9
389.15762	3.5
403.17636	100.0
404.18051	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43923	0.6
59.03019	0.6
61.98817	1.0
79.95748	1.1
94.23962	0.6
96.96022	0.9
161.16109	0.7
164.89325	0.6
187.04083	0.7
202.06427	0.9
215.03453	0.9
241.01459	0.8
243.02939	0.9
256.03824	3.4
257.04285	0.9
258.01706	1.3
268.10980	1.0
271.06049	3.3
271.09647	1.5
271.99521	1.0
272.06674	0.9
273.04083	3.8
281.08060	3.2
286.08456	1.6
287.02051	7.1
287.09378	2.3
288.06436	2.1
296.10626	2.6
297.07758	4.5
298.08401	2.0
299.05859	1.1
299.09296	7.1
301.03531	1.7
302.04358	6.1
302.11499	1.3
303.05307	1.1
303.08795	3.6
303.11841	0.8
304.09204	0.7
309.07739	0.8
311.09512	0.8
311.12958	1.5
312.10043	3.3
313.10779	2.5
314.11636	6.8
315.05319	1.1
315.08768	6.4
315.12018	1.3
316.09238	0.7
317.06702	14.4
318.07068	1.9
324.09906	0.9
325.07230	2.0
326.07950	1.2
326.11511	0.8
327.08707	1.7
327.12408	1.5
329.10345	1.0
329.13943	3.0
330.07495	1.1
330.10944	3.7
331.08243	4.1
332.08878	1.3
339.08597	0.8
340.09470	1.8
341.10315	2.6
342.11230	1.5
343.08121	3.3
344.12543	0.7
345.09833	1.1
345.13464	5.2
346.10437	0.9
355.11948	2.6
356.12372	1.2
357.13333	1.0
358.10623	3.8
371.15311	1.4
373.12949	21.4
374.13281	3.1
387.14566	3.1
388.15286	24.6
389.15494	3.1
403.17661	100.0
404.17932	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53818	1.6
57.03445	1.8
58.04272	1.5
61.31723	1.4
71.01378	3.6
71.32036	2.7
97.94884	1.6
189.66995	1.6
203.93614	1.6
242.02255	4.4
253.08710	2.8
256.03891	3.8
257.04578	11.6
257.07678	1.6
269.08325	2.5
271.09601	2.5
272.06921	7.2
274.04953	2.6
281.08167	16.6
282.05542	2.6
282.08575	2.0
287.09338	5.0
296.07266	3.1
296.10513	13.9
297.07736	24.0
297.10934	3.1
298.08426	4.7
308.06848	2.7
309.07693	12.7
310.08002	2.3
311.09384	1.9
311.12854	16.0
312.10065	19.1
312.13339	3.1
313.10464	3.3
315.08899	3.3
315.12515	1.7
324.10120	5.7
325.07184	3.3
326.07968	19.8
326.11594	2.5
327.08679	7.8
327.12460	16.1
330.11011	2.9
339.12402	5.0
340.09589	3.5
341.10245	23.2
342.10959	6.2
345.13449	4.5
355.11954	12.8
356.12640	15.1
357.13284	14.0
371.14987	18.7
372.15363	5.2
373.12894	21.1
374.13348	3.4
376.54755	1.8
388.15335	45.6
389.15726	5.9
403.17679	100.0
404.18103	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
62.42419	0.6
65.74330	0.7
69.08990	7.0
77.70324	0.6
123.00857	3.5
124.01676	23.0
130.08765	1.3
138.03246	2.5
139.04024	22.1
145.06693	0.8
153.05563	1.0
166.27423	0.7
173.06085	9.3
174.06453	0.8
201.05592	19.0
202.06400	1.8
203.07181	3.7
209.06134	0.9
216.07904	13.1
217.08499	1.3
237.05603	1.6
239.07176	1.6
249.05640	1.0
255.06636	2.0
265.05045	2.1
267.06641	4.3
277.05075	0.9
282.08670	0.7
283.06174	5.5
287.67661	0.7
291.06641	1.4
293.04556	4.1
294.05313	2.1
295.06027	2.7
308.06985	1.3
309.07745	5.9
311.05630	14.2
311.09042	1.4
312.05942	1.7
322.20169	1.6
325.07150	1.0
326.07956	42.9
327.08231	3.8
329.23560	0.8
341.10300	58.5
342.10577	7.3
355.11630	1.1
356.12628	17.9
357.12982	2.2
363.81320	0.7
371.15012	100.0
372.15338	12.9
388.15176	1.2
403.17429	2.0
403.22919	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1765
Annotation	Cochliomycin A
Peak:m/z	Relative Intensity
53.67801	1.0
57.03437	1.9
71.01376	1.8
90.20372	1.0
197.09789	2.6
213.12846	1.6
215.03448	1.2
230.24866	1.2
241.01343	1.3
242.02255	2.4
252.52702	1.1
253.08801	2.3
256.03824	3.6
257.04523	8.3
268.11020	2.5
269.04672	1.5
269.08167	2.1
271.09741	1.8
272.06946	4.2
273.04031	1.6
274.04672	1.7
279.11417	1.1
281.08218	19.1
282.05402	1.6
282.08594	2.9
283.06308	1.3
284.10495	1.8
287.01828	1.6
287.09366	4.2
296.07321	2.3
296.10495	12.6
297.07715	23.8
297.10815	1.8
298.08316	4.0
299.09280	3.6
302.04300	1.4
304.06000	1.5
309.07724	6.3
311.09384	3.0
311.12933	11.4
312.10022	15.2
312.13321	2.3
313.10477	1.6
315.08713	2.8
324.10138	5.7
325.07120	4.5
325.10529	1.6
326.08096	9.2
326.11514	2.6
327.08655	5.1
327.12436	11.2
328.08997	1.3
330.11060	2.6
339.12479	5.4
340.09567	4.4
341.10181	11.4
342.10831	5.6
343.08124	1.4
345.13409	6.3
355.11801	11.1
356.12683	8.5
357.13400	14.1
358.10403	1.7
361.25513	1.5
371.15070	8.2
372.15295	2.6
373.12903	21.7
374.13211	3.5
388.15305	41.4
389.15683	4.2
403.17642	100.0
403.26056	33.7
404.18027	13.1
404.26572	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00961	3.2
55.27296	2.7
59.01354	4.2
65.52423	2.7
71.32293	3.2
95.01375	3.1
109.02921	3.2
111.00842	2.9
123.00835	5.5
123.04415	3.4
124.01671	24.4
135.04491	3.5
137.02431	14.5
138.03206	11.6
139.00334	9.7
139.04010	28.3
151.03957	8.5
154.02711	4.6
164.04753	4.5
173.06078	7.1
178.06290	4.2
179.03465	5.7
179.07071	8.3
180.04274	6.1
193.05116	3.2
195.06476	3.0
201.05481	12.0
206.05820	6.9
216.07823	11.7
219.06670	3.5
221.08205	4.4
271.09872	3.5
279.06696	4.0
283.06076	5.9
290.43817	3.7
309.07492	5.9
311.05386	12.0
311.08792	4.2
326.07965	28.2
327.08459	3.6
341.06503	3.8
341.10287	48.8
342.10464	5.4
343.11929	5.8
355.11575	4.5
356.12665	14.5
358.10599	4.2
371.10828	5.4
371.15002	65.7
372.15170	11.6
373.12738	17.8
374.13074	4.4
378.32306	3.3
388.10544	3.4
388.15271	55.1
389.15625	9.8
403.17404	100.0
403.25476	5.0
404.18100	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1974
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
55.01875	2.5
57.03448	2.1
58.00592	4.4
59.01382	100.0
60.01711	1.9
61.98820	3.1
71.01385	84.7
71.30275	1.3
72.01720	1.2
72.99298	6.8
73.02944	8.8
75.00873	1.1
78.95926	6.6
79.24000	1.0
83.01384	5.6
85.02953	21.5
87.00875	4.1
89.02451	77.0
95.01377	6.8
99.00891	3.3
101.02455	51.9
102.02778	1.1
108.02193	14.8
109.02970	1.0
113.02461	32.2
119.03508	41.4
121.03006	1.0
123.00896	1.9
123.04534	8.1
125.02457	2.8
125.06062	1.7
131.03503	4.4
134.04782	1.8
137.02467	2.0
138.03236	1.4
139.00365	2.1
139.04021	1.5
139.07692	1.6
143.03531	6.7
149.04561	2.3
151.04123	1.2
152.01166	27.5
152.02400	1.6
153.01604	2.0
159.03046	1.1
161.04572	17.4
164.04666	1.1
165.01926	1.7
167.03497	48.1
168.03889	1.5
168.17685	1.2
179.05630	16.0
193.01465	3.0
208.03798	6.6
223.06126	12.7
241.07355	1.2
241.14543	4.0
403.05060	1.3
403.12054	4.9
403.19830	55.0
404.20178	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1975
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
53.08479	1.1
53.58233	1.0
55.01887	6.4
57.03454	9.3
58.00593	2.9
59.01385	100.0
61.98825	3.3
63.28098	1.0
69.03449	2.8
69.32511	6.2
69.32918	2.8
71.01387	86.3
71.05015	1.3
72.01742	1.3
72.99310	4.6
73.02953	28.7
75.00880	1.4
79.63339	1.1
83.01392	11.6
85.02956	35.9
87.00892	4.6
87.04544	2.6
89.02451	30.0
95.01398	6.0
97.02986	3.1
98.22519	1.9
99.00900	10.9
99.04522	9.0
101.02451	60.2
113.02459	34.5
119.03524	12.6
119.08694	2.0
123.04488	1.6
123.08173	3.2
125.02458	2.7
125.06086	2.3
131.03502	1.5
137.02496	1.8
137.09706	3.2
139.07658	1.8
143.03546	6.1
143.07129	1.2
151.07680	4.1
159.03000	7.2
161.04578	33.8
161.09698	6.5
163.07713	3.1
164.08438	1.5
165.09175	2.3
169.08740	3.7
179.05644	1.6
179.10797	8.1
181.08754	11.2
197.11836	25.9
198.12129	2.1
205.12389	2.3
223.09787	2.6
223.13393	4.8
241.10843	35.2
241.14439	9.4
373.08588	1.5
385.13016	1.9
388.86591	1.4
403.15271	2.2
403.19846	27.1
404.20078	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91117	16.5
69.32255	100.0
69.32661	39.4
87.88053	19.0
96.96041	20.5
143.77672	20.2
165.17729	22.3
173.10634	19.7
222.82912	21.7
271.22717	27.1
377.64337	28.5
403.17432	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3219
Annotation	3beta-Hydroxy-15-[3-methylvaleryloxy]-ent-labda-7,13E-dien
Peak:m/z	Relative Intensity
61.98840	2.9
80.02687	0.6
84.99714	0.5
93.03510	1.3
95.09627	0.6
106.04292	0.7
137.02519	0.7
140.23477	0.7
194.23128	0.7
259.53412	0.7
359.33209	100.0
360.33585	13.6
403.26834	3.7
403.32159	58.1
404.27377	1.1
404.32526	7.9
412.75305	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.3
58.00595	0.8
59.01379	18.7
61.98816	0.8
71.01385	17.0
72.99291	1.8
73.02933	1.7
74.02553	0.5
75.00859	1.1
81.34682	0.6
83.01406	1.3
85.02963	3.3
87.00882	18.9
89.01956	0.7
89.02461	7.8
95.01399	0.6
98.21619	1.0
99.00951	0.7
99.92574	2.4
101.02445	4.4
109.02897	0.8
111.04520	0.8
112.98831	0.8
113.02454	4.0
115.00383	34.0
115.92077	3.6
116.00706	1.1
116.92857	2.0
119.03537	3.0
125.02410	0.8
127.00367	1.2
128.03564	0.6
131.03511	0.5
133.02962	1.5
134.03726	1.1
135.03023	1.1
137.02483	0.7
139.99416	2.8
143.03577	0.5
143.04646	0.6
155.01701	2.9
161.04581	1.6
162.52875	0.4
168.96001	1.0
173.04605	0.8
174.03345	0.7
175.02484	100.0
176.02869	3.6
178.02731	0.6
179.05544	0.7
193.03462	0.5
193.05026	2.7
199.03914	0.5
207.06602	0.6
210.97015	2.2
211.97134	0.6
215.98366	3.2
217.96658	0.6
224.59297	0.5
228.98055	1.4
230.27937	0.7
230.30042	0.5
231.00656	1.7
233.04546	1.4
243.03017	2.9
261.95712	0.6
265.05450	0.5
309.06360	0.9
321.04303	0.5
367.16046	0.6
387.01773	0.8
405.06290	3.7
405.17615	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
59.01383	8.1
61.98825	0.5
71.01385	4.0
71.29098	0.6
73.02953	0.6
73.68288	0.3
83.01380	0.4
85.02963	1.6
87.00877	8.0
89.02451	2.9
99.00926	0.5
101.02451	3.2
109.03001	0.4
113.02452	2.0
115.00402	0.4
119.03530	1.1
119.04886	0.3
123.04495	0.9
126.41200	0.3
127.17829	0.3
137.02440	0.7
138.98596	1.2
139.99393	88.1
140.99747	2.9
155.01741	100.0
156.02086	3.6
161.04550	1.8
175.02490	0.8
179.05640	0.6
180.98067	0.3
191.05499	0.5
199.04070	0.5
222.84447	0.3
225.02246	1.6
226.99686	0.4
243.03009	2.1
249.06183	6.1
283.02823	0.3
345.15408	0.6
383.72534	0.4
405.09064	3.7
405.17575	1.3
406.09213	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1191
Annotation	(-)-2,3-Dihydro-9-O-beta-glucosyloxy-2-isopropenyl-7H-furo[3,2-g][1]benzopyran-7-one
Peak:m/z	Relative Intensity
52.29916	0.4
55.01908	0.7
57.03475	1.5
59.01386	7.8
61.44979	0.4
63.02438	0.6
65.00330	4.2
67.01911	0.5
71.01389	6.3
71.31930	0.6
72.99323	0.8
73.02985	1.2
75.00906	0.4
81.03462	10.0
83.01393	4.6
85.02959	3.2
85.06618	0.7
87.00916	0.6
89.02458	3.5
95.01453	0.5
96.96071	0.7
99.00941	1.1
101.02458	4.4
107.01403	7.1
107.02065	0.4
108.76048	0.3
113.02460	1.9
115.05592	0.7
117.03495	0.6
117.37818	0.4
119.03554	1.3
121.03046	0.4
124.01703	0.5
125.02457	11.4
125.03323	0.7
131.03497	0.4
134.03876	0.3
149.02510	1.3
151.00386	17.1
152.00926	0.6
155.14474	1.1
157.06639	1.6
159.04527	1.7
160.01697	0.4
161.04655	0.5
166.02748	0.5
167.03477	0.6
171.08218	0.7
181.06566	0.7
181.16049	1.0
199.07660	13.5
199.13403	3.4
200.08064	0.8
225.05606	2.2
225.14948	1.5
243.06631	100.0
244.06970	7.9
267.06525	0.6
352.70990	0.4
385.79266	0.4
405.15643	1.7
405.21118	22.2
406.21756	2.1
420.62509	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1195
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
50.59226	0.8
59.01379	5.9
68.99802	1.6
69.03461	52.9
69.28741	6.1
69.36274	0.9
70.03822	1.4
71.01390	1.8
71.40907	0.9
73.02950	1.1
73.20862	1.0
79.01897	28.1
79.02343	1.7
81.03461	3.8
85.02966	1.6
89.02464	1.6
93.03496	1.1
95.01392	9.1
97.02960	34.2
101.02439	1.1
107.01400	66.8
108.02233	9.2
109.02952	4.9
121.02985	6.5
122.03785	1.2
123.00904	17.9
123.04539	1.2
125.02457	58.8
126.02777	1.3
133.03006	2.9
134.03745	2.5
135.00865	2.2
135.04546	1.7
136.01678	8.1
137.02455	6.9
138.03296	1.1
145.02963	1.5
149.02477	4.5
150.03204	1.3
151.00381	70.0
151.03970	1.7
152.01068	4.5
153.01958	17.0
153.05602	2.7
161.02522	1.4
163.04036	9.3
165.01965	2.1
166.06378	3.6
167.03662	1.0
168.04228	1.4
176.01196	2.1
177.01974	12.7
179.03543	1.6
187.04184	0.9
191.03534	2.3
192.04305	1.7
193.01521	2.7
193.05144	1.4
194.02319	0.8
197.06096	5.0
207.03081	1.6
207.06606	1.8
208.03799	3.9
215.07268	1.1
216.42252	1.0
223.06189	4.4
242.05867	100.0
243.06580	46.8
244.07014	3.6
250.12384	1.0
285.07697	4.5
297.06033	14.3
375.14304	1.9
405.11249	11.5
405.15945	5.0
406.12283	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1193
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
56.80217	0.4
59.01373	2.4
60.44882	0.5
65.00341	0.6
65.03973	2.4
67.01884	1.1
68.99841	0.8
70.05582	0.4
71.01393	0.7
80.02675	0.9
91.01904	38.9
92.02238	1.3
98.22643	0.8
107.01389	0.5
107.04993	2.3
108.02174	2.1
109.02959	26.1
110.03331	1.0
113.02389	0.5
121.02954	1.5
123.04497	0.6
132.15610	0.6
133.03000	1.2
135.00897	100.0
136.01227	2.9
137.02454	3.7
146.03571	0.6
149.02440	1.7
153.01952	80.3
154.02280	3.3
163.28622	0.5
165.16833	0.5
175.04015	3.5
177.01947	2.6
193.05179	0.6
197.06038	1.3
199.05338	1.1
225.05539	1.0
228.34193	0.5
232.03683	0.5
243.06625	11.2
244.06885	1.3
267.06604	0.9
297.06155	12.1
298.06317	0.6
308.90619	0.5
405.11978	8.3
406.12463	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72018	1.0
50.87219	0.8
55.01874	1.0
55.29099	1.0
55.54329	1.0
56.24156	0.8
57.03453	43.8
57.11479	0.9
58.00605	1.2
59.01383	31.8
69.04547	9.3
69.13537	0.8
71.01387	9.4
72.99322	1.1
73.02957	11.7
80.18764	1.0
81.03465	1.8
83.01387	3.2
85.02953	3.5
87.00882	0.8
89.02444	4.2
90.00220	0.9
97.06593	1.2
99.04528	100.0
100.04846	2.3
101.02448	16.9
113.02492	5.8
113.06097	3.0
118.31593	1.0
119.03489	1.9
122.06108	0.9
123.04533	6.4
125.02464	16.8
139.11293	4.5
141.05577	2.9
143.03503	2.3
161.04599	2.5
181.12329	4.2
183.10281	13.1
187.07628	2.8
191.05716	1.3
225.11336	3.5
231.06607	6.6
243.12373	24.6
244.12711	1.2
262.84799	1.2
285.13397	6.4
286.13599	1.6
305.08807	2.0
311.10303	2.7
405.24945	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32551	1.1
58.25974	1.1
59.01371	2.7
60.05077	1.7
61.98826	1.4
63.98309	1.2
69.97680	1.3
70.30963	3.4
71.01389	3.5
72.36276	1.1
80.10295	1.2
83.01381	1.4
85.02953	1.9
87.00882	6.0
101.02457	3.1
106.75510	1.3
112.09408	1.3
113.02452	1.7
125.02428	1.3
136.01662	2.6
137.02457	2.6
139.99419	3.0
149.02469	2.2
151.04044	1.9
155.01779	1.7
161.04613	3.3
164.01195	4.4
165.01944	28.3
166.02264	2.4
167.03432	1.7
177.01921	9.9
179.03514	53.6
180.04298	30.3
192.04289	3.9
194.05861	20.9
195.06635	100.0
196.07014	6.1
210.05418	3.2
225.07715	13.4
357.11874	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	1.0
59.01386	100.0
60.01709	1.5
69.14296	3.1
69.14729	4.6
71.01388	21.8
71.08339	0.9
72.99314	1.1
73.02957	5.0
83.01385	1.3
85.02953	7.5
87.00880	2.8
89.02454	15.2
95.01431	1.0
99.00889	2.0
99.05627	1.0
101.02453	12.2
102.98605	1.4
111.17588	0.9
113.02468	9.8
119.03493	6.5
125.02485	1.1
128.03526	2.2
131.03459	1.1
143.03548	1.9
143.04622	3.8
144.04945	1.8
144.55954	0.8
146.04622	1.1
153.01944	18.6
159.02957	2.7
161.04570	11.4
163.11299	1.5
168.04289	22.9
171.43701	1.0
179.05675	1.7
181.12245	1.1
183.06631	21.4
187.03992	2.6
210.08887	1.2
227.46788	0.9
231.02979	2.1
243.12238	1.3
243.16002	6.0
254.07823	1.6
272.08945	1.1
283.04947	2.0
306.07419	1.0
307.07794	2.1
326.07938	2.2
341.10220	1.1
390.13107	2.3
405.17004	3.6
405.21384	6.7
406.16559	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98834	10.9
69.87115	34.7
71.01397	43.6
71.72610	8.2
73.02942	14.8
75.00851	7.5
83.01440	6.6
85.02945	16.9
87.00866	10.3
89.02444	24.0
93.03490	9.7
93.96223	7.0
101.02441	14.8
119.03542	12.0
121.35051	7.6
145.06068	10.1
153.06717	10.0
157.08730	14.8
173.04480	9.8
183.10393	14.2
199.04123	8.1
207.06531	7.8
212.34320	8.0
225.11470	10.8
231.06589	14.2
243.02988	10.2
243.12430	16.7
255.03047	11.4
299.13663	28.0
405.11511	18.8
405.16354	19.9
405.25134	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55386	1.2
59.01385	100.0
60.87621	1.1
64.23489	1.1
69.79108	2.8
69.79523	2.8
71.01389	23.8
72.01709	1.2
73.02951	5.9
82.66344	1.1
83.01399	1.4
85.02954	9.5
85.79860	1.0
89.02440	5.0
95.01419	1.3
95.18499	1.1
99.00893	2.4
101.02451	13.1
113.02457	9.5
119.03493	1.4
134.96355	1.1
159.03015	3.2
161.04572	28.8
162.04901	1.1
183.10281	2.4
309.19955	1.3
345.15430	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
57.02600	0.7
57.03440	1.0
59.01381	100.0
60.01737	1.1
60.05229	0.7
64.27934	0.8
66.95599	0.8
69.53449	3.9
70.13591	0.7
71.01385	20.9
73.02946	4.9
83.01407	1.7
85.02946	9.0
87.00911	0.9
89.02464	2.7
95.01418	1.0
96.83968	0.7
97.02966	0.8
98.22408	1.5
99.00902	2.8
101.02449	10.5
101.03043	0.9
109.26415	0.7
113.02460	9.5
119.03545	1.0
143.03522	1.4
153.31664	0.8
159.03026	2.0
161.04564	26.1
161.05879	1.4
162.04932	1.1
183.10339	1.8
243.03169	1.2
263.81302	0.8
267.98721	0.7
292.74347	0.8
345.15494	5.4
405.17816	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65386	1.5
57.03431	2.2
59.01383	84.5
70.90105	3.2
71.01374	7.8
72.25587	1.7
73.02954	3.5
82.53654	1.7
85.02963	4.8
85.06591	4.3
89.02467	3.2
94.25170	1.8
95.01446	2.3
96.83260	1.6
97.02972	2.8
98.16820	1.6
101.02457	5.9
113.02452	7.7
139.11292	21.3
161.04497	2.4
165.09190	2.4
175.60170	1.7
181.12328	11.5
183.10274	64.3
184.10620	2.2
199.13329	5.8
217.68286	1.7
225.11366	10.5
243.12369	100.0
244.12769	7.9
285.13455	31.0
286.13336	1.9
345.15460	3.8
363.72925	2.2
380.65884	2.1
393.75610	1.9
405.17731	6.1
428.60785	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39325	0.9
57.03453	2.1
57.23746	0.9
59.01382	100.0
61.98822	1.0
62.77225	0.9
64.44468	0.8
69.01059	6.0
69.01460	1.4
69.03458	4.6
71.01377	3.8
84.32576	0.8
85.02950	1.3
85.36009	0.8
86.36955	0.9
89.02451	2.6
101.02455	2.3
106.46886	0.9
113.02444	3.4
119.03487	1.3
139.11290	7.6
143.02388	0.8
183.10271	52.8
184.10616	2.6
225.11320	1.8
243.12469	1.2
243.15829	0.9
272.23047	0.8
316.57950	0.9
405.17212	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.5
59.01385	100.0
60.01699	2.2
61.98818	2.8
63.13711	0.9
69.27596	4.0
69.28017	4.1
71.01380	12.5
73.02966	1.2
76.06603	1.0
80.92628	1.0
82.86312	0.9
85.02958	2.9
89.02463	6.6
98.22594	1.6
101.02465	7.2
106.13992	1.1
110.85537	1.0
113.02468	5.8
119.03506	3.1
128.03546	1.1
143.04639	1.2
161.04576	10.7
183.10292	21.2
243.03029	2.8
257.08173	4.3
285.07724	5.1
294.52939	1.0
306.07632	1.3
345.15570	7.7
405.17303	2.0
414.68356	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1923
Annotation	Argentine
Peak:m/z	Relative Intensity
58.49793	0.5
62.41941	0.5
69.28775	2.8
74.74252	0.5
81.03453	0.6
82.29123	0.5
95.01431	1.2
97.02951	0.6
99.12182	0.6
100.48828	0.7
108.02180	0.8
109.02965	5.7
111.00883	0.7
123.00907	3.2
124.01673	5.0
125.02456	20.4
126.02798	0.8
136.01683	0.7
137.02457	10.7
138.03246	4.8
139.00391	1.3
139.04012	2.4
140.01152	1.7
150.62595	0.5
151.00363	2.6
151.04001	3.5
152.01160	95.7
152.04655	2.6
153.01962	13.8
153.05537	0.8
154.02330	0.6
163.03998	1.3
164.04794	10.7
165.05580	18.7
166.02716	5.2
166.05865	0.9
167.03502	94.3
168.03838	4.5
170.02252	0.9
177.05687	0.8
179.07132	11.6
180.04187	1.1
181.05070	6.0
182.05241	0.5
183.06705	0.5
184.03748	1.1
191.07153	2.1
192.07980	1.0
193.08687	2.5
207.06552	0.9
220.07260	0.5
360.11914	0.9
372.15659	1.2
373.16339	0.7
375.14468	5.2
387.18176	3.2
389.16016	0.7
390.16837	46.1
390.97287	0.6
391.17224	5.7
405.19189	100.0
406.19547	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2131
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01878	1.3
57.03451	11.8
58.00601	3.9
58.02972	3.5
59.01382	100.0
60.01741	1.2
63.99766	0.7
65.08080	0.6
68.99913	3.6
69.00343	4.0
71.01386	65.7
71.05041	1.3
72.01705	1.3
72.82249	0.6
72.99315	3.1
73.02940	4.8
74.02478	3.9
82.03050	0.7
83.01389	3.5
85.02959	15.2
86.02498	1.1
87.00873	3.9
89.02450	69.5
90.02815	1.2
92.66558	0.6
95.01400	5.2
97.06624	0.8
99.00904	2.7
99.04555	0.8
99.05650	3.4
101.02449	41.4
101.07223	1.2
102.02788	0.8
102.98598	1.1
113.02458	28.7
119.03513	34.4
119.06950	0.7
120.03871	0.7
123.08218	2.7
125.02454	0.6
125.03598	0.8
125.06134	2.3
127.05141	1.2
128.03557	9.0
131.03497	3.8
133.06963	1.6
135.05711	1.1
138.05603	3.5
143.03522	5.6
143.04663	12.0
144.04758	1.2
146.04677	1.5
149.04593	2.2
153.06700	1.3
155.10768	1.5
159.03052	1.7
160.00748	1.0
161.04565	13.0
161.91460	0.8
167.08348	0.9
167.10793	5.3
177.25710	0.7
179.05757	8.0
181.12363	1.1
183.10269	1.2
189.12848	0.8
199.09763	1.1
204.06741	1.4
206.08191	3.3
207.08614	2.0
207.13812	1.4
210.08911	2.6
222.07764	2.1
225.11430	0.8
231.03090	0.9
241.10825	0.9
243.16010	16.9
244.16339	2.3
254.07828	6.3
255.08078	0.8
272.08920	6.0
273.09171	0.8
283.05057	1.0
306.07681	1.6
307.08118	3.1
329.11475	1.5
343.09518	1.0
375.16672	0.7
388.15427	1.5
402.22205	0.7
405.21411	40.3
406.16647	5.9
406.21738	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2132
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01874	2.1
57.03446	1.9
58.00586	3.1
59.01382	73.6
63.99515	0.9
69.01580	9.3
69.01971	2.4
69.03441	1.5
71.01388	57.4
71.05000	0.9
72.99303	3.4
73.02940	1.8
83.01405	2.4
85.02959	9.5
87.00890	2.1
89.02449	44.3
93.03455	1.9
95.01417	2.5
97.02939	1.2
97.06594	0.9
97.65929	0.8
99.00938	1.3
101.02447	27.6
107.01424	1.4
108.02139	1.0
108.69160	0.9
113.01249	0.9
113.02470	17.8
119.03503	19.7
119.04340	1.2
125.02460	1.9
127.11322	2.2
131.03496	1.3
137.02493	1.8
143.03514	3.1
151.00349	1.2
153.05670	1.1
153.12875	8.1
161.04544	2.8
166.06369	1.0
171.90123	1.0
179.05586	4.3
191.03458	1.0
193.01424	1.3
199.07689	1.4
199.13454	5.4
207.06610	1.4
208.03778	1.5
209.11916	1.2
225.14980	6.7
242.05991	1.6
243.03200	0.9
243.06615	1.9
243.16005	1.6
255.97299	1.1
275.99597	0.9
361.44662	1.1
375.13727	4.0
387.20038	1.4
390.16006	3.0
405.21344	100.0
406.21646	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.1
57.03446	1.9
58.00586	3.1
59.01382	73.6
63.99515	0.9
69.01580	9.3
69.01971	2.4
69.03441	1.5
71.01388	57.4
71.05000	0.9
72.99303	3.4
73.02940	1.8
83.01405	2.4
85.02959	9.5
87.00890	2.1
89.02449	44.3
93.03455	1.9
95.01417	2.5
97.02939	1.2
97.06594	0.9
97.65929	0.8
99.00938	1.3
101.02447	27.6
107.01424	1.4
108.02139	1.0
108.69160	0.9
113.01249	0.9
113.02470	17.8
119.03503	19.7
119.04340	1.2
125.02460	1.9
127.11322	2.2
131.03496	1.3
137.02493	1.8
143.03514	3.1
151.00349	1.2
153.05670	1.1
153.12875	8.1
161.04544	2.8
166.06369	1.0
171.90123	1.0
179.05586	4.3
191.03458	1.0
193.01424	1.3
199.07689	1.4
199.13454	5.4
207.06610	1.4
208.03778	1.5
209.11916	1.2
225.14980	6.7
242.05991	1.6
243.03200	0.9
243.06615	1.9
243.16005	1.6
255.97299	1.1
275.99597	0.9
361.44662	1.1
375.13727	4.0
387.20038	1.4
390.16006	3.0
405.21344	100.0
406.21646	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2134
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01866	2.0
57.03450	1.2
58.00588	1.5
59.01382	30.0
71.01388	20.5
71.31774	0.6
72.99301	1.9
73.02950	4.5
83.01392	3.6
85.02953	9.2
85.06593	3.3
85.63834	0.4
87.00876	1.9
89.02454	12.0
90.57658	0.4
95.01392	1.8
97.02954	0.5
97.06570	0.9
99.00893	3.9
101.02450	14.3
113.02462	7.4
113.09712	0.6
119.03495	4.9
124.04995	0.5
125.02395	0.7
131.03551	0.4
137.06029	0.6
143.03448	0.7
144.61307	0.4
152.01151	0.6
155.14433	7.6
161.04553	1.1
167.03476	0.5
179.05618	0.4
181.12303	0.8
181.15985	3.3
199.13399	16.8
200.13715	1.1
200.74948	0.4
225.14961	4.8
227.54880	0.4
243.19641	1.1
245.17439	0.5
300.81656	0.5
375.13101	0.4
387.20206	1.1
405.21292	100.0
406.21600	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.1
57.03446	1.9
58.00586	3.1
59.01382	73.6
63.99515	0.9
69.01580	9.3
69.01971	2.4
69.03441	1.5
71.01388	57.4
71.05000	0.9
72.99303	3.4
73.02940	1.8
83.01405	2.4
85.02959	9.5
87.00890	2.1
89.02449	44.3
93.03455	1.9
95.01417	2.5
97.02939	1.2
97.06594	0.9
97.65929	0.8
99.00938	1.3
101.02447	27.6
107.01424	1.4
108.02139	1.0
108.69160	0.9
113.01249	0.9
113.02470	17.8
119.03503	19.7
119.04340	1.2
125.02460	1.9
127.11322	2.2
131.03496	1.3
137.02493	1.8
143.03514	3.1
151.00349	1.2
153.05670	1.1
153.12875	8.1
161.04544	2.8
166.06369	1.0
171.90123	1.0
179.05586	4.3
191.03458	1.0
193.01424	1.3
199.07689	1.4
199.13454	5.4
207.06610	1.4
208.03778	1.5
209.11916	1.2
225.14980	6.7
242.05991	1.6
243.03200	0.9
243.06615	1.9
243.16005	1.6
255.97299	1.1
275.99597	0.9
361.44662	1.1
375.13727	4.0
387.20038	1.4
390.16006	3.0
405.21344	100.0
406.21646	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2134
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
53.04482	0.8
55.01837	0.9
57.03442	1.5
58.00583	2.4
59.01384	62.6
69.94292	2.8
71.01387	61.6
72.01701	1.0
72.99292	2.6
73.02934	1.5
73.62949	0.7
83.01372	2.4
85.02960	7.4
85.49500	0.8
87.00900	1.2
89.02451	30.4
91.03265	0.9
95.01380	2.8
96.61424	0.8
101.02455	22.7
101.03121	1.3
108.02167	1.5
113.02451	14.6
119.03510	15.5
121.17954	0.7
127.11323	1.6
137.02507	0.9
139.11298	1.3
143.03514	0.9
152.01149	1.6
153.12851	4.1
161.04672	1.3
179.05638	3.3
199.13402	7.5
207.13940	1.1
225.14967	2.0
227.11966	1.7
243.15877	0.9
243.77481	1.0
255.11424	3.3
285.12469	10.8
317.15161	3.4
329.11404	3.0
387.20331	2.3
405.21313	100.0
406.21710	11.2
409.42572	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2417
Annotation	Nandrolone phenpropionate
Peak:m/z	Relative Intensity
51.84133	65.2
53.95590	59.5
58.27961	57.2
61.98810	94.6
71.30815	67.2
71.31175	75.7
105.55830	67.1
107.69178	58.3
140.55507	66.8
178.65105	64.6
191.76128	69.2
235.06177	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.3
58.20362	0.8
59.01385	42.1
60.01711	1.2
61.98834	100.0
64.81967	0.8
68.99872	1.4
69.00272	6.8
71.01387	8.6
72.99290	1.1
73.02949	2.3
83.01382	1.5
83.02267	0.8
85.02965	2.4
87.00880	0.8
89.02470	5.3
89.10638	0.9
91.88812	0.8
101.02451	9.2
113.02472	4.7
119.03503	2.6
124.01620	0.8
125.01707	0.9
132.41658	1.0
157.52739	0.9
161.04564	3.5
179.05669	0.8
183.10277	2.2
183.31691	1.1
184.10678	2.1
185.11859	18.6
191.05659	1.5
227.13101	1.2
244.04869	1.1
245.17609	2.4
257.05692	1.4
259.07236	3.4
259.10965	1.0
271.07224	2.1
287.10419	4.6
313.08429	7.6
331.09219	5.2
345.10901	1.2
347.16949	2.0
406.21533	1.3
407.10983	3.0
407.22855	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.9
57.03450	4.0
57.72294	1.6
58.02982	15.6
59.01382	37.8
60.01711	2.5
61.98834	3.7
62.49697	1.9
69.41481	12.7
71.01386	43.6
72.00922	2.5
73.02942	13.5
74.02473	29.3
78.91879	2.1
81.04600	2.9
81.58965	1.6
82.02991	4.1
82.09049	1.5
83.01395	6.4
84.04565	2.2
85.02955	18.6
86.02482	11.7
87.00874	3.5
87.05657	5.1
89.02456	10.7
91.76394	1.7
95.01407	3.8
97.04076	3.5
99.00903	4.8
99.05651	27.1
101.02453	33.2
101.07220	5.2
102.05609	5.1
109.04031	3.8
111.05672	3.0
112.04046	2.1
113.02464	18.3
119.03525	5.3
124.07682	2.1
125.03580	4.5
127.05154	5.8
128.03552	76.1
133.06934	15.4
135.05649	6.3
141.06735	4.8
143.03601	3.9
143.04628	100.0
145.06218	5.1
146.04553	10.0
153.06699	6.1
159.03024	4.5
161.04570	21.7
166.09837	3.4
167.04659	5.0
167.08322	4.8
170.03374	2.8
174.11496	1.8
179.04587	23.7
180.04990	2.1
185.05659	1.9
191.05492	1.9
197.05659	4.9
209.04590	2.3
210.08861	28.8
211.13480	2.1
227.11888	2.5
228.09961	2.4
239.05684	1.9
243.16054	3.6
244.16307	4.9
245.17558	10.7
254.07823	43.4
255.08202	2.6
269.12927	4.0
272.08881	47.1
272.11856	2.4
273.09305	2.0
277.12332	6.3
287.13977	4.4
313.11765	2.4
331.12912	4.9
388.15512	10.0
406.16614	43.1
406.21622	4.8
407.07794	2.7
407.18616	3.0
407.23093	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0776
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
55.15434	0.6
59.01381	7.1
61.98828	1.7
71.01384	1.4
71.28442	0.8
85.02949	1.3
89.02440	0.8
94.21248	0.6
95.04996	0.7
101.02431	1.0
103.05506	0.7
108.02126	0.6
109.02956	5.1
113.02445	1.0
117.29787	0.6
123.04537	5.1
125.02418	0.7
137.02531	0.5
141.07097	1.3
143.04970	0.7
150.03247	0.7
151.03998	2.9
151.59431	0.7
171.04553	1.3
171.10255	0.6
175.04034	1.6
183.04541	1.2
183.13957	4.5
185.11830	20.7
186.12199	1.0
198.03194	0.7
199.04019	4.4
211.03964	1.5
212.04677	0.7
213.05559	7.8
214.02748	3.3
214.05832	0.6
215.03429	0.7
225.05548	0.9
226.02663	0.6
227.03503	17.3
227.12851	1.8
228.04269	8.6
229.04727	1.1
241.05063	1.0
242.02124	1.7
243.02977	13.9
244.03355	1.2
245.13943	18.6
246.14278	1.5
254.02261	0.7
255.02995	69.1
256.03687	23.5
257.04532	11.6
257.07123	0.5
267.02908	0.9
269.04590	7.7
270.04956	0.7
282.01685	4.1
283.02496	9.5
284.03046	1.5
285.00879	0.8
285.04074	14.1
286.04361	1.3
289.14886	0.6
297.04059	5.0
326.07642	0.6
336.98691	0.6
369.01962	1.2
371.01678	1.5
389.06775	1.5
407.07736	100.0
407.19098	2.4
408.08054	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	0.4
59.01381	7.1
60.01736	0.3
63.02425	1.3
64.75838	0.3
65.00326	7.4
69.17397	1.5
69.17814	0.9
71.01389	1.5
73.02965	0.6
79.95754	0.4
83.01392	4.1
83.01835	0.3
85.02981	0.4
89.02477	0.9
90.89807	0.3
93.03469	3.7
94.03814	0.3
100.65603	0.3
101.02500	0.9
107.01405	10.6
109.02979	1.9
113.02486	0.8
117.03470	1.7
119.03489	0.4
121.02941	0.4
123.04551	2.1
125.02463	6.1
131.05084	0.4
135.04524	2.7
137.02501	0.8
138.06656	0.3
143.05095	0.5
145.06682	0.5
149.02475	0.5
151.00381	25.7
151.04062	0.9
152.00737	0.9
155.05040	0.4
157.06668	0.3
158.03738	0.8
159.04546	3.2
161.02464	8.7
161.04622	1.0
162.02838	0.7
169.01463	0.7
169.06693	0.4
173.02586	0.5
173.06085	1.0
175.04083	1.2
177.05621	1.6
183.04514	0.8
187.04021	0.7
189.05597	0.4
193.01474	0.8
198.03186	0.4
199.03978	2.0
200.04578	0.5
201.05608	5.9
211.03992	3.3
212.04607	0.4
213.05579	2.0
214.02675	1.4
215.03426	0.5
224.69995	0.3
225.05676	0.5
227.03534	5.8
228.04240	3.4
229.04851	0.7
236.74425	0.3
239.03471	0.5
241.05135	0.9
242.02258	0.6
243.02988	4.8
244.03520	0.4
245.04562	100.0
246.04921	7.0
253.05048	1.3
255.03009	21.7
256.03735	11.0
257.04419	2.9
269.04617	3.0
281.04559	3.7
282.01648	1.0
283.02594	3.1
284.03052	0.9
285.04071	4.0
288.02673	1.9
297.04044	1.6
297.07208	0.3
298.04559	0.6
321.07620	0.3
339.08643	0.5
347.17310	1.4
389.06415	0.5
407.07675	47.6
408.08057	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.5
57.03453	2.4
57.10217	1.4
59.01384	70.9
60.07651	1.3
61.98834	2.0
65.99868	1.9
70.43820	2.9
70.44163	1.2
71.01389	16.3
72.99304	1.8
73.02950	6.5
74.99091	7.6
82.02988	12.1
83.01379	2.1
83.05049	2.2
85.02926	7.1
86.66757	1.4
87.00861	2.2
89.02454	7.4
95.01414	1.9
99.04562	2.5
101.02453	11.0
101.03010	1.7
109.02966	2.5
113.02455	6.6
119.03487	2.4
120.99686	1.7
123.04550	2.9
125.02415	1.4
126.98929	1.3
136.04030	1.9
137.02435	1.8
147.08136	2.8
149.02429	1.8
152.01096	1.7
160.07693	2.6
161.02591	1.8
161.04578	8.3
163.99223	1.4
164.03575	6.4
165.01930	3.0
165.05530	1.8
166.02705	4.9
167.03482	3.1
171.10265	11.4
174.01984	1.8
179.03519	6.2
180.04277	1.6
181.05032	2.3
188.07228	3.1
189.03120	2.3
190.03836	1.8
193.05095	1.6
195.06621	1.6
202.08783	3.2
204.05365	1.5
215.04640	2.5
215.08310	1.8
216.05428	5.5
216.07085	2.0
216.10161	2.6
217.02603	4.5
217.06128	7.7
218.06934	1.8
227.03743	4.2
227.12987	1.9
228.06703	2.1
229.06133	8.6
230.03346	1.8
230.06993	2.9
231.07787	12.0
232.08502	4.0
241.06183	4.5
242.03452	3.8
243.04179	20.0
243.07808	3.3
244.04909	10.8
244.09842	10.3
245.09447	5.5
245.17522	3.4
248.09322	3.4
255.02835	8.7
256.03900	5.5
257.05664	14.6
257.09415	2.6
258.06436	6.7
259.04504	2.3
259.07257	45.0
259.10858	6.7
260.07413	2.7
269.09219	2.1
271.07254	19.3
272.07764	1.9
285.08884	5.6
287.10394	74.0
288.08444	2.9
288.10910	4.8
291.09891	9.2
297.04776	1.8
303.09967	2.1
313.08322	100.0
314.08768	6.3
319.12994	2.3
331.05341	3.1
331.09372	58.6
332.09702	5.7
335.08807	2.1
345.11032	9.2
347.17014	13.9
357.07309	2.2
359.11142	2.6
359.15057	2.5
365.18079	4.2
375.08301	16.7
389.09888	4.1
407.10980	42.2
407.18817	15.6
408.11200	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.9
59.01382	46.3
61.98841	2.9
69.52199	3.8
69.52608	4.5
71.01394	16.4
73.02951	4.0
73.83898	1.4
74.99099	4.0
82.02983	9.1
83.01415	3.9
85.02950	8.1
87.00903	3.8
89.02450	12.7
99.00830	1.6
101.02454	16.9
113.02432	7.4
119.03548	6.3
122.06198	1.5
134.06006	1.6
160.07735	3.5
161.04620	6.1
162.04401	3.3
163.08372	1.5
164.03551	6.9
172.07874	1.8
174.05609	2.2
179.03461	3.1
179.05734	2.2
185.11891	5.4
186.05647	2.7
188.07196	3.7
189.03114	1.8
191.05728	4.5
200.07196	2.1
202.08757	3.9
215.04698	4.8
216.05434	7.8
216.06943	4.4
216.10300	1.7
217.02646	5.5
217.06165	10.1
218.06691	1.6
225.62395	1.4
227.12961	1.6
228.06676	3.2
229.06096	12.1
230.03363	2.9
230.06902	3.0
231.07724	14.8
232.08620	5.4
241.06448	2.4
242.03398	3.5
243.04070	22.0
243.07861	2.7
244.04840	14.0
244.09869	13.2
245.05159	1.5
245.09383	7.7
245.17610	7.2
248.09320	3.6
249.05295	2.0
255.03346	1.7
256.04919	8.4
257.05646	17.0
257.09494	2.2
258.06598	5.4
259.07324	42.5
259.10834	6.7
260.07401	2.9
269.09351	2.6
271.07266	24.9
272.07941	3.4
285.05582	1.7
285.08853	4.4
287.10388	76.1
288.08749	5.1
288.11276	2.5
291.09973	10.7
313.08325	100.0
314.08673	7.8
317.07809	2.1
331.09384	54.2
332.09946	3.7
335.09012	3.1
345.10892	9.4
347.17087	9.4
357.07413	3.0
359.11612	1.8
375.08417	20.6
389.10278	5.4
407.11145	55.6
407.18610	6.2
407.23413	9.5
407.27661	2.4
408.11426	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83608	3.1
59.01381	7.6
69.00459	29.5
69.00802	5.0
71.01382	7.5
75.00889	5.5
85.03011	3.5
89.02461	4.8
98.21832	7.6
101.02466	5.0
109.02967	5.9
113.63484	2.9
121.02969	7.2
122.03758	9.2
123.04501	6.1
137.02513	2.9
149.02460	57.4
150.03252	47.6
153.47672	2.9
158.06244	3.3
164.04883	18.5
165.05579	60.1
166.06009	3.9
180.04176	4.2
181.05098	3.3
195.06635	33.3
196.07410	4.1
199.03958	6.5
213.05695	4.4
214.02681	3.1
227.03580	11.5
228.04268	8.2
239.02948	3.2
243.03014	18.0
244.92041	3.2
255.03018	57.0
256.03711	33.6
257.04459	10.5
269.04575	6.0
281.04584	5.7
282.02020	3.2
283.02676	9.0
285.04102	9.8
297.04269	5.0
344.12680	11.1
359.15070	43.9
360.15311	6.0
407.07755	100.0
407.18948	16.6
408.08002	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.2
57.03451	1.4
58.00600	3.7
59.01381	100.0
60.01720	1.4
60.37876	0.6
68.83857	0.7
69.03451	2.4
69.10716	5.9
69.11132	1.4
71.01385	49.4
72.99300	4.6
73.02948	33.7
75.00878	1.4
81.03448	1.0
83.01391	3.8
85.02953	16.5
86.00121	2.4
87.00874	12.3
87.04537	4.7
89.02449	43.2
95.01371	1.6
97.02962	1.8
99.04521	0.8
101.02448	52.7
103.04018	25.0
103.04667	1.3
109.02964	1.3
113.02457	8.5
115.04028	7.8
119.03512	19.1
125.02459	4.0
127.04029	2.4
129.76469	0.8
131.03529	12.6
132.03842	0.7
143.03510	13.9
145.05077	6.9
151.99934	0.7
161.04622	1.6
163.06134	37.2
164.06506	1.1
172.80199	0.7
179.05717	2.4
191.05717	0.7
205.07170	30.3
206.07716	0.7
231.42908	0.8
243.12270	1.4
245.13142	1.1
245.53772	0.9
255.03137	1.2
265.09387	1.5
407.08206	2.9
407.19193	2.3
407.26712	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57431	1.9
57.03447	2.3
59.01385	88.1
61.50142	2.0
61.98820	3.5
69.06200	16.5
70.96729	1.9
71.01382	9.7
73.02954	3.2
83.72441	2.6
85.02929	4.4
85.66627	1.8
89.02446	7.7
101.02426	7.7
113.02502	10.0
119.03492	4.0
123.04554	3.3
165.01917	9.0
165.12863	3.1
171.10286	3.7
179.03490	5.9
180.04274	7.7
183.13853	10.6
185.11839	100.0
186.12178	5.6
194.05605	2.1
195.06590	9.9
209.11827	2.2
220.79179	2.1
225.07722	6.4
225.11330	3.2
227.13057	9.8
245.14006	15.6
255.02910	5.8
256.03879	2.5
262.60556	2.3
274.79532	2.0
287.15118	6.2
359.14996	3.5
407.08035	9.7
407.19336	18.9
407.26682	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	29.1
63.49176	0.4
65.00318	0.7
68.99796	0.5
71.01386	4.9
71.51342	0.4
73.02949	0.9
78.95905	0.8
79.46313	0.4
83.01384	1.7
85.02959	2.6
87.00878	0.8
89.02458	2.4
91.63156	0.4
93.03481	0.7
95.01357	0.6
101.02469	3.6
107.01384	0.9
108.02233	0.8
109.02957	4.9
113.02463	1.9
119.03525	0.7
121.02987	0.8
123.04538	4.3
125.02438	3.6
133.03011	0.9
133.06561	0.4
134.03795	0.7
137.02441	1.0
137.98868	0.4
139.03978	0.5
143.05017	0.5
146.03749	0.4
149.02441	0.5
150.03180	1.0
151.00418	2.8
151.04024	3.5
153.54842	0.4
159.04498	1.2
161.02420	1.5
161.04584	4.3
162.04994	0.4
163.04076	0.4
167.03560	0.4
169.02925	0.4
169.06613	0.8
171.04547	0.5
172.05247	0.5
175.04016	2.3
175.29770	0.5
177.02037	0.4
179.05594	0.9
182.03705	0.6
183.04568	1.1
185.02301	0.9
187.04007	1.2
188.04732	0.6
194.98799	0.4
199.04010	3.6
200.04710	1.1
201.02106	0.5
201.05603	1.0
204.99551	1.2
211.04022	8.3
212.04713	1.8
213.01961	0.7
213.05603	4.7
214.02759	2.3
214.05872	0.5
215.03510	1.2
225.05594	1.9
227.03502	13.1
228.04237	7.2
229.04845	1.3
234.96964	0.9
239.03510	1.0
241.05092	1.1
242.02144	1.5
243.02985	10.4
244.03261	0.7
245.04573	8.3
248.98593	1.1
253.05074	2.7
255.02998	47.1
256.03723	23.7
257.04495	7.2
269.04544	4.8
280.03812	0.8
281.04547	7.3
282.01709	3.0
282.04678	0.8
283.02509	8.3
284.03149	1.8
285.01218	0.8
285.04086	9.3
286.04437	0.7
288.02777	4.8
297.04074	4.1
297.07559	1.1
298.04752	1.2
339.08746	1.0
347.17062	4.7
363.08710	0.9
389.06744	1.7
407.07718	100.0
408.08038	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87704	1.9
57.03462	2.1
59.01384	97.6
69.22794	3.9
69.23195	12.3
71.01384	25.7
72.79264	1.9
72.99290	2.7
73.02948	5.0
74.02493	2.3
74.99085	2.3
83.01363	2.1
85.02950	11.3
86.17139	1.9
87.00871	1.9
89.02452	21.5
96.08003	2.0
98.21767	4.0
99.00861	3.3
101.02451	22.4
109.02956	6.5
113.02461	10.8
113.04214	1.8
119.03481	10.7
123.04516	5.5
125.02419	3.3
128.03534	6.3
134.03731	3.7
134.41795	1.8
136.01675	6.4
143.03470	2.2
143.04633	5.4
144.05003	2.2
145.02946	7.7
146.50574	1.9
149.02420	4.1
149.06107	3.8
149.09787	3.2
150.03265	11.1
151.04034	13.4
159.02979	2.5
161.04623	10.6
165.05585	10.2
175.04024	1.9
178.02727	2.4
179.05725	3.5
185.07275	2.1
185.11888	3.5
186.08008	2.6
187.04015	3.6
191.05591	2.3
193.05096	3.1
193.98721	2.0
195.06644	4.4
199.04004	3.4
201.10310	9.3
209.04492	2.7
211.03984	7.5
211.09084	2.5
213.05316	2.7
213.06972	2.8
214.02676	3.3
223.12396	2.6
225.05708	2.3
225.90712	1.9
227.03477	11.3
228.04291	9.1
229.05090	2.5
229.13469	2.6
242.02112	2.4
243.02966	8.2
245.17526	4.1
251.11948	3.5
253.05182	2.7
255.02989	44.5
256.03696	31.4
257.04446	9.0
257.13025	25.3
269.04578	3.1
269.12979	7.3
271.11008	2.4
281.04541	7.6
282.01593	2.7
283.02423	6.3
285.04068	7.7
286.04568	2.5
287.14029	30.6
288.02686	5.0
295.10651	3.9
297.04138	2.4
313.11908	10.9
331.13007	35.2
331.16611	3.9
332.13297	3.9
346.95630	2.2
347.17184	8.8
357.10883	4.4
359.11240	3.6
389.13696	7.7
407.07715	100.0
407.14301	21.4
407.19220	4.2
407.22748	2.1
408.08041	10.9
408.15079	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.2
57.03451	1.4
58.00600	3.7
59.01381	100.0
60.01720	1.4
60.37876	0.6
68.83857	0.7
69.03451	2.4
69.10716	5.9
69.11132	1.4
71.01385	49.4
72.99300	4.6
73.02948	33.7
75.00878	1.4
81.03448	1.0
83.01391	3.8
85.02953	16.5
86.00121	2.4
87.00874	12.3
87.04537	4.7
89.02449	43.2
95.01371	1.6
97.02962	1.8
99.04521	0.8
101.02448	52.7
103.04018	25.0
103.04667	1.3
109.02964	1.3
113.02457	8.5
115.04028	7.8
119.03512	19.1
125.02459	4.0
127.04029	2.4
129.76469	0.8
131.03529	12.6
132.03842	0.7
143.03510	13.9
145.05077	6.9
151.99934	0.7
161.04622	1.6
163.06134	37.2
164.06506	1.1
172.80199	0.7
179.05717	2.4
191.05717	0.7
205.07170	30.3
206.07716	0.7
231.42908	0.8
243.12270	1.4
245.13142	1.1
245.53772	0.9
255.03137	1.2
265.09387	1.5
407.08206	2.9
407.19193	2.3
407.26712	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12884	2.2
59.01385	97.8
71.01383	25.4
73.02939	4.3
83.01385	2.3
85.02953	6.4
87.00906	2.6
89.02449	21.8
93.03471	1.9
95.01406	2.3
101.02452	14.0
113.02461	10.8
119.03479	9.4
137.23361	1.9
161.04555	2.4
165.12845	7.6
167.10884	2.4
171.10300	3.8
183.13907	13.9
185.11841	100.0
186.12256	4.2
189.09131	2.2
191.05708	2.2
201.05577	3.1
209.11755	4.5
227.12883	31.6
245.13945	5.0
275.15070	3.1
324.49777	2.1
407.19138	58.7
407.26361	9.1
408.19446	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42812	1.2
55.01865	1.2
59.01383	100.0
59.93938	1.4
70.62287	2.5
71.01390	13.9
71.40733	1.2
73.02949	3.6
85.02963	5.9
89.02435	5.9
95.01382	1.7
99.00909	1.3
101.02466	9.0
103.88104	1.2
105.06822	1.4
113.02442	5.1
115.81283	1.1
119.03468	2.7
119.43779	1.2
126.41486	1.2
161.04601	8.1
185.11823	2.2
199.04092	1.6
227.03551	1.7
228.04282	1.9
255.03003	4.2
256.03775	4.3
285.04007	2.0
313.08469	1.8
331.09427	1.9
339.89594	1.2
347.17111	43.0
348.17490	4.9
407.07678	15.2
407.18979	3.6
408.08286	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.3
57.03449	1.4
58.00608	1.1
59.01102	1.6
59.01387	23.9
71.01386	30.5
71.05015	2.6
71.30492	1.2
72.10418	0.6
72.99305	2.0
73.02948	8.3
75.00865	0.9
83.01405	5.3
85.02956	14.7
87.00888	3.2
89.02455	9.7
95.01393	2.9
97.02956	0.9
99.00887	3.2
99.08159	2.1
101.01818	1.3
101.02456	21.5
101.06097	1.4
109.02927	0.9
111.00938	0.7
113.02467	9.5
113.28772	0.6
119.03497	2.6
123.04487	0.8
129.01903	1.1
143.03535	0.9
143.10797	0.8
149.02452	2.6
150.03221	2.7
159.03003	1.4
161.04515	4.1
165.05571	3.4
183.13913	1.3
193.56297	0.6
195.06664	1.2
199.04007	1.9
201.14966	4.9
201.96184	0.7
211.04065	1.0
214.02597	1.4
220.86931	0.6
227.03473	2.5
227.12863	1.2
228.04266	1.5
243.02921	2.9
255.03021	6.1
256.03690	4.7
257.04373	1.7
269.04510	1.1
281.04578	2.7
282.01559	1.3
283.02423	1.2
285.04089	1.7
288.02731	1.8
298.04813	1.0
359.14926	2.2
363.20215	1.4
389.06650	0.9
407.07837	25.5
407.19229	100.0
408.08029	4.1
408.19586	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2206
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
51.61845	0.7
54.67631	0.6
64.34438	0.7
64.91420	0.7
78.95910	100.0
79.32960	0.8
87.41574	0.8
90.74139	0.7
96.96036	1.5
96.96971	9.5
98.94668	0.7
109.02977	2.3
121.50773	0.7
150.98077	1.3
152.53973	0.7
152.99597	79.4
153.99968	2.0
171.00653	58.1
172.01031	1.1
227.23851	0.8
407.10883	1.8
407.22171	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.0
57.03460	2.9
58.00595	1.3
59.01382	36.2
60.01728	0.6
69.02277	5.3
71.01385	38.5
72.99299	1.6
73.02949	16.5
83.01398	5.4
85.02956	15.7
87.00878	1.6
89.02449	13.3
95.01382	2.9
97.02946	0.9
99.00874	4.1
101.02449	28.6
102.02802	0.7
113.02458	14.9
114.02781	0.6
119.03508	4.6
123.08153	0.5
127.76482	0.6
128.53827	0.6
129.01967	0.9
131.03491	0.7
131.08682	1.4
137.09770	0.7
143.03488	1.5
145.08641	0.6
147.11803	10.7
148.12083	0.8
153.12790	0.7
159.02975	3.3
161.03258	0.9
161.04562	13.5
162.04974	0.6
165.12860	1.9
179.05586	1.5
183.13866	1.8
185.11816	0.8
191.50085	0.5
197.15527	0.8
201.14928	1.1
209.15453	1.3
213.17033	0.5
221.75406	0.6
227.16505	1.8
243.16023	5.7
245.17575	100.0
246.17935	8.5
255.02998	0.9
256.03778	0.6
347.17136	1.6
407.07770	2.3
407.22882	59.4
408.23288	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.0
57.03460	2.9
58.00595	1.3
59.01382	36.2
60.01728	0.6
69.02277	5.3
71.01385	38.5
72.99299	1.6
73.02949	16.5
83.01398	5.4
85.02956	15.7
87.00878	1.6
89.02449	13.3
95.01382	2.9
97.02946	0.9
99.00874	4.1
101.02449	28.6
102.02802	0.7
113.02458	14.9
114.02781	0.6
119.03508	4.6
123.08153	0.5
127.76482	0.6
128.53827	0.6
129.01967	0.9
131.03491	0.7
131.08682	1.4
137.09770	0.7
143.03488	1.5
145.08641	0.6
147.11803	10.7
148.12083	0.8
153.12790	0.7
159.02975	3.3
161.03258	0.9
161.04562	13.5
162.04974	0.6
165.12860	1.9
179.05586	1.5
183.13866	1.8
185.11816	0.8
191.50085	0.5
197.15527	0.8
201.14928	1.1
209.15453	1.3
213.17033	0.5
221.75406	0.6
227.16505	1.8
243.16023	5.7
245.17575	100.0
246.17935	8.5
255.02998	0.9
256.03778	0.6
347.17136	1.6
407.07770	2.3
407.22882	59.4
408.23288	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2441
Annotation	Helogynic acid
Peak:m/z	Relative Intensity
57.03454	7.6
59.01376	5.8
62.37423	0.4
69.29141	3.9
76.79501	0.5
90.04004	0.5
93.58389	0.7
124.46738	0.6
137.83139	0.6
154.43767	0.6
198.59961	0.6
255.02850	0.8
258.72400	0.5
269.19150	0.9
283.20789	1.0
285.22250	14.7
286.22571	1.4
303.23297	13.4
304.23627	1.6
329.21310	2.7
343.22815	1.3
345.24377	37.6
346.24683	5.3
347.22302	2.4
359.22314	0.6
363.25436	17.0
364.25833	2.2
377.23499	1.3
389.23352	5.5
407.24432	100.0
408.24759	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47979	1.8
59.01385	25.8
61.98834	100.0
69.65570	12.4
71.01391	12.5
73.03330	1.8
78.83797	1.8
80.67402	2.2
85.02938	6.8
89.02451	7.6
93.03474	6.2
97.26905	2.4
98.22496	3.6
99.27334	1.9
101.02441	5.4
113.02464	2.9
115.07636	6.4
119.03561	2.0
127.03987	2.2
134.03746	2.8
149.04483	2.5
149.05952	2.0
150.03238	2.0
156.17815	2.0
172.05257	3.6
173.04536	7.3
173.05966	2.6
174.03235	6.0
187.03979	26.4
191.05643	23.3
193.05072	2.9
200.04759	5.3
201.09193	5.1
202.06354	44.5
203.07114	8.7
229.08730	18.4
231.10191	2.9
234.07063	4.7
246.08896	6.1
276.27704	2.6
294.09085	4.0
294.72488	2.2
309.11554	3.3
312.51556	2.1
315.84900	2.1
348.17645	4.0
353.13885	3.5
366.18338	4.8
408.19336	5.3
409.14987	8.5
410.33054	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22490	2.3
59.01384	28.9
60.01700	3.5
61.98834	100.0
63.70251	2.3
69.27805	19.7
71.01380	8.1
81.52062	2.0
85.02963	4.0
89.02445	4.0
93.45309	1.9
98.22490	4.9
101.02457	6.7
111.04514	2.3
113.02458	3.7
115.07657	5.3
118.61494	2.3
119.03510	3.2
134.03777	3.3
135.04559	4.2
173.04619	5.8
187.04047	13.3
191.05621	19.7
200.04823	2.7
201.09306	2.7
202.06369	26.8
203.07132	7.9
229.08792	10.8
246.08961	6.0
309.11368	3.3
348.17389	5.6
353.13739	5.2
366.18469	7.4
387.56314	2.6
408.19373	8.4
409.15048	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97581	0.9
56.11697	0.8
57.03447	0.9
59.01387	8.4
61.98813	1.7
69.32941	5.7
71.01379	1.8
71.29998	0.9
81.73815	0.9
89.02435	1.3
93.03462	3.5
93.37672	0.9
94.09275	0.9
95.05039	1.2
99.04523	2.7
101.02456	1.5
109.02956	2.7
113.02464	1.5
119.05003	1.2
121.02970	5.1
122.03776	9.0
123.04544	2.8
125.02464	2.5
133.02937	1.7
135.04485	1.0
136.00551	0.8
136.01648	2.6
137.02444	2.4
149.02452	38.7
150.03246	60.5
151.03867	3.7
164.04791	9.4
165.05585	100.0
166.05946	5.4
180.04303	2.3
189.05544	4.0
195.06641	18.9
196.06969	1.7
213.07744	1.5
245.08144	0.9
253.05051	1.0
285.07715	4.1
286.08548	6.5
289.07181	3.8
289.10834	3.9
301.10840	14.2
302.11270	1.9
349.18655	1.3
361.12955	38.2
362.13199	3.8
409.08185	4.1
409.15231	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	8.2
57.03444	6.5
58.00585	4.3
59.01382	75.2
61.56852	1.5
69.03474	1.6
70.61519	4.2
71.01387	90.6
72.65813	1.6
72.99318	3.2
73.02573	3.0
73.02947	30.3
83.01395	17.2
85.02954	42.1
87.00880	6.4
89.02452	23.4
95.01394	7.3
97.02959	4.1
99.00882	12.6
101.02453	100.0
102.02767	1.7
113.02460	39.7
119.03534	11.8
125.02451	5.5
125.82195	1.5
129.01958	1.9
131.03502	1.6
143.03503	6.4
159.03018	5.9
161.04568	45.8
169.76190	1.6
177.25699	1.6
179.05626	5.1
191.05629	2.3
245.04663	2.1
246.04817	3.6
247.05095	5.3
247.11874	52.2
248.12242	3.5
277.12848	2.1
349.18649	5.1
363.16531	4.3
364.17053	2.3
385.51398	1.8
409.17139	49.6
410.17636	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	7.3
55.02106	1.8
57.03449	6.3
58.00589	3.7
59.01381	98.2
61.98841	1.7
69.03439	1.7
70.78509	3.6
71.01386	100.0
72.01736	1.6
72.99306	5.6
73.02956	22.1
75.00851	2.6
76.34884	1.7
83.01394	13.7
85.02960	36.7
87.00867	10.1
89.02452	50.1
95.01405	8.2
97.02974	4.9
99.00892	12.1
101.02448	71.3
113.02460	48.6
119.03496	21.4
120.03862	1.7
121.03008	2.1
125.02423	11.3
131.03528	11.7
137.02429	6.2
141.00133	3.6
143.03497	6.0
159.03000	4.9
161.02473	2.1
161.04576	40.4
165.01949	2.6
179.05641	36.3
180.06021	1.6
183.01170	4.2
184.98396	1.8
201.11221	1.6
221.06676	42.8
222.06973	2.0
247.11920	6.0
257.32178	1.6
263.07635	6.0
289.07144	4.4
321.04376	11.3
349.18668	6.0
409.09457	2.7
409.17062	33.7
410.17795	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.177
Annotation	Streptophenazine C
Peak:m/z	Relative Intensity
63.19179	1.9
71.31181	3.5
72.00903	5.5
72.04552	4.8
74.02478	47.3
78.95905	4.9
86.06147	2.6
86.86898	1.9
92.60120	2.0
96.04552	2.2
96.96000	2.7
108.04572	4.5
110.06125	2.5
116.05072	58.9
130.06595	6.3
135.11841	3.1
142.06665	13.0
147.04387	1.9
152.99580	7.4
157.07761	13.0
159.09291	11.2
161.09680	2.6
192.13846	2.8
195.20523	2.0
203.08273	100.0
204.08553	6.2
218.11911	3.9
236.12930	26.0
262.27310	2.2
321.19800	17.0
332.57730	2.0
358.13345	2.4
365.18704	93.2
366.19055	11.5
391.09256	2.1
391.16638	3.0
409.13245	3.5
409.17792	25.6
410.19415	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02309	1.8
55.01875	3.4
55.88054	1.6
57.03447	4.8
59.01387	16.1
69.18254	5.8
69.18677	12.1
71.01109	1.5
71.01388	18.8
73.02937	4.8
80.75761	1.7
83.01384	4.9
83.05011	2.9
85.02947	8.4
89.02446	4.3
93.02852	2.0
95.05007	2.2
97.02968	11.4
101.02444	12.2
105.07121	2.2
107.05050	4.7
108.05811	8.2
109.02952	6.9
109.06634	3.6
111.04536	14.3
111.08126	2.3
111.33481	1.7
113.02462	5.6
113.06115	10.0
119.08662	3.8
122.03721	9.9
123.04594	2.5
123.08202	10.0
125.02450	3.0
125.06101	13.8
126.78165	1.9
131.03503	3.9
136.05295	10.7
137.06075	6.7
138.06877	15.9
139.07671	38.8
140.07982	3.1
148.05292	8.1
149.06200	3.8
151.07660	82.5
152.04744	7.4
152.08446	33.2
153.09245	16.7
159.11800	3.2
161.04552	4.3
161.09683	6.0
163.07651	12.7
165.09230	7.1
167.07074	4.1
178.85225	1.9
179.95267	2.6
182.17520	1.9
186.10434	1.9
188.08466	3.2
189.09216	4.5
201.12862	34.3
202.13257	2.8
203.10780	17.1
204.11555	50.8
204.13483	2.6
205.11899	2.1
209.08176	30.4
219.13905	88.7
220.14192	7.1
228.93260	2.5
245.11812	5.2
249.78499	2.7
263.12891	100.0
264.13202	7.1
277.16568	13.7
287.12912	2.7
347.94113	2.1
351.94424	1.7
353.88187	2.0
371.13547	2.4
374.79034	2.4
409.18982	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1874
Annotation	11beta,13-Dihydroglucozaluzanin C
Peak:m/z	Relative Intensity
55.01889	2.4
57.03452	1.7
57.29854	0.3
58.00596	1.3
59.01387	30.9
69.03469	0.3
69.11754	3.2
71.01391	23.0
72.99312	1.7
73.02950	5.7
76.80086	0.4
83.01390	5.0
85.02957	10.0
86.00108	0.9
87.00873	1.1
89.02457	11.9
95.01402	2.5
96.49209	0.3
97.02940	0.5
99.00873	2.2
101.02456	17.9
102.81005	0.4
111.00890	0.6
113.02467	7.9
119.03522	5.2
131.03571	0.4
143.03505	0.5
149.04514	0.4
161.04570	0.6
201.12808	0.5
203.14400	4.7
206.22388	0.4
221.15491	0.9
229.12312	1.6
247.13402	22.5
248.13666	2.0
277.16602	0.9
278.86465	0.4
312.32114	0.4
378.52478	0.3
385.23743	0.5
409.18698	100.0
410.19037	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04467	1.4
55.01873	4.9
57.03434	5.2
58.00620	1.2
59.01382	33.5
61.98836	5.0
71.01385	61.2
72.99318	4.0
73.02538	1.5
73.02950	23.6
81.03433	1.4
83.01396	12.7
85.02953	31.6
86.00080	2.2
86.72403	1.3
87.00877	3.6
89.02444	10.0
90.58883	1.3
93.03495	1.7
95.01392	5.1
96.96020	1.3
97.02975	2.8
97.06607	1.8
99.00891	12.0
101.02448	52.6
109.02962	1.8
111.00922	2.0
113.02454	25.9
119.03520	2.1
121.28064	1.1
125.02451	3.2
131.03511	2.3
137.02470	1.9
143.03539	3.7
149.04510	1.6
159.03012	5.2
161.02574	1.6
161.04568	25.7
173.04567	3.0
174.96846	1.3
181.67563	1.2
191.05685	2.2
204.11613	1.3
205.03598	1.6
209.08170	6.7
219.13925	4.2
257.03589	1.5
263.12958	3.2
277.16565	100.0
278.16968	7.8
311.09811	1.6
371.72369	1.1
409.08466	4.6
409.20871	48.5
410.21280	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
57.03445	1.5
58.00588	2.1
59.01384	100.0
60.01741	1.8
60.14851	1.2
61.58897	1.2
61.98820	4.6
62.85970	1.4
62.96882	1.3
69.04352	12.6
71.01387	32.5
72.99300	3.3
73.02949	5.7
75.00893	2.5
80.58775	1.3
83.01392	3.3
83.05028	1.8
85.02959	17.2
87.00893	4.9
89.02451	29.6
89.43090	1.3
93.03476	4.6
96.96040	9.0
97.01182	12.5
99.00879	3.3
100.42850	1.3
101.02451	29.1
109.02972	1.7
111.04553	2.3
113.02453	17.6
119.03507	17.3
134.90680	1.4
135.04524	8.3
137.02489	2.0
143.03506	3.4
149.04591	2.0
159.03061	1.9
161.04568	14.9
167.56351	1.3
173.04558	4.3
173.11905	1.4
179.03418	1.9
179.05638	5.9
187.13390	4.0
189.09048	1.9
191.05637	31.4
192.05994	1.4
203.05391	4.1
247.04268	8.1
247.13466	2.6
247.19064	1.4
263.15005	2.1
317.12497	1.4
346.72293	1.6
349.18774	15.6
384.92209	1.6
409.09952	4.5
409.20175	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.87666	1.3
68.32256	1.4
69.43335	8.5
71.01392	21.6
73.02941	5.1
83.01400	1.8
85.02946	6.8
86.80075	1.4
87.00876	2.6
89.02465	11.2
97.41267	1.4
99.00908	2.1
101.02451	15.8
113.02452	10.0
119.03512	3.4
143.03555	1.4
150.03229	2.3
159.02956	1.5
161.04588	17.2
165.05603	3.2
179.05626	3.7
180.44186	1.3
195.06538	2.0
202.30296	1.4
349.18643	44.5
350.18958	4.8
409.21298	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	5.5
56.34091	0.8
57.03444	3.9
58.00594	1.4
59.01096	1.7
59.01384	31.1
61.98833	1.3
71.01388	54.1
72.99300	1.5
73.02952	21.0
74.03297	0.8
75.00858	1.2
83.01390	13.0
85.02957	31.4
86.00091	1.1
87.00887	2.0
89.02449	10.1
95.01376	4.6
97.02961	1.5
98.21741	2.1
99.00893	11.5
101.02453	48.0
102.02781	0.9
109.02916	1.1
113.02464	22.3
114.02747	1.1
119.03444	1.0
125.02467	3.0
129.01901	1.7
131.03523	2.3
132.46091	0.8
135.04471	1.0
139.22130	1.1
142.02429	0.9
142.90691	0.9
143.03517	2.7
149.04523	0.8
159.03035	4.9
161.04576	25.6
191.05728	1.4
209.06331	1.0
209.08224	5.6
228.78152	1.2
255.03125	1.0
263.12958	1.3
277.16574	100.0
278.16983	7.3
289.07187	2.0
409.20801	45.8
410.21286	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60802	0.9
57.03443	1.1
59.01384	100.0
60.00598	0.9
60.01722	1.3
70.81203	1.8
71.01383	13.4
73.02943	2.3
85.02944	1.9
89.02455	12.7
101.02454	9.0
113.02440	5.1
119.03481	5.5
121.02941	1.1
122.03769	1.3
125.02422	1.0
137.02397	1.3
138.04857	0.9
143.03581	1.0
145.92175	1.2
149.02441	6.5
150.03232	12.9
161.04573	8.6
164.04736	2.7
165.05574	19.8
165.06892	1.7
179.05624	4.5
195.06593	3.0
213.07744	1.1
227.04173	1.0
264.28220	1.1
285.07675	1.2
289.07187	1.8
301.10837	3.6
330.02426	1.0
349.18719	19.2
350.18979	1.5
361.12885	7.4
362.13168	1.3
370.31259	1.0
373.22592	1.0
394.13400	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87545	2.0
55.01878	6.9
56.18356	2.2
57.03440	4.3
59.01385	76.8
61.98694	1.8
64.80800	2.3
69.55177	8.2
69.55589	4.3
71.01387	74.0
72.99306	2.6
73.02951	28.4
74.54618	1.9
83.01382	22.5
85.02958	32.2
87.00909	2.8
89.02467	25.4
95.01420	5.4
96.96030	4.7
97.02964	2.9
99.00902	9.0
101.02447	73.8
102.02777	2.3
103.04084	2.8
109.02969	2.2
113.02456	28.8
116.60109	2.2
119.03539	9.8
125.02497	4.0
143.03554	4.5
144.74544	2.1
159.03053	5.4
161.04556	39.1
179.05638	9.4
187.13385	11.3
237.04593	2.3
243.02925	2.2
263.15015	100.0
264.15381	4.4
269.38989	2.1
285.03867	2.3
328.64450	2.1
349.18759	23.3
409.09503	7.8
409.20947	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03080	1.5
55.01873	1.4
55.40494	1.6
58.00602	2.8
58.10389	1.6
59.01383	100.0
60.01678	2.1
66.47601	1.4
69.21912	4.6
69.22339	6.3
70.38908	1.4
71.01389	29.9
73.02947	4.3
74.99432	1.5
83.01385	2.7
85.02963	9.9
87.00900	2.7
88.24184	1.5
89.02451	29.6
90.67593	1.5
98.22533	2.7
101.02455	24.5
113.02465	17.3
119.03517	13.0
125.02442	1.7
143.03514	3.7
147.04546	3.6
148.30737	1.7
149.02490	1.8
152.88544	1.6
159.03055	2.3
161.04582	13.4
165.05606	2.6
179.05569	9.6
187.13379	8.2
196.07365	3.6
211.09760	6.0
324.13623	1.5
327.11200	1.9
349.08890	4.6
349.18640	25.5
350.19034	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.8
57.03460	4.1
58.00592	1.3
59.01382	38.4
69.03415	0.5
69.39831	1.0
69.40243	2.8
71.01387	40.9
71.16487	0.5
72.01711	0.6
72.99303	1.9
73.02950	18.6
75.00874	1.3
83.01392	10.8
85.02958	25.2
86.00108	1.4
87.00890	2.1
89.02448	5.5
95.01384	3.3
97.02949	1.2
99.00883	8.9
101.02449	52.0
102.02818	1.4
111.00926	1.2
113.02457	19.0
115.11301	1.0
119.03454	0.9
125.02470	1.3
129.01936	1.4
131.03514	27.9
132.03854	1.0
143.03497	2.3
143.61916	0.5
159.03027	3.3
161.04570	21.7
191.05624	1.1
208.24895	0.5
247.13431	2.0
253.12965	0.6
277.16580	100.0
278.16956	7.7
289.86798	0.5
320.37827	0.6
321.15628	0.6
409.18622	6.2
410.19208	0.7
432.22287	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71080	0.9
55.01885	6.7
57.03456	6.1
57.81271	0.8
58.00586	2.4
59.01383	54.8
60.59885	0.9
61.98841	5.1
67.01878	1.0
69.03438	1.8
70.30621	0.8
71.01389	71.0
71.29990	1.1
72.01709	0.9
72.99310	3.3
73.02956	30.8
75.00867	1.3
78.94788	0.8
83.01397	15.6
85.02957	33.7
86.00095	1.9
87.00863	4.6
89.02446	24.2
89.02964	1.4
95.01390	4.0
97.02937	3.8
99.00886	10.8
101.02452	69.6
102.02795	1.9
111.00896	4.1
113.02459	25.6
114.02805	0.9
115.04018	2.2
119.03490	1.1
123.04629	0.7
125.02456	4.6
128.16324	0.7
129.01935	1.4
131.03514	16.5
143.03517	2.9
149.04543	4.3
159.02988	4.4
161.04582	22.7
162.04942	1.3
191.05618	0.8
205.03596	1.2
233.06633	3.4
247.13458	3.4
259.15329	1.4
277.16583	100.0
278.16946	7.4
409.20813	74.7
410.21198	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03080	1.5
55.01873	1.4
55.40494	1.6
58.00602	2.8
58.10389	1.6
59.01383	100.0
60.01678	2.1
66.47601	1.4
69.21912	4.6
69.22339	6.3
70.38908	1.4
71.01389	29.9
73.02947	4.3
74.99432	1.5
83.01385	2.7
85.02963	9.9
87.00900	2.7
88.24184	1.5
89.02451	29.6
90.67593	1.5
98.22533	2.7
101.02455	24.5
113.02465	17.3
119.03517	13.0
125.02442	1.7
143.03514	3.7
147.04546	3.6
148.30737	1.7
149.02490	1.8
152.88544	1.6
159.03055	2.3
161.04582	13.4
165.05606	2.6
179.05569	9.6
187.13379	8.2
196.07365	3.6
211.09760	6.0
324.13623	1.5
327.11200	1.9
349.08890	4.6
349.18640	25.5
350.19034	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2362
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
52.99473	0.3
57.10363	0.3
62.96400	0.3
69.13833	2.2
78.95907	60.4
88.58767	0.3
92.64055	0.3
93.78709	0.3
96.96970	6.0
147.51814	0.3
150.98071	1.7
152.99591	100.0
153.99922	1.3
171.00626	2.5
233.30905	0.3
235.54733	0.4
255.23325	2.4
256.23837	0.4
268.59189	0.3
292.30771	0.3
327.29050	2.0
366.68082	0.3
409.23618	12.3
410.24390	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	39.2
59.81067	4.6
61.59254	4.8
64.51005	5.2
69.19108	36.0
69.19521	13.0
71.01383	37.0
72.01711	5.8
73.02944	17.0
83.01402	6.5
85.02960	14.3
89.02460	9.8
101.02459	36.0
113.02431	14.6
119.05031	6.9
125.02531	5.9
131.03528	43.9
150.03232	13.6
150.62041	5.4
151.03601	12.1
161.04604	14.2
163.04015	13.8
165.05562	24.0
166.05942	18.9
192.44640	4.4
195.06793	5.0
196.07001	6.8
222.40031	5.8
225.45944	5.2
235.11879	100.0
236.12254	9.3
247.11801	11.6
248.12247	12.5
279.14618	8.9
295.83258	6.1
367.16055	22.9
375.04910	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.9
59.01385	65.6
61.98828	10.6
69.21362	54.5
71.01382	53.1
72.00913	15.0
73.02934	16.5
74.02468	12.7
83.01384	8.6
85.02945	22.4
89.02443	27.0
93.03480	6.0
99.00882	9.5
100.00446	8.2
101.02438	51.7
113.02474	30.8
118.05111	48.0
130.46255	6.1
131.03537	45.1
135.04567	11.6
161.04579	29.9
173.04572	19.0
179.03470	8.6
191.05664	13.8
235.11882	100.0
243.84224	6.2
249.97166	6.1
271.12241	6.0
279.14502	25.9
350.18875	12.4
367.16089	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.6
57.33308	1.3
58.28891	1.1
59.01388	23.7
61.98835	100.0
71.01387	19.4
71.30006	1.4
73.02953	7.1
74.74182	1.3
77.90040	1.4
83.01385	3.2
85.02960	9.8
89.02454	9.8
95.01402	1.7
96.96016	5.3
99.00924	1.8
101.02445	20.4
102.28751	1.3
113.02443	8.7
119.03484	3.7
123.15522	1.3
131.03560	2.0
152.01112	2.7
159.03029	2.1
161.04559	6.8
167.03500	5.2
201.02206	1.2
210.09290	1.4
243.79817	1.2
247.13350	5.6
248.13725	6.4
249.15034	11.2
277.16586	1.5
278.16876	4.0
367.21167	5.0
404.88110	1.4
410.19089	9.1
411.11829	1.8
411.20276	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03841	0.8
59.01376	8.1
60.01744	0.8
61.98836	100.0
71.01386	3.6
71.27594	0.8
73.02958	1.4
85.02966	1.6
89.02477	2.0
101.02456	3.5
113.02472	1.8
161.04652	1.1
249.13516	1.5
306.62756	0.8
350.18320	1.4
381.58951	1.0
411.18976	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02541	27.8
53.69253	29.5
57.01907	28.3
58.41074	32.1
61.34099	37.0
61.98837	100.0
75.94997	27.9
98.21730	67.5
411.21619	46.6
421.80585	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.2
61.96133	0.6
71.01382	3.2
72.99303	0.8
75.00885	1.5
78.80555	0.6
80.91697	0.7
85.02961	1.0
89.02452	2.5
93.70059	0.9
96.96015	3.9
96.96989	1.0
98.90664	0.9
108.02184	27.5
113.02452	2.2
114.90164	1.2
117.05579	1.7
119.05045	1.1
123.04538	15.5
125.02543	0.8
149.04497	2.1
152.01164	37.0
153.01523	1.4
154.89607	1.1
163.04070	0.7
167.03505	100.0
168.03851	4.2
179.03574	0.7
191.05550	0.9
213.07658	1.1
229.61620	0.7
249.00601	0.8
249.03816	1.6
305.07242	0.9
313.13004	1.0
329.08871	5.7
340.84006	0.8
375.06998	1.7
381.08423	0.8
411.03021	1.4
411.09329	5.2
411.12637	1.2
411.14020	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01223	9.4
59.01374	32.0
69.09798	10.6
69.10070	95.8
71.01391	21.1
73.02957	49.9
78.95869	12.1
85.02993	14.7
89.02465	19.1
96.96002	10.8
106.41759	8.6
113.02452	18.2
115.92115	20.9
116.92886	13.4
117.05584	100.0
119.05006	52.0
121.85783	9.1
147.04489	10.5
149.02423	23.9
149.04483	10.8
149.35657	8.7
150.03220	32.6
163.04016	79.2
164.04683	11.9
164.07132	10.5
165.05576	97.4
167.03615	12.2
173.04480	11.7
189.88005	9.1
191.05728	12.7
195.06621	38.9
215.05241	9.1
327.10922	28.3
337.09207	21.0
375.04932	34.8
411.10071	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	35.0
69.62982	32.5
69.63367	31.8
71.01391	18.1
84.83932	13.7
89.02473	40.9
98.07050	13.5
108.43733	13.4
149.02454	34.3
150.03246	45.4
161.04515	19.0
162.03244	18.8
164.04768	19.9
165.05602	100.0
177.05649	17.3
179.05573	25.6
195.06630	58.9
327.10873	50.3
357.12000	23.4
367.48645	15.3
411.10623	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18903	0.3
50.70130	0.3
59.01101	0.5
59.01386	9.9
60.01710	1.1
61.01796	0.7
61.98836	2.1
69.65518	0.8
69.65930	1.1
71.01376	3.4
72.99297	0.4
73.02937	0.7
79.95747	3.4
83.01401	0.9
85.02942	1.6
87.00861	0.5
87.68211	0.4
89.02448	2.2
95.95250	0.9
96.96018	39.3
101.02444	2.6
102.02682	0.3
113.02463	1.3
116.54772	0.4
119.03521	1.0
122.46462	0.4
122.97593	14.4
125.02403	0.4
135.04506	0.4
161.04608	1.7
182.63110	0.5
191.05682	0.9
231.06961	22.7
232.07240	1.6
249.08012	1.2
265.12909	2.2
291.09210	1.2
321.09879	0.4
321.38858	0.3
351.19220	0.8
365.18204	0.8
411.13315	100.0
412.13638	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68790	4.3
59.01382	80.3
61.98810	5.9
65.89194	3.8
69.17901	37.9
71.01385	64.2
72.99316	14.1
73.02953	36.2
74.64826	4.0
75.00891	25.6
85.02959	22.1
89.02449	100.0
89.02970	7.6
95.01430	6.8
95.79996	4.0
96.96014	51.9
96.96961	7.2
98.22162	20.6
98.90696	11.9
99.00880	8.2
99.92571	3.9
101.02453	26.3
108.02164	22.9
113.02454	41.3
113.92631	5.3
114.90175	11.6
115.04016	5.9
115.92076	12.6
116.92860	6.5
117.05589	55.6
119.05045	9.9
122.62942	4.2
123.04546	12.6
125.02412	4.3
131.03502	42.3
132.98192	7.3
149.04558	61.8
152.01131	33.7
154.89713	9.8
160.06963	3.8
161.04587	8.9
163.04028	17.8
167.03491	84.3
172.90724	7.8
191.05597	29.7
213.07530	5.0
233.06602	4.7
292.80902	4.9
295.08676	4.9
305.06940	5.1
307.08521	6.7
313.12943	27.2
329.08646	4.7
333.06595	4.4
346.28955	4.0
381.08762	10.6
406.76276	5.2
411.02725	14.7
411.09625	28.2
411.14990	21.7
412.09921	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1665
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
53.74705	0.9
55.00467	0.9
55.01875	1.7
58.00577	3.2
59.01385	71.7
60.57589	0.8
71.01387	40.7
71.30342	1.4
71.30730	0.9
72.99305	3.4
73.80892	1.0
78.95910	1.2
80.53419	1.0
83.01390	3.3
85.02956	8.2
87.00873	1.5
89.02453	31.2
93.03445	1.0
95.01387	3.1
101.02451	24.5
102.02750	0.9
109.02991	0.9
109.44028	0.8
113.02470	13.8
119.03525	12.2
134.03699	2.0
135.04495	0.9
143.03493	1.1
146.03766	1.5
158.03732	1.5
159.04579	4.3
161.04596	2.1
172.05295	4.8
173.06050	8.6
174.06703	2.0
175.04033	1.2
179.05608	1.5
187.04010	4.5
187.07664	29.6
188.08031	2.1
191.05611	2.8
201.05589	9.1
202.06378	42.6
203.06764	3.6
203.10754	2.0
213.09225	2.2
216.07884	3.5
231.10289	64.6
232.10645	5.5
249.11517	1.3
367.17847	1.0
382.12643	1.8
401.94864	1.0
411.16632	100.0
412.16949	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1849
Annotation	3-beta-hydroxy-20-oxopregn-5-en-17-alpha-yl sulfate
Peak:m/z	Relative Intensity
57.03436	0.4
57.36496	0.3
61.98840	1.8
71.31969	0.5
79.95750	2.8
83.92183	0.4
91.43224	0.4
96.96022	100.0
97.95949	0.4
118.63380	0.4
163.20363	0.5
249.05727	0.5
317.01712	0.4
379.70651	0.4
411.18494	90.2
412.18839	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.5
57.03450	7.7
58.00598	2.8
59.01382	73.0
69.03463	2.2
69.38175	6.0
69.38603	4.8
71.01388	100.0
72.99297	4.0
73.02951	29.4
75.00876	2.0
81.42010	1.5
83.01400	21.6
85.02956	53.8
87.00890	6.1
89.02453	25.2
95.01380	8.5
96.94389	1.6
97.02950	2.5
99.00879	13.7
101.02452	97.2
102.02799	1.7
113.02460	47.3
114.02779	2.1
119.03514	5.0
125.02478	4.4
131.03568	2.2
143.03522	5.0
159.03030	10.3
161.04565	38.9
165.64612	1.5
173.83012	1.6
176.69740	1.7
189.63904	1.8
221.06654	1.9
249.13435	67.3
250.13828	6.0
260.50317	1.9
317.51492	1.7
351.19879	2.3
365.22464	1.7
411.18750	77.2
412.18906	5.4
426.44485	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63444	1.6
55.01884	9.9
56.25999	1.4
57.03437	5.8
58.00578	2.9
59.01381	65.2
61.98825	2.2
69.03450	1.9
69.38083	8.0
71.01385	100.0
72.01731	2.3
72.99301	4.0
73.02950	31.2
75.00848	3.9
78.95889	1.9
83.01393	18.2
85.02953	49.6
87.00874	5.5
89.02454	22.5
94.81344	2.1
95.01405	8.2
97.02955	4.6
98.22496	2.8
99.00892	15.2
101.02448	88.1
104.93350	1.6
111.00823	1.8
113.02460	45.5
114.02795	2.3
119.03506	7.9
123.29180	1.6
125.02467	4.8
129.01976	2.1
131.03517	3.0
143.03519	6.8
157.50813	1.6
159.02991	6.9
161.04559	38.9
179.05630	2.7
211.09839	1.9
221.06551	1.7
242.86287	1.7
249.13438	66.5
250.13860	4.1
254.39502	1.6
351.20151	1.9
411.18759	68.7
412.19229	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.4
57.03434	7.9
57.97042	2.1
58.00596	3.6
58.42840	1.8
59.01096	4.6
59.01383	67.9
63.28379	1.7
68.97174	5.7
68.97598	13.4
71.01390	100.0
72.99294	5.6
73.02951	32.9
75.00845	3.4
75.02097	2.3
83.01389	18.2
85.02958	45.5
87.00893	7.1
89.02447	19.8
95.01392	7.8
97.02949	4.1
99.00867	13.4
101.02449	94.8
102.02777	2.0
106.60452	2.0
111.00947	2.7
113.02461	49.6
119.03514	7.0
125.02473	4.6
129.01889	2.3
143.03491	4.8
159.02963	7.9
161.04572	37.4
171.71996	1.9
227.47400	2.1
249.13449	68.1
250.13637	4.8
351.20474	4.3
411.18750	74.1
412.19040	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2028
Annotation	Pterodontoside B
Peak:m/z	Relative Intensity
55.01870	9.1
57.03435	4.2
58.00596	2.6
59.01097	3.6
59.01384	67.7
65.65965	2.0
69.23405	16.8
71.01388	100.0
72.99315	6.9
73.02949	29.8
78.91889	3.6
83.01402	19.1
85.02428	2.6
85.02950	51.1
86.00130	3.3
87.00890	5.4
89.02454	31.3
95.01384	9.5
97.02944	4.2
98.57809	2.2
99.00890	11.1
101.02453	91.4
102.02716	2.7
113.02460	43.8
116.23338	2.0
119.03522	15.1
122.03732	2.9
125.02445	2.1
131.31363	2.8
143.03528	5.8
159.03001	9.2
161.04573	43.6
162.04865	2.2
167.03522	3.1
179.05598	3.0
200.91090	2.2
205.55440	2.6
231.13907	12.2
249.14993	11.2
253.56921	2.3
367.21436	18.9
368.21854	3.1
374.93991	2.5
381.22119	2.4
411.20163	90.1
412.20462	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2028
Annotation	(+)-Ixerin H
Peak:m/z	Relative Intensity
55.01884	9.0
57.03435	5.0
58.00589	1.5
59.01385	53.9
63.34788	1.3
71.01389	81.2
71.02903	1.3
72.01718	1.6
72.99306	2.6
73.02949	25.2
75.00867	2.7
83.01400	14.1
85.02959	40.5
87.00866	4.9
87.02504	1.2
89.02454	23.2
95.01383	6.1
98.22575	2.4
99.00899	11.4
101.02448	63.4
113.02469	31.2
117.12919	1.6
119.03510	11.4
125.02435	3.1
129.35878	1.4
131.03481	1.5
132.35638	1.3
143.03500	3.9
151.65196	1.3
155.10139	1.4
159.02991	5.5
161.04570	26.6
177.03299	1.6
185.53526	1.5
205.16054	15.5
249.14867	1.5
367.21500	6.9
367.26071	1.6
411.20276	100.0
412.20560	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2028
Annotation	Plucheoside A
Peak:m/z	Relative Intensity
55.01881	7.8
57.03457	5.9
58.00586	1.8
59.01383	42.0
60.01698	0.7
69.03459	1.4
71.01385	100.0
71.05009	3.9
71.29829	1.2
72.01728	1.7
72.99319	3.2
73.02953	27.9
75.00874	1.3
83.01392	12.5
85.02956	43.5
86.03308	1.4
87.00873	4.8
87.93726	0.8
89.02451	26.3
95.01395	5.4
97.02978	1.7
99.00880	12.5
99.04558	0.8
101.02448	66.9
102.02814	1.1
111.00898	2.2
113.02456	43.6
114.02820	0.9
119.03521	13.4
119.04983	1.9
120.03879	0.9
125.02457	3.4
125.09760	2.2
129.01953	1.9
131.03516	1.7
133.06648	1.5
134.07431	1.7
135.08179	5.2
137.02536	0.8
143.03516	6.2
146.07422	0.8
149.04616	1.2
149.08536	1.8
149.09726	37.0
150.10130	2.0
159.03015	9.4
159.08167	2.1
161.04564	54.7
162.04939	2.5
167.10928	0.8
173.09746	2.9
179.05688	2.9
187.04172	0.9
187.07722	2.0
188.08524	2.1
190.10056	1.3
201.12889	4.9
202.06374	1.9
202.10089	1.0
202.18932	0.8
205.03546	1.9
213.12900	3.3
219.13986	1.2
229.12395	1.1
231.10542	4.0
231.13905	34.8
232.14351	3.4
249.14949	30.9
250.15355	2.1
278.02347	0.9
293.13846	1.5
309.17093	0.9
348.85074	0.8
363.14484	0.9
411.20422	45.7
412.16794	0.7
412.20874	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.203
Annotation	CHEBI:69893
Peak:m/z	Relative Intensity
54.45773	1.4
57.03448	4.3
58.00602	5.5
59.01387	100.0
67.14971	1.7
71.01392	80.4
71.32086	1.8
71.32444	1.7
72.99323	7.6
73.02950	4.5
83.01408	6.4
85.02959	18.5
87.00903	4.6
89.02457	79.6
95.01375	7.1
96.96045	9.5
99.00896	2.8
101.02459	56.0
113.02464	31.9
114.02914	1.6
119.03511	39.5
128.30092	1.8
131.03528	2.7
143.03583	3.3
161.04590	3.1
168.22984	1.5
179.05614	3.0
187.14937	15.8
188.15198	2.1
231.13898	14.6
232.14360	1.7
233.11591	1.8
249.11497	1.9
251.11098	1.5
411.20297	58.3
412.20618	6.0
422.88376	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2028
Annotation	Hypochoeroside L
Peak:m/z	Relative Intensity
50.45707	1.9
57.03452	1.9
58.00631	1.6
59.01382	68.0
60.70729	1.7
61.98829	4.4
69.08781	6.7
69.09206	8.4
71.01386	48.7
72.99326	6.3
73.02946	3.2
83.01416	2.2
85.02965	8.5
87.00906	2.2
89.02450	49.9
95.01402	4.1
96.96032	2.6
98.22518	4.3
101.02454	27.9
109.90520	1.6
113.02471	16.2
119.03500	20.1
131.03513	1.8
143.03542	2.8
149.04614	2.3
161.04538	2.2
179.05617	3.7
187.14925	2.8
205.15942	2.1
231.13913	100.0
232.14198	5.8
249.14984	22.7
250.15274	2.4
260.17438	1.7
265.01614	1.8
411.20352	23.9
412.20706	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.5
57.66051	2.7
59.01387	43.6
71.01386	27.6
71.04993	3.6
72.99318	5.5
80.91688	2.4
81.22007	2.1
84.16757	2.5
85.02973	2.7
86.16627	2.2
89.02461	31.4
96.96023	28.8
99.08171	4.6
99.92590	26.8
101.02453	19.2
107.81276	2.6
109.05237	2.2
113.02477	10.7
115.92085	10.6
116.92870	3.3
118.95966	2.4
119.03549	12.8
125.09747	4.1
127.11352	3.0
139.11310	12.2
157.12357	2.9
165.12880	20.2
171.10268	14.2
173.00928	2.4
179.05655	2.9
183.13956	3.2
187.14940	4.2
193.08505	27.2
193.12219	4.2
211.13382	16.8
219.09944	2.4
221.11604	6.6
223.11818	2.7
229.14432	13.6
231.10094	5.3
231.13960	4.8
233.11617	100.0
234.11984	8.3
249.11105	9.0
251.11464	33.3
252.11534	4.7
275.08450	2.2
292.57373	2.3
294.05667	11.6
329.23355	54.4
330.23752	4.5
331.12576	2.2
351.21509	62.2
352.21613	7.2
376.13928	5.4
395.20511	3.2
411.18347	23.1
412.15402	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2908
Annotation	Topsentisterol A3
Peak:m/z	Relative Intensity
69.03470	0.5
69.69187	1.9
69.69595	0.8
97.02935	2.4
97.90691	0.5
99.04533	0.6
107.30053	0.5
120.07921	0.5
123.04572	0.7
133.67714	0.6
153.49730	0.5
155.38425	0.5
162.00104	0.6
236.09875	0.5
255.16136	0.6
328.39508	0.5
389.25183	0.5
411.29068	100.0
412.29416	15.0
413.91614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
55.96074	0.6
57.03436	1.4
58.00603	0.7
59.01387	24.5
69.50565	3.7
70.02977	0.6
71.01390	16.6
72.99297	1.5
73.02940	2.3
82.02992	23.3
83.01383	2.0
84.00122	0.6
84.04558	16.1
85.02962	11.5
87.00887	1.4
89.02457	10.1
91.05556	0.8
93.03470	3.3
95.01433	1.2
96.96011	1.2
98.22537	0.6
99.00875	1.1
100.04057	26.8
101.02446	9.1
101.04330	0.7
102.05607	3.7
102.11256	0.7
113.02458	6.0
119.03498	3.5
123.83418	0.6
125.02445	1.1
128.03558	9.7
129.01964	1.8
137.02463	6.5
146.73248	0.7
156.79631	0.6
158.24516	0.5
159.02994	0.6
161.04581	1.5
179.61803	0.7
186.04669	1.1
188.10814	2.8
204.10338	4.4
214.08757	1.1
232.09798	23.4
233.10083	1.1
250.10866	19.5
251.11186	1.9
258.82220	0.6
304.12213	0.7
412.16138	100.0
413.16418	11.8
438.31213	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01139	1.3
59.01386	13.3
61.26279	1.4
61.98836	100.0
65.99516	1.4
66.64953	1.5
71.01381	13.0
71.30524	1.7
72.99307	2.1
73.02944	3.4
75.00864	1.4
81.31191	1.6
83.01398	2.7
85.02957	6.8
87.00906	2.6
89.02459	4.2
101.02466	5.7
102.02727	2.5
113.02450	5.1
119.05042	3.7
125.02467	5.9
135.04559	8.3
137.02531	1.7
149.06081	2.2
161.02502	2.6
161.04539	3.5
162.04915	2.1
162.58983	1.5
163.04025	6.0
173.04579	3.1
175.03883	1.8
177.01979	2.2
191.03627	1.8
191.05568	4.0
193.05029	2.8
206.05376	3.0
267.07126	2.0
279.14532	5.2
280.14883	9.6
376.07132	1.6
412.18985	2.5
413.18033	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18222	8.5
54.00209	6.7
57.03456	28.7
59.01382	100.0
61.98832	27.6
65.18494	6.8
69.19083	47.7
69.19480	16.1
71.01392	84.8
73.02954	20.9
75.62650	6.8
83.01422	8.9
85.02962	26.5
87.00883	8.2
89.02440	52.7
90.90437	8.2
98.22575	17.1
99.04527	20.1
101.02453	50.0
113.02460	33.4
119.03529	19.3
125.02501	9.1
139.00276	7.6
142.22104	6.8
149.06094	9.2
150.20079	7.4
153.02028	9.9
159.03003	7.8
161.04555	26.6
173.83406	7.0
179.07225	12.0
191.07162	7.9
207.06610	25.0
208.07481	12.3
214.21931	7.9
222.08890	7.4
233.08141	11.4
235.06174	30.6
236.06929	14.9
237.73431	7.5
250.08469	31.1
251.09276	35.4
343.99057	8.0
412.20767	15.5
413.21988	23.8
415.10904	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42897	13.8
59.01381	93.3
61.98832	100.0
62.92248	13.9
69.01903	46.6
69.02323	63.5
71.01373	57.3
85.02946	18.6
89.02445	43.5
91.50914	13.3
98.22554	26.7
101.02427	44.7
113.02477	28.9
119.03469	23.6
133.67299	13.6
143.03532	17.1
162.06572	14.9
170.14055	15.2
178.14018	13.6
359.27411	15.2
412.20526	32.2
413.21732	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21081	19.1
56.28566	24.0
59.01374	75.9
62.99212	20.5
66.56562	19.4
67.99625	22.8
70.81912	31.7
71.01389	100.0
76.77914	22.6
85.02962	46.4
89.02454	82.3
90.32721	19.9
90.78901	22.0
99.00896	26.2
101.02456	71.7
113.02471	51.5
119.05037	28.1
197.22035	19.9
413.22165	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1975
Annotation	Heliosupine N-oxide
Peak:m/z	Relative Intensity
59.01381	100.0
61.98824	66.4
71.01371	72.1
73.02939	21.8
74.03148	14.0
82.04549	13.5
83.38186	13.3
85.02971	16.5
89.02460	56.1
98.21761	42.9
101.02460	63.0
113.02460	40.2
119.03494	32.4
122.03756	17.5
161.04550	21.4
180.00085	17.1
249.14966	23.1
412.20767	52.6
413.22006	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03379	15.9
61.98825	24.0
62.71701	18.3
69.32443	100.0
89.69925	19.4
98.22546	36.1
130.07768	17.6
158.13567	18.3
237.35236	18.2
238.06689	22.7
335.15720	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39534	1.5
59.01386	1.2
68.81960	1.4
69.70832	6.2
78.38600	1.4
85.65545	1.5
116.45961	1.3
138.29590	1.5
195.04724	1.6
196.01616	2.4
196.05252	2.6
209.06113	2.6
211.04028	1.7
211.07646	1.9
218.02246	3.7
221.06155	2.2
223.07663	4.3
224.04724	2.3
225.05568	4.7
227.03641	1.7
233.04561	3.7
237.05547	2.6
238.06335	2.5
239.07051	3.0
241.04964	3.9
249.05537	2.1
251.03635	2.4
251.07089	4.4
252.04192	3.9
253.05009	7.8
265.04980	2.8
267.02979	2.8
267.06674	6.0
268.03903	3.0
269.04510	9.1
271.02496	2.3
277.04913	1.9
279.02972	6.2
279.06393	2.3
280.03793	9.0
281.04538	7.9
282.05203	2.7
283.06046	2.6
285.00375	3.0
293.04550	6.0
293.07864	2.2
294.05380	4.6
295.02441	4.5
295.06094	12.3
296.06732	2.2
297.04044	8.3
297.07281	2.0
299.05707	1.6
300.02747	3.3
305.04489	2.3
306.05298	2.2
307.02753	3.0
307.06174	3.2
308.03369	9.2
309.04068	8.9
309.07428	3.1
310.04614	3.4
311.05603	6.6
312.06226	3.1
313.06802	1.7
315.05151	3.6
321.07468	3.1
322.04706	7.6
323.05551	21.2
324.02972	2.1
324.06406	4.0
325.03583	3.5
325.07114	3.8
326.07980	2.0
327.05133	2.3
327.08734	2.4
333.04239	1.6
334.04919	3.1
335.05603	9.9
336.02567	3.5
336.06207	3.2
337.03397	2.1
337.07254	5.8
338.04178	3.0
338.07996	5.2
339.05084	10.5
339.08575	2.6
340.05847	12.4
348.06174	2.1
351.05157	9.3
352.05853	9.8
353.02966	6.3
353.06674	3.7
354.07428	2.9
355.08301	21.6
365.06583	3.3
366.07523	9.3
367.04056	2.2
367.08215	26.6
368.08719	4.9
369.09753	10.1
370.10260	2.5
381.09839	17.2
382.06934	4.1
383.07681	26.0
384.08112	1.9
397.09222	6.3
398.10065	87.3
399.10724	10.5
413.12439	100.0
414.12924	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96345	0.9
59.01382	2.1
61.98829	1.3
69.15981	1.5
69.16386	6.7
98.22540	1.7
101.37969	1.0
124.01669	0.9
126.78246	0.8
140.10022	0.9
185.06096	0.9
187.40587	0.9
190.02690	1.3
195.04520	1.0
195.08177	1.2
196.01544	1.4
196.05247	1.6
197.06075	2.5
205.06540	1.4
209.06122	2.5
211.03978	1.4
211.07608	0.9
213.05637	1.2
216.04251	1.1
218.02206	4.0
221.05975	1.3
223.04010	1.6
223.07629	3.2
224.01082	1.7
224.04765	2.7
225.05588	6.1
233.04550	3.8
237.05533	3.3
238.06245	1.7
239.03461	1.7
239.07143	2.2
240.04349	1.7
240.07713	1.0
241.05104	4.8
243.02940	2.3
249.05569	1.8
251.03391	4.3
251.07137	4.0
252.00600	2.2
252.04204	2.9
253.05052	7.2
254.05737	1.3
255.03052	1.9
255.06705	1.5
257.00879	1.3
263.03476	3.1
264.04254	2.2
265.04956	2.5
265.08710	1.4
266.02322	1.6
266.05807	1.2
267.03061	4.6
267.06543	6.7
268.03860	2.3
268.07330	2.3
269.04562	6.9
271.02557	1.8
277.05118	2.1
279.03024	5.3
279.06464	2.3
280.03760	7.3
281.04434	8.6
282.05087	2.3
283.02533	2.0
283.06015	2.5
284.06888	1.1
285.00375	3.2
285.03796	1.5
292.03699	1.9
293.04572	4.3
293.07993	1.9
294.02145	1.1
294.05423	4.2
295.02536	3.4
295.06122	11.6
296.03107	2.6
296.06799	3.9
297.04028	7.1
297.07288	1.9
300.02844	3.2
305.04486	2.8
306.05121	2.1
307.02484	2.5
307.06146	4.5
308.03281	11.2
309.04041	11.2
309.07758	3.8
310.04654	2.6
310.08289	1.3
311.05701	5.5
312.06332	5.0
315.05029	1.8
321.04004	2.9
321.07535	2.2
322.04779	6.1
323.01978	1.3
323.05594	19.6
323.09076	1.1
324.06326	4.0
325.03558	3.9
325.07111	2.2
326.07919	1.2
327.05136	1.9
327.08807	2.9
334.04904	2.3
335.02286	1.4
335.05688	10.5
336.02661	2.5
336.06247	1.8
337.03607	1.7
337.07220	6.7
338.04318	1.9
338.07809	5.1
339.05045	9.9
339.08875	3.3
340.05801	15.2
341.06293	2.2
348.06317	2.7
349.07178	1.4
351.05115	11.8
351.09042	1.2
352.05820	10.4
353.02884	4.4
353.06586	2.2
353.10193	2.2
354.07315	4.6
355.08289	19.1
356.08478	2.1
363.08954	2.1
365.06641	3.2
366.07349	9.8
367.04022	2.0
367.08270	25.4
368.04855	1.2
368.08914	4.3
369.09750	11.4
381.09882	18.4
382.06860	3.3
382.10876	1.6
383.07642	22.8
383.11551	1.5
384.08121	3.3
397.09415	10.2
398.10083	82.7
399.10352	8.5
413.12445	100.0
414.12726	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.4
59.01381	100.0
70.31408	4.1
70.31804	4.3
71.01383	25.9
72.99332	3.0
73.02943	13.0
75.00804	2.5
83.01389	5.6
85.02959	15.6
89.02447	5.5
96.96977	3.6
98.22011	3.9
99.00906	5.9
99.92599	4.1
101.02454	34.1
106.44750	2.2
113.02455	9.2
115.92091	22.4
116.89922	2.0
116.92860	15.7
119.03516	2.0
125.02444	3.6
131.03503	49.0
159.03053	4.0
161.04570	10.4
167.03621	2.8
221.10312	100.0
222.10483	4.6
227.66801	2.2
241.79408	2.3
266.77246	1.9
353.14520	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02972	4.6
59.01384	34.9
69.37971	35.7
71.01385	24.2
73.02930	11.6
85.02964	15.8
87.00850	7.4
89.02455	8.4
98.21721	4.9
99.26933	5.0
100.89690	4.4
101.02470	33.6
113.02462	15.1
119.03513	5.3
119.05035	14.0
124.61090	5.6
125.02458	17.4
131.03485	42.5
134.56596	4.8
161.04553	11.9
162.86359	4.2
163.04027	10.7
176.01117	18.4
183.08153	5.4
187.10674	5.0
191.03517	28.4
191.05464	8.2
235.11862	100.0
236.12103	7.2
251.05728	4.8
267.07254	14.1
347.02060	5.0
367.16116	31.3
370.20746	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38830	0.5
55.01886	7.9
57.03450	7.1
58.00605	3.6
59.01382	37.7
68.99827	0.7
69.03462	1.8
71.01385	100.0
71.31078	1.0
72.01727	1.2
72.99324	3.9
73.02951	42.5
74.03284	0.7
75.00877	1.9
81.03500	0.6
83.01387	13.5
84.02163	0.8
85.02957	50.9
86.00127	1.9
86.03310	1.1
87.00881	47.0
88.01224	0.6
89.02452	10.4
95.01396	8.2
97.02950	3.5
99.00884	11.9
101.02451	65.2
102.02789	1.4
111.00871	2.9
113.02457	40.3
114.02834	1.1
119.03510	3.5
125.02484	1.9
129.01953	4.6
141.01898	1.0
143.03516	2.7
159.03003	10.0
161.04567	40.3
162.04874	1.0
177.12857	1.7
179.05608	1.3
189.12837	1.8
207.13902	15.7
208.14265	1.2
233.15381	1.3
251.12842	7.2
251.16444	3.4
252.13287	0.6
252.17014	0.5
261.15015	0.9
279.16034	13.4
280.16275	0.7
323.14859	0.6
351.61938	0.7
355.80621	0.6
369.19196	10.9
370.19540	1.5
413.18069	70.7
414.18307	7.4
415.54059	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35045	0.9
58.54379	0.8
59.01391	9.3
69.01452	10.1
71.01400	7.1
72.99301	1.1
79.95720	1.2
83.19263	0.9
85.02925	2.0
89.02455	5.6
92.54349	1.0
96.96021	86.5
101.02431	4.0
113.02427	3.0
119.03480	1.9
140.46475	0.9
152.40852	1.1
172.14439	0.9
249.14948	1.5
251.16589	9.7
252.16792	1.7
328.12927	1.0
378.62317	1.0
413.20105	100.0
414.20349	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73775	0.3
55.01863	0.5
59.01381	3.6
60.71196	0.3
66.30614	0.4
67.08297	0.4
71.01380	3.4
71.32070	0.8
73.02933	0.7
79.95747	2.0
85.02954	0.9
89.02467	2.2
96.96015	93.4
97.52749	0.4
101.02431	1.9
113.02432	0.6
119.03500	0.7
161.04472	0.6
165.01945	0.5
220.93922	0.4
233.15619	0.4
251.16579	2.0
278.08099	0.4
364.70477	0.4
413.20047	100.0
414.20352	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48493	0.5
53.43869	0.5
55.01879	0.9
57.03447	1.2
58.00599	1.1
59.01096	1.0
59.01382	17.3
70.40586	0.5
71.01392	16.3
72.01734	0.7
72.99294	1.4
73.02946	2.2
79.95765	2.5
83.01402	1.0
85.02966	4.8
86.38285	0.5
86.76905	0.5
89.02451	13.3
94.06838	0.5
95.01392	1.2
96.96021	100.0
97.96027	0.5
99.00887	0.8
101.02446	11.0
113.02465	7.2
119.03525	5.4
125.02448	1.0
131.48598	0.5
143.03534	0.9
161.04549	4.0
167.54591	0.6
179.05597	1.9
179.07071	0.5
233.15515	1.1
251.13063	0.5
251.16510	4.9
413.20084	92.7
414.20361	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.3
59.01385	2.1
62.65919	0.3
71.01378	0.7
71.38055	0.3
79.95745	1.8
87.39729	0.3
89.02473	0.8
91.18610	0.4
96.96018	100.0
101.02487	0.3
113.02462	0.4
125.02480	0.6
125.06129	0.5
137.02415	0.4
165.01924	0.9
193.01595	0.4
205.17221	0.4
263.67377	0.4
364.74637	0.5
413.20050	98.1
414.20370	12.3
420.70657	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73654	0.3
51.02976	0.3
66.85280	0.3
70.34860	0.7
79.19366	0.3
79.95747	2.3
86.91666	0.3
94.49313	0.3
96.96020	100.0
99.88123	0.4
123.03754	0.3
140.03088	0.3
155.04961	0.4
176.36398	0.4
178.11017	0.3
261.37610	0.4
291.89297	0.4
364.74756	0.4
413.20056	99.3
414.20389	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.03442	0.8
59.01383	6.9
60.30714	0.4
61.17801	0.5
63.29472	0.4
66.69898	0.5
66.83933	0.4
71.01389	9.9
73.02948	2.8
79.95741	2.1
83.01373	3.0
85.02960	4.5
89.02448	1.3
95.01380	0.8
96.96015	95.3
99.00874	1.8
101.02457	9.7
113.02458	4.1
144.02805	0.6
159.02963	1.0
161.04575	3.6
233.15375	1.2
251.16628	3.3
364.74533	0.7
369.22931	3.0
413.20084	100.0
414.20401	12.0
435.92709	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2185
Annotation	Dendromoniliside A
Peak:m/z	Relative Intensity
53.47833	1.3
55.01889	3.3
57.03455	4.9
58.00610	1.9
59.01383	40.3
65.79223	1.3
69.11906	3.2
69.12299	11.1
71.01389	47.1
72.36584	1.4
72.99331	2.8
73.02956	14.9
83.01384	8.8
85.02955	24.1
87.00926	3.1
87.04551	3.2
89.02455	14.2
89.02898	1.5
95.01456	3.5
96.96022	27.1
97.03009	1.8
98.21980	6.5
98.95637	1.8
99.00869	7.1
101.02454	40.4
111.00896	2.3
113.02451	18.6
119.03550	5.1
125.02450	1.4
135.08258	3.4
137.02455	1.5
143.03560	1.9
145.67671	1.5
147.91461	1.3
159.03041	4.3
161.04591	17.0
161.13272	1.4
163.11316	3.1
168.24419	1.6
233.15623	6.5
235.13412	2.1
235.17203	2.6
249.15141	2.5
251.16533	38.8
252.16878	2.3
369.22812	9.4
407.61530	1.4
411.86325	1.4
413.21820	100.0
414.22195	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.1
57.03442	4.3
58.00593	3.5
59.01384	100.0
60.13840	1.2
69.21908	1.2
69.22513	6.9
69.22825	1.1
71.01388	88.2
72.01736	1.3
72.99308	5.6
73.02952	19.3
75.00874	1.1
83.01392	10.9
85.02477	2.2
85.02962	30.3
87.00873	4.6
89.02454	72.1
95.01390	7.5
97.02953	2.7
98.21707	1.7
98.55054	1.1
99.00902	5.3
101.02453	67.3
102.02800	1.9
113.02462	43.1
119.03506	28.7
120.40193	1.2
125.02469	4.0
131.03506	3.5
143.03529	7.4
149.04617	2.4
159.03012	6.6
161.04578	33.1
177.12860	7.4
179.05621	12.5
251.16539	20.9
252.16942	2.3
413.16855	1.6
413.21899	31.7
414.22269	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2186
Annotation	Dendromoniliside A
Peak:m/z	Relative Intensity
55.01875	2.5
57.03442	2.2
58.00581	1.6
59.01385	33.9
69.03461	0.8
70.28694	1.5
70.29028	1.2
71.01391	32.9
72.01696	0.8
72.99290	1.4
73.02951	5.8
75.00879	0.8
76.03399	0.8
83.01384	4.7
85.02966	11.5
87.00902	1.9
87.04524	4.9
89.02456	14.9
93.03471	4.8
95.01408	2.3
96.96045	0.8
99.00893	2.3
101.02459	21.8
104.40325	0.7
111.00914	0.9
113.02447	10.1
117.75974	0.7
119.03527	5.2
119.56404	0.7
122.03691	0.7
125.02513	0.9
135.08173	10.4
137.02452	10.6
144.45201	0.7
147.08195	2.0
150.85785	0.7
159.56114	0.9
161.04573	4.1
163.11368	4.5
163.12521	0.8
179.05618	1.0
179.40240	0.7
192.91542	0.8
205.12337	1.2
207.13875	0.9
233.15482	8.0
235.13412	6.1
236.13753	0.9
249.15016	2.5
251.16539	72.8
252.16873	6.3
369.22952	1.1
413.21835	100.0
414.22232	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2185
Annotation	Dictamnoside L
Peak:m/z	Relative Intensity
55.01880	1.8
57.03456	5.4
59.01385	14.8
59.98512	1.1
69.03452	6.5
70.06248	3.2
71.01390	21.7
71.05007	2.9
72.99316	1.1
73.02967	6.3
75.00867	0.8
79.95766	0.7
83.01367	3.8
85.02461	1.5
85.02954	12.5
85.06589	1.0
87.00913	1.5
89.02448	4.8
89.84216	0.7
95.01407	2.5
96.96023	3.6
99.00887	2.9
99.04538	10.8
101.02450	12.4
108.19781	0.7
113.02478	8.2
119.03517	1.8
125.02407	1.0
129.01953	1.4
161.04613	1.7
165.01959	2.4
173.83424	0.7
190.63139	0.8
233.15515	1.2
235.17049	8.1
236.17415	1.2
251.16534	100.0
252.16852	8.4
330.65808	0.7
413.21838	76.2
414.22220	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26910	0.7
55.01885	2.3
57.03448	3.5
58.00603	4.3
59.01382	100.0
60.01733	1.4
71.01385	65.5
72.01736	1.0
72.99313	5.6
73.02955	7.4
83.01387	4.9
83.05053	1.3
85.02950	15.1
87.00904	2.7
89.02451	68.2
92.67492	0.7
95.01393	4.6
96.96011	13.5
96.96529	0.9
99.00893	1.6
99.04605	0.9
101.02449	45.4
102.02819	1.3
111.84435	0.9
113.02455	27.8
117.01939	3.9
119.03509	36.6
122.15685	0.8
122.69263	0.9
125.02500	2.8
131.03551	3.0
134.43726	0.8
135.08202	1.1
143.03577	3.4
145.10277	1.2
149.04663	1.7
161.04553	6.4
163.11317	4.2
179.05606	4.7
181.12401	1.3
207.13876	0.9
233.15491	4.7
251.16547	6.5
259.06189	1.5
277.74933	1.0
343.17892	2.5
395.20749	4.4
413.21719	33.0
414.22119	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2185
Annotation	Tentoxin
Peak:m/z	Relative Intensity
55.01871	8.2
56.23700	1.9
56.96928	1.6
57.03436	4.9
58.00614	2.5
59.01098	3.2
59.01384	57.3
69.24622	14.1
71.01386	91.9
73.02950	39.5
76.95093	1.7
83.01389	19.6
85.02959	45.7
86.00102	4.6
86.03275	2.9
87.00879	4.1
89.02453	12.2
95.01396	8.4
97.02959	3.4
99.00892	18.9
100.13161	1.7
101.02451	100.0
102.02805	3.4
103.48716	1.8
111.00887	3.9
113.02454	34.3
119.03477	3.0
122.07367	1.8
125.02449	2.3
129.01993	2.6
129.71404	1.6
143.03487	5.0
159.02982	10.4
161.04572	42.7
205.03490	2.5
251.16536	32.5
288.88824	1.8
369.22839	38.1
370.23514	4.2
413.21835	78.8
414.22067	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69017	1.0
54.51192	0.9
55.01876	2.5
57.03429	3.7
59.01383	38.7
59.94990	1.0
69.48506	0.9
70.04814	1.2
71.01388	51.5
72.99276	1.7
73.02943	13.5
75.00845	1.3
78.40586	1.1
79.95715	2.3
83.01371	7.0
85.02486	1.4
85.02959	19.8
86.00105	1.1
87.00865	3.0
89.02450	24.7
95.01392	4.8
96.96019	90.7
98.21976	5.1
99.00875	5.6
101.02451	35.9
111.00929	1.1
113.02460	24.4
113.03183	0.8
119.03516	8.0
119.21202	1.0
125.02480	1.2
131.03485	1.4
143.03465	1.8
151.84869	1.0
159.02956	3.4
161.03300	1.6
161.04558	28.4
177.74188	1.0
179.05551	2.0
233.15480	4.9
251.16527	77.5
252.16873	7.8
369.22778	14.6
370.23065	1.9
413.20142	100.0
414.20615	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2186
Annotation	Dictamnoside L
Peak:m/z	Relative Intensity
53.26910	0.7
55.01885	2.3
57.03448	3.5
58.00603	4.3
59.01382	100.0
60.01733	1.4
71.01385	65.5
72.01736	1.0
72.99313	5.6
73.02955	7.4
83.01387	4.9
83.05053	1.3
85.02950	15.1
87.00904	2.7
89.02451	68.2
92.67492	0.7
95.01393	4.6
96.96011	13.5
96.96529	0.9
99.00893	1.6
99.04605	0.9
101.02449	45.4
102.02819	1.3
111.84435	0.9
113.02455	27.8
117.01939	3.9
119.03509	36.6
122.15685	0.8
122.69263	0.9
125.02500	2.8
131.03551	3.0
134.43726	0.8
135.08202	1.1
143.03577	3.4
145.10277	1.2
149.04663	1.7
161.04553	6.4
163.11317	4.2
179.05606	4.7
181.12401	1.3
207.13876	0.9
233.15491	4.7
251.16547	6.5
259.06189	1.5
277.74933	1.0
343.17892	2.5
395.20749	4.4
413.21719	33.0
414.22119	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2187
Annotation	Dictamnoside L
Peak:m/z	Relative Intensity
55.01892	4.0
57.09115	2.7
57.31746	2.6
58.11375	2.5
59.01385	51.0
59.40485	2.5
60.02745	2.3
61.98811	3.4
69.00741	15.8
69.01151	5.2
69.03458	5.9
71.01390	48.5
72.15120	2.8
72.99340	5.2
73.02957	3.8
78.23544	2.6
83.01402	5.0
85.02962	15.0
89.02457	37.6
90.02818	2.5
95.01411	5.1
96.96061	8.7
98.95654	7.5
101.02461	38.9
113.02483	20.6
119.03506	23.5
127.81877	2.8
149.04529	2.6
168.34718	2.8
179.05655	5.4
233.15462	47.5
234.15967	2.9
251.16580	19.5
273.51239	2.8
276.05774	2.7
361.29883	2.8
413.22070	100.0
414.22476	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2335
Annotation	epoxyfarnesyl-5,7-dihydroxy-4,6-dimethylphthalide
Peak:m/z	Relative Intensity
59.01370	3.3
61.57428	1.4
69.58824	9.2
73.45489	1.5
91.81530	1.8
95.01383	1.8
95.05038	1.6
105.03440	9.1
119.05045	13.6
121.02995	2.3
123.04508	1.7
132.02168	4.8
133.02969	59.6
136.01666	13.1
137.02435	7.2
147.04532	14.4
151.04077	2.1
153.05605	9.0
177.01927	15.6
187.74725	1.6
192.04276	17.5
199.96941	1.6
398.21124	7.3
413.23309	100.0
414.23584	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2337
Annotation	epoxyfarnesyl-5,7-dihydroxy-4,6-dimethylphthalide
Peak:m/z	Relative Intensity
59.01385	2.1
60.55367	1.5
61.00992	1.7
65.91127	1.5
67.53698	1.4
95.04998	1.8
100.55484	1.5
105.03487	11.4
119.05021	6.7
121.02953	2.2
125.23527	1.5
132.02155	2.9
133.02972	73.0
134.03232	1.8
136.01689	15.1
137.02396	5.7
147.04506	10.7
151.03949	2.4
153.05606	8.3
160.01646	2.8
163.03979	2.4
175.03951	1.8
177.01953	17.0
178.02379	1.6
192.04321	9.2
369.24280	1.6
398.20880	11.3
413.23248	100.0
414.23541	10.8
428.52899	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77200	0.7
69.26349	5.0
72.29720	0.7
80.09546	0.7
85.08140	0.7
89.03902	0.8
92.25443	0.7
93.03426	1.2
95.05017	2.9
105.03469	11.0
119.05042	11.0
120.05379	0.8
121.02950	3.6
123.04497	0.9
132.02196	4.1
133.02969	82.1
134.03310	1.8
136.01680	14.4
137.02492	4.2
147.04527	13.3
151.04033	2.3
153.05582	9.6
160.01646	2.4
164.04800	0.9
175.04024	2.3
177.01945	19.9
178.02461	1.2
187.07660	0.9
192.04291	12.6
193.04912	1.6
329.05634	0.7
369.24631	0.9
369.30038	1.1
398.20993	11.1
399.21304	1.3
413.23340	100.0
414.23691	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78646	15.9
59.01389	100.0
71.31638	24.3
81.79307	15.8
128.36481	16.7
129.49574	15.9
137.92268	16.9
172.76308	17.5
413.30655	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3064
Annotation	14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione
Peak:m/z	Relative Intensity
50.41466	1.1
59.38141	1.0
62.19550	1.1
69.18611	2.7
69.19014	6.4
79.24277	1.1
98.22610	1.9
104.16183	0.9
163.26270	1.2
167.67819	1.0
168.69843	1.1
229.21169	1.3
382.52869	1.1
413.30618	100.0
414.30936	18.2
425.68274	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3064
Annotation	14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione
Peak:m/z	Relative Intensity
50.03192	1.0
57.47538	1.0
58.91852	0.9
66.89283	1.1
69.13079	7.9
85.17153	1.2
99.23794	1.2
109.14867	1.1
395.29489	1.7
413.30624	100.0
414.30933	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96761	19.6
58.41306	20.4
59.01372	78.4
61.98827	91.2
66.53983	20.6
69.03435	25.7
69.67049	100.0
71.01370	51.8
85.02946	41.6
89.02457	36.1
93.03433	32.3
101.02486	22.2
108.02162	27.8
109.02936	38.8
113.02445	29.9
125.02421	35.2
137.24817	23.4
152.01154	37.8
173.04588	34.1
191.05579	68.2
191.07133	31.1
253.10782	30.5
259.82129	24.5
281.94376	20.8
415.12079	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	8.5
59.01381	94.2
61.98821	16.5
67.36913	10.6
68.67024	11.8
71.01385	100.0
71.31693	12.2
73.02922	15.6
74.96179	11.3
85.02935	32.7
89.02441	62.4
95.37173	10.7
101.02438	47.2
113.02439	26.0
119.03490	32.0
125.02450	16.5
126.91472	9.7
161.04573	25.7
173.42261	10.9
187.82391	14.8
224.06686	9.5
278.28412	10.3
415.18988	22.3
415.23776	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	4.2
55.65955	2.4
56.86433	2.3
57.03455	2.8
58.00580	3.9
59.01385	100.0
71.01387	82.5
71.31287	3.2
72.99297	6.5
73.02956	16.1
78.92712	2.0
83.01399	5.1
85.02959	24.2
87.00874	4.2
87.24911	2.5
89.02454	72.0
95.01402	5.9
96.96034	2.3
99.00887	6.6
100.78334	2.1
101.02457	56.6
113.02463	33.8
119.03529	28.0
131.03491	2.3
161.04590	20.6
162.04880	2.5
174.49223	2.1
175.72055	2.1
179.05600	6.2
252.16745	2.6
253.14488	7.1
253.17787	3.4
370.23148	3.9
414.21930	3.3
415.19751	17.3
415.23691	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	7.5
59.01379	86.5
71.01388	100.0
72.01731	7.8
73.02937	30.8
83.01405	15.2
85.02946	39.8
87.00890	18.5
89.02454	51.7
95.01374	11.7
99.00937	11.2
101.02452	58.9
105.40789	7.7
108.33482	6.9
113.02470	46.3
119.03503	23.4
161.04562	29.5
200.86610	7.7
229.92972	10.2
247.23119	7.6
294.04630	7.8
395.38690	7.6
414.18533	23.3
415.23782	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21094	1.1
55.01860	3.0
57.03438	2.6
59.01097	1.8
59.01385	42.4
69.03447	4.8
69.04399	8.9
71.01387	42.6
72.99310	2.8
73.02947	13.3
79.01962	1.0
83.01414	6.5
85.02958	16.4
87.00880	3.4
89.02448	23.2
95.01405	5.1
96.96013	3.9
97.02977	2.7
99.00869	4.5
101.02452	34.3
101.06082	3.5
107.01398	1.9
109.02906	1.6
111.00864	1.5
113.02455	18.1
119.03532	7.9
121.02991	1.7
123.00877	4.7
124.01681	18.2
125.02455	64.1
126.02797	1.3
127.01236	1.0
136.01637	1.1
137.02432	1.4
137.09669	1.0
143.03462	2.0
149.98378	1.6
149.99594	31.9
151.00211	1.2
159.02974	2.2
161.04573	12.7
168.00653	58.9
169.01294	4.8
179.05672	1.4
198.27480	1.2
235.17151	1.4
240.64459	1.4
253.18062	3.0
273.71152	1.2
305.96829	1.2
360.25159	1.0
395.29391	1.2
397.11438	4.6
397.22144	1.9
415.12488	100.0
415.23419	93.6
416.12762	8.5
416.23676	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00241	0.8
50.03591	0.8
50.65520	0.9
52.07186	0.8
57.01757	1.0
59.01371	2.5
66.82383	0.8
69.56353	3.1
71.01390	5.3
73.02943	9.5
78.12641	0.8
81.03442	2.4
82.69397	0.7
83.01404	1.2
85.02966	4.5
89.02425	1.1
93.09090	1.0
95.01404	4.5
99.00889	1.1
101.02423	2.1
108.02187	90.6
109.02970	77.7
110.03284	1.8
111.12679	0.9
113.02464	1.9
117.05604	1.4
121.02991	2.3
123.00891	3.8
135.00777	0.9
151.03979	1.9
151.79362	0.8
152.01169	88.0
153.01971	38.0
154.02353	1.8
163.04031	1.3
165.01901	2.0
219.12761	0.8
268.71631	0.9
315.07278	3.6
357.08395	1.8
371.09879	10.9
397.11380	4.0
415.12494	100.0
416.12811	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06951	1.0
57.03448	2.2
58.24886	1.0
59.01375	5.6
62.22408	1.0
69.03452	1.1
70.43266	3.0
71.01394	7.0
71.05009	2.7
73.02953	8.7
81.03446	3.1
85.02956	7.4
88.05723	1.1
89.02441	1.9
93.03435	1.7
95.01411	5.8
97.02927	1.3
99.00857	1.4
101.02442	4.3
108.02184	100.0
109.02972	80.8
109.03588	1.3
110.03337	2.7
113.02441	3.3
113.55818	1.2
117.05540	1.3
121.02966	14.8
123.00868	3.1
123.04509	2.0
125.02466	1.5
128.68877	1.2
137.50975	1.2
138.36102	1.1
151.04002	3.2
152.01163	88.9
153.01961	38.9
154.02272	2.5
159.16849	1.2
181.05029	1.3
188.45586	1.3
192.07858	1.7
207.10236	2.6
253.10829	6.6
263.59125	1.1
297.06265	1.8
315.07162	3.9
357.08313	4.8
371.09866	7.9
379.16232	1.4
397.11362	4.8
415.12418	97.7
416.12790	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1612
Annotation	2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01883	2.3
58.00600	4.2
59.01383	91.1
60.01698	1.4
63.31108	1.2
69.01399	12.3
71.01386	72.5
72.99317	2.3
73.02957	15.6
83.01392	5.0
85.02961	12.2
86.00127	1.5
87.00883	6.6
89.02451	100.0
99.00888	3.1
101.02450	45.9
101.03131	2.6
102.02764	1.5
112.28925	1.3
113.02457	13.9
119.03506	7.5
125.02460	4.6
125.09696	1.4
125.32327	1.4
131.03508	37.6
149.04568	53.3
161.04552	3.8
191.05620	20.0
283.11938	7.4
303.09070	1.3
415.16174	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1613
Annotation	Sayaendoside
Peak:m/z	Relative Intensity
55.01888	1.7
57.03451	1.5
58.00597	4.5
59.01383	100.0
60.01741	0.6
69.22304	3.8
69.22705	0.9
71.01388	65.6
72.01731	1.0
72.99308	3.1
73.02951	4.7
82.35020	0.5
83.01403	2.6
85.02959	11.9
87.00894	2.7
87.01343	0.4
88.89063	0.4
89.02453	95.7
90.02779	1.5
95.01405	1.9
97.02959	0.5
99.00885	5.0
101.02454	33.8
102.02789	0.5
105.75355	0.4
113.02458	18.0
119.03519	14.1
125.02420	1.8
127.85448	0.5
129.01935	1.7
131.03517	53.6
132.03853	1.6
143.03516	3.6
149.04572	20.3
161.04613	2.8
173.04507	0.9
179.05624	5.4
191.05623	31.1
192.05913	1.2
251.07753	0.6
283.11884	0.5
294.82556	0.5
369.78207	0.5
439.20950	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1614
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01889	1.5
57.03447	1.9
58.00599	3.0
59.01383	83.1
69.03457	1.4
69.26952	3.5
69.27380	1.6
71.01389	68.8
71.46590	0.5
72.01755	0.8
72.99318	3.0
73.02951	15.7
78.61935	0.6
83.01424	2.6
85.02960	12.1
87.00882	2.6
89.02453	100.0
90.02812	1.1
95.01402	1.9
97.02935	1.1
98.21766	1.0
99.00893	11.3
101.02450	37.5
102.02813	1.0
113.02466	14.6
119.02676	0.8
119.03507	10.9
125.02446	3.8
131.03510	19.0
132.03784	0.9
143.03465	2.8
149.04567	43.1
150.04915	1.3
153.93558	0.6
161.04573	4.5
179.05635	4.8
191.04001	0.9
191.05626	12.5
192.11977	0.6
193.29448	0.6
221.06494	1.3
251.07722	1.3
275.55621	0.6
283.11917	3.5
293.08746	0.7
319.65057	0.6
382.09778	0.6
415.16129	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.4
61.98823	0.9
65.97474	0.4
69.53696	2.3
71.01384	3.9
73.02943	2.0
85.02970	2.2
89.02464	1.2
95.01373	0.5
101.02467	1.9
108.02180	10.3
109.02985	7.6
113.02465	1.3
117.05647	0.6
119.03500	0.5
121.02985	1.1
123.00932	0.6
123.04549	0.7
125.02423	1.0
135.04501	2.5
145.02969	1.6
146.03751	57.7
147.04416	3.3
151.04057	0.5
152.01163	9.6
153.01956	4.5
153.76337	0.4
159.02937	0.4
161.04645	1.4
161.06090	17.3
162.06398	0.5
163.04036	2.1
164.04803	38.9
165.05148	1.9
167.03465	0.6
167.05124	0.5
179.07150	100.0
180.07468	5.7
202.11511	0.4
221.38377	0.4
235.06171	1.9
236.06258	0.6
253.10875	0.8
289.07269	0.5
315.07092	0.6
317.25134	0.5
350.72040	0.4
371.09894	1.6
415.12430	11.8
416.13086	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03896	0.8
69.69971	4.6
83.97141	0.9
98.21862	1.1
98.57085	0.9
149.02426	1.6
150.49327	1.0
161.06184	1.0
164.71992	0.9
217.05101	2.1
219.06599	1.8
231.06613	1.3
240.07880	1.2
256.07510	2.9
258.05435	1.0
272.06714	1.1
273.07214	0.9
281.04379	1.3
284.06885	1.3
295.05908	1.1
296.06897	6.6
297.07278	1.0
299.09070	1.5
311.09241	3.2
312.06317	2.9
323.05548	1.4
324.06393	3.4
325.03525	2.7
325.07227	2.5
326.23196	1.0
327.08673	6.0
338.07962	1.0
339.08786	2.8
340.05817	11.9
340.09137	1.3
341.06180	1.4
354.07434	2.4
355.08234	33.7
356.08685	4.3
357.13510	4.1
369.09845	5.1
370.10583	43.3
371.11044	4.6
373.55185	1.0
385.12952	100.0
386.08713	1.4
386.13312	10.7
400.15305	52.4
401.15735	5.8
415.17627	84.1
416.17999	13.4
438.31714	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58814	0.3
54.72615	0.3
55.01874	0.6
57.03442	0.4
59.01380	5.6
61.98826	0.3
66.67645	0.3
71.01385	8.0
71.29993	0.3
73.02950	2.1
75.80399	0.3
79.95741	2.6
83.01385	0.8
85.02957	2.8
87.00866	0.4
89.02436	4.3
95.01371	0.5
96.96016	100.0
99.00892	0.7
101.02454	5.6
106.49229	0.3
109.02901	0.3
112.51270	0.3
113.02459	3.5
119.03503	1.8
125.02420	0.3
136.84586	0.3
143.03500	0.5
159.02992	0.4
161.04616	1.8
165.01935	0.8
179.05719	0.4
209.15302	0.4
223.58716	0.3
243.17558	0.7
245.19142	0.6
253.14473	1.1
253.18068	1.0
284.49860	0.4
305.11227	0.3
320.68744	0.3
387.27539	0.3
415.17938	81.1
416.18268	9.5
416.23105	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94454	0.2
55.01873	0.6
57.03460	1.6
58.00591	0.4
59.01382	12.8
67.23283	0.3
69.00120	2.9
69.03459	5.0
69.88879	0.3
71.01389	9.0
72.99325	0.4
73.02946	0.8
80.05672	0.2
83.01409	0.8
85.02963	2.8
87.00894	0.5
89.01897	0.4
89.02451	8.1
95.01393	1.0
95.05030	1.4
101.02454	4.1
107.05028	0.7
109.06598	9.8
110.06924	0.3
111.70471	0.3
113.02461	5.4
119.03503	3.1
121.02935	0.3
121.06592	0.4
123.08184	1.0
123.76027	0.3
131.03476	0.4
143.03517	0.4
151.00407	0.3
161.04536	1.1
161.09740	1.2
161.13397	0.7
163.11311	6.7
164.11633	0.4
175.11314	3.0
179.05644	2.0
189.12875	1.8
191.14430	39.7
192.14748	2.8
193.12323	2.3
197.18019	0.3
203.14177	0.3
205.12482	0.4
207.14030	0.3
209.15477	4.7
210.15903	0.4
217.12393	0.7
233.15511	0.5
235.13405	25.1
236.13802	1.6
253.14467	100.0
254.14813	8.2
277.14432	2.6
295.15494	2.4
355.17535	0.5
415.19720	1.8
415.23587	1.7
416.19775	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
57.03445	0.6
59.01089	0.5
59.01385	7.8
64.69269	0.3
69.17958	3.2
71.01392	10.8
72.99324	0.4
73.02957	2.4
79.95762	2.3
83.01391	1.6
85.02950	3.8
87.00887	0.8
89.02449	5.7
89.69629	0.3
95.01410	0.5
96.05837	0.3
96.96022	82.5
99.00900	0.8
101.02454	6.7
109.41421	0.3
113.02460	5.4
119.03510	2.7
125.02421	0.6
134.32704	0.4
143.03487	0.4
149.33054	0.4
159.03059	0.7
161.04546	5.0
171.10252	0.3
179.05685	0.8
215.85562	0.3
253.14491	2.3
253.18167	0.6
262.93420	0.4
281.71860	0.4
307.29144	0.3
397.22430	0.7
415.21628	100.0
416.21936	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76102	1.5
58.78918	1.3
60.66577	1.5
71.32117	2.1
74.99101	6.4
77.00674	66.0
106.62892	1.6
120.92172	1.5
149.09737	1.7
163.11290	3.3
187.11319	2.5
220.93495	1.7
258.82214	1.7
267.04388	1.8
280.14560	2.0
304.58777	1.7
307.17291	1.7
337.21759	100.0
338.22168	10.8
415.23209	13.3
416.23654	2.8
423.28549	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.7
57.03450	3.0
58.00580	3.5
59.01385	83.4
60.17458	1.6
68.40473	1.2
71.01387	80.0
71.29846	1.7
72.99305	6.6
73.02951	13.1
79.95727	2.6
83.01384	7.9
85.02953	22.3
87.00874	4.7
87.44592	1.3
89.02454	60.8
90.02801	1.7
95.01405	4.0
95.71015	1.4
96.96018	100.0
98.22266	1.6
99.00876	4.7
101.02458	52.1
102.02769	1.2
113.02462	33.1
119.03506	31.9
121.19693	1.3
125.02492	2.0
131.03493	2.6
141.16264	1.3
143.03540	3.7
145.02992	1.5
146.03760	1.7
149.04526	2.2
159.03018	3.2
161.02505	1.7
161.04565	19.1
162.03180	3.5
178.02748	1.7
179.05586	6.0
193.05052	3.7
253.18013	4.9
345.19305	1.8
415.17960	72.3
415.23178	23.4
416.18256	9.7
416.23602	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.6
57.03456	1.1
58.00602	3.7
59.01385	100.0
60.01715	1.1
62.19198	0.4
65.30301	0.5
69.03471	0.7
69.13737	0.5
69.20972	3.7
71.01388	65.5
72.01739	0.9
72.99313	4.0
73.02948	4.0
79.56409	0.5
83.01391	3.4
84.02177	0.6
85.02959	14.0
87.00856	3.2
88.59338	0.5
89.02453	77.6
90.02792	1.5
95.01396	3.8
98.06946	0.4
98.22543	0.9
99.00883	1.6
101.02453	35.5
102.02797	1.0
113.02461	27.3
114.02777	0.5
119.03513	33.6
120.03829	0.6
125.02475	0.7
131.03520	3.2
143.03514	4.8
149.04564	3.0
161.04596	7.0
179.05612	5.7
404.51135	0.5
415.23495	5.3
416.23178	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93765	0.4
52.67813	0.3
52.78793	0.3
55.01884	2.5
57.03450	2.0
58.00577	1.3
59.01385	20.1
68.99812	0.3
69.03433	0.4
69.07026	2.9
69.07375	0.6
71.01389	18.5
72.01684	0.5
72.99310	1.7
73.02953	5.1
78.91025	0.3
82.34203	0.3
83.01389	4.8
85.02958	9.9
86.00086	0.8
87.00867	1.3
89.02448	4.8
95.01382	1.3
96.96032	0.8
98.22547	0.7
99.00896	1.9
101.02451	11.3
111.00881	0.7
113.02462	4.9
119.03493	1.3
125.02470	0.7
143.03528	0.3
151.00288	0.4
159.02956	0.4
159.56969	0.3
161.04539	1.4
161.05823	0.4
229.14439	0.4
253.18089	4.4
310.60159	0.3
387.27689	0.9
397.22308	2.3
415.23380	100.0
416.23721	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.3
57.03444	2.1
58.00582	1.4
58.63256	1.1
59.01381	36.5
64.16035	0.9
69.06892	7.1
71.01386	35.3
72.99298	1.3
73.02943	9.5
83.01388	4.7
85.02955	16.2
87.00871	2.6
89.02451	16.1
90.02768	0.9
95.01389	2.4
96.95996	8.8
98.95599	12.7
98.96305	1.8
98.96407	1.7
99.00886	3.4
101.02444	30.6
113.02460	15.2
113.16328	0.9
119.03500	5.8
143.03545	1.7
159.02951	2.6
161.04564	13.3
203.14427	1.0
205.15952	2.6
221.15535	8.8
223.16982	3.5
233.15504	4.5
235.16930	1.1
251.16533	8.2
253.18089	100.0
254.18442	8.0
259.91251	1.0
371.97479	1.0
374.43173	0.9
378.02817	0.9
415.23773	76.0
416.24152	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01695	0.1
55.01879	1.6
57.03450	1.0
58.00605	1.1
59.01383	22.8
68.55890	0.2
69.01104	0.2
69.03474	0.4
70.52422	0.2
71.01389	21.6
72.01711	0.3
72.99306	2.0
73.02960	2.8
81.29297	0.2
83.01396	3.3
85.02962	7.1
86.00104	0.4
87.00902	1.0
89.02452	8.6
95.01391	1.7
96.96038	0.4
98.21957	1.6
98.22634	0.3
99.00908	1.1
101.02454	10.2
111.00891	0.4
113.02459	5.9
119.03515	2.7
125.02401	0.4
131.03503	0.2
143.03522	0.5
161.04601	0.5
179.05640	0.6
235.17036	3.8
236.17371	0.2
248.09601	0.2
253.18108	7.4
254.18512	0.8
279.40686	0.2
313.14514	0.3
371.19067	0.3
397.22430	1.6
398.22363	0.3
406.30701	0.2
415.23389	100.0
416.23755	12.3
416.29477	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
57.03436	1.8
58.00596	1.0
59.01097	0.8
59.01384	14.7
69.03144	5.2
71.01390	12.7
72.99320	1.1
73.02962	4.1
78.78983	0.6
83.01400	3.9
85.02966	6.0
86.00078	1.7
89.02443	2.2
95.01426	1.0
98.21845	2.0
98.22530	1.4
99.00869	1.1
101.02457	8.1
113.02439	3.6
119.57664	0.6
136.33090	0.6
219.87137	0.6
253.18117	2.6
374.82126	0.6
397.22339	1.3
405.30997	0.8
415.23401	100.0
416.23718	11.3
416.28864	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.3
57.03458	1.6
58.00605	1.4
59.01387	34.5
69.17617	5.6
71.01391	31.3
72.99358	1.3
73.02955	7.6
79.83420	0.9
83.01000	0.8
83.01400	4.2
85.02961	12.5
86.11227	0.7
87.00940	1.1
89.02451	15.3
89.02952	1.1
95.01441	3.5
96.96022	7.5
97.02975	1.3
98.95609	9.2
98.96498	1.3
99.00938	2.5
101.02453	32.9
102.02783	1.0
113.02467	13.9
113.03160	1.1
119.03527	5.2
123.08165	0.8
130.75813	0.9
131.03636	0.9
134.16560	0.7
143.03551	1.1
159.03026	1.5
161.04591	14.4
173.13213	0.8
205.16133	2.4
221.15546	6.6
222.15903	1.0
223.17203	3.3
233.15569	5.0
251.16524	7.6
253.18121	100.0
254.18477	7.9
267.72101	0.8
387.16202	0.8
415.23737	80.8
416.23956	12.9
428.33554	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01695	0.1
55.01879	1.6
57.03450	1.0
58.00605	1.1
59.01383	22.8
68.55890	0.2
69.01104	0.2
69.03474	0.4
70.52422	0.2
71.01389	21.6
72.01711	0.3
72.99306	2.0
73.02960	2.8
81.29297	0.2
83.01396	3.3
85.02962	7.1
86.00104	0.4
87.00902	1.0
89.02452	8.6
95.01391	1.7
96.96038	0.4
98.21957	1.6
98.22634	0.3
99.00908	1.1
101.02454	10.2
111.00891	0.4
113.02459	5.9
119.03515	2.7
125.02401	0.4
131.03503	0.2
143.03522	0.5
161.04601	0.5
179.05640	0.6
235.17036	3.8
236.17371	0.2
248.09601	0.2
253.18108	7.4
254.18512	0.8
279.40686	0.2
313.14514	0.3
371.19067	0.3
397.22430	1.6
398.22363	0.3
406.30701	0.2
415.23389	100.0
416.23755	12.3
416.29477	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61119	1.1
54.38417	1.3
55.01874	5.2
57.03447	4.1
58.00592	5.8
59.01382	92.7
67.55902	1.3
71.01387	100.0
71.28616	1.4
72.01752	1.8
72.99313	5.1
73.02956	22.6
75.00871	2.4
82.28392	1.2
83.01389	10.1
85.02960	36.3
87.00869	3.9
89.02451	66.9
90.02816	1.2
95.01380	7.1
96.96040	3.2
97.02975	2.2
99.00886	7.8
101.02449	74.9
103.58151	1.4
113.02458	44.8
114.02779	3.0
119.03513	28.2
123.04552	1.4
125.02464	3.8
131.03552	4.0
143.03510	7.9
159.02994	7.4
161.04573	43.1
162.05038	1.9
168.00711	3.2
179.05602	8.7
205.03552	1.8
253.14391	1.9
253.18063	4.3
397.22556	6.2
415.11392	2.3
415.23495	67.7
416.23764	6.5
432.68604	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2858
Annotation	6alpha-Testosterone Enanthate
Peak:m/z	Relative Intensity
54.48961	0.6
55.44970	0.6
76.82016	0.6
112.13110	0.7
130.92282	0.6
149.80714	0.6
169.05803	0.6
182.70782	0.6
228.76736	0.6
339.78833	0.6
397.27533	1.3
415.28561	100.0
416.23495	1.3
416.28876	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2859
Annotation	6alpha-Testosterone Enanthate
Peak:m/z	Relative Intensity
59.01356	0.8
69.07161	1.1
69.07564	5.3
75.62108	0.7
125.43080	0.7
215.17741	0.8
244.67238	0.8
361.13290	1.7
371.29379	1.0
371.91077	0.8
378.61026	0.8
397.09967	4.4
398.10388	1.1
415.28561	100.0
416.28952	14.9
416.58002	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04527	1.2
70.61546	1.8
70.61877	1.5
73.45491	1.3
79.43323	1.6
125.23135	1.3
131.06787	1.3
135.49753	1.4
157.06427	1.3
279.26950	92.6
280.27277	9.5
297.27975	1.8
323.25919	41.3
324.26141	4.5
341.26968	100.0
342.27234	11.1
415.30682	41.3
416.31192	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.322
Annotation	EnP(5,8)
Peak:m/z	Relative Intensity
55.34248	0.5
59.01384	0.8
61.04311	0.5
69.08947	0.6
75.28768	0.5
81.38201	0.5
81.60316	0.5
81.61564	0.5
98.22562	1.0
101.51011	0.6
110.00932	0.5
157.60721	0.6
185.38918	0.6
202.67940	0.6
356.71906	0.5
369.31558	1.0
383.01511	0.6
397.31110	0.6
401.84036	0.5
415.32208	100.0
416.32480	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.3
61.98833	12.7
64.48022	1.4
64.64112	1.5
69.32275	2.9
69.32683	5.7
71.01392	2.7
85.02970	6.3
87.00883	1.8
93.03510	2.0
113.02447	1.9
127.04043	2.3
137.06154	1.8
147.73436	1.6
181.05072	5.9
181.08626	1.8
191.05626	100.0
192.06020	4.3
255.08760	5.0
353.08841	5.2
416.12894	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80419	6.0
59.01394	41.1
71.01388	39.2
71.31384	10.4
72.99320	9.4
78.58430	6.5
85.02939	11.2
89.02444	12.2
95.01393	10.8
101.02434	30.2
105.56310	6.4
113.02445	21.5
126.99548	15.8
151.00374	8.6
152.01117	10.0
161.04559	8.8
178.99834	7.6
185.34195	7.0
196.51997	6.1
211.05299	19.3
227.03477	28.9
255.03139	39.9
255.19781	18.7
284.03262	28.2
285.04083	27.0
297.40228	6.4
303.82867	7.3
320.75391	6.1
359.15103	19.4
387.14523	100.0
402.16962	47.3
416.23389	11.1
417.08167	20.5
417.19189	68.4
417.24991	94.2
420.02206	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97293	4.5
56.35018	4.6
57.03422	5.9
59.01382	100.0
61.98831	5.5
69.06723	7.9
69.07129	43.5
71.01383	77.7
72.01728	8.6
72.99294	5.8
73.02943	22.8
83.01398	7.0
85.02949	26.2
86.03304	6.9
87.00895	10.9
89.02456	82.5
90.02789	13.1
101.02446	55.4
101.04381	4.9
102.02785	8.7
105.59097	5.4
113.02489	29.3
119.03499	12.0
131.03520	20.9
132.03770	8.5
139.55563	4.6
149.04570	29.0
150.04878	7.9
161.04590	19.9
173.04649	7.6
182.64986	4.8
191.05637	14.5
192.06099	8.9
194.01064	4.8
239.49612	4.8
284.11938	6.6
330.81271	5.3
337.75610	5.4
356.45914	5.1
381.17810	5.7
384.12402	5.4
416.16150	15.5
419.38116	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17709	3.2
57.03469	5.3
59.01389	55.9
60.01726	4.1
66.18562	3.3
67.49494	2.9
71.01392	45.9
71.30725	3.8
71.50111	3.7
72.01727	3.7
72.99309	5.7
72.99836	3.1
73.02958	17.7
80.41859	3.1
83.01399	6.0
85.02975	14.8
86.51550	3.8
89.02459	23.3
96.96022	92.7
98.95601	7.5
101.02455	38.0
102.02808	3.5
111.43571	3.3
113.02465	23.1
119.03548	14.0
119.16220	3.1
143.03450	4.5
161.04579	15.0
161.05948	5.5
170.90916	3.3
179.05637	5.2
225.02060	3.3
226.54675	3.5
231.26166	3.2
243.67294	3.5
254.15002	6.3
255.03012	4.5
355.06876	3.7
416.21994	100.0
417.20428	16.7
417.26050	5.3
442.49158	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20259	11.0
59.01381	67.3
68.98351	10.5
69.11143	100.0
71.01383	47.7
73.02939	16.9
89.02438	19.4
98.21819	23.2
101.02469	26.6
113.02457	27.7
124.39063	11.2
131.03688	13.5
140.20840	10.3
145.02982	19.4
161.04590	13.0
185.76955	12.1
211.07590	12.7
291.02423	16.6
323.29071	11.0
417.16644	28.9
417.21243	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90131	0.8
59.01362	3.0
60.43896	1.2
68.85596	0.9
68.97231	9.5
83.01348	1.0
87.83918	0.9
98.21788	1.6
101.02435	3.0
125.02460	1.1
145.02963	1.8
151.00397	1.9
183.04453	1.2
185.06116	1.1
187.87178	0.9
211.04053	2.2
227.03522	68.8
228.03882	5.5
229.05095	1.2
239.03517	1.4
255.03004	85.4
256.03564	12.8
257.04391	1.6
284.03281	85.0
285.03934	27.5
286.04147	1.6
312.41235	0.9
327.05200	1.4
417.08289	100.0
418.08557	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20279	0.7
60.68602	0.6
69.19767	6.0
69.20117	0.6
110.19537	0.8
125.02434	1.0
137.72029	0.9
151.00363	1.4
153.01814	0.9
163.00352	0.8
183.04578	2.0
211.03944	1.6
213.84190	0.7
227.03525	81.0
228.03841	6.9
229.04976	1.4
255.03001	98.3
256.03561	13.4
257.04495	1.0
284.03284	82.2
285.03955	27.8
286.04382	2.0
405.81055	0.7
417.08304	100.0
418.08679	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23704	1.1
67.23856	1.0
69.06925	5.7
69.07349	3.8
107.01367	1.2
135.00937	1.1
151.00305	1.5
163.00427	1.8
183.04453	2.1
211.04018	2.5
213.05508	1.3
213.77104	1.1
227.03510	74.6
228.03836	9.0
229.05034	4.1
255.02992	100.0
256.03436	13.7
257.04492	2.9
284.03268	81.4
285.04025	74.5
286.04388	4.5
417.08301	83.2
418.08685	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24789	2.3
58.46408	2.5
59.01369	5.2
70.70576	4.6
70.70921	4.1
70.76842	2.4
71.01382	6.2
72.41824	2.3
73.02952	15.2
78.95890	3.7
81.03388	3.2
82.02983	5.4
83.05008	6.4
85.02963	4.3
93.03467	52.0
96.96030	4.0
99.00896	5.4
99.04515	7.0
110.02486	23.7
111.02007	8.9
111.04530	18.4
117.02419	2.6
125.02386	3.4
129.01976	3.5
130.08746	5.8
134.04720	7.1
137.02444	18.6
137.25021	2.5
143.03482	5.6
151.02525	4.3
152.03551	4.5
155.03542	8.3
173.04564	100.0
174.04878	3.0
177.00494	3.9
195.01555	4.4
200.05626	8.4
210.76509	2.7
243.06236	49.0
244.00833	2.5
274.09750	2.7
287.06238	2.6
288.98993	2.9
320.84085	2.6
357.06738	5.9
357.10440	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68239	0.7
53.78593	0.8
55.01851	1.4
57.03428	2.4
59.01382	13.5
63.02369	2.7
65.00330	5.2
68.51481	0.8
68.99800	1.0
69.26219	2.5
69.26636	3.5
71.01386	16.0
72.99285	1.1
73.02948	4.8
81.03462	1.1
83.01389	5.4
85.02956	8.1
89.02456	5.7
93.03428	0.9
95.01334	2.4
97.03007	0.8
98.22582	0.9
99.00845	2.5
101.02439	10.3
107.01389	8.4
111.00853	2.5
113.02464	5.4
117.03474	1.9
119.03474	2.4
123.00831	3.3
123.53709	0.8
124.01673	15.5
125.02486	5.0
134.03749	6.7
135.00977	0.8
139.00333	3.2
141.01904	1.2
151.00383	25.5
152.01161	91.4
153.01471	3.1
161.04526	5.7
169.01338	1.7
178.99867	100.0
180.00435	5.3
197.05963	0.8
211.03821	1.1
211.07587	1.4
225.05551	1.6
227.01335	1.7
227.03502	30.7
228.03781	1.7
229.04941	2.4
237.14825	3.0
241.93001	1.0
255.02992	37.2
255.16017	15.0
256.03522	5.4
256.16275	1.2
257.04318	1.0
259.05939	2.7
269.04553	46.7
270.04868	4.9
284.03305	30.8
285.04028	26.0
286.04791	20.7
287.05316	2.6
350.77600	0.9
409.11758	0.9
417.07388	16.9
417.11719	55.6
417.21005	50.2
418.07401	2.0
418.12888	6.7
418.21149	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.55594	1.4
61.98834	1.4
63.98026	1.2
69.48894	8.2
71.01403	7.1
71.93840	1.5
73.02954	2.3
75.00891	1.7
75.93806	1.3
85.02953	5.7
89.02460	4.6
98.21818	2.6
98.22471	3.0
101.02456	4.9
108.02193	1.6
113.02450	1.8
119.03524	2.8
123.75726	1.3
134.03745	26.7
135.04489	1.5
145.02988	4.0
149.06090	6.4
149.09732	3.9
151.07616	3.6
161.02470	3.8
161.04607	3.0
162.03227	13.0
166.02716	2.7
167.07150	2.1
167.10826	1.8
177.05563	17.5
179.05664	2.6
180.04311	13.0
181.05000	4.3
191.05550	1.7
195.06635	97.6
196.06995	4.0
197.04539	3.7
211.09772	2.7
214.34720	1.4
255.12411	24.2
256.12784	1.7
417.17880	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81580	2.8
58.00594	3.3
59.01384	79.2
64.85245	2.0
69.03451	7.2
71.01387	80.8
71.29249	4.5
72.01743	2.6
72.99318	5.9
73.02946	11.5
73.85535	2.4
75.00887	6.2
81.03463	5.3
83.01392	5.3
85.02972	11.7
86.19278	2.8
87.00884	3.1
89.02456	100.0
90.08212	2.8
95.01385	3.4
97.02972	11.1
99.00895	13.8
99.04562	3.7
101.02451	14.5
106.55980	2.7
108.02182	59.1
109.03005	4.2
111.00871	2.6
113.02483	10.2
115.04022	6.7
121.02985	13.0
122.89445	3.3
123.04527	27.0
125.02474	40.9
131.03510	9.4
135.04543	6.9
143.03505	3.8
148.91022	7.2
149.04578	8.4
153.01869	2.8
161.04620	4.6
166.06450	7.6
166.79422	2.9
181.08722	7.5
191.05615	8.5
195.06686	5.4
202.68336	2.7
219.10313	3.9
233.06650	31.3
250.94290	2.6
266.93655	3.3
268.74051	3.0
290.00092	2.9
293.08817	20.0
417.13083	7.7
417.17688	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44582	2.7
59.01385	100.0
61.98832	7.1
62.74910	2.6
71.01388	21.6
71.31170	4.1
73.02958	5.8
77.68692	2.7
83.01410	3.5
84.51530	2.6
85.02947	10.3
89.02464	10.3
93.03486	3.1
99.00883	4.5
101.02451	10.0
110.93640	3.0
111.00894	3.3
113.02456	7.9
117.26036	2.9
119.03509	3.0
121.02974	19.7
122.03302	3.3
125.02435	5.0
135.04533	8.3
140.47940	2.5
143.05173	2.9
159.04678	3.1
161.04588	13.7
161.07220	4.1
165.01930	27.0
166.06380	4.8
180.04277	42.2
181.04671	3.5
181.08617	3.6
191.05617	6.1
195.06653	68.6
230.30856	3.1
338.13577	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	3.5
58.00603	2.5
59.01383	30.9
69.54742	2.2
71.01389	34.5
71.31941	2.1
71.32386	2.9
73.02940	5.3
83.01382	5.4
85.02969	11.0
89.02438	21.5
93.03497	3.3
95.01380	2.8
99.00921	2.9
101.02451	24.2
109.02961	6.4
113.02472	14.0
119.03493	12.5
121.02958	3.3
125.02424	9.2
131.87753	2.3
137.02451	37.6
138.03169	2.1
149.02432	2.8
150.03224	8.3
151.00322	4.6
151.04030	2.7
161.02431	3.0
161.04561	7.9
163.00433	5.3
165.01901	11.9
175.03995	2.6
176.01108	4.9
178.02609	3.5
179.03537	5.0
191.03421	3.5
193.05055	4.2
201.05659	3.7
211.04034	3.8
213.05589	2.3
225.05501	3.3
227.03508	59.5
228.04019	4.4
229.05023	3.4
239.03511	3.5
241.05090	2.7
243.06396	2.2
255.02991	72.5
255.19548	3.5
256.03659	12.1
267.06757	5.9
268.07425	2.7
279.06607	3.5
280.03812	4.1
281.04672	6.5
283.06091	3.1
284.03281	57.8
285.04007	57.0
286.04587	2.9
287.05527	17.7
288.06290	7.0
295.06210	10.5
296.06891	25.1
297.04266	3.2
297.07620	6.8
298.00983	2.7
299.02100	3.4
310.05331	2.9
310.08429	12.4
311.05737	4.2
311.09329	10.1
312.06369	6.5
313.03571	2.7
313.06931	3.6
323.05588	7.6
325.10797	21.0
326.07858	3.2
326.11450	4.0
338.07910	6.6
340.05841	58.1
341.06561	16.7
343.11823	3.3
353.10593	5.0
355.08224	62.9
356.08731	17.9
369.09674	3.1
370.10571	53.3
371.11365	35.0
385.12976	100.0
386.13434	13.6
387.11063	12.9
402.13400	14.4
417.08221	57.4
417.15512	49.2
417.23828	11.4
417.28778	8.0
418.08554	9.6
418.15863	5.4
418.24796	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47398	1.2
59.01376	4.2
59.73623	1.2
71.01361	1.6
71.32204	2.4
85.02932	2.1
93.00900	1.3
95.05067	1.5
101.02434	1.7
113.02405	1.2
113.16668	1.2
121.02950	2.7
141.35034	1.4
152.01178	1.3
189.55760	1.3
198.03264	3.3
199.04051	2.6
201.05656	1.4
211.00417	2.3
211.04086	1.3
213.01938	4.8
226.02710	3.2
227.03513	26.2
228.00854	1.3
228.03938	2.1
229.04906	1.6
241.01445	3.1
241.05244	2.5
242.02182	4.4
243.03023	1.9
255.03008	32.5
255.05669	1.7
255.16100	2.1
256.03543	6.5
257.04599	6.6
259.06064	2.9
267.06747	7.9
269.00961	1.3
269.04901	1.3
269.08344	2.4
270.01755	5.9
271.02530	19.1
271.05884	3.1
275.05664	4.1
280.03769	3.2
281.07999	1.7
282.98785	1.6
283.06296	2.1
284.03271	24.2
285.04065	35.5
286.04730	8.3
287.01923	1.7
295.06149	18.7
296.06787	5.6
297.04321	1.7
297.07669	5.7
298.01169	1.9
298.08093	1.9
299.05542	1.6
299.09183	1.4
301.07211	16.7
302.04358	2.5
302.07599	1.5
309.07700	3.2
310.04944	2.3
310.08456	16.1
311.05609	5.0
311.09039	4.4
312.06305	1.9
313.03769	9.1
313.06967	1.9
323.05634	10.7
325.07257	1.4
325.10828	16.4
326.07852	4.7
326.11395	2.3
327.08804	4.5
328.09509	1.9
329.06775	2.6
337.07263	1.5
338.07764	8.0
339.08572	1.9
340.05792	6.6
340.09531	1.8
341.06628	10.5
341.10257	2.3
343.11920	2.0
353.10291	6.7
355.08255	10.2
356.08939	16.8
357.09714	2.2
369.09814	2.1
370.10638	7.1
371.11371	37.1
372.11777	4.0
385.12866	8.2
386.13089	1.3
387.10834	7.7
402.13214	27.6
403.13489	2.5
417.08411	19.2
417.15582	100.0
417.28119	3.9
418.08511	1.6
418.10455	1.7
418.15933	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.4
58.00597	3.8
59.01383	100.0
69.33511	6.3
69.33917	2.2
71.01389	65.0
72.99313	3.6
73.02941	3.6
83.01399	4.6
85.02962	12.0
87.00881	3.2
89.02453	74.1
95.01400	4.4
99.00880	2.4
101.02451	37.7
113.01653	1.2
113.02454	26.2
119.03510	33.6
121.02982	1.5
125.02477	1.3
131.03540	4.7
135.13306	1.0
143.03549	4.0
149.04616	3.2
159.02962	1.4
161.04594	6.6
164.04817	2.5
166.06369	2.2
179.05606	5.2
179.07025	1.7
181.08737	1.4
191.05663	1.7
194.09509	2.2
197.98642	1.2
222.09010	2.5
237.11356	10.7
397.21130	1.2
415.76675	1.2
417.17612	8.8
417.25287	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03444	0.7
58.00600	0.5
58.38065	0.2
59.01383	4.4
71.01386	11.5
72.99301	0.2
73.02949	4.0
83.01405	1.2
85.02952	4.2
87.00899	0.4
89.02448	2.3
93.03476	0.4
95.01405	0.8
97.02948	0.5
99.00890	1.4
101.02445	6.2
103.04028	0.6
103.44662	0.2
108.49672	0.2
109.02967	0.5
111.33590	0.2
113.02460	4.6
115.04037	0.5
119.03494	1.2
121.02963	25.1
122.03314	0.7
125.02464	0.9
129.01926	0.2
133.05081	4.1
135.04549	2.2
143.03540	0.5
157.05106	0.8
159.03000	1.0
161.04562	7.0
162.04866	0.4
164.04788	0.6
166.06363	100.0
167.06691	5.2
179.07169	0.4
181.08714	84.8
182.07535	0.4
182.09052	4.3
203.32520	0.2
229.13536	0.3
235.08235	3.1
274.93872	0.2
343.13953	0.8
345.16797	0.2
417.10599	0.3
417.17340	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02415	0.2
55.01887	0.7
57.03451	0.7
58.00614	0.4
59.01384	5.7
68.99266	1.0
68.99680	0.9
71.01386	12.0
72.01724	0.3
72.99293	0.3
73.02953	4.5
83.01403	1.2
83.44424	0.2
85.02959	4.4
86.12863	0.2
87.00873	0.5
87.88239	0.2
89.02460	2.0
93.03447	0.6
95.01401	0.8
97.02967	0.4
99.00887	1.4
101.02451	5.8
103.04061	0.6
109.02974	0.4
113.02455	4.2
115.04048	0.7
119.03480	1.4
121.02970	24.0
122.03305	1.0
125.02475	0.5
133.05096	3.4
135.04532	2.0
143.03548	0.2
157.05084	0.5
159.03017	1.2
161.03256	0.4
161.04573	6.0
162.04941	0.3
166.06366	100.0
167.06706	5.0
181.08717	76.5
182.09048	4.9
235.08241	2.8
244.35126	0.2
417.17761	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77102	1.0
57.03456	2.1
58.00595	1.4
59.01386	100.0
60.01721	1.5
61.98843	5.6
64.09292	0.9
66.74007	1.1
69.61213	5.4
71.01388	23.0
72.99340	1.7
73.02958	3.9
75.60842	0.9
79.93172	1.2
83.01405	1.5
85.02977	8.6
87.00891	2.1
88.48736	0.9
89.02447	17.9
93.03434	1.3
95.01357	1.2
99.00906	2.2
101.02457	16.3
109.03012	1.0
113.02455	12.3
119.03528	9.8
125.02448	1.5
131.34915	1.0
135.04527	2.5
137.85629	1.0
143.03519	2.4
149.04530	1.3
155.10799	1.7
159.03056	2.0
161.04584	16.3
167.03514	1.1
173.04521	1.3
177.09233	5.5
179.03433	2.0
179.05624	4.3
191.05632	4.4
237.05408	2.4
253.08440	1.6
256.12131	1.2
346.72470	1.1
357.15585	18.4
358.15750	2.3
379.20929	1.1
417.11826	3.2
417.16965	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01709	1.2
71.01387	5.8
71.45707	0.6
72.99322	0.6
73.02975	1.4
85.02943	2.6
89.02467	1.4
95.01394	1.3
98.22546	1.3
101.02457	2.8
108.02200	5.3
109.03050	3.4
110.03277	2.1
113.02438	2.1
121.02969	2.1
148.05353	0.6
152.01158	3.7
153.01788	2.2
154.01675	1.9
155.02490	1.0
159.02992	1.2
161.04553	5.0
165.01926	0.6
180.07933	13.2
181.08548	1.4
181.33244	0.6
195.10297	15.3
200.41275	0.6
228.48624	0.6
289.71738	0.7
333.68735	0.7
417.13092	8.7
418.13562	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1921
Annotation	Gomisin H
Peak:m/z	Relative Intensity
65.20294	1.7
65.37370	1.9
68.62043	1.8
76.00287	1.8
78.75996	1.8
93.28984	1.8
98.21705	2.9
117.92825	2.1
135.34752	1.8
136.08818	1.8
241.01439	2.0
242.02470	2.3
253.08667	9.6
256.03781	2.8
268.11053	7.1
269.04565	5.5
269.08179	6.0
270.09033	2.4
281.08121	18.6
282.05328	3.7
282.08340	2.2
284.06879	2.9
284.10464	3.8
295.09726	8.1
296.07474	2.5
296.10498	11.9
297.07709	25.9
298.08035	2.2
299.09277	8.0
311.09558	4.0
311.12952	5.3
312.09952	15.9
313.10492	2.5
325.07175	7.4
326.08197	9.3
326.11429	3.2
327.12381	12.2
340.09369	4.1
341.10437	12.2
342.10797	2.7
355.11920	20.8
356.12448	11.8
371.15076	7.2
387.14545	38.6
388.15137	5.4
402.16833	58.5
403.17249	6.4
417.19229	100.0
418.19556	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2077
Annotation	Isovouacapenol D
Peak:m/z	Relative Intensity
64.97102	4.2
69.25580	41.9
86.97262	4.3
102.57960	5.6
109.99815	5.9
110.39722	5.7
114.29926	4.7
120.42809	5.7
169.10265	9.4
170.09058	5.2
173.06097	11.9
188.00282	5.7
227.03429	7.7
255.02945	14.0
263.18100	10.1
284.03299	12.3
285.04099	8.1
304.96609	7.6
329.22784	33.4
373.21692	96.5
374.22083	16.8
376.92880	5.2
400.20526	5.4
417.08286	7.6
417.15454	8.4
417.20715	100.0
418.21097	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2133
Annotation	Maryal
Peak:m/z	Relative Intensity
55.01868	1.9
56.40232	0.4
57.03452	2.2
59.01101	0.9
59.01382	14.8
66.78035	0.5
67.01872	0.6
71.01385	27.5
71.31927	0.6
72.01750	0.5
72.99313	1.0
73.02572	0.8
73.02946	7.7
75.00852	0.9
76.48263	0.5
83.01392	3.6
83.05030	0.5
85.02957	13.9
85.06585	1.1
86.00086	1.4
87.00884	5.9
89.02453	6.2
95.01383	2.9
97.02950	1.1
99.00879	3.2
99.04496	0.4
101.02444	18.7
102.02781	0.5
105.63599	0.4
111.00896	1.3
111.04539	0.6
113.02451	10.7
113.06075	0.5
114.06879	1.3
114.76664	0.4
115.69335	0.4
119.03522	2.2
123.08157	0.5
125.02472	0.9
125.09742	1.3
126.03243	4.0
129.01944	0.7
129.09247	0.9
141.09204	2.7
143.03482	0.5
143.10788	2.2
159.03001	1.3
161.04578	5.1
193.15935	3.3
211.17105	1.1
215.12823	0.8
227.03519	3.4
237.14972	0.9
255.03012	5.1
255.16040	3.4
256.16391	0.6
263.20108	1.1
274.16800	0.6
283.19202	0.6
284.03268	3.2
285.03995	2.8
305.16086	0.6
335.22369	0.6
373.23047	0.5
399.20419	0.6
417.08514	3.3
417.21295	100.0
418.21652	11.3
443.38422	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.0
57.03427	2.8
58.00576	1.5
59.01385	24.2
63.02376	2.8
65.00320	5.1
69.15733	2.1
69.16147	5.1
71.01389	31.9
72.99296	1.8
73.02946	9.0
83.01398	7.5
85.02486	1.0
85.02956	15.9
87.00874	2.0
89.02449	12.1
93.03426	1.4
95.01393	4.0
99.00864	2.9
101.02455	19.4
105.05169	0.9
105.66460	0.7
105.95287	0.8
107.01383	5.1
111.00852	3.1
113.02461	13.7
117.03454	1.8
119.03513	4.4
123.00890	2.7
124.01666	10.1
125.02464	4.4
132.54851	0.9
134.03754	4.7
137.02440	0.9
139.00342	3.3
143.03436	2.4
151.00375	19.6
152.01167	68.4
153.01468	2.8
159.02951	2.5
159.04456	0.8
161.04572	11.7
178.99878	75.5
179.33932	0.9
180.00328	3.5
183.04546	2.2
211.04005	1.1
211.07724	1.6
225.05566	1.7
227.03522	41.7
228.03773	3.1
229.04993	3.1
237.15007	5.5
241.04877	1.5
255.03011	52.5
255.16022	29.1
256.03607	8.7
256.16376	3.0
257.04248	1.3
259.06158	1.1
269.04559	27.4
270.04758	3.0
284.03284	40.9
285.04053	34.3
286.04739	15.0
327.20279	0.8
388.98044	0.9
417.08023	26.3
417.11938	27.1
417.21136	100.0
418.08154	3.3
418.12241	4.4
418.21500	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.0
57.03427	2.8
58.00576	1.5
59.01385	24.2
63.02376	2.8
65.00320	5.1
69.15733	2.1
69.16147	5.1
71.01389	31.9
72.99296	1.8
73.02946	9.0
83.01398	7.5
85.02486	1.0
85.02956	15.9
87.00874	2.0
89.02449	12.1
93.03426	1.4
95.01393	4.0
99.00864	2.9
101.02455	19.4
105.05169	0.9
105.66460	0.7
105.95287	0.8
107.01383	5.1
111.00852	3.1
113.02461	13.7
117.03454	1.8
119.03513	4.4
123.00890	2.7
124.01666	10.1
125.02464	4.4
132.54851	0.9
134.03754	4.7
137.02440	0.9
139.00342	3.3
143.03436	2.4
151.00375	19.6
152.01167	68.4
153.01468	2.8
159.02951	2.5
159.04456	0.8
161.04572	11.7
178.99878	75.5
179.33932	0.9
180.00328	3.5
183.04546	2.2
211.04005	1.1
211.07724	1.6
225.05566	1.7
227.03522	41.7
228.03773	3.1
229.04993	3.1
237.15007	5.5
241.04877	1.5
255.03011	52.5
255.16022	29.1
256.03607	8.7
256.16376	3.0
257.04248	1.3
259.06158	1.1
269.04559	27.4
270.04758	3.0
284.03284	40.9
285.04053	34.3
286.04739	15.0
327.20279	0.8
388.98044	0.9
417.08023	26.3
417.11938	27.1
417.21136	100.0
418.08154	3.3
418.12241	4.4
418.21500	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88527	1.3
55.01869	3.0
57.03434	3.3
58.00603	4.5
59.01384	100.0
69.03429	1.3
69.12500	5.0
69.12933	5.4
71.01388	93.5
72.01746	1.4
72.99303	5.9
73.02958	12.9
75.00901	1.3
83.01405	6.7
85.02957	28.0
85.57078	1.1
87.00879	5.6
87.04503	2.0
89.02453	80.5
90.02787	1.9
95.01393	7.2
96.89813	1.2
98.21797	2.8
99.00887	3.3
101.02451	63.5
113.02458	41.1
119.03513	36.4
120.01898	1.1
125.02516	1.5
129.02084	1.3
131.03503	4.6
143.03534	7.4
149.04565	2.5
159.03011	3.1
161.04572	22.8
162.04918	1.6
176.59785	1.4
179.05609	14.5
227.03442	1.3
253.14436	2.0
254.14687	1.8
255.03070	2.8
255.15265	3.2
255.19647	11.2
284.03296	2.2
285.04160	1.5
340.05930	1.5
341.07263	1.5
370.10428	1.4
385.12634	1.4
417.08197	1.8
417.15860	3.0
417.24994	60.5
418.25467	7.2
438.14386	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83842	0.8
55.01873	6.0
57.03452	5.5
58.00597	3.1
59.01384	59.2
66.56799	0.6
68.23296	0.6
69.03432	0.9
71.01387	100.0
71.29764	1.1
72.01743	1.7
72.99295	4.5
73.02948	23.8
73.44417	0.7
75.00864	1.2
78.24388	0.6
83.01391	10.1
84.02164	1.0
85.02956	44.7
87.00899	4.3
87.04531	2.9
87.23927	0.8
89.01888	1.9
89.02450	39.7
92.52276	0.7
95.01405	7.2
97.02990	2.8
99.00884	12.0
101.02450	68.8
102.02785	1.2
102.92498	0.7
113.02460	43.5
119.03510	18.2
120.03853	0.8
125.02470	3.0
129.01918	1.4
129.07605	0.8
131.03503	1.8
143.03532	4.9
149.04575	1.3
159.02995	11.3
161.04576	45.1
162.04906	1.8
179.05647	4.6
185.15979	0.7
205.03574	1.6
227.03630	1.4
255.03059	1.5
255.19740	3.4
270.85150	0.8
285.04037	0.9
337.49579	0.7
358.29037	0.9
417.08337	1.2
417.25079	38.9
418.25464	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	8.1
57.03454	4.5
58.00594	3.0
59.01382	79.5
60.01716	0.9
60.05046	0.6
65.72074	0.6
69.03442	1.0
69.16279	4.6
69.16676	1.6
71.01385	100.0
71.80853	0.6
72.01734	1.4
72.99313	3.8
73.02950	23.6
74.43613	0.7
75.00873	1.0
83.01386	9.4
84.02158	1.0
85.02954	40.3
86.03322	0.9
87.00866	4.6
89.02448	42.6
95.01396	8.1
97.02967	1.7
99.00893	9.1
101.02448	77.0
102.02824	1.2
102.50819	0.7
108.21827	0.6
112.51882	0.7
113.02456	41.3
113.44360	0.7
114.02791	1.1
119.03510	19.3
125.02462	2.4
129.01918	1.3
131.03500	2.3
143.03497	8.3
149.04515	1.1
159.03017	8.2
161.04562	63.1
162.04938	1.2
179.05638	8.7
209.15396	0.9
227.03426	2.3
239.16379	0.9
255.03027	3.1
255.19623	2.8
284.03305	2.2
285.03949	1.9
299.06128	0.7
299.18555	1.2
315.21768	1.1
328.93100	0.8
401.02673	0.8
404.41400	0.8
417.24966	73.0
418.25360	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16520	2.1
53.98363	1.9
59.01381	15.9
64.59917	2.3
69.83958	9.1
71.01392	3.3
80.28961	2.1
82.27914	1.9
85.02906	2.2
87.00868	2.3
98.21941	3.7
102.79420	2.0
113.10754	2.1
121.02972	4.0
122.61551	2.1
128.11499	1.9
133.02472	1.9
137.92564	2.0
149.02437	24.2
150.03229	32.5
161.04584	3.5
164.04803	23.4
165.05582	100.0
166.05952	5.0
179.07118	7.2
180.04254	4.9
195.06616	23.1
197.08281	2.4
246.90005	2.3
327.10873	19.8
401.05411	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	36.0
61.04174	4.9
68.80267	6.2
71.01042	5.2
71.01375	29.9
83.62234	5.4
85.02950	10.3
89.02457	6.0
98.21735	12.4
101.02455	13.3
113.02445	8.6
114.02877	5.9
115.32856	5.0
138.82216	4.8
164.22432	5.5
166.02684	5.2
181.05142	9.9
182.05402	5.6
256.16339	19.7
273.04309	6.0
403.13428	7.5
418.16339	10.4
418.21521	100.0
419.22141	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24940	23.9
50.82512	21.5
71.29697	27.4
82.60043	24.0
104.27052	25.1
136.01802	31.9
137.02469	32.2
141.01625	27.1
142.40337	22.4
149.02444	24.3
149.77426	23.2
151.00429	28.8
162.03255	28.9
164.82983	24.9
166.02742	87.5
167.03380	24.3
174.71523	26.8
177.01958	94.4
178.58304	24.1
181.05067	100.0
182.05426	87.9
192.04263	45.8
193.05093	25.4
195.06665	54.3
225.07710	83.1
252.67690	26.2
308.81317	28.1
388.10837	30.8
389.12558	24.5
403.13596	29.3
418.21481	70.8
419.16400	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0987
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
58.16341	0.3
59.01369	0.7
63.76334	0.3
69.33921	1.4
71.01382	0.5
75.81535	0.3
81.03463	0.6
85.02950	0.7
91.31361	0.3
93.03478	0.4
95.01398	0.5
101.02495	0.3
108.02184	100.0
109.03002	14.5
110.03278	0.7
121.02966	4.8
121.77400	0.4
123.00938	0.5
123.04543	0.9
125.02457	0.4
133.02937	0.7
135.04480	0.4
137.02464	0.6
141.78841	0.3
151.04021	2.7
152.01163	51.8
153.01959	17.5
154.02283	1.1
154.48518	0.3
155.51326	0.4
159.71350	0.3
163.04039	2.0
165.01970	0.9
175.04047	0.6
180.04382	0.4
181.05064	0.5
190.06442	0.4
191.07138	0.7
193.01427	0.4
193.05154	0.7
195.03003	0.4
199.43987	0.4
205.08597	0.5
225.03954	0.6
241.37317	0.3
277.83023	0.4
297.06091	0.5
387.74893	0.3
389.16025	1.9
390.16940	0.3
399.43674	0.4
419.09833	45.8
419.21957	1.1
420.10260	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
69.17101	46.6
71.01388	45.6
74.02456	5.4
81.57717	4.6
85.02984	6.0
89.02457	54.5
95.01414	5.4
98.21764	8.6
101.02454	21.5
105.63311	4.8
113.02460	14.2
119.03513	29.9
146.03729	24.5
161.04501	8.6
164.04814	9.9
179.05658	10.0
179.07114	39.7
267.28622	5.3
359.07346	7.7
419.07953	8.7
425.67255	6.2
444.28552	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.17862	1.0
63.32769	1.0
71.01373	1.2
71.29995	1.3
85.02967	1.3
87.78283	1.0
89.02426	1.6
119.05080	2.2
121.02961	18.7
125.01003	1.6
125.03519	1.5
126.92990	1.0
126.98858	1.3
127.02472	1.2
141.05455	1.0
141.38498	1.2
163.04031	1.3
164.04803	57.0
165.05215	3.2
168.99933	2.2
179.07144	49.3
180.07423	1.9
195.01456	6.3
197.08205	29.2
198.08514	1.2
203.01978	3.1
211.01059	1.9
255.03633	2.6
273.04678	20.4
274.04898	1.8
315.03699	1.4
359.07266	1.4
377.07190	2.5
384.64435	1.4
419.08011	4.4
419.16272	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1561
Annotation	Lamioside
Peak:m/z	Relative Intensity
50.62056	1.0
57.03439	2.2
59.01382	100.0
61.98835	4.9
66.58347	1.0
71.01388	8.2
71.05029	1.1
73.02953	3.1
78.91924	1.9
83.01431	1.1
83.05032	2.0
85.02958	6.9
87.00905	1.1
87.04488	1.1
89.02450	7.4
93.03494	1.2
97.02987	1.1
97.06588	3.1
98.21730	2.9
101.02455	4.5
109.02972	1.6
109.06593	2.0
113.02470	5.5
115.04034	3.7
119.03513	2.5
119.05112	1.2
121.06589	2.2
123.04537	1.8
125.06107	1.3
126.98812	1.3
132.92038	1.1
135.08223	1.1
137.02551	1.5
137.06175	1.3
141.05533	1.8
149.02368	1.9
149.04581	1.4
151.02657	1.1
151.11281	2.1
161.04608	2.7
164.04813	3.5
167.03479	2.0
168.99936	1.2
177.02034	1.2
179.05632	1.1
179.07127	3.7
182.05864	3.2
183.06563	1.3
189.05557	1.3
195.10321	3.5
197.08212	12.1
204.74750	1.1
213.11377	3.2
216.96329	1.2
230.09773	1.2
239.09271	3.5
257.10345	18.3
258.10794	2.0
273.04764	7.1
299.11426	1.8
342.36417	1.1
419.08694	3.8
419.14835	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
67.88113	1.0
100.71068	0.9
102.68204	1.0
151.00473	1.4
168.93286	0.9
171.58070	1.0
174.03253	1.0
199.03899	1.1
201.02022	1.6
208.07527	2.3
213.01970	1.8
213.05537	4.1
223.09668	1.5
227.03496	1.1
228.00740	2.2
229.01398	2.8
230.02156	2.1
239.16643	2.0
241.01427	2.1
241.05037	2.3
242.02267	1.9
243.03014	3.7
245.00975	1.4
246.01599	1.0
256.00159	3.7
257.00864	9.3
257.17651	2.7
258.01678	8.4
258.04852	1.7
259.02460	5.2
261.04129	1.3
271.02618	7.5
272.00043	2.0
272.03265	9.2
273.00500	7.2
273.04041	7.3
273.07620	6.0
274.01215	10.5
274.04166	1.8
285.00357	1.4
286.01404	1.9
286.04749	4.1
287.02023	3.5
287.05630	7.1
288.02756	13.1
289.03564	12.8
290.04028	1.9
297.07471	1.1
300.02713	3.3
301.03412	4.0
301.07190	2.6
302.04205	2.7
303.05130	11.4
304.05890	9.4
305.06577	11.9
314.07901	3.1
315.05194	5.4
315.08261	1.2
317.02930	2.9
317.06439	1.6
319.08200	11.5
320.08582	1.3
325.07028	1.4
327.08835	1.3
327.12384	2.7
329.10306	2.1
332.05396	4.7
333.05896	1.3
341.10284	1.6
342.07391	7.0
343.08154	5.8
345.09839	3.6
347.07736	17.4
357.09781	10.2
358.10461	3.5
372.12152	6.9
373.12994	8.1
375.14484	1.2
387.14545	13.8
388.14673	1.5
389.12399	15.3
390.12732	1.4
404.14786	34.0
405.14963	3.1
419.17139	100.0
420.17484	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13760	0.4
53.61705	0.4
59.01383	100.0
59.52830	0.4
60.01719	1.2
70.83257	0.8
70.83584	0.7
71.01383	2.4
85.02985	0.6
88.98829	2.0
89.02455	0.8
101.02453	0.6
109.03008	0.7
113.02467	0.7
123.04589	0.8
123.05437	0.5
130.30405	0.4
131.03571	1.0
137.96962	0.4
151.04025	0.6
153.09180	0.5
155.10854	0.8
175.02551	1.0
193.56802	0.4
205.05231	0.6
227.16611	3.0
241.07408	1.0
263.02200	0.5
288.25146	0.5
359.20789	0.8
360.69919	0.4
401.12769	1.3
401.20660	0.6
419.15018	0.7
419.23523	0.8
433.44296	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.317
Annotation	Irisoquin C
Peak:m/z	Relative Intensity
69.10777	24.5
69.11194	65.7
77.14851	8.6
77.30608	8.3
91.63159	9.1
129.05334	9.9
136.05273	13.7
151.07578	11.1
152.42166	9.3
180.98503	9.8
193.26730	8.8
249.90599	10.1
307.30075	11.8
326.88641	9.8
333.31708	15.9
335.29727	10.5
347.33109	9.2
357.31580	41.0
375.32706	34.5
419.31635	100.0
420.32098	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2758
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
53.10468	0.5
59.01380	0.8
61.98830	0.5
71.28764	0.7
71.29131	0.5
91.31608	0.5
93.03461	0.5
121.02963	100.0
122.03325	3.2
127.87045	7.0
159.86021	15.2
160.86168	0.6
199.89131	1.9
220.14708	1.2
221.15259	0.6
262.43332	0.6
420.03650	1.3
420.27570	44.7
421.27875	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52608	0.5
54.47458	0.5
59.01369	1.4
71.01392	0.8
71.28772	0.5
71.29124	0.5
75.96126	0.5
78.91912	0.4
78.95890	0.8
81.03447	0.6
83.05048	0.7
85.02957	9.7
87.00888	1.3
93.03471	4.6
99.04544	0.5
109.02944	0.8
111.04546	1.3
127.04025	1.9
137.02425	0.8
142.45442	0.4
148.51945	0.5
171.02997	0.7
173.04549	2.8
191.05623	100.0
192.05978	4.0
216.05609	0.8
245.44525	0.4
246.97742	0.8
312.73267	0.5
421.07565	7.5
422.09760	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	7.0
59.01385	6.2
71.01398	6.6
71.04943	3.1
85.02921	2.5
89.02477	2.0
97.02926	1.8
97.71807	1.6
101.02456	4.3
108.14539	1.6
109.02936	1.9
111.95697	1.4
113.02462	20.9
117.03477	26.2
119.05039	13.5
120.11408	1.5
121.02950	1.6
125.02458	10.5
135.04501	2.1
137.02455	14.0
145.02966	100.0
146.03381	4.7
151.04030	1.8
163.04036	12.8
164.01172	5.0
165.01941	11.9
167.03516	7.7
173.06017	3.8
175.07704	5.8
177.01971	2.8
179.03522	2.0
179.10835	6.7
187.04051	2.3
189.09238	1.8
203.07201	3.3
217.08696	5.6
229.08725	4.2
229.89937	1.7
307.08237	36.8
307.11716	3.0
323.13113	3.8
367.11923	12.1
385.12845	9.2
421.11411	22.3
421.28198	3.2
422.11282	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1142
Annotation	(-)-Epicatechin 5-O-beta-D-xylopyranoside
Peak:m/z	Relative Intensity
57.03440	2.5
59.01386	4.1
69.03449	0.6
69.09518	4.9
71.01356	0.7
81.03444	1.8
83.01389	2.9
93.03477	0.8
95.01389	0.6
95.05044	1.8
95.44064	0.6
97.02943	4.5
98.22557	1.3
99.92582	0.7
107.05082	0.8
108.02150	0.7
109.02255	1.0
109.02960	15.9
109.67244	0.7
110.03282	0.7
113.02429	0.8
121.02969	2.8
122.03706	0.8
123.04539	12.1
125.02457	14.0
135.04517	1.8
137.02458	16.9
138.03221	0.9
139.03999	2.8
145.03017	1.3
149.02449	3.9
150.03197	0.9
150.59996	0.6
151.04027	7.4
159.04472	2.6
160.05309	1.0
161.02438	1.6
161.06061	4.3
162.03313	1.2
163.04045	1.5
164.01131	2.8
165.01950	5.3
167.03535	1.5
175.04022	1.9
175.07634	1.0
179.03520	6.2
182.34113	0.6
185.06044	0.8
187.04010	3.9
188.04747	2.7
189.01773	0.8
189.28413	0.6
193.36452	0.7
199.09822	1.9
202.06346	1.9
203.07158	9.9
205.05029	5.6
212.04800	0.6
221.08182	2.1
236.97783	0.7
245.08200	15.2
246.08476	0.8
259.02438	1.2
289.07199	100.0
290.07559	9.2
375.06897	0.7
375.51953	0.7
421.11160	2.6
421.20840	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77945	0.5
55.01876	0.6
57.03458	6.4
59.01389	3.7
61.98817	0.8
65.05000	0.5
69.17585	3.7
71.01380	4.9
73.02931	1.9
83.01385	0.7
84.30869	0.5
85.02998	3.2
85.03411	0.6
89.02505	0.9
99.00877	1.0
101.02434	2.9
104.36475	0.5
113.02463	10.9
117.03476	29.7
118.03828	1.3
119.05029	12.2
144.48511	0.6
145.02965	100.0
146.03320	4.6
155.03502	0.7
159.04524	0.7
161.04587	1.4
161.06058	1.0
163.04033	12.2
179.03503	0.9
187.04012	1.1
205.05035	0.7
247.06050	1.0
259.19254	0.9
286.51929	0.5
289.16656	1.5
307.08258	33.1
308.08676	2.9
332.31851	0.6
421.11420	16.9
421.24475	2.0
422.11786	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.3
59.01387	0.9
61.41889	0.3
69.03456	0.3
69.17834	2.7
71.01388	3.5
73.02962	1.1
76.35913	0.3
81.24069	0.3
82.01784	0.2
83.01395	0.6
83.93768	0.3
85.02956	2.2
93.03452	0.7
94.54277	0.3
99.00904	0.3
101.02474	1.4
113.02462	14.2
114.02718	0.3
117.03475	27.6
118.03828	1.1
119.05038	12.4
120.05368	0.5
121.02904	0.3
125.02474	0.6
137.02443	0.5
145.02965	100.0
146.03304	4.4
159.04549	0.4
161.04608	0.8
161.06078	0.5
163.04021	13.5
164.04364	0.8
165.01927	0.6
173.06146	0.5
175.04091	0.4
175.07674	0.5
179.58350	0.3
182.60822	0.3
187.04030	0.9
205.05069	0.5
217.08641	0.3
247.06233	0.7
253.90349	0.3
281.11765	0.4
294.09418	0.3
307.08258	32.9
308.08588	3.2
347.24518	0.3
349.10660	0.3
367.12036	0.4
385.12857	0.4
421.11420	17.6
422.11853	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.3
59.01381	7.7
69.03706	7.8
71.01384	3.1
73.02949	1.2
81.03456	1.9
83.01354	1.0
83.92681	0.7
85.02959	2.3
87.00900	0.8
93.03430	0.9
95.01396	4.1
95.05016	0.9
97.02921	0.9
97.61916	0.9
99.04523	3.6
101.02453	3.8
105.03401	0.9
107.01386	2.8
109.02999	1.0
111.00923	1.3
113.02464	1.1
121.03017	1.6
123.00874	2.5
123.04528	1.1
124.01659	1.0
125.02473	7.0
134.03796	1.0
137.02461	4.4
141.01997	0.9
145.03055	1.0
149.02475	1.8
149.99600	65.8
151.00417	10.9
161.04527	0.8
165.01976	1.2
169.01492	1.2
171.54085	0.7
173.04561	0.8
178.02768	1.8
193.01433	1.9
212.55132	0.9
219.61493	0.7
247.09888	1.2
256.45947	0.8
259.09781	1.1
277.16730	0.9
308.66992	0.7
313.05661	100.0
314.05994	5.1
420.30484	1.0
421.10553	1.2
421.18756	1.8
421.24597	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	35.4
61.98832	6.5
70.70627	13.5
71.01385	11.5
73.02962	7.6
75.89557	4.6
85.02981	6.7
89.02455	9.8
98.28064	5.2
101.02447	9.6
113.02468	13.3
117.03450	8.7
119.03503	5.3
123.04550	10.2
135.11821	18.5
145.02966	20.8
149.02477	10.6
150.03241	41.8
151.04025	14.6
161.04604	4.8
164.04842	5.3
165.05585	47.8
179.09335	8.9
179.10797	100.0
180.11086	4.5
195.06641	13.6
199.13385	22.0
217.08836	5.3
221.11827	5.4
223.09781	61.0
224.10075	5.3
225.07622	21.9
241.05266	6.2
258.03519	5.0
265.10773	7.6
269.04562	14.9
270.05402	8.3
289.16660	5.3
307.08185	8.7
373.12888	29.9
385.15219	6.3
421.09338	42.2
422.10217	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	26.3
66.87857	7.6
69.12505	78.4
71.01382	23.2
72.99267	8.3
85.02926	15.1
101.02453	14.3
113.02440	8.7
124.32183	9.1
179.10789	53.7
197.02194	17.1
223.09772	100.0
224.09958	12.1
231.15152	9.4
257.05673	15.4
289.16766	24.3
313.08267	24.1
317.90826	8.8
389.10519	10.4
421.12598	18.8
421.28500	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73909	8.6
59.01375	24.7
68.80531	8.3
69.26430	21.8
69.26838	36.1
69.94444	8.4
71.01375	11.6
71.05035	10.4
72.17049	7.4
83.31500	7.5
96.37727	7.8
152.22844	9.7
215.12964	12.7
351.11169	9.2
421.16208	100.0
421.20230	7.9
430.21201	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10396	2.7
57.03446	7.2
59.01384	56.9
69.56846	12.5
69.57274	7.9
70.02988	7.7
71.01385	17.7
71.05023	17.0
73.02940	3.0
85.02979	8.3
87.00870	2.9
87.05661	3.9
89.02456	11.7
99.04510	7.1
101.02466	12.2
113.02455	8.0
116.07159	2.9
119.03533	5.2
130.03305	8.1
137.06126	2.7
137.09750	8.4
146.08249	95.4
146.09415	6.0
147.05991	6.6
155.10799	34.0
164.04909	3.1
171.10307	7.7
197.11856	12.7
199.09804	36.4
205.05128	3.9
217.10796	20.7
217.12207	9.2
223.06119	6.0
241.10739	4.2
259.11853	35.7
277.12289	100.0
278.12543	6.8
340.18756	2.9
421.16370	14.7
421.21561	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1636
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
59.01374	52.6
61.98821	13.1
69.10255	100.0
71.01408	21.0
88.01113	9.0
98.21796	16.5
101.02451	10.8
120.99702	14.9
179.10849	17.6
223.09785	18.5
269.03799	9.8
301.05838	9.5
306.10345	10.3
421.16061	47.3
421.28159	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	52.6
61.98821	13.1
69.10255	100.0
71.01408	21.0
88.01113	9.0
98.21796	16.5
101.02451	10.8
120.99702	14.9
179.10849	17.6
223.09785	18.5
269.03799	9.8
301.05838	9.5
306.10345	10.3
421.16061	47.3
421.28159	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98834	3.6
65.74845	2.3
71.01385	5.8
73.02953	28.1
89.02456	4.2
101.02460	4.1
109.02937	6.4
113.02444	5.4
119.03489	3.9
121.02985	5.1
124.01680	4.6
125.02469	14.4
125.06087	14.2
137.02454	17.0
139.07635	3.3
147.04472	2.6
149.02440	3.8
150.03177	6.8
151.03960	2.3
155.10800	3.8
161.04529	3.5
165.26697	2.2
170.08145	2.3
173.06090	5.9
175.04036	21.0
176.04419	2.4
189.05548	8.2
191.07132	3.3
199.09760	67.6
200.10207	2.9
215.07159	3.8
217.05014	2.4
241.10771	6.2
242.06146	2.1
258.05179	2.6
259.06125	66.0
260.06396	5.1
264.54416	2.3
283.06122	3.2
309.00858	2.3
314.19708	2.5
342.03339	2.0
352.13699	2.3
421.11353	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25641	1.0
57.03441	3.2
58.00589	1.5
59.01384	56.6
69.03437	2.3
71.01389	32.4
71.05028	14.2
72.99321	2.6
73.02948	9.9
80.02677	1.3
80.16035	1.0
81.03429	1.4
83.01374	1.9
83.05040	1.6
85.02936	8.8
85.06570	1.2
87.00892	1.6
89.02449	30.4
95.01367	1.3
95.05052	0.9
97.02961	2.9
97.06594	4.3
98.03745	16.4
98.22597	2.7
99.00813	1.0
99.04526	2.9
99.08160	3.0
101.02450	21.4
107.05024	1.6
113.02462	12.4
119.03503	12.5
123.08173	17.7
125.06074	4.6
125.09703	2.7
138.05611	1.0
141.09225	50.2
142.09523	1.9
143.10788	45.4
144.11130	1.4
149.04576	1.2
149.06049	2.0
161.04549	3.3
161.09737	1.4
164.08443	1.2
165.09256	1.8
167.10791	6.2
179.05606	2.4
179.10773	28.3
180.11198	2.4
185.11819	4.2
197.11847	1.9
199.09778	1.0
223.13446	4.1
241.14484	20.0
259.15512	19.6
260.15784	1.4
395.42487	1.2
406.85144	1.1
421.20822	100.0
422.21298	11.0
447.12512	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67432	2.1
57.03444	5.1
59.01382	100.0
62.66538	2.0
64.75204	2.1
69.59500	5.6
69.59906	7.1
71.01036	3.5
71.01393	39.1
71.04671	2.4
71.05022	15.5
73.02953	13.0
75.02922	2.4
83.01373	2.6
84.05244	2.1
85.02959	8.8
87.00850	3.6
89.02455	35.2
95.01393	3.1
95.05073	4.1
97.02951	4.2
97.06606	25.8
98.03739	12.3
99.04545	8.1
99.19662	2.2
101.02445	21.8
111.04527	2.6
113.02445	15.7
119.03519	18.0
120.32106	2.9
123.08157	12.8
125.06086	5.8
125.09695	2.8
137.09723	9.7
141.05571	16.1
141.09232	36.2
143.03523	4.1
143.10774	31.3
149.09731	5.0
155.10779	3.8
161.04546	3.9
167.10751	11.6
179.05663	5.8
179.10791	22.2
181.08777	3.7
185.11821	5.2
191.05646	2.7
197.11838	4.9
199.09702	3.9
205.12312	3.4
215.12962	2.7
217.10907	4.5
223.13380	3.6
241.10774	4.9
241.14424	12.9
259.11850	58.1
259.15457	23.0
260.12259	3.8
301.12711	2.8
421.20966	72.1
422.21207	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.8
57.03452	3.1
58.00603	3.9
59.01381	100.0
60.01719	1.2
60.99283	0.3
64.80878	0.3
65.48793	0.4
65.92229	0.3
66.18184	0.3
67.01877	0.5
69.03444	0.7
71.01385	68.5
71.31694	0.5
71.32063	0.4
72.01703	0.5
72.99316	5.4
73.02950	8.8
75.00877	0.8
83.00935	0.7
83.01392	7.3
84.02155	0.5
85.02956	22.3
86.03307	0.5
87.00888	4.4
89.02448	72.6
90.02774	0.8
95.01388	5.0
97.02968	1.1
99.00893	5.3
101.02448	54.8
102.02795	1.1
111.00888	0.4
113.02456	26.3
114.02774	0.7
119.03506	26.7
119.74524	0.3
120.03880	0.4
124.01652	0.7
124.49937	0.4
125.02460	2.0
129.01944	1.0
131.03508	39.7
132.03867	0.8
143.03500	6.1
145.02953	0.5
149.04572	7.8
159.03026	1.8
161.04570	15.8
162.04840	0.7
169.01337	0.5
179.04144	0.6
179.05617	10.9
191.05608	6.1
199.13416	2.3
259.19070	0.8
289.16580	39.5
290.16919	3.1
347.18613	0.4
421.20132	1.3
421.24335	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
62.53101	2.1
62.57703	2.2
70.99560	4.9
121.00879	2.3
132.38280	2.2
170.32603	2.0
177.28154	2.2
337.31137	4.7
377.34283	25.7
378.34860	2.5
379.32397	7.0
421.33298	100.0
422.33713	11.5
442.18918	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35609	2.2
57.03444	4.0
59.01381	100.0
61.98828	6.3
70.51692	2.2
71.01388	42.9
71.29771	2.0
72.01740	2.9
72.99305	2.7
73.02950	7.7
74.99111	3.8
75.17217	2.0
83.01398	3.1
83.05058	2.7
85.02975	11.4
87.00874	5.5
87.30426	2.5
89.02451	42.3
90.02753	2.2
93.03452	3.3
95.01397	4.9
101.02448	23.1
109.02942	2.9
111.04474	3.1
113.02460	16.8
115.00346	3.0
119.03522	21.7
119.66584	2.2
123.04651	2.8
125.02412	2.9
127.07629	2.8
131.03500	11.4
137.02451	3.0
137.72118	2.3
143.03499	5.1
149.04530	5.7
161.04538	6.2
165.05745	2.9
173.04607	2.8
175.03998	4.3
179.05620	13.6
191.05632	15.5
199.09747	2.6
200.10202	3.5
201.11369	11.0
201.13298	2.0
217.05046	2.3
243.02945	2.8
243.12344	2.9
247.07164	6.6
247.11928	4.2
257.05591	2.6
259.11600	2.7
260.12149	4.2
261.13574	4.5
261.16809	6.0
270.68640	2.4
285.08789	4.2
289.16190	2.5
311.06714	3.0
343.09100	2.5
379.15985	3.9
422.21164	9.6
423.10492	22.1
423.15988	3.3
423.22592	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82657	0.8
57.03439	1.0
59.01381	13.1
70.93404	1.5
71.01388	5.7
72.99303	2.5
75.00867	1.7
79.95742	8.5
80.96515	0.9
82.91513	0.8
84.93819	0.8
85.02957	2.4
87.00884	1.1
89.02455	5.9
93.03477	1.0
96.95986	1.0
96.96983	0.8
99.00910	0.8
101.02434	3.4
109.02987	0.8
111.50002	0.7
113.02444	2.5
116.92881	1.0
119.05036	91.5
120.05376	3.2
125.02477	1.0
135.04539	14.9
137.06136	0.9
149.02438	1.1
161.04652	1.2
163.04025	36.2
163.05405	1.8
164.04410	2.5
177.05579	1.5
181.05087	18.3
199.00713	34.8
199.02553	1.7
200.00948	2.0
215.00218	18.6
216.00578	1.0
223.06139	1.8
242.99728	5.3
261.00729	12.4
343.10385	5.0
363.03799	0.9
363.07886	1.7
405.06091	1.5
423.06064	100.0
424.06329	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0728
Annotation	6-(3,4-Dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
Peak:m/z	Relative Intensity
52.87431	0.6
54.46518	0.6
57.03453	0.8
59.01373	2.6
61.98825	0.6
69.06970	0.6
69.22319	2.8
69.22745	2.3
71.01388	3.1
73.02933	0.7
83.01337	0.7
85.02955	1.2
93.03474	0.7
94.16045	0.6
98.21809	1.2
99.00864	0.7
101.02454	2.0
109.02966	2.7
109.91463	0.8
113.02430	1.2
121.70086	0.6
123.04551	3.0
125.02454	0.7
137.02429	2.5
145.02959	1.4
147.04475	0.8
149.02422	2.1
151.03978	1.2
152.07198	1.2
159.04604	1.1
161.02455	1.8
161.04558	1.0
161.05957	0.6
171.04520	1.2
173.02531	1.0
174.03185	1.0
175.04057	2.1
183.04573	0.7
186.03130	0.9
187.03978	1.2
188.04759	1.2
190.02777	1.4
190.05052	0.9
191.03540	3.6
199.03992	2.1
200.04813	1.9
202.02679	1.2
203.03548	5.0
214.02699	2.1
215.03517	1.9
216.04315	1.0
217.01480	0.9
226.02736	0.9
227.03529	2.1
228.04291	2.4
229.01401	4.3
229.04968	1.0
230.02126	2.9
231.02982	1.8
241.04944	0.6
243.02977	8.9
244.03725	2.8
254.02185	1.5
255.02975	1.0
258.01721	19.2
259.02448	11.3
270.05249	1.7
271.02505	27.8
272.03262	31.4
273.03922	2.9
285.04056	1.8
291.18091	1.0
298.01239	3.1
298.98834	0.6
299.01929	2.3
300.02692	2.3
301.03601	2.4
304.02380	0.7
313.03702	2.0
356.36139	0.6
387.15695	2.0
423.07236	100.0
424.07550	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78973	17.1
59.01394	91.7
60.98531	16.3
61.98833	100.0
66.58184	18.0
69.27685	45.2
69.28093	91.5
70.36105	16.8
71.01384	55.0
75.00904	22.7
85.02966	29.7
89.02478	30.3
96.96045	37.5
101.02454	49.9
113.79781	19.6
125.02421	33.1
137.02463	27.6
181.12460	17.2
205.44017	19.6
285.04181	38.7
292.21243	19.7
423.07104	53.1
423.17319	81.7
423.22626	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1792
Annotation	CHEMBL1689342
Peak:m/z	Relative Intensity
50.18334	9.3
55.90632	8.9
57.28947	10.3
57.38630	9.1
59.01376	46.8
61.98825	14.8
68.97399	11.5
68.97968	100.0
68.98299	17.7
71.01362	21.6
89.02477	17.6
94.35578	10.0
118.14296	11.7
119.03544	11.9
120.99664	39.1
125.02471	21.9
137.02452	18.1
164.11642	10.3
177.01926	14.0
202.06296	11.0
255.03015	11.2
259.53986	13.8
286.61496	10.3
287.11893	12.9
423.17850	73.3
423.22815	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1794
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
56.84319	16.2
59.01381	100.0
59.38112	18.3
60.36510	18.5
69.35011	14.5
69.54568	75.5
69.65380	16.6
71.01382	55.0
81.26299	16.0
88.07471	20.5
89.02445	19.6
95.01458	16.1
96.36168	18.2
101.02466	54.6
113.02396	27.9
113.33547	17.9
119.57139	18.8
140.86700	16.6
161.04512	23.9
191.05568	26.6
193.09276	18.2
423.17422	54.5
423.26044	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1796
Annotation	nymphaeol B
Peak:m/z	Relative Intensity
59.01376	38.7
61.94269	18.5
61.98827	21.4
66.39394	17.9
69.64836	100.0
71.01373	24.1
94.76292	17.6
95.02785	16.0
101.02432	19.8
121.64768	15.3
125.02480	19.3
137.13193	16.3
145.02971	76.1
146.08293	21.1
191.85365	18.0
200.27290	17.1
224.55435	17.4
249.02286	18.6
317.01135	35.7
423.17792	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1794
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
50.72494	8.0
51.68452	8.9
54.82119	8.1
59.01369	28.0
69.03600	96.3
70.25661	8.1
70.26102	8.6
71.01370	18.6
73.02922	8.4
85.02956	13.3
86.55415	9.0
89.02444	13.1
89.90530	8.9
96.85975	10.0
98.21709	18.6
99.00829	8.9
101.02449	18.5
122.32941	11.4
149.02460	10.6
150.03195	31.0
165.05594	33.1
191.05775	20.5
195.06528	18.6
423.17706	100.0
423.22113	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1786
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
59.01379	73.1
69.29324	22.6
69.29720	78.5
71.01379	18.0
73.02941	12.4
75.00876	17.4
85.02971	14.4
89.02457	17.7
98.21764	18.1
101.02451	22.9
103.44727	13.0
115.33084	11.0
120.99664	100.0
148.22984	12.6
149.02431	22.7
150.03265	27.4
153.76590	12.6
165.05582	46.4
165.49779	11.1
166.26421	10.5
195.06616	25.0
201.11319	16.9
242.84514	10.1
243.03201	31.3
243.12366	20.9
261.04379	25.5
261.11331	25.2
303.05426	35.9
363.07666	11.7
375.14444	17.2
423.09601	36.3
423.17395	98.3
424.17783	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19497	1.6
55.94309	1.7
57.03438	2.5
59.01377	38.4
61.98827	2.1
68.33939	1.5
71.01387	30.0
71.31799	3.0
72.99287	1.9
73.02959	11.4
75.00888	4.5
78.95905	2.2
83.01401	2.3
85.02959	9.5
89.02451	54.3
89.56675	1.6
93.45969	1.7
95.01391	4.8
99.00881	41.7
101.02447	12.9
113.02460	25.8
114.02782	1.8
119.03483	3.1
120.99658	1.7
125.02460	6.7
129.09230	100.0
130.09596	3.0
131.03465	8.5
136.99055	2.2
137.02455	6.7
143.03477	3.5
143.10786	3.4
145.02954	2.6
149.04568	42.1
151.04013	2.3
153.09242	2.2
161.04619	8.8
164.01083	1.8
165.01942	4.8
165.04047	7.8
171.10298	9.0
175.07635	2.4
179.10800	3.8
181.16782	1.9
184.90106	1.9
187.07722	2.3
191.05621	12.7
201.11322	4.5
213.11349	7.8
217.08678	3.2
233.06682	8.4
261.11261	1.9
293.08701	3.5
320.28259	2.1
323.12827	2.2
335.02686	2.1
367.11853	3.8
385.12888	5.6
423.16888	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46041	2.1
55.01865	2.4
59.01383	100.0
61.98830	13.4
70.12304	2.6
70.24082	2.4
71.01387	32.7
71.29497	2.3
71.29965	3.3
72.01723	3.0
73.02950	9.9
83.01406	3.5
83.05010	2.8
85.02958	16.0
87.00881	8.2
87.04524	2.9
89.02448	24.3
93.03451	6.1
96.96954	4.1
97.06576	3.2
99.00901	3.3
101.02458	27.6
109.02952	3.0
111.04524	2.7
113.02446	17.8
115.92085	4.0
117.05626	3.1
118.77982	2.7
119.03501	11.5
119.05015	3.8
125.02421	3.1
127.03979	2.9
134.94537	2.2
135.04529	8.0
137.02478	3.1
142.82655	2.5
143.03546	2.6
149.02490	4.3
150.03230	2.9
150.05684	3.3
156.08344	2.6
161.04556	15.0
164.04863	2.9
165.05606	3.3
173.04568	3.2
175.04214	2.7
179.03516	7.3
179.05594	6.0
191.05586	13.6
201.11298	10.5
243.02847	6.6
243.11765	2.3
255.03049	4.8
260.13071	2.5
267.11368	5.3
283.02774	2.3
285.12415	4.6
287.10449	3.2
313.03604	2.7
313.82346	3.0
329.11481	4.1
363.16626	72.8
364.16965	5.8
423.07092	4.4
423.22070	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95398	0.9
57.03438	3.1
59.01382	100.0
61.98845	4.4
70.41481	1.5
70.41792	1.7
71.01391	14.2
73.02943	1.6
75.00836	1.4
77.61092	1.1
83.01395	2.5
85.02958	2.1
87.04530	1.3
89.02446	2.7
93.72768	1.0
95.01369	0.9
99.00912	1.4
99.04543	2.2
101.02463	3.2
109.02989	4.9
113.02463	2.7
117.05582	1.1
119.03493	0.9
120.99657	1.6
121.02990	2.0
122.03651	0.9
123.00917	1.4
123.04528	3.6
125.02464	8.9
133.02931	1.2
137.02458	4.0
139.04016	1.1
149.02435	3.4
149.06064	3.1
150.03117	1.0
151.04019	6.3
161.02432	3.6
161.04561	3.6
161.05997	1.1
163.00291	1.4
163.04001	1.5
165.01947	1.5
169.08681	3.5
173.06107	3.1
175.03983	9.1
177.01930	5.5
183.04414	1.1
187.04053	1.5
187.09702	2.4
199.03998	2.7
201.05615	1.6
201.11339	5.4
205.04953	1.9
211.04109	2.2
213.05688	1.4
217.05023	4.8
219.02954	1.2
227.03545	2.6
229.05060	2.3
231.03029	1.4
243.02997	9.8
247.06122	0.9
253.05118	1.5
255.02994	6.7
256.03726	2.9
257.04337	1.6
261.04126	2.5
267.96698	0.9
269.04486	1.6
273.04147	2.9
275.85803	1.0
283.02478	3.6
285.04062	2.8
297.04080	2.2
313.12943	8.8
331.14020	12.9
332.14355	1.6
337.07397	1.1
423.06732	15.3
423.12085	1.3
423.18402	2.0
424.07513	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
57.03447	0.3
58.00591	0.6
59.01386	13.3
60.01693	0.2
69.03444	0.9
69.12960	1.4
69.13365	0.4
71.01387	17.6
71.30972	0.2
72.01685	0.3
72.99320	2.3
73.02946	1.3
74.05920	0.3
75.00879	23.2
76.01227	0.3
79.95754	0.4
81.03452	0.9
83.01392	0.8
85.02955	2.3
87.00860	0.5
89.02454	20.2
90.02795	0.4
95.01408	0.5
96.96003	1.1
97.02958	1.3
99.00884	0.7
101.02454	4.2
109.02959	0.3
113.02460	2.9
119.03489	0.8
120.99662	0.4
125.02460	8.1
129.01967	0.3
129.09233	100.0
129.21295	0.2
130.09564	3.9
131.03525	3.9
143.03511	1.0
149.04579	4.2
151.03996	0.5
158.28888	0.2
161.04567	0.7
165.04077	0.8
191.05562	0.7
195.06564	0.2
198.32550	0.3
201.55769	0.2
233.06686	0.6
273.55530	0.2
275.47128	0.2
293.08853	2.8
294.09171	0.3
423.17282	0.8
423.22354	14.4
424.22717	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95734	1.5
55.01885	7.2
57.03444	4.0
58.00585	2.0
58.53940	1.6
59.01382	100.0
71.01386	94.1
72.01730	1.5
72.99332	3.7
73.02953	23.4
75.00891	2.0
76.50723	1.6
83.01405	12.1
85.02956	38.1
87.00900	8.9
89.02451	65.7
95.01389	8.4
99.00891	7.1
101.02449	78.2
109.02977	2.0
113.02458	50.3
114.51070	1.6
119.03509	26.1
125.02437	8.3
129.01979	1.9
131.03506	13.1
137.02396	2.2
143.03465	7.6
149.04581	3.2
151.00441	1.8
159.03027	3.7
161.04556	36.2
175.03929	1.9
179.05630	31.7
221.06686	38.7
229.01480	1.9
261.13449	2.8
263.07837	7.9
286.90628	1.7
423.03186	2.7
423.18579	29.1
424.18887	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25773	0.5
53.85228	0.6
54.04486	0.6
55.01890	5.4
57.03456	4.8
58.00583	2.3
59.01383	42.6
69.03427	0.6
69.52623	0.6
71.01387	47.9
72.01713	0.6
72.99303	2.6
73.02952	20.9
75.00867	1.3
80.40244	0.6
83.01395	14.7
85.02957	34.1
86.00088	1.3
87.00873	3.1
88.58863	0.7
89.02453	7.8
93.23358	0.6
95.01373	3.1
96.59198	0.6
96.96030	1.2
97.02953	2.0
99.00888	10.1
99.70515	0.5
101.02451	60.5
102.02773	1.0
109.02973	0.8
111.00877	1.9
113.02464	21.6
113.44104	0.6
113.87965	0.6
119.03471	1.5
125.02456	2.6
127.11355	0.7
128.76680	0.6
129.01921	1.8
129.12836	1.1
131.03514	27.8
134.13173	0.6
143.03506	3.3
157.32857	0.6
159.03021	4.1
161.03253	1.3
161.04578	24.8
162.04863	0.6
199.13464	0.9
205.03462	1.4
233.06691	0.6
238.35884	0.7
261.11362	1.8
277.16571	1.2
289.07141	1.1
291.18149	100.0
292.18448	8.1
335.17093	1.6
423.07239	1.6
423.22470	5.1
423.95654	0.8
424.23441	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.0
57.03465	3.9
58.00593	1.0
59.01100	1.7
59.01385	28.0
68.99770	0.6
69.19407	6.2
71.01388	41.1
72.01720	0.9
72.99306	2.1
73.02955	19.1
75.00867	1.1
75.47195	0.8
83.01392	10.3
84.49564	0.7
85.02959	26.2
86.00097	0.7
87.00877	2.0
89.02454	9.0
95.01411	3.6
97.02936	2.1
98.22645	1.4
99.00888	7.8
99.04549	0.7
101.02451	45.0
111.00929	1.3
113.02459	17.8
119.03545	0.9
125.02460	2.6
127.11319	0.9
129.01984	1.3
131.03476	2.0
143.03508	2.2
148.77975	0.7
159.02960	4.0
161.04578	21.3
182.08405	0.7
191.05742	0.9
199.13240	0.9
233.06734	1.6
271.15469	0.9
291.18158	100.0
292.18491	8.9
335.17313	1.0
423.22391	29.8
424.22906	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	6.7
57.03453	5.6
58.00596	1.6
59.01382	43.1
69.03462	1.3
69.14651	6.9
71.01389	62.1
72.99305	2.9
73.02957	26.1
83.01388	14.5
85.02959	37.1
86.00121	1.9
86.03293	1.3
87.00893	3.1
89.02454	12.5
95.01382	4.0
97.02967	3.2
98.21809	1.7
99.00897	13.7
101.02451	66.1
102.02804	1.9
109.02970	1.4
110.51341	1.0
111.00887	3.3
113.02461	24.5
125.02487	2.5
129.01956	2.7
129.02852	0.8
129.12885	1.0
131.03511	22.6
141.01924	1.1
143.03511	2.6
149.04594	1.4
159.03041	4.9
161.04578	27.7
182.61441	0.8
205.03593	1.1
233.15604	1.0
271.02563	2.4
272.03104	0.8
277.23108	0.9
289.07263	1.8
291.18161	100.0
292.18524	6.9
301.27774	1.2
377.92862	1.0
383.87164	0.9
387.14786	1.5
423.07077	2.0
423.22427	43.6
423.27679	1.6
424.22839	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.9
57.03452	3.7
58.00599	1.7
59.01382	36.3
61.98819	0.3
63.00400	0.3
66.03430	0.3
67.01875	0.3
69.03453	1.1
70.11643	0.8
71.01387	41.5
72.01699	0.4
72.99318	1.9
73.02950	21.7
74.03297	0.3
75.00881	0.8
75.57885	0.3
76.12476	0.3
81.03488	0.5
83.01395	16.7
83.05031	0.4
84.01723	0.4
85.02957	25.7
86.00114	1.3
86.03304	0.5
87.00887	2.1
87.04481	0.3
89.02452	6.0
95.01388	3.2
97.02940	1.7
99.00890	7.1
99.04520	0.4
101.02450	54.8
102.02805	1.3
103.04019	2.2
109.02989	0.4
111.00896	1.2
111.04538	0.7
113.02461	15.9
113.09734	0.6
114.02788	0.4
115.11294	0.7
119.03498	1.5
125.02454	2.7
127.04018	0.3
129.02017	1.4
129.02856	0.3
131.03458	0.6
141.01970	0.5
143.03534	2.6
145.05069	0.8
159.03003	4.1
161.04562	21.4
162.04950	0.5
163.06140	1.5
185.11835	0.5
227.57831	0.3
229.07196	1.0
247.08275	1.2
277.16574	100.0
278.16916	7.0
321.15579	0.7
423.22379	25.0
424.22733	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.9
57.03452	3.7
58.00599	1.7
59.01382	36.3
61.98819	0.3
63.00400	0.3
66.03430	0.3
67.01875	0.3
69.03453	1.1
70.11643	0.8
71.01387	41.5
72.01699	0.4
72.99318	1.9
73.02950	21.7
74.03297	0.3
75.00881	0.8
75.57885	0.3
76.12476	0.3
81.03488	0.5
83.01395	16.7
83.05031	0.4
84.01723	0.4
85.02957	25.7
86.00114	1.3
86.03304	0.5
87.00887	2.1
87.04481	0.3
89.02452	6.0
95.01388	3.2
97.02940	1.7
99.00890	7.1
99.04520	0.4
101.02450	54.8
102.02805	1.3
103.04019	2.2
109.02989	0.4
111.00896	1.2
111.04538	0.7
113.02461	15.9
113.09734	0.6
114.02788	0.4
115.11294	0.7
119.03498	1.5
125.02454	2.7
127.04018	0.3
129.02017	1.4
129.02856	0.3
131.03458	0.6
141.01970	0.5
143.03534	2.6
145.05069	0.8
159.03003	4.1
161.04562	21.4
162.04950	0.5
163.06140	1.5
185.11835	0.5
227.57831	0.3
229.07196	1.0
247.08275	1.2
277.16574	100.0
278.16916	7.0
321.15579	0.7
423.22379	25.0
424.22733	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2393
Annotation	Dendronpholide G
Peak:m/z	Relative Intensity
53.36524	0.7
54.56568	0.6
55.01871	2.2
57.03454	39.1
58.00608	1.1
58.03784	0.6
59.01386	21.0
61.98842	0.6
63.08908	0.6
69.01625	6.6
69.01947	1.1
69.03460	3.9
71.01389	15.7
72.99308	1.2
73.02952	7.4
74.80829	0.6
75.00880	0.9
83.01402	6.4
83.05031	19.2
84.05368	0.9
85.02955	9.3
88.92568	0.6
89.02443	2.4
91.61700	0.7
93.03475	10.7
95.01392	1.3
95.05016	0.9
96.96002	1.2
97.02943	2.9
99.00886	3.4
99.04532	2.1
99.53537	0.6
101.02444	18.1
103.04056	0.7
105.48916	0.7
108.04650	0.6
108.45780	0.6
109.02969	9.9
111.00867	0.8
111.04529	72.4
112.04879	3.0
113.02451	5.1
119.03506	0.7
123.08117	0.9
125.02484	1.5
137.02457	1.0
143.03534	0.8
151.07642	1.7
159.03036	1.0
161.04590	7.4
163.07657	0.8
167.03705	0.7
169.08719	16.9
175.07628	2.0
177.09207	2.3
191.05656	1.0
193.12357	1.4
203.03522	0.9
225.05534	1.3
261.11246	1.3
261.15027	1.6
271.02628	0.7
277.16577	34.1
278.16922	1.5
287.16534	6.6
292.85867	0.8
295.06049	0.8
310.08493	2.0
328.09848	0.8
343.11893	4.5
345.20883	1.6
423.07837	6.4
423.23877	100.0
424.07806	1.1
424.24136	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	17.2
59.01371	3.2
59.60994	1.1
67.01882	2.5
69.03448	2.6
71.30562	1.5
71.59193	1.2
80.02666	5.7
85.02960	11.3
85.06596	10.9
85.12452	1.3
93.03463	1.8
95.01402	2.0
95.05035	13.1
98.03738	7.0
104.37182	1.2
111.00854	5.6
120.05808	3.5
121.06559	2.0
123.08157	1.7
147.28110	1.3
152.04828	2.9
179.72855	1.3
245.19173	1.5
294.91217	1.3
297.28134	1.3
313.88516	1.6
319.29739	1.8
321.28162	4.2
335.29630	2.5
337.31122	3.4
361.31131	17.2
362.31308	3.6
379.32202	100.0
380.32578	10.2
423.31079	62.8
423.36807	1.7
424.31613	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3272
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
54.10422	0.4
69.20034	2.1
69.20457	1.3
71.31331	0.4
73.27467	0.4
86.94986	0.4
108.94440	0.4
134.65004	0.4
189.12888	0.6
195.44116	0.4
205.15976	100.0
206.16327	6.5
377.38074	1.3
423.32739	52.5
423.38177	3.5
423.92709	0.5
424.33121	9.0
424.38528	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53869	1.4
57.09673	1.4
59.01382	12.3
61.98834	100.0
67.78725	1.5
71.01380	8.8
73.02970	2.8
75.00883	1.8
85.02950	3.2
89.02440	5.0
96.96008	8.1
99.00903	1.8
101.02449	6.6
109.02984	2.1
113.02459	5.1
119.03506	1.8
125.02434	9.7
136.35104	1.6
137.02415	2.5
137.09676	1.8
149.99609	2.3
155.10808	8.8
161.04497	2.5
168.00662	5.5
199.09750	16.4
201.12862	3.2
204.11528	4.9
219.13957	11.8
245.11716	3.5
257.62311	1.5
263.12900	34.3
289.07153	2.6
305.14520	1.7
316.51907	1.6
356.19568	1.6
424.17331	2.6
425.07379	6.2
425.18036	11.2
429.29578	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
59.01368	1.2
61.76442	0.3
65.00322	0.8
65.03971	1.9
67.01884	1.1
69.03445	0.3
69.58629	0.6
69.59036	1.0
71.01383	0.6
74.17651	0.3
81.03444	0.6
82.91752	0.3
83.01395	4.5
83.05038	0.9
84.08691	0.2
87.24335	0.3
89.03992	0.9
91.01883	1.0
92.64439	0.3
93.03470	1.4
95.01385	0.6
95.05031	1.0
97.02950	1.6
98.21853	0.5
103.05538	0.4
105.03461	1.2
107.05039	5.6
108.02177	1.6
109.02961	18.2
110.03299	0.4
117.03462	0.6
119.03484	0.3
119.05052	0.9
121.02942	2.5
121.06575	0.5
122.03725	0.9
123.00892	0.4
123.04537	13.6
124.01662	1.1
124.04816	0.5
125.02452	8.3
126.12920	0.3
130.04237	0.8
131.05064	2.8
133.02977	4.1
135.00856	0.6
135.04561	1.5
136.01659	1.2
137.02448	3.5
139.04001	1.1
141.77863	0.2
143.05017	1.1
145.02985	1.2
145.06627	0.5
146.03690	0.6
147.04543	1.2
149.02466	5.9
149.06099	0.9
150.03188	1.1
151.04018	28.7
152.04358	1.2
157.06693	0.3
158.03790	0.4
159.04533	3.3
160.05215	0.3
161.02458	2.8
161.06113	1.9
162.03207	0.8
163.04033	6.1
163.07616	0.4
164.04408	0.3
165.05476	0.3
165.60385	0.3
167.05009	0.4
169.06645	0.3
171.04474	0.4
173.02441	0.3
173.06062	0.6
174.03215	1.1
175.04013	24.8
176.04384	1.1
177.01941	11.4
177.05531	0.7
183.04495	0.7
184.05301	0.3
185.06143	1.6
186.03090	0.5
187.04022	14.2
187.07597	0.8
188.04749	2.2
189.01924	1.5
189.05563	2.1
190.02705	0.8
191.03497	0.6
193.05077	3.4
194.05402	0.3
199.04047	1.8
200.04817	0.5
201.05621	1.6
202.06316	0.4
203.03511	1.7
203.07123	1.0
204.04257	0.8
205.05074	4.6
211.04004	4.2
212.04639	0.7
213.01895	0.4
213.05519	2.8
214.02756	2.9
214.05952	0.4
215.03494	4.6
216.04044	1.1
217.01392	0.4
217.05066	4.2
218.05461	0.3
219.03076	1.6
219.06587	0.4
221.92050	0.4
225.05473	0.8
227.03511	4.2
227.07098	0.4
228.04263	2.7
229.05077	10.2
229.08607	0.6
230.05688	1.3
231.03015	1.9
231.06560	1.6
236.03114	0.4
237.05692	0.6
239.03520	0.6
242.02309	0.5
243.02985	5.6
244.03517	0.4
245.04527	0.4
247.06117	1.0
253.05098	2.0
253.08611	0.6
254.05907	0.5
255.02992	23.1
255.06502	1.3
256.03714	11.9
257.04517	5.0
259.06171	0.6
261.04056	0.5
264.04391	0.5
269.04636	2.1
271.06107	0.4
271.09677	0.7
273.04056	10.0
274.04581	1.3
281.04544	7.9
282.01691	1.6
282.05002	0.8
283.02463	3.6
284.03094	1.1
285.04059	5.3
286.04333	0.4
288.02890	1.7
293.85504	0.3
295.09607	0.3
297.04047	2.1
297.07657	2.3
298.04745	0.7
298.07986	0.3
299.05557	1.2
315.08722	1.7
315.51807	0.3
321.07626	0.6
323.05603	0.4
339.08725	15.4
340.09052	1.5
341.06610	1.3
345.07513	0.4
357.09671	0.8
363.08884	0.7
365.18274	0.7
381.09811	6.6
382.10205	0.7
383.07813	0.8
389.06653	1.0
407.07727	100.0
408.08060	12.1
425.08801	8.6
426.09073	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0882
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
57.03328	1.3
57.03632	0.4
65.00204	0.7
65.03832	1.6
65.04204	0.6
67.01772	0.9
69.03330	0.7
69.57015	1.0
81.03345	0.5
83.01245	5.1
83.01799	1.0
83.04893	0.7
83.05340	0.4
89.03833	0.8
91.01751	0.9
93.03304	1.5
95.01281	0.5
95.04879	1.3
97.02799	1.4
97.81240	0.2
101.02361	0.2
105.03301	0.8
107.04873	5.4
107.05659	0.5
108.02013	1.3
109.02790	16.3
109.03613	1.7
110.03179	0.4
110.03844	0.2
110.65192	0.2
114.13156	0.2
117.03316	0.7
117.04073	0.2
119.04862	1.3
121.02778	2.2
121.06486	0.5
122.03522	0.9
122.04363	0.4
123.00773	0.5
123.04354	12.7
123.05350	1.0
124.01498	0.7
124.02406	0.2
124.04755	0.4
125.02274	13.6
125.03292	1.0
126.02675	0.5
130.04111	0.5
131.04843	2.6
133.02777	4.2
133.06465	0.2
135.00789	0.4
135.01691	0.2
135.04350	1.8
136.01480	1.0
137.02264	13.1
137.03383	1.0
138.02600	0.6
139.03821	1.3
143.04826	1.2
145.02954	1.3
145.06421	0.6
146.03598	0.5
147.04329	1.2
148.01523	0.5
149.02457	6.1
149.03542	0.4
149.06023	0.4
150.03001	1.2
151.04019	26.5
151.05724	0.9
152.04135	0.9
155.04828	0.4
157.06473	0.3
158.03561	0.7
159.04535	2.8
160.05040	0.4
161.02454	4.8
161.04497	0.2
161.06091	2.0
162.02948	0.6
163.00284	0.4
163.04031	6.2
163.05254	0.3
164.00987	0.4
164.04259	0.3
165.01784	0.4
165.05464	0.4
167.04985	0.2
169.06390	0.3
171.04327	0.7
172.05151	0.3
173.02238	0.3
173.06018	1.1
174.03050	0.8
175.04013	23.7
176.00943	0.3
176.04330	1.5
177.01945	11.9
177.03392	0.4
177.05434	1.2
178.02095	0.5
182.03523	0.3
183.04327	0.6
184.05180	0.4
185.06087	1.2
186.03125	0.3
187.04018	14.2
187.05571	0.5
187.07512	0.4
188.04729	2.0
189.01976	1.4
189.05563	1.8
190.02501	0.8
191.01651	0.3
191.03310	1.0
193.05058	2.9
198.03137	0.2
199.03986	2.0
200.01060	0.4
200.04523	0.7
201.01712	0.3
201.05542	1.6
203.03532	2.0
203.07001	1.0
204.04080	0.6
205.05057	4.3
209.05939	0.4
211.04024	4.1
211.07394	0.4
212.04556	0.9
213.01952	0.3
213.05602	3.4
214.02773	2.1
214.06017	0.3
215.01682	0.3
215.03503	3.8
215.06566	0.2
216.04012	0.5
217.01515	0.3
217.05081	3.7
218.05251	0.2
219.03067	1.3
224.04808	0.2
225.05324	1.0
227.03529	4.6
227.06921	0.3
228.04285	2.7
229.05066	9.3
229.08553	0.9
230.05734	1.4
231.02971	1.7
231.06569	1.6
233.04192	0.2
237.05377	0.9
238.06110	0.3
239.03322	0.6
240.04260	0.3
241.05013	0.6
242.02068	0.6
243.02977	5.0
243.06551	0.4
244.03316	0.3
245.04482	0.5
247.06007	0.9
247.09787	0.3
251.06848	0.5
253.05083	1.8
253.08609	0.5
255.02994	21.9
255.06398	1.1
256.03726	11.8
257.04529	5.2
258.04843	0.6
259.05801	0.6
261.03885	0.6
269.04614	2.1
271.09628	0.4
273.04053	11.3
274.04501	1.4
279.06717	0.4
280.03580	0.5
281.04575	8.2
282.01550	1.2
282.04874	0.7
282.99783	0.2
283.02530	3.5
284.02975	0.9
285.00833	0.3
285.04050	4.9
286.04306	0.3
287.05524	0.8
288.02814	1.8
295.09787	0.5
297.03906	2.1
297.07535	2.4
298.04599	0.5
298.07788	0.4
299.05618	1.4
315.08810	1.5
321.07571	0.7
323.05453	0.3
339.08740	15.0
340.08926	1.1
341.06509	1.2
357.09714	1.3
363.08624	1.3
381.09750	5.7
382.10159	0.7
383.07681	0.5
389.06702	1.3
407.07733	100.0
408.08072	12.0
425.08795	7.7
426.09280	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.7
59.01367	0.8
65.00315	1.0
65.03968	1.8
67.01880	1.4
67.46888	0.2
68.99811	0.3
69.03445	1.0
71.01387	0.4
78.95900	0.2
79.05554	0.2
80.97392	0.2
81.03480	0.3
83.01389	7.0
83.05025	1.1
85.02972	0.2
89.02442	0.4
89.03978	1.4
91.01889	1.0
93.03473	2.0
95.01405	0.6
95.05022	1.4
97.02959	1.6
98.22525	0.4
101.02438	0.3
105.03449	0.9
107.01395	0.4
107.05037	6.3
107.05749	0.4
108.02180	1.7
108.05372	0.2
109.02957	21.6
110.03315	0.5
111.00923	0.3
115.05545	0.5
117.03489	0.7
117.05614	0.4
119.03626	0.2
119.05016	1.2
121.02969	3.0
121.06608	0.7
122.03734	1.2
123.00906	0.6
123.04534	16.3
124.01707	1.0
124.04845	0.6
125.02454	19.1
126.02782	0.7
127.05531	0.2
130.04210	0.6
131.05034	3.6
133.02965	5.9
133.06606	0.2
135.00871	0.7
135.04558	2.0
136.01675	1.1
137.02452	22.6
138.02823	0.7
139.04008	1.6
143.05058	1.7
145.02968	1.6
145.06570	1.0
146.03743	0.8
147.00996	0.2
147.04535	1.6
148.01689	0.4
149.02448	6.9
149.06032	0.9
150.03246	1.3
151.04016	30.7
152.04318	1.3
153.01978	0.2
155.05025	0.2
157.03067	0.3
157.06609	0.5
158.03746	0.6
159.04529	4.2
160.05138	0.3
161.02454	5.8
161.06064	2.4
162.03244	0.9
163.00423	0.4
163.04021	6.8
163.07672	0.3
164.01160	0.4
164.04480	0.4
165.01938	0.4
165.05554	0.2
169.06512	0.4
170.03778	0.3
171.04553	0.5
172.05276	0.4
173.02443	0.5
173.06073	1.1
174.03195	1.2
175.04004	28.3
176.01122	0.6
176.04359	1.4
177.01935	14.1
177.05478	1.1
178.02324	0.7
181.06517	0.2
183.04472	1.0
184.05266	0.4
185.02408	0.4
185.06041	2.0
186.03210	0.4
187.04012	15.7
187.07585	0.7
188.04698	2.3
189.01964	1.9
189.03540	0.2
189.03856	0.2
189.05542	2.6
190.02692	1.0
191.03520	1.1
193.05045	3.6
197.06105	0.2
198.03271	0.4
199.04012	1.9
200.01286	0.2
200.04738	0.5
201.01872	0.4
201.05554	1.9
202.06201	0.3
203.03510	2.2
203.07170	1.3
204.04196	0.8
205.05060	4.3
206.05507	0.4
209.06055	0.4
211.04015	4.6
211.07440	0.3
212.04752	1.0
213.01981	0.5
213.05574	3.3
214.02716	2.5
214.06108	0.5
215.03508	4.4
215.06941	0.2
216.00638	0.2
216.04109	0.7
217.01495	0.5
217.05025	4.2
219.02989	1.6
219.06572	0.2
220.03706	0.2
224.04842	0.2
225.05612	1.1
227.03514	4.6
227.07140	0.5
228.04254	3.3
229.05055	11.6
229.08752	0.5
230.05640	1.8
231.03046	2.1
231.06572	2.2
232.03543	0.2
233.04523	0.4
236.03268	0.2
237.05557	0.7
238.06236	0.3
239.03461	0.6
240.04137	0.3
241.05058	0.8
242.02272	0.6
243.02989	5.7
243.06689	0.5
244.03433	0.4
245.04518	0.6
247.06100	1.4
251.07130	0.3
253.05075	2.2
253.08748	1.0
254.05690	0.4
255.02986	23.5
255.06471	1.2
256.03732	13.6
257.04504	6.2
258.04944	0.6
259.06161	0.5
261.04114	0.5
264.04233	0.3
267.03061	0.3
267.06259	0.2
269.04568	2.8
270.04953	0.2
271.06143	0.6
271.09808	0.8
273.04050	12.0
274.04593	1.3
277.08688	0.2
279.06635	0.5
280.03738	0.5
281.04553	8.9
282.01678	1.5
282.04965	0.7
283.02463	4.1
284.03241	1.4
285.04062	5.9
286.04373	0.6
287.05530	0.8
288.02753	1.8
295.09723	0.6
297.04013	2.0
297.07678	2.4
298.04797	1.0
298.07776	0.2
299.05573	1.7
313.10953	0.2
315.08820	1.8
321.07516	0.8
322.51517	0.2
323.05643	0.2
339.08725	15.4
340.08951	1.4
341.06619	1.4
357.09827	1.1
359.05066	0.2
361.07050	0.2
363.08850	1.0
381.09808	6.5
381.14825	0.4
382.10181	0.7
383.07742	0.4
389.06787	1.2
407.07712	100.0
408.08051	12.4
425.03055	0.4
425.08777	8.5
426.09317	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1283
Annotation	Mometasone
Peak:m/z	Relative Intensity
54.52375	0.3
57.87636	0.4
59.01369	1.6
70.35922	1.3
71.01386	0.8
79.95741	100.0
80.96539	0.6
85.02950	0.5
89.02452	0.5
95.95242	25.3
96.96017	44.7
97.96001	0.4
98.21867	0.4
101.02439	0.6
107.03783	0.4
109.96793	1.4
110.97584	19.7
121.69742	0.4
122.06147	1.4
124.95524	0.5
135.04480	0.5
136.99112	2.6
141.95781	16.3
151.00705	1.6
152.07172	2.8
152.98656	1.6
165.02205	0.5
187.04135	0.4
190.05057	1.1
201.12737	0.7
210.58264	0.4
219.13940	0.7
222.07693	0.9
228.04294	0.9
243.06635	1.8
263.12820	1.8
287.05869	0.8
295.85501	0.4
330.14658	0.4
345.16980	0.7
387.15619	3.2
410.10428	0.6
425.12784	74.8
426.13150	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09102	0.4
56.44052	0.5
58.58086	0.4
65.13886	0.5
69.02984	0.9
69.03389	4.3
75.86156	0.4
78.29727	0.4
79.95746	93.5
80.63586	0.4
93.12399	0.4
95.95238	23.7
96.83340	0.5
96.96020	43.0
98.21791	1.1
109.96790	3.2
110.97589	26.0
112.44958	0.4
123.08035	0.5
124.95502	0.6
136.99135	2.4
141.95784	14.5
150.50708	0.4
151.00739	1.3
152.55011	0.5
152.98630	1.8
165.02275	0.9
219.13864	0.9
221.96677	0.4
224.85555	0.5
228.04312	1.1
243.06639	2.9
263.12903	1.9
276.48950	0.5
301.07602	0.8
330.14859	0.7
345.16998	0.6
380.16379	0.6
410.10193	0.5
425.12796	100.0
426.13104	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1281
Annotation	Mometasone
Peak:m/z	Relative Intensity
58.00585	0.5
59.01131	0.5
59.01385	6.7
59.40271	0.5
69.17357	4.3
71.01390	5.6
72.93335	0.5
72.99292	0.6
74.02465	0.7
79.95744	62.1
85.02960	0.7
89.02461	5.5
95.01405	0.7
95.95242	15.6
96.96021	37.6
98.21721	0.5
99.04523	0.6
101.02458	2.9
109.96806	0.7
110.97590	39.9
113.02456	2.2
113.97063	0.6
116.05049	0.8
119.03500	2.0
136.99159	2.4
141.95795	11.4
143.40282	0.5
148.10367	0.6
151.00702	3.3
152.98625	0.7
165.02235	0.6
179.05779	1.0
200.04727	1.3
201.12865	5.9
202.13153	0.7
203.08417	2.5
212.04820	0.7
213.05524	0.7
214.02748	1.0
219.13913	5.4
220.14336	0.6
228.04321	4.9
229.04704	1.1
232.57445	0.6
243.06686	4.5
245.11855	12.3
246.12321	1.1
263.12894	17.7
264.13220	1.4
287.12891	1.4
305.14066	1.2
311.14081	1.7
315.12396	9.5
316.12772	0.6
330.14798	9.4
331.15314	0.9
345.17215	4.2
355.25497	0.7
382.61310	0.6
395.07974	1.5
410.10184	2.5
411.10300	0.5
425.12808	100.0
426.13135	12.2
426.18234	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.9
55.24338	1.6
56.92758	1.6
57.03445	8.7
58.00589	3.4
59.01382	73.3
60.41677	1.9
69.03468	2.3
69.29646	1.5
71.01387	88.2
71.29925	2.2
72.99305	2.4
73.02653	1.3
73.02950	16.0
75.55306	1.3
83.01387	8.9
85.02943	20.9
85.06593	1.8
87.00891	3.4
89.02452	46.7
93.03443	2.4
95.01399	5.5
97.02943	3.2
99.00863	5.5
99.58916	1.4
99.88973	1.5
101.02452	53.1
101.03126	2.6
101.06115	2.7
109.02956	7.2
111.00941	1.9
113.02457	38.8
119.03513	25.0
121.02924	2.0
123.04528	4.9
124.01681	3.4
125.02457	25.3
131.03511	2.0
133.02953	1.8
133.06567	4.5
135.08168	14.5
137.02448	18.9
137.06055	5.4
137.09746	4.1
138.06894	4.1
143.03482	5.5
147.08119	1.6
149.02376	1.8
149.04558	2.2
149.99590	6.8
151.00313	2.1
151.04022	7.0
159.02997	3.0
161.02480	3.3
161.04553	33.0
163.03969	3.9
165.09196	11.0
168.00639	12.8
169.01363	2.3
175.03984	5.7
177.01933	3.6
179.03520	1.6
179.05693	7.5
187.03998	5.8
189.12711	2.0
191.14383	3.4
201.12808	14.8
205.05208	1.9
217.12288	2.6
219.13910	60.2
220.14272	3.5
227.03468	1.8
227.07214	6.3
229.05063	3.3
245.11806	7.4
255.03024	4.6
256.03745	2.1
263.12851	10.8
265.47919	1.5
273.04080	5.5
281.04642	1.6
289.07111	1.7
322.05304	2.0
339.08774	4.4
381.19110	5.9
407.07776	24.9
408.07980	3.1
425.07391	17.1
425.18182	100.0
426.18225	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98069	1.7
51.81588	1.6
52.02234	1.8
52.37496	1.7
57.03446	3.4
59.01385	34.4
61.98837	2.1
69.55550	8.1
69.58009	1.8
71.01385	26.4
71.05579	1.9
72.99350	2.2
73.02946	5.1
80.25261	1.6
83.01395	6.3
85.02506	2.5
85.02945	11.7
87.00842	2.8
87.10570	1.8
89.02452	13.3
95.01369	2.3
96.96023	11.1
97.03000	2.3
99.00902	3.6
101.02449	17.9
109.02967	2.5
111.04416	1.9
113.02455	10.8
119.03519	6.7
125.02453	9.4
125.06069	2.5
129.87257	1.8
139.07687	2.0
161.04543	5.8
165.09245	3.9
168.00627	4.4
189.12831	3.8
201.12862	7.5
219.13921	10.1
235.06046	2.6
245.11876	10.2
263.12857	30.0
263.15265	3.4
291.04651	1.9
425.07095	8.4
425.18179	100.0
426.18408	11.1
430.82867	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	39.7
61.98819	10.4
69.11057	21.3
69.11474	42.2
71.01376	28.2
71.10700	6.9
74.45833	6.2
85.03004	9.3
85.55830	8.0
89.02448	22.2
96.96002	15.7
97.02971	7.9
101.02448	12.8
109.61508	6.4
111.04537	14.7
113.06040	9.0
122.03738	11.3
125.06105	21.7
125.09763	12.6
130.84586	6.8
137.06029	9.5
138.06894	16.1
139.07690	32.5
149.04562	9.2
151.07655	69.9
152.04816	9.6
152.08450	38.3
153.09227	12.6
163.07707	7.5
172.62589	6.8
201.12784	32.5
203.10733	17.7
204.11624	37.1
219.13882	78.1
235.13397	8.0
245.11806	16.3
263.12872	100.0
279.07016	7.0
282.99261	7.2
360.70074	6.6
425.18011	19.1
426.19443	7.7
443.37332	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1821
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
54.06841	1.3
58.00594	2.6
59.01383	35.5
68.98125	9.8
68.98532	2.8
69.47180	1.4
71.01385	23.7
72.99321	2.5
85.02958	4.8
89.02453	21.3
95.01411	3.3
98.21820	3.6
101.02457	9.5
113.02462	10.4
119.03551	6.8
127.99978	1.7
132.05447	1.6
143.03642	1.7
161.04536	2.5
166.42047	1.6
170.24742	1.7
170.47783	1.4
173.09792	2.3
173.13397	2.8
175.15031	1.4
179.05627	3.9
185.09706	3.5
200.45107	1.5
201.12892	14.4
203.08276	1.8
205.15840	1.6
219.13898	87.6
220.14214	6.7
233.15421	3.5
245.11812	53.2
246.12291	3.1
263.12894	100.0
264.13229	9.7
286.40866	1.5
305.13992	18.1
323.09479	1.6
332.72076	1.8
363.63638	1.5
365.12863	3.4
366.77719	1.6
425.17841	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1822
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
57.03453	1.0
58.00599	0.8
59.01383	16.1
59.05209	0.9
59.90900	0.8
60.67200	0.8
64.41381	0.8
65.15305	0.8
68.99825	2.4
69.34330	5.0
69.34734	1.6
71.01392	8.8
78.38831	0.8
78.70076	0.8
80.17082	0.8
85.02966	2.6
89.02448	6.7
98.22575	0.9
101.02446	3.4
113.02470	3.0
119.03535	1.4
161.06273	0.9
165.01985	1.1
173.09827	1.2
175.07651	3.8
177.48615	0.8
179.05516	1.1
181.88692	0.9
185.09647	1.1
201.12854	10.1
219.13904	88.7
220.14206	7.1
235.70667	0.9
245.11865	10.4
246.12302	1.1
263.12891	100.0
264.13239	8.5
265.17606	1.0
286.60684	0.9
291.81686	0.9
305.14008	6.1
327.21579	1.1
425.18253	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73488	2.3
57.03444	8.1
59.01384	24.9
61.98837	4.8
65.44992	2.9
67.74707	2.5
71.01383	10.7
71.32247	3.9
72.99333	2.5
73.02945	3.1
75.00893	5.0
81.03452	3.6
83.01414	3.8
83.05053	3.3
85.02991	3.7
89.02460	9.2
93.03475	2.5
96.96016	5.0
97.02972	5.8
99.04559	4.4
101.02464	9.2
107.05023	2.7
108.30565	2.6
109.02974	3.1
113.02432	2.5
119.03497	3.2
121.06590	4.7
123.08198	3.5
125.02457	5.9
125.06120	10.0
133.06598	2.8
135.04514	3.7
135.08160	3.9
136.05309	10.8
137.02406	3.6
139.07680	5.8
144.72446	2.4
145.02931	2.8
147.11792	2.6
151.04118	3.5
151.07661	64.9
151.11293	7.0
158.07375	2.3
161.06038	3.2
168.07954	16.6
169.08749	7.5
171.08162	5.7
171.11813	5.9
173.09766	5.1
175.11324	4.1
179.07208	7.4
184.08934	16.1
187.11288	15.4
189.12907	13.9
199.11296	12.4
201.09219	9.6
201.12848	4.2
202.10043	4.4
205.12352	33.6
215.10634	4.8
217.12338	69.6
218.12555	6.1
219.13948	7.8
235.13397	18.9
243.10355	4.1
245.11885	8.1
249.11502	3.1
261.11368	10.5
263.12842	13.9
273.59924	2.6
279.12411	100.0
280.12781	9.5
285.11304	2.7
401.82413	2.7
425.18243	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96981	1.6
57.03455	4.1
58.00579	2.4
59.01383	100.0
71.01387	61.3
71.03018	1.7
72.99308	6.2
73.02954	4.0
83.01366	4.2
85.02964	19.1
87.00872	3.4
89.02449	72.7
95.01401	5.6
100.85062	1.9
101.02457	42.2
113.02470	30.4
119.03507	37.2
125.02473	3.7
131.03500	5.4
137.20166	1.8
143.03514	6.5
149.04497	2.5
155.30446	1.8
161.04573	9.2
179.05609	12.1
189.12917	2.2
201.12808	5.8
219.13933	7.5
241.04884	1.9
245.11765	6.1
263.12909	13.8
303.75638	1.7
381.19171	28.6
382.19321	2.6
425.09320	2.5
425.18219	35.0
426.18335	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.182
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
50.40976	0.8
50.65133	0.6
52.43300	0.9
59.01389	4.2
63.81560	0.7
71.01367	3.0
71.53281	0.7
72.99323	0.7
73.02919	2.6
79.05535	0.8
79.95748	4.3
85.02963	2.4
96.96011	1.6
99.04527	14.1
101.02435	2.1
110.97601	0.8
113.02458	2.7
113.23961	0.8
135.76221	0.8
201.12854	2.7
207.29074	0.8
219.13924	20.1
220.14252	2.3
243.06355	0.9
245.11839	6.5
246.11868	0.9
257.91928	0.9
263.12903	100.0
264.13226	7.8
277.14471	1.3
305.13925	7.8
354.20224	0.7
396.07419	0.9
425.12592	3.8
425.18225	4.6
425.23276	1.6
426.12897	0.9
432.39999	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.8
59.01381	73.0
69.03436	11.2
69.43955	9.5
69.44373	22.0
71.01382	96.9
72.99290	5.6
73.02950	15.1
78.95931	5.3
81.03416	4.6
83.01385	14.2
85.02951	20.1
86.85799	4.3
89.02451	71.2
97.02961	14.3
99.00884	5.8
101.02427	35.8
109.02959	23.2
113.02446	22.8
119.03492	4.7
120.99670	5.9
121.02963	5.2
123.04538	14.4
125.02451	65.1
131.03514	22.2
133.02972	10.4
135.04543	7.3
137.02452	62.9
149.02484	7.5
149.04575	24.1
151.04062	30.9
159.04568	5.0
161.02490	12.6
161.04588	30.5
161.05835	5.8
163.04027	10.8
175.04002	28.1
177.01982	12.7
184.76474	4.3
187.04028	18.0
191.05618	8.6
215.03468	5.2
229.05086	7.5
233.06732	7.2
243.03203	4.6
255.02963	24.5
256.03690	9.5
257.04471	6.5
273.04050	16.4
293.08902	27.9
318.31165	5.0
339.08795	13.8
381.09525	8.1
407.07745	100.0
408.08203	8.9
425.08847	8.7
425.19067	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54453	2.0
54.94191	1.8
57.03451	3.3
59.01369	8.4
60.73275	2.1
61.36981	2.3
67.01907	2.3
68.97398	9.3
68.97827	10.3
69.03452	2.4
71.01379	9.5
78.95927	2.3
80.91669	5.2
83.01386	8.0
89.02455	6.5
93.03443	3.5
97.02964	3.7
98.21797	4.7
101.02461	4.2
107.05077	3.3
108.02200	3.1
109.02959	24.0
113.02438	2.8
117.32349	2.2
119.04934	2.3
121.02957	3.7
122.03736	3.1
123.04533	16.2
125.02456	30.3
131.05040	2.7
133.02959	6.4
137.02455	27.8
145.02963	2.6
149.02423	7.5
150.03191	2.2
151.04004	28.2
157.15775	2.1
159.04562	3.2
161.02454	7.3
161.04521	3.0
161.06090	4.2
163.04036	8.2
175.04024	24.4
176.04292	2.4
177.01970	15.6
181.08701	14.3
187.04034	14.4
189.01999	2.6
189.05620	2.9
193.05034	2.3
205.05106	5.0
205.07774	2.1
211.03961	4.1
213.05478	3.6
215.03439	5.5
217.04970	4.0
227.03471	4.3
228.04250	3.0
229.04996	12.7
243.03078	3.5
245.12035	2.4
250.96356	2.1
253.05087	3.2
255.03044	17.8
256.03632	9.6
257.04462	6.1
263.12897	3.3
273.04120	14.3
274.04434	2.4
281.04474	7.5
283.02457	3.9
285.04291	4.0
287.05258	3.0
297.04025	3.3
297.07635	2.8
299.05457	2.6
302.85400	2.6
339.08752	19.6
365.61127	2.2
381.09781	5.8
407.07718	100.0
408.07959	10.5
425.08765	8.8
425.19046	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.8
59.01384	59.6
61.98833	4.0
65.03976	2.1
67.01916	1.5
69.03439	1.1
71.01388	12.2
71.29883	0.8
73.02949	3.3
75.00887	1.8
81.03452	1.2
83.01390	9.6
85.02959	5.1
89.02461	3.1
89.03975	1.8
91.01913	0.9
93.03484	2.0
93.71652	0.9
95.01417	1.4
95.05022	1.0
96.96021	5.0
97.02956	2.6
98.02015	0.9
99.00906	1.2
100.00404	1.8
101.02443	9.2
105.03516	1.0
107.05042	5.8
108.02183	2.7
109.02957	21.2
109.03717	1.3
109.99777	0.9
113.02467	5.8
115.05635	0.9
119.05019	1.9
121.02956	2.9
121.06639	1.1
122.03769	0.9
123.04529	15.4
123.05396	1.1
125.02456	23.9
126.02788	1.5
131.05064	2.3
133.02977	4.2
135.00926	1.1
135.04572	1.5
136.01657	1.0
137.02461	27.6
139.03998	1.1
143.03546	1.0
143.05017	1.1
143.94763	1.0
144.03024	3.5
145.02977	1.2
147.04550	1.9
149.02501	5.8
150.03227	1.2
151.04021	26.2
159.03157	1.1
159.04533	3.5
161.02507	7.1
161.04582	13.3
161.06075	2.8
163.04076	7.2
165.01953	1.2
165.05612	1.0
174.03206	1.1
175.04008	27.2
176.04361	1.2
177.01949	12.4
177.05537	1.3
178.48738	0.9
183.04550	1.0
185.02388	1.1
185.06142	1.4
187.04024	18.4
188.04698	2.9
189.01990	1.5
189.05586	2.9
193.05051	2.5
197.04651	1.2
199.04065	1.8
201.05611	1.7
203.03519	2.6
203.07193	1.2
203.12843	2.4
205.05042	5.3
209.79117	0.9
211.04074	3.3
212.04565	1.3
213.05614	3.7
214.02864	1.8
215.03537	3.7
217.05103	3.9
219.03084	1.2
225.05293	0.9
227.03539	3.9
228.04268	2.4
229.05032	9.5
230.05676	2.1
231.02995	1.7
231.06670	1.2
243.03033	6.3
245.04596	1.0
247.06100	2.1
253.05055	1.4
255.02974	19.3
256.03748	10.7
257.04532	3.8
269.04434	1.5
273.04053	13.5
274.04489	1.3
281.04581	9.5
282.01859	1.3
283.02591	5.0
285.03922	4.7
287.05630	1.8
288.02789	1.7
297.04172	2.4
297.07751	2.6
298.04724	1.2
299.05627	3.1
315.08725	1.3
339.08737	14.8
340.09055	1.2
341.06729	1.1
357.09811	2.2
365.18195	15.3
366.18765	1.2
381.09753	4.1
389.06934	1.5
407.07730	100.0
408.08011	11.4
425.08923	7.7
425.20059	1.1
426.09482	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.9
59.01377	5.9
69.03438	2.0
69.41373	4.3
70.27371	0.8
73.02914	1.1
78.80945	0.8
79.89275	0.9
83.05029	2.0
85.10217	0.8
97.06596	8.8
99.04527	42.5
109.06596	2.1
111.08168	55.0
112.08510	1.5
138.06886	4.3
139.07631	0.9
156.89142	0.8
180.73242	0.9
181.12347	2.3
203.76381	0.9
257.19128	2.3
269.19122	11.4
270.19461	2.1
323.23843	2.8
338.22549	1.2
367.22849	9.9
368.23297	1.5
381.28024	51.3
382.28455	6.9
407.25943	3.4
425.27039	100.0
426.21841	1.4
426.27316	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79116	0.5
59.01376	1.2
62.51989	0.6
69.08845	2.0
69.09268	2.3
88.70187	0.6
97.22138	0.6
110.97527	0.6
113.55991	0.6
188.79268	0.6
198.29265	0.7
228.67516	0.6
351.23291	0.9
354.00690	0.7
381.28030	1.2
407.26205	0.7
425.26990	100.0
426.27347	13.8
431.42950	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56108	0.3
64.42766	0.4
64.59647	0.4
70.59211	0.9
125.97928	0.4
175.35243	0.3
180.49928	0.3
238.21112	0.3
351.23334	0.4
381.28079	1.5
407.25928	0.7
425.26990	100.0
426.27328	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11911	1.0
55.01881	8.7
57.03453	2.4
85.06593	8.5
99.00890	30.4
152.22586	1.1
154.42574	1.1
171.14925	1.3
197.19238	2.3
212.32584	1.2
225.18689	2.2
277.21860	1.3
277.57175	1.2
279.27005	1.4
283.26340	2.7
286.10745	1.5
381.30139	100.0
382.30609	11.9
425.29147	24.2
426.29007	4.2
431.30154	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98846	0.7
55.01869	3.4
57.03441	2.5
58.00574	3.3
59.01381	71.9
60.01705	1.0
69.03460	5.0
69.33024	1.5
69.33431	4.5
71.01385	100.0
72.02536	0.8
72.99312	3.1
73.02950	13.2
79.01896	1.0
81.03455	2.5
81.46423	0.8
83.01385	6.3
85.02956	18.9
87.00884	1.6
89.02449	76.8
90.02768	1.0
94.50161	0.9
95.01396	4.7
97.02952	8.6
99.00886	6.5
100.83998	0.8
101.02451	32.7
113.02460	25.3
119.03502	1.8
125.02453	32.6
131.03531	15.1
143.03505	8.5
149.04572	15.5
159.02974	3.8
161.04567	59.8
162.04820	1.5
175.03940	1.0
188.05655	7.5
191.05569	1.2
233.06755	4.4
249.13341	2.7
252.52524	1.0
293.08829	14.7
294.09360	2.0
383.28622	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	4.9
58.00587	4.7
59.01382	67.0
69.62952	6.4
69.63361	4.3
71.01384	100.0
72.99288	3.3
73.02956	20.0
83.01406	12.9
85.02946	22.3
87.00847	6.4
89.02451	87.2
93.03416	2.2
95.01385	3.3
96.96037	2.0
97.02961	5.5
98.21859	2.8
99.00380	2.3
99.00890	25.3
101.02453	32.4
104.34260	1.8
109.02964	10.3
110.03303	4.6
113.02461	28.1
119.04987	3.1
121.02934	3.9
123.04520	5.4
124.04890	2.2
125.02442	19.5
126.02791	7.8
129.54912	1.9
131.03772	48.6
132.04037	2.2
134.03314	2.1
135.04578	3.3
137.02457	31.0
138.02771	12.5
143.03494	6.7
147.04536	3.8
149.02432	2.1
149.04546	5.9
151.04008	10.4
152.04305	4.1
159.02995	6.3
159.04387	2.8
160.04901	2.4
161.02431	3.9
161.04579	88.4
161.06021	8.1
162.02798	2.5
162.04865	2.8
163.04022	4.7
164.04292	3.2
175.04016	21.4
176.04382	7.1
177.01944	5.2
178.02242	2.6
187.03992	5.0
188.04294	4.9
188.05753	19.7
189.05615	7.4
191.05573	4.8
193.05077	3.9
201.05640	3.1
212.04245	2.2
227.03407	2.7
228.03995	2.2
229.04987	3.7
230.05283	3.4
231.06439	6.3
244.97583	2.0
249.07782	11.6
249.13429	2.8
255.02985	4.8
256.03442	9.8
257.04092	5.8
273.03909	4.1
274.04282	9.7
282.04761	4.9
284.02997	2.9
285.04144	2.4
286.04285	2.5
293.08902	3.0
294.09601	4.0
299.05478	2.6
340.08917	8.5
382.10178	4.2
408.08084	58.2
409.08304	6.3
426.09036	6.4
426.14005	69.3
427.14221	5.6
427.19836	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.7
61.98817	3.1
71.01093	0.7
71.01393	7.3
78.95894	1.7
83.01347	0.9
85.02940	2.2
87.00867	2.0
88.68526	0.9
89.02442	3.6
96.96012	3.1
96.96953	2.3
99.00875	2.2
99.92592	79.2
100.92588	6.4
100.93365	5.2
101.02452	1.3
102.88520	0.8
109.02987	0.9
112.19842	0.8
113.02447	2.8
115.92085	77.7
116.92193	5.4
116.92868	100.0
117.92924	5.7
117.93679	1.5
119.03523	1.4
119.05012	1.4
123.04542	2.2
125.02519	1.6
126.94939	1.3
134.32919	0.8
135.04492	1.1
141.93613	1.1
142.94402	2.0
147.04491	1.4
158.90976	1.2
161.04495	1.7
163.04030	2.1
165.05557	1.1
168.95985	1.0
170.93950	1.4
182.09828	0.8
184.95470	2.0
196.95450	1.0
202.98065	1.7
209.02924	0.9
212.94879	1.1
219.98329	8.8
221.08212	1.0
232.03867	1.1
242.95995	3.2
244.97552	6.1
245.96220	1.1
246.96980	7.1
247.06058	2.9
247.97754	4.0
248.98627	12.2
249.98726	1.3
259.96390	1.6
262.98611	1.5
263.97314	4.4
265.14435	3.0
276.98053	1.0
365.03510	2.1
367.06192	1.2
391.01306	14.4
392.01251	2.3
427.03302	28.9
427.19708	3.4
427.98297	1.0
428.03198	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.8
59.08274	1.4
61.98821	1.9
64.76172	1.5
68.84728	1.4
72.68661	1.5
78.95914	58.4
96.96971	95.0
101.02447	2.0
108.02192	30.0
123.04542	19.7
125.02477	3.6
137.02423	2.1
150.36891	1.7
152.01163	34.9
167.03513	100.0
168.03876	4.9
175.04010	2.0
202.08340	1.6
265.12949	1.8
329.08868	5.2
349.04321	2.1
367.04947	1.8
382.93948	1.5
399.03699	2.7
409.08289	8.5
427.07150	2.0
436.96133	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	9.9
59.01383	64.9
61.98842	5.7
69.03461	3.6
69.36613	12.8
71.01387	56.8
73.02946	11.9
81.03463	7.5
83.01387	7.8
85.02966	13.2
87.25725	3.5
89.02460	40.8
93.03473	5.9
95.05006	6.5
96.95990	3.9
97.02962	9.3
99.00871	5.4
99.04531	8.8
101.02436	31.9
113.02472	22.9
119.03527	14.1
122.03763	6.4
124.78089	3.3
125.02466	31.8
127.59589	3.7
133.06679	4.5
137.02457	27.3
139.04062	6.8
148.90971	5.5
149.02405	7.9
151.07654	5.7
159.04579	5.6
161.04593	12.5
161.06013	5.8
165.01955	40.3
167.03529	17.8
171.04562	9.6
173.02510	6.4
187.03989	27.9
188.04768	7.9
189.05568	41.9
191.03508	46.1
199.04051	5.4
203.03619	3.9
206.09613	10.0
211.03928	4.3
215.03453	26.7
216.34286	3.6
217.05089	100.0
218.05466	3.7
225.05476	4.6
229.14680	5.7
243.03003	5.6
247.13417	11.9
257.04379	8.7
265.14456	39.8
279.06641	7.0
280.95221	21.6
321.07983	5.6
330.40121	4.1
347.05447	4.2
355.78198	3.6
365.06750	13.2
383.07785	13.8
414.16309	3.9
427.12924	8.2
427.19745	99.1
428.20242	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.1
59.01382	10.6
71.01387	8.5
71.29659	0.9
73.02935	2.0
74.61156	0.5
79.95740	1.5
80.96529	1.2
81.29714	0.5
82.96931	0.5
85.02950	3.8
89.02449	5.3
95.95254	0.6
96.96020	14.4
99.00912	0.6
101.02465	5.1
108.02183	30.0
108.71742	0.5
113.02463	3.5
119.03484	2.8
122.97588	3.0
123.04535	13.2
135.08151	0.8
143.03485	0.6
151.07574	1.3
152.01164	65.2
153.01511	2.6
161.04541	1.1
161.09828	0.6
164.04840	0.8
167.03505	100.0
168.03847	4.7
179.05646	1.0
179.07118	0.7
181.12280	0.8
202.48163	0.6
203.14383	2.4
204.11601	0.8
219.13930	1.2
221.15465	0.7
229.12320	0.9
247.09560	6.4
247.13359	7.0
247.15773	0.9
259.02829	7.9
263.12857	2.7
265.14417	7.4
367.13724	0.7
427.07083	6.6
427.14154	1.0
427.19958	12.5
428.07523	0.8
428.20093	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.7
59.01383	77.2
70.62513	3.6
70.62845	3.0
71.01394	25.6
73.02959	10.2
76.15649	1.8
83.01380	6.1
85.02959	16.1
89.02514	2.9
95.78971	1.8
99.00884	4.9
101.02451	34.0
113.02468	10.8
131.03516	41.3
159.02966	2.2
161.04564	9.7
235.11887	100.0
236.12256	5.3
265.07260	2.6
367.16135	23.7
411.90106	2.0
433.56363	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12894	4.8
59.01378	64.7
60.45488	4.6
60.79752	5.7
61.98842	11.2
69.30520	13.9
69.30931	23.9
71.01380	25.8
73.02939	9.8
83.01392	12.9
84.83765	5.2
85.02962	21.6
101.02465	44.3
108.83588	5.5
113.02425	11.3
125.02459	17.9
151.03894	6.9
161.04556	13.5
221.10321	92.0
231.73203	5.0
264.97946	6.1
265.07080	6.5
297.09082	5.3
308.39658	5.9
358.41220	4.9
367.16086	100.0
368.16354	7.2
409.08447	16.9
427.06161	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1869
Annotation	CHEBI:67520
Peak:m/z	Relative Intensity
57.03435	3.6
59.01381	9.9
71.01364	2.4
71.28786	2.5
72.00892	3.5
72.04561	1.4
74.02486	25.9
83.05039	6.9
87.00860	3.8
89.02438	2.6
92.88371	1.3
95.00456	1.1
100.12109	1.2
101.02422	1.7
107.31531	1.4
108.88242	1.3
110.06132	2.2
113.02473	1.9
116.05078	32.5
122.51422	1.5
130.06609	4.0
133.10260	3.5
135.08209	1.9
136.07668	1.5
137.09721	2.5
142.06644	9.1
157.07687	9.5
159.09268	8.9
161.09702	5.2
183.05560	2.5
186.05641	1.9
203.08273	66.0
203.14354	5.7
204.08615	3.7
205.08716	1.4
210.11357	1.6
219.13857	2.9
220.22758	1.4
221.15503	36.0
222.15782	3.0
223.09750	11.6
236.12929	3.7
238.10860	5.7
247.13283	3.0
255.85231	1.4
264.13205	2.1
265.14517	21.9
266.14746	1.5
285.12375	2.4
319.58231	1.4
321.19531	1.4
323.17673	3.6
336.79147	1.5
339.17090	7.0
365.18704	15.7
366.18890	1.7
367.16644	39.9
368.16980	4.6
409.17761	8.0
410.18188	1.7
427.18744	100.0
428.19168	13.5
439.72351	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1976
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
58.00587	1.5
59.01382	31.3
64.39062	1.2
71.01389	21.1
71.81934	1.2
73.02943	10.2
83.01414	1.3
85.02977	3.1
85.97717	1.4
87.82972	1.2
89.02464	19.9
95.01388	1.5
98.22289	7.8
101.02475	7.4
113.02454	10.8
119.03496	5.9
120.33424	1.3
143.03520	1.5
161.04564	2.6
178.23347	1.4
179.05582	4.7
203.14407	26.1
204.14789	2.4
221.15482	82.6
222.15836	5.7
224.66681	1.4
231.06256	1.4
235.16991	2.3
247.13387	71.8
248.13768	4.6
265.14462	100.0
266.14694	7.7
279.16003	2.7
307.15494	17.9
337.16354	1.6
367.17603	2.0
426.56238	1.7
427.19617	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1975
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
59.01383	38.7
68.52239	1.0
70.76228	1.0
71.01385	26.4
72.99302	1.7
73.02937	2.7
79.95734	4.2
81.95333	5.9
83.01403	2.8
85.02958	5.8
89.02451	22.8
90.28166	1.1
95.01402	1.9
96.96026	2.1
97.94846	1.6
98.95592	2.3
101.02445	13.9
113.02461	10.1
116.41409	1.1
119.03500	7.3
121.08369	1.1
123.84436	1.4
126.80647	1.1
135.08134	3.2
141.50230	1.2
143.03491	2.5
150.24506	1.1
161.04527	3.4
179.05637	5.7
185.13400	2.7
191.10838	1.5
203.14410	54.6
204.14752	5.7
219.14026	1.0
221.15479	100.0
222.15791	6.1
247.13393	31.0
247.15256	0.6
248.13719	3.4
261.14954	1.8
263.12912	1.2
265.14456	94.6
266.14746	8.2
307.15521	18.0
308.15720	1.7
367.17184	2.7
427.12936	7.3
427.19653	18.8
428.19910	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1974
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
55.01883	2.7
57.03439	1.8
58.00589	1.1
59.01384	27.3
65.43064	0.5
67.43275	0.5
69.09660	3.9
71.01389	21.0
72.99316	2.3
73.02950	4.3
75.00862	0.5
83.01393	4.3
85.02956	9.2
86.00114	0.6
87.00887	1.1
88.84978	0.4
89.02450	11.4
89.02973	0.9
90.32073	0.4
90.77326	0.4
95.01416	2.2
96.96027	2.0
97.02954	0.8
99.00886	1.5
101.02449	15.6
111.00919	0.6
113.02454	8.1
119.03512	6.2
123.04539	0.5
125.02461	1.5
132.56482	0.4
143.03401	0.5
148.90962	0.8
159.02989	0.4
161.04630	2.1
165.01936	0.6
167.03503	0.9
179.05609	0.8
187.04027	1.0
188.04778	1.2
189.05498	0.7
191.03447	1.0
203.07184	3.6
215.03575	0.5
217.05034	1.1
229.90007	0.5
232.03802	2.4
232.05788	0.4
247.06305	3.0
247.13412	14.1
248.13622	0.8
265.14468	50.2
266.14838	3.6
280.95169	2.5
367.13730	0.7
383.07376	0.7
427.19742	100.0
428.20090	12.8
445.20709	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1975
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
53.15173	1.3
55.01877	4.9
57.03446	3.3
58.00593	7.0
59.01382	100.0
60.01707	1.5
69.03419	1.7
69.33511	8.4
71.01387	48.5
72.99308	4.6
73.02944	14.2
75.00867	3.8
83.01388	9.4
83.05042	2.2
85.02952	15.6
87.00835	2.3
89.02451	40.6
95.01382	3.6
96.96003	9.3
97.02951	4.5
98.10287	1.2
98.21852	2.7
99.00879	9.6
100.83409	1.3
101.02448	46.6
109.02945	5.1
113.02454	16.6
119.03506	22.6
125.02479	1.8
140.61981	1.2
143.03505	2.2
143.51776	1.4
161.04514	4.0
171.12970	1.3
173.13585	1.2
185.06073	2.6
185.13399	3.7
191.14386	3.5
201.12929	1.6
203.14441	22.5
205.08740	1.4
215.14320	1.6
219.13911	4.1
221.15497	2.7
229.05038	11.3
230.05481	1.4
235.13327	1.5
247.13354	7.4
249.14990	2.7
265.14423	19.6
271.06052	1.4
278.02835	1.4
281.17505	6.5
305.17633	8.2
307.15546	15.6
310.82129	1.3
427.19702	60.4
428.20236	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1977
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
51.07821	2.3
57.14980	2.6
59.01397	14.2
59.01641	2.2
69.08858	9.9
69.09277	12.3
71.01387	8.4
82.27274	2.1
85.02938	2.8
89.02471	7.3
96.96015	2.6
97.12698	2.1
101.02427	3.7
103.35107	2.4
109.02947	4.7
110.46238	2.2
113.02499	5.5
119.03465	3.4
119.37730	2.5
126.89310	2.5
135.04767	2.5
203.14429	30.3
221.15489	100.0
222.15735	5.0
247.13467	16.7
265.14471	93.4
266.14828	5.3
307.15524	4.7
330.42957	2.4
383.18741	3.0
427.18988	10.8
428.18369	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1977
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
54.66824	2.2
57.03440	5.3
58.00604	4.1
59.01387	73.3
63.47692	2.3
69.86495	8.5
71.01385	58.1
72.99316	3.4
73.02956	10.6
77.74893	1.9
83.01392	5.3
85.02966	14.5
87.00896	4.3
89.01896	2.9
89.02450	52.2
95.01382	2.4
95.05019	3.1
96.96037	5.3
99.00870	3.1
101.02460	37.6
113.02472	21.5
119.03521	17.9
121.06636	3.0
123.04556	4.7
123.08172	48.4
135.04555	2.6
135.57082	2.6
143.03485	5.0
151.61644	2.1
161.04562	6.0
165.50005	2.4
179.05664	4.8
185.13376	2.9
203.14436	24.5
212.21117	2.4
221.15474	91.5
222.15866	4.5
240.72127	2.6
247.13379	36.5
248.13780	3.2
265.14459	100.0
266.14838	9.2
279.16190	3.3
296.97507	2.3
297.13345	2.5
307.15475	10.1
328.82324	3.0
367.17947	2.5
409.18713	3.1
427.19757	54.5
428.20239	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55812	81.8
61.98803	95.7
66.07907	89.0
69.12326	86.1
77.39368	84.7
82.23509	100.0
94.49120	86.6
102.46602	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3218
Annotation	Ergosterol peroxide
Peak:m/z	Relative Intensity
51.46049	0.7
55.13344	0.8
67.49713	0.9
69.13446	2.6
69.13870	3.8
77.54518	0.7
80.08605	0.7
85.57805	0.8
100.43992	0.7
101.27370	0.8
127.11843	0.7
147.32745	0.9
167.81834	0.8
239.83727	0.9
266.36639	1.1
337.48016	0.9
409.31528	1.3
427.32181	100.0
428.32480	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.3
59.01380	100.0
62.70765	2.2
69.03449	8.6
69.05746	11.3
69.06166	11.4
71.01389	25.3
73.02957	4.1
73.54530	2.2
78.07876	2.0
79.95746	3.2
83.05038	3.8
84.00909	5.0
85.02964	10.1
89.02450	26.3
96.96022	32.3
101.02454	19.4
113.02455	12.4
116.41659	2.4
119.03497	12.1
135.11803	4.0
155.36899	2.6
161.04517	3.5
179.05592	3.1
179.10760	17.9
223.09741	43.4
237.11177	3.2
265.10867	3.8
267.16028	68.1
428.19376	7.0
429.20239	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.6
61.98836	100.0
68.05428	0.9
69.33905	6.2
71.01378	4.2
73.02936	2.2
73.18217	0.9
86.15794	1.0
89.02441	3.5
91.49599	0.9
93.71140	0.8
94.82233	1.0
101.02461	2.9
108.40789	1.1
109.02957	1.1
113.02464	2.3
115.55547	0.9
119.03461	1.4
122.03759	1.6
123.04552	2.6
125.02476	2.1
130.22786	0.9
134.03714	1.9
136.04077	1.4
137.02422	2.1
149.06126	0.9
151.04041	1.0
161.04573	1.2
193.05061	3.0
201.28995	1.0
262.52255	1.1
267.15976	1.6
429.21854	1.9
454.43945	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70475	5.5
59.01382	100.0
67.18146	7.3
69.28447	14.3
69.28852	37.1
71.01384	70.1
73.02944	13.0
73.87688	5.6
83.05021	5.8
85.02957	20.9
87.00895	9.4
89.02466	66.8
93.03481	7.7
95.49744	6.7
96.96942	6.4
98.21820	11.3
101.02438	41.3
113.02452	27.8
119.03491	30.3
143.03503	10.2
161.04605	10.0
179.05646	22.4
204.98392	6.8
222.12466	7.2
266.14691	12.6
325.17917	6.1
339.64102	6.1
403.90408	6.9
428.20111	53.8
429.21323	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
68.16980	3.6
69.22150	19.8
69.22578	15.6
71.01388	58.7
72.01727	3.6
73.02938	11.2
78.56067	3.6
83.01388	6.9
85.02963	16.0
85.03711	3.8
87.04498	7.6
89.02449	46.7
96.96014	81.2
97.02966	4.0
97.06593	4.1
101.02447	44.0
102.10635	4.2
113.02466	23.9
119.03497	16.9
123.04575	4.6
152.01152	13.1
153.01396	4.9
161.04590	9.1
167.03502	16.3
168.03883	9.7
173.55020	3.7
179.05675	4.4
205.12437	9.4
212.51198	4.7
219.23271	4.0
231.14040	6.8
249.14888	9.3
266.14838	15.2
267.12659	7.6
267.16040	27.5
428.20071	29.5
429.21320	87.9
440.51373	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13885	6.7
57.28915	6.1
58.00587	7.4
59.01381	100.0
61.98820	10.3
71.01389	66.8
71.31488	8.3
71.31902	9.4
84.35747	7.5
85.02953	12.1
89.02448	76.9
101.02456	43.4
113.02438	20.9
119.03500	38.7
121.02966	8.0
128.88451	6.2
136.35127	7.7
143.03528	7.9
152.83786	9.2
161.04539	12.8
178.59204	6.9
179.05605	22.6
195.06622	14.2
223.13347	8.7
237.82324	8.8
265.14410	10.0
267.08832	15.1
428.20038	12.6
429.21524	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
57.03443	3.1
58.00606	4.8
58.16586	1.3
59.01385	100.0
59.66703	1.3
62.67480	1.2
69.03461	2.8
69.13783	12.6
71.01388	48.7
72.01736	1.3
72.99299	4.9
73.02955	34.4
81.03481	1.5
83.01392	4.2
85.02958	23.8
86.00114	1.4
87.00892	13.5
87.04495	3.5
89.02451	37.8
89.40539	1.3
91.94859	1.3
95.01395	2.2
97.02973	2.4
99.00879	3.2
99.04556	1.5
101.02457	60.1
103.04034	24.3
109.03010	1.3
113.02461	11.8
115.04028	7.0
119.03516	19.9
119.05022	2.3
120.99683	1.7
121.03058	2.0
125.02501	3.9
127.04008	2.0
128.05879	1.4
131.03493	10.6
135.04529	4.1
137.02483	6.3
143.03520	13.2
145.05093	5.6
152.04813	5.3
161.03438	1.4
161.04590	5.7
163.06146	36.9
165.09248	3.0
168.04451	1.8
173.04645	1.7
175.11296	1.5
175.42122	1.5
179.05672	2.7
179.07121	1.7
187.11429	1.6
191.05563	2.7
191.10840	1.7
195.06567	1.3
205.07211	23.9
205.12332	3.7
211.07765	1.7
223.13553	1.6
249.14995	5.8
255.06651	2.5
265.10699	3.3
265.14120	1.6
266.11212	5.6
266.14825	1.9
267.12421	20.6
267.15997	7.1
282.58948	1.6
345.55145	1.4
428.20612	11.8
429.16373	1.9
429.21918	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	9.9
59.01381	100.0
69.03790	54.7
69.04206	23.4
69.75179	8.9
71.01387	88.8
85.02947	31.0
89.02462	96.9
98.22468	21.5
101.02457	60.0
113.02463	40.0
119.03489	45.5
123.04643	9.0
123.10439	9.9
131.03519	15.3
137.02376	8.7
142.69563	8.8
143.03531	11.3
152.08447	15.6
153.09206	48.7
161.04582	35.5
179.05611	28.4
179.07021	10.2
205.12309	18.6
215.42284	8.7
217.60275	10.2
223.13507	16.4
246.12932	8.6
267.15900	25.7
297.68082	9.5
305.05328	10.7
385.18762	40.9
400.27173	10.2
402.73560	8.9
428.19742	24.3
429.21149	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75267	5.0
51.97006	4.2
53.45729	5.1
54.37821	5.0
59.01383	83.8
61.98819	18.7
63.01669	6.3
66.68616	4.8
69.04217	52.8
71.01385	72.8
73.02942	9.9
75.82422	5.5
80.79886	4.6
85.02943	16.4
89.02449	67.6
101.02452	36.5
113.02461	18.2
119.03513	23.7
126.29591	4.8
134.03757	100.0
137.02396	6.8
143.03577	7.8
149.06091	40.7
161.02480	6.4
161.04614	12.2
166.70778	5.4
175.11314	7.6
178.02715	36.2
179.05685	27.8
193.05051	43.8
267.15796	11.0
306.46616	5.5
335.45303	4.9
429.13849	77.6
429.19794	5.3
429.21796	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15088	3.2
56.65871	2.9
57.03463	3.4
58.00594	3.2
59.01101	5.4
59.01387	100.0
61.98815	4.4
71.01389	32.9
71.31755	4.4
73.02930	6.8
85.02955	13.4
89.02454	22.8
96.96007	9.5
99.00894	4.2
99.04533	5.5
101.02422	17.5
113.02452	12.0
118.99191	2.7
119.03526	8.1
121.36670	3.3
123.08180	3.4
158.73724	2.9
161.04565	6.4
209.05998	5.0
216.04445	2.8
223.10008	2.9
267.15912	4.7
285.73270	3.1
297.13419	7.3
410.18945	7.1
428.20334	14.2
429.21378	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	90.8
69.44353	43.6
69.44775	99.6
71.01383	65.4
73.02959	32.7
80.35968	22.4
82.69437	22.8
85.02966	32.3
89.02466	30.0
98.22353	55.2
101.02449	69.3
102.43746	20.0
109.01985	21.6
113.02499	26.8
115.92125	27.1
118.95801	26.5
132.76125	26.6
151.00371	33.6
161.04584	84.2
207.26587	21.0
267.16083	100.0
292.58505	25.4
328.67841	24.8
385.22348	53.6
426.51807	20.7
429.25241	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
65.29543	8.8
69.03837	100.0
69.04238	16.3
70.12440	10.1
71.01389	11.3
72.37078	10.3
76.00699	10.2
98.21880	36.3
101.02464	25.2
189.03972	10.4
201.43040	10.2
235.23701	12.9
240.94339	11.4
313.26663	10.4
385.22125	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89419	0.9
59.01092	1.5
59.01387	27.7
59.38929	0.8
61.98833	1.2
69.17769	2.2
69.18190	5.8
79.56112	0.8
85.91024	0.8
97.61361	0.8
98.21748	1.7
101.00967	3.2
101.98602	0.9
107.92718	0.8
111.76485	0.9
114.39139	0.9
115.02547	3.5
117.00455	42.9
118.00534	1.8
126.98822	0.9
141.99977	3.3
143.00122	2.8
143.02010	1.3
143.99724	3.6
144.99942	49.8
145.99301	1.4
146.00247	2.3
148.10320	0.9
159.01503	42.5
160.01671	2.1
174.99394	1.2
184.00964	1.6
185.01222	1.5
186.00822	1.3
187.00996	20.7
188.00797	1.1
198.99487	1.2
201.02556	4.9
202.98938	1.1
217.00598	4.5
241.00491	1.2
243.02150	1.6
245.00066	3.3
259.01593	18.3
260.01813	2.8
285.01260	3.2
286.00974	4.4
287.01120	100.0
288.01141	19.5
301.02731	11.9
302.02847	1.9
341.91962	0.9
370.10376	1.0
435.59946	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0831
Annotation	3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone
Peak:m/z	Relative Intensity
58.03609	0.6
59.01136	0.7
59.01384	10.4
69.06309	6.8
71.01382	6.1
73.02956	1.1
83.01402	0.8
85.02942	2.5
89.02454	5.6
93.03475	0.9
94.64739	0.7
96.96014	5.9
98.22491	1.3
99.04501	0.7
101.02454	4.4
107.01418	1.1
113.02478	2.8
119.03485	1.9
151.00366	2.1
153.02098	0.6
158.30615	0.7
159.04565	1.2
161.04543	1.6
164.83714	0.8
183.04533	2.3
187.03972	1.2
211.04054	2.1
215.98416	0.7
223.17079	3.3
227.03516	90.2
228.03850	5.2
229.04997	1.1
249.14949	1.6
255.03006	100.0
256.03534	13.7
257.04233	1.4
267.16055	6.1
282.90088	0.9
284.03293	76.4
285.04034	52.0
285.07391	1.0
286.04416	4.1
286.13843	0.8
322.37708	0.7
327.05118	1.6
425.09470	0.8
429.08307	99.2
429.20920	18.8
430.08572	11.7
430.21524	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10793	1.1
52.91826	1.0
58.91151	1.3
61.02926	1.2
62.49122	1.1
65.03959	1.5
69.03462	2.7
71.01410	1.6
72.09084	1.1
73.02950	9.3
78.95897	4.0
81.03473	3.6
83.05032	4.7
84.81808	1.2
85.02949	2.1
87.00871	1.4
93.03464	47.6
95.01424	1.6
96.96021	1.2
99.00909	4.4
99.04510	3.2
107.48772	1.1
108.03671	1.1
109.02957	16.3
111.00954	1.5
111.04536	14.2
117.00507	1.2
119.72775	1.0
122.06228	1.3
127.02531	2.5
136.94016	5.1
137.02451	67.8
138.02814	1.7
147.03040	6.7
149.00955	34.3
149.04590	1.9
150.01166	1.4
151.02522	21.1
153.00423	1.6
155.03508	2.2
163.99599	1.5
167.01981	3.2
169.03595	4.7
173.04555	7.5
177.00449	27.6
178.00539	1.8
181.03687	1.7
191.02008	6.5
192.02484	1.1
193.03578	10.8
194.03656	1.1
195.01517	14.8
196.01753	1.3
201.04053	8.0
203.05676	3.9
205.03537	1.2
209.03085	1.7
211.00978	1.1
211.04767	1.7
213.02507	7.0
215.05646	2.7
219.01669	2.0
225.04037	5.7
227.05606	5.7
228.05798	1.6
229.03600	3.3
237.02586	10.1
241.03618	3.2
243.05130	3.8
245.06810	3.4
247.04582	1.9
253.03615	1.7
254.86176	6.1
255.03601	54.9
256.03754	6.8
269.03073	3.1
271.04709	8.4
272.87323	2.4
273.02328	2.6
273.04742	3.6
275.16299	1.1
289.05698	4.5
297.02625	1.7
307.03659	1.2
307.06631	6.5
309.04456	2.0
315.03668	6.4
333.04654	13.8
334.04791	1.5
351.05743	31.8
352.06070	4.4
369.06784	100.0
370.06973	14.1
379.78522	1.2
387.07898	15.8
388.07910	2.6
410.91104	1.6
429.08902	15.4
430.09207	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	2.5
65.03972	1.5
67.01903	1.3
69.03466	2.8
69.44562	2.9
69.44970	5.6
71.01360	1.9
71.06369	1.1
73.02945	7.1
74.99384	1.2
75.41685	1.0
78.95916	3.4
79.44989	1.1
79.71761	1.1
80.73638	1.2
81.03455	2.1
83.05025	4.6
85.02973	1.8
85.41464	1.3
85.51830	1.2
87.00886	1.7
93.03465	38.2
95.01425	1.3
96.96025	1.9
99.00932	3.0
99.04513	2.3
106.77642	1.3
107.25560	1.1
108.60542	1.2
109.02968	14.3
111.00893	1.8
111.04533	13.0
127.02534	3.6
133.01454	1.3
137.02457	61.6
138.02802	2.1
144.32909	1.1
145.07875	1.2
147.02998	6.9
149.00943	24.7
149.04654	2.4
150.01172	2.5
151.02515	18.4
152.02640	2.9
153.00406	1.5
155.03522	3.1
163.99713	1.5
167.02115	1.5
169.03577	4.7
173.04543	6.6
177.00444	26.9
178.00523	1.5
181.03648	1.5
185.06253	1.4
190.36577	1.3
191.01997	5.3
191.05705	3.2
193.03587	10.5
195.01529	13.0
196.01675	2.1
201.04155	5.9
203.05687	3.2
213.02528	4.8
215.05736	1.7
219.01442	1.3
225.04121	5.1
227.05618	7.0
229.03560	2.7
237.02602	10.1
241.03656	1.6
243.05240	2.7
245.06677	2.6
247.04602	2.6
253.03598	2.5
255.03622	51.3
256.03793	5.4
269.02966	2.0
271.04669	7.7
273.02393	3.2
273.04938	2.7
289.05725	4.0
291.03668	1.5
307.06772	5.0
315.03622	6.4
333.04803	13.7
351.05692	27.0
352.05914	3.6
369.06784	100.0
370.07028	14.3
387.07755	12.6
388.08084	1.8
429.08954	19.0
429.14548	2.2
430.09311	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
55.03587	0.2
56.43842	0.2
57.03429	0.5
58.00586	0.2
59.01384	7.2
64.92297	0.2
65.03968	5.3
67.01897	2.9
69.03455	0.2
71.01386	7.4
72.01713	0.2
72.99313	0.5
73.02953	2.2
83.01405	1.3
85.02950	2.7
87.00864	0.5
89.02448	4.0
91.01904	4.3
95.01420	0.4
96.10379	0.2
96.96018	6.6
97.02940	0.3
98.22559	0.8
99.00900	0.8
101.02448	5.6
107.40062	0.2
109.02960	37.6
110.03296	1.2
113.02468	3.4
119.03516	1.6
119.05079	0.2
124.02700	0.2
125.02456	0.5
131.03485	0.2
135.00897	19.5
136.01239	0.9
141.22545	0.2
143.03499	0.6
153.01950	100.0
154.02275	3.4
159.03023	0.4
161.04579	2.1
177.01945	0.3
179.05655	0.3
187.14795	0.2
203.14322	0.2
207.13930	0.3
215.58955	0.2
223.13438	0.3
223.17099	0.6
227.03542	1.0
229.04916	0.2
230.26718	0.2
231.06168	0.2
249.15025	1.0
252.21292	0.2
255.02989	1.3
267.16000	3.0
284.03259	1.1
285.03992	1.1
297.06100	0.5
345.56494	0.2
347.17151	0.3
369.15106	0.6
385.11346	0.2
385.22305	1.3
411.20276	0.3
429.10904	4.0
429.20746	12.3
430.10629	0.5
430.20999	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67646	14.4
59.01373	48.5
60.67258	15.2
63.17328	18.0
69.23218	96.6
71.01383	23.5
71.40972	16.7
80.54053	14.8
85.02922	16.5
89.02444	23.1
96.96050	26.4
98.22565	33.6
101.02441	23.7
188.33647	15.5
255.13519	17.0
267.15955	100.0
281.17438	20.9
298.41275	19.8
429.20947	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67646	14.4
59.01373	48.5
60.67258	15.2
63.17328	18.0
69.23218	96.6
71.01383	23.5
71.40972	16.7
80.54053	14.8
85.02922	16.5
89.02444	23.1
96.96050	26.4
98.22565	33.6
101.02441	23.7
188.33647	15.5
255.13519	17.0
267.15955	100.0
281.17438	20.9
298.41275	19.8
429.20947	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
57.03456	1.5
58.00603	4.9
59.01385	100.0
60.01720	1.5
63.69350	0.8
68.96590	7.9
69.03447	1.2
71.01389	42.7
72.99319	5.9
73.02956	42.2
73.03386	1.2
83.01402	1.9
84.66388	0.8
85.02962	18.9
86.00117	2.6
87.00889	13.7
87.04533	6.0
87.05006	0.9
89.01886	1.7
89.02452	36.2
92.48707	1.0
95.01405	1.4
97.02962	1.6
99.04563	1.1
101.02456	62.4
103.04027	27.0
104.04336	1.4
109.02987	0.9
113.02471	4.9
115.04015	8.0
119.03520	17.6
120.61235	0.8
122.07016	0.8
125.02467	3.5
127.04015	3.3
131.03511	13.5
135.04538	4.3
143.03535	19.6
145.05080	8.2
161.04546	1.6
161.08261	1.0
163.06152	42.8
179.05592	1.5
205.07191	33.1
247.76859	0.9
249.15117	1.0
256.53976	0.9
265.09323	1.4
267.12372	0.9
267.16101	2.4
345.00375	0.8
429.21918	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89154	0.7
69.74651	3.0
79.60094	0.7
87.00911	1.0
97.14757	0.7
98.21832	0.8
99.92598	5.3
100.93366	3.0
115.92085	100.0
116.92086	5.1
116.92882	6.2
132.92400	1.2
172.95430	3.9
255.23415	0.9
320.22696	0.8
355.16010	1.1
429.19443	3.3
452.66425	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.9
57.03408	1.7
58.00571	0.7
59.01380	15.9
64.38161	0.5
69.03415	1.7
69.45187	4.1
71.01391	13.5
72.99279	1.8
73.02901	2.8
79.95724	1.2
81.03451	1.0
83.01363	2.9
83.04984	1.2
85.02959	9.5
87.00851	2.9
89.02454	6.4
93.03419	2.2
95.01396	4.7
96.96017	46.5
97.02937	1.9
99.00869	1.8
99.04494	1.4
101.02451	10.5
107.01409	1.1
108.02179	41.7
109.02968	35.1
110.03269	1.2
113.02450	5.6
119.03471	3.1
121.02928	1.9
123.00897	4.3
125.02433	5.0
128.70956	0.7
133.02954	1.0
135.00914	1.4
137.02463	1.5
137.09763	1.2
149.02487	1.2
151.00388	1.0
151.04044	1.2
152.01170	24.9
153.01944	100.0
154.02301	4.6
161.04512	1.0
163.03993	1.1
165.01939	1.0
167.03526	1.3
177.01950	3.7
193.17735	0.7
195.02994	5.0
211.04175	1.0
218.05188	0.7
225.04102	1.0
227.03506	16.8
228.03806	1.5
229.05168	1.4
249.14972	3.5
255.02983	17.4
256.03729	2.6
267.16156	2.2
284.03281	12.9
285.04031	34.2
286.04300	3.8
297.06223	0.8
326.06659	2.1
327.07651	2.0
369.08557	1.3
385.08450	0.8
429.10306	28.4
429.20190	56.3
430.10587	3.4
430.20450	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Dendroside F
Peak:m/z	Relative Intensity
54.53945	1.4
55.01882	3.1
57.03453	4.0
58.00577	2.2
59.01385	61.0
65.03957	2.9
67.01877	1.8
68.99821	1.4
69.03455	3.2
70.82046	3.3
71.01388	62.6
72.99335	2.2
73.02945	13.8
83.01396	7.6
85.02959	24.1
87.00906	2.1
89.02448	36.6
89.02959	2.4
95.01410	3.7
96.96018	37.4
99.00907	5.3
101.02447	44.3
109.02959	21.7
113.02464	24.6
119.03497	15.0
125.02436	2.8
129.02026	1.5
134.06856	1.5
135.00903	12.5
136.01314	1.8
143.03522	2.2
153.01952	59.5
159.03043	4.2
161.04570	16.2
179.05682	3.7
185.11804	1.6
198.79765	1.8
223.17007	1.8
227.03560	2.9
243.09662	1.5
249.15074	5.5
249.31516	1.7
251.16614	1.6
255.03099	6.1
267.16055	9.9
284.03265	7.7
285.04172	5.9
347.17358	5.5
367.21286	2.2
369.15121	5.2
382.17056	1.7
385.22385	15.2
429.08954	5.7
429.21072	100.0
430.09424	1.9
430.21667	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Dendroside F
Peak:m/z	Relative Intensity
57.03442	1.7
59.01386	23.2
69.03467	7.3
71.01387	17.4
71.32182	1.0
71.46688	0.8
72.99295	1.2
73.02943	2.0
73.66866	0.8
83.01376	1.7
85.02955	10.3
89.02454	10.4
95.01371	1.0
96.83997	0.8
96.96033	0.9
99.00849	1.3
99.04540	1.0
101.02453	9.5
109.02959	2.8
113.02465	20.7
119.03493	5.2
135.00888	2.1
136.89415	0.9
153.01932	6.4
207.17609	0.9
249.14961	1.9
251.16570	6.6
267.16083	2.8
282.05389	1.4
309.84244	1.0
314.63773	0.9
329.52710	0.8
429.21320	100.0
430.21750	12.4
450.79263	1.1
452.00543	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Dendroside F
Peak:m/z	Relative Intensity
53.66766	0.4
55.01897	0.5
57.03453	10.3
58.00589	0.6
59.01383	100.0
60.01719	1.3
62.23946	0.4
62.90263	0.4
65.00305	0.5
69.95108	1.1
69.95463	0.7
71.01389	11.1
72.99298	0.5
73.02945	2.3
83.01402	1.3
83.19091	0.5
85.02956	3.0
87.00905	0.9
87.04546	1.5
89.02448	8.9
95.01377	0.5
96.96008	3.1
99.00895	0.7
99.04530	6.7
101.02451	7.4
105.75658	0.5
108.02182	12.7
110.87993	0.4
113.02460	3.7
113.55121	0.4
119.03510	3.8
123.04534	16.0
123.05389	0.9
124.04826	0.5
124.95336	0.5
125.02452	3.1
135.92268	0.5
139.00381	0.5
143.03494	0.7
161.04543	3.0
173.04552	0.4
179.05667	2.8
179.24252	0.4
187.13477	0.6
223.17166	0.8
249.14964	1.1
267.09244	1.2
267.16034	6.1
429.21460	7.2
430.21497	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2133
Annotation	Dendroside F
Peak:m/z	Relative Intensity
55.01875	2.7
57.03449	3.1
58.00597	1.6
59.01382	59.8
69.20179	4.7
69.20581	1.7
71.01388	37.7
72.99309	3.0
73.02952	4.3
78.52021	0.8
83.01403	4.1
84.02173	0.9
85.02962	10.7
87.00864	1.4
89.02448	30.8
92.23927	0.8
95.01402	3.1
96.96029	2.6
99.00894	2.2
101.02444	27.4
113.02457	15.5
119.03514	13.5
131.03514	1.1
135.05554	0.7
135.11794	1.7
135.32993	0.7
143.03549	1.0
149.04573	1.3
159.02972	0.9
161.04607	3.1
179.05589	1.6
191.86592	0.8
201.84692	0.8
205.15974	0.8
227.03503	12.5
249.15001	6.5
255.02968	12.1
256.03571	2.1
267.16040	0.9
284.03241	10.7
285.04053	7.8
385.22177	1.9
429.08517	14.1
429.21298	100.0
430.08594	2.7
430.21661	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Dendroside F
Peak:m/z	Relative Intensity
51.40693	0.7
55.01863	1.3
57.03445	1.0
58.00574	0.8
59.01104	1.3
59.01383	22.4
60.82985	0.6
66.57219	0.7
71.01385	15.3
72.99308	1.2
73.02961	4.5
83.01382	2.7
85.02953	6.8
85.60089	0.8
87.00890	1.5
89.02450	8.9
95.01434	0.9
96.95999	1.4
99.00896	0.9
101.02452	11.3
106.94560	0.7
113.02449	6.8
119.03513	4.3
161.03397	0.7
161.04594	2.8
179.10841	1.3
205.12364	0.9
223.16902	1.2
227.03482	5.4
249.15015	8.5
255.03032	7.5
267.16025	13.7
284.03287	5.9
285.04025	4.5
336.34164	0.7
385.22144	1.0
429.08765	7.9
429.21292	100.0
430.08566	1.5
430.21631	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Dendroside F
Peak:m/z	Relative Intensity
55.01874	0.7
57.03463	1.5
59.01382	100.0
59.96973	0.7
69.00171	5.7
71.01384	15.9
72.99313	0.9
73.02966	2.2
83.01395	1.3
85.02958	4.2
87.04520	1.2
89.02449	18.2
95.01381	1.2
96.96021	6.5
97.02992	0.8
97.43581	0.7
101.02447	9.7
101.70866	0.7
113.02453	6.6
119.03505	6.7
125.02457	0.9
130.10069	0.8
134.04123	0.8
137.09764	2.0
138.51733	0.7
142.14262	0.6
143.03535	1.7
150.54457	0.7
161.04622	2.6
171.87291	0.7
179.05624	3.5
199.90231	0.6
249.15068	2.0
267.16077	7.8
268.16669	0.7
429.21057	13.3
430.20865	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2135
Annotation	Celerioside A
Peak:m/z	Relative Intensity
59.01373	1.4
59.98424	0.3
65.10413	0.3
69.93551	1.3
71.01392	0.6
75.73322	0.3
93.79063	0.3
101.02498	0.5
105.11065	0.4
120.51453	0.3
162.84935	0.4
223.17018	1.1
249.14983	4.4
250.15036	0.4
267.16031	100.0
268.16360	8.1
268.19061	0.6
281.17596	2.7
309.17056	1.3
429.21350	3.0
430.21622	0.5
432.95840	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
68.00098	2.0
71.31190	2.4
77.36021	2.3
90.18241	1.7
91.04018	2.3
100.45146	1.9
104.80722	2.0
110.13148	2.5
198.03935	1.7
243.06709	2.1
278.19135	2.1
291.92053	2.0
292.32129	2.0
295.22897	12.5
429.30417	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51192	0.5
69.06881	1.6
69.07295	2.5
90.60447	0.6
96.95983	0.9
102.83305	0.5
107.51280	0.5
216.35454	0.5
309.17334	0.8
310.65451	0.5
315.23264	0.8
357.27994	1.8
384.81250	0.6
385.30994	1.0
429.30103	100.0
430.30432	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38677	0.4
51.63216	0.4
57.43579	0.4
57.98574	0.4
59.01368	0.5
70.42690	0.9
70.43036	0.7
74.05921	0.4
79.21124	0.4
99.92583	1.0
164.59174	0.5
196.28030	0.4
305.78339	0.5
309.65558	0.4
369.27927	0.7
385.31271	1.6
411.29108	5.6
412.29437	0.6
429.30109	100.0
430.30457	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3012
Annotation	Homaxisterol B1
Peak:m/z	Relative Intensity
60.25718	0.6
63.10194	0.6
71.21600	1.2
74.81753	0.7
81.06306	0.6
98.21815	0.6
123.90244	0.6
295.79468	0.6
411.29083	1.9
429.30121	100.0
430.30487	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.7
59.01384	18.9
61.69646	1.9
61.98833	100.0
71.01383	8.5
72.99285	2.5
73.02953	2.8
83.01408	2.9
85.02964	6.2
88.98828	2.5
89.02450	6.3
93.03461	4.9
101.02449	7.6
113.02464	4.7
119.03503	1.9
122.70324	2.1
125.02445	10.2
131.03485	3.7
132.03854	3.1
137.02461	5.6
151.04031	2.1
161.04515	3.6
172.01480	2.0
173.04553	4.3
191.05582	4.4
200.93535	1.8
204.71751	1.9
235.11888	2.4
237.12344	4.8
238.12593	4.4
289.07242	2.8
317.45767	2.1
407.07773	1.8
430.13559	2.2
431.15378	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78172	2.2
57.03466	2.9
57.84540	1.9
58.00583	3.8
59.01384	100.0
61.93770	2.0
65.10534	2.1
69.20640	5.0
69.21050	12.0
70.10155	1.9
71.01385	42.2
72.01714	2.6
72.99310	2.3
73.02955	7.2
78.25593	2.3
78.79612	2.2
83.01402	6.2
85.02974	15.1
87.00865	4.0
89.02456	40.1
93.03430	2.9
98.21837	5.1
99.00916	2.5
101.02452	28.2
102.02796	2.8
111.24357	2.0
113.02452	19.3
119.03501	11.3
119.60046	2.3
122.10758	2.6
142.91881	2.1
143.03528	3.8
159.03065	2.7
161.04553	10.1
173.04558	2.6
179.05591	7.2
191.05688	10.5
192.05899	2.7
199.81606	2.4
207.13922	7.2
209.11841	26.0
251.12624	2.7
251.16461	3.8
257.08170	4.1
267.16034	3.1
268.16330	7.7
269.17584	5.0
374.14426	2.6
430.21649	15.4
431.18597	12.3
431.22861	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.1
57.78737	3.0
58.89440	3.2
59.01381	100.0
64.01240	3.2
64.11533	3.5
69.44775	6.1
69.45181	16.5
71.01388	85.4
72.01676	4.4
72.99314	3.0
73.02934	15.1
73.80320	3.8
77.32741	2.9
83.01402	8.8
83.71278	3.5
85.02948	25.9
87.00874	5.8
89.02454	66.6
93.03465	6.8
95.01412	6.3
98.21846	4.2
99.00942	3.8
101.02456	47.8
113.02459	33.2
119.03498	25.6
124.01686	5.3
125.02465	15.7
130.33389	3.1
131.03510	4.4
137.02449	10.8
138.06866	3.3
143.03468	8.4
149.04576	5.2
149.99583	6.0
159.03075	5.0
161.04552	23.0
168.00673	12.9
179.05644	11.3
191.05656	3.5
269.17569	12.6
387.15555	6.8
387.20264	90.5
388.20615	9.0
430.21689	15.9
431.11990	25.1
431.23416	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07239	4.2
56.73028	4.2
56.84470	4.1
57.42476	4.8
59.01380	100.0
60.85041	5.1
68.31040	4.5
69.06169	4.3
71.01386	95.4
71.31565	9.9
71.84064	5.1
72.99332	5.2
73.02945	17.3
83.01413	8.6
85.02951	23.5
87.00889	5.7
88.44955	4.7
89.02457	83.2
93.03481	13.9
99.00924	6.0
101.02436	51.2
108.50517	5.5
113.02457	34.7
117.46854	4.7
119.03509	43.2
120.32558	4.8
125.02447	19.2
135.47189	4.5
137.02483	26.0
143.03552	12.7
149.02486	5.4
149.87672	4.7
151.04039	4.6
161.02496	7.5
161.04544	31.3
179.05609	25.4
197.94719	4.7
213.09146	4.9
225.14934	14.3
249.34618	4.7
258.21481	5.0
268.49109	4.7
269.17529	6.2
383.14859	6.3
387.20309	42.6
430.14597	7.8
431.22894	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31809	3.5
55.01873	4.6
58.00591	4.3
59.01384	100.0
59.62290	3.0
65.48832	3.4
71.01388	79.4
71.31803	5.1
72.99315	7.8
73.02949	8.8
75.46684	3.8
83.01409	3.5
85.02957	18.7
86.68948	2.9
87.00902	3.9
87.38007	3.6
89.02455	75.3
93.87164	3.3
95.01418	4.9
97.02949	4.0
101.02452	50.8
113.02465	37.9
115.26380	2.7
119.03506	32.4
125.02422	8.0
143.03491	7.3
146.30215	3.4
151.04002	3.8
151.39368	3.1
159.03043	3.2
161.04585	16.4
176.71893	3.4
179.05634	11.7
215.02963	3.0
233.27516	2.9
253.88872	3.3
269.17599	5.0
308.99039	3.4
387.20175	16.9
415.27023	3.5
430.21756	7.9
431.22800	10.2
452.83774	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68309	15.8
57.03436	22.4
59.01381	100.0
59.31030	15.5
60.58327	15.9
66.92157	18.0
70.37695	52.6
71.01376	77.4
73.02924	16.8
85.02943	44.1
89.02454	48.4
93.05098	15.1
107.33551	15.0
113.02424	32.3
119.03536	17.9
125.02455	76.5
138.06866	17.5
151.03955	38.4
153.09195	43.0
161.02414	19.9
161.04533	34.7
216.95326	16.5
225.14975	68.0
237.00716	18.8
387.20160	27.5
390.13199	17.5
431.19296	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.8
59.01385	14.9
69.32435	6.1
71.01389	3.8
79.09106	0.8
83.01378	1.0
89.02446	3.6
91.48592	0.7
97.76046	0.8
100.64066	0.7
101.02451	3.2
107.01410	1.0
113.02440	1.2
113.03876	0.6
119.03490	1.7
125.02429	2.2
151.00403	2.3
159.04613	1.0
172.34581	0.8
183.04549	0.9
185.06104	0.8
187.03888	1.0
205.05219	0.8
211.04031	2.1
213.05472	0.9
227.03528	61.9
228.03847	4.9
229.05022	2.5
241.05026	0.9
251.16512	1.0
255.03012	82.0
256.03580	13.1
257.04163	2.4
259.06158	2.6
269.04608	1.5
269.17633	1.1
284.03287	58.2
285.04037	41.0
286.04434	4.6
287.05426	2.5
327.04910	1.0
357.13354	1.3
431.09836	100.0
431.22513	13.1
432.10223	12.3
432.23004	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.1
59.01366	3.3
60.99313	14.6
71.26814	2.0
85.02959	1.1
88.98812	100.0
89.02448	3.3
89.99160	2.4
93.03467	7.8
101.02445	1.6
109.02961	1.0
113.34599	0.9
125.02434	6.3
130.79549	1.2
135.68915	1.0
137.02486	8.1
151.03978	2.0
179.00192	1.1
191.05647	4.6
257.03589	0.9
289.07291	1.5
295.87033	1.3
327.38651	1.1
371.06564	2.1
403.24844	1.1
423.78360	1.1
431.11758	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01459	0.6
52.71483	0.5
55.01869	0.6
57.03456	3.1
59.01384	4.9
62.56245	0.5
65.27025	0.6
69.03432	2.1
69.38400	2.7
71.01385	3.9
73.02960	4.0
76.60706	0.5
79.01876	0.7
81.03434	2.2
83.01373	2.3
85.02960	1.8
89.02437	4.3
95.01389	1.6
97.02953	2.4
101.02438	2.4
108.02216	0.8
109.02973	2.5
113.02403	2.8
117.05580	2.0
119.03506	1.0
121.02917	0.5
123.00896	8.0
123.04520	3.4
124.01682	25.3
125.02460	67.5
126.02783	1.7
135.04526	0.6
136.01646	0.6
137.02449	3.4
139.04054	0.7
143.03465	0.8
149.02475	0.6
149.27032	0.6
149.99596	30.0
151.00310	2.6
151.04013	5.0
153.09253	1.1
161.02437	2.6
161.04584	1.6
163.00356	0.7
164.01102	0.9
165.01895	1.5
167.03502	1.7
168.00656	64.5
168.99796	0.6
169.01389	6.0
175.03918	1.2
177.01987	0.9
179.05571	2.5
221.18539	0.7
223.13403	1.2
235.38736	0.6
243.02852	0.8
245.04594	0.7
245.08226	0.8
269.04437	1.2
269.17651	1.0
287.05496	0.9
289.07172	4.1
304.30515	0.6
313.05606	2.8
385.18701	1.9
387.09131	0.8
407.07816	1.0
413.10861	2.3
431.11960	100.0
432.12350	9.5
432.17847	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
65.03970	0.5
69.62146	0.3
70.69806	0.8
71.01392	1.5
73.02933	0.4
83.01411	0.4
85.02988	0.3
89.02457	0.5
93.03463	75.6
94.03787	2.3
99.00900	1.5
101.02454	1.0
113.02426	0.6
125.02447	1.2
137.02454	100.0
138.02797	3.5
151.03946	0.5
161.04593	0.5
179.03598	0.4
191.05547	0.7
203.15828	0.4
299.07776	2.0
392.32608	0.4
423.54889	0.3
431.11942	21.6
432.12402	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1197
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
57.03440	3.6
59.01382	5.0
62.74403	0.6
69.03461	2.7
69.06410	3.7
69.06824	1.5
71.01392	4.8
73.02938	2.7
79.01902	1.1
81.03457	1.3
83.01402	1.3
84.99249	0.8
85.02959	1.5
89.02452	3.2
93.42506	0.8
95.01389	1.3
97.02943	3.0
98.21805	1.4
101.02466	3.3
104.21844	0.6
107.01402	2.0
109.02956	2.5
113.02429	2.5
117.05573	1.8
119.03498	1.9
123.00904	7.2
123.04543	3.5
124.00769	0.9
124.01674	25.7
125.02460	71.7
126.02785	1.9
137.02489	3.3
137.35527	0.8
147.04504	0.6
149.99603	29.6
150.03351	0.8
151.00302	2.3
151.04019	5.2
153.09264	1.0
153.39001	0.7
161.02463	3.4
161.04504	1.2
163.00368	0.8
164.01144	0.9
165.01891	0.9
167.03513	2.6
168.00650	59.0
169.01341	5.2
175.03976	1.5
177.01839	0.9
179.05626	2.8
187.04088	0.9
217.04776	0.7
222.45895	0.8
243.02985	1.5
243.06586	0.9
245.08302	0.9
269.04416	1.2
269.17459	0.9
287.05515	1.1
289.07101	3.3
303.03467	0.7
313.05746	1.8
385.18741	1.8
387.09332	1.2
407.07834	0.7
413.10797	2.8
431.11969	100.0
432.12323	9.7
451.10254	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.1
57.03447	3.5
59.01384	100.0
61.98829	10.8
69.13077	7.9
69.13476	2.4
71.01385	22.6
73.02962	4.8
78.69559	1.0
83.01376	2.9
85.02962	7.7
87.00875	5.8
89.02454	15.0
93.03493	1.4
95.01407	2.2
98.22491	1.7
99.00921	2.4
99.04532	1.3
100.88261	1.1
101.02446	12.9
113.02454	8.6
119.03507	7.7
119.05061	1.4
121.02927	0.9
123.04543	3.4
125.02460	16.5
131.03506	1.2
131.88873	1.0
135.04515	2.0
138.05602	4.1
143.03555	2.0
149.02481	2.0
149.04549	1.6
151.04037	4.0
159.02960	1.7
161.02513	4.7
161.04575	6.4
164.04831	2.0
165.01920	1.0
166.06389	2.1
179.03511	4.0
179.05731	1.7
181.08688	3.3
191.05602	3.9
191.07230	1.0
194.05908	5.5
195.06656	7.9
209.08217	14.2
210.08424	1.2
223.06110	1.7
225.70703	1.1
251.16423	1.9
269.10236	1.3
269.17557	1.3
289.07141	1.7
431.15634	14.4
431.22546	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.2
59.01385	100.0
60.01709	1.6
61.98825	1.0
70.64472	3.2
71.01390	8.3
73.02940	1.6
79.66228	1.0
85.02963	3.3
87.00883	6.9
89.02453	4.6
101.02452	4.3
108.25938	1.1
113.02445	2.0
125.02476	6.5
128.24677	1.1
138.05609	19.2
151.03992	3.0
161.02467	4.3
161.04622	1.9
176.04819	2.2
179.03482	5.5
191.07173	1.0
194.05867	7.6
195.06592	1.2
209.08203	16.2
257.08673	1.1
328.09677	1.1
331.34341	1.1
343.14227	1.4
431.15842	6.7
431.21344	1.4
432.15051	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	8.1
57.03438	7.3
58.00594	3.1
59.01094	3.7
59.01383	60.7
61.00452	1.8
62.38409	1.6
65.06233	1.4
69.03466	1.5
69.03990	8.2
69.04407	6.0
71.01388	100.0
72.99303	3.7
73.02948	31.7
83.01389	18.0
85.02958	48.1
87.00871	5.9
89.02448	18.7
95.01385	10.1
97.02958	4.0
98.22544	3.0
99.00887	9.6
101.02448	77.2
109.02922	2.3
113.02455	45.1
119.03507	6.4
123.04646	1.7
125.02459	15.5
129.01888	2.4
132.47913	1.7
143.03497	5.8
143.11328	1.4
147.03529	1.6
151.03973	2.3
159.03047	8.8
161.04558	41.0
179.05664	1.5
203.07098	1.8
243.92908	1.6
256.57053	1.8
269.10318	52.9
270.10446	4.0
289.07196	2.2
431.15601	47.4
432.15903	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.156
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69566	1.0
59.01381	33.1
69.09740	7.4
71.01383	4.7
73.02966	1.6
83.01385	1.2
85.02974	2.4
89.02448	1.7
101.02452	1.8
108.02186	3.7
113.02449	1.4
116.63029	0.8
119.05044	3.9
121.02985	2.2
123.04522	4.8
124.01643	2.4
125.02475	6.8
134.03758	1.1
135.04526	14.2
136.05321	9.2
150.03279	1.0
151.04028	3.5
151.07674	6.0
161.02472	1.2
177.05746	0.9
188.91946	0.9
195.06638	69.5
196.06952	3.3
251.09343	1.0
269.10315	4.2
276.61652	1.0
289.06992	1.1
431.15604	100.0
432.15912	8.8
455.07635	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60648	7.1
59.01381	10.8
61.19675	7.3
61.96335	7.1
82.45425	7.9
100.89493	8.4
101.20692	7.3
152.99619	7.9
197.02353	9.0
227.03551	10.9
233.15489	100.0
241.36247	7.4
255.02995	9.5
270.01468	9.1
282.10434	8.8
284.03305	8.6
285.04123	17.5
431.18356	9.8
431.27634	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64115	0.4
66.92734	0.4
69.14583	2.4
78.95910	73.2
96.96967	6.9
98.22492	0.6
116.62525	0.4
142.68173	0.4
150.98051	1.9
152.99599	100.0
153.99953	1.1
167.41154	0.4
171.00662	3.4
195.06630	1.1
277.21771	0.9
431.22122	7.3
431.31403	0.6
432.22470	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08899	0.2
57.38333	0.2
58.65810	0.2
62.96408	0.3
63.84315	0.2
67.26684	0.2
69.61018	1.1
73.23526	0.2
74.13830	0.2
78.95910	54.3
96.96043	0.3
96.96969	6.2
106.38486	0.2
139.87512	0.2
150.98045	1.3
152.99599	100.0
153.99945	1.6
171.00647	4.0
206.78316	0.3
209.95049	0.3
216.69366	0.3
237.90089	0.2
257.75647	0.3
277.21741	0.4
351.46860	0.2
367.79938	0.3
431.22049	3.7
432.22107	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03545	0.3
69.65823	1.6
74.67077	0.3
75.56617	0.3
78.95909	55.4
82.99258	0.3
96.96968	6.3
103.06169	0.3
103.75166	0.3
132.81688	0.3
150.74968	0.3
150.98027	1.8
152.99596	100.0
153.99913	1.3
171.00676	4.1
183.18245	0.3
240.25694	0.3
275.84708	0.3
277.21811	0.7
296.71381	0.3
431.21899	4.2
431.26498	0.3
431.31741	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05230	0.4
55.01872	0.6
56.34547	0.4
57.03426	0.6
58.00591	1.2
59.01385	25.0
60.08431	0.4
68.08249	0.3
71.01385	14.9
72.99297	1.3
73.02943	1.2
83.01386	1.0
84.00584	0.4
85.02953	3.7
87.00879	1.4
89.02454	12.5
95.01393	1.1
101.02451	9.4
113.01740	0.5
113.02460	4.9
119.03514	4.5
149.13310	0.4
193.15991	7.2
194.16432	0.4
198.91116	0.4
205.16089	0.5
207.17514	0.8
223.17058	1.1
227.03377	0.8
251.16521	3.0
253.18034	1.0
255.03008	0.5
265.18024	1.1
269.17590	37.8
270.17874	2.9
293.17523	0.6
311.18628	1.2
323.18427	0.4
427.99088	0.4
431.22876	100.0
432.23242	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.229
Annotation	Integrifoside C
Peak:m/z	Relative Intensity
55.01867	1.3
57.03457	0.7
58.00594	0.9
59.01384	24.6
69.32980	2.7
69.51865	0.4
71.01385	14.7
71.05009	0.5
72.99300	1.9
73.02942	1.8
83.01398	1.2
84.02190	0.8
85.02960	4.0
87.00882	0.8
89.02448	10.7
93.03428	0.5
95.01384	0.9
98.22049	1.6
101.02453	10.3
113.02456	4.8
119.03510	3.3
131.03523	0.6
134.39601	0.4
149.13374	6.5
161.04524	0.9
165.12822	0.5
179.05583	0.7
184.39188	0.5
191.05495	0.4
193.15973	4.6
205.15962	0.5
207.17548	0.8
223.17082	0.9
227.03520	0.7
232.35161	0.5
235.17116	0.6
239.16499	0.5
251.16612	2.4
255.03059	1.6
265.18124	0.8
269.17593	32.0
270.17874	2.1
284.03354	0.9
285.03983	1.3
293.17447	0.6
307.47571	0.4
311.18814	1.2
357.20685	0.5
431.22867	100.0
432.23199	12.9
432.28864	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70645	0.5
55.84367	0.5
57.03458	0.7
58.00584	0.7
59.01385	100.0
60.01711	0.7
63.02401	0.9
65.00343	0.8
67.63718	0.5
71.01389	6.8
73.02956	1.4
83.01410	1.4
85.02979	2.1
87.00896	0.8
89.02450	8.7
89.02956	0.6
93.03491	1.0
95.01431	0.6
96.96044	1.5
98.22543	1.1
99.00912	0.9
99.04671	0.5
101.02451	3.9
107.01439	1.6
110.81456	0.5
113.02448	3.5
119.03532	2.8
119.05091	0.6
125.02503	2.0
143.03654	0.6
151.00380	5.3
152.01166	3.5
161.04582	1.1
163.98279	0.5
164.18098	0.5
164.19690	0.6
169.01495	1.6
171.07919	0.5
178.99883	3.9
179.05731	1.6
187.07611	2.8
202.06477	0.7
203.24573	0.5
218.39659	0.5
231.06735	0.6
231.10425	1.6
257.08496	0.9
259.06268	2.2
264.41495	0.6
268.03958	0.6
269.04575	6.6
270.01929	0.6
270.04901	0.6
287.05853	1.0
431.09961	2.8
431.22464	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20473	0.8
52.88073	0.7
53.15419	0.8
55.01886	2.3
57.03437	2.5
58.00612	1.5
59.01387	36.5
59.69012	0.9
60.01718	1.0
69.77051	1.0
71.01388	31.3
72.01728	1.0
72.99319	3.9
73.02946	8.0
76.29876	0.8
83.01390	5.9
83.05043	1.7
85.02966	14.6
87.00887	2.1
87.04535	3.7
89.02457	14.4
89.02967	1.2
95.01393	3.1
96.96012	2.5
97.02957	1.2
98.22564	1.8
99.00914	2.6
101.02452	25.0
108.89497	0.8
113.02458	10.6
119.03512	5.3
125.02411	1.2
130.11804	1.1
138.08286	1.1
159.03036	1.2
161.04613	4.9
202.22366	0.9
227.03453	1.7
251.16597	3.2
256.03366	1.0
269.17593	3.7
273.10526	1.0
284.50919	0.9
285.03915	1.1
390.09814	1.7
431.22913	100.0
432.23230	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.7
57.03469	0.8
59.01382	100.0
59.81065	0.5
60.01723	1.3
64.13089	0.7
69.20118	5.0
69.20517	1.4
71.01388	10.5
73.02952	3.5
83.01396	1.4
85.02953	3.6
86.72778	0.7
87.00896	0.7
89.02451	5.5
96.96052	1.0
98.21712	1.1
98.95631	0.7
99.00891	1.2
101.02444	8.6
113.02447	4.3
119.03547	2.5
131.58064	0.7
132.59744	0.7
151.00426	2.0
152.01173	0.8
159.03050	1.0
161.04561	5.8
178.99934	0.9
179.10826	1.2
186.03264	1.1
213.09322	0.8
214.02721	1.6
217.81288	0.7
223.09798	3.0
241.01424	10.2
242.02168	4.7
245.00909	5.6
257.08286	2.4
269.13986	2.1
270.01669	10.5
271.02325	6.1
298.01169	7.9
299.01901	6.5
311.09552	0.9
371.20853	4.5
431.06024	12.0
431.23590	3.4
432.06641	1.5
432.23489	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2443
Annotation	Leucosesterlactone
Peak:m/z	Relative Intensity
52.38580	0.6
55.72328	0.7
69.12723	6.2
93.03468	0.8
95.01379	0.7
95.05009	1.8
96.96011	1.8
98.21792	1.4
105.03471	7.8
109.02997	0.9
119.05044	11.3
121.02964	2.2
123.04498	0.6
132.02209	3.7
133.02971	44.8
134.03833	1.2
136.01666	16.7
137.02493	6.1
147.04532	12.7
151.03979	1.9
153.05579	10.2
160.01695	1.4
163.04002	1.8
164.04778	2.1
175.03983	1.1
177.00496	0.9
177.01929	11.1
178.02594	1.0
179.03386	0.9
192.04303	15.1
193.05035	3.2
252.54799	0.7
261.49692	0.6
302.45236	0.7
387.25629	1.0
397.53070	0.6
408.46906	0.6
416.22137	2.5
431.24374	100.0
432.24710	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2806
Annotation	Plakortolide N
Peak:m/z	Relative Intensity
53.25798	0.6
54.34531	0.7
58.96203	0.8
59.01362	1.3
61.98824	1.6
71.32188	0.9
369.24026	5.3
369.28220	3.1
371.25931	20.1
372.26324	2.0
387.29129	12.3
388.29309	1.2
413.26987	3.2
431.28058	100.0
432.28421	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3168
Annotation	CHEBI:86434
Peak:m/z	Relative Intensity
76.34438	1.2
93.88956	1.1
98.22527	3.1
132.49384	1.1
172.76146	1.1
195.06631	1.7
235.58054	1.3
337.07471	1.2
413.30640	3.6
431.31686	100.0
432.32068	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	17.3
59.01388	8.3
60.01732	1.4
71.01393	7.2
71.44233	1.3
71.70358	1.1
72.01710	1.3
77.69958	1.3
81.03469	2.6
83.01375	3.0
89.02453	6.8
93.03485	1.2
95.05007	2.1
95.95657	1.2
97.02917	1.2
101.02449	3.3
105.03439	1.6
109.02962	9.1
113.02454	2.3
119.03497	2.1
121.02972	2.3
123.04536	19.1
125.02458	100.0
126.02832	5.9
131.95020	1.1
133.02945	3.6
134.42065	1.3
137.02470	7.5
139.04031	1.5
149.02428	3.1
150.03244	1.9
151.04021	27.3
152.04312	1.7
159.04440	2.2
161.02466	18.3
161.04521	3.1
163.00441	2.1
163.04016	1.4
164.01158	4.1
165.01915	5.2
175.04091	7.0
177.01895	3.1
179.03503	3.1
179.05618	1.6
187.03983	1.7
203.07143	4.5
205.05014	3.1
217.05008	2.8
227.03580	1.4
243.03029	6.5
245.04510	2.7
245.08197	4.9
261.04068	2.9
278.80148	1.4
286.04593	1.2
287.05618	7.5
289.07205	21.9
290.07562	3.8
324.19785	1.4
326.52164	1.4
407.07520	3.5
432.53864	1.3
433.24857	2.6
449.08737	1.7
451.10773	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
69.56924	49.4
71.01407	88.7
73.02937	23.8
85.02952	29.2
89.02452	67.0
98.22534	11.2
101.02476	70.3
113.02482	49.0
119.03476	15.8
144.41153	10.6
159.03032	10.6
161.04556	39.5
165.06447	11.2
171.68726	10.3
227.76122	10.7
267.06537	33.4
295.06146	28.2
313.07187	37.3
325.07126	17.7
343.08234	14.1
358.57056	11.9
387.20337	11.6
389.21933	71.9
433.11490	18.8
433.20251	27.4
433.25183	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.5
58.00576	2.4
59.01090	2.9
59.01381	45.3
65.00326	6.2
65.13415	1.6
69.03428	2.4
69.59413	6.6
71.01388	39.2
72.99307	3.7
73.02943	7.9
79.01879	1.7
81.03465	3.5
83.01391	7.6
85.02964	15.1
87.00875	2.2
87.04488	1.9
89.02454	24.4
90.30125	1.6
91.59149	1.4
93.03460	6.2
95.01410	4.6
95.18562	1.8
96.83615	1.6
97.02944	8.6
98.22540	1.8
99.00935	1.6
101.02455	28.1
105.03466	1.9
107.01417	6.0
109.02994	1.8
113.02482	13.8
117.03508	1.8
119.03594	10.4
119.05038	44.5
119.05843	3.3
121.02976	6.3
123.00935	3.1
125.02475	14.9
130.18428	1.5
135.04684	1.6
137.02469	4.9
143.03490	3.4
143.05069	3.6
145.02988	4.2
149.02469	5.6
151.00395	18.2
155.03574	1.9
159.02983	1.8
161.04613	12.9
161.05969	2.6
163.00400	6.9
163.03993	2.1
165.01950	13.2
167.03462	2.8
174.73334	1.5
177.01901	3.2
179.05598	4.7
185.06088	2.2
187.04094	3.4
191.03563	3.3
193.01436	25.0
205.01454	2.6
207.03035	3.2
219.02849	2.0
223.02571	2.8
227.07155	3.6
255.40486	1.8
271.06125	18.8
283.06049	2.5
284.06564	5.7
311.05521	1.8
312.06140	8.3
313.07202	100.0
325.07159	2.7
343.08313	24.8
345.40826	1.8
355.08185	2.6
389.21765	6.9
415.09979	3.3
432.10187	4.0
432.23032	6.1
433.11349	14.1
433.25031	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	30.7
59.01381	55.1
59.89463	6.5
69.28941	48.0
71.01392	43.6
82.80512	6.4
85.02951	10.2
89.02462	40.1
89.91323	6.5
101.02479	18.9
109.02999	18.2
113.02454	17.7
119.03529	24.6
122.03767	6.9
123.04543	26.6
125.02472	100.0
128.57965	6.5
137.02437	10.5
151.04024	34.1
161.02443	16.4
161.04584	7.2
179.05576	9.2
243.03322	10.6
245.08464	9.8
284.31583	7.9
289.07294	30.0
433.24597	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	8.8
59.01387	100.0
62.72459	5.8
67.78013	5.9
71.01392	76.6
71.30099	9.4
72.99299	9.5
73.02950	12.6
85.02960	28.3
88.98808	12.8
89.02454	48.9
93.03462	6.2
101.02458	48.1
113.02442	29.5
119.03510	19.8
125.02452	46.7
137.02467	19.1
138.02852	7.7
151.03990	8.1
161.04593	21.3
179.05557	8.5
215.07202	7.0
255.50343	6.5
289.07098	7.0
380.76315	6.8
432.23697	12.4
433.04184	6.6
433.24472	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02733	4.5
57.03471	5.5
57.99596	3.7
59.01380	86.8
65.12178	4.4
67.01881	13.3
67.68138	3.9
69.00117	26.6
69.00538	19.0
71.01382	65.9
73.02934	7.8
74.57851	3.9
83.01385	8.1
85.02953	17.7
87.00858	5.3
89.02447	53.0
93.03456	12.5
95.01423	7.3
98.21799	8.3
101.02457	39.3
101.54784	4.1
102.02783	3.9
102.72520	3.7
104.12391	4.8
113.02448	26.5
119.03502	25.6
119.05045	18.0
125.02445	6.0
127.11687	4.3
133.02928	9.9
143.03584	4.4
147.04527	6.5
161.04546	20.7
172.05247	8.8
173.04581	10.8
176.12790	4.1
179.05624	10.8
191.05673	22.0
200.04857	8.5
215.07138	100.0
217.18498	4.3
259.06137	46.3
290.07376	5.3
389.21848	8.5
433.11154	5.4
433.24976	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
69.56924	49.4
71.01407	88.7
73.02937	23.8
85.02952	29.2
89.02452	67.0
98.22534	11.2
101.02476	70.3
113.02482	49.0
119.03476	15.8
144.41153	10.6
159.03032	10.6
161.04556	39.5
165.06447	11.2
171.68726	10.3
227.76122	10.7
267.06537	33.4
295.06146	28.2
313.07187	37.3
325.07126	17.7
343.08234	14.1
358.57056	11.9
387.20337	11.6
389.21933	71.9
433.11490	18.8
433.20251	27.4
433.25183	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84767	0.6
59.01365	2.3
59.55010	0.7
64.79198	0.8
65.00315	1.4
69.12535	5.3
69.12918	1.5
75.96006	0.6
83.01400	2.0
93.03468	1.3
98.21758	1.8
107.01394	5.1
108.02176	2.0
109.02956	3.1
110.06477	0.7
112.43372	0.7
121.02966	4.4
125.02466	0.8
135.00923	0.9
139.04037	0.8
145.34734	0.7
148.01692	2.3
151.00375	17.8
152.00955	0.8
159.04491	0.9
163.00365	4.1
164.01051	0.7
169.01471	0.9
178.99883	9.0
183.04510	1.4
199.04068	1.7
211.03981	1.7
215.03459	1.0
226.02811	1.6
227.03519	4.6
229.04939	0.8
236.52243	0.7
243.02988	14.2
244.03264	1.1
245.04532	2.9
254.02257	2.8
255.02991	32.5
256.03360	3.0
271.02493	68.5
272.02988	6.3
273.03937	1.6
283.02493	2.5
299.02051	1.3
300.02768	92.0
301.03519	100.0
302.03827	8.4
343.04721	0.9
433.07776	38.0
434.08136	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01096	0.7
59.01381	11.4
63.02404	0.7
65.00319	1.1
65.60477	0.5
66.53419	0.4
67.12048	0.4
68.81353	0.5
69.18375	1.5
69.18792	1.7
71.01376	2.0
76.21817	0.4
83.01402	0.8
85.83336	0.4
89.02460	1.4
101.02455	1.9
107.01378	2.4
108.02188	1.2
109.02962	1.5
109.25831	0.5
113.02458	0.9
119.03458	0.6
121.02959	2.0
125.02399	0.7
135.00926	1.1
143.03450	0.6
147.47734	0.5
148.01688	1.5
149.02428	0.5
151.00363	10.0
161.04608	1.3
163.00386	2.9
163.92935	0.5
164.01112	0.6
165.01920	1.9
171.84608	0.5
174.03186	0.6
178.99870	5.2
181.84492	0.4
183.04469	0.6
187.03940	0.6
193.01253	0.5
199.04079	1.2
203.03345	0.5
211.04039	1.6
216.04266	1.2
226.02711	2.6
227.03484	3.4
228.04193	0.8
229.04994	0.7
239.03386	0.9
243.02992	13.6
244.03574	1.1
245.04581	1.1
254.02289	2.8
255.02992	26.5
256.03345	2.0
271.02493	64.4
272.02933	5.8
273.03922	1.2
283.02502	1.2
299.01956	1.0
300.02762	100.0
301.03497	63.9
301.07227	1.0
302.03809	4.6
343.04373	0.5
433.07764	55.5
433.24606	1.2
434.08096	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.0
57.05518	1.7
59.01378	8.8
69.42042	3.7
69.42464	6.0
71.01381	8.4
75.46381	1.6
82.23666	1.4
85.02943	2.7
89.02447	6.6
89.17978	1.3
93.03477	3.9
101.02447	5.5
113.02425	3.4
119.03549	1.9
123.04510	3.1
125.02460	13.7
126.02782	3.4
143.04976	3.8
145.02946	2.2
151.04030	4.4
153.09250	1.7
161.02441	4.2
161.04507	2.8
173.02454	4.0
174.03163	1.7
175.03903	2.6
179.05608	1.7
181.06528	1.9
185.06042	7.4
195.08141	3.6
197.06047	2.1
197.09760	2.4
199.07559	2.0
201.01962	2.8
204.04190	1.4
208.05208	1.8
209.05945	1.9
211.04057	4.5
211.07681	3.8
221.06042	4.2
222.06847	3.7
223.07611	16.9
224.04819	4.6
225.05452	3.0
225.14944	2.9
227.07104	4.6
237.05602	4.5
238.06300	6.9
239.07185	17.9
241.08701	17.4
249.05592	6.0
250.06120	2.0
251.07106	8.7
252.04305	6.3
253.05048	9.6
253.08765	4.2
254.05745	2.2
255.03117	1.6
265.05087	5.2
266.05798	20.4
267.06641	78.4
268.06897	7.3
269.08127	5.8
277.05118	20.4
278.05685	2.9
279.06625	9.8
281.08063	2.7
293.04623	2.6
295.06134	90.3
296.06451	9.0
297.07611	3.7
307.06180	9.1
313.07199	100.0
314.07532	11.1
325.07193	40.9
326.07452	4.6
337.07196	3.1
343.08270	39.5
344.08688	4.1
355.08286	3.8
386.18942	1.7
397.09256	5.3
415.10413	9.2
433.06195	1.7
433.11404	29.5
433.24469	3.3
434.11597	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.1
57.03423	1.6
58.00561	1.1
59.01384	19.5
63.02401	8.5
65.00329	10.5
69.15405	5.8
71.01388	11.8
73.02902	2.7
81.03436	1.1
83.01392	9.5
85.02904	3.1
89.02448	8.8
93.03436	1.5
95.01377	1.8
97.99777	0.7
99.00826	1.0
101.01943	0.6
101.02444	6.5
107.01399	19.4
111.00854	2.5
113.02462	4.0
117.03455	5.3
119.03511	3.9
119.05006	2.9
121.02931	0.8
123.00851	2.7
124.00873	0.9
124.01673	11.3
124.72542	0.7
125.01678	0.9
125.02462	11.1
133.02921	0.9
134.03743	4.4
135.04553	4.5
139.00333	2.3
141.01926	1.2
145.02940	4.0
149.02402	1.3
151.00378	66.5
152.01166	61.9
153.01534	2.2
161.04504	0.8
169.01439	5.6
169.06561	1.0
173.06137	1.2
177.05489	1.6
178.99866	48.8
179.05635	0.8
180.00432	3.8
183.04543	0.8
196.05289	1.5
197.06093	1.5
199.04048	1.1
201.05579	1.5
215.07104	1.3
225.05545	3.2
227.03571	1.0
240.95390	0.6
241.04985	1.8
243.02965	1.0
255.02991	1.7
259.06146	10.9
269.04559	100.0
270.04904	7.2
270.21820	0.7
271.02515	3.1
271.06015	1.9
271.19186	1.2
274.65286	0.7
282.58139	0.8
286.04861	5.6
287.05600	7.0
300.02826	6.3
301.03491	6.8
307.08029	1.2
309.15863	0.7
433.11520	52.9
433.24045	10.8
434.11801	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.6
61.60606	0.4
63.79235	0.4
65.52630	0.4
69.03486	0.6
69.03965	0.4
69.37702	3.1
70.44294	0.4
71.01392	2.4
72.91711	0.5
73.02957	0.7
85.02943	0.9
97.02949	2.2
101.02465	1.2
108.31025	0.5
117.03480	28.5
118.03850	0.9
119.05040	21.2
120.05413	0.6
120.91268	0.5
121.02905	0.6
125.02468	7.3
128.83449	0.4
132.95813	0.4
133.06604	0.7
145.02969	100.0
146.03329	5.0
147.04593	0.6
159.04562	1.0
161.06104	1.1
163.04028	15.1
164.04288	1.0
187.04063	1.6
205.05042	0.8
247.06079	0.6
255.60785	0.4
289.06863	0.5
307.08258	37.7
308.08572	3.1
309.81552	0.5
378.72491	0.5
433.11414	20.3
434.11865	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
56.89896	0.9
57.03444	1.6
58.00597	0.9
59.01096	1.5
59.01384	26.2
63.02399	0.8
65.00327	6.4
68.99794	1.0
69.00621	6.0
69.01041	3.1
69.03468	1.9
71.01391	21.4
71.05022	0.8
72.99343	1.1
73.02950	2.8
79.01864	1.0
81.03445	2.6
83.01383	5.7
85.02953	5.9
87.00891	1.1
87.04505	2.2
89.02452	17.8
93.03452	5.8
95.01395	3.4
97.02979	5.2
99.00887	1.0
101.01815	1.1
101.02459	13.6
105.03458	0.8
107.01405	6.3
109.02924	0.9
113.02465	6.2
117.03432	2.1
119.03637	7.4
119.05037	42.8
120.05367	1.1
121.02959	6.6
123.00916	1.1
125.02454	14.5
135.04527	1.6
137.02478	4.6
143.03503	1.4
143.05028	3.7
145.02956	6.8
149.02455	6.9
151.00378	19.4
155.03580	0.8
161.02454	0.8
161.04555	6.3
161.06068	2.6
163.00398	7.2
163.03973	2.1
164.01143	1.3
165.01938	10.5
167.03499	3.3
169.01488	1.1
177.01901	3.0
179.03487	1.8
179.05612	3.0
185.06059	2.3
187.04080	4.1
191.00005	0.9
191.03485	1.1
193.01428	25.7
194.01816	1.1
199.07664	0.8
205.01440	1.5
207.03026	1.7
219.02994	2.3
223.02466	3.1
227.07150	2.2
243.06676	0.9
257.59924	0.7
269.08255	1.8
271.06137	19.6
271.19217	3.1
272.06369	1.1
283.06122	3.0
284.06393	1.0
285.07184	0.9
307.08246	0.9
313.07196	100.0
314.07568	8.0
325.07291	2.5
343.08234	30.1
344.08636	3.0
355.08423	1.0
401.12399	0.8
403.13870	1.0
415.10330	2.9
433.11392	12.0
433.24857	12.2
434.11618	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.4
59.74489	0.3
61.98816	0.3
69.03472	0.6
70.77183	0.6
71.01394	3.5
73.02958	0.6
83.01413	0.7
85.02970	1.3
89.02451	0.8
97.02947	2.3
99.00900	0.6
101.02428	1.6
113.02452	1.1
117.03474	27.0
118.03822	1.1
119.05036	19.6
120.05382	1.1
125.02455	7.0
129.19157	0.3
129.56155	0.3
133.06618	0.4
143.05032	0.4
145.02963	100.0
146.03302	5.2
151.00325	0.8
152.01140	0.4
159.04492	0.5
161.06102	1.0
163.04016	14.4
164.04326	0.6
173.06145	0.3
175.03925	0.4
178.99945	0.4
187.04024	1.2
205.05142	0.8
217.05148	0.3
221.04063	0.3
247.06108	0.9
248.92767	0.4
269.04630	0.5
307.08252	31.4
308.08582	2.6
309.22476	0.4
364.37057	0.3
433.11371	21.2
433.23734	1.3
434.11743	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53062	1.2
55.01871	1.3
57.03455	7.7
57.08284	1.4
59.01385	26.9
60.56697	1.1
71.01385	30.6
72.99318	1.6
73.02948	6.3
81.03436	1.6
83.01399	5.3
85.02964	9.3
85.24529	1.3
87.00893	2.4
89.02452	16.5
93.03464	4.1
95.01392	3.9
96.28417	1.2
97.02976	1.7
99.00885	2.6
101.02456	18.4
102.02777	1.2
107.25539	1.1
109.02972	4.2
111.00903	1.4
112.48551	1.3
113.02457	15.1
119.03536	8.3
119.05062	3.2
123.04542	4.8
125.02459	37.7
125.03340	2.8
126.02796	4.2
131.03473	1.5
133.03023	2.0
135.04594	1.7
137.02487	3.6
138.06889	3.6
138.30856	1.2
139.03993	1.6
143.03514	1.6
143.04973	3.3
145.02963	3.3
149.02434	3.1
150.03168	1.8
151.03969	6.5
152.04385	2.1
153.01901	1.3
153.09256	12.3
157.06612	1.6
159.03052	2.1
161.02460	5.6
161.04562	19.9
162.03082	1.2
162.05022	1.5
165.01903	1.7
173.02487	4.1
173.06180	1.5
174.03357	1.4
175.03998	2.7
177.01927	1.5
178.99857	1.8
179.05592	3.5
181.06683	2.4
182.03886	1.4
182.07341	2.1
185.06056	6.8
186.03348	1.6
195.08171	1.7
197.06148	1.5
197.09799	1.9
199.07704	2.0
201.02054	1.6
202.02795	2.2
203.06897	1.7
208.05396	2.4
209.06125	2.6
211.03999	2.8
211.07581	2.2
221.06065	3.6
222.06841	1.9
223.07687	10.3
224.04791	3.0
225.05577	1.8
225.14958	28.9
226.02753	3.2
226.15369	2.4
227.07193	4.9
237.05656	5.0
238.06358	4.4
239.07214	12.5
241.08720	14.6
242.08990	1.8
243.02896	1.5
249.05646	4.6
250.06334	1.5
251.07108	3.7
252.04338	5.5
253.05070	6.8
253.08673	2.4
254.02232	3.2
254.05823	1.7
255.02957	4.5
259.06183	6.9
263.07227	1.9
265.05109	4.6
266.05798	12.3
267.06641	53.9
268.06973	4.7
269.04648	4.3
269.08313	3.7
271.06195	3.8
271.15594	1.3
277.05060	15.8
278.05661	3.4
279.06656	5.5
281.00958	5.3
281.08112	1.8
282.01703	2.8
283.02420	3.2
283.05939	1.4
287.05627	6.7
289.07339	4.1
294.05151	1.8
295.06137	74.1
296.06519	7.7
297.07675	3.8
299.99136	1.9
307.06152	6.8
313.07190	100.0
314.07471	6.9
325.07196	39.4
326.07422	3.1
337.07153	3.1
343.08212	39.3
344.08536	4.9
355.08130	2.6
387.20300	18.2
391.23398	4.6
397.09167	5.6
415.10388	7.0
433.05548	16.8
433.11465	30.9
433.20749	10.5
433.25027	4.3
434.06128	2.3
434.11691	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.9
59.01384	100.0
69.24125	1.7
70.41352	5.0
71.01389	20.4
72.24505	1.5
72.70290	1.9
72.99306	2.6
73.02950	2.8
81.94134	1.8
83.01353	1.9
84.77733	2.0
85.02962	5.3
89.02441	13.5
93.03459	4.1
95.01380	3.0
95.88916	1.6
97.02939	2.4
98.22522	2.1
101.02470	10.0
113.02425	4.3
119.03526	4.9
119.05038	8.4
125.02431	6.6
137.02458	2.4
143.05089	2.9
145.02936	2.3
153.01973	4.4
158.34381	1.6
161.04568	5.5
164.29013	1.7
165.01874	1.8
173.02489	2.3
174.03146	2.3
175.03946	3.1
179.05759	2.1
181.01434	25.3
185.06134	4.4
193.01427	5.1
195.08142	3.2
196.03783	28.3
211.04306	2.0
211.06116	53.4
212.06448	2.9
223.07642	5.6
224.04709	1.9
227.07002	2.5
235.07600	1.8
237.05598	2.9
238.06387	3.6
239.06999	9.8
241.08737	12.4
249.05629	4.2
252.04234	4.1
253.04985	7.3
253.08702	2.2
253.14308	2.5
265.04990	5.3
266.05811	8.4
266.61258	2.1
267.06641	39.0
268.07083	2.3
269.08270	3.6
271.06140	3.0
271.12042	2.3
277.05045	12.0
278.05539	2.9
279.06665	4.2
295.06110	60.4
296.06372	5.2
307.06158	7.8
309.89294	1.8
313.07184	82.5
314.07535	7.8
325.07166	26.1
343.08200	30.9
344.08798	3.0
397.09402	2.7
401.12317	3.3
415.10382	5.1
433.11499	22.0
433.20517	7.0
433.24796	6.2
434.11588	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98798	42.5
71.31061	66.3
74.83102	39.6
78.70924	39.3
78.95909	62.9
81.07433	35.7
116.20618	36.5
136.70653	38.5
152.99629	90.3
209.99905	38.4
271.02484	59.6
276.64264	39.8
300.02835	96.0
301.03500	100.0
318.72311	45.0
394.51770	39.0
433.20279	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35187	2.9
59.01385	66.8
71.01390	48.9
71.30910	2.6
71.31306	4.2
72.01738	3.5
73.02940	8.4
78.46427	2.4
85.02962	12.7
87.00882	3.6
87.04520	11.0
89.02457	37.1
93.03471	2.7
95.01427	3.5
99.00938	3.0
101.02456	38.1
113.02456	20.6
119.03503	16.4
123.04527	3.0
124.07020	2.5
125.02479	9.2
131.03506	4.0
138.06924	4.0
145.03065	3.1
153.09227	10.7
161.04597	20.5
173.02434	4.7
179.05565	3.6
180.05861	3.4
185.06041	4.2
201.02029	3.1
202.67044	2.8
203.35558	2.6
209.76007	2.9
223.07660	10.8
225.14980	35.7
227.07190	4.2
237.05527	4.8
238.06525	4.9
239.07117	15.0
241.08684	9.8
249.05540	3.6
251.06880	3.4
252.04301	9.6
253.05084	5.3
253.14473	7.8
265.05038	5.2
266.05945	13.1
267.06680	64.1
268.07050	4.7
277.05072	17.0
278.05530	4.4
279.06476	4.6
281.08344	4.9
295.06134	82.9
296.06516	9.2
307.06177	12.0
313.07190	100.0
314.07501	8.0
325.07181	37.6
340.85403	2.8
343.08173	41.3
387.20200	17.3
391.23444	5.8
397.09009	5.9
401.12421	7.4
415.10397	7.0
433.11655	28.8
433.19962	21.8
433.25421	6.6
434.11926	3.9
434.20419	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73807	1.4
59.01383	100.0
59.55146	1.4
61.98819	3.1
69.15685	11.1
71.01385	13.4
72.99302	2.1
73.02954	22.2
73.57505	1.5
83.01380	5.3
85.02946	1.8
89.02475	9.1
98.22551	3.0
99.36977	1.4
101.02451	24.1
113.02447	8.3
117.03487	3.2
119.03520	4.0
120.35139	1.4
131.03496	1.6
134.68156	1.6
143.03477	3.0
145.02928	4.1
149.04564	2.2
152.99619	1.9
161.04570	7.8
209.82245	1.6
249.56929	1.7
249.97630	2.0
271.02615	4.2
300.02762	7.1
301.03534	6.8
361.76758	1.9
433.24203	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11496	0.2
57.68164	0.2
58.39542	0.2
69.74635	0.7
69.75067	1.0
78.95908	54.7
96.96964	5.8
98.22412	0.4
111.04514	0.3
146.31708	0.3
150.98016	1.8
152.99597	100.0
153.99945	1.6
165.98352	0.3
171.00661	4.6
217.36018	0.2
243.31609	0.3
249.68611	0.3
279.23373	0.9
433.23553	4.5
434.23776	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2362
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
50.37797	0.2
62.96437	0.2
69.00869	2.4
78.95909	53.7
83.97947	0.2
96.96970	6.1
150.98033	1.6
152.99596	100.0
153.99966	1.9
171.00662	4.2
207.91023	0.2
208.24902	0.3
250.36519	0.2
279.23291	1.1
287.21051	0.2
364.63660	0.2
433.23523	4.3
434.23874	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36991	1.0
55.01872	3.9
57.03444	5.3
58.00589	4.0
58.52720	1.1
59.01384	88.1
69.27921	4.2
69.28351	4.4
71.01388	94.7
72.99300	4.0
73.02947	17.8
75.00871	1.5
83.01393	8.9
85.02954	31.2
85.36469	1.1
87.00873	4.7
87.04546	2.6
89.02451	53.7
93.03445	1.7
95.01394	7.2
97.02927	2.0
99.00887	7.1
101.02451	57.2
103.90432	1.2
113.01648	2.0
113.02454	36.8
119.03503	23.7
125.02425	4.3
131.03520	2.6
143.03506	6.2
145.02971	3.4
159.02988	4.5
161.04565	30.2
179.05602	7.8
235.17168	1.3
271.19220	5.2
331.60489	1.4
414.36639	1.4
416.59674	1.2
433.24481	100.0
434.24792	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.5
59.01383	100.0
60.01718	1.1
65.00328	2.7
66.82488	0.7
67.43292	0.7
68.21516	0.7
69.45624	4.4
71.01387	14.0
73.02959	2.0
81.03493	2.2
83.01405	3.9
85.02953	4.8
87.00916	0.8
89.02447	10.4
93.03495	2.3
95.01408	2.1
97.02982	3.2
99.00883	1.1
99.04565	1.2
100.17888	0.7
100.33089	0.7
101.02442	9.4
105.03513	1.6
107.01408	4.2
109.02966	6.5
113.02456	5.4
119.03579	5.2
119.05034	22.2
120.05372	1.0
121.02946	3.5
123.00929	0.9
123.04525	3.9
125.02448	18.1
126.02854	2.3
131.01277	0.7
133.02974	0.8
137.02460	3.4
143.03523	1.4
143.05048	1.7
145.02989	2.5
149.02463	3.7
151.00403	8.3
151.04085	2.5
159.04521	1.8
161.02521	2.3
161.04599	6.4
161.05951	1.3
163.00378	3.7
163.03993	0.8
164.01225	0.7
165.01988	6.1
167.03571	2.3
173.06073	0.9
177.02007	1.8
179.05664	1.2
185.06097	1.6
187.04091	3.0
190.99918	0.7
191.03484	0.8
193.01425	13.7
199.07639	1.1
203.07063	0.8
205.01453	1.1
205.05113	1.1
219.03006	1.4
223.02449	1.6
225.14951	0.7
227.07285	0.9
227.16656	2.9
241.05093	2.0
245.08377	1.1
255.06735	1.7
269.08389	1.3
271.06158	10.0
271.09326	1.2
271.19073	1.3
272.06702	1.2
275.25443	0.7
283.06180	1.7
289.07126	4.4
290.07602	0.9
295.06308	1.3
299.09406	1.4
313.07205	55.2
313.10623	2.8
314.07333	6.2
343.08224	16.0
344.08810	1.4
344.12823	5.0
355.08875	0.8
359.15054	12.3
360.15576	1.1
373.21872	1.2
415.10437	1.2
433.11517	8.4
433.19836	2.9
433.25180	5.6
434.12085	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.3
57.03452	3.8
58.00603	4.7
59.01385	90.3
60.01704	1.1
63.38653	0.7
65.00311	0.9
70.51543	2.4
71.01390	70.1
72.01722	1.1
72.99311	3.8
73.02953	22.0
83.01392	9.2
85.02480	1.6
85.02960	22.6
87.00848	4.1
89.02452	50.6
90.46420	0.8
95.01396	5.0
99.00891	5.3
101.02454	52.2
111.00883	3.6
113.02464	26.0
119.03523	25.1
125.02477	2.3
129.01932	1.0
131.03508	1.9
143.03511	3.1
149.04584	1.9
150.03305	1.2
151.00383	7.4
159.02969	1.9
161.04561	10.4
166.23755	0.9
178.99893	2.0
179.05673	4.4
187.09451	0.8
209.37004	0.8
223.16983	1.0
243.02998	1.9
255.03050	4.1
271.02509	8.2
271.19125	10.9
300.02768	13.1
301.03552	13.5
302.03967	1.7
329.13916	2.0
433.07925	5.5
433.24438	100.0
434.24686	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.8
58.00602	1.2
59.01385	93.0
60.01712	1.0
69.02064	1.5
69.02469	6.1
71.01387	19.5
72.99315	1.7
73.02954	2.0
80.97419	0.7
83.01410	0.8
85.02957	4.1
89.02451	20.2
95.01451	1.8
100.23033	0.7
101.02453	13.0
113.02466	7.2
119.03518	10.6
125.02470	0.7
131.03484	1.0
143.03493	1.5
145.02985	2.3
151.00377	1.4
161.04562	1.7
170.91588	0.7
179.05595	1.7
227.16537	3.0
242.91376	0.7
253.18082	1.2
255.03065	1.2
259.13614	0.8
260.93555	0.7
271.02548	2.3
271.19055	1.0
300.02759	4.6
301.03497	3.8
384.39645	0.8
415.23642	0.7
433.08224	2.2
433.24417	100.0
434.24692	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.4
56.80123	0.8
57.03452	4.7
58.00600	4.2
59.01382	100.0
60.01735	1.0
61.98838	2.9
63.02415	1.6
65.00330	5.7
66.30629	0.8
69.03436	1.2
71.01385	75.8
71.31016	0.8
71.31409	1.1
72.01752	1.5
72.99314	5.3
73.02950	7.5
81.03469	1.8
83.01400	10.0
84.02201	0.9
85.02953	20.8
87.00898	3.3
87.04502	1.8
89.02451	74.7
90.02802	1.0
93.03469	5.7
95.01389	7.1
97.02967	2.1
99.00909	3.0
99.04566	1.5
101.02448	49.3
107.01397	11.2
109.02996	2.4
109.06731	0.9
110.98286	0.8
111.00890	1.2
113.02464	31.0
114.02737	0.9
117.03503	2.1
119.03520	36.6
119.05019	25.3
119.05929	0.9
120.03883	0.8
120.05408	1.5
121.02966	1.7
123.00883	1.7
123.04535	1.6
125.02451	7.1
131.03542	3.6
137.02440	1.8
138.03255	0.8
139.00409	2.5
143.03545	4.2
145.02945	5.4
149.04581	2.8
151.00374	39.2
152.00731	0.9
153.05688	1.1
159.03076	2.7
159.06702	1.1
161.02481	1.9
161.04573	18.9
161.05896	0.8
162.03206	0.9
163.04036	1.4
165.01906	5.0
167.03496	1.1
169.01422	2.6
173.04590	2.4
175.28731	0.9
177.01996	3.4
178.02713	1.0
179.05617	12.6
185.06149	2.7
187.04036	1.9
193.01564	2.6
193.05037	0.9
203.03531	1.1
203.07243	1.0
227.07166	2.2
271.06125	65.8
271.15863	1.7
271.19260	8.0
272.03690	1.1
272.06378	5.7
307.08398	1.3
313.07379	8.8
343.08386	3.2
345.19385	1.8
358.10516	2.0
373.13010	6.9
374.13364	1.2
401.12726	2.5
403.14435	2.0
418.12708	1.3
433.11365	8.3
433.15329	6.8
433.24634	42.8
434.11325	1.3
434.16196	1.1
434.24915	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2447
Annotation	Dictamnoside J
Peak:m/z	Relative Intensity
55.01871	0.9
57.03440	1.0
58.00586	1.2
59.01384	100.0
66.60842	0.9
71.01387	14.6
72.42570	0.8
72.99323	0.8
73.02956	2.9
73.92153	0.7
83.01395	2.0
85.02953	5.1
89.02463	8.5
95.01379	0.9
98.00816	0.8
98.88779	0.8
99.00938	0.9
101.02452	9.8
111.08186	1.6
113.02464	7.3
115.29205	0.8
119.03509	4.1
127.11254	1.7
139.11317	1.1
143.03461	1.1
151.00478	1.2
153.12842	1.0
155.10768	1.5
161.04559	3.4
167.98611	1.0
179.05760	1.0
183.17577	1.5
190.06090	0.9
207.51895	0.8
224.65305	0.8
227.16544	30.0
228.16869	2.5
244.61674	0.8
253.18102	1.6
276.95901	0.7
300.02753	1.7
373.22415	12.4
374.22552	1.6
415.23444	2.0
433.24384	66.0
434.24799	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	2.0
58.00583	4.1
59.01383	89.7
69.32055	1.4
71.01389	71.4
72.99307	5.8
73.02950	2.0
73.79210	1.4
83.01396	4.2
85.02950	12.6
87.00877	2.4
89.02453	100.0
95.01383	3.2
101.02447	42.3
113.02457	29.6
119.03519	34.8
122.31216	1.4
131.03529	4.5
143.03505	9.3
145.02954	2.4
149.04588	4.6
160.40999	1.4
161.04544	9.9
179.05629	33.1
205.15979	2.9
211.76399	1.4
211.95235	1.6
221.15492	3.7
227.55708	1.8
271.19196	5.4
300.02798	5.4
301.03403	3.2
339.60559	1.7
345.28342	1.6
433.19284	2.3
433.24817	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.296
Annotation	Stolonic acid A
Peak:m/z	Relative Intensity
59.01377	2.2
71.31360	1.1
78.95900	1.6
89.77580	1.2
93.93811	1.3
139.07597	1.6
151.00388	1.2
152.99606	3.9
162.85164	1.1
226.92195	2.1
271.02573	2.2
300.02707	4.0
301.03616	2.8
345.28052	3.9
357.24316	7.8
358.24768	1.5
389.30814	1.4
403.21356	1.3
415.28687	11.6
433.07745	2.6
433.29706	100.0
434.06226	5.3
434.30090	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23272	0.4
58.18185	0.4
78.95911	10.2
89.49366	0.4
93.03465	1.9
96.96986	1.0
137.02487	0.7
141.98283	1.1
152.99600	17.4
153.99937	1.9
155.03595	0.7
161.02515	0.6
167.02702	100.0
167.41331	0.4
168.03061	5.3
170.98558	17.7
171.98849	0.7
181.04323	0.9
195.02223	1.1
197.03766	6.1
209.03714	0.7
339.12582	1.1
354.14902	2.7
363.11591	2.4
390.12714	5.7
391.13138	0.9
407.10608	5.6
408.10715	0.7
434.11734	4.0
434.24271	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23272	0.4
58.18185	0.4
78.95911	10.2
89.49366	0.4
93.03465	1.9
96.96986	1.0
137.02487	0.7
141.98283	1.1
152.99600	17.4
153.99937	1.9
155.03595	0.7
161.02515	0.6
167.02702	100.0
167.41331	0.4
168.03061	5.3
170.98558	17.7
171.98849	0.7
181.04323	0.9
195.02223	1.1
197.03766	6.1
209.03714	0.7
339.12582	1.1
354.14902	2.7
363.11591	2.4
390.12714	5.7
391.13138	0.9
407.10608	5.6
408.10715	0.7
434.11734	4.0
434.24271	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18594	0.3
59.01374	0.9
61.98832	100.0
69.03456	0.7
70.42077	0.7
73.62688	0.5
78.14352	0.4
81.03522	0.4
83.01387	0.4
87.23169	0.3
89.02519	0.4
93.03487	0.5
102.70483	0.4
107.05074	1.7
109.02985	0.5
121.02967	1.1
122.03774	1.2
123.00890	0.8
124.01660	0.8
125.02448	4.1
137.02513	1.0
149.99606	1.8
151.32349	0.4
154.11629	0.4
165.09264	1.1
167.03522	0.8
168.00655	3.1
209.08186	7.2
229.08656	2.6
273.07632	1.8
315.44904	0.4
341.06931	0.6
371.13879	1.2
435.09454	4.2
435.13846	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	8.2
59.01384	100.0
60.01725	4.2
69.03453	3.7
69.31921	12.0
69.32346	15.7
71.01385	73.4
72.01704	6.0
72.99320	4.0
73.02943	13.5
78.46819	3.3
83.01392	8.8
85.02937	27.7
87.00890	9.2
89.02455	63.3
90.02795	4.9
93.03441	4.3
95.01418	6.3
99.00928	3.6
101.02450	44.3
102.02762	5.5
109.02946	8.9
113.02457	23.8
117.03477	5.6
119.03487	26.0
119.05061	6.0
120.05379	3.8
123.04539	3.5
125.02453	12.1
131.03503	4.4
135.04468	4.4
137.02460	5.3
143.03522	5.5
145.02945	6.1
146.03311	6.4
149.04500	3.5
154.45270	3.3
159.03065	4.9
159.04454	4.2
161.04581	17.3
162.04982	3.8
173.04521	5.8
179.05626	12.3
188.04771	6.6
191.05600	9.9
201.11398	3.5
201.63864	3.5
217.08789	18.5
218.09154	4.5
243.06685	5.1
249.63800	3.3
268.07074	4.4
271.19006	4.0
272.19431	6.6
273.20734	7.7
308.08514	4.2
314.07715	4.3
341.06604	9.7
341.33194	3.4
391.23315	12.6
402.12735	9.2
434.11856	6.5
434.25110	27.6
435.12665	4.6
435.26587	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.1
57.03457	9.6
59.01388	100.0
71.01389	91.5
73.02948	13.0
81.03481	5.4
82.62563	4.7
83.01373	10.6
85.02947	26.1
87.00836	5.4
89.02455	61.7
93.11970	4.4
95.59200	4.9
101.02441	62.4
109.02963	10.9
113.02461	41.9
118.03799	4.6
119.03521	25.8
119.04930	5.8
120.03823	5.0
125.02492	26.2
126.02804	8.2
135.04549	6.8
137.02461	16.1
143.03511	9.2
145.02957	20.1
146.03284	11.1
151.00432	5.1
161.04581	25.9
173.04524	9.3
179.05638	9.6
191.05603	14.4
217.08652	22.2
221.06825	5.0
242.09323	5.1
254.05579	6.6
260.06573	6.4
261.07678	7.4
267.06647	8.2
268.06830	23.3
269.04312	5.8
270.04932	10.2
272.19580	4.7
273.20871	5.4
278.05411	5.3
287.05698	5.0
288.06024	10.6
295.06204	7.8
296.06470	27.3
297.90048	5.3
313.07071	6.5
314.07477	50.0
321.16608	5.6
321.25107	4.7
326.07483	17.6
341.06711	6.8
344.08621	19.1
364.88889	5.1
391.23416	83.1
392.23911	9.8
402.12903	9.2
416.10770	6.5
434.11688	22.4
434.25058	23.0
435.11938	5.5
435.26434	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
58.00585	2.7
59.01387	100.0
60.01725	2.8
69.30310	4.0
69.30716	10.5
71.01388	64.1
72.99313	4.6
73.02953	7.6
77.70598	1.8
83.01378	4.0
85.02963	15.5
87.00871	6.1
89.02457	58.9
95.01408	5.5
99.00856	3.2
101.02448	43.4
109.03028	2.2
113.02467	26.9
119.03527	28.8
119.04990	3.1
120.05344	2.7
125.02484	2.8
131.03571	3.7
137.02443	2.4
143.03490	6.6
155.10861	3.1
159.03049	2.9
159.33414	1.9
161.04564	15.7
173.04539	3.2
179.05617	11.6
182.30098	2.1
189.53113	2.0
191.05614	3.1
196.30380	1.9
273.20685	10.5
313.07361	2.5
314.07498	14.7
336.80420	2.0
344.08627	3.1
378.96497	1.6
387.20465	3.7
388.20670	7.7
391.23523	7.0
434.20319	4.1
434.25388	3.5
435.26379	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.2
57.03440	3.2
59.01093	5.6
59.01385	100.0
60.01718	5.5
61.98813	6.3
69.22932	21.3
69.23264	4.5
71.01391	64.0
72.01745	4.5
72.99300	3.8
73.02939	5.9
76.72923	2.3
83.01378	4.0
85.02541	2.5
85.02960	17.2
87.00901	4.6
89.02453	64.7
90.02812	2.9
93.03461	2.7
95.01407	4.4
101.02459	41.4
113.02465	26.2
119.03512	27.0
119.04947	3.4
131.03491	3.3
143.03488	4.1
144.97084	2.4
151.00403	2.6
155.10770	3.2
161.04602	16.3
169.27301	2.7
170.64008	2.5
173.04480	5.3
176.30144	2.7
179.05710	12.8
182.80350	2.8
184.14507	2.3
191.05644	5.4
272.06512	3.6
273.20773	10.9
303.78485	3.2
313.07077	4.0
314.07458	7.6
344.08698	3.6
391.23380	8.9
434.11911	3.0
434.20163	12.7
434.30026	3.0
435.26672	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88728	30.5
61.85811	28.1
61.98815	37.9
62.18850	24.4
71.06842	47.7
72.15154	23.7
76.68018	23.2
83.05039	42.1
96.36991	23.4
98.01884	24.7
125.07276	28.7
125.87309	25.7
150.99686	23.7
152.99571	32.5
157.86377	27.3
177.95065	28.2
185.42224	20.5
204.27983	23.2
314.54364	23.6
391.29691	100.0
444.21274	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0592
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61876	0.8
57.66806	0.8
59.01367	1.5
59.04689	0.8
67.27608	0.8
69.20368	0.8
69.55825	4.9
79.95735	3.1
82.02841	0.8
96.96018	100.0
112.08611	0.9
113.92613	1.2
119.05041	6.6
142.96658	1.8
163.04007	8.0
182.99673	1.2
184.97705	5.6
191.05646	3.8
202.98677	2.0
209.01433	1.0
210.99442	1.0
218.99908	0.8
235.02631	1.0
261.00809	1.7
271.01398	1.4
289.02466	6.5
337.09302	3.9
375.04224	0.9
407.47476	0.9
435.06134	11.9
436.06705	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0788
Annotation	Hamigeran C
Peak:m/z	Relative Intensity
59.01388	5.7
69.03469	2.9
70.81342	4.4
71.01382	4.0
73.02942	1.7
85.02964	11.0
87.00898	2.8
89.02457	1.9
93.03452	9.0
96.97009	1.5
101.00985	3.8
101.02467	2.7
109.02945	3.6
111.00900	2.1
111.04575	1.8
113.02437	1.8
117.00461	4.3
117.01942	1.6
125.00957	2.5
125.02415	2.4
126.98873	3.1
127.02534	4.3
127.04016	3.3
127.51835	1.8
133.02945	2.7
135.04564	3.5
137.02473	3.8
138.98824	1.6
141.00430	3.2
141.01938	1.8
143.02061	1.9
149.00980	3.1
151.02492	2.8
155.02010	1.5
157.03633	3.2
165.05591	1.8
167.02028	4.2
169.00002	10.8
169.03613	7.4
171.03082	4.6
173.00952	6.3
173.04605	11.9
175.02519	21.1
176.02754	3.7
177.00371	2.1
181.03493	1.7
183.05238	1.9
185.03186	1.5
187.99606	2.8
190.01245	2.8
191.05618	65.6
192.05983	2.6
193.03571	2.6
195.01501	27.6
196.01602	2.6
199.02637	3.0
201.00458	35.2
202.00810	2.5
211.01068	4.8
213.07703	2.1
215.02071	1.7
215.05658	2.0
217.03610	10.7
219.01486	56.5
220.01682	5.4
225.02629	3.1
231.03766	3.4
236.95103	1.9
238.94043	1.5
243.01480	13.8
243.05185	2.2
244.01869	1.9
245.03053	4.0
255.03651	6.8
256.03882	1.5
259.04633	4.3
261.02536	2.6
268.94858	1.6
270.97083	3.6
271.01041	2.7
271.04654	2.0
273.04691	100.0
274.04874	9.0
287.04242	3.4
289.02100	12.6
293.00110	1.7
297.02747	3.0
309.70181	1.5
314.96188	2.8
315.03598	4.0
331.03156	4.3
357.04675	6.5
374.98669	7.6
375.05725	86.0
375.98145	1.9
376.06006	12.7
393.06827	33.3
394.06943	7.1
435.07834	40.3
436.08127	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0936
Annotation	Irisxanthone
Peak:m/z	Relative Intensity
51.69904	0.8
58.37852	0.8
65.78159	0.9
69.03458	2.7
69.36604	1.9
69.37004	3.5
83.01385	1.3
95.01394	1.6
96.77567	0.8
96.78490	0.9
97.02975	4.1
98.21868	2.1
107.01379	1.9
109.02994	1.4
119.24462	1.0
121.02957	8.0
123.00890	6.9
124.01676	21.6
125.02462	54.6
126.02792	1.7
137.02432	2.3
149.98373	1.9
149.99603	39.3
151.00125	2.0
153.61572	0.9
167.03473	0.9
168.00656	64.5
169.01434	5.5
267.79117	1.0
313.05698	3.6
337.02219	1.1
341.06662	2.4
411.98865	1.0
417.08279	5.7
435.09363	100.0
436.09677	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.9
59.01371	4.2
66.92228	0.6
69.03458	0.6
71.01368	3.7
71.06844	0.7
71.31485	0.9
73.02942	1.8
79.44433	0.6
81.03449	1.0
81.09168	0.6
83.01380	0.8
85.02946	2.6
87.00868	0.7
91.23940	0.7
93.03467	67.3
94.03812	2.4
95.01405	1.3
101.02431	2.6
101.78691	0.6
102.65410	0.7
108.02186	70.7
109.02979	29.3
113.02435	1.9
121.02958	1.6
122.88586	0.7
123.04504	1.1
125.02425	0.8
135.04572	1.1
137.02458	100.0
138.02806	4.4
147.04652	0.7
151.04051	1.0
152.01164	96.3
153.01959	36.6
154.02290	1.0
161.04504	0.8
163.03987	1.3
165.01973	1.7
179.03429	0.8
195.02870	1.1
225.04111	0.7
289.16608	2.0
297.06192	26.7
298.06384	1.9
315.03659	1.4
315.07242	20.8
316.07550	1.8
435.09348	97.4
436.09659	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.6
59.01375	4.4
61.87123	0.6
66.73988	0.6
71.01352	2.5
83.01366	0.7
85.02944	1.2
89.02435	1.5
89.03979	0.7
93.03454	9.1
95.05033	0.8
97.02914	0.8
101.02406	2.2
103.05531	0.7
109.02258	1.1
109.02957	16.0
113.02446	0.8
117.03440	2.4
119.04980	2.0
122.03782	0.6
123.03656	1.0
123.04533	14.9
125.02394	0.8
133.02992	3.3
134.03722	0.6
135.00839	0.8
137.09647	0.8
139.03792	0.6
145.02959	8.1
147.04497	3.9
148.01714	0.7
149.02443	1.0
150.03183	1.3
151.04019	6.2
159.04486	1.7
161.02429	1.5
161.04608	0.9
161.06012	1.1
162.03242	0.7
163.03963	1.9
164.73979	0.6
175.04016	0.9
176.01265	0.6
177.01939	23.8
178.02252	0.7
187.04010	1.8
189.01944	47.6
190.02704	11.5
191.03508	11.3
203.03510	6.2
203.07104	0.7
214.99059	0.6
216.00694	6.7
217.01422	33.8
218.01985	3.3
219.03004	14.3
227.07094	0.8
229.04915	0.7
229.16794	0.7
231.02979	12.1
232.03569	1.2
233.04535	0.8
239.07106	0.5
241.05067	1.9
245.08228	1.0
269.04675	0.7
271.06140	4.8
272.06912	0.6
281.04575	1.6
283.06061	2.7
289.07196	4.9
297.07620	1.7
303.17932	1.3
305.04501	0.6
311.05524	6.1
323.05627	1.4
325.07053	1.0
341.06662	100.0
342.07028	10.4
391.11758	0.8
435.10889	31.8
435.25137	2.1
436.11169	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1298
Annotation	1-(3-beta-D-Glucopyranosyl-2,4,6-trihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
57.03445	1.9
59.01378	1.4
69.03458	1.5
69.36277	5.2
81.03450	8.7
82.69547	0.9
83.01397	4.3
90.48455	0.9
93.03446	5.0
94.19434	1.1
95.05027	11.8
95.76485	1.1
97.02975	4.2
98.22501	1.8
98.31516	0.9
98.87402	0.9
99.04524	3.1
99.46029	1.0
107.01484	1.2
109.02983	1.2
113.29568	1.0
113.42070	1.2
119.05038	8.9
121.03007	1.4
122.03700	1.7
123.04540	17.3
125.02460	18.9
135.04514	1.8
137.02483	3.1
137.06093	12.0
139.04001	3.0
141.05568	1.2
147.04550	2.1
155.03606	1.2
165.01759	1.3
165.05566	8.6
167.03510	44.6
168.03886	1.4
179.03511	7.3
181.05057	1.9
189.05560	4.7
193.05095	1.2
197.04578	3.9
209.04543	14.9
221.04510	1.8
230.55273	1.0
239.05798	1.7
273.03079	2.4
273.07693	8.1
275.49716	1.1
284.92465	1.0
285.07675	2.0
290.95679	1.1
300.02737	1.7
301.03375	4.0
302.03366	5.6
303.04077	4.9
315.08749	100.0
316.09122	8.1
327.08746	1.9
345.09796	24.2
346.10165	1.9
381.10175	1.0
417.12039	1.9
435.08124	3.0
435.13092	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.13
Annotation	SCHEMBL110262
Peak:m/z	Relative Intensity
57.03446	2.4
58.00585	1.0
59.01387	17.6
60.01720	0.6
61.01801	0.7
61.98827	4.4
65.00331	1.6
69.32159	1.3
69.32562	3.1
71.01389	11.8
72.01720	0.7
73.02930	2.2
75.00894	0.6
81.03468	12.2
83.01395	6.1
85.02951	4.2
87.00871	0.9
89.02444	7.6
93.03474	9.6
95.01400	1.3
95.05058	0.9
98.22581	1.1
99.00923	0.7
99.04541	1.0
101.02444	7.1
107.01408	1.8
113.02451	4.2
119.03555	2.8
119.05035	9.2
123.04540	31.9
124.04852	0.9
125.02463	16.2
131.03537	0.8
135.04510	1.3
137.02400	0.7
141.09229	2.4
143.03481	0.7
149.02455	2.0
151.00401	3.1
153.01970	2.9
161.04578	3.2
165.05563	0.8
166.02657	0.9
167.03508	75.9
168.03877	3.5
169.06589	0.7
169.63077	0.7
179.03516	9.5
179.05656	0.9
187.07663	3.9
189.01961	0.6
189.05606	1.8
191.03575	1.3
211.07635	0.6
215.20923	0.7
218.67422	0.8
228.03857	0.9
229.04085	0.9
229.08707	0.9
256.03268	0.9
257.03632	1.2
257.08200	2.6
258.03931	0.9
273.07697	100.0
273.20679	1.6
274.08029	8.3
286.03958	1.4
287.04428	2.2
288.04669	1.4
289.05176	2.2
297.07724	0.6
341.06650	2.0
359.21045	0.6
362.17291	0.6
391.10696	0.7
434.24887	2.8
435.10864	3.8
435.25607	9.0
436.01367	0.6
436.26401	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1301
Annotation	Catechin 7-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
50.37391	0.6
55.35701	0.5
57.03439	2.1
59.01369	2.0
61.98837	3.4
69.03470	0.6
71.01387	0.9
71.11798	0.6
81.03451	2.1
83.01400	3.6
89.02410	0.9
92.27701	0.5
93.03451	2.3
95.01387	0.9
95.05051	3.5
97.02967	5.3
108.02159	1.1
109.02962	20.5
121.02972	3.3
122.03757	1.3
123.00915	0.7
123.04542	17.8
125.02455	17.0
133.17764	0.5
135.04544	2.3
137.02464	16.7
138.03026	0.6
139.04004	3.9
145.02930	1.1
149.02451	5.5
150.03238	1.4
151.04012	9.0
152.04352	0.8
159.04536	2.4
160.05293	1.2
161.02452	4.0
161.06097	4.1
162.03191	1.6
163.04016	2.0
164.01158	4.7
165.01936	8.8
167.03500	1.6
173.06013	0.9
174.03264	0.7
175.04013	2.0
175.07709	1.7
179.03514	6.4
181.04936	0.7
185.05969	0.7
186.25620	0.5
187.04016	3.9
188.04816	4.4
189.01929	2.3
191.03510	0.7
199.07562	0.7
201.05519	0.7
202.06342	2.1
203.03517	1.3
203.07146	11.9
205.05032	8.1
212.04942	0.9
221.08253	2.8
227.07137	1.9
229.08685	1.3
230.05779	0.8
231.02989	0.9
245.02771	0.6
245.08209	18.1
246.08519	0.8
247.06071	1.9
254.36328	0.6
273.07663	1.3
283.08359	0.6
289.07202	100.0
290.07532	8.2
297.07510	0.9
311.07715	0.7
313.07166	2.1
435.07370	1.0
435.12894	8.8
436.13272	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.151
Annotation	Unknow
Peak:m/z	Relative Intensity
64.25239	7.2
70.80698	17.8
137.02483	9.1
145.03044	8.2
149.02443	37.5
150.03226	42.6
164.04831	23.9
165.05588	100.0
180.04265	10.0
195.06621	36.3
248.72345	8.3
327.10870	15.5
390.94852	8.3
392.61581	8.2
426.87930	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	1.0
59.01387	4.8
61.98847	1.1
68.48058	0.8
71.01381	2.0
74.60620	0.8
78.85114	0.8
80.56876	0.9
86.59597	0.9
89.02479	1.1
96.95989	1.2
101.02480	1.4
108.02213	1.1
109.02954	1.5
123.04507	1.1
145.03004	1.4
151.00325	1.3
152.01122	1.0
154.77933	0.8
167.03406	1.1
177.01996	1.0
180.04340	1.9
189.01935	1.6
195.06578	1.4
201.01889	1.2
213.02013	1.0
213.05592	2.5
226.02866	1.3
228.00444	1.2
229.01459	2.7
230.02155	1.4
231.02954	1.9
241.01331	1.3
241.05153	2.4
242.01997	1.1
243.03038	2.6
245.00928	1.6
245.04669	1.1
256.00095	4.0
257.00928	7.8
258.01672	7.3
258.05344	1.5
259.02444	6.1
259.06165	1.2
261.04086	1.7
268.03806	2.4
269.04523	2.0
271.02481	7.6
272.03253	7.8
273.00436	5.9
273.04016	7.1
273.07672	4.8
274.01218	6.1
275.01895	1.7
275.05383	1.2
278.79074	0.9
280.54330	0.8
283.02560	1.4
283.06134	1.0
285.03958	2.1
286.04837	7.7
287.02036	2.7
287.05603	5.6
288.02817	12.7
289.03448	8.1
289.06583	1.1
290.04410	4.0
296.03326	3.5
297.04068	1.8
298.04770	1.1
299.08820	1.1
300.02939	1.3
301.03442	3.0
301.07260	3.8
302.04120	2.1
303.05130	13.8
304.05817	6.8
305.06720	21.8
306.06931	1.3
311.05701	2.9
312.06473	2.0
313.07266	1.2
314.04297	2.3
314.07925	1.1
315.05246	5.9
315.08514	1.6
317.03000	2.5
317.06738	3.4
319.08258	8.7
320.08578	0.9
326.07904	2.4
327.08777	2.3
329.06689	3.1
332.05396	3.4
333.06088	1.4
341.06732	5.8
343.08383	1.4
344.09076	2.1
345.09818	2.3
347.07712	22.5
348.08017	1.5
355.08084	1.1
359.11481	1.5
361.09387	1.5
370.10471	1.0
373.09232	1.7
374.10095	1.2
385.13052	1.9
387.11276	1.2
388.11563	3.3
389.12506	3.8
403.14130	5.2
405.11987	3.9
420.14291	23.9
421.14813	2.1
435.16629	100.0
436.16898	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04922	5.0
57.03433	6.3
58.00590	4.6
59.01136	6.5
59.01387	74.3
59.41731	5.0
61.47598	4.9
71.01372	23.9
73.02951	11.9
83.01411	8.3
83.05051	6.5
85.02949	16.4
89.02446	10.4
93.03468	72.5
101.02445	18.2
108.02172	66.4
109.02995	33.7
113.02480	9.5
118.74627	4.9
125.02419	5.6
131.92056	5.4
135.04564	6.5
137.02451	97.3
151.03897	5.3
152.01173	100.0
153.01955	57.7
161.04514	9.5
179.03548	25.6
194.05774	18.7
207.06673	10.8
209.08214	15.2
218.94032	5.2
225.07809	7.2
228.10918	5.1
235.60381	5.5
257.19977	5.6
271.02460	5.4
273.20877	6.9
288.02811	7.6
289.16656	8.0
297.06229	30.4
303.05072	6.2
315.07211	21.5
341.06866	5.8
359.18393	9.8
420.14069	6.6
435.09262	81.8
435.16473	34.5
435.21680	14.2
436.09579	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04922	5.0
57.03433	6.3
58.00590	4.6
59.01136	6.5
59.01387	74.3
59.41731	5.0
61.47598	4.9
71.01372	23.9
73.02951	11.9
83.01411	8.3
83.05051	6.5
85.02949	16.4
89.02446	10.4
93.03468	72.5
101.02445	18.2
108.02172	66.4
109.02995	33.7
113.02480	9.5
118.74627	4.9
125.02419	5.6
131.92056	5.4
135.04564	6.5
137.02451	97.3
151.03897	5.3
152.01173	100.0
153.01955	57.7
161.04514	9.5
179.03548	25.6
194.05774	18.7
207.06673	10.8
209.08214	15.2
218.94032	5.2
225.07809	7.2
228.10918	5.1
235.60381	5.5
257.19977	5.6
271.02460	5.4
273.20877	6.9
288.02811	7.6
289.16656	8.0
297.06229	30.4
303.05072	6.2
315.07211	21.5
341.06866	5.8
359.18393	9.8
420.14069	6.6
435.09262	81.8
435.16473	34.5
435.21680	14.2
436.09579	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.216
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98852	14.1
65.57197	13.3
69.06180	100.0
80.20582	13.2
84.61263	12.5
85.87881	15.3
106.24295	12.7
106.46472	11.5
152.99620	15.6
232.73904	10.9
412.72797	14.4
435.21869	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2519
Annotation	LPA(18:1)
Peak:m/z	Relative Intensity
54.42390	1.0
55.46841	1.0
56.37870	1.0
71.30133	1.5
73.14610	1.1
75.15419	1.1
78.95447	2.7
78.95909	52.6
96.95982	1.3
96.96964	5.4
105.23338	1.2
150.98022	2.7
152.99602	100.0
171.00665	3.7
174.14514	1.0
203.41585	1.0
226.67178	1.3
259.93637	1.2
414.19006	1.3
435.24896	5.8
435.35019	3.9
453.15549	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18538	0.2
59.76637	0.2
62.96418	0.2
69.16885	1.5
72.10197	0.2
78.95911	56.0
87.70157	0.2
94.44959	0.2
95.37395	0.2
96.96971	6.0
98.22596	0.2
113.69301	0.2
126.37651	0.2
147.39067	0.2
150.98038	1.6
152.99603	100.0
153.99968	1.2
171.00667	4.1
184.89168	0.2
281.24945	0.8
310.46143	0.2
435.25177	6.2
435.31097	0.4
436.25342	0.6
457.51306	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01718	0.7
61.98826	1.7
69.02426	5.2
70.23746	0.6
71.01389	3.9
73.02950	1.2
85.02965	1.7
89.02460	1.5
98.21824	1.4
101.02416	3.0
109.03008	2.1
111.02014	1.0
111.26505	0.6
113.02482	1.2
125.02479	2.0
133.95209	0.7
134.03767	1.4
135.01013	0.7
153.01970	3.0
161.04631	1.9
167.03508	1.4
219.11421	0.7
255.03267	0.9
271.02612	0.7
285.11383	0.8
301.03516	1.2
302.03705	2.3
303.04221	1.3
315.08755	1.3
375.24222	2.3
407.08002	1.6
435.08957	1.9
435.21915	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.3
59.01376	0.5
59.98526	1.8
67.05537	0.2
67.52766	0.1
69.02341	1.0
69.02750	0.4
69.03461	0.3
78.95915	0.6
83.05030	1.2
93.07120	0.1
95.05010	0.2
97.06599	0.5
99.04576	0.2
105.07123	0.3
111.04530	1.5
123.08184	0.7
137.06085	0.3
138.06876	6.5
139.07703	0.9
143.51193	0.1
147.56728	0.1
152.99615	0.7
153.05580	0.5
153.99994	0.2
155.00053	0.3
219.05066	0.2
241.16031	0.6
253.19868	0.1
265.19611	0.1
279.21133	0.1
281.19049	0.1
283.20691	0.3
295.13028	0.2
295.20721	0.4
297.22256	0.5
339.19705	0.5
351.05746	0.2
363.23413	0.6
363.30725	0.1
373.29056	1.1
374.29663	0.2
391.30087	5.9
392.30444	0.8
407.29401	0.5
408.30258	0.2
417.27914	0.7
419.12018	0.2
421.04190	0.1
435.29059	100.0
436.15878	0.4
436.29395	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71457	1.0
57.03465	1.2
57.83156	1.0
59.98521	1.7
70.31767	3.3
83.05074	2.1
90.14850	1.3
111.04562	1.5
138.06889	5.1
139.07660	5.0
212.54395	1.2
329.16870	1.2
354.44910	1.1
391.30145	4.8
435.29092	100.0
436.29468	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2906
Annotation	Isoiguesterol
Peak:m/z	Relative Intensity
50.04525	0.4
50.45461	0.4
57.03439	0.5
57.25547	0.4
68.98967	1.3
68.99379	2.6
78.95924	0.7
119.43271	0.4
152.99548	0.6
173.13232	0.5
183.39207	0.5
185.13271	0.6
333.25989	4.9
377.24896	10.7
378.25259	1.1
419.12292	0.9
435.15796	2.2
435.29047	100.0
436.29370	16.1
458.35385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2908
Annotation	Isoiguesterol
Peak:m/z	Relative Intensity
59.01366	1.1
59.98525	1.4
67.40856	1.1
71.31829	1.5
71.32221	1.2
77.53928	1.0
77.99062	0.9
83.05038	2.1
111.04515	2.0
115.31209	0.9
123.08208	1.2
138.06914	7.9
142.08911	1.0
145.00410	1.1
151.07681	7.0
202.54390	1.0
237.86337	1.0
284.54477	1.2
297.22327	1.5
328.86469	1.0
377.24893	1.7
391.30103	4.3
397.90567	1.0
417.28131	1.4
435.29099	100.0
436.29449	15.2
458.61877	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59341	1.2
61.98834	100.0
66.90734	1.3
68.57302	1.1
75.43176	1.5
86.90436	1.2
111.89056	1.3
125.02487	2.5
129.28069	1.3
143.60338	1.4
145.49060	1.3
150.03120	1.9
165.01904	1.9
167.47018	1.4
193.05084	3.3
246.65460	1.3
267.46832	1.3
343.10306	2.1
373.11395	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32756	6.8
59.01380	100.0
65.34423	8.9
66.37590	8.2
69.65275	16.2
69.65664	23.4
71.01388	92.1
73.02965	8.2
82.58779	8.3
85.02976	11.4
89.02449	95.5
91.85884	7.4
93.03445	8.9
96.96019	14.0
99.00868	8.5
101.02438	50.0
113.02450	23.6
119.03518	25.1
131.03523	62.3
149.04553	49.9
159.62836	7.6
161.04555	14.0
179.05609	30.7
191.05603	27.0
192.07419	9.0
249.71910	8.5
250.07678	8.1
255.06642	9.0
261.13385	14.3
305.15881	10.1
319.91440	10.7
342.07141	10.0
393.17657	25.6
436.22495	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	75.2
59.89144	35.7
60.55472	41.5
61.98823	52.1
71.01376	37.6
71.55180	36.5
80.27950	40.4
84.45513	41.4
98.21754	100.0
102.76158	44.8
114.58499	37.4
153.09244	44.6
156.27562	44.6
180.94849	38.0
241.23441	37.9
434.95169	42.4
437.23181	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.0
61.98835	100.0
71.01390	2.5
71.32285	2.7
76.75632	1.9
77.76888	1.8
85.02964	2.0
87.17068	1.7
87.89498	2.5
101.02415	2.2
103.66193	1.9
103.82192	1.8
135.16852	1.7
158.48174	1.6
209.43138	1.8
230.87517	1.9
231.45828	1.9
245.40356	2.1
312.78583	2.2
373.26160	9.2
399.36084	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60698	1.6
59.01372	4.7
64.86729	1.4
69.04912	14.7
71.01380	3.9
81.03495	1.4
81.23573	1.3
85.02930	1.5
89.02471	2.5
96.96017	10.0
97.03000	1.3
98.95597	8.2
99.00884	1.9
99.92002	2.6
99.92597	32.0
100.92585	1.7
100.93367	6.2
108.02179	5.6
111.00969	1.5
113.02436	2.0
115.92090	100.0
116.92081	4.4
116.92851	27.0
117.03486	6.5
117.92917	1.7
119.05047	36.4
123.00886	6.2
125.02491	6.5
132.02176	1.7
134.03754	6.5
137.02448	1.7
142.94421	1.8
145.02960	9.1
161.04575	2.1
163.04031	26.2
163.99310	1.3
168.95984	5.7
173.04608	1.6
173.06143	1.5
191.05638	2.3
192.96074	1.9
193.05048	3.4
195.06552	1.5
206.93826	1.5
207.94722	4.3
210.97055	18.8
215.03378	2.1
215.95129	1.8
218.97517	2.5
224.95047	3.3
228.98087	12.7
232.95462	1.7
234.96971	2.7
246.96997	4.0
250.96550	1.6
262.96509	8.7
278.96213	1.7
291.08496	3.2
293.08810	1.9
348.34775	1.3
357.00745	50.3
358.01010	6.4
375.01801	1.8
407.00964	3.1
419.07721	2.8
437.01407	1.8
437.06671	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.9
55.21856	0.8
59.01381	8.1
61.98832	8.8
69.03457	2.5
69.13808	0.8
71.01397	3.7
74.42311	0.8
78.95911	1.2
82.95429	1.3
83.01406	0.9
83.05025	1.1
85.02962	5.7
87.00914	1.1
89.02457	2.8
93.03483	5.0
96.96046	1.4
99.00877	1.6
101.01013	1.1
101.02470	1.5
102.36472	0.9
109.02988	1.7
111.00932	4.4
111.04534	1.1
113.02457	2.4
115.92113	1.9
117.00464	3.8
119.03493	1.1
119.05058	3.8
121.02962	13.8
125.00983	4.2
125.02470	2.1
126.98888	5.2
127.02516	4.2
134.03751	1.6
135.04543	1.1
137.02480	3.8
141.00458	1.9
141.04106	2.2
149.00963	2.6
151.02531	2.5
155.02048	1.0
155.03516	1.2
157.01619	0.8
157.03572	5.8
163.04028	1.4
167.02026	6.5
168.99924	15.4
169.03532	4.3
170.00198	0.9
173.04562	3.3
175.00705	1.0
175.02643	0.9
177.02290	2.5
181.03673	1.1
181.05096	1.2
183.05135	1.6
188.03767	0.9
191.05634	8.2
192.05977	1.2
193.03584	1.7
193.05127	1.7
195.01492	24.3
196.01659	2.6
197.01044	1.0
203.00220	2.2
203.02011	1.1
211.00999	13.3
219.01474	1.5
220.11430	1.1
221.01291	4.4
225.02597	2.6
229.03589	3.2
231.03650	3.2
237.02640	2.1
255.03618	15.9
256.03748	2.1
273.04694	100.0
274.04892	13.4
275.04523	8.7
276.02365	1.5
291.02045	1.3
305.50980	1.0
315.05746	55.4
316.06015	7.1
335.06503	1.6
359.06229	2.7
377.05975	7.8
395.07196	3.6
437.09131	11.0
437.20410	1.2
438.09775	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.9
58.66975	0.4
59.01381	1.5
71.01383	4.0
71.31653	0.7
73.02942	1.5
83.01401	0.5
85.02950	3.2
89.02448	0.8
95.81184	0.5
97.02956	0.5
97.06601	0.6
99.00858	0.6
101.02444	2.7
107.05064	0.7
109.02937	0.6
113.02452	8.7
117.03497	1.1
121.02982	1.3
126.14963	0.4
132.02184	1.9
133.02968	34.1
134.03696	1.4
135.03500	0.9
135.04539	17.6
136.04825	0.7
137.02420	1.0
149.05977	0.4
161.02454	100.0
162.02777	5.1
166.91026	0.4
168.42998	0.4
173.04492	0.6
177.05571	1.0
179.03506	11.7
203.03563	1.2
221.04607	2.2
243.16008	0.4
297.21555	0.4
305.16132	0.4
323.07733	17.3
324.08127	1.4
336.66626	0.5
348.99686	0.5
349.75528	0.4
437.10883	54.0
437.23633	1.7
438.11273	6.4
444.93735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69647	0.4
57.03458	5.4
59.01383	1.8
60.56203	0.3
65.40214	0.3
66.72581	0.3
69.05698	3.6
71.01394	4.8
73.02947	1.1
73.46228	0.4
81.03474	0.4
83.01392	0.8
85.02956	2.9
89.02452	0.7
89.03973	0.6
95.01394	0.5
95.05064	0.4
99.00895	0.4
101.02459	1.7
105.03456	0.5
107.05066	0.6
109.02936	0.5
113.02464	7.3
116.22243	0.4
117.03483	1.1
121.02913	0.7
132.02191	1.8
133.02969	36.7
134.03682	1.6
135.04544	20.5
136.04860	0.6
137.02481	0.6
139.04018	0.5
149.06125	1.1
159.02841	0.5
159.04434	0.4
161.02457	100.0
162.02815	4.1
175.04008	0.9
177.02089	0.4
177.05605	1.8
179.03505	12.5
180.03960	0.5
196.55652	0.3
203.03537	0.7
221.04567	2.3
257.08258	0.4
263.05490	0.7
263.14999	0.6
323.07742	18.0
324.08084	1.2
437.10861	49.3
438.11185	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50633	11.5
59.01378	62.4
61.98831	15.1
69.23937	100.0
71.01382	52.6
82.06370	10.3
85.02971	28.8
85.56854	9.9
87.89658	11.8
89.02467	24.5
94.85836	11.0
97.06599	13.6
101.02447	24.5
115.92110	48.7
119.03539	14.8
135.04599	13.1
144.09563	10.9
145.02989	15.7
161.02473	12.4
173.04578	20.0
177.02046	10.8
190.06471	12.9
203.57832	10.6
219.10246	53.4
294.87827	12.3
305.16006	28.4
347.07758	13.9
407.00449	15.3
437.12137	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	33.1
62.67487	12.3
67.37418	10.6
68.51261	12.1
71.01366	46.3
73.02956	22.9
77.18505	11.0
89.02475	17.0
97.02884	12.4
101.02442	23.5
113.02412	19.8
125.02467	33.3
126.41325	12.4
137.02475	21.4
138.59108	13.3
149.02437	18.2
165.01903	12.2
165.05528	13.9
177.01945	20.0
195.10164	13.0
269.10315	19.9
285.04037	17.5
303.76770	12.8
347.07837	19.6
357.15530	25.3
401.14493	100.0
437.12277	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	33.1
62.67487	12.3
67.37418	10.6
68.51261	12.1
71.01366	46.3
73.02956	22.9
77.18505	11.0
89.02475	17.0
97.02884	12.4
101.02442	23.5
113.02412	19.8
125.02467	33.3
126.41325	12.4
137.02475	21.4
138.59108	13.3
149.02437	18.2
165.01903	12.2
165.05528	13.9
177.01945	20.0
195.10164	13.0
269.10315	19.9
285.04037	17.5
303.76770	12.8
347.07837	19.6
357.15530	25.3
401.14493	100.0
437.12277	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01143	8.4
59.01389	100.0
61.98822	22.9
71.01366	33.4
73.02929	10.8
75.00881	9.9
81.26913	8.4
82.95427	26.5
83.01394	12.9
85.02948	22.9
87.00900	12.1
89.02446	25.3
93.03412	13.0
95.52675	7.0
96.95990	10.7
99.04552	9.2
99.92565	11.1
101.02438	12.8
111.00840	9.0
113.02503	8.3
115.92075	38.2
116.92863	16.4
119.03561	12.9
119.05013	23.6
121.02987	9.6
125.02455	12.4
134.03729	24.6
141.91316	11.5
142.87605	11.2
157.86249	9.9
159.24864	8.7
161.04596	10.8
163.04031	23.0
173.04538	24.9
176.04057	16.6
179.03445	10.3
179.05612	10.8
191.05609	89.8
193.05072	24.7
245.62495	8.2
252.37173	8.4
273.04733	16.4
275.04559	19.0
292.41885	8.9
315.05792	8.7
357.00635	20.4
375.06900	18.7
377.05548	21.4
377.14273	17.6
382.36847	10.6
437.10791	21.5
437.15909	42.0
440.25317	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	17.8
59.01386	100.0
59.34833	13.2
60.27749	13.4
61.98839	28.7
63.94631	11.7
69.21378	13.6
69.33715	31.6
69.34126	78.8
69.94157	12.5
71.01382	62.5
73.02937	20.2
85.02945	48.7
89.02463	37.1
93.03474	38.7
98.22433	29.9
101.02460	27.0
109.02956	17.8
111.00877	22.3
111.04510	13.4
113.02450	28.4
113.93726	13.2
115.92096	47.1
119.04982	15.7
122.68798	17.3
125.02467	19.9
125.25303	15.9
133.36165	12.6
134.03807	22.2
137.02477	18.1
151.04059	14.8
157.86218	14.8
161.04655	16.9
163.04019	22.5
173.04601	31.2
191.05518	17.6
193.05051	25.2
199.63916	13.7
215.09363	22.0
257.08160	29.0
275.05338	17.1
357.00381	17.1
401.01190	26.0
437.15875	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	13.1
59.01384	100.0
69.22906	99.5
71.01385	76.7
73.46072	14.6
85.02959	22.5
85.06565	12.2
88.19125	11.5
89.02470	44.4
93.03439	15.5
96.96041	66.7
98.21818	28.9
101.02442	35.6
109.02979	25.6
113.02489	46.5
114.02734	15.1
115.92071	35.8
116.92900	14.9
119.03513	28.4
119.05041	15.5
125.06110	44.4
125.47778	11.8
131.07169	16.8
139.11334	16.9
161.04579	36.8
191.05621	81.3
201.11363	99.6
231.10217	41.1
263.09247	17.4
275.05933	15.1
275.14908	31.3
305.16348	13.7
308.52579	12.2
357.00732	22.4
401.18079	27.2
437.15744	80.7
437.25113	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	2.3
59.01377	7.7
59.64664	1.7
61.98836	86.3
69.03432	2.4
69.15419	5.8
69.15838	9.4
71.01373	6.7
72.99322	2.2
73.02950	20.7
76.56553	1.7
81.03453	2.6
83.05023	7.6
85.02957	3.7
89.02494	2.1
93.03466	50.6
96.32586	1.6
96.95993	1.9
98.21749	3.6
99.00887	8.9
99.04535	5.3
101.02391	2.0
111.00893	5.2
111.04521	19.9
117.00506	2.2
119.05019	5.4
121.02953	6.4
124.05473	1.6
125.00960	5.1
129.01942	2.1
137.02429	18.0
143.03513	5.7
155.03488	10.5
157.03639	3.5
163.04042	2.4
167.02019	4.4
167.07156	5.8
168.99887	7.4
173.04564	100.0
174.04903	2.9
191.05562	3.6
193.05061	3.3
195.01501	11.0
197.01314	2.0
197.08289	2.5
203.00195	4.4
203.01981	1.9
211.00967	7.5
231.03268	2.0
255.03598	7.4
271.04724	2.0
273.01746	3.6
273.04663	37.1
274.04947	4.1
275.04550	2.8
315.05737	21.4
316.05685	2.3
359.02734	2.2
376.98022	2.0
377.05255	5.6
437.08493	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.7
59.01094	2.9
59.01387	53.7
69.13052	9.1
69.13486	8.4
71.01386	40.5
72.99306	2.6
73.02948	15.7
75.00869	3.5
83.01424	2.1
85.02976	12.6
87.00892	2.0
89.02450	70.2
95.01386	4.6
98.22552	4.5
99.00890	51.3
101.02473	15.9
110.19127	2.1
113.02457	29.4
114.57645	2.1
119.03471	2.9
125.02451	4.4
131.03500	15.2
143.03494	4.1
143.10782	100.0
144.11081	2.6
149.04570	53.3
154.44305	2.0
155.10756	3.9
160.01639	3.8
161.04601	9.9
161.05746	1.7
173.04555	5.5
185.11813	8.9
191.05592	17.2
215.12836	5.0
227.12910	6.6
233.06522	10.5
257.08231	4.6
275.16348	1.8
293.08810	7.4
340.07855	2.4
437.14359	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.203
Annotation	Ebracteatoside D
Peak:m/z	Relative Intensity
55.01885	0.3
57.03429	0.2
58.00591	0.5
59.01380	11.3
69.02506	1.4
69.03466	0.7
71.01384	14.2
72.01720	0.2
72.99305	0.4
73.02951	0.8
81.03457	0.5
83.01388	0.5
85.02959	1.5
87.00883	0.3
89.02451	16.8
90.02767	0.3
93.03466	0.2
95.01398	0.3
97.02957	1.0
99.00903	0.5
101.02451	3.9
109.02962	0.2
113.02457	2.6
119.03516	0.6
120.97092	0.2
121.03023	0.2
125.02455	7.0
126.02763	0.1
131.03502	3.2
135.04486	0.1
143.03568	1.0
143.10785	100.0
144.11130	3.8
144.12273	0.1
149.04570	3.4
157.03238	0.1
161.04582	0.7
168.27577	0.2
173.04610	0.2
191.05646	0.9
219.10301	0.2
233.06657	0.8
246.19118	0.1
293.08801	3.0
294.09180	0.2
343.07217	0.4
437.20169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2315
Annotation	Isovouacapenol C
Peak:m/z	Relative Intensity
55.11608	24.1
59.01384	52.4
61.98817	30.8
64.49979	24.9
66.86687	23.7
71.01400	55.8
72.97793	24.7
75.27010	23.9
75.72777	28.2
85.02959	32.6
96.96035	100.0
101.02464	38.0
126.33000	24.9
153.96399	26.5
153.97685	25.8
209.11784	34.7
305.19696	55.0
316.19949	25.4
342.50192	28.0
399.20453	37.9
437.22815	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20678	0.1
55.01883	5.4
57.03451	4.1
58.00593	1.4
58.74852	0.2
59.01384	35.7
60.01700	0.4
63.45993	0.2
67.01891	0.2
68.99826	0.4
69.03470	1.4
70.68105	0.2
71.01388	47.6
72.01717	0.6
72.99319	2.4
73.02953	23.6
74.03300	0.4
75.00874	0.7
81.03450	0.6
83.01395	18.6
83.05017	0.2
84.01714	0.3
84.02184	0.3
85.02959	27.0
86.00111	1.3
86.03287	0.4
87.00884	3.2
87.04510	0.3
89.02451	6.0
90.02791	0.2
95.01400	3.4
97.02954	2.1
99.00889	8.5
99.04514	0.4
101.02451	58.5
102.02796	1.0
103.04038	2.4
111.00909	1.3
113.02460	18.9
114.02781	0.5
115.04026	0.7
119.03522	2.3
125.02453	2.8
127.04053	0.5
127.11314	0.7
129.01944	1.4
129.12811	0.5
131.03502	0.5
141.01915	0.3
143.03514	2.8
145.05099	1.0
159.03000	3.9
160.03357	0.2
161.04570	23.0
162.04900	0.6
163.06154	1.7
169.05028	0.2
171.13950	0.2
173.11821	0.3
189.76306	0.2
199.13391	0.7
205.03603	0.5
205.07126	0.4
229.07155	1.3
247.08186	1.8
273.17099	0.2
291.18146	100.0
292.18521	6.5
321.92239	0.2
326.56754	0.2
335.16998	0.6
381.99646	0.2
437.23944	26.4
438.24286	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
61.22568	74.8
78.67954	71.6
102.27477	73.3
119.26975	74.8
120.88914	77.0
144.41248	75.4
186.94740	76.2
193.06361	70.4
234.33815	94.5
374.15857	100.0
455.40878	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
71.72021	77.1
93.57492	74.0
131.68190	72.5
135.18375	69.1
147.35826	72.5
152.99611	70.0
202.39012	100.0
212.35059	80.1
278.64175	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3063
Annotation	Salacenonal
Peak:m/z	Relative Intensity
59.98510	0.9
69.09850	1.2
69.10265	3.2
78.63873	0.4
83.05021	0.7
85.07009	0.4
92.68250	0.4
104.17179	0.4
119.83456	0.4
133.60765	0.5
138.06880	11.0
144.75923	0.4
161.20918	0.5
245.87985	0.4
350.38419	0.4
379.26456	7.8
380.26770	1.3
437.30627	100.0
438.30942	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3064
Annotation	Salacenonal
Peak:m/z	Relative Intensity
57.03463	1.7
59.01382	0.4
59.98526	1.8
63.49434	0.3
69.08424	1.6
69.08858	1.8
83.05032	0.9
84.09830	0.4
93.77098	0.3
99.71078	0.3
101.37842	0.4
111.04511	1.2
125.06076	0.4
138.06880	7.8
153.05566	0.5
158.95131	0.3
165.45769	0.4
215.95758	0.3
308.81293	0.3
332.19751	0.3
335.27594	0.6
360.00674	0.3
379.26416	1.0
415.76624	0.4
437.30621	100.0
438.30966	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59266	7.8
63.74061	6.9
64.15266	8.7
70.59288	15.6
99.62684	7.4
134.17883	9.3
177.93414	9.8
180.54305	7.0
205.81802	8.2
278.17850	7.5
349.34827	100.0
393.33734	88.6
394.34085	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19892	2.9
62.95459	3.5
68.99716	24.3
78.95916	26.2
85.63197	2.9
90.05657	2.7
121.79662	2.4
123.08195	4.6
136.05278	4.4
151.07669	19.5
152.99603	35.2
242.33592	2.5
279.41083	2.8
285.60971	2.8
296.69907	3.0
300.96552	2.9
345.31580	6.0
347.33176	6.5
349.34769	92.1
350.35226	14.4
363.32678	10.4
375.36200	4.4
393.33435	100.0
393.37473	17.5
394.33899	11.8
437.26599	4.4
437.36719	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
61.81954	0.9
61.98831	100.0
63.92907	0.9
69.34946	4.3
78.95921	1.7
92.98009	0.8
96.95997	0.8
96.96957	1.3
112.16374	0.9
113.81878	0.8
123.04517	1.1
125.02457	2.7
130.45824	0.7
151.04016	1.1
161.02415	2.0
215.29713	0.7
285.04196	0.8
289.07324	1.3
301.03644	1.0
315.49039	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	37.7
61.98802	7.0
64.63604	6.7
71.01393	46.5
71.30434	12.6
73.02957	14.8
83.01398	18.3
85.02969	20.3
89.02479	14.8
93.50008	7.9
96.96029	17.6
101.02441	53.4
113.02479	27.8
119.03536	6.6
125.82227	6.8
137.05840	6.5
154.37469	8.3
161.04611	10.2
166.87611	6.5
169.46571	7.6
177.95743	7.3
191.05669	11.1
193.63745	9.0
249.13425	72.5
358.14197	7.2
392.23618	10.4
394.91287	7.0
395.19302	100.0
396.19601	10.7
403.74765	8.2
439.10931	8.0
439.17026	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78872	13.9
59.01376	36.4
71.01387	27.5
89.02460	31.8
93.03487	22.4
97.02962	19.0
98.22188	100.0
147.08151	31.2
163.66399	14.8
189.09221	44.8
239.40459	13.2
250.30650	16.7
255.41472	15.6
343.01038	21.2
431.15244	16.8
439.13470	28.9
439.18094	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	51.0
60.10614	13.1
69.19947	100.0
71.01369	25.6
79.52367	15.1
85.43391	15.3
89.02460	32.9
91.42555	14.2
96.96014	45.8
98.22551	32.8
102.12269	15.8
151.74500	16.1
287.14548	15.3
304.19370	18.4
305.11725	14.3
438.29681	19.4
439.10770	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01348	11.9
62.51230	11.8
69.19016	100.0
69.45459	14.8
71.01363	30.0
81.76331	15.2
85.02919	23.2
90.32863	13.0
101.02437	30.8
113.02479	20.8
148.75038	14.0
161.04535	20.7
162.61540	13.1
395.20624	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06127	64.5
84.00921	14.2
106.30456	7.2
133.49063	8.1
205.54588	8.8
233.15489	100.0
272.51743	8.1
275.38434	8.7
383.75186	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.7
62.43681	0.7
64.19624	0.7
76.90672	0.6
78.95911	48.6
90.99902	0.7
96.96087	3.1
96.96971	100.0
97.72398	0.7
125.33159	0.8
132.48956	0.7
135.44958	0.7
180.45067	0.6
191.05618	2.2
209.06700	0.7
241.85878	0.7
341.10815	1.1
402.53549	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.5
62.45279	0.3
69.11676	1.3
69.12100	1.6
71.01376	0.5
73.75003	0.3
75.13805	0.3
79.95742	10.5
95.95207	2.2
96.35844	0.4
96.96020	100.0
104.69193	0.3
109.02969	0.4
110.97589	11.1
121.02982	0.8
121.37709	0.4
130.92303	0.4
135.04478	0.6
147.37633	0.4
175.04185	0.4
179.07549	0.4
259.02710	0.5
260.03583	0.8
269.08151	3.4
273.04199	0.4
277.11111	0.4
283.09781	0.8
299.09399	2.4
300.09735	0.8
311.09229	1.2
314.11649	8.0
315.12234	1.6
326.11530	1.7
329.13940	3.8
341.13638	0.9
393.06757	0.5
394.07343	3.3
408.08481	0.5
409.09641	11.7
410.10120	1.0
421.09821	2.1
439.10721	66.1
440.11108	7.3
462.81952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62275	0.5
58.62594	0.5
59.01375	1.4
64.91332	0.4
71.32233	0.7
74.62437	0.4
79.95746	25.3
80.21188	0.5
80.57886	0.5
80.96532	1.0
93.03515	0.5
95.95245	13.4
96.96020	71.7
105.60821	0.4
109.02898	0.5
109.27640	0.6
110.97584	5.9
113.02369	0.5
117.03477	1.2
119.05027	1.1
121.02951	0.8
131.07159	2.2
136.99181	5.1
137.02473	0.5
138.02757	0.6
141.95778	1.3
145.02975	4.6
150.46846	0.5
163.04080	1.0
165.05537	1.1
167.00209	31.5
168.00545	0.7
177.05563	0.6
205.05373	0.5
211.13666	0.5
257.01273	0.7
285.04416	2.1
293.12393	3.8
301.03964	1.4
424.08344	1.9
439.10718	100.0
440.11099	10.5
440.65234	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26435	1.4
52.55161	1.3
56.80491	1.3
57.03451	3.3
58.00597	1.3
59.01092	2.5
59.01384	48.9
68.40833	1.4
69.94106	1.3
71.01379	19.1
71.04052	2.8
72.99303	1.6
73.02950	16.1
79.64323	1.4
83.01385	4.0
85.02956	10.5
85.06593	11.3
85.65183	1.2
87.00889	6.2
87.04514	3.0
89.02460	11.6
90.32563	1.5
90.89561	1.3
99.00874	2.8
101.02448	20.3
103.04011	3.6
113.02468	7.7
113.06123	2.4
115.04025	6.3
115.07655	2.1
119.03480	2.5
120.94331	1.3
125.02460	6.4
131.03508	21.9
131.07149	43.0
143.03490	9.8
145.05107	1.6
149.04610	3.3
151.04039	2.9
161.04558	4.5
163.06128	2.4
178.99933	1.4
205.07207	7.5
209.53996	1.4
247.11893	29.9
275.14679	1.6
289.06918	1.8
379.16266	5.0
439.18222	100.0
440.18509	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1977
Annotation	Garajonone
Peak:m/z	Relative Intensity
55.01862	0.6
57.03453	0.6
58.00598	0.9
59.01384	18.2
66.42888	0.5
71.01385	10.3
72.99297	0.5
83.01408	1.0
85.02953	2.8
87.00881	1.4
89.02451	7.5
95.01399	1.2
96.96008	1.4
97.06586	2.0
98.21803	1.9
99.00862	0.7
101.02444	6.7
103.04095	0.5
111.00842	0.8
113.02449	3.8
119.03511	3.9
122.03777	0.5
131.03528	0.5
135.04610	0.8
136.46501	0.5
146.03703	0.7
147.04539	2.8
150.77873	0.5
159.04536	4.6
161.06094	4.7
164.79224	0.4
169.47807	0.5
172.05252	0.6
173.06044	1.1
174.03345	0.6
175.04045	4.1
175.07631	3.5
185.06113	0.9
186.06889	3.8
187.07651	3.1
188.04831	1.8
189.05597	5.3
189.09169	1.9
190.06203	0.8
201.09142	0.6
203.07156	4.6
203.10756	0.6
204.07910	7.5
205.08527	0.6
215.10799	1.2
221.11942	1.2
229.06340	0.5
230.09503	1.5
248.10573	4.2
249.11230	0.8
249.14983	2.8
259.13345	2.9
277.11371	0.9
277.14450	13.0
278.14819	1.7
291.34784	0.6
401.08762	0.5
410.15878	7.3
411.20404	1.1
429.93115	0.5
439.19745	100.0
440.20096	12.8
446.21799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.0
57.03459	5.7
58.00604	2.6
59.01385	62.7
60.04166	2.0
61.51855	2.1
63.83570	2.3
71.01385	100.0
72.99306	2.8
73.02945	30.2
79.95741	10.4
83.01404	20.9
85.02958	48.2
87.00877	7.1
89.02467	15.8
95.01399	10.0
96.96029	9.5
97.02959	8.1
97.25138	2.4
99.00884	14.8
101.02455	90.7
109.23842	2.2
113.02469	46.1
119.03513	7.4
125.02460	8.3
131.03505	2.1
143.03546	5.4
148.09209	2.4
159.03015	7.1
161.04562	39.4
175.07610	2.8
223.36896	1.9
266.00916	2.5
277.16574	67.2
278.17004	5.7
321.15475	2.9
329.14050	7.0
341.03580	2.3
439.05829	3.0
439.11096	18.3
439.15790	4.2
439.21841	73.6
440.10660	2.9
440.22235	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.0
57.03453	6.6
58.00593	4.0
59.01384	55.5
63.15374	2.2
69.03414	2.4
69.08738	22.3
70.57552	2.4
71.01385	100.0
72.68614	2.1
72.99303	6.1
73.02951	25.4
75.00873	2.8
79.95744	18.1
81.68855	2.2
83.01392	20.4
85.02953	51.1
87.00872	3.7
89.02461	20.7
95.01397	7.4
95.95232	3.5
96.20628	2.1
96.96024	38.4
97.02960	4.4
99.00898	16.9
101.02451	88.4
102.02789	2.1
113.02459	46.6
116.91496	2.1
119.03536	4.4
119.04991	4.1
125.02466	6.9
133.06618	4.4
137.02451	3.2
140.86569	2.7
143.03563	6.0
146.03725	3.0
154.14601	2.2
159.03004	8.6
159.04495	3.9
161.04572	39.0
172.82791	2.3
173.06078	3.4
174.06665	2.9
175.07608	14.5
179.05630	3.9
187.07661	5.7
188.04889	2.6
188.09718	2.5
189.05582	3.2
189.12878	5.3
191.05640	5.2
203.07173	8.8
204.07881	6.2
211.56502	2.2
213.09174	2.6
215.07048	2.9
215.10834	2.6
217.08713	7.9
218.09460	8.9
233.11894	7.3
259.13464	2.4
277.10992	4.4
277.16623	57.0
277.33731	2.5
278.16895	2.8
307.13199	3.5
307.17572	3.3
323.13004	2.5
349.20053	3.8
351.16028	15.2
439.10773	34.1
439.16232	4.2
439.21848	61.8
440.10834	3.1
440.22015	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03006	0.6
51.56950	0.6
55.72641	0.5
57.03447	1.2
63.91507	0.6
70.05672	1.0
70.06032	2.5
83.05031	0.8
95.05042	0.9
99.04530	1.3
107.05065	3.1
109.06599	20.2
110.06894	0.9
119.38696	0.6
138.06897	1.5
139.07674	0.8
196.53725	0.8
213.12796	0.8
241.15878	0.9
313.21878	1.0
321.22260	2.0
335.23917	0.8
341.21167	0.7
351.23251	0.8
351.26886	4.3
395.25928	100.0
396.26300	11.9
400.82855	0.8
439.25195	9.5
440.25510	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2494
Annotation	Scopadulin
Peak:m/z	Relative Intensity
59.01385	50.9
135.08266	2.0
135.75917	2.0
138.06906	6.4
184.58691	1.7
217.05115	4.3
231.06651	3.2
325.96344	2.3
335.23926	18.1
377.24860	29.7
378.25198	4.1
379.22809	71.4
380.23199	7.2
395.25769	3.4
421.24179	3.9
439.24988	100.0
440.25516	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3221
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
58.83706	0.9
93.18375	0.9
99.92590	1.6
101.90012	0.9
422.53928	1.0
439.32193	100.0
440.32489	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50090	2.9
69.25721	18.9
77.80148	2.8
81.89182	3.0
87.29378	3.0
118.48406	2.8
126.19231	2.8
217.14479	3.4
251.04314	2.8
260.80139	2.8
349.34747	28.7
350.34857	4.2
395.35364	100.0
396.35721	13.7
439.32001	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	15.9
64.73573	5.8
70.23929	14.1
71.76939	5.8
84.00916	14.7
98.22030	10.8
198.19501	6.6
235.13394	100.0
236.13756	8.3
440.17877	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	15.9
64.73573	5.8
70.23929	14.1
71.76939	5.8
84.00916	14.7
98.22030	10.8
198.19501	6.6
235.13394	100.0
236.13756	8.3
440.17877	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22333	12.9
57.03430	12.0
59.01382	100.0
70.79620	12.5
71.01384	91.7
71.31521	18.2
73.02928	16.2
79.95744	39.9
85.02960	25.7
89.02448	45.2
96.96024	91.1
97.02980	18.3
101.02446	60.2
113.02468	22.3
119.03526	27.9
119.05022	16.9
125.02534	16.8
145.02997	27.3
161.04614	31.3
163.04088	14.1
167.00240	26.0
191.05644	34.1
203.53143	13.5
235.13527	18.0
279.12469	17.7
279.63669	13.4
293.12402	18.8
294.12607	21.0
396.18930	17.5
405.21692	15.9
422.16925	23.7
440.10944	75.4
440.17795	54.6
441.17792	31.2
441.23355	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
71.38802	24.7
81.75649	24.2
85.02935	37.5
87.96558	26.2
98.21912	100.0
100.48099	23.2
101.02433	33.4
160.98337	27.5
161.46774	28.0
174.31552	23.1
322.54279	26.1
440.18127	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77870	37.9
51.03355	44.0
59.01374	75.1
64.97544	36.4
71.01372	88.2
76.57633	44.0
83.10850	42.8
97.09605	38.2
101.02477	66.8
125.02442	45.1
128.99269	40.7
129.04823	38.4
161.04509	86.5
196.02989	43.7
244.56194	47.3
397.22180	100.0
429.80414	43.8
441.18750	63.6
442.72806	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77499	5.5
59.01377	8.6
59.84435	5.2
61.68666	5.1
61.98835	7.5
65.34343	4.7
69.56903	4.9
71.01358	8.4
71.26790	4.4
82.16248	4.7
84.63675	5.8
85.03005	4.9
89.02444	6.3
91.01907	17.8
96.09286	5.6
98.21777	9.6
109.02971	19.8
128.82448	5.1
135.00899	100.0
148.64270	5.5
153.01979	69.7
158.24550	5.5
161.02419	6.4
161.04541	7.4
186.15758	5.7
208.20975	5.8
216.54620	6.1
243.06575	13.4
249.66019	5.2
286.09399	6.4
297.06155	17.6
307.89169	5.4
330.91479	5.1
405.11981	48.6
440.18781	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94325	0.5
69.14914	4.3
72.91742	0.6
79.95742	27.4
80.96503	0.8
95.95240	21.2
96.96019	73.5
98.21872	1.0
99.88879	0.5
110.97579	7.9
121.02973	1.0
134.10339	0.5
136.99146	4.3
141.95808	1.0
165.05568	1.4
167.00206	40.7
179.07227	0.6
235.25406	0.5
273.04501	0.8
287.05978	1.3
303.05508	1.5
361.16608	1.1
368.21460	0.5
395.07983	0.8
409.20505	0.5
426.10016	2.8
441.12259	100.0
442.12573	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.7
55.30079	0.8
57.03456	2.3
58.00601	3.5
59.01384	100.0
61.94852	0.7
67.01897	0.9
69.43643	3.6
71.01389	58.0
72.01717	0.8
72.99316	3.8
73.02957	4.0
76.26999	0.8
83.01411	3.4
85.02959	11.5
87.00897	3.2
89.02455	56.2
95.01413	4.1
95.05051	1.1
97.02999	1.0
99.00895	1.7
99.04557	0.9
101.02454	37.7
107.05073	1.3
109.02969	9.7
109.06600	1.2
113.02464	21.7
114.33397	0.7
119.03516	27.9
119.04355	1.6
121.06613	1.4
122.03777	1.9
123.04513	0.7
124.05347	1.8
125.02474	1.5
131.03546	1.5
133.06596	11.7
137.06117	2.0
139.07661	18.6
143.03529	3.5
149.04678	1.9
149.06078	3.6
151.07681	1.3
157.10254	0.8
161.04556	9.6
163.07599	1.1
169.08736	1.6
179.05586	4.6
187.11293	1.6
191.05724	0.8
200.56123	0.8
202.10031	1.0
204.11607	1.4
205.12344	5.9
217.12375	4.3
222.97675	0.7
235.13420	2.8
239.82875	0.7
249.13535	1.3
261.11353	2.2
304.49014	0.9
330.13229	23.5
331.13962	12.4
379.17813	0.9
397.18677	6.7
398.18439	1.0
423.16714	1.1
441.17712	62.7
442.18195	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.6
57.03448	2.3
58.00589	4.1
59.01384	100.0
61.73113	1.5
63.30211	1.1
65.19509	1.4
69.39022	7.5
69.39367	1.4
71.01387	58.0
72.99304	4.2
73.02952	2.6
73.06824	1.1
83.01405	2.7
85.02948	13.1
87.00874	2.5
87.01951	1.1
87.88375	1.1
89.02451	55.0
91.20531	1.0
95.01413	3.8
97.02975	2.7
101.02451	39.7
105.98372	1.3
109.02963	20.5
113.02463	21.9
114.31344	1.1
119.03512	27.1
121.06608	2.6
122.03762	1.7
128.54257	1.2
128.77545	1.3
131.03506	4.0
133.06584	1.5
133.09406	1.5
135.08177	2.5
139.07652	4.8
143.03510	2.3
149.04604	1.9
149.06068	4.2
161.04549	4.1
179.05618	4.4
184.08876	1.3
187.11270	3.7
199.11142	1.5
202.10040	5.5
204.11493	2.4
205.12367	13.0
214.10551	1.1
217.12320	14.5
218.12750	1.5
235.13470	7.0
249.13449	5.0
261.11337	15.4
330.13016	2.4
331.13745	2.2
375.22177	1.1
377.13913	1.3
379.17645	2.5
397.18710	20.4
398.19012	2.3
441.17703	39.7
442.17892	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15867	1.1
55.01875	2.1
56.12329	1.0
57.03436	3.0
58.00593	5.1
59.01385	100.0
60.01724	1.5
69.41855	1.5
69.42253	6.3
71.01389	62.8
72.01732	1.2
72.99313	4.1
73.02945	4.0
83.01394	3.1
85.02966	13.7
87.00866	3.4
89.02455	61.0
93.03443	1.2
95.01383	3.5
95.05066	1.2
96.96061	3.1
97.02951	2.3
98.21698	1.2
99.00894	2.0
99.04527	1.3
101.02453	41.5
104.93152	1.2
109.02971	9.6
109.06644	2.2
113.02461	26.2
116.92597	1.1
119.03519	32.4
119.63981	1.1
123.89849	1.1
124.05344	1.2
125.02454	1.3
131.03510	1.6
133.06616	16.3
134.06929	1.5
136.05373	1.0
137.06105	2.6
139.07686	15.1
143.03505	3.4
149.04581	3.2
149.06100	3.6
150.06926	1.3
161.04605	8.4
169.08722	1.8
179.05664	5.2
187.11235	1.8
193.05002	1.2
197.21341	1.2
202.10034	1.8
204.11746	1.7
205.12364	4.6
217.12328	4.9
235.13397	3.9
261.11383	2.6
279.12628	1.8
330.13229	30.2
330.17194	1.5
331.13950	16.2
397.18857	5.4
419.21204	1.1
441.17694	72.2
442.17947	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.8
59.01387	54.2
71.01385	30.8
71.31641	5.7
73.02943	6.7
76.10264	3.2
79.95744	9.7
81.72256	3.2
84.02161	2.9
85.02956	9.7
87.00906	3.6
89.02460	27.7
94.76932	3.0
95.95233	6.6
96.96027	28.6
100.03554	2.8
101.02464	25.5
109.02995	4.0
113.02472	10.4
119.03491	11.8
121.06621	6.7
130.33672	3.0
131.03528	5.3
134.16309	3.1
135.04471	4.5
141.24614	3.3
147.08183	3.5
147.37917	3.0
149.04594	3.8
151.07675	23.1
152.91742	3.2
161.04518	7.1
167.00221	9.0
173.09721	5.8
179.05627	10.4
179.07118	5.3
184.08897	6.0
187.11386	3.3
189.12875	8.5
199.11354	5.2
201.09285	7.2
202.10004	6.0
210.89359	3.0
215.10918	4.0
217.12331	53.5
225.37372	3.3
235.13358	17.1
261.11481	4.4
263.14990	16.1
279.12350	28.7
315.53409	3.2
336.70474	3.2
395.19360	18.2
438.47409	3.0
441.12131	31.0
441.17697	100.0
442.12363	4.2
442.17947	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28672	7.0
57.03452	24.2
59.01380	36.9
61.98831	11.4
69.04730	36.6
69.05165	42.8
71.01373	34.4
75.00885	14.1
83.01388	10.9
85.02940	13.3
87.00903	11.3
89.02465	19.9
93.03471	9.6
96.96015	9.8
96.96975	10.9
99.00897	12.6
101.02451	23.3
108.02219	7.0
109.02966	24.7
113.02449	20.7
119.05048	19.8
123.04484	14.0
125.02441	100.0
126.02773	14.8
128.03575	11.7
137.02486	16.0
143.04678	11.2
151.03929	18.4
152.01129	8.7
153.01912	12.6
158.15492	6.6
159.04424	8.6
161.02457	23.2
161.06021	8.5
163.03998	19.3
164.04794	14.1
167.03516	28.7
173.04613	14.1
175.03947	8.8
177.01933	10.7
179.07181	20.1
186.76283	8.5
191.05571	9.4
217.08549	7.9
233.08165	9.7
243.02901	11.9
253.18460	8.5
279.08899	13.1
289.07306	19.9
303.20831	9.8
393.14532	8.2
403.12665	10.6
434.67715	8.2
441.18753	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.3
55.20451	1.5
57.03445	3.4
59.01381	100.0
61.98830	4.5
71.01387	40.5
73.02958	11.9
83.01395	7.9
85.02955	21.0
87.00890	1.6
89.02454	16.4
95.01405	2.3
99.00896	5.4
101.02442	40.9
109.02948	3.0
113.02452	20.2
119.03505	6.2
119.05055	3.8
120.99702	1.8
125.02451	5.8
131.03510	38.7
139.07658	2.8
143.03494	2.4
159.02962	3.4
159.86235	1.5
161.04564	15.4
163.03967	2.8
202.09987	2.7
217.12326	4.3
235.13245	2.1
249.13440	97.8
250.13791	4.1
266.22330	1.6
289.49905	1.4
330.13187	5.0
331.13928	2.4
381.17657	18.6
382.18082	1.5
397.18597	1.7
441.17911	16.3
442.18201	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20181	1.7
55.01883	3.8
57.03449	2.7
59.01384	82.2
61.98833	23.7
65.03640	1.8
69.38446	9.5
69.38851	3.7
71.01385	30.2
72.99284	2.2
73.02959	10.8
83.01387	8.9
85.02950	17.0
87.00851	3.2
89.02454	7.5
95.01408	3.0
99.00903	6.8
101.02451	38.5
101.23145	1.9
113.02459	12.1
113.17249	1.6
119.03487	2.5
125.02461	6.1
130.08728	2.3
131.03510	41.7
139.07686	4.3
151.07655	2.8
154.10216	1.7
155.10722	2.6
159.03000	3.0
161.04558	12.7
161.05806	2.5
187.11382	2.6
199.09776	3.4
217.12363	6.3
235.13406	3.4
249.13448	100.0
250.13931	4.5
279.12222	5.9
295.10440	2.9
379.16394	2.8
381.17618	17.6
381.44913	2.3
441.17935	8.7
441.23087	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54642	1.3
55.01877	3.7
57.03455	3.2
59.01384	95.0
61.98826	4.8
67.32444	1.4
70.65098	2.1
70.65431	2.5
71.01388	34.9
72.99323	2.7
73.02959	9.1
75.00889	2.3
75.23581	1.3
82.20587	1.5
83.01397	6.6
83.05045	1.3
84.05244	1.4
85.02953	19.4
87.00891	1.9
89.02464	14.8
95.01379	3.0
96.92839	1.3
99.00897	5.4
101.01811	2.9
101.02448	35.9
108.45872	1.4
109.02900	1.4
111.00873	1.6
113.01709	2.4
113.02451	19.1
116.92909	1.3
116.93752	1.2
119.03524	6.3
119.05006	1.9
125.02443	3.1
131.03510	41.2
133.06595	2.8
137.02496	1.6
139.07655	3.2
139.98151	1.3
140.54614	1.5
143.03564	1.9
147.04544	1.5
159.02951	2.2
161.04546	12.0
163.03986	1.6
173.04495	1.7
191.03436	1.8
202.09978	1.6
213.67099	1.4
214.25804	1.2
217.12273	2.6
249.13440	100.0
250.13786	6.3
279.12219	1.5
330.13184	3.7
353.09033	1.9
381.17633	22.8
382.17993	2.5
441.17807	14.2
442.18536	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15894	0.5
57.03450	1.8
58.03819	0.5
59.01374	0.6
61.78392	0.5
62.91937	0.5
83.05022	1.0
83.64793	0.5
95.05027	2.0
97.06594	0.8
98.21822	1.3
99.04542	3.3
109.02945	1.9
121.03020	1.1
121.06538	0.6
122.03752	10.1
123.04523	0.8
124.01645	1.2
135.04543	1.8
137.02443	2.3
138.03217	1.3
138.06853	0.7
139.03984	0.8
141.26495	0.6
148.05263	0.6
149.06078	4.8
153.05602	0.6
154.02612	1.2
159.04532	1.4
161.02498	2.4
162.03244	3.0
163.03987	2.3
163.07669	0.7
164.04791	5.0
165.05499	0.6
172.05246	1.0
174.03253	1.3
175.04041	5.6
176.04755	4.1
177.05559	3.5
177.09157	1.1
178.06380	1.3
186.06940	0.7
187.04024	0.7
187.07626	2.3
188.04785	4.7
189.01923	0.7
189.05602	7.9
189.09142	0.6
190.02733	6.8
190.06348	5.7
191.07143	9.2
192.04283	1.6
192.07948	2.6
199.07481	0.6
201.05481	1.6
202.06322	0.7
203.03490	4.3
203.07104	3.5
204.04303	4.7
204.07837	1.8
205.05043	1.1
205.08710	5.3
205.12292	0.6
214.09929	0.7
215.07199	2.5
215.10818	2.5
216.07729	1.0
217.05145	1.0
217.08702	10.5
218.05803	1.4
218.09334	0.9
219.06631	18.4
219.10196	1.9
220.07010	1.5
231.06641	0.8
231.10237	1.9
232.07401	5.2
233.08316	2.9
233.11821	7.5
234.08879	0.8
234.12260	0.6
243.10204	2.1
243.13957	0.6
243.30627	0.6
245.11842	1.0
247.09787	1.5
257.19125	1.2
260.10455	1.0
261.11295	11.7
261.14856	2.0
262.11539	1.4
269.19009	0.6
271.13431	1.3
275.12921	1.5
279.06482	0.5
289.14343	3.3
321.22467	0.6
329.13788	1.1
331.15366	1.0
339.23309	6.6
340.23630	1.1
343.15601	2.5
344.16077	1.1
351.16061	0.6
354.14767	1.8
368.16354	3.4
369.16995	3.8
370.17783	1.3
379.19354	0.8
379.26385	0.7
380.19711	0.6
381.16974	0.7
381.26166	0.5
382.13702	0.8
382.17993	1.2
383.18466	22.9
383.22424	3.2
384.18658	2.5
395.18503	0.5
397.16309	3.7
398.16342	0.6
398.21109	2.9
405.24579	0.8
409.20200	1.8
411.18237	1.1
412.18982	5.7
423.25415	3.3
426.20490	12.8
427.20673	1.8
441.22760	100.0
442.23065	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02941	0.4
56.36127	0.4
69.12112	0.8
69.12517	3.7
97.06599	0.5
109.02952	2.1
121.02973	0.7
122.03756	5.6
123.04520	1.0
124.01688	1.0
135.04526	1.5
137.02406	2.6
138.03236	0.9
139.04002	1.3
148.05316	0.5
149.02377	0.6
149.06055	3.3
150.03214	0.6
151.04001	0.8
154.02698	1.3
159.04506	0.9
161.02419	1.9
162.03212	8.0
163.04025	2.9
163.07593	0.6
164.04791	3.5
173.06076	0.6
174.03278	1.3
175.04045	6.0
176.01326	0.6
176.04767	2.2
177.01874	1.5
177.05554	3.1
177.09265	1.2
178.02666	0.8
178.06320	0.9
187.03993	1.3
187.07625	1.4
188.04828	2.3
189.01979	1.1
189.05586	6.5
190.02721	4.9
190.06334	3.0
191.03455	0.7
191.07146	6.2
192.04286	0.6
192.07831	1.8
201.05562	1.2
202.06261	0.6
203.03502	2.2
203.07124	2.4
204.04268	4.4
204.07866	2.0
205.05162	1.1
205.08714	10.9
206.09435	2.6
215.07208	2.4
215.10722	0.7
216.07858	1.5
217.05040	1.7
217.08708	5.8
218.05753	0.9
218.09253	1.0
219.06635	7.9
219.10204	1.3
220.06956	0.5
231.10165	1.0
232.07420	3.9
233.08273	6.9
233.11827	14.5
233.15462	0.6
234.08688	0.7
234.12170	1.1
243.10190	1.5
247.09674	0.9
248.10501	1.0
261.11304	8.2
261.14932	10.7
262.11560	0.8
262.15305	0.8
271.13391	1.0
289.14542	1.7
317.09811	0.5
329.14075	2.8
330.14694	0.5
340.12970	0.7
343.15714	2.2
344.16251	0.6
355.15668	2.7
356.12338	0.7
368.16339	1.2
369.17084	1.9
371.15009	1.0
383.13977	3.7
383.18942	12.1
384.19208	1.1
397.16113	1.2
397.20328	1.4
398.21039	8.3
399.21298	0.8
408.19238	1.0
409.20172	1.3
411.17911	0.8
412.18796	2.4
426.20529	12.7
427.20706	2.2
441.22806	100.0
442.23120	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2285
Annotation	Docosyltrichlorosilane
Peak:m/z	Relative Intensity
73.28146	0.3
89.44296	0.3
91.17294	0.3
91.69232	0.4
98.22568	0.6
109.02973	2.1
121.02943	0.6
122.03745	3.9
123.04513	1.2
124.01669	1.0
135.04543	1.3
137.02461	2.5
138.03236	1.2
139.03999	0.7
148.05276	0.5
149.06087	2.9
150.03169	0.7
151.04041	1.3
152.04802	0.7
153.05560	0.7
154.02693	0.9
159.04477	0.6
161.02466	1.5
162.03241	10.1
163.04010	3.7
163.07619	0.8
164.01190	0.8
164.04820	2.5
165.05507	0.6
175.04007	6.7
176.01120	0.7
176.04770	2.1
177.01965	1.8
177.05560	3.2
177.09201	2.1
178.02612	0.9
178.06355	0.6
179.06850	0.4
187.04083	0.4
187.07631	1.3
189.02037	1.8
189.05562	5.8
189.09267	0.4
190.02750	3.4
190.06308	2.4
191.03481	1.4
191.07150	5.8
192.00620	0.6
192.07854	1.4
193.08661	0.5
203.03494	1.0
203.07164	2.5
204.04282	4.3
204.07932	1.2
205.04916	1.2
205.08701	15.1
205.11900	0.5
206.05875	0.7
206.09406	3.6
207.09866	0.6
215.07196	1.1
216.08022	0.7
217.05057	1.4
217.08650	1.1
218.05817	0.8
218.09351	0.5
219.06590	1.2
219.10284	0.8
231.06610	0.6
231.10316	0.6
232.07312	1.9
233.08270	7.0
233.11830	18.0
234.08759	0.8
234.12277	1.3
243.10191	0.4
245.08168	0.5
247.13306	1.1
260.14374	0.4
261.11349	4.5
261.14948	17.6
262.15414	2.1
275.12787	0.6
289.14545	0.8
329.13953	2.3
330.14673	0.9
340.13123	1.1
343.15488	2.7
344.16144	1.6
355.15500	5.0
356.12643	1.0
368.12656	0.9
371.14893	1.0
381.20538	0.5
383.14896	5.8
383.18869	3.7
384.15161	0.9
397.20218	1.6
398.20972	13.3
399.21387	1.5
408.19366	0.4
411.18091	0.6
413.23242	1.1
426.20508	15.4
427.20813	2.1
441.22812	100.0
442.23157	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81242	3.3
63.53311	3.7
71.32172	6.7
78.34314	3.7
83.05024	7.7
97.06610	14.2
108.02203	6.7
109.00497	4.1
109.02953	27.6
121.03020	7.3
122.03796	4.2
123.04563	8.8
124.01675	13.9
135.04517	10.9
137.02458	22.2
138.03256	27.8
139.04016	22.8
139.81245	3.8
148.05327	7.3
149.06104	16.9
151.04030	9.0
153.05609	10.8
163.07700	10.3
164.04858	11.0
179.07109	4.1
182.42796	3.6
200.74899	3.4
249.25308	4.3
249.28232	3.6
285.95773	3.6
301.14539	8.2
315.16037	13.7
328.13190	4.2
329.14005	70.3
330.14142	6.9
343.15521	98.3
344.16263	100.0
345.16663	13.7
362.99390	4.2
441.22195	11.0
441.33759	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
63.40155	3.9
71.32355	5.5
74.62851	3.9
83.05001	4.0
94.67461	4.2
97.06580	8.6
100.45235	3.5
107.54926	5.0
109.02970	30.6
123.04515	9.5
124.01685	6.7
135.04492	9.8
137.02467	20.6
138.03282	25.1
139.04015	16.4
148.05289	4.0
149.06126	13.1
151.04021	8.3
152.04739	4.7
153.05585	12.5
154.02644	4.8
163.07654	5.1
167.14467	4.2
170.02153	4.5
213.63179	3.9
215.10852	4.6
229.04193	4.4
301.14444	12.1
315.16000	10.5
321.97751	4.1
329.13947	56.0
330.14377	4.9
343.15546	99.1
343.19794	5.7
344.16257	100.0
345.16611	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39103	3.0
59.01392	3.2
60.43347	3.1
63.73307	2.9
70.88428	4.0
70.88760	5.2
83.05037	7.6
97.06592	11.5
108.02172	3.9
109.02957	28.9
122.03764	4.7
123.04537	5.8
124.01657	10.8
132.19347	3.5
135.04578	7.5
137.02467	24.1
138.03290	21.1
139.04025	20.4
148.05305	4.3
149.06102	15.2
152.04797	7.5
153.05566	12.6
163.07628	3.8
164.04842	6.4
182.57501	3.1
189.09250	3.8
192.07899	5.8
212.46709	3.5
301.14529	11.0
302.41953	3.7
315.15933	6.6
328.12885	4.9
329.13937	67.6
330.14362	5.5
343.15512	95.4
344.16275	100.0
345.16516	8.3
418.66977	3.7
441.22070	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	46.8
59.01402	1.3
69.03452	9.4
71.05029	6.5
71.32034	2.1
79.01947	1.3
79.05526	1.6
81.03464	8.2
83.05035	4.3
93.03465	2.0
93.43219	1.4
95.05034	12.2
97.02974	5.5
97.06602	49.3
98.03750	7.6
99.04530	76.8
100.04861	1.6
107.05025	2.7
109.06633	2.1
118.76476	1.3
121.06599	4.5
137.06104	2.9
138.06905	4.4
139.07666	1.9
147.08203	1.5
147.54021	1.3
148.81036	1.5
149.09735	1.4
161.09741	2.7
161.80000	1.4
163.11339	6.9
178.10011	1.8
187.11243	2.2
189.12770	1.4
199.11234	1.5
229.15910	1.7
241.15968	2.6
243.17630	1.7
253.16029	1.7
255.17581	5.0
257.19116	100.0
258.19510	7.7
269.19092	2.2
271.20755	13.3
272.21136	2.0
279.21194	3.2
281.19177	5.2
297.22159	2.7
299.20193	69.6
300.20532	9.2
301.18106	48.9
302.18506	3.9
321.22260	5.7
323.20139	5.5
325.18167	2.2
337.00095	1.5
339.23273	27.2
340.23462	1.9
343.19156	90.9
344.19376	8.6
351.06052	1.5
361.25360	3.4
365.21201	6.3
379.26532	14.4
380.27048	1.9
383.22327	19.2
384.22424	1.5
397.28922	1.6
405.24503	13.0
406.24585	1.6
423.25430	81.6
424.25772	9.6
441.21545	2.0
441.26663	23.8
442.26862	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	48.6
59.01390	7.5
60.65424	3.9
65.42329	4.2
69.03474	9.6
71.05035	8.8
81.03448	7.1
85.20390	4.1
95.05061	11.6
97.02962	12.7
97.06597	69.5
98.03757	8.0
99.04530	84.4
99.92598	4.8
107.05053	4.1
121.06600	5.0
137.06038	5.2
138.06801	6.8
163.11322	7.2
255.17429	5.1
257.19128	100.0
258.19391	7.8
270.16434	4.3
271.20624	18.9
279.21295	6.5
299.20190	97.7
300.20358	10.4
301.18140	55.4
302.18411	5.8
316.34515	4.2
321.22507	5.2
323.20169	12.8
339.23199	10.5
343.19171	92.7
344.19641	9.3
361.25394	12.3
379.26529	12.3
383.21896	4.2
397.27328	28.2
398.27921	5.7
405.24142	40.9
423.25443	74.9
424.25763	10.4
441.26520	46.0
442.26761	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	27.4
57.47382	0.8
59.01388	4.0
61.95585	0.7
63.54410	0.8
67.39088	0.7
69.03439	2.5
71.05004	0.9
71.32087	1.5
71.32463	1.0
73.02948	1.0
74.74492	0.7
79.05530	1.4
81.03458	3.0
83.05034	6.5
95.05038	28.1
97.06597	11.8
98.03725	1.2
99.04531	47.2
100.04837	1.4
107.05027	1.5
109.02950	1.5
109.06609	1.9
119.05032	0.9
121.06594	4.0
122.03735	1.6
123.04579	1.0
135.08200	1.7
137.02449	1.1
137.06088	2.5
137.09738	1.1
138.06888	6.8
139.07626	1.6
142.83926	0.8
144.22951	0.9
145.06631	1.0
149.09685	1.1
163.11253	2.7
175.11292	1.9
177.01944	5.2
177.09198	2.1
187.11308	1.4
201.12756	1.0
204.04335	0.9
211.11230	1.2
216.06873	0.8
225.12967	2.0
227.14412	2.1
229.63507	0.9
231.14021	0.9
241.15805	1.7
243.14012	0.9
245.15475	1.2
253.15981	1.2
257.19138	25.4
258.19458	2.3
265.15912	0.9
269.19135	2.1
271.20728	1.5
279.21219	1.7
281.19162	2.2
297.22250	5.9
299.20203	7.8
301.18082	5.4
305.18887	1.0
321.22253	16.1
322.22684	1.6
323.20193	2.8
324.20856	2.8
327.61227	0.7
331.15396	2.0
336.20905	1.0
337.25201	1.3
339.23303	100.0
340.23740	10.7
343.19113	8.8
344.19455	1.2
360.24057	0.9
361.25211	1.7
365.21194	16.2
366.21671	2.5
369.13361	2.1
370.13977	1.8
379.26437	9.7
383.22296	73.1
384.22739	9.3
405.24582	2.3
423.25421	21.9
424.25766	1.4
441.19348	3.0
441.26440	17.0
442.26776	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2651
Annotation	Stypotriolaldehyde
Peak:m/z	Relative Intensity
54.85838	1.9
56.88988	1.5
57.03453	24.1
59.01381	4.9
61.98827	2.4
69.02355	6.9
69.02774	10.3
72.49715	1.7
83.05029	5.5
90.27728	1.8
95.05032	25.8
96.86779	1.8
97.06615	3.7
99.04534	43.3
99.05196	2.4
113.57747	1.7
121.06590	4.1
132.56337	1.7
137.06236	2.2
138.06883	5.5
139.07716	3.2
171.53223	1.7
245.15450	2.3
257.19128	16.9
297.22217	5.8
301.17819	1.9
321.22348	9.1
339.23294	100.0
340.23611	11.3
361.25409	7.5
365.21127	3.4
379.26459	6.9
383.22308	83.3
384.22577	8.8
405.24347	7.0
423.25366	43.1
424.25827	4.7
441.26437	44.7
442.26852	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65762	1.3
69.55305	8.7
72.85394	1.5
81.06238	2.1
82.73397	1.5
84.59898	1.5
85.49368	1.6
97.36563	1.4
98.21838	1.8
99.33500	1.3
146.78497	1.3
224.50287	1.3
401.32196	1.4
441.33755	100.0
442.34070	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74532	1.5
56.84470	1.4
57.03446	3.3
59.01130	1.9
59.01384	21.9
61.98834	100.0
65.23001	1.6
71.01386	17.0
72.01707	2.0
73.02937	3.3
78.63190	1.5
85.02931	4.2
87.00897	4.5
89.02451	10.1
93.26452	1.7
99.04494	2.6
101.02446	10.5
102.02769	1.8
113.02454	8.0
117.03428	3.0
119.03490	5.3
125.02462	2.6
125.09722	2.0
136.05266	1.8
145.02974	8.8
151.07602	4.3
152.08009	2.9
155.10791	11.2
161.04541	3.5
162.04884	1.7
163.04027	2.5
167.07185	2.2
167.48145	1.8
169.08710	7.4
170.09070	3.9
179.05614	2.7
197.04599	2.1
199.09756	12.2
218.12567	1.9
221.79686	1.5
236.13763	1.9
267.05341	1.6
274.95026	1.6
281.10349	1.9
306.16983	1.8
314.31403	2.0
331.14108	3.0
332.14386	5.1
338.30850	1.6
379.16113	9.1
442.17975	6.4
443.20145	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12781	16.0
52.17495	15.2
56.10707	13.7
56.49276	13.6
59.01366	17.4
64.51852	15.3
68.78023	14.0
69.20895	96.2
84.00915	21.0
140.54565	16.6
237.14972	100.0
322.04327	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.5
56.74541	4.6
57.03446	11.4
59.01125	7.3
59.01380	63.5
69.03418	4.7
71.01385	100.0
73.02945	27.6
77.31924	5.0
83.01394	12.9
85.02952	49.3
87.00883	8.3
89.02451	18.2
95.01398	6.1
99.00877	15.6
101.02443	70.5
113.02470	30.4
125.02428	4.9
126.07826	4.8
131.03497	26.1
134.00366	4.6
143.03528	7.2
159.02939	8.8
161.04572	55.4
163.13037	5.1
173.04597	5.7
191.05589	13.7
207.10303	5.5
210.57060	4.8
219.13911	5.2
237.14925	9.1
245.11819	5.6
263.12939	5.7
281.14026	21.1
311.15039	76.3
399.19876	6.2
443.19223	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07301	12.4
59.01381	100.0
61.98822	17.5
63.60256	13.2
63.64954	12.8
71.01385	61.4
71.32204	24.8
73.02959	24.0
85.02946	19.1
87.00838	16.8
87.36119	14.6
89.01553	12.3
89.02464	22.2
89.47824	12.8
93.03452	24.5
95.05116	13.9
96.63518	12.7
101.02431	30.7
109.02951	23.4
111.52052	13.6
113.02451	23.2
119.03542	13.6
119.05021	27.9
149.06052	36.8
149.09732	24.1
173.04491	19.6
205.05086	20.8
206.05861	29.9
234.37090	13.3
252.84724	13.5
281.13934	38.4
406.21686	17.3
415.05887	14.9
443.23447	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67089	11.8
59.01381	44.4
63.30957	12.3
69.07023	42.4
69.07438	100.0
69.81768	15.4
71.01391	49.6
76.12608	12.3
89.02471	56.7
101.02470	23.8
113.02493	22.3
119.03545	52.1
179.05693	24.3
291.15222	17.5
291.72552	15.0
328.46323	14.7
394.31497	15.6
399.23920	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68812	7.7
57.03445	9.1
59.01380	100.0
66.87872	8.8
69.34767	38.0
69.35172	23.8
71.01376	68.5
73.02960	13.2
85.02950	19.3
87.77755	8.6
89.02451	89.4
98.22500	16.1
99.00916	14.3
101.02464	29.7
106.65565	7.7
113.02444	24.8
125.02442	23.6
131.03484	12.7
149.04523	33.6
149.09732	24.9
161.04520	12.0
191.05591	12.2
191.85843	8.0
192.18394	8.3
219.13863	17.2
237.15013	26.9
243.06703	46.6
244.06970	32.1
281.13937	59.5
296.70715	8.2
323.10492	10.5
352.71466	8.0
442.11038	13.8
443.18463	15.6
458.23938	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22791	14.7
59.01386	39.0
60.54102	14.8
69.01606	60.2
69.02022	100.0
71.01374	30.7
86.04790	14.3
98.21722	29.2
98.22405	57.8
101.02490	20.9
177.88055	17.0
191.05568	19.4
310.97186	16.5
394.52481	16.5
412.18326	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20958	21.5
57.03459	34.9
59.01377	100.0
61.98833	19.2
62.02253	18.8
66.47045	21.9
71.01381	51.6
74.85788	21.3
85.02956	27.6
98.21809	59.0
108.09988	19.9
109.02933	31.8
113.02464	25.1
125.02547	26.6
178.73761	22.8
181.11227	24.8
213.68033	24.0
237.14925	40.1
281.14020	58.2
312.77774	22.8
323.15063	62.7
332.73883	21.6
353.16159	28.1
442.27777	43.5
443.19281	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	10.8
59.01395	53.9
61.98839	11.9
63.83441	8.3
69.03917	29.9
69.04333	71.3
71.01395	22.6
82.07894	8.9
85.02956	19.6
89.02464	29.8
93.19991	8.6
96.96033	32.3
99.04555	10.7
101.02457	19.8
109.98975	9.5
113.02436	16.1
125.02532	11.1
137.02403	12.7
149.06084	11.9
161.02466	13.8
162.02983	12.1
219.14005	53.3
237.15018	48.8
241.01390	10.8
245.00969	13.3
261.88632	8.8
263.12878	22.3
271.02301	11.1
276.80722	11.2
280.12857	14.0
281.14017	100.0
299.02158	10.2
323.14987	13.3
372.93546	10.2
425.35300	11.5
442.12369	13.7
442.18600	13.2
443.06256	21.9
443.18823	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.245
Annotation	Unknow
Peak:m/z	Relative Intensity
63.81313	12.7
69.20339	100.0
86.64525	12.8
98.21741	19.9
104.02001	13.5
132.34995	14.4
161.04567	29.9
362.26447	13.8
442.19693	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44104	0.6
59.01382	2.3
69.33701	1.2
69.34108	3.2
71.01395	1.9
76.56686	0.6
77.33835	0.5
79.95739	2.9
80.96533	1.3
85.02984	0.9
89.02435	2.2
92.24679	0.7
94.98056	0.6
95.95260	1.0
96.96021	85.3
101.02442	1.7
106.92882	0.7
108.02187	34.7
113.02483	1.2
113.36303	0.6
117.36319	0.6
122.97555	3.1
123.04540	14.2
124.04916	0.8
137.02406	0.7
150.03227	1.8
152.01169	74.3
153.01457	1.9
162.03229	1.6
165.05554	1.4
167.03510	100.0
168.03830	3.1
246.07843	0.6
249.07054	0.8
250.75406	0.7
266.92117	0.6
275.02386	10.9
276.02551	0.8
299.60773	0.6
443.06531	20.4
443.12601	1.4
443.19254	3.8
444.06720	2.3
444.19830	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69172	2.1
57.03417	2.1
58.00591	1.9
59.01384	40.3
60.99316	11.2
67.74644	1.9
70.81914	4.1
70.82256	3.7
71.01393	23.7
72.99331	2.0
73.02943	4.0
79.60623	2.1
83.01408	3.5
85.02962	15.6
87.00896	6.1
88.98815	100.0
89.02457	19.1
93.03482	4.0
100.14664	1.8
101.02448	18.0
109.02996	2.3
113.02478	10.6
119.03498	8.8
132.02132	3.0
134.03731	5.4
149.06079	3.3
160.01662	14.3
175.03996	27.2
176.04155	2.6
187.04004	2.4
191.05627	90.3
191.07368	5.1
192.06029	4.7
193.05055	14.4
217.05089	2.8
217.28073	2.2
235.06241	2.3
237.15079	2.5
258.65036	2.2
281.14014	18.0
353.08780	7.3
355.10400	15.3
421.66696	2.0
432.56216	2.1
443.19257	89.4
444.19995	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65465	1.7
52.70294	1.8
59.01376	11.0
60.99323	12.0
65.50323	1.9
68.95475	21.3
71.01384	5.4
78.95878	5.7
85.02969	4.6
87.00886	3.2
87.92541	20.7
88.98814	100.0
89.02440	4.4
96.96012	3.5
101.02484	3.2
103.92047	8.1
105.93588	2.3
123.94650	2.4
152.01163	3.8
160.91818	5.7
167.03502	2.7
187.90489	5.1
191.05623	68.0
231.89507	5.9
256.95813	2.0
353.08847	4.6
443.19147	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67917	1.7
57.03440	2.2
59.01384	39.7
61.98812	2.9
62.00309	1.5
69.84775	5.3
69.85187	2.8
71.01035	2.8
71.01389	36.4
72.99313	1.4
73.02953	12.0
78.95919	2.7
83.01387	4.2
85.02962	13.8
85.50351	1.8
87.00877	3.0
89.02455	9.3
90.70426	1.6
93.03460	3.2
95.01360	2.4
96.96960	2.1
98.22190	5.0
99.00885	7.0
101.02451	29.3
110.67853	1.8
113.02442	14.9
123.00916	10.3
125.02386	2.0
131.03473	4.5
133.80345	1.7
137.02444	2.0
138.03265	6.3
143.03531	2.8
147.04539	5.4
151.46820	1.8
161.04591	20.1
164.07185	13.1
165.05545	3.4
173.04575	2.2
193.05066	4.1
195.06543	2.4
251.11354	100.0
252.11693	6.2
255.06909	2.5
257.38831	2.0
280.04297	1.9
281.13959	4.4
315.94345	1.8
337.09225	1.8
383.15710	22.2
443.13150	2.3
443.19135	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.7
57.03435	1.6
58.00584	1.4
59.01384	40.1
69.69030	3.8
71.01387	24.3
72.99297	2.1
73.02961	5.3
83.01402	3.3
83.05058	0.8
85.02959	9.7
87.00877	1.5
88.98820	2.0
89.02445	18.1
95.01390	2.4
96.95994	1.0
99.00892	1.9
101.01821	1.3
101.02457	19.7
101.03125	1.2
111.04520	0.8
113.02477	11.5
119.03517	7.9
122.17756	0.7
133.70981	0.9
143.03493	1.2
161.04590	1.8
189.12851	1.3
191.05643	2.0
195.04808	0.8
203.05878	0.7
251.49850	0.7
273.63174	0.7
443.19250	100.0
444.19601	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70929	0.8
55.01845	1.0
57.03434	3.1
59.01382	29.5
59.04377	0.9
69.29315	2.1
69.29719	3.8
71.01385	14.1
71.42284	0.8
72.99318	1.1
80.41726	0.8
83.01392	1.1
85.02946	3.5
88.80505	0.8
89.02458	15.3
92.80112	0.9
97.64176	0.9
99.04518	4.0
101.02454	6.8
107.08664	1.0
109.06620	1.0
113.02473	5.6
119.03540	4.3
121.10251	1.3
137.09763	5.6
147.11794	1.7
163.16574	0.8
163.36320	0.9
166.33008	1.0
189.12793	5.9
191.14392	5.4
205.12315	1.5
207.10365	1.3
211.30920	0.9
217.12329	6.1
219.13916	2.6
235.13327	3.0
237.14998	14.0
238.15228	1.1
241.01535	0.9
263.12900	100.0
264.13257	8.3
270.01532	1.2
281.13953	42.6
282.14252	4.5
323.15051	5.2
325.40082	1.1
383.17587	1.3
443.19250	54.7
444.19662	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1927
Annotation	Dendromoniliside C
Peak:m/z	Relative Intensity
54.23562	0.9
56.78391	0.9
57.03439	2.2
57.55976	0.8
59.01094	1.3
59.01383	22.7
69.03448	1.4
69.04939	8.3
71.01382	12.9
71.21265	0.8
72.01707	1.0
83.05031	1.4
85.02952	3.8
86.00108	0.7
87.00890	2.3
89.02451	8.2
95.05016	1.2
97.06579	1.3
98.22543	1.9
99.04522	1.7
101.02449	6.7
109.06597	1.0
113.02438	7.5
119.03504	3.0
131.03358	0.8
131.41591	0.8
137.09738	10.8
147.08168	1.4
147.11810	1.0
161.04605	0.9
173.09706	1.7
175.11362	4.4
189.09061	1.2
189.12851	11.5
191.14394	8.7
207.10201	1.0
217.12375	10.3
219.13925	18.0
233.11871	1.1
235.13467	1.1
237.14970	50.7
238.15315	3.9
241.01411	1.2
263.12897	100.0
264.13171	7.2
281.13962	91.4
282.14307	7.9
288.41049	0.9
298.01160	1.3
323.15070	1.8
349.29898	0.9
399.19785	1.2
443.19235	83.2
444.19482	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
56.54266	0.9
57.03473	0.8
57.72245	0.7
58.00600	0.8
59.01385	38.7
69.47227	3.1
71.01389	16.3
73.02950	10.0
80.77038	0.9
83.01365	2.0
85.02955	3.3
87.00862	1.7
88.66554	0.8
89.02453	12.9
96.96023	1.1
98.22543	0.8
101.02447	21.2
108.02222	0.7
113.02470	2.6
119.03508	10.3
120.63613	0.7
128.48674	0.7
135.04526	2.0
137.02467	1.3
161.04597	5.4
167.03534	0.9
188.95874	0.8
189.12891	1.7
193.05019	2.2
205.07440	0.8
237.15028	1.7
281.13834	1.1
306.69720	0.9
396.55307	0.9
399.20514	1.7
409.05634	0.8
443.19260	100.0
444.19473	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.5
57.03434	1.5
58.00589	1.4
59.01385	39.9
70.63549	1.2
71.01389	27.5
72.99303	1.5
73.02952	4.8
83.01411	3.8
85.02957	9.7
87.00871	0.9
87.78446	0.6
89.02452	19.4
95.01395	3.2
99.00892	1.4
101.01820	1.2
101.02451	18.7
101.31983	0.7
113.02457	11.8
119.03512	8.3
123.08150	0.9
135.06635	0.6
143.03554	1.3
161.04498	1.0
171.11803	0.7
189.12878	1.2
219.13806	0.9
237.14931	1.0
263.73199	0.7
443.19244	100.0
444.19568	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1924
Annotation	Plucheoside C
Peak:m/z	Relative Intensity
55.01881	1.8
57.03447	1.7
58.00600	3.6
59.01384	73.0
59.73153	0.8
69.03460	7.5
71.01389	88.0
71.29826	1.1
72.01748	1.0
72.99309	3.8
73.02951	12.3
75.00869	2.9
79.01888	1.1
81.03473	3.9
83.01379	6.3
85.02956	11.0
87.00897	2.3
89.02454	100.0
90.02819	2.1
95.01420	2.7
97.02961	14.3
99.00887	18.0
99.04542	2.0
101.02447	21.9
109.02952	1.0
111.00904	2.4
113.02463	10.4
115.04006	7.7
119.03506	2.2
125.02456	51.6
126.02808	0.9
127.04036	2.0
131.03506	15.1
143.03542	5.0
149.04573	15.6
149.09734	93.7
150.10094	4.4
161.04630	5.7
173.04561	1.1
175.06163	1.3
191.05626	9.2
233.06685	43.6
234.07056	1.1
263.12918	1.1
281.13882	1.3
284.63254	0.8
293.08817	40.3
294.09232	2.3
443.19153	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1945
Annotation	Ixerisoside I
Peak:m/z	Relative Intensity
53.43780	2.0
55.01863	3.3
57.03431	2.0
58.00583	3.5
59.01384	100.0
60.01712	7.5
60.02087	1.5
61.01796	8.0
69.23975	4.2
69.24387	8.1
71.01387	57.3
72.01707	6.7
72.85975	1.8
72.99283	5.1
73.01845	2.7
73.02939	7.0
83.01387	5.6
85.02953	13.5
86.03299	1.9
89.02456	54.5
89.37893	1.8
89.92632	1.8
90.02776	5.4
91.02886	5.4
95.01414	4.3
99.00855	2.6
101.01405	1.9
101.02454	41.3
102.02822	4.7
103.02901	4.4
109.02966	5.1
110.03343	2.0
113.02450	22.6
114.02796	4.3
115.02919	2.0
119.03510	25.9
120.03844	4.1
121.03942	3.9
121.44071	1.7
132.38005	1.7
133.06609	5.4
134.06912	3.1
135.04536	4.5
137.19585	1.7
139.07681	5.8
140.07930	2.1
143.03510	3.7
149.04526	1.8
150.06801	2.1
150.16776	1.8
161.04575	5.7
162.04968	2.2
174.52731	1.7
179.05663	3.7
237.15038	2.2
272.58914	1.9
281.13959	2.3
330.13281	2.1
331.13696	9.2
332.13757	16.5
333.14459	6.4
399.19470	5.8
422.94144	1.7
443.12173	4.8
443.18396	75.1
444.18994	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15123	0.5
56.27633	0.4
57.93803	0.4
70.92717	0.8
74.88670	0.4
74.99075	1.2
97.74579	0.6
106.93364	0.4
131.98792	0.5
138.90248	0.5
152.80234	0.5
159.08478	3.8
161.06409	1.8
217.07314	1.2
261.04465	0.8
275.05997	1.0
277.07675	2.5
277.10428	0.5
300.97430	0.5
303.99692	0.5
343.12158	1.3
345.13705	1.2
357.13699	2.5
359.15372	100.0
360.15549	13.1
377.16422	0.8
425.19641	1.0
427.21616	49.4
428.21783	8.5
443.24756	6.4
444.24954	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
63.02961	0.8
70.93490	0.8
70.93832	1.7
71.01380	5.1
73.02969	1.1
85.02960	3.3
89.02444	1.2
95.05047	0.8
96.96011	0.8
98.21984	1.0
98.22560	0.9
101.02461	3.5
113.02473	2.8
125.67102	0.8
127.81684	0.9
161.04510	1.0
197.63695	0.9
221.51187	1.0
228.54428	0.7
243.02890	0.8
279.49927	0.9
401.25391	3.1
402.24954	1.0
443.20547	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93196	2.2
56.34521	2.2
57.03443	6.5
59.01384	100.0
59.09036	2.4
61.98826	3.3
69.03466	2.9
69.09620	13.6
69.10038	6.0
71.01006	2.1
71.01386	58.4
72.99324	5.0
73.02951	11.1
75.00906	2.6
78.78352	2.1
82.56485	2.4
83.01393	6.2
85.02946	18.8
87.00896	4.4
89.02454	47.8
93.03477	3.4
95.01424	4.9
97.02943	3.8
98.61166	2.1
99.00898	4.8
101.02448	33.6
101.36834	2.3
108.13422	2.1
113.02470	23.3
119.03513	22.3
123.04574	2.7
125.02493	6.3
131.03503	2.6
131.38829	2.4
137.02458	4.6
137.09706	3.0
143.03531	4.8
151.04005	10.3
161.04573	14.6
179.05621	7.4
179.10840	3.8
181.08742	7.5
187.11255	3.6
191.05614	3.9
205.12386	3.2
209.11749	6.0
221.11880	10.6
233.06775	3.1
239.12874	5.0
250.08649	2.1
257.53180	2.3
265.14557	4.1
283.15305	2.6
401.18210	42.4
402.18689	3.2
427.15860	3.2
444.19611	9.1
445.20975	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	13.8
61.98833	5.5
70.82521	8.1
71.01383	14.7
73.02957	5.0
78.95897	6.3
85.02958	6.0
88.94630	3.3
89.02433	8.0
93.03458	81.6
96.96001	6.3
96.96985	15.2
101.02439	10.2
105.35566	3.6
113.02442	5.6
128.31340	3.1
137.02449	100.0
161.04607	10.6
280.32910	4.0
298.66660	3.7
385.47534	3.8
417.38351	4.8
444.19617	10.6
445.13440	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	15.3
62.72546	4.4
69.20101	25.9
71.01382	9.9
73.54978	3.9
79.64857	4.1
89.02456	6.9
98.22166	16.1
101.02488	7.4
108.44711	3.6
113.02457	8.9
119.03526	5.8
159.21063	3.6
161.04572	3.6
161.81015	3.7
179.05623	4.1
181.98448	4.0
239.16545	100.0
240.16891	10.2
241.01402	5.0
330.12335	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96543	1.8
59.01393	4.5
64.31409	1.8
69.82674	3.0
69.83065	6.0
74.88907	2.4
80.50665	1.8
81.63950	2.1
113.02499	2.0
121.02966	100.0
140.87321	2.1
161.44939	1.7
169.01201	1.7
180.05772	2.1
181.06584	48.4
193.39487	2.0
197.06302	3.5
198.89255	2.0
199.07637	5.6
209.11864	2.1
225.05594	34.9
240.39713	2.1
251.29408	2.2
322.37369	2.5
339.96713	2.1
357.09821	56.5
401.08862	19.5
401.24649	2.7
445.11429	58.3
466.77499	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01121	4.7
71.09492	7.8
71.09964	3.7
74.43676	4.4
81.03438	6.5
81.99728	4.9
111.94358	4.4
125.02456	4.6
165.09192	29.8
172.56223	5.4
195.06641	19.8
209.08197	100.0
233.47217	4.9
263.12964	8.0
270.23132	5.1
323.91229	5.9
335.34860	4.5
388.94492	4.4
444.64532	5.7
445.22296	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
66.85378	6.4
69.24355	46.1
81.29591	6.9
91.62718	6.5
119.95431	6.0
165.09190	22.8
195.06615	8.6
209.08173	100.0
234.41122	6.7
263.12991	13.2
269.04605	7.6
276.82080	7.0
444.35947	16.5
445.22461	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.0
57.03443	2.4
58.00589	1.4
59.01377	35.5
61.46322	0.7
63.02390	1.2
65.00315	1.6
68.82401	0.7
69.03432	1.0
69.17867	6.7
71.01387	56.0
72.99311	1.7
73.02952	14.0
83.01402	7.8
83.52721	0.7
85.02950	21.3
87.00873	2.3
87.01405	0.7
89.02451	23.8
93.03423	1.0
95.01409	3.1
96.96018	2.3
97.02953	1.1
99.00895	5.6
101.02449	31.6
107.01401	4.7
108.02195	1.7
109.02953	2.8
111.00908	1.7
113.02462	20.3
119.01368	1.0
119.03497	5.5
121.02966	3.6
125.02476	4.5
131.03508	22.0
135.00902	1.9
143.03502	3.5
148.01627	1.8
149.04553	4.2
151.00375	17.8
151.11281	2.6
152.00629	1.0
159.03011	3.7
159.04366	0.9
161.03261	1.3
161.04561	22.5
163.00391	5.0
164.01154	1.0
175.99553	0.8
178.99858	7.7
179.05713	1.1
183.04527	1.4
186.03426	0.7
187.04080	0.9
191.05603	2.4
199.04057	1.4
201.05507	0.9
211.03911	1.1
215.03445	1.0
221.15471	2.8
221.43399	0.8
223.13274	0.9
226.02681	1.7
227.03459	5.1
237.14999	3.1
239.03580	0.9
239.16479	1.2
243.02995	11.0
244.03282	1.5
245.04482	2.2
254.02220	3.0
255.03003	28.6
256.03418	1.9
265.14410	4.8
271.02475	60.7
272.02933	6.2
273.03787	1.7
283.02399	1.6
283.15546	17.0
299.02023	1.9
300.02756	86.7
301.03519	100.0
302.03949	7.3
310.13638	0.7
313.16553	27.3
314.16943	2.5
342.90009	0.8
388.53036	0.7
445.07776	37.0
445.20703	14.9
446.08063	4.0
446.21298	1.8
469.67972	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81918	0.4
57.03431	1.2
58.00586	0.5
59.01386	6.6
61.49838	0.4
63.02400	2.6
65.00331	5.4
69.35903	1.4
69.36308	1.5
71.01388	5.3
71.32047	0.4
73.02950	1.3
76.33748	0.5
83.01389	4.6
85.02948	2.5
87.00869	0.8
89.02458	5.3
93.03471	1.3
95.01363	0.6
98.89887	0.5
101.02448	3.1
107.01395	9.5
109.03001	0.5
113.02463	2.3
117.03470	0.5
119.03529	2.1
121.02948	1.0
125.02455	7.9
125.61495	0.6
131.03494	2.1
133.02969	1.3
135.04532	1.0
137.02460	2.3
145.02954	2.8
147.04558	1.2
149.02440	1.1
151.00377	35.8
152.01027	1.5
153.01982	1.4
158.03732	0.5
159.04506	1.1
161.02457	8.0
161.04550	0.8
162.03209	1.8
163.00426	0.6
163.03999	4.6
166.95123	0.4
169.01430	2.3
173.02467	1.2
174.03252	1.2
175.04056	3.3
177.01971	0.8
178.99870	16.9
179.05493	0.6
183.04523	1.4
187.00381	1.7
187.03981	0.6
188.01079	0.5
189.01930	4.0
190.02617	0.7
191.03574	2.6
192.00623	1.6
193.01471	1.0
195.04535	0.5
198.03201	0.6
199.03989	0.9
201.01964	0.7
201.05627	0.6
203.03606	2.5
207.04584	0.5
211.04041	1.1
213.01924	0.9
213.05518	0.7
217.01396	0.5
217.04970	0.7
221.04631	0.8
221.15515	1.8
223.04010	0.8
224.04660	0.6
225.05594	1.0
227.03447	3.2
229.01454	0.7
229.04942	1.0
231.02959	0.6
239.03473	1.1
241.01505	0.8
241.05063	1.6
242.02148	0.9
243.02939	1.4
245.04475	0.9
247.02531	1.2
251.03493	1.9
252.04007	0.7
253.05052	0.7
255.03011	1.5
256.03778	0.6
257.04507	1.2
265.14386	1.3
267.02914	2.1
269.04572	2.1
270.01770	1.0
271.02454	2.0
279.02878	1.9
280.03680	1.3
281.04559	0.7
283.02551	1.4
283.15536	4.8
284.03159	1.3
285.04007	1.6
295.02481	11.0
296.03152	2.3
297.04053	9.7
298.01141	1.3
298.04349	0.6
299.01935	2.1
300.02731	1.3
301.03491	4.7
309.03882	0.8
311.01968	2.5
312.02527	1.0
313.03571	8.2
313.16504	0.5
314.04041	1.0
323.01959	11.9
324.02554	1.8
325.03601	0.7
327.01486	9.8
327.04987	0.6
328.01697	0.6
341.03036	28.9
342.03256	2.4
353.03125	0.8
355.04733	3.0
371.04089	0.8
373.05634	2.4
383.04004	1.5
401.05380	0.7
427.06674	0.7
445.07776	100.0
445.20459	5.9
446.08185	9.9
446.21057	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89397	0.2
53.89865	0.2
58.00837	0.2
59.01381	1.3
65.03954	0.7
70.36137	0.7
71.01395	1.5
73.02934	0.5
85.02951	0.6
85.51132	0.2
89.02439	0.9
93.03466	53.0
94.03791	1.7
96.96026	0.7
99.00879	0.3
101.02462	0.9
113.02457	0.6
117.03481	2.9
119.03612	0.3
119.05061	2.4
121.02897	0.3
129.05518	0.2
130.87480	0.2
137.02458	100.0
138.02798	3.1
145.02971	10.8
145.04146	0.5
146.03326	0.4
149.04504	0.3
161.04549	0.5
163.04024	1.1
209.11789	0.5
221.15520	0.5
271.02502	0.4
281.31506	0.2
283.15497	1.4
285.03998	0.4
295.02579	1.1
299.07779	0.5
301.03598	0.4
307.08298	2.4
310.88739	0.2
313.16760	0.4
334.26349	0.3
445.05881	0.7
445.11603	0.7
445.19928	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	2.0
62.98579	0.4
65.03946	0.6
70.55259	0.8
70.55592	0.8
71.01387	1.4
73.02927	0.4
85.02993	0.3
89.02439	0.7
90.96934	0.4
93.03463	77.2
94.03831	2.0
96.96951	0.4
101.02448	0.9
103.04025	0.4
115.05549	0.4
121.02922	0.3
125.02407	0.7
137.02455	100.0
138.02808	3.0
151.03885	0.4
167.03493	0.4
205.07144	0.6
221.08505	0.4
281.06631	1.5
295.61499	0.4
299.07764	1.0
434.90100	0.4
445.07318	1.0
445.13495	18.6
446.13818	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1355
Annotation	10-Acetoxymajoroside
Peak:m/z	Relative Intensity
52.14714	0.8
55.01907	1.0
56.86332	0.9
58.00611	1.8
59.01383	42.2
60.87194	1.0
61.70959	1.1
68.16893	1.1
71.01383	20.6
71.30086	1.6
72.99323	1.1
73.02954	8.7
83.01399	3.3
85.02951	6.4
87.00883	73.2
89.02454	14.3
95.01402	1.2
96.96974	1.6
99.00895	4.4
101.02451	13.2
103.04034	1.1
113.02467	9.2
115.44148	1.0
119.03503	6.6
119.05045	4.3
121.03002	3.4
121.06617	1.3
123.04543	2.8
124.01675	1.3
125.02469	1.4
129.01973	2.9
131.03490	1.2
131.68297	1.0
134.03770	1.1
135.04524	5.5
136.05313	9.0
143.03531	3.5
145.05159	1.0
148.84492	1.1
149.06082	1.0
151.04111	1.2
151.07675	3.3
161.04581	3.3
161.05962	1.2
163.06241	2.2
179.05620	2.5
191.05670	2.0
195.06638	63.2
196.07027	2.4
203.66670	0.9
205.07208	1.9
212.48256	1.0
220.57083	0.9
221.08266	2.8
234.87715	0.9
237.07724	2.7
239.16844	1.1
249.32851	1.1
265.07217	1.3
265.14508	1.6
283.08264	100.0
283.15060	2.3
284.08646	6.3
325.09241	6.2
385.11554	2.7
409.16806	1.2
445.13498	5.0
445.20770	8.4
446.21890	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1358
Annotation	Paeonovicinoside
Peak:m/z	Relative Intensity
57.03439	4.2
58.00596	3.2
59.01382	100.0
61.98829	2.3
69.03458	13.2
69.53236	8.1
71.01387	76.1
72.99306	5.0
73.02950	10.6
74.57129	1.6
75.00852	3.7
81.03447	6.0
83.01399	4.9
85.02969	12.7
87.00873	4.1
89.02453	94.3
91.01889	12.7
92.02134	1.8
93.03469	17.3
94.03827	1.7
95.01409	2.0
96.96012	2.3
97.02963	10.7
98.27161	1.9
99.00874	12.1
99.04517	4.6
101.02450	22.1
107.05005	4.1
113.02455	21.4
113.03200	2.8
115.04018	4.2
115.20209	2.1
119.01373	6.0
119.03495	8.0
121.02945	17.8
125.02457	39.8
131.03485	7.8
137.02443	15.3
143.03510	4.4
145.02945	2.8
149.04564	10.9
151.04021	89.3
152.04425	2.0
161.04565	4.7
163.04051	2.9
179.05672	3.8
191.05637	6.4
201.16496	1.9
209.12010	3.8
233.06696	29.3
235.60504	2.2
265.14264	3.0
283.11990	2.3
283.15491	4.5
293.08875	15.1
315.31125	1.9
445.16302	2.0
445.20819	43.2
446.21042	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.03452	8.2
58.00593	0.7
59.01384	24.1
66.52077	0.5
68.21897	0.4
69.03416	0.4
69.31337	3.3
71.01387	15.9
71.04987	0.5
72.99300	1.0
73.02945	7.0
73.28295	0.5
83.01389	2.3
83.05042	0.5
85.02954	7.2
87.00858	0.7
89.02453	5.1
95.01410	1.2
97.02952	1.7
98.21782	1.0
99.00884	1.8
99.04523	1.6
101.02457	11.1
106.40111	0.4
107.01398	1.2
108.05823	0.8
109.02940	0.7
109.06590	0.7
111.04574	0.9
113.02462	6.3
113.06111	1.1
119.03494	1.2
121.02952	1.0
123.08184	0.8
125.02474	0.8
125.06067	0.9
125.09630	0.5
131.03510	4.7
136.05354	0.5
137.06076	0.7
138.06871	1.3
139.07684	2.9
146.28922	0.5
149.04604	0.7
151.00337	3.3
151.07658	7.1
152.04730	0.8
152.08421	3.2
153.09209	1.5
159.02994	1.5
161.04585	7.8
162.05089	0.5
163.00323	0.6
163.07703	0.6
178.99893	1.5
179.14381	1.0
191.14388	0.6
193.16022	0.7
201.12839	1.6
203.10727	0.6
203.14426	1.2
204.11523	3.4
219.13904	6.1
220.14204	0.5
221.15475	18.0
222.15811	1.5
223.13397	21.9
224.13776	1.7
226.59227	0.5
237.14951	1.2
239.16493	1.4
240.34937	0.4
241.01521	2.7
242.02081	1.1
243.03023	1.0
245.00818	0.8
247.13327	0.8
255.03030	2.0
263.12885	18.9
264.13199	1.3
265.14456	5.1
270.01703	2.0
271.02481	6.6
272.02734	0.7
283.15524	100.0
284.15839	7.8
285.04016	0.5
289.14322	0.5
298.01248	1.4
299.01981	3.0
300.02786	4.3
301.03506	12.5
313.03946	0.6
313.16550	8.0
325.16605	1.7
341.02786	0.7
395.90961	0.5
409.18521	0.7
445.07825	5.1
445.16110	1.7
445.20959	12.2
446.08044	0.9
446.21213	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.03452	8.2
58.00593	0.7
59.01384	24.1
66.52077	0.5
68.21897	0.4
69.03416	0.4
69.31337	3.3
71.01387	15.9
71.04987	0.5
72.99300	1.0
73.02945	7.0
73.28295	0.5
83.01389	2.3
83.05042	0.5
85.02954	7.2
87.00858	0.7
89.02453	5.1
95.01410	1.2
97.02952	1.7
98.21782	1.0
99.00884	1.8
99.04523	1.6
101.02457	11.1
106.40111	0.4
107.01398	1.2
108.05823	0.8
109.02940	0.7
109.06590	0.7
111.04574	0.9
113.02462	6.3
113.06111	1.1
119.03494	1.2
121.02952	1.0
123.08184	0.8
125.02474	0.8
125.06067	0.9
125.09630	0.5
131.03510	4.7
136.05354	0.5
137.06076	0.7
138.06871	1.3
139.07684	2.9
146.28922	0.5
149.04604	0.7
151.00337	3.3
151.07658	7.1
152.04730	0.8
152.08421	3.2
153.09209	1.5
159.02994	1.5
161.04585	7.8
162.05089	0.5
163.00323	0.6
163.07703	0.6
178.99893	1.5
179.14381	1.0
191.14388	0.6
193.16022	0.7
201.12839	1.6
203.10727	0.6
203.14426	1.2
204.11523	3.4
219.13904	6.1
220.14204	0.5
221.15475	18.0
222.15811	1.5
223.13397	21.9
224.13776	1.7
226.59227	0.5
237.14951	1.2
239.16493	1.4
240.34937	0.4
241.01521	2.7
242.02081	1.1
243.03023	1.0
245.00818	0.8
247.13327	0.8
255.03030	2.0
263.12885	18.9
264.13199	1.3
265.14456	5.1
270.01703	2.0
271.02481	6.6
272.02734	0.7
283.15524	100.0
284.15839	7.8
285.04016	0.5
289.14322	0.5
298.01248	1.4
299.01981	3.0
300.02786	4.3
301.03506	12.5
313.03946	0.6
313.16550	8.0
325.16605	1.7
341.02786	0.7
395.90961	0.5
409.18521	0.7
445.07825	5.1
445.16110	1.7
445.20959	12.2
446.08044	0.9
446.21213	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83281	1.8
57.03442	3.3
58.00590	3.2
59.01382	100.0
71.01393	45.0
72.99311	6.9
73.02950	40.8
77.48611	2.2
83.01401	4.3
83.47974	1.9
85.02950	18.6
85.44462	2.0
86.00078	2.2
87.00887	21.1
87.04523	6.8
87.47959	1.9
89.02457	34.0
99.04557	2.7
101.02451	46.4
103.04007	20.6
113.02448	9.1
115.04027	14.9
119.03563	12.7
119.05041	44.6
125.02464	5.6
131.03528	14.6
137.06070	3.5
143.03525	22.1
145.05058	8.0
149.26939	2.1
163.06126	42.1
205.07195	34.5
230.21793	2.4
299.11325	7.5
346.94992	2.6
349.47040	2.1
445.17136	71.0
446.17447	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41187	1.5
52.80930	1.9
55.01875	5.9
55.18436	2.0
57.03445	7.2
58.00587	4.9
59.01381	100.0
71.01389	97.2
71.01686	1.5
71.01797	1.8
72.99326	4.8
73.02954	34.0
83.01386	18.5
85.02958	45.9
87.00889	5.5
87.36095	1.8
88.71569	1.9
89.02451	40.7
95.01395	8.7
99.00896	11.8
101.02450	99.6
113.02461	40.3
117.02013	2.5
119.03513	18.3
125.02431	5.9
131.03471	3.5
137.09746	3.9
143.03499	6.0
159.03006	5.6
161.04561	44.9
161.05893	3.3
179.05623	7.4
192.07826	1.8
223.13519	2.6
247.08295	2.3
269.04520	2.8
283.11935	48.8
283.15390	7.4
284.12256	4.0
421.18311	2.2
445.17087	21.0
445.21542	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	5.4
57.03450	3.3
58.00602	3.6
59.01383	100.0
69.10603	2.5
69.11018	5.8
71.01386	93.9
72.99303	3.9
73.02950	16.2
83.01394	14.1
85.02953	34.4
86.00087	1.6
87.00874	10.6
89.02454	67.5
95.01398	6.3
97.02954	3.1
99.00888	7.6
101.02452	62.2
113.02467	39.9
119.03512	26.0
123.04549	1.7
125.02464	3.1
125.74539	1.2
131.03525	17.5
135.58221	1.3
137.73518	1.1
143.03470	7.3
149.04591	1.9
159.02966	5.3
161.04567	32.4
162.04924	2.1
179.05626	50.2
187.11263	1.5
195.04756	2.2
195.81396	1.1
218.49457	1.3
221.06689	56.4
222.06995	2.2
236.15562	1.3
263.07718	12.3
378.06329	1.1
385.92160	1.2
445.16699	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.5
55.02098	0.8
57.03452	4.3
58.00589	2.8
59.01385	78.1
69.22197	3.0
69.22622	2.8
71.01389	61.6
72.99311	2.9
73.02948	6.5
73.32700	0.7
83.01386	6.4
84.02158	1.1
85.02959	37.3
87.00887	4.0
89.02452	42.5
91.97489	0.7
95.01398	14.0
99.00874	2.8
101.02453	32.6
102.02809	0.8
113.02464	100.0
114.02809	2.3
119.03507	12.6
121.02915	0.7
125.02520	0.7
131.03532	3.1
143.03528	6.6
149.04591	1.6
152.03548	0.9
159.03026	0.7
161.04575	21.7
179.05626	10.8
205.12396	1.6
225.82672	0.7
265.14450	1.4
275.15854	0.7
283.11954	0.9
283.15509	1.9
445.16034	3.9
445.21460	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26518	1.5
55.01874	9.4
57.03450	8.6
58.00590	4.6
59.01385	98.3
67.94505	1.7
68.99815	1.7
69.11460	12.0
70.32644	1.6
71.01387	100.0
72.99311	5.6
73.02956	26.8
78.22350	1.6
83.01389	18.0
85.02962	47.7
87.00874	5.2
89.02453	35.6
95.01398	7.1
97.02941	4.7
99.00878	10.2
101.02454	97.4
102.02767	2.9
104.28175	1.8
113.02460	40.8
119.03501	14.7
123.04536	2.0
125.02441	5.4
129.01990	2.0
131.03549	1.9
137.09746	2.3
143.03496	6.0
159.03043	8.4
161.04578	40.4
162.05115	1.8
179.05609	10.0
221.06641	3.3
247.08331	1.9
264.74774	1.9
265.14392	2.1
269.04584	9.6
283.11902	45.2
283.15347	5.2
284.12201	3.4
341.04599	1.6
378.81091	1.8
385.19098	2.0
432.24155	1.9
445.16077	21.5
445.21671	7.6
446.17383	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87594	1.2
55.01870	4.6
57.03436	4.8
58.00594	2.5
59.01383	100.0
67.48898	1.2
69.09205	9.3
71.01386	82.1
72.01712	1.2
72.99308	3.8
73.02585	1.8
73.02956	17.0
75.00890	1.4
83.01399	10.1
85.02458	1.2
85.02953	31.1
87.00869	12.1
89.02451	62.5
89.90113	1.1
91.49242	1.3
95.01401	7.4
96.97027	1.4
98.04748	1.1
99.00874	5.4
101.02452	65.0
113.02462	43.2
119.03503	26.6
123.04565	2.1
125.02427	2.9
129.01958	1.4
131.03531	16.8
133.13974	1.1
143.03513	9.0
149.04553	3.5
159.02954	4.5
161.04587	30.3
174.24144	1.1
179.05627	41.0
180.05945	2.2
189.52322	1.2
221.06679	60.9
222.06952	3.2
263.07727	10.8
269.04559	1.8
335.05167	1.2
445.16730	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	14.0
61.98836	4.7
67.29044	2.7
70.17931	8.0
82.34798	2.8
96.95997	5.6
108.50349	2.8
167.20581	2.6
198.41391	2.9
255.03114	3.8
269.08221	10.8
281.08267	31.6
284.10431	8.1
296.10608	15.2
297.07712	10.9
299.12955	5.3
305.11606	2.8
308.06909	9.5
308.10385	3.5
309.07700	16.3
311.09573	2.8
311.12912	11.6
312.10303	3.3
323.09265	9.0
324.09933	10.5
325.07220	17.0
325.10464	6.7
327.12656	14.4
338.11707	3.4
339.12341	22.5
340.09454	5.8
353.13947	9.7
354.14343	4.7
355.11893	56.4
356.12152	6.5
370.14203	38.5
371.14529	4.2
385.16599	100.0
386.16925	10.3
404.24149	2.9
406.86099	3.2
445.29767	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2082
Annotation	Dendroside G
Peak:m/z	Relative Intensity
50.78461	1.1
55.01864	1.6
57.03450	16.3
58.00618	1.4
59.01379	52.5
63.02409	2.1
65.00305	2.8
69.03451	1.8
70.96483	1.3
71.01383	35.4
71.29639	1.5
72.99309	1.8
73.02949	15.8
83.01385	7.0
85.02960	13.5
89.02447	26.6
93.03480	1.7
95.01408	1.5
97.02957	2.6
99.00901	6.6
99.04539	3.3
101.02443	23.4
107.01386	8.2
109.02955	3.8
113.02457	17.2
119.03519	8.3
121.02991	8.0
121.68108	1.2
125.02475	5.5
131.03516	6.7
135.04555	15.3
143.03476	1.9
149.04572	5.5
151.00365	27.2
151.03882	1.3
151.07753	2.0
159.03044	1.7
161.02496	1.8
161.04567	10.5
163.00392	3.9
168.90196	1.4
178.99869	13.4
179.03496	13.4
179.05626	1.8
179.14384	1.9
183.04347	1.5
191.05595	1.7
193.01593	1.6
201.05577	1.8
203.14510	1.6
204.11632	1.4
208.11887	1.3
211.04047	1.9
219.13812	1.5
221.15488	9.0
223.13397	42.4
224.13806	2.5
227.03488	3.9
229.05138	2.2
239.16496	2.6
241.01721	1.6
243.02950	6.7
245.04483	2.0
247.13412	15.7
255.02995	15.5
263.12885	4.2
265.14523	6.8
271.02457	28.6
272.02966	3.6
273.04187	2.3
283.02478	2.9
283.15518	100.0
284.15839	8.3
295.02249	1.4
300.02759	32.8
301.03531	97.2
302.03931	8.0
313.16602	13.4
325.16647	3.0
445.07794	14.1
445.20798	36.3
446.08136	1.7
446.21188	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49092	1.0
57.03453	1.2
58.00594	0.8
59.01384	100.0
69.65830	2.9
69.66236	1.1
71.01389	19.0
72.48937	0.9
72.99310	1.1
73.02995	1.5
83.01399	1.9
85.02957	3.7
85.52130	0.8
87.00889	1.0
89.02455	27.4
90.87684	0.8
94.14301	1.0
95.01394	1.1
97.45014	0.9
98.22639	1.0
101.02451	16.4
108.02203	1.1
113.02470	6.5
115.33751	0.8
117.42023	0.9
119.03508	12.7
120.58449	0.8
131.03487	0.9
137.09689	0.9
143.03499	2.1
161.04556	4.4
164.00694	0.8
165.09209	1.2
168.65877	0.8
179.05598	9.3
223.13400	8.6
227.91936	0.9
229.12169	0.8
235.13385	2.2
237.15018	2.0
247.13434	1.3
265.14447	3.3
283.11929	1.5
307.15402	1.0
384.32556	0.8
445.21057	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.00667	1.3
71.01389	22.5
72.99316	1.6
85.02958	2.9
87.00900	1.8
89.02450	35.3
101.02456	13.0
106.69200	1.4
113.02474	10.2
119.03523	14.0
131.03540	1.4
134.40712	1.6
143.03543	3.6
147.80618	1.2
153.09291	1.4
161.04555	4.3
179.05634	14.9
385.18442	1.8
429.07727	1.2
452.38150	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2084
Annotation	Dendroside G
Peak:m/z	Relative Intensity
57.03465	0.7
58.00596	1.5
59.01383	100.0
60.01709	1.1
60.23587	0.7
61.98841	0.7
63.07910	0.7
64.11840	0.7
69.21614	1.0
69.22013	5.1
71.01386	27.6
72.99314	1.9
73.02953	1.1
79.64891	0.7
83.01403	1.0
83.05039	1.5
85.02963	3.9
87.00900	1.9
89.02452	43.3
90.02785	1.0
95.01418	2.0
101.02452	14.4
101.03027	1.2
113.02458	11.9
119.03509	12.8
121.06629	0.9
131.03558	2.1
141.00162	1.4
141.97562	0.7
143.03532	3.9
149.04584	2.4
151.04050	2.8
152.07210	0.7
161.04530	3.9
173.02841	1.4
177.31055	0.6
179.05618	16.8
180.06110	1.2
229.26259	0.7
229.47353	0.8
230.63652	0.7
252.97733	0.8
260.47778	0.8
283.08109	0.8
283.15735	0.9
390.66138	0.9
445.20908	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2082
Annotation	Dendroside G
Peak:m/z	Relative Intensity
56.71132	1.5
59.01381	100.0
60.01708	1.4
66.87711	1.2
67.01844	1.2
69.17791	10.7
71.01384	18.0
73.02972	2.0
83.05009	1.9
85.02973	3.3
87.00906	1.6
89.02452	29.4
89.36295	1.3
95.01395	2.2
98.21735	1.3
101.02442	11.1
113.02448	9.9
119.03522	14.5
123.04491	2.0
143.03497	3.5
149.04558	1.6
161.04604	6.1
179.05623	15.6
179.10709	1.6
194.66286	1.3
195.04813	1.5
205.12227	1.4
209.11897	1.8
283.15561	1.5
365.78903	1.4
414.14136	1.3
445.20731	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2083
Annotation	Dendroside G
Peak:m/z	Relative Intensity
59.01382	3.2
69.40176	1.4
69.40567	0.3
71.01379	1.8
72.99329	0.3
75.64826	0.2
81.81828	0.3
84.02168	0.4
85.02934	0.5
89.02461	1.5
101.02454	0.9
113.02438	0.7
119.03487	0.3
151.00372	0.3
161.04382	0.2
163.11310	0.5
181.12315	0.5
191.14388	1.8
193.16011	0.6
203.14441	1.6
219.13873	0.5
221.15471	30.6
222.15834	2.2
237.14984	3.2
239.16521	0.5
247.13470	0.4
255.03127	0.6
265.14462	6.3
266.14789	0.5
271.02466	1.4
283.15530	100.0
284.15869	8.7
300.02716	2.0
301.03543	2.5
307.15491	0.5
313.16736	0.3
320.97650	0.3
325.16647	1.8
445.07654	1.3
445.20801	13.1
446.21069	1.6
455.62888	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2081
Annotation	Dendroside G
Peak:m/z	Relative Intensity
50.86386	0.8
55.01872	1.2
59.01389	13.7
65.00315	1.5
69.01672	1.8
69.02070	5.1
71.01385	9.2
73.02928	1.0
75.00849	0.9
83.01399	1.4
85.02943	3.6
87.00901	1.6
89.02464	5.5
93.00611	0.9
101.02453	3.9
107.01399	1.8
113.02467	2.0
119.03486	1.7
125.02410	1.6
151.00374	7.7
161.02475	1.6
163.04053	0.8
178.99864	3.3
189.01848	1.3
191.03511	1.0
191.14374	2.5
193.44550	0.9
203.14447	2.7
206.85669	0.8
217.16158	1.1
221.15474	38.1
222.15805	2.2
237.14920	9.1
245.15428	0.9
251.03506	0.7
265.14429	8.0
267.15991	3.1
269.04419	1.3
270.01541	0.8
279.15887	1.5
283.15524	44.1
284.15811	3.4
289.14423	1.8
295.02615	2.0
297.04037	1.2
301.03543	1.2
307.15427	1.2
313.03522	2.2
323.01947	2.6
325.16553	8.5
326.17172	1.1
327.01318	1.9
341.03024	6.3
427.19772	2.8
445.07846	24.3
445.20792	100.0
446.08044	2.5
446.21246	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2965
Annotation	(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Peak:m/z	Relative Intensity
56.38671	0.2
57.03452	0.3
58.37201	0.3
59.01370	0.7
60.99300	0.3
65.57243	0.2
69.07407	2.3
116.06804	0.3
138.37706	0.2
180.04305	0.3
184.71994	0.2
209.11852	0.4
215.86803	0.3
271.02417	0.5
299.01993	0.6
310.22195	0.3
355.26654	0.4
367.26746	0.3
371.29654	0.4
376.79401	0.3
383.29495	3.0
384.30026	0.4
397.27393	0.3
399.29059	0.6
401.30524	1.7
409.27670	0.5
415.28555	0.7
427.28577	4.9
428.28897	0.7
445.29626	100.0
446.29953	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2962
Annotation	(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Peak:m/z	Relative Intensity
53.20383	0.6
55.02881	0.7
59.01374	2.1
98.22650	0.9
98.97472	0.6
110.19333	0.6
121.02964	1.0
169.97935	0.7
174.56377	0.8
209.11880	1.0
241.01483	1.2
241.04970	0.6
245.00829	0.8
270.01736	1.4
298.01163	0.7
299.01773	1.6
323.04926	0.6
334.50586	0.6
355.26593	0.9
367.26648	0.7
371.29562	2.3
383.29501	4.7
397.27612	1.3
401.30695	1.8
409.27390	1.1
415.28363	1.7
427.28595	9.7
428.29062	1.0
445.29642	100.0
446.29935	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2963
Annotation	(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Peak:m/z	Relative Intensity
59.01379	2.3
61.98839	0.4
69.05661	1.8
69.06070	0.9
71.01363	0.3
78.95902	4.1
85.06605	0.4
96.96992	0.6
150.45688	0.4
150.82082	0.4
151.00394	0.4
152.99586	6.7
162.32872	0.3
195.14102	0.3
209.11871	0.5
214.02692	0.4
217.58653	0.4
241.01477	1.3
245.00861	0.4
271.02448	0.7
298.01303	0.5
299.01999	1.0
339.12656	0.5
355.11789	0.5
355.26761	0.7
367.26514	2.3
383.29605	5.5
384.29889	0.9
385.16626	1.2
409.27478	4.1
410.27759	0.4
427.28574	15.8
428.28949	1.8
445.08163	1.0
445.29633	100.0
446.29974	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48192	0.3
57.03435	1.1
58.00579	0.8
59.01369	1.3
66.91974	0.3
67.98450	0.3
69.03461	0.4
71.01381	0.8
71.31085	0.5
72.89352	0.3
73.02971	0.4
83.05037	0.4
87.04494	0.6
109.06586	0.8
116.17287	0.3
146.16376	0.4
153.12871	1.7
155.14441	6.7
169.16037	0.6
183.13936	2.7
185.15488	2.4
195.17519	1.9
199.13406	4.7
207.10201	0.6
209.11806	2.8
209.19171	0.4
211.13441	0.9
213.14992	0.4
223.17059	1.9
225.11211	0.8
227.12888	0.7
229.12230	0.7
229.14455	8.4
237.18887	0.3
239.16512	1.1
241.01515	0.6
241.14384	0.7
241.18138	3.0
243.16014	0.6
246.01262	0.4
251.16689	0.4
253.18199	0.7
255.16092	0.5
257.17563	0.6
259.19110	1.2
271.02600	0.8
287.18542	0.5
299.01874	1.0
379.95679	0.4
389.30640	0.6
391.32120	0.5
407.31998	0.3
409.33231	0.7
425.32660	1.1
427.28653	0.9
427.34177	5.7
428.34338	0.6
443.33707	6.5
444.33881	0.6
445.07602	1.0
445.30063	4.7
445.35342	100.0
446.35663	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.8
58.00595	3.0
59.01386	100.0
69.20569	19.8
71.01394	42.5
72.99314	2.3
73.02947	4.3
74.67413	2.5
79.32746	2.1
82.33343	2.3
83.01395	3.7
85.02959	11.7
87.00878	6.0
87.19910	2.3
88.17802	2.2
89.02453	55.5
96.96960	4.0
101.02444	26.3
102.02759	2.7
108.02253	2.9
113.02473	21.9
119.03514	23.9
119.58833	2.8
125.02485	4.9
125.92484	2.5
131.03502	3.8
143.03494	4.6
161.04570	13.5
179.05640	17.3
183.18694	2.2
191.05653	8.5
267.16092	3.1
276.11832	2.3
285.13681	3.0
285.17023	12.1
327.04944	3.6
403.19888	3.4
446.21069	7.2
447.23065	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
63.51015	4.8
70.59309	12.9
78.21067	4.9
78.87168	4.4
85.57762	4.6
104.68258	5.7
142.78072	4.9
142.98979	4.6
161.86314	5.1
163.07663	62.8
183.18233	4.6
233.08022	5.0
300.19894	5.4
446.37686	100.0
447.38129	12.0
464.04330	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0724
Annotation	XL147
Peak:m/z	Relative Intensity
55.01865	0.4
59.01381	7.3
69.53499	1.5
70.05484	0.3
71.01382	3.5
73.02953	0.6
83.01379	0.6
85.02960	1.2
89.02443	1.8
89.82321	0.6
92.67420	0.4
95.05041	0.4
99.00882	0.6
101.02451	2.3
104.91716	0.4
109.02979	1.1
113.02475	1.3
123.04541	4.8
131.03471	0.7
141.35738	0.4
151.03986	0.7
161.04575	1.2
167.05000	0.7
183.04472	0.6
185.06018	0.4
195.04506	1.4
196.05260	0.6
198.03172	0.6
210.03171	0.5
211.04010	3.0
212.04674	0.8
213.05559	0.9
223.04002	3.0
224.04706	0.8
226.02527	0.4
227.03554	0.8
231.63869	0.4
239.03529	6.2
240.04225	1.7
247.13466	0.5
249.14861	0.6
251.03523	3.1
252.00528	0.5
255.02980	1.4
266.02255	1.0
267.02988	15.6
268.03748	6.1
269.04489	0.7
278.02121	0.5
279.03052	0.6
282.01749	4.6
283.02527	3.7
284.03162	1.3
285.04010	1.5
293.00912	2.2
294.05350	0.6
295.02484	65.6
296.03180	23.2
297.03879	3.9
300.02759	0.8
301.03537	0.5
309.04065	1.9
315.18164	1.5
322.01273	0.6
323.01981	7.6
324.02393	0.8
325.03555	1.5
328.02338	1.7
337.03519	1.3
338.04309	0.6
403.08319	1.2
429.08194	0.6
429.14746	0.4
447.07227	100.0
447.22131	2.4
448.07544	10.7
469.11325	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84477	0.5
57.03440	1.0
59.01385	9.2
64.06047	0.5
64.31758	0.6
69.08536	5.5
71.01391	6.1
73.02959	1.2
77.20399	0.6
79.95744	3.6
83.01360	0.8
85.02951	2.2
89.02461	3.7
89.82315	0.9
95.05026	0.8
96.95998	0.9
101.02457	3.8
108.02197	0.5
109.02960	1.6
113.02435	2.5
121.02913	0.6
123.04535	5.2
125.02443	1.5
129.53645	0.6
135.04498	2.4
136.04845	1.3
137.05003	0.7
150.03214	0.6
151.00397	1.2
151.03882	0.9
161.04567	2.3
167.05008	1.0
171.04530	1.0
178.99893	0.9
179.03438	2.1
180.03819	1.5
181.04048	1.1
183.04463	1.2
195.04510	1.7
199.03978	2.1
207.04539	0.9
211.03943	2.6
211.13454	1.4
212.04694	0.9
223.04010	2.6
223.17017	0.9
224.04613	0.9
225.14948	1.8
226.02826	0.8
227.03523	6.6
229.26799	0.6
233.57544	0.6
239.03413	3.6
240.04205	1.7
241.04987	0.6
243.02994	0.7
247.13455	2.7
249.14873	1.3
251.03394	2.8
255.03064	5.9
256.03488	0.9
257.04388	0.6
266.02347	0.7
267.03033	5.1
268.03741	2.3
269.04501	1.0
271.02411	1.9
282.01730	6.8
283.02481	5.3
284.03281	5.6
285.04022	8.6
285.17169	3.7
295.02481	64.8
296.03146	18.7
297.03961	6.0
300.02759	2.6
301.03506	2.1
303.04254	1.1
309.04297	3.1
310.04446	0.7
315.18033	1.8
321.04190	0.6
322.01151	1.4
323.01990	12.9
324.02136	1.1
325.03445	2.7
327.18414	1.3
328.02289	2.9
337.03345	1.7
339.05032	1.0
361.40366	0.6
365.01886	0.7
395.87198	0.6
411.20224	0.8
429.07831	2.0
447.07166	100.0
447.21921	8.4
448.07486	12.2
448.22540	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	2.1
69.07772	7.9
69.08176	2.1
73.92524	0.9
87.58504	0.9
93.03455	1.0
98.41335	1.0
107.01398	3.2
108.02199	1.9
109.02962	3.0
113.55007	0.9
121.02969	3.9
135.68599	0.9
148.01682	1.6
151.00363	17.3
163.00391	4.1
178.99879	11.4
199.12900	1.0
211.04102	0.9
222.28337	1.2
226.02542	1.0
227.03531	4.0
229.05013	1.3
243.02934	7.3
245.04594	2.7
254.02261	1.8
255.03004	25.6
256.03458	2.2
271.02490	46.7
272.02927	5.7
273.04068	1.9
283.02420	3.0
299.01917	1.6
300.02765	100.0
301.03510	85.2
302.03931	6.5
405.69455	1.0
447.09341	62.0
448.09543	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0935
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
59.01378	2.0
61.98834	3.3
63.02389	0.4
65.00307	0.4
69.63715	0.3
69.64059	1.1
83.01393	0.5
85.30451	0.3
89.02451	0.6
93.03421	0.4
101.02435	0.3
103.10160	0.2
107.01404	0.9
109.02953	0.3
117.03564	0.3
119.03465	0.3
125.02451	0.7
132.02165	0.3
133.03040	0.3
135.00870	0.6
143.04968	0.3
151.00374	3.8
153.01962	0.3
161.02510	0.4
163.00381	0.7
165.01939	0.3
169.01401	0.6
169.91765	0.3
171.04430	0.4
173.06137	0.3
174.03227	0.6
175.04045	0.3
178.99855	0.5
183.04536	1.0
185.06038	0.6
187.04033	0.7
197.06052	0.3
199.03978	0.4
211.03995	2.3
213.05649	0.5
214.02374	0.3
219.93715	0.3
227.03510	75.1
228.03844	5.3
229.05029	2.3
239.03371	0.7
240.04167	0.3
241.05106	0.7
243.02876	0.4
255.02992	95.9
256.03583	13.2
257.04510	1.4
267.02856	0.3
267.06580	0.3
267.15982	0.4
269.04492	0.3
283.02496	0.4
284.03275	79.8
285.03976	26.8
286.04303	1.6
299.05930	0.3
327.05093	1.6
447.09341	100.0
448.09698	11.6
448.14624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03661	0.8
50.97937	0.9
69.26010	1.5
69.26421	4.4
70.80972	0.8
82.77901	0.8
88.79844	0.6
100.54497	0.8
101.63011	0.9
107.01329	0.8
109.02952	0.9
113.24667	0.8
113.50285	0.9
113.92388	0.7
119.12428	0.7
151.00366	3.2
174.25694	0.8
183.04527	1.9
191.05650	1.1
211.04076	2.1
227.03514	53.8
228.03854	2.9
229.05115	1.1
239.03319	0.8
243.02921	1.1
255.02989	68.6
256.03558	10.1
257.04517	1.4
271.02466	7.1
284.03275	52.0
285.04016	24.2
286.04352	1.8
300.02832	12.3
301.03531	11.3
327.05222	1.4
335.54071	0.8
447.09332	100.0
448.09637	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54374	0.7
59.01374	2.7
61.98833	5.9
63.02387	0.9
67.83818	0.7
69.06243	6.4
71.01383	1.5
83.01386	1.1
107.01385	3.4
109.02940	1.3
121.02970	1.2
123.04533	1.0
125.02462	1.1
126.78172	0.8
131.80119	0.8
134.83974	0.8
137.02539	0.8
140.06406	0.7
148.01602	1.0
149.02464	0.9
151.00388	6.8
163.00359	2.2
171.04526	1.5
178.99843	2.1
183.04544	1.0
187.03983	1.2
199.03998	3.3
201.02034	1.4
203.03433	0.8
211.04111	1.3
214.02650	0.8
215.03519	3.3
226.02710	1.5
227.03522	26.7
228.03862	1.9
229.05130	1.4
242.02122	7.2
243.01114	0.8
243.03000	29.5
244.03394	3.0
255.03006	36.6
255.05707	1.8
256.03653	4.0
257.04633	8.5
267.12796	0.8
270.01740	5.5
271.02496	49.7
272.02930	5.4
276.40460	0.8
284.03290	22.4
285.04074	54.5
286.04669	7.1
299.02005	7.8
300.02762	33.3
301.03445	14.5
302.03693	2.6
303.04291	2.2
310.01596	0.8
314.04346	32.5
315.04968	6.0
429.08234	12.4
430.08456	1.2
447.09341	100.0
448.09720	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
65.00338	0.4
69.15678	2.8
77.06167	0.3
82.77884	0.3
83.01364	0.3
93.03452	0.5
98.14138	0.3
107.01397	1.1
125.02396	0.5
132.02257	0.5
135.00885	0.5
137.02487	0.4
151.00381	2.8
153.01906	0.4
160.33870	0.3
163.00392	0.4
164.01144	0.4
174.03130	0.4
178.99924	0.5
183.04524	1.4
185.02548	0.4
185.06053	0.5
187.03966	0.8
196.45316	0.4
211.04013	1.5
212.04527	0.4
213.05446	0.4
227.03505	72.6
228.03862	5.9
229.05034	1.7
239.03653	0.8
241.05058	0.4
255.02992	100.0
256.03577	12.7
257.04480	1.2
284.03265	74.3
285.03958	23.6
286.04385	1.2
327.05029	1.4
447.09344	91.9
448.09711	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91644	0.8
55.99131	0.8
56.56261	0.9
59.01374	1.3
61.80505	0.9
69.40080	6.0
83.01372	1.3
87.07485	0.9
107.01395	1.4
121.02940	1.5
123.08245	0.9
151.00381	9.4
163.00377	1.7
178.99834	5.4
180.39803	0.9
187.04079	1.3
199.03947	4.8
201.02005	1.9
211.03979	1.7
215.03551	3.7
226.02737	2.1
227.03506	15.8
232.98470	0.9
242.02176	7.4
243.02982	46.4
244.03441	1.3
245.04440	1.3
255.03006	20.6
256.03662	2.7
257.04599	12.9
270.01724	12.7
271.02487	61.6
272.02939	6.1
273.04077	1.2
283.02545	1.6
284.03308	9.6
285.04071	36.5
286.04733	7.4
299.01929	14.9
300.02728	23.5
301.03525	42.7
302.03708	2.7
314.04340	48.5
315.05035	16.4
429.08105	4.8
447.09341	100.0
448.09662	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.6
58.33993	0.6
59.01373	4.3
69.16044	5.7
69.48549	0.6
71.01384	7.0
71.07313	0.6
72.99301	0.6
73.02945	2.6
74.93778	0.6
85.02944	3.4
89.02441	2.8
95.01396	1.0
99.00912	1.5
101.02443	2.2
101.44858	0.6
108.02184	53.3
109.02978	14.9
113.02465	3.0
117.05613	2.2
123.04507	0.9
130.08784	0.8
135.04562	0.7
149.04582	1.4
151.03983	0.9
152.01163	100.0
153.01878	6.4
161.04526	1.7
163.04005	4.0
177.01938	1.4
233.06540	0.8
247.06186	0.6
281.68784	0.7
315.07388	1.4
447.11450	91.5
448.11685	8.7
461.86353	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.5
60.05749	0.3
62.96420	1.6
69.10534	2.1
69.10937	0.5
78.95911	51.5
96.96983	3.4
107.01419	0.5
109.02943	0.4
114.54230	0.3
120.36915	0.3
121.02977	0.5
148.01701	0.5
149.00107	24.5
151.00403	2.2
151.01511	0.5
152.99594	1.0
158.92525	2.2
161.71815	0.3
163.00459	0.4
173.65559	0.3
178.99837	1.0
179.01196	2.8
183.65752	0.3
205.15884	2.0
226.02785	0.4
227.03561	1.0
243.03090	0.9
255.03018	3.3
267.11523	0.4
271.02454	6.0
272.03079	0.5
284.03345	0.4
300.02783	9.8
301.03561	8.5
302.03873	0.5
336.89111	0.4
338.66876	0.3
347.08221	0.4
417.12579	1.1
431.10291	3.2
447.13602	100.0
448.14008	9.3
464.10245	0.4
467.62491	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.0
57.03454	10.6
58.00589	3.5
59.01381	66.9
64.54330	1.5
69.03463	9.9
71.01384	85.0
71.29292	1.5
72.99316	4.1
73.02953	12.2
75.00875	3.5
75.92799	1.2
77.03581	1.5
81.03457	6.4
83.01395	14.2
85.02953	12.0
87.00861	1.9
89.02452	99.7
93.03442	2.4
95.01402	6.6
97.02944	11.4
99.00888	22.7
99.04528	1.8
101.02455	22.4
108.02223	1.4
109.02969	6.7
111.00893	3.8
113.02461	9.6
115.04024	9.1
119.03499	2.4
121.02978	3.0
123.00895	36.2
123.04550	5.2
125.02454	100.0
126.02827	2.4
127.04035	1.5
131.03491	10.0
136.01643	1.8
137.02449	20.1
138.03252	42.6
139.04036	2.6
143.03506	4.2
145.02972	2.3
147.00928	1.4
149.02495	3.2
149.04546	12.5
151.04031	6.8
153.01978	2.4
153.05582	14.0
159.03091	1.5
161.02454	2.7
161.04556	10.3
162.01686	1.2
164.01135	2.2
164.98677	2.6
165.01935	2.0
167.03491	7.2
175.04044	2.5
177.01933	12.9
179.03468	1.5
179.97456	1.7
181.03210	1.3
187.04054	1.9
188.04962	1.2
191.05638	9.0
196.97717	2.2
206.99736	10.6
221.98451	3.6
227.03641	1.9
233.04344	2.2
233.06660	40.0
237.00810	5.5
238.98709	5.5
243.03116	2.5
246.99240	2.5
249.00815	20.9
250.01131	1.5
251.99661	1.6
252.96686	3.8
253.00299	1.4
253.97450	1.8
255.03145	2.3
256.03723	1.4
259.02774	2.3
265.00302	1.7
273.04614	1.7
274.01447	1.5
275.99603	1.2
277.00525	2.2
277.04059	3.4
279.01984	2.2
280.99808	7.1
283.02841	5.8
284.03329	10.0
285.00980	1.9
285.03955	11.5
289.07248	4.7
291.01807	1.5
293.08804	30.9
294.09000	2.6
297.03830	1.4
299.02396	2.0
301.03806	8.3
303.01962	2.6
309.00854	1.5
315.01859	2.5
315.10773	1.7
319.04889	1.5
325.03873	2.0
327.01767	9.4
343.04929	9.5
345.02921	6.1
359.00964	11.8
369.02914	5.4
387.03983	86.5
388.04178	6.9
447.08777	4.1
447.15143	4.3
447.22009	3.0
467.08987	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.0
56.35726	0.7
57.03439	2.8
58.00593	1.2
59.01380	16.4
69.74130	3.5
71.01388	45.2
73.02583	1.1
73.02956	16.2
83.01367	4.6
85.02953	17.9
87.00876	2.3
89.02456	9.9
95.01399	4.4
97.02942	1.9
98.22491	1.5
99.00884	19.5
101.02449	23.8
101.03120	1.1
109.02967	2.3
113.02460	20.7
121.02946	1.8
123.00897	59.7
123.04516	0.8
124.01204	1.4
125.02456	8.9
131.03508	3.1
137.02451	2.2
138.03244	100.0
139.03535	4.3
143.03510	4.1
149.02400	0.9
151.04024	0.9
153.01956	3.5
153.05588	58.3
154.05876	2.2
159.03014	4.5
159.04150	0.9
161.04565	54.4
162.04918	1.6
167.03464	1.3
167.08710	0.8
175.03967	1.1
177.01881	2.2
191.05592	2.8
202.91173	0.8
205.03545	1.6
249.00838	1.8
283.02719	1.2
285.03998	1.6
289.07172	1.3
301.03802	1.8
315.10953	6.2
359.00909	1.1
381.74167	0.8
387.04013	4.5
388.04538	1.1
407.08005	1.1
413.44595	0.8
434.32651	0.8
447.15152	45.1
448.15530	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20692	1.9
55.01870	3.7
57.03448	4.5
58.00579	2.9
59.01386	40.6
60.57913	2.2
63.31857	1.8
69.10196	3.2
69.10600	13.2
70.58205	1.8
71.01392	62.5
72.99304	2.6
73.02954	25.5
75.00893	2.4
76.56828	1.6
83.01390	10.2
85.02957	31.8
87.00884	3.2
89.02464	21.4
95.01405	2.8
97.02956	3.3
99.00887	14.1
101.02453	51.4
113.02459	27.0
116.19756	1.8
119.03521	3.5
125.02496	4.1
131.03545	10.6
137.06091	2.2
143.03453	4.0
149.04558	2.8
151.00327	3.9
159.03030	4.8
161.04568	27.7
181.05072	7.5
183.13885	3.0
190.09673	2.0
197.02286	1.9
211.13409	27.2
212.13924	2.0
225.14941	2.5
227.03482	6.5
239.03615	2.3
243.02942	3.2
249.15002	21.0
253.09163	2.9
255.02966	8.0
267.02975	4.0
268.03772	3.1
271.02573	6.8
283.02670	2.5
284.03333	4.9
285.04111	6.1
285.17084	7.4
295.02515	18.7
296.03094	5.4
300.02707	4.7
301.03561	5.6
315.18134	54.3
316.18469	2.6
411.20200	3.3
447.07172	33.6
447.22369	100.0
448.07971	6.2
448.22565	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35351	2.3
53.36704	2.4
59.01390	16.9
61.98828	3.2
65.00334	4.2
66.04757	3.0
71.01385	10.2
73.02952	2.9
85.02958	5.2
89.02438	5.2
93.03454	4.2
98.21987	16.1
101.02436	5.3
107.01415	7.9
109.02981	4.0
113.02441	3.2
121.02954	6.0
125.02476	3.4
137.77324	2.6
144.49478	3.2
151.00330	17.9
163.00388	4.0
166.26450	2.7
178.02748	2.9
178.99930	8.2
187.04002	3.2
191.05608	13.7
211.13409	24.7
227.03581	11.4
243.02946	11.3
249.14954	50.6
250.15390	3.0
255.03017	37.5
256.03516	4.0
258.81918	3.0
271.02505	61.6
272.02853	5.1
284.03287	7.1
285.04156	6.6
299.01892	3.3
300.02762	100.0
301.03540	75.5
302.04175	4.5
447.09360	71.1
447.16522	4.2
447.18182	4.1
447.26340	10.7
448.09482	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20692	1.9
55.01870	3.7
57.03448	4.5
58.00579	2.9
59.01386	40.6
60.57913	2.2
63.31857	1.8
69.10196	3.2
69.10600	13.2
70.58205	1.8
71.01392	62.5
72.99304	2.6
73.02954	25.5
75.00893	2.4
76.56828	1.6
83.01390	10.2
85.02957	31.8
87.00884	3.2
89.02464	21.4
95.01405	2.8
97.02956	3.3
99.00887	14.1
101.02453	51.4
113.02459	27.0
116.19756	1.8
119.03521	3.5
125.02496	4.1
131.03545	10.6
137.06091	2.2
143.03453	4.0
149.04558	2.8
151.00327	3.9
159.03030	4.8
161.04568	27.7
181.05072	7.5
183.13885	3.0
190.09673	2.0
197.02286	1.9
211.13409	27.2
212.13924	2.0
225.14941	2.5
227.03482	6.5
239.03615	2.3
243.02942	3.2
249.15002	21.0
253.09163	2.9
255.02966	8.0
267.02975	4.0
268.03772	3.1
271.02573	6.8
283.02670	2.5
284.03333	4.9
285.04111	6.1
285.17084	7.4
295.02515	18.7
296.03094	5.4
300.02707	4.7
301.03561	5.6
315.18134	54.3
316.18469	2.6
411.20200	3.3
447.07172	33.6
447.22369	100.0
448.07971	6.2
448.22565	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03709	0.5
54.56078	0.5
56.03139	0.4
57.03453	0.9
59.01377	4.6
71.01393	5.0
71.31197	0.6
73.02967	2.0
76.11919	0.4
76.29781	0.5
78.95911	55.5
83.01405	1.3
85.02960	2.5
89.02476	1.2
96.96971	5.3
99.00932	1.0
101.02449	4.9
107.01404	1.0
109.02977	1.4
113.02473	1.7
119.03551	0.5
121.02971	1.3
148.01682	0.7
150.98012	1.8
151.00383	5.4
152.99597	100.0
153.99911	1.7
155.07150	1.7
159.02939	1.0
161.04616	2.8
163.00333	0.9
168.02664	0.5
171.00635	4.9
178.99835	2.1
183.04620	0.6
187.67651	0.4
199.03966	0.7
211.13385	1.2
226.02684	0.7
227.03519	2.6
231.01561	0.5
243.03004	3.9
245.04457	0.9
254.02307	0.5
255.02971	8.6
256.03366	1.1
270.99606	0.9
271.02509	16.4
272.02847	1.5
275.20160	0.5
283.02527	0.6
284.03156	1.2
285.03882	0.8
300.02759	25.4
301.03513	23.0
302.03741	1.0
390.44284	0.6
392.96735	0.5
447.09033	16.9
447.21741	9.6
447.27075	2.0
447.32803	4.5
448.09348	2.2
448.21826	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55635	0.3
58.30107	0.3
59.01376	0.9
63.02409	0.5
65.00329	0.4
66.75754	0.3
71.01376	0.5
71.30961	0.6
78.95911	57.7
96.96026	0.4
96.96964	7.3
107.01412	1.0
109.03017	0.9
113.09771	0.5
113.73827	0.4
121.02966	0.8
123.08200	0.5
135.00937	0.4
150.98076	1.9
151.00366	4.0
152.99597	100.0
153.99927	1.2
163.00433	0.7
171.00652	6.0
178.99850	1.9
190.73685	0.4
191.05760	0.6
191.29953	0.4
199.04111	0.5
227.03400	1.9
229.05104	0.5
243.02907	3.0
245.04556	0.5
254.02063	0.5
255.03014	7.4
256.03439	0.9
271.02496	12.1
271.05353	0.7
272.02966	1.6
273.04092	0.6
283.02661	0.6
284.03235	1.0
285.04144	0.6
292.71033	0.4
293.21353	0.7
300.02759	18.7
301.00043	0.7
301.03522	15.2
302.03970	1.2
318.35965	0.4
373.83200	0.4
446.30118	1.4
447.09372	14.3
447.21649	7.1
447.30356	9.5
448.09753	1.9
448.21964	0.6
448.30853	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.7
57.03455	1.3
59.01384	100.0
60.01714	1.0
61.82061	0.6
61.98841	0.9
65.91226	0.6
66.44092	0.6
69.03456	1.0
69.31185	3.2
69.31603	1.5
71.01387	17.6
72.99296	1.8
73.02959	2.0
76.87019	0.6
78.95917	3.8
83.01392	1.2
85.02976	2.9
87.00885	1.6
89.02454	21.6
89.71953	0.6
90.02759	0.8
95.01427	0.9
96.96037	0.9
96.96970	6.6
97.02970	0.8
101.02446	7.5
103.77385	0.6
109.02987	1.0
110.05496	0.7
113.02467	8.0
119.03516	8.7
123.04537	0.7
125.02488	2.6
128.45139	0.7
131.03560	1.2
135.04529	1.0
135.08269	0.9
137.02489	0.9
143.03526	2.0
149.04666	1.1
151.00404	0.7
151.04066	1.2
154.01518	1.8
161.02498	0.9
161.04562	3.9
165.09192	0.8
173.04575	1.3
179.05649	9.5
180.06258	0.6
191.05652	1.4
229.08667	0.9
255.03046	1.1
271.02609	1.0
273.04108	1.3
273.07721	1.5
284.03564	0.9
285.04172	0.8
285.13602	2.4
285.17093	1.6
300.02884	1.3
301.03784	0.9
327.05283	2.7
408.42661	0.8
447.09006	2.6
447.22989	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.2
58.00594	4.0
59.01385	83.2
63.88672	1.1
69.51096	1.1
71.01392	67.3
72.99318	2.9
73.02575	2.0
73.02955	22.5
76.00405	1.4
83.01398	3.9
85.02955	11.0
87.00866	2.6
89.02454	100.0
90.02786	1.3
94.00742	1.1
94.53664	1.0
95.01404	3.9
97.02955	1.6
98.21761	3.3
99.00886	31.3
101.02454	41.9
113.02465	22.9
113.03187	0.8
115.03995	1.0
118.88133	1.2
119.03508	17.3
125.02473	5.8
131.03534	16.3
143.03496	3.6
149.04572	46.5
161.04543	10.8
179.05602	5.8
181.08737	8.5
191.05632	16.6
233.06773	2.2
249.15054	3.1
251.07820	1.7
272.32813	1.1
315.18256	9.0
316.53720	1.1
447.22424	27.5
448.22607	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17238	0.7
55.01889	0.9
56.61449	0.7
57.03453	1.2
59.01383	100.0
59.23140	0.8
71.01386	19.3
73.02958	4.1
83.01416	1.3
85.02948	6.8
89.02451	7.0
93.05928	0.8
95.01421	1.4
98.22539	2.0
99.00909	1.8
101.02447	11.8
109.06669	0.8
113.02464	7.9
119.03542	3.2
138.06912	5.8
143.03540	1.3
153.02234	0.9
153.09229	20.7
159.03052	2.5
161.04567	17.3
179.05629	2.9
181.37357	0.7
191.05777	2.2
207.14029	2.3
225.14973	42.2
226.15439	2.8
372.77319	0.7
387.20325	13.4
388.20773	1.3
438.00583	0.7
440.79019	0.7
443.07349	0.7
447.22641	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01717	1.6
61.98842	8.7
67.97659	1.0
69.43436	5.2
71.01389	14.3
73.02966	2.6
83.01391	1.3
85.02963	4.3
87.00866	1.0
89.02453	18.7
98.22497	2.0
101.02451	10.3
101.47393	0.9
102.09507	0.9
104.34657	1.1
104.78331	1.0
105.66389	0.8
113.02464	8.9
116.92892	4.0
119.03503	10.1
125.02489	1.7
143.03548	2.2
161.04553	5.8
162.04880	0.9
179.05643	3.0
180.26044	0.9
197.04401	1.0
225.15033	2.7
225.67836	0.9
278.46609	1.0
387.20367	5.6
398.02490	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03461	1.8
58.00594	1.0
59.01384	100.0
61.98811	1.6
69.55653	5.3
71.01388	27.5
73.02949	4.9
83.01400	2.6
85.02951	10.1
86.23109	1.0
87.00901	1.2
89.02460	13.8
95.01383	1.9
99.00922	1.9
101.02446	18.4
113.02460	13.1
118.43281	0.8
119.03499	4.9
130.29597	0.8
131.03526	1.0
137.36345	0.8
139.11407	0.9
143.03561	1.2
151.26642	0.9
153.09203	2.5
159.02972	2.6
159.04404	1.4
161.04562	17.0
173.01743	0.8
173.04602	1.5
173.06010	1.4
179.05602	1.7
187.07671	8.1
191.05649	6.2
201.05589	2.1
202.06396	10.3
203.06659	1.0
211.07709	2.0
214.06577	1.0
216.07999	1.0
225.15015	7.4
229.08644	6.3
231.10272	10.7
255.06635	4.0
267.16107	1.1
273.07681	1.8
285.04047	3.0
330.81686	1.0
387.20248	18.2
388.20544	2.5
411.16620	49.0
412.16867	5.5
447.22342	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.8
57.03448	3.4
59.01388	25.0
59.09116	0.8
71.01390	49.3
72.01755	0.9
72.99310	1.3
73.02954	23.0
75.00874	2.0
79.90755	0.6
81.02754	0.7
83.01390	9.0
85.02962	23.1
87.00894	2.3
89.02450	9.7
91.56916	0.7
95.01399	4.4
97.02960	2.4
99.00887	10.2
101.02452	44.0
111.00868	1.7
113.02459	21.0
115.03979	1.7
125.02442	3.8
129.01971	1.0
131.03499	2.5
143.03528	2.3
149.04553	1.7
159.03029	4.2
161.04570	26.2
162.04961	1.1
211.13341	0.9
223.17023	1.0
227.03580	1.2
233.06763	1.9
248.48659	0.8
255.03024	1.3
282.01462	0.9
284.03348	1.2
285.03934	1.7
293.08701	1.0
295.02448	4.0
296.03003	1.5
315.18140	46.0
316.18671	3.9
447.08447	4.5
447.22379	100.0
448.22751	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50531	0.6
52.81703	0.6
56.05560	0.6
58.00599	0.7
58.33896	0.7
59.01383	100.0
59.57672	0.6
60.01738	1.0
71.01387	13.4
71.01750	1.1
72.88497	0.7
72.99332	1.0
73.02972	3.0
83.01402	1.1
85.02950	4.0
87.00890	0.8
89.02452	10.2
95.01424	0.8
96.96106	0.7
99.90575	0.7
101.02453	7.7
113.02457	5.8
119.03480	5.0
143.03542	1.4
158.24692	0.7
159.03069	1.0
161.04605	5.5
179.05611	0.9
180.34253	0.7
191.05727	2.9
214.06607	0.9
225.14928	3.6
229.08665	5.1
255.06790	1.0
260.47253	0.7
267.16031	17.0
271.54962	0.8
273.07635	0.8
285.04135	1.1
295.50113	0.8
387.20245	23.6
388.21075	1.4
447.22287	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63252	1.2
55.01869	4.3
55.66511	1.2
57.03448	5.6
58.00587	2.6
58.66885	1.0
59.01384	79.5
60.01689	1.2
71.01387	81.8
71.30711	1.4
71.31098	1.1
72.99288	3.5
73.02951	25.8
75.00862	1.1
83.01393	12.2
85.02956	37.0
87.00879	4.2
89.02457	33.6
95.01408	5.4
97.02950	2.2
99.00880	10.0
99.04538	2.0
101.02454	59.1
101.32121	1.1
109.02964	2.2
111.00874	3.3
113.02459	28.8
114.02773	1.1
119.03481	4.7
123.04580	5.1
125.02448	4.9
131.03520	21.2
143.03510	3.7
146.61285	1.1
149.04570	9.5
149.74982	1.1
154.68396	1.0
159.01891	1.2
159.03008	7.2
159.55643	1.1
161.04573	37.1
179.05461	1.3
205.03644	1.6
211.04018	3.2
211.13478	2.3
223.03970	2.5
223.16980	2.0
225.14964	18.7
227.03516	4.5
233.06688	2.8
239.03471	4.9
240.04210	2.2
249.14995	1.3
251.03508	2.6
255.02975	6.4
267.03003	13.5
268.03711	6.4
271.02368	1.6
282.01773	5.1
283.02319	3.1
283.84311	1.1
284.03162	4.0
285.04031	5.1
285.17087	16.9
286.17535	1.4
293.01035	1.9
295.02505	63.7
296.03168	22.9
297.03766	4.8
315.18137	57.8
316.18533	3.6
323.01938	8.0
325.03577	2.3
328.02039	3.1
338.04370	1.5
376.13840	1.2
384.21521	1.1
387.20233	2.0
429.07483	1.6
447.07254	100.0
447.22357	71.6
448.07495	13.7
448.22705	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.224
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
51.06178	0.8
55.01884	6.0
57.03451	5.5
58.00595	1.8
59.01383	47.2
67.96601	0.9
69.03447	3.3
71.01389	100.0
71.53870	0.7
72.01705	1.4
72.99308	2.7
73.02953	41.5
75.00868	3.4
81.03478	1.1
82.50813	0.8
83.01392	12.4
85.02957	42.5
86.03239	1.2
87.00896	5.5
89.02453	34.2
90.02789	0.9
91.23828	0.7
95.01388	7.5
97.02962	5.1
97.82041	0.7
99.00896	22.0
101.02451	67.5
102.02782	1.4
111.00926	0.9
113.02459	36.9
114.02787	1.0
115.04026	2.4
119.03506	4.9
125.02427	6.3
129.01927	1.7
131.03519	7.5
143.03526	6.2
149.04556	8.3
159.03029	8.2
161.04567	66.2
162.04900	1.3
174.18295	0.9
191.05611	3.6
205.03598	1.3
233.06709	4.3
293.08795	1.4
315.18137	43.0
316.18454	2.0
368.55139	0.9
447.22366	88.4
448.22571	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28956	0.6
54.38941	0.6
57.03454	0.9
59.01384	100.0
60.01697	1.5
61.98839	9.6
69.44456	2.1
69.44881	2.9
71.01390	8.8
73.02962	1.2
83.01382	0.9
85.02964	2.8
87.00914	0.9
88.41898	0.6
89.02453	11.0
98.22517	0.7
101.02458	4.7
113.02465	4.8
119.03495	4.6
123.17159	0.7
130.08020	0.6
143.03508	1.0
161.04558	4.2
179.05624	3.5
189.12880	1.5
191.05685	2.0
201.13895	0.6
205.06841	0.6
207.13995	1.0
251.02632	0.7
273.07782	1.3
300.03244	0.8
360.04871	0.9
387.20236	5.6
447.06897	0.7
447.22687	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59344	1.3
57.63198	1.1
63.65099	1.2
66.41164	1.1
69.77123	5.5
77.16116	1.2
78.95922	7.9
110.98555	3.4
136.14699	1.1
141.55994	1.3
152.99593	2.9
167.01207	1.8
177.18230	1.2
185.02202	2.3
195.66403	1.2
279.23303	100.0
280.23566	8.6
447.25241	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2756
Annotation	Isolinaritriol triacetate
Peak:m/z	Relative Intensity
53.17712	0.4
57.25792	0.4
59.01382	17.6
68.99708	2.6
69.00118	0.7
73.02957	0.5
78.95902	0.6
88.45677	0.4
94.58885	0.4
97.57983	0.3
98.10579	0.3
100.88332	0.3
107.01392	0.9
108.32825	0.4
115.27797	0.4
121.02927	0.8
151.00375	3.3
152.99577	1.0
153.48863	0.4
163.00389	0.9
178.99884	1.3
211.03978	0.4
226.02885	0.4
227.03500	1.2
243.02951	2.5
245.04604	0.5
255.03020	5.6
256.03491	0.5
267.65643	0.5
271.02515	10.1
272.02847	0.6
283.02536	0.8
284.03299	0.6
285.03897	0.4
300.02792	16.1
301.03525	13.9
301.06519	0.2
301.07120	0.4
302.03989	0.8
343.26398	1.8
369.36316	0.4
371.25879	1.0
387.25430	100.0
388.25790	14.8
403.32190	0.5
405.26511	6.7
406.27039	0.5
429.30240	0.9
447.09369	8.8
447.26974	3.0
447.31335	4.4
448.09500	1.2
448.32077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2755
Annotation	16-Feruloyloxypalmitate
Peak:m/z	Relative Intensity
69.51574	1.2
69.63287	5.4
70.11336	1.3
73.51063	1.3
78.95918	3.3
91.43617	1.2
98.22472	2.7
105.03462	4.6
110.98543	3.2
113.91788	1.2
117.07127	1.9
120.46783	1.2
130.79527	1.2
132.02170	7.2
133.02971	22.5
134.03757	14.2
135.04529	6.0
137.02467	5.9
148.05324	1.9
152.99533	4.2
160.01671	43.9
161.02489	9.1
161.06111	3.0
175.04018	100.0
176.04306	4.4
178.02713	2.0
179.03554	2.3
193.05101	7.5
226.84648	1.3
233.08130	2.0
242.37122	1.3
247.09821	2.4
254.84103	1.3
271.22791	10.6
279.23315	13.6
289.14355	1.8
317.17557	2.0
345.20724	5.1
415.24881	6.1
447.27585	76.9
448.28000	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.8
69.03436	0.6
71.30291	0.5
72.08118	0.4
80.02679	0.7
93.03487	1.1
106.04174	0.5
168.92488	0.4
257.73358	0.4
341.32153	1.1
350.20438	0.5
357.31604	0.8
359.33206	100.0
360.29245	0.8
360.33548	12.7
375.32565	0.6
385.31354	0.5
403.26901	0.5
403.32166	10.3
404.32559	1.5
447.31039	5.6
448.31201	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3118
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
55.49155	0.7
57.03436	2.7
59.01350	1.5
70.43039	2.3
82.23628	0.9
83.85725	0.9
95.75186	0.8
104.38805	0.8
140.12962	0.8
152.99521	1.1
180.94377	0.8
345.28085	5.8
346.28183	1.3
356.10696	1.0
389.27151	1.9
429.30032	10.5
430.30624	1.4
447.31168	100.0
448.31531	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3483
Annotation	Irisoquin E
Peak:m/z	Relative Intensity
53.93289	3.4
70.39965	3.5
90.04697	3.0
94.75967	4.0
98.21895	18.4
98.22614	9.0
137.06096	97.1
138.06395	4.8
147.78865	3.2
149.06088	3.1
164.04836	3.9
165.05580	100.0
165.06902	7.1
172.29498	3.6
198.07648	3.4
228.81165	4.5
340.33505	4.0
447.34814	93.4
448.35312	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3482
Annotation	Irisoquin E
Peak:m/z	Relative Intensity
60.99315	1.8
65.64671	0.9
69.00600	3.6
69.01025	3.7
70.98762	0.8
80.84006	0.9
98.21810	2.1
137.40488	0.9
193.73509	1.0
268.75943	0.9
329.28513	1.8
331.30240	1.6
333.59213	1.0
342.32828	1.0
343.30450	1.0
359.33188	9.0
360.33560	1.1
385.34863	4.4
407.27954	0.9
429.33728	2.5
447.34833	100.0
448.35150	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33905	0.5
50.86116	0.5
53.73572	0.5
54.07706	0.4
57.03447	0.5
59.01391	1.8
61.98837	100.0
65.00324	0.6
70.88549	1.0
70.88919	1.0
77.73137	0.5
83.01402	0.6
85.02989	1.4
87.00937	0.6
93.03463	0.9
94.75558	0.5
96.66507	0.6
97.09248	0.5
105.03492	0.9
107.01424	0.7
111.04589	0.7
125.02476	2.3
131.80858	0.5
133.02972	5.2
134.03766	6.0
134.04616	0.6
135.04575	3.1
137.02464	2.6
138.51343	0.6
151.00435	2.1
152.01277	0.5
155.03522	0.7
161.02553	0.8
162.03316	1.0
164.01167	0.6
165.01999	0.8
167.03569	0.9
173.04628	2.2
173.06079	0.8
175.07684	0.6
177.01990	3.0
178.02681	2.8
187.07735	1.7
191.01942	1.2
191.05624	4.6
213.09335	1.7
227.03456	1.3
228.03914	0.8
231.10263	6.2
245.93184	0.5
255.03156	1.0
256.03452	1.9
257.08301	2.1
259.06122	2.6
269.04553	6.7
271.02423	0.6
275.09286	17.2
278.96912	0.5
284.03210	0.7
285.03757	1.5
286.04373	1.0
287.05658	2.5
297.39746	0.5
300.02957	1.0
301.03265	2.0
302.03912	0.9
323.13150	0.7
367.12170	1.2
385.13022	0.9
431.10141	0.7
448.09680	4.5
448.22302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42337	0.5
52.54318	0.5
55.59321	0.5
57.03453	1.1
59.01384	29.2
60.01702	0.8
61.01837	0.7
61.98835	100.0
71.01376	4.1
71.29362	0.9
72.01711	0.6
72.99359	0.6
73.02959	0.7
83.01408	1.0
85.02969	1.6
89.02457	4.4
93.03519	0.9
101.02438	2.9
109.02996	1.3
113.02467	2.4
118.18868	0.5
118.38587	0.5
119.03536	1.6
122.03825	0.6
123.04553	1.9
125.02472	6.1
131.03479	0.7
137.02498	1.0
138.70439	0.5
143.03519	0.7
148.32143	0.5
149.02516	1.4
150.03278	0.6
151.04068	2.0
151.73718	0.4
161.02504	1.5
161.04636	1.9
165.02061	1.0
165.05609	0.7
167.03589	0.7
175.04065	0.8
177.02022	1.2
178.61655	0.5
179.05724	0.7
195.06750	0.6
201.05652	0.7
226.06711	0.5
269.04691	1.3
285.03964	0.6
285.44589	0.5
286.13345	0.5
286.17590	0.6
287.05801	1.9
287.09201	0.8
289.07315	0.8
311.05844	0.7
329.06885	0.9
388.04785	0.8
389.21991	1.3
401.16235	1.0
411.18610	0.8
412.19254	0.9
448.23068	0.7
449.10284	0.8
449.24954	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33822	0.5
53.30422	0.6
57.03454	5.6
57.45761	0.5
59.01385	20.7
60.01733	1.3
61.98835	100.0
65.00328	1.5
69.03452	1.3
69.42427	4.2
71.01389	2.8
81.03461	1.7
83.01408	3.8
85.02963	0.9
89.02444	4.2
93.03482	2.2
98.22469	1.1
101.02476	1.8
105.03418	0.5
107.01385	2.8
107.05067	1.1
109.03020	0.8
111.04577	0.7
113.02486	1.3
117.03487	0.8
119.03555	1.3
124.01750	0.8
125.02458	53.4
133.02997	0.7
137.02446	0.8
139.04057	1.2
141.54037	0.6
145.03006	0.7
149.02428	4.0
151.00380	11.6
152.01183	2.6
153.01949	4.3
158.03741	1.2
159.04570	1.7
161.04529	0.7
165.02025	0.7
167.03543	1.0
172.05388	1.0
173.04607	1.5
173.06139	3.1
175.04094	0.9
177.05710	1.8
178.99910	9.3
179.03561	2.5
179.05656	0.6
187.04080	0.7
187.07658	5.1
191.04047	0.8
191.05597	3.8
197.06189	1.2
199.07762	0.7
201.05675	2.3
202.06462	1.2
203.10886	1.6
215.07166	3.8
219.06650	0.6
225.05637	2.4
227.03609	0.6
231.10359	2.4
241.05087	1.4
243.06664	3.3
253.73349	0.6
259.06125	46.7
269.04559	41.7
275.09259	12.8
287.05630	34.8
287.08862	1.2
311.05804	1.9
342.06033	0.9
411.15988	0.6
431.10391	0.9
449.10822	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20799	0.3
57.40234	0.2
57.76050	0.3
59.01384	4.0
60.01724	0.3
61.98833	100.0
62.28337	0.3
69.09808	2.4
71.01384	1.5
85.02972	0.6
89.02470	1.1
101.02472	1.1
105.06294	0.2
108.02179	1.7
109.02991	1.0
113.02483	0.7
119.03516	0.2
121.03065	0.3
123.04584	0.9
125.02484	0.4
133.02972	0.7
135.04530	0.6
145.03032	0.4
147.00890	0.4
148.01735	0.5
150.03183	0.3
151.04056	0.4
152.01175	2.0
153.01976	0.6
161.04640	0.5
161.74852	0.3
162.03268	0.4
163.04056	0.3
168.80788	0.2
180.07993	0.3
191.05632	0.6
208.07404	0.3
224.87093	0.3
226.96017	0.3
267.84235	0.3
269.04651	0.5
284.06955	0.5
286.04623	0.3
287.05740	0.4
299.09250	2.8
307.08499	0.4
327.92636	0.3
330.11081	0.4
344.12888	0.7
345.13422	1.4
357.13556	0.8
386.00833	0.3
389.21878	0.4
419.17230	0.3
448.23001	0.5
449.11172	2.6
449.19006	0.4
449.24429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	7.7
59.01381	100.0
71.01387	31.0
71.30875	7.0
72.01691	4.5
73.02950	10.6
81.61523	3.9
83.01402	5.8
85.02966	12.7
89.02448	17.9
96.96031	3.7
99.00878	8.0
101.02456	22.0
113.02458	12.3
119.03508	6.1
120.73077	3.8
123.00892	9.5
123.04466	4.6
124.01261	5.4
125.02448	39.0
137.02493	7.2
138.03252	21.7
139.03601	11.3
143.03574	3.8
151.04187	4.5
153.05615	6.2
154.05969	10.2
161.02469	7.3
161.04550	14.0
162.04787	4.5
165.01915	4.3
167.03560	3.6
175.03993	7.4
179.05600	4.0
185.56358	3.6
191.05644	8.9
247.04988	4.1
259.06152	9.0
271.02417	4.1
273.04623	10.6
275.09235	11.4
275.19446	3.9
287.05676	13.0
334.83173	4.1
448.15829	9.3
449.09277	8.3
449.15024	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69577	17.7
59.01387	97.4
60.01703	16.7
61.98835	16.6
69.54399	44.5
69.54810	59.6
71.01382	88.5
74.93905	18.5
75.47202	17.9
85.02980	23.4
85.37579	16.8
89.02455	100.0
101.02451	54.0
108.86362	17.5
113.02480	35.1
119.03484	39.1
134.75861	15.9
161.04567	26.6
179.05620	32.9
191.05637	29.7
212.22414	18.9
318.38232	17.0
449.23944	54.6
469.74295	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96750	0.6
57.03450	4.6
57.20813	0.5
58.00591	0.7
59.01382	20.9
61.98813	1.3
63.02380	1.6
65.00323	3.2
67.01881	0.5
67.37793	0.5
68.13213	0.5
69.03449	0.5
69.08817	3.0
69.09246	2.0
71.01386	9.8
73.02937	2.2
81.03458	4.4
83.01390	6.7
83.05043	0.8
84.69859	0.5
85.02962	3.8
87.00890	1.4
89.02451	10.7
93.03456	6.2
95.01388	1.6
97.02961	1.2
101.02452	7.2
107.01402	4.6
108.02245	0.7
109.02980	2.4
111.00906	0.8
113.02462	4.5
119.03511	4.2
121.02960	1.4
122.03732	0.6
123.00845	0.6
123.04523	2.3
124.01659	2.3
125.02457	41.6
126.02761	0.9
131.01422	0.8
131.03484	0.9
131.05040	0.7
133.02948	2.9
135.04543	0.8
137.02451	2.3
139.04030	2.5
143.03523	0.8
143.05023	0.6
145.02885	0.7
145.06631	0.5
149.02457	3.2
149.04585	0.7
150.03209	0.7
150.99196	0.8
151.00389	15.9
152.01195	3.7
153.01936	6.7
155.03532	0.9
155.05132	0.8
156.05818	0.9
157.06587	0.9
158.03738	2.6
159.03265	0.6
159.04483	3.2
161.02409	0.8
161.04623	2.6
161.63828	0.5
163.03940	0.5
165.01964	2.4
165.04300	0.5
166.02707	0.5
167.03487	2.2
169.01442	1.2
172.05325	5.2
173.04536	2.3
173.06070	10.6
175.00385	2.1
175.04010	2.6
175.07634	0.7
176.01125	0.5
177.01993	1.0
177.05528	2.7
178.98280	0.9
178.99878	16.3
179.03389	0.6
179.05614	1.7
181.01437	2.6
187.03952	0.7
187.07680	5.6
191.05557	2.5
193.01427	0.7
195.02916	0.7
197.06094	0.9
199.03946	0.9
199.07599	1.4
200.04860	1.7
201.05582	3.2
202.06358	1.5
203.10727	1.0
213.09076	0.5
215.07126	13.5
216.07521	0.7
231.10262	2.3
241.05011	2.0
243.06656	5.3
255.06662	0.9
259.06116	100.0
260.06448	7.6
265.04935	0.6
269.04645	1.7
271.06232	1.1
273.07684	1.8
275.09280	15.6
276.09717	1.0
283.06134	20.6
284.06351	1.3
287.05624	48.9
287.18509	1.2
288.05914	3.6
299.05331	0.6
301.07169	9.2
303.05093	0.7
311.05600	2.4
313.07260	2.8
317.16141	1.1
329.06601	2.6
337.37997	0.5
343.06674	1.0
359.07846	0.8
361.09415	1.0
389.21851	4.4
390.22360	0.6
406.21573	0.6
411.18945	0.8
421.11450	15.5
422.11591	1.1
449.10562	4.3
449.24689	3.6
450.09854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
55.54689	1.1
57.03436	5.0
58.00581	3.9
59.01384	100.0
60.01725	1.4
65.00328	1.2
67.01900	1.5
70.33234	1.1
70.82003	1.3
70.82315	1.9
71.01390	44.1
72.99300	3.3
73.02950	8.5
78.91885	1.7
81.03463	8.8
83.01389	6.9
85.02954	15.5
87.00896	5.5
87.04516	2.4
89.02457	43.4
93.03480	7.3
94.98055	1.4
95.01381	4.7
95.05055	5.8
96.96008	6.4
97.02953	7.4
97.06601	1.5
99.00890	2.7
99.04510	4.5
101.02451	27.1
105.03456	1.7
107.01411	2.0
107.05006	1.6
109.02953	4.6
111.00893	1.7
111.04529	2.2
113.02451	20.3
119.03512	18.8
120.99622	1.4
121.02953	3.6
123.00912	1.7
123.04524	10.5
124.01627	1.1
125.01528	2.3
125.02452	36.5
125.04335	2.5
131.03500	1.9
133.02951	6.3
134.03711	1.6
135.04524	3.5
137.02483	8.5
138.03181	1.2
139.04022	2.9
143.03497	3.6
149.02444	5.0
149.04485	1.6
151.00380	4.1
151.03957	2.3
152.01123	2.7
153.01970	2.6
157.06616	1.2
159.03049	2.3
159.04529	3.7
161.04575	14.2
161.05968	2.0
163.00371	2.0
163.11340	1.6
165.01962	9.8
166.02692	9.4
167.03514	41.3
168.03833	1.6
171.04483	1.8
172.05319	1.7
173.04564	3.1
173.06065	5.6
175.03983	3.1
175.07629	2.0
176.00978	1.3
176.04788	1.1
177.01944	5.4
177.05603	4.6
178.99829	2.8
179.03603	2.1
179.05606	9.9
187.04008	2.5
187.07681	6.0
189.05571	1.4
190.02730	1.5
191.05655	10.1
193.01390	3.1
194.02173	5.9
197.04491	5.6
199.04308	3.2
200.04684	3.2
201.05586	9.0
202.06306	2.0
203.03534	3.3
204.07915	2.3
213.09222	2.5
215.07117	8.5
216.07874	3.3
217.08719	2.3
221.00815	2.1
224.03424	1.7
227.03424	1.4
227.07083	1.6
229.08633	5.5
231.10217	3.4
243.06703	6.2
245.08057	1.3
251.16534	3.1
255.06448	1.2
257.08145	3.0
259.06097	18.3
267.06610	1.2
269.04520	4.4
269.14072	1.4
269.17459	3.0
271.06076	2.5
275.09137	1.6
283.06186	2.5
285.07654	4.4
287.05664	7.3
287.18573	9.5
299.05627	2.4
301.07202	29.2
302.07474	3.7
311.05554	3.9
313.07172	2.1
329.06674	78.5
330.07227	6.5
331.08185	9.8
343.15576	1.5
344.15128	1.5
359.07742	29.5
360.07990	2.5
371.07898	1.7
405.15732	2.3
421.11023	1.4
431.09683	3.6
449.09763	22.2
449.15161	7.7
449.24353	28.9
450.10550	2.4
450.24341	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	13.5
59.01094	1.5
59.01384	26.9
61.98838	17.9
63.02425	1.8
64.91619	1.1
65.00304	4.8
69.08934	8.2
69.09338	2.2
71.01368	3.5
81.03462	3.4
83.01406	9.4
85.02972	1.5
88.28478	0.9
89.02445	4.0
93.03450	2.3
97.02938	2.2
101.02437	2.4
107.01405	5.9
109.02966	1.8
111.00831	1.6
113.02447	1.6
117.03397	2.0
119.03478	1.4
121.02941	1.2
123.04558	1.5
124.01678	2.2
125.02462	100.0
126.02795	3.7
133.02974	1.9
135.04552	1.3
137.02417	1.1
139.04019	2.4
149.02438	9.9
150.03018	1.1
151.00378	25.4
152.01170	4.6
153.01950	7.2
158.03819	2.6
159.04561	4.7
165.01950	2.0
167.03557	1.0
169.06633	1.5
172.05293	2.9
173.04515	2.3
173.06087	7.5
174.06880	1.3
176.01118	1.7
177.05533	3.1
178.99910	13.4
179.03532	5.0
181.06512	1.4
187.04076	1.3
187.07635	8.3
191.05626	4.4
197.06039	2.6
201.05562	5.2
203.10745	2.6
213.09128	0.9
215.07172	5.8
225.05615	3.3
231.10223	3.5
241.05130	3.1
243.06592	3.8
244.21483	1.2
259.06113	74.0
260.06467	5.4
269.04568	71.9
270.04886	5.3
275.09280	19.6
276.09653	1.8
287.05649	53.0
288.06042	3.1
311.05600	1.7
421.11511	1.4
431.09946	1.4
446.57834	1.0
449.10901	65.0
449.23813	2.7
450.11221	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32529	0.5
56.65098	0.5
57.03437	1.1
59.01382	29.8
61.98835	7.3
65.00316	2.2
69.00442	1.4
69.00848	3.7
69.03472	0.5
71.01388	8.7
73.02956	2.3
83.01395	2.1
85.02950	4.0
87.00854	0.7
89.02456	3.2
93.03440	1.4
95.01405	1.0
97.02967	2.7
98.22568	0.8
99.00874	1.1
99.04544	0.9
101.02438	4.9
105.03453	1.0
106.15888	0.5
107.01410	3.8
107.05046	0.8
109.02962	1.7
113.02453	2.2
117.03477	3.1
119.03516	1.0
123.04543	1.8
124.01632	0.8
125.02461	9.2
132.02214	1.6
133.02965	38.5
134.03693	2.7
135.04535	47.2
136.04849	1.5
137.02477	1.3
143.03558	0.7
147.04541	0.6
148.05263	0.6
149.02504	0.9
149.06100	1.6
150.03271	3.3
151.00377	16.3
151.01582	0.9
151.04008	3.2
152.01164	1.8
159.04538	0.8
161.02458	100.0
162.02769	4.7
169.76926	0.5
171.04620	0.7
175.04015	1.7
175.85138	0.6
177.01942	2.0
177.05545	3.5
178.02782	0.6
178.99895	2.4
179.03517	31.5
180.03838	1.6
187.07675	1.1
189.05647	0.6
191.05620	12.8
203.03590	1.6
207.13820	0.9
209.11826	2.8
220.03763	0.6
221.04559	5.7
225.14880	0.7
251.05685	0.7
257.08084	0.9
263.05652	1.9
269.13956	10.3
280.05948	1.1
285.04086	6.6
290.13965	0.6
300.02893	0.7
303.05136	2.2
304.05798	0.5
323.07736	41.5
324.08127	3.5
362.94788	0.6
389.21725	2.1
419.17090	0.7
449.10910	45.3
449.19189	2.8
449.24536	1.8
450.11267	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52039	0.3
55.01554	0.3
57.03448	2.1
58.00604	0.4
59.01383	100.0
60.01729	1.1
65.00330	0.5
65.86205	0.3
66.27199	0.3
69.09299	3.1
71.01385	9.1
71.05025	0.9
73.02945	2.2
76.98894	0.4
79.88649	0.3
81.03481	0.6
83.01395	2.4
85.02959	3.2
89.02457	2.9
93.03481	0.6
95.01412	0.6
97.02976	0.6
98.22506	0.8
99.00904	0.9
101.02454	6.2
107.01440	1.0
107.53837	0.3
109.02970	0.6
111.04496	0.4
113.02473	3.5
119.03537	0.9
121.02973	0.5
125.02453	14.0
126.02823	0.4
133.02957	0.4
135.04570	0.6
137.02438	0.5
139.07713	0.5
143.03520	0.4
149.02425	1.6
150.03206	0.4
151.00366	3.5
152.01126	0.4
153.01994	1.3
153.09302	0.4
155.03584	0.4
155.10811	3.5
155.53252	0.3
158.03604	0.5
159.03044	0.9
159.04573	0.9
161.04561	8.2
165.02043	0.5
172.05322	0.4
173.04651	1.2
173.06136	1.6
174.06911	0.3
177.05638	0.4
178.99895	1.9
179.03447	0.7
179.05615	0.7
187.07660	3.3
191.05583	1.7
193.01517	0.5
201.05612	0.9
203.10843	0.7
215.07268	0.7
225.05548	0.4
227.16550	7.0
227.18639	0.5
231.10297	1.3
241.05070	0.4
243.06676	0.5
249.36414	0.4
259.06116	10.4
260.06583	0.6
269.04568	9.9
270.04913	0.7
275.09277	9.2
276.09738	0.8
287.05615	7.2
287.15179	0.4
287.18256	0.3
288.05930	0.5
288.94348	0.4
322.06287	0.4
329.06888	0.6
342.05844	0.4
389.21866	7.7
389.26984	0.4
390.22379	0.6
449.10806	8.6
449.16379	0.5
449.24155	1.1
450.11502	1.0
451.08881	0.3
451.59882	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.2
59.01380	24.8
60.24382	0.7
61.98837	13.1
63.02394	10.6
65.00037	0.9
65.00330	12.3
69.37548	4.1
71.01382	8.5
73.02929	1.5
80.36938	0.7
83.01393	10.7
85.02945	2.7
89.02441	7.3
92.89136	0.7
93.03452	1.0
95.01371	1.9
101.02450	5.4
106.90183	0.8
107.01398	17.8
111.00867	3.3
113.02455	4.0
117.03476	8.0
119.03491	2.6
119.05006	3.4
121.02956	0.8
123.00900	2.1
123.04523	1.8
124.01674	7.7
125.02468	11.0
133.02962	1.3
134.03722	2.5
135.04512	4.6
137.02467	1.3
139.00389	1.9
141.01941	2.3
145.02980	9.8
149.02408	1.7
151.00378	62.4
151.03996	3.0
152.01164	39.5
152.02202	0.8
153.01846	0.8
159.04543	1.5
161.04585	2.2
163.04015	3.2
165.01971	1.0
167.18468	0.7
167.62250	0.7
169.01418	5.0
169.06569	1.0
177.05540	1.7
178.99870	33.0
179.05724	1.0
180.00421	2.3
181.06580	1.2
193.01460	2.4
197.06061	1.9
199.04008	0.8
201.00206	0.8
201.05537	2.0
213.05597	0.8
225.05583	3.5
225.07626	0.8
241.05070	1.4
242.02206	0.8
243.06627	1.5
259.06122	5.2
265.07150	1.1
269.04556	100.0
270.04907	8.1
286.04831	3.1
287.05603	4.0
307.08273	5.1
342.20670	1.0
389.21765	3.3
449.10910	47.4
449.23972	2.9
450.11200	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32529	0.5
56.65098	0.5
57.03437	1.1
59.01382	29.8
61.98835	7.3
65.00316	2.2
69.00442	1.4
69.00848	3.7
69.03472	0.5
71.01388	8.7
73.02956	2.3
83.01395	2.1
85.02950	4.0
87.00854	0.7
89.02456	3.2
93.03440	1.4
95.01405	1.0
97.02967	2.7
98.22568	0.8
99.00874	1.1
99.04544	0.9
101.02438	4.9
105.03453	1.0
106.15888	0.5
107.01410	3.8
107.05046	0.8
109.02962	1.7
113.02453	2.2
117.03477	3.1
119.03516	1.0
123.04543	1.8
124.01632	0.8
125.02461	9.2
132.02214	1.6
133.02965	38.5
134.03693	2.7
135.04535	47.2
136.04849	1.5
137.02477	1.3
143.03558	0.7
147.04541	0.6
148.05263	0.6
149.02504	0.9
149.06100	1.6
150.03271	3.3
151.00377	16.3
151.01582	0.9
151.04008	3.2
152.01164	1.8
159.04538	0.8
161.02458	100.0
162.02769	4.7
169.76926	0.5
171.04620	0.7
175.04015	1.7
175.85138	0.6
177.01942	2.0
177.05545	3.5
178.02782	0.6
178.99895	2.4
179.03517	31.5
180.03838	1.6
187.07675	1.1
189.05647	0.6
191.05620	12.8
203.03590	1.6
207.13820	0.9
209.11826	2.8
220.03763	0.6
221.04559	5.7
225.14880	0.7
251.05685	0.7
257.08084	0.9
263.05652	1.9
269.13956	10.3
280.05948	1.1
285.04086	6.6
290.13965	0.6
300.02893	0.7
303.05136	2.2
304.05798	0.5
323.07736	41.5
324.08127	3.5
362.94788	0.6
389.21725	2.1
419.17090	0.7
449.10910	45.3
449.19189	2.8
449.24536	1.8
450.11267	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.1
59.01392	9.4
61.98832	10.0
65.22060	0.9
69.88927	0.9
71.01369	2.2
71.28613	0.9
76.48185	0.9
85.02973	1.5
89.02481	2.6
93.03465	45.4
100.89671	0.9
101.02486	2.8
104.88918	0.9
108.02185	16.2
108.02841	1.4
109.02981	1.6
111.04508	0.9
113.02466	1.5
116.40829	0.9
119.03563	1.3
121.02976	12.9
122.03716	1.6
123.04523	8.7
125.02438	4.2
134.03674	1.1
137.02455	100.0
138.02808	2.9
150.03239	1.1
151.00421	0.9
151.04039	1.1
152.01164	32.9
153.01605	1.9
161.02448	2.3
161.04553	0.9
167.03505	37.6
168.03833	1.3
169.01392	1.0
173.04630	2.9
191.05644	3.0
227.07124	2.4
228.07861	6.3
243.10262	11.3
245.11787	1.4
245.64612	0.9
251.16608	1.8
269.04376	0.9
275.09354	1.3
281.06696	5.3
287.05798	1.0
287.09293	3.5
413.21729	3.0
449.09747	1.9
449.14624	22.2
449.23386	1.7
450.14789	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27772	0.7
55.40890	0.7
56.41513	0.7
57.03438	2.5
59.01382	32.9
61.98837	14.3
63.02401	11.2
65.00321	11.3
65.24706	0.7
69.36143	4.1
71.01383	12.6
73.02946	1.3
73.44138	0.9
76.81332	0.8
83.01386	10.3
85.02945	3.6
89.02454	9.6
93.03481	1.8
95.01404	1.5
96.96024	0.7
98.21823	1.3
101.02447	8.1
106.19529	0.7
107.01404	18.7
109.02953	1.0
111.00889	3.2
113.02466	6.1
117.03489	7.8
119.03526	5.3
119.05021	4.7
121.02952	1.4
123.00880	1.8
123.04564	2.2
124.01688	6.9
125.02466	11.7
134.03729	2.4
135.04532	5.3
136.70444	0.8
137.02423	1.9
139.00391	1.8
141.01912	2.2
145.02962	15.6
149.02441	1.5
150.03244	1.4
151.00375	62.6
151.03999	5.0
152.01161	37.7
153.01541	1.2
159.04442	1.5
161.04590	4.5
161.05821	1.0
163.04007	3.2
165.01909	0.9
167.03604	1.0
169.01399	4.7
169.06580	1.1
177.05626	1.6
178.01248	0.7
178.99869	33.7
179.05637	1.2
180.00323	1.9
180.05901	0.9
181.06567	1.1
184.00041	0.8
191.05573	1.3
193.01456	1.0
201.05609	1.2
205.05058	1.1
213.05484	1.0
222.19571	0.8
225.05676	4.6
225.14874	0.9
227.03535	0.9
241.05051	1.5
242.02254	0.9
243.06656	1.9
259.06033	5.0
265.07205	1.2
269.04550	100.0
270.04910	9.2
286.04898	3.1
287.05603	6.9
307.08231	6.7
308.08585	1.0
354.51840	0.8
389.21805	6.2
411.16794	1.0
412.79282	0.9
449.10892	46.9
449.24460	3.9
450.11252	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62429	1.4
55.01877	3.7
57.03456	10.2
58.00600	3.4
59.01383	100.0
61.98833	4.9
67.01892	4.1
69.03466	4.1
69.29668	1.3
69.30024	12.7
71.01386	77.4
72.99305	5.1
73.02953	53.8
73.21196	1.5
78.58461	1.7
81.03471	3.0
82.40604	1.6
83.01398	15.3
83.05029	1.9
85.02955	25.9
87.00880	5.8
89.02450	67.0
93.03457	11.1
95.01396	16.4
96.96030	2.5
97.02955	4.1
98.21809	3.3
99.00902	5.1
99.04544	1.8
101.02450	43.5
107.01404	2.0
109.02969	25.5
110.03362	1.9
111.00901	3.6
111.04575	2.2
113.02457	47.1
115.92056	2.1
119.03516	29.9
121.02975	7.1
123.00900	27.3
123.04503	2.6
125.02456	19.0
127.03996	6.0
131.03505	3.2
135.04567	10.8
137.02412	1.9
141.01955	39.8
143.03513	6.3
145.05078	74.8
145.66856	1.4
149.02446	3.0
149.04524	3.7
151.00336	3.8
152.01140	2.0
158.88940	1.5
159.03053	2.5
159.04510	4.6
161.02374	2.2
161.04553	15.0
163.03964	4.9
163.70403	1.5
165.01974	4.1
167.10927	1.6
172.05313	2.5
173.04555	14.3
173.06079	4.2
175.04070	4.1
177.01953	10.0
177.05312	1.7
178.99869	3.9
179.05627	13.2
187.04036	8.1
187.07654	4.9
188.04831	6.1
191.05592	17.7
195.08072	1.6
199.05751	1.8
199.07593	2.0
201.05524	2.1
202.06450	2.8
203.07077	4.2
215.07126	4.2
216.04306	8.4
231.06625	34.5
231.10187	3.1
243.06573	4.1
259.06155	26.9
275.05637	33.2
275.09241	11.6
276.05981	2.4
283.06113	6.3
287.05658	18.4
287.08945	2.4
287.18567	5.0
288.06036	1.9
301.07217	4.2
305.94290	1.6
307.10397	39.0
308.10742	3.8
421.11185	3.7
449.10712	12.8
449.20163	11.2
449.24454	7.5
450.10992	1.9
450.20059	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	2.4
60.34447	1.2
61.54761	1.2
68.99711	8.1
69.00126	6.7
85.02946	8.9
87.00908	6.6
93.03470	4.4
98.21738	2.8
104.95441	1.3
111.04526	3.1
113.00220	1.2
127.04094	1.6
144.89766	1.3
145.80519	1.2
149.06032	2.4
155.03488	3.1
159.04495	5.1
161.25903	1.4
172.05310	5.7
173.04543	9.3
173.06046	5.9
182.03682	1.5
183.04524	2.3
187.04115	5.9
187.07655	51.3
188.08035	2.8
191.05618	100.0
192.05942	2.5
194.24748	1.2
200.04716	1.4
201.05547	7.2
202.06348	17.1
203.10768	2.6
211.07646	1.5
213.09229	14.7
214.09683	1.5
215.07146	15.7
216.07811	2.0
227.03563	1.8
229.08687	11.3
231.06749	8.2
231.10243	31.4
232.10704	1.6
235.16078	1.6
247.09923	1.9
257.08273	11.6
275.09262	58.2
276.09573	5.6
304.61026	1.4
379.48282	1.3
449.14560	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36728	1.1
57.03438	1.1
59.01379	7.3
69.27455	8.4
69.27848	1.5
71.01372	4.1
78.14339	1.0
78.30753	0.9
83.05041	2.2
85.02962	12.2
85.13241	0.8
87.00872	2.9
93.03477	7.9
99.00902	1.0
103.65831	1.1
105.03456	1.2
111.04523	2.9
125.02451	2.9
127.04025	1.8
132.02130	1.1
133.02966	22.5
134.03773	7.5
135.04533	24.9
137.02417	1.4
146.03751	2.1
148.05301	6.9
149.06000	1.1
150.03232	0.9
151.00305	2.0
155.03511	2.4
159.04451	1.2
161.02466	47.7
162.02982	3.1
162.92256	0.9
166.71216	1.0
172.05278	3.1
173.04539	10.3
173.05916	1.9
174.03188	3.0
174.06857	3.7
175.55904	1.1
177.01874	4.9
177.05563	1.6
178.02643	3.2
179.03513	15.0
180.04167	1.9
187.03973	1.0
187.07664	7.5
191.05635	100.0
192.04387	1.5
192.05963	4.0
200.04767	2.0
201.09196	1.7
202.06377	2.0
203.10802	21.0
204.11053	1.3
213.09241	9.5
215.07175	1.1
221.04602	3.3
225.07565	1.8
229.08722	4.5
231.06660	1.4
231.10283	24.1
232.10596	1.7
247.09694	1.7
257.08231	29.8
258.08554	1.8
259.06152	2.6
269.04553	11.0
275.09283	50.6
276.09586	4.4
287.05545	2.3
302.03247	1.1
323.07724	22.8
324.08008	1.8
431.09653	2.3
449.09998	26.6
449.15765	3.5
450.10739	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46536	0.8
53.12149	0.8
57.03454	1.1
59.01376	3.0
69.03446	2.6
69.15838	2.9
69.16252	4.7
71.01409	1.1
72.37625	0.9
83.05048	1.1
85.02959	12.1
87.00890	8.2
92.56673	0.8
93.03454	6.3
103.13007	0.8
109.02987	2.3
111.04523	4.3
114.46194	0.8
127.04037	2.4
129.01920	1.1
146.03694	1.9
151.00403	3.1
151.04051	1.1
155.03491	3.0
158.03751	1.6
159.04523	5.9
161.02475	1.0
172.05305	9.2
173.04550	10.6
173.06096	9.5
174.03163	1.0
174.06926	0.8
175.07707	1.6
178.99818	0.8
179.03555	0.9
183.04524	1.6
184.05266	1.0
187.04103	5.9
187.07658	61.0
188.08124	3.7
191.05630	100.0
192.05945	3.8
197.06104	1.5
198.06906	1.5
199.04071	1.2
200.04805	4.3
201.05588	11.4
202.06371	20.8
203.06993	0.8
203.10831	3.6
204.04338	1.8
210.83101	1.0
213.09209	16.5
215.07144	17.7
216.07768	2.6
227.03699	1.2
229.08725	8.3
231.06769	7.0
231.10260	36.5
232.03712	0.9
232.10637	1.5
257.08209	19.2
258.08633	1.5
275.09280	51.7
276.09628	5.2
285.04105	1.9
449.14752	4.8
449.23840	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	6.8
60.55268	0.7
69.03468	1.7
71.01376	3.5
75.82779	0.8
78.06766	0.7
78.53868	0.7
81.03432	1.0
83.05035	1.6
85.02962	11.5
87.00883	8.4
89.02428	1.9
93.03469	7.1
98.22628	1.7
101.02457	1.4
102.80501	0.8
109.02945	2.1
111.04514	3.8
113.02483	1.1
115.26846	0.7
117.03481	0.8
119.05032	1.6
127.04031	1.5
137.23370	0.8
145.02983	5.2
146.03786	1.1
149.06107	2.8
155.03520	2.9
158.03767	1.2
159.04547	5.9
161.02396	0.8
170.07779	0.8
172.05339	7.5
173.04543	8.1
173.06073	11.5
174.06819	1.7
175.07625	2.5
183.04523	1.5
185.09737	0.8
187.04126	5.3
187.07651	49.2
188.08025	3.3
191.05624	100.0
192.06004	3.6
197.06091	1.1
198.06740	0.9
199.04012	1.2
200.04758	3.9
201.05592	9.2
201.09171	1.1
202.06390	19.4
203.06682	1.6
203.10764	2.6
204.04225	1.6
213.09212	14.8
214.09416	0.9
215.07132	16.0
216.07709	2.6
220.69826	0.8
227.03467	1.0
228.04259	1.3
229.08730	11.0
231.06854	5.7
231.10275	37.1
232.10571	2.2
247.09691	1.6
255.40469	1.0
257.08197	11.4
258.08383	1.1
275.09280	60.9
276.09656	5.2
307.08246	3.4
449.14581	9.4
450.14917	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40449	0.5
57.03441	1.0
59.01384	7.2
60.99311	2.0
61.48427	0.5
66.71882	0.6
67.01897	4.2
69.03461	1.4
71.01389	7.7
73.02954	1.5
76.35627	0.6
81.03453	1.2
83.01399	1.5
85.02969	4.5
87.00890	6.6
89.02431	1.0
93.03467	26.2
94.03824	0.8
98.21787	1.2
98.22466	2.1
99.00887	1.5
99.04548	0.6
101.02444	5.8
101.87348	0.5
105.03481	0.8
107.05099	0.6
108.02193	3.0
109.02970	0.9
109.50417	0.7
111.00887	0.7
111.04559	3.5
113.02469	1.8
121.02959	2.5
122.03787	1.5
124.01655	6.6
125.02460	4.6
126.03219	2.7
127.04071	0.9
129.02063	0.8
131.03510	2.1
132.02165	2.0
133.02953	5.8
134.03752	12.0
134.66045	0.6
135.04538	100.0
135.27486	0.5
136.05078	3.1
137.02438	4.2
149.02477	0.8
150.03206	4.9
151.04021	15.1
152.04343	0.8
155.03638	0.7
160.01663	1.6
161.02423	2.1
161.04538	2.9
162.03217	0.9
163.04063	0.9
167.03535	0.8
173.04549	15.4
177.01965	0.7
178.02744	3.2
179.03511	22.4
180.04253	4.7
189.05580	0.9
191.05632	14.0
192.06096	0.9
222.86990	0.6
257.08298	2.4
275.09262	1.0
287.22437	0.7
290.07993	2.0
307.08365	5.7
308.09021	19.6
309.09375	1.7
317.19693	7.7
323.07690	0.6
329.27203	0.6
352.08060	13.9
353.08301	1.2
357.55847	0.6
404.22067	0.6
449.14624	17.8
449.27567	2.0
450.14902	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.7
62.96109	2.0
62.96413	33.2
69.08493	3.3
69.08913	6.9
72.99313	1.4
78.95909	76.5
80.97472	42.5
81.56708	1.5
82.58142	1.2
83.64127	1.4
92.37968	1.2
119.69305	1.4
149.00102	18.9
156.98189	1.5
179.01064	1.8
205.15930	10.9
242.98286	6.0
253.97310	1.4
355.16788	19.7
356.17126	3.1
385.17874	23.3
386.18115	4.2
449.15021	100.0
450.15500	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84098	22.9
59.01390	42.3
61.98797	33.7
71.31173	31.3
87.99287	22.0
145.35031	26.1
249.15054	59.0
251.16498	100.0
383.90167	23.1
443.80060	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	3.3
58.00561	1.6
59.01382	73.5
59.92529	1.0
61.98817	2.1
61.99833	1.2
65.00331	15.1
69.05126	9.4
71.01385	16.1
71.23885	1.1
72.99281	1.4
82.99542	1.1
83.01384	7.4
83.04956	1.3
85.02908	5.3
87.00850	2.2
89.02448	18.2
95.01351	1.6
98.22556	2.5
99.04523	7.6
101.02445	8.9
107.01397	17.3
109.02910	2.1
113.02372	5.5
119.03521	6.4
123.00819	1.4
123.04530	5.9
124.01609	2.1
125.02441	14.1
126.02764	1.4
133.02867	4.1
135.04533	5.7
139.56419	1.4
149.02339	3.7
150.03241	12.3
151.00381	83.0
151.04019	12.0
152.00998	8.7
161.02446	9.8
162.41344	1.2
165.12714	3.1
175.03931	3.8
177.01923	7.9
178.99875	10.5
179.03429	2.3
179.05371	1.3
179.06953	1.4
188.31157	1.3
191.05618	6.7
192.04274	1.1
199.03954	2.7
201.01833	1.9
207.13963	9.7
209.11848	23.4
215.03273	1.2
217.05048	1.3
225.07582	3.5
225.14969	8.4
241.04935	1.5
251.12730	5.0
257.04617	1.3
259.05780	1.9
269.13947	100.0
270.14014	5.0
285.04059	33.7
286.04211	3.5
287.14816	1.6
297.09506	4.3
302.04147	2.2
303.05176	7.7
323.07333	4.3
371.65015	1.3
449.11127	11.8
449.19797	42.0
450.20264	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2185
Annotation	Teucrolin F
Peak:m/z	Relative Intensity
55.01908	0.5
57.03189	0.4
57.03458	6.6
59.01144	0.5
59.01383	5.8
67.01874	0.7
69.03457	0.8
69.33649	0.3
71.01390	6.1
71.53828	0.4
72.99290	0.4
73.02928	1.1
74.17222	0.3
81.03477	0.6
83.05047	2.4
83.65134	0.4
85.02950	1.5
85.06565	0.4
87.00870	1.1
87.04518	0.4
93.03455	3.2
93.07101	2.9
95.05019	1.2
97.02910	0.6
97.06603	3.8
97.87442	0.4
98.22159	2.3
98.75288	0.4
99.04525	1.3
107.05038	2.0
108.02230	0.4
109.02979	0.9
109.06615	2.2
111.00932	0.4
111.04544	2.1
118.50256	0.3
119.05014	0.8
120.30640	0.4
121.06586	2.3
123.00929	0.7
123.04545	0.8
123.08182	2.5
124.01669	0.7
125.02422	0.8
125.06083	1.6
125.09761	0.6
133.02922	0.4
133.06587	1.0
134.03741	1.0
135.04530	3.0
135.08160	1.6
137.02464	1.1
137.06071	1.7
137.09738	0.5
139.07666	1.2
147.08170	1.4
149.06062	1.5
149.09760	1.1
151.04002	0.7
151.07735	1.8
153.09209	1.2
159.08171	0.4
161.06012	0.6
161.09682	0.7
163.07671	0.5
163.11217	0.4
165.09180	1.3
166.06479	0.5
167.10724	0.6
173.04553	1.8
175.07733	0.4
175.11310	0.5
177.01917	0.5
177.09274	1.8
178.02586	0.5
179.03424	0.5
185.09653	0.5
187.07524	0.6
187.11285	0.9
191.05597	2.7
195.10242	1.1
199.07613	0.4
199.11310	0.9
201.09195	0.7
207.13870	0.5
213.12965	0.6
223.13219	0.4
227.10707	0.4
227.14510	0.4
229.12334	0.4
229.15971	0.8
231.13931	0.5
240.75160	0.4
241.12294	0.7
247.17030	1.6
253.12399	1.0
257.08289	0.6
257.15472	1.0
269.15479	0.4
271.13437	2.0
275.09351	0.9
287.16324	0.3
294.15555	0.4
301.03070	0.5
302.03537	0.5
303.04132	0.7
308.09076	1.1
311.16525	1.6
315.12396	1.1
329.17654	2.6
330.17960	0.4
352.07901	0.8
369.20694	0.8
375.22107	0.5
387.21747	1.1
389.19778	0.5
405.23004	1.3
407.20828	1.6
413.95483	0.4
431.20734	1.2
449.21823	100.0
450.22159	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2186
Annotation	3beta-Acetoxyeriocasin D
Peak:m/z	Relative Intensity
57.03448	9.3
58.07674	1.9
59.01366	9.3
61.98865	2.3
67.49486	1.9
71.01387	15.3
71.28867	3.3
72.98927	3.2
72.99314	57.0
73.02910	2.8
75.00867	2.8
85.02967	2.4
93.07114	7.2
93.66756	1.9
95.05051	3.0
96.96021	13.8
97.06586	7.3
107.05006	3.7
109.06577	3.5
111.08160	2.9
119.05035	3.1
121.06600	10.1
123.08132	5.2
125.06023	2.2
137.06049	3.6
149.06067	8.7
156.74652	2.2
163.07613	2.8
165.09203	3.2
177.09204	4.4
205.12343	2.8
219.10229	2.3
251.12717	2.6
251.16603	2.6
252.63791	2.2
299.16599	5.1
311.16922	2.3
329.17499	2.7
343.19360	2.3
345.39276	2.2
357.20670	2.8
373.16422	4.0
375.21454	2.4
387.21954	2.6
413.07831	2.2
413.19678	18.1
414.20047	2.9
421.22351	13.2
431.20642	33.9
432.21146	4.4
449.21829	100.0
450.22214	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.3
58.67753	0.3
59.01344	0.9
62.96379	0.5
68.74850	0.2
69.03433	0.8
71.07046	0.2
74.28997	0.3
78.26572	0.2
78.95909	53.7
81.98598	0.2
83.05034	0.6
83.97257	0.3
85.02955	0.3
92.42500	0.3
93.03474	1.1
96.96974	6.1
99.04512	0.6
107.08753	0.3
109.24061	0.3
111.04524	0.4
116.92870	0.3
125.02498	0.3
134.03711	0.3
135.04617	0.4
135.08159	0.3
137.02455	0.4
137.06122	0.4
150.98024	2.0
152.99599	100.0
153.99892	1.3
161.09769	0.5
163.11427	1.0
170.23198	0.3
171.00645	4.6
173.04642	0.6
187.11346	0.5
191.05647	1.4
195.14018	0.3
275.09656	0.7
281.70700	0.3
293.16153	0.3
295.23215	0.5
303.04724	0.4
343.83487	0.3
369.26529	0.3
387.27802	0.8
405.28796	0.5
431.26694	0.4
438.71964	0.3
449.10510	0.4
449.15176	0.4
449.16382	0.3
449.23776	3.5
449.28442	9.5
450.23065	0.3
450.28156	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95910	52.8
96.96974	6.5
111.54440	0.4
150.98035	1.6
152.99599	100.0
153.99925	1.7
157.45740	0.4
171.00677	4.4
191.05638	1.1
228.94150	0.5
302.03354	0.4
449.22729	8.0
450.23062	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23343	0.6
58.35130	0.7
59.01384	100.0
61.98839	13.5
64.10015	0.8
65.00336	1.4
70.92621	0.7
70.92934	0.7
71.01392	9.6
73.02977	0.8
83.01420	2.2
85.02975	2.1
87.00885	1.1
89.02451	11.6
93.03478	1.7
99.00871	0.9
101.02461	4.9
107.01420	2.5
109.02996	1.9
111.04478	0.7
113.02458	4.3
117.03540	0.9
119.03499	4.6
121.02969	1.2
122.21362	0.9
123.04547	2.8
124.01694	0.9
125.02469	3.3
131.03513	0.8
135.04575	1.5
137.02536	0.9
139.04060	0.8
143.03499	1.0
144.57866	0.8
145.02872	0.6
149.02579	1.0
150.03264	1.9
151.00403	9.8
151.04021	1.9
152.01134	2.3
161.02531	1.1
161.04636	1.6
166.02802	1.1
167.03548	2.8
175.04065	1.0
177.02010	2.6
178.99928	1.4
179.05646	5.0
189.01927	0.7
191.05672	4.1
192.04356	1.1
207.06673	1.6
209.04601	1.2
227.03517	1.2
243.03084	2.1
255.03056	3.9
256.03644	1.9
257.04202	1.1
259.06210	2.2
269.04541	7.3
270.05014	1.6
285.04105	3.1
287.05734	2.8
287.18756	0.9
297.04178	1.5
339.05231	1.3
389.21918	1.2
407.07748	9.9
408.08319	2.0
426.46170	0.7
431.09610	1.1
449.08820	6.4
449.14792	2.0
449.23938	5.0
450.09222	1.3
450.24374	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25174	0.8
58.17679	0.8
59.01384	100.0
60.01725	1.2
61.98839	7.0
69.27509	4.8
69.27917	1.8
71.01397	8.4
73.02959	1.9
75.11193	0.9
80.95570	0.8
82.25126	0.8
85.02967	4.5
87.00892	1.0
89.02476	2.5
93.03497	1.1
97.02969	1.6
101.02460	5.0
107.01409	1.7
113.02486	2.4
117.03490	2.0
118.91178	0.9
119.03546	0.8
125.02454	5.2
132.02176	1.6
133.02971	25.3
134.03564	1.5
135.04541	32.3
136.04909	1.2
137.02458	2.0
139.00377	1.9
149.06107	1.2
151.00380	3.4
152.01122	1.0
161.02464	68.0
161.04604	2.5
162.02771	4.6
163.73386	0.8
175.03990	1.6
177.02005	1.3
177.05574	3.5
178.99922	0.9
179.03520	18.9
187.07709	1.5
191.05666	10.8
203.03537	1.4
206.44536	1.0
212.31540	1.0
221.04613	2.6
227.03453	1.1
229.03908	0.9
251.05672	0.9
255.03029	1.6
256.03360	1.6
257.03696	1.1
284.03232	1.2
285.04187	1.6
286.03964	1.5
323.07767	25.6
324.08102	2.6
389.21924	3.8
449.10889	35.4
449.24109	2.6
450.11124	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.2
59.01382	100.0
59.32411	0.5
60.01716	0.9
63.44536	0.5
63.95357	0.5
65.00330	0.7
66.09994	0.6
69.18286	0.4
69.50512	1.0
69.50914	2.7
71.01389	9.3
71.05021	0.9
73.02959	3.3
75.15457	0.5
81.03479	0.8
83.01408	1.9
85.02974	3.0
89.02441	2.7
93.03448	1.0
97.02993	0.5
99.00899	1.1
101.02454	5.8
107.01395	1.2
113.02460	3.9
119.03500	1.0
121.60927	0.5
125.02454	16.2
125.03324	0.9
126.02810	0.6
137.02480	0.6
139.07683	0.9
143.03506	0.9
149.02498	2.1
151.00381	3.3
152.01219	0.7
153.01970	1.5
154.02371	0.6
155.10770	3.6
158.03705	0.8
159.03064	0.8
159.04533	1.1
161.04576	9.9
162.05014	0.6
165.01929	0.6
173.04633	1.3
173.06100	1.5
178.99904	2.3
179.03691	0.7
187.07587	2.9
191.05684	1.1
201.05731	0.9
202.06450	1.1
203.10773	0.9
215.07199	1.2
226.42731	0.6
227.16545	7.6
231.10217	1.1
253.33667	0.6
258.48407	0.7
259.06113	12.3
259.08655	0.8
260.06619	0.8
260.77255	0.5
269.04562	11.3
270.05051	1.1
275.09283	8.6
287.05652	8.5
287.08731	0.4
373.39651	0.6
389.21753	6.1
427.78989	0.6
449.10803	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
56.70752	0.8
57.03453	9.2
59.01382	100.0
60.01703	1.3
61.98834	41.4
63.02390	0.8
65.00306	2.7
66.91855	0.9
67.01879	1.0
69.24217	2.9
69.24645	4.2
70.21751	0.9
71.01042	1.2
71.01384	15.7
73.02940	2.3
75.11465	0.8
81.03446	2.5
83.01392	6.7
83.05006	1.7
85.02969	6.5
87.00866	1.3
87.55308	0.8
88.75318	0.7
89.02451	18.5
93.03485	7.0
95.01370	1.3
96.33231	0.9
97.02970	0.9
101.02461	7.7
107.01380	2.8
107.05042	2.4
108.27708	1.0
108.56522	0.9
109.02940	3.1
111.04542	4.1
113.02467	5.6
117.03446	2.0
119.03503	7.8
121.02927	1.6
125.02456	63.6
126.02753	1.9
127.04015	1.6
129.01903	0.9
131.03543	1.2
135.04474	1.6
137.02422	2.2
139.04010	1.7
143.03476	1.0
145.02974	0.9
145.06593	1.1
146.03625	1.4
147.66614	1.1
149.02426	5.8
149.04320	0.9
150.03151	1.1
151.00388	17.6
152.01082	2.7
153.01976	4.4
155.03482	3.2
155.04953	1.1
158.03755	6.3
159.04509	8.6
161.02405	0.9
161.04526	3.6
163.00281	0.8
165.01872	0.9
165.05580	0.9
167.03503	1.2
169.06534	1.2
172.05241	2.6
173.03140	1.9
173.04507	24.8
173.06042	8.2
174.04817	1.6
174.06798	1.7
175.07597	1.5
177.05563	2.4
178.98505	0.9
178.99866	6.9
179.03468	2.8
179.05602	3.5
180.00203	1.1
187.03976	2.6
187.07646	23.4
188.08205	1.2
191.05641	16.2
197.06039	2.1
199.03896	1.4
201.05646	4.0
202.06430	6.1
203.10858	5.3
213.05644	0.9
213.09137	2.8
215.07074	3.9
225.05438	2.3
229.08617	0.9
231.06575	3.0
231.10284	14.8
241.05124	1.9
243.06505	3.1
257.08130	1.6
259.03339	2.0
259.06113	47.3
260.06326	3.9
269.04553	39.5
270.04773	2.8
275.09271	53.3
276.09473	3.5
287.05630	36.2
287.18457	1.2
288.05759	3.6
311.05508	1.5
321.15414	1.6
389.21283	2.8
449.10699	40.6
449.24243	4.9
450.11121	4.0
450.24246	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.6
59.01383	100.0
60.01701	0.9
61.98816	1.5
69.59882	1.4
69.60290	0.9
71.01389	9.5
73.02949	2.9
77.40730	0.4
77.97830	0.4
81.03463	0.5
83.01389	0.9
85.02953	5.0
87.00877	0.7
89.02455	6.4
93.03455	1.4
95.01379	0.7
99.00885	0.9
101.02453	7.3
111.04521	0.5
113.02471	4.7
119.03507	3.5
125.02454	0.6
129.42390	0.5
143.03548	0.7
146.06148	0.4
155.10820	0.9
157.15593	0.5
158.03746	1.1
159.03091	0.8
159.04517	1.4
161.04567	8.6
172.05299	0.5
173.04547	2.1
173.05946	0.8
179.05621	1.8
187.04097	0.5
187.07660	4.4
191.05634	5.7
202.06360	1.3
203.10776	0.8
213.09167	0.6
227.16533	2.4
231.10269	3.9
267.12534	0.5
275.09256	13.2
276.09564	1.7
320.83060	0.5
389.21890	12.8
390.22098	1.3
392.58704	0.6
449.14597	1.3
449.24173	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2699
Annotation	Usambarine
Peak:m/z	Relative Intensity
59.01378	8.9
59.98524	15.0
61.98841	3.0
69.00018	23.5
78.95905	7.3
80.53509	2.5
83.05048	5.0
83.25922	2.5
86.77061	2.8
98.21790	5.2
99.04533	17.6
111.04543	6.2
138.06877	34.5
139.07652	12.3
141.05614	3.0
152.99622	6.2
153.05481	3.9
160.92188	2.7
268.95877	3.0
293.18906	3.4
299.36252	3.1
326.46985	3.4
369.38443	3.0
387.27069	11.2
405.27829	3.8
431.25858	5.5
449.27063	100.0
450.27090	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.4
59.01385	7.2
60.01687	0.6
61.98840	1.2
67.01891	1.0
69.19814	3.3
71.01372	1.8
73.02934	0.9
81.46628	0.4
85.02953	12.0
86.03300	2.2
87.00873	3.7
88.01192	0.7
89.02438	0.6
90.93082	0.4
93.03459	6.3
94.03778	2.0
99.04492	0.6
101.02459	0.5
102.30380	0.4
104.41126	0.4
105.64559	0.4
109.02951	2.8
110.03301	0.9
111.04511	1.9
111.52235	0.4
125.02499	0.7
127.04025	2.9
128.04372	1.0
133.02945	1.2
134.03690	1.6
135.04433	1.3
136.04831	0.6
136.54568	0.5
137.02464	0.6
151.00383	0.6
152.00735	0.9
155.03516	0.5
159.04510	0.5
162.97751	0.4
171.02956	0.9
172.05307	1.6
173.04552	3.0
173.05759	0.7
174.04906	1.6
177.01965	1.8
178.02576	0.8
183.04605	0.5
184.04863	0.7
187.07634	7.7
188.08012	8.9
189.01851	1.2
191.05620	100.0
192.05965	47.2
193.06081	4.1
199.03920	0.8
200.04495	1.5
201.05208	0.8
201.09785	0.4
213.09203	0.9
214.09599	1.6
215.07166	1.6
216.07457	1.8
217.01521	0.8
227.03488	1.7
228.03928	2.2
229.04689	1.2
231.10309	1.6
232.10561	2.4
257.08240	6.4
258.08505	12.6
259.08734	0.7
269.04514	0.7
270.04669	1.0
275.09290	2.1
276.09607	5.7
288.05981	0.8
301.02994	0.7
302.03506	0.7
303.03738	1.5
304.04388	0.8
341.06677	3.9
391.23303	0.9
450.09964	1.1
450.15140	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.4
59.01385	7.2
60.01687	0.6
61.98840	1.2
67.01891	1.0
69.19814	3.3
71.01372	1.8
73.02934	0.9
81.46628	0.4
85.02953	12.0
86.03300	2.2
87.00873	3.7
88.01192	0.7
89.02438	0.6
90.93082	0.4
93.03459	6.3
94.03778	2.0
99.04492	0.6
101.02459	0.5
102.30380	0.4
104.41126	0.4
105.64559	0.4
109.02951	2.8
110.03301	0.9
111.04511	1.9
111.52235	0.4
125.02499	0.7
127.04025	2.9
128.04372	1.0
133.02945	1.2
134.03690	1.6
135.04433	1.3
136.04831	0.6
136.54568	0.5
137.02464	0.6
151.00383	0.6
152.00735	0.9
155.03516	0.5
159.04510	0.5
162.97751	0.4
171.02956	0.9
172.05307	1.6
173.04552	3.0
173.05759	0.7
174.04906	1.6
177.01965	1.8
178.02576	0.8
183.04605	0.5
184.04863	0.7
187.07634	7.7
188.08012	8.9
189.01851	1.2
191.05620	100.0
192.05965	47.2
193.06081	4.1
199.03920	0.8
200.04495	1.5
201.05208	0.8
201.09785	0.4
213.09203	0.9
214.09599	1.6
215.07166	1.6
216.07457	1.8
217.01521	0.8
227.03488	1.7
228.03928	2.2
229.04689	1.2
231.10309	1.6
232.10561	2.4
257.08240	6.4
258.08505	12.6
259.08734	0.7
269.04514	0.7
270.04669	1.0
275.09290	2.1
276.09607	5.7
288.05981	0.8
301.02994	0.7
302.03506	0.7
303.03738	1.5
304.04388	0.8
341.06677	3.9
391.23303	0.9
450.09964	1.1
450.15140	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
59.01375	1.8
61.98834	34.7
66.91174	0.6
71.01363	1.0
71.28469	0.6
89.04012	0.5
93.03476	1.4
95.05035	1.3
96.95999	1.0
101.02460	0.8
108.02166	1.3
109.02962	25.1
110.42251	0.5
117.03499	0.6
119.05003	0.8
121.02957	1.0
123.04537	15.4
125.02432	1.7
133.03011	4.5
135.04532	1.0
137.02481	1.3
140.57695	0.5
145.02962	1.2
147.04573	3.4
149.02386	1.2
150.03204	1.3
151.04016	7.0
155.28581	0.6
159.04507	1.8
161.02469	6.1
162.03194	0.8
163.04115	0.6
163.11308	0.9
165.01982	0.6
175.04008	0.8
176.01166	1.1
177.01942	23.3
181.12401	2.6
187.03949	1.3
189.01941	55.4
190.02739	11.9
191.03514	11.5
203.03534	6.1
205.27733	0.5
216.00620	7.8
217.01424	35.4
218.02202	1.8
219.02998	11.1
225.11330	7.7
231.02988	10.2
232.03738	1.1
233.04507	1.3
245.08200	0.8
256.03418	1.2
261.46259	0.7
270.05017	0.6
281.04395	0.7
285.03995	0.7
286.04303	1.0
289.07214	3.6
297.07727	0.6
299.05795	0.6
323.05698	1.8
327.05136	0.6
329.06866	1.0
341.06671	100.0
387.16547	0.8
406.22986	0.6
408.08072	3.7
450.09207	0.8
451.04398	1.1
451.10358	17.5
451.20010	0.7
451.23410	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82878	2.4
57.03453	2.8
59.00077	2.5
59.01382	8.3
61.98831	24.1
62.24445	2.4
69.06384	17.8
69.06790	3.5
71.01369	2.5
73.02982	3.7
83.01396	5.8
84.00911	4.3
85.02975	3.1
87.78345	2.4
89.02436	3.3
93.03463	14.7
93.03988	2.5
95.05027	4.6
96.17008	2.4
97.02967	7.1
98.21352	2.5
101.02488	5.5
103.90673	2.8
108.02203	7.2
109.02972	18.2
121.02966	7.3
123.04515	13.7
124.01688	3.0
125.02509	13.3
137.02458	26.8
138.02768	4.6
138.48175	2.6
143.10760	5.7
149.02477	3.7
151.04024	6.4
159.04547	3.9
161.02435	3.1
161.06004	4.1
162.03156	3.0
165.01953	10.3
165.05415	3.4
168.00627	8.7
175.03996	3.2
177.01971	3.7
177.09148	2.8
179.03564	2.9
185.06032	3.1
188.04863	4.4
189.02029	3.1
201.12839	44.5
202.13222	2.5
203.07201	6.7
205.05099	7.9
227.07259	4.0
231.02870	3.4
245.08080	5.8
245.11853	100.0
246.12157	6.8
289.07181	40.6
327.08725	5.7
331.07037	3.2
341.06561	8.5
367.64771	2.7
407.15283	3.8
450.15097	3.3
451.08630	8.7
451.14136	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	11.0
60.20174	0.5
61.98831	6.8
71.01392	3.9
71.05356	0.8
73.02941	2.2
74.25967	0.5
77.49458	0.5
77.52053	0.4
81.03468	7.7
83.01379	1.1
83.05034	22.2
84.10670	0.4
85.02946	1.9
89.02436	2.2
101.02448	5.3
101.80267	0.5
103.03992	1.2
107.06128	0.7
108.04596	1.2
109.02961	2.3
113.02454	1.0
119.03529	1.2
123.00824	0.7
123.04552	0.6
124.01717	0.8
124.81116	0.5
124.91677	0.5
125.02444	2.6
125.07191	3.1
126.05668	0.6
137.02464	1.2
143.03514	1.1
143.08179	0.9
149.99579	1.9
151.00374	1.0
161.02400	0.6
161.04539	2.0
163.06142	3.8
168.00642	2.3
172.30595	0.5
176.48837	0.5
177.01924	1.2
187.38655	0.5
189.01958	2.3
205.07182	1.6
207.15092	2.7
217.01465	1.5
219.03001	0.6
224.17648	3.8
225.16098	10.7
239.65701	0.6
242.18810	1.9
270.14230	0.9
324.26401	1.3
331.06815	0.8
333.22903	3.8
341.06662	5.5
351.24237	0.9
366.33459	0.5
367.27209	1.4
391.23535	2.7
407.19321	1.6
433.31879	6.0
451.09091	4.9
451.32919	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
57.03449	1.0
58.00599	0.7
59.01385	36.4
60.01727	1.0
61.98837	100.0
63.02433	0.8
65.00323	0.9
69.15278	6.1
71.01389	15.6
72.01705	0.8
73.02955	3.8
83.01399	2.3
85.02957	7.0
87.00926	1.9
87.04549	1.0
89.02458	15.0
93.03461	5.3
94.03828	1.5
95.01417	2.0
99.00916	1.5
101.02457	10.4
101.62348	0.7
107.01408	1.0
111.04557	1.0
113.02478	5.6
119.03516	5.3
124.33663	0.7
125.02477	0.8
143.03539	1.2
147.17056	0.7
151.00386	4.8
152.01010	3.7
153.01559	1.1
161.04594	4.4
173.04579	2.1
174.04927	1.3
178.99953	2.3
179.05698	3.4
180.00250	1.3
187.07753	1.5
188.08049	1.4
191.05640	20.8
192.05972	10.3
193.06146	0.8
202.06438	0.8
203.06685	0.7
214.09637	0.9
221.08493	0.8
232.10730	2.3
257.08350	0.9
258.08670	1.2
269.04767	3.3
270.04913	9.6
271.05313	0.9
275.09497	1.3
276.09695	2.9
289.20197	4.8
307.68420	0.8
390.22351	2.2
391.23654	3.0
450.10550	3.8
450.24277	2.4
451.25922	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58236	0.5
55.01885	1.3
57.03442	1.5
58.00606	1.2
59.01385	48.0
60.01720	1.5
61.98835	100.0
71.01388	26.3
71.30963	0.8
72.01728	1.2
72.99330	1.5
73.02948	8.4
83.01396	2.7
83.05072	0.5
85.02953	11.0
87.00897	1.7
89.01902	1.1
89.02451	21.6
93.03504	1.1
95.01427	1.9
97.03018	0.8
99.00912	2.8
101.02448	18.2
102.02805	1.1
103.04034	0.9
109.02946	0.6
113.02460	11.4
113.03147	0.5
119.03513	8.2
119.04241	0.7
125.02480	1.7
131.03543	0.6
143.03574	2.3
147.03986	0.6
147.11874	0.7
149.04538	1.2
159.03014	1.9
159.04428	1.1
160.04921	1.5
161.04546	9.9
162.04944	0.7
173.04617	2.3
173.06009	0.9
174.04930	1.3
174.06561	0.8
176.07982	0.9
179.05606	5.1
187.07611	2.9
188.07999	3.2
191.05605	5.4
192.05896	3.1
202.06334	1.1
203.06839	1.0
203.10887	1.0
204.11223	0.8
216.07602	1.3
225.15036	0.7
226.15285	0.6
227.15746	0.6
231.10365	2.2
232.10562	5.0
233.10895	0.6
260.06625	0.7
275.09232	5.6
276.09586	9.0
277.09860	0.6
280.78333	0.5
288.06161	1.1
289.20215	9.4
289.23163	0.6
390.22003	3.2
391.23376	16.9
450.10815	1.2
450.15829	1.0
450.24490	0.9
451.14346	2.2
451.25510	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	29.7
60.01714	3.1
61.01807	0.6
61.98835	100.0
66.12675	0.4
70.62472	0.4
71.01385	4.8
71.29559	0.6
73.02951	0.9
82.25914	0.4
82.64973	0.4
83.05028	0.7
85.02983	1.9
87.00872	0.7
89.02440	3.7
93.03477	1.0
96.47847	0.4
99.81854	0.4
101.02453	2.6
102.02824	0.6
111.04530	0.5
113.02472	1.3
114.02785	0.7
119.03542	1.7
121.02955	2.6
125.02462	0.5
127.04028	0.5
135.04536	0.5
145.02977	1.1
146.30737	0.4
155.03625	0.5
158.03772	1.0
159.04427	1.0
160.04900	0.6
161.02466	0.6
161.04602	1.7
162.04982	0.9
173.04616	2.0
173.05959	0.6
174.04912	0.7
174.06627	0.8
175.07368	0.7
179.05719	0.5
187.04073	0.5
187.07661	3.3
188.07982	3.9
191.05630	3.7
192.05983	1.4
202.06421	0.7
203.06958	1.0
204.11176	0.9
214.09666	0.7
214.30539	0.5
215.64450	0.4
228.16930	1.6
231.10355	2.0
232.10658	3.4
275.09256	4.8
275.11880	0.5
276.09598	11.0
277.09903	0.5
289.07199	1.0
390.22437	1.8
434.21390	0.5
450.15137	1.2
450.24451	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.7
59.01384	19.1
60.01712	2.1
61.98834	100.0
69.26732	0.9
69.27135	3.8
70.34038	0.5
71.01382	5.5
73.02946	0.9
83.01395	0.7
83.05045	1.1
85.02979	2.4
86.03299	0.7
87.00909	0.8
89.02444	3.8
93.03474	1.8
95.01434	0.6
96.36009	0.5
97.02962	0.7
98.37767	0.5
99.04585	0.5
101.02460	2.7
109.02998	2.4
111.04552	1.8
113.02507	1.4
117.03468	0.9
119.03542	1.9
119.05070	1.5
121.02966	12.6
123.04556	1.1
125.02489	3.2
127.04083	0.7
133.03014	1.1
135.04567	0.7
137.02512	2.4
145.02946	3.8
146.03787	0.8
149.02406	1.0
149.06004	0.6
151.04057	1.1
155.03549	1.2
156.03876	0.8
158.03812	1.3
159.04483	3.3
159.69365	0.5
160.04932	2.5
161.01260	0.5
161.02428	2.7
161.04578	1.5
161.05937	0.5
163.03957	0.7
172.05479	0.8
173.04590	2.8
173.06050	2.3
174.05005	0.8
174.06517	1.3
175.07651	0.9
176.08044	0.9
179.03619	0.6
179.05722	0.7
187.04015	1.2
187.07640	7.3
188.04442	0.9
188.08003	7.6
191.05600	8.0
192.05962	3.8
202.06357	2.3
203.06938	2.1
203.10817	1.8
204.11237	1.9
205.05237	0.9
213.09317	1.0
214.09511	1.2
215.07182	0.7
216.07663	1.2
228.17065	0.6
230.09071	0.6
231.10284	5.6
232.10590	8.6
245.08188	1.3
275.09290	10.5
276.09592	23.0
277.09875	1.3
289.07181	7.3
307.08432	1.8
390.22467	1.2
409.95087	0.6
433.11884	0.7
450.14929	2.7
450.24344	1.6
451.10699	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.7
68.63647	0.4
79.95734	2.9
81.72601	0.5
85.02930	0.8
86.38818	0.5
93.03496	0.6
96.96017	100.0
98.95619	0.6
117.84827	0.4
128.61842	0.4
135.04567	2.3
142.96622	0.8
169.22313	0.5
179.03529	1.9
184.97682	1.8
191.00290	0.6
191.05611	4.6
202.98711	1.7
216.98192	2.4
234.99268	4.2
248.97205	4.0
258.99356	0.6
275.02243	2.7
277.00333	1.4
289.02469	1.9
289.07187	2.0
294.32959	0.5
303.01920	0.6
304.99957	0.5
317.57895	0.5
347.00864	1.2
353.08789	2.2
389.86307	0.5
391.03601	1.9
409.04559	1.8
450.99823	0.4
451.05640	9.2
456.21960	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21712	0.9
69.03439	2.2
86.45106	0.9
93.03467	45.4
94.03780	1.3
95.01402	2.7
97.02931	2.5
107.01421	1.2
107.34610	0.9
108.02208	1.0
109.02975	2.2
119.26938	0.9
123.00896	9.3
123.04546	1.6
124.01673	25.4
125.02467	41.4
137.02458	72.4
138.02795	1.0
149.99602	38.7
151.00314	3.8
151.04028	1.4
165.01891	1.5
167.03537	1.3
168.00656	84.2
169.01431	10.2
227.03516	5.9
289.07123	2.1
301.07336	0.9
313.05673	25.1
314.05991	1.8
331.06720	40.1
332.07007	2.7
451.08835	100.0
452.09329	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02706	0.5
63.41665	0.6
69.74415	2.4
73.42873	0.5
86.63069	0.5
89.03992	0.8
90.26675	0.5
91.01875	0.8
93.03497	1.0
95.05033	1.2
98.21870	0.6
103.05553	0.9
108.02140	0.7
109.02959	21.7
117.03442	1.0
119.05008	0.7
121.03010	0.6
123.04533	13.4
133.02968	4.3
145.02972	2.2
147.04543	4.4
149.02463	0.7
150.03253	1.1
151.04015	6.2
159.04524	1.1
161.02469	7.0
162.03145	1.7
163.04036	1.0
176.01137	0.7
177.01945	24.2
178.02219	1.6
185.06100	0.6
187.04041	1.7
189.01945	50.6
190.02701	11.0
191.03490	8.8
203.03482	5.3
216.00645	7.9
217.01413	29.9
217.03137	0.4
218.01974	3.1
219.02980	10.9
231.02968	9.2
232.03587	0.9
233.04501	1.5
281.04523	2.0
289.07141	1.2
297.07773	1.3
299.05621	2.6
323.05521	1.2
341.06668	100.0
342.07019	8.8
451.04382	1.2
451.10361	19.0
452.10599	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	8.6
60.01743	0.5
61.98845	4.5
65.98792	0.4
71.01403	3.3
73.02967	0.7
81.03487	1.5
83.05045	4.3
85.02995	0.8
89.02494	2.0
89.03996	1.0
95.05065	1.4
99.84792	0.5
101.02477	1.6
103.05571	0.5
108.02212	0.8
108.04594	0.5
109.02965	23.7
110.03316	0.9
113.02527	0.5
117.03527	0.6
119.03561	0.5
119.05019	0.7
121.02982	0.7
123.00926	0.7
123.04534	10.6
124.01656	0.8
124.04846	0.8
125.02474	1.5
133.03000	2.7
135.00932	0.6
135.04611	0.7
137.02448	2.0
139.04005	0.5
143.08328	0.9
145.03008	1.7
147.04532	4.6
147.08406	0.5
149.02499	0.9
150.03282	1.5
151.00455	0.7
151.04028	6.4
159.04541	1.3
161.02458	6.0
161.04558	1.0
163.04008	0.6
167.03587	0.6
175.04012	0.6
176.01202	0.7
177.01949	20.2
178.02304	0.6
187.04036	1.2
189.01950	47.2
190.02684	10.0
191.03540	10.8
201.01889	0.6
203.03526	6.0
207.15015	0.8
207.37634	0.5
209.14690	0.5
211.45482	0.5
213.01997	0.5
215.98727	0.9
216.00639	6.8
217.01440	29.0
218.02003	2.3
219.03012	12.1
220.03374	0.6
224.17903	0.6
224.82483	0.5
225.16130	2.8
231.03024	9.3
232.03625	0.8
233.04651	1.2
245.08275	0.9
269.14020	0.6
270.14273	0.6
271.14554	1.1
281.04651	0.5
289.07156	3.4
297.07953	0.8
299.05569	0.9
323.05838	1.1
327.04880	0.7
333.23141	0.9
341.06674	100.0
342.07040	8.5
363.02960	0.6
391.23489	1.6
433.31714	1.1
451.10336	19.7
451.20724	1.2
451.32867	21.9
452.10678	2.7
452.33026	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.7
60.46693	0.3
61.98830	2.8
62.11620	0.4
71.01355	0.3
73.08799	0.4
73.64899	0.4
79.99372	0.3
81.03445	0.4
82.31797	0.3
91.01873	0.4
91.25907	0.3
93.03497	0.7
95.05024	1.6
96.96030	0.7
103.05533	0.8
105.03461	0.5
106.75277	0.4
108.02170	1.0
109.02960	24.6
110.03312	0.6
117.03454	0.9
119.05019	1.3
121.02952	0.9
123.04533	12.5
125.02434	0.8
131.05025	0.4
133.02975	4.2
135.00880	0.8
135.04544	0.5
137.02429	0.9
145.02969	1.6
147.04521	3.8
149.02342	0.7
150.03220	1.2
151.02850	0.6
151.04016	6.4
159.04527	1.6
161.01141	0.5
161.02460	6.3
162.03133	1.2
163.04050	0.5
165.01849	0.5
175.04012	0.9
176.01187	1.0
177.01942	23.1
178.02328	0.7
187.04021	1.5
189.01942	54.9
190.02676	10.9
191.03502	11.0
192.03882	0.4
201.01964	0.5
203.03479	6.1
203.07339	0.4
204.03888	0.4
205.05133	0.4
210.86993	0.3
216.00644	7.0
217.01425	31.3
218.01971	3.0
219.02982	11.8
231.02980	10.3
232.03555	0.9
233.04497	1.1
245.08292	0.8
271.80014	0.4
281.04514	0.8
289.07205	2.8
290.07867	0.4
299.05597	0.4
323.05591	1.5
341.06671	100.0
342.06989	9.1
451.10361	17.0
451.20551	0.9
452.10455	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40849	0.4
53.57125	0.4
59.01373	1.7
61.98824	0.8
62.11615	0.5
66.86109	0.3
71.01385	1.1
75.58431	0.4
81.03454	0.5
85.02991	0.7
89.02443	0.7
89.03970	0.4
93.03455	0.4
95.05038	1.0
100.43987	0.5
101.02428	0.6
102.23052	0.4
105.03490	0.7
108.02209	0.7
109.02959	25.5
110.03308	0.6
113.02445	0.9
117.03456	1.0
119.05039	0.9
121.02968	1.0
123.04530	12.5
124.04861	0.5
125.02451	1.3
133.02965	4.7
134.03751	0.4
137.02457	1.6
145.02969	2.6
147.04506	3.9
149.02409	1.0
150.03235	1.6
151.04030	6.2
159.04488	1.3
160.01743	0.8
161.02463	6.8
161.04562	0.4
161.05995	0.6
162.03160	0.8
163.00441	0.6
163.04030	1.2
173.02423	0.5
175.04001	1.8
176.01157	1.1
177.01941	24.2
178.02290	1.1
187.04016	1.5
189.01942	54.4
190.02684	12.3
191.03520	10.9
192.03877	0.5
200.52261	0.4
201.01872	0.9
203.03519	6.9
207.95761	0.4
216.00639	8.1
217.01428	32.3
218.01971	2.5
219.02992	11.6
220.03311	0.8
231.02988	10.6
232.03667	0.8
233.04538	1.2
247.13390	1.0
277.16754	0.5
281.04648	0.6
287.05646	0.6
289.07288	3.1
297.07590	0.5
299.05569	1.9
323.05740	1.1
341.06671	100.0
342.07022	9.2
451.10425	20.4
451.20383	1.6
451.25864	0.5
452.10962	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1248
Annotation	Catechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03456	2.1
59.01374	0.4
67.78242	0.3
69.03439	0.5
70.62535	0.6
81.03448	2.2
83.01387	2.9
93.03454	1.1
95.01405	0.6
95.05042	2.7
97.02952	4.3
105.03422	0.4
109.02960	18.1
110.03294	0.7
111.04500	0.4
117.03467	0.5
121.02976	2.7
122.03757	0.9
123.03637	0.7
123.04542	14.1
124.04863	0.5
125.02460	16.6
126.02783	0.5
133.03023	0.4
135.04562	2.0
137.02457	18.7
138.03201	0.5
139.04019	2.5
145.01520	0.3
145.02972	0.9
146.03726	1.0
147.04529	0.5
149.02454	4.6
149.06065	0.5
150.03163	1.1
151.04027	7.9
157.06564	0.4
158.03654	0.4
159.04546	2.0
160.05307	1.0
161.02481	5.0
161.06105	3.8
162.03185	1.0
163.03989	1.8
164.01155	3.3
165.01953	6.6
166.02383	0.4
167.03517	1.8
173.06073	0.5
175.03999	2.0
175.07660	1.5
177.05602	0.8
179.03537	5.1
180.04259	0.3
185.06047	0.6
187.04024	3.7
188.04776	2.8
189.01920	2.1
193.05061	0.4
201.05621	0.5
202.06371	1.6
203.03580	0.4
203.07130	9.2
204.07460	0.7
205.05058	6.6
207.03001	0.5
212.04755	0.5
221.08220	2.3
227.07161	1.7
230.05922	0.5
231.03032	1.0
245.08209	14.3
246.08595	1.3
247.06100	0.9
271.06052	0.7
275.83521	0.3
289.07208	100.0
290.07568	7.0
299.07822	0.7
313.07245	1.7
314.07794	0.4
451.12961	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1247
Annotation	Catechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.63271	0.6
53.64075	0.5
57.03440	1.3
57.09449	0.5
59.39404	0.5
59.84431	0.6
67.27715	0.5
68.97650	4.2
81.03467	1.9
83.01385	2.3
86.97349	0.6
93.03470	0.9
95.05015	1.9
97.02953	3.2
98.21804	0.9
108.02220	0.6
109.02957	13.4
117.03405	0.8
121.02952	2.4
122.03722	0.9
123.04537	10.6
125.02447	10.2
135.04550	1.0
137.02448	12.8
139.03990	2.8
149.02454	3.4
150.03172	0.8
151.04016	5.4
159.04553	1.2
161.02483	4.3
161.06062	2.0
163.04008	1.7
164.01164	2.1
165.01947	5.2
174.03247	0.9
175.04034	1.4
175.07655	1.1
179.03528	3.0
187.03964	2.5
188.04701	2.2
189.01901	1.3
202.06332	0.9
203.07155	7.1
205.05051	4.5
221.08173	1.6
226.56487	0.6
227.07153	1.3
231.02934	0.8
245.08202	10.9
253.65329	0.6
289.07193	100.0
290.07529	6.9
313.07224	2.6
451.12473	6.4
451.26874	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.8
58.49592	0.5
69.03507	0.5
69.17348	4.2
74.11332	0.6
77.98725	0.5
81.03447	2.6
81.27543	0.5
83.01391	3.1
93.03456	0.9
95.05022	1.9
97.02972	3.7
109.02966	16.0
121.02973	3.2
123.03653	0.7
123.04540	12.6
125.02455	14.0
135.04509	1.6
137.02448	15.4
139.04057	2.6
149.02431	4.3
150.03210	0.7
151.04036	7.9
159.04539	1.6
160.05273	1.2
161.02449	6.0
161.06053	4.0
162.03188	1.0
163.03973	1.7
164.01129	2.5
165.01947	7.8
167.03484	1.8
175.03978	1.3
175.07652	1.7
177.05638	0.6
179.03514	5.0
187.04008	3.9
188.04823	2.6
189.01952	2.0
191.03693	0.6
201.05667	0.7
202.06413	1.5
203.07156	10.9
205.05069	7.3
207.02376	0.5
221.08195	2.0
227.07133	2.2
230.05814	0.8
231.02992	0.7
233.31978	0.6
245.08174	15.6
246.08533	1.1
289.07205	100.0
290.07568	6.1
313.07230	1.9
367.61353	0.6
451.12543	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1247
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03456	5.4
59.01383	1.2
67.52747	0.6
69.03448	1.4
70.63801	0.9
71.01384	0.9
71.56796	0.5
81.03462	0.8
83.01395	8.9
93.03477	3.0
98.21836	0.7
99.19647	0.5
105.03488	0.8
109.02960	6.4
109.76685	0.6
121.02962	0.8
123.04532	7.9
124.93446	0.6
125.02460	38.3
126.02807	1.5
133.02936	1.1
135.04453	0.7
137.02457	100.0
138.02744	3.1
145.02965	2.3
149.02438	4.9
150.03249	10.2
151.04019	21.4
152.04385	0.7
159.04562	0.7
161.06133	0.7
165.01961	1.3
166.02779	1.6
185.06152	0.7
187.04016	1.3
191.05632	1.6
201.05440	0.7
203.07100	1.3
208.99225	0.5
227.07230	1.0
245.08194	1.6
264.11719	0.6
271.06085	7.4
279.33411	0.6
289.07190	3.7
295.12042	0.5
299.18933	0.6
302.81369	0.7
313.09384	3.5
329.08801	1.1
451.12476	12.9
452.12909	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03213	1.3
57.03453	11.9
58.36488	0.9
59.01384	6.8
61.51629	1.1
61.98832	23.3
63.79887	1.2
71.01389	9.4
71.28493	1.7
72.99291	2.0
73.02940	3.2
73.41090	1.1
83.01390	1.6
85.02943	5.8
89.02448	2.8
93.03452	1.6
101.02461	5.1
106.87178	1.1
109.02968	4.0
113.01735	2.0
113.02463	25.6
117.03487	1.1
121.02872	1.4
123.00880	1.2
123.04527	1.9
125.02454	4.3
125.89463	1.0
132.02193	22.7
133.02919	4.4
134.03763	19.8
135.04532	2.4
137.02458	3.5
147.04375	1.5
149.06099	3.3
151.00354	1.3
151.04085	1.4
153.01984	2.0
160.01671	87.6
161.02101	3.6
161.04500	2.2
163.04120	1.3
168.00751	1.2
169.01430	1.3
175.04013	100.0
176.04361	4.6
177.01871	5.6
178.02673	2.1
189.01976	4.3
190.02634	1.7
191.03528	1.4
192.30067	1.1
193.05051	25.6
194.05333	1.8
205.05360	1.1
217.01398	3.2
217.05101	1.5
225.63994	1.1
247.13451	2.1
289.07098	2.8
289.14505	2.4
337.09302	66.0
338.09454	5.7
341.06744	8.0
409.18729	3.5
433.22437	2.2
451.12802	27.5
451.22653	3.2
452.13080	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03363	2.9
58.00495	0.6
59.01288	6.5
59.01627	1.3
69.03379	0.9
70.80350	0.5
71.01286	5.0
71.01698	1.3
71.30519	0.6
71.30893	0.6
73.02880	1.1
81.03359	3.9
83.01289	5.4
85.02860	2.8
87.04436	0.7
88.52454	0.5
89.02348	5.1
91.66223	0.6
93.03353	2.4
95.01310	1.2
95.05023	4.0
96.96022	3.6
97.02952	8.7
99.00806	0.8
99.04453	0.9
101.02459	4.5
105.03381	0.9
107.04967	0.8
108.02129	1.3
109.02959	25.6
109.03658	0.9
110.03151	0.9
111.00783	2.4
111.01473	0.6
111.04436	0.9
113.02354	2.4
117.03374	0.7
119.03413	1.7
119.04916	0.7
121.02945	4.3
122.03681	1.6
123.04541	20.7
124.04813	0.8
125.02461	20.7
126.02697	1.2
133.02975	3.3
135.04530	3.8
137.02457	33.4
137.03497	1.6
138.03012	0.7
139.04031	5.4
143.03419	0.9
143.04991	0.7
145.02917	1.1
146.03625	1.6
147.04478	1.2
149.02457	7.8
150.03131	1.5
151.04025	13.5
158.03668	1.0
159.04539	3.9
159.60794	0.6
160.05273	2.9
161.02467	13.4
161.04482	4.8
161.05984	8.1
162.03270	4.2
162.06219	0.6
163.00282	1.7
163.04034	2.8
164.01163	6.1
165.01945	9.2
166.02609	2.1
167.03392	2.5
171.10106	0.8
173.02367	0.6
173.05977	0.9
174.03181	1.7
175.04037	6.4
175.07567	2.6
177.01848	1.9
177.05460	1.0
179.03511	8.0
179.05089	1.1
179.05624	1.1
181.04977	1.3
185.06013	1.4
187.04021	6.1
188.04739	5.5
189.05457	0.7
191.03703	0.7
199.07663	1.3
201.05507	1.6
202.06305	2.9
203.03395	1.7
203.07155	16.6
204.07561	0.7
205.01379	2.3
205.05069	11.6
212.04816	1.0
213.05495	0.6
215.03305	0.6
217.04999	0.7
217.08748	0.6
219.02783	0.7
221.06708	0.5
221.08209	5.5
227.07098	2.3
229.05110	1.0
230.05740	1.1
243.02837	0.9
245.04526	1.0
245.08205	27.1
246.08591	2.9
247.06012	2.1
255.03157	0.7
260.11499	0.8
271.03369	0.8
271.06192	2.1
289.07205	100.0
289.20087	5.7
290.07550	7.7
293.08804	1.5
295.75009	0.7
299.05658	2.8
319.10382	0.6
319.14014	0.9
329.06711	0.8
341.06863	0.6
345.23306	0.6
391.09378	0.9
407.11908	0.7
451.12305	35.7
451.25809	5.9
452.12585	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03213	1.3
57.03453	11.9
58.36488	0.9
59.01384	6.8
61.51629	1.1
61.98832	23.3
63.79887	1.2
71.01389	9.4
71.28493	1.7
72.99291	2.0
73.02940	3.2
73.41090	1.1
83.01390	1.6
85.02943	5.8
89.02448	2.8
93.03452	1.6
101.02461	5.1
106.87178	1.1
109.02968	4.0
113.01735	2.0
113.02463	25.6
117.03487	1.1
121.02872	1.4
123.00880	1.2
123.04527	1.9
125.02454	4.3
125.89463	1.0
132.02193	22.7
133.02919	4.4
134.03763	19.8
135.04532	2.4
137.02458	3.5
147.04375	1.5
149.06099	3.3
151.00354	1.3
151.04085	1.4
153.01984	2.0
160.01671	87.6
161.02101	3.6
161.04500	2.2
163.04120	1.3
168.00751	1.2
169.01430	1.3
175.04013	100.0
176.04361	4.6
177.01871	5.6
178.02673	2.1
189.01976	4.3
190.02634	1.7
191.03528	1.4
192.30067	1.1
193.05051	25.6
194.05333	1.8
205.05360	1.1
217.01398	3.2
217.05101	1.5
225.63994	1.1
247.13451	2.1
289.07098	2.8
289.14505	2.4
337.09302	66.0
338.09454	5.7
341.06744	8.0
409.18729	3.5
433.22437	2.2
451.12802	27.5
451.22653	3.2
452.13080	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32185	8.3
59.01387	82.1
61.98830	52.2
68.99299	39.8
68.99721	63.2
71.01381	61.5
73.02939	14.6
80.58857	9.8
89.02457	21.2
98.22545	22.5
101.02467	31.4
113.02485	13.9
125.02465	19.4
137.02444	16.0
161.04562	17.2
166.06412	12.4
175.04062	9.4
181.08733	25.4
191.18906	9.7
283.12100	12.6
289.07281	18.0
415.16147	100.0
451.13956	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32185	8.3
59.01387	82.1
61.98830	52.2
68.99299	39.8
68.99721	63.2
71.01381	61.5
73.02939	14.6
80.58857	9.8
89.02457	21.2
98.22545	22.5
101.02467	31.4
113.02485	13.9
125.02465	19.4
137.02444	16.0
161.04562	17.2
166.06412	12.4
175.04062	9.4
181.08733	25.4
191.18906	9.7
283.12100	12.6
289.07281	18.0
415.16147	100.0
451.13956	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.1
59.01384	100.0
60.01695	1.3
61.98838	12.2
69.09706	5.7
71.01039	1.4
71.01390	19.0
73.02962	4.9
83.01421	2.2
83.90482	1.1
85.02955	4.3
87.00871	1.9
89.02457	23.5
95.01406	1.6
99.00880	2.4
101.02459	16.4
109.02976	2.6
113.02448	7.1
119.03493	7.4
125.02424	3.2
126.56124	1.1
131.03508	2.5
135.11929	0.9
137.02451	4.4
143.03508	2.1
149.02496	2.2
149.04581	10.0
151.03983	1.2
153.01872	2.1
161.04564	7.0
163.04073	0.9
166.06375	1.0
167.03508	3.9
168.04225	1.2
177.01929	1.1
179.03351	1.0
179.05611	3.2
191.05708	1.3
216.62364	0.9
221.06596	1.4
231.24397	1.1
241.84331	1.0
251.79181	1.2
265.03363	1.0
269.05026	1.1
271.05185	1.2
284.08746	1.0
289.07285	5.0
289.20270	2.7
341.06296	1.5
350.15344	1.0
391.23401	14.5
392.23712	2.3
415.16141	7.6
451.12753	5.6
451.25391	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79015	0.8
57.03434	1.1
59.01368	0.9
65.03992	0.7
68.32010	0.7
69.03442	2.4
69.54649	4.5
75.51444	0.7
75.55614	0.6
81.03466	3.2
83.01381	3.1
84.00219	0.7
85.69160	0.7
85.77989	0.7
93.03466	39.7
94.03802	0.9
95.01399	1.9
95.05013	1.2
97.02970	5.6
98.22414	1.2
107.01385	1.5
107.05027	1.2
108.02169	2.1
109.02958	17.5
113.02428	0.8
121.02940	3.1
121.06621	0.8
122.03728	2.9
123.00905	7.5
123.04536	10.5
124.01684	21.4
124.04760	0.8
125.02460	45.4
134.03743	6.8
135.04532	3.2
137.02455	75.5
138.02785	2.8
139.04015	5.1
143.05099	1.1
146.03697	1.0
147.04553	1.8
149.02490	6.3
149.06085	4.5
149.99596	36.6
150.03154	0.8
151.00232	3.1
151.04036	7.9
159.04486	2.6
161.02426	2.1
161.06105	4.2
162.03236	2.5
163.04001	3.1
164.01164	2.1
165.01927	6.5
165.05588	1.3
167.03481	2.8
168.00652	77.1
169.01390	10.1
169.69052	1.0
173.06152	1.2
175.03934	1.1
175.07657	1.0
177.01901	1.7
177.05658	1.3
178.02707	0.8
179.03534	5.0
187.04022	1.9
187.07663	1.0
188.04791	2.6
189.05661	0.7
191.03476	2.6
202.06308	1.2
203.03535	0.9
203.07188	5.0
204.07678	0.9
205.05083	6.4
211.02449	1.0
213.05562	1.5
215.07149	8.8
221.08176	1.0
227.03558	5.7
227.07190	1.3
245.08215	6.5
247.06322	1.1
257.08188	3.0
269.06729	1.2
271.09888	1.3
287.32959	0.8
289.07208	25.3
290.07434	2.0
301.07169	16.1
302.07547	1.1
313.05649	19.9
314.05908	1.0
315.08740	4.2
327.08786	1.0
331.06714	42.1
332.07083	3.0
378.49469	0.8
407.15063	0.9
451.08762	100.0
451.14175	16.9
452.09103	11.9
452.14520	2.7
470.88461	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	27.7
69.03455	2.9
70.04127	2.8
71.01388	8.6
81.03461	4.3
83.01387	13.2
85.02969	3.4
93.03467	8.7
95.05035	7.1
97.02940	14.7
101.02436	7.0
108.02174	8.0
109.02956	72.6
113.45994	3.1
121.02996	15.9
121.19218	2.6
122.03735	6.0
123.00870	3.4
123.04536	38.1
125.02468	25.0
133.02960	2.9
134.03749	22.7
135.04535	6.2
137.02463	46.3
139.04037	14.4
145.03000	5.1
146.03751	5.0
147.04527	5.7
149.02486	23.7
149.06122	15.9
149.99548	4.1
151.04015	36.0
159.04547	7.1
161.02428	11.2
161.04727	5.7
161.06104	13.4
162.03258	2.9
163.04019	11.3
164.01169	8.9
165.01921	23.5
165.05513	3.0
168.00636	10.9
174.03188	3.3
175.03967	5.3
175.07535	3.4
177.01909	7.1
179.03461	10.4
187.04007	9.2
188.04730	8.1
190.02708	3.0
191.03488	9.9
197.06052	5.1
201.05592	3.4
203.03470	4.4
203.07150	22.7
205.05086	21.3
213.05479	6.5
215.07162	24.7
221.08029	5.0
227.07040	3.9
231.02959	4.5
245.08215	20.1
247.13385	7.7
255.42987	3.3
257.08212	11.3
274.60562	3.1
287.09207	4.2
289.07211	100.0
290.07462	10.5
299.09085	4.6
301.03986	4.5
301.07211	57.1
302.07413	6.5
315.08801	14.2
341.06674	4.4
341.10657	3.6
391.17584	3.6
430.59558	3.7
451.08926	8.6
451.14227	82.5
451.20444	11.2
452.14465	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02164	1.0
52.44024	1.1
59.01384	22.9
61.98832	14.3
64.25616	1.0
69.09152	8.2
69.09569	3.5
70.22612	1.1
71.01017	1.0
71.01372	6.8
71.29762	0.9
72.99323	1.3
73.02920	1.9
78.24577	1.3
81.03445	4.9
83.05031	15.6
84.60303	1.1
84.64982	1.0
85.02956	4.6
89.02456	4.4
92.28848	1.1
93.03468	7.1
97.06586	8.1
99.21538	1.0
101.02442	3.8
103.07953	0.9
107.04984	1.5
111.04496	5.2
113.02451	1.8
116.23069	1.2
119.03471	1.4
125.07228	1.2
127.31926	1.5
132.12570	1.2
135.04538	44.7
135.45808	1.1
136.04800	1.2
143.08293	1.4
147.04509	2.0
149.06088	1.1
149.09715	1.7
155.03517	6.0
158.03845	1.1
159.04486	2.7
161.04646	2.2
161.06059	5.7
163.07625	1.1
173.04576	18.7
173.06021	3.4
175.03986	1.5
175.07521	1.1
176.04817	6.1
177.09196	11.0
179.03551	3.1
186.06857	2.5
187.07632	7.3
188.04816	2.3
189.05511	1.4
189.09256	9.3
191.05644	5.8
193.05992	1.5
204.07944	7.1
205.08693	8.5
213.09215	1.6
215.10829	8.2
217.01364	1.3
217.08704	5.2
224.17621	2.0
225.16095	6.8
231.10284	1.8
233.11839	17.4
234.12260	1.8
242.18675	1.2
269.47443	1.0
277.10831	100.0
278.11084	7.2
289.20233	1.9
333.22931	2.4
341.06613	2.8
391.19244	1.9
391.23560	1.9
433.31943	3.3
451.16232	30.8
451.22122	2.6
451.32904	44.0
452.16415	4.6
452.33118	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19721	6.0
57.03448	12.4
59.01136	7.5
59.01384	69.4
61.98827	14.0
65.28768	8.4
69.14914	47.9
69.15319	17.0
71.01391	40.8
73.02950	19.7
83.01384	9.3
85.02951	23.4
87.00880	11.2
89.02450	13.8
93.03454	36.4
94.03831	9.7
97.84137	7.1
99.04577	6.7
101.02460	28.0
109.02962	26.6
111.04615	8.0
113.02438	23.5
119.05050	9.9
132.02173	8.4
133.02942	21.3
134.03687	28.9
135.04507	25.9
137.02448	11.2
160.01662	41.7
161.02385	8.2
161.04527	7.6
162.03156	7.7
173.04529	29.6
175.03944	34.6
177.01949	31.2
178.02440	13.0
189.00508	6.5
189.01910	43.0
189.09200	9.5
191.03818	11.2
191.05623	63.0
192.05931	26.4
193.06126	21.8
217.01430	22.5
233.10742	9.1
249.11363	22.0
259.08954	7.9
275.09216	28.1
276.09586	24.0
277.10779	100.0
277.16406	9.8
299.09189	6.5
303.21689	8.9
337.09158	21.0
341.06680	72.0
391.23184	7.5
451.10388	15.6
451.15683	21.8
451.20844	25.2
451.29083	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11934	6.4
59.01384	22.7
61.98839	17.0
65.59505	7.1
71.01377	29.1
71.32320	9.8
73.02938	8.6
78.91904	12.6
85.02957	20.8
89.02455	8.3
93.03481	20.9
96.96025	8.4
101.02465	24.0
105.03477	17.1
107.05016	14.9
109.02964	27.1
111.04527	14.4
113.02450	8.8
120.99684	12.4
123.04551	17.6
125.02485	9.0
133.02998	42.6
134.03819	60.5
135.04575	95.0
136.04100	11.9
137.02443	9.7
145.03041	8.2
149.02489	9.1
155.03500	10.8
157.06668	8.4
161.02463	14.4
161.04491	13.9
162.03210	16.8
163.03711	7.9
173.04567	26.5
177.01945	52.4
178.02531	26.4
179.03078	8.9
187.07538	7.0
189.01945	19.3
191.05669	23.3
217.01534	13.6
231.10338	33.7
232.10649	16.9
233.10890	19.7
263.12903	25.9
275.09286	54.0
276.09555	69.3
277.09836	100.0
278.19571	8.1
341.06659	72.2
451.15488	16.7
451.28995	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98836	83.7
62.41642	9.7
69.14578	35.0
69.14999	58.5
71.01369	45.8
73.02936	12.1
85.02959	39.1
89.02475	19.3
93.03474	26.0
101.02474	15.9
107.30405	9.6
109.02939	51.0
123.04549	21.0
133.02948	34.0
134.03677	30.1
135.04581	80.7
137.02435	15.2
161.02487	20.4
173.04593	56.1
177.01965	33.2
187.07710	12.9
189.01947	21.4
191.05614	63.0
192.05946	11.5
201.09186	23.3
217.01427	14.7
231.10245	26.1
233.10971	10.9
245.08186	13.0
259.08716	13.1
261.06927	11.0
269.04562	16.2
270.04865	13.8
271.05093	20.1
275.09317	51.9
276.09732	42.0
277.09882	77.1
284.03174	12.7
289.07138	12.0
341.06680	78.2
391.23407	13.5
433.10699	11.9
451.21185	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	7.5
59.01381	46.7
61.98813	6.8
64.24844	2.2
69.27419	15.6
69.27840	4.9
71.01392	38.9
72.99312	3.6
73.02937	7.5
81.03453	3.0
83.01387	7.8
85.02960	36.2
87.00912	3.1
89.02455	38.8
93.03483	2.6
95.05016	3.6
96.96015	21.4
97.02933	7.2
98.22515	5.1
99.00873	4.3
101.02451	22.1
109.02959	29.9
113.02451	11.0
117.03461	3.4
119.03529	7.9
119.05028	5.4
121.02943	4.8
123.04514	15.6
125.02452	36.4
129.05539	4.3
131.03532	5.7
133.02966	5.0
135.04501	3.7
137.02455	32.4
139.04033	5.7
143.03488	3.6
149.02428	8.1
149.04555	4.6
151.04008	11.2
159.02957	3.3
159.04465	4.9
161.02513	16.3
161.04559	27.9
161.05963	4.9
161.28645	2.5
162.75870	2.3
163.00438	3.0
163.04034	6.3
165.01964	5.3
167.10707	2.3
175.04022	7.1
177.01910	7.2
179.03447	7.2
179.05606	3.0
187.04042	6.9
188.05608	7.7
189.02002	5.5
191.01962	32.5
191.03635	3.5
191.05624	7.2
202.06401	3.8
203.07156	15.3
205.05025	5.5
217.01213	3.2
227.07172	4.2
241.05492	3.3
245.08116	19.4
260.11395	7.9
271.06247	3.5
289.07196	100.0
289.19849	3.3
290.07486	8.2
293.08871	14.8
319.14047	5.2
327.22159	2.8
341.06641	10.8
345.07117	3.2
353.05170	3.5
391.01111	3.5
392.15479	5.2
405.21133	9.1
451.11047	10.2
451.21713	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32843	0.4
57.03455	0.8
58.00584	0.5
59.01384	100.0
59.42779	0.4
60.01720	0.6
61.98835	1.9
66.72292	0.4
69.60836	2.8
71.01385	8.4
72.99306	0.6
73.02966	2.1
83.01401	1.1
85.02946	2.6
85.12514	0.4
87.00906	0.8
89.02445	7.1
93.03497	0.5
95.01431	0.7
96.96035	1.2
98.21823	0.6
99.00921	0.7
100.82578	0.5
101.02442	5.5
109.02967	0.9
113.02448	3.3
117.97372	0.6
119.03497	3.8
121.03004	1.5
123.04530	0.7
124.63665	0.4
125.02464	1.0
137.02510	0.6
149.04626	0.7
159.03027	0.6
159.04501	0.6
160.09821	0.5
161.02501	0.6
161.04562	3.0
165.05669	1.0
173.04588	0.8
175.04010	0.5
179.05652	1.6
187.07683	1.4
188.08054	0.6
189.08278	1.0
191.05663	1.1
221.16574	0.5
227.08420	0.6
232.10660	0.7
233.10912	0.6
245.79695	0.5
275.09351	1.2
276.09683	1.5
277.09802	2.6
289.07315	2.1
289.10654	0.4
289.20340	1.7
296.20975	0.6
391.23389	5.7
451.10330	0.6
451.25632	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
57.03451	2.2
58.00599	1.8
59.01382	100.0
60.01722	1.4
61.98835	1.0
68.81544	0.4
69.01401	1.5
69.01801	4.1
70.95523	0.5
71.01387	33.1
72.99303	1.5
73.02953	12.9
83.01392	3.0
85.02953	12.0
87.00875	1.7
87.04513	0.8
89.01885	1.1
89.02447	24.0
95.01411	1.9
96.08855	0.5
97.02965	1.3
98.22527	1.4
99.00893	2.1
101.02451	20.4
103.04033	1.5
109.02955	0.8
113.02455	13.0
117.03496	0.8
119.03507	9.7
119.05017	0.8
120.03819	0.6
121.02963	16.1
122.03309	0.8
125.02480	1.2
131.03551	1.3
139.04015	1.2
143.03490	1.7
145.02972	3.5
147.11800	1.4
149.04555	1.0
149.22514	0.5
155.03543	0.5
155.10751	0.9
159.03030	1.3
161.04564	9.8
163.04028	0.6
173.04567	0.8
179.05635	5.0
187.07689	0.7
188.08037	0.9
191.05638	1.1
192.05994	0.6
210.57713	0.5
227.08368	0.9
229.18185	1.1
245.09097	0.6
264.68695	0.6
275.09180	0.9
276.09625	1.8
277.09979	1.9
289.07236	1.9
289.20221	13.6
290.20605	1.5
307.08337	1.3
313.08273	0.5
391.23355	7.4
433.11331	1.0
438.78238	0.6
451.25500	55.9
452.25839	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.1
57.03458	4.5
57.64559	1.2
58.00599	5.0
59.01384	100.0
61.98838	11.1
66.39500	1.6
67.01909	1.3
68.06915	1.2
69.03455	1.4
69.28069	5.9
71.01388	76.1
72.99314	5.2
73.02950	28.5
81.03463	3.7
81.56451	1.3
83.01392	8.3
83.51083	1.2
85.02953	24.2
86.52898	1.2
87.00914	3.8
87.04524	1.5
89.02453	92.2
90.02766	1.7
92.99834	1.9
93.03457	2.5
95.01395	6.9
97.02975	3.7
97.50375	1.5
99.00892	36.4
99.04539	2.2
101.02453	46.8
101.03130	2.5
103.04047	2.8
107.01406	2.2
109.02971	5.3
111.62976	1.3
113.02457	37.3
114.02779	1.6
117.03418	1.9
118.56353	1.2
119.03506	33.3
119.04894	1.6
121.02985	2.5
123.04539	6.0
125.02453	12.3
131.03490	8.3
134.03740	1.7
135.04584	2.8
137.02469	4.3
139.07692	1.3
143.03517	5.8
145.03008	3.1
147.11926	2.1
149.02501	4.6
149.04575	24.8
149.05931	1.5
150.03246	4.1
151.00403	4.4
151.04042	4.2
152.01115	2.8
153.01952	2.1
154.01587	1.6
155.10796	1.5
159.04515	1.4
159.60895	1.6
161.02495	2.5
161.04579	20.9
161.05927	2.5
165.01994	1.7
165.05649	4.8
167.03535	14.1
169.01419	3.2
175.33995	1.4
177.01871	1.6
178.99850	2.7
179.03601	2.5
179.05667	13.1
179.07011	1.6
181.00343	1.7
191.03865	2.3
191.05574	13.4
192.07898	2.8
193.96677	1.5
195.06667	1.7
197.04527	1.6
205.05025	1.7
209.04529	9.4
233.06688	4.9
245.08246	3.2
251.88260	1.5
255.12410	4.3
269.04581	4.4
270.04901	3.2
271.05234	3.8
273.07755	7.8
288.10043	3.9
289.07153	10.0
289.20209	26.8
290.20569	2.0
293.08810	2.2
309.08850	2.1
319.17590	2.4
331.08328	17.4
332.08749	2.1
341.06464	3.0
347.20410	1.4
361.09402	3.6
403.17624	3.7
451.12753	7.6
451.19119	3.3
451.25653	48.9
452.25784	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
57.03451	2.2
58.00599	1.8
59.01382	100.0
60.01722	1.4
61.98835	1.0
68.81544	0.4
69.01401	1.5
69.01801	4.1
70.95523	0.5
71.01387	33.1
72.99303	1.5
73.02953	12.9
83.01392	3.0
85.02953	12.0
87.00875	1.7
87.04513	0.8
89.01885	1.1
89.02447	24.0
95.01411	1.9
96.08855	0.5
97.02965	1.3
98.22527	1.4
99.00893	2.1
101.02451	20.4
103.04033	1.5
109.02955	0.8
113.02455	13.0
117.03496	0.8
119.03507	9.7
119.05017	0.8
120.03819	0.6
121.02963	16.1
122.03309	0.8
125.02480	1.2
131.03551	1.3
139.04015	1.2
143.03490	1.7
145.02972	3.5
147.11800	1.4
149.04555	1.0
149.22514	0.5
155.03543	0.5
155.10751	0.9
159.03030	1.3
161.04564	9.8
163.04028	0.6
173.04567	0.8
179.05635	5.0
187.07689	0.7
188.08037	0.9
191.05638	1.1
192.05994	0.6
210.57713	0.5
227.08368	0.9
229.18185	1.1
245.09097	0.6
264.68695	0.6
275.09180	0.9
276.09625	1.8
277.09979	1.9
289.07236	1.9
289.20221	13.6
290.20605	1.5
307.08337	1.3
313.08273	0.5
391.23355	7.4
433.11331	1.0
438.78238	0.6
451.25500	55.9
452.25839	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.9
57.61911	0.8
58.10022	0.8
59.01385	100.0
59.04426	0.8
60.01718	1.7
61.98833	4.9
63.65929	0.8
65.93149	0.8
69.09162	5.8
69.09583	2.8
71.01395	9.2
73.02940	1.8
81.03461	1.4
83.01402	3.2
85.02962	4.1
87.00840	1.3
89.02450	12.8
93.03488	1.2
96.95984	1.0
98.22628	1.5
99.00890	2.1
101.02473	6.9
107.01389	1.9
109.02980	3.1
113.02460	6.3
119.03484	2.0
121.02967	30.0
122.03313	1.8
123.04542	2.5
125.02468	18.3
125.06126	1.3
126.02813	6.1
127.02956	3.8
131.03532	2.0
133.03000	1.1
135.04529	1.5
137.02463	3.3
143.03497	1.8
149.02451	3.3
149.04579	9.4
150.03113	1.2
151.00331	2.7
151.04004	2.3
152.00766	1.1
159.04486	1.6
161.02464	2.8
161.04523	5.3
163.04002	1.4
165.01913	1.3
173.04575	1.6
173.06010	1.6
178.99962	2.0
179.03510	1.6
179.05815	1.2
187.07648	1.1
188.08025	1.2
191.05681	1.8
193.04921	1.5
205.05057	4.1
230.75356	1.2
233.06662	1.9
243.06145	1.1
245.08086	1.4
259.06195	6.6
260.06458	4.5
261.06757	8.3
269.04663	4.9
270.04916	3.5
271.05124	9.1
275.09152	1.3
276.09726	2.4
277.09662	3.5
287.05652	4.0
288.06042	3.5
289.06760	11.2
289.12061	1.0
293.08716	1.2
391.23434	4.8
451.11478	17.9
451.17465	2.0
451.26215	1.3
452.11200	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2858
Annotation	dihydrocelastrol
Peak:m/z	Relative Intensity
54.62565	2.6
57.03447	6.2
61.66023	2.8
65.92989	2.8
69.03445	5.5
77.65083	2.2
78.95904	3.3
83.05029	4.5
83.91975	2.6
93.83015	2.4
96.96017	5.0
98.21701	3.3
101.02463	5.0
109.06598	5.2
147.08240	2.3
152.99573	3.5
173.13330	8.7
205.99028	2.4
221.95303	2.9
283.20642	39.5
284.21051	6.2
318.83026	2.9
331.24280	10.1
341.24945	6.9
345.22293	6.1
349.25348	32.2
363.23447	3.1
375.23331	16.4
407.29568	9.1
433.27405	28.2
434.27640	4.4
451.28503	100.0
452.28531	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2855
Annotation	dihydrocelastrol
Peak:m/z	Relative Intensity
59.98523	3.3
69.37078	18.6
69.37495	4.3
92.39039	2.9
111.04563	4.1
111.25945	2.7
129.90454	3.1
138.06853	10.9
149.56430	3.2
300.15762	3.3
407.29590	100.0
408.29803	12.8
451.28171	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2858
Annotation	Chabrolobenzoquinone F
Peak:m/z	Relative Intensity
57.03437	3.6
61.98823	2.8
66.04755	2.0
66.27141	1.8
71.33930	1.9
76.91870	2.1
83.05010	1.8
85.02978	1.8
131.08630	3.0
145.12659	2.0
146.46814	2.0
171.11861	4.1
240.09779	1.8
331.24384	9.7
375.23309	45.8
376.23746	4.2
393.24380	8.6
451.28528	100.0
452.29004	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3217
Annotation	Supinenolone D
Peak:m/z	Relative Intensity
57.03446	0.7
66.56179	0.2
79.68655	0.2
85.06598	1.0
88.21972	0.2
97.06590	3.5
111.04540	0.4
153.09216	0.7
225.22295	0.3
229.38834	0.2
241.16093	0.3
264.15173	0.3
295.17484	0.3
339.27145	0.3
361.29016	0.3
367.30179	0.7
375.26877	1.9
391.30154	3.4
392.30667	0.4
407.26050	0.5
407.32980	0.6
423.29303	0.4
451.32187	100.0
452.32513	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3222
Annotation	Supinenolone D
Peak:m/z	Relative Intensity
51.22525	0.8
65.80834	0.6
68.30891	0.6
85.06585	2.2
97.06616	0.9
98.22640	1.3
99.79625	0.8
110.09344	0.6
217.60342	0.7
337.25522	0.7
405.31543	0.8
407.33780	0.8
451.32190	100.0
452.32486	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.322
Annotation	Stellettin J
Peak:m/z	Relative Intensity
70.52030	2.6
72.56043	0.7
85.06591	1.1
104.82587	0.8
111.04514	3.4
125.65791	0.7
127.94482	0.7
159.08456	2.2
323.23706	1.1
351.26892	1.4
391.29987	1.2
409.33801	0.7
451.32172	100.0
452.32513	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	0.3
59.01384	0.7
60.58395	0.1
61.98834	1.5
69.04172	0.3
69.04582	0.9
71.01385	0.2
72.04568	0.2
80.05065	0.5
81.03461	10.4
82.03802	0.3
82.06619	0.1
83.05031	27.2
84.05352	0.4
85.02922	0.2
97.83810	0.1
98.21774	0.2
107.06171	1.0
107.89606	0.2
108.04559	1.1
109.02964	0.5
123.04475	0.2
125.02443	0.3
125.07219	3.2
126.05625	0.5
137.02420	0.3
140.79271	0.1
141.22755	0.1
143.08267	1.6
149.99571	0.2
153.01912	0.3
157.13438	0.2
168.00580	0.4
177.01881	0.3
183.15013	0.2
189.01952	0.7
189.14037	0.2
207.15044	3.5
208.13416	0.2
208.15381	0.2
216.00697	0.2
217.01445	0.4
224.17705	4.7
225.16084	11.9
226.16425	0.8
231.03000	0.2
242.18712	1.8
250.15578	0.4
266.18799	0.2
289.07364	0.2
290.22510	0.3
307.23795	0.2
309.21936	0.6
324.26511	1.8
333.22964	4.5
334.23303	0.3
341.06653	1.0
341.29434	0.3
351.23929	1.1
367.27036	1.4
385.28253	0.3
391.23459	0.2
433.31848	6.0
434.32150	0.7
451.32904	100.0
452.33221	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56260	2.2
55.01863	5.3
57.03447	4.8
59.01091	4.3
59.01381	83.1
61.88097	2.5
62.91462	3.0
69.03434	5.0
71.01389	99.9
72.01717	4.0
72.99306	3.5
73.02945	19.2
81.03460	3.9
83.01400	9.2
85.02943	20.8
87.44290	2.5
89.01894	3.2
89.02457	65.8
95.01392	4.3
96.96021	2.9
97.02957	9.9
99.00889	8.4
101.02440	38.4
102.38560	2.5
113.02465	30.4
123.04529	2.9
125.02451	30.6
131.03548	18.5
135.04544	2.7
137.02432	7.5
143.03505	8.6
149.04556	19.4
153.60457	2.5
159.02979	8.2
161.02472	4.7
161.04564	100.0
163.04102	3.0
184.56609	3.5
188.04050	4.7
188.05643	48.5
203.07118	3.1
246.08437	4.4
260.11359	39.2
284.05740	2.9
289.07275	7.2
290.07690	15.5
293.08807	75.4
294.09149	5.8
392.15683	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.8
59.01382	74.1
59.51355	3.0
61.98826	7.8
69.03465	6.7
69.25555	20.4
71.01387	85.1
72.99326	5.1
73.02958	15.7
75.53916	3.1
75.89786	2.7
83.01413	9.7
85.02972	21.0
88.98754	2.9
89.02451	69.8
95.01385	8.5
96.96015	14.9
97.02964	7.5
99.00906	10.2
101.02446	34.4
109.02950	9.0
113.02471	29.2
119.03590	3.9
119.05039	8.1
123.04525	7.7
125.02470	35.4
126.02810	5.4
131.03526	8.8
137.02490	11.2
141.03554	3.7
143.03499	10.0
149.02515	3.6
149.04564	18.8
151.04044	3.6
151.79187	3.7
152.04349	3.8
156.36481	3.3
159.03018	8.1
159.04408	4.1
161.02483	5.8
161.04564	100.0
161.05891	6.4
165.01971	3.6
188.05676	44.8
191.05635	4.1
205.03537	5.6
238.35391	3.2
245.08282	4.9
251.59084	3.2
260.11398	32.3
289.07251	16.8
290.07571	30.1
293.08810	79.1
320.10132	3.5
330.91562	3.2
392.15540	19.1
452.10599	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	9.8
59.01381	21.7
61.98841	31.1
71.01034	9.1
71.01376	12.2
83.66885	6.9
84.00906	11.3
89.02453	7.0
93.03483	23.2
94.03758	6.1
97.02966	15.3
109.02954	21.8
121.02942	6.9
122.03828	8.6
123.04539	25.4
124.01708	12.5
124.04874	7.3
125.02508	32.8
126.02809	12.0
137.02461	49.0
138.02759	19.6
139.04044	8.1
147.74748	6.2
149.02498	6.8
149.99570	12.7
150.99908	10.2
151.03958	6.9
162.06607	8.0
162.28754	5.5
163.07350	8.3
165.01910	15.9
165.05515	7.8
166.02272	6.5
168.00635	33.7
169.01205	11.0
175.04071	8.9
179.03560	8.6
201.12851	10.3
203.07094	11.3
204.07474	12.7
205.05040	9.6
206.05426	12.6
231.76427	6.9
245.11859	24.3
247.13422	100.0
289.07220	31.9
290.07593	50.6
313.05576	9.1
328.09250	12.0
331.06842	9.4
332.07098	17.7
335.13861	7.0
408.15536	10.1
409.18512	11.9
452.09155	57.4
452.14517	52.5
453.15900	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11457	10.8
55.13307	9.1
55.38256	10.4
57.03434	18.4
58.04370	10.1
59.01376	44.2
61.98826	31.8
66.58111	11.3
69.13600	29.7
69.14001	79.2
71.01373	21.3
77.50241	10.1
81.85257	9.4
83.85460	11.7
85.02970	12.2
96.96028	18.1
101.02470	21.3
109.03005	12.1
111.04605	11.6
123.04507	12.7
125.02372	14.8
133.03052	17.2
135.04616	21.3
136.04912	19.9
139.07649	11.4
151.07649	41.8
152.08441	17.5
166.21561	10.2
177.01959	12.7
178.02290	13.6
189.01990	15.3
201.12878	15.1
201.94443	10.3
204.11610	20.4
208.41449	12.0
217.01358	11.9
219.13971	35.2
263.12918	100.0
264.13092	12.0
275.09402	12.4
276.09634	30.2
278.10278	12.7
342.07086	30.7
380.06522	11.6
432.91202	10.9
452.20255	12.9
452.27405	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30886	5.3
59.01379	19.1
61.28941	5.8
61.98832	37.2
71.01379	13.0
71.31918	7.0
73.02956	8.8
85.02950	8.8
101.02441	13.5
122.54699	5.6
135.04491	8.7
161.04506	7.1
201.12836	9.7
203.10764	7.3
204.11511	17.2
219.13936	22.0
255.16084	8.0
263.12875	100.0
264.13229	9.6
276.09714	8.4
277.16629	17.3
278.10068	7.4
445.14246	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.2
59.01373	32.3
61.98829	9.5
69.03013	42.4
69.03320	7.7
71.01385	27.5
71.49350	4.7
73.02951	10.2
83.01350	5.3
85.02933	22.8
87.00878	5.7
101.02452	37.5
113.02451	10.5
131.03525	40.6
161.04567	12.8
169.55717	5.0
191.05641	19.5
192.06027	17.6
193.06065	36.3
194.06387	18.0
207.10210	5.1
239.31590	4.9
277.16583	100.0
278.16953	8.5
282.43649	4.9
317.10089	5.6
353.72095	4.8
409.20712	21.8
419.67575	4.6
442.59921	4.5
453.15189	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.2
59.01373	32.3
61.98829	9.5
69.03013	42.4
69.03320	7.7
71.01385	27.5
71.49350	4.7
73.02951	10.2
83.01350	5.3
85.02933	22.8
87.00878	5.7
101.02452	37.5
113.02451	10.5
131.03525	40.6
161.04567	12.8
169.55717	5.0
191.05641	19.5
192.06027	17.6
193.06065	36.3
194.06387	18.0
207.10210	5.1
239.31590	4.9
277.16583	100.0
278.16953	8.5
282.43649	4.9
317.10089	5.6
353.72095	4.8
409.20712	21.8
419.67575	4.6
442.59921	4.5
453.15189	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.2
59.01373	32.3
61.98829	9.5
69.03013	42.4
69.03320	7.7
71.01385	27.5
71.49350	4.7
73.02951	10.2
83.01350	5.3
85.02933	22.8
87.00878	5.7
101.02452	37.5
113.02451	10.5
131.03525	40.6
161.04567	12.8
169.55717	5.0
191.05641	19.5
192.06027	17.6
193.06065	36.3
194.06387	18.0
207.10210	5.1
239.31590	4.9
277.16583	100.0
278.16953	8.5
282.43649	4.9
317.10089	5.6
353.72095	4.8
409.20712	21.8
419.67575	4.6
442.59921	4.5
453.15189	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00878	1.4
57.03442	1.9
59.01387	38.8
59.88761	1.4
60.01703	4.2
61.01809	3.4
61.98837	100.0
70.12982	5.4
70.74989	1.4
71.01385	5.9
73.02924	1.9
80.96524	4.0
83.01400	3.2
89.02444	5.2
98.43933	1.7
99.00884	2.0
101.02454	5.1
105.22020	1.5
109.02965	6.1
113.02482	2.3
119.05025	5.6
121.02978	3.4
123.04565	3.8
125.02467	8.8
137.02448	6.3
149.02480	2.9
151.04031	4.9
161.02402	1.9
161.04614	3.3
161.05977	2.5
162.02904	1.6
163.00398	3.0
163.06198	2.7
165.01944	7.6
177.02048	2.0
179.03448	3.2
180.04318	2.8
187.03911	1.4
195.06703	4.1
203.07135	4.4
205.05084	2.9
215.07256	1.7
225.07610	2.3
245.08150	1.8
247.11931	2.2
260.06592	1.7
262.07135	1.9
266.43344	1.7
270.04980	1.5
289.07208	22.5
290.07596	3.1
294.04590	1.4
315.08835	4.5
351.74847	1.5
392.23288	2.0
393.17795	4.2
452.12256	3.0
453.12784	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2787
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
53.57896	0.2
54.27340	0.2
62.96414	0.4
69.04708	0.3
69.05106	2.2
78.95911	20.8
89.82876	0.2
97.97586	0.2
98.21814	0.5
108.44315	0.2
122.00137	0.9
130.61377	0.2
134.98575	0.3
140.01202	5.3
152.99623	1.6
171.87543	0.2
196.02014	0.5
196.03816	8.7
197.04149	0.3
214.04906	1.8
237.22162	0.3
255.23312	100.0
256.23669	7.1
452.27853	20.2
453.28165	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	3.3
71.01369	3.3
71.29552	1.5
72.50750	1.2
74.31999	1.2
78.95917	3.9
85.02937	1.5
89.02459	1.5
94.20818	1.1
96.96021	29.4
96.96983	4.6
97.06595	1.5
98.95601	38.3
98.96436	6.6
99.92596	37.0
99.93111	0.7
99.93275	1.3
100.92688	1.4
100.93362	4.5
101.02431	2.3
110.98276	1.1
115.92087	53.4
116.92126	2.7
116.92883	8.2
117.60591	1.1
125.02462	1.5
134.03752	7.7
135.04509	8.1
159.06558	1.2
159.32140	1.2
179.03526	5.9
191.05606	16.4
192.05962	2.9
193.06155	8.8
215.17386	1.2
215.95108	1.6
216.95975	3.1
217.96785	12.9
218.97554	46.1
219.94719	1.9
219.97682	4.6
244.95381	2.9
256.97705	1.6
261.95682	2.9
262.96530	100.0
263.96710	10.2
307.08487	1.5
355.09442	1.9
373.00217	8.7
391.01309	32.7
392.01422	4.2
409.14801	1.3
435.00293	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37855	1.5
59.01381	5.7
68.97652	7.5
68.98077	10.3
69.03440	3.1
71.01379	4.4
73.02945	2.6
78.95910	5.8
83.01396	3.1
85.02955	3.3
87.00887	2.8
89.02450	4.0
93.03456	15.8
96.96014	10.6
96.96951	5.8
98.22556	3.9
98.95605	2.7
99.00844	1.6
101.00946	1.9
101.02451	1.9
111.04498	4.2
113.00928	1.6
113.02427	2.1
115.02507	7.2
117.00436	4.8
125.00956	10.1
125.02403	2.1
126.98910	12.2
127.02526	3.4
134.03793	2.0
135.04532	14.2
137.02452	9.0
141.00508	1.8
141.04089	3.6
143.03564	1.7
147.06865	1.8
149.01003	1.9
151.02515	5.3
155.03539	1.8
157.03532	4.0
161.04486	2.9
163.02521	4.2
167.02017	4.0
168.99944	31.6
169.03572	4.8
173.04567	26.1
175.02527	46.6
176.02699	7.8
176.98926	3.7
177.00441	57.2
177.01976	2.9
178.00545	3.3
179.01944	2.2
187.02513	3.4
189.00467	21.3
190.01163	2.9
191.02010	4.2
191.05609	12.3
192.06056	3.0
195.01503	27.7
201.00479	8.6
202.00583	2.2
211.00948	4.1
213.02611	6.6
215.05676	9.0
217.03566	4.0
218.97835	2.3
219.01501	21.5
220.01614	2.1
221.06827	1.8
229.03578	3.1
231.01576	3.0
231.03514	3.7
233.02998	4.1
241.07072	2.2
243.05093	4.2
245.03087	7.1
247.01016	5.0
255.03674	4.5
257.03268	4.0
259.00967	6.1
261.02640	3.7
262.96442	2.7
263.04068	3.9
273.04724	64.8
274.04910	5.8
275.04010	3.4
277.01913	4.5
285.02594	2.0
287.04184	5.8
289.02148	2.9
301.02008	5.9
305.05194	4.6
332.97147	2.6
333.04663	11.4
345.04660	14.4
351.05786	5.9
357.04330	2.5
363.05539	15.4
364.06100	2.5
375.05615	12.4
376.05988	2.0
381.06937	7.4
393.06827	58.3
394.07004	9.9
411.07858	100.0
412.08170	13.2
423.07947	27.0
424.08261	2.7
435.07935	3.1
453.08951	50.3
453.33414	2.1
454.09406	8.5
461.79694	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.6
59.01388	11.1
61.01797	0.9
61.98836	4.8
67.01891	0.8
69.03430	1.0
71.01396	3.9
71.30955	1.0
73.02945	1.2
75.31492	0.6
81.03464	2.2
83.01386	6.8
83.05036	1.1
85.02947	2.1
89.02458	3.4
93.02923	1.1
93.03455	6.2
95.01384	1.2
95.05032	3.0
97.02952	8.0
99.00881	1.3
101.02460	2.3
107.05023	1.4
108.02170	1.4
109.02961	28.1
113.02469	1.1
117.03500	0.8
119.05034	25.0
121.02966	5.9
122.03752	2.5
123.04533	23.2
125.02458	13.7
127.04014	2.0
130.57564	0.8
131.03494	1.5
133.02901	0.9
133.06602	3.6
135.04541	3.1
137.02454	12.7
139.04039	4.5
143.05054	0.9
145.02933	6.3
146.03709	2.4
147.04562	1.2
148.85292	0.9
149.02444	6.1
149.04576	1.2
151.02870	1.2
151.04019	14.2
159.04558	4.9
159.06651	1.9
159.08144	3.0
160.05249	1.0
161.02478	2.9
161.06071	11.0
162.03238	2.8
163.04005	5.6
164.01152	4.0
165.01926	5.1
167.03503	0.8
173.06090	1.8
173.09683	0.8
175.04022	3.2
175.07605	1.9
177.05550	2.0
179.03513	6.0
185.06064	1.3
187.04030	5.2
188.04793	4.4
190.02740	1.2
191.03549	1.3
191.05707	0.9
199.07668	1.8
201.05565	1.0
202.06322	2.0
203.07147	25.0
204.07547	1.0
205.05046	15.6
215.10732	0.8
221.08180	2.6
221.80362	0.7
227.07147	3.0
229.05045	1.2
229.08688	2.3
231.02966	1.9
245.08195	19.8
246.08484	1.3
247.06073	2.1
247.09695	1.4
255.06525	0.8
260.61722	0.7
260.64792	0.8
271.06195	2.0
271.09766	2.6
289.07196	100.0
290.07574	7.7
301.07114	1.5
315.05270	1.7
315.08786	28.6
315.12485	1.4
316.09024	3.1
325.10837	0.9
331.08237	0.9
341.06635	7.2
365.13770	1.0
409.12735	1.0
435.10785	4.2
436.11752	1.0
453.11966	17.4
453.19543	2.6
454.12173	1.4
459.23639	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21731	0.7
59.01381	0.9
68.99818	3.0
69.03468	0.7
71.01367	1.6
71.05013	1.9
85.26764	0.6
87.11134	0.7
97.02983	1.1
98.21751	1.9
109.06596	2.2
115.04015	1.1
121.02966	26.0
129.07101	0.9
131.08623	1.3
138.50049	0.7
143.08679	1.1
153.05563	9.8
157.06578	5.1
157.10249	1.3
159.08167	1.1
169.06624	1.4
173.06102	1.4
173.09865	1.0
185.06129	1.4
185.09660	3.4
186.05298	1.4
186.06865	3.3
186.16861	0.8
187.07658	11.0
188.04770	1.3
197.09724	1.4
198.06750	0.7
199.07635	4.5
200.08337	4.9
201.05626	3.9
202.06355	2.9
213.05594	1.5
213.09238	2.0
214.06381	1.0
215.07150	18.3
215.10612	6.7
216.04306	1.7
216.07539	1.4
216.11061	0.7
225.05643	1.0
226.06393	1.0
227.07172	1.6
228.07915	3.2
229.05049	1.3
231.06677	1.0
241.08728	1.7
242.09557	0.9
243.10263	4.9
245.08481	0.8
254.05945	1.7
257.07974	0.9
272.06900	1.1
287.09268	100.0
288.09598	7.8
331.08237	17.8
332.08658	1.4
409.23840	1.2
429.59198	0.8
453.12296	4.2
453.22925	4.7
453.30026	11.5
454.23135	0.8
454.30185	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46081	7.4
57.03473	11.7
57.54652	8.1
58.96586	8.4
59.00903	8.4
59.01381	37.2
71.01389	16.4
71.30867	14.4
78.95922	37.8
82.51746	9.1
83.05041	40.7
87.00878	7.9
89.02452	29.2
96.96033	11.0
96.96977	57.1
101.02435	13.6
109.02956	26.3
113.02468	12.3
114.93409	9.3
119.05042	14.3
120.99694	10.2
121.02994	14.9
123.04564	13.4
125.02470	78.0
127.04033	100.0
137.02455	24.4
149.02541	10.4
159.06638	73.1
161.02460	24.6
165.01909	43.0
177.05629	9.4
179.03534	11.4
193.04999	12.3
203.07292	17.0
230.99944	25.6
245.08263	14.4
275.99646	19.6
289.07211	45.9
291.01978	27.5
315.08789	13.5
394.05539	7.8
453.33463	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.0
59.01389	4.2
61.98817	1.3
62.77615	0.7
69.71662	3.4
71.01395	1.8
80.02681	0.9
81.03448	2.6
83.01387	2.6
83.05022	0.7
89.02452	1.2
93.03465	1.5
95.05021	2.3
97.02953	7.4
98.21927	1.2
101.02441	1.9
108.02192	5.5
109.02961	22.2
121.02959	3.6
122.03712	2.2
123.04543	16.2
125.02462	12.7
135.04541	2.7
136.62036	0.8
137.02448	12.1
139.04008	4.2
145.02969	2.1
146.03772	0.9
149.02429	4.5
150.33337	0.9
151.04021	7.3
154.02740	1.4
159.04486	2.9
159.78693	0.9
160.05301	2.0
161.02452	1.6
161.04865	1.1
161.06073	6.8
162.03258	2.0
163.04120	1.2
164.01094	3.2
165.01932	8.5
165.05588	1.1
167.03481	1.6
173.06110	0.9
175.03986	2.4
175.07660	1.9
177.05568	1.9
179.03555	5.7
187.04063	4.7
188.04747	3.1
201.05595	1.1
202.06238	2.4
203.07144	11.4
203.10838	0.7
205.05035	8.9
210.55972	0.8
221.08168	2.5
227.07141	2.1
245.08217	15.7
246.08606	1.6
247.06044	2.4
249.14929	6.3
253.85715	0.8
254.40225	0.9
271.06189	0.9
285.11359	1.5
288.06400	1.2
289.07202	100.0
290.07605	7.2
329.10300	13.3
330.10831	1.4
388.92877	0.9
409.16721	1.4
453.15521	5.2
453.21506	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31700	0.7
50.59341	0.8
52.77151	0.8
53.95251	0.9
57.03436	1.0
59.01371	3.8
62.89849	0.8
69.03456	1.6
70.14321	0.9
71.01391	4.9
72.99342	1.3
73.02951	21.0
78.95912	1.1
79.80879	0.8
81.03446	2.2
83.01391	0.9
83.05026	7.6
85.02951	2.7
85.68732	1.1
89.02457	1.9
93.03465	45.2
94.03813	1.3
96.96023	8.2
96.96961	2.0
98.22162	7.2
99.00878	6.3
99.04538	7.0
101.02481	1.0
105.11504	0.9
107.22224	0.9
109.02972	1.3
111.04535	19.4
113.02541	1.1
117.05597	5.3
118.96772	0.9
121.02956	1.1
125.00836	1.0
129.01942	2.6
135.42239	0.8
137.02464	16.6
143.03506	4.6
149.06120	1.7
151.94279	0.9
155.03532	10.6
161.02629	1.0
163.02498	1.1
167.02029	1.2
168.30626	0.9
168.99988	1.7
173.04555	100.0
174.04889	3.5
175.02522	2.9
177.00418	1.5
181.05098	1.1
189.00311	0.9
191.05649	0.9
193.05060	1.9
195.01509	1.7
226.98616	1.0
273.04684	3.3
289.02393	3.2
363.07721	1.1
381.06290	1.1
393.06949	4.5
411.07816	5.9
423.29721	1.0
453.09882	6.1
453.15552	1.2
453.33850	1.1
458.95697	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28490	1.1
55.01886	1.3
57.03440	1.6
58.00596	2.5
59.01381	100.0
60.01711	1.3
61.89117	1.1
67.42767	1.0
68.33150	1.3
71.00980	1.8
71.01385	33.8
72.01714	1.2
72.99284	1.8
73.02950	6.2
83.01354	2.4
85.02962	6.8
87.00866	4.0
87.04495	1.6
89.02454	55.8
98.36308	1.2
99.00892	1.6
99.08150	8.7
100.39210	1.1
101.01800	2.3
101.02442	24.9
103.04032	1.8
113.02444	9.9
115.04002	1.8
115.43082	1.1
117.58414	1.2
119.03522	15.7
127.07672	1.9
131.03511	36.7
141.00072	1.2
143.03522	8.4
145.08710	19.9
146.09052	1.3
149.04568	23.8
161.04559	4.9
163.06143	1.4
173.04599	1.3
179.05614	17.9
191.05597	15.0
205.07155	3.3
221.06618	1.6
229.18935	1.6
251.07559	1.4
261.13446	7.5
278.47360	1.3
282.54529	1.2
382.11755	1.2
383.99429	1.3
384.04697	1.4
393.17645	5.0
400.40796	1.2
441.62549	1.4
453.19775	46.7
454.20090	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44277	2.6
52.95750	3.0
59.01386	100.0
69.01488	34.7
71.01382	22.9
71.78252	2.9
73.02960	8.1
77.07769	3.0
81.88181	3.2
83.01407	7.5
85.02989	10.2
89.02448	7.7
95.05035	3.9
97.02938	5.8
101.02432	18.2
109.02960	14.9
113.02451	8.9
121.02957	4.1
123.04561	10.6
125.02483	10.4
135.04536	4.2
137.02452	9.9
139.04004	4.6
149.02438	4.6
151.04044	7.5
159.03052	4.8
159.18980	3.0
161.04597	17.3
161.06146	4.5
165.01883	6.4
188.04790	3.7
203.07182	7.0
205.05136	10.8
212.68785	3.0
229.13124	3.0
245.08211	10.2
248.13829	3.6
249.15018	6.3
289.07202	79.9
290.07538	5.4
329.10342	6.6
393.19318	10.8
423.66074	3.3
453.22504	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91798	10.5
51.84731	9.9
55.82168	11.2
59.01391	100.0
61.98798	11.4
69.16198	17.1
69.16602	76.1
71.01379	24.4
83.01420	13.0
85.02971	23.4
98.22543	24.5
101.02491	29.6
108.74620	13.0
137.02452	22.0
150.65793	10.6
161.04520	26.3
224.70383	10.8
249.14908	19.1
312.89966	11.0
393.24777	19.5
453.22372	55.7
454.23010	12.2
454.32300	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2265
Annotation	Arisugacin E
Peak:m/z	Relative Intensity
59.01377	82.8
62.64341	15.2
70.34540	16.0
70.34859	34.9
75.05112	13.8
77.39130	13.3
96.96032	28.8
99.48244	13.1
149.06055	33.7
161.04506	14.9
199.13403	31.5
209.08247	57.9
226.06102	13.3
243.12355	29.2
243.58864	13.9
255.10384	17.6
268.75500	12.7
346.48013	15.7
453.22452	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47435	1.2
56.21751	1.0
59.01382	2.5
59.38496	1.0
61.39714	1.1
69.08337	7.1
69.08739	2.4
78.95911	55.3
83.05051	1.4
89.52734	1.0
91.62804	1.1
96.96967	4.4
111.04469	1.2
127.07705	1.2
139.43565	1.1
149.15370	1.1
151.07643	4.4
152.99602	66.3
171.00648	21.9
174.79852	1.1
183.10738	1.0
192.15288	1.0
225.18619	69.2
226.18959	4.1
227.03311	4.8
245.04327	100.0
246.04660	2.6
316.33994	1.1
432.78769	1.1
435.34851	2.4
453.22580	25.2
453.31900	6.6
454.22971	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	24.2
59.01372	22.3
59.01647	5.6
71.31003	6.0
71.31387	8.4
72.99283	12.8
79.12844	6.8
83.05017	9.7
85.02941	10.2
99.21057	5.8
103.54463	6.5
111.04535	18.3
112.04842	13.7
191.05571	12.1
281.14075	7.6
282.14233	13.8
283.14493	12.1
314.35400	6.8
379.90497	6.8
425.24152	11.1
435.23004	22.2
435.29123	6.8
453.24033	100.0
454.23828	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	65.8
69.04749	100.0
71.01373	15.2
89.02415	13.2
95.22645	10.3
123.04540	10.9
132.81413	10.3
143.81085	10.9
154.93452	10.0
164.98454	11.1
185.13054	10.1
249.14929	23.9
273.25592	10.2
289.07199	29.2
338.94745	10.5
453.22668	43.0
463.23746	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12018	1.0
55.01883	11.8
57.03454	7.6
57.64138	1.2
58.00571	1.7
59.01382	66.3
69.03455	1.4
69.06362	9.9
69.06776	2.7
71.01388	100.0
71.19548	1.2
72.01726	1.4
72.99296	4.1
73.02956	31.3
83.01395	22.5
85.02962	49.8
86.00111	1.5
87.00874	4.7
89.02454	26.1
90.94610	1.5
95.01397	8.4
96.21479	1.1
97.02950	4.2
98.22536	2.7
99.00898	12.9
101.02452	96.3
102.02793	1.8
109.02987	2.3
110.03316	1.2
113.02464	46.8
114.02856	1.3
119.03484	8.4
125.02459	4.4
131.03464	1.9
135.39285	1.2
143.03510	5.6
159.02983	11.4
161.04567	44.9
162.04901	1.9
177.01949	2.9
178.02252	1.7
179.02422	1.4
179.05621	2.3
189.01953	4.2
190.02293	5.6
191.02310	1.4
204.18358	1.3
205.03740	1.5
217.01263	2.2
218.01802	2.9
218.20471	1.1
219.01991	2.6
219.36261	1.2
221.06610	2.1
291.18158	63.8
292.18369	3.9
303.54611	1.2
341.06689	1.8
342.07022	5.5
343.07190	13.3
417.88852	1.2
453.10599	4.1
453.23444	76.3
454.23816	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3014
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
51.58182	0.2
57.03230	0.2
57.03456	2.4
57.19658	0.2
59.01371	0.5
59.98524	2.0
61.98819	0.2
67.05505	0.5
69.04962	0.5
69.05382	0.9
83.05031	1.6
91.05543	0.5
93.07150	0.2
95.05013	0.2
98.21793	0.3
99.04530	0.5
111.04538	0.9
118.20734	0.2
120.20655	0.2
125.06093	0.3
131.08670	0.7
133.10262	0.5
137.06104	0.5
138.06882	13.9
139.07599	0.8
145.06638	0.2
153.05580	0.6
171.11819	0.7
173.13356	0.2
176.09738	0.2
239.18076	1.9
240.18259	0.3
317.22760	0.2
329.22629	0.2
331.24536	0.3
333.25925	4.4
334.26135	0.4
347.23892	0.4
351.26962	1.1
352.27393	0.2
365.24857	0.3
377.24869	46.3
378.25232	5.5
391.30383	0.2
395.25955	4.9
396.26352	0.6
453.30112	100.0
454.30472	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3008
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
51.42098	0.2
52.33052	0.2
52.44451	0.2
57.03440	0.4
59.01373	0.3
59.98525	1.5
64.04514	0.2
67.05559	0.2
69.03462	2.9
69.08377	1.5
70.79887	0.2
71.05022	2.2
73.02948	0.8
79.76942	0.2
80.66747	0.2
81.03465	1.9
83.01395	0.3
83.05033	1.3
84.02177	0.5
85.02950	0.3
93.03475	0.3
95.05108	0.3
97.02959	4.0
97.06564	0.2
98.03748	4.5
98.22623	0.4
99.04530	5.7
109.06606	0.8
109.10235	3.1
111.04516	0.8
126.03224	0.3
132.06302	0.2
137.06088	1.1
138.06883	4.4
139.07643	0.8
147.08142	0.2
149.09752	0.2
153.05580	0.4
153.09138	0.2
159.08174	0.4
160.84464	0.2
161.09721	0.6
175.11311	0.2
201.16600	0.2
205.12418	1.1
215.14429	0.2
231.13882	0.3
243.17494	0.3
247.28606	0.2
255.17487	0.4
269.19016	0.3
271.20670	2.4
281.19046	0.8
283.16913	0.3
297.18506	0.6
297.21872	0.2
299.20175	22.1
300.20544	2.0
325.18103	0.3
337.14462	0.2
343.19141	6.5
344.19473	0.6
351.27023	0.4
373.29111	0.6
391.30038	1.8
392.30383	0.3
409.31238	1.4
435.29068	1.4
453.30115	100.0
454.30478	14.5
454.35385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.6
61.98798	1.1
69.15015	4.5
72.99025	0.7
73.41079	0.7
73.57101	0.7
73.66206	0.7
74.67928	0.7
80.04453	0.6
85.02920	0.7
89.45190	0.6
95.67588	0.7
98.17958	0.6
99.04536	4.4
107.83703	0.6
111.04508	1.6
114.68861	0.7
173.13327	1.8
250.86526	0.6
266.02271	0.9
281.04532	1.1
281.24377	0.7
283.20566	3.6
296.06998	1.3
311.09363	1.6
333.25992	4.5
377.24933	1.8
395.25919	5.2
453.30096	100.0
454.30441	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3012
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
50.18282	0.4
57.03452	0.5
60.70850	0.4
61.16497	0.4
69.03478	0.6
70.19476	1.0
71.05016	0.8
83.05022	0.5
99.04564	0.6
111.63097	0.4
124.06104	0.4
125.87328	2.0
139.07661	100.0
140.08008	3.3
150.99481	0.4
153.90518	0.5
157.86320	2.6
160.56291	0.5
160.84233	2.9
168.04797	0.4
197.89505	1.0
418.04144	1.7
428.48196	0.5
453.30099	24.1
454.30576	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51935	0.5
57.03444	1.5
59.01344	0.4
69.03442	0.4
71.32253	0.7
73.02940	0.6
77.47301	0.4
82.62403	0.4
83.05051	1.2
87.00877	2.4
93.07107	0.5
97.02962	0.5
97.06583	0.7
99.04518	0.6
111.04502	0.8
119.08712	1.1
129.02318	0.4
138.06871	1.3
139.07642	0.8
213.16576	1.2
215.14282	0.5
240.70267	0.4
317.22717	4.2
333.25870	5.3
335.23904	0.5
345.47855	0.5
351.27023	1.4
377.24744	1.0
395.25989	4.0
396.26288	0.8
418.64368	0.6
440.74896	0.5
453.30124	100.0
454.24063	0.7
454.30502	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.2
58.98788	1.6
59.01360	2.9
61.98831	11.8
66.21855	1.3
69.05396	7.4
69.05814	6.8
83.05016	1.8
87.00887	1.9
97.02919	2.3
99.04505	5.1
118.79806	1.4
124.05212	1.6
137.02362	1.3
139.07675	6.8
145.74454	1.4
154.06297	1.8
256.09714	1.8
347.23828	4.0
360.17810	1.8
365.24881	9.4
391.22998	7.6
395.25635	2.1
409.23987	7.9
423.29114	12.7
424.29272	2.3
435.28632	1.8
453.22879	15.8
453.29965	100.0
454.23645	3.0
454.30228	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
68.01943	7.1
70.74108	10.7
70.74439	11.2
71.59822	6.4
179.87363	7.5
191.37025	6.5
214.08653	7.2
243.94559	7.9
323.32230	8.6
347.33029	13.0
365.34222	100.0
366.34436	11.2
409.33347	61.2
453.33597	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3368
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
53.85603	0.2
55.84389	0.3
69.18801	0.4
69.19199	2.2
85.06594	1.4
97.06610	0.8
98.22626	0.3
116.58262	0.3
119.91444	0.3
122.15800	0.3
308.87286	0.3
365.28662	0.3
377.25116	0.4
453.33798	100.0
454.34097	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3377
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
55.11260	0.2
71.19720	0.4
78.44193	0.2
78.97102	0.2
84.40172	0.2
85.06584	1.1
91.36774	0.2
97.06601	0.6
109.85860	0.2
209.55153	0.2
245.43822	0.2
251.13206	0.2
262.08160	0.2
393.31741	0.2
453.33759	100.0
454.34125	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86165	0.2
71.19681	0.4
79.34561	0.2
85.06586	0.3
97.06593	0.9
101.59399	0.2
109.66972	0.2
119.95088	0.2
137.11771	0.2
235.55623	0.2
248.03198	0.3
308.01071	0.3
361.25406	0.3
365.28540	0.2
377.28488	0.8
393.31335	1.1
401.46500	0.3
409.47885	0.2
453.33752	100.0
454.34116	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
70.63605	0.7
70.63914	0.7
86.65296	0.5
118.76340	0.4
133.71126	0.5
199.48579	0.6
364.42020	0.5
410.24161	0.5
453.33749	100.0
454.34088	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3378
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
64.76450	0.3
70.47013	0.7
70.47360	0.2
74.58418	0.3
105.30094	0.3
118.02187	0.3
187.81000	0.2
348.79730	0.2
435.32822	0.5
453.33749	100.0
454.34085	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14898	3.6
59.01381	29.5
61.19448	3.3
61.98837	100.0
67.86186	3.1
71.01387	38.2
71.29470	4.1
73.02941	6.9
79.95735	5.7
83.01383	10.3
85.02953	15.1
85.05820	3.0
89.02478	16.7
93.03463	10.9
95.01431	4.1
96.96026	32.8
101.02441	20.4
109.02942	4.6
113.02492	15.3
119.03513	7.7
125.02473	11.4
136.04039	13.4
137.02470	23.5
149.09743	3.8
151.04031	4.2
161.04570	23.1
177.02014	3.3
179.83849	3.8
204.89774	4.0
229.05060	13.6
231.14006	8.7
249.15288	5.5
256.09845	46.8
257.10034	4.7
289.07248	6.8
322.12933	8.9
391.10751	4.4
395.19043	4.6
411.20209	72.5
455.10141	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07127	4.1
59.01384	25.1
61.98835	100.0
65.63756	3.6
66.06837	3.8
71.01394	31.9
72.03183	3.5
73.02939	4.9
76.20038	4.3
79.95737	4.2
83.01399	6.8
85.02944	9.0
89.02438	13.2
96.96035	28.7
99.00951	4.3
101.02431	19.8
113.02455	13.7
113.28442	3.9
119.03509	5.9
125.02398	7.6
131.03572	7.1
136.04019	10.4
137.02486	23.1
146.08992	4.4
146.48534	4.4
149.09727	6.2
161.04568	18.1
229.05037	10.9
231.13933	5.7
249.15298	4.9
250.52306	4.2
256.09821	46.2
273.38931	4.0
322.12997	10.4
335.82535	4.0
411.20212	50.3
412.20551	6.1
454.20074	14.1
454.78293	4.2
455.10098	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	45.9
61.98825	10.4
70.74653	7.0
71.01411	7.5
84.00916	10.9
88.91530	8.2
89.02444	13.6
97.02967	13.7
98.21786	13.1
109.02942	18.7
110.03344	9.1
113.02493	7.9
123.04539	17.4
125.02456	10.8
127.52193	7.2
149.02435	13.5
152.22504	7.6
161.06085	7.5
165.01862	9.8
168.82767	8.2
177.05708	10.6
198.41579	9.9
203.07150	11.3
204.07390	11.0
205.05057	10.9
216.83711	8.8
246.08586	12.4
249.14949	100.0
289.07166	64.5
290.07544	81.6
308.43530	8.6
330.28140	8.2
455.17197	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15678	10.6
59.01389	57.4
64.88666	10.7
69.19312	84.7
71.01387	27.3
81.64867	10.9
84.00935	10.1
85.02953	15.0
89.02444	25.9
98.21873	16.2
98.22514	24.0
101.02464	24.2
103.61668	9.4
113.02496	12.7
126.55767	10.1
127.16418	11.6
135.04613	13.5
140.04333	10.2
191.05591	15.0
225.09409	11.6
235.81697	10.2
249.14990	100.0
250.15282	12.9
269.08069	18.6
274.34216	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98846	14.7
67.83752	11.4
70.92873	27.1
71.01382	23.5
79.04414	11.9
89.02470	21.7
96.24496	11.3
97.84261	10.3
111.68132	11.9
249.15004	25.7
278.65887	12.0
454.23801	15.2
455.17056	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	4.4
57.41077	4.4
59.01382	67.3
61.00022	4.1
66.22223	4.0
67.65098	4.2
69.19585	39.3
71.01393	35.1
71.79704	4.1
84.00924	4.7
85.02961	14.4
89.02454	57.4
98.21796	9.4
98.22450	10.4
101.02471	20.1
113.02455	28.1
118.90975	4.0
119.03537	25.3
137.35419	4.3
147.08095	4.1
161.04529	10.0
173.13402	8.7
179.05666	30.0
188.72194	4.4
189.12848	9.4
237.15002	7.6
249.14963	100.0
250.15340	7.8
268.07416	10.8
269.07986	5.5
273.10611	4.6
274.58304	4.4
291.16071	36.8
321.17108	6.8
411.20493	9.0
455.16855	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	39.6
72.57678	10.0
84.00904	14.6
85.02977	15.3
87.22804	12.7
96.79838	11.4
98.22322	70.6
113.02470	15.7
210.40388	10.9
211.45415	10.7
228.90007	14.8
249.15004	100.0
454.23093	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23928	0.4
54.29962	0.5
55.22753	0.4
58.90298	0.4
59.01376	5.8
61.98833	100.0
68.46062	0.4
71.01391	3.2
71.30946	0.5
71.31313	0.5
72.01740	0.6
73.02953	1.6
75.70769	0.4
83.01404	0.7
85.02965	1.2
89.02462	2.9
90.02738	0.6
96.96013	0.4
99.00906	2.8
100.01243	0.5
101.02470	2.0
108.47595	0.4
113.02491	1.5
115.07676	1.2
119.03550	0.6
119.05095	0.5
123.17839	0.5
125.02454	0.6
129.39493	0.5
131.03493	0.9
149.04652	0.9
151.04103	0.5
161.04625	0.5
162.78876	0.5
191.05692	0.4
215.07266	0.4
219.24840	0.5
292.03204	1.5
313.88422	0.5
373.05667	1.0
394.24448	0.9
454.14032	0.8
454.20322	7.4
454.27145	1.9
455.10333	0.6
455.20200	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52942	1.6
61.98832	100.0
63.77356	1.7
63.85834	2.0
71.30939	2.9
71.31289	2.2
84.05021	1.7
378.88327	2.1
424.29245	2.3
454.30453	5.0
455.35202	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
71.01382	91.3
71.24204	35.0
73.02946	24.3
81.03423	21.4
81.11470	17.8
85.02959	40.5
89.02447	58.3
96.95988	31.2
101.02456	53.9
113.02439	31.6
115.92110	29.9
125.02444	78.9
161.04510	24.7
167.03561	23.5
232.44307	20.4
263.11353	71.7
274.14505	17.6
358.77328	19.2
395.15552	33.3
455.09991	29.9
455.17593	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73514	0.5
57.03458	1.1
59.01378	12.6
61.98838	2.1
69.58418	2.8
71.01385	2.6
79.95742	100.0
80.96519	0.6
89.02447	1.6
92.04967	0.6
95.95238	21.6
96.96015	36.3
101.02454	1.4
109.96828	1.9
110.97588	27.8
124.95518	0.7
136.99152	2.6
137.02455	1.3
141.95787	17.2
151.00731	0.7
152.65901	0.5
152.98656	1.6
161.04523	0.6
164.28128	0.6
165.02199	0.5
247.13403	1.1
273.07632	0.8
412.20721	0.9
455.13779	80.7
456.14108	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20189	1.7
57.03451	63.2
59.01381	49.0
61.98830	2.1
69.32398	14.1
71.01385	36.9
73.02947	20.3
76.03090	1.7
78.95929	2.8
79.05520	2.4
81.03467	3.5
82.33363	1.6
83.01396	6.4
83.05061	2.8
85.02960	9.7
87.67474	1.8
89.02452	49.8
93.03470	4.6
94.03831	1.9
95.01369	2.5
98.21877	3.0
98.22520	3.6
99.00892	38.1
99.04525	53.7
100.04932	2.1
101.02460	35.6
113.02454	23.7
117.00428	3.1
119.03507	2.4
123.04569	11.7
125.02458	19.9
131.03525	12.8
137.02518	1.8
141.05591	5.1
143.03534	9.8
149.04578	46.5
151.03926	2.2
153.02103	1.9
155.03535	2.0
160.64104	1.8
161.04564	100.0
162.04869	2.7
163.04073	2.2
170.97850	5.4
170.99748	3.1
173.04599	5.0
177.00458	1.8
177.02306	1.7
191.05598	16.5
203.05624	11.1
233.06648	15.6
263.07773	21.9
266.89230	1.7
289.03763	1.7
293.05640	1.8
293.08792	9.0
329.09467	2.0
337.09549	2.5
342.38699	1.8
365.05383	2.4
413.08063	4.4
437.13004	13.1
455.08701	2.3
455.14020	37.3
456.14142	3.7
456.43973	2.2
470.29526	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.7
59.01383	100.0
60.01712	1.0
61.19772	0.8
61.38665	0.8
63.40718	0.8
71.01377	2.6
71.28210	1.1
78.95905	2.2
85.02932	1.3
89.02451	5.1
94.45996	0.8
96.96001	1.9
99.04552	0.8
101.02451	7.5
113.02442	2.0
113.58704	0.9
119.03527	7.2
125.02477	1.8
141.36133	0.8
152.99593	1.7
161.02507	0.9
163.00378	6.9
178.73869	0.8
188.87743	0.8
203.76566	0.8
209.11896	4.9
245.08391	1.0
273.07944	1.3
275.09293	5.1
281.08316	0.9
287.09335	1.6
299.09326	2.8
351.63028	0.9
406.46265	0.8
455.16754	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
59.01387	2.5
61.98832	2.8
71.01395	1.4
74.28752	0.8
78.95912	27.3
80.02680	2.5
81.03480	2.4
83.01414	0.9
83.05031	9.1
84.02148	3.6
85.02930	0.8
93.03477	0.7
95.05021	1.4
96.96980	2.5
97.06603	0.8
98.21741	1.5
101.02448	0.9
109.06625	0.8
113.02438	1.1
119.05033	0.7
121.02935	1.0
125.02496	1.1
125.06078	1.3
135.08197	0.9
149.02486	0.7
152.99600	42.6
161.04620	0.8
163.00403	3.6
163.11317	7.9
165.12859	4.7
167.39014	0.6
171.00673	3.4
181.12370	1.8
191.05644	0.9
191.10780	2.0
209.11850	100.0
210.12183	5.6
227.03255	3.9
227.12932	13.6
245.04433	1.5
249.92145	0.7
263.15073	1.0
341.08783	2.3
363.12228	2.8
381.13284	0.9
455.16891	73.8
456.17261	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1694
Annotation	Kushenol G
Peak:m/z	Relative Intensity
51.72173	0.6
59.01386	3.5
61.98824	1.2
69.08491	5.1
71.01376	1.6
71.05034	0.6
74.28769	0.6
78.95913	31.1
80.02675	2.8
81.03469	2.4
83.05030	10.3
84.02174	2.8
85.02962	1.2
87.00863	0.7
89.02414	1.2
93.03407	0.8
95.05034	0.8
96.96973	2.4
109.02921	0.7
109.06631	0.7
124.33770	0.6
125.06110	0.7
135.08218	1.3
149.06163	0.9
150.98059	0.9
152.99603	43.9
153.99944	0.8
163.11285	8.1
165.12877	4.1
171.00684	3.0
181.12326	1.3
189.99744	0.6
191.05637	1.0
191.10822	1.5
209.11844	100.0
210.12166	5.6
227.03307	4.2
227.12921	11.6
230.27110	0.7
245.04286	1.9
263.14932	1.4
285.00204	0.7
363.11917	3.0
381.13620	0.8
413.22171	0.8
455.16910	60.0
456.17303	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16079	2.5
59.01092	4.2
59.01383	68.5
69.03462	3.6
69.74385	5.6
69.74800	11.0
71.01388	48.3
73.02951	5.7
78.95914	6.0
85.02960	8.2
89.02452	61.4
93.03461	3.7
95.58909	3.2
96.96980	6.3
99.00906	5.5
101.02450	18.4
101.06084	100.0
102.06434	4.0
113.02480	8.9
119.03523	4.4
120.99630	3.6
125.02439	23.2
131.03500	25.6
134.08148	3.0
137.59489	3.1
149.04533	18.9
161.04613	5.0
185.17972	3.2
191.05479	6.2
192.79572	2.9
203.50446	2.8
251.09450	4.1
293.08740	23.8
298.46515	2.8
385.43469	2.9
395.15573	3.3
455.10043	5.0
455.16342	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	31.1
59.01384	11.6
61.98831	4.0
65.02770	0.5
70.09141	0.5
70.44246	1.7
71.01393	4.2
73.02950	0.8
81.03445	0.9
81.04261	0.5
83.01357	0.7
83.46230	0.5
85.02961	1.3
93.80843	0.6
99.04532	23.8
101.02446	8.7
110.09018	0.5
113.02469	1.6
123.00987	0.7
125.02460	11.1
133.33035	0.7
143.03508	0.9
149.09738	100.0
150.10098	4.7
150.73074	0.6
161.04590	3.6
162.03094	0.5
243.08791	0.7
251.16539	1.2
311.15103	0.8
353.16058	1.1
369.60516	0.7
426.54282	0.6
455.20038	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29877	1.6
50.98764	1.5
61.98837	3.0
67.44767	1.4
78.95910	6.3
99.04545	3.9
123.31226	1.7
132.42491	1.5
152.99550	9.1
160.84232	3.4
162.83965	12.1
174.52997	1.4
179.96706	1.6
203.74355	1.7
227.03317	2.8
227.20175	89.4
228.20523	4.3
236.09389	1.8
283.09805	2.6
310.08542	5.6
311.09283	100.0
312.09637	9.0
325.10822	5.3
326.11606	55.0
327.12076	5.3
341.13947	74.8
341.18167	2.9
342.14322	9.2
358.14157	13.0
359.14612	2.2
373.16577	53.1
374.17032	6.3
420.07721	2.9
455.24451	14.0
456.24503	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2082
Annotation	Antiarone J
Peak:m/z	Relative Intensity
59.01371	3.4
70.88272	3.5
71.05052	1.6
73.02930	2.2
77.12797	1.7
99.04544	1.9
100.52483	1.5
105.80893	1.6
109.02972	3.2
122.03763	3.6
123.04490	2.0
125.02399	1.6
132.73573	1.6
135.04488	2.2
137.02448	2.7
138.03270	2.1
145.72429	1.7
147.04504	3.4
148.05289	1.8
149.02417	1.8
149.06017	4.4
160.82510	1.5
161.02470	6.6
162.03203	17.3
163.04071	3.8
173.02376	2.0
173.06081	3.6
174.03258	2.6
175.00386	7.4
175.03986	5.5
176.01131	11.5
176.04770	2.4
177.01938	5.0
177.05652	2.4
183.15161	1.7
187.04018	2.2
188.04785	3.8
189.01952	15.0
189.05533	9.3
190.02730	36.1
191.03505	24.4
191.07097	4.2
192.00708	1.6
201.05525	4.2
202.06255	3.2
203.03549	15.2
203.07147	4.5
204.04276	13.7
205.05028	7.6
205.08835	1.7
206.05812	2.7
217.05072	10.9
217.08771	2.8
218.02271	2.2
218.05849	4.8
219.06651	8.0
229.05013	5.2
229.08762	2.3
231.02951	1.8
231.06654	4.7
233.04544	12.1
234.05019	2.2
245.08171	6.0
246.09077	1.9
247.06116	18.9
247.09802	2.0
248.06842	5.5
262.08508	9.8
275.09299	3.6
275.13043	2.5
303.12375	3.5
325.14297	2.1
330.14923	2.1
340.13101	2.2
355.15634	2.9
366.14709	2.4
368.12711	5.5
369.13550	7.2
369.17355	1.9
370.13928	1.7
381.17355	2.8
382.14349	5.0
383.14999	43.2
384.15714	13.0
394.17691	1.8
395.18518	1.9
397.16592	6.2
399.18051	3.8
409.20444	3.9
411.22162	1.9
412.19000	3.0
423.18109	4.7
437.19925	2.9
440.18439	21.0
455.20758	100.0
456.21140	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.208
Annotation	berkeleydione
Peak:m/z	Relative Intensity
53.68818	1.2
59.01367	4.3
61.36464	1.4
66.28671	1.4
71.32333	1.7
85.98906	1.4
109.02921	1.9
122.03748	2.0
124.01722	2.0
125.02477	2.3
135.04465	2.6
137.02417	2.9
139.04002	2.8
145.02946	2.3
149.06091	2.4
153.05557	3.7
161.02477	6.5
161.06032	1.8
162.02005	1.8
162.03253	24.8
163.03893	4.2
165.05547	2.0
169.65846	1.6
173.02371	2.5
173.06076	4.0
174.03336	2.6
175.00340	6.1
175.03961	4.2
176.01221	10.4
176.04683	2.3
177.01825	2.5
182.60764	1.4
188.04939	1.5
189.01955	7.2
189.05501	4.2
190.02728	42.3
190.06207	2.4
191.03497	22.2
191.07123	4.8
192.00679	4.2
192.04013	1.4
201.05501	4.0
203.03471	14.2
203.06966	2.3
204.04266	9.6
205.05103	10.0
206.05736	3.4
217.05119	9.7
218.02240	1.7
218.05756	6.2
219.06631	7.4
219.10457	1.6
228.32147	1.5
229.05072	2.2
231.06686	2.0
232.07274	1.9
233.04514	16.7
234.05284	1.8
245.08040	4.8
247.06133	18.2
247.09711	4.2
248.06676	4.2
262.08432	10.0
275.09174	4.3
275.12772	2.1
330.14636	2.7
332.21085	1.5
340.13452	1.9
345.45367	1.3
355.15381	5.1
368.12726	9.0
369.13281	10.6
370.13815	1.5
381.17212	3.5
383.15021	63.1
384.15506	10.2
395.22348	1.6
396.18573	1.7
399.17932	3.4
411.21698	3.1
423.18350	2.4
427.21185	3.8
437.19696	2.1
440.18484	28.6
441.18384	2.8
455.20639	100.0
455.30817	4.6
456.21030	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.8
57.03444	2.4
59.01384	81.7
60.33293	1.3
61.98824	2.2
71.01391	25.8
73.02956	12.5
78.95919	3.3
83.01395	7.2
85.02967	18.8
87.00908	2.2
89.02459	3.3
95.01432	2.0
98.22533	3.8
99.00895	5.5
101.02449	35.6
101.03120	1.8
102.02817	1.5
113.02464	11.9
125.02463	2.3
129.01939	1.7
131.03514	50.1
131.31433	1.3
139.77002	1.3
143.03569	1.3
152.99580	5.0
159.03043	1.7
161.04572	11.1
205.15402	1.6
205.17513	1.8
209.11809	9.5
227.12914	2.5
263.15015	100.0
264.15277	7.8
307.14145	1.7
307.35205	1.3
395.19339	14.2
455.16818	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.1
55.91486	2.0
57.03452	2.4
59.01382	62.4
60.93344	1.7
62.56046	1.9
69.63997	10.7
71.01390	30.7
73.02950	16.4
83.01404	12.8
85.02959	21.7
89.02440	2.7
95.01458	2.0
99.00899	4.7
99.71865	2.3
101.02451	44.1
101.03117	2.1
103.04033	3.4
113.02466	17.0
119.03474	3.3
125.02417	2.9
130.93770	2.1
135.14014	1.9
143.03546	1.8
145.08763	3.2
159.02919	2.2
161.04539	12.4
163.06227	2.3
164.72221	2.0
249.13467	85.0
250.13840	5.5
395.19238	100.0
396.19733	9.7
455.20282	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82970	2.1
55.01876	3.9
59.01386	71.2
60.39338	2.2
61.98830	3.6
69.03462	2.2
69.07438	20.8
71.01385	31.3
73.02959	18.1
83.01395	13.3
85.02962	18.7
87.00913	3.0
89.02440	2.6
93.01941	2.1
96.74492	2.0
96.95999	2.7
97.26419	2.2
99.00876	8.1
101.02463	49.2
108.15314	2.0
109.02995	2.4
113.02457	18.4
114.19353	2.4
120.04041	2.4
125.02434	2.7
143.03488	3.0
159.03061	2.6
161.04565	14.0
163.06081	2.1
166.11206	2.1
188.80519	2.1
190.26622	2.6
249.13457	87.2
250.13803	3.6
332.72681	2.2
395.19263	100.0
396.19577	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.4
57.03447	2.5
59.01381	84.4
61.98838	1.4
65.97750	0.9
69.10108	8.8
71.01387	25.5
72.99300	1.9
73.02952	13.2
78.95879	1.7
81.26360	0.9
83.01381	6.9
85.02956	17.3
86.00140	1.2
87.00877	2.8
89.02458	3.6
95.01369	1.9
99.00890	6.1
101.02448	40.5
113.02481	11.6
119.03539	1.0
125.02410	1.0
129.01910	1.0
131.03510	46.6
132.03821	1.2
143.03578	2.4
152.99641	2.5
158.39639	0.9
159.03004	2.7
161.04550	12.7
175.34615	0.9
209.11903	7.4
223.02760	0.9
227.12845	0.9
244.30000	1.0
249.07784	0.9
253.92171	1.0
263.15002	100.0
264.15424	6.2
276.95184	1.0
307.14209	1.2
395.19211	16.3
395.24011	0.7
396.19687	1.7
447.53662	1.0
455.16776	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.5
57.03428	3.7
59.01385	56.0
63.16511	1.0
69.03468	1.8
69.43491	1.1
71.01392	28.4
71.31989	0.9
71.32347	1.7
72.99311	1.3
73.02950	11.3
83.01391	4.5
85.02956	14.8
87.00868	2.4
89.02444	6.1
95.01390	2.8
99.00858	3.0
99.04517	3.2
101.02457	17.7
113.02448	10.8
119.03532	1.2
139.07657	8.1
145.02829	1.1
154.59862	1.0
161.04547	3.5
171.10287	3.6
209.11824	2.3
233.15475	1.7
235.17030	19.2
236.17380	1.2
251.16527	6.2
348.86057	1.1
395.20630	9.1
395.31912	1.1
413.21835	24.1
414.22083	2.5
455.22879	100.0
456.23343	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01704	0.8
61.98810	0.8
69.61582	3.3
71.01382	2.0
76.42818	0.7
89.02483	1.6
93.84639	0.7
98.22525	0.8
101.02456	1.0
110.90788	0.6
113.02452	3.3
119.03542	1.1
124.98170	0.6
161.04510	1.7
169.42165	0.6
171.10265	1.1
172.62575	0.7
190.02786	0.8
191.03651	0.8
199.74724	0.6
233.15477	96.8
234.15887	5.0
247.17206	0.7
275.16559	1.9
311.24805	0.6
375.80673	0.7
383.14935	1.2
395.20874	1.2
411.25549	1.0
455.20358	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.242
Annotation	Unknow
Peak:m/z	Relative Intensity
61.52660	0.4
69.08930	1.1
69.09352	2.0
78.95911	7.3
87.13372	0.3
87.56110	0.3
93.32885	0.3
96.96985	0.4
122.21235	0.4
139.04007	0.8
142.03008	0.3
152.99603	14.5
161.42749	0.4
171.00626	0.5
181.12341	0.8
199.13391	0.6
227.03322	3.2
227.20181	100.0
228.20520	6.4
245.04335	1.3
279.30429	0.4
455.24207	19.2
455.31055	1.2
456.24564	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2657
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
55.01865	1.0
57.03438	1.6
58.00594	2.4
59.01385	50.3
69.12560	1.8
69.12959	6.2
71.01385	28.5
72.99297	3.4
73.02953	2.1
83.01398	2.2
85.02962	9.0
87.00900	1.4
89.02451	24.1
94.69127	0.8
95.01368	2.4
99.00872	1.2
101.02448	17.3
109.02864	1.0
112.64765	0.7
113.02464	10.5
114.41679	0.8
117.16615	0.8
119.03510	10.5
127.19599	0.8
139.07715	1.7
161.04509	1.0
179.05717	0.9
183.10252	3.0
185.11589	0.8
209.11952	1.5
234.70682	1.2
275.20209	10.0
276.20612	1.1
277.21667	6.4
293.21210	5.1
414.06949	1.0
455.26514	100.0
456.26797	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89691	2.5
59.65401	2.2
63.96233	7.4
66.40346	2.8
68.99818	8.0
70.64207	7.3
79.95741	3.2
81.03468	10.9
90.70428	2.4
91.05527	9.9
93.03456	2.7
93.07114	2.6
95.01421	14.5
95.05035	9.5
107.05056	15.6
108.02173	4.1
109.02939	5.6
109.06616	2.9
117.04975	2.4
119.05022	23.6
121.02964	6.9
121.06616	9.5
122.03753	7.0
123.04530	4.5
126.45631	2.5
133.06621	10.9
135.04541	100.0
135.39810	2.7
136.04861	3.4
137.06088	34.8
147.04579	17.6
148.28725	2.6
150.06874	4.1
163.04042	6.1
179.01720	8.6
180.02486	9.7
181.03201	3.7
182.05856	9.7
182.26212	2.5
212.01448	16.8
293.15851	10.1
294.16559	25.6
326.15631	70.1
327.15805	4.2
331.52676	2.4
452.68143	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3171
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
50.55134	3.5
66.04165	3.6
71.31554	5.8
85.02975	9.2
95.13940	4.1
117.59560	3.8
125.50835	3.5
182.35097	3.6
194.72440	3.9
231.02403	3.9
370.38425	4.4
455.31308	100.0
456.31958	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3173
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
57.03435	5.5
68.93309	1.6
69.03448	6.1
71.05016	6.3
85.71001	1.7
97.06590	5.2
98.22633	2.7
161.75333	1.4
162.79008	2.0
165.95998	1.5
173.68358	1.6
393.31726	2.2
395.29620	2.8
411.32800	14.3
412.33096	2.3
455.31680	100.0
456.32025	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.317
Annotation	Phorbasterone A
Peak:m/z	Relative Intensity
57.03453	4.9
59.01393	0.3
59.98513	0.9
67.05525	0.3
67.30615	0.2
69.03445	1.0
69.03791	0.2
69.07367	2.6
83.05029	0.6
98.21729	0.5
99.04524	2.3
111.04533	0.4
118.72049	0.2
137.06177	0.2
138.06888	9.0
139.07486	0.2
140.77963	0.3
153.05609	0.6
153.12846	2.3
175.11296	0.5
191.14392	1.4
201.91960	0.3
241.16040	1.3
243.17542	1.1
257.19144	0.7
259.20731	0.9
269.19031	1.5
295.20187	0.3
337.25208	1.5
347.24408	0.3
353.28497	14.0
354.28912	1.2
379.26013	0.4
397.27499	12.6
398.27811	1.5
409.94730	0.3
455.31689	100.0
456.32016	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3535
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
70.22467	0.9
77.10539	0.8
92.24545	0.9
98.22620	1.8
208.44612	0.8
219.59895	0.9
228.82405	1.0
255.60263	0.9
455.35342	100.0
456.35648	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3534
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
55.84696	0.3
75.27364	0.3
93.74766	0.3
94.00210	0.2
107.05038	0.3
109.06585	0.8
129.32005	0.3
150.80804	0.3
154.96725	0.3
224.95738	0.3
273.93811	0.3
368.18713	0.4
411.32654	1.1
455.35333	100.0
456.35660	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98113	1.0
63.99390	0.9
65.23732	1.0
71.31076	0.9
72.99322	2.0
98.22535	2.8
239.89716	1.0
393.33719	1.3
437.32907	1.8
455.35388	100.0
456.35620	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.1
60.58612	0.5
69.11900	2.5
69.12324	1.5
69.49096	0.5
115.92107	1.7
118.54409	0.4
186.77045	0.5
290.13498	0.5
370.05069	0.5
424.48483	0.6
437.34167	0.6
455.35349	100.0
456.35675	15.9
473.95447	0.6
475.61212	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82470	2.9
70.14321	12.0
80.88577	3.1
100.36565	3.0
112.17104	3.4
138.41109	3.5
238.63017	3.2
455.35342	100.0
456.35672	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17419	0.3
58.02941	0.3
59.00532	0.3
59.01379	0.5
66.26270	0.3
67.43672	0.3
71.19945	0.7
76.48266	0.3
84.42780	0.3
93.06862	0.3
93.39807	0.3
105.27269	0.3
122.44295	0.3
158.01129	0.3
210.64027	0.3
256.61017	0.3
271.16003	0.3
369.31509	0.4
437.34253	0.4
455.35358	100.0
456.35672	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75841	1.0
70.45776	1.0
70.46120	2.3
72.59797	0.8
91.36676	0.9
128.03925	1.1
163.00493	0.8
163.76019	0.9
169.90218	1.2
296.86249	0.9
452.87180	1.2
455.35336	100.0
456.35568	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84169	2.2
54.47556	2.1
66.28063	1.9
68.26756	2.4
70.76740	2.0
71.30547	3.2
75.03441	2.1
77.33641	2.0
84.35786	2.5
92.69942	2.3
103.48908	2.5
114.08674	2.6
233.38390	2.2
263.02203	2.8
309.10376	2.7
342.71732	2.4
377.16211	2.7
406.91373	2.3
455.35333	100.0
456.35721	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57412	5.1
55.89308	6.0
59.01382	100.0
70.70470	5.1
71.01377	20.3
73.02939	6.1
84.00928	8.5
89.02433	14.1
98.22178	37.2
101.02454	14.0
113.02441	16.2
135.47766	5.7
143.03540	5.7
163.87343	5.9
171.75391	6.4
188.95094	5.7
251.16512	61.9
252.16695	6.0
255.47954	6.1
413.20972	10.0
457.18817	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.9
59.01383	22.9
61.98820	2.8
69.20145	1.6
70.41595	1.5
71.01380	11.5
71.28561	2.0
85.02958	2.1
85.72105	1.4
89.02450	17.1
96.96021	3.1
101.02440	7.4
104.42577	1.8
111.34831	1.7
113.02464	5.4
119.03514	7.7
125.02493	3.3
132.87704	1.5
137.02448	3.0
149.06091	100.0
151.04008	3.9
158.04776	1.7
161.04570	3.6
179.05603	7.1
235.13393	3.2
413.21860	10.2
457.11908	2.2
457.18021	3.9
482.05991	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99647	4.0
55.64570	4.7
57.03443	7.6
59.01136	4.9
59.01387	53.7
61.98849	4.1
62.23901	4.0
63.25755	3.7
69.12893	8.7
69.13307	18.8
71.01386	48.3
73.02952	13.7
83.01398	4.7
85.02962	16.2
89.02445	30.9
101.02459	29.6
113.02454	26.8
117.03503	19.3
119.03545	7.3
119.05016	11.5
125.02431	4.6
135.39981	4.3
145.02965	100.0
148.87601	3.9
161.04570	42.7
163.03996	8.4
163.07643	9.0
179.05664	4.4
185.42238	3.9
215.45512	3.9
251.16383	18.5
307.08185	25.1
376.17209	4.8
413.21866	69.3
414.22131	4.2
421.11530	54.5
448.46680	5.9
475.53171	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.1
58.31473	2.6
59.01376	4.8
69.32548	21.3
75.52380	2.5
96.25218	2.9
96.25791	2.8
98.22514	3.6
99.04520	5.5
113.02496	2.9
162.96407	2.9
166.37444	2.8
171.81612	3.0
179.14442	3.4
219.41423	2.8
251.16550	100.0
252.16780	5.0
274.35623	2.6
399.58740	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03428	1.0
58.00596	4.6
59.01382	84.9
67.01878	0.9
69.03468	4.5
69.13834	6.2
70.02975	5.0
71.01387	83.3
71.05020	7.0
72.01742	1.2
72.99324	4.0
73.02961	6.6
81.03450	3.7
83.01388	3.9
85.02954	10.0
87.00887	4.5
87.05653	2.0
89.02453	100.0
89.05747	0.8
90.02790	1.4
93.03499	0.7
95.01396	2.2
97.02961	7.5
99.00898	1.0
99.04524	2.4
101.02453	18.4
111.00878	4.0
113.02456	11.3
115.03992	1.2
116.07185	1.8
119.03510	3.1
121.02955	2.4
123.00842	1.0
125.02455	19.0
130.03336	3.3
131.03517	16.8
137.02469	0.8
143.03506	2.9
146.08241	24.4
147.04555	1.8
147.05885	0.8
148.05315	63.0
149.04572	20.3
149.05702	2.4
153.05583	2.9
161.04607	1.1
163.07671	20.5
164.08008	0.7
173.04680	0.9
191.05621	10.6
196.06148	1.0
197.04556	5.0
211.35535	0.7
217.11903	4.6
233.06747	4.2
256.06482	7.5
277.12274	13.4
278.12766	0.9
291.14053	0.8
293.08783	8.7
310.07657	1.1
414.21936	1.3
415.23526	2.5
457.16428	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03434	1.0
58.00592	2.6
59.01384	57.2
59.57064	0.9
71.01388	22.1
71.28933	1.1
71.29327	1.3
72.99307	3.3
73.02943	1.0
80.96532	1.1
83.01409	2.8
85.02949	2.8
87.00890	1.7
89.02456	30.3
101.02446	25.3
109.02971	2.6
111.04514	2.9
113.02473	4.1
117.03504	1.1
119.03519	24.0
119.04960	2.2
121.06625	1.7
123.04502	1.1
123.08175	4.2
125.02434	2.7
131.03564	1.3
137.02489	1.8
145.02980	2.0
149.04562	1.5
161.04562	1.7
163.04019	4.3
171.11803	3.2
179.05653	2.9
189.12827	9.4
202.83368	1.2
203.07249	1.6
215.10698	2.1
233.11867	2.7
234.37845	1.1
244.76518	1.0
277.10797	8.7
289.07275	3.0
303.04752	1.2
457.17212	100.0
458.17456	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46252	0.9
55.01869	2.1
57.03436	1.7
58.00600	2.0
59.01386	69.8
66.38916	0.9
71.01389	36.8
72.99306	3.4
83.01389	2.9
83.05042	1.4
85.02959	9.0
87.00875	1.1
89.02455	43.6
95.01412	3.1
96.96020	1.8
101.02455	23.8
109.02963	2.8
111.04543	3.1
113.02465	13.4
116.30102	1.0
119.03522	19.4
119.05049	3.6
121.06627	2.8
123.08168	3.5
129.07190	1.3
131.03476	2.1
142.66653	0.9
143.03511	1.7
161.04529	1.7
163.04033	5.2
171.11862	5.0
179.05638	4.1
189.12840	10.2
191.05623	1.1
215.10837	1.3
233.11874	3.3
251.12802	2.1
277.10773	11.6
295.12054	1.8
361.50150	1.0
368.77716	1.1
457.17181	100.0
458.17599	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.6
57.03440	1.3
58.00598	3.5
59.01384	69.8
65.84875	0.8
68.26885	0.9
69.03458	8.3
71.01387	74.1
71.32230	2.0
72.01731	1.1
72.99303	3.3
73.02956	12.4
75.00878	3.0
75.22036	0.8
81.03471	5.3
81.69281	0.9
83.01407	4.5
84.59737	0.8
84.64605	0.9
85.02961	9.8
87.00916	2.9
89.02452	100.0
95.01408	4.1
97.02959	11.2
99.00887	17.3
99.04525	1.9
101.02452	14.4
111.00915	1.8
113.02466	7.1
115.04013	6.8
119.03527	1.9
125.02457	45.2
131.03511	11.8
135.04550	14.3
143.03496	4.3
147.04564	1.2
148.05321	56.6
149.04578	13.1
149.05672	2.3
155.03592	1.1
161.04578	2.7
163.07663	16.3
173.04573	2.1
191.05669	10.9
197.11800	1.4
227.03513	1.4
233.04338	1.8
233.06670	33.7
255.03014	3.5
284.03296	5.1
293.08789	23.3
340.06955	3.1
345.31317	1.0
402.04056	1.7
403.04193	0.9
457.18347	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60521	1.7
58.00594	2.2
59.01385	74.0
68.99837	1.7
69.03461	6.5
71.01388	75.6
72.99323	4.7
73.02957	10.7
75.00861	3.3
81.03484	5.7
83.01389	5.6
85.02962	12.2
87.00904	2.7
89.02454	100.0
89.32392	1.7
90.02809	1.9
92.33957	1.8
95.01431	3.2
97.02976	10.6
98.22545	6.0
99.00890	16.2
99.04527	2.7
101.02449	19.4
108.02197	5.7
111.00906	2.5
112.19785	1.7
113.02470	9.1
115.04044	6.1
119.03541	2.3
121.03015	1.8
123.00872	3.0
123.04546	5.5
125.02464	43.2
126.02787	2.3
127.04073	1.7
131.03520	10.2
138.03256	1.8
143.03520	6.1
148.05328	73.6
149.02518	3.0
149.04602	11.0
149.05637	3.0
150.03227	4.1
161.04555	2.9
162.03294	4.8
163.07663	25.1
166.06485	3.4
177.05550	4.4
178.02695	9.0
191.05629	6.4
193.05112	8.6
229.35107	2.0
233.06654	33.7
243.50262	2.1
249.14920	2.5
263.10373	1.6
293.08835	23.5
295.05829	3.8
343.63876	1.7
345.13483	1.8
357.64774	1.5
375.14481	26.5
376.14932	3.3
413.19608	1.8
457.18451	5.5
458.85339	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1722
Annotation	Foliachinenoside B2
Peak:m/z	Relative Intensity
55.01875	1.4
57.03428	1.0
58.00596	4.6
59.01382	84.9
67.01878	0.9
69.03468	4.5
69.13834	6.2
70.02975	5.0
71.01387	83.3
71.05020	7.0
72.01742	1.2
72.99324	4.0
73.02961	6.6
81.03450	3.7
83.01388	3.9
85.02954	10.0
87.00887	4.5
87.05653	2.0
89.02453	100.0
89.05747	0.8
90.02790	1.4
93.03499	0.7
95.01396	2.2
97.02961	7.5
99.00898	1.0
99.04524	2.4
101.02453	18.4
111.00878	4.0
113.02456	11.3
115.03992	1.2
116.07185	1.8
119.03510	3.1
121.02955	2.4
123.00842	1.0
125.02455	19.0
130.03336	3.3
131.03517	16.8
137.02469	0.8
143.03506	2.9
146.08241	24.4
147.04555	1.8
147.05885	0.8
148.05315	63.0
149.04572	20.3
149.05702	2.4
153.05583	2.9
161.04607	1.1
163.07671	20.5
164.08008	0.7
173.04680	0.9
191.05621	10.6
196.06148	1.0
197.04556	5.0
211.35535	0.7
217.11903	4.6
233.06747	4.2
256.06482	7.5
277.12274	13.4
278.12766	0.9
291.14053	0.8
293.08783	8.7
310.07657	1.1
414.21936	1.3
415.23526	2.5
457.16428	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11218	1.3
55.01856	1.7
55.66345	1.5
56.78302	1.5
57.03449	3.1
57.17897	1.4
59.01093	2.6
59.01385	43.4
60.49860	1.5
61.35690	1.4
61.98820	4.2
62.17443	1.5
69.54815	8.4
71.01389	38.5
72.99329	2.8
73.02951	14.7
78.95892	2.3
83.01388	4.5
83.91952	1.5
85.02960	18.4
87.00871	4.1
89.02456	14.2
94.03680	1.5
95.01371	3.5
96.96016	2.4
96.96964	5.7
99.00900	6.5
101.02459	32.2
101.03122	2.3
109.02917	3.3
113.02456	19.8
119.03493	6.0
119.05021	9.1
120.99622	1.8
124.88345	1.6
125.02438	3.7
131.03511	4.4
133.06581	1.9
135.04495	2.3
136.99121	1.9
143.03500	3.7
145.02980	2.0
149.06096	4.1
159.03040	3.5
161.04578	22.5
161.05916	2.8
163.04001	11.1
167.71063	1.7
173.04504	1.7
173.06079	2.2
177.05583	3.1
187.39835	1.4
191.05617	2.5
191.07135	4.9
205.05162	2.5
215.07283	1.6
226.15627	1.7
233.08275	2.9
235.11961	2.6
251.09065	2.0
252.66010	1.5
265.12936	100.0
266.13181	4.2
285.07123	1.3
295.08231	4.8
295.11475	1.5
394.10193	1.5
397.17114	24.0
457.11700	2.0
457.18140	12.9
458.17474	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.8
57.03446	1.8
57.14963	0.5
58.00591	3.7
59.01383	100.0
59.08114	0.6
60.01722	1.0
69.02836	3.6
69.03238	1.6
69.03498	1.9
71.01388	49.4
72.99316	4.7
73.02952	22.9
75.00886	0.8
81.03475	0.6
83.01399	7.1
85.02955	16.0
86.00121	1.4
87.00887	9.8
87.04545	2.2
89.02454	52.8
93.03458	0.9
95.01425	2.2
97.02968	1.9
99.00922	1.4
101.02452	51.4
102.02852	0.8
103.04015	15.7
103.04655	1.0
113.02457	14.1
113.03174	0.9
115.04023	3.8
119.03507	26.7
124.01674	0.6
125.02454	3.7
127.04021	1.7
129.02318	0.5
131.03514	9.5
131.04359	0.8
139.33856	0.5
141.84084	0.6
143.03516	13.4
145.05093	4.6
149.04562	1.3
161.04578	5.1
163.06136	27.9
179.05620	6.2
191.05615	3.9
205.07187	23.8
206.07617	1.0
249.15157	0.7
261.01617	0.6
265.09418	1.2
311.15051	3.6
415.23529	2.7
457.20657	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2234
Annotation	Berkeleyone C
Peak:m/z	Relative Intensity
56.53129	0.7
57.03431	2.7
58.41258	0.7
59.01370	2.3
59.23239	0.7
71.32159	0.9
73.02946	0.9
78.85021	0.7
83.05026	1.5
85.02960	20.3
94.49738	0.6
97.02954	2.5
97.06598	1.3
99.04521	4.0
109.02963	5.4
121.02981	0.7
123.04556	1.4
124.01675	15.8
125.02470	9.9
125.06125	1.0
130.19695	0.7
137.01468	1.4
137.02451	17.8
138.02293	0.8
138.03259	12.4
139.04034	24.4
140.04324	1.0
149.06090	0.7
150.03206	1.8
151.04021	3.5
152.04813	7.4
153.05579	2.7
159.04530	0.9
161.02454	1.4
162.03209	5.0
162.79233	0.7
163.04054	5.2
164.04802	6.8
165.01884	0.7
165.05586	8.1
167.03500	0.7
170.02211	2.9
173.06142	1.0
175.04002	4.5
176.04839	0.9
177.01898	2.8
177.05519	2.4
177.09172	2.4
178.02702	1.5
178.06276	1.1
179.03644	0.8
179.07140	5.0
184.03778	3.9
187.03958	3.6
188.04765	1.2
189.01918	0.9
189.05618	3.8
190.02751	3.3
190.06326	2.2
191.03481	2.2
191.07129	7.4
192.07852	2.3
193.08684	2.1
201.05586	1.5
202.06410	1.1
203.03481	1.0
203.07176	1.3
204.04315	3.7
204.07927	1.8
205.04807	0.9
205.08690	11.0
206.09433	3.6
207.10219	0.9
214.06311	0.8
215.07094	2.0
216.07971	4.1
217.05054	1.6
217.08665	1.6
219.06602	2.0
219.10208	2.2
229.08522	1.0
231.06615	1.7
231.10202	1.0
233.08221	5.4
233.11783	8.9
234.08891	0.9
243.10310	4.1
245.11668	1.0
246.08864	0.9
247.13345	1.1
248.10483	1.2
257.19052	1.7
258.09366	0.7
259.22589	0.7
261.11270	2.9
261.15012	5.4
262.15723	1.0
269.19168	1.0
283.20676	2.9
313.17917	1.1
329.06116	0.9
330.11038	1.8
337.21704	2.0
345.13400	1.4
355.15762	0.9
355.23010	1.2
359.14990	8.8
360.15778	11.6
361.16165	1.6
370.14203	1.0
371.14938	2.3
393.17053	0.8
397.19778	0.8
399.14005	1.3
399.21979	17.0
400.22305	1.5
405.00656	0.7
414.20364	3.0
424.18973	4.9
425.19656	7.1
426.19904	1.2
429.22678	1.3
439.24872	1.9
442.20053	3.4
457.22275	100.0
458.22546	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2237
Annotation	Berkeleyone C
Peak:m/z	Relative Intensity
50.47816	0.7
57.03464	0.6
58.98624	0.7
59.01368	0.8
71.05043	1.5
72.28162	0.7
85.02954	0.8
93.03454	0.7
97.02946	0.8
98.21819	1.6
99.04524	11.5
109.02975	4.2
121.02959	3.0
122.03749	3.4
123.04520	3.0
124.01665	0.7
125.02436	1.6
126.35186	0.7
135.04539	2.2
135.99548	0.7
137.02457	10.7
137.06071	0.9
138.03224	4.2
139.04094	0.7
148.05464	0.7
149.02443	1.4
149.06113	6.1
150.03119	0.8
151.04054	3.2
152.04797	2.0
153.05563	1.4
154.02673	1.3
159.04532	0.9
161.02411	2.7
162.03227	9.7
163.04028	4.3
163.07661	1.3
164.04787	2.6
165.05588	7.0
170.02281	0.6
173.02463	0.7
174.03259	1.4
175.03951	1.8
175.07558	1.4
176.01149	0.7
177.01944	12.0
177.05533	3.6
177.09175	3.0
178.02602	2.7
178.06325	1.0
179.07135	1.0
188.04750	1.2
189.01888	1.6
189.05525	2.0
190.02716	2.9
191.03502	9.6
191.07137	3.2
192.00644	1.5
192.04204	3.0
193.05064	1.6
193.08708	5.4
203.07140	2.8
205.05000	2.9
205.08638	3.3
206.05783	2.4
206.09547	0.8
207.06680	4.1
217.05016	2.8
219.06557	1.3
219.10233	0.9
221.08197	2.1
231.10315	1.8
232.07266	0.9
233.08191	1.0
234.08853	0.8
245.08229	1.4
247.09668	1.2
249.07788	0.8
249.11296	6.1
250.08293	0.7
259.09756	2.0
259.13254	0.8
277.10965	1.1
277.14389	1.4
315.12451	1.3
315.15997	1.4
327.12405	0.8
330.14752	10.9
331.15182	1.6
342.14737	4.2
343.15341	2.7
343.19141	1.5
345.17078	16.4
346.17514	1.2
353.13800	1.0
356.12622	2.1
357.17078	7.1
358.17258	0.8
367.15372	1.0
368.12640	1.9
370.14252	4.7
371.14874	1.9
381.16812	1.4
383.14957	8.8
384.15570	1.8
385.16510	5.5
386.17111	2.4
396.19199	1.2
397.19751	0.8
399.18021	0.7
413.19791	7.4
414.20514	5.4
424.19000	1.8
425.19290	1.9
429.22934	1.0
439.21399	2.9
442.20059	5.9
457.22299	100.0
458.22696	12.8
458.33795	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2237
Annotation	Ardisinone B
Peak:m/z	Relative Intensity
56.33466	0.7
59.01373	1.5
62.28468	0.6
68.89370	0.6
69.00448	4.6
69.00879	2.5
78.67222	0.7
97.06604	2.3
109.02947	6.1
121.02948	0.8
122.03761	1.1
123.04515	2.6
124.01668	14.2
125.02474	9.6
133.77441	0.6
135.04530	0.7
137.02455	15.1
137.73497	0.7
138.03246	17.4
139.04030	25.3
140.01207	0.7
140.04376	1.1
149.06078	1.5
150.03259	0.6
151.04051	3.0
152.04825	4.0
153.05571	2.0
159.04478	0.9
160.63512	0.7
161.02469	1.1
162.03224	2.3
163.03969	2.7
163.07594	0.7
164.04810	7.2
165.05562	8.0
168.48639	0.6
170.02213	4.5
172.05301	0.8
173.06082	1.7
174.03218	1.8
175.04005	3.0
175.07681	0.9
176.04799	2.1
177.01927	0.7
177.05588	4.3
177.09239	1.3
178.06364	0.6
179.07100	5.6
184.03830	3.9
187.04045	1.9
187.07654	2.4
188.04813	3.3
189.05533	5.0
190.02708	4.2
190.06326	3.0
191.07132	7.8
192.04219	1.2
192.07971	3.0
193.04965	0.7
193.08601	0.8
200.04765	1.1
201.05533	2.4
201.09238	0.8
202.06340	2.1
203.03491	2.1
203.07175	3.4
204.04305	2.1
204.07863	1.9
205.05037	1.3
205.08711	5.4
207.87543	0.7
215.07120	4.0
215.10818	0.8
216.07887	1.7
217.05081	1.5
217.08665	7.4
218.05788	1.3
218.09157	0.6
219.06638	10.3
219.10220	2.4
229.12433	0.8
231.06673	1.4
231.10226	1.0
232.07397	2.2
233.08060	3.1
233.11876	2.9
234.08810	0.8
243.10255	1.4
247.09769	0.9
260.10599	1.4
261.11298	5.5
261.14212	0.9
261.14929	0.8
271.13199	0.8
275.12955	1.1
289.14478	2.1
330.10956	0.8
345.13388	2.0
359.14825	7.1
360.15881	14.1
361.15921	1.2
374.76044	0.7
384.15723	2.0
385.16571	2.0
386.17029	1.3
398.17108	1.2
399.18121	12.3
400.18604	1.4
407.18497	1.1
413.15845	1.4
425.19675	7.5
426.19980	1.2
428.18674	1.7
442.20038	2.9
457.22327	100.0
458.22687	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71875	0.7
68.06538	0.6
97.06602	2.2
98.22566	1.2
109.02950	5.6
110.03301	0.8
121.02933	0.7
123.04577	3.3
124.01675	15.9
125.02474	10.5
137.02455	13.9
138.03255	18.2
139.04030	26.1
149.06099	1.7
150.03232	0.9
151.04048	3.9
152.04826	5.5
153.05579	1.3
159.04564	1.6
161.02409	2.1
162.03209	2.2
163.03986	1.8
164.04810	7.2
165.05579	7.8
169.87808	0.5
170.02237	3.9
172.05350	0.9
173.06004	1.6
174.03276	1.2
174.14951	0.6
175.04021	3.1
176.04736	2.6
177.05568	3.8
177.09251	0.8
178.06302	1.3
179.07144	6.0
180.04207	0.7
180.19324	0.6
183.79048	0.6
184.03784	2.0
187.04024	1.8
187.07683	3.0
188.04770	3.5
189.05646	4.7
189.09177	0.9
190.02751	4.4
190.06398	3.4
191.03363	0.8
191.07182	8.5
192.07933	3.5
194.12344	0.6
200.04836	0.9
201.05598	3.0
202.06378	2.8
203.03477	2.1
203.07143	3.4
204.04266	2.6
204.07834	1.9
205.04987	1.4
205.08655	5.4
206.09476	0.9
206.17476	0.7
215.07137	5.5
215.10730	1.1
216.07913	1.9
217.05046	1.5
217.08685	6.0
218.05861	0.9
219.06671	10.8
219.10196	3.4
220.07162	0.9
228.81900	0.8
231.06584	1.2
231.10178	1.0
232.07382	3.0
233.08148	1.7
233.11816	3.8
243.10228	1.9
244.63118	0.7
245.11731	0.9
247.09894	0.8
249.04254	0.8
260.10620	0.8
261.11337	5.8
271.13376	1.1
275.12921	1.5
289.14456	2.6
330.11258	1.5
345.13504	2.7
359.14987	7.3
360.15833	13.7
361.16049	1.5
367.15576	1.1
370.14261	0.8
384.15622	1.6
385.16788	1.3
386.17474	0.8
399.18094	11.6
400.18347	1.0
414.20493	0.8
425.19751	7.4
426.20215	0.8
428.18378	2.4
442.20023	2.5
457.22318	100.0
458.22745	11.8
458.28583	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94618	0.7
54.86900	0.6
69.34908	5.4
99.92596	6.1
100.93374	2.7
115.92087	100.0
116.92097	3.9
116.92873	7.3
132.92348	0.8
155.95270	0.7
172.95464	1.9
183.75104	0.6
211.42293	0.8
244.34027	0.8
291.62531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2447
Annotation	(-)-Tetrazomine
Peak:m/z	Relative Intensity
55.01870	2.3
57.03437	2.6
59.01385	56.6
60.34229	0.6
61.52481	0.7
61.98819	0.8
69.03450	1.6
71.01392	22.2
72.99311	1.8
73.02956	5.7
83.01381	4.0
85.02956	10.6
86.00091	1.4
87.00877	4.1
89.02442	4.8
89.91833	0.7
95.01373	2.3
97.02963	0.9
98.22206	0.8
99.00908	2.2
99.04527	1.0
101.02458	10.5
105.58795	0.9
113.02473	6.4
119.03469	1.2
125.02444	1.5
143.03546	0.7
161.04561	2.2
209.11719	0.8
249.14963	2.5
253.18126	4.0
397.22299	15.5
398.22809	0.9
408.90680	0.7
415.23389	39.2
416.23813	4.5
447.25092	0.8
457.24481	100.0
458.24857	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.8
59.01383	100.0
60.01720	1.1
61.21854	0.5
69.23097	3.4
71.01388	6.7
72.37344	0.6
72.57438	0.5
72.99427	0.5
73.02964	2.3
81.12267	0.5
83.01395	0.8
85.02959	3.2
87.00948	0.5
89.02475	1.5
99.00940	0.8
101.02443	4.8
113.02464	3.0
119.03490	0.6
138.52812	0.5
159.03027	0.7
161.04578	5.5
177.12796	0.7
195.70753	0.5
201.90002	0.6
249.15047	0.7
257.17929	0.5
397.22278	9.4
398.22897	0.9
424.82892	0.6
439.17654	0.9
457.18918	1.5
457.24597	0.7
471.75027	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.59415	2.0
71.01393	21.7
73.02936	6.5
79.13780	2.0
83.01381	2.4
85.02973	8.9
89.02463	8.8
96.95918	1.8
101.02462	15.7
108.82743	1.9
113.02463	11.4
119.03537	2.9
127.87049	2.1
142.83928	1.8
144.87346	2.3
159.03001	2.5
161.04546	17.2
195.58386	2.1
283.06506	2.2
303.95334	2.4
397.22214	12.6
457.33569	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.3
57.03454	17.4
59.01385	7.0
69.03455	6.0
69.08779	8.2
69.09203	5.5
71.01381	3.6
72.32072	1.6
83.05032	3.8
85.02960	100.0
85.27126	1.7
86.03252	1.8
97.02958	10.0
97.06599	3.6
99.04533	23.6
109.02970	2.7
109.06632	1.6
118.97485	1.3
124.01652	8.0
125.02470	6.2
125.06116	4.0
130.67169	1.5
131.93607	1.4
137.02452	9.6
137.06160	1.7
137.54953	1.4
138.03241	4.9
138.06894	2.4
139.04041	13.3
139.07603	3.3
151.04012	1.9
152.04768	1.9
161.02567	1.6
163.03972	2.3
163.11360	1.8
165.05562	4.8
175.04047	2.4
179.07208	2.6
184.03716	1.5
191.07144	2.9
204.08031	1.7
205.08690	4.1
213.17111	1.4
233.08224	2.5
233.11961	3.3
238.77496	1.8
243.10284	1.9
257.19217	9.2
261.15176	1.5
269.19046	4.7
283.20679	15.5
295.20734	2.5
301.18036	4.0
313.18204	6.6
319.20761	3.2
327.19626	3.2
327.23193	3.8
337.21805	9.1
355.22824	4.8
359.15121	5.1
360.15683	4.9
363.19821	2.0
377.24634	2.1
381.20663	8.5
395.26038	4.3
399.21799	94.8
400.22064	10.5
421.23868	3.9
424.19183	2.5
425.19662	4.3
439.24985	10.5
442.19452	1.9
457.21490	41.9
458.22699	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2598
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
57.03439	4.1
58.36604	1.9
59.01384	100.0
63.70405	1.8
67.31424	1.9
69.95931	8.5
83.05031	34.7
86.76225	1.7
87.22417	2.0
95.43922	1.7
99.04539	4.5
102.64816	2.0
137.45027	1.7
138.06862	5.9
150.43201	1.7
156.28708	1.8
206.78371	2.1
283.20807	3.8
351.27045	2.5
395.25946	15.1
397.23859	53.6
398.24115	4.9
410.62320	1.9
457.25952	93.1
457.32587	3.9
458.26367	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.9
59.01389	2.9
60.99311	0.7
69.03458	1.2
71.05030	4.5
81.57787	0.3
83.05035	1.3
84.11378	0.3
88.32913	0.3
88.86818	0.4
90.38082	0.3
90.81759	0.3
107.05041	0.4
109.06599	0.4
166.22548	0.3
172.73793	0.3
203.78835	0.3
216.11404	0.3
244.64630	0.3
285.69379	0.3
331.26086	0.5
376.67953	0.3
379.26175	0.5
381.28262	0.6
395.29312	7.8
395.33307	1.1
396.29593	0.7
397.31110	8.0
398.31534	1.1
403.37314	0.3
413.34363	6.3
414.34641	0.5
439.32147	1.1
457.33310	100.0
458.33633	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3329
Annotation	Platanic acid
Peak:m/z	Relative Intensity
55.69877	0.3
56.43997	0.4
57.03453	3.2
58.48222	0.4
59.01381	3.2
60.99310	0.8
63.44341	0.3
69.03445	0.9
72.69200	0.3
74.41719	0.3
75.88168	0.3
85.06586	1.6
97.06610	0.4
98.21759	0.7
111.08181	0.6
116.43063	0.4
204.16014	0.3
230.53606	0.4
315.23447	0.4
331.26517	0.5
341.57178	0.3
355.30051	0.6
375.45474	0.4
381.28131	0.6
395.29007	6.9
395.33481	3.0
396.29764	0.8
397.31128	9.5
398.31668	1.2
411.32840	0.6
413.34305	6.5
414.34702	0.7
439.32263	1.4
457.33334	100.0
458.33688	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3325
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
63.62550	1.1
70.65421	3.8
82.35187	1.3
212.89136	1.4
251.78587	1.2
257.88297	1.5
319.47787	1.3
358.07169	1.3
457.33289	100.0
458.33484	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3327
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
57.03222	0.7
57.03454	7.7
69.12509	1.3
69.12927	5.6
79.64059	0.8
83.05064	1.0
98.21710	1.4
138.35316	0.7
147.39221	0.7
158.89285	0.7
171.80168	0.8
192.44188	0.6
315.31235	0.6
355.30023	1.9
395.33557	0.8
397.31042	1.0
399.28906	2.9
439.32184	2.1
457.33295	100.0
458.33691	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3328
Annotation	Platanic acid
Peak:m/z	Relative Intensity
63.84303	1.3
68.24627	1.1
69.40137	6.6
76.28193	1.1
83.04981	1.3
90.08041	1.3
91.41080	1.1
107.05041	17.1
109.06602	100.0
110.06911	2.7
198.23598	1.2
245.71335	1.4
303.26962	27.8
304.27420	1.5
357.31461	3.7
395.33289	2.4
413.34314	15.5
414.34747	1.7
431.35257	11.9
432.35995	1.9
457.33151	75.8
458.33453	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3327
Annotation	Platanic acid
Peak:m/z	Relative Intensity
51.23348	1.6
66.27682	1.8
69.04967	11.9
82.94495	1.6
83.05028	1.8
83.55341	1.4
98.22587	2.3
107.05041	19.0
107.56361	1.6
109.06600	100.0
109.19868	1.4
110.06963	3.2
134.95351	1.6
163.11166	1.5
233.93356	1.9
242.71866	1.6
303.26981	24.4
357.31396	3.8
395.33450	2.8
397.31287	2.0
413.34271	18.2
414.34866	2.2
431.35199	13.6
457.33173	76.7
458.21054	2.4
458.33490	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3692
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
51.98341	13.7
54.02834	14.3
63.21476	14.1
69.17179	100.0
69.17606	40.5
106.54159	14.2
167.53340	15.0
446.61487	15.7
457.36792	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3693
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
60.09808	1.2
61.79626	1.2
69.39346	5.7
69.39783	4.9
105.51067	1.3
109.06588	1.9
183.62061	1.3
457.36990	100.0
458.37329	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3693
Annotation	Endodesmiadiol
Peak:m/z	Relative Intensity
55.12344	3.6
55.12611	4.0
58.44737	4.4
60.27578	3.9
71.01381	4.6
89.90846	3.6
105.31613	4.4
110.78571	4.9
111.43549	4.0
111.52061	4.5
155.29170	4.0
159.36705	3.7
256.30701	4.3
427.35800	6.5
428.01697	4.4
457.36975	100.0
458.37061	13.4
464.84265	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05545	3.3
51.86608	4.1
55.02463	3.6
57.03462	5.3
59.01373	32.9
61.98825	6.7
71.01385	42.7
71.31880	7.6
73.02959	11.5
75.00842	4.7
83.01399	7.5
85.02969	16.0
89.02451	10.2
90.55295	4.6
94.42294	4.4
98.61409	3.9
99.00891	8.1
101.02454	31.5
107.98262	4.0
110.79440	4.0
113.02449	13.1
125.02402	5.3
131.03549	27.5
157.11194	3.8
159.03024	8.0
161.04584	27.6
175.24925	3.8
184.11253	3.8
242.72258	4.5
283.11880	100.0
284.12186	5.6
297.13501	7.5
415.16263	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16701	4.3
52.55378	4.0
57.03458	6.9
59.01389	49.6
61.17089	4.1
61.98837	6.5
65.48932	4.5
65.65856	5.2
71.01385	42.2
71.30901	5.2
73.02950	17.8
83.01383	6.0
85.02949	25.2
85.47480	4.2
89.02455	15.8
99.00897	8.8
99.04548	8.8
101.02445	38.1
113.02438	23.1
120.99657	4.8
131.03578	27.8
159.03008	6.7
161.04530	30.1
191.05687	7.1
208.14412	5.1
240.38391	4.0
251.12976	5.1
283.11890	100.0
297.13431	15.9
415.16122	12.9
439.29361	5.2
458.17532	14.3
459.18521	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32467	7.3
59.01382	66.1
61.98822	26.1
71.01387	60.7
71.31689	10.9
73.02936	15.2
85.02965	9.4
87.00867	12.5
89.02451	100.0
96.96024	69.1
101.02460	42.3
113.02430	12.6
125.02445	6.3
131.03519	41.0
135.04497	6.8
149.04581	75.8
161.04558	6.5
191.05649	20.7
231.24776	6.5
260.03448	7.3
297.13425	6.3
415.16397	9.0
429.85504	6.4
458.11996	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23088	5.2
59.01382	82.4
71.01384	71.4
73.52071	5.8
85.02943	9.1
89.02449	100.0
95.56212	5.3
98.21757	13.2
101.02458	40.0
113.02480	16.1
119.03513	20.1
131.03502	61.6
134.78120	5.9
149.04558	67.7
155.62665	5.8
164.85007	5.6
167.38719	6.7
179.05627	22.8
191.05621	42.9
311.10123	7.5
392.57855	5.8
405.17807	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30645	3.2
59.01094	4.5
59.01384	83.0
61.30611	3.5
61.98835	3.5
69.01385	11.5
69.01810	20.3
71.01389	68.0
73.02936	11.5
79.95709	5.7
85.02956	12.0
89.02451	100.0
95.95240	3.1
96.96022	63.5
98.95607	5.6
99.00902	3.5
101.02448	49.9
109.02964	4.2
112.49946	3.2
112.79891	3.1
113.02472	18.3
119.03494	16.9
125.02453	6.4
131.03508	31.7
143.03491	5.6
145.95999	3.3
148.60143	3.1
149.04562	94.6
161.04555	6.9
179.05704	15.0
191.05666	16.8
251.07587	4.3
260.03568	5.0
261.03888	3.4
415.16052	21.4
458.12057	36.7
459.11731	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13499	2.9
57.03468	3.8
57.59735	3.7
59.01381	10.7
61.98829	4.4
62.28746	2.9
64.88802	3.2
69.63288	3.2
69.85400	3.4
69.85732	11.1
70.80524	3.2
71.01379	3.4
89.02425	3.9
91.35410	3.2
101.02546	3.5
117.03455	4.5
119.05084	3.5
125.02460	11.2
145.02959	18.1
146.03740	32.1
150.61978	3.4
161.06087	13.7
163.03989	9.6
164.04787	27.7
176.75745	3.8
179.07170	100.0
180.07512	6.6
328.93286	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69984	1.0
52.73508	0.8
59.01382	14.5
59.71579	0.9
61.98834	100.0
71.01373	3.2
85.02974	1.0
89.02444	2.2
100.55178	0.9
101.02460	1.8
107.92994	1.0
108.33184	1.0
113.02451	1.1
119.00795	1.0
161.04607	1.1
181.99925	0.9
189.15086	1.0
223.13406	5.9
282.85254	0.9
305.75363	1.0
358.58691	1.0
399.24466	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46531	4.4
56.53542	4.7
57.03430	5.7
59.01143	5.3
59.01386	68.6
61.98819	6.8
69.19291	32.4
71.01386	33.7
73.02964	7.1
73.69413	5.8
81.73395	4.8
82.99913	4.9
85.02936	10.7
87.00890	4.9
89.02441	28.6
93.03491	7.4
101.02435	23.3
113.02458	13.3
113.83143	4.5
119.03494	16.5
120.31897	4.5
130.32668	4.6
131.47760	5.3
135.04568	6.8
139.81564	4.4
145.02884	4.8
161.04556	18.5
164.07988	5.3
179.05667	5.0
187.75990	4.9
191.05617	14.3
205.31949	4.8
227.03528	14.2
255.00468	7.7
255.03000	100.0
262.66415	5.5
283.02509	45.0
297.17047	5.8
312.02713	46.7
313.03387	13.9
355.81473	5.4
415.23575	15.0
456.67603	5.9
458.14844	6.8
458.20786	9.1
458.32068	5.6
459.03412	7.2
459.09406	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.2
57.98120	1.1
59.01383	100.0
60.01724	1.2
61.98835	13.8
66.68369	1.1
70.39622	1.2
71.01391	16.6
71.29422	1.1
71.29866	1.8
73.02943	4.0
83.01383	2.2
85.02955	5.8
87.00874	1.4
88.48436	1.3
89.02459	12.1
99.00901	2.7
101.02449	11.4
113.02458	7.4
115.92087	4.8
116.92825	1.6
119.03522	4.2
121.02998	2.9
125.02466	2.5
135.04500	2.9
143.03545	1.7
146.06152	2.2
148.05298	2.1
159.02956	1.5
161.04599	9.0
161.05823	1.9
163.07686	5.3
164.07985	2.3
165.09244	5.1
174.05641	4.3
179.05602	2.8
237.14970	3.0
243.02798	1.5
264.24078	1.3
268.55743	1.6
357.19070	2.8
357.44775	1.3
399.23877	7.0
415.23303	11.7
416.23401	1.3
419.99661	1.3
458.19147	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65956	2.9
54.42661	3.4
57.03461	3.9
59.01091	6.5
59.01382	100.0
60.01730	3.2
60.72100	2.9
69.90560	12.6
71.01376	18.9
73.02961	5.9
75.68903	2.9
83.01392	4.5
84.57571	3.2
85.02956	5.9
89.02451	16.6
89.19832	3.2
89.24549	3.1
98.22168	8.0
101.02450	14.1
104.97999	3.3
113.02470	7.3
119.03525	4.8
161.04599	7.3
179.05620	7.0
182.55702	3.5
191.05594	6.2
223.13359	17.7
326.75998	3.2
399.23587	4.3
415.23303	12.7
439.35675	3.7
458.19122	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60656	12.6
59.01374	48.1
60.90772	11.7
69.98596	12.6
71.01372	38.6
71.30519	14.0
73.02992	12.2
73.65527	11.2
89.02441	37.1
96.45878	12.4
101.02418	26.1
113.02472	30.1
118.70561	11.0
119.03511	17.3
120.97343	13.0
125.02421	12.8
161.04538	71.5
187.83058	14.1
223.63882	13.4
236.13771	21.1
285.47903	15.2
294.05103	12.4
415.23450	100.0
459.18848	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	4.2
59.01387	100.0
60.01719	5.6
61.98840	20.0
65.79298	3.8
67.19260	3.6
71.01382	70.4
72.01691	8.8
73.02936	13.4
77.61840	3.5
83.01405	4.8
85.02944	12.7
89.02451	92.8
90.02808	7.6
97.02944	10.4
99.00900	11.8
101.02467	23.7
113.02457	13.4
115.03975	5.8
118.15920	3.7
119.03508	13.9
119.05038	4.3
123.04494	8.1
125.02457	25.8
126.02776	7.6
131.03484	5.7
148.05316	35.3
149.04631	6.5
149.05658	19.4
161.04555	14.3
162.03151	7.1
163.03981	4.6
163.07663	7.7
164.08014	10.0
178.02769	5.2
179.05621	9.4
193.05122	7.3
194.05403	7.2
214.51477	3.8
227.03578	8.5
233.06558	14.5
234.07028	12.2
235.07051	5.2
247.52127	4.1
255.02937	23.2
284.03320	37.8
285.03986	7.9
293.08640	6.2
294.09045	7.3
295.05872	5.9
296.06354	7.4
376.14914	22.0
415.23398	17.4
458.18610	8.3
459.09412	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	7.9
58.00620	4.4
59.01385	48.1
61.98842	51.8
66.53509	4.0
71.01390	26.8
71.32014	6.8
85.02960	8.5
88.94566	4.6
89.02451	53.4
96.96017	5.0
100.99267	4.9
101.02461	27.1
113.02465	15.6
119.03539	24.0
130.29974	4.5
135.04536	5.2
143.03502	4.4
151.04045	11.5
161.04688	7.8
165.01906	3.9
179.05611	12.7
191.03589	23.8
203.03534	10.0
205.05055	41.8
233.04562	100.0
245.04561	6.3
247.06096	5.4
263.05515	22.7
273.59766	5.2
339.08719	48.6
369.09811	14.2
415.23303	14.4
459.12958	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07923	1.6
59.01381	100.0
59.62337	1.5
60.01703	2.1
69.19447	3.9
69.19857	12.4
71.01379	9.0
85.02990	2.7
89.02455	6.0
98.22556	3.5
101.02453	4.1
113.02464	7.5
118.66454	2.1
119.03516	2.1
161.04599	7.5
163.03220	2.6
165.09248	13.0
176.84660	1.9
189.05330	2.3
191.05940	1.6
227.03529	18.6
255.02997	26.8
284.03329	26.7
285.04050	4.2
309.11215	1.7
399.23920	4.9
415.23438	5.3
459.09399	18.7
463.86099	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12461	32.6
70.60528	100.0
116.76521	28.1
122.22139	37.1
165.41165	30.2
205.53955	39.9
209.08350	38.9
345.02246	32.0
364.53189	34.3
458.33514	40.0
460.33075	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40820	0.6
54.92210	0.5
59.56495	0.5
60.61083	0.5
62.15990	0.6
69.03471	1.0
71.01382	0.8
71.29038	0.9
73.02966	1.5
74.99372	1.5
78.95914	0.9
79.01894	0.6
88.98849	0.5
93.03470	7.3
95.01403	1.7
96.95998	0.6
99.91331	0.6
109.02978	2.1
111.04520	2.1
124.98824	1.3
125.00916	1.2
127.02535	3.3
128.96822	2.1
136.94012	1.5
137.02444	9.5
141.04198	0.6
149.00963	19.4
150.01111	1.2
151.02533	18.7
152.02701	1.6
153.00427	1.5
155.01993	1.0
155.03557	0.6
167.01984	1.0
167.88121	0.7
169.03568	1.5
173.04570	10.4
176.10118	0.6
177.00450	12.6
178.00739	1.1
179.02031	0.8
182.97842	2.8
195.01508	19.2
195.03343	1.0
196.01738	1.3
213.02563	35.2
214.02698	2.8
231.03671	3.8
246.88249	0.8
254.96332	1.7
285.01050	100.0
286.01230	9.7
316.72287	0.6
369.06616	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69965	0.5
59.01384	7.0
61.98833	4.2
64.22522	0.7
68.00433	0.6
69.42902	2.1
69.43304	1.1
71.01391	2.9
73.02977	0.7
77.03972	0.9
81.03449	1.0
83.01396	1.8
83.10331	0.6
85.02967	0.9
89.02443	2.8
96.96008	1.1
101.02438	1.7
104.84280	0.7
109.02954	0.7
113.02431	0.7
117.07117	0.8
119.05033	1.0
121.02954	1.5
123.04548	1.2
125.02423	1.6
133.06567	0.9
135.04503	1.1
137.06148	0.8
147.04533	1.9
149.02441	2.1
149.06143	1.2
151.00394	0.6
159.04523	1.1
161.02460	2.4
161.04671	1.4
161.06079	4.8
163.00380	1.1
163.04025	3.5
165.01962	0.8
165.09203	0.9
175.03978	1.4
179.03519	0.8
179.05756	0.7
184.11057	0.6
189.05635	1.0
190.02742	6.8
191.03520	20.2
192.03851	0.9
203.03516	11.9
204.04332	4.3
205.05074	53.4
206.05493	3.7
215.03522	2.5
217.05095	4.3
227.03505	0.7
230.02272	1.2
231.02995	1.4
233.04562	100.0
234.04924	5.4
236.03296	1.1
238.26669	0.6
245.04558	7.0
247.06174	0.6
258.03372	0.6
263.05618	25.9
264.05939	1.4
275.05682	1.7
339.08734	46.0
340.09003	4.7
353.08786	4.6
369.09824	10.9
370.10089	1.1
381.09552	1.1
389.17191	0.7
413.22037	0.8
459.12997	44.1
460.13416	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1515
Annotation	Paeonolide
Peak:m/z	Relative Intensity
57.03425	1.3
58.00593	3.8
59.01385	65.9
69.03469	1.3
69.06931	1.1
69.27448	6.7
69.27854	1.7
71.01388	52.7
72.99310	3.2
73.02953	18.3
80.91728	2.4
82.29102	1.2
83.01417	2.1
85.02956	5.1
87.00891	4.0
89.02454	100.0
90.02806	1.2
90.29863	1.0
96.95982	1.3
99.00889	32.1
101.02454	33.5
107.05096	1.5
108.02165	2.0
109.02967	3.5
113.02438	6.1
119.03516	3.2
123.00899	2.0
125.02431	6.9
131.03519	21.7
145.02907	1.2
147.04539	25.9
149.04572	62.7
150.04941	1.2
151.04024	37.2
152.01094	1.4
153.05573	1.8
153.44740	1.1
161.04578	3.4
165.09213	2.2
182.02264	2.2
191.05640	17.2
197.04584	5.2
214.98640	1.3
221.06529	2.1
251.07706	4.1
293.08807	2.1
297.13196	1.9
308.89316	1.2
459.02502	1.5
459.08936	1.9
459.14914	24.0
460.15591	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21701	1.0
52.71811	1.1
55.01865	1.6
55.67545	1.1
57.03440	1.4
58.00592	2.9
58.85254	1.0
59.01386	64.3
70.45085	3.3
71.01390	59.0
72.01741	1.2
72.99312	3.1
73.02956	17.8
80.91685	1.5
83.01387	1.7
85.02950	5.7
87.00897	2.8
89.02453	100.0
90.02734	1.7
96.96023	1.2
97.02962	2.1
98.22639	0.9
99.00889	28.5
101.02449	35.6
106.80493	1.0
108.02184	2.1
109.02956	2.2
113.02474	6.3
113.59698	0.9
119.03498	3.7
123.00890	2.4
125.02477	8.6
131.03525	22.5
131.04521	2.1
135.04581	1.8
138.03279	2.1
145.02954	1.4
147.04536	22.7
148.04926	1.4
149.04568	66.5
150.04901	2.1
151.04013	35.3
152.04326	1.3
160.06758	1.1
161.04546	4.5
165.09213	3.5
166.99799	1.8
168.92900	1.0
182.02188	4.1
191.05627	15.2
197.04547	4.6
221.06648	3.2
231.87878	1.2
233.06638	2.2
251.07722	4.3
256.04977	1.0
267.03107	1.4
279.12485	1.2
293.08832	1.2
297.13574	1.1
303.62827	1.2
311.09921	1.5
451.04388	1.0
459.09320	1.7
459.14905	29.7
460.15149	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	89.5
88.80752	1.8
98.20135	1.7
98.22623	3.7
99.04524	2.0
102.25706	1.7
103.73788	1.8
118.10165	2.3
121.03002	2.0
123.04472	2.7
133.13435	2.1
140.94223	1.8
170.66144	1.6
183.04648	2.6
235.03951	4.2
251.03601	3.2
279.02905	4.1
279.06766	2.7
279.10248	4.3
280.03931	2.2
281.08072	2.7
289.08832	5.8
294.05380	2.3
295.06104	2.6
307.02686	4.0
307.06158	34.9
307.09793	100.0
308.06622	4.2
308.10129	9.7
309.07733	17.2
310.08365	3.6
319.06158	2.5
319.09827	3.3
322.04895	2.9
322.08380	15.5
323.05618	5.0
323.09125	4.5
324.06403	7.1
324.09866	3.6
325.07260	2.1
334.08615	3.7
337.07135	19.1
337.10770	99.4
338.07748	11.8
338.11255	8.9
339.08810	5.3
339.12421	2.5
351.08820	3.8
352.09354	9.6
353.10352	10.7
354.11252	3.2
366.07257	3.7
367.11880	14.4
369.13525	3.9
384.12085	2.4
399.14432	16.1
400.14771	2.5
423.18564	3.2
428.08157	2.2
459.27646	5.6
479.10129	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54655	1.5
59.01386	100.0
70.07740	1.7
71.01373	2.2
71.31839	2.6
91.92176	1.6
101.02432	2.0
102.09624	1.4
118.25352	1.6
138.87378	1.6
152.66988	1.4
255.06618	1.6
283.06268	2.3
285.04111	3.1
295.06100	2.0
311.05768	4.3
323.05713	3.0
323.09399	1.8
325.07407	1.9
341.10342	4.3
353.10593	2.2
369.09775	9.5
371.07935	2.1
384.12283	6.5
387.10919	6.2
399.07227	2.2
399.14432	3.2
402.13287	1.9
417.15591	11.7
429.11826	10.4
444.14307	15.6
459.16678	95.4
460.17059	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40469	0.6
50.84681	0.5
57.08318	0.6
59.01383	100.0
60.01711	0.7
60.93019	0.6
61.46230	0.5
61.98839	0.8
69.69932	3.2
71.01385	1.3
89.02462	0.8
101.02484	0.8
118.80864	0.6
121.02996	0.7
161.04558	0.7
162.03285	1.6
177.05550	1.3
237.07747	1.7
390.29486	0.6
399.24063	1.3
464.02274	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1877
Annotation	Apiosylepirhododendrin
Peak:m/z	Relative Intensity
55.01871	1.9
56.43572	0.8
57.03439	3.5
59.01382	36.9
69.03461	1.5
71.01384	32.6
71.06711	1.9
72.99295	2.7
73.02956	11.3
75.00867	1.1
77.01286	1.0
78.91881	3.3
83.01395	9.0
85.02489	1.2
85.02959	16.5
86.00094	1.1
87.00865	2.2
89.02450	24.5
93.03485	1.1
94.51681	0.9
95.01396	2.6
97.02954	3.5
99.00874	7.1
101.02450	27.7
106.04250	2.3
111.00885	2.3
113.02457	11.7
115.03983	1.4
119.03484	2.9
121.06644	1.6
125.02470	8.7
131.03514	2.8
143.03494	2.1
149.04533	2.2
159.03053	1.3
161.04585	4.1
164.08432	3.0
165.09218	73.8
166.09555	5.1
173.63333	0.9
179.07111	1.1
191.05583	1.5
233.06616	6.0
293.08786	5.8
327.14493	100.0
328.14856	8.9
347.65152	1.2
459.18723	50.9
460.18884	4.8
460.29004	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
69.00909	5.1
69.01339	10.2
70.58142	1.3
71.01382	16.8
72.99298	1.6
73.02959	3.3
79.57344	1.3
81.26780	1.4
83.01407	2.4
85.02966	6.5
87.00902	1.6
89.02449	13.7
98.22534	2.9
99.00880	2.0
101.02437	11.0
113.02475	6.3
119.03474	2.1
121.10231	18.4
125.02467	2.2
125.27649	1.3
131.03519	4.6
149.04597	3.3
161.04561	6.8
165.09215	22.3
227.03543	3.2
255.02950	7.2
284.03229	9.0
285.03961	2.3
377.88220	1.6
399.23898	9.5
417.25070	4.5
423.22171	2.7
459.09378	2.4
459.19647	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
55.26451	0.4
55.45869	0.4
57.03455	0.5
58.00600	0.9
59.01383	100.0
60.01720	0.4
61.98827	0.9
68.38160	0.4
69.03456	0.4
69.80712	0.4
71.01389	18.2
71.32072	0.4
72.99329	1.0
73.02943	3.3
81.03464	0.4
82.41870	0.4
83.01402	1.5
85.02961	4.9
87.00906	1.1
89.02449	21.0
95.01381	0.8
99.00915	1.1
101.02455	11.8
113.02458	7.4
119.03518	6.5
119.41306	0.4
125.02440	0.4
131.03514	6.2
143.03485	1.9
147.37526	0.4
149.04581	4.6
159.03047	1.0
161.04578	9.0
165.09207	0.8
166.32928	0.4
173.51050	0.4
179.05630	3.0
191.05641	2.5
205.03601	0.5
271.02591	0.8
327.18042	2.5
399.24023	1.9
459.09415	0.9
459.22681	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58431	0.9
53.87254	0.8
56.84142	1.2
59.01382	100.0
59.14342	0.9
60.01722	1.3
65.13168	0.9
71.01388	7.8
73.02949	1.5
84.61558	1.0
85.02965	3.5
89.02451	3.0
97.56216	0.9
98.21739	1.8
98.22433	3.7
99.00877	1.3
101.02444	6.3
110.68089	0.9
113.02475	3.6
119.03497	1.3
141.44797	0.9
152.76454	1.2
161.04604	6.1
203.31102	1.0
229.34258	1.2
234.91570	1.0
251.16615	1.9
399.23953	21.7
400.24414	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	1.5
58.26218	1.3
59.01383	100.0
59.37709	1.1
61.61162	1.2
68.04831	1.1
70.20866	1.2
70.93530	2.0
71.01387	21.2
72.99315	2.0
73.02954	2.1
76.28444	1.1
76.45021	1.1
85.02960	4.3
89.02452	33.6
93.41791	1.1
95.01452	1.2
101.02435	17.1
101.92426	1.2
113.02454	9.5
119.03513	16.3
131.03493	1.7
131.63904	1.2
143.03522	1.7
161.04617	7.4
179.05611	8.8
231.95934	1.3
363.63657	1.2
399.23871	9.8
459.16971	1.3
459.27658	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37954	0.8
59.01381	100.0
61.98830	3.0
69.52388	1.0
70.60096	1.8
70.60448	0.9
71.01386	13.0
73.02956	3.4
79.40964	0.9
83.01383	2.1
85.02942	4.6
89.02446	3.9
95.55173	0.7
99.00910	2.0
101.02442	9.5
113.02430	6.9
119.03465	0.9
121.02972	2.4
143.03523	0.9
151.04037	0.9
159.03015	2.0
161.04576	23.1
195.16641	0.8
237.18629	3.1
399.15521	1.0
399.23926	8.3
401.08862	1.7
459.26697	2.7
459.78613	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
57.03466	0.9
58.00630	0.6
59.01383	100.0
60.01730	0.9
69.03451	1.2
71.01384	12.4
73.02954	3.1
76.98022	0.6
83.01431	0.8
85.02972	4.1
87.00890	0.7
89.02450	7.5
92.83696	0.7
98.22162	5.9
99.00925	1.5
101.02448	10.3
113.02469	5.1
117.03571	0.7
119.03551	2.3
131.03566	1.0
149.04587	1.0
153.01993	1.1
159.03062	1.3
161.04579	9.2
164.73221	0.6
167.10876	2.9
179.05675	0.8
179.10912	0.7
179.14471	2.5
195.13916	6.7
205.12338	6.4
206.12610	0.7
213.80115	0.7
223.13408	71.5
223.47978	0.8
224.11894	0.9
224.13634	3.9
229.11015	1.0
251.16669	2.2
253.09305	11.0
369.23138	0.9
399.23901	10.7
399.28482	0.9
400.24496	1.3
413.22058	1.9
459.16818	1.1
459.22498	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.3
57.03452	0.6
59.01383	100.0
60.01717	1.2
60.62094	0.3
69.16169	2.9
70.91428	0.3
70.91883	0.3
71.01385	6.1
72.99311	0.5
73.02962	1.4
83.01413	1.0
85.02959	3.3
87.00916	0.4
87.04536	0.8
89.02452	1.8
95.01394	0.7
99.00906	0.9
101.02460	3.1
113.02465	4.8
118.32235	0.4
119.03571	0.4
125.02495	0.6
138.65312	0.3
139.62581	0.3
159.03075	0.7
161.04558	2.9
165.09261	1.0
191.03578	0.6
262.98242	0.3
399.23911	3.7
400.24396	0.7
417.25351	1.4
423.63425	0.3
455.95657	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.312
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
53.80351	0.4
57.01776	0.5
57.95994	0.5
59.01377	0.7
69.03456	0.7
69.43900	0.5
85.06584	1.0
93.03455	2.1
98.22569	1.1
137.97356	0.5
211.03819	0.5
228.93922	0.6
250.59732	0.5
345.27820	0.7
379.26334	1.1
395.29517	9.8
396.29977	1.2
397.31152	29.3
398.31549	3.9
400.95602	0.6
415.32242	16.7
416.32324	2.2
429.30270	1.1
441.30176	4.9
459.31146	100.0
460.31467	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3485
Annotation	CHEBI:70457
Peak:m/z	Relative Intensity
79.43756	2.9
84.73839	3.1
96.03513	3.0
98.22566	7.3
102.45586	3.4
121.61581	3.1
229.00191	4.0
373.18121	3.8
459.34872	100.0
460.34946	15.6
471.73032	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	27.3
60.01680	2.2
61.98836	100.0
71.01376	10.2
71.31545	2.1
73.02937	2.7
79.55849	1.5
83.01381	2.4
85.02954	3.3
89.02433	7.6
101.02427	8.5
113.02454	4.9
119.03532	3.0
131.03467	1.7
151.68654	1.6
161.04573	4.4
167.10760	1.7
179.05634	2.5
209.80586	1.6
235.13423	1.6
236.13686	2.0
241.01508	1.7
271.02328	1.7
273.92542	1.5
315.18146	3.1
417.25076	3.8
458.23947	1.6
460.25562	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	14.7
59.37326	6.0
69.79850	24.8
69.80251	11.0
71.01373	10.8
74.48462	6.7
74.96349	5.8
85.02968	9.7
87.37920	5.8
89.02496	6.5
101.02419	8.2
104.16481	6.4
104.93406	6.9
121.02988	16.1
161.04617	20.3
166.06367	59.7
181.08742	100.0
213.24243	7.4
269.10220	23.8
328.66220	8.4
384.27560	6.9
393.73734	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22120	4.0
59.01385	100.0
60.01722	5.0
61.98832	34.3
71.01396	42.3
71.28613	5.8
73.02948	9.8
85.02959	17.6
87.00908	5.5
89.02447	52.9
99.00883	6.3
101.02467	30.9
113.02480	18.7
119.03539	16.8
123.04657	4.0
125.02484	10.8
131.03470	5.8
143.03465	5.4
149.04602	4.9
161.04642	19.5
167.10799	32.7
179.05641	6.4
195.06616	5.2
243.02910	17.9
244.03340	16.6
271.02408	14.8
272.02847	19.0
280.38232	4.1
285.04053	10.0
286.04559	9.8
287.05106	6.0
299.02133	5.4
300.02545	8.2
314.04297	13.5
315.04675	24.9
315.18280	9.1
316.05466	7.5
341.06805	5.7
400.23877	5.7
417.24945	35.4
460.09613	68.8
461.12506	4.8
461.23911	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38568	3.5
57.03420	3.6
59.01387	100.0
59.19469	3.9
60.01709	6.3
61.98831	23.7
68.99548	36.2
71.01389	46.4
73.02946	12.4
79.23781	3.4
83.01384	3.6
84.41185	3.5
85.02947	12.9
89.02464	33.7
93.03455	11.1
97.02966	4.5
99.00900	6.6
101.02448	29.9
113.02464	11.0
116.85150	3.6
119.03535	7.7
125.02424	6.2
135.04543	6.2
137.02484	20.6
161.04607	15.1
167.10796	24.2
179.05693	5.6
217.31915	4.3
243.03044	6.4
252.16948	4.8
270.02060	5.2
271.02591	4.9
315.04865	5.0
315.18155	9.8
329.13690	4.4
400.24048	7.9
417.24927	13.9
460.09900	19.4
461.24454	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66620	8.1
55.43239	8.2
56.52144	8.4
59.01381	56.0
63.62885	7.6
69.19944	52.9
71.01373	35.6
73.02956	15.0
78.16505	8.9
82.58552	9.3
83.01419	8.1
85.02975	17.6
86.00108	7.9
89.02453	32.6
91.47782	7.5
101.02451	36.8
109.85938	7.5
113.02423	11.8
119.03529	10.3
158.69516	8.3
161.04584	29.6
165.09200	26.9
166.09584	30.4
167.10756	14.9
207.02325	7.2
232.07703	7.8
234.91869	8.4
331.69415	8.1
360.14352	9.2
417.24960	100.0
418.25833	9.8
461.11014	17.2
470.38977	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59154	7.1
52.84911	7.8
56.78385	7.4
59.01397	52.0
68.10480	7.0
69.09291	13.9
69.09695	51.1
70.49400	7.5
71.01397	38.7
77.81062	7.4
85.02950	14.6
89.02439	19.4
94.57312	7.4
98.22546	17.3
101.02447	19.7
104.36828	9.4
109.94978	7.6
113.02492	24.1
115.80003	7.8
121.70874	7.6
124.60654	7.2
136.86378	7.9
156.07860	8.5
161.04564	35.7
165.09201	17.0
165.69019	8.1
166.09528	9.4
167.69165	9.2
242.84286	10.1
256.88330	8.0
362.18582	8.5
417.24945	100.0
418.25256	10.5
474.66614	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87996	8.9
57.03463	10.5
59.01387	100.0
62.14692	11.7
68.09739	9.7
69.05703	11.0
70.92178	23.1
71.01389	55.2
73.02937	13.4
78.32214	9.1
85.02943	33.7
89.02459	44.3
96.96023	17.5
101.02455	39.9
113.02458	23.1
149.04590	11.9
161.02415	11.4
161.04597	10.9
239.09389	20.3
341.02902	22.6
389.98370	11.7
401.14493	29.7
437.36929	12.0
461.20285	38.6
477.36618	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75999	5.8
57.03432	8.9
59.01384	96.3
61.48727	6.9
69.03448	7.6
71.01386	100.0
73.02943	30.8
75.00875	8.5
83.01399	16.1
85.02961	49.3
87.00877	8.9
89.02448	60.0
97.06673	7.9
98.21810	13.1
99.00875	14.4
101.02451	60.7
102.58921	5.5
113.02469	35.5
122.06260	5.9
131.03529	25.5
143.03430	6.7
149.04538	11.4
161.04568	66.3
175.07594	9.8
219.10239	12.3
225.11336	11.0
237.15123	11.0
254.93907	6.4
271.28711	7.1
281.14032	34.9
299.14883	35.3
329.16104	69.2
354.59781	7.7
355.18219	6.7
365.12967	7.0
399.24158	7.1
460.18607	8.5
461.20361	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07709	1.9
56.64375	1.9
58.91341	2.3
59.01094	5.0
59.01385	100.0
60.01711	7.1
61.98842	4.1
66.39542	2.1
69.05817	23.8
71.01383	31.6
73.02933	6.6
82.77941	2.2
85.00528	2.2
85.02955	7.8
86.41186	2.8
89.02454	20.7
101.02441	15.8
113.02456	9.7
119.03508	8.4
125.02490	4.6
130.08722	6.7
131.03528	3.8
149.04556	2.7
159.03050	2.5
161.04535	15.8
162.04883	2.6
167.10811	10.0
179.05647	5.2
255.19608	3.1
328.18427	3.5
400.24237	4.4
407.72736	2.3
417.24982	29.3
418.25452	2.5
460.25430	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.2
55.85672	6.0
59.01377	100.0
66.02652	5.2
69.42943	8.3
69.43285	42.2
71.01374	79.1
73.02954	21.4
78.52636	5.3
80.59193	6.1
81.04049	5.3
83.01411	8.7
85.02962	21.4
87.00874	6.6
88.68653	6.4
89.02444	49.0
94.71935	5.8
95.01362	7.8
99.00893	10.6
101.02440	46.7
103.30736	6.0
113.02468	29.0
119.03536	13.3
131.03523	19.2
138.55223	6.8
149.04564	12.3
161.04553	39.3
166.09534	6.2
167.03511	27.0
179.05621	9.6
185.39191	6.7
191.05562	10.8
221.11832	8.4
225.11320	12.1
296.35468	6.1
329.16071	33.2
334.38925	6.6
353.60474	7.1
396.50870	6.2
397.70776	6.4
401.18161	18.1
460.19211	6.7
461.19769	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81828	6.3
57.03440	6.7
59.01385	100.0
60.01707	6.2
61.98820	26.5
65.47060	5.6
71.01385	52.3
71.31313	7.5
72.99318	5.4
73.02940	9.5
85.02951	17.6
85.68348	6.1
88.98774	13.3
89.02451	46.5
95.82056	5.6
101.02438	34.3
113.02470	24.1
119.03513	23.8
125.02466	7.3
130.08711	11.2
138.63354	5.8
152.26787	6.2
161.04550	15.5
165.09213	83.8
166.09557	72.6
167.10788	94.5
183.34486	5.5
207.10297	7.1
241.01399	22.2
242.02254	17.5
243.02904	39.9
245.00870	10.2
257.04660	8.9
270.01758	31.2
271.02505	45.8
281.17517	11.3
285.04031	29.2
286.04611	5.6
298.01291	12.5
299.02005	25.2
300.02740	6.2
312.82993	5.7
314.04367	46.4
315.05276	8.6
401.22189	6.4
415.23611	12.4
417.24792	70.2
460.25616	13.1
460.95792	6.1
461.11642	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0731
Annotation	Demethylwedelolactone 3-O-glucoside
Peak:m/z	Relative Intensity
55.35193	1.0
57.03444	2.5
59.01377	14.5
63.02379	1.6
65.00325	2.4
69.02914	12.4
71.01379	12.8
72.99288	1.3
73.02928	3.6
75.39024	1.2
83.01402	1.9
85.02944	4.2
86.00093	3.9
87.00865	1.3
89.02450	10.2
97.02946	1.9
98.89435	1.1
99.00912	2.3
101.02460	8.3
109.03021	1.3
113.02456	5.1
116.92867	1.7
119.03477	1.8
125.02458	3.3
131.03506	5.2
136.85669	1.1
137.02493	2.0
145.02890	1.7
149.04561	3.6
151.00362	5.7
157.03134	1.3
158.03777	2.8
160.01880	1.4
161.02478	2.6
161.04544	8.2
163.04045	1.5
164.01149	1.4
169.28688	1.2
171.04416	1.7
172.01750	1.4
178.99876	3.2
185.02493	1.5
186.03232	8.5
189.01971	2.8
191.05731	1.1
198.03212	2.5
199.03978	2.3
201.01965	2.1
214.02750	11.6
215.03291	2.2
216.00688	2.7
218.02180	1.3
227.03447	3.6
239.12904	5.3
241.01434	79.4
242.02167	30.7
243.02975	8.4
245.00929	36.3
246.01093	1.5
255.03098	1.3
263.12753	1.6
270.01706	75.3
271.02454	54.3
272.02896	3.8
273.00345	2.2
282.01614	1.4
283.02524	2.9
284.37979	1.1
298.01212	32.4
299.01987	78.1
299.15173	2.0
300.02264	5.4
316.02072	1.4
329.16049	8.5
341.03137	2.2
425.20355	3.2
433.07898	6.5
461.07303	100.0
461.20206	4.7
462.07776	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80155	0.5
58.98278	0.6
59.01384	3.3
61.98826	0.8
68.02531	0.5
69.10206	5.3
71.01377	1.8
72.15589	0.5
73.02940	0.6
83.01387	1.0
89.02457	2.7
89.51969	0.6
92.02277	0.5
93.03471	1.5
98.21803	1.1
101.02460	1.5
107.01406	0.9
110.84575	0.5
113.02502	0.7
119.03525	0.5
125.02458	1.0
137.01143	0.5
137.02361	0.6
149.04689	0.5
149.79417	0.6
151.00378	1.7
153.17035	0.5
154.04248	0.5
155.05029	0.6
159.04469	0.7
161.02420	0.6
163.00412	0.7
167.10823	1.8
171.04510	0.6
173.02492	0.7
178.99838	0.7
179.05641	0.5
185.06087	1.5
187.03961	1.0
199.04068	0.6
211.03928	1.0
214.02600	1.0
215.03452	0.8
227.03513	27.9
228.03880	2.2
229.05057	1.8
239.03654	1.4
241.01451	1.9
242.02122	0.6
243.03110	1.2
245.00909	1.3
255.03001	30.8
256.03580	4.5
257.04407	0.6
270.01776	1.8
271.02475	6.3
284.03284	24.0
285.04065	100.0
286.04388	6.5
299.01974	9.9
300.02396	1.3
314.04440	1.8
415.23364	1.1
429.08282	45.8
430.08734	4.6
461.11148	16.6
461.23315	0.5
462.11331	1.7
487.71796	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80155	0.5
58.98278	0.6
59.01384	3.3
61.98826	0.8
68.02531	0.5
69.10206	5.3
71.01377	1.8
72.15589	0.5
73.02940	0.6
83.01387	1.0
89.02457	2.7
89.51969	0.6
92.02277	0.5
93.03471	1.5
98.21803	1.1
101.02460	1.5
107.01406	0.9
110.84575	0.5
113.02502	0.7
119.03525	0.5
125.02458	1.0
137.01143	0.5
137.02361	0.6
149.04689	0.5
149.79417	0.6
151.00378	1.7
153.17035	0.5
154.04248	0.5
155.05029	0.6
159.04469	0.7
161.02420	0.6
163.00412	0.7
167.10823	1.8
171.04510	0.6
173.02492	0.7
178.99838	0.7
179.05641	0.5
185.06087	1.5
187.03961	1.0
199.04068	0.6
211.03928	1.0
214.02600	1.0
215.03452	0.8
227.03513	27.9
228.03880	2.2
229.05057	1.8
239.03654	1.4
241.01451	1.9
242.02122	0.6
243.03110	1.2
245.00909	1.3
255.03001	30.8
256.03580	4.5
257.04407	0.6
270.01776	1.8
271.02475	6.3
284.03284	24.0
285.04065	100.0
286.04388	6.5
299.01974	9.9
300.02396	1.3
314.04440	1.8
415.23364	1.1
429.08282	45.8
430.08734	4.6
461.11148	16.6
461.23315	0.5
462.11331	1.7
487.71796	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85751	0.4
57.11113	0.4
59.01379	2.1
63.02390	0.5
65.00333	0.7
66.47138	0.3
69.01294	3.0
69.01708	1.4
71.01372	1.6
81.31323	0.4
83.01360	0.7
89.02430	1.7
94.43062	0.4
100.81983	0.4
101.02468	1.0
107.01369	0.9
113.02485	0.6
119.03566	0.6
125.02454	0.6
128.67770	0.4
148.01675	0.6
151.00380	3.8
153.01909	0.6
157.02985	0.6
159.23753	0.4
161.04683	0.5
171.04526	1.1
175.03972	0.6
183.04428	0.7
187.04079	0.8
197.02577	0.6
199.04025	6.0
200.04372	0.5
201.02020	2.0
203.03438	1.0
204.04179	0.6
207.10252	1.6
215.03529	4.2
216.04086	0.6
225.01868	0.5
225.11252	0.9
226.02689	0.6
227.03490	6.3
229.01492	0.8
241.01450	1.1
242.02216	10.9
243.02985	49.2
244.03403	3.6
255.02969	4.3
256.03452	0.4
257.04578	13.9
258.04865	0.7
270.01682	12.9
271.02475	51.2
272.02924	3.4
285.04062	26.2
286.04761	7.9
287.05197	0.9
298.01028	0.4
299.01993	17.9
300.02771	14.2
301.03195	1.2
314.04346	60.6
315.05075	37.6
316.05426	2.4
357.06250	1.6
415.23544	0.9
461.10947	100.0
462.11282	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.8
61.98833	1.2
65.00319	0.5
69.61816	2.8
71.01383	2.9
73.02911	1.0
85.02946	0.9
89.02440	2.8
91.75279	0.6
100.96971	0.5
101.02425	1.4
107.01405	0.6
109.02980	0.4
113.02428	0.9
116.63451	0.5
119.03503	0.6
125.02466	0.5
141.96577	0.4
143.05023	0.5
148.36803	0.4
151.00330	1.8
161.04515	1.1
167.10777	6.8
171.04477	0.6
175.03961	0.7
183.04527	0.5
187.03902	0.6
199.03993	3.5
201.01974	1.2
203.03386	0.4
215.03500	2.3
222.11340	0.4
225.02069	0.6
226.02727	0.6
227.03500	4.0
241.01381	2.2
242.02255	1.6
243.02969	6.1
245.00970	1.0
255.03142	0.8
257.04538	1.4
263.12805	0.8
270.01706	2.6
271.02490	52.0
272.02856	3.5
279.22415	0.4
282.01501	0.7
285.04095	2.4
298.01199	0.7
299.01993	100.0
300.02499	11.9
301.03293	0.5
314.04361	24.1
315.05057	4.2
325.82404	0.6
357.06284	0.7
415.23334	2.3
427.93643	0.5
461.10989	77.6
461.24088	2.4
462.11282	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	8.0
61.98824	2.3
64.99984	0.6
65.00330	0.8
65.76833	0.6
70.56277	1.0
70.56612	1.2
71.01391	2.8
81.92639	0.7
82.03884	0.6
83.01386	0.8
88.98811	1.8
89.02433	3.5
101.02507	1.5
107.01414	0.9
119.03539	1.0
125.02441	0.9
151.00420	2.7
160.64357	0.6
161.04529	0.8
167.10788	23.8
168.11232	0.8
169.01401	0.8
171.04524	1.1
176.26927	0.7
187.04158	0.8
199.04047	4.7
201.01997	1.3
203.03522	0.8
214.02856	0.8
215.03526	3.5
227.03561	4.1
229.01556	1.2
241.01453	2.3
242.02213	10.3
243.02995	45.8
244.03339	2.4
245.00940	1.5
257.04565	13.4
258.04919	1.4
270.01752	13.5
271.02502	49.9
272.02908	3.0
285.04062	26.4
286.04782	8.7
298.01331	1.5
299.02002	14.2
300.02783	5.3
314.04358	57.4
315.04999	8.6
461.11020	100.0
462.11438	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05087	0.5
59.01397	4.0
71.01389	4.2
71.29047	1.0
72.02032	0.5
73.02943	2.3
73.39047	0.6
83.01389	0.8
85.02966	2.9
87.00891	1.2
89.02454	0.9
93.03452	1.3
95.01394	0.7
99.00906	1.0
101.02458	2.1
108.02184	57.6
109.02993	15.0
113.02465	1.9
119.05045	0.6
120.00202	0.6
123.00874	0.7
123.04527	0.7
135.04543	1.0
137.02397	0.6
143.03476	0.6
151.04007	1.1
152.01163	100.0
153.01862	6.5
161.04596	1.5
163.03995	3.5
173.04578	1.5
177.01929	1.2
179.03488	0.8
207.02950	0.6
289.36407	0.5
461.13031	85.0
462.13449	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25586	0.5
59.01376	2.6
61.34757	1.0
66.06420	0.7
67.24396	0.7
70.60633	1.1
70.60982	1.1
71.01395	4.6
73.02931	2.2
75.78261	0.5
85.02944	2.1
87.00887	1.1
87.04475	0.7
89.02457	1.0
95.01413	1.1
96.74852	0.6
101.02462	2.1
108.02180	51.0
109.02995	10.2
113.02460	2.3
135.04515	0.7
151.04097	0.7
152.01161	100.0
153.01741	3.4
161.04524	0.8
163.04039	3.7
177.01933	0.8
179.03519	0.8
207.02975	1.0
285.07703	0.7
461.13031	97.8
462.13235	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	8.1
61.34769	0.7
67.13411	0.5
69.03449	0.5
69.32578	4.6
71.01389	6.7
73.02943	1.7
75.00878	0.5
85.02952	3.7
87.00890	1.7
87.04513	0.7
89.02453	2.4
95.01393	1.5
96.96001	0.6
96.96981	0.8
101.02465	3.1
104.14584	0.5
108.02182	62.2
109.02991	11.0
112.41583	0.5
113.02489	2.4
119.03521	1.3
123.00867	0.7
123.04510	0.6
125.02499	1.4
131.07170	0.8
135.04581	0.8
143.03419	0.8
151.04018	0.7
152.01161	100.0
153.01678	3.4
161.04547	1.4
163.03987	3.8
175.02428	0.9
177.01926	1.2
179.03516	1.1
180.67180	0.5
236.10838	0.6
271.80515	0.5
461.13031	93.8
462.13327	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.1
59.01143	1.7
59.01382	23.9
61.98815	3.4
66.01168	1.8
67.55061	1.8
69.26310	1.7
69.81409	1.6
71.01384	25.2
71.29410	1.8
73.02935	7.3
73.64925	1.6
83.01372	5.6
85.02953	9.0
87.00884	1.7
89.02445	19.5
95.01406	2.9
96.96008	3.7
97.02962	5.5
99.00860	4.5
99.92575	2.0
101.02448	13.9
107.05054	2.2
109.02985	3.5
111.04510	2.5
113.02447	16.8
113.06043	2.5
116.92941	3.7
119.03506	6.2
125.02453	5.2
125.06089	6.5
131.03561	3.3
135.04517	2.6
137.02414	3.1
139.07675	4.0
140.64232	1.9
143.03452	3.2
149.04561	7.9
149.09726	2.3
151.00362	7.6
151.07640	10.0
154.93149	1.9
158.03682	4.1
161.02464	2.9
161.04552	9.3
165.01935	2.8
168.03000	2.6
168.27902	1.8
169.66911	2.4
178.99963	3.1
186.03212	7.8
189.01959	5.5
189.05618	5.5
201.01968	2.1
201.12886	9.5
203.10765	2.4
204.11398	5.1
214.02664	13.2
215.03433	2.8
216.00655	3.4
218.02174	2.7
219.13931	7.8
225.05511	3.2
227.03445	5.2
228.11656	3.5
239.12883	3.2
241.01425	65.6
242.02200	25.0
243.02859	8.7
243.13892	10.7
245.00906	42.3
245.11855	17.6
246.01195	2.5
263.12863	52.9
264.13248	2.7
270.01697	80.9
271.02457	61.3
272.02832	4.3
273.00522	2.4
287.12909	25.2
288.13385	2.6
298.01166	32.1
299.01959	74.8
299.15021	4.5
300.02185	4.3
305.13956	44.0
316.02298	5.9
329.13922	5.7
329.16577	2.5
365.16312	2.7
417.24902	2.9
425.17883	3.6
433.07852	4.6
461.07278	100.0
461.19965	8.7
462.07394	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	3.3
59.01095	5.7
59.01381	100.0
62.62748	3.0
64.14222	2.6
64.21390	2.9
69.12673	5.6
69.13084	18.4
71.01386	82.3
72.99301	4.4
73.02945	11.2
74.06388	2.4
83.01376	10.0
85.02964	23.3
87.00874	13.1
89.02451	86.2
93.01926	2.7
95.01350	7.4
99.00845	2.7
101.02453	54.8
102.02744	3.0
113.02451	37.5
117.97324	6.2
119.03518	43.4
119.05022	27.8
127.23972	2.7
131.03564	15.4
131.04370	2.8
137.06110	10.9
143.03506	7.1
149.04546	3.6
161.04576	21.4
179.05620	36.6
185.83708	2.8
221.06662	44.6
263.07724	10.3
299.11380	41.5
461.16779	62.0
462.17184	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70990	1.5
55.01866	2.9
57.03447	2.7
58.00576	3.2
59.01382	100.0
69.38253	9.8
71.01386	86.9
72.99296	6.0
73.02965	13.8
80.25489	1.4
83.01395	8.6
85.02951	25.7
87.00888	10.2
89.02451	83.5
90.02734	1.7
95.01375	8.2
97.02982	1.7
99.00880	5.7
101.02446	56.7
113.02463	40.6
119.03505	35.9
119.05016	29.2
123.04552	2.3
125.02423	4.9
131.03534	15.6
135.03030	1.9
137.06116	11.2
143.03459	8.1
149.04594	3.5
153.05623	2.0
159.02995	3.4
161.04559	25.7
179.04102	3.0
179.05621	37.9
180.05850	1.5
191.05688	1.4
200.25674	1.4
221.06676	44.6
222.06949	1.8
227.14777	1.5
263.07721	13.2
299.11374	48.0
300.11649	4.1
461.16693	69.4
462.16867	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.8
57.03445	2.2
59.01092	3.1
59.01384	59.7
60.14767	1.7
69.32263	12.5
70.93208	2.1
71.01385	39.8
73.02952	15.9
74.43428	2.0
83.01370	6.5
85.02956	16.7
89.02450	5.8
95.01392	2.1
98.22522	3.7
99.00903	7.2
101.02451	36.3
113.02442	19.2
125.02428	1.8
125.48067	1.8
131.03491	24.7
143.03514	2.5
159.03046	4.0
161.04568	26.4
219.59604	1.8
250.38077	2.2
268.65491	1.8
269.10318	100.0
270.10608	6.8
401.14462	14.4
484.97546	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.7
59.01386	79.7
71.01384	74.8
73.02946	24.6
82.56936	3.7
83.01398	11.4
85.02961	32.2
87.00848	5.1
89.02448	40.8
92.56927	4.2
96.29630	4.2
97.02946	6.0
99.00882	8.5
101.02461	54.1
101.98502	4.1
102.13452	5.0
113.02458	40.8
119.03505	13.4
131.03560	5.1
133.60139	3.8
137.09772	5.4
143.03503	11.4
149.04523	6.1
159.03050	4.7
161.04565	52.8
165.05267	4.1
166.92494	4.3
179.05556	5.9
225.06157	5.8
234.41553	3.7
239.09056	8.3
246.02705	3.9
269.10330	100.0
270.10800	6.4
277.70352	4.1
297.77182	3.7
299.15115	8.6
329.15970	8.8
357.15512	4.1
401.14493	49.8
402.14862	4.8
461.20715	7.0
462.11896	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.2
57.03443	5.0
58.00599	4.3
59.01383	96.3
69.23535	4.0
69.23933	16.9
71.01384	64.5
72.24140	2.2
72.99313	9.2
73.02956	13.8
75.00840	2.7
83.01385	9.4
83.79655	2.3
85.02972	20.3
86.03276	2.0
87.00867	4.8
89.02451	100.0
91.01891	8.2
91.85155	2.4
95.01406	6.6
97.02974	2.5
97.10812	2.1
98.22586	4.3
99.00890	6.6
101.02455	52.6
113.02464	26.4
119.03498	20.8
125.02475	4.5
131.03516	49.5
135.00888	10.6
143.03542	6.7
149.04562	45.8
159.02972	3.1
161.04562	36.2
167.03523	26.9
167.10750	3.3
179.05630	16.0
179.10820	2.5
191.05614	28.9
192.05908	2.5
218.41675	2.3
221.06641	4.7
225.11456	5.0
251.07672	4.2
270.90399	2.8
281.13849	4.6
297.00266	3.3
299.15018	9.2
311.09924	3.6
329.16095	24.9
401.18054	4.2
415.16492	4.4
461.14261	3.8
461.20050	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54800	2.9
54.61978	3.4
59.01383	51.6
59.68493	3.1
61.98837	4.6
71.01367	10.4
71.31210	5.8
78.98338	3.5
89.02445	15.0
95.09649	3.7
99.00887	7.0
101.02435	5.5
121.02959	6.3
127.29927	3.3
149.04605	8.5
152.02232	3.8
158.96300	3.5
172.17249	3.7
243.03046	4.1
294.08929	4.0
295.06317	4.0
297.07794	6.9
307.06369	4.4
309.11316	8.5
311.09283	8.1
313.07141	14.3
324.06421	27.4
325.07355	23.8
325.10828	6.7
326.11295	5.1
328.09470	6.0
339.08667	34.0
340.09290	22.8
343.11792	7.8
354.10986	35.0
355.11807	37.7
356.09183	5.6
369.13403	35.4
370.14020	4.6
371.11398	24.9
386.13791	18.3
401.16086	100.0
402.16422	9.8
461.29370	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
57.03448	1.6
59.01383	74.7
69.63774	1.7
69.64070	5.3
71.01385	26.2
73.02947	6.0
74.76768	0.9
75.52930	1.0
80.21335	0.8
82.42357	0.8
83.01369	2.2
85.02960	12.7
87.00870	2.5
89.02455	3.3
93.03487	1.5
95.01382	2.2
97.78105	0.9
98.21802	1.2
98.22363	2.0
99.00881	3.0
101.02453	15.0
108.02180	58.7
109.02374	0.9
109.02976	13.5
113.02451	11.2
123.04464	1.1
124.05271	1.6
125.02451	1.7
134.03738	1.1
137.02457	1.7
139.07664	11.0
143.03540	2.2
151.03981	1.2
152.01160	98.7
153.01854	5.7
159.03006	3.6
161.04572	29.8
163.04053	4.6
167.03488	1.6
177.01918	1.1
191.10901	0.9
193.05023	0.8
207.03012	0.9
209.11775	1.5
220.16748	0.8
221.11812	1.4
235.09622	1.1
239.12891	11.6
255.33968	0.9
311.15033	2.2
401.18152	10.4
461.01907	3.9
461.13025	100.0
462.13416	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	5.7
56.44608	3.5
57.03458	4.5
58.00579	5.3
59.01383	100.0
67.22746	3.9
69.51774	21.7
71.01389	77.2
73.02952	23.1
75.00887	5.2
79.46992	3.9
82.72204	4.1
83.01369	9.6
85.02962	31.5
89.02455	46.7
95.01383	5.8
97.01017	3.8
98.22531	5.2
99.00872	8.4
99.04523	5.1
101.02446	52.4
113.02451	29.3
119.03506	20.0
125.06097	5.6
131.03482	9.5
135.00906	6.2
143.03534	6.9
149.04584	7.5
159.02960	4.1
161.04587	44.5
167.03429	11.6
169.18936	3.7
177.36938	3.7
179.05589	7.1
179.10776	9.0
180.79066	4.1
181.08694	13.2
187.04663	4.1
221.11829	10.9
225.11314	13.4
239.12917	8.8
241.12389	4.1
263.12747	4.9
277.10800	3.9
299.15039	6.0
300.02829	7.8
315.01620	4.5
329.16153	32.1
381.05600	5.3
401.18079	48.4
457.04236	4.5
461.20224	60.4
462.20547	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.1
57.03442	1.9
58.00584	2.6
59.01381	70.2
60.01713	0.7
64.41286	0.6
69.03450	2.3
69.07513	5.1
70.06874	0.7
71.01386	73.5
72.01723	1.7
72.99296	3.3
73.02953	21.9
75.00870	1.5
81.03454	1.0
83.01391	4.6
84.02254	0.7
85.02953	15.8
86.00096	20.2
87.00889	5.0
89.02449	100.0
90.02767	1.5
90.40546	0.7
95.01400	3.1
97.02961	4.7
98.21716	1.0
99.00886	24.3
101.02449	38.7
101.99600	0.8
102.02783	1.0
111.00838	0.6
113.02455	17.4
115.03999	2.8
115.92113	0.8
119.03516	6.3
122.41988	0.6
125.02450	10.8
131.03528	16.2
143.03549	3.4
149.04559	57.5
150.04887	1.7
159.03003	2.4
161.04561	13.6
168.03189	0.8
191.05627	10.1
193.12408	3.5
201.12823	0.8
204.11568	2.2
211.13474	3.1
219.13922	2.2
221.06708	5.5
233.06728	7.3
239.12897	18.4
241.01404	3.1
242.02063	1.0
245.00960	0.9
250.19641	0.7
250.92502	0.7
251.07735	5.0
263.12909	12.6
264.13162	1.1
270.01703	2.5
271.02438	2.7
293.08795	9.4
298.01276	1.8
299.01959	2.9
307.06497	0.8
311.09872	2.6
316.02063	0.9
329.16098	13.3
330.16788	1.2
366.38675	0.6
390.32269	0.7
461.07211	4.1
461.20309	74.8
462.07346	1.1
462.20621	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
59.01383	46.2
61.76457	1.7
69.14187	12.5
71.01389	42.1
72.99294	1.7
73.02950	13.1
78.48404	1.3
80.57802	1.6
83.01379	1.5
85.02964	10.5
87.00867	1.5
89.02452	64.9
95.01374	4.2
97.02941	2.4
99.00886	28.0
99.01483	2.7
99.04547	1.5
101.02453	12.2
113.02454	18.5
119.03449	2.6
125.02471	10.0
131.03508	12.4
143.03514	2.3
147.59297	1.8
149.04559	43.7
161.04572	6.8
167.10786	100.0
168.11096	4.8
191.05602	11.8
200.14905	1.4
233.06689	9.6
255.03043	8.0
283.02481	10.5
284.03250	4.4
293.08923	3.4
298.04803	5.2
299.05576	9.4
300.05255	1.8
379.34894	1.5
461.11145	4.2
461.30060	1.8
478.76324	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69788	0.9
51.01464	0.9
55.01870	1.0
59.01104	1.6
59.01382	28.5
67.27295	1.1
69.68078	5.7
71.01394	11.2
72.57217	0.9
73.02921	2.9
75.00851	1.6
80.02671	1.4
81.03446	2.2
83.01365	2.0
83.05010	3.7
85.02964	1.5
87.00891	2.3
89.02464	7.9
95.01439	1.3
97.02968	6.4
98.22530	1.5
99.00904	2.6
101.02454	9.0
107.05041	1.5
109.06602	31.0
110.03728	1.7
113.02455	4.8
119.03490	2.7
121.06586	2.5
123.08163	1.2
127.34264	1.0
135.08147	4.2
136.05324	1.6
142.02710	2.8
159.03055	1.3
161.04555	3.6
161.09641	1.3
163.11290	19.4
164.11629	1.0
179.05734	1.7
179.10872	1.0
181.12370	6.1
207.10274	100.0
208.10587	5.4
214.02826	1.5
225.11330	70.8
226.11601	4.4
237.15086	1.8
241.01468	7.3
242.02130	3.0
243.12285	3.3
245.00850	4.1
253.09285	19.9
263.13150	1.1
270.01691	8.2
271.02417	7.2
298.01230	3.5
299.02014	10.9
299.14987	4.1
300.15546	1.4
401.21808	3.3
415.23080	2.0
461.07462	9.8
461.20239	47.9
462.20593	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.9
59.01104	1.3
59.01381	20.1
68.80952	0.8
68.81335	0.9
70.11333	3.0
71.01398	9.6
73.02930	2.7
77.18060	1.0
80.00038	0.9
80.02667	1.1
81.03452	2.2
83.01363	1.5
83.05024	2.3
85.02930	3.1
87.00872	0.9
89.02454	6.4
93.03407	1.0
95.05006	1.1
97.02957	6.8
99.00867	2.3
101.02452	7.7
109.06595	34.6
110.03722	2.1
111.04497	1.4
113.02417	3.9
119.03480	2.5
121.06591	2.2
127.18509	0.9
135.08170	3.6
136.05280	2.4
142.02705	2.5
161.02451	1.1
161.04562	4.8
161.09714	1.6
163.11301	17.9
181.12355	5.5
189.09190	1.6
207.10268	100.0
208.10544	5.7
214.90356	1.0
219.13892	2.4
225.11324	59.7
226.11697	3.6
241.01375	2.6
241.07278	1.8
242.02068	1.4
243.12135	1.6
245.00803	2.0
253.09286	18.1
263.12750	3.8
270.01639	2.3
271.02469	4.8
271.66971	1.0
280.66183	1.0
298.01187	1.4
299.01794	4.4
299.14908	3.4
301.03485	1.4
380.35547	1.0
399.84637	1.2
401.21750	1.4
415.23102	1.8
461.06897	4.6
461.20120	51.9
462.20517	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2698
Annotation	Biatractylolide
Peak:m/z	Relative Intensity
50.29770	2.0
53.06874	2.1
59.01381	4.0
59.98529	15.9
71.31735	4.0
83.05009	5.7
83.57774	2.6
84.81844	2.3
85.02934	2.6
99.04534	14.8
111.04548	9.0
125.06117	2.8
138.06883	52.4
139.07629	10.9
153.05611	6.9
153.79269	2.2
189.40530	2.6
294.87103	2.8
323.20108	4.8
349.08896	2.7
373.29001	7.4
417.28418	23.7
419.97809	2.7
448.34521	2.9
461.27100	100.0
461.32556	6.0
462.27356	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01724	1.1
61.98841	0.7
62.92283	0.3
63.07013	0.3
69.24712	1.4
69.25113	0.7
71.01384	3.2
71.55190	0.3
73.02940	1.2
83.01402	0.4
85.02957	1.4
89.02457	1.0
97.02951	0.3
99.00928	0.3
101.02472	2.1
113.02453	1.7
131.54878	0.2
152.99646	0.9
161.04567	3.6
190.30486	0.2
299.02170	0.3
378.99188	0.3
401.25397	4.4
402.25897	0.3
445.24789	0.4
461.07828	0.4
461.28738	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3276
Annotation	Stoloniferone F
Peak:m/z	Relative Intensity
50.04885	1.1
70.23935	1.1
88.70810	1.2
90.19102	1.3
93.72984	1.3
98.21758	2.9
98.59290	1.0
112.54115	1.1
122.03716	2.0
125.90147	1.3
135.04538	39.3
136.05334	5.6
137.06107	15.5
148.05319	1.3
163.04021	45.3
164.04813	22.3
165.05582	19.9
178.06369	1.4
189.05737	1.4
196.03766	9.7
203.07141	2.6
218.09448	1.5
305.46994	1.2
403.28400	10.9
404.28995	1.5
431.31738	7.7
433.33249	5.0
443.31638	20.0
444.32037	1.5
446.30594	3.2
461.32751	100.0
462.33231	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01090	4.9
59.01384	100.0
63.83119	2.8
74.52906	2.6
77.56082	2.7
105.92079	2.4
110.83321	2.5
119.34104	2.7
132.92126	2.5
152.33455	2.8
155.86052	2.7
171.67612	3.2
228.85728	3.2
338.25494	3.2
451.41971	3.5
461.32587	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3639
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
53.74985	0.8
54.05227	0.7
57.09889	0.7
59.33804	0.8
64.99386	0.7
70.92871	1.4
71.05024	1.7
90.01357	0.7
100.53963	0.8
100.84489	0.7
108.19710	0.7
122.71507	0.7
133.34149	0.8
173.35312	0.8
202.42838	0.8
241.01361	0.8
299.01831	1.1
371.33481	1.0
417.28418	0.9
443.35266	1.2
461.36453	100.0
462.36795	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3638
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
54.09823	15.5
70.73074	31.9
70.73401	21.6
73.83908	16.9
100.72000	16.9
104.01900	16.2
117.95101	18.7
146.28593	17.5
325.98239	16.2
461.36365	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3639
Annotation	Stigmast-5-ene 3beta,4beta,7alpha,22alpha-tetraol
Peak:m/z	Relative Intensity
71.00739	2.6
73.64265	2.1
85.02958	4.5
99.04529	5.0
105.07109	5.3
121.06605	7.9
123.04521	9.0
133.06595	9.9
135.04494	3.0
136.05312	85.9
137.06042	9.4
149.06088	9.7
150.06879	79.8
150.36205	2.2
151.07658	29.9
161.06107	39.9
162.06425	3.2
163.07672	39.0
164.04787	19.1
165.05605	17.5
173.06047	5.2
177.05550	12.7
179.07155	89.6
180.07481	2.6
184.48198	2.2
188.08469	2.6
201.09195	2.8
202.09975	23.3
216.11513	6.1
229.80618	2.7
345.83063	2.8
415.32062	3.2
425.34424	4.6
428.33005	43.9
429.33383	3.8
443.35364	100.0
444.35553	13.8
461.36475	57.5
462.36740	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82995	13.5
59.01373	17.6
69.24707	100.0
69.25105	26.9
71.01384	21.6
79.57405	12.4
86.61131	14.7
89.02458	27.3
90.02769	14.3
120.27936	15.9
181.97284	14.0
190.82391	13.5
224.49443	14.6
293.08896	28.9
321.86371	15.5
462.11539	97.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.1
61.98833	100.0
70.35639	4.3
70.48190	7.7
75.17023	3.6
75.90855	4.1
78.95892	3.7
109.02029	3.9
130.92146	4.0
152.99638	5.4
163.65335	4.6
171.08568	3.9
191.05685	4.2
221.87856	3.6
271.02628	6.0
285.88004	4.0
300.02844	6.9
357.69284	3.9
463.08997	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	36.9
61.98514	4.5
61.98834	86.8
66.17525	2.2
71.01386	28.3
72.99301	5.6
73.02920	5.0
74.02060	5.0
74.02479	100.0
83.01408	3.2
85.02947	7.0
87.00889	3.7
89.02458	37.2
89.44164	2.7
101.02455	12.9
113.02441	5.7
119.03510	3.1
121.03024	2.5
125.02457	8.3
131.03506	6.0
149.04553	6.0
169.12355	52.4
178.99854	2.9
187.30605	2.5
209.11824	8.8
231.23619	3.2
243.02943	4.2
254.21301	2.8
255.02864	7.3
271.02402	17.3
293.08789	4.7
300.02759	23.5
301.03537	11.3
325.63007	2.5
355.49454	3.0
372.11633	4.9
462.27136	99.3
463.08914	14.6
463.27475	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57384	1.1
57.04074	1.0
59.01381	5.0
61.98837	100.0
63.86090	1.1
67.73949	1.0
68.14424	1.1
71.01404	2.3
71.32189	1.8
74.02486	2.9
78.95956	1.2
89.02494	1.1
101.02454	1.4
112.75936	1.2
142.07515	1.2
146.22394	1.2
151.00310	1.3
152.99602	1.3
178.67999	1.1
209.11719	1.4
255.03047	2.6
271.02429	6.0
300.02728	10.4
301.03641	3.3
302.43030	1.1
332.47510	1.3
462.27487	3.0
463.09045	6.5
463.19153	1.6
463.30197	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0885
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
51.21875	0.3
59.01375	1.3
63.02380	0.7
65.00319	1.0
69.27409	2.3
71.01393	1.9
73.02935	0.5
78.37800	0.3
83.01377	0.9
85.02943	0.6
89.02435	1.2
91.01927	0.5
95.01417	0.4
99.00885	0.7
101.02441	1.3
107.01407	3.0
108.02197	1.2
109.02943	1.1
110.03267	0.4
113.02467	0.6
121.02984	1.9
131.03522	0.6
135.00922	1.1
143.04968	0.4
148.01689	1.6
149.02434	0.4
151.00385	12.2
156.86481	0.3
161.04544	1.2
163.00377	2.4
164.01149	0.9
165.01971	0.4
169.01433	0.5
175.90958	0.3
178.99872	5.8
183.04474	0.5
187.04118	0.4
190.99887	0.5
192.00636	0.4
199.04030	0.9
201.01936	0.5
203.03514	0.5
211.04015	1.4
216.04286	0.7
226.02765	1.8
227.03467	3.4
229.04922	0.8
238.96577	0.3
243.03003	12.0
244.03406	1.0
245.04578	0.9
254.02219	2.5
255.02995	26.3
256.03421	2.4
262.79202	0.4
271.02493	59.7
272.02988	5.8
273.03912	1.1
283.02454	1.0
297.80176	0.4
299.01971	1.1
300.02765	100.0
301.03494	47.0
301.07175	0.6
302.03906	3.0
316.02420	0.4
331.17618	1.9
397.47079	0.4
463.08862	69.4
464.09183	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97211	0.6
63.02398	1.2
65.00333	1.2
69.23371	5.0
69.23697	0.8
83.01363	0.7
86.27615	0.5
92.09953	0.6
107.01393	3.2
108.02186	1.5
109.02940	1.7
121.02962	2.4
135.00845	1.3
148.01692	2.3
151.00392	11.6
163.00380	2.5
164.01132	1.0
178.99878	6.4
183.04573	0.7
192.00635	0.6
199.03856	0.9
211.04045	1.4
226.02705	1.9
227.03468	2.9
229.05101	0.7
243.02998	13.4
244.03476	1.0
245.04538	1.5
254.02223	2.4
255.03011	29.3
256.03326	2.2
261.60419	0.6
268.43713	0.6
271.02499	66.8
272.02878	6.7
277.36508	0.7
283.02533	1.4
286.34430	0.6
299.02039	1.3
300.02774	100.0
301.03500	56.2
301.07199	0.9
302.03900	3.6
343.04666	1.1
463.08862	84.3
464.09128	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0886
Annotation	Isoetin 5'-glucoside
Peak:m/z	Relative Intensity
50.24657	1.3
57.03454	1.6
59.01388	21.8
63.02394	3.4
65.00322	3.7
71.01385	20.3
72.99304	2.4
73.02940	5.5
83.01389	5.2
85.02954	8.9
86.77831	1.2
87.00875	2.3
89.02454	15.0
91.74479	1.2
95.01392	1.5
97.02944	1.7
99.00889	2.8
99.06606	1.6
101.02443	16.5
107.01386	7.3
109.02949	4.6
111.00970	1.6
113.02454	7.4
119.03484	2.5
119.27919	1.3
121.02947	5.5
124.01690	3.4
125.02428	3.9
131.03491	2.7
135.00887	1.9
136.97632	1.2
143.03484	2.2
145.03075	1.5
148.01582	1.3
148.54073	1.3
149.02516	1.6
149.04546	4.2
151.00388	29.6
152.01155	5.4
153.66269	1.5
158.03693	1.6
159.04466	2.4
161.02467	2.1
161.04582	14.3
163.00345	5.9
164.01140	4.9
167.05405	1.3
178.99866	15.7
179.05672	1.3
189.01912	1.6
191.05620	8.3
192.00713	1.5
199.04048	3.0
199.13524	1.2
201.09148	1.7
203.03471	2.1
209.11859	12.1
211.04002	2.3
214.02690	1.5
215.03452	3.0
216.04138	1.6
217.05151	1.6
226.02740	2.8
227.03470	8.6
227.12935	3.3
228.03912	2.1
229.04964	1.8
229.13548	1.9
241.01436	3.8
242.02176	4.6
243.03017	18.0
244.03677	3.2
245.00839	1.5
245.04561	3.7
253.09123	1.4
254.02138	3.0
255.02995	27.1
256.03522	3.2
270.01538	6.7
271.02493	73.3
272.03152	18.5
273.03909	4.5
283.02417	1.9
289.07108	2.6
289.61606	1.5
298.01245	5.3
299.01974	37.5
300.02750	75.7
301.03522	100.0
302.03964	7.2
303.45569	1.3
316.02240	15.3
317.02957	8.9
331.17621	20.9
375.34583	1.3
419.10110	1.8
445.07831	38.2
446.08093	5.2
463.08783	68.4
463.21860	5.2
464.08899	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0889
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
57.03448	3.5
59.01385	12.3
61.81129	1.3
63.59558	1.2
68.99274	1.2
69.20031	2.4
69.20433	6.8
71.01389	15.2
71.66570	1.1
72.99300	2.1
73.02940	2.6
73.76937	1.3
75.00869	1.9
81.03465	1.8
83.01398	1.9
85.02942	3.0
87.00883	31.4
89.02448	3.0
90.53271	1.1
97.02965	2.8
101.02477	2.2
105.03413	1.4
109.02929	3.9
113.02454	1.7
115.00385	48.8
117.97273	1.6
119.96852	1.7
120.99644	4.0
121.02985	2.5
123.04527	5.5
125.02453	23.9
133.03059	1.2
135.03008	7.3
137.02426	3.4
139.00360	9.4
149.02451	4.1
151.00331	1.7
151.03932	3.0
154.02704	5.5
161.02467	3.5
161.04591	2.0
161.05943	1.1
163.00401	2.2
165.01915	2.8
167.03482	3.1
167.07072	1.4
169.05042	5.4
174.01576	1.6
175.02490	100.0
176.02908	3.0
177.01979	7.1
178.02693	2.0
179.03481	4.0
191.05521	2.4
193.01335	1.5
199.03998	1.3
202.99863	1.4
203.41338	1.2
204.00591	2.0
205.01376	2.9
213.05901	1.4
215.08405	1.7
241.05028	1.3
245.08176	2.9
257.09219	1.7
283.10962	2.6
289.07144	4.1
325.11859	2.7
327.05136	12.2
345.06107	2.1
351.65027	1.2
377.15414	1.3
419.16104	4.4
463.15079	16.7
464.15399	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63358	0.5
59.01372	2.7
71.01387	1.2
71.08828	1.2
79.09450	0.7
81.03462	0.9
83.01425	0.7
89.02467	1.0
95.01430	1.5
97.02935	1.0
98.22223	0.8
109.00498	0.6
121.47633	0.6
123.00894	7.9
124.01672	28.2
125.02461	17.6
126.02804	0.8
149.99593	37.1
151.00172	1.3
151.04065	0.6
159.00273	0.6
167.03412	0.6
168.00650	83.9
169.01366	5.3
179.12953	0.6
182.93570	0.5
220.54451	0.8
463.10944	100.0
464.11285	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40907	0.5
55.01861	1.8
57.03429	0.7
57.50899	0.5
58.00573	1.1
59.01381	15.0
62.51024	0.5
69.03441	1.6
69.24447	1.9
69.24870	1.7
70.54951	0.5
71.01385	21.2
72.91792	0.6
72.99293	1.1
73.02939	5.2
83.01399	3.3
84.70078	0.5
85.02479	0.7
85.02956	8.0
87.00864	1.4
89.02451	11.5
95.01363	1.9
97.02961	5.3
99.00893	3.8
101.02454	14.3
104.60464	0.5
105.03485	1.0
107.01393	1.3
109.02982	1.0
113.02457	6.4
117.03437	1.0
119.03504	2.3
121.02966	1.3
125.02456	19.5
131.03513	3.1
132.02187	18.1
133.03001	4.2
134.03751	31.1
135.04538	0.6
137.02448	2.4
143.03502	2.0
143.22070	0.6
149.02492	0.6
149.04581	1.6
149.06088	7.2
151.00395	5.2
157.40857	0.5
159.02959	1.5
160.01671	83.8
161.01988	4.1
161.04565	8.3
163.00372	0.8
169.12457	0.7
171.07434	0.6
175.04015	100.0
176.04387	4.0
177.01801	0.5
178.02768	3.2
178.99904	2.1
179.03436	2.0
179.05533	0.6
191.05595	1.4
191.07124	0.7
193.05070	26.4
194.05440	1.0
202.02737	0.7
217.05083	1.2
227.03590	1.1
243.03041	1.9
249.07797	0.6
255.02930	3.4
265.07379	0.7
271.02530	9.1
272.03162	0.9
277.07281	0.9
293.08780	0.6
299.02032	1.1
300.02719	15.3
300.05856	1.0
301.03549	21.8
302.03922	1.1
322.07306	0.9
331.17590	14.3
332.17902	0.8
337.09299	57.2
338.09604	4.6
380.54681	0.7
396.93689	0.6
445.07822	8.9
446.08350	1.1
448.10193	0.9
454.02811	0.7
463.12726	35.0
463.25903	1.6
464.13187	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
55.65777	0.8
57.03440	1.5
59.01388	17.1
65.00324	0.9
65.96333	1.0
67.12378	1.2
69.03452	2.0
71.01384	20.2
73.02962	4.9
78.94770	0.9
80.85123	0.9
83.01404	2.9
85.02960	7.6
87.00880	1.5
89.02450	13.2
93.03478	1.3
95.01424	1.2
97.02459	1.0
97.02955	5.0
98.44099	0.9
99.00893	3.3
101.02454	11.1
107.01392	2.4
108.02166	1.7
109.02966	2.3
111.00884	1.1
113.02463	6.0
117.03468	1.2
119.03493	1.7
121.02986	2.5
123.00892	0.9
123.04539	1.9
124.72933	1.0
125.02451	16.3
131.03534	3.6
132.02182	19.3
133.02954	3.8
134.03748	38.1
135.04478	1.3
137.02478	3.8
139.03973	1.2
149.04570	4.1
149.06096	8.4
151.00389	8.9
153.02034	1.5
160.01671	86.2
161.02173	2.3
161.04570	2.5
163.00346	2.2
175.04013	100.0
176.04335	5.2
178.02760	4.1
178.99889	3.2
179.03487	2.2
183.10323	1.1
191.07159	1.3
193.05061	24.5
194.05495	1.2
195.85571	1.0
217.05244	1.5
221.06534	2.1
227.03564	1.6
235.06194	1.6
243.03040	4.5
245.04579	1.1
255.03009	8.9
263.12973	1.3
265.07129	1.5
271.02499	20.1
277.07245	1.1
283.06235	1.5
299.02203	1.2
300.02747	32.1
301.03537	43.1
301.20114	2.7
302.03964	2.1
316.00574	1.3
331.17615	2.9
337.09305	50.1
338.09625	4.6
445.07712	16.9
446.08417	2.2
448.09900	1.6
463.13010	34.2
463.26389	8.2
464.12823	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36883	1.4
55.67113	1.3
57.03447	14.2
59.01385	18.5
66.37154	1.6
69.03460	2.5
69.04501	12.1
71.01389	16.4
72.77940	1.6
72.99284	1.8
73.02944	2.5
75.00861	3.1
78.10974	1.5
81.03451	4.7
83.01400	8.3
83.62792	1.3
85.02941	4.3
87.00877	24.4
89.02454	3.5
93.03457	2.7
95.01367	2.3
95.05038	3.7
96.96044	2.9
97.02952	6.4
99.00873	2.7
99.04536	1.7
101.02426	2.2
108.02187	1.7
109.02952	21.2
113.02438	2.4
115.00388	41.0
117.97296	2.1
119.03551	2.2
119.96885	3.7
120.99673	22.5
121.02979	2.9
123.04538	21.1
125.02459	65.6
126.02799	2.5
135.03024	3.8
135.04532	1.7
137.02429	16.7
139.00391	10.4
139.04042	3.7
144.04584	3.9
145.02971	2.0
147.04384	1.5
149.02446	5.3
151.00362	3.1
151.04077	9.2
154.02722	6.4
159.02956	1.7
159.04477	2.2
161.02428	4.4
161.04593	3.7
161.06024	2.6
162.03249	2.1
163.00401	2.3
163.04007	2.4
164.01144	3.3
165.01929	4.2
167.03494	5.3
167.51552	1.3
169.05032	6.1
174.08015	5.2
175.02496	84.3
175.08742	3.5
176.02859	3.0
177.01920	7.7
178.02609	2.1
179.03543	8.4
191.05623	8.8
198.80498	1.4
199.04024	2.0
202.99884	2.0
203.07135	4.0
204.00592	1.6
205.01361	2.2
235.39803	1.3
236.07114	2.8
239.05716	1.5
241.05016	1.8
245.08153	7.2
250.08896	2.0
252.06618	2.6
253.07460	3.0
264.06631	1.6
265.09863	2.9
266.08218	4.8
267.09021	3.1
281.09357	1.8
283.06216	2.1
283.10883	17.4
289.07178	7.3
295.10883	2.3
297.12363	3.3
323.10373	4.3
325.11856	15.7
326.12192	2.4
327.05032	12.5
335.13992	2.0
345.06165	2.5
361.12228	1.9
377.15045	4.5
379.12970	11.1
395.16296	3.5
419.16159	25.6
420.16330	2.8
445.14310	3.0
463.15161	100.0
464.15292	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1509
Annotation	Chaetomugilin B
Peak:m/z	Relative Intensity
55.36883	1.4
55.67113	1.3
57.03447	14.2
59.01385	18.5
66.37154	1.6
69.03460	2.5
69.04501	12.1
71.01389	16.4
72.77940	1.6
72.99284	1.8
73.02944	2.5
75.00861	3.1
78.10974	1.5
81.03451	4.7
83.01400	8.3
83.62792	1.3
85.02941	4.3
87.00877	24.4
89.02454	3.5
93.03457	2.7
95.01367	2.3
95.05038	3.7
96.96044	2.9
97.02952	6.4
99.00873	2.7
99.04536	1.7
101.02426	2.2
108.02187	1.7
109.02952	21.2
113.02438	2.4
115.00388	41.0
117.97296	2.1
119.03551	2.2
119.96885	3.7
120.99673	22.5
121.02979	2.9
123.04538	21.1
125.02459	65.6
126.02799	2.5
135.03024	3.8
135.04532	1.7
137.02429	16.7
139.00391	10.4
139.04042	3.7
144.04584	3.9
145.02971	2.0
147.04384	1.5
149.02446	5.3
151.00362	3.1
151.04077	9.2
154.02722	6.4
159.02956	1.7
159.04477	2.2
161.02428	4.4
161.04593	3.7
161.06024	2.6
162.03249	2.1
163.00401	2.3
163.04007	2.4
164.01144	3.3
165.01929	4.2
167.03494	5.3
167.51552	1.3
169.05032	6.1
174.08015	5.2
175.02496	84.3
175.08742	3.5
176.02859	3.0
177.01920	7.7
178.02609	2.1
179.03543	8.4
191.05623	8.8
198.80498	1.4
199.04024	2.0
202.99884	2.0
203.07135	4.0
204.00592	1.6
205.01361	2.2
235.39803	1.3
236.07114	2.8
239.05716	1.5
241.05016	1.8
245.08153	7.2
250.08896	2.0
252.06618	2.6
253.07460	3.0
264.06631	1.6
265.09863	2.9
266.08218	4.8
267.09021	3.1
281.09357	1.8
283.06216	2.1
283.10883	17.4
289.07178	7.3
295.10883	2.3
297.12363	3.3
323.10373	4.3
325.11856	15.7
326.12192	2.4
327.05032	12.5
335.13992	2.0
345.06165	2.5
361.12228	1.9
377.15045	4.5
379.12970	11.1
395.16296	3.5
419.16159	25.6
420.16330	2.8
445.14310	3.0
463.15161	100.0
464.15292	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05682	0.9
57.03434	1.8
59.01384	100.0
60.01728	1.3
61.98833	3.0
66.17071	0.8
69.20017	1.7
69.20423	6.4
69.70908	0.9
71.01384	23.2
72.99319	1.5
73.02947	2.7
83.01411	2.7
85.02949	5.7
87.00883	2.3
89.02451	33.0
93.03451	1.7
95.01372	1.3
99.00896	1.0
100.90166	1.1
101.02448	12.5
101.21333	1.0
102.41997	0.9
109.02965	3.1
111.04513	1.2
113.02445	9.9
119.03510	13.6
121.02959	1.3
123.04553	1.5
125.02480	8.0
131.03552	1.1
132.42317	0.9
133.02980	1.2
135.04503	2.2
137.02451	2.0
143.03514	2.8
149.02531	1.1
149.04611	1.2
150.03316	1.0
151.04013	2.1
161.02518	1.2
161.04549	4.2
165.09221	3.7
166.06364	4.0
173.04596	2.0
174.03290	1.3
175.04066	1.5
179.05606	7.5
181.08760	5.0
185.05962	1.2
187.03976	1.1
191.05594	7.8
229.05206	1.0
241.14587	0.9
243.02864	1.0
245.08199	3.2
271.02295	1.2
271.06219	1.2
289.07526	4.6
289.10263	1.1
300.02847	1.2
301.03528	1.4
301.12766	1.1
301.16187	1.1
343.13928	1.3
373.18790	2.6
403.19888	1.3
463.08853	1.7
463.15097	3.2
463.21875	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.9
59.01385	7.7
62.06995	0.5
63.10594	0.6
64.44569	0.5
69.29922	0.6
71.01388	7.5
73.02966	4.3
83.01406	0.8
83.05024	5.0
84.02165	0.7
85.02956	3.3
89.02441	5.0
95.05065	0.7
99.00835	0.6
101.02440	6.8
113.02470	3.1
117.39016	0.6
119.00605	0.6
119.03500	1.7
125.02419	0.8
129.49594	0.7
131.00488	0.7
135.59264	0.6
140.12035	0.6
151.00368	2.3
155.43120	0.5
161.04568	4.2
163.00398	0.8
163.11302	3.6
165.12834	2.7
178.72406	0.6
178.99847	1.7
179.05502	0.7
191.05719	1.0
191.10835	0.8
209.11841	100.0
210.12228	5.1
219.13927	1.1
227.12903	18.5
227.15106	1.2
228.13284	1.1
235.08325	0.7
239.16606	1.4
241.14488	4.0
243.02928	2.9
253.09317	12.8
255.02991	7.1
263.12833	4.2
271.02493	16.0
272.02802	1.2
300.02750	23.0
301.03522	12.7
301.16583	8.3
302.03897	0.7
318.66959	0.7
331.17673	2.6
380.63470	0.6
463.08823	15.8
463.21790	9.6
464.09174	1.4
464.22250	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.9
55.74918	0.2
57.03453	3.5
58.00602	1.4
59.01384	24.8
64.58048	0.3
69.03450	0.7
69.59005	1.5
71.01385	56.3
72.01740	0.7
72.99303	1.7
73.02950	20.2
75.00861	0.9
81.03468	0.4
83.01394	8.1
85.02955	28.1
86.03316	0.3
87.00871	2.2
89.02457	7.3
95.01396	4.0
96.71096	0.3
97.02947	1.8
99.00887	9.1
99.04555	0.2
101.02448	46.5
102.02803	0.6
105.31644	0.3
111.00859	0.6
113.02459	24.9
114.02786	0.7
119.03521	1.2
125.02444	1.7
129.01945	1.1
131.03516	16.4
143.03514	3.8
149.04550	0.5
159.02992	7.0
160.03282	0.3
161.04568	49.0
162.04919	1.4
169.12228	0.4
205.03482	1.0
209.11858	0.4
227.03520	0.3
255.03058	0.8
331.17627	100.0
332.17960	8.5
355.26733	0.3
375.16559	1.2
463.08771	1.2
463.21899	6.0
464.22397	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.0
55.04753	0.6
56.99831	0.6
57.03450	6.4
58.00600	2.5
59.01383	59.3
60.01712	0.7
69.03461	1.3
71.01385	86.7
72.01722	0.6
72.99307	2.7
73.01173	1.0
73.02950	23.0
75.00864	1.2
81.03445	1.1
83.00931	1.2
83.01394	11.8
85.02956	32.3
86.03318	0.9
87.00870	4.9
89.02451	38.3
89.22839	0.7
91.01891	0.6
95.01392	5.0
97.02962	3.0
98.22560	1.1
99.00890	11.1
101.02450	61.6
102.02833	1.0
111.00888	7.3
113.02455	27.7
114.02843	0.8
115.04028	2.0
119.03511	2.9
125.02440	5.4
129.01941	1.5
131.03510	22.7
143.03531	6.0
149.04552	11.8
159.02998	6.9
161.04568	41.4
162.04889	1.2
169.38176	0.6
177.96835	0.7
179.05592	0.9
191.05621	2.3
209.11803	3.3
213.05898	0.9
215.05598	1.3
224.50349	0.6
227.12810	1.2
233.06728	5.2
255.03009	1.6
293.08780	2.2
313.16489	1.1
331.17618	68.7
332.17966	4.3
375.16556	0.8
403.95404	0.8
463.08432	3.7
463.21860	100.0
464.22229	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60320	0.2
55.01879	1.3
57.03454	1.3
58.00603	1.3
59.01383	27.9
61.98827	0.9
63.02406	0.8
65.00326	1.4
65.00617	0.3
67.38555	0.2
69.03455	0.4
71.01386	29.4
71.31271	0.5
72.99318	1.4
73.02951	5.7
83.01389	4.0
83.77113	0.2
85.02956	9.7
87.00867	1.2
89.02449	23.1
90.02808	0.2
93.03465	0.5
95.01389	2.0
97.02959	0.7
99.00887	3.4
101.02451	19.9
102.02755	0.4
107.01401	3.0
108.02194	1.8
109.02956	1.9
111.00879	0.4
111.04517	0.4
112.01355	0.2
113.02459	11.8
114.02793	0.4
119.01373	0.3
119.03513	6.8
121.02959	2.3
121.06604	0.2
123.00877	0.4
124.01661	0.5
125.02450	2.1
129.01952	0.7
131.03513	10.8
132.03854	0.3
135.00879	1.3
137.02444	0.5
139.03973	0.3
142.23901	0.2
143.03531	2.3
145.02914	0.3
148.01662	1.7
149.02484	0.8
149.04562	6.1
150.04886	0.3
150.15077	0.2
151.00383	11.8
152.00819	0.3
153.01907	0.3
155.05013	0.3
157.06618	0.2
159.02997	1.3
159.04439	0.5
161.04570	13.3
163.00383	3.5
163.03972	0.5
164.01172	1.1
169.01431	0.5
169.12418	0.2
169.89755	0.3
171.04539	0.3
173.04555	1.4
173.05934	0.4
174.03252	0.4
175.03969	0.6
178.99870	5.7
179.05620	3.6
183.04535	0.7
187.04047	0.7
188.04762	0.4
189.01979	0.3
190.99969	0.4
191.05615	7.3
191.07364	0.4
192.00713	0.5
195.04575	0.3
198.03220	0.7
199.03993	1.0
199.13484	0.3
201.01997	0.4
201.05559	0.6
203.03508	0.5
205.03506	0.3
209.11839	0.5
210.66405	0.2
211.04015	1.3
213.01926	0.3
214.02779	0.3
215.03464	0.8
216.04320	0.5
217.08786	0.5
226.02724	2.4
227.03519	3.9
227.12929	0.9
228.04088	0.5
229.04945	0.6
233.06563	0.3
239.03487	0.4
241.14610	0.3
242.02119	0.4
243.02992	14.2
244.03391	1.2
245.04497	1.0
245.08263	0.3
254.02206	3.5
255.02995	30.3
256.03375	2.4
259.02451	0.3
271.02487	70.6
272.02902	7.3
273.04056	1.1
275.24567	0.2
283.02527	1.2
287.01691	0.5
289.07220	0.5
299.02011	1.2
300.02759	100.0
301.03476	43.7
301.16531	0.8
302.03842	3.1
316.02219	2.0
317.02951	0.6
331.17636	17.5
332.18054	1.3
343.04468	0.4
361.18591	0.3
381.84360	0.3
403.19574	0.3
463.08835	58.9
463.21729	3.7
464.09158	7.8
464.22305	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.3
57.03440	1.3
58.00618	0.7
59.01380	15.3
63.10088	0.7
69.02499	7.2
69.03474	1.1
71.01389	25.1
72.99297	0.8
73.02949	8.6
74.91238	0.6
75.00875	0.8
80.02686	1.1
81.03487	1.8
83.01398	3.7
83.05042	4.5
84.02196	1.2
85.02957	8.5
87.00893	1.1
89.02453	12.4
95.01402	1.8
97.02959	0.9
98.21710	1.4
99.00874	3.5
101.02453	17.5
111.00905	0.9
113.02447	10.2
119.03544	2.2
125.02441	1.1
125.06033	0.7
128.12860	0.6
131.03479	3.1
135.08157	1.0
143.03523	1.3
149.04558	2.8
151.00368	1.1
154.01492	0.6
159.02968	1.3
161.04561	14.1
163.11308	2.6
165.12883	2.6
170.16263	0.8
185.79575	0.7
191.05501	0.8
191.10864	1.8
196.76079	0.6
209.11838	100.0
210.12169	5.3
216.75395	0.7
221.41634	0.9
226.03055	0.8
227.12881	16.6
233.06606	0.9
243.02989	1.3
253.09314	11.6
255.03001	2.7
261.67059	0.7
271.02499	5.8
300.02777	10.1
301.03616	4.6
315.01282	0.8
331.17630	14.4
332.17975	1.1
345.14362	0.7
374.25211	0.7
451.11490	0.7
463.08853	7.5
463.21774	22.3
464.09335	1.1
464.21735	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01723	1.1
55.01995	1.3
57.03303	0.9
57.03551	1.4
58.00454	0.6
58.00696	1.0
59.01179	10.1
59.01516	22.4
60.99404	0.7
61.98934	1.0
63.02510	1.4
63.91381	0.6
65.00464	1.6
68.82730	0.5
69.03565	0.9
69.19213	4.0
69.19630	1.9
71.01091	9.5
71.01537	30.6
72.99045	0.6
72.99429	1.1
73.02641	2.7
73.03105	9.9
81.03173	0.6
81.03587	1.0
83.01012	1.3
83.01559	5.4
83.75058	0.6
85.02547	3.2
85.03127	14.6
86.00221	1.2
87.00484	0.8
87.01057	3.6
88.98991	5.3
89.02007	4.6
89.02619	23.5
93.03626	1.7
95.01030	0.7
95.01588	1.9
97.03093	1.2
99.01065	4.2
101.02634	25.6
107.01584	5.2
108.02304	1.2
109.03140	3.9
111.01064	1.7
111.04694	1.1
113.01786	1.2
113.02644	13.0
115.04140	0.7
119.03700	5.3
121.03159	5.4
123.00983	0.7
123.92141	0.7
125.01731	0.9
125.02657	4.2
127.04143	1.1
129.02075	0.7
131.03699	10.0
134.03922	0.9
135.01051	1.1
135.04704	0.7
137.02615	0.7
139.04156	0.7
143.03685	3.7
147.04523	0.7
148.01840	1.6
149.02632	1.2
149.04544	9.8
151.00381	20.9
152.01004	0.7
159.03154	2.3
159.04575	0.9
159.06734	1.4
160.05432	1.1
161.02641	0.9
161.04553	18.3
162.05025	0.9
163.00453	4.8
164.01314	1.1
169.01511	0.6
171.04691	0.7
173.04703	1.4
175.04123	1.0
178.99879	9.2
179.05656	2.8
183.04599	1.4
183.08302	2.2
185.06232	0.9
187.04184	2.1
191.05635	23.9
192.00781	1.0
199.04112	1.7
199.07886	0.7
201.05675	0.8
201.09187	5.6
209.11858	9.8
211.03978	2.9
217.08827	1.1
226.02863	1.8
227.03506	4.8
227.07318	0.8
227.12938	3.2
228.04066	0.9
229.05209	1.4
233.06789	1.5
239.03653	1.2
240.04277	0.8
241.05118	4.9
242.02385	0.8
242.05800	1.2
243.02997	11.2
243.05173	0.8
244.03560	1.0
245.04521	3.1
245.08308	2.1
249.09979	0.9
253.09348	1.7
254.02269	3.0
255.03008	21.8
256.03510	2.2
257.08252	4.6
258.08292	0.7
263.12997	1.1
268.03860	0.7
271.02502	53.4
271.05939	2.8
272.03046	5.1
273.04095	2.1
283.02509	2.9
283.05969	0.9
287.02106	1.0
289.07217	10.6
290.07538	0.9
293.08789	0.8
299.01843	3.8
300.02759	79.3
301.03546	100.0
302.03900	6.9
313.16739	0.9
315.01587	1.2
316.02252	1.7
329.86084	0.6
331.04599	1.3
331.17621	26.4
332.17880	2.2
419.29874	1.2
445.07773	40.8
446.08047	5.2
463.08337	27.7
463.21716	16.2
464.08340	3.1
464.21719	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
57.03435	0.9
59.01382	43.7
61.10545	0.8
62.07314	0.8
63.50305	0.8
69.53088	5.0
71.01388	26.8
72.01720	1.4
72.99315	0.8
73.02950	8.6
75.00864	0.8
78.95918	1.7
78.96368	0.7
83.01381	4.3
85.02955	13.3
87.00895	2.7
89.02441	7.1
95.01408	2.0
96.96043	1.0
96.96958	2.1
98.22398	1.4
99.00891	2.9
101.02454	15.1
106.11563	0.8
108.02183	43.3
109.02494	9.0
109.03033	5.3
110.02583	5.5
110.03342	1.2
113.02461	11.2
115.00364	1.4
119.03502	2.7
125.02420	4.2
133.02994	1.7
135.04495	0.8
137.02463	1.3
139.07713	1.6
143.03502	2.3
149.04468	0.9
149.99683	0.8
151.04044	0.9
152.01166	62.0
153.01500	23.5
154.01611	19.9
159.02979	2.9
161.04567	24.7
163.04015	2.3
165.01944	0.9
168.00662	1.9
173.04663	1.3
175.02538	2.2
179.05620	1.3
191.05629	2.9
241.14465	11.4
242.14682	1.0
255.12465	1.1
258.97385	1.0
273.08090	0.9
289.07312	0.9
300.02701	0.8
317.08102	1.1
389.60352	0.9
403.19769	21.2
404.20294	1.9
420.68152	0.9
463.13663	100.0
464.13620	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59377	1.1
55.01878	5.3
56.17807	1.0
57.03449	5.3
58.00593	4.0
59.01384	94.9
59.05256	1.0
63.02399	2.0
65.00314	2.1
69.00087	4.9
69.00517	5.2
69.03450	2.0
71.01387	98.6
72.99324	6.2
73.02950	30.3
83.01390	13.7
85.02960	34.0
87.00887	8.0
89.02452	90.0
89.29546	1.2
93.03484	2.2
95.01406	9.4
97.02970	5.4
99.00886	41.5
101.02450	65.2
107.01398	6.3
108.02208	1.2
109.02968	5.1
111.00893	5.1
113.02464	38.5
115.04020	3.4
116.94259	1.1
117.30202	1.4
119.03510	20.5
119.47147	1.3
120.03889	1.4
121.02963	4.4
123.00906	11.8
123.04537	2.1
124.01682	7.1
125.02470	11.4
131.03519	24.5
134.03737	5.0
134.04631	1.3
135.00916	2.3
137.02461	4.5
143.03508	10.1
148.01689	1.9
149.02519	2.1
149.04568	32.4
151.00375	19.8
159.03003	3.2
159.04240	1.2
160.01669	5.8
161.04573	39.0
163.00389	5.0
175.03993	6.0
178.99873	9.2
179.05652	5.1
183.04433	1.3
191.05609	18.4
193.05104	6.0
199.03896	1.2
211.04039	3.0
221.06705	6.6
226.02788	1.6
227.03558	4.1
229.04868	1.2
233.06677	10.0
243.03050	9.6
244.03423	1.6
245.04642	3.0
254.02266	3.5
255.00386	2.4
255.02942	20.8
255.05362	1.9
256.03430	2.1
265.14435	2.8
269.04602	4.4
270.26315	1.1
271.02499	50.5
272.02982	4.8
273.03903	2.5
283.02493	3.0
293.08765	3.6
299.01907	1.4
300.02765	68.6
301.03534	100.0
301.10764	28.7
301.16330	1.6
301.20059	2.8
302.03812	8.2
302.11191	2.7
303.41656	1.2
331.17642	57.8
332.17978	4.1
337.09415	3.6
431.10211	1.7
445.07764	42.2
446.08099	3.6
463.08383	17.7
463.21359	27.6
464.09036	2.3
464.22165	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67866	0.7
57.03433	0.7
59.98523	1.3
83.05039	1.2
85.06610	1.4
91.70895	0.7
97.06628	0.7
98.17713	0.8
101.66119	0.6
105.07083	1.0
107.05052	1.8
111.04528	1.1
123.08178	73.4
124.08506	2.7
127.19209	0.7
135.04543	7.5
136.04852	1.0
137.06096	21.6
138.06914	5.3
139.07736	0.7
151.07660	3.7
161.59573	0.7
163.04031	0.9
164.04764	1.6
165.05598	20.9
189.12849	0.7
234.80930	0.7
255.37515	0.6
283.20590	1.9
295.20700	0.9
301.03470	0.9
309.18533	1.6
327.19742	2.7
356.91049	0.6
401.28485	3.6
403.26224	0.8
404.27536	0.9
419.29581	4.5
445.27460	9.3
445.32883	1.2
446.27795	0.8
448.31549	1.1
463.28564	100.0
463.34406	20.5
464.28870	12.3
464.34543	1.3
475.93814	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3071
Annotation	Taxisterone
Peak:m/z	Relative Intensity
59.01365	1.0
61.98823	1.4
62.03061	0.5
69.43454	1.7
71.01373	1.4
73.02956	17.8
78.95930	3.3
96.96011	1.3
96.96992	0.6
98.22504	0.6
107.12920	0.5
108.02249	0.5
110.62188	0.5
151.00400	1.2
152.99614	5.4
178.99849	1.0
183.39725	0.5
209.11847	1.3
227.03603	0.5
230.47952	0.5
243.02869	1.6
255.03004	3.7
271.02499	7.0
272.03009	0.9
299.01715	0.7
300.02792	13.4
301.03503	6.1
317.60114	0.5
345.28015	11.2
345.31979	1.0
346.28329	1.8
371.25800	0.9
383.29666	0.8
389.27032	2.8
390.27386	0.6
403.28568	2.3
411.64853	0.5
427.28513	1.7
445.29749	7.5
446.29782	1.0
448.19556	0.5
463.08994	8.8
463.30704	100.0
464.09109	1.0
464.30908	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14346	0.5
57.03442	1.3
59.01384	13.2
60.01738	0.7
61.98834	100.0
62.28417	0.5
65.00310	0.6
69.71100	3.2
71.01392	5.1
73.02966	1.0
75.39310	0.5
83.01414	0.7
85.02977	2.6
87.00877	0.7
89.02458	4.4
93.03478	2.2
99.04543	0.7
101.02432	3.6
109.02975	1.3
111.04585	0.8
113.02497	2.0
119.03550	2.1
121.03040	0.6
121.21063	0.7
125.02486	2.5
131.03523	0.8
135.04570	1.2
137.02486	0.6
145.05081	0.8
146.69077	0.5
149.02478	0.7
149.09726	0.7
151.04051	0.6
160.32901	0.5
161.04610	2.2
166.06418	1.4
167.06796	0.6
167.10837	1.8
173.04601	4.8
173.05946	1.1
174.03238	1.5
179.03621	0.9
179.05615	1.3
181.08762	1.5
188.04883	0.9
191.05615	9.2
200.19054	0.7
201.09203	0.6
203.07195	0.8
211.07690	1.2
213.56699	0.5
217.08777	0.6
229.08841	2.3
243.16147	0.7
247.09943	2.4
270.10822	0.8
271.10956	0.8
272.11264	1.6
273.07678	3.6
291.08807	6.0
293.65787	0.6
303.05161	0.7
332.18015	0.6
405.21896	0.9
464.22607	1.1
465.14154	2.0
465.24139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	89.0
60.45274	6.6
67.21145	8.0
69.03458	6.6
70.12074	25.2
70.12452	16.4
71.01395	54.4
73.02959	15.8
74.74142	6.5
83.01385	18.4
84.07207	7.3
85.02972	22.1
86.55796	7.1
89.02441	88.5
101.02436	74.9
113.02489	27.2
119.03506	26.9
121.97292	7.8
125.02466	21.3
131.03523	71.1
132.02208	16.6
133.02539	12.2
134.03735	32.5
142.78600	7.4
149.04501	14.0
160.01665	78.5
161.02071	37.6
161.04610	20.0
175.04007	100.0
176.04344	65.1
179.05542	12.4
193.05042	17.1
267.16031	12.8
280.35538	7.7
289.16635	97.7
301.03348	18.0
302.03882	12.0
337.09302	22.0
338.09717	62.5
421.20688	29.4
433.91287	9.1
464.13364	59.9
465.26898	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84253	0.7
59.01395	1.0
61.98836	100.0
69.19334	5.5
72.99310	1.0
98.21840	1.3
117.72466	0.7
163.25627	0.7
300.02985	1.0
301.03445	0.9
302.04251	1.1
401.21930	1.1
461.02234	0.8
464.25583	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.3
60.98029	1.6
61.98833	100.0
69.18099	13.3
71.01356	1.6
78.95911	2.8
97.68671	1.5
98.22050	7.8
129.26520	2.0
149.16295	1.7
151.07643	1.9
152.99510	2.9
157.64145	2.0
191.05614	2.0
256.03305	1.9
300.02704	2.5
301.03235	4.4
464.09177	4.0
465.32175	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.104
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
51.48887	0.5
57.03426	1.2
59.01370	1.9
61.27204	0.5
63.02395	1.6
65.00330	17.4
70.44833	1.1
70.45191	0.6
71.01413	0.6
75.12952	0.5
83.01394	7.6
83.12766	0.5
89.02470	0.6
93.41650	0.5
95.01415	0.6
107.01402	24.0
121.02994	0.6
121.06459	0.5
122.03752	0.9
123.04530	10.0
124.01680	1.5
124.39146	0.6
125.02457	9.4
133.02963	3.1
135.04506	1.9
149.02460	1.6
150.03236	8.9
151.00383	100.0
151.04007	23.2
152.01123	5.4
153.01981	0.6
169.01462	1.3
175.04037	1.4
176.01216	0.8
177.01884	1.0
178.99867	6.6
187.04109	0.7
189.05525	0.7
199.03934	2.6
199.62869	0.6
210.71059	0.5
213.05623	0.9
217.05048	1.4
241.05119	1.9
243.02968	0.7
257.04642	1.3
259.06119	0.6
267.03052	0.8
285.04074	49.7
286.04385	2.7
302.04504	0.7
303.05157	2.3
313.09341	1.6
339.07193	3.1
465.10364	9.5
466.10587	0.8
467.95474	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1038
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
52.38150	0.9
54.74655	0.8
57.03448	9.7
59.01386	23.6
63.02413	1.1
64.75519	0.8
65.00323	2.8
69.26680	5.2
71.01379	3.5
83.01396	4.9
85.02965	1.0
85.65855	0.7
87.47454	0.9
89.02451	3.8
93.03461	1.5
98.22519	2.1
101.02440	1.7
107.01391	7.4
107.42202	0.9
109.02963	3.5
110.03345	0.8
119.03437	1.0
119.67666	0.8
120.01268	0.9
121.02995	2.6
123.04529	4.8
124.01688	1.1
125.02460	88.9
126.02812	2.6
133.02985	2.2
137.02461	2.8
139.04021	2.3
147.04575	1.3
149.02469	10.0
150.03249	2.3
151.00392	29.6
151.04013	3.4
152.01140	3.6
153.01964	17.6
161.02461	1.8
161.04549	0.8
163.00375	7.4
164.02271	0.8
164.60338	0.8
165.01953	1.2
171.04584	1.1
173.06134	1.8
174.03210	1.4
175.04005	13.5
176.01164	4.5
177.01947	21.4
178.99873	16.5
181.01457	2.5
184.00259	0.9
185.06078	1.1
188.04778	1.5
189.05554	3.5
191.03586	1.2
191.05574	1.4
193.05103	0.9
197.06157	1.3
199.03992	7.7
201.01987	1.9
213.05627	1.9
216.04242	1.2
217.05023	9.6
240.04333	1.2
241.05099	7.2
243.02962	1.7
257.04501	1.4
259.06137	2.8
275.05667	9.9
284.03317	2.1
285.04065	100.0
286.04422	6.4
303.05124	71.0
304.05484	5.5
341.05212	3.5
342.06042	1.1
447.08926	2.3
465.10333	3.4
465.19739	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1042
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
57.03453	13.0
59.01377	4.8
61.98780	0.8
65.00332	5.8
69.33408	5.6
71.01374	2.2
73.02915	0.7
75.00850	1.0
79.26541	0.7
81.18027	0.7
83.01400	6.6
85.02937	1.1
89.02433	1.7
95.01394	3.2
101.02414	1.4
104.82336	0.9
107.01419	7.2
109.02961	2.6
111.00894	2.0
121.02935	1.4
123.00873	2.4
123.04568	5.2
124.01672	5.8
125.02460	100.0
126.02798	2.9
133.02922	2.3
135.04541	1.8
137.02437	3.0
139.00313	1.0
139.04036	1.5
140.46095	0.9
147.04546	1.1
149.02420	4.5
150.03267	7.0
151.00386	37.7
151.04005	10.2
152.01186	15.7
153.01974	7.0
161.04553	1.0
161.06094	1.2
163.00305	1.5
169.01390	0.8
173.06059	1.7
174.03271	2.2
175.04062	6.3
176.01178	1.7
177.01974	5.0
178.99870	8.2
180.00601	0.8
185.06082	1.0
187.04063	1.1
188.04797	2.3
189.05573	5.4
191.03571	1.2
191.05615	3.0
191.07162	1.0
193.05045	2.8
195.06596	4.1
197.06114	0.9
199.04054	2.6
213.05528	0.9
215.07179	1.5
216.04230	0.8
217.05081	9.4
231.06572	2.7
241.05025	2.2
257.04547	1.6
259.06122	11.3
260.30814	1.0
267.03101	1.1
274.04980	1.1
275.05670	9.2
284.03238	0.8
285.04080	39.9
286.04419	2.7
303.05133	10.2
421.11276	2.1
437.10901	21.0
438.11121	2.8
447.09271	8.5
465.10416	74.7
466.10867	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.104
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
54.81544	1.0
57.03446	9.6
59.01382	2.4
59.77551	1.1
63.02406	1.9
65.00330	3.8
70.93338	2.2
71.01359	1.3
72.52355	1.0
81.03445	1.4
83.01404	6.3
89.02444	1.6
97.02941	1.9
107.01392	6.9
109.02971	4.7
121.02988	3.1
123.04525	4.9
124.01673	2.1
125.02458	100.0
126.02764	3.1
135.93372	1.2
137.02461	4.1
139.04037	5.2
149.02448	12.9
150.03214	1.1
151.00385	28.2
151.04001	4.2
152.01161	2.5
153.01944	29.6
154.02367	1.2
161.02385	1.7
163.00290	1.3
163.04123	1.2
165.01921	1.2
167.03473	2.6
169.01387	1.5
171.04541	1.4
174.03273	2.3
175.00360	4.5
175.03998	12.7
176.01123	2.5
177.01938	17.7
178.99867	20.9
181.01425	11.8
188.04710	1.9
189.05591	4.6
191.03600	2.3
191.05624	2.4
195.02959	1.8
199.04063	5.3
201.01898	2.6
213.05444	1.5
216.04292	1.4
217.05055	8.2
241.05003	6.8
242.02090	1.3
243.03008	2.4
256.03845	1.2
259.06067	3.9
275.05618	24.6
276.06064	1.5
284.03357	1.5
285.00809	2.2
285.04059	67.9
286.04333	4.4
299.05634	8.4
303.05151	72.6
303.08649	3.8
304.05460	4.0
313.05658	1.7
315.07278	1.9
327.05081	1.4
341.05112	6.3
343.06873	5.8
364.16907	1.2
437.11316	1.3
447.09140	4.9
465.10068	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89814	3.3
57.03459	4.9
59.01380	3.5
60.99314	18.0
62.75044	3.8
65.70007	3.3
71.01355	4.2
71.28380	4.6
78.66890	3.4
82.11422	3.3
84.51129	3.9
88.98811	100.0
89.02449	14.7
125.02460	23.6
135.04524	6.7
137.02411	4.1
147.04509	9.4
148.91031	4.1
149.02478	3.7
153.01923	4.1
161.02475	4.5
163.00432	4.7
164.07150	12.2
167.03419	5.6
175.03961	4.6
177.01968	6.5
179.03506	9.7
191.05611	12.4
194.05635	3.2
195.06577	4.7
275.05856	4.3
276.87531	3.7
285.04047	18.9
303.05185	8.5
375.06671	19.1
465.10776	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.6
59.01142	1.0
59.01390	12.9
69.03458	1.7
69.11571	9.1
71.01383	4.1
73.02972	1.6
81.03446	1.3
83.05032	1.2
83.08320	0.8
85.02963	10.0
87.00889	2.7
89.02450	2.9
93.03473	7.5
98.22646	1.6
99.04556	1.1
99.31204	1.0
101.02441	1.2
109.02964	3.6
111.04517	3.7
113.02454	1.3
119.03505	1.0
125.02473	4.8
127.04007	3.2
135.04504	3.6
137.02443	1.6
146.03731	1.9
151.04034	1.2
153.01915	1.0
155.03485	5.1
159.04544	2.8
160.05321	1.9
161.04604	1.1
161.06049	2.2
165.07135	1.0
171.04471	1.0
172.05310	3.9
173.04547	11.7
173.06071	5.8
174.03302	4.8
175.04013	5.3
175.07611	1.3
185.06097	4.1
186.06815	1.2
187.04018	2.7
187.07593	2.6
189.05608	5.4
189.09261	1.5
191.05629	100.0
192.05931	2.1
196.05188	1.8
199.03960	2.1
200.04736	5.5
201.05447	1.0
209.06079	9.7
210.06769	2.5
211.07643	35.6
212.08032	2.1
213.05551	5.4
214.06401	3.1
215.07130	1.3
227.07124	1.6
229.08698	19.1
229.11043	1.2
230.09212	0.9
247.09796	17.0
248.09917	1.2
255.06664	26.2
256.07156	1.4
259.06134	1.2
271.06195	1.3
273.04684	1.8
273.07690	33.0
274.08047	1.2
285.04041	3.7
289.07144	1.1
291.08771	63.2
292.09174	3.6
303.05194	2.3
376.76172	1.0
393.05234	1.4
414.12195	1.3
465.14026	49.4
466.14240	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	49.8
61.98826	16.7
71.01382	49.9
71.29893	8.4
73.02941	19.5
82.63421	5.5
83.01396	7.4
84.44182	5.2
85.02939	16.1
85.15263	5.5
89.02437	36.6
97.02985	5.4
99.00920	10.6
101.02445	31.3
101.78102	4.9
107.01398	6.4
113.02438	19.2
119.03532	7.2
120.57286	5.6
125.02433	5.7
131.03519	8.5
149.04549	10.3
151.00378	10.9
161.02422	8.2
161.04576	29.9
163.00374	8.3
197.02202	13.2
198.75511	6.1
230.67227	5.9
255.02992	10.1
265.14453	10.5
267.16022	100.0
268.16373	8.8
271.02396	9.9
272.02866	13.0
273.02939	8.8
300.02631	12.0
301.03415	22.8
302.03595	29.4
303.04034	27.8
303.08569	7.7
333.19290	28.9
429.21155	20.5
433.05914	12.9
447.08258	34.0
465.09515	8.1
465.12170	9.0
465.19006	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	7.6
58.00600	2.6
59.01382	100.0
65.00323	4.8
69.03452	3.8
70.87976	2.3
71.01389	48.6
71.29738	3.3
71.59792	2.1
72.99296	3.2
73.02948	37.9
75.00851	2.8
83.01368	7.2
85.02956	22.3
87.00893	11.3
87.04517	4.8
89.02448	51.9
98.43743	2.2
99.00922	3.2
101.02450	62.3
102.02750	3.2
103.04015	24.7
106.01521	2.2
107.01382	5.7
109.02937	3.7
113.02464	12.7
115.04024	6.9
119.03506	16.1
122.60781	2.5
123.04558	3.6
125.02463	43.5
125.25749	2.1
127.54884	2.4
131.03519	19.0
131.71077	2.2
135.04541	5.9
137.02452	2.7
139.07639	21.5
142.05148	2.4
143.03511	15.9
145.05078	8.1
145.34363	2.0
146.03722	2.1
149.04556	7.3
150.03239	5.6
151.00410	21.5
151.03999	11.2
152.01141	4.8
153.01961	4.6
161.04565	8.6
163.04044	2.5
163.06128	62.6
164.06363	2.8
165.05630	2.7
169.01405	1.9
178.99820	3.7
179.05632	6.7
180.07874	3.6
191.05714	5.5
195.06595	6.4
205.07173	32.0
207.10242	2.2
217.05067	4.9
225.11192	5.1
259.06119	5.2
265.09326	3.8
275.05545	2.2
285.04071	19.5
303.05063	7.0
303.08551	4.9
332.18100	2.2
333.18835	6.5
408.62411	2.2
437.10730	6.6
447.09210	3.2
465.10321	29.0
465.18451	14.0
465.24475	3.5
466.10510	4.5
466.19278	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
58.72560	0.4
59.83041	0.3
63.32138	0.4
66.81667	0.4
69.02855	3.5
78.95911	65.6
80.23361	0.3
96.96973	8.5
98.23259	0.3
112.60326	0.3
150.98051	1.5
152.99600	100.0
153.99945	1.5
171.00644	5.6
189.48969	0.4
253.09515	0.3
274.81741	0.3
288.81259	0.4
293.21219	0.7
370.10419	0.4
377.13815	1.8
377.29016	0.3
403.26343	0.9
418.76465	0.4
421.27371	2.1
422.27444	0.4
444.89038	0.4
465.26788	0.7
465.32681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.0
58.00621	0.8
59.01382	100.0
60.01719	1.0
61.98845	2.8
65.76473	0.5
70.33861	1.6
71.01382	8.8
71.01752	0.7
72.99351	0.7
73.02962	0.9
79.43019	0.5
82.04250	0.4
85.02988	2.1
87.00906	0.6
89.02448	14.3
89.02953	0.8
96.96020	0.8
101.02459	5.8
113.02457	3.4
114.93579	0.5
119.03500	6.7
119.04216	0.6
123.04622	0.6
125.02482	2.1
131.03551	0.8
143.03522	1.3
149.04568	1.1
161.04617	2.3
173.04599	2.0
173.06036	0.7
177.01775	0.6
179.05602	3.6
191.05634	6.5
211.07715	1.3
213.05594	0.6
221.35153	0.6
229.08803	0.7
242.63289	0.5
247.09872	1.4
255.06638	0.6
273.07697	0.8
285.04376	1.6
291.08847	2.7
303.05344	1.0
405.21384	5.9
406.21359	0.5
406.75305	0.7
465.14301	1.4
465.23462	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26020	0.8
54.82647	1.0
55.47586	1.0
57.03441	3.4
58.00596	0.9
59.01382	100.0
60.24914	0.9
61.98835	5.2
62.09359	0.8
65.00331	1.2
69.46254	5.2
71.01390	12.8
71.70295	0.9
72.99313	1.7
83.01394	1.2
85.02953	3.3
87.00886	1.0
89.02448	19.2
93.03432	1.0
99.04525	1.3
101.02448	8.1
106.59085	0.8
109.02934	1.5
113.02453	5.2
119.03497	7.2
125.02470	12.2
131.03520	1.7
134.03928	0.9
135.04561	2.2
137.02466	2.7
137.08475	0.8
139.00401	1.4
143.03482	2.7
147.04530	1.0
149.02454	3.4
149.09723	3.5
151.00400	1.8
151.03979	1.5
153.01979	1.1
154.02792	1.1
161.02431	3.0
161.04552	5.1
164.01086	1.2
165.01909	1.5
166.02748	2.0
167.03496	2.0
167.10799	7.0
175.04008	4.2
177.01920	3.7
178.99823	0.9
179.03667	1.0
179.05626	5.5
191.03638	0.9
191.05582	4.4
193.01384	1.5
197.06122	1.0
198.03223	1.2
199.04080	4.5
201.01794	1.3
212.86163	0.9
213.05513	1.7
215.03517	1.2
217.05022	5.3
241.05127	7.3
243.15987	1.2
259.06076	1.0
285.04059	22.8
286.04315	1.9
287.05698	1.1
303.05099	3.6
303.08487	1.2
329.08801	2.0
346.19998	1.0
375.07028	5.0
405.21329	6.4
406.21600	1.2
465.10272	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31738	1.5
56.41166	1.3
57.03448	5.3
59.01387	100.0
61.98826	5.9
69.20738	10.9
69.21084	2.0
71.01389	21.4
72.01686	1.5
73.02940	3.3
83.01376	1.8
85.02956	6.6
87.00890	2.4
89.02456	28.5
98.22613	1.8
101.02453	10.6
113.02457	7.8
117.31062	1.4
119.03534	13.7
127.04052	1.6
143.03468	2.2
145.05063	2.2
149.09705	12.8
153.09256	3.0
161.04535	7.6
167.10802	29.9
178.99951	1.5
179.05649	12.0
191.05641	7.9
225.14888	4.3
243.16095	2.2
255.68073	1.5
273.07581	1.6
397.35535	1.5
405.21359	11.2
406.21625	1.7
465.23474	2.8
467.80881	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.5
59.01380	100.0
59.69058	0.5
68.49476	0.5
69.50910	3.1
71.01380	6.7
74.74003	0.5
75.43672	0.4
85.02975	0.9
87.00912	0.8
89.02448	12.4
96.96041	2.1
101.02439	4.5
101.02929	0.4
109.03001	0.7
113.02468	4.0
119.03488	4.5
123.04550	0.5
125.02448	7.5
131.03482	0.5
143.03510	1.3
149.02530	0.8
151.00412	1.6
151.04065	0.7
153.01976	0.7
161.04616	2.0
167.10803	0.8
175.04019	1.5
177.01974	1.5
178.99913	1.0
179.05600	3.6
181.01518	0.6
191.05701	1.1
193.01927	0.5
197.86151	0.5
199.04060	0.9
217.05070	0.7
222.76253	0.5
285.04068	7.6
286.04547	0.6
291.01877	0.5
303.05139	6.4
356.04541	0.5
405.21198	3.1
465.07083	1.0
465.23523	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
55.76863	0.8
56.59631	0.9
57.03423	1.5
59.01363	1.4
59.45185	1.0
65.03961	1.3
69.03442	1.6
71.01390	2.0
73.02932	2.8
75.04562	0.9
78.95892	1.2
81.03470	3.1
83.01381	3.4
83.05033	11.4
93.03474	25.4
98.22536	2.7
99.00871	1.9
108.02221	1.0
109.02964	17.7
111.00900	4.1
111.04533	51.3
111.08151	1.6
127.04042	2.7
127.11292	1.6
133.16785	1.0
136.07895	1.0
137.02463	7.9
150.46486	1.0
151.11272	1.4
152.91608	1.1
152.99629	1.7
153.01956	13.0
153.12857	4.1
154.02739	1.1
155.03505	9.1
165.12842	1.1
167.10831	1.3
169.12318	1.6
171.02985	1.4
171.78407	1.0
173.04584	11.2
179.10846	1.0
179.14407	1.6
181.12311	2.6
182.45955	1.1
197.11816	2.9
226.19798	1.1
227.12585	0.9
247.20703	5.4
273.18527	2.3
275.16565	1.9
281.21191	2.4
291.19693	23.9
293.21252	2.1
301.14740	1.1
309.20746	100.0
310.21078	9.0
367.22653	2.3
385.23798	6.4
403.25217	2.1
437.72495	1.2
463.30695	1.0
465.25992	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76075	0.9
57.03442	1.2
59.01374	2.0
61.91293	0.8
65.03963	1.1
69.03442	1.0
69.30867	0.9
71.01401	3.4
71.05051	0.8
71.31149	1.2
73.02952	10.0
78.06705	0.8
78.95889	2.6
81.03464	3.8
83.01406	3.6
83.05030	16.2
85.02962	3.1
93.03465	52.2
99.00904	6.3
99.04569	1.4
109.02959	19.4
111.00907	2.4
111.04533	100.0
112.04877	1.7
113.09686	1.2
125.40228	1.1
127.04072	1.3
129.01935	1.0
137.02454	13.3
139.07654	1.4
150.18979	1.0
152.99628	3.4
153.01961	2.1
155.03519	20.0
160.84209	2.4
165.12840	2.2
167.14474	1.3
173.04567	33.1
174.04790	1.2
180.63943	0.8
181.12407	1.5
188.23897	1.0
193.12427	0.9
211.13345	2.0
221.15538	1.3
247.20630	2.0
291.19714	17.7
292.19937	1.6
301.03345	0.9
309.20743	70.2
310.21109	5.4
350.94812	1.0
367.22635	1.2
385.24060	2.0
403.24832	1.3
411.21814	1.3
421.32855	0.9
429.22858	2.4
447.24152	1.5
465.26166	2.9
465.32382	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
62.34945	50.5
62.47802	56.8
68.15539	67.4
70.36877	56.7
71.00339	100.0
174.43204	55.4
181.18602	54.2
196.87526	60.7
475.07187	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69820	53.1
59.07872	48.7
70.60468	92.2
70.60802	100.0
79.44261	62.0
87.40157	57.8
98.82338	62.3
294.75900	51.8
349.45767	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.8
59.01379	11.7
61.98835	1.7
64.45575	0.7
67.01894	1.3
67.12974	0.6
67.14235	0.6
69.26453	4.2
69.26849	1.1
71.01386	10.7
72.99307	3.0
73.02948	1.5
77.03973	0.7
80.91722	0.8
81.03467	1.8
83.05041	1.9
85.02942	6.7
87.00888	2.1
89.02450	11.3
93.03458	12.1
97.02961	0.8
97.06590	4.5
101.02464	4.4
105.03464	1.8
106.04241	0.9
107.05106	1.0
108.02181	1.9
109.02961	9.1
111.04504	5.7
113.02467	1.9
117.03488	0.7
119.03491	0.8
119.05039	0.9
121.02956	5.0
123.04539	1.1
124.01646	0.9
125.02441	4.1
127.04037	1.2
129.01953	1.3
129.09230	23.5
131.03535	3.6
133.02972	17.4
134.03749	100.0
135.04527	26.8
136.01675	3.0
137.02455	21.7
139.04025	2.8
143.03467	0.8
147.04501	0.7
148.81476	0.7
149.02481	0.6
149.04555	4.4
150.03244	1.1
151.04021	6.8
154.02643	1.4
155.03534	6.5
159.04539	0.7
160.25076	0.7
161.04581	0.8
162.03270	1.5
171.02942	0.8
173.04558	37.3
177.01942	21.6
178.02722	37.7
179.03503	17.6
187.07668	2.2
191.01865	1.1
191.05629	8.3
195.03001	2.7
196.03734	0.7
203.10866	0.9
213.09102	0.9
223.09789	0.9
231.10274	20.4
233.06593	1.0
263.09329	1.1
275.09259	25.2
293.10422	43.9
308.09006	0.7
419.14996	0.9
423.18674	0.8
437.14871	1.0
449.14648	3.7
455.06696	0.8
467.15643	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	21.1
63.51260	3.3
66.61964	3.2
69.22884	27.2
71.01384	20.6
73.02954	10.3
80.00368	3.6
83.01408	6.0
85.02959	13.5
87.36542	3.5
89.02462	4.2
89.24303	3.1
92.12251	3.5
99.00917	5.4
101.02459	27.7
113.02475	10.2
131.03508	39.7
143.03531	3.5
161.04558	9.2
291.18155	100.0
292.18475	10.9
314.74335	3.8
335.17505	4.3
335.77484	3.9
423.22607	19.6
437.12579	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.1
59.01390	19.7
61.98838	10.9
69.17067	17.4
69.17470	7.0
71.01398	23.8
73.02949	9.2
76.03097	2.4
77.44849	3.0
83.01399	3.9
85.02967	17.7
85.94814	2.8
87.00897	4.4
89.02468	8.4
93.03482	15.7
99.00908	6.1
101.02460	31.4
104.86916	2.7
105.03477	3.4
109.03000	3.3
111.04545	8.6
113.02457	11.8
115.11378	2.7
120.77705	2.4
121.03020	3.3
125.02436	3.5
127.11323	2.4
133.02977	41.4
134.03758	48.9
135.04541	31.6
137.02469	25.7
139.04062	9.3
155.03555	7.3
161.04564	10.6
173.04561	32.6
177.01950	48.7
178.02739	90.4
179.03525	37.6
189.02060	3.0
205.03717	3.2
217.01422	3.9
231.10298	7.7
235.05870	2.9
275.09286	53.1
291.18176	100.0
292.18655	3.4
293.10385	27.9
341.06516	3.5
342.07108	4.6
423.22372	71.6
424.23132	3.4
449.14462	10.0
466.12100	4.0
467.15720	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47401	3.4
57.03455	5.6
59.01387	27.5
61.98814	5.9
62.71850	4.0
69.17090	33.5
71.01382	38.2
73.02931	16.4
74.47054	3.6
83.01373	6.4
85.02960	19.4
86.85038	3.6
87.00885	4.0
89.02457	8.2
93.03474	18.5
99.00890	10.2
100.54014	3.2
101.02446	41.3
104.58579	3.6
109.02971	4.1
111.04514	11.0
113.02453	10.1
121.02963	4.5
123.69125	3.6
131.03525	38.3
133.02968	29.3
133.57245	4.1
134.03773	41.3
135.04524	22.0
137.02446	21.9
155.03484	6.2
159.02991	4.7
161.04575	21.8
164.92303	3.9
173.04559	57.2
177.01950	38.2
178.02736	62.6
179.03488	17.7
184.19986	4.1
235.69273	3.6
275.09213	26.4
291.18152	100.0
291.21414	4.8
292.18542	9.0
293.10416	20.4
353.97479	3.5
423.22354	36.1
449.14688	5.6
467.15689	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	6.4
61.98835	3.3
63.29153	3.0
66.00907	3.7
67.01891	3.3
69.17145	20.6
71.16611	2.9
72.71293	3.2
83.97372	3.1
93.03479	12.3
96.96000	3.5
109.02982	6.2
115.05362	3.6
117.50699	3.4
119.22368	3.2
123.04536	4.5
125.02485	11.6
137.02466	7.6
146.55396	4.1
149.02461	3.8
161.02538	5.0
165.01953	4.1
168.13629	3.0
173.04585	6.2
177.02042	5.3
179.03415	4.5
227.03470	34.1
229.05106	7.1
249.18742	4.0
255.03003	62.4
256.03357	9.7
267.16089	10.2
269.17505	4.8
284.03287	53.4
285.04044	75.5
286.04294	5.9
289.07126	5.2
379.49622	3.4
431.09866	100.0
432.10300	11.6
466.32486	3.5
467.14142	6.5
490.19888	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26387	1.2
56.84961	1.2
57.03471	1.6
59.01374	4.0
60.23878	1.3
60.99331	1.2
69.03450	2.8
69.13071	12.3
71.01367	4.3
78.91881	2.1
80.32547	1.5
83.05029	3.3
85.02956	11.5
87.00862	5.4
88.49519	1.2
90.74936	1.3
93.03465	19.6
94.03825	1.4
94.92320	1.4
97.06594	4.5
111.04512	5.2
121.02960	2.6
123.04494	1.6
127.03989	2.5
137.02448	2.2
139.59196	1.4
146.03761	13.8
147.04466	6.3
151.04004	5.6
155.03526	7.9
158.03780	2.8
159.04501	4.6
161.02489	2.1
161.06067	1.9
162.06889	1.6
163.07539	2.2
172.05272	2.3
173.04575	36.5
173.06021	4.2
174.03256	2.2
174.06839	2.6
175.04030	2.5
175.07651	40.5
176.04829	12.3
177.09222	25.5
187.04022	1.9
187.07657	22.0
188.04704	1.7
188.07990	1.6
189.05554	2.1
190.06419	7.4
191.05620	100.0
192.05937	2.3
201.05635	2.8
201.09193	7.4
202.06314	11.9
203.06979	2.9
203.10765	2.3
204.07925	1.8
205.08675	21.2
213.09258	2.7
219.10265	29.7
221.11934	2.1
231.10249	31.2
249.11328	74.2
250.11655	4.3
263.09167	3.8
275.09259	27.0
291.95407	1.4
293.10376	12.7
437.14569	9.2
449.14600	5.3
467.15588	38.3
467.22208	2.1
468.16119	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.2
61.98821	1.7
67.01884	3.6
69.03455	2.2
69.32268	7.9
69.32668	3.9
70.35090	1.6
71.01397	8.0
72.99310	13.3
83.05015	3.3
85.02953	12.5
87.00878	5.2
93.03457	28.3
94.11537	1.7
97.06598	5.9
109.02965	2.3
111.04504	8.1
113.02495	1.7
123.04526	2.7
129.01923	1.8
133.02940	2.0
134.03789	3.3
136.01614	1.8
146.03737	18.4
147.04485	2.8
149.06059	2.3
151.04007	7.6
155.03503	7.2
158.03723	3.0
159.04539	4.2
161.06026	2.3
163.07597	2.2
172.05322	5.9
173.04584	50.1
173.06059	5.9
174.06879	1.9
175.04031	3.3
175.07654	46.3
176.04797	9.6
176.08009	3.0
177.09248	15.9
187.03967	1.9
187.07632	25.7
190.06364	6.9
191.05621	100.0
192.05922	2.8
201.05586	2.9
201.09189	10.6
202.06383	10.6
203.07005	2.4
203.10815	4.7
204.08029	1.6
205.08737	12.4
213.09218	3.1
219.10268	31.2
220.10612	2.5
221.11713	2.3
231.10268	41.8
232.10609	2.6
249.11333	48.8
250.11719	3.4
263.09302	3.9
275.09302	31.4
276.09412	2.3
293.10312	30.8
437.14368	4.5
449.14459	7.3
467.15558	34.4
467.22913	3.5
468.15808	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29834	1.6
57.03453	33.4
59.01097	2.1
59.01388	29.0
61.98796	1.6
69.42780	9.5
69.65691	1.6
71.01385	8.2
73.02956	2.7
82.30972	1.7
85.02944	2.0
89.02478	5.0
93.03429	2.2
99.04530	22.0
101.02435	11.0
109.02941	2.2
125.02477	11.9
130.42865	1.5
133.80244	1.6
137.02477	2.1
145.07741	5.3
150.01291	1.6
153.56767	1.9
160.06438	15.2
161.04591	9.0
161.07217	45.2
173.10910	2.6
175.08774	24.5
177.01955	3.2
187.08824	4.3
189.06709	78.2
190.07101	3.6
191.05626	6.2
201.10263	10.7
203.08302	32.3
203.11977	8.3
217.05449	2.1
229.09880	23.0
305.11462	58.2
306.08279	1.9
306.11673	3.7
323.12506	100.0
324.12775	4.4
365.13580	6.8
467.09732	3.7
467.20804	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75789	1.1
55.99204	1.2
57.03450	51.7
59.01093	2.1
59.01381	36.6
59.54530	1.2
69.12080	8.5
71.01385	10.6
72.99323	1.3
73.02950	4.5
85.02975	1.3
89.02447	8.2
97.02949	1.6
98.22522	2.9
99.04531	20.9
101.02448	20.2
103.04002	1.5
109.02969	2.7
119.03511	3.0
123.04553	1.4
125.02477	10.3
143.03513	1.8
145.05115	1.9
145.07722	5.2
160.06442	19.2
161.04582	11.7
161.07213	57.4
162.07579	3.4
163.06113	7.2
173.10797	1.6
175.08780	36.1
185.10762	1.9
187.08757	6.8
189.06712	92.3
190.07027	3.6
201.10341	8.2
203.08264	35.4
203.11877	8.4
204.08490	1.9
205.07158	2.8
217.01451	2.0
227.03557	2.1
229.09790	22.9
230.10133	1.9
243.03035	2.0
255.03023	9.8
256.03644	3.6
257.04507	2.9
277.11920	3.5
285.04041	2.5
297.04282	1.6
305.11432	78.4
306.11731	5.2
323.12488	100.0
324.12955	8.4
339.75446	1.4
357.06268	2.9
365.13596	11.1
405.16888	1.8
407.07727	17.4
407.19370	2.1
408.08163	1.8
467.09756	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2077
Annotation	2,3-Dihydronimbolide
Peak:m/z	Relative Intensity
57.03447	3.0
59.01358	2.0
69.02882	20.2
69.03457	9.9
71.01389	3.4
73.51001	1.9
75.87095	1.7
80.58380	1.6
81.03454	7.1
93.03458	6.2
95.05037	10.8
98.00102	10.7
99.00879	9.8
99.04513	7.0
101.86488	1.8
107.05028	4.8
109.02955	4.6
109.06601	2.9
111.00920	2.3
115.00368	3.2
119.05003	3.4
121.02972	3.0
121.06590	3.3
124.01678	23.7
137.06070	3.1
139.04019	24.0
139.07660	2.7
145.06648	2.2
147.04553	2.1
156.18434	2.1
161.06081	4.7
161.82158	2.0
163.04117	2.3
183.08142	4.9
189.31125	1.9
201.05528	5.0
213.05701	2.4
217.05037	4.3
225.09142	1.7
229.05025	2.1
231.06540	3.7
241.08768	4.8
254.05914	2.3
269.08234	9.5
269.11819	5.1
270.12015	2.0
277.15933	2.2
281.11844	3.4
297.11328	4.7
337.03738	2.1
343.20837	11.2
345.09851	2.3
361.21735	5.9
379.22565	4.7
387.12048	2.4
387.19595	14.6
405.13623	4.0
405.20645	3.8
409.16672	7.2
423.14276	16.0
423.21793	10.2
424.18915	6.0
431.18527	9.5
435.18124	19.0
437.16141	5.8
438.16922	9.7
439.21332	7.8
449.19263	2.9
452.18488	15.5
467.20731	100.0
468.21323	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54291	1.4
57.03450	12.0
58.49358	1.5
59.01381	100.0
66.58391	1.6
71.01380	25.8
72.99332	3.2
73.02948	20.5
85.02970	11.0
87.00912	4.6
87.04518	3.4
89.02450	31.1
93.88209	1.7
99.04546	6.6
101.02447	39.8
103.04025	15.0
109.02986	3.1
113.02466	5.7
115.04063	2.1
119.03521	13.0
125.02479	4.3
131.03546	8.1
143.03514	9.7
145.05098	3.8
145.07675	1.8
160.06433	5.5
161.04504	3.3
161.07214	15.8
163.06137	59.6
175.08826	8.0
179.05591	2.7
187.08763	2.6
189.06685	25.8
201.10349	2.3
203.08331	9.5
203.11931	3.0
205.07115	16.2
229.09819	6.2
247.08023	1.9
251.70038	1.8
255.02971	2.6
265.09329	5.1
305.11469	20.2
306.11542	1.7
323.12497	27.8
328.43445	1.6
365.13968	1.9
379.12183	3.7
407.07767	5.0
407.19193	19.8
425.61008	1.7
467.09885	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.5
58.00579	4.4
59.01383	100.0
63.98554	1.3
64.01324	1.6
67.86723	1.4
69.03471	3.4
69.23522	8.5
69.23930	2.6
71.01385	43.2
72.99307	6.2
73.02955	50.8
75.00879	2.2
81.03473	1.4
83.01383	3.0
85.02962	19.8
86.00093	3.7
87.00874	18.6
87.04534	8.1
88.55370	1.2
89.02451	32.4
89.44066	1.4
96.80337	1.6
97.02992	2.0
98.22553	2.8
101.02454	73.2
102.02821	1.9
103.04020	36.8
109.02979	1.6
113.02469	6.6
115.04018	12.7
116.62286	1.3
117.74899	1.2
119.03519	13.5
123.04562	1.8
125.02435	6.5
125.46832	1.3
127.04005	2.8
131.03514	21.8
141.09224	31.0
141.71326	1.3
143.03510	20.4
145.05069	8.3
159.10365	1.5
161.04497	2.0
163.06134	96.5
164.06430	2.2
201.99063	1.3
203.18810	1.3
205.07166	42.6
205.09016	2.6
206.07446	1.7
265.09335	9.3
284.27081	1.4
289.07013	1.8
335.20718	4.6
407.07880	6.7
449.07953	2.1
465.99240	1.4
467.10168	1.5
467.21231	38.8
468.21802	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
57.03465	0.7
58.00600	0.8
59.01386	17.6
62.95795	0.7
63.44920	0.7
69.20223	4.8
71.01391	11.5
72.22053	0.6
72.99307	1.3
73.02952	9.1
74.02482	1.8
80.91702	0.7
81.19967	0.6
83.01394	1.3
85.02956	4.8
85.91628	0.7
86.00082	1.4
86.02464	0.9
87.00887	7.3
87.04514	3.0
89.02454	4.3
93.03474	0.7
97.02959	1.0
99.00886	0.8
99.05637	1.4
101.02447	8.9
103.04011	3.6
109.02945	1.4
113.02460	1.1
113.08946	1.1
113.09743	21.7
115.04011	4.7
119.03480	1.6
123.04501	1.2
125.02433	2.1
128.03569	4.8
131.03529	6.3
137.02429	1.1
141.09204	2.8
143.03503	7.4
143.04634	5.9
143.10788	0.9
145.05067	1.8
151.03996	0.8
151.07700	1.0
155.10776	1.2
159.10277	40.4
160.10645	1.2
161.04538	0.8
163.06154	4.7
163.07373	0.9
179.04660	1.0
180.02550	0.8
185.05518	0.9
192.26219	0.6
195.04854	13.6
197.06511	1.4
203.07076	0.9
205.07179	8.0
210.08875	1.8
217.01236	0.7
248.34076	0.6
254.07896	2.6
267.15854	1.0
272.08936	7.5
289.07196	0.8
321.15567	0.7
344.90826	0.7
402.10532	0.7
419.53156	0.6
467.21347	100.0
468.14847	1.1
468.21661	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95449	1.4
57.07701	1.6
59.01373	2.3
71.30622	2.3
74.21886	1.5
78.95915	45.9
81.70602	1.5
93.03448	2.1
96.96993	3.4
152.99596	58.6
171.00648	18.8
218.66101	1.6
227.03148	3.2
239.20172	57.1
240.20517	3.6
245.04324	100.0
246.04695	3.2
340.25171	1.7
381.57404	1.7
467.24179	26.7
467.31595	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01339	1.1
55.01882	1.3
57.03447	4.5
58.49759	1.2
59.01384	100.0
60.01725	1.3
61.01818	1.4
61.98562	1.7
61.98840	21.4
63.45160	1.2
63.82759	1.1
67.01900	2.2
69.03439	1.9
69.66718	4.0
69.67126	1.7
71.01386	29.4
72.99294	4.4
73.02954	3.9
78.95914	1.6
81.03463	2.4
83.01391	3.8
84.17670	1.1
85.02968	14.2
87.00892	6.8
89.02454	37.3
93.03469	12.9
95.01407	2.8
96.96011	7.1
97.02967	1.4
97.06612	2.5
98.08291	1.7
99.00860	1.7
101.02453	15.6
107.01378	1.2
109.02966	4.7
111.04515	3.4
113.02467	13.3
115.92069	4.3
117.03483	1.5
119.03519	19.4
119.05010	7.6
121.02971	3.2
123.04545	4.2
125.02454	30.9
126.02800	7.6
127.02891	5.4
127.04011	3.5
129.01939	1.3
131.03520	2.8
134.03737	2.9
135.04541	2.0
137.02466	2.9
143.03514	4.0
146.03741	4.4
147.04527	4.0
149.02461	7.1
149.06042	2.1
151.00400	6.3
151.04015	5.0
152.00746	2.0
153.00848	1.8
153.02003	6.9
154.02217	1.9
155.03487	3.3
159.04562	1.8
159.07986	1.3
161.02443	4.6
161.04521	7.3
161.05928	1.7
163.04047	3.8
164.04781	4.1
173.04568	23.9
173.06030	2.7
175.00409	1.9
175.04012	5.4
175.07664	15.5
176.00674	1.4
176.04807	12.7
176.89270	1.3
177.01941	4.2
177.09210	8.6
178.02344	2.9
178.99846	4.3
179.05704	12.3
179.07111	2.1
180.00218	1.6
181.01494	2.2
182.01785	1.6
187.04092	1.9
187.07610	10.8
188.04733	1.3
189.05511	3.4
190.06380	4.3
191.05627	78.6
192.05984	3.6
195.03053	1.7
201.09256	2.8
202.06337	5.2
203.07178	2.4
205.01227	1.6
205.08708	26.2
206.08961	1.9
207.10323	2.7
208.03679	3.1
217.05161	1.5
219.03030	1.5
219.10265	11.8
223.06122	10.6
231.10277	15.1
233.08290	2.1
249.11340	34.2
250.11636	2.7
270.04071	1.4
275.05780	3.1
275.09250	4.4
276.05872	2.8
277.06192	4.7
285.04108	6.7
286.04364	6.6
287.04660	12.5
293.10336	8.0
299.05673	1.8
301.05911	1.3
303.05087	6.1
304.05490	7.4
305.05655	14.3
305.19656	1.7
343.05594	1.5
344.07065	1.6
345.07285	2.0
407.22815	22.9
408.23206	2.8
409.07977	1.6
421.20694	3.0
437.14432	4.5
438.14441	1.3
449.09869	2.8
467.15793	20.5
467.21490	1.8
467.25232	2.8
468.16000	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01339	1.1
55.01882	1.3
57.03447	4.5
58.49759	1.2
59.01384	100.0
60.01725	1.3
61.01818	1.4
61.98562	1.7
61.98840	21.4
63.45160	1.2
63.82759	1.1
67.01900	2.2
69.03439	1.9
69.66718	4.0
69.67126	1.7
71.01386	29.4
72.99294	4.4
73.02954	3.9
78.95914	1.6
81.03463	2.4
83.01391	3.8
84.17670	1.1
85.02968	14.2
87.00892	6.8
89.02454	37.3
93.03469	12.9
95.01407	2.8
96.96011	7.1
97.02967	1.4
97.06612	2.5
98.08291	1.7
99.00860	1.7
101.02453	15.6
107.01378	1.2
109.02966	4.7
111.04515	3.4
113.02467	13.3
115.92069	4.3
117.03483	1.5
119.03519	19.4
119.05010	7.6
121.02971	3.2
123.04545	4.2
125.02454	30.9
126.02800	7.6
127.02891	5.4
127.04011	3.5
129.01939	1.3
131.03520	2.8
134.03737	2.9
135.04541	2.0
137.02466	2.9
143.03514	4.0
146.03741	4.4
147.04527	4.0
149.02461	7.1
149.06042	2.1
151.00400	6.3
151.04015	5.0
152.00746	2.0
153.00848	1.8
153.02003	6.9
154.02217	1.9
155.03487	3.3
159.04562	1.8
159.07986	1.3
161.02443	4.6
161.04521	7.3
161.05928	1.7
163.04047	3.8
164.04781	4.1
173.04568	23.9
173.06030	2.7
175.00409	1.9
175.04012	5.4
175.07664	15.5
176.00674	1.4
176.04807	12.7
176.89270	1.3
177.01941	4.2
177.09210	8.6
178.02344	2.9
178.99846	4.3
179.05704	12.3
179.07111	2.1
180.00218	1.6
181.01494	2.2
182.01785	1.6
187.04092	1.9
187.07610	10.8
188.04733	1.3
189.05511	3.4
190.06380	4.3
191.05627	78.6
192.05984	3.6
195.03053	1.7
201.09256	2.8
202.06337	5.2
203.07178	2.4
205.01227	1.6
205.08708	26.2
206.08961	1.9
207.10323	2.7
208.03679	3.1
217.05161	1.5
219.03030	1.5
219.10265	11.8
223.06122	10.6
231.10277	15.1
233.08290	2.1
249.11340	34.2
250.11636	2.7
270.04071	1.4
275.05780	3.1
275.09250	4.4
276.05872	2.8
277.06192	4.7
285.04108	6.7
286.04364	6.6
287.04660	12.5
293.10336	8.0
299.05673	1.8
301.05911	1.3
303.05087	6.1
304.05490	7.4
305.05655	14.3
305.19656	1.7
343.05594	1.5
344.07065	1.6
345.07285	2.0
407.22815	22.9
408.23206	2.8
409.07977	1.6
421.20694	3.0
437.14432	4.5
438.14441	1.3
449.09869	2.8
467.15793	20.5
467.21490	1.8
467.25232	2.8
468.16000	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2806
Annotation	Zhankuic acid A
Peak:m/z	Relative Intensity
57.03440	5.0
59.98516	3.0
69.03456	4.0
69.05422	19.1
83.05020	4.7
85.02959	4.4
88.63062	2.0
95.05043	6.0
97.02954	4.1
97.06608	2.7
99.04530	4.9
105.07108	2.2
109.06584	4.2
111.04539	3.0
111.08179	2.1
121.06593	2.2
123.08192	4.2
125.09790	2.3
135.08174	2.2
138.06902	6.8
139.07660	4.7
145.06606	2.2
147.08122	3.0
158.00064	1.9
162.03297	1.9
162.73747	2.2
175.54405	2.1
219.42281	2.0
347.23843	6.4
361.25409	2.5
365.24927	3.1
376.24081	17.5
377.24603	2.6
405.28421	2.8
425.30545	2.9
433.27377	7.4
434.27957	3.0
449.26956	4.6
467.27505	100.0
468.27377	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3167
Annotation	Euscaphic Acid F
Peak:m/z	Relative Intensity
59.01386	6.6
69.13478	7.0
86.70038	0.9
91.47425	0.9
98.08083	0.8
107.26575	1.0
123.08186	3.1
146.88844	0.9
150.68620	0.9
200.73105	1.0
224.57712	0.9
264.21765	1.1
324.69687	1.0
405.31583	5.0
407.29428	2.1
423.32709	24.2
424.33139	2.1
431.57712	1.0
449.30618	6.5
467.31674	100.0
468.32083	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3168
Annotation	3,11-Dioxoolean-12-en-28-oic acid
Peak:m/z	Relative Intensity
56.76060	0.3
59.01374	0.7
61.62292	0.3
71.19917	0.4
75.54678	0.3
79.33279	0.3
90.72649	0.2
98.22334	0.3
129.29565	0.3
135.97137	0.3
156.07047	0.3
161.04178	0.3
185.51810	0.3
186.90240	0.4
277.35779	0.3
347.27701	0.3
363.30728	0.9
365.28598	1.1
379.33740	0.4
402.78635	0.4
405.31659	1.8
423.32693	31.6
424.33130	3.7
448.51071	0.3
449.30646	6.0
450.31061	1.0
467.31662	100.0
468.32031	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.18755	1.1
70.48882	1.1
71.00022	2.2
71.97209	1.2
73.56195	1.3
78.95909	58.1
79.52422	1.2
83.78199	1.2
91.74954	1.2
96.96983	5.0
106.13522	1.3
116.92862	3.3
136.91788	2.2
150.98067	2.4
152.99596	87.7
153.59900	1.4
171.00616	2.3
177.15172	1.3
196.57529	1.2
210.95351	2.0
255.23360	2.0
300.02527	1.3
395.29858	1.5
409.23639	21.3
423.32608	11.2
449.30591	1.6
467.19437	9.6
467.31662	100.0
468.31900	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.317
Annotation	Euscaphic Acid F
Peak:m/z	Relative Intensity
51.02941	0.2
59.01369	0.5
59.98510	0.3
71.20430	0.3
71.20761	0.4
83.05030	0.3
90.74024	0.2
111.12888	0.4
132.00850	0.3
170.68170	0.3
187.82715	0.3
256.85651	0.3
262.99442	0.3
339.08325	0.3
351.95639	0.3
353.24985	2.1
363.30576	0.3
405.31683	6.8
406.32080	0.8
407.29886	0.4
423.32706	57.0
424.33020	6.4
430.41400	0.3
449.30646	10.2
450.31024	1.0
467.31677	100.0
468.32050	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
69.03461	0.9
69.11356	4.7
69.11772	1.3
70.29066	0.6
83.05030	10.6
85.06577	1.1
90.34098	0.5
93.03440	0.8
101.54785	0.6
109.06621	2.3
381.27838	1.2
407.29431	2.3
423.32706	32.4
424.32755	4.2
449.30588	1.7
451.02560	0.6
467.31668	100.0
468.32074	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95298	1.4
71.31691	1.9
83.05073	1.9
85.06585	6.5
97.06591	4.6
102.89437	1.3
109.06668	1.4
123.08163	3.4
131.21480	1.3
140.57906	1.4
152.99619	1.5
288.58539	1.3
371.25879	5.9
405.31638	1.7
423.32779	20.5
424.32959	3.2
467.31677	100.0
468.32098	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
67.43231	0.4
67.70140	0.5
70.92189	0.9
71.01354	0.5
78.95444	1.0
78.95905	17.2
96.96981	1.2
98.03741	0.5
103.33010	0.4
136.91774	0.5
150.98047	0.6
152.99602	23.2
171.00648	0.9
174.32391	0.5
377.28580	0.5
381.66315	0.5
395.29312	1.0
409.23694	6.5
423.32642	4.2
449.30478	1.0
467.31677	100.0
468.32086	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90219	0.5
51.04408	0.5
59.01371	0.6
69.10556	1.5
69.10957	5.0
70.76972	0.6
111.04485	0.5
132.24568	0.6
151.16809	0.6
213.48358	0.6
354.10239	0.6
355.26437	6.4
377.24466	0.7
393.19101	0.5
423.32745	11.3
424.33023	1.2
449.30688	4.2
450.30414	0.7
467.31677	100.0
468.32037	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70187	0.6
57.03463	0.6
59.01395	0.9
61.98835	100.0
69.43737	1.7
69.44150	2.2
83.01413	1.0
83.67612	0.6
93.03490	1.7
97.03014	0.8
108.88003	0.6
109.02975	0.9
119.86680	0.7
121.03009	0.8
123.01002	0.8
125.02443	7.0
126.02840	2.7
135.04524	0.7
137.02472	5.0
138.02827	1.1
139.04082	1.5
161.02518	1.3
161.05853	0.8
162.02820	1.2
165.01965	2.2
166.02322	0.8
167.03574	2.6
168.03868	1.0
177.01981	2.0
179.03560	0.7
205.04857	0.7
262.07971	1.2
289.07321	2.4
290.07672	1.4
305.06711	1.5
306.07013	4.9
328.92554	0.7
433.13489	0.9
462.11874	0.9
468.12271	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.145
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	4.4
59.01376	2.0
68.98584	1.1
68.98795	2.4
68.99205	7.5
68.99708	1.1
71.01392	2.2
73.58777	1.2
74.02464	9.0
82.02995	1.4
82.70032	1.0
86.02469	5.0
86.06167	1.0
87.00856	1.7
87.05632	1.7
89.02452	1.6
96.52412	1.0
97.04111	2.1
99.05621	9.2
101.02482	2.0
102.05598	1.7
105.70114	1.0
105.99738	1.3
106.66360	1.0
109.04109	1.4
113.09748	1.5
119.05036	1.7
125.03568	1.7
128.03552	35.8
135.05632	1.8
143.04628	42.2
145.06184	1.2
145.98108	1.0
146.04599	4.5
151.00395	1.9
151.07716	5.2
153.06726	2.4
159.10291	3.0
160.10611	3.1
161.06079	2.3
163.07701	4.3
167.05376	2.2
179.04639	9.2
180.02533	2.8
182.09416	1.1
185.05705	2.1
195.04860	100.0
196.05173	5.2
197.06491	9.4
210.08818	6.9
252.06226	1.3
254.07826	15.2
271.06192	7.5
272.08893	43.0
273.09204	1.6
304.06351	2.6
323.06775	1.2
339.33786	1.3
390.63223	1.1
468.14462	4.0
468.21652	10.9
469.22049	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	12.6
61.98825	3.2
71.01384	5.5
83.89694	2.8
89.02467	3.4
93.03504	3.3
98.22560	4.9
101.02419	4.2
105.28586	2.9
109.02942	3.9
113.02435	4.6
116.04607	2.9
123.04530	4.8
134.03767	28.3
135.04114	13.8
136.01706	4.0
137.02444	4.5
151.03954	4.6
151.96808	3.2
156.03896	3.3
173.04558	18.3
174.04918	6.8
178.02597	3.6
190.90688	2.9
191.05521	4.6
203.10774	5.3
204.11548	19.1
219.13925	13.9
231.10153	4.2
232.10571	8.5
246.03491	3.1
248.22629	2.9
263.12906	100.0
264.13290	7.0
275.09311	4.4
276.09546	5.4
293.10355	14.2
294.10660	19.4
302.22519	3.2
345.97449	3.5
413.44562	3.0
455.41910	3.5
459.88852	3.5
468.15530	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83986	0.8
56.15925	0.8
59.01384	31.9
60.01715	3.9
61.01810	6.6
61.98835	100.0
68.59593	1.0
69.35692	6.4
70.70761	0.9
71.01396	5.4
71.03860	0.8
73.02995	1.4
85.02956	1.8
85.07224	0.8
87.00862	1.0
89.02449	5.0
89.95303	0.8
90.02771	1.3
98.21816	1.9
101.02431	2.2
109.02939	1.2
113.02451	2.0
119.03483	2.5
119.05050	1.1
128.35210	1.0
137.02454	1.5
169.24596	0.9
176.04651	1.2
179.03564	1.0
179.05707	1.0
180.04282	1.4
191.05663	4.1
192.06046	1.5
195.06708	2.2
206.09128	1.4
232.10426	1.2
247.71837	1.0
250.11655	1.1
289.07098	1.3
468.16293	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44139	1.0
57.03434	2.0
59.01360	1.8
61.98827	1.1
62.08017	0.9
63.13076	0.9
65.03951	0.9
69.51297	2.8
69.51702	1.4
71.01373	1.6
73.84148	0.8
75.76019	0.9
81.03459	2.0
83.01404	2.8
93.03478	2.2
95.01379	1.7
95.05018	4.3
96.96930	1.0
97.02954	6.4
107.05014	2.0
108.02171	1.5
109.02252	1.9
109.02962	31.7
111.04568	1.0
117.03434	1.2
121.02972	3.2
122.03739	1.7
123.04527	19.0
125.02453	14.9
133.02962	1.2
134.03658	1.3
135.04535	37.9
136.04825	1.7
137.02469	18.2
139.04005	4.6
145.02995	1.4
146.03687	2.3
147.04509	1.7
149.02467	5.9
149.06039	1.1
150.03268	1.3
151.02884	1.4
151.04016	16.7
159.04515	3.6
160.05206	1.2
161.02429	2.7
161.06093	7.7
162.03265	2.3
162.06372	1.0
163.04037	5.5
164.01146	2.5
165.01939	8.2
166.02740	1.1
167.03488	1.6
175.04004	2.9
175.07620	2.1
177.01997	0.9
177.05608	2.8
179.03535	9.0
180.04189	3.1
185.06067	1.1
187.03976	5.9
188.04761	4.3
190.02782	1.5
191.03572	2.7
193.05070	1.4
195.06657	6.8
201.05589	2.0
201.09303	1.2
202.06317	2.4
202.75111	1.0
203.07161	13.3
205.05075	13.4
206.05301	1.1
221.08185	3.3
225.07666	2.1
227.07117	1.9
229.08760	1.3
230.05812	1.3
245.08197	15.8
246.08530	1.5
247.05963	1.4
271.09698	2.0
289.07187	100.0
290.07513	6.9
303.94189	1.0
315.05258	1.8
315.08777	28.0
316.08972	3.4
317.06628	3.2
341.06540	1.6
421.15451	1.0
469.10971	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01209	0.7
59.01375	2.6
69.51129	4.3
79.95744	100.0
90.92118	0.7
95.95247	11.7
96.96025	34.0
100.86494	0.7
104.85381	0.6
109.96840	1.1
110.97584	18.9
120.21246	0.7
128.24434	0.7
136.99150	3.0
141.95787	18.1
151.00648	1.2
152.98729	0.9
161.02464	0.9
165.02284	2.6
203.20227	0.7
229.75461	0.8
236.57088	0.7
247.13487	2.0
248.07108	0.8
418.17413	0.9
454.13058	0.8
469.15427	83.2
469.21115	2.8
470.15704	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	68.3
59.01387	11.8
61.98844	1.2
63.36929	0.6
69.06902	6.9
71.01389	4.9
73.02950	2.0
81.03480	1.2
83.01389	1.5
84.20328	0.6
85.02970	3.0
99.00892	0.9
99.04527	39.9
99.21133	0.6
100.04852	0.8
101.02455	13.3
113.02450	1.9
120.76063	0.7
125.02464	15.5
143.03488	0.8
147.04533	1.2
148.05324	100.0
149.05617	4.1
161.04568	4.9
163.07666	90.1
164.07959	3.2
179.14583	0.9
195.74620	0.6
291.18091	1.6
335.36624	0.7
469.29410	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	59.8
58.03770	0.5
58.15279	0.5
59.01384	5.1
61.98814	0.7
69.03516	1.1
69.03918	5.5
71.01390	1.3
71.72837	0.6
73.02932	0.8
76.11761	0.6
81.03481	0.7
83.01400	0.7
85.02933	1.1
99.04530	34.3
100.04885	0.8
101.02455	11.8
107.73851	0.5
125.02467	16.4
130.91243	0.6
148.05319	100.0
149.05632	2.9
161.04552	2.4
163.07666	99.9
164.07967	3.6
186.94020	0.6
194.25731	0.6
254.37892	0.6
370.61136	0.6
396.79028	0.6
403.76630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53065	1.1
51.17336	1.3
57.03447	6.3
59.01385	68.3
60.01710	1.0
61.98841	11.2
69.04240	2.6
69.04646	9.4
71.01395	5.0
85.02950	1.2
85.06596	5.1
89.02454	2.8
96.96035	1.3
97.06640	1.2
101.02460	3.0
113.02477	4.7
119.03491	1.5
121.02995	2.1
125.02460	1.3
126.61806	1.2
135.08231	1.5
148.69588	1.2
158.17000	1.2
200.52831	0.9
201.12854	1.7
203.14517	5.9
204.45573	1.2
237.44260	1.2
245.11775	3.1
247.13405	100.0
247.51811	1.2
248.13751	6.0
261.14938	1.6
266.53381	1.0
269.17511	2.0
289.14456	3.9
319.15424	1.6
345.05997	1.2
492.19342	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53065	1.1
51.17336	1.3
57.03447	6.3
59.01385	68.3
60.01710	1.0
61.98841	11.2
69.04240	2.6
69.04646	9.4
71.01395	5.0
85.02950	1.2
85.06596	5.1
89.02454	2.8
96.96035	1.3
97.06640	1.2
101.02460	3.0
113.02477	4.7
119.03491	1.5
121.02995	2.1
125.02460	1.3
126.61806	1.2
135.08231	1.5
148.69588	1.2
158.17000	1.2
200.52831	0.9
201.12854	1.7
203.14517	5.9
204.45573	1.2
237.44260	1.2
245.11775	3.1
247.13405	100.0
247.51811	1.2
248.13751	6.0
261.14938	1.6
266.53381	1.0
269.17511	2.0
289.14456	3.9
319.15424	1.6
345.05997	1.2
492.19342	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32103	12.3
59.01375	39.9
61.98815	13.2
71.01378	28.8
71.31868	15.1
72.04003	10.4
73.02917	10.8
85.02936	19.6
86.09493	11.5
89.02426	13.5
90.33197	11.7
134.03728	60.5
135.04262	26.3
173.04523	14.4
178.02661	17.1
179.03230	11.6
238.18613	15.3
239.33430	11.6
258.17105	13.2
298.16708	11.3
385.74954	13.5
433.24365	100.0
434.24722	16.7
469.16101	20.1
469.21738	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32103	12.3
59.01375	39.9
61.98815	13.2
71.01378	28.8
71.31868	15.1
72.04003	10.4
73.02917	10.8
85.02936	19.6
86.09493	11.5
89.02426	13.5
90.33197	11.7
134.03728	60.5
135.04262	26.3
173.04523	14.4
178.02661	17.1
179.03230	11.6
238.18613	15.3
239.33430	11.6
258.17105	13.2
298.16708	11.3
385.74954	13.5
433.24365	100.0
434.24722	16.7
469.16101	20.1
469.21738	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10448	0.5
58.46521	0.6
59.01397	0.8
74.04319	0.6
74.33296	0.6
95.01419	0.7
97.06641	0.6
99.04523	1.1
109.18015	0.6
111.04492	0.6
123.00901	8.0
124.01678	42.6
125.02538	5.4
138.03218	6.9
139.04030	39.5
140.04341	1.8
141.09283	1.0
143.11145	0.6
188.77359	0.6
189.05556	1.3
202.06352	0.6
213.05588	0.8
217.05098	3.5
228.07840	1.3
229.08641	0.7
241.05273	1.3
241.08815	1.0
242.05788	1.7
243.06508	0.9
244.07394	0.9
245.08282	0.7
255.06551	0.8
256.07510	3.0
256.10980	3.3
257.08289	2.9
257.11789	1.9
269.08118	0.9
270.09082	0.8
271.13284	3.8
272.13962	0.9
283.09930	1.4
284.10437	2.0
285.11414	2.4
297.14932	0.6
299.12891	6.4
300.13544	3.2
306.06036	0.7
314.15115	4.3
315.15811	0.6
322.15753	0.8
327.08810	0.7
341.10330	0.9
343.11853	1.1
349.25381	1.2
353.10037	0.8
357.13251	1.5
366.10785	0.7
371.15091	0.8
378.14685	0.9
379.15543	2.1
381.13425	0.9
382.10526	0.8
383.15051	2.2
393.17426	0.8
395.14844	1.4
396.15707	2.0
411.18542	22.2
412.18744	3.0
424.15536	0.7
425.20111	1.4
426.20456	7.9
427.20905	1.1
439.17563	7.1
440.18378	0.7
454.19904	18.2
455.20288	1.9
457.81161	0.6
469.22345	100.0
469.33295	4.9
470.22687	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2237
Annotation	Neokurarinol
Peak:m/z	Relative Intensity
58.29930	0.6
83.48261	0.6
95.05021	0.9
98.22523	2.1
99.04520	0.8
123.00890	7.5
124.01676	38.6
125.02528	3.5
138.03242	7.2
139.04030	44.6
140.04373	1.3
153.05606	0.8
192.44569	0.6
204.07921	0.7
213.05620	1.3
227.07114	2.0
228.07808	1.3
228.93527	0.7
232.27072	0.7
241.08664	3.7
242.09424	2.1
243.10205	1.5
255.06586	2.5
255.10349	2.5
256.07324	1.1
256.11066	5.0
257.11823	3.8
270.08972	6.2
271.09756	7.5
271.13354	1.9
285.11319	1.5
286.12405	0.8
299.13016	3.7
300.13535	1.7
314.15314	3.5
315.15903	1.0
341.10352	1.1
371.15097	1.6
378.14841	1.1
379.15506	1.4
381.13388	1.7
383.14758	3.2
384.15421	0.9
393.17297	0.9
395.15259	1.2
396.15707	1.4
397.16623	2.1
398.17264	1.3
407.14603	0.8
411.18164	22.9
412.18631	1.8
421.16632	2.0
425.15851	11.8
426.20547	2.5
436.18982	0.9
439.17700	10.9
440.18359	11.0
441.18930	1.2
454.19943	13.4
455.20334	1.4
469.22336	100.0
470.22687	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
84.06985	1.2
91.46819	1.5
98.22525	3.9
99.04533	1.6
107.68407	1.3
114.23917	1.3
123.00928	7.5
124.01675	42.1
125.02471	4.1
138.03204	7.0
139.04030	52.6
153.05548	1.7
159.21840	1.3
168.41508	1.5
187.04054	1.5
203.07190	1.7
227.07083	3.0
228.94614	2.4
241.08714	4.5
242.09366	2.3
243.10188	1.8
255.06415	2.5
256.11111	5.8
257.11887	2.6
270.09024	5.5
271.09818	7.8
285.11255	1.7
299.12961	4.9
314.15320	2.8
375.23480	1.6
381.13641	1.9
383.15158	2.6
393.24435	2.1
410.17517	2.4
411.18137	21.4
411.23962	1.8
411.25903	1.6
412.18094	1.6
421.16367	1.6
425.16071	9.8
426.20862	3.1
439.17767	9.1
440.18494	7.9
454.20035	15.8
469.22372	100.0
469.29510	7.6
470.22818	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.8
59.01385	28.4
61.98839	4.6
71.01385	38.1
73.02955	16.1
80.88310	2.4
83.01391	6.2
85.02955	21.6
86.00147	3.8
87.00879	2.8
89.02456	10.7
97.02959	2.4
98.22536	5.2
99.00914	8.3
101.02451	45.0
113.02452	17.7
135.04520	4.0
152.36633	2.8
159.03020	3.3
161.04539	15.1
169.84241	2.2
173.04599	3.8
177.01947	2.3
178.02745	3.4
229.20755	3.0
291.18167	100.0
292.18439	6.3
350.01700	2.1
423.22369	73.7
424.22668	7.5
451.15063	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41194	1.4
55.01868	3.8
59.01384	74.8
61.98837	2.0
68.48257	1.4
68.98513	13.6
71.01384	29.3
72.99318	2.0
73.02960	12.5
83.01388	6.0
84.10358	1.3
85.02963	15.7
87.00909	2.5
89.02447	6.6
95.01420	2.7
99.00898	6.4
101.02454	40.2
109.47727	1.4
113.02460	14.9
125.02437	1.5
131.03510	37.0
136.46581	1.6
143.03506	1.8
145.34471	1.6
148.52165	1.7
159.03026	2.4
160.04056	23.9
161.04611	13.8
277.16580	100.0
278.16837	6.1
309.18057	1.7
331.20743	1.9
347.09189	1.5
409.20862	17.7
415.06262	1.8
427.08664	1.8
469.21289	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.5
57.03446	1.9
58.00588	1.3
59.01386	86.3
60.01728	1.1
63.35582	1.1
71.01389	30.6
72.99305	1.6
73.02954	12.9
82.95416	2.0
83.01407	6.8
85.02961	19.0
87.00890	1.7
89.02444	5.2
95.01428	1.4
99.00899	7.1
101.02455	35.6
104.65881	1.0
113.02465	12.6
114.05638	2.5
120.40657	0.9
131.03517	44.7
133.03011	1.3
134.03731	1.6
135.04518	4.7
143.03528	2.6
159.02991	3.3
161.04573	15.3
165.16048	1.2
178.02582	1.5
252.05168	1.0
275.09256	1.7
277.16580	100.0
278.16821	5.9
294.10678	1.8
295.11099	1.6
409.20734	13.7
410.21268	1.4
469.27362	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	10.1
57.98786	1.9
63.05246	2.1
69.03481	2.8
71.05035	4.1
77.08417	2.2
80.59607	1.9
83.05054	7.2
97.02990	5.8
97.06635	7.3
98.22531	5.5
99.04528	18.3
106.51987	2.2
107.05074	4.6
109.06637	9.6
111.04592	2.4
111.08212	3.8
121.03015	3.6
137.06157	5.1
138.06888	17.3
139.07718	2.6
147.08221	3.9
149.09738	2.3
167.33138	2.5
172.37675	2.2
239.18164	5.3
255.17584	4.0
321.22266	2.4
333.25998	4.1
348.50674	2.3
349.25449	11.1
367.26666	2.7
375.23587	3.1
377.24869	78.0
377.29556	3.9
378.25461	9.5
393.24380	61.1
393.29272	3.5
394.24832	6.5
411.25491	9.5
469.29907	100.0
470.29990	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2964
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
57.03443	1.7
58.94501	0.7
59.01379	6.1
63.65145	0.7
67.10435	0.8
69.03471	1.5
71.05038	1.1
72.87562	0.7
83.05003	2.1
85.02934	1.0
88.95605	0.8
89.29724	0.7
91.21289	0.7
93.07178	1.0
97.06554	0.8
99.04510	1.8
103.01505	1.2
125.06094	1.0
139.07663	85.6
140.08009	2.2
171.10213	0.8
173.13419	1.3
229.15872	1.3
241.15921	0.9
257.15518	1.5
259.17096	1.5
281.04871	1.7
313.86679	0.8
315.19775	1.1
317.02631	1.2
337.25394	1.5
393.23502	0.8
433.14655	2.7
469.29614	100.0
470.11230	0.8
470.29956	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2963
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
53.68770	0.2
57.03445	0.5
58.31227	0.2
59.81822	0.2
68.98038	0.7
68.98444	1.0
69.03473	1.5
71.05017	0.7
83.05022	0.5
87.00867	0.5
93.07101	0.6
95.05035	0.3
97.02965	1.0
99.04535	0.3
109.06631	0.4
123.08176	0.5
137.06136	1.5
139.07663	100.0
140.07991	3.1
147.11784	0.2
151.07625	0.4
171.11774	0.4
253.15993	0.5
307.16901	0.3
317.19147	0.7
335.20142	1.4
349.25256	0.5
361.18338	0.3
379.18982	1.1
393.24316	2.3
397.20206	0.3
411.25494	0.5
432.30692	0.3
451.27106	0.3
469.29602	50.3
470.29996	7.1
491.17029	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52987	0.6
55.73817	0.5
55.97734	0.6
59.01368	0.9
69.23200	3.2
71.05022	1.4
78.95909	9.2
96.96972	1.3
99.04530	10.1
103.37192	0.6
103.49386	0.6
152.99600	11.6
174.45985	0.5
255.23563	0.7
369.24380	21.0
370.24924	2.4
383.26038	1.4
409.23398	3.5
411.25232	3.4
425.34351	4.8
427.28537	10.1
428.29068	1.0
451.32278	11.8
452.32724	1.3
469.33435	100.0
470.33795	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3297
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
57.06271	0.2
68.98849	0.9
68.99281	0.9
71.25225	0.2
84.89168	0.2
85.06601	0.5
92.85209	0.2
93.85264	0.2
97.06614	0.3
98.22543	0.4
99.04537	2.5
122.79430	0.2
123.08121	0.3
131.40164	0.2
141.09273	0.2
146.44859	0.2
151.07620	0.3
240.28554	0.2
369.13535	0.4
369.79242	0.2
407.33102	0.4
410.08789	0.2
417.93784	0.2
425.34286	0.4
469.33273	100.0
470.33624	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97078	0.6
58.39791	0.6
69.16168	1.6
69.16586	3.0
71.01363	1.2
73.02956	1.6
85.89091	0.7
87.07641	0.7
98.21830	1.6
104.77742	0.7
109.05457	0.7
140.11543	0.6
219.55022	0.7
369.24356	2.8
407.33359	1.7
425.34274	27.7
426.34637	3.3
433.31189	0.9
451.32214	9.9
452.32349	1.2
469.33246	100.0
470.33588	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11211	1.8
67.45896	1.8
70.96074	1.4
71.05017	7.7
87.04529	3.5
108.51726	1.7
367.26459	11.8
381.28012	3.3
382.28943	3.1
425.34363	10.9
440.94141	1.7
451.32953	1.9
469.33264	100.0
470.33762	12.7
492.39410	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3323
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
55.32530	0.7
61.26365	0.7
106.50961	0.8
118.51294	0.9
132.60524	0.7
163.77151	0.7
203.24310	0.8
229.33884	0.9
269.72089	0.8
316.23602	0.8
367.30719	0.8
397.30914	1.0
416.42130	0.7
425.34277	49.2
426.34677	6.2
432.45981	0.8
451.32101	9.6
469.33264	100.0
470.33646	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
58.66614	0.5
69.03455	3.6
70.86856	1.0
80.33975	0.5
83.05038	0.5
85.02956	24.4
85.06592	2.9
86.03318	0.6
99.04536	0.7
111.08202	2.2
125.97389	0.5
200.68451	0.5
270.71973	0.5
306.75864	0.6
381.27722	0.6
383.29535	5.9
384.29578	0.6
423.32886	1.1
425.34250	5.6
439.32581	0.5
449.88467	0.5
451.32114	3.8
452.32452	0.5
469.33252	100.0
470.33633	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
62.70728	0.6
70.95617	1.8
73.03749	0.7
84.97699	0.7
151.22488	0.8
265.86124	0.6
273.63382	0.8
369.06149	0.7
425.34332	9.8
451.32077	2.1
469.33240	100.0
470.33582	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50295	0.4
57.03440	0.7
63.33876	0.4
69.03468	3.2
69.07026	1.6
69.07446	2.8
85.02958	26.6
85.06606	3.1
99.04515	0.7
99.56935	0.4
111.08158	1.0
151.89848	0.4
180.26823	0.6
183.83847	0.5
184.87523	0.4
215.77711	0.4
233.62025	0.4
234.02324	0.4
275.05273	0.5
276.36621	0.5
381.27649	0.6
383.29428	5.5
384.29617	0.5
423.32700	1.0
424.29022	0.5
425.34424	6.4
426.34567	1.1
451.32217	3.2
452.32684	0.6
466.44229	0.6
469.33279	100.0
470.33600	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61146	0.6
69.16020	2.5
69.16505	3.4
82.12996	0.7
82.98428	0.7
85.00153	0.7
98.21717	1.2
130.96693	0.7
175.10580	0.7
425.34250	39.4
426.34686	4.6
451.32230	6.4
469.33243	100.0
470.33542	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89484	1.2
62.92008	1.1
71.32395	2.4
85.53773	1.1
138.64532	1.2
142.86967	1.4
148.26018	1.2
157.69926	1.4
172.26224	1.5
423.32736	3.5
425.34445	2.6
469.33258	100.0
470.33542	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78160	0.7
51.80708	0.6
57.75702	0.6
70.84219	0.6
70.95344	1.7
76.57526	0.6
77.71782	0.6
77.98996	0.6
85.06611	0.9
123.08148	0.7
132.42847	0.6
214.64934	0.6
224.13718	0.6
232.55402	0.6
232.61876	0.7
407.33145	1.1
469.33252	100.0
470.33618	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24841	0.4
65.88213	0.4
70.93287	0.8
71.01379	0.7
72.73319	0.3
119.15882	0.4
137.29929	0.4
238.61217	0.4
255.49811	0.4
280.01706	0.4
425.34274	7.4
426.34995	0.6
451.32141	2.0
469.33246	100.0
470.33575	14.1
477.68246	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.2
57.83736	0.5
63.32159	0.5
68.11226	0.6
69.03449	0.8
71.00557	1.3
85.06595	10.5
108.96793	0.6
111.04528	1.0
111.08183	6.0
162.73793	0.6
235.49792	0.6
294.19751	0.6
397.12354	0.7
425.34311	10.1
426.34653	1.3
429.14972	0.7
451.31934	4.5
469.33249	100.0
470.33679	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3307
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
57.03448	0.2
69.08532	0.6
69.08971	0.7
85.06590	0.6
97.06583	0.3
116.46886	0.1
117.54327	0.1
119.49554	0.1
123.08192	0.2
128.46867	0.1
151.07718	0.2
162.11935	0.1
189.06346	0.1
224.76797	0.1
339.08231	0.1
393.24097	0.2
407.33060	0.4
425.34311	0.3
469.33252	100.0
470.33609	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	0.9
69.69444	2.5
71.05005	0.7
77.41266	0.5
83.05029	7.0
88.37455	0.5
90.77561	0.5
99.04529	100.0
100.04868	1.8
109.06598	1.8
180.04938	0.5
184.10320	0.6
239.45663	0.6
242.18652	0.5
369.24686	2.0
383.29968	0.6
409.31442	1.6
425.34320	22.7
426.34885	3.6
469.33698	39.7
470.33887	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.369
Annotation	Combretanone G
Peak:m/z	Relative Intensity
55.69613	0.8
60.73110	0.9
71.26759	1.4
73.62395	0.8
93.99574	0.8
108.07609	1.0
132.77759	0.7
139.13264	0.7
171.13185	0.8
203.95120	0.8
261.08875	0.9
314.13657	0.8
369.31494	0.9
381.79224	0.8
425.34280	2.2
428.34338	0.9
469.36990	100.0
470.37399	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.1
59.01381	6.7
61.69103	0.9
61.98837	9.9
67.38557	0.9
69.14009	8.5
71.01385	2.0
72.99329	1.2
73.02933	1.0
78.43336	1.0
81.16209	1.0
83.01382	1.1
85.02950	1.6
89.02438	1.3
93.03468	7.5
101.02465	2.1
109.02969	12.1
111.04484	0.9
113.02457	1.3
117.03499	1.4
119.05038	4.1
123.04526	10.3
125.02452	4.1
133.02953	4.8
134.03772	0.9
135.04524	1.3
137.02461	1.6
139.04094	1.1
145.02980	8.4
147.04523	2.2
149.02412	1.5
150.01131	0.8
150.03207	1.0
151.00192	0.9
151.04022	6.7
151.92116	0.9
159.04503	1.0
161.06091	1.0
162.03242	1.0
163.03986	1.5
165.09077	1.2
173.04532	1.1
176.01219	1.0
177.00514	1.3
177.01955	24.4
187.04034	3.0
188.04773	1.9
189.01949	19.6
189.05681	1.2
190.02705	8.3
191.03473	4.1
200.00951	3.3
203.03552	2.1
203.07123	1.3
205.04921	0.9
211.13441	1.2
216.00731	5.2
217.01425	17.9
218.02176	1.4
219.02943	8.9
227.07056	1.9
229.05122	1.9
229.08701	1.8
231.02991	6.1
232.03880	1.2
245.08255	1.7
249.15013	4.3
271.06174	7.9
281.04575	8.1
282.05231	1.5
283.06180	2.5
289.07214	4.5
295.06317	1.4
297.07584	5.8
307.08157	0.9
311.05551	2.7
313.07285	0.9
341.06671	100.0
342.07059	6.8
374.06168	3.2
433.11432	1.8
435.10904	44.5
436.10846	5.1
471.30252	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.5
57.03445	2.8
59.01091	2.7
59.01379	40.5
61.98823	1.9
67.54457	1.5
71.01385	36.6
71.30592	1.4
72.99291	1.4
73.02953	8.4
78.62860	1.2
80.00469	1.2
83.01375	5.1
85.02952	15.7
87.00904	1.7
89.02451	13.2
93.03474	1.4
95.01398	2.7
96.96035	7.4
99.00903	5.5
101.02441	30.5
113.02460	15.4
116.92869	3.2
119.03520	3.0
119.05016	14.7
125.02451	6.0
131.03479	2.4
143.03516	3.1
149.04572	1.5
159.03043	3.1
161.04576	17.4
163.04041	9.6
163.99794	1.5
177.01913	1.9
179.05458	1.4
182.35521	1.2
193.05167	2.7
204.04201	1.6
260.22247	1.7
279.14505	100.0
280.14807	6.8
311.05475	1.6
317.47211	1.5
411.18628	17.0
471.14523	7.3
490.10031	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.4
56.54486	1.1
57.03448	2.3
59.01094	2.1
59.01384	40.3
61.98817	5.3
69.70995	5.5
71.01387	41.8
73.02953	10.3
75.00869	2.0
82.61623	1.0
83.01392	4.7
85.02952	19.6
87.00877	2.1
89.02456	12.0
93.03476	1.2
95.01392	1.6
96.95991	7.9
97.02942	1.4
99.00884	5.4
101.02448	28.9
113.02448	12.4
119.03506	2.5
119.05047	3.7
123.04541	1.5
125.02444	5.0
125.83947	1.0
131.03508	3.6
133.03008	1.7
135.04552	1.0
137.02505	1.1
143.03534	1.8
149.04597	1.4
151.03932	1.1
159.03000	4.8
161.02458	2.1
161.04562	22.8
163.03981	2.3
173.04567	1.8
175.04065	1.1
176.56708	1.0
177.01993	1.8
188.20163	1.1
191.05602	9.7
238.29219	1.2
249.07800	1.2
279.14508	100.0
280.14856	6.0
289.07184	2.8
411.18762	23.0
412.18610	1.4
471.19458	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.3
57.03442	1.8
59.01383	100.0
69.25241	8.1
71.01387	32.8
73.02946	8.5
83.01411	4.6
85.02962	12.8
89.02463	10.8
95.01412	1.9
96.96049	1.4
99.00892	3.6
101.02454	26.1
112.55740	1.0
113.02459	18.0
116.67994	1.2
116.92521	1.2
119.03487	5.3
125.02449	1.6
135.08199	1.7
137.02443	1.5
143.03529	2.6
149.09747	10.5
159.02971	3.9
161.02521	1.8
161.04565	26.6
173.09814	1.2
201.12814	1.6
202.58803	1.0
219.13942	1.9
231.13895	11.3
249.14920	10.8
263.12949	2.2
309.16956	1.0
344.72476	1.1
411.20282	65.2
412.20486	6.5
471.22314	1.3
475.26071	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30667	0.7
57.03448	1.4
57.96911	0.6
59.01383	81.1
61.98816	0.8
65.97065	0.7
69.11286	7.3
71.01385	3.5
83.01407	0.9
85.02960	1.3
89.02451	2.4
93.16995	0.7
98.21843	1.7
101.02430	2.2
113.02451	3.0
119.03499	2.2
161.04530	2.3
179.78104	1.0
249.14966	100.0
250.15271	7.2
263.16626	1.8
291.16034	5.0
321.17081	1.1
392.28458	0.8
411.20313	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12366	0.9
59.01384	100.0
61.98833	3.2
64.17931	0.9
70.26479	1.9
71.01377	5.8
72.99326	1.3
73.02937	0.9
85.02966	1.9
89.02453	8.8
101.02434	2.8
113.02483	2.9
117.08173	0.9
119.03529	3.6
125.02472	1.0
143.03490	0.9
163.07565	1.1
168.95387	0.8
179.05614	2.3
191.05664	2.4
213.09009	1.0
231.13950	4.8
249.14937	14.9
291.16129	1.6
436.89545	0.9
451.33630	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28807	1.1
66.57892	1.0
97.06580	3.0
98.22491	3.7
98.90461	1.2
99.04546	2.1
109.02950	1.2
124.01677	7.9
125.02471	6.2
135.04576	1.5
137.02440	9.0
138.03246	6.0
139.04030	24.4
151.04092	1.4
152.04793	4.5
155.99677	1.3
159.04526	1.0
161.02428	2.1
162.03244	2.6
162.83948	1.1
163.04097	1.2
164.04779	5.0
165.05597	4.3
169.07097	1.1
170.02216	1.4
173.06187	1.6
174.03238	1.0
174.72292	1.1
175.04044	3.7
175.07616	1.2
176.04837	2.7
177.05588	3.7
179.07111	2.3
184.03761	1.8
187.07593	2.4
188.04802	3.2
189.05615	6.5
190.02719	4.1
190.06369	2.7
191.07185	7.1
192.07867	2.9
196.28238	1.0
201.05548	2.0
202.06372	1.8
203.03467	3.6
203.07234	2.7
204.04265	3.0
205.04961	1.4
205.08699	5.8
215.07118	5.0
216.07907	2.0
217.08754	9.3
218.05698	1.6
219.06644	9.8
219.10330	1.5
220.07289	1.2
231.10297	1.7
232.07352	3.6
233.08107	3.2
233.11798	7.5
243.10231	1.3
261.11319	7.4
261.14816	3.3
271.13400	1.2
289.14502	3.6
334.22766	1.1
344.57843	1.3
359.15173	2.7
373.16605	5.4
374.17398	6.7
384.16034	1.5
398.17371	5.6
399.17834	1.7
413.20029	10.6
414.20282	1.8
427.17453	2.6
428.21756	2.3
439.21576	2.6
442.20068	3.9
456.21591	9.0
457.21774	1.3
471.23898	100.0
472.24377	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2389
Annotation	Lucidenic acid K
Peak:m/z	Relative Intensity
53.17076	1.2
65.19012	1.2
69.58942	5.2
97.06598	4.6
102.25001	1.3
116.13694	1.2
124.01663	14.3
125.02497	7.1
137.02472	12.4
138.03261	7.5
139.04021	34.0
151.03999	2.5
152.04778	5.5
159.04559	2.0
159.78751	1.3
161.02478	1.9
162.03244	4.3
163.04036	2.4
164.04807	8.9
165.05528	5.7
166.65285	1.2
170.02231	3.5
175.03993	4.4
176.04784	3.6
177.05583	4.6
179.07153	2.9
184.03745	3.7
187.07642	4.4
188.04805	5.4
189.05576	8.4
190.02699	6.9
190.06335	4.9
191.07129	9.6
192.07883	4.4
193.08731	1.8
201.05542	2.6
202.06393	1.5
203.03526	6.2
203.07155	5.1
204.04253	4.7
205.08723	5.8
210.05420	1.5
215.07147	5.3
217.08638	13.1
218.05835	2.4
219.06638	18.7
219.10112	1.6
220.07031	1.8
226.14870	1.5
231.06699	1.8
232.07465	3.4
233.08163	3.9
233.11894	6.6
234.11974	1.4
243.10245	2.9
245.11748	1.5
247.09842	2.2
261.11325	11.9
261.13834	1.5
261.15094	2.1
262.11935	1.5
275.12985	1.9
289.14514	3.0
345.59216	1.7
359.15219	3.3
373.16513	8.0
374.17313	9.1
384.15814	4.1
398.17368	10.8
399.17828	2.9
400.18759	1.6
413.19711	15.7
427.17404	1.9
439.15613	1.6
439.21390	4.7
442.20285	3.5
456.21591	10.5
471.23886	100.0
472.24185	15.2
477.78479	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69814	1.5
55.66687	1.4
56.91204	2.0
69.09499	14.3
69.09909	2.9
97.06612	2.9
124.01711	11.6
125.02458	10.5
137.02438	9.9
138.03230	6.7
139.04033	35.3
142.10085	1.9
151.03992	3.4
152.04816	2.1
155.90228	1.7
161.02429	2.6
161.06017	2.0
161.61861	1.6
162.03250	9.9
164.04782	5.1
165.05542	5.8
167.22391	1.7
170.02177	2.3
175.03990	7.9
176.04781	2.0
177.05551	3.4
177.09274	2.2
178.02655	1.9
179.07169	2.4
187.03995	4.0
187.07678	2.6
189.05597	6.8
190.02731	3.5
190.06429	2.2
191.03514	2.1
191.07146	5.8
192.07957	3.7
203.03577	2.0
203.07118	2.6
204.04257	3.9
204.07954	2.5
205.08725	14.1
206.09341	3.3
215.07124	2.6
216.08163	1.6
217.05026	2.3
217.08650	1.9
232.07338	5.7
233.08195	6.7
233.11839	18.8
243.10281	2.7
245.08286	2.1
261.11725	3.4
261.14996	18.5
359.14987	4.2
370.14847	2.2
373.16699	7.3
374.17276	8.2
385.16513	3.7
413.15735	4.4
413.20377	3.2
428.22070	11.1
438.20514	5.0
456.21515	7.3
471.23938	100.0
471.30960	7.8
472.24408	13.0
482.84607	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.7
58.00579	3.0
59.01382	100.0
69.03439	1.5
69.09347	8.1
71.01387	36.9
71.05020	2.3
72.99295	3.7
73.02934	2.8
80.19954	1.3
81.03493	1.4
81.26789	1.6
83.01424	2.1
85.02943	7.4
87.00877	2.4
89.02447	40.9
93.07982	1.1
95.01392	2.6
95.09090	1.1
98.22168	6.1
101.02443	23.9
113.02454	14.5
115.03206	2.1
115.04020	42.7
115.77277	1.2
115.92055	1.8
119.03520	18.5
121.10263	1.4
131.03490	2.0
143.03477	2.7
161.04541	2.1
175.14937	5.6
179.05623	3.6
181.48221	1.3
182.75331	1.1
191.05687	1.5
205.16074	1.2
226.03882	1.1
229.19679	4.2
249.14981	20.0
273.18610	6.8
291.19662	74.0
292.20004	3.6
327.08609	1.6
374.06287	2.1
414.79492	1.2
471.26041	63.4
472.26291	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.311
Annotation	Kuguacin Q
Peak:m/z	Relative Intensity
53.99422	0.3
57.03452	3.0
59.01358	1.0
59.98512	1.4
61.98804	0.4
62.31552	0.3
69.20882	2.1
69.21282	0.6
71.05016	0.5
73.02942	0.3
75.96806	0.3
81.03442	0.4
83.05031	1.1
84.55527	0.3
87.00868	0.5
93.55066	0.3
95.05006	0.9
95.93469	0.3
97.02958	0.7
97.06586	0.8
98.03734	0.9
99.04525	4.5
107.05090	0.4
109.06608	0.5
109.10263	0.7
111.04507	0.7
111.08186	0.6
123.04478	0.4
125.06078	0.6
127.03954	0.4
138.06888	4.3
139.07704	0.9
151.11267	0.9
153.05602	0.5
155.85858	0.3
160.84230	0.3
171.11717	0.3
173.83272	0.3
189.12869	0.8
257.19220	0.7
271.20609	0.5
293.89374	0.3
299.20154	4.3
300.20572	0.4
333.25885	0.8
351.20016	0.5
351.26959	6.0
352.27188	0.6
369.28049	1.1
377.25146	0.5
391.30038	1.8
395.25842	3.4
396.26328	0.4
409.23795	0.4
413.26962	2.6
427.25333	0.5
440.21616	0.4
453.30310	0.5
471.31152	100.0
472.24933	0.5
472.31476	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3117
Annotation	Comnostin D
Peak:m/z	Relative Intensity
50.96148	1.5
52.55695	1.4
57.03452	2.2
61.96301	1.8
70.55083	3.9
71.01377	12.9
71.05028	2.3
73.02965	1.7
73.56850	1.6
78.95894	3.7
82.99692	1.6
100.07727	1.7
195.63554	1.6
196.19937	1.6
224.67297	1.7
339.26974	2.0
351.26886	4.2
355.30133	4.6
367.30191	5.0
381.28244	2.0
395.71008	1.6
399.29160	3.3
407.33582	1.8
411.29147	3.6
427.32144	41.7
428.32275	5.1
453.29285	10.2
471.31012	100.0
471.35349	64.7
472.31223	13.6
472.35538	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	3.2
59.01381	8.9
69.03464	5.8
69.56300	11.1
85.02962	39.9
101.80149	2.6
221.83197	2.7
239.25679	2.9
265.27502	3.0
365.28668	9.0
367.30191	7.2
383.33304	6.2
385.30927	5.2
427.31818	26.3
428.32666	3.6
453.29514	7.9
471.30807	100.0
471.35187	98.7
472.31219	15.0
472.35776	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3484
Annotation	Odoratone
Peak:m/z	Relative Intensity
69.19261	0.4
69.55816	0.8
69.56229	1.7
96.47894	0.4
98.21825	0.5
111.01633	0.4
111.17567	0.4
139.04008	0.4
142.03568	0.4
253.64267	0.4
393.31705	0.5
399.29504	0.5
423.33032	1.1
427.32233	1.6
453.33176	0.6
471.34863	100.0
472.35269	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3485
Annotation	Odoratone
Peak:m/z	Relative Intensity
52.73716	0.4
56.86031	0.4
57.03447	1.9
69.11773	3.0
69.12186	0.7
75.56181	0.4
83.05028	0.6
99.04565	0.7
137.09712	0.9
140.47176	0.4
251.12833	0.4
310.19696	0.5
329.90640	0.4
363.26840	0.5
377.28262	0.6
379.30115	1.5
471.34833	100.0
472.35159	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82028	0.9
60.58368	0.9
61.71111	0.9
65.61580	0.9
67.84492	0.8
69.03452	2.5
70.58949	1.7
70.59283	1.5
72.02434	0.9
75.70455	0.9
85.02484	1.7
85.02957	24.2
85.06590	1.4
102.48498	0.9
111.08119	1.1
112.53676	0.9
113.02419	0.9
116.92850	0.9
140.11716	0.9
200.69931	1.0
207.93120	0.9
281.87216	1.0
292.66330	0.9
293.61142	1.0
365.82147	1.0
385.31241	2.9
427.31900	3.1
427.36423	2.9
453.33817	1.3
471.35205	100.0
472.35736	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.0
61.77048	0.4
74.96362	0.4
83.05045	0.5
88.11990	0.5
88.51669	0.4
88.61928	0.5
103.54665	0.4
137.09746	1.0
159.72653	0.4
216.26358	0.5
363.27026	1.2
377.28543	0.8
379.30157	1.9
382.76993	0.5
471.34848	100.0
472.35178	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3481
Annotation	3alpha-Hydroxy-2-oxofriedelane-20alpha-carboxylic acid
Peak:m/z	Relative Intensity
65.14752	2.2
69.47575	2.1
71.14053	4.5
85.81450	1.9
97.78759	2.1
168.59792	2.1
200.65169	2.4
206.64178	2.5
220.11746	2.6
427.35764	36.3
428.36136	4.9
448.39377	2.3
453.33740	3.1
471.34781	100.0
472.35056	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3482
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
50.44621	2.7
70.05566	7.7
70.05939	6.0
71.57523	3.4
75.18603	3.4
98.21804	3.3
103.31830	2.7
169.35388	3.5
170.73349	3.2
180.93233	3.1
189.04208	2.7
215.77924	3.3
244.21056	2.9
418.69327	3.0
471.34793	100.0
472.35089	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3845
Annotation	20beta,28-Epoxytaraxaster-21-en-3beta-ol
Peak:m/z	Relative Intensity
55.00640	0.7
63.36358	0.7
67.43681	0.8
69.13525	7.5
85.75345	0.7
118.30000	0.7
237.99756	0.8
290.72736	0.8
397.34952	1.1
399.22498	0.9
425.37698	1.5
427.35663	4.3
471.38568	100.0
472.38788	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34658	1.5
66.10722	2.0
71.30519	1.9
83.54310	1.7
108.86789	1.6
145.14629	1.5
178.16916	1.9
348.39096	1.8
385.46826	2.2
471.38492	100.0
472.38971	15.6
485.98511	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98826	4.2
67.50961	2.4
69.21979	19.1
71.01030	3.2
71.01390	32.0
72.68195	2.2
72.99297	3.2
73.02948	21.5
83.01424	2.7
85.02973	8.9
87.00896	7.5
87.30286	2.6
88.95417	2.3
89.02452	34.6
98.22582	5.5
101.02454	50.2
103.04018	17.2
107.48127	2.5
113.02419	4.9
114.67104	2.4
115.04041	6.3
115.75023	2.4
119.03524	14.2
120.03898	3.4
125.02489	2.9
131.03505	5.2
143.03519	9.9
145.05090	6.1
161.04616	6.1
163.06146	77.9
164.06541	3.4
197.44398	2.6
205.07220	18.0
232.65932	2.8
235.08252	2.7
250.04832	2.7
265.09360	10.9
268.26224	2.4
413.22458	3.7
429.17572	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.4
59.09991	0.2
61.98837	100.0
69.34057	1.8
71.86901	0.3
78.38605	0.2
80.37122	0.3
98.21768	0.4
101.37707	0.2
115.32789	0.2
151.11670	0.2
270.26410	0.2
337.12164	0.2
451.47040	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57385	0.2
56.50049	0.2
59.01383	1.1
61.98834	100.0
69.00484	0.5
69.00898	2.3
71.01384	0.3
101.02441	0.3
118.89151	0.3
159.83276	0.3
161.22601	0.2
184.57936	0.3
271.56183	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10731	0.8
51.48357	0.9
54.51751	0.8
57.03447	2.2
59.01379	11.2
61.98836	100.0
63.63099	1.0
71.01385	3.7
73.02957	1.8
85.02965	1.3
89.02465	2.6
90.59393	0.9
99.04510	1.1
101.02432	1.8
133.02988	1.2
135.99391	0.9
137.02460	1.3
164.04839	1.6
179.07182	1.7
267.16016	2.0
354.06900	1.1
473.31464	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10731	0.8
51.48357	0.9
54.51751	0.8
57.03447	2.2
59.01379	11.2
61.98836	100.0
63.63099	1.0
71.01385	3.7
73.02957	1.8
85.02965	1.3
89.02465	2.6
90.59393	0.9
99.04510	1.1
101.02432	1.8
133.02988	1.2
135.99391	0.9
137.02460	1.3
164.04839	1.6
179.07182	1.7
267.16016	2.0
354.06900	1.1
473.31464	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.7
59.01388	100.0
60.01712	5.2
69.58042	15.8
71.01387	24.3
73.02948	4.8
74.02482	5.2
75.56876	3.1
79.95750	10.8
84.00916	4.6
85.02966	8.6
87.04499	3.3
88.13667	3.1
89.02465	18.9
90.74699	2.6
95.95238	6.8
96.96021	19.9
98.22592	4.3
101.02425	14.2
102.19308	2.7
103.21854	2.9
104.03543	5.2
113.02480	10.8
119.03500	6.0
125.89967	2.8
156.17198	2.9
159.02983	3.0
161.04546	12.6
167.00223	8.3
177.19904	2.8
179.05588	3.7
191.05626	6.4
251.16635	3.1
262.63849	3.1
267.16055	28.6
304.72159	3.4
310.12985	8.4
318.04306	3.4
372.84100	3.1
413.21866	17.5
472.13541	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23293	5.7
55.91983	6.1
57.53464	6.1
58.85420	5.6
59.01381	100.0
60.01753	6.7
60.63818	5.9
61.98835	15.9
64.64654	5.8
70.84008	10.7
71.01385	33.0
73.02955	14.5
81.84213	5.9
83.01399	6.5
84.00924	11.5
85.02964	9.9
88.90827	6.0
89.02446	40.7
97.08193	5.6
99.00893	7.3
101.02464	32.9
113.02451	22.3
119.03429	12.3
159.21028	6.2
161.04567	21.7
176.22588	6.6
179.05505	7.4
237.96994	6.1
244.30023	6.4
251.16435	7.7
267.15994	69.6
268.16379	8.6
271.06137	7.9
272.06528	21.1
272.93076	6.6
294.85553	5.9
309.17175	7.7
413.21912	29.3
414.11740	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	5.9
59.01383	100.0
61.98832	17.8
70.77005	6.1
70.77325	4.3
71.01391	33.6
72.99338	4.4
73.02952	22.7
75.78653	3.6
83.01353	3.7
84.00919	15.8
85.02962	15.0
89.02457	21.1
90.24105	3.6
97.02884	3.5
99.00931	5.9
101.02450	33.1
113.02447	19.1
119.03523	13.6
119.51657	3.9
121.01773	3.2
134.98825	3.9
143.03497	3.9
150.59328	3.6
161.04561	20.5
179.05649	6.5
196.66867	4.0
204.05190	4.7
207.13991	9.5
223.17084	17.1
249.15277	4.1
257.51956	3.9
267.16037	95.6
268.16345	4.7
309.17084	12.0
385.22394	13.3
413.21744	7.9
429.21393	13.4
472.22202	12.7
473.18365	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	5.2
62.47795	4.0
72.71667	3.9
85.02980	5.8
87.00824	4.6
132.19962	3.8
140.46979	3.6
146.02246	3.7
277.21780	7.9
280.44577	6.3
280.67239	4.2
349.67953	4.6
428.32385	9.1
429.29926	26.3
472.35492	100.0
473.32590	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77942	16.5
71.31040	32.2
115.54714	15.4
115.55507	17.3
245.21158	19.7
310.14993	18.6
331.43579	18.0
472.34360	100.0
473.34805	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88487	10.1
69.14137	100.0
80.30063	10.0
95.05510	10.3
117.97637	12.3
242.20004	9.4
306.46472	10.3
353.97888	10.5
442.53442	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57061	0.6
71.01376	1.0
71.39548	0.8
78.95910	57.8
80.89813	0.6
86.67636	0.5
96.96062	11.1
96.96967	100.0
97.78355	0.6
135.04477	0.7
137.02423	1.3
149.02509	3.0
150.03238	6.1
155.03552	0.7
164.04813	1.7
165.05577	13.6
172.30550	0.6
173.04509	0.6
191.05605	2.1
195.06671	3.7
246.65645	0.8
259.01422	1.9
311.05563	0.7
327.10825	2.4
365.06744	0.7
375.06824	0.7
425.07642	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28176	1.1
55.01864	1.4
57.03434	2.0
58.00598	4.6
59.01380	100.0
60.01724	1.3
63.89920	1.2
69.03452	2.8
69.36604	8.8
71.01388	36.4
72.99303	5.8
73.02949	46.4
74.03320	1.2
77.42542	1.1
83.01437	1.6
85.02948	17.8
86.00098	3.0
87.00874	19.4
87.04507	7.7
89.02453	31.2
89.02970	2.4
97.02946	1.6
99.04534	2.1
101.02451	61.0
102.02822	1.8
103.04020	29.9
113.02464	2.0
115.04012	12.6
119.03500	13.3
125.02454	3.7
127.04015	3.0
131.03508	15.4
143.03511	20.6
145.05066	7.9
147.04529	68.2
148.04895	2.5
163.06140	73.4
164.06497	2.4
205.07175	43.5
206.07651	1.5
265.09262	4.5
307.14847	1.3
386.32593	1.4
459.25989	1.5
473.16684	21.8
474.17123	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93291	0.3
57.03452	0.4
59.01381	13.3
61.98834	1.8
66.57375	0.2
69.03477	0.3
69.17171	1.1
69.17576	0.8
71.01388	7.2
73.02948	0.8
81.03462	0.4
83.01395	0.6
85.02975	0.9
89.02452	11.3
95.01408	0.4
97.02966	0.9
98.21821	0.6
99.00890	2.3
99.04545	0.4
101.02452	3.2
113.02455	2.0
115.04026	0.6
119.03520	1.0
125.02453	4.6
131.03525	1.5
135.04509	0.4
137.02448	1.3
143.03485	0.6
149.04558	1.8
161.04599	1.1
163.04065	2.2
164.04810	100.0
165.05130	3.5
173.04565	0.3
179.07155	72.3
180.07483	3.3
191.05646	1.3
233.06683	5.1
234.07007	0.5
265.14465	0.5
268.07031	0.3
293.08823	4.8
294.09445	0.3
323.57913	0.3
408.54846	0.3
413.21823	2.1
473.16824	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65142	4.2
52.55544	5.1
57.03447	6.1
58.94732	4.1
59.01099	5.7
59.01381	100.0
61.98843	24.1
69.05099	3.8
69.07446	16.6
69.07861	14.7
71.01382	44.5
73.02953	14.1
81.41657	4.9
85.02951	11.9
89.02445	89.7
95.01391	7.5
99.00890	29.1
101.02464	28.9
108.02177	6.1
113.02442	20.5
119.03551	5.0
125.02471	15.2
131.03490	10.8
137.02457	6.7
143.03484	7.9
143.10785	54.4
145.02878	4.9
149.04561	77.6
161.04527	13.8
164.37321	4.4
185.11769	8.2
191.05658	10.9
198.58769	4.3
215.12854	7.0
219.32176	4.4
227.13037	7.4
233.06703	25.6
251.16478	5.9
271.64529	4.8
272.38477	4.1
293.08820	66.6
297.05954	5.5
311.09866	6.4
329.06381	43.9
346.35120	4.8
413.21835	8.5
473.17780	26.9
473.23941	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65142	4.2
52.55544	5.1
57.03447	6.1
58.94732	4.1
59.01099	5.7
59.01381	100.0
61.98843	24.1
69.05099	3.8
69.07446	16.6
69.07861	14.7
71.01382	44.5
73.02953	14.1
81.41657	4.9
85.02951	11.9
89.02445	89.7
95.01391	7.5
99.00890	29.1
101.02464	28.9
108.02177	6.1
113.02442	20.5
119.03551	5.0
125.02471	15.2
131.03490	10.8
137.02457	6.7
143.03484	7.9
143.10785	54.4
145.02878	4.9
149.04561	77.6
161.04527	13.8
164.37321	4.4
185.11769	8.2
191.05658	10.9
198.58769	4.3
215.12854	7.0
219.32176	4.4
227.13037	7.4
233.06703	25.6
251.16478	5.9
271.64529	4.8
272.38477	4.1
293.08820	66.6
297.05954	5.5
311.09866	6.4
329.06381	43.9
346.35120	4.8
413.21835	8.5
473.17780	26.9
473.23941	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	100.0
58.00595	2.9
58.03770	1.2
59.01387	55.4
60.88245	1.0
61.98837	9.1
71.01385	20.0
71.30998	2.3
73.02943	3.7
81.03459	3.5
83.01411	3.6
85.02972	3.7
89.02463	18.2
97.02969	3.9
97.06570	1.3
99.00903	4.8
99.04530	59.3
101.02455	27.3
103.04028	3.4
109.06619	2.6
113.02473	3.6
113.06112	2.3
115.03992	1.6
119.03555	2.4
125.02464	19.4
131.03506	1.7
137.06084	1.5
139.07693	2.9
143.03566	1.8
149.04536	2.8
161.04575	3.0
164.08449	12.1
168.00711	1.9
169.01425	1.4
169.08742	5.5
185.11798	2.3
191.05684	2.1
208.49997	1.1
209.08618	1.5
227.12918	23.1
233.06596	6.3
251.16560	3.0
293.08847	4.4
313.05786	4.3
329.16095	50.4
330.16422	4.6
330.20157	1.5
409.07907	1.2
411.20554	2.0
413.22089	5.7
473.07193	2.0
473.20193	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2163
Annotation	Terretonin D
Peak:m/z	Relative Intensity
51.37551	6.2
55.23424	6.5
59.01384	100.0
60.25093	6.4
61.98817	7.8
62.07505	7.2
69.25842	48.7
70.81697	7.7
71.01379	35.5
73.02949	12.8
74.83378	6.3
85.02955	13.7
89.02462	16.3
89.12497	7.3
98.21791	15.2
101.02448	25.6
113.02460	8.6
131.26535	7.7
161.04518	7.9
165.09241	32.6
169.72546	7.0
177.05316	7.5
251.16515	19.8
253.71199	7.9
366.35345	8.5
413.22086	20.5
452.69980	7.2
473.21844	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	9.2
61.98820	8.2
69.00510	100.0
85.98586	8.2
97.02942	10.6
99.04553	14.3
109.03007	16.7
121.02948	14.2
123.00909	8.7
123.04529	10.2
125.02527	11.0
137.02469	14.8
139.00266	9.3
139.07660	16.5
149.06075	11.8
152.01216	9.7
153.01917	20.5
161.02487	29.8
162.03203	35.5
174.03238	13.0
175.00444	11.9
175.03992	13.1
176.01112	17.3
177.01973	43.5
177.05598	10.8
180.00685	10.6
180.04181	7.9
188.04727	8.5
189.01945	31.8
189.05574	24.5
190.02789	54.0
191.03551	39.5
192.00731	11.1
201.05484	9.1
202.06358	10.4
203.03523	12.8
203.07037	10.4
204.04282	20.9
205.05064	35.2
206.05891	10.9
217.04951	15.3
219.06503	22.5
229.05038	11.7
231.06610	11.1
233.04578	22.1
245.08223	10.6
247.06113	15.4
251.05429	9.2
266.07941	13.9
327.12030	10.0
337.25375	10.0
345.20779	17.5
359.15079	20.7
360.15805	13.6
368.12503	10.3
369.13522	25.8
382.14066	16.4
383.15063	56.1
384.15674	13.3
397.16501	12.3
397.27521	18.7
413.19730	14.6
415.28488	18.9
440.17935	18.9
441.18579	12.0
455.20853	30.5
473.21173	19.5
473.32584	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94318	1.4
55.01880	1.3
57.03437	3.0
59.01383	100.0
60.01697	1.5
61.98843	10.4
68.98264	14.6
71.01386	28.0
72.99325	1.8
73.02941	3.8
83.01368	1.6
85.02950	6.0
87.00854	2.3
87.01327	1.7
89.02454	27.5
95.01353	2.0
101.02464	15.5
113.02468	10.5
119.03513	15.9
125.02453	2.4
131.03548	2.3
137.02448	1.7
143.03418	3.1
161.04602	7.1
163.00333	3.4
179.05618	7.3
189.01926	11.2
191.03456	1.6
191.05612	2.0
217.01303	2.8
239.03600	1.7
265.14426	4.4
268.16272	1.7
279.02689	6.7
311.05408	1.6
321.03888	19.8
322.04062	2.3
339.04849	2.9
363.04840	12.9
395.20865	4.5
413.21924	9.5
473.08746	7.9
473.18274	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.5
59.01384	100.0
60.01714	1.2
61.98836	9.4
62.71938	0.8
67.85757	0.8
70.32296	3.2
71.01391	20.2
72.99301	1.3
73.02937	3.1
76.59042	0.7
77.44737	0.7
81.39249	0.7
83.01399	2.3
85.02962	5.7
85.26080	0.7
87.00890	1.6
89.01960	1.4
89.02457	17.7
95.01379	1.4
97.02906	0.8
99.04520	1.0
101.02452	12.1
108.53187	0.8
109.02962	6.7
112.81815	0.8
113.02442	7.3
114.05626	0.9
119.03494	6.4
125.02423	2.1
135.00887	2.4
137.02496	0.9
143.03503	1.6
150.03189	0.9
151.03964	1.0
153.01962	14.7
158.45625	0.9
159.02963	2.3
161.04567	11.4
163.03885	0.8
164.04855	2.1
167.75851	0.8
177.01909	1.3
177.12897	1.0
179.05560	3.9
179.07135	2.1
187.03975	1.0
189.01929	8.5
190.02617	1.7
191.03558	1.5
217.01442	3.1
219.02950	1.8
239.03438	1.1
249.42178	0.9
251.16603	2.9
265.14453	2.2
269.08295	1.0
279.02774	4.3
297.06192	3.5
315.07239	2.6
316.02063	0.8
321.03796	4.1
363.04828	8.7
395.20810	1.7
413.21872	9.4
473.08350	3.5
473.18530	1.1
473.31174	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
58.00616	0.8
59.01383	100.0
60.01722	1.3
61.98848	3.3
64.62382	0.7
69.00573	7.3
69.64025	0.6
71.01393	3.9
72.99311	1.0
73.02949	5.8
75.00889	1.3
75.45520	0.7
82.05929	0.6
83.05047	0.7
85.02982	2.8
89.02455	2.9
93.84940	0.6
97.02967	1.1
98.21788	1.0
98.22473	2.3
101.02446	3.7
113.02430	3.7
119.03539	1.9
121.06590	0.9
133.06670	0.7
144.04137	0.7
155.87529	0.7
161.04648	2.3
165.09242	3.4
173.04520	0.7
179.10828	2.5
189.09193	0.8
205.16136	1.1
207.17558	0.8
222.26987	1.0
241.41460	0.8
249.15131	0.8
251.16537	82.8
252.16855	5.8
265.18344	1.4
293.17770	1.3
371.15125	1.3
399.14600	1.5
400.05121	0.7
413.21774	3.4
444.63293	0.7
473.18250	8.1
473.23853	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
58.00592	0.5
59.01382	100.0
60.01722	1.1
61.98833	2.2
65.69645	0.5
67.41090	0.5
71.01390	5.7
71.31722	0.9
73.02953	1.6
85.02969	1.3
87.00907	1.0
89.02448	4.6
96.09511	0.5
98.21883	0.6
101.02451	4.2
112.63227	0.6
113.02466	4.6
114.73426	0.6
119.03499	2.4
119.05027	1.0
143.03497	0.7
145.02948	1.1
147.73010	0.6
159.32729	0.6
161.04604	2.6
170.88187	0.6
179.05614	1.3
179.10777	0.8
205.16032	1.2
207.17543	1.4
208.95197	0.5
221.06650	0.6
221.15471	0.7
231.06764	0.5
233.15437	0.9
251.16527	83.5
252.16888	5.6
265.07281	1.0
265.18005	1.0
268.68671	0.6
269.08185	1.3
293.17618	1.9
388.14038	0.5
411.18472	0.6
413.21857	4.1
473.17978	2.3
473.27707	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91218	2.4
54.66605	2.0
58.00610	2.5
59.01383	100.0
61.98825	3.9
62.17280	2.1
70.75583	3.1
70.75923	2.8
71.01390	48.0
73.02958	9.1
75.31800	2.3
81.40575	2.0
83.01407	6.6
85.02952	12.8
87.00897	3.6
89.02445	31.9
96.07258	2.1
96.14521	2.2
99.00891	4.0
100.14704	2.4
101.02440	33.4
113.02453	20.1
119.03506	13.2
143.03531	3.8
148.91023	4.8
159.02998	4.4
161.04570	39.3
164.04709	2.9
179.05661	5.1
179.07143	3.9
233.15527	6.4
251.16475	23.4
413.16800	3.9
413.21860	53.6
414.22217	5.8
437.06851	2.5
473.17892	6.8
490.50864	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	76.3
61.98829	31.9
71.01418	7.1
71.05022	8.0
71.29433	5.5
82.48415	4.6
89.02418	8.4
101.02554	5.2
110.21282	4.5
113.02487	5.9
138.58125	5.5
142.23772	4.8
187.13075	5.2
233.31494	5.3
251.16551	100.0
251.92079	5.9
398.05557	5.1
473.26779	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.7
57.03450	2.4
58.00598	4.5
59.01383	100.0
71.01385	48.5
71.31843	1.0
72.99310	4.7
73.02092	0.6
73.02962	1.1
75.00869	1.0
83.01402	2.8
85.02959	10.7
85.51672	0.8
87.00900	2.0
89.02452	52.3
90.02792	0.9
95.01399	3.6
99.00900	0.7
101.02448	29.0
113.02459	16.3
115.04025	61.0
116.04340	1.5
119.03513	24.6
125.02508	0.8
131.03491	1.8
143.03535	2.5
146.88936	0.7
149.04570	2.0
157.36525	0.7
161.04578	2.1
177.16507	7.4
179.05644	4.0
179.06976	0.7
231.21178	4.1
237.33218	0.7
237.98579	0.8
275.20184	8.8
276.20520	0.8
293.21243	93.2
294.21530	7.5
300.82483	0.9
311.22348	1.7
461.98984	0.8
473.27567	85.1
474.27902	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.291
Annotation	Methyl lucidenate Q
Peak:m/z	Relative Intensity
52.75541	1.1
59.57156	1.0
59.68143	1.0
62.26709	1.1
71.07876	1.9
78.95913	2.7
95.05032	1.0
98.22152	1.2
105.03430	3.7
121.02956	1.4
132.02182	9.7
133.02969	18.9
134.03778	13.6
135.04529	5.4
137.02409	3.2
139.03955	1.6
141.09113	1.1
148.05353	5.5
152.99542	3.8
160.01666	54.6
161.02464	9.9
161.06058	4.5
162.03094	1.1
175.04012	100.0
176.04266	2.2
178.02721	1.4
179.03468	2.6
193.05092	5.4
233.08063	1.5
236.76791	1.1
248.98851	1.2
275.12857	1.3
297.24387	9.9
329.17715	1.3
343.18997	2.5
380.90274	1.2
414.59775	1.2
441.26556	5.2
448.79492	1.2
462.51071	1.2
473.28934	51.3
474.29269	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3274
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
52.89229	1.4
52.93906	1.4
69.03469	8.6
69.03780	1.5
69.48795	5.0
71.01385	3.3
73.07005	1.4
76.40656	1.3
83.05030	100.0
84.05379	2.6
97.02955	4.4
123.04513	1.8
125.05155	2.5
125.06088	50.2
126.06451	1.9
132.16939	1.5
153.16284	1.5
173.28299	1.7
205.15945	13.3
251.41153	1.5
303.26901	1.8
310.82141	1.4
337.43939	1.5
355.30020	3.3
357.31656	13.7
367.60312	1.7
379.05966	1.6
427.32315	1.8
429.33755	80.6
430.33972	10.8
457.25101	4.3
473.27969	36.8
473.32889	65.1
474.28088	5.2
474.33176	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3276
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
54.08900	1.0
59.01337	1.0
69.03459	7.1
70.64613	2.0
70.64967	1.3
75.36814	1.0
80.02634	1.2
85.02930	1.2
85.07993	1.0
105.39243	0.9
107.05061	6.4
109.06603	86.4
110.06902	1.9
175.03999	1.8
281.28049	0.9
282.59131	1.0
293.37222	0.9
317.28555	4.5
341.28479	1.2
355.29877	3.0
357.31641	40.2
358.31961	4.4
359.29486	1.2
385.30649	1.2
385.34790	15.0
386.35184	2.1
387.28528	1.4
411.32800	13.6
429.33746	66.6
430.34216	8.4
455.31836	1.9
473.32526	100.0
474.32974	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3276
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
57.98705	1.0
68.99809	1.8
69.11275	6.0
69.11686	3.1
83.05000	2.5
95.44611	1.0
98.22557	2.2
109.02972	4.3
111.04376	1.2
122.03733	2.5
197.88853	1.1
229.12328	4.0
255.13858	5.6
297.18582	1.4
324.78107	1.3
369.31491	4.4
409.30969	1.3
411.32693	54.0
412.32904	6.2
429.33749	100.0
430.34128	10.0
473.32681	70.5
474.33105	8.5
475.22821	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
69.24989	4.7
111.45177	0.8
150.14017	0.7
150.59680	0.8
179.49068	0.8
239.56250	0.7
361.47061	0.9
431.31592	5.4
473.36404	25.4
474.36853	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3638
Annotation	Sipholenone E
Peak:m/z	Relative Intensity
57.03445	2.9
59.01378	1.1
83.39008	0.9
128.41670	0.9
176.97131	0.9
261.91061	1.0
397.31351	2.6
473.36456	100.0
474.36926	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3638
Annotation	Sipholenone E
Peak:m/z	Relative Intensity
53.29084	0.9
53.81372	0.8
57.03434	2.7
71.29953	1.2
78.51687	0.9
83.69658	0.9
170.72375	0.9
201.57475	0.9
291.14551	0.9
329.28387	1.7
350.88553	1.1
473.36383	100.0
474.36740	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3639
Annotation	Sipholenone E
Peak:m/z	Relative Intensity
57.03451	6.9
59.12697	0.9
69.36645	5.4
98.22447	1.0
126.44009	0.8
409.06042	1.0
415.31860	1.9
455.35037	1.7
473.36398	100.0
474.36725	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3641
Annotation	Sipholenone E
Peak:m/z	Relative Intensity
64.16651	0.9
69.21167	3.8
69.21591	4.3
86.33549	0.9
98.21790	2.2
107.86111	1.0
118.71309	0.9
216.80292	1.0
325.71432	1.1
415.32251	1.5
455.35312	1.6
473.36398	100.0
474.36642	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72463	2.8
71.31356	4.2
71.31759	4.6
90.72739	3.0
102.26597	3.5
124.44934	3.2
126.91473	2.7
152.99522	3.3
329.72568	2.9
391.68564	3.2
473.36337	100.0
474.10925	3.2
474.36627	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24102	0.4
54.42376	0.4
67.13625	0.3
70.63904	0.9
73.02960	1.5
91.09956	0.4
98.09630	0.3
102.05824	0.4
143.59703	0.4
151.39738	0.4
189.76787	0.4
189.84537	0.3
211.67001	0.4
227.22978	0.4
247.09964	0.4
371.27124	0.6
399.32278	0.6
399.36960	0.5
429.27814	0.4
443.35266	2.2
455.35672	2.6
457.33139	0.6
473.36377	100.0
474.36740	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3641
Annotation	Sipholenone E
Peak:m/z	Relative Intensity
71.33313	2.1
73.02952	52.9
75.72062	2.7
87.83495	2.4
96.08003	2.2
110.18147	2.5
141.15561	2.4
162.59204	2.2
213.07913	2.5
215.18053	2.0
421.24655	2.1
446.84933	2.6
473.36514	100.0
474.36728	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	23.7
61.98836	100.0
64.75379	3.4
71.01379	13.6
71.29552	4.0
71.29947	4.1
85.02939	6.4
87.00871	4.1
89.02414	6.2
93.63000	3.3
99.70345	3.2
100.91029	3.0
104.04617	3.1
161.02408	5.1
161.04587	4.1
191.05582	6.6
226.87233	3.5
475.14426	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03273	0.3
59.01377	1.5
61.98818	0.4
69.08471	2.7
78.95905	10.2
83.05009	0.4
96.96938	0.4
113.63625	0.3
115.86615	0.3
127.07705	0.3
132.44235	0.3
140.01202	2.8
152.99588	1.3
162.83908	1.6
171.00586	0.4
196.03827	1.3
214.04855	3.3
233.22752	0.4
259.20609	0.6
275.20251	0.4
277.21722	100.0
278.22079	8.1
292.25745	0.3
474.26215	7.6
475.26688	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79313	0.5
58.22382	0.5
59.01374	1.2
59.19907	0.5
69.71861	3.0
73.26157	0.6
78.95908	39.8
79.11151	0.5
79.60619	0.5
96.96954	1.5
97.74550	0.5
106.56362	0.5
116.10158	0.5
122.00148	0.6
140.01213	6.8
140.95007	0.6
152.99600	4.1
171.00676	2.6
171.11806	0.6
196.03809	12.0
205.19698	0.6
213.86647	0.5
214.04883	2.8
259.20737	0.6
277.21732	100.0
278.22073	8.3
315.33340	0.6
367.24121	0.8
369.26004	2.7
413.24988	8.2
431.25903	1.2
439.23416	0.6
457.23688	3.2
474.26276	30.1
475.25101	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
61.14043	20.7
69.08575	84.1
69.08999	96.2
71.59663	21.1
97.27117	19.5
100.06656	21.7
125.02429	22.4
127.14848	21.3
163.07744	29.6
237.23334	24.9
269.97037	20.2
313.75119	20.0
407.35251	21.1
457.33240	56.1
474.37582	100.0
474.42969	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37286	0.4
59.01379	2.4
61.36872	0.3
71.01383	1.6
80.02664	0.6
85.02951	1.3
87.00853	0.6
88.04482	0.4
96.96030	0.6
101.02442	0.8
105.17000	0.4
108.02182	29.8
123.04530	15.4
124.85499	0.4
152.01161	62.8
153.01505	1.7
167.03503	100.0
168.03818	3.3
184.05501	0.4
251.62428	0.4
273.95514	0.4
306.92615	0.4
311.07794	1.6
329.08768	1.2
441.88477	0.5
459.47818	0.4
475.14572	24.6
476.14871	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
57.03445	0.6
57.18394	0.5
58.00588	1.4
59.01383	45.6
60.01709	0.7
60.79568	0.4
61.73372	0.3
61.98834	7.5
69.27480	2.9
71.01387	16.6
72.99294	1.1
73.02953	2.5
79.02101	0.4
83.01373	1.5
84.86961	0.4
85.02951	4.6
87.00877	1.2
89.02448	13.9
91.21497	0.4
95.01397	0.8
98.14427	0.4
98.22556	0.8
99.00877	1.5
101.02445	11.2
104.05094	3.1
106.06636	3.0
113.02457	5.5
119.03538	3.1
122.06113	0.8
125.02459	1.1
129.36012	0.4
130.06674	0.6
131.03505	1.2
134.06137	25.6
135.06493	0.4
138.03267	0.9
148.04063	29.5
149.04510	4.6
149.80334	0.4
152.07191	1.5
153.05563	1.1
160.04048	10.7
161.04562	3.2
164.04807	1.6
174.05597	6.4
179.05719	0.8
179.07115	2.7
187.74515	0.4
191.03503	0.5
191.05612	0.7
198.90346	0.4
205.05060	1.5
233.04549	1.1
237.06674	0.7
251.08031	0.8
267.11389	9.1
267.15750	0.6
279.07434	0.4
280.08511	0.6
283.11914	0.6
295.10889	39.0
296.11176	3.1
313.11908	0.9
314.12094	0.4
355.08182	0.6
415.16095	1.0
415.23270	2.7
447.17551	2.4
475.17236	100.0
476.17578	10.1
503.64752	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.0
57.24188	1.7
58.00593	2.7
59.01385	100.0
61.98861	1.9
69.49607	8.1
71.01392	33.5
72.99289	3.3
73.02950	6.0
83.01376	2.9
85.02975	9.1
87.00877	21.3
89.02456	54.8
98.22525	2.7
99.00903	3.2
101.02452	24.3
113.02478	9.4
119.03519	9.6
125.02480	2.5
131.02570	2.1
131.03513	33.0
136.05980	1.6
143.03491	4.7
149.04568	26.9
153.05592	2.1
156.71648	1.7
161.04549	6.6
179.05626	7.4
184.96793	1.7
191.05627	16.7
191.07123	3.2
221.06700	2.8
225.05905	4.0
253.14589	2.4
283.12106	2.8
334.62909	1.9
343.13351	2.0
415.16119	8.6
415.23291	3.7
439.21933	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28256	0.8
54.86354	0.9
55.01874	1.0
57.03450	0.9
58.00575	1.3
59.01384	49.3
60.40944	0.8
61.98842	6.4
63.57410	0.7
69.52708	3.5
71.01389	15.9
71.34750	0.8
72.45160	0.8
72.99305	2.1
73.02946	2.1
78.48067	0.8
82.95409	0.8
83.01385	0.9
85.02964	4.9
88.53776	0.8
89.02457	13.1
93.28420	1.0
95.01422	0.8
98.21839	1.1
99.00896	1.4
101.02455	9.2
104.05061	3.1
106.06609	2.8
113.02456	4.6
119.03493	3.2
125.02428	1.3
131.03554	1.7
134.05110	1.1
134.06134	26.7
148.04070	33.5
149.02460	0.8
149.04541	4.2
152.07159	1.8
152.80888	0.9
153.05650	1.2
160.04027	13.1
161.04684	1.6
174.05595	6.8
179.07225	1.3
193.03847	1.1
225.62947	1.0
267.11420	9.1
295.10910	39.2
296.11249	3.2
381.59546	0.9
415.15869	1.4
415.23398	2.4
447.17816	2.3
475.17255	100.0
476.17581	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85108	2.4
57.03463	3.8
59.01382	76.6
60.99310	17.3
61.98827	3.3
71.01389	13.2
71.31418	5.7
75.09522	2.9
80.59192	2.3
85.02947	5.9
88.98814	100.0
89.02455	42.7
101.02457	7.8
113.02467	12.5
119.03510	5.1
120.88039	2.3
121.02955	7.1
129.24365	2.8
149.04544	2.7
161.04584	8.0
163.04019	2.8
165.05614	3.3
179.05597	4.5
181.08737	2.5
191.20885	2.6
198.58684	2.7
384.83768	2.7
415.23401	9.8
475.18369	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74261	1.4
54.02750	1.6
55.01880	2.5
57.03442	2.5
58.39773	1.4
59.01381	100.0
60.99313	3.4
69.07450	3.7
69.07860	9.0
71.01389	28.7
73.02951	13.2
80.51080	1.5
83.01404	7.2
85.02955	11.7
87.00893	11.5
88.98811	25.6
89.02450	23.5
95.01427	1.6
96.95997	1.7
97.02913	1.5
99.00887	3.9
101.02444	25.3
103.04005	2.1
109.15051	1.4
113.02451	10.3
119.03495	5.0
120.53428	1.3
125.02435	2.9
127.28178	1.3
131.03511	1.4
143.03513	2.1
143.28825	1.6
161.04570	19.4
162.59567	1.3
163.06169	3.0
167.03470	2.3
179.05647	2.3
191.05583	2.6
269.10349	23.5
387.20557	1.5
395.82681	1.5
407.47894	1.8
415.10956	2.5
415.16144	27.9
415.23401	10.6
416.16412	2.3
416.24063	1.6
433.24490	7.6
475.18262	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	62.7
61.98821	2.7
71.01384	28.1
71.30239	3.1
72.99313	3.6
83.01377	1.9
85.02944	9.5
89.02460	38.8
101.02445	13.3
108.02169	25.2
113.02453	9.3
119.03519	15.1
123.00887	6.6
123.04523	15.3
125.18465	1.8
126.60631	1.6
133.02956	2.0
134.55211	1.7
135.04538	3.3
148.51585	1.8
152.01160	56.8
161.02480	1.8
161.04541	3.7
163.03911	2.0
167.03505	100.0
168.03844	4.7
179.05634	18.7
185.28026	1.7
191.05531	2.9
192.95366	1.8
283.14282	3.0
341.14679	3.1
475.14676	34.8
476.15289	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09660	3.4
54.53578	4.5
56.06365	3.7
59.01396	5.0
61.98814	7.5
78.95909	23.9
171.11885	4.2
197.09784	6.5
265.49481	4.3
271.63080	4.0
278.22012	8.7
299.98215	4.7
369.25864	17.3
410.54407	3.9
413.24789	48.6
414.25150	7.7
431.25650	5.4
457.23898	18.2
475.24908	100.0
475.31363	6.7
476.24979	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.0
59.01373	3.6
69.01707	2.4
69.02032	34.1
78.95845	3.7
98.75903	3.4
99.04534	7.0
138.06870	3.2
162.52588	3.7
169.10260	4.9
177.22124	3.0
180.82213	2.7
189.77843	2.8
203.00903	2.9
329.22736	11.6
369.25815	4.2
387.27014	10.7
413.24896	7.9
431.26102	50.6
432.26138	4.8
457.23962	4.0
475.24969	100.0
475.34204	9.7
476.25555	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.9
57.45737	1.4
59.01385	100.0
59.82134	1.4
61.98867	1.4
62.65174	1.3
69.32052	3.6
69.32449	6.3
71.01385	14.1
74.36539	1.3
74.91000	1.4
83.01404	1.9
85.02956	6.3
89.02458	23.3
89.02966	2.3
98.21770	3.0
101.02452	12.1
104.43776	1.3
113.02473	8.5
119.03487	9.6
131.03494	1.4
132.27559	1.5
143.03581	3.2
158.94450	1.3
161.04590	5.9
179.05603	3.9
232.81705	1.3
267.15921	2.4
303.14407	3.3
415.23422	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.6
57.50034	0.5
57.52846	0.6
57.70861	0.6
59.01384	100.0
60.01719	0.7
71.01388	7.5
72.99326	1.1
73.02971	1.5
83.01450	0.7
85.02967	2.0
87.00924	1.0
89.02451	9.9
95.01452	0.4
96.96036	1.3
96.96995	0.4
97.02905	0.5
99.00906	0.8
101.02444	4.5
111.00910	0.6
113.02479	3.7
119.03522	2.6
119.08711	0.7
125.02489	0.7
131.03529	1.3
133.02975	0.8
135.04532	1.1
138.03238	0.9
143.03540	0.6
149.04579	0.8
153.05603	0.8
161.02512	2.9
161.04553	3.1
179.03500	1.0
179.05676	3.0
181.08830	1.0
191.05734	1.4
238.41345	0.5
415.23566	2.9
475.14240	1.0
475.18793	0.8
475.25400	1.2
476.25690	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.8
58.00612	0.9
59.01382	100.0
60.01719	1.1
61.98833	2.9
69.26626	4.8
71.01385	13.1
71.19406	0.7
73.02935	3.8
74.02513	0.7
83.01395	1.5
85.02944	4.5
89.02453	8.3
90.78800	0.7
92.82558	0.7
93.03495	0.8
99.00912	0.9
101.02457	11.1
113.02478	4.8
119.03534	2.4
125.02418	1.3
131.03529	1.6
134.06120	0.9
135.04581	0.9
143.03584	1.3
144.03668	0.7
149.04614	1.9
159.03047	1.1
161.04565	7.0
169.78690	0.8
173.04523	0.8
179.05637	2.3
181.08781	0.9
191.05713	1.5
195.08623	0.7
233.04655	1.2
415.23407	12.7
416.24240	1.1
448.10297	0.9
459.22226	1.3
475.17639	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13533	0.5
53.27383	0.5
59.01383	100.0
59.87019	0.7
60.01702	0.6
61.82612	0.6
62.24411	0.5
67.53597	0.5
69.20693	4.7
71.01392	7.7
72.99366	0.5
73.02956	2.6
81.41164	0.6
83.01378	0.9
85.02965	2.9
88.98831	2.1
89.02449	9.3
95.01427	0.6
97.42082	0.8
98.21794	1.2
98.74452	0.7
99.00833	0.6
101.02457	6.7
113.02475	3.6
119.03507	5.7
132.36382	0.6
143.03535	0.8
161.01932	0.6
161.04584	4.9
175.08934	0.7
179.05682	2.6
415.23376	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19601	0.2
57.03443	0.6
58.59573	0.2
59.01378	1.5
66.12423	0.2
66.77362	0.2
67.01879	0.3
69.03449	0.4
70.50642	0.2
71.01389	0.4
71.31469	0.4
73.37983	0.2
75.46213	0.2
79.05538	0.5
80.02682	1.2
81.03462	1.9
83.05032	4.6
93.03504	0.5
95.05051	1.4
95.56827	0.2
97.06589	0.7
103.92082	0.3
107.05047	0.5
109.06570	1.0
121.06599	0.4
123.08160	0.9
125.06073	0.5
125.09711	2.1
135.08188	1.2
137.09636	0.4
147.08200	0.3
147.11859	0.5
149.09721	0.6
151.11287	0.3
163.11308	3.5
165.12865	1.8
171.10278	3.0
173.09789	0.3
175.11400	0.3
177.12895	0.3
181.12354	0.2
185.11804	0.4
191.10788	2.8
191.14421	0.3
203.14453	0.6
207.10373	0.5
209.11838	100.0
210.12181	4.7
211.13423	0.3
221.11864	0.5
221.15530	0.4
229.12376	0.4
231.13861	0.9
247.13364	1.9
249.14926	1.4
265.14429	0.8
300.04675	0.2
303.15967	0.3
325.39597	0.3
339.23331	0.5
357.24316	0.4
383.22217	2.3
401.23343	8.0
402.23724	0.7
407.14087	0.3
457.25912	1.0
475.27060	14.7
476.27420	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46814	5.0
55.05785	4.0
59.67383	4.8
62.27947	3.9
67.84292	4.4
71.08248	7.4
74.85950	4.8
88.61213	4.9
103.09660	4.4
150.84544	4.6
183.42786	4.8
219.58942	5.3
387.36319	100.0
388.36554	11.2
414.64960	5.1
431.35785	8.3
490.10019	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50344	0.4
59.01382	6.9
61.98833	100.0
71.01388	2.4
73.02958	0.5
89.02460	0.7
101.02466	1.3
113.02479	0.8
134.88570	0.5
145.03008	1.5
149.41158	0.5
161.04623	1.0
227.54530	0.4
347.94421	0.6
416.23990	1.2
417.25195	2.0
477.21725	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76144	0.8
59.01381	15.8
61.98836	100.0
71.01392	12.1
71.25649	0.7
73.02953	2.6
83.01424	1.2
85.02953	4.0
88.98841	0.7
89.02457	7.1
92.44592	0.8
99.00870	1.0
101.02455	6.4
113.02455	5.5
119.03549	2.2
125.33792	0.8
137.85043	0.7
149.04588	1.2
159.06670	1.1
161.04599	6.4
179.05655	1.3
179.55260	0.7
180.18851	0.7
185.78925	0.7
271.02667	0.9
315.05066	1.2
326.39954	0.9
345.19211	5.9
416.23941	1.8
417.24954	2.0
477.10471	2.4
477.24219	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53294	0.6
59.01394	3.3
59.58493	0.6
61.98836	100.0
69.03478	0.8
71.01385	0.7
71.32429	1.0
78.16061	0.5
81.48887	0.7
91.51593	0.7
93.03519	1.2
99.04543	0.9
101.02445	0.8
106.50689	0.7
171.10307	2.5
283.13660	2.2
327.16199	0.8
378.02905	0.6
397.46066	0.7
419.24313	0.8
476.29645	2.2
477.28354	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
69.36536	72.8
71.01367	38.8
89.02450	34.8
101.02477	26.2
113.02449	18.0
119.48983	11.5
120.99683	35.5
123.04527	12.8
131.41026	12.4
138.05580	35.6
148.58214	13.0
191.05582	14.8
359.46890	13.9
432.18643	14.0
477.19470	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
60.74082	0.5
65.70463	0.5
69.03471	0.5
69.89363	0.6
74.90759	0.4
78.95910	37.8
96.96954	1.5
105.66090	0.5
106.35603	0.6
118.39008	0.5
122.00131	0.8
140.01224	4.7
152.99605	4.7
171.00661	2.7
175.70140	0.5
187.91060	0.5
189.12862	1.2
196.03825	10.1
214.04893	2.5
229.15942	0.7
239.14781	0.5
267.17209	0.5
279.23306	100.0
280.23669	8.5
371.27481	2.0
372.20578	0.6
389.28464	3.1
415.26566	1.1
433.27457	15.7
433.33035	1.1
476.27872	30.2
477.26547	24.3
482.57437	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29692	0.3
54.00465	0.2
54.40592	0.2
58.51105	0.3
61.98851	0.4
62.94618	0.3
62.96416	0.3
69.10609	1.9
77.48744	0.2
78.95909	100.0
85.73119	0.3
89.68970	0.3
96.96972	8.5
113.86469	0.3
124.65531	0.2
140.01204	0.4
152.99594	16.8
171.00653	17.1
224.66550	0.3
254.37111	0.3
279.23334	1.9
313.69946	0.3
389.28455	0.4
402.24106	1.5
433.27264	1.0
476.27841	49.9
477.27985	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74720	0.2
59.01370	0.4
69.89498	0.6
74.37704	0.2
75.75655	0.2
78.95909	7.6
87.33672	0.2
87.75962	0.2
93.30592	0.2
98.22519	0.2
122.00137	0.2
122.57423	0.2
140.01166	1.9
141.58020	0.2
152.99590	0.7
155.32259	0.2
171.00568	0.2
196.03831	1.1
206.97008	0.2
214.04863	2.9
259.00110	0.2
261.22266	0.4
271.28769	0.2
279.23291	100.0
280.23657	8.2
311.54840	0.2
476.27838	6.4
476.34641	0.4
477.28210	0.5
498.00543	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1041
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
51.24725	0.6
59.01359	1.2
61.98806	0.8
65.00304	0.5
70.46427	0.8
70.46744	0.9
71.01387	0.9
73.99593	0.5
74.85104	0.5
75.56989	0.5
79.04675	0.5
83.01389	0.6
84.66582	0.6
95.72205	0.6
107.01412	1.0
107.46012	0.5
113.74880	0.5
127.11726	0.5
129.26901	0.6
131.05997	0.6
151.00401	4.1
153.01942	1.0
161.06560	0.6
164.01164	0.7
171.04538	0.8
175.03944	0.6
178.99901	1.0
183.10266	0.6
184.70837	0.5
199.04021	5.1
201.01988	1.5
203.03516	1.2
215.03558	5.5
216.03833	0.5
223.57184	0.6
226.02797	0.9
227.03598	4.9
228.03992	0.7
229.01404	1.1
242.02200	13.4
243.02988	51.1
244.03397	2.9
255.02881	0.7
257.04581	12.6
258.04883	0.9
270.01733	12.8
271.02478	48.3
272.02884	3.2
285.04062	27.7
285.06516	0.7
286.04816	7.7
299.01971	10.1
299.05173	0.9
300.02704	6.6
314.04340	54.2
315.04996	13.2
316.05453	0.7
329.06744	0.7
357.06125	1.5
414.53003	0.6
433.97440	0.6
477.10406	100.0
478.10757	13.3
501.72345	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
69.33447	4.7
91.64301	0.6
97.32866	0.7
98.22503	0.9
114.06942	0.7
140.55495	0.7
150.92616	0.8
151.00339	3.6
171.04454	0.8
199.04039	6.1
201.01938	2.4
203.03534	1.1
214.27882	0.8
215.03491	5.0
225.01981	0.8
227.03470	5.6
231.10399	0.7
242.02188	11.8
243.02986	49.6
244.03381	3.4
255.02930	1.5
257.04550	14.0
258.04868	1.3
270.01733	13.7
271.02466	49.7
272.02805	3.0
285.04056	26.6
286.04736	7.4
299.01974	10.3
300.02725	6.2
314.04343	47.7
315.04962	11.9
357.06091	1.2
382.33694	0.7
477.10397	100.0
478.10806	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.8
69.03440	0.7
70.72427	1.4
71.01389	2.5
73.02934	0.6
75.00843	0.5
75.97266	0.5
85.02949	1.1
89.02467	0.9
95.01392	1.3
100.72437	0.6
101.02439	0.6
107.01441	0.7
108.02183	15.6
108.02937	0.8
109.03002	2.8
110.95803	0.5
113.02436	0.6
119.05098	0.5
123.00877	8.0
124.01675	24.3
125.02467	15.4
135.04546	0.6
141.04294	0.6
149.99603	31.8
151.00284	2.1
152.01166	25.3
153.02032	2.5
163.04016	1.3
167.03450	0.7
168.00656	70.3
169.01405	4.3
177.01944	0.8
179.03427	1.2
194.29578	0.5
223.02692	0.5
283.97253	0.6
313.06015	0.6
331.06735	0.8
344.54340	0.6
358.11316	0.6
428.50009	0.6
459.11484	0.7
477.12527	100.0
478.12839	8.8
496.45892	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62258	0.5
57.14476	0.6
59.01374	2.8
66.17449	0.7
69.53595	3.1
79.01937	0.6
79.46758	0.6
81.03507	0.6
95.01386	0.9
97.02954	1.1
98.21851	1.0
101.38248	0.7
123.00892	9.4
124.01675	30.8
125.02476	17.7
149.99600	42.7
151.00233	1.1
166.99989	0.7
167.03491	1.6
168.00653	100.0
169.01256	5.0
179.70410	0.6
373.50958	0.6
395.12051	0.6
422.51804	0.7
459.11151	0.8
462.50180	0.6
477.12518	83.3
478.12985	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88981	0.7
59.01392	4.2
70.57572	1.7
70.57923	0.8
71.01385	5.4
73.02959	1.1
79.84328	0.7
85.02943	3.2
89.02457	1.7
95.01410	1.1
101.02457	2.5
108.02178	54.2
109.02993	11.5
113.02451	1.7
123.00914	1.0
125.02460	1.8
135.04639	0.7
149.99635	1.2
151.04005	1.5
152.01157	91.1
153.01996	7.8
161.04495	0.9
163.04028	5.1
168.00632	1.7
177.01950	1.4
178.99786	0.7
207.02995	1.4
241.82628	0.8
268.22018	0.7
315.07312	0.9
464.75500	0.7
477.12509	100.0
478.12790	10.0
493.66815	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02056	1.7
57.03447	8.8
58.98203	2.0
59.01091	4.2
59.01386	69.8
60.99323	3.4
61.98815	4.5
63.56358	2.1
69.03477	2.9
71.01388	28.0
71.30060	3.1
72.99306	2.3
73.02934	4.4
79.96577	1.8
85.02959	10.1
87.00879	2.0
88.98817	21.7
89.02451	29.8
95.01405	3.1
95.05041	3.0
96.96048	2.9
97.02960	7.9
97.06609	2.5
99.00876	2.8
99.04534	3.7
101.02475	13.8
109.02966	7.2
109.06592	4.7
110.86851	2.1
111.04546	2.6
113.02460	10.9
119.03513	7.0
119.08671	2.6
121.06600	5.5
122.03756	7.0
123.04561	2.5
124.05302	9.5
125.02448	2.4
125.06130	3.6
131.03572	3.5
137.06107	10.7
139.07658	83.5
147.08163	4.3
149.04530	2.0
149.06003	2.4
161.04582	5.1
163.11237	2.1
165.05534	5.0
168.07924	18.4
169.08682	7.5
183.06677	2.3
183.10266	2.0
187.11311	13.2
188.58687	2.0
190.10045	3.9
201.07666	9.4
205.12323	28.5
217.12375	2.9
235.13390	8.9
249.11310	5.0
261.11203	3.3
271.02313	2.6
279.12402	100.0
280.12759	8.2
297.13428	9.1
315.08966	2.2
315.14413	3.1
345.14853	2.4
397.18887	4.3
417.24841	2.5
431.22824	4.1
441.17615	39.2
442.17899	4.0
477.19336	6.9
477.24783	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06257	0.9
59.01382	87.7
62.28466	0.9
69.20071	0.9
70.83106	1.7
70.83417	1.2
71.01389	11.9
73.02959	4.8
73.19378	1.0
75.00869	3.5
83.01387	1.4
85.02955	3.9
89.02443	4.1
95.01382	1.1
101.02440	8.5
111.57704	1.0
113.02444	5.3
119.03540	1.8
121.02965	14.7
129.91632	1.0
133.05070	3.5
135.04503	1.6
159.03008	1.7
161.04570	17.8
166.06364	76.1
166.62895	1.0
167.06729	2.9
181.08723	100.0
182.09039	4.1
235.08247	10.0
322.40024	0.9
394.10965	1.0
417.17761	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57240	54.7
60.38668	61.7
60.48959	64.6
62.99738	56.6
71.30642	100.0
71.31011	68.4
78.90121	55.6
115.04041	61.5
117.89336	71.4
140.92126	55.6
171.07674	59.1
335.16992	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2647
Annotation	Longipedlactone A
Peak:m/z	Relative Intensity
51.30328	0.5
57.03435	0.7
58.30619	0.5
69.03440	2.1
69.15721	1.4
69.16119	5.0
79.73406	0.7
83.05022	1.1
93.07068	0.7
95.05035	0.7
97.02896	0.6
99.04513	1.1
105.07110	0.6
107.05018	0.9
107.66297	0.6
109.06620	0.6
113.62093	0.6
116.55606	0.5
119.08633	2.7
121.06566	1.8
121.10237	2.4
133.06596	1.3
133.10289	0.8
137.06108	3.0
143.08694	0.8
147.08112	1.3
149.09677	1.3
159.08177	0.8
161.58197	0.6
163.07700	0.9
165.09210	0.9
171.10350	1.0
171.11755	2.5
175.11299	1.3
183.11635	0.6
185.09770	1.1
187.11378	0.7
189.12871	6.4
199.11258	0.7
199.14883	0.9
201.12793	1.1
209.11855	0.8
211.15013	1.3
212.13988	0.7
213.16531	1.8
229.15942	1.4
239.14412	2.6
243.13866	0.8
255.17532	1.1
257.15228	0.9
265.15936	0.6
267.17526	1.1
269.19107	1.2
319.20663	0.9
321.22244	1.1
355.24420	1.1
369.25919	1.2
371.27460	6.4
373.25327	2.2
383.18527	0.9
387.27051	0.9
389.28531	15.5
390.28793	2.0
397.25470	0.8
415.26404	5.1
433.27499	78.5
434.27859	8.9
441.23001	4.6
459.25488	1.3
477.26517	100.0
478.26804	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.265
Annotation	bipinnatone A
Peak:m/z	Relative Intensity
50.74887	0.3
62.13119	0.4
69.03444	0.6
69.04338	2.9
69.04754	1.3
69.96362	0.4
79.08151	0.4
86.16132	0.5
99.04533	0.8
110.01604	0.4
119.08646	0.6
121.02969	0.6
121.06569	0.4
139.07632	0.6
147.08141	1.0
171.11790	1.4
175.11287	0.6
189.12837	1.0
211.14888	0.6
296.52612	0.4
311.82224	0.4
334.96707	0.5
340.34094	0.4
371.27435	1.8
373.25339	0.7
389.28503	1.6
397.25317	0.5
415.26495	1.3
433.27512	11.9
434.27966	1.6
477.26492	100.0
478.26849	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90179	1.5
71.21938	4.2
72.49253	1.5
78.95908	3.3
99.81357	1.8
105.07106	2.6
117.94809	1.6
123.08204	2.8
135.46890	1.7
139.07683	2.5
171.11768	2.5
189.12865	3.0
224.86574	1.8
258.91647	1.7
371.27414	4.4
377.10965	1.7
389.28555	23.0
390.28864	3.7
415.26431	5.7
433.27509	100.0
434.27737	13.0
459.25232	3.9
477.26505	92.1
478.26788	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78179	1.1
58.58934	1.3
69.03435	2.3
71.96824	1.2
78.95911	34.7
90.27934	1.2
93.74523	1.3
98.22639	2.2
119.05123	1.4
119.08659	2.6
121.10218	2.4
133.06549	2.7
140.01134	1.8
152.99559	2.9
163.07617	1.4
171.00601	3.3
171.11777	1.6
173.13350	1.7
189.12830	8.1
197.04082	2.0
213.16414	1.8
239.14525	2.8
243.13863	1.7
278.23877	1.5
279.23370	11.0
280.23666	28.3
281.24033	1.6
355.24472	2.1
371.27521	6.2
373.25360	2.9
389.28391	11.9
390.28870	2.1
415.26260	3.4
433.21457	2.0
433.27542	63.1
434.27899	7.9
477.26633	100.0
478.26801	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2651
Annotation	Longipedlactone A
Peak:m/z	Relative Intensity
57.03436	1.2
60.97614	1.0
62.93345	0.9
65.33968	0.9
69.78581	1.7
69.78974	2.5
78.95913	4.1
119.08693	1.3
119.26131	1.1
135.04556	2.3
136.05280	1.8
137.06113	3.2
138.06877	3.1
140.01123	2.3
163.03954	1.1
164.04790	12.5
165.05588	4.7
165.92545	1.1
185.23312	0.9
196.03769	5.6
214.04884	3.3
279.17685	1.5
281.24872	100.0
338.19028	7.6
338.60242	1.1
355.24814	1.0
371.27396	1.9
375.25351	3.6
389.27698	3.6
415.26468	2.2
433.27902	11.6
433.33099	2.0
459.31079	6.2
477.26486	86.1
477.32590	8.9
478.26404	10.1
478.33075	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82095	1.6
54.73164	1.6
59.01383	100.0
69.20615	11.9
71.01389	31.0
73.02942	5.8
83.01372	2.5
85.02947	9.4
89.02459	18.4
92.38064	1.7
95.01384	1.8
101.02445	20.1
113.02467	12.2
119.03524	7.4
143.03514	3.5
159.03029	3.5
160.73196	1.6
161.04572	24.3
179.05614	2.8
417.24957	86.5
418.25287	7.1
440.52774	2.1
461.24442	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.2
59.01381	100.0
60.01703	1.0
62.22723	0.6
66.85313	0.6
71.01389	15.3
71.30998	1.0
72.99297	1.2
73.02953	3.4
78.95918	1.4
81.02402	0.7
85.02950	5.3
85.06618	2.7
87.00871	0.6
89.02453	5.9
95.01393	1.3
96.96046	0.9
96.96990	2.6
97.03009	0.7
99.00905	1.4
99.92604	1.8
101.02451	10.9
113.02456	7.7
115.04050	1.7
115.92042	1.5
116.92879	1.8
119.03481	1.2
125.02473	0.8
125.26228	0.6
125.85397	0.7
130.26225	0.6
131.03531	0.9
138.05629	0.7
143.03557	0.8
149.04665	0.7
159.03021	1.5
161.04555	13.0
167.03462	1.0
179.05614	1.6
189.07802	1.3
191.05661	0.7
260.06686	0.7
264.99960	0.6
315.05325	0.8
315.08884	1.5
417.24973	32.6
418.25586	3.0
461.24127	1.6
477.27420	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82796	0.4
57.03469	0.6
57.20787	0.4
59.01384	100.0
60.01733	1.1
61.98833	3.8
69.50848	0.4
69.80553	1.5
69.80960	0.8
71.01385	10.5
71.01750	0.8
73.02953	2.8
75.00893	1.7
83.01410	1.2
85.02944	4.4
85.03336	0.4
86.58179	0.5
89.02446	3.0
95.01396	0.9
96.96007	1.2
98.22514	0.6
99.00905	1.9
101.02451	6.5
102.02686	0.5
110.44782	0.5
113.02467	3.8
115.92117	0.6
121.03011	1.7
122.03376	0.6
125.02462	1.0
131.03575	0.7
149.04654	1.0
150.00922	0.5
151.03964	0.6
153.01988	2.7
159.03024	0.9
161.04572	9.6
167.03543	0.5
168.04269	3.0
181.08748	0.7
183.06721	2.0
183.10378	1.4
191.05713	0.8
232.10039	0.5
259.06302	0.6
315.08936	1.5
345.19366	0.9
377.45184	0.5
417.24991	7.9
418.25601	1.0
433.13480	0.4
461.24643	0.7
477.20453	0.9
477.26968	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70792	0.5
57.03451	0.9
59.01384	100.0
60.01717	0.8
61.98831	5.0
69.03450	0.8
70.93746	0.7
70.94077	0.9
71.01385	11.0
72.99314	0.6
73.02965	2.1
81.03516	0.6
83.01421	1.0
84.61427	0.5
85.02932	2.9
85.06612	1.7
87.00903	1.2
89.02441	7.3
95.01402	0.8
97.02972	1.3
99.00883	0.9
99.04582	0.6
101.02454	5.5
102.01301	0.5
113.02467	3.3
119.03541	1.6
123.04548	1.7
125.02483	1.5
131.03546	2.7
138.09286	0.5
139.11328	1.7
143.03578	0.8
149.04633	1.5
151.07741	0.7
151.64622	0.5
155.10883	1.4
161.04575	5.1
165.05556	0.9
167.03508	0.6
179.05661	1.3
183.10277	11.9
183.11807	0.8
191.05647	0.8
199.09814	2.2
226.55148	0.5
262.58206	0.5
279.12573	2.5
293.08893	0.9
303.95905	0.6
315.08807	1.4
345.15866	1.0
348.24707	0.5
417.25046	7.7
418.25623	1.0
433.24298	3.4
437.47537	0.6
439.21954	0.7
477.14133	1.4
477.20117	3.7
477.27051	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.6
58.00605	1.1
59.01385	100.0
60.01714	0.9
61.98838	9.3
66.54704	0.7
67.67425	0.7
70.87802	1.7
71.01390	24.3
72.99358	0.8
73.02958	6.1
83.01401	3.2
85.02965	7.7
87.00906	1.1
89.02451	15.0
89.02962	1.0
89.55212	0.6
95.01422	1.6
99.00932	2.2
101.02459	17.2
113.02465	10.4
119.03523	5.9
125.02492	1.3
131.03526	1.5
143.03552	1.8
149.04602	0.9
159.03024	3.4
161.04567	17.5
179.05618	3.1
211.04135	0.6
243.55353	0.6
271.02628	0.8
280.91318	0.6
314.04404	1.3
340.32907	0.7
345.19168	1.4
376.82047	0.7
401.84076	0.6
417.24982	19.4
418.25443	1.6
477.10382	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60676	0.3
55.01888	0.5
57.03455	0.5
59.01382	100.0
60.01713	1.2
61.98840	1.1
69.24693	3.0
71.01390	7.1
72.99331	0.7
73.02953	2.6
75.00880	0.4
83.01401	0.8
85.02949	2.7
87.00890	0.5
89.02451	2.9
95.01379	0.4
97.02943	0.5
99.00875	0.8
101.02451	6.1
101.03056	0.6
103.04041	0.5
113.02468	2.7
113.36746	0.4
119.03561	1.2
131.27477	0.4
138.03326	0.7
143.03503	0.8
153.05606	0.7
159.03128	0.8
161.04567	5.9
163.06123	0.6
183.10240	0.4
183.26318	0.4
191.05701	0.4
241.07458	0.7
242.08211	0.9
243.08936	0.5
255.08867	0.6
315.01581	0.7
331.17776	0.6
377.14670	2.2
417.25201	4.2
418.25803	0.5
434.24765	0.4
477.17273	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.7
59.01383	100.0
61.33149	1.9
61.98835	35.3
63.60625	1.6
69.23543	4.9
69.23950	9.4
71.01396	25.6
73.02941	5.6
85.02943	8.1
89.02460	8.2
95.01410	2.7
95.28049	2.4
101.02448	14.2
113.02442	11.3
118.93958	2.0
119.03509	3.5
154.25473	1.9
159.02803	2.1
161.04576	21.1
242.02344	2.3
243.03050	2.1
274.71814	1.8
285.04083	2.8
287.02100	3.0
314.04269	3.6
315.01559	8.2
315.05042	2.6
335.30692	1.9
417.24890	32.6
477.10519	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71194	0.6
54.67950	0.7
55.01875	6.7
57.03450	6.6
58.00598	3.0
58.00842	0.5
59.01383	58.0
61.98799	1.2
68.99808	0.9
69.03474	1.5
70.93525	1.2
71.01386	100.0
71.05019	0.7
72.01702	0.9
72.99316	4.8
73.02953	32.7
75.00858	1.8
78.17831	0.5
81.03453	0.9
83.01390	17.4
84.02184	1.0
85.02958	50.0
85.21326	0.5
86.00085	2.3
87.00873	5.4
89.02452	27.7
90.02792	0.7
95.01397	7.0
97.02959	3.0
98.21973	1.0
99.00883	14.5
101.02451	93.9
102.02774	1.2
111.00882	1.8
112.71806	0.6
113.02461	42.6
114.02838	0.8
119.03523	10.5
125.02468	2.1
129.01949	2.1
131.03525	1.5
143.03526	4.6
149.04497	0.7
152.04820	1.5
159.02997	9.2
161.04565	45.1
164.88242	0.7
171.10255	0.7
179.05621	1.1
191.05464	0.6
205.03609	2.0
271.02557	0.9
297.24408	2.4
315.25900	7.8
343.25531	0.6
408.66238	0.6
477.30029	40.2
478.30106	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
57.03436	1.0
58.00579	0.6
59.01379	10.8
61.98821	0.6
69.03432	0.5
71.01384	10.4
71.32026	0.4
72.99301	0.8
73.02945	1.9
75.00855	0.3
83.01374	1.3
83.77811	0.3
85.02947	3.4
87.00869	0.9
89.02447	3.1
92.28934	0.3
95.01370	0.7
95.78117	0.3
95.94427	0.4
99.00890	0.7
101.02452	5.1
111.00868	0.6
113.02456	2.8
113.09761	0.4
119.03468	0.9
138.42746	0.3
157.12321	0.5
297.24374	6.4
298.24686	0.4
313.23901	1.0
315.25394	30.7
316.25751	2.2
329.26974	0.4
352.25641	0.3
357.26413	0.6
395.43906	0.3
427.08636	0.3
459.29584	1.4
477.30692	100.0
478.31097	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.3
57.03446	1.3
58.00590	0.9
59.01382	17.6
60.01722	0.5
61.98521	0.6
61.98832	9.6
67.92075	0.4
69.03441	0.4
71.01386	13.6
71.32166	0.6
71.32558	0.6
72.01677	0.3
72.99303	1.6
73.02956	2.3
80.80082	0.4
83.01394	2.9
83.05039	0.7
85.02949	5.2
85.41234	0.5
87.00866	1.8
89.02448	5.9
95.01369	1.3
95.35449	0.4
99.00892	1.7
99.15590	0.4
100.76410	0.4
101.02439	7.6
101.03054	0.8
111.00874	1.1
113.02469	4.5
113.09676	0.4
119.03533	2.0
125.02463	0.8
132.02927	0.4
137.02541	0.6
139.07663	0.4
151.07628	0.5
155.48834	0.4
161.04559	1.6
243.02863	0.5
271.02545	0.5
297.24356	5.5
313.23880	1.7
315.25424	32.2
316.25726	2.4
329.26990	0.5
417.24841	1.6
459.29590	1.6
477.30695	100.0
478.31003	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
57.03443	2.0
58.00594	1.2
59.01385	23.6
61.98835	0.6
69.08956	2.5
69.09378	1.4
71.01389	24.2
72.01717	0.6
72.99295	1.8
73.02951	6.1
73.72971	0.4
75.00864	0.5
83.01398	3.6
85.02960	10.3
87.00880	1.6
89.02452	7.2
95.01389	1.9
98.22050	1.9
98.22603	0.5
99.00874	2.5
101.02455	17.6
111.00905	0.8
113.02461	9.5
119.03508	3.0
121.02953	1.3
122.85887	0.4
125.02483	0.8
125.09756	0.4
127.11263	0.9
129.01976	0.9
132.12128	0.5
141.12863	1.2
143.03502	0.8
155.10770	1.2
158.60760	0.5
159.03043	1.2
159.38390	0.5
161.04584	5.6
171.10252	1.7
171.13887	0.4
175.40724	0.4
243.03067	0.5
279.23285	1.6
295.22897	0.5
297.24380	8.6
313.23944	2.2
315.25446	27.7
316.25934	2.2
327.05106	1.1
342.07404	0.5
343.24973	0.6
357.09988	1.9
433.33127	1.8
451.87076	0.5
459.29721	0.6
477.30719	100.0
478.31128	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.4
59.01379	4.7
70.31030	1.3
70.90098	1.1
71.05038	7.5
71.31327	1.9
83.05044	2.1
85.06602	6.5
97.06592	1.3
97.53071	1.4
99.04525	2.6
101.06089	2.2
109.06620	2.6
121.02909	2.2
122.03739	5.3
123.04562	11.2
123.08148	2.9
125.06094	3.5
126.46812	1.2
135.04527	12.3
135.08142	2.3
136.05313	2.5
137.09726	1.6
138.06868	3.7
139.07634	3.3
155.07117	7.3
157.12366	3.2
168.90591	1.0
175.07677	1.4
186.25298	1.3
203.10794	2.1
391.32300	10.4
415.32358	2.7
431.31723	4.5
433.27649	7.6
433.33215	100.0
434.28192	2.2
434.33621	13.6
435.31039	2.7
459.25864	1.9
477.10748	1.9
477.26022	14.4
477.33264	15.4
478.26868	1.4
478.32877	2.9
491.55151	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56794	1.2
58.24257	1.2
59.01391	10.5
65.62642	1.2
69.20119	11.4
72.46073	1.3
74.38570	1.3
122.03839	2.0
123.04530	5.7
133.06602	3.9
135.04544	4.1
136.05324	20.2
136.06287	2.5
137.06114	8.3
149.06107	3.2
149.09668	1.7
150.06894	1.8
151.07655	5.0
162.06863	2.2
163.04056	1.7
164.04807	48.0
164.08408	2.5
165.05525	2.3
165.09218	3.6
175.07683	1.5
177.05629	1.6
178.06375	2.2
193.08733	3.9
283.08255	1.3
339.43106	1.4
417.33652	2.9
425.75302	1.4
434.34253	1.5
435.34787	47.8
436.34982	7.0
441.33932	1.8
449.36417	2.0
462.33356	2.5
477.35931	100.0
478.36414	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	6.3
60.01722	1.0
61.98834	100.0
69.03470	1.1
69.27866	6.2
71.01394	3.9
72.01722	0.9
80.32111	0.8
89.02460	4.7
90.02812	0.9
91.02895	1.0
101.02474	2.5
113.02454	1.2
131.03537	1.9
139.11337	1.2
149.04601	1.0
151.05083	0.9
160.42467	1.0
183.10297	3.6
183.29826	0.8
184.10666	4.1
191.05614	0.8
193.06042	1.0
347.17087	1.1
350.46011	0.8
432.52063	0.8
491.69595	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03055	0.4
54.15672	0.4
57.03449	2.6
58.72850	0.4
59.01382	6.0
61.98833	100.0
69.32574	1.3
69.33000	1.4
71.01388	5.6
73.02959	1.1
81.03440	0.9
83.01402	0.8
85.02947	0.9
87.00916	0.5
89.02451	6.4
93.03482	0.8
95.01398	0.5
101.02449	2.5
113.02478	1.1
119.03518	0.7
123.04535	3.5
124.01687	0.8
124.04864	0.8
125.02458	4.7
125.09715	0.5
131.03525	1.0
137.02477	0.7
139.00325	0.5
149.04651	1.2
151.00433	0.5
151.04060	0.6
152.01120	0.9
161.04637	1.0
165.05605	0.9
178.99944	0.6
185.11827	14.5
185.13446	0.7
193.01552	0.5
207.49908	0.4
271.09845	0.6
272.10211	1.1
279.12463	0.8
283.02417	0.4
287.02097	0.4
289.07193	2.2
293.08826	1.2
299.05621	1.1
316.02237	2.2
316.09268	0.6
317.03503	0.4
317.06546	2.3
333.19153	0.5
341.80426	0.5
346.14319	0.4
347.17282	0.6
360.92670	0.5
441.43411	0.4
478.13626	2.5
479.12759	4.1
479.25662	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.2
60.23535	0.3
61.98835	100.0
70.04336	1.3
71.01003	0.4
71.01391	1.8
73.02951	0.5
78.03912	0.4
78.51100	0.4
85.02969	0.7
89.02474	1.3
91.57307	0.4
95.37574	0.4
101.02481	1.7
103.44311	0.4
113.02476	0.7
152.86345	0.4
161.04559	1.0
187.75903	0.4
191.14481	1.8
235.13509	1.4
244.04214	0.5
253.14456	6.7
254.14951	0.6
316.06100	0.7
414.26047	0.4
415.19583	1.9
418.24911	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	33.4
60.01723	2.8
60.99915	1.1
61.98835	100.0
69.14797	2.9
69.15199	6.2
71.01384	9.9
72.01712	2.0
73.02934	4.4
83.01416	1.6
85.02973	3.0
89.02469	4.1
89.68760	0.9
98.22501	2.2
101.02465	6.3
102.02765	1.7
103.13574	1.4
113.02470	2.6
119.03487	1.2
135.04567	1.3
161.04611	5.1
162.04930	1.8
179.03471	2.2
191.05730	1.5
194.05905	3.0
195.06708	1.6
209.08215	5.2
216.11557	1.3
237.94333	1.1
271.02423	1.6
281.34833	1.1
316.02051	2.3
418.25363	12.2
478.10663	4.2
479.19397	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.5
61.98833	100.0
71.01383	3.0
71.31753	1.3
73.02943	1.5
85.02970	1.2
89.02448	1.2
98.22212	1.2
101.02446	2.0
130.73042	0.9
135.04544	1.5
145.70979	0.9
149.04506	1.0
154.43437	0.9
175.32436	1.0
269.00928	1.4
396.32272	1.0
415.23325	7.2
419.03824	2.1
478.29919	2.2
479.20868	2.1
479.32269	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	3.8
61.98836	100.0
69.57587	1.3
71.01385	2.8
85.02927	1.3
89.02452	1.8
94.40991	1.2
97.02914	1.8
98.22153	8.2
101.02431	1.9
114.75769	1.5
137.09625	1.6
186.58643	1.3
255.94475	1.4
356.87039	1.4
376.13483	2.3
391.15826	4.8
415.23438	11.8
478.29608	1.6
479.20715	2.2
498.07120	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.0
60.01709	0.8
60.16587	0.5
60.84955	0.5
61.98835	100.0
66.96699	0.6
71.01386	6.1
71.28622	0.7
72.01746	1.0
73.02965	2.4
78.52451	0.6
78.95913	4.2
84.29647	0.6
85.02959	1.0
89.02459	4.2
99.00906	0.7
101.02467	2.5
113.02473	1.6
119.48922	0.6
125.02489	1.0
135.90323	0.7
137.02536	0.6
149.04671	0.6
161.04562	1.8
162.04990	0.6
165.22063	0.5
191.05713	0.7
233.06711	0.7
234.06876	0.8
301.03284	0.7
316.12497	0.5
317.15308	0.9
345.13803	0.6
346.13879	2.7
418.25320	1.9
438.24734	0.6
468.85049	0.6
478.11337	1.3
478.17877	6.9
478.23929	1.0
479.20752	3.2
485.91803	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51184	0.5
73.01034	0.6
77.90952	0.6
78.95908	29.6
88.79693	0.6
122.00117	0.7
138.06938	0.9
140.01204	6.2
152.99596	2.6
162.36621	0.6
171.00641	1.2
171.61301	0.6
196.03819	11.2
214.04935	2.0
281.24878	100.0
282.25195	6.9
311.85388	0.8
435.29044	7.5
476.74194	0.7
478.29401	22.3
479.28378	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2945
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
51.72335	0.4
52.23941	0.4
57.95243	0.4
66.13495	0.4
71.29731	0.6
78.95911	6.8
93.13328	0.4
108.58419	0.4
109.57847	0.5
140.01170	2.2
152.99606	0.7
195.39980	0.5
196.03822	1.4
214.04884	2.7
258.49585	0.4
263.51727	0.4
271.35916	0.4
281.24878	100.0
282.25189	6.8
309.20035	0.4
478.29355	7.0
479.29398	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0835
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
50.34142	0.5
51.58668	0.5
56.50249	0.6
57.03448	1.2
59.01386	12.4
60.01738	0.7
60.84365	0.6
61.98846	1.7
62.07810	0.5
64.03754	0.6
65.00329	0.7
65.85218	0.7
69.21159	3.2
69.21581	1.8
71.00156	0.7
71.01388	5.8
72.99303	0.7
73.02979	1.4
83.01383	1.4
84.76288	0.5
85.02957	3.0
86.01116	0.7
87.00899	0.6
89.02448	4.2
95.01408	1.4
99.00900	0.7
101.02437	4.4
107.01430	1.7
109.02971	1.6
113.02460	2.1
119.03527	1.3
124.01688	3.0
125.02469	4.7
131.03540	0.7
135.00906	0.7
136.01619	0.7
137.02461	2.7
143.03548	0.6
147.00900	1.1
148.01700	1.4
151.00385	6.3
152.01178	2.4
161.04584	2.1
162.03217	1.4
163.00349	1.6
164.01216	1.3
165.01959	2.0
169.01477	0.7
178.99875	7.0
179.03336	0.6
179.07295	0.6
185.11874	2.2
191.05609	2.6
191.07169	0.6
203.03534	1.4
204.04315	0.7
214.02727	5.9
215.03300	1.6
227.03529	1.3
231.03134	0.7
232.03703	0.6
242.02211	6.1
242.04684	0.9
243.03027	5.1
243.31569	0.5
244.03871	0.7
257.14014	1.7
259.02454	6.0
260.02725	0.6
269.04645	1.3
270.01709	7.5
271.02499	40.2
272.02893	2.4
284.03253	1.3
287.01990	24.7
288.02466	3.4
289.04211	0.6
289.07248	2.7
299.02594	0.7
299.05679	3.2
299.09299	5.2
316.02246	100.0
317.02927	17.7
317.06470	0.8
347.17154	3.9
373.18790	0.7
419.23209	1.6
433.24515	3.3
479.08270	64.7
479.20767	2.8
480.08545	5.8
482.86487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.6
59.01386	6.5
63.02396	1.3
65.00326	4.1
67.01881	1.8
69.13725	3.1
69.14147	6.0
71.01390	3.1
81.03469	2.5
83.01420	6.2
85.02961	1.1
89.02450	1.8
92.97525	1.2
93.03458	1.2
95.01383	8.8
97.02966	1.1
101.02435	2.3
101.20911	1.0
107.01411	5.4
108.02190	8.7
109.02946	3.6
111.00848	2.4
113.02483	1.2
122.03748	2.5
123.00895	13.1
123.04572	7.7
124.01690	14.4
125.02459	36.4
137.02452	1.8
139.00308	1.4
147.00905	1.6
148.01663	2.1
149.02345	2.1
150.99185	2.0
151.00378	24.5
152.01152	17.3
153.01917	8.4
153.05724	1.2
156.00656	1.0
162.03133	1.4
163.00366	1.4
163.03993	3.8
165.01964	2.2
166.02876	1.0
167.03523	1.2
175.00394	2.6
176.01204	2.7
178.99876	26.0
179.03348	1.2
181.01468	3.9
182.62123	1.1
187.04033	3.6
187.48428	1.1
188.04828	1.8
191.05605	1.9
192.04308	1.4
194.02303	1.2
201.05371	1.1
202.10501	1.1
207.06598	1.7
211.03937	1.7
230.05870	13.1
231.06529	2.1
245.08176	7.4
248.09792	1.3
256.03745	1.3
257.04541	1.5
258.05325	2.4
271.06174	3.0
272.06989	7.5
273.07608	5.1
274.04849	9.2
281.04807	1.3
287.06305	2.1
287.09268	29.2
288.09732	2.3
289.07196	100.0
290.07541	5.4
298.04807	1.5
299.05634	1.7
303.08710	1.2
308.48840	1.6
313.07239	29.1
314.07764	1.1
317.03021	1.9
317.06647	37.2
317.10345	37.3
318.07083	2.1
318.10532	2.2
330.83533	1.1
331.08234	11.6
341.05444	1.4
343.08328	2.9
359.07660	1.2
391.10275	1.6
451.12552	23.4
452.12939	2.1
479.11719	8.4
479.21384	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.12
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.2
58.00596	0.9
59.01385	24.5
61.98825	2.6
63.02406	13.7
65.00333	17.7
67.01902	1.3
69.27036	6.6
71.01390	16.9
72.99291	1.2
73.02937	2.1
75.02787	1.0
75.90105	1.1
81.03432	1.4
83.01395	14.8
85.02946	3.2
89.02460	13.0
93.70116	0.9
94.68172	0.9
95.01383	2.3
97.02953	1.5
98.22493	1.6
99.00901	2.0
100.71029	1.1
101.02435	7.2
105.09435	1.0
107.01400	20.5
111.00880	2.2
113.02449	3.8
119.03525	3.2
123.00889	3.8
123.04531	1.4
124.01700	13.9
125.02466	17.6
125.09756	1.3
131.03540	1.8
139.00374	2.8
148.07716	1.1
149.02472	6.0
149.04529	2.1
149.06044	1.5
150.03236	4.6
151.00389	78.7
152.01167	70.7
153.01570	3.4
155.10777	5.8
161.04619	2.8
163.04080	1.1
164.04811	1.3
165.05556	4.1
169.01443	8.3
178.99879	52.7
179.05638	1.7
180.00305	2.4
181.12338	1.4
185.11856	8.7
187.03987	1.1
191.05644	6.0
192.04269	2.0
193.01482	1.1
199.09801	4.0
199.13460	1.4
200.04906	1.5
207.06532	2.3
207.10234	3.3
209.04633	1.2
211.03984	1.3
212.04831	1.2
225.11417	5.1
227.03526	2.9
229.08788	1.3
243.12421	2.7
255.02914	1.5
256.03745	6.2
273.07721	1.7
273.12543	1.4
284.03299	40.9
285.03644	3.2
289.07227	8.9
299.05634	100.0
300.05960	7.1
316.05875	3.8
317.06677	4.1
317.12274	1.2
318.07059	1.1
353.08810	1.6
419.22958	5.0
479.11966	86.0
479.21176	7.3
480.12402	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1198
Annotation	Padmatin 3-glucoside
Peak:m/z	Relative Intensity
56.71549	1.3
57.03470	5.8
59.01386	20.9
60.56915	1.1
61.98830	3.7
63.02399	15.1
65.00330	15.7
69.03471	1.2
71.01397	14.7
72.99299	1.4
73.02956	3.5
83.01396	14.4
85.02965	3.9
87.00877	1.9
88.98859	1.6
89.02456	16.4
89.40425	1.3
95.01405	1.4
96.33611	1.2
97.02959	2.3
98.64067	1.3
99.00900	5.2
101.02471	8.4
107.01399	21.0
108.02180	2.7
111.00891	3.5
113.02454	3.3
119.03478	2.7
120.99654	3.6
121.03033	1.7
123.00906	4.1
123.04551	2.2
124.01675	12.9
125.02461	21.6
134.21173	1.3
136.01660	1.4
137.02443	2.8
139.00429	3.3
141.02010	1.8
142.51501	1.3
143.03522	1.2
145.03020	1.1
149.02512	5.8
149.04582	5.3
149.06136	1.5
150.03287	6.6
151.00389	72.4
152.01170	68.3
153.01851	2.4
164.04784	2.4
165.01917	1.7
165.05620	4.9
169.01472	8.9
178.99875	60.2
180.00406	1.5
181.12410	1.7
185.11850	11.3
192.04422	2.1
193.01427	2.0
193.05127	1.3
200.04669	1.5
207.06621	2.3
207.10283	5.0
209.04544	1.4
211.04144	1.3
225.11324	8.3
227.03528	3.5
233.06709	3.4
243.12437	5.6
256.03754	5.8
273.07730	2.2
279.12524	2.1
283.02411	1.6
284.03284	42.6
285.03745	3.4
289.07190	7.2
293.08771	4.3
299.05627	100.0
300.05930	5.6
316.02365	3.6
316.05817	2.8
317.06729	4.8
317.10138	1.7
479.11987	89.1
479.21371	20.1
480.12256	8.5
480.21082	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1198
Annotation	Padmatin 5-glucoside
Peak:m/z	Relative Intensity
57.03449	17.9
57.67986	1.8
59.01376	12.1
65.00327	4.0
69.20940	7.8
69.21342	4.4
71.01382	8.4
72.99323	2.3
73.02936	2.5
78.95918	4.2
81.03478	2.9
83.01396	8.6
85.02969	2.8
87.00861	2.4
89.02462	5.8
93.03481	3.2
95.01389	3.7
99.92604	6.2
101.02488	6.0
107.01422	6.2
108.02238	3.0
109.02992	2.5
115.92091	7.9
116.92864	6.3
117.14334	2.1
124.01649	3.6
125.02456	100.0
126.02815	2.2
136.01660	2.1
137.02534	2.0
139.04015	2.3
145.02966	5.5
149.02492	10.1
151.00372	29.8
151.04057	2.8
152.01183	15.8
153.01927	9.5
161.04602	2.5
163.04016	2.1
165.01942	11.1
167.03575	2.7
178.99835	17.4
181.19865	2.1
185.11842	11.1
200.04729	2.0
207.06598	2.0
209.04584	5.6
216.75987	1.8
230.05978	2.9
255.03021	2.3
256.03738	4.3
273.07736	6.1
274.04843	6.3
279.12399	3.1
283.02350	2.0
284.03278	27.7
289.07211	78.3
290.07727	6.9
299.05621	63.8
299.09042	4.1
300.05994	5.1
317.06680	41.6
317.10181	3.7
318.07159	3.1
342.06076	2.8
347.17429	4.1
443.15408	4.5
451.12592	3.0
453.49707	2.1
461.11127	2.3
479.12061	77.0
479.21384	6.9
480.12579	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43625	5.7
59.01382	100.0
61.98831	26.2
69.03446	8.8
71.01389	87.6
71.30215	10.0
73.02947	7.1
75.00877	10.4
83.01421	6.6
85.02975	14.4
87.17292	6.4
89.02449	91.3
93.03482	6.5
97.02959	11.6
101.02463	24.4
112.04040	10.2
113.02433	9.2
119.03536	9.1
125.02462	51.8
131.03529	28.0
133.02977	17.3
136.99152	9.1
149.04553	23.3
154.52173	7.4
168.00581	6.7
177.01982	9.8
184.06157	9.4
191.05649	21.0
193.05109	8.2
231.53394	6.5
243.93515	6.7
281.13943	8.7
293.08792	43.6
387.43701	7.0
479.13614	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96975	1.7
58.00581	1.7
59.01382	100.0
59.76022	1.5
61.98823	2.4
69.03443	4.3
69.09551	10.4
69.09973	8.0
71.01387	46.8
73.02937	4.4
75.34831	2.0
83.01394	3.6
85.02949	5.4
89.02451	60.2
96.96072	1.8
97.02950	7.0
98.22295	8.4
101.02431	9.3
113.02453	6.3
123.00864	2.5
125.02471	28.6
131.03532	9.9
143.03439	2.5
149.04562	12.9
149.99538	1.9
168.00630	2.6
171.26164	1.6
194.81531	2.0
238.35887	2.3
293.08759	20.0
308.70682	1.9
381.37720	1.9
381.65192	1.9
388.08911	1.8
469.55258	2.1
479.13062	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1561
Annotation	CHEBI:66720
Peak:m/z	Relative Intensity
53.22180	1.5
56.91711	1.4
59.01381	27.0
60.01754	1.8
61.98835	12.2
67.01891	2.6
69.46619	2.9
69.47026	7.8
70.58876	1.7
71.01388	11.8
72.99303	2.2
73.02949	3.5
78.95909	2.8
83.01392	3.2
85.02952	3.3
89.02468	11.2
95.01392	3.3
96.95995	2.1
96.96973	5.2
97.02919	1.7
98.21770	2.8
101.02456	9.6
107.01406	2.1
108.02177	27.6
109.02966	5.9
111.00872	7.7
113.02459	5.3
116.88347	1.6
116.92917	1.6
119.03462	2.8
122.03685	1.7
123.00894	34.7
123.04527	22.9
124.01685	21.4
125.02464	8.8
131.03511	3.1
133.62878	1.6
139.00377	3.1
147.00893	5.2
148.01663	3.9
149.04552	3.6
151.00386	3.7
153.05559	2.2
161.04559	5.5
162.03258	3.4
163.04018	8.3
178.99867	2.4
189.31158	1.7
191.05612	4.4
194.30432	1.7
201.13245	1.5
238.49239	1.7
257.04584	4.4
272.06949	19.9
273.07306	2.3
287.09265	79.6
288.09674	5.4
289.07156	8.2
317.06915	3.8
317.10287	100.0
318.10632	7.0
347.17029	7.4
479.21588	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62174	0.6
55.01873	0.7
57.03454	28.0
57.39867	0.6
58.00579	0.8
59.01385	45.8
60.01719	1.0
61.29396	0.7
61.98822	2.0
65.00328	1.2
69.03455	2.1
69.16588	4.9
69.16945	0.5
69.17002	0.5
71.01387	33.4
72.01738	0.7
72.99309	1.1
73.02943	4.3
81.03487	1.5
81.07129	0.7
83.01392	2.5
85.02951	5.7
87.00896	1.0
89.02452	33.4
95.01379	3.9
97.02930	1.8
99.00854	1.4
101.02445	14.3
107.01408	1.0
111.00860	1.0
113.02467	8.0
119.03526	3.4
119.59143	0.6
123.00882	1.5
124.01683	2.4
125.02461	23.0
125.09738	4.6
131.03519	7.1
137.02484	0.6
141.12845	1.1
143.03510	2.5
149.04579	7.5
151.00351	3.3
152.01170	5.0
159.02986	1.0
161.04539	5.8
165.01910	1.2
178.99870	2.5
179.05627	0.8
185.11845	100.0
186.12177	3.6
191.05663	2.2
209.11813	1.0
233.06705	0.9
258.05252	1.3
273.07675	1.7
284.03235	0.8
289.07141	8.0
293.08820	5.6
299.05600	2.0
317.06677	6.9
419.22952	15.9
420.23206	0.9
433.24387	1.2
436.26535	1.3
442.04779	0.7
463.21759	1.3
479.12036	16.2
479.24997	2.5
480.12387	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2442
Annotation	Demethylzeylasteral
Peak:m/z	Relative Intensity
51.18444	3.1
69.03449	4.2
71.32175	5.1
71.94597	2.9
87.42439	2.9
97.06649	3.5
98.00102	100.0
99.04523	7.3
105.86295	2.8
106.72246	3.0
107.05024	8.8
109.06603	4.8
111.04504	3.6
121.06628	21.2
123.08182	67.6
135.08136	4.5
137.06131	3.2
139.07661	12.8
143.73886	3.1
149.06079	3.8
149.61314	3.2
165.01967	4.4
167.07130	5.2
177.09213	7.3
239.14510	3.6
267.17615	7.3
269.19098	11.6
311.16525	4.1
373.25323	6.8
391.26505	31.9
392.26926	5.9
417.24225	6.6
422.07410	3.5
435.24744	28.2
436.25751	7.3
454.55960	2.8
479.23663	49.1
479.29776	3.6
480.24664	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40907	2.3
59.01376	5.2
59.98504	4.0
67.01896	2.2
67.09978	2.5
69.03440	4.8
69.95774	9.3
83.05009	2.6
86.72649	2.6
90.08114	2.5
97.02956	24.7
99.04499	3.9
101.44031	2.5
121.49795	2.6
123.88153	2.7
127.33790	2.8
135.04614	3.4
137.06099	38.5
138.06897	20.0
139.07632	4.7
164.04886	3.9
165.05591	39.0
175.11301	3.3
336.57071	2.8
373.25003	2.9
391.26389	78.8
392.26813	10.6
435.25317	100.0
435.29568	61.7
436.25607	10.8
436.29990	9.5
461.26926	5.3
479.27896	91.5
479.33969	41.5
480.28781	12.4
480.34412	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41356	1.3
55.01884	1.9
57.03452	12.3
58.51883	1.7
59.01385	98.2
59.78616	1.5
61.98835	6.0
65.00315	1.5
65.56781	1.6
67.84920	1.5
69.00307	15.0
71.01390	58.8
72.01705	1.9
72.99312	3.9
73.02956	11.4
75.00866	2.2
75.11646	1.5
83.01404	9.5
85.02960	15.6
87.00896	2.9
87.04525	2.1
89.02457	44.3
95.01403	10.7
97.02959	3.6
99.00912	5.2
101.02448	36.2
103.61559	1.6
107.01446	2.4
109.02980	4.0
111.00861	3.3
113.02449	25.5
119.03526	13.9
121.02965	2.2
122.03732	2.9
123.00909	4.0
123.04507	2.4
124.01672	13.6
125.02464	44.3
125.09650	2.1
126.02818	1.8
131.03528	4.2
137.02472	2.9
137.06096	2.3
138.65955	1.6
143.03487	2.8
149.02437	3.3
149.04576	2.5
151.00409	10.8
151.04065	1.9
151.07585	1.6
152.01178	17.3
153.01892	2.9
159.03021	3.7
161.04572	30.1
163.00470	2.5
163.04028	1.9
165.01967	7.4
165.05663	3.0
173.05968	1.9
178.99835	9.5
179.05673	8.4
182.75545	1.5
183.10301	1.6
185.11842	20.7
187.04076	2.3
188.04750	1.5
191.05682	8.8
192.04294	2.1
193.04964	1.7
195.06696	1.8
203.07092	2.0
207.06644	2.1
214.06534	2.1
216.04346	1.8
229.08783	2.0
231.06665	4.4
233.04533	2.6
245.08255	2.2
255.11316	2.3
257.17563	4.4
261.11496	1.9
271.02509	4.5
273.07758	5.0
274.05026	3.2
279.12540	3.2
281.13995	2.3
289.07208	31.2
290.07571	2.5
299.05710	2.0
311.22595	1.7
316.02158	8.2
317.03021	2.2
317.06723	38.9
317.11060	5.4
318.06982	2.1
347.17273	2.3
419.22870	100.0
420.23270	7.7
433.24429	4.2
479.12085	62.3
479.20206	2.9
479.25476	5.4
480.12332	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.9
57.83794	0.5
59.01389	0.4
59.17929	0.4
59.98531	1.7
65.68175	0.4
69.11158	1.0
69.11575	3.9
79.05566	0.5
83.05050	1.5
97.06594	0.8
105.07127	1.1
111.04533	1.8
111.46429	0.4
114.12565	0.7
123.08187	1.3
135.08174	0.6
137.06134	0.8
138.06888	14.4
138.39977	0.4
139.07648	1.9
153.05598	0.7
222.69298	0.4
241.16049	0.6
297.22333	1.0
327.19589	1.0
363.23053	0.8
373.29141	2.4
377.24905	0.7
391.30121	10.4
392.30649	1.3
407.29459	0.5
417.28018	4.8
418.28476	0.8
435.29083	88.4
436.29422	11.2
443.25705	0.7
461.27026	7.8
462.27499	1.0
479.28064	100.0
480.28387	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06747	0.8
59.98509	1.1
62.29015	0.7
81.62613	0.6
83.05026	1.5
85.14444	0.6
88.89856	0.7
98.21812	1.7
103.43404	0.7
103.90152	0.9
105.07095	1.0
123.08201	1.2
138.06876	12.9
139.07655	2.0
166.09335	0.7
229.24457	0.8
283.20804	1.1
363.23053	0.9
373.28967	2.3
377.24963	1.1
391.30115	8.8
417.27917	4.2
435.29062	65.6
436.29352	8.0
461.26929	6.6
462.27481	1.1
479.28055	100.0
480.28519	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13683	0.3
57.03461	1.4
59.98526	0.9
65.65099	0.3
69.03461	1.0
71.22044	0.6
72.91512	0.3
78.09196	0.3
78.95924	0.4
83.05028	0.7
93.07137	0.4
95.05029	0.3
99.04539	0.5
105.07121	0.3
107.05048	0.8
107.08685	1.0
109.06597	0.6
113.07946	0.3
119.08678	0.8
121.06596	0.9
121.10258	1.0
123.08212	0.5
126.30991	0.3
133.10251	0.3
137.06065	0.6
138.06876	3.4
139.07663	0.9
147.08177	1.0
147.11847	0.4
149.09749	0.7
152.99585	0.4
157.81018	0.3
163.07716	0.5
171.11816	0.4
173.09793	0.5
175.11285	0.6
176.96701	0.3
177.12820	1.2
187.11263	0.6
189.12920	2.4
191.14398	0.4
229.15846	0.7
252.33258	0.3
257.19098	0.9
265.15714	0.3
269.19040	0.4
279.21271	0.5
297.22342	0.7
311.12775	0.3
359.23663	0.4
373.29120	1.9
377.24847	1.0
391.30118	7.3
392.30484	0.7
417.28049	1.2
435.29166	13.4
436.29584	1.9
461.27231	0.5
479.28076	100.0
480.28433	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32373	0.9
59.98524	2.4
69.06775	1.2
69.07179	5.7
74.62863	0.9
75.26116	0.8
78.95895	2.2
80.96383	1.2
85.51978	0.9
111.04507	1.0
130.52332	0.9
138.06857	5.8
139.07690	2.3
149.27901	1.2
152.99585	1.3
227.49327	1.0
229.91495	1.2
244.20438	1.0
270.33786	1.1
297.18735	1.1
391.30008	5.2
392.30978	1.2
417.28140	2.9
435.29047	100.0
436.29425	11.8
447.37393	1.0
461.26883	3.6
479.28076	36.0
480.28326	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2808
Annotation	Helisplendidilactone
Peak:m/z	Relative Intensity
57.03464	2.0
59.98528	2.2
63.65540	2.0
71.31712	2.9
71.32157	3.2
78.61990	2.0
79.89924	2.0
99.04530	4.1
137.06079	2.8
138.06892	3.8
139.07645	3.9
149.09666	3.2
155.09073	2.0
163.07744	2.7
377.21375	2.8
391.29980	6.1
393.28015	3.3
435.29150	100.0
436.29459	11.7
479.28464	71.4
480.28351	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.338
Annotation	Brassinolide
Peak:m/z	Relative Intensity
54.20360	1.4
57.03455	1.8
58.57535	1.6
59.01369	2.4
69.03460	3.5
71.05038	3.0
75.22636	1.3
77.96663	1.5
79.05511	3.1
85.06596	15.6
94.04238	2.7
97.06590	10.3
99.08173	10.5
107.05047	5.7
107.08664	2.2
109.06602	19.5
111.08176	4.4
135.04556	1.7
151.07613	2.9
153.05629	6.2
158.05711	1.4
182.61349	1.7
223.20773	1.5
229.25449	2.1
229.56946	1.5
261.32193	1.6
279.27048	2.5
280.77573	1.6
281.24759	2.7
283.26468	5.2
304.53073	1.6
391.35831	20.9
392.36172	2.0
435.34793	100.0
436.35114	15.1
463.04889	2.0
479.33740	46.2
480.34158	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
59.01386	5.8
69.03481	2.2
70.67931	1.2
71.05023	1.6
78.95911	11.6
79.05544	1.4
85.06599	7.4
95.05008	1.9
97.06589	5.6
99.08183	5.1
107.05058	3.0
109.06588	10.0
111.08188	2.4
123.04543	4.3
123.08157	2.4
123.97754	1.3
135.04538	1.3
136.05316	3.4
137.02472	3.7
140.01234	2.9
153.05579	3.9
157.56830	1.2
177.05550	2.3
179.26846	1.1
196.03825	5.3
214.04926	1.6
225.18813	1.5
254.74522	1.2
283.26471	57.4
305.28433	1.2
321.28128	1.5
391.35904	14.4
408.65530	1.1
419.35324	6.0
435.34808	100.0
436.35165	12.0
437.32904	3.7
479.27353	2.6
479.33762	34.2
480.30521	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20135	1.7
59.01371	3.5
61.98835	100.0
63.20032	1.7
68.99788	17.2
69.39027	1.6
84.33504	1.7
85.02979	3.7
85.17960	1.7
101.02424	2.4
107.04964	1.9
121.84948	1.9
127.03997	1.7
134.03751	5.3
187.04231	2.2
187.66747	1.6
191.05637	35.8
227.03482	11.3
255.03020	19.2
284.03271	20.7
285.04004	11.7
289.16653	2.1
307.11832	3.0
417.08228	22.8
418.08603	2.6
481.16821	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85246	0.9
59.01380	13.3
61.64954	0.9
61.98836	100.0
62.99628	0.9
64.66023	0.9
71.01396	9.1
71.05015	5.0
71.30976	1.9
73.02946	1.8
75.00871	1.5
78.91888	3.2
83.01387	2.5
85.02937	2.3
89.02454	10.9
89.19156	0.9
95.05047	1.3
97.02962	8.6
101.02456	5.6
109.02950	9.1
111.04555	1.4
113.02473	2.8
125.02446	4.3
131.03476	2.6
137.02455	1.9
139.04027	60.1
149.04533	5.0
153.01955	15.7
159.07613	1.0
161.04527	1.3
163.04031	3.8
165.01921	6.3
166.06392	1.5
167.06708	1.3
173.04555	1.1
173.46751	1.0
174.03258	1.1
177.62428	1.0
178.39366	1.0
181.08727	1.7
187.04080	1.4
191.05630	4.1
213.94469	1.2
245.08084	1.2
273.04169	1.0
288.09583	1.7
289.07251	1.3
345.08261	18.0
349.18631	1.3
395.41864	1.2
411.95026	1.1
481.22812	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.1
59.01386	27.5
59.67690	2.5
61.98836	65.7
71.01390	22.4
72.51637	2.0
73.02946	3.0
83.01409	3.5
85.02970	2.8
87.93711	2.3
89.02455	36.7
96.96021	4.6
101.02444	12.1
109.02955	2.6
113.02478	6.3
113.09134	2.4
119.19910	1.9
121.02973	2.2
125.02473	28.0
131.03523	21.2
134.03781	3.2
135.04561	4.7
137.02365	2.6
143.10793	100.0
149.04587	16.1
151.04082	3.2
159.04524	2.6
161.04581	2.3
173.04570	5.7
173.05992	2.8
177.01997	3.9
182.09653	2.0
187.04071	2.9
187.07614	2.2
188.04828	3.0
189.02129	2.3
189.44185	1.9
191.05685	10.5
206.47540	2.3
231.10275	16.3
239.16664	3.7
245.11435	2.0
275.16507	2.6
293.08881	15.6
307.11868	2.7
319.12231	5.7
417.08215	2.5
437.20453	7.4
481.17575	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.7
61.03489	0.6
61.98836	100.0
69.92207	0.6
71.01405	1.0
83.57891	0.6
86.38268	0.6
87.00884	1.3
93.03475	4.3
94.17943	0.7
98.22579	2.2
111.04515	0.7
116.95052	0.7
134.03760	1.0
160.68230	0.6
173.04616	2.9
191.05762	1.9
229.30972	0.9
449.14771	1.1
481.17239	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	0.8
59.01373	4.1
61.98832	100.0
67.06417	0.7
71.01379	5.2
73.02968	1.7
83.01425	1.1
85.02956	2.5
89.02450	1.2
99.00898	1.1
101.02460	3.0
107.03799	0.9
113.02449	1.8
122.06111	5.0
125.02460	2.8
131.03549	0.9
132.04568	4.0
137.02454	1.5
151.04047	1.0
151.07631	1.1
152.07191	10.8
158.02454	1.2
160.17302	0.9
161.02473	1.0
161.04515	1.5
165.01903	0.9
176.03516	1.1
190.05141	6.2
191.05623	1.9
239.12057	1.6
291.18246	2.8
315.13486	1.8
323.19867	0.9
329.36145	0.8
341.11475	2.5
355.13095	2.8
404.19733	0.9
417.16714	1.7
427.24857	1.1
437.24207	2.1
480.21442	10.9
480.31424	2.8
481.31973	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26053	1.0
57.03435	1.3
59.01381	4.9
61.98836	100.0
69.29003	2.4
69.29412	5.8
71.01395	2.7
85.02971	1.0
85.99411	0.9
89.02465	2.4
93.03480	1.0
98.22469	2.0
101.02483	1.7
109.02953	1.1
123.04504	1.4
125.02447	4.6
128.09402	1.0
133.02968	3.2
134.03745	4.3
135.04564	2.3
137.02458	1.4
173.04654	1.6
175.53337	1.1
177.01978	3.2
178.02760	2.9
195.96451	1.0
223.91689	0.9
231.10307	1.9
275.09357	3.8
285.04019	1.1
307.11954	2.8
421.20425	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0991
Annotation	Ampelopsin 3'-glucoside
Peak:m/z	Relative Intensity
50.05442	2.0
52.20670	1.9
57.03448	16.3
59.01392	12.1
61.98831	5.0
65.00322	4.1
71.01372	7.3
83.01395	8.1
85.02943	3.8
86.11013	2.0
89.02456	8.6
93.03487	2.3
95.05028	3.0
97.02944	4.3
100.50471	2.2
101.02435	5.6
104.55247	2.2
107.01382	8.5
109.02988	11.2
113.02450	3.1
119.03471	2.8
123.00906	6.5
124.01680	5.7
125.02462	93.6
126.02788	4.0
137.02470	17.0
139.04033	32.9
147.00893	2.4
149.04491	2.3
151.00385	32.4
152.01144	6.7
153.01961	33.0
155.03519	4.4
165.01917	33.4
166.02589	3.8
167.03514	21.5
167.10767	2.5
172.05312	2.6
173.04605	2.2
174.03285	3.1
175.00342	6.9
175.03984	2.6
178.99870	33.2
181.01407	3.7
183.02988	5.5
183.04459	2.4
185.12082	1.9
187.04010	7.4
189.01897	2.8
189.05530	3.8
191.03505	12.9
191.05443	4.6
192.00638	4.7
193.01433	100.0
205.05064	5.0
211.04086	3.3
214.02707	2.4
215.03532	6.2
231.02962	4.9
233.04590	6.7
239.03510	4.7
255.03033	12.3
256.03766	4.3
257.04553	5.1
275.05597	8.1
283.02502	44.6
301.03458	14.9
315.07034	2.8
319.04526	5.0
327.07227	4.0
345.08127	7.6
349.18802	5.8
353.08661	4.0
355.06754	35.5
421.20496	3.1
437.10974	5.3
453.10477	5.1
463.08853	61.0
464.09305	5.9
479.46304	2.3
481.09927	44.1
482.10159	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25273	0.8
55.01867	1.2
59.01379	2.9
69.03470	1.3
69.45423	1.6
69.45835	2.5
71.01374	1.4
71.05025	11.6
73.02937	0.9
77.74081	0.8
89.02467	2.3
93.03481	2.8
94.98103	1.1
95.05033	20.6
97.02959	28.9
98.03255	0.8
98.22513	1.0
101.02443	1.5
109.02959	54.6
110.03298	1.6
115.04026	3.8
119.05059	3.4
120.99628	0.7
121.02972	2.8
123.04674	0.8
125.02466	0.8
137.02449	8.4
139.04025	66.0
140.04359	1.8
144.64854	0.7
153.01950	100.0
154.02307	3.9
163.04034	2.6
165.01949	38.9
175.03984	0.8
176.51723	0.8
183.03000	78.0
184.03328	2.3
255.03119	0.8
275.05667	1.4
278.96707	0.8
283.15582	1.1
301.03674	1.0
315.07245	51.6
316.07568	2.5
319.04803	1.1
319.08154	2.3
481.09946	7.5
481.17194	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02958	0.5
55.01876	1.3
59.01385	3.7
63.96140	0.5
71.01390	3.9
71.05022	8.7
78.91885	1.0
79.77016	0.5
81.03516	0.6
83.01402	1.3
85.02962	1.2
89.02446	3.9
95.05042	2.6
97.02959	10.7
98.22546	0.9
99.90076	0.5
101.02457	1.5
108.02198	0.7
109.02962	17.9
113.02448	1.3
119.03536	0.5
119.05052	0.6
121.02962	0.5
131.03516	1.2
137.02455	1.7
138.10385	0.4
139.04024	100.0
140.04387	2.6
145.03059	0.6
147.68510	0.5
149.04588	1.2
153.01955	31.7
153.05580	0.9
154.02283	0.5
162.21223	0.5
163.04045	3.9
165.01945	12.3
165.03281	0.9
181.04933	0.5
183.03056	1.5
191.05695	1.0
207.03047	0.8
275.05801	0.5
327.07269	1.5
332.31696	0.5
336.17691	0.5
345.08289	37.9
346.08722	2.0
349.18787	1.5
481.23138	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09853	0.7
53.65878	0.6
59.01391	3.3
61.29611	0.7
61.98839	0.8
71.01381	3.0
73.02957	0.7
78.95889	0.7
85.02953	0.7
89.02452	2.9
99.00900	0.7
101.02464	2.3
120.99666	100.0
121.99979	0.9
125.02491	0.9
131.03496	0.8
145.02975	0.9
149.04617	1.5
149.06084	6.1
163.04018	0.8
191.05608	0.8
204.07669	0.7
211.04408	1.4
281.28891	0.7
293.08838	1.6
335.20697	1.7
443.15659	1.1
481.23010	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.154
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84613	0.5
59.01387	2.5
61.98816	0.9
65.79061	0.6
68.47684	0.7
68.87818	0.6
71.01378	2.2
73.02975	0.7
89.02445	2.9
97.15968	0.6
98.21805	1.4
99.00874	1.3
101.02450	1.4
109.03944	0.6
113.02417	0.6
120.99669	100.0
125.02457	0.6
145.02951	1.1
146.07750	0.7
149.04610	1.3
149.06099	7.1
161.04427	0.8
187.13307	0.8
191.05682	1.1
211.04295	1.1
293.08813	1.9
304.94812	0.7
314.72922	0.6
349.18939	0.8
353.44604	0.7
381.21234	0.6
481.11084	1.1
481.23038	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	5.0
61.98824	7.4
66.83567	1.0
69.27450	9.8
71.01381	5.3
71.05033	1.3
72.99344	1.3
73.02920	1.8
76.20535	1.1
78.95905	3.6
82.26686	1.4
83.01438	1.1
85.02950	2.0
87.33473	1.2
89.02442	5.5
93.03496	2.1
97.02956	2.4
101.02473	1.1
109.02969	3.8
113.02457	1.4
119.03487	1.8
125.02457	1.9
133.17783	1.1
133.85107	1.1
136.01585	2.4
137.02495	1.9
139.04015	17.6
153.01888	5.4
161.04572	1.9
163.03937	1.5
165.01851	2.3
191.05602	2.6
195.04440	1.4
197.06053	1.6
212.04866	1.7
213.05551	12.2
223.04063	2.9
224.04787	1.7
241.05084	58.6
242.05415	4.1
245.08275	1.8
256.07428	43.9
257.07932	2.5
271.09775	100.0
272.10226	8.0
319.08618	1.9
319.11804	9.8
320.11819	1.2
345.08194	7.9
502.74484	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53224	0.5
59.01385	0.6
61.98848	2.7
67.29037	0.5
71.01390	0.8
81.03481	0.6
83.05035	1.7
85.02966	0.7
87.00901	0.6
93.03477	3.0
97.06608	6.7
98.70147	0.5
105.03488	0.5
108.40956	0.4
111.04520	3.5
120.86388	0.4
121.02989	0.6
133.03001	3.2
133.19272	0.5
134.03755	100.0
135.04604	7.7
136.00885	0.5
137.02475	2.1
137.30450	0.5
139.04025	0.8
155.03549	4.2
159.04453	0.6
170.97684	0.4
173.04573	6.1
177.01959	6.1
178.02727	19.7
179.03455	2.1
183.82396	0.5
191.05556	0.8
203.10809	1.1
229.37834	0.5
231.10287	4.7
263.12897	2.4
275.09308	4.8
307.11902	87.1
308.12228	5.6
418.08896	0.7
481.17151	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.1
59.01373	1.8
59.74058	0.5
60.99313	5.4
67.01544	0.8
67.01898	14.8
69.03461	3.7
69.04691	3.0
69.05109	2.1
71.01383	4.4
72.80070	0.6
73.02934	0.6
81.03459	2.9
82.52316	0.6
83.05038	2.6
85.02960	1.3
87.00884	18.6
93.03465	100.0
94.03800	2.1
97.06586	1.5
99.00884	2.5
99.04552	1.6
101.02445	0.8
104.81333	0.6
109.02951	1.0
111.03746	0.7
111.04527	14.5
113.02483	1.8
115.04059	1.0
129.01939	2.7
133.02962	2.4
134.03757	24.0
135.04631	2.7
137.02428	2.8
143.03484	1.1
149.74876	0.5
152.99629	0.9
155.03502	3.8
173.04562	59.8
174.04907	1.5
177.01962	3.1
178.02725	9.6
179.03389	0.6
181.39450	0.5
191.05627	1.4
210.33257	0.6
231.10258	1.0
275.09390	3.2
289.16257	0.7
305.69183	0.6
307.11887	4.5
426.74640	0.6
449.14578	9.9
450.14908	0.7
481.17172	30.8
482.17786	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71726	0.7
54.62492	0.8
56.57843	0.9
57.03449	2.6
57.92346	0.9
59.01388	8.1
61.98820	3.6
65.03949	1.5
65.52383	0.7
67.01891	0.8
69.03460	1.1
69.17609	6.2
71.01385	5.3
72.99309	1.3
73.02911	0.8
80.30450	0.8
81.03446	1.0
83.01377	1.0
83.05025	2.4
85.02961	12.3
87.00887	4.3
88.98818	1.4
89.02460	4.2
93.03464	24.9
101.02457	2.3
101.10297	0.9
109.02963	4.5
110.40855	0.8
111.04552	5.4
113.02424	1.8
117.03505	1.0
119.03496	1.1
119.05109	0.9
120.99658	3.3
125.02477	2.0
127.04005	2.3
137.02451	12.6
145.02968	1.0
155.03520	9.9
158.03773	1.4
159.04494	3.5
161.04634	0.9
163.07690	1.0
172.05388	5.4
173.04555	7.0
173.06120	4.5
185.11845	4.3
186.12157	2.3
187.04117	4.7
187.07660	45.1
187.12306	2.0
188.08061	2.2
191.05634	100.0
192.05930	3.0
201.05545	4.2
202.06377	19.6
203.10754	1.2
213.09241	7.0
215.07167	6.3
216.07840	1.5
231.10274	30.7
232.10545	2.4
245.11801	1.4
247.06053	1.0
263.12863	6.2
275.09283	21.2
275.12341	1.6
276.09631	0.9
283.15396	1.0
289.10791	3.2
307.11890	11.0
308.11874	0.9
319.11841	5.7
319.21506	1.0
396.11218	0.9
435.25739	3.2
449.14523	7.0
450.14038	1.3
458.15729	0.9
481.17215	26.0
481.27362	5.1
482.17535	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76235	0.8
57.03438	2.3
59.01387	5.2
60.99310	5.8
61.98823	3.3
66.28064	0.9
67.01892	16.0
69.03452	4.1
69.61973	4.6
71.01384	6.8
81.03461	3.5
83.05014	3.3
85.02967	2.0
87.00886	18.0
93.03467	100.0
94.03805	2.0
95.01434	0.9
97.06599	2.0
99.00907	2.0
99.04534	1.5
101.02445	3.2
109.02937	1.8
111.04526	15.6
113.02440	2.4
115.04018	1.0
119.21475	1.0
125.02494	1.4
129.01935	3.0
131.03546	1.0
133.02998	5.4
134.03757	39.1
135.04556	7.9
137.02467	4.0
143.03474	1.5
144.11125	1.1
155.03545	4.2
161.04666	1.6
173.04556	69.7
174.04887	1.8
177.01942	9.9
178.02731	26.3
179.03511	6.2
180.17767	0.8
191.05620	1.8
212.36159	1.0
223.80952	0.8
231.10286	3.0
255.20851	0.9
275.09207	10.1
289.16635	2.0
307.11880	16.2
336.92773	0.8
435.21890	1.1
449.14636	8.8
481.17209	33.1
482.17798	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.7
57.03444	2.6
58.00597	2.1
59.01382	100.0
61.98852	1.9
68.78348	1.2
69.03017	10.4
69.03419	3.2
71.01389	35.7
72.19136	1.3
72.99313	3.1
73.02950	4.8
75.50031	1.3
83.01406	4.5
85.02963	14.3
87.00895	2.2
89.02454	34.7
93.03488	3.1
95.01406	1.9
98.21867	2.6
99.00901	4.1
101.02454	29.7
102.32281	1.4
105.03484	2.1
113.02458	17.1
119.03502	13.6
121.02961	1.6
124.37983	1.4
125.02452	1.8
131.03513	44.9
133.02975	14.0
134.03749	16.6
135.04562	3.9
137.02478	4.8
139.04073	3.1
142.33220	1.3
143.03526	2.6
149.04567	5.7
155.03464	2.7
161.04601	7.8
173.04536	4.6
177.01945	14.3
178.02742	9.5
179.03380	1.5
179.05569	10.5
191.05577	13.0
217.05258	2.1
258.93854	1.5
259.19125	1.5
275.09213	13.8
289.16586	60.0
290.16937	3.6
307.11826	5.8
319.12442	2.0
352.68976	1.4
366.88672	1.5
421.20822	15.6
449.14301	2.3
459.42572	1.5
481.18607	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.4
59.01381	31.8
59.04256	1.1
60.71215	1.0
61.98821	3.3
69.03449	1.2
69.09845	11.4
71.01385	20.1
73.02951	7.5
79.09891	1.0
81.03407	1.2
83.01388	4.0
85.02952	13.6
87.00889	1.6
89.02456	3.8
93.03472	10.6
94.03838	1.2
97.06601	2.7
99.00878	2.8
101.02449	14.0
106.04245	1.3
109.02934	1.4
111.00945	1.3
111.04543	5.7
111.09631	1.2
113.02464	8.6
113.86360	1.1
117.89230	1.1
120.88293	1.1
121.02974	4.4
125.02496	5.6
129.01936	2.3
131.03519	14.6
133.02972	22.1
133.03918	2.3
134.03763	58.2
135.04559	24.0
137.02454	16.2
139.04022	5.0
143.03499	2.1
155.03534	5.5
159.03076	1.9
161.02501	1.3
161.04576	10.7
162.03221	2.6
173.04565	26.5
177.01947	32.7
178.02724	100.0
179.03496	29.6
187.07652	1.7
191.05536	1.5
231.10327	9.0
253.66908	1.2
275.09259	44.2
276.09650	3.5
289.16592	36.5
307.11908	37.9
308.12250	2.8
421.20923	6.7
449.14664	1.7
466.45935	1.2
481.17151	13.3
481.23166	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.4
59.01381	31.8
59.04256	1.1
60.71215	1.0
61.98821	3.3
69.03449	1.2
69.09845	11.4
71.01385	20.1
73.02951	7.5
79.09891	1.0
81.03407	1.2
83.01388	4.0
85.02952	13.6
87.00889	1.6
89.02456	3.8
93.03472	10.6
94.03838	1.2
97.06601	2.7
99.00878	2.8
101.02449	14.0
106.04245	1.3
109.02934	1.4
111.00945	1.3
111.04543	5.7
111.09631	1.2
113.02464	8.6
113.86360	1.1
117.89230	1.1
120.88293	1.1
121.02974	4.4
125.02496	5.6
129.01936	2.3
131.03519	14.6
133.02972	22.1
133.03918	2.3
134.03763	58.2
135.04559	24.0
137.02454	16.2
139.04022	5.0
143.03499	2.1
155.03534	5.5
159.03076	1.9
161.02501	1.3
161.04576	10.7
162.03221	2.6
173.04565	26.5
177.01947	32.7
178.02724	100.0
179.03496	29.6
187.07652	1.7
191.05536	1.5
231.10327	9.0
253.66908	1.2
275.09259	44.2
276.09650	3.5
289.16592	36.5
307.11908	37.9
308.12250	2.8
421.20923	6.7
449.14664	1.7
466.45935	1.2
481.17151	13.3
481.23166	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16096	5.3
52.38363	5.0
59.01387	100.0
61.98834	5.2
70.33681	16.1
71.01389	62.6
73.02961	10.8
75.00871	16.9
85.02951	13.3
87.00902	6.9
89.02452	74.9
101.02451	28.2
102.90553	6.1
107.85277	5.3
112.05274	9.0
113.02439	21.5
113.06123	6.8
119.03519	27.2
134.07388	7.4
139.04010	22.5
143.03522	6.0
149.09741	60.4
161.04475	8.8
167.10771	88.6
179.05635	21.9
189.06517	7.1
230.80496	6.0
241.14334	11.4
259.15546	19.2
326.25479	5.2
345.08353	7.8
421.20807	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.7
57.03439	3.4
57.83170	1.7
59.01392	3.3
61.74945	2.0
61.98827	2.8
67.01882	2.1
70.07940	2.0
71.01384	7.7
71.43316	1.7
73.02940	11.9
74.61630	2.2
81.03451	7.1
83.01404	4.5
83.05042	18.9
85.02939	3.1
89.01283	2.3
93.03469	64.6
95.74746	1.6
97.06609	1.8
99.00880	3.0
99.04523	3.2
109.02952	20.4
111.00917	3.9
111.04530	100.0
112.04859	3.2
113.02422	3.1
123.08162	2.0
125.02414	3.0
125.09720	3.7
127.07653	2.6
137.02487	18.2
139.07660	16.2
153.01863	2.9
153.09239	7.3
155.03497	12.9
163.11256	2.6
165.01863	2.0
171.10275	12.1
173.04567	35.6
173.06032	3.0
177.05553	1.9
185.11823	3.7
197.11868	7.4
209.11842	29.4
238.11983	2.4
245.19026	3.0
289.18121	13.8
298.31992	2.2
307.19180	61.2
308.19571	4.1
325.20221	37.2
326.20572	2.7
372.09879	2.6
463.23480	2.5
463.30560	2.5
481.18857	2.5
481.25485	4.8
481.31613	4.6
498.50830	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72963	1.4
54.71965	1.4
69.00249	11.8
71.63754	1.2
78.95448	3.0
78.95907	52.4
96.96990	4.8
103.97641	1.3
152.99608	72.9
171.00645	19.5
185.15817	1.5
188.04237	1.2
227.03267	2.4
245.04323	100.0
246.04633	2.0
253.21754	60.1
254.22194	2.1
288.92813	1.6
346.77444	1.4
481.25803	27.5
482.25900	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60207	0.9
56.90901	0.8
69.17738	7.6
69.48611	0.9
78.95449	2.0
78.95911	40.0
96.96961	3.5
98.22530	1.7
111.72632	0.9
115.35160	1.0
152.99597	57.8
171.00633	15.1
224.63333	1.0
227.03252	3.6
245.04326	100.0
246.04587	2.1
253.21741	62.9
254.22032	3.0
481.25616	25.4
482.25995	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23525	1.3
59.98529	3.0
63.67268	1.4
67.64554	1.1
71.32153	1.7
82.75175	1.2
83.05004	2.5
95.04974	1.2
97.02949	2.4
99.04539	8.3
111.04536	2.2
120.35131	1.2
125.09750	1.3
138.06892	6.1
139.07666	7.7
197.11876	7.4
209.11838	3.7
211.55986	1.1
375.26730	2.3
393.28278	2.1
419.25558	3.6
437.26950	8.9
463.24646	2.2
481.25925	100.0
482.26410	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2601
Annotation	Alectinib
Peak:m/z	Relative Intensity
51.29212	0.7
52.64946	0.6
57.03444	2.5
59.01385	5.3
62.58300	0.6
66.56542	0.5
69.03493	0.7
69.11390	6.2
71.01399	3.3
71.05009	2.0
73.02943	2.4
78.95918	3.8
81.03436	0.7
83.05026	1.5
85.02954	0.8
85.06599	4.5
85.34092	0.6
85.39746	0.7
87.00888	8.6
87.04513	4.2
87.33859	0.7
95.05047	0.9
96.96967	0.7
99.04527	2.9
99.14961	0.6
107.05008	0.7
109.06591	1.0
111.04521	2.5
111.08154	1.2
113.06100	68.3
114.06459	0.8
119.08720	0.9
121.06617	1.7
133.06589	1.0
135.08183	2.5
137.02492	0.8
137.09738	1.2
139.07686	2.1
147.08176	1.7
149.09688	2.0
152.99632	5.6
159.08255	0.7
159.11784	1.8
160.10588	0.6
161.09810	0.9
163.11299	1.1
165.09258	0.9
173.09705	1.6
175.07678	0.7
175.11272	2.6
179.10747	3.1
187.11276	0.7
189.12776	1.7
193.12216	0.7
207.10284	1.7
211.14899	3.6
220.46271	0.6
229.12524	0.7
229.15944	1.4
231.13795	0.9
237.12958	0.7
243.13824	0.8
255.13979	1.7
305.19232	0.7
323.20273	1.9
325.21768	1.8
337.21481	0.7
345.22128	0.8
347.23929	6.2
363.23251	2.9
364.23682	0.8
365.20639	1.0
365.24890	11.5
366.25018	1.0
367.19147	2.4
369.20740	1.1
375.23343	0.9
401.24783	1.7
407.22296	3.3
409.23672	8.3
419.26074	5.6
421.23752	0.9
425.78220	0.9
435.25690	1.2
437.27115	5.6
438.27856	1.0
463.24997	5.4
481.25998	100.0
482.26294	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2601
Annotation	Alectinib
Peak:m/z	Relative Intensity
54.01083	1.5
54.77925	1.3
55.76853	1.5
57.03421	3.7
59.01371	1.7
65.78503	1.7
69.02470	17.0
69.02872	2.1
69.03427	5.0
71.01355	1.8
83.05009	9.7
97.06557	4.9
98.21736	3.3
99.04473	6.4
107.08665	3.0
109.06580	2.1
121.06558	6.5
123.08107	5.9
125.09737	100.0
126.10061	2.3
136.05247	2.2
139.07584	4.3
151.07623	4.1
151.11269	3.0
157.10207	2.5
169.08701	3.8
175.11266	3.3
179.10745	1.8
185.09634	1.6
193.12340	1.7
199.11215	4.0
213.16402	6.2
215.14444	2.9
239.14418	9.5
239.38138	2.4
257.15350	2.5
265.15781	5.0
267.17328	4.4
281.19156	16.5
295.20587	3.7
311.16354	6.8
325.21490	6.7
357.25745	4.5
375.23105	2.0
375.26999	20.6
393.28101	12.4
401.24533	2.1
419.25986	8.7
420.26031	2.3
421.27124	2.6
437.26208	46.0
438.27109	6.5
463.24591	9.2
481.25641	89.4
482.25909	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.296
Annotation	Kadsulactone A
Peak:m/z	Relative Intensity
50.94454	0.6
54.50692	0.7
57.03453	2.0
59.01394	1.3
59.98539	1.7
69.03481	2.6
71.30516	0.8
72.11772	0.7
72.99271	0.7
79.35909	0.8
82.25778	0.7
91.35587	0.7
99.04523	7.8
102.31195	0.7
111.04568	1.5
118.96597	0.8
138.06894	5.3
153.05661	0.8
175.11325	0.8
193.15953	0.8
231.17818	1.0
253.21794	2.5
257.19220	2.2
269.19086	7.2
278.62573	0.9
308.60886	0.7
393.31711	32.4
394.31964	2.7
419.29663	2.0
437.30637	100.0
438.30917	13.9
438.36710	0.8
463.28235	1.0
481.29575	26.0
481.35358	2.6
482.29913	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
59.01394	0.5
59.98520	2.1
70.35929	1.2
71.07928	0.5
72.46896	0.4
83.05038	1.2
91.51340	0.5
97.06618	0.5
99.04534	1.8
100.04856	0.7
107.65465	0.4
111.04501	0.5
113.07626	0.5
135.09863	0.5
138.06886	10.4
153.05544	0.6
185.80536	0.4
249.96631	0.5
253.21739	0.6
272.23727	0.6
273.64163	0.5
379.26349	5.3
380.26855	0.6
437.30637	100.0
438.30988	12.6
481.29477	15.8
482.30151	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53521	0.4
57.03452	10.3
59.01374	0.5
80.57138	0.5
98.22539	1.2
99.04469	0.5
175.07619	0.6
203.85164	0.4
321.26010	0.6
335.27310	0.9
337.29126	1.9
347.69821	0.6
359.27380	0.7
367.26367	0.7
375.30606	5.9
377.28854	0.7
391.30008	1.0
393.31879	2.8
419.29550	1.9
437.30493	2.8
438.30804	0.5
463.28595	2.1
481.29602	100.0
482.30008	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.5
69.32300	0.8
69.32577	7.9
128.67053	1.0
138.06886	11.8
145.30409	1.0
155.15012	1.0
253.21646	1.3
278.89771	1.0
284.23303	1.0
342.22217	1.8
363.83884	1.0
379.26465	16.8
380.26852	1.9
437.30643	100.0
438.31018	11.8
481.29669	18.4
482.29843	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2964
Annotation	Kadsulactone A
Peak:m/z	Relative Intensity
52.61232	0.8
57.03445	1.8
69.02573	4.3
69.03000	2.8
78.95907	17.6
84.55965	0.8
152.99567	1.7
168.04272	2.0
185.65372	1.0
188.08690	0.8
200.76318	0.9
209.14053	0.9
224.06989	2.1
225.07220	1.3
255.23286	21.9
256.23639	46.1
257.23981	1.3
333.25839	1.1
335.27313	0.9
345.25964	8.0
346.25946	1.0
347.27579	1.7
359.27307	1.5
363.30692	7.1
375.30597	6.5
376.30609	1.2
379.26413	1.6
393.31955	1.2
407.29553	18.8
408.30032	2.0
409.27344	1.1
415.47754	0.9
419.29575	33.7
420.29849	4.0
437.30612	100.0
438.30948	14.5
451.28427	3.9
463.28271	1.9
481.29694	77.6
482.29874	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2968
Annotation	Coronalolide
Peak:m/z	Relative Intensity
59.01382	13.3
59.29039	8.4
71.29291	9.6
80.31300	9.8
87.01872	9.2
89.31825	8.4
116.40200	10.3
128.81758	8.8
169.82758	8.3
178.37016	8.5
221.20496	10.0
238.06776	9.0
251.32483	8.1
271.22836	15.7
317.17139	10.2
379.26447	89.0
393.24490	12.9
423.25427	100.0
437.30710	13.7
481.29636	86.8
482.29880	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3326
Annotation	Complanadine A
Peak:m/z	Relative Intensity
59.57931	1.5
73.02955	2.1
77.42424	1.2
85.62804	1.2
90.84113	1.1
98.21629	2.1
115.81361	1.1
148.45151	1.1
173.40410	1.3
182.33745	1.2
193.13145	1.1
199.59196	1.0
205.31961	1.3
226.14499	1.1
228.88579	1.5
249.86073	1.2
354.47467	1.1
405.31158	2.0
407.29807	2.0
449.30762	12.6
450.30963	1.6
467.31821	11.2
468.31772	1.4
481.33252	100.0
482.33725	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73019	7.0
69.97013	26.6
71.01382	7.5
84.00920	26.3
93.03452	9.4
97.02963	23.9
98.21878	8.7
98.22410	10.3
113.02482	11.2
113.06106	17.6
116.64571	7.2
126.99053	7.5
137.02438	7.2
137.14026	7.9
184.59842	6.8
201.12918	10.8
211.09039	6.5
277.14490	100.0
278.14981	10.1
308.76831	7.0
330.91519	7.1
482.19077	25.0
483.33981	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29291	4.3
59.01379	9.7
69.02273	40.4
69.02688	10.6
69.34805	4.7
98.22501	8.3
120.34650	3.9
120.99660	15.6
122.99245	12.3
135.00766	4.8
151.00368	13.7
177.08928	4.2
178.99852	5.7
226.50034	3.9
243.02904	8.8
255.03021	23.4
271.02423	32.5
300.02762	68.9
301.03568	58.3
336.28018	5.3
447.09348	100.0
448.09607	9.7
460.17245	5.5
498.65295	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
64.89290	3.2
66.86563	3.2
71.95007	3.8
90.71167	3.5
99.04527	95.9
165.05643	7.7
173.06082	12.7
184.17485	3.9
201.05621	17.1
211.03964	4.1
212.04752	3.6
213.05402	4.6
224.04825	5.4
237.01968	20.8
250.92117	3.3
252.04259	20.5
253.05042	5.3
263.03336	4.2
265.04968	8.3
279.06653	4.0
280.03809	32.9
281.04352	9.7
282.05341	8.4
293.04706	5.3
295.06119	92.1
296.06833	22.7
297.07565	5.6
309.07761	4.0
310.05182	5.2
310.08438	22.7
311.09207	9.0
323.05597	7.5
325.07211	6.1
326.07806	4.0
338.08035	16.2
340.09351	4.8
353.06848	6.7
353.10358	100.0
354.10577	8.5
368.08972	7.0
383.11398	23.4
483.34555	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.6
71.31462	1.4
76.32253	1.4
78.95921	1.5
83.88554	1.2
86.24260	1.2
99.04528	99.7
100.04948	1.6
123.15298	1.4
125.11205	1.3
135.04486	1.5
145.06627	4.7
153.01949	1.4
163.04065	1.3
165.05611	8.3
173.06073	21.3
183.04131	1.3
197.06213	1.3
201.05565	22.7
202.05937	1.6
207.06586	1.5
209.06149	1.9
211.04004	2.4
212.04832	2.1
213.05626	1.6
217.05148	1.6
222.33356	1.3
223.04045	1.8
224.04796	7.5
225.05528	3.0
226.06328	2.8
237.01935	12.7
238.02708	1.5
239.03557	1.4
239.07178	2.8
251.03520	3.4
251.06979	1.6
252.04298	15.1
253.04950	5.7
254.05847	2.3
263.03415	2.3
264.04126	3.2
265.05096	6.4
266.05905	2.0
267.06528	2.8
268.03879	1.7
268.07468	1.3
269.08197	2.2
279.06595	2.7
280.03778	25.0
281.04517	11.6
281.08020	2.9
282.05322	4.7
283.06125	1.9
293.04541	3.8
294.05396	2.3
295.06100	72.0
296.03375	2.8
296.06622	12.4
297.07697	3.6
306.05539	2.0
307.06015	7.3
308.06696	2.4
309.04416	1.6
309.07651	5.0
310.04987	3.3
310.08414	22.2
311.05811	1.9
311.09155	8.8
320.06714	1.6
321.07687	1.9
323.05655	7.1
324.09888	1.5
325.07336	8.2
325.10785	2.2
335.05609	1.7
336.06467	2.3
338.08017	14.0
340.09634	2.2
353.06757	5.8
353.10324	100.0
354.10663	7.6
368.09048	7.3
383.11337	20.3
427.91571	1.3
483.27695	5.8
483.34528	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.7
59.01381	100.0
61.98848	4.2
69.03449	2.8
69.48816	14.8
71.01386	96.1
71.05022	3.0
72.99319	2.4
73.02948	17.3
81.03433	2.2
83.01376	10.0
85.02957	26.7
89.02453	50.8
93.03475	7.2
95.01410	6.2
96.96012	5.0
97.02972	5.2
98.21818	2.3
98.22334	5.5
99.00888	12.2
101.02449	41.0
104.60960	2.3
109.02939	3.6
113.02459	22.9
119.03534	3.2
125.02448	17.9
131.03502	23.6
137.02417	6.2
143.03513	7.1
147.06630	12.2
149.04526	14.4
153.01944	4.1
159.03026	5.0
161.03258	4.9
161.04565	76.4
173.04550	5.2
191.05617	6.1
193.01186	2.6
201.07690	4.4
211.16592	2.6
221.08121	2.3
221.10097	2.5
223.06226	2.3
233.06630	3.6
291.08005	1.6
291.10880	39.9
293.08801	24.9
294.72534	2.3
337.05203	2.7
350.33490	2.5
423.15070	22.1
445.13712	4.6
483.34698	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
71.01367	56.4
71.30678	18.9
73.02962	18.0
76.78214	12.6
85.02935	27.4
89.02441	18.1
99.00956	13.5
101.02431	51.8
105.73283	12.5
111.22800	14.4
113.02454	21.1
131.03471	29.0
135.50061	13.8
136.56517	13.9
158.97134	13.9
161.04544	28.0
192.15855	12.9
291.18127	89.9
423.22388	45.6
447.22195	62.8
483.19022	77.9
483.33878	17.1
504.80670	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00884	11.4
59.01406	12.3
59.96312	10.5
71.01385	32.7
73.02920	11.1
81.73455	11.2
85.02949	14.1
97.25404	10.6
101.02451	13.0
103.44772	10.6
107.09093	12.2
113.02415	20.7
258.39575	13.7
268.40079	13.0
272.22784	12.9
337.37961	11.6
350.96332	12.5
371.88608	11.8
447.22369	100.0
466.53552	11.3
483.19653	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.203
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
59.01383	1.1
59.76851	1.1
71.05010	1.5
73.02962	1.3
79.51745	1.1
82.25488	0.9
83.05035	1.5
83.72618	1.1
85.03012	1.4
85.32943	1.1
95.98112	1.3
97.02959	2.6
99.04527	6.9
123.00891	5.2
124.01677	28.0
130.63680	1.3
138.03241	5.5
139.03040	2.3
139.04031	24.4
139.07643	2.8
139.34962	1.2
140.00389	1.2
140.01625	1.1
160.84245	3.2
203.07104	1.4
212.04869	1.8
213.05550	2.5
216.04410	1.6
225.05521	1.7
226.02690	1.4
226.06360	2.4
227.03487	5.5
227.07167	7.5
228.04335	4.2
228.07803	3.5
228.92372	1.7
229.08617	2.8
239.07224	1.9
239.72755	1.3
241.05058	11.6
242.05905	10.7
243.06630	4.0
254.05791	3.1
255.06644	10.9
256.07349	11.1
257.08160	9.2
267.06534	1.4
270.09003	3.7
271.09772	4.3
284.10532	1.7
285.11249	2.6
307.06223	1.3
309.07852	1.9
313.10867	2.2
314.11526	2.0
325.10883	1.4
326.07962	3.6
328.13245	2.8
338.07968	1.3
339.08722	2.3
341.10382	8.4
352.09634	1.6
353.10483	6.2
354.11099	1.8
356.12424	2.9
363.08771	2.2
366.07413	2.6
367.11911	5.0
368.12604	2.0
377.10535	1.7
381.09552	3.6
381.13641	5.0
382.14343	4.3
383.10992	2.3
383.15338	2.6
393.13528	1.8
395.11365	3.7
396.12189	8.5
397.13004	5.0
407.14996	2.4
409.12924	3.4
410.13681	11.6
411.14487	17.6
412.15073	2.9
421.12500	1.5
425.16144	53.0
426.16513	7.1
427.17828	3.0
439.18347	1.9
440.18533	1.6
448.16840	1.3
451.17798	1.5
453.15466	6.9
468.17972	14.4
483.20285	100.0
483.26938	5.2
483.34872	3.3
484.20547	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2395
Annotation	Withaphysalin N
Peak:m/z	Relative Intensity
50.77606	0.9
50.78526	0.9
56.84547	0.9
57.03440	2.3
59.01370	1.1
59.98514	2.9
69.92922	0.9
71.31821	0.8
71.32217	1.1
76.10143	0.9
81.07075	1.5
83.05028	2.6
93.53932	1.0
99.04527	16.9
107.05052	3.4
109.06609	4.4
111.04536	1.8
111.31492	0.9
113.46873	1.0
123.08184	4.6
125.06070	1.9
135.08231	0.9
138.06892	9.5
139.07661	37.4
140.08003	1.2
153.05630	1.5
159.08139	1.9
163.11290	3.9
169.90781	0.8
173.09735	1.5
175.11272	3.2
189.12889	1.7
217.16086	1.6
238.57495	1.1
255.17549	1.5
257.19211	1.1
269.19116	4.1
280.05975	1.1
281.19141	1.6
283.20734	2.3
295.20752	2.2
299.04672	1.0
333.26071	2.8
351.27036	15.3
352.27209	1.9
395.25934	76.6
396.26343	8.2
421.23648	2.1
421.31113	1.6
439.24921	100.0
439.31665	3.5
440.25372	12.9
483.23874	27.6
483.31165	47.9
484.24307	3.0
484.31534	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	41.5
64.63165	6.9
65.26193	6.1
68.87386	7.2
69.19026	51.2
71.01388	47.1
72.02135	6.5
73.02941	22.3
81.44122	5.9
83.01414	16.4
85.02978	30.4
97.02938	8.4
98.22153	29.5
99.00897	10.4
101.02473	63.4
113.02444	18.0
119.31660	7.0
125.02556	7.5
137.02415	11.1
142.75017	7.7
161.04565	20.4
222.98894	7.2
244.68480	7.8
265.14005	8.6
289.07257	24.9
291.18201	65.0
306.56680	8.7
315.18253	12.8
318.48889	8.9
423.22351	98.8
447.22217	53.9
483.20148	100.0
483.34592	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.3
57.03444	3.8
59.01382	72.4
69.06943	1.9
69.07258	16.4
71.01387	36.7
73.02950	13.1
74.24748	2.0
83.01398	7.1
85.02953	22.2
86.00143	1.9
87.00884	3.2
89.02454	5.9
89.32446	1.3
95.01414	2.5
97.06613	1.7
99.00909	5.5
99.04539	4.9
101.02451	36.2
106.23110	1.9
113.02446	12.2
125.02444	2.8
131.03506	39.4
135.08141	4.5
139.07637	2.3
151.07651	3.0
159.02992	3.7
161.04573	11.4
189.09319	1.5
207.10309	2.6
210.38792	1.8
225.11305	4.1
291.18155	100.0
292.18515	5.3
310.16971	1.7
383.29834	1.7
423.22397	15.2
483.33929	18.9
484.34241	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	4.6
59.01386	59.4
60.12991	3.2
61.98828	15.7
69.30553	11.8
69.30977	11.4
70.10209	3.1
71.01385	52.2
72.99305	6.7
73.02960	22.7
83.01367	12.2
85.02966	28.2
87.00870	7.1
89.02445	11.7
89.95048	3.5
93.03446	7.5
95.01358	2.9
96.96017	5.3
99.00883	5.6
99.04521	4.1
101.02444	44.1
107.05010	3.4
109.02960	5.0
113.02454	19.2
119.03497	3.5
122.03777	5.9
124.01634	6.5
125.02422	5.9
135.04535	77.2
136.05020	4.5
139.28850	3.0
139.49023	2.8
148.05299	7.3
151.07631	12.6
159.02997	4.2
161.04613	16.6
161.05818	3.2
173.04521	5.1
175.07614	9.0
184.20963	2.8
191.05640	23.9
205.04901	3.6
219.13931	12.2
268.80157	4.3
271.02454	5.0
276.17313	77.7
277.18481	100.0
278.18295	9.8
300.02795	7.4
301.03369	4.3
335.07605	3.7
364.13712	3.7
423.22403	70.7
424.22598	5.1
447.09381	10.7
474.03140	3.0
483.23221	21.9
483.34033	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.0
55.33517	1.8
57.03458	3.5
59.01384	76.0
61.98835	4.2
64.99371	1.5
69.17192	16.9
71.01389	38.2
73.02950	17.4
78.95914	2.9
83.01373	10.3
85.02962	20.9
89.02457	5.5
95.01387	2.1
99.00882	9.1
101.02451	37.1
113.02467	13.2
131.03526	32.3
132.85599	2.0
145.03035	2.4
159.03038	4.6
161.04572	14.7
190.19290	1.9
228.94432	1.9
275.17120	1.8
291.18167	100.0
292.18430	7.2
335.16977	2.5
399.85190	2.3
423.22415	24.2
483.20801	1.9
483.33557	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97652	0.5
67.15977	0.5
69.50541	1.9
70.44288	0.5
73.78256	0.6
74.66917	0.5
75.48035	0.6
78.95918	9.8
78.96338	0.6
96.97004	0.9
105.23284	0.7
126.03413	0.5
128.29007	0.5
140.53651	0.6
152.99600	14.6
171.00693	0.8
181.45251	0.5
227.03310	3.1
238.12642	0.6
245.04283	1.8
255.23323	100.0
256.23627	6.3
434.42044	0.6
439.32196	0.7
483.27155	19.3
484.27499	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47898	0.5
63.71083	0.4
65.37715	0.4
69.57642	0.4
70.91791	0.4
70.92108	0.5
71.01385	1.4
73.37117	0.5
78.95911	8.7
96.96969	0.7
133.36580	0.4
140.23685	0.4
149.11433	0.4
152.99596	14.3
171.00648	1.6
208.06038	0.5
220.89149	0.4
227.03185	3.8
245.04274	1.4
255.23303	100.0
256.23627	6.3
275.42722	0.4
313.64499	0.4
323.33127	0.5
411.28906	0.7
421.31076	1.2
439.32269	5.3
440.32782	0.6
465.30173	1.3
483.26108	7.1
483.31039	36.1
484.31396	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08868	0.6
57.03460	3.6
63.28620	0.6
69.23787	5.1
71.01394	8.1
77.53416	0.7
78.95917	8.4
79.42009	0.6
85.60895	0.7
94.05827	0.6
96.97014	0.9
122.79794	0.8
152.99579	15.3
171.00648	1.5
200.98320	0.7
227.03259	2.7
237.52240	0.7
245.04340	1.5
255.23312	100.0
256.23697	7.0
270.03891	0.7
358.44144	0.7
363.27170	1.0
381.27847	1.0
439.32172	11.7
440.32513	1.1
465.30283	1.9
483.26147	7.3
483.32278	40.7
484.32166	6.1
509.11459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92612	0.6
56.61337	0.6
57.03451	0.8
59.01368	3.0
60.48977	0.7
69.95902	2.7
77.66869	0.7
83.05059	0.8
98.21929	1.0
99.04574	0.7
111.04581	1.3
249.08830	0.7
381.27951	8.9
381.32385	0.9
425.27313	1.0
439.32022	3.8
483.31195	100.0
484.31601	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3119
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
57.03446	4.7
59.01374	0.9
63.42454	0.9
70.96233	1.4
78.95901	5.5
87.00900	1.6
105.65074	0.9
111.08166	4.6
129.14972	0.9
131.68219	0.9
152.99615	6.3
153.99915	0.9
154.99994	1.4
245.04320	3.2
246.04604	1.5
247.04700	5.0
253.21684	1.8
254.22105	1.7
255.23305	28.1
327.23331	8.2
369.24426	5.1
373.42175	0.9
393.37805	1.0
404.00433	0.9
407.26505	1.0
421.31146	3.3
439.32181	83.0
440.32437	9.8
443.23221	0.9
465.30106	4.5
483.31271	100.0
484.31421	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01388	9.0
60.98180	0.5
69.70547	1.1
69.70935	0.9
71.01387	1.2
73.75593	0.5
75.68824	0.5
78.95905	1.9
80.65505	0.5
94.68154	0.5
113.44127	0.4
117.27393	0.5
152.99600	3.6
227.03349	1.3
255.23299	26.5
256.23666	1.2
284.20670	0.5
324.24805	1.3
325.25403	0.9
337.25375	0.8
351.27029	1.3
353.28601	3.5
365.28500	0.7
367.30090	5.0
377.28671	0.7
379.30099	2.0
387.94965	0.6
393.31863	4.0
395.33224	12.5
396.33832	1.0
405.28400	0.6
409.27676	0.6
419.29581	1.7
421.31177	2.2
423.29080	1.2
437.30231	2.3
439.32181	9.8
440.32779	0.9
463.28741	1.5
465.30225	3.7
481.29562	12.4
482.30133	1.2
483.31308	100.0
484.31625	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.9
60.20580	0.9
69.13847	3.6
69.14270	3.0
78.95906	7.3
87.36112	1.1
88.06676	0.8
91.22871	1.0
92.31041	0.8
98.21796	2.2
141.09627	1.2
152.99588	5.0
153.99936	1.5
155.00034	1.9
171.00623	1.2
173.01102	0.9
245.04370	5.4
246.04674	4.6
247.04774	8.1
253.21724	3.0
254.22156	2.9
255.22391	4.2
322.35660	0.9
325.27417	0.9
365.28317	0.9
381.28046	5.4
407.25897	2.9
409.55099	0.9
421.31400	1.0
425.27036	25.2
426.27475	3.0
439.32227	8.8
440.32492	1.4
465.29971	4.9
483.31256	100.0
484.31491	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92935	0.5
53.64751	0.5
57.03449	3.4
59.01348	0.9
66.83576	0.5
67.91015	0.5
69.00529	0.6
69.00848	4.5
69.03404	0.5
82.49664	0.5
109.06687	0.5
111.08160	4.7
113.06020	0.6
115.13460	1.1
118.41073	0.4
127.94445	0.5
132.50806	0.5
186.86050	0.5
292.52090	0.5
327.23291	6.5
328.23730	0.8
369.24417	3.6
370.24747	0.7
421.31296	2.9
439.32190	81.6
440.32483	9.0
447.29007	0.8
465.29993	4.6
466.30573	0.7
483.31195	100.0
484.31534	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80324	1.6
62.19377	1.6
67.44562	1.4
70.48875	3.8
76.91695	1.7
85.02990	1.4
90.32788	1.4
99.14203	1.5
105.07130	1.9
168.29297	1.4
377.32089	13.7
414.64285	1.5
421.31149	13.6
422.31177	2.5
439.32220	12.7
461.36237	1.7
465.30109	12.8
483.31107	100.0
484.31561	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.312
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09679	4.7
71.01387	1.0
78.95894	3.1
83.05046	3.9
98.21771	1.4
105.08444	0.6
146.34642	0.6
152.99597	4.8
217.40933	0.7
223.14812	0.7
227.03246	1.2
245.04170	0.6
255.23303	43.7
256.23706	2.5
293.73669	0.7
355.26654	0.8
367.29846	0.7
405.99887	0.7
421.31216	2.8
439.32190	55.8
440.32553	6.8
453.30334	2.1
465.30048	5.2
466.30551	0.7
483.31387	100.0
484.31631	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	6.2
61.78522	2.1
69.00833	13.1
69.01254	15.2
79.78583	2.0
79.91095	2.2
83.04988	2.6
86.26031	2.2
98.22543	4.9
99.04535	10.2
107.34800	2.2
111.04517	8.3
117.95605	2.3
120.26571	2.5
124.97435	2.6
154.06413	2.1
181.93564	2.4
219.30957	2.0
235.10365	2.3
270.58923	2.2
300.35800	2.6
337.25281	12.6
351.23645	2.7
364.96802	2.4
365.24902	5.1
379.26352	6.3
395.25745	5.2
413.26904	2.4
425.27249	100.0
426.27344	10.8
439.32608	3.0
483.31836	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39904	0.7
57.03451	7.7
64.35151	0.8
82.24557	0.7
138.06882	1.9
151.29037	0.7
229.41100	0.8
250.64616	0.7
285.18658	1.7
363.26947	0.9
367.73456	0.8
381.28012	1.5
421.31161	3.2
439.32193	25.0
440.32602	2.8
465.30234	2.1
483.31207	100.0
484.31509	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3119
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
50.63332	0.3
51.81387	0.3
51.81758	0.2
57.03435	0.9
59.01372	0.5
59.58189	0.3
63.95961	0.3
65.35591	0.3
69.11805	1.6
69.12215	1.0
95.53119	0.4
99.04542	0.9
109.06557	0.3
115.28060	0.3
115.50150	0.3
125.09697	0.5
139.07663	0.9
152.32071	0.3
311.19955	0.3
329.21323	1.2
389.91666	0.4
395.25900	1.6
403.30344	0.4
421.31229	3.0
422.31345	0.4
439.24988	1.7
439.32224	4.7
440.25784	0.4
440.32666	0.5
465.30328	2.5
466.30301	0.5
483.31204	100.0
484.31567	13.0
484.37384	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05577	0.4
57.32726	0.5
59.01375	1.1
69.06350	2.1
69.06781	2.6
83.05010	0.6
97.06681	0.5
99.04529	11.6
107.92900	0.5
109.06613	0.6
114.88175	0.5
121.06590	0.9
146.87466	0.5
169.62804	0.4
175.28191	0.5
188.07874	0.5
197.05630	0.5
238.06432	0.6
251.07286	0.7
255.23415	0.7
264.04254	0.8
264.39545	0.5
265.05084	2.1
269.04755	0.5
269.08002	0.5
279.06720	0.7
293.04642	1.3
295.06015	1.0
297.07886	1.7
299.20209	1.9
309.07660	1.1
310.04950	0.7
311.20319	1.8
325.07211	4.5
325.22223	0.5
326.07736	0.6
337.07156	0.7
339.09100	0.5
343.19260	1.1
347.09903	0.5
353.06805	4.3
361.29092	0.9
368.09116	1.5
383.11368	21.4
384.11697	2.6
403.30310	0.8
405.28217	0.8
421.31165	9.1
422.31558	1.0
439.32260	1.4
447.29102	2.0
465.23300	0.7
465.30136	27.5
466.30579	3.1
483.16901	4.1
483.31247	100.0
484.17014	0.9
484.31494	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28666	0.2
62.73599	0.2
66.36925	0.2
68.99803	1.2
69.00222	0.8
73.02944	0.8
134.47281	0.2
308.37683	0.2
339.26971	0.3
407.33163	0.5
429.72580	0.2
451.32159	6.6
452.32721	1.2
469.33124	2.3
470.33401	0.3
483.34818	100.0
484.35172	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76855	0.4
69.77251	0.7
73.86793	0.2
81.00115	0.2
82.14240	0.2
93.81661	0.2
111.72968	0.3
144.18626	0.2
154.21762	0.2
171.80118	0.3
233.16330	0.2
264.93134	0.2
269.06046	0.3
366.27380	0.2
381.28137	0.6
407.33365	0.5
451.32230	1.5
465.33432	0.3
469.33212	0.3
475.40326	0.3
483.34830	100.0
484.35147	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60103	58.7
145.78656	65.1
203.09111	72.9
218.34488	71.1
226.14838	68.4
238.10608	63.8
291.70334	78.0
337.09656	61.5
439.39987	68.2
483.34622	100.0
487.25623	98.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3483
Annotation	Stowardolic acid
Peak:m/z	Relative Intensity
51.96616	0.4
54.82263	0.4
55.16872	0.4
57.03445	0.9
59.00226	0.4
69.03455	4.2
71.01388	12.2
71.05016	1.5
72.65272	0.4
98.21722	0.7
169.28491	0.5
220.52568	0.5
235.86839	0.4
255.23218	1.4
331.51593	0.5
411.32620	5.2
421.34799	9.9
422.35162	1.3
423.32745	1.5
439.35800	3.9
455.31534	0.5
465.34235	0.9
483.34848	100.0
484.35214	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.348
Annotation	Unknow
Peak:m/z	Relative Intensity
95.31753	16.2
215.97601	18.5
219.35269	15.4
348.82785	15.8
445.50662	16.3
483.34836	100.0
484.35278	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.9
61.98836	100.0
69.20519	2.3
69.20938	1.4
71.87096	0.4
75.00880	0.6
75.67208	0.4
80.97776	0.5
85.02983	1.6
134.03795	0.8
135.04256	0.4
137.75035	0.4
159.04498	0.5
173.04637	1.4
187.07645	0.9
191.05661	0.7
202.06296	0.8
231.10446	1.3
263.13074	1.0
265.01614	0.4
275.09366	0.7
308.12622	0.5
309.12445	0.5
310.12598	0.4
405.75092	0.4
485.28699	0.5
487.93774	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51897	13.5
57.03457	27.0
66.73998	11.5
69.03461	17.4
85.02961	14.9
97.02988	11.8
97.06588	26.4
98.21770	19.3
99.04521	100.0
105.76408	12.2
139.07681	87.7
147.49998	13.4
187.28418	14.2
257.19086	18.9
266.02124	14.3
270.03406	12.8
281.04495	39.6
296.06866	48.8
299.20175	28.5
304.43115	12.4
311.09137	31.4
343.19058	40.0
353.10342	32.5
423.25174	31.5
484.26736	22.3
484.31659	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10399	8.8
66.49201	9.7
70.09611	10.6
71.32303	14.0
75.00856	10.0
82.70823	9.7
82.85237	10.5
83.05033	14.0
85.32949	10.3
99.04537	100.0
110.30949	9.6
132.41434	9.7
139.07668	17.2
140.07971	11.8
211.95944	10.9
214.00285	9.5
253.05040	11.7
257.19226	10.5
266.02246	24.6
267.03027	12.9
281.04498	18.5
295.06024	27.8
296.06808	33.3
299.20306	11.8
311.09113	27.7
327.08813	14.6
338.07852	20.0
343.19479	26.0
353.10352	39.4
379.11407	12.0
385.12915	16.7
423.25766	17.6
484.27383	15.5
485.32587	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83215	23.1
66.48460	21.6
69.14403	100.0
69.14831	59.7
84.09787	20.6
90.40124	22.5
183.15802	22.4
383.22339	62.7
466.31577	23.5
485.32730	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70426	4.0
69.04103	30.5
69.04523	13.2
79.76986	4.5
83.04980	6.4
99.04523	100.0
127.04018	32.9
139.07620	9.0
167.30046	4.1
213.85104	5.7
260.22919	4.8
308.33981	3.9
395.25812	9.4
423.25162	6.1
467.24231	4.7
484.25861	5.1
484.31775	74.4
485.32703	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60575	1.4
57.03440	2.8
57.94061	1.5
59.01094	3.4
59.01384	42.2
59.81933	1.4
61.98833	1.5
67.01886	1.7
69.58377	7.0
69.58784	2.3
71.01376	5.9
72.99301	5.0
73.53210	1.7
83.05041	1.7
85.02956	11.1
89.02464	1.7
93.03464	12.7
97.06607	4.4
98.21869	2.1
101.02454	1.7
108.02179	3.6
109.02966	36.9
111.04534	5.8
113.02459	2.5
117.59663	1.7
119.03466	1.8
121.02978	9.8
122.03748	1.9
123.04505	3.4
125.02484	3.3
129.01956	2.5
133.02980	2.1
134.03752	100.0
135.04556	22.7
136.01675	22.6
137.02452	13.6
138.28369	1.6
151.00301	1.7
151.04019	20.6
152.04356	2.3
155.03499	5.2
161.02444	5.6
161.04681	2.2
173.04565	47.3
173.06065	3.6
178.02759	3.1
179.03427	2.8
187.07541	2.8
191.01997	1.8
191.05659	8.7
195.02916	7.6
196.65349	1.4
201.12827	4.9
203.10692	2.8
204.11496	7.2
216.55705	1.6
219.13907	9.8
219.15788	1.6
231.10284	25.1
233.08095	2.4
233.53946	1.4
249.11137	2.1
263.08963	2.6
263.12906	63.6
264.13278	2.7
275.09213	1.8
281.10690	2.4
287.12851	2.4
293.10333	27.8
311.11371	34.0
312.11667	2.6
315.42224	1.6
437.14331	4.5
449.10754	11.1
454.95422	1.6
467.15628	11.3
485.16714	6.9
510.08578	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62115	2.2
56.63720	2.1
57.03443	3.6
69.56030	5.2
69.56417	5.6
70.57314	1.9
83.01404	6.2
90.10219	2.0
91.85466	2.3
93.03468	3.9
95.31632	2.1
98.21893	2.2
109.02960	25.6
111.00894	2.1
121.02968	20.9
123.04536	4.0
124.01678	9.6
125.02467	35.8
133.02951	2.8
135.04662	2.7
137.02455	42.3
147.04530	5.9
149.02417	14.0
150.03238	13.3
151.03998	4.8
159.04550	6.7
161.02475	13.1
163.00447	2.6
163.04050	2.7
164.01216	9.0
165.01927	21.7
173.06059	12.8
174.03293	2.6
175.04018	37.5
177.01942	23.1
177.05591	5.2
189.05603	9.1
191.07167	7.2
197.06081	3.5
199.03951	3.1
201.02026	3.8
201.05597	21.3
202.43788	2.3
203.03569	7.7
213.05588	3.0
215.07095	8.3
217.05072	9.7
218.46457	2.5
219.06567	4.2
225.05557	2.4
240.04236	2.3
241.04994	4.9
243.06618	17.1
245.04562	3.2
258.05402	7.9
259.06128	85.4
260.06497	7.2
269.04568	8.3
283.06122	3.0
287.05630	100.0
288.05975	9.2
311.05576	6.9
341.75638	2.2
403.12512	3.1
421.11685	6.3
449.10904	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.7
65.21146	1.4
67.01895	1.6
71.01397	3.9
72.01256	1.6
73.02511	1.2
73.02974	1.3
75.00864	1.4
81.03483	1.5
83.05042	2.5
85.02956	13.1
85.34834	1.4
87.00874	2.3
87.55072	1.4
93.03471	17.7
97.62772	1.4
104.34760	1.7
109.02949	2.0
111.04518	4.9
134.03743	5.6
135.04504	2.7
137.02472	2.2
143.66751	1.5
146.03716	2.0
149.06067	1.4
151.07701	2.4
155.03499	6.2
158.03763	4.2
159.04503	7.0
159.08174	3.4
170.87328	1.3
172.05342	8.8
173.04553	64.3
173.06058	17.8
174.03212	1.9
174.04782	1.5
174.06819	7.2
175.07616	5.3
187.04042	6.5
187.07645	100.0
188.08128	6.1
191.01897	3.9
191.05614	52.6
192.05858	1.9
192.14105	1.4
201.05576	11.3
202.06369	36.7
202.10030	3.5
203.06995	5.4
203.10783	7.3
213.09203	7.6
215.07118	4.6
216.07896	2.9
225.54167	1.7
229.08742	6.0
230.09253	1.6
231.06917	6.7
231.10255	92.9
232.10674	4.2
257.07953	3.1
275.09253	50.9
276.09595	2.7
449.14615	15.8
485.11972	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31319	1.2
57.03443	2.4
59.01376	15.4
60.39885	1.0
61.98821	2.5
63.33721	1.1
67.01912	2.6
68.55312	1.2
69.75629	1.2
71.01390	6.4
79.95747	1.6
81.03486	1.5
82.71969	1.1
83.05030	1.8
85.02963	11.4
87.00875	6.7
89.02456	2.4
90.84869	1.1
93.03460	18.0
96.96023	1.7
99.00947	1.2
99.92587	3.9
101.02474	2.7
106.89410	1.3
109.02989	2.5
111.04530	5.4
113.02445	2.2
115.92105	3.9
125.02441	2.3
127.04049	2.5
129.01962	1.6
129.60721	1.3
133.02914	1.4
135.04512	2.2
137.02455	1.8
146.03801	1.8
151.07700	2.5
155.03516	5.2
158.03716	1.9
159.04530	3.3
159.08144	3.2
160.05194	1.3
161.04587	1.2
161.09711	1.3
172.05331	4.2
173.04561	26.5
173.06090	8.9
174.03197	1.9
175.07669	3.0
187.04036	3.8
187.07661	52.4
188.08112	2.1
191.05624	100.0
192.05992	3.3
201.05566	12.0
201.09254	1.3
202.06369	34.5
203.07002	3.0
203.10767	3.3
204.04289	1.4
213.09189	3.3
215.07098	2.4
216.07848	3.5
219.13937	2.8
229.08800	1.8
231.06886	6.2
231.10260	54.9
232.10631	3.2
257.08249	5.0
258.45560	1.2
263.12894	13.7
275.09256	35.3
276.09622	2.3
430.40115	1.3
446.64151	1.2
449.14560	27.6
450.14688	2.7
485.12726	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28487	0.7
57.03446	3.4
58.72095	0.7
59.01381	11.6
60.01709	0.8
60.99323	0.9
61.01826	0.7
61.98835	26.0
65.96856	0.6
67.01889	4.4
69.03439	2.0
70.14001	2.9
71.01382	7.7
73.02952	2.0
81.03479	1.2
83.01411	0.9
83.05041	1.7
85.02971	7.1
87.00861	2.0
89.02441	1.5
93.03461	25.7
95.04995	1.0
96.95980	0.9
99.00922	1.0
99.04513	1.6
101.02460	4.0
107.05170	0.9
109.02967	2.5
111.00886	2.2
111.04532	5.8
113.02470	2.1
121.06634	1.1
125.02488	1.0
127.03975	0.8
129.46384	0.8
130.04279	1.0
131.03511	2.6
133.02025	0.8
133.02982	2.0
134.03763	2.4
135.04552	2.0
135.08170	1.3
137.02415	3.6
137.09752	1.5
139.07707	1.9
144.05780	1.0
146.03725	2.2
151.07663	2.1
153.09332	0.7
155.03502	5.2
158.03738	2.7
159.04567	4.0
159.08128	4.4
161.04640	0.9
172.05309	4.3
173.04572	100.0
173.06029	6.7
174.03493	0.7
174.04903	3.1
174.06850	1.7
175.07666	1.4
185.06073	1.0
185.09789	1.0
187.04091	4.1
187.07657	45.3
188.08093	2.9
191.05635	20.4
191.07356	1.3
201.05580	7.0
202.06360	19.8
202.08247	1.3
202.10074	1.0
203.07047	1.8
203.10812	3.1
204.04347	1.3
213.09203	5.0
215.07014	1.1
216.07971	2.3
229.08728	1.9
231.06906	4.8
231.10263	49.4
232.10698	2.6
243.72676	0.7
257.08218	3.1
263.13022	0.9
275.09268	28.6
276.09564	1.5
291.18365	3.7
292.18558	3.6
293.18805	5.1
423.27374	0.9
425.22787	1.7
449.14496	3.9
484.34143	1.3
485.19864	2.0
485.26740	1.6
485.31955	2.7
486.31506	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49271	2.2
57.03453	88.2
58.00594	2.1
59.01382	13.8
60.99302	3.3
61.63890	1.7
61.96180	2.0
66.15533	1.7
67.01900	4.1
69.03468	2.2
69.19063	5.7
69.19492	9.5
71.01383	4.5
72.99309	2.2
81.03461	3.4
85.02946	10.4
87.00883	11.1
93.03461	30.3
99.00942	2.3
99.04528	33.1
99.39796	1.9
101.02454	20.5
109.02969	11.6
111.04549	9.8
112.74599	2.2
113.02444	3.9
121.02966	6.2
122.03741	3.5
125.02470	6.5
127.03924	2.0
134.03749	52.9
134.39864	1.7
135.04529	8.1
136.01669	8.1
137.02443	4.4
151.04027	7.2
155.03511	2.4
162.03207	6.0
163.04004	12.1
164.04807	22.3
173.04564	34.2
173.06026	2.7
177.05585	3.7
178.06300	6.1
179.07146	41.2
180.04311	2.3
183.61357	2.0
187.07635	9.6
191.05635	100.0
192.05942	2.4
195.06654	21.0
202.06372	5.7
216.07808	1.9
231.10222	15.9
239.09253	6.4
256.81122	2.1
263.09119	2.5
263.12729	2.7
275.09250	4.4
293.10352	6.5
309.58731	2.0
311.11313	10.9
323.11307	13.5
341.12396	33.7
393.83475	2.0
437.14532	5.0
449.14752	3.7
467.15698	30.0
485.16806	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58084	2.7
51.71064	2.0
59.01383	3.2
71.31882	2.5
71.32227	2.9
76.15120	3.4
85.02974	5.2
91.43549	2.6
97.02936	7.9
99.04530	90.3
148.74019	2.8
183.05034	2.8
225.05600	3.3
252.00659	10.0
252.04305	4.2
253.01334	4.8
253.05093	3.8
265.01447	7.7
266.02167	29.5
267.02838	8.9
267.06509	2.9
268.03674	4.4
269.04636	3.4
276.82785	2.4
277.05426	2.5
280.01135	2.6
280.03821	21.2
280.06845	3.5
281.04526	36.8
282.05319	10.8
283.05878	2.8
284.06497	2.9
295.06091	15.6
296.06915	64.4
297.04004	7.0
297.07254	4.4
298.04559	3.4
310.08481	10.3
311.05637	4.3
311.09241	46.0
312.06406	4.9
312.09787	2.8
323.05511	8.7
325.07040	5.3
327.08661	13.1
337.07166	3.0
338.07898	14.5
340.09708	3.0
353.10349	44.3
354.10690	4.5
355.07874	3.4
355.12082	3.9
357.13440	6.9
370.10495	9.4
385.13040	16.4
423.32672	13.7
441.33633	11.3
467.31729	7.0
485.33194	100.0
486.32928	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.0
59.01382	33.6
66.70890	0.7
66.77265	0.8
69.34263	0.8
71.01374	2.8
71.39877	0.7
78.64855	0.8
84.04645	0.7
85.02955	1.2
89.02470	1.7
94.90398	0.7
101.02443	2.8
107.05048	0.9
109.06583	0.8
111.04546	1.2
113.02470	4.1
119.03477	0.9
119.08683	0.7
125.06063	2.2
135.08075	1.1
136.05333	3.1
151.00340	1.0
151.07655	1.7
152.08420	1.7
161.04558	1.0
161.09750	0.8
163.07619	1.1
185.09613	0.8
189.09225	1.0
201.12828	9.0
202.52205	0.8
203.10756	5.1
204.11568	19.5
205.11996	1.1
219.13904	24.0
227.10724	0.9
243.13852	2.0
245.11850	3.5
263.12891	100.0
264.13235	5.0
266.29810	0.8
285.03922	0.9
287.12845	4.7
305.14047	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60213	0.8
54.19952	0.8
61.98816	1.5
63.15511	0.9
66.20515	0.9
66.59496	0.9
78.22482	1.0
84.35638	0.9
99.04536	5.7
99.69179	1.1
104.16225	1.2
170.85973	1.0
217.05186	1.1
228.04376	0.9
242.02170	12.8
255.02950	2.6
257.04578	20.0
258.05063	1.1
271.02472	1.0
272.03705	1.7
272.06924	10.4
273.07224	1.1
274.04797	2.0
282.05490	1.2
283.06091	6.7
284.06467	1.2
285.04251	1.2
287.05820	2.4
287.09256	4.7
288.06268	1.5
294.05478	0.9
297.07516	1.3
298.08585	5.8
300.06421	1.8
304.05936	1.2
308.06964	1.8
311.13022	1.6
313.10852	14.8
314.11172	1.0
315.08713	1.4
323.09369	2.4
325.07199	2.2
326.07962	25.2
327.05045	3.2
327.08719	10.4
328.05737	1.2
338.11584	1.8
340.09390	1.6
341.10287	35.9
342.07184	2.2
342.10971	6.7
343.08060	2.0
355.11804	2.6
356.12637	36.3
357.09677	3.5
357.13321	9.2
358.10501	6.4
359.10864	1.0
371.14996	100.0
372.15359	8.8
373.12939	2.5
403.17560	21.0
404.18094	1.7
425.12378	1.3
427.17514	1.4
455.16953	4.4
470.19501	6.9
485.21945	13.1
485.28534	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63568	3.4
61.98825	5.1
62.49167	3.6
69.08161	25.0
69.08574	9.0
73.58462	3.1
85.02946	8.6
99.04537	22.0
115.04022	14.3
281.08191	12.4
284.10681	4.4
296.10593	9.8
297.07785	9.1
309.07776	9.0
311.13028	6.1
324.10043	6.6
325.07199	11.6
327.12524	7.4
339.12421	15.2
355.11884	33.0
356.12125	6.7
370.14307	22.6
385.16589	63.9
386.16928	9.2
425.27054	5.5
426.27274	11.9
427.27570	19.9
438.04065	3.5
441.33740	17.3
455.31720	9.6
467.31674	11.4
485.33109	100.0
486.32852	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
68.58969	0.6
83.05033	0.8
99.04530	7.2
127.16608	0.6
142.40172	0.6
152.85410	0.5
155.80920	0.6
183.55879	0.6
227.03578	1.1
242.02211	14.5
242.04588	1.0
243.02672	0.9
254.02150	0.7
255.02985	2.6
256.03745	1.0
257.04559	18.7
258.01938	0.8
258.04895	1.6
269.04471	0.8
270.05353	1.0
271.02472	1.0
271.06259	1.1
272.03360	2.5
272.06921	11.5
273.07004	0.6
274.04868	2.3
282.05542	0.9
283.06119	8.1
284.06598	1.3
285.04181	0.9
287.05643	2.8
287.09302	3.5
288.06354	2.5
293.11966	0.7
295.06186	0.8
297.07803	1.6
298.08517	7.9
299.08997	1.0
300.06430	1.0
304.05878	1.7
308.06958	1.5
309.07526	0.7
311.05573	2.3
313.10837	14.0
314.11380	0.7
315.08948	1.2
317.10294	0.7
323.09207	2.4
325.07220	1.0
326.07947	28.0
327.04999	3.5
327.08688	11.1
327.12256	1.0
328.05658	0.8
328.09192	1.4
331.08148	0.7
338.11691	2.9
340.09634	0.9
341.10309	38.1
342.07404	1.0
342.10959	7.3
343.08224	1.5
350.55954	0.7
353.14011	1.0
355.11948	1.6
356.12665	40.7
357.09692	4.2
357.13385	8.8
358.10498	7.5
358.14227	0.5
359.11539	0.9
371.15015	100.0
372.15436	9.1
373.13000	2.7
403.17661	20.2
404.18042	1.5
423.14456	1.2
429.17807	0.9
455.17130	3.0
470.19559	4.3
485.21954	8.5
486.22290	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.1
59.01374	7.1
65.03959	2.7
69.03465	2.4
70.99309	1.9
71.01379	6.4
71.32246	2.7
73.02945	5.5
80.11263	1.8
81.03466	3.7
83.01379	4.7
83.05038	16.3
85.02982	2.9
93.03465	60.4
94.03854	2.4
97.06591	2.7
99.00876	4.5
99.04536	4.1
99.08175	4.8
109.02966	17.1
111.00888	4.6
111.04532	82.4
113.02489	2.2
122.87089	2.0
125.02457	1.9
127.03992	3.5
127.11309	1.9
134.03769	6.7
137.02444	21.1
139.07655	9.0
153.01920	3.6
155.03516	18.7
167.03371	1.9
171.02974	2.9
171.10286	5.6
173.04564	39.6
173.06046	3.4
183.13933	6.6
186.70724	1.8
192.56375	1.9
201.11412	2.0
209.11856	6.6
211.13390	25.0
229.14375	17.1
275.09213	2.5
293.21320	2.3
311.22342	3.4
329.23358	100.0
330.23712	6.2
332.55972	1.9
455.34155	3.1
467.34158	2.4
485.14856	2.4
485.28629	15.2
485.34564	2.5
486.28976	3.0
504.54935	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2912
Annotation	Hyrtiosin B
Peak:m/z	Relative Intensity
51.17404	1.3
52.57621	1.3
57.03452	22.4
59.01384	100.0
60.09699	1.3
60.83278	1.5
69.00163	4.7
69.00578	9.9
69.03455	4.4
71.05027	2.3
83.05027	5.9
95.05038	1.5
97.05595	1.3
97.06601	10.5
99.04530	22.1
109.06592	1.9
111.08174	22.4
114.24139	1.4
121.06557	1.4
123.08172	5.6
130.38382	1.5
138.06874	5.0
139.07681	2.1
141.09232	10.5
161.09723	2.6
175.11301	1.6
179.10831	3.8
188.26794	1.6
189.12875	1.9
229.16089	1.5
247.17041	4.8
255.17572	2.3
257.19037	1.9
269.19135	8.2
271.20697	2.9
283.20706	2.6
323.20572	1.7
323.23785	9.6
325.21838	5.0
341.24841	85.5
342.25180	9.3
367.22693	3.9
379.30093	14.4
381.28006	15.9
383.25977	5.9
385.23798	3.7
407.25616	1.8
423.28104	12.1
423.33295	5.1
425.26974	59.0
426.27429	7.0
427.24948	21.2
428.25092	1.9
441.34750	10.4
467.31519	6.1
485.29007	99.8
485.33279	45.1
486.29489	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.327
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
57.03448	0.2
59.01373	0.2
69.68031	0.1
71.01388	0.2
80.25544	0.1
85.06536	0.1
97.06619	0.1
98.22623	0.2
99.04531	0.9
123.08157	0.1
125.09763	0.1
125.74422	0.1
145.75223	0.1
363.30527	0.3
365.28561	0.3
371.07947	0.2
379.33743	0.3
381.31754	0.1
385.27441	0.4
395.33145	0.2
397.34680	0.5
405.31760	0.5
407.29626	0.5
423.32703	7.0
424.33194	0.8
425.30542	0.4
441.33786	3.8
442.34122	0.4
449.30573	1.4
450.31161	0.1
467.31699	1.7
468.32153	0.3
485.32745	100.0
486.33096	12.0
500.01120	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.328
Annotation	Euscaphic Acid C
Peak:m/z	Relative Intensity
54.81852	1.0
54.85927	0.8
55.89589	0.9
57.03446	1.4
59.01373	1.4
64.24659	0.9
66.44109	0.9
71.31541	1.4
71.42399	0.9
72.99284	1.0
83.05038	1.9
87.00884	100.0
88.01208	1.3
255.23456	4.5
256.23727	2.5
257.23929	3.2
307.59125	1.1
359.13940	1.1
383.29532	3.3
397.31085	1.6
423.32565	7.6
424.32928	1.3
441.33780	31.6
442.34055	4.0
449.31097	1.2
467.31656	10.2
485.26001	2.2
485.32761	44.0
486.33401	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.8
59.01374	1.4
62.97408	0.6
70.63164	1.2
71.01379	1.3
83.05055	0.7
85.02960	6.8
87.04523	1.0
99.04515	1.3
111.04585	0.8
117.52386	0.7
273.18787	0.7
341.24911	1.5
365.28299	1.5
377.28738	0.8
395.29474	1.4
399.29047	6.9
400.29523	0.8
405.31784	0.9
423.32709	9.1
424.33682	0.7
441.33786	7.6
442.34143	0.8
467.31653	7.0
468.32022	0.9
485.32806	100.0
486.33127	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3276
Annotation	CHEBI:65783
Peak:m/z	Relative Intensity
52.30105	0.8
53.18993	0.7
57.03453	1.4
69.05733	2.4
69.06147	5.5
71.01352	2.4
74.36366	0.8
83.35738	0.8
83.54541	0.8
85.75286	0.8
87.00881	11.0
98.21780	1.9
126.93224	0.8
135.90289	0.9
166.06117	0.9
252.66006	0.9
255.23271	1.3
256.23746	1.2
328.31076	0.9
411.32675	1.5
423.32721	4.1
441.33762	16.6
442.33972	2.3
467.31638	8.5
468.31946	0.9
471.81995	0.9
485.32712	100.0
486.33023	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35857	0.6
51.76719	0.6
57.03442	1.5
57.26069	0.6
69.09176	3.2
69.09583	1.1
69.12018	0.6
71.01402	5.3
76.45106	0.7
78.95906	3.8
87.00915	0.7
90.22234	0.6
127.06151	0.6
152.99553	2.8
153.99895	0.9
155.00050	1.2
173.30942	0.6
198.93066	0.6
218.65511	0.6
227.03496	0.6
255.23347	16.0
256.23697	10.9
257.23972	18.3
259.72644	0.7
263.53464	0.6
274.13644	0.6
323.68280	0.6
368.79291	0.7
377.28351	1.0
395.29645	0.9
423.32724	3.0
439.32437	0.9
441.33789	24.4
442.34119	2.7
467.31635	2.5
468.31769	0.7
485.32806	100.0
486.33066	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.4
57.41639	0.4
57.41932	0.3
59.01387	1.9
60.82653	0.3
69.30164	1.3
69.30584	0.7
71.01380	0.5
71.05011	0.5
72.49801	0.4
81.35757	0.3
83.05015	0.5
85.02953	0.9
94.30190	0.3
97.06578	0.5
97.74438	0.3
99.04517	0.5
125.62727	0.3
162.99333	0.3
180.59354	0.3
299.97321	0.4
351.30707	1.7
363.30737	0.8
367.29947	0.5
369.31683	0.9
379.33841	0.9
395.33258	0.8
423.32745	3.9
424.33044	0.5
439.32248	0.4
441.33749	31.6
442.34140	3.8
467.31754	6.1
468.31729	1.1
485.32755	100.0
486.33127	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04271	0.5
69.09676	3.0
69.10105	2.3
71.98878	0.6
75.67645	0.5
80.39472	0.6
85.42512	0.6
95.20895	0.5
97.06620	0.6
111.92819	0.5
118.29588	0.5
138.58963	0.5
286.95602	0.5
366.85815	0.6
405.31458	0.8
407.29391	1.0
423.32712	18.7
424.33090	2.4
441.33798	10.9
442.34082	1.2
449.30521	2.0
467.31738	7.5
468.32028	1.0
485.32745	100.0
486.33154	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07922	0.6
52.71187	0.5
71.01384	0.6
71.05022	0.7
71.32259	0.7
71.32909	0.5
87.00883	0.7
99.04530	38.7
124.48632	0.6
289.91571	0.5
367.29651	0.7
385.27469	21.8
386.27875	2.4
405.31628	1.3
423.32745	3.3
441.33957	0.9
455.31747	1.7
467.31799	1.7
485.32776	100.0
486.26407	1.0
486.33136	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
63.43496	0.6
69.09966	5.8
71.01379	1.6
73.07905	0.6
80.04794	0.6
96.65658	0.6
115.63946	0.7
117.27757	0.6
120.79608	0.6
123.41774	0.6
143.49934	0.6
149.61311	0.6
258.34143	0.7
277.69153	0.7
329.24948	1.1
365.28598	1.9
371.26080	2.0
377.28458	1.1
395.29407	1.8
423.32678	2.7
441.33762	22.9
442.34000	2.9
467.31769	6.1
468.32318	0.9
485.32742	100.0
486.33066	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03226	0.3
57.03453	3.1
71.01387	8.2
97.43950	0.3
98.21719	0.6
112.17560	0.3
129.14812	0.3
218.98326	0.3
284.36444	0.3
383.29587	0.8
407.29532	0.3
409.27625	0.7
423.32834	2.3
427.28604	1.7
441.33746	2.9
449.30621	0.5
467.31781	0.7
485.32733	100.0
486.33112	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81875	0.7
53.29921	0.8
55.48361	0.8
59.01379	0.7
59.26018	0.7
65.20746	0.7
68.43533	0.7
69.11449	4.0
69.11853	2.0
71.01371	3.2
71.05016	2.3
82.69690	0.7
119.57402	0.7
126.13417	0.9
130.94089	0.9
142.85977	0.8
149.32410	0.8
157.73865	0.8
219.94704	0.8
256.23727	1.6
257.23981	1.8
267.97314	0.8
371.24820	0.9
405.31973	1.2
411.32883	1.0
423.32706	41.9
424.33047	5.0
441.33710	9.1
442.34451	1.4
449.30923	1.3
455.31757	1.8
467.31659	35.8
468.31918	5.0
485.32745	100.0
486.33154	12.5
498.31137	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03227	0.4
57.03452	4.8
60.29107	0.4
69.16441	1.1
69.16854	2.7
89.76522	0.4
109.50850	0.4
135.21602	0.4
139.92474	0.4
161.24684	0.4
173.98012	0.4
200.34970	0.4
383.29681	2.0
427.28751	1.0
441.33557	0.8
446.16577	0.4
467.31836	1.0
485.32733	100.0
486.33093	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3276
Annotation	Wilforic acid E
Peak:m/z	Relative Intensity
53.64676	4.5
71.31145	6.1
96.96026	6.2
108.36780	5.2
109.53784	5.3
130.65741	5.7
141.49437	5.3
174.71355	6.0
305.22861	5.5
337.21683	7.6
441.33844	22.2
467.31400	11.5
485.32687	100.0
486.33047	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05864	0.4
57.03449	2.7
70.92966	0.5
71.01389	1.2
73.00854	0.5
84.62103	0.4
87.45393	0.6
92.34509	0.4
99.04525	3.2
129.13152	0.5
143.84343	0.4
153.12843	0.7
158.45381	0.5
285.22339	0.8
310.96634	0.5
311.23840	1.6
327.23608	0.5
329.21271	1.3
343.07968	0.5
345.24399	1.7
365.28668	0.7
367.26416	1.4
383.29294	1.0
397.27255	1.1
407.29004	0.7
409.27423	0.8
413.30862	3.3
423.32803	1.1
425.30591	11.5
426.31033	1.2
427.27728	1.3
441.33807	12.8
442.34119	1.9
455.31693	1.7
467.31708	2.1
468.32748	0.6
485.32748	100.0
486.33124	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16088	0.5
67.05513	0.9
69.27407	4.7
71.05015	0.8
85.02953	6.3
98.21763	1.0
143.89899	0.5
258.52344	0.5
324.18573	0.6
334.16522	0.5
399.29013	5.3
400.29007	0.7
407.29581	0.8
423.32678	6.9
424.33319	0.8
441.33801	3.5
467.31677	14.9
468.32132	1.2
485.32748	100.0
486.33060	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3276
Annotation	Wilforic acid E
Peak:m/z	Relative Intensity
57.03438	0.8
69.12859	2.3
69.13284	1.7
83.05039	1.0
85.02965	0.9
89.67536	0.4
98.22583	0.9
99.04527	100.0
100.04862	1.8
127.04025	5.4
139.07642	2.6
148.34995	0.5
197.49969	0.5
280.56708	0.5
332.59964	0.5
395.26083	0.9
396.27072	0.4
396.76083	0.5
423.25693	0.6
425.30716	1.2
434.89371	0.5
441.33859	1.8
442.33987	0.4
467.24518	1.0
485.26819	0.8
485.32956	22.1
486.26999	0.5
486.33154	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	2.2
77.29216	2.3
99.04532	95.9
132.29352	2.5
147.35390	2.3
156.54541	2.1
167.39879	2.1
195.10199	2.6
199.69670	2.1
257.04016	2.0
262.67175	2.3
268.09937	2.2
273.18634	7.8
289.21774	6.7
423.32782	35.3
424.32996	3.0
436.70013	2.3
455.31723	2.7
467.31693	13.5
485.32785	100.0
486.33273	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.329
Annotation	Unknow
Peak:m/z	Relative Intensity
86.50922	0.6
87.00878	1.0
99.64861	0.6
240.07756	0.7
255.23305	2.2
256.23645	1.7
257.23682	1.2
383.29654	2.2
423.32407	1.4
425.30692	3.0
439.31909	2.2
441.33719	22.6
441.39651	1.4
442.34155	2.6
467.31760	1.4
484.25418	0.8
485.32748	100.0
486.33047	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32210	0.5
53.95698	0.5
55.24161	0.5
59.62947	0.5
69.03452	0.8
70.92359	0.6
71.01389	2.8
71.05028	30.9
74.55417	0.5
83.05042	1.1
96.96121	0.6
123.08224	0.7
135.08188	0.9
145.01689	0.5
145.91933	0.6
198.46269	0.5
199.10770	0.7
202.16882	0.5
204.09331	0.6
215.14473	0.8
231.17569	1.2
245.19061	2.7
261.22253	2.4
305.21188	7.7
306.21765	0.6
317.24908	0.7
327.19119	0.6
338.11606	0.6
413.34192	0.7
455.35333	6.2
485.36511	100.0
486.36823	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.364
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92239	0.8
73.00214	0.4
95.65714	0.5
104.06808	0.5
121.73164	0.4
124.43690	0.5
133.71867	0.4
164.38527	0.5
182.71992	0.4
210.13429	0.4
229.40984	0.5
248.78073	0.5
260.51044	0.6
425.34357	1.1
441.37607	0.7
459.65570	0.5
467.35345	10.0
468.35699	1.2
485.36420	100.0
486.36795	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29695	0.9
69.30099	3.5
71.87543	0.5
76.10520	0.6
77.88464	0.6
79.29884	0.6
96.46193	0.7
96.80465	0.5
123.74918	0.5
153.15961	0.5
249.24983	0.6
289.52499	0.6
343.99536	0.5
407.13870	0.6
413.34137	0.6
425.34229	2.4
460.87180	0.7
467.35324	19.0
468.35562	2.1
485.36417	100.0
486.36829	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49134	1.0
58.67739	1.1
69.12536	2.0
69.12940	8.7
80.39355	1.2
131.46005	1.1
153.37926	1.2
165.05540	1.3
302.70514	1.2
330.57169	1.2
336.06177	1.1
356.84811	1.4
447.34869	4.1
449.35376	1.4
453.33423	1.8
467.35300	15.1
468.35217	1.9
485.36404	100.0
486.36765	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81337	6.3
57.03448	7.1
59.01384	100.0
60.34422	6.7
61.98831	79.3
62.88695	7.3
69.26161	49.7
71.01381	44.1
73.02944	11.5
75.17765	6.3
78.59893	7.5
82.09786	7.4
85.02966	25.0
89.02448	78.8
91.29293	6.2
101.02452	42.1
104.85969	6.5
113.02482	22.1
113.06081	34.6
119.03530	22.9
125.02459	7.9
131.03491	49.1
133.59822	6.5
134.86568	6.6
143.03532	8.6
149.04590	15.5
161.04675	7.5
179.05676	23.5
191.05635	12.3
196.34087	6.3
265.14520	20.0
311.14923	19.9
443.19308	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37280	0.4
53.32328	0.4
59.01396	0.5
61.98834	100.0
65.23544	0.4
66.23118	0.5
68.11646	0.3
91.45938	0.4
109.02956	0.6
123.04528	0.4
137.57747	0.4
163.88440	0.5
167.76433	0.5
244.13165	0.5
289.07272	0.9
301.07489	0.8
325.90350	0.4
451.14297	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56863	0.7
59.01383	2.3
61.98836	100.0
71.01381	1.1
101.16264	0.7
103.88002	0.7
279.29129	0.7
291.18268	0.7
292.18573	2.1
294.19089	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00438	0.9
55.18781	1.1
59.01387	9.9
59.38261	1.2
60.20439	1.2
61.98835	100.0
71.01383	3.5
71.31035	1.5
82.77451	1.0
85.02959	1.7
89.02454	2.8
94.40601	1.1
101.02464	2.7
113.02484	1.5
119.03442	1.3
131.03517	1.2
133.04874	1.2
151.05113	1.1
179.05673	1.1
191.05579	3.0
211.05270	1.3
221.42110	1.2
235.13339	1.3
265.14407	2.8
364.76273	1.2
418.87222	1.4
426.23544	2.9
455.09329	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01669	5.6
52.91713	6.9
68.03283	5.3
120.14661	6.4
158.79642	6.3
174.21483	6.1
260.11633	6.9
275.20227	9.1
291.23282	6.9
354.06839	6.7
409.97510	6.2
443.35352	8.0
486.32944	15.0
487.28592	9.0
487.34656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	6.5
59.01384	93.3
61.98829	31.3
71.01379	15.8
71.30446	9.9
73.02940	9.6
87.04498	12.2
89.02447	11.6
95.05059	4.5
101.02467	6.2
102.77515	4.0
108.98212	4.2
109.02966	21.8
119.03481	6.7
123.04504	8.6
125.02453	11.5
133.02931	4.9
151.03987	8.7
161.02417	9.8
161.04594	5.1
162.03259	5.4
163.03935	5.2
163.11328	5.7
164.04764	11.6
176.19844	4.9
177.01939	24.7
179.07103	12.2
189.01968	26.1
190.02719	10.4
191.03510	5.2
216.00574	5.8
217.01459	12.8
219.02974	8.3
221.59050	4.4
225.28372	4.2
234.67021	4.6
247.13475	8.3
265.14447	100.0
266.14780	6.1
281.04462	14.7
299.05582	10.6
340.93283	4.6
341.06635	83.7
442.11789	5.9
449.08728	5.3
451.10364	31.6
487.29871	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53365	1.6
68.96026	13.1
83.01385	2.1
83.11319	1.6
93.58768	1.8
95.76884	1.7
97.02963	3.1
101.44463	1.5
109.02976	15.9
123.04522	8.3
125.02449	13.8
137.02457	18.4
139.04047	2.7
149.02463	3.7
151.04051	5.5
161.02480	8.1
161.06081	4.0
163.04048	2.6
165.01912	4.6
167.97069	1.5
175.04027	2.5
179.03549	4.7
187.03957	2.0
201.05333	1.8
203.07103	7.6
205.05090	6.4
245.08234	16.7
289.07196	100.0
290.07626	6.7
299.07608	2.7
312.25085	2.2
442.81534	1.6
451.12418	23.4
452.12628	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.3
69.33819	4.7
69.34212	11.6
71.01381	5.7
79.86223	1.9
89.02444	5.9
93.03441	2.6
98.21833	2.2
101.02478	2.4
109.02970	3.5
113.02463	2.5
118.11083	1.9
119.05037	95.3
120.05422	1.8
125.02451	7.7
132.04575	4.6
134.03760	4.1
135.04550	2.3
145.02939	5.1
159.89809	1.7
161.02530	2.0
163.04025	100.0
164.04358	4.2
167.73201	1.7
173.04529	3.3
179.03534	2.6
193.05121	3.1
205.04987	2.2
227.06966	2.1
241.74286	1.8
245.08250	2.4
289.07153	6.3
294.09589	2.0
325.09198	13.0
331.08044	3.3
489.95325	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51976	0.5
55.01877	1.4
57.03422	1.1
58.00597	1.2
59.01382	14.4
60.05519	0.5
65.03960	0.9
69.03456	1.2
70.59536	1.7
70.59927	0.5
71.01387	12.4
71.05010	0.7
72.25833	0.6
72.99323	0.9
73.02953	22.0
81.03458	3.5
83.05023	8.4
85.02950	5.8
89.02454	15.2
90.02737	0.6
93.03466	58.8
93.34344	0.5
94.03762	1.3
95.01397	0.9
99.00883	6.6
99.03928	0.9
99.04528	6.4
101.02451	8.9
105.11874	0.5
109.02966	1.1
111.04529	24.3
113.02453	4.1
119.03494	7.0
119.57531	0.6
128.03548	0.6
129.01956	2.8
131.03455	0.6
137.02452	16.9
143.03510	5.5
145.06218	3.4
149.04503	0.7
151.06160	5.1
155.03503	11.2
161.04605	2.8
173.04556	100.0
174.04970	2.9
179.05608	12.2
191.05594	2.0
313.11398	37.7
314.11798	1.6
324.71048	0.8
486.64514	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	78.2
60.01725	1.7
61.98819	4.4
69.47831	4.2
69.48258	4.3
71.01389	23.8
73.02957	1.7
78.95907	1.5
83.01363	1.3
85.02952	3.1
87.00880	10.2
89.02453	25.1
93.03459	3.5
98.21802	1.7
98.22388	2.6
99.00895	1.3
101.00961	2.9
101.02438	8.5
102.98872	1.5
113.00966	1.5
113.02462	3.9
117.00455	2.7
119.05040	2.2
125.00962	1.4
125.02406	3.7
129.00435	1.6
131.03525	10.3
133.05077	100.0
134.05370	1.4
145.02992	1.4
149.04587	16.5
151.04007	1.9
157.03586	4.5
159.01495	2.2
159.03339	2.2
163.04048	2.5
173.04556	4.6
176.62758	1.3
187.01028	1.3
191.05658	9.8
201.02570	54.4
202.02715	14.2
202.98735	2.6
203.02271	23.3
222.99501	8.2
241.00542	3.1
243.53148	1.3
245.08163	1.4
250.98997	2.0
265.04279	1.7
283.01492	1.5
295.13913	2.4
343.03763	12.6
344.03821	4.8
344.99948	1.2
345.03577	23.5
346.03647	1.8
397.10019	3.5
409.09845	3.6
427.09598	27.2
427.18356	2.3
428.09705	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.7
59.01382	100.0
61.98837	21.5
69.03461	1.8
69.97666	7.6
71.01387	44.8
73.02952	19.1
82.39728	1.9
83.01411	10.3
85.02950	19.0
87.00889	5.8
89.02444	26.7
95.01428	3.7
97.02956	3.1
99.00897	5.1
101.02449	38.6
101.99244	1.8
113.02457	27.8
119.03516	16.2
125.02425	5.3
129.26357	2.1
131.03535	8.0
137.02409	2.4
143.03508	9.8
149.04587	3.8
151.00392	3.4
159.03058	3.2
161.04568	23.1
179.05652	10.7
203.05608	11.8
217.55608	2.0
221.06723	20.0
262.78870	1.8
263.07748	20.5
265.14478	19.5
283.11783	4.1
305.08972	2.3
321.07690	2.3
445.17154	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35611	0.2
56.18625	0.3
59.01383	2.9
61.98832	0.8
65.13258	0.2
69.84963	0.5
69.85352	0.5
71.01367	0.9
73.02950	0.3
80.37691	0.2
82.28690	0.2
85.02972	0.3
89.02459	0.8
89.26931	0.2
97.02969	0.3
101.02419	1.2
103.04022	0.4
110.13293	0.2
113.02506	0.6
119.03519	0.5
122.48642	0.2
125.02469	0.6
137.02460	1.6
137.56825	0.2
161.08060	0.2
163.04028	2.1
163.06120	0.3
164.04800	100.0
165.05130	3.4
179.07143	94.2
180.07495	4.1
203.14455	0.4
247.13434	1.3
265.14441	1.7
266.14813	0.3
271.83405	0.2
302.04660	0.2
378.69876	0.2
399.99396	0.3
440.30087	0.2
487.17999	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1954
Annotation	Terretonin
Peak:m/z	Relative Intensity
55.42438	0.6
57.03416	0.7
59.01378	3.7
61.98839	9.3
71.01384	1.2
71.32140	0.9
73.02949	0.8
78.95914	27.0
80.02676	1.8
81.03461	2.2
82.35117	0.5
83.05045	8.9
84.02172	2.7
85.02898	0.7
93.03461	0.7
94.68143	0.5
95.05062	0.7
95.45512	0.6
96.96980	1.6
109.02874	0.6
109.06595	0.8
121.02990	1.2
125.02489	1.1
125.06076	1.3
134.03745	1.3
135.08192	1.3
151.04065	0.7
152.99593	34.7
163.11308	5.6
165.05551	2.9
165.12857	3.8
171.00697	3.1
191.10760	2.1
209.11844	100.0
210.12152	5.2
225.07748	3.0
227.03323	3.1
227.10687	1.1
227.12907	17.6
231.10147	0.7
245.04247	1.3
257.96091	0.6
259.15390	0.7
259.73758	0.6
265.14557	1.0
363.12369	0.8
387.13004	1.0
395.14920	1.1
455.16934	20.1
456.17401	1.9
487.19531	68.9
488.19714	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22935	4.6
57.03436	5.5
59.01386	100.0
61.98818	21.6
71.01382	29.6
73.02954	7.3
79.95708	5.2
80.96525	8.6
83.01358	4.5
85.02972	8.7
87.00874	7.6
89.02447	25.1
89.84624	4.5
94.46448	4.7
101.02446	14.0
113.02459	15.6
119.03498	14.3
125.02462	11.6
161.04552	11.8
167.03555	6.3
179.05600	5.7
179.07181	7.1
221.01215	13.8
247.13246	7.1
265.14484	88.9
279.15979	5.7
307.15414	8.4
325.27448	5.0
345.99597	5.2
351.41202	5.5
427.19867	46.7
467.55017	5.4
487.14896	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	94.4
61.98837	50.2
69.09924	93.2
71.01389	56.4
73.02937	14.5
85.02944	15.2
89.02431	23.8
95.05056	9.3
96.87122	8.1
101.02440	25.1
109.02986	11.3
111.35056	9.0
113.02483	14.0
115.00369	9.7
123.04545	12.2
125.02422	27.0
134.03740	14.2
143.03534	8.5
149.06055	9.5
149.09724	15.1
173.04607	23.1
188.11861	7.6
189.78423	10.2
191.05576	15.8
214.92850	7.9
218.22006	8.8
245.60405	10.0
265.14456	32.9
295.10938	21.7
313.11948	18.0
358.43787	8.6
371.12521	10.7
451.25571	86.3
487.23221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2322
Annotation	Tiegusanin B
Peak:m/z	Relative Intensity
59.01128	3.9
59.01367	24.0
69.61478	26.7
71.01378	12.0
73.02940	11.0
75.10009	4.5
85.02974	4.6
85.19694	4.2
89.02453	11.4
93.03506	5.1
93.33253	4.5
101.02485	5.0
113.02451	6.5
161.04544	4.6
179.05707	4.8
202.21825	4.3
262.50980	4.1
289.20599	5.2
365.32880	4.6
451.25616	45.3
452.26114	5.2
487.23209	100.0
488.23419	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01089	6.1
59.01384	100.0
60.26912	2.4
61.98833	11.0
71.32319	4.4
72.99310	5.2
73.02943	4.7
79.22260	3.3
87.00858	2.9
93.03458	8.6
110.90623	2.5
111.04515	2.9
123.04571	3.2
124.01666	9.1
125.02486	3.0
133.02960	21.4
134.03755	11.6
135.04517	3.1
137.02455	5.9
139.04041	3.7
139.22159	2.5
147.04524	6.8
151.07602	3.3
155.03479	5.1
157.95348	2.8
161.06133	6.7
173.04564	26.1
178.02753	16.3
231.10260	5.4
234.18468	2.8
261.55383	2.8
275.09204	13.8
278.15341	2.9
299.31638	2.8
335.20126	6.9
365.21115	12.9
397.20160	18.4
409.20419	11.2
427.21448	23.7
449.14395	3.7
487.23746	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
55.80569	0.9
57.03446	3.8
58.00590	2.4
59.01382	86.8
59.94947	0.9
60.01687	1.1
61.98815	4.2
69.03688	1.0
69.04015	11.2
71.01386	38.2
71.05026	2.0
72.97607	1.0
72.99310	3.5
73.02947	2.2
83.01379	2.1
83.05029	1.8
83.42851	1.0
85.02952	9.8
87.00864	2.3
89.01899	1.7
89.02454	34.7
92.18555	1.0
95.01394	2.3
96.02818	1.1
99.08152	1.3
101.02438	24.1
109.02968	1.4
111.08139	1.3
113.02467	14.6
115.04021	51.3
116.04288	1.3
117.07051	1.0
119.03516	16.4
125.02461	1.7
131.03477	1.6
133.10275	7.0
134.03722	1.4
143.03477	1.3
147.11786	3.5
149.04573	1.4
151.96024	1.0
161.04602	1.7
164.76537	1.1
173.08203	15.3
173.13359	6.5
174.08546	1.3
179.05600	2.8
191.14410	1.3
201.16481	1.8
227.18073	6.1
231.10179	2.4
238.21759	1.0
245.15424	1.9
245.19099	1.7
263.16559	3.5
265.14441	3.0
271.17004	4.0
289.18085	21.7
290.18616	1.4
307.19180	58.6
308.19580	6.3
325.07169	1.2
325.20218	1.5
341.06772	1.3
436.91272	1.1
469.24615	2.7
487.25476	100.0
488.25735	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.3
58.00594	1.4
59.01384	27.4
61.98830	3.4
66.63921	0.6
69.01111	7.0
71.01386	15.5
71.05012	0.6
72.99308	3.3
73.02942	0.8
83.01392	2.0
83.05016	0.7
85.02955	17.3
87.00903	0.7
89.02461	11.0
95.01398	1.5
98.21797	1.2
99.04510	1.2
101.02446	7.6
101.06081	2.7
107.08673	0.8
108.54793	0.5
109.03000	0.7
111.04497	0.9
113.02446	4.2
119.03498	3.1
121.10244	2.3
125.02454	0.8
131.03517	11.1
147.11809	2.9
171.78500	0.7
173.04543	1.1
175.14937	3.5
193.06709	0.9
239.12820	0.7
265.14441	0.8
275.09213	1.4
281.72818	0.6
289.18176	1.5
307.19165	47.2
308.19476	2.3
325.20294	0.9
386.62796	0.7
469.24438	0.9
487.16644	4.2
487.25513	100.0
488.18726	0.9
488.25787	9.8
505.78171	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2704
Annotation	Daturolactone 5
Peak:m/z	Relative Intensity
57.03190	1.3
57.03456	25.1
59.01379	0.9
61.98825	0.7
68.39557	0.7
69.03469	1.1
71.05025	1.2
72.65371	0.8
81.03460	2.2
83.05033	3.0
87.00883	23.9
95.05053	6.4
97.02953	1.9
97.06600	8.9
98.03731	1.0
99.04534	3.9
99.08164	0.8
109.06634	1.0
121.06563	1.7
125.06078	3.1
127.04089	0.9
138.06870	1.3
146.96349	0.8
160.84235	2.4
197.12996	0.8
228.26347	0.9
257.19040	3.8
271.20697	2.1
297.22171	1.4
299.20187	17.7
300.20511	1.4
321.22479	0.9
323.19971	1.0
331.19135	2.7
339.23315	12.9
340.23712	2.1
343.19263	0.9
379.03986	0.9
379.26376	2.3
380.18307	2.1
425.26791	1.3
443.28043	74.7
444.28381	11.4
455.83908	0.7
487.27029	100.0
487.33481	4.1
488.27390	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.343
Annotation	Euscaphic acid
Peak:m/z	Relative Intensity
53.24251	0.4
70.39574	0.3
70.63908	0.5
70.64236	0.5
72.99306	1.1
88.53020	0.4
100.01828	0.4
125.09726	0.4
355.26379	1.4
379.30170	1.2
395.33035	2.8
397.30649	0.6
397.34952	4.9
398.35202	0.5
423.32770	3.0
424.32626	0.5
425.34415	1.4
441.27750	0.6
441.33755	10.3
442.34012	1.1
443.35345	8.4
444.35895	0.9
469.33261	18.6
470.33572	3.0
487.34320	100.0
488.27573	0.6
488.34625	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3435
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
50.62994	1.7
57.03436	5.4
60.45277	1.9
64.73585	1.6
70.19939	3.7
71.01395	12.8
90.68538	1.6
98.22389	2.2
106.42377	1.7
218.73543	1.9
238.42029	1.8
280.52441	1.7
292.79858	2.0
385.31201	3.3
413.40372	1.8
415.32166	3.7
443.35165	14.9
444.35721	2.5
469.33316	8.1
487.34320	100.0
488.34641	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3431
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
52.21144	0.6
57.03458	5.1
57.84652	0.6
70.94574	1.0
104.14362	0.6
104.58733	0.6
112.16419	0.6
118.98141	0.7
195.25623	0.7
341.48602	0.7
385.31180	2.0
425.34290	2.3
443.35349	18.3
444.35623	2.2
469.33340	5.5
470.33743	1.5
487.34332	100.0
488.27655	0.9
488.34708	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3434
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
55.35707	3.6
64.45560	3.4
69.17172	16.5
69.17596	14.4
89.32626	3.6
103.00317	3.5
109.69444	3.7
144.47397	4.3
160.26190	3.4
189.63052	3.6
212.05315	3.8
397.35040	7.8
441.33768	6.4
443.35342	8.8
469.33386	11.8
487.34372	100.0
488.34598	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3435
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
52.77889	1.5
56.85642	1.2
69.45475	9.1
98.22504	2.0
182.08710	1.4
313.41949	1.4
368.32224	1.4
381.07062	1.4
397.34616	3.5
441.33978	1.8
443.35403	3.5
469.33041	3.2
487.34296	100.0
488.34702	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68819	0.2
55.37492	0.3
57.03453	0.4
59.01377	0.9
69.08115	2.5
71.01387	34.6
72.01701	0.5
73.02940	0.3
73.59899	0.2
87.00881	9.6
89.02441	2.3
90.67320	0.3
93.33415	0.2
93.61324	0.2
98.22559	0.5
116.42069	0.3
142.70723	0.3
272.54575	0.3
360.26126	0.3
393.52194	0.3
397.31235	1.0
411.32648	0.4
413.30597	0.8
425.33868	0.6
441.33600	1.1
443.35205	1.6
457.33078	0.3
469.32761	0.5
487.34302	100.0
488.34680	12.6
488.40164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3434
Annotation	Euscaphic acid
Peak:m/z	Relative Intensity
51.35843	0.5
51.45496	0.5
72.99318	2.7
92.13818	0.5
98.22523	1.6
113.09940	0.5
282.35776	0.6
379.33701	1.7
397.34686	6.4
398.34824	1.5
423.32852	2.5
425.34390	2.1
437.21732	0.6
441.33731	7.7
442.34131	0.8
443.35297	11.6
444.35776	2.2
469.33325	8.3
487.34335	100.0
488.34735	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.7
61.98843	0.7
70.86513	1.4
73.02946	0.9
93.28783	0.6
99.04534	0.8
106.28033	0.7
120.74189	0.6
242.41119	0.7
321.67822	0.7
330.98151	0.8
373.27643	0.8
383.48999	0.7
385.31128	1.9
425.34299	1.9
443.35278	3.8
451.32263	1.9
469.33206	18.5
470.33591	2.1
487.34308	100.0
488.34702	12.4
509.92108	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.343
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
58.00592	0.8
59.01371	0.7
69.12260	3.5
69.12661	1.0
69.91756	0.5
71.05032	0.9
83.05058	0.8
183.52660	0.6
250.02382	0.6
345.17123	1.1
395.14154	0.5
427.32297	1.7
437.30676	0.8
467.31833	2.4
469.33295	12.6
470.33652	1.9
487.34402	100.0
488.34677	13.5
488.41376	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.5
59.01372	1.5
59.47822	0.8
65.90337	0.9
69.46535	1.7
69.46942	4.4
76.82057	0.8
80.16779	0.9
83.05017	3.2
87.00884	100.0
88.01228	1.0
93.34172	1.0
147.06555	0.9
198.11790	0.9
226.61005	0.9
230.50620	0.8
268.70917	0.9
311.79926	1.2
406.72092	1.1
425.34485	7.0
443.35229	6.9
469.33136	9.9
470.34113	1.5
478.30081	1.0
487.34259	59.3
488.34717	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3797
Annotation	Balsaminol B
Peak:m/z	Relative Intensity
51.84249	0.8
54.19099	0.8
55.58783	0.8
57.03452	5.9
58.69686	0.9
59.01376	1.9
64.01955	0.9
66.66204	0.9
71.01381	2.0
72.75310	0.9
73.02954	10.3
83.05003	1.6
103.58471	0.8
138.80515	0.9
218.28474	1.0
318.58160	1.0
383.33167	3.3
385.31082	3.7
429.33838	13.2
430.33987	1.6
441.33289	1.4
443.35184	6.0
454.27603	1.0
457.36795	1.3
469.32639	1.3
487.33524	32.7
487.37857	100.0
488.38156	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17770	0.4
59.01375	3.6
61.98835	100.0
67.62810	0.5
71.01390	1.0
71.30802	0.8
78.95905	3.1
83.05033	0.8
85.02961	0.5
89.02450	0.6
96.96986	0.6
101.02462	1.0
109.35452	0.4
113.02513	0.5
118.53231	0.5
119.03522	0.5
122.21317	0.5
142.97641	0.5
152.99591	3.1
153.99969	0.6
191.05812	0.8
209.11845	5.2
210.12218	7.1
211.12344	0.7
227.12759	0.7
228.13249	1.6
265.14474	0.7
267.16159	1.9
429.20969	0.6
456.17361	2.9
488.19836	8.5
488.26038	0.7
489.20004	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84068	7.5
56.28955	6.5
57.46674	7.5
59.01380	100.0
61.98823	42.8
71.01392	44.6
71.29666	13.5
73.02933	9.4
80.21715	7.7
85.02975	17.6
89.02448	23.7
101.02453	30.9
113.02455	21.5
119.03490	17.0
125.02431	11.1
128.67386	6.8
161.04530	10.3
179.05569	15.2
180.04279	17.4
195.06659	15.8
221.06705	17.6
253.02696	7.3
256.38379	7.8
263.07693	11.0
265.14383	14.8
266.14920	16.6
267.15982	22.6
270.27448	8.2
428.20212	15.1
445.16934	28.4
464.03397	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	7.0
59.01088	6.6
59.01381	100.0
61.98834	26.7
71.01387	80.6
72.99313	6.5
73.02942	15.3
83.01404	6.1
85.02946	26.7
89.02435	46.6
93.03446	11.9
95.01386	7.7
99.00895	8.8
99.08158	5.9
101.02452	47.4
110.07558	4.3
113.02460	27.1
114.26122	3.8
114.37948	4.1
115.04018	55.5
119.03495	13.4
131.03534	38.0
145.37766	4.4
149.04527	9.5
158.75658	3.8
161.04575	32.1
172.05373	4.2
173.04588	31.0
174.04903	16.5
175.14940	7.4
179.05516	4.1
187.07661	12.0
188.07957	11.4
189.07925	3.9
191.05653	14.4
198.03412	3.6
200.92932	4.1
202.06172	4.3
203.06624	6.4
227.03426	6.2
229.19740	6.4
231.10172	6.4
232.10484	18.8
255.03001	6.2
267.16052	9.4
273.18747	4.1
275.09308	5.5
276.09631	7.6
291.19708	8.0
306.42444	3.9
309.20737	80.0
313.16550	79.7
314.16965	7.2
400.05927	4.3
445.20749	60.1
488.29010	6.9
489.26999	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22268	0.5
59.01382	3.5
61.98834	100.0
69.81839	1.0
69.82233	1.5
71.01402	1.7
72.01305	0.5
73.02988	0.5
81.36166	0.5
87.00885	0.6
89.02451	2.1
91.52161	0.5
101.02488	1.1
102.68399	0.5
106.21101	0.5
110.28896	0.5
113.02473	0.9
117.54811	0.5
119.15076	0.6
125.02456	0.7
149.04614	0.8
175.79170	0.5
191.05641	0.7
267.16162	1.6
371.08752	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63847	0.4
58.40930	0.4
59.01381	7.2
59.92392	0.5
61.98834	100.0
66.11302	0.4
69.28484	3.8
71.01392	5.3
72.29626	0.4
73.02955	1.3
83.05036	1.1
85.02977	2.1
87.00922	0.6
89.02452	5.9
89.02880	0.5
99.00908	1.1
101.02456	3.1
102.64546	0.5
112.28606	0.5
113.02467	3.5
113.03878	0.4
119.03491	1.2
125.02466	1.1
127.04060	4.9
131.03558	1.7
141.05586	0.9
149.04568	2.5
159.06641	5.2
161.04510	2.6
175.04074	0.6
191.05695	1.8
199.06203	0.9
232.31454	0.6
233.06712	0.6
246.60258	0.5
289.97208	0.4
357.15646	2.4
389.11887	0.5
429.21173	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.0
55.90592	1.3
57.03441	3.2
59.01384	73.4
61.98814	1.7
70.07697	1.3
71.01389	48.9
72.99309	1.5
73.02946	9.3
83.01410	6.0
85.02960	15.4
86.67495	1.5
87.00877	3.2
89.02454	47.9
93.03451	1.6
93.79596	1.2
95.01396	2.9
97.02972	1.7
98.22537	3.3
99.00877	3.5
101.02448	39.7
102.02800	2.1
106.04295	1.3
108.31151	1.4
113.02464	21.3
119.03511	14.4
119.05035	2.9
120.01250	3.5
121.02976	3.1
123.44862	1.4
125.02470	3.0
131.03537	5.6
133.06544	1.7
135.04596	1.7
143.03514	4.6
147.04541	12.2
161.04587	11.0
161.05966	2.1
162.03249	3.6
163.04036	1.7
165.09212	40.0
166.06360	14.8
166.09526	2.5
176.83104	1.6
177.05576	5.5
179.05623	15.9
181.08685	12.0
191.05653	5.3
221.06718	3.3
299.47534	1.6
327.14499	100.0
328.14859	8.9
429.21313	2.7
489.15915	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53957	1.3
54.63531	1.7
55.01879	1.7
57.03448	7.9
58.00588	2.9
59.01383	80.3
61.19308	1.3
61.98836	67.2
64.23537	1.4
69.03700	5.1
69.04115	9.5
71.01389	67.5
72.99295	2.6
73.02953	5.4
76.52957	1.4
83.01396	4.6
85.02961	47.1
85.03487	2.5
86.03257	2.4
87.00876	2.5
89.02453	50.3
93.03486	2.8
95.01395	17.3
97.03001	2.8
99.00891	5.1
99.70982	1.4
101.02445	25.7
113.02463	100.0
114.02788	2.5
119.03542	13.5
125.02463	2.5
131.02673	1.6
131.03516	10.3
143.03528	7.8
146.14288	1.6
147.04572	8.0
149.04550	5.1
161.04572	37.7
173.04495	2.8
175.87352	1.4
177.09224	2.9
179.05644	13.1
180.37595	1.8
184.89128	1.8
191.05623	10.3
193.05043	2.3
198.12144	1.6
214.17554	1.5
239.48630	1.7
267.15955	8.6
357.15640	21.5
358.10992	1.5
358.16025	3.0
368.12183	1.5
429.21338	7.7
442.65369	1.8
476.21970	1.7
489.12943	2.0
489.19684	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
57.03460	2.8
58.00601	2.5
59.01384	100.0
61.98829	1.8
69.03468	1.5
69.25743	3.2
69.26151	0.8
70.14769	0.6
71.01389	30.3
71.05044	0.5
71.34217	0.5
72.99313	3.5
73.02951	29.9
75.00879	1.0
81.03477	0.6
83.01412	1.9
83.05048	0.6
85.02454	0.5
85.02955	13.3
86.00121	1.5
87.00882	7.9
87.04511	3.8
89.02448	24.6
93.03505	0.6
95.01408	0.7
97.02978	1.1
98.21797	1.2
99.04526	1.2
101.02452	47.0
103.04022	22.1
113.02467	4.9
115.04032	6.6
119.03511	11.2
125.02444	3.3
125.85598	0.6
127.04021	1.6
131.03519	9.9
135.04597	1.8
143.03508	10.7
145.05080	6.6
161.04584	2.9
163.06134	63.1
164.06436	1.4
165.09259	1.2
179.05714	0.9
191.05679	2.3
205.07178	22.7
206.07509	0.8
249.15074	1.6
265.09274	4.2
267.16031	9.0
309.08084	0.7
339.12427	1.1
425.60770	0.6
429.17957	5.3
455.85962	0.6
474.63922	0.6
489.30972	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2266
Annotation	Lindenanolide F
Peak:m/z	Relative Intensity
57.03431	13.8
59.01375	25.9
69.10162	84.1
71.01389	21.2
81.11725	8.4
83.01441	8.4
85.02943	13.2
97.02981	7.7
99.04543	26.2
101.02447	16.4
126.55755	7.6
146.86516	9.0
161.04445	8.8
211.11241	19.2
253.08479	10.4
255.10175	15.9
331.49713	8.9
357.22931	19.0
385.16998	17.2
445.23438	13.2
458.84787	8.4
469.39603	9.6
489.22824	100.0
489.30804	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.1
58.81242	0.9
59.01384	100.0
60.01709	1.3
61.98832	5.9
65.43427	1.0
71.01389	12.4
72.99319	0.9
73.02954	11.6
75.00867	4.1
76.16887	0.9
85.02957	4.9
89.02461	7.4
97.46630	1.0
101.02448	8.9
109.02975	1.7
109.06642	0.9
113.02475	8.2
119.03495	3.8
128.30331	0.9
131.03479	1.1
137.02466	1.1
161.04572	5.6
179.05682	2.4
189.01962	3.0
191.03473	1.2
193.12366	4.5
207.13899	7.2
217.01443	1.9
223.17001	7.5
249.14943	1.6
267.16022	74.0
268.16321	3.9
309.17047	3.7
314.12537	0.9
323.16431	1.0
341.06573	4.5
379.01837	1.1
385.22501	4.7
429.21243	5.5
451.10730	1.9
489.25052	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20584	0.6
50.46093	0.7
50.49727	0.6
58.00591	1.0
59.01381	100.0
60.01719	0.9
60.18511	0.6
61.98832	3.8
69.12230	3.5
71.01389	6.3
72.09790	0.6
73.02956	8.5
75.00414	0.6
75.00885	1.3
80.24319	0.5
85.02957	1.7
89.02466	3.7
98.17764	0.6
98.22521	1.5
101.02447	3.2
112.64509	0.6
113.02492	3.9
119.03522	2.0
128.20627	0.7
161.04570	3.0
179.05612	2.6
193.12332	2.7
207.13898	5.6
221.06810	0.8
223.17041	8.5
224.17566	0.6
235.13467	2.0
255.02866	0.8
260.86734	0.6
267.16025	82.7
268.16388	6.7
309.17133	4.8
429.21240	1.8
489.30478	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75129	1.5
55.41304	1.8
55.69062	1.7
57.03447	1.7
57.73671	1.8
59.01382	100.0
59.85420	1.9
61.98821	5.8
65.03908	1.5
69.22054	6.6
69.22477	5.5
71.01385	20.7
72.99340	2.6
73.02956	10.1
83.01366	2.3
85.02947	5.5
89.02451	21.8
95.01414	2.9
101.02454	13.0
113.02467	7.5
115.04029	9.6
115.06449	1.5
117.69817	1.5
119.03508	9.1
131.03517	7.0
161.04562	5.5
179.05649	4.6
191.05588	3.7
193.12373	2.3
207.13887	4.5
223.17024	8.0
267.16031	58.8
268.16327	4.0
270.07614	1.8
309.17307	3.1
309.20682	12.6
311.15018	2.9
313.10825	6.6
325.10812	2.7
327.21765	1.9
343.17194	2.1
345.82034	2.1
363.81851	1.7
429.21176	4.1
443.19199	2.5
486.31180	2.1
489.27216	31.1
490.26917	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47634	0.4
57.03456	2.1
59.01385	100.0
60.01717	0.8
61.98837	1.4
68.24280	0.5
69.26811	1.1
69.27212	3.0
71.01395	5.0
72.99303	0.6
73.02953	1.9
79.67370	0.5
82.95392	0.8
85.02966	2.4
87.04524	13.2
89.02451	2.9
93.03478	1.3
95.01413	0.8
99.04505	0.5
101.02453	3.8
113.02472	3.6
119.03524	1.9
121.02962	0.9
131.03540	0.7
137.02467	1.1
143.03569	1.1
161.04564	2.8
181.08617	0.6
191.05605	3.7
207.13835	0.8
221.06557	0.6
222.59142	0.5
223.17117	0.7
227.14235	0.5
237.85913	0.5
265.14404	0.9
267.16028	69.5
268.16327	4.3
280.08368	0.5
281.17624	0.8
309.17093	2.9
375.01428	0.6
429.21716	4.6
430.21573	0.6
489.30939	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40729	0.7
55.01882	1.6
57.03442	2.4
58.00586	1.5
59.01380	53.0
61.98830	1.9
67.86935	0.7
71.01383	23.8
71.05016	1.9
72.99320	1.9
73.02939	3.5
74.07137	0.8
75.00854	0.8
83.01382	2.1
83.05035	0.7
83.76805	0.8
85.02951	6.0
87.00874	1.1
89.02450	17.2
95.01382	1.5
99.00867	1.1
99.08154	1.4
101.02459	14.3
109.06582	1.4
111.08180	1.7
113.02445	7.3
115.04023	28.1
119.03538	6.8
125.02460	1.0
129.09238	1.3
133.41205	0.8
153.01961	0.8
173.08188	7.3
179.05623	1.2
216.86053	0.7
265.18002	1.0
267.16025	1.5
291.19644	3.8
309.20731	46.9
310.21036	3.2
327.21759	1.0
334.89017	0.8
453.24820	2.2
471.25992	5.3
489.27066	100.0
490.27441	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95550	0.7
55.01885	1.4
57.03439	2.8
59.01386	32.9
59.64748	0.7
61.98828	1.6
69.03445	1.8
71.01387	13.3
71.05031	4.2
71.32195	1.4
72.99307	4.9
73.02963	4.8
83.01394	2.7
85.02967	7.3
86.00121	1.2
87.00906	1.3
89.02458	4.2
95.01383	1.7
99.00893	1.2
99.08163	2.6
101.02451	8.2
109.06593	1.4
111.08176	2.7
113.02450	7.9
115.04022	12.1
119.03505	1.8
129.09273	1.0
135.11743	0.9
151.44475	0.7
152.10823	0.8
155.07144	1.8
161.04584	1.0
173.08215	9.8
267.16016	22.8
268.16394	2.1
285.04184	1.0
291.19763	1.4
309.20822	2.8
327.21457	0.9
403.71701	0.8
428.59726	0.8
453.24820	4.0
471.26019	9.6
489.27106	100.0
490.27499	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55552	0.9
54.42982	0.9
57.03455	2.0
58.00583	1.6
58.48318	1.0
59.01382	57.3
61.98820	3.0
63.13607	0.8
71.01389	28.6
72.99287	2.7
73.02937	2.8
74.91488	0.9
83.01382	2.2
85.02966	6.6
87.00888	2.3
87.04505	2.9
89.02458	22.1
91.03471	0.8
95.01385	2.8
101.02447	14.9
113.02450	7.6
113.25005	0.8
119.03507	7.9
131.03502	1.5
152.60907	0.9
161.04523	1.5
171.10229	0.9
183.10234	1.4
191.05553	3.0
199.09779	0.9
201.11363	4.4
205.50859	0.9
213.26450	0.8
221.15485	12.6
223.17082	1.6
239.16502	1.0
251.16490	1.3
267.16071	2.0
273.18573	1.5
291.19550	1.6
309.20709	14.5
310.20993	1.7
311.22180	2.5
315.18024	2.9
327.21930	4.3
447.22357	3.1
485.08582	1.0
489.27097	100.0
490.27374	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85528	0.6
57.03441	1.2
58.00606	1.5
59.01385	35.9
61.98825	1.1
65.37110	0.6
69.03474	0.9
71.01389	21.4
72.99310	1.4
73.02954	2.0
75.00921	0.7
75.78509	0.6
81.55196	0.7
83.01374	1.1
85.02955	4.4
87.00877	1.5
89.02451	10.7
95.01415	1.5
95.05061	0.7
97.02973	0.8
101.02451	10.7
110.36081	0.8
113.02462	5.3
119.03510	4.9
123.04523	1.2
125.09762	1.5
126.39984	0.7
131.03510	0.8
141.17148	0.7
161.04649	1.5
177.05650	0.8
177.12927	0.8
181.12463	1.0
183.13904	2.0
185.11868	3.8
191.03531	1.2
193.12341	1.2
197.11803	2.2
209.11804	2.0
211.13414	26.3
211.15417	1.6
212.13795	1.0
221.11810	2.6
229.14369	1.8
239.12866	3.4
267.15979	1.9
285.25388	0.8
291.19589	5.7
309.20767	3.2
311.22314	2.2
315.18042	2.5
327.12292	4.0
327.21768	11.6
389.08377	0.7
413.86627	1.0
434.54187	0.8
447.22305	0.8
489.27094	100.0
490.27371	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.7
58.00596	1.6
59.01092	1.4
59.01382	26.8
61.98822	2.7
69.21082	0.8
69.21947	2.8
69.22382	3.3
71.01385	12.6
72.99298	2.2
73.02927	1.2
75.00862	3.0
83.01382	1.4
85.02962	14.1
87.96547	0.8
89.02449	9.9
95.01402	1.5
98.21765	1.6
101.02459	7.2
101.06108	1.0
113.02464	3.2
113.95361	0.7
119.03503	2.6
125.06134	1.3
128.84306	0.9
131.03506	13.5
149.13388	1.2
177.16505	3.6
211.11224	1.5
245.19147	1.0
291.19678	2.1
309.20737	42.1
310.21170	3.3
327.21820	1.6
441.30844	0.8
489.27121	100.0
490.27454	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40176	0.4
50.92616	0.4
52.43721	0.3
52.88731	0.3
54.08314	0.3
84.69327	0.4
149.48341	0.4
253.10088	0.4
283.10556	0.4
292.88220	0.4
301.87616	0.4
381.10413	0.5
407.29614	0.8
411.22809	0.5
421.31100	2.6
422.31781	0.5
441.27536	0.9
443.29526	1.2
461.30185	1.2
473.26498	1.0
475.28156	0.6
489.29895	100.0
490.30234	12.6
505.29736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25282	12.7
54.43666	14.9
70.43036	33.3
70.43381	22.2
74.15482	15.2
93.41777	15.4
98.22515	16.8
102.58550	15.7
158.41937	14.7
177.61671	17.1
275.27756	18.0
288.53329	14.3
314.36694	14.6
352.02707	16.4
389.98709	16.6
443.29373	16.3
444.95163	16.0
489.29816	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3591
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
58.00606	0.6
59.01388	1.3
59.99643	0.6
60.75695	0.5
71.01389	4.3
73.02955	20.9
78.55600	0.5
78.95915	0.9
84.26055	0.6
85.06619	0.6
89.02473	1.4
97.06596	0.6
100.73957	0.5
101.59808	0.5
114.70006	0.6
115.07653	1.0
117.95857	0.6
152.99593	1.6
170.39368	0.5
173.67245	0.6
187.06139	0.5
253.21753	2.4
371.33231	5.9
385.31128	0.6
409.34875	0.6
415.32178	9.1
416.32867	0.9
429.29962	1.6
441.34418	0.8
471.35049	4.4
489.35965	100.0
490.29190	0.5
490.36169	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40449	1.2
56.36860	1.0
59.01383	77.2
69.36511	7.7
78.01263	1.1
88.04455	1.0
98.21773	2.3
111.04523	2.5
124.33415	1.2
231.13940	1.7
339.40527	1.3
342.45413	1.3
355.31900	2.3
367.26392	3.9
384.25909	1.3
399.41010	1.3
421.30960	1.7
489.29883	100.0
490.30157	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57766	0.7
56.63889	0.7
57.03459	4.0
58.43704	0.8
59.01368	2.4
60.47989	0.7
71.30290	0.7
77.15166	0.6
77.83884	0.8
90.86939	0.6
103.40402	0.6
122.75456	0.7
136.17307	0.7
372.95547	0.9
385.34973	1.7
394.47141	0.8
431.35590	1.8
472.38379	0.8
489.39618	100.0
490.39969	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78916	0.7
57.03442	4.6
69.25096	0.8
74.47949	0.8
76.18539	0.7
98.21769	2.5
155.24420	0.9
223.38124	0.7
229.10292	1.2
297.50098	0.9
385.34891	1.6
431.35419	1.4
471.38919	1.1
489.39603	100.0
490.39935	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	22.8
61.98841	20.9
71.01385	41.4
71.30901	5.8
73.02957	14.0
75.00870	3.3
80.89851	3.3
85.02946	14.4
89.02443	18.1
93.16321	2.6
99.00890	9.3
100.52090	2.8
101.02444	32.3
113.02470	14.2
125.02448	7.8
131.03517	8.6
133.82990	2.5
149.04568	4.8
152.83846	2.3
160.84230	4.3
161.04616	20.7
174.63438	2.7
191.05708	3.6
233.06633	5.8
257.12579	2.6
293.08875	6.6
315.18115	47.4
325.36844	2.9
447.22354	100.0
448.22772	11.3
491.28342	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	32.9
61.98836	29.6
69.27978	9.2
69.28382	10.7
71.01393	33.9
73.02951	14.6
83.01374	4.1
85.02961	13.9
87.00835	4.0
89.02451	15.8
96.24143	3.3
99.00899	6.9
101.02441	28.9
107.72358	3.2
113.02464	12.7
118.95985	3.5
120.94098	3.2
131.03511	22.2
149.04529	3.4
161.04579	15.5
174.56512	3.9
191.09465	3.6
199.55804	5.0
223.09715	3.3
267.15796	4.3
268.16302	9.0
269.17639	5.3
315.18109	60.9
316.18594	4.6
447.22406	100.0
448.22662	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.95427	9.7
61.98832	95.5
68.57616	8.4
70.62421	14.8
70.62771	10.0
71.01386	77.0
73.02953	16.3
85.02954	30.5
87.04749	9.1
89.02458	78.1
96.91652	9.9
101.02436	51.4
113.02449	26.1
119.03529	24.2
119.05064	15.1
124.14700	11.0
131.03471	51.8
137.02435	21.8
149.04587	33.7
149.06079	62.3
161.04568	13.2
163.04048	15.9
179.05536	18.5
191.05690	21.0
195.57076	9.9
212.48131	10.9
312.09915	9.8
315.18137	28.3
327.12277	12.6
328.12650	54.1
447.22382	53.6
491.28589	88.3
491.46140	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.23
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92599	4.4
55.01866	7.4
57.75654	5.3
59.01386	60.1
61.98824	11.1
71.01387	72.1
73.02956	26.2
83.01379	9.3
85.02952	26.8
89.02467	37.4
99.00885	10.9
101.02464	33.8
106.20462	4.9
107.15442	4.5
113.02459	22.8
115.68147	4.6
119.03508	6.5
121.02957	16.0
125.02380	5.1
131.03488	26.3
143.15892	5.3
161.04558	17.6
165.05511	8.2
191.05626	7.1
215.00691	5.5
217.34215	5.2
229.66794	5.5
294.38455	4.8
296.10580	8.5
315.18250	28.4
359.15106	40.3
447.22363	100.0
448.22476	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.3
61.98824	0.4
62.19651	0.4
62.37761	0.3
71.01389	0.7
71.31518	0.5
71.53070	0.3
74.64964	0.3
78.95908	14.4
85.02961	0.4
95.05001	0.4
111.08162	0.3
111.80899	0.3
113.09707	0.4
122.00097	0.6
135.04414	0.4
140.01210	4.9
150.76825	0.3
152.99574	2.0
167.10791	0.6
171.00621	0.6
177.12727	0.4
179.14439	1.2
181.12392	0.6
191.05687	1.8
191.10826	0.5
192.05908	0.6
195.13904	9.9
196.03738	2.4
196.14409	0.7
205.12326	1.1
205.15953	0.4
211.13344	0.9
214.04852	6.1
223.13396	8.6
223.15601	0.5
224.13892	0.4
228.13559	0.7
231.21078	0.5
256.13174	2.0
265.21854	0.9
275.20166	4.8
284.88855	0.3
293.21240	100.0
294.21600	7.1
447.25443	1.1
452.05029	0.6
490.25757	22.6
491.25818	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	4.3
57.39764	0.3
59.01386	1.7
61.98815	0.6
71.01377	0.3
78.95911	8.1
85.06628	0.3
97.06578	0.6
98.21820	0.9
109.06612	0.4
113.09738	17.2
114.10056	0.5
135.11839	0.6
136.52144	0.3
139.11295	1.8
140.01204	3.0
141.09221	0.4
149.09749	0.6
152.99580	0.8
167.10777	2.5
171.10216	0.6
177.12885	0.9
179.10793	2.4
191.05579	0.5
195.13927	2.1
196.03783	1.2
203.42970	0.3
214.04872	4.0
249.22316	2.0
275.20071	0.7
293.21249	100.0
294.21591	7.5
435.60681	0.3
490.25800	11.1
491.25668	1.9
491.32861	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38954	2.1
53.57190	2.0
63.96245	12.9
69.10535	21.5
78.95883	3.1
79.95731	4.9
87.41678	1.9
92.88596	1.9
101.51487	2.2
109.03005	2.4
118.06632	4.1
119.05021	4.7
121.06556	4.0
121.55225	2.1
128.50838	2.4
135.04553	15.8
135.08142	2.6
137.06116	3.1
143.08990	2.7
149.06053	2.5
152.99582	4.2
164.02979	2.6
194.09738	3.0
237.11510	4.0
267.92477	2.1
278.69278	2.3
329.17822	20.6
330.18521	6.8
346.18066	33.1
347.18381	2.5
360.14182	7.5
361.16858	100.0
362.17157	8.8
490.27719	5.7
490.34506	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67596	0.5
50.80610	0.5
54.41387	0.5
57.03452	1.8
58.00576	0.8
59.01383	40.2
60.17819	0.5
60.99317	0.7
61.98836	5.3
67.01888	2.0
69.03465	1.1
69.27118	3.1
69.27529	1.0
71.01389	14.0
72.99293	1.0
73.02951	2.5
81.03481	0.6
83.01385	1.3
83.05028	1.2
85.02947	4.8
87.00886	1.4
88.98817	2.8
89.02451	14.5
93.03461	12.1
95.01400	1.1
96.79631	0.5
97.02962	1.0
98.21810	1.2
99.00885	0.9
101.02451	8.6
105.70074	0.5
109.02949	2.3
111.04483	2.8
113.02468	6.9
119.03508	5.0
120.01171	0.5
121.02920	0.8
123.04530	1.0
125.02479	3.9
129.01891	0.5
131.03510	1.0
134.03722	0.5
135.04526	1.6
137.02437	3.1
143.03482	1.8
145.03006	0.7
149.04526	0.8
151.04015	1.8
153.09306	0.7
155.03531	3.3
155.10764	0.7
158.03709	0.7
159.04497	2.8
161.04553	5.0
165.01875	0.5
167.08646	0.6
172.05081	0.5
173.04564	37.3
173.05943	1.4
174.03236	1.9
174.04852	0.9
175.03992	1.0
177.01833	0.5
179.03989	0.7
179.05647	7.3
183.04436	0.8
183.08202	1.0
183.10065	0.5
185.02496	2.3
185.06067	1.5
187.04025	1.6
191.05597	2.1
195.04495	1.9
196.05273	2.1
198.03244	0.7
199.03984	1.3
199.07637	1.0
200.01157	1.1
201.05542	1.8
209.06111	6.1
210.06776	1.7
211.04051	2.1
211.07660	30.5
212.04787	2.3
212.08023	1.4
213.05524	1.1
216.04388	0.8
217.04996	1.1
225.05553	0.7
227.03680	2.5
227.07091	3.1
229.05112	3.8
237.05518	0.7
243.03043	2.4
245.08199	2.7
255.06631	3.2
269.17554	1.0
273.07703	36.4
274.08020	2.2
289.07196	3.0
299.05490	1.2
308.74777	0.5
317.06677	100.0
318.07074	6.0
344.12567	0.9
359.15118	1.9
413.21814	1.2
431.22980	9.1
432.22900	0.9
491.11890	7.0
491.19769	2.3
491.32111	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78731	0.4
59.01366	1.5
60.84325	0.4
64.01221	0.5
67.01878	0.5
67.85044	0.5
69.03448	1.1
69.42587	3.4
70.78396	0.4
83.05033	0.5
83.77188	0.4
85.02952	1.8
86.34067	0.4
87.00887	0.7
93.03457	3.8
109.03025	0.6
111.04551	2.2
118.16914	0.5
127.04008	0.7
135.04497	0.5
137.02458	1.2
138.05569	0.9
145.02931	1.1
152.06276	0.5
155.03525	2.4
155.08717	0.6
158.03740	0.7
159.04512	3.6
165.07173	0.8
167.08638	1.3
169.06555	0.6
171.04482	0.5
173.02417	0.9
173.04573	15.1
173.06020	1.0
174.03230	2.8
183.08174	1.8
184.05278	0.5
185.02437	2.0
185.06097	1.2
186.03322	0.7
187.04028	1.4
188.04523	0.6
191.05609	10.6
193.06566	0.6
195.04524	2.9
196.05283	3.1
199.03975	1.1
199.07527	0.8
201.05580	3.2
208.05292	0.7
209.06114	10.2
210.06822	2.7
211.04099	1.8
211.07648	52.7
212.04753	3.2
212.08020	2.4
213.05524	1.4
227.03537	4.3
227.07069	3.6
229.05070	6.4
240.04288	0.6
245.08229	1.3
255.06618	6.0
269.20529	0.5
271.06122	0.7
273.07703	19.0
274.08084	1.3
289.07135	3.2
299.05609	1.4
317.06674	100.0
318.07031	6.7
336.84882	0.5
491.12094	8.9
492.12079	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.4
67.01828	0.4
69.03452	0.6
69.42388	1.5
69.42812	1.7
71.01393	1.0
72.79840	0.5
83.05001	0.6
85.02980	1.2
93.03473	5.0
106.71101	0.5
109.02968	0.6
111.04506	1.4
119.65810	0.4
129.01939	0.8
137.02498	0.9
145.02988	0.8
147.04636	0.7
152.06357	0.8
155.03481	1.8
155.08655	0.6
157.06522	0.6
158.03743	0.7
159.04503	3.5
165.07101	0.7
167.08661	0.7
173.02367	0.7
173.04590	16.0
173.06059	1.6
174.03239	3.3
174.04630	0.7
175.03973	1.1
178.85530	0.5
183.04486	0.8
183.08089	1.0
184.05418	0.5
185.02435	1.9
185.06023	2.4
187.04013	1.9
191.05589	2.2
193.06616	1.7
195.04472	2.4
196.05275	2.2
199.07603	0.5
200.01271	0.6
201.05516	3.1
203.28119	0.4
208.05298	0.6
209.06113	7.9
210.06912	2.5
211.04088	1.6
211.07657	46.6
212.04832	3.1
212.07913	2.8
213.05478	1.4
214.02701	0.6
214.06401	0.5
216.04239	0.6
217.05124	0.5
227.03514	4.7
227.07076	4.1
229.05066	7.1
229.08624	0.7
237.05653	0.7
245.08212	2.2
251.05711	1.1
255.06587	3.8
273.07700	22.9
274.08078	1.6
289.07181	4.4
299.05453	1.1
317.06668	100.0
318.07059	7.4
491.11734	4.6
492.12326	0.9
497.27396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.3
64.48997	0.9
65.66734	0.8
69.03461	0.8
70.07967	3.4
71.01392	1.8
72.99300	0.9
73.02935	1.5
81.03473	7.9
83.01385	10.2
85.02962	2.6
93.03445	3.5
93.89787	0.9
95.01370	1.6
95.05046	5.0
97.02953	3.8
98.21877	1.1
99.04512	2.9
107.05017	1.8
109.02955	3.4
109.06606	1.3
111.04510	2.4
113.02467	2.4
119.05019	1.4
121.02953	3.9
121.06583	0.8
122.03732	1.9
123.00919	0.9
123.04533	17.1
125.02455	10.1
126.00629	1.0
135.04541	4.8
135.05412	0.8
137.02428	4.0
137.06123	7.2
139.04030	7.6
141.05623	1.8
147.04518	2.0
148.79993	0.9
149.02451	1.3
149.06087	2.2
151.03987	3.0
151.07668	0.9
153.05559	1.6
159.04552	0.9
161.06168	1.8
163.03989	3.3
165.01933	3.5
165.05618	6.3
167.03511	29.2
168.03738	1.2
177.05595	2.1
179.03506	6.6
179.07149	2.0
180.04295	1.7
181.05035	2.0
185.12794	0.9
189.05611	2.1
191.03580	2.1
193.05080	5.2
197.04524	2.8
207.06487	1.2
209.04572	47.2
210.04810	2.7
211.42693	1.0
219.06636	1.0
221.04575	12.5
223.06027	1.9
228.01707	0.9
233.04510	1.4
235.06110	2.5
239.05635	14.4
249.04193	1.4
251.05624	100.0
252.05942	5.8
252.35532	1.2
263.05524	4.3
265.07126	1.4
269.06598	1.7
281.06693	66.5
282.07022	2.5
293.06635	3.0
311.04547	1.4
311.07761	17.8
323.07809	2.4
330.61783	0.9
335.07571	1.6
353.08862	5.3
371.09796	17.7
372.10016	1.6
383.09845	3.1
401.11066	2.1
474.12039	0.9
491.14145	8.8
492.14166	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.8
59.15166	0.6
61.98830	0.8
63.38816	0.7
66.51928	0.6
69.47649	3.9
71.01376	1.1
77.27317	0.6
83.25356	0.7
89.02457	1.0
90.17590	0.6
101.02406	0.8
108.02186	24.0
123.04539	12.0
124.04852	0.8
125.02459	1.5
137.02446	0.7
152.01164	48.7
153.01526	2.1
167.03506	100.0
168.03815	3.1
209.04570	2.8
251.05690	2.2
281.06784	1.3
323.09946	2.0
441.29349	0.6
491.14078	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.6
65.36201	0.2
71.01363	0.2
73.02955	0.6
77.03960	0.3
93.03465	0.4
93.35049	0.2
97.06594	0.4
108.02277	0.2
108.19716	0.2
121.02968	100.0
122.03282	3.0
153.88075	0.2
181.26906	0.2
239.03696	0.2
253.05193	0.3
254.02148	0.3
255.10300	0.3
265.08749	0.4
268.03763	0.2
269.04584	0.6
277.21710	1.2
279.06665	0.5
283.09720	0.7
294.08969	0.4
295.09973	0.3
307.06070	0.3
309.07736	0.3
309.11349	0.6
311.09259	0.5
322.08615	0.7
323.09375	1.6
324.10068	0.7
337.10849	1.7
337.21658	0.3
339.08752	3.2
339.12494	0.5
340.09296	0.3
353.10181	0.3
354.11072	5.8
355.11624	0.3
369.13449	11.3
370.13733	0.9
417.33963	0.2
428.32233	0.2
491.24210	0.7
491.31699	0.6
491.38101	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.6
58.00604	2.4
59.01385	65.9
60.01741	1.2
63.96251	5.9
69.03445	4.1
71.01387	49.3
71.29469	1.4
72.99322	7.1
73.02939	5.3
73.98306	1.2
81.03480	2.6
83.01377	2.7
83.03507	1.1
85.02953	10.9
85.24384	1.3
87.00507	1.1
87.00893	11.9
89.02455	49.1
93.03474	3.9
94.83104	1.1
95.01376	2.5
96.20312	1.2
96.96003	2.0
97.02985	4.1
97.67020	1.3
99.00879	3.0
101.02452	17.9
108.02230	1.4
109.02954	2.1
111.04545	1.9
113.02453	11.9
117.97307	5.4
119.03485	3.4
121.02965	14.1
122.03775	1.9
123.04543	3.6
125.02465	20.5
126.60306	1.6
129.05554	2.2
131.03517	11.8
135.04561	3.1
135.98358	21.8
137.02417	2.1
143.03561	3.6
149.02467	5.0
149.04572	8.9
151.87509	1.3
161.04521	7.9
163.04047	7.7
164.04807	100.0
165.05185	3.7
167.03520	2.3
173.04559	6.9
178.06352	3.1
179.05853	3.4
179.07144	97.4
180.07431	4.7
191.05623	23.1
192.05931	1.8
193.08618	1.9
197.08260	1.7
201.05492	1.3
209.04524	3.0
209.06178	3.1
211.07668	18.2
212.04811	1.7
227.03349	1.8
229.05093	1.9
233.06590	2.9
235.08163	2.5
243.03000	1.7
255.06670	4.9
273.07672	6.9
281.06882	1.5
289.07318	1.6
293.08902	3.6
299.05627	2.0
317.06693	40.7
318.06860	1.6
341.12250	1.9
371.09808	2.1
431.23135	12.1
491.11801	5.1
491.18091	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.1
58.00599	3.9
59.01384	65.0
61.98814	2.3
63.96243	15.1
64.22546	1.4
69.03451	4.3
71.01388	55.0
71.29980	2.4
72.99311	13.8
73.02948	8.2
73.98301	3.6
81.03448	3.4
83.01382	4.6
85.02974	8.5
87.00890	15.5
88.98819	2.1
89.02450	58.8
93.03472	3.5
95.01373	2.1
95.05023	3.1
97.02970	6.6
99.00880	4.7
99.04521	2.1
100.76434	1.5
101.02442	18.1
111.04527	1.8
113.02466	11.4
117.97293	9.1
119.03539	3.0
121.02971	17.5
123.04552	4.8
125.02449	28.4
131.03516	7.2
135.04538	3.5
135.98373	48.7
137.06129	4.5
139.04155	2.9
143.03500	5.1
145.05038	1.6
149.02435	6.2
149.04494	8.5
150.03169	2.1
158.30782	1.5
161.02388	1.7
161.04582	8.1
163.04037	8.1
164.04803	100.0
165.05357	6.3
166.99854	1.9
167.03497	12.7
173.04578	11.0
178.06354	2.9
179.03596	3.1
179.07143	82.0
180.07486	3.9
182.02185	3.8
191.03764	1.5
191.05595	7.4
195.04556	2.1
195.06638	1.9
197.04573	4.5
209.04530	24.5
209.06247	3.5
211.07643	29.2
212.04736	2.3
212.08023	2.2
221.04596	3.2
226.63661	1.9
227.03531	3.0
227.07211	2.9
233.04495	3.1
233.06552	2.4
239.05534	3.0
251.05661	5.2
255.06558	4.2
273.07681	14.3
281.06699	14.1
289.07196	2.4
293.08911	4.1
299.05423	1.8
311.07733	5.5
317.06656	51.4
318.07059	2.1
371.09787	17.3
431.22971	7.6
473.16675	1.9
491.12479	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	3.0
58.00584	3.9
59.01384	100.0
61.98829	9.5
62.48619	2.8
69.03439	4.6
69.07697	18.6
71.01391	48.7
73.02948	14.4
79.11286	2.4
83.01406	4.2
85.02953	24.9
88.98820	4.1
89.02458	25.8
91.62864	2.6
93.03455	3.9
97.02973	6.2
99.00876	3.7
101.02457	40.2
103.04007	22.3
108.02190	19.4
113.02474	8.2
119.03510	12.5
121.96632	2.4
123.04510	18.3
125.02470	32.7
143.03494	3.2
145.05064	4.4
149.02422	7.1
161.04549	3.2
163.06146	21.3
179.05737	2.7
182.02251	12.3
191.05624	28.2
197.04581	12.9
243.02965	3.9
247.08229	6.9
255.06642	5.0
299.05597	20.8
307.10403	16.2
315.12302	4.8
317.06891	4.6
329.13965	4.6
359.14944	7.9
396.57013	2.8
401.67593	2.9
431.23007	10.5
475.40543	2.9
491.12360	8.9
491.19257	26.5
492.19714	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01555	1.7
57.03422	1.5
58.00592	4.3
59.01382	96.8
61.98830	18.0
68.35589	1.5
68.92440	1.5
69.08092	2.9
69.08492	9.8
71.01384	69.1
72.99300	4.9
73.02934	4.8
74.60686	1.9
74.71474	1.7
75.60086	1.4
80.30494	2.0
83.01418	1.8
85.02987	9.9
87.00885	2.0
89.02449	92.0
98.22557	3.6
101.02460	13.5
103.04012	2.9
108.02165	3.8
109.02927	6.6
111.03603	1.5
113.02454	12.5
119.03494	5.4
121.02950	6.1
122.03712	3.8
123.04527	4.5
131.03503	9.6
143.03490	2.3
149.04573	14.1
149.05815	2.5
151.04044	1.8
159.04507	6.4
160.05293	18.3
161.04813	1.6
161.06091	7.1
163.06129	3.7
171.04497	2.2
172.05283	11.8
173.06099	7.1
175.07672	7.6
187.07675	5.2
189.05556	19.6
190.06322	23.0
203.07072	2.1
205.07146	2.7
205.08736	19.2
217.08698	1.8
269.17441	2.1
281.08157	6.2
295.09793	2.1
296.10532	11.6
311.12939	17.5
326.11407	1.9
329.13983	4.5
341.13931	100.0
342.14218	6.2
491.19629	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
57.03428	1.1
58.00572	1.4
59.01384	32.7
61.98780	0.8
64.96305	0.6
66.59340	0.7
69.32671	3.2
71.01390	23.3
72.61929	0.7
72.99324	0.7
73.02934	1.8
77.58538	0.7
83.01381	1.2
85.02966	4.5
87.00864	1.3
89.02451	16.4
89.67693	0.6
96.01106	0.6
101.02439	2.6
108.02159	1.3
109.02966	13.7
113.02428	2.5
123.04534	3.4
126.11816	0.7
131.03484	1.4
149.04471	1.0
159.04536	5.8
172.05292	5.4
173.06091	6.8
187.07678	3.5
189.05582	2.6
190.06230	1.5
191.07146	2.5
201.05600	1.0
203.07120	1.9
204.04225	1.1
225.05566	1.2
240.04204	1.2
241.05077	7.9
242.05681	0.7
253.05019	2.6
255.06636	5.4
267.06631	2.3
268.07281	2.6
269.08167	1.1
279.06558	1.0
280.07538	0.9
281.08240	3.5
282.08826	1.1
283.09818	3.0
295.09738	7.5
296.10428	2.7
298.08514	1.2
299.09207	6.0
311.09277	7.5
311.12643	1.3
313.10843	11.9
325.10980	1.2
326.11618	8.2
327.11859	1.7
329.10248	3.5
341.13931	14.5
342.14502	1.5
343.11859	2.3
344.12653	27.8
345.13043	2.0
359.15021	100.0
360.15378	8.0
491.19290	75.4
492.19498	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52629	2.5
58.00604	4.6
59.01385	96.8
61.98835	14.1
69.22919	25.6
69.23253	4.3
71.01396	49.7
72.99305	8.7
73.02939	8.5
75.00869	24.2
77.71706	2.7
85.02969	6.9
86.04955	2.8
87.00888	3.4
89.02455	81.3
101.02439	5.6
113.02450	8.8
116.94875	2.8
121.10275	6.8
131.03542	9.5
143.03497	4.0
149.04575	7.4
150.54265	3.2
165.09271	6.6
183.10245	7.4
205.07278	4.2
224.04787	5.7
225.09203	3.2
238.06348	4.3
239.10840	3.9
254.09071	3.3
255.10327	7.1
266.05792	3.9
283.09796	41.6
295.09747	5.0
298.12131	7.9
311.09305	96.1
312.09613	4.2
325.10913	8.9
326.11609	50.2
329.06821	4.4
341.13968	100.0
342.14316	9.7
345.72672	3.7
384.32578	3.2
491.21454	36.9
491.27707	5.6
492.21185	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1926
Annotation	Schizandriside
Peak:m/z	Relative Intensity
53.23114	0.6
55.01869	1.4
56.95097	0.7
57.03452	1.5
59.01384	17.7
69.04964	2.9
69.05392	4.1
71.01384	13.3
73.02923	1.8
83.01363	1.4
85.02963	4.5
85.03393	1.0
87.00844	0.9
89.02451	8.6
101.02380	0.9
108.02148	1.6
109.02274	0.7
109.02967	12.5
113.02440	1.2
119.03548	0.7
123.04504	3.0
137.02371	0.7
139.15456	0.8
158.03708	1.1
159.04536	6.5
172.05327	4.0
173.06093	6.0
185.06071	0.8
187.07553	3.6
189.05533	3.3
190.06236	1.5
191.07063	2.2
201.05589	1.5
203.07074	2.1
213.05658	0.9
225.05440	1.5
240.04216	1.2
241.05089	9.4
255.06610	5.5
267.06656	1.5
268.07535	0.9
269.08231	1.3
280.07471	1.3
281.08322	4.8
283.09689	1.2
293.08115	1.2
295.09744	7.3
296.10422	3.2
298.08502	1.5
299.09305	5.6
311.09238	2.6
311.12714	1.8
313.10873	10.2
314.11249	1.2
325.10562	0.9
326.11548	5.2
327.12186	1.3
329.10306	3.2
341.13898	7.6
343.11887	1.3
344.12668	28.8
345.12991	3.2
359.15005	100.0
360.15375	8.6
480.14767	0.9
491.19263	72.8
492.19778	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48706	0.8
53.69861	0.7
54.56496	0.7
55.01884	1.1
59.01387	15.1
61.98833	1.6
70.69915	1.8
71.01386	4.7
72.75179	0.7
72.99316	0.7
73.02956	1.7
75.00867	0.9
78.95915	1.2
85.02975	1.7
86.88819	0.8
89.02466	4.0
93.03498	1.1
96.96977	1.5
101.02458	4.1
113.02474	2.3
119.03481	1.3
121.02985	2.6
133.02988	0.9
135.04533	1.3
145.02966	1.6
149.02432	1.7
149.06116	0.9
161.04517	2.2
167.07155	2.1
179.05630	1.0
179.07129	1.2
220.06184	0.8
227.07214	1.9
240.04250	2.2
241.05055	1.2
251.07065	1.2
255.06641	10.4
256.07123	1.3
256.11099	3.1
265.08560	1.2
267.06656	1.2
269.08194	7.4
269.17517	2.3
270.08804	1.7
283.09790	3.2
284.10587	2.9
295.09787	1.4
296.10486	2.7
297.11258	1.5
299.09271	2.6
300.10046	39.2
301.10443	2.4
310.08505	1.4
311.09280	5.2
312.10049	9.7
313.10544	1.0
315.12408	100.0
316.12695	7.7
327.12418	24.7
327.15680	0.5
328.12701	1.8
329.13889	1.1
345.13403	2.8
365.31241	0.9
431.17645	0.9
431.22763	4.8
491.18954	5.9
491.31985	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31580	0.8
55.01855	1.2
57.03439	2.3
58.00599	0.8
59.01381	37.6
61.98833	12.0
62.80051	0.7
71.01382	20.5
71.05032	1.6
71.61156	0.8
72.99302	2.1
73.02955	4.5
74.07471	0.8
75.00865	3.3
80.91682	16.5
83.01407	3.0
85.02975	5.5
87.00897	0.9
89.02451	16.8
95.01391	1.7
96.96024	2.4
98.21736	2.0
99.00875	1.0
99.26505	0.9
101.02449	12.0
109.03004	1.1
111.08180	0.8
113.02444	5.8
115.03989	7.3
119.03534	4.7
121.02990	1.8
122.02906	1.5
122.03742	13.0
123.04507	1.3
125.02429	0.9
125.94614	0.9
127.07653	1.6
129.09151	1.0
131.03511	1.8
135.04549	7.3
137.02443	2.1
143.03462	1.2
147.04536	1.2
149.06102	1.2
151.07649	0.9
153.12929	1.0
154.02696	1.5
161.04547	1.8
161.05917	0.7
163.04005	10.3
165.05568	3.2
179.05627	1.1
183.31859	0.7
191.05602	1.6
191.07190	4.2
197.11832	1.5
221.99252	0.9
242.02206	0.8
258.01703	1.4
269.17642	3.0
271.02841	0.9
273.04007	1.2
276.36169	0.8
286.01324	1.0
286.21500	0.8
293.21323	1.8
301.03519	1.2
311.09503	1.0
311.22348	9.6
313.16782	2.1
314.11661	18.3
315.12045	1.7
329.13947	95.6
329.23007	5.5
330.14233	7.7
341.14075	1.3
344.05383	2.8
345.11914	1.9
431.22775	2.5
445.20389	1.5
473.27435	3.5
491.12259	5.2
491.28662	100.0
492.29053	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	6.1
59.72083	0.9
71.01380	2.8
85.02922	1.0
89.02468	2.8
93.03460	1.9
95.68125	1.1
101.02464	1.7
108.02198	3.4
110.11241	1.0
115.84717	1.0
121.02988	1.1
123.04538	4.6
127.43832	1.0
133.44720	1.1
135.04501	2.8
147.04533	14.5
148.05319	89.0
149.02463	5.7
149.06091	100.0
150.06425	4.2
163.07658	98.3
164.04800	11.0
164.07996	3.2
179.07126	4.2
205.06891	1.2
205.08658	6.7
211.13455	1.3
311.12949	20.4
311.22464	2.5
312.13391	2.0
329.13962	4.5
329.23260	8.9
461.35309	1.3
491.28644	21.0
492.29031	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1929
Annotation	Schizandriside
Peak:m/z	Relative Intensity
55.01848	1.3
57.03425	1.3
58.00583	0.8
59.01384	15.5
61.98842	1.9
71.01388	15.4
72.99281	1.4
73.02949	2.6
73.92752	0.3
83.01368	1.3
85.02957	5.1
87.00864	0.9
89.02455	12.6
93.03462	2.7
95.05035	0.4
99.00852	1.5
101.02448	3.4
108.02171	0.8
109.02963	6.1
109.32536	0.4
113.02426	1.2
119.03449	0.7
121.02969	31.2
121.11461	0.5
122.03828	2.6
123.04554	2.0
125.02502	0.5
131.03481	1.5
134.03711	0.8
135.04550	2.0
136.05212	0.4
137.02402	1.1
145.06584	2.4
146.03690	0.6
147.04549	5.1
147.08192	0.8
148.05298	0.5
149.04521	2.5
149.06003	0.9
150.03162	0.8
151.03978	0.6
154.02643	1.1
157.06589	1.8
160.05287	1.0
161.06105	5.1
163.03879	0.5
164.04723	0.5
165.05586	23.0
166.05954	1.0
168.04251	0.4
173.06071	2.3
174.06787	0.7
175.07661	3.8
179.07172	5.7
187.07661	0.5
221.08215	1.1
249.39879	0.4
250.09781	0.4
252.08032	0.6
266.09494	0.5
268.10934	0.5
281.08261	1.6
281.11801	1.7
294.08615	0.5
295.09793	0.9
296.10556	11.6
297.11157	0.9
309.11444	1.9
311.12820	6.1
312.13342	0.5
313.10867	2.7
314.11542	1.4
316.18219	0.5
325.10736	1.4
326.11600	5.3
327.11954	0.6
329.14001	1.1
341.13965	5.4
343.12000	0.7
344.08429	0.8
344.12668	16.8
345.13058	1.9
359.15027	100.0
360.15396	8.8
448.22540	0.8
491.19318	14.7
492.19894	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1926
Annotation	cis-2,3-Dihydro-2-(4'-alpha-L-rhamnopyranosyloxy-3'-methoxyphenyl)-3-hydroxymethyl-7-hydroxy-5-benzofuranpropanol
Peak:m/z	Relative Intensity
52.93073	0.5
53.60575	0.6
55.73180	0.5
57.03428	0.6
59.01386	4.9
61.98822	2.6
62.35146	0.5
69.15197	1.7
69.15616	2.3
71.01380	2.4
73.02938	1.2
73.41501	0.5
74.43385	0.6
75.00867	2.6
85.02959	1.2
89.02457	1.2
101.02450	1.9
106.32626	0.5
113.02448	1.0
121.02953	3.3
125.02464	0.6
133.02959	0.9
135.04572	0.9
136.38808	0.6
138.85484	0.5
145.02968	1.2
147.04538	0.8
149.02452	2.2
149.06142	0.9
167.07138	1.6
179.07123	1.3
181.08669	0.6
196.05235	0.8
211.07663	1.5
223.07686	0.7
225.09183	1.0
227.07149	0.9
237.05524	0.7
239.07082	0.8
240.04285	1.7
241.05077	1.1
241.08571	0.7
251.07272	0.9
253.04825	0.7
255.06648	9.1
255.09396	0.8
255.10365	0.7
256.07153	0.9
256.11096	2.1
267.06854	1.0
267.10281	0.8
269.08197	6.3
269.17786	0.8
270.08765	0.9
271.09787	0.9
272.09973	0.6
282.08984	0.8
283.09851	3.6
284.10474	2.4
295.09741	1.8
296.10516	3.8
297.11459	1.2
299.09265	3.1
300.10052	39.1
301.10403	2.2
310.08514	2.0
311.09219	6.5
312.10043	11.2
313.10333	0.9
315.12399	100.0
316.12726	7.3
327.12408	26.3
328.12717	1.9
329.13913	1.2
345.13400	1.4
355.12720	0.6
431.22595	1.5
470.38962	0.6
491.19223	4.4
491.31659	0.7
492.19888	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05484	0.6
55.01869	0.9
57.03429	1.9
58.00580	1.8
59.01384	32.5
61.98835	5.9
71.01389	25.2
72.99300	2.6
73.02943	2.7
75.00870	0.8
83.01392	2.0
84.95141	0.8
85.02953	5.8
87.00874	1.8
89.02453	14.6
91.01871	0.7
93.03439	0.7
99.00883	1.1
101.02454	3.5
108.02187	3.0
109.02257	0.9
109.02966	14.3
113.02441	2.3
116.85826	0.6
119.03541	1.3
123.04521	3.8
124.01622	0.9
125.02466	1.1
131.03499	1.0
137.02493	0.7
141.33278	0.6
144.05815	0.6
159.04538	5.7
161.04642	0.9
168.84442	0.7
171.04486	1.5
172.05304	4.3
173.06085	6.5
183.48677	0.6
185.06032	0.8
186.06908	0.8
187.07663	3.5
189.05617	3.6
190.06325	2.3
191.07127	2.3
203.07097	2.3
205.08765	1.3
212.04822	0.9
217.08621	0.7
221.08130	1.1
225.05626	0.9
240.04271	2.4
241.05092	9.5
242.05447	0.9
251.06924	0.6
253.05051	1.7
255.06615	4.9
265.08713	0.8
267.06662	1.8
268.07523	1.2
269.08203	1.6
279.06622	0.9
280.07404	1.3
281.08090	4.6
283.09875	2.0
293.08356	0.6
294.17960	0.6
295.09830	6.8
296.10443	2.9
297.11340	0.7
298.08426	1.3
299.09338	4.5
309.11179	1.2
310.08475	0.7
311.09363	6.7
311.12723	1.2
312.10114	0.8
313.10852	7.8
325.10632	1.6
326.11560	7.2
327.12381	1.9
329.03238	0.7
329.10291	5.8
329.13675	1.1
330.10757	1.0
341.13943	12.2
343.11816	1.8
344.12674	25.7
345.13113	4.4
359.15002	100.0
360.15369	8.0
431.22906	2.0
476.16833	0.8
491.19250	64.3
492.19659	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84185	0.7
69.08131	5.5
69.08536	0.8
78.95907	54.5
81.06246	0.6
96.96957	6.2
104.80106	0.7
123.17450	0.6
125.24752	0.6
130.49460	0.6
134.31364	0.7
136.91785	4.3
145.02948	2.0
150.98018	1.1
152.99594	100.0
153.99971	1.0
161.90210	0.7
162.83884	1.1
171.00638	4.3
210.95418	2.4
252.36905	0.7
295.61157	0.7
348.98285	0.6
400.63235	0.8
423.10629	0.6
433.23611	19.2
434.23944	1.9
491.19492	10.2
492.19724	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.2
58.00583	3.2
59.01381	65.0
60.01708	1.0
61.39464	0.7
61.98836	4.7
69.03437	1.5
71.01384	57.4
71.05016	0.8
71.32198	1.4
72.99320	4.3
73.02951	15.6
74.77550	0.8
75.00869	2.8
83.01378	1.5
85.02962	6.6
87.00864	3.1
89.02449	100.0
90.02793	1.2
93.03471	1.0
95.01385	0.8
96.96011	1.1
97.02952	2.5
97.06094	0.7
97.06602	5.7
99.00883	25.9
99.08166	1.1
101.02448	33.6
112.58990	0.9
113.02473	7.0
115.03997	1.4
119.03479	4.1
122.03726	1.9
125.02448	12.2
126.48397	0.8
131.03522	18.8
137.06149	0.7
137.09787	0.7
143.03502	3.3
144.18875	0.7
149.04565	61.1
150.04878	1.5
153.12860	51.2
154.13232	2.1
156.78171	0.8
161.04562	4.6
179.05571	1.1
179.10782	19.5
180.11172	0.9
191.05615	16.2
197.11838	53.7
198.12177	2.5
203.16328	0.7
221.06625	3.9
230.02229	2.0
233.06691	7.6
251.07767	2.7
258.01752	2.6
286.01218	7.2
293.08829	12.1
301.03500	4.1
311.09811	2.3
311.22339	0.9
314.00748	0.9
315.01257	0.9
328.13489	0.7
329.03040	29.1
329.23367	1.5
330.03659	3.0
344.05249	4.0
445.20779	2.0
491.11990	24.1
491.28580	15.5
492.12390	3.0
492.28983	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2439
Annotation	Kadlongilactone B
Peak:m/z	Relative Intensity
57.03438	1.0
69.03448	0.4
79.05513	0.3
85.02948	2.2
95.05015	0.4
97.02955	0.4
98.21688	0.4
105.07093	0.3
107.05042	1.0
121.06583	0.3
121.10229	0.7
131.08711	0.3
133.10246	0.6
147.08136	0.6
157.10214	0.3
159.08170	0.5
159.11813	0.9
163.07651	0.2
165.09235	0.4
171.08191	0.9
171.11705	0.3
173.09698	0.5
173.13329	0.3
175.11244	0.6
185.09727	0.6
187.11253	0.5
189.12776	0.6
195.08383	0.2
195.11781	0.3
197.09723	13.7
198.10199	0.8
199.11163	0.4
201.88971	0.2
209.09767	0.3
209.13376	0.4
211.11295	5.4
211.14931	0.6
212.11823	0.3
213.09262	1.0
213.12849	7.1
214.13196	0.3
215.14462	0.2
217.12326	0.2
223.07680	0.5
223.11197	0.3
225.12862	0.7
227.14461	1.9
229.15936	0.6
235.11331	0.3
235.47070	0.3
237.12820	0.3
238.09927	0.3
239.10803	0.5
239.14452	0.6
241.12389	0.3
241.16019	0.7
249.12880	0.3
251.14406	0.5
253.12285	0.5
257.11945	0.4
261.12796	0.3
263.14526	0.3
265.12610	0.4
265.15952	0.3
271.13376	0.3
315.17429	0.5
319.20541	0.6
327.17520	0.5
327.21295	0.6
329.19034	0.3
334.96649	0.2
341.19119	0.3
343.20761	0.5
343.24411	1.6
345.22119	0.6
353.19305	0.3
355.20746	0.7
361.21631	0.4
361.25552	2.4
367.24734	0.4
369.22324	2.4
370.22717	0.6
371.20178	0.6
374.18912	0.5
383.24017	0.4
385.25424	9.1
386.25751	0.8
387.23392	2.9
388.23914	0.7
389.21426	0.3
395.20135	0.3
396.21088	0.3
401.24896	0.5
402.06183	0.2
403.26450	11.6
404.26703	1.0
408.41342	0.2
411.23401	1.3
413.21301	1.5
414.22025	2.7
429.24335	6.2
430.24802	0.6
431.22144	0.9
440.20096	0.8
447.25430	23.3
448.25763	2.6
455.22342	1.2
458.21045	1.8
473.23392	5.9
473.29691	0.4
474.23602	0.7
479.24188	0.3
491.24417	100.0
492.24765	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2433
Annotation	Kadlongilactone B
Peak:m/z	Relative Intensity
59.01385	6.5
70.34435	7.6
78.95917	23.1
85.06583	29.6
94.64417	3.4
99.04523	3.6
120.96993	3.0
121.06667	3.6
122.03754	10.8
135.08145	5.6
137.06102	42.5
138.98000	5.1
152.99637	19.5
157.10243	6.3
175.11322	7.2
185.09732	59.5
195.00710	4.1
203.10796	12.8
213.01730	6.4
236.12163	3.9
243.14020	3.9
251.14458	16.0
267.23303	4.3
277.21738	100.0
278.22134	5.7
301.11697	3.1
317.19125	7.8
319.20685	10.9
361.18073	13.0
364.04364	3.3
369.22241	4.0
385.25482	42.2
401.25162	6.7
403.26630	6.4
419.25778	9.3
429.24414	12.4
447.25540	13.3
473.23138	23.4
490.36078	4.9
491.24667	20.6
491.37286	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55489	0.7
55.01883	0.9
57.03454	1.5
59.01383	100.0
60.01721	0.8
61.98840	6.3
71.01388	14.6
71.05037	0.9
71.30759	0.8
72.99309	0.6
73.02947	4.8
75.00865	2.0
83.01408	2.7
85.02951	5.4
87.00884	0.9
87.04527	0.9
89.02454	8.0
95.01414	1.0
99.00901	1.9
99.04545	1.1
101.02461	10.2
109.02991	1.5
113.02461	5.2
119.03548	2.5
120.99678	4.5
123.04633	0.6
143.03543	1.3
159.03044	1.2
161.04567	9.9
173.06055	1.1
179.05693	1.0
183.05286	0.8
191.05675	1.3
197.11896	1.6
209.11909	0.9
225.06932	0.7
269.17557	10.7
269.20129	0.8
270.18286	1.0
271.02631	1.3
299.09521	0.8
300.02991	1.6
301.03964	1.1
315.12509	1.0
328.65341	0.7
329.13968	1.0
341.14139	0.9
344.12860	1.3
347.95767	0.7
359.15076	6.4
431.22879	21.4
432.23660	2.3
463.09305	1.1
475.22205	0.9
491.08737	1.1
491.19202	4.7
491.26245	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2866
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
51.01533	0.6
55.01865	1.1
57.03434	1.2
58.00579	0.9
59.01381	26.8
61.98833	4.5
66.03821	0.6
71.01388	15.5
71.32139	1.3
72.99308	1.6
73.02956	4.5
75.00871	1.5
80.91683	4.8
83.01399	3.7
85.02956	6.3
87.00864	1.2
89.02445	8.9
95.01403	1.1
96.96003	2.4
99.00896	1.0
101.02450	10.6
112.64322	0.6
113.02452	6.2
115.04018	6.0
119.03498	3.0
122.03751	2.6
127.07699	1.3
131.03535	1.7
135.04530	2.3
136.01653	0.9
137.02403	1.0
151.03998	1.0
161.04593	1.9
161.05949	0.7
163.04051	2.2
185.61374	0.7
191.05621	1.3
191.07248	1.3
269.17587	2.6
273.04041	0.8
311.22290	7.3
313.16650	2.8
314.11621	2.5
329.10596	2.0
329.13971	17.3
329.23212	5.6
330.14310	1.6
344.05276	1.2
431.22714	1.8
445.20859	2.3
473.27515	5.5
474.27972	0.8
491.12592	2.6
491.28644	100.0
492.29028	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2868
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
55.01881	0.9
57.03448	0.8
58.00605	0.9
59.01386	28.3
61.39576	0.4
61.98829	0.6
69.03469	0.4
70.93122	0.8
71.01389	15.6
72.99312	1.7
73.02948	0.8
75.00899	0.4
77.16132	0.4
80.29109	0.4
83.01397	1.0
85.02957	3.4
87.00886	0.6
89.02454	9.4
89.02970	0.7
95.01402	1.5
99.00864	0.7
99.08170	1.9
101.02462	7.9
101.78611	0.4
113.02467	4.2
119.03513	2.8
125.09743	1.0
125.38026	0.4
129.09222	1.4
139.11383	0.7
142.36285	0.4
161.04536	0.4
167.14410	0.9
171.10237	0.7
181.12325	0.7
183.13873	4.4
185.11816	1.8
193.12341	0.7
195.13899	0.8
197.11888	1.0
199.13393	1.1
211.13422	26.7
212.13698	1.4
229.14384	2.3
253.69043	0.4
293.21225	6.9
294.21667	0.6
311.22256	4.6
312.22452	0.4
313.23862	2.2
329.23364	14.9
330.23764	1.2
491.28680	100.0
492.29031	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48913	1.3
71.31042	1.5
81.94753	1.4
96.85962	1.3
106.52706	1.3
109.59563	1.4
249.62582	1.4
423.32764	3.9
463.32227	1.5
491.31461	100.0
492.32001	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.89100	3.2
70.64546	9.2
72.03040	3.3
123.50340	3.0
146.71109	3.3
195.67905	3.4
208.30591	2.7
265.37759	3.1
395.29510	4.0
491.31522	100.0
492.31787	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11892	0.3
69.20753	2.3
71.01371	0.6
87.38154	0.3
103.71509	0.3
111.04583	0.4
116.58677	0.3
180.23483	0.3
189.73164	0.3
351.44571	0.3
355.26526	0.9
381.18527	0.3
381.28061	0.9
383.19888	0.6
395.22031	0.7
395.24417	0.4
395.29520	5.3
396.30167	0.6
397.31207	0.9
413.24487	0.7
433.23059	0.3
435.28973	0.3
449.26889	0.7
463.28180	0.5
491.31448	100.0
492.31787	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67554	1.1
57.99376	1.3
60.87202	1.1
65.03367	1.2
69.00526	1.2
71.30109	1.6
73.43993	1.1
101.92427	1.2
102.91776	1.4
156.73689	1.2
183.41324	1.2
312.74210	1.3
315.23306	24.6
316.23605	2.3
491.31430	100.0
492.31793	12.8
499.65262	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
70.48344	5.5
70.48683	5.8
85.78788	3.0
96.13096	2.8
98.15177	2.6
142.81758	3.2
147.02245	3.2
491.31451	100.0
492.32034	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3145
Annotation	bis(7)-Tacrine
Peak:m/z	Relative Intensity
54.04327	0.4
61.54730	0.3
69.09712	0.7
69.10116	2.2
71.01376	1.3
91.75738	0.4
97.38172	0.3
98.21815	0.6
122.95638	0.4
263.18417	0.4
286.53488	0.4
309.99683	0.4
355.26392	0.5
395.22009	0.5
395.29547	2.6
397.30887	0.8
427.91580	0.4
491.31448	100.0
492.31769	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
69.91386	100.0
69.91785	56.4
152.99602	39.3
170.98300	29.4
330.39697	29.6
352.51422	29.3
463.23068	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3746
Annotation	Sipholenol G
Peak:m/z	Relative Intensity
57.03448	1.2
58.48269	0.7
71.01389	2.2
73.02947	2.5
73.39770	0.7
78.95898	2.2
120.16746	0.8
121.02991	2.0
149.41330	1.0
152.99594	3.7
415.32367	1.6
459.35077	2.7
473.36328	6.2
491.37476	100.0
492.37793	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86019	0.5
59.01373	3.3
61.01816	0.7
61.98834	100.0
69.21028	3.4
71.01392	2.4
73.02943	1.2
76.25041	0.6
85.02953	0.7
89.02446	1.0
101.02456	1.1
102.02940	0.6
113.02470	0.9
120.99657	0.7
139.62444	0.6
161.04581	0.6
163.06207	1.0
164.06476	0.8
165.06644	0.8
185.11876	1.1
296.79819	0.6
319.21262	0.6
350.59531	0.6
395.68423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79261	0.6
59.01382	12.9
61.98833	100.0
71.01382	4.3
71.31127	0.9
73.02962	1.6
74.02475	0.8
78.95923	2.2
85.02962	1.4
89.02457	4.1
89.81622	0.8
101.02419	3.5
113.02487	1.4
119.03529	1.0
122.06135	2.4
125.02468	0.7
131.03502	0.8
152.07164	3.8
155.98450	0.8
161.04630	1.1
163.14552	0.8
165.05594	1.5
176.82346	0.7
179.07254	0.9
186.41922	0.7
188.61574	0.7
197.04430	0.6
267.16116	1.6
268.16507	3.0
269.17126	1.0
270.17389	2.2
271.19244	0.8
281.41415	0.8
283.10843	3.5
343.15329	1.0
361.16620	5.3
433.24698	2.9
448.19174	2.9
492.18195	1.3
492.24469	1.7
493.21948	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.4
61.98835	100.0
69.16763	3.8
71.01385	3.0
73.02971	0.9
78.92860	0.6
85.02968	1.7
89.02477	1.8
98.21763	0.9
101.02439	2.3
113.02479	1.3
119.03516	1.0
144.73070	0.4
161.04636	1.1
199.13495	0.6
209.21849	0.6
285.17191	1.4
287.01990	1.3
315.01385	2.7
316.02573	1.2
319.59064	0.5
330.14661	0.5
331.04843	1.2
340.62299	0.5
372.46609	0.6
475.09259	1.2
492.19733	4.9
493.09808	2.4
493.23239	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89202	1.0
57.47831	1.0
58.02958	1.2
59.01380	1.3
71.28976	1.1
72.00895	4.3
74.02480	33.7
78.82737	1.0
89.02442	1.2
93.56040	1.0
95.05031	2.8
96.96975	2.3
97.06595	7.1
100.00449	1.5
116.05082	19.5
118.06645	7.3
136.07660	1.4
137.64590	1.0
139.08778	3.4
139.79956	1.0
140.07205	5.2
142.06642	4.1
147.04521	11.2
153.10381	3.2
154.08699	4.9
155.57465	1.0
155.93985	1.2
158.08260	1.8
159.09323	1.6
162.83949	5.9
164.07176	15.5
186.05621	1.1
198.07748	8.6
203.08281	13.5
244.13425	4.1
271.92352	1.0
288.12244	1.3
300.17075	1.3
301.15613	1.9
317.19916	1.1
319.16617	1.1
345.14371	2.3
353.27982	1.1
363.15546	2.3
417.61371	1.2
430.21509	2.7
433.18570	2.2
443.06311	1.1
448.22028	1.3
492.13620	4.0
492.21426	100.0
493.21640	11.5
493.28116	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86679	3.1
55.01889	6.3
57.03452	6.6
59.01383	37.0
61.98830	8.0
69.16277	26.9
71.01392	48.2
71.63229	2.9
73.02934	14.5
83.01405	9.2
85.02943	29.3
89.02456	11.7
99.00883	7.5
101.02448	49.1
101.23699	3.0
106.22518	3.3
113.02477	22.0
115.85730	3.3
131.03513	33.3
136.05328	3.1
159.02769	3.5
161.04562	13.5
171.10155	3.5
222.42302	3.4
228.92703	3.2
317.19705	100.0
318.19989	6.6
321.73026	3.7
418.30325	5.8
449.23898	39.8
449.32849	10.7
450.24445	4.4
492.29947	5.0
493.30670	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25608	0.4
54.42743	0.4
57.03428	0.5
59.01335	1.3
65.48579	0.4
67.77380	0.5
69.16406	4.1
78.95913	7.8
86.08562	0.5
88.21082	0.4
97.02928	0.5
113.09705	1.9
124.42344	0.4
134.14481	0.4
140.01208	2.3
152.99588	0.7
177.12839	0.6
179.14395	1.0
185.90901	0.4
195.13911	17.4
196.03752	1.5
196.14125	0.6
203.28342	0.5
209.11781	0.5
214.04869	3.9
216.49516	0.5
233.57932	0.4
251.23598	0.5
277.21744	13.5
278.22055	1.3
292.00662	0.5
295.22800	100.0
296.23135	7.0
313.82138	0.5
492.27405	20.2
493.27075	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.276
Annotation	Unknow
Peak:m/z	Relative Intensity
70.59573	38.9
70.59882	49.9
78.95918	100.0
97.03140	33.7
102.06886	30.8
152.99608	80.7
162.06898	44.4
492.33908	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.0
61.98833	5.5
62.44014	0.7
66.02185	0.7
69.10860	6.2
71.01385	5.8
72.99274	1.0
73.02934	1.2
74.02493	0.8
83.01362	1.0
85.02941	1.7
89.02433	3.5
95.46736	0.6
97.30704	0.6
101.02486	4.1
113.02442	1.8
119.03453	1.1
120.99670	4.1
135.08112	0.8
137.09668	0.7
143.03419	1.0
151.00362	2.1
155.10770	8.2
161.04556	1.7
163.00378	0.9
171.04602	1.1
179.05576	1.2
187.03954	1.9
191.03406	1.1
199.04108	0.8
199.09778	7.4
203.03441	2.6
213.01840	1.2
214.02786	0.8
215.03487	3.3
231.03085	1.1
234.38850	0.7
241.01466	1.0
243.03058	5.1
248.82466	0.8
259.02444	6.6
271.02502	3.6
287.01984	51.3
288.02283	2.9
315.01480	100.0
316.02063	22.3
317.02579	1.0
330.03876	10.6
330.19116	1.0
331.04587	10.2
331.12289	2.6
392.72232	0.9
433.24512	3.3
441.40683	0.7
451.32816	5.9
465.10614	0.7
478.07382	2.6
493.09927	79.1
494.10098	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.12
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37121	0.6
59.01380	3.1
63.81020	0.6
66.86519	0.5
67.90906	0.6
69.03451	1.4
71.01373	2.7
71.29314	1.2
73.02954	0.7
78.95920	1.0
85.02945	1.5
89.02432	1.8
93.03461	2.8
93.88132	0.6
95.01385	2.7
96.96038	0.8
97.02966	0.9
98.21986	0.8
99.00883	0.8
101.02448	1.7
107.01382	0.7
111.04578	0.7
111.91707	0.7
113.02399	1.1
123.00888	12.2
124.01673	31.3
125.02461	21.5
125.11393	0.8
127.66839	0.7
133.02904	0.8
136.93971	0.6
137.02522	0.6
138.38718	0.6
145.02930	0.8
149.99596	45.5
151.00423	3.5
151.03973	0.8
166.99895	0.8
167.03467	1.6
168.00648	100.0
169.01414	10.1
173.04562	2.2
179.03542	1.1
191.05562	0.8
193.01350	0.9
195.07979	0.7
210.37044	0.7
211.01103	0.8
213.79761	0.6
269.06683	1.1
295.11963	1.8
313.05392	1.1
318.85284	0.7
319.07532	0.9
428.84140	0.7
433.06094	1.0
451.05923	0.7
475.10126	0.8
493.12024	93.3
494.12369	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1202
Annotation	16-Oxonapyradiomycin A2
Peak:m/z	Relative Intensity
53.97250	0.7
59.01386	3.4
59.09476	0.6
69.03450	0.7
70.74108	1.5
71.01377	1.9
73.02946	1.1
81.03440	0.7
83.01407	1.0
87.83726	0.7
89.02460	1.0
93.03468	0.7
95.01397	2.1
97.02937	1.1
97.80767	0.7
101.02402	1.0
107.01398	0.8
123.00893	8.4
124.01665	26.5
125.02462	19.3
149.02501	0.8
149.99599	38.5
151.00307	2.7
151.04071	0.6
167.03485	2.0
168.00647	82.9
168.99857	0.8
169.01367	8.0
184.83443	0.7
193.01396	0.7
213.07025	0.7
298.89548	0.7
473.93237	0.7
493.12012	100.0
494.12283	9.1
517.47241	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50684	0.6
59.01393	3.1
61.88689	0.7
61.98835	0.8
62.76571	0.6
67.01913	0.7
69.49050	3.0
69.49457	1.0
70.11098	0.6
71.01379	2.0
72.99258	0.7
73.02937	0.9
85.02966	5.1
87.00871	1.5
87.72654	0.6
88.08743	0.7
89.02434	1.1
93.03452	4.3
96.96026	1.0
97.03019	0.8
98.13938	0.6
99.04521	2.2
109.02943	0.8
111.04535	3.3
119.05004	1.5
127.03976	1.5
145.06619	1.2
155.03485	2.2
164.04745	0.9
167.08643	1.3
171.08182	1.4
173.04567	7.2
177.65459	0.7
183.08183	0.7
185.09732	2.1
191.05620	41.2
192.05928	0.8
193.06554	6.0
195.08154	100.0
196.08545	4.6
211.07658	1.5
213.09274	3.9
221.06091	1.6
239.07143	13.1
257.08197	19.8
258.08612	1.0
265.05054	3.9
275.09256	13.0
283.02930	1.6
283.06131	33.9
284.06516	2.0
301.03986	1.0
301.07208	15.0
302.07529	1.0
319.08109	3.0
431.13519	3.0
433.24350	0.7
449.14658	5.2
457.11401	3.4
475.12466	16.7
476.12808	1.8
493.13541	10.1
494.13745	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	9.4
60.30772	0.8
60.75330	0.7
60.88049	0.9
61.98820	2.1
63.85034	0.7
66.98676	0.8
69.09699	3.6
69.10122	4.5
71.01400	5.0
72.23165	0.8
73.02944	1.6
73.61488	0.9
83.05032	1.3
85.02959	6.2
87.00883	2.3
89.02451	2.8
93.03461	5.6
96.96051	1.4
97.30405	0.8
99.04528	2.0
99.97393	0.8
100.32548	0.8
101.02462	2.0
109.02937	1.1
111.04530	3.6
113.02435	1.0
119.05041	2.5
121.02898	1.0
125.02428	1.1
127.04011	2.2
131.03513	1.2
135.04533	2.1
145.06587	1.3
155.03513	2.3
161.04584	1.0
164.04773	2.0
165.05249	1.0
169.06572	1.1
171.08130	1.2
173.04541	7.7
179.07130	1.9
181.07602	1.3
185.09631	2.0
191.05627	39.5
192.05963	1.7
193.06580	5.6
195.08160	100.0
196.08511	5.8
201.05501	1.0
211.07646	1.5
213.09166	4.1
221.06088	3.0
239.07158	13.3
240.07494	0.9
245.46083	0.8
257.08212	20.4
265.05099	3.9
269.54584	0.8
275.09253	15.0
283.06134	35.9
284.06500	3.5
301.07175	17.4
319.08078	3.1
337.09375	1.3
393.65051	0.9
431.13257	3.1
433.24365	1.4
449.14673	4.9
457.11502	4.1
475.12466	17.4
476.12866	1.1
493.13327	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	75.0
61.98515	5.7
61.98831	100.0
67.02905	3.5
71.01382	40.9
72.99335	3.6
73.02958	16.5
78.95906	22.3
85.02946	13.5
87.00882	6.8
89.02440	29.9
96.96942	8.3
99.00937	4.4
101.02460	26.3
113.02454	11.6
119.03487	9.9
120.99706	4.6
121.02935	9.4
131.03481	7.2
143.03465	5.9
147.04538	3.3
152.07191	3.9
161.04506	5.7
163.06105	12.1
165.05565	6.2
173.19044	3.5
178.48578	3.4
179.05632	6.7
179.07025	4.2
205.07153	5.9
229.04849	6.0
271.19406	4.5
284.11435	3.7
331.13031	16.1
343.15463	4.2
361.16473	29.8
415.30273	3.9
433.24454	34.6
475.27271	4.0
493.21680	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70994	6.7
54.45042	5.5
56.25101	7.3
59.01379	45.2
60.03408	7.2
61.98836	100.0
68.97725	15.7
68.98141	52.6
71.01384	44.9
73.02932	10.4
75.00871	19.0
83.05034	9.0
85.02940	9.2
87.83661	6.0
89.02448	16.3
96.96026	8.4
98.22536	14.9
101.02440	27.9
101.90074	6.6
108.90281	6.5
113.02401	15.3
131.03481	10.9
134.03790	7.9
135.04538	8.6
135.06166	6.0
140.28032	6.7
143.03476	7.4
153.07648	7.3
160.05261	7.2
189.09215	8.6
213.40181	6.7
237.87624	7.0
315.18027	14.6
331.15683	8.1
345.36398	6.8
445.16556	11.1
447.22418	20.3
457.56107	7.0
493.18542	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75562	1.5
55.64565	1.7
59.01384	19.6
60.19103	1.6
61.98840	11.9
69.51144	1.5
71.01377	6.4
71.30063	2.9
73.02946	3.9
73.84017	1.6
80.91685	3.4
80.96529	2.2
83.05038	3.1
85.02969	2.3
89.02464	2.8
93.03461	14.1
95.79177	1.8
95.99532	1.5
96.96086	2.3
96.96929	1.6
101.02438	3.8
109.02961	2.7
111.04518	3.8
117.03501	3.2
119.05033	12.2
134.03755	54.8
135.04346	1.6
137.02480	3.6
145.02975	11.0
149.06094	100.0
150.06454	3.4
155.03482	3.5
161.04523	1.5
163.04008	8.5
163.07635	1.7
170.19974	1.7
173.04539	6.3
181.05061	3.4
191.05627	3.6
195.08107	6.2
197.08188	24.7
209.04338	1.6
210.04836	3.3
211.01039	1.9
211.07649	1.9
213.09171	3.5
238.99356	1.7
253.80347	1.6
275.09167	4.0
293.10327	2.8
295.11938	2.3
319.08112	12.9
337.09299	66.3
338.09537	5.9
408.67322	1.6
433.16928	3.9
491.45926	1.7
493.13120	3.6
496.98218	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01485	1.3
56.05488	1.2
57.03453	1.5
58.00595	1.4
59.01382	49.1
61.98833	20.0
62.09565	1.3
64.05936	1.3
69.20917	8.9
71.01389	28.7
71.05060	1.3
72.99313	2.5
73.02952	13.3
75.40691	1.3
83.01385	1.7
85.02980	9.1
87.00893	7.6
87.04520	2.1
89.02450	18.9
93.03443	3.5
96.96014	1.4
101.02457	15.9
103.04016	5.9
109.02953	5.5
113.02454	3.7
115.03987	3.2
119.03502	4.9
120.99636	1.4
121.02970	22.5
122.03757	10.5
123.04502	2.8
125.02522	1.7
126.14645	1.3
129.03479	1.8
131.03510	5.5
135.04512	1.9
136.05328	2.9
137.02487	2.4
143.03511	2.9
145.05051	2.2
146.08200	2.6
147.04539	8.7
149.06099	1.6
154.02728	2.4
155.65401	1.4
161.04782	1.6
161.06084	6.4
163.06137	16.7
164.04796	1.5
165.05562	26.1
167.10866	2.9
173.06110	1.6
179.07169	8.6
191.07204	2.7
199.13396	2.2
205.07178	8.8
256.06497	1.7
277.12161	2.1
287.13251	2.1
298.12057	4.0
313.14487	7.9
315.01517	6.1
315.12396	2.3
316.01874	2.3
328.13126	4.8
331.12180	3.8
343.15494	15.9
344.15988	1.5
346.14218	8.4
361.16595	100.0
362.17032	8.6
433.24796	2.1
457.16000	2.0
475.09012	1.8
493.21011	56.1
494.21240	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.0
59.01371	2.2
69.03465	6.2
73.12704	0.5
81.03432	1.4
83.05035	8.2
85.02972	0.7
87.00857	0.6
88.64776	0.5
93.03445	0.7
93.07101	0.9
95.69276	0.5
97.02943	2.1
98.03754	0.6
99.04530	24.1
100.04849	0.8
106.71185	0.6
107.05087	1.1
109.06590	1.9
109.10214	3.1
111.08126	0.9
119.08672	1.0
123.08131	0.7
130.21278	0.7
133.06638	0.7
133.10239	0.6
135.08153	2.4
137.09731	1.2
139.07681	4.8
145.10225	0.9
147.08179	1.9
149.09727	1.2
151.07666	1.0
151.11296	3.6
151.12340	0.5
155.91412	0.6
159.08174	0.6
159.11823	0.6
160.10568	0.7
161.09698	2.1
163.11324	3.3
165.91130	0.6
169.10234	0.7
173.13399	0.8
187.11244	1.6
189.12878	0.8
189.57793	0.5
190.70132	0.6
191.40961	0.6
195.11800	0.7
199.11296	1.5
199.14960	0.7
203.14438	0.7
205.12355	5.3
243.13943	2.6
243.17419	0.7
251.14380	0.6
253.16058	1.4
255.17574	0.9
260.42511	0.6
269.19135	2.0
279.17664	0.8
293.19269	0.6
295.17328	1.3
297.15216	0.6
297.18573	0.7
297.86630	0.7
298.15564	0.7
313.18295	1.4
321.22324	0.6
334.32526	0.6
339.23465	1.7
361.25333	1.4
363.26953	0.7
365.21313	0.7
387.26917	4.0
405.24084	3.0
405.28787	6.0
431.26108	4.8
432.26343	0.7
433.23785	0.9
449.27029	26.9
450.27280	3.6
475.25156	0.9
493.25995	100.0
494.26257	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35795	0.7
56.04650	0.5
57.63774	0.6
59.98519	1.0
69.03468	0.9
69.08241	5.9
70.61794	0.6
71.01357	0.9
83.05005	0.6
90.31414	0.6
95.05032	1.3
95.20818	0.7
98.00092	1.3
98.21724	1.1
99.00889	2.4
99.04559	3.5
109.06539	0.7
110.26966	0.7
111.04521	0.9
111.08189	1.1
115.44383	0.6
120.50579	0.6
122.03757	0.6
123.04533	1.8
126.38932	0.6
137.06125	3.8
137.09714	2.0
138.06900	7.0
139.07671	5.3
151.23856	0.6
223.11163	0.7
224.90605	0.7
253.15938	0.9
267.17487	0.9
288.13971	0.6
290.93866	0.6
347.23663	0.9
354.18369	0.8
361.25476	1.4
387.26801	1.7
399.81799	0.6
405.23734	1.4
405.28064	2.2
431.25839	1.9
449.27011	9.8
475.24438	0.9
493.25995	100.0
494.26328	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
57.17332	0.1
59.01374	0.3
63.79386	0.2
69.01071	0.7
69.01496	1.0
69.03444	0.5
71.01366	0.2
73.02937	0.2
79.05556	0.2
83.05022	0.4
85.02943	1.1
93.07086	0.2
95.05019	0.2
99.04507	0.2
105.07116	0.5
107.05039	0.5
107.08667	0.2
109.06603	0.2
119.05096	0.2
119.08653	0.6
121.06641	0.3
121.10240	1.4
125.06110	0.2
127.10879	0.1
131.08641	0.3
133.06601	0.6
141.61447	0.2
143.08653	0.4
147.08165	0.5
147.11815	0.2
149.09709	0.5
154.55858	0.1
155.08690	0.4
157.10208	0.3
159.08165	0.4
159.11829	0.4
161.09698	0.4
164.75984	0.1
165.09193	0.3
169.10219	0.3
171.10448	0.2
171.11801	1.6
173.09723	0.6
173.13342	0.2
175.11266	2.3
176.11621	0.3
177.12840	0.4
181.10199	0.8
183.11804	0.2
185.09731	0.2
187.11266	0.5
188.08383	0.3
189.12840	1.3
191.14497	0.2
195.08105	0.1
195.11810	1.3
197.09721	1.6
197.13324	1.0
201.09297	0.2
209.13402	0.9
211.11443	0.2
211.14941	3.8
213.12744	0.2
213.16444	0.3
215.10770	0.8
221.09619	0.2
223.11273	0.2
227.14513	0.3
229.16022	1.3
235.14896	0.5
236.12064	0.2
237.12904	0.7
241.12363	0.5
249.12874	0.4
251.14458	0.2
253.15968	0.2
255.13928	0.4
263.14322	0.2
265.15961	1.0
313.19418	0.2
325.19656	0.2
329.19104	0.3
329.22903	0.2
333.14722	0.2
337.19733	0.4
353.22858	1.8
354.23334	0.3
355.20755	0.3
367.24399	0.2
369.25854	2.3
371.23776	2.8
372.24323	0.4
385.25427	0.2
387.26904	2.8
388.27380	0.3
395.23752	0.4
397.21674	0.3
398.22586	0.3
405.28311	0.9
413.24860	3.0
414.25290	0.4
415.22705	0.4
431.25967	6.3
432.26416	0.8
449.26978	4.9
450.27325	0.6
457.23981	0.3
475.24939	5.6
476.25391	0.7
493.25977	100.0
494.26343	12.3
511.26965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24312	1.4
57.03436	1.8
62.63521	1.3
68.27624	1.3
69.03457	2.6
69.13411	12.9
76.94135	1.2
79.96236	1.3
83.05057	1.6
89.94272	1.5
90.71333	1.3
95.01978	1.2
97.02950	3.7
98.22541	1.3
99.04517	5.9
111.04527	2.1
112.17982	1.3
119.08606	1.8
123.08134	2.0
135.08209	2.2
137.09787	1.9
138.06886	3.3
139.07648	2.6
159.11766	2.7
163.07706	1.5
165.05635	1.6
173.09732	1.7
197.20480	1.5
209.13377	3.4
239.14407	1.7
243.13965	5.0
267.17453	2.0
272.52844	1.6
277.07288	1.5
294.85864	1.6
303.21280	4.7
343.05133	1.6
354.23578	2.5
361.25250	2.5
369.25967	11.9
377.28467	6.8
387.26999	5.4
403.26462	5.7
405.28430	2.6
413.24924	34.5
414.25189	4.8
421.27524	24.7
422.27829	4.0
423.25443	3.5
431.25922	95.9
432.26279	12.1
449.27048	13.8
450.27356	2.8
475.25009	1.8
493.25998	100.0
494.26413	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.26
Annotation	Artesieversin
Peak:m/z	Relative Intensity
59.99622	1.4
71.32075	2.2
72.86256	1.6
97.02963	3.0
98.50837	1.6
99.04524	4.2
107.05022	1.7
108.34801	1.5
138.06865	2.0
139.07622	3.5
227.14441	2.5
244.05759	1.5
267.13913	1.8
303.31860	1.8
325.18140	2.1
357.22217	2.1
387.26901	9.3
389.24921	1.7
405.28036	14.9
413.24899	4.3
431.25882	25.4
432.26285	2.2
449.27017	25.8
450.27240	4.2
475.24899	5.7
493.25977	100.0
494.26431	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	3.1
69.12336	7.6
69.12758	7.1
83.05015	1.6
96.21587	1.6
107.08667	2.0
119.08583	2.2
139.07701	1.6
151.07689	1.8
192.74600	1.6
368.87827	1.6
369.26349	1.7
387.27139	2.0
431.26334	1.9
449.27014	13.9
487.24060	1.7
493.25998	100.0
494.26230	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2601
Annotation	Ripostatin A
Peak:m/z	Relative Intensity
57.03440	0.9
59.01375	1.2
69.03459	3.2
70.05875	2.0
70.06226	0.8
81.03453	1.2
83.05029	4.0
93.07130	0.9
96.18795	0.6
97.02952	3.4
98.21679	0.6
99.04535	1.8
105.07094	0.6
106.04245	0.6
107.05019	0.9
107.08675	1.3
111.04498	0.7
115.28470	0.5
119.08645	1.5
121.06557	0.6
121.12274	0.6
121.13159	0.5
123.08162	0.9
125.09720	1.3
132.62547	0.6
135.08139	1.4
147.08156	1.3
149.09679	0.6
151.07668	1.7
151.11293	0.7
161.09732	2.3
163.11308	5.1
164.11577	0.8
165.12872	0.7
169.10222	0.9
171.10286	8.7
173.09726	0.7
185.13281	0.7
187.11296	2.7
189.09404	0.7
199.14873	0.9
205.12404	1.0
209.11800	14.8
209.13440	1.5
210.12120	0.9
222.42891	0.6
243.13895	1.3
247.13312	3.5
265.14410	1.4
321.16943	0.6
328.57651	0.6
369.25925	3.9
371.23465	0.7
375.25391	0.7
387.27094	4.3
405.28061	0.8
413.24924	1.9
419.24698	0.9
431.26212	3.3
449.27011	32.3
450.27332	4.3
475.26489	2.1
493.25995	100.0
494.26367	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.26
Annotation	Artesieversin
Peak:m/z	Relative Intensity
57.03435	0.8
59.01367	0.6
69.01824	1.6
69.02259	2.2
69.03465	4.6
81.03452	0.5
83.05040	3.6
93.03469	0.8
94.28230	0.4
94.76897	0.4
95.05029	0.6
97.02969	2.2
97.06596	0.6
99.04543	3.1
107.08674	1.7
109.06575	0.6
109.10238	0.9
111.04552	0.6
111.08160	0.5
119.08681	1.3
121.06590	0.6
123.08163	0.7
133.06606	1.2
135.08170	1.6
136.91319	0.5
137.06084	1.0
143.08635	0.7
145.06551	0.5
145.10185	0.6
146.88031	0.5
147.08189	1.5
149.09677	0.8
151.07684	2.1
151.11217	0.8
157.10210	0.4
159.11806	0.6
161.09750	1.8
163.07642	1.2
163.11290	4.6
169.10231	0.5
171.08206	0.5
171.11749	0.4
173.09630	0.4
185.09743	0.4
187.11302	2.3
189.09151	0.7
189.16521	0.4
199.11259	0.5
199.14917	0.6
205.12325	1.0
209.13336	1.5
213.12691	0.4
213.16452	0.8
227.14491	0.9
239.14503	0.4
243.13940	1.2
253.16069	0.8
259.13489	0.5
269.19046	0.7
269.92963	0.4
279.17667	0.4
293.11871	0.9
297.18518	0.5
301.08142	0.5
309.22348	0.7
341.17584	0.8
369.25879	3.4
370.26245	0.5
371.23843	0.5
387.27005	4.0
395.15027	0.8
395.23209	0.5
405.28030	1.4
406.27939	0.5
413.24969	1.2
415.23163	0.6
431.25967	1.5
432.26328	0.6
449.26978	28.5
450.27356	3.7
475.24884	0.6
493.25967	100.0
494.19012	0.7
494.26346	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2598
Annotation	Longipedlactone F
Peak:m/z	Relative Intensity
61.98816	16.1
71.29695	17.1
78.95932	16.6
85.06598	81.0
99.04551	35.1
122.03748	28.0
137.06079	100.0
138.06827	18.4
139.07642	51.8
165.01863	17.9
178.37498	14.6
180.68590	15.2
319.20651	19.3
363.19595	33.0
387.26953	85.1
417.15399	15.6
421.27191	23.1
427.43964	15.9
431.25983	17.0
449.27100	18.3
457.14145	16.5
493.25964	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.6
59.11117	1.1
59.98507	1.9
66.26778	1.1
69.03440	1.3
71.05004	1.2
73.02934	2.1
73.04571	1.1
75.90609	1.2
83.05033	2.5
83.32134	1.1
85.02925	1.2
87.00854	3.0
98.07214	1.2
99.04536	12.4
105.87517	1.2
109.06538	1.3
119.08663	8.3
119.30902	1.2
121.06579	2.3
122.03805	1.3
135.08180	2.0
137.09737	30.2
138.06894	7.8
139.07668	2.6
151.07635	4.2
152.99573	1.6
155.07101	1.6
185.08220	1.3
185.09676	6.3
229.19092	1.2
243.13660	1.3
259.21353	1.3
279.22473	2.6
319.20682	1.6
323.65561	1.3
324.13681	1.7
357.22177	1.6
368.04904	1.3
371.23798	3.5
377.28326	2.8
387.26959	43.1
388.27335	5.3
391.22729	1.6
403.26431	22.0
404.26913	2.7
421.27490	32.5
421.32809	2.5
422.27673	4.7
431.25909	26.7
431.31653	1.6
432.26315	2.6
449.27039	18.7
450.27356	2.6
475.24789	4.0
493.25977	100.0
493.32596	4.6
494.26199	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01723	1.3
70.60455	1.3
71.01387	8.6
73.02949	2.8
73.65224	0.5
74.72888	0.5
85.02972	3.1
88.41737	0.6
89.02439	1.4
95.01413	0.7
99.00927	1.1
101.02457	6.0
113.02477	3.5
143.03490	0.6
145.56409	0.8
159.03072	0.8
161.04562	10.7
168.47882	0.6
173.04593	0.6
191.05679	1.4
271.19461	0.6
319.08414	0.9
355.30450	0.6
392.56210	0.6
402.04517	0.6
422.23114	0.7
433.24432	12.3
434.25259	1.1
477.23663	1.2
493.26907	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.1
57.03439	4.3
58.00611	2.8
59.01386	100.0
61.98831	8.7
69.19299	16.8
71.01391	44.8
72.99307	2.6
73.02947	7.5
75.00871	2.0
78.95921	5.5
83.01401	7.7
85.02966	14.7
87.00871	4.2
89.02449	31.8
95.01381	3.9
96.96982	9.3
99.00891	4.2
101.02451	37.0
108.02162	2.4
113.02459	22.6
119.03494	16.8
125.02408	2.4
143.03513	6.2
159.03018	3.8
161.04549	18.4
178.30716	1.8
179.05679	14.0
191.05695	4.4
207.06697	2.3
271.19220	6.5
285.82123	2.0
317.12939	2.8
331.08441	2.6
331.11978	2.7
331.17667	4.6
361.18680	2.9
373.09283	3.1
433.24399	58.3
434.24808	5.4
451.25781	2.3
493.23413	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75460	0.8
55.01883	1.4
56.62865	0.9
56.63442	0.6
57.03450	1.7
59.01382	19.6
61.98841	0.9
69.07786	3.5
69.08215	3.6
69.37797	0.8
71.01028	1.4
71.01388	14.3
72.99290	1.4
73.02957	1.5
83.01384	1.5
83.21427	0.7
85.02950	5.7
87.00855	1.2
87.39486	0.7
89.02442	7.9
90.97189	0.8
95.01379	1.4
95.76910	0.7
98.22144	3.7
101.02446	9.3
113.02444	5.2
119.03497	2.2
127.11253	1.1
131.03456	1.1
149.04591	1.6
155.10866	1.0
161.04457	1.2
161.34288	0.8
167.10822	0.8
171.10271	3.0
223.17148	1.1
295.22800	2.1
313.23874	12.0
313.27188	1.2
329.23343	2.9
331.24942	27.3
332.25223	2.0
375.17966	1.1
405.58875	0.9
426.00739	0.8
441.63663	0.8
447.22650	0.9
493.30206	100.0
494.30606	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
57.03427	1.1
58.00567	1.0
59.01385	23.3
69.24251	3.6
69.24664	2.2
71.01390	11.7
71.01763	1.3
71.64136	0.7
73.02955	1.8
79.63245	0.8
83.01401	1.6
85.02968	4.8
89.02464	6.9
95.01435	0.7
98.22203	2.9
101.02464	7.0
103.70987	0.8
113.02468	4.2
116.82536	0.8
119.03513	2.4
125.02428	0.7
127.11256	1.9
131.03476	1.8
134.38850	0.7
143.10742	1.0
145.21771	0.8
155.10783	1.2
157.12286	0.9
171.10316	1.4
199.07648	1.9
281.47839	0.9
295.22748	2.1
302.30707	0.7
313.23819	11.8
314.24182	0.8
315.18018	1.4
329.23364	2.3
331.24927	30.0
332.25171	2.2
447.22464	0.8
493.30243	100.0
494.30615	9.5
503.76181	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16464	0.4
55.01866	0.7
56.85701	0.4
57.03439	0.9
58.00584	0.7
59.01382	21.2
65.68649	0.5
69.05865	2.3
69.06290	1.7
71.01385	14.6
72.99310	1.2
73.02958	3.5
83.01385	1.6
83.77995	0.4
85.02958	4.9
87.00874	1.3
89.02449	7.4
95.01418	1.3
98.21818	0.9
98.22504	1.2
99.00911	0.9
99.08165	0.5
101.02448	8.8
113.02460	4.3
119.03483	2.3
127.11314	1.0
139.11322	0.7
143.03497	0.5
155.10777	1.3
157.12344	1.0
161.04529	1.0
171.10240	2.7
196.67358	0.5
201.11298	1.1
209.15450	2.3
227.16570	0.6
277.21667	1.0
295.22800	1.3
313.23843	14.8
314.24216	1.1
323.00653	0.5
329.23346	3.6
331.24915	28.9
332.25293	2.3
356.74371	0.4
449.32840	0.6
475.29526	0.6
493.30209	100.0
494.30502	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51503	46.3
60.68214	44.4
63.53788	47.6
69.56525	43.2
71.21220	100.0
74.16367	41.9
79.31154	47.9
86.87476	52.0
120.87619	48.2
127.63379	53.1
135.16457	49.5
268.45050	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08496	100.0
96.36736	55.8
175.99942	52.5
179.09940	58.2
182.25539	61.1
207.94775	60.5
214.56482	56.2
234.19008	60.4
238.22197	58.6
249.06584	56.2
305.35889	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93413	0.4
54.45361	0.4
55.78063	0.5
61.98835	100.0
62.52740	0.4
64.01188	0.4
69.42696	2.1
85.02997	0.4
93.03486	1.3
98.13955	0.4
99.61481	0.4
116.83116	0.4
137.02470	3.4
149.73244	0.4
152.31956	0.4
181.62639	0.4
182.87477	0.4
191.70996	0.4
227.03513	6.3
229.05205	0.7
255.02997	7.8
256.03760	0.8
284.03278	9.1
285.04019	8.3
286.04926	0.5
431.09866	17.2
432.10431	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.9
61.98835	100.0
70.47153	1.3
80.91733	0.5
82.95488	0.5
93.03493	1.3
100.96962	0.6
103.46954	0.6
113.74302	0.5
114.50683	0.5
119.05083	0.8
120.05367	0.6
134.03769	1.6
135.04138	0.9
137.02484	1.2
149.06105	2.2
150.06519	1.3
163.04028	0.9
173.04620	1.0
197.08286	0.8
276.09888	0.7
337.09500	1.7
338.09839	2.6
398.75031	0.6
431.12085	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78876	100.0
78.95904	29.2
87.00881	29.4
87.14658	19.7
98.22572	27.8
105.07933	19.0
110.55184	22.6
123.08194	36.9
129.37251	21.5
136.85008	24.8
152.99548	30.1
199.14977	27.4
220.09721	23.3
234.19556	25.9
267.23331	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.7
61.98831	2.6
66.16394	0.9
69.09756	6.5
71.01358	0.8
77.82767	0.8
81.03477	2.0
83.04626	1.1
83.05017	6.5
85.02973	1.0
98.65688	0.9
107.43159	0.9
125.07230	1.4
133.11429	1.1
147.63866	1.0
172.11490	0.9
224.17668	2.0
225.16048	4.4
316.86322	1.0
324.26578	1.3
333.22842	1.2
405.15167	0.9
411.01065	1.0
413.18842	1.1
433.31775	2.6
434.24744	1.0
451.32932	100.0
452.33334	11.4
494.33493	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68549	0.5
55.79123	0.5
55.94012	0.6
57.03471	0.5
57.70617	0.5
59.01381	3.9
61.75167	0.5
64.41142	0.5
65.00315	2.2
68.15888	0.6
71.01372	2.5
71.27058	0.7
71.27470	0.7
72.99308	0.7
75.46088	0.6
79.48935	0.6
83.01379	1.6
89.00337	2.8
89.02438	1.7
93.49160	0.5
95.01403	2.1
101.02447	1.7
107.01395	2.2
113.02460	0.8
119.03500	0.8
121.02966	2.0
125.02470	1.5
129.03467	1.3
133.02977	0.8
137.02458	17.4
140.25882	0.6
143.05052	1.5
145.02975	0.9
151.00406	4.9
155.04985	0.7
157.02971	1.0
159.04527	2.5
161.02469	2.9
171.04532	2.8
175.04057	1.3
183.04515	9.9
185.02435	2.8
189.01778	0.9
193.05081	1.0
199.04013	5.1
201.01988	2.1
203.03458	3.0
214.02626	1.0
215.03522	1.7
227.03505	7.6
242.02148	2.7
243.02994	9.2
244.03596	1.2
245.04561	0.9
271.02499	100.0
272.02774	5.7
315.01459	0.6
321.04202	1.3
451.08463	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36258	0.6
59.01381	5.0
61.98820	2.3
63.02388	0.7
65.00337	3.4
65.22841	0.7
69.70460	2.5
71.01381	2.3
83.01398	2.2
85.02948	1.5
87.82203	0.6
89.00351	3.1
89.02445	2.4
95.01379	2.8
101.02470	1.6
102.57407	0.8
105.13237	0.6
107.01421	2.7
109.02950	1.0
113.02452	1.5
120.01295	0.9
121.02967	3.2
123.04552	1.0
125.02475	1.7
129.03481	1.4
137.02460	21.3
139.03999	0.7
143.05049	1.0
145.02982	1.3
151.00366	5.3
151.04085	1.0
152.01134	0.9
155.05002	0.7
157.02951	0.7
159.04514	3.0
161.02509	4.6
163.03999	0.8
167.03476	1.6
171.04512	2.8
173.02336	1.0
174.03203	0.8
175.04037	0.9
179.46420	0.6
182.03668	0.8
183.04524	11.0
185.02432	2.5
191.05612	1.2
192.00656	1.0
193.01466	0.7
199.03979	3.2
201.01910	2.3
203.03476	4.1
215.03503	2.6
216.04294	2.9
223.84264	0.7
227.03496	8.0
241.69281	0.7
242.02251	1.2
243.02997	7.8
244.03792	5.4
245.04552	4.8
246.01622	1.9
260.35507	0.6
263.76654	0.7
271.02499	100.0
272.02838	6.2
288.02673	1.0
289.03430	0.9
303.08658	0.7
347.40448	0.6
355.06757	0.8
407.09616	1.2
423.09537	0.8
451.08917	6.8
488.31525	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04859	0.3
55.01884	1.2
59.01371	1.2
61.98842	1.9
69.22006	0.7
69.22412	2.0
71.01370	1.4
71.05026	7.7
73.02953	0.4
75.40301	0.3
83.01392	1.9
85.02949	0.7
89.02447	0.9
91.40166	0.4
93.03475	0.3
95.01409	0.4
95.05035	2.6
97.02957	13.2
101.02479	0.9
108.02159	0.5
109.02956	0.6
113.02478	0.6
116.71399	0.3
120.99673	0.4
121.02977	1.3
123.04533	1.0
125.02449	0.7
135.04541	0.4
137.02455	4.5
139.04024	100.0
140.04356	2.6
152.01231	0.4
153.05507	0.4
157.45004	0.3
163.04010	2.9
163.78461	0.4
164.01196	0.5
165.01945	23.5
165.40134	0.3
166.02289	0.6
167.03505	1.0
167.63483	0.3
179.05809	0.3
181.05090	0.7
183.03029	1.4
189.01955	0.8
205.05197	0.3
207.02986	0.8
259.17426	0.3
259.23465	0.3
289.07187	5.9
301.09290	0.7
327.07245	3.1
333.13376	0.5
345.08282	32.2
346.08682	2.1
351.62384	0.3
451.12540	1.3
459.18802	1.7
495.11368	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1514
Annotation	Tetracentronside A
Peak:m/z	Relative Intensity
57.03450	0.8
58.00590	0.9
59.01379	9.1
59.59803	0.8
61.98835	6.6
65.00328	1.5
71.01391	9.0
71.27540	1.6
73.02941	0.8
78.95874	1.0
83.01387	1.2
85.02971	2.3
89.02460	7.9
90.39234	0.8
95.01412	1.2
96.92770	0.7
101.02451	2.7
107.01410	2.5
108.02183	25.4
111.00896	1.2
113.02456	2.4
119.03511	0.9
123.00886	1.1
123.04537	14.1
124.01655	1.2
125.02479	4.3
137.02446	1.2
139.04028	1.6
145.02988	4.5
149.02443	1.1
151.00400	8.0
151.03943	1.2
152.01164	57.5
160.05305	3.8
161.02504	1.0
161.04694	1.1
161.05992	1.0
162.03246	24.2
163.03850	1.0
165.01913	1.6
165.05539	1.1
166.02737	2.7
167.03505	100.0
168.03824	2.8
170.46030	0.9
177.05592	16.2
178.99852	2.7
179.20926	0.8
181.05096	1.7
191.05653	1.1
194.37041	0.8
195.06784	0.8
249.04036	1.2
300.02789	2.7
315.05093	5.2
327.08771	11.6
328.09036	1.3
331.00052	0.9
333.06216	4.7
337.03763	0.9
343.54865	0.9
369.06125	1.2
477.09015	0.9
495.10959	2.5
496.45776	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41646	0.6
59.01372	3.8
61.98831	4.8
70.74161	0.7
71.01394	3.5
71.86579	0.6
73.02959	1.6
78.95894	2.0
80.05080	0.6
85.02959	1.6
87.00869	0.7
89.02448	2.2
92.05041	1.7
93.03479	0.9
94.06656	4.1
96.96022	2.4
98.22547	2.6
101.02449	2.0
104.05079	2.7
105.03461	2.4
106.06638	12.3
106.67115	0.7
108.04560	2.1
109.85594	0.7
113.02427	1.6
119.03495	0.8
120.04567	4.8
120.99664	2.9
122.02506	1.0
122.06141	16.7
123.03264	2.2
124.07640	1.4
125.02461	1.1
131.03575	0.9
132.04550	6.6
134.06096	1.2
136.04088	1.1
138.05612	21.8
141.09195	4.1
148.04004	1.2
150.05615	5.1
152.07213	1.1
161.04555	0.7
162.05606	0.8
164.07172	1.2
166.05080	1.7
173.04593	0.7
174.12927	0.9
174.75494	0.7
178.58809	0.7
180.06702	1.9
186.85202	0.7
189.07997	1.2
191.05600	2.6
192.06734	1.9
200.10933	0.8
203.09412	0.8
206.04597	0.8
208.06187	1.2
213.06639	0.8
215.11850	1.3
217.07504	2.6
226.07593	1.2
229.09807	1.1
231.09206	1.2
231.11411	1.7
241.09821	3.1
243.11394	2.7
259.10797	1.3
271.10846	1.2
275.08221	0.9
289.11960	100.0
290.12204	5.7
299.02048	0.8
310.64935	0.6
317.11539	1.1
329.11508	0.9
333.10922	54.3
334.11368	3.5
341.37555	0.7
345.10867	2.7
347.12476	7.3
375.11945	18.2
376.12546	2.3
405.12970	3.4
435.14050	1.5
464.17950	0.9
495.16486	2.1
495.30716	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.1
61.98837	2.9
69.04398	5.5
71.01398	2.9
72.26687	0.6
73.02956	0.9
83.01436	0.7
85.02957	1.8
87.75066	0.5
89.02457	1.6
96.96019	15.1
101.02451	2.0
119.03546	0.5
125.02454	0.5
131.03580	0.8
136.88698	0.6
145.02934	1.2
161.04547	0.9
253.18098	77.5
254.18437	5.7
303.18192	1.2
333.13779	100.0
334.14188	6.8
353.46005	0.6
356.70535	0.6
357.77502	0.6
375.14966	1.6
477.28546	0.7
495.19080	74.4
495.30438	2.3
496.19345	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	7.5
59.01088	6.9
59.01382	100.0
61.98838	11.5
64.17132	3.4
69.24557	22.6
71.01387	45.6
73.02936	4.2
75.50194	3.2
78.95930	8.8
83.01411	4.5
85.02968	10.0
87.00896	5.2
89.02451	52.9
94.71226	2.9
95.05059	3.7
95.10387	3.5
98.21764	5.8
99.00923	4.8
101.02464	26.2
113.02467	13.2
119.03523	11.0
123.04539	4.8
125.02459	12.3
131.03510	37.1
136.05313	8.9
148.18472	3.0
149.04559	31.5
151.07793	3.5
152.84158	3.0
152.99600	16.1
165.06819	3.7
165.09253	4.9
179.05656	10.4
183.86674	3.1
184.40436	3.3
191.05605	18.0
315.09036	3.8
424.21466	3.9
495.27972	5.0
495.34229	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.4
61.98835	1.4
63.75278	1.2
67.01902	2.0
69.03464	27.4
71.01380	1.9
83.05036	67.9
84.83706	1.5
85.02934	3.3
96.54780	1.1
97.02962	100.0
98.03303	1.8
98.22528	4.1
99.04494	1.9
101.60483	1.4
106.40502	1.2
107.05013	4.7
109.06604	4.5
111.00905	1.7
113.02454	3.0
121.06587	4.6
123.04530	3.5
125.02470	2.5
125.09705	1.7
126.03236	8.9
127.04031	55.7
128.04346	1.7
130.04173	1.5
133.06602	1.6
135.04408	1.5
135.08176	9.5
135.70988	1.3
139.07652	1.8
147.08232	2.3
149.09711	8.5
153.05571	11.3
159.11795	3.8
163.07668	3.2
171.12012	1.5
172.08307	1.4
173.09818	1.4
175.07588	2.3
176.08467	2.0
177.09120	2.7
178.41960	1.3
191.10773	2.8
197.09624	1.7
199.11258	2.0
203.07057	2.6
211.14911	3.6
218.12152	1.6
229.16000	3.3
279.17404	1.7
281.15576	2.4
291.17883	1.5
295.16873	2.9
297.18677	1.9
305.19037	1.8
307.20663	3.0
319.17130	1.8
325.21509	2.8
327.21466	1.6
335.20035	5.5
341.17682	7.8
353.21188	11.4
367.19125	3.0
371.23749	2.7
389.24796	3.7
397.20233	95.9
398.20663	7.7
415.23029	1.8
433.23795	6.7
451.24615	4.5
477.22894	23.9
478.23502	1.9
495.23779	92.9
496.24051	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.9
61.98819	2.6
69.03445	8.7
70.94149	4.9
71.01357	3.4
73.02959	2.3
76.93733	2.2
83.05025	58.4
83.95817	1.8
85.02941	3.6
87.04504	2.1
97.02962	18.7
98.00091	2.5
99.04531	3.7
107.05031	9.9
109.02916	4.3
109.06639	4.3
111.04533	2.4
113.02435	3.9
118.01181	1.9
121.06593	8.7
123.04522	1.8
123.08189	3.5
125.02449	7.8
126.03242	4.3
127.04025	65.2
135.08125	2.8
136.05237	3.3
137.02437	2.4
137.06105	3.3
137.09668	1.9
139.07613	10.1
147.04512	2.6
147.08116	4.1
149.06056	4.7
149.09726	2.3
150.06863	14.0
151.04004	2.4
151.07628	2.5
153.05560	6.6
159.11891	2.0
161.09702	2.3
163.07683	2.2
164.08403	2.7
165.05576	2.0
175.07698	3.9
179.10747	5.6
211.14893	2.6
217.12381	1.9
227.14333	2.5
229.15935	3.4
243.10054	2.2
279.17499	4.1
341.17590	37.2
342.17987	2.8
349.21701	2.0
356.16260	2.4
367.19122	15.8
371.23920	2.4
378.21631	1.9
389.24759	4.8
407.26035	4.2
408.48264	2.0
415.22864	2.4
433.24396	3.2
451.24908	25.2
452.25488	3.0
477.22537	5.2
495.23792	100.0
495.36188	16.7
496.24179	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26732	0.6
57.03448	0.8
58.00596	0.9
59.01094	1.0
59.01385	17.9
59.98516	0.6
61.98827	1.5
63.24455	0.5
69.03457	1.0
71.01389	12.0
72.99290	2.0
73.02956	9.7
75.00871	0.6
78.95914	3.3
83.01408	1.2
85.02957	6.0
86.00108	0.9
87.00893	6.5
87.04521	2.1
89.02454	5.2
97.02946	1.0
99.00907	1.1
99.04508	1.0
101.02454	9.0
103.04014	2.5
107.85728	0.5
109.02973	0.6
113.02475	3.4
115.04010	3.9
119.03480	1.5
123.04559	1.2
125.02437	2.2
131.03522	8.0
139.07709	0.9
139.11357	0.6
141.12872	23.5
142.13177	0.7
143.03513	7.7
145.05064	1.2
149.04591	1.1
151.04013	1.1
152.99657	2.6
160.32722	0.5
163.06171	3.0
165.01938	0.5
169.12364	2.6
171.13893	1.5
174.68681	0.5
179.05595	0.6
183.13873	1.9
187.13420	37.2
188.13762	1.1
205.05319	0.5
205.07210	8.3
232.27771	0.6
248.44182	0.6
289.55029	0.6
315.08838	1.6
413.20016	1.2
459.22458	1.6
477.28058	0.8
495.24487	100.0
496.24854	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31888	1.8
63.24145	1.7
66.58657	1.7
69.11153	4.3
69.11561	11.8
78.66288	1.7
78.95908	60.3
90.47064	1.8
91.63007	2.1
96.96964	3.9
98.22613	3.5
112.12680	1.8
126.51397	2.2
137.80246	1.8
147.59099	1.8
152.98370	4.1
152.99603	73.0
153.99940	2.6
171.00638	21.2
181.84740	2.0
227.03322	2.7
245.04317	100.0
246.04594	2.5
267.23288	58.8
268.23715	2.1
281.24792	12.4
340.33142	2.2
495.27200	28.0
495.33530	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.01361	2.6
69.03460	2.8
69.10681	8.8
79.89959	1.1
83.05009	3.0
85.02979	1.9
97.02942	6.7
99.04540	6.8
107.08655	1.6
125.06113	1.2
127.03989	1.2
129.05609	1.6
132.01926	1.1
133.06592	1.1
135.08116	1.3
137.06064	2.2
137.09721	4.8
138.06909	2.8
139.07663	20.0
151.07608	2.0
151.11308	1.0
152.04814	2.3
153.05595	1.7
168.05301	1.1
299.20258	1.9
366.88611	1.0
389.28635	2.0
393.24329	1.1
407.29752	1.2
433.27347	3.8
451.28583	15.5
452.29019	1.2
477.26270	2.6
495.27505	100.0
496.27734	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88348	1.4
57.03449	3.4
67.07455	1.3
69.03483	2.6
69.04157	14.6
76.85004	1.6
99.04544	13.6
121.06578	2.4
123.08148	1.4
135.08182	10.0
137.09708	2.9
138.06879	7.9
149.09714	2.9
163.11322	1.8
173.35681	1.5
175.11247	2.0
257.19205	2.7
269.18933	7.5
281.60321	1.6
379.30127	28.4
380.30188	2.9
405.27982	10.0
407.29593	6.2
423.29074	52.8
424.29388	6.5
433.27435	3.0
449.26971	2.6
451.28680	13.9
453.26343	4.3
460.89352	1.5
477.26166	2.8
495.27548	100.0
496.27783	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2757
Annotation	Absinthin
Peak:m/z	Relative Intensity
57.03443	2.7
59.01377	1.8
59.98511	1.7
61.46703	0.5
69.03452	1.6
69.18224	2.3
69.18642	1.6
78.58793	0.5
83.05022	1.1
85.02974	0.6
85.06577	0.9
88.19151	0.5
90.36534	0.4
97.02957	6.7
97.06588	1.2
97.61610	0.4
99.04522	1.4
111.04582	1.0
111.08176	2.8
119.08689	0.5
123.08194	0.9
126.03226	0.5
137.06079	0.6
137.09781	0.5
138.06889	11.1
139.07675	4.5
145.10211	0.7
151.07626	0.5
163.11426	0.5
187.11301	1.4
261.16544	1.1
299.16876	0.5
320.22098	0.4
347.27609	0.5
358.82428	0.5
363.27017	0.7
365.28519	2.1
371.27438	1.3
389.28604	2.0
391.26547	2.1
407.25903	1.3
409.27612	3.7
415.26443	1.2
419.22360	1.8
433.27576	13.1
434.27975	1.8
435.25677	3.1
437.23416	3.8
438.24130	0.5
451.28635	10.5
452.28995	1.2
453.26495	28.9
454.26895	2.8
471.90591	0.5
477.26334	2.4
495.27573	100.0
496.27954	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	1.6
59.01387	8.8
59.98536	7.7
69.03446	3.3
71.31026	1.2
82.88559	1.2
83.05022	6.3
90.41988	1.1
97.02948	1.8
99.04538	10.9
107.05156	1.4
109.06599	2.6
111.04536	4.2
111.24472	1.1
116.49879	1.1
123.08143	1.4
133.92305	1.5
137.06082	2.1
138.06891	19.2
139.07669	23.5
140.08000	1.4
148.50175	1.3
153.05650	1.3
157.10265	1.7
159.11769	1.2
169.10191	1.8
171.08089	1.2
185.09726	1.5
187.11255	3.2
217.83299	1.2
324.45343	1.4
349.25339	3.3
371.27652	1.9
377.28348	1.9
387.65216	1.2
389.24240	1.9
389.28769	8.7
393.24536	13.1
397.25336	1.5
400.19693	1.2
415.26465	4.8
421.27402	4.2
433.27570	35.9
434.27853	4.6
451.21802	2.2
451.28506	31.6
452.28720	2.7
459.25461	3.8
477.26505	100.0
478.26855	13.5
495.19977	2.6
495.27365	38.8
496.27551	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72896	0.4
57.03465	0.5
59.42028	0.5
59.61897	0.4
60.89576	0.5
67.23165	0.4
67.94588	0.5
68.39024	0.4
69.03444	1.1
69.05051	0.9
69.05449	3.0
71.05024	0.9
80.06293	0.4
102.56644	0.3
112.20010	0.4
139.07660	100.0
140.07996	3.1
147.92201	0.4
152.69623	0.5
156.80170	0.4
183.44569	0.4
293.19153	0.4
311.20056	1.2
311.56567	0.4
355.19296	0.7
389.28363	0.5
407.29819	0.6
451.28650	4.5
452.28967	0.6
477.26587	1.3
495.27573	42.1
496.27988	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34300	0.5
59.01197	2.5
59.01532	4.0
59.98366	1.4
74.59885	0.6
83.04851	1.2
83.16409	0.7
84.52645	0.6
98.73245	0.7
99.04303	1.8
99.04897	1.3
111.04359	1.0
126.79944	0.6
138.06584	10.9
138.07736	1.7
139.07359	13.9
139.08557	2.0
153.05302	0.8
169.10036	1.1
187.11072	1.0
244.26224	0.7
245.15353	0.7
300.59283	0.7
355.19321	3.3
371.27411	1.0
389.28510	3.9
392.48254	0.7
393.37650	0.8
415.26349	2.0
416.27417	0.8
433.27509	8.6
434.27997	1.0
451.28522	4.2
452.28711	0.9
459.25427	2.5
476.26837	0.7
477.26489	100.0
478.26816	11.1
495.20139	1.5
495.27545	25.8
496.27936	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
65.17922	1.3
69.52999	4.4
69.53407	3.4
75.10649	1.4
85.02950	3.3
95.05065	1.7
97.02926	1.7
97.06618	1.7
99.04540	2.7
105.07122	1.9
111.04498	3.8
123.08118	2.4
142.40773	1.6
178.39702	1.4
233.76920	1.6
281.19119	2.1
293.19269	3.1
339.23221	2.0
371.27420	3.1
389.28577	10.5
390.28714	1.9
407.29605	2.8
433.27493	6.2
451.28540	53.2
452.28854	5.0
477.26495	5.4
495.27570	100.0
496.27878	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01199	1.6
55.93645	1.4
56.68894	1.4
59.01390	3.4
59.98522	8.0
59.98963	1.3
69.04851	7.6
69.05280	7.0
73.42520	1.7
78.95901	2.2
83.05038	8.0
93.03510	2.1
98.22511	4.3
99.04539	11.7
105.07095	3.5
111.04527	6.9
123.08176	3.1
138.06879	47.3
139.07652	15.7
143.60280	1.5
152.99599	4.4
153.05582	4.5
161.13277	1.9
162.06879	2.7
172.05229	2.4
180.65863	1.6
187.11339	3.2
191.05621	11.7
209.11826	4.6
281.10294	2.7
283.13495	3.9
325.17902	2.2
329.47476	1.7
371.27441	6.8
389.24487	2.6
389.28662	25.6
390.28909	2.7
399.15039	2.6
405.27872	2.2
415.26416	5.6
433.27481	75.0
434.27856	7.3
451.28540	32.3
452.28992	5.6
477.26538	58.0
477.33487	3.1
478.26651	9.0
495.27573	100.0
496.28223	9.9
509.19769	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2758
Annotation	Caruifolin D
Peak:m/z	Relative Intensity
61.98823	21.1
63.98013	11.3
67.11746	10.2
69.00037	60.5
69.00468	52.1
71.74570	13.7
72.20909	12.2
75.43266	13.0
78.95914	44.0
82.64341	11.2
98.00130	13.3
99.04592	11.3
111.18690	11.1
114.09039	12.9
121.35661	11.6
137.09735	17.2
144.06311	11.0
151.07668	32.9
152.99623	67.4
181.06358	11.7
199.23639	10.2
225.47006	11.5
357.78738	12.9
369.95490	12.9
410.24066	17.0
437.50998	11.2
451.28659	11.7
495.27481	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2759
Annotation	Caruifolin D
Peak:m/z	Relative Intensity
57.03437	3.6
59.01364	2.2
61.98826	1.8
67.01884	1.3
69.03463	14.8
71.05011	1.2
81.77097	1.4
83.05028	28.6
85.02957	3.2
86.58984	1.5
95.05019	2.2
97.02956	67.1
99.04514	10.9
107.05104	1.6
109.02992	1.6
109.06601	5.9
110.34599	1.3
111.08180	2.1
112.01663	2.3
113.02457	3.2
121.06583	1.9
123.04539	5.4
123.08196	2.3
125.02441	2.9
126.03247	4.2
127.04029	31.9
135.08124	1.7
137.09721	3.1
139.07657	10.8
145.06627	1.7
151.07695	3.6
153.05577	21.9
163.07669	1.4
171.08229	2.8
191.10718	1.3
199.11266	1.5
229.20253	1.9
257.19138	2.8
267.17523	2.3
281.19031	1.6
295.21066	1.9
297.22256	20.9
298.22406	2.2
299.20139	3.5
324.07452	1.3
341.21213	82.5
342.21533	8.9
349.25504	2.8
355.23541	1.4
364.48834	1.5
367.22684	2.5
381.24509	4.0
389.28363	5.2
397.23956	9.7
407.29538	3.9
433.27347	6.0
437.23471	5.3
451.28616	36.9
452.29129	2.9
477.26270	2.7
495.27341	100.0
496.28052	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52490	41.7
63.83262	40.2
64.40902	40.1
66.87585	45.8
68.37218	40.6
70.83174	100.0
71.49383	37.8
115.27101	46.7
134.11491	45.1
264.42450	41.7
350.52756	50.2
352.30685	49.5
477.50232	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	39.7
62.71344	3.3
68.98742	5.8
68.99143	36.8
70.59538	3.7
79.77515	4.1
90.37764	3.3
91.21970	4.1
113.09665	4.2
126.83583	3.6
151.00378	14.1
178.99855	7.6
217.25488	3.7
227.03630	5.0
243.02972	7.2
249.97438	4.1
253.49725	3.8
255.02948	27.0
271.02487	57.3
272.03128	4.9
300.02756	100.0
301.03558	79.8
423.56943	4.1
433.07773	97.0
434.07974	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98519	4.0
61.98836	76.1
69.01781	19.2
69.26315	1.9
71.01344	2.2
86.29057	1.9
90.02219	2.0
91.05510	2.0
98.21855	5.3
107.01381	2.7
109.02957	4.3
117.70204	2.1
120.99659	4.8
121.02908	3.2
126.02193	1.9
148.01711	2.2
151.00398	17.6
154.18466	2.4
156.53989	2.0
163.00351	4.5
178.99817	6.6
226.02809	2.4
243.02971	11.8
245.04486	3.1
255.03009	25.8
256.86694	2.1
263.66330	2.3
271.02521	52.6
272.02957	5.0
283.02554	3.3
300.02768	82.0
301.03522	84.2
302.03940	5.6
433.07797	100.0
434.08234	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.11
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20624	1.4
61.98835	100.0
62.19888	1.7
69.39954	3.6
69.40354	7.6
129.85274	1.5
237.64146	1.8
361.27734	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64190	0.6
51.66693	0.7
57.03464	0.8
59.01374	1.4
61.98836	100.0
71.01369	1.0
71.32238	1.3
89.02428	0.7
114.16708	0.8
125.02502	2.6
138.38185	0.7
141.09291	1.2
150.27640	0.7
151.00464	2.2
152.01189	4.9
166.05156	1.7
178.99872	6.4
194.65767	0.7
230.91806	0.7
259.06174	2.3
269.04556	4.0
287.05719	1.2
433.11438	11.6
434.12061	1.7
497.17239	0.9
512.82776	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.11
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75041	0.9
56.54193	0.8
61.98835	100.0
68.38116	0.7
69.18291	6.1
84.67042	0.8
85.62167	0.8
93.03474	12.6
94.03800	4.6
126.87505	1.0
129.00781	0.9
137.02466	19.4
138.02815	8.5
202.96547	0.8
239.43346	1.0
242.77637	0.8
273.31534	1.1
300.04910	1.0
392.49176	1.0
397.81320	1.0
404.50546	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84849	4.1
61.98829	6.3
69.27461	27.9
70.48896	4.1
74.86722	4.6
78.95914	53.3
84.22749	4.1
96.97019	4.5
99.35675	4.2
103.91930	4.9
114.68769	4.3
152.99591	100.0
171.00674	7.8
181.35545	4.2
194.08284	4.2
215.40747	4.3
280.81519	4.2
375.28271	4.3
390.51913	5.9
433.23688	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
61.98832	100.0
71.01400	0.7
71.31577	0.2
71.31977	0.3
72.78713	0.2
88.98859	0.3
89.02485	0.5
96.96020	0.3
97.07339	0.2
99.04498	0.3
101.02486	0.4
132.18213	0.2
141.09204	0.5
149.55576	0.3
154.67580	0.2
191.05582	0.3
220.75212	0.3
293.08899	0.3
300.02899	0.4
301.03333	0.5
433.07892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85279	8.6
59.01385	56.7
61.98838	13.6
64.59964	8.6
69.01947	100.0
69.03429	9.7
71.01376	24.4
73.02956	14.5
75.39875	7.9
77.37945	9.5
82.20421	8.8
89.02471	46.7
97.02970	40.3
98.22639	15.1
99.04532	12.9
101.02461	14.8
111.04507	10.7
113.02477	12.8
118.16902	9.2
119.03502	10.0
122.25722	8.7
127.04029	11.1
139.07617	22.3
179.05725	13.1
258.15253	9.6
487.09656	9.9
496.23962	26.8
497.25790	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
60.70497	26.8
63.02922	25.2
66.50087	26.1
69.85239	23.3
72.54356	24.9
83.05049	36.5
86.41389	24.9
98.34373	27.5
111.04530	100.0
167.60156	26.4
408.35840	26.3
441.67169	27.8
452.34766	51.0
496.28043	48.8
496.34796	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87183	0.6
55.01879	2.7
59.01374	2.0
67.42295	0.8
69.03450	2.0
69.60581	3.8
71.01383	1.6
71.05025	12.7
75.00870	1.2
83.01392	1.2
85.02940	1.2
89.02427	1.4
93.03448	0.8
95.05029	28.8
96.05371	1.4
97.02959	39.0
98.22510	1.0
101.02433	1.0
103.31806	0.8
111.11031	0.6
115.04019	4.6
121.02977	1.6
123.00854	1.0
124.01675	2.4
125.01537	1.7
125.02457	31.2
126.02821	1.2
135.04514	3.2
136.25580	0.7
137.02446	2.9
137.52077	0.6
139.04027	87.7
139.55556	0.6
140.04350	2.4
150.89705	0.7
161.02426	0.7
165.01941	14.8
168.00620	3.7
169.01440	60.6
170.01759	0.9
179.03503	3.5
183.02995	100.0
184.03310	3.7
191.05614	2.8
209.01022	1.2
239.39317	0.7
298.40884	0.8
331.06714	98.2
332.07040	6.1
335.04160	0.9
335.07718	2.3
371.48654	0.7
410.31186	0.9
439.00797	0.7
453.10352	0.7
497.09265	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87183	0.6
55.01879	2.7
59.01374	2.0
67.42295	0.8
69.03450	2.0
69.60581	3.8
71.01383	1.6
71.05025	12.7
75.00870	1.2
83.01392	1.2
85.02940	1.2
89.02427	1.4
93.03448	0.8
95.05029	28.8
96.05371	1.4
97.02959	39.0
98.22510	1.0
101.02433	1.0
103.31806	0.8
111.11031	0.6
115.04019	4.6
121.02977	1.6
123.00854	1.0
124.01675	2.4
125.01537	1.7
125.02457	31.2
126.02821	1.2
135.04514	3.2
136.25580	0.7
137.02446	2.9
137.52077	0.6
139.04027	87.7
139.55556	0.6
140.04350	2.4
150.89705	0.7
161.02426	0.7
165.01941	14.8
168.00620	3.7
169.01440	60.6
170.01759	0.9
179.03503	3.5
183.02995	100.0
184.03310	3.7
191.05614	2.8
209.01022	1.2
239.39317	0.7
298.40884	0.8
331.06714	98.2
332.07040	6.1
335.04160	0.9
335.07718	2.3
371.48654	0.7
410.31186	0.9
439.00797	0.7
453.10352	0.7
497.09265	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1312
Annotation	Sodium methotrexate
Peak:m/z	Relative Intensity
57.03438	2.1
59.01387	9.7
61.98837	8.3
69.08073	16.3
71.01374	11.7
73.02937	4.8
75.00861	4.3
81.03438	2.4
83.01407	2.2
83.05035	2.6
85.02956	6.4
87.00833	4.8
89.02439	5.6
93.03463	19.2
94.18147	2.1
96.95994	2.7
97.02956	2.4
99.00869	2.9
101.02436	6.5
109.02946	3.9
111.04520	2.1
113.02466	2.8
117.03476	13.1
119.05036	49.7
123.04485	2.5
125.02392	2.8
129.01920	6.9
133.06580	3.2
135.04500	5.6
137.02464	4.9
139.04022	2.5
143.03502	2.1
145.02968	100.0
146.03290	3.0
147.04613	1.9
149.02434	1.7
155.03505	2.2
159.03000	6.1
161.02472	2.7
161.04675	3.3
161.06036	6.8
163.04027	56.5
164.04428	2.9
165.05612	2.5
171.08186	1.9
173.04533	3.2
175.07526	1.8
175.11821	1.9
177.04045	4.3
179.03461	3.7
183.02948	1.8
187.07657	2.8
191.05682	11.0
195.08185	2.1
201.92662	1.9
203.07216	2.3
205.05025	2.5
211.07631	2.4
213.09215	3.8
215.07202	2.2
221.64084	1.5
231.10194	2.9
237.19540	1.8
275.09180	7.3
289.07446	1.8
293.10248	5.3
298.91974	1.7
299.52716	2.0
319.08118	5.4
323.07761	70.0
324.08185	2.8
327.69208	1.8
337.09344	43.2
338.09790	3.1
365.18112	4.6
479.12430	2.5
497.12827	57.7
498.13367	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82084	0.7
59.01386	1.3
71.01385	1.4
71.12484	0.9
85.02958	10.7
87.00874	2.2
93.03458	3.4
93.12562	0.9
109.02954	1.1
114.75812	1.1
125.02459	2.3
127.04044	2.7
136.25107	0.8
137.02463	1.8
139.03983	1.6
161.33919	0.8
171.03001	0.9
173.04526	1.5
184.29062	0.9
191.05629	100.0
192.05928	2.8
197.76192	0.8
227.35742	1.0
279.02133	0.8
283.55731	0.9
285.01025	1.0
305.06702	2.2
307.36435	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	48.1
61.98830	48.4
69.31892	69.8
69.32311	36.2
71.01397	28.0
74.72371	15.5
83.11784	15.4
89.02467	48.8
125.02488	24.0
137.02437	26.4
147.83449	15.8
149.04576	19.4
165.02026	18.3
165.09222	32.0
167.10815	100.0
206.26263	20.1
237.22893	18.5
238.11472	15.4
292.23648	15.2
293.08826	48.5
315.40060	15.6
329.06573	43.8
349.15991	18.5
454.84317	17.4
497.16507	22.3
497.21939	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	12.0
61.98837	14.1
65.08801	1.8
71.01389	19.3
71.29630	3.0
73.02933	5.3
78.91902	1.8
83.01372	4.5
85.02950	7.4
89.02448	4.6
97.33277	2.1
98.06873	2.1
99.00887	2.0
101.02448	9.9
113.02471	4.1
123.00909	3.6
124.01677	5.0
125.02454	9.9
137.02438	2.4
149.06088	1.8
149.99590	4.3
161.04628	2.8
167.10794	8.7
168.00687	8.9
247.75226	1.7
261.18677	2.9
263.20126	8.3
295.19092	2.0
329.06473	3.7
335.22302	15.6
425.25259	4.6
435.14697	3.9
449.15247	3.6
497.16510	16.2
497.27545	100.0
498.27863	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.18
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	42.0
59.96005	3.1
69.16498	14.0
69.16929	13.3
71.01387	33.8
71.51451	3.2
71.98055	3.6
71.98465	3.2
73.02933	17.8
76.77772	3.0
85.02968	10.4
89.02446	73.7
99.00888	47.3
101.02442	13.3
113.02460	31.6
131.03506	12.9
135.08119	3.8
143.03503	8.0
149.04564	100.0
151.07643	4.1
161.04561	14.2
167.10791	40.2
182.93576	3.3
184.71715	3.4
191.05630	24.9
233.06718	43.7
293.08762	40.2
311.09891	18.0
335.22308	12.3
454.00189	3.6
479.29843	5.9
497.17911	4.5
497.30954	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	1.7
57.03459	1.6
59.01376	13.1
61.98843	15.7
69.06776	13.1
71.01109	1.6
71.01392	17.7
72.99327	1.5
73.02946	6.1
78.55859	1.3
78.91888	3.1
83.01395	4.2
85.02945	8.3
85.41924	1.5
89.02444	4.7
99.00883	2.2
101.02465	11.9
101.56729	1.6
113.02454	5.3
123.00936	3.6
123.04516	2.1
124.01656	4.9
125.02465	11.2
137.02423	2.9
149.99602	4.6
164.72649	1.7
167.10793	11.4
168.00662	7.8
169.01393	2.3
188.61055	1.7
261.18640	3.8
263.20132	7.0
295.19308	2.6
329.06406	6.8
331.31400	1.6
335.22226	13.9
363.22043	1.7
373.12885	2.0
403.17728	3.2
409.07715	1.8
425.15607	2.3
425.25461	7.1
435.14758	1.9
449.15274	3.4
457.24533	2.5
461.94394	1.9
497.16647	19.6
497.27597	100.0
498.27820	11.2
514.27454	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78904	0.8
55.01872	0.9
57.03447	2.5
58.00594	1.4
59.01381	41.1
61.98840	9.3
69.35502	5.0
71.01389	21.4
73.02946	4.9
81.03468	1.5
83.01379	0.9
85.02956	2.4
89.02454	34.1
93.03470	1.2
97.02956	2.2
98.07598	0.8
99.00945	1.7
101.02442	11.4
112.10802	0.8
113.02470	3.5
119.03536	2.2
123.08289	0.9
125.02460	12.6
131.03513	19.3
143.10788	100.0
144.11136	3.1
149.04568	14.4
188.57933	1.0
191.05646	5.2
201.09164	1.2
215.10799	1.4
233.06491	1.0
255.13779	1.5
293.08795	14.4
294.09164	1.1
317.13931	3.4
335.15164	0.9
395.18948	1.3
400.53870	0.9
435.21945	1.5
437.20416	4.9
439.17563	2.9
469.22003	1.5
479.20700	2.1
497.21649	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19639	1.5
55.01877	4.2
57.03451	3.9
58.00600	1.9
58.73581	1.5
59.01093	3.0
59.01384	50.7
61.98838	12.7
65.14320	2.1
71.01389	54.2
71.12175	2.6
71.12497	2.3
72.99313	5.3
73.02952	15.2
80.91702	10.1
83.01397	5.7
85.02960	22.2
87.00880	4.4
87.04582	1.7
88.43793	1.7
89.02454	12.0
93.03482	3.6
93.27653	1.9
95.01422	3.1
96.96031	2.6
99.00899	8.0
101.02457	40.3
113.02466	18.6
119.03564	2.1
120.99638	3.1
125.02453	3.0
131.03506	15.8
137.02460	2.0
143.03514	3.2
148.55118	2.1
149.04602	4.5
150.96352	1.6
159.03017	6.1
161.04573	33.0
173.04559	7.5
174.03369	2.4
191.05644	7.2
229.08636	2.7
232.49699	1.9
279.12341	2.0
305.16071	100.0
306.16428	5.2
319.17526	2.6
323.11517	2.0
325.17023	2.2
349.11243	2.6
381.48233	1.9
437.20258	24.4
438.20905	2.9
451.25439	6.2
455.14206	2.1
497.16373	4.1
497.24161	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35168	2.5
57.03437	5.8
59.01369	2.5
67.01905	2.6
69.03477	20.9
69.06207	6.4
69.06616	20.7
71.01383	6.4
71.05006	2.2
72.99305	2.8
79.05513	2.6
81.03481	3.1
81.84847	2.4
83.01389	3.5
83.05020	3.9
87.00890	2.6
90.61047	2.7
95.05068	3.0
97.02955	35.9
97.06593	7.7
98.00089	11.8
98.03726	2.5
98.22535	5.9
99.04549	12.7
107.05043	4.4
108.02239	2.8
109.06593	5.3
111.04503	4.6
111.08179	22.5
113.06088	3.9
121.06590	5.1
123.08163	10.5
125.06135	5.2
126.85002	2.5
127.17699	2.3
135.08121	4.0
137.09743	3.0
139.07663	55.1
151.07666	10.8
151.11317	2.7
153.05582	32.5
154.06342	2.9
155.07161	20.4
159.08191	2.8
163.11180	2.8
173.09708	2.7
189.12819	3.3
191.10803	3.1
217.15990	5.9
219.24504	2.4
231.13928	3.6
241.15965	8.7
243.14035	4.7
255.17607	5.2
261.14923	4.8
279.17526	3.0
297.18567	5.4
301.18246	3.3
313.18127	3.7
319.51498	2.4
335.23868	3.1
340.17484	2.5
341.17569	54.1
342.18005	5.7
343.19113	10.2
351.26953	4.9
353.21182	2.8
357.16776	3.1
369.97495	2.9
391.26724	5.4
395.22067	11.2
435.25177	8.2
435.29953	4.2
453.30130	15.9
479.28003	8.5
497.29074	100.0
498.25293	8.1
498.29465	10.3
515.29694	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22244	0.4
55.01859	0.6
57.03450	3.8
58.98973	0.4
59.01370	1.1
60.42694	0.4
69.03150	0.5
69.03467	7.0
71.01383	4.8
73.02934	0.6
76.87215	0.4
79.05517	0.8
81.03450	0.6
83.01398	0.9
83.05029	8.9
84.49995	0.4
93.03487	0.8
93.07109	2.2
95.05031	2.7
97.02970	4.4
97.06590	0.7
98.03749	2.9
99.04519	2.2
101.02451	6.7
107.05046	0.7
109.03001	0.6
109.06570	3.3
111.04552	0.7
111.08168	43.1
112.08486	0.6
113.02426	0.6
114.53618	0.4
116.21183	0.4
119.08595	0.5
121.06590	1.5
123.08188	4.3
127.07664	1.8
128.97733	0.5
133.06615	1.0
135.08151	0.7
137.06076	1.2
139.07639	3.2
141.09216	1.4
149.09715	1.2
151.07669	1.0
151.11317	0.8
155.07156	7.6
157.10187	0.5
171.06696	0.7
173.09682	0.9
175.11246	0.6
177.09126	0.6
179.10762	0.9
180.38989	0.5
185.09743	0.5
191.10675	0.9
199.11435	0.5
199.14977	0.6
213.16510	1.9
231.13956	0.7
239.14406	1.9
243.13947	1.9
255.17499	1.4
257.15375	0.5
265.16272	0.8
279.17542	1.6
279.40985	0.4
281.18973	1.4
288.53421	0.5
297.18594	2.1
311.16641	0.8
333.22147	0.8
341.17538	7.3
342.18039	0.8
351.23053	1.2
373.25284	1.4
373.49094	0.5
391.26483	1.7
395.22263	1.5
435.24930	3.1
453.26395	9.6
454.26425	1.3
479.24408	1.3
497.25394	100.0
498.25818	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42903	1.8
55.01880	3.0
57.03441	2.7
58.00602	2.2
59.01383	82.0
61.98845	10.7
69.03440	2.1
71.01389	50.2
71.32469	2.8
72.47614	1.8
72.99313	3.6
73.02962	18.7
78.95904	12.2
83.01385	9.2
83.05003	2.5
85.02962	20.9
87.00878	2.4
89.02482	11.0
95.01400	2.6
96.96993	1.9
97.02984	1.9
99.00889	6.5
99.04549	3.8
101.02448	41.5
111.04524	2.7
111.78507	1.9
113.02459	18.8
119.03524	3.3
125.02451	4.1
127.04086	2.1
131.03511	36.9
135.08191	4.1
137.02412	2.8
137.09660	2.0
139.07634	4.9
151.07664	2.6
152.99593	23.2
161.04584	19.4
171.10300	3.7
173.04527	2.7
201.11365	4.5
203.87119	1.6
278.67810	2.4
305.19711	100.0
306.20071	7.2
335.15079	4.4
360.80286	2.3
437.23886	25.1
438.24384	2.7
461.28918	2.3
479.24130	2.6
479.30316	5.3
497.25580	21.2
497.31635	11.7
498.26532	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43747	2.2
54.46409	1.9
55.01873	7.2
57.03433	5.2
59.01385	68.4
63.92930	2.0
65.39806	2.4
67.08869	2.0
68.17992	1.8
69.03461	2.7
71.01033	3.2
71.01389	41.0
73.02953	21.6
73.69659	1.9
78.87750	2.0
83.01397	14.1
85.02953	21.9
89.02459	12.3
93.03480	6.1
95.01382	4.0
97.02937	4.9
99.00880	7.9
101.02451	54.4
103.04022	2.7
109.06597	3.2
112.59465	2.3
113.02480	16.5
119.03492	2.9
121.06482	2.0
125.02435	6.1
143.03484	3.9
147.08099	2.0
149.04565	3.2
159.02953	3.9
161.04611	15.2
161.05821	3.7
167.10757	6.5
201.09132	3.2
233.06598	2.6
275.62631	1.9
291.18176	75.4
292.18484	6.8
293.08755	10.0
299.13098	2.7
317.13950	11.4
323.74002	2.0
329.06332	4.9
435.21671	2.4
437.23972	100.0
438.24216	9.2
439.17429	3.0
479.20703	5.8
497.21579	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93069	1.2
54.19457	1.4
55.01871	2.3
57.03445	4.6
58.00598	1.5
59.01382	64.7
59.08193	1.3
61.98835	8.1
71.01386	30.3
71.01749	1.1
71.32215	2.0
72.99297	1.6
73.02948	15.1
78.65395	1.3
78.95905	6.6
83.01393	8.4
83.05042	1.6
85.02950	18.4
87.00896	2.8
89.02452	4.6
90.89274	1.5
95.01395	3.0
97.02946	2.3
99.00879	5.5
99.04529	2.1
99.09057	1.1
101.02449	37.9
109.03025	1.5
113.02452	14.3
125.02467	3.1
131.03513	35.8
137.06104	1.5
139.07678	7.3
143.03514	1.7
151.07648	3.8
152.99582	8.6
159.02962	2.8
161.04599	10.5
191.05577	1.8
203.10779	2.4
305.19724	100.0
306.20010	4.7
349.60733	1.4
437.23801	9.8
479.30093	5.3
497.25430	15.0
497.32312	1.7
498.25717	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2757
Annotation	Pierisformoside A
Peak:m/z	Relative Intensity
51.06396	0.4
55.01868	1.1
57.03432	1.3
58.00566	0.6
59.01382	11.5
61.98826	5.6
69.03048	4.2
69.03410	0.7
70.04774	0.5
71.01385	17.3
71.05015	0.6
72.99277	1.1
73.02948	4.5
75.00848	1.4
78.91880	1.0
78.95879	0.8
80.91673	1.2
82.40002	0.4
83.01398	3.4
83.04993	0.4
85.02948	6.7
85.13786	0.4
86.00082	1.1
87.00861	1.4
89.02447	3.1
93.03457	0.7
95.01364	1.2
97.02943	0.6
98.53258	0.4
98.95587	0.6
99.00859	1.4
99.04529	0.8
101.02447	10.2
109.02999	0.4
109.06618	0.9
111.04505	0.6
113.02442	5.2
119.03478	1.1
120.99683	0.6
123.04449	0.6
124.01656	0.4
125.02431	1.5
128.69159	0.4
135.04475	0.9
136.99063	0.5
149.05945	0.5
151.04036	0.5
151.07643	1.2
161.04510	1.1
165.09229	0.9
169.62910	0.4
173.04521	1.6
173.05891	0.4
177.01794	0.5
179.03368	0.5
191.05611	0.9
205.08803	0.4
206.04520	0.8
235.16995	0.6
261.18591	3.8
263.20190	6.6
264.20505	0.5
277.17987	0.9
291.15970	1.2
291.23285	1.0
295.19131	1.1
307.19119	0.6
317.21164	0.7
328.27142	0.4
335.22266	13.5
336.22687	1.0
377.23578	0.4
425.25504	5.1
426.25824	0.5
457.24481	2.0
469.24399	1.0
479.30142	0.7
497.27515	100.0
498.27887	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2761
Annotation	Virescenoside N
Peak:m/z	Relative Intensity
51.06433	0.5
55.01870	1.8
57.03457	1.3
58.00596	0.7
59.01092	0.8
59.01383	11.0
61.98832	4.1
63.43827	0.5
63.68527	0.5
69.05630	5.2
71.01389	18.9
72.99315	0.7
73.02951	3.5
74.72363	0.5
80.91667	0.8
83.01382	2.6
83.46587	0.5
85.02956	5.4
86.00090	1.8
87.00904	0.8
89.02458	2.6
95.01399	1.0
96.36078	0.6
99.00878	1.1
101.02455	9.7
113.02473	3.8
119.03501	1.2
125.02401	0.8
125.27792	0.5
161.04514	0.8
167.07819	0.5
170.92365	0.6
176.28389	0.5
218.59332	0.5
261.18649	3.3
263.20157	9.4
291.23370	0.9
295.19012	1.1
335.22293	14.0
336.22592	1.0
388.34143	0.6
425.25491	7.3
457.24411	2.2
469.24771	1.4
497.27560	100.0
498.28055	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.2
61.98847	2.3
69.03450	2.5
69.70078	1.8
71.01389	1.8
76.43457	1.8
81.03452	7.5
87.16067	1.7
97.02946	5.5
99.04509	14.8
109.10197	2.6
114.09104	1.8
139.07658	2.0
139.54344	1.7
159.08252	2.2
161.09729	2.0
173.13379	14.3
188.08456	1.9
191.14357	3.1
192.88556	1.6
203.10762	3.4
249.18652	6.4
281.19092	3.3
299.20010	4.5
343.19147	69.3
344.19342	8.1
357.26074	2.1
391.29871	1.9
395.25998	5.0
417.00946	1.8
417.28165	4.2
435.29031	23.9
453.30139	44.9
454.30338	6.7
479.28210	8.2
497.29144	100.0
498.29321	15.7
509.80396	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11794	0.3
57.03436	0.4
59.01372	0.6
59.98520	0.8
69.03455	1.7
71.05019	1.7
71.29441	0.5
72.27313	0.3
81.03477	2.0
83.05051	0.6
93.03430	0.5
95.05017	0.3
97.02945	2.2
97.06598	0.3
98.03744	3.4
99.04520	3.4
109.10213	1.9
111.04561	0.4
123.29942	0.3
137.06076	1.1
138.06882	3.1
139.07664	1.4
149.61804	0.3
153.09184	0.5
161.09752	0.3
177.12971	0.3
205.12321	0.6
231.37558	0.3
243.17314	0.4
255.17438	0.3
271.20670	1.7
299.20187	23.6
300.20428	1.5
343.19092	1.1
351.26819	0.4
409.31134	1.4
435.28769	0.4
453.30118	30.8
454.30457	4.2
497.29114	100.0
498.29456	12.2
498.36758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98490	0.8
69.03410	2.1
69.67896	0.6
69.68251	2.2
71.04967	1.5
77.30231	0.5
81.03422	1.2
86.53290	0.5
93.03391	0.5
94.33303	0.5
97.02891	1.8
98.03713	2.9
98.21848	0.6
99.04520	5.0
109.10230	4.0
130.89993	0.5
137.06006	1.0
138.06871	7.0
262.05408	0.6
271.20786	2.5
275.16882	0.5
281.19113	1.3
299.20157	15.1
300.20395	1.2
325.17862	0.7
343.19162	5.5
373.28806	0.9
391.29984	3.1
395.25882	1.0
409.31064	0.9
435.29077	11.7
436.29337	1.6
453.30115	100.0
454.30386	13.3
454.36594	0.9
479.28067	1.8
497.29120	25.9
498.29300	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90544	1.4
57.03445	1.5
59.01388	26.0
69.04089	16.6
72.04918	1.6
74.44007	1.3
81.43192	1.6
98.22512	3.4
138.06895	16.7
153.05507	1.8
216.55157	1.7
239.17892	1.9
333.25922	3.6
377.24878	76.9
378.25235	8.6
395.25851	3.9
453.30124	100.0
454.30743	13.4
497.29175	46.9
498.29315	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2913
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
57.03456	3.0
57.21070	0.4
59.01371	1.4
59.46914	0.4
69.03461	0.6
69.29719	0.4
69.44707	2.9
73.22915	0.4
81.03504	0.7
83.05028	2.5
97.02947	0.6
97.06590	0.6
99.04524	1.5
109.06612	1.0
111.04533	0.8
111.08180	0.9
118.63547	0.5
121.06596	1.2
123.08183	2.2
137.06111	0.5
138.06879	0.7
139.07664	2.1
141.09261	0.7
149.09729	0.8
155.07130	0.7
159.08154	2.1
171.08218	0.7
173.09721	0.5
185.09843	0.5
206.39211	0.4
217.15941	4.0
218.16302	0.6
227.14470	1.0
229.16039	0.6
241.15985	5.1
247.84825	0.4
255.17537	4.5
257.19064	0.5
281.19128	0.6
285.15121	0.6
285.18567	0.7
299.16626	1.7
299.20242	2.9
313.21820	0.5
343.19205	7.5
343.23032	0.4
344.19522	0.5
346.61316	0.4
351.27063	3.0
352.27112	0.5
357.20758	0.8
358.21591	1.1
365.82672	0.4
391.30310	0.6
409.31229	1.3
435.29242	3.5
443.37167	0.5
453.30374	24.5
454.30725	2.6
474.75842	0.4
479.28467	3.4
497.29196	100.0
498.03293	0.8
498.29642	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09797	2.4
56.93586	2.6
57.03453	5.6
59.01385	2.8
69.41265	6.3
69.41670	8.9
78.95907	8.6
83.05014	6.7
95.90686	2.5
96.76418	2.6
96.85614	2.7
98.21825	5.0
107.41553	2.8
111.04533	46.7
111.08147	13.9
134.77222	2.9
153.05742	3.0
169.12390	3.0
207.78546	2.6
232.94180	3.0
385.24179	5.6
453.30167	17.9
454.30161	2.8
479.28510	6.7
497.29208	100.0
498.29654	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
64.22406	8.6
65.19613	7.4
65.85124	7.5
71.29601	7.3
99.04519	14.0
125.88676	7.9
144.30719	7.8
152.71341	8.3
191.88075	8.1
208.70753	10.0
377.24881	27.4
414.59018	9.6
435.29251	19.4
453.30075	100.0
454.30014	10.9
479.27768	20.4
497.29010	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62686	0.6
56.59634	0.7
57.03445	6.4
59.01383	23.0
59.98514	1.2
60.99292	0.9
69.03462	4.0
69.06545	8.0
71.01359	0.9
80.29504	0.8
83.05016	2.2
94.31297	0.7
97.02956	19.0
97.96529	1.0
99.04526	5.6
107.05013	0.7
111.04581	1.3
118.93880	0.8
121.06667	1.2
123.08139	0.9
126.03233	1.7
127.04063	0.8
137.09766	2.2
138.06871	5.0
139.07663	2.5
153.05724	1.0
181.08681	1.4
189.12820	1.0
249.94344	0.8
253.16010	0.8
255.61679	0.8
261.69031	0.8
335.23907	2.2
351.27069	1.9
358.21707	0.9
375.60138	0.7
377.24985	8.7
378.24921	1.0
379.22748	16.1
379.27087	1.2
380.23361	1.5
395.25690	3.6
399.25653	1.4
435.29266	1.9
439.24982	28.4
440.25336	3.7
453.30106	20.4
454.30682	1.8
479.28104	2.3
497.29123	100.0
498.29556	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2916
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
51.09825	0.9
53.44434	1.0
57.03448	8.9
59.01377	1.4
60.43612	0.9
62.68933	0.8
66.30516	0.9
71.08975	0.9
71.32085	2.2
71.32445	1.0
72.91510	0.9
76.40755	1.1
92.83110	0.9
99.04531	100.0
100.04871	2.7
112.29335	1.3
133.02951	2.0
138.06885	2.1
143.44856	1.0
181.08780	1.7
193.05058	0.9
253.04938	1.5
293.04596	1.5
325.07175	1.3
351.27115	2.1
367.08435	2.8
383.11548	9.9
397.12878	2.0
415.14008	2.2
435.29114	2.6
453.30228	7.8
454.30536	1.1
479.27890	2.4
497.29123	72.5
498.29373	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05145	1.2
57.03455	2.8
69.03434	1.6
70.58513	2.1
73.02916	2.0
77.67752	1.2
83.05027	22.2
85.06571	2.1
92.10146	1.2
97.06590	4.0
104.83534	1.2
109.06610	12.0
125.09742	5.2
127.04634	1.3
194.40915	1.4
295.20169	1.2
325.25323	2.4
335.23871	1.7
364.72760	1.3
365.28482	5.1
367.30176	2.5
379.26294	4.1
405.28134	3.0
411.28912	1.6
421.31128	87.4
422.31277	8.3
453.33752	43.7
453.43393	1.9
454.34149	4.2
479.31772	2.6
497.32758	100.0
498.33160	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.5
61.98837	1.5
69.31018	2.5
69.31437	4.5
80.24380	1.1
123.84002	1.3
151.11395	1.5
163.11354	1.4
168.77515	1.0
201.12907	1.3
217.15921	2.1
223.68527	1.1
229.16112	2.7
295.20688	3.1
325.25528	2.0
351.26886	1.8
367.30106	11.5
393.28079	6.8
403.30008	9.5
411.29074	3.6
421.31216	1.7
425.30682	13.1
426.30899	1.3
465.30063	2.5
479.31830	10.6
480.31796	1.6
497.32770	100.0
498.33194	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.9
60.99322	0.9
70.64621	1.8
73.02948	3.8
96.39086	0.9
100.26645	0.9
144.91525	1.0
242.54733	0.9
293.18784	1.0
421.31439	2.6
423.29117	22.4
424.29547	3.0
451.32230	1.6
453.33673	4.7
465.30014	14.8
466.30304	1.3
483.31207	36.6
484.31680	4.0
497.32761	100.0
498.33145	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60055	0.2
57.17249	0.2
59.01384	0.8
61.98835	100.0
71.01391	0.9
71.32415	0.3
85.02972	0.7
89.02479	0.8
93.27663	0.3
97.02974	0.3
98.61459	0.2
101.02470	0.3
121.02975	4.9
125.02475	0.3
134.03700	0.3
143.10835	1.0
144.11111	0.4
151.04050	0.3
151.07678	0.4
160.01747	0.6
163.44456	0.3
175.04108	0.7
177.02048	0.3
193.05194	0.3
236.68684	0.3
254.57617	0.3
308.87079	0.2
337.09479	0.4
341.06857	0.7
463.12732	0.9
473.82419	0.3
497.30957	0.4
498.20486	0.3
498.31937	0.4
499.32803	0.6
518.24097	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78571	0.2
61.98833	100.0
62.48407	0.2
69.16422	1.4
81.03470	0.7
82.19194	0.3
107.41797	0.2
119.05077	0.6
123.03811	0.3
123.04549	1.8
125.02441	1.2
149.02534	0.3
167.03502	6.0
175.09761	0.2
179.03540	0.5
195.04874	0.4
213.20552	0.2
248.96468	0.3
273.07709	10.0
274.08154	0.6
301.81360	0.2
435.12906	1.8
447.79755	0.2
458.79105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	24.8
61.98838	25.0
68.99945	100.0
71.01378	27.4
73.02972	12.6
79.11903	9.3
83.04988	11.9
83.33498	10.6
84.00912	19.5
85.02939	12.3
87.61238	9.1
89.02428	11.9
98.21737	21.2
108.25635	11.5
113.06075	14.6
125.14285	10.1
191.05573	12.6
254.91495	9.3
293.13751	70.8
304.03192	11.2
334.39041	10.1
346.27722	10.8
372.99948	11.5
411.28012	12.5
454.18924	11.2
498.31534	17.2
499.21786	11.2
499.32538	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.29
Annotation	Tauroursodeoxycholic acid
Peak:m/z	Relative Intensity
60.16587	1.0
62.11221	1.0
64.33455	0.9
69.41194	0.9
71.32305	1.5
79.95748	8.6
80.96538	2.3
94.26646	1.2
106.98089	5.7
119.07063	1.0
124.00741	3.5
127.16374	1.0
190.25346	1.0
225.16728	1.4
332.50027	1.2
498.28992	100.0
499.29358	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91424	36.3
70.86393	100.0
77.45325	35.0
78.59694	33.1
80.83487	34.1
158.93253	33.9
186.35480	35.4
214.28828	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43955	99.8
67.57174	70.8
71.31222	75.5
119.76115	100.0
260.73294	87.4
263.41873	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	12.9
61.98827	2.5
67.65698	2.3
69.03431	3.0
71.01403	10.8
71.29173	2.7
72.99290	3.1
73.02946	8.8
77.70989	2.2
78.95904	1.9
81.03441	2.5
83.52531	2.4
85.02974	7.3
87.00842	2.8
88.98810	6.2
89.02441	5.5
93.03474	38.0
95.41148	2.1
96.95968	3.0
99.00919	3.5
99.04547	2.6
101.02447	4.6
107.05050	4.6
108.02221	2.5
109.02965	9.2
111.04540	6.7
113.02458	5.4
117.03468	6.5
119.03646	2.3
119.05038	46.4
121.02975	4.0
123.04546	4.7
125.02507	3.6
126.07593	2.3
131.05038	4.8
132.05817	4.0
133.06580	13.8
134.03746	8.1
135.04491	4.1
137.02467	8.2
145.02966	54.8
147.04510	6.3
149.06085	5.1
151.04047	2.6
155.03532	3.8
156.05865	3.0
157.06668	4.1
159.04462	3.3
159.08167	3.6
161.06093	26.9
163.04013	28.6
169.06586	2.4
171.04530	3.4
173.04549	11.4
173.06075	6.1
175.07607	2.6
177.05637	3.2
185.06071	4.8
187.03984	12.9
187.07631	7.6
189.09247	3.5
191.05627	15.3
193.05086	2.5
193.06635	4.9
195.08165	4.9
197.06076	2.6
199.07603	2.4
201.05583	2.8
205.05090	6.7
209.06007	3.7
211.07840	4.8
213.05472	2.6
213.09183	11.0
215.07228	5.8
215.34293	2.4
215.57573	2.1
229.08620	3.6
231.10213	6.3
235.05984	2.4
239.07152	4.8
249.99080	2.3
257.08151	6.7
265.07199	5.9
275.09186	10.5
293.10321	5.7
319.08261	39.3
325.09277	16.2
337.05771	3.4
337.09308	100.0
338.09644	8.5
351.11026	4.3
379.05667	4.3
379.10370	71.2
380.10892	5.5
409.11084	10.4
439.12527	42.5
440.12454	4.5
445.07953	2.0
499.15115	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27939	0.5
54.96035	0.4
59.01373	1.5
60.21135	0.4
69.39383	1.9
69.39787	1.0
71.01382	1.0
71.97616	0.4
83.05065	0.5
85.02941	1.0
85.45613	0.5
87.00864	0.9
93.03453	4.6
96.96032	1.0
96.96966	1.0
100.59190	0.4
111.04530	2.5
119.05035	95.0
120.05398	3.3
125.02454	0.6
129.01903	0.5
137.02464	1.2
145.03001	0.7
155.03476	3.1
163.04019	100.0
164.04364	4.5
173.04556	6.8
177.02058	0.6
191.05597	3.5
214.98256	0.5
275.02161	0.6
289.07129	0.7
325.09219	10.2
337.09250	1.1
376.32526	0.5
446.16089	0.5
480.59119	0.6
499.14569	14.8
500.15231	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1461
Annotation	kn-93
Peak:m/z	Relative Intensity
50.95615	0.9
56.71051	0.8
57.03445	2.7
59.01366	4.3
60.99318	4.2
67.01900	11.8
69.03443	1.7
69.21519	7.4
71.01387	5.2
72.92110	0.8
73.02916	1.3
81.03455	1.7
83.05022	2.8
84.82283	0.8
85.02966	6.3
85.72471	0.8
85.73028	0.8
87.00890	13.3
89.02442	1.0
89.80758	0.9
91.68542	1.0
93.03466	78.6
94.03794	2.1
98.22573	1.1
99.00878	1.8
109.02980	2.2
111.04535	10.7
111.58808	1.0
113.02473	1.4
119.05035	39.4
121.14309	0.8
125.02478	1.9
127.03999	2.1
129.01987	1.8
131.03461	1.3
135.04453	1.0
137.02478	1.5
145.02977	3.0
155.03516	3.0
161.02426	0.9
163.02733	1.6
163.04021	21.4
173.04564	23.6
180.04253	0.9
181.31122	0.8
187.04074	1.1
187.07617	1.0
191.05626	100.0
192.05946	3.6
205.04962	1.0
225.34877	0.9
235.07234	1.0
273.99585	1.0
335.10010	1.9
337.09332	14.5
338.09613	1.1
354.64355	0.9
355.11606	1.4
379.10382	2.7
499.14594	96.8
500.15070	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12683	0.7
57.03440	2.3
59.01381	15.0
67.01900	4.3
69.03466	1.4
71.01388	17.1
71.30267	1.0
71.30633	0.9
72.99331	1.3
73.02957	1.2
81.03477	1.4
83.01393	2.2
83.05016	1.2
85.02958	9.0
87.00903	1.9
89.02447	13.5
93.03464	31.1
94.03817	1.4
96.95998	1.0
96.96978	1.4
97.02934	1.0
99.00885	2.3
101.02434	5.7
109.02975	1.9
111.00898	1.9
111.04515	5.7
113.02456	9.0
119.05034	35.3
120.05407	0.9
123.04534	2.0
125.02452	7.2
131.03525	4.8
135.04587	1.7
136.07761	1.0
137.02425	4.7
143.03491	2.1
145.02974	1.1
149.04570	4.1
150.97369	1.0
151.03990	2.2
155.03520	4.7
161.02449	1.8
163.04016	38.9
164.07167	1.0
173.04555	100.0
174.04918	2.8
175.04042	1.6
177.02133	1.2
179.03461	1.2
191.05562	1.6
235.11949	4.2
243.03035	1.7
248.96211	1.0
271.10999	1.9
277.12201	1.0
319.13025	3.0
325.09399	1.9
349.15063	3.0
367.16055	1.2
388.06046	1.0
405.53033	1.1
499.14166	4.7
499.20438	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.6
59.01396	4.0
61.98822	0.5
67.01882	0.7
69.87616	0.4
71.01376	1.2
73.02965	0.7
79.27381	0.4
81.03449	0.6
83.05032	1.0
85.02959	10.9
87.00874	2.2
93.03470	4.7
94.83294	0.4
97.06584	0.6
101.02462	0.5
109.02941	1.1
111.04503	2.2
119.03555	0.4
121.02963	0.8
124.40495	0.4
127.04002	2.0
134.03770	9.5
135.04523	0.6
136.01680	3.5
137.02464	0.7
155.03555	0.9
173.04572	5.4
187.04053	1.8
187.07631	4.5
191.05626	100.0
192.05991	2.9
201.05428	0.5
202.06386	4.1
203.07060	0.8
205.08736	0.9
209.03032	0.7
213.09242	0.7
215.07187	0.5
231.10297	5.3
232.10477	0.6
263.12866	0.7
275.09274	2.0
289.11044	0.8
293.10358	1.0
307.11914	3.2
325.12979	4.3
451.33142	0.8
452.33182	2.9
453.33151	1.0
467.15372	0.7
481.17142	3.5
489.82227	0.5
499.18561	2.6
499.33105	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05204	0.3
59.01386	2.6
59.08231	0.3
61.98824	1.1
67.01890	0.9
69.03455	0.4
69.36637	2.2
71.01385	1.8
72.99337	0.4
73.02942	0.7
81.03458	0.4
83.05025	0.9
85.02957	11.4
87.00874	2.3
89.02432	0.4
92.41074	0.3
93.03472	7.6
94.03781	0.4
97.06605	1.2
99.04538	0.7
101.02415	0.8
108.02180	0.4
109.02959	0.8
111.04542	2.4
113.02504	0.5
117.08541	0.4
121.02962	1.1
125.02486	0.4
127.04056	2.3
129.01924	0.4
133.02940	0.3
134.03758	18.7
135.04480	1.3
137.02443	0.7
139.05649	0.3
155.03522	1.1
159.04530	0.7
160.08939	0.4
171.02991	0.7
172.05269	0.4
173.04570	9.3
187.04031	2.2
187.07677	5.1
191.05634	100.0
192.06023	2.9
201.05713	0.6
202.06395	3.5
203.07071	0.4
205.08701	0.6
209.03085	0.4
213.09244	0.4
214.63089	0.3
215.07133	0.7
231.10316	6.7
232.10684	0.4
233.11819	0.4
263.12906	1.1
275.09305	2.0
277.33691	0.4
289.10809	1.1
293.10434	0.8
295.11972	0.4
307.06329	1.7
307.11932	3.5
325.07260	0.6
325.12955	1.6
335.46057	0.4
467.15546	0.9
481.17218	2.1
482.16806	0.5
499.12589	1.6
499.18866	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96826	1.1
57.61051	1.2
59.01369	3.8
60.99316	14.6
61.98835	12.1
63.84127	1.0
69.31895	9.2
69.84614	1.0
71.01377	3.8
73.02953	1.9
85.02943	1.9
87.00875	2.5
88.98815	100.0
89.02452	12.7
89.99040	1.0
91.77791	1.0
94.15197	1.1
96.96009	1.3
99.04552	1.1
101.02441	1.3
109.02944	1.3
111.04518	1.4
113.02431	1.8
121.02969	23.0
121.06564	1.5
123.04485	1.4
125.02467	3.1
135.04596	1.3
143.10808	1.5
145.02969	4.4
151.07664	2.3
160.70915	1.3
161.02530	1.3
167.10847	1.4
191.05663	1.4
263.12936	2.2
481.32202	1.6
499.18176	3.7
499.33386	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22711	8.6
59.01368	27.5
59.05340	9.6
67.29829	9.8
69.02570	87.3
69.02971	16.1
71.01384	35.6
72.99454	9.1
76.40839	8.3
79.95748	14.6
85.02953	13.0
93.03485	20.2
96.96027	26.0
101.02454	13.6
109.02894	12.5
151.52455	10.2
160.47977	10.0
165.09464	11.8
173.04523	15.5
185.08270	9.1
187.04048	13.1
187.07672	52.1
191.05646	94.6
202.06306	18.4
202.71999	10.4
213.09196	14.3
215.07143	13.6
231.10245	30.2
263.12906	18.6
275.09143	18.7
307.11856	23.7
322.32379	9.1
334.76178	9.4
453.23102	12.8
481.17133	19.4
499.13089	16.7
499.19559	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61273	4.8
57.03455	7.0
59.01378	14.3
61.98835	23.3
71.01396	13.6
73.02919	5.8
90.16712	5.0
107.74757	7.2
109.02961	8.1
121.73184	5.4
123.04507	6.0
125.02462	17.3
149.02357	6.0
151.04060	9.0
161.02493	7.4
161.04579	10.1
191.05649	5.0
208.86633	5.2
224.44508	5.1
323.37311	6.0
463.22095	12.9
468.29120	6.7
499.19351	100.0
500.20169	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1955
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
50.16312	6.3
51.38245	6.0
53.51029	5.2
59.01372	7.0
59.43298	6.4
69.30801	35.1
70.26705	5.4
71.01374	11.0
74.76836	5.4
78.30452	6.1
88.96706	5.0
96.96052	16.8
109.02955	9.7
123.04573	8.4
125.02428	23.6
132.90999	5.4
150.03345	6.6
151.04068	13.6
161.02409	6.4
175.04028	6.1
191.54793	6.1
235.62776	5.8
248.73840	6.5
289.07236	7.0
409.47366	7.1
481.62061	6.5
499.12598	10.5
499.19626	100.0
500.19656	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1959
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
56.79103	8.4
59.01386	17.0
66.04083	7.8
71.01380	8.6
71.29554	10.2
73.69308	6.8
77.73711	8.6
81.82711	7.5
121.27179	7.3
125.02451	23.5
137.02446	21.3
165.01971	14.9
169.12349	70.6
329.06482	39.3
451.16791	9.1
452.17648	9.4
475.06085	8.4
499.19388	100.0
500.20349	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	53.4
60.97217	4.4
69.34739	34.0
71.01393	6.5
84.93111	4.5
85.02972	27.5
93.03471	13.9
109.02860	4.8
111.00959	4.7
111.04517	11.3
112.08863	4.2
134.03767	100.0
136.01685	74.2
137.02408	6.9
143.03610	5.3
155.03484	8.1
173.04597	69.8
173.06056	8.8
187.04039	7.2
187.07663	58.7
191.05623	66.2
201.05484	5.5
202.06345	21.3
209.03021	20.0
211.96089	4.9
213.09163	5.2
215.07039	5.6
231.10281	50.5
233.08281	9.7
263.12766	9.7
275.09277	28.4
281.08218	9.9
293.10361	34.2
301.16791	8.8
307.11859	17.0
325.12927	79.8
467.15546	5.2
479.70334	4.8
481.17035	21.4
499.19394	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45772	8.8
59.01365	13.2
69.22596	28.3
69.23022	40.5
71.01378	22.1
73.02944	8.0
73.67671	10.0
89.02480	9.9
99.00938	9.0
101.02452	19.0
161.04562	7.4
261.30069	8.2
443.72864	7.9
463.21909	100.0
464.22287	10.7
499.19385	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77742	2.0
59.01371	6.6
63.26100	2.2
70.40963	2.2
83.78206	2.0
86.87883	2.4
95.22131	2.2
99.04528	100.0
100.04840	2.9
153.53372	2.3
199.42355	2.4
246.28279	2.3
251.03513	4.6
266.06024	4.0
267.06577	6.7
279.02957	5.5
280.03738	18.9
295.06128	37.0
307.10049	3.1
309.07721	15.7
310.08456	5.0
325.10764	18.4
337.07156	14.5
337.10776	5.1
338.07797	6.2
339.09082	2.9
342.07486	21.5
352.09570	16.2
367.11795	10.5
369.09622	20.8
379.25870	2.2
384.12143	10.4
399.14493	59.0
400.14621	4.8
417.15640	3.5
427.28506	6.8
441.26245	3.2
451.61646	2.2
454.30032	3.0
455.31396	10.3
499.19897	15.2
499.30621	60.2
500.31018	6.7
506.91983	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.9
61.98809	1.8
65.73374	1.1
66.82939	1.0
68.99930	8.7
69.00354	2.7
69.90360	1.3
98.21762	2.2
99.04529	100.0
100.04875	1.3
121.92661	1.1
139.33260	1.2
150.91087	1.1
157.84438	1.1
224.04901	1.8
247.33017	1.3
249.05583	1.2
264.04480	1.5
264.57950	1.1
276.26871	1.3
279.02905	1.3
279.06702	1.4
307.06131	12.4
307.09781	38.2
308.03488	1.9
308.10144	3.1
309.07605	4.1
322.05078	1.4
322.08560	4.6
323.05582	2.6
324.06506	2.2
337.07193	6.8
337.10828	36.9
338.07764	1.7
338.11322	2.6
339.08762	2.3
349.11002	1.3
352.09457	2.8
353.10233	3.0
354.10846	1.7
364.31448	1.2
366.07394	1.5
367.11884	4.4
369.13495	2.4
399.14395	3.5
455.31375	2.8
499.30612	11.9
500.31061	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1977
Annotation	Verrucarin B
Peak:m/z	Relative Intensity
57.03447	10.3
59.01376	2.9
61.98824	2.4
63.61356	0.8
65.03926	1.3
68.99812	1.0
69.03448	3.0
69.45294	7.4
71.01376	2.8
73.02936	3.2
78.24659	0.9
80.91666	2.7
81.03457	3.8
82.25666	1.0
83.01390	10.9
83.05054	1.3
85.02962	2.1
89.02477	1.8
93.03464	2.2
95.05042	2.2
96.96025	1.4
97.02978	3.9
99.04523	4.2
101.02412	1.9
107.05044	1.7
109.02979	6.4
111.04497	1.4
113.06081	1.2
121.02941	4.2
122.03727	2.6
123.04530	4.1
124.01649	2.3
125.02454	100.0
126.02785	2.4
127.07571	1.0
130.04309	1.3
135.04509	7.5
135.08212	3.3
137.02452	65.0
138.02780	1.5
139.03984	2.3
146.03751	20.3
147.04594	1.6
149.02472	2.0
149.06133	2.2
150.03300	2.1
151.03995	3.5
151.07671	1.5
159.04561	7.0
160.05322	3.8
161.02454	1.9
161.04637	1.5
161.05972	2.0
163.04068	1.0
164.01167	11.4
165.01944	33.8
166.02350	1.4
167.03505	18.5
167.07343	1.3
172.05338	3.3
173.06099	3.3
174.03241	8.6
174.06885	3.8
175.04007	3.3
176.04817	2.3
177.01912	3.4
179.03532	15.2
184.05371	1.1
185.06093	2.1
186.06921	1.8
187.03976	3.3
187.07530	1.1
188.04778	3.6
189.05446	1.5
196.05350	1.2
197.06070	1.2
199.07697	1.4
200.04800	4.1
201.05565	2.6
202.06461	1.6
204.04352	3.7
209.06020	2.1
210.06914	3.0
211.04051	1.1
212.04791	6.6
213.05573	1.6
213.76221	0.9
224.04825	1.1
225.05580	5.2
226.06317	2.5
228.08098	1.4
237.05589	2.9
239.07249	1.5
241.08850	0.9
250.06071	0.9
251.07173	2.2
252.07936	3.5
268.07401	2.7
268.25342	1.0
269.04642	1.0
269.11871	1.6
270.09085	3.1
271.13422	20.3
281.12109	1.2
283.13333	4.7
285.14896	2.3
287.12903	1.9
288.06473	2.8
289.14481	8.3
294.09070	3.8
295.13388	2.9
297.15103	1.6
299.12909	2.9
301.14404	6.7
304.11160	1.2
309.14911	1.2
313.14557	4.2
315.16110	4.2
317.13937	5.0
325.14374	8.4
327.15915	1.5
331.15448	5.6
335.16498	2.6
337.14395	3.4
343.15530	17.3
344.15948	1.6
351.15909	1.5
353.17560	2.2
355.15466	5.6
359.15979	1.3
361.16757	7.3
369.17059	1.5
373.16803	1.2
377.17636	3.9
393.17044	1.7
395.18878	5.1
397.16418	2.1
401.17490	1.6
411.18042	1.8
413.19733	3.6
419.18652	6.4
437.19760	21.8
438.20062	1.7
455.16327	1.7
463.17484	5.8
481.18680	32.0
481.31799	1.7
482.19098	4.0
499.00192	1.8
499.19812	35.6
499.33447	11.6
500.20062	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1979
Annotation	Verrucarin L
Peak:m/z	Relative Intensity
51.19762	1.4
57.03454	12.7
59.01382	4.8
59.63955	1.2
61.98809	3.2
68.33173	1.5
69.03472	3.7
69.98249	1.2
70.03453	6.3
71.01378	2.2
71.05014	1.7
71.36215	1.3
73.02953	5.5
81.03458	3.6
83.01408	9.4
85.02955	4.9
87.04517	1.4
89.02437	1.6
90.06968	1.3
93.03487	3.9
95.01386	2.1
95.05037	4.9
97.02979	4.6
97.06608	4.1
98.22453	1.4
99.04530	4.5
103.05556	1.4
109.02971	7.2
109.52664	1.5
111.04530	1.4
121.02969	6.8
122.03728	1.8
123.04516	3.7
124.01666	2.7
125.02457	100.0
125.09832	1.6
126.02832	1.7
135.04495	7.5
135.08128	1.7
137.02455	63.5
138.02858	2.3
139.04062	1.8
139.07660	4.9
146.03745	22.4
147.04431	1.8
149.02396	2.5
149.06139	2.7
150.03293	1.6
151.04047	3.4
157.08723	12.7
159.04536	6.8
160.05287	3.0
161.06050	2.9
164.01187	12.6
165.01938	41.4
167.03516	19.2
170.11295	1.4
172.05342	6.0
173.06047	3.7
174.03224	11.0
174.06799	2.5
175.04047	2.1
175.60330	1.6
176.04761	3.1
177.01929	5.3
179.03516	18.5
185.06039	2.4
187.04007	2.9
188.04799	3.9
190.02866	1.7
199.07668	1.5
200.04842	4.5
201.05540	2.7
202.06303	2.0
204.04262	4.1
210.06827	2.8
211.04079	3.2
212.04814	4.0
223.07635	2.1
224.04774	2.3
225.05547	3.9
226.06235	2.6
236.04990	1.6
237.05507	1.7
239.07112	2.1
251.07234	3.2
252.07869	4.8
252.95540	1.5
255.13829	2.0
265.08771	2.8
268.07352	2.9
269.11761	1.9
270.09012	2.2
271.13431	23.4
283.13297	4.4
285.14819	1.9
287.12927	2.5
288.06268	2.7
289.14459	11.0
294.09073	3.6
295.13562	1.8
299.13098	2.9
301.14465	4.6
313.14401	5.9
315.16058	4.3
317.13980	7.6
325.14404	9.9
327.15945	2.1
331.15524	5.6
333.50183	1.6
337.14493	3.2
343.15518	15.7
344.11197	1.3
353.17715	3.3
355.15497	6.3
361.16830	7.0
376.86829	1.7
377.17633	3.2
379.15195	1.6
392.40753	1.6
395.18509	3.1
411.18445	1.6
413.19620	2.9
419.18597	8.8
437.19748	26.0
438.20303	2.6
455.21252	1.9
455.26480	2.2
463.17538	5.3
464.18646	1.7
469.31723	2.6
481.18790	28.2
482.19135	2.0
499.19565	31.3
499.25397	3.2
499.32428	10.7
500.19952	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29282	0.7
52.37466	0.7
55.01880	2.1
56.79196	0.7
59.01384	100.0
60.01724	0.9
69.17271	6.4
71.01388	4.0
75.00905	0.7
85.02954	1.7
89.02467	1.2
91.29735	0.7
98.21959	2.6
101.02470	2.9
104.50249	0.6
111.25404	0.7
113.02486	2.7
113.06103	13.6
120.28786	0.7
121.03081	0.7
121.13702	0.6
125.19006	0.6
137.02478	2.5
150.03322	0.8
155.46748	0.8
161.04616	0.8
165.02042	1.2
173.09756	1.2
179.10846	1.7
190.10098	0.7
201.12849	8.3
233.15562	2.6
277.14465	75.2
278.14737	4.4
288.06500	0.9
291.16156	1.1
291.30096	0.9
452.65460	0.7
499.29434	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08525	1.0
52.04878	1.1
55.01891	1.3
57.03436	2.3
59.01384	48.1
69.38874	9.2
71.01388	29.8
72.99273	1.5
73.02953	12.6
82.68687	1.0
83.01390	4.3
85.02955	18.0
85.13122	1.1
87.00849	1.8
89.02431	8.4
93.03461	4.2
93.93648	1.2
95.01411	1.8
99.00897	4.9
101.02451	28.3
111.00900	1.5
113.02467	13.2
114.24603	1.2
119.03507	2.6
125.02499	1.8
129.01880	1.4
131.03505	7.4
133.93402	1.2
143.03499	1.6
145.02975	2.2
149.04550	1.5
159.02977	3.5
161.04564	18.0
173.04590	8.7
175.07570	1.4
187.07631	3.4
191.05617	2.4
201.09222	1.6
202.06372	1.6
219.10271	2.5
231.10265	1.8
249.11382	3.0
296.95456	1.1
303.12494	1.1
305.43066	1.2
307.17661	100.0
308.17972	6.0
325.07288	1.8
351.16736	1.5
439.21841	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05532	1.8
54.91450	1.8
55.01900	1.7
57.03439	4.8
58.00579	2.0
59.01382	73.8
61.98823	2.5
64.84594	1.7
67.57081	1.8
71.01387	43.3
71.31413	4.0
72.99301	8.2
73.02962	13.6
75.00877	2.6
78.95916	5.4
83.01394	7.0
85.02959	18.0
86.44602	1.9
87.00894	3.5
87.17841	1.7
89.02445	28.7
93.03474	6.7
95.01379	2.6
96.96026	15.3
96.96975	12.2
99.00912	5.7
101.02452	36.7
109.02964	4.1
113.02468	22.5
119.03498	7.2
121.02945	1.9
123.04504	3.3
125.02457	11.3
129.01921	3.5
131.03514	20.1
137.02483	3.0
143.03534	2.4
149.04562	14.4
151.04008	5.7
155.03505	2.3
159.03012	4.7
159.04375	2.6
161.02501	3.1
161.04581	23.7
172.05266	4.5
173.04587	14.6
175.04048	5.6
175.07623	7.4
176.04773	5.1
187.04076	2.8
187.07631	9.3
190.06300	3.9
191.05605	22.7
198.99370	2.0
201.09251	12.4
202.06386	6.9
205.08702	5.0
219.10309	10.2
231.10262	13.1
232.10559	2.3
233.08202	3.8
233.11833	5.1
243.02989	3.7
245.08269	2.4
249.11348	21.0
251.12856	5.5
263.12903	5.4
281.13931	3.4
289.07114	2.3
293.10275	7.8
298.67920	1.8
301.16547	16.8
307.17642	100.0
308.17905	5.3
325.12903	2.0
407.07718	2.6
439.21814	21.3
469.17090	3.8
499.18573	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30250	19.3
53.86842	17.6
65.62193	19.7
67.20520	17.5
68.65018	20.8
71.08875	22.9
71.32425	27.8
81.15659	22.1
82.90276	22.8
126.90436	23.6
127.13441	20.6
148.99527	18.6
149.55106	22.0
168.97812	23.1
179.95491	28.0
184.34409	21.1
204.42903	20.0
270.07724	21.0
362.38376	23.5
455.31778	40.2
499.30148	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91420	2.2
57.03437	8.8
69.03453	2.6
70.48475	4.6
70.48821	2.1
95.35976	2.4
99.04508	21.6
136.24834	2.1
138.06866	9.5
141.86218	2.1
153.12846	2.3
191.14326	3.0
227.81845	2.2
241.16008	2.1
243.17500	2.3
257.19150	3.0
269.19003	4.1
280.03693	2.9
295.06281	3.4
310.08789	2.3
337.25269	3.7
353.28464	36.7
369.09787	3.4
379.26108	4.1
397.27466	96.3
398.27734	8.7
399.14413	8.7
455.31628	100.0
456.31995	10.4
499.19727	5.6
499.30505	12.9
527.77246	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26255	1.0
53.90095	1.0
57.03428	2.3
58.39037	1.0
69.14420	7.0
92.15541	1.0
96.36530	0.9
98.22578	1.5
101.02452	3.5
111.04502	2.8
139.27284	1.1
160.46761	1.0
309.22705	1.0
323.31430	1.3
327.23599	1.1
369.24359	100.0
370.24530	9.1
398.08408	1.1
429.41666	1.3
437.30600	1.8
449.30789	2.8
455.31802	10.3
456.31894	1.2
467.31525	3.3
481.33652	13.9
482.33685	2.2
485.32809	2.5
499.34106	51.2
500.34561	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3072
Annotation	Sodwanone A
Peak:m/z	Relative Intensity
52.13486	0.4
57.03436	1.1
58.69835	0.4
59.01390	4.1
69.00374	4.0
69.03457	0.7
71.01382	0.7
72.99308	1.2
74.85483	0.4
81.90258	0.4
83.05078	0.4
98.22591	0.6
101.06065	0.5
109.06644	0.4
138.06827	0.7
145.20096	0.4
155.46089	0.5
243.88443	0.4
267.17572	0.5
301.18066	1.5
351.22986	0.5
351.26935	1.2
353.24890	0.5
367.26443	0.8
369.27988	0.7
381.27951	0.9
383.29544	1.3
395.29645	0.7
409.31140	2.6
411.32800	1.3
437.30853	2.5
441.26282	0.9
453.30246	0.5
455.31854	2.3
479.27713	0.6
480.69818	0.5
481.29834	0.9
497.29193	1.8
499.30695	100.0
500.31033	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	5.8
59.01374	0.8
66.12140	0.5
69.03433	0.5
70.04618	0.9
70.04965	0.9
99.04556	1.2
138.06888	0.6
224.19098	0.5
241.06926	0.5
265.62817	0.5
278.91119	0.5
303.34042	0.5
319.24274	1.1
379.26349	5.2
397.27557	1.6
405.24258	1.3
419.30081	1.0
423.25458	10.1
424.25766	1.3
437.30466	1.1
441.26428	4.1
442.26981	0.6
455.31534	0.8
463.28745	2.3
481.29626	12.8
482.30148	1.3
499.30701	100.0
500.31097	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66688	0.3
57.03455	4.1
59.01384	3.9
63.84064	0.4
70.62657	0.7
70.62991	0.6
71.01368	1.0
84.00272	0.3
84.69849	0.4
97.02950	0.5
99.04530	2.6
101.09708	0.3
155.97307	0.4
195.51924	0.4
260.55359	0.4
295.06146	0.4
309.22156	0.6
325.25400	0.6
329.20499	0.5
335.27521	0.4
338.17313	0.4
351.23355	1.0
353.21072	0.7
353.28433	0.9
369.09677	1.0
369.24329	2.5
370.24582	0.4
379.26498	3.4
381.24200	0.6
395.25967	2.9
396.26147	0.8
397.27408	3.6
399.14569	0.9
405.24457	0.4
417.15527	0.5
423.25378	1.4
425.26767	0.6
439.24786	1.2
441.26462	14.1
442.26840	1.3
481.29944	1.7
497.29022	4.2
498.29346	1.1
499.30670	100.0
500.31033	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64074	0.4
57.03444	1.6
59.01382	3.5
60.13350	0.3
64.33605	0.4
65.23340	0.4
69.03461	0.5
69.19218	1.0
69.19621	3.2
71.01395	0.8
83.05033	23.1
85.06599	2.3
89.02457	0.8
93.03448	0.6
97.02984	0.5
97.06600	4.1
98.21831	1.0
99.04530	7.7
109.06586	4.6
111.04519	4.7
119.14015	0.4
121.06478	0.4
123.08164	0.8
124.01675	0.4
125.09740	0.7
137.09721	2.2
139.07672	0.9
143.88925	0.4
146.07582	0.4
149.37354	0.4
195.10287	5.2
205.15907	0.6
238.24997	0.4
267.06772	0.5
295.06235	0.9
303.19687	8.0
303.22971	0.8
311.05765	0.6
341.10168	0.6
351.23166	0.5
351.27121	0.7
353.10373	0.7
353.24872	1.5
369.09686	1.3
369.24265	0.5
371.25854	5.1
377.28671	0.9
379.26093	0.9
384.12039	1.3
385.27582	0.5
393.31815	0.9
397.27448	0.7
399.14621	1.1
411.33124	0.5
413.26978	1.3
419.29315	0.8
421.27673	0.7
427.27917	0.4
437.30634	12.2
438.31049	1.0
439.28613	1.2
441.26254	0.6
453.29788	0.6
455.31680	43.0
456.31946	4.5
469.14905	0.9
481.29843	2.4
484.17267	0.6
499.30698	100.0
500.19904	0.7
500.31058	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3072
Annotation	Ganolucidic acid A
Peak:m/z	Relative Intensity
57.03444	2.7
60.64682	1.9
69.55379	10.6
71.01383	1.8
83.05014	1.9
88.96513	1.5
97.06591	1.6
109.06639	1.8
111.04543	4.4
113.24260	1.8
127.07694	2.5
127.38638	1.5
129.05687	1.8
179.03786	1.7
212.01793	1.7
222.53241	1.6
327.23535	3.0
369.24362	100.0
370.24405	8.9
380.44534	1.6
437.30341	2.2
441.30191	8.0
455.31873	10.0
481.29852	2.0
499.30508	47.9
500.31201	6.2
510.37848	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3068
Annotation	Ganoderic acid beta
Peak:m/z	Relative Intensity
57.03453	5.3
67.89963	0.5
92.29644	0.6
105.06973	0.4
110.76324	0.5
138.06879	1.9
182.25931	0.4
226.44507	0.5
257.19128	0.8
335.27158	0.7
379.26489	7.3
397.27490	1.9
419.29593	5.1
437.30615	8.3
438.30814	1.0
455.31567	9.1
456.31781	1.2
463.28906	0.7
481.29633	6.5
499.30688	100.0
500.31012	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57372	0.4
56.70679	0.3
57.03449	1.8
59.01380	4.0
68.25590	0.3
69.03170	4.0
83.05035	1.2
85.06571	0.5
97.06587	1.1
99.04540	0.6
111.08171	1.7
119.26339	0.4
123.08224	0.7
132.61134	0.4
138.06895	0.9
139.07713	0.8
253.19756	0.5
323.23795	0.9
329.21448	0.6
335.27536	1.0
353.28537	1.2
375.30984	0.5
379.26553	4.7
380.26968	0.5
394.60910	0.4
397.27557	4.9
398.27802	0.5
409.27466	0.5
419.29623	1.4
423.25357	2.3
437.30960	0.7
441.26608	1.6
463.28793	1.0
481.29605	9.3
482.30225	0.9
499.30771	100.0
500.31119	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.1
59.01376	1.9
66.07363	0.6
71.01389	0.7
73.02931	0.7
83.05034	0.8
99.04533	1.9
111.04453	0.7
123.25628	0.6
131.65042	0.6
139.07664	1.9
144.60202	0.6
173.47653	0.6
192.69406	0.7
199.14890	0.7
213.16545	1.3
335.27316	0.7
377.28613	1.0
379.26434	0.9
399.10873	1.6
419.29340	1.0
437.30658	2.4
455.31787	4.2
463.30206	1.1
470.44467	0.8
478.77350	0.7
481.29788	3.8
499.30716	100.0
500.31052	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00193	0.5
56.65755	0.5
57.03450	1.8
59.01365	1.1
66.13330	0.5
67.05544	1.2
69.03478	0.5
71.05033	1.3
73.02950	0.6
83.05039	1.3
85.02969	0.5
88.94285	0.5
97.02945	0.7
97.06601	0.8
97.48665	0.5
99.04536	2.1
109.06596	2.9
111.04530	13.3
111.08189	1.1
125.06104	0.8
128.36855	0.5
153.05588	3.6
172.56442	0.6
205.16049	1.6
369.24396	2.3
387.25378	8.8
388.25748	0.8
399.10797	2.2
419.29684	1.4
437.30716	5.3
439.28592	1.5
441.22635	1.0
455.31857	4.7
481.29758	1.5
499.30701	100.0
500.31067	11.5
517.31757	15.5
518.32123	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30008	0.6
57.03431	1.0
66.05955	0.6
71.01041	0.7
71.01395	9.4
71.20351	0.8
131.96890	0.7
263.12759	0.8
267.17569	0.8
377.28067	0.8
379.30026	2.5
395.33356	0.7
409.31119	0.9
423.32785	4.1
455.35532	1.5
467.31143	0.7
472.53439	0.7
499.34323	100.0
500.34717	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3431
Annotation	Serjanic acid
Peak:m/z	Relative Intensity
50.82582	0.9
52.55257	0.9
69.03448	2.4
69.56676	0.8
78.95928	1.1
85.02955	20.8
85.06636	1.0
85.38269	0.8
97.06584	1.2
98.22505	3.0
110.70526	1.2
113.15319	1.0
116.43713	0.9
146.35556	0.9
151.32813	0.9
152.99586	1.6
205.12468	0.9
265.38156	0.8
310.25610	0.9
332.42715	0.8
381.87680	0.9
405.31476	2.7
409.23666	1.0
423.32666	2.7
455.35345	2.0
467.31592	1.7
481.33554	2.0
485.33002	1.8
499.34314	100.0
500.34717	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3433
Annotation	Pisonolic acid
Peak:m/z	Relative Intensity
51.00516	3.4
71.01375	6.6
71.08315	9.4
71.86449	2.9
75.51000	3.1
132.48656	3.6
139.53386	3.6
349.28708	3.9
383.29581	6.6
423.32855	7.6
453.33719	4.9
499.34360	100.0
500.34641	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3436
Annotation	Serjanic acid
Peak:m/z	Relative Intensity
59.58334	0.4
69.76663	1.5
73.02932	1.1
106.87040	0.5
120.76343	0.4
121.07601	0.5
121.93792	0.4
181.29994	0.5
183.36098	0.4
245.68312	0.4
260.03372	0.5
309.42252	0.4
342.76712	0.4
405.31699	0.8
423.33157	0.6
467.31686	9.4
468.32043	0.8
485.32709	4.8
486.33453	0.6
499.34369	100.0
500.34723	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
68.21008	0.4
69.13759	0.8
69.14161	1.6
71.01376	1.0
73.02946	0.9
74.78623	0.3
78.95892	0.5
88.04716	0.4
98.21796	0.6
99.04510	3.8
101.01391	0.3
103.07677	0.3
105.30101	0.4
113.06055	0.4
125.65307	0.4
141.69847	0.3
150.35143	0.3
152.99556	0.9
158.18092	0.3
227.63023	0.4
290.58661	0.4
405.31757	0.9
407.29556	1.3
423.32681	1.3
449.30472	3.7
467.31647	5.5
468.31747	0.6
481.33307	9.6
482.33820	0.8
485.32718	3.4
499.34317	100.0
500.34665	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98448	0.5
53.44388	0.5
69.16933	4.1
73.02945	0.7
221.26534	0.5
225.69209	0.6
304.01849	0.6
350.41641	0.7
405.31750	1.4
423.32751	0.7
437.34363	0.6
467.31787	5.4
481.33267	3.0
483.65988	0.5
485.32733	10.2
486.33347	1.2
499.34335	100.0
500.34662	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02814	0.3
52.23287	0.3
55.79345	0.3
60.53337	0.3
60.99294	0.4
63.40960	0.3
63.51205	0.3
70.04394	0.6
70.04746	0.7
78.95918	0.4
85.02944	0.9
88.98765	0.4
98.22577	0.5
110.48638	0.4
135.07083	0.4
143.91498	0.3
148.61137	0.4
152.99573	0.6
153.68019	0.3
157.00546	0.3
158.35382	0.3
159.32324	0.3
193.46246	0.4
242.89471	0.3
407.29776	0.5
423.32794	0.6
437.34286	0.6
449.30219	0.5
467.31631	11.3
468.31726	1.5
481.33047	1.0
485.32751	6.3
486.32675	0.8
499.34320	100.0
500.34665	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3433
Annotation	Serjanic acid
Peak:m/z	Relative Intensity
64.48493	0.8
97.06593	5.0
103.41913	0.8
295.20834	1.3
327.97668	0.9
365.28641	1.1
389.28522	0.9
405.26309	1.6
405.31638	26.8
406.32065	2.7
437.34399	1.5
481.33252	26.0
482.33600	3.8
483.81235	0.8
499.34305	100.0
500.34744	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02370	2.5
57.03446	5.7
59.01385	6.8
61.98835	100.0
66.82327	2.1
71.01377	6.9
71.31718	3.0
71.32112	3.4
72.60255	2.1
72.73667	2.1
85.02980	5.7
89.02482	2.7
93.03482	3.7
97.06591	2.4
101.02467	5.3
113.02478	9.7
125.02454	3.4
130.20311	2.1
133.02992	19.6
134.03763	27.1
135.04472	13.9
147.08269	2.4
149.04495	2.4
157.09828	2.2
161.02460	79.9
161.04509	3.2
173.04573	11.7
174.04956	3.0
179.03523	10.3
187.07698	11.2
188.08011	8.9
191.05634	17.9
192.05972	7.8
202.06265	3.0
203.06815	4.5
209.74805	2.4
231.10355	11.9
232.10632	9.3
275.09460	3.5
276.09509	3.7
282.41025	2.4
323.07843	11.4
326.13306	2.7
436.70129	2.6
437.10873	82.0
438.10870	6.4
482.17712	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27378	2.5
59.01101	3.5
59.01381	67.5
60.42070	2.7
69.03027	13.0
69.03461	14.7
70.66540	3.3
71.01388	70.5
73.02930	6.8
85.02951	12.4
87.00861	3.1
89.02448	100.0
97.02955	5.7
98.22530	7.1
98.31973	2.6
101.02438	15.6
113.02438	12.6
119.03532	3.0
125.02466	22.3
131.03490	22.8
148.05302	28.9
149.04559	32.8
162.22847	2.9
163.07657	13.8
181.94247	2.8
191.05623	19.3
192.05949	4.1
272.21909	2.9
272.70410	3.0
293.08813	45.1
314.40652	3.0
364.98062	2.9
377.61752	3.2
501.23770	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27378	2.5
59.01101	3.5
59.01381	67.5
60.42070	2.7
69.03027	13.0
69.03461	14.7
70.66540	3.3
71.01388	70.5
73.02930	6.8
85.02951	12.4
87.00861	3.1
89.02448	100.0
97.02955	5.7
98.22530	7.1
98.31973	2.6
101.02438	15.6
113.02438	12.6
119.03532	3.0
125.02466	22.3
131.03490	22.8
148.05302	28.9
149.04559	32.8
162.22847	2.9
163.07657	13.8
181.94247	2.8
191.05623	19.3
192.05949	4.1
272.21909	2.9
272.70410	3.0
293.08813	45.1
314.40652	3.0
364.98062	2.9
377.61752	3.2
501.23770	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.2
61.98833	100.0
71.01386	1.2
89.02462	1.3
98.22594	1.5
101.02502	1.4
141.26561	0.7
143.10852	2.1
143.63916	0.6
144.11176	1.6
145.11424	1.0
148.41464	0.7
242.97520	0.7
376.95895	0.7
457.21698	0.8
500.33521	1.0
519.61224	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
61.98837	100.0
71.01386	0.5
71.32218	0.3
73.02931	0.3
76.30701	0.2
89.02447	0.4
94.57784	0.3
96.76130	0.2
96.96021	0.4
101.02474	0.4
121.02978	0.3
121.69980	0.2
151.07658	0.7
156.37155	0.2
156.89467	0.2
312.05591	0.2
373.97549	0.2
500.33246	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98845	11.3
63.80738	6.5
71.01381	54.8
73.02955	22.5
79.03746	6.4
83.01409	6.5
85.02953	21.4
87.00874	10.9
89.02452	63.7
96.96021	21.9
101.02451	72.0
103.04002	20.1
113.02478	16.0
117.55501	6.0
118.31303	6.0
119.03500	24.3
131.03525	12.1
142.65140	6.2
143.03522	19.8
145.05072	9.0
161.04607	11.6
163.06136	70.7
170.18733	6.4
179.05623	11.6
200.52057	6.0
205.07210	28.0
238.14561	6.9
253.23616	6.6
265.09079	6.9
457.20767	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.3
61.98836	100.0
66.06862	0.5
68.17954	0.5
71.01400	1.5
71.21223	0.5
73.02973	0.6
74.03300	0.5
98.22535	1.1
101.02476	1.4
131.92363	0.5
224.01915	0.5
224.40068	0.5
242.53296	0.5
282.38730	0.6
292.18640	0.9
294.19199	0.7
440.25116	2.2
500.33002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
65.59067	61.3
71.31213	82.6
71.31573	100.0
91.09549	78.6
98.68220	81.6
122.51105	68.6
123.02335	68.6
143.10663	69.4
161.23245	70.3
251.02522	94.0
468.11032	84.7
528.45392	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.396
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53135	36.7
59.83355	31.5
70.51318	100.0
274.45029	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.1
57.16184	0.6
57.77907	0.6
59.01382	4.1
61.98840	0.8
67.01879	3.0
69.42372	1.6
69.42779	2.3
70.04163	0.7
71.01370	2.5
73.02962	0.9
78.91895	0.8
78.95914	2.2
81.03456	0.9
83.05029	1.2
85.02964	4.5
87.00885	1.6
89.02448	1.4
91.28732	0.7
93.03468	24.2
96.96022	3.9
96.96947	2.6
96.99294	0.9
109.02910	1.5
109.95392	1.0
110.83435	0.7
111.00880	1.4
111.04516	6.0
113.02437	1.2
117.03439	1.1
119.05038	44.3
120.05366	1.0
121.02946	1.5
123.04555	1.0
125.02464	1.8
127.04021	1.0
132.05843	1.0
133.02943	1.3
134.03702	0.7
135.04529	2.1
137.02455	3.5
143.05043	6.0
145.02934	0.9
145.06625	1.4
155.03497	5.6
161.02444	2.8
163.04025	22.8
173.04562	47.4
174.04868	2.0
176.04732	0.9
176.62419	0.7
178.02750	0.7
179.03528	1.7
181.06528	1.0
191.05618	31.8
193.05118	1.2
195.04395	1.3
197.05922	0.7
207.01228	0.7
211.07594	1.7
223.07674	1.4
235.07608	1.2
237.09219	13.6
238.09628	0.8
239.10744	3.4
242.83377	0.8
254.38910	0.9
265.08734	3.8
267.67496	0.8
279.12442	1.4
283.09756	13.7
309.07547	1.4
327.08752	100.0
328.09094	8.3
337.09167	1.4
339.07321	2.0
391.60477	0.7
501.13931	5.9
502.15051	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79117	2.2
57.03460	3.3
58.40058	2.5
59.01383	100.0
62.14271	2.7
69.03461	5.3
69.10303	3.8
69.10625	20.1
71.01389	53.2
72.99306	3.1
73.02956	20.4
81.03497	3.1
81.05794	2.3
82.95460	2.9
83.01387	4.4
84.02387	2.1
85.02962	21.3
87.00917	2.8
89.02465	26.4
94.35397	2.5
97.02945	8.2
101.02453	37.7
101.03114	3.3
103.04011	35.8
109.74048	2.2
116.42383	2.3
119.03520	17.4
125.02460	41.4
127.04018	4.1
131.03557	3.1
133.06607	34.1
143.03473	4.7
145.02954	5.4
145.05066	8.8
163.06175	30.7
247.08215	10.7
283.02423	2.9
307.10428	28.1
312.84650	2.6
336.34912	2.7
346.81320	2.5
357.23151	2.4
383.14166	2.5
519.52747	2.8
521.59186	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62594	2.8
54.00652	2.7
59.01097	5.6
59.01384	100.0
59.82380	2.3
61.85429	2.6
69.03441	3.8
71.01389	62.6
71.29821	4.0
72.99314	7.5
73.02963	25.9
81.03481	5.1
82.95450	3.2
83.01390	6.2
85.02946	19.6
87.00847	3.9
88.50092	2.5
89.02454	32.0
97.02968	11.3
97.37533	2.6
101.02448	38.9
103.04016	33.0
119.03532	18.5
121.83520	2.8
125.02461	44.9
127.04025	6.2
133.06596	35.2
143.03528	4.6
145.03052	3.5
145.05054	6.6
148.29234	2.6
163.06145	31.0
219.38289	2.7
247.08119	8.5
262.88568	2.9
285.04114	3.3
289.09375	2.8
307.10434	25.8
309.85809	2.9
359.63162	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32841	0.8
57.03447	1.5
59.01384	31.4
61.98798	1.1
63.22804	0.8
69.03465	1.1
69.21776	2.1
69.22182	5.5
71.01380	3.5
75.00877	5.0
83.05012	1.1
85.02946	3.5
89.02443	2.1
93.03461	3.4
93.99139	0.9
95.05075	1.0
97.02968	5.0
97.06611	3.6
97.52180	0.9
98.21771	1.6
101.02428	1.1
103.66236	0.9
107.05016	2.2
109.02950	2.6
109.06625	2.6
111.04520	2.3
113.02462	3.2
118.63943	0.8
119.05028	2.6
119.08721	1.2
120.66754	0.8
121.06611	3.0
122.03746	8.4
123.04565	2.8
125.02456	3.1
125.06081	1.9
130.97629	0.9
135.04544	0.9
136.05301	1.4
137.06114	7.2
137.09778	1.1
139.07657	5.5
143.05063	1.5
147.08186	0.9
149.06099	1.1
151.03969	2.1
161.06157	1.0
163.04008	1.5
163.07668	1.3
168.07904	1.4
172.08838	1.1
173.04507	5.1
175.48685	0.7
177.09189	1.3
177.12854	3.3
180.07954	1.2
181.26031	0.7
187.09845	1.0
187.11287	6.4
189.09236	1.6
190.09929	2.5
191.05620	3.6
192.23399	0.9
205.12315	17.0
217.12320	1.3
235.13429	2.9
249.11354	1.4
259.13248	1.1
261.11346	2.3
265.08752	1.2
273.11438	2.9
279.12390	100.0
280.12787	5.4
301.16678	2.5
303.12494	4.3
321.13562	1.7
327.08694	10.6
523.04474	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69310	0.9
57.03452	3.7
59.01388	4.9
60.99310	1.0
62.01743	1.0
72.89114	1.0
78.95899	0.9
81.03451	1.5
83.05024	1.4
85.02953	1.2
87.00901	1.6
99.04536	7.8
101.02443	1.1
107.05011	1.0
109.06614	2.2
110.09528	0.9
115.04024	1.7
123.08232	1.4
127.04023	21.0
138.06894	3.8
139.07652	10.5
141.48935	1.0
165.00865	1.0
171.02985	13.2
224.81923	0.9
283.20825	1.2
329.21387	1.8
351.27023	4.2
353.27814	1.5
381.28305	2.3
392.27478	1.2
395.25922	11.7
396.26382	1.8
397.27515	1.4
398.27808	2.8
399.28290	4.7
439.24939	59.0
440.25290	4.0
443.27124	1.3
457.33621	2.1
483.30804	3.4
500.31088	6.6
501.25577	4.5
501.31885	100.0
502.32608	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16271	22.1
75.27481	3.4
78.16008	3.1
78.95915	50.8
96.96964	7.3
152.99594	100.0
168.94559	3.3
177.04477	3.3
271.64371	3.3
373.85379	3.1
394.89902	3.0
433.23511	17.7
501.32214	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	39.0
59.01381	62.8
66.20137	2.6
71.01374	2.6
83.05031	3.7
85.02934	5.1
95.05033	8.4
97.02940	9.3
97.06577	4.1
99.04532	45.3
101.95145	2.6
123.04516	10.4
137.06065	4.0
138.34106	2.7
139.07634	7.8
157.08675	8.9
229.42490	2.8
257.19263	8.0
299.20255	8.4
301.17947	8.6
307.75204	2.9
321.22174	6.3
339.23248	23.8
343.19064	19.0
365.21408	5.3
383.22308	100.0
384.22586	10.7
385.16574	8.0
423.25430	4.0
450.78180	3.1
457.26218	5.6
501.31674	33.9
502.32068	4.8
512.45782	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.0
70.62685	1.3
71.01381	0.9
75.81204	0.6
87.42979	0.6
97.06599	0.7
135.08083	0.8
162.55086	0.8
324.24594	1.4
325.25122	1.0
334.26816	0.7
337.25381	0.8
351.27072	2.0
353.28452	2.9
365.28641	1.2
367.29904	6.3
370.68079	0.7
379.30154	2.5
393.31747	5.6
395.33261	12.5
396.33505	1.0
419.29507	1.3
421.31171	2.3
423.28659	0.8
437.30539	3.1
438.31012	0.7
439.32294	8.8
440.32880	1.5
465.30038	3.0
481.29962	5.3
481.36279	1.0
483.31192	30.6
484.31595	3.4
501.32236	100.0
502.25537	1.3
502.32611	12.3
506.67252	0.9
511.25952	0.9
513.86725	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.2
61.94826	0.7
69.02203	3.3
69.02624	1.8
71.01387	15.2
71.27627	0.7
78.28339	0.6
90.97933	0.6
92.73952	0.6
138.63898	0.6
146.59351	0.6
202.65962	0.7
368.96094	0.6
384.02359	0.7
399.29117	1.0
412.41980	0.7
439.31879	0.9
443.27878	3.3
457.33163	0.7
464.06680	1.3
465.07608	1.4
466.06628	2.3
483.31241	0.7
501.32248	100.0
502.32520	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.1
63.27087	0.5
64.66607	0.6
68.98916	5.5
71.87830	0.6
85.75706	0.7
86.74303	0.6
91.57327	0.6
110.41740	0.5
115.34759	0.6
120.51396	0.7
123.96713	0.7
196.54178	0.6
271.16901	0.9
285.18747	0.8
363.26981	1.4
381.28012	8.3
382.28232	1.2
399.29239	1.3
407.25873	2.9
421.30984	3.1
425.27002	16.1
426.27194	2.3
443.28162	5.3
447.29022	1.0
465.30063	6.8
483.31186	18.0
484.31390	1.8
501.32248	100.0
502.32629	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3226
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
53.89401	0.4
57.03460	3.1
71.01388	16.3
74.12695	0.3
74.77213	0.3
82.44305	0.4
86.02133	0.3
109.30515	0.4
111.04522	0.9
117.19384	0.4
130.16075	0.4
139.16592	0.3
167.31599	0.3
277.70056	0.4
371.26114	0.5
399.28772	0.7
443.27881	2.4
457.32684	0.6
501.32257	100.0
502.32602	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3226
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
50.98022	0.4
57.03460	3.0
59.52473	0.4
70.94536	0.4
70.94875	0.5
72.99289	0.9
83.05011	0.4
87.00864	2.5
119.29821	0.4
120.32729	0.4
171.90778	0.4
183.62878	0.4
216.09604	0.4
245.94212	0.4
390.54169	0.4
397.27573	4.0
425.27228	0.8
443.28036	0.7
455.31772	1.2
483.31082	1.5
501.32239	100.0
502.32639	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3227
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
50.85949	0.4
57.03437	1.4
69.07362	2.4
69.07758	1.0
78.95912	6.9
92.89033	0.4
96.05498	0.5
98.21823	1.1
111.33876	0.5
117.19926	0.5
120.66422	0.5
140.01167	0.4
152.99590	12.7
215.14426	2.0
267.17551	1.9
336.54568	0.4
363.27228	0.6
377.32132	2.0
379.30106	5.1
380.30399	0.7
399.29031	0.9
413.34308	0.8
421.31415	0.6
423.29169	6.3
433.23941	2.9
439.32196	45.7
440.32544	4.9
457.33423	4.3
465.30029	1.6
483.31332	0.7
501.32239	100.0
502.32553	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.9
59.25964	0.4
67.05507	0.6
69.05280	0.3
69.05575	3.7
76.29218	0.4
83.05009	0.4
87.19852	0.4
97.99728	0.5
98.21757	0.8
99.20585	0.4
109.06633	0.4
111.04523	3.5
153.05606	0.8
319.38083	0.5
331.22827	1.2
384.11783	0.4
389.26981	3.1
399.28976	0.7
439.32184	1.4
457.33142	3.2
483.31516	2.0
501.32254	100.0
502.32574	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3227
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
51.73273	0.4
56.36943	0.3
57.03451	3.4
64.90034	0.4
70.39082	0.3
71.01386	9.5
71.05016	0.6
71.32066	0.3
71.32469	0.6
73.02940	0.7
79.36319	0.3
79.50184	0.4
81.67040	0.4
96.06232	0.4
99.04539	0.7
136.50145	0.4
139.07620	0.4
147.48419	0.3
172.90578	0.4
199.14764	0.5
209.24501	0.4
293.22775	0.6
337.21683	0.8
341.24927	0.4
352.24036	0.9
353.24750	1.7
363.26950	0.4
381.28043	0.5
399.29086	0.9
411.29074	18.3
412.29309	2.3
425.27197	0.5
429.30240	1.4
439.31982	1.9
457.33578	2.0
465.30072	0.7
469.22021	0.7
483.31168	1.5
501.32251	100.0
502.32574	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.5
59.01380	1.0
69.03453	2.0
71.05022	0.9
71.32064	1.5
71.50868	0.7
73.02943	0.9
83.05045	1.6
85.02958	7.9
87.00892	6.5
90.18150	0.7
97.02967	7.2
97.06548	1.1
99.04514	2.3
139.07727	0.9
192.66467	0.7
197.92035	0.8
211.65912	0.8
310.23349	0.8
329.87857	0.9
375.59546	0.9
384.21771	0.8
393.19907	0.8
397.27423	1.6
399.29196	1.4
403.28452	7.0
415.28790	1.9
421.31204	1.2
439.32260	6.9
457.33322	4.5
465.29651	0.9
483.31424	6.2
492.69440	0.9
501.32291	100.0
502.32684	10.1
517.16650	0.9
522.28021	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3228
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
50.63366	0.6
57.03447	5.0
59.01385	7.4
69.01044	6.5
69.03410	0.6
71.01383	0.7
71.05044	0.6
73.02959	1.3
78.95905	4.7
83.05014	1.7
87.00878	6.8
87.04508	0.9
91.18587	0.7
92.12070	0.6
97.06611	0.6
99.04508	1.1
101.06048	0.6
109.06609	0.8
137.09740	0.9
146.32632	0.5
148.71603	0.5
165.12805	1.4
168.04288	1.4
224.06943	0.9
242.08035	1.9
277.21744	59.0
343.19009	0.9
347.22113	0.6
355.30051	4.7
381.28107	0.9
399.29095	2.8
423.25571	0.8
439.32205	2.3
443.28030	5.4
444.27954	0.6
457.33301	9.3
458.33682	1.3
483.31293	2.8
501.32275	100.0
502.33182	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63252	0.7
54.58779	0.7
57.03457	1.8
61.98854	1.0
71.01376	3.4
83.05070	0.9
91.00243	0.7
110.02580	0.8
123.87064	0.9
136.83704	0.7
148.46426	0.7
175.37036	0.7
198.01395	0.8
350.51990	0.8
383.29916	1.7
399.28998	3.6
409.27493	1.1
421.31042	1.8
427.28458	3.4
439.32266	4.7
443.28391	0.8
457.33188	0.9
483.31232	12.0
484.31744	1.1
501.32278	100.0
502.32629	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44083	1.0
53.46854	0.9
57.03460	4.4
61.98820	1.2
64.10256	1.2
71.01357	1.6
85.28460	0.9
98.22595	2.3
99.04488	2.3
99.29085	0.9
101.06101	1.9
101.56795	0.9
111.85185	0.9
117.84068	1.0
139.07678	5.9
162.84029	1.3
184.59491	0.9
210.61685	0.8
219.33176	1.0
220.18655	1.0
351.90793	1.0
429.29230	1.6
439.32251	2.5
457.33154	8.9
483.31024	4.9
501.32245	100.0
502.32642	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
59.01373	1.9
69.32964	2.1
69.33398	1.9
98.56297	0.6
136.11729	0.5
152.99701	0.7
367.30417	0.7
411.28967	1.8
425.30228	1.3
427.32187	14.4
428.32651	1.7
439.32166	3.9
441.33835	4.3
442.34286	0.7
457.36868	6.4
469.33228	8.2
470.33771	0.8
483.34772	1.7
487.34338	12.3
488.34592	1.4
501.35910	100.0
502.36234	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19375	2.0
57.03448	3.2
61.67117	2.1
69.08145	1.8
93.74144	1.7
144.01520	1.7
178.13628	2.0
197.73090	2.2
229.27003	1.9
232.89061	1.7
270.24432	1.8
469.33221	3.2
487.34296	7.7
501.35892	100.0
502.36075	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16764	2.6
51.54036	2.7
57.03452	2.7
59.01384	42.9
61.98826	4.9
62.61777	2.3
67.78242	2.3
69.02547	20.4
71.01389	32.8
73.02939	8.1
76.22384	2.3
85.02962	6.5
87.00907	6.0
87.52682	2.4
89.02441	41.3
89.32615	2.3
93.03458	3.0
96.99933	2.7
101.02454	25.2
102.88705	2.7
103.04049	5.9
113.02455	5.5
119.03497	6.2
125.02465	9.7
131.03516	13.5
143.03555	2.8
149.04562	10.6
157.08623	3.0
161.04559	5.4
163.06145	19.3
163.07419	3.1
165.09213	100.0
166.09634	3.9
173.04630	3.9
179.05591	2.9
191.05611	16.5
205.07181	6.0
244.20491	3.1
257.38281	2.8
293.08917	11.4
340.21207	3.2
371.20709	5.4
434.33078	3.0
437.83737	3.1
451.79675	2.7
459.22293	11.6
479.84921	2.4
489.08508	2.9
503.14978	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16764	2.6
51.54036	2.7
57.03452	2.7
59.01384	42.9
61.98826	4.9
62.61777	2.3
67.78242	2.3
69.02547	20.4
71.01389	32.8
73.02939	8.1
76.22384	2.3
85.02962	6.5
87.00907	6.0
87.52682	2.4
89.02441	41.3
89.32615	2.3
93.03458	3.0
96.99933	2.7
101.02454	25.2
102.88705	2.7
103.04049	5.9
113.02455	5.5
119.03497	6.2
125.02465	9.7
131.03516	13.5
143.03555	2.8
149.04562	10.6
157.08623	3.0
161.04559	5.4
163.06145	19.3
163.07419	3.1
165.09213	100.0
166.09634	3.9
173.04630	3.9
179.05591	2.9
191.05611	16.5
205.07181	6.0
244.20491	3.1
257.38281	2.8
293.08917	11.4
340.21207	3.2
371.20709	5.4
434.33078	3.0
437.83737	3.1
451.79675	2.7
459.22293	11.6
479.84921	2.4
489.08508	2.9
503.14978	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.23
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.5
61.98841	2.5
69.14133	4.2
69.14536	13.2
71.01374	7.0
73.02957	2.0
85.02959	3.4
87.00858	3.6
89.02435	8.6
93.03453	3.8
96.73121	1.8
99.04467	3.2
101.02453	9.3
107.29933	1.9
113.02483	3.5
119.03501	2.5
124.01629	1.9
131.03502	3.4
161.04494	3.1
167.10812	2.1
173.04543	5.6
179.14467	2.4
191.05606	2.8
195.13913	6.3
205.12306	9.6
223.13408	100.0
224.13747	6.3
253.09282	18.8
275.09445	1.7
327.18317	4.0
459.22388	11.6
460.23151	2.5
502.34708	3.7
503.13156	2.6
503.30133	2.2
506.82108	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	29.8
58.03770	3.3
59.01389	9.6
61.98815	4.7
97.37512	3.5
98.21823	13.0
99.04535	11.7
138.06766	4.8
146.03680	4.3
276.08368	4.1
299.20224	14.6
305.21872	3.8
339.23111	5.0
343.19098	33.2
375.34610	4.4
382.27768	5.2
383.22290	21.6
401.23386	15.6
458.33206	7.1
459.35052	4.9
484.31183	7.1
502.31979	100.0
503.26889	7.7
503.33578	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
74.44757	64.4
93.94490	62.0
127.50962	65.2
141.75488	100.0
177.31635	79.2
196.35121	70.4
318.45273	85.4
347.42963	67.5
450.63235	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	6.1
59.01390	17.7
59.83160	2.0
68.99828	1.9
69.03432	1.9
69.20850	7.0
69.21271	6.7
71.01379	17.1
72.99323	3.1
73.02946	2.1
75.00880	37.6
78.95921	12.1
83.01386	1.9
85.02964	15.9
87.00883	11.8
89.02447	7.3
96.96023	4.5
96.96964	18.0
97.02966	2.9
99.00877	5.9
101.02414	2.6
117.03471	3.8
119.05041	97.0
120.05392	2.5
129.01947	11.4
133.03033	2.3
133.06618	3.3
135.04550	15.7
145.02959	22.6
161.02446	9.6
161.06120	5.8
163.04022	78.9
164.04366	2.6
172.35675	2.0
177.04059	66.6
178.04385	2.0
179.03470	14.2
179.05675	2.6
191.05708	4.1
195.05116	8.4
205.05042	7.0
232.20729	1.9
261.07706	3.7
289.02649	2.1
323.07739	25.5
324.08282	2.7
325.09561	2.1
341.08765	20.9
385.23764	2.0
467.11835	7.7
503.14108	100.0
504.14398	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43295	0.6
55.01871	1.4
55.50550	0.7
57.03436	1.3
58.00583	3.1
58.46737	0.8
59.01384	85.3
63.19920	0.7
63.41911	0.6
69.03468	1.4
71.01389	73.9
71.29531	1.2
72.99308	4.2
73.02953	8.7
75.00897	1.5
83.01396	3.8
85.02479	1.0
85.02956	13.1
87.00880	21.7
89.02451	87.9
90.02790	0.9
93.03453	2.2
95.01395	4.6
96.96005	2.5
96.96992	1.4
97.02957	2.8
97.90986	0.7
99.00869	2.9
101.02450	53.5
102.02807	1.1
107.03492	1.0
111.04485	0.9
113.02457	30.5
114.02850	1.1
114.94864	0.8
119.03513	15.9
125.02468	4.3
128.08180	0.7
129.01985	1.2
131.03534	5.7
141.01976	1.3
143.03519	10.4
149.04572	3.4
153.20337	0.7
161.04573	17.2
173.04536	1.3
177.05453	0.9
179.05620	100.0
180.06001	2.3
191.05640	6.5
203.05637	0.7
218.18201	0.7
221.06676	54.3
222.06961	1.4
224.74796	0.7
263.07697	1.7
281.08823	3.2
323.09891	6.4
341.10785	4.9
450.29614	1.0
453.96411	0.8
503.16235	49.8
504.16339	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
57.03449	1.4
58.00589	5.3
59.01384	98.9
69.03478	1.2
70.11127	3.4
71.01388	81.2
72.99314	4.7
73.02955	10.1
75.00885	1.4
75.17941	1.1
81.03441	1.5
83.01381	3.3
85.02959	16.2
87.00883	26.2
89.02454	93.9
93.03459	5.6
95.01385	4.5
96.56848	1.1
97.02964	2.8
99.00880	3.6
101.02451	59.9
108.02209	5.3
111.00858	1.4
111.04540	1.9
113.02457	29.2
114.02795	1.4
115.04016	1.7
119.03524	18.0
123.04499	3.1
125.02462	3.0
127.64145	1.2
129.02020	2.5
131.03520	4.9
135.04482	1.3
137.02428	1.4
141.01955	1.8
143.03519	11.9
149.04562	4.3
152.01147	6.6
161.04568	22.9
167.02118	2.3
167.03484	20.7
173.04579	7.7
179.05624	100.0
180.05991	1.9
191.05655	6.7
221.06679	56.8
263.07706	1.8
269.25327	1.1
281.08810	4.0
323.09933	8.4
341.10898	3.8
362.05493	1.2
503.16199	52.7
504.16525	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19990	0.5
55.01882	1.1
55.43715	0.5
57.03458	2.3
58.00590	3.5
59.01383	93.8
60.01727	0.6
63.23563	0.6
69.03461	1.8
69.08027	6.0
71.01387	77.0
72.01723	1.4
72.99303	3.5
73.02958	9.0
75.00893	1.5
81.03457	0.7
83.01381	3.0
85.02962	14.0
87.00882	23.3
88.00002	0.5
89.02451	87.8
89.74932	0.6
90.02785	1.1
93.03432	0.8
95.01408	3.2
97.02967	2.1
99.00900	1.9
101.02451	54.9
107.03498	1.0
109.02966	0.8
111.00890	0.8
113.02461	31.6
115.04044	0.7
119.03513	17.0
125.02483	3.0
129.01997	0.9
131.03516	6.0
137.02391	1.3
141.01965	1.1
143.03516	10.0
149.00964	0.7
149.04593	2.4
158.53601	0.6
161.03255	1.2
161.04578	19.4
166.97543	1.3
168.99115	1.4
173.04526	0.7
179.05618	100.0
180.05983	2.1
191.05606	6.7
212.98000	1.0
221.06676	54.3
222.07155	1.7
230.99159	2.2
233.06674	0.8
263.07718	2.6
281.08838	5.1
291.01279	2.6
305.08801	0.8
323.09851	8.3
341.10837	5.5
349.68942	0.6
357.83115	0.6
357.87933	0.6
369.06796	0.6
383.11957	0.7
405.04321	2.0
470.16284	0.7
503.16223	50.9
504.16638	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75500	0.3
57.03455	0.6
59.01369	0.9
61.98846	1.6
63.07178	0.3
66.56795	0.3
69.11649	2.4
71.01372	0.7
79.03313	0.4
79.95734	0.3
83.04951	0.3
87.00797	0.3
89.02435	0.4
101.02429	0.5
121.02927	0.3
123.00858	0.7
125.02415	0.9
137.02477	0.3
139.00281	0.4
151.00342	0.5
151.04010	1.0
152.04800	1.4
161.04543	0.5
176.93988	0.3
179.03514	1.7
180.04294	100.0
181.04671	3.0
194.05836	0.9
195.06633	91.8
196.06973	3.5
221.01366	0.8
222.01527	0.5
223.00737	1.8
281.13962	0.7
467.57962	0.3
503.17740	24.3
504.18304	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91576	4.5
57.03467	4.0
58.90691	3.7
59.01388	30.5
60.16936	3.5
70.61377	11.4
71.01396	11.9
73.42144	4.0
76.05928	3.8
83.04986	5.5
85.02953	7.2
87.00897	6.6
89.02448	8.5
89.47884	4.3
101.02439	6.7
123.08173	11.3
134.03729	5.2
135.04559	11.2
137.02464	4.6
138.70422	3.5
148.43610	3.8
153.64786	3.6
161.02435	5.0
171.11816	9.0
172.38521	3.7
179.03484	4.9
193.05176	5.7
204.02263	4.2
232.91777	3.8
237.15065	11.5
281.13959	100.0
300.76675	4.1
305.13824	8.7
323.14853	4.2
423.85941	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	85.1
71.01392	76.3
71.28394	12.5
73.02954	20.5
85.02933	11.6
89.02458	100.0
97.02967	12.5
99.00914	17.5
101.02466	29.8
113.02464	11.0
125.02440	37.4
131.03491	22.6
149.04576	30.9
149.09709	61.4
161.04543	10.5
167.10776	41.6
180.94672	9.9
191.05754	14.9
198.86378	10.8
233.06677	28.5
269.04141	11.2
293.08878	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
58.00587	2.9
59.01384	100.0
61.98824	4.4
61.99116	1.1
65.57702	1.1
66.23912	1.0
66.85430	1.1
71.01389	40.5
72.99313	3.5
73.02963	2.0
78.22742	1.1
83.01404	1.2
85.02959	7.8
87.00873	2.6
89.02452	59.8
95.01444	2.1
99.00909	1.9
101.02451	28.2
107.93899	1.2
109.27696	1.6
113.02467	18.0
119.03507	18.5
125.02466	2.6
131.03511	38.6
143.03516	5.1
149.04547	11.7
161.04605	6.9
167.03506	1.5
179.05618	17.5
191.05600	8.1
209.08240	1.7
287.97369	1.1
311.15012	18.2
315.04977	1.4
443.19284	10.1
445.44391	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.5
57.03438	4.8
58.00592	1.1
59.01384	69.6
64.51358	1.2
68.88111	1.2
69.21019	9.5
71.01387	44.2
72.99320	1.9
73.02950	17.7
74.02480	2.1
83.01389	10.6
85.02956	22.2
87.00903	2.0
89.02468	5.8
95.01386	4.7
97.02948	1.6
99.00883	9.4
101.02448	41.4
106.19447	1.2
113.02463	19.4
119.03505	1.6
120.62575	1.3
123.32496	1.2
125.02477	2.5
131.03519	34.5
132.03813	1.4
135.50060	1.3
143.03477	2.6
149.04514	1.8
159.03011	4.1
161.04581	27.7
171.10326	2.4
191.05598	3.0
307.78198	1.6
310.17438	1.4
311.15021	100.0
312.15347	5.6
371.20721	8.9
443.19220	14.6
444.19476	1.7
503.27051	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.0
57.03454	8.0
58.00600	1.5
59.01388	26.3
61.98827	5.0
69.43736	6.4
71.01033	1.9
71.01390	25.7
72.99322	2.2
73.02951	11.9
81.03449	1.4
83.01389	10.6
85.02957	14.2
87.00873	4.2
89.02464	6.5
95.01388	1.6
97.02933	1.3
98.21767	2.1
99.00883	4.3
99.04521	4.7
101.02454	25.1
103.04021	2.1
109.02958	1.7
111.00937	1.3
113.02471	7.5
119.03499	2.9
121.02976	2.2
125.02457	10.1
135.04527	4.0
137.02553	1.4
143.03519	1.7
151.00357	4.4
151.04027	2.6
161.02513	2.2
161.04539	6.4
164.04735	3.4
177.01950	4.3
177.55959	1.5
179.07117	4.5
180.07927	24.5
181.08733	5.8
195.06613	1.5
195.10278	31.3
211.37906	1.2
233.83365	1.3
270.04349	1.4
281.13953	2.5
285.04059	4.4
323.05585	2.1
357.15558	42.7
358.16058	2.8
402.69238	1.3
422.13345	1.3
465.10541	3.2
489.31613	1.4
503.21399	100.0
504.21814	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93509	0.9
52.09425	0.8
53.46465	0.7
55.66061	0.7
59.01394	0.7
61.98837	5.3
67.01637	0.7
70.17831	0.8
70.18163	2.2
71.01354	1.9
71.68517	0.8
89.02444	1.2
101.28635	0.8
108.12630	0.8
121.02952	2.4
136.24341	0.8
163.91319	0.8
336.08267	0.9
411.23080	1.4
413.24765	1.4
413.30319	1.0
417.28336	1.0
419.29333	1.9
425.24744	1.9
429.28134	1.7
439.26248	3.2
441.27740	4.9
455.21713	1.6
457.23718	2.6
459.28894	1.9
499.20773	0.9
503.27774	100.0
503.33661	6.9
504.28189	13.8
504.34891	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04928	21.6
69.05254	100.0
79.74055	8.8
84.76299	8.6
85.49219	8.9
87.00809	7.9
121.02977	66.3
474.22803	9.6
503.33844	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.3
58.50262	1.3
59.01384	100.0
61.98845	1.7
69.03472	1.1
69.53888	0.9
71.01392	11.1
71.78692	1.2
87.00896	3.8
89.02476	2.7
97.06641	1.3
99.04553	2.0
171.79018	1.0
181.68327	1.2
224.10237	1.1
226.89253	1.0
341.25119	4.2
367.23016	3.4
385.23914	16.1
386.24634	1.5
413.31042	1.3
443.28635	3.3
457.23740	1.1
485.27505	1.3
503.34149	42.5
504.34467	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.5
71.01389	20.3
87.00877	4.5
89.02451	34.2
90.02780	0.8
98.21790	0.9
101.30542	0.4
134.39415	0.4
169.59833	0.6
179.71779	0.5
242.73639	0.5
260.86526	0.6
279.23233	0.9
413.30630	24.8
414.30899	2.6
457.33179	4.7
503.33835	100.0
504.34256	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3384
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
57.03437	5.5
57.47384	1.4
115.36348	1.4
136.43381	1.8
253.16022	1.5
261.05280	1.6
277.07718	1.6
318.17157	1.5
324.74255	1.7
383.29733	9.3
401.30615	3.2
406.85104	1.7
409.27536	1.8
423.32574	3.2
441.33560	5.3
459.34863	4.3
485.32727	6.4
486.33215	1.7
503.20892	8.1
503.33798	100.0
504.21646	1.9
504.34247	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.338
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
53.74812	0.5
57.03452	3.9
59.01379	4.2
61.98810	0.7
69.03455	1.6
69.62086	1.0
69.62495	2.0
71.01363	1.5
71.05017	4.1
83.05002	0.5
85.02958	11.0
85.06522	0.6
87.00876	1.2
88.11745	0.5
89.02482	1.2
97.02957	1.7
98.22478	1.0
99.04556	0.5
111.08170	0.5
126.03242	2.8
149.45357	0.5
198.67308	0.5
215.03149	0.6
315.26846	0.7
399.29059	1.9
405.22757	0.9
417.30130	5.6
418.30438	1.0
419.79599	0.7
423.33221	0.6
441.33676	1.7
459.27448	1.4
459.34851	2.0
467.31555	1.1
485.32745	9.3
503.26764	8.4
503.33780	100.0
504.27148	0.9
504.34106	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3384
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
51.90625	0.4
57.03452	7.9
59.01395	0.8
61.98833	0.8
69.28378	3.1
71.01388	0.9
73.02934	0.6
83.05008	0.5
87.00886	1.6
89.02471	0.8
121.02998	1.2
123.55515	0.6
123.71037	0.4
146.64214	0.4
150.86836	0.4
160.84233	1.2
189.86531	0.4
191.05649	0.8
304.48541	0.5
365.28366	0.8
381.31793	0.9
383.29712	2.6
423.32669	3.8
441.33759	22.6
442.34195	2.0
459.34778	2.6
467.31628	6.7
468.31802	1.3
473.32767	1.4
485.32764	49.2
486.33133	6.5
503.33798	100.0
504.34131	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	1.5
71.31568	1.9
72.23916	1.0
73.02949	17.1
126.75510	1.1
138.09642	1.0
160.84196	2.0
191.35188	1.0
319.44952	1.0
323.97186	1.1
385.30975	4.2
423.32648	1.5
441.33774	4.1
455.96039	1.0
459.35031	9.1
460.35120	2.0
485.32935	6.7
503.33832	100.0
504.34137	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	4.0
60.77884	0.6
69.09647	5.1
71.01386	3.3
72.16814	0.5
73.02947	7.4
73.41598	0.5
74.21950	0.5
80.54208	0.6
89.02451	1.1
114.08585	0.6
198.21159	0.6
230.69862	0.5
317.85812	0.6
357.31689	0.9
385.31143	2.7
401.30850	0.8
434.15384	0.5
441.33780	4.2
457.33475	0.8
459.34836	11.0
460.35178	1.5
485.32581	4.7
503.33856	100.0
504.34164	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3384
Annotation	Yardenone A
Peak:m/z	Relative Intensity
57.03440	2.9
59.01386	2.0
69.13129	6.6
71.01373	1.2
85.02913	0.8
93.07124	0.8
95.05030	1.2
99.04530	58.3
99.96818	0.8
100.04876	1.4
137.06190	0.9
140.01775	0.7
160.84206	1.1
191.05649	3.9
281.17719	1.3
365.16357	0.9
372.16592	0.8
403.28574	28.8
404.29028	2.7
459.28445	0.8
503.33896	100.0
504.34119	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12460	0.7
58.94118	0.7
68.51455	0.8
70.21473	0.8
71.01380	6.3
71.29013	0.7
71.29579	1.3
73.02948	13.0
75.64586	0.7
78.95914	1.8
103.70080	0.7
121.02964	2.1
136.43481	0.9
144.04131	0.9
279.23297	20.4
301.15948	0.8
330.58133	1.0
385.31177	9.8
411.29123	3.3
429.29922	2.2
431.31720	4.7
459.34915	6.2
467.07477	1.0
485.32886	4.4
503.33694	100.0
504.34326	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3386
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
55.17996	0.7
57.03456	4.4
59.01385	1.4
61.40207	0.7
61.98843	5.1
71.01389	2.7
71.31236	0.9
73.02934	0.8
87.00876	1.3
95.05031	0.7
97.96296	0.7
110.66324	0.7
117.34452	0.8
137.06122	1.0
144.22502	0.8
191.05592	0.9
204.05336	0.7
228.74330	0.8
383.29562	0.9
423.33121	1.2
431.31998	2.9
441.33832	8.4
457.33502	1.2
459.35071	3.3
485.32999	5.1
503.33868	100.0
504.34201	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3386
Annotation	Yardenone A
Peak:m/z	Relative Intensity
71.01385	17.6
72.91997	0.8
77.45533	0.8
87.00896	4.0
89.02454	25.4
203.62814	0.8
225.59848	0.8
229.22252	1.1
286.43155	0.9
304.41428	0.9
307.35156	0.9
310.73856	0.8
410.48022	0.8
413.30600	22.3
414.30988	2.3
453.88873	0.9
454.94659	0.8
457.33130	4.6
458.33841	1.2
500.89447	1.0
503.33829	100.0
504.34152	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
60.25350	0.5
62.79346	0.5
71.01384	0.6
71.30542	0.7
198.71246	0.6
204.47479	0.6
263.35995	0.6
275.63446	0.6
286.74170	0.6
301.03726	0.6
354.53732	0.6
376.51706	0.7
377.33206	0.6
401.34375	2.2
415.99973	0.6
425.34265	0.7
427.32269	0.6
428.59317	0.6
445.33362	1.0
459.38623	3.6
463.53293	0.6
467.35428	4.2
485.36426	20.1
486.36798	3.1
502.55261	0.6
503.37515	100.0
504.37875	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3746
Annotation	Nebrosteroid G
Peak:m/z	Relative Intensity
57.03439	1.7
58.42292	0.5
59.01387	0.8
69.14404	2.1
69.14822	1.7
80.94946	0.6
81.29911	0.4
98.22595	0.6
119.77583	0.6
159.60600	0.5
208.33833	0.5
401.29825	0.5
401.34183	2.5
427.32272	1.5
436.50482	0.5
445.33301	0.9
459.38504	1.9
467.35394	3.8
485.36423	19.7
486.36658	1.9
503.37473	100.0
504.37860	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.2
58.00597	2.2
59.01386	20.4
61.69038	1.5
61.98835	100.0
65.44485	1.7
69.46656	6.9
71.01385	14.1
73.02942	3.5
73.27752	1.6
83.98744	1.6
85.02969	3.3
89.02444	12.7
98.22510	2.0
101.02457	14.7
106.02923	1.6
113.02452	5.1
119.03500	2.4
131.03482	3.4
143.03497	2.1
161.04543	5.7
283.15390	2.2
302.92023	1.8
325.10803	2.1
330.13263	5.7
331.14035	2.6
373.22342	6.8
441.17645	43.9
442.17856	3.2
497.47156	2.0
504.19910	9.3
505.26797	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.6
61.98834	100.0
69.30991	3.1
71.01392	0.6
73.64217	0.3
75.00880	0.4
82.14634	0.4
83.01427	0.5
88.98833	0.4
93.03486	0.4
97.02975	0.4
109.03017	0.4
123.04578	0.8
125.02490	0.7
137.02391	0.5
137.06104	0.7
140.10896	0.3
151.07681	0.5
167.03506	1.1
179.03458	0.4
181.05171	1.2
183.70155	0.4
206.75647	0.5
209.04689	0.9
223.06209	1.3
235.06329	0.8
239.05664	0.5
265.07196	6.6
295.08252	3.9
325.09476	1.4
367.10449	0.4
385.11594	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48666	5.7
56.07957	6.3
59.01382	64.7
61.98829	24.0
68.98595	30.1
68.99022	42.4
71.01387	47.7
73.02946	20.6
80.22603	8.5
85.02972	15.6
89.02453	56.3
90.56871	6.3
99.00893	14.6
101.02464	30.7
101.57806	6.8
109.03020	8.1
113.02451	17.0
120.99673	68.0
125.02429	18.1
131.03557	15.1
149.04584	30.4
151.00421	9.8
160.03479	6.4
161.04585	21.1
163.08063	6.4
206.95586	6.2
239.12807	7.7
271.02554	15.1
295.91519	7.5
300.02869	13.3
301.03580	26.4
329.16083	19.6
373.22336	8.4
461.20319	100.0
505.20895	31.5
516.35901	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42669	1.6
59.01378	22.6
60.01601	1.8
69.10930	4.6
69.11334	12.1
71.01390	23.9
81.06888	1.7
85.02952	2.3
89.02451	36.7
99.00927	1.8
99.04523	2.2
101.02437	10.4
113.02466	3.1
125.02472	12.7
131.03505	16.5
143.03575	2.1
149.04567	14.2
161.04524	2.6
165.84839	2.0
167.10791	100.0
168.11189	3.6
191.05615	6.5
208.84557	1.8
220.67404	1.8
293.08780	13.2
298.90250	1.9
343.17044	1.8
496.00507	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45353	0.7
55.94132	0.8
57.03441	0.9
59.01383	1.1
61.98835	100.0
73.89607	0.8
87.00897	1.6
90.46337	0.8
101.06039	0.8
112.37267	0.7
121.02973	3.4
191.05566	1.2
309.07574	0.9
383.11462	7.4
486.32593	0.9
502.48932	0.8
503.33276	3.9
504.34106	13.5
505.34888	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.9
61.98833	100.0
71.01382	2.9
87.00867	1.1
89.02460	6.8
94.29296	0.8
98.21819	2.6
104.36990	0.8
109.97878	0.9
110.75392	0.9
153.36992	0.7
157.33913	0.9
182.07996	0.8
249.05188	0.8
301.85925	1.1
383.29553	0.9
384.30191	2.7
424.33118	0.9
441.22672	1.3
441.33569	1.3
442.34030	5.1
459.34967	1.3
460.35263	3.7
468.32263	2.0
485.32928	5.0
486.33047	11.4
503.33713	14.9
504.34180	57.3
505.34543	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.1
61.98835	100.0
69.07592	2.9
69.08017	3.9
71.01387	0.8
84.59607	0.7
87.00872	1.7
88.47823	0.8
89.02493	1.0
98.21882	1.4
133.86533	0.7
173.48341	0.7
205.52568	0.7
207.20143	0.8
278.22089	1.1
441.23245	1.3
503.33929	1.0
504.34293	5.2
514.22552	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09349	8.8
61.98832	100.0
66.00700	11.7
71.30531	16.2
80.42412	8.8
89.76785	9.9
107.35966	9.8
109.75468	10.0
232.69138	10.3
249.97609	13.3
475.55380	10.7
504.34161	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	4.4
57.33895	3.8
58.33567	4.5
59.49530	3.9
61.98835	100.0
62.11157	4.3
63.81564	3.9
69.71887	23.7
71.01377	5.4
76.65922	4.0
78.95899	9.1
119.12753	3.7
277.21652	20.3
278.22037	23.2
279.22418	40.3
504.34299	50.2
505.35214	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03638	0.1
59.01366	0.5
61.49894	0.1
71.01389	0.1
78.95911	7.2
80.37695	0.1
89.30595	0.1
90.14674	0.1
96.61457	0.2
96.96981	0.2
99.17044	0.1
152.99577	0.6
168.04320	1.4
224.06911	1.2
229.47377	0.1
242.08022	2.9
261.22260	0.3
266.36316	0.1
277.21719	0.4
279.23300	100.0
280.23651	6.9
460.35144	0.2
486.32846	0.2
504.30588	4.4
505.31329	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24072	100.0
79.14783	14.5
90.59888	14.3
92.95368	13.6
95.07373	16.1
97.80937	13.6
109.24411	14.9
121.44724	14.8
143.96906	18.5
174.91388	17.8
178.64638	14.5
461.32785	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.25947	0.9
66.12159	0.9
69.65823	5.3
78.62465	1.0
88.66071	0.8
98.53112	0.9
99.21138	0.9
109.36000	0.8
121.02966	100.0
122.03301	2.7
180.83723	0.9
181.06624	3.1
187.05911	1.0
189.14378	1.0
197.06110	3.0
207.04420	1.1
225.05559	2.5
313.07098	6.0
357.05981	1.5
383.11386	3.3
403.25137	0.9
417.09851	10.1
504.34210	1.8
505.11353	5.7
505.33783	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	9.9
58.00605	6.8
59.01388	69.9
61.98831	100.0
71.01389	40.1
71.31628	9.6
73.02953	14.4
85.02950	16.3
87.00894	12.1
88.98803	46.7
89.02440	73.3
93.03474	7.9
96.95996	9.4
97.02933	7.7
101.02438	30.3
103.04009	14.0
119.03486	12.3
121.02919	7.4
123.04473	9.8
125.02450	38.8
131.03474	8.7
137.02429	10.9
145.06175	15.9
151.04024	69.9
151.92656	6.2
152.97607	6.6
159.33813	6.8
161.02573	6.8
163.06096	8.0
165.01840	7.8
171.39369	6.0
175.62094	6.4
191.05623	11.1
233.06871	6.4
272.35715	7.5
283.15350	17.8
288.04379	6.8
289.07092	9.3
293.08868	16.7
307.10431	11.4
359.15344	8.7
505.19980	12.9
505.30878	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	9.9
58.00605	6.8
59.01388	69.9
61.98831	100.0
71.01389	40.1
71.31628	9.6
73.02953	14.4
85.02950	16.3
87.00894	12.1
88.98803	46.7
89.02440	73.3
93.03474	7.9
96.95996	9.4
97.02933	7.7
101.02438	30.3
103.04009	14.0
119.03486	12.3
121.02919	7.4
123.04473	9.8
125.02450	38.8
131.03474	8.7
137.02429	10.9
145.06175	15.9
151.04024	69.9
151.92656	6.2
152.97607	6.6
159.33813	6.8
161.02573	6.8
163.06096	8.0
165.01840	7.8
171.39369	6.0
175.62094	6.4
191.05623	11.1
233.06871	6.4
272.35715	7.5
283.15350	17.8
288.04379	6.8
289.07092	9.3
293.08868	16.7
307.10431	11.4
359.15344	8.7
505.19980	12.9
505.30878	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91192	0.4
57.03443	0.5
58.08613	0.4
59.01381	1.9
63.43695	0.4
69.66070	1.9
71.01379	1.1
73.02946	0.5
81.03465	0.4
83.05040	0.5
85.02958	8.9
87.00884	1.7
89.02448	1.0
93.03474	3.3
99.04562	0.4
109.02953	0.6
111.04522	1.2
113.02437	0.4
124.79897	0.4
127.04033	2.1
127.04865	0.5
160.46423	0.4
173.04539	1.0
177.06891	0.4
179.05667	0.7
180.68288	0.3
191.05623	100.0
192.06023	2.8
269.72672	0.3
270.85303	0.4
330.94089	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99591	1.0
57.03420	1.3
59.05910	0.9
69.77483	2.3
69.77872	2.3
83.88311	0.9
101.13065	0.9
101.22231	0.9
110.98495	0.9
111.08131	2.0
119.30248	1.0
121.02969	100.0
122.03257	2.3
172.38533	1.0
176.12793	0.9
205.26018	1.0
281.24649	1.3
290.02319	0.9
391.22293	3.0
461.30142	1.3
504.34369	5.6
505.28949	38.1
506.29578	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45209	0.4
69.06193	0.4
69.06514	3.8
71.01380	1.5
72.71922	0.4
73.02950	1.6
78.46559	0.4
78.95923	2.2
79.95760	0.5
89.02460	2.1
93.03455	0.4
96.97026	0.5
98.21858	0.7
121.02967	100.0
122.03278	2.3
125.36399	0.5
152.99611	2.9
171.00696	0.6
245.04300	2.8
249.43932	0.4
277.21771	2.4
383.15118	0.7
415.32242	1.4
505.35504	3.4
505.38901	3.5
506.35638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59613	1.3
55.30626	1.2
57.03442	2.3
59.01383	82.7
61.98811	5.7
68.99095	1.7
68.99306	5.2
68.99724	6.7
71.01371	6.7
73.02949	3.7
80.34226	1.2
84.81386	1.2
84.89543	1.6
87.22378	1.3
89.02439	3.3
90.43394	1.2
98.21778	2.3
99.04536	2.5
101.02436	4.0
103.77007	1.3
105.03525	1.7
125.02464	6.6
137.02495	1.8
151.04027	4.8
161.02457	16.9
161.04556	4.1
176.04773	7.5
179.03496	24.5
191.07100	4.7
194.05849	30.5
209.08197	100.0
210.08540	3.6
270.50101	1.4
283.15543	5.7
342.82025	1.3
368.09396	1.4
400.62692	1.6
469.23032	3.0
505.21722	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.9
61.98823	3.4
70.28706	1.1
70.77668	2.4
70.83116	1.0
71.01391	4.8
85.02980	1.7
86.78164	1.2
89.02466	1.9
97.37149	1.0
101.02483	2.8
103.11626	1.1
109.02963	6.1
111.00879	2.0
113.02457	1.9
116.06969	1.0
121.03001	1.2
123.00893	8.8
124.01665	7.6
125.18946	1.1
128.55919	1.0
134.03697	1.5
136.01677	36.1
137.02516	5.0
138.03235	1.9
148.05278	1.3
149.06113	3.5
151.04025	41.5
152.04362	2.1
152.23062	0.9
161.04517	1.8
163.07628	1.7
164.04784	2.4
165.05611	10.7
175.07666	5.9
176.08449	1.6
180.11752	1.0
191.07166	4.2
235.31335	1.3
241.05090	1.3
295.09723	1.9
310.12131	3.1
325.14496	2.6
328.13120	12.6
343.15524	100.0
344.15955	8.6
359.13766	1.4
365.81036	1.2
419.84882	1.0
425.37683	1.1
505.20404	3.0
509.31744	1.1
521.19891	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
58.00587	2.2
59.01382	44.5
60.01730	1.1
69.82755	3.4
71.01383	14.6
72.99302	3.1
73.02958	4.0
75.00871	1.2
83.01403	1.3
85.02959	6.5
87.00898	1.7
89.02451	8.1
95.07854	0.8
96.62972	0.7
97.02959	0.9
99.04557	1.8
100.68986	0.8
101.02431	6.3
103.04027	1.7
108.02197	1.4
109.02973	8.1
113.02441	1.4
119.03526	1.8
123.04511	1.5
125.02483	1.0
127.04010	1.4
159.04524	3.0
161.04573	3.2
169.06822	0.8
172.05283	1.2
173.06059	3.0
187.07706	1.1
189.05603	2.0
190.06404	1.1
199.09702	1.3
203.07225	1.0
217.08675	1.3
240.04335	1.2
241.04999	4.4
253.05045	2.5
255.06708	2.6
267.06668	1.0
268.07474	2.5
269.07959	1.4
272.30688	0.9
279.06793	1.0
281.08121	4.2
283.09747	2.1
295.09845	3.5
299.09265	2.7
300.02780	1.1
309.11212	1.0
310.08258	1.0
311.09360	10.0
311.12720	1.6
312.09518	1.3
313.10858	5.2
325.10892	0.9
326.11542	8.0
327.12262	1.9
329.10312	1.1
341.13937	17.2
342.14474	1.5
343.11932	1.7
344.12720	10.2
345.13303	1.2
359.14993	19.4
360.15485	1.7
425.12677	1.4
447.08878	1.0
505.20807	100.0
506.21011	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.9
58.00582	2.0
59.01385	49.5
61.98829	1.7
62.13337	0.9
62.33553	0.9
63.83884	1.0
69.09937	8.5
70.38908	0.9
71.01028	1.5
71.01389	20.1
72.99293	3.0
73.02956	6.0
81.03465	1.4
83.01417	2.1
83.05035	1.2
84.46681	0.9
85.02956	9.1
87.00882	2.1
87.90472	1.0
89.02450	10.2
91.79543	0.9
98.22601	1.2
99.00894	1.1
101.02445	10.1
103.04031	2.5
109.02966	8.8
113.02425	1.9
119.03504	2.5
119.60704	1.2
123.04533	3.2
125.02475	2.4
131.03513	3.4
132.03860	1.3
147.04561	1.0
149.04527	1.1
151.03979	1.0
159.04535	3.6
161.04547	4.2
172.05315	3.6
173.06084	5.5
186.83046	1.0
187.07649	2.6
189.05614	3.0
190.06339	1.9
191.05621	2.4
191.07162	1.2
203.07167	1.1
241.05072	5.4
253.05061	2.1
255.06593	2.9
256.07205	1.2
267.06619	2.4
268.07382	2.6
279.06705	1.6
280.07401	1.7
281.08374	4.8
283.09760	2.0
295.09793	6.3
296.10449	2.4
299.09174	2.8
311.09338	9.1
313.10812	8.6
325.10873	2.6
325.20233	3.6
326.11667	7.6
327.12366	2.0
329.10309	2.2
341.13928	13.9
342.14496	1.6
343.11789	1.9
344.12637	13.8
345.13162	1.8
359.14996	30.8
360.15347	2.1
373.22202	6.5
461.31680	1.1
505.20743	100.0
505.26630	7.3
506.21051	8.0
506.27173	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75827	0.9
57.03450	5.8
58.00588	2.2
58.64241	0.8
59.01382	43.2
61.98837	1.0
63.20325	0.7
63.99690	0.8
66.05772	0.8
69.90647	2.1
69.91032	2.1
71.01378	12.6
72.99306	3.3
73.02966	6.2
76.45171	0.9
79.68525	0.7
80.91668	1.5
81.03464	2.2
82.54507	0.8
84.22797	0.9
85.02956	9.7
87.00890	0.9
89.02453	6.4
96.96043	0.9
99.04529	5.4
101.02446	6.6
103.04000	2.7
108.02193	1.1
109.02937	12.0
113.02455	1.8
119.03465	1.7
123.04529	2.7
125.02448	2.2
137.09720	1.9
140.31261	0.9
143.03502	1.0
155.10809	5.1
159.04553	4.7
159.44911	0.9
161.04568	10.2
172.05295	3.3
173.06133	6.2
187.07608	2.5
188.33185	1.0
189.01273	0.9
189.05577	2.1
190.06503	1.3
191.07178	1.1
193.60806	1.0
199.09814	4.5
200.28073	0.9
203.07155	2.3
217.08690	1.3
239.07225	1.0
241.05072	6.4
241.10785	1.1
253.05113	3.5
255.06631	4.1
263.07446	1.7
265.08621	0.9
267.06577	2.9
268.07413	3.4
279.06699	1.7
280.07446	2.1
281.08170	5.5
283.09860	2.4
294.08966	1.1
295.09814	7.6
296.10529	2.2
297.11157	1.1
299.09335	2.9
311.09311	12.6
311.12668	1.5
313.10788	7.5
325.10901	2.8
326.11612	12.4
327.12241	1.3
329.10333	2.0
341.13937	22.7
342.14246	1.6
343.11664	1.3
344.12680	15.5
345.13052	1.1
359.15005	34.6
360.15329	2.5
361.14838	1.5
363.14755	1.1
505.20868	100.0
506.21069	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.0
57.03436	0.8
59.01096	1.2
59.01385	21.0
68.98805	0.8
69.21497	3.4
69.21922	3.2
71.01385	17.7
72.99299	0.9
73.02959	6.3
83.01382	2.2
85.02959	7.8
87.00866	1.9
89.02460	12.6
97.02971	1.7
98.22552	1.7
99.00872	2.4
101.02448	12.5
109.02971	2.5
113.02477	6.7
119.03510	4.2
121.02966	10.7
122.03767	6.1
123.04507	2.8
129.01944	0.9
131.03500	8.8
132.05511	0.8
135.04543	1.4
143.03563	1.8
149.04567	2.9
149.05977	1.0
154.02658	1.1
155.48112	1.0
159.03107	1.2
161.04550	7.6
161.06082	3.0
163.04083	2.1
163.11340	1.0
179.05574	2.3
189.05513	1.1
190.06348	2.0
191.05595	3.7
191.07092	3.8
299.12921	1.4
313.10767	2.7
313.16635	2.4
328.09314	1.7
328.13159	34.0
329.13550	2.2
343.15512	100.0
344.15857	8.8
373.22260	18.3
374.22580	1.4
431.20847	0.9
445.20673	2.5
461.25540	1.1
479.46045	0.8
505.25143	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75613	1.4
58.00594	3.3
59.01384	100.0
61.98835	8.0
69.20445	9.4
71.01391	41.1
72.99286	4.4
73.02942	8.6
81.03420	1.6
83.01380	1.7
85.02964	9.2
87.00900	1.8
89.02454	54.5
89.25068	1.3
93.67688	1.4
99.00859	1.8
101.02441	16.6
103.04025	7.8
108.02177	2.4
109.02998	7.1
109.03616	1.4
110.92868	1.7
113.02468	4.0
119.03505	6.8
121.02972	6.5
122.03748	2.0
123.04510	4.2
127.04046	3.8
131.03502	6.6
131.68028	1.4
145.05070	4.4
149.04556	3.4
158.03661	2.2
159.04530	7.3
160.05305	15.1
161.04552	5.6
161.06061	4.1
163.06120	6.3
171.04533	1.4
172.05263	9.3
173.06120	7.0
175.03908	1.9
175.07635	5.4
179.05614	1.6
187.07640	2.9
189.05577	15.3
190.06361	22.0
199.98322	1.6
205.08710	21.4
237.71802	1.8
238.09000	1.5
265.08755	1.7
280.07483	1.4
281.08212	6.2
293.08661	1.4
295.09906	1.9
296.10577	12.6
310.08484	2.1
311.09555	2.5
311.12796	12.9
313.16504	13.2
326.11624	2.4
341.13950	97.1
342.14355	8.5
445.20694	5.2
505.20758	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26016	1.7
57.03434	6.8
58.00582	3.0
59.01382	100.0
60.01731	1.9
61.98843	3.7
69.03445	2.1
71.01385	50.9
72.99304	4.8
73.02959	11.5
83.01418	4.3
85.02966	22.3
85.08631	1.9
87.00905	2.8
89.02448	42.5
96.96025	2.5
97.02971	1.9
99.00889	6.4
99.04542	3.7
101.02451	34.4
101.91258	1.7
103.04018	2.2
103.28166	2.1
109.02958	4.2
113.02469	19.2
119.03506	7.7
125.02463	6.5
127.14558	1.7
129.38895	2.1
131.03505	36.9
141.84732	1.9
143.03525	4.3
149.04573	18.4
155.10779	3.1
159.03024	2.7
160.05286	4.6
161.04562	24.4
161.05898	3.4
173.04555	4.6
175.07623	3.3
189.05634	3.6
190.06468	4.1
191.05632	8.9
194.86325	2.1
195.33203	1.8
199.13342	2.4
205.08763	5.0
206.25999	1.7
296.10568	3.3
311.12747	3.1
313.16605	60.3
314.16885	2.2
326.11609	2.2
341.14017	22.6
373.22339	3.0
445.20795	17.1
446.20950	2.4
453.29233	2.0
490.63074	2.0
505.20129	3.1
505.26782	6.6
528.32410	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71794	2.3
55.01892	2.9
59.01093	5.4
59.01387	100.0
61.98827	5.3
63.52753	2.5
71.01390	53.9
73.02966	15.0
73.16860	2.3
80.91697	6.1
83.01404	9.3
85.02960	23.7
87.00873	19.0
88.98813	4.3
89.02451	35.2
91.76428	2.7
95.01382	5.8
99.00880	6.9
101.02451	54.5
112.03952	3.4
113.02479	24.6
119.03523	5.2
122.43661	2.5
125.02443	4.6
131.03523	48.9
143.03525	5.3
149.04573	13.9
159.02985	4.9
161.04561	27.8
191.05661	7.9
200.89816	2.9
313.16571	92.0
314.16953	8.0
343.15488	3.3
373.21967	4.3
445.20914	31.4
505.26538	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86066	0.9
55.01875	1.2
57.03437	2.0
58.00582	2.8
59.01381	100.0
61.98827	3.2
63.28517	1.1
71.01385	43.2
71.30998	1.8
72.33772	1.0
72.99302	2.4
73.02956	6.8
83.01398	1.8
85.02953	8.8
87.00893	1.1
89.02451	80.5
90.02805	1.3
95.01409	1.1
99.00892	6.0
101.02446	30.1
104.49709	1.2
113.02457	9.1
119.03506	5.9
125.02429	3.5
129.01920	2.8
131.03510	50.2
146.59778	1.1
146.61197	1.0
149.04567	42.7
151.93927	1.0
158.02837	0.9
161.04478	1.3
165.09195	2.8
173.04555	1.4
191.05618	41.7
207.10262	1.0
221.06664	1.1
251.07690	1.2
280.07098	1.0
309.99249	1.0
445.20486	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.2
71.01382	1.8
71.31927	0.9
74.80806	0.6
78.95910	11.7
81.30344	0.6
89.02452	2.6
96.96941	1.1
98.09338	0.7
116.68121	0.7
138.61491	0.6
145.20328	0.8
149.13379	0.7
152.99612	18.5
171.00638	1.8
227.03259	3.6
245.04213	1.8
277.21738	100.0
278.22095	6.8
415.31180	1.0
505.25754	25.1
505.34436	8.5
506.26053	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34697	0.6
54.92206	0.8
59.01379	2.5
59.37497	0.7
61.98833	1.0
65.66394	0.9
69.08210	0.8
70.08549	0.8
70.92841	1.7
78.95914	26.9
96.96963	2.4
121.02982	0.9
129.09286	0.9
150.97960	0.8
152.99608	41.2
153.28503	0.8
153.99899	1.1
162.83904	1.1
171.00717	2.0
195.50578	0.8
227.03247	7.0
244.96385	0.9
245.04285	2.6
277.21747	100.0
278.22058	7.5
300.42920	0.9
413.20630	1.3
505.25806	48.3
505.33582	2.6
505.39142	3.3
506.26022	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2657
Annotation	Foliasalacioside E3
Peak:m/z	Relative Intensity
55.01879	6.2
57.03452	5.5
58.00596	3.7
59.01383	100.0
60.01714	0.8
61.98851	0.6
69.03453	2.1
69.08784	4.6
70.32367	0.4
71.01386	97.1
72.01739	0.8
72.99314	5.3
73.02950	21.4
75.00873	1.3
81.03460	0.6
83.01395	13.4
83.64533	0.5
84.02223	0.7
85.02956	34.2
86.00106	0.8
87.00883	5.2
87.04498	0.5
89.02450	66.1
90.02863	0.5
94.97171	0.5
95.01390	5.1
97.02982	3.1
99.00889	9.9
101.02448	70.6
102.02810	0.9
109.02977	0.4
111.00892	4.5
113.02458	31.9
114.02847	0.6
115.04008	2.0
116.92863	0.8
119.03507	12.8
124.52296	0.5
125.02465	6.2
129.01990	2.1
131.03513	52.1
132.03841	0.8
143.03508	7.1
149.04568	19.2
154.52892	0.5
159.02995	4.0
161.04562	28.8
162.04919	0.6
167.01360	0.4
173.08170	0.7
179.05635	6.9
191.05637	13.6
198.10782	0.4
215.05522	1.1
233.06659	3.5
251.07643	0.5
272.48148	0.4
293.08737	1.0
300.02924	0.7
325.20203	0.5
331.12122	0.5
355.21124	0.5
373.22321	57.7
374.22678	4.1
415.14777	0.5
505.26553	46.9
506.26907	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
55.08201	0.7
57.03454	3.7
58.00581	2.1
59.01383	69.1
61.98832	1.9
68.71498	0.8
69.03460	1.3
69.13805	5.8
71.01389	30.1
71.05032	3.7
72.99308	2.3
73.02939	3.1
75.00845	1.0
83.01395	2.0
85.02959	7.7
85.06593	1.1
87.04513	5.8
89.01890	1.3
89.02451	24.6
95.01417	2.1
96.96000	1.0
98.22674	1.5
99.00872	1.1
99.04539	1.1
99.08177	1.6
100.12137	0.9
101.02449	17.7
109.02962	1.2
109.06645	0.9
113.02464	9.0
115.04024	50.0
119.03531	9.0
121.10258	2.5
123.04539	0.8
125.02457	2.0
129.05641	1.0
131.03517	2.3
133.10268	5.2
143.03491	1.5
149.04597	1.3
151.04018	1.5
157.39192	0.7
161.04616	4.0
161.05826	1.1
173.04773	0.7
173.08250	5.8
173.13326	2.3
175.14919	3.2
177.01973	1.3
179.05630	2.4
179.10825	2.0
187.15010	1.5
191.05635	0.8
193.44067	0.9
219.13867	4.5
227.18048	1.3
237.14951	12.8
249.15015	1.4
267.16040	3.3
283.15515	15.7
289.07239	1.3
289.18240	1.8
295.09808	1.1
307.19119	4.7
325.20206	83.7
326.20544	8.0
331.17657	2.7
343.21170	1.3
373.22195	2.4
461.27390	1.5
463.22095	1.4
487.25662	1.6
505.26578	100.0
506.26865	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.273
Annotation	Ixabepilone
Peak:m/z	Relative Intensity
67.46777	0.5
69.03590	4.6
69.20290	0.5
71.11137	0.5
74.13346	0.5
75.67843	0.5
79.78663	0.5
84.82813	0.5
101.87376	0.6
257.81964	0.6
441.05780	0.6
474.96204	0.6
505.27307	100.0
506.27621	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2937
Annotation	Vielanin A
Peak:m/z	Relative Intensity
61.98809	1.3
69.03782	5.1
78.95916	1.9
94.28276	0.7
96.96022	0.8
152.99622	1.6
208.86105	0.7
299.97687	0.8
300.64780	0.7
375.62216	0.7
457.27060	1.4
459.28848	1.5
487.28241	3.1
505.29382	100.0
506.29599	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2939
Annotation	Vielanin A
Peak:m/z	Relative Intensity
53.05156	0.4
57.03449	2.2
58.69733	0.4
69.03445	0.5
78.95909	2.2
82.00650	0.4
83.05067	0.4
95.05024	2.2
96.96008	0.4
109.06631	0.9
111.04543	0.8
111.08167	5.1
124.54841	0.4
144.58739	0.3
149.05939	0.3
151.07433	0.8
155.07123	0.6
168.49837	0.4
177.05331	1.6
224.06902	0.8
281.24875	8.2
297.71268	0.4
319.16809	2.2
327.23300	1.9
347.20181	0.5
367.22156	0.6
369.24335	1.1
391.22589	5.3
392.22986	0.5
392.28195	0.4
399.07703	0.4
411.21548	0.5
423.29236	1.0
445.27463	3.8
461.30322	3.5
487.28372	1.2
505.29398	100.0
506.29617	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81126	0.4
54.08157	0.5
59.01364	0.5
61.98817	0.7
69.00185	3.9
69.95799	0.4
73.89060	0.5
88.60352	0.4
133.06598	1.0
135.08160	0.6
180.26523	0.5
193.85492	0.6
206.79622	0.6
287.20300	0.7
377.28641	0.6
455.25473	0.6
457.27585	0.9
459.28748	5.3
460.28909	0.6
461.30240	1.2
471.12927	0.5
477.29691	0.7
489.26294	0.6
503.27954	2.6
505.29398	100.0
506.29672	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12413	26.7
70.19583	100.0
74.16440	24.3
82.94120	25.5
107.59347	30.9
359.83493	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31343	21.5
70.75890	45.3
70.76221	23.0
79.88990	20.5
83.11782	24.3
109.73695	22.0
110.74934	21.9
135.94746	21.2
232.75587	21.7
254.16669	22.9
386.70703	21.4
387.00681	23.7
410.77994	22.2
425.34567	30.6
469.33200	100.0
470.33725	34.4
473.87802	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77838	2.8
62.27258	2.6
71.32748	5.3
79.39989	2.3
84.53525	2.3
85.06618	5.5
93.82095	2.4
159.29453	2.6
201.97894	2.5
270.64462	2.5
292.93356	2.7
397.51443	2.8
425.34198	4.3
451.54156	2.8
469.33276	100.0
470.33569	11.9
486.44046	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05704	0.7
59.01384	7.3
61.98835	100.0
71.01386	5.2
73.02960	0.9
78.73919	0.9
80.91698	1.0
82.95431	1.5
83.01401	1.1
85.02959	1.7
89.02452	3.8
97.56287	0.7
99.00874	1.0
101.02458	3.4
105.05692	0.7
113.02473	1.5
125.02435	0.9
131.03491	3.7
149.04643	1.6
161.04605	1.2
163.16956	0.8
165.09259	1.3
191.05678	1.6
215.22192	0.7
271.09720	0.9
315.18240	4.5
330.14755	1.0
345.17267	1.4
447.21960	3.4
507.22226	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	6.9
58.03019	2.3
59.01373	32.1
61.98829	27.5
69.31537	7.1
69.31959	10.0
71.01390	42.5
73.02950	12.7
81.01860	2.5
81.41125	2.4
83.01412	5.7
85.02953	18.4
88.04032	4.3
88.86427	2.4
89.02446	19.3
93.03448	3.7
95.01436	3.8
99.00880	5.6
101.02455	31.9
103.55434	3.2
108.02190	8.3
113.02465	18.6
119.03490	5.3
123.04538	12.2
124.04913	2.7
125.02460	17.0
131.03503	18.2
137.02350	3.7
143.03499	3.2
149.02432	3.9
149.04549	3.9
150.03227	3.9
151.03976	3.4
161.04576	35.7
167.03482	6.5
179.03464	6.9
188.85938	3.0
220.06891	2.8
326.11337	3.4
327.12494	5.6
331.17645	100.0
332.18103	8.9
343.11832	6.2
344.12292	6.8
345.09851	17.1
357.13431	3.5
413.79938	3.3
423.65808	3.1
463.21875	45.1
464.22232	3.6
506.16464	7.0
507.14948	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.5
57.03457	11.1
59.01381	81.8
61.98817	19.7
66.90564	3.9
71.01035	7.0
71.01392	100.0
71.96696	4.1
72.99320	4.8
73.02956	27.0
80.81520	4.4
81.87070	4.2
83.01394	12.3
85.02955	48.0
87.00906	7.2
87.49249	4.1
89.02444	50.2
95.01390	5.3
99.00851	6.3
101.02445	68.4
111.00927	6.7
113.02452	34.6
114.02745	4.6
118.92813	4.2
119.03519	7.9
125.02453	12.2
131.03517	50.5
133.02972	12.1
135.04526	5.3
143.03487	8.3
149.04573	17.0
150.03212	5.1
152.96315	4.7
159.03023	8.2
161.04587	46.8
176.70285	4.6
179.03606	10.4
191.05618	5.3
237.08875	4.8
255.20869	4.1
275.89285	4.7
288.33890	4.2
327.08820	7.3
331.17615	43.9
344.15714	5.5
374.22656	18.6
374.88965	4.7
375.23737	28.1
463.21890	21.4
506.20950	14.6
506.27466	25.7
507.20587	18.1
507.28009	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81512	7.0
59.01374	9.8
59.52099	6.8
61.98839	100.0
70.98738	8.1
71.31913	8.7
71.48640	9.9
88.66139	7.9
106.04678	7.8
107.87743	8.4
148.73306	8.4
156.41118	8.5
163.07655	9.8
163.75389	7.2
177.09209	9.8
243.35249	8.2
272.50281	9.2
293.22125	8.1
329.00000	8.3
334.50763	7.8
463.25092	10.6
507.23978	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43858	28.4
70.92739	24.2
71.30565	31.5
78.95911	49.4
104.00164	27.4
121.02895	28.3
139.61960	30.0
146.53029	30.1
152.99567	65.6
227.56468	30.3
245.04303	100.0
279.23227	59.1
294.53912	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33877	2.2
61.98825	2.4
62.77213	2.0
63.07848	2.1
70.18408	6.4
78.95911	12.2
84.44825	2.7
120.92318	2.5
121.02979	3.4
135.23753	2.6
138.45570	2.7
152.99583	10.7
176.39679	2.1
198.02077	2.2
279.23312	22.8
281.24893	100.0
282.25229	5.4
506.31210	4.6
507.27313	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.3
59.01390	8.4
59.61805	0.7
61.98827	2.9
71.01385	10.4
71.05040	0.8
73.02943	2.6
75.00861	0.9
83.01381	1.6
85.02952	4.6
88.98808	1.2
89.02469	4.4
96.96027	0.9
98.91235	0.7
99.00891	1.3
101.02441	6.5
102.02819	1.1
113.02436	2.5
131.03503	2.6
146.03696	0.9
149.02475	0.8
150.03188	0.9
151.00403	2.5
152.77376	0.7
161.04567	3.4
177.02003	1.2
178.99782	0.9
179.03502	1.0
191.05602	1.5
202.02698	1.6
213.01895	1.9
229.49672	1.0
230.02219	4.4
241.01460	8.9
242.02237	25.5
243.02975	4.4
257.00916	2.8
258.01721	23.8
259.02328	2.1
269.00958	2.5
270.01672	8.2
271.02417	3.1
272.03268	5.3
273.04074	26.8
274.04407	1.9
286.01257	13.6
287.01978	2.5
287.05637	6.9
301.03558	22.2
302.03900	1.2
314.00613	1.5
315.01508	5.6
315.05093	3.0
316.05878	8.4
329.03064	12.1
330.03925	4.9
332.17902	1.4
344.05392	43.1
345.06091	15.4
345.13293	1.1
346.06631	1.5
375.23898	5.6
376.24225	1.0
387.07275	1.2
440.63290	1.1
507.11490	100.0
507.27399	7.0
508.11810	9.9
508.28445	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38805	0.4
58.61356	0.3
60.40581	0.4
71.32427	0.5
78.23877	0.3
85.66631	0.4
87.49310	0.4
93.03489	0.8
98.21356	0.3
99.70594	0.4
104.53048	0.4
121.02965	100.0
122.03296	2.8
201.58035	0.4
267.06656	0.4
270.01703	0.4
276.21100	0.5
281.04602	1.1
285.04120	0.6
300.06213	0.6
339.08740	3.1
355.08447	0.7
370.10587	2.3
385.12988	4.8
386.13577	0.5
481.11923	0.4
507.16721	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97008	4.3
56.12084	5.1
57.03460	32.6
59.01380	39.8
60.99317	6.8
61.98843	41.0
69.53173	22.4
71.01384	27.0
80.46137	5.3
83.01395	9.7
85.02957	8.9
87.00916	6.2
88.98798	46.9
89.02451	72.9
99.04531	10.6
101.02461	16.1
109.02982	17.1
113.02495	8.0
120.99657	20.3
121.03018	5.9
123.04501	24.9
125.02463	100.0
132.47371	5.1
133.03008	7.8
136.01610	6.9
137.02469	17.5
150.15425	5.1
151.04008	36.0
152.51854	5.0
161.02467	19.1
161.04655	5.9
165.01950	9.6
167.03496	10.5
175.03978	11.8
177.01939	20.6
179.03427	8.2
187.83775	5.0
243.02956	27.3
255.03145	6.7
259.02353	8.3
285.17117	9.9
289.07181	15.1
315.09232	6.6
345.09662	10.0
345.13245	6.2
363.16608	6.6
507.07104	8.8
507.20728	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.1
58.00581	2.2
59.01385	35.5
60.01716	0.7
61.98825	2.4
64.75696	0.9
67.87464	0.7
71.01388	26.5
71.30513	1.1
72.99302	2.8
75.00890	0.8
75.93619	0.7
77.94217	0.8
78.35820	0.7
82.95418	2.1
85.02943	3.9
87.89198	0.7
89.02451	27.3
93.03416	0.8
94.23238	0.7
101.02476	3.4
105.03461	0.9
107.01418	0.9
108.02176	3.9
109.02967	1.8
113.02445	2.3
117.03453	2.0
119.03529	1.0
121.02991	5.3
123.00871	0.8
123.04525	3.2
125.02461	2.2
131.03540	1.3
132.02197	1.4
133.02959	7.0
135.04570	0.9
147.04527	1.6
149.02481	4.1
149.04547	3.2
150.03201	1.8
151.00325	1.3
153.01894	1.0
160.01669	3.1
161.02466	1.9
161.04568	1.0
162.03226	5.9
163.04031	0.9
164.04819	0.8
166.06354	8.2
169.01442	2.0
174.64499	0.8
175.03854	1.6
177.01967	9.0
177.05550	2.6
178.02542	1.3
178.27007	0.8
179.07175	0.9
181.08694	1.5
193.05040	2.3
225.09146	0.8
234.57120	0.7
236.55948	0.8
241.08540	0.8
242.01974	0.9
242.22151	0.8
268.51572	0.7
269.08087	1.8
300.09998	0.8
311.09247	7.0
329.03036	1.3
342.11072	14.4
345.05988	0.9
345.13583	1.0
357.13446	100.0
358.13846	8.6
360.15680	0.9
361.15286	0.9
386.46902	0.7
433.93729	0.8
465.23074	0.8
477.18793	1.2
507.11206	2.1
507.19571	9.3
507.28207	2.5
508.19565	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1875
Annotation	Hirsutanonol-5-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01352	0.4
60.13042	0.3
61.98824	1.1
67.01891	1.5
69.01251	3.6
71.01369	0.5
75.99345	0.3
81.03447	0.4
95.01403	1.1
97.84986	0.3
98.21792	0.6
101.36389	0.3
107.01431	0.9
108.02184	71.1
109.03047	3.4
111.00896	1.1
119.69273	0.3
123.00912	8.1
123.04534	63.8
124.01682	1.4
124.04867	1.7
125.02426	0.3
135.04549	3.6
138.03265	0.5
147.99487	0.3
149.06100	1.3
162.03226	3.2
175.03996	4.2
176.04851	1.5
177.01979	0.3
178.02711	0.5
179.07112	2.0
180.07944	5.4
190.02675	0.5
191.03539	0.6
191.07243	0.4
194.02264	0.6
205.05104	1.0
206.05861	15.7
207.06631	15.6
208.06871	0.6
221.08202	47.4
222.08525	1.8
256.03708	0.4
269.08377	0.4
287.09296	0.9
299.09222	0.7
315.08810	0.7
330.11108	4.4
331.11508	0.4
345.13446	100.0
346.13770	7.5
410.43860	0.3
467.54279	0.4
507.18509	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.188
Annotation	Hirsutanonol-5-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.02148	0.8
57.03449	1.3
58.00595	2.5
59.01383	39.6
61.98833	4.5
65.48756	0.9
69.15337	7.7
71.01385	28.1
72.99312	2.1
83.01384	1.5
85.02943	4.6
87.00864	1.6
89.02451	26.3
98.09099	0.9
98.22526	1.7
101.02448	4.0
108.02191	16.3
109.02946	5.9
113.02463	3.8
119.03468	1.1
123.00897	4.3
123.04535	12.6
124.01718	2.0
125.02446	2.9
129.11220	0.9
131.03513	3.8
135.04561	1.1
136.01674	68.1
137.02068	1.3
145.02983	1.1
146.03757	3.3
149.04602	5.7
150.03230	1.0
151.04016	100.0
152.04369	2.9
159.04538	4.3
160.05304	16.2
161.04636	1.0
161.05994	1.5
171.04556	1.3
175.04041	3.0
175.07649	18.3
176.04820	2.5
187.04065	1.3
188.04817	1.5
203.06963	1.2
206.05855	2.6
207.06615	2.4
221.08191	8.7
223.07495	1.0
235.07549	2.3
251.07016	4.8
262.06424	1.2
263.07147	6.4
264.07745	1.0
265.08508	1.1
267.06647	3.1
269.08484	0.9
278.05997	1.5
278.09500	4.2
279.06647	11.0
282.08997	2.0
293.08151	3.4
294.08987	11.6
295.09421	1.3
297.08136	1.1
297.11435	3.4
309.07886	1.6
309.11313	13.7
312.09930	2.6
315.12369	1.3
320.91409	1.0
323.09372	1.1
324.09998	1.7
327.12387	53.3
328.12869	5.1
335.34424	1.0
339.12366	13.0
340.12619	1.2
345.13431	18.3
345.17340	1.6
346.13956	1.2
354.35587	1.0
357.13486	1.9
474.02417	1.0
507.19263	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.202
Annotation	Kirondrine
Peak:m/z	Relative Intensity
55.71966	0.1
59.01377	0.5
69.03436	0.2
71.01378	0.2
71.05022	0.6
71.31281	0.2
72.99336	0.2
78.95901	0.5
79.95734	0.2
83.05035	0.2
85.02980	0.2
93.03462	0.5
95.05058	0.2
97.02975	0.3
117.32222	0.1
119.05039	7.4
120.05383	0.2
121.02968	47.2
122.03299	1.1
125.02460	0.2
135.08177	0.2
137.02481	0.4
143.05043	0.5
151.03976	0.3
151.07568	0.2
161.04504	0.2
173.04558	0.2
176.63260	0.1
183.04520	0.2
185.06065	0.5
191.05724	0.2
196.03830	0.2
197.11757	0.2
199.04086	0.3
207.06496	0.1
211.04031	0.5
211.07695	0.2
211.13443	0.2
212.04811	0.4
213.05576	0.4
215.03360	0.2
226.02765	0.5
227.03477	0.6
227.07143	0.6
228.00711	0.6
228.04218	0.3
229.01398	0.3
229.05116	0.4
237.05650	0.3
239.03430	0.2
240.04387	0.5
241.01456	0.5
241.05110	0.6
241.08798	0.2
242.02095	0.3
242.05820	0.6
243.03000	1.0
243.06584	0.3
244.07356	0.2
245.00688	0.2
253.01392	0.5
253.04929	0.2
254.02307	1.1
254.05914	0.2
255.02979	0.5
255.06630	3.4
256.00174	0.6
256.03873	0.9
256.06479	0.2
257.00977	1.9
257.04572	1.0
258.05298	0.6
265.05069	0.3
266.02191	0.3
267.03003	0.7
268.03958	0.3
269.04630	1.0
269.08228	0.6
270.05322	0.2
270.08954	0.5
271.02521	4.2
271.05978	0.6
272.03223	1.5
272.06143	0.2
273.04037	0.3
273.07675	0.2
281.04523	0.6
281.08011	0.3
282.05338	1.9
283.06091	1.3
284.03113	0.4
284.06750	0.3
285.04083	3.0
286.04846	2.9
287.05557	1.8
288.06158	0.3
296.07138	0.3
296.10605	0.4
297.07736	2.9
298.08444	0.5
299.05624	2.8
299.09027	0.2
300.06415	2.0
301.07230	1.4
303.06650	0.4
304.07468	0.2
307.05933	0.2
309.04111	1.2
309.07388	0.3
310.04895	1.2
311.05630	0.4
311.09171	0.3
311.22293	0.6
312.02869	0.2
312.06311	0.4
312.10077	0.5
313.04056	0.2
313.10718	0.4
314.07993	1.2
315.08795	2.8
324.06372	0.3
325.07205	3.1
326.07886	1.7
327.05139	32.8
327.08594	2.0
328.05643	3.8
328.09525	0.3
329.10251	1.1
331.06046	0.8
332.06964	0.4
337.11072	0.2
339.08743	0.5
340.09506	2.0
341.10281	1.3
342.07462	23.2
342.10928	1.1
343.08099	4.8
344.08859	0.2
344.12802	0.2
347.05630	0.3
347.09290	0.3
348.06189	0.3
354.10867	0.2
355.11911	2.4
356.12402	0.4
357.09818	48.1
358.10474	12.0
359.05579	0.8
359.10742	0.6
362.04147	0.4
372.07568	0.3
372.12140	2.0
373.07770	0.2
373.12955	3.0
374.07706	0.4
374.13129	0.3
375.08472	0.3
375.12677	0.3
376.05878	0.5
377.06476	0.8
387.08920	0.9
387.14496	3.9
388.09360	0.2
391.08093	1.4
392.08975	0.7
401.10370	0.2
401.24774	0.2
402.11105	0.3
403.11981	0.7
404.09067	0.2
405.09686	0.3
406.10550	0.2
407.11313	0.5
417.13538	0.7
418.14221	0.2
419.11444	0.5
429.09738	0.4
430.10611	0.9
431.11301	2.5
432.11761	0.3
433.16379	0.3
434.13733	0.3
444.11807	0.3
445.12930	2.3
446.13687	1.9
447.10406	1.4
448.11420	0.2
449.16089	2.1
450.16122	0.2
459.14667	0.5
460.15347	1.2
461.16095	1.2
462.13007	1.5
463.13528	0.2
463.24979	0.5
464.32800	0.2
475.17664	1.3
477.15558	12.2
478.15720	1.2
492.17938	38.7
493.18304	4.2
507.20236	100.0
508.20538	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20330	0.5
51.29048	0.5
57.13277	0.4
69.03448	0.6
70.58548	1.0
75.72585	0.5
81.86432	0.4
92.59281	0.4
100.24090	0.6
121.02966	100.0
122.03300	3.8
125.14921	0.5
136.50781	0.5
141.31340	0.5
152.66495	0.5
228.04425	0.6
237.09236	1.2
241.08815	1.9
253.08752	2.2
255.03078	1.2
256.10916	0.8
268.11029	1.1
269.08197	5.7
270.05545	0.7
281.08197	17.0
282.05414	1.0
282.08597	0.8
284.10522	3.6
293.08243	1.1
295.09769	1.4
296.10535	9.6
297.04184	0.8
297.07642	5.3
299.09940	0.8
299.12885	3.7
308.07135	3.6
308.10373	1.0
309.07727	6.8
310.08453	1.0
311.09579	0.8
311.12881	5.1
312.10059	2.0
313.07349	0.6
323.09366	4.2
324.09958	6.0
325.07190	9.6
325.10690	1.2
327.12399	7.8
338.11734	3.2
339.12341	12.0
340.09506	4.1
340.12949	1.1
353.13882	3.3
354.14661	2.9
355.11865	33.0
356.12186	2.5
370.14194	19.7
371.14532	1.6
385.16583	59.2
386.16855	4.8
472.27707	0.5
507.30890	16.1
508.31378	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62780	0.4
60.11749	0.4
69.81471	0.4
85.48890	0.4
86.30974	0.4
88.12538	0.5
88.72884	0.4
98.22598	1.3
119.05027	5.0
121.02971	41.9
122.03331	1.0
143.05022	0.5
183.17691	0.5
185.06099	0.7
212.04770	0.6
228.00334	0.6
240.04457	0.4
243.03194	0.6
254.02150	0.5
254.05705	0.5
255.06645	1.8
256.03818	0.7
257.00977	1.1
257.04517	0.8
257.59073	0.4
258.05429	0.5
268.03860	0.7
269.04553	0.7
270.08762	0.4
271.02496	2.6
271.05222	0.5
272.03235	0.8
281.08481	0.5
282.05325	1.4
283.06339	0.9
284.03403	0.5
285.04059	2.4
286.04858	2.0
287.05621	1.7
288.06287	0.5
297.07687	1.1
299.05673	2.1
299.08624	0.5
300.06525	2.1
301.07294	0.5
309.04166	1.1
310.05026	0.9
312.09888	0.5
314.07928	1.0
315.08667	1.9
322.08331	0.5
325.07159	2.9
326.07950	1.8
327.05133	23.5
327.08472	1.3
328.05527	3.0
329.10330	0.9
340.09509	1.6
342.07486	15.0
342.11566	1.0
343.08203	3.4
355.11896	1.9
357.09821	37.3
358.10498	7.8
372.12115	1.3
373.13000	1.7
387.14453	2.5
391.08121	0.9
392.08908	0.5
431.11481	1.7
445.12805	1.2
446.14035	1.1
447.10587	0.6
449.16000	1.4
460.15164	0.6
461.15921	1.3
462.13419	1.0
475.17590	1.2
477.15619	10.5
477.22482	0.5
478.15735	0.8
492.17938	37.8
493.18405	4.5
507.20276	100.0
508.20572	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.58233	0.6
70.91299	1.2
82.96790	0.7
83.66284	0.7
87.91333	0.6
93.03493	1.1
113.17095	0.7
121.02966	100.0
122.03295	3.0
139.36665	0.8
166.12189	0.7
216.75677	0.7
249.83615	0.7
299.97198	0.7
313.19189	1.2
383.28925	0.7
507.19885	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48231	0.6
69.16049	4.2
70.96018	0.5
78.09064	0.4
78.95902	1.0
89.77713	0.5
121.02968	100.0
122.03303	2.1
152.99588	1.3
241.08687	0.6
253.08633	0.6
269.08240	2.3
281.08203	7.7
284.10544	1.5
295.09787	1.1
296.10522	5.1
297.07660	2.0
299.12927	1.6
308.07101	0.7
309.07788	4.1
310.08496	0.5
311.12830	3.1
312.10068	1.4
323.09354	1.7
324.10068	2.9
325.07187	3.8
325.10669	0.9
327.12326	4.3
337.11020	0.6
338.11594	1.7
339.12375	7.1
340.09277	2.6
353.14047	1.0
354.14645	0.6
355.11877	18.5
356.12344	0.9
370.14273	14.2
371.14749	1.0
385.16583	41.1
386.16946	2.9
388.16815	0.4
437.62305	0.5
507.30807	6.1
508.31085	0.6
534.23376	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.204
Annotation	Mortonin D
Peak:m/z	Relative Intensity
50.88898	0.4
59.55363	0.3
59.83212	0.3
69.03977	3.0
72.33993	0.3
78.33662	0.3
78.95932	0.7
79.18168	0.5
93.03407	0.5
98.21857	0.7
114.27625	0.4
121.02967	100.0
122.03310	2.5
125.23203	0.3
152.99585	1.2
153.41879	0.4
269.92477	0.3
279.23218	4.1
281.08203	0.6
296.10605	0.6
299.12863	0.5
325.07343	0.4
327.12564	0.5
355.11987	2.4
370.14215	1.4
371.14880	0.6
385.16568	9.4
493.16916	0.4
506.29767	0.9
507.20340	1.5
507.30551	9.2
508.31207	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.0
61.98842	1.9
73.96741	1.5
78.95906	4.1
89.65125	2.0
91.40315	1.6
93.80140	2.0
94.80492	1.5
96.60099	1.7
97.06589	1.8
98.21789	3.3
98.28033	1.9
107.77673	1.9
112.56154	1.6
113.09730	3.3
121.02970	100.0
136.05313	4.1
140.01205	1.8
148.05341	8.1
162.06929	2.5
163.07643	8.5
169.86789	1.8
223.13428	3.2
271.02310	2.1
283.30890	2.1
293.21216	18.1
326.07974	2.5
327.05103	7.0
327.08771	3.5
342.07489	2.9
343.21277	14.5
357.09772	12.2
389.42044	1.8
431.11383	2.8
446.13632	2.8
477.15543	6.1
489.28931	9.2
492.17966	46.8
493.18271	7.1
507.20209	94.4
507.29480	14.0
507.35715	2.4
508.20584	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51526	1.5
58.00578	1.7
59.01386	53.6
67.09702	1.4
71.01388	29.3
71.25952	1.4
73.02942	2.5
81.43636	1.3
83.01347	1.7
83.44842	1.9
85.02962	3.9
87.00835	2.1
89.02452	55.4
97.02940	1.8
98.06686	1.5
99.00841	1.8
101.02450	19.3
108.83262	1.8
113.02460	9.8
119.03508	7.2
121.02995	4.8
124.69914	1.4
125.02465	11.5
131.03513	30.8
143.03455	3.5
147.04590	3.2
149.04579	21.8
150.03276	2.0
158.03749	4.5
159.04532	9.5
160.05299	15.6
161.04662	2.3
161.06071	6.2
163.04158	2.5
164.04793	1.7
167.10786	69.9
173.06078	2.5
175.07686	10.2
177.05591	3.3
178.06378	1.5
179.05605	6.1
191.05655	11.5
205.24191	1.7
209.37242	1.7
218.20793	1.6
225.05621	3.8
226.06412	3.4
237.05673	3.1
253.05089	4.2
254.05836	8.4
255.06696	4.2
268.07166	1.8
269.08218	20.1
270.08951	3.7
283.09915	2.8
284.10535	1.9
293.08813	13.2
302.07990	2.1
315.18152	3.2
316.09616	2.9
375.87466	1.8
432.15771	4.3
447.17987	4.9
459.17807	2.2
461.20441	2.4
462.16849	1.9
477.19247	100.0
478.19699	10.5
507.20367	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.5
59.01383	100.0
61.98817	4.5
69.79722	6.0
70.91705	1.8
71.01381	16.2
73.02932	3.2
85.02955	5.0
89.02453	11.9
98.21624	1.5
101.02440	9.9
113.02454	6.1
119.03538	4.1
123.04531	2.2
125.02449	6.8
151.04022	3.0
154.83348	1.8
160.08214	1.9
161.04590	7.1
165.09160	2.4
167.03506	2.2
167.07187	3.3
179.03430	1.8
179.05664	2.0
179.07091	3.3
181.05077	27.5
196.07407	30.2
205.13998	1.7
211.09775	72.8
217.61543	1.9
235.08235	4.9
345.09708	3.8
345.15778	21.5
373.14801	2.0
447.18616	3.4
484.92072	1.9
507.21359	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25309	1.9
55.01878	3.1
57.03441	4.1
58.00581	1.9
59.01098	3.9
59.01384	75.1
61.98827	8.5
65.35667	1.7
69.03455	2.5
69.37646	11.3
71.01385	82.6
71.83610	1.6
72.99294	3.5
73.02959	17.7
74.99110	2.0
75.00867	2.4
77.92995	2.2
81.25042	1.7
83.01389	8.9
85.02962	25.4
87.00898	4.8
89.01893	2.3
89.02449	43.8
93.03470	4.4
94.59872	1.7
95.01408	6.4
99.00883	6.8
101.02444	45.8
109.02963	2.5
113.02464	34.5
119.03516	12.9
119.05019	2.3
123.99027	1.7
125.02472	2.7
131.03508	3.3
135.48083	1.7
140.07224	3.1
143.03497	5.4
149.04630	3.9
155.98334	2.1
159.03000	5.6
161.04570	34.0
165.09203	5.4
179.05612	13.9
191.05690	10.9
227.07033	2.1
285.17078	3.4
301.16571	18.9
332.18011	2.5
345.15552	100.0
346.15884	6.4
444.29575	1.8
447.22235	9.0
507.10837	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88205	0.5
55.01878	1.2
57.03432	1.1
58.00595	0.5
59.01387	13.4
61.98829	1.2
64.70023	0.5
67.34657	0.5
69.41154	2.9
71.01389	8.9
72.99299	0.7
73.02953	3.2
82.39100	0.5
83.01400	2.4
84.88063	0.5
85.02962	4.6
87.00886	2.2
89.02446	4.7
95.01421	0.8
96.96004	0.5
99.00902	1.5
101.02453	6.4
108.02186	6.2
109.03016	0.9
111.00903	0.7
112.15850	0.5
113.02464	2.5
119.03539	1.5
121.02956	0.6
121.51130	0.5
123.04557	5.5
125.02468	0.5
129.49409	0.5
148.05359	1.1
149.02477	0.5
149.06073	1.2
161.04530	0.6
163.07680	0.9
167.03589	1.1
200.04793	3.2
210.03270	1.4
211.04059	3.4
227.03458	3.3
228.04294	29.5
229.05011	11.5
230.05396	0.9
243.06631	53.0
244.07166	5.3
255.06607	0.5
256.07449	2.7
257.08188	3.0
258.08987	8.1
271.09781	6.3
272.10229	0.6
313.14392	0.8
315.12476	0.8
330.14697	7.8
331.15717	0.9
345.17065	22.6
346.17383	1.4
383.17334	0.7
477.19025	1.2
492.20471	0.8
507.22391	100.0
508.22751	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.3
57.03446	1.0
58.00587	1.0
59.01387	12.3
61.98832	3.7
66.44318	0.8
71.01385	9.7
71.30978	1.5
73.02943	3.1
83.01379	2.4
85.02971	4.4
85.05527	0.7
87.00867	2.1
89.02460	1.7
99.00926	1.4
101.02466	5.4
109.02968	0.9
113.02447	3.3
113.03571	0.7
121.02956	0.9
125.02515	1.0
131.03477	2.1
160.49117	0.8
161.04532	2.6
167.10721	2.0
172.05257	0.9
183.04478	0.8
183.31287	0.8
194.61385	0.8
199.03938	0.9
200.04803	3.2
201.05594	1.3
211.04012	5.2
212.04781	4.8
213.05635	1.9
214.02715	1.6
227.03511	2.6
228.04308	9.7
229.05031	12.8
239.20808	0.8
241.05038	3.8
243.06660	5.4
256.07458	5.7
257.08212	2.3
271.09796	16.1
272.10156	1.6
287.13065	1.7
297.11325	0.9
299.12866	1.5
303.27048	0.7
313.14368	1.7
315.12460	8.6
315.18182	7.1
316.05621	0.8
316.13068	4.1
317.13821	1.0
330.14774	14.7
331.15543	6.9
345.17044	13.8
373.16391	1.1
447.22342	4.7
477.17865	4.4
492.20023	9.5
493.20511	1.1
507.22385	100.0
508.22815	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.5
56.62860	0.9
57.03439	1.8
59.01086	1.4
59.01383	19.5
61.98837	4.4
64.44861	0.8
64.90046	0.7
65.18272	0.9
65.53423	0.8
68.99821	0.7
69.05244	8.0
70.05026	0.8
71.01031	1.3
71.01389	14.2
73.02959	4.9
83.01397	3.0
85.02966	7.4
87.00878	2.4
89.02456	5.4
92.77135	0.8
95.01389	1.5
99.00892	2.0
101.02456	8.9
108.02190	5.9
111.00902	0.9
113.02518	4.7
119.03504	2.2
123.04551	4.9
131.03525	2.4
148.05338	1.2
161.04553	2.8
163.07629	1.0
177.34193	0.8
191.05624	0.9
200.04802	2.5
210.03215	1.2
211.04091	2.6
227.03523	2.7
228.04295	26.6
229.05074	15.6
243.06633	51.1
244.07262	6.7
256.07394	1.9
257.08212	2.4
258.09000	6.4
271.09775	6.6
272.10281	1.0
313.14661	1.7
315.18149	6.6
327.15799	1.3
330.14725	9.2
331.15405	1.6
343.35739	0.9
345.13092	0.8
345.17056	22.5
346.17529	1.7
383.17319	1.4
447.22354	9.3
507.22400	100.0
508.22604	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.7
57.03455	1.0
58.00585	0.7
59.01384	14.0
59.74103	0.2
61.98833	0.4
63.68559	0.2
68.99810	0.3
71.01389	10.5
71.11655	0.2
71.31181	0.2
72.99320	1.0
72.99650	0.2
73.02953	3.0
75.00868	0.3
83.01393	2.5
84.88050	0.2
85.02959	4.7
86.00099	0.4
87.00887	2.2
89.02452	4.4
95.01398	0.7
97.02985	0.2
99.00899	1.7
101.02454	7.8
102.43146	0.2
108.02178	5.5
109.02970	0.6
111.00884	1.0
113.02459	3.4
119.03501	1.7
122.03703	0.4
123.04536	6.6
129.01964	0.3
129.34241	0.2
131.03526	0.3
143.03471	0.2
148.05312	1.1
149.06096	0.2
159.03047	0.2
161.04593	0.4
163.07664	0.9
172.05362	0.2
175.07654	0.2
188.08446	0.3
199.04088	0.5
200.04802	4.4
201.05322	0.3
203.10823	0.6
210.03238	1.5
211.04019	3.2
212.04733	0.2
227.03511	3.7
228.04300	35.4
229.05034	13.5
230.05341	0.5
241.05077	0.4
243.06631	61.8
244.07179	6.1
255.06671	0.5
256.07440	2.6
257.08200	3.4
258.08984	7.6
259.09210	0.4
270.08969	0.3
271.09784	6.8
272.10114	0.5
313.14453	0.8
327.15939	0.6
330.14734	7.6
331.15192	1.5
345.17075	22.4
346.17441	2.2
383.17117	0.7
492.19962	1.4
493.21130	0.2
507.22366	100.0
508.22672	11.1
508.30258	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.239
Annotation	Dihydroornativolide
Peak:m/z	Relative Intensity
55.79862	0.6
57.03444	2.0
59.01373	1.2
61.98808	0.8
65.68126	0.7
69.03444	2.8
71.01368	1.6
71.05017	0.8
71.31976	1.4
80.02666	0.8
83.05013	0.7
84.61336	0.6
85.02945	2.8
95.05023	2.2
97.02969	1.4
99.04515	0.9
105.07086	0.9
108.02188	3.2
109.06613	1.2
119.08675	6.7
121.06589	4.4
123.08144	0.7
125.09701	1.0
133.06610	1.0
133.10274	1.0
135.08142	1.4
137.09737	32.5
138.06877	0.8
139.07666	1.0
139.11296	2.4
149.09752	1.0
151.07661	20.3
152.08131	0.7
163.07622	1.2
173.09666	1.4
173.86041	0.7
175.11288	3.4
177.09216	0.6
185.09755	1.2
191.10738	1.9
193.12422	1.7
195.08252	0.8
197.09784	4.6
199.11264	0.9
211.11256	7.2
212.08344	0.9
213.12865	3.8
223.11351	1.2
225.12875	2.7
227.14388	4.4
235.11340	0.7
237.12865	1.0
239.10916	0.8
239.14497	1.3
241.12355	1.4
245.15536	0.9
251.14528	1.1
253.12323	2.3
253.16063	1.7
255.14044	1.0
263.14426	1.1
265.12451	0.9
269.11823	2.2
269.15399	1.2
271.13489	0.6
277.15903	1.5
279.13757	1.2
281.15518	1.8
283.13412	1.0
295.17169	0.7
297.18527	1.7
319.20654	0.9
335.20129	0.9
355.15683	1.1
377.24927	1.6
383.23706	1.7
385.21707	0.9
391.26791	0.9
401.24921	5.3
403.22693	0.8
405.20322	1.4
417.24347	1.1
419.26001	7.6
420.26086	1.4
421.23694	0.8
427.22577	1.4
445.23813	5.4
463.24936	23.5
464.25143	2.9
471.21384	0.7
474.20630	1.9
489.23029	7.0
507.23883	100.0
508.24374	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25635	0.5
55.01888	0.5
57.03447	2.5
58.87006	0.4
59.01384	4.8
60.16617	0.5
61.98838	4.3
62.06293	0.5
65.03958	1.0
69.03438	0.6
69.06427	5.6
71.01398	3.0
71.05042	2.5
73.02946	1.2
76.90087	0.7
79.05502	0.5
82.11246	0.5
83.01374	2.2
83.05031	0.8
85.02954	1.5
89.02457	2.4
94.65434	0.5
95.05042	0.8
95.84357	0.5
97.06567	0.6
101.02457	1.4
105.07110	1.0
107.05032	4.6
109.06580	0.8
113.02447	0.8
115.04026	1.9
119.03493	0.6
119.08701	1.3
121.06612	0.8
121.10326	0.6
131.08681	0.7
132.48973	0.6
133.06551	0.6
139.07671	0.5
144.05800	0.9
145.06630	1.7
147.08167	2.2
149.09732	1.5
150.06841	1.7
155.08629	1.0
157.06554	1.5
158.07387	0.7
159.08133	1.2
159.11763	2.5
163.07715	0.7
171.08157	1.6
172.05321	0.6
173.06046	0.7
173.09724	1.3
175.07693	0.7
175.11217	1.0
179.05637	0.8
185.09729	2.8
187.07695	1.2
187.11285	1.4
189.09288	0.9
191.10814	0.7
196.08934	0.8
197.09718	1.6
199.07620	2.4
199.11328	0.7
201.05582	2.0
202.06279	1.0
203.10788	2.0
209.09685	1.3
211.11288	75.8
212.08487	0.9
212.11613	4.3
213.09302	2.5
215.10782	1.7
223.07738	0.6
223.11287	1.7
225.09187	1.4
225.12894	0.8
227.10756	1.0
229.08722	2.5
229.12152	0.9
230.09473	3.1
237.12668	0.6
247.06354	0.6
247.15002	0.7
249.12859	0.9
251.10966	0.8
251.14436	0.8
253.08759	0.6
254.09505	0.7
255.10306	2.1
261.12787	0.9
265.16046	0.9
277.15915	0.9
291.17578	0.7
301.15884	0.7
315.17551	0.8
317.19058	2.0
317.22614	0.9
325.16046	0.9
327.16928	0.8
329.19186	1.4
333.18539	0.8
335.20151	2.0
339.17340	0.7
343.20798	1.4
345.17053	1.9
351.17654	0.6
353.19180	0.8
357.22290	1.5
359.19910	0.7
359.23782	3.2
361.21774	1.2
365.22726	0.9
367.20737	1.8
368.21408	1.1
369.18344	2.5
375.23474	0.6
377.20743	0.7
377.24863	1.8
379.19177	5.0
381.17105	1.1
381.22232	1.0
383.23831	23.9
384.24185	1.7
385.21738	2.9
386.22522	1.0
389.21280	0.9
399.18246	4.1
399.22919	1.0
401.24918	8.2
403.23022	3.8
409.21597	1.0
410.15887	1.7
412.20590	0.6
417.24258	0.7
419.26016	3.2
421.23669	0.7
427.22760	17.8
428.23032	2.4
429.20557	1.9
435.21820	2.1
445.23816	11.6
447.21783	5.6
448.21902	0.7
463.25674	7.6
464.25665	0.9
465.22781	2.8
471.21960	3.9
489.22842	100.0
490.23175	11.8
507.23871	48.4
507.32727	2.7
508.24329	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04254	2.0
50.39862	1.9
53.86161	1.9
55.01876	2.0
57.03456	5.4
57.70038	2.2
59.01381	42.9
61.98833	4.7
71.01389	30.2
71.05020	4.5
71.32095	2.4
72.63306	2.2
72.99332	2.9
73.02953	10.1
76.16897	2.2
83.01416	3.8
83.05030	2.3
85.02964	9.8
87.00890	2.8
89.02452	25.3
95.01402	3.5
101.02451	16.6
105.07113	3.2
107.05014	3.1
113.02470	11.4
115.04037	3.6
119.03511	11.6
131.03471	3.7
139.69193	2.2
145.06613	3.9
147.08200	5.3
150.06865	3.1
157.06641	3.2
158.03781	4.3
159.08244	5.3
160.01788	2.1
162.06848	2.5
165.02066	2.2
171.08183	4.8
172.05321	5.0
173.06071	8.4
173.09834	2.8
174.06859	2.3
175.07745	2.3
179.05615	4.4
185.09709	3.5
186.06874	4.9
187.04062	7.1
187.07668	14.3
187.11273	2.7
191.10899	2.7
199.07710	4.1
200.04837	4.5
201.05617	28.6
201.09184	10.9
202.06313	17.2
203.07179	3.9
211.11234	21.7
213.09239	8.6
215.07161	3.1
227.10818	3.8
227.14452	3.4
229.08710	41.6
230.09464	52.5
231.10165	5.0
240.74541	2.1
241.12421	2.2
255.10216	5.8
261.12714	2.4
313.19302	2.2
315.26129	2.3
317.19241	4.6
317.22791	3.7
327.25616	3.5
331.97052	2.8
335.20172	4.4
343.20898	4.8
345.26590	4.1
377.24768	2.7
379.19244	8.1
383.24103	12.0
385.21811	4.6
401.25049	10.2
403.23154	4.6
409.15112	8.5
410.15845	27.4
419.25998	3.3
427.22836	11.0
429.20621	4.9
445.23868	18.6
447.21902	10.7
463.25674	15.0
465.22849	4.6
471.21902	4.8
476.71307	2.4
489.22852	100.0
490.23538	11.0
507.24054	71.6
507.32068	12.8
508.24542	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
57.39335	1.1
58.00587	1.6
59.01385	100.0
60.01708	1.4
68.73215	1.1
69.41386	9.1
71.01391	37.7
72.99318	2.0
73.02965	2.1
75.10121	1.3
82.86690	1.1
83.01398	2.2
85.02958	6.4
87.00875	2.6
89.02453	55.5
93.03503	6.2
93.03970	1.2
95.19651	1.3
99.00854	1.8
101.02453	21.3
113.02460	13.4
119.03508	15.7
131.03519	44.2
143.03485	3.3
149.04573	22.0
153.55713	1.5
153.57350	1.1
161.04550	4.5
169.06467	1.3
179.05626	18.1
191.05673	14.5
206.97325	1.3
212.84920	1.2
213.05629	6.9
218.36032	1.2
251.07713	1.5
315.18155	3.3
447.22290	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	6.9
57.03447	5.2
59.01381	100.0
61.24352	4.3
61.42710	3.8
61.98824	8.6
69.26740	5.8
69.27144	30.2
71.01381	66.4
71.05122	4.5
71.42993	4.1
73.02943	23.6
82.95422	17.6
83.01394	8.9
85.02966	27.6
87.00870	6.6
88.98804	22.6
89.02451	58.0
96.59188	3.7
99.00869	10.6
101.02441	51.9
113.02456	21.5
123.04500	6.2
131.03502	31.2
148.05322	3.8
149.04538	8.4
149.06023	5.1
153.09258	12.1
159.02930	7.8
161.04594	15.7
228.04317	32.2
229.04997	13.6
243.06621	54.5
245.61423	4.3
248.23647	4.0
258.08942	9.2
271.09772	5.9
315.18094	64.7
330.14853	7.9
345.17139	19.5
445.64285	4.8
447.22202	87.2
448.22910	6.3
507.22290	99.0
507.30005	3.9
508.22800	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2735
Annotation	Epiamauromine
Peak:m/z	Relative Intensity
53.01413	0.6
56.31485	0.6
59.15074	0.6
59.69370	0.6
61.94044	0.8
65.57185	0.8
68.41647	0.7
78.95911	18.8
96.68727	0.6
96.96959	1.2
109.56490	0.8
121.02934	0.9
123.08171	1.5
138.06897	0.8
152.99603	24.7
171.00667	2.0
227.03331	4.3
231.87605	0.8
245.04285	1.4
279.23312	100.0
280.23718	7.7
281.24960	0.9
454.61502	0.8
507.27341	53.7
508.27902	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56184	0.7
56.59085	0.6
74.64765	0.6
78.95520	2.8
78.96030	20.0
96.97073	1.3
98.22701	1.4
104.64460	0.8
121.03097	3.3
152.99599	29.3
171.00719	1.6
183.73578	0.7
196.89531	1.1
216.03239	0.9
227.03302	5.0
249.09647	0.7
279.23306	100.0
280.23657	8.5
282.25223	1.3
340.87720	1.0
347.39056	0.7
357.09763	1.1
375.98029	0.7
474.02365	0.7
475.28363	0.9
489.29382	2.1
498.46872	0.8
507.26816	46.3
508.26950	2.6
516.64789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67726	0.3
55.01883	5.4
57.03449	4.2
58.00603	1.7
59.01384	36.2
60.01718	0.5
61.98838	1.9
69.03454	1.1
71.01385	66.4
71.31653	0.6
72.01723	0.6
72.99317	2.5
73.02949	22.4
75.00883	1.6
81.03474	0.7
83.01389	11.4
84.02200	0.3
85.02954	33.6
86.00093	1.7
86.03291	0.6
87.00884	3.4
89.02451	12.8
95.01389	4.8
96.96033	0.6
97.02939	1.9
97.06607	0.3
99.00890	10.4
101.02448	57.7
102.02768	0.8
109.02977	0.3
111.00887	1.9
113.02457	25.9
114.02789	0.7
115.04017	0.7
119.03526	2.4
120.99585	0.4
125.02444	2.8
129.01949	2.0
131.03511	14.0
132.03830	0.4
133.02946	0.4
143.03502	3.7
149.04555	1.9
159.02989	5.8
161.04562	36.9
162.04900	0.6
179.05614	0.4
191.05562	0.5
205.03557	1.3
213.18533	0.4
223.09764	0.8
233.06671	1.3
255.19658	0.5
261.27283	0.3
283.19025	0.3
293.08926	0.7
327.08881	0.4
332.18088	0.5
345.09869	0.5
345.13611	1.9
375.23877	100.0
376.24210	8.1
419.22873	7.9
420.23099	0.8
447.22540	0.4
464.21902	0.4
507.21442	1.9
507.28070	26.8
508.28409	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67726	0.3
55.01883	5.4
57.03449	4.2
58.00603	1.7
59.01384	36.2
60.01718	0.5
61.98838	1.9
69.03454	1.1
71.01385	66.4
71.31653	0.6
72.01723	0.6
72.99317	2.5
73.02949	22.4
75.00883	1.6
81.03474	0.7
83.01389	11.4
84.02200	0.3
85.02954	33.6
86.00093	1.7
86.03291	0.6
87.00884	3.4
89.02451	12.8
95.01389	4.8
96.96033	0.6
97.02939	1.9
97.06607	0.3
99.00890	10.4
101.02448	57.7
102.02768	0.8
109.02977	0.3
111.00887	1.9
113.02457	25.9
114.02789	0.7
115.04017	0.7
119.03526	2.4
120.99585	0.4
125.02444	2.8
129.01949	2.0
131.03511	14.0
132.03830	0.4
133.02946	0.4
143.03502	3.7
149.04555	1.9
159.02989	5.8
161.04562	36.9
162.04900	0.6
179.05614	0.4
191.05562	0.5
205.03557	1.3
213.18533	0.4
223.09764	0.8
233.06671	1.3
255.19658	0.5
261.27283	0.3
283.19025	0.3
293.08926	0.7
327.08881	0.4
332.18088	0.5
345.09869	0.5
345.13611	1.9
375.23877	100.0
376.24210	8.1
419.22873	7.9
420.23099	0.8
447.22540	0.4
464.21902	0.4
507.21442	1.9
507.28070	26.8
508.28409	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2968
Annotation	Carthamoleusterone
Peak:m/z	Relative Intensity
52.92965	3.8
57.03434	6.6
59.01380	4.2
61.93181	3.7
61.98815	5.9
69.03436	5.0
71.31875	5.9
97.02965	3.9
97.06586	7.4
99.04564	6.0
113.09731	5.1
121.02958	10.0
121.06548	4.5
123.08184	7.7
136.05345	25.9
137.02477	4.3
137.09734	4.6
139.07666	5.9
146.83720	3.4
148.05321	57.8
149.06073	11.7
155.10826	4.0
162.06920	17.2
163.07649	66.0
180.27368	3.9
273.18436	4.3
288.31540	3.9
293.21149	11.2
343.21298	89.1
344.21384	5.7
385.12845	6.2
401.25488	4.0
445.23447	5.7
463.24719	5.5
489.22562	7.1
489.28632	61.1
490.28778	7.1
507.23602	22.0
507.29932	100.0
508.30112	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30859	0.9
51.87355	0.7
67.02276	0.9
70.17413	1.8
70.17798	1.8
73.65398	0.7
78.95911	3.2
108.97162	0.8
121.02972	9.5
122.03288	1.7
144.70078	0.9
152.99602	5.3
159.76144	1.0
171.00392	1.1
179.87717	0.9
217.35135	0.8
279.23276	24.0
279.26291	1.2
280.23666	1.8
295.26227	0.9
312.22302	1.1
391.22873	1.1
411.28851	1.3
443.46561	0.8
458.31763	0.9
489.29788	4.1
507.31030	100.0
508.31311	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	1.1
71.29495	1.0
78.95899	1.0
99.04529	14.5
110.79548	0.8
121.02957	1.4
148.22073	0.8
152.99664	0.9
165.53340	0.8
180.35913	0.8
204.86281	0.8
216.47832	0.8
267.61572	1.0
365.28531	1.1
385.27481	20.0
386.28027	1.8
407.25769	2.7
473.42563	0.9
507.30933	100.0
508.31235	11.1
509.45840	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	0.6
99.04541	1.2
121.02971	14.9
144.73134	0.4
152.99606	0.8
191.78516	0.4
281.08252	1.0
296.10321	1.0
309.07654	0.4
311.12921	0.5
327.19080	0.4
339.12424	0.8
340.09366	0.5
355.11826	2.4
370.14154	2.0
385.16586	5.9
385.27484	1.1
386.17157	0.6
449.26550	0.7
461.30435	1.7
463.31866	3.5
489.29681	1.9
496.45724	0.4
507.30939	100.0
508.00076	0.5
508.31290	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.4
57.03453	6.1
58.00591	2.5
59.01382	42.8
61.98822	3.4
69.03445	1.5
69.04627	8.6
69.05042	1.6
71.01385	73.7
72.01698	1.2
72.99299	3.8
73.02950	22.1
75.00853	0.9
81.03432	0.9
83.01389	12.8
85.02951	36.4
86.00095	1.0
87.00890	4.1
89.02444	21.6
95.01395	4.6
97.02952	2.7
99.00880	10.5
99.04504	1.3
101.02450	60.8
102.02794	1.2
111.00916	5.5
113.02454	28.9
119.03531	8.0
125.02461	2.9
125.77989	1.1
126.99562	3.8
128.99286	32.0
129.01918	2.2
131.03500	2.1
131.08662	3.1
132.04549	1.5
136.07703	10.3
141.02032	1.2
141.12820	1.3
143.03510	3.2
149.04585	2.2
150.06892	1.7
151.04028	1.2
153.02911	3.2
159.03009	7.1
161.04555	28.5
163.07689	9.1
167.04483	5.9
169.06032	18.7
170.06386	1.4
171.13895	1.5
172.05312	1.5
173.05984	3.4
175.07587	1.4
176.03572	1.1
179.05647	2.0
187.03998	2.2
187.07648	4.0
190.05048	1.3
191.05608	1.5
200.04837	1.6
201.05583	9.1
201.09227	4.5
202.06381	6.0
205.03461	1.4
211.05373	3.4
211.11290	1.1
212.05563	2.4
213.05020	46.4
213.09142	2.5
214.05334	2.8
229.08685	11.9
230.09492	14.7
279.23117	1.5
283.10904	3.3
299.25928	4.2
327.25348	1.2
345.16336	1.4
345.26263	3.0
345.30099	25.0
346.30438	1.8
409.15155	2.4
410.15912	8.9
432.19232	5.0
463.26059	1.9
464.21500	1.3
476.18326	8.9
489.23376	2.4
507.23404	5.5
507.35837	100.0
508.21005	3.8
508.36166	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95554	0.3
57.03455	0.5
59.01384	1.1
61.98834	100.0
63.07244	0.4
66.44943	0.4
69.04018	3.2
89.02427	0.3
99.11684	0.4
101.02458	0.5
123.04490	0.4
125.02462	3.3
126.48465	0.4
140.07214	1.5
142.67897	0.4
149.02440	0.4
151.04028	0.8
161.02417	0.4
167.03548	0.4
177.02000	0.6
191.05673	1.8
191.62425	0.4
198.57994	0.4
243.03036	0.8
261.03882	0.6
371.17523	0.4
508.20963	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74570	6.6
59.01386	100.0
61.98839	92.2
63.91972	6.1
65.00342	8.2
71.01393	66.6
73.02980	10.0
83.01408	14.1
85.02962	16.6
89.02454	77.3
95.01426	8.2
98.22645	12.6
101.02449	41.2
111.38065	6.4
113.02492	18.2
119.03499	22.6
120.13290	6.1
120.99670	11.1
121.29348	6.3
124.01681	12.1
125.02497	11.0
129.17947	6.8
131.03534	49.9
133.30150	6.4
143.03435	12.2
146.58986	6.8
149.04597	54.2
150.15787	6.9
151.00429	20.0
152.01183	21.9
152.72018	6.3
161.04552	19.6
178.99904	13.5
179.05678	28.0
191.05768	34.4
287.01746	8.7
299.02240	8.3
319.08151	14.3
329.06595	23.2
331.17697	24.2
333.19196	14.3
345.84882	8.1
347.07886	9.3
465.23157	9.8
509.12643	39.9
509.29590	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.9
59.01375	3.2
61.98813	1.2
69.03474	1.6
71.01386	1.9
73.96492	0.9
78.95918	16.7
83.05035	3.0
97.02968	1.5
97.06582	1.1
98.22553	1.7
99.08176	2.3
109.06609	1.4
110.14636	1.1
110.95707	1.0
112.13924	0.9
113.09767	2.8
117.66795	0.9
118.11191	0.9
120.31393	0.9
123.08175	1.7
129.09244	3.8
135.04504	0.9
138.89297	1.0
139.07678	1.2
140.01241	4.1
151.07770	1.3
151.11276	1.7
152.99606	1.1
153.12874	1.3
154.80278	0.9
167.10712	1.1
169.12399	4.1
171.10236	0.8
174.24762	1.0
181.12399	4.2
183.13945	3.0
188.04538	1.1
193.12480	1.1
196.03862	3.1
197.11839	14.1
198.12105	0.9
199.13393	4.7
209.11911	1.4
211.13388	16.0
211.15108	1.5
212.13762	1.4
214.04871	7.1
265.21729	1.6
275.20331	2.2
293.21240	13.8
294.21606	1.3
311.22308	100.0
312.18301	0.8
312.19461	1.0
312.22678	6.7
403.26752	1.2
447.25467	2.4
464.25314	2.0
465.26523	4.4
491.24686	1.9
508.15826	1.3
508.26859	33.3
509.25534	19.7
532.13171	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40612	1.4
56.23188	1.3
57.03447	4.3
59.01379	2.5
61.98824	2.0
66.91737	1.5
70.94196	3.4
73.02950	3.1
78.95914	17.5
83.05031	1.5
99.04537	2.2
109.06631	1.9
113.09737	17.9
124.01695	1.9
125.02455	1.7
130.42581	1.3
139.07643	12.6
140.01193	5.0
148.05278	2.6
152.99571	4.6
163.07597	2.3
167.10814	4.0
177.56203	1.4
179.10782	2.6
179.14474	1.6
195.13948	11.7
196.03738	2.8
205.12338	3.3
209.11887	1.8
214.04898	10.8
223.13412	18.3
249.22174	2.6
293.21255	100.0
294.21509	5.8
344.21469	3.3
392.18646	1.9
397.19952	2.0
398.20776	1.7
420.18176	8.0
447.25406	2.0
464.25305	1.6
465.26648	9.8
490.23145	1.7
490.29303	1.8
508.23438	3.3
508.30032	5.8
509.25330	19.0
509.31616	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45811	9.3
55.62067	9.1
64.73698	10.2
69.63639	10.0
69.63966	59.6
93.47901	8.9
132.64609	9.0
149.02403	11.1
176.96231	10.7
197.87492	10.5
216.83759	9.9
317.51703	11.1
369.84998	10.6
403.26456	18.0
421.27670	16.3
429.24066	12.9
465.26285	22.2
508.31396	100.0
509.25601	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57545	10.2
67.24798	10.5
69.83268	56.8
74.06386	9.9
78.95908	51.4
96.97014	11.3
108.22033	9.8
138.70543	13.3
152.99588	100.0
163.74986	9.8
280.23859	14.7
297.63098	12.4
351.57562	12.8
403.31775	13.2
420.02951	12.3
434.69327	15.4
486.18130	13.3
508.31317	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	1.3
57.03452	1.9
59.01382	23.2
61.98838	9.7
62.47905	1.3
63.30539	1.3
67.01902	4.5
68.38859	1.2
71.01384	19.3
72.99307	1.8
73.02963	7.5
75.00890	1.8
76.05914	1.2
81.03458	2.2
83.01429	2.0
85.02962	5.7
87.00892	3.6
89.02457	12.5
91.64886	1.2
93.03457	25.4
95.01388	1.6
96.79366	1.2
96.96041	2.2
97.06609	1.1
99.00911	2.0
101.02441	10.8
109.02937	7.9
111.00946	1.4
111.04526	4.3
113.02476	6.4
115.43138	1.5
115.89768	1.2
119.03524	3.7
121.02981	3.1
122.03796	1.4
123.04475	1.5
125.02472	4.5
125.06107	3.5
131.03510	8.0
135.04524	4.0
137.02495	4.7
143.03519	1.8
149.04564	4.0
155.03516	4.6
155.10786	3.2
159.04515	3.2
161.04527	3.3
173.04558	100.0
174.04919	3.5
175.07695	2.6
179.05658	1.8
183.10269	4.0
187.07692	4.8
188.08540	2.0
191.05589	7.2
199.09685	1.8
211.07652	17.7
215.12894	2.1
227.07060	2.5
229.08710	23.8
245.08174	3.3
247.09744	24.6
248.10127	1.9
287.18530	2.2
291.08743	17.2
317.06650	5.8
317.16092	2.2
319.08118	1.6
331.17654	4.1
335.07587	6.1
347.11179	1.9
449.23730	3.8
463.21902	3.8
465.13821	7.1
466.14096	2.4
509.23053	15.3
510.22284	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1296
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
57.03445	6.5
59.01388	27.9
61.98560	1.5
61.98833	18.2
63.02385	3.6
65.00324	3.9
69.03462	1.6
70.71085	1.5
70.71418	2.7
71.01386	18.7
72.99319	1.6
73.02938	4.9
74.89664	1.1
75.00883	3.2
76.95270	1.1
83.01402	6.2
85.02947	5.6
86.00105	1.4
87.00893	3.0
89.02463	15.3
89.19978	1.0
95.01394	19.7
96.96001	4.8
99.00877	2.0
101.02470	11.0
107.01382	5.8
108.02168	2.7
111.00865	6.0
113.02473	8.6
119.03522	6.0
121.02969	1.5
122.99325	1.3
123.00903	8.6
124.01692	21.0
125.02467	41.5
131.03517	6.9
135.03052	1.4
135.04529	1.2
137.02457	3.1
137.72038	1.3
139.00450	5.8
149.04562	5.9
151.00385	20.7
152.01172	36.0
158.55914	1.1
161.04533	5.3
164.04807	2.4
165.01959	6.0
167.03484	3.0
169.01324	1.5
178.99866	26.9
179.03500	4.2
179.05597	4.4
179.07039	2.5
187.09813	1.4
191.05566	2.2
193.05075	1.3
203.43497	1.1
227.12961	3.1
261.07733	2.0
287.18527	1.7
299.01923	3.5
303.08777	3.0
304.05908	3.2
307.24500	1.1
314.04398	3.1
317.16037	3.9
319.08246	33.9
320.08609	3.1
320.49374	1.3
329.06775	8.7
329.10275	1.8
329.23346	3.3
331.04626	1.5
331.17645	4.5
333.40662	1.1
347.07761	36.8
347.11615	3.6
347.14957	1.5
347.24298	3.0
348.07938	2.7
449.24216	3.5
463.22107	6.4
491.11688	1.5
509.13013	100.0
509.29004	13.0
510.13309	9.0
510.30057	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.8
66.93750	1.5
67.01906	2.5
69.03459	2.3
71.01388	6.0
79.88200	1.6
83.05029	2.1
85.02950	8.3
87.00891	2.3
89.02457	2.5
93.03458	13.9
97.06594	3.6
98.21716	3.9
107.05044	6.3
108.02173	2.6
109.02959	34.4
111.04523	4.3
121.02983	6.5
122.03758	2.4
123.04583	2.6
125.06089	6.1
129.01944	1.7
134.03792	3.0
135.04533	18.7
137.02419	7.0
139.04082	1.7
155.03511	6.4
159.04523	12.0
161.02477	2.1
161.06062	4.4
169.09929	1.7
172.05302	4.3
173.04550	36.4
173.06075	8.3
175.07663	7.6
179.03456	3.7
183.08176	2.7
185.06059	6.1
187.07632	15.6
188.08475	10.0
189.09180	6.6
191.05623	39.3
191.07326	2.0
199.07715	4.2
201.05563	2.5
201.09279	3.9
209.06139	2.8
211.07657	74.9
212.07985	3.0
215.34427	1.9
227.07095	8.5
229.08717	71.8
230.09122	3.9
245.08191	38.3
246.08652	2.0
247.09763	100.0
248.10037	4.2
255.06671	4.5
273.07614	8.6
275.05655	4.7
291.08771	77.4
292.09024	5.4
317.06708	62.1
318.06958	3.8
335.07755	12.8
342.70679	1.9
353.08640	4.3
402.09802	1.9
447.12271	2.1
465.14053	19.8
466.13809	2.5
509.12796	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59632	0.7
57.82658	0.7
59.01380	13.2
61.98822	3.3
64.18246	0.9
67.01907	0.9
71.01389	8.3
71.16370	0.8
73.02947	1.8
74.99094	0.9
83.01407	1.3
83.05046	1.7
85.02956	10.0
87.00877	4.3
89.02457	5.0
93.03478	7.1
95.05019	1.0
97.06609	1.8
98.21797	1.7
101.02441	5.1
107.05011	2.0
108.02203	1.8
109.02963	11.1
111.04525	3.2
113.02473	3.5
119.03510	2.1
121.02975	2.3
122.03777	1.9
123.04535	2.8
124.01706	1.2
125.02453	2.0
125.06080	3.1
127.04022	2.5
132.02185	1.5
133.02971	4.1
134.03806	1.0
135.04536	15.1
137.02448	1.9
151.04007	1.9
155.03505	3.3
159.03203	0.8
159.04503	4.0
160.01660	4.0
161.02414	2.9
161.04596	2.2
161.05960	1.0
172.05295	1.5
173.04547	12.0
173.06027	2.7
175.07677	2.0
177.01939	2.8
179.03546	2.5
179.05652	1.1
185.06056	1.8
187.07613	4.0
188.08447	1.3
189.09229	2.3
191.05623	100.0
192.06009	3.1
209.06000	1.7
211.07669	26.4
227.07144	1.9
229.08681	28.6
230.09006	2.3
245.08188	19.5
246.08466	1.2
247.09776	24.5
248.10078	1.1
255.06691	1.4
273.07565	5.3
287.18558	0.9
291.08746	23.1
292.09183	1.5
308.09033	2.1
317.06693	34.1
317.10110	2.2
318.07095	2.0
335.07727	3.8
347.11407	1.9
352.07993	1.4
353.08762	7.4
449.23941	7.1
450.23999	1.2
465.13983	7.9
491.11914	1.7
509.13007	5.5
509.21909	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.7
63.76717	2.3
69.75724	7.9
69.76134	4.6
71.01387	10.5
73.02949	9.2
83.05029	7.3
85.02961	4.5
89.02444	13.4
93.03465	87.8
99.00912	3.2
99.04549	3.9
101.02469	10.3
111.00919	3.6
111.04539	24.7
111.05251	3.3
113.02477	3.9
119.03525	4.9
137.02460	100.0
138.02728	2.9
142.99907	4.4
155.03513	61.8
155.04749	3.5
156.03827	3.4
173.04561	55.4
191.05659	6.9
202.92200	2.2
211.07733	2.7
335.09949	57.7
336.10104	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82463	0.6
53.41204	0.7
57.03451	0.7
58.21422	0.6
59.01096	1.1
59.01384	19.3
61.98820	2.8
67.01886	0.8
71.01384	11.3
71.29274	0.9
72.35979	0.7
72.99317	0.9
73.02943	1.0
85.02961	3.9
87.00889	0.9
88.18768	0.7
89.02452	13.8
95.01390	2.4
97.07690	0.7
99.00829	0.6
101.02455	6.0
108.02187	23.9
108.62476	0.8
109.02435	1.1
111.00845	0.6
113.02448	3.8
119.03503	5.3
120.99653	1.4
121.02948	1.4
123.00898	2.3
123.04533	12.2
124.04859	1.1
125.02428	1.1
131.03610	0.8
133.02936	0.7
135.04564	0.8
143.03502	0.9
145.02943	2.0
147.04501	3.7
149.04506	0.9
149.91516	0.7
152.01164	49.3
153.01552	0.9
154.49240	0.8
158.65390	0.6
160.05342	2.9
161.04517	0.8
162.03236	16.3
166.02744	2.1
166.06277	0.8
167.03508	100.0
168.03842	3.9
177.02045	0.6
177.05591	11.0
179.05643	1.5
181.05092	1.9
191.05539	0.8
209.04416	1.5
221.08235	0.8
327.08759	7.9
329.10257	0.8
332.09354	0.6
347.07175	0.4
347.11304	12.6
348.11722	1.3
451.28937	0.7
473.20386	2.0
485.28882	0.7
489.15021	0.8
509.16599	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
59.01378	8.7
61.98817	2.6
62.09915	0.9
63.02409	1.2
65.00310	1.3
69.49966	4.6
69.50374	1.8
71.01380	6.3
73.02956	1.3
73.84260	0.9
83.01373	1.3
85.02979	1.7
85.20569	0.8
89.02465	3.8
91.01922	2.2
95.01408	5.5
98.21869	1.4
101.02464	3.4
107.01421	2.3
108.02175	23.3
109.47382	1.0
111.00891	1.8
113.02467	2.8
119.03495	1.1
121.02990	2.7
122.03751	2.4
123.00908	1.5
123.04539	19.0
124.01688	4.7
125.02447	9.7
135.04536	10.8
137.02467	1.5
139.00349	1.5
149.02438	27.1
149.04456	1.1
151.00392	9.7
152.01164	54.1
154.75912	0.9
161.04527	2.3
163.03992	1.3
164.04803	83.3
165.05431	3.9
166.02734	1.2
167.03505	100.0
168.03850	2.7
178.99876	5.6
179.07143	67.2
180.07538	2.8
181.08644	1.0
191.05515	1.1
192.23622	1.0
198.44633	1.1
209.04643	5.2
219.03197	1.1
276.54916	1.0
304.06104	1.2
314.04425	1.7
319.08231	9.0
329.06653	3.8
331.17554	6.0
347.07666	5.0
347.11380	30.8
347.15060	2.7
348.11743	2.5
463.21680	2.3
484.72989	1.0
509.12286	16.6
509.19971	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08111	2.0
59.01382	17.9
61.98823	8.8
69.31190	12.0
70.96146	1.8
71.01389	19.5
71.77905	1.9
73.02948	2.1
75.41073	1.8
82.95417	2.0
85.02947	6.6
89.02451	20.5
90.35514	1.9
101.02470	4.8
108.02183	18.3
113.02489	6.2
119.03498	3.7
121.03001	4.1
123.04552	20.0
125.02473	2.2
132.62555	1.8
135.04532	11.2
146.03696	2.5
149.02448	27.8
150.03252	3.2
152.01173	40.0
162.03215	10.9
164.04819	91.1
165.05449	5.9
166.02623	2.6
166.06367	4.0
167.03514	100.0
168.03827	2.4
177.05574	7.1
179.07153	69.4
181.08727	2.1
192.38876	2.1
194.02220	2.6
195.06651	2.8
209.04558	5.2
285.04160	7.7
327.12656	3.2
330.45206	2.5
331.17535	3.5
347.11414	28.1
348.11636	2.6
351.99509	2.2
369.31445	2.1
447.09235	6.6
463.21658	4.7
509.22534	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	44.9
64.82815	5.7
69.03460	14.7
69.57187	7.2
83.05037	6.4
93.07095	19.2
95.05042	10.9
97.02963	46.9
99.04500	12.2
109.02966	17.5
114.05634	5.9
121.06596	14.3
122.03814	7.9
123.08182	9.9
133.06595	10.1
137.06093	49.5
147.08168	13.0
147.11732	9.0
151.07661	29.6
157.10234	7.8
159.11769	22.5
162.83900	8.8
167.16840	5.7
173.09711	11.3
177.09175	5.8
187.11317	6.9
189.09315	6.2
189.12892	6.4
191.10780	24.5
199.07602	8.3
201.09212	11.4
203.10794	35.3
211.11250	9.7
213.09204	8.7
215.10551	5.4
223.07726	5.9
231.13953	10.8
239.10799	12.0
243.10298	34.4
255.10214	24.1
257.11862	9.8
287.09247	14.0
311.14194	8.4
313.15643	6.4
319.20639	13.7
327.17825	9.1
333.18729	12.4
335.23813	11.9
343.20795	13.3
369.18430	11.8
370.19257	8.3
371.16324	12.1
375.23325	7.0
377.24872	42.8
385.21765	68.4
387.19763	9.4
389.17593	8.1
403.22910	48.8
415.15393	8.6
421.23730	42.4
429.20682	100.0
430.20767	13.0
447.21777	71.8
448.21933	7.9
465.23193	16.2
473.19986	13.2
491.20847	31.8
509.23120	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	6.6
59.01384	27.0
65.03967	3.2
67.01894	3.4
67.96495	1.5
69.02786	15.2
69.03448	11.6
71.01378	2.0
71.05036	1.6
79.05526	3.6
81.03496	1.4
82.85654	1.5
83.01400	6.5
83.05041	3.4
85.02959	2.9
90.97695	1.6
91.05562	2.2
93.03460	2.3
93.07102	17.3
95.05021	7.8
97.02954	34.3
97.03593	2.0
97.06626	1.9
98.97186	1.4
99.04556	5.9
105.07129	4.0
107.05064	2.9
107.59557	1.6
109.02933	13.5
109.06610	3.0
111.04539	3.2
111.08134	1.5
112.01682	2.1
113.02504	2.1
119.08672	5.5
121.06600	7.0
122.03761	4.7
123.04550	1.8
123.08159	3.6
131.08717	3.1
133.06609	3.1
135.08154	4.8
137.02493	2.3
137.06090	35.4
137.09647	2.3
143.08714	3.8
145.06612	3.4
145.10248	3.4
147.08176	6.4
147.11810	11.0
149.06119	4.0
149.09830	2.9
151.07669	17.5
153.14954	1.7
157.06578	5.5
157.10214	2.9
158.07420	1.8
159.04552	3.2
159.08176	4.1
159.11781	16.2
161.09737	4.1
161.13284	1.5
163.07712	4.2
171.08192	4.3
171.11659	1.8
173.06035	2.2
173.09697	10.4
173.13342	1.9
175.04128	1.9
175.11279	5.3
177.09239	3.0
181.06680	2.4
183.08167	3.8
183.11774	2.6
185.06129	5.2
185.09746	5.3
186.10355	1.8
187.07675	2.3
187.11324	2.4
189.09274	3.2
189.12831	4.7
191.10809	12.5
195.08174	3.5
197.06093	4.5
197.09839	5.2
197.13373	1.8
199.07697	4.2
199.11256	4.3
200.04834	2.6
201.09250	6.8
201.12839	2.3
203.10770	22.9
203.14464	1.6
204.04317	2.4
209.09778	2.6
211.11256	4.7
212.08218	2.2
213.09230	7.6
213.12828	2.3
215.10799	4.0
215.45810	1.8
221.09709	3.4
223.07770	2.4
224.08463	2.0
225.09219	4.5
227.07271	2.8
227.10742	2.7
227.14420	2.4
228.08009	1.9
229.12395	3.4
231.13889	4.4
237.09232	1.6
237.12846	2.8
238.09995	2.2
239.10744	7.7
240.07845	2.3
240.11537	1.6
241.08777	4.0
241.12408	2.6
242.09506	3.7
243.10266	21.5
247.11258	2.7
249.12906	3.7
251.14403	4.0
253.12105	2.0
255.10318	15.9
256.10889	4.3
257.11923	4.9
259.11426	2.4
261.13022	2.4
263.10910	2.4
264.07861	1.8
265.15900	2.3
269.15656	2.3
275.14194	2.3
277.12219	2.7
277.15845	2.1
279.13959	5.2
280.11310	1.9
285.12827	4.0
287.09094	8.0
291.13922	4.4
297.12689	2.0
311.14438	2.7
313.15924	2.4
315.13937	2.9
319.20593	9.1
322.12134	1.8
323.12955	2.3
327.17596	13.0
328.18179	1.9
331.17160	2.7
333.18640	4.5
333.22134	2.1
335.23898	6.4
341.19247	2.4
343.17020	3.3
343.20691	6.6
345.18774	2.9
355.17117	2.3
359.20114	2.6
359.23950	4.0
361.21964	5.6
363.19809	5.2
369.18573	5.6
370.19461	7.7
371.16586	5.6
375.23294	2.9
377.24969	20.6
378.25174	3.0
379.15469	2.8
379.23047	2.0
385.21704	42.3
386.22260	3.2
387.19763	6.6
389.17612	8.7
403.22849	28.3
404.23315	3.9
405.20850	4.2
413.17661	5.1
414.18146	2.8
415.15665	5.2
417.35901	2.0
419.22427	3.6
421.23938	29.8
422.24310	3.7
429.20737	63.9
430.21027	5.9
433.16492	6.7
447.21765	100.0
448.22028	11.3
465.22839	29.1
466.23331	3.0
473.19949	4.7
491.20758	27.8
492.21014	3.5
509.21768	25.6
510.22113	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97877	4.2
59.01377	89.3
60.01702	5.5
61.98819	20.9
65.76315	4.1
69.08862	23.5
69.09284	18.9
71.00983	5.0
71.01385	92.3
72.99301	10.1
73.02961	27.6
75.00876	9.6
82.95395	7.9
83.01379	14.0
85.02948	42.3
87.00859	9.5
89.02447	45.0
96.96012	6.2
97.03027	5.9
99.00887	9.7
101.02450	76.2
106.48737	3.9
107.89984	4.0
112.75656	4.1
113.02481	33.4
119.03510	13.9
131.03503	68.8
143.03526	7.5
149.04570	9.0
154.99042	10.2
159.02942	6.2
161.04539	45.1
163.09006	4.3
179.05621	23.7
195.80470	4.9
247.66304	5.3
284.03009	6.3
317.16132	21.2
331.17651	100.0
335.20740	7.2
338.46472	4.6
347.11627	5.0
366.25443	4.3
376.24472	4.7
377.24536	10.1
463.21829	41.0
494.20154	4.9
509.14185	5.6
509.21786	11.7
509.28903	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
55.50381	1.3
57.03443	2.2
59.01374	4.0
61.98819	1.9
67.05516	3.2
69.03453	3.2
71.01381	9.5
73.02930	2.8
76.00294	1.5
80.02726	2.1
83.05032	3.4
85.02963	4.5
87.20238	1.4
95.05025	5.0
97.02941	1.9
97.06612	2.4
98.00127	3.1
99.00897	6.9
99.04523	10.2
105.07112	12.2
107.05041	3.5
109.06587	3.1
111.08183	8.3
117.01984	2.1
119.08678	3.2
121.02987	9.7
121.06590	3.5
122.03324	1.6
123.03556	1.7
123.04537	2.2
123.08169	11.0
124.72939	1.5
128.33304	1.8
133.06569	1.5
135.08163	5.0
136.05307	2.0
137.06120	8.8
137.09752	9.2
139.07657	25.2
147.08176	2.2
149.09740	2.1
151.07680	4.9
151.11287	8.9
153.09309	2.0
155.07199	4.3
161.09811	2.4
163.11313	3.1
163.35164	1.5
166.06313	1.9
167.07127	2.7
175.40727	1.5
177.09294	2.2
177.12885	2.8
179.07182	1.7
179.10791	2.3
181.08655	2.2
185.09616	2.7
189.09270	4.4
203.10793	9.0
207.10294	2.1
213.16319	2.3
217.12338	6.2
221.11856	3.1
243.13882	4.7
253.16006	3.4
257.15521	3.3
267.13748	1.6
269.15405	1.9
283.17160	2.4
288.49329	1.6
327.15933	1.7
341.17719	2.5
342.20212	1.6
345.17184	1.6
371.18802	2.8
385.25403	5.9
393.24203	1.8
403.26733	4.0
419.25778	2.3
421.27628	5.5
429.24524	5.3
437.27081	3.9
447.25394	12.5
465.26465	39.6
466.27048	5.9
491.24542	5.1
509.25528	100.0
510.25827	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2548
Annotation	Kadlongilactone D
Peak:m/z	Relative Intensity
50.90046	1.3
55.01881	2.2
57.03437	2.2
59.01368	4.2
60.99309	1.4
62.56482	1.1
69.03455	4.5
71.01031	1.4
71.01395	13.8
71.05008	5.5
73.02950	4.8
81.03445	1.9
83.05029	4.7
84.02173	2.9
85.02965	17.4
89.88337	1.4
95.05047	1.3
97.02981	3.3
97.06585	2.3
98.00106	74.0
99.00902	9.4
99.04526	52.4
107.05035	3.7
109.06598	12.9
111.04523	7.7
111.08144	3.2
115.00397	8.4
121.06602	9.7
123.08182	20.4
133.06619	2.3
135.08170	6.5
137.06137	3.9
138.06796	1.5
139.07645	5.6
139.70734	1.1
145.10222	1.7
147.08142	1.6
149.09795	1.6
153.09286	1.3
157.10248	2.5
161.09702	3.1
163.11328	1.8
167.45135	1.4
177.12868	2.2
179.10834	1.7
185.09749	2.1
189.09248	2.7
191.10881	1.8
192.50520	1.3
193.12306	1.7
203.10788	17.4
207.10368	2.9
213.12686	1.7
213.16528	4.7
221.11819	3.8
226.77168	1.4
229.27460	1.5
231.13898	3.2
239.14507	2.4
243.13860	5.4
257.15494	10.1
263.17975	2.0
265.15991	1.7
281.18967	2.0
297.18588	3.8
299.20233	1.9
353.21173	2.6
359.27466	4.6
364.64230	1.6
377.28952	1.7
385.25333	5.4
388.40491	1.4
403.26422	28.8
404.26627	2.8
421.27515	16.6
437.27206	1.7
447.25476	10.5
450.23724	1.7
465.26486	61.2
466.26819	6.6
491.24200	4.3
509.25467	100.0
510.25824	11.6
512.64734	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2538
Annotation	Applanoxidic acid F
Peak:m/z	Relative Intensity
57.03452	0.6
59.01373	0.5
71.01358	0.3
73.02969	0.3
79.05527	0.4
81.03458	0.6
83.05032	1.0
85.02974	0.7
93.03432	0.4
94.04247	0.3
95.05025	1.0
97.02912	0.4
97.06592	0.3
98.22624	0.5
105.07113	0.6
107.05040	1.2
109.06600	0.4
113.36141	0.3
119.08689	1.3
121.06608	0.7
121.10242	1.0
122.03748	0.4
123.04577	1.2
125.93060	0.2
131.08691	0.5
133.06630	0.8
133.10249	0.4
135.08182	1.2
136.05322	0.7
137.06108	0.3
137.09755	0.5
145.06653	0.3
147.08160	1.8
149.06058	0.3
149.09737	1.5
151.07733	0.3
153.09274	0.3
157.06656	0.3
159.08176	1.2
159.11836	0.6
161.06091	0.3
161.09714	1.0
163.07719	0.5
163.11325	0.3
165.09224	0.7
169.10265	0.3
171.11842	0.7
173.06024	0.3
173.09763	1.3
175.07668	0.3
175.11307	1.9
181.10378	0.3
185.09741	0.3
187.11331	0.5
189.12903	0.7
195.11879	0.3
197.09720	0.6
201.12743	0.3
209.11688	0.4
209.13425	1.4
211.11317	3.4
211.14929	2.6
212.11613	0.6
213.09250	1.2
213.12735	0.8
223.14815	0.4
225.09210	0.3
225.12878	0.4
227.14421	1.7
229.16037	1.1
229.73752	0.4
235.11243	0.4
237.12877	0.4
239.14482	0.6
249.12830	0.3
253.12370	0.3
263.14447	0.5
265.15906	0.5
275.14584	0.7
281.15540	0.8
283.16876	0.3
295.17236	0.6
313.18054	0.4
351.21176	1.0
357.17139	0.3
359.24222	0.4
367.24301	0.8
369.22293	1.2
370.22919	0.6
383.23972	0.5
384.24533	0.3
385.25314	2.4
386.25848	0.3
387.23163	0.5
403.26428	1.8
411.23306	0.6
421.27634	0.5
429.24493	1.6
447.25409	2.1
465.26511	3.7
473.23215	0.9
491.23944	2.5
509.25476	100.0
510.25800	12.1
527.26221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	2.3
60.13255	1.3
61.98830	1.6
68.99834	1.8
69.03459	1.9
70.93307	3.3
79.05545	2.0
83.05016	2.9
87.00875	5.5
88.98797	1.6
90.37025	1.4
99.04527	45.8
107.05046	12.0
109.06600	7.3
111.04494	3.1
121.06612	2.0
123.04523	2.3
123.08176	33.4
133.06612	3.9
135.04488	2.3
135.08156	3.4
136.05315	2.7
137.06041	1.7
137.13130	2.0
138.06906	3.6
139.07664	37.3
140.08115	1.7
147.08141	4.4
149.06009	2.5
149.09749	7.8
151.07678	13.9
155.08682	7.8
157.06580	3.7
162.07159	1.3
167.07202	2.3
169.80150	1.8
173.09688	3.8
175.11275	1.7
177.09192	3.3
183.08101	1.7
185.06027	1.8
192.87529	1.3
195.06667	4.8
208.14055	1.3
226.76567	1.4
243.17500	1.3
249.44817	1.4
300.02805	1.9
349.25284	8.3
359.23770	1.9
375.27014	13.0
377.24728	3.1
385.25525	4.1
388.66818	1.5
393.24188	51.9
393.28174	5.7
394.24689	4.4
403.26620	3.8
419.25943	51.1
420.26157	4.9
421.27808	2.4
429.24298	3.8
437.26990	57.7
438.27206	4.4
445.08719	1.5
447.25504	12.6
447.31363	1.9
463.24869	1.7
465.26617	7.8
491.24390	16.8
492.24545	1.7
509.25470	100.0
510.26114	10.0
510.32986	1.6
514.12653	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2545
Annotation	Applanoxidic acid F
Peak:m/z	Relative Intensity
50.96241	9.1
52.59186	8.7
57.03416	8.7
61.06707	8.6
71.46979	8.0
78.27610	7.9
81.39111	7.9
83.05051	11.5
87.94225	9.9
99.04522	13.1
110.03727	10.2
125.09721	100.0
135.08165	16.1
136.14285	8.0
141.00568	9.0
153.09224	28.8
213.16527	12.1
229.10681	10.2
259.68149	8.5
299.68246	9.4
311.16550	19.0
335.63489	9.7
375.26752	14.3
393.28329	18.3
421.27652	10.3
437.26892	68.9
458.50870	8.8
465.26340	36.5
509.25351	94.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78905	8.3
61.98836	10.4
70.81848	20.6
79.05554	14.0
83.05032	10.4
97.06609	11.3
109.06599	15.7
116.92832	10.4
121.02949	10.0
121.06608	93.1
123.02959	10.1
124.81346	9.7
125.06058	17.5
137.06076	50.9
147.11176	10.4
165.05560	100.0
175.30211	9.2
227.20154	11.7
271.06766	9.4
354.96786	9.1
388.81961	10.0
429.24509	10.5
465.26489	29.6
509.25336	78.3
531.13550	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2546
Annotation	Applanoxidic acid F
Peak:m/z	Relative Intensity
51.75081	0.3
57.03441	0.8
59.01091	0.4
59.01383	6.7
62.81656	0.3
65.61436	0.3
67.01882	1.2
67.61929	0.3
69.03460	25.7
69.62119	0.4
69.62521	1.5
70.03773	0.5
71.01394	0.5
73.02953	1.7
79.05535	0.3
81.03466	0.6
83.05029	6.0
85.02956	3.1
93.03449	0.4
95.01389	0.4
95.05042	0.6
97.02957	100.0
98.03267	1.7
101.16319	0.3
105.07124	0.4
107.05036	0.7
107.08675	0.5
109.02948	0.7
109.06605	1.1
109.10228	1.0
111.00874	2.1
111.08200	0.6
112.01678	0.8
113.02499	0.7
119.08661	0.7
121.06586	0.3
121.10250	0.7
121.35038	0.3
123.04553	0.3
123.08148	0.7
124.01680	0.8
125.02453	2.6
126.03242	24.9
127.04047	5.3
130.87944	0.3
132.98679	0.3
133.06610	0.9
133.10251	0.4
135.08183	1.3
137.06096	0.4
137.09698	0.6
137.58646	0.3
143.08766	0.3
145.06563	0.3
145.10208	0.4
146.71970	0.3
147.08171	1.9
149.09750	0.7
151.07649	2.8
151.11292	1.1
152.04831	0.7
157.10309	0.6
159.08165	0.4
161.09685	1.5
163.11331	1.6
169.10214	0.3
171.08185	0.4
173.09703	0.8
175.11279	0.5
177.08942	0.3
183.11848	0.5
185.09726	0.5
187.11301	2.4
189.09216	0.4
189.12856	0.6
201.12892	0.9
205.12335	2.9
211.11401	0.3
213.12894	0.4
215.14459	0.3
231.13873	0.3
238.74670	0.3
239.14149	0.3
251.14415	0.5
267.17410	0.7
269.15503	1.0
269.18961	0.7
307.20682	0.4
319.20621	0.4
321.22220	0.6
323.20059	0.4
337.21771	0.5
339.23239	0.8
349.21811	0.6
367.22800	1.3
385.25467	0.7
389.67191	0.3
403.26691	1.5
411.21906	1.3
421.27930	0.7
437.26846	1.7
447.25171	1.9
465.26703	2.2
466.26776	0.4
491.24304	1.8
509.25452	48.1
510.25882	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17762	1.4
55.01878	2.1
57.03441	3.2
59.01097	3.1
59.01384	57.8
69.70743	1.3
71.01386	25.6
71.28815	2.6
72.99306	2.8
73.02952	9.8
83.01384	6.7
83.40299	1.3
85.02956	14.0
85.41183	1.3
89.02437	5.5
95.01384	1.7
97.02952	1.8
99.00880	3.7
101.02451	32.9
113.02458	14.8
119.01645	1.3
125.02463	1.7
131.03511	32.0
159.02985	4.1
161.04549	13.0
190.65208	1.4
307.84344	1.6
317.19708	100.0
318.20050	4.7
426.70898	1.6
449.23923	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.1
59.01373	8.7
65.03929	3.2
69.00278	29.7
69.03450	6.1
72.02139	2.9
77.24348	3.4
78.95912	15.0
81.03461	6.4
83.05019	13.9
84.02168	3.3
93.03442	4.5
95.05053	18.2
97.02953	9.5
98.21789	4.7
98.39747	2.8
105.07116	17.1
107.05025	6.5
109.02954	3.3
109.06599	15.4
111.04519	11.4
113.09688	4.4
121.06567	5.0
123.08166	45.2
123.48270	2.9
125.09697	8.9
125.30581	2.7
126.08749	3.0
135.08139	5.7
139.07661	6.7
140.01189	7.2
151.07626	6.5
153.09102	4.7
161.09811	3.5
163.11288	21.0
165.12979	3.0
171.10287	31.9
185.11780	8.0
195.13821	3.0
196.03763	3.6
201.11411	4.1
207.10297	38.8
209.11844	91.0
210.12141	5.0
223.13271	9.5
224.13805	3.7
225.11356	20.9
227.12849	6.7
231.10225	5.3
237.11322	3.2
247.13472	3.6
251.12939	2.7
263.12888	6.9
281.13989	8.3
293.21271	6.4
294.21643	23.8
295.22900	3.6
299.15820	4.9
351.67966	3.2
398.93716	2.9
399.21591	6.6
421.18326	4.7
434.96063	3.0
435.23932	3.2
447.09018	3.4
465.26071	8.6
473.25330	13.6
491.25818	20.3
509.25836	100.0
510.26151	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03343	1.5
53.57163	1.9
55.01871	6.2
57.03441	7.3
58.00588	3.7
59.01091	3.1
59.01383	64.4
61.98836	70.4
69.03435	1.9
71.01387	96.0
71.31908	1.6
72.01749	2.3
72.99306	6.1
73.02950	26.7
75.00880	1.8
77.77434	1.5
82.14102	1.9
83.01393	10.9
84.95153	2.7
85.02962	39.3
86.00099	3.8
87.00884	58.1
89.02453	36.5
92.97463	1.9
95.01392	9.9
95.05055	2.2
97.02947	2.5
99.00913	11.3
99.04481	1.8
101.02453	59.5
109.06574	1.8
111.00894	4.0
111.08157	2.6
113.02457	38.9
119.03521	10.1
125.02435	5.6
129.01993	7.6
131.03503	7.3
136.05301	3.6
137.06114	2.3
143.03500	5.4
149.04555	6.2
155.10783	32.0
155.12045	1.6
159.02969	7.6
161.04567	37.4
162.04900	1.7
162.06879	1.9
167.98856	6.5
169.32062	1.6
174.34897	1.7
179.05728	2.2
187.81308	1.6
191.05646	2.5
205.08591	1.7
215.16548	3.6
228.04362	2.0
252.10841	1.9
257.15384	4.4
259.04343	14.2
260.04739	2.2
273.18665	5.2
275.20047	1.8
283.17120	2.2
285.18652	2.0
293.08789	2.3
299.20184	13.6
301.18085	5.2
301.24829	1.9
303.19647	5.5
311.20081	2.4
317.21213	7.2
327.19650	14.3
329.17319	1.3
329.21176	26.7
330.21548	2.0
345.16797	3.1
345.20654	24.4
346.20956	2.0
347.18463	2.8
347.22311	30.4
355.22720	5.2
401.23389	13.0
419.24576	7.8
449.22626	2.0
465.28195	2.6
491.26532	100.0
492.26801	9.1
509.27606	24.0
510.26407	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2888
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
59.89489	0.7
78.95908	14.6
96.96991	1.1
98.21758	2.1
119.54424	0.7
144.21260	0.8
145.18593	0.7
152.99603	27.3
161.25966	0.8
171.00644	1.5
210.13911	0.6
213.86868	0.7
227.03271	4.8
245.04379	2.0
281.24866	100.0
282.25146	5.8
377.76468	0.8
458.32388	0.7
486.91428	0.8
509.28867	47.5
510.29099	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.325
Annotation	Leptofuranin C
Peak:m/z	Relative Intensity
57.03450	1.6
61.70289	0.3
61.98826	0.4
69.27895	0.3
71.01363	0.6
78.95900	2.2
91.74272	0.3
92.02354	0.3
95.69090	0.3
102.63641	0.3
123.70886	0.3
125.69643	0.3
137.02931	0.4
148.06685	0.3
152.99577	1.4
180.61780	0.3
180.89853	0.4
183.53262	0.3
190.92448	0.4
196.89499	5.3
214.34360	0.4
281.24857	1.5
341.24548	0.5
355.26416	5.7
356.26630	0.4
357.27936	2.0
399.29111	1.4
409.23621	0.4
413.30286	0.8
415.32013	1.5
421.27316	5.2
422.27734	0.5
433.27313	1.4
435.25128	0.7
437.30542	0.7
449.30264	1.1
451.28391	0.6
491.31506	0.9
509.32513	100.0
510.32867	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3248
Annotation	Leptofuranin C
Peak:m/z	Relative Intensity
50.19669	0.3
54.18243	0.3
56.14446	0.3
63.35839	0.3
66.91814	0.3
69.06689	2.6
72.99310	1.0
83.32922	0.3
87.00861	0.3
91.47663	0.3
98.21805	0.7
112.98607	0.5
171.38364	0.3
180.90048	0.4
187.20412	0.3
196.89485	0.9
226.22171	0.4
252.09230	0.4
322.45978	0.3
355.26575	1.1
379.12491	0.3
397.31049	1.8
403.22592	2.2
405.24182	4.0
406.24875	0.5
437.29822	0.5
441.33948	0.5
446.27814	0.4
461.30170	1.6
462.30963	0.5
463.31970	13.0
464.32355	1.3
491.31625	1.1
509.32620	100.0
510.32938	12.1
510.40710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3253
Annotation	Leptofuranin C
Peak:m/z	Relative Intensity
57.03449	1.1
58.43507	0.3
60.75291	0.3
69.09006	2.9
72.01361	0.3
78.95899	0.3
101.48490	0.3
233.40671	0.3
281.24796	0.3
331.66794	0.4
383.29535	0.8
385.31113	0.7
433.27490	1.0
435.25256	1.0
447.28891	1.2
449.30060	0.4
451.28271	0.5
465.33780	0.3
484.81219	0.4
491.31506	2.5
509.32498	100.0
510.32831	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38562	3.6
69.07225	18.8
69.07641	11.1
69.55982	3.5
78.95913	49.3
122.15549	3.9
152.99605	100.0
153.99884	4.7
169.18710	4.0
433.23538	15.2
509.32510	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	2.2
61.98840	14.9
69.14310	9.4
71.01363	4.0
71.69526	1.6
73.02921	1.6
76.11452	1.4
89.02463	2.3
98.21786	3.0
101.02494	1.5
107.01376	2.3
109.02960	2.9
114.52184	1.4
121.02979	1.6
123.43446	1.2
129.41937	1.4
149.04436	2.0
151.00383	11.8
163.00352	2.3
178.99815	7.3
227.03360	2.0
243.02989	5.4
245.04457	2.8
255.03008	19.7
271.02515	34.1
272.02982	2.9
283.02347	2.1
300.02768	68.3
301.03540	47.8
302.03796	3.3
331.17465	2.4
447.09329	100.0
448.09586	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	16.7
60.64253	4.4
61.98833	100.0
67.09433	4.7
67.39457	4.4
69.37772	13.1
69.38177	15.1
71.01389	9.9
72.98492	4.0
82.31591	4.6
85.02982	5.8
88.41322	5.0
99.97023	4.0
101.02477	7.9
109.15981	4.3
127.52743	4.4
139.41060	4.8
141.07814	4.4
143.51689	4.2
163.98689	4.6
179.05374	5.2
214.16324	4.4
227.03499	28.7
255.03001	36.2
256.60696	5.6
284.03253	40.5
285.04099	12.3
335.20737	15.4
429.09958	5.2
447.09390	71.2
448.09555	7.6
467.25159	5.9
485.97662	4.5
510.23431	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.4
61.98836	100.0
62.37577	0.6
63.66553	0.5
71.01392	1.1
71.30705	0.7
71.31046	0.8
76.48775	0.6
87.00884	1.2
101.02499	0.8
125.02474	0.9
149.02489	0.6
159.88158	0.5
263.81366	0.6
429.21609	1.0
434.17233	1.2
450.23541	0.7
510.18347	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.4
61.98836	100.0
62.37577	0.6
63.66553	0.5
71.01392	1.1
71.30705	0.7
71.31046	0.8
76.48775	0.6
87.00884	1.2
101.02499	0.8
125.02474	0.9
149.02489	0.6
159.88158	0.5
263.81366	0.6
429.21609	1.0
434.17233	1.2
450.23541	0.7
510.18347	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
61.98835	100.0
69.03452	0.6
69.12656	3.2
69.42459	0.5
83.01344	0.5
89.02456	0.6
89.43761	0.5
93.03517	1.0
95.05061	1.1
97.02997	2.0
122.03831	0.9
132.44606	0.5
137.06082	7.1
163.07722	0.8
170.94962	0.5
217.12395	0.6
229.12358	0.8
253.08800	0.5
257.45761	0.5
259.13541	2.0
283.13483	0.6
293.11954	1.2
294.12701	0.6
311.13049	1.7
316.84628	0.5
351.16254	1.9
361.21860	0.8
369.17072	1.4
387.19498	0.7
405.20978	0.9
449.20023	1.7
467.20496	0.6
487.82101	0.6
510.25555	0.6
511.19672	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20869	0.4
61.98834	100.0
67.25580	0.4
72.84275	0.6
83.03359	0.4
98.22488	1.0
149.03311	0.4
198.68338	0.4
282.08368	0.5
316.82068	0.6
437.72647	0.5
510.21750	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58684	29.8
53.62615	32.3
67.19262	33.2
71.31873	59.8
75.15617	30.0
84.98506	35.6
156.72746	37.5
218.05116	34.3
240.26321	34.2
300.81137	31.7
406.83008	34.4
450.56894	40.5
467.28043	60.7
511.27139	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85115	22.4
53.72428	25.3
64.13677	21.0
67.66887	20.9
70.86588	55.8
84.02022	20.6
104.06132	22.6
105.22720	25.6
114.34840	22.9
126.26676	23.8
129.75896	25.0
147.69563	24.7
153.18320	22.5
164.04834	34.2
266.55847	23.6
266.92023	23.9
391.22736	100.0
409.23898	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39796	8.1
53.21381	8.6
56.09391	8.4
58.55956	8.1
61.98830	25.0
69.11190	60.5
69.11610	20.8
78.95921	88.0
98.97765	9.2
115.97236	9.0
140.00702	8.1
152.99602	100.0
196.89517	74.4
197.89560	40.0
229.15877	8.5
253.20627	8.4
256.32819	10.2
282.25235	30.9
409.23636	28.2
467.31375	42.6
510.29428	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56815	16.1
59.01374	27.4
69.17986	28.2
69.18382	100.0
127.74057	17.1
146.36499	20.0
147.94864	21.2
158.88153	15.1
205.13275	17.8
245.27759	17.1
442.62357	20.6
507.83188	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55231	0.5
53.77823	0.5
57.03431	0.8
59.01365	0.6
65.03958	0.5
67.01888	1.1
69.03454	0.9
69.30594	4.1
71.01386	1.5
73.02956	2.6
81.03471	1.2
83.05037	2.4
85.02960	1.9
88.14970	0.5
90.16183	0.5
92.87493	0.4
93.03464	16.5
105.74421	0.5
106.04217	0.9
107.05045	1.2
109.02969	3.1
111.04530	4.0
116.86102	0.5
119.05037	14.9
121.02921	0.6
123.04575	0.7
133.06570	1.3
137.02475	2.2
147.04495	1.2
147.84048	0.6
155.03505	1.7
157.06549	1.2
160.05153	0.6
161.06087	2.0
163.03999	8.1
171.08260	0.8
173.04575	13.8
173.06058	1.1
187.07657	1.6
189.09209	3.0
191.05623	13.7
191.07285	0.5
193.06517	1.3
195.08163	2.2
198.06914	0.7
211.07649	1.6
213.09244	3.7
215.07222	0.7
229.08688	1.0
293.10336	6.2
319.08115	4.4
337.09311	100.0
338.09592	6.4
452.83838	0.6
511.14581	13.0
512.15082	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20141	1.3
55.34460	1.3
57.03451	7.9
59.01393	2.7
61.98833	18.6
67.01902	3.1
68.99350	3.9
68.99762	10.9
69.03462	9.7
71.38211	1.2
72.63841	1.3
76.84231	1.6
81.03487	1.3
85.02958	2.2
93.03453	3.4
93.07136	1.7
95.05035	13.6
96.96952	1.6
97.02962	24.1
100.78451	1.3
107.05062	2.7
109.02961	3.6
109.06596	4.9
119.05027	2.6
119.08688	3.3
121.06595	3.1
122.03758	10.6
133.06575	1.9
135.04553	3.7
137.06099	100.0
138.06506	3.1
145.06599	2.4
146.03743	1.9
147.04565	3.3
147.08157	3.2
148.05345	3.7
149.06068	1.8
149.09714	1.4
157.06641	2.3
159.04494	4.6
161.06065	2.6
163.07637	8.8
171.07993	1.4
173.06093	3.1
173.09697	2.8
174.03163	1.5
175.07700	1.5
175.58139	1.4
185.06064	1.5
185.09755	2.4
187.11267	3.3
189.05534	2.0
197.06143	1.9
197.09653	1.9
200.08421	1.3
201.09244	1.8
207.08232	1.7
208.08736	1.6
209.06151	1.9
211.07674	3.4
213.09184	2.8
217.12328	5.8
217.23941	1.6
219.06703	2.0
221.06071	1.6
223.11296	2.3
225.05699	2.0
225.09232	4.9
227.07135	2.0
227.10753	3.0
229.12291	8.8
235.07625	4.8
239.10588	1.7
241.08836	1.5
241.12349	4.4
245.11826	1.5
249.09290	1.4
251.10748	4.7
253.08675	6.4
256.11008	2.4
257.11838	3.9
259.13364	24.0
260.13803	2.2
265.12396	4.2
267.10281	4.8
267.13785	2.0
268.11035	2.5
269.11917	3.7
279.06674	2.0
279.09961	2.4
283.13400	5.1
285.11249	3.8
292.11078	4.3
293.11865	18.4
294.12488	5.8
295.13245	2.5
295.16986	2.4
297.07925	2.3
307.17062	1.7
308.14221	1.6
311.12924	22.9
312.13736	7.3
312.96194	1.3
321.14890	2.9
323.16571	2.0
325.14661	2.0
351.16013	27.0
355.11911	2.3
356.12140	1.7
361.21924	7.8
363.19809	1.9
369.17017	17.6
387.19556	8.3
391.15179	1.7
395.15271	2.2
405.20850	10.9
413.16299	7.3
431.18649	10.1
449.19763	24.4
467.20807	3.5
493.18665	3.9
511.19626	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25245	0.5
56.91759	0.5
57.03450	0.8
59.01385	100.0
61.98843	3.3
63.87838	0.5
71.01398	2.0
71.27521	0.7
71.27947	0.7
73.02975	0.9
80.02280	0.5
82.61826	0.6
89.02463	1.2
101.02467	1.0
120.99675	1.0
121.02951	3.0
125.02445	3.6
128.31081	0.6
137.02528	1.0
151.04102	0.8
161.02480	0.7
166.06367	12.6
167.03586	0.8
181.08731	21.5
181.10234	1.3
182.09180	0.9
244.22398	0.7
319.17770	1.3
329.13943	1.1
511.24066	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46795	1.2
58.00594	1.6
59.01382	52.7
61.98838	4.7
69.06934	12.8
70.79142	1.4
71.01385	22.2
72.99328	3.1
73.02951	14.6
80.40642	1.4
80.96527	1.6
83.01394	1.9
85.02958	8.6
87.00889	3.9
87.04505	1.3
89.02452	18.5
95.61111	1.4
97.02940	3.0
101.02452	24.3
103.04017	15.9
113.02498	2.7
115.04048	2.1
118.03157	1.3
119.03504	8.3
125.02484	16.1
131.03497	3.3
143.03523	4.2
143.10789	100.0
144.11176	2.2
145.05109	4.1
149.04591	2.7
163.06120	21.0
191.05634	3.5
194.58580	1.6
205.07198	5.9
247.08278	5.2
307.10391	16.3
451.21976	4.8
511.18137	4.7
511.29089	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27687	0.5
57.03437	1.8
58.00605	0.6
59.01387	23.9
61.98827	0.8
69.03477	0.8
71.01033	1.0
71.01388	13.8
71.05022	1.6
71.30905	0.6
72.99309	2.1
73.02951	12.2
81.86581	0.5
83.01402	1.8
85.02955	5.5
86.00089	1.1
87.00877	6.6
87.04514	2.3
89.02460	4.3
95.01385	0.7
99.00902	0.9
99.08130	0.9
101.02458	11.8
103.03992	3.5
109.88023	0.6
113.02466	3.0
115.04032	5.0
119.03509	1.5
120.99670	0.8
125.02420	2.0
125.09773	0.6
127.11309	2.1
131.03519	6.6
134.76619	0.6
137.09708	0.8
143.03519	7.8
145.05034	1.4
155.10800	2.4
157.12352	13.1
161.04581	0.9
163.06128	2.6
166.06374	0.6
167.03542	0.6
169.12296	0.6
171.13928	1.1
180.55368	0.6
181.08618	0.9
185.11765	1.2
187.13432	1.2
191.05608	2.0
203.12898	38.5
204.13231	1.5
205.07210	6.4
245.13969	0.7
293.04730	0.7
319.17807	0.9
337.03690	0.9
435.48489	0.6
451.25604	1.8
456.37817	0.6
468.09006	0.7
511.24002	100.0
512.24438	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2552
Annotation	Curcumanggoside
Peak:m/z	Relative Intensity
51.10904	0.9
55.95069	0.9
59.01382	8.5
60.53337	0.9
69.21896	1.0
70.63113	2.2
71.01385	5.8
75.52187	0.9
78.95917	1.6
85.02968	1.6
89.02460	4.4
99.92572	0.9
101.02462	5.0
113.02473	3.0
119.03509	1.2
131.03510	2.0
160.29633	0.9
161.04552	1.3
192.75104	0.9
201.12888	1.9
209.11844	2.0
227.12846	1.1
229.15894	1.2
231.84775	1.4
269.19119	6.4
276.95181	1.0
287.20282	4.3
305.21259	3.9
331.19171	49.1
332.19479	4.0
349.20218	100.0
350.20712	8.6
361.80359	1.2
363.21719	2.6
379.21204	2.1
391.21262	21.6
392.21780	2.4
421.22443	7.1
451.23294	12.3
511.25610	9.1
512.26770	4.1
512.92493	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80855	1.6
57.03229	1.7
57.03451	23.2
59.01368	6.8
59.75453	1.6
66.40041	1.5
69.07401	19.0
70.39796	1.5
79.67366	1.7
81.03451	2.5
83.01398	2.6
83.05050	3.1
83.19706	2.1
87.00890	2.1
87.50831	1.7
95.05016	3.5
95.95864	1.8
97.06599	7.0
99.04536	37.9
107.05030	3.6
108.88612	1.9
111.08179	24.5
123.08201	7.1
125.02461	2.5
135.08179	14.8
137.02475	9.8
138.06868	5.4
139.07683	3.4
147.08153	4.4
163.11348	3.1
170.80272	1.9
175.11340	3.2
210.64609	1.8
241.71085	1.9
257.19196	4.0
269.19107	7.2
323.23758	3.9
341.24918	6.3
346.54028	2.0
347.24100	2.8
365.24887	10.5
367.22876	5.5
379.30069	9.0
381.28006	10.2
385.23984	7.6
387.26868	2.1
405.27945	20.8
406.28619	2.8
407.34363	1.9
409.23691	15.5
423.29260	13.0
425.27029	43.8
426.27359	3.6
439.28641	1.9
443.28046	3.3
449.26971	19.7
450.27264	2.6
453.22910	29.3
454.23135	3.1
467.28067	100.0
468.28491	12.8
469.26215	4.3
470.94409	1.7
483.34903	6.9
493.26355	2.0
498.63348	2.0
511.27081	57.7
511.34183	9.8
512.27454	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2703
Annotation	Ganoderic acid E
Peak:m/z	Relative Intensity
50.28719	1.0
55.73515	1.2
56.88167	1.0
57.03451	3.4
69.03449	1.1
69.06688	3.0
69.07097	5.4
71.01390	1.2
76.00032	1.1
83.05046	2.2
84.58771	0.9
85.02961	4.2
93.03483	2.6
93.43943	1.0
95.05030	38.4
96.05419	1.1
99.04533	6.6
99.24821	1.0
105.07113	14.0
107.05049	8.1
109.06582	2.9
110.03765	2.2
111.08126	1.8
121.06592	1.3
122.03752	5.2
123.07384	2.1
123.08186	23.6
135.08148	1.8
137.06096	94.3
138.06323	2.5
139.07664	2.7
151.07640	3.9
153.09236	2.9
167.07184	1.2
191.10802	1.3
257.19107	3.1
267.17401	2.7
269.19025	1.3
283.20667	1.3
285.18683	4.9
301.18130	3.3
311.20120	2.0
313.18170	1.9
329.21384	1.5
355.19662	1.2
373.20123	21.0
376.31079	1.4
405.28128	1.6
409.23792	1.4
439.28036	1.2
467.27637	2.2
469.78156	1.2
493.25967	2.9
511.27026	100.0
512.27393	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2705
Annotation	Physacoztolide E
Peak:m/z	Relative Intensity
57.03455	0.8
57.16129	0.9
57.91798	0.7
59.01377	3.3
59.40777	0.8
69.03458	0.8
70.35236	2.6
80.02691	1.4
81.03448	2.5
83.05032	6.5
84.02168	1.8
85.02972	1.0
86.91556	0.8
93.03474	2.3
95.05038	2.0
97.06570	1.4
109.06580	1.5
123.08188	1.4
123.59831	0.8
125.09702	3.5
133.06592	0.8
135.08147	3.3
139.07669	13.0
149.09717	2.0
163.11281	5.0
165.12799	3.0
171.10278	29.9
181.12344	0.9
185.11778	2.1
191.10849	1.9
202.99052	0.8
203.14377	1.3
204.10966	1.0
207.10277	1.0
209.11850	100.0
210.12131	3.9
221.11774	1.3
223.13402	1.6
227.12886	8.5
229.12300	1.5
231.13829	0.8
247.13351	10.1
265.14383	4.2
357.20767	1.1
375.21481	1.2
375.25681	1.7
378.32855	0.8
401.23209	2.2
431.96561	0.9
449.25677	2.3
467.27637	2.5
475.27014	2.9
493.27597	2.9
511.27051	34.7
512.27399	5.1
531.97687	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2708
Annotation	Ganoderic acid E
Peak:m/z	Relative Intensity
50.76028	0.5
55.01894	0.5
57.03431	0.6
59.01381	2.8
59.06550	0.5
60.07457	0.7
69.02574	2.9
69.02990	1.6
69.03442	1.6
71.01384	3.8
71.05038	0.6
73.02937	1.7
74.92849	0.4
82.76453	0.4
83.01385	0.7
83.05034	1.8
85.02974	1.4
86.75902	0.5
88.86098	0.5
89.02454	0.9
99.00879	1.1
99.04549	0.9
101.02454	3.3
102.70892	0.5
109.06609	0.7
113.02454	1.6
113.03547	0.6
125.02492	0.6
135.08200	0.8
139.07658	75.3
140.07991	1.8
147.08258	0.5
151.07660	1.9
161.04541	1.3
170.24986	0.5
189.12907	0.9
209.11716	0.9
217.15912	0.6
219.10274	1.1
231.13963	0.9
249.09267	0.5
309.18710	0.8
327.19708	0.5
371.18610	2.8
372.19571	0.6
379.21359	2.9
449.26535	0.6
467.28073	3.6
468.28403	0.6
485.67487	0.5
493.25900	1.0
511.26981	100.0
512.27307	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68457	1.1
56.42206	1.1
57.03432	2.6
58.36272	1.1
59.01374	3.1
69.03458	9.5
71.05000	1.5
71.31454	2.0
71.70580	1.2
75.83591	1.0
81.03451	2.4
83.05037	6.0
85.02963	2.2
93.07076	1.7
97.02943	7.9
98.21973	1.3
99.04525	8.9
107.08669	1.8
109.06601	2.3
109.10245	1.4
111.04475	1.2
111.08194	1.7
119.08701	2.6
121.06623	2.1
123.04517	2.0
125.09696	2.1
132.78191	1.1
133.06607	1.7
135.04530	1.9
135.08183	2.3
137.06090	3.4
137.09753	2.8
139.07651	20.0
147.08162	1.6
151.07629	2.6
151.11287	1.5
155.07118	2.1
161.09669	1.7
163.11313	3.6
171.11740	1.5
175.07626	1.6
187.11299	2.5
209.11775	1.9
217.12411	1.7
243.13890	1.9
294.86987	1.2
295.17209	2.0
309.18561	2.8
341.43484	1.1
371.18658	5.3
387.27066	4.4
405.28174	3.1
409.15005	1.5
431.25909	4.4
439.27579	1.8
449.27032	34.5
450.27402	2.8
453.22546	1.8
467.27878	14.9
493.25992	100.0
494.26471	10.2
511.26965	47.2
511.34973	2.3
512.27319	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52008	0.8
54.33289	0.6
57.03453	10.5
59.01382	1.3
69.03460	3.6
70.95056	1.2
70.95383	0.9
71.05040	1.3
73.02924	0.8
81.03461	0.9
83.05022	1.9
95.05035	44.5
95.85259	0.6
96.05315	0.8
97.02957	1.6
97.06559	1.0
99.04524	9.0
105.07110	30.6
106.07427	0.7
107.05044	6.0
109.02995	0.8
110.03754	3.4
119.08697	0.7
121.06596	2.5
123.08179	58.5
124.05330	0.8
124.08502	1.5
125.09715	1.4
132.44759	0.7
135.08191	5.5
137.06116	3.3
137.09743	2.1
138.06859	3.2
139.07686	4.7
151.07660	9.2
153.09238	9.1
159.08339	0.8
161.09683	0.9
163.11298	0.9
179.07103	1.0
189.09198	1.2
255.17531	1.3
257.19159	5.4
269.15875	0.8
269.19150	2.2
271.20761	0.9
283.17862	0.8
283.20776	2.4
285.18259	1.0
299.20224	2.4
301.18124	8.1
309.18716	0.8
313.18097	4.5
327.19708	0.7
343.19290	1.7
377.28510	1.4
405.28076	4.1
409.24008	4.3
421.27496	1.4
426.35110	0.7
431.25867	1.2
449.26968	3.2
465.26706	3.2
467.21490	1.3
467.27893	7.6
483.27487	1.6
493.25836	6.1
511.27051	100.0
512.27417	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18560	1.3
57.03461	1.4
69.03443	3.0
69.70951	7.7
76.06874	1.2
82.84628	1.6
87.33945	1.6
93.07078	2.7
95.05046	4.4
97.02975	3.0
98.22526	2.1
99.03342	1.4
99.04545	3.9
105.07110	2.8
123.08167	5.9
135.08156	2.0
138.06898	1.9
139.07623	4.5
161.13533	1.5
163.11375	1.4
167.07111	3.7
169.10376	1.5
173.09714	1.6
187.11302	3.4
208.50842	1.4
219.36748	1.4
245.73769	1.4
368.30252	1.5
369.25696	2.1
387.26965	8.4
388.27185	2.1
391.22644	2.1
405.28271	1.7
431.25922	4.9
447.70215	1.8
449.27026	100.0
450.27350	13.3
467.27942	15.0
490.04510	1.7
493.26175	10.1
494.26935	1.9
511.27011	43.9
512.27209	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.0
59.01384	10.3
61.98835	5.6
69.03447	2.0
71.01376	7.4
71.05038	1.4
72.47319	0.7
73.02936	1.6
76.10857	0.8
83.01389	1.1
83.05034	1.7
85.02932	2.5
87.00883	1.0
89.02458	9.1
93.03466	1.3
95.05034	1.4
97.02970	1.5
97.08982	0.7
99.00867	1.3
99.04523	2.2
101.02448	4.5
105.07111	1.0
109.06647	2.0
113.02455	2.3
119.03479	0.9
119.04944	0.9
119.08681	0.8
121.02972	2.2
121.06641	1.4
123.04527	1.7
123.08178	1.7
125.02477	5.3
125.09698	1.0
131.03505	2.4
135.04585	1.2
135.08167	1.9
137.06122	1.5
137.09702	1.0
139.07663	42.8
140.08038	1.7
149.04570	3.0
151.07664	2.6
157.12346	24.3
158.12701	1.1
162.06892	3.4
177.09196	3.7
178.99829	1.4
179.07156	0.9
179.10773	1.4
187.11488	0.8
191.05666	2.9
191.10849	1.2
209.11800	1.2
211.11375	0.8
219.10266	2.0
285.11459	1.2
291.17703	1.4
293.08813	3.0
313.10855	1.9
322.04663	1.0
349.20251	7.5
371.18594	3.7
467.29343	4.9
511.27051	100.0
512.27301	14.0
512.34113	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98585	0.1
55.01877	0.2
57.03454	0.8
57.08483	0.1
57.41525	0.1
57.49000	0.1
59.01093	0.1
59.01380	1.5
61.98835	1.5
65.03962	0.2
67.05512	0.1
69.03458	1.6
69.15571	0.6
69.15982	0.4
71.01385	0.7
71.05025	0.4
73.02949	0.3
75.34720	0.1
78.95917	0.3
79.05526	0.2
81.03465	1.1
83.01386	0.3
83.05037	2.9
84.02180	0.2
85.02955	0.7
87.00871	0.1
93.03479	1.0
93.07094	0.2
95.01418	0.2
95.05045	0.6
96.96959	0.2
97.02974	1.5
97.06586	0.4
98.03753	1.0
99.03931	0.2
99.04528	3.1
101.02395	0.1
104.24235	0.1
105.07123	0.2
107.05057	0.6
107.08699	0.6
109.02956	0.5
109.06609	0.8
109.10257	0.9
111.04535	1.3
111.08179	0.8
113.02460	0.2
119.04976	0.1
119.08672	0.7
120.05789	0.2
121.06600	0.6
122.03793	0.1
123.08176	0.6
125.02470	0.2
131.08713	0.2
133.06580	0.8
133.10255	0.3
135.04471	0.2
135.08174	1.6
137.02443	0.4
137.06088	0.6
137.09729	0.6
138.55724	0.1
139.07680	0.6
143.08647	0.3
145.10246	0.4
147.08189	0.6
147.11844	0.2
149.06105	0.2
149.09717	1.4
151.07657	1.5
151.11288	0.9
157.06564	0.2
157.10213	0.5
158.07394	0.2
159.08189	0.2
159.11806	0.5
161.06003	0.2
161.09712	0.5
161.13335	0.4
163.07628	0.2
163.11308	0.5
169.10234	0.4
171.08182	0.3
171.11771	0.3
173.09694	0.4
173.13373	1.2
174.10527	0.2
175.07648	0.1
175.11256	0.4
177.12846	0.2
183.08209	0.2
183.11790	0.1
184.09026	0.2
185.09729	0.3
185.13365	0.2
187.11305	1.1
187.14935	0.2
189.09259	0.2
189.12862	0.3
191.05592	0.2
191.10757	0.1
191.44041	0.1
195.11859	0.2
197.09769	0.3
197.13376	0.4
199.11295	1.2
199.14966	0.4
201.12854	0.5
203.14339	0.1
205.12341	0.3
209.11714	0.2
209.13521	0.3
211.11337	0.2
211.14908	0.2
213.12883	0.5
213.16502	0.2
215.14465	0.3
217.06659	1.0
217.12471	0.2
223.14908	0.3
225.12914	0.2
227.14479	0.5
229.12320	0.2
231.13905	0.2
231.17578	0.2
239.14381	0.3
241.12259	0.1
241.16002	0.2
243.13853	0.2
251.14438	0.1
253.16071	0.3
255.17575	0.3
263.14484	0.1
265.15955	0.2
267.17389	0.2
269.19052	0.4
279.17545	0.6
281.15524	0.2
281.19000	0.1
283.13437	0.4
291.21237	0.2
293.19357	0.2
295.17087	0.2
297.18610	1.3
297.22174	0.5
298.18668	0.1
303.20895	0.1
309.22195	1.5
310.22687	0.2
315.19577	0.3
319.20776	0.3
321.22186	0.2
327.23242	0.5
341.17688	0.3
343.24463	0.2
345.22382	0.2
349.20450	0.8
353.21237	0.2
359.18719	1.1
361.25198	0.3
369.25995	0.6
371.23868	0.2
375.26935	0.3
387.27054	1.4
388.27478	0.2
405.28171	1.2
406.28381	0.1
407.26053	0.2
431.25980	0.4
433.23621	0.2
449.27017	1.6
450.27591	0.2
467.28052	6.9
468.28406	0.7
475.25528	0.1
493.26346	0.9
511.27026	100.0
512.27368	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2746
Annotation	eurysterol B sulfonic acid
Peak:m/z	Relative Intensity
57.03445	4.8
59.01385	42.9
61.98824	3.5
69.03453	2.6
69.60896	10.0
71.01385	29.1
72.99290	3.3
73.02949	8.2
83.01376	5.4
83.05012	6.5
85.02953	15.5
85.08223	1.8
87.00906	2.8
89.02440	5.0
93.03461	3.5
93.59888	1.8
95.01382	2.2
97.02927	5.4
97.06572	2.7
98.22172	5.1
99.00906	4.1
99.04528	5.9
101.02448	19.2
107.05055	1.8
109.06578	3.3
111.04517	4.3
113.02460	11.3
121.06653	2.3
123.08138	3.7
125.02418	3.7
127.03973	3.0
129.05554	1.5
131.03508	15.5
137.06082	1.9
139.07678	37.9
149.69287	2.1
161.04559	10.0
162.06837	4.0
163.11334	2.1
169.10233	2.7
170.69112	2.1
171.10265	7.0
173.04503	2.5
177.09221	5.1
179.10707	2.2
191.05623	20.1
192.05928	2.4
209.11819	17.5
227.14558	2.3
251.14339	3.4
319.21304	38.4
339.33246	1.7
371.18738	10.8
379.21405	3.7
389.29422	1.8
449.25104	1.9
451.25446	6.1
467.27936	8.6
467.33899	4.9
471.90948	2.2
493.26413	5.5
511.26971	100.0
511.34061	5.3
512.27460	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22262	5.0
59.01384	85.3
61.98833	6.5
69.65882	24.5
71.01398	36.4
73.02951	11.7
73.67676	4.4
85.02959	11.7
87.75411	5.2
89.02441	35.9
93.75800	4.3
98.21899	6.3
101.02445	22.6
113.02444	17.4
119.03511	16.5
143.03503	5.1
161.04561	8.3
161.51917	4.2
170.25479	4.3
179.05603	8.8
187.50908	5.2
202.02782	4.8
207.17249	4.4
278.23642	4.8
278.31857	4.3
279.52435	4.7
289.20267	12.5
319.17667	15.7
327.37659	4.4
406.17700	4.5
421.29666	4.2
441.19284	4.8
441.56219	4.7
451.20044	5.7
451.25674	100.0
511.14615	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14148	0.9
57.03447	1.7
59.01374	3.5
68.00744	0.9
69.02628	1.6
69.03033	8.9
69.03455	1.7
69.88877	0.8
75.29269	0.7
80.02666	1.4
81.03481	2.0
83.05019	8.5
84.02151	1.6
93.03474	1.5
95.05040	2.2
96.75584	0.8
97.02962	1.9
97.06613	1.3
98.22485	1.6
99.04517	2.2
106.28233	0.9
109.06628	2.6
110.87202	0.8
111.04519	2.0
111.08170	1.0
115.28594	0.9
119.08714	1.0
121.06544	1.1
123.08170	1.5
125.09719	3.1
132.97392	0.9
133.06664	1.0
133.10188	1.1
135.08159	3.8
139.07661	24.7
145.06729	1.0
147.08125	1.8
149.09715	2.6
151.07649	1.3
151.11342	1.0
161.09827	0.9
163.11327	4.6
165.12848	1.9
171.10281	33.8
172.10593	1.0
173.09753	1.3
173.13373	1.3
175.11166	1.3
185.11894	2.0
187.24658	0.9
194.09265	1.0
209.11841	100.0
210.12196	4.4
221.11832	1.5
223.13445	2.2
227.12874	8.1
231.13927	1.0
247.13422	10.0
265.14481	3.1
357.20691	1.4
375.21732	2.1
383.22372	1.0
401.23599	1.7
405.28171	1.2
419.24506	1.1
431.25256	1.6
433.62372	0.9
437.25580	1.1
449.25964	4.5
467.28241	4.6
475.26935	3.2
493.26956	3.8
511.27066	74.4
512.27405	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3435
Annotation	Acetyl-11-keto-B-Boswellic Acid, 3-
Peak:m/z	Relative Intensity
59.01384	35.2
68.12730	0.5
70.64915	1.0
76.02808	0.5
99.43766	0.5
110.97411	0.5
152.99646	0.5
188.93869	0.5
243.75920	0.5
283.26334	1.5
359.10880	0.5
402.65225	0.5
418.41055	0.6
447.54074	0.6
469.33173	3.7
509.76996	0.6
511.34323	100.0
512.34637	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3428
Annotation	CHEBI:69628
Peak:m/z	Relative Intensity
59.01096	1.4
59.01382	27.1
59.12931	0.9
70.93975	2.6
72.07244	1.0
87.12486	1.2
88.25040	1.0
97.06609	1.4
98.67390	1.0
99.04530	15.8
113.67712	1.1
117.40812	1.1
138.14543	1.0
350.42059	1.1
367.30301	2.1
391.29642	1.2
451.32193	100.0
452.32623	11.0
511.34326	89.3
512.34760	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86368	0.7
59.01384	25.2
61.15950	0.6
83.05037	0.8
99.04529	16.7
156.57079	0.8
168.91808	0.7
187.20987	0.8
298.48090	0.8
317.04306	0.9
367.30087	2.9
382.87732	0.8
407.81082	0.7
451.32190	89.6
452.32526	8.8
511.34332	100.0
512.34686	11.9
530.89093	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3432
Annotation	Acetyl-11-keto-B-Boswellic Acid, 3-
Peak:m/z	Relative Intensity
54.40281	1.5
59.01383	65.9
59.50798	1.5
66.00510	1.4
71.30804	1.8
97.07532	1.3
179.69707	1.4
189.51416	1.6
193.58983	1.7
396.23160	1.5
423.88089	1.6
451.32269	2.1
469.33221	16.9
470.33313	2.4
511.34363	100.0
512.34540	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.3
59.01384	3.7
61.98834	100.0
71.01391	3.4
71.31413	1.7
73.02955	1.3
85.02975	1.7
85.64504	1.3
87.00886	1.5
96.96014	1.6
101.02437	2.8
109.02950	2.3
113.02438	1.5
125.02464	5.2
133.02957	14.7
135.04549	24.4
139.07664	4.0
150.03249	1.6
161.02452	57.8
162.02786	1.8
177.05624	2.3
179.03519	18.4
203.03522	1.6
221.04507	1.8
257.38235	1.4
287.09259	3.7
290.75015	1.2
309.21182	1.3
323.07666	14.6
449.10928	56.4
450.11337	5.7
511.26532	2.0
512.27545	1.2
513.26703	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44091	0.8
54.85480	1.0
56.25552	0.9
59.01373	1.7
61.98835	100.0
63.99252	2.7
71.01369	2.3
71.32336	1.3
74.59261	0.8
82.32951	0.9
82.95432	1.6
88.00951	0.9
89.02431	1.0
91.59129	0.8
94.14295	0.8
101.02472	2.0
113.02425	1.4
125.02468	3.3
133.02956	4.8
135.04526	6.5
160.69958	0.9
161.02452	15.8
177.36011	1.0
179.03497	4.5
191.05611	2.2
209.55527	0.8
289.07135	1.6
323.07770	5.1
324.08023	1.1
449.10922	17.9
450.11185	2.3
472.57355	1.1
512.19440	1.3
513.26880	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	15.1
61.98837	100.0
79.36702	2.8
80.57571	2.9
96.35030	2.8
98.21754	9.1
99.04510	8.3
157.72969	3.3
201.72336	3.0
218.95540	2.9
228.15758	3.1
229.11026	3.7
247.72638	2.8
257.01181	3.1
367.30377	4.0
410.18774	3.4
437.95950	3.8
453.33890	38.3
481.37897	3.7
513.35883	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83506	18.3
52.38254	21.1
59.01375	100.0
71.31618	43.5
96.67373	19.7
157.50493	21.3
158.64688	20.9
180.23831	24.0
226.22205	23.2
275.72543	23.1
512.37006	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65885	11.9
59.85055	9.2
68.99802	45.9
69.01660	100.0
78.93450	10.1
87.00889	59.0
91.04847	9.4
99.04545	29.1
99.06934	10.4
133.05785	10.6
138.06870	10.3
167.24834	9.9
168.40123	10.4
176.98117	12.1
181.80537	10.5
216.17735	11.7
312.97702	10.0
340.51715	9.7
341.72937	12.4
385.23810	19.6
468.28101	25.5
469.29422	17.5
512.27484	65.2
513.28723	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72000	9.0
57.03471	8.1
59.01392	11.3
61.98835	16.9
83.05009	11.2
93.03491	9.1
98.22536	23.8
99.04533	11.6
103.12473	11.3
123.08150	14.4
126.18147	10.5
139.07722	12.8
192.01021	8.9
269.95004	9.5
272.00909	9.1
396.07874	11.3
440.84406	9.3
468.28241	33.9
512.27484	100.0
513.28589	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35938	10.1
54.32607	9.5
59.01375	33.6
69.03461	12.3
69.04504	15.7
69.04891	100.0
75.45898	10.2
80.52766	9.9
85.85506	10.9
99.04534	27.6
99.46999	12.4
123.08148	11.6
167.07170	21.9
193.83693	12.4
241.03284	10.7
290.01947	10.6
336.32440	11.8
389.59009	12.6
417.39459	11.3
451.28745	26.6
468.28119	14.7
469.29535	56.2
512.27374	82.6
513.28845	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
126.61250	92.9
209.66072	93.7
352.85437	90.9
364.24606	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	43.1
63.79050	15.7
78.95935	43.7
85.02978	23.5
99.04525	32.0
119.05967	17.5
149.21640	14.2
152.99580	25.6
155.57310	15.6
190.38322	16.1
191.05640	100.0
194.69388	14.0
201.91345	17.8
513.32025	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12320	4.6
59.01393	13.4
63.93668	4.9
68.60974	4.8
68.99828	5.0
69.03661	41.6
87.00912	10.4
89.02444	6.2
97.02962	8.9
99.04531	29.6
112.54784	4.9
121.06551	5.1
123.08205	7.1
168.07477	8.7
174.50816	5.1
236.86591	5.1
381.10251	6.8
398.10205	8.0
407.29407	6.1
411.25320	6.6
413.12366	21.8
451.28470	13.0
455.23401	6.5
469.29358	35.3
495.27292	7.2
513.28406	100.0
514.28711	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2111
Annotation	Gomisin E
Peak:m/z	Relative Intensity
52.16771	8.2
59.01378	13.6
60.11736	7.4
61.98827	100.0
69.23965	55.9
71.01372	6.7
73.41910	7.2
76.13480	7.0
80.20913	7.3
98.21790	17.9
101.02439	13.8
109.02934	10.2
111.79662	6.7
112.71368	7.4
112.92264	7.3
113.42474	7.9
121.03035	7.4
125.02432	18.9
144.78529	8.5
149.02419	8.9
150.03259	11.3
165.05548	8.0
201.36241	7.3
203.47404	7.2
289.07050	8.2
501.20270	8.1
513.21265	48.1
514.21594	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62648	17.7
57.03426	22.1
57.78519	18.7
58.39334	17.5
73.82829	17.1
83.05026	22.4
87.81001	17.4
87.82655	17.7
88.53244	17.0
99.04482	16.6
141.09172	28.3
201.71523	17.6
469.28467	27.0
488.88312	20.8
513.32794	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.7
57.28381	1.2
68.99822	100.0
69.11800	7.7
69.12210	3.0
69.42737	1.4
71.05002	1.3
87.00884	64.1
97.06591	2.7
99.04531	12.4
109.02982	3.1
111.08196	2.0
123.08131	2.0
125.48154	1.5
131.68300	1.2
138.06912	1.7
141.09178	2.6
142.79761	1.2
191.45137	1.4
271.20599	1.7
341.24835	15.3
367.22922	3.5
385.23874	45.6
386.24118	3.2
411.21997	2.2
425.26935	10.9
443.28070	19.7
444.28116	1.5
455.24258	6.3
469.29993	1.8
513.28265	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00793	1.3
59.01388	8.5
59.81810	1.3
61.41463	1.4
61.46548	1.6
61.98822	1.9
62.34983	1.6
69.03456	5.6
69.96175	2.5
69.96522	6.6
71.01395	12.6
72.57681	1.3
73.02948	29.7
83.05038	3.2
84.07440	1.2
85.02964	5.7
87.61792	1.3
89.02454	6.6
97.02931	9.8
99.00895	2.8
101.02441	10.1
104.19874	1.6
113.02471	5.8
118.61958	1.6
129.05595	27.2
131.03510	4.0
137.06140	2.0
139.07652	2.9
149.04567	3.9
161.04565	4.6
187.11444	1.9
205.12456	1.9
243.85603	1.4
321.22397	2.4
347.32214	1.8
367.26248	2.4
375.23450	2.7
381.22830	8.5
393.24216	2.0
411.25534	3.2
451.28644	2.4
469.29718	21.2
470.29858	1.9
495.27435	3.7
513.28491	100.0
514.21881	1.8
514.28607	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.286
Annotation	Ganoderic acid C
Peak:m/z	Relative Intensity
54.32967	0.9
59.01383	76.2
60.20545	0.9
60.99304	0.9
66.51417	0.7
69.03454	3.4
70.35733	2.9
71.01379	2.4
71.05002	0.9
72.99289	1.2
73.02940	1.7
81.03438	0.9
83.05021	1.0
85.02971	0.9
89.02446	1.6
97.02959	7.6
97.68237	0.9
99.04519	3.7
101.02449	2.1
107.40870	0.8
113.02473	1.1
123.08207	1.7
124.62241	0.7
138.06868	2.7
139.07655	6.8
150.52655	0.8
153.05679	0.9
161.04568	0.8
199.84607	0.7
210.12215	0.8
219.00339	0.9
229.15973	1.1
295.20682	1.3
323.23886	1.0
331.24231	1.3
338.81845	0.8
349.25504	0.9
353.67163	0.7
367.22937	1.5
375.23401	3.2
393.24634	2.1
409.23581	0.9
411.25540	0.9
451.28656	2.6
453.26456	10.3
454.26862	1.2
469.29703	12.4
470.30115	1.2
495.27133	1.8
513.28619	100.0
514.29041	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2873
Annotation	Ganoderic acid C
Peak:m/z	Relative Intensity
59.01388	100.0
61.34861	1.9
63.61410	2.0
69.03460	3.9
70.96397	4.8
71.01394	7.5
71.04993	2.2
75.20340	1.9
81.03470	7.3
89.02460	25.1
97.02940	14.6
99.04516	10.5
99.53069	2.0
138.06898	12.6
139.07648	6.3
277.19617	2.3
278.93314	2.2
333.22165	13.4
351.23196	3.1
375.23428	9.2
377.21252	41.5
378.21729	3.3
393.24472	8.1
395.22263	24.7
395.68591	2.2
396.22806	2.9
411.25513	5.9
437.23349	6.9
455.24426	96.7
456.24762	8.9
469.29922	12.1
495.27197	4.4
513.28674	71.1
514.28918	9.0
521.33478	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2861
Annotation	fijianolide A
Peak:m/z	Relative Intensity
59.01388	2.6
83.05010	0.8
91.04071	0.9
107.33327	0.6
117.03479	21.0
119.05042	50.8
120.05405	1.0
121.02968	1.6
122.80997	0.7
132.05846	2.4
145.02974	100.0
146.03304	2.7
152.99599	1.8
162.03229	0.8
163.04042	26.3
164.04405	0.8
200.33737	0.6
216.08337	0.7
237.07742	1.2
263.20169	0.9
275.20126	1.9
275.67441	0.6
277.21747	3.9
293.21213	2.4
353.24713	3.0
390.19183	0.6
421.23886	25.3
422.24213	2.4
439.24908	18.8
439.47549	0.8
440.25345	1.6
513.28424	42.6
514.28619	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.3
59.52563	0.5
61.12331	0.5
68.12090	0.7
69.68649	2.8
71.01414	1.0
78.95918	0.7
89.02509	0.6
91.04031	1.2
98.22515	0.8
99.69756	0.6
117.03480	21.9
118.03760	0.6
119.05038	49.8
120.05423	0.8
121.02992	3.4
132.05855	2.3
145.02968	100.0
146.03256	2.8
152.99591	0.6
162.03256	0.7
163.04024	29.7
164.04433	0.9
237.07600	1.5
274.19458	0.7
275.20090	1.8
277.21786	2.7
293.21094	2.6
296.16901	0.7
335.23532	0.9
353.24860	3.0
421.23822	24.5
422.23853	2.3
439.24918	18.3
440.24820	1.6
477.25912	1.0
511.28662	0.6
513.28168	30.6
514.28497	3.7
536.52643	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.2
59.98509	0.6
61.98812	0.8
69.70772	1.6
70.99876	0.5
75.99577	0.6
91.24178	0.4
92.79186	0.6
95.05025	0.6
97.03013	0.6
97.06571	0.7
99.04530	1.1
101.19424	0.5
109.06618	0.6
111.04512	0.8
111.08170	3.4
112.08650	0.5
119.08691	0.6
121.06586	0.7
123.08176	0.8
125.06028	0.5
125.09730	1.1
137.09738	5.4
138.06866	5.9
139.07668	2.3
141.87265	0.5
169.08685	1.1
177.02679	0.5
189.13045	0.5
283.20758	0.7
290.06799	0.6
299.20261	1.4
331.24432	0.7
347.27521	1.5
349.25293	1.1
365.28107	0.7
371.27423	0.8
375.23230	3.2
389.28632	1.5
407.29575	1.4
411.25241	0.6
433.27621	0.7
451.28690	2.4
469.29626	25.3
470.30206	2.7
495.27536	1.7
513.28595	100.0
514.21411	0.4
514.28925	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74445	1.6
59.01377	15.6
69.02225	18.1
71.01387	7.1
71.05021	2.2
73.02930	1.6
76.08894	1.9
83.05019	1.9
85.02958	2.5
89.02456	4.6
89.18211	1.8
97.02950	2.6
99.04512	2.2
101.02451	4.8
106.31639	1.9
113.02448	3.8
119.03536	2.0
124.91853	1.5
137.06123	1.7
139.07666	100.0
140.08006	2.3
143.63133	1.7
160.73752	1.8
161.04617	2.7
211.41278	1.7
221.56848	1.5
234.86533	1.6
297.18643	2.0
298.91611	1.7
309.30975	1.6
359.18674	5.5
381.22803	4.1
393.24408	4.6
416.19446	1.8
442.44049	1.8
451.28702	5.3
469.29608	71.6
470.29865	10.2
513.28607	27.2
514.29004	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2861
Annotation	fijianolide A
Peak:m/z	Relative Intensity
57.03445	13.4
59.01379	5.1
59.98515	3.7
70.65119	6.0
70.65516	6.9
71.78320	3.5
72.02076	2.8
78.06237	3.3
83.05022	2.8
87.00866	3.9
99.04493	5.7
111.04562	6.0
137.09740	12.6
138.06862	14.5
139.07642	4.0
164.66934	3.4
183.58723	2.9
187.21638	2.9
263.76550	3.0
269.19199	5.4
277.21567	4.6
286.76190	3.3
313.18127	9.5
349.25354	4.1
377.24924	3.5
415.14639	3.7
433.27463	6.5
435.29153	51.4
436.29465	5.2
451.28540	4.9
477.79321	3.3
479.21365	6.6
479.28043	88.8
480.28375	7.3
495.27649	5.7
513.28412	100.0
514.29077	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.4
57.03472	0.3
58.00622	0.3
59.01384	7.3
69.03464	0.1
69.86723	0.4
71.01389	5.4
72.99321	0.2
73.02953	1.2
75.00929	0.1
78.95927	0.1
83.01379	0.5
83.05060	0.2
85.02956	1.6
87.00878	0.6
89.02454	4.4
91.04055	0.2
95.01423	0.4
97.02971	0.1
98.22474	0.2
99.00935	0.3
99.04562	0.3
101.02454	5.5
102.02884	0.1
103.04045	0.1
113.02464	2.7
115.04111	0.1
119.03524	1.3
125.02509	0.3
127.07697	0.3
131.03551	0.2
131.16341	0.1
133.05113	0.4
143.03519	0.4
149.04645	0.2
152.99619	0.3
157.05078	0.2
161.04579	1.7
179.05614	0.6
191.10762	0.1
233.15314	0.1
233.22803	0.3
235.08257	0.9
253.09314	15.5
254.09714	0.5
259.20618	0.4
275.20178	0.4
277.21738	100.0
278.22073	6.2
292.47333	0.1
355.71130	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15143	0.2
55.01872	0.7
58.00583	0.2
59.01097	0.4
59.01383	7.8
69.10390	1.1
69.10803	0.4
71.01386	5.1
72.99274	0.2
73.02954	1.2
83.01373	0.6
83.05013	0.2
85.02956	1.4
87.00874	0.7
89.02457	4.0
91.04023	0.2
95.01392	0.4
99.00905	0.4
101.02453	5.3
113.02454	2.6
119.03511	1.1
125.02458	0.2
127.07658	0.3
133.05072	0.3
143.03500	0.6
152.99628	0.2
161.04585	1.7
179.05597	0.5
233.22836	0.4
235.08269	0.9
253.09311	15.2
254.09607	0.7
259.20679	0.2
275.20020	0.4
277.21738	100.0
278.22083	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3221
Annotation	(+)-Methyl ganolucidate A
Peak:m/z	Relative Intensity
56.47278	0.7
56.91017	0.7
59.01379	1.7
71.05006	0.8
71.30804	1.5
83.05042	1.0
86.77068	0.7
87.00896	1.0
99.00850	0.8
99.04534	6.2
111.08183	1.1
276.65686	0.9
333.14813	0.9
379.26593	1.3
386.89316	0.8
425.26816	0.9
437.30679	1.4
441.87952	1.2
469.34161	1.5
479.62094	0.8
481.29980	3.6
513.32355	100.0
514.32703	12.0
528.90973	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.359
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
69.03477	4.6
71.01389	12.0
71.05010	1.0
71.30176	1.3
79.32003	0.9
96.83914	0.9
103.61666	0.8
105.60819	0.8
124.14881	0.8
145.92192	1.0
260.78827	0.9
283.14166	0.8
377.28543	1.2
399.16254	1.0
409.31281	1.6
419.33243	9.2
437.34259	1.9
441.33728	2.2
451.36127	1.0
513.35901	100.0
514.36334	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3588
Annotation	3beta-Acetoxy-18alpha-hydroperoxy-12-oleanen-11-one
Peak:m/z	Relative Intensity
53.78947	0.7
59.01204	11.8
59.01545	13.8
63.68995	0.7
90.28411	0.8
97.06407	1.1
99.04288	11.9
99.05015	3.3
109.10867	0.6
120.48819	0.7
217.17526	0.7
328.81299	0.6
329.56659	0.6
332.30801	0.7
339.26843	2.1
359.32944	0.7
367.29965	7.6
368.30807	0.8
437.30774	0.9
453.33762	93.3
454.34070	9.2
471.35062	0.9
513.35974	100.0
514.36389	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3589
Annotation	3beta-Acetoxy-18alpha-hydroperoxy-12-oleanen-11-one
Peak:m/z	Relative Intensity
58.67138	0.7
59.01387	23.6
61.98825	1.3
69.12811	2.6
69.13241	3.1
72.21659	0.8
78.95930	1.5
97.06537	0.8
98.22526	2.2
99.04524	14.1
137.66003	0.7
142.91522	0.8
152.99492	0.9
191.05664	3.2
195.44360	1.0
277.21790	8.3
288.42661	0.8
297.51199	0.9
365.28452	2.2
367.29962	7.7
432.20520	0.9
453.33780	81.3
454.34079	8.6
471.34915	1.2
513.35968	100.0
514.36279	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75684	3.1
54.13300	3.3
61.98831	95.0
69.30627	15.3
69.31047	6.9
69.64113	3.6
69.77439	3.2
90.38905	4.2
92.46332	4.0
94.83659	3.6
109.02969	28.6
116.54765	4.0
121.71258	3.3
123.04546	10.4
135.17317	3.4
147.04453	4.1
151.04007	8.8
157.21678	4.0
161.02477	6.9
176.01288	3.4
177.01932	31.5
189.01926	42.2
190.02670	10.9
191.03355	5.8
216.00592	7.7
217.01399	26.4
219.02965	8.6
231.02962	8.7
281.04572	6.4
289.07266	6.4
299.05502	14.6
341.06653	100.0
342.06992	9.6
359.05832	3.8
451.10281	64.2
452.10410	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
67.67941	0.4
69.49054	2.5
85.34309	0.4
85.86349	0.4
125.02482	0.8
145.27867	0.5
148.85918	0.4
154.24532	0.5
159.22437	0.4
161.02414	0.6
245.08121	1.1
282.42230	0.5
289.07214	7.9
289.10208	0.7
290.07654	0.6
299.07935	0.7
451.12561	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00608	5.4
59.01385	100.0
61.98826	19.2
71.01385	55.6
73.02966	25.5
83.01398	4.8
85.02969	16.7
86.69349	4.5
89.02459	37.1
97.03015	7.4
101.02438	43.9
103.04023	37.8
119.03521	22.8
125.02457	39.6
127.04011	4.8
129.00075	4.3
148.05310	40.7
150.65773	4.3
163.06158	29.5
163.07693	11.6
210.67909	4.5
246.45169	4.3
247.08255	11.4
307.10373	22.9
426.08398	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34578	6.0
59.01385	100.0
61.98831	61.4
69.03443	7.8
71.01385	50.7
71.28396	9.3
71.28831	6.8
73.02937	25.4
74.02447	8.3
74.46998	6.6
85.02945	18.3
89.02450	35.8
93.03449	7.0
95.01349	5.9
95.24487	6.4
97.02973	20.7
100.42653	6.1
101.02467	37.4
103.04043	38.2
109.02956	11.9
117.03516	8.4
119.03510	11.3
119.05073	13.9
125.02452	65.7
127.04019	9.5
127.22085	7.1
137.02446	18.5
145.02928	47.9
145.06107	8.2
148.05318	81.3
157.06487	7.0
163.04004	9.2
163.06151	26.0
163.07661	40.2
167.44966	7.5
169.01411	25.1
238.28400	6.6
247.08163	9.9
289.06973	7.1
307.10330	22.3
312.10004	9.1
327.12274	15.6
328.12845	11.6
433.11432	13.0
463.05368	7.0
463.12210	7.3
508.97983	7.7
514.23511	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29266	0.2
57.87609	0.3
59.01396	0.6
60.80727	0.3
61.98835	100.0
71.01404	0.4
71.31552	0.4
77.31632	0.3
93.03488	0.4
96.15296	0.2
96.97021	0.5
109.02992	0.4
123.04602	0.4
125.02478	0.6
135.04597	0.5
145.02962	0.3
149.02582	0.3
149.06268	0.3
150.03276	1.0
150.60536	0.2
151.04051	0.9
165.05600	0.8
173.04611	0.8
177.01971	0.3
179.32790	0.3
195.06703	0.5
203.10555	0.3
227.20337	0.2
241.05121	0.4
256.07620	0.4
271.09924	0.9
341.06754	0.5
360.75677	0.3
371.43890	0.3
514.23090	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68761	8.4
57.03410	11.5
59.01374	12.1
66.17788	9.1
71.31586	14.3
71.31942	9.5
76.31736	8.6
78.95901	16.1
87.00882	26.7
106.92129	7.4
141.09253	8.6
152.99583	33.2
182.79053	7.8
194.34619	7.8
247.87053	8.7
300.83572	8.2
341.24911	44.5
397.40994	8.6
412.59396	8.3
427.28598	29.5
443.04822	7.9
471.27557	100.0
514.32910	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09151	0.2
59.01362	0.2
61.98833	100.0
69.18877	0.8
69.19311	1.1
96.46651	0.2
101.64203	0.2
120.69411	0.2
143.05061	0.2
179.47501	0.2
198.45158	0.2
248.91623	0.2
251.07358	0.3
253.08954	0.5
304.28333	0.2
323.05551	0.3
383.82578	0.3
454.34061	0.4
484.08063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77168	16.1
59.01385	16.1
69.06396	100.0
69.06818	57.3
79.06708	18.8
85.93926	16.9
86.93041	13.9
87.00895	24.5
98.21705	32.3
101.06104	69.8
112.71694	14.6
201.42775	14.6
225.53328	16.5
351.20822	18.8
400.08209	14.2
497.57355	16.8
514.28680	31.3
515.30035	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.9
59.01369	2.5
60.99308	1.4
61.98833	10.1
67.01895	5.5
69.00920	9.2
69.01277	1.3
69.03450	1.7
71.01384	2.5
73.02930	0.8
80.60458	0.9
81.03462	1.2
83.05044	1.9
85.02963	9.3
87.00876	10.5
89.02452	1.1
93.03468	37.0
98.21801	1.4
109.02962	35.6
109.03715	1.8
111.04520	5.2
122.03744	2.1
127.04016	2.4
129.01982	1.1
131.42398	0.9
134.03709	2.9
135.04539	11.0
136.01668	3.1
145.02972	14.1
146.03685	1.3
149.02477	1.9
149.06062	1.3
150.03244	12.5
151.04034	5.0
155.03491	2.7
159.04518	5.2
161.02481	5.3
161.06091	10.2
165.05589	14.1
173.04536	16.4
177.01738	0.9
179.03491	7.8
180.04102	1.2
186.03192	1.4
187.02489	1.3
187.04028	14.9
191.05623	81.3
192.06006	2.2
195.06636	6.2
211.04128	1.0
213.01982	3.8
213.05502	2.0
214.02640	3.6
225.05672	1.3
225.30479	1.0
237.05586	1.4
238.06195	0.9
239.03517	3.8
240.04305	1.7
241.05064	6.3
251.07207	1.3
253.05069	3.2
253.08719	18.9
255.06546	4.1
256.07434	3.7
261.66245	1.0
271.09811	9.0
279.03046	5.4
279.06003	0.9
280.03766	1.7
281.04553	14.8
282.04944	1.5
285.07654	0.9
293.35876	0.9
297.07733	7.9
299.09244	3.3
323.05646	16.9
324.06189	1.2
341.06689	16.7
342.06876	1.9
515.11945	100.0
516.12268	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.1
59.01384	3.3
61.69275	0.8
61.98835	27.4
67.01888	1.6
69.36220	0.9
71.01376	1.3
71.18792	0.9
74.07545	0.8
77.92133	0.9
78.95918	1.6
81.03476	1.0
85.02969	9.4
85.69379	0.8
87.00885	3.0
91.05341	0.8
93.03469	8.9
101.02410	1.0
109.02982	3.7
111.04524	3.0
121.02972	1.6
123.37313	0.9
125.06084	4.7
127.04063	2.1
131.05118	1.0
143.05016	3.5
145.02980	3.9
146.03729	2.0
147.04549	4.4
159.04459	1.1
173.04610	3.6
183.08644	1.5
183.10280	26.6
185.11867	2.2
191.05629	64.5
192.06082	2.6
222.06961	1.0
223.07648	2.7
229.01398	4.0
233.06094	4.5
234.06917	1.8
235.07645	1.6
237.05605	5.3
249.05603	1.4
250.06371	3.9
251.07155	46.2
252.07458	2.2
253.08711	13.4
254.09097	1.1
261.05502	6.2
262.06274	1.4
269.08264	1.3
277.05298	1.3
278.05869	4.2
279.06641	26.7
280.07126	1.3
295.06085	1.3
297.07761	2.5
323.05627	100.0
324.05939	6.1
341.06735	1.3
420.80688	1.1
441.95444	0.9
515.11499	15.9
515.18597	1.4
516.11926	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06708	0.8
57.38465	0.7
59.01383	1.5
67.96738	0.7
70.56316	1.3
70.56654	1.5
71.01375	1.3
73.83818	0.7
77.95990	0.6
81.88971	0.6
85.02959	5.6
87.00878	0.8
88.83734	0.6
93.03463	4.3
96.96032	1.0
96.96980	0.8
111.04543	2.2
121.16457	0.7
121.88100	0.7
127.04060	1.2
131.07074	0.6
133.03021	1.6
134.03772	2.6
135.04538	94.5
136.04872	3.0
139.38126	0.7
155.03494	2.4
161.02463	10.7
173.04552	5.4
179.03510	100.0
180.03860	3.2
191.05629	33.5
192.06052	0.8
216.95448	0.7
233.32237	0.8
275.05695	1.4
323.07788	3.9
335.07764	2.6
341.08835	32.5
342.09036	2.5
353.08551	6.6
515.14075	51.7
516.14343	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.3
60.99297	0.6
61.98827	2.8
67.01887	0.9
69.12348	4.6
71.01388	1.6
81.03489	0.6
85.02957	9.7
87.00885	2.6
89.02457	0.7
93.03476	8.4
96.96021	0.6
99.04556	0.8
109.02943	1.4
109.74950	0.6
111.04525	2.6
117.03445	1.3
119.03412	0.6
123.04486	0.9
127.04019	2.3
132.02171	1.7
133.02950	6.3
135.04562	6.3
136.07632	0.7
137.02448	0.9
137.06114	1.7
138.05574	1.4
145.02969	0.9
145.59882	0.6
146.01410	0.6
150.05586	0.8
155.03488	0.9
160.01677	2.2
161.02460	44.7
162.02817	1.7
173.04593	4.4
179.03482	4.5
191.05632	100.0
192.05951	3.1
219.40149	0.6
253.08702	0.7
281.04733	0.6
323.07776	42.1
324.08090	2.2
341.06693	0.8
341.08594	0.6
353.08981	2.5
515.13708	17.5
516.14557	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
56.24549	0.6
57.03442	1.8
57.85828	0.7
58.00590	1.0
59.01094	1.5
59.01382	24.3
61.21692	0.7
61.64552	0.6
65.03951	1.1
69.03458	1.4
71.01388	19.5
71.04999	1.2
72.99296	0.9
73.02950	24.7
74.97172	0.7
77.42533	0.7
78.88253	0.7
81.03455	2.3
83.01382	1.2
83.05038	7.7
85.02959	6.4
87.00875	1.5
89.02455	24.5
93.03463	63.1
94.03796	1.2
98.22557	1.4
99.00901	7.5
99.04525	8.0
101.02450	12.4
111.04530	24.4
113.02457	7.3
119.03506	8.6
125.02438	1.0
129.01962	3.2
131.03519	1.8
131.08281	6.4
137.02457	18.0
143.03513	6.6
155.03502	13.1
161.04582	3.5
173.04558	100.0
173.09311	7.3
173.10507	2.6
174.04886	2.7
179.04106	1.5
179.05623	17.3
179.07196	0.9
180.77740	0.7
221.06717	2.1
248.29219	0.8
341.10910	53.6
342.11246	2.6
526.68225	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.8
61.98809	0.6
65.03976	0.7
69.27074	2.1
71.01382	1.4
73.02945	0.5
78.95914	2.2
83.01352	0.3
83.05035	0.4
89.02431	0.6
90.65230	0.3
93.03467	56.2
94.03799	1.4
95.05109	0.4
96.96030	2.4
96.96963	3.6
99.04539	0.4
101.02461	0.8
109.02972	0.6
113.06051	0.3
116.83572	0.3
125.02408	0.6
131.03516	1.2
137.02458	100.0
138.02798	2.9
151.07639	0.5
167.34450	0.3
191.05595	0.5
198.33894	0.4
221.08192	0.3
289.07227	1.5
313.96759	0.3
427.30945	0.4
464.78391	0.4
471.29715	1.4
515.18298	3.6
515.28925	0.7
522.77893	0.4
523.71204	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.6
59.01375	3.7
60.99313	17.0
61.98829	10.8
68.83279	1.3
69.14091	7.4
69.14496	3.8
71.01387	2.5
71.96738	1.5
80.91682	2.3
80.97807	1.6
82.95425	2.9
87.00866	1.8
88.98812	100.0
89.02439	4.7
91.54649	1.5
96.49308	1.6
97.64179	1.5
99.00819	1.7
125.02434	3.4
179.03455	2.9
184.90817	1.7
191.05621	5.0
209.46938	1.5
227.03500	2.2
255.03093	3.1
293.13889	1.6
321.29382	1.6
371.13464	2.1
433.08084	3.0
447.09222	4.0
479.19717	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1906
Annotation	(2'E,8R)-2',3'-Didehydro-2'-deoxy-4',8-dihydroxyverrucarin A
Peak:m/z	Relative Intensity
59.01378	7.6
61.98829	5.2
70.81661	3.5
70.81985	6.1
71.01381	14.4
85.02970	10.8
89.02464	3.8
93.03450	20.3
94.11812	3.3
96.96034	5.4
101.02481	3.8
109.02993	5.4
111.04542	6.8
111.07476	3.3
114.04000	3.3
119.05048	4.7
121.02914	4.0
125.02445	8.1
130.12265	3.1
133.02939	6.1
135.04538	19.8
137.02475	4.4
145.02960	7.1
147.04503	3.5
161.02446	24.6
163.03961	4.1
173.04575	26.9
177.02058	5.0
179.03528	23.9
186.72195	3.0
191.05621	100.0
253.08702	4.5
279.06696	4.7
315.07309	7.5
323.07968	24.5
341.06369	5.2
353.09644	7.3
388.96606	3.6
515.19550	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47776	1.7
55.02798	1.8
57.03454	26.4
58.38697	1.7
59.01384	11.6
69.03446	4.8
71.01372	7.2
71.05029	3.7
73.02957	30.6
83.05023	3.0
85.02973	5.9
86.79227	1.7
87.00862	1.9
95.05028	4.0
97.02962	7.1
97.06587	3.8
98.21877	7.0
99.04543	2.3
101.02434	7.5
106.14552	1.8
109.06593	12.5
111.04513	4.3
113.02443	8.7
113.06026	1.9
121.06583	8.3
123.04507	4.3
123.08169	7.9
125.06042	2.5
127.07665	2.3
135.04546	34.2
137.06090	10.5
149.06079	9.2
149.09737	2.5
151.07651	6.3
153.05571	5.1
161.04608	3.8
161.09705	4.4
163.11285	11.0
177.09279	3.9
187.07614	3.7
189.05530	3.1
189.09174	5.3
190.06311	3.0
205.08571	2.0
207.10185	4.9
227.10847	2.1
229.12288	8.7
241.08696	4.2
241.12376	2.1
243.10226	3.1
244.10869	2.1
245.11823	5.4
247.13327	2.8
259.09787	10.5
259.13385	8.4
261.11142	2.2
271.09613	3.0
281.15472	3.8
283.13272	2.4
287.12753	3.6
299.16510	8.9
353.17603	6.1
361.16422	9.0
365.17642	3.8
371.18259	3.2
383.18671	11.0
383.23489	3.3
411.18326	9.9
413.19635	3.6
423.17270	3.3
423.22174	5.1
435.21857	2.9
441.18671	2.2
453.22672	6.0
457.22311	2.6
461.19772	2.6
467.20834	11.2
471.23749	3.2
479.20773	8.9
485.21844	100.0
486.22128	8.9
497.21790	34.3
515.22778	83.9
515.29016	6.6
516.23492	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2289
Annotation	Arisanschinin J
Peak:m/z	Relative Intensity
52.58583	3.9
54.64758	3.5
56.00884	4.0
57.03447	14.5
59.01375	16.9
69.03483	6.2
70.91602	5.2
71.01397	7.3
73.02957	33.4
83.05007	6.5
85.02941	7.9
97.02966	28.3
97.06572	9.0
99.04558	4.4
109.02968	8.8
109.06575	11.9
111.04534	7.2
111.08190	4.7
121.06615	8.1
123.08153	7.4
135.04546	30.1
137.06064	17.9
139.07672	9.0
147.11815	5.5
149.06123	4.7
151.07643	7.2
161.09753	7.7
163.11346	7.3
175.03987	4.7
176.04776	6.6
177.09236	4.7
179.07285	6.9
191.10854	16.0
219.06613	7.7
227.10805	4.6
245.11864	9.5
257.12085	4.3
259.13541	6.5
269.11948	6.0
299.16718	10.5
335.15826	4.9
349.18710	4.8
361.16434	14.7
383.18646	13.0
405.20755	5.6
406.93762	4.9
411.18039	11.8
423.22198	5.9
471.24194	5.1
471.30759	7.5
479.20844	7.1
485.15039	5.9
485.21896	99.6
486.22186	11.9
497.21829	34.4
498.22696	5.6
515.17157	6.5
515.22833	100.0
515.29974	31.3
516.23395	9.6
518.41431	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2302
Annotation	Arisanschinin J
Peak:m/z	Relative Intensity
57.03453	15.2
59.01369	9.7
61.98832	3.6
67.64384	3.0
68.79745	3.7
71.01384	6.0
71.05011	4.2
73.02957	21.8
83.05022	3.9
83.24905	3.0
85.02972	6.6
95.05047	3.1
97.02946	9.7
97.06591	5.8
98.21979	14.5
99.04517	3.7
101.02466	5.4
108.73817	3.3
109.06587	14.0
111.04544	5.5
113.06117	3.5
121.06596	6.6
123.08141	5.8
125.06061	4.3
135.04520	16.1
137.06071	10.1
149.06085	7.3
153.05603	4.2
161.09766	5.0
163.11316	7.1
173.09781	3.2
179.07108	3.5
189.09404	4.4
191.05634	5.4
198.15190	3.4
205.12344	5.1
207.10135	6.1
219.10194	3.9
229.12285	3.9
243.10190	4.0
245.11758	6.1
259.09723	4.7
259.13406	6.0
299.16644	7.3
337.67920	3.1
343.98187	3.3
351.19400	3.8
383.18884	5.2
395.18591	6.1
405.20816	3.3
411.18161	9.7
413.19794	8.5
423.22021	3.7
439.17374	5.1
441.18784	7.2
453.22882	9.7
457.18698	8.9
467.20828	7.3
471.23782	5.4
479.20883	4.7
485.21899	57.9
486.21991	7.3
497.22040	28.2
498.22147	4.4
515.22858	100.0
515.29956	12.4
516.23157	12.8
516.30249	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.0
59.83432	1.5
62.25195	1.6
66.88175	1.4
69.92229	2.6
71.05033	2.0
74.61761	1.5
78.95908	6.9
83.05027	13.3
91.59339	1.7
99.04530	21.6
100.83038	1.8
111.04537	4.6
112.68535	1.4
117.03478	26.8
119.04236	2.0
119.05018	12.2
121.02963	2.5
123.04514	1.5
123.08183	4.3
132.26714	1.8
135.08205	2.4
145.02971	100.0
146.03293	3.4
152.99554	9.7
161.09779	4.9
163.04024	7.2
195.10286	28.1
196.10510	1.8
203.10799	22.4
215.14528	3.8
253.09398	2.4
271.17096	19.2
279.23306	7.7
287.20145	2.9
295.22903	7.9
319.22867	19.0
355.26501	8.2
423.25479	25.1
424.26099	2.2
433.23566	2.4
441.26331	18.8
469.33414	3.4
483.31201	19.4
501.32190	4.4
515.30463	24.3
515.33282	21.3
516.33801	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70709	9.6
59.01387	11.5
61.27440	9.6
69.07457	11.6
69.07771	100.0
79.10686	9.2
88.24165	9.1
91.18570	10.9
98.21820	19.8
114.62849	9.6
139.67679	10.0
148.11473	9.7
200.64626	9.9
207.90292	11.4
515.33282	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	34.5
70.63270	51.1
71.33366	27.9
74.04692	35.6
78.46558	29.9
78.95910	53.3
84.61377	34.1
115.36678	37.9
152.99643	70.6
157.07188	33.4
169.08702	31.4
180.45076	33.3
291.46552	32.9
297.86993	31.9
298.77649	35.9
372.24139	34.4
399.93103	36.9
435.29099	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
65.53527	35.6
78.95850	36.6
88.59016	32.1
90.46330	33.5
98.22548	79.2
133.19846	34.9
152.99536	48.8
176.01045	35.2
203.70709	37.8
228.49106	35.0
515.30432	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2652
Annotation	Micrandilactone B
Peak:m/z	Relative Intensity
50.81483	0.5
57.03448	1.7
58.28233	0.5
59.01376	5.1
60.23485	0.7
61.24989	0.4
61.98824	1.7
65.61072	0.5
69.03458	3.7
71.01376	3.7
71.05025	1.3
73.02927	0.7
81.03452	1.0
83.05030	7.8
85.02967	1.9
85.06580	0.5
89.02495	1.2
90.01054	0.5
90.34072	0.5
93.07087	1.5
95.05044	2.0
97.02974	1.1
97.06586	0.8
98.03744	2.3
99.04529	5.1
99.62416	0.5
101.02451	7.2
109.06576	3.3
111.08167	23.4
113.02461	1.0
120.75315	0.4
121.02955	0.5
121.06590	2.4
123.08169	3.1
123.53851	0.4
123.68675	0.5
125.06101	0.6
127.04000	0.9
127.07676	0.8
135.08170	1.5
137.06105	1.6
139.07661	100.0
140.07970	3.5
141.09239	1.8
155.07150	7.6
171.06686	0.6
174.27769	0.5
177.09251	1.2
191.10750	1.2
203.10759	1.3
217.15973	0.5
219.10313	3.7
273.14969	1.7
281.19165	0.9
295.16882	0.8
297.18661	1.3
313.18091	1.7
315.19647	3.0
341.17459	0.6
343.19354	0.6
351.23141	0.7
359.18512	1.6
360.80963	0.5
369.24081	0.9
373.25589	0.8
374.83524	0.6
375.18207	10.7
376.18542	0.9
391.26398	1.7
409.27533	2.0
413.23312	1.2
453.26620	2.1
471.27588	12.7
471.34058	1.1
472.27872	1.8
497.25354	1.4
515.26526	85.1
516.26971	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3019
Annotation	Ceanothetric acid
Peak:m/z	Relative Intensity
51.67738	0.8
57.03455	6.7
59.01387	6.2
66.89932	0.9
69.03461	6.2
70.36018	1.2
71.01401	1.0
73.02935	1.1
76.08006	0.7
83.05022	2.5
87.00865	1.1
87.04521	3.0
87.86313	0.8
89.02442	3.4
97.06597	2.1
97.80876	0.7
97.97953	0.6
99.04546	4.0
102.03470	0.7
123.08149	1.4
138.06883	6.1
139.07608	1.5
142.91269	0.8
189.12846	0.8
202.15724	0.9
229.61964	0.7
236.51222	0.8
247.16951	1.1
255.17389	0.9
271.20770	1.5
274.31677	0.8
287.23682	1.5
317.64438	1.0
336.10059	0.8
341.24857	6.2
351.26852	2.5
385.23730	2.3
395.25809	3.5
397.23886	1.3
409.31281	1.2
413.26724	1.6
435.28857	3.1
453.30231	9.1
454.30396	1.1
455.27917	1.0
457.25967	1.6
471.31183	100.0
472.31607	10.7
497.29041	6.6
515.30127	48.0
516.30548	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.8
57.34714	2.4
59.01401	4.2
61.98839	3.5
63.71962	2.7
67.16798	2.5
68.78696	2.4
69.03475	4.7
69.93114	9.4
71.01382	7.2
73.02954	3.0
75.76269	2.5
75.85477	2.4
85.02998	2.4
99.04549	5.4
101.02451	3.2
109.06464	3.5
113.02479	3.6
138.06873	6.8
152.33870	2.9
161.04597	2.6
231.16162	2.7
263.07996	2.9
276.27417	2.5
297.74484	3.2
299.20016	6.5
311.38480	3.0
351.26865	23.7
369.27899	3.2
395.25970	25.0
405.70511	3.0
413.27081	14.9
471.31198	100.0
472.31534	11.0
490.72684	2.6
515.16925	2.8
515.29810	32.7
516.30194	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.9
64.25819	1.2
75.04871	1.1
80.58829	1.1
81.07119	1.2
83.05045	2.0
84.41536	1.3
99.04527	4.2
109.10234	1.4
126.68226	1.2
138.06879	9.3
139.07605	1.8
189.12868	1.6
249.81691	1.2
257.19135	2.1
284.96213	1.2
299.20139	4.0
321.82953	1.3
351.26895	11.0
377.24640	3.2
395.25897	40.5
396.26358	5.2
413.26956	7.9
453.29935	3.4
457.25998	3.3
471.31189	100.0
472.31366	11.5
515.30688	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3018
Annotation	Saponaceolide F
Peak:m/z	Relative Intensity
51.90734	1.5
57.03432	4.8
59.01369	2.5
68.99644	9.5
69.00046	3.0
69.03471	3.1
71.01398	1.7
71.05013	1.6
72.99318	9.3
73.02945	4.0
81.07088	1.4
83.05018	4.2
85.02939	2.9
87.00845	1.8
89.02458	1.8
96.96017	2.7
97.06582	2.3
98.22572	2.4
99.04502	3.6
101.09015	1.3
113.02509	2.4
127.07674	9.3
132.32153	1.5
138.06902	7.9
141.05562	2.9
171.06642	1.4
195.12010	1.3
257.19104	2.5
301.18149	2.5
307.24384	1.9
351.26761	2.1
359.22150	4.2
369.27985	2.6
395.25751	4.4
413.26917	7.0
439.24994	2.1
457.25949	28.9
458.26624	2.2
471.31192	79.3
472.31650	10.1
515.30072	100.0
516.30389	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53584	0.6
57.03457	3.5
59.01381	4.7
61.98815	0.8
69.03452	1.0
71.01389	2.6
71.05025	28.8
73.02950	5.3
81.03453	1.4
83.05029	4.3
83.23364	0.6
85.02955	0.9
87.00903	0.9
89.02431	4.1
95.05043	0.8
97.02949	2.2
97.06594	2.0
98.21767	1.2
99.04500	3.0
101.02467	0.8
107.08649	0.7
109.06647	0.8
111.04520	1.0
111.08174	1.4
115.04041	0.8
115.98038	0.6
123.08192	0.9
125.09731	2.2
129.09207	1.0
137.06053	0.8
139.07639	1.5
151.11371	1.0
175.14754	0.7
177.09380	0.6
196.89209	0.7
201.12837	0.7
201.16559	1.4
204.92130	0.6
232.11519	0.7
238.22841	0.6
259.17035	2.7
265.19815	0.8
321.22388	0.7
337.25510	4.6
355.26428	3.8
381.24368	2.4
397.27618	0.8
399.25375	9.9
400.25668	1.4
453.30206	2.4
471.31366	11.0
497.29095	0.8
515.30200	100.0
516.30554	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	3.6
57.97067	0.9
59.01379	6.1
62.15776	0.9
62.84454	0.8
69.01024	7.8
69.03445	1.8
71.05042	1.1
73.02944	1.8
74.83214	0.9
81.03471	6.3
81.03874	1.2
83.01402	1.0
83.05018	1.4
85.02950	1.4
87.00865	3.1
97.02952	4.8
99.04514	9.2
108.58630	1.1
109.06586	2.5
112.45084	0.8
125.09707	1.2
137.06059	1.8
139.07625	1.1
155.07162	3.1
259.13416	0.9
283.20792	1.9
299.20425	1.0
329.21219	2.9
332.85846	0.8
349.25363	4.3
367.26337	1.3
377.24988	1.4
385.27393	1.2
395.25906	11.0
396.26025	1.0
413.27014	5.1
417.26578	1.1
421.24527	1.1
435.28674	1.1
439.17657	1.1
439.24939	1.4
457.18686	2.2
457.25739	1.5
471.30966	1.6
497.29092	8.2
515.23651	3.9
515.30127	100.0
516.30524	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56716	0.7
57.03450	3.7
58.12964	0.6
59.01379	5.4
65.03986	0.9
66.69916	0.7
69.03459	0.9
69.44271	1.2
69.44676	3.3
71.05002	0.7
73.02948	3.9
79.95733	1.7
81.03454	3.1
83.05038	2.1
85.06574	1.0
86.50538	0.8
87.00877	2.1
95.05025	1.1
97.02961	1.1
97.06616	1.2
98.22491	1.6
99.04508	2.5
106.98093	1.4
107.05025	1.1
109.03042	0.9
109.06588	3.0
113.06078	1.7
121.06533	1.2
124.00742	1.9
125.06100	1.6
135.04510	0.8
137.06084	1.1
155.07178	5.2
156.11137	0.8
161.09700	0.9
163.11374	1.9
167.10690	0.9
175.03998	0.8
176.04883	1.0
179.07155	0.9
189.12846	1.9
207.10326	1.7
219.06590	1.1
273.18530	0.8
274.75809	0.8
283.20596	1.5
297.22464	1.1
299.20157	1.3
329.21164	2.0
349.25284	4.0
351.19708	1.1
367.26480	1.4
377.24854	0.8
391.22925	1.2
395.19321	0.8
395.21341	0.9
395.25928	6.5
409.24054	1.1
413.21835	0.8
413.26926	5.3
435.28989	1.1
439.24881	1.5
453.22748	2.7
457.26004	1.8
471.23764	2.9
485.15915	1.0
497.21762	4.8
497.29138	6.1
515.22833	9.3
515.29901	100.0
516.23010	0.9
516.30328	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.5
59.01380	1.6
69.03452	1.1
69.53382	4.1
72.99299	3.1
76.14639	0.9
81.03455	2.6
83.05011	1.2
85.02917	1.0
97.02944	3.3
97.06624	1.0
99.04525	9.1
125.06132	0.9
126.54559	0.8
131.63919	0.9
132.59320	1.0
135.08136	1.0
138.06813	1.5
151.11275	1.9
159.08179	1.6
165.24846	0.8
173.13365	7.9
177.12848	1.9
203.10791	1.0
215.47868	1.0
240.15240	3.0
255.17467	1.5
269.19202	1.6
270.70062	1.0
299.20108	2.3
335.23715	2.3
351.27032	6.8
351.30902	1.3
369.28238	2.5
377.24564	1.2
383.18146	1.0
393.24741	1.1
395.25897	32.5
396.26343	3.4
413.26999	25.6
414.27371	1.9
417.26694	1.1
452.14352	0.9
453.29962	1.9
457.25961	3.1
466.39279	1.0
471.31168	100.0
472.31607	13.0
515.30164	32.8
515.37830	2.1
516.30603	3.5
539.32660	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.2
57.03436	0.2
59.01099	0.3
59.01388	5.2
61.98845	0.3
69.16970	0.4
69.17371	1.3
69.57852	0.2
71.01390	4.0
71.72662	0.2
72.99305	0.4
73.02942	0.9
78.95895	0.4
83.00378	0.2
83.01389	0.5
85.02957	1.3
87.00872	0.9
89.02458	3.0
91.04008	0.2
95.01385	0.4
96.88698	0.2
99.00890	0.3
101.02452	4.2
108.99229	0.2
113.02488	1.6
119.03507	0.8
125.59894	0.2
135.38528	0.2
143.03499	0.4
152.99561	0.6
161.04572	1.6
179.05623	0.4
233.71445	0.2
235.08215	0.9
253.09306	14.5
254.09526	0.5
261.22232	0.4
279.23312	100.0
280.23657	6.5
332.23843	0.2
396.47235	0.2
427.28638	0.9
451.32556	0.2
483.31100	0.4
497.32980	1.2
515.34021	3.1
516.34369	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94468	3.0
58.57231	2.9
59.01386	5.4
60.18783	2.9
62.10276	3.1
69.20009	16.4
69.63307	2.8
71.01400	3.6
71.05038	7.9
78.95907	11.1
81.03471	4.3
83.05027	33.6
89.02469	3.5
97.06586	5.2
98.22560	7.1
99.04539	66.8
111.04517	15.2
123.08209	8.0
135.08205	6.9
151.11267	6.7
152.99620	12.9
161.09734	20.9
195.10286	100.0
203.10783	83.0
215.14398	10.0
253.09293	15.6
271.17068	67.1
272.17426	8.0
279.23322	96.6
280.23669	5.3
287.20139	15.4
291.19797	3.1
319.22818	66.7
320.23141	5.7
418.51062	4.0
453.03171	3.8
481.21741	3.2
483.31201	51.5
484.31372	9.0
501.32303	22.8
515.33813	79.1
516.33881	6.9
525.71606	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3382
Annotation	(+)-Methyl ganolucidate B
Peak:m/z	Relative Intensity
50.93013	0.9
59.01376	5.0
61.50806	1.0
71.01373	1.7
71.29573	1.2
73.02965	2.9
75.00872	1.3
78.35844	1.2
83.05082	1.2
87.00878	8.2
131.70726	1.3
185.24725	1.0
237.26091	1.4
271.10986	1.3
389.57965	1.2
421.31644	1.8
423.29132	1.9
451.32300	6.8
453.33847	4.7
463.28873	1.3
465.30328	5.8
466.30219	1.6
483.31186	11.0
484.32086	1.7
495.31201	5.8
497.32819	32.2
497.39987	2.4
498.33078	4.0
515.33875	100.0
516.34375	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	7.5
60.62547	1.0
60.99310	13.3
61.98839	3.2
68.38440	1.0
69.22353	10.2
71.01384	5.1
73.02942	1.2
74.90571	1.1
81.07046	1.3
85.02956	1.6
88.98814	100.0
89.02444	17.5
98.22556	2.4
101.02477	2.6
104.95489	1.1
109.02991	5.4
114.47021	1.2
131.03514	3.5
135.04602	1.7
141.47447	1.2
145.02922	2.2
146.03343	1.5
149.04535	3.6
153.09225	2.2
173.04507	2.4
188.27570	1.3
191.05594	6.8
205.12376	3.5
247.86676	1.1
281.04568	2.4
282.04941	5.0
341.06735	4.2
342.07065	10.5
361.00714	1.4
517.22626	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83015	4.8
57.77911	4.8
59.01382	81.1
61.98839	7.5
71.01015	3.4
71.01385	88.6
71.31160	7.1
72.99263	5.2
73.02954	13.9
78.95924	12.7
83.01383	6.4
85.02954	22.2
85.03423	4.5
89.02454	70.8
96.81885	4.9
96.96978	14.6
97.02968	6.8
97.85654	4.9
101.02453	49.5
102.39313	4.6
109.02969	12.3
109.36301	5.3
113.02466	32.5
115.00393	8.7
119.03519	39.9
125.02467	25.9
131.03601	10.8
134.03700	4.9
135.04521	16.4
143.03465	14.7
144.04561	13.8
161.04549	20.5
173.04558	7.6
179.03484	10.7
179.05598	22.8
190.05161	10.7
191.05621	21.8
193.04990	7.5
208.02411	5.1
221.06615	20.9
234.78281	6.6
255.10321	7.7
263.07645	11.4
323.09879	100.0
368.24252	5.3
389.67368	5.4
456.15106	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99050	0.5
59.01375	1.6
61.98834	100.0
69.03475	0.6
69.13314	1.0
69.13715	3.5
70.03768	0.5
70.39639	0.4
71.01389	2.1
73.02953	1.2
83.05051	0.8
85.02977	2.0
87.00881	0.4
89.02454	0.8
91.58790	0.4
92.50688	0.5
97.02956	2.2
99.04559	0.6
101.02482	0.8
113.02486	0.8
139.07669	2.2
150.19968	0.5
161.04630	0.8
180.62601	0.4
182.94012	0.4
195.04185	0.4
213.83850	0.5
226.77936	0.4
320.13977	0.4
376.18732	1.5
384.24911	0.8
396.22794	0.5
418.27069	0.6
458.23163	0.6
472.28015	0.6
516.31897	4.2
517.31995	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02328	100.0
100.78265	7.8
126.68064	8.0
130.29977	8.4
152.99585	10.3
228.67151	9.3
249.71265	8.2
346.31421	8.8
400.62808	8.8
428.52362	9.1
497.90631	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1352
Annotation	CHEBI:66280
Peak:m/z	Relative Intensity
59.01369	1.8
62.23733	1.2
67.01890	1.6
69.03456	1.2
71.01382	2.1
83.05016	2.3
85.02953	3.7
87.00896	2.2
93.03460	16.0
94.98096	4.1
98.21806	2.5
107.05010	1.7
108.02166	2.0
109.02959	16.8
111.04516	4.7
119.05042	27.4
121.02979	1.3
122.03743	2.5
129.01901	1.7
133.06619	3.1
134.03731	4.1
135.04538	100.0
136.04874	3.4
137.02455	2.6
144.56375	1.2
149.06038	1.6
151.66254	1.2
155.03523	5.5
161.06090	1.7
163.04031	50.4
164.04465	1.4
173.04568	26.6
179.03519	78.5
180.03786	3.1
191.05635	40.7
193.04878	2.3
194.23154	1.1
239.07187	2.9
239.83401	1.0
242.80563	1.1
248.51871	1.1
255.10284	60.6
256.10605	3.6
283.06125	1.6
299.09238	8.2
303.85309	1.2
325.06946	1.5
337.09335	15.1
343.08163	11.2
473.14474	4.5
517.13586	13.7
518.13574	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	15.9
69.12402	3.7
69.12817	6.8
71.01388	11.7
72.99310	1.2
73.02962	2.2
82.95418	7.9
85.02947	1.7
89.02460	13.2
97.02982	1.4
98.21631	1.1
101.02451	7.7
111.04471	1.4
113.02434	1.7
119.03544	1.2
128.98172	1.2
129.02058	1.1
131.03516	12.1
133.10236	2.1
135.11813	17.8
149.04584	11.9
159.11708	1.2
161.09746	7.3
173.04521	1.8
179.10788	100.0
180.11101	5.1
191.05624	9.9
203.10869	2.1
223.09778	64.2
224.10100	3.0
263.12970	1.3
265.10895	1.6
436.24329	1.3
500.95709	1.2
517.19214	6.3
517.33209	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59662	1.8
57.03453	2.4
59.01390	22.6
61.98834	2.7
69.19254	14.2
71.01385	18.1
73.02930	5.3
82.95425	7.4
85.02959	5.1
87.00884	13.2
87.04528	2.8
88.98782	2.4
89.02464	16.0
90.04934	1.8
97.19189	2.0
101.02455	10.9
113.02464	3.1
115.07641	3.3
125.02462	5.3
131.03532	14.3
135.11812	14.9
135.77391	2.0
149.04578	9.2
161.09767	4.0
165.09218	3.1
173.04617	5.7
179.10800	100.0
180.11140	4.2
185.58954	1.8
187.07666	4.3
191.05646	15.2
202.06346	2.3
205.08714	2.2
209.08220	15.2
210.42274	1.9
214.02878	1.9
223.07597	2.4
223.09767	49.9
225.11636	2.0
233.11705	2.1
263.12909	5.5
265.10855	3.1
307.11838	2.9
324.06223	3.0
339.08792	2.2
339.91418	1.9
455.30563	2.9
473.31128	13.7
481.17056	3.4
517.18878	3.3
517.33350	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.3
61.98824	3.9
62.59353	1.7
71.01372	13.8
72.99292	1.7
73.02953	2.3
81.51370	1.7
83.46345	1.5
84.66148	1.6
84.95157	2.6
85.02966	3.3
89.02438	16.8
93.03472	2.1
101.02435	6.9
113.02465	4.1
125.02442	3.9
131.03551	9.0
133.10233	2.0
135.11821	19.1
149.04576	7.2
161.09729	4.5
163.07660	2.8
165.65648	1.6
173.04521	2.3
179.10780	100.0
180.11118	2.8
187.07841	1.6
191.05592	10.4
212.04559	1.8
223.09769	79.2
224.10114	4.9
234.48700	1.7
457.16562	1.7
468.41708	1.7
473.31342	2.5
517.19385	5.3
517.29553	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.3
61.98824	3.9
62.59353	1.7
71.01372	13.8
72.99292	1.7
73.02953	2.3
81.51370	1.7
83.46345	1.5
84.66148	1.6
84.95157	2.6
85.02966	3.3
89.02438	16.8
93.03472	2.1
101.02435	6.9
113.02465	4.1
125.02442	3.9
131.03551	9.0
133.10233	2.0
135.11821	19.1
149.04576	7.2
161.09729	4.5
163.07660	2.8
165.65648	1.6
173.04521	2.3
179.10780	100.0
180.11118	2.8
187.07841	1.6
191.05592	10.4
212.04559	1.8
223.09769	79.2
224.10114	4.9
234.48700	1.7
457.16562	1.7
468.41708	1.7
473.31342	2.5
517.19385	5.3
517.29553	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42805	0.7
53.52713	0.7
57.03444	1.0
59.01095	0.9
59.01384	13.1
65.00302	0.8
68.39506	0.6
69.16131	5.3
71.01386	9.8
72.99303	0.7
73.02957	1.1
81.03464	4.5
83.01403	1.6
89.02454	13.5
95.09171	0.7
97.02966	0.9
101.02467	2.5
113.02463	1.7
122.03749	1.6
123.08166	2.7
125.02455	9.8
125.06118	3.8
131.03523	2.6
148.05341	5.3
149.04558	3.9
151.00385	1.4
163.07620	2.0
165.09215	24.4
166.09598	0.8
168.31908	0.8
185.99677	0.8
186.47572	1.0
191.05618	1.7
191.07162	1.2
209.08199	100.0
210.08545	4.2
293.08807	5.9
303.68683	0.7
336.21814	0.6
403.98184	0.8
411.77701	0.8
517.19397	9.0
518.19495	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85740	0.5
54.68539	0.6
55.01886	1.9
57.03446	1.9
58.00589	4.5
59.01381	95.1
60.01698	0.7
69.03449	1.2
71.01385	74.2
72.01708	0.8
72.99309	4.1
73.02950	9.9
75.00892	1.0
81.03469	0.7
83.01406	4.7
85.02953	17.1
87.00874	7.8
89.02450	100.0
90.31891	0.6
93.03468	1.0
95.01402	1.3
95.05016	0.6
96.96038	1.6
97.02973	1.9
98.21722	1.1
99.00893	11.0
101.02448	46.7
109.03024	0.7
111.00903	0.8
113.02460	15.6
115.04029	0.6
119.03511	8.9
119.04971	0.8
121.02962	2.1
125.02464	6.4
129.01959	4.5
131.03511	90.1
132.03877	1.1
136.05347	1.0
137.24394	0.6
138.06911	1.6
143.03506	2.7
149.04564	57.8
150.04927	1.2
151.07646	0.8
152.08449	3.5
153.09212	6.5
161.04575	3.8
161.05942	0.7
161.09698	2.3
163.11267	1.0
173.04510	3.8
175.03914	0.8
175.07635	1.7
176.08434	1.9
179.05609	1.8
187.11281	11.1
189.09195	0.8
190.10010	2.7
190.40706	0.6
191.05620	74.3
192.05972	1.5
201.09135	0.9
203.10777	0.9
204.11505	1.3
205.10504	1.1
205.12341	17.4
215.10742	0.7
219.10236	0.8
221.06642	1.7
223.13361	1.7
229.43616	0.8
233.06651	0.8
233.11862	3.0
249.11348	1.2
251.07704	2.0
255.10234	1.6
261.30341	0.6
277.14246	1.0
293.08914	2.1
295.15195	0.8
311.09656	0.8
337.00491	0.7
343.08154	1.0
366.53946	0.6
385.18576	2.7
517.23273	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.8
57.03454	6.0
58.00594	3.2
59.01385	97.3
67.01873	1.1
69.03449	3.5
71.01388	100.0
71.29914	1.4
72.99298	4.0
73.02951	14.9
75.00869	2.4
81.03458	2.5
83.01409	7.0
83.05006	1.3
85.02959	23.3
87.00882	4.1
89.02453	85.8
93.03456	4.6
93.38607	1.3
95.01398	3.9
95.05013	1.7
96.23878	1.2
96.96025	1.7
97.02956	9.3
99.00887	12.6
101.02454	47.3
102.98606	1.6
105.16717	1.0
108.05817	1.9
109.02963	2.4
109.06632	2.3
111.04494	2.1
111.08230	1.1
113.02467	21.5
113.06067	1.6
115.00367	1.1
119.03497	7.5
123.08190	2.7
125.02460	21.0
125.06072	3.2
129.01984	4.4
131.03514	55.3
131.07147	2.3
132.03831	1.2
134.03767	1.3
135.04532	1.7
136.05357	2.7
138.03226	1.4
138.06876	16.4
139.07661	6.6
143.03514	7.0
149.04575	28.4
149.05891	1.8
151.07658	13.1
152.08444	30.2
153.05598	3.2
153.09236	62.0
154.09552	2.7
159.02968	2.0
161.04594	18.3
161.09756	1.3
163.11270	6.5
165.09163	1.7
173.04578	3.6
175.04054	1.3
175.07661	1.5
179.03592	1.5
179.05658	3.7
189.09167	1.3
190.09998	2.5
191.05643	54.6
192.06026	1.7
193.05045	3.2
201.09183	1.2
205.12361	72.1
206.12691	2.7
223.13417	13.9
225.05919	3.5
233.06635	2.4
251.07578	1.3
255.10277	3.4
293.08765	6.2
325.07272	1.8
343.08276	1.9
355.10406	1.3
385.18723	24.2
386.18945	1.6
459.05978	1.1
475.12427	1.5
517.14056	3.4
517.22943	24.6
518.23083	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.1
57.03412	2.4
57.04739	0.6
58.00572	1.5
59.01388	21.9
69.09089	3.5
69.09499	1.6
71.01387	22.3
71.01768	0.7
72.99274	1.6
73.02587	0.6
73.02949	8.4
75.00849	1.1
81.03444	0.7
83.01400	5.6
85.02959	12.9
86.00070	0.7
87.00884	3.2
89.02451	7.6
95.01365	1.7
97.02926	1.5
98.21770	1.3
98.78181	0.7
98.97667	0.6
99.00888	5.5
101.01842	1.0
101.02451	17.8
110.05730	0.5
110.98634	0.8
111.00859	1.6
112.12004	0.6
113.02463	6.8
119.03494	0.7
121.02966	6.9
122.03724	1.1
122.91832	0.6
125.02428	1.5
129.01918	0.8
130.50270	0.7
131.03513	3.1
132.31308	0.6
133.99185	0.6
137.02403	0.6
141.01927	0.7
143.03432	1.2
147.35588	0.6
148.05261	1.7
149.04559	1.2
149.06073	10.5
159.02971	0.6
161.04514	1.6
171.45781	0.6
191.05573	1.2
208.11066	25.3
209.08176	1.0
209.11768	4.9
222.70396	0.8
223.13403	32.4
224.13753	1.6
233.06750	1.0
293.08804	1.1
370.15451	0.9
385.18695	100.0
386.19110	9.6
502.21292	0.8
517.22955	53.1
518.23462	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16549	1.8
54.31278	1.6
57.08006	1.8
58.00595	2.9
59.01384	100.0
69.03461	6.4
70.27493	4.6
71.01389	56.5
72.35271	1.6
72.99307	4.0
73.02946	24.9
81.03449	5.1
83.01411	5.2
85.02955	19.0
87.00888	2.9
89.02444	27.6
94.88387	1.7
95.01389	2.4
97.02971	13.3
98.22234	4.2
101.02454	38.4
102.02710	1.9
103.04025	30.0
113.02478	5.5
119.03503	17.3
125.02462	37.4
127.04007	3.0
135.67812	1.8
143.03560	4.5
145.05066	6.3
149.09735	62.5
149.10895	4.0
161.04510	2.5
163.06152	35.9
163.07660	11.7
205.07182	3.4
247.08247	9.2
289.09357	2.0
307.10349	34.2
322.08618	2.4
337.10956	7.5
457.20947	5.5
517.30243	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
57.03452	7.7
59.01377	4.9
61.98832	9.4
69.03392	1.1
69.03637	2.5
69.04037	3.6
71.01373	2.4
71.05018	4.6
71.24989	0.7
73.02950	18.4
78.70927	0.6
81.03463	0.9
83.05033	1.9
85.02964	7.2
86.52512	0.6
87.00868	2.2
87.04480	0.8
95.05025	1.2
97.02962	2.9
97.06586	2.7
98.22169	3.3
99.04528	16.2
101.02454	1.8
107.05072	1.3
109.06606	6.0
111.04536	1.5
113.02457	1.4
115.04024	1.8
119.05016	0.9
121.05838	0.7
121.06593	4.4
123.04554	0.9
123.08139	3.0
133.02890	0.7
133.06638	0.8
134.03746	1.0
135.03506	1.0
135.04532	18.3
135.08167	1.7
136.05215	0.8
137.06137	4.4
139.04056	0.8
139.07693	0.9
147.04561	1.0
149.06096	4.7
151.07623	3.4
159.08176	1.0
161.04556	1.0
161.05971	0.8
161.09732	3.8
163.07605	1.4
163.11302	5.4
165.05565	0.7
173.09714	0.9
174.06979	0.7
175.11298	1.0
177.09227	2.2
179.07182	0.9
179.10764	1.5
188.08389	0.8
189.05540	1.7
189.09274	3.3
190.06403	2.5
191.05600	1.5
191.10837	1.6
201.09280	1.6
201.12553	0.7
203.07170	0.7
203.10854	1.0
205.08688	1.4
207.10321	3.4
209.11774	0.6
213.09096	0.7
215.07101	2.3
215.10840	0.9
215.14314	1.3
217.08681	1.3
219.10324	1.7
222.05322	1.2
223.09790	1.5
227.10828	1.9
229.08646	1.2
229.12318	1.8
233.08319	1.2
235.09761	1.3
241.12288	2.4
243.10226	0.8
245.11813	2.6
247.13469	1.0
257.11829	2.1
259.13354	7.5
269.12265	0.7
269.15414	1.1
271.13348	1.9
281.15518	2.3
283.13541	0.8
285.14996	1.1
287.09500	1.2
287.12845	3.4
297.14972	0.9
299.13177	1.2
299.16595	4.7
309.14984	2.4
311.16449	1.2
311.25867	1.4
317.13730	1.3
325.14499	0.7
327.16074	2.1
339.15988	2.9
345.17163	2.7
357.16995	3.7
361.16476	5.6
367.15527	6.6
379.19156	3.4
385.16577	9.3
397.20282	5.2
401.19690	2.1
415.21149	3.7
423.17886	0.8
431.20700	2.9
441.19205	21.4
442.19547	2.2
459.20267	100.0
460.20676	9.5
473.31592	0.8
499.19406	1.0
499.23331	1.0
499.29916	0.8
517.24231	6.5
517.31580	7.4
518.24799	0.9
518.31891	0.8
518.52332	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66305	7.3
53.68417	9.8
61.35744	8.2
69.04752	100.0
84.25291	7.6
87.00918	11.3
98.86011	9.1
149.39761	9.0
152.99596	11.5
161.87399	8.9
186.84746	9.2
435.68323	9.8
517.31146	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04230	7.1
62.86393	5.8
70.94831	15.2
71.05039	6.5
78.95898	56.0
83.37543	6.6
87.00888	15.8
97.83787	6.0
106.65442	6.3
121.02966	26.1
123.02004	7.1
125.64349	6.5
152.99582	100.0
187.50871	6.2
236.90054	7.2
405.71771	8.3
431.22073	37.3
517.36212	92.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	52.8
70.95586	33.0
78.95905	45.9
84.79018	30.1
97.49370	28.7
98.22531	100.0
121.02936	53.5
133.66141	30.8
152.99535	43.2
161.23936	30.2
228.96358	46.3
256.36411	31.4
286.09174	34.2
382.10675	36.6
515.62177	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70774	50.3
56.82426	45.3
70.94428	100.0
76.23450	40.4
79.78637	42.8
208.33876	48.6
231.07506	41.9
517.26910	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04856	23.0
58.98816	23.7
59.01357	40.3
61.98831	33.0
69.75870	57.8
69.76234	43.9
78.95879	35.5
91.56500	21.9
93.87576	22.3
98.21709	26.6
138.60660	25.2
280.97968	25.7
281.86426	25.1
368.52332	31.8
372.73019	26.3
437.30530	37.4
457.29312	28.7
517.32043	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72113	13.4
69.06654	100.0
69.07076	37.1
72.03330	12.5
116.90273	10.4
155.18706	11.9
462.82758	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01348	0.8
60.18783	0.9
66.96854	0.7
70.48642	1.7
70.48965	1.0
74.41897	0.8
76.04858	0.8
78.95905	5.8
92.80817	0.9
93.03451	0.9
95.05041	1.4
101.25728	0.9
105.03438	5.2
117.03454	1.8
119.05036	2.1
121.02991	1.2
126.52297	1.1
132.02174	3.9
133.02969	23.1
134.03766	14.9
135.04536	17.3
137.02470	1.7
147.04552	2.8
149.06061	1.5
152.99588	12.3
160.01668	8.6
161.02444	13.9
161.06052	2.2
175.04008	25.8
176.04344	1.3
178.02762	1.1
179.03545	9.2
193.05112	6.0
207.06676	1.5
238.06491	1.0
245.51915	0.9
265.08716	1.8
267.06525	1.0
275.07196	0.9
293.08145	4.4
294.08942	4.1
297.75177	0.9
307.09763	1.1
311.09280	2.4
325.11020	1.5
326.11673	4.9
327.12241	1.1
341.13889	1.3
371.35175	1.1
381.31680	1.7
425.30295	1.0
431.22104	1.3
459.14801	1.8
469.13412	1.3
469.29642	3.1
487.14099	8.8
501.15598	1.0
502.16370	18.1
503.16763	2.9
517.18713	100.0
517.31677	5.3
518.18896	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14668	0.8
57.03432	1.0
59.01386	4.9
69.08181	5.9
69.08587	1.2
71.01038	1.0
71.01392	14.1
73.02940	0.8
83.99588	1.0
85.02937	2.0
87.00877	3.1
87.04502	4.1
89.02452	59.4
90.02827	0.9
97.02952	2.9
98.22533	1.8
99.04506	5.0
101.02495	1.2
112.17265	0.8
116.39636	0.7
119.82037	0.8
128.61446	0.8
133.05063	0.9
139.07663	1.1
383.25604	0.9
387.25452	0.9
441.15414	1.7
455.31570	2.3
499.30923	3.0
517.31763	100.0
518.32092	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	6.7
59.01375	0.8
70.35348	0.8
70.35705	1.0
71.01380	0.4
79.67764	0.5
80.93067	0.4
83.05029	0.6
98.22516	0.5
103.50591	0.4
111.08118	0.5
147.08055	0.4
205.08792	0.5
337.25449	0.6
353.28735	0.9
397.27509	7.3
398.27701	0.9
415.28516	2.3
419.30173	0.6
424.48843	0.4
437.30569	3.6
441.26532	1.3
455.31778	4.1
456.31784	0.5
459.27676	0.7
473.33148	2.4
481.29736	1.6
499.30762	8.7
500.30786	0.6
517.31732	100.0
518.32056	10.2
537.48218	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.317
Annotation	Saponaceolide E
Peak:m/z	Relative Intensity
56.00103	0.8
57.03437	1.7
67.37687	0.7
69.08711	5.1
72.99306	0.8
87.00879	2.2
89.32486	0.7
98.21791	1.3
100.86714	0.7
111.04517	1.6
112.44622	0.7
147.54868	0.6
153.05569	1.0
212.22989	0.7
413.27078	2.1
422.00064	0.8
499.30475	1.7
517.31714	100.0
518.31891	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3173
Annotation	Saponaceolide E
Peak:m/z	Relative Intensity
50.41726	0.5
50.81621	0.4
57.03450	3.9
59.01360	0.8
61.98838	0.7
70.64635	0.8
70.64980	1.1
85.02966	0.8
88.52847	0.5
109.06626	0.8
111.04538	4.6
111.08159	0.5
124.38112	0.5
134.56581	0.5
153.05559	1.8
209.04625	0.5
216.94693	0.5
246.43996	0.5
327.89288	0.5
329.21164	3.7
347.22421	1.2
353.28708	0.6
369.24332	1.1
379.26398	1.9
387.25507	0.6
397.27533	4.1
415.28424	1.3
423.25400	1.1
437.30930	2.6
441.26535	6.2
442.26822	0.5
459.27658	2.0
481.29587	3.5
499.30707	16.1
500.31110	1.8
517.31726	100.0
518.32007	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25584	0.4
58.89224	0.4
59.01382	2.5
61.98832	0.7
71.01388	0.8
71.72044	0.4
75.70888	0.4
85.64284	0.4
89.02455	0.7
91.04015	0.8
102.61553	0.5
103.51463	0.4
117.03478	25.0
118.03807	0.7
119.05039	11.1
121.02969	2.7
123.04535	0.8
129.62274	0.5
132.05804	0.6
133.02951	0.9
145.02968	100.0
146.03293	2.7
163.04028	5.9
182.17805	0.4
184.01964	0.4
193.02345	0.4
281.24805	2.7
297.24384	6.5
357.28030	6.5
361.56628	0.4
362.12677	0.4
381.27814	0.5
425.27005	24.6
426.27383	2.7
443.28061	23.2
444.28394	2.2
510.88025	0.5
517.31696	38.0
518.32086	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.2
59.56496	0.6
78.06513	0.5
84.70820	0.6
95.90520	0.5
98.22586	0.9
107.58780	0.6
115.54605	0.5
117.03472	20.6
118.03830	0.8
119.05035	11.2
119.05830	1.0
121.02950	2.7
132.05858	0.8
133.02975	0.7
140.80699	0.6
145.02966	100.0
146.03287	2.7
156.89815	0.7
163.04053	4.4
183.27359	0.6
297.24316	7.4
298.24734	0.8
330.88263	0.7
357.27969	7.2
358.28522	0.8
362.08209	0.7
381.27936	1.7
425.26974	23.8
426.27356	2.6
443.28061	21.5
444.28253	1.9
490.39929	0.7
517.31647	33.0
518.31927	3.6
543.14801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3536
Annotation	Methyl quadrangularate I
Peak:m/z	Relative Intensity
53.36627	0.6
55.01850	0.7
55.14817	0.6
57.03459	3.7
59.01388	0.7
69.03458	0.9
71.01389	8.0
71.30770	0.8
80.73770	0.5
82.21200	0.6
83.05057	0.7
83.48839	0.7
90.51941	0.6
137.06125	0.7
138.42410	0.6
192.58929	0.7
363.26904	1.0
365.28571	5.7
383.29428	0.9
409.27716	0.7
413.30530	2.8
423.32785	11.3
424.33148	1.6
435.28897	0.6
441.33896	2.7
485.32495	1.6
487.34402	0.9
517.35486	100.0
518.35773	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.354
Annotation	Hippuristerone H
Peak:m/z	Relative Intensity
55.90219	0.8
59.01389	1.9
69.74972	1.1
69.75345	1.5
71.01390	42.4
72.01702	0.8
72.68305	0.6
87.00890	10.9
87.59035	0.7
87.76110	0.7
89.02467	2.4
104.13661	0.7
126.01913	0.7
136.29919	0.7
182.20592	0.7
202.65573	0.8
231.38080	0.7
395.29315	0.9
413.30737	0.8
427.32239	0.8
433.21097	0.7
439.31976	1.0
439.97656	0.7
517.35364	100.0
518.35767	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69085	0.7
54.59557	0.6
55.04352	0.6
69.02728	0.6
69.03057	6.3
78.95910	46.2
89.01754	1.0
96.96967	5.4
114.36659	0.7
150.98033	1.0
152.99597	100.0
153.99945	1.4
154.87984	0.8
171.00665	3.7
244.58740	0.7
313.31412	0.7
348.50009	0.7
431.22055	21.3
432.22458	1.2
475.24884	2.8
477.07510	0.9
491.77914	0.7
518.25146	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.8
61.98837	3.1
68.02174	2.6
69.05828	7.6
69.06255	16.9
77.07384	2.9
78.95911	56.2
82.48469	2.6
88.37225	2.8
96.36539	2.7
96.96981	3.9
97.87559	2.6
98.21708	4.9
117.23404	2.8
120.72424	2.7
149.38208	3.0
152.99602	100.0
240.08095	3.0
373.11398	2.9
431.22198	17.0
518.34985	5.7
519.37000	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	12.8
63.03638	11.7
78.95908	44.9
83.05022	18.7
87.00874	11.9
93.89941	11.9
121.02966	14.9
152.99588	100.0
195.51018	11.6
200.27571	12.5
268.28638	13.2
309.85785	14.4
431.22168	27.3
518.32159	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.6
59.71864	2.8
61.98820	7.8
71.01366	9.4
71.31523	5.3
73.02937	9.6
85.02948	9.5
87.04498	3.5
89.02489	3.7
91.66554	3.6
97.02907	6.5
98.22008	4.8
99.04494	6.9
111.08152	5.0
113.54523	3.6
136.68494	3.1
191.05653	5.1
222.03555	3.2
279.88156	3.3
318.79303	4.0
378.00781	3.6
386.24289	4.9
388.14673	4.9
500.31250	4.4
518.24768	5.3
518.32050	100.0
519.32959	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01890	39.5
61.98830	42.1
71.22005	36.3
78.95913	83.7
141.60922	37.5
152.99603	100.0
159.34448	38.2
396.28354	42.4
488.12863	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23917	0.8
59.01381	17.0
61.98840	2.2
63.33435	0.9
66.92506	0.8
69.00923	3.2
69.01337	5.7
71.01389	5.2
73.02935	2.0
81.03473	1.0
83.05054	1.6
85.02959	10.3
87.00890	3.5
89.02452	3.6
92.41173	0.8
93.03469	7.4
98.21817	2.2
101.02468	3.5
109.02963	2.4
111.04514	2.1
113.02420	2.0
116.92889	0.9
119.05090	1.5
125.02465	1.1
127.04047	1.6
129.01967	1.1
131.03548	1.9
137.02463	1.7
141.52876	0.9
143.03484	0.8
155.03548	1.5
159.04524	0.9
161.04559	2.0
173.04507	8.1
177.01959	1.0
182.07433	2.5
191.05627	100.0
192.05948	2.8
193.08762	1.0
197.09738	11.1
198.10088	1.0
211.11255	1.1
213.12871	2.6
257.11792	2.5
269.08282	1.2
301.10843	14.2
345.10049	1.1
387.20300	4.5
475.32986	5.8
476.33878	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23917	0.8
59.01381	17.0
61.98840	2.2
63.33435	0.9
66.92506	0.8
69.00923	3.2
69.01337	5.7
71.01389	5.2
73.02935	2.0
81.03473	1.0
83.05054	1.6
85.02959	10.3
87.00890	3.5
89.02452	3.6
92.41173	0.8
93.03469	7.4
98.21817	2.2
101.02468	3.5
109.02963	2.4
111.04514	2.1
113.02420	2.0
116.92889	0.9
119.05090	1.5
125.02465	1.1
127.04047	1.6
129.01967	1.1
131.03548	1.9
137.02463	1.7
141.52876	0.9
143.03484	0.8
155.03548	1.5
159.04524	0.9
161.04559	2.0
173.04507	8.1
177.01959	1.0
182.07433	2.5
191.05627	100.0
192.05948	2.8
193.08762	1.0
197.09738	11.1
198.10088	1.0
211.11255	1.1
213.12871	2.6
257.11792	2.5
269.08282	1.2
301.10843	14.2
345.10049	1.1
387.20300	4.5
475.32986	5.8
476.33878	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.3
57.03443	5.4
58.00583	4.0
59.01384	100.0
61.98834	3.2
69.03442	4.6
71.01388	85.1
71.31815	1.8
72.99305	4.5
73.02950	23.4
75.00850	2.0
81.03453	4.6
83.01382	8.6
85.02958	24.1
86.00111	1.7
87.00865	6.8
89.02451	68.2
91.01888	7.5
93.03468	5.9
95.01396	1.8
95.05045	1.5
97.02965	8.8
99.00880	4.2
101.02450	52.5
103.04015	18.3
111.00887	4.7
111.04575	2.6
113.02460	21.5
119.01398	1.8
119.03506	12.9
120.65632	1.3
121.02976	6.8
125.02453	29.3
127.04050	2.0
131.03508	20.1
137.02463	5.7
138.06903	12.8
139.84099	1.5
143.03510	5.9
145.05099	2.7
149.04567	24.4
151.04019	59.3
152.04378	2.4
153.09230	37.6
159.02992	3.1
160.31989	1.5
161.04585	13.4
163.06155	14.2
165.09227	2.8
179.03584	1.7
191.05684	10.0
207.13896	2.9
225.14992	38.3
226.15419	3.0
233.06688	4.8
247.08221	4.5
289.09378	1.4
293.08832	5.9
307.10315	8.7
310.30627	1.3
339.12476	1.4
357.13446	1.9
369.19131	2.3
387.20291	26.0
427.12531	1.7
519.18848	2.5
519.24561	58.8
520.24854	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11119	0.2
54.62607	0.2
55.01882	4.3
57.03450	3.9
58.00597	2.7
59.01383	43.2
60.01703	0.2
67.01900	0.3
68.99818	0.7
69.03452	0.9
71.01388	82.3
71.05011	0.3
71.31207	0.3
72.01727	0.7
72.99314	4.8
73.02952	19.0
73.64373	0.2
74.03300	0.2
75.00873	1.8
81.03454	0.3
83.01395	10.3
84.02168	0.5
85.02959	32.8
86.00095	0.5
86.03314	0.5
87.00883	4.0
89.02451	21.6
93.03449	0.3
93.47954	0.2
95.01397	6.3
97.02967	2.1
99.00890	8.8
101.02451	53.2
102.02778	0.7
107.05061	0.3
111.00880	1.2
112.01656	0.2
113.02460	31.5
114.02792	0.7
115.04007	0.4
119.03519	7.8
121.02941	0.6
124.01674	0.3
125.02449	1.6
129.01973	1.4
131.03500	0.5
135.04485	0.3
137.02524	0.3
139.11333	0.3
141.12895	0.4
143.03529	2.4
147.06572	0.2
149.04535	0.6
149.54880	0.2
159.03008	6.2
160.03329	0.2
161.04573	19.6
173.06055	1.1
174.06911	0.5
179.05608	0.6
185.11884	2.1
186.47247	0.2
191.07182	0.3
205.03545	0.7
223.09836	0.5
223.13414	0.2
251.10713	0.2
265.32852	0.2
279.10327	0.7
281.11703	1.2
288.89142	0.2
289.29742	0.2
291.10376	0.2
295.22729	0.3
297.24329	1.0
298.24805	0.2
303.23041	0.2
307.09753	0.5
309.11163	1.3
309.24362	3.8
321.24286	0.7
325.23706	0.5
327.25455	9.6
328.25705	0.8
337.23663	0.3
339.25394	8.2
339.29517	0.4
340.25854	0.6
345.13492	0.3
355.24988	0.4
357.13580	3.7
357.26480	22.3
358.13733	0.4
358.26804	1.8
381.53674	0.2
399.27585	0.4
489.18768	0.4
489.30624	2.6
490.30841	0.4
501.30844	1.2
519.31763	100.0
520.32117	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1876
Annotation	Pinoresinol O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03461	0.9
59.01379	3.7
71.01389	5.1
73.02965	2.4
85.02955	2.1
89.02476	1.7
93.03488	1.7
95.01423	1.3
101.02470	2.9
101.06076	1.1
108.02188	1.2
113.02454	2.2
121.02972	4.9
122.03768	4.7
135.04573	1.0
136.01674	71.7
137.02419	3.4
151.04018	100.0
152.04367	2.5
160.05263	1.3
161.02464	0.9
161.04597	1.8
162.03255	1.4
163.04027	1.4
175.04012	1.2
175.07628	1.1
175.10382	0.8
177.05617	0.9
179.03442	0.8
191.05673	1.5
229.44829	0.9
311.12979	1.6
342.11267	4.6
357.13455	82.0
358.13776	5.9
387.20538	4.0
450.29837	0.8
474.85574	0.9
475.32867	10.7
523.35925	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.8
73.02949	1.1
76.37859	0.7
95.79211	0.7
108.02184	2.2
109.02946	1.1
114.38076	0.8
121.02973	15.5
123.04530	2.2
135.04533	2.4
137.02438	2.4
145.02878	1.8
147.04541	1.4
162.06927	1.0
170.38527	0.9
194.05826	1.3
199.04004	0.8
209.08139	1.0
211.07491	0.9
225.05568	1.4
227.07166	1.2
237.05530	1.7
238.06334	1.0
239.07140	2.7
240.04343	1.5
241.05051	2.2
252.07904	0.9
253.05072	2.2
253.08736	1.2
254.05826	1.9
255.06599	7.7
263.07028	0.9
264.08008	1.1
265.08823	1.5
267.06644	13.7
267.09641	1.3
268.07388	6.4
269.08218	22.3
270.08572	1.2
271.02344	1.5
280.07492	3.6
281.08240	8.4
282.08972	2.5
283.09775	13.9
283.12744	1.5
284.10526	5.7
295.09775	8.1
296.10559	3.6
297.11426	1.8
298.08621	1.2
298.11905	1.1
299.02106	3.9
299.12820	1.3
300.02914	1.2
310.08444	0.9
311.09280	16.3
311.12585	0.7
312.09683	2.0
314.04309	1.8
315.05234	4.4
323.09027	1.2
325.07294	1.1
325.10748	1.0
328.09543	8.7
340.09546	25.9
341.09949	2.1
343.11874	100.0
344.12189	6.6
355.11868	58.9
355.18414	0.9
356.12140	4.8
357.09857	2.3
373.12946	12.6
374.13599	0.8
519.11310	2.2
519.18854	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1876
Annotation	Pinoresinol O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.34137	2.2
53.47949	2.3
55.01871	5.5
57.03445	3.9
59.01384	92.4
61.98563	2.5
61.98830	30.1
64.04768	2.1
65.62049	2.4
69.03430	2.7
71.01389	53.2
72.99305	3.2
73.02955	16.2
81.19400	2.5
83.01376	8.9
83.53168	2.2
85.02964	21.2
87.00869	5.1
87.04473	3.5
89.02454	41.8
92.22256	2.6
95.01406	3.0
97.02945	3.5
99.00855	4.4
101.02450	51.9
103.03984	6.9
109.02946	4.0
113.02466	15.6
118.65547	2.5
119.03510	11.2
121.02969	24.0
122.03709	3.9
123.04469	3.4
125.02504	13.1
131.03503	10.3
135.04494	8.8
137.02443	2.7
143.03470	8.5
145.05064	4.2
149.04575	6.4
161.04533	4.7
163.03970	7.1
163.06146	29.9
164.04852	2.9
165.09233	93.9
166.09605	3.8
174.15149	2.5
179.05675	3.4
184.08893	2.4
185.65678	2.2
191.05643	3.0
205.07100	11.5
210.94028	2.6
235.93230	2.5
278.20572	2.7
281.07816	2.5
293.08801	8.3
297.11475	3.1
325.10864	7.0
339.12457	4.5
340.13470	3.4
342.11157	36.8
343.11539	5.6
357.13480	81.7
358.13708	8.6
383.14981	10.3
459.22870	12.7
491.20987	2.9
519.18744	100.0
520.19250	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1874
Annotation	Tetracentronside B
Peak:m/z	Relative Intensity
54.98895	1.4
55.01887	2.0
55.34960	1.3
56.39797	1.5
58.00593	4.8
59.01382	100.0
71.01388	64.5
72.99309	5.6
73.02943	6.0
83.01411	2.6
85.02962	13.7
87.00883	5.1
88.91682	1.3
89.02454	72.2
89.95936	1.5
95.01408	4.3
97.03016	2.0
99.00918	2.8
101.02454	45.4
101.03133	2.5
102.02803	1.8
108.02187	16.0
109.03011	1.7
113.02467	28.8
118.68980	1.4
119.03510	35.6
123.00893	1.6
123.04541	15.4
125.02497	2.5
131.03510	8.9
143.03535	5.5
149.04529	5.6
161.04591	7.6
161.06024	3.1
162.06892	3.2
165.09225	3.8
174.06866	8.8
179.05679	12.1
188.04836	4.7
189.05565	4.1
189.09233	9.3
191.05647	2.9
203.07158	7.0
274.67413	1.7
312.09921	2.3
324.09854	2.1
327.12381	29.3
328.12497	2.5
339.12427	20.3
357.13623	3.2
358.26932	1.8
417.47772	1.5
459.22159	2.1
519.18835	9.2
519.31647	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22798	0.6
59.01365	1.6
61.98829	0.7
71.01382	1.0
79.49010	0.6
85.02946	1.0
89.02460	0.7
97.44504	0.5
98.21813	1.2
98.27334	0.5
101.02453	0.6
106.32720	0.5
107.05056	0.9
108.02159	1.0
109.02975	1.0
117.03469	0.6
121.02941	0.9
123.04504	1.2
135.04520	12.1
145.02968	4.0
146.03738	0.8
147.04497	1.5
149.06105	2.0
158.72217	0.5
159.04552	0.7
163.04047	0.9
166.06357	0.7
179.07143	3.1
180.07930	41.6
181.08231	1.5
194.05815	1.3
195.10260	6.5
203.07083	0.6
208.07402	11.4
209.06084	1.5
212.06879	0.7
220.05418	0.5
222.08838	0.9
223.09764	95.9
224.10123	4.3
225.05589	0.7
226.08478	0.7
233.06102	1.4
236.04807	0.9
237.05545	3.1
237.11333	2.0
238.06383	2.6
239.07092	1.0
248.04955	0.8
249.05519	1.4
251.07198	1.2
252.07973	2.2
253.05092	1.5
254.05925	0.6
261.05658	3.1
262.06345	1.4
264.04324	1.1
265.05026	2.3
265.08524	0.6
266.05756	3.3
267.06708	2.6
268.07367	0.7
270.05325	0.9
273.05585	1.3
276.04263	0.7
277.05139	2.7
277.08487	0.5
278.05743	1.0
279.06601	1.9
280.07376	3.3
281.08240	3.9
282.09018	1.6
283.09799	1.4
288.04181	0.9
289.05011	4.7
290.05783	2.2
291.06442	0.7
293.08087	1.1
295.09918	0.6
296.10373	0.8
297.11359	0.7
298.08444	0.8
305.08252	1.6
305.15210	0.5
309.07779	1.3
310.08597	2.1
311.09464	0.6
320.10449	1.1
321.11267	1.0
324.10059	2.4
325.10870	4.9
327.06747	0.6
327.10364	1.2
339.12399	2.4
340.07172	0.8
341.07996	0.9
343.09863	1.5
353.08121	0.7
354.08890	1.0
355.09708	1.4
356.06705	1.4
357.07526	1.3
357.11343	0.7
365.07913	0.8
368.12894	0.6
369.07437	0.8
369.11572	0.8
370.12305	0.7
371.08868	2.7
371.12939	1.5
381.07498	0.8
382.08231	0.9
383.09122	1.3
383.14859	5.6
384.14526	0.6
385.10938	1.4
387.12408	1.2
388.13254	2.0
397.10977	0.7
398.11667	1.4
399.07959	1.1
399.12674	4.9
400.13037	1.9
410.11472	1.0
411.12610	1.9
412.13354	0.9
413.14316	1.2
414.10995	1.5
415.11432	2.5
416.12637	4.8
417.13052	0.7
423.12204	0.8
426.11124	1.9
427.11334	2.9
428.12503	5.0
429.13358	4.9
431.14987	4.1
438.11230	0.9
439.11780	1.8
440.12720	0.8
441.13452	4.1
442.14008	2.2
443.15213	8.9
444.11694	9.9
445.12436	1.2
446.17621	0.7
453.13354	1.5
454.14774	0.7
455.15332	2.5
456.11258	3.7
457.16922	2.7
458.17380	1.8
459.14420	41.8
460.14816	5.0
461.16150	0.7
469.16556	1.6
470.17181	1.6
471.14380	18.2
472.14948	1.7
474.16858	23.6
474.23608	1.2
475.17401	2.9
476.18365	0.8
485.16058	2.8
486.16855	18.2
487.17184	2.2
489.19211	100.0
490.19528	9.5
491.21118	3.0
501.19211	40.2
502.19739	4.7
504.17929	1.5
519.20233	30.8
519.32050	2.4
520.20593	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.3
57.03453	2.7
58.00583	2.1
59.01383	100.0
60.24810	2.1
61.98842	10.6
69.03468	4.1
69.21542	16.7
71.01391	87.4
72.99303	3.2
73.02955	8.7
75.00868	2.8
78.95918	8.4
81.03452	2.9
83.01389	5.7
85.02950	14.2
87.00903	3.6
89.02451	86.7
93.03464	4.2
95.01395	2.5
96.76029	2.5
96.96033	30.1
96.96970	17.6
97.02975	6.0
98.22540	4.1
99.00911	3.9
101.02458	28.0
113.02473	16.3
119.03537	4.5
125.02454	36.1
131.03506	22.2
136.01665	2.6
143.03508	3.3
148.63921	1.9
149.04597	25.1
151.04001	2.9
159.44504	1.9
161.04611	12.7
165.09239	31.7
166.09624	3.3
182.25946	2.1
191.05637	14.0
192.04175	2.4
207.06633	6.6
218.50542	2.1
230.97046	2.2
233.06728	4.8
293.08832	37.3
294.08954	5.2
321.11237	4.1
327.14639	4.3
339.12650	2.9
357.13330	8.2
387.20020	6.1
519.18378	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25979	1.4
53.75410	1.7
55.01868	1.6
58.00600	1.7
58.35198	1.8
58.99606	9.0
59.01383	50.9
60.27151	1.8
61.98814	3.7
69.04803	5.2
69.05232	7.8
69.42891	1.9
71.01383	34.2
72.99287	2.7
73.02940	5.8
83.01411	2.8
85.02957	7.1
87.00861	9.6
88.52673	1.7
89.02455	43.0
97.02975	3.6
99.00869	3.1
101.02452	21.7
102.97958	3.4
102.98607	47.0
108.02171	5.1
113.02467	8.5
119.03506	5.5
120.05179	1.5
121.10252	5.9
123.04578	3.7
125.02473	8.1
131.03525	18.7
141.07480	2.5
143.03502	3.5
144.94756	1.7
145.76967	1.6
149.04579	17.3
161.04572	4.5
163.06114	7.4
163.07504	2.2
165.09218	100.0
166.09590	4.1
172.62611	1.6
179.05609	2.0
191.05640	7.0
203.86522	1.6
249.06038	4.0
254.84897	1.6
283.04974	44.4
293.08762	6.3
299.26776	1.7
313.16696	3.5
327.12424	2.9
357.13416	4.8
361.09781	2.6
383.15021	2.4
391.28162	1.8
431.54114	1.6
459.22244	6.5
489.18896	3.7
519.22485	5.7
519.31854	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01827	1.2
55.41127	1.6
57.65895	1.3
59.01382	53.5
69.44337	6.9
71.01387	23.0
72.99327	2.0
73.02966	6.3
85.02947	6.1
87.00867	2.8
89.02453	25.9
89.02969	2.0
97.03000	1.6
98.21856	2.7
101.02441	18.6
103.04011	2.0
113.02441	5.2
115.04018	1.8
119.03522	4.7
125.02410	6.4
131.03471	11.0
143.03555	3.9
149.04559	5.8
161.04636	2.0
163.06157	10.9
165.09216	100.0
166.09528	4.0
191.05589	3.8
193.81879	1.5
205.07121	6.7
293.08896	7.0
293.39102	1.4
301.05920	1.3
357.13593	2.6
380.26804	1.5
459.23172	7.1
519.31921	1.9
536.59344	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2449
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
55.01876	4.2
57.03452	5.6
58.00605	2.4
59.01384	53.4
60.01730	0.6
65.98450	0.6
69.03465	1.9
69.25145	3.2
71.01386	76.7
71.05015	3.0
71.15572	0.4
72.01717	0.7
72.99317	2.3
73.02954	17.2
75.00881	1.4
81.03455	1.8
83.01393	6.9
85.02958	26.8
87.00888	3.4
89.02451	40.9
95.01402	4.3
95.05028	1.5
97.02959	5.8
99.00895	9.5
99.01546	0.5
99.04518	0.7
101.02452	40.3
102.02781	0.7
108.02190	1.1
109.02971	0.6
109.06584	1.4
109.15533	0.4
111.00920	0.6
111.04536	1.9
113.02457	27.7
113.06107	0.6
116.12627	0.4
119.03513	6.6
119.19548	0.4
121.06556	0.4
122.03799	0.6
123.04543	1.8
123.08193	1.2
125.02454	8.9
125.06103	1.0
129.01958	1.8
131.03516	15.3
133.02449	0.5
136.01668	1.0
136.05293	0.6
137.06094	0.6
137.09740	1.7
138.06877	23.3
143.03490	7.2
149.04564	6.7
149.09763	0.6
151.04037	1.6
151.07680	0.5
153.09225	62.5
154.09595	1.9
155.10732	0.5
159.03023	5.6
161.04570	44.9
162.04915	0.6
163.11331	0.9
165.12869	1.6
173.04565	1.0
179.05620	4.9
191.05630	5.3
205.03607	0.8
207.13921	6.2
225.14973	100.0
226.15332	5.4
228.81622	0.5
233.06747	1.7
279.43640	0.4
293.08801	3.2
312.06662	0.4
350.75055	0.5
357.13489	1.4
387.20270	72.1
388.20663	5.8
393.02744	0.5
431.19138	0.7
519.24536	22.8
520.14746	0.9
520.24689	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63388	1.1
55.01884	1.9
57.03446	1.3
58.00583	3.7
59.01381	100.0
61.98837	2.3
69.18017	2.4
69.18427	5.7
71.01386	57.0
72.01714	1.0
72.99314	5.4
73.02939	5.7
83.01383	3.4
85.02957	14.8
87.00862	5.6
87.89812	0.8
89.02448	76.2
90.02792	1.3
93.03470	2.2
95.01397	4.1
99.00883	2.7
101.02448	41.4
108.56511	0.9
111.20501	0.8
113.02456	23.7
117.05566	1.2
119.03514	30.8
121.02985	1.8
123.99179	0.9
124.15923	0.8
125.02425	2.3
131.03517	17.6
133.05045	1.0
134.03629	1.0
135.98349	2.7
143.03520	5.9
149.04559	12.9
157.25757	0.9
159.04565	1.5
161.04605	8.1
161.05916	1.4
173.04561	2.6
174.06851	6.1
175.07642	1.5
179.05623	14.1
185.55907	1.3
188.04817	1.3
189.09235	6.1
191.05627	6.0
191.18683	0.9
324.10214	1.1
327.12354	3.7
327.18231	6.5
327.25464	1.6
339.12399	13.8
339.25345	1.6
357.26361	3.9
459.22238	6.9
519.19073	4.7
519.31812	24.0
520.32257	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.2
59.01383	28.1
61.98836	0.9
69.03465	0.6
69.25009	1.1
69.25421	2.4
71.01386	16.1
72.99310	1.4
73.02947	6.8
78.35281	0.6
83.01398	2.3
85.02963	6.5
87.00883	2.3
87.04543	0.6
89.02457	8.7
95.01412	1.0
95.15794	0.5
97.02966	1.8
98.22440	1.3
99.00912	1.3
101.02448	13.6
103.04023	3.5
109.06633	1.0
113.02446	3.5
115.04024	0.6
119.03523	2.6
123.51939	0.6
125.02439	1.0
127.11256	0.6
131.03503	2.2
137.06140	1.0
143.03482	2.2
145.05055	1.1
161.04590	1.4
163.06146	13.0
165.09259	0.9
165.12883	0.7
171.10350	0.7
191.05627	2.3
205.07156	3.6
265.09375	0.7
292.54059	0.6
297.24323	0.7
301.34967	0.6
309.24405	3.7
321.24368	0.6
327.18176	1.3
327.25470	7.5
331.02521	0.6
339.25375	10.3
340.25510	1.0
357.13736	0.8
357.26483	21.5
358.26941	1.6
421.22113	0.7
489.30872	1.0
501.30267	1.0
519.31781	100.0
520.32172	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	39.7
69.14098	19.1
69.14509	71.3
83.04977	9.4
113.02428	10.9
122.76587	8.2
231.69260	10.4
519.25201	14.3
519.33136	100.0
520.33484	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
77.68844	10.0
78.95921	59.1
102.52885	9.8
121.02982	19.9
152.99591	100.0
433.23657	35.6
437.30759	25.3
479.02359	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98567	1.3
59.01372	2.3
69.11090	14.2
78.95901	2.5
95.52082	1.6
96.78045	1.4
98.47701	1.4
110.89567	1.5
121.02962	43.2
126.57655	1.4
136.90352	1.2
152.99533	2.4
159.78044	1.4
304.37900	1.5
329.62469	1.6
381.28049	7.7
397.12845	3.5
483.31213	100.0
484.31445	9.7
519.16711	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.1
57.76782	1.4
59.01381	64.5
61.98825	6.6
62.88658	1.3
69.03466	11.8
71.01374	6.8
71.31844	1.9
83.05036	2.2
85.02944	3.3
87.00851	2.6
89.02442	17.6
97.02954	100.0
99.04528	1.8
126.03259	6.2
127.04037	2.5
161.06163	1.7
210.73030	1.6
369.49258	1.5
383.22845	1.9
399.28937	2.2
401.23303	19.6
402.23532	2.4
417.29913	1.9
429.30023	3.2
457.32968	2.1
519.25702	2.4
519.33295	61.3
520.33270	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.0
57.03459	2.5
58.00587	1.3
58.43954	0.5
59.01385	26.0
60.17910	0.5
69.03461	0.5
71.01389	37.5
72.01265	0.4
72.99300	1.3
73.02946	9.1
74.84354	0.5
75.00883	1.1
78.92303	0.5
83.01389	4.6
85.02953	14.0
87.00889	2.2
89.02454	10.5
95.01393	2.4
97.02961	0.8
99.00886	4.1
101.02453	21.7
113.02459	13.2
119.03506	3.6
125.02514	0.8
131.03511	0.4
141.12875	0.5
143.03479	0.6
159.02992	2.8
161.04567	8.9
185.11844	1.8
228.05368	0.5
285.93509	0.5
297.24359	1.2
309.11307	1.1
309.24359	2.2
321.24368	0.5
327.25467	7.5
327.29199	0.9
339.25424	7.2
357.13632	2.1
357.26495	18.4
358.26944	1.4
489.30798	2.7
501.30811	1.3
519.31775	100.0
520.32141	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20707	0.5
51.39553	0.5
55.01883	1.0
57.66618	0.5
58.00588	0.8
59.01386	13.3
69.29758	0.5
69.40431	3.6
71.01382	8.9
72.99294	1.1
73.02941	1.7
78.29068	0.4
83.01383	0.7
85.02950	2.4
87.00906	0.9
89.02444	4.4
92.46708	0.5
95.01395	0.6
98.21895	1.0
101.02451	4.9
113.02454	2.2
119.03474	1.4
171.10301	0.6
182.71964	0.5
191.05646	0.6
191.42755	0.5
273.50867	0.5
297.24307	0.7
309.24323	3.7
312.25800	0.5
321.24435	0.8
325.23792	0.7
327.25439	7.9
339.25415	11.6
340.25793	0.8
357.26483	22.7
358.26895	2.1
489.30542	1.0
501.31006	0.6
519.31763	100.0
520.32141	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37390	0.4
59.01377	1.7
61.98834	100.0
69.11351	2.8
69.11764	0.8
71.01389	1.0
89.02466	1.5
100.47123	0.5
101.02499	0.9
117.20334	0.5
137.02451	0.6
144.87311	0.5
152.81708	0.5
283.58780	0.5
311.09357	0.8
341.14011	0.5
369.71594	0.6
468.36856	0.4
505.18018	0.6
520.21619	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78493	0.4
57.03455	0.6
59.01395	1.0
61.98833	100.0
66.59182	0.3
71.01356	0.5
73.02981	0.5
87.00890	0.7
95.22467	0.4
97.02954	0.5
103.96465	0.4
109.64685	0.3
115.04051	0.9
116.02193	0.4
118.54281	0.4
124.01707	0.9
139.04033	1.2
205.01370	0.4
250.07208	0.4
330.73666	0.4
382.28531	0.8
404.28876	0.4
458.33740	0.7
459.22260	0.5
477.22906	0.5
484.31442	0.5
502.32764	1.6
520.33539	6.6
521.21832	1.0
521.34021	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19382	30.9
62.17394	29.0
74.19122	28.7
118.26411	31.0
121.02975	61.9
140.08221	32.1
167.16249	29.4
290.85019	36.3
399.14392	87.5
477.26633	57.1
520.36902	100.0
537.27893	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33391	10.0
51.94959	10.5
55.00905	10.2
69.19253	100.0
70.26437	10.2
70.90358	10.3
78.97763	11.4
86.97095	10.6
98.14788	10.3
107.55936	10.2
111.15689	10.9
152.99588	38.4
204.11392	11.0
219.16170	11.2
239.43840	11.2
249.66164	12.3
338.58163	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01433	3.0
59.39781	2.7
61.98835	24.0
72.57108	3.0
78.91916	3.3
100.11784	3.6
121.02973	12.2
125.69875	3.6
139.39935	2.8
151.40457	3.3
160.84270	6.5
227.70502	3.9
227.72696	3.1
409.60394	3.7
477.26505	100.0
478.26709	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01849	18.4
69.06415	55.7
69.06823	100.0
71.01375	29.4
71.89376	18.1
76.11075	17.2
85.02938	27.3
89.02467	21.6
98.21712	39.4
98.22404	66.2
101.02425	25.1
113.02464	26.0
125.63228	16.8
155.16348	17.0
161.04649	24.5
174.98997	16.0
191.05591	53.3
209.11858	46.1
277.13364	18.5
358.27011	20.2
458.50500	22.6
472.88751	18.1
477.28302	36.0
504.21387	33.8
504.71826	23.1
510.26868	19.2
520.32214	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22507	6.9
56.26590	8.4
57.03456	14.9
59.01386	55.9
61.98825	18.5
69.03477	11.3
70.99374	8.0
71.01391	74.9
71.05006	7.1
71.31479	11.0
73.02953	38.1
83.01393	23.2
85.02975	39.0
87.00902	17.9
89.02447	18.5
93.03432	10.1
93.07117	7.4
95.01462	9.4
98.22317	10.3
99.00902	16.9
99.04556	14.5
101.02443	72.9
113.02454	31.2
133.03012	12.2
135.04559	9.8
146.46729	6.9
159.03020	11.4
161.04599	44.1
173.04434	8.2
175.11958	7.3
191.05478	18.4
209.11871	27.2
211.13348	11.2
241.88762	10.1
303.72729	8.6
375.27551	10.4
376.27802	24.3
462.21399	38.1
477.28540	100.0
496.81250	9.0
503.26599	17.7
520.32941	71.7
521.34186	13.4
542.55328	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.7
60.99312	13.8
61.98818	1.2
69.48976	7.3
71.01385	3.5
73.02963	1.6
85.02992	2.0
88.98812	100.0
89.02467	2.9
101.02442	1.5
161.04523	1.5
173.45184	1.1
227.03403	1.5
285.04163	1.3
467.22650	1.2
538.59094	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80882	1.7
61.98841	2.6
71.32310	2.2
71.37544	1.5
121.02972	100.0
123.55326	1.6
125.81158	1.5
126.07021	1.8
134.03766	3.2
162.06917	2.0
309.07791	1.8
309.61835	1.8
337.07227	2.7
338.08160	8.9
339.08710	8.7
353.10303	5.2
369.09903	2.5
384.12280	5.0
399.09967	2.1
399.14621	30.8
400.14801	2.7
485.32785	4.2
521.21814	3.6
521.31415	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50220	0.4
70.82749	0.6
70.83099	1.1
76.53457	0.4
77.62278	0.4
121.02967	100.0
122.03299	2.4
147.01709	0.5
149.02443	0.5
150.06894	0.9
162.06883	1.4
164.04799	0.9
177.09198	0.6
284.35153	0.4
295.06015	0.5
343.21356	1.4
369.09671	2.1
384.12183	0.9
399.14465	3.3
521.30609	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98972	0.9
57.03471	1.3
61.98821	1.0
69.03592	8.6
70.44526	0.9
90.10046	0.8
102.34209	0.9
121.02968	82.7
122.03295	2.2
123.09938	0.9
162.83907	1.4
179.07225	1.2
225.05536	1.1
236.04727	1.0
239.07176	1.1
241.04819	1.2
249.05603	2.6
251.03523	3.1
252.04268	2.0
253.05069	1.2
266.05844	2.3
267.06601	4.2
279.03027	8.6
280.03790	20.9
281.04474	2.5
281.08145	2.4
282.08783	1.4
283.06113	2.3
293.04480	1.4
294.05191	2.9
295.06122	40.2
296.06549	2.8
297.07404	1.3
299.09229	1.7
307.06354	1.5
307.09732	2.2
309.07751	10.3
310.08395	6.1
321.04175	1.3
322.04880	1.6
323.05515	1.7
324.06488	1.0
324.10089	2.0
325.07101	1.0
325.10855	16.9
326.11343	1.4
327.05084	1.8
337.07217	12.2
337.10815	1.7
338.07788	9.2
339.08649	1.8
341.10315	6.1
342.07397	13.7
343.07648	1.4
352.09598	13.1
353.10187	4.2
367.11807	5.8
369.09766	35.6
370.10059	2.4
384.12186	16.1
385.12561	1.5
399.14514	100.0
400.14832	10.7
466.12640	1.2
484.36609	1.0
521.18188	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50812	0.5
52.60706	0.6
57.73096	0.6
60.38273	0.5
68.57413	0.6
69.11285	2.2
69.11707	4.1
77.56262	0.5
87.58028	0.6
98.21830	1.5
114.60404	0.6
121.02972	100.0
122.03316	2.4
143.57545	0.6
144.31723	0.6
144.54755	0.6
274.25146	0.6
279.06519	0.8
281.07993	0.7
285.04175	0.9
289.08768	1.6
294.05557	0.7
301.07419	0.7
307.06342	1.2
307.09775	12.4
309.07907	3.3
319.06100	1.0
322.08408	1.1
324.06549	0.9
324.10077	1.2
337.07199	3.6
337.10928	14.3
338.11261	1.1
339.12378	1.2
351.09131	1.1
352.09604	2.3
353.10315	1.6
354.10992	1.0
367.11710	3.7
369.13574	1.6
399.14651	2.6
485.25204	1.5
521.18127	4.0
521.31317	1.3
522.18829	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59999	1.1
61.98837	1.1
64.18642	0.9
69.94846	3.6
76.87873	1.0
94.84955	0.9
96.96014	1.0
98.21871	1.4
99.04525	1.2
108.02197	0.9
121.02963	100.0
121.63103	0.9
122.03281	1.9
127.96895	1.0
160.84267	1.2
162.83920	1.1
184.95389	0.9
198.21132	0.9
235.07352	1.0
266.05881	1.3
267.06564	2.5
279.02869	1.0
280.03757	4.2
281.04578	1.4
295.06076	12.3
296.06262	1.4
299.09314	3.3
311.05511	1.1
323.05490	1.1
326.68198	1.0
327.08823	1.3
337.06931	1.0
338.07880	4.2
341.10312	2.8
353.10043	2.0
369.09787	38.3
370.09802	2.8
384.12131	16.6
385.12332	1.0
399.09241	2.3
399.14487	41.3
400.14948	2.8
506.16049	1.2
521.18188	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71500	0.7
60.06013	0.7
69.11693	2.0
69.12093	5.4
85.06622	1.0
102.65342	0.8
121.02966	100.0
122.03322	2.6
124.01679	1.6
152.99635	0.9
166.41273	1.1
244.15857	0.9
263.07153	0.9
265.42093	0.9
279.10532	1.1
281.04800	0.7
291.01401	0.7
295.05911	1.0
307.06192	5.3
307.09781	19.7
308.10156	1.5
309.07663	2.5
322.08524	3.5
323.05679	2.1
324.06320	2.0
337.07117	3.0
337.10776	17.2
338.11258	1.2
339.08841	1.3
351.08527	1.2
352.09628	1.5
353.10153	1.7
367.12082	3.7
384.12277	1.0
399.14722	4.0
473.05780	1.1
486.06827	0.8
521.28711	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28898	2.0
54.25778	2.0
57.03435	2.7
58.00588	4.7
59.01384	100.0
69.03454	6.0
69.51615	2.7
71.01390	59.3
71.29008	3.3
72.99313	5.7
73.02953	26.1
76.59051	2.2
81.03454	5.1
83.01400	6.4
85.02962	25.6
85.64957	2.1
87.00890	2.9
89.02451	35.1
95.01403	4.8
97.02960	10.6
97.47634	2.4
101.02450	42.1
103.04024	36.4
109.02932	6.8
119.03529	15.0
123.00900	20.9
123.04485	3.9
125.02455	47.7
127.04018	3.9
137.02435	3.7
138.03264	21.5
142.06644	3.6
143.03542	3.8
145.05031	5.9
150.48073	2.3
151.04056	3.1
151.91771	2.1
153.05586	6.4
158.13135	2.8
161.02394	3.2
163.06131	34.8
170.06122	19.4
188.07166	17.3
189.07558	5.1
197.11226	2.2
232.06154	28.0
233.06537	11.3
247.08229	11.2
307.10330	28.7
344.12573	2.9
359.11237	4.8
359.15201	4.9
544.98590	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	2.9
59.01383	100.0
61.03258	2.7
61.65225	2.5
61.98832	2.9
69.04372	24.7
69.04778	3.7
71.01385	65.5
72.99331	4.3
83.01389	2.8
85.02955	9.4
87.00900	5.3
89.02452	76.1
95.01430	2.6
99.06984	2.9
101.02444	35.6
109.04135	2.9
113.02467	20.0
119.03503	32.7
131.03542	6.1
136.01660	8.8
143.03569	5.0
145.02940	3.2
151.04016	11.0
161.04556	6.5
162.43616	2.5
163.31958	2.5
171.68312	2.4
179.05647	8.0
189.05583	22.2
192.51265	2.6
203.07155	3.6
219.16850	3.2
224.04823	3.8
283.09778	22.8
311.09195	47.2
311.12628	3.8
325.10822	6.3
326.11609	31.0
327.12134	3.2
341.13965	86.7
342.14404	7.6
389.21976	5.2
501.77313	3.3
521.20276	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87578	0.9
54.00522	0.8
55.01881	1.7
57.03437	2.0
58.00582	1.2
59.01382	37.8
59.99748	1.0
69.03094	2.5
69.03500	7.0
69.82735	0.8
71.01384	24.0
71.73022	0.9
72.99313	1.8
73.02940	3.8
83.01383	3.0
85.02953	8.4
87.00871	1.3
89.02451	11.9
95.01405	1.9
99.00897	1.7
101.02451	15.4
101.14039	0.8
108.02147	1.0
109.02983	9.7
113.02473	8.0
119.03506	5.9
137.12053	0.8
158.94791	0.9
159.03117	1.2
159.04504	4.4
170.45731	0.9
172.05389	1.4
173.06123	2.9
179.05496	1.1
187.07738	1.1
189.05563	3.7
190.06329	1.0
203.07152	1.7
210.55904	1.0
213.05498	1.0
225.05612	1.2
241.05081	7.8
253.05109	1.6
255.06595	4.7
267.06702	1.5
268.07510	1.6
279.06491	0.9
281.08105	4.6
283.09689	1.5
295.09674	3.0
298.08197	1.4
299.09286	4.1
311.09271	7.0
313.10730	8.6
326.11713	2.5
327.12158	1.3
329.10229	3.8
341.13901	4.8
343.11914	1.3
344.12643	24.4
344.16599	1.6
345.13306	1.8
359.14999	61.5
360.15280	5.8
421.61786	1.0
447.43185	1.1
478.09909	1.1
521.20313	100.0
522.20642	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89845	0.9
55.01882	1.3
57.88050	0.8
58.00591	5.1
59.01383	100.0
62.64598	0.9
69.41420	4.1
71.01387	56.7
72.01727	0.9
72.99316	5.1
73.02947	1.2
75.00892	1.0
83.01391	2.2
85.02965	9.0
86.44139	0.8
87.00875	3.2
89.02451	80.8
89.78202	0.9
90.02801	1.4
95.01407	4.3
95.01936	0.9
101.02454	29.6
109.02982	1.1
113.02456	25.3
119.03513	36.8
121.02948	3.0
123.04546	2.0
131.03510	3.0
137.02541	0.9
143.03534	5.8
149.04552	1.9
151.03975	1.3
159.04483	2.8
160.05331	6.9
161.04556	5.9
161.05832	1.6
172.05305	3.7
173.06073	1.9
175.07631	2.4
179.05632	11.3
186.06798	1.1
187.07654	1.9
189.05539	6.0
190.06320	7.4
205.08624	4.4
281.08344	1.3
296.10626	3.8
311.12842	5.0
329.13852	1.9
341.10077	1.9
341.13950	25.7
342.14297	2.1
389.16449	1.6
394.30515	1.0
521.20209	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55433	0.6
55.01877	2.8
57.03438	1.3
58.00574	1.1
59.01384	37.8
64.75345	0.7
71.01391	24.9
72.99308	1.5
73.02957	4.2
83.01398	2.3
85.02959	8.6
87.00883	1.9
89.02452	14.1
95.01382	1.6
99.00899	1.4
101.02456	17.7
108.02204	1.1
108.05006	0.6
108.05809	0.6
109.02965	10.1
110.24262	0.5
113.02460	6.8
119.03522	6.6
123.04501	1.3
143.03516	1.0
149.04533	0.6
159.04485	4.3
172.05309	1.2
173.06073	4.0
189.05623	2.9
191.07097	1.8
191.36575	0.6
203.07066	1.1
211.98827	0.6
217.08676	0.6
225.05537	0.8
240.04289	0.8
241.05075	6.4
253.05110	1.7
255.06627	3.5
268.07388	0.8
269.08066	1.0
281.08295	2.8
283.09775	1.1
295.09808	2.7
296.10571	1.9
298.08548	0.9
299.09177	3.9
302.56146	0.7
311.09219	5.3
312.09958	1.0
313.10828	7.3
326.11615	2.7
329.10431	3.0
341.13940	5.4
343.12204	1.5
344.12631	24.9
345.13168	2.7
359.10330	1.4
359.15021	66.6
360.15366	5.1
521.20325	100.0
522.20612	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2036
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01870	3.3
57.03437	3.2
58.00589	2.8
59.01385	38.2
61.98830	2.2
69.03470	0.8
71.01388	36.5
71.05024	1.2
71.31928	1.4
72.99311	3.1
73.02645	0.8
73.02958	9.2
81.55704	0.9
83.01395	5.3
85.02956	14.7
87.00875	4.8
88.98820	1.1
89.02454	18.6
91.01898	0.9
93.03480	2.5
95.01401	3.1
96.07217	1.0
97.02917	1.2
99.00886	4.5
101.02453	25.2
108.02178	2.0
109.02964	7.2
113.02465	13.7
119.03503	8.7
121.02968	27.1
122.03748	1.8
123.04526	3.4
125.02470	2.1
130.99236	0.8
131.03485	1.7
134.03732	0.8
135.00934	0.9
135.04558	1.4
137.02463	2.0
143.03502	1.8
147.04529	4.3
149.04622	1.0
153.01935	2.0
161.04593	3.5
161.06018	1.3
165.05585	22.4
166.05864	1.1
167.10814	2.7
173.04512	1.0
179.05710	1.8
179.07172	4.9
195.58110	0.9
202.06403	1.2
221.08133	1.5
223.54977	0.8
296.10562	1.2
297.11072	1.1
311.09366	1.9
311.12805	1.0
313.10721	2.7
319.03146	0.9
326.11639	2.6
341.14078	4.1
344.12671	19.0
345.13263	2.5
347.18445	0.9
359.15021	100.0
360.15405	9.3
389.22043	2.1
468.14685	0.9
521.20331	65.2
521.29242	5.1
521.33392	5.5
522.20642	5.5
522.33759	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	30.3
59.84994	2.9
69.01897	15.0
69.02310	10.8
71.01387	23.9
73.02945	5.5
83.01389	3.8
85.02943	7.2
89.02426	7.5
95.01385	2.7
97.91673	2.4
98.22591	3.3
100.14839	2.7
101.02438	13.6
108.02183	99.3
113.02479	5.8
121.02905	3.4
123.00888	8.4
123.04537	79.0
136.01607	4.4
151.04019	6.5
189.05505	3.5
190.06424	2.6
220.07446	9.3
221.08215	5.5
221.24500	2.5
227.07130	7.7
235.09764	38.9
268.07339	3.2
269.07953	2.9
281.08200	10.3
282.08917	6.9
283.09766	6.8
286.71527	2.5
293.08279	5.2
295.09760	4.2
299.09314	2.9
311.09271	6.0
312.09827	3.6
314.11688	9.5
315.12244	4.9
326.11502	9.9
327.12384	11.4
329.13858	14.6
341.13766	11.6
343.11404	3.8
344.12292	2.5
355.11874	5.4
359.15009	81.4
360.15430	6.8
461.14813	2.5
476.16687	8.8
488.16806	11.3
491.19275	90.5
492.19485	10.5
503.19266	100.0
504.19479	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2032
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
58.57957	0.5
59.01384	3.7
61.98830	0.6
69.20193	3.4
69.49725	0.5
71.01380	4.2
71.70405	0.5
72.99300	0.8
73.02957	1.1
85.02960	1.9
89.02454	1.9
101.02464	2.6
108.02205	1.1
109.02961	15.5
113.02448	2.0
123.04523	1.3
125.02463	1.8
131.03479	1.0
137.02438	0.7
147.04575	0.6
149.04550	0.6
151.04015	0.7
157.48335	0.5
158.03716	0.6
159.04533	6.8
161.04602	1.8
161.05975	0.7
173.06064	4.9
189.05580	4.8
190.06310	1.1
191.05647	0.7
191.07143	2.9
201.05553	0.7
203.07085	2.3
213.05510	1.0
222.62712	0.5
240.04308	2.4
241.05049	11.3
255.06635	7.8
265.08786	0.9
267.06799	0.7
269.08154	2.2
281.08325	1.1
283.09857	0.7
295.09708	1.4
297.92300	0.5
298.08282	1.0
299.09235	8.5
300.09631	0.7
313.10855	11.1
314.11142	0.7
327.12399	0.9
327.90671	0.6
329.10321	5.2
329.16144	1.4
343.11722	2.5
344.12668	33.7
345.13016	1.8
359.15021	100.0
360.15442	8.0
389.21777	1.0
491.19260	1.0
521.20239	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.1
57.03435	5.9
59.01382	45.7
61.98837	28.7
67.58841	2.3
71.01389	61.3
72.99302	3.7
73.02958	19.8
75.00873	8.2
75.13013	1.6
83.01405	6.1
85.02962	23.2
87.00890	3.3
89.02466	14.4
89.11272	1.6
95.01384	4.2
97.02959	3.4
99.00896	5.8
101.02450	43.0
108.02204	10.7
109.03016	2.1
113.02471	25.6
119.03534	3.3
121.03000	2.3
123.04540	10.7
124.04847	3.2
125.02446	9.4
131.03520	11.0
135.04602	1.9
143.03470	5.1
149.04608	3.6
150.03235	2.0
151.04013	4.1
159.02983	6.1
161.04591	44.8
191.05614	3.2
204.06749	2.0
219.06694	3.1
229.18358	2.5
248.23625	2.2
293.08859	2.3
297.12494	4.2
316.09531	3.3
329.16092	100.0
330.16479	7.3
355.12781	2.9
358.13544	4.4
359.14316	7.0
389.22021	4.2
399.11935	6.0
431.14877	9.6
461.20349	47.5
462.20792	4.8
491.19284	5.9
503.19354	7.9
521.18921	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48997	1.8
55.01867	6.9
57.03447	5.7
58.00594	3.2
59.01383	100.0
60.01696	2.1
62.86641	2.2
69.01333	21.0
70.24533	1.5
71.01389	84.8
72.99299	4.9
73.02950	21.5
75.00884	2.8
83.01396	14.1
83.11258	1.7
85.02960	31.2
87.00868	6.5
89.02451	39.3
93.25053	1.6
95.01383	6.6
95.21135	1.7
97.02953	2.4
98.21741	3.6
99.00909	10.0
101.02452	60.1
101.03121	3.2
108.02190	3.3
109.02939	16.2
113.02462	30.4
119.03500	8.2
123.04542	2.1
125.02444	6.4
131.03508	24.6
137.02371	2.3
143.03497	5.9
147.03368	3.4
149.04521	7.5
151.03905	3.4
159.02998	5.5
159.04492	7.5
161.04567	37.8
167.10828	2.0
173.06081	4.0
179.05640	2.3
189.05617	2.5
190.06358	2.4
191.05609	3.2
194.14426	1.8
241.05074	8.5
243.07799	2.2
243.12434	4.1
255.06670	3.3
281.08472	2.6
293.08597	3.7
295.09851	4.5
299.09210	5.5
311.09302	6.5
313.10825	7.0
314.22595	2.4
326.11542	4.0
327.12598	2.2
329.10101	3.9
329.16089	82.5
330.16470	5.6
341.10266	3.0
341.13977	4.7
344.12662	30.0
345.13297	2.0
359.08557	5.3
359.15036	95.9
360.15375	7.2
389.21796	12.9
461.20282	34.4
462.20334	3.0
521.20245	97.9
522.20557	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12929	1.0
58.00600	1.2
59.01382	48.4
66.67603	1.0
69.03437	1.1
71.01388	26.2
73.02953	3.0
83.01420	1.2
85.02949	3.8
85.69982	1.0
86.84907	1.0
89.02451	36.5
93.30656	1.0
97.02957	2.0
99.04512	1.1
101.02447	10.6
101.03064	1.5
113.02467	4.8
116.75808	0.9
119.03468	1.5
125.02448	14.5
131.03510	16.5
143.03558	1.3
149.04556	15.8
161.04529	1.2
167.10779	100.0
168.11140	2.7
191.05658	7.0
235.50937	1.0
293.08804	11.4
365.20584	1.1
461.20435	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
59.01383	49.2
61.98830	12.8
67.62811	1.4
69.03451	2.8
71.01388	29.7
71.31580	2.4
72.99311	3.6
73.02949	6.6
81.03459	2.7
83.01409	3.2
85.02955	9.8
89.02457	35.5
93.03476	2.2
96.96983	1.8
97.02962	2.3
99.00850	3.5
101.02446	13.7
108.02218	2.5
113.02454	6.7
121.03012	3.0
125.02454	12.9
129.20271	1.6
131.03535	13.7
143.03584	2.0
149.04565	11.2
149.05966	1.9
161.04614	2.8
167.03493	1.6
167.10793	100.0
168.11133	4.4
191.05627	14.3
293.08823	13.5
359.27994	2.6
399.72604	1.6
461.20078	3.2
521.25403	5.3
521.33203	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56870	0.6
57.03456	0.7
58.00600	0.8
59.01383	30.0
61.98825	2.8
69.03455	1.1
71.01388	21.8
72.99306	1.5
73.02940	3.6
78.95899	1.6
81.03487	0.7
83.01360	1.6
85.02950	4.3
89.02456	24.1
96.96030	1.7
96.96973	2.2
97.02946	2.1
98.22035	3.9
99.00896	2.5
101.02457	11.9
113.02464	4.5
119.03487	1.6
125.02455	10.6
129.01958	0.7
131.03506	14.2
137.06194	0.6
140.53389	0.6
143.03511	1.4
143.46350	0.7
149.04572	12.4
154.61647	0.6
161.04591	1.3
162.03241	5.4
165.09166	1.1
167.10785	100.0
168.11133	3.4
177.05574	5.3
178.04482	0.7
191.05632	5.8
208.03006	0.6
233.06618	0.7
249.32034	0.7
257.08105	0.9
293.08783	8.7
315.18161	1.5
317.76898	0.6
341.16092	0.7
359.14792	1.9
359.18723	0.9
435.24512	0.7
461.20447	4.2
521.24780	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81166	0.5
57.03454	1.3
59.01093	1.1
59.01384	19.7
60.92530	0.5
61.98829	1.9
69.03477	0.6
69.27802	3.7
70.28384	0.5
71.01385	14.6
72.81071	0.5
72.99284	1.1
73.02953	3.8
75.00825	0.6
78.95915	0.8
82.95425	0.7
83.01385	1.7
85.02956	6.5
87.00896	1.5
87.25019	0.5
88.98817	0.7
89.02444	11.3
94.80809	0.6
95.01375	0.8
95.05035	0.6
99.00882	1.9
99.04517	0.8
101.02447	8.3
113.02441	4.2
117.05579	0.7
119.03490	1.3
122.06153	1.5
125.02444	2.9
131.03497	6.0
143.03548	1.4
149.04570	3.4
152.07224	1.4
161.04562	4.0
166.73441	0.7
167.10783	100.0
168.11127	3.6
191.05640	3.2
199.74171	0.6
248.22722	0.5
254.71576	0.6
260.87228	0.5
271.17334	1.2
281.09357	1.3
293.08926	5.3
311.09332	1.1
326.11450	0.8
341.13959	0.7
341.23444	0.8
345.11078	4.8
359.15054	2.1
359.24390	2.2
359.28238	0.7
389.21677	4.1
433.22830	1.3
446.17065	1.6
461.20316	4.3
477.15308	1.0
477.24570	1.0
521.14807	1.0
521.23389	9.7
521.31042	4.4
522.18524	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.9
55.91337	1.7
57.03448	2.9
58.00600	2.3
59.01382	100.0
68.60437	1.9
69.03441	3.3
71.01385	59.0
71.30622	1.9
72.99310	2.0
73.02960	11.0
83.01376	5.2
85.02970	18.5
86.00082	14.1
87.00879	4.7
89.02451	35.1
95.01414	3.8
97.02956	3.2
99.00910	7.3
101.02447	35.4
101.73727	2.0
108.02181	2.9
109.03011	1.9
109.06581	3.0
111.00909	2.0
112.11115	1.8
113.02453	17.0
119.03513	6.0
121.02972	4.7
123.04581	2.5
125.02458	3.9
131.03511	24.3
136.01724	2.7
143.03496	3.1
147.04520	2.8
149.04570	19.0
150.03313	3.3
150.79114	2.1
151.04027	5.0
159.03021	4.2
159.04561	5.5
160.05258	14.8
161.04584	20.4
161.06065	5.4
163.04016	4.5
164.04869	2.8
173.06165	2.5
175.07623	13.3
177.05565	4.8
178.06396	5.0
191.05597	13.7
192.08040	2.0
193.12364	3.2
207.00883	2.1
211.13464	3.3
227.16724	2.4
233.06645	2.7
239.12894	36.4
239.15154	3.6
240.13441	2.4
252.15565	1.8
269.08224	6.9
283.09869	3.0
293.08832	7.8
299.09003	2.8
311.09363	7.5
314.11728	10.6
325.52905	2.0
326.11523	4.5
329.14020	55.0
329.16483	16.2
330.14285	6.2
341.13797	11.4
350.42065	1.8
359.15088	8.8
389.16599	2.3
389.21701	10.9
461.20300	32.1
491.19611	7.2
503.19257	7.0
521.25598	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77424	4.2
56.02949	4.8
59.01380	5.6
59.14255	4.7
60.85902	4.4
71.30760	4.4
71.31158	6.5
78.95866	6.1
85.95515	5.8
87.46505	5.1
93.48300	4.4
97.02988	5.1
107.77905	5.3
111.24395	5.3
119.82988	5.4
121.02977	100.0
129.53365	5.0
213.32059	5.4
248.25980	5.4
267.06635	6.6
279.03046	6.5
280.03714	23.4
295.06155	27.4
301.03351	10.8
325.10773	12.0
337.07159	13.6
338.08072	7.4
342.07401	11.6
352.09644	8.3
369.09814	26.6
384.12256	14.0
399.14578	78.2
400.14706	7.2
503.32895	6.0
521.22797	10.6
521.35419	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01992	7.8
69.05696	12.6
69.06033	100.0
74.94081	8.2
96.96041	10.0
121.02941	10.2
152.99580	10.2
172.84436	8.5
226.27007	9.9
300.02820	12.3
399.60083	10.3
521.34534	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78338	1.8
55.01882	4.3
57.03442	3.6
58.00583	2.4
59.01382	92.5
61.98824	7.2
68.99832	2.0
70.37050	1.8
71.01385	77.5
71.32235	2.5
72.99309	25.2
73.02954	26.4
75.00861	2.9
81.03472	2.3
81.55285	2.1
82.09702	2.4
83.01398	17.2
83.05029	2.5
85.02953	30.0
87.00880	8.3
89.02453	34.6
93.03473	5.9
95.01378	5.9
97.02946	5.6
98.31329	1.9
99.00874	9.2
101.02451	49.4
102.98599	3.3
103.04038	6.5
109.02947	2.5
113.02458	23.7
119.03535	10.2
120.99612	2.0
121.02962	38.9
125.02487	15.0
131.03523	8.0
137.02425	8.8
143.03506	4.5
145.02960	2.9
149.02390	3.8
149.04547	6.4
150.30605	2.6
159.03075	3.2
159.04498	2.6
161.04613	36.1
163.06107	6.2
165.05571	4.9
167.10797	32.0
173.04633	2.5
178.20110	2.0
179.07091	2.7
187.03961	5.9
191.05612	10.0
205.07027	3.0
227.07101	3.1
239.07066	2.4
249.06113	2.4
255.03120	12.0
265.12811	2.3
267.06747	2.7
268.07462	2.1
271.17322	2.3
273.04025	7.1
282.08786	2.6
283.04965	4.3
283.13306	7.2
293.08810	11.1
299.10123	2.2
315.14764	3.7
315.18130	42.2
345.16986	2.6
359.14746	2.4
359.27823	3.4
461.23975	100.0
462.24121	10.0
491.17105	2.8
503.13928	2.5
506.19400	3.0
521.14197	2.8
521.21661	34.8
521.33075	19.5
522.22131	4.8
548.54034	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.2
57.03460	6.1
58.00597	3.2
59.01384	61.5
69.01861	10.5
69.03466	1.9
69.13535	0.9
71.01389	99.6
71.05035	7.6
72.01754	1.6
72.99308	4.5
73.02953	27.6
75.00881	2.9
83.01389	10.1
85.02956	36.5
86.11819	1.0
87.00893	3.6
87.37381	0.9
89.02457	38.5
93.03475	1.6
95.01398	5.9
95.05035	1.0
97.02968	4.3
98.03732	1.4
99.00881	13.2
101.02454	61.6
102.19901	0.9
109.02959	11.7
111.00912	1.6
113.02460	36.6
115.54960	1.0
119.03510	8.2
123.04598	1.2
123.08155	1.6
124.05347	1.5
125.02440	9.5
129.01984	2.2
131.03514	20.5
131.04471	1.4
132.15038	0.9
137.09689	2.9
139.07669	9.5
143.03525	7.9
149.04591	6.1
153.09219	6.5
155.10794	38.3
156.11206	1.1
159.02997	11.3
159.04535	4.2
161.04573	72.4
162.04936	1.5
173.04752	1.1
173.06096	3.3
179.05602	4.2
189.05589	1.9
191.05624	9.2
191.07106	2.4
197.08208	3.0
203.07195	1.8
207.13858	1.1
207.15855	1.2
209.15405	1.6
227.16539	56.8
228.16862	2.6
233.06648	1.1
240.04361	2.1
241.05067	7.1
255.06761	6.3
267.06754	1.4
269.08206	1.4
299.09213	5.3
313.10840	6.3
329.10214	2.9
329.16309	2.4
343.11853	2.2
344.12680	24.1
344.16611	2.2
345.13226	2.3
359.15027	69.3
360.15375	6.4
389.21826	100.0
390.21973	6.3
433.20663	2.3
461.20456	1.5
517.45227	1.2
521.18756	1.0
521.25922	18.4
522.26233	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11121	0.5
52.93179	0.4
55.01883	6.2
57.03452	4.9
58.00600	2.4
59.01382	43.5
61.98822	2.0
68.99837	0.7
69.03452	1.3
71.01385	86.2
71.30885	0.5
71.31237	0.6
72.01720	1.2
72.99316	3.0
73.02949	28.7
74.75581	0.5
75.00878	1.8
75.19345	0.5
81.03481	0.6
83.01392	11.7
84.02159	0.7
85.02954	42.5
86.00119	0.5
87.00873	3.4
89.02053	0.4
89.02453	16.2
95.01387	6.5
97.02947	3.4
99.00888	12.5
101.02448	63.6
101.52351	0.5
102.02775	0.7
109.02968	1.8
111.00881	1.0
113.02456	34.6
114.02762	0.7
119.03520	3.7
121.02978	0.7
125.02441	5.0
129.01961	1.6
131.03508	34.8
132.03841	0.6
143.03514	6.4
147.04478	0.6
149.04613	2.2
150.03271	0.6
151.04024	1.1
153.09233	1.8
154.09361	0.5
155.10809	2.1
159.03017	10.1
159.04454	1.3
160.05278	2.7
161.04568	70.4
162.04948	1.5
163.03984	1.3
164.04767	0.5
173.04544	0.7
175.07651	2.5
177.05568	0.6
179.05600	1.2
183.13805	0.5
191.05659	1.5
197.08163	1.3
205.03568	2.2
209.02298	0.4
209.15576	0.5
227.16559	5.7
233.06619	0.9
329.10330	0.7
329.13956	8.4
330.14035	0.8
344.12521	0.8
359.15021	4.6
360.15546	0.5
389.21820	100.0
390.22180	8.2
433.20758	1.3
517.67346	0.4
521.26355	6.9
522.26703	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10673	1.7
55.01877	5.5
57.03453	7.5
58.00594	3.1
59.01381	77.8
65.18578	1.5
69.03443	3.1
69.22440	12.3
71.01385	100.0
71.05021	8.4
72.99296	4.6
73.02945	21.8
81.03455	2.8
83.01395	10.8
85.02956	36.4
87.00885	5.8
89.02449	61.5
95.01395	4.1
97.02946	2.0
99.00893	10.1
101.02445	62.5
102.96265	1.5
109.02961	9.2
111.00861	4.9
113.02452	32.3
115.04012	1.9
119.03525	7.1
123.08123	1.8
124.05319	1.6
125.02459	8.5
129.01956	2.8
131.03505	24.4
133.43329	1.3
137.09703	3.1
139.07701	7.3
143.03534	8.4
149.04558	18.9
150.01816	1.4
153.09229	15.9
155.10797	28.7
156.11005	1.8
159.03015	3.9
159.04523	2.0
161.04568	44.5
173.05966	2.1
178.97141	1.9
179.05626	3.5
191.05624	8.7
197.08151	12.2
204.06587	2.2
209.15575	1.9
215.67198	1.4
227.16553	40.8
228.16820	1.6
231.50528	1.4
233.06688	5.9
241.05026	4.9
253.13451	1.7
255.06688	2.5
291.23474	1.4
293.08798	6.1
297.12427	4.5
299.09390	2.3
313.10651	2.7
315.12433	2.6
325.12054	1.7
329.10153	1.8
329.13788	2.3
341.19577	2.9
344.12698	14.2
355.12982	6.3
359.15012	36.0
360.15286	4.7
389.21832	56.8
390.22034	3.5
399.11972	2.1
431.14529	17.2
432.14880	2.3
446.28299	1.5
521.18390	5.8
521.26001	81.6
522.26422	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78338	1.8
55.01882	4.3
57.03442	3.6
58.00583	2.4
59.01382	92.5
61.98824	7.2
68.99832	2.0
70.37050	1.8
71.01385	77.5
71.32235	2.5
72.99309	25.2
73.02954	26.4
75.00861	2.9
81.03472	2.3
81.55285	2.1
82.09702	2.4
83.01398	17.2
83.05029	2.5
85.02953	30.0
87.00880	8.3
89.02453	34.6
93.03473	5.9
95.01378	5.9
97.02946	5.6
98.31329	1.9
99.00874	9.2
101.02451	49.4
102.98599	3.3
103.04038	6.5
109.02947	2.5
113.02458	23.7
119.03535	10.2
120.99612	2.0
121.02962	38.9
125.02487	15.0
131.03523	8.0
137.02425	8.8
143.03506	4.5
145.02960	2.9
149.02390	3.8
149.04547	6.4
150.30605	2.6
159.03075	3.2
159.04498	2.6
161.04613	36.1
163.06107	6.2
165.05571	4.9
167.10797	32.0
173.04633	2.5
178.20110	2.0
179.07091	2.7
187.03961	5.9
191.05612	10.0
205.07027	3.0
227.07101	3.1
239.07066	2.4
249.06113	2.4
255.03120	12.0
265.12811	2.3
267.06747	2.7
268.07462	2.1
271.17322	2.3
273.04025	7.1
282.08786	2.6
283.04965	4.3
283.13306	7.2
293.08810	11.1
299.10123	2.2
315.14764	3.7
315.18130	42.2
345.16986	2.6
359.14746	2.4
359.27823	3.4
461.23975	100.0
462.24121	10.0
491.17105	2.8
503.13928	2.5
506.19400	3.0
521.14197	2.8
521.21661	34.8
521.33075	19.5
522.22131	4.8
548.54034	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2971
Annotation	Lanceolitol A2
Peak:m/z	Relative Intensity
51.06605	0.4
55.01861	1.0
57.03434	1.3
58.00597	1.0
59.01094	0.7
59.01385	12.4
61.98829	1.1
71.01385	10.1
71.31776	0.7
72.99303	1.2
73.02964	2.4
83.01393	2.3
83.57012	0.4
85.02950	4.5
87.00874	0.8
88.98812	1.3
89.02457	2.9
95.01385	0.9
97.02985	0.5
99.00896	1.2
101.02444	8.1
111.00895	0.6
113.02466	3.0
119.03483	0.9
137.02454	0.8
161.04633	0.5
161.25447	0.5
180.13368	0.5
195.17520	0.8
209.19215	1.0
213.22302	0.5
255.02672	0.5
265.21796	1.0
311.22168	1.1
313.23724	0.6
329.23639	1.0
341.23367	3.5
344.12540	1.2
359.15152	1.1
359.24408	4.6
389.21912	1.0
438.58157	0.5
491.28568	4.1
503.28549	1.3
521.29688	100.0
522.30011	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	5.4
69.77032	15.7
78.95924	27.9
79.02508	4.0
90.04499	4.2
96.96957	4.8
124.15302	3.9
152.99611	22.3
192.98839	7.0
209.66478	4.2
243.86667	4.1
246.71175	3.9
343.72046	4.3
395.29437	6.4
418.45117	4.5
421.27524	9.0
431.21854	10.1
441.33704	12.5
485.25491	3.8
485.32678	100.0
485.39664	5.9
486.32956	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3125
Annotation	20-Hydroxyecdysone 2-acetate
Peak:m/z	Relative Intensity
55.07098	2.8
55.67673	2.6
55.78551	2.8
59.01398	3.1
60.08163	3.1
61.98832	5.2
70.10707	2.8
71.28905	3.9
73.73970	3.0
76.30898	2.7
77.81184	3.0
103.92904	3.2
114.16866	2.8
121.02980	16.3
123.08162	7.0
149.06090	4.3
150.06853	27.4
155.10770	4.8
162.06885	46.4
163.07561	9.0
164.08461	3.0
176.08368	4.0
177.09232	13.0
179.05679	2.9
179.10814	3.7
261.18530	3.8
295.06580	3.2
343.21341	43.1
399.14386	6.8
432.37878	3.6
503.30286	35.4
521.31262	100.0
522.31494	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98143	1.7
59.01400	2.5
70.19135	5.1
78.95936	2.5
95.05028	3.0
98.22477	1.9
105.03463	12.3
129.00502	1.5
132.02209	5.4
133.02966	41.7
133.03906	2.9
134.03781	9.8
135.04524	5.0
137.02451	4.4
138.90895	1.5
139.04034	2.1
147.04498	2.0
148.05373	4.3
154.04111	1.5
159.30930	1.5
160.01662	27.4
160.02856	1.8
161.02469	22.6
161.06096	2.5
162.02899	1.4
175.04013	65.4
175.05516	3.4
176.04445	2.5
178.02730	2.7
179.03607	3.6
193.05127	5.5
233.08290	2.0
247.09653	2.8
258.23001	1.6
261.11383	3.3
271.22934	6.6
275.12967	2.1
289.14871	2.0
298.14130	1.6
314.61194	1.4
317.17719	2.0
328.94925	1.5
331.19281	2.9
345.20850	5.1
347.26047	2.2
352.32706	1.6
361.27911	2.0
362.28336	1.6
373.24329	2.2
415.25082	11.2
429.26553	31.0
430.27066	2.3
447.27560	46.3
448.27908	5.4
449.05093	1.6
506.29410	3.5
521.31415	100.0
522.31726	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03472	1.2
58.00578	0.4
59.01381	10.0
61.98813	0.6
68.04825	0.2
69.03437	0.3
71.01387	8.7
72.99306	0.7
73.02950	1.7
83.01388	1.2
85.02957	2.8
85.73808	0.2
87.00868	1.1
89.02448	2.7
95.01390	0.7
99.00919	0.5
101.02444	3.9
111.00905	0.5
113.02466	2.2
119.03494	0.7
127.11302	0.2
130.50426	0.2
137.06023	0.2
162.03259	0.3
165.93916	0.2
167.10779	0.6
185.11797	0.3
201.15074	0.3
295.22794	1.3
309.24307	0.3
311.25882	0.4
313.23856	3.0
325.24072	0.2
341.26974	6.6
342.27505	0.6
345.17853	0.2
357.26477	0.4
359.28033	27.5
360.28345	2.2
401.29105	0.5
503.32175	1.5
521.33319	100.0
522.33661	11.2
522.41626	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
57.03447	0.9
58.00592	0.3
59.01382	8.1
61.98816	0.5
65.86913	0.3
69.03459	0.5
69.18048	1.9
69.18461	0.5
71.01389	6.9
72.99294	0.5
73.02968	1.5
76.95987	0.3
77.10101	0.3
83.01382	1.5
85.02964	2.2
86.53066	0.3
87.00870	0.8
89.02445	2.7
95.01389	0.4
99.00874	0.6
101.02461	3.6
111.00892	0.5
113.02454	1.6
119.03507	0.9
184.20563	0.3
193.05159	0.3
240.53925	0.3
295.22733	1.1
311.25952	0.5
313.23889	2.8
334.25699	0.3
341.27042	6.2
357.26547	0.4
359.28049	25.6
360.28458	2.3
401.29254	0.3
503.32321	1.1
521.33331	100.0
522.33685	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
56.99818	0.5
57.03449	1.0
59.01389	13.3
61.98829	1.1
69.23566	0.8
69.23976	3.2
71.01388	7.9
72.99300	0.9
73.02937	1.8
73.55588	0.5
83.01408	1.2
85.02960	3.0
87.00896	0.8
89.02463	3.6
94.03677	0.5
97.24508	0.6
99.00894	1.1
101.02462	5.2
101.82470	0.5
113.02456	2.4
119.03549	0.7
139.04071	0.7
173.04460	0.6
191.08604	0.6
286.22354	0.5
295.22705	0.9
302.38577	0.6
313.23911	3.0
325.77899	0.6
332.77795	0.6
341.26962	8.0
358.26779	0.8
359.28027	27.3
360.28445	2.1
435.38428	0.6
503.32367	1.0
521.33319	100.0
522.33795	9.4
526.53113	0.6
526.74829	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3489
Annotation	Lycernuic acid C
Peak:m/z	Relative Intensity
55.69647	0.6
56.69415	0.7
57.03449	2.3
57.62368	0.7
59.01369	1.5
61.98838	1.5
65.13171	0.7
66.71887	0.8
71.01389	10.9
71.05015	0.8
71.31747	1.0
72.99271	0.8
82.72485	0.8
87.00864	2.2
89.02453	19.5
94.35271	0.8
115.04039	0.8
162.06862	1.2
168.60820	0.8
188.53734	0.9
214.83057	0.8
256.01138	0.8
257.15558	1.2
413.30914	0.9
427.21024	0.9
431.31699	23.1
432.32080	2.3
475.34299	1.7
477.67203	1.0
521.34863	100.0
522.35272	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77374	1.7
56.99010	1.7
59.01373	6.8
68.36021	1.8
68.37035	1.8
71.01374	3.0
75.30949	1.7
81.27147	2.0
101.02426	3.2
129.05861	3.3
132.04556	3.0
133.54608	2.0
142.06645	18.2
144.08180	5.0
144.16455	2.2
161.04784	2.2
170.06125	47.0
188.05533	4.2
188.07187	62.4
189.07504	3.2
221.22681	2.3
232.06163	100.0
233.06432	5.9
289.07242	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18976	2.8
55.01865	3.3
57.03437	11.3
59.01385	61.3
60.01706	3.7
71.01031	4.3
71.01389	58.8
72.01701	3.4
72.99273	3.1
73.02938	8.2
73.14693	3.0
83.01412	4.0
85.02959	17.8
87.00863	5.4
88.98795	4.5
89.02464	49.4
93.03489	3.2
101.02455	35.3
102.02794	3.5
109.02948	14.3
113.02416	13.8
119.03519	5.7
121.02953	3.4
125.02464	11.2
131.03535	17.3
137.02473	3.3
143.03508	5.4
149.04570	24.7
153.01913	4.3
159.02988	3.2
159.04512	5.0
161.04550	11.9
165.05562	9.1
173.06122	3.7
185.11852	62.3
186.12160	4.2
190.06076	2.8
191.05653	9.0
199.09784	7.1
241.05064	5.2
242.05458	3.2
256.07239	5.2
282.46140	3.1
293.08923	13.4
300.09705	3.8
331.17740	18.0
344.12604	7.8
345.13065	23.4
346.13940	3.4
359.14996	25.2
360.15344	70.6
361.16516	31.7
391.23428	11.6
463.21790	15.3
522.20624	100.0
523.21112	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
61.89257	7.3
65.29442	7.2
69.00826	100.0
85.74368	9.5
98.21715	15.8
98.47068	7.2
100.88061	7.7
105.41840	7.8
116.32000	7.6
121.02975	21.6
124.90401	8.0
136.91577	7.8
139.07684	9.7
417.24600	18.2
435.14795	10.1
435.25555	16.6
441.72049	9.9
458.66733	8.8
479.24261	51.5
523.30280	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01796	0.4
59.01384	0.4
61.98832	100.0
69.04277	1.7
69.04707	2.2
119.64874	0.5
120.58590	0.3
146.81558	0.5
169.04999	0.4
191.44234	0.4
360.94586	0.5
461.23676	0.7
491.20929	0.5
505.22601	0.6
522.22760	0.6
522.34802	0.5
523.23187	3.5
523.29376	0.5
547.25122	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25027	3.2
65.92693	3.0
78.95914	56.9
96.96957	4.1
98.85535	3.3
126.11581	3.6
150.18034	3.2
152.99596	100.0
192.70479	3.1
209.10352	3.2
209.18080	3.3
281.91983	3.8
322.89011	3.5
378.61121	3.8
435.24774	23.3
479.27789	5.0
522.28802	7.5
533.52112	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99884	22.8
69.76239	100.0
78.95932	29.9
95.02129	21.2
102.73399	21.4
152.99573	56.2
164.42137	24.8
171.10854	26.0
194.45461	21.6
223.25998	22.4
298.40176	24.7
407.73615	26.7
435.29266	38.8
479.27884	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60958	11.5
55.95180	12.9
69.78771	65.1
71.55121	11.7
98.22534	16.6
103.17709	12.6
131.90004	12.3
163.95299	10.6
174.70233	12.2
192.35965	14.5
395.45496	12.9
435.29202	63.1
479.28055	100.0
483.70609	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21843	29.3
60.36019	31.8
96.14144	31.7
156.15901	37.1
162.75977	36.2
230.58919	38.4
298.67502	41.3
348.22861	39.1
486.32968	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95633	12.9
61.83174	12.6
62.77827	10.2
69.14340	100.0
90.13677	14.3
92.12834	11.9
98.22556	21.3
116.08514	10.8
152.99612	13.0
175.95093	10.9
214.46623	13.5
226.12852	11.7
392.01770	13.3
479.27997	27.3
540.58020	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25477	17.4
56.29189	21.2
61.98839	33.4
62.28923	19.2
68.56236	18.2
71.63340	19.9
76.12569	24.8
82.71182	22.9
101.86856	20.7
111.51935	18.5
121.31756	16.8
139.59485	17.8
152.99588	37.3
168.03651	19.7
325.01370	19.9
332.90500	18.8
340.21796	19.5
522.29443	30.4
523.28485	100.0
546.25043	22.4
549.75183	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67141	13.9
61.98812	16.9
70.82803	29.4
79.34954	13.7
87.00874	23.7
96.30431	13.7
123.55784	14.3
163.46986	14.2
173.67563	14.1
177.77518	15.7
195.31403	14.4
205.10410	14.8
234.56561	14.9
286.77151	15.7
299.20038	24.0
344.13144	14.9
443.27893	34.3
487.27008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.8
63.70006	1.1
64.76786	1.3
70.02089	1.0
71.01380	2.0
71.30301	1.6
73.02914	1.0
76.67841	1.1
83.01007	1.3
85.02972	2.4
85.94906	1.0
93.03476	1.8
96.85416	1.0
96.96020	11.6
103.58458	1.1
119.05031	69.1
120.05387	1.9
125.02464	1.3
125.78026	1.2
135.04515	2.0
145.02975	7.0
163.04019	100.0
164.04378	4.2
173.04564	1.6
180.91124	1.2
191.05623	2.6
241.13220	1.3
243.10379	1.8
271.91602	1.2
305.10056	1.3
325.09308	31.3
326.09561	2.4
331.17776	1.3
349.09332	2.1
361.09842	2.2
367.10254	4.1
523.14331	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.7
57.03455	3.8
59.01385	34.0
61.98829	1.6
71.01390	39.9
72.99303	3.8
73.02953	14.4
75.00886	2.2
77.01665	1.6
81.03471	2.1
82.53316	1.9
83.01398	5.3
85.02961	17.6
87.00893	3.0
89.02454	14.8
93.03461	8.6
95.01391	4.6
97.02956	2.7
99.00908	4.5
101.02457	28.4
107.05055	4.2
108.02184	6.2
111.04584	3.5
113.02464	17.6
119.03556	3.5
119.05018	2.5
121.02950	9.9
122.03737	3.1
123.04510	5.0
124.01644	2.6
125.06133	2.4
129.01895	2.2
131.03517	16.1
134.03717	3.7
135.04544	8.3
136.01660	1.8
137.02531	1.5
137.09743	4.8
149.04568	2.8
149.06044	2.0
150.03255	4.4
150.44357	1.6
151.03951	3.3
155.03529	2.4
155.10817	31.9
159.02936	3.0
159.04532	2.7
160.05286	6.3
161.04543	14.3
161.05713	2.3
165.05586	3.9
173.04610	14.3
173.06093	2.2
175.07635	6.5
182.35733	1.6
185.06166	2.6
187.07539	1.6
191.05656	17.1
199.07677	14.5
199.09760	32.4
200.08383	4.2
209.06149	2.7
210.06877	62.2
211.07434	3.5
213.05646	3.4
225.05693	3.3
225.09238	28.6
226.06364	2.5
227.07166	42.8
228.07928	35.6
229.08316	1.8
241.08698	10.3
241.10902	3.3
243.10272	86.3
244.10686	4.7
246.08969	5.6
253.10867	2.4
259.09717	3.1
261.11343	21.0
262.11673	2.3
301.12823	2.2
305.10321	11.2
329.13913	6.5
330.14307	8.3
331.08347	2.3
331.14243	9.8
331.17725	6.8
346.30069	1.7
349.09293	100.0
349.62567	1.6
350.09723	7.2
361.15311	2.9
391.23410	52.0
392.23730	2.5
405.70602	1.9
435.21960	1.9
463.21771	5.2
523.14917	4.4
523.27704	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30149	1.3
57.03437	1.8
58.38828	1.3
59.01376	7.9
60.53977	1.5
65.86398	1.2
67.01871	2.4
69.03442	1.8
71.01391	7.6
72.99306	2.6
73.02948	5.4
83.05033	3.4
85.02949	11.1
87.00893	3.6
87.96021	1.6
89.02441	2.9
93.03456	13.4
93.48493	1.4
96.96022	2.3
101.02456	3.9
109.02943	2.2
111.04528	9.0
119.05045	3.3
123.04525	1.4
125.02467	2.5
127.04050	2.2
131.03542	2.6
134.03728	4.2
135.04527	5.7
136.01610	1.8
137.02481	2.7
145.03015	1.9
149.04587	1.6
149.06071	3.2
151.03969	2.6
155.03531	9.9
160.05331	1.8
163.04030	2.2
173.04567	24.7
174.04729	1.4
175.03952	2.0
179.03511	1.7
182.07391	4.2
186.06885	3.6
191.05623	89.4
192.05984	3.0
193.05089	1.5
193.06638	4.0
197.06253	1.3
198.06920	2.0
199.07678	2.5
201.09180	1.9
209.06042	5.6
210.06870	82.3
211.07298	7.1
213.05644	8.2
214.06432	5.2
215.07063	2.5
225.05573	5.7
225.09235	11.1
226.06119	1.9
227.07272	2.4
228.07921	2.7
237.05441	2.0
242.05862	6.1
243.06657	1.5
243.10249	4.8
254.05846	24.7
255.06207	1.6
257.04562	3.0
258.05286	4.3
261.11301	5.7
268.03775	4.3
269.05402	2.3
269.08167	17.8
270.08655	1.6
286.04852	38.8
287.09253	24.4
295.06204	3.1
298.04913	8.4
305.10330	34.9
313.07199	100.0
314.07602	6.7
331.08255	90.0
331.17645	2.3
332.08527	5.9
349.09293	15.7
361.09360	2.1
451.59546	1.6
461.14484	3.5
479.15643	4.7
487.13065	4.8
505.13525	51.3
506.13876	4.9
523.14313	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05017	1.1
74.53775	1.0
75.83672	1.0
82.45361	0.9
83.21956	1.1
97.53586	1.0
121.02973	68.2
122.03304	2.6
162.06818	2.7
213.01817	1.1
229.05312	1.2
239.03503	1.2
240.93240	1.0
242.09471	1.6
243.02998	2.3
244.03731	1.3
254.05653	1.4
255.06593	2.4
256.00070	2.3
257.00919	3.3
257.08270	1.3
269.08218	4.3
270.01785	1.2
270.08911	2.6
271.02551	13.6
271.05606	1.9
272.03241	5.2
281.04538	2.5
282.05386	3.2
285.04062	3.6
285.07703	4.4
285.11230	3.2
286.04819	5.7
286.08246	2.6
287.05679	7.5
296.06961	4.7
297.07678	14.4
298.04688	2.0
299.05600	3.2
300.06448	1.6
300.09866	2.4
301.07141	5.0
301.10837	5.6
311.09256	7.2
312.10098	10.6
313.07159	7.4
314.07785	1.6
315.08582	2.9
315.12131	1.6
316.09479	2.2
324.06485	1.5
325.07162	5.6
325.10599	1.3
327.12341	5.5
328.09494	2.2
329.10266	3.3
339.08862	2.6
340.09601	5.9
341.06705	11.1
343.11731	5.2
353.10352	1.8
354.11108	2.3
355.11844	3.7
355.56625	1.3
356.09119	8.8
369.13428	1.7
371.11353	66.1
372.11942	5.1
386.13751	47.8
387.14105	2.8
401.16061	100.0
402.16455	8.3
523.19897	2.4
523.32800	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	43.3
69.70863	5.2
69.71263	12.6
71.01390	39.6
73.02943	10.6
75.00927	2.8
83.01363	3.1
85.02953	10.2
89.02461	25.2
99.00889	4.9
101.02447	27.7
106.80637	3.6
113.02464	16.4
113.79912	3.2
114.90031	3.4
119.03531	7.9
123.77828	2.8
131.03508	12.9
137.09740	9.9
149.04546	3.6
155.10797	84.3
159.02911	3.3
161.04610	17.2
165.09338	2.7
191.05737	3.2
199.07970	5.8
199.09769	100.0
200.10147	3.4
221.10133	3.0
241.10898	4.1
243.10263	4.7
290.95166	3.2
304.88513	3.2
331.17642	25.0
361.15018	9.9
391.23413	15.7
445.49719	3.1
463.22052	18.6
523.28107	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.8
57.03440	1.3
58.00583	0.9
59.01383	25.5
61.98811	1.2
64.50745	0.5
65.33205	0.5
69.18961	5.2
71.01387	20.2
72.99303	1.2
73.02934	3.9
83.01377	4.3
85.02960	7.1
87.00865	2.2
88.98820	2.0
89.02447	8.2
93.03436	1.0
95.01365	1.9
96.96007	2.4
97.02937	0.6
98.21776	1.3
99.00876	2.2
101.01835	1.0
101.02459	15.4
107.75051	0.7
108.02146	0.8
109.02953	5.3
111.00857	0.9
113.02437	7.1
119.03517	4.1
121.02965	12.5
122.02926	0.8
122.03751	11.4
123.04474	1.7
124.01688	1.3
125.02475	0.9
129.03398	1.0
131.03471	1.7
134.03732	0.8
135.04509	2.6
135.96797	0.5
136.05286	0.9
137.02449	2.2
147.04535	6.6
149.04558	1.0
149.06116	0.8
154.02708	1.6
155.10806	3.9
155.11867	0.7
161.04596	1.5
161.06065	3.0
163.04082	0.7
164.04782	0.9
165.05585	22.6
166.05977	0.6
175.07658	1.1
179.07130	8.1
191.07104	1.5
193.08571	0.6
199.09750	3.6
209.08170	0.8
223.09821	1.3
244.77980	0.7
268.02982	0.6
298.12061	0.9
313.14423	2.2
315.12271	1.9
316.13132	0.7
328.13126	2.7
331.17996	0.7
343.15558	4.0
346.14233	10.4
347.15149	2.7
361.16574	87.0
362.16956	7.8
433.07935	0.8
463.21774	1.6
523.21857	100.0
524.22278	8.2
525.94940	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49590	2.2
60.99300	7.4
61.97367	3.0
78.95912	63.1
88.98817	28.5
95.35184	2.8
96.96972	4.0
114.03717	2.9
144.62628	2.9
152.99611	100.0
171.00616	4.8
186.86588	10.3
242.89091	10.1
260.90152	5.8
279.23480	2.9
282.53839	3.5
358.24234	2.9
370.52487	2.9
433.23413	19.6
445.91129	3.2
523.27637	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.234
Annotation	Saucerneol C
Peak:m/z	Relative Intensity
53.23220	0.8
59.01364	1.0
61.98809	1.2
62.29348	0.9
69.16404	6.5
80.91686	1.1
108.02197	1.4
109.02969	9.2
121.02975	3.4
122.03762	1.5
123.04520	4.1
124.01665	3.0
125.02464	2.3
134.03754	27.5
135.04585	6.4
136.53966	0.8
137.02451	15.3
138.03244	16.6
139.04037	5.8
145.02980	3.8
146.03751	76.2
147.04372	3.5
148.05341	2.3
149.06097	30.2
151.04033	2.6
152.04794	2.8
153.05605	7.1
161.06096	24.0
162.03261	2.9
163.04034	4.8
163.07652	2.7
164.04802	44.0
165.05312	2.0
170.02252	1.8
177.05621	1.9
179.07152	100.0
180.07486	3.6
184.03651	0.9
189.09178	1.2
192.08018	1.3
199.28163	0.9
272.44720	0.9
274.49750	0.9
300.13623	1.2
301.14578	1.1
311.12827	1.5
315.12756	1.4
315.15836	5.0
318.97714	1.0
328.13226	2.3
329.14020	4.5
330.14783	8.5
343.15524	90.9
344.16074	9.6
345.17072	8.1
359.18665	2.7
464.85718	1.0
467.98764	1.1
493.22220	3.8
505.22470	5.5
523.22424	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2337
Annotation	Vielanin C
Peak:m/z	Relative Intensity
50.05369	1.0
53.28745	1.2
61.98840	5.5
73.02920	1.2
83.05032	2.1
85.02949	3.2
97.02953	2.2
98.21741	2.6
99.04536	1.8
111.00898	5.4
112.01652	5.0
114.85186	1.1
121.02953	6.2
121.06575	1.8
123.04556	1.9
133.06602	1.3
137.06059	2.2
139.07635	1.8
144.05927	1.4
147.08162	2.0
149.97282	1.2
151.07596	2.9
151.11247	1.3
157.10225	1.3
159.08122	4.2
171.08112	2.1
171.11809	2.0
173.09705	4.0
185.09639	1.5
187.07663	2.7
187.11270	1.4
189.12872	1.4
199.11327	1.4
211.07710	1.4
223.11142	1.5
227.10789	2.7
257.00867	2.2
268.03366	1.1
271.02509	1.3
272.03278	2.0
287.05710	2.4
314.16595	2.5
315.17474	2.4
331.20731	2.0
333.18539	2.6
343.20633	1.4
345.18118	1.2
349.21878	1.8
357.00308	1.3
363.19305	1.3
371.11404	1.6
373.25671	1.8
375.19373	1.3
383.20166	2.3
386.13614	2.4
393.20782	4.3
399.23401	3.8
401.11884	1.6
401.16306	2.8
401.21017	2.7
417.24310	4.3
433.24020	1.5
443.22189	4.1
456.97446	1.4
461.23291	14.1
462.23547	1.8
505.22296	3.9
523.23285	100.0
524.23608	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.24
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22743	1.9
55.01858	3.4
57.03435	2.7
59.01098	3.4
59.01382	67.4
60.08941	1.9
61.98817	6.2
66.97307	1.9
69.46038	13.7
70.96501	2.0
71.01385	64.6
73.02954	14.8
82.49839	2.0
83.01357	8.1
85.02959	28.2
87.00883	3.7
87.04490	3.5
89.02451	26.7
94.95296	1.8
95.01389	5.7
98.22577	2.3
99.00871	8.9
101.01813	4.1
101.02446	52.9
113.02444	30.4
119.03517	6.6
125.02442	2.5
131.03494	22.2
131.36580	1.9
133.00426	2.1
137.09714	7.9
143.03485	4.8
149.04572	6.0
155.10786	38.6
159.02988	5.0
160.91949	2.1
161.04567	32.8
181.08716	2.9
191.05498	3.5
199.09770	38.5
207.07919	2.2
241.10873	2.4
254.31076	2.3
293.09106	2.0
301.12878	3.3
331.17618	100.0
332.17908	6.6
361.14993	3.3
375.16302	2.5
391.23282	25.3
463.21851	51.2
464.22150	5.0
502.72388	2.3
523.27631	4.3
527.65283	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.5
57.03451	2.6
59.01385	75.8
61.98831	1.2
64.31515	1.3
69.31788	5.4
69.47850	1.4
71.01390	52.6
72.83072	1.2
72.99319	2.6
73.02954	13.0
81.03454	1.8
83.01399	5.2
85.02964	20.0
86.97333	1.2
87.00896	2.6
89.02451	32.8
89.02970	2.5
95.01412	3.5
97.02956	2.1
99.00904	8.4
101.02450	40.2
113.02454	17.7
117.49278	1.2
119.03526	5.7
125.02480	4.9
131.03523	9.5
143.03522	5.2
149.04585	9.3
153.21533	1.3
154.63632	1.2
157.52315	1.1
159.03033	3.3
161.04578	19.4
169.12332	1.4
179.05569	1.9
182.51447	1.2
191.05635	4.5
195.14313	1.2
210.18196	1.3
221.06567	1.8
226.08124	1.3
233.06731	2.4
294.75473	1.2
331.17636	100.0
332.18130	6.0
364.59210	1.8
365.85669	1.4
408.00708	1.5
463.21838	17.7
497.44974	1.5
523.19598	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.4
57.03450	2.0
58.00581	1.8
59.01384	48.3
61.98830	6.5
62.74630	0.6
63.95264	0.6
66.54186	0.7
70.56638	0.6
71.01385	34.0
71.29355	1.0
72.99316	1.4
73.02952	13.1
83.01387	5.2
85.02956	17.1
87.00895	1.0
89.02457	5.8
91.58225	0.6
95.01385	2.4
99.00882	5.3
99.04577	1.0
101.02453	32.9
108.02179	2.1
109.02966	2.2
111.00874	0.8
113.02460	14.1
119.03521	1.2
123.04534	1.2
125.02471	2.7
131.03510	25.5
134.03726	1.2
141.39034	0.6
143.03517	1.9
149.04585	1.0
155.10741	1.0
159.03055	3.5
161.04572	23.3
161.99799	0.8
163.62286	0.7
167.03510	1.2
177.01918	1.2
199.09862	0.7
313.11099	0.9
325.11005	1.1
331.17627	100.0
332.18030	5.4
343.08234	5.6
343.11777	1.2
360.15744	0.8
361.12381	1.1
361.16510	1.3
375.16364	1.0
463.21878	36.0
464.21869	2.8
523.19128	1.7
524.19067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.6
57.03437	2.6
59.01388	50.2
69.18195	17.8
71.01392	40.2
73.02959	14.8
79.07233	2.2
80.20990	1.9
83.01384	4.2
85.02961	15.7
89.02464	14.7
90.13703	2.6
95.01394	3.4
98.21774	4.8
99.00888	3.2
101.02453	39.7
102.02779	2.0
105.36226	2.3
107.65387	2.0
110.43622	2.1
113.02467	20.7
119.03533	2.6
124.95411	1.9
126.03299	2.1
131.03499	15.8
143.03546	5.5
149.04613	6.6
159.03017	4.7
161.04573	28.8
191.05664	6.2
275.76175	2.4
279.28058	2.3
281.33212	2.4
298.42599	2.3
331.17639	100.0
331.21625	5.4
332.18015	6.7
333.64355	2.1
459.76694	2.5
463.21890	25.4
523.20929	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.24
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33041	2.3
55.01868	4.4
55.47433	1.8
55.60850	2.3
57.03472	2.5
59.01385	75.0
61.98853	2.6
71.01387	59.7
73.02956	16.0
74.36354	2.1
75.00842	2.0
83.01382	5.2
85.02961	20.6
87.00861	4.0
89.02457	32.6
95.01405	3.6
97.02953	2.9
97.33058	2.2
98.21752	6.2
99.00896	9.5
101.02455	44.2
109.72320	2.1
113.02459	18.2
119.03499	6.3
127.76818	2.5
131.03526	22.8
132.67213	2.0
135.04585	2.5
142.17416	2.3
143.03502	4.7
149.04561	9.6
150.20134	2.1
155.28484	2.5
159.03032	5.6
161.04567	27.9
179.05571	4.4
186.16162	2.1
191.05632	8.1
216.14873	2.6
236.75519	2.5
329.57678	2.7
331.17648	100.0
332.17911	8.0
361.16483	2.8
391.23172	3.4
463.21896	26.1
464.22287	2.5
523.21210	3.1
523.28125	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17686	2.0
57.03441	4.8
59.01091	3.8
59.01381	68.2
60.99282	2.6
69.04787	9.8
69.05215	10.4
71.01388	59.3
72.99310	2.9
73.02956	14.9
83.01380	8.4
85.02961	15.9
87.00888	4.1
88.98808	8.6
89.02451	42.4
95.01414	3.1
96.96011	4.4
99.00897	7.4
101.02443	44.8
113.02450	21.5
118.24950	2.1
119.03506	7.8
125.02437	4.8
129.01886	1.8
131.03519	19.5
143.03493	4.8
145.32787	2.1
149.04568	18.8
155.69739	2.4
159.03030	2.8
159.06613	4.3
161.04572	26.2
173.04420	2.4
191.05641	12.3
200.14580	1.9
249.09891	3.6
291.03754	2.1
301.03668	2.6
331.17627	100.0
332.17978	6.7
343.12680	2.3
361.22021	2.4
433.07715	2.3
463.21838	50.4
464.22272	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46947	1.1
55.01885	2.7
57.03456	1.6
59.01384	60.4
61.98821	1.3
69.09746	11.8
71.01389	45.0
72.99326	2.3
73.02957	11.6
75.00875	1.9
78.45642	1.1
83.01390	6.0
85.02967	21.0
87.00900	4.6
89.02454	28.9
93.03477	4.8
95.01413	2.3
99.00900	5.1
101.02459	33.7
111.04578	1.4
113.02467	21.3
119.03525	8.8
119.05054	2.4
125.02391	1.8
131.03502	18.8
132.81679	1.1
134.03748	1.1
135.04576	1.9
137.02417	1.6
143.03516	2.8
149.04576	5.6
155.10814	1.6
159.03021	3.5
161.04567	18.9
163.04027	2.2
173.04553	5.1
179.05600	3.0
191.05617	26.4
199.09869	1.8
209.57533	1.2
241.07207	1.4
287.09085	1.8
293.08661	1.5
317.06622	1.3
331.17633	100.0
332.18201	6.2
348.17426	1.6
463.21930	32.3
464.22131	3.0
480.21930	2.1
499.91629	1.3
523.19995	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57487	1.8
54.20259	2.0
55.01876	9.4
57.03440	5.2
58.00603	2.1
59.01381	90.0
61.98831	14.6
65.00331	2.2
69.03449	2.6
69.15730	16.1
70.64905	2.2
71.01385	91.8
72.99322	4.5
73.02955	22.6
75.00859	2.0
82.98022	2.3
83.01395	13.0
84.07973	2.0
85.02956	34.8
87.00888	7.6
89.02453	44.4
95.01401	6.2
95.67122	2.0
96.98109	1.9
97.02945	4.3
97.08897	2.0
99.00868	14.5
101.02450	65.0
109.06577	2.3
111.00891	4.8
113.02463	32.0
119.03507	15.1
123.00880	3.0
125.02453	6.3
127.00406	5.1
129.01961	2.6
131.03528	15.1
135.04553	3.9
136.98857	1.7
137.02518	2.4
139.00404	20.9
143.03502	8.6
149.02469	6.2
149.04565	8.8
151.03987	2.2
153.01935	4.8
159.02972	3.3
161.04579	30.2
163.11249	2.1
164.04797	14.9
179.05676	4.6
179.07149	12.0
181.08624	2.7
191.05598	9.8
221.06628	4.8
221.84404	1.9
256.10056	1.9
331.17630	100.0
331.21655	4.8
332.18036	6.6
343.13751	3.0
356.84476	2.2
361.12949	39.3
361.29654	25.1
362.13217	3.7
366.30527	2.3
463.21924	20.3
477.22913	2.6
505.21127	6.0
513.46692	2.2
523.26019	6.1
523.34985	58.2
524.34863	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.9
58.00611	2.0
59.01383	39.5
61.98839	37.4
66.13545	1.9
69.01455	17.6
69.03455	2.8
71.01387	35.0
72.99326	2.2
73.02949	7.9
82.30283	2.1
83.01395	2.6
85.02950	8.1
86.01759	1.7
87.00896	3.1
87.04533	10.0
89.02452	49.8
93.03483	2.0
95.62968	1.9
97.02968	2.5
99.04551	3.3
101.02457	14.5
113.02458	5.2
119.03526	2.1
121.02965	57.6
121.06544	1.9
125.02438	13.0
131.03511	13.1
137.02390	2.0
139.07597	2.6
143.03548	2.4
149.04573	16.2
169.12354	100.0
170.12741	2.2
191.05640	7.2
205.44710	1.8
209.11922	2.4
245.14825	2.0
277.44440	1.9
293.08853	16.2
354.18240	1.8
361.24695	2.1
397.20581	2.1
451.94150	1.9
463.22092	2.0
505.22415	2.9
523.22870	6.0
523.29047	5.9
523.34967	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.6
56.80458	0.5
57.03437	2.2
57.86173	0.5
58.00576	0.7
59.01383	37.4
63.44841	0.5
69.13173	3.9
71.01388	40.6
72.99312	1.2
73.02950	13.9
75.00903	0.6
83.01392	5.7
85.02957	18.8
87.00874	1.1
89.02451	6.8
95.01389	3.1
97.02958	1.8
97.41286	0.5
98.22617	0.5
99.00898	6.1
100.25053	0.5
101.02449	32.0
102.02802	0.6
113.02454	18.5
114.91623	0.5
119.03471	0.9
125.02423	1.5
129.01958	1.4
131.03516	16.1
132.56894	0.5
143.03505	2.6
149.04524	0.9
150.24646	0.5
155.10826	2.5
159.02994	4.5
161.04564	28.0
162.04868	1.0
191.05579	1.2
197.31651	0.5
199.09714	2.3
221.01410	0.5
331.17630	100.0
332.17880	5.6
391.23163	2.8
463.21863	35.3
464.22223	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50830	0.9
57.03448	1.9
59.01377	1.6
61.98821	1.7
66.15775	1.0
70.93150	1.3
70.93499	1.5
78.95910	35.7
80.96516	1.0
87.00858	1.1
92.64273	0.9
96.96968	3.6
109.99913	0.8
111.00751	1.0
113.09718	3.3
121.02979	1.7
122.93400	0.9
152.99603	45.6
162.06844	4.0
163.07614	1.0
171.00644	3.0
177.09138	1.8
179.14423	2.0
181.64557	1.0
195.12289	1.5
195.13922	22.5
196.13972	1.0
200.72237	1.1
211.56052	1.1
227.03247	6.5
245.04288	2.9
258.60211	0.9
277.21741	23.4
278.22269	1.4
295.22797	98.9
296.23203	6.0
355.58423	1.0
431.21973	1.5
523.26666	100.0
524.27203	7.9
524.89819	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50830	0.9
57.03448	1.9
59.01377	1.6
61.98821	1.7
66.15775	1.0
70.93150	1.3
70.93499	1.5
78.95910	35.7
80.96516	1.0
87.00858	1.1
92.64273	0.9
96.96968	3.6
109.99913	0.8
111.00751	1.0
113.09718	3.3
121.02979	1.7
122.93400	0.9
152.99603	45.6
162.06844	4.0
163.07614	1.0
171.00644	3.0
177.09138	1.8
179.14423	2.0
181.64557	1.0
195.12289	1.5
195.13922	22.5
196.13972	1.0
200.72237	1.1
211.56052	1.1
227.03247	6.5
245.04288	2.9
258.60211	0.9
277.21741	23.4
278.22269	1.4
295.22797	98.9
296.23203	6.0
355.58423	1.0
431.21973	1.5
523.26666	100.0
524.27203	7.9
524.89819	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54926	0.6
55.81640	0.5
58.00599	0.5
60.97492	0.5
70.58218	1.5
71.01385	1.9
78.77496	0.5
89.34206	0.5
111.00616	0.8
111.04550	1.1
121.02966	15.7
122.03291	5.2
123.03456	1.5
211.03218	0.5
247.80739	0.6
296.63538	0.5
383.29727	0.9
449.26804	2.4
465.30249	0.8
505.29358	0.8
523.30432	100.0
524.30804	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32858	0.9
61.98893	0.9
65.30697	1.0
69.12988	7.8
78.95909	9.9
80.56673	1.1
84.57677	0.9
85.02966	2.3
85.09625	1.0
87.86565	0.9
88.98805	4.9
107.53696	1.0
133.67479	1.0
152.99588	13.2
171.00702	0.9
186.86612	1.3
189.13173	1.1
219.41707	0.9
242.89270	3.2
260.90274	1.4
267.17551	7.7
329.10013	1.0
339.23209	1.0
353.24759	1.4
354.25693	1.6
355.26538	3.8
387.58090	1.0
423.29147	3.8
445.27197	5.6
459.25278	8.6
461.30258	11.7
477.26340	13.2
478.26358	1.6
479.31128	2.0
505.27979	4.6
521.24951	1.4
523.30420	100.0
524.30768	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.6
59.01385	100.0
61.98825	13.3
68.99974	27.0
69.00396	20.8
71.01387	37.4
72.99314	9.0
73.02942	17.8
78.58765	3.9
84.82521	4.4
85.02969	18.1
87.00877	4.7
89.02445	12.0
98.22351	19.9
99.00112	4.3
99.00867	5.5
99.04543	4.9
101.02464	28.2
110.46561	4.1
113.02427	12.9
121.02884	4.3
137.06090	6.9
145.70192	4.0
151.07603	5.4
153.05658	4.8
159.02940	5.6
161.04541	12.3
187.09727	9.3
191.05702	5.2
229.12349	6.4
278.33572	4.0
301.27338	6.9
359.21094	4.7
401.12207	6.2
463.32910	53.8
479.29984	15.9
523.33069	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	5.7
61.98824	3.9
66.41445	3.4
69.07681	21.7
69.08089	10.2
71.05046	7.0
71.16567	5.0
81.03458	4.7
88.04050	34.0
95.05042	3.9
98.87596	3.4
109.02956	12.8
121.50901	3.6
123.00896	3.8
123.04522	5.5
125.02454	76.1
137.02490	27.4
139.04056	14.0
146.08263	18.1
150.03244	5.3
152.01186	5.5
161.02498	4.2
164.01144	8.2
165.01993	13.5
165.05595	8.3
167.03517	26.4
177.01920	4.9
177.05588	4.3
179.03546	14.6
195.06592	4.2
218.10330	42.9
219.06519	7.9
221.04565	8.3
243.03015	4.3
289.07175	5.8
305.06696	100.0
352.95490	3.9
363.11102	4.5
388.57999	3.7
425.55667	4.1
525.08197	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15832	0.3
61.98833	100.0
66.05637	0.3
67.33602	0.3
71.28914	0.2
75.38806	0.3
117.98072	0.3
121.02962	0.3
166.06404	0.5
172.95096	0.3
175.88847	0.3
187.31320	0.3
217.47650	0.3
226.91132	0.3
242.40010	0.3
381.06329	0.4
420.84714	0.3
525.21503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28017	0.5
55.01891	0.9
57.03456	0.6
57.22215	0.5
59.01375	7.3
61.98834	100.0
71.01380	5.4
73.02950	1.5
83.01379	0.6
85.02972	2.8
89.02464	2.3
96.03545	0.5
101.02451	4.3
102.02765	0.6
109.03014	0.9
110.34670	0.5
113.02467	1.2
114.02767	0.6
119.03553	0.6
121.03002	2.0
122.03759	1.9
123.04086	0.6
125.52940	0.6
136.05107	0.5
147.04472	0.9
153.78365	0.5
161.04536	0.9
165.05559	3.5
166.05957	1.8
179.07175	1.5
180.07487	0.6
223.09084	0.5
274.36490	0.5
314.14709	0.6
331.17590	0.9
332.17908	1.8
343.69751	0.6
344.15894	1.1
346.14545	0.6
347.14606	2.1
361.16589	4.6
362.16898	16.2
363.17294	0.9
449.80807	0.5
464.22037	1.2
524.22180	27.5
525.22723	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.4
61.98831	8.1
69.19615	3.8
69.20041	10.7
71.01382	9.9
73.02911	2.0
77.50696	1.8
83.01376	1.5
85.02930	4.1
86.03278	1.5
88.98807	5.9
89.02441	6.2
94.06622	4.0
95.44965	1.6
101.02436	6.4
102.02689	1.4
107.03755	6.2
113.02432	2.3
122.06127	44.7
124.07687	1.5
125.02423	1.9
132.04544	9.6
134.06105	3.3
135.06889	2.4
147.03233	1.8
149.04535	4.6
152.07181	78.9
153.07518	1.9
158.02490	4.0
159.23682	1.6
160.04027	5.5
161.04579	2.4
176.03485	4.5
190.05090	15.5
191.05585	4.4
215.11859	2.3
219.29077	1.5
223.08748	4.1
224.09572	4.5
237.10420	2.0
239.11960	15.3
240.10199	4.0
241.09949	2.0
251.11818	3.9
253.06137	4.9
265.09726	2.3
267.07758	3.3
268.08542	2.5
280.08420	3.2
283.10876	48.7
284.11365	2.4
295.10892	12.9
297.12262	2.5
312.11011	2.2
315.13458	3.0
327.13251	1.9
331.17606	1.6
332.17880	5.7
333.19196	1.8
341.11368	5.8
349.18945	1.8
355.12885	5.2
375.21558	1.6
420.18930	2.1
448.18756	50.4
449.18854	4.9
464.22571	3.1
480.21362	9.9
481.22263	2.4
492.17776	100.0
493.17966	9.4
522.04407	1.5
524.20337	52.3
525.20551	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87971	0.8
59.01374	3.1
61.98820	2.6
69.54093	3.6
71.01369	2.6
73.02954	1.1
78.86941	0.9
85.02942	1.9
89.81179	0.8
94.06618	3.5
95.83901	0.9
101.02450	2.3
104.05042	1.1
106.06606	1.5
107.03780	5.2
108.04556	0.8
113.02454	1.6
121.05355	1.1
122.05244	1.5
122.06132	31.3
124.07705	2.0
132.04572	7.1
134.06123	3.5
139.02751	1.1
144.04576	1.1
150.05568	1.3
152.07184	64.9
153.07457	1.0
158.02458	2.1
160.04037	3.4
161.04541	1.3
162.05647	1.7
164.03500	1.1
166.06367	0.9
174.05630	0.9
176.03522	2.4
188.98618	0.8
190.05153	6.4
211.12407	1.2
214.03249	0.8
215.11908	2.4
223.08730	3.6
224.09505	3.6
225.07605	0.8
225.10115	1.0
227.08087	1.1
237.10368	1.5
238.11122	2.0
239.08255	1.8
239.11894	17.2
240.10341	1.3
241.09851	2.4
251.08313	1.1
251.11839	3.2
252.08882	1.2
253.06175	3.8
253.09938	0.9
255.07642	1.4
255.11382	1.6
265.09692	1.8
267.07703	3.4
267.11209	2.0
268.08401	2.8
279.07605	1.2
280.08469	2.1
281.09256	1.9
283.10895	40.5
283.73752	0.8
284.11325	2.4
295.10889	10.2
297.12085	1.0
307.10709	1.3
312.10995	2.9
331.17667	1.3
332.17896	1.5
339.09915	1.1
341.11310	1.8
344.14453	1.5
355.12930	1.4
383.10095	1.0
420.19824	1.8
430.17636	1.0
448.18781	53.0
449.19113	3.9
458.09305	0.8
464.18011	1.4
474.16760	1.8
480.21439	2.0
492.17786	100.0
493.18185	9.7
524.20398	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
61.26998	72.6
69.84804	74.5
76.81657	72.7
85.29570	78.7
89.48007	63.8
113.85022	73.2
134.53731	79.9
135.14365	89.4
136.94173	77.2
138.19278	76.4
154.83827	83.8
174.30934	75.0
191.21407	77.1
229.17056	100.0
245.94659	73.6
248.33484	96.8
533.87390	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36717	5.8
59.38490	5.1
69.03456	15.0
83.05030	35.4
85.44776	5.0
97.02975	14.1
99.04578	9.4
101.42546	5.4
105.99310	5.4
111.00920	7.9
124.01661	9.6
125.02459	25.4
127.04031	30.8
133.52898	6.4
139.07672	8.8
141.22432	5.6
197.11916	7.4
204.40999	5.8
209.11862	6.5
211.11188	18.0
214.47623	6.0
217.50356	5.5
217.77403	6.2
223.62692	7.5
233.61803	6.1
327.20081	6.0
371.18661	9.4
383.22424	5.7
397.20447	10.1
401.24963	21.0
419.26144	7.9
427.21667	8.7
445.23901	38.2
463.24847	27.7
481.26163	44.4
489.22922	28.6
507.24072	33.2
524.27533	28.6
525.24860	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31209	1.7
59.01382	2.0
69.06276	18.3
71.02032	1.8
73.94366	2.0
83.05013	2.8
99.04543	5.3
109.87334	1.8
121.02932	2.3
121.06548	2.9
123.08244	2.2
125.09745	30.0
138.39642	2.0
139.07639	3.0
166.33725	2.1
169.08722	1.9
192.83212	2.0
213.16592	3.9
239.14420	5.0
265.15948	2.4
267.00076	2.0
281.19141	5.5
288.66504	1.9
303.56998	2.3
355.59299	2.4
375.27002	5.7
393.28009	5.7
427.66455	2.1
437.26923	24.6
463.25034	3.9
481.25967	100.0
482.26361	10.8
505.69604	2.0
524.27637	2.4
525.31891	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57148	49.1
52.07721	42.3
53.95701	46.7
60.81496	46.2
65.14867	43.7
70.90714	47.1
90.15568	42.6
98.22651	100.0
99.32471	49.5
126.69395	45.7
137.71840	44.0
279.63089	56.0
312.23889	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
62.60791	70.4
75.28197	88.3
91.18131	68.4
92.12400	82.0
138.88789	100.0
187.21613	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
64.72182	13.0
69.07912	100.0
98.21805	26.8
149.06937	11.2
184.61021	13.5
203.01773	11.7
226.22594	11.7
316.96619	14.0
424.60590	13.7
524.28607	87.2
527.88599	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14497	100.0
70.30383	10.7
71.30669	10.2
72.51662	10.6
73.31065	10.1
98.22649	20.6
105.45098	11.3
222.06335	11.9
228.11868	10.8
318.79642	11.1
478.56448	12.3
525.31799	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55132	40.2
52.03275	37.9
70.56034	40.0
98.22604	100.0
104.61519	50.4
144.09070	40.6
146.63023	39.9
167.96889	44.9
175.45638	41.5
207.43454	48.3
227.66286	39.8
246.00595	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	15.6
88.01665	14.8
113.06118	21.2
218.39319	19.1
227.11198	16.9
229.24609	20.4
359.43030	15.9
480.31970	35.6
481.25854	25.5
524.31165	100.0
525.25232	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01688	49.1
61.98830	72.1
63.12173	57.8
70.41616	100.0
146.21136	58.1
257.34036	53.1
299.22336	65.8
524.30463	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.3
59.01362	2.5
64.51010	1.0
65.46740	1.0
69.03439	1.6
69.63766	3.0
69.64178	4.5
71.01377	2.6
73.02943	1.2
82.86183	1.2
83.01405	2.4
85.02956	16.2
87.00898	1.3
87.04525	1.2
93.03453	4.9
95.01392	1.7
98.22304	2.2
99.00878	3.6
99.04536	2.1
101.02440	6.2
109.02988	1.3
111.04526	1.7
113.02453	1.5
119.05013	1.6
123.00877	1.5
124.01646	5.8
125.02456	8.9
127.03992	4.2
131.03543	1.9
135.04547	1.6
137.02431	5.8
147.04556	5.5
151.04005	2.1
161.02386	1.6
162.03233	8.6
163.03996	3.4
164.07053	1.3
165.05530	1.2
173.04539	4.5
175.03969	2.6
177.01901	7.8
189.01952	8.0
190.02718	58.1
191.03528	15.4
191.05603	90.7
192.05934	2.1
203.03471	3.7
203.07074	2.5
219.03009	17.2
222.01662	5.4
227.07155	1.7
231.02942	4.4
233.04584	1.2
245.08214	1.6
249.04054	76.1
250.04349	3.1
263.09253	5.2
271.06097	2.3
284.88263	1.2
333.06177	100.0
334.06607	5.9
351.07214	78.4
351.11627	1.9
352.07578	4.3
502.33383	1.4
525.12463	36.9
526.12927	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01129	1.5
59.01384	10.7
61.98832	18.2
71.01385	10.7
71.31440	1.6
73.02954	3.0
78.91902	2.6
81.03436	1.9
85.02948	7.9
87.00872	2.4
89.02445	4.7
93.03467	9.1
95.05039	6.2
97.02943	2.0
99.00843	2.2
101.02476	8.9
105.03465	4.3
105.93719	1.5
107.84466	1.5
109.02992	1.9
111.04545	4.0
113.02434	2.8
119.05033	7.1
123.04491	1.6
125.02460	1.6
127.04008	2.1
131.03699	3.8
132.02150	9.1
133.02963	30.2
134.03795	10.7
135.04536	92.1
136.04884	2.7
137.02440	6.9
139.03984	5.8
144.04533	9.4
145.03040	1.5
146.02495	3.6
146.06140	1.9
147.03259	1.8
149.04567	2.2
155.03516	6.3
155.10756	4.1
159.03160	3.7
160.01645	3.6
161.02475	4.1
161.04564	2.7
163.04062	5.4
165.01935	1.6
171.05556	9.7
173.04538	9.6
173.07150	1.9
177.01933	14.5
178.02724	13.1
179.03508	100.0
180.03860	3.1
189.06659	3.4
191.05624	46.1
195.10315	3.5
199.09767	2.3
201.10507	2.0
282.75262	1.6
307.10870	4.4
322.07190	6.9
333.08963	3.8
333.18973	2.4
347.17242	3.8
349.09338	1.9
351.09952	45.4
352.10291	2.0
353.08810	13.5
465.22971	2.3
496.12704	4.2
525.14966	3.5
525.29187	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96119	0.7
55.72052	0.7
59.01361	0.8
59.65845	0.6
65.89793	0.7
69.43334	1.3
69.43739	2.8
72.85023	0.8
80.02702	0.8
91.01917	1.5
93.03497	1.3
100.76331	0.7
108.02177	19.4
113.02464	1.1
121.02939	4.1
122.03762	4.1
123.04536	14.9
132.28548	0.9
133.02953	0.8
149.02435	13.8
150.03235	36.8
151.03812	1.3
152.01158	45.6
153.01480	0.8
164.04797	2.3
165.05577	41.5
166.02776	1.2
166.05937	1.8
167.03505	100.0
168.03836	2.1
180.04303	4.1
181.05061	1.8
195.06636	29.8
198.83180	0.7
209.04539	5.1
256.07391	5.1
256.44144	0.8
271.09824	1.2
301.10803	0.8
309.43445	0.9
315.08755	10.9
316.09384	0.8
325.21896	0.8
357.09891	1.0
358.14069	0.8
363.10895	24.7
363.15430	1.3
364.11203	2.2
421.65604	0.9
525.16235	8.6
526.16571	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04762	1.4
57.03439	1.8
59.01375	10.3
61.98811	4.3
69.26840	4.9
69.27264	6.4
71.01368	5.4
78.91916	2.1
81.08273	1.3
85.02966	2.6
89.02452	6.2
93.03436	2.6
95.01343	1.8
101.02446	3.2
108.02179	17.9
113.02462	2.4
121.03007	11.9
122.03780	8.1
123.00893	2.0
123.04549	16.3
125.02436	3.0
134.03717	2.3
146.03609	1.8
146.56953	1.6
149.02448	26.8
149.04500	1.6
150.03230	61.8
150.09625	1.4
151.00336	2.4
151.03868	2.5
152.01158	44.8
153.01636	1.6
160.56989	1.4
162.03238	2.5
164.04802	6.9
165.05579	75.4
166.02669	3.4
167.03499	100.0
167.07092	3.3
168.03818	2.6
179.07187	1.9
180.04216	4.1
181.05072	2.3
195.04810	2.6
195.06628	49.8
196.06976	2.1
209.04565	7.1
224.04808	1.9
256.07413	10.8
271.09708	5.5
315.08746	34.5
316.08932	2.4
329.08783	2.1
345.09772	2.2
363.10818	40.3
364.11139	2.6
525.08490	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01134	0.8
59.01383	8.8
61.98828	0.7
67.01893	1.1
71.01382	6.6
71.29140	0.8
72.99309	0.7
83.01425	0.7
85.02975	1.5
88.98788	0.7
89.02454	6.9
92.56331	0.7
95.01413	1.1
97.75551	0.6
101.02440	2.8
108.02188	24.1
109.59344	0.5
111.00903	1.2
113.02431	1.8
116.08263	0.6
119.03503	2.7
123.00896	1.6
123.04535	11.4
125.02412	1.2
145.02966	3.4
146.03799	1.1
149.06104	1.2
152.01164	53.5
153.01477	0.9
160.05270	3.1
161.02480	0.9
161.06052	1.1
162.03227	11.9
165.05595	1.3
166.02728	2.7
167.03511	100.0
167.07173	2.5
168.03877	3.5
177.05583	11.7
179.05696	0.8
179.07178	1.5
188.77599	0.6
191.05579	0.8
197.04567	1.0
234.81705	0.6
238.06342	1.4
253.05116	0.7
253.08670	1.4
255.06598	0.7
268.07645	0.8
298.76614	0.8
327.08771	11.8
328.09000	1.1
433.14914	1.2
444.67172	0.7
496.38657	0.7
525.08441	0.9
525.15973	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.6
57.03451	1.2
58.41270	1.4
59.01386	25.8
61.98833	4.7
69.12906	8.9
71.01388	19.8
73.02956	3.7
78.91882	1.9
80.86935	1.2
83.01410	2.7
85.02966	5.5
87.00889	3.9
89.02455	21.6
89.90208	1.1
95.01461	1.5
97.02921	1.7
101.02451	17.0
108.02171	2.2
113.02457	10.4
119.03518	10.5
121.28455	1.0
122.03755	3.6
123.04549	1.4
125.02418	1.4
131.03500	2.7
134.03758	33.2
135.04549	3.3
139.04022	10.1
143.03500	3.2
143.50429	1.4
146.03749	47.7
147.04547	18.8
149.06094	37.4
150.03241	4.5
151.03986	3.7
155.10854	2.2
161.04604	5.5
161.06104	22.8
162.03201	2.2
163.04027	1.5
164.04803	30.5
165.05574	3.3
167.07146	38.1
177.05580	1.7
179.05632	13.8
179.07124	100.0
180.07503	3.8
193.08737	2.4
199.09846	1.5
315.12473	1.8
328.11887	1.8
329.12433	35.8
330.12549	3.1
333.18890	2.8
345.08356	2.4
345.28497	1.2
383.13449	25.4
384.13712	1.7
465.23447	8.8
474.14789	1.6
477.17752	11.9
489.17764	14.8
490.17963	1.5
507.18909	3.2
525.08344	1.6
525.21112	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.3
59.01384	8.2
61.98834	27.1
65.03944	3.0
65.42028	1.7
67.01875	3.8
68.10542	1.5
69.03452	5.9
71.60654	1.5
72.51555	1.8
73.02944	5.6
81.98244	1.7
83.05025	5.3
85.02943	6.9
87.00891	1.8
87.04515	1.5
88.93102	1.5
91.05526	3.5
92.74224	1.8
93.03461	3.5
93.07104	15.0
95.05022	5.1
97.02972	20.5
99.04519	5.7
105.07082	2.0
106.25022	1.6
107.05045	2.7
108.02200	1.8
109.02952	5.8
109.06557	2.3
111.04517	4.3
113.02464	2.1
119.08694	2.0
121.06595	6.2
122.03764	4.0
123.04514	3.5
133.06624	2.4
133.10287	1.8
135.04492	3.5
135.08192	4.0
137.06096	22.6
138.06380	1.8
140.23024	1.6
143.08733	1.7
145.06648	1.9
145.10248	3.6
147.08138	3.2
147.11806	6.8
149.06091	6.5
151.07675	3.7
157.06575	2.9
157.10251	2.3
159.04544	1.8
159.08150	4.9
159.11766	4.6
160.05334	3.0
161.06067	3.2
161.09769	2.6
163.07623	1.7
171.08156	3.5
173.06116	2.8
173.09752	2.8
175.11325	1.8
177.09192	2.0
185.06070	4.6
185.09773	5.2
187.07616	5.0
187.11316	2.1
189.05609	2.8
189.09232	2.7
191.10776	23.2
195.08160	2.7
199.07686	5.4
201.05597	1.7
201.09201	3.3
201.12823	2.6
203.10805	7.9
211.07710	3.2
211.11267	2.1
213.09167	2.4
215.10739	3.0
216.50015	2.2
217.08536	2.0
223.07719	2.1
225.09145	4.5
225.12654	1.7
227.07237	2.2
227.10822	4.2
227.14241	1.8
229.08694	9.2
229.40936	1.7
235.11205	2.0
237.09177	2.7
237.12866	2.6
239.07138	1.8
239.11011	1.8
241.08685	3.7
243.10213	3.4
249.09175	3.2
251.10783	4.2
253.12381	2.0
255.10271	3.6
255.13820	2.0
259.09680	9.2
263.10794	2.4
265.12347	5.9
271.09750	2.9
275.14331	2.6
277.12445	2.9
277.15924	2.1
280.10977	2.6
281.11786	2.8
295.13474	3.2
300.14969	2.0
305.15463	2.6
307.13358	2.7
309.11304	2.8
315.13995	2.5
317.15512	2.2
319.16879	5.1
319.20599	2.8
327.17474	4.6
329.19128	3.9
341.15280	2.6
345.18655	12.1
347.20215	3.2
349.17944	2.4
353.17877	3.1
355.16983	9.5
356.17532	3.3
363.19592	3.9
363.23502	3.2
365.17340	2.1
371.16293	2.7
371.20325	24.5
375.19595	2.7
384.19418	2.3
385.18195	4.9
386.18845	2.5
387.19733	2.6
389.17297	4.2
389.21494	26.6
401.21155	6.6
403.19180	4.1
407.22742	3.1
415.19128	41.2
416.19556	4.9
419.22385	14.6
420.22903	2.5
427.17902	8.8
428.18561	8.2
433.20428	18.8
437.23398	9.0
445.20230	28.4
446.20554	4.8
463.21274	62.6
464.21521	7.6
481.15976	3.2
481.22321	39.3
482.22592	4.3
489.19543	4.5
507.20346	23.9
508.20300	2.3
525.21313	100.0
526.21637	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	14.2
59.01379	17.7
69.03455	11.7
69.94077	14.9
72.54391	5.1
72.99312	88.3
83.01441	5.1
83.05025	8.8
85.02997	4.9
93.07098	17.5
95.05017	9.7
97.02957	48.1
98.22102	9.8
99.04556	9.3
106.52082	4.3
107.05071	6.2
109.02945	12.1
109.06606	7.6
113.02476	5.2
121.06611	8.6
122.03744	7.9
125.02475	5.6
131.08659	4.2
133.06615	7.6
135.04436	4.8
135.08125	5.7
137.06088	45.0
145.06593	7.2
147.08044	4.3
147.11772	11.5
149.06093	10.2
151.07660	15.5
157.06616	8.3
159.11809	8.2
161.06071	5.7
171.08183	7.4
173.06070	8.0
173.09709	9.9
175.11310	6.8
185.06137	6.9
185.09706	5.6
187.04028	4.8
187.07646	8.9
189.09244	8.2
191.10817	24.5
197.06010	7.1
198.06853	4.4
199.07581	7.8
199.11324	5.3
203.10782	22.1
204.04344	8.6
213.05563	7.0
215.07156	5.8
217.12134	6.3
225.09213	6.9
226.06291	4.8
229.08707	13.7
233.09753	5.1
241.08748	13.8
243.10272	6.0
259.09695	9.1
271.09839	14.7
303.08789	9.0
319.16992	8.4
319.20520	5.2
329.19162	4.6
341.19290	5.3
345.18509	6.4
349.18021	5.0
353.17566	14.4
355.17075	9.4
363.23303	9.4
365.13736	8.1
371.16025	4.4
371.20279	23.1
373.17929	6.8
377.21259	5.0
387.15759	6.3
389.17001	8.2
389.21277	28.6
399.15985	14.0
401.21149	12.5
403.19308	5.7
405.20923	5.4
407.22357	8.8
415.19342	40.0
419.22446	9.7
427.17984	5.5
430.17831	5.4
433.20419	100.0
434.20593	14.4
435.17490	5.7
445.20200	41.3
446.20636	6.4
450.16812	6.3
451.21384	30.7
463.21143	59.2
464.21399	8.5
481.22397	18.2
481.31491	9.9
489.19543	4.7
507.20007	38.4
525.21368	37.2
525.30566	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.4
57.03447	3.8
59.01380	7.0
71.05005	5.7
73.02954	23.6
79.05563	2.5
83.05054	3.7
85.02988	1.7
87.04487	2.9
93.95204	1.7
95.05038	3.6
97.02965	5.6
107.05067	2.4
109.06603	7.5
121.06613	4.0
137.06108	3.1
143.70473	1.9
149.06126	2.2
151.07658	3.0
161.09700	3.3
165.05591	2.4
173.06122	2.9
175.07690	3.2
191.10735	3.8
197.06111	4.0
199.07654	2.4
210.85262	2.0
211.07594	2.2
213.09181	5.9
215.10852	4.2
235.11353	3.3
239.10846	9.8
241.08679	4.1
249.09192	2.2
255.10243	8.1
257.11844	8.8
263.10947	2.8
279.10382	2.0
279.13925	8.4
280.11203	3.7
289.12277	3.4
301.10974	5.7
308.14005	2.8
309.11731	2.4
320.14072	2.7
321.15042	2.5
339.12527	2.0
343.17090	2.2
347.16666	8.0
349.18118	4.7
361.18204	5.3
365.17709	9.0
370.54800	2.3
371.20407	4.4
377.21344	5.3
379.19147	5.0
379.43396	2.1
389.17322	4.2
389.21619	3.2
401.21335	4.6
407.18597	59.8
408.19022	5.5
415.19156	5.1
419.22336	19.1
420.22989	2.4
423.18069	3.7
437.23117	2.9
445.20337	5.3
451.17548	7.3
463.21222	21.3
464.22205	2.8
481.22339	100.0
482.22766	12.5
507.20074	12.9
525.21289	83.7
526.21777	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66917	2.1
59.01380	4.2
61.98802	2.2
70.28550	2.4
70.28847	2.4
76.87540	1.8
79.05510	1.9
79.36765	1.9
87.00864	2.2
93.03438	3.2
93.07107	2.2
95.05036	10.1
97.02950	11.9
99.04525	2.5
107.05045	2.1
109.06590	5.6
120.27943	2.3
122.03775	13.6
123.04502	2.1
125.06098	2.5
128.34506	2.1
137.06096	100.0
138.06413	3.6
147.08092	2.1
151.07623	7.7
161.09714	5.3
173.09578	2.0
187.11081	2.3
188.63498	2.2
197.09793	2.4
199.07721	2.7
205.08528	2.5
213.09195	5.2
215.10768	5.3
223.11304	3.0
224.08466	2.4
225.09236	2.3
237.12903	2.5
239.10730	5.8
239.14433	6.0
243.10265	9.0
255.10316	3.6
257.11823	9.3
279.14069	3.6
281.15533	12.2
325.14496	5.7
387.14468	4.9
401.21216	5.3
419.22217	6.7
445.20096	6.9
452.69916	2.2
463.21292	97.9
464.21631	9.5
507.20215	35.4
508.20645	4.0
525.25659	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58510	1.7
59.01368	5.1
67.01852	2.0
68.99536	13.3
79.05534	2.3
87.00867	5.2
87.33610	1.7
93.03434	3.8
95.05019	11.7
97.02965	13.3
98.22571	3.6
109.02965	3.5
109.06566	5.5
109.59910	1.8
121.06570	3.3
122.03757	11.1
123.04526	2.4
125.02459	2.7
125.06086	3.0
135.04541	2.1
136.05273	1.8
137.06094	99.0
138.54068	1.7
147.08177	2.5
151.07700	5.5
161.09729	5.1
171.08109	2.0
175.04027	2.8
197.09830	1.9
201.12708	2.1
203.10471	2.0
213.09169	4.1
215.10793	4.1
223.11200	3.3
228.07948	2.2
237.12839	4.9
239.10699	3.9
239.14400	7.4
243.10214	12.0
255.10252	4.3
257.11765	7.2
272.59445	2.3
279.13779	4.4
281.15540	13.8
325.14453	2.8
343.15933	2.3
353.17679	3.5
377.21225	2.4
386.18671	2.2
387.14474	5.3
401.20868	4.3
419.22070	8.8
445.20090	8.3
463.21252	100.0
464.21524	10.5
479.20157	2.3
507.20151	37.3
508.20520	2.4
525.21674	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77917	3.2
57.03446	24.3
59.01347	3.4
69.03445	6.5
69.48496	16.0
72.06370	4.0
83.05035	60.0
84.49995	3.3
93.03461	11.3
95.05057	3.7
97.06583	6.6
98.22528	4.3
98.49915	3.7
99.04522	10.5
107.05048	4.9
111.04518	28.1
121.02985	4.1
121.06650	3.8
123.08159	27.3
125.09720	14.5
133.06577	13.2
134.20689	3.2
139.07654	6.1
141.09218	29.2
151.07655	25.0
153.05603	10.6
169.08704	11.2
198.50520	3.5
199.11423	4.4
213.07631	5.2
213.16481	3.8
236.10420	3.9
239.14374	4.5
255.17577	6.4
267.17621	6.0
298.79617	4.2
299.16571	9.8
303.86063	4.1
311.16617	8.5
357.25720	6.2
359.03171	4.7
375.26859	5.5
377.21127	6.7
395.22284	8.6
395.53827	3.4
401.24652	12.4
405.20816	4.8
419.26053	18.1
423.21814	7.8
435.25638	5.6
437.26746	13.5
453.26508	37.3
454.26569	3.9
463.25110	22.5
464.25012	3.6
481.25983	13.7
507.23560	4.4
525.24951	100.0
525.32672	4.9
526.25415	10.3
554.63684	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24681	12.8
59.01386	100.0
67.83438	10.1
68.18832	11.7
69.03443	14.7
70.41584	24.7
71.01397	71.7
72.99312	15.3
74.28384	10.4
87.00900	60.0
89.02439	15.6
99.04531	20.7
113.02472	14.7
120.70262	11.2
125.02445	66.1
211.14890	11.4
272.19208	11.1
347.24207	13.4
373.22482	11.2
377.21140	16.8
381.25040	12.9
391.67267	12.0
393.20523	13.9
409.23926	26.1
453.22540	54.1
479.24335	15.9
481.26025	19.2
483.23553	18.6
507.23880	33.6
525.25012	98.6
525.31934	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47411	1.8
57.03448	5.9
59.01374	7.5
67.01910	2.2
69.03457	32.1
71.05025	3.0
71.30824	1.9
72.99324	1.9
73.02985	2.9
73.07832	1.9
79.05534	6.4
81.03457	4.8
83.01354	1.9
83.05032	39.1
85.02966	8.2
87.00896	2.2
93.03514	3.1
93.07089	2.8
95.05043	8.1
97.02962	26.0
97.06577	3.5
98.03774	2.5
99.04512	9.7
103.62759	1.8
105.65451	2.1
107.05036	8.3
108.02164	3.1
109.02960	5.7
109.06613	7.9
111.00877	4.8
111.08149	5.1
113.02471	29.3
115.04047	2.2
119.05060	2.6
119.08622	2.8
121.02934	2.2
121.06618	7.9
121.10238	1.9
122.03766	4.3
123.04514	4.5
123.08134	1.9
124.01692	12.0
125.02455	36.8
125.06042	4.1
127.04028	46.6
131.08696	3.2
133.06606	2.5
135.04482	13.7
135.08157	5.6
137.06094	42.3
138.03223	4.4
143.08540	2.1
146.03780	2.1
147.08157	5.9
147.82584	1.9
149.06123	5.9
149.09767	2.5
150.03264	2.4
151.04028	4.9
151.07698	2.4
153.05614	15.9
155.07126	3.1
157.10245	5.0
158.07425	2.0
159.08157	7.3
161.06133	2.0
161.09776	3.5
163.07680	3.6
165.01901	1.9
171.08208	3.3
173.06084	2.9
173.09750	3.8
175.07645	4.1
177.09236	2.0
185.09761	2.2
189.09267	2.9
191.10818	7.1
199.11238	3.1
211.11319	8.7
211.14899	9.9
225.12700	2.0
227.10759	2.5
227.14438	3.1
229.08678	4.3
229.12357	3.9
229.15941	5.4
231.13869	2.9
269.11575	2.4
281.19205	2.5
291.17346	2.8
293.15463	2.9
307.17047	11.2
307.20389	3.0
309.18478	3.0
331.20673	12.1
335.20026	2.5
345.18674	2.2
349.21643	11.4
351.15878	4.1
353.17993	2.0
355.19189	6.1
369.17081	27.9
371.18851	20.6
375.19525	5.2
377.21161	10.3
383.23651	5.5
389.21249	7.9
393.20734	28.3
394.20987	2.7
397.20306	11.8
401.25269	9.9
407.17999	2.4
411.21765	9.9
415.19092	8.5
419.21613	4.0
419.26315	5.4
427.22186	15.0
433.20148	7.3
437.23444	5.0
445.19556	5.2
445.24615	3.3
463.20734	8.5
463.25137	12.3
477.23111	3.7
481.22208	29.4
482.22369	3.2
489.22879	8.2
496.40533	2.4
507.24460	24.2
508.24265	4.3
525.25494	100.0
526.25171	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.25
Annotation	Applanoxidic acid C
Peak:m/z	Relative Intensity
57.03179	3.3
57.03449	9.4
59.01384	14.3
61.98822	13.4
69.03456	26.9
71.01378	10.1
71.05032	6.5
73.02932	4.4
74.50282	3.5
79.05530	6.4
81.03473	7.4
83.05035	63.3
84.05399	3.7
85.02975	8.1
87.00932	6.9
87.68447	3.4
95.05027	4.5
97.02967	30.0
97.06585	6.9
99.04507	5.0
101.02464	5.9
105.19164	3.6
107.05047	6.2
109.02973	6.6
109.06616	9.5
111.00872	4.1
111.08220	5.8
113.02455	28.2
115.04058	4.7
119.04976	3.6
121.06608	11.2
122.03762	5.2
122.48811	3.3
123.04501	4.1
125.02464	13.2
125.06113	4.0
127.04025	67.8
132.87508	3.7
135.04543	17.7
137.06107	16.8
139.07666	40.4
144.05827	4.4
147.08189	5.1
151.07640	6.8
153.05571	19.5
159.08165	7.5
160.67348	4.0
161.09734	5.1
163.11319	11.1
164.04826	7.4
165.05600	8.2
179.07164	4.5
179.10738	4.2
191.14427	13.4
197.11848	10.4
202.06386	3.7
209.11836	8.7
211.11349	10.8
211.14970	8.4
229.12344	5.0
229.16039	6.6
245.19101	9.8
253.09210	16.1
265.15967	4.8
276.47604	3.8
289.18121	99.6
307.17032	13.0
309.18857	7.2
315.14252	4.1
325.18033	4.1
331.20782	8.7
349.21820	12.7
369.17075	35.5
371.18710	22.8
375.19553	4.6
383.23502	7.4
393.20773	39.6
397.20175	14.2
401.24921	13.2
411.21729	12.0
415.97574	4.4
419.26392	6.1
423.27838	5.2
427.21783	22.0
445.24042	12.3
453.27264	5.7
463.25119	20.9
463.30539	7.0
471.21573	5.5
481.25833	4.3
481.31848	11.2
489.22867	11.0
507.23615	29.1
525.24768	100.0
526.25507	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.25
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	4.0
58.96439	2.8
59.01373	3.7
67.01884	4.7
68.99816	4.3
69.03469	24.7
70.14648	6.2
71.01373	6.2
71.05003	3.1
72.57875	2.8
83.05033	61.6
84.05408	2.7
85.02936	8.8
85.06557	3.2
87.00860	3.2
95.05021	4.9
97.02963	34.6
99.04498	3.9
107.05027	4.2
109.02940	6.7
109.06597	6.3
111.00885	8.1
111.08133	3.2
112.01677	3.2
113.02443	5.7
115.93820	2.8
116.16805	3.0
121.06591	8.2
123.04443	2.8
124.01648	11.2
125.02458	33.5
127.04020	54.5
129.05568	9.0
135.04539	4.1
137.06125	3.6
147.08185	5.3
149.06094	3.2
149.09724	5.0
150.03191	3.4
151.63942	2.6
153.05608	4.9
157.10254	4.4
159.11787	2.9
161.09698	4.1
163.07669	3.3
163.11391	4.1
165.05560	5.7
169.10359	2.7
171.11800	4.9
173.09668	4.3
189.09175	7.7
191.05418	2.8
194.30533	2.9
200.70935	3.0
210.10291	3.2
211.11301	29.4
211.14957	18.5
213.16515	3.8
215.74306	2.9
225.12930	6.6
255.14027	4.2
297.18579	4.8
309.18851	3.3
321.22165	5.5
325.18051	3.8
353.17752	4.0
371.18713	9.8
377.21191	4.3
383.23752	14.0
393.20432	3.5
397.20190	10.9
399.21942	4.0
401.24911	29.3
402.25290	4.3
419.26144	7.1
427.21790	9.5
445.23846	53.1
446.24261	6.0
463.24918	34.6
464.25101	3.8
481.25980	10.2
489.22824	33.1
490.23068	4.5
497.25159	4.0
507.23856	42.5
508.23837	6.1
525.24927	100.0
525.32837	6.0
526.25189	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.25
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.8
57.29378	1.1
64.68329	1.3
67.76459	1.1
69.03461	5.9
70.05822	5.6
71.01420	1.3
81.03479	7.1
83.05025	1.4
93.03502	1.6
97.02964	12.5
98.00095	3.7
99.04525	2.6
106.62831	1.1
107.05046	1.6
109.06603	3.1
111.08174	1.4
121.06602	6.2
123.08160	3.8
125.02451	8.4
137.06165	1.4
139.07649	5.3
148.77609	1.1
153.05547	4.4
157.10178	1.6
165.05502	1.5
175.11308	1.6
183.06651	5.8
243.13759	1.8
341.17435	7.8
357.25793	2.3
358.26489	1.3
375.26840	1.8
401.24966	1.8
419.25873	2.2
437.27054	13.3
438.27145	1.7
453.26468	1.8
463.24936	3.0
481.26270	8.3
507.24435	3.0
525.24921	100.0
526.25189	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28930	1.3
57.03460	7.2
59.01366	7.1
60.10604	1.1
61.98831	12.5
67.01881	2.7
68.99865	1.1
69.03101	1.6
69.03460	28.7
70.52077	1.2
71.01379	6.5
71.05013	5.6
71.20994	1.1
73.02946	3.5
78.90622	1.2
78.95914	1.2
79.05537	6.6
81.03466	9.8
83.01385	1.6
83.05029	84.6
84.05367	1.6
85.02966	7.5
85.06562	1.5
87.00873	2.3
87.04507	1.4
89.02425	3.1
93.03442	4.2
93.07077	2.5
95.05006	8.0
97.02957	26.0
97.06580	1.7
98.03753	3.4
99.04517	10.1
101.02438	4.6
105.07109	1.5
107.05015	7.8
108.02145	2.9
109.02949	4.1
109.06599	9.2
111.04527	3.5
111.08167	9.8
112.01644	3.4
112.07616	1.3
113.02461	37.3
115.03999	1.9
119.05049	2.1
119.08620	3.4
121.02903	1.7
121.06580	5.6
121.10249	1.9
122.03787	1.2
123.04490	2.9
123.08117	2.1
125.02486	5.8
126.03204	2.7
127.04026	100.0
128.04286	2.0
133.06566	3.0
135.04546	18.3
135.08153	3.1
137.05139	1.5
137.06094	17.5
139.07622	7.2
143.03395	1.7
144.05771	1.9
145.06596	1.4
147.04527	3.7
147.08167	4.1
148.05295	1.7
149.06062	4.3
149.09648	4.3
151.07637	1.8
153.05589	27.8
154.06029	1.7
155.07143	3.5
157.06561	2.1
157.08644	3.0
157.10158	1.2
158.07367	1.4
158.14842	1.5
159.04521	1.2
159.08113	7.1
159.11699	1.2
161.04652	1.4
161.06076	4.2
161.09587	1.5
163.07611	4.4
171.08177	2.6
171.11842	1.9
173.06134	1.9
173.09650	2.8
175.07605	4.6
177.09192	3.3
185.09686	3.5
187.07567	1.8
189.09204	3.4
201.09140	3.7
209.13329	3.1
211.11354	6.6
211.14915	11.4
213.09193	2.3
215.10703	1.5
225.12860	3.7
227.10748	2.8
227.14372	5.2
229.12268	2.9
229.15962	12.5
237.16435	1.5
249.16447	1.8
255.13960	1.7
261.12662	1.8
263.14258	1.6
265.16003	3.5
269.15344	2.0
279.17447	1.6
280.83646	1.2
289.16135	1.8
289.19812	1.8
291.13849	3.8
291.17459	8.7
292.14566	1.6
292.17950	1.3
295.13400	1.8
301.15207	1.5
305.15414	1.7
305.19034	1.6
306.16141	3.6
307.16998	11.0
307.20667	5.8
309.18555	6.2
315.17310	2.0
317.19098	1.7
325.17853	2.2
327.19662	3.7
331.20767	9.8
333.18402	2.4
335.20129	3.5
349.21790	18.8
350.22189	2.5
351.15839	4.1
351.19711	2.1
353.17719	4.0
368.21442	1.8
369.17093	21.0
370.17407	1.7
371.18646	30.4
375.19763	8.0
375.26813	1.7
377.21472	1.3
383.23813	6.3
393.20740	39.0
394.20959	3.3
397.20132	15.9
401.24911	11.4
409.19751	1.3
411.21689	11.3
419.26071	11.3
427.22281	13.2
445.23874	10.2
447.51172	1.3
463.25049	21.2
464.25290	1.7
471.22296	2.4
479.32196	4.0
481.25677	5.8
489.22824	10.2
507.23880	20.6
525.24799	99.8
526.25262	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58745	1.0
57.03438	1.1
59.01379	1.3
61.98833	8.2
67.01891	1.2
69.03460	8.1
69.45141	4.2
69.45538	2.2
71.01382	2.5
76.48120	1.2
83.05037	6.8
85.02948	3.8
88.74821	1.1
90.35829	1.1
95.05059	1.0
97.02974	6.8
97.06637	1.6
107.05019	2.5
109.02981	1.3
109.06718	1.3
111.00889	9.1
111.67552	1.0
112.01666	2.7
113.02448	2.8
121.06579	2.5
123.00934	2.1
123.08160	1.4
124.01691	17.5
125.02458	18.8
125.06037	1.4
132.45665	1.0
133.06647	1.5
140.01157	2.6
147.08147	1.9
149.09708	2.0
151.04021	5.6
152.04828	1.8
153.05586	2.1
157.10225	1.5
159.08223	1.9
162.60199	1.1
163.11179	1.1
166.35048	1.1
171.11743	1.1
197.06039	2.8
211.11272	2.8
211.14919	4.4
213.05521	2.3
213.16441	1.0
223.11232	0.9
225.05595	4.5
240.08000	3.0
241.05104	4.3
249.78732	1.1
256.07495	6.2
271.09781	16.4
299.17929	1.0
321.22226	1.6
371.24136	2.1
383.23651	3.2
389.24789	1.9
395.22510	1.1
401.25003	3.4
415.23019	1.6
419.25946	1.3
427.21881	1.4
433.23990	1.6
445.23953	4.8
451.24814	3.6
463.24979	9.1
477.22681	1.4
481.25656	1.2
489.23047	3.3
495.23599	1.4
507.23987	27.0
507.31573	1.4
508.24277	3.1
525.24957	100.0
526.25415	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98425	1.1
55.01867	1.5
56.11178	1.1
57.03449	2.3
59.01092	2.5
59.01383	44.8
60.97434	1.2
61.98843	9.8
65.87071	1.2
69.26028	11.0
70.44666	1.1
71.00982	1.6
71.01382	33.2
72.99295	1.7
73.02962	12.0
75.00885	1.4
78.45376	1.1
79.38801	1.2
83.01395	5.6
85.02955	18.1
85.85537	1.2
87.00890	1.3
89.02438	7.0
95.01408	2.0
95.70748	1.4
97.03023	1.9
99.00891	5.1
101.02444	31.0
101.32542	1.2
113.02463	13.9
119.03524	1.9
129.01970	1.7
131.03519	11.2
143.03500	3.6
159.02983	1.6
161.04559	16.8
188.66997	1.3
191.05676	2.0
243.03163	1.1
300.02789	2.9
333.19202	100.0
334.19519	5.2
361.18872	2.7
408.58554	1.3
463.08807	2.1
465.23428	23.5
525.24219	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.0
58.00602	1.6
58.73663	1.3
59.01386	75.0
61.98825	6.4
69.12203	2.9
69.12616	10.8
71.01388	48.3
71.50269	1.4
72.99302	2.6
73.02953	5.9
83.01388	3.3
85.02954	8.1
89.02458	66.3
89.74671	1.4
95.06491	1.4
99.00902	5.3
101.02454	32.8
109.02938	3.8
113.02462	8.4
114.09047	1.6
119.03495	5.3
121.02962	9.6
125.02458	8.9
129.01884	1.5
131.02556	2.5
131.03516	47.7
135.04512	3.4
137.02438	2.9
145.02910	2.0
149.04570	57.5
151.04039	2.4
152.07217	1.4
161.02467	2.7
166.06366	36.5
167.06848	1.4
173.47610	1.3
175.03946	1.4
181.08731	17.3
191.05647	30.6
209.06073	3.0
211.04013	2.9
212.04906	3.9
213.05656	1.5
227.07190	3.8
237.05560	6.2
239.03470	2.7
240.04324	49.0
241.04807	2.9
251.07637	2.4
253.05019	2.1
254.05899	4.4
255.06667	15.4
256.88770	1.6
264.04129	1.4
265.05032	9.7
269.08218	3.7
270.08914	5.0
281.08588	1.5
283.06125	21.1
284.06567	2.1
295.06033	2.0
296.10629	2.0
297.07813	3.7
298.05072	2.7
298.08508	53.0
299.08893	2.8
311.09579	2.3
313.10840	100.0
314.11218	8.4
325.10736	1.8
328.09424	2.3
333.13382	2.4
343.11923	27.1
344.12180	3.0
462.17041	1.9
463.26135	2.4
477.19235	9.9
481.27841	2.4
487.25787	2.0
495.20361	2.6
525.20361	12.1
525.31396	2.3
526.28424	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.9
57.03433	1.4
58.00595	2.7
58.81442	0.7
59.01383	100.0
61.72246	0.8
61.98829	9.2
69.21970	7.1
71.01388	46.3
72.77903	0.7
72.99300	2.8
73.02953	4.7
75.00884	1.0
83.01395	3.0
85.02958	9.1
87.00891	2.6
89.02451	59.6
95.01418	1.9
98.22523	1.8
99.00894	4.6
101.02448	31.2
113.02460	13.7
119.03512	12.4
125.02489	2.2
129.01978	1.3
131.03513	39.7
132.03833	0.8
143.03508	3.5
149.04573	34.6
161.04553	6.7
171.06619	0.7
173.04686	1.0
179.05635	18.8
191.05617	25.5
192.06035	1.1
198.01826	0.8
221.06680	2.6
251.07710	2.2
293.08652	1.0
311.10187	1.0
325.33466	0.9
331.17679	1.3
332.17902	1.8
333.19205	12.8
334.19290	0.8
361.18774	1.4
435.57635	0.9
465.23364	12.7
471.36215	0.8
507.27634	1.2
525.21753	1.7
525.28992	10.3
536.55933	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.5
57.03439	3.8
59.01383	75.4
61.98829	1.4
70.67262	2.3
70.67593	1.7
71.01387	50.6
72.99297	1.9
73.02950	11.0
74.99107	2.0
75.48752	1.1
82.02998	2.9
82.95409	1.6
83.01395	6.1
85.02956	21.0
87.00869	2.0
89.02444	15.2
95.01395	3.4
97.02919	1.3
99.00890	7.7
101.02450	36.5
106.79749	1.3
112.09882	1.1
113.02456	20.3
119.03510	4.1
125.02503	2.4
131.03505	34.4
134.03783	1.4
135.04494	2.2
143.03497	1.3
146.03789	1.3
149.06139	1.7
159.02979	3.7
161.04567	33.1
165.05562	1.3
167.07135	5.9
179.05681	2.0
179.07188	3.7
191.05635	3.8
262.07101	1.3
287.10287	2.0
313.08270	1.8
315.12341	2.7
331.09680	1.5
333.19189	100.0
334.19534	6.1
347.17331	1.4
377.18143	3.7
465.23407	32.8
466.23837	2.9
466.32587	1.2
525.17285	4.1
525.29199	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98425	1.1
55.01867	1.5
56.11178	1.1
57.03449	2.3
59.01092	2.5
59.01383	44.8
60.97434	1.2
61.98843	9.8
65.87071	1.2
69.26028	11.0
70.44666	1.1
71.00982	1.6
71.01382	33.2
72.99295	1.7
73.02962	12.0
75.00885	1.4
78.45376	1.1
79.38801	1.2
83.01395	5.6
85.02955	18.1
85.85537	1.2
87.00890	1.3
89.02438	7.0
95.01408	2.0
95.70748	1.4
97.03023	1.9
99.00891	5.1
101.02444	31.0
101.32542	1.2
113.02463	13.9
119.03524	1.9
129.01970	1.7
131.03519	11.2
143.03500	3.6
159.02983	1.6
161.04559	16.8
188.66997	1.3
191.05676	2.0
243.03163	1.1
300.02789	2.9
333.19202	100.0
334.19519	5.2
361.18872	2.7
408.58554	1.3
463.08807	2.1
465.23428	23.5
525.24219	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.271
Annotation	Chlamydocin
Peak:m/z	Relative Intensity
50.23568	1.8
51.39972	1.7
59.01384	51.2
61.23443	1.6
61.98836	6.9
69.03454	10.3
71.01370	5.5
71.05011	3.5
72.99297	4.5
73.02976	1.9
74.77081	2.1
75.24688	2.0
78.95912	3.1
80.02699	3.5
81.03468	3.9
83.01404	2.5
83.05038	12.3
84.02162	3.0
87.00857	3.2
95.05021	3.3
97.02937	5.5
97.06585	4.0
99.04498	3.4
101.02459	3.2
109.06606	3.0
123.08212	3.7
125.09743	8.3
139.07617	3.4
151.11304	8.2
161.09749	12.0
163.11327	7.2
165.12863	5.3
179.10793	35.1
180.11185	2.9
185.11946	3.7
191.05559	3.7
191.10751	2.2
197.11841	100.0
198.12251	2.9
209.11858	84.7
210.12245	3.9
221.11673	2.4
223.09811	6.7
227.12877	12.1
241.10909	16.7
274.52863	2.0
289.18030	10.5
297.13428	9.0
315.14532	27.6
479.24112	2.3
481.25824	3.0
481.31906	4.8
507.24930	3.2
514.50732	2.1
525.27014	83.6
526.27179	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2863
Annotation	5-Ketomilbemycin A3
Peak:m/z	Relative Intensity
57.03449	1.5
69.03464	5.3
69.21890	5.5
71.01385	1.2
73.61639	0.5
76.96438	0.6
78.95919	0.9
83.05047	2.2
85.02962	1.1
95.05065	1.7
97.02962	15.4
97.06621	1.8
98.03767	1.0
98.21809	1.5
99.04533	3.8
101.06858	0.8
105.07101	0.5
107.05040	1.3
109.06635	1.9
110.03738	0.8
111.00935	0.6
111.04513	0.6
111.08144	0.8
113.53645	0.8
119.08717	1.8
121.03011	1.5
121.06582	4.2
123.03696	0.6
123.04591	1.9
123.08187	1.4
123.75085	0.7
125.02456	0.6
125.06194	0.9
125.09728	4.4
126.03234	4.1
127.04088	1.7
129.54300	0.6
133.06660	0.9
135.08194	2.1
137.09734	5.0
138.03302	1.1
138.06940	1.8
139.07710	2.4
149.09793	2.0
152.99670	0.7
153.05585	4.8
153.09279	1.9
187.11263	0.6
207.27039	0.8
271.20779	1.5
279.62350	0.8
299.20160	5.2
341.17679	0.7
343.18933	1.4
372.95944	0.7
419.26276	0.7
437.27344	1.7
463.29431	0.9
481.30038	8.4
482.30090	0.9
507.24164	0.8
525.28906	100.0
526.29260	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73544	1.0
57.03454	1.3
59.01379	1.8
61.98835	2.4
68.99824	1.5
69.03467	2.6
71.01400	1.3
71.05030	1.6
73.02972	3.7
83.05030	5.0
85.02909	1.3
87.00901	6.5
89.88841	1.0
95.01422	1.9
95.05067	1.9
97.03001	4.6
98.21758	2.4
99.04546	1.9
101.02424	1.5
107.05096	1.2
107.16776	1.0
109.02985	2.0
109.06647	1.7
111.04550	1.9
113.02473	1.2
121.06657	1.3
121.11235	1.0
122.03819	1.5
123.00905	22.1
124.01703	5.2
125.02462	5.6
125.06096	1.8
127.04072	3.8
135.04565	1.6
135.08223	1.1
136.05367	1.1
137.02466	14.6
137.06111	1.8
137.09781	1.1
138.03281	4.4
139.07639	6.6
149.09766	1.3
150.03252	1.7
151.04030	1.5
151.07690	1.5
153.05611	2.5
155.10818	1.3
170.02245	2.5
171.10208	1.0
173.09573	1.3
179.07175	2.2
185.11909	2.7
188.85944	1.2
189.09258	1.9
209.12004	1.7
211.11325	2.1
231.13873	1.6
243.16046	2.9
354.74637	1.0
371.18759	1.8
397.20685	1.4
401.25031	1.3
423.27631	2.3
445.25177	3.4
463.27057	59.6
464.27341	6.5
481.28006	6.7
489.28848	3.7
507.23984	3.0
525.25385	7.6
525.31030	100.0
526.24683	2.1
526.31409	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01700	1.4
60.38237	1.1
64.77576	1.6
70.05087	3.0
70.05483	3.2
85.10213	1.3
126.14391	1.3
136.03983	1.4
165.07484	1.5
181.57706	1.8
451.28207	2.1
465.29922	3.2
525.28137	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.9
61.98831	100.0
64.31969	3.1
69.63863	2.9
71.01397	4.2
73.30272	2.9
74.03918	2.9
75.60359	3.2
75.60809	4.0
96.37340	3.0
101.02456	4.8
131.03484	4.1
151.00409	9.2
178.99965	3.5
179.07188	4.2
243.02986	7.9
255.03110	17.7
271.02505	44.9
272.03116	4.3
300.02765	86.6
301.03442	31.1
333.19305	6.5
334.19846	3.5
463.08865	94.7
464.09204	4.1
527.18250	3.6
534.45856	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.0
61.98833	100.0
69.19569	3.3
71.01398	2.7
73.02962	0.9
84.68140	0.4
85.02975	0.9
87.00890	0.4
89.02499	0.3
92.11753	0.4
94.03864	0.4
98.22483	0.6
101.02480	1.5
105.03099	0.4
113.02495	0.8
131.03520	0.9
151.28436	0.4
161.04631	0.9
163.05022	0.4
167.07117	0.5
179.07246	0.8
191.05679	0.7
223.57205	0.4
331.17780	0.6
332.17859	2.2
333.18204	2.2
334.18515	2.6
466.22711	2.4
545.21667	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86055	0.4
56.17257	0.4
57.58015	0.3
59.01366	0.9
60.29719	0.4
61.98834	100.0
67.30753	0.4
70.33665	1.1
71.01380	0.7
87.00868	0.6
89.02414	0.4
121.02981	0.9
122.03330	0.9
129.65222	0.4
149.02452	2.6
150.02901	1.2
157.62462	0.4
164.04854	1.7
165.05165	1.7
166.06387	2.5
167.06718	0.9
179.07193	1.7
180.07509	1.6
181.08760	1.7
182.09079	0.9
233.11917	0.6
302.07462	0.6
334.19281	0.8
343.11758	0.8
344.12329	1.4
364.14963	1.0
488.18256	0.6
526.21680	2.1
547.21570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11379	0.5
59.01382	2.0
61.98836	100.0
66.00568	0.5
69.20775	4.4
71.01385	2.6
72.99322	0.7
73.02967	1.4
81.51767	0.6
85.02981	1.0
89.02457	1.2
97.02968	1.0
99.00921	0.6
101.02486	2.2
109.05936	0.6
113.02624	0.5
140.79204	0.6
156.66249	0.6
156.99576	0.6
161.04626	1.1
233.15573	0.8
395.21030	1.1
431.77209	0.6
435.50247	0.6
503.39886	0.6
526.25122	1.1
527.25574	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44094	0.7
54.14735	0.6
59.01386	1.4
60.88063	0.7
61.98836	100.0
69.22495	4.9
71.01388	2.2
73.02971	0.7
85.02981	0.7
89.02432	1.5
97.02971	1.0
100.21822	0.7
101.02458	1.1
125.02490	0.8
138.19345	0.7
151.05371	0.8
233.15427	1.1
285.35681	0.8
292.01788	0.7
331.26935	0.7
395.20938	0.9
440.42990	0.7
483.28461	1.0
492.14355	0.8
510.58331	0.8
527.25690	3.2
527.32916	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21318	11.1
51.62551	9.8
68.99929	100.0
81.67230	12.8
87.58755	11.4
93.69832	12.0
98.22558	20.9
113.28635	10.5
379.50665	12.5
419.57587	13.8
435.28983	14.0
436.29404	15.7
467.31729	21.6
479.28040	28.9
486.25247	10.9
541.88025	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	42.8
61.98820	35.7
71.31827	12.2
73.66521	16.6
81.94589	14.3
95.07580	13.9
97.02971	17.0
99.04552	20.6
113.06099	37.5
119.67209	14.2
123.08106	16.5
124.15803	14.5
137.09731	36.3
139.07666	69.4
153.05574	23.8
218.46118	14.5
252.06837	17.3
310.85349	15.1
367.55975	16.8
394.92242	17.6
465.26721	34.1
483.27856	85.1
526.32129	66.1
527.26337	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	10.6
61.98842	14.0
69.12422	100.0
99.04536	40.1
100.83914	9.4
126.65737	9.9
150.35678	9.3
334.53064	12.4
363.19443	10.3
548.18445	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
64.71899	7.8
65.80210	8.2
69.04875	100.0
73.50722	8.7
86.36341	8.9
87.98189	9.3
98.03378	8.2
98.21797	21.3
154.65176	9.1
185.92212	10.0
201.61734	9.4
247.20285	9.6
339.59296	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45781	3.3
59.01371	5.0
61.98833	10.4
69.94711	3.3
70.35677	11.2
76.34510	3.1
85.60155	3.0
109.02949	4.0
146.52943	3.6
153.05562	6.2
178.66043	3.6
303.50491	3.6
367.72861	4.8
481.25919	5.6
483.31259	100.0
484.31790	9.9
526.24841	6.1
527.26898	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98809	34.1
89.79864	19.7
97.24590	19.9
98.21695	29.3
136.94855	23.6
138.42262	21.7
153.05627	23.6
171.06915	23.8
213.14476	22.9
229.27795	28.2
487.41003	27.6
508.31183	38.6
520.62134	23.1
521.85248	23.2
526.32654	100.0
527.25897	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08343	3.9
55.85913	3.1
59.24073	3.5
61.98851	6.2
62.04307	3.5
69.03477	4.4
69.09577	3.9
69.09925	28.2
81.03476	8.1
83.05048	4.7
90.41374	4.2
97.02965	6.0
99.04498	5.2
100.99197	3.6
109.06454	3.8
121.06618	5.4
125.02489	7.5
138.76299	3.4
139.07681	3.4
152.93312	3.3
183.06671	7.8
198.68871	3.9
224.67993	4.0
342.17856	6.9
437.26614	3.6
438.27405	14.9
482.25937	7.4
526.25317	100.0
526.33057	5.2
527.26031	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
59.01388	10.3
61.98835	100.0
62.92534	0.7
69.03457	1.7
71.01395	12.9
72.99327	1.4
73.02963	2.9
83.01396	1.4
85.02975	3.4
85.26817	0.7
87.00892	1.4
87.88898	0.7
89.02448	13.1
95.05059	1.1
97.02988	2.6
98.21896	3.1
99.00925	1.2
101.02447	5.2
106.02976	0.8
111.00934	1.1
113.02463	2.2
125.02454	4.8
125.09756	2.1
131.03543	3.5
137.06187	1.0
139.07718	1.6
149.04578	4.5
151.07745	1.3
153.09273	0.7
161.04555	1.8
173.04575	0.8
187.15001	2.0
188.15297	1.0
191.05708	2.9
231.14021	2.7
232.14345	3.0
233.06749	1.5
233.15480	60.2
247.56645	0.8
258.84253	0.7
275.16272	0.7
293.08905	5.0
304.87714	0.9
321.17386	0.7
357.27344	0.9
364.98819	0.8
380.80423	0.7
381.22870	2.1
463.30524	0.8
482.32416	1.4
483.34097	1.1
526.25024	6.4
526.30969	1.0
527.26978	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
69.03473	0.5
69.75208	1.8
71.01378	0.9
73.02946	0.5
73.03590	0.4
83.05022	0.4
85.02949	6.9
87.00883	1.5
93.03461	5.6
96.96008	0.4
109.02966	1.1
111.04510	1.3
123.04581	0.9
127.04040	1.6
133.02983	1.3
135.04538	18.8
137.02484	0.5
155.03497	0.5
161.02452	5.4
171.02898	0.5
173.04567	5.8
179.03514	12.6
189.09212	0.5
191.05627	100.0
192.05980	2.6
211.07683	1.1
229.08720	1.3
247.09859	1.3
252.62115	0.4
265.10791	1.0
291.08826	1.2
309.09918	1.4
335.07797	1.2
353.08823	13.7
354.09109	1.0
407.03046	0.5
429.08694	0.5
483.15125	1.5
527.14087	19.8
528.14655	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00464	0.7
51.20628	0.7
55.01872	1.0
57.03434	1.0
59.01367	1.7
61.98824	1.0
69.33453	6.0
71.01372	2.6
71.79177	0.8
72.99323	0.7
73.02950	13.2
81.03461	2.5
83.05030	5.3
85.02929	3.9
87.00870	1.1
89.02464	1.0
93.03464	37.7
96.95993	1.0
97.41090	0.7
99.00896	5.3
99.04519	4.1
101.02402	1.3
109.02962	2.5
111.04530	17.0
121.03027	1.1
121.77118	0.7
125.02489	1.6
129.01926	2.0
133.02974	2.5
134.03745	2.9
135.04536	100.0
136.04868	3.7
137.02475	9.7
143.03516	2.5
151.03958	1.3
155.03523	9.1
156.90343	0.9
173.04556	86.8
174.04924	1.9
179.03510	29.1
189.48065	0.9
191.05603	4.5
197.04616	1.5
239.20407	0.9
284.75330	0.9
353.08655	18.0
404.44989	0.8
527.14154	12.3
528.14685	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01096	0.9
59.01383	14.9
61.98824	2.3
67.01893	1.7
67.95012	0.7
71.01380	2.0
71.29224	1.5
73.02955	1.1
76.81796	0.7
78.95888	0.8
83.05037	0.8
85.02963	5.1
87.00899	1.2
93.03462	14.0
96.96005	0.8
98.22468	0.8
99.00867	0.9
99.04482	1.0
101.00917	0.7
101.02447	0.8
104.44355	0.7
106.40114	0.6
107.05051	2.9
109.02968	2.9
111.04536	5.1
116.70300	0.9
121.02998	1.1
122.03761	1.4
123.04510	2.5
125.06101	1.9
127.04017	1.3
133.02998	1.3
134.03775	2.8
135.04535	100.0
136.04860	2.6
137.02454	4.6
149.06041	1.1
155.03505	3.4
161.02473	2.2
161.06128	0.7
173.04558	43.6
173.05881	1.5
179.03503	66.4
180.03825	2.0
183.01443	1.0
187.07617	1.3
189.09108	0.9
189.96661	0.7
191.05615	37.6
192.05862	1.0
209.06285	1.0
210.06783	0.8
211.07655	11.0
212.08011	1.0
225.56383	0.8
229.08708	6.3
230.08980	0.8
243.03642	1.0
243.06432	0.7
245.03493	1.1
247.09814	5.8
250.05116	1.4
255.04185	0.7
255.06633	3.3
264.06677	1.0
265.10855	5.6
273.07736	1.8
285.49191	0.7
291.08813	3.1
291.98718	0.7
309.09723	10.9
309.12708	1.5
335.07336	1.2
353.08740	72.2
354.09012	4.0
483.15503	0.8
491.11783	0.9
509.13135	1.2
527.02673	1.3
527.05450	1.3
527.14026	17.5
528.14471	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83798	0.4
59.01375	2.4
70.68214	1.0
71.01369	2.1
73.02943	0.6
73.15781	0.4
80.18589	0.4
80.70941	0.3
81.03453	0.8
84.59888	0.4
85.02953	10.2
87.00886	1.7
89.02444	0.7
89.05917	0.4
93.03461	6.2
95.01383	0.4
101.02428	0.5
108.02173	0.5
109.02960	9.4
111.04534	1.8
113.02461	0.6
121.02970	9.6
122.03811	0.4
123.04498	0.9
125.02454	0.4
126.06393	0.4
127.03988	1.7
133.03020	0.5
135.04530	4.6
137.02454	0.7
144.04567	1.4
149.02496	0.6
150.03210	1.0
152.82188	0.4
155.03477	1.4
157.05353	0.5
158.06116	1.5
162.31497	0.3
170.06114	1.0
171.03012	0.5
171.06900	1.1
172.06427	0.8
173.04555	3.4
175.08611	0.4
178.02695	0.4
184.07614	1.0
187.08765	6.3
191.05615	100.0
192.06009	2.9
200.09557	1.1
213.06609	0.7
257.69690	0.4
263.05847	0.6
264.06656	1.3
265.07367	1.8
290.04608	0.7
291.05313	3.2
304.06107	0.6
309.12457	28.9
310.12881	1.8
335.10364	21.2
335.16934	0.8
336.10703	2.0
353.11484	1.4
527.16565	1.0
528.17493	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20062	0.8
54.48783	0.9
56.84628	1.1
59.01380	1.7
61.98840	0.9
65.39304	0.9
67.01881	1.4
69.79612	3.7
71.01370	2.9
73.02949	1.9
76.25726	0.8
81.03456	1.5
85.02953	10.0
87.00870	2.7
89.02464	1.1
93.03468	8.3
94.26698	0.8
99.04536	1.3
108.02168	1.0
109.02969	4.0
111.04533	5.4
116.89935	1.0
121.02956	1.1
125.02468	2.0
127.04031	2.6
133.03009	1.1
134.03754	2.4
135.04538	53.7
136.04787	1.1
137.02454	2.5
147.04517	1.0
152.01175	1.6
155.03497	3.6
161.02434	4.2
164.70218	0.9
167.03416	1.8
171.03087	1.0
173.04562	9.1
175.04034	1.0
175.08821	1.2
179.03517	23.9
186.19470	0.9
190.02682	3.4
191.05637	100.0
192.03198	1.5
192.05922	5.0
231.02888	1.4
247.06351	2.6
248.07179	3.8
249.04163	2.6
250.04625	2.9
251.04697	2.1
258.83878	0.8
260.07181	1.7
260.43356	0.8
261.08047	1.3
262.08682	3.3
263.05923	0.9
265.07425	2.3
276.06549	1.0
278.08167	1.6
291.05002	1.0
291.11420	6.5
293.07120	1.3
309.12500	17.3
333.06149	2.5
334.06451	3.3
335.06772	3.7
335.10394	24.7
336.10718	1.4
351.07077	2.0
352.07516	2.2
353.08087	13.1
353.12006	54.2
354.12094	4.7
479.84799	1.0
527.17169	17.2
528.17255	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01596	11.6
59.01383	58.2
61.98818	49.6
69.41816	24.5
69.42217	40.3
69.57194	11.7
71.01378	39.1
71.49241	12.0
76.52692	10.5
79.09641	12.2
87.66041	12.4
89.02457	70.2
89.05928	10.9
101.02488	18.3
113.02419	17.2
118.70338	10.9
131.03487	23.4
149.04596	14.0
283.09698	13.5
311.09296	50.1
326.11703	54.8
341.13953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43579	7.5
59.01383	41.6
61.98840	100.0
66.92469	6.9
69.10888	58.9
71.01392	32.1
73.95776	6.2
78.95873	6.8
85.02943	8.3
89.02435	32.7
96.96987	7.7
97.03008	6.5
101.02464	23.9
113.02473	11.2
116.92822	8.8
121.02943	6.1
125.02467	10.0
149.02431	7.2
149.04553	17.2
150.03224	9.7
151.03690	7.0
161.04538	8.5
177.31055	6.1
191.05533	10.1
347.18652	8.9
479.19812	25.7
527.06891	7.8
527.18243	9.1
527.25409	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24078	0.5
57.03450	0.6
59.01379	1.4
61.98819	2.7
63.96224	0.6
66.92612	0.6
69.03473	0.6
70.62027	1.6
71.01388	8.5
73.02935	1.6
75.00864	1.7
78.98597	4.8
79.57223	0.6
79.95743	10.5
80.96523	58.2
83.01412	0.8
83.05016	0.7
85.02952	3.2
87.00867	2.3
89.02413	0.9
94.98093	13.1
95.01342	0.6
96.96013	1.5
97.02945	1.7
98.12311	0.6
99.00881	1.0
101.02463	4.1
106.98091	1.9
113.02394	0.7
119.32593	0.6
122.97593	6.0
125.02479	3.5
134.97594	3.8
136.99159	1.5
148.99127	5.5
152.98645	6.1
158.42145	0.6
164.98640	8.6
173.04527	0.9
182.99684	1.9
206.99695	2.6
209.11850	3.0
219.71252	0.6
225.00745	18.1
226.01050	0.6
243.01791	1.3
258.85013	0.6
289.60297	0.6
299.04373	2.3
315.64081	0.6
395.03006	0.6
527.18036	100.0
528.18542	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29534	2.1
53.14840	2.0
57.03449	4.9
59.01379	17.7
60.99315	17.4
61.98833	86.5
69.03428	4.5
69.34657	6.4
69.35078	11.2
71.01367	9.7
71.04999	3.4
73.02923	6.5
78.19847	2.2
78.44129	2.1
78.95929	3.6
83.05001	2.7
85.02952	5.8
87.00876	4.8
88.98811	100.0
89.02447	29.1
89.43818	1.9
90.61383	2.4
95.01341	2.4
95.05037	2.1
97.02935	4.8
99.04512	9.1
101.02457	6.4
102.98603	2.9
107.05009	2.8
109.02944	2.8
109.06570	4.6
112.93182	2.1
113.02431	3.9
120.99661	16.9
121.02926	2.7
121.06587	3.2
125.02425	2.6
137.06056	4.9
137.09723	5.1
139.07635	3.2
149.06058	2.4
151.07684	4.7
161.04623	5.2
162.06822	3.0
167.07043	2.3
181.08447	2.0
187.11369	4.9
191.05537	4.9
193.12383	2.8
197.14642	2.5
203.14276	3.1
204.11505	3.0
227.14407	2.6
263.12808	8.4
325.06876	2.2
329.13971	6.1
365.19644	23.7
465.11926	3.0
465.27499	4.4
469.74460	2.3
483.27585	14.7
527.26288	76.6
528.26740	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29534	2.1
53.14840	2.0
57.03449	4.9
59.01379	17.7
60.99315	17.4
61.98833	86.5
69.03428	4.5
69.34657	6.4
69.35078	11.2
71.01367	9.7
71.04999	3.4
73.02923	6.5
78.19847	2.2
78.44129	2.1
78.95929	3.6
83.05001	2.7
85.02952	5.8
87.00876	4.8
88.98811	100.0
89.02447	29.1
89.43818	1.9
90.61383	2.4
95.01341	2.4
95.05037	2.1
97.02935	4.8
99.04512	9.1
101.02457	6.4
102.98603	2.9
107.05009	2.8
109.02944	2.8
109.06570	4.6
112.93182	2.1
113.02431	3.9
120.99661	16.9
121.02926	2.7
121.06587	3.2
125.02425	2.6
137.06056	4.9
137.09723	5.1
139.07635	3.2
149.06058	2.4
151.07684	4.7
161.04623	5.2
162.06822	3.0
167.07043	2.3
181.08447	2.0
187.11369	4.9
191.05537	4.9
193.12383	2.8
197.14642	2.5
203.14276	3.1
204.11505	3.0
227.14407	2.6
263.12808	8.4
325.06876	2.2
329.13971	6.1
365.19644	23.7
465.11926	3.0
465.27499	4.4
469.74460	2.3
483.27585	14.7
527.26288	76.6
528.26740	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
61.66747	20.8
66.25825	19.9
89.38387	20.3
102.96744	21.4
104.31354	20.0
110.12971	21.0
177.51143	23.7
233.15466	29.2
291.19562	23.3
406.33923	23.3
527.21838	100.0
527.27502	46.4
528.22217	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83467	1.9
53.69774	2.1
53.76435	1.9
57.03444	5.7
59.01388	25.4
69.03454	8.7
70.62518	5.1
71.01376	5.1
83.01390	6.8
85.02956	3.4
89.02478	3.8
93.07114	17.4
95.05031	5.4
97.02955	35.0
99.04530	7.1
107.05071	3.3
109.02959	6.4
111.04502	3.1
119.08672	3.4
121.03000	3.0
121.06596	7.0
122.03748	4.7
125.02467	2.7
130.52724	2.2
131.08675	4.4
135.08276	2.4
137.06096	24.0
139.07639	2.5
145.10262	2.9
146.21632	2.8
147.08095	5.2
147.11807	10.3
149.06105	8.7
151.07625	5.6
157.06609	5.4
159.11800	9.7
161.09799	4.2
163.07655	5.6
163.11368	2.8
173.09743	6.7
173.13309	3.5
175.11224	4.2
185.06084	2.2
185.09612	2.8
187.04095	2.5
189.09242	3.9
191.10809	13.4
197.06035	2.6
199.07649	5.5
200.04791	2.6
201.09198	6.3
201.12897	4.9
203.10811	12.5
204.04227	5.3
211.11221	2.9
213.09245	6.0
215.10756	2.4
222.06125	2.4
226.06302	2.7
228.07928	2.3
233.15504	19.5
235.11385	2.7
239.10770	6.4
243.10149	11.7
255.10257	17.9
256.11047	5.1
257.11847	5.0
279.14133	3.2
287.09415	4.2
291.14124	2.7
307.17181	3.3
309.14975	2.6
319.20560	3.1
327.17719	3.7
333.18631	3.7
335.23895	3.0
343.20807	5.2
345.18787	3.6
349.17816	2.6
359.24060	3.0
361.21863	5.5
370.19208	2.9
371.16202	3.2
375.23157	3.7
377.24933	9.5
385.21823	21.5
388.19720	2.3
389.17630	9.8
403.22916	26.7
404.23248	3.2
405.20450	3.0
421.23956	10.1
429.20703	39.7
430.21045	3.9
433.16727	10.1
447.15518	4.9
447.21793	100.0
448.22073	10.1
463.21246	2.9
465.22864	19.8
466.23145	2.4
473.19543	5.4
491.20877	28.7
492.21216	3.4
509.21622	22.6
510.22458	2.7
527.22748	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80416	1.8
59.01385	11.6
66.28928	1.8
66.37083	1.7
69.03454	3.5
71.01367	3.6
71.05010	2.0
72.99299	2.0
83.01394	4.7
85.02976	2.9
87.00874	6.6
93.03439	2.8
93.07085	6.9
95.05038	6.0
97.02953	20.4
97.06569	2.5
98.21967	11.9
98.22637	4.0
99.04531	4.6
100.49324	2.1
107.05070	3.5
109.02934	5.2
109.06567	2.3
118.87767	1.9
121.06601	4.7
122.03748	3.6
123.08163	2.1
137.06110	18.6
139.07669	2.5
141.98813	1.8
145.02995	2.1
145.10213	2.1
147.08165	3.3
147.11804	5.5
149.06082	3.5
149.09732	2.2
151.07640	5.8
157.06609	2.4
157.10291	2.5
159.11810	7.6
161.09749	2.2
163.07675	1.8
170.07524	1.9
173.09604	2.4
175.07558	2.1
175.11252	2.1
185.06171	2.5
191.10774	6.2
197.06012	2.1
197.09680	2.1
199.07593	2.6
201.09154	3.2
201.12752	2.0
203.10788	8.5
204.04175	2.4
207.10248	2.0
209.11871	2.6
213.09146	3.0
213.12682	2.1
215.10814	2.6
222.62701	1.8
225.11162	3.5
233.15482	35.3
239.10828	3.5
243.10199	4.0
255.10202	4.5
256.10974	2.8
257.11877	2.4
264.08170	1.9
279.14169	3.0
283.13620	1.9
291.13931	3.0
291.19653	3.7
301.19687	2.0
309.15210	2.5
319.20761	3.0
322.26352	1.9
322.41623	1.8
327.17087	2.6
343.20837	2.9
359.23807	2.8
361.21933	3.2
369.18570	2.4
375.23413	3.5
377.24960	9.3
385.21768	11.1
389.17542	5.0
403.22971	11.5
404.23236	2.7
405.21106	2.6
415.15439	2.7
421.23764	9.2
422.24954	2.1
429.20712	18.1
433.16599	14.7
447.21817	100.0
448.22031	9.6
451.17798	2.8
465.22812	40.6
466.23093	4.8
483.33383	3.6
491.20905	16.3
509.21420	16.1
527.22290	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	7.3
58.58752	2.1
59.01390	16.3
61.98818	3.0
64.41534	1.4
67.01903	2.9
69.03456	26.7
69.05752	10.3
71.01400	15.1
71.05017	2.2
72.99316	38.2
73.02939	3.5
75.00887	1.9
83.05039	2.8
85.02969	9.1
87.00870	4.4
89.02452	14.9
95.05042	4.8
97.02962	100.0
99.04538	5.5
101.02443	8.4
107.05056	1.6
107.83208	1.4
109.06647	1.8
111.04528	2.4
113.02483	3.5
119.74383	1.6
122.03751	3.2
123.08172	2.5
125.02472	5.5
131.03534	2.8
135.08174	1.9
137.06100	35.6
139.07675	18.4
149.04585	4.1
149.09767	2.0
151.07690	1.7
161.04526	2.6
163.11351	1.6
165.12915	2.7
175.07591	1.9
191.05595	5.2
213.09180	1.7
233.15475	75.1
234.15767	3.1
239.10881	2.4
241.08664	2.6
253.09126	2.3
267.13971	2.2
273.18478	2.4
279.14304	1.7
283.13705	1.7
283.17096	2.2
285.14966	4.6
291.19696	15.4
297.15021	38.0
298.15192	2.3
309.15021	5.1
325.18237	2.1
327.16016	2.1
337.18253	2.3
355.14774	2.5
355.19171	38.3
356.19507	3.6
385.20450	1.5
389.16116	6.5
393.24957	1.8
399.18030	1.9
429.19208	92.4
430.19415	6.4
435.21585	3.2
453.22705	4.7
465.22629	12.4
483.27432	3.5
509.21530	11.4
527.27289	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.6
57.03456	5.7
58.00606	2.1
59.01385	27.9
61.98827	1.7
68.99556	1.3
69.03454	2.1
71.01388	95.5
72.01695	0.6
72.99317	3.0
73.02953	31.9
75.00886	1.7
78.04817	0.5
78.91877	1.0
81.03460	0.9
83.01393	15.1
85.02958	44.0
86.00111	1.0
87.00885	3.9
89.02449	11.9
95.01395	6.2
97.02941	5.4
99.00890	14.8
99.04563	0.6
101.02450	73.7
102.02786	0.7
111.00895	0.9
111.81879	0.6
112.98564	2.1
113.02460	41.0
125.02452	6.2
128.88960	0.6
129.01936	1.9
131.03514	9.6
143.03506	7.1
147.08038	0.5
149.04576	2.8
159.03014	11.9
161.04564	88.4
162.04936	1.9
173.83212	0.5
191.05603	0.9
201.12706	0.5
205.03578	3.5
215.14322	0.7
225.05479	0.6
233.06685	1.0
233.15456	2.4
272.10254	0.7
273.10178	0.6
277.21591	0.6
278.98486	0.5
327.32852	0.7
329.23294	1.0
365.19675	2.4
395.20749	100.0
396.20993	7.4
439.19757	2.7
527.18781	0.6
527.25110	8.3
527.32141	1.0
528.25409	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2498
Annotation	Tinosinenside
Peak:m/z	Relative Intensity
55.01877	0.2
57.03429	0.1
58.00583	0.4
58.96374	0.1
59.01381	6.1
69.03448	0.5
71.01387	7.9
72.99297	0.5
73.02962	0.9
75.76696	0.1
80.02193	0.1
81.03456	0.5
83.01379	0.3
83.05065	0.2
85.02966	0.8
87.00884	0.3
89.02451	10.4
95.01385	0.2
97.02946	0.8
98.22294	0.7
99.00854	0.2
99.04520	0.1
99.05688	0.1
101.02456	2.0
111.04502	0.2
113.02457	1.5
119.03513	0.4
123.08160	0.4
125.02452	4.1
126.02822	0.1
131.03519	2.6
138.11729	0.1
143.03523	0.5
149.04561	2.8
161.04527	0.4
187.14914	0.4
189.16476	0.2
191.05635	0.8
199.13562	0.1
231.83968	0.1
233.15472	100.0
234.15814	5.5
247.17137	0.2
274.72644	0.1
275.16574	0.1
276.94662	0.1
293.08807	2.6
293.11911	0.2
305.17691	0.1
459.71991	0.1
483.27237	0.2
527.26221	0.9
528.26923	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2503
Annotation	Tinosinenside
Peak:m/z	Relative Intensity
55.01881	5.8
56.69717	0.4
57.03450	7.0
58.00595	1.8
59.01385	29.0
61.98825	1.6
68.99577	1.7
69.03461	1.3
70.27163	0.4
70.27509	1.3
71.01387	92.3
72.01717	0.6
72.99305	2.5
73.02952	29.6
75.00854	1.3
78.91869	0.7
81.03444	0.9
83.01393	13.1
84.02191	0.6
85.02957	42.9
86.00086	1.0
86.03259	0.6
86.56886	0.4
87.00889	3.6
89.02453	11.9
95.01390	5.7
97.02965	3.3
99.00890	15.3
101.02451	65.0
102.02801	1.2
105.80507	0.5
109.57384	0.4
111.00913	1.4
112.98569	2.6
113.02460	35.9
114.02780	0.9
115.04028	0.7
119.03547	0.7
125.02458	5.8
129.01959	1.9
131.03513	9.7
137.02461	0.5
143.03505	7.4
149.02496	0.6
149.04546	1.8
159.03015	8.8
161.04567	84.8
162.04942	2.2
191.05484	0.5
201.12839	0.6
203.14388	0.7
205.03621	2.4
215.14424	0.7
233.06625	1.4
233.15538	2.2
269.99188	0.5
293.08643	1.0
303.15927	0.8
329.23306	0.5
365.19571	1.1
385.42673	0.4
395.20755	100.0
396.21143	7.9
398.61960	0.5
435.34955	0.5
439.19699	1.8
440.20212	0.7
501.38882	0.6
527.25208	8.3
528.25299	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2653
Annotation	fijianolide D
Peak:m/z	Relative Intensity
57.03442	2.3
59.98508	1.9
61.98790	0.8
69.03452	1.5
69.14808	6.1
71.05013	2.1
81.03455	7.7
83.05038	1.0
95.08677	1.2
97.02954	0.9
98.03722	1.2
98.21769	1.4
99.04518	5.9
109.06586	1.1
111.04502	1.4
121.06597	8.9
125.02457	8.7
137.06082	2.0
138.06868	4.2
139.07646	8.2
155.72076	0.9
165.05579	1.9
175.24677	0.8
182.90765	0.7
183.06622	7.8
223.00531	0.8
268.10458	0.8
271.20657	3.5
271.23196	0.9
299.20142	8.9
343.19034	4.2
359.27582	1.3
377.28659	4.6
380.66254	0.8
403.26477	2.2
421.27423	4.3
425.23364	1.1
439.28522	14.8
440.28876	1.7
455.28214	1.2
467.83255	0.9
483.27496	5.3
527.26526	100.0
528.26837	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	6.9
59.01134	1.7
59.01387	17.9
59.43867	1.7
61.98811	2.2
69.03441	4.5
69.54484	1.6
70.56064	4.3
71.01381	11.6
71.05017	2.1
71.18473	1.6
72.99300	1.8
73.02951	2.8
83.05002	4.1
85.02940	4.6
87.00866	5.8
87.04495	1.8
89.02444	12.9
95.04459	1.9
95.05031	29.2
97.02952	6.1
97.06583	2.5
99.04559	4.0
99.82446	1.8
101.02434	4.4
105.07120	16.7
107.05058	5.1
113.02437	4.5
119.03475	2.7
119.08656	3.1
121.06563	4.2
123.08167	32.4
125.09721	2.1
135.08153	3.7
137.06049	4.8
137.09692	6.0
139.07668	71.4
140.08014	2.0
143.78729	1.6
146.14813	1.4
151.07637	10.1
153.05559	2.4
153.09175	5.4
157.47818	1.7
165.09180	1.6
165.12820	1.9
167.07181	3.8
171.10301	4.2
179.05530	3.3
197.08075	1.8
201.11218	1.7
209.11864	5.0
210.87897	1.6
233.15511	4.9
253.09406	2.6
291.19687	15.8
303.23328	20.4
304.23538	2.0
344.92587	1.7
347.22421	3.2
365.23294	13.8
378.19128	2.2
445.82162	2.0
447.25320	1.8
453.26425	3.0
465.26184	4.2
465.32385	1.9
481.25851	2.9
483.27478	12.0
483.33444	4.9
509.25140	10.3
510.25839	2.0
527.26379	100.0
528.26892	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	5.1
59.01361	4.0
61.65914	1.4
69.03449	2.8
69.04974	16.6
71.04993	1.3
83.05031	8.8
83.53889	1.4
84.05375	2.0
85.02943	3.3
87.00900	3.4
95.05044	18.9
97.02950	4.5
99.04524	7.5
105.07090	3.3
107.05048	3.2
109.02917	1.7
109.06592	4.5
111.08192	2.0
111.36969	1.3
121.06588	1.9
122.03713	3.3
123.04548	1.8
123.08181	10.4
125.02420	2.9
125.06077	2.4
127.04028	16.7
137.06100	55.5
139.07661	40.8
143.83159	1.5
144.09082	1.6
149.46748	1.4
151.07666	2.9
168.83072	1.4
185.08195	15.5
203.10725	2.0
211.11244	2.0
243.13870	2.9
274.58893	1.5
298.19244	1.5
342.18317	3.9
345.21918	1.6
379.22986	2.5
385.24496	1.9
389.19781	4.3
407.21729	1.8
409.01624	1.9
421.27188	2.6
433.65424	2.0
437.27164	3.3
447.24677	5.4
455.27786	2.8
465.25714	4.6
469.22318	4.8
483.27667	2.5
491.23669	3.5
509.24756	9.4
527.26465	100.0
528.26947	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40746	0.1
59.01379	0.3
61.98827	0.2
71.31084	0.2
72.99319	1.8
73.78664	0.1
73.84469	0.2
75.00879	100.0
76.01220	0.7
78.71535	0.1
94.88176	0.2
99.04548	0.2
100.91528	0.1
139.07616	0.3
188.66110	0.1
257.72275	0.2
279.89929	0.2
291.19681	0.2
332.87476	0.2
367.77368	0.2
431.47223	0.1
433.24008	1.0
451.24655	0.5
453.26511	0.3
467.31390	0.5
527.26428	5.9
527.33331	0.4
528.26483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.4
57.03447	2.0
59.01385	39.6
61.98835	10.8
69.20527	6.8
71.01390	22.9
73.02956	11.7
81.73324	0.7
83.01405	6.4
85.02960	11.6
86.00115	0.9
86.05695	0.8
87.00890	1.4
89.02456	3.3
92.52287	0.8
95.01398	2.0
99.00878	4.8
101.02451	24.2
111.00883	1.7
113.02450	10.1
125.02479	1.9
131.03510	8.6
143.03525	1.1
159.02969	1.7
161.04578	7.9
263.15027	1.7
285.04132	1.0
335.20779	100.0
336.21185	5.6
347.18582	1.3
395.19223	2.9
422.45575	0.9
467.24988	17.6
467.31085	1.6
468.25275	1.8
491.18414	1.1
527.23694	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07174	0.5
56.58063	0.5
57.03453	3.5
59.01146	0.6
59.01385	8.5
61.98835	6.4
69.03450	0.8
69.54826	2.9
71.01385	5.5
71.05006	0.7
72.99301	2.5
73.02942	1.3
73.09277	0.5
78.95910	0.7
83.01360	0.8
83.05035	1.3
85.02943	1.5
87.00877	1.4
89.02459	3.6
93.03501	0.7
95.05024	0.9
98.21777	1.1
99.04522	3.7
101.02448	4.6
109.06590	0.9
111.08179	7.3
113.02454	1.8
119.03507	1.2
123.43334	0.6
125.09741	1.4
135.08153	0.7
135.11827	0.6
137.06163	0.7
137.09727	1.1
139.07669	7.0
149.09726	0.6
153.09229	1.1
161.04590	1.6
167.10777	1.6
176.58984	0.5
177.12881	2.5
179.05634	0.6
179.10753	1.7
191.05653	0.9
195.13951	5.1
203.14297	0.6
247.20697	1.7
253.09300	15.6
254.09630	0.7
273.18588	1.1
291.19684	100.0
292.20081	6.1
309.20590	0.6
365.19406	0.6
434.16147	0.7
465.26517	0.8
483.27560	1.3
485.25470	0.8
527.26672	11.2
528.26941	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00702	0.5
55.01860	0.5
56.64686	0.4
57.03455	18.7
59.01386	19.0
64.56752	0.4
69.54703	2.4
71.01383	8.1
72.99300	0.5
73.02935	1.8
75.04983	0.4
80.26965	0.4
81.03441	0.5
83.01378	1.4
83.05022	0.7
85.02979	3.2
87.00890	1.4
89.02452	4.3
93.03476	0.6
94.38785	0.4
95.05035	1.7
97.02971	0.6
97.12867	0.4
97.73495	0.5
99.00900	0.6
99.04526	15.7
101.02457	9.3
109.06604	0.6
111.08167	7.3
113.02458	3.6
119.03425	0.9
121.10230	0.5
122.03739	0.7
122.39533	0.4
123.15550	0.4
125.02476	5.2
137.06100	3.4
137.09749	0.8
139.07657	0.8
139.11314	0.6
143.03499	0.8
149.09729	0.8
161.04567	3.9
167.10788	1.7
177.12891	1.8
179.05638	0.6
179.10780	1.4
185.11795	0.8
189.76872	0.4
195.13925	5.2
197.11984	0.4
235.08299	0.5
242.01241	0.5
247.20708	2.1
253.09309	17.1
273.18759	1.3
283.17154	0.7
291.19678	100.0
292.20053	5.5
325.36337	0.4
383.24448	3.9
389.19867	0.6
425.25247	0.5
465.22208	0.6
502.67056	0.5
513.64502	0.5
527.26715	8.2
528.27777	0.7
531.40277	0.5
552.84338	0.4
554.97430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70163	0.2
55.01873	0.4
55.75499	0.2
57.03437	0.3
58.00608	0.3
59.01381	5.9
61.98819	0.2
69.03427	0.3
70.41376	0.4
71.01382	4.8
72.99302	0.4
73.02940	0.7
81.03439	0.2
83.01382	0.5
83.05052	0.2
85.02964	1.3
87.00877	0.8
89.02447	4.6
95.01384	0.3
95.05030	0.3
97.02959	0.5
97.06590	0.3
99.04563	0.2
101.02449	4.7
113.02453	2.4
119.03519	0.7
119.05010	0.2
125.02444	0.5
137.06090	0.2
139.07709	0.3
143.03505	0.4
147.08063	0.2
148.08922	0.7
149.09671	0.2
150.10490	0.6
151.11301	0.4
153.75606	0.2
161.04553	2.1
163.11284	0.7
165.12854	13.9
166.13164	0.5
175.11292	0.4
176.12015	0.4
177.12793	0.4
179.05611	0.6
191.14397	0.4
217.16005	0.2
219.17526	0.2
233.15472	5.6
234.15796	0.4
235.08185	0.2
245.18819	0.2
247.20685	8.3
248.20905	0.4
253.09294	16.6
254.09641	0.5
273.18585	4.1
273.21533	0.2
274.19022	0.3
291.19659	100.0
292.16711	0.3
292.20010	5.8
527.26343	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66653	0.9
57.03450	9.1
58.00585	1.0
59.01378	20.0
61.98807	3.9
69.03584	8.3
71.01385	16.4
71.04997	1.5
72.99304	1.3
73.02917	1.3
80.02694	1.4
80.22952	0.9
83.01396	1.8
83.05012	2.9
85.02950	5.1
87.00877	2.2
89.02450	24.4
95.01391	1.9
95.05025	5.6
97.02983	4.4
97.06589	2.1
99.04507	3.4
101.02464	8.2
105.07092	3.1
107.05000	3.0
108.02184	5.4
109.02909	1.0
109.06573	3.1
110.20075	0.9
111.04463	1.1
111.08154	2.9
113.02458	7.6
119.03499	9.4
119.08679	5.4
119.81348	0.9
121.02940	1.0
121.06583	4.0
123.04524	1.1
123.08161	8.8
125.02456	1.6
131.03432	1.0
133.06564	1.2
135.08168	2.9
135.68286	0.9
137.06108	6.8
137.09729	21.4
139.06639	1.4
139.07658	21.1
143.03465	2.5
143.31998	1.0
149.04536	1.4
149.09750	1.2
151.07649	26.5
153.09157	1.3
155.07086	1.3
161.04555	2.5
161.09779	1.4
163.07678	1.2
163.11316	1.4
167.07117	2.8
171.10262	1.4
175.11230	1.9
179.05611	9.2
185.13309	1.7
187.11290	1.3
189.12851	1.0
193.12340	1.3
201.12851	1.2
209.11716	1.8
213.12784	1.1
233.15387	1.5
253.09117	1.0
271.17047	1.6
285.18463	1.2
287.20294	2.1
291.19666	3.6
297.18259	1.1
301.21738	1.6
303.23297	50.6
304.23633	3.9
321.24316	4.2
345.24509	1.3
347.22415	6.3
365.23300	38.5
366.23557	3.5
385.25226	2.0
389.23273	3.9
403.26340	1.5
425.23334	1.7
447.25391	3.6
453.26596	11.1
454.26996	1.7
465.26523	3.7
467.26642	1.4
483.27625	7.8
483.33289	1.3
497.25424	3.1
509.25354	4.1
510.25766	1.2
527.26428	100.0
528.26886	9.3
551.83234	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.7
67.61250	0.9
69.03107	8.2
75.77016	0.9
94.92517	1.1
98.22564	2.3
114.84270	1.0
122.95515	1.1
125.51159	1.1
197.03041	0.9
209.48903	1.0
226.86044	1.0
269.99622	1.0
272.78989	1.1
469.33252	43.3
470.33707	5.2
527.29065	100.0
528.29321	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51096	5.8
59.01386	100.0
60.01708	10.7
61.98822	22.8
71.01376	8.4
71.04994	5.8
71.30656	8.2
88.66673	5.7
96.45657	7.6
99.04476	7.4
118.21175	6.3
119.13542	6.7
231.97356	6.1
255.23459	7.2
365.48944	6.8
390.47549	6.9
395.71457	7.3
467.31573	71.6
468.32349	8.8
527.27344	12.2
527.34961	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3379
Annotation	29-Acetoxyspiroiridal
Peak:m/z	Relative Intensity
51.93280	1.6
59.01378	24.0
69.16891	4.9
69.17314	8.2
74.78429	1.5
80.39893	1.4
125.94591	1.7
133.02962	1.9
142.71599	1.6
184.39755	1.8
205.54622	1.7
272.63281	1.7
335.03940	1.8
361.25519	1.9
409.31165	12.3
423.33026	1.8
437.30618	79.2
438.31271	7.6
455.31732	6.7
467.31805	2.9
497.32687	4.2
527.33887	100.0
528.34338	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13545	0.5
59.01303	20.1
59.01637	2.6
63.15896	0.6
69.03248	0.9
69.03649	3.5
71.29028	0.6
71.72263	0.5
99.04526	17.6
123.99294	0.9
194.47221	0.5
203.84814	0.5
289.25629	0.5
306.31863	0.5
383.29733	4.1
423.32700	2.3
437.30829	1.9
439.32376	0.7
449.30414	1.3
467.31677	98.5
468.32013	9.9
497.32687	1.8
527.33838	100.0
528.34174	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3383
Annotation	25-O-Acetyl-7,8-didehydrocimigenol
Peak:m/z	Relative Intensity
58.07215	0.8
59.01385	21.4
60.90405	0.8
65.74948	0.8
65.85213	0.9
67.59286	0.8
67.74969	0.9
69.46917	3.7
83.05058	1.0
84.72601	0.9
85.06567	0.8
97.06577	1.8
97.27609	0.8
98.22496	1.7
99.04529	18.1
128.60463	0.9
140.82565	1.1
172.34927	1.0
298.16742	0.9
349.25653	1.2
353.28543	1.1
356.59299	1.0
365.28574	1.7
381.27847	1.2
383.29700	6.8
467.24835	2.2
467.31686	94.9
468.31982	12.7
527.33813	100.0
528.34406	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	27.4
61.53647	1.0
61.98821	1.5
69.39659	1.8
69.40065	4.9
75.85477	1.1
83.05044	1.3
99.04530	15.2
114.88465	1.0
325.25333	1.5
351.26907	1.3
353.28519	9.7
385.27695	1.8
437.30634	76.2
438.30856	6.8
467.31665	52.7
468.32016	4.9
475.95682	1.2
497.32788	30.6
498.33386	3.1
527.33826	100.0
528.33948	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10221	1.3
59.01381	20.4
59.48928	1.4
67.08715	1.2
67.74677	1.5
83.04950	1.2
90.76597	1.4
97.06638	1.3
99.04531	16.2
101.23965	1.4
152.27876	1.4
187.12923	1.5
190.97427	1.2
194.79701	1.3
285.42657	1.4
383.29562	5.0
393.31821	3.7
413.58875	1.4
423.32632	3.9
467.31699	93.1
468.32004	10.5
527.33820	100.0
528.34161	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	4.6
61.98833	86.3
65.00330	10.4
69.03355	2.3
69.20143	18.8
71.01400	3.5
83.01410	6.6
107.01390	19.8
109.03028	2.7
123.04534	9.4
125.02450	16.6
133.03012	4.8
143.08842	2.7
150.03253	6.3
151.00378	100.0
151.04005	21.9
152.01054	5.0
177.01941	3.3
178.99889	6.8
191.05626	4.3
285.04108	68.2
339.07141	4.6
363.41986	2.8
395.08051	3.4
465.10443	72.3
466.10922	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80039	0.8
58.00588	0.8
59.01385	10.4
61.98832	4.7
69.38999	4.8
71.01387	9.6
72.99303	1.5
73.02953	5.6
75.00878	15.3
85.02950	4.3
87.00883	15.9
89.02467	4.1
101.02451	7.2
103.03999	2.5
109.02940	1.3
113.02444	1.3
115.04073	1.0
115.05556	8.2
116.05103	2.0
117.01969	1.0
118.66148	0.8
121.02947	1.0
125.02422	2.0
130.06639	8.5
131.03499	2.6
132.04567	27.4
133.04880	1.1
134.03764	1.3
135.04524	1.0
143.03522	2.8
144.04543	2.4
146.06085	1.0
147.37228	0.9
157.05322	1.3
158.06126	100.0
159.06473	3.0
163.06180	2.0
174.05573	4.2
176.07155	1.1
191.05629	2.9
202.05107	46.0
203.05437	1.8
205.07149	2.6
220.06137	7.8
262.07239	2.1
383.11908	8.3
395.11917	10.7
464.02435	1.0
493.31366	0.9
526.11609	1.0
528.17242	91.2
529.17316	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08183	100.0
90.06278	9.6
182.37692	10.4
405.57959	9.6
499.60400	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
74.25011	47.6
97.03798	47.6
98.22532	100.0
98.77990	42.0
210.50694	46.8
266.10834	49.4
457.42355	43.1
481.87903	47.3
507.78696	55.1
516.49878	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33933	66.0
56.55613	75.8
59.21684	75.7
61.98819	99.1
71.30888	92.0
167.49348	70.2
249.55582	73.1
324.26785	81.9
325.68872	100.0
380.04477	74.9
382.61414	71.9
401.91827	67.9
524.99951	77.7
528.25049	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98807	74.5
71.32243	100.0
77.43953	61.3
216.84642	74.8
393.98367	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98795	21.2
69.15018	100.0
69.15443	24.0
87.00887	12.3
129.18913	14.3
129.83858	11.4
130.41887	12.8
481.29233	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46736	33.9
56.10232	29.7
70.35481	100.0
70.35827	32.2
90.45338	29.2
98.22462	36.3
136.03391	29.5
140.03383	30.6
147.69157	26.6
152.99570	32.5
207.28313	31.4
215.42818	30.1
228.20412	30.8
235.08308	30.9
243.39464	28.4
277.21790	46.1
283.13419	94.6
529.25354	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33933	66.0
56.55613	75.8
59.21684	75.7
61.98819	99.1
71.30888	92.0
167.49348	70.2
249.55582	73.1
324.26785	81.9
325.68872	100.0
380.04477	74.9
382.61414	71.9
401.91827	67.9
524.99951	77.7
528.25049	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	48.2
61.98829	55.9
70.20308	19.0
83.05084	10.0
88.16553	10.0
98.21896	15.0
98.56903	11.8
109.26682	11.5
158.10023	10.0
468.32263	100.0
469.32614	14.9
528.33685	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61060	24.6
59.01371	36.8
69.44706	25.5
70.20361	100.0
78.88657	29.1
94.65449	24.2
109.50328	24.8
180.92746	27.9
468.32129	65.2
471.44116	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.12
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	15.2
59.01374	6.7
68.99812	2.0
69.04494	13.0
71.01386	5.3
72.99277	1.3
73.02948	4.3
74.02827	1.2
75.00881	3.7
83.01380	3.2
83.05004	1.9
84.02184	2.5
85.02956	100.0
86.03313	1.3
87.00893	1.5
93.03474	14.2
95.31570	1.3
98.21933	5.3
101.02469	1.8
103.00360	1.9
107.05027	1.6
109.02997	3.6
111.00870	6.5
111.04522	4.8
115.00408	1.5
119.05029	12.2
129.01941	17.5
134.03735	2.0
135.04529	4.4
137.02455	4.5
147.03009	20.6
147.16324	1.2
149.06131	1.6
161.06091	1.8
163.04025	8.4
171.08177	1.4
173.00961	3.1
173.04605	9.3
179.03429	3.0
184.05351	1.4
190.60098	1.5
191.01979	66.3
191.05652	4.2
193.05066	4.0
193.06601	2.0
209.03004	10.5
213.09126	2.4
224.09013	1.3
226.54616	1.2
293.10425	5.7
319.08249	3.3
337.09299	45.0
338.09409	1.8
355.09250	1.9
401.16901	1.2
443.96918	1.3
529.12451	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.3
57.03448	4.0
58.00585	0.9
59.01384	46.2
61.98833	7.7
62.05257	0.9
63.39954	0.8
69.33575	4.6
69.34003	3.1
71.01388	48.3
71.82163	0.9
72.99311	3.0
73.02950	14.8
83.01389	8.0
85.02951	24.0
87.00887	3.9
89.02448	26.6
89.02966	1.7
93.03472	2.3
95.01406	3.3
96.95994	1.0
97.02958	2.3
99.00877	7.5
101.02448	39.1
111.00879	2.9
113.02467	23.4
115.04048	1.3
119.03494	7.3
125.02456	4.0
129.01965	1.7
131.03506	13.1
134.03766	1.5
135.04546	1.6
136.09906	0.9
143.03494	5.6
149.04584	3.9
155.03569	1.6
158.06224	1.1
159.02979	1.9
161.04587	10.6
173.04591	2.3
175.02469	1.3
179.03720	1.0
179.05690	3.1
179.07156	1.4
191.05585	4.8
215.05617	1.5
217.10851	1.0
233.06821	1.2
235.06104	1.8
235.11884	34.7
331.14185	1.9
367.16104	100.0
368.16373	6.0
473.16959	1.6
477.82339	1.0
529.21503	66.4
530.21930	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	44.3
66.64340	3.1
69.04827	34.2
69.05222	5.5
71.01369	4.4
72.99311	47.5
83.05022	4.4
97.02980	9.4
97.06589	4.9
99.04524	10.3
100.86382	3.1
111.08138	3.4
121.06585	4.1
125.06066	3.9
137.06096	4.4
137.09695	4.8
139.07625	30.1
171.11798	8.3
191.05670	3.9
256.10876	4.0
321.22214	3.8
347.23758	7.3
365.21106	5.6
365.25174	5.5
391.22702	7.5
409.23880	8.9
427.24973	5.5
449.26797	3.8
453.23145	5.4
467.28101	5.7
469.26010	12.6
471.23825	17.7
485.30182	21.7
511.27267	5.0
529.28290	100.0
530.28217	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79220	1.1
57.03437	2.8
58.59356	1.5
59.01384	9.7
61.98833	1.2
69.03449	5.2
71.01388	3.7
71.05033	1.7
72.99341	1.5
73.02943	2.9
83.05022	3.3
85.02958	9.4
87.00863	1.9
95.51722	1.3
97.02953	13.7
97.06580	3.3
98.21764	1.9
99.04510	12.9
109.06634	2.2
111.04582	1.3
111.64226	1.4
121.06654	2.0
123.08129	1.2
125.09711	1.7
126.79513	1.3
135.08185	1.8
137.06070	2.0
139.07660	8.8
141.23734	1.2
144.89488	1.4
147.08177	1.6
149.09727	1.9
151.07707	2.1
154.57678	1.2
235.17023	1.5
243.13861	2.3
257.15549	2.6
281.19141	1.6
286.66232	1.5
329.22769	1.7
347.23834	3.2
365.24954	2.0
373.21774	2.3
391.22882	12.5
409.23889	14.5
427.24976	18.7
428.25204	1.5
467.27975	5.3
469.26337	1.4
485.29138	100.0
486.29596	11.4
493.25766	1.8
511.27029	1.8
529.23163	14.1
529.28314	17.7
530.23114	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65471	1.6
54.42543	1.7
57.47752	1.6
57.71885	1.6
59.01379	9.9
61.98838	17.9
68.59769	1.7
68.99807	2.5
70.35568	5.3
76.78394	1.7
87.00908	3.8
93.93225	1.6
99.04531	100.0
108.02221	1.6
173.06067	1.7
173.55025	1.9
192.00725	5.7
203.59105	1.8
213.09184	2.3
215.83940	1.8
223.99608	4.9
225.05649	1.7
231.02840	2.1
241.08743	6.7
257.08282	2.1
259.09702	2.1
270.05316	3.5
274.89896	1.7
285.07736	45.4
293.21375	2.5
303.09103	2.5
329.06711	4.2
341.14197	2.3
385.12891	5.3
425.27502	2.1
429.11990	8.5
469.33508	8.4
473.63004	2.0
529.17432	3.7
529.28766	2.8
529.35291	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	23.8
65.84682	15.3
68.33089	18.0
69.02646	100.0
81.78658	17.9
85.02943	32.1
97.90928	19.6
99.04545	35.9
121.42773	16.4
219.05188	21.2
261.65665	18.8
343.19113	20.8
373.31833	17.5
486.29257	18.4
529.28223	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43713	11.1
56.29432	11.3
64.62829	12.8
69.04641	25.3
69.05050	100.0
82.10545	14.3
87.00895	18.6
92.65869	13.9
98.24106	12.8
115.15117	12.1
152.21475	11.5
201.61728	13.3
256.19391	13.5
529.28113	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95223	10.4
56.99781	9.6
66.97284	11.6
68.99949	100.0
85.10154	10.5
90.44604	9.8
99.04585	10.3
130.86046	11.2
207.42516	9.9
293.21310	18.4
378.25272	11.6
467.28003	24.8
529.23334	25.5
553.61249	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2448
Annotation	Miotoxin A
Peak:m/z	Relative Intensity
57.03446	3.6
59.01369	3.7
60.62348	1.2
67.01883	2.7
69.03454	3.7
69.62498	6.2
71.01369	4.4
72.99313	65.4
73.02943	1.2
75.00891	1.7
83.05027	2.4
85.02941	2.9
87.13650	1.2
93.03465	5.0
93.07123	3.1
95.05035	13.1
97.02952	12.3
97.06612	2.5
99.04519	2.1
101.02496	1.3
107.05016	4.1
109.02975	2.2
109.06593	5.4
121.02955	1.1
121.06600	3.6
122.03761	12.7
123.04515	2.0
123.08153	4.8
125.06090	2.1
125.09705	1.4
135.04495	1.2
135.08179	1.5
137.06096	100.0
137.09708	1.8
138.06390	2.9
139.07626	2.3
146.80156	1.1
147.08237	1.1
147.11870	2.4
149.06049	3.1
149.09732	2.5
151.07643	3.2
152.01141	1.3
153.05685	1.2
153.09236	1.4
155.98982	1.0
161.06096	1.9
165.09100	1.2
175.11290	1.2
177.09198	1.3
181.08708	1.4
182.93069	1.3
185.09746	2.1
187.11386	1.6
191.10808	1.7
203.10764	3.4
213.12785	1.7
215.10762	1.4
231.13905	2.5
241.16229	1.2
253.10806	4.3
261.14862	1.6
271.11874	3.5
275.12775	1.4
299.16592	5.6
355.15552	2.7
373.16656	8.0
374.17102	4.9
391.17603	1.7
413.19720	3.7
423.21506	1.6
437.23257	3.4
441.23056	1.7
465.22778	1.4
467.24298	8.6
483.23831	2.3
485.29401	2.6
493.22513	2.8
501.25015	23.2
502.25229	3.5
511.23401	35.8
512.23718	2.9
529.24402	90.2
530.24811	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.5
59.01382	32.0
67.01881	3.3
69.03445	3.7
71.01395	15.7
71.31096	5.1
73.02964	12.7
83.05030	2.4
85.02954	6.0
89.02450	16.7
93.03477	6.0
93.07107	4.8
95.01375	3.1
95.05017	12.0
97.02960	13.2
97.06567	3.6
99.00886	6.0
101.02458	10.5
107.05061	4.6
109.02995	3.7
109.06583	9.3
113.02456	3.1
119.03542	4.1
121.06584	7.1
122.03772	8.8
123.08121	3.5
125.02441	3.4
131.03545	3.7
135.08209	3.1
137.06097	100.0
139.07660	7.3
149.04599	7.9
149.06125	2.6
149.09760	3.3
151.07594	2.6
159.08313	2.5
161.09723	3.1
163.11345	4.8
173.09740	3.2
173.13489	2.8
175.11308	6.9
187.11232	2.6
191.10741	2.6
191.40073	2.6
194.20761	2.5
231.13824	3.3
321.18475	3.1
323.16541	4.0
329.17212	3.3
409.20117	4.7
441.47845	3.5
467.19766	3.5
467.24661	8.0
485.25687	3.6
511.19693	13.4
529.21576	33.2
529.24371	36.9
530.20935	3.8
550.61737	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.0
57.03444	5.4
58.00613	3.0
59.01095	3.9
59.01384	64.3
59.19651	1.8
60.16450	1.8
61.98844	10.3
62.85210	1.8
69.03474	3.7
69.22491	17.5
71.01388	100.0
71.74776	2.0
72.99308	9.0
73.02956	33.6
73.17513	1.9
75.00851	2.2
79.41945	1.9
83.01387	15.3
85.02958	39.6
87.00883	5.2
89.02454	57.5
95.01405	5.7
97.02983	11.0
98.22685	2.9
99.00885	29.6
99.04493	2.2
101.02451	79.4
102.02803	2.7
103.68842	2.3
111.00845	2.9
113.02466	32.4
115.04008	5.5
119.03512	6.3
121.02953	3.6
124.92822	2.3
125.02467	11.1
130.84026	2.3
131.03497	13.0
132.50267	2.1
137.06104	2.7
143.03529	9.3
149.04573	31.1
159.03027	4.0
161.04573	50.7
167.57545	2.0
188.05460	2.3
191.05632	9.8
205.03561	2.8
226.64857	2.2
233.06712	11.6
276.39496	2.8
293.08859	7.9
397.22311	55.0
397.27234	3.7
398.22681	4.8
467.20615	3.0
485.29248	4.2
529.26770	92.3
530.27142	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	9.0
59.01384	4.8
61.98824	1.0
67.01888	0.9
68.99817	2.7
69.03464	1.9
71.01395	2.1
71.05033	0.9
71.30956	0.7
72.99345	1.0
73.02932	0.9
81.03468	1.0
83.05061	1.7
85.02936	3.6
87.00880	9.7
89.02472	1.3
93.03455	6.8
95.05042	3.2
97.02953	5.9
97.06619	2.8
99.04532	3.9
101.02448	1.3
107.05039	1.2
109.06615	2.1
111.00936	0.7
111.04539	1.4
111.08177	1.3
113.02486	1.1
113.07316	0.6
121.06618	5.0
123.04578	1.4
123.08212	2.0
125.06093	1.1
127.07719	1.2
135.04491	0.7
135.08208	0.7
137.06071	1.2
138.06905	1.7
139.07668	3.9
161.09706	1.2
163.11371	0.9
173.04590	3.4
180.40286	0.6
183.10269	0.7
191.05536	0.7
195.13988	1.5
205.08835	1.1
211.11421	1.1
223.13501	0.8
227.10713	0.7
229.12354	3.4
247.13333	1.4
253.09328	4.9
253.15948	0.7
257.19183	1.5
275.20334	0.8
293.21262	14.2
294.21622	0.7
299.20148	6.1
321.22455	0.9
339.12769	0.9
339.16696	0.6
339.23431	4.3
343.19370	1.8
347.23727	0.9
379.26682	0.7
383.22455	0.8
427.25549	1.2
443.28088	10.8
443.33588	0.8
444.28537	1.3
485.29379	2.7
487.27170	7.4
503.71060	0.7
511.23895	2.2
529.28345	100.0
530.28589	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	14.7
59.01397	11.5
59.98497	3.2
68.29662	2.8
68.99833	12.6
71.01383	4.0
78.95911	4.5
81.03445	4.7
83.05041	4.5
84.95599	2.7
85.02969	3.8
87.00878	15.1
89.02483	2.9
95.05054	2.8
97.06599	18.5
99.04544	9.5
101.02460	3.6
109.06565	4.8
111.08169	3.5
111.35551	2.3
113.09716	10.4
138.06880	9.6
139.07663	15.2
145.02982	2.7
161.04633	2.3
253.09319	16.3
293.21243	100.0
294.21738	5.3
299.20148	15.4
343.19073	23.8
347.23856	3.3
383.22281	5.6
401.23560	4.2
433.27533	16.9
434.27515	4.2
451.28845	12.9
467.27917	3.6
477.26807	14.3
485.28860	5.2
493.25888	11.0
495.27695	12.8
511.26782	5.1
529.28357	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2811
Annotation	Ganoderic acid M
Peak:m/z	Relative Intensity
52.24864	13.4
56.45309	15.0
59.01377	81.4
61.98814	30.6
64.84599	12.7
68.95580	14.1
71.30620	29.4
84.89844	13.1
88.26466	14.2
111.08258	14.1
138.74055	15.8
139.32611	13.0
141.39035	13.9
142.87627	49.3
151.81448	15.3
157.10217	13.8
159.87833	17.8
190.21773	14.4
205.57596	15.8
268.95117	15.2
341.24887	16.9
471.42767	16.4
475.06888	16.8
485.29114	20.6
529.27765	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	77.8
59.01375	6.8
68.39572	2.3
68.99820	100.0
69.03452	2.9
70.34996	6.3
74.56939	2.2
81.03484	4.1
83.05016	2.3
85.02998	4.2
87.00883	66.7
95.05062	2.8
97.02966	3.8
97.06611	4.2
98.03759	2.8
98.21883	2.7
99.04526	22.6
110.70267	2.1
115.07707	2.5
121.06622	3.0
136.05286	2.9
139.07722	2.3
180.10252	2.2
257.19266	3.5
271.20642	3.2
299.20197	30.8
321.22339	4.6
339.23361	11.0
343.19135	67.4
344.19464	5.1
365.21310	7.5
383.22342	31.9
384.22690	3.0
401.23352	16.9
423.25467	2.4
441.26645	2.8
529.28107	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09317	1.6
54.18405	1.7
57.03218	1.8
57.03452	17.6
58.12841	1.7
58.95711	1.7
59.01384	13.9
61.98814	5.0
68.99828	15.4
69.03460	2.9
69.05914	15.4
71.01381	2.1
72.99297	7.7
75.00874	13.9
81.03453	2.4
83.05055	2.2
85.02479	3.0
85.02956	38.4
87.00884	20.5
93.03462	2.3
95.05024	3.3
97.02947	2.3
97.06616	11.4
98.22517	4.4
99.04527	15.6
107.05077	2.6
109.06581	2.1
111.00864	3.5
121.06616	2.4
123.08180	5.7
137.06093	2.8
138.06882	3.2
151.03998	1.9
160.33842	1.8
163.07698	3.3
216.67482	1.9
257.19095	4.2
271.20599	1.9
293.21249	2.4
299.20154	16.1
301.17828	1.8
307.06784	1.9
319.24454	1.8
339.23358	2.8
343.19193	21.3
344.19598	2.0
347.23700	4.3
358.63840	1.8
365.21048	2.0
383.22324	8.8
395.25964	3.8
409.23730	5.3
433.74231	1.8
467.28317	3.2
485.28842	15.5
493.26056	1.9
529.28027	100.0
530.28552	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19288	0.4
57.03444	1.7
57.08671	0.4
57.35899	0.4
59.01096	0.5
59.01381	10.6
61.98830	0.6
68.99800	1.0
69.03458	0.9
69.64080	2.3
71.01388	6.5
72.99287	0.5
73.02927	0.7
83.01376	0.6
83.05049	0.7
85.02959	1.1
87.00872	2.3
89.02441	6.2
94.88881	0.4
95.01402	0.6
95.05029	1.9
95.44281	0.4
97.02952	0.9
97.06592	0.6
99.04519	1.1
101.02448	6.0
110.87516	0.4
111.08155	0.7
113.02438	2.5
113.09726	0.4
119.03512	1.7
123.08170	0.5
125.02489	0.6
139.07664	1.2
141.76239	0.4
143.03485	0.8
161.04593	3.7
173.54572	0.4
179.05606	1.5
179.14439	0.5
195.13908	10.1
196.14525	0.5
197.15221	0.5
205.12413	0.7
211.13339	0.4
211.60880	0.4
223.13428	6.2
223.84500	0.5
228.13718	1.0
253.09288	29.2
254.09642	0.8
256.13168	1.6
275.20145	6.4
281.76865	0.5
293.21246	100.0
294.21579	6.9
299.20190	0.8
343.19150	0.7
397.91980	0.4
411.21622	0.7
485.29272	4.0
492.22583	1.2
529.27771	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12157	3.5
59.01382	17.1
69.06443	43.5
69.80566	4.1
98.21808	8.8
101.51548	4.1
112.00076	3.9
126.95348	4.6
152.48927	4.0
190.66890	4.2
447.01694	4.9
469.33234	100.0
470.33624	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95855	0.7
59.01383	43.3
61.98818	1.5
78.95915	1.3
85.06598	5.3
96.96030	5.6
114.07988	0.7
124.49951	1.1
126.88200	0.6
131.25714	0.6
139.05856	0.7
149.09749	1.4
151.11287	1.9
152.99585	1.9
154.56868	0.8
259.20761	1.0
273.22247	1.0
311.23813	1.3
317.99478	0.8
327.26999	2.1
409.31100	4.3
425.34348	2.2
469.33273	64.2
470.33435	7.4
487.34323	28.5
488.34869	3.7
529.35394	100.0
530.35736	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05738	0.4
54.39443	0.4
59.01381	10.8
71.01366	0.6
71.20120	0.5
74.14681	0.4
79.20732	0.5
90.48345	0.4
97.06593	0.6
99.04532	9.1
124.49998	0.5
179.05301	0.4
180.32515	0.4
279.85669	0.6
315.18860	0.5
353.24670	0.6
372.31488	0.5
385.31183	7.2
387.29178	2.4
397.31064	1.9
425.34378	6.9
426.34494	0.6
431.53632	0.4
441.33707	0.4
451.31998	2.2
469.33261	48.4
470.33554	6.4
511.34464	0.7
529.35400	100.0
530.35791	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23098	0.6
59.01385	4.0
61.01782	0.6
64.17667	0.5
64.59356	0.6
68.26443	0.6
69.25934	3.4
78.95444	0.9
78.95909	17.7
85.02974	1.2
93.03480	0.7
99.04530	1.8
100.04903	0.8
106.86063	0.7
111.04582	0.6
141.97185	0.6
151.38988	0.5
152.99574	3.1
168.04309	2.6
191.05637	5.0
192.06024	1.3
224.06923	7.5
242.08096	1.7
255.23312	100.0
256.23639	4.7
277.21954	0.7
281.60577	0.8
399.65094	1.0
464.89740	0.6
468.31866	1.8
469.32358	2.7
470.32687	8.8
480.30966	54.2
481.31323	5.1
529.75653	2.0
530.26483	1.3
530.34589	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	61.9
62.43690	17.9
78.95483	20.3
78.95922	45.9
87.00892	56.4
108.12779	19.3
135.04488	31.5
185.98169	19.1
190.75581	21.0
191.05617	36.7
196.89525	100.0
229.31648	24.5
281.60498	21.1
433.27423	36.6
530.28308	23.1
531.33148	75.9
557.77325	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25623	4.4
61.98831	100.0
70.91321	4.6
71.29516	5.5
75.94440	5.4
79.58297	4.2
80.11369	4.9
92.12906	4.2
119.34605	5.1
187.89528	5.7
299.09573	4.8
309.50110	4.5
345.37430	4.5
390.99445	5.0
411.49017	4.8
459.73120	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69453	3.5
61.98839	100.0
65.15014	3.3
66.22098	3.7
69.01050	17.4
69.01473	23.4
84.14037	4.0
115.05544	4.0
152.96004	3.5
181.40807	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71939	9.3
61.98828	100.0
62.02893	9.7
68.15438	8.9
82.32989	9.5
88.81274	8.2
98.21732	23.1
101.27526	10.1
147.95648	10.9
155.24022	8.3
201.52519	9.1
219.94763	10.2
229.48679	12.0
328.50754	9.1
407.84930	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	2.4
66.36646	1.2
69.36115	5.2
69.36519	2.8
71.01383	2.5
85.02963	10.8
87.00888	2.6
88.98826	1.6
89.02471	1.3
93.03448	6.9
96.40141	1.1
96.95993	2.4
96.96986	1.6
101.02435	1.2
109.02968	13.3
121.02973	1.5
127.04015	2.4
137.02527	1.6
145.02939	4.7
147.04549	5.9
157.02966	5.9
159.04549	8.3
166.79294	1.1
173.02415	3.0
173.04553	2.0
175.04005	4.6
185.02544	2.9
191.05629	62.9
192.05910	1.7
193.06610	1.6
199.09735	1.9
201.01990	1.6
221.06039	4.1
229.01430	36.3
230.02003	2.7
239.07094	3.4
249.05591	5.2
250.06326	2.9
251.06970	1.4
265.04947	1.6
266.05786	2.0
267.06607	17.6
268.07001	1.3
269.08041	2.5
277.05121	12.7
293.04645	4.1
294.05438	2.2
295.06134	24.8
296.06363	2.3
339.05106	100.0
340.05389	8.7
343.64090	1.2
357.09814	5.0
380.10184	1.2
452.60696	1.2
455.59158	1.4
455.91333	1.1
531.11340	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97262	0.8
57.03448	0.7
58.00597	0.7
59.01382	10.8
60.46740	0.6
69.03452	0.9
71.01385	9.6
72.99300	2.2
73.02951	2.7
79.85371	0.8
85.02956	11.5
87.00884	3.6
89.02456	9.0
93.03468	5.5
94.98045	0.7
96.95998	2.0
97.06614	2.5
98.21722	1.2
99.00878	0.8
101.02436	6.8
109.02957	16.6
111.04542	1.9
113.02460	4.5
117.03474	1.2
119.03500	3.0
121.02956	2.0
123.00884	0.6
125.06087	8.2
127.03989	1.7
129.03456	1.5
131.03505	2.5
131.05034	0.9
137.02507	1.4
143.07159	21.6
145.02971	6.6
147.04541	7.4
149.04590	1.2
157.02953	6.7
158.03764	1.3
159.04532	9.0
161.02425	0.7
161.04576	3.8
163.04079	1.2
173.02448	2.6
173.04523	2.0
174.03149	1.6
175.04034	4.3
179.05626	6.3
185.02452	3.1
186.03026	0.9
191.05632	61.3
192.06012	1.7
193.06583	1.2
200.01018	0.7
201.01917	0.9
211.07677	1.7
221.06642	7.1
224.04854	1.1
225.05554	0.9
229.01434	34.9
230.01918	2.1
237.05499	0.8
238.06412	1.2
239.07150	3.3
248.04852	2.1
249.05600	7.9
250.06319	2.9
251.07091	1.3
263.07764	3.2
265.05096	2.7
266.05841	2.6
267.06635	20.6
268.06964	1.6
269.08179	2.7
276.04294	1.4
277.05057	12.8
278.05762	3.3
280.03891	1.0
293.04565	4.6
294.05319	3.1
295.06128	27.0
296.06396	1.4
339.05106	100.0
340.05414	7.5
357.05997	0.9
357.09937	1.4
487.12570	1.4
531.11450	11.9
532.12329	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65176	1.3
57.23196	1.4
59.01371	3.7
59.77519	1.4
60.99310	17.6
61.01281	1.4
70.56608	2.5
70.56927	2.2
71.01392	2.1
78.91896	39.7
86.11989	1.4
88.98812	100.0
94.72970	1.5
101.02446	2.6
119.03499	2.1
268.02710	1.7
330.13144	1.8
441.17950	7.7
495.09378	3.8
508.79050	1.7
522.97107	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.6
57.03429	2.9
59.01378	29.8
61.98830	4.4
67.29185	1.8
67.86980	1.6
68.99535	2.4
69.03446	1.9
71.01387	26.7
71.31570	2.0
71.31988	2.5
73.02957	14.0
76.75284	1.5
78.95959	1.5
81.03400	1.7
83.01357	3.0
83.05013	8.4
85.02960	17.4
89.02456	17.8
95.01411	3.5
96.96011	11.3
96.96964	2.5
97.02971	2.7
97.06612	3.6
99.00870	3.3
99.04534	3.3
99.08183	3.9
101.02460	21.5
101.06081	2.9
107.14511	1.8
111.04528	22.3
113.02473	10.8
115.04033	1.8
119.03498	8.0
120.99596	2.3
121.02940	3.8
125.02454	4.6
127.07654	15.9
129.09241	2.3
131.03487	5.9
133.03026	1.9
141.09215	2.5
143.03529	2.0
147.10258	1.7
149.04535	5.0
149.05989	1.7
151.11302	7.5
152.04797	3.6
153.09221	2.1
156.40282	2.1
161.04533	11.6
163.04121	2.0
167.07204	2.3
169.12337	8.4
173.04529	3.1
176.96954	4.9
177.02014	2.1
179.05530	2.6
181.86894	1.8
183.88527	1.6
191.05649	2.0
197.11803	2.7
213.11255	2.2
219.17551	2.8
225.74405	2.1
237.11374	3.3
237.18626	4.1
263.16574	7.4
273.78284	1.8
281.17584	100.0
282.17911	4.3
289.07220	3.0
307.15527	13.7
323.18552	2.2
325.16650	23.7
326.17081	2.9
369.15546	19.0
369.22760	2.3
399.23898	11.7
487.21732	10.8
487.29352	6.0
531.20581	16.7
531.28192	19.4
539.70844	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84044	0.9
54.88733	0.8
55.01867	0.8
57.03440	4.5
59.01377	16.0
61.98814	1.6
62.25624	0.8
69.03468	1.1
71.01383	8.9
71.28616	1.3
72.99259	1.4
73.02959	5.5
78.16980	0.8
79.05515	0.9
80.30867	0.8
81.03467	1.3
82.95401	2.0
83.01381	1.6
83.05025	1.0
85.02938	4.6
87.00865	1.9
89.02463	3.5
92.74780	0.8
93.03507	1.0
97.02976	1.9
97.40264	0.7
99.00867	1.0
99.04523	3.5
101.02436	9.5
103.03989	2.1
109.06602	1.0
111.04547	1.8
111.08141	1.3
113.02463	2.9
119.03480	1.9
121.06554	1.3
125.02442	4.3
129.05594	12.0
131.03474	2.4
131.08701	0.9
135.04648	0.9
137.06116	1.6
143.03546	1.6
143.04994	0.8
155.07138	1.2
161.04573	12.3
163.07649	100.0
164.07971	2.6
167.05031	1.7
171.08220	1.3
177.09227	1.7
179.10754	1.0
181.06560	1.3
181.12352	1.5
183.04527	1.0
183.06285	0.8
205.07118	1.2
209.06088	5.0
215.10719	0.9
219.10258	1.0
225.05634	2.6
225.11258	4.3
227.07127	1.1
229.12277	2.3
251.10703	1.0
253.05077	26.3
254.05264	0.9
271.06091	1.4
276.11664	1.6
277.12234	4.5
295.13406	9.1
307.10339	1.9
313.14194	1.9
357.13342	1.0
383.14923	1.0
389.21240	2.4
399.23868	4.6
407.22357	2.3
433.20209	1.5
451.21280	21.9
452.21588	1.8
457.18961	2.1
469.22308	3.1
471.19092	1.5
473.18158	2.0
495.20270	5.5
513.21466	6.0
514.21014	1.0
531.21869	9.0
531.28400	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51956	3.6
57.03444	4.7
59.01383	52.3
69.04147	16.9
69.04566	16.1
71.01382	66.5
72.99294	3.7
73.02949	24.1
83.01390	7.4
85.02956	32.2
87.00888	4.9
89.02454	21.1
94.24377	3.1
95.01417	4.2
97.02968	9.9
99.00910	9.8
101.02444	43.4
105.86355	3.8
109.06583	3.8
113.02459	25.0
119.03474	4.2
131.03491	15.5
143.03499	6.5
159.03061	6.8
161.04585	38.8
169.63464	3.6
191.05626	3.9
193.16064	4.8
203.14442	8.5
221.15463	91.2
222.15884	3.9
222.97054	3.8
237.14984	18.5
265.14426	36.2
283.15530	51.0
289.98419	4.0
314.79120	3.5
325.16608	100.0
326.17050	5.8
399.23877	57.8
487.21848	14.1
531.22272	7.8
531.29004	5.9
548.92310	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66426	1.3
53.12539	1.3
55.01876	1.8
57.02770	1.2
57.03446	6.3
59.01382	51.4
61.98833	1.2
67.01906	1.9
69.03461	4.6
69.11901	1.2
71.01385	34.0
71.05022	1.8
71.31238	1.5
72.99313	24.9
73.02942	11.4
75.00876	2.8
78.95889	2.5
81.03484	2.1
83.01400	4.7
83.05013	3.3
85.02959	17.1
87.00901	3.0
89.02455	15.8
93.03461	3.6
95.01419	2.4
95.05053	11.5
96.96023	2.0
97.02963	5.5
97.06609	1.5
99.00865	2.4
99.04536	2.3
101.02452	22.2
103.04022	12.5
107.05059	2.1
109.02944	2.5
109.06614	5.4
111.04525	3.4
113.02461	7.4
119.03519	8.0
119.05020	1.4
119.08682	5.7
120.99677	1.4
121.03011	1.5
121.06651	1.9
122.03760	7.7
125.02443	12.0
127.03975	3.0
129.05603	1.4
131.03502	6.6
135.08199	2.9
137.06094	100.0
138.06458	1.9
139.07695	3.4
143.03543	2.7
145.02980	2.5
145.05110	2.8
145.06613	1.3
147.08150	1.6
148.05301	28.1
153.09224	2.4
159.02975	2.2
161.04585	10.3
161.09789	3.8
163.06163	11.5
163.07677	33.5
163.11333	2.0
164.07965	1.5
177.12894	2.2
182.09306	1.2
187.11308	4.4
191.05655	2.4
205.07069	1.6
205.12396	5.8
231.10381	3.0
247.08119	2.3
281.13974	46.3
282.14420	2.5
307.10336	7.4
341.59717	1.3
375.18112	5.9
399.23843	15.4
407.22470	1.4
425.23700	1.5
469.26404	3.0
485.25516	19.2
503.26535	17.1
513.25031	30.1
514.25555	2.1
519.35297	1.5
531.26233	81.1
532.26855	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.224
Annotation	Kadcoccilactone J
Peak:m/z	Relative Intensity
57.03447	3.6
59.01392	14.4
59.30691	1.8
63.58573	1.8
64.68330	1.9
69.03457	4.2
69.41994	4.3
69.42408	7.6
71.01390	18.0
72.99310	40.0
73.02953	8.0
75.00880	13.5
81.03472	2.8
83.05074	3.3
85.02947	9.6
89.02448	15.1
95.05038	2.3
97.02950	17.3
97.06628	2.9
99.04535	3.4
101.02444	14.5
108.02215	1.9
109.02953	3.8
111.04554	3.5
113.02444	5.1
120.76609	2.0
121.06633	2.3
122.03724	3.2
125.02508	4.1
131.03552	3.8
137.06117	8.7
139.07735	2.8
143.03572	2.1
149.04601	10.2
149.22858	2.0
149.24356	2.2
161.04620	3.8
163.07637	3.2
165.05635	2.8
165.09235	3.3
175.03993	2.1
179.35092	2.1
187.07538	1.9
191.05669	4.0
191.10854	4.0
204.08020	2.3
225.12843	2.5
227.09254	56.9
228.09657	2.3
229.91373	1.9
241.12549	2.5
293.08667	2.7
368.01535	1.9
369.22952	2.3
380.02890	2.2
397.17114	2.2
399.23923	6.5
495.20166	3.8
503.23541	3.0
513.21399	15.8
513.28326	4.5
531.22345	100.0
531.29053	21.1
532.22791	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.1
59.01139	0.6
60.99298	0.8
61.98818	0.6
66.48434	0.5
69.03462	8.9
69.45154	3.1
71.01036	0.6
71.01389	7.1
73.02945	2.9
76.44118	0.5
83.01395	1.2
85.02966	4.4
87.00879	1.4
89.02457	3.3
91.15979	0.5
94.04247	0.5
95.05032	0.8
97.02957	39.2
99.00880	0.8
99.04570	0.8
101.02438	5.3
107.04993	1.2
107.08661	1.6
108.05780	0.8
109.02943	0.8
109.06594	15.3
113.02448	3.3
115.04014	0.5
119.03500	0.6
121.06564	1.8
122.03746	1.0
123.04530	0.6
125.02406	1.0
131.03470	1.8
137.06056	1.6
141.07103	5.1
159.02966	0.9
159.08144	3.1
161.04602	3.0
161.09715	1.8
163.07611	0.7
163.11296	9.9
176.96942	1.1
189.09151	0.8
191.05574	0.9
199.11266	4.5
207.10199	1.9
209.67520	0.6
217.12312	0.8
251.14320	1.7
267.13995	0.6
269.15454	1.2
279.12424	1.7
309.18649	2.2
325.66556	0.6
389.19843	2.8
399.23886	3.9
469.22281	4.2
473.17636	0.7
513.21448	1.2
530.51715	0.6
531.22260	100.0
532.22491	9.8
532.29419	1.0
549.94952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2235
Annotation	Kadcoccilactone J
Peak:m/z	Relative Intensity
57.03456	7.7
59.01387	10.5
61.98832	3.6
69.03466	3.1
69.03842	13.6
69.04275	18.8
71.05021	4.7
72.04576	3.3
73.02950	21.9
78.37424	3.2
80.28741	4.6
83.05035	5.3
85.06626	3.5
87.00887	5.7
90.05923	3.3
96.96011	3.1
97.02975	11.1
98.22498	6.0
99.04524	6.5
107.05004	4.5
108.58653	3.3
109.06588	4.9
111.04523	4.9
121.06655	5.3
123.04565	6.6
135.04527	11.4
137.06119	11.8
149.06067	10.9
153.05516	4.0
161.09738	6.2
167.07184	3.9
175.04001	3.4
178.63228	3.5
179.10741	4.0
185.09662	3.3
189.05612	4.1
214.06767	3.6
297.14752	4.0
377.16235	5.8
381.16937	4.8
411.18240	11.8
451.21277	12.0
487.30927	4.1
501.21335	49.8
513.21063	9.4
531.22284	100.0
531.29486	10.9
532.22858	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.8
57.03450	4.5
58.00595	3.3
59.01383	85.6
60.01703	0.9
69.03458	1.5
69.09380	3.6
69.09804	5.3
71.01388	93.4
72.99306	6.8
73.02953	18.6
80.74947	0.9
83.01393	10.3
85.02961	29.3
86.00110	2.4
87.00880	13.8
88.98775	1.0
89.02454	83.3
95.01385	6.7
96.96033	1.5
97.02971	2.8
97.06586	1.4
99.00884	7.8
101.02451	61.0
101.15498	0.9
106.88860	0.9
107.03573	1.4
113.02459	40.0
118.17436	0.9
119.03509	31.9
123.08253	1.0
125.02464	2.2
125.06118	4.7
129.01996	2.6
131.03511	22.6
137.09724	1.3
143.03528	10.8
143.07140	12.8
149.04544	6.8
159.02965	4.2
159.04251	1.1
161.04576	41.9
173.04463	1.2
179.05626	100.0
189.12956	1.2
191.05641	5.4
207.13866	2.2
221.06683	91.0
222.06969	2.0
263.07733	43.6
264.08044	2.3
357.09604	2.2
527.71606	1.0
531.24634	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33609	12.9
54.19376	13.9
61.62476	12.9
69.10642	100.0
69.11052	30.5
87.17301	12.4
87.37543	13.8
293.83981	16.8
531.25458	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	34.2
67.13107	12.4
69.64379	20.6
69.64725	54.1
70.38799	13.0
78.21720	13.7
89.17560	12.3
97.02950	53.0
103.10773	13.8
112.48779	13.7
116.11950	12.2
129.53761	12.5
169.82230	15.7
173.83432	12.3
217.00227	15.6
236.99550	12.9
329.61697	13.7
393.24231	17.6
443.93173	13.8
449.18405	28.3
465.52203	15.2
531.25189	100.0
531.33594	33.2
541.56641	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44464	10.2
54.95416	9.9
59.01363	15.0
61.08893	11.0
61.98814	30.1
65.44385	9.1
65.84682	9.4
69.03214	100.0
73.02948	11.7
146.02574	11.7
178.89796	10.2
195.90758	10.5
206.97833	9.7
311.11749	10.0
318.61224	11.4
495.27704	68.7
531.24854	51.0
531.32764	11.9
545.52393	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
62.23243	13.3
64.83950	10.2
69.10280	24.3
69.10678	100.0
87.00875	41.8
98.22478	24.2
123.52313	13.9
271.05499	14.8
277.16638	13.7
466.59393	15.4
493.25940	47.5
494.26135	13.3
495.27118	16.7
513.28589	14.0
531.33063	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74683	26.9
59.01374	100.0
62.38075	25.2
98.21706	50.2
117.56748	29.1
129.53453	29.8
134.37073	26.5
146.43356	26.0
154.70241	26.6
229.13455	29.7
241.85030	32.8
462.94250	32.4
531.33734	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.3
57.03454	9.6
57.47047	1.7
59.01383	49.9
59.80655	2.2
61.98835	2.2
67.01884	2.2
69.03464	22.3
70.48476	4.2
71.01385	46.9
72.99300	13.4
73.02952	17.9
81.03465	3.8
83.01395	5.6
83.05032	12.6
85.02959	22.8
87.00877	4.7
89.02452	28.8
89.02962	2.6
93.03524	2.2
95.01386	4.4
95.05022	6.2
97.02958	100.0
99.00903	12.8
99.04518	3.1
101.02448	39.1
107.05082	2.7
108.02171	2.2
109.02944	3.0
109.06601	6.9
111.04539	2.6
111.08182	3.2
113.02446	14.2
115.05545	2.5
119.03529	4.5
119.05054	2.6
121.03019	3.3
121.06641	2.8
122.03741	2.9
125.02464	3.5
127.04030	6.0
129.05540	9.6
131.03526	8.1
131.05037	2.5
135.08298	2.3
137.06096	15.9
139.07693	2.5
147.04550	3.1
147.08160	2.5
149.04559	19.3
153.09221	3.5
160.05290	2.3
161.04575	14.4
161.05975	4.3
161.09734	2.8
173.06117	2.4
175.04060	2.1
175.07802	2.0
191.05638	6.9
193.08759	2.9
219.13939	4.5
221.09691	2.6
233.06650	4.3
235.11189	2.3
237.12929	2.7
239.10828	4.7
253.12376	3.2
255.13737	3.5
267.13760	3.0
269.15445	16.2
277.12527	2.5
279.13919	6.0
285.23349	2.4
295.13474	7.7
295.16797	2.4
297.15018	7.6
311.16638	3.8
327.19708	5.6
329.17780	2.7
347.19684	2.0
357.17102	10.6
389.21350	7.3
399.23917	31.4
400.24347	2.8
407.22366	7.7
415.21292	61.5
416.21503	6.1
433.22491	11.7
448.96057	2.5
451.21375	7.4
477.18881	3.7
487.30768	6.9
495.20377	6.4
513.21063	6.2
513.25720	5.8
531.22015	33.6
531.28046	45.6
532.22150	3.8
532.29053	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67805	0.5
55.01859	1.3
57.03449	6.8
58.00566	0.6
59.01385	16.6
64.29297	0.5
67.01907	0.5
69.03432	1.8
71.01385	16.6
71.04998	1.1
71.32135	1.0
72.99273	2.4
73.02953	5.1
81.03461	0.8
83.01353	1.9
83.04990	2.0
85.02963	7.5
87.00883	7.8
89.02451	14.4
93.03453	1.0
95.01351	1.2
95.05016	1.9
97.02949	5.9
97.06629	3.3
99.00871	1.8
99.04470	1.9
101.02451	12.1
107.05022	1.5
109.02927	0.8
109.06538	1.9
111.04473	1.1
113.02474	5.0
119.03433	2.4
121.02938	1.1
121.06567	1.8
123.08120	1.8
125.02386	0.9
125.06031	1.9
126.03172	0.8
127.03913	1.0
131.03514	6.5
135.08127	1.2
137.02417	1.0
137.05997	0.7
139.07576	2.1
143.03397	0.9
147.08087	0.7
149.04475	5.3
149.05847	1.1
149.09685	0.8
159.02870	0.8
159.08141	0.7
161.04581	4.2
171.97560	0.6
179.05574	1.0
179.10733	1.0
185.09686	0.7
185.13326	1.0
187.07513	0.9
187.11259	0.9
187.14839	0.6
189.09087	0.9
191.05611	3.3
201.12769	0.9
203.14288	2.3
205.08762	0.7
209.11708	1.1
217.01320	0.8
217.95836	0.7
227.14302	1.9
233.06546	0.7
259.16779	1.1
283.16968	4.9
299.20026	0.7
301.18073	4.6
323.19864	1.8
327.15973	0.8
337.25320	0.8
341.21204	3.5
342.21320	0.6
345.17078	0.7
345.21194	0.7
349.21695	1.5
367.22586	0.9
369.22940	0.6
399.18982	0.8
399.23868	14.0
400.24268	1.5
404.74265	0.7
415.24634	0.7
427.24908	0.8
437.12143	0.9
445.26050	11.6
446.26056	1.7
469.29657	1.0
487.30936	4.1
489.18835	0.8
489.24994	12.3
490.24893	1.3
513.27997	1.1
531.25653	100.0
532.25977	9.9
545.67908	0.7
554.47076	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11182	3.6
52.16101	3.4
55.01871	4.5
57.03433	11.1
59.01130	5.0
59.01387	58.3
61.98829	7.2
67.49763	3.9
69.03444	4.4
69.28457	7.8
69.28868	30.8
70.67894	3.9
71.01392	75.0
73.02937	20.7
82.95419	100.0
83.01403	12.9
84.00909	4.6
85.02975	29.0
87.00889	4.9
89.02450	44.5
89.42551	3.4
95.01387	4.2
97.02953	6.1
98.21741	4.2
99.00872	11.4
99.04520	7.6
101.02447	46.6
109.55103	3.8
113.02454	29.2
119.03549	7.1
125.02477	11.1
131.03491	20.5
137.09769	4.1
142.71153	3.7
143.03392	4.0
149.04550	15.1
161.04601	36.8
161.05801	6.7
172.29016	3.9
189.01996	3.7
191.05618	4.3
324.06357	23.6
331.25018	4.6
334.48917	4.2
339.09027	18.5
340.09137	4.0
354.11160	17.3
369.13455	33.6
369.22128	4.2
399.23929	73.3
419.11267	5.2
443.22482	4.4
499.19730	6.6
503.42130	4.4
531.28217	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	6.4
59.01391	16.1
59.51705	2.5
61.98813	2.8
66.54332	2.4
69.03462	2.6
69.04665	24.5
71.01393	13.7
71.05013	2.5
73.02938	7.4
81.03478	3.2
83.05026	2.9
83.76305	2.0
85.02943	7.2
87.00864	2.4
87.97359	2.6
89.02443	24.1
97.02985	5.3
99.04532	5.7
101.02431	10.4
103.33327	2.3
103.95647	2.2
113.02475	5.2
119.03508	2.5
135.08122	3.0
139.07678	4.2
149.04471	5.1
151.11264	7.4
151.18192	2.3
161.04538	6.4
171.11771	5.2
177.12820	3.7
203.10800	3.0
213.16386	2.9
227.09113	3.1
231.13867	3.4
240.15262	3.8
261.28815	2.3
297.18655	3.2
341.17639	5.7
349.25320	5.4
369.22821	3.2
392.87341	2.4
393.24307	17.2
399.23956	19.2
401.68182	2.6
410.01440	2.7
411.25363	27.5
429.26569	15.2
463.82574	2.3
469.29590	17.3
487.30704	100.0
488.30737	6.9
501.16809	2.7
531.29828	39.4
532.30048	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33250	0.7
54.95884	0.7
55.01863	1.1
57.03431	3.4
57.08696	0.6
58.00582	1.6
59.01385	20.0
61.98831	3.0
69.03460	5.7
70.87314	0.6
71.01387	16.6
71.05016	0.9
71.32207	1.1
72.99313	16.5
73.02576	1.0
73.02951	12.9
75.00871	5.1
76.00709	0.7
76.01250	0.7
81.03457	1.5
83.01385	1.8
83.05032	3.1
85.02953	7.1
87.00883	2.1
89.01885	0.9
89.02447	16.9
91.40955	0.6
93.03453	1.1
95.01402	1.4
95.05042	1.5
97.02960	24.7
97.06582	2.7
99.00865	1.6
99.04519	1.9
101.02453	11.3
107.05003	1.3
109.02962	0.7
109.06573	1.5
111.00925	0.9
113.02454	6.5
115.03978	0.6
119.03503	3.7
122.03709	0.9
123.04493	1.3
123.08135	2.6
124.78795	0.8
125.02427	2.4
125.09670	1.0
126.03217	2.9
131.03537	5.2
135.08141	2.0
136.05165	0.7
137.02441	1.2
137.06128	4.3
137.09731	2.9
139.07631	1.5
139.11325	6.0
143.03494	1.1
147.08167	1.1
149.04582	5.4
149.09789	0.9
149.37225	0.7
151.11281	1.1
153.09282	1.0
157.12282	1.5
161.04579	5.4
163.07721	0.8
165.05540	0.9
165.09213	1.8
167.10760	1.2
169.12433	0.7
177.01944	1.7
179.05614	1.4
181.12360	1.1
185.11826	15.7
189.01926	0.8
191.05647	3.2
209.08072	0.7
213.11249	2.2
214.12134	2.0
215.12720	0.9
216.00609	1.0
227.09262	25.0
228.09581	1.2
241.10608	1.3
243.15872	0.8
283.05878	0.9
289.21771	2.5
307.22787	8.1
311.05579	1.7
323.22342	1.3
325.23853	49.0
326.24118	2.5
331.22693	1.9
333.20749	8.7
334.21542	0.7
339.25076	0.8
340.69321	0.7
351.21741	6.4
367.26233	1.1
369.22821	100.0
370.23126	7.5
389.26822	1.0
399.23834	6.4
411.24045	3.1
419.11261	2.4
487.30710	4.2
495.20294	1.1
503.23190	1.1
513.21332	5.5
513.28595	9.8
514.28760	1.3
531.22302	28.7
531.29303	22.4
532.22809	2.2
532.29938	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.6
57.03456	6.2
57.38756	0.5
58.00594	4.9
59.01385	100.0
60.01717	1.0
61.47453	0.6
69.03471	2.4
71.01389	87.2
71.05027	1.2
72.01712	1.2
72.99318	5.2
73.02953	17.3
75.00892	1.1
81.03481	0.9
83.01402	8.8
83.05051	1.3
85.02957	28.4
87.00880	5.5
89.02454	87.7
90.02766	1.2
93.03485	0.7
95.01394	6.2
95.05059	0.6
97.02969	4.7
97.06657	0.7
98.22137	4.0
99.00902	8.4
99.04514	1.1
101.02453	65.7
103.03994	0.7
107.05050	0.8
109.06631	1.2
111.00905	1.4
111.04486	0.7
113.02462	37.1
115.04044	0.7
119.03513	36.7
120.03911	0.6
125.02465	3.9
129.01974	1.8
131.03514	24.0
135.04561	0.9
137.06117	2.5
143.03511	9.9
149.04572	13.1
159.03035	3.1
161.03246	1.4
161.04570	21.5
161.09846	0.6
173.04608	0.7
179.05627	13.5
189.09216	0.7
191.05638	11.6
215.63190	0.6
220.96539	0.6
267.06534	0.7
293.08743	0.7
325.23935	1.3
347.14981	1.1
369.22440	1.6
399.23898	93.7
400.24213	7.4
411.18494	0.8
429.19162	1.6
455.16946	1.5
457.18735	2.7
469.22055	0.8
471.22324	0.7
473.17950	1.0
513.21191	2.4
513.28357	0.8
531.20935	5.7
531.29059	9.1
532.29053	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33250	0.7
54.95884	0.7
55.01863	1.1
57.03431	3.4
57.08696	0.6
58.00582	1.6
59.01385	20.0
61.98831	3.0
69.03460	5.7
70.87314	0.6
71.01387	16.6
71.05016	0.9
71.32207	1.1
72.99313	16.5
73.02576	1.0
73.02951	12.9
75.00871	5.1
76.00709	0.7
76.01250	0.7
81.03457	1.5
83.01385	1.8
83.05032	3.1
85.02953	7.1
87.00883	2.1
89.01885	0.9
89.02447	16.9
91.40955	0.6
93.03453	1.1
95.01402	1.4
95.05042	1.5
97.02960	24.7
97.06582	2.7
99.00865	1.6
99.04519	1.9
101.02453	11.3
107.05003	1.3
109.02962	0.7
109.06573	1.5
111.00925	0.9
113.02454	6.5
115.03978	0.6
119.03503	3.7
122.03709	0.9
123.04493	1.3
123.08135	2.6
124.78795	0.8
125.02427	2.4
125.09670	1.0
126.03217	2.9
131.03537	5.2
135.08141	2.0
136.05165	0.7
137.02441	1.2
137.06128	4.3
137.09731	2.9
139.07631	1.5
139.11325	6.0
143.03494	1.1
147.08167	1.1
149.04582	5.4
149.09789	0.9
149.37225	0.7
151.11281	1.1
153.09282	1.0
157.12282	1.5
161.04579	5.4
163.07721	0.8
165.05540	0.9
165.09213	1.8
167.10760	1.2
169.12433	0.7
177.01944	1.7
179.05614	1.4
181.12360	1.1
185.11826	15.7
189.01926	0.8
191.05647	3.2
209.08072	0.7
213.11249	2.2
214.12134	2.0
215.12720	0.9
216.00609	1.0
227.09262	25.0
228.09581	1.2
241.10608	1.3
243.15872	0.8
283.05878	0.9
289.21771	2.5
307.22787	8.1
311.05579	1.7
323.22342	1.3
325.23853	49.0
326.24118	2.5
331.22693	1.9
333.20749	8.7
334.21542	0.7
339.25076	0.8
340.69321	0.7
351.21741	6.4
367.26233	1.1
369.22821	100.0
370.23126	7.5
389.26822	1.0
399.23834	6.4
411.24045	3.1
419.11261	2.4
487.30710	4.2
495.20294	1.1
503.23190	1.1
513.21332	5.5
513.28595	9.8
514.28760	1.3
531.22302	28.7
531.29303	22.4
532.22809	2.2
532.29938	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	5.5
57.03222	0.8
57.03456	6.3
57.03685	1.1
58.00583	2.7
59.01385	63.4
66.18318	1.0
67.01914	1.2
69.03464	13.0
71.01388	100.0
71.04128	1.0
71.31234	1.0
71.31622	1.5
72.99319	5.9
72.99657	0.8
73.02955	29.6
75.00877	2.5
81.03462	1.5
83.01395	12.8
83.05013	1.1
84.02147	1.4
85.02959	41.1
87.00873	5.4
89.02453	51.7
93.03484	1.4
95.01395	7.3
95.05028	1.3
97.02956	47.4
99.00888	15.9
100.49427	0.9
101.02453	69.3
102.02776	1.4
109.06602	1.1
113.02459	38.6
115.04009	1.1
119.03514	6.8
121.06654	1.5
125.02480	8.3
129.01950	1.9
129.05583	1.3
131.03511	16.8
135.04568	1.7
137.06088	6.2
143.03502	10.0
149.04575	10.9
153.05502	1.1
159.03024	8.8
159.08168	1.2
161.04567	70.6
162.04849	1.8
163.07718	1.6
175.07671	2.3
177.09206	2.6
179.05638	4.4
191.05595	6.1
205.03569	1.9
227.14462	1.1
233.06734	3.2
237.18573	8.3
287.16525	6.9
293.08780	2.5
347.18695	12.1
348.19037	1.1
357.17224	1.5
369.22601	1.8
375.18094	10.5
399.23901	88.8
400.24332	7.3
405.22574	2.4
415.21127	1.0
433.22382	18.6
434.22516	1.6
441.19260	1.2
459.19824	1.3
513.20697	1.5
531.29102	12.3
532.29132	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2968
Annotation	Ganoderic acid G
Peak:m/z	Relative Intensity
55.01876	3.0
57.03436	7.5
59.01383	22.5
69.03455	4.2
69.95080	6.3
71.01384	21.4
71.05006	2.0
72.99318	2.3
73.02969	8.2
81.03465	2.4
81.07081	2.0
83.01403	3.1
83.05009	1.4
85.02956	8.4
87.04524	1.9
89.02453	27.4
90.42215	1.7
97.02969	4.5
97.06590	3.0
99.00891	2.8
99.04543	4.9
100.61276	1.6
101.02462	14.3
108.02225	1.9
109.03011	1.6
113.02466	8.7
115.04053	1.8
119.03504	4.8
123.04634	2.1
131.03508	6.9
134.33109	1.6
135.08179	2.2
137.06110	4.3
139.07663	6.0
142.77286	1.5
149.04568	4.6
151.11304	7.1
159.01077	1.6
161.04553	8.3
171.11858	5.1
174.38025	1.7
177.12955	3.1
191.05644	2.4
203.10817	3.6
227.09212	1.7
231.13763	2.3
240.15240	4.9
241.12372	1.7
253.16238	2.4
269.15906	1.8
269.19122	2.6
297.18472	1.8
325.23853	3.1
331.24265	2.2
341.17599	7.9
349.25363	10.1
350.25757	2.0
353.25009	2.4
367.26492	4.0
369.22797	5.5
375.23373	3.2
393.24326	18.2
399.23636	16.4
399.27573	1.5
400.24176	1.7
411.25397	24.9
429.26529	13.4
457.29611	3.5
469.29745	15.5
473.25684	3.4
487.30728	100.0
488.31064	9.2
513.28204	2.1
531.29694	51.0
532.29663	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.0
57.03436	7.5
59.01383	22.5
69.03455	4.2
69.95080	6.3
71.01384	21.4
71.05006	2.0
72.99318	2.3
73.02969	8.2
81.03465	2.4
81.07081	2.0
83.01403	3.1
83.05009	1.4
85.02956	8.4
87.04524	1.9
89.02453	27.4
90.42215	1.7
97.02969	4.5
97.06590	3.0
99.00891	2.8
99.04543	4.9
100.61276	1.6
101.02462	14.3
108.02225	1.9
109.03011	1.6
113.02466	8.7
115.04053	1.8
119.03504	4.8
123.04634	2.1
131.03508	6.9
134.33109	1.6
135.08179	2.2
137.06110	4.3
139.07663	6.0
142.77286	1.5
149.04568	4.6
151.11304	7.1
159.01077	1.6
161.04553	8.3
171.11858	5.1
174.38025	1.7
177.12955	3.1
191.05644	2.4
203.10817	3.6
227.09212	1.7
231.13763	2.3
240.15240	4.9
241.12372	1.7
253.16238	2.4
269.15906	1.8
269.19122	2.6
297.18472	1.8
325.23853	3.1
331.24265	2.2
341.17599	7.9
349.25363	10.1
350.25757	2.0
353.25009	2.4
367.26492	4.0
369.22797	5.5
375.23373	3.2
393.24326	18.2
399.23636	16.4
399.27573	1.5
400.24176	1.7
411.25397	24.9
429.26529	13.4
457.29611	3.5
469.29745	15.5
473.25684	3.4
487.30728	100.0
488.31064	9.2
513.28204	2.1
531.29694	51.0
532.29663	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.85757	16.7
63.72544	19.1
69.03420	17.9
71.01379	76.0
73.02941	29.8
74.26226	18.5
77.59120	16.9
83.05044	34.0
85.02957	38.8
89.02448	81.2
97.02966	19.8
98.21784	33.5
99.00875	29.0
101.02448	39.3
111.94144	16.4
113.02526	18.4
124.14445	16.3
149.04552	41.2
161.04565	33.8
161.27808	17.4
169.71141	20.0
174.07657	21.6
191.05515	22.2
357.13260	26.1
400.24222	29.5
411.43826	18.4
532.22614	79.1
532.29053	48.3
533.31158	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80194	10.9
61.05209	11.2
61.98849	13.9
65.23192	11.5
67.79444	11.9
68.99307	100.0
75.61332	11.2
87.93900	11.0
90.25466	11.9
90.95652	10.8
98.22537	26.8
98.87463	13.7
142.13922	12.1
239.29567	12.4
442.01306	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23816	9.4
61.98839	82.3
63.54416	7.7
66.53911	8.4
69.02100	100.0
72.63998	9.8
83.86414	8.6
84.20258	8.8
87.41749	8.7
98.22530	20.8
270.42624	10.9
342.18295	8.7
381.45078	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.9
73.10032	1.6
80.91689	43.5
82.95412	9.7
83.01407	6.8
93.03460	2.7
96.01480	2.0
96.77596	2.0
97.02940	4.2
98.21780	6.5
109.02979	17.9
113.46580	2.1
120.25135	1.8
121.02968	4.8
123.04567	10.8
125.02472	13.1
135.04488	2.2
136.06844	1.8
137.02454	100.0
139.03958	2.2
149.02425	7.5
150.03197	2.4
151.03993	8.2
159.04469	2.4
161.02481	10.2
161.06097	2.5
165.01932	8.0
175.04060	2.0
179.03439	4.5
187.04004	4.5
191.02055	5.9
203.07182	7.1
205.05139	7.1
227.03252	2.2
227.07130	3.4
233.03024	7.4
239.05817	2.7
243.06354	5.7
245.08212	11.6
257.06827	2.9
283.04520	2.8
285.06332	9.3
289.07199	85.9
290.07440	3.1
311.05426	82.6
312.05692	4.8
329.05240	21.4
332.03107	1.9
343.03244	3.1
371.06320	4.9
402.35611	2.1
451.12579	16.8
473.09772	26.7
474.10077	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66367	1.6
66.69874	1.9
69.03455	3.2
69.41786	2.8
69.42191	8.5
79.38428	1.8
80.91692	36.0
81.03455	2.5
82.95411	4.3
83.01388	7.2
97.02954	5.6
98.22620	1.7
105.69795	1.7
109.02975	18.4
120.71255	1.5
121.02970	3.1
123.04553	12.6
125.02462	13.9
137.02455	100.0
138.02821	3.4
139.03989	2.8
149.02422	6.4
150.03166	2.4
151.04070	9.9
159.04544	2.2
161.02411	10.8
161.06119	2.1
162.03166	2.5
163.04066	2.7
164.01208	2.5
165.01958	6.4
167.03519	2.7
179.03458	6.0
187.04008	5.2
188.04776	2.3
189.01964	1.8
191.02017	4.1
201.05533	2.4
203.07176	9.1
205.05038	6.5
227.07101	2.0
233.03069	7.0
239.05765	2.6
243.06337	3.2
245.08180	15.8
257.06729	2.5
285.06219	5.9
289.07202	79.5
290.07547	2.3
299.07889	4.0
311.05411	94.2
312.05664	3.4
329.05176	17.5
343.03003	5.5
371.05951	4.4
451.12418	20.5
473.09824	21.7
533.11310	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.8
60.99290	0.4
63.96240	0.4
67.01884	1.5
68.32608	0.3
69.03433	0.4
70.33483	0.4
70.33842	1.1
71.01377	1.6
83.05057	0.5
85.02959	5.8
87.00879	2.6
89.02451	0.4
90.90624	0.3
93.03466	12.4
95.68340	0.3
101.02451	0.4
102.42645	0.3
109.02958	4.5
111.04515	1.6
115.03989	0.3
116.12875	0.3
117.97331	2.0
121.02934	0.4
125.02507	0.6
127.04026	1.7
131.03506	0.3
133.02959	1.0
134.03761	1.1
135.04538	24.4
137.02454	0.4
145.02992	0.5
149.06102	2.5
155.03508	0.8
161.02449	3.6
161.06096	1.1
163.07607	0.4
171.03008	0.6
173.04544	5.1
179.01889	0.5
179.03508	14.4
191.05624	100.0
192.05923	2.4
242.05862	1.3
243.06516	0.5
255.06717	1.2
271.09766	1.8
297.07730	1.0
299.05756	0.9
341.06406	0.6
353.04520	0.3
353.08771	5.2
359.07724	1.3
489.14053	7.0
490.14465	0.7
533.13043	11.7
534.13562	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03186	0.6
57.03452	11.6
59.01386	4.6
61.98836	0.4
69.03461	0.6
69.50254	0.5
71.01387	3.4
71.30724	0.7
73.02936	1.2
81.03468	1.5
83.01404	4.2
85.02966	2.9
87.00894	0.8
89.02435	2.3
93.03503	0.7
96.32928	0.5
96.88640	0.5
97.02954	1.6
99.00920	0.8
101.02452	2.1
103.04034	1.3
109.02961	1.6
111.04546	0.7
113.02444	0.5
119.03534	1.1
121.02968	1.8
125.02456	100.0
126.02802	2.1
131.03485	0.7
135.04520	1.1
137.02470	1.1
139.04002	1.6
147.04523	1.1
149.02437	8.3
149.04536	1.0
149.06091	1.6
150.03233	3.5
161.02524	0.6
163.04021	0.6
163.06180	1.5
165.05585	5.3
167.03494	1.3
173.04604	0.6
175.04065	0.6
179.03519	1.2
191.05589	5.4
209.04480	0.6
225.04097	2.1
247.08258	1.3
253.08691	1.9
271.09793	1.8
297.07492	0.5
307.10187	1.1
339.85962	0.5
359.07767	1.2
433.13541	16.1
434.13797	0.8
473.16641	0.6
523.10901	0.5
533.13062	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03186	0.6
57.03452	11.6
59.01386	4.6
61.98836	0.4
69.03461	0.6
69.50254	0.5
71.01387	3.4
71.30724	0.7
73.02936	1.2
81.03468	1.5
83.01404	4.2
85.02966	2.9
87.00894	0.8
89.02435	2.3
93.03503	0.7
96.32928	0.5
96.88640	0.5
97.02954	1.6
99.00920	0.8
101.02452	2.1
103.04034	1.3
109.02961	1.6
111.04546	0.7
113.02444	0.5
119.03534	1.1
121.02968	1.8
125.02456	100.0
126.02802	2.1
131.03485	0.7
135.04520	1.1
137.02470	1.1
139.04002	1.6
147.04523	1.1
149.02437	8.3
149.04536	1.0
149.06091	1.6
150.03233	3.5
161.02524	0.6
163.04021	0.6
163.06180	1.5
165.05585	5.3
167.03494	1.3
173.04604	0.6
175.04065	0.6
179.03519	1.2
191.05589	5.4
209.04480	0.6
225.04097	2.1
247.08258	1.3
253.08691	1.9
271.09793	1.8
297.07492	0.5
307.10187	1.1
339.85962	0.5
359.07767	1.2
433.13541	16.1
434.13797	0.8
473.16641	0.6
523.10901	0.5
533.13062	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01094	0.5
59.01381	9.2
61.98828	2.1
67.36696	0.4
68.14740	0.3
69.09671	3.0
71.96458	0.3
78.95904	30.7
96.96005	1.7
96.96956	1.4
98.22521	0.8
98.95612	1.8
99.92594	0.6
115.92144	0.5
116.92857	1.2
130.89989	0.4
152.99591	7.1
178.88434	6.6
179.89256	4.1
180.89998	7.1
182.48633	0.4
194.87859	0.5
196.89490	100.0
197.89534	3.6
234.90965	0.5
235.91924	0.5
238.04114	0.4
252.92148	0.8
433.23782	0.9
438.03806	0.4
452.49350	0.4
457.11130	0.5
459.12360	0.5
474.92490	0.4
533.16278	5.6
534.16522	0.9
534.31946	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92478	0.3
59.01377	1.1
61.75654	0.3
67.46821	0.3
71.01389	0.8
73.02946	0.4
81.03468	0.4
82.00793	0.3
83.05006	0.5
85.02959	9.6
87.00884	1.8
93.03455	3.2
98.21761	0.9
98.82561	0.3
99.04533	0.5
109.02943	0.6
111.04533	0.6
127.04032	2.6
171.02991	0.4
173.04535	0.9
181.63875	0.3
191.05620	100.0
191.17480	0.3
192.06013	2.3
224.94560	0.4
401.57993	0.3
470.93411	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52971	0.7
57.03455	1.4
59.01377	2.7
67.19320	0.7
71.01368	2.0
81.03469	8.5
83.01401	3.4
84.23177	0.7
85.02941	1.1
89.02472	1.2
93.03457	1.4
95.01385	1.0
95.05026	9.9
97.02956	4.4
99.04541	4.3
99.08190	1.8
99.74496	0.9
101.02441	1.5
101.06081	1.6
109.02947	1.2
113.02457	1.9
119.03530	0.8
123.04546	5.7
123.08180	3.0
125.02457	21.1
125.06066	5.5
135.04564	1.3
137.02426	4.0
139.04013	1.7
149.02414	1.8
151.04022	0.9
155.03458	1.4
156.18001	0.7
161.02505	1.2
163.03972	1.6
164.08466	1.6
164.10449	0.7
165.01894	1.2
165.09221	9.4
166.02654	1.2
166.32675	0.8
167.03503	42.1
167.07208	1.6
168.03867	1.9
179.03465	1.6
179.10789	10.4
181.05048	0.8
181.08676	1.7
183.10217	0.9
191.03535	2.2
191.05513	1.2
197.04549	6.0
207.10254	1.9
209.04880	1.0
209.08185	22.9
210.08575	1.1
219.10207	0.9
221.08195	9.5
223.09868	2.1
235.09789	1.6
248.06873	1.4
249.07648	1.5
251.09258	100.0
252.09648	6.2
263.09326	3.4
275.09235	3.2
281.10330	28.9
281.13516	1.5
282.10504	1.6
293.10324	3.2
335.17126	7.5
353.12173	0.9
413.14563	59.0
414.14972	5.3
425.14462	1.1
443.15607	24.8
444.15897	1.8
455.15594	2.7
515.17688	2.3
533.19000	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.6
69.03457	1.3
71.01382	2.5
73.02972	0.9
79.01938	1.0
81.03468	3.4
83.01401	6.2
85.02985	1.2
95.01424	1.7
95.05049	3.9
96.96002	1.3
97.02966	3.7
98.95596	1.1
99.08177	1.9
101.06099	4.0
105.39637	0.8
107.01356	1.0
109.03001	2.0
111.04570	2.0
113.02455	2.1
121.02969	1.5
123.04539	4.2
125.02462	9.4
125.06099	11.8
127.07684	1.5
135.04532	1.9
137.02472	3.9
139.04021	5.7
141.09265	1.2
149.09892	0.9
151.04039	2.7
163.04056	1.0
164.04802	1.1
165.01952	1.6
165.05626	1.5
165.09213	6.6
167.03506	15.7
167.07167	1.0
177.05608	1.3
177.09215	2.0
179.03458	1.5
179.10814	3.7
181.08774	3.1
183.10202	1.4
193.12469	0.9
197.04520	4.7
205.08740	2.7
207.06754	1.4
207.10332	1.7
209.04605	9.8
209.08180	12.1
219.10258	1.4
221.04587	1.2
221.08192	4.7
221.11870	1.6
223.09702	2.3
233.08287	1.6
235.09785	2.8
239.05608	4.2
242.13882	1.0
247.09747	2.1
251.09261	21.4
261.07712	1.3
263.09274	11.2
265.10947	1.1
269.42691	0.9
275.09363	1.4
277.10873	1.4
281.10318	7.6
290.07852	1.1
291.08768	1.2
293.10342	100.0
294.10800	4.4
305.10333	4.7
307.11957	1.7
323.11386	73.6
324.11676	4.3
335.11478	2.8
353.12482	21.2
354.12766	1.2
365.12436	2.2
382.94913	1.0
395.13516	7.7
413.14554	17.8
414.15100	1.6
425.14651	5.7
443.15613	1.6
489.30676	4.7
515.17059	1.3
533.00134	1.5
533.18671	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73197	0.8
55.01883	6.1
57.03458	4.5
58.00605	1.7
58.37934	0.9
59.01382	45.9
61.98817	2.0
64.93381	0.8
69.03442	1.5
71.01389	84.3
71.30753	1.3
72.99302	3.5
73.02953	31.9
75.00884	1.3
83.01395	12.3
85.02958	40.4
86.03271	0.8
87.00877	3.5
88.98843	1.2
89.02453	20.8
93.03535	1.1
95.01411	4.2
97.02966	5.0
99.00888	30.3
101.02450	63.1
109.02959	1.5
111.00902	0.9
113.02459	31.7
116.82462	1.0
119.03523	1.3
125.02473	11.3
129.01942	1.3
131.02548	1.9
131.03514	29.8
132.03841	0.9
133.59377	0.8
135.04515	5.1
143.03532	5.3
147.04518	1.2
149.04538	5.2
159.03015	9.9
161.04575	39.4
161.09779	1.1
162.04893	1.3
173.04553	2.0
179.03462	2.5
179.10754	1.5
191.05612	10.9
205.03581	1.0
219.03044	2.5
253.08727	2.0
269.10324	94.9
270.10703	4.6
271.09818	0.9
293.08646	1.6
295.91885	0.9
313.09247	1.4
359.07913	1.8
383.13663	1.5
401.14539	100.0
402.14981	7.3
470.73865	1.0
533.18781	87.2
534.19110	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91193	1.3
59.01376	6.0
69.44494	6.0
69.44913	2.8
71.01389	4.7
73.02940	3.5
81.03461	5.7
83.01395	4.8
83.05032	1.3
84.95144	3.4
85.02917	2.0
88.00404	1.3
89.02496	2.1
95.01392	2.7
95.05042	5.2
97.02954	3.0
98.22615	1.4
98.93665	1.2
99.04566	1.6
99.08194	1.7
101.02452	2.5
101.06078	2.5
105.92379	1.2
107.05016	1.8
109.02950	3.6
113.02464	2.7
121.03013	2.3
123.04542	5.9
123.08128	1.3
125.02471	9.3
125.06103	12.6
131.45596	1.2
137.02452	3.7
137.06070	2.4
137.09726	1.6
139.04030	5.2
147.04506	2.3
152.07069	1.3
155.03564	1.6
165.05598	3.0
165.09233	8.0
167.03493	15.8
176.15443	1.1
177.09146	2.0
179.03465	2.8
179.10799	4.3
181.08737	4.3
183.19801	1.4
190.15314	1.6
197.04562	2.2
197.11931	2.0
207.10263	2.0
209.04631	17.8
209.08177	25.7
221.08243	3.6
223.09581	1.5
235.09769	3.0
239.05508	6.5
251.09274	21.3
263.09308	11.8
277.10910	2.0
281.07553	1.5
281.10208	6.5
293.10330	100.0
294.10632	6.5
305.10349	6.3
323.11362	68.5
324.11743	5.2
335.11328	3.7
353.12415	21.7
353.91058	1.7
365.12860	1.8
395.13382	6.3
413.14560	11.0
425.14618	4.6
443.15601	2.1
489.30499	4.0
504.74200	1.6
533.18756	8.9
533.29718	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2183
Annotation	Kadsuphilol D
Peak:m/z	Relative Intensity
59.01371	1.1
61.98833	2.0
66.06116	0.8
68.62359	0.8
68.99709	6.1
78.27611	0.8
82.37242	0.8
89.45665	0.8
116.88011	0.8
126.93848	0.9
135.86971	0.9
144.87328	0.8
145.06557	1.8
147.04550	10.4
218.71095	0.9
237.05553	0.9
256.03815	1.0
257.04477	1.0
265.05273	1.0
269.04465	1.2
269.08115	1.3
270.05212	1.3
271.02521	1.9
281.08188	3.2
282.05325	9.0
285.04086	1.9
286.04779	1.6
287.05450	1.6
296.10345	3.8
297.07672	12.7
299.05777	1.8
300.06461	1.4
301.07257	1.1
310.04889	4.9
310.07907	0.9
312.10153	4.9
325.07187	13.4
326.07898	3.0
327.05142	12.1
327.08777	4.8
327.12094	1.3
340.09503	12.5
341.10272	6.1
342.07452	6.4
342.11157	2.9
343.07996	1.6
355.11887	15.4
356.12448	3.2
357.09769	14.7
357.13553	2.5
358.10464	2.6
364.39328	0.9
371.15045	2.2
372.12308	1.0
373.13016	2.3
385.07379	0.9
387.14572	3.5
403.08466	1.2
403.17883	1.0
417.09988	1.1
471.14627	1.7
473.12216	1.2
475.17615	1.6
485.15851	1.2
486.17532	1.1
487.17596	1.2
489.34070	0.9
503.17053	10.8
518.19519	26.7
519.19775	4.2
533.21851	100.0
534.22223	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.8
59.94020	0.9
71.32257	1.3
94.45499	1.0
94.74007	1.0
100.89806	1.1
116.35382	1.1
147.04543	38.6
160.00827	1.0
163.59546	1.0
225.09109	1.0
240.04362	1.3
241.08650	1.5
253.08710	1.7
255.02985	1.3
255.10258	1.3
265.04993	1.0
265.08734	1.7
268.03772	4.0
269.08197	2.7
278.11627	1.1
281.08249	7.1
294.09079	2.0
295.09763	1.5
296.10403	2.8
297.04446	2.1
297.07739	7.9
299.12848	1.9
308.07043	2.3
309.07770	21.9
310.08353	3.4
311.12891	1.7
312.09985	1.7
323.09332	4.7
324.06717	1.0
324.10059	24.0
324.13495	1.1
325.07162	10.3
325.10797	8.9
326.11102	1.1
327.12259	3.1
338.11612	2.8
339.08701	1.7
339.12363	25.3
340.09457	4.7
340.13141	4.0
353.13928	2.4
354.10797	1.9
354.14728	19.6
355.11829	31.6
355.15363	2.9
356.12241	2.8
369.13287	2.1
370.14267	16.7
371.14548	1.4
385.16602	100.0
386.16846	5.8
497.28967	1.6
540.91888	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.8
57.03457	6.9
58.00581	3.8
59.01384	79.7
60.01707	1.0
69.03451	3.0
69.04974	6.7
69.05399	3.0
71.01385	77.6
72.99318	6.0
73.02947	10.0
74.30530	0.8
74.50970	0.9
75.00870	1.1
81.03457	2.9
83.01389	6.7
83.05053	1.3
85.02959	21.1
87.00890	5.1
88.98807	1.3
89.02452	100.0
93.03477	3.6
95.01397	2.1
95.05029	1.8
97.02955	6.8
98.22604	1.1
99.00881	10.2
99.04517	1.4
100.31300	0.9
101.02454	39.9
107.05028	1.0
108.02167	2.4
109.02959	11.3
109.06612	2.3
109.77335	0.9
111.04536	2.6
113.02457	15.5
115.00365	1.3
119.03497	8.3
119.05043	1.0
121.02959	2.9
121.06608	5.9
122.03765	4.4
123.04507	1.8
124.05312	10.4
125.02458	27.5
125.06084	3.1
126.02779	1.1
129.01959	4.3
131.03516	76.1
132.03835	1.1
133.03001	1.4
133.06607	2.1
135.04543	8.4
137.02470	2.1
137.06119	5.2
139.07663	50.1
140.07936	1.3
143.03506	6.3
145.02994	2.0
149.04570	49.8
149.05864	2.0
149.09724	8.3
150.63310	0.9
151.07645	2.8
159.03049	1.3
161.02484	1.2
161.04582	9.3
161.06068	5.0
163.04013	1.9
163.07526	1.7
165.01979	1.2
168.07936	47.4
169.08530	1.6
173.04561	10.1
173.09784	2.0
175.07664	2.1
176.08435	4.2
176.62598	0.9
179.03494	2.5
179.05728	1.7
179.10796	5.5
191.05634	55.3
191.10780	85.4
192.05920	1.6
192.11031	4.3
203.10806	1.3
209.11862	5.4
219.03035	1.5
221.06485	1.3
221.11832	22.0
221.13997	1.4
222.12228	1.4
233.06691	2.6
239.12924	21.7
242.05849	8.2
243.06520	2.5
251.07721	3.0
252.95403	1.0
253.08803	1.1
271.09775	12.3
293.08829	9.4
297.07730	2.6
299.05658	3.2
315.08621	2.2
359.07697	12.7
360.08386	1.5
371.17157	8.7
401.18198	12.0
425.03339	1.0
503.21310	13.7
533.14850	1.2
533.22455	36.9
534.22833	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32362	1.4
57.03440	2.6
58.00594	2.0
59.01384	47.6
69.03437	1.8
71.01387	23.5
71.28648	2.3
72.99310	4.5
73.02951	15.1
75.00871	5.2
81.03451	1.8
85.02958	10.7
87.00893	3.6
89.02457	16.0
95.01389	2.4
97.02955	2.6
99.00872	2.5
99.04539	2.0
101.02456	24.9
103.04033	10.6
109.06585	2.1
110.90443	1.4
113.02466	5.5
115.04043	1.7
119.03506	7.5
121.06599	1.4
125.02439	10.1
131.03445	2.8
135.08209	1.7
135.63979	1.5
137.02414	2.2
137.06145	3.0
139.72285	1.5
143.03503	2.9
150.10027	1.5
161.04544	4.1
163.06172	20.3
163.07512	2.2
164.19530	1.5
165.09225	100.0
166.09566	2.5
183.38139	1.6
200.16847	1.5
205.07169	4.2
230.36586	1.8
246.86589	1.6
279.40076	1.9
281.13712	2.3
307.10510	7.7
334.55298	1.5
341.10248	1.7
356.12686	4.7
371.10992	2.5
371.15228	8.3
425.29709	1.9
473.19885	2.3
489.24667	1.6
497.22006	2.1
515.22272	1.9
533.23083	7.3
533.30334	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32362	1.4
57.03440	2.6
58.00594	2.0
59.01384	47.6
69.03437	1.8
71.01387	23.5
71.28648	2.3
72.99310	4.5
73.02951	15.1
75.00871	5.2
81.03451	1.8
85.02958	10.7
87.00893	3.6
89.02457	16.0
95.01389	2.4
97.02955	2.6
99.00872	2.5
99.04539	2.0
101.02456	24.9
103.04033	10.6
109.06585	2.1
110.90443	1.4
113.02466	5.5
115.04043	1.7
119.03506	7.5
121.06599	1.4
125.02439	10.1
131.03445	2.8
135.08209	1.7
135.63979	1.5
137.02414	2.2
137.06145	3.0
139.72285	1.5
143.03503	2.9
150.10027	1.5
161.04544	4.1
163.06172	20.3
163.07512	2.2
164.19530	1.5
165.09225	100.0
166.09566	2.5
183.38139	1.6
200.16847	1.5
205.07169	4.2
230.36586	1.8
246.86589	1.6
279.40076	1.9
281.13712	2.3
307.10510	7.7
334.55298	1.5
341.10248	1.7
356.12686	4.7
371.10992	2.5
371.15228	8.3
425.29709	1.9
473.19885	2.3
489.24667	1.6
497.22006	2.1
515.22272	1.9
533.23083	7.3
533.30334	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2317
Annotation	Asukamycin E
Peak:m/z	Relative Intensity
57.03459	8.2
57.43701	1.4
59.01384	20.6
61.98814	5.7
68.70610	1.4
69.03445	3.9
69.22251	1.5
71.01360	2.8
71.05016	2.5
78.38876	1.7
81.62529	1.9
83.05046	12.7
87.00881	8.6
89.02433	5.9
96.58737	1.4
98.21790	5.8
99.04516	3.4
101.88443	1.5
109.06564	2.3
111.08147	3.9
111.98397	1.6
128.34602	1.6
129.89825	1.8
149.81073	1.5
185.14166	2.2
245.18939	2.7
257.19022	4.8
264.84256	2.0
289.18060	2.5
331.19287	2.3
334.80991	1.9
339.26874	3.3
374.41412	2.1
383.25781	4.7
401.27219	2.3
409.59567	1.8
413.27026	7.7
415.24643	2.6
441.29968	6.2
455.87625	1.9
459.31296	1.9
471.31149	11.1
473.29272	13.4
475.26334	2.5
489.32150	27.4
490.31952	3.1
497.25360	13.9
515.30005	16.8
533.24219	3.5
533.31067	100.0
534.31335	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35768	1.2
57.03445	6.7
59.01389	9.3
65.42690	1.3
68.98772	1.7
68.99184	8.9
69.03461	3.1
70.19675	1.1
73.02956	3.4
79.05535	3.8
81.03457	1.4
83.05028	2.0
85.02907	1.3
85.06596	11.8
93.03438	2.0
95.05030	10.1
97.02993	1.3
97.06544	1.4
99.04521	2.5
99.13496	1.5
107.05035	1.7
108.02200	2.5
109.02985	1.7
109.06594	4.4
111.04532	14.8
111.08166	15.3
113.02428	2.0
115.05514	1.9
121.02994	2.5
121.06590	2.5
123.04555	2.2
129.05592	86.8
130.04243	1.6
130.05887	1.8
131.04997	2.5
133.06618	1.6
135.04539	1.3
135.08083	1.2
137.06087	5.4
139.04135	1.4
139.07683	1.6
143.05025	4.3
145.06587	1.7
147.04526	3.4
149.06062	2.7
153.09241	5.4
155.07146	10.1
157.06554	1.5
158.03633	1.2
159.04506	4.0
160.05205	2.3
161.09734	1.4
165.09235	1.4
169.06602	1.6
173.06123	1.3
175.03990	2.0
183.08157	2.9
193.08696	1.5
193.10265	2.3
195.08095	1.4
201.09253	2.5
211.11324	2.0
220.09013	1.4
221.09744	8.6
222.10291	1.7
223.07668	1.6
223.11205	1.5
234.34642	1.3
235.11232	3.5
237.12840	3.5
239.10764	8.0
241.12399	2.4
247.11310	1.8
251.14307	2.5
253.12299	3.8
255.13875	2.4
259.13483	2.2
261.12796	7.5
263.10846	1.5
263.14420	1.4
263.25330	1.6
265.12347	3.0
269.11722	1.5
269.15448	1.5
277.12524	2.2
279.14014	12.7
281.11978	5.8
297.14917	12.7
299.35010	1.5
303.17569	2.0
305.15512	3.8
315.17059	1.8
321.18494	2.2
323.12982	2.2
323.16406	3.7
324.92963	1.3
333.18549	1.8
341.14032	6.8
347.20114	1.9
359.15338	1.3
367.15482	6.8
373.21649	3.4
377.16367	1.5
385.16696	2.8
391.22864	8.9
395.18729	4.8
407.22354	2.4
409.24280	2.3
417.20563	4.4
425.23578	8.3
435.21671	15.7
436.22375	2.1
437.19849	2.4
439.17419	1.7
453.22852	28.2
454.23145	2.0
455.20459	1.6
469.22614	1.8
471.23856	2.5
475.19708	8.9
475.26221	2.2
479.20874	6.9
497.21863	36.3
498.22263	3.7
515.23035	16.9
515.30267	2.4
516.22839	3.1
533.23901	100.0
533.30560	4.1
534.24182	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.9
55.23300	0.6
56.38734	0.7
57.03457	3.0
59.01386	14.9
61.98829	1.0
65.03983	2.8
69.03455	1.9
71.01405	2.3
71.05038	1.9
71.29586	0.9
71.29967	0.7
72.99332	0.9
73.02966	1.8
73.75398	0.6
74.52518	0.8
76.57536	0.7
79.05540	1.0
81.03469	4.1
83.05037	4.1
85.02957	11.5
87.00909	2.7
91.05588	0.7
93.03496	2.9
93.07144	0.8
94.04265	0.7
95.01444	1.8
95.05070	2.8
97.02984	1.6
97.06587	9.3
99.04507	3.9
101.02452	0.9
104.60592	0.7
107.05039	16.7
109.02963	9.0
109.06599	32.4
110.06942	1.4
111.04538	6.5
111.08206	1.3
119.05035	1.0
121.03031	1.1
121.06629	6.1
122.03831	0.8
123.04563	3.4
123.08175	5.0
125.02448	1.9
125.06090	32.4
126.06441	0.9
133.06604	1.7
135.04553	6.5
135.08208	2.7
136.05345	3.0
137.02480	0.9
137.06100	8.9
137.09818	0.8
138.06891	2.1
139.07660	12.5
147.04567	1.0
147.08191	2.0
148.08990	1.1
149.02472	0.9
149.06119	2.6
149.09709	0.7
151.04059	2.3
151.07648	3.9
151.11244	0.8
153.05592	3.4
153.09253	4.6
157.06557	0.8
158.58066	0.7
159.04608	0.8
159.08179	2.0
160.47902	0.7
161.02394	0.7
161.06143	1.4
161.09723	5.4
162.06879	0.7
163.04005	3.2
163.07637	2.4
163.11293	27.4
164.04884	2.1
164.11580	0.7
165.05505	1.5
165.09221	1.7
167.07153	2.7
171.74275	0.7
173.06154	0.8
175.07648	2.1
177.09209	9.1
179.07144	5.2
179.10789	10.0
181.05176	1.2
181.08694	3.6
181.12387	3.0
187.07591	1.6
187.11334	1.1
189.09209	2.3
190.10060	0.9
191.10779	2.3
199.07602	0.7
203.10861	0.6
205.08757	2.6
205.12334	1.3
207.10324	3.3
208.11130	4.6
209.04718	0.8
209.11836	9.0
215.10719	1.1
217.08795	0.8
217.12314	1.5
223.13435	3.1
225.05637	3.4
227.10873	1.5
229.12396	2.0
231.10374	1.3
233.11920	1.5
235.09679	1.4
235.13345	1.5
243.10329	1.6
245.11864	4.6
255.10291	2.3
257.11896	1.6
273.11359	3.9
275.12930	1.7
275.16516	1.0
277.14618	3.2
287.13074	0.8
293.10318	1.2
297.14954	2.0
299.16568	1.2
303.15970	1.1
309.11221	1.0
315.16074	5.8
316.16357	0.9
321.17172	1.1
323.11597	1.0
323.19955	0.8
325.14441	1.9
333.17258	1.5
343.15521	4.1
343.19125	0.9
349.18130	0.7
361.16550	1.2
367.19177	3.5
369.20895	0.9
374.20859	0.9
377.17593	1.3
385.20209	8.7
393.20706	0.7
395.18649	6.3
401.19687	1.1
403.21326	14.1
404.21490	1.0
413.19659	12.7
414.20132	1.7
425.23325	6.9
426.23080	0.9
431.20776	16.3
432.20892	2.0
443.24414	2.1
453.23123	1.4
461.25610	2.7
471.24005	2.3
489.24969	100.0
490.25436	10.9
533.23914	61.1
534.24335	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69347	3.9
55.01880	15.8
57.03452	14.0
58.75198	3.7
59.01386	28.6
61.98836	6.0
69.03448	14.9
71.01398	19.0
71.05022	8.8
73.02953	34.9
75.00882	38.9
83.05043	8.0
85.02983	25.1
87.00851	6.6
87.04494	4.1
89.02455	6.9
93.07114	4.5
95.05034	12.6
97.02962	49.2
97.06602	6.0
98.21803	9.8
99.04546	12.5
101.02467	10.0
106.03796	4.1
107.05049	7.2
109.06604	27.7
111.04520	6.2
111.08205	4.8
113.02508	5.2
114.80045	3.6
121.02985	8.3
121.06610	15.4
122.03792	6.8
123.04565	5.8
123.08178	12.2
125.06095	7.8
133.06529	5.6
135.08174	6.8
137.06097	87.2
139.07675	8.3
147.08189	5.4
149.06114	15.1
151.07637	10.9
155.07092	18.4
159.08240	8.3
161.09769	8.3
163.07579	7.8
163.11310	17.0
165.09204	13.1
175.07637	5.6
177.09152	8.2
179.10811	5.4
183.06505	6.1
187.07634	7.4
187.45953	4.0
189.05516	4.8
189.09242	6.9
191.05623	4.5
191.10905	4.8
203.10814	6.7
204.07898	4.8
205.08647	9.1
207.10262	8.8
209.12010	5.9
239.09109	6.5
245.11848	6.6
273.11365	10.3
281.13922	11.7
285.15005	9.3
297.14807	5.0
303.16037	6.5
313.37311	5.0
315.15930	6.3
327.25385	5.8
347.14993	35.7
348.15186	7.7
355.19382	5.6
371.14972	5.7
371.24350	11.3
377.17685	6.7
395.18649	6.9
417.19302	15.6
435.20645	23.4
439.17572	14.3
453.22812	17.4
457.18665	43.0
471.23981	8.9
475.19803	14.7
487.23477	6.9
489.24814	17.3
497.21902	39.7
498.22095	5.0
515.22955	57.5
516.22998	8.0
533.23615	100.0
534.24597	8.7
550.60809	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.9
55.90510	2.8
57.03448	16.2
59.01382	25.6
61.98831	10.6
62.39376	2.7
66.43754	2.9
69.03468	4.5
69.05309	5.5
69.05718	23.6
69.65431	3.0
71.01378	15.7
71.05017	9.6
72.67918	3.1
72.99318	4.3
73.02951	61.3
75.00882	16.8
83.05043	8.0
85.02952	25.7
87.00867	7.9
87.04533	3.9
89.02468	8.7
90.62482	2.8
95.05063	6.9
97.02966	9.9
98.22580	6.0
99.04524	24.8
101.02456	10.8
107.05046	5.9
109.06590	15.6
113.02431	4.7
114.65728	3.7
119.03541	3.3
121.02979	3.2
121.06581	6.5
123.04520	8.3
123.08153	4.7
125.06097	15.0
127.04026	3.6
135.04526	7.6
137.06102	13.8
149.06099	7.3
151.07674	7.3
161.04535	4.9
161.05923	3.1
161.09764	4.2
163.07744	3.2
163.11275	9.0
165.05519	2.7
175.07718	4.8
177.09198	6.8
185.09682	2.8
187.07625	3.2
189.09235	6.1
191.10828	3.8
199.07764	4.0
203.10721	4.0
205.08737	8.3
207.10229	3.3
213.05670	4.5
223.09775	10.2
227.10934	3.7
241.10860	5.2
247.62910	3.4
267.13925	3.1
273.11258	6.0
297.10016	3.0
309.15091	3.5
315.12338	6.7
327.15976	4.7
337.14630	4.1
341.10391	10.7
353.23288	5.0
355.15396	4.7
356.12665	19.9
365.13989	5.3
371.14987	51.3
371.24316	14.4
377.17477	4.6
389.16113	26.9
398.02054	3.2
401.25406	4.9
411.17999	3.8
413.19849	5.1
427.21075	3.8
429.19241	8.9
431.20782	9.4
439.17584	11.6
457.18384	56.5
458.18625	4.3
475.19778	100.0
476.20074	9.5
497.21844	10.8
515.22876	32.3
533.23712	30.4
533.30896	49.5
534.30493	4.1
553.42517	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
55.12880	0.9
55.31706	0.9
57.03457	6.2
58.00587	2.1
59.01379	8.5
61.98799	1.1
65.35813	0.8
69.03453	2.6
71.01402	8.0
71.05017	4.4
72.99300	2.7
73.02956	22.9
75.00879	73.5
81.03454	1.9
83.01376	1.4
83.05028	1.7
85.02950	6.9
87.00900	1.1
87.04526	2.0
89.02441	4.0
95.05057	2.1
97.02954	8.0
97.06564	1.3
98.21819	2.2
98.22511	3.4
99.04525	9.0
101.02483	8.1
102.11575	0.9
107.04974	1.1
109.06602	5.9
111.04527	1.2
111.08138	1.7
113.02451	4.3
113.06098	1.6
121.06607	2.0
123.04543	1.9
123.08154	3.6
125.06119	1.1
131.03484	1.2
135.04539	2.8
137.06094	4.4
139.07632	1.1
147.08153	1.5
148.66435	1.0
149.06104	3.2
149.09694	1.2
151.07651	2.4
159.04535	1.3
159.08138	2.9
161.04539	3.4
161.05936	2.2
161.09740	3.1
163.11314	3.5
164.45406	1.1
165.05569	1.4
173.06053	4.6
173.08200	1.2
175.07657	3.0
176.08350	0.9
177.09161	2.0
179.10837	1.7
185.09680	1.1
187.07664	1.2
189.09221	3.3
201.09262	1.5
203.07153	4.0
205.08653	1.2
207.10306	1.3
215.07094	1.9
229.08771	1.8
231.10251	1.4
243.14006	1.1
245.11928	1.3
257.11896	2.6
267.13818	1.5
281.15225	1.2
283.13550	1.1
285.77478	1.0
293.15524	1.3
297.14856	2.4
299.16650	1.9
311.16513	1.8
315.15976	1.5
325.14481	10.4
325.18005	1.8
326.14719	1.4
327.15927	2.8
337.18121	6.0
341.17535	2.1
343.15704	2.0
343.19446	1.5
347.14719	1.2
355.15402	6.8
355.19238	3.7
357.16788	1.2
359.14987	1.3
367.19031	3.2
373.16486	1.7
377.21362	1.1
379.19785	1.1
381.17191	2.5
383.18689	2.3
385.16293	4.7
392.38333	1.3
395.22501	1.9
397.20364	1.5
399.18146	24.4
400.18533	2.0
401.20132	2.6
401.25311	16.1
411.18161	1.6
417.19525	2.0
417.26587	3.0
429.18939	12.7
441.19104	2.6
455.20767	1.6
457.22391	29.7
458.22711	2.9
459.20279	24.3
460.20276	2.0
471.23480	2.1
473.21899	3.5
475.19626	2.0
489.24924	2.4
489.31436	1.5
492.25134	1.5
497.21826	1.5
515.22552	5.5
515.29828	2.5
533.23834	100.0
533.31238	27.4
534.24152	10.5
534.31586	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	9.8
58.00594	1.5
59.01377	4.7
69.03447	1.1
71.01392	2.1
71.05038	1.0
72.99294	1.4
73.02958	10.6
75.00890	1.6
83.05044	1.5
85.02959	9.2
87.04521	100.0
88.04858	1.1
88.25516	0.9
89.02427	4.2
95.05031	2.3
97.02951	4.4
98.21780	1.7
99.04528	1.8
101.02521	1.1
109.02933	1.1
109.06601	18.2
111.04537	3.8
111.08135	1.3
113.02489	2.6
113.06115	1.0
121.02917	0.8
121.06595	6.1
122.03754	2.6
123.04565	1.7
123.08171	1.2
125.06083	1.1
127.07634	0.9
131.03514	17.6
134.03714	0.9
135.04536	18.5
137.06087	16.0
139.07655	2.3
141.05611	1.4
149.06094	1.6
151.07689	5.0
153.05602	2.6
155.07120	1.1
157.06641	0.9
159.08167	1.2
161.09764	1.2
163.11272	2.5
165.05612	2.7
167.07143	3.4
177.05582	1.5
179.07167	1.2
179.09363	0.8
179.10817	3.8
187.07684	1.0
189.09305	1.0
198.35631	0.8
207.72049	0.9
227.10806	2.4
229.12335	1.1
230.09448	1.1
233.49397	0.9
241.08784	2.2
243.10297	2.6
244.57680	0.8
245.11852	2.9
255.13657	1.0
257.12051	1.4
259.09766	11.8
261.11307	4.0
265.12283	1.2
271.09714	1.3
273.11282	1.1
283.13406	5.4
287.12949	1.2
315.16010	1.8
327.25519	1.4
351.15915	2.3
353.17731	2.1
365.17456	1.5
371.18384	1.2
381.17227	2.3
383.18387	2.1
393.17084	3.6
401.19720	7.4
411.17957	4.6
413.20047	1.1
423.17853	1.1
429.19296	10.5
430.19623	1.4
441.18811	2.0
453.22626	1.9
459.19809	5.8
471.24078	1.4
475.98398	1.0
485.21866	7.0
489.25012	1.8
489.31470	2.8
497.21460	1.2
503.22937	25.3
504.23438	2.9
515.22906	14.5
515.30078	1.5
533.23969	73.1
533.31201	10.2
534.24255	8.2
534.31494	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.1
57.03459	3.1
58.00599	1.3
59.01382	34.5
59.48559	1.0
60.01736	1.0
61.98830	5.2
69.03447	1.9
71.01386	41.6
71.05040	3.2
71.32430	1.7
72.99312	4.2
73.02955	14.2
75.00878	1.1
81.03460	1.4
83.01389	5.8
83.05061	1.8
85.02962	18.4
87.00899	4.8
87.04591	1.1
89.02451	25.6
89.02962	1.9
90.02830	1.3
95.01422	3.0
97.02968	3.1
99.00911	6.0
101.02448	26.0
111.00909	1.9
111.04615	1.5
113.02460	14.5
115.04060	1.3
117.05606	2.1
119.03509	2.7
121.44768	1.1
125.02465	3.2
131.03513	7.3
135.93214	1.0
143.03497	1.8
149.04573	5.8
159.03014	1.9
161.04568	15.8
161.05905	1.6
191.05618	1.6
197.02264	2.1
233.06671	1.3
261.18607	1.9
263.20279	4.5
277.12570	1.0
292.15475	1.2
293.08688	1.3
309.24545	1.9
327.25439	5.1
335.22260	15.9
336.22534	1.4
353.23486	1.8
371.24356	9.6
401.25482	21.5
402.25824	1.6
413.27167	1.1
415.26965	1.8
445.24570	2.0
465.28342	1.3
533.30377	100.0
534.30896	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98128	59.2
55.94346	58.6
57.48372	48.6
59.01385	100.0
61.98832	86.0
94.22120	47.2
139.34781	54.5
218.03973	49.3
344.03864	57.1
371.64886	54.5
455.57706	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98315	17.0
59.01391	25.2
66.97945	15.8
69.92226	56.6
81.45238	18.3
90.02893	19.6
98.21889	22.7
108.54568	16.6
111.99185	17.0
119.93047	17.1
160.84262	56.6
178.35075	19.8
196.28795	16.9
233.91254	17.3
265.28082	19.4
489.32001	48.4
533.31384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36360	16.6
54.59708	21.1
59.01381	16.5
65.04611	16.2
71.05056	19.2
115.04048	36.8
328.54639	19.4
417.22937	91.5
429.68427	19.0
475.19797	55.0
533.26660	100.0
533.34753	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	54.7
60.97909	23.8
61.98821	44.3
64.59267	25.8
71.32055	24.3
75.01293	19.4
83.04987	23.4
87.19017	21.9
89.02446	26.0
99.04493	23.1
109.06533	21.8
115.05886	20.0
118.23369	20.1
121.73791	20.9
134.03955	22.7
191.60901	22.4
332.04947	24.6
364.73535	22.0
413.26913	25.8
430.27332	27.9
431.27090	37.4
501.51944	24.6
533.30682	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	9.5
61.98847	7.6
72.10838	5.3
78.95917	41.0
101.81493	5.7
120.23560	5.5
145.97533	6.9
147.16080	6.2
196.89450	28.2
237.61400	6.0
255.23311	57.2
256.23727	56.3
371.63034	7.2
452.27878	15.6
481.31323	40.2
503.33817	7.1
533.34821	100.0
534.35272	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
58.00581	0.6
59.01099	0.6
59.01386	11.1
60.28498	0.6
61.28983	0.6
61.98835	3.6
63.96234	0.6
69.05399	4.8
69.05807	1.5
71.01392	8.3
71.05013	0.7
72.99308	1.6
73.02969	4.8
83.01385	1.7
83.52383	0.6
85.02968	4.6
86.00093	0.6
87.00879	2.2
87.04514	0.9
88.98822	0.7
89.02467	5.4
95.01461	0.7
97.06606	0.9
101.02455	5.0
113.02454	3.0
119.03469	1.1
123.08164	0.7
125.09721	3.3
131.03520	0.6
135.98302	1.0
149.96623	0.6
151.11336	0.6
161.04596	0.9
167.10680	0.6
169.12418	0.8
171.10246	5.2
211.89676	0.8
215.12939	0.7
227.12981	0.7
311.22021	0.7
323.22330	2.1
341.23325	4.7
353.10410	2.2
353.23474	4.8
355.24973	0.9
369.22763	1.0
371.24393	30.7
372.24612	2.3
401.25555	1.0
407.28656	0.7
502.16028	0.7
533.29608	100.0
534.29871	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51724	0.8
57.03456	3.0
57.75874	0.9
59.01388	11.5
61.98826	1.7
69.03459	1.9
69.17850	4.3
69.18269	2.4
71.01382	10.6
71.05030	0.9
72.99325	1.2
73.02951	8.6
75.00886	1.2
83.01421	1.7
83.97803	0.7
85.02949	5.3
87.00894	2.9
87.04487	0.8
89.02469	4.0
93.07104	1.2
97.02968	5.2
97.06609	1.0
97.54759	0.8
98.22284	3.8
99.00896	1.8
99.04571	2.8
101.02458	5.2
107.05058	1.5
109.06605	2.6
113.02494	2.5
115.00377	0.9
119.15385	0.9
121.06646	1.0
123.04583	1.1
123.08205	1.7
125.06123	2.2
125.09718	2.3
131.03537	2.5
135.08243	1.3
137.06120	7.5
137.09753	2.1
149.06210	1.5
151.07689	1.1
161.04541	0.9
163.07658	0.9
171.10283	6.4
175.07726	1.2
177.09244	1.5
179.10828	3.6
191.05676	1.6
205.08728	1.2
239.04689	0.9
299.12943	1.0
323.22430	1.2
341.23358	5.3
353.23450	4.0
365.13898	1.3
371.15210	4.9
371.24402	28.1
371.28760	1.6
372.24869	1.7
389.16458	2.6
399.18576	1.0
411.18369	1.1
439.17661	2.1
448.36185	1.1
457.18600	6.6
475.19797	9.1
497.21912	1.4
515.23108	3.9
533.29944	100.0
534.30157	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.2
57.03455	4.1
58.00581	1.5
59.01386	31.4
61.98829	1.0
63.28572	0.4
67.01900	0.4
67.43465	0.4
69.03472	1.9
69.18117	2.9
71.01388	40.9
71.05022	0.7
72.01719	0.5
72.99303	2.3
73.02952	17.0
75.00884	3.5
78.17758	0.4
81.03468	0.6
81.74823	0.4
82.95895	0.3
83.01397	8.9
83.05032	0.7
85.02958	23.0
86.00079	1.0
87.00874	3.1
87.04510	0.6
89.02454	15.2
93.96411	0.4
95.01396	3.5
95.05070	0.5
97.02952	2.8
97.06632	0.6
98.21774	0.7
98.22417	1.1
99.00890	5.6
99.04546	2.2
101.02452	37.4
102.02750	0.5
107.05058	0.8
109.06588	1.9
111.00897	3.0
111.04514	0.6
111.08150	0.7
113.02463	17.9
119.03506	4.8
121.06632	0.9
123.04532	0.7
125.02452	1.7
125.06128	0.9
127.07625	0.4
129.01939	0.9
131.03520	6.2
135.04562	0.8
137.06108	1.8
139.07607	0.7
140.56802	0.3
140.72153	0.3
141.01953	0.6
143.03525	2.9
149.04503	1.9
149.06128	0.7
151.07751	0.4
159.03015	4.7
161.04570	20.7
161.09695	0.8
162.04913	0.5
163.07683	0.5
163.11319	0.8
173.08231	0.5
175.07581	0.4
177.09204	0.6
179.05640	1.6
179.10762	1.1
191.05551	1.0
203.10864	0.4
205.03532	0.7
245.12305	0.5
267.14014	0.4
269.11758	0.4
299.16418	0.6
309.15125	0.4
325.14450	0.4
371.24503	1.1
383.24524	0.5
385.20145	0.6
395.18414	0.4
399.17960	0.8
401.25449	100.0
402.25784	7.6
413.19556	0.7
419.20538	0.7
429.19031	0.6
457.18732	1.3
459.20331	0.9
475.19644	3.6
476.20020	0.6
489.25150	1.0
497.21283	0.7
515.22510	1.5
515.30127	1.4
533.23712	5.9
533.30780	12.7
534.31549	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73450	0.5
55.01892	0.8
57.03449	2.3
58.00599	0.7
59.01381	16.6
61.98835	4.5
63.69381	0.6
71.01391	17.5
71.32503	1.3
72.99297	1.4
73.02946	6.5
75.07841	0.6
83.01395	2.1
85.02957	7.2
87.00876	1.1
89.02459	9.8
95.01385	1.2
97.02937	1.0
97.06591	0.7
99.00887	1.0
99.04496	0.8
101.02456	11.3
109.02918	0.8
113.02463	7.7
117.04340	0.6
119.03539	1.2
120.98850	0.6
125.02421	0.8
125.09739	1.2
131.03534	2.7
134.58662	0.6
137.02446	1.1
137.45361	0.6
138.03278	0.7
143.03531	0.7
146.03777	0.8
149.04596	1.1
155.10860	1.1
159.02975	1.3
161.04597	5.0
161.05824	1.1
163.04062	1.2
166.74902	0.6
171.10295	4.7
184.12863	0.6
185.11897	1.4
213.11157	0.7
215.12918	0.6
257.08243	1.0
272.61478	0.7
293.49622	0.9
341.23279	3.0
353.23318	3.5
355.25012	1.5
356.09415	0.7
369.22971	0.7
371.11508	5.3
371.24393	12.5
397.50833	0.7
401.25369	3.4
503.61227	0.7
515.29651	0.8
521.39148	0.6
533.29846	100.0
534.30096	10.4
540.43823	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.2
57.03441	3.4
58.00592	0.8
59.01382	32.5
61.98841	6.5
69.03461	1.1
71.01388	31.5
71.05024	1.4
72.99311	2.6
73.02953	8.5
73.15684	0.8
75.00863	0.8
82.95406	1.2
83.01393	4.4
85.02957	15.1
86.03308	1.0
87.00414	0.7
87.00892	3.6
87.91025	0.7
89.02451	18.7
91.05023	0.8
93.03460	0.8
95.01388	2.8
97.02982	1.9
97.06582	1.0
98.22555	1.3
99.00901	3.2
99.04485	0.8
101.02454	19.5
102.02809	0.8
102.39356	0.7
108.94983	0.7
109.02970	1.9
109.06650	0.8
111.00915	0.8
113.02467	13.2
115.00385	0.9
117.05624	1.7
119.03548	4.3
122.08922	0.8
123.04518	1.0
125.02438	1.9
125.09713	1.6
131.03522	7.9
133.02960	1.1
137.02457	2.0
138.03239	1.2
139.07707	1.5
139.11308	1.3
141.09242	1.4
143.03531	1.7
145.02916	1.0
149.02455	0.9
149.04570	1.7
151.04057	0.8
153.09314	0.9
159.03041	1.7
159.04463	0.9
161.02563	1.2
161.04587	12.6
163.03935	1.2
164.01482	0.9
165.01953	1.6
171.10281	3.5
173.04646	1.0
176.01198	3.7
177.01985	1.9
179.05643	1.8
185.11867	1.2
202.99794	4.5
204.00670	3.7
213.05478	1.0
239.16560	3.5
255.03017	1.0
257.04587	1.1
271.02502	7.8
283.02670	1.4
284.03052	1.1
285.04175	5.0
311.22125	0.9
312.02625	1.1
313.03613	6.8
327.25436	2.3
341.23373	2.1
353.23325	6.1
371.11417	6.1
371.24326	13.5
371.28268	0.8
372.24994	0.9
399.24023	0.9
401.25464	15.6
402.25684	2.1
415.26859	2.0
435.07294	12.8
436.07968	7.0
445.24924	1.4
471.31171	0.8
473.27679	2.7
515.29401	2.2
533.29816	100.0
534.30109	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3125
Annotation	Ganoderic acid L
Peak:m/z	Relative Intensity
52.26981	0.8
57.03453	6.4
59.01384	12.6
60.93601	0.9
61.98833	7.1
62.66951	0.8
66.27692	0.9
68.25801	0.8
69.03438	2.8
69.06802	8.8
69.23028	0.9
71.01354	1.2
72.64326	0.9
83.05030	11.8
87.04526	1.4
88.41792	0.9
89.02441	4.1
99.04534	2.0
109.06601	2.0
111.08192	1.0
123.08156	1.2
133.92784	0.9
138.21036	0.9
173.06102	0.8
243.17525	0.9
245.19118	3.8
257.19128	3.0
265.24084	1.0
289.18201	2.6
302.83630	1.0
319.19202	2.8
339.27032	5.4
341.24948	1.9
351.26883	1.3
357.28064	1.0
383.25980	3.1
395.26044	1.3
397.23798	1.1
401.26996	1.6
413.27145	4.3
415.24564	2.0
423.29388	1.1
441.30035	4.7
459.31262	2.1
471.31186	9.9
472.31290	1.4
473.29047	10.9
475.27121	2.5
489.32275	29.0
490.32278	2.5
491.24545	3.1
497.25336	1.9
515.30176	13.8
516.30463	1.5
533.31177	100.0
534.31390	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.313
Annotation	Myrianthine A
Peak:m/z	Relative Intensity
55.01871	1.3
57.03432	1.9
59.01376	7.4
59.18524	0.8
61.98817	3.0
65.21763	0.8
71.01028	1.3
71.01383	15.3
71.05010	1.3
71.31890	1.2
72.99296	3.4
73.02928	2.8
83.01342	1.6
85.02952	5.3
87.00867	4.0
87.04521	4.1
88.94387	0.8
89.02450	61.6
99.04492	2.3
100.92831	0.9
101.02439	3.4
113.02451	2.5
128.25638	0.8
137.02583	0.9
147.68234	1.1
161.04518	2.1
195.11806	0.9
217.83469	0.9
239.10738	4.0
339.08551	1.4
371.27856	1.6
399.25439	1.6
413.26935	1.0
461.30969	2.8
471.31625	1.2
475.26486	1.4
489.32330	3.2
515.30463	1.5
533.31409	100.0
534.31702	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.8
59.01390	9.0
61.98825	7.1
69.07265	4.7
69.07695	5.4
71.01389	13.2
71.05016	1.7
72.99295	1.3
73.02957	24.5
83.01405	1.9
84.82743	1.0
85.02943	3.0
87.00839	1.4
87.04530	1.8
89.02456	43.3
90.02752	1.0
97.03096	1.1
98.22588	2.0
99.04543	3.5
101.02459	4.0
111.04481	1.0
113.02467	2.8
123.08170	1.2
139.07671	1.6
141.57709	0.9
161.04605	1.3
163.11316	2.5
173.04631	1.0
261.15085	1.5
287.16833	1.1
309.24469	2.2
327.25345	7.4
353.24811	2.0
371.24792	1.7
401.25308	1.2
471.30875	2.0
489.31470	12.0
490.31021	1.3
515.30695	1.8
533.31183	100.0
534.31659	9.8
535.96924	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
57.03453	3.2
59.01100	0.3
59.01387	4.5
61.98824	0.8
62.63148	0.2
62.82164	0.2
69.03445	0.6
69.06192	1.4
69.06612	0.7
71.01391	5.0
71.05030	12.0
71.35033	0.2
72.99324	0.6
73.02950	2.2
81.03462	0.8
83.01364	0.5
83.05022	1.0
85.02965	1.7
85.06586	0.6
87.00873	0.7
87.04517	0.6
89.02455	17.5
90.02773	0.3
94.14063	0.3
95.05051	0.5
97.02936	0.4
97.06595	1.0
98.21864	0.4
99.00886	0.8
99.04521	1.0
101.02454	3.4
109.06602	0.5
109.58375	0.2
111.08167	0.7
113.02463	1.5
115.04028	1.7
117.03471	0.5
117.05569	0.8
119.03506	0.6
119.04999	0.2
121.06605	0.7
123.08168	1.0
125.02400	0.2
125.09740	0.8
129.09225	0.6
131.03514	1.1
135.08199	0.3
137.09656	0.3
141.09200	0.3
145.02971	1.8
149.04547	0.7
149.09752	0.5
151.11287	0.6
158.13052	0.2
159.03011	0.4
161.04581	1.3
161.05748	0.2
163.04056	0.4
175.11310	0.4
177.12881	0.4
179.05615	0.3
179.10832	1.4
189.16489	0.4
191.05643	0.6
213.16481	0.3
215.18042	0.4
231.17662	0.4
233.19035	0.2
285.22327	0.3
311.23865	0.8
327.25983	0.3
329.25229	0.4
337.25494	0.5
355.26456	0.6
357.23700	0.4
371.24701	0.7
373.27521	0.3
386.41663	0.3
389.26953	0.4
399.25354	5.1
400.25510	0.4
401.25476	3.8
402.25745	0.4
415.27048	0.5
417.26477	21.0
418.26935	1.9
425.27399	0.2
443.27884	0.7
452.35239	0.3
453.30127	0.9
471.31290	4.2
472.31525	0.7
489.32260	8.3
490.32657	1.1
496.17303	0.2
515.30371	1.2
533.31238	100.0
534.31635	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
59.01387	3.1
60.55093	0.4
61.65932	0.5
61.98842	1.3
63.98356	0.5
69.03473	0.5
69.05195	1.0
69.05595	4.2
71.01390	12.6
73.02956	9.4
83.05035	0.6
85.02946	1.9
87.00868	2.5
87.04527	1.9
88.21267	0.5
89.02454	72.9
90.02738	0.5
91.26474	0.5
99.00923	0.5
101.02441	2.2
102.45501	0.5
113.02469	1.1
119.03502	0.5
142.08316	0.4
161.04549	1.6
204.28307	0.5
254.48462	0.6
273.04013	0.6
299.20343	0.5
301.07895	0.5
327.25421	0.9
337.25586	1.2
371.24240	0.9
389.12561	2.0
395.25861	0.7
399.25336	1.9
401.25571	3.6
413.27094	1.1
431.28400	0.8
471.30957	2.4
489.31586	0.8
510.13669	0.5
533.31262	100.0
534.31659	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.5
59.01144	0.7
59.01382	7.8
61.98822	3.1
65.65913	0.7
69.03477	0.7
71.01385	17.2
72.99311	0.9
73.02949	16.8
74.54432	0.7
83.01387	1.7
85.02953	3.9
86.07285	0.7
87.00861	2.3
87.04510	2.1
89.02453	69.2
90.02734	0.7
92.82497	0.7
95.01406	1.0
97.02956	1.3
101.02465	7.6
113.02474	3.9
119.03512	1.4
131.03484	0.9
133.05084	1.2
136.66202	0.9
139.73621	0.9
154.96747	0.7
159.03108	0.8
161.04562	2.9
195.48938	0.8
309.24326	0.9
327.25504	4.9
332.13388	0.7
337.25192	1.3
341.19629	1.1
357.23883	0.9
371.24033	5.4
371.28098	2.7
395.26007	1.3
399.25427	1.5
401.25479	4.3
407.37708	0.9
413.27002	0.9
417.26273	1.3
471.31131	2.5
489.31592	1.8
533.31287	100.0
534.31525	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51824	1.0
59.01383	40.5
71.01352	1.0
71.30901	1.0
78.95908	24.4
98.06976	0.9
113.82362	1.0
118.99014	1.0
133.02980	1.8
135.04524	1.2
150.88223	1.0
152.99614	7.2
161.02489	5.7
178.88448	5.4
179.03654	0.9
179.89241	4.9
180.90018	5.8
196.89503	100.0
197.89537	6.3
320.15012	1.0
323.19217	1.0
323.75156	1.1
441.26703	1.4
533.16382	4.5
533.31189	3.4
534.16504	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44198	0.7
59.01383	4.8
61.98836	100.0
68.49395	0.6
71.01398	2.0
71.28571	0.8
75.00878	0.8
89.02475	2.9
101.02465	1.9
103.04059	0.9
113.02490	0.9
119.03546	1.8
137.35313	0.8
149.05864	0.7
180.14963	0.7
192.31335	0.8
242.94751	0.8
296.10764	1.2
354.10492	0.9
355.12091	1.2
380.45856	0.8
452.42117	0.8
535.22052	0.6
563.88239	0.8
564.31879	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37547	2.5
57.75237	2.1
57.77670	2.3
59.01383	42.2
61.98822	9.1
69.03718	23.4
69.04112	5.4
71.01380	29.0
73.02951	3.5
85.02958	4.0
89.02451	54.2
101.02439	8.8
113.02447	5.9
113.06072	3.9
115.26410	2.3
119.03522	2.2
119.28080	2.4
131.03467	7.0
140.52583	2.4
145.41341	2.1
149.04578	12.5
212.01509	2.4
224.04805	2.6
255.10300	4.9
269.11868	3.5
279.80328	2.6
283.09796	23.0
294.08899	3.7
295.09756	5.9
311.09265	63.8
312.09460	5.3
325.10809	7.1
326.11588	49.6
341.13940	100.0
342.14191	5.4
343.24966	3.4
355.24802	5.3
373.25830	12.8
439.33035	2.6
534.29535	7.7
535.23212	4.9
535.31281	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05780	1.2
55.12914	1.1
59.01376	8.8
67.54969	1.5
69.34869	9.4
71.01374	3.9
88.98748	1.3
89.02441	4.7
98.22617	1.4
101.02464	2.4
108.02103	1.4
108.04593	1.5
113.02422	1.6
125.02486	1.6
132.04579	7.1
134.06110	4.6
143.04623	2.4
176.03510	1.4
184.56129	1.5
190.05020	2.1
255.06688	6.4
269.08136	4.0
279.11377	3.7
283.09726	2.5
300.10052	25.0
306.07568	2.3
310.08456	2.1
311.09293	5.1
312.09964	6.7
313.10547	2.1
315.12396	100.0
316.12723	5.8
323.10516	1.7
327.12363	18.8
328.13071	1.8
345.13428	6.4
355.11984	1.6
419.77621	1.4
435.17667	1.5
459.17813	4.8
482.39771	1.4
491.32230	5.0
503.16760	25.7
517.17883	1.8
535.19165	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27135	6.1
59.01384	48.2
65.16511	6.2
69.19845	33.7
69.20264	26.5
71.01394	32.9
73.02927	6.3
85.02954	14.6
89.02477	32.0
101.02464	18.5
104.53678	6.2
109.02946	10.5
113.02448	11.8
125.02482	7.9
131.03470	8.8
131.69200	5.9
132.45825	7.0
133.23143	6.3
161.04488	8.5
187.07576	8.2
255.06799	8.9
312.80200	7.6
336.73294	7.0
341.13986	7.6
343.11929	15.2
344.12762	22.1
345.67358	6.4
355.11813	9.7
359.14969	64.0
360.15509	9.1
402.18356	8.8
491.19260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	28.6
67.23382	4.8
68.20868	4.7
68.79173	5.8
69.19645	9.4
69.20047	33.6
69.53669	4.4
71.01374	22.1
75.19546	5.7
86.03358	5.7
89.02453	19.7
98.22495	10.3
99.10856	4.7
101.02438	5.4
108.02193	5.0
109.02955	10.3
123.04570	6.4
166.05116	19.2
168.03819	5.8
178.09444	5.2
209.04449	6.3
209.08099	6.7
241.05125	5.8
244.73253	4.8
248.08971	5.4
293.10263	14.3
294.10703	34.1
311.09259	5.7
313.10889	5.6
323.11322	13.4
324.11740	27.6
325.10977	7.2
341.13962	9.5
344.12656	13.2
352.20871	5.2
354.12622	8.9
359.14896	42.8
360.15179	6.0
422.35059	5.6
491.19293	100.0
492.19440	6.6
534.18396	7.3
535.18170	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29419	2.3
53.75685	2.5
54.23359	2.7
57.03438	3.3
58.37852	2.4
59.01389	17.4
61.98833	11.2
69.05535	14.4
69.05952	7.0
71.01388	19.8
71.05014	3.3
73.02935	6.0
80.18819	2.7
84.95123	3.1
85.02970	9.8
87.00886	8.8
87.04528	15.9
89.02447	10.9
99.04518	6.3
101.02448	4.8
109.02957	4.8
109.06615	9.5
111.00932	3.3
121.02982	19.5
121.06551	4.6
131.03488	4.4
135.04549	13.8
137.06104	7.6
147.04532	3.9
149.06064	2.9
153.15506	3.1
160.21341	2.7
160.84169	11.4
161.06007	4.6
165.05583	16.6
173.06076	2.8
175.07628	3.8
179.07117	4.1
186.66032	3.0
233.08054	3.7
237.77357	3.1
257.11740	2.7
296.10562	9.9
311.12872	6.7
318.04272	2.5
325.10764	2.8
326.11407	4.2
341.13895	4.8
344.12646	15.6
345.16983	3.3
355.24667	4.2
357.13019	3.2
359.15027	100.0
360.15317	7.4
372.15405	4.1
373.12479	3.4
373.25897	6.9
397.20139	5.8
403.17450	12.6
415.21353	7.5
459.19955	3.3
477.21390	31.3
491.19409	46.8
491.26758	6.3
492.19730	3.6
517.19098	3.2
533.96863	3.5
534.23444	3.1
534.30273	8.6
535.24231	16.6
535.32275	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41706	1.7
56.44580	1.6
61.98821	3.7
69.02293	6.1
69.02713	9.8
83.24668	1.8
99.01387	1.8
133.02945	2.4
134.03766	5.1
135.04546	4.7
137.06039	2.5
193.05019	3.9
195.80563	2.0
197.09688	5.2
202.71861	1.7
209.86861	1.7
213.12784	3.3
262.44272	2.0
270.66653	2.1
309.54700	1.8
369.22052	2.7
385.25336	2.2
399.23294	2.1
403.26230	4.1
423.51990	2.3
429.24503	3.1
447.25421	9.4
477.21280	3.1
491.24451	100.0
492.24536	11.1
535.19641	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66569	5.9
59.89625	5.0
61.19799	4.5
61.98835	40.5
62.52360	5.9
69.75175	20.2
78.95907	97.2
81.78752	6.2
90.37601	5.0
96.83974	5.1
152.99579	82.0
183.01765	5.0
196.89435	62.5
197.89508	30.1
253.09325	19.0
255.23314	100.0
366.37347	5.3
433.23508	18.7
534.31769	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77113	8.4
54.24001	7.2
59.01368	13.2
61.98825	33.2
71.31989	13.9
73.36346	8.8
78.95897	13.5
112.10561	7.5
149.51085	7.2
151.25229	7.1
152.99583	12.9
253.09219	17.7
255.23315	100.0
303.73267	8.0
362.05420	8.8
472.77271	8.7
534.32214	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	6.0
58.00577	1.8
59.01382	24.5
69.00398	18.8
69.00800	2.5
69.03444	3.0
69.46206	1.8
71.01391	13.5
71.04998	2.2
72.99301	2.8
73.02954	10.1
83.05033	3.4
83.78438	1.9
85.02942	4.1
85.06587	2.0
87.00908	2.2
87.04514	3.3
88.98827	2.2
89.02450	12.7
91.69188	1.9
95.05056	2.2
97.06590	5.7
98.22479	3.6
99.08230	1.8
99.51195	1.6
101.02467	8.6
101.06059	3.6
104.05085	2.1
108.02201	3.1
108.04574	2.2
109.02964	4.3
109.06604	3.4
111.00878	2.0
113.02473	4.0
114.72819	1.7
115.07666	5.5
117.05571	5.0
119.03530	3.9
123.00902	7.8
123.04503	3.1
124.01670	6.6
125.06072	5.3
131.03531	1.7
131.07184	2.9
132.04564	20.9
134.06133	12.8
136.32376	1.9
137.09666	2.0
137.27519	1.6
143.07129	12.0
145.08707	3.5
147.04541	8.3
148.05327	2.0
152.07245	2.3
153.09286	2.4
158.06036	2.0
161.02463	1.9
163.03995	3.1
165.09270	2.0
173.02371	2.3
174.03189	2.5
174.49910	1.9
175.04001	2.9
176.03532	5.5
185.07292	1.8
188.04797	6.2
189.05603	2.0
190.05040	4.3
191.05826	2.2
226.17108	1.9
251.11732	2.2
256.12073	2.1
279.11319	9.7
283.05997	2.3
294.09583	2.3
298.08447	15.6
306.07663	2.6
310.08521	5.4
313.10818	53.3
314.11615	2.7
323.10333	4.9
343.11957	6.8
358.10590	5.2
373.12955	91.5
374.13403	6.1
415.18954	1.9
435.17795	4.1
447.33331	6.4
459.17801	10.2
475.17572	5.4
491.32275	100.0
492.32571	5.9
503.16782	63.0
504.17300	4.7
505.27640	2.0
517.18274	4.8
535.18939	5.7
559.00854	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.7
57.03424	1.3
58.00601	4.7
59.01382	100.0
61.55836	0.8
69.00608	6.3
69.01015	2.3
71.01386	59.0
72.99313	2.7
83.01381	1.6
85.02961	9.5
87.00862	5.8
88.24004	0.9
89.02448	95.9
90.02806	1.5
95.01395	3.9
95.83150	1.0
101.02448	25.3
108.02195	2.8
109.02959	2.8
113.02448	24.9
119.03512	36.8
121.02887	1.1
123.04479	1.5
131.03516	3.6
136.01657	13.6
143.03462	4.5
149.04584	2.6
151.04013	14.7
159.04541	3.2
160.05331	4.9
161.04565	6.9
166.02737	1.8
171.04469	1.0
172.05287	1.0
174.03175	1.8
175.04030	1.1
175.07565	1.8
179.05641	18.1
179.07159	1.8
181.05081	3.8
187.03983	3.5
188.04785	6.1
193.06679	1.2
203.03551	1.8
203.07193	2.8
204.04185	1.4
209.06155	2.0
219.06665	1.5
221.06111	3.6
223.07706	1.2
233.06120	2.2
237.05563	12.1
247.04274	1.0
249.05563	9.4
250.06331	5.2
251.07188	1.0
252.08040	4.8
254.05986	1.4
254.63429	1.1
261.05579	3.8
262.06296	1.4
263.07108	1.6
264.07901	15.7
265.05060	14.6
265.08627	4.6
266.05753	1.5
267.06509	1.6
269.08084	1.2
276.07971	1.8
277.05054	3.1
279.06726	3.8
280.07397	21.9
281.08102	3.3
282.09012	1.2
291.06522	1.1
292.07373	3.1
294.09012	2.7
295.06375	2.2
295.09729	25.5
296.10208	3.2
307.06424	1.5
307.09647	5.0
309.07889	2.1
309.11316	1.8
310.08508	3.5
322.08447	1.2
325.10751	9.5
337.11005	2.2
343.11761	2.8
355.11865	49.0
356.12173	4.4
373.12775	2.8
377.64819	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.3
58.00594	4.9
59.01388	20.3
61.74463	1.2
61.98849	2.2
64.78777	1.2
68.69430	1.1
71.01386	8.4
73.02940	5.2
75.00881	3.2
80.91692	3.4
82.95422	4.5
85.02954	3.7
87.00890	1.4
87.04530	1.8
89.02449	9.9
89.96027	1.1
92.10347	1.3
93.03443	1.4
97.02964	1.5
98.21744	2.6
101.02454	6.4
103.03988	2.2
108.02190	5.5
109.02964	10.0
109.06617	3.1
113.02455	2.2
119.03548	2.7
121.02982	5.2
122.03767	4.9
123.04529	6.8
125.02456	2.1
131.03525	1.4
131.26904	1.5
133.02942	3.6
134.03764	2.6
135.04541	3.5
136.01688	8.1
137.02461	1.7
137.06114	2.8
145.02962	5.2
146.03746	3.2
147.04550	1.6
148.01669	8.2
149.02443	12.0
149.06017	2.2
150.03212	8.2
151.04005	7.0
153.05580	7.8
154.02745	1.5
160.05278	1.9
161.02473	5.7
161.04610	1.3
162.03221	6.4
163.04034	18.8
164.01120	1.4
164.04826	5.3
165.01939	1.2
165.05576	4.1
166.02725	2.6
174.03130	2.2
175.04033	1.9
177.01987	1.5
177.05580	3.7
178.02731	8.5
179.07204	2.4
180.04332	3.9
181.05054	5.3
188.04749	1.7
189.05612	3.0
190.06357	1.8
191.07166	1.7
193.05051	12.8
195.06650	16.4
202.02769	1.7
209.04498	2.7
209.06183	1.8
211.06122	2.6
217.05067	2.4
224.04785	1.9
225.05516	3.9
229.05051	1.6
236.04820	2.7
237.05612	4.0
238.06395	4.0
239.07195	2.4
249.05598	2.4
250.06650	2.0
251.07231	2.9
252.04330	3.5
253.05075	17.1
254.05612	2.1
264.62955	1.4
265.05124	7.1
266.05853	5.2
267.06671	13.8
268.07410	20.3
269.04584	1.8
269.07962	2.7
277.05161	3.1
279.06708	4.1
280.07434	4.6
281.04688	4.8
281.08228	7.5
282.08942	13.5
283.06238	4.3
283.09531	3.0
293.04660	4.1
294.09207	1.8
295.03156	1.4
295.06036	6.9
296.06946	17.1
297.07712	3.2
297.11362	9.7
298.08450	4.0
299.08975	1.7
308.06860	6.8
309.07800	3.0
309.11404	1.4
310.08524	3.6
311.05664	7.7
311.09280	20.6
312.09927	4.4
313.10861	2.4
323.09021	8.0
325.07187	5.1
325.10864	4.1
326.07980	15.0
327.08643	1.7
327.12473	3.1
329.10379	3.0
340.09488	15.6
341.10297	68.1
342.10678	4.0
353.10242	4.2
356.09113	6.3
371.11389	100.0
372.11603	8.2
373.12851	8.8
389.12439	9.3
453.23337	2.5
490.45569	1.4
535.20013	9.7
535.31256	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10464	1.0
53.12899	1.0
56.29284	0.8
57.03447	1.1
59.01377	5.0
59.96215	0.9
69.02301	4.2
69.02729	3.6
71.01371	2.3
72.99287	1.5
73.02959	1.6
76.73418	0.9
89.02458	1.5
93.03458	1.4
101.02444	1.5
108.02197	1.4
117.65464	0.9
121.02976	13.1
123.04550	2.8
135.04536	2.5
136.01665	3.8
136.78049	1.1
136.99200	1.2
137.02443	1.0
137.24608	0.8
143.06752	0.9
145.02995	2.5
147.04538	4.2
151.04019	6.9
160.05319	1.2
175.07678	2.3
177.05594	1.1
191.05716	2.3
193.05156	1.1
194.05901	1.3
227.07205	1.1
237.05571	1.9
239.07166	2.3
240.04437	1.9
241.05164	2.1
241.08745	2.4
251.07277	1.6
252.08083	1.1
253.05069	2.4
253.08676	2.5
254.05862	1.3
255.06668	8.7
263.07043	1.2
265.08658	1.3
267.06686	13.6
268.07379	6.1
269.08231	22.6
270.08655	2.2
275.82623	0.9
279.06882	1.1
279.10138	1.7
280.07458	2.4
281.08167	8.2
282.08786	1.6
283.09808	11.5
284.10443	5.5
295.09708	8.1
296.10605	2.9
297.11279	1.2
299.12799	1.7
306.26691	0.9
310.08508	1.5
311.09274	16.7
325.07211	1.8
325.10907	1.1
328.09430	7.2
329.13776	7.4
340.09525	23.6
341.09933	1.4
343.11880	100.0
344.12180	6.5
355.11902	64.5
356.12225	5.4
373.12939	16.0
374.13293	1.3
491.32327	3.6
535.17847	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42439	1.1
50.65805	1.3
59.01386	9.4
63.95507	1.1
66.47394	1.3
67.01878	1.4
70.55811	3.5
71.01382	7.7
73.02924	1.2
85.02956	2.7
89.02441	7.9
90.24405	1.1
95.01347	1.3
101.02459	5.1
108.02183	2.8
109.02961	11.7
113.02461	4.0
113.83168	1.2
119.03503	1.4
121.02975	1.7
123.00915	3.0
136.01674	83.4
136.99136	1.3
137.01997	2.6
146.35478	1.2
151.04019	97.7
152.04381	2.7
159.04433	1.7
160.05325	3.8
161.04866	1.7
161.06100	9.7
162.06888	13.2
169.07475	1.1
175.07628	1.9
177.09198	1.8
178.28653	1.3
187.03998	3.4
188.04791	4.9
189.05524	2.3
203.07176	5.7
205.08723	2.6
271.20963	1.3
281.08197	7.0
296.10541	16.3
310.08679	1.4
311.12866	26.1
325.10861	7.5
329.13956	100.0
330.14313	7.8
337.10757	3.0
355.12015	4.0
373.12906	5.6
398.60532	1.7
535.18134	24.4
536.18536	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.5
58.00594	1.4
59.01381	32.3
69.03439	1.0
71.00993	0.8
71.01385	14.1
72.31802	0.7
72.99314	1.2
73.02942	2.3
83.01389	1.7
83.05016	1.3
85.02942	4.3
87.00874	1.8
89.02454	15.3
93.03474	0.7
94.21430	0.6
95.01403	1.2
98.22542	1.4
99.00916	0.8
101.02451	10.7
101.81609	0.5
104.05071	1.9
106.06630	2.5
108.04560	3.3
109.02927	0.8
111.00900	0.8
113.02460	5.7
117.05594	0.9
119.03501	4.2
122.06136	1.0
123.00909	0.9
131.03589	1.5
132.04561	36.0
134.06129	21.7
143.03528	1.0
144.04585	1.4
145.08716	0.8
147.04546	1.2
148.04051	2.5
149.04543	0.8
150.05684	0.7
152.07204	3.7
158.02496	1.0
158.06107	4.3
160.04102	1.3
161.04643	1.0
176.03522	7.6
179.03502	0.7
179.05556	0.8
188.03549	2.0
190.05084	5.2
191.05623	1.4
227.11768	1.0
241.10869	2.0
251.11882	4.6
255.11482	1.7
264.94974	0.8
279.11389	14.4
280.11606	0.9
295.10992	3.5
298.08487	1.9
313.10843	4.5
314.12369	2.8
323.10419	10.8
325.10992	0.8
329.11179	0.9
337.12070	1.2
355.12674	0.7
358.10516	0.8
373.12949	10.4
374.13638	0.7
435.17554	4.7
447.33240	0.9
459.17755	20.2
460.18204	1.5
475.17316	3.5
491.32431	11.5
492.32623	0.8
503.16751	100.0
504.16986	7.9
517.18188	7.7
535.19446	9.0
535.27277	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	3.7
73.02953	2.4
78.95908	3.0
85.02988	3.2
87.04523	3.9
89.02447	3.0
92.52625	2.2
95.01369	2.1
95.05010	3.0
98.22640	3.8
99.04469	2.1
108.02194	11.8
109.02937	6.9
109.06593	2.7
115.34624	2.0
121.02921	6.8
123.00890	4.7
123.04511	7.1
124.01653	14.3
135.04512	9.1
136.01677	74.8
136.05203	2.3
137.02419	8.9
137.06111	12.2
138.03279	5.0
138.06418	3.2
139.04027	25.2
145.02985	4.6
148.05315	5.2
149.02469	6.0
150.03195	5.5
151.04025	63.2
158.03783	2.1
159.04584	4.4
160.05359	3.0
161.06087	5.2
162.03247	2.8
163.04050	2.3
164.04750	2.9
165.05550	3.0
172.05255	3.3
173.06110	3.7
175.04019	6.1
176.04733	2.5
177.05547	6.2
178.02719	3.3
189.05562	7.0
190.06348	6.1
191.07121	4.4
193.04999	4.3
203.07158	6.3
205.08681	3.7
218.09412	2.9
240.04012	2.4
241.05048	2.4
253.05034	6.5
267.06610	3.6
269.04611	5.0
275.07101	3.6
279.06488	5.2
280.07373	4.6
281.04562	14.6
281.08133	5.7
282.05029	2.3
284.07025	2.7
293.07959	4.1
295.06116	3.4
295.09708	4.0
296.07025	16.3
296.10263	3.4
299.09265	6.2
307.09784	3.8
309.07590	3.4
311.09256	22.4
321.07803	2.9
323.09119	4.5
324.10065	3.8
327.12296	2.1
328.09464	3.9
336.10062	4.0
338.11447	2.5
339.12375	6.6
343.11877	14.6
351.12384	3.5
354.68173	2.2
356.12665	3.2
358.14185	6.3
373.16565	55.1
374.17007	4.4
399.14447	18.4
427.11755	4.1
442.14108	3.7
472.15396	3.0
475.18057	28.2
477.21371	8.0
487.18576	23.9
488.18384	2.9
490.16037	2.1
492.71835	3.4
499.17780	2.7
502.16730	13.1
502.23294	2.5
505.18787	58.0
506.18753	5.1
517.18689	100.0
518.18927	7.4
535.19751	2.6
535.32062	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.6
58.00603	1.6
59.01386	37.9
59.98508	0.8
69.03423	1.3
69.08148	2.2
69.08551	5.4
71.01034	1.5
71.01391	17.3
72.99312	4.8
73.02950	10.3
81.03468	1.7
83.01404	1.8
85.02959	7.5
87.00899	3.3
87.04510	7.4
89.02459	11.0
93.03437	0.9
97.02950	1.7
99.04523	3.7
101.02451	16.1
103.04025	10.7
109.06582	4.1
113.02444	1.6
119.03511	6.0
121.06590	1.5
125.02466	11.4
127.04093	1.1
131.03505	2.6
135.04553	4.0
136.58139	0.9
137.06108	3.1
143.03529	3.0
145.05075	1.7
149.43356	0.9
160.84233	1.1
163.06131	16.0
164.92863	0.8
167.10791	100.0
168.11104	3.0
205.07195	3.9
247.08252	3.3
293.73550	0.9
307.10416	6.3
355.25269	1.1
373.16348	0.9
373.25928	1.0
403.17282	1.6
426.06177	1.1
459.20020	1.7
475.21790	1.5
477.21280	9.9
501.57501	1.0
535.25024	3.5
535.32306	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	3.4
69.54705	12.1
69.55130	11.4
82.16595	3.3
98.22581	6.9
133.02969	22.2
134.03778	31.1
135.04532	42.5
139.30652	3.8
160.01659	15.0
161.02426	12.3
175.04018	25.5
179.03477	19.5
193.04950	7.9
280.41873	4.2
326.11682	4.5
475.14157	8.8
487.14435	4.5
490.16708	6.8
502.16531	11.1
503.17282	4.0
505.18692	100.0
506.19180	11.8
517.18634	69.0
518.19128	10.4
535.20490	3.9
535.27637	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.3
59.01373	4.0
66.90347	1.9
69.09129	4.2
69.09528	11.3
78.95911	2.3
90.08409	1.6
90.93937	1.9
98.22593	3.3
135.32265	2.0
152.99602	3.5
184.76089	1.7
312.43719	2.0
369.24100	3.2
379.26443	2.6
395.25934	4.2
397.27380	4.7
441.26346	7.7
472.96497	2.1
497.29178	3.9
499.30725	100.0
500.30902	8.9
502.46829	1.9
508.68805	2.0
531.36261	2.1
536.39532	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3129
Annotation	Antibiotic BU 2867TG
Peak:m/z	Relative Intensity
52.85752	0.5
54.00514	0.5
57.03456	1.2
59.01093	1.1
59.01386	18.5
61.98833	2.0
63.13084	0.5
69.03454	0.5
71.01389	12.2
71.32269	0.8
72.04995	0.6
72.99318	1.1
73.02955	2.2
78.62815	0.5
81.89806	0.5
83.01395	2.6
85.02972	3.7
87.00901	1.6
88.98836	0.5
89.02450	5.8
95.01387	0.7
96.96020	2.1
96.96960	1.3
97.06602	1.8
101.02454	6.8
105.38121	0.6
108.02185	0.8
109.02977	0.8
113.02458	4.1
119.03553	1.3
121.02991	0.9
125.02462	1.0
139.11371	0.8
171.10275	0.6
183.05879	0.8
185.11909	1.1
211.16937	1.3
239.16560	1.8
257.17651	4.2
295.22873	1.6
307.22974	0.5
313.23862	2.0
325.23785	3.7
337.23981	1.0
341.06796	0.6
343.24832	6.9
355.24884	7.0
358.14117	0.6
373.12463	1.2
373.26044	5.4
374.26636	0.6
393.06235	1.0
407.78061	0.5
419.22870	0.6
475.28815	0.7
487.28809	1.1
505.30392	7.0
517.30371	4.7
535.31281	100.0
536.24292	0.9
536.31683	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3129
Annotation	glas#24
Peak:m/z	Relative Intensity
50.95971	0.8
57.03461	1.5
58.00597	1.1
59.01383	13.3
61.98833	1.7
63.01190	0.8
69.03471	0.8
69.16604	6.0
70.67429	0.7
71.01385	7.9
71.05032	1.2
73.02952	3.3
75.00887	1.4
83.01414	1.2
83.51016	0.7
85.02966	3.8
87.00898	2.4
87.04549	1.0
89.02459	4.5
99.04554	1.6
101.02448	4.6
109.06628	3.2
113.02474	2.4
118.01858	0.8
119.03543	0.9
121.06610	1.2
125.09769	1.2
135.04532	0.8
137.02533	0.8
137.06165	0.8
139.07726	0.9
141.09285	0.8
143.67557	0.8
153.05579	1.0
155.10858	2.0
157.82935	0.8
162.89157	0.8
163.11288	2.6
163.32188	0.9
169.12355	1.1
171.10303	2.8
201.11368	1.8
201.27945	0.8
305.11276	0.8
307.22849	0.9
325.24014	3.2
337.23828	1.0
343.24951	6.0
355.24899	13.9
371.24484	1.2
373.25961	20.8
373.30457	1.3
374.26404	1.9
379.19333	1.1
384.83795	0.8
397.20361	2.1
415.21405	3.1
491.26358	5.0
535.31488	100.0
536.31873	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.328
Annotation	13(S)-HODE-biotin
Peak:m/z	Relative Intensity
50.65290	0.5
55.94460	0.5
57.03444	1.0
59.01374	1.9
61.98846	2.3
69.04318	4.7
71.01388	9.3
73.02951	1.5
74.37326	0.4
75.24863	0.4
76.67464	0.4
78.95906	0.5
80.91698	0.7
85.02962	1.9
87.00882	1.8
87.04530	9.5
89.02454	65.1
90.02780	0.6
98.21910	1.2
98.22562	1.1
99.04541	1.2
101.02434	0.8
109.06596	0.8
115.04073	0.5
135.04507	1.2
137.06078	1.3
189.01656	0.5
203.06949	0.6
243.70439	0.5
257.11914	0.6
257.19147	0.6
337.69794	0.5
357.24384	0.7
373.16559	0.6
383.25616	0.5
397.20016	0.8
401.27051	8.1
402.27075	0.5
403.17831	0.9
427.28534	1.1
438.18823	0.6
477.21347	3.8
491.26813	0.8
517.24786	0.6
517.31989	1.3
535.32813	100.0
536.26233	0.6
536.33130	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90467	10.6
59.01365	22.6
69.15634	100.0
111.08714	10.0
121.02987	14.8
138.15472	10.6
158.33752	12.7
224.68858	9.9
311.09293	13.3
357.05869	11.0
476.23849	12.5
526.64307	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	9.7
71.86657	6.0
98.21822	11.6
99.05140	4.9
138.06888	7.4
140.07523	5.6
164.86028	5.8
164.89240	4.9
213.05580	5.7
299.01315	5.6
326.80997	5.3
347.50314	5.5
377.24893	13.0
378.25336	42.9
454.30505	100.0
501.32129	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
61.52438	61.6
64.02119	68.5
71.30734	75.7
84.96080	55.4
136.33563	56.6
143.36685	67.1
160.45169	62.9
162.64891	64.1
174.76445	64.2
182.59636	61.7
246.07460	75.6
366.87048	75.6
397.62527	67.5
425.52722	64.9
494.20340	100.0
560.58368	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65210	9.0
54.76603	7.6
61.65820	8.0
69.02081	100.0
103.36141	9.1
146.09576	8.8
248.18552	8.2
251.15997	9.6
419.32773	9.2
475.36844	9.1
500.89221	8.4
530.68054	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42870	17.4
61.98827	21.3
62.21160	15.6
68.37160	16.4
69.01972	100.0
69.02377	27.5
82.40208	16.2
98.21756	35.6
155.74174	21.6
195.29259	18.4
228.41315	16.9
345.02994	17.8
454.17233	18.5
467.30280	17.6
489.09912	20.0
493.26059	90.3
499.63098	17.4
536.26428	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22473	11.9
54.50568	12.4
59.01379	12.3
61.98840	12.7
68.98543	100.0
68.98946	30.9
108.11828	12.6
110.68541	12.8
127.27206	12.6
131.12480	12.5
140.31386	12.0
148.30458	14.5
151.04085	16.3
154.72400	14.8
164.04803	14.6
171.40401	12.1
176.74815	13.6
179.07126	19.6
239.38374	13.9
250.20932	17.4
327.73599	15.8
465.20142	14.8
484.20428	15.0
536.25128	21.5
536.32465	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	4.6
59.01383	37.4
61.98829	8.5
69.03458	3.8
69.75526	16.0
71.01390	32.0
73.02940	5.5
84.18491	3.4
85.02953	9.0
87.00894	5.2
88.98802	5.8
89.02460	23.8
93.51212	3.9
101.02449	15.5
107.83994	4.1
108.02182	11.8
113.02444	9.6
125.02478	6.1
135.00877	7.2
137.02516	4.0
152.01160	10.2
153.01956	8.2
161.04480	5.8
243.06635	10.4
312.14249	4.1
326.24478	3.5
356.25458	5.5
357.26559	12.9
373.26074	4.4
374.26334	10.4
375.27451	8.3
429.10272	8.1
493.28098	9.4
536.31647	100.0
537.32886	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	52.8
61.96323	9.5
68.14690	7.2
71.01383	45.1
73.02972	11.9
81.12027	7.9
82.49731	8.6
85.02950	24.0
87.00945	12.0
89.02465	39.0
100.84854	8.2
101.02475	31.1
113.02503	15.5
138.08171	10.0
149.02495	11.4
191.05630	16.3
211.31093	11.0
265.94067	10.9
373.26083	31.9
374.26437	52.6
375.27567	100.0
414.77930	9.4
493.27808	13.3
536.32031	60.9
537.32690	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00156	1.5
55.01873	2.5
56.66114	1.5
57.03454	2.4
58.41848	1.6
59.00492	1.4
59.01384	24.4
61.98840	7.7
71.01390	28.6
72.69830	1.3
73.02938	8.4
78.35631	1.5
83.01386	4.1
84.11095	1.4
85.02952	15.0
87.00843	2.7
89.02458	14.3
98.22191	9.6
99.00892	2.8
101.02453	25.8
113.02456	17.0
118.65673	1.3
119.03525	5.6
119.92030	1.5
124.16993	1.5
133.16153	1.7
149.78896	1.6
159.03000	2.6
161.04599	12.6
179.05592	3.4
191.05679	9.0
195.19296	1.6
216.80164	1.7
243.04323	1.7
243.06490	7.9
269.04761	1.4
269.19263	3.5
299.87210	1.6
321.11246	1.8
331.22751	7.2
357.38419	1.5
377.03424	1.5
393.81232	1.4
452.01743	1.7
476.28192	1.8
477.19098	4.1
478.21442	2.2
479.58307	1.8
489.19238	4.3
493.28098	100.0
494.28540	8.4
494.34531	1.8
519.20050	4.0
537.32532	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	12.5
61.98833	100.0
62.43760	7.9
69.08241	10.6
69.08634	66.9
71.01385	17.0
76.52838	6.4
78.95883	10.1
85.02970	8.2
89.02443	15.4
101.02448	10.5
117.63250	7.1
126.43744	6.5
142.06351	7.7
152.99599	9.6
155.73463	8.4
227.00931	7.5
280.03723	7.8
493.28186	13.1
536.32874	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.9
59.01382	22.4
59.59730	1.0
60.11543	1.0
60.99306	17.0
61.98835	2.3
65.00313	1.0
68.49780	1.1
69.32446	1.0
71.01388	14.9
71.05015	2.7
72.99297	2.8
73.02939	6.1
74.99081	4.0
76.21185	1.0
83.01396	1.5
83.05025	1.0
84.63653	1.0
85.02959	6.0
87.00878	2.1
88.98811	100.0
89.02444	13.6
99.00916	1.3
101.02446	11.6
107.01385	2.3
108.02222	1.3
109.02937	2.0
111.42675	1.1
113.02438	5.6
119.03507	3.1
121.03006	1.3
125.02494	2.2
131.03510	4.8
136.99187	3.1
139.41165	1.1
148.29936	1.0
149.04565	2.4
151.00372	6.6
153.12880	1.5
161.04587	4.4
162.03255	1.1
163.00302	1.9
164.04823	6.5
169.06386	1.0
178.99855	3.2
179.07074	5.2
183.10286	7.7
191.05609	2.9
197.11858	10.2
199.13428	5.9
200.13753	4.3
213.57930	1.1
227.03523	2.7
241.37744	1.2
243.02940	5.4
254.02267	1.2
255.02969	10.8
271.02496	20.2
272.02789	1.4
283.02328	1.7
284.03171	1.6
300.02780	38.4
301.03519	32.0
301.06778	2.0
302.03922	2.0
331.17502	3.3
345.19394	1.5
357.26373	1.2
375.27716	2.7
390.93167	2.0
407.93652	1.1
447.09348	68.2
448.09613	4.4
451.78931	1.1
477.23535	8.0
493.24030	2.2
536.31561	3.0
537.23492	6.0
537.32556	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96935	1.5
57.03442	3.0
58.00591	1.4
59.01386	28.2
60.53000	1.6
60.99316	13.5
61.68879	1.7
61.70642	1.6
71.01386	19.4
72.99295	3.2
73.02961	5.8
74.12385	1.4
74.99086	3.0
75.00879	3.5
85.02964	6.1
88.98811	100.0
89.02448	22.7
93.15585	1.8
98.21770	6.0
101.02467	9.4
109.02975	2.2
110.92054	1.7
113.02454	5.7
119.03477	2.2
121.03025	2.1
123.22395	1.5
125.02411	2.4
129.09212	15.2
133.02991	2.2
136.01654	13.8
136.86263	1.5
136.99153	4.0
137.02005	3.3
138.02094	2.3
143.10779	5.2
149.04550	3.2
151.04010	13.0
152.04369	6.7
153.04555	2.7
161.06093	2.2
171.10281	12.8
183.10204	2.9
194.40627	2.0
195.06734	3.0
199.07759	3.3
201.11397	7.8
209.08173	2.8
229.72707	2.8
255.03049	2.5
284.03171	3.5
311.13123	2.4
313.13757	2.0
329.13943	5.8
330.14377	8.0
331.14511	9.2
342.11224	2.5
357.13528	15.1
375.14545	4.3
410.75787	1.7
447.09311	7.4
456.15643	2.0
459.14105	1.8
491.19171	2.0
493.24625	2.4
537.20935	2.4
537.29834	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59087	0.6
57.03463	0.9
59.01387	9.0
61.98852	0.8
64.53770	0.7
65.03973	3.2
67.01900	1.6
70.72250	2.0
71.01394	6.6
73.02948	1.2
85.02959	1.2
87.00882	1.1
89.02441	5.5
91.01901	25.6
99.00938	0.7
101.02443	3.6
107.05036	0.8
108.02198	1.1
109.02956	25.8
110.97967	0.6
113.02452	1.7
121.02963	0.9
125.02441	1.5
130.69115	0.8
131.03526	0.7
135.00896	74.0
136.01224	1.8
137.80113	0.7
153.01952	100.0
154.02301	2.4
164.04889	0.8
165.05574	1.3
169.12344	1.0
191.05624	0.9
194.28429	0.7
243.06586	2.7
297.06244	2.5
311.22134	0.7
357.26474	6.8
375.14612	1.1
375.27530	13.5
385.80496	0.7
419.35208	0.7
429.10345	2.9
455.43488	0.7
531.15649	0.7
536.31311	0.8
537.23724	2.4
537.32782	51.8
538.32953	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35866	0.3
57.03445	0.5
57.51184	0.3
59.01383	2.0
61.98838	1.9
63.37408	0.4
65.00311	0.6
69.13963	0.3
71.01380	1.2
71.13278	0.4
71.31603	0.6
73.02937	0.4
75.00879	16.9
80.02682	0.6
85.02950	1.0
87.00851	0.5
88.98841	0.4
89.02435	0.9
91.01900	12.9
93.03485	1.8
95.01376	0.6
97.02975	0.6
101.02460	0.6
107.01343	0.6
107.05046	0.7
108.02184	15.5
109.02972	4.0
113.02458	0.6
121.02953	0.9
123.00901	4.8
123.04556	0.5
124.01672	0.4
125.02494	0.7
135.00897	12.9
135.04491	0.5
136.01239	0.4
137.02489	4.1
147.04517	0.5
149.02425	0.4
152.01170	15.6
152.76329	0.4
153.01997	0.5
158.03726	0.5
159.04514	1.2
160.05270	1.6
161.06094	1.1
163.04010	0.6
164.04831	0.6
167.21614	0.3
169.06653	0.5
170.16504	0.4
175.07573	1.0
177.05605	0.5
191.05540	0.6
197.06055	1.4
213.05614	2.1
215.07115	0.8
238.06372	0.4
243.06633	100.0
244.06972	5.2
255.06583	0.7
266.05957	0.9
267.06662	1.5
269.08121	1.5
281.08203	2.0
282.08759	0.4
284.10754	0.4
286.69687	0.4
292.20715	0.4
341.23331	0.5
357.26572	0.6
367.53134	0.4
375.27640	0.9
429.09811	0.6
439.23511	0.6
447.18268	0.7
459.18518	0.7
471.92886	0.4
474.16721	0.5
477.19235	6.7
478.19846	0.7
480.47977	0.4
489.19296	9.1
490.19891	0.9
519.26086	0.7
537.16156	4.4
537.24585	0.5
537.33234	3.9
538.16455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.6
59.12617	0.6
61.93055	0.7
65.03977	5.2
67.01884	4.1
69.14246	0.7
71.01399	3.7
71.38301	1.2
85.02989	0.9
89.02451	5.1
91.01901	14.9
97.03024	1.0
101.02454	1.6
109.02958	31.1
121.02962	1.0
121.86565	0.8
125.02456	2.3
135.00896	45.5
135.98384	1.3
136.01212	0.8
137.02466	3.3
138.03345	0.8
145.02954	0.9
151.03960	1.0
153.01953	100.0
154.02313	2.3
162.04736	0.8
164.04884	0.9
171.31442	0.8
179.07106	1.2
181.05058	3.3
191.05634	0.8
195.06673	1.7
233.06718	1.4
271.90750	0.7
311.09354	0.9
360.12183	1.9
375.14545	7.6
429.10294	5.9
429.48413	0.8
537.19421	5.5
537.32666	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59087	0.6
57.03463	0.9
59.01387	9.0
61.98852	0.8
64.53770	0.7
65.03973	3.2
67.01900	1.6
70.72250	2.0
71.01394	6.6
73.02948	1.2
85.02959	1.2
87.00882	1.1
89.02441	5.5
91.01901	25.6
99.00938	0.7
101.02443	3.6
107.05036	0.8
108.02198	1.1
109.02956	25.8
110.97967	0.6
113.02452	1.7
121.02963	0.9
125.02441	1.5
130.69115	0.8
131.03526	0.7
135.00896	74.0
136.01224	1.8
137.80113	0.7
153.01952	100.0
154.02301	2.4
164.04889	0.8
165.05574	1.3
169.12344	1.0
191.05624	0.9
194.28429	0.7
243.06586	2.7
297.06244	2.5
311.22134	0.7
357.26474	6.8
375.14612	1.1
375.27530	13.5
385.80496	0.7
419.35208	0.7
429.10345	2.9
455.43488	0.7
531.15649	0.7
536.31311	0.8
537.23724	2.4
537.32782	51.8
538.32953	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35866	0.3
57.03445	0.5
57.51184	0.3
59.01383	2.0
61.98838	1.9
63.37408	0.4
65.00311	0.6
69.13963	0.3
71.01380	1.2
71.13278	0.4
71.31603	0.6
73.02937	0.4
75.00879	16.9
80.02682	0.6
85.02950	1.0
87.00851	0.5
88.98841	0.4
89.02435	0.9
91.01900	12.9
93.03485	1.8
95.01376	0.6
97.02975	0.6
101.02460	0.6
107.01343	0.6
107.05046	0.7
108.02184	15.5
109.02972	4.0
113.02458	0.6
121.02953	0.9
123.00901	4.8
123.04556	0.5
124.01672	0.4
125.02494	0.7
135.00897	12.9
135.04491	0.5
136.01239	0.4
137.02489	4.1
147.04517	0.5
149.02425	0.4
152.01170	15.6
152.76329	0.4
153.01997	0.5
158.03726	0.5
159.04514	1.2
160.05270	1.6
161.06094	1.1
163.04010	0.6
164.04831	0.6
167.21614	0.3
169.06653	0.5
170.16504	0.4
175.07573	1.0
177.05605	0.5
191.05540	0.6
197.06055	1.4
213.05614	2.1
215.07115	0.8
238.06372	0.4
243.06633	100.0
244.06972	5.2
255.06583	0.7
266.05957	0.9
267.06662	1.5
269.08121	1.5
281.08203	2.0
282.08759	0.4
284.10754	0.4
286.69687	0.4
292.20715	0.4
341.23331	0.5
357.26572	0.6
367.53134	0.4
375.27640	0.9
429.09811	0.6
439.23511	0.6
447.18268	0.7
459.18518	0.7
471.92886	0.4
474.16721	0.5
477.19235	6.7
478.19846	0.7
480.47977	0.4
489.19296	9.1
490.19891	0.9
519.26086	0.7
537.16156	4.4
537.24585	0.5
537.33234	3.9
538.16455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01528	2.0
57.03447	5.6
59.01383	45.6
61.98828	8.8
62.56767	1.8
69.03460	10.3
71.01381	19.6
73.02960	3.2
85.02943	5.5
89.02451	32.7
92.84091	2.3
94.69878	2.4
101.02456	12.8
109.02990	3.0
113.02464	4.0
119.03527	5.1
121.02955	2.7
123.04491	2.0
125.02461	8.4
131.03502	13.2
134.03770	2.2
135.04541	2.2
139.11304	19.0
143.38708	2.1
145.02995	6.4
146.03728	2.9
149.04588	10.8
149.06053	2.2
161.04623	2.7
162.03252	9.5
163.04082	3.2
163.06194	2.5
177.05627	11.1
183.10277	100.0
184.10625	3.7
191.05620	6.9
195.06635	7.2
229.40138	1.9
253.75812	2.3
275.64786	1.9
283.09906	2.3
293.08780	7.4
323.84879	2.0
326.11502	2.5
334.52988	2.0
344.12759	7.9
355.11911	6.2
357.13443	9.5
359.14902	19.4
363.01294	2.4
443.97440	2.4
491.19266	31.9
507.20111	2.7
537.19659	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	13.1
68.99818	10.0
69.13774	13.4
71.01385	9.7
72.99294	2.3
73.02939	2.7
74.35223	2.0
75.00871	4.5
80.13890	1.9
83.01392	3.4
89.02449	4.2
90.76327	1.8
93.03479	2.3
101.02451	6.7
106.32298	1.9
108.02181	44.7
109.02982	3.8
113.02441	2.2
117.03524	2.1
121.02979	26.4
122.03751	3.8
123.00868	12.1
123.04539	31.1
132.02179	4.5
133.02930	4.5
135.04527	5.5
138.03227	14.3
138.27499	1.8
147.04521	2.5
148.01682	3.6
149.02412	12.8
150.03239	18.1
151.03952	2.9
153.05563	3.3
161.02458	8.4
162.03241	34.0
163.04015	13.8
164.04781	3.2
165.05649	2.9
166.06342	5.0
177.02045	2.2
177.05576	37.9
178.02733	28.9
179.03525	4.1
181.08757	2.7
193.05069	35.2
193.96451	1.9
215.07568	1.9
221.08246	6.7
343.11954	3.5
344.12631	2.8
359.15063	4.9
375.14703	2.6
383.13461	5.9
459.50659	2.1
477.23553	4.3
485.53284	1.9
491.19229	11.1
493.27328	1.9
502.92844	2.1
507.18744	100.0
508.18713	10.6
519.18744	31.0
520.18573	2.2
537.19788	87.6
538.20111	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	21.8
67.01875	2.3
69.41549	2.9
69.41944	1.7
71.01389	15.0
83.01407	1.2
85.02956	1.5
89.02452	23.0
95.01380	1.9
101.02450	6.9
108.02184	64.9
109.02963	3.5
113.02414	4.1
119.03513	7.0
121.02953	1.4
123.00912	5.4
123.04535	54.2
124.01720	1.4
124.04842	2.1
135.04552	3.1
138.03305	1.0
143.03503	2.4
149.04573	1.1
161.04662	1.6
162.03214	1.8
175.04057	2.8
176.04765	1.4
179.05574	7.4
179.07083	2.1
180.04247	2.4
180.07928	3.9
191.69208	0.9
195.06732	6.1
205.04994	1.3
206.05843	13.1
207.06619	11.0
221.08217	35.3
321.18039	1.2
327.08649	1.5
330.11053	4.6
345.13452	100.0
346.13858	8.3
357.13388	4.3
442.85400	1.0
471.80859	1.0
507.18710	7.4
516.65912	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	3.8
68.98531	14.2
89.02470	3.4
98.21820	3.3
108.02186	66.7
109.03012	3.0
109.64009	1.8
123.00925	6.3
123.04536	67.8
135.04482	2.0
162.03239	2.9
175.04019	3.9
176.04694	2.5
179.07062	1.7
180.07918	5.7
206.05826	13.0
207.06567	10.7
221.08203	40.1
222.08598	1.8
330.11142	3.7
345.13440	100.0
346.13788	7.1
357.13440	2.5
463.75647	1.8
507.18945	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26835	1.2
55.01876	2.6
57.03443	1.7
57.41587	1.4
58.00591	5.8
58.68419	1.2
59.01382	97.9
62.00300	1.3
69.40606	3.5
69.41003	4.5
71.01389	57.3
71.19975	1.4
72.99312	6.6
73.02935	5.3
83.01391	5.8
85.02949	12.1
87.00887	9.8
89.02453	68.3
95.01395	4.2
101.02454	36.7
108.02188	3.8
109.02959	4.2
113.02464	20.2
119.03513	33.4
123.04513	4.8
131.03514	3.2
133.02972	1.7
135.04558	3.7
137.02400	1.7
143.03497	4.5
149.04517	1.9
151.04019	4.1
159.04602	2.1
161.02499	1.6
161.04584	3.6
169.56441	1.6
171.04498	1.4
173.06039	3.0
175.03989	4.1
176.04800	4.0
179.05605	6.8
179.07121	2.9
187.04008	2.8
188.04814	4.6
189.05591	5.2
191.07185	6.3
194.69104	1.4
200.04790	1.8
201.05557	3.9
203.07195	4.4
218.05789	1.7
225.05650	1.4
241.05034	6.0
242.05931	2.8
243.06648	2.8
247.07675	1.6
251.07222	2.4
255.06624	3.4
256.07440	4.0
257.08228	7.1
265.08701	1.6
267.06818	2.8
268.07559	1.6
269.08206	4.4
271.09808	1.9
279.06668	4.6
281.08228	1.5
282.09012	3.3
283.06256	1.8
283.09619	2.5
290.09506	4.7
291.06589	2.6
293.08334	2.2
294.08990	8.0
295.09729	2.9
297.07697	5.0
305.08569	1.5
306.08966	5.5
309.08005	1.7
309.11346	5.6
311.09302	5.1
312.10052	11.4
313.10626	2.0
321.11383	9.7
323.09479	1.7
324.10168	4.0
325.10870	2.3
327.08850	1.8
327.12335	17.5
329.10059	1.6
339.12354	12.9
342.11108	5.9
345.13525	7.8
357.13422	26.5
358.13846	2.1
360.12088	8.9
375.14508	100.0
376.14853	6.6
447.14127	7.0
448.14401	1.7
459.13596	1.9
501.17456	2.9
537.19843	79.0
538.20251	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	13.7
57.84035	2.6
58.00599	5.8
59.01381	100.0
61.98830	6.3
71.01034	5.5
71.01390	64.1
71.05022	5.5
71.29805	4.3
72.99309	13.3
73.02938	7.5
75.00880	23.3
83.01398	7.0
85.02939	20.7
87.00875	24.8
89.02455	79.6
95.01343	3.3
101.02457	49.7
103.04025	5.7
108.02183	42.4
109.02964	8.3
113.02439	22.3
119.03503	27.1
121.02979	4.9
122.03756	6.0
123.00867	5.7
123.04543	35.1
125.02488	4.9
129.01984	4.9
131.03522	8.7
135.04588	3.2
136.01657	38.1
137.02472	8.2
143.03571	6.9
145.02962	6.4
147.04558	3.9
148.01691	4.9
148.05270	3.9
149.02438	11.0
149.04558	9.1
149.06064	4.4
150.03210	15.4
151.04025	62.8
153.05626	6.1
159.04599	3.7
160.05324	7.1
161.02461	6.7
161.04576	6.9
162.03278	4.7
163.04074	15.9
163.06128	12.1
163.07579	4.6
164.04747	7.3
165.05571	8.6
175.03989	8.8
175.07620	7.2
176.04848	13.5
177.05545	4.9
179.03674	2.8
179.05629	12.7
180.07915	3.0
180.65067	2.7
183.10237	35.0
187.03967	8.2
188.04832	4.5
191.05612	5.7
191.07123	24.8
193.04984	4.9
195.06630	4.9
203.07170	10.1
205.05095	6.7
206.71864	3.3
221.08244	17.7
227.07268	3.4
228.07487	4.0
229.07722	3.9
235.09898	4.2
237.06110	5.5
269.08157	5.1
279.06662	7.0
294.08978	7.0
309.11353	10.9
311.09418	4.3
312.09894	5.5
313.14389	3.6
315.12384	6.6
317.14001	11.4
327.12387	39.7
339.12360	7.1
343.11957	6.2
345.13589	27.5
356.11362	5.3
357.13483	31.0
375.14517	16.8
383.13611	6.0
391.14029	6.6
477.23538	5.6
507.19415	30.9
508.18784	3.8
537.19611	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
61.98836	1.9
65.00315	0.8
74.96026	1.0
75.00879	2.4
78.41090	0.7
89.02491	0.8
91.01908	13.3
93.03471	1.9
95.01402	1.0
98.22567	1.5
107.05035	0.9
108.02197	19.0
109.02976	5.1
121.02994	2.5
123.00912	6.0
135.00911	13.9
135.04500	2.1
137.02458	9.2
140.73409	0.8
146.03737	1.3
147.04562	4.3
148.05267	0.9
150.03273	1.5
151.04111	1.2
152.01169	14.3
152.21138	0.8
158.03767	2.3
159.04527	5.5
160.05327	7.9
161.06073	4.6
163.04048	3.5
164.04800	2.3
173.06065	3.2
175.07645	5.5
177.05638	4.6
178.03928	0.9
178.06418	1.8
180.39592	0.9
197.06044	1.4
213.05630	1.3
225.05615	1.5
237.05727	1.1
238.06337	1.8
239.07100	2.1
243.06638	100.0
244.07001	5.2
249.05611	1.2
250.06223	1.2
254.05891	2.7
255.06584	2.0
266.05676	4.1
267.06638	9.9
269.08224	6.6
270.08893	1.5
281.08261	11.6
282.08893	3.5
314.08075	1.9
371.15027	1.3
417.13321	1.2
429.13782	1.1
444.15884	3.4
447.18213	1.5
459.18207	3.3
474.16934	2.0
477.12177	1.7
477.19202	36.1
478.19333	2.5
489.19263	46.8
490.19479	5.5
507.20074	3.6
519.20300	1.7
537.16003	3.7
537.32245	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	3.6
61.98826	9.6
69.82890	11.6
71.01376	2.7
74.59528	2.3
81.03424	2.0
85.02985	2.5
91.01912	12.8
91.07238	2.1
91.46114	2.0
93.03461	4.8
98.21727	2.3
101.02457	3.8
108.02201	20.7
109.02962	7.1
121.02970	13.3
123.00942	3.5
123.04526	2.9
135.00931	11.5
135.04532	4.9
137.02487	5.5
138.38895	2.1
142.07051	2.2
145.02994	5.3
149.02487	2.3
152.01129	12.1
159.04565	3.3
173.06033	3.1
174.06772	2.6
180.07896	8.3
197.06082	3.0
198.40533	2.4
203.07103	3.5
217.08774	4.8
223.09807	19.3
243.06630	84.7
244.06812	3.3
266.06049	2.7
275.07037	3.4
277.08600	4.3
281.08099	4.1
289.08615	3.7
290.09424	3.8
291.10434	2.7
292.07440	4.5
293.08218	17.0
294.08984	10.6
295.09668	3.2
296.10513	3.7
298.08337	2.5
304.07205	3.1
305.08289	18.6
305.11368	4.2
306.08887	13.2
307.09677	7.1
308.10532	15.2
309.11386	18.4
310.08450	4.0
310.11887	3.2
311.09360	3.3
312.09906	2.7
319.09674	4.7
320.10562	18.4
321.11411	27.3
322.08496	3.0
322.11963	4.4
323.09378	5.0
323.12909	15.3
325.10886	4.7
326.11566	9.3
335.12994	4.0
337.10876	5.8
338.11819	10.9
340.12881	2.7
371.15088	4.0
395.86472	2.3
459.14020	11.8
462.16809	5.8
471.14496	5.5
474.16766	17.3
477.19208	100.0
478.19461	13.5
489.19357	59.0
490.19580	3.6
495.30167	3.2
501.19183	4.4
503.89859	2.7
504.18027	4.6
507.20041	5.9
519.20251	88.0
520.20496	10.1
537.32153	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39947	0.9
57.03442	4.2
57.73992	0.9
58.00579	1.1
59.01095	2.0
59.01384	39.5
61.98842	2.3
69.03455	8.7
71.01387	20.5
71.05025	1.7
72.99306	3.1
73.02940	2.8
74.99093	1.5
83.01398	1.3
85.02949	4.2
88.98801	1.0
89.02451	31.0
93.03529	1.0
93.90025	0.9
97.02972	1.8
99.00878	2.0
101.02439	12.6
109.02960	1.2
111.08144	1.7
113.02468	4.7
116.86903	1.0
119.03506	3.2
125.02460	8.9
128.98718	1.0
129.01912	1.1
131.03494	16.7
135.98311	1.6
139.11301	15.2
149.04572	12.8
161.04549	1.5
183.10278	100.0
184.10648	3.3
191.05618	11.5
191.55095	1.0
273.07806	1.2
293.08792	10.1
375.14529	1.3
375.27356	2.4
398.68814	1.1
477.19678	3.0
507.19833	1.4
537.22955	6.3
537.32593	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88441	1.3
57.03442	1.9
58.00595	3.2
59.01384	100.0
61.98829	1.8
69.03455	3.9
71.01389	67.2
71.29867	1.9
72.99311	3.1
73.02952	8.6
81.03472	2.2
83.01392	3.7
84.17760	1.4
85.02965	14.8
87.00877	3.2
88.98769	1.3
89.02452	83.6
93.03475	2.2
95.01389	3.3
96.96029	8.8
97.02946	6.5
99.00896	3.2
101.02454	28.3
108.02201	1.8
109.02965	2.7
111.93472	1.2
113.02460	16.4
119.03536	6.5
119.87849	1.2
125.02456	25.8
125.06097	4.5
131.03508	21.9
131.07117	1.5
135.04523	2.2
141.34097	1.4
143.03510	5.7
149.04568	32.8
149.09695	2.1
153.01961	3.4
159.10265	1.4
161.04552	9.2
161.24274	1.4
165.09311	1.6
165.86475	1.3
167.10800	1.6
173.04575	1.7
179.05664	1.7
183.10315	2.1
191.05621	11.1
214.43555	1.4
233.06682	2.2
243.16107	5.4
277.99384	1.3
287.11331	2.5
293.08810	41.5
294.09195	3.5
295.14529	1.5
310.12949	1.5
345.15588	1.8
375.14478	2.8
405.21323	13.6
419.15402	7.4
423.26959	1.4
537.18347	2.0
537.26208	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.5
57.03455	0.9
57.25687	0.9
57.77786	0.9
58.00594	1.6
58.50554	0.8
59.01383	28.8
60.01719	1.3
69.03415	1.0
71.01384	18.9
71.31420	1.7
72.99322	3.0
73.02959	6.7
75.00887	1.3
81.03476	1.0
83.01412	3.9
85.02954	9.0
87.00898	2.8
89.02447	10.3
95.01385	1.7
99.00896	2.4
101.02452	15.3
108.02190	2.5
109.02960	1.3
111.00838	1.2
113.02457	7.6
119.03539	2.8
121.03004	1.3
122.79575	0.9
123.00948	1.7
123.04562	2.6
125.02470	1.9
131.03496	3.1
137.02432	1.1
138.03284	2.8
149.02412	1.1
150.03157	1.3
153.05583	3.9
161.04587	2.8
163.06195	1.5
164.32550	0.9
166.06419	1.1
179.05722	1.0
181.08745	1.4
215.03609	2.7
219.08795	0.9
225.01924	1.1
226.02721	1.2
227.03535	1.2
230.05768	1.3
241.72829	1.0
243.02985	19.6
244.03783	6.9
253.05287	1.3
258.05334	30.1
259.06128	16.1
271.06168	1.3
273.07700	52.0
274.08246	4.3
286.08551	3.9
287.09314	1.6
288.10068	6.2
295.06143	3.1
301.10837	8.5
310.08640	1.3
325.10818	4.5
331.17688	1.5
342.14923	1.0
345.13367	3.2
345.19272	2.7
354.63696	1.1
357.26013	1.5
360.15829	4.5
373.26031	1.2
374.26373	1.1
375.18182	21.6
375.27493	3.4
376.18448	1.4
459.14877	1.6
477.23553	4.0
489.19440	1.3
507.20450	1.2
522.21008	2.3
537.23560	100.0
537.32336	16.3
538.23877	9.9
538.32043	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.1
59.01388	26.4
61.98831	9.3
71.32004	3.7
83.04988	4.7
83.75668	3.5
99.04530	13.9
114.88377	3.9
121.02957	8.2
123.08118	4.8
125.06053	4.9
152.99637	5.5
163.07660	11.4
264.15073	3.8
275.14337	5.6
291.19781	5.1
297.06619	3.7
307.90561	4.7
317.22418	4.7
345.22134	10.8
385.25266	4.6
389.16382	7.4
389.21234	100.0
390.21692	8.0
407.22333	60.7
408.22733	8.7
429.24112	11.0
431.26114	6.7
447.25394	35.5
448.25745	5.4
457.24167	6.8
465.26102	5.3
475.25110	41.5
476.24249	4.1
493.25928	28.3
494.26053	5.7
495.23999	4.3
499.30865	8.9
501.23083	5.1
501.32315	12.1
518.04340	3.9
519.23871	8.3
537.24805	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2552
Annotation	Alangionoside O
Peak:m/z	Relative Intensity
55.01881	1.8
57.03442	4.9
58.00582	4.0
59.01384	82.3
61.98829	2.0
64.70625	1.1
67.72990	1.1
69.03443	1.8
70.02414	0.9
71.01387	70.6
71.30562	1.9
71.48926	1.2
72.99297	3.7
73.02953	12.6
83.01382	3.7
85.02957	16.0
87.00870	8.4
89.02453	100.0
95.01376	2.4
96.96025	2.3
97.02934	2.1
99.00887	13.6
101.02450	45.8
113.02453	15.5
115.04018	1.3
119.03515	11.6
123.08263	1.0
125.02466	7.8
131.03514	36.5
135.04483	2.8
137.02425	1.3
143.03561	2.7
149.04565	64.3
150.04805	1.5
151.04027	1.4
155.09535	1.0
161.04562	6.3
167.10791	2.1
173.04500	1.4
175.73535	1.2
179.03470	1.4
179.05580	3.3
179.07150	1.1
183.10393	1.7
191.05629	25.4
191.07335	1.2
193.05319	1.2
221.06737	2.4
233.06612	3.3
243.15990	5.8
244.37640	1.1
251.07681	3.2
292.37363	1.1
293.08832	6.3
294.09042	1.9
309.11450	1.4
317.16077	9.3
339.12341	1.3
345.15924	5.1
357.13425	2.2
375.14572	1.7
405.21347	14.9
423.34329	1.2
447.13959	2.2
449.20233	1.8
477.19693	2.1
537.18280	2.1
537.25616	54.6
538.25848	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
57.03463	5.2
58.00584	4.4
59.01384	95.7
60.01691	1.0
69.03436	1.4
69.35722	1.4
69.36121	6.4
71.01387	68.7
72.99313	6.3
73.02963	7.4
83.01376	4.4
85.02961	14.1
87.00876	2.9
89.02455	100.0
90.02810	1.2
95.01394	1.2
97.02954	1.3
99.00877	9.9
101.02453	49.9
113.02469	17.2
119.03518	21.5
125.02444	4.4
129.01971	4.8
131.03517	72.1
132.03773	1.5
136.95441	1.1
136.97659	0.9
143.03491	3.5
149.04568	53.0
149.09729	2.3
161.04533	5.4
163.04092	1.2
167.10751	4.8
167.40392	0.9
173.04492	2.9
179.05626	14.8
191.05627	54.2
215.55475	1.0
221.06636	1.8
239.25954	1.1
251.07730	3.1
293.08734	1.4
311.09866	1.2
327.12259	1.2
332.89847	0.9
349.14212	1.1
392.06833	1.1
405.21338	16.3
406.21628	1.1
449.20154	1.2
537.16687	1.8
537.25574	38.3
538.25885	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.9
57.03444	4.9
58.00587	1.6
59.01093	2.8
59.01382	48.6
61.98839	3.4
65.31744	1.1
69.03476	1.2
69.84001	5.4
71.01389	41.9
72.99305	3.4
73.02965	8.5
73.03307	1.7
83.00883	1.0
83.01392	6.4
85.02956	16.5
87.00870	3.7
88.98840	1.5
89.02452	26.8
95.01398	3.2
98.21803	1.5
99.00899	4.5
101.02457	28.5
108.02260	1.5
109.02962	3.2
113.02453	14.0
119.03519	5.2
123.04538	2.4
125.02449	6.3
131.03502	11.4
134.03703	1.4
135.04544	1.3
137.02531	1.4
138.66902	1.3
142.11336	1.2
143.03519	3.5
146.03749	1.2
149.04578	4.8
159.03006	3.3
159.06618	1.7
161.04599	12.7
164.59216	1.2
173.04590	1.3
179.05696	2.7
191.05641	2.2
220.82591	1.2
243.06694	2.9
270.03845	1.4
327.25473	3.6
345.19205	51.3
345.26126	11.5
346.19470	2.2
357.26538	3.4
375.27661	6.3
401.16306	2.4
477.23557	13.9
507.20322	2.7
507.31882	11.9
519.20300	20.2
519.31519	7.2
537.32837	100.0
538.33258	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65036	2.0
52.05927	2.1
55.97616	1.9
57.03456	3.1
58.00594	4.6
59.01383	100.0
60.01703	2.0
69.00398	18.7
69.03442	3.1
71.01386	68.5
72.99321	6.2
73.02952	34.0
83.01413	15.8
85.02956	28.8
87.00887	7.3
89.02448	35.6
95.01419	3.0
97.02968	5.9
98.22527	5.2
99.00902	6.6
101.02451	77.5
103.04008	19.6
113.02451	21.7
115.04036	5.3
119.03517	17.6
125.02427	10.8
131.03520	5.7
143.03548	11.1
145.05066	5.2
159.03079	3.5
161.04594	15.2
163.06139	81.0
164.04820	5.8
165.05551	2.6
167.43924	2.4
175.00296	1.9
197.52847	2.6
203.98744	2.1
205.05359	3.5
205.07149	16.2
235.08220	3.0
247.08322	6.4
254.80394	2.6
265.09332	10.5
272.28207	2.4
302.23148	2.3
307.10263	6.8
325.11066	6.9
330.10074	2.0
331.17596	42.7
332.18048	2.2
344.48199	2.1
452.70764	2.4
477.23407	88.7
478.23819	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.8
58.00590	4.7
59.01099	5.1
59.01381	100.0
61.98833	3.7
69.03439	4.1
71.01386	55.5
71.94773	2.9
72.99291	6.9
73.02953	30.2
81.03429	3.1
83.01379	12.7
85.02950	27.8
87.00883	8.2
87.04520	7.4
89.01952	4.3
89.02451	42.2
95.01380	5.2
97.02955	8.6
98.22589	8.8
99.00868	6.5
101.02451	67.7
103.04002	25.8
108.02186	8.1
109.02961	11.5
109.06612	3.8
113.02472	18.6
115.03993	3.2
119.03514	18.0
121.02995	5.6
123.04528	8.3
123.45700	3.2
125.02477	20.5
127.03981	3.3
131.03514	11.7
133.40138	3.0
134.03722	2.9
135.04500	3.9
143.03479	12.2
145.05147	5.4
149.04611	3.5
161.04561	10.0
163.06137	58.8
169.12363	3.4
177.27097	3.2
199.07614	3.2
205.07130	14.0
243.06619	18.9
265.09256	8.7
269.34946	3.2
305.08466	3.8
307.10184	9.1
311.09213	9.5
321.13379	5.7
326.11569	7.0
331.17685	20.2
341.13889	15.7
350.11850	4.7
357.26230	6.7
375.27353	4.5
401.16147	8.0
441.13803	3.6
473.16135	3.4
477.23511	50.7
504.17831	6.6
507.19971	6.4
519.20306	58.5
520.20837	5.8
537.24402	5.4
537.32617	41.6
538.32739	5.2
552.96503	3.6
554.62445	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.3
57.03452	9.2
58.00603	4.4
59.01383	97.1
61.98836	1.3
68.76337	0.8
69.03449	1.3
69.39347	7.0
71.01386	76.6
72.99307	4.3
73.02950	9.5
75.00893	1.1
81.03457	1.3
83.01383	5.2
85.02957	16.5
87.00876	5.6
89.02453	100.0
92.90947	1.0
93.03461	0.9
95.01388	2.6
96.96025	1.5
97.02958	3.0
98.22497	1.8
99.00887	7.2
99.04536	1.3
101.02453	50.4
109.02972	6.7
113.02450	19.9
114.60252	1.0
119.03505	21.2
119.04897	1.0
121.02962	1.3
123.04476	1.5
123.08190	1.5
125.02456	9.3
125.06097	1.3
129.01904	2.3
131.03513	60.1
132.03838	1.2
136.01683	3.7
137.02443	1.5
143.03523	4.4
146.03690	1.5
149.04570	53.8
149.09731	1.9
150.04922	1.0
151.04022	3.4
153.01993	1.3
153.09282	1.1
161.04561	7.4
164.27962	1.0
167.10753	6.2
173.04524	2.1
175.04037	2.0
176.04755	1.1
179.05630	8.2
181.12408	1.8
189.05510	1.5
191.05623	48.6
207.13988	1.2
220.43529	1.1
221.06697	2.2
233.06647	2.8
243.16006	23.4
246.83481	1.1
251.07706	4.4
267.06625	14.3
267.74268	1.0
268.07022	1.1
279.06564	1.8
282.08966	11.2
293.08850	4.2
294.09143	1.8
297.08441	1.2
297.11362	26.7
298.11517	1.7
312.10065	4.2
327.12341	20.1
328.12918	1.1
339.12595	1.0
345.13345	12.8
357.13541	3.0
375.14529	12.6
376.14810	1.3
405.21301	85.6
406.21844	4.9
477.19568	1.3
537.18372	2.0
537.25610	39.4
538.26129	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	7.8
57.11768	2.2
59.01369	12.6
61.98820	5.0
69.03457	10.6
69.13688	16.3
71.01383	8.2
73.02966	4.8
75.00886	4.4
83.05042	2.7
83.10626	2.2
85.02962	80.1
86.03297	2.8
87.00895	3.7
87.04594	2.7
89.02442	2.9
93.03469	8.8
93.07098	5.1
95.05043	4.5
97.02962	42.6
97.06612	8.7
97.50584	2.4
98.22164	12.0
99.04524	5.5
101.02435	2.8
107.05038	8.4
109.02979	3.1
109.06618	3.0
111.04530	4.9
113.02455	3.6
121.06593	3.2
123.04504	2.5
125.02515	3.5
125.06088	31.0
127.04063	2.9
133.06683	3.7
135.04520	2.9
137.06100	44.0
138.94926	2.2
139.07617	2.8
143.07162	10.6
147.11794	2.5
151.07674	6.3
152.04367	2.8
162.06769	2.5
165.09248	3.0
167.03555	2.3
173.04561	2.9
191.05655	41.8
192.06004	8.6
207.10292	8.8
209.11855	9.0
239.91124	2.2
261.15033	5.5
277.14453	4.3
283.13474	5.7
284.13422	2.5
301.14474	3.1
332.44507	2.5
353.14233	2.8
374.16934	3.3
375.17679	6.8
415.66293	3.9
425.19702	3.1
439.23401	67.0
440.23657	6.3
443.20477	3.4
489.18338	2.4
493.28214	6.3
511.72275	3.9
519.26013	100.0
520.26477	10.1
520.72723	13.0
537.25830	3.3
537.32904	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56377	1.6
59.01385	100.0
98.05479	1.7
98.22573	2.6
108.23975	1.7
133.47415	1.6
161.55841	2.0
176.07051	1.7
188.65102	1.8
191.26495	1.6
195.48251	1.8
277.21802	2.0
333.12259	1.9
333.53906	2.0
361.16757	1.9
369.91550	1.8
433.27417	2.3
477.26382	23.3
478.27133	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69352	1.1
55.01891	2.1
57.03437	4.5
57.21634	1.1
58.00588	1.7
59.01382	41.4
60.34623	1.0
61.98825	4.9
69.03230	4.8
69.03648	3.7
71.01388	31.1
72.99306	3.4
73.02950	8.9
75.00889	1.2
83.01405	6.0
83.05035	1.4
85.02960	11.1
86.00095	1.1
87.00879	2.2
87.04513	1.0
89.02455	17.1
95.01435	1.2
99.00903	3.6
101.02446	20.4
112.31637	1.2
113.02463	11.1
119.03508	3.3
121.02969	1.4
125.02453	4.1
125.96433	1.0
131.03551	7.4
135.04466	1.5
143.03551	1.2
149.04543	5.1
153.01964	1.7
159.03004	2.0
161.02641	1.1
161.04556	7.2
164.04832	1.2
168.68301	1.0
173.09746	1.3
179.03525	1.8
179.05737	1.6
179.07312	1.4
191.05576	3.1
243.06702	2.6
285.39664	1.3
289.07376	1.5
301.11197	1.2
327.25412	3.2
344.41504	1.1
345.19208	28.0
345.26263	12.5
346.19855	2.0
357.26334	5.1
375.27628	12.9
376.28009	1.3
405.25046	1.5
477.23508	15.0
478.23749	1.4
483.33319	1.5
493.24847	1.8
507.31680	10.6
519.20380	3.5
519.31732	5.6
537.32758	100.0
538.33142	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3287
Annotation	Virenamide A
Peak:m/z	Relative Intensity
50.40369	0.3
53.03666	0.4
55.01883	0.7
56.20893	0.4
57.03453	1.6
58.00595	0.9
59.01094	0.6
59.01386	10.9
69.03448	0.5
69.31555	2.5
69.31953	0.7
71.01385	6.2
72.99322	1.1
73.02956	2.0
83.01395	1.1
85.02956	2.5
87.00883	0.5
87.04495	0.4
89.02455	3.8
95.01427	0.4
98.22653	0.6
99.00894	0.6
99.01663	0.3
101.02464	3.9
110.92393	0.3
111.36588	0.4
112.74882	0.3
113.02482	2.1
114.99346	0.3
119.03498	0.8
123.08221	0.7
125.09761	0.7
127.11316	0.5
137.09714	1.1
143.10776	0.8
153.12964	0.5
155.10774	4.2
155.58339	0.4
157.12352	0.6
171.10301	1.4
185.11905	0.4
190.04210	0.3
201.11334	0.9
215.66495	0.4
220.22969	0.3
231.41263	0.4
236.36633	0.4
243.06532	0.5
250.22485	0.4
311.22379	0.5
327.21924	0.4
329.23438	1.0
339.25385	1.9
341.45724	0.4
357.26489	14.9
358.26807	1.0
373.26044	1.1
375.27524	35.7
376.27896	3.0
389.29584	0.4
449.27856	0.4
519.31927	0.8
537.32849	100.0
538.33203	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40968	0.5
55.01879	0.6
57.03442	2.8
58.00601	0.6
59.01384	14.2
61.98839	0.7
63.05676	0.4
68.99554	1.2
69.03454	0.5
69.12264	3.3
69.12666	1.0
71.01392	10.1
72.99315	0.8
73.02955	3.7
81.53760	0.5
81.64716	0.4
83.01398	1.8
83.99128	0.5
85.02973	4.2
87.00874	1.2
88.98814	1.5
89.02453	6.1
93.03485	0.5
95.01405	1.0
95.05063	0.6
99.00877	1.0
101.02446	6.9
108.02174	0.7
112.98579	0.8
113.02476	3.2
119.03543	1.2
121.02954	1.7
123.00906	0.5
123.04505	0.7
125.02460	1.3
125.09737	1.1
131.03503	1.3
135.04527	0.6
143.10786	0.9
147.04558	0.9
149.02461	6.1
149.04640	0.6
149.06049	1.0
150.03195	1.0
151.04002	1.0
152.01202	0.6
155.10802	1.8
161.04549	2.0
161.05882	0.4
164.04811	1.9
164.07159	2.0
171.10300	2.7
195.06602	0.8
243.06642	3.4
251.20154	0.8
283.09692	0.7
293.21204	0.6
297.11523	0.5
311.08710	0.6
311.22305	0.8
327.12402	0.9
327.25430	0.6
328.13223	1.6
329.23352	1.0
339.25403	2.0
341.10144	0.8
343.15619	1.0
345.19141	5.9
357.26498	16.6
358.26825	1.2
373.25864	1.3
375.27521	26.4
376.28049	2.3
391.64301	0.5
463.18176	0.5
477.23553	2.1
477.29886	0.7
490.19040	1.0
494.17627	0.5
507.20319	3.8
508.20868	0.6
519.31476	1.0
520.20209	0.8
537.32831	100.0
538.21259	2.3
538.33173	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23669	0.6
61.98829	4.5
66.03828	0.5
69.74766	1.6
78.95908	18.8
85.38374	0.6
93.40421	0.6
95.21134	0.6
98.21935	1.0
114.80848	0.6
129.11656	0.6
152.99585	3.4
168.04291	2.7
224.06941	7.1
242.07979	2.2
255.23297	100.0
256.23651	5.4
291.48624	0.6
452.27777	2.9
480.30969	58.6
481.31177	4.8
537.25903	1.7
537.33246	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66990	5.8
54.30926	7.5
59.01379	100.0
61.98822	26.7
69.06222	31.2
69.06640	39.4
71.01361	19.6
77.81912	7.4
79.34570	6.2
79.59947	6.9
85.02945	7.6
93.03453	9.2
97.40800	6.3
101.02459	10.1
111.04547	7.9
113.02487	6.9
154.08908	6.8
161.04538	7.8
181.49403	7.1
205.42746	6.9
348.55084	8.5
407.26089	10.2
407.35931	7.2
451.24893	8.8
478.28705	11.9
495.23730	44.0
530.13971	9.0
539.22174	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37428	16.1
54.29258	18.2
54.87246	18.1
59.55758	19.1
69.03718	92.1
69.04134	59.9
71.10401	18.3
98.21794	40.5
99.42942	18.1
102.09718	15.6
120.08267	19.0
168.61208	20.2
209.74110	18.5
352.83313	19.6
495.27295	63.4
501.32327	38.7
502.32550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55618	10.4
59.01368	15.0
61.98818	18.8
69.01563	100.0
87.61925	9.9
97.21801	10.4
98.22539	20.9
98.41225	10.4
100.58620	10.6
134.74823	10.4
146.41991	10.1
187.09813	14.1
366.75391	12.0
382.84927	11.7
458.18649	12.3
477.26437	24.9
495.27374	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10451	58.8
69.10874	18.8
72.23376	9.6
79.63663	8.8
123.28361	8.8
126.54364	9.7
139.07703	15.2
156.18750	11.5
162.83940	100.0
208.40405	9.9
495.27701	27.8
502.32428	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	100.0
59.13616	18.7
61.98832	49.3
63.36606	20.0
69.26710	50.1
69.27134	85.0
78.95913	33.4
115.09774	20.5
152.99565	30.1
209.11807	52.8
234.41733	24.9
352.19501	22.0
397.78964	24.8
495.27478	77.1
503.26535	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19962	10.0
54.40252	11.5
57.66433	9.6
69.05340	100.0
76.36663	10.0
78.33501	13.6
92.38039	10.8
93.78382	9.0
99.33459	11.3
124.61559	11.4
198.74124	10.9
204.19139	10.5
539.30103	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
61.18586	13.7
61.98827	35.4
65.86766	10.7
67.05482	10.3
71.29170	13.1
86.48932	10.7
95.74927	11.1
150.23093	10.6
277.46960	13.8
453.26566	16.3
456.31845	12.4
495.27518	100.0
502.32678	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31598	5.9
58.89122	5.6
69.04314	53.5
98.22525	14.6
138.06834	7.4
142.42218	5.8
154.89026	5.3
164.85490	6.1
168.10237	7.4
171.18718	6.1
203.65923	6.4
233.27245	5.2
238.23094	5.9
389.28482	7.0
422.12473	6.2
430.01431	5.8
433.28070	7.5
477.26431	100.0
478.26974	9.4
495.27747	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34808	36.9
57.81760	41.7
59.01356	44.5
61.98831	100.0
67.59833	43.8
71.29675	43.9
99.02988	36.1
104.57751	46.7
115.12324	38.2
132.60364	42.3
206.54439	47.2
320.09042	41.4
459.69141	50.1
539.26953	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29620	3.1
51.77210	2.7
54.22752	2.7
59.01092	5.4
59.01383	100.0
61.98836	3.8
69.69747	2.9
71.30499	3.4
77.98266	2.9
81.16013	3.4
191.05603	5.5
437.22375	3.1
539.25897	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07010	100.0
85.72767	11.1
98.10093	10.9
117.41755	10.2
131.18832	11.2
139.07640	62.4
192.82767	10.8
212.01305	10.6
243.80176	10.6
261.74991	10.2
287.02979	11.1
360.15076	10.5
495.27472	65.5
496.28265	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99540	26.1
59.01397	71.2
59.96019	28.8
60.96091	23.0
61.98835	100.0
69.35541	25.0
71.30350	36.7
74.79936	26.7
78.95930	37.0
135.45164	30.9
167.44589	27.4
282.03729	29.5
327.19608	26.4
435.68060	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50173	10.0
53.43615	8.5
59.01366	24.5
69.00972	100.0
71.75646	9.1
84.99294	9.1
86.88609	9.1
90.31821	8.9
99.67316	8.6
137.52550	9.3
182.57448	9.3
210.99236	8.4
477.26382	16.7
495.27563	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21807	22.2
59.19789	24.7
61.98827	78.9
62.12424	22.7
65.63857	20.9
79.46522	20.7
111.05253	21.3
152.99628	23.9
207.48509	22.7
381.00101	29.9
417.15433	24.7
492.24448	46.0
538.28046	100.0
539.26776	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	100.0
61.98840	54.1
87.49268	54.0
94.93448	62.2
103.67477	49.0
150.75069	54.9
213.88660	59.9
217.11125	64.6
370.40891	56.5
411.92697	63.1
457.05496	74.2
528.71497	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.9
59.01382	100.0
60.01708	7.1
61.98833	32.3
69.20782	29.0
71.01374	15.3
73.02953	8.7
73.08974	3.5
83.05029	4.7
83.78648	3.1
85.02945	7.7
87.00894	3.4
89.02444	10.0
97.06576	4.5
98.21820	7.9
99.00901	5.0
99.04518	4.2
101.02441	13.0
109.06619	4.4
111.00919	11.1
113.02442	8.3
123.04500	4.4
123.08120	4.5
135.04573	5.0
137.06081	10.0
139.07619	10.1
151.07593	4.3
161.04556	11.5
451.24887	16.2
478.28922	11.3
495.23703	48.0
495.29947	6.5
496.23721	3.7
538.21112	5.5
538.30328	5.6
539.28406	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	54.6
61.98828	100.0
71.01405	51.7
75.48738	26.1
88.85938	27.0
97.06628	25.7
98.21849	85.1
98.22539	56.2
101.02449	25.9
113.02469	38.5
135.68677	28.3
152.37851	21.7
495.29886	78.0
508.71414	31.0
538.28546	88.1
539.19037	31.2
539.29163	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	4.8
59.01377	19.0
61.98836	42.4
70.94523	4.7
71.01393	24.2
73.02934	14.1
75.00867	4.6
76.61700	3.3
78.61159	2.7
83.01382	3.4
85.02961	17.6
87.00890	6.2
89.02447	10.0
91.01904	20.4
92.02251	4.9
93.21375	3.2
95.01434	4.4
98.61409	3.5
101.02454	22.3
107.05033	2.8
108.02174	27.4
109.03069	6.4
113.02451	9.1
119.03503	3.9
123.00885	8.0
123.04572	3.2
125.02479	4.2
127.53021	3.6
132.05803	2.8
133.06625	3.8
135.00894	20.1
135.04536	6.3
136.01256	8.7
137.02484	9.9
137.04012	2.8
137.06129	3.6
140.27118	2.8
147.08295	3.2
147.71034	2.7
152.01152	26.6
152.57524	2.9
153.01570	8.7
159.02953	5.7
161.04590	21.6
171.10234	3.3
179.05565	3.7
180.07953	4.5
181.08351	3.5
189.26550	3.2
190.49429	3.2
198.06447	3.7
223.09795	12.1
224.10049	5.5
243.04454	2.1
243.06610	90.8
244.06981	100.0
245.07184	3.6
281.11893	2.9
294.08795	3.6
306.08252	3.4
309.11075	4.6
333.24506	15.8
334.64102	3.3
371.14597	3.1
406.86243	3.4
460.14804	8.4
463.16913	3.7
477.28900	3.3
478.19638	21.5
490.19781	18.5
495.29639	62.2
496.30518	4.3
502.19720	5.1
520.20917	15.0
538.16644	9.6
538.33630	5.5
539.21838	14.5
539.29272	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	9.7
59.01396	18.6
61.98829	100.0
69.03664	93.7
71.01383	21.7
73.02971	9.1
81.72207	8.8
89.02468	17.1
91.62711	9.0
97.06609	12.6
125.02479	12.9
151.67128	9.0
151.68311	11.1
272.18649	11.3
344.85068	9.3
538.27588	27.0
539.21387	14.4
539.28741	48.5
544.70013	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	28.3
61.98843	12.3
62.09345	10.7
69.05155	100.0
71.01370	19.7
85.02969	12.6
88.98792	10.9
146.06320	9.8
161.04532	9.3
185.66328	9.9
295.29321	9.0
346.62659	10.7
444.90231	8.7
495.29642	10.9
509.21808	18.8
521.21063	13.3
528.84235	9.2
534.02264	10.0
562.90228	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.315
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18998	0.7
61.98834	100.0
66.10844	0.8
69.61671	0.8
69.94534	2.7
69.94912	1.0
75.59263	0.9
121.10479	0.8
142.97388	0.8
173.80136	0.8
178.70930	0.8
280.98096	0.9
381.38098	0.9
442.22479	1.0
453.33942	4.9
454.34128	1.4
538.31506	44.2
539.31818	5.3
550.28784	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.2
60.99314	16.1
61.98830	1.8
68.90965	1.0
71.01381	2.8
75.00867	2.7
88.98814	100.0
89.02409	1.1
96.96028	1.1
99.09838	1.0
101.02467	1.5
101.06091	1.0
125.02434	1.6
135.04503	3.4
161.02505	6.7
164.04800	1.3
174.68887	0.9
179.03566	1.6
179.07014	1.1
194.92790	1.5
206.37480	1.0
223.53584	1.0
285.93115	1.4
323.07736	1.6
362.64954	1.0
377.02518	1.3
391.03308	1.1
403.18173	1.0
449.10864	5.8
509.19125	1.3
539.09290	1.5
560.12433	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78366	1.7
59.01385	42.0
61.66916	1.7
69.03477	2.1
69.66029	7.4
69.66440	3.5
71.01383	34.3
73.02959	3.9
83.01377	1.8
85.02953	6.4
87.00877	11.7
89.02444	49.4
89.02963	3.1
93.03477	4.7
95.01395	3.5
97.02909	2.0
101.02448	27.4
113.02456	14.4
119.03551	9.5
123.00867	2.6
131.03534	1.8
135.49158	2.0
138.03264	3.7
143.03488	4.1
153.09225	4.3
161.04575	10.5
173.04556	7.7
179.05620	46.7
179.07191	2.4
182.02225	4.1
197.04520	11.7
197.08258	6.2
221.06638	23.7
222.07147	2.4
281.08765	4.3
323.09787	6.6
341.10999	8.8
365.07971	1.9
377.08578	17.9
377.14334	6.8
503.16220	100.0
504.16702	9.2
510.22412	1.9
539.13879	52.4
540.13928	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	30.2
62.82321	2.1
68.99924	20.9
71.01387	25.3
78.95899	18.5
81.50893	2.2
83.01408	2.5
85.02951	7.0
87.00887	10.0
89.01903	2.4
89.02453	47.7
94.26525	1.9
96.96000	2.6
101.02458	21.8
113.02468	12.6
119.03535	4.8
119.59012	2.3
119.97062	2.3
131.03564	3.5
134.04619	2.2
143.03514	4.5
149.04477	2.8
158.92529	4.0
161.04587	5.9
166.27678	2.1
179.05614	54.8
199.83847	2.2
219.60258	2.0
221.06671	27.9
281.08636	3.2
309.28259	2.1
323.09702	3.4
341.10941	6.7
377.08682	16.1
503.16235	100.0
504.16470	8.2
539.13934	43.9
540.06244	2.9
540.14325	4.8
556.65161	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	33.6
63.10194	1.3
69.03490	1.7
69.03667	2.2
69.04070	10.3
71.01389	27.4
73.02946	2.9
85.02962	4.4
87.00893	8.8
89.02453	39.8
95.01401	1.5
97.02988	1.3
97.70252	1.3
98.22543	2.8
101.02453	19.9
108.11076	1.2
113.02464	12.9
119.03504	6.4
125.02509	2.2
131.03543	2.9
143.03499	5.5
149.04565	1.3
155.28792	1.2
161.04556	8.5
161.08481	1.3
179.05620	49.1
180.05856	1.5
192.10506	1.2
221.06697	24.8
222.56833	1.4
224.12137	1.3
229.08855	1.8
281.08691	2.0
323.09961	4.0
341.10870	7.7
377.08548	16.7
383.11993	3.8
503.16232	100.0
504.16180	6.8
539.14001	35.6
540.14319	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79069	0.5
59.01381	7.8
61.47046	0.5
61.98825	1.2
69.32288	0.9
69.32691	3.0
71.01379	2.4
73.02941	1.0
75.00870	2.4
85.02922	0.5
86.00107	0.4
89.02445	2.3
91.05532	5.6
92.50026	0.5
93.03468	1.5
101.02453	1.4
104.58260	0.5
106.93412	0.5
107.05036	15.8
108.02184	0.8
109.02987	2.6
109.06593	1.8
113.02470	0.8
119.03532	1.1
119.05040	2.3
121.02984	3.5
122.03759	1.1
123.00907	0.6
123.04553	1.1
124.01683	0.7
125.02474	1.2
134.03746	6.5
135.04535	100.0
136.04797	3.0
137.06087	9.7
137.07057	0.8
145.02971	3.6
146.03761	2.5
147.04510	0.8
149.02452	2.0
149.04829	0.7
149.06091	5.4
150.03215	5.9
151.04027	2.5
152.04312	0.6
161.06114	1.5
161.37840	0.5
163.07767	0.6
164.04793	1.9
165.05585	7.7
177.05611	0.6
179.07120	2.2
181.05080	21.2
182.05429	0.6
185.11880	1.2
191.05663	0.9
193.05280	0.7
195.06653	10.7
220.63057	0.4
235.06125	7.7
253.07243	1.1
314.11798	0.6
318.04111	0.6
329.10327	11.8
329.13815	0.9
330.10760	1.1
341.10287	3.9
343.10242	2.6
359.11353	9.7
377.12381	17.5
377.17133	1.0
378.12863	1.1
410.75858	0.5
491.15637	1.7
539.17700	3.0
539.24603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.9
58.00596	3.0
59.01384	75.0
60.22549	1.6
61.98814	2.5
63.50538	1.4
71.01386	43.3
72.42346	1.5
72.99295	2.5
73.02950	3.5
85.02966	11.1
87.00866	2.0
88.98807	1.9
89.02456	46.7
93.03442	2.0
95.01406	4.7
97.85969	1.6
99.04549	1.8
101.02448	26.0
113.02451	19.7
114.18302	1.7
119.03510	18.9
119.05030	2.1
131.03491	4.3
135.04472	1.9
135.08176	4.6
143.03508	3.8
145.58205	1.8
149.04535	2.7
151.07559	1.9
153.09239	58.7
154.06635	1.6
161.04584	5.6
179.05621	9.6
179.07083	3.1
191.05620	4.6
197.08214	100.0
215.09268	3.0
229.23180	2.6
236.78397	1.6
239.09242	2.7
275.37912	1.6
310.83923	1.9
347.17078	2.5
351.87073	2.0
359.13449	15.1
375.14371	1.8
377.14600	89.6
378.14847	4.0
526.66724	1.9
539.19965	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	5.5
59.01384	100.0
68.23699	1.1
69.59071	6.3
71.01388	66.9
72.99294	3.4
73.02954	1.4
74.38318	1.2
75.00864	1.3
83.01407	2.2
85.02951	9.9
85.67210	1.1
87.00876	4.5
89.02452	92.8
95.01388	3.8
101.02453	28.0
113.02455	26.5
113.03182	2.1
117.03504	1.6
119.03506	35.4
121.02973	3.4
122.03734	1.9
123.04492	1.0
131.03503	4.5
135.04506	1.1
142.13632	1.0
143.03510	4.9
145.02972	3.8
149.02475	3.3
149.04565	2.9
150.03252	12.9
161.02512	2.0
161.04607	6.8
162.03264	11.0
165.05602	8.8
166.06357	8.3
177.05600	6.8
179.05627	15.2
180.04408	1.5
181.08739	2.9
195.06679	6.1
218.63341	1.3
282.35654	1.1
311.46973	1.3
343.14297	1.4
457.65622	1.2
491.19330	11.6
539.21332	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.5
57.03436	1.6
59.01387	14.5
66.87408	0.9
71.01390	12.1
73.01202	0.9
73.02962	4.9
83.01388	2.3
85.02962	8.0
89.02456	1.9
93.03497	1.5
95.01410	1.6
99.00913	2.0
101.02460	11.5
113.02439	3.1
121.02967	4.9
122.03770	3.7
123.04577	1.8
133.02946	5.3
147.04668	1.0
149.02449	22.8
150.02026	1.7
150.03238	33.4
161.04611	1.7
164.04803	6.1
165.05585	27.8
166.06335	4.8
167.07227	1.3
167.34956	1.1
180.04317	1.8
181.08716	5.1
195.06659	11.2
314.11493	5.4
315.12573	1.1
329.13910	12.0
339.99130	1.0
343.13916	13.6
409.68549	1.1
479.24768	2.1
491.19257	100.0
492.19662	10.8
539.21368	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	64.5
60.99299	9.2
61.98841	25.8
67.67733	9.2
69.03260	100.0
69.03587	15.8
71.01388	38.7
73.02956	12.1
75.00859	22.3
75.62060	10.0
77.46220	8.5
84.16000	8.3
85.02976	17.0
88.98818	20.0
89.02451	35.1
98.22555	19.5
99.00911	10.2
101.02465	27.3
113.02429	17.3
114.99875	10.6
135.04543	12.4
149.02443	15.0
155.72766	9.6
161.04568	9.7
164.04787	60.1
179.07104	27.5
191.05629	17.0
223.46964	8.2
268.01541	11.0
331.42978	8.9
351.71738	9.9
468.25873	11.0
492.19928	11.4
493.19623	15.1
495.25864	35.7
509.19351	15.8
539.23138	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94214	10.8
59.01387	57.9
61.98821	31.0
69.14219	100.0
71.01382	43.1
75.00878	26.0
85.02949	24.0
88.98836	23.1
89.02462	33.6
93.88537	11.3
98.21799	24.5
101.02462	23.2
104.19518	11.7
113.02478	16.0
125.02485	24.4
128.40540	11.0
161.04587	13.2
164.04839	28.2
191.05673	12.1
252.35648	11.9
285.96848	11.9
291.10342	12.9
319.37601	12.1
377.29147	50.1
455.42749	11.5
539.22662	94.0
539.35138	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23391	2.6
50.24073	2.8
52.65943	2.5
55.01873	3.7
57.11753	2.8
59.01385	58.4
59.39139	2.5
61.98832	5.4
69.35645	10.4
69.36073	11.4
71.01385	64.2
72.99300	4.8
73.02952	20.4
78.95922	3.2
83.01390	6.5
85.02957	29.4
87.00861	3.4
89.02447	34.9
96.96019	4.1
98.22530	3.3
99.00883	10.1
101.02454	47.6
110.22478	2.7
113.02457	21.4
119.03481	4.4
125.02405	3.4
128.41307	2.9
131.03517	20.2
135.04506	11.9
143.03438	4.4
145.16168	3.0
149.04585	12.0
152.53738	2.7
153.09183	3.8
153.13554	3.0
159.03021	4.7
161.02434	8.3
161.04570	45.8
173.04594	6.9
175.02446	3.5
179.05603	5.7
191.05640	7.7
197.08345	2.8
257.81976	3.2
323.37918	3.1
341.08716	6.9
342.08707	3.3
347.17105	100.0
348.17307	5.1
375.25748	2.9
377.14563	7.1
383.09628	4.6
391.16190	6.4
396.51770	2.5
413.11166	3.2
479.21384	69.4
480.21680	4.5
539.20715	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.8
57.03470	2.6
59.01385	42.8
69.09775	1.8
69.10083	16.6
71.01389	64.2
73.02954	20.6
74.92857	1.7
83.01402	9.1
85.02961	26.2
87.00883	3.4
89.02441	21.7
90.80193	1.9
95.01382	5.5
97.02978	2.8
99.00880	9.5
101.02451	41.1
112.56648	1.7
113.02453	24.4
115.89590	1.9
125.02457	7.3
131.03506	7.7
138.86089	1.7
143.03513	5.5
149.04567	3.5
159.03011	4.3
161.04576	50.8
185.11821	6.0
191.05632	4.2
195.37091	1.8
203.76024	1.5
215.88898	1.8
269.32736	1.9
293.08820	10.7
347.17120	100.0
348.17404	4.2
377.14377	2.2
407.22748	2.1
450.59000	2.0
479.21399	48.2
480.22012	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.5
57.03448	17.8
58.00586	2.7
59.01382	81.2
59.48969	1.8
61.48920	1.9
61.98827	4.8
69.40239	13.4
71.01385	56.9
72.99329	2.9
73.02952	6.6
83.01390	5.9
85.02967	12.3
85.91865	1.7
87.00875	4.0
88.98814	2.8
89.02453	81.1
97.02936	2.5
99.00893	2.5
101.02443	28.1
108.28991	1.9
109.03011	2.4
113.02461	13.4
119.03538	11.9
123.04508	2.2
125.02459	18.2
125.09758	4.2
131.03502	25.0
137.02481	2.5
138.03253	2.6
143.03581	2.5
149.04582	20.5
150.03279	3.2
161.04506	4.5
162.03296	10.9
163.03940	2.5
164.04861	2.9
166.06297	2.9
177.05548	11.2
179.05664	5.8
179.07120	2.7
181.05048	1.9
185.11835	100.0
186.12262	3.3
191.05707	10.2
193.05035	2.4
195.06767	4.0
209.11833	3.0
293.08865	16.4
333.19199	6.2
377.16110	9.3
379.25897	2.1
473.04752	2.5
479.24930	8.5
491.19351	5.0
503.21490	4.9
504.05063	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05867	1.9
58.00584	4.7
59.01384	100.0
60.01722	1.9
60.16091	1.8
61.98820	3.4
67.58813	1.7
69.03439	2.8
69.42137	4.8
69.42550	7.8
71.01391	36.3
72.99326	2.2
73.02954	28.1
75.00863	2.6
83.11406	1.8
85.02940	13.2
87.00903	9.8
87.01328	2.1
87.04517	4.6
88.98818	9.0
89.02452	33.5
93.03465	2.2
96.96004	2.5
97.02971	2.1
98.22540	3.6
99.00933	1.9
101.02457	57.3
103.04029	20.5
112.59669	1.8
113.02493	4.8
115.04031	6.2
119.03505	13.1
125.02473	5.5
131.03543	10.3
135.04504	3.5
143.03555	12.3
145.05115	4.8
149.02486	2.2
149.04579	3.8
151.05119	1.8
161.04575	5.6
163.06142	80.8
164.04800	9.1
164.06219	3.9
179.05705	3.9
179.07210	6.0
185.11842	28.1
191.05606	8.9
205.07191	20.5
245.04483	4.5
265.09363	12.2
345.98367	2.2
347.17191	4.5
397.99014	2.4
478.40857	2.4
479.25333	14.8
495.26413	2.9
539.25262	4.7
567.54163	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2867
Annotation	Phoenistatin
Peak:m/z	Relative Intensity
51.27687	1.7
54.53957	2.1
57.03448	9.4
59.01385	13.0
61.98832	24.0
69.03445	2.1
69.04517	19.2
71.01376	6.4
71.05019	3.2
73.02962	17.9
76.58591	2.0
78.95889	1.8
81.03454	2.3
83.05025	7.0
85.02480	4.1
85.02954	54.1
86.03281	2.1
87.00892	2.7
87.04520	2.7
88.98814	2.5
89.02453	2.5
97.02990	2.2
97.06588	10.6
98.21870	6.6
98.22564	3.4
99.04508	5.8
99.86649	2.1
101.02486	4.5
101.06062	2.0
103.91557	2.0
107.05017	8.7
109.02941	2.9
109.06593	4.1
111.04510	11.9
113.02449	2.5
113.06010	2.3
120.26028	1.9
121.06599	4.8
123.04508	2.0
125.06086	25.5
126.75884	1.9
127.03996	3.0
133.06606	2.4
135.04515	3.4
135.08188	3.7
137.02451	2.3
137.06139	4.7
139.07635	3.1
141.09212	2.7
143.07149	6.9
149.02512	2.1
149.06076	3.7
149.09636	3.5
151.03909	2.1
151.07657	6.7
157.08667	7.5
163.07671	2.6
163.11279	4.1
164.04919	2.5
165.09216	3.3
165.12842	3.5
177.09125	3.2
193.12358	3.0
201.13007	2.1
205.12448	2.6
209.11838	6.9
231.14072	2.3
259.17032	3.0
307.15573	4.6
321.17157	6.5
337.16541	2.3
339.18271	4.9
351.17963	4.2
359.18564	4.7
377.19580	12.1
377.23584	5.0
395.20792	7.8
401.23438	3.7
405.18961	2.5
411.43008	2.9
419.24429	5.7
427.21219	3.9
433.29807	3.1
435.23834	2.6
445.22443	16.1
463.23569	7.0
465.28513	9.5
477.28717	11.4
495.29727	8.5
496.29733	2.5
503.26599	6.7
539.28613	100.0
540.28876	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3018
Annotation	Condurangogenin C
Peak:m/z	Relative Intensity
54.92682	0.5
59.01382	100.0
84.86880	0.6
95.46670	0.5
197.17006	0.5
275.57101	0.5
435.29431	0.9
479.28085	12.3
480.28589	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98829	0.8
62.57980	0.7
70.31258	2.4
73.78139	0.8
415.14026	0.9
423.73996	1.0
460.88608	0.9
479.27948	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.3
61.98852	11.9
67.79992	2.0
69.03456	2.1
69.11413	22.4
70.47237	2.5
71.01392	31.1
76.50158	2.0
78.95951	3.3
81.03510	2.3
83.05054	2.8
85.02970	3.3
87.00885	15.0
89.02455	68.5
98.22457	4.3
109.06643	2.8
126.76315	1.9
136.05304	22.2
137.06082	2.7
139.07651	2.8
147.10146	2.3
148.05359	4.0
149.06140	4.2
150.06952	3.0
152.99660	4.4
159.04510	3.8
160.05412	4.4
162.06911	13.2
163.07637	14.9
164.04822	45.0
165.09271	7.5
173.06152	6.0
174.06903	6.4
175.07652	38.2
175.09039	2.8
176.08406	5.2
177.09261	5.4
193.08765	3.1
210.78296	2.0
211.13489	3.0
309.66544	2.1
311.22485	7.0
345.22833	42.8
346.23425	4.5
390.67279	2.3
413.27023	5.0
414.27686	4.7
416.37192	2.6
421.30078	4.6
432.29184	2.4
442.34921	2.3
449.28992	32.6
450.29907	6.2
491.30731	3.5
503.30154	43.8
504.30380	4.7
509.31271	25.2
510.31885	3.8
521.31256	45.0
521.38617	2.8
522.31598	5.5
539.32684	100.0
540.32574	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.3
59.96700	0.7
61.60601	0.6
69.16761	5.0
70.42870	0.6
71.01372	2.1
72.00908	12.8
78.95895	2.4
82.86813	0.6
83.74256	0.6
85.02926	0.7
87.00912	0.7
88.98815	2.5
98.21841	1.5
101.02441	1.5
103.05497	0.8
111.33831	0.6
113.02449	1.3
121.02967	1.5
147.04535	44.4
148.04893	0.8
149.02434	8.4
150.03247	17.2
158.92606	1.2
161.02489	1.5
161.04533	1.1
162.03250	1.1
164.04828	5.6
164.07173	100.0
165.05576	37.5
165.07443	2.0
166.05957	1.3
180.04320	1.1
191.05594	0.8
195.06650	13.3
199.99545	0.6
207.17865	0.7
210.26332	0.7
232.07011	0.7
235.96242	0.9
327.10876	11.4
378.09848	0.7
464.66904	0.7
522.49854	0.7
540.14032	0.9
541.15521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.26
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51616	34.9
59.44057	36.7
70.51045	70.4
70.51404	100.0
88.35656	34.3
98.22493	48.0
101.61163	48.0
145.38567	38.9
449.20416	47.7
452.28769	60.2
528.56635	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62436	5.6
59.01379	66.3
59.37751	4.4
60.01713	11.0
61.01797	8.3
61.98832	100.0
69.73064	4.3
71.31763	7.8
85.18774	4.7
90.83041	5.2
99.04504	6.1
281.12726	4.8
470.54776	5.3
472.87799	5.0
561.06787	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37611	3.5
52.22582	3.4
55.53212	3.4
61.20309	3.4
61.63114	3.2
61.98823	11.3
71.31985	6.0
83.05022	4.8
96.96098	4.0
97.02929	3.5
98.68810	3.5
101.02414	3.6
111.08169	27.0
111.68443	3.4
123.08198	3.5
125.02435	4.7
145.02715	3.3
193.49445	3.4
301.01352	3.3
341.17456	4.5
497.25500	100.0
498.25693	8.9
540.28516	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42279	2.6
59.01091	5.6
59.01385	88.3
61.98837	100.0
71.21530	7.5
73.11815	2.9
108.47919	3.0
150.80702	3.0
171.91838	3.0
278.93988	3.8
287.86725	3.1
431.74402	3.4
480.28687	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69425	0.4
58.05891	0.4
58.54576	0.4
59.01384	3.0
60.01725	0.6
61.01811	0.4
61.98835	100.0
72.99314	1.3
73.02961	0.7
97.02984	0.4
98.21964	2.1
101.02512	0.6
121.06626	0.5
137.06105	0.6
161.09824	0.6
229.30748	0.5
365.14206	1.1
377.17548	0.5
439.18048	0.7
467.17590	1.5
479.21133	0.7
480.30151	0.5
497.22287	1.1
541.20844	9.3
541.28845	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.6
59.01381	17.0
61.98833	53.3
69.03455	3.9
70.30106	8.9
70.30454	2.4
71.01389	18.6
73.02943	5.4
78.91901	12.6
83.05028	8.7
84.00919	5.6
85.02956	5.0
87.00880	7.7
87.04533	3.7
89.02447	15.9
93.03493	3.1
95.05022	3.6
97.02979	7.3
97.06608	3.4
101.02450	7.5
109.02939	3.0
109.06603	5.6
113.02457	12.5
119.03510	9.6
121.06605	4.4
123.08163	3.5
125.02473	9.8
135.00861	3.9
135.06685	2.8
135.08148	5.1
136.05383	3.5
137.02487	4.9
137.06094	6.5
137.09708	3.3
139.07651	8.2
143.03496	3.0
148.91187	3.0
149.06030	3.3
151.07628	5.4
152.01172	4.3
161.04579	5.3
179.05644	5.1
204.05043	4.2
222.62006	3.0
243.06560	3.6
244.06998	5.9
247.13492	4.1
261.18564	5.6
263.20053	19.7
295.19183	3.8
307.19293	3.2
335.22308	100.0
336.22684	5.7
410.20584	3.5
496.30017	3.5
497.31149	8.5
540.21796	4.5
540.28986	14.4
541.23822	9.2
541.31012	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	1.5
69.13405	2.3
69.13808	8.5
71.05034	1.3
81.03484	1.2
97.02962	1.9
98.03723	1.7
98.15071	1.1
98.22554	2.8
99.04528	4.6
109.10236	2.4
138.06837	3.1
154.12706	1.1
210.85178	1.3
271.20804	1.5
284.02493	1.3
299.20230	12.6
343.19128	5.8
435.28903	8.7
453.30136	100.0
454.30432	9.9
497.29205	37.3
497.36603	1.5
498.29504	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
63.97407	22.3
81.64439	20.1
95.35299	21.0
98.22562	43.1
101.23416	18.6
282.96964	20.9
497.28818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51657	30.7
59.01375	73.5
61.98825	100.0
68.02527	27.5
71.30644	30.1
77.92404	24.5
78.95885	63.2
113.15873	25.5
115.25797	26.5
117.88834	28.6
152.99564	26.9
221.90352	28.4
233.34007	28.7
307.01712	28.9
541.23309	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75232	3.5
61.98890	4.0
63.49429	3.8
78.95901	5.3
82.11993	3.9
93.49685	4.1
98.21794	9.4
99.01900	4.4
139.98477	4.6
152.99579	6.6
162.88670	4.1
189.11302	4.5
190.98676	3.6
299.20197	15.9
453.29926	35.4
497.29123	100.0
498.29285	10.9
540.23590	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16864	30.1
62.84365	31.2
64.47268	28.0
69.66637	100.0
69.67039	70.3
72.14260	30.4
75.04665	30.3
111.88296	30.4
129.65367	33.5
200.93285	29.2
214.00032	30.6
232.70935	33.1
249.06068	40.7
361.23425	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16705	10.8
59.01386	65.8
61.98840	100.0
71.32455	23.4
81.11864	11.7
97.02953	21.8
114.40810	12.3
154.47716	14.0
302.68106	12.4
451.24869	18.1
477.26944	13.6
497.28818	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55547	8.1
53.33548	8.4
55.08948	10.2
60.03231	8.8
61.98825	10.3
69.03039	100.0
70.92109	9.7
73.58401	8.1
82.94882	10.7
86.18661	9.6
114.66438	9.6
208.04404	8.4
247.64104	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
70.32671	34.1
70.32999	29.6
78.76962	17.2
96.57495	17.4
96.81092	17.1
111.70663	19.2
133.47743	19.7
151.58994	18.3
164.83623	100.0
175.48489	17.9
183.50392	20.1
328.72812	18.1
329.21732	20.0
496.28354	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	9.9
61.98828	9.0
69.14292	8.3
69.14718	9.3
75.82008	2.6
78.95912	18.8
83.62424	2.3
98.22671	4.3
134.15695	2.3
152.99626	5.2
157.04626	2.2
224.06938	7.9
255.23297	100.0
256.23639	4.9
480.31006	65.2
481.31052	3.7
541.27686	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79144	15.9
56.77986	17.8
57.03447	21.4
59.01370	82.7
59.13955	14.8
61.98834	43.3
63.51527	15.6
69.20287	57.1
69.20712	100.0
71.01370	37.7
71.23546	15.8
73.02944	28.5
75.00874	60.5
76.35198	14.8
78.15741	14.7
85.02952	28.8
89.02496	16.5
99.04536	26.5
101.02445	32.4
111.00915	20.9
113.02459	60.5
115.00365	50.9
117.01943	31.3
125.02463	40.0
135.04718	20.9
137.06161	15.8
151.07654	25.3
162.28813	18.7
229.76443	16.3
319.19272	20.1
323.05505	19.2
333.78024	18.1
360.62219	17.2
365.21210	28.9
394.89438	19.4
508.01846	18.8
524.83875	19.0
541.23834	32.9
541.31012	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40547	0.8
59.01378	1.6
60.99310	14.9
71.01377	1.1
73.76208	0.6
88.79292	0.7
88.98812	100.0
89.02431	1.2
92.43688	0.7
101.02448	0.8
123.04523	1.4
165.05615	0.9
176.65053	0.7
204.75160	0.7
239.61147	0.7
241.07193	1.3
327.17441	0.7
349.18533	2.0
378.02182	0.9
481.22922	0.8
492.36887	0.7
553.08777	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99312	15.0
65.79868	0.6
69.46632	3.1
88.98814	100.0
147.75592	0.6
289.07227	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
59.01373	1.7
65.03971	0.9
67.01910	0.6
69.03431	0.7
69.38475	3.9
71.01378	2.8
73.02949	2.6
76.58371	0.6
78.95895	0.8
81.03463	1.0
83.05026	1.5
84.81908	0.6
85.02953	2.2
87.00902	1.1
89.02435	1.4
93.03474	13.5
96.95992	0.6
99.00885	1.3
99.04520	0.9
101.02451	1.3
108.02146	0.9
109.02948	3.2
111.04542	4.3
112.56602	0.5
113.02486	0.6
117.80737	0.6
121.02946	0.7
122.03732	1.7
123.04527	2.1
125.06072	0.9
129.01994	0.8
134.03743	11.4
135.04550	1.6
137.02501	3.4
147.04480	0.8
148.05325	1.2
149.06079	2.2
155.03526	2.7
155.10802	0.7
157.10992	0.5
161.06073	1.5
163.03963	0.7
164.07179	1.1
165.05508	0.5
173.04576	9.5
173.06070	1.0
175.07605	0.7
176.04707	0.9
178.02818	1.4
185.06110	1.2
186.06883	0.7
187.07596	0.9
191.05632	10.0
191.07137	0.6
193.05045	6.4
193.06580	1.0
199.07661	1.7
199.09659	0.9
204.07912	2.0
210.06821	1.4
217.08673	0.8
227.07132	1.6
228.07964	4.3
243.10262	1.6
245.08321	0.7
246.09064	0.9
263.09341	1.4
323.11392	6.7
349.09375	2.8
349.18814	0.9
367.10355	100.0
368.10626	6.4
379.15765	0.9
503.16278	0.7
541.15637	10.8
542.15918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12608	11.2
56.28047	13.8
59.01365	28.5
61.44992	9.8
61.98831	26.7
69.01174	100.0
69.01574	24.8
69.44714	11.4
71.01398	22.3
85.31408	11.9
88.89204	11.4
89.02451	15.3
98.32517	11.1
101.02382	13.1
103.74765	11.8
111.13312	13.0
122.93042	12.3
131.03503	12.8
144.02718	13.5
175.51358	11.7
183.05090	12.3
220.50021	10.6
244.54129	13.5
247.13297	16.9
409.18823	16.4
515.06696	12.9
541.23035	39.3
543.04114	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.6
59.01381	13.3
61.98828	6.4
68.74363	1.9
69.03459	9.8
71.01381	7.2
71.31863	2.0
71.32219	1.5
73.02953	3.8
79.05545	2.4
83.01384	1.7
83.05027	4.4
85.02962	4.9
87.00885	1.9
89.02470	4.1
97.02939	2.6
97.06599	3.9
99.04535	5.4
101.02452	3.8
103.01521	2.0
108.02194	2.4
109.02967	2.0
109.06641	3.3
111.04519	3.7
112.01649	3.1
113.02473	23.8
121.02933	3.9
121.06545	1.7
122.03786	2.7
123.04522	3.8
125.02461	13.8
125.06118	2.4
131.03551	3.9
135.08192	2.7
137.02443	2.3
137.06107	5.3
139.07689	1.8
140.01163	11.3
149.06110	2.0
151.07643	6.0
161.04666	2.1
183.86909	1.8
191.07130	2.1
203.14507	2.6
231.99010	1.6
237.04155	2.1
240.53647	1.8
247.13429	5.1
253.08812	1.6
264.15863	1.8
279.14853	1.8
317.21259	5.5
322.58252	1.6
328.13162	14.0
343.15533	100.0
344.15924	6.2
349.22263	1.8
365.21252	5.6
379.21365	5.6
409.20264	6.8
413.19882	1.8
417.24048	2.0
427.21216	6.9
435.25687	2.2
479.25247	4.7
497.25766	5.8
497.31943	2.7
511.23373	3.0
523.23010	5.1
541.23401	23.8
541.31689	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2082
Annotation	Physalin II
Peak:m/z	Relative Intensity
55.01895	2.4
57.03455	10.4
57.97285	1.8
59.01385	14.5
61.98827	7.1
63.75904	1.8
69.03448	3.1
71.01379	7.6
71.05022	6.4
71.31734	3.5
72.99301	4.2
73.02949	20.4
75.00876	2.2
83.05005	3.0
85.02966	4.4
87.00877	7.8
87.04530	5.8
89.02473	2.5
93.03472	4.0
95.05051	8.5
97.02979	7.6
97.06577	2.2
99.04524	13.1
101.02452	6.4
102.05147	2.1
107.05056	5.0
109.06585	7.7
111.04570	2.3
113.02433	2.7
121.06619	6.9
122.03763	4.9
123.04539	4.2
125.02428	3.5
125.06081	3.8
135.04535	2.8
135.08145	2.2
136.08994	1.8
137.02448	2.8
137.06105	33.9
147.08153	3.3
149.06120	4.7
151.07661	5.3
153.05524	3.6
161.06096	2.2
161.09703	3.6
163.11366	2.6
164.04831	1.9
173.06090	2.9
177.09227	7.2
179.10817	2.8
181.05054	2.4
183.08174	2.2
185.09698	3.4
189.09268	3.0
190.09430	2.1
193.08755	2.5
197.06049	5.5
197.09703	2.4
199.07677	2.1
199.11365	2.3
211.11287	2.7
213.09286	7.3
215.10764	5.1
225.09296	4.6
227.10768	5.6
229.12334	2.7
237.12819	2.7
239.10963	10.3
240.07922	2.4
241.08762	5.9
241.12393	6.2
253.12312	3.5
254.09824	2.1
255.10295	16.0
256.10928	2.7
257.11868	12.1
263.10724	2.7
265.12332	2.6
273.76593	2.1
279.13803	10.0
280.11356	2.6
281.15707	2.6
283.13773	2.5
293.11819	2.8
301.10803	4.5
311.12939	7.4
323.12958	4.8
323.16412	4.0
341.13992	5.0
359.16687	2.7
367.15546	7.3
377.17712	8.6
381.17044	3.3
395.18759	4.2
405.17111	5.5
417.20856	8.1
421.16644	3.3
423.18137	38.0
424.18701	4.7
435.21811	9.3
439.17682	5.7
449.20209	2.6
453.22986	3.8
461.19986	7.5
467.16565	2.7
467.21213	4.3
479.20792	29.1
479.30542	2.3
480.21866	2.3
497.21854	100.0
497.30951	9.3
498.22348	12.1
505.18579	2.5
523.20227	7.7
541.20959	94.1
541.30280	15.2
542.21210	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2088
Annotation	(7R,8S)-7'-Deoxo-2'-deoxy-2',3':7,8-diepoxy-7',5'-(ethylideneoxy)verrucarin A
Peak:m/z	Relative Intensity
57.03459	5.7
59.01376	1.8
61.98834	1.5
62.99310	1.1
69.03460	1.2
70.48648	2.5
71.05024	1.2
72.99298	2.1
73.02959	12.4
74.10429	1.3
84.31635	1.2
88.79775	1.4
89.61961	1.5
94.05199	1.1
95.05026	2.3
97.02966	1.8
101.57864	1.2
109.06616	3.8
119.43629	1.2
121.06595	2.5
123.08203	1.7
123.63293	1.3
125.02491	3.1
130.16074	1.2
135.04625	1.3
137.06073	1.9
151.07661	3.3
157.06616	1.8
158.51454	1.3
159.08151	1.9
161.06177	1.4
161.09721	1.8
163.11374	1.5
163.35895	1.1
171.04599	2.6
173.06049	1.4
174.07040	1.5
179.07120	3.9
185.06218	2.1
189.09190	1.8
195.08098	1.5
197.06122	1.7
199.07634	2.8
207.10365	1.5
213.05618	3.9
214.06392	2.7
215.07124	4.1
233.15565	1.7
237.09152	1.9
239.10825	1.4
240.04298	1.4
262.06616	1.3
263.10864	1.2
265.12442	1.6
277.12415	2.4
281.10333	2.5
289.07245	1.6
301.12286	2.3
305.11838	4.8
307.13531	3.4
317.15494	2.1
325.49622	1.3
337.14682	2.8
345.11423	1.5
347.13037	2.5
359.16391	4.5
365.13989	17.0
366.14465	1.8
367.19012	1.4
377.17813	6.4
385.14371	2.0
391.11914	3.3
395.18637	7.4
403.15594	6.2
417.20566	1.8
421.16583	9.4
425.23486	1.7
435.21811	1.6
439.17676	26.4
440.18048	3.5
447.14618	2.8
461.19675	1.8
465.15576	12.0
469.22385	5.2
479.20743	3.3
483.16632	7.8
497.21948	2.3
541.20795	100.0
542.21179	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2084
Annotation	(7R,8S)-7'-Deoxo-2'-deoxy-2',3':7,8-diepoxy-7',5'-(ethylideneoxy)verrucarin A
Peak:m/z	Relative Intensity
57.03446	1.7
59.01387	0.9
68.03027	0.8
69.03948	2.9
69.04375	6.7
70.21403	0.9
71.05025	1.7
73.02954	11.4
76.04504	0.8
87.00870	0.8
89.75010	1.2
97.02943	1.0
98.21861	1.5
107.05077	1.3
109.02927	1.0
109.06598	5.1
113.02406	0.8
121.06549	1.1
123.08150	1.0
125.02458	1.9
137.06067	1.2
149.02425	1.0
149.06107	2.2
150.22697	0.9
159.08228	1.6
161.09709	2.4
163.11256	1.4
165.05563	1.7
175.42242	0.8
181.06680	1.1
185.06104	2.7
187.07588	2.3
190.79684	0.9
197.06111	1.2
199.07658	2.3
211.04036	1.2
213.05602	3.5
214.06342	2.2
215.07133	8.1
225.09106	0.9
237.09077	1.8
239.03539	1.0
239.10823	1.2
240.04242	1.4
243.10262	1.7
275.92184	0.8
277.12216	1.3
301.12396	1.1
305.11752	2.8
307.13400	2.4
317.11771	1.6
319.13446	2.8
337.14496	2.3
347.12778	3.3
349.18024	2.2
359.16492	3.2
365.13940	12.2
366.14569	1.8
367.19138	4.2
377.17578	4.0
385.14401	1.6
391.11789	1.5
395.18704	4.8
403.15637	4.0
407.22409	1.9
411.18137	1.4
417.21014	1.1
421.16541	7.9
425.23358	3.1
439.17685	21.8
440.17917	2.1
447.14615	1.2
465.15488	14.6
466.16168	1.1
469.22333	4.5
479.20740	2.6
483.16617	10.8
484.17276	1.3
497.21637	1.4
518.31177	1.0
541.20813	100.0
542.21155	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2084
Annotation	Henridilactone A
Peak:m/z	Relative Intensity
56.75344	2.2
59.01373	3.5
60.66801	2.2
61.98837	2.4
62.57837	1.9
68.99577	20.9
70.06922	1.9
71.05017	3.8
73.02950	11.4
79.56670	2.1
87.00878	2.0
88.67192	2.3
90.16962	2.3
97.02970	3.7
103.05455	2.8
109.06600	4.7
121.06599	3.6
131.08693	4.8
132.79636	2.7
133.06601	2.6
137.06125	6.3
149.06073	4.0
159.08147	6.7
161.09747	4.8
171.80887	2.3
185.06064	3.2
187.07607	2.6
199.07654	2.7
213.05614	4.8
215.07193	7.0
225.09142	2.4
251.31383	2.1
262.89337	2.3
263.12949	2.6
279.13733	2.8
293.15445	2.4
317.10373	4.6
337.14502	3.7
365.13931	30.6
377.17548	6.9
423.18106	9.1
435.22144	4.3
439.17609	8.6
467.17047	26.2
468.17834	3.8
479.20535	4.1
497.21628	14.7
498.23276	2.4
523.19623	3.4
541.20795	100.0
542.21045	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	2.8
59.01384	49.3
61.98837	3.4
63.12606	1.1
65.14750	1.1
71.01389	29.3
71.18615	1.6
71.18951	1.5
72.99306	1.6
73.02946	2.4
74.97017	1.2
76.83872	1.4
77.60381	1.1
83.01398	2.3
83.70220	1.1
85.02961	7.7
87.00885	1.2
89.02453	39.4
92.59471	1.0
95.01400	3.2
101.02457	15.1
101.53330	1.1
113.02460	13.7
119.03512	13.8
131.03615	1.7
137.09734	8.3
143.03513	2.2
143.07127	2.6
155.10788	79.9
156.11203	1.3
161.04533	2.9
169.12352	1.6
170.97989	1.1
179.05606	9.3
181.08572	1.6
198.34137	1.4
199.09769	81.4
200.10156	1.8
206.36699	1.1
217.10944	1.8
241.10867	4.0
277.13470	1.2
361.15054	4.9
379.16113	100.0
380.16418	5.2
421.17157	4.4
496.30865	1.2
541.21729	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87209	0.7
59.01381	16.2
61.98849	0.8
65.80873	0.6
71.01386	10.7
73.02953	2.5
85.02966	2.5
87.04528	0.9
89.02448	11.8
95.01396	1.1
95.75714	0.7
98.21772	1.9
101.02446	5.4
113.02469	5.5
119.03522	4.3
121.09467	0.6
130.72725	0.6
131.03543	1.5
135.08156	2.4
137.09723	15.4
143.03520	0.9
143.07147	0.7
149.06258	0.6
154.14407	0.7
155.10789	93.5
156.11110	2.6
161.04619	2.1
179.05649	3.1
181.05052	1.4
181.08702	3.9
183.06631	1.4
199.09766	100.0
200.10124	2.7
202.39536	0.8
213.44441	0.8
217.10703	1.2
224.71136	0.6
241.10892	3.2
349.18661	1.2
361.15073	15.2
362.15320	1.2
379.16083	20.3
380.16696	1.2
541.21112	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49803	0.9
58.00579	1.4
59.01387	27.4
61.98826	3.8
71.01390	17.6
72.99308	1.1
73.02950	3.6
83.01416	1.4
85.02932	5.8
87.00871	1.2
89.02454	19.1
95.01405	2.0
101.02451	10.5
113.02465	12.0
119.03498	8.5
119.10056	0.9
122.97958	1.0
125.02484	1.8
131.03497	2.9
135.08141	2.0
137.09743	20.6
138.10077	1.0
143.03506	2.3
149.04506	1.6
155.10796	91.7
156.11150	2.0
161.04614	4.9
179.05582	5.8
181.05074	1.3
181.08755	7.3
183.06621	3.0
191.05650	1.3
195.06645	1.5
199.09773	100.0
200.10115	3.5
221.06493	1.3
241.10831	10.6
301.13019	2.5
329.82751	0.9
345.31479	1.2
349.18600	5.6
361.15134	15.4
362.15131	1.5
379.16135	27.0
380.16467	1.5
541.21350	4.9
567.23560	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	58.8
60.43050	6.1
60.57331	6.0
61.98819	6.3
64.50468	5.9
71.01366	27.8
81.80202	5.7
81.97491	6.2
85.02930	12.6
89.02456	45.7
89.53593	6.5
101.02431	28.5
113.02450	10.6
127.11229	8.9
131.03465	11.8
149.04515	21.6
161.04510	11.4
187.13390	37.0
191.05634	18.1
335.14957	11.1
349.18634	45.7
361.12827	7.8
379.13940	100.0
481.22589	19.7
541.18341	20.9
541.24414	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	5.5
59.01389	8.7
61.98836	10.1
69.03458	28.0
70.36198	9.4
71.01392	6.5
73.02936	3.9
83.05029	4.3
85.02966	5.2
87.04529	4.4
95.05070	2.5
97.02965	7.2
97.06561	3.4
99.04547	11.5
100.00893	2.4
101.02470	3.7
105.07107	2.5
109.02985	5.3
109.06626	3.7
111.00883	2.9
111.04499	4.1
112.01669	17.7
113.02461	87.5
123.04535	4.9
125.02477	30.3
127.04029	5.4
131.03497	12.3
135.04521	4.2
135.08072	2.6
137.02490	2.6
137.06102	6.5
139.48869	2.7
140.01190	42.6
151.04083	3.1
151.07689	5.1
173.09586	3.6
185.09755	3.6
189.13004	2.7
191.07225	3.8
247.13356	3.5
303.21417	3.3
321.22177	4.0
328.13272	23.4
339.51199	2.8
343.15533	100.0
344.15836	8.9
347.20126	6.1
349.22061	5.2
365.21283	9.5
387.23486	5.4
397.20035	3.3
409.20236	27.0
417.24274	4.8
427.21097	18.2
428.21423	4.0
431.22797	4.9
435.25626	4.2
449.23608	3.4
461.23718	4.8
475.21176	3.3
479.24619	7.2
484.75815	2.9
497.25162	16.1
505.21497	5.9
511.23447	11.7
523.23291	13.2
541.23340	24.7
541.30615	12.8
542.24304	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	9.5
59.01374	12.3
59.11730	2.4
61.98830	13.4
69.03451	17.4
69.11506	18.9
71.01356	8.3
71.04993	8.4
72.99298	3.3
73.02914	7.0
79.05457	2.7
80.02669	2.3
81.03440	3.7
83.05031	21.0
85.02915	8.3
85.06580	2.5
87.00880	10.1
89.02406	2.1
93.03404	3.1
95.01349	3.4
95.05002	8.5
97.02950	23.5
97.06568	6.0
99.04527	16.4
105.07062	7.0
107.04979	5.6
108.02134	2.8
109.06599	28.3
111.00874	2.3
111.04487	9.0
111.08117	7.7
112.01674	13.3
113.02456	20.9
116.48931	1.8
117.73473	2.0
119.08654	4.4
121.06600	12.5
121.10238	2.2
122.03735	3.3
123.04554	13.3
123.08149	11.0
125.02422	4.6
125.06016	6.4
125.09679	4.7
127.03956	5.5
127.07590	8.1
133.06580	4.0
134.07364	2.3
135.04459	6.9
135.08092	8.4
137.06108	9.2
137.09679	7.1
139.07657	61.5
140.01166	35.3
140.07959	2.0
141.09146	2.7
143.03450	4.2
147.04507	2.2
147.08086	8.6
149.06012	7.2
149.09731	21.9
151.03998	2.5
151.07652	10.5
151.11197	4.6
153.05533	5.5
155.07092	3.0
159.11740	1.9
161.06049	4.0
161.09631	2.8
163.07634	4.2
165.09189	5.4
167.07037	3.8
171.08134	2.6
171.11801	2.4
173.06065	3.4
173.09612	3.9
175.07578	7.9
175.11214	4.0
177.09155	4.7
179.07077	2.2
179.10789	3.1
185.09636	4.1
187.07597	3.8
187.11147	2.2
187.56998	1.9
189.09166	3.6
189.12856	3.9
199.06125	36.0
199.07799	4.8
200.08398	2.8
201.12756	4.4
205.08376	2.3
211.14816	5.8
213.09186	2.5
215.10596	4.9
227.10663	2.7
227.14333	2.8
227.43118	2.1
229.12289	4.0
229.16031	2.2
234.83221	2.4
253.09042	4.8
287.16321	6.3
305.17593	15.6
307.20441	3.7
341.17703	1.9
349.21582	2.8
351.19241	4.2
369.20966	2.2
385.16525	3.9
387.23465	13.2
397.19858	2.7
405.19269	2.1
405.24216	10.3
413.20227	3.3
417.24121	4.3
427.21176	4.1
431.22141	5.9
435.24957	4.9
437.19327	2.5
449.23346	38.4
450.23364	3.7
453.26712	3.6
461.22974	3.1
467.24045	7.1
469.25461	2.4
479.23917	7.0
493.22339	87.0
494.22870	11.5
497.24899	15.8
497.30008	2.9
497.31345	4.8
505.21698	3.0
511.01273	2.0
511.23383	100.0
512.23737	13.8
523.23065	7.6
541.23914	67.6
542.24200	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
58.00595	1.7
59.01383	60.1
69.69532	8.1
71.01385	39.6
72.99297	2.1
73.02953	4.0
83.01373	2.5
85.02960	9.9
87.34933	1.4
87.41518	1.5
89.02453	48.9
95.01395	2.4
99.00884	3.8
101.02447	31.7
102.50825	1.5
106.73942	1.6
110.47557	1.3
113.02464	16.3
114.60218	1.5
119.03504	12.4
125.02430	2.5
131.03510	16.6
135.04510	2.6
143.03497	3.7
149.04562	14.9
155.10765	5.1
159.02980	1.9
161.02446	2.0
161.04552	13.5
168.78125	1.5
169.14340	1.4
173.04347	1.3
179.05588	8.1
191.05678	11.0
199.09688	2.4
208.28915	1.6
305.05743	1.5
311.09912	2.7
349.18674	100.0
350.18964	3.7
373.55765	1.5
379.16266	4.0
481.22910	34.5
482.23172	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59938	0.7
55.98485	0.6
59.01383	100.0
61.98837	9.3
69.05800	3.4
69.06223	3.0
69.22157	0.9
88.51223	0.7
89.24121	0.8
98.21805	1.7
98.51849	0.7
155.64090	0.7
353.02954	0.8
448.08771	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41438	0.9
59.01383	100.0
60.28049	1.0
60.57372	0.9
69.04136	10.5
69.36224	1.1
72.55550	1.1
74.39638	0.9
81.01072	1.1
98.22541	2.3
116.92904	1.0
141.31226	1.0
173.41783	1.0
174.80272	1.1
197.24251	1.1
249.22284	1.0
481.29303	1.8
503.33527	2.7
541.28986	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01716	0.9
61.98840	1.8
65.61839	0.4
71.30834	0.7
75.39675	0.5
91.75693	0.4
97.81585	0.5
125.77435	0.6
126.76472	0.5
130.48956	0.5
181.95648	0.4
185.48245	0.5
193.06044	0.4
394.24469	0.6
541.30261	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3175
Annotation	Vannusal B
Peak:m/z	Relative Intensity
59.01384	100.0
60.01702	0.8
60.40535	0.5
74.59685	0.6
85.64055	0.5
95.19200	0.5
121.00150	0.5
136.59612	0.6
229.35852	0.6
289.33942	0.5
305.54529	0.6
324.50613	0.6
437.30832	0.7
440.52582	0.7
463.28650	0.9
481.29633	17.9
482.30463	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01725	0.7
61.98836	19.7
69.96267	2.6
71.01024	0.6
98.21755	0.7
111.74316	0.8
114.06325	0.6
138.21425	0.6
150.15021	0.7
348.31598	0.7
352.94525	0.7
481.29541	5.8
482.30301	1.0
539.18658	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.2
60.99311	14.4
71.78880	0.4
76.85236	0.5
77.47153	0.5
85.26766	0.4
87.00888	0.6
88.64994	0.5
88.98813	100.0
89.02453	3.5
89.99134	0.7
94.66368	0.5
98.21747	1.4
99.92593	2.2
115.92098	2.8
116.92870	3.0
162.15985	0.4
162.66243	0.4
167.07106	0.6
215.75955	0.4
289.10764	0.5
479.10071	0.5
505.07751	0.6
541.10297	1.6
542.10522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
73.81926	66.0
75.62737	74.8
78.96371	89.1
82.67093	77.2
84.98612	76.8
279.19724	73.8
286.80460	77.4
341.80576	77.7
386.90720	86.5
396.79413	73.4
410.04498	99.1
421.45248	81.2
525.53870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
63.23466	5.3
63.47464	5.1
66.89533	5.1
69.09078	11.5
69.09487	27.9
73.14594	5.4
74.25829	5.0
92.16165	7.2
114.17686	5.9
127.98148	6.2
191.12471	5.6
483.31131	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08967	0.6
51.37905	0.5
54.27553	0.6
59.01386	7.3
59.97591	0.5
60.39065	0.6
61.98833	100.0
70.63252	1.4
70.63602	0.7
78.95901	3.3
152.99576	3.8
262.00998	0.7
347.48672	0.6
362.09576	0.7
446.28061	0.6
482.29904	0.9
542.25433	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67214	11.9
62.67669	11.7
69.02635	14.0
69.03033	100.0
74.46263	10.6
75.57563	12.0
76.61662	12.6
84.25553	12.8
104.37083	11.1
142.38863	13.3
233.19727	11.7
234.26852	12.3
278.35010	10.8
279.92450	11.1
341.92038	12.7
542.31433	19.8
543.22174	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44628	4.1
56.85939	3.5
57.03470	4.3
69.03459	4.1
69.22557	37.4
83.05036	9.5
87.00883	4.2
99.04527	11.1
100.34285	4.4
111.08134	21.5
111.09303	4.6
121.03284	4.3
122.29769	5.4
123.08137	4.2
139.07585	8.0
155.07132	4.8
257.82391	4.5
259.86594	5.2
270.22174	4.4
499.27084	100.0
500.27258	15.4
543.25916	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	67.4
59.66497	20.4
61.98843	27.8
73.97577	19.0
82.31022	19.1
83.03764	23.6
97.02967	87.5
97.09877	19.4
98.03211	22.2
98.21819	65.4
124.85088	19.1
131.58745	18.6
264.38013	24.0
477.26575	87.3
478.26694	48.1
497.29083	33.7
499.30536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50818	1.0
55.45860	0.8
65.03957	1.1
66.11774	1.0
69.03447	1.4
71.01392	1.8
73.02960	5.5
81.03464	3.9
83.05024	3.1
85.02937	1.6
87.14365	0.9
93.03460	32.4
93.09893	1.1
95.01380	2.5
98.22163	7.4
99.00881	1.4
109.02953	10.8
111.00848	1.3
111.04517	14.0
115.05614	1.0
124.98810	2.7
125.00961	1.1
127.02520	3.3
137.02454	52.6
149.00948	26.2
150.01193	1.3
151.02512	20.3
152.02605	1.0
153.00465	2.5
155.03502	2.4
173.04552	5.0
177.00455	29.6
178.00731	1.4
191.05774	1.3
191.99333	1.1
195.01456	10.7
201.04089	7.3
203.02118	1.2
203.05724	4.3
213.02545	15.4
215.05652	1.6
219.01393	0.9
219.05183	1.2
221.06790	1.5
225.04123	6.3
227.05652	8.2
228.95422	1.2
229.03583	3.2
231.03568	1.1
241.03586	2.3
243.05122	2.6
245.03159	1.1
245.06653	5.3
247.04663	3.5
253.03609	3.0
255.89906	1.0
269.03061	3.4
271.04669	10.5
273.02551	7.3
289.05618	2.5
291.03745	2.1
297.02344	2.1
307.03329	1.5
307.06732	5.4
309.01038	3.1
309.04758	3.0
315.03622	7.4
333.04678	15.2
333.08368	1.7
339.02014	11.1
340.02151	1.2
351.05731	29.6
352.05838	2.7
369.06796	100.0
370.07135	7.0
387.07864	18.6
483.06720	1.1
543.12085	48.2
544.12482	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03964	1.3
71.29536	1.5
73.02944	4.1
78.95898	2.5
81.03468	3.3
83.05051	1.5
85.02946	2.1
90.14011	1.1
93.03463	33.0
95.01379	1.8
96.96951	2.7
99.00911	1.8
99.04551	1.9
99.19839	1.3
104.26015	1.4
109.02985	8.6
111.00862	1.7
111.04550	12.8
125.00986	1.9
125.02428	1.8
127.02515	4.2
137.02458	50.5
148.99881	2.1
149.00952	19.9
150.01172	1.8
151.02501	17.9
153.00471	2.1
155.03476	2.4
173.04587	4.3
177.00471	28.0
178.00633	2.5
191.02011	1.4
191.05602	2.9
195.01498	11.9
201.04088	8.9
203.05672	3.8
205.03445	1.3
213.02567	8.6
213.04272	1.8
215.05594	2.6
217.07130	1.5
225.04147	7.6
227.05609	9.3
241.03595	2.9
243.05145	3.7
245.06654	4.3
247.04655	3.3
253.03580	3.5
269.03012	2.6
271.04651	10.2
273.02805	5.8
289.05661	4.0
291.03629	1.8
297.02496	2.1
307.06686	8.4
309.01447	1.6
309.04694	2.0
315.03613	10.2
333.04730	16.2
339.02133	4.3
351.05740	29.8
352.05875	2.1
369.06778	100.0
370.06921	8.9
387.07767	15.5
522.39630	1.2
543.12079	57.3
544.12360	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66246	1.0
57.03444	3.7
59.01390	11.6
61.98822	2.7
65.58767	0.8
66.58095	0.8
69.03443	3.8
69.72087	0.9
71.01387	6.6
71.05012	1.3
72.99294	2.7
73.02935	3.2
79.84603	1.1
80.78533	0.9
81.03439	1.1
83.01393	1.2
83.05025	2.3
85.02965	2.1
87.00841	4.5
87.04560	0.9
89.02450	6.3
93.03468	76.8
93.07117	1.0
94.03791	1.8
95.05045	1.3
97.02972	12.7
97.06580	2.0
98.03305	1.7
98.21693	2.0
98.22382	4.4
99.00845	1.7
101.02453	5.7
107.05029	1.3
109.02923	1.7
109.06584	5.0
111.00835	1.2
111.04528	2.2
113.02444	3.4
119.03506	1.0
121.06614	1.4
122.03771	1.3
123.04528	2.2
131.03499	3.8
136.05362	1.2
137.06094	13.9
137.22154	0.9
147.11787	2.4
149.04561	1.3
151.07614	2.6
159.08177	1.1
161.04579	1.5
161.09741	1.0
163.11327	2.9
167.73770	0.9
169.06618	17.7
177.09166	2.0
179.07170	1.4
179.10796	1.5
185.09663	1.2
186.28508	0.9
188.58896	1.0
189.09258	1.9
190.09541	1.2
191.05647	2.8
191.07198	1.3
191.10707	1.1
201.12930	1.2
209.11815	4.4
213.05588	100.0
214.05971	4.9
215.10735	2.3
229.12263	1.6
249.14973	4.8
255.10287	1.3
259.09891	1.0
283.13382	1.8
289.18103	2.1
307.19183	10.1
329.06332	3.8
339.15811	1.3
363.19766	1.9
411.25204	2.3
419.22156	4.6
437.23337	5.2
441.17993	2.1
455.24533	2.3
463.21182	6.7
481.22159	17.9
482.22360	2.2
483.19357	1.2
499.23395	10.2
499.32626	3.6
507.20352	3.1
525.21497	10.2
543.13666	2.1
543.23535	18.8
543.31763	4.4
544.23987	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	7.6
58.26617	0.9
59.01386	4.7
59.73587	0.9
63.02404	1.4
65.00329	4.2
69.03454	2.0
71.01389	4.7
73.02946	2.0
83.01398	4.0
85.02951	1.0
89.02444	2.8
93.03448	1.4
95.00781	1.0
95.01395	20.0
97.02958	3.5
98.22624	2.3
99.00923	1.4
99.15616	1.0
101.02451	2.4
107.01408	3.5
108.02183	1.4
109.02983	1.5
109.06567	1.0
111.00853	5.2
113.02465	2.3
121.02960	1.9
122.03751	3.4
123.00898	12.2
124.01675	28.5
125.02459	100.0
126.02795	2.5
131.03535	1.6
137.02437	1.8
137.06111	1.6
139.00414	6.8
140.01205	1.1
149.02458	6.2
150.03239	23.7
151.00378	16.7
151.04008	1.2
152.01167	29.8
156.00772	1.0
163.11285	1.4
164.01147	1.1
164.04758	1.4
165.01944	5.2
165.05589	18.7
178.58157	1.0
178.99860	26.2
180.04311	2.8
191.15010	1.0
195.06654	3.8
207.04959	1.0
227.03455	1.7
229.05046	1.0
244.03697	1.0
245.04530	1.3
245.66904	1.0
249.15030	6.0
255.03047	1.0
264.02469	0.9
285.04089	1.8
287.05692	3.2
302.07965	9.9
303.05161	2.0
303.08487	1.4
313.03528	3.6
318.07550	4.5
319.08212	3.4
328.05786	6.4
329.06570	2.1
346.06827	1.9
347.07416	2.2
347.39230	1.0
411.19586	1.5
481.22229	1.2
499.16061	5.9
507.21948	3.8
515.15613	22.5
516.15967	2.4
525.14410	5.0
525.21295	1.6
543.15076	47.4
543.24060	11.0
544.15411	4.7
544.24011	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	8.3
59.01377	4.1
63.02393	1.7
65.00320	3.1
69.03455	2.4
69.09763	6.7
71.01386	5.1
72.99319	1.5
73.02947	1.3
80.46040	0.8
81.33265	1.0
83.01384	4.2
85.02974	1.7
89.02475	2.4
93.03487	2.7
95.01397	23.1
96.96004	1.2
97.02970	1.3
98.21754	1.2
98.22324	3.9
99.00925	1.2
101.02459	2.9
107.01411	4.6
108.02159	1.7
109.02959	1.3
111.00891	6.6
113.02463	2.2
121.02959	2.2
122.03764	3.6
123.00903	11.9
124.01675	30.3
124.02537	2.1
125.02457	100.0
126.02802	2.1
136.01695	1.8
137.02469	2.8
139.00352	6.6
140.01183	1.8
141.01993	1.1
149.02457	6.0
149.04503	1.3
150.03242	22.6
151.00385	20.4
151.03917	1.3
152.01164	33.9
156.00594	1.0
165.01889	5.4
165.05577	19.0
166.06293	1.4
178.99864	30.2
180.00243	1.5
180.04306	2.4
180.41631	0.9
191.10510	1.1
195.06631	2.8
245.04460	1.4
249.14969	7.4
259.09882	1.5
261.07816	1.3
270.01862	1.5
287.05667	3.2
302.07968	8.1
303.05042	3.0
303.08475	1.8
304.05875	1.3
313.03610	4.6
318.07330	5.1
319.08072	5.6
328.05920	6.7
329.06686	2.1
346.07132	3.9
347.07779	1.3
481.22540	2.2
495.12726	1.4
499.16519	4.6
507.22269	2.8
515.15619	27.2
516.15936	1.5
525.14227	5.3
543.15234	53.2
543.23987	11.5
544.15546	4.4
544.23126	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00616	8.3
59.01376	37.5
61.98837	100.0
65.89700	7.6
69.53526	27.0
71.01393	35.0
73.02964	11.6
85.37998	8.2
89.02454	31.1
91.42861	7.7
96.96045	15.0
101.02473	21.7
120.32388	7.4
123.00092	9.3
125.02457	15.1
131.03564	13.6
136.01677	18.2
147.78375	7.9
149.04504	11.9
151.04037	37.9
161.04539	9.1
173.68837	9.1
191.05550	10.5
224.57027	8.0
249.14928	61.0
289.07028	8.7
327.12375	13.7
482.29950	9.8
507.18607	23.7
543.17657	38.7
562.14368	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89970	1.2
59.01387	16.5
61.98835	3.1
68.96213	14.4
71.01385	18.0
73.02950	3.8
73.77162	1.3
76.09754	1.5
85.02956	6.6
89.02450	17.8
95.01407	2.8
101.02445	12.5
103.20410	1.4
109.02971	1.5
113.02452	7.8
119.03506	9.8
121.10251	5.6
137.06604	1.3
151.03999	2.7
161.04590	5.8
165.09282	6.5
171.34956	1.4
179.03586	1.5
179.05612	8.4
219.72282	1.4
236.87350	1.4
345.15558	100.0
346.15817	6.1
543.18451	17.1
544.18658	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1855
Annotation	PHYSALIN D
Peak:m/z	Relative Intensity
57.03443	0.9
59.01384	3.6
61.98834	1.8
63.22409	0.7
66.75017	0.8
71.01367	2.2
72.00573	0.7
78.95909	35.9
80.02673	2.3
81.03436	1.8
83.01382	1.0
83.05035	8.0
84.02162	1.6
85.02960	1.5
89.02420	2.2
93.03487	1.2
95.05007	1.2
96.96970	9.4
101.02408	2.2
103.86024	0.9
109.06554	0.8
114.99094	0.7
131.03519	1.9
135.08145	0.8
142.34464	0.8
151.00369	0.8
152.99599	39.0
153.99893	0.8
163.11279	7.3
165.12830	3.6
171.00719	1.1
181.12376	0.8
191.05588	0.9
191.10762	1.2
209.11838	85.2
210.12134	4.0
223.00064	4.4
227.12863	9.0
232.54683	0.8
241.01193	21.4
259.02014	0.9
289.40735	0.8
315.04938	6.8
325.27243	0.8
333.05841	1.7
367.21201	1.2
543.18469	100.0
544.18781	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89970	1.2
59.01387	16.5
61.98835	3.1
68.96213	14.4
71.01385	18.0
73.02950	3.8
73.77162	1.3
76.09754	1.5
85.02956	6.6
89.02450	17.8
95.01407	2.8
101.02445	12.5
103.20410	1.4
109.02971	1.5
113.02452	7.8
119.03506	9.8
121.10251	5.6
137.06604	1.3
151.03999	2.7
161.04590	5.8
165.09282	6.5
171.34956	1.4
179.03586	1.5
179.05612	8.4
219.72282	1.4
236.87350	1.4
345.15558	100.0
346.15817	6.1
543.18451	17.1
544.18658	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	9.4
59.01385	13.6
59.30421	2.6
61.98828	6.6
69.03446	7.9
69.56756	16.7
71.01382	3.9
74.27341	2.5
81.03465	6.2
83.05037	9.3
85.02955	4.3
85.06609	3.2
87.00888	2.8
89.02446	7.7
89.94904	2.9
95.05065	7.2
97.02974	14.9
99.04527	10.0
99.86211	2.9
101.02494	4.4
107.05038	3.6
109.06602	69.8
110.06963	3.6
111.04513	5.0
111.08144	2.7
112.05280	3.6
113.02483	3.1
121.06618	3.8
123.08163	4.4
127.07661	22.6
139.07692	14.6
149.06194	2.8
150.67836	3.1
153.05621	3.2
160.80109	3.0
199.06129	100.0
200.06474	5.8
253.09521	3.0
295.16998	8.7
371.18625	5.3
389.19681	28.5
437.26654	3.6
467.28036	11.6
471.27188	3.8
481.29437	10.3
489.22806	9.7
499.30438	12.1
543.21082	26.4
543.26819	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	13.5
69.03467	33.2
71.01395	7.7
73.98935	5.3
79.05537	5.1
85.02974	5.6
87.00889	5.6
89.02436	8.1
97.02962	100.0
97.06616	5.2
109.06615	42.7
113.02470	26.3
121.06636	9.9
122.03805	5.4
123.04521	6.2
137.06091	26.1
161.09755	7.3
163.11331	38.9
175.07610	8.3
177.09216	16.4
179.07135	13.7
179.10817	6.0
188.08508	6.2
191.10878	5.4
201.09215	7.9
213.09244	6.6
215.10747	11.1
217.12398	5.9
241.12576	9.1
245.11899	6.9
249.14928	15.9
255.10300	17.6
257.11850	9.4
273.11444	11.9
281.15344	8.4
337.18088	12.0
355.19492	5.6
383.18735	13.9
391.22845	7.2
393.24417	7.4
401.20828	7.5
419.22409	41.9
429.19131	15.9
435.21771	6.0
437.23450	21.4
445.19989	6.8
463.21292	88.9
479.20770	10.1
481.22318	72.2
482.22818	11.2
497.21964	17.4
499.23175	14.8
507.20316	29.3
525.21307	94.8
526.21851	13.5
543.22638	80.6
543.31732	7.2
544.22876	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
57.03427	1.8
59.01377	3.5
65.03941	1.7
67.01892	2.5
67.04971	1.3
69.03439	4.0
69.85678	1.3
72.99310	43.5
79.05543	1.4
81.03481	1.8
83.05018	2.5
85.02959	2.3
86.64585	1.4
87.00877	2.5
93.03443	3.5
93.07115	2.4
95.05036	14.1
97.02952	22.6
97.06605	2.8
98.22567	2.7
107.05035	5.3
109.02965	3.3
109.06593	10.2
111.08149	2.7
121.06615	3.6
122.03736	9.7
123.04530	3.6
123.08190	1.9
133.06572	3.0
135.04607	1.5
135.08142	1.8
136.05330	1.8
137.06096	100.0
139.07661	2.8
147.04674	1.4
147.08081	2.0
149.06107	2.0
153.05617	3.1
153.09286	1.3
155.32855	1.4
157.06601	2.5
163.07657	1.6
163.11266	3.9
173.06120	1.8
173.09769	2.0
175.07661	2.6
179.10695	2.3
181.05075	5.2
187.07707	1.9
188.64847	1.5
201.09312	2.3
203.10664	1.9
203.40489	2.1
207.10188	1.6
213.09256	2.3
215.10759	3.7
227.10983	2.1
239.10820	2.1
241.12459	2.6
243.10158	1.7
255.13821	2.2
257.11719	2.5
273.11371	2.4
281.15390	2.6
299.16541	5.5
325.14401	3.8
337.17899	2.4
343.15518	5.2
361.16684	8.4
383.19104	2.3
387.14581	5.1
388.15112	2.4
401.21078	2.6
405.15591	20.8
406.15808	2.2
419.22348	7.3
427.17728	3.3
433.20468	7.5
437.23465	7.4
445.20190	2.6
451.21487	17.4
452.21777	2.0
453.22794	2.2
463.21289	18.7
464.21637	2.0
481.15961	2.9
481.22354	39.1
482.22986	3.5
507.20255	4.0
525.21185	12.2
543.22125	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.2
57.03435	11.3
57.71210	2.9
59.01370	14.8
59.76332	3.0
60.71569	3.8
69.03452	13.9
71.01362	3.5
72.99313	71.6
83.01389	5.1
83.05015	7.0
85.02931	3.3
93.03504	3.8
93.07113	16.5
93.25370	3.1
95.05043	17.9
97.02951	42.6
98.21786	5.5
99.04527	10.0
107.05054	7.5
109.02939	10.3
109.06580	12.6
121.06614	7.3
122.03740	10.5
123.08121	3.9
133.06537	3.8
135.04538	4.0
135.08165	6.5
137.06093	100.0
143.08708	3.3
145.06525	4.5
145.10258	6.5
147.08153	5.1
147.11790	15.7
149.06085	8.7
151.07674	5.4
157.10175	3.5
158.07353	3.8
159.08154	7.3
159.11816	13.1
161.06171	3.3
163.11263	4.1
169.06689	5.3
171.08168	5.8
173.06038	3.8
173.09735	6.5
173.13358	5.3
175.07820	3.6
175.11308	3.9
177.09186	4.6
185.06093	5.6
187.07651	4.3
187.11328	4.6
189.09236	6.4
191.10771	15.9
197.06042	5.1
199.07616	6.1
201.05652	4.0
201.09204	7.5
201.12662	4.4
203.10797	12.7
204.04286	5.0
205.08650	4.7
209.09792	3.2
211.07573	4.2
213.09187	9.1
215.10590	3.7
223.07613	4.7
225.09105	4.5
228.07993	4.2
229.08635	3.8
235.11174	3.8
241.08681	9.4
241.12338	4.7
242.09271	3.3
243.10190	4.4
253.11908	3.2
255.10320	8.8
271.09653	6.8
275.10788	3.5
281.15463	5.7
295.13379	4.0
299.16599	3.6
307.13422	4.5
319.20679	4.7
323.16492	3.4
327.17722	5.4
343.16141	5.5
345.18564	7.7
347.20020	4.4
353.18097	3.4
361.21841	5.6
363.23361	7.6
365.13733	5.0
371.16135	4.4
371.20227	14.1
387.15015	5.8
389.17453	10.9
389.21301	15.1
401.21140	8.3
403.19373	4.2
405.15906	5.2
407.18167	4.8
407.22772	6.9
415.19394	23.4
419.22290	15.2
421.19977	6.1
433.20630	72.9
434.20651	10.4
435.17844	6.2
437.23386	8.1
445.20102	31.4
446.20636	4.1
451.21558	48.6
452.21512	4.0
463.21265	97.7
464.21869	10.6
479.20740	4.4
481.22415	33.3
482.22144	5.6
499.23407	19.5
507.20306	43.2
525.21362	35.3
543.22028	22.8
562.82697	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24454	1.9
57.03453	3.6
59.01368	8.4
60.33521	2.1
63.58747	2.1
63.67752	2.1
67.01891	2.8
69.03457	7.9
71.01386	4.1
71.05015	2.7
72.99316	38.9
73.02944	3.6
79.05532	2.4
83.01409	2.4
83.05054	3.8
87.00900	3.6
93.03464	4.7
93.07117	8.2
95.05024	13.3
97.02966	27.1
97.06605	2.2
98.22443	7.3
99.04535	4.5
107.04996	6.2
109.02964	6.0
109.06596	7.8
112.05823	2.0
121.06627	5.8
122.03752	11.7
123.04534	2.2
135.04535	3.1
137.06099	100.0
139.07678	4.4
147.08183	3.2
149.06105	4.0
151.07623	2.4
159.04591	2.5
159.11838	4.5
161.06184	2.4
161.09706	3.4
162.06924	2.5
163.07634	3.6
171.08029	2.8
173.06151	3.3
173.09764	5.5
177.09174	2.5
185.06319	2.2
185.09727	4.4
187.07678	4.5
189.09230	3.2
191.10811	9.4
197.06038	2.8
197.09740	3.3
199.07573	5.4
201.09242	4.0
203.10768	4.2
215.10744	3.5
225.12837	5.3
227.10881	3.2
229.08556	2.6
265.12259	2.2
273.11328	4.6
299.16602	4.1
325.14508	3.9
335.20139	2.8
343.15799	5.2
345.18716	6.6
345.26569	10.0
361.16577	19.8
363.19464	3.7
371.20407	5.2
379.19199	5.0
387.14423	5.8
389.16714	10.8
389.21298	8.5
405.15521	23.0
407.18503	27.9
408.18753	3.4
415.19067	5.2
419.21902	5.9
433.15692	23.7
433.21210	6.3
437.23380	4.5
445.19913	5.5
451.22385	18.3
463.21417	10.4
481.15948	4.1
481.22360	47.8
482.23288	6.0
499.23383	3.6
525.21167	23.5
543.22327	39.6
543.30511	3.9
544.22852	3.8
545.00366	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44130	1.1
55.61021	1.1
57.03452	6.3
59.01386	10.5
61.98830	3.2
69.03478	2.1
71.01381	7.2
71.05037	2.3
72.99306	4.5
73.02961	5.2
83.05042	2.4
85.02992	2.6
87.00901	4.0
89.02457	4.4
95.05024	2.0
97.02969	7.2
97.06619	4.1
98.22379	9.2
99.04539	4.4
101.02464	5.7
105.90318	1.3
107.05065	1.6
109.06599	11.2
111.04514	2.6
111.08213	2.0
113.02454	3.6
121.06567	1.5
123.04506	2.9
123.08180	3.7
125.02435	2.8
125.06140	1.2
128.46594	1.3
131.03522	2.3
135.08177	2.8
136.05316	2.2
137.06099	11.1
137.09804	1.6
139.07703	1.6
141.81352	1.3
149.06128	2.6
149.09810	1.5
151.07684	3.2
153.05620	1.8
161.09721	3.3
163.11342	3.3
164.08420	1.8
173.09793	1.5
175.07724	1.4
177.09238	4.1
179.10756	8.9
181.30215	1.2
185.09680	1.7
186.06897	2.6
187.07628	2.8
189.09215	2.7
191.05695	2.0
191.10826	3.1
199.07666	1.5
201.09258	1.5
203.10809	1.8
209.13695	1.6
211.14923	1.5
213.09122	1.2
215.10733	2.8
217.12341	1.6
226.09879	1.9
227.10764	2.4
230.93224	1.2
239.10878	1.6
241.12465	1.8
242.02380	1.6
249.14998	5.2
253.08768	1.6
255.13895	1.5
270.01474	2.0
273.11395	2.1
282.12677	2.4
283.13416	4.9
284.14307	2.1
291.82147	1.4
335.20132	2.3
352.16989	1.6
361.18381	1.9
363.19632	23.0
364.20123	3.6
365.21219	1.9
378.18152	1.4
385.19937	1.7
389.21280	3.1
391.19040	2.3
393.20517	1.6
401.21234	4.9
407.22452	6.3
419.22406	8.0
429.19388	1.4
437.10086	1.5
437.23318	12.6
438.23859	1.5
441.23044	1.6
451.20682	1.9
455.24335	2.7
463.21329	3.6
481.22327	100.0
482.22693	11.2
499.23129	14.7
499.32184	8.3
525.21301	12.4
526.21753	2.5
543.14594	3.5
543.22974	20.7
543.31934	9.5
544.23175	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63912	2.6
52.74398	2.6
59.01372	8.1
67.01859	4.1
69.03453	9.2
70.07769	3.1
70.08106	9.8
81.03455	4.5
83.01410	3.5
85.00089	2.5
85.02945	3.9
93.03474	3.8
93.07105	11.0
95.05032	11.8
97.02954	26.3
107.05076	4.1
109.02966	7.8
109.06631	8.5
122.03790	13.8
133.06560	3.0
137.06099	100.0
147.08179	4.6
147.11804	3.4
149.06129	3.4
157.06645	3.7
161.09676	4.8
163.11333	4.5
171.08199	3.6
172.05362	3.1
181.05046	5.2
187.11264	3.2
189.09225	4.0
191.10831	10.8
199.07726	6.4
203.10703	3.8
213.09303	5.5
229.08919	3.2
243.10326	4.3
297.15106	4.1
299.16675	5.1
325.14389	3.7
343.15689	4.1
345.18466	6.4
361.17072	4.3
363.19751	4.5
371.20026	9.7
385.55411	3.0
387.14481	4.4
388.15182	4.0
389.17523	12.4
389.21719	7.3
405.15695	11.9
407.18573	32.6
409.23862	3.3
415.19281	6.0
419.22318	8.3
433.15909	27.2
434.16879	4.5
437.23331	11.7
445.20129	4.5
451.17615	18.8
463.21405	23.1
481.22388	63.8
482.22681	6.4
507.20255	4.4
525.21265	15.6
526.21277	4.9
543.22565	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61513	4.2
55.01874	8.9
57.03449	20.5
59.01379	56.7
61.98828	27.2
69.03446	13.5
69.82788	22.4
71.01389	38.0
71.05012	21.4
72.25301	3.8
72.99315	9.2
73.02955	13.1
81.03467	7.5
83.01372	5.4
83.05034	43.0
85.02956	18.5
85.06602	4.7
87.00883	18.2
87.04510	12.3
89.02451	27.7
95.05053	11.7
97.02969	15.5
97.06601	19.7
98.21864	6.0
99.00889	11.2
99.04545	20.8
101.02459	20.4
101.06142	5.7
105.07084	11.6
107.05018	15.0
108.02192	6.2
109.02959	7.7
109.06607	26.6
111.00910	5.2
111.04530	39.7
111.08139	14.8
113.02442	12.5
119.08706	7.3
121.06632	20.7
123.04496	11.7
123.08176	11.8
125.02447	17.9
125.06077	6.6
126.99575	7.6
127.04043	20.5
127.07674	9.5
127.83789	4.2
131.03503	16.7
133.10228	8.7
135.04559	8.7
135.08148	13.8
136.05353	5.3
137.06097	47.7
137.09694	13.1
139.03815	4.2
139.07642	42.5
141.09300	5.3
149.06070	11.9
149.09737	6.4
151.04053	5.4
151.07663	15.2
152.56718	5.0
153.05553	7.8
159.08128	8.3
161.09721	9.1
163.07655	12.2
165.09131	5.9
171.08170	5.7
173.04582	6.0
173.06058	6.1
175.07677	9.1
177.09210	18.7
179.10803	18.0
185.09833	5.7
189.09206	8.4
191.05576	10.8
199.11313	4.9
201.09157	7.7
203.10849	13.9
203.14430	7.8
203.85498	4.7
205.08754	4.4
211.05420	7.8
213.05113	16.2
215.10727	7.5
215.14456	10.1
221.08253	10.0
225.09337	6.6
231.13829	12.0
240.11580	15.2
241.12360	34.8
249.14989	34.8
259.13370	25.5
284.10611	21.3
285.11334	9.4
289.07025	5.4
295.02530	20.4
296.03128	8.1
303.12466	5.8
315.15891	6.0
320.32016	4.4
323.01865	8.8
345.26361	14.4
351.18347	7.2
351.22516	6.2
375.23279	7.5
387.27502	6.5
393.24451	9.0
409.36194	4.6
411.24945	4.9
415.27014	10.1
419.22058	7.6
437.23148	7.2
441.23181	8.0
445.06216	4.3
455.34039	26.3
463.20792	5.7
481.25934	6.6
481.31821	10.1
499.24319	9.2
499.27762	5.4
499.32648	19.5
507.19678	6.5
525.21814	15.1
543.13135	22.4
543.24811	100.0
543.32019	67.8
544.25171	9.9
544.32593	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2241
Annotation	(2'S,3'R)-13'-Deoxy-2',3'-epoxy-2',3',7',8'-tetrahydro-13'-oxosatratoxin H
Peak:m/z	Relative Intensity
57.03453	2.3
59.01373	1.5
61.98837	0.5
62.51986	0.4
69.00086	2.8
69.00508	2.1
71.05023	0.7
73.02952	7.2
83.05013	1.0
95.05072	0.5
97.02959	1.7
97.06592	0.8
98.21738	0.9
99.27703	0.5
107.05042	0.6
109.06595	4.0
121.06602	1.7
122.03683	0.6
123.08179	1.3
125.02432	1.8
131.15283	0.6
134.03804	0.5
135.04512	1.5
135.08153	0.7
137.06093	1.2
138.47818	0.5
147.08134	0.8
149.06143	0.7
151.07663	1.1
161.09737	2.1
163.07599	0.5
163.11304	3.3
173.06157	0.8
173.07536	0.6
177.09279	0.9
185.06157	0.6
187.07729	1.0
188.08345	0.6
189.09187	1.9
201.09285	0.9
203.10938	0.9
213.09175	0.6
215.07152	2.4
216.07852	1.0
217.08688	1.2
225.05565	0.5
241.05058	1.4
241.08606	0.7
253.12450	0.7
255.10379	1.4
267.13983	0.8
295.13510	0.6
297.15027	0.9
299.16498	0.6
307.13434	0.8
309.15012	0.6
311.16605	1.0
321.14978	1.5
325.14508	0.6
333.18829	0.5
336.71097	0.5
337.18262	0.6
339.15988	2.9
349.14551	0.8
351.19778	1.0
361.17917	1.7
367.15479	4.7
369.20886	0.7
379.19135	4.3
393.13284	0.7
397.20148	2.2
405.17062	2.0
407.18546	0.9
419.22498	1.2
423.18073	1.9
429.22723	0.6
437.23279	0.9
439.21237	1.1
441.19193	11.9
442.19846	1.4
457.22104	0.6
467.17120	9.1
468.17252	0.9
483.20389	2.5
501.21277	2.4
543.22382	100.0
544.22742	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	4.0
57.23497	0.5
59.01365	1.8
59.47038	0.5
63.05627	0.5
69.02661	1.1
69.03072	3.9
71.05032	0.9
73.02950	6.9
85.02967	0.7
97.02952	1.2
98.22525	1.3
101.02440	0.9
109.06628	2.0
121.02932	2.7
121.06608	1.5
123.00886	0.7
123.04516	0.6
123.08187	0.7
125.02428	1.8
133.06522	0.7
135.04550	1.3
135.08188	0.7
137.06065	1.3
139.70772	0.6
149.06097	1.8
151.07677	1.3
161.09729	1.7
163.07684	1.0
163.11284	2.6
173.06056	0.9
174.47533	0.5
177.05522	0.6
189.09216	1.1
191.44815	0.5
203.10803	1.0
207.10339	0.7
213.09436	0.9
215.07120	1.1
216.07803	0.6
237.09238	0.6
255.10123	0.8
263.10672	0.7
269.08429	0.6
283.13593	0.8
295.13226	1.0
297.14813	1.1
311.16370	0.6
330.17535	0.6
339.16098	2.6
349.13895	0.7
353.21234	0.8
361.18198	1.1
367.15518	3.0
368.16092	0.6
379.19019	3.4
393.13528	1.7
397.20261	1.7
405.17078	2.0
407.18649	1.0
419.22263	0.9
423.18283	1.6
439.21384	1.7
441.19217	9.7
442.19858	0.7
467.17108	6.4
481.22525	0.8
483.20154	2.2
501.21155	2.3
543.22394	100.0
544.22699	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94043	0.7
54.97657	0.7
57.03437	2.3
59.01367	3.7
61.69360	0.7
61.98815	1.3
62.69369	0.8
64.12418	0.8
69.03433	2.3
69.58300	5.1
70.10938	0.8
72.99292	1.2
81.03481	0.9
83.05011	2.1
85.02925	0.9
91.68691	0.9
93.03442	1.3
93.07097	1.3
95.05034	3.2
97.02949	12.2
99.04501	1.9
104.76142	0.8
107.05042	1.3
109.02941	1.0
109.06631	1.8
109.75143	0.8
121.06593	2.5
122.03757	2.3
123.08192	1.2
133.06615	1.6
135.04500	1.0
137.05110	1.3
137.06090	14.0
147.08168	1.1
147.11829	1.7
147.54124	0.9
149.06129	1.4
149.60072	0.8
151.07629	1.5
163.07608	2.8
170.60251	0.8
171.08185	1.0
173.06029	0.9
173.09697	1.7
179.07123	1.1
197.09789	1.1
201.05467	1.0
213.09355	1.0
220.39140	0.8
239.14264	1.0
265.16077	1.0
321.87823	0.9
345.18683	1.8
363.19666	2.2
373.19379	0.9
407.18777	4.6
433.16357	0.9
465.18900	1.0
481.22177	1.5
498.69684	0.9
499.23489	1.3
543.22345	100.0
544.22687	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42878	1.9
54.43187	1.5
57.03445	4.1
58.87013	1.8
59.01392	8.9
69.03455	3.5
69.06319	10.9
69.06746	7.7
71.01393	3.0
72.99310	6.3
73.02943	6.4
83.05032	2.2
87.00867	3.1
89.02463	2.9
90.33699	1.7
97.02956	4.4
97.06629	4.4
101.02441	2.8
106.42709	1.7
109.06596	18.8
111.08189	2.2
115.81597	1.8
121.06651	2.5
122.03776	2.1
123.08176	4.3
125.02448	2.2
125.06012	1.9
135.04576	3.1
137.06116	10.6
161.09738	3.3
163.11298	3.3
173.06157	2.1
175.07776	1.8
177.09280	7.7
179.10789	12.9
180.80321	1.8
186.06795	2.5
189.09253	3.0
191.10809	4.1
201.09268	2.3
207.10254	2.1
213.09196	2.8
227.10735	3.3
249.14967	56.3
250.15395	5.1
255.10136	2.1
267.10376	2.3
273.11591	2.6
275.12946	4.2
283.13470	4.2
351.78757	2.0
363.19745	21.6
364.20139	2.0
367.19577	2.4
389.21152	4.3
391.19290	2.2
393.20627	2.5
401.21219	3.7
407.18463	5.4
407.22818	4.5
419.22192	7.7
429.19342	4.5
437.23334	13.4
451.20996	2.3
455.24408	6.0
463.21439	3.7
469.21222	5.7
481.22357	100.0
482.22769	12.0
499.23392	24.9
500.23642	4.1
525.21301	13.1
526.22278	2.8
543.22235	22.4
544.22827	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
57.03450	0.7
58.01791	0.5
59.01385	17.0
65.30361	0.5
68.02108	0.6
71.01389	11.5
71.29858	0.9
71.60009	0.5
72.99306	0.9
73.02966	2.9
74.12736	0.5
78.95899	0.7
80.96445	0.5
83.01392	2.0
85.02942	4.6
87.00876	0.9
89.02461	7.4
92.57123	0.6
95.01406	1.2
96.85747	0.7
99.00917	1.1
101.02454	9.7
113.02460	4.1
115.08405	0.6
119.03500	3.3
131.03514	0.8
161.04645	0.8
179.05600	0.6
191.05670	2.2
205.05054	0.8
244.59212	0.6
245.19113	0.8
250.18776	0.6
257.15485	0.7
273.18628	1.7
283.17380	0.7
301.80273	0.6
303.09109	0.6
319.19156	10.3
320.19476	0.7
337.20245	11.7
338.20865	0.7
345.16949	1.6
363.18039	3.8
499.25528	6.9
531.77856	0.6
543.24512	100.0
544.24872	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2581
Annotation	[1R-[1R*,2S*(Z),4S*,6R*,8R*(Z),9S*,10S*(Z),11R*]]-1,6-Dimethyl-9-(1-methylethenyl)-7-oxo-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,8,10-triyl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
59.01372	20.6
61.98810	7.3
69.31122	15.4
69.31519	42.7
70.58822	6.3
71.01385	16.8
75.56986	6.6
89.02458	18.7
89.75713	6.8
101.02461	19.0
113.02421	5.7
118.96452	7.0
131.03482	8.2
135.04584	9.4
149.04585	16.7
203.89284	6.0
249.14842	6.7
323.56726	6.9
436.60873	7.2
507.28403	8.5
543.25714	100.0
544.26160	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.3
59.01377	2.2
61.87503	0.6
61.98812	1.5
67.01891	0.7
69.03440	1.5
69.06932	3.6
69.07359	3.4
71.01372	2.1
71.05016	1.0
81.03463	0.8
83.05029	9.7
85.48387	0.6
87.00869	2.7
89.02448	1.4
93.03439	1.8
93.60361	0.8
95.05034	2.3
97.02900	1.1
97.06631	0.9
98.21826	1.5
99.00925	0.8
99.04527	3.1
105.07169	0.7
109.06607	1.4
111.04522	8.9
111.08154	1.7
121.06567	1.7
123.04556	1.3
123.08171	6.5
125.09746	3.4
133.06601	2.9
139.07657	100.0
140.07973	3.5
141.09190	3.7
151.07678	4.9
167.07092	1.0
169.08698	2.4
169.86485	0.7
177.09105	0.9
195.06700	0.9
203.10751	1.0
207.10255	1.2
213.07617	1.3
218.33330	0.6
225.11302	2.2
243.12370	1.4
317.16080	0.8
329.17474	1.6
359.18790	1.3
437.27087	4.3
441.22864	0.9
464.00397	0.7
471.27325	1.0
481.25995	7.6
482.26495	1.3
485.21649	1.0
497.25546	1.3
499.27032	9.1
500.27048	1.5
525.24780	2.9
543.26031	43.1
544.26367	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2603
Annotation	[1R-[1R*,2S*(Z),4S*,6R*,8R*(Z),9S*,10S*(Z),11R*]]-1,6-Dimethyl-9-(1-methylethenyl)-7-oxo-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,8,10-triyl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
55.01882	0.9
57.03451	4.4
59.01339	0.7
69.03458	3.6
69.50133	4.8
71.05019	2.2
76.83765	0.6
79.05524	0.9
81.03463	10.4
83.01377	0.9
83.05030	8.4
84.02168	2.7
85.02969	1.5
85.06596	0.9
93.03452	1.2
95.05024	1.8
96.36196	0.7
97.02954	5.2
97.06611	1.0
98.03767	1.2
99.04527	14.3
100.27376	0.6
107.05001	1.0
109.06584	5.7
109.19075	0.8
111.04534	5.4
111.08165	2.2
121.06600	2.3
123.04652	0.8
123.08153	0.7
125.02409	0.9
127.07666	1.5
129.09186	1.1
133.06519	0.8
135.63350	0.7
139.07658	6.2
143.03488	1.8
149.06059	1.0
151.07574	1.0
153.05498	1.1
157.08702	1.7
157.10182	0.9
173.09744	0.7
197.13330	0.8
199.06142	4.6
201.07668	4.1
213.16542	1.9
237.16495	0.9
239.14603	0.9
243.13948	1.9
253.15968	0.7
255.17543	1.7
267.17322	0.7
279.17746	1.0
297.18649	1.0
333.22229	0.8
341.17587	2.6
351.23340	1.1
357.25586	1.2
395.22305	1.2
413.23389	5.0
419.25696	2.0
423.21606	1.0
437.26965	10.7
441.22647	1.4
471.27298	3.7
481.26019	6.9
485.21863	10.3
497.25293	1.6
499.26913	10.1
500.27972	1.0
543.26031	100.0
544.26367	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
55.57317	0.7
57.03453	100.0
59.01386	89.3
59.35962	0.8
61.98850	6.1
67.33826	1.0
69.01022	6.9
69.01438	2.8
69.03454	1.7
71.01388	28.6
71.05018	1.5
72.99308	1.3
73.02959	9.2
77.38206	0.9
78.95884	0.9
81.03476	2.4
83.01405	3.9
83.05033	3.0
85.02962	11.9
87.00871	4.7
87.04485	1.1
88.48737	1.0
89.02450	9.6
93.03461	1.1
95.01414	1.6
95.05023	2.0
96.96027	3.2
96.96999	1.0
97.02958	1.9
97.06606	2.1
99.00906	3.9
99.04531	95.5
100.04881	0.9
101.02445	35.1
107.05037	1.6
111.00787	1.0
111.04546	2.2
111.08179	1.1
113.02457	10.6
119.03516	1.7
123.00916	1.5
123.08174	1.3
124.01686	1.7
125.02460	42.8
131.03558	1.9
137.02489	1.9
137.06017	0.9
139.04039	1.5
139.07715	1.7
143.03503	3.9
149.04597	2.1
151.04005	1.5
151.07646	1.8
159.03038	1.8
161.04587	12.7
179.07124	1.2
191.05676	1.3
209.11841	1.4
249.14998	2.9
307.19559	1.2
399.23889	22.7
400.24069	1.7
441.24738	3.6
461.05588	1.2
463.26849	1.3
481.27216	4.8
499.32681	3.7
525.25128	1.5
543.16779	2.0
543.25610	12.9
543.31799	13.9
544.32446	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00036	3.6
57.03449	4.5
61.98813	9.0
70.33071	4.8
70.33374	5.9
78.95909	63.9
135.98773	3.8
152.99577	34.4
192.98882	11.1
236.97777	3.9
315.80438	4.2
418.60019	4.6
421.51059	3.9
453.20276	11.5
485.32831	43.8
543.28558	100.0
544.28577	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03942	7.9
59.01365	18.6
61.98825	19.4
71.01379	17.8
72.99316	9.2
77.31262	8.1
80.36947	7.5
87.00869	16.3
90.99575	8.9
94.37545	8.6
97.02945	9.7
98.22054	51.7
101.02528	10.2
105.69575	8.4
126.99580	41.5
128.99278	38.0
137.06087	32.5
138.10812	8.7
149.04562	10.0
151.03192	9.0
163.07668	18.7
167.04424	11.9
167.06310	78.7
168.06689	12.5
169.06059	84.7
191.05591	10.3
211.05333	100.0
212.05675	10.5
213.04997	84.5
245.38065	8.5
249.14984	15.3
263.15347	8.5
298.01572	8.1
329.06393	16.2
331.06308	13.4
443.56812	9.1
499.32339	11.4
543.14099	30.9
543.22449	19.5
543.32117	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.333
Annotation	Luvungin F
Peak:m/z	Relative Intensity
57.03452	6.6
58.06223	2.2
59.01384	12.6
61.98831	6.4
70.92988	3.8
71.01395	4.6
73.03809	2.3
75.00888	5.2
83.25446	2.1
87.00898	4.6
102.45123	2.0
169.76823	2.5
313.81396	2.1
404.60471	2.0
472.15842	2.2
483.24042	3.0
483.31152	90.9
484.31375	8.4
485.32556	14.5
501.32260	100.0
502.32590	8.8
507.31052	3.3
512.85870	2.4
543.28186	43.0
544.29126	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3331
Annotation	Luvungin A
Peak:m/z	Relative Intensity
56.56891	0.6
57.18814	0.6
59.01385	100.0
66.36971	0.6
70.96354	1.6
74.23664	0.7
82.22393	0.6
88.28960	0.6
92.75195	0.5
116.43785	0.7
117.40204	0.6
335.06335	0.7
388.85904	0.7
407.06903	0.7
483.31329	1.0
543.33386	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3333
Annotation	Luvungin A
Peak:m/z	Relative Intensity
56.67879	1.2
59.01384	35.0
59.37736	1.3
60.48446	1.3
61.98843	6.2
64.16174	1.4
67.82790	1.2
99.04520	18.5
229.28761	1.7
245.68321	1.3
381.28082	5.2
399.28952	6.7
421.31580	2.2
439.32352	1.9
465.30206	6.5
483.31201	84.5
484.31531	8.8
543.33331	100.0
544.33588	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3332
Annotation	Luvungin F
Peak:m/z	Relative Intensity
57.03392	2.5
59.01323	9.3
59.01642	0.8
61.98769	0.4
62.06020	0.4
70.18378	1.2
71.18131	0.4
87.00813	1.5
96.49771	0.4
123.05011	0.6
147.46681	0.4
192.32936	0.4
287.63464	0.4
388.11398	0.5
437.30606	1.7
455.32010	0.6
483.31183	100.0
484.31543	9.6
501.32254	38.4
502.32767	4.4
526.59088	0.5
543.33295	20.6
544.33850	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89288	0.6
56.47549	0.6
59.01384	1.8
61.98837	100.0
63.43336	0.5
65.25647	0.5
69.19968	0.5
75.68401	0.6
80.05000	0.5
82.80095	0.5
98.22535	1.5
105.03330	0.6
168.50005	0.6
229.33586	0.9
509.25827	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.08758	21.5
98.22588	3.1
235.28546	2.1
270.41422	2.6
270.50568	2.2
302.26724	2.1
445.89841	2.2
452.24274	3.2
494.89691	2.4
572.61829	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.9
61.98833	100.0
71.30215	1.8
71.30602	1.9
71.89573	1.4
105.93116	1.4
183.12567	1.8
237.76585	1.6
240.27254	1.8
257.44592	1.6
372.33667	1.7
408.40698	1.7
498.06302	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.3
61.98835	100.0
68.93459	2.3
69.04490	18.4
78.95918	4.8
85.32455	2.3
143.21356	2.5
145.45526	2.5
157.68983	2.2
173.39174	2.4
255.66840	3.0
328.86444	2.7
428.58939	2.5
488.92783	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	12.6
61.98835	100.0
69.14314	57.4
73.01147	7.4
149.02342	7.8
162.83891	14.8
174.21089	7.2
345.54611	8.3
389.67068	8.3
470.14133	7.7
485.32428	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33492	0.7
58.03038	0.8
61.98834	100.0
69.73547	2.6
76.03541	0.8
76.18015	0.8
78.95929	1.0
80.02424	0.7
218.86852	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.0
71.01374	0.6
79.95741	3.0
85.02964	0.4
89.02441	0.6
92.91331	0.3
96.96018	100.0
97.95967	0.5
98.22625	0.5
101.02448	0.7
107.01389	0.3
113.02436	0.6
121.02972	0.3
131.03485	0.4
149.04581	0.3
151.00351	0.8
161.04636	0.5
191.05682	0.6
255.03001	0.8
271.02524	1.8
300.02744	3.8
301.03522	3.2
302.03818	0.4
371.15329	0.2
371.20505	0.4
399.00162	0.9
447.09366	5.2
447.15121	0.4
448.09457	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79416	8.4
67.29153	9.2
69.01819	100.0
88.83871	9.6
114.86558	9.9
158.11507	10.1
280.07645	9.7
435.44254	11.8
509.25409	17.9
521.12244	12.7
545.22955	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18403	3.5
51.29778	3.7
57.03456	18.1
59.01390	37.1
61.98872	6.6
67.01886	5.8
69.03452	5.2
70.87272	3.7
71.01392	12.0
71.31635	6.5
72.99310	24.9
73.02946	5.9
76.65919	3.6
81.39839	4.1
85.02962	18.0
87.00896	23.5
89.02443	4.1
93.03480	30.2
95.88898	4.1
97.02980	12.8
98.22213	7.2
99.04525	21.5
101.02460	9.4
109.02941	5.1
111.04544	9.6
113.02444	5.4
125.02492	8.9
127.04047	4.4
137.02472	4.4
137.06104	12.6
139.07635	6.0
155.03580	4.6
155.04961	3.9
159.04506	4.7
172.05330	13.8
173.04555	27.7
173.06064	9.3
174.06839	6.0
177.01872	4.7
186.06888	14.0
187.07719	15.5
191.05641	100.0
200.04747	6.4
201.05537	14.3
201.09233	16.6
211.07745	6.3
214.06447	12.1
215.07143	52.0
229.08669	32.8
230.09418	10.0
256.07446	11.6
274.08539	12.8
327.16028	7.2
371.15012	9.0
448.09607	4.3
474.80862	4.0
545.22186	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16122	3.5
53.87776	3.2
57.03458	9.1
59.01398	19.6
61.98826	9.8
68.99857	4.2
69.03465	8.8
71.01386	11.3
72.99297	5.8
75.00881	7.3
81.03480	7.0
82.23705	3.5
83.05022	8.5
85.02968	9.4
87.00895	19.5
89.02472	12.0
89.56319	3.5
93.03488	5.9
93.18388	3.3
93.25712	3.2
95.04996	4.6
97.02969	20.6
99.04535	10.8
101.02470	10.0
111.04495	3.1
111.08183	5.3
126.03270	5.1
133.02992	10.2
134.03773	8.5
135.04512	6.2
135.08244	3.4
137.02455	9.9
137.06117	12.3
139.07668	24.8
155.03505	4.1
155.07211	5.1
159.04504	6.1
160.84305	4.0
173.04630	7.1
173.06027	5.8
177.01935	3.8
179.03554	7.1
186.06891	6.8
187.07710	14.2
191.05618	8.3
201.05664	11.1
201.09314	11.4
212.08400	3.8
214.06386	9.7
215.07172	13.2
229.08794	23.7
229.26407	4.3
230.09557	11.4
253.09273	7.7
274.08655	7.3
291.19769	8.7
309.20764	28.4
310.21146	4.8
323.07700	8.2
355.23325	3.9
371.15231	8.4
376.99060	4.2
383.11761	3.7
398.91074	4.3
448.10251	20.6
483.27786	3.9
487.23044	4.3
501.28622	13.9
509.25259	8.5
527.26843	7.0
545.27551	100.0
546.27985	10.9
550.77826	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2314
Annotation	Manumycin F
Peak:m/z	Relative Intensity
57.03415	10.6
59.01382	20.4
64.90340	9.2
71.06372	15.0
72.99315	15.3
84.04296	7.9
97.03002	11.9
101.06693	11.0
112.66499	9.2
124.23769	9.5
239.52487	10.1
346.30911	9.5
411.69446	10.5
425.47031	11.7
527.22321	11.6
545.22809	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09132	1.7
56.44535	1.3
57.00650	1.5
57.03441	4.9
59.01382	14.7
61.57518	1.5
61.98839	8.3
69.03461	2.3
69.92137	2.9
69.92518	3.3
71.01392	7.0
72.99320	1.7
73.02942	4.5
75.00855	1.6
81.03455	2.5
83.05013	4.6
85.02944	5.5
87.00874	14.8
89.02464	8.4
93.03440	2.3
95.05075	1.8
97.02936	4.5
97.06590	1.6
99.00916	2.8
99.04523	3.9
101.02438	4.2
101.20220	1.4
109.06590	2.1
111.00845	2.5
111.04494	2.7
113.02453	5.1
123.08173	3.7
123.39481	1.5
125.02448	3.9
125.06060	2.5
128.99228	1.7
131.03481	1.8
137.02509	2.6
137.06068	2.2
139.07657	10.3
141.09207	5.0
155.03419	2.5
161.02449	1.8
161.05943	1.3
163.07655	2.1
169.06065	1.7
170.69200	1.5
173.04536	4.5
181.12221	1.9
186.06833	5.1
187.07645	3.3
191.05614	5.1
200.04738	1.9
201.05582	2.4
213.05077	5.7
214.06299	5.6
215.07120	6.5
215.14467	1.8
227.10645	1.5
229.08661	6.3
230.09377	2.0
233.15422	1.6
251.06920	1.7
251.16548	4.8
255.22878	1.5
273.18588	1.9
291.19580	3.2
299.86856	1.5
309.20703	3.7
311.12946	1.8
353.13943	2.1
371.14948	2.8
436.31320	1.6
443.24237	2.0
457.17053	3.9
459.27518	5.8
483.27209	2.6
487.23694	2.1
501.28268	5.3
503.26416	4.0
527.27490	2.8
545.27502	100.0
546.27924	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09132	1.7
56.44535	1.3
57.00650	1.5
57.03441	4.9
59.01382	14.7
61.57518	1.5
61.98839	8.3
69.03461	2.3
69.92137	2.9
69.92518	3.3
71.01392	7.0
72.99320	1.7
73.02942	4.5
75.00855	1.6
81.03455	2.5
83.05013	4.6
85.02944	5.5
87.00874	14.8
89.02464	8.4
93.03440	2.3
95.05075	1.8
97.02936	4.5
97.06590	1.6
99.00916	2.8
99.04523	3.9
101.02438	4.2
101.20220	1.4
109.06590	2.1
111.00845	2.5
111.04494	2.7
113.02453	5.1
123.08173	3.7
123.39481	1.5
125.02448	3.9
125.06060	2.5
128.99228	1.7
131.03481	1.8
137.02509	2.6
137.06068	2.2
139.07657	10.3
141.09207	5.0
155.03419	2.5
161.02449	1.8
161.05943	1.3
163.07655	2.1
169.06065	1.7
170.69200	1.5
173.04536	4.5
181.12221	1.9
186.06833	5.1
187.07645	3.3
191.05614	5.1
200.04738	1.9
201.05582	2.4
213.05077	5.7
214.06299	5.6
215.07120	6.5
215.14467	1.8
227.10645	1.5
229.08661	6.3
230.09377	2.0
233.15422	1.6
251.06920	1.7
251.16548	4.8
255.22878	1.5
273.18588	1.9
291.19580	3.2
299.86856	1.5
309.20703	3.7
311.12946	1.8
353.13943	2.1
371.14948	2.8
436.31320	1.6
443.24237	2.0
457.17053	3.9
459.27518	5.8
483.27209	2.6
487.23694	2.1
501.28268	5.3
503.26416	4.0
527.27490	2.8
545.27502	100.0
546.27924	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27367	1.8
57.03448	9.5
58.51617	2.3
59.01395	18.1
66.06422	2.2
67.01900	2.8
69.03457	7.7
69.13729	9.9
69.14154	11.3
71.01398	11.4
72.99300	12.0
73.02939	4.0
78.95898	8.2
81.03461	4.2
83.01387	3.1
83.05032	20.5
85.02972	15.3
87.00911	3.3
89.02433	5.3
91.05547	2.5
93.07115	6.6
95.05018	4.9
96.96007	9.0
96.96967	13.8
97.02976	13.8
97.06602	5.3
101.02464	5.1
105.07121	5.1
107.05050	6.1
107.08715	2.0
109.02956	5.6
109.06608	9.7
111.08159	7.3
112.01665	2.5
112.96831	2.1
113.02444	4.5
121.06606	10.2
123.08170	11.5
125.02451	6.9
125.06146	5.5
126.61320	2.4
127.04006	3.4
129.05621	3.9
131.08664	5.9
133.06610	5.1
135.04550	2.4
135.08199	5.5
137.06099	17.3
137.09755	3.7
139.07654	2.6
147.08153	5.2
149.06071	2.1
149.09744	9.0
151.07465	2.7
153.05585	6.7
155.07133	2.7
161.06105	3.3
161.09686	3.2
163.11314	10.1
164.11638	4.4
165.09203	4.1
173.09760	4.7
175.07748	2.8
177.09218	3.4
189.09230	3.7
189.12955	4.1
191.10783	4.3
191.14319	2.8
199.11276	3.6
216.28867	2.4
223.11359	2.6
227.10686	2.3
249.12910	3.9
251.14297	3.5
251.16582	17.9
253.12308	4.2
277.12296	2.7
279.13889	4.3
281.15405	3.8
291.13873	3.4
293.15497	6.3
295.13391	2.2
309.14951	2.6
311.16550	3.4
324.45911	2.5
403.22824	13.3
421.23926	15.5
425.19321	2.5
439.25162	3.9
447.21753	8.4
465.22736	23.3
483.23822	16.4
491.20700	5.1
501.24512	3.7
509.21851	100.0
510.21741	11.2
527.22864	44.0
545.24408	51.4
546.24603	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24982	0.5
57.03457	4.3
59.01386	10.7
61.98848	0.9
67.01900	0.8
69.03461	6.7
71.01387	10.6
71.05029	2.6
72.99310	9.0
72.99671	0.9
73.02962	2.5
75.00893	1.5
81.03474	0.6
82.95425	2.0
83.01403	1.2
83.05045	0.9
85.02959	3.3
85.06605	0.7
87.00888	2.2
89.02461	7.7
93.03476	3.2
93.07096	0.6
94.04276	0.7
95.05032	3.7
97.02962	6.9
97.06656	1.0
98.21959	2.9
98.22630	1.0
99.00867	0.9
99.04518	10.2
101.02452	2.9
107.05038	1.5
108.02145	0.6
109.02955	1.4
109.06624	2.2
111.04530	1.1
111.08185	0.6
113.02465	1.9
119.03551	0.8
120.74155	0.5
121.06596	1.0
122.03767	3.1
125.02482	3.0
125.06109	0.8
125.09711	0.7
131.03531	2.9
135.04539	1.1
137.06097	24.8
138.06413	0.6
139.07716	1.3
141.09196	1.3
143.03397	0.8
147.08206	0.6
149.04578	2.1
149.06157	0.8
149.09737	0.6
151.07661	1.1
159.08136	0.5
161.04613	0.7
163.11302	0.8
173.04611	1.7
173.09625	0.6
177.02003	0.5
179.14497	0.6
187.07712	0.9
191.05659	8.4
191.10791	0.8
191.14458	1.0
203.10786	0.9
214.06384	0.8
229.26945	0.7
231.13896	1.5
243.13882	0.8
251.16536	100.0
252.16861	4.7
293.08795	1.0
327.15863	0.7
343.18915	0.7
367.19144	0.8
385.20221	1.2
389.16019	0.9
390.16763	0.8
413.21484	0.9
447.19992	0.8
457.21481	0.8
471.20340	4.7
503.77063	0.6
527.22864	4.7
545.24127	44.6
546.24298	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.24
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.2
59.01383	5.3
66.07974	0.7
66.10926	0.7
66.15376	0.6
67.01862	1.0
69.03098	1.1
69.03462	19.6
71.01384	5.6
72.99288	0.7
73.02950	1.5
78.95907	0.8
83.01383	0.8
84.18268	0.6
85.02959	6.0
89.02448	2.6
90.03540	0.7
95.01406	0.7
96.96972	1.6
97.02958	100.0
98.03306	1.3
98.22028	3.5
99.00861	0.9
101.02437	4.5
107.33208	0.7
109.02988	0.7
113.02464	2.9
121.02911	1.0
123.04541	0.7
131.03508	1.4
135.04543	2.0
136.05363	0.6
137.06068	1.0
156.05850	0.8
161.04614	1.8
163.07646	0.6
174.06940	0.6
207.17537	1.0
217.12296	1.1
225.12930	0.7
242.13132	0.7
251.16487	4.9
265.15915	1.7
283.17038	0.9
319.15475	1.2
327.16089	2.3
369.22861	3.0
383.15176	1.5
385.20221	10.6
386.20862	0.7
387.33749	0.8
395.25943	0.8
400.89325	0.8
403.21329	2.7
439.24774	3.0
483.23911	26.3
484.24384	2.8
507.22797	1.4
527.24280	0.7
545.26105	13.5
546.26532	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77412	1.1
55.01876	2.3
57.03436	2.7
58.00576	1.3
59.01381	45.4
60.01699	1.4
61.98846	4.4
61.99105	0.9
67.37473	0.9
69.03469	1.0
71.01384	30.7
71.05010	0.8
72.99295	2.7
73.02952	5.8
75.46289	0.9
78.95893	3.1
80.96535	1.0
81.03435	1.0
81.75217	0.8
83.01384	3.1
83.05013	2.1
85.02951	10.1
87.00894	6.8
89.02449	30.7
93.03443	2.7
95.01389	2.3
96.96021	9.1
96.96947	5.5
97.02947	3.0
97.06612	1.3
99.00867	5.1
99.04527	2.2
101.02448	20.3
107.05067	1.1
111.04478	1.2
113.02465	8.2
119.03511	6.1
119.90680	0.8
125.02458	3.7
129.01929	2.0
131.03508	36.3
132.03842	1.3
137.06100	1.6
139.07690	4.2
141.09290	1.3
142.20650	0.9
143.03484	1.8
149.04544	7.9
151.07596	1.3
157.53938	1.0
161.04573	2.2
169.06619	0.9
173.04543	2.5
187.07689	1.7
189.16489	1.8
191.05621	27.4
205.15829	1.2
213.05589	2.1
214.06281	1.6
215.07140	1.5
229.08469	1.2
251.16582	9.1
327.15967	2.5
353.13611	1.1
371.14938	3.1
371.20663	1.4
413.21777	2.5
453.26532	1.0
501.28394	1.2
527.25562	1.2
545.26093	100.0
546.26489	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67712	0.8
55.01860	1.3
57.03452	4.2
58.00583	1.3
59.01382	31.1
61.98840	4.3
69.03448	2.5
71.01392	27.6
71.05011	6.4
72.99300	2.0
73.02950	5.7
75.00924	1.0
81.03421	1.1
83.01387	3.9
83.05041	2.1
85.02956	10.2
86.77142	0.8
87.00883	8.5
89.02452	42.1
93.03465	1.1
95.01408	1.7
97.02985	4.0
99.00911	3.5
99.04550	1.3
101.02440	14.0
109.02946	1.0
109.06626	1.2
111.04533	1.5
111.08176	6.7
113.02460	7.4
119.03525	3.4
123.04520	0.8
125.02449	6.4
131.03526	10.8
135.04602	1.6
135.75493	0.8
137.09723	7.9
139.07661	2.5
139.11275	1.7
143.03531	2.4
149.04546	3.9
151.04045	0.9
151.07642	0.8
159.08165	0.9
161.04593	1.9
173.04536	2.5
173.05923	1.3
183.04582	0.9
186.06895	2.4
187.07640	1.4
191.05627	11.4
200.04683	0.9
201.05603	1.8
201.09262	1.4
203.10614	0.9
214.06288	4.6
215.07095	1.9
229.08688	3.5
251.16541	72.0
252.16866	3.2
255.13792	1.4
283.13412	1.3
293.08820	2.7
311.13089	1.0
327.16061	2.7
353.13800	1.1
371.15030	2.8
380.91510	0.8
413.21979	1.8
501.28711	2.1
545.26477	100.0
546.26758	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77111	0.2
54.06874	0.2
56.89799	0.2
57.03452	3.4
58.00594	0.4
59.01385	4.5
59.98536	0.4
61.98818	0.3
68.78337	0.2
69.03095	0.3
69.03462	4.9
69.82621	0.3
69.83028	0.8
71.01394	5.1
71.05022	2.1
72.99296	0.2
73.02942	0.8
81.03441	0.3
82.95406	0.3
83.01384	0.2
83.04999	0.3
85.02950	0.9
85.06596	1.1
87.00883	0.5
89.02454	6.0
95.01379	0.3
97.02962	0.7
98.21867	0.4
99.00900	0.5
99.04533	8.5
101.02453	2.0
113.02480	1.1
125.02460	2.2
126.04528	0.2
131.03516	1.2
139.07733	0.3
143.03560	0.2
149.04581	1.8
161.04562	0.5
161.95720	0.2
179.14436	0.3
181.12405	0.5
191.05598	0.6
191.14478	0.5
193.85213	0.2
210.67456	0.2
227.12802	0.2
251.16536	100.0
252.16866	5.2
293.08801	1.0
512.69360	0.3
543.90967	0.2
545.26440	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80182	1.4
57.03445	5.8
59.01381	11.0
61.98830	8.3
68.52129	1.6
69.03441	2.3
71.01363	2.6
71.05023	2.5
72.99317	4.3
75.00865	8.4
81.03448	4.7
83.05032	4.1
84.02259	1.5
85.02953	4.5
87.00890	9.4
88.01019	1.3
89.02428	1.8
93.03487	2.2
95.05036	3.1
97.02961	4.7
98.21696	1.9
99.04513	12.0
107.05052	2.0
109.02961	1.5
109.06592	2.5
111.04514	2.9
111.08174	2.1
118.23847	1.4
121.06606	11.9
123.04518	1.8
123.08174	5.1
133.06606	2.9
134.87476	1.5
137.06090	2.5
138.06894	2.4
139.07660	6.2
151.07565	2.0
151.55750	1.4
173.04597	3.4
191.05603	1.9
201.07707	1.7
229.24249	1.5
257.19171	3.1
269.19168	2.1
271.17047	3.7
299.20105	3.4
309.20804	3.8
315.16132	6.8
323.24173	1.7
335.23990	1.7
391.26364	3.3
421.27826	1.7
427.25168	1.7
435.25574	4.0
437.27289	2.0
439.28528	3.1
465.26447	4.3
483.27548	6.0
487.23145	4.8
499.27060	5.3
501.28583	9.2
509.25308	3.3
527.26349	4.5
545.27588	100.0
546.28198	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96743	0.4
56.68250	0.5
57.98070	0.5
59.01382	100.0
59.21735	0.4
60.01718	0.8
61.98846	2.7
71.31856	0.6
71.32211	0.5
72.18424	0.5
83.24776	0.4
87.00912	0.8
97.02968	0.6
99.04568	0.5
126.03255	0.6
164.03348	0.5
180.26247	0.4
196.21758	0.4
199.59000	0.5
297.71884	0.5
378.60733	0.5
435.33011	0.6
545.28058	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98828	2.6
69.11034	1.4
69.11430	6.4
99.04539	1.8
167.81776	0.8
217.59766	0.7
289.74573	1.1
467.31482	2.1
469.28424	0.9
485.32953	1.9
545.27039	1.1
545.34949	15.6
546.35358	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.1
57.98071	1.1
59.01369	4.4
61.98831	9.1
69.03447	5.8
71.01369	1.2
72.99320	7.2
73.02953	1.6
75.00883	2.2
83.05038	23.1
84.02174	1.5
84.68239	1.2
85.02957	1.7
87.00886	29.3
93.03458	1.2
95.05038	3.7
95.08680	2.1
97.02964	5.8
97.06620	1.3
98.22546	2.8
99.04560	2.6
105.01881	1.7
107.05013	3.8
121.06625	2.0
123.08238	1.2
127.04030	20.1
135.08189	1.9
137.06065	1.7
138.06888	1.4
139.07663	2.3
145.97711	1.0
185.08200	12.4
211.75276	1.3
243.13890	4.4
279.17441	2.0
299.16559	1.4
309.20837	2.1
319.20639	4.2
335.23981	1.5
341.17584	3.5
352.18890	1.2
361.21790	1.5
363.19751	11.4
367.82739	1.1
379.22708	3.6
381.20807	2.2
389.21384	1.3
397.24084	1.4
425.23557	1.3
451.21454	1.3
455.28012	7.7
469.22183	3.0
483.27731	1.3
501.28635	1.8
511.92856	1.4
527.26581	23.2
528.27020	2.8
545.27588	100.0
546.28064	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60829	9.8
57.03442	42.4
59.01383	100.0
61.39419	12.2
71.31301	14.8
75.00847	13.3
84.82659	9.6
85.02968	13.4
87.00895	26.2
97.06592	12.0
99.04525	23.1
101.01505	11.4
139.07640	14.0
191.05693	58.5
224.12424	9.7
234.07941	11.2
257.19128	14.8
257.27573	12.8
291.19806	19.7
299.20230	39.6
301.18106	14.5
309.20731	35.3
343.19205	53.8
344.19757	10.7
362.19824	11.5
383.22537	17.1
401.23370	13.8
423.25455	17.1
480.39667	12.0
545.27063	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.276
Annotation	CHEBI:70545
Peak:m/z	Relative Intensity
57.03453	11.2
61.98822	1.7
69.53791	2.7
69.54198	2.2
72.99313	22.8
75.00877	10.3
82.47687	0.8
84.44782	0.8
87.00883	12.4
95.05039	1.8
97.06596	4.9
98.21882	1.0
99.04513	2.7
99.08135	0.8
111.13603	0.8
121.06567	1.3
125.06084	1.1
137.06075	2.0
138.06905	1.4
158.84679	2.5
193.50461	0.8
257.19122	2.8
271.20554	1.5
299.20160	9.5
300.20520	1.5
339.23340	9.8
343.19516	1.0
351.26907	0.9
379.26279	1.2
380.18384	1.5
381.28217	1.0
443.28027	30.0
444.28363	3.9
469.25687	1.4
471.27344	3.7
487.27014	51.3
488.27332	5.2
501.28568	2.9
532.13409	1.0
545.27570	100.0
546.27783	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.2
57.03441	4.1
59.01097	1.6
59.01384	23.7
61.98841	9.5
69.03436	4.4
69.09184	6.6
69.09615	8.3
71.01390	18.9
71.05019	6.2
72.99306	4.4
73.02950	9.8
75.00868	1.9
82.58409	1.6
83.01345	1.7
83.05025	5.7
85.02966	9.6
87.00889	38.9
87.04514	2.5
89.02452	38.4
93.03453	6.7
95.05046	4.2
97.02950	7.1
97.06589	3.6
98.63295	1.8
99.00882	3.8
99.04515	5.9
101.02447	6.9
109.06579	1.7
110.59072	2.2
111.04535	8.3
113.02441	3.5
121.06616	3.0
121.10170	2.1
123.04584	3.1
123.08171	4.5
125.02434	2.9
127.04051	3.7
131.03517	5.5
133.02979	3.2
135.04535	1.7
135.08199	2.4
137.02428	5.7
137.06096	3.3
139.07675	23.2
141.09236	11.8
149.04607	2.4
149.06157	1.8
155.03494	6.3
158.03706	2.3
159.03049	2.0
159.04518	6.8
161.04622	2.4
172.05278	7.0
173.04529	16.2
173.06056	8.2
174.06731	4.3
177.01907	4.7
177.12820	3.2
179.03531	2.1
185.09714	2.4
186.06882	14.1
187.07635	15.8
189.09195	2.4
191.05583	11.5
191.10837	3.4
200.04825	8.5
201.05594	13.3
201.09250	8.9
211.07550	3.1
214.06374	28.2
215.07138	28.7
216.07491	3.3
229.08714	32.1
230.09480	12.3
250.15295	2.3
251.16624	3.9
274.08459	8.1
283.13281	1.9
284.61246	1.9
309.20642	3.4
311.12997	5.1
315.25198	2.0
327.16159	5.0
345.26538	5.3
371.15005	13.2
383.24582	4.1
407.22269	2.7
448.09924	5.7
457.29825	2.7
483.27844	3.1
487.22781	2.4
501.28720	12.1
501.35013	2.7
502.28610	2.8
527.26556	4.5
545.27472	100.0
546.27783	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2763
Annotation	CHEBI:70545
Peak:m/z	Relative Intensity
57.03447	2.3
58.00578	1.1
59.01382	6.6
59.35364	0.3
61.98819	1.0
69.03445	0.6
71.01401	1.8
71.05005	0.6
72.99317	0.7
73.02940	1.3
75.00886	0.6
81.03471	0.6
83.01375	0.3
83.05025	1.7
85.02956	2.4
87.00884	2.9
89.02460	1.9
91.52740	0.3
93.03455	0.5
93.07134	0.3
95.05031	0.7
97.02964	1.3
97.06602	1.1
99.04533	2.5
101.02445	1.1
107.04998	0.4
107.08678	0.4
109.06601	0.8
111.00864	0.7
111.04527	0.7
113.06059	0.4
119.08703	0.5
121.06594	0.8
123.08134	0.7
125.06074	0.6
127.04014	0.7
129.01933	0.3
131.03479	0.9
135.08150	0.9
137.06059	0.5
137.09740	0.7
139.07655	8.4
143.08652	0.5
145.06619	0.4
145.10246	0.9
147.08214	0.6
149.04547	1.6
149.09752	0.5
150.06424	0.4
159.04547	0.4
159.08138	0.6
161.04588	0.4
161.09706	1.4
161.96129	0.4
165.09311	0.4
173.04561	0.8
173.06041	0.7
173.09682	0.5
175.11333	0.8
185.09731	0.8
185.13383	0.6
186.06924	0.6
187.07658	0.8
187.11293	2.2
191.05634	1.5
199.11368	0.5
201.05554	0.7
201.09251	0.9
214.06325	1.3
215.07111	2.2
219.10291	0.4
220.54025	0.3
227.14458	0.4
229.08688	1.3
229.12404	0.8
230.09325	0.5
243.10291	0.8
245.11908	0.4
251.16447	0.6
274.08463	0.6
295.20770	0.4
297.18741	0.5
303.23029	0.4
309.20804	0.6
327.15921	0.5
328.16388	0.5
339.23322	0.4
355.23019	1.0
359.18552	0.4
361.25809	0.5
363.23257	0.5
371.15292	0.5
379.26321	0.8
399.21750	0.4
423.25461	0.6
441.26434	0.7
448.09918	0.7
459.27536	2.2
460.45300	0.4
483.27863	0.4
485.25656	0.5
501.28601	1.6
503.26575	8.1
504.27170	0.8
527.26703	0.5
545.27594	100.0
546.27960	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2765
Annotation	CHEBI:70545
Peak:m/z	Relative Intensity
54.43874	1.3
54.50430	1.4
57.03438	4.0
59.01377	11.8
61.98829	5.5
62.13524	1.1
68.09688	1.2
69.03452	5.4
71.01392	10.0
71.05059	1.2
72.99323	2.0
73.02940	3.9
79.05559	1.3
81.03466	4.5
81.11469	1.2
83.05022	3.2
84.02161	1.8
85.02953	4.0
87.00876	2.6
89.02459	7.8
93.07059	2.8
95.05051	3.0
97.02984	6.3
97.06593	2.1
99.00906	2.2
99.04539	5.5
101.02461	5.1
105.07101	1.8
107.05062	2.6
109.02976	6.6
109.06588	6.8
111.00888	1.8
111.04536	1.6
111.08181	1.8
113.02444	3.4
116.92868	1.9
119.03543	1.3
119.05080	1.3
121.06602	3.3
123.04527	1.6
123.08230	1.4
125.02467	7.0
125.06075	2.0
126.90365	1.9
131.03545	2.6
135.04567	1.8
135.08186	5.9
137.02477	2.0
137.06111	13.9
137.09746	5.0
139.07686	1.3
147.08159	3.8
149.04565	2.1
149.09738	2.0
151.00371	1.6
151.07617	2.4
153.05591	11.3
153.09274	1.6
154.06381	8.5
155.07153	2.5
161.04578	1.7
161.09703	2.0
163.04056	1.4
167.03540	1.8
173.04604	2.5
173.06000	2.1
173.09708	3.8
175.07632	2.5
185.09737	3.1
187.04077	1.9
187.07617	2.6
187.11292	2.2
191.05634	4.7
203.08336	1.9
211.07658	1.3
211.11484	1.5
213.09254	1.8
215.07156	4.1
215.14450	2.6
218.09528	3.2
227.14406	9.5
229.08710	1.5
251.16550	6.8
257.08078	1.7
281.19296	1.5
283.13486	3.5
283.16953	2.7
287.76068	1.4
309.15036	2.6
315.19742	2.0
327.16025	4.3
339.17136	1.7
345.22217	3.1
346.21561	1.4
348.21033	2.0
353.13834	2.0
363.23282	6.3
366.22278	1.9
371.14935	5.7
381.24530	3.9
382.24918	1.5
383.16071	3.1
399.25534	9.1
407.22272	2.8
413.21777	3.2
414.05902	1.4
425.23300	7.0
443.24448	25.3
444.25253	1.8
451.21597	2.1
457.29669	3.6
469.22266	5.8
471.27603	2.7
483.28018	6.7
487.23209	7.3
493.49185	1.4
501.28607	100.0
502.29053	11.6
527.26416	1.9
545.27411	35.3
546.27710	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
57.03467	1.8
58.00573	1.0
59.01098	1.2
59.01386	19.2
61.98816	1.7
69.03453	2.0
69.07000	5.7
71.01386	13.3
72.99306	2.8
73.02960	2.5
83.01380	1.9
83.05006	1.4
84.25818	0.8
85.02966	5.9
87.00890	6.8
89.02451	13.3
93.03466	5.6
95.05051	0.9
97.02949	2.7
98.21870	2.9
98.22551	1.5
99.04520	1.2
101.02453	14.6
109.06596	1.5
111.04542	2.2
111.08168	21.3
113.02469	6.3
119.03496	3.6
131.03531	0.9
137.06035	1.3
151.11273	1.5
153.12904	1.6
155.03526	1.4
158.03735	0.9
159.04549	2.2
161.04611	5.8
165.23201	0.8
165.43040	0.9
169.12373	9.3
172.05179	1.1
173.04617	6.1
173.05945	1.7
174.06870	2.7
179.05647	1.9
179.10797	1.3
181.12392	1.9
186.06918	3.0
187.07652	4.8
188.08380	1.0
189.09235	1.3
191.05638	20.4
195.10245	1.0
197.11859	97.5
198.12135	5.1
199.13344	6.8
200.04828	2.6
201.05606	3.1
201.09254	2.7
209.11903	1.1
211.13411	8.3
212.08371	1.4
214.06366	1.6
215.07126	11.8
227.12947	2.6
229.08687	7.1
229.83336	1.0
230.09416	3.0
253.09317	50.7
254.09581	1.2
255.06596	1.3
256.07516	4.3
263.20157	4.8
265.18106	3.4
270.22296	0.9
272.82953	1.1
273.18585	2.1
274.08551	2.6
291.19672	28.8
292.20068	1.9
309.20737	100.0
310.21188	5.7
353.13776	1.1
371.14902	2.1
371.49167	1.1
385.43472	0.9
545.21722	4.4
545.28015	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11934	0.9
53.72215	1.1
55.01869	1.7
57.03430	2.7
59.01379	19.2
61.98811	1.9
69.03452	1.3
70.95847	1.1
70.96193	1.8
71.01384	11.8
72.99298	2.8
73.02943	2.8
81.03444	2.4
83.01400	1.1
83.05032	2.7
85.02936	4.3
87.00890	6.2
89.02454	11.6
93.03447	2.6
93.07095	1.4
95.01382	1.3
97.02946	3.0
99.04524	2.5
101.02442	13.6
109.06584	2.1
111.04528	1.5
111.08168	22.7
113.02441	6.4
119.03490	4.0
123.08178	1.7
125.02472	1.2
127.07646	1.0
131.03540	1.7
135.04430	1.2
137.02390	1.3
137.05988	1.1
137.09793	0.9
139.07649	6.1
143.03464	1.3
145.03052	1.1
159.04504	2.9
161.04568	4.9
163.11234	0.9
169.12343	8.3
172.05244	2.0
173.04530	6.2
173.05942	1.6
174.06830	2.5
175.07706	1.0
176.48819	1.1
177.01970	1.9
178.04840	1.0
179.05611	2.2
181.12343	1.4
183.14005	1.1
186.06818	1.9
187.07605	7.2
189.09238	1.3
191.05637	1.6
197.11835	100.0
198.12140	4.0
199.13403	6.8
200.04774	2.6
201.05553	3.9
201.09204	3.5
211.13432	7.8
214.06364	1.5
215.07140	14.1
216.69116	1.0
224.65022	1.1
227.12943	3.5
229.08725	8.0
230.09344	3.4
253.09293	50.5
263.20148	4.8
265.17999	2.6
266.07098	0.9
274.08542	2.6
291.14639	1.0
291.19672	28.0
309.20724	91.2
310.20956	4.8
371.14792	2.2
473.29025	1.0
487.23273	1.2
501.28329	2.0
503.26187	1.5
545.20789	1.8
545.27515	42.1
546.28192	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91763	1.6
57.03451	89.2
59.01383	80.6
60.00551	1.6
61.98820	6.7
69.03453	3.2
71.01386	25.1
71.05031	2.2
72.99317	3.7
73.02943	7.7
75.00861	2.8
81.03428	4.1
83.01379	3.9
83.05032	3.6
85.02956	15.7
85.20203	1.6
87.00893	15.9
89.02462	12.3
93.03453	4.1
95.01415	2.3
97.02945	3.5
97.06593	2.5
99.00863	2.1
99.04527	100.0
100.04790	1.8
101.02454	32.0
107.05077	1.9
109.02954	2.5
110.58563	1.8
111.04500	4.3
111.11390	1.8
113.02466	8.9
125.02449	30.0
125.06025	1.6
125.09698	1.8
127.03979	2.0
137.02432	3.2
139.07658	22.3
140.08015	7.1
143.03490	3.3
149.04576	4.5
155.03554	2.6
159.04556	3.7
161.04568	7.3
172.05336	4.8
173.04562	11.2
173.06068	6.2
174.06865	3.4
177.01945	4.8
186.06918	6.2
187.07637	10.7
189.09077	2.0
191.05676	6.8
191.10843	3.7
195.02914	1.6
200.04767	3.7
201.05583	12.0
201.09178	8.2
209.11876	2.0
211.07654	2.7
214.06415	9.7
215.07147	20.5
229.08725	22.5
230.09424	6.3
231.16377	2.4
251.16579	3.9
274.08444	6.7
309.20700	4.9
327.16193	1.9
371.14917	6.1
383.11407	7.3
401.25363	13.5
411.95764	2.0
443.26410	6.4
445.24277	2.8
472.53653	1.9
501.28265	7.2
527.26276	3.1
545.27759	74.7
546.27893	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3487
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
53.09815	0.4
54.72309	0.4
56.95223	0.4
57.03455	2.1
59.01098	0.7
59.01382	12.6
61.92784	0.4
69.02615	1.1
69.03035	2.8
98.22491	0.7
99.04530	6.0
137.99881	0.4
212.52234	0.4
230.45642	0.4
383.29514	1.4
401.30786	2.0
403.28629	0.9
407.40497	0.4
409.27045	0.4
423.32764	1.3
427.28568	0.6
433.81360	0.5
434.05356	0.4
441.34052	1.9
441.38879	0.4
467.31705	12.2
468.32025	1.4
485.32721	17.0
486.33072	2.3
527.33710	1.9
545.34869	100.0
546.35260	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25615	0.4
57.03457	3.4
59.01145	0.5
59.01385	6.8
60.85862	0.4
61.98832	2.2
62.05960	0.4
62.88084	0.4
70.64053	1.4
71.01390	9.1
71.12154	0.4
78.24140	0.4
91.40390	0.5
99.04530	5.9
101.45204	0.5
127.38401	0.4
131.25150	0.5
192.22389	0.4
215.65581	0.5
353.24957	0.6
355.45770	0.4
383.29559	1.3
387.86179	0.4
401.30652	1.3
403.28568	1.6
409.27682	1.2
413.30664	9.3
427.28540	1.9
441.33655	2.8
454.39322	0.5
457.33435	0.6
467.31686	4.1
468.31964	0.9
485.32736	19.0
486.32895	2.2
502.71237	0.5
509.25604	1.8
527.33752	1.2
545.34888	100.0
546.35199	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	17.0
59.82163	4.3
61.98837	21.8
65.18198	3.9
66.17474	4.3
69.08374	12.8
69.08772	36.0
73.10925	4.1
96.37531	4.1
107.38387	4.8
169.07819	4.7
177.93706	5.0
187.64156	5.2
441.33969	6.0
467.31638	13.1
468.32025	14.4
485.32529	10.3
486.33105	21.3
505.88083	5.3
515.99146	4.8
545.34961	53.1
546.35248	100.0
547.35571	8.1
553.86700	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1982
Annotation	Colchicoside
Peak:m/z	Relative Intensity
52.83018	0.5
52.97206	0.5
57.03447	0.8
58.09232	0.5
58.18561	0.5
58.21685	0.5
58.84500	0.5
59.01373	1.1
59.32023	0.4
60.26989	0.4
61.98824	1.1
69.09987	2.4
69.10407	2.0
71.01381	0.9
83.01392	2.2
85.02942	1.3
86.58796	0.5
87.66821	0.5
88.98807	2.7
91.05538	0.6
93.03478	1.3
95.01418	0.6
95.05054	0.6
96.96035	0.7
97.02971	3.8
108.02180	1.0
109.02967	11.9
119.04991	0.7
121.02962	2.0
122.03760	2.0
123.04527	10.4
125.02452	2.3
135.04527	2.3
136.01685	1.2
136.14413	0.5
137.02461	2.6
139.04042	1.6
145.02921	1.1
146.03758	1.0
147.04395	0.8
149.02451	6.1
150.03174	1.3
151.04041	7.5
159.04524	1.8
161.02432	2.3
161.06058	3.7
162.03235	1.5
163.04018	4.2
164.01123	0.5
164.04793	1.7
165.01865	1.4
165.05611	1.2
173.04631	1.7
175.03983	2.0
176.04735	0.7
177.01981	0.9
177.05569	2.0
179.03511	1.3
179.07158	0.7
185.06165	0.5
187.04004	1.8
188.04683	0.7
189.02095	0.6
189.05629	0.8
190.02705	0.8
191.03517	2.1
191.05594	3.1
192.05952	0.6
203.03531	0.8
203.07129	6.6
205.05098	8.6
208.03757	1.6
211.07646	1.5
213.05617	1.0
218.06073	0.5
220.09834	3.9
223.06116	3.4
227.07138	0.9
230.05763	0.8
231.03024	1.1
232.09842	2.5
234.11377	1.1
241.08615	0.5
245.08153	1.0
247.06174	3.4
247.09721	1.1
251.56227	0.6
255.06700	0.9
256.06943	0.5
257.08176	0.8
260.09280	2.6
274.10855	1.7
283.09796	0.9
285.11316	1.2
289.07214	3.8
298.14511	1.1
315.08813	1.0
316.15714	0.8
340.15601	5.3
353.09360	0.5
366.13287	0.6
373.09616	0.9
384.14545	100.0
385.14972	7.1
408.14270	0.6
546.19867	10.5
547.20044	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.6
57.03445	5.1
59.01382	79.9
69.27201	18.8
71.01389	59.1
73.02956	12.3
82.39173	2.5
83.01419	6.8
85.02956	14.2
87.00925	2.9
88.08315	2.7
89.02452	100.0
96.96035	10.5
98.21799	5.4
99.00891	6.5
99.04558	2.5
101.02454	48.4
113.02471	18.9
119.03519	14.5
125.02435	4.0
131.03510	57.6
143.03542	4.9
149.04564	74.7
161.04601	12.9
173.04659	3.4
179.05611	14.2
191.05614	70.2
192.05931	3.3
221.06671	5.0
222.18227	3.1
251.07739	5.3
291.13977	2.9
354.07150	4.3
414.22305	9.2
415.23560	10.1
437.71252	2.8
547.20874	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	6.1
59.01380	87.2
60.97576	5.2
61.74824	4.7
64.21223	4.6
67.17845	4.0
69.19484	37.4
71.01392	53.7
72.36380	4.2
72.99268	4.6
73.02959	4.7
85.02966	16.7
87.00889	5.1
89.01897	5.2
89.02448	100.0
92.63433	4.2
96.95981	5.4
99.00946	4.5
101.02449	44.4
109.82014	4.0
113.02450	19.1
119.03532	18.0
131.03522	68.4
149.04556	67.8
161.04591	9.6
165.01262	4.2
179.05658	22.9
191.05647	36.0
371.20728	30.9
371.80304	5.5
391.78229	4.8
481.89883	4.9
503.25101	20.0
573.25275	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79525	5.4
59.01369	15.5
59.95822	5.4
61.98838	100.0
66.40706	4.9
71.30021	5.8
71.30387	7.3
81.75217	5.0
92.95560	4.5
94.31208	4.5
113.17646	5.7
118.60184	5.1
122.02215	11.8
132.66534	5.5
203.05756	9.9
366.62820	5.5
387.35846	6.8
401.24847	30.1
401.29056	5.7
444.25192	42.6
459.28671	10.1
546.28552	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68654	3.1
57.81923	3.1
61.63305	3.2
61.98835	100.0
66.61344	3.0
69.02672	27.2
69.03088	5.8
78.08350	3.0
78.95917	10.3
81.76849	3.4
98.21718	5.4
152.99620	6.8
202.31230	3.4
237.59886	3.2
287.48703	3.2
348.24829	3.3
483.31073	9.7
554.92224	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26760	0.7
54.12443	0.8
55.09859	0.6
59.01383	7.3
61.98837	100.0
62.93287	0.6
66.50424	0.6
68.37354	0.6
70.36135	2.8
76.98676	0.6
89.01936	0.6
98.06743	0.8
147.43019	0.6
153.71980	0.7
198.98549	0.8
216.12067	0.7
222.19189	0.8
236.10451	0.7
245.84358	0.6
246.56908	0.7
252.45947	0.6
258.87842	0.6
329.79944	0.7
453.84271	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17104	1.3
59.01378	2.9
60.58314	1.3
61.98833	100.0
71.01373	1.2
71.88918	1.3
72.61647	1.3
93.02263	1.4
103.94931	1.3
161.35574	1.4
176.04179	1.3
181.29042	1.3
199.42583	1.3
219.40384	1.5
229.06557	2.3
304.38541	1.4
546.34912	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69102	5.9
61.98838	100.0
71.30425	7.5
74.69473	6.3
78.95908	33.2
101.80492	7.7
117.72520	6.6
152.99631	14.5
194.72691	6.9
314.80368	7.9
323.85492	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96822	3.0
59.01379	3.4
61.98516	6.0
61.98834	100.0
70.63609	3.1
95.06800	2.9
102.56774	3.4
104.92939	3.3
150.84921	3.1
228.63475	3.8
277.21649	6.4
337.98483	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69175	6.0
54.67619	6.7
55.83023	5.3
59.01397	6.1
61.98834	100.0
121.01545	5.8
144.67181	6.0
180.48315	5.8
331.33234	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53984	0.8
53.04710	0.7
57.03425	1.3
59.01385	32.8
69.55560	1.1
71.01388	32.3
72.99294	2.0
73.02956	9.0
83.01398	5.4
85.02961	5.2
87.00883	32.0
89.02452	21.1
95.01388	1.6
96.96007	1.5
98.21763	1.5
99.00886	24.7
101.02450	8.8
108.94151	0.9
111.00877	7.4
113.02465	6.1
115.00385	56.5
119.03523	2.2
124.22509	0.9
125.02424	4.6
127.00375	2.4
131.03513	17.2
135.04529	1.5
139.00392	16.1
149.04561	17.8
157.01430	26.4
158.01759	1.0
161.04546	2.4
175.02490	100.0
176.02873	1.2
176.07214	0.9
179.03555	1.0
179.10741	1.8
184.05507	0.9
191.05620	18.7
221.06697	1.0
223.09570	1.1
233.06667	2.2
241.09619	0.9
253.07297	1.6
267.11465	1.1
277.12131	0.9
280.08673	2.0
293.08832	1.4
295.10925	8.3
309.12601	1.2
325.11951	1.7
327.13474	2.9
339.09787	4.7
347.17252	2.0
353.11337	2.2
369.10925	1.8
371.12460	10.3
391.12915	2.5
397.10263	1.2
399.12036	2.2
401.13428	2.2
415.16275	3.1
415.22931	0.9
429.13098	5.3
431.14703	1.3
435.12344	2.0
467.14633	5.1
485.15613	6.1
487.13580	3.2
499.14163	1.0
503.28049	1.3
529.14606	1.2
547.20752	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74455	1.1
55.01864	2.2
57.03448	3.3
58.00604	1.7
59.01090	1.5
59.01387	28.5
60.94314	1.3
62.82073	1.0
66.80624	1.1
67.01910	1.4
67.30080	1.0
69.25700	8.5
71.01389	45.3
72.44516	1.1
72.99289	2.6
73.02947	8.9
76.23369	1.1
82.95483	1.1
83.01386	7.3
85.02966	14.2
87.00885	35.6
89.02459	10.8
91.31422	1.0
96.96020	1.7
99.00874	5.3
101.02456	21.3
107.61137	1.0
109.02945	1.4
111.00896	8.2
111.04545	1.4
112.31974	1.0
113.02464	11.3
115.00387	52.3
116.79382	1.1
119.03516	1.5
125.02448	4.7
131.03516	7.4
135.04517	3.8
137.02400	1.3
139.00406	14.2
143.03514	3.2
149.04570	2.1
152.33438	1.1
157.01440	27.5
159.02960	1.6
161.04558	20.6
175.02498	100.0
176.02846	2.0
179.03520	3.2
179.10771	4.2
191.05644	8.2
215.55478	1.2
218.34816	1.0
223.09767	2.0
280.08359	1.9
295.10873	6.8
297.12665	1.5
308.54062	1.2
325.11935	2.4
327.13538	5.0
339.09756	2.1
371.12515	11.0
395.55991	1.1
396.48434	1.2
397.10181	1.6
397.22223	1.2
401.13522	2.0
408.30661	1.3
415.23398	32.9
416.23636	1.7
429.12982	4.6
431.14648	1.4
459.22357	4.2
467.14725	5.9
473.21484	1.5
485.15958	6.4
486.16296	1.3
487.13449	2.4
529.14392	1.3
547.14899	3.7
547.20953	1.2
547.27856	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.0
59.01381	22.6
62.14973	1.1
71.01391	26.9
71.71339	1.4
72.99323	2.3
73.02950	6.5
78.33635	1.2
83.01400	7.0
85.02956	5.4
87.00883	32.9
89.02464	9.9
93.03484	1.9
96.22824	1.0
96.96031	2.1
98.21748	2.9
99.00883	7.1
101.02443	7.8
109.02979	1.9
111.00928	6.7
111.04475	1.5
111.17728	1.3
112.98737	1.4
113.02465	4.1
115.00388	58.5
115.85376	1.1
117.64548	1.6
125.02483	8.4
127.00354	2.1
131.03523	4.6
134.03783	1.6
135.04541	14.9
139.00406	15.3
143.07153	2.1
149.04605	7.9
157.01443	28.5
161.02469	3.1
161.04597	3.5
173.04512	1.9
175.02499	100.0
176.02835	2.3
179.03534	14.4
179.10762	2.9
191.05650	17.5
207.14198	1.3
223.09761	1.4
229.39545	1.6
239.09261	1.8
280.08398	2.8
283.77908	1.2
289.07193	2.3
295.10941	5.6
325.12088	1.6
327.13550	5.0
339.10223	1.8
353.08609	2.9
355.13229	1.6
371.12485	8.8
373.09286	3.5
401.13428	2.3
409.83557	1.4
415.23416	4.1
424.67230	1.6
429.13184	3.6
431.14459	1.8
467.14661	3.8
485.15677	9.5
487.13593	2.9
503.28775	2.2
547.14185	3.9
547.20685	4.2
547.27789	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61268	0.6
54.54090	0.6
57.03456	4.3
58.00587	0.7
59.01384	11.4
61.98832	6.4
63.10471	0.6
65.00328	1.0
68.33027	0.6
69.00926	7.6
69.03467	0.9
69.86627	0.6
71.01384	11.9
71.05058	0.7
72.99303	2.2
73.02957	4.4
74.02481	1.4
75.00883	1.5
81.03458	2.7
83.01395	7.0
83.05047	0.7
85.02953	3.8
87.00883	2.6
89.02443	12.7
95.01382	1.8
95.05056	1.3
95.21508	0.7
97.02962	1.6
97.06612	1.3
98.68109	0.7
99.00863	1.7
99.04537	1.0
101.02453	7.7
108.02202	0.8
109.02953	11.8
113.02464	4.8
113.06040	0.6
117.03462	0.8
119.03482	1.1
119.05055	1.2
121.06590	0.8
122.54997	0.7
123.03635	1.5
123.04535	29.4
123.08148	1.2
124.04916	0.6
125.02457	40.2
131.03517	4.2
133.02946	2.4
135.04524	1.8
137.02426	1.6
137.06102	1.5
139.07643	1.4
143.03485	1.3
145.02946	1.3
147.04503	4.5
149.02419	1.4
149.04565	4.1
149.05650	0.7
150.03200	1.0
151.00388	2.4
151.04042	4.2
159.04549	1.4
161.02437	2.9
161.04568	3.3
163.04070	0.8
166.02692	2.3
167.03503	43.1
168.03812	1.1
175.03990	1.7
175.07620	0.7
176.01216	1.2
176.04839	5.4
177.01947	21.6
179.03491	3.6
179.05634	0.9
187.04005	1.5
187.07631	1.6
189.01935	46.3
190.02711	8.8
191.03491	10.4
191.05602	3.5
193.06577	2.7
201.01952	1.2
203.03539	4.7
205.08708	5.5
209.15465	3.1
216.00639	10.3
217.01421	30.2
218.01912	2.1
219.02988	11.9
229.01476	1.5
231.02982	7.5
231.10216	0.9
232.03413	0.7
233.04497	0.9
241.08595	1.1
253.14461	7.5
257.08072	1.1
288.06540	0.9
323.05734	1.5
327.05167	1.0
337.20093	0.7
341.06653	100.0
342.06967	6.3
367.11957	2.4
385.12997	26.7
385.17902	1.7
385.21863	1.3
386.13367	2.3
415.23318	7.9
419.11282	5.9
437.12292	0.9
503.30145	1.6
529.28278	1.2
537.26532	0.8
546.27368	1.3
547.15625	2.3
547.28101	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35247	1.4
58.79918	1.5
58.82445	1.5
59.01399	3.0
60.99303	3.5
65.32986	1.3
71.01381	2.6
71.30366	2.1
84.53405	1.4
85.02953	2.9
87.00901	1.8
88.98817	22.2
89.02481	2.2
93.03455	4.4
93.53881	1.3
96.96038	3.6
109.02951	5.1
110.03262	2.0
116.02010	1.4
117.20846	1.5
121.02969	4.4
122.03777	1.7
123.04500	3.7
124.04823	1.6
125.02413	1.6
133.02911	2.5
133.66289	1.4
134.03763	1.9
135.04532	7.6
137.02397	1.7
149.02463	29.6
150.09172	1.5
151.04028	4.1
152.01117	7.6
161.02356	1.8
163.03987	6.6
164.04805	27.2
169.05020	2.9
173.04541	5.5
179.03526	3.1
179.07172	10.3
190.02762	2.3
191.03766	2.1
191.05615	13.9
193.01385	14.6
193.05119	2.0
205.05049	7.4
208.03790	42.2
208.05750	2.0
211.07671	2.2
223.06117	100.0
224.06465	4.5
255.06682	2.4
285.11441	7.7
373.09351	5.0
384.14554	13.0
385.11206	6.8
385.15228	32.0
457.79172	1.6
509.12720	2.4
518.00226	1.8
547.19824	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	56.4
67.29778	9.5
69.19878	90.0
71.01382	44.4
73.02956	15.0
85.02939	14.3
89.02435	26.6
90.27309	11.8
96.80376	8.8
96.96025	35.8
101.02448	28.8
113.02432	30.0
161.04535	15.6
179.10788	99.5
188.53297	9.1
223.09805	100.0
237.70905	10.6
385.14838	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62495	4.5
54.26501	4.5
59.01387	62.5
68.19865	4.9
69.02162	46.0
69.02579	11.1
71.01385	61.3
73.02945	19.7
74.99104	12.7
83.01418	6.4
85.02954	28.2
87.00893	9.0
89.02451	57.1
96.96020	100.0
98.21730	10.4
101.02458	48.8
113.02441	20.5
117.20032	5.8
119.03510	9.1
123.04562	6.1
125.02436	10.3
131.03523	34.2
135.11806	5.8
136.99147	13.7
149.04555	39.6
161.04564	17.0
167.03462	8.8
179.05620	8.0
179.10793	53.5
191.05612	25.1
203.10863	10.0
205.98788	6.1
221.12070	6.2
223.09796	62.8
253.08655	10.1
325.12646	7.4
345.83798	5.1
373.22330	12.6
385.14746	12.7
415.23361	14.6
427.13779	12.4
503.28772	6.0
505.26608	20.8
547.27478	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62495	4.5
54.26501	4.5
59.01387	62.5
68.19865	4.9
69.02162	46.0
69.02579	11.1
71.01385	61.3
73.02945	19.7
74.99104	12.7
83.01418	6.4
85.02954	28.2
87.00893	9.0
89.02451	57.1
96.96020	100.0
98.21730	10.4
101.02458	48.8
113.02441	20.5
117.20032	5.8
119.03510	9.1
123.04562	6.1
125.02436	10.3
131.03523	34.2
135.11806	5.8
136.99147	13.7
149.04555	39.6
161.04564	17.0
167.03462	8.8
179.05620	8.0
179.10793	53.5
191.05612	25.1
203.10863	10.0
205.98788	6.1
221.12070	6.2
223.09796	62.8
253.08655	10.1
325.12646	7.4
345.83798	5.1
373.22330	12.6
385.14746	12.7
415.23361	14.6
427.13779	12.4
503.28772	6.0
505.26608	20.8
547.27478	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.8
59.01394	18.3
61.98840	6.3
63.10228	2.4
68.68793	2.3
69.03456	11.5
69.92165	8.6
71.01378	5.9
71.05019	3.6
72.99301	7.7
73.02945	4.6
75.00878	9.1
83.05023	18.8
83.23448	2.4
85.02931	3.8
87.00894	6.3
89.02460	9.6
93.03481	9.2
95.05035	14.6
97.02956	34.4
101.02473	5.1
107.05041	9.5
109.02960	7.9
109.06613	19.9
111.00839	3.1
111.04481	2.7
113.02441	6.2
121.06613	4.8
122.03770	8.7
123.04491	4.1
123.08168	3.5
125.02468	4.2
127.04073	8.5
135.04477	3.0
135.08133	3.2
137.06090	100.0
139.07709	3.0
147.04515	6.0
147.08209	3.1
149.04567	4.7
149.06059	3.8
149.09726	4.8
151.07631	4.2
153.05585	12.1
153.09250	8.4
157.06670	3.3
161.06001	3.0
161.09668	3.2
163.11267	5.4
173.05995	4.2
175.04010	3.5
175.07683	4.6
181.08710	2.6
185.06161	5.1
189.09372	3.4
199.07751	3.0
203.06944	4.1
207.10283	3.9
209.11935	3.6
223.05547	2.6
227.09091	5.3
237.09171	5.5
253.17879	3.0
255.10471	2.9
259.13333	4.0
287.13049	3.2
295.13351	5.6
301.10944	3.3
303.12686	4.2
313.14426	3.1
338.07993	5.6
353.10367	8.9
415.22949	3.1
467.20624	7.0
503.30518	12.7
511.19867	9.6
529.20062	5.9
547.21021	71.5
548.22241	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06475	2.2
57.03440	4.8
57.12325	2.2
59.01385	23.1
61.74667	2.2
61.98827	5.2
67.01910	3.5
69.03453	10.3
71.01388	18.9
71.05036	2.6
72.99307	7.7
73.02943	9.0
75.99066	2.3
82.42359	2.1
83.05027	5.6
85.02959	6.3
87.00853	3.7
87.04553	3.6
89.02451	13.6
93.03488	5.4
93.07102	6.0
95.05056	14.8
95.05553	2.4
97.02955	26.1
98.22675	4.5
99.00848	5.7
99.04526	6.8
101.02438	14.9
105.25733	2.2
107.05047	4.2
109.02971	7.0
109.06586	16.4
111.04544	5.6
111.08197	3.4
113.02477	13.7
115.92075	3.1
121.06614	4.8
122.03759	9.1
123.04544	15.9
123.06161	2.6
123.08137	2.7
124.55700	2.9
125.02464	12.4
125.06099	7.6
127.04034	4.3
127.07672	23.6
129.05542	6.3
131.03542	5.0
133.06602	4.0
135.04472	2.6
137.02498	2.4
137.06097	100.0
138.06418	3.8
145.02995	3.2
146.06978	2.4
147.04601	4.2
147.08177	5.0
149.04541	9.4
149.06065	4.2
151.04025	4.2
155.07150	6.4
161.04459	3.1
163.11285	7.0
165.09241	4.4
167.03516	5.8
173.08192	9.2
175.04097	3.1
177.01968	14.5
189.01971	23.9
189.09262	6.9
190.02664	2.8
191.03500	4.1
191.05591	3.6
191.10800	5.2
203.03450	2.9
205.08836	3.7
207.10187	4.7
216.00597	7.1
217.01454	12.8
219.02979	5.5
225.12889	2.7
231.02972	5.2
237.09181	2.8
251.10793	2.8
251.39822	2.5
253.12367	3.5
253.18120	12.4
269.11685	3.9
277.12366	3.9
293.08701	2.7
293.11887	3.7
293.15216	2.6
295.13330	7.8
297.11438	4.0
313.14471	5.5
323.16776	3.6
337.10657	3.5
339.12323	9.2
341.06686	45.6
342.06873	3.3
355.11966	2.8
357.13559	5.7
385.12964	3.9
405.20676	3.2
409.15225	18.4
415.23602	8.1
419.11411	5.6
423.21301	2.8
449.23203	2.6
467.19858	13.3
485.21759	3.7
488.13321	3.0
511.23810	22.2
519.22150	4.4
529.24249	9.1
547.21729	37.4
547.27783	35.1
548.21338	2.9
548.28845	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63492	1.5
57.03441	2.9
59.01381	6.3
61.98823	1.8
69.03461	11.5
71.01358	4.3
71.28715	1.3
72.98917	1.8
72.99308	28.9
73.02953	2.8
73.17812	1.3
74.25057	1.1
79.87912	1.2
83.05038	2.4
85.02950	4.7
85.06606	1.9
89.02455	2.7
95.05028	3.8
97.02958	42.9
98.03232	1.5
99.00888	1.9
99.04478	1.2
107.05035	2.5
107.08674	2.4
109.02919	2.5
109.06612	15.6
111.04537	2.9
111.08144	5.5
113.02442	3.2
116.77491	1.3
119.05025	2.1
121.06575	4.5
122.03719	1.6
122.81081	1.4
123.04432	1.9
123.08142	2.3
125.02409	1.4
125.06043	2.3
129.05600	12.9
131.03503	2.7
133.06627	2.2
135.04420	1.5
137.06090	9.4
139.04002	1.4
141.70061	1.4
151.07669	1.9
155.07149	2.4
159.04475	1.7
161.09683	1.8
163.07643	1.8
163.11293	10.3
170.07780	1.2
173.09706	2.0
175.07634	4.3
177.09209	2.2
177.74672	1.3
179.65146	1.5
185.09843	1.4
187.11328	1.6
190.49437	1.3
191.10831	2.9
207.10201	3.0
211.05322	2.2
215.10783	10.4
235.11324	3.0
245.11826	1.3
252.56618	1.3
253.18091	2.6
261.11301	3.3
263.10715	3.9
281.11862	11.4
292.11020	1.8
293.11734	2.6
295.11978	3.0
299.12848	3.1
311.12759	3.8
375.19711	3.8
405.19458	2.1
415.23160	2.4
419.18509	2.7
437.13974	2.2
437.19690	32.9
438.19992	4.0
449.19855	2.2
455.20773	10.0
467.20721	26.1
468.21344	2.4
469.18655	1.5
485.21423	2.5
487.19800	1.7
503.22955	3.6
511.19556	4.7
529.20404	9.6
547.21631	100.0
548.21967	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2468
Annotation	19-Epi-(+)-echitoveniline
Peak:m/z	Relative Intensity
59.01378	19.6
62.95957	9.1
63.36903	9.6
174.56012	9.7
217.01515	13.8
251.50685	8.3
278.43317	8.1
293.21198	11.2
309.20743	11.4
311.22324	44.3
339.86734	10.3
397.87634	8.5
511.26898	9.3
547.24200	100.0
548.24548	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
61.20181	31.0
74.51509	30.2
79.33303	28.2
87.00876	45.6
110.68610	31.0
267.67578	31.9
368.98541	32.1
373.25836	32.1
547.28162	100.0
548.25342	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98787	9.6
65.79405	9.4
69.01279	100.0
98.22478	34.5
100.00203	10.3
112.37318	10.5
189.01941	22.8
191.05476	11.0
217.01447	39.6
284.85425	10.8
327.05164	21.3
334.32825	11.4
510.31555	11.2
547.23633	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51802	39.5
70.87167	76.0
91.20065	42.2
113.78529	43.3
119.05072	92.7
120.39893	51.1
121.02990	53.6
135.58131	47.2
162.83949	47.2
163.04016	100.0
187.37473	44.9
231.04475	42.6
436.21378	52.0
544.00366	44.4
547.24554	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22678	11.3
61.98816	16.6
69.12803	100.0
288.94092	13.8
354.13351	12.5
393.55359	13.1
509.25443	31.7
515.23615	15.3
547.31976	17.9
561.19989	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2474
Annotation	19-Epi-(+)-echitoveniline
Peak:m/z	Relative Intensity
57.12411	8.9
61.98844	79.3
69.06451	12.8
69.06770	100.0
72.43339	7.7
136.24025	8.3
139.74200	8.6
547.24426	71.7
563.62842	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27651	12.6
61.98828	66.1
66.97479	13.5
69.79687	51.0
85.18560	15.3
117.48321	15.9
236.61938	15.2
240.95189	18.3
370.69336	14.0
511.26779	100.0
540.80615	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	33.3
61.98839	39.6
62.75296	5.2
71.01399	31.7
73.02953	11.1
81.03424	7.8
84.00359	5.5
85.02950	12.6
87.00892	9.1
89.02462	19.2
97.02945	13.4
97.06585	11.7
101.02489	14.0
105.92706	5.4
109.02961	9.7
113.02471	10.4
123.04541	7.0
129.32265	5.7
139.07762	8.2
189.01968	12.3
217.01468	14.8
229.23770	6.4
229.25809	7.6
231.10191	7.9
323.25879	7.7
327.05081	7.2
341.06702	11.4
385.26056	11.6
409.23785	6.7
485.29373	26.7
503.29837	14.3
529.28577	15.2
547.15454	10.2
547.29614	100.0
548.31848	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	9.9
59.01377	20.8
61.98836	20.0
62.80429	7.4
66.37823	8.5
67.68352	8.4
71.01395	14.8
80.48234	8.0
83.05064	9.2
83.20185	7.6
85.02924	8.1
89.02458	17.7
97.02960	18.2
98.21783	33.8
155.58763	7.9
169.22089	7.5
217.01419	9.5
235.50212	10.0
283.13107	8.9
365.24893	10.1
409.24130	10.3
467.27847	13.9
485.29190	56.1
503.30017	26.6
529.27911	20.2
547.29608	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.248
Annotation	19-Epi-(+)-echitoveniline
Peak:m/z	Relative Intensity
58.49968	7.9
59.01373	13.9
61.66605	7.4
61.85778	8.3
65.45954	8.3
69.01790	71.2
71.04983	7.9
81.46761	7.7
87.60216	8.3
103.93567	8.2
139.07660	22.6
159.11772	7.1
189.02086	9.6
217.01424	12.8
277.13434	8.4
370.70065	9.2
498.76831	9.4
499.59048	9.0
511.26999	91.9
539.09375	9.2
547.24390	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37671	9.7
54.52592	9.7
58.20492	10.7
59.01376	39.3
59.20262	9.3
61.98827	71.9
64.99171	9.0
65.27448	8.5
69.10320	22.9
69.10643	100.0
79.74532	10.2
82.74854	10.4
85.51279	9.3
96.94553	9.2
177.06331	10.5
247.74728	10.3
288.62256	9.8
402.29044	10.0
428.88577	11.0
511.26926	34.0
547.24017	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	5.0
59.01378	13.8
61.98811	5.7
69.03465	11.7
71.01379	4.5
71.31359	6.3
73.02958	11.5
85.02947	14.3
85.61408	4.0
87.00887	5.9
89.02499	3.9
93.03480	5.8
97.02968	52.4
97.06582	6.8
98.22130	4.9
108.05801	4.9
109.02961	15.7
109.06590	12.0
113.02456	6.3
121.02975	21.8
121.06568	8.2
122.03708	6.0
123.04524	12.5
123.08165	8.0
125.06116	9.0
126.54124	4.2
134.03735	4.0
135.04631	4.0
135.08150	5.0
137.06079	19.8
139.04086	5.0
139.07585	4.9
144.22998	4.2
147.08099	3.9
149.06110	7.9
150.03220	7.1
151.04012	5.0
151.07631	7.7
163.11299	69.7
167.07147	21.6
173.04605	5.5
173.06088	5.7
177.01976	6.3
179.07129	6.6
189.01910	42.1
189.09196	11.0
191.03610	5.8
191.05554	11.4
191.10765	4.5
199.07927	5.8
199.09755	34.7
202.09959	4.3
205.08888	6.0
207.10336	5.7
215.10800	17.7
217.01440	100.0
217.12317	11.7
218.01784	9.2
219.10223	4.8
231.10199	11.7
233.11780	5.8
249.11365	11.6
253.08632	6.8
254.09634	5.2
257.15509	8.6
261.11295	8.6
265.96033	3.7
271.09937	8.1
285.14963	14.4
287.13010	7.9
288.06522	6.4
290.29984	4.0
301.14502	6.2
303.16040	14.8
315.12314	8.6
326.04404	5.7
327.05103	52.7
328.05707	6.1
329.13950	39.6
333.13571	5.3
339.33173	3.9
341.06540	11.2
385.20206	11.7
417.21051	4.5
431.21310	5.6
431.27673	4.5
435.22000	7.7
439.25702	5.4
449.08963	7.4
457.25748	5.0
467.24353	14.2
479.20877	16.0
483.23755	6.1
485.25436	23.8
501.25027	19.4
503.26434	12.1
511.23611	36.9
529.24762	14.1
547.25525	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2555
Annotation	[2'R,7'R(S),8R]-7'-Deoxo-8-hydroxy-7'-(1-hydroxyethyl)verrucarin A
Peak:m/z	Relative Intensity
53.02081	3.6
57.03460	17.3
59.01376	3.6
69.03462	3.7
71.01408	5.7
71.05030	10.7
73.02951	28.9
81.03434	3.2
85.02984	5.9
87.04533	6.0
97.02941	4.8
97.06610	5.8
99.04514	3.7
101.02465	3.7
107.05016	7.4
107.46533	3.4
109.06607	13.8
118.37419	3.2
121.02994	5.7
121.06606	10.1
123.04553	9.4
123.08179	5.2
125.06110	49.7
128.85509	3.7
131.89125	4.1
135.04546	4.0
137.06079	10.1
139.07629	4.9
145.33090	3.6
149.06070	9.4
151.07677	11.2
161.09744	10.2
163.11348	12.4
175.11273	4.0
179.07291	3.6
184.86385	3.4
189.09261	5.1
196.66402	3.6
207.10155	4.4
217.01534	6.2
227.10733	8.0
229.12296	11.1
245.11896	11.7
253.08681	6.0
269.15485	4.6
273.11371	9.7
285.15009	5.9
291.64441	3.9
295.15427	13.2
347.14999	43.2
348.15384	4.5
377.17325	6.3
382.98502	3.7
389.21207	4.2
407.22522	4.3
421.24023	4.2
439.25058	6.7
451.21616	5.0
457.26147	7.3
479.20895	13.8
483.23990	17.0
497.21790	37.6
501.24915	59.5
502.25677	5.1
529.24365	100.0
530.24878	11.7
547.25293	44.4
548.26270	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2553
Annotation	[7'R(S),9R,10S]-7'-Deoxo-2'-deoxy-9,10-epoxy-9,10-dihydro-4'-hydroxy-7'-(1-hydroxyethyl)verrucarin A
Peak:m/z	Relative Intensity
57.03438	9.9
61.98839	8.0
71.05003	4.6
71.29138	6.6
73.02951	17.3
99.04523	8.4
121.06601	11.9
125.06110	5.9
135.04538	19.2
137.06181	6.0
155.12288	4.8
163.07677	5.1
163.96864	5.7
167.07330	4.9
275.12830	6.0
427.21161	6.2
492.06744	5.8
515.23126	25.5
547.25446	100.0
548.26001	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	11.0
59.01374	15.0
61.98838	5.5
68.99152	20.8
68.99554	6.0
69.03465	12.9
71.01381	8.1
72.20827	2.3
72.99305	13.6
73.02950	3.0
75.00852	2.7
83.05046	2.9
85.02965	12.6
85.06615	3.6
92.67583	2.5
93.03482	3.9
93.07086	6.3
95.05046	13.7
97.02952	61.7
98.22555	5.8
99.04505	6.3
101.02469	5.8
107.05021	4.9
109.02944	3.0
109.06583	10.5
111.04547	3.9
111.08187	4.7
113.02484	5.1
121.06594	3.9
122.03749	11.2
123.04530	3.4
123.08149	8.0
125.06081	3.9
125.09749	3.4
129.05580	12.6
133.06615	4.4
135.08160	3.8
137.06093	100.0
137.09682	2.6
138.06422	4.2
139.07652	4.9
141.05573	15.2
147.08170	3.1
149.09659	3.0
149.33568	2.6
151.07535	3.5
153.09248	2.9
154.95636	2.4
155.07217	4.0
157.08656	4.0
161.05919	2.5
161.09740	3.1
161.65184	2.7
163.11249	3.5
169.08615	3.3
181.08624	3.1
191.10796	4.6
193.08708	2.7
193.12344	5.1
213.68248	2.8
217.12308	7.9
223.13396	13.7
268.49582	2.5
279.12634	2.8
281.08148	5.8
281.15399	3.1
296.10510	4.4
311.16437	6.0
315.19412	3.7
323.09213	3.0
324.10126	3.2
327.12360	2.8
339.12482	5.6
355.11954	11.6
365.19693	5.2
367.24789	3.3
370.14188	5.0
385.16498	36.2
385.25977	7.0
405.23212	9.9
409.18710	8.2
423.25198	4.4
441.23062	8.3
449.22336	7.8
467.24371	12.2
485.25473	26.3
501.24902	13.0
503.25867	4.1
511.22998	7.4
529.24414	69.6
530.24603	6.3
547.23730	27.9
547.31097	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
59.01374	2.5
61.98824	2.4
62.30662	0.6
67.01872	1.9
67.52383	0.5
69.03458	19.4
69.96709	1.4
71.01373	2.9
72.99306	2.9
73.02934	1.9
75.00872	0.9
83.05025	1.6
85.02955	3.6
85.06602	0.7
87.00877	4.4
89.02454	2.4
93.03455	1.2
93.07095	1.0
95.05035	2.7
96.96003	1.2
97.02957	100.0
97.06584	1.1
98.03304	2.0
101.02454	1.1
109.02997	1.5
109.06591	2.0
111.04532	0.8
111.08130	0.8
111.31541	0.7
113.02451	2.0
121.06599	1.1
122.03740	2.1
123.08202	0.8
125.02404	1.1
125.06060	1.3
129.05617	1.1
133.06662	0.9
135.08159	1.0
137.06099	30.2
138.06436	1.2
139.07687	1.5
149.09741	4.2
161.09734	0.8
163.11247	1.3
169.08679	0.8
170.68465	0.6
170.88396	0.8
191.05600	0.9
191.10851	1.4
193.08687	2.8
207.13945	0.6
213.12924	0.6
245.15498	1.6
251.09470	0.8
273.18637	2.0
281.52600	0.7
303.19586	1.8
373.16483	0.8
401.23477	2.4
409.15009	1.4
415.23618	2.0
421.22049	0.8
429.22928	1.1
431.20761	1.7
449.22906	1.1
467.24313	2.3
473.21811	39.6
474.22348	5.4
485.24908	1.4
511.23798	1.4
529.24597	11.1
530.24469	1.4
547.25574	29.3
548.25897	3.6
562.85376	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62157	6.2
57.03448	17.4
59.01367	24.6
61.98818	16.4
69.03461	14.8
69.72703	20.0
69.73109	10.4
71.01383	13.4
72.99303	9.3
73.02947	17.7
79.05515	9.6
79.46413	5.3
83.05030	8.8
85.06594	15.7
89.02460	10.0
93.07098	11.5
95.05009	15.7
97.02953	30.8
97.06593	7.7
98.21855	7.6
107.05035	5.0
109.02968	6.0
109.06632	17.9
111.04530	15.6
111.08155	17.0
113.02471	11.6
121.06594	6.5
122.03826	6.4
123.04533	7.1
123.08180	14.7
125.09740	12.8
129.05589	33.9
135.04567	7.7
135.08195	6.4
137.06113	47.9
139.07631	9.0
143.08566	7.0
147.08113	8.9
149.06085	6.2
151.07657	8.5
153.09286	7.3
155.07133	13.3
161.09677	6.5
163.11269	9.1
169.08751	6.8
173.09637	9.0
201.09238	8.2
207.10176	8.1
256.21045	5.8
277.12286	7.9
281.15634	6.7
293.15536	17.4
311.16681	9.8
356.86652	5.8
387.22974	10.7
405.24408	30.9
408.22498	6.1
423.25397	11.8
449.23376	44.6
457.18378	6.5
467.24280	100.0
468.24622	9.3
485.24658	40.2
493.22104	18.2
503.30124	11.2
511.23358	58.6
529.24652	97.2
530.24762	8.1
547.22797	25.7
547.28381	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2559
Annotation	[7'R(S),9R,10S]-7'-Deoxo-2'-deoxy-9,10-epoxy-9,10-dihydro-4'-hydroxy-7'-(1-hydroxyethyl)verrucarin A
Peak:m/z	Relative Intensity
53.14808	0.6
55.01873	1.8
55.20521	0.7
57.03451	11.0
59.01374	3.5
61.98828	1.8
68.99825	0.8
69.03456	1.5
69.12508	1.7
69.12914	3.0
71.01390	1.4
71.05030	4.3
72.99324	3.1
73.02952	24.0
78.95923	1.0
79.05544	0.9
81.03458	1.2
83.05031	1.9
85.02946	3.9
87.00900	3.9
87.04533	1.0
93.03486	1.2
95.05037	2.4
97.02969	2.2
97.06597	2.9
97.19073	0.7
99.04530	10.4
101.02466	2.6
103.15691	0.6
107.05026	5.1
109.02943	0.9
109.06583	3.7
109.80472	0.6
111.04571	1.2
111.08138	1.0
113.02483	1.1
121.02959	1.2
121.06606	13.5
121.81803	0.6
122.03754	1.2
122.06944	0.7
123.04538	8.1
123.08176	1.5
124.05307	1.3
125.02417	0.9
125.06093	5.9
133.06628	1.2
134.03760	1.0
135.04543	18.9
135.08174	2.9
136.05264	1.2
137.06104	11.3
139.07661	4.9
147.04491	1.0
147.08154	1.6
149.06085	8.6
149.09694	1.8
151.07660	2.4
153.05630	0.8
158.03581	0.6
159.04565	1.3
159.08179	2.2
160.05396	0.8
161.06088	1.1
161.09758	5.6
163.07683	2.8
167.07143	3.8
171.08142	1.4
173.06067	1.5
173.09747	1.3
174.06792	1.2
175.04079	0.7
175.07645	1.8
177.05626	1.1
177.09253	2.7
179.10774	4.0
181.05058	1.0
183.08278	0.8
185.09766	1.7
187.07643	1.5
187.11319	0.9
188.08488	1.1
189.05537	0.9
189.09256	3.0
191.05656	0.9
191.07188	1.8
193.08766	1.5
195.10347	1.4
199.11353	0.8
201.09236	1.5
201.12901	1.3
203.07190	1.8
203.10719	5.0
205.08733	1.6
213.09305	1.0
213.12914	2.7
215.07283	1.1
215.10793	2.0
215.14328	1.3
219.10333	0.8
223.07629	0.9
223.09731	1.3
225.09155	0.8
226.09970	0.9
227.07149	0.9
227.10846	1.0
227.14374	0.9
229.08623	0.8
229.12360	3.3
231.13974	1.1
239.10820	1.8
241.08714	1.2
241.10582	1.3
241.12512	1.9
243.10187	1.2
244.06284	0.7
245.11870	1.3
253.16006	1.7
254.13297	1.0
255.14026	0.9
257.11844	6.8
259.13406	2.0
269.15457	1.6
271.17130	1.2
273.11505	1.0
273.14752	0.9
275.12842	3.1
279.13898	1.6
281.11926	1.0
282.12561	1.2
283.13388	1.3
285.11237	1.7
297.14954	7.4
298.15363	0.9
299.15979	0.7
301.14420	0.8
303.12375	1.4
305.13931	1.8
307.15677	1.1
315.16083	4.7
323.16766	1.3
325.18097	0.7
329.13837	1.0
333.17203	1.8
341.13858	1.2
341.17563	2.3
349.18152	1.1
365.21289	1.4
372.83475	0.7
373.20486	2.8
377.16092	9.7
378.16562	1.0
395.18625	2.2
413.19482	1.1
415.21384	1.0
417.20831	1.1
423.18176	1.3
427.21161	5.1
431.25967	2.3
435.21713	3.7
441.19388	1.1
445.22156	4.9
449.23001	0.7
453.22812	1.3
455.20963	2.1
467.24344	7.5
468.24927	0.8
473.21762	3.2
485.25449	5.6
497.21902	1.9
501.25433	0.9
503.26663	1.0
511.23032	1.2
515.22864	23.2
516.23279	2.8
529.24310	4.6
547.25513	100.0
548.25873	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2547
Annotation	[7'R(S),9R,10S]-7'-Deoxo-2'-deoxy-9,10-epoxy-9,10-dihydro-4'-hydroxy-7'-(1-hydroxyethyl)verrucarin A
Peak:m/z	Relative Intensity
59.01372	35.1
62.70415	8.7
62.85495	8.8
66.48177	8.5
69.03440	25.9
71.01375	26.7
72.99319	66.5
75.00867	17.5
81.68932	9.0
89.02448	34.8
93.07084	10.6
95.05051	10.7
97.02956	100.0
101.02443	10.3
103.29073	9.7
107.05011	9.0
119.03509	7.9
137.02382	13.7
137.06090	36.0
139.07652	11.0
146.42320	8.3
195.36383	8.8
203.98778	9.8
227.09236	29.5
327.05038	8.9
431.20447	15.3
449.22052	27.2
473.21899	10.7
511.24429	13.9
529.24335	62.0
547.25024	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2554
Annotation	[7'R(S),9R,10S]-7'-Deoxo-2'-deoxy-9,10-epoxy-9,10-dihydro-4'-hydroxy-7'-(1-hydroxyethyl)verrucarin A
Peak:m/z	Relative Intensity
57.03455	2.6
59.01378	5.8
67.01873	2.7
69.03458	10.7
71.01389	1.9
72.99338	1.2
73.02958	1.5
83.05027	1.2
85.02955	5.2
89.02453	1.7
93.07112	1.3
95.05053	3.9
97.02960	47.5
97.06596	2.3
98.22535	2.5
107.05029	1.6
109.06606	2.6
110.76463	1.1
113.02502	1.4
118.91582	1.0
121.06603	1.8
122.03749	2.7
123.04519	2.2
123.08199	3.1
125.02409	1.5
125.06087	1.3
135.08063	1.1
137.06094	24.9
139.07697	1.3
141.05585	1.7
149.09676	1.7
177.45535	1.2
178.91586	1.1
213.12973	1.1
223.13419	2.6
237.60168	1.2
311.16953	1.2
329.17526	1.5
405.23154	1.2
407.20941	1.2
449.21854	4.4
499.14282	1.3
529.23975	1.7
547.25531	100.0
548.25995	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	20.1
61.98818	29.0
66.91920	11.1
68.99451	73.8
68.99864	26.0
74.62852	10.2
75.49070	10.3
87.39505	9.8
91.35722	10.9
92.27518	10.2
99.25562	10.3
116.38814	9.7
154.06409	11.6
184.64169	11.1
229.47116	10.8
311.22235	47.8
511.27100	100.0
512.27026	13.3
529.24335	13.3
547.24854	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63615	0.7
55.01871	2.8
57.03446	3.7
58.00592	3.6
59.01382	100.0
61.98813	1.7
69.03461	2.1
71.01387	77.0
72.99310	6.4
73.02955	10.6
81.03468	1.0
83.01396	5.1
85.02470	1.5
85.02956	17.7
86.03304	0.9
87.00870	4.3
89.02451	95.9
90.02784	1.2
95.01402	4.0
97.02965	2.7
98.21670	1.1
99.00903	6.1
99.04504	1.0
101.02447	48.5
102.02802	1.4
106.04694	0.8
109.03019	1.5
113.02461	25.7
119.03512	29.8
120.64462	0.9
123.04529	1.1
125.02460	6.0
129.01978	1.7
131.03510	44.1
131.68039	0.8
142.85294	1.0
143.03537	5.1
147.03241	1.0
149.04568	31.1
153.33054	0.8
161.02438	1.3
161.04561	11.3
163.04071	1.1
173.04593	1.0
178.06398	1.1
179.05640	13.6
179.10803	3.1
184.14717	0.9
191.05615	35.0
192.06004	0.8
223.09775	3.6
233.06706	1.2
251.07553	1.7
253.18057	2.8
269.04623	1.0
307.11786	1.3
337.12790	1.1
355.21210	2.0
385.22220	3.0
397.22314	9.2
398.49408	0.8
415.23386	29.6
416.23599	1.8
489.04041	0.9
529.25970	1.6
547.27551	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.7
57.03453	5.7
57.25910	1.4
59.01384	25.0
61.98838	6.8
67.01910	1.7
69.03461	23.9
70.83746	3.1
71.01390	26.5
72.71082	1.6
72.99319	15.1
73.02951	8.9
75.00906	3.0
83.01410	4.3
83.05058	2.4
84.95123	2.2
85.02962	12.9
86.00093	1.6
87.00852	12.2
88.35667	1.5
89.02451	11.4
93.03465	1.8
95.05070	4.8
97.02960	100.0
97.06606	2.1
98.03332	2.0
98.22179	2.1
99.00928	3.5
99.04546	2.8
101.02451	10.7
106.99808	1.5
107.05074	3.0
108.11275	2.0
109.02960	11.9
109.06647	3.8
113.02484	8.2
121.06612	3.4
123.08191	2.3
125.02467	2.1
125.06113	2.1
131.03535	4.7
133.02963	3.8
135.04573	1.8
137.06104	13.2
138.06465	2.8
145.06766	1.6
145.79478	1.6
146.03802	2.3
149.04666	2.1
149.06082	1.8
149.09767	3.7
151.04048	1.7
159.04576	1.8
161.04605	2.1
163.07550	1.7
173.04626	2.7
175.07735	6.9
175.11328	3.1
176.01254	1.8
176.04852	1.9
177.01932	12.2
187.04143	1.5
189.01941	20.2
189.09341	2.5
190.02695	2.7
191.03720	2.2
191.05701	6.2
193.08778	2.1
201.01984	2.7
216.00665	11.2
217.01431	15.0
219.03099	4.3
229.01576	4.6
229.08823	1.9
242.02240	2.4
251.16643	7.0
252.16957	8.2
253.18179	18.2
281.14145	2.8
285.15109	4.4
299.05859	1.8
326.79709	1.9
341.06799	3.8
373.16861	4.7
397.22552	2.3
409.15405	2.2
411.18042	1.8
415.23328	14.4
419.11349	23.1
420.12100	2.6
421.22345	27.6
422.22711	3.2
431.20734	14.1
449.21786	26.5
473.22232	23.4
529.15466	1.9
529.24640	3.5
547.27686	94.3
548.27911	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.7
57.03453	5.7
57.25910	1.4
59.01384	25.0
61.98838	6.8
67.01910	1.7
69.03461	23.9
70.83746	3.1
71.01390	26.5
72.71082	1.6
72.99319	15.1
73.02951	8.9
75.00906	3.0
83.01410	4.3
83.05058	2.4
84.95123	2.2
85.02962	12.9
86.00093	1.6
87.00852	12.2
88.35667	1.5
89.02451	11.4
93.03465	1.8
95.05070	4.8
97.02960	100.0
97.06606	2.1
98.03332	2.0
98.22179	2.1
99.00928	3.5
99.04546	2.8
101.02451	10.7
106.99808	1.5
107.05074	3.0
108.11275	2.0
109.02960	11.9
109.06647	3.8
113.02484	8.2
121.06612	3.4
123.08191	2.3
125.02467	2.1
125.06113	2.1
131.03535	4.7
133.02963	3.8
135.04573	1.8
137.06104	13.2
138.06465	2.8
145.06766	1.6
145.79478	1.6
146.03802	2.3
149.04666	2.1
149.06082	1.8
149.09767	3.7
151.04048	1.7
159.04576	1.8
161.04605	2.1
163.07550	1.7
173.04626	2.7
175.07735	6.9
175.11328	3.1
176.01254	1.8
176.04852	1.9
177.01932	12.2
187.04143	1.5
189.01941	20.2
189.09341	2.5
190.02695	2.7
191.03720	2.2
191.05701	6.2
193.08778	2.1
201.01984	2.7
216.00665	11.2
217.01431	15.0
219.03099	4.3
229.01576	4.6
229.08823	1.9
242.02240	2.4
251.16643	7.0
252.16957	8.2
253.18179	18.2
281.14145	2.8
285.15109	4.4
299.05859	1.8
326.79709	1.9
341.06799	3.8
373.16861	4.7
397.22552	2.3
409.15405	2.2
411.18042	1.8
415.23328	14.4
419.11349	23.1
420.12100	2.6
421.22345	27.6
422.22711	3.2
431.20734	14.1
449.21786	26.5
473.22232	23.4
529.15466	1.9
529.24640	3.5
547.27686	94.3
548.27911	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	50.8
61.98823	81.9
64.92374	25.3
69.68665	32.5
72.91397	29.4
84.36903	32.0
85.65581	34.3
98.21788	100.0
107.53417	28.5
158.69067	33.1
278.47412	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2917
Annotation	Paliurine E
Peak:m/z	Relative Intensity
57.03449	7.6
59.01381	3.7
59.63736	0.9
61.98844	4.8
69.00513	9.4
69.03434	1.5
71.01406	1.1
72.99309	6.1
73.02943	2.5
75.00883	1.4
83.05037	22.3
85.02963	2.5
87.00880	28.4
93.03438	1.0
95.08686	2.0
97.02982	1.2
97.85235	0.9
99.04527	4.5
101.06084	2.3
107.05046	2.9
112.63651	0.8
123.01933	0.8
123.08157	2.0
127.04024	13.9
129.37640	1.0
138.06836	3.0
139.07660	1.5
185.08229	8.6
271.20670	1.1
294.89569	1.0
299.20132	7.1
301.18222	1.1
321.22235	6.1
337.25443	2.8
343.19000	1.0
347.23947	1.2
363.23566	1.1
365.21185	8.7
377.59027	0.8
381.24713	1.8
383.17709	0.9
383.22382	3.1
399.25803	1.3
409.23993	1.1
417.17441	1.1
457.29669	4.2
471.23880	2.1
485.29321	1.9
487.27094	2.2
529.28094	14.2
547.29175	100.0
548.29492	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3124
Annotation	Coscinosulfate
Peak:m/z	Relative Intensity
55.01873	0.5
57.03448	0.8
58.00592	0.9
59.01381	13.4
61.98823	0.6
68.91769	0.5
69.03455	0.7
71.01387	9.4
71.05002	0.7
72.99320	2.4
73.02947	2.4
75.00856	0.5
83.01375	1.4
83.05024	0.6
84.02176	0.5
85.02567	0.4
85.02966	3.2
87.00893	1.5
87.04567	0.5
88.34245	0.5
89.02449	4.7
95.01389	0.5
97.02958	1.7
97.06616	0.5
98.22610	1.2
101.02435	5.0
103.85529	0.5
109.03002	0.5
109.06596	0.6
113.02430	2.4
115.04012	0.4
119.03508	0.8
125.02460	0.6
125.09727	1.1
126.03189	0.7
131.03526	1.9
137.09750	1.1
139.07675	1.5
149.04514	0.6
155.10847	0.6
161.04552	0.9
164.96892	0.4
170.13098	0.5
171.10283	1.3
173.04497	0.6
178.78394	0.5
185.11853	0.7
187.07692	0.5
189.01903	0.9
203.10551	0.6
207.19838	0.4
217.01413	1.7
229.33638	0.5
231.10191	1.0
253.18071	0.5
271.89462	0.6
287.23792	1.4
305.24951	1.9
323.25903	4.0
327.05130	0.9
331.22879	0.9
339.25375	1.1
341.27045	4.0
342.27359	0.5
349.23907	3.0
355.21231	2.7
367.24908	10.6
368.25140	0.7
373.16257	0.5
385.26004	14.4
385.30914	0.7
386.26279	1.2
410.80844	0.6
415.23477	1.1
487.25769	0.6
503.30420	1.6
529.29596	1.5
547.31274	100.0
548.31622	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36177	1.1
53.04158	0.9
57.37629	1.1
59.01368	2.1
59.55144	0.9
67.68679	0.9
69.11191	3.8
69.11616	3.8
78.95879	1.1
85.17217	0.9
91.03996	2.9
95.05036	3.0
105.03475	10.8
110.69934	1.0
132.02165	5.6
133.02971	42.4
134.03764	13.9
135.04501	3.6
137.02460	4.3
139.03973	1.0
147.04507	1.9
148.05336	6.5
149.06052	2.2
158.07368	1.2
160.01672	30.4
161.02477	18.7
161.06067	2.8
165.01842	1.1
166.72122	1.1
171.08144	0.9
175.04012	76.4
176.04372	3.1
177.01956	3.5
178.02716	4.0
179.03487	2.0
179.29559	1.0
193.05077	6.3
196.89500	1.1
233.08228	3.4
261.11182	1.5
275.12921	2.6
297.24469	10.2
329.17615	1.6
343.19131	5.0
347.19537	1.0
353.21167	2.1
387.29095	4.2
441.26517	7.0
455.28021	26.0
456.28256	3.1
459.27646	2.5
473.29105	49.8
474.29330	4.6
482.51013	1.1
532.30121	2.6
547.32794	100.0
548.33002	9.0
550.50153	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	26.9
61.10581	1.9
61.98824	12.2
63.83580	1.8
69.20316	1.9
71.01391	22.6
72.99314	2.5
73.02956	4.0
83.05062	2.2
85.02948	6.6
89.02456	43.1
99.00914	3.1
99.04531	2.5
101.02453	17.0
102.02834	2.3
113.02447	3.7
115.25562	2.1
119.03558	2.9
125.02477	7.0
126.99593	43.9
131.03522	23.2
149.04572	15.0
151.03163	3.6
162.83971	1.7
163.07697	9.9
165.04794	8.2
167.06334	32.6
176.79492	1.7
177.01909	2.4
188.80888	2.2
191.05629	22.8
203.03915	1.8
211.05331	100.0
212.05582	4.1
217.01437	2.2
253.06432	3.1
255.03024	4.0
284.03485	3.6
330.18005	2.2
342.07019	4.7
344.08771	2.3
399.85617	2.2
417.26526	5.4
486.28787	3.7
503.30258	2.8
504.30411	7.1
547.28748	3.1
548.29608	22.9
549.12634	2.6
549.30627	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	15.1
64.77182	3.1
69.73945	6.7
69.74334	9.1
71.01366	13.0
89.02453	13.0
91.39146	3.6
97.62630	3.1
101.02460	7.4
113.02435	3.8
114.44528	3.3
115.35538	3.4
132.02193	4.7
142.38741	3.8
151.00412	4.7
161.04349	4.1
161.23564	3.4
188.46623	3.2
227.03516	41.1
229.04651	3.3
255.02991	69.2
284.03268	100.0
285.04086	14.7
329.13992	3.6
371.94138	3.3
417.25211	5.2
549.12561	64.1
561.49982	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34250	18.5
69.08194	27.1
69.08598	100.0
71.01373	17.6
77.22777	19.0
79.91988	15.5
85.93541	17.2
88.66526	14.8
93.27790	18.6
99.66093	17.0
227.03436	27.1
239.51218	19.3
255.02983	68.1
284.03201	41.9
329.13962	28.6
355.98206	20.9
387.61926	19.5
391.04959	19.8
470.98260	19.0
510.34494	17.5
549.12604	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19707	1.2
52.19970	0.8
59.01385	3.2
61.98836	100.0
77.73139	0.8
81.98469	0.8
82.42784	0.8
82.43266	0.8
98.22521	2.3
147.43623	1.1
158.11189	0.9
175.56613	0.8
178.29736	1.0
192.29677	1.0
203.01990	0.9
256.96518	0.9
314.31583	0.9
411.80798	0.9
469.38803	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98176	5.0
57.90656	4.9
59.01385	91.4
69.29619	16.3
69.30045	20.9
71.01389	65.7
73.02945	12.9
83.01400	7.5
85.02967	17.2
89.02452	92.3
96.86901	5.7
96.96033	11.2
101.02444	59.9
113.02469	23.2
119.03499	21.2
125.02430	6.1
131.03514	65.0
149.04561	44.5
161.04645	21.3
176.02885	4.8
179.05646	23.2
191.05688	27.2
244.16319	5.2
300.02713	5.5
305.82117	4.2
373.22281	47.3
505.10205	7.5
505.26477	100.0
506.27112	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	8.1
59.01385	34.0
61.98835	9.5
68.40482	6.0
69.43271	44.9
71.01383	44.5
72.99306	13.1
73.02942	22.5
75.00875	11.8
83.01374	11.5
85.02954	30.6
89.02460	12.0
95.01416	7.9
97.02972	13.0
98.21783	13.9
99.00886	10.6
100.23257	8.2
101.02445	42.7
109.06603	12.7
113.02444	18.6
125.02427	7.9
131.03505	57.7
137.06094	27.1
138.06465	11.5
145.99539	7.7
159.03026	7.5
161.04572	22.1
171.71996	6.1
264.53830	6.9
362.04346	7.4
373.22385	100.0
505.26047	30.6
548.22089	28.1
549.22852	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	8.1
59.01385	34.0
61.98835	9.5
68.40482	6.0
69.43271	44.9
71.01383	44.5
72.99306	13.1
73.02942	22.5
75.00875	11.8
83.01374	11.5
85.02954	30.6
89.02460	12.0
95.01416	7.9
97.02972	13.0
98.21783	13.9
99.00886	10.6
100.23257	8.2
101.02445	42.7
109.06603	12.7
113.02444	18.6
125.02427	7.9
131.03505	57.7
137.06094	27.1
138.06465	11.5
145.99539	7.7
159.03026	7.5
161.04572	22.1
171.71996	6.1
264.53830	6.9
362.04346	7.4
373.22385	100.0
505.26047	30.6
548.22089	28.1
549.22852	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88718	2.9
61.98838	100.0
71.29915	4.6
78.95881	4.7
89.71456	3.1
101.38400	2.8
104.16975	3.3
106.74740	2.7
118.62112	2.9
149.81810	2.9
160.84322	4.0
162.83920	83.8
257.68137	3.3
308.18900	3.5
322.69809	3.3
485.33026	4.7
496.55051	3.0
503.46271	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	100.0
68.99184	54.3
94.48192	5.9
104.75292	5.9
115.38358	5.5
257.94559	6.5
316.51352	6.9
510.66586	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
67.25325	2.0
70.18779	7.1
78.95925	2.5
80.55279	1.7
84.68793	2.1
90.68674	2.1
96.82993	1.7
98.51858	2.0
121.62974	2.0
124.62994	2.5
152.99640	2.6
160.84190	4.2
246.02255	1.9
380.98438	2.3
402.87216	2.4
576.72699	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27665	0.5
57.28580	0.5
64.74812	0.5
66.71201	0.5
70.56929	0.5
73.75828	0.5
78.95910	29.6
79.39175	0.5
79.95766	3.2
83.01396	0.9
91.77058	0.5
94.03992	0.5
96.96017	100.0
96.96971	39.9
97.02962	0.9
109.02973	2.8
123.04532	1.5
125.02436	2.1
135.04503	0.6
137.02446	12.9
139.04079	0.6
149.02501	0.8
151.04031	1.1
159.69742	0.6
161.02414	1.5
161.06062	0.6
165.01958	1.0
175.04057	0.5
176.45015	0.5
179.03522	1.5
203.07158	1.7
205.05074	0.7
206.99825	0.7
224.15329	0.5
234.09605	0.5
238.98714	0.7
245.08191	3.0
249.00858	1.8
289.07199	18.9
290.07614	0.9
299.07706	1.3
301.04004	1.0
327.01984	3.5
337.02405	1.1
345.02875	2.0
359.00861	3.1
387.03928	2.2
397.04932	1.3
451.12527	6.7
489.07333	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
68.88357	0.4
68.95949	4.5
78.95910	26.4
79.95737	2.5
83.01395	0.9
96.96015	100.0
96.96970	36.9
109.02941	2.1
115.00240	0.4
115.98946	0.4
123.04536	1.0
125.02447	1.5
137.02464	9.4
149.02374	0.8
151.04016	0.6
161.02448	1.9
164.01094	0.7
165.01935	0.8
179.03477	1.0
188.04716	0.4
203.07176	2.2
205.05081	1.4
206.99692	0.7
245.08171	2.8
249.00720	1.5
283.02954	0.6
289.07202	18.7
290.07535	1.1
293.28131	0.4
295.01379	0.6
299.07751	0.8
301.03943	1.0
316.99783	0.6
327.01965	3.0
337.02698	1.2
345.02890	1.4
359.00961	2.7
365.60873	0.5
387.03928	2.5
397.04553	1.0
451.12537	6.9
489.07254	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09768	0.3
59.01373	0.6
61.98823	0.7
67.03303	0.3
68.43816	0.4
71.32211	0.6
75.48145	0.3
77.03970	1.8
78.95944	0.3
93.03473	0.5
99.20310	0.3
106.11336	0.3
121.02970	100.0
122.03314	2.1
165.01947	57.8
166.02328	1.7
177.89668	0.4
180.05760	0.6
181.06647	2.1
197.06155	2.2
207.04526	0.6
207.08003	0.4
207.90625	0.4
222.38763	0.3
225.05646	1.6
228.03777	0.4
239.33011	0.3
257.09641	0.6
284.03400	0.6
313.07275	1.7
324.32031	0.4
357.06091	0.9
383.07776	0.5
417.09714	2.0
505.11758	1.8
540.10468	0.4
549.10468	27.4
549.26013	1.4
550.10614	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.0
59.01385	4.8
61.98837	5.0
62.04718	0.4
63.96250	0.8
71.28250	0.7
73.02947	2.6
83.01379	1.0
84.95119	0.7
85.02950	1.3
89.02455	1.3
97.02967	1.0
99.04534	4.0
101.02465	2.1
107.01414	1.0
107.05025	0.5
109.06611	1.6
111.08146	0.5
113.02464	0.7
117.97337	2.0
119.82608	0.4
125.02475	1.1
131.03522	0.5
132.02264	1.0
133.10779	0.5
135.00909	1.4
139.11288	0.9
141.07114	1.1
149.04652	0.7
151.00357	1.5
155.08295	0.5
159.04515	0.6
159.08141	0.5
161.04570	8.0
163.00401	1.2
163.11301	2.7
178.99881	0.9
181.12340	1.4
183.04582	1.2
183.10286	1.3
185.02472	0.7
185.05988	0.8
187.04019	0.6
199.13333	0.7
201.05510	0.6
207.10416	0.6
211.04042	1.8
213.05646	0.8
223.11317	1.4
225.11266	0.8
227.03513	35.5
228.03979	1.2
229.05046	3.1
239.03563	0.9
243.03172	0.5
243.12350	5.6
251.14468	0.7
255.03004	69.1
256.03528	6.8
257.04535	1.6
263.07736	1.0
269.04507	1.6
283.02582	1.5
284.03281	100.0
285.03952	20.6
285.13385	1.4
286.04327	0.7
297.07559	0.6
298.03836	1.0
327.04907	0.6
340.09360	1.5
341.10263	2.7
355.11859	1.6
371.20697	2.3
372.12280	1.6
387.14484	6.5
399.07205	1.8
405.18005	1.0
417.08249	0.8
475.19855	0.9
503.25705	0.6
505.24286	1.3
549.12469	71.8
549.22992	12.2
550.12830	6.6
550.23407	1.4
553.99194	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
59.01144	0.2
59.01384	2.6
63.02394	0.3
65.00322	0.7
67.53052	0.2
70.82018	0.4
74.76409	0.2
79.95746	0.3
83.01394	0.4
83.05039	0.2
84.85738	0.2
85.02956	0.5
89.02424	0.4
89.52508	0.2
93.03448	0.5
96.96013	4.7
96.96959	0.3
99.04489	0.4
101.02442	0.8
107.01395	1.3
109.02936	0.5
109.06641	0.3
121.02970	0.2
125.02457	0.3
131.03482	0.2
132.02179	1.4
132.51575	0.2
135.00873	1.5
139.07648	0.4
147.35197	0.2
151.00371	2.4
152.01201	0.3
157.06627	0.3
159.04550	0.4
161.04552	0.7
163.00337	1.3
164.01152	0.3
164.19324	0.2
167.05005	0.3
169.01382	0.3
171.04439	0.4
178.99884	1.9
181.12328	0.5
183.04567	1.0
185.02457	0.7
185.06046	0.7
187.03995	0.9
189.01996	0.3
189.05568	0.3
190.99898	0.4
195.04466	0.4
197.06137	0.2
199.04018	0.6
200.04765	0.4
211.03938	2.4
213.02019	0.2
213.05602	0.6
223.80884	0.3
225.11336	0.5
227.03508	39.1
228.03868	2.4
229.05083	2.7
239.03508	1.1
240.04222	0.5
241.05028	0.4
243.12321	0.5
255.02992	70.4
256.03564	6.7
257.04587	1.8
267.02713	0.3
283.02496	0.6
284.03265	100.0
285.03943	20.7
286.04315	0.7
309.04138	0.6
325.07043	0.3
327.05081	0.5
340.09204	0.2
397.02472	0.2
399.07175	2.2
417.08191	0.7
459.09171	0.3
489.04883	0.4
505.24701	0.2
549.12518	71.8
549.22363	2.4
550.12781	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51959	0.9
59.01361	1.5
70.45423	1.6
70.45757	1.3
71.01380	2.7
72.99303	3.0
73.02948	17.2
76.58477	0.9
78.95905	6.8
79.68926	0.9
81.03459	3.1
83.05026	6.5
85.02962	4.0
87.00907	0.9
93.03461	52.2
96.96021	9.6
96.96962	9.6
99.00915	5.5
99.04530	7.6
101.02486	1.0
109.02962	1.7
110.12988	1.0
111.04523	21.5
125.02475	2.4
129.01994	3.0
129.05612	1.7
131.08276	20.9
137.02451	18.2
143.03517	2.9
149.02451	3.0
150.03209	6.1
152.95653	0.9
155.03500	17.0
156.07822	1.0
161.04579	1.0
164.04831	2.4
165.05563	14.1
173.04553	100.0
173.10439	14.5
174.04892	2.5
195.06622	5.8
289.07254	3.5
327.10822	4.7
357.10886	1.1
387.03961	1.1
451.12289	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98817	1.5
69.03465	1.4
69.07176	9.8
71.01405	6.2
85.02968	2.3
89.02455	1.7
97.02955	3.1
101.02454	1.2
125.02453	1.9
127.48349	0.9
135.04559	1.2
137.02431	1.1
146.03868	1.1
151.31175	1.1
171.71568	1.0
173.06122	1.6
227.64554	1.0
281.11722	1.3
289.07550	0.9
309.11310	4.7
347.79245	0.9
357.13495	18.1
358.13693	1.6
475.17645	1.2
487.17667	2.6
549.26080	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.3
57.03447	3.7
58.00574	2.8
59.01092	3.9
59.01385	70.5
59.52401	1.5
69.48121	7.6
71.01390	73.6
72.99295	2.2
73.02950	14.4
79.35364	1.7
83.01394	7.0
85.02964	29.0
87.00885	5.8
89.02456	53.9
93.03493	2.0
95.01399	4.8
96.96037	1.8
97.02960	3.0
98.21817	2.1
99.00909	9.4
101.02449	43.3
113.02477	24.3
117.97323	5.0
119.03506	16.1
125.02463	6.0
131.03519	19.9
143.03534	8.7
149.04588	14.7
159.02945	1.9
161.04575	38.4
167.14754	1.7
173.04547	2.3
177.09251	7.6
179.05640	8.1
181.37567	1.9
187.09769	2.9
188.15784	1.8
191.05638	16.5
195.10353	3.9
225.02821	1.9
293.08804	2.1
321.04422	4.3
322.00568	1.8
357.15570	100.0
358.16019	7.3
417.24976	13.0
489.19809	40.7
490.20325	3.8
505.30273	2.0
549.16364	2.5
549.29486	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2265
Annotation	ent-Alpinnanin B
Peak:m/z	Relative Intensity
57.03426	8.4
59.01369	32.4
59.74987	5.5
61.98841	29.1
63.42582	4.9
71.01393	19.1
73.02946	28.7
83.01356	7.9
83.05018	6.2
85.02956	8.2
87.00865	10.8
87.04485	5.7
89.02452	33.9
97.02911	6.8
99.04473	6.9
101.02438	13.7
113.02444	7.5
121.06538	6.2
125.02457	6.0
125.09758	12.9
126.42640	6.8
132.60884	6.0
139.07695	7.5
140.84492	5.8
149.04543	6.3
150.06975	6.2
151.23268	5.5
159.10403	4.6
161.04607	9.5
165.11722	5.1
169.08672	6.5
193.20831	5.0
255.02968	10.3
284.03229	15.3
397.67908	5.7
415.25146	6.3
418.26587	7.8
504.86777	6.9
505.31708	18.0
513.25018	55.6
513.35022	5.8
514.25085	7.5
549.12933	13.8
549.22565	78.0
549.30707	100.0
550.22992	7.5
550.30713	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.227
Annotation	ent-Alpinnanin B
Peak:m/z	Relative Intensity
59.01382	23.3
60.38287	11.7
61.98838	12.4
68.99536	100.0
74.66125	15.0
98.22602	27.7
109.02937	17.0
125.02467	26.4
129.09859	13.2
137.02342	13.2
140.63229	12.9
150.74031	12.2
162.59189	12.9
167.03477	17.0
217.67116	12.7
229.74861	14.3
307.45560	15.9
359.65857	15.1
415.21161	25.3
513.27014	21.8
549.23267	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03454	3.2
59.01385	5.9
60.99292	0.8
69.03444	1.4
69.37856	3.6
70.14326	0.4
71.01387	3.9
71.05038	2.5
73.02952	12.9
73.38162	0.5
83.06510	0.5
85.02929	1.4
87.00874	0.9
87.04515	0.5
89.02459	3.0
94.04244	0.9
95.05009	0.9
97.02974	4.7
99.04514	1.7
101.02447	3.5
107.05040	1.5
109.06599	11.7
111.08167	0.7
113.02437	1.2
119.03531	0.6
121.03053	0.7
121.06617	2.8
123.08187	0.9
125.02401	1.4
131.03508	1.6
133.06564	0.6
139.07632	1.0
141.07120	4.1
149.04561	2.0
149.06142	0.6
151.04033	1.1
151.07697	0.7
153.05595	0.6
159.08154	4.4
161.04588	4.5
161.05807	0.8
161.09703	1.8
163.11302	19.4
164.11646	0.6
165.05560	0.7
166.06329	0.6
167.07094	0.6
177.09230	0.7
179.05664	0.5
179.10774	0.9
181.12346	3.6
183.10286	0.8
186.77811	0.6
191.05594	1.4
194.05792	1.3
195.06564	2.3
199.11214	1.7
207.10207	3.3
217.12280	0.7
222.10576	3.0
223.09444	0.6
223.11331	7.5
224.11688	0.6
225.11336	5.5
227.03514	3.3
228.04018	0.5
229.04976	0.7
241.12526	0.5
243.12433	3.1
251.14386	5.3
255.02988	7.0
257.04666	0.6
259.37262	0.5
261.11316	0.7
261.57236	0.6
269.15454	1.4
277.12238	0.7
279.12320	3.1
284.03247	11.4
285.04071	4.8
286.04367	0.7
295.13306	0.8
355.15817	0.7
367.18930	0.7
371.18521	0.7
385.20370	1.0
387.14703	1.1
405.18094	0.7
415.17590	1.5
417.24969	1.1
443.24362	2.5
447.20706	0.6
448.47934	0.6
466.77466	0.6
475.19766	6.6
487.23331	1.8
505.24411	7.3
506.25110	0.6
531.21802	0.9
549.12909	8.1
549.23395	100.0
550.13928	0.8
550.23694	11.6
569.70392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87016	1.8
53.72357	1.9
57.03444	6.6
59.01379	17.4
62.21425	2.2
63.96251	2.5
69.00303	15.0
69.00703	4.2
69.03464	2.3
71.01382	8.7
71.05051	1.7
72.99323	3.3
73.02963	11.0
74.99090	3.4
79.39463	1.7
79.95720	3.5
83.05036	2.4
85.02959	12.4
87.00887	3.7
89.02445	6.1
89.55970	2.1
94.81197	1.7
95.05038	3.6
96.95998	3.1
97.02956	4.7
97.06597	4.8
98.22536	4.3
98.95598	3.4
99.04527	12.6
99.92588	5.5
100.63985	1.8
101.02461	6.6
106.38827	1.9
107.05036	8.0
109.02964	4.0
109.06593	17.0
109.67205	2.5
111.04553	3.4
113.02417	3.4
115.92075	4.4
119.03589	2.5
121.06599	5.4
123.04539	3.5
125.02471	2.2
125.06089	12.2
127.07654	4.4
134.06108	4.0
135.04567	4.1
135.98395	8.8
137.06100	3.6
149.06134	3.2
150.40604	2.1
155.07140	2.3
159.08151	4.3
161.04697	2.3
161.09734	5.1
163.03979	3.1
163.11273	10.4
165.05553	2.3
169.08707	3.3
177.09187	13.5
179.10782	4.1
181.12410	6.0
187.07626	3.6
189.09213	2.5
190.05109	8.5
191.05652	4.5
194.05881	2.5
195.06714	2.3
199.11382	1.9
209.04579	2.0
217.08752	2.1
222.07675	4.1
222.10573	2.4
223.11269	6.7
225.11284	9.8
231.10194	2.4
233.08273	2.5
239.10805	2.5
242.97504	3.6
251.14328	2.1
256.99243	3.1
295.61011	2.0
306.07553	3.6
313.14630	4.5
315.03348	2.8
337.12064	4.2
349.17349	2.1
359.02203	5.3
383.18265	2.1
385.19629	2.2
401.19821	3.7
411.18375	3.8
417.24945	2.4
419.20801	5.7
429.19394	6.8
431.21021	2.2
447.20203	5.3
457.93982	2.1
469.05826	3.3
475.19742	5.8
487.06967	6.3
487.23233	10.0
505.24524	22.4
506.24930	2.3
517.18060	7.1
549.23322	100.0
550.23761	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
57.03433	2.8
58.00572	1.2
59.01094	1.1
59.01383	15.7
61.44319	0.9
64.58538	1.0
69.03455	2.2
69.23070	6.0
69.23465	1.8
71.01389	9.5
71.05018	3.9
72.99303	1.3
73.02958	13.8
75.00861	1.5
77.60329	1.1
81.03441	1.0
85.02965	5.0
89.02460	7.5
95.05021	1.9
97.02983	5.5
98.21813	2.6
99.04541	1.6
99.92577	3.3
101.02450	7.0
107.05037	2.0
109.06607	13.5
113.02448	2.8
116.92865	19.6
121.06588	2.3
123.04504	1.3
123.08086	1.4
125.02456	1.6
131.03497	1.7
133.06639	2.6
137.06059	3.6
139.07695	1.3
149.04489	1.6
149.06123	1.4
151.07690	2.3
152.18098	1.0
153.39890	1.1
159.08150	3.7
161.04561	4.5
161.06093	4.1
161.09714	2.8
163.07503	1.2
163.11288	14.2
167.07158	1.4
177.09155	2.4
177.83395	1.0
181.12361	1.5
183.58563	1.1
191.05591	3.5
195.06587	4.8
207.10197	3.8
225.11238	2.7
227.03381	5.3
255.02985	10.2
269.15543	2.4
284.03296	12.2
285.03796	4.0
293.52939	1.1
327.21774	2.1
363.14481	2.4
369.22714	4.0
371.20172	1.2
387.14371	2.0
387.23718	5.1
417.24988	7.7
461.25058	2.7
466.53387	1.4
475.19595	4.4
487.23041	1.8
503.24533	2.1
505.24606	8.4
531.22198	1.7
535.37659	1.4
549.12701	10.3
549.23291	100.0
550.11731	1.4
550.23792	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03440	2.5
59.01385	12.9
61.98804	0.7
69.03445	2.4
69.11349	4.6
71.01035	0.7
71.01390	8.1
71.05031	2.5
72.99294	1.5
73.02949	10.1
75.00850	1.3
77.72678	0.5
81.03442	0.6
83.01378	1.7
83.05003	1.3
83.63246	0.5
85.02954	4.1
85.59112	0.5
88.62550	0.5
89.02459	5.3
93.03449	0.8
95.05021	1.4
97.02959	8.3
97.06620	0.7
98.22643	0.8
99.00872	1.0
99.04507	1.3
101.02446	4.7
104.53873	0.6
105.07098	0.8
107.05031	4.0
109.02963	0.9
109.06608	13.1
110.00548	0.5
111.04531	1.6
111.08174	0.7
113.02452	2.9
113.06093	0.9
119.03504	1.9
119.05061	0.7
121.06587	3.2
123.04498	1.1
123.08190	1.0
125.02459	0.6
125.06069	0.8
131.03516	1.4
131.08749	0.6
132.94618	0.5
133.06586	2.8
135.04449	0.6
135.08133	0.7
137.02351	0.7
137.06117	2.6
139.07626	1.2
141.07088	0.9
145.06577	0.6
148.08841	0.6
149.04539	1.6
149.06036	1.4
151.03979	1.6
151.07634	1.3
153.05556	0.9
159.03047	0.8
159.08173	8.0
161.04558	3.0
161.06073	9.4
161.09676	1.8
163.07602	1.0
163.11299	14.0
164.11696	0.9
167.07062	0.8
175.07602	0.9
177.09235	2.1
179.10762	0.8
180.04301	0.8
181.12302	1.6
191.05591	1.7
191.10875	0.5
195.06615	3.4
201.12949	0.8
205.08716	0.6
205.64056	0.5
207.10225	5.2
213.05502	0.5
213.12764	1.1
222.10457	0.9
223.11244	1.5
225.11317	3.1
227.03497	1.4
231.10341	0.9
241.12437	0.6
251.10915	0.6
251.14368	2.1
255.02968	2.4
257.11609	0.9
269.15436	6.1
271.13324	0.7
281.13873	0.8
284.03226	3.6
295.13345	0.7
309.18567	0.6
327.15823	0.7
327.21701	1.7
345.13696	0.9
355.15369	1.0
363.14413	3.1
369.17419	0.9
385.20230	0.7
387.14249	0.7
387.24173	2.6
415.17340	1.1
417.24930	11.1
423.23898	1.1
443.24463	0.7
445.22720	0.6
451.23264	1.8
455.17453	1.0
473.17804	0.9
475.19464	3.9
484.32455	0.6
491.18896	1.1
505.24475	8.9
506.24612	1.5
513.21210	0.6
531.22198	1.8
549.23352	100.0
550.23761	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	26.8
59.01381	32.3
61.98824	2.4
69.03470	13.6
71.01389	16.9
71.05029	3.4
71.31533	2.2
72.99326	5.4
73.02958	8.6
79.01931	2.2
81.03468	3.9
83.01374	2.6
83.05035	6.1
84.82935	1.8
85.02947	11.0
85.06602	3.0
87.00897	3.5
87.04534	4.4
88.98823	2.0
89.02436	15.9
93.03440	2.6
93.07067	2.0
93.71420	1.7
94.09992	1.6
95.01367	2.2
95.05041	6.6
97.02952	19.3
97.06602	3.9
99.04514	11.3
101.02438	13.8
101.06079	2.9
107.01402	6.2
107.05060	4.9
108.02195	5.6
109.02977	10.8
109.06606	9.3
111.04500	8.7
111.08179	6.7
113.02459	7.1
115.92104	2.3
119.03516	4.2
121.02964	3.0
121.06593	5.1
122.03705	3.1
123.00888	1.9
123.04518	6.8
123.08158	5.7
125.02462	8.4
125.06123	1.9
129.05592	40.6
131.03537	2.3
133.06607	2.3
135.04553	3.9
135.08150	3.1
137.02455	4.7
137.06091	10.4
139.07668	4.1
143.03586	2.6
149.04568	2.5
149.06046	4.0
149.09695	2.5
151.00366	5.3
153.01942	10.3
155.07155	5.1
159.08151	1.8
161.04489	2.3
163.07701	2.4
165.09210	4.0
169.12331	2.0
171.08096	2.0
175.07693	2.1
177.09254	3.1
185.11850	16.4
187.11220	2.4
189.09225	3.7
191.05684	1.8
191.10847	2.2
193.08658	2.0
197.06050	3.7
201.09229	2.1
203.07080	2.5
205.08652	2.7
209.11752	2.4
211.09755	2.6
217.12419	2.9
229.12207	3.1
232.82755	1.8
237.09006	2.0
242.05840	5.5
243.06654	13.7
255.02928	3.2
269.11844	2.3
271.13593	2.0
277.12378	4.4
279.05197	6.0
284.03229	3.8
291.19650	5.6
295.13397	7.8
297.06021	8.8
309.20700	5.7
313.14331	4.4
325.23822	14.0
327.21759	89.4
328.22150	4.7
339.07312	5.5
379.10165	2.4
387.23877	100.0
387.27753	21.6
388.24115	5.0
389.16135	4.1
405.11923	6.3
407.22372	3.1
417.24896	6.2
429.24890	3.9
433.19595	4.4
447.13144	3.5
451.21130	32.0
452.21790	2.7
457.18790	4.1
469.22229	4.4
471.20108	3.0
473.17957	2.0
491.19278	12.5
495.20544	9.2
505.24203	3.4
513.21179	13.0
531.22546	7.9
549.23389	61.7
549.30652	15.3
550.23761	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75385	1.2
57.20407	1.0
59.01365	4.3
61.98814	1.3
71.01373	4.8
72.99313	2.7
85.02970	2.0
89.02445	4.0
97.02966	2.6
98.22321	6.5
101.02477	2.0
101.52396	1.2
114.57140	1.2
121.06705	1.0
121.26330	1.1
123.04507	1.2
137.06085	2.4
147.68996	1.0
149.09735	4.7
150.40730	1.3
153.88965	1.1
193.08818	2.4
217.01416	1.4
249.55141	1.2
255.10185	1.7
270.12576	4.0
271.09784	1.8
283.09778	18.7
286.12067	2.3
295.72556	1.1
297.11337	2.5
298.12167	15.8
299.09308	2.3
301.14453	5.1
310.08435	5.5
311.09402	8.1
312.09775	1.7
313.14560	5.6
314.11484	1.6
325.10886	6.1
326.11636	7.6
329.13977	8.3
340.13144	5.6
341.13968	12.1
342.10803	2.0
355.15421	6.7
357.09152	2.4
357.13483	33.9
358.13718	2.0
372.15857	15.9
387.18195	100.0
388.18393	7.0
443.24008	1.5
503.26331	4.6
531.26093	5.9
549.26898	16.5
550.27637	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34493	2.0
57.03457	10.3
59.01144	2.2
59.01386	29.4
64.91983	1.7
69.03443	3.9
69.30206	7.7
69.30621	6.7
71.01388	10.8
71.05008	3.4
72.99305	4.7
73.02951	12.5
75.00871	7.6
83.05048	4.3
85.02959	9.4
87.00893	3.6
87.04523	44.5
88.98784	2.6
89.02424	3.6
93.03443	4.1
95.05007	5.6
97.02958	13.0
97.06614	2.5
99.00900	2.7
99.04502	3.2
100.66016	2.2
101.02441	3.2
107.05046	4.0
108.02184	2.6
109.06606	26.3
111.04507	5.3
111.08181	2.7
113.02449	2.7
121.06582	9.2
122.03754	14.8
123.04549	13.8
125.06144	4.7
127.07650	4.3
129.05557	2.9
131.03493	8.5
135.04544	14.4
137.06097	42.3
137.09709	2.3
139.07652	5.5
141.05574	2.4
149.06076	3.3
149.68658	2.3
151.07613	3.6
155.07213	2.4
159.08167	2.2
163.11282	3.3
165.09225	2.7
167.07185	12.3
169.88297	2.2
174.06764	2.1
175.11316	2.0
177.09216	6.0
179.10728	6.5
189.09219	2.9
191.07211	2.8
193.08710	2.9
195.10243	2.4
201.09204	2.7
207.10255	4.2
217.12381	4.8
219.10236	4.2
225.11244	3.4
231.10178	2.0
233.11928	2.1
237.11371	4.0
239.79128	1.9
241.08687	2.6
243.10153	2.5
259.09695	8.9
261.11349	18.9
279.12271	4.9
313.14243	4.0
327.21811	2.2
387.14362	4.0
397.20114	3.8
399.18057	3.6
411.16708	4.3
429.19159	3.6
469.22104	2.7
487.23129	5.3
501.21384	4.2
505.24585	25.5
513.21356	3.5
519.22302	9.2
531.22205	8.2
549.23315	100.0
550.23462	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.6
59.01385	12.6
69.14003	2.5
69.14428	4.2
70.48085	0.9
71.01387	8.8
73.02957	3.7
73.95535	0.7
75.00858	1.8
83.01422	1.5
85.02950	10.1
87.00867	2.2
89.02450	2.9
89.70800	0.8
95.05066	1.1
96.96004	9.4
97.02965	0.8
97.06612	0.9
99.00866	1.0
99.04493	1.9
101.02456	7.5
102.43369	0.7
107.05045	2.9
109.02943	2.6
109.06599	10.9
111.04508	2.9
112.07668	0.9
113.02449	3.4
120.34884	0.7
121.06609	2.7
122.03792	1.1
123.04472	1.7
123.08204	1.5
125.02499	1.5
125.06093	3.3
131.03479	0.9
135.04527	2.2
135.08154	1.3
137.06151	4.0
139.07680	6.2
143.03490	1.3
144.30775	0.7
147.08101	1.4
149.04648	0.9
149.06076	1.7
151.07625	1.4
159.04460	0.8
159.08148	0.9
161.04547	3.2
161.05960	1.4
161.09674	2.3
163.07628	3.5
164.08350	1.3
165.09103	0.8
173.06126	0.9
175.07628	3.4
177.09248	1.7
178.07664	0.7
179.07187	0.9
179.10796	7.0
187.07683	1.3
189.05612	0.9
189.09151	1.4
191.05624	1.6
191.07138	1.0
191.10715	1.0
193.08736	1.2
200.04730	0.8
203.07130	2.5
203.10931	1.0
205.08702	1.1
207.10223	1.1
215.06956	1.0
225.11282	0.9
227.03419	6.3
229.05066	0.9
229.08592	1.7
231.10439	1.8
233.08278	0.9
245.11928	1.4
255.03026	11.7
255.10245	1.6
256.03485	1.4
257.11862	0.9
273.11359	3.5
284.03268	18.7
285.04047	4.0
299.16693	1.0
301.14667	1.5
325.07047	1.9
325.14349	1.7
332.47534	1.0
339.19971	1.0
340.09601	2.0
343.15396	1.1
383.18674	2.2
387.14529	1.3
401.19608	1.7
411.18381	1.7
415.25000	1.7
417.24924	17.8
418.25269	1.3
431.20538	2.6
447.20132	1.3
487.23795	1.4
549.12665	10.7
549.23340	100.0
550.12970	1.2
550.23480	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.9
57.03443	1.8
59.01381	9.9
61.98812	0.7
69.03456	1.0
69.53493	2.9
71.01392	3.9
71.05032	3.7
72.99319	0.9
73.02954	12.8
75.00881	0.8
83.01386	1.0
83.04986	0.6
85.02954	2.3
87.00908	0.6
87.04490	0.6
89.02435	2.7
93.03442	0.8
95.05038	0.5
97.02938	5.8
99.04514	0.9
101.02448	3.4
107.05019	2.0
107.08659	0.7
109.05922	0.9
109.06606	13.3
110.06911	0.5
111.00885	0.8
111.04498	0.9
111.08136	1.4
113.02435	1.3
119.03490	0.7
121.06577	2.2
122.03755	0.6
122.81400	0.5
123.04564	0.9
123.08161	1.7
125.06182	0.5
131.03427	0.8
133.06587	1.4
135.04570	0.8
135.08171	1.3
137.06071	1.5
139.07651	1.6
148.08852	1.2
149.04599	0.7
149.06052	1.3
151.00386	0.5
151.04024	1.6
151.07642	1.3
151.11342	0.8
159.08163	1.2
161.04570	1.3
161.08527	0.6
161.09679	3.5
163.07666	0.5
163.11307	22.2
164.11656	0.9
165.09213	0.6
165.12717	0.6
167.07140	1.4
169.04987	0.7
175.11299	0.6
177.09229	2.0
179.10777	0.8
181.12312	2.2
191.05608	1.0
194.05867	2.0
195.06696	3.3
203.07254	1.0
207.10301	4.1
225.11311	2.3
227.03503	4.1
255.03020	6.7
256.03613	0.6
269.15427	2.5
271.13644	0.6
284.03259	9.5
285.03870	2.2
287.16397	0.6
295.13351	1.3
309.18903	0.6
313.14487	1.0
369.22791	1.0
371.18652	0.6
385.20099	0.9
387.23917	1.0
393.78830	0.5
403.21106	0.7
415.17679	1.9
417.25027	5.9
418.25156	0.6
427.21390	0.7
431.20657	2.7
433.18570	0.6
443.24570	0.9
445.65744	0.6
461.25397	3.7
475.19733	6.0
487.23499	2.2
505.24359	8.6
506.25146	0.8
531.22229	2.5
543.38867	0.7
549.12921	5.9
549.23315	100.0
550.23669	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	7.0
59.01380	7.7
61.98848	2.1
69.03456	2.8
71.01379	4.5
71.28998	2.0
72.99314	2.4
73.02944	2.8
75.00904	1.4
77.73064	1.4
79.05526	2.5
81.03452	2.4
82.75746	1.5
83.01406	3.0
83.05035	4.7
85.02952	4.3
85.06634	1.6
87.00877	5.8
89.02452	4.0
93.03470	2.0
95.05033	5.5
97.02970	5.9
101.02456	2.2
107.05031	4.0
107.91168	1.6
109.02956	2.3
109.06640	4.0
111.04542	6.8
111.08173	8.5
112.93374	1.8
113.02474	4.7
115.25114	1.4
119.04964	1.6
121.06608	5.2
121.10188	2.3
122.03688	2.0
123.04552	4.8
123.08196	2.7
125.02391	1.8
125.06112	2.2
129.05588	29.2
131.03497	1.6
131.05025	2.8
131.08694	5.9
133.06609	5.6
135.04549	3.9
135.08240	1.6
137.06075	6.4
139.03986	3.1
145.86012	1.6
147.04575	4.0
147.08157	4.8
149.04492	1.5
149.06108	5.7
149.09720	6.8
151.07614	2.7
153.05742	1.5
155.07144	7.7
159.04483	2.1
159.08203	2.0
161.09747	2.0
163.11327	1.9
165.09213	22.2
171.06703	3.4
171.08076	3.8
173.09743	3.9
175.07649	3.5
177.05580	2.6
177.09216	2.5
179.10786	2.0
181.98985	1.7
187.11339	2.0
189.09224	4.6
191.10793	12.7
193.08716	7.7
205.12367	1.9
209.12003	3.2
211.11325	3.1
229.12393	7.4
233.11749	3.6
235.09688	10.4
243.10280	2.9
253.10815	1.9
255.03015	5.5
269.11813	2.5
269.15350	1.8
272.03275	5.2
273.04031	2.0
274.81085	2.3
277.12494	3.0
287.05646	11.5
288.06363	3.1
295.13205	6.0
313.11182	2.4
313.14548	6.7
315.08774	4.4
324.06067	2.0
325.07123	2.3
326.08011	27.0
327.08655	4.8
337.13104	5.4
339.12445	2.3
340.09406	1.7
341.10309	35.3
342.10980	4.0
343.08255	3.2
345.13263	4.9
353.25610	1.5
355.11981	2.9
356.12662	23.8
357.09613	2.7
357.13483	10.1
358.10748	3.7
371.15024	64.1
372.15442	3.6
373.12973	34.7
374.13358	2.9
387.14270	8.0
388.15350	14.9
389.21286	5.4
403.17661	100.0
404.17981	5.1
407.22247	2.8
411.16418	1.9
433.20160	1.9
451.21252	17.5
469.22223	19.2
487.23471	9.7
495.20316	3.2
501.15390	2.2
501.65677	1.6
505.24747	3.0
505.31717	3.4
506.26886	4.5
513.21320	13.5
531.22473	40.6
532.22223	2.1
549.23273	28.5
549.30542	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.9
57.03443	1.8
59.01381	9.9
61.98812	0.7
69.03456	1.0
69.53493	2.9
71.01392	3.9
71.05032	3.7
72.99319	0.9
73.02954	12.8
75.00881	0.8
83.01386	1.0
83.04986	0.6
85.02954	2.3
87.00908	0.6
87.04490	0.6
89.02435	2.7
93.03442	0.8
95.05038	0.5
97.02938	5.8
99.04514	0.9
101.02448	3.4
107.05019	2.0
107.08659	0.7
109.05922	0.9
109.06606	13.3
110.06911	0.5
111.00885	0.8
111.04498	0.9
111.08136	1.4
113.02435	1.3
119.03490	0.7
121.06577	2.2
122.03755	0.6
122.81400	0.5
123.04564	0.9
123.08161	1.7
125.06182	0.5
131.03427	0.8
133.06587	1.4
135.04570	0.8
135.08171	1.3
137.06071	1.5
139.07651	1.6
148.08852	1.2
149.04599	0.7
149.06052	1.3
151.00386	0.5
151.04024	1.6
151.07642	1.3
151.11342	0.8
159.08163	1.2
161.04570	1.3
161.08527	0.6
161.09679	3.5
163.07666	0.5
163.11307	22.2
164.11656	0.9
165.09213	0.6
165.12717	0.6
167.07140	1.4
169.04987	0.7
175.11299	0.6
177.09229	2.0
179.10777	0.8
181.12312	2.2
191.05608	1.0
194.05867	2.0
195.06696	3.3
203.07254	1.0
207.10301	4.1
225.11311	2.3
227.03503	4.1
255.03020	6.7
256.03613	0.6
269.15427	2.5
271.13644	0.6
284.03259	9.5
285.03870	2.2
287.16397	0.6
295.13351	1.3
309.18903	0.6
313.14487	1.0
369.22791	1.0
371.18652	0.6
385.20099	0.9
387.23917	1.0
393.78830	0.5
403.21106	0.7
415.17679	1.9
417.25027	5.9
418.25156	0.6
427.21390	0.7
431.20657	2.7
433.18570	0.6
443.24570	0.9
445.65744	0.6
461.25397	3.7
475.19733	6.0
487.23499	2.2
505.24359	8.6
506.25146	0.8
531.22229	2.5
543.38867	0.7
549.12921	5.9
549.23315	100.0
550.23669	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68390	2.1
51.97908	2.3
57.03435	2.6
58.38305	2.4
59.01365	8.0
69.03430	2.6
69.74850	13.1
71.01359	9.2
71.05013	3.0
71.50711	2.1
73.02933	7.7
83.05032	5.1
85.02936	6.3
87.04519	4.0
89.02437	5.1
95.05009	3.9
96.95981	3.0
97.02962	12.8
99.04544	4.0
99.08115	2.6
101.02358	2.5
108.05815	7.1
109.02961	4.0
109.06570	3.9
111.04485	7.5
111.08131	4.1
113.06068	9.2
119.08633	2.8
121.06554	2.7
122.03690	8.7
123.04501	2.8
123.08150	6.7
125.06051	10.6
127.07672	33.0
129.05547	3.5
129.09253	4.3
136.05263	7.6
137.06024	10.7
138.06935	13.9
139.06815	2.5
139.07663	29.2
146.60638	2.1
147.04556	2.4
147.08110	2.4
148.05280	4.1
149.06052	3.7
151.07654	62.3
152.04724	8.5
152.08441	28.6
153.09169	9.4
159.11693	2.5
161.09669	3.1
163.07608	6.6
165.05507	2.4
167.07127	4.7
173.08105	2.8
178.09932	7.7
185.09651	2.4
192.99486	2.4
201.12875	12.6
203.10722	10.6
204.09851	2.2
204.11572	28.9
215.10760	3.8
219.11917	4.5
219.13904	45.3
220.14055	3.1
263.12903	50.7
267.09924	10.1
268.10229	3.2
279.14084	2.6
285.11096	32.9
297.15024	2.6
327.21573	7.0
348.41422	2.8
355.11774	5.7
379.27374	2.5
387.14124	4.1
387.23657	7.6
407.22070	3.1
451.21188	6.9
469.22546	2.9
473.39069	2.7
477.20978	2.6
483.41647	2.6
496.27005	2.7
503.23187	3.5
505.24777	2.3
513.21179	3.6
549.24213	100.0
550.24567	8.5
567.00623	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.0
57.03449	2.9
58.00599	2.7
59.01381	74.8
60.01714	1.3
69.03455	1.0
69.42837	6.6
69.56190	1.1
71.01387	75.5
72.99326	2.3
73.02949	14.9
75.00861	1.1
83.01397	9.0
85.02959	24.9
86.00105	2.3
87.00880	14.5
89.02451	71.6
93.03479	1.0
95.01389	5.5
97.02925	1.4
98.21853	1.5
99.00891	5.7
101.02453	59.2
111.00871	1.0
113.02460	38.0
114.02893	0.9
119.03510	33.0
119.05037	3.4
120.10041	1.1
125.02457	2.8
129.02013	1.1
131.03506	21.1
143.03517	9.0
149.04541	4.3
159.03015	3.9
161.04564	37.6
163.04018	3.4
173.04562	1.2
179.05624	100.0
180.05865	1.4
191.05620	5.3
221.06673	84.2
222.07057	2.3
241.05089	1.8
256.07373	1.3
263.04865	2.6
263.07712	54.0
264.07947	1.6
271.09802	2.2
284.10516	1.3
323.09784	1.6
425.19504	1.1
549.15985	5.6
549.25409	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86251	2.5
59.01381	95.2
69.28245	18.5
71.01385	66.7
72.99305	4.5
73.02962	8.7
74.99096	9.0
83.01389	5.6
85.02965	18.3
87.00890	5.0
89.02451	98.3
95.01378	3.5
98.21725	3.2
99.00877	6.5
101.02439	45.2
113.02453	25.0
116.92888	4.3
119.03511	26.2
125.02454	4.2
131.03514	80.5
136.99202	5.8
143.03537	9.8
149.04570	81.1
161.04565	14.7
168.04559	3.7
179.05635	25.5
181.12442	3.4
191.05624	52.5
195.10297	4.7
211.03978	3.8
221.06670	6.5
225.11360	6.9
227.03522	41.6
229.05127	3.9
244.74115	2.8
251.07712	6.9
255.03012	63.4
255.16060	11.4
255.23926	2.8
256.03549	6.5
257.04593	4.7
284.03262	100.0
285.04059	57.1
286.04288	4.3
311.09766	6.7
312.48581	2.8
371.20810	11.1
372.31656	2.8
375.23770	13.3
387.14542	2.8
417.24963	5.5
503.24774	20.1
504.25467	3.2
507.28412	7.0
549.12561	87.5
549.20966	4.8
549.29681	13.0
550.12903	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00266	2.1
68.23923	2.0
71.10350	2.3
71.30877	2.9
81.76419	2.2
94.51915	2.8
103.10796	2.6
122.94007	2.5
160.84227	59.3
161.84230	3.1
162.83931	100.0
176.34583	2.3
196.64330	2.6
218.08577	2.2
334.63892	2.6
348.96982	2.4
549.26410	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	19.3
61.98836	100.0
69.65949	54.8
80.15821	9.7
94.19085	12.2
95.64178	9.9
112.15367	12.6
145.09134	12.5
169.34796	9.5
183.60179	9.4
235.32249	10.3
280.60022	10.3
304.37677	12.3
405.79813	11.0
457.25772	11.3
522.89777	11.5
547.36200	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47988	3.5
57.03448	5.1
59.01389	84.9
61.98824	11.3
63.89052	3.5
71.01390	94.3
72.99290	8.2
73.02953	17.5
75.40115	3.7
83.01370	10.4
85.02966	26.2
87.00868	9.3
89.02455	100.0
90.89722	3.4
93.03490	4.5
95.01405	6.2
97.02966	10.4
99.00884	15.2
101.02454	63.8
113.02467	30.9
119.03471	22.1
125.02444	16.6
129.01967	4.6
131.03525	54.3
139.07732	4.4
143.03506	15.9
149.04581	44.1
161.04591	19.6
179.05617	13.8
191.05621	30.1
205.03986	4.0
227.03441	6.0
233.06660	7.4
255.02945	11.8
284.03275	15.6
285.03934	4.2
339.37943	5.1
417.24915	60.9
418.25485	4.1
444.85602	3.8
549.12592	11.3
549.23560	11.5
549.30029	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	9.0
59.01376	29.5
61.98825	55.3
69.10464	69.2
71.01398	10.3
85.02961	11.9
86.06474	6.5
87.00882	93.9
91.27724	6.7
97.03008	9.4
97.06582	11.7
99.04552	8.2
102.30230	7.6
118.36333	6.2
118.42287	6.3
139.07664	11.8
227.03575	11.3
284.03128	12.3
340.18347	9.9
511.23404	13.5
513.28302	23.6
549.26300	30.8
549.34918	100.0
550.35016	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85289	1.2
55.01873	1.1
57.03456	7.5
58.00584	1.6
59.01370	2.1
61.98813	1.2
63.82098	1.1
65.40562	1.0
69.03466	1.6
70.63147	2.4
73.02950	12.6
83.05031	3.2
84.90564	1.0
85.02943	4.7
87.04519	87.0
94.04256	1.5
95.05042	2.0
97.02972	2.9
97.06588	1.2
99.04520	1.7
107.05030	2.2
109.05920	1.8
109.06603	22.7
111.08140	1.3
113.02429	2.2
121.02985	1.3
121.06599	16.8
122.03728	3.2
123.08208	1.4
125.06075	5.4
131.03510	12.3
131.08656	1.2
133.06624	1.3
135.04538	49.2
136.05255	3.5
137.06094	30.1
139.07671	4.6
149.06096	2.2
151.07663	6.2
159.08199	6.8
161.06168	1.4
161.09721	1.6
163.11310	2.5
165.05588	4.2
167.07173	5.9
177.05501	1.0
177.09213	1.1
178.11232	1.1
179.10806	8.4
189.09198	1.5
192.18781	1.4
213.09340	3.3
213.12871	1.2
225.11256	1.2
227.10794	6.6
229.12404	4.3
239.10733	1.2
241.12306	3.0
245.11877	5.5
253.40430	1.1
255.10130	1.1
257.11752	5.2
259.13327	2.2
269.11856	6.5
273.11325	5.0
275.13031	2.1
279.13919	1.2
283.85498	1.1
287.12903	11.9
297.15097	3.0
299.16733	1.4
305.14044	3.8
365.17572	2.8
367.18997	2.1
385.20474	1.4
397.20782	1.6
407.18619	3.3
417.22849	13.1
425.19586	5.1
429.22678	1.5
439.21481	1.2
443.20654	7.7
447.23660	1.9
448.87857	1.1
451.19904	2.1
457.22302	6.2
475.23407	27.7
476.23645	3.3
499.23660	7.7
505.28375	3.3
513.24884	1.8
517.24390	34.2
518.24658	3.6
531.25964	24.2
532.26465	2.9
549.27124	100.0
550.27551	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92650	3.6
56.12693	3.5
59.01382	9.9
61.98845	4.0
85.02957	12.8
85.22079	4.1
92.97362	3.7
94.80045	3.4
102.95449	3.7
106.46438	4.0
109.06593	33.4
121.06622	24.5
122.03768	4.6
123.04566	6.1
123.08115	4.0
125.02463	6.6
125.06053	6.3
134.03740	3.7
135.04509	10.8
136.01665	12.2
136.05319	12.7
137.06079	20.7
139.07674	15.2
146.00894	3.6
149.06107	4.3
149.09706	16.0
151.03983	18.2
161.09721	6.6
163.11275	4.3
166.16449	3.8
177.09181	5.3
179.10815	8.0
185.54924	4.0
187.07704	5.9
193.08676	4.2
229.12367	18.6
229.65967	4.5
247.13235	4.3
275.12753	6.1
299.16647	27.2
387.18332	6.5
393.24506	6.6
419.22223	4.9
437.23438	10.4
459.27441	6.5
469.25629	18.6
487.27136	78.5
488.27347	10.0
505.28122	41.8
549.27020	100.0
550.27472	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50026	22.1
56.05677	26.5
59.01366	33.8
61.98817	51.2
69.00964	37.0
69.75872	100.0
72.59160	22.1
73.08796	24.2
78.95922	25.5
79.72627	24.8
98.22443	26.2
164.17758	25.9
277.21710	44.0
340.62814	26.5
370.45096	26.2
462.42450	30.3
540.57458	29.1
550.31390	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03450	14.5
57.17822	0.9
57.41765	0.8
59.01087	1.6
59.01384	25.9
60.20391	0.9
61.98822	3.1
62.95288	0.9
69.00455	4.9
69.00883	5.8
69.03451	3.6
71.01385	14.2
73.02940	4.2
79.01878	1.0
81.03452	1.2
83.01399	1.2
85.02950	4.6
87.00863	3.5
87.04520	1.6
87.11194	1.0
89.02449	13.7
93.03482	1.1
95.01393	2.2
95.05038	1.0
96.96007	1.0
97.02938	2.4
97.06593	1.9
98.22545	1.8
99.04533	5.2
101.02453	11.6
107.01388	3.3
108.02164	4.1
109.02943	5.7
113.02443	4.4
115.92062	2.1
119.03478	2.7
121.02988	1.3
123.00882	1.2
123.08245	2.3
125.02468	8.1
131.03494	2.6
137.02458	2.9
139.11269	4.0
141.09093	1.2
143.03511	1.6
149.04541	2.6
151.00368	3.6
151.03966	1.1
153.01952	8.4
155.57440	1.1
157.12372	1.5
161.02481	1.0
161.04581	2.1
179.05632	1.3
185.10446	1.3
185.11867	14.8
191.05710	1.9
192.78972	1.1
197.06096	3.5
213.05606	1.2
214.12173	1.8
215.12891	1.0
227.03506	3.8
242.05856	4.2
243.06624	11.1
255.03036	7.1
279.05115	2.6
284.03302	7.6
285.04123	1.6
289.17984	1.4
291.19650	4.2
297.06131	8.1
309.20651	4.7
325.23868	12.8
327.21786	69.4
328.22089	5.2
339.07162	2.0
343.24866	2.3
351.21918	1.9
369.22699	1.3
371.20688	1.2
387.23834	100.0
388.24069	7.4
405.11789	4.9
417.24915	3.1
429.24982	4.2
447.13004	3.1
482.97278	1.3
503.31812	1.6
521.33258	5.3
549.12286	5.7
549.29797	29.2
550.30066	2.3
561.17316	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.6
69.00188	2.1
71.01374	0.9
72.99295	0.3
78.95906	3.6
79.95747	3.0
84.95140	0.6
85.00474	0.3
85.02959	0.3
89.02440	0.4
96.96019	100.0
96.96913	6.2
101.02455	0.4
103.25088	0.3
115.92036	0.2
125.02465	0.3
150.21698	0.2
154.66461	0.2
161.04605	0.5
176.78893	0.2
278.62308	0.3
284.93387	0.3
326.44196	0.3
374.22745	0.3
410.71582	0.2
549.29272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.0
68.99887	3.6
69.00291	14.8
78.95913	2.9
79.35510	1.5
89.67059	1.6
97.46378	1.5
98.21738	3.3
105.03468	7.7
107.65338	1.7
116.92869	10.5
132.02194	1.9
133.02971	44.4
134.03764	8.1
135.04498	5.1
137.02501	2.6
148.05272	2.4
160.01669	26.1
161.02443	21.3
161.06139	2.3
175.04016	75.8
175.55757	1.6
177.01883	2.3
178.02719	3.3
179.03442	3.1
180.75438	1.7
182.54405	1.8
193.05042	6.1
247.09926	1.8
299.25995	8.9
299.56537	2.2
303.15845	2.5
373.23914	6.1
389.30826	2.7
401.27008	2.2
443.28024	9.0
457.29544	19.8
475.30704	37.3
476.31158	4.5
534.32056	4.3
549.34338	100.0
550.34998	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50111	0.5
59.01382	8.1
61.98843	5.6
69.06710	5.0
71.01383	6.3
72.99287	1.5
73.02941	2.0
75.00864	1.2
82.33471	0.6
85.02948	1.5
87.00894	0.9
89.02446	11.0
93.03463	74.5
94.03803	1.3
97.02982	0.8
99.00880	0.8
101.02463	5.1
113.02438	1.9
117.57558	0.5
119.03552	0.9
125.02459	1.7
131.03503	6.7
149.04565	3.5
161.04570	0.5
165.05743	0.6
166.02678	0.6
169.06592	15.6
170.06868	0.7
179.05649	0.5
191.05605	5.8
206.63644	0.5
208.63007	0.6
213.05585	100.0
214.05934	4.6
227.07195	0.8
227.09254	1.0
243.15977	0.6
256.03357	0.8
285.03699	1.4
316.70798	0.8
329.23203	0.6
379.03549	0.7
387.23599	1.1
388.24091	0.7
389.16260	0.8
532.22729	2.5
549.31677	3.6
550.13281	1.0
550.23309	1.1
550.31812	6.2
551.32336	3.3
563.25500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	7.0
61.98835	10.9
65.62945	4.1
69.01286	39.2
81.35993	4.3
81.61590	4.0
101.57864	3.9
119.36086	3.8
137.09734	10.3
139.07675	3.8
151.07652	10.5
177.67668	4.2
197.09711	4.2
253.93304	4.1
463.24799	14.2
489.23477	4.2
507.23834	100.0
508.24078	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	3.2
61.98818	4.3
63.73055	1.6
70.77761	1.5
73.02937	1.7
89.02464	2.1
117.33048	1.7
128.18005	1.8
139.14499	1.8
150.16266	1.7
152.99580	2.8
154.28531	1.6
172.38026	1.6
177.58011	1.5
211.11275	37.3
212.11656	2.6
247.11015	2.0
262.58755	1.7
359.23584	1.8
379.18622	2.0
383.23691	14.5
385.21637	2.0
401.24686	4.8
403.23050	2.3
427.22775	11.9
445.23886	5.4
463.25192	2.7
471.21756	2.1
489.22812	67.4
490.23303	6.5
507.23892	100.0
508.24222	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.00880	5.0
71.04765	0.8
73.06663	0.8
74.18588	0.9
98.21767	1.3
193.58755	0.8
220.85173	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29929	39.7
61.98824	90.0
63.78426	41.6
70.96398	100.0
106.34798	40.7
253.59152	49.1
267.22281	38.6
441.16116	45.2
502.82419	45.3
550.25861	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43225	1.0
55.01900	1.6
57.03451	3.5
59.01384	23.5
61.98825	3.6
65.00333	4.5
69.02762	12.6
71.01388	32.3
72.99322	1.9
73.02947	10.4
83.01389	7.4
85.02956	14.5
87.00912	2.3
89.02464	13.7
95.01412	3.4
98.22549	2.2
99.00901	4.3
101.02444	25.9
102.02848	1.8
107.01385	5.8
109.03010	1.8
113.02464	13.9
116.92933	1.1
117.03468	2.6
119.03523	3.4
124.01665	4.5
125.02450	5.5
131.03514	23.3
131.05025	1.4
135.04553	2.6
139.00401	0.9
143.03487	2.1
144.01782	1.1
149.02518	2.0
149.04585	7.4
150.04918	1.7
151.00389	19.5
152.01161	17.0
155.05153	0.9
159.03036	3.0
159.04437	1.3
161.04561	11.8
167.03534	3.5
178.99869	14.1
179.05598	1.5
183.04636	1.1
191.05688	5.8
197.11983	1.4
225.05656	3.6
259.06079	6.6
269.04565	100.0
287.05634	2.1
345.13388	2.5
375.23889	74.2
376.24228	5.3
418.25238	1.7
419.23041	7.8
505.20758	1.4
507.28122	32.0
508.28635	1.9
550.28992	2.2
551.06232	2.2
551.14099	25.5
551.22070	2.2
551.30316	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58202	2.2
51.68904	2.5
52.09907	2.6
58.00613	3.0
59.01384	30.2
69.06665	26.0
71.01389	36.1
73.02954	12.2
83.01385	10.1
85.02967	19.8
87.00887	2.6
89.02442	11.8
97.18390	2.8
99.00880	6.2
101.02457	42.3
108.22570	2.2
113.02449	15.8
119.03483	2.9
120.82494	2.4
125.02431	2.5
131.03511	55.3
131.04465	3.8
143.03433	2.7
143.70294	2.5
149.04568	3.4
159.03001	3.5
161.04550	20.0
162.04726	2.4
177.05556	3.9
178.02719	3.5
184.55769	2.7
193.05022	7.1
301.03003	3.0
359.14786	8.1
373.22281	11.3
375.23904	100.0
376.24069	7.1
419.22452	3.1
487.40317	2.5
491.19348	3.2
505.26547	8.6
507.28195	29.2
537.25482	2.4
550.29260	2.6
551.30383	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
68.57941	2.4
69.10841	19.9
206.96886	2.7
230.32332	2.7
277.09784	2.9
365.32089	3.4
487.34439	4.0
550.23224	3.4
551.24719	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	100.0
68.99342	17.4
68.99767	17.5
98.22615	6.7
116.92770	3.8
145.91766	3.9
162.54134	3.6
409.28671	4.1
410.03845	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12533	4.8
61.98833	100.0
69.07432	24.0
69.07853	23.9
86.14406	5.2
98.22691	5.6
109.00066	4.7
110.08680	5.2
196.36317	5.2
219.59924	4.7
237.54976	5.2
255.23549	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.8
57.56224	0.4
59.01385	5.0
63.02387	1.8
65.00330	4.2
71.01034	0.6
71.01386	7.0
73.02928	1.3
83.01387	2.9
85.02966	3.2
87.00898	0.8
89.02456	3.7
95.01379	0.7
99.00893	0.6
101.02454	3.0
105.75797	0.4
107.01401	6.7
111.00874	0.7
111.19065	0.5
113.02452	1.8
116.92854	2.2
117.03449	3.3
119.03519	1.0
123.00861	0.5
124.01685	3.9
125.02475	3.5
131.03511	4.3
133.02992	0.5
135.04541	3.4
139.00397	0.5
149.02440	0.7
149.04510	1.1
151.00375	18.2
152.01167	16.6
159.04462	0.6
161.04602	0.9
165.01839	0.6
167.03535	0.9
169.01326	0.5
169.06557	0.8
173.06108	0.8
175.45351	0.4
178.99873	12.3
179.01486	0.6
181.06563	0.6
183.04512	0.5
191.05611	2.7
196.05241	0.6
197.06027	1.3
199.03902	0.5
201.05576	0.8
224.04753	0.5
225.05629	3.4
227.03516	0.6
241.05148	0.6
242.05966	0.5
259.06140	5.3
269.04559	100.0
270.04898	5.1
286.04739	1.3
287.05426	2.2
345.13330	1.1
371.15005	1.1
375.23853	1.6
376.24255	1.8
507.28006	0.6
508.28619	0.8
523.14844	0.7
537.61798	0.5
551.14099	28.2
551.30353	2.1
552.14471	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.5
59.01381	4.4
71.01376	2.8
71.27486	0.5
72.99317	1.0
73.02942	0.9
83.01369	1.0
85.02969	2.0
87.00877	4.7
89.02460	2.0
92.55063	0.5
95.01420	0.5
97.02987	1.3
101.02467	3.1
103.04020	2.1
108.96072	0.5
109.02978	1.8
109.39032	0.5
113.02464	0.8
114.94413	0.5
119.03510	1.6
123.04533	2.2
125.02465	8.3
133.02962	0.8
134.03766	1.9
135.04526	0.8
137.02489	1.5
138.98613	1.4
139.04008	0.6
139.99394	100.0
140.99698	1.5
143.03516	0.6
147.04616	0.6
149.02472	1.6
149.06055	0.8
150.03212	1.4
151.04005	2.3
155.01743	95.1
156.02049	2.1
159.04578	0.8
161.02455	3.6
161.06129	0.7
162.03259	2.4
163.00467	0.7
163.06190	1.5
165.01898	1.0
165.05551	1.2
175.04063	1.3
177.01909	1.3
177.05550	0.6
178.02722	1.3
181.08746	0.6
191.05630	0.5
193.05038	3.1
195.06619	0.9
201.05528	0.7
217.04984	0.6
219.06606	2.4
225.02246	1.0
243.03003	1.6
247.08475	0.6
257.04507	0.6
261.04034	0.8
263.05673	1.6
269.08130	1.0
289.07120	3.2
297.11328	0.7
307.10321	3.0
311.09299	0.9
351.13043	1.9
389.12308	1.2
395.12103	4.9
399.07272	6.6
400.07431	0.7
402.21515	0.5
407.07721	1.5
435.26993	0.6
463.06558	0.5
551.14227	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00608	4.8
59.01379	2.7
60.35352	0.5
61.98838	1.3
65.94067	0.5
67.06960	0.5
71.01406	2.6
85.02972	0.6
87.00893	0.8
88.98817	1.2
89.02441	2.3
98.22552	1.3
101.02461	1.5
105.03445	0.6
108.02190	1.1
109.02944	2.9
113.02471	0.8
117.03473	2.5
119.03502	0.9
119.05019	1.2
120.02135	0.9
121.02958	2.9
122.03755	2.6
123.04584	2.7
123.50043	0.6
124.01656	0.7
125.02424	0.8
133.02930	1.9
134.03758	11.5
135.04509	1.1
136.01677	2.0
137.02425	2.7
137.06096	1.3
139.04019	1.2
145.02954	11.9
146.03760	3.4
147.04539	3.3
148.01671	5.7
149.02441	2.8
149.06105	4.5
150.03262	3.7
151.04030	2.3
153.05579	5.9
154.02742	0.6
161.02460	13.2
162.03249	14.9
163.04021	19.1
164.04706	1.7
165.01929	0.8
165.05559	2.8
166.02768	1.1
177.01897	0.6
177.05600	5.5
178.02737	9.7
179.03442	2.5
179.05643	0.7
180.04329	5.4
181.05061	3.4
185.27155	0.6
193.05078	37.0
194.05766	3.3
195.06642	100.0
196.07036	3.4
209.04605	1.8
211.06207	1.8
248.11949	0.6
353.10349	1.6
371.11703	0.9
389.12427	12.3
389.17407	0.6
390.12878	1.2
407.07919	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13403	0.7
59.01375	2.6
61.98832	4.5
68.99866	4.4
69.00301	4.1
71.01379	2.8
73.02958	1.1
85.02962	1.2
85.29800	0.8
89.02444	1.9
93.03452	1.2
94.10764	0.7
98.21732	1.5
101.02447	2.5
107.05000	0.8
108.35889	0.9
113.02476	2.1
119.03494	1.0
119.05002	1.1
121.02966	10.9
122.03765	3.1
124.01673	1.1
131.03560	1.0
133.03001	2.4
134.03754	48.6
135.04489	2.8
137.02455	6.6
139.04015	2.4
149.02443	15.1
149.06087	12.2
150.03242	33.7
151.03931	1.1
158.54355	0.8
164.04802	2.8
165.05582	38.2
166.05901	1.0
178.02730	27.2
179.03110	1.2
179.05434	0.7
180.04294	3.5
193.05072	100.0
194.05444	2.6
195.06633	27.3
196.06900	1.1
199.45514	0.8
207.06369	0.9
221.06245	1.0
239.07114	2.4
250.06390	2.2
254.09567	0.9
267.06662	1.9
282.09076	8.0
303.06070	0.8
326.43311	0.9
341.10297	33.9
342.10614	2.7
389.12402	21.9
390.12692	0.9
507.31775	7.1
551.26855	1.0
575.69562	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.3
58.00597	7.4
59.01382	49.3
69.25074	7.8
71.01386	32.2
72.99316	2.1
73.02954	2.7
75.00884	1.4
84.77746	1.3
85.02959	7.2
86.98232	1.4
87.00875	2.7
89.02454	40.6
95.01431	2.7
101.02451	18.8
108.02190	5.0
109.02969	7.5
113.02468	11.9
117.03517	1.4
118.06073	1.3
119.03502	17.0
120.83351	1.1
121.02942	3.4
122.03746	5.6
123.04556	7.1
131.03477	1.4
133.02977	1.3
134.03754	2.5
135.04462	1.2
136.01694	8.0
137.06125	2.0
143.03557	1.5
145.02966	6.3
146.03752	2.6
147.04532	2.9
147.95058	1.3
148.01682	8.7
149.02441	6.1
150.03250	9.2
151.04002	5.1
153.05586	10.9
159.04543	1.9
161.02451	8.6
161.04594	2.6
162.03293	7.9
163.04010	26.6
164.04756	4.8
165.05576	5.4
174.03185	2.3
175.03944	1.7
177.01871	1.6
177.05605	3.5
178.02760	11.1
179.05632	3.3
179.07121	2.1
180.04327	8.2
181.05014	2.9
193.05055	21.8
195.06639	51.3
196.06996	2.4
209.04419	2.1
211.06064	1.7
219.86200	1.4
220.05374	1.4
225.05569	4.8
228.07666	1.2
235.04146	1.5
237.05556	3.7
238.06271	2.4
239.07272	2.4
249.05479	2.0
250.06491	1.8
251.07243	2.3
252.89084	1.4
253.05090	17.9
254.05621	1.5
255.74400	1.3
265.05118	8.9
266.05890	5.5
267.06705	12.6
268.07425	19.3
269.08087	6.3
277.05161	2.0
279.06543	3.3
280.07452	3.6
281.04611	3.3
281.08252	8.2
282.05374	4.2
282.08969	12.0
283.06146	2.9
283.09692	4.1
284.06830	2.2
293.04593	4.6
295.06229	4.3
296.06906	13.8
297.07587	3.4
297.11322	10.5
298.08350	2.8
299.09222	2.0
308.06854	5.2
309.07535	2.3
310.08438	2.2
311.05664	4.6
311.09283	16.0
312.09921	3.5
313.10590	1.5
323.09229	5.8
325.07230	5.2
326.07855	10.2
327.08444	1.2
327.12454	2.9
329.10266	4.0
340.09540	11.4
341.10300	49.2
342.10718	3.8
353.10333	3.1
356.09152	7.4
371.11386	100.0
372.11707	5.6
389.12277	10.4
389.15970	1.4
442.01416	1.3
551.20129	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1775
Annotation	Dichotomoside A
Peak:m/z	Relative Intensity
57.03453	1.9
58.00586	6.3
59.01384	45.6
68.99809	1.6
69.34940	6.6
69.35344	3.9
71.01389	25.2
73.02924	3.1
81.54527	1.6
84.45520	1.6
85.02944	8.5
86.61322	1.7
87.00867	3.3
89.02449	31.4
91.01855	2.1
93.03448	1.7
95.01366	2.4
98.22537	1.6
101.02450	17.0
108.02187	9.5
109.02991	8.5
109.06598	9.4
113.02455	9.1
119.03505	10.7
121.02967	4.4
122.03735	6.1
123.04552	20.8
124.01718	2.3
131.03532	2.1
133.02974	2.0
134.03719	3.0
136.01689	21.6
137.02454	2.8
137.06099	2.7
145.02966	9.8
146.03667	2.1
147.04475	3.1
148.01669	6.3
149.02441	7.4
149.06078	2.2
150.03255	11.3
151.04005	23.7
151.82140	1.6
153.05603	9.0
161.02470	7.5
161.04552	3.0
162.03288	10.5
162.58563	1.4
163.04007	15.5
163.11284	1.8
164.04823	17.4
165.05611	7.8
166.02768	1.9
174.03261	2.5
175.04118	2.0
177.01877	2.9
177.05621	4.6
178.02739	28.1
179.03470	2.4
179.05713	2.0
179.07132	6.2
180.04301	10.3
181.05045	4.8
183.10255	2.6
187.03886	2.3
189.60231	1.6
193.05089	36.7
194.05650	2.8
195.06630	97.6
196.07005	3.5
203.03537	3.7
204.04344	12.2
207.10240	2.7
209.04497	4.0
211.06152	1.9
217.05122	3.2
219.06566	9.7
225.05669	1.6
250.06520	2.1
253.05057	9.2
265.05072	4.5
266.05807	3.4
267.06528	7.9
268.07431	9.4
269.19278	1.7
279.06604	1.8
281.04553	2.1
281.08218	3.1
282.09009	5.7
295.06143	2.8
296.06909	9.4
297.07944	1.9
297.11404	4.7
310.08362	2.5
311.09314	9.1
314.07767	2.2
323.09256	4.6
325.07181	3.1
326.07959	6.1
329.10403	5.1
340.09509	7.4
341.06598	2.1
341.10339	19.0
353.10550	2.0
356.09137	2.9
371.06705	3.2
371.11377	57.1
372.11969	4.7
389.12445	100.0
390.12747	6.7
493.20767	4.5
495.98410	1.6
505.20999	2.1
507.25851	6.3
551.24573	16.3
551.31873	2.4
564.24573	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1781
Annotation	Tenuiphenone A
Peak:m/z	Relative Intensity
52.08001	0.3
59.01378	3.3
60.31660	0.4
61.98820	0.8
65.00334	0.6
67.50575	0.3
69.03452	0.4
69.22015	2.3
71.01396	3.0
72.99304	1.7
73.02947	1.0
75.00893	0.4
80.02659	0.4
81.03480	0.3
83.01411	0.4
85.02950	1.5
87.00890	0.9
88.98816	0.8
89.02450	3.8
91.01900	11.3
91.02460	0.7
95.01376	0.8
97.02967	2.3
98.21996	1.3
99.00912	0.5
99.04536	0.4
101.02439	1.9
107.05074	0.4
108.02185	15.8
109.02995	3.4
109.06605	0.5
111.04507	0.4
113.02438	0.7
119.03442	0.4
121.02954	1.0
123.00902	4.5
124.01677	0.8
135.00900	12.3
137.02470	2.6
137.06053	0.8
139.07637	0.5
152.01161	15.1
153.01711	0.4
161.04628	0.4
167.69408	0.3
178.28665	0.4
179.10719	0.4
191.05835	0.4
192.15886	0.3
197.06117	1.4
211.23552	0.4
213.05559	0.9
215.07080	1.0
243.06625	100.0
244.06982	4.6
257.04614	1.6
258.05322	1.5
270.04156	0.3
272.06967	3.4
273.07776	1.8
287.09247	3.9
315.12445	0.9
374.17474	0.7
389.15854	0.3
389.19861	3.0
399.25735	0.5
413.19821	0.4
417.26453	1.0
507.26279	0.7
533.26416	1.3
551.17590	3.8
551.25012	16.6
551.32349	4.9
552.18268	0.5
552.25574	1.7
552.33087	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08564	5.7
58.61171	6.5
59.01389	52.6
61.23210	5.3
69.11548	49.1
71.01385	39.1
85.02950	7.8
89.02460	68.9
91.01064	6.7
109.06591	13.6
113.02425	5.9
114.93398	7.7
123.04548	11.4
125.02422	7.5
131.03470	9.0
143.10765	18.0
149.04597	21.1
167.03452	17.2
185.11826	11.9
207.10303	6.5
215.12891	10.0
243.06558	8.3
273.07718	24.5
283.09741	20.7
289.06882	6.2
311.09259	67.8
326.11603	44.3
331.11963	8.6
340.35294	6.5
341.10056	10.7
341.13953	100.0
374.13562	14.7
388.59763	6.2
389.16028	25.6
428.65274	8.1
513.79572	6.3
551.24274	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11952	1.1
52.52705	1.1
55.01879	3.3
57.03445	2.4
58.00600	2.3
59.01384	43.1
66.23568	1.1
68.99811	2.9
69.49549	4.9
71.01389	26.4
72.99310	3.4
73.02937	4.6
75.00862	1.3
83.01384	6.3
85.02951	10.6
86.00105	2.1
87.00872	4.3
89.02448	17.0
95.01388	2.0
98.74287	1.2
99.00890	4.3
101.02447	20.5
108.02187	24.1
109.02941	7.3
113.02463	10.9
113.69888	1.1
115.04026	3.0
119.03507	10.8
121.02982	2.1
123.04543	19.2
125.02467	2.3
134.03757	1.4
137.02451	1.3
143.03514	2.8
147.04575	1.5
148.01698	1.2
148.04051	3.0
150.03262	1.9
153.05542	1.3
159.04523	1.4
159.79002	1.1
161.04584	1.2
162.03230	1.9
163.03995	2.6
174.03275	2.1
175.04013	1.3
177.05609	3.8
178.02728	4.5
179.03516	2.9
183.10297	1.6
186.03246	1.2
187.04050	4.1
187.07257	1.2
188.04749	1.9
189.05536	1.5
192.04321	1.5
193.05020	6.0
195.06638	1.7
202.06398	5.5
203.07173	6.5
221.08215	2.5
228.51494	1.0
233.08212	15.6
235.06004	1.2
239.07501	1.1
247.09950	1.1
269.08371	2.0
279.06619	1.6
282.09058	1.4
283.06186	3.2
295.06158	1.3
295.10883	1.4
296.06726	1.7
297.07605	3.7
298.08624	1.8
299.09155	1.5
310.08444	2.8
311.09247	4.9
313.07288	2.6
313.10721	1.9
314.08047	5.3
325.07306	1.1
325.10892	4.3
327.12265	1.4
328.09494	10.3
329.10336	15.1
341.10291	8.9
343.11935	17.7
344.11954	1.1
356.12592	3.5
359.11395	8.0
371.10992	2.6
371.15244	6.0
374.13718	11.8
375.14639	6.2
389.12195	15.0
389.16144	41.5
390.12372	1.5
390.16751	3.2
412.96671	1.1
431.14102	1.7
475.16983	2.4
519.16479	8.9
536.19049	6.0
551.21344	100.0
552.21704	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74784	5.1
53.85300	4.7
58.00583	8.8
59.01384	54.8
60.35797	5.8
69.25394	9.7
69.25798	36.6
71.01395	44.6
72.99281	6.0
85.02955	13.6
87.05519	5.7
88.98798	14.5
89.02448	48.8
101.02458	22.7
109.02981	12.2
113.02469	12.2
119.03503	24.4
121.02987	8.6
123.04541	6.0
125.02470	6.2
136.01585	5.5
147.04568	6.9
148.01634	9.8
149.02399	10.2
150.03268	8.3
153.05562	12.3
161.02426	6.3
161.04619	5.6
162.03233	20.4
163.04039	30.0
175.03989	6.9
177.05562	22.0
178.02722	16.2
180.04398	7.9
190.06380	6.9
193.05083	40.0
195.06563	56.3
209.04549	7.4
225.05434	6.8
240.04451	6.8
253.05005	11.3
265.05191	7.4
267.06470	16.0
268.07404	20.5
282.08975	14.1
295.06110	6.4
296.06833	13.4
297.11304	8.9
308.06888	6.8
311.09250	19.1
323.09424	11.7
326.07916	8.8
340.09656	9.3
341.10303	45.5
344.11819	5.5
347.14874	13.9
359.15021	27.4
371.11420	100.0
372.11734	10.2
376.24313	7.3
389.12445	21.1
491.19260	17.9
551.24139	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53086	0.6
57.03448	0.7
58.19738	0.6
59.01373	3.7
61.98820	0.7
65.38030	0.8
69.11662	4.4
71.01375	2.2
71.01740	0.7
73.02955	1.4
73.33270	0.7
78.95883	0.8
79.80663	0.7
85.02975	1.0
85.06622	0.6
85.23550	0.6
86.05382	0.7
87.04515	0.7
89.02454	2.8
90.29848	0.8
97.02964	1.1
99.04507	0.8
101.02460	1.2
109.06618	1.9
113.02460	1.6
121.06561	0.7
137.02480	1.5
149.04539	0.8
153.12939	1.1
155.45146	0.7
156.10246	0.7
161.09819	0.7
177.09102	0.8
179.10706	0.9
191.05699	0.7
191.89374	0.6
205.01321	0.7
228.04457	0.7
245.04446	1.0
255.03003	1.0
256.03806	0.8
257.04590	0.9
259.02548	1.4
271.06271	0.6
273.04111	2.8
274.04874	2.6
275.12799	1.0
283.06256	1.2
287.05670	1.5
288.06470	1.5
289.07269	1.3
298.08429	1.5
299.09360	1.1
301.07297	3.1
303.12408	0.7
313.10754	3.3
314.10941	0.8
315.08911	1.0
316.09567	1.3
325.10956	0.9
326.07959	2.3
327.08771	11.7
328.09421	4.7
328.22189	1.3
329.06537	1.3
329.23383	5.6
331.11850	9.6
341.10339	4.8
342.11057	7.6
343.08276	1.1
343.11865	5.7
344.08923	0.8
356.12527	4.0
357.13440	11.1
358.13831	1.0
359.11401	11.1
360.11481	1.2
373.13187	0.8
374.13733	44.4
375.14044	2.2
388.24030	1.1
389.16089	100.0
389.25146	5.6
390.16415	6.9
493.20981	1.6
551.22192	14.2
551.31970	3.0
552.21600	1.6
571.44934	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2139
Annotation	Alangilignoside D
Peak:m/z	Relative Intensity
52.17496	0.3
54.42500	0.3
59.01431	0.8
65.44994	0.3
69.24518	2.1
69.24928	0.7
71.01431	0.5
78.99220	0.4
85.03037	0.4
89.02500	0.8
109.03033	0.7
109.06680	0.4
113.02619	0.4
137.02524	0.8
159.20093	0.3
193.99422	0.4
245.04683	0.5
255.03174	0.8
256.03903	0.6
257.04666	0.6
258.01761	0.6
259.02533	1.5
269.04739	0.5
271.06363	0.4
272.03531	0.4
273.03992	3.0
274.04834	2.1
275.13046	0.5
283.06259	1.1
284.07065	0.4
285.07425	0.5
287.05771	1.7
287.09012	0.5
288.06470	1.6
289.07245	1.5
298.08618	1.1
299.09317	0.8
301.07208	2.0
303.08945	0.4
303.12381	0.7
313.10812	3.8
316.09503	1.6
317.10364	0.9
317.13931	0.4
325.10965	0.6
326.07971	2.2
327.08719	7.6
328.09470	3.1
329.06482	0.6
329.23291	0.7
331.11902	7.8
341.10278	3.9
342.11118	4.9
343.08331	0.5
343.11795	2.5
344.08905	0.8
355.12247	0.4
356.12674	3.4
357.13391	6.7
359.11374	9.8
360.11725	0.6
373.12604	0.5
374.13733	34.9
375.14154	1.6
389.16077	100.0
390.16446	8.3
551.21185	13.2
551.31171	1.1
552.21796	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65308	3.0
59.01382	8.3
69.04684	22.1
71.01383	8.4
73.82989	3.0
85.29084	3.2
86.72006	3.1
88.98827	4.5
98.22590	4.3
99.69713	3.6
108.02181	34.9
109.02966	39.3
117.07125	8.9
123.04515	24.9
125.02507	3.6
145.11455	3.1
163.04013	4.1
175.04039	9.3
176.04756	7.5
192.79431	3.2
235.06110	35.3
249.07626	5.1
299.09543	4.3
300.10037	8.7
312.10229	5.0
314.26743	4.8
315.12372	36.5
327.12396	6.8
359.11395	100.0
360.11810	5.8
387.15955	4.3
389.16003	5.8
521.16333	11.0
551.21228	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.4
59.01099	2.0
59.01381	33.4
61.98817	4.0
69.03452	4.1
70.05685	6.5
70.51742	1.6
71.01390	14.0
71.05025	3.3
73.02937	5.8
75.71703	1.5
83.04996	1.8
85.02960	8.6
85.06593	2.5
86.38790	1.6
87.00882	3.0
87.04511	1.9
89.02448	36.5
89.02982	3.5
93.03448	5.5
94.00306	1.5
97.02962	10.5
98.03267	2.0
98.24592	1.6
99.04523	6.0
101.02441	5.1
107.05014	2.0
109.03951	1.7
109.06588	10.3
111.04582	3.2
111.08179	4.3
113.02494	3.8
116.30843	1.7
119.03495	3.7
121.06615	4.7
123.08134	2.6
125.02433	3.6
125.06118	2.2
129.05586	10.3
131.03552	2.7
135.04541	5.3
135.91983	1.8
137.02489	2.6
137.06064	7.4
139.07625	3.9
149.06090	2.0
151.07599	2.1
155.07188	2.4
161.04749	2.5
163.11319	10.6
164.04837	1.9
165.05498	2.4
177.09254	3.6
179.05592	3.5
181.12311	2.2
191.05705	2.2
205.08675	2.2
209.08133	2.0
213.05537	4.6
214.05853	3.1
224.24806	1.7
257.11777	4.4
295.50897	1.8
297.15027	2.9
303.12384	2.0
327.25586	3.9
329.23273	6.7
341.21362	2.1
355.15613	4.1
365.16156	2.1
373.16718	2.5
374.17407	3.2
389.15500	9.3
389.19867	7.8
389.25467	8.7
395.18790	2.1
413.19791	2.0
417.20383	1.9
417.26501	4.7
430.58252	1.7
435.21747	3.0
448.10977	2.1
453.23288	4.1
467.47598	1.7
471.23920	6.1
491.28775	4.0
493.20630	4.7
497.21823	3.8
507.25824	12.4
508.18799	2.4
508.25861	3.4
515.22729	6.0
519.16406	1.9
533.24152	2.8
551.24878	100.0
551.31989	49.9
552.24469	10.7
552.32123	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72177	0.8
55.01875	1.8
57.03440	2.0
59.01387	18.9
60.99322	1.0
61.98838	1.0
62.14264	0.9
63.50277	1.0
69.32147	3.7
69.32574	2.5
71.01392	13.0
72.99319	1.9
73.02940	2.7
75.00832	1.0
83.01379	2.1
85.02962	5.7
87.00872	2.8
87.04511	1.1
88.98807	2.6
89.02457	7.5
95.01397	1.4
98.22126	3.4
99.00877	2.5
101.02463	9.6
109.06629	1.5
113.02470	4.1
119.03513	1.9
128.84409	0.8
140.08563	0.8
142.14761	0.8
198.23007	0.8
243.02965	3.4
243.16472	0.9
257.04559	11.8
258.05243	6.2
272.06921	22.4
273.07684	15.5
282.64426	0.9
285.07718	3.1
287.09277	28.7
288.09546	2.5
300.10019	1.4
302.11755	0.9
315.12390	7.6
374.17578	5.0
374.21634	0.9
375.17908	2.3
389.19727	21.5
390.19986	1.1
417.26425	1.4
493.21149	1.1
494.05060	0.9
507.26080	2.1
551.24945	100.0
551.31451	4.7
552.25146	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.5
59.01383	90.5
59.44695	1.1
63.45599	1.1
90.35889	1.1
98.21759	2.5
112.66625	1.1
130.28716	1.1
197.09708	4.4
211.11308	1.2
213.12903	3.8
239.10802	1.6
361.25531	1.8
369.22324	1.2
385.25256	3.8
403.26303	4.8
414.22128	1.8
429.24219	2.5
447.25378	8.5
448.26364	1.7
473.23267	3.1
491.24414	100.0
492.24771	11.9
495.03067	1.5
549.78577	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2866
Annotation	Lokundjoside
Peak:m/z	Relative Intensity
55.01874	1.0
57.03456	6.1
59.01378	12.7
61.98836	1.7
63.88816	1.0
69.03455	8.1
69.91519	1.8
69.91882	3.5
71.01385	7.0
71.05009	2.1
72.99313	100.0
73.02949	34.8
77.31448	0.9
81.03443	1.7
83.05029	4.2
85.02959	6.0
87.04515	3.7
87.83823	0.9
89.02460	8.2
95.05032	1.6
97.02916	1.4
97.06620	1.6
98.22236	2.5
99.04521	4.1
101.02451	4.6
107.08645	1.4
109.06596	4.9
110.21616	1.1
111.04559	1.5
111.08147	4.2
113.02431	2.5
115.04018	1.6
115.68745	1.0
116.18954	1.1
121.06593	6.8
123.08160	3.0
125.02422	1.9
125.06091	1.5
125.09722	1.1
126.99583	9.5
127.04018	4.4
129.05574	4.6
131.03493	6.7
137.06071	3.1
137.09755	1.5
138.06406	1.2
139.07661	14.3
149.04568	2.9
149.09723	5.0
151.03230	1.2
151.07697	2.5
151.11337	6.4
151.12344	1.1
155.07231	1.2
157.08716	3.5
161.02425	1.0
161.09657	1.5
163.07584	1.8
163.11234	1.9
165.04762	1.3
165.12798	3.2
167.06329	13.8
167.10713	1.7
169.08737	2.1
172.42845	1.0
176.08330	1.6
179.10770	1.5
191.05634	4.4
191.10756	2.9
209.11819	3.6
211.05321	25.7
212.05608	1.2
214.05385	1.2
217.16000	1.4
223.13293	1.1
235.17059	1.5
245.15263	1.4
255.17464	1.1
273.18607	1.3
279.15964	3.2
379.26575	1.2
401.23193	2.5
411.25470	2.0
427.27121	1.1
429.26184	2.7
441.26642	2.5
453.26785	6.1
459.27798	6.0
471.27634	12.3
489.28412	7.3
493.20493	1.5
497.21829	2.0
505.15231	1.7
505.27975	1.8
508.35748	2.1
515.26526	8.0
533.27661	92.8
534.27924	8.0
551.29309	16.5
552.27863	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93777	31.7
53.43279	31.8
61.98853	64.3
62.27236	39.3
71.30779	62.9
72.69369	31.1
76.65580	35.7
78.95911	100.0
80.96529	52.5
125.15546	32.7
137.89500	35.2
152.99699	46.7
172.92160	39.1
179.89268	40.4
191.05624	69.7
251.88701	44.1
322.04807	37.9
327.07965	39.3
422.29022	38.7
430.18454	40.4
483.31598	55.4
516.15442	42.0
539.52820	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
61.83109	49.8
61.98844	52.5
65.95377	58.0
66.01231	61.4
72.99300	100.0
90.91210	52.0
121.22124	53.8
147.76840	55.1
229.28008	67.0
306.29831	61.4
328.18710	57.9
334.37878	60.9
453.19223	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38060	0.7
57.03441	2.5
59.01373	2.8
61.98826	2.8
69.55392	5.3
71.01392	10.0
71.05009	1.0
72.01736	0.9
81.31080	0.9
85.02924	1.3
87.00876	3.0
89.02455	26.1
93.04667	0.8
96.18388	0.9
98.22511	1.6
109.42487	0.8
111.22226	0.8
125.02498	0.9
151.03882	0.8
152.99561	1.4
159.16081	0.9
183.62712	0.8
270.81747	0.9
385.24005	4.0
417.26376	2.4
429.26770	1.0
443.28098	4.9
461.29153	12.9
505.32626	1.1
509.26160	3.9
533.31177	1.6
551.32324	100.0
552.32623	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.323
Annotation	Sanjoinine G1
Peak:m/z	Relative Intensity
50.38060	0.7
57.03441	2.5
59.01373	2.8
61.98826	2.8
69.55392	5.3
71.01392	10.0
71.05009	1.0
72.01736	0.9
81.31080	0.9
85.02924	1.3
87.00876	3.0
89.02455	26.1
93.04667	0.8
96.18388	0.9
98.22511	1.6
109.42487	0.8
111.22226	0.8
125.02498	0.9
151.03882	0.8
152.99561	1.4
159.16081	0.9
183.62712	0.8
270.81747	0.9
385.24005	4.0
417.26376	2.4
429.26770	1.0
443.28098	4.9
461.29153	12.9
505.32626	1.1
509.26160	3.9
533.31177	1.6
551.32324	100.0
552.32623	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48357	0.5
57.03438	0.8
59.01383	2.3
61.21667	0.5
61.98820	1.5
69.97487	1.8
71.01389	6.0
73.02953	1.1
83.04991	0.6
85.02953	0.9
87.00881	1.3
87.04517	2.5
89.02451	74.9
90.02802	0.6
96.59805	0.4
98.21919	0.7
101.02427	1.3
113.02440	0.7
119.03501	0.5
131.03473	0.6
135.04523	0.6
152.60114	0.6
170.86243	0.5
183.12372	0.5
206.42836	0.5
280.22534	0.6
305.81851	0.5
318.30511	0.5
327.25461	0.6
329.23059	2.3
389.16324	1.0
389.25580	3.0
399.25464	1.3
417.26486	9.6
418.26923	0.6
443.28000	1.2
460.89130	0.6
491.29352	0.8
533.31433	0.8
551.32288	100.0
552.32556	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3232
Annotation	Sanjoinine G1
Peak:m/z	Relative Intensity
57.03443	1.1
59.01377	1.9
61.98832	0.9
66.37348	0.4
69.05933	1.4
69.06348	2.1
71.01395	5.3
72.77774	0.4
72.99301	0.4
73.02934	0.9
85.02966	1.3
87.00888	2.2
87.04547	2.7
89.02454	56.2
90.02786	0.7
99.04533	0.9
101.02416	0.5
109.06586	1.0
121.06616	0.7
123.08187	0.5
135.04483	0.9
137.06085	0.5
139.07684	0.5
163.11317	0.5
189.09195	0.4
205.08798	0.6
280.98013	0.4
343.25015	0.5
389.15970	0.8
389.25439	1.7
399.25162	2.4
417.26483	11.5
418.26968	1.0
441.95975	0.4
443.28271	0.6
551.25153	6.2
551.32318	100.0
552.25140	0.9
552.32684	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73686	0.5
57.03445	1.3
59.01379	2.9
61.98826	1.8
67.46931	0.5
69.06552	2.0
69.06976	3.3
71.01390	8.1
71.04999	0.5
73.78594	0.5
79.97564	0.5
85.02966	1.6
87.00880	1.6
87.04519	2.3
88.98785	0.5
89.02457	39.0
90.02802	0.7
90.72755	0.6
101.02453	1.0
115.56987	0.5
121.06640	0.6
125.02457	1.4
135.04498	0.7
137.02457	0.9
149.02391	0.6
162.03204	0.9
212.08319	0.6
215.18175	0.6
243.06653	1.8
244.92081	0.5
343.83075	0.6
373.22330	0.7
389.15927	1.3
399.25406	8.8
400.25595	1.0
417.26495	23.7
418.27005	2.5
443.28320	2.1
533.31238	1.1
551.32306	100.0
552.32648	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3233
Annotation	Sanjoinine G1
Peak:m/z	Relative Intensity
53.37431	0.8
55.18132	0.8
57.03417	1.0
59.01386	4.7
61.98842	4.4
71.01385	8.3
71.24160	0.8
72.00441	0.8
73.02950	2.1
76.21327	1.0
78.95905	1.1
83.01382	0.9
85.02966	1.4
87.00876	3.9
87.04514	1.7
89.02454	54.5
93.03461	1.0
101.02444	2.6
108.02227	1.1
109.02937	2.0
122.28235	0.8
123.04525	1.9
125.02421	2.1
126.99580	3.2
137.02455	2.0
137.09686	0.9
149.04645	1.6
151.04034	1.1
163.04018	1.5
167.06380	2.6
211.05394	8.2
241.16313	1.0
359.22415	2.6
395.78244	0.9
417.26465	14.4
443.28119	1.3
461.29114	2.9
533.31281	1.7
535.30267	0.9
551.32318	100.0
552.32745	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
62.25172	3.3
68.81974	3.3
69.76511	11.8
85.68931	3.0
91.74380	3.0
96.36101	3.3
98.21912	4.3
123.19430	2.9
131.17484	3.1
177.25523	3.0
226.20970	3.4
429.20755	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81190	12.0
54.07480	10.3
59.01378	14.9
62.83075	9.9
64.86229	9.8
68.99601	100.0
70.62843	11.6
82.35197	10.1
83.29251	10.2
84.51030	11.3
92.60209	10.6
98.21815	25.5
113.32316	10.8
137.02406	12.2
137.06117	12.7
140.14529	11.3
255.10333	12.6
377.25244	15.0
385.21918	21.7
403.22845	21.5
421.23914	24.4
429.20685	27.2
447.21671	29.8
466.35513	10.7
491.20798	32.6
509.21603	19.7
538.66534	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81847	5.6
57.47467	5.5
59.01382	100.0
67.03284	5.9
69.04628	14.9
69.05031	46.3
77.99386	4.8
128.02737	5.2
155.68877	6.0
179.66907	5.7
509.25400	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.261
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93181	9.7
69.02072	100.0
78.43394	8.1
91.21519	9.1
193.05121	10.3
202.09991	13.3
243.31918	9.1
317.88531	9.0
429.85208	13.7
519.27478	9.4
549.77234	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	4.5
61.98812	4.8
69.03449	13.4
70.62948	6.3
70.63274	5.0
76.98494	3.5
80.52409	3.6
80.98576	3.6
86.68903	4.3
96.88427	3.3
97.02969	50.7
110.83810	3.5
126.03279	12.0
133.03001	7.7
134.03769	7.0
135.04552	5.9
148.08533	3.9
149.02438	6.8
150.03262	12.9
154.81946	3.6
165.05582	10.6
175.03993	4.4
179.03467	5.7
290.05676	3.8
342.11346	4.9
343.11996	4.4
357.13400	7.8
505.18634	30.4
509.25461	100.0
510.25735	11.7
552.26093	4.5
553.20679	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98829	38.8
69.35193	53.2
69.35607	16.6
83.04436	9.7
83.30046	8.7
84.96313	9.7
96.80910	9.0
98.21770	19.7
110.90421	11.5
139.07677	12.8
164.88011	8.8
212.40578	8.7
216.76256	9.8
297.83948	9.6
358.14285	10.6
371.47345	10.3
493.25946	15.8
509.25671	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.9
57.03441	9.1
59.01386	67.8
61.98839	23.2
69.03456	2.2
69.14513	5.7
69.14919	16.6
71.01386	76.9
72.99314	3.4
73.02963	22.6
83.01393	9.9
85.02961	37.0
85.42691	2.5
87.00873	4.6
89.02451	34.9
90.02722	2.5
92.73695	2.2
95.01364	6.1
97.02938	3.9
98.22503	5.3
99.00888	10.8
99.04579	2.2
101.02448	58.7
108.82835	2.2
113.02464	30.5
119.03503	8.1
125.02459	8.1
131.03506	22.1
143.03555	5.9
148.85002	3.0
159.03015	5.6
161.04581	55.2
169.33298	2.8
179.05608	13.4
197.73874	2.4
201.58707	2.7
205.03468	2.4
233.06693	2.9
277.16629	3.6
347.22208	3.1
361.12964	100.0
409.20731	7.4
430.70914	2.3
451.21567	3.5
493.17059	8.6
509.27570	5.8
552.33502	15.4
553.25391	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30473	2.5
59.01379	3.1
60.99323	19.1
71.01394	2.9
83.00664	2.4
83.94735	2.2
88.98814	100.0
96.03551	2.5
151.00414	8.8
178.99828	2.8
243.03009	7.4
255.02968	17.1
271.02518	32.1
271.66528	2.5
300.02759	71.5
300.05960	4.8
301.00345	4.4
301.03491	28.9
302.04004	3.1
391.13165	4.0
463.08893	98.0
464.09180	5.0
553.22083	3.5
553.31891	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62882	0.9
57.19051	1.1
58.00623	1.0
58.72129	1.0
59.01384	7.6
61.00987	1.3
61.98818	3.8
71.01381	4.3
71.29471	1.6
72.99294	1.2
73.02947	2.6
81.03478	1.1
83.05024	3.5
85.02939	1.8
85.18398	1.0
89.02444	3.9
93.03482	9.8
94.70246	1.0
99.00922	1.1
99.04537	1.5
101.02467	2.7
111.04527	14.0
113.02446	2.0
125.02462	1.3
128.73489	1.1
131.03516	2.2
134.03702	3.9
135.04532	17.5
137.02448	2.9
149.04547	2.1
155.03497	13.8
160.01595	1.6
161.02356	2.1
161.04556	1.3
173.04546	3.1
175.03931	5.2
179.03497	10.9
191.05679	6.2
193.05101	7.0
199.04134	9.9
217.05252	6.9
252.08951	1.3
259.06342	1.2
267.11386	5.3
285.12418	6.4
287.05820	6.5
295.07434	1.6
299.10388	1.5
311.10428	2.6
327.08838	1.6
329.11407	9.9
343.11819	2.1
345.10876	1.5
347.12445	4.4
355.10281	1.8
361.18781	1.2
372.09943	2.1
373.09512	51.6
374.09906	3.4
389.09857	4.6
389.14133	1.4
391.10504	20.0
391.14856	1.5
553.13757	100.0
554.14215	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31878	0.6
59.01383	3.1
61.98822	1.0
69.03429	1.5
69.38414	1.6
69.38822	3.3
71.01374	2.0
72.99306	1.0
73.02941	0.8
81.03467	0.8
83.05038	3.6
85.02938	1.3
89.02480	2.2
93.03464	9.2
99.04536	1.6
101.02440	1.0
109.02949	1.4
111.03764	0.7
111.04530	15.1
113.02438	1.3
118.96520	0.6
127.04079	0.6
131.03491	1.6
133.02934	0.9
134.03738	1.8
135.04541	17.1
137.02428	2.5
140.18806	0.7
143.03494	1.0
145.03233	0.6
149.04588	1.5
151.04042	0.8
155.03526	13.1
161.02489	1.3
173.04582	1.8
179.03503	8.4
191.05621	4.2
195.06493	0.8
199.04204	9.5
212.99629	0.7
217.05255	7.5
259.06378	1.5
287.05853	5.2
327.09210	1.0
340.09613	0.8
343.12228	1.0
355.08463	2.1
359.08685	0.8
361.07352	0.8
361.78683	0.7
372.09946	1.6
373.09494	51.4
374.09882	2.5
389.09921	1.5
390.10953	1.2
391.10516	21.6
392.10992	1.5
507.94876	0.6
553.13763	100.0
554.14136	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14241	1.3
59.01387	8.9
70.33717	2.6
71.01382	4.2
72.11831	1.3
73.23859	1.6
81.03439	1.8
83.01387	3.9
84.33521	1.3
85.02940	3.1
94.32682	1.4
95.01415	4.4
95.05049	1.6
97.02951	5.8
101.02442	2.0
107.05022	1.7
108.02181	2.0
109.02956	3.8
111.04520	2.0
113.02463	4.9
119.05037	8.6
119.31129	1.3
120.46700	1.5
121.02959	20.9
123.00916	3.3
123.04546	2.9
125.02450	9.8
136.05275	3.0
137.02448	5.2
137.06094	5.1
138.03108	1.5
138.04228	1.6
139.03995	10.5
141.03481	1.6
143.04994	1.7
145.02974	17.5
149.02470	5.4
150.03235	10.0
151.04016	4.8
157.06615	4.5
161.06046	2.7
163.03999	1.7
164.04808	2.8
165.01909	9.9
165.05568	18.8
167.03487	17.1
177.02048	1.4
181.05162	2.5
183.08174	1.6
184.05322	1.7
185.06059	10.0
195.06644	7.5
195.08179	1.6
197.04552	7.4
197.06133	3.7
199.07642	5.0
201.05582	4.7
203.07146	2.0
213.09323	2.4
223.07687	4.3
225.05551	4.4
227.07201	4.0
229.05035	7.4
233.04474	1.6
236.79616	1.6
241.05164	3.7
241.08682	2.9
243.10178	3.7
251.07115	3.1
255.06677	3.9
267.06775	2.1
269.08203	2.6
271.06155	17.3
271.09760	12.2
283.06155	9.9
283.09338	2.3
285.07672	1.7
297.07816	2.8
301.07141	6.7
313.07202	100.0
314.07501	7.1
325.07214	4.5
327.08759	1.8
343.08240	75.7
343.11938	9.4
344.08566	3.9
355.08243	3.6
373.09290	23.6
374.09689	2.4
385.09436	2.0
391.14197	15.1
397.09036	1.9
415.10461	8.3
433.11465	17.6
445.11301	7.3
463.12387	3.7
532.71356	1.5
553.15637	6.4
571.18561	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
59.01381	4.4
61.98826	3.2
68.99807	0.6
69.03437	1.0
71.01391	3.9
71.32365	0.8
79.01889	0.9
81.03453	2.3
83.01370	0.7
85.02944	1.7
87.00898	1.0
89.02453	12.8
90.02778	1.9
93.03454	2.0
95.01391	7.5
97.02963	2.1
101.02435	1.5
105.03443	1.5
107.01413	5.9
108.02169	1.5
109.02962	2.3
111.00864	1.1
113.02456	0.8
119.05035	0.7
121.02948	2.9
123.00900	7.2
123.04541	1.4
124.01692	4.6
125.02459	15.2
131.03490	1.0
133.02948	0.9
135.00903	0.9
135.04539	1.4
136.01680	1.0
137.02480	5.0
139.04054	0.8
141.01857	0.8
145.02934	0.7
146.18158	0.5
149.02444	1.8
149.99599	40.5
151.00391	29.7
151.04010	1.9
152.00732	0.9
153.01971	1.0
161.02446	1.1
163.00374	3.6
163.04013	1.1
165.01950	4.8
167.03482	1.2
167.99208	0.7
168.00653	15.2
169.01445	13.3
177.01956	1.1
178.99902	0.8
179.03458	1.1
181.01437	4.9
191.03506	1.0
193.01425	4.9
196.03767	3.9
200.01181	1.9
209.11772	1.1
211.06180	5.3
312.04633	0.6
313.05658	0.8
417.10263	0.6
418.26837	1.0
419.27454	0.8
427.08615	0.6
445.09897	100.0
446.10165	7.2
463.17557	1.3
475.17618	2.3
493.28070	1.5
523.18927	0.6
535.19702	1.1
552.32501	5.8
553.14691	0.8
553.33411	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38527	1.9
57.74069	2.5
58.00596	3.8
59.01384	82.5
61.98811	2.6
67.72372	2.1
69.19453	15.0
71.01390	43.7
72.99297	4.8
73.02937	3.9
77.69685	2.0
85.02958	8.9
87.00875	4.1
89.02451	43.8
95.01358	2.8
101.02443	25.2
113.02448	16.5
117.03455	2.8
119.03506	23.7
119.05006	2.3
121.02950	9.9
123.00906	3.7
123.04575	3.7
124.01636	2.3
131.03462	3.3
134.03757	18.6
135.03355	2.1
135.04509	9.8
136.01668	6.0
136.05316	13.4
137.02481	2.6
138.03241	3.9
143.03424	3.4
145.02963	39.9
146.03786	18.1
147.04509	2.9
149.02448	18.8
149.06096	21.6
150.03233	17.7
151.04027	14.0
160.05276	2.7
161.02449	7.1
161.04622	2.6
161.06087	8.0
162.03246	46.2
163.03990	7.5
164.04762	4.3
165.05569	10.7
173.87355	2.3
177.05589	27.1
179.05603	6.9
182.89066	2.5
185.11876	4.1
194.05826	10.3
195.06647	49.5
209.08305	2.6
212.15970	2.4
239.07159	8.1
254.09450	10.1
269.08359	2.9
269.11768	5.8
283.09750	3.0
311.09402	3.5
327.12524	4.8
343.08029	2.0
343.11847	55.2
355.11856	50.4
391.17505	8.3
409.22601	2.6
493.23166	5.1
549.06995	3.9
553.19354	100.0
554.19635	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63730	1.3
52.03131	1.6
56.74152	1.5
59.01381	13.8
69.78675	6.9
71.01389	6.0
85.02913	1.8
88.98812	5.5
89.02449	5.5
93.03495	2.7
98.21788	1.6
101.02418	2.4
108.02156	2.1
113.02442	2.3
119.05043	1.7
121.02961	6.9
122.03764	10.4
123.04539	9.6
133.02928	1.6
134.03777	3.3
135.04538	7.3
136.05331	11.6
137.86382	1.4
141.84087	1.3
149.02457	15.7
149.06114	2.4
150.03235	93.2
151.04024	34.4
151.07697	2.9
152.04298	2.0
164.04823	5.9
165.05579	94.1
166.05875	2.8
178.97911	1.5
180.04335	7.5
181.05095	23.2
191.05621	1.9
195.06641	91.0
196.07007	2.6
219.06560	1.9
234.56088	1.5
253.54976	1.5
283.09784	2.3
295.62323	1.6
311.09189	7.7
337.37152	1.6
343.11868	24.0
344.12338	3.2
391.14011	100.0
392.14474	8.5
444.91534	1.8
494.35553	1.5
553.18945	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57143	0.8
59.01385	8.9
64.43645	0.8
69.07596	7.3
69.08006	2.4
70.43443	1.0
71.01382	1.7
73.02923	1.3
74.08331	0.8
85.02941	0.9
88.98803	1.3
89.02459	1.1
93.03451	1.3
108.02168	1.4
109.40968	0.8
113.02477	2.9
119.05010	1.3
121.02962	6.0
121.06594	1.2
122.03733	4.1
123.04510	4.0
124.01609	1.2
132.02158	1.1
133.02940	2.6
134.03749	1.4
135.04535	4.5
136.05307	17.4
137.06105	1.4
147.04626	1.0
149.02454	18.3
149.06113	2.1
150.03241	57.6
151.04039	15.1
151.07579	2.2
152.04260	0.9
164.04820	5.5
165.05577	31.7
166.05972	1.4
180.04332	1.9
181.05107	10.1
183.52539	1.0
195.06641	46.1
196.06999	2.0
257.02032	1.0
269.08121	0.9
283.09772	5.1
284.10507	1.9
311.09274	9.5
322.04349	1.0
325.37997	1.0
343.11865	78.0
344.12210	5.7
367.11804	3.9
391.14014	100.0
392.14471	8.0
553.19330	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	9.0
69.68945	2.3
69.69354	1.1
70.74199	0.6
71.01375	2.1
71.07441	0.6
73.02955	0.7
83.01402	0.7
85.02964	0.7
89.02446	1.5
93.03463	1.5
95.21726	0.6
95.33120	0.6
96.96019	0.8
97.68333	0.6
101.02457	0.8
108.02197	2.1
109.03011	0.7
113.02478	2.7
119.05044	2.1
121.02973	7.4
121.06658	1.0
122.03784	4.7
123.04539	5.5
124.01662	0.7
125.02436	0.6
132.02187	1.7
133.02963	3.8
134.03755	2.0
135.04532	6.0
136.05321	17.5
137.02486	1.0
137.06116	2.3
140.81642	0.7
143.39081	0.6
147.04561	0.8
148.01709	0.8
149.02466	17.8
149.06087	2.3
150.03241	61.0
151.04034	16.2
151.07686	2.8
155.03487	0.8
161.02470	0.9
162.03206	0.9
163.03983	1.5
164.04803	6.3
165.05585	32.6
166.05946	0.9
180.04260	1.9
181.05066	9.5
191.05598	0.8
195.06638	45.1
196.06952	2.1
219.06656	1.4
237.07658	1.0
269.08234	1.6
283.09824	5.3
284.10507	1.9
299.09271	0.7
311.09286	9.9
316.09543	1.2
325.10617	1.2
343.11880	81.5
344.12198	5.0
357.13599	0.8
367.11789	3.7
373.12976	1.4
385.13022	2.3
391.14011	100.0
392.14377	6.9
415.14023	1.6
553.19922	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24268	2.2
59.01381	40.5
69.19275	22.4
71.01382	12.1
72.99298	2.4
73.02951	3.6
83.01368	7.5
85.02978	4.6
88.98829	2.6
89.00266	2.4
89.02441	7.5
91.31637	2.5
93.03449	5.5
95.01385	3.5
97.02966	5.1
98.21770	5.4
101.02445	6.4
111.04522	4.2
113.02452	5.9
119.03503	3.6
119.05006	6.4
121.02950	21.2
123.00893	3.0
123.04540	10.3
125.02451	13.6
133.02953	6.1
135.04538	7.2
136.05333	16.9
137.02505	6.6
139.04050	7.8
145.02991	12.2
147.04507	3.7
149.02478	26.7
149.06113	4.7
150.03230	68.0
151.04045	12.4
151.07680	3.1
155.03459	3.3
157.06635	3.6
161.04576	2.4
163.04007	2.9
164.04791	8.3
165.01952	6.9
165.05579	68.4
167.03542	16.5
181.05051	10.2
185.06035	8.4
191.05606	7.9
195.06651	51.2
195.08318	4.9
197.04518	6.8
197.06140	3.6
199.07538	4.7
201.05612	4.1
220.48979	2.8
223.07678	4.1
225.05553	2.5
227.07236	6.3
241.05151	3.4
251.07320	3.3
255.06419	3.9
269.08142	4.3
271.06213	15.1
283.06006	7.5
283.09326	3.7
301.07422	4.7
311.09171	7.0
312.27625	3.0
313.07184	100.0
314.07617	5.0
325.07233	4.6
343.08145	66.8
343.11902	86.0
344.08545	6.1
344.12277	6.2
355.08554	4.0
367.11655	3.0
373.09174	19.4
373.13208	2.7
391.14035	96.3
392.14178	6.4
415.10266	9.4
433.11191	12.6
445.11163	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	5.5
57.03453	11.0
59.01386	77.3
61.98832	5.3
67.18994	1.7
69.03456	2.5
69.27525	14.3
69.27944	3.3
71.01388	76.6
73.02955	29.6
83.01417	9.5
85.02959	36.4
87.00884	4.7
89.02451	14.2
95.01418	2.1
97.03001	2.7
99.00880	10.5
101.02452	62.4
113.02458	35.1
119.03522	2.9
125.02460	6.2
129.01936	3.0
131.03517	20.9
137.02457	2.8
143.03477	5.9
149.04509	2.1
159.03014	7.5
161.04568	70.0
162.04860	2.6
209.11833	2.3
361.12967	100.0
362.13196	7.3
406.44135	2.4
409.20670	14.7
451.21399	3.2
491.25458	2.8
493.17267	9.8
553.25226	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.8
61.98811	8.9
68.83749	3.5
71.01368	6.9
96.96000	3.4
98.21758	7.5
101.02519	4.1
108.02174	9.3
109.02957	5.2
113.02468	4.9
116.92906	3.8
123.04498	8.5
125.02431	5.2
134.03793	18.1
137.02425	10.1
139.04010	9.4
146.03760	53.8
147.04492	3.6
149.06075	12.3
150.03194	11.0
151.04031	10.0
161.02402	5.0
161.06128	18.8
162.03262	8.1
163.04034	5.0
164.04791	36.6
165.05531	14.3
176.04776	3.2
177.05565	13.0
179.07153	100.0
180.07697	4.4
186.07530	3.3
192.04329	4.2
193.05075	5.4
195.06490	4.6
207.06606	8.9
243.06654	6.8
244.07097	5.0
245.07526	5.3
256.03644	5.4
269.08444	4.3
274.42444	3.7
283.06091	4.1
285.07727	16.0
285.11359	7.0
297.07550	12.6
298.08411	5.7
299.09225	8.2
300.10034	5.0
313.07211	8.6
315.08850	4.4
327.08701	10.4
328.09573	24.7
329.10278	8.7
330.11044	20.7
341.10254	9.0
342.11090	15.3
343.11893	86.5
344.12537	11.7
345.13440	26.4
355.11823	26.2
356.12476	9.4
357.13370	17.6
373.12973	40.0
376.02969	3.7
505.18607	4.7
523.19629	12.1
535.19714	7.0
553.20538	8.3
553.33771	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.6
59.01379	11.4
61.98837	47.3
69.03437	2.1
71.01384	8.4
71.32411	2.0
73.02945	4.5
75.00873	3.2
79.37080	1.5
81.03490	1.6
81.97704	1.4
84.80080	1.7
85.02966	3.7
85.05421	1.4
89.02446	5.9
92.19009	1.4
93.03477	2.9
95.01403	2.4
98.21825	1.8
101.02447	4.8
103.59737	1.4
108.02185	3.9
109.02956	7.1
113.02431	1.7
115.36259	1.6
119.03522	1.7
121.02966	10.5
122.03735	13.8
123.00851	2.1
123.04552	6.0
124.01656	1.6
125.02431	8.8
131.03514	3.0
134.03738	1.7
135.04521	2.5
136.01738	3.7
136.05319	2.3
137.02492	8.2
137.06108	5.5
141.47180	1.5
145.02971	2.4
147.04526	2.0
149.02469	3.9
149.04521	3.8
149.99603	13.6
150.03212	2.3
151.00430	10.0
151.04001	5.8
154.02817	2.3
154.61542	1.5
161.02412	3.4
162.03252	6.4
163.04002	2.5
164.04785	2.5
165.01904	3.0
165.05600	3.3
168.00641	3.6
168.26410	1.5
169.01482	3.4
175.04022	6.6
176.04817	35.4
177.05424	1.7
179.03516	4.1
179.05756	2.6
179.07164	9.9
179.08530	1.7
181.05038	1.9
191.07137	27.9
193.01471	2.8
194.05876	1.8
209.08047	1.6
209.11697	2.1
213.05589	2.2
225.05623	5.5
239.07068	2.5
241.05064	10.3
253.04979	7.6
256.07474	9.4
266.05829	3.5
267.06683	5.0
267.10025	1.6
268.07416	10.2
269.08179	3.4
271.09772	21.2
275.97903	1.6
279.06564	1.9
280.07465	5.4
281.08228	3.8
283.09741	13.9
285.03986	2.1
295.09775	11.0
307.05679	1.6
309.11435	3.6
361.22244	6.4
391.26611	1.9
445.09464	23.0
446.10153	2.2
460.15323	11.8
463.10904	2.0
463.17657	39.0
464.17795	3.7
473.32532	1.7
475.17648	100.0
476.17847	10.9
493.18884	11.2
505.18790	9.6
523.19623	14.0
524.20135	1.7
535.19763	6.5
535.33130	3.3
553.27850	2.5
553.34045	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2107
Annotation	Physalin V
Peak:m/z	Relative Intensity
54.92378	0.7
55.01871	0.8
56.22837	0.7
57.03445	1.3
59.01385	50.0
61.98841	1.6
68.99805	1.3
69.15250	2.7
69.15677	4.9
71.01389	12.3
72.01728	0.7
73.02956	3.2
73.33260	0.7
81.03431	1.0
83.01384	1.4
85.02967	4.4
87.00893	1.2
89.02455	44.4
90.02782	7.8
91.02855	4.4
93.03467	3.1
95.01413	1.2
95.05033	1.0
99.00903	1.0
101.02446	6.6
108.02190	3.1
109.02960	1.5
113.02460	3.8
121.02982	10.3
122.03757	7.6
123.00897	2.1
123.04549	3.9
125.02480	1.8
132.02167	1.3
133.02971	1.6
134.03712	1.1
135.04555	6.8
136.01671	12.5
137.02484	5.5
138.03204	1.1
146.03748	1.1
147.04503	1.7
149.00180	0.8
149.02446	19.5
149.06134	1.3
150.03244	38.4
151.04044	13.8
159.03003	1.4
159.04486	0.8
160.05334	1.8
161.04588	6.2
161.05925	1.8
162.03250	2.9
162.06796	0.7
163.04027	3.5
164.04849	4.2
165.05580	34.3
166.05965	1.2
172.05316	2.1
175.03986	5.4
175.07596	0.9
176.04716	1.5
177.05545	4.0
178.02710	3.6
180.04332	1.2
187.07610	1.0
189.05580	3.1
190.06383	5.8
193.05087	4.0
195.06664	16.0
205.08723	1.3
236.04781	0.8
252.04398	0.9
285.07385	1.0
299.09314	4.2
327.12469	4.0
331.22751	3.6
343.11649	1.8
357.13513	8.8
361.12949	4.7
385.42520	0.8
400.25510	0.9
401.26059	1.0
409.20770	1.9
417.27216	1.6
418.26849	3.1
419.27066	7.2
451.21490	1.0
475.17609	5.5
487.17606	1.8
490.16727	1.5
493.18411	2.2
493.28116	8.7
505.18723	51.2
506.19171	6.3
523.19617	4.8
552.32709	10.5
553.20258	3.6
553.32941	100.0
554.33087	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.6
58.00616	1.8
59.01385	34.9
61.98820	3.1
66.17887	1.4
71.01383	28.2
71.31506	2.5
72.99303	3.5
73.02955	6.5
74.99104	3.6
83.01386	5.2
85.02962	14.2
87.00883	4.2
88.98829	5.7
89.02451	17.3
93.03441	1.4
95.01402	2.2
99.00881	2.5
101.02455	18.2
109.02948	2.5
110.81969	1.3
111.00893	1.9
113.02470	6.6
119.03509	5.2
120.99679	1.5
121.02960	2.7
122.03780	2.0
124.01645	2.4
125.02457	3.3
131.03494	3.5
137.02431	11.2
138.03256	2.4
139.04004	2.6
147.04535	4.5
149.04617	2.1
151.04007	3.3
152.04762	2.0
161.04544	2.5
163.04044	2.1
165.05598	6.1
177.05551	2.5
179.07153	2.9
181.05092	4.8
189.05713	1.4
191.65688	1.5
194.05826	3.6
195.06674	10.1
207.06700	2.2
209.08235	1.8
222.44614	1.6
223.09698	2.2
236.06757	1.3
286.08228	1.3
300.02740	1.7
301.03763	1.5
301.10822	2.9
305.49234	1.5
313.10995	1.8
331.11884	2.4
343.11874	2.3
345.13412	2.3
347.15170	2.4
353.89850	1.3
358.14142	2.6
361.12988	5.3
361.17929	1.8
361.26089	1.6
373.16467	4.6
373.22180	3.1
374.22546	4.4
375.22879	2.5
376.15207	13.4
377.15863	1.4
391.17661	58.7
392.17911	3.7
463.08810	3.8
465.49115	1.4
478.36517	1.5
506.26794	3.6
507.27133	4.6
509.23978	1.8
538.19824	1.6
553.22827	100.0
553.32129	20.3
554.23267	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2305
Annotation	Baenzigeroside B
Peak:m/z	Relative Intensity
57.03444	3.6
58.00616	1.8
59.01385	34.9
61.98820	3.1
66.17887	1.4
71.01383	28.2
71.31506	2.5
72.99303	3.5
73.02955	6.5
74.99104	3.6
83.01386	5.2
85.02962	14.2
87.00883	4.2
88.98829	5.7
89.02451	17.3
93.03441	1.4
95.01402	2.2
99.00881	2.5
101.02455	18.2
109.02948	2.5
110.81969	1.3
111.00893	1.9
113.02470	6.6
119.03509	5.2
120.99679	1.5
121.02960	2.7
122.03780	2.0
124.01645	2.4
125.02457	3.3
131.03494	3.5
137.02431	11.2
138.03256	2.4
139.04004	2.6
147.04535	4.5
149.04617	2.1
151.04007	3.3
152.04762	2.0
161.04544	2.5
163.04044	2.1
165.05598	6.1
177.05551	2.5
179.07153	2.9
181.05092	4.8
189.05713	1.4
191.65688	1.5
194.05826	3.6
195.06674	10.1
207.06700	2.2
209.08235	1.8
222.44614	1.6
223.09698	2.2
236.06757	1.3
286.08228	1.3
300.02740	1.7
301.03763	1.5
301.10822	2.9
305.49234	1.5
313.10995	1.8
331.11884	2.4
343.11874	2.3
345.13412	2.3
347.15170	2.4
353.89850	1.3
358.14142	2.6
361.12988	5.3
361.17929	1.8
361.26089	1.6
373.16467	4.6
373.22180	3.1
374.22546	4.4
375.22879	2.5
376.15207	13.4
377.15863	1.4
391.17661	58.7
392.17911	3.7
463.08810	3.8
465.49115	1.4
478.36517	1.5
506.26794	3.6
507.27133	4.6
509.23978	1.8
538.19824	1.6
553.22827	100.0
553.32129	20.3
554.23267	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.6
58.00616	1.8
59.01385	34.9
61.98820	3.1
66.17887	1.4
71.01383	28.2
71.31506	2.5
72.99303	3.5
73.02955	6.5
74.99104	3.6
83.01386	5.2
85.02962	14.2
87.00883	4.2
88.98829	5.7
89.02451	17.3
93.03441	1.4
95.01402	2.2
99.00881	2.5
101.02455	18.2
109.02948	2.5
110.81969	1.3
111.00893	1.9
113.02470	6.6
119.03509	5.2
120.99679	1.5
121.02960	2.7
122.03780	2.0
124.01645	2.4
125.02457	3.3
131.03494	3.5
137.02431	11.2
138.03256	2.4
139.04004	2.6
147.04535	4.5
149.04617	2.1
151.04007	3.3
152.04762	2.0
161.04544	2.5
163.04044	2.1
165.05598	6.1
177.05551	2.5
179.07153	2.9
181.05092	4.8
189.05713	1.4
191.65688	1.5
194.05826	3.6
195.06674	10.1
207.06700	2.2
209.08235	1.8
222.44614	1.6
223.09698	2.2
236.06757	1.3
286.08228	1.3
300.02740	1.7
301.03763	1.5
301.10822	2.9
305.49234	1.5
313.10995	1.8
331.11884	2.4
343.11874	2.3
345.13412	2.3
347.15170	2.4
353.89850	1.3
358.14142	2.6
361.12988	5.3
361.17929	1.8
361.26089	1.6
373.16467	4.6
373.22180	3.1
374.22546	4.4
375.22879	2.5
376.15207	13.4
377.15863	1.4
391.17661	58.7
392.17911	3.7
463.08810	3.8
465.49115	1.4
478.36517	1.5
506.26794	3.6
507.27133	4.6
509.23978	1.8
538.19824	1.6
553.22827	100.0
553.32129	20.3
554.23267	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22303	1.3
59.01397	6.5
61.98825	5.1
66.45665	1.6
69.13097	10.4
79.15498	1.2
96.96050	2.1
97.90524	1.4
105.03468	3.5
109.02953	6.8
121.02973	2.6
123.04549	2.0
124.01684	5.2
133.02980	2.6
135.04539	2.9
137.02455	17.8
138.03239	10.8
139.04030	12.0
146.03734	4.4
147.04616	1.4
149.02435	11.9
149.06082	5.8
151.03975	10.1
152.04822	2.2
153.05592	6.6
153.88161	1.5
161.02461	34.9
161.04535	1.7
163.07597	1.6
164.04832	17.1
170.02216	2.3
176.04813	21.9
177.01955	2.0
179.03525	50.8
179.07127	24.7
191.07132	11.3
194.05861	48.8
194.07677	2.6
195.06158	2.2
209.08208	100.0
210.08516	3.6
217.02997	1.4
247.76772	1.4
278.38022	1.5
301.14304	1.5
315.16064	4.7
329.14041	6.1
330.14661	7.4
343.15521	52.0
344.16156	7.0
345.17184	5.8
359.18671	2.3
373.16608	2.2
441.50024	1.5
523.82379	1.6
535.23364	2.9
549.06909	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
59.01093	1.2
59.01382	20.1
61.98832	10.3
71.01389	13.1
71.05017	2.1
73.02937	2.7
83.01391	0.9
85.02992	3.9
88.98799	4.3
89.02456	16.0
91.28784	0.9
93.03455	0.8
94.56975	0.8
97.02976	1.0
98.21778	3.0
99.00906	1.6
101.02449	7.7
113.02452	3.5
113.18039	0.9
125.02442	4.2
131.03506	9.3
137.61397	0.8
139.11375	1.4
149.04536	5.8
153.12897	0.9
155.10788	1.3
184.86316	0.9
191.05626	4.5
197.11848	2.4
199.13409	100.0
200.13782	5.3
220.48726	0.8
286.03796	1.4
287.04196	1.8
293.08728	3.4
314.68134	0.8
343.24820	1.5
361.26068	2.6
374.22464	1.2
375.23035	2.0
391.26965	1.5
493.22766	2.9
493.29700	1.1
507.27289	1.7
523.31226	1.1
535.30957	1.0
553.13770	2.6
553.23523	0.9
553.32306	18.0
554.32654	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53869	1.5
57.13102	1.8
63.46222	1.7
70.99494	3.3
87.07835	1.9
98.10293	1.6
99.92590	46.8
100.92652	2.1
100.93377	2.3
108.34878	1.6
115.92082	23.2
116.92871	32.5
117.92875	2.1
136.96246	1.7
151.84526	1.5
161.66837	2.1
343.74243	1.9
553.26270	100.0
554.26508	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87715	0.4
57.03437	0.7
57.52583	0.4
61.98826	1.4
69.03459	0.4
72.19749	0.4
77.15847	0.4
83.05034	0.4
84.93869	0.5
90.47129	0.4
99.92590	62.3
100.92590	2.1
100.93269	2.3
108.30719	0.4
115.92086	34.8
116.92868	51.1
117.92896	1.6
117.93611	0.8
150.39305	0.4
165.84647	0.4
167.98877	0.5
183.94630	1.0
196.95514	0.8
211.97852	1.0
229.17871	0.6
423.32767	4.1
509.27710	1.0
523.25043	1.7
535.25018	1.1
541.26001	1.4
549.23083	1.2
553.26288	100.0
554.26550	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24478	0.4
59.01382	100.0
60.01718	0.6
61.98828	0.5
69.66052	0.5
105.82908	0.5
190.66660	0.4
252.36534	0.6
493.26114	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48815	0.2
58.36746	0.3
59.01383	100.0
60.01719	0.8
69.04626	0.7
69.05051	1.1
78.19745	0.2
83.16154	0.2
98.21775	0.4
165.05563	0.3
199.95277	0.3
207.80251	0.3
217.48743	0.2
238.98604	0.2
371.23959	0.3
431.25967	0.7
475.24939	0.4
493.25980	16.0
494.26184	1.9
511.26904	0.3
553.28284	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07216	0.3
58.79684	0.3
59.01381	100.0
60.01711	0.7
61.25037	0.3
88.20603	0.3
96.03072	0.3
115.14397	0.3
120.61247	0.3
158.34348	0.3
189.42226	0.3
193.21637	0.3
266.79361	0.3
401.40112	0.3
413.25494	0.4
431.25513	0.4
454.35815	0.3
493.25983	3.5
494.26743	0.6
553.28320	0.6
568.15552	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26887	1.1
55.28018	1.0
59.01383	100.0
61.98835	10.3
69.11059	5.4
69.11490	6.2
76.04352	1.2
85.12744	1.1
137.09734	2.0
208.41463	1.3
216.81520	1.2
420.91901	1.2
427.79697	1.4
461.12524	1.3
493.25815	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01714	1.0
61.98829	1.7
71.01392	9.3
73.02950	3.3
83.01407	1.7
85.02957	4.8
87.00892	0.7
89.02460	2.3
95.01406	1.0
98.21712	1.0
99.00925	1.4
101.02451	7.6
113.02463	5.4
119.03542	0.8
123.00844	0.9
138.03281	0.8
143.03531	0.9
149.99593	1.2
159.03052	1.6
161.04578	11.8
166.99844	0.5
182.02306	2.4
191.05725	0.6
197.04578	4.5
198.05048	0.6
208.86876	0.5
313.21771	4.4
363.83917	0.6
391.13861	0.7
445.10291	2.1
475.27615	0.7
493.28104	12.5
494.28821	1.6
537.27509	1.0
553.30334	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04102	50.7
78.95923	32.9
81.35832	5.5
96.96014	100.0
98.21815	12.4
134.33615	7.4
152.99597	42.6
190.42415	6.8
220.21776	5.7
290.46719	6.8
366.74570	5.9
422.98569	7.4
471.34598	27.1
517.16559	8.7
553.34949	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43116	0.3
56.09233	0.4
61.98837	100.0
69.25824	0.3
70.24990	0.3
70.45373	0.7
73.26120	0.4
77.24544	0.4
96.97005	0.4
101.20712	0.4
103.46376	0.3
106.35658	0.4
116.92911	0.8
121.02985	0.6
137.02475	0.5
142.96536	0.4
162.03304	0.6
163.04063	0.6
166.06378	2.3
174.03282	0.6
181.08804	0.9
262.16016	0.4
283.06012	0.6
295.06598	0.4
298.08606	1.0
311.78003	0.4
313.10770	0.6
325.11176	0.4
343.12012	1.6
492.51236	0.4
495.20599	1.1
525.21210	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
61.98834	100.0
66.94604	0.4
68.05519	0.3
70.43312	0.9
81.50807	0.4
103.78614	0.3
106.27856	0.3
112.77906	0.4
116.92892	0.9
117.92936	0.5
121.03004	1.1
136.01678	0.4
137.02432	0.5
161.02463	0.9
162.03325	0.9
163.04047	0.4
165.01982	0.4
166.06346	3.4
174.03267	0.6
175.04092	0.5
181.08783	1.2
194.02258	0.6
207.06729	0.6
265.05368	0.3
267.06680	0.4
283.06296	0.7
298.08771	1.2
313.11005	1.0
343.11856	2.4
446.17798	0.4
495.20636	1.4
525.21381	3.6
537.21283	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65742	0.3
59.01389	0.4
61.98834	100.0
67.24538	0.2
69.04353	0.7
69.04768	1.7
97.87081	0.2
104.35979	0.2
107.44331	0.3
118.46592	0.2
210.24916	0.4
329.01712	0.3
384.61658	0.3
511.26974	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02981	59.6
69.03390	100.0
91.35327	18.9
93.61098	19.2
101.09296	19.9
121.54840	20.4
122.28909	20.5
247.63211	22.7
279.67636	22.3
328.05579	19.7
410.20132	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05264	23.6
56.80505	23.2
59.01376	100.0
61.73592	19.4
61.98815	25.0
62.94674	21.7
95.05036	71.3
98.21764	58.4
99.04548	25.0
105.07130	26.5
106.30331	21.8
110.13544	21.6
120.88418	20.6
123.08187	70.3
151.12535	22.6
447.03641	24.1
511.26743	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25117	1.3
55.99490	1.3
59.01144	1.3
59.01393	10.4
61.98834	10.5
62.86912	1.2
66.28467	1.2
69.91817	1.1
70.88350	2.5
70.88675	2.1
78.95920	6.6
80.15075	1.6
80.76048	1.3
80.96536	2.4
82.18081	1.2
99.04541	2.7
125.09754	1.4
161.32336	1.2
200.48004	1.4
242.07983	3.3
279.23309	100.0
280.23642	6.6
381.12057	1.3
421.09274	1.4
477.26675	6.6
504.31107	25.5
505.31705	1.8
511.26895	5.2
512.27014	1.8
522.68207	1.5
554.27325	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21559	32.7
59.01372	78.5
63.28862	33.7
70.94698	100.0
169.10539	40.0
206.89670	37.4
206.94670	35.8
511.26974	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.3
69.14246	100.0
80.51318	9.3
100.40263	10.0
120.58688	10.0
134.85884	11.6
160.66260	10.0
167.07152	41.0
325.70178	9.6
511.27036	17.6
533.54498	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.2
61.98830	4.7
65.11751	2.4
68.65506	2.5
69.25729	2.6
70.65965	7.3
72.66941	2.5
85.02974	2.7
99.66582	2.8
137.09720	4.5
174.01917	2.4
330.21350	2.6
393.51724	2.5
511.27023	100.0
512.26947	14.1
554.27551	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55737	8.6
59.01370	32.4
70.49834	29.4
71.01392	12.4
75.86604	9.5
78.95924	27.0
79.25683	10.1
83.66071	8.9
95.05054	39.9
96.96011	14.2
137.06094	100.0
152.99590	11.1
161.54703	9.6
178.22180	9.3
255.23338	97.5
480.31122	68.4
486.33145	51.3
511.27069	95.3
512.27008	16.6
554.31805	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	83.3
61.98830	16.9
62.39185	9.1
65.20293	8.0
69.02412	100.0
74.96188	22.9
87.00900	9.1
93.28295	8.3
95.22215	8.9
126.52719	9.7
169.00934	9.2
218.82335	9.4
328.07318	9.2
511.26694	47.4
527.53162	10.3
555.24182	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08614	11.0
59.01389	25.9
61.88202	10.5
61.98830	71.1
69.01126	100.0
78.95898	18.3
118.05816	12.3
147.42136	11.6
191.05650	15.5
277.21768	44.3
296.21442	11.8
502.29294	27.6
511.27316	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77412	11.3
58.05050	10.9
59.01373	28.6
61.64155	10.4
61.98827	38.4
62.77204	11.7
69.11811	100.0
71.01367	21.2
78.95906	26.3
83.05049	12.6
87.04510	30.2
93.46048	12.0
98.21747	21.7
152.99628	20.6
164.04700	11.4
179.05640	12.4
327.21680	13.6
357.26401	20.0
509.25662	18.5
511.27103	35.1
555.25604	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75164	20.9
58.33619	20.5
61.98813	42.9
64.32584	26.6
84.48020	23.8
85.35212	24.9
90.58756	25.2
93.00629	28.5
101.15450	26.6
166.78464	29.0
242.64758	25.2
248.47191	27.1
250.82413	25.0
312.11411	27.7
335.73416	27.3
357.26431	100.0
511.26819	94.6
552.41107	27.7
556.67157	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09793	2.7
56.36617	2.7
59.01382	24.9
69.04816	30.5
79.35564	2.7
83.05039	2.7
86.95513	2.8
98.22558	5.3
118.58586	2.7
139.07661	60.6
153.86723	3.1
171.10216	3.4
199.48193	2.5
202.17062	2.7
209.11842	100.0
210.12079	4.8
227.12830	11.6
359.37863	3.3
371.18582	5.2
494.26382	3.4
511.26993	11.8
524.69531	3.1
553.44397	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38290	3.5
52.48940	3.6
59.01383	39.5
60.01733	3.6
69.02770	39.4
69.03448	4.5
78.79167	4.1
97.02976	6.3
98.21793	7.7
101.26606	3.4
126.03255	5.0
137.06129	3.9
139.07669	100.0
193.82094	3.6
371.18817	4.6
449.27094	8.6
467.28030	29.7
493.25934	10.5
494.26694	6.7
509.25552	8.9
511.26804	45.2
512.27277	4.2
527.40350	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09230	4.3
57.03449	4.8
59.01384	100.0
61.98837	19.4
66.00263	4.2
69.23599	14.8
69.24026	25.1
69.42348	4.1
79.75061	4.6
98.34591	4.9
132.46600	4.6
139.07700	32.2
188.07132	4.6
495.27417	15.0
511.26581	32.8
532.68317	6.1
537.29529	5.2
554.28326	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	19.6
59.22947	3.2
64.04967	3.2
65.92294	3.5
69.31733	27.3
83.20183	3.6
89.01131	3.6
98.22469	7.3
113.02369	3.8
139.07652	39.1
152.59312	3.3
164.59344	3.3
323.74887	3.9
511.26981	100.0
512.27417	12.3
518.31573	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98845	43.5
71.01390	83.0
73.02953	43.2
78.29198	26.7
93.03487	29.4
101.02479	74.5
104.74390	27.4
111.04588	29.2
122.06152	51.8
125.02461	45.9
137.02415	52.0
149.02469	61.7
150.03259	57.6
151.03998	46.4
152.07182	83.0
160.04099	29.8
161.04514	58.2
164.04857	48.1
165.01958	54.5
165.05588	71.6
172.76788	32.3
192.06679	74.8
195.06589	36.3
220.69540	33.7
222.11403	26.2
229.26073	38.0
255.99919	28.1
325.90030	30.7
357.14426	63.7
511.29092	60.5
554.30127	30.6
555.27167	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86622	3.4
54.15333	3.7
54.33405	3.4
56.79115	3.1
59.01385	42.6
77.13495	3.3
83.05022	4.1
91.52254	3.5
137.03259	4.0
139.06648	6.8
139.07666	95.3
158.70134	3.5
159.56529	3.8
171.10258	8.9
192.89867	3.9
209.11855	100.0
210.12186	4.2
227.12869	13.7
309.81052	4.8
440.54510	3.7
450.16888	3.9
455.80298	3.8
494.25760	7.1
511.27032	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38351	0.4
59.01380	3.5
61.98566	0.6
61.98837	8.4
70.65873	1.3
73.60392	0.5
78.95908	5.8
80.22151	0.4
80.96517	0.4
91.79869	0.5
100.68737	0.4
114.52822	0.4
117.40184	0.4
128.89523	0.4
148.36923	0.5
152.99571	1.0
168.04344	1.6
224.06905	1.0
242.07954	2.5
279.23312	100.0
280.23685	6.2
504.30994	27.7
505.31369	2.5
554.27496	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13433	0.5
58.80298	0.5
60.48270	0.6
61.98813	1.0
63.64487	0.6
68.99281	4.5
68.99697	1.2
78.95911	19.4
98.22542	1.0
103.94864	0.6
125.52573	0.5
130.44998	0.6
152.99579	2.7
154.75594	0.6
168.04309	3.3
168.52740	0.5
191.58595	0.5
224.06932	7.7
242.07945	2.1
279.23300	100.0
280.23602	6.1
504.31000	60.7
505.31219	4.4
575.79926	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.31
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.61586	0.7
69.05555	3.5
69.05965	2.0
98.21744	1.4
111.35666	0.7
119.41886	0.7
189.49667	0.8
285.81775	0.8
347.50769	0.7
397.26794	0.7
469.27219	1.1
469.33231	7.1
470.33612	5.2
545.95654	0.8
554.30975	55.9
555.31305	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	64.6
61.98805	23.1
62.67559	13.3
69.13011	100.0
81.92974	12.3
118.95280	11.8
193.84970	12.3
375.82584	16.2
473.80487	14.1
551.80579	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66923	4.2
61.98824	11.8
69.00161	14.6
69.00574	29.5
70.11423	4.3
71.21907	4.5
78.61812	3.9
78.95926	7.4
141.64719	4.1
169.44550	4.4
179.26410	4.4
191.18958	4.0
277.21719	100.0
278.22162	16.1
279.22455	7.6
346.17410	4.5
471.63608	4.9
490.22440	5.0
502.29431	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93534	0.5
51.41593	0.5
59.01384	19.9
60.01691	0.6
61.98826	0.9
69.08092	4.4
73.72302	0.4
78.95908	17.3
83.93952	0.4
85.38346	0.5
85.79575	0.5
96.66956	0.5
96.96990	0.5
112.12249	0.5
152.99586	2.6
155.37947	0.6
168.04330	2.7
197.06483	0.5
224.06927	7.8
242.08012	1.7
255.23306	100.0
256.23666	6.3
319.25931	0.6
480.31000	66.2
481.31351	8.0
505.17221	0.5
511.26764	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	17.6
65.83703	6.8
69.60947	33.7
75.75672	7.4
84.00928	15.1
122.43546	8.5
140.65349	6.9
197.27449	8.6
275.57535	8.1
355.58340	7.9
359.40128	8.3
445.84329	7.7
491.31573	100.0
492.31448	17.4
493.53098	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42764	0.8
59.01379	7.9
60.99023	1.4
60.99311	15.1
61.98809	1.4
64.78214	1.0
65.00327	3.4
71.01392	1.9
71.29015	0.9
71.29417	1.0
73.02964	1.1
75.99055	0.9
83.01363	1.6
88.98814	100.0
89.02438	1.4
89.99095	0.8
96.57106	1.0
101.02438	1.0
107.01394	4.6
108.02133	1.1
110.90753	0.8
121.02967	7.8
122.03770	1.8
123.00882	1.2
123.04573	4.2
125.02452	4.2
133.03030	1.7
134.03505	0.8
135.04538	2.8
136.05357	6.4
137.05711	2.7
145.03026	1.1
149.02431	8.3
149.06107	1.1
150.03259	27.3
151.00380	24.6
151.03923	11.6
152.01170	1.3
152.03740	3.2
153.01903	2.8
164.04817	2.7
165.01938	1.8
165.05573	14.8
166.02698	1.2
166.05971	5.7
166.99869	1.8
167.03578	0.9
167.06093	3.8
175.04056	1.5
178.99902	1.8
179.07097	1.0
180.04327	1.6
181.05051	5.1
182.02216	2.8
182.05389	1.5
183.05583	1.0
195.06638	15.6
196.06998	8.1
197.04564	6.1
197.07089	4.6
209.04495	1.9
257.04370	0.9
283.09702	1.2
284.10248	1.7
285.01233	0.7
285.04071	16.0
285.10504	1.2
303.05170	1.1
310.53619	0.9
311.09299	1.7
312.09766	1.4
313.10028	1.8
325.23059	0.8
343.08105	1.3
343.11865	11.9
344.12192	15.5
345.12454	22.1
346.13202	0.9
369.12460	2.2
391.14072	10.6
392.14322	16.7
393.14706	32.1
394.15094	1.5
465.10410	17.5
466.10831	2.8
495.14627	2.8
517.78180	0.9
555.19708	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.3
59.01369	1.0
61.98832	13.8
67.44043	0.8
70.32546	2.9
81.03464	2.2
83.01386	4.1
93.03475	2.1
95.05040	2.8
96.95993	2.9
96.96957	1.3
97.02950	6.2
108.02172	2.1
109.02966	20.8
121.02957	9.8
122.03737	2.0
123.04529	16.3
125.02457	20.6
135.04543	3.7
136.01627	1.7
137.02451	32.0
139.04004	3.2
141.67851	1.2
145.02963	2.8
146.03734	2.7
147.04549	1.1
149.02429	7.9
150.03253	2.8
151.04030	9.3
157.06598	1.0
159.04541	2.6
160.05331	1.5
161.02420	8.9
161.06105	4.2
162.03194	5.6
163.04027	6.4
164.01169	2.9
165.01935	6.7
165.05557	1.0
166.06364	18.3
167.03493	1.4
169.70833	1.0
173.02419	0.9
173.05991	1.3
174.03249	5.1
175.03986	3.8
175.07610	3.0
177.05602	1.4
179.03511	7.0
181.08765	7.2
185.06113	1.3
187.04039	4.4
188.04810	4.0
189.01924	1.7
189.05516	2.0
191.03481	1.3
194.02176	1.9
203.03510	1.2
203.07182	11.7
205.05048	9.5
207.06577	1.0
221.08249	3.6
225.05670	1.1
227.07089	2.5
237.05705	1.3
238.06441	1.0
239.07172	1.0
240.04376	1.6
241.05063	1.4
243.06506	1.2
245.08148	14.8
246.08374	1.2
254.05728	2.1
255.06558	3.3
265.05023	2.5
266.05762	2.0
267.06418	1.5
269.08008	1.1
270.08896	1.5
271.06067	1.8
271.09573	1.2
280.07553	2.6
283.06085	4.6
289.07196	100.0
290.07489	5.9
295.06186	0.9
295.09750	1.8
298.08453	6.7
299.09167	1.1
310.08511	1.7
311.09323	1.3
313.07288	1.8
313.10730	12.4
325.10809	2.1
327.03238	1.0
328.09229	1.4
343.11911	12.9
349.90521	0.9
433.11398	1.9
489.19308	1.0
495.20370	7.8
507.20380	1.6
525.21350	21.2
526.21490	2.0
537.21436	1.8
555.14618	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36723	4.2
59.01382	46.1
60.01726	5.9
61.98832	100.0
71.30802	4.7
97.02964	4.5
117.92971	3.8
127.16309	4.1
142.05533	4.3
182.10504	4.7
226.23398	5.3
248.09201	4.1
338.68164	5.1
380.00262	4.5
427.78870	4.8
495.27017	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.4
58.00589	5.0
59.01383	96.5
60.99316	1.7
71.01385	73.8
71.29294	2.3
72.99296	7.6
73.02953	2.3
76.25521	1.5
83.01394	2.7
85.02972	11.5
87.00890	4.9
88.98800	6.9
89.02451	100.0
95.01446	3.7
96.96008	10.9
97.02952	1.7
101.02448	36.2
103.72283	1.3
103.79099	1.4
108.02304	1.5
113.02460	32.6
117.05584	3.0
119.03506	40.4
121.03011	3.8
125.02471	2.8
131.03511	5.5
133.03043	2.2
134.03761	28.4
139.57750	1.3
143.03500	6.0
145.02998	3.5
147.36057	1.5
149.02443	4.7
149.04837	2.3
149.06097	21.8
150.03284	7.3
161.02473	4.6
161.04561	11.6
162.03264	17.4
163.03851	1.7
164.04759	1.6
165.05612	9.4
177.05580	10.6
179.05608	18.6
180.04254	1.7
195.06561	7.7
210.49554	1.4
289.07541	1.6
305.03650	1.7
330.11020	1.7
345.13477	4.5
357.11877	2.4
457.17334	2.9
465.17432	1.7
495.12030	3.6
495.20819	1.5
507.18768	14.0
537.77454	1.4
555.09143	3.1
555.20880	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.7
61.98826	1.8
69.26522	3.9
71.01389	4.9
73.02949	1.1
83.01391	1.0
85.02953	1.7
87.00872	1.0
89.02452	1.3
93.03458	4.3
99.00900	1.8
101.02439	4.9
113.02465	2.0
121.02959	8.5
121.69256	0.8
122.03751	14.7
123.04575	1.4
128.43008	0.9
133.02977	1.0
134.03702	0.9
135.04536	1.3
136.01634	2.0
149.02458	22.0
150.03241	89.8
151.03577	2.8
161.04565	1.5
163.04083	1.9
164.04778	4.1
165.05583	100.0
166.06070	4.9
180.04320	5.0
181.08704	1.1
195.06636	62.8
196.06937	2.3
207.06567	1.0
266.05768	1.0
267.10159	1.1
269.08209	4.0
269.11346	1.0
280.07382	0.9
281.08362	1.0
283.09726	1.6
291.18011	4.7
295.06085	0.8
297.11411	3.1
298.08282	1.0
299.09293	3.4
310.08383	1.0
311.09262	4.2
313.10889	1.3
314.11670	6.7
315.12228	1.3
325.10785	2.3
326.11560	2.8
329.13916	16.2
330.14328	1.8
333.46954	0.8
341.13889	10.1
343.11890	1.6
373.12579	1.3
423.22446	6.1
462.16632	1.1
477.19040	5.3
495.29077	1.5
507.20370	13.0
508.20551	1.6
525.21198	1.8
537.21881	0.9
555.26990	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03819	1.3
51.72239	1.4
54.07789	1.4
71.19794	1.3
74.42214	1.7
93.03465	4.5
119.63612	1.4
121.02953	10.1
122.03757	10.8
133.02950	3.3
147.04517	1.5
149.02443	57.3
150.03239	80.0
151.03653	2.4
164.04784	15.1
165.05580	78.6
166.06088	1.9
180.04317	3.7
195.06635	40.5
226.08597	1.7
269.08221	5.1
269.11700	2.9
296.10571	2.4
297.11221	12.1
299.09012	2.6
311.09256	5.0
311.12555	2.0
314.11630	6.9
315.12381	2.8
326.11676	3.1
327.12207	2.1
329.13956	14.8
341.14084	7.3
431.09781	1.7
431.15146	5.6
433.16812	5.1
442.56552	1.8
462.16891	5.6
477.19308	23.9
492.17902	3.1
507.20248	100.0
508.20419	11.2
555.22125	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	3.5
69.14190	7.9
71.44238	0.8
78.36362	0.8
93.03503	1.1
93.77616	0.8
108.02205	1.3
109.02949	8.4
117.03421	1.0
121.02950	3.8
122.03765	6.8
123.04512	3.5
132.02190	1.3
133.02983	5.2
135.04509	3.0
147.04549	1.9
149.02457	16.4
149.06053	1.0
150.03244	66.4
151.04028	7.7
159.04529	2.8
164.04810	4.9
165.05586	49.0
173.06071	3.3
180.04341	2.6
181.05025	4.5
186.05792	0.9
189.05620	1.4
191.07127	1.1
195.06635	20.0
203.07198	1.9
241.05049	4.7
255.06535	2.5
267.06482	2.5
269.08118	1.3
281.08179	1.6
297.07855	4.4
299.09247	3.7
311.09390	1.4
313.10910	6.9
329.10352	1.8
330.11050	1.4
343.11923	1.2
344.12665	10.2
345.13321	3.3
359.14984	25.2
360.15302	1.5
401.16211	1.3
443.14774	1.7
447.14508	2.2
461.16019	7.9
477.15463	3.4
492.18274	1.7
507.20279	100.0
508.20529	9.5
555.22070	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80103	0.5
59.01376	1.3
61.61555	0.5
61.98823	0.7
71.30953	0.6
74.21551	0.6
85.63925	0.5
93.03466	2.2
100.27828	0.6
108.02192	2.2
108.40931	0.5
109.02967	9.0
121.02956	4.0
122.03758	7.9
123.04555	5.4
125.02450	0.5
132.02185	1.5
133.02994	6.5
134.03699	1.4
134.87161	0.5
135.04518	4.4
136.01645	1.1
137.02440	0.8
145.03004	0.9
147.04498	1.8
149.02452	20.0
150.03238	69.3
151.04050	9.2
159.04546	2.8
161.02490	0.6
162.03241	0.6
164.04797	5.2
165.05585	47.2
166.05876	1.6
173.04778	0.6
173.06039	3.2
177.05676	0.8
180.04292	2.4
181.05077	4.3
189.05585	2.5
191.07173	1.4
195.06638	26.3
196.06985	1.3
203.07178	1.8
213.05467	0.7
239.07137	0.6
240.04210	1.2
240.49869	0.7
241.05121	6.3
247.93233	0.6
255.06703	1.7
265.08731	1.0
267.06525	2.0
269.08231	1.4
281.08218	2.0
295.09869	0.8
297.07770	4.1
297.10742	1.0
298.08426	1.4
299.09149	4.9
311.09241	1.7
312.10132	0.9
313.10834	6.2
314.11255	0.8
327.12375	1.3
329.10410	3.0
343.11935	0.8
344.12598	11.1
345.13406	3.7
357.13580	0.9
358.14200	1.4
359.15012	29.3
360.15125	2.7
401.15967	1.6
417.13562	0.7
431.15118	0.8
443.14984	1.5
447.14441	3.5
461.16049	8.0
462.16360	0.8
463.17657	0.9
477.15390	3.1
483.37949	0.6
492.17715	1.4
507.20267	100.0
508.20575	10.2
508.27490	1.1
555.22290	6.9
556.22186	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98487	5.0
54.07550	4.8
54.11517	3.9
61.98839	91.4
69.17187	18.0
69.17604	16.4
96.96928	6.2
113.58207	4.8
121.02957	6.7
123.04530	14.4
137.02478	8.3
149.02434	9.7
150.03242	11.6
165.05580	12.5
166.06349	9.0
195.06631	6.8
212.04733	5.1
225.05545	13.2
227.07088	5.2
240.04323	39.7
240.07915	12.0
241.05019	14.6
255.06624	100.0
256.07266	13.8
270.08987	93.2
271.09833	46.4
301.10822	60.6
313.10806	14.1
357.09839	42.9
373.13168	6.8
373.53708	5.2
376.54135	4.7
507.20413	10.6
519.15082	16.2
535.04053	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.5
59.01372	2.0
61.02418	1.0
74.22739	1.4
74.96193	100.0
75.00880	3.4
79.11993	1.3
82.31184	1.4
90.86350	1.2
114.99319	6.3
135.81302	1.2
138.06894	3.6
183.54929	1.2
196.02797	2.9
333.25806	1.4
377.24884	10.9
399.22775	7.0
413.20670	1.8
431.21774	2.0
435.20746	12.4
436.20914	1.5
451.12521	1.4
453.23730	2.0
453.30048	15.9
454.30606	2.5
475.28156	9.6
511.26086	12.2
555.24927	31.0
556.24982	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98774	1.6
59.29188	2.3
61.83974	1.7
61.98810	3.7
70.06797	5.2
75.14976	1.8
78.95905	2.8
90.27811	1.9
93.03437	2.9
108.02180	7.0
109.02968	5.3
123.04530	7.6
124.01682	54.3
125.02447	8.4
135.04544	2.3
137.02469	13.8
138.03300	1.8
139.04028	100.0
140.04346	1.8
146.85092	1.9
148.05328	44.5
149.02423	3.4
149.06047	2.8
151.03963	2.3
152.04788	4.2
163.07669	28.8
164.04800	8.2
165.05502	3.5
167.07036	1.7
179.07179	4.0
253.09283	2.1
295.52832	1.9
350.18298	2.0
359.14786	4.0
360.15689	6.9
373.16599	24.3
374.17184	7.7
375.18103	10.4
537.25079	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09513	1.4
55.01886	6.5
57.03451	4.5
59.01384	39.6
61.98830	6.8
69.03452	2.3
71.01386	50.0
72.99313	1.9
73.02957	27.1
75.93595	1.9
78.95866	2.3
83.01386	13.4
85.02955	27.4
87.00900	4.2
89.02473	13.8
93.03460	2.4
95.01376	3.0
97.02979	2.4
99.00892	21.9
101.02447	54.5
109.03046	2.1
112.01691	1.8
113.02466	17.5
121.02984	7.3
122.03747	3.2
123.04539	2.0
125.02460	6.6
129.01915	1.9
131.03522	23.2
133.02939	2.7
134.03748	1.9
135.04538	3.2
136.01701	2.1
137.02386	3.3
143.03481	3.9
145.03062	1.9
147.04530	5.2
149.02454	9.9
149.06026	2.6
150.03261	18.3
159.02994	4.3
159.04636	2.9
160.05318	2.3
161.02499	4.1
161.04594	13.6
161.05989	3.9
162.03242	2.7
163.04021	7.0
164.04817	5.8
165.05583	15.8
166.06369	24.7
173.06158	3.2
174.03264	6.5
175.04102	2.3
175.07686	2.2
176.04805	1.8
177.05528	4.2
181.08723	8.8
189.05545	2.1
191.05710	4.5
195.06680	8.6
203.68552	1.9
207.06706	3.4
220.07355	3.3
253.05185	2.3
254.05759	1.7
255.06644	2.1
267.06747	2.0
279.06769	2.5
283.06238	4.2
291.18179	82.1
292.18658	4.0
295.06326	2.2
298.08527	6.1
299.09082	2.0
310.08463	2.6
313.10739	5.1
325.10809	6.7
328.13120	2.4
329.14038	10.8
343.11981	7.1
355.11789	3.4
371.14957	4.7
423.22397	78.5
424.22897	7.1
477.19208	30.5
478.19669	5.9
489.19952	2.3
495.20511	3.3
507.20316	5.6
510.20453	1.8
525.21234	20.2
526.22009	2.2
537.21429	7.4
555.26685	100.0
556.26996	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.1
57.03467	4.3
58.00587	1.2
59.01384	43.5
61.98827	1.0
65.57842	0.9
69.03439	1.3
71.01387	52.5
72.99313	2.9
73.02952	27.3
81.03477	0.8
83.01399	11.8
85.02954	29.3
86.00117	1.8
87.00887	2.4
88.98802	1.1
89.02454	11.4
92.27505	0.9
95.01391	4.0
97.02962	3.6
99.00890	21.1
101.02455	60.0
111.00880	1.7
113.01731	1.8
113.02464	22.9
119.03488	0.9
121.02995	1.4
122.03751	1.3
125.02452	5.0
125.96955	0.8
131.03516	25.7
132.02350	1.1
133.02927	1.6
134.03787	1.4
135.04517	0.9
143.03503	3.2
147.04526	3.3
149.02455	5.7
150.03250	14.6
151.03935	1.0
158.03745	1.1
159.02992	4.0
159.04491	1.5
160.05345	3.1
161.04570	16.1
163.03975	1.7
164.04808	2.7
165.05585	10.5
166.06348	3.3
173.06137	1.0
175.07658	2.5
177.05609	2.2
191.05644	1.8
191.07208	1.0
195.06638	4.7
285.11270	1.0
291.18155	78.0
292.18539	3.7
295.06189	1.1
298.08490	1.0
299.09113	0.9
313.10965	1.2
325.10767	1.6
329.14099	6.9
335.16895	1.4
423.22391	78.6
424.22604	6.4
443.31546	1.0
447.17856	1.0
477.19247	20.6
478.19583	1.9
507.20276	1.9
525.21527	4.2
555.26666	100.0
556.27075	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	13.6
69.14119	11.4
99.92593	65.4
100.92608	1.9
100.93391	1.8
113.21459	1.6
115.92088	39.4
116.92134	2.8
116.92872	60.3
117.93662	1.7
140.31238	1.5
177.10034	1.6
225.11395	1.7
316.31638	1.9
316.64825	1.6
425.34238	3.6
455.35269	3.1
492.31821	19.6
525.25879	2.7
555.27820	100.0
556.28186	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2848
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01372	0.6
63.96237	0.8
71.01390	6.1
73.02945	1.3
78.98601	5.1
79.95746	8.8
80.96524	54.6
81.03460	0.6
85.02953	2.5
87.00879	2.0
94.98096	12.7
96.96030	0.6
97.02945	0.7
98.22526	1.4
99.00905	0.8
99.04555	0.5
101.02448	3.0
105.52097	0.4
106.98120	2.8
109.78795	0.5
122.97594	4.9
125.02456	3.0
127.04050	0.7
128.98419	0.4
134.97617	4.1
136.99174	1.2
148.99147	5.4
152.98660	6.4
154.33870	0.4
164.98647	10.2
166.36661	0.5
182.99738	1.9
187.88611	0.4
206.99733	3.4
225.00757	16.2
243.01782	1.2
252.72255	0.5
255.23297	3.1
299.04541	2.7
356.16751	0.5
555.28479	100.0
556.28906	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27908	0.3
52.33607	0.4
57.02753	0.5
59.01382	100.0
60.01715	0.8
61.98827	1.1
64.14659	0.3
69.03027	2.6
69.03452	0.9
77.57738	0.3
85.60754	0.3
111.31947	0.3
165.67023	0.3
234.61179	0.4
270.40860	0.3
366.89246	0.4
410.28992	0.4
451.29053	0.6
495.27597	8.1
496.28091	1.3
523.24615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63184	0.6
53.08134	0.6
59.01383	100.0
60.01727	1.0
61.98813	0.7
66.91873	0.6
70.64629	0.9
71.83597	0.7
87.65808	0.5
111.60429	0.6
112.50010	0.7
112.66241	0.6
139.07664	8.3
152.04031	0.6
172.74205	0.6
213.77086	0.5
230.54573	0.6
237.75578	0.6
444.51749	0.7
451.28851	0.7
495.27539	16.0
495.34180	0.9
496.28226	1.6
513.21356	0.6
555.24988	0.7
562.89032	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2969
Annotation	Cucurbitacin E
Peak:m/z	Relative Intensity
51.90723	0.5
59.01385	100.0
60.01728	0.9
61.98844	6.1
69.03467	6.0
101.96334	0.7
108.42696	0.5
119.98885	0.6
139.07675	1.6
150.59242	0.6
217.16090	0.7
284.74280	0.6
451.28976	1.2
477.25549	0.7
495.27554	18.1
495.34326	1.1
496.28329	2.3
502.19394	0.7
551.06232	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
68.15829	0.7
70.83188	1.3
100.07813	0.5
115.92047	0.8
120.88484	0.7
127.61426	0.6
151.11272	0.6
169.12350	14.5
170.12766	0.6
201.05362	0.7
237.09276	0.9
240.04193	1.3
241.08739	1.4
253.08745	1.7
255.03046	0.9
256.11029	1.2
265.08734	1.2
268.03802	4.3
269.08206	2.9
270.05499	0.6
271.06296	1.0
279.10376	0.6
281.08270	6.3
282.08951	1.0
284.10385	0.9
285.03961	0.6
285.07605	0.9
293.04938	0.6
293.08240	1.9
295.09766	1.9
296.10611	2.3
297.04034	1.8
297.07669	7.2
299.12915	1.6
308.06876	1.7
308.10205	0.8
309.07755	19.7
309.11148	0.9
310.05038	0.7
310.08270	4.0
311.09314	0.8
311.12888	1.6
312.10083	1.1
313.07333	1.0
315.12329	1.0
323.09232	4.1
324.10046	24.4
324.13586	0.9
325.07153	10.8
325.10785	6.3
327.12396	2.6
338.11523	1.9
339.08734	1.9
339.12372	26.3
339.16541	1.3
340.09515	5.5
340.13110	4.0
341.09787	0.7
353.13962	1.8
354.14795	17.9
355.11856	31.9
355.15515	2.9
356.12369	2.5
369.13281	1.7
370.14236	14.5
371.14755	0.8
385.16580	100.0
386.16959	7.3
388.05908	0.5
555.29498	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98831	54.9
69.18544	42.2
75.00894	5.6
78.95923	5.8
87.00889	6.1
94.83637	4.6
97.02985	4.9
98.21753	6.5
99.04551	5.4
106.00875	4.6
213.05338	5.5
384.44626	5.2
389.28867	5.3
407.25916	12.5
433.27661	25.3
477.26456	73.9
495.27548	36.2
509.25845	7.2
555.25934	14.7
555.33911	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81870	0.7
59.01387	100.0
61.98844	2.0
70.32636	0.8
71.01381	1.0
71.32139	1.1
71.43483	0.6
73.86388	0.8
75.00877	1.0
78.95926	0.9
137.09787	2.8
151.07666	3.9
193.85910	0.7
212.37018	0.6
214.46780	0.7
277.21860	1.1
289.43909	0.7
433.27405	0.8
451.28632	1.5
495.27649	9.6
555.27582	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57080	0.5
55.01878	0.5
59.01385	100.0
64.71844	0.5
69.33419	0.4
71.01385	7.9
73.02958	2.9
74.03426	0.4
74.92354	0.4
81.03496	0.5
83.01413	1.4
84.26970	0.5
84.51103	0.5
84.91798	0.5
85.02969	4.0
89.02459	2.4
94.24833	0.5
97.46910	0.4
99.00903	0.9
101.02447	8.6
113.02471	4.1
119.03497	0.7
143.03542	1.0
143.59964	0.5
159.02998	1.2
161.04570	6.8
161.05688	0.6
333.24606	0.7
374.53818	0.6
495.29709	17.3
496.30362	1.2
527.66766	0.5
555.29700	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98841	1.9
62.75259	0.6
71.01394	5.5
71.31743	0.7
71.32192	1.4
73.02953	3.2
83.05051	0.9
85.02974	2.7
87.00869	0.8
89.02477	1.5
92.13977	0.6
99.00890	0.7
101.02459	3.6
111.04568	0.7
113.02506	2.5
139.07684	1.4
161.04552	4.8
179.07469	0.7
491.24551	0.9
495.23758	1.2
495.30008	8.6
496.30478	1.4
512.27814	0.9
519.31879	1.0
555.22327	1.2
555.33875	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
57.03453	0.6
59.01382	100.0
60.01722	0.8
61.98841	2.1
69.08241	0.5
69.08642	2.3
71.01386	7.9
71.05023	0.3
72.99337	0.3
73.02951	2.5
75.00854	0.2
82.77591	0.2
83.01406	1.0
85.02953	3.2
87.00891	0.6
89.02472	1.2
95.01406	0.7
97.02987	0.2
99.00911	1.2
101.02450	6.8
113.02450	3.6
116.23771	0.3
119.03531	0.5
135.47388	0.3
135.99785	0.3
143.03528	1.0
150.03264	0.3
159.03024	1.2
161.04564	8.0
161.05885	0.4
163.04161	0.3
333.24600	0.5
352.83432	0.3
359.81711	0.3
360.65604	0.3
495.29663	12.1
496.29919	1.3
539.29504	0.4
555.31073	0.5
568.42139	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20493	0.5
55.99269	0.5
57.03443	1.3
59.01383	100.0
60.01715	0.7
61.98844	2.8
63.16368	0.5
67.26052	0.5
71.01389	6.9
71.32455	0.9
72.99313	0.5
73.02951	2.0
76.50208	0.5
83.01406	0.8
83.05013	1.0
85.02963	3.1
87.00909	1.7
87.04524	7.8
89.02476	1.8
94.38588	0.5
94.74994	0.5
97.02961	0.8
99.00910	0.8
101.02438	5.5
111.04575	1.0
113.02496	2.3
119.03551	0.9
125.02435	0.8
125.45853	0.5
127.04018	0.6
131.03532	0.9
143.03590	0.6
149.25441	0.6
152.01851	1.3
157.06819	0.6
159.03008	0.6
161.04602	4.8
174.36966	0.6
232.25838	0.5
327.21915	0.6
327.25519	1.2
333.24561	0.7
357.26486	18.0
358.26996	0.9
409.02173	0.7
495.29709	10.2
496.30017	1.2
555.28595	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27554	0.5
53.25500	0.5
57.22132	0.4
59.01384	1.2
61.98833	100.0
66.92487	0.5
71.29794	0.5
80.31281	0.5
96.18704	0.5
118.89707	0.5
120.90767	0.5
122.43787	0.5
123.22002	0.5
137.02496	0.6
166.06296	0.8
176.73698	0.5
196.07158	0.6
240.04411	1.0
255.06743	1.6
256.07257	2.0
270.09134	2.2
271.09436	2.5
272.10254	0.6
302.11395	1.2
341.14801	0.6
348.61060	0.6
357.09784	1.0
358.10406	1.2
584.75623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58480	0.7
58.07927	0.7
59.01381	7.3
61.39474	0.8
61.98835	100.0
69.07270	7.9
69.07600	1.5
71.01391	4.4
73.02930	1.3
85.02947	1.0
87.00882	1.4
89.02446	3.2
93.52029	0.9
94.08183	0.8
97.02951	0.9
98.13565	0.8
101.02448	2.7
107.51585	0.8
113.02455	1.3
131.03496	1.8
137.69269	0.8
139.07666	7.6
142.18579	0.7
161.04555	1.9
191.05637	0.9
229.36435	0.9
381.22751	2.6
395.34277	0.9
462.37875	0.8
508.13336	0.9
510.25955	0.8
513.25470	9.8
514.25732	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	60.1
60.01698	4.0
61.01797	2.9
61.98835	100.0
69.68001	6.2
98.21927	1.9
126.47473	1.2
139.07652	1.7
206.89359	1.1
439.13647	1.2
496.27362	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
60.12456	0.2
61.01827	0.3
61.98835	100.0
69.05779	0.9
69.06182	0.6
103.61581	0.2
119.18184	0.2
121.02947	0.2
149.84897	0.2
278.42715	0.2
301.36136	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	8.3
61.98835	100.0
69.55452	15.7
76.89916	2.6
76.94847	2.2
96.08461	2.8
100.47208	2.9
108.00603	2.6
116.92847	3.5
156.26302	2.7
179.37326	2.4
279.23401	5.5
413.25455	3.2
431.25964	8.2
493.25934	21.1
497.28848	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71899	0.9
61.98835	100.0
69.07459	11.4
162.86357	1.0
241.75021	1.3
318.42944	1.0
339.14728	1.1
346.73618	1.1
500.14142	1.4
513.28339	1.6
523.92004	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06858	4.5
57.03448	5.8
58.11705	4.3
59.01381	91.4
60.75292	4.5
61.98830	26.8
63.32646	4.4
69.01373	39.6
71.01388	73.2
72.99313	7.4
73.02946	8.6
73.92934	4.2
83.01383	5.4
83.05010	4.5
85.02950	23.7
87.00873	9.1
89.02451	100.0
97.02963	9.7
101.02447	49.6
109.06606	10.4
113.02464	36.9
119.03513	58.8
131.03505	53.5
143.03488	11.5
149.04558	17.0
161.04573	19.9
161.09746	6.1
179.05611	33.1
179.10745	4.9
186.56914	4.5
191.05598	8.2
197.11835	19.8
209.11850	19.7
233.15457	7.6
282.44363	5.2
322.00009	4.4
335.22198	5.9
381.22879	55.2
455.17838	5.7
489.24753	4.5
513.27527	17.4
525.27045	18.2
557.20319	89.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	63.4
60.01704	3.2
61.98834	100.0
69.03460	4.1
69.04946	7.6
69.05357	25.1
69.30909	2.8
71.01385	7.4
82.31638	3.3
84.18387	2.9
84.61748	3.1
87.00856	3.8
89.02441	9.9
97.02947	15.9
98.21823	6.6
101.02456	5.9
111.25916	2.8
113.02462	3.4
131.03488	5.5
139.07651	5.9
179.10773	3.7
191.05615	3.8
194.97481	2.9
197.11873	8.4
209.11888	10.3
254.12837	3.1
260.63348	2.9
262.59576	3.0
302.06512	3.3
382.96164	3.3
453.26675	6.3
495.27515	7.8
511.27301	5.3
513.28424	29.1
525.27063	13.1
556.29474	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.4
61.98835	100.0
62.98545	1.9
63.99267	8.1
67.15892	1.4
71.01382	1.5
87.00906	1.3
97.02966	3.6
99.04554	2.3
112.29147	1.1
113.02530	1.2
125.13732	1.1
125.90777	1.2
135.17180	1.2
138.70178	1.2
139.07639	6.3
251.99518	1.1
292.76541	1.4
357.20816	2.1
385.16718	1.4
420.51147	1.2
433.27734	1.8
451.28494	4.6
455.24512	3.4
469.29608	2.6
495.27429	10.6
513.28851	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98836	31.4
69.13500	20.0
83.65566	2.0
88.76753	2.1
97.02951	4.9
98.21757	4.4
98.51563	2.2
118.16792	1.9
125.09691	2.5
138.06876	3.8
145.51491	1.9
153.05542	2.7
380.82422	2.1
495.27509	12.8
496.28070	3.0
513.28583	11.7
556.28857	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14947	2.8
59.01097	5.0
59.01385	100.0
61.98835	82.6
62.22591	2.8
71.18536	2.8
87.12723	3.1
97.45881	3.1
98.17790	3.3
98.22575	4.6
104.84563	2.6
138.25574	3.1
139.07657	3.8
235.83607	3.1
310.19565	3.4
359.18597	3.7
453.30197	4.3
469.29468	15.4
497.29034	4.1
513.28656	38.3
514.28973	4.3
556.28967	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	46.0
62.79998	7.2
64.55168	7.9
78.95901	32.9
79.96796	7.1
92.61964	8.7
224.06833	9.4
230.52640	8.6
247.63696	8.1
253.09346	12.4
277.21765	53.5
279.23315	100.0
280.23526	9.0
390.19781	7.9
414.50049	8.7
504.30844	71.4
505.30997	8.6
506.31403	8.1
513.28516	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44130	8.9
61.14168	9.6
61.98838	18.2
62.91626	11.7
65.38502	8.3
69.04025	100.0
79.70347	9.3
83.79816	9.1
84.34314	9.1
95.22710	8.3
98.21836	25.8
102.40102	9.2
134.59148	11.0
158.41998	9.9
179.51497	10.1
186.96161	8.7
221.89201	9.7
261.03619	10.1
391.49518	10.5
425.76028	9.3
513.28656	30.8
523.54590	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	79.9
61.98841	22.2
62.63849	3.6
69.80315	3.9
70.35545	14.7
83.05013	5.1
89.02448	5.4
97.03027	4.4
99.04533	5.9
109.92699	4.2
120.60651	4.8
139.07637	9.9
143.50099	5.0
409.23868	5.3
421.01559	4.3
425.09573	4.5
451.28326	5.8
453.26306	19.8
465.09177	4.8
513.28674	100.0
514.28741	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	30.1
61.63764	18.5
61.98822	48.5
66.62077	18.3
67.30560	19.1
69.82178	100.0
72.88152	17.2
78.95916	24.4
83.81729	19.7
93.03474	27.5
133.03012	28.3
134.14626	18.5
173.04594	38.3
191.05434	18.7
214.32385	19.1
218.34828	19.0
253.13036	24.6
294.37512	23.8
352.07922	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55423	7.2
59.01380	50.5
61.98839	70.4
68.55567	7.9
69.54777	21.8
69.55190	28.6
71.01383	12.9
83.04996	7.9
87.00909	8.4
92.08939	8.1
95.97610	7.3
97.02966	9.5
101.02464	9.6
109.06641	6.8
111.04547	12.9
139.07661	94.5
151.07736	8.3
159.59230	7.2
166.63326	7.3
267.44220	8.3
318.63971	7.4
335.22049	14.0
378.19464	8.3
415.08527	8.1
469.29590	51.3
495.24103	8.7
513.29010	100.0
514.29047	9.9
557.25189	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	30.8
61.98833	85.8
71.01373	17.6
73.02934	10.5
83.01376	5.0
85.02939	11.2
87.00893	7.9
89.02457	13.1
97.02972	8.5
97.45661	4.4
98.22636	8.7
99.18427	4.9
101.02449	17.0
113.02418	5.9
123.99150	3.8
124.01676	4.6
131.03470	10.3
135.15396	4.1
139.04037	5.0
149.04544	4.3
151.03966	4.2
161.04561	13.5
178.98875	3.9
181.89449	4.3
229.29250	5.0
232.12096	4.2
381.22751	29.6
495.27640	9.2
513.28278	100.0
514.28644	12.0
565.40442	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.0
61.98819	1.2
69.10703	7.4
71.01383	2.6
72.64894	0.8
85.02963	1.1
89.02464	2.5
98.22475	1.5
101.02449	2.2
104.89214	0.9
112.51328	0.8
113.02451	1.5
113.67728	0.8
133.05048	0.9
165.59128	0.9
235.08183	1.8
253.09285	16.1
277.21738	100.0
278.22049	6.6
511.27295	1.2
513.27960	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64622	0.8
59.01370	4.0
61.98838	1.0
63.99674	0.9
70.06438	2.3
71.01375	3.8
77.89345	0.9
78.95918	2.2
89.02444	2.3
98.22427	1.3
101.02471	3.2
161.04523	1.4
235.08299	1.9
253.09293	14.0
277.21735	100.0
278.22049	6.8
279.23257	4.2
504.31006	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	5.7
61.53590	0.9
71.01378	3.6
71.30067	1.5
73.02937	1.1
85.02950	2.5
89.02457	3.1
97.02950	1.2
101.02443	3.8
103.67571	0.9
107.08780	1.1
113.02466	3.1
119.03463	1.0
121.02982	1.7
133.10316	1.6
135.08197	1.7
143.03462	1.1
153.09227	54.5
154.09604	2.1
161.04588	1.8
179.07167	1.2
188.64580	0.8
191.05592	2.8
195.10345	1.1
197.08208	100.0
198.08566	3.8
209.04536	1.7
224.07277	0.9
239.09084	1.3
299.11383	1.6
359.13513	50.5
360.13812	3.0
366.63260	1.0
497.26019	1.3
557.16107	3.4
557.23541	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56155	2.9
57.03430	3.9
59.01379	13.0
61.98830	18.9
71.01382	7.7
71.31108	4.7
73.02939	3.7
89.02455	13.4
98.02554	2.9
99.11231	3.6
101.02451	5.3
101.76743	2.8
107.05073	3.4
107.58801	3.1
113.02483	6.3
116.92853	5.5
119.03488	3.6
121.02962	100.0
122.03301	4.5
150.61781	3.1
155.73639	3.1
179.05605	4.6
191.05608	12.2
263.12909	5.3
283.10098	3.8
305.85190	3.3
311.09177	7.1
326.11530	5.0
341.13968	11.3
483.20193	6.6
497.55276	4.0
502.26611	3.6
557.30505	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	75.9
61.98833	46.1
71.01383	42.4
89.02465	100.0
101.02451	35.0
112.14340	13.6
113.02454	20.5
119.03529	61.3
125.02347	19.3
149.02423	25.5
150.03229	32.2
151.03766	16.6
165.05569	19.2
179.05649	47.1
341.14108	30.8
433.30603	14.1
509.21039	69.3
521.20148	44.7
550.54510	19.6
557.30450	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.18
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40998	15.2
58.07257	14.8
58.81478	15.1
58.96190	15.0
59.01381	43.7
69.12160	60.3
69.12585	100.0
77.02155	17.1
89.02473	36.8
98.21854	39.9
120.68630	15.6
151.07619	16.3
186.65482	16.9
246.08212	17.6
263.12796	46.1
293.97781	17.9
329.13895	69.4
341.14249	20.0
417.44119	16.9
557.23517	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.5
61.98812	5.3
69.03452	11.2
69.68236	16.0
70.18864	3.8
72.99295	5.6
77.05849	3.3
87.00888	14.7
93.03476	3.5
95.05016	4.5
97.02957	42.8
106.04245	35.9
107.05013	6.0
109.02905	7.1
109.06627	26.4
116.21804	3.1
121.02919	3.6
121.06605	14.4
122.03735	4.7
122.89882	3.8
123.04539	26.2
123.08184	4.9
125.02452	10.6
125.09732	9.1
133.06592	3.3
136.05333	6.3
137.02496	7.5
137.06107	32.9
146.51563	3.0
147.08209	5.5
149.06105	6.5
149.09746	7.6
159.04570	4.5
161.09764	4.3
163.07596	22.0
165.09239	8.4
167.03497	7.3
167.07222	3.6
173.09767	5.8
175.07706	4.6
175.11290	100.0
177.01945	4.1
177.09222	5.8
179.07188	24.7
187.11243	3.7
189.09213	5.3
191.10849	9.4
193.08647	8.3
200.08549	8.7
205.08653	4.6
207.06633	17.1
215.10756	16.5
217.08794	3.8
219.10298	58.7
226.10133	5.1
227.10706	4.2
228.08101	5.1
239.10718	4.1
245.11880	3.7
257.11801	4.7
267.14099	6.2
271.09998	4.1
273.11545	4.3
277.10797	4.6
281.11932	7.2
295.13605	5.1
317.19000	4.6
326.11609	4.8
335.20117	11.9
339.16208	4.3
361.18295	4.0
365.21072	4.1
369.17175	9.6
379.19254	15.4
389.21121	4.6
397.16376	17.4
415.17505	19.0
433.20398	10.7
448.65561	3.7
451.21774	17.3
452.29272	4.2
467.21143	4.5
469.18759	15.7
477.19214	6.9
495.20279	48.0
513.21332	22.1
557.20068	34.1
557.51013	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2033
Annotation	Roritoxin B
Peak:m/z	Relative Intensity
57.03452	2.3
59.01378	1.9
62.90946	0.7
69.03456	1.2
71.01383	0.9
73.02953	3.8
83.05006	0.9
85.06596	1.3
97.02972	2.8
97.06599	0.8
98.21797	1.3
101.02454	0.9
107.05051	1.4
109.02956	0.8
109.06590	6.3
113.02424	0.8
115.86253	0.7
121.02979	1.4
121.06594	2.2
122.03760	1.2
123.04523	1.0
125.02489	1.4
125.06107	0.8
133.06604	1.9
135.04533	4.7
135.08160	1.7
136.05302	1.1
137.06061	1.6
147.04495	1.0
147.08214	0.7
149.02422	1.1
149.06110	2.7
151.03981	1.1
151.07632	2.3
157.06551	0.8
159.04518	0.7
161.06120	2.2
161.09749	2.3
163.07675	0.8
163.11240	4.4
165.09129	0.9
171.04581	0.9
173.06160	1.1
173.09758	0.9
174.06810	1.1
175.07599	3.5
175.11143	1.0
177.09242	1.6
179.07077	1.0
187.04074	0.9
187.07695	1.1
189.09213	1.7
191.10764	1.3
197.11852	1.9
201.05676	1.7
201.09178	0.9
203.07159	1.0
205.08739	2.0
209.11873	1.5
217.08554	0.9
255.09976	0.8
257.11761	0.7
257.38672	0.9
283.13434	1.1
293.11734	1.2
295.13461	0.8
297.14847	1.1
303.95596	0.7
304.23895	0.8
309.11807	0.7
311.12961	0.9
325.14386	1.9
351.16092	0.8
365.17514	1.2
383.18854	1.1
411.18088	1.0
427.17276	0.9
434.97205	0.7
437.16217	0.7
455.17047	1.6
499.16165	3.6
525.26880	1.7
557.20288	100.0
558.20593	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74989	1.7
59.01381	2.5
62.62725	1.5
71.05006	2.3
71.39072	1.4
71.52988	1.7
73.02952	20.9
83.05062	2.0
93.36986	1.6
95.05058	4.0
97.02954	3.3
109.06590	9.8
121.02993	3.0
121.06622	5.0
123.04558	3.0
123.08157	2.5
125.02432	2.0
135.08296	1.9
137.06084	4.2
145.10307	1.4
149.06094	3.2
151.07690	2.5
161.09715	6.7
163.11304	3.8
173.06079	2.2
173.09717	1.8
175.11247	2.9
177.36755	1.7
187.07628	3.4
189.09142	3.9
191.06940	1.9
193.08745	1.9
199.07616	2.0
199.11226	2.1
202.09895	2.7
205.01741	1.7
207.10321	1.6
210.06880	4.0
211.07526	1.9
215.10756	4.5
217.12415	3.0
225.09177	3.6
225.12663	2.2
227.10771	4.8
237.12819	3.5
243.10414	4.4
245.11867	2.7
251.10768	2.6
253.08704	2.2
267.13898	3.1
271.09915	2.0
273.11337	13.8
281.12137	2.3
285.15015	2.8
326.11731	3.2
335.16559	3.0
337.14548	3.2
337.18228	3.9
347.15262	6.2
349.18182	2.8
353.17548	3.3
361.14474	3.1
363.16135	2.2
365.17749	2.8
373.18137	6.2
377.17569	17.6
378.18222	2.7
379.15497	4.8
389.21283	22.7
391.19128	2.1
395.18713	21.8
400.15421	2.2
405.20715	2.6
407.22318	7.3
421.16632	17.0
433.20239	19.5
439.17554	19.4
440.18036	2.7
451.21271	31.3
452.21854	2.4
453.18924	2.3
454.20358	2.3
467.20612	2.8
469.22833	12.7
471.20508	3.8
477.19061	2.8
485.21979	3.4
495.13028	2.9
495.20306	52.5
496.20712	5.2
497.18207	4.0
498.18903	5.7
513.21350	100.0
514.21960	9.2
529.20911	5.8
539.19537	5.8
557.20325	97.6
558.20587	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35122	7.9
69.35542	7.0
71.05015	3.7
73.02960	18.4
81.18586	2.1
83.05022	2.4
95.05027	3.0
95.80531	1.9
97.02981	2.5
98.22059	8.3
109.06605	9.8
115.24101	2.3
121.06567	3.7
123.04553	5.0
123.08159	2.6
137.06036	2.4
137.83342	2.4
149.06113	3.6
151.07637	2.5
151.90401	2.1
161.09772	7.0
163.11261	5.8
175.11308	3.6
189.09250	5.0
207.10223	3.5
210.06891	2.8
215.10837	2.8
217.12282	3.0
225.09233	2.7
225.12697	3.1
227.10811	4.9
229.08698	2.6
241.08556	2.4
243.10228	4.5
245.11746	4.0
269.11880	2.3
273.11285	12.3
337.14615	2.9
337.18237	3.2
347.15158	7.8
349.17801	3.4
373.18115	3.2
375.16556	2.5
377.17560	12.4
379.15634	3.5
383.18436	2.5
389.21222	18.7
395.18784	16.3
400.15839	2.4
407.22321	6.4
411.18539	2.4
421.16519	14.2
433.20145	16.2
434.20413	2.5
439.17557	19.2
444.14355	3.2
451.21390	26.3
454.20410	3.5
469.22537	14.4
470.22379	3.0
471.20047	6.0
485.21698	4.6
495.20331	58.6
496.20334	3.7
497.18457	3.7
498.18961	6.9
513.21313	93.2
514.21631	12.7
515.19366	2.7
529.20880	14.3
539.19226	5.3
557.20325	100.0
558.20587	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95178	6.3
59.01371	13.7
59.26750	5.8
69.34334	48.1
71.01388	8.7
85.02944	21.1
89.02451	12.2
96.96003	11.4
101.02448	11.6
110.71598	6.7
113.02441	19.8
117.04437	5.6
121.02964	13.4
125.02457	9.3
131.03551	16.4
131.93094	6.9
159.93935	5.6
161.04439	5.7
209.04553	13.8
289.07364	8.5
557.23724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2375
Annotation	Ananolignan J
Peak:m/z	Relative Intensity
55.01884	3.5
59.01384	9.2
64.02980	3.7
68.50585	3.7
69.08451	29.3
69.08881	10.8
71.01382	7.2
85.02966	5.9
89.02467	5.8
98.22510	9.4
101.02407	4.6
113.02479	3.8
130.40732	3.7
153.09229	13.8
161.04538	6.0
189.87459	4.2
197.08186	22.3
249.94035	3.5
299.11441	4.5
315.69437	3.8
359.13712	13.3
429.98871	3.7
523.89502	3.8
557.23718	100.0
558.24139	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26961	1.0
61.98835	6.4
62.33984	1.3
69.11844	8.7
76.09957	1.0
93.03465	4.4
108.02177	3.3
109.02361	1.2
109.02952	7.1
119.05023	1.9
121.02966	24.7
122.03755	21.1
123.04512	4.1
124.01675	1.4
129.03503	1.7
132.02101	2.9
133.02968	18.5
134.03769	14.6
135.04546	2.7
136.01591	1.4
136.05298	1.6
137.02448	3.6
137.06136	1.2
145.02965	7.5
146.03754	5.3
147.04530	12.9
149.02454	36.6
149.06085	14.3
150.03236	75.3
151.03638	2.5
152.83269	1.2
154.02722	1.8
160.05251	1.2
161.02484	3.1
161.06102	5.7
162.03236	2.2
163.04010	1.5
164.04791	8.5
165.05580	84.5
166.05991	2.3
173.00246	1.4
177.05571	2.3
179.07146	11.8
180.04303	4.2
195.06628	20.6
270.08609	1.4
271.90326	1.2
283.09970	1.4
299.13123	1.1
313.14908	1.3
315.12344	2.2
329.13922	4.6
331.15622	1.8
346.14212	6.0
347.15005	13.0
361.16580	57.8
362.17017	3.8
381.66437	1.2
415.17615	6.9
509.21808	100.0
510.22165	8.5
521.21765	7.9
539.22919	5.5
542.55988	1.2
557.23755	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	47.3
59.01137	0.8
59.01385	10.3
59.98517	0.5
61.98831	4.3
62.29179	0.6
69.03456	4.3
69.17295	2.2
69.17722	3.4
71.01394	4.3
71.05019	2.0
73.02953	3.6
81.03457	1.2
83.01400	1.2
83.05045	0.9
85.02951	1.0
85.06587	0.8
87.00876	1.3
87.47092	0.6
89.02441	1.1
91.58576	0.6
97.02950	0.7
99.04529	39.4
100.04890	1.0
101.02447	11.2
112.01663	0.6
113.02454	2.5
113.06080	1.7
123.04535	2.7
125.02458	18.8
134.63252	0.6
143.03546	1.3
161.04514	2.9
179.05658	0.6
181.12344	0.8
195.60120	0.5
203.05655	0.7
207.17696	0.7
251.16534	100.0
252.16870	5.6
263.07904	0.7
265.10956	0.6
265.17987	1.8
275.48334	0.6
293.17673	2.7
305.08847	2.8
323.09979	1.4
557.25995	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.7
59.01383	73.7
60.75470	0.6
61.98835	100.0
69.04340	3.4
69.04768	4.0
78.95915	0.8
105.59859	0.8
106.21770	0.8
129.79982	0.7
130.43941	0.8
159.66270	0.8
255.23358	1.4
258.45886	0.8
497.29037	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	1.2
59.02414	1.1
66.93858	1.3
69.13372	9.4
98.21802	2.9
110.60260	1.1
119.01092	1.5
169.11719	1.3
171.13931	26.8
240.04311	1.6
267.10745	1.3
268.03754	4.3
269.08209	3.1
281.08182	5.6
283.02338	1.4
293.08295	2.4
296.10532	2.4
297.07565	6.3
299.12601	1.8
309.07703	20.7
310.08261	3.1
311.12738	1.2
312.10083	2.3
323.09250	4.2
324.06555	2.6
324.10062	23.9
325.07178	10.0
325.10840	7.8
327.08853	1.4
327.12473	1.5
338.11496	1.9
339.08487	2.8
339.12384	29.9
340.09518	4.8
340.13101	2.6
354.14749	16.8
355.11884	35.6
355.15445	2.6
356.12317	3.8
369.13196	2.2
370.14218	12.3
385.16599	100.0
386.16937	6.5
467.31760	3.3
499.34265	10.5
507.30728	2.1
557.30206	56.0
558.30328	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3123
Annotation	Cucurbitacin B
Peak:m/z	Relative Intensity
59.01385	100.0
60.01719	0.8
61.98837	15.9
69.03465	1.8
69.13554	5.5
85.79485	0.6
97.02956	8.8
98.22604	0.7
107.94879	0.5
108.77013	0.5
126.03291	1.4
149.45654	0.6
399.25446	9.7
400.25952	0.7
497.29111	12.4
498.29636	1.0
557.31586	2.1
565.85583	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3127
Annotation	23,24-dihydrocucurbitacin E
Peak:m/z	Relative Intensity
54.36808	0.6
59.01384	100.0
60.01728	1.2
61.98834	4.8
62.51593	0.5
69.03992	2.0
69.04412	4.0
69.70024	0.5
85.17509	0.5
91.90756	0.6
93.27783	0.5
94.39065	0.5
94.43403	0.5
97.02957	0.7
98.21752	1.2
109.06595	0.6
169.71637	0.6
186.23750	0.6
213.07697	0.6
329.63931	0.6
443.51474	0.7
497.29117	6.0
514.29254	1.7
515.30402	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72641	8.2
57.05371	7.7
59.01383	61.1
61.98830	27.0
70.85859	15.4
86.76237	7.3
101.83272	8.2
209.14587	9.6
299.20135	12.4
373.45728	8.0
453.30032	46.5
497.29300	100.0
537.30408	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	71.2
60.01729	2.0
61.98832	100.0
66.31228	1.8
66.61998	1.7
69.21550	13.9
98.21764	3.3
99.04510	2.8
131.15633	1.7
421.18109	2.0
497.28745	5.2
555.77557	2.0
557.26685	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.9
61.98835	100.0
65.26302	0.3
71.30333	0.3
78.95931	0.8
103.90639	0.3
128.87912	0.3
142.75305	0.3
152.99667	0.4
159.84935	0.3
188.80801	0.3
255.23352	1.5
257.24081	0.5
314.80774	0.3
323.72363	0.3
480.31213	1.0
483.31787	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82261	9.8
56.86713	10.9
60.14180	11.3
67.65125	11.2
70.35059	33.2
76.76708	12.0
89.63985	9.8
97.02959	26.8
98.22404	15.6
129.68747	10.8
140.40654	11.6
183.86298	12.8
196.40033	11.9
279.45828	11.2
319.11945	12.9
340.13309	12.0
357.51773	12.8
366.99326	12.3
371.09863	11.2
371.14786	14.6
439.17810	13.7
457.18741	56.3
515.22876	100.0
558.20679	33.8
559.22076	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28422	13.6
52.63268	13.6
53.26789	10.6
54.86535	11.3
59.01376	27.3
61.98832	44.4
68.99050	100.0
77.48537	11.6
80.58932	12.1
89.49113	11.2
93.71683	13.0
98.21714	26.3
104.26689	13.9
115.99770	12.9
118.95365	11.7
369.78235	15.4
381.55328	13.1
475.45657	13.3
521.46912	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.4
61.98831	100.0
68.86858	0.4
69.03464	0.4
71.01392	0.7
71.57771	0.4
73.02964	0.6
73.86742	0.4
82.57357	0.4
87.00877	0.5
89.02472	1.1
95.13066	0.4
97.02975	1.0
98.21782	0.9
99.04494	0.5
101.02463	0.5
139.07701	1.9
145.81970	0.4
152.43831	0.4
161.84131	0.4
182.38957	0.5
209.11838	0.5
226.05527	0.4
370.53055	0.4
395.22653	0.5
493.26105	0.7
499.31027	0.9
501.30603	0.5
511.27283	0.7
512.27014	0.9
515.29565	1.0
526.27057	0.7
535.15686	0.5
559.25482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22459	0.5
54.65915	0.5
59.01380	3.7
60.01686	0.6
61.98833	100.0
66.17883	0.6
69.12999	1.3
69.13413	3.2
81.31857	0.6
99.04552	0.6
100.35824	0.6
148.69383	0.5
166.05281	0.5
186.78752	0.6
375.90540	0.5
498.28522	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.0
60.01707	0.9
61.98833	100.0
69.61416	1.6
69.61825	1.2
71.29871	0.5
76.46762	0.6
101.27554	0.5
103.27825	0.5
103.92146	0.5
109.14977	0.5
161.22221	0.5
319.34805	0.5
327.08386	0.7
329.18442	0.6
447.13522	1.3
480.28030	0.6
482.46716	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04964	0.8
51.26198	0.8
59.01381	12.4
61.98835	100.0
63.99263	1.1
69.03443	1.6
70.94391	1.4
79.26619	1.0
97.02956	5.8
97.60799	0.8
129.66914	0.8
201.10823	0.8
247.44965	1.0
273.62949	0.9
334.19812	1.0
341.57962	0.9
342.01868	0.9
386.08661	0.9
419.28665	0.9
515.29529	1.2
516.29968	1.2
558.31689	9.7
559.32733	6.5
570.26587	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33038	7.6
59.01391	9.5
61.98832	16.4
62.76576	7.1
63.85819	7.5
65.55296	8.7
72.99326	19.2
73.02921	15.3
90.23541	7.6
97.02981	19.9
98.22168	54.2
109.06618	9.6
110.09763	8.0
137.06108	14.0
139.09464	8.7
164.81609	7.2
175.66133	7.9
247.26115	8.8
290.23987	9.3
456.17834	10.1
512.27222	10.6
514.21936	13.1
527.19464	10.1
527.96136	10.9
558.20624	39.0
559.21893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64932	0.7
59.01385	15.8
61.98835	100.0
63.99257	1.1
70.34833	2.1
117.73657	0.8
137.87793	0.7
188.24104	0.9
202.85124	0.8
211.43831	0.8
282.61301	0.9
346.40662	0.7
470.09848	1.2
492.11084	0.9
503.96841	0.9
528.81677	0.9
559.32990	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98875	1.9
59.01385	9.6
61.98829	19.0
62.21610	1.8
69.02849	10.4
69.03268	8.0
69.03484	3.5
71.01370	4.8
73.02921	1.9
73.91010	1.8
76.39886	1.8
83.05045	7.5
85.02988	2.2
87.00893	2.7
91.61810	1.8
97.02960	4.9
99.04533	5.0
101.02452	4.6
109.06612	3.1
111.08173	21.5
113.02466	2.2
116.29268	1.9
125.02483	4.5
139.07654	80.6
140.07959	2.6
155.07133	4.7
161.04546	2.8
163.42044	1.9
186.82854	1.9
239.81915	1.8
270.01581	2.8
281.67401	1.8
313.24158	2.1
315.19803	2.5
347.46121	2.4
359.28052	7.3
360.28439	6.7
375.18079	8.4
447.63013	1.9
471.27570	7.4
498.31403	4.1
515.26477	100.0
516.26959	12.2
558.30664	3.1
559.14520	3.1
559.25256	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
65.20352	0.7
67.49918	0.8
69.13741	5.7
78.95905	3.7
96.71345	0.8
152.99648	1.4
161.52338	0.7
188.86403	0.8
211.68140	0.7
277.21860	1.4
279.22980	0.7
380.83957	0.7
558.27594	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10247	3.7
61.98838	100.0
75.00864	5.8
78.95914	4.3
93.57984	4.0
116.92863	4.7
149.64752	3.5
166.07776	3.5
323.02274	4.0
361.89923	3.9
587.55322	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11904	0.3
59.01376	0.4
61.98832	100.0
69.77618	0.9
78.95946	0.4
154.59090	0.4
162.03687	0.3
357.64645	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.9
61.98835	100.0
69.21935	0.7
71.31644	0.7
71.32057	1.1
75.00883	1.0
116.43159	1.0
159.58469	0.8
160.23491	0.7
296.98056	0.8
365.84753	0.9
516.58087	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73507	0.7
56.77310	0.7
59.01380	6.1
61.98833	100.0
65.63383	0.6
68.51601	0.6
69.06979	6.1
71.05038	0.6
75.00908	0.6
83.05023	0.8
87.00911	1.1
89.02446	0.7
97.28241	0.6
101.02464	1.0
105.14352	0.7
139.07664	1.7
161.04593	0.7
209.12006	1.2
231.13774	0.6
253.09540	0.7
299.01990	0.8
300.31171	0.6
305.17731	1.4
396.22232	0.8
482.20819	0.7
541.25928	0.7
559.15057	0.8
559.25836	1.8
581.86725	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
59.01384	5.0
61.98835	100.0
71.01376	1.5
71.32555	1.6
72.99308	1.0
73.02934	1.5
78.95901	2.4
85.06541	0.9
87.00912	1.3
89.02441	1.7
89.03922	0.8
101.02504	1.3
113.02459	1.2
117.05640	0.8
124.57109	0.8
125.02403	1.0
137.02521	0.9
149.02350	1.0
151.04085	1.0
152.99651	1.9
171.10280	1.5
172.10510	1.1
179.49399	0.9
211.13454	0.9
270.01923	1.2
317.58545	0.9
330.23581	1.1
556.54767	0.9
558.28400	5.6
559.15015	1.7
559.25488	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27054	4.7
59.01378	15.4
61.98837	100.0
62.71814	4.4
63.99246	12.9
65.01424	10.9
66.59316	4.7
69.11539	13.9
69.11958	34.1
71.01411	6.5
75.00864	6.7
81.96495	4.5
83.66981	5.2
86.21166	4.7
121.82985	5.0
127.91486	5.4
131.03470	5.2
157.92514	5.1
261.00760	5.2
311.32935	4.8
499.30713	7.8
511.26474	9.7
515.28821	8.6
523.23676	12.9
558.30994	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	10.9
59.01378	51.3
61.98833	100.0
69.02071	33.3
69.02495	85.4
69.45152	11.4
71.01391	21.9
72.99277	10.7
73.02946	13.3
74.60848	9.5
81.98125	9.5
83.05010	10.2
87.00890	24.4
89.02453	11.9
91.13151	11.3
98.22577	16.8
101.02467	21.9
107.05064	11.6
109.06605	13.1
111.04530	17.2
121.06600	16.1
125.02563	10.5
131.03513	24.3
137.06142	12.4
139.07629	23.1
161.04645	13.6
381.22815	35.5
396.24750	31.4
443.13031	12.3
513.26959	14.8
515.29846	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	21.8
61.98833	44.1
71.01389	12.1
83.05026	11.9
89.02443	6.3
97.02967	7.3
101.02448	7.0
111.04527	11.0
113.02478	14.3
124.01669	7.5
127.04041	7.5
131.03516	14.5
139.04057	9.9
139.07646	17.8
179.99162	6.5
251.41653	5.9
383.24344	14.1
393.20792	12.8
403.24774	11.0
409.20160	7.7
414.62283	7.1
471.31058	9.0
511.26740	17.7
512.27527	29.0
513.28589	11.0
515.30103	100.0
516.30524	11.7
523.23425	45.8
559.21198	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	6.1
59.01385	57.6
61.98833	85.2
69.40292	16.7
69.40698	35.6
71.01396	39.9
73.02940	10.9
83.05023	12.7
85.02940	18.1
87.00860	10.7
89.02448	10.7
97.03008	11.1
98.22489	14.1
99.04517	25.3
101.02465	36.8
111.08194	11.0
113.02457	18.8
125.09735	6.4
131.03514	44.7
139.07658	36.9
146.89427	6.9
161.04552	30.5
320.07962	6.7
321.79898	8.6
368.81357	7.9
383.24390	85.5
449.27103	18.5
471.31006	9.3
493.25912	20.4
494.26318	13.2
511.26855	16.6
512.27698	15.9
515.29767	100.0
516.30609	12.6
523.23218	45.4
558.28253	23.1
559.20526	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	10.7
61.98837	27.2
78.95915	3.9
101.02468	3.2
121.11037	2.5
128.59081	2.4
147.36823	2.6
253.09399	12.6
279.23303	100.0
280.23679	5.5
281.24796	14.6
282.25250	3.1
408.27316	2.5
433.09491	2.6
479.16028	2.8
506.32806	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49645	1.4
59.01377	3.8
59.55328	1.5
61.73130	1.5
61.98835	16.3
71.01373	1.7
77.21130	1.6
78.95902	5.4
82.96092	2.1
85.02945	2.2
87.00876	1.8
89.02435	2.6
91.48459	1.5
93.03439	2.4
98.22639	3.0
101.02451	2.5
111.24847	1.5
133.75218	1.6
161.04599	1.9
163.22612	1.9
169.91788	2.0
184.03839	1.6
191.05617	14.8
235.08162	2.0
253.09352	13.8
255.23351	2.7
256.88333	1.6
279.23309	100.0
280.23679	5.7
370.07556	1.7
558.29016	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.6
58.00600	2.1
59.01386	9.1
61.41129	1.7
61.98815	2.1
62.08609	1.5
65.98182	1.4
70.46659	5.0
71.01370	7.4
73.02940	4.9
77.18344	1.7
85.02951	5.1
87.04523	7.5
89.02419	5.2
95.01397	2.1
96.96030	2.9
101.02438	6.6
109.52608	1.5
113.02469	15.3
119.03498	3.2
130.27748	1.6
135.08183	2.6
137.09706	15.4
153.09227	12.0
155.10788	54.9
161.04532	4.9
169.12338	4.1
181.08678	5.4
197.08234	18.5
199.09773	100.0
200.10164	2.7
213.11296	2.9
241.10832	31.0
265.14526	3.0
271.11890	3.0
301.12881	10.2
305.14145	1.6
343.14105	6.7
359.13486	7.1
361.15060	43.3
362.15555	3.4
397.15085	10.7
403.15903	3.9
559.18622	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45086	0.6
59.01371	2.7
61.98805	0.8
69.16136	4.5
69.16544	1.2
71.01383	2.1
73.02945	1.4
89.02454	2.4
101.02458	1.0
111.04592	0.6
113.02439	1.7
119.03484	0.9
135.08197	0.7
137.09708	4.1
155.10791	55.3
156.11066	2.0
161.04643	1.0
170.40439	0.7
179.05612	1.1
181.08676	1.2
199.09764	100.0
200.10097	3.1
213.11382	0.8
222.82185	0.7
241.10869	2.8
278.35934	0.7
343.14114	1.4
343.18103	0.8
361.15063	31.7
362.15457	2.6
559.18085	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	67.2
61.98825	28.1
67.35783	11.5
69.50491	61.8
71.01387	53.8
72.99300	15.7
73.02971	16.1
87.39263	10.0
89.02463	79.0
90.15652	9.9
97.08839	12.9
101.02439	31.7
109.83520	11.9
113.02485	20.0
119.03510	23.1
121.02944	24.8
125.02451	30.2
137.06120	16.5
149.06197	12.4
163.06137	12.4
165.05510	17.7
179.05627	12.8
209.04539	13.8
255.03157	15.8
265.14227	14.0
277.10788	15.1
285.04028	12.6
327.33020	12.8
343.15469	18.6
361.16641	31.2
407.07782	36.0
523.21857	100.0
559.22638	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07570	9.3
53.23299	8.7
59.01389	23.0
59.07650	10.5
67.11950	8.2
69.24410	17.6
69.24806	54.7
71.01382	22.9
73.02927	10.0
78.95885	12.0
80.50478	8.8
85.02942	11.3
89.02464	12.6
94.98080	10.7
96.96024	27.3
96.96980	16.8
101.02428	10.9
109.03014	15.5
113.22706	9.0
121.02959	14.1
122.03703	21.0
125.02448	25.0
137.02473	15.8
150.03186	15.2
161.87619	9.1
165.05534	22.6
167.07155	100.0
179.07124	14.4
195.06625	22.0
210.34230	12.2
361.18585	16.4
523.21997	80.4
531.26019	11.5
559.21942	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22923	0.6
57.03439	1.4
59.01384	11.0
61.98831	5.3
67.04847	0.8
68.99548	0.7
69.03445	0.7
69.32187	0.5
69.32520	4.9
71.01381	6.1
71.05015	0.8
72.99293	1.2
73.02962	1.1
82.90046	0.6
83.01397	1.5
83.05005	1.4
85.02973	2.0
87.00878	2.4
89.02468	4.3
93.03477	1.1
97.02958	1.6
98.21764	1.1
99.04550	1.9
101.02429	2.7
101.06106	1.3
105.57226	0.7
107.05029	0.9
109.06584	0.9
110.85301	0.6
111.04537	0.7
111.08154	0.8
112.63876	0.6
113.02482	2.4
119.03562	1.2
121.02963	100.0
122.03294	2.4
123.08175	0.9
125.02424	2.4
127.04014	0.9
131.03526	1.7
135.03076	0.8
135.04541	0.8
139.07646	1.5
141.09232	3.3
145.05138	0.6
149.04604	1.6
150.03156	1.1
151.07649	0.7
161.04556	1.4
165.05544	0.9
191.05626	1.2
221.15327	0.9
235.01820	0.7
265.14423	2.3
305.13181	0.8
311.18945	0.7
326.17752	0.7
359.24295	1.2
361.25940	1.6
497.31516	0.8
515.32257	2.3
559.14471	1.7
559.25061	4.6
559.31598	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.1
61.98830	0.7
61.99170	0.5
63.96221	1.0
71.01387	5.8
71.30610	1.0
72.98602	0.5
73.02942	1.9
78.95908	1.5
78.98605	4.9
79.95744	9.3
80.96525	56.1
85.02969	2.7
87.00874	2.4
93.03483	0.6
94.98093	15.4
96.95988	1.4
97.02953	1.4
101.02448	3.6
106.98112	3.2
122.97604	4.3
125.02471	2.5
127.04028	1.1
134.97603	4.3
136.99153	1.0
148.99165	4.8
152.98625	7.1
152.99686	1.3
164.98636	10.5
182.99683	1.8
191.05643	0.6
206.99698	2.6
207.10341	0.7
209.11867	3.0
225.00758	18.0
241.01210	0.8
243.01863	1.7
299.04416	2.0
477.09869	0.6
527.18250	2.6
559.20673	100.0
560.21039	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.5
59.01390	32.9
61.98834	43.3
69.03462	9.8
69.35133	28.5
71.01400	14.1
72.08151	4.3
72.99312	7.5
73.02947	5.5
75.00872	8.9
79.05544	3.9
81.03438	3.7
83.01383	5.8
83.05038	8.5
85.02949	10.8
87.00877	10.6
87.21629	3.6
89.02449	5.8
94.49812	4.0
95.05032	6.8
97.02954	7.8
97.06593	5.0
98.21750	4.3
99.04527	5.7
101.02480	13.6
107.05056	4.4
111.00920	6.9
113.02441	23.9
123.08173	4.1
125.02454	6.2
131.03572	5.5
137.06116	4.6
139.07690	16.9
153.05577	5.4
155.07030	4.2
159.08195	7.0
161.04634	7.7
175.07649	7.6
307.20810	4.1
331.20483	7.9
339.00687	3.4
347.20370	6.6
349.21841	15.0
351.15967	7.6
381.22781	11.6
391.19193	5.5
393.20575	30.3
397.19931	4.9
409.20303	15.5
411.21719	12.7
458.59390	4.4
461.23575	8.0
479.24515	8.0
505.22400	15.1
513.27460	13.4
515.28979	5.1
516.29663	15.3
523.23370	100.0
524.23584	10.6
559.19995	38.8
559.29352	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.211
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80678	6.6
59.01386	92.7
61.69168	7.8
61.98840	100.0
63.19177	6.0
65.50468	6.7
69.03455	10.2
71.01401	7.8
71.31931	11.6
71.32303	8.4
77.66042	6.9
85.02924	6.5
87.00877	14.6
89.02430	8.4
99.04523	16.7
109.96120	7.3
137.02429	9.2
139.07655	30.0
200.36176	7.4
209.11839	9.5
270.97873	7.5
427.75818	7.5
439.24884	14.2
513.28210	11.8
523.23370	91.9
524.23871	8.8
527.27582	23.9
559.28748	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89142	0.7
55.10133	0.7
57.03435	2.0
59.01365	1.4
69.07119	5.1
69.07528	1.7
73.02956	7.3
93.03455	1.1
94.71509	0.7
95.05041	1.4
97.02971	2.4
98.22163	3.5
107.05038	2.2
109.02967	0.7
109.06584	4.0
111.00905	2.1
115.80400	0.8
121.02988	1.8
121.06618	1.0
123.04551	1.0
123.08170	1.0
135.04488	1.2
135.08136	0.8
137.06102	5.2
147.04533	0.7
147.08199	1.0
149.06039	1.7
151.07655	1.0
159.04518	1.2
161.09720	1.7
163.11259	2.6
175.04013	2.5
175.07628	1.1
176.04852	0.9
177.05568	1.0
177.09163	1.0
179.10915	0.7
189.05624	0.8
189.09244	1.5
191.10855	0.9
199.07674	1.1
203.07307	0.8
211.11205	1.0
215.07158	2.3
215.10692	1.1
225.05588	0.8
227.10870	0.7
229.08649	0.9
229.12184	0.9
233.08214	0.8
245.11848	1.3
253.08701	0.8
269.11832	1.6
273.11374	5.7
281.11963	1.0
285.12061	0.8
285.14957	3.0
327.12518	3.4
328.09708	0.8
337.14465	1.4
339.15936	1.3
347.14957	3.2
363.29443	0.7
365.13931	2.6
367.15488	1.0
377.17624	1.9
379.19098	1.1
383.14990	2.1
395.18478	1.4
401.15909	1.0
403.15625	1.0
417.03220	0.8
421.16415	2.0
423.17801	1.0
439.17575	3.0
441.19391	2.3
445.15247	1.5
465.15491	1.8
467.17084	0.9
469.22400	1.2
479.21078	1.6
497.22037	1.1
515.23206	1.1
541.20825	7.8
542.21136	1.6
559.21851	100.0
560.22302	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2186
Annotation	Lancifodilactone E
Peak:m/z	Relative Intensity
57.03463	3.8
59.01367	1.3
61.22552	0.7
66.10741	0.6
69.44243	1.7
69.44673	2.3
71.05019	1.2
73.02946	5.9
79.25793	0.5
83.05015	0.6
95.05064	1.0
95.27539	0.7
97.02961	1.5
97.27867	0.5
98.22254	1.7
101.02444	0.9
109.06595	1.9
121.06594	1.2
125.02444	1.1
135.04538	2.3
135.08174	0.8
137.06058	3.6
139.07684	0.9
149.06044	1.4
151.07640	1.6
159.08167	0.7
161.09787	1.2
163.11259	3.0
177.05525	0.8
177.09206	0.9
187.07663	0.8
189.09276	1.3
191.10745	1.0
201.09195	1.1
203.10869	0.8
207.10193	1.0
207.66408	0.7
215.07114	1.9
217.73837	0.7
219.10170	1.0
227.11031	0.7
229.08597	0.8
281.15503	1.2
309.14880	1.0
311.16577	1.1
321.14896	1.2
339.16010	2.7
365.13843	1.0
367.15414	3.6
379.19180	3.5
381.17218	0.7
397.20425	1.8
405.16794	0.8
423.18002	1.9
439.17670	1.1
441.19113	9.8
442.18961	0.8
455.20737	2.3
467.16479	1.1
497.21631	1.2
499.19586	1.9
515.22815	0.8
517.20886	2.4
528.83954	0.7
559.21875	100.0
560.22223	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
69.22834	3.0
69.23257	2.2
71.05025	0.9
73.02960	7.0
74.85223	0.8
90.82710	0.7
95.05039	1.0
106.96529	0.7
107.05073	0.8
109.06564	1.4
111.00888	2.2
121.02966	2.0
121.06619	0.9
127.62998	0.7
135.08162	0.9
137.06084	1.1
147.08223	0.9
149.06123	1.3
151.07642	1.4
152.66101	0.7
153.70842	0.8
161.06142	0.8
161.09683	0.8
163.11263	1.1
175.04042	1.5
176.04863	1.1
177.05560	1.3
189.09200	1.9
199.07779	1.0
201.09120	1.1
203.94281	0.7
213.05597	1.0
215.07198	1.2
215.10774	2.1
220.60904	0.7
227.62254	0.7
245.11928	1.1
269.11935	1.5
273.11325	7.2
285.14941	2.3
299.13034	1.2
307.13470	1.1
311.13113	0.9
323.12589	0.7
327.12292	4.3
337.14490	1.5
339.15967	1.4
347.14914	3.3
359.16806	0.9
365.13773	3.9
377.17389	1.4
383.15186	2.1
395.18723	2.0
403.15381	0.9
421.16739	1.5
439.17691	3.9
445.14987	2.5
457.18671	1.0
465.15616	2.2
469.22528	1.1
483.16525	0.9
530.46948	0.8
541.20868	9.9
542.21643	1.1
559.21881	100.0
560.22266	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2186
Annotation	Lancifodilactone E
Peak:m/z	Relative Intensity
57.03452	3.2
59.01386	1.9
69.18134	1.1
73.02956	7.2
76.91396	1.0
97.02979	1.3
98.22177	5.7
99.34258	1.1
101.20510	1.0
109.06593	4.4
121.06568	2.1
123.08134	2.0
125.02400	1.1
135.04535	2.1
137.06084	3.2
149.06105	2.8
151.07666	1.7
161.09755	2.4
163.11308	4.1
172.55011	1.0
175.07768	1.1
189.09201	1.6
199.07614	1.3
207.10252	2.3
215.07130	1.3
217.08743	1.2
259.13245	1.4
283.13361	1.3
307.13181	1.6
311.16495	1.6
321.15012	2.1
337.17963	1.1
339.15991	3.7
353.21268	1.5
367.15515	4.3
379.19217	4.4
381.16898	1.1
397.20328	1.5
423.18069	2.4
441.19199	13.7
455.20572	2.1
467.16840	2.5
497.22141	1.5
499.19662	1.6
517.20886	2.7
559.21869	100.0
560.22357	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43987	2.0
52.69534	2.4
57.03432	2.9
59.01373	4.7
61.45219	2.3
62.02024	2.2
67.01892	3.3
69.01269	11.2
69.01697	13.8
69.03452	5.5
72.99323	4.2
73.02958	3.8
79.05540	2.8
83.83514	2.3
87.00890	4.1
89.69890	2.7
93.03466	5.5
93.07105	3.6
95.05060	10.7
97.02969	23.3
99.04575	3.1
107.05068	5.7
109.02975	3.9
109.06615	10.9
121.02955	2.8
122.03773	12.5
123.04566	3.9
125.02480	3.0
135.04497	3.5
136.05357	2.5
137.06102	100.0
141.20348	2.4
153.05565	4.1
156.04436	3.0
159.04504	2.9
161.09697	6.6
162.34152	2.3
163.04002	2.7
163.11377	4.7
171.08098	3.6
173.09709	3.4
175.07664	6.3
177.09294	4.2
181.05153	3.4
182.62926	2.6
187.07817	2.9
189.09288	5.8
197.09712	3.0
199.07674	5.4
199.11293	2.9
203.07172	6.5
205.08740	2.4
215.07167	4.6
219.84673	2.4
229.08659	6.1
239.10750	3.7
241.08627	4.5
241.12402	3.3
243.10265	3.2
253.12177	3.6
267.13763	3.8
270.76266	2.5
283.13382	2.9
313.14575	3.2
331.31693	2.5
341.13913	7.0
359.15195	4.3
361.21918	4.1
377.21298	3.4
379.19220	3.3
381.16879	3.0
387.19629	3.5
403.14081	10.4
404.14865	5.0
405.16693	4.4
405.21265	4.9
421.14978	21.2
422.16083	3.0
423.18216	24.8
435.21539	4.0
439.18051	3.7
449.15915	14.1
449.20520	9.3
467.17014	27.3
479.20737	43.1
480.21078	3.6
485.22079	3.4
497.21796	43.7
498.22452	3.1
515.22748	9.6
523.19574	3.7
541.20886	12.5
559.21625	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.9
59.01380	4.1
59.35152	1.5
67.01881	3.8
69.03473	8.3
69.04651	1.6
69.05371	1.9
69.05725	17.3
72.99311	6.4
73.02956	5.8
81.03491	1.8
83.05036	3.8
87.00875	6.0
93.03458	4.2
93.07067	3.0
94.18986	1.5
95.05043	13.4
96.96010	4.1
97.02950	25.2
98.22015	8.4
107.05017	4.4
109.02953	2.2
109.06589	11.5
111.04557	2.1
113.38698	1.8
121.06606	3.4
122.03751	12.7
122.36229	1.8
123.04527	2.2
123.08187	2.1
125.06058	2.5
133.06636	2.6
135.04546	4.3
135.08197	3.7
137.06099	100.0
138.06464	2.4
138.36089	1.6
139.04019	1.8
147.08170	3.6
149.06128	1.6
151.07614	2.1
153.05568	5.0
159.04544	2.1
159.08179	2.8
161.06093	3.1
161.09723	4.0
163.07701	2.5
163.11272	3.9
165.05557	1.7
171.08188	3.5
172.05229	1.6
173.06142	3.9
173.09843	1.9
174.06836	1.9
175.07642	3.6
179.07175	2.2
181.05165	7.8
181.06497	2.3
183.08281	1.8
185.06094	1.7
187.07620	4.8
189.09224	2.8
191.10747	1.9
198.06856	1.8
199.07663	3.9
201.05641	2.3
201.09213	2.2
201.12476	1.6
203.07126	9.8
205.08704	1.9
211.11412	1.8
213.09192	2.5
215.07098	5.2
217.08583	2.2
223.11267	2.4
229.05122	2.0
229.08678	5.3
229.12375	2.2
239.10785	2.9
241.08690	2.5
241.12265	3.0
243.10309	1.9
257.11801	2.7
265.14444	5.1
267.13910	5.5
273.11261	3.3
281.12057	2.0
283.13486	2.6
285.14929	2.7
297.15002	2.0
297.83978	1.6
311.12964	4.0
313.14490	3.6
315.15900	2.4
341.13992	4.0
359.15021	5.9
361.18115	3.3
365.13980	5.7
377.17053	6.3
379.19492	2.4
381.16934	3.4
387.19730	4.6
403.13889	6.4
405.16986	6.2
405.21384	3.0
417.19443	2.0
421.15091	26.5
423.18118	20.7
435.22256	2.8
439.17642	21.9
440.18036	2.1
449.16031	12.7
453.23300	2.2
457.18729	3.6
461.19571	3.7
467.16373	12.1
479.20682	23.5
480.20932	2.0
497.21799	23.1
523.19794	3.7
541.20825	5.6
559.13800	2.6
559.21881	32.0
560.22168	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.3
59.01376	2.4
69.03454	5.8
70.80052	5.3
72.99316	98.1
73.50436	2.0
86.39339	1.9
89.20333	2.2
90.91267	2.3
93.03476	3.6
95.05037	7.0
97.02956	27.8
97.06597	3.5
107.05018	3.5
108.02129	2.3
109.06616	7.6
119.05029	3.8
121.06609	2.4
122.03798	11.0
123.04552	2.2
125.06135	2.6
128.19308	2.1
137.06100	100.0
138.06442	2.5
151.04077	2.8
153.05598	2.9
161.09738	3.3
163.11302	4.7
175.07608	2.2
177.09267	3.8
181.05101	6.4
185.05905	2.0
213.73969	2.1
239.09091	2.8
241.08580	3.7
259.09955	1.9
267.13885	3.6
311.12933	5.1
323.16635	2.3
329.13895	14.0
330.14810	2.5
347.15225	2.5
351.16251	2.4
359.15091	3.3
369.16895	5.0
377.16342	5.6
403.14096	3.8
404.14862	2.9
405.21011	3.7
421.15179	21.8
421.20279	4.4
423.21780	4.3
439.21426	2.7
449.19751	18.9
461.19290	2.4
467.20825	81.8
468.21170	8.4
479.20761	7.7
497.21890	3.3
523.19989	2.7
541.20807	8.2
559.21564	14.9
560.22742	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2192
Annotation	Lancifodilactone E
Peak:m/z	Relative Intensity
57.03454	4.9
59.01383	5.5
69.03468	3.3
70.64542	4.6
70.64883	3.5
71.01347	3.8
72.98915	4.3
72.99316	68.8
73.02944	5.8
79.05525	3.1
81.03468	2.5
85.02963	4.2
93.07101	3.9
95.05042	4.2
97.02971	10.8
97.06595	2.3
99.00909	2.5
106.04244	10.2
107.05050	3.4
109.02991	3.1
109.06584	16.2
111.00875	4.4
111.04510	4.0
115.04029	3.7
121.02969	4.1
121.06622	4.5
122.03724	3.2
123.04537	5.4
123.08220	4.3
124.30014	2.3
125.02416	2.3
125.06120	2.6
125.09676	3.8
125.87334	2.9
135.04549	3.8
135.08203	2.6
137.02425	2.8
137.06119	16.0
147.08131	2.3
149.06116	2.3
149.09712	3.8
151.07559	2.3
161.09666	2.2
163.07681	7.8
163.11296	5.6
165.05562	2.6
165.09334	2.0
173.06140	2.2
175.07617	3.4
175.11298	20.0
180.08131	2.1
181.12411	3.3
189.09232	5.1
191.10764	5.4
199.07712	2.4
207.10315	4.0
209.11952	5.9
217.12363	7.7
219.10262	7.0
224.16579	2.3
225.11377	5.4
227.10730	2.7
245.11864	3.4
257.15582	2.5
279.12360	2.4
319.13287	2.4
333.13416	5.5
345.13867	3.8
367.22964	3.0
391.22766	3.8
419.07892	4.1
431.18826	5.6
435.21774	7.1
437.19946	2.7
449.19745	28.2
450.20145	4.1
453.22977	8.0
455.20889	4.6
461.19623	3.0
469.22479	2.4
479.20816	3.6
487.94101	2.7
497.21930	28.3
498.22009	4.3
515.22986	11.7
523.19519	31.0
527.29016	6.8
541.20825	24.5
542.20691	2.7
559.21887	100.0
560.22388	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28236	0.6
57.03444	2.7
59.01376	3.9
61.98834	3.7
66.21816	0.7
71.01375	5.5
72.99297	1.3
73.02943	3.5
75.00875	1.7
85.02963	3.0
87.00879	4.1
88.58376	0.6
89.02461	6.3
95.05026	0.8
97.02929	0.9
101.02456	1.5
109.06620	3.6
113.02460	1.2
121.02981	0.8
121.06602	2.8
123.00846	0.9
123.08147	1.6
125.02451	1.8
131.03456	0.8
134.03690	0.8
135.04550	1.2
137.06081	2.6
139.07620	0.9
149.04527	0.7
149.06020	1.5
151.07661	1.4
159.04497	0.8
161.06039	0.9
161.09761	0.7
163.07655	0.7
172.05289	0.8
173.06137	1.0
175.07603	0.7
177.05553	0.8
177.09166	1.3
179.10855	1.4
187.07619	0.8
189.09157	1.2
191.05600	1.6
201.09364	1.0
213.66776	0.6
215.07059	3.4
216.07854	1.6
217.08737	1.3
218.41026	0.7
229.52905	0.9
240.07932	0.7
241.05029	2.5
242.05730	0.8
243.10252	0.8
255.10266	1.6
257.11682	0.8
259.13287	0.9
265.11993	0.7
279.13922	0.8
281.15314	0.8
295.13348	0.7
307.13385	0.8
309.14987	0.8
311.16461	0.7
322.73593	0.7
323.16605	1.1
325.14337	1.0
337.14346	0.9
339.16046	2.2
349.14478	1.3
355.15442	1.6
367.15369	1.2
377.13644	1.1
393.12976	1.0
395.14313	0.9
395.18631	2.3
407.18628	1.0
413.20117	0.8
421.16620	3.4
433.32822	0.9
435.21841	1.5
457.18732	12.7
458.19214	0.9
483.16638	3.6
497.22028	0.9
499.19598	2.2
499.30798	1.8
515.22565	0.9
517.20874	2.3
559.21857	100.0
560.22180	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2191
Annotation	Lancifodilactone E
Peak:m/z	Relative Intensity
51.28236	0.6
57.03444	2.7
59.01376	3.9
61.98834	3.7
66.21816	0.7
71.01375	5.5
72.99297	1.3
73.02943	3.5
75.00875	1.7
85.02963	3.0
87.00879	4.1
88.58376	0.6
89.02461	6.3
95.05026	0.8
97.02929	0.9
101.02456	1.5
109.06620	3.6
113.02460	1.2
121.02981	0.8
121.06602	2.8
123.00846	0.9
123.08147	1.6
125.02451	1.8
131.03456	0.8
134.03690	0.8
135.04550	1.2
137.06081	2.6
139.07620	0.9
149.04527	0.7
149.06020	1.5
151.07661	1.4
159.04497	0.8
161.06039	0.9
161.09761	0.7
163.07655	0.7
172.05289	0.8
173.06137	1.0
175.07603	0.7
177.05553	0.8
177.09166	1.3
179.10855	1.4
187.07619	0.8
189.09157	1.2
191.05600	1.6
201.09364	1.0
213.66776	0.6
215.07059	3.4
216.07854	1.6
217.08737	1.3
218.41026	0.7
229.52905	0.9
240.07932	0.7
241.05029	2.5
242.05730	0.8
243.10252	0.8
255.10266	1.6
257.11682	0.8
259.13287	0.9
265.11993	0.7
279.13922	0.8
281.15314	0.8
295.13348	0.7
307.13385	0.8
309.14987	0.8
311.16461	0.7
322.73593	0.7
323.16605	1.1
325.14337	1.0
337.14346	0.9
339.16046	2.2
349.14478	1.3
355.15442	1.6
367.15369	1.2
377.13644	1.1
393.12976	1.0
395.14313	0.9
395.18631	2.3
407.18628	1.0
413.20117	0.8
421.16620	3.4
433.32822	0.9
435.21841	1.5
457.18732	12.7
458.19214	0.9
483.16638	3.6
497.22028	0.9
499.19598	2.2
499.30798	1.8
515.22565	0.9
517.20874	2.3
559.21857	100.0
560.22180	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2192
Annotation	Lancifodilactone E
Peak:m/z	Relative Intensity
52.69008	0.9
55.22293	0.9
57.03433	3.0
58.50169	0.7
59.01381	5.8
61.98838	9.9
62.68507	0.7
66.22467	0.8
69.03473	0.9
69.06528	0.9
69.06827	8.0
71.01385	4.9
71.05025	1.1
72.99297	3.8
73.02953	10.4
75.00895	1.1
83.05040	1.3
85.02947	2.8
87.00882	1.2
89.02445	1.8
95.05019	1.5
97.02960	4.0
97.06584	1.6
98.21803	2.0
98.22454	2.2
99.04520	2.6
101.02422	3.4
104.62094	0.8
107.05035	1.4
109.02946	1.3
109.06593	2.4
111.04504	0.9
113.02451	2.1
119.03545	0.9
121.06593	2.5
121.48093	0.8
123.04504	1.7
123.08166	1.3
125.02428	2.3
125.06052	1.0
131.03516	2.0
137.06078	4.3
149.06128	2.2
153.52521	0.8
159.08263	1.3
161.04552	1.7
161.05940	0.8
161.09724	3.3
173.06071	1.6
175.07553	1.0
177.09250	3.0
189.09239	1.6
191.05576	1.6
191.10873	1.0
199.07645	1.3
201.09114	1.1
207.10143	1.4
209.11862	1.4
211.41917	0.9
215.07144	5.4
215.10757	1.0
216.07800	1.5
217.08641	3.1
241.05168	3.9
242.05701	1.1
243.06607	1.4
255.10318	4.5
283.09561	0.9
337.14539	1.7
365.13904	1.4
377.17419	2.6
381.22824	6.5
383.15036	2.8
384.24811	1.7
395.18588	3.5
413.19568	1.2
417.20203	1.1
421.16498	3.0
423.18112	1.1
423.23798	2.0
435.21704	2.4
439.17746	2.8
457.18564	11.4
458.18982	1.3
459.19977	1.0
483.16364	6.1
497.21716	3.3
503.26538	3.1
513.27759	6.0
515.22723	2.3
559.21820	100.0
560.22168	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.219
Annotation	Lancifodilactone E
Peak:m/z	Relative Intensity
57.03460	9.7
59.01140	1.0
59.01382	11.5
61.98820	4.9
69.03452	11.8
69.61704	5.9
71.01392	10.3
73.02946	7.8
74.48908	1.0
78.95843	1.2
83.05009	2.1
85.02947	5.0
87.00875	4.0
87.04567	1.1
87.53374	0.9
89.00903	1.1
89.02447	4.1
93.03439	1.7
95.01376	1.1
95.05048	2.7
95.08224	1.0
95.38185	1.0
97.02960	30.6
98.22448	1.2
101.02443	2.9
107.05007	1.8
109.02921	1.6
109.06573	4.2
109.17712	1.2
111.04513	1.3
121.02956	1.5
121.06595	4.3
122.03766	1.7
123.04602	1.2
123.08173	3.2
125.02435	2.6
131.03470	2.0
133.06598	1.3
135.04523	2.2
135.08160	1.9
137.06087	17.9
140.05630	1.1
147.08131	1.4
149.06085	3.7
151.04079	1.0
151.07674	2.1
151.76335	1.1
161.09763	1.5
163.07683	1.2
163.11383	0.9
173.06145	1.3
177.09158	1.9
187.07680	1.7
189.09210	1.9
203.10857	1.6
209.11824	3.4
210.12227	2.5
213.09264	1.8
215.07124	3.5
241.04994	1.2
255.10304	2.1
281.15491	1.6
311.16589	1.6
311.20093	1.3
319.13049	1.1
323.16409	1.3
334.62750	1.1
337.14380	1.4
339.15948	1.8
339.19650	3.2
349.14465	1.5
357.20761	2.1
367.15610	3.4
381.22888	2.1
393.13385	2.1
395.18689	1.2
401.19586	3.6
417.22940	4.5
419.21127	3.6
421.16635	3.0
437.23355	2.2
446.75598	1.2
457.18768	10.0
461.21692	18.3
462.22113	1.2
481.22351	5.0
483.16620	3.3
488.00534	1.3
497.25778	5.5
499.23917	8.4
517.20984	1.8
525.20190	1.2
541.24774	6.3
559.21869	100.0
560.22333	10.6
564.83026	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	60.4
69.00477	12.3
69.00874	54.0
71.01386	59.0
72.99330	6.2
83.01411	8.3
85.02950	32.7
89.02457	45.2
98.22540	12.3
99.00935	8.3
99.23170	6.5
101.02447	20.1
113.02476	39.0
113.84413	5.2
119.05068	14.8
131.03535	19.8
135.04530	5.8
136.04077	15.0
144.16792	5.1
145.66144	6.0
149.04547	12.8
163.04008	22.2
173.04550	9.0
174.37811	5.6
179.03499	7.1
191.05554	7.3
215.05586	7.6
232.37285	5.7
235.11913	12.6
349.14929	7.0
408.96793	6.2
474.49274	5.8
499.20358	100.0
500.20773	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2387
Annotation	Cichorioside L
Peak:m/z	Relative Intensity
55.47630	0.8
57.03436	1.4
58.91201	0.8
59.01395	7.9
61.98831	11.0
64.08942	1.1
66.86903	0.9
69.03446	1.0
71.01384	7.3
72.99312	2.3
73.02943	2.1
78.95918	2.4
79.05551	0.9
83.05040	1.7
85.02966	2.8
87.00896	2.6
89.02457	5.2
95.05089	1.6
96.96034	7.9
96.96992	4.3
97.02956	2.2
98.21798	3.4
99.00913	1.2
99.04535	13.5
101.02445	2.6
107.05057	1.3
109.06599	1.9
111.04541	1.1
113.02475	2.9
119.03567	1.2
123.04520	1.3
125.02422	1.8
131.03513	1.8
135.08183	1.2
137.06140	1.3
137.09689	1.1
139.07658	4.9
149.04555	1.1
153.42075	0.9
155.10791	2.4
167.07207	1.1
191.05727	1.5
199.09732	2.9
203.14383	6.2
221.13281	1.9
221.15463	33.2
222.15883	3.2
242.02263	1.7
245.00928	1.2
247.13342	1.7
265.14462	100.0
266.14871	5.7
270.01532	1.4
290.91394	1.1
515.26617	2.2
559.14288	2.2
559.25189	11.1
559.32941	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
56.03853	1.0
57.03454	14.0
59.01385	17.4
59.85555	1.1
61.98836	6.7
67.01866	2.1
68.78312	1.2
69.03458	22.1
71.01389	15.1
71.31389	1.2
72.99301	1.6
73.02955	6.9
75.00864	1.4
80.73763	1.0
81.03441	1.4
83.01392	2.1
83.05030	2.8
84.86740	1.1
85.02966	7.1
87.00871	3.9
89.02443	4.5
93.03438	3.4
93.07082	2.9
95.05041	5.0
97.02958	68.7
97.06576	1.6
101.02424	3.3
103.65848	1.1
107.05048	2.8
109.02956	3.0
109.06583	4.9
111.04523	1.9
111.08159	1.6
113.02428	2.2
119.08731	1.2
121.06582	5.3
122.03745	4.0
123.04557	1.6
123.08154	4.9
125.02444	2.2
125.09688	1.5
131.03452	2.0
133.06635	1.7
134.03738	1.1
135.04555	2.4
135.08122	1.4
137.06097	33.2
138.06474	1.4
139.07654	4.1
141.09222	1.3
147.08043	1.1
149.06102	6.7
151.03987	2.8
151.07625	4.2
159.08208	2.0
161.04625	2.0
161.06059	1.9
161.09624	1.7
163.07664	1.9
166.88753	1.2
171.08186	1.9
175.07587	2.7
177.09171	1.7
179.07135	1.8
179.10815	1.5
180.51506	1.0
185.09753	1.4
187.07658	1.9
189.09195	2.9
189.12965	1.5
191.05560	2.5
197.11899	1.8
201.09154	1.6
203.10759	2.5
203.14407	1.1
205.08711	1.5
209.11795	7.4
210.12163	3.2
215.07135	2.1
215.10829	1.2
255.10242	2.1
255.17438	1.1
267.13657	1.1
273.18607	1.7
275.20114	3.0
281.15430	1.3
283.20868	1.2
299.16614	2.6
311.16769	1.7
311.20074	2.2
313.21954	1.4
325.14755	1.5
339.15979	1.8
339.19565	7.3
343.15536	1.3
355.22751	3.4
357.20844	5.7
367.15607	2.2
381.22852	4.5
393.13489	2.4
393.24411	2.1
395.18826	1.7
401.19601	9.0
417.22821	14.0
418.22974	1.2
419.21014	9.2
421.16479	2.8
437.23395	6.6
443.20520	2.0
455.24826	1.5
457.18719	8.3
458.19104	1.7
461.21796	43.1
462.22110	4.0
481.22461	10.0
483.16461	3.7
497.25513	11.6
498.25778	1.3
499.23593	16.9
499.30536	1.4
500.16406	1.3
500.23740	3.4
513.26984	3.0
517.20605	1.6
541.24463	15.0
542.24567	1.5
559.21796	100.0
560.22229	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.6
61.98831	8.6
69.03460	5.4
69.03886	2.8
72.69246	1.1
78.95903	6.0
79.25400	0.9
103.96256	0.8
112.85091	0.8
152.99597	3.7
168.04375	1.5
180.42566	0.9
242.08044	4.2
275.20157	1.2
277.21732	100.0
278.22073	6.6
340.87363	1.0
422.29773	1.0
499.30914	1.2
502.29477	28.4
503.30167	2.3
505.71103	1.0
559.32239	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.0
61.98835	34.7
70.47774	1.1
73.02943	2.4
78.95914	27.3
117.33441	1.2
121.02982	3.1
123.84761	1.0
132.72745	1.2
152.99570	7.4
168.04324	3.9
170.64299	1.1
178.98871	1.7
224.06938	9.5
226.08746	1.0
232.94348	1.1
242.07988	1.6
259.35516	1.4
277.21750	100.0
278.18066	1.1
278.22098	7.4
437.30554	1.5
502.29465	71.8
503.29868	5.6
559.32562	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3279
Annotation	Cucurbitacin Q
Peak:m/z	Relative Intensity
59.01384	100.0
61.98827	20.6
62.53817	2.4
70.81335	3.9
72.79642	2.5
76.72755	2.5
84.98325	2.2
93.68924	2.1
96.29740	2.0
96.44998	2.1
106.28065	2.1
111.04509	2.6
161.10373	2.0
189.89223	2.3
191.77478	2.2
275.75717	2.1
387.25455	2.2
395.66800	2.4
406.91455	2.6
496.73590	2.6
499.30722	28.0
517.31720	8.3
548.60229	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3279
Annotation	23,24-Dihydrocucurbitacin B
Peak:m/z	Relative Intensity
57.03376	0.8
59.01295	12.4
59.01627	2.0
61.33422	0.6
61.98745	18.6
61.99104	2.8
69.38377	1.4
69.38802	2.0
80.00578	0.5
87.00816	1.0
89.38447	0.5
100.98453	0.6
101.59728	0.6
105.55602	0.6
111.04443	1.3
127.04907	0.5
130.07616	0.5
219.66414	0.6
397.27942	0.9
441.26566	0.6
499.30701	100.0
500.30972	11.1
517.31757	37.9
518.32037	4.9
559.32837	26.1
560.33160	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3279
Annotation	Cucurbitacin Q
Peak:m/z	Relative Intensity
59.01382	100.0
60.01698	0.6
61.98832	2.0
69.93747	1.8
87.42287	0.4
96.04223	0.4
121.02990	1.1
185.04733	0.5
196.42935	0.4
240.40843	0.5
325.03003	0.5
499.30542	2.3
537.08014	0.5
559.33136	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3285
Annotation	Montanin
Peak:m/z	Relative Intensity
51.13547	0.4
57.26203	0.5
59.01383	13.5
61.98833	26.3
70.86286	0.6
71.29142	0.4
99.04527	8.8
104.59025	0.5
134.18158	0.5
140.30309	0.5
213.42233	0.4
215.90527	0.4
267.17514	1.4
277.21832	2.7
337.25385	1.1
353.28665	1.5
373.27271	0.9
377.28549	1.5
387.85620	0.5
411.32584	1.8
421.27588	4.6
426.54364	0.5
437.30606	35.0
438.30939	3.9
455.31699	5.6
463.28751	0.7
469.47510	0.5
481.29651	0.8
497.32758	13.8
497.84512	0.5
498.33011	1.9
499.30533	1.8
502.30206	0.7
506.23752	0.5
515.33661	3.1
541.31818	0.7
559.32764	100.0
560.33063	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3281
Annotation	Cucurbitacin Q
Peak:m/z	Relative Intensity
57.03433	4.3
59.01385	100.0
61.28326	3.5
61.98833	91.8
69.08315	33.0
70.71537	3.5
72.99286	4.5
75.00898	5.2
96.96002	4.7
97.02974	8.5
98.21821	8.3
99.04517	43.0
102.46697	3.3
109.06594	6.7
111.04529	12.2
139.07664	5.9
158.68855	3.9
323.22415	17.6
401.57440	3.7
437.30701	7.0
455.31448	6.4
456.16190	4.0
469.67853	3.7
472.14874	3.6
499.30798	81.8
500.31177	13.0
513.28442	4.9
517.31842	22.2
559.32520	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18924	5.7
59.01366	7.9
61.88304	6.6
70.84232	9.1
70.84555	10.0
83.38039	6.1
83.39848	6.2
89.02443	12.3
89.81705	6.3
92.05059	50.8
96.95967	8.9
119.05042	35.0
125.02449	7.7
136.04056	100.0
137.02432	8.8
148.99191	6.1
163.04019	64.4
183.45547	6.8
191.05693	8.8
289.07266	12.0
337.09259	17.5
500.20294	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26989	2.2
57.03444	7.0
59.01383	73.0
61.98829	6.7
71.01385	53.3
71.31077	2.5
71.31474	3.1
72.99290	2.6
73.02958	7.8
76.26112	2.0
77.72337	2.0
77.75835	2.4
79.95760	3.2
80.96524	8.0
83.01405	4.6
85.02946	14.5
85.52113	2.0
87.00890	7.5
89.02451	89.9
96.96021	76.7
96.96940	2.7
97.02980	2.5
99.00897	6.8
99.04530	8.5
101.02450	47.2
107.82240	2.4
113.02439	11.5
119.03500	8.6
125.02459	9.8
129.01924	3.7
131.03508	80.2
149.04559	100.0
150.04901	3.3
161.04556	3.4
173.04550	4.1
179.05658	3.1
187.11334	7.7
191.05627	75.8
205.12350	8.7
221.06728	7.2
251.07808	8.5
311.09866	5.4
320.21341	2.9
361.18674	13.9
362.19080	15.7
385.18756	6.2
399.00455	3.2
463.08865	2.9
517.23010	20.1
517.29803	3.5
560.21155	19.7
561.20514	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26989	2.2
57.03444	7.0
59.01383	73.0
61.98829	6.7
71.01385	53.3
71.31077	2.5
71.31474	3.1
72.99290	2.6
73.02958	7.8
76.26112	2.0
77.72337	2.0
77.75835	2.4
79.95760	3.2
80.96524	8.0
83.01405	4.6
85.02946	14.5
85.52113	2.0
87.00890	7.5
89.02451	89.9
96.96021	76.7
96.96940	2.7
97.02980	2.5
99.00897	6.8
99.04530	8.5
101.02450	47.2
107.82240	2.4
113.02439	11.5
119.03500	8.6
125.02459	9.8
129.01924	3.7
131.03508	80.2
149.04559	100.0
150.04901	3.3
161.04556	3.4
173.04550	4.1
179.05658	3.1
187.11334	7.7
191.05627	75.8
205.12350	8.7
221.06728	7.2
251.07808	8.5
311.09866	5.4
320.21341	2.9
361.18674	13.9
362.19080	15.7
385.18756	6.2
399.00455	3.2
463.08865	2.9
517.23010	20.1
517.29803	3.5
560.21155	19.7
561.20514	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07574	0.4
58.30362	0.4
59.01388	0.6
61.98835	100.0
65.65406	0.4
69.44146	2.2
75.00877	0.5
81.39463	0.4
98.22495	0.7
111.60323	0.5
155.00360	0.4
180.60738	0.4
244.63408	0.4
318.74829	0.4
385.27704	0.5
479.09387	0.4
560.26318	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.1
61.98834	100.0
78.95888	1.3
104.01825	1.4
166.97343	1.6
182.88205	1.3
428.70206	1.5
446.00909	1.4
513.28455	2.2
514.28625	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
74.74702	1.0
85.12489	1.2
108.06046	0.9
145.74043	1.1
275.57367	1.1
291.94016	1.1
390.06168	1.2
402.58572	1.3
420.32898	1.2
459.37946	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57125	2.8
59.01376	15.1
61.95818	2.5
61.98837	100.0
65.38046	2.7
68.30611	3.0
70.93129	6.0
149.61861	3.0
150.62961	3.1
167.19894	2.8
177.05084	3.3
199.80893	3.3
253.97934	3.1
256.08038	3.5
346.08783	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13859	1.4
58.29108	1.2
59.01367	2.6
61.29042	1.4
61.98835	100.0
63.30520	1.2
69.03697	11.5
75.60345	1.1
89.04596	1.3
99.04516	2.1
141.86520	1.6
412.32370	1.2
422.27612	1.4
438.31171	8.0
456.31909	1.6
498.33167	3.5
500.57135	1.3
536.33691	1.3
560.24579	1.4
560.33160	22.9
561.33081	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78560	1.1
59.01389	11.5
61.98833	100.0
63.90503	1.3
69.03306	10.6
90.56534	1.3
100.60061	1.2
307.08884	1.3
431.60803	1.2
561.34436	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57306	0.9
59.01374	1.1
61.98834	100.0
69.05017	3.3
69.05441	4.7
84.09342	0.9
85.09761	0.9
98.22521	2.4
98.45654	0.9
236.86617	1.3
463.14810	1.3
495.12479	1.1
573.32697	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82343	1.9
61.98835	100.0
65.01447	8.4
71.30190	2.1
71.75825	1.6
75.53654	1.9
84.22885	1.6
90.78162	1.7
95.00620	1.8
221.53960	1.8
288.74115	2.2
300.00531	1.9
462.85965	1.8
488.43372	1.8
580.70538	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.8
57.50048	0.7
59.01382	6.1
67.01888	0.9
71.01375	3.0
71.30544	0.8
72.99308	0.9
73.02937	1.4
76.25461	0.7
78.95905	2.9
81.22576	0.8
83.01399	0.9
83.05019	1.3
84.32713	0.8
85.02959	11.0
87.00884	3.8
89.02447	2.2
93.03465	7.5
94.98640	0.7
96.96024	7.3
96.96976	6.1
101.02479	2.1
109.02972	5.7
111.00909	1.0
111.04545	2.0
113.02448	1.6
119.03552	0.9
121.02946	5.0
121.30997	0.7
123.04520	1.3
125.02437	2.6
127.04029	2.8
131.03532	1.2
131.07141	1.5
131.85690	0.7
133.02962	3.6
134.03706	1.1
137.02460	3.1
143.07123	1.6
147.00914	1.0
149.02458	7.6
149.04544	1.6
151.00420	0.8
151.04034	6.9
155.03537	0.9
161.02461	3.4
163.00351	2.6
164.01163	1.6
165.01926	1.4
172.01616	0.8
173.04471	3.8
177.01927	4.9
185.06224	0.9
191.05634	71.5
192.05981	2.6
193.01427	5.4
193.05058	10.4
193.52821	0.8
200.01138	1.0
201.01979	4.7
201.11296	1.0
203.03537	1.5
209.06071	1.5
211.03993	1.5
212.04846	0.9
213.05666	0.9
217.01572	3.9
217.05066	1.7
224.04794	0.8
225.05742	0.9
228.00488	0.7
237.05559	3.0
239.03474	1.2
241.04904	1.4
243.02985	1.8
244.00098	3.5
245.04488	1.0
251.03418	1.3
253.05104	1.6
259.02505	4.6
263.03574	0.8
264.04379	1.0
265.05054	4.2
266.05841	1.0
267.15897	1.1
280.04071	0.9
281.04639	3.6
292.03629	1.3
293.04449	5.1
295.02481	0.8
297.07803	1.0
309.04156	7.9
310.04874	1.0
325.07220	2.0
337.03571	12.6
338.04062	1.1
367.06717	5.4
369.06183	100.0
370.06619	5.4
387.20163	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.2
61.98813	0.6
63.02394	0.4
65.00330	0.3
71.01391	2.0
71.13622	0.3
85.02940	0.4
88.12391	0.2
89.02438	1.7
93.03465	1.7
95.85213	0.3
98.03545	0.3
98.14976	0.2
99.04538	0.3
99.05222	0.3
101.02441	0.6
107.01387	1.4
109.02934	0.8
113.02418	0.4
117.03474	0.2
123.00897	0.3
125.02421	0.3
128.82376	0.3
131.05023	0.3
135.00870	1.0
136.14861	0.3
143.05006	0.8
151.00372	1.1
157.06630	0.4
159.04507	1.2
163.00369	2.0
167.05022	0.3
169.06593	0.7
171.04469	0.7
171.10406	0.3
173.04630	0.5
173.06065	0.3
174.03192	0.3
178.99860	0.5
183.04631	0.9
185.06096	1.7
187.04027	2.2
189.05447	0.6
191.05605	0.3
195.04559	0.6
197.06058	0.8
199.03978	0.8
201.05548	0.5
207.67453	0.3
211.04018	1.8
212.04567	0.3
213.05586	1.1
215.03317	0.3
223.03961	0.3
227.03519	18.0
228.03879	0.9
229.05072	8.3
230.05376	0.5
239.03499	1.1
240.04326	0.4
241.05075	1.1
243.03015	0.4
245.08138	0.3
255.03006	22.2
256.03696	3.1
257.04581	5.0
257.07065	0.2
267.02997	0.8
267.15952	0.4
284.03299	23.0
285.04068	100.0
286.04416	5.6
370.72678	0.3
469.29117	0.3
509.84274	0.3
561.12433	6.0
561.27350	0.8
562.12561	0.7
564.97046	0.3
578.68658	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1405
Annotation	3,5,7,4'-Tetrahydroxyflavan-(4-O-4)-3,5,7,4'-tetrahydroxyflavan
Peak:m/z	Relative Intensity
57.03452	6.4
59.01387	4.7
69.03428	1.4
69.03879	1.6
69.04280	8.9
71.01357	2.4
81.03440	2.6
83.01390	4.0
85.02966	2.4
89.02454	4.7
93.03450	4.7
94.33486	1.0
95.05008	3.7
96.96019	1.8
97.02946	7.4
98.21804	2.2
101.02438	1.4
109.02956	22.0
110.03383	1.0
113.02454	1.2
113.96131	1.1
121.02971	7.9
122.03745	2.0
123.04533	17.7
125.02457	36.9
127.51598	0.8
131.03535	1.3
131.05093	0.8
133.02942	2.8
134.03751	2.7
135.04500	3.3
137.02466	20.8
138.03162	1.0
139.04007	5.3
145.02956	1.2
146.03737	1.9
147.04594	1.2
149.02451	6.6
149.06036	1.3
150.03253	2.2
151.04030	9.8
159.04530	2.6
160.05266	1.6
161.02502	4.6
161.06078	5.4
162.03218	2.1
163.00374	3.0
163.03970	2.7
164.01187	13.8
165.01942	7.0
165.05551	1.4
167.03545	5.8
169.07217	0.9
173.04520	3.5
173.05899	1.2
175.04007	4.1
175.07573	2.1
177.01906	5.3
179.03560	6.0
185.06052	1.2
187.03966	5.6
188.04810	4.3
189.05589	1.7
191.05615	3.5
193.05011	1.8
195.06590	1.5
202.06456	2.2
203.07143	13.5
205.01537	4.6
205.03381	0.9
205.05061	7.3
213.05516	1.3
217.08534	1.3
221.08150	2.5
227.07130	2.9
229.05028	2.2
230.05974	1.2
231.02979	1.3
245.08177	16.2
246.08598	1.0
247.06113	1.7
253.05040	1.9
255.02954	1.4
256.03720	1.8
269.08295	1.4
271.06104	13.5
273.07651	6.1
281.87775	1.2
289.07196	100.0
290.07394	5.4
328.05759	1.5
329.06616	3.4
339.08994	1.0
363.10892	3.2
363.16492	1.7
387.10870	6.8
405.93274	1.1
407.07626	10.9
425.08847	1.2
429.21658	1.2
435.10809	9.0
561.13672	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87948	2.7
59.01373	5.6
61.98837	12.8
69.03461	17.9
69.10130	20.6
69.10536	7.8
71.01404	5.1
73.02920	4.5
83.01438	2.9
83.05035	12.0
85.02979	3.2
86.00095	3.1
87.00883	5.5
97.02950	13.8
99.04537	9.0
101.02463	3.2
111.08125	3.1
113.02459	32.2
113.15536	3.0
123.04524	3.2
125.02459	100.0
127.04025	12.6
137.06168	6.1
139.07649	8.0
153.05602	4.5
157.10223	3.4
159.08055	3.4
171.10300	9.4
211.14948	4.1
242.95622	2.7
278.12476	3.1
307.17084	4.8
308.17615	3.3
331.20587	3.3
349.21695	6.0
369.17038	13.9
371.18756	8.5
377.21176	17.6
393.20886	18.9
395.22061	4.5
397.20096	7.1
399.21710	14.0
401.24847	6.8
411.21875	10.6
427.21561	13.6
445.23685	6.1
463.25064	8.2
489.22928	8.2
507.24011	23.7
517.27808	4.3
525.25055	66.7
526.24634	6.7
561.21838	60.3
562.22809	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87632	26.1
59.01389	44.4
61.98822	100.0
71.01395	35.9
71.51170	21.7
72.28104	21.8
72.99312	20.4
75.00874	24.4
75.73646	24.3
87.00873	46.7
89.02412	40.1
116.21323	21.2
139.07623	36.3
171.10255	37.8
267.64944	25.5
561.27557	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99194	1.0
58.55789	1.1
59.01386	2.9
61.98838	29.9
69.09380	11.8
75.00878	1.9
92.23689	1.2
93.03453	3.1
98.00102	23.8
99.04502	1.2
107.05032	10.5
109.06594	31.6
121.02957	3.3
121.25574	1.2
125.58182	1.1
153.05589	100.0
154.05917	2.9
159.87743	1.1
213.39790	1.4
319.88962	1.1
451.27106	1.5
481.26151	1.8
525.25220	6.5
527.48041	1.5
561.14081	1.7
561.22607	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83541	4.6
50.92456	4.9
59.01382	100.0
61.98830	61.1
63.52558	5.2
70.15275	11.9
70.15668	10.0
71.01377	10.4
72.99306	5.2
74.20068	5.2
75.00849	6.8
75.56800	6.2
85.02956	7.5
87.00867	5.8
89.02431	7.4
93.03461	6.6
97.02942	10.9
98.22503	5.5
99.04526	5.9
101.02456	10.1
103.60223	5.8
113.02416	6.3
122.72636	5.3
191.05630	7.5
223.32639	5.3
253.09132	6.9
305.10083	5.8
307.19147	7.4
325.20279	7.0
515.29010	7.9
523.23364	6.6
525.24768	21.6
561.21777	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2344
Annotation	(2'S,3'R,4'S,7'R,8R)-7'-Deoxo-2'-deoxy-2',3'-epoxy-4',8-dihydroxy-7'-[(1R)-1-hydroxyethyl]verrucarin A
Peak:m/z	Relative Intensity
50.78735	4.6
57.03444	14.0
59.01384	94.8
61.75485	4.8
71.01390	53.4
71.30450	7.6
72.99311	13.3
73.02948	32.0
78.95920	6.2
79.80618	5.7
85.02971	17.6
87.04517	75.1
89.02458	74.5
89.02966	8.6
94.04303	6.3
96.96026	23.2
96.96985	12.3
99.00812	6.0
99.04533	7.9
101.02453	29.2
107.05084	11.4
109.06592	58.0
113.02466	18.7
117.87162	5.6
121.06615	15.3
125.02472	16.6
131.03499	66.9
137.06119	20.4
139.07640	15.5
149.04576	54.7
151.07645	12.8
158.07687	6.4
163.07602	6.3
163.11331	8.3
165.05614	12.2
167.07159	18.9
177.09279	9.6
179.10780	9.2
181.08829	10.1
191.05608	36.5
197.09782	6.7
237.13008	8.0
239.10744	9.2
241.08896	5.7
241.12346	12.3
255.10350	39.9
256.11020	7.4
257.11853	24.3
267.16068	7.6
271.13571	6.5
279.13907	26.7
331.09637	6.6
347.16589	9.4
349.18158	10.0
365.17648	10.6
367.19330	12.1
379.19421	10.1
407.18735	28.2
411.18210	7.3
419.22342	16.6
425.19788	85.1
426.20279	8.3
429.19363	11.6
437.23138	7.5
451.17502	7.6
455.24396	8.7
459.20450	9.5
463.21393	7.4
469.18671	17.3
481.22421	43.1
482.22757	7.8
499.23273	78.0
500.23764	9.8
517.24329	23.5
523.94092	6.0
525.21570	14.4
543.22443	100.0
544.22900	10.0
561.23401	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2355
Annotation	(2'S,3'R,4'S,7'R,8R)-7'-Deoxo-2'-deoxy-2',3'-epoxy-4',8-dihydroxy-7'-[(1R)-1-hydroxyethyl]verrucarin A
Peak:m/z	Relative Intensity
50.79014	1.4
53.07065	1.6
53.85118	1.3
55.57842	1.4
57.03437	2.2
59.01376	2.6
61.98832	1.8
62.74534	1.4
69.03459	1.9
71.01374	2.4
71.31062	1.8
72.99313	100.0
73.02955	2.1
74.51378	1.6
75.94132	1.4
81.25343	1.5
82.42976	1.5
85.02964	2.2
87.85542	1.4
93.07101	2.8
95.05062	3.3
96.56477	1.4
97.02972	15.1
98.46860	1.6
99.04515	1.8
107.05087	2.0
109.06546	2.4
111.04577	1.9
114.21647	1.8
121.06599	3.5
122.03778	3.4
137.06091	21.0
153.05579	1.8
160.84293	2.1
163.07643	2.2
191.10785	5.0
247.09735	2.2
389.21445	1.9
407.22488	1.8
433.20029	9.3
451.21204	15.2
451.54340	1.6
463.21066	3.2
481.22141	3.6
499.22937	3.2
525.21301	22.7
543.22296	23.5
544.22748	3.0
561.22992	38.1
562.23645	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44938	3.4
57.03449	6.8
59.01383	32.1
63.02971	3.4
71.01383	13.7
72.99302	4.3
73.02973	19.1
85.02956	7.8
87.04515	47.6
89.02455	10.8
95.05031	5.5
96.96036	10.0
101.02458	12.1
107.05035	7.1
109.02972	7.0
109.06602	60.6
113.02464	8.5
121.06597	12.3
122.03741	6.3
123.04512	6.6
123.08184	5.4
125.02428	10.8
125.06097	7.4
131.03513	13.7
133.42628	4.4
136.05360	4.3
137.02457	5.2
137.06071	20.1
139.07674	15.0
149.04498	3.8
149.06075	5.9
151.07634	12.0
161.06041	5.0
161.09723	5.1
163.07658	7.7
163.11200	4.3
165.05554	10.3
167.03522	14.1
167.07121	8.2
173.09778	4.2
177.09254	7.1
179.10809	11.3
181.08781	6.4
186.47325	4.2
193.24677	3.5
197.09785	6.7
199.07924	5.0
199.11267	5.0
200.08322	4.8
213.05568	3.4
213.09218	7.0
215.10658	4.9
223.09698	7.5
232.49478	4.5
239.10651	7.2
240.07997	5.6
241.12366	12.9
255.10255	32.6
255.13989	5.8
256.10953	6.8
257.11813	25.9
267.16000	5.5
276.06039	4.2
279.11923	18.1
284.03098	5.2
285.04025	14.2
347.16595	7.4
349.18109	11.0
361.00443	3.9
365.17609	8.9
367.19232	10.2
379.19077	10.8
385.21823	5.9
389.17252	6.0
407.18570	35.6
419.22250	15.0
425.19699	83.0
426.20038	6.7
429.19119	4.9
437.23193	10.4
441.17828	14.4
443.20724	8.9
451.17514	7.2
455.24362	13.0
459.20203	4.2
463.21231	5.1
469.18982	7.1
471.18439	5.5
473.25558	4.7
481.22363	54.7
482.23016	7.3
499.23328	100.0
500.23599	12.5
517.24347	28.4
525.21362	11.3
543.22363	66.9
544.22229	4.8
561.23798	83.5
562.24158	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.8
58.00603	1.7
59.01383	100.0
63.84743	1.2
68.98654	10.1
68.99062	2.6
71.01388	53.5
72.99322	2.6
73.02959	5.0
79.76136	1.2
81.87700	1.2
83.01397	2.6
85.02948	8.7
89.02453	81.4
89.10697	1.3
96.96063	2.5
97.02966	1.8
99.00893	10.3
101.02454	35.4
101.84232	1.2
103.86803	1.1
108.94866	1.1
109.02971	4.9
113.02463	9.7
119.03547	8.9
123.04514	2.0
125.02449	16.4
129.02017	2.3
129.66933	1.3
131.03516	57.6
137.02470	6.6
143.03557	2.5
144.22362	1.1
149.04572	77.5
150.04808	1.6
151.04057	2.3
155.00183	1.2
161.02499	1.6
161.04623	1.4
163.06276	1.4
164.01224	1.6
164.04930	1.4
166.72632	1.3
173.04433	1.6
173.06059	1.4
179.05602	2.6
191.05629	35.2
204.41853	1.2
205.05173	1.3
208.77484	1.3
221.06630	4.5
245.08221	1.4
251.07747	3.2
267.15997	2.6
271.06104	1.8
289.07156	11.3
305.39615	1.3
311.09995	4.3
376.44336	1.4
407.07712	1.7
429.41507	1.3
489.52377	1.3
498.02496	1.5
561.13409	1.4
561.25513	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94250	1.4
57.03434	4.2
58.00597	3.8
59.01382	96.4
61.98816	1.6
68.99571	2.4
69.03463	4.9
69.21583	3.9
69.21995	10.0
71.01388	55.7
72.99304	3.4
73.02953	10.8
78.95882	1.7
82.07711	1.5
83.01385	3.4
85.02968	11.4
87.00871	2.6
89.02451	100.0
91.29141	1.6
91.48878	1.7
96.96038	2.0
97.02992	1.9
98.22609	1.9
99.00890	5.6
99.99489	1.5
101.02456	39.3
112.98582	1.6
113.02469	11.3
118.91573	1.4
119.03483	5.4
121.03017	1.6
125.02448	4.8
129.01956	3.0
131.03513	59.6
135.11752	2.1
149.04570	81.6
150.04915	1.9
161.04594	1.8
173.04541	2.7
178.20593	1.6
191.05627	33.3
197.11848	2.1
221.06656	3.7
251.07748	3.2
267.16046	32.0
283.85712	1.7
311.10077	2.0
369.19092	2.6
517.33801	1.7
561.25903	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94250	1.4
57.03434	4.2
58.00597	3.8
59.01382	96.4
61.98816	1.6
68.99571	2.4
69.03463	4.9
69.21583	3.9
69.21995	10.0
71.01388	55.7
72.99304	3.4
73.02953	10.8
78.95882	1.7
82.07711	1.5
83.01385	3.4
85.02968	11.4
87.00871	2.6
89.02451	100.0
91.29141	1.6
91.48878	1.7
96.96038	2.0
97.02992	1.9
98.22609	1.9
99.00890	5.6
99.99489	1.5
101.02456	39.3
112.98582	1.6
113.02469	11.3
118.91573	1.4
119.03483	5.4
121.03017	1.6
125.02448	4.8
129.01956	3.0
131.03513	59.6
135.11752	2.1
149.04570	81.6
150.04915	1.9
161.04594	1.8
173.04541	2.7
178.20593	1.6
191.05627	33.3
197.11848	2.1
221.06656	3.7
251.07748	3.2
267.16046	32.0
283.85712	1.7
311.10077	2.0
369.19092	2.6
517.33801	1.7
561.25903	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.8
55.75087	0.9
57.03442	4.3
58.00587	1.9
59.01383	40.6
61.98813	1.3
63.79783	1.1
69.53175	5.9
71.01390	41.6
72.99299	6.4
73.02946	8.3
78.95892	2.6
80.72816	1.0
83.01399	5.6
85.02962	13.3
86.58684	1.0
87.00895	3.6
89.02453	32.8
95.01380	2.0
96.96020	16.0
96.96962	5.8
97.02965	2.7
99.00879	7.7
101.02448	27.0
109.02937	3.5
109.06600	1.6
113.02454	12.6
119.03540	6.5
123.04530	2.2
125.02458	12.6
129.01891	1.5
131.03511	22.9
131.22887	1.0
135.04491	1.4
137.02464	8.0
143.03514	4.3
149.02496	1.7
149.04575	11.5
151.04018	1.4
156.49904	1.0
161.02451	3.6
161.04558	8.4
165.01949	1.0
173.04572	2.1
179.05637	2.8
179.10887	1.1
191.05652	14.0
204.23264	1.1
223.17012	1.2
227.03438	1.1
229.04933	1.8
233.06674	2.4
236.96754	1.0
238.34450	1.2
251.07635	1.0
255.02945	2.0
257.04562	1.3
267.16055	6.7
269.04648	1.1
271.06088	2.0
281.84653	1.3
284.03217	1.1
285.04099	6.2
289.07159	1.9
293.08978	1.3
361.21964	1.2
385.22382	17.0
409.09351	1.5
419.22961	1.0
423.10928	2.1
429.21432	2.7
451.10678	1.1
469.22638	1.2
481.22614	1.4
517.26453	1.8
561.14276	4.7
561.25494	100.0
562.25946	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	0.4
59.01383	6.0
61.98821	1.1
67.55064	0.4
68.99557	0.5
69.03442	1.6
69.03857	2.9
71.01389	3.5
72.99297	0.6
83.01378	0.4
83.05030	0.6
85.02958	0.8
87.00860	0.5
89.02448	4.6
98.21796	0.7
99.04509	0.7
101.02438	1.9
110.51337	0.4
113.02467	1.2
119.03533	0.5
125.02437	0.7
127.04028	0.7
131.03523	2.6
133.34541	0.4
139.07703	0.4
149.04543	3.7
161.04503	0.5
174.06998	0.4
178.99849	0.5
191.05664	1.6
202.24390	0.4
249.14958	4.6
267.16016	100.0
268.16403	6.2
281.17587	1.6
309.17059	0.5
471.23755	0.4
525.24872	2.4
561.23242	3.3
563.47211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99325	0.9
59.01389	13.2
61.98830	3.4
71.01385	11.1
71.32201	1.7
73.02946	7.3
75.00897	1.2
79.34846	1.0
83.05003	1.2
85.02958	7.6
87.00879	1.8
89.02455	19.5
93.03449	1.1
95.01402	1.6
95.05043	1.5
96.96011	1.8
97.02981	1.1
97.06567	1.5
97.96178	0.9
99.00887	23.4
101.02481	5.6
109.06611	1.5
113.02457	13.8
124.01665	1.2
125.02470	2.1
131.03517	3.5
137.06038	1.2
148.17250	1.0
149.04561	6.5
153.05563	4.6
161.04599	3.9
171.10271	4.8
191.05577	5.5
223.17026	10.9
249.15018	12.1
267.16037	100.0
268.16336	5.4
281.17587	2.7
284.03314	0.9
284.21008	1.0
309.17145	3.9
400.19693	1.2
441.21442	2.4
525.24817	10.7
526.25317	1.3
561.25708	87.4
562.26233	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00571	2.7
59.01383	100.0
63.20659	1.2
68.81326	1.1
70.26318	1.2
71.01383	55.8
71.29803	1.4
71.30140	1.8
72.99313	3.2
73.02943	6.4
83.01371	2.1
85.02942	10.4
87.00873	1.4
89.02452	96.7
96.96012	1.5
99.00871	5.3
101.01813	2.8
101.02452	39.1
113.02463	9.8
119.03516	6.5
125.02432	2.5
129.01923	3.2
131.03511	64.6
132.03981	1.5
132.05359	1.3
143.03564	2.1
149.04565	77.4
150.04776	1.3
173.04475	2.0
191.05618	47.8
221.06668	4.0
251.07835	2.7
267.16153	1.2
289.32224	1.3
302.05823	1.5
517.33832	1.4
519.25110	1.4
565.39178	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	14.3
61.98831	4.6
64.79413	1.1
68.01406	1.6
69.00947	100.0
78.66956	1.1
93.03480	1.4
111.04510	1.3
111.08168	1.4
157.63577	1.2
229.54527	2.6
247.89145	1.4
283.13538	1.4
465.00397	1.3
491.24475	2.1
523.23785	1.8
561.26550	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.272
Annotation	Fugaxin
Peak:m/z	Relative Intensity
57.03448	3.0
59.01388	7.8
61.98846	5.9
69.03458	3.6
71.01377	6.9
71.05025	2.4
72.99344	1.2
73.02945	1.9
81.03474	5.1
83.05043	5.0
84.02168	1.1
85.02966	3.3
85.06113	0.9
87.00883	3.4
89.02465	6.7
95.05054	0.9
97.02982	2.6
97.06605	1.3
99.00869	5.4
99.04536	10.2
100.24657	1.0
101.02445	4.0
107.05025	1.3
109.06585	2.5
111.00904	1.8
111.04512	1.8
113.02473	4.3
119.03492	1.7
121.06604	2.0
123.04580	1.7
124.01630	2.5
125.02446	3.7
125.06115	1.1
129.09285	1.0
131.03500	1.1
135.04517	1.2
137.06108	2.8
139.07664	63.0
140.07985	1.9
143.03511	1.9
145.02963	2.0
149.04572	1.9
151.00418	1.3
151.07646	1.3
153.09213	1.4
157.08681	1.8
161.04604	2.1
171.10297	4.8
178.99846	3.3
191.05708	2.8
197.11813	2.1
201.07707	3.0
209.11803	5.8
219.10323	1.0
249.14989	4.2
253.09273	4.6
267.16086	12.5
307.19168	6.8
325.20258	7.9
333.22079	1.1
341.05038	1.8
415.17957	1.3
431.24481	1.6
455.28226	2.7
473.28653	1.3
499.27237	2.9
503.23010	7.6
507.23907	1.9
517.28546	4.3
525.24915	27.6
526.25397	2.7
543.27277	2.3
561.26941	100.0
562.27332	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
57.03446	2.5
59.01096	1.3
59.01383	24.0
61.98822	10.7
64.49346	1.1
68.99554	1.4
69.02920	7.9
69.03347	4.1
71.01384	17.8
71.05016	1.9
71.25143	1.1
72.99297	1.9
73.02950	4.1
73.74104	1.1
75.00905	1.5
78.99367	1.2
81.03483	1.7
83.01369	2.8
83.05026	6.3
85.02948	6.1
87.00874	3.4
89.02451	16.8
95.01413	1.6
95.05055	2.6
97.02964	2.6
97.06613	3.0
99.04533	1.9
101.02447	14.7
109.02957	1.9
109.06568	4.0
111.04520	1.9
112.05295	2.1
113.02469	8.0
115.07677	1.4
119.03513	3.4
123.04568	1.4
123.08195	1.3
125.02432	4.6
125.09696	6.0
127.07686	5.8
131.03488	2.0
135.04494	1.3
135.08153	2.8
137.02437	1.6
139.07687	4.9
141.09282	1.3
149.04559	4.5
151.00365	5.3
153.02005	1.7
153.09229	30.2
154.09583	1.8
155.10783	2.0
161.04578	5.4
163.11316	4.7
165.12929	2.8
171.10277	41.9
172.10539	1.8
178.10036	3.8
178.99881	5.8
185.11810	5.3
191.05525	2.3
197.11853	8.6
209.11844	67.0
210.12260	3.0
211.13338	1.3
227.12926	1.6
236.10794	1.6
238.12016	1.4
245.19101	2.4
249.15004	2.7
253.09312	35.0
265.18051	1.4
267.16019	73.9
268.16412	3.2
279.19666	2.0
281.17566	1.7
289.18073	10.2
297.20670	3.0
307.19168	100.0
308.19556	6.6
309.17291	1.8
325.20221	54.0
326.20480	2.4
341.05142	4.0
399.23840	2.8
464.09772	1.9
474.21133	3.2
543.28125	27.4
544.28125	2.8
561.17798	1.9
561.28351	24.1
562.28113	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25026	0.7
61.98826	2.1
67.34210	0.7
69.06253	3.7
69.06686	4.2
78.95455	1.1
78.95912	22.3
105.76317	0.8
152.99580	5.1
168.04309	2.4
196.88634	0.7
224.06941	8.1
242.08032	1.8
279.23309	100.0
280.23660	5.9
504.30994	68.5
505.31564	5.1
535.72552	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59421	0.4
57.32815	0.4
59.01382	0.8
61.98838	3.8
74.27157	0.4
78.95903	6.3
91.79787	0.6
96.96973	0.6
118.72925	0.5
128.33765	0.4
152.99574	3.3
168.04305	1.6
182.07240	0.5
224.06902	1.2
242.08014	2.5
279.23300	100.0
280.23642	5.8
504.30991	29.1
505.31207	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90277	12.9
54.92758	11.7
55.43162	12.6
59.01382	34.7
69.02304	100.0
69.02705	29.6
71.01385	83.1
72.99304	15.6
85.02957	39.2
88.13268	14.0
89.02435	33.2
101.02460	59.4
102.15707	13.7
105.93214	18.9
113.02486	41.0
127.18151	15.9
160.04243	12.9
161.04579	50.3
182.88849	14.2
261.69910	17.4
438.82504	17.5
519.18683	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10583	18.5
59.00467	18.3
59.01408	28.9
61.98837	34.0
69.60081	100.0
90.05177	15.9
93.97684	15.5
98.22441	27.0
148.05359	41.8
163.07689	38.1
169.40646	17.8
213.77628	18.6
288.65518	17.0
326.52866	18.5
345.34586	18.1
374.89206	17.4
518.05615	17.7
527.09589	19.0
560.56732	17.9
574.01563	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.23
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	35.5
61.98822	100.0
70.94850	51.2
75.35975	28.3
83.50204	30.4
88.43342	33.3
102.69592	38.2
112.32541	26.1
125.02470	37.0
127.20891	32.7
148.05299	44.4
163.07632	49.2
179.85864	34.1
220.70499	30.2
317.17807	30.7
550.94281	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	9.1
57.56265	3.3
59.01385	50.3
59.61600	4.3
63.04197	3.2
71.01383	62.5
73.02943	9.9
78.95891	3.9
83.01398	5.3
85.02966	23.6
86.10017	3.5
87.00884	6.8
89.02456	36.1
90.71200	3.6
91.68870	3.1
96.95995	11.9
96.96973	10.3
99.00886	6.9
101.02449	33.1
101.29530	3.7
113.02470	20.3
115.00365	6.5
118.27027	3.2
119.03508	4.0
119.38188	3.4
125.02476	8.3
131.03499	13.5
138.06860	11.5
143.03476	7.8
149.04564	10.5
153.09213	27.7
155.10791	11.8
156.11092	6.5
161.04550	24.3
173.04626	4.4
175.02513	15.4
191.05635	10.3
199.09718	17.5
200.10106	12.0
225.14975	47.7
293.08820	4.3
346.18005	3.8
387.15503	7.7
387.20279	100.0
388.20319	5.9
519.24438	61.5
520.24988	4.4
563.26208	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80770	0.3
59.01378	1.3
61.98833	100.0
69.04705	0.5
69.05109	2.2
76.34618	0.3
87.05657	0.3
98.21724	0.6
100.31901	0.4
156.64162	0.3
484.31720	0.4
562.34564	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
69.07974	14.2
72.26857	1.7
75.65755	1.7
116.97330	1.4
118.06947	1.5
140.97679	1.7
150.18687	1.5
154.79179	1.4
172.79391	1.5
177.81978	1.5
210.09053	1.7
263.67236	1.5
495.44766	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05676	0.9
61.98834	100.0
65.46746	0.9
69.04646	6.4
69.05057	1.7
72.20107	1.1
95.22409	0.9
140.99355	1.1
160.84254	1.0
180.42862	1.0
226.53490	1.1
245.88425	0.9
365.27057	1.0
402.59714	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78407	0.9
61.98831	5.5
69.68147	1.7
69.68535	1.9
78.95904	7.9
140.01205	2.4
165.12758	1.9
181.12349	1.6
191.05576	1.4
196.03802	1.6
199.13416	21.2
200.13594	0.8
214.04898	2.5
269.92444	0.9
279.19635	3.3
302.28131	1.1
309.17941	0.8
313.47696	0.8
347.25848	5.1
365.26968	100.0
366.27301	8.5
385.54251	0.9
562.31543	19.1
563.31836	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	9.2
58.59478	1.7
59.01371	3.2
59.04528	1.9
68.99359	18.9
69.03442	3.3
81.03464	3.9
81.53955	1.8
83.01391	8.7
93.03444	2.4
95.05035	4.4
97.02969	5.4
99.04534	5.0
107.05036	2.1
108.29608	2.0
109.02972	2.1
121.03068	2.3
125.02462	48.6
137.02464	43.1
139.03996	2.0
151.00397	2.6
151.04013	9.0
159.04500	2.9
163.04050	2.5
164.01093	4.6
165.01933	17.1
167.03529	26.8
171.04442	2.8
173.06154	3.8
179.03598	6.0
181.05128	5.7
185.06093	4.9
187.04050	5.7
187.59521	2.6
189.05615	3.8
195.04562	2.8
197.06111	2.5
198.03175	2.9
199.04134	3.1
201.05580	11.9
203.07289	2.2
211.04008	7.0
212.04695	2.9
213.05595	15.9
215.03531	8.3
216.04187	2.2
217.05125	6.6
225.05612	4.2
226.02632	2.3
227.03514	39.5
228.04172	4.6
229.05064	17.9
231.02834	2.6
231.06737	4.7
240.04269	3.2
241.05087	82.1
242.05533	2.3
243.02954	3.3
249.05624	2.5
253.05087	7.8
254.05748	2.7
255.03027	75.4
256.03696	8.8
257.04593	30.0
258.05084	2.5
259.06146	4.0
269.04507	28.2
269.07150	2.5
277.05252	3.4
279.06439	2.1
280.03955	2.4
281.04633	10.5
284.03290	98.7
285.04001	15.5
291.06705	4.0
292.07489	3.0
293.04633	2.8
297.07550	3.3
307.06042	2.5
309.07715	2.3
311.09134	2.8
319.06506	2.6
321.07904	4.2
333.07892	2.3
349.65115	2.1
353.10272	2.5
355.08640	2.6
361.07239	2.6
363.08801	4.4
371.21002	4.2
377.06787	3.4
379.08151	10.3
389.06909	5.8
395.07690	8.0
397.09311	7.5
407.07809	11.5
419.07574	2.5
424.08429	2.6
425.08804	12.5
437.09296	3.3
457.68503	2.3
479.50809	2.3
500.87991	2.1
519.13263	3.1
545.10901	7.9
563.13470	100.0
564.13757	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.4
59.01385	4.6
59.08840	0.8
70.60902	0.9
70.61237	2.0
76.03613	0.7
81.03456	2.7
83.01389	4.3
85.02939	1.2
89.02451	1.0
91.12365	1.0
93.03463	1.0
95.05035	3.1
97.02953	3.7
99.04513	1.8
101.02461	1.2
107.01416	1.8
107.05042	1.1
109.02963	1.9
113.06094	1.1
121.03030	1.1
123.04552	1.4
125.02462	20.9
132.02174	0.9
132.96225	0.7
135.00925	0.8
137.02455	18.3
139.04044	1.6
151.00372	2.6
151.04001	4.4
152.29448	0.9
157.06531	1.1
161.75955	0.8
163.00447	1.8
164.01202	2.8
165.01982	5.4
167.03484	12.9
169.06693	1.0
173.06064	1.2
175.03989	1.3
178.99847	1.0
179.03540	2.7
181.05089	3.8
185.02399	1.2
185.06096	1.7
187.04025	1.7
188.04770	1.1
189.05621	2.3
195.04472	1.0
197.06250	1.0
199.03967	1.9
201.05637	3.3
211.04028	3.1
212.04773	1.8
213.01772	0.8
213.05551	6.4
215.03551	3.7
217.05103	2.6
223.07640	1.1
225.05547	2.3
227.03503	39.3
228.04070	2.8
229.05110	9.8
231.06660	1.8
239.03514	1.1
240.04240	1.4
241.05075	31.3
242.02307	1.9
242.05412	2.1
243.02953	1.4
249.05670	1.2
252.04390	1.3
253.05080	3.8
255.03001	69.5
256.03616	8.5
257.04584	14.9
257.07086	1.5
258.05121	1.1
259.06180	3.1
263.07080	1.2
264.04370	1.2
265.05234	1.6
265.08615	1.0
267.06845	1.1
269.04550	10.9
269.07626	1.1
271.06079	1.3
279.06610	2.2
281.04523	4.5
283.02518	1.3
284.03284	100.0
285.03897	14.7
287.05432	1.4
291.06827	1.6
293.04770	1.0
293.08105	1.4
305.08008	1.0
307.06287	1.2
309.07928	1.1
321.07687	1.5
323.09235	1.2
335.09442	1.3
337.07132	1.1
340.43115	0.9
345.07681	1.1
353.06662	1.0
355.02533	1.0
363.09137	1.6
365.06693	1.1
371.20737	3.4
377.06635	1.6
379.08264	3.1
379.67856	0.9
389.06729	2.2
395.07556	4.0
397.09451	2.6
399.07068	1.4
405.44141	0.9
407.07587	4.9
419.07416	1.2
425.08856	4.4
437.09454	1.0
501.12103	1.3
503.25223	1.1
519.13190	2.2
528.57544	0.9
545.11121	2.2
563.13867	88.5
564.14154	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40347	0.3
59.34718	0.4
63.02397	0.3
65.00317	0.3
65.86053	0.4
67.23846	0.4
69.49644	0.4
70.50865	0.4
87.50584	0.4
98.21831	1.1
107.01376	1.1
110.13401	0.3
111.88742	0.4
132.02187	1.3
135.00909	0.6
150.94891	0.4
151.00375	2.3
159.04514	0.4
163.00438	1.1
164.01198	0.7
171.04565	0.5
178.99904	2.1
183.04529	0.8
185.02458	0.7
187.04007	0.6
199.04259	0.5
200.04890	0.6
209.00682	0.4
211.03998	1.2
227.03516	35.6
228.03960	1.4
229.05019	1.7
239.03485	1.5
241.05043	0.6
242.55521	0.4
255.03000	69.6
256.03546	6.1
257.04523	1.6
276.57614	0.4
283.02475	1.2
284.03284	100.0
285.03897	14.2
399.07446	1.8
532.66010	0.5
563.14075	68.3
564.14331	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
58.00578	0.7
59.01091	1.0
59.01384	15.3
67.01903	0.7
69.51508	2.9
69.51917	1.0
71.01386	23.8
72.99303	1.8
73.02943	2.7
83.01392	5.3
85.02974	4.1
87.00882	32.3
89.02444	5.0
93.03436	1.5
96.96018	2.7
98.21815	1.2
101.02455	5.4
104.13982	0.6
111.00890	7.4
112.98827	0.9
113.02453	3.6
115.00381	56.6
116.00765	0.9
119.03543	1.1
125.02448	1.9
127.00408	1.7
131.03513	2.2
137.02434	0.9
139.00386	13.3
149.04561	3.1
151.00432	1.0
157.01443	25.8
161.04654	2.0
163.04073	0.7
173.04585	1.5
175.02486	100.0
176.02849	1.7
178.99812	0.7
183.04593	0.7
191.05649	2.5
211.04028	1.3
225.10428	0.6
227.03516	16.3
229.05063	14.4
239.11784	1.1
255.02992	24.5
255.11362	1.4
256.03564	3.1
267.11160	1.6
283.10901	2.6
284.03284	33.2
285.03928	5.5
293.09207	4.7
296.08051	1.1
311.10388	1.5
325.11978	0.9
343.13055	2.8
387.12003	13.9
388.12311	1.0
389.08856	2.4
401.13705	0.8
415.11557	1.6
417.13342	3.7
431.22879	1.2
445.12460	5.5
447.14069	1.4
459.14075	1.2
463.14084	0.9
483.13998	5.4
501.15137	8.4
503.13303	3.5
515.12695	1.0
519.28583	1.0
527.13037	1.2
563.14075	19.4
563.27332	2.1
564.14380	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42472	0.7
59.01386	37.1
61.98836	7.1
70.85889	0.6
73.10196	0.7
78.95924	1.2
93.15225	0.6
99.48478	0.6
99.54840	0.6
103.48847	0.8
105.00950	0.7
121.02972	100.0
122.03316	2.4
134.87750	0.8
150.98746	0.8
187.49602	0.7
279.23328	2.9
280.23599	1.1
351.08707	1.1
366.11295	1.5
379.26709	0.8
381.13538	3.1
441.65070	0.8
471.15787	0.7
500.30515	0.8
501.32187	3.0
503.17178	1.9
504.17444	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70739	1.1
57.03454	2.4
59.01383	8.4
61.98842	1.3
65.06123	1.1
69.03452	2.5
71.01392	4.8
72.99308	4.4
73.02962	1.9
80.34232	1.0
81.22830	0.9
83.01374	1.0
83.05042	1.9
85.02467	1.7
85.02953	16.7
87.00887	6.6
89.02456	1.8
93.03454	9.9
95.05006	1.2
97.02956	11.3
98.22284	5.3
101.02443	3.9
109.03029	1.3
111.04582	2.3
113.02458	2.4
121.06526	1.2
123.04551	1.1
125.02476	1.1
127.04015	3.7
131.03490	1.3
132.02190	3.6
133.02945	2.3
134.03740	3.1
135.04543	4.0
137.02478	1.6
137.06097	6.4
148.05342	1.2
149.04541	1.2
151.03941	1.3
151.07741	1.3
160.01660	10.0
161.04597	1.7
162.03194	1.5
172.05336	1.8
173.04543	5.5
174.03242	3.6
174.06921	1.5
175.04070	1.6
176.04817	1.0
177.01872	1.1
185.02449	1.5
186.03159	1.0
186.06848	1.5
191.05626	100.0
192.06004	2.5
192.72096	1.1
199.04002	1.2
200.04762	4.3
201.05635	1.4
204.07899	1.2
211.13440	2.2
214.06297	1.5
222.53215	0.9
227.03534	2.7
247.09766	1.8
255.03017	5.9
257.15475	3.5
257.19241	1.1
284.03223	7.0
299.16534	7.3
304.87482	1.2
309.14841	1.2
317.17609	1.3
325.14392	6.1
327.15967	12.5
343.15549	14.4
345.17163	10.4
353.13959	2.7
371.15021	69.9
371.19843	2.2
372.15402	6.0
385.22134	1.3
389.15900	1.9
431.22620	1.2
445.18649	1.6
465.21277	1.8
489.21530	1.3
545.24365	4.9
563.13458	2.4
563.23602	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
57.04203	0.4
59.01393	3.6
64.77306	0.6
67.01893	0.7
69.05672	4.3
69.06016	0.7
71.01381	2.7
72.99326	0.5
73.02924	0.8
81.03471	0.7
83.05009	0.7
85.02957	15.2
87.00876	3.4
89.02496	0.8
93.03462	5.0
95.01382	1.2
97.02942	0.9
99.04526	0.9
101.02428	1.3
109.02956	1.7
111.04504	2.3
113.02468	0.7
113.45812	0.5
125.02412	0.7
127.03998	2.9
131.03531	0.6
134.12001	0.4
137.06059	0.8
139.74702	0.5
155.03520	0.6
159.04561	0.7
163.11322	0.7
171.03029	0.7
171.10287	1.0
172.05307	4.3
173.04526	1.6
173.05873	0.6
183.04448	0.9
185.06126	1.1
187.04088	0.8
191.05629	100.0
192.06015	3.0
192.07440	0.5
196.05351	0.6
197.06116	2.0
199.03987	5.5
200.04813	2.8
201.05511	1.0
204.04352	0.8
211.04070	1.0
211.07680	0.9
211.13351	0.6
213.05696	0.6
214.06381	1.1
226.02849	0.5
227.03513	18.7
228.04280	11.7
229.04845	0.6
232.03841	0.6
240.25995	0.5
253.09309	1.4
255.02959	1.7
257.15546	0.6
267.13989	1.4
283.13428	20.3
283.16623	1.0
284.03159	2.5
284.13876	1.3
301.14471	5.4
309.14951	8.2
311.12921	3.9
325.14465	2.0
327.12332	1.7
327.16052	4.9
327.21774	6.4
329.13980	3.5
343.15598	0.8
345.17090	1.3
353.09937	0.8
353.13971	8.5
354.14352	0.8
371.15021	91.8
372.15393	7.8
462.76736	0.5
491.90155	0.5
563.13519	1.4
563.21893	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.3
57.37428	1.6
59.01380	18.3
60.94905	1.8
61.98828	14.8
65.03977	2.2
67.01873	3.3
69.03458	10.2
69.06821	13.5
69.07240	5.5
71.01393	13.5
72.82822	1.9
72.99292	6.2
73.02966	8.8
81.03452	3.8
83.01389	3.6
83.05023	27.5
84.02045	1.8
85.02946	9.3
87.00877	18.6
89.02437	7.9
93.03463	10.5
95.01424	2.0
95.05025	8.6
95.85071	1.6
97.02949	4.3
97.06578	4.0
99.04504	3.2
101.02448	4.1
107.05031	4.5
108.02187	2.2
109.02967	6.5
109.06606	3.8
111.00851	6.0
111.04507	7.4
113.02464	2.6
119.05023	6.0
121.02908	1.7
121.06643	3.1
123.04531	4.0
127.04012	18.0
133.02942	7.1
133.06561	2.1
134.03755	3.6
135.04541	6.4
137.02415	3.9
137.06081	5.6
139.07634	2.2
145.02971	2.2
145.06599	3.4
146.03741	2.7
147.04494	11.0
149.06029	3.2
151.07622	3.5
153.05565	7.2
153.09219	3.4
155.03435	3.4
157.06636	2.2
158.03702	2.6
159.04520	3.2
160.05388	2.6
161.02457	4.8
162.03214	2.6
163.04027	9.5
163.07649	2.6
165.05542	2.6
172.05244	2.1
173.04533	23.4
173.06033	8.2
174.03287	2.8
174.06799	2.2
175.04044	11.7
175.07623	3.6
177.01942	3.6
177.05486	3.0
178.02638	4.1
181.05040	3.5
186.06885	6.6
187.03983	3.6
187.07614	7.5
189.05542	7.6
189.09221	5.0
191.05602	7.3
191.07147	2.4
192.04297	5.3
194.02359	1.9
197.05943	2.1
199.04112	2.9
199.07597	2.8
201.05577	7.9
201.09157	4.8
203.07126	6.9
205.08675	4.3
211.13318	3.5
213.05472	2.2
214.06404	9.7
215.07103	14.2
223.07637	3.6
225.09274	2.8
227.03490	16.8
229.08670	11.7
230.09496	5.4
233.08156	3.9
237.09198	2.3
239.10883	2.6
241.08578	2.6
243.10194	4.8
247.09744	7.2
248.10680	4.4
251.36359	1.9
253.08812	2.2
255.02963	31.9
255.10275	4.3
256.03690	3.2
265.12039	2.1
271.09857	3.4
273.11389	4.4
283.13235	4.0
284.03259	35.1
285.03912	7.2
285.11523	2.5
292.76715	2.2
293.11737	3.9
309.15015	2.2
311.12842	6.3
317.10410	9.1
324.06351	3.1
327.16022	4.7
329.13861	3.6
339.08716	2.9
345.16959	6.6
354.11053	3.7
355.11789	6.9
369.13257	4.3
371.15067	4.3
373.12903	5.7
381.13382	3.8
389.15979	7.9
397.17072	2.1
399.14374	2.5
409.15079	4.6
453.06458	1.9
465.19110	4.1
483.20123	2.8
501.21323	5.0
509.18030	3.8
527.18689	10.8
545.20117	20.6
563.13593	24.1
563.21320	100.0
563.28790	10.0
564.14050	4.0
564.21875	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	2.0
59.01381	18.6
61.98835	1.7
69.03466	1.6
69.60310	6.1
71.01399	9.4
72.99310	1.5
73.02942	2.2
83.01379	2.0
83.05041	1.8
84.44132	1.2
85.02958	12.4
87.00876	6.5
89.02467	7.5
93.03462	11.2
95.01384	1.6
97.02953	2.8
101.02454	8.9
109.03014	2.1
109.06608	1.5
111.04592	3.0
113.02471	4.7
119.03551	1.4
127.04024	1.9
131.03510	9.2
137.06148	2.4
149.04584	3.2
155.03546	2.4
159.04526	2.6
160.05321	4.9
161.04579	2.2
172.05331	15.3
173.04576	6.7
173.06104	4.4
179.10799	1.5
185.06090	2.3
186.06929	1.9
187.03970	5.8
191.05624	89.8
192.05998	2.7
200.04666	1.8
201.05614	4.0
202.06369	3.8
204.04303	2.9
209.15407	1.5
215.07042	1.5
217.97601	1.2
227.03510	12.0
228.04211	4.7
255.02994	15.2
255.13821	2.3
256.03476	2.1
257.15610	3.1
283.13416	100.0
284.03214	20.5
284.13742	5.3
285.03943	4.8
299.16556	1.5
301.14468	38.1
302.14795	2.3
309.14975	6.0
311.13016	2.8
327.12448	3.3
327.16077	13.1
329.14026	2.7
345.13443	5.2
345.17084	68.9
346.17273	6.7
353.13937	4.8
371.15045	36.0
371.20599	5.2
372.15381	1.8
389.16098	3.1
461.21680	2.3
483.24655	1.3
503.24875	2.5
519.19305	1.8
545.22961	1.5
559.00787	1.5
563.13776	10.0
563.21863	11.6
564.14087	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52061	11.7
54.16577	10.0
54.72168	10.2
59.01373	25.5
61.98825	18.5
70.17583	13.3
70.17931	32.5
71.83836	10.9
106.16636	10.9
126.89986	11.5
206.89905	12.7
233.15440	100.0
329.06436	51.5
366.46002	12.8
381.40176	12.4
393.31491	11.1
400.18631	12.0
403.25702	11.0
461.69083	12.2
516.35547	14.0
563.22327	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	10.3
59.01388	45.3
61.98837	97.0
69.03407	8.7
69.49667	65.9
71.01369	37.6
72.99277	9.1
73.02953	13.3
83.05024	11.3
85.02949	76.1
87.00880	20.9
89.02431	25.7
93.03445	30.0
95.58537	8.3
101.02450	21.0
109.75267	10.9
112.78993	10.2
113.02436	11.6
137.02365	9.9
163.98882	8.5
173.04564	91.8
179.85686	9.2
187.03607	11.0
187.07631	9.4
191.05608	30.1
201.05571	15.2
203.07147	21.1
205.08727	11.3
225.01945	10.8
227.03430	32.7
233.08066	15.3
247.09720	19.3
255.02942	59.4
284.03226	100.0
285.03973	14.3
303.23441	17.8
356.51556	9.2
388.99051	10.1
389.15994	13.5
399.25229	17.2
417.26550	92.0
428.01987	10.6
527.27252	11.1
563.14038	46.2
563.22833	30.5
563.33508	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2428
Annotation	alpha-Diohobanin
Peak:m/z	Relative Intensity
59.01353	7.5
61.98836	13.3
69.00457	32.1
87.03052	2.7
89.02431	3.4
97.02930	7.8
98.48627	3.3
126.03243	3.5
139.07635	3.6
144.91046	3.1
151.10414	2.4
192.90828	2.5
206.44867	2.8
227.03374	5.0
255.02893	6.5
270.01688	2.7
284.03381	19.2
488.06937	3.0
525.24976	3.4
527.26147	8.4
563.14014	10.2
563.23859	100.0
564.24451	12.4
571.12476	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95426	3.3
55.56770	3.2
56.82892	3.2
59.01371	3.9
59.37737	3.5
59.85197	3.0
61.98842	31.5
67.22497	3.1
71.01383	9.3
73.10197	3.2
87.00905	7.9
89.02439	8.8
121.06638	4.8
132.11380	3.6
140.40871	3.6
191.05676	8.2
202.68938	3.8
245.61713	4.1
255.03027	8.3
284.03336	10.3
527.26544	100.0
528.27136	13.0
531.21765	4.4
543.19751	3.5
563.15198	6.9
563.24731	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49720	1.5
59.01385	4.7
61.98838	20.2
75.00880	73.7
78.95901	8.1
80.96513	1.5
91.45589	1.6
112.79296	1.5
117.40340	1.5
121.02952	4.9
126.53886	1.5
152.99609	2.6
229.29077	2.0
242.08028	4.6
255.03091	2.1
277.21744	100.0
278.22104	27.4
284.03275	2.5
404.20331	1.8
405.33176	1.6
502.29453	25.6
503.29605	12.0
518.62360	1.8
527.26453	12.2
563.14740	3.9
563.25122	3.1
594.10992	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01709	8.2
57.03448	14.8
61.98824	85.0
62.37720	9.5
68.42505	8.2
73.00291	8.3
78.95911	10.3
83.05035	23.5
101.13651	8.0
108.22797	7.8
123.08122	12.4
127.05909	9.2
133.31339	8.8
151.07587	9.3
160.49661	7.9
166.01117	9.1
180.62527	7.9
227.03706	10.8
229.50783	13.2
255.03009	29.6
279.19785	16.8
283.20602	11.2
284.03217	29.0
365.26935	28.9
366.27377	80.2
397.55838	8.3
421.27606	20.1
464.52875	8.9
465.26498	20.8
469.22763	15.6
527.26495	100.0
528.27368	11.3
563.14551	21.7
563.24207	56.9
563.32129	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.6
61.23527	2.3
61.98515	5.1
61.98835	96.2
74.04633	2.1
83.05039	2.7
87.00883	3.9
99.04527	3.5
111.95142	2.2
125.09736	13.1
135.08144	2.7
139.07658	54.0
153.09193	6.0
197.08125	5.0
227.03461	2.5
229.30252	2.3
255.02994	7.3
284.03323	10.6
329.17435	2.5
420.64218	2.3
474.79547	2.6
483.27536	9.0
527.26526	100.0
528.26862	11.0
563.14020	5.3
563.24207	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2424
Annotation	alpha-Diohobanin
Peak:m/z	Relative Intensity
61.98837	46.5
69.54902	75.2
85.02961	25.4
85.86805	16.2
89.17892	15.0
91.47591	14.9
98.43434	15.3
109.06674	17.1
111.19051	18.8
119.47511	18.1
123.65214	17.9
136.10081	17.8
174.17159	17.6
182.15012	16.7
226.88643	16.8
246.07658	16.5
288.66986	17.6
341.17688	20.0
525.25122	25.2
527.26398	100.0
563.24384	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54821	17.8
59.01378	62.2
61.98829	36.6
68.22796	19.5
71.31184	30.2
73.02930	20.3
85.51285	20.7
107.29854	18.6
150.03178	20.8
233.15472	64.0
248.38464	24.0
260.75339	20.9
325.07227	23.0
329.06470	30.3
340.09357	33.6
355.11838	60.7
386.13876	32.8
401.16068	65.0
563.23175	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97266	1.8
56.26880	1.5
59.01375	3.7
61.98838	10.5
68.20387	1.8
78.95908	12.6
81.94939	1.7
83.05023	2.1
85.96684	2.2
89.25335	2.1
96.96039	8.1
125.09758	2.2
140.01233	2.4
153.06664	2.1
191.05627	4.5
196.03664	2.6
199.13406	12.7
200.13795	7.8
214.04927	2.4
255.02979	2.5
279.19614	3.2
280.19989	5.1
284.03192	3.7
339.64215	2.0
343.03152	1.9
348.26312	2.7
365.26923	29.6
366.27307	100.0
367.27560	5.6
421.27567	3.7
527.26660	10.1
563.14929	3.5
563.24091	5.7
563.31982	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	15.9
59.01361	20.6
61.98801	10.4
69.03463	31.0
69.50444	59.5
71.01385	20.5
71.05038	9.5
72.99307	57.6
73.02956	11.9
83.05036	31.8
85.02966	16.5
87.00880	8.7
93.03449	10.9
95.05061	20.6
97.02959	60.8
98.21893	9.0
101.02464	19.9
109.02979	11.3
109.06615	13.5
111.04533	11.9
112.41908	8.9
121.06599	8.5
123.04530	22.2
123.08199	14.7
125.06110	9.9
137.06116	72.1
139.07672	24.6
147.04561	12.8
149.06113	19.2
161.05942	9.8
163.04051	16.5
187.07742	10.7
191.10789	17.2
193.12329	11.4
209.11919	11.1
239.10681	10.2
242.52913	8.9
257.11908	13.1
259.13202	11.5
301.10901	9.7
319.11972	36.6
438.62570	10.1
447.21021	12.3
465.21777	27.8
483.23468	22.0
501.23468	10.2
517.24615	12.8
527.22882	37.5
545.24268	92.8
546.24377	16.2
563.25098	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.7
59.01381	9.4
59.87575	2.0
65.03973	2.2
69.03468	7.9
69.26973	1.8
69.27274	16.1
71.01385	6.5
72.99297	3.4
73.02947	5.4
77.74684	1.6
79.05540	2.2
83.05034	7.7
85.06598	4.3
93.03449	3.9
95.05051	6.8
97.02985	10.0
97.06601	6.6
101.02444	3.0
107.05035	6.2
109.02969	2.2
109.06604	42.0
111.04568	4.7
111.08125	4.0
113.02444	13.0
121.02973	2.6
121.06595	10.3
122.03757	5.5
123.04553	4.3
123.08162	6.5
124.05271	2.8
125.06104	12.4
129.05583	4.7
133.06598	5.7
135.04532	3.5
135.08138	3.7
137.06111	12.6
138.06921	3.9
139.07675	6.2
145.06599	2.8
147.08237	2.3
149.06120	2.6
149.09746	5.5
151.03993	2.4
151.07684	2.7
151.11296	5.3
161.06070	2.6
161.09712	5.7
163.11310	8.2
164.08456	5.6
165.09131	2.6
167.07202	4.0
168.26665	1.8
171.08148	2.2
173.05992	2.5
173.09627	3.6
175.07640	4.1
175.11278	2.8
177.09225	7.1
177.12772	2.8
179.10791	49.2
183.08125	2.7
185.06187	2.1
185.09631	2.5
187.07629	2.6
189.09250	5.0
191.10815	5.5
193.12421	3.8
195.10338	3.8
197.09753	4.9
199.07628	5.9
199.11331	6.7
201.09270	3.1
203.10768	10.7
209.09912	2.5
213.09204	4.5
215.10786	15.0
217.12294	3.5
223.09767	7.2
223.11610	2.5
225.09198	2.4
225.11229	3.5
226.10118	2.3
231.13989	3.1
239.10805	8.9
241.08453	2.2
241.12325	18.2
242.12738	2.4
243.14079	2.8
257.11801	17.9
259.13455	20.2
272.14941	1.9
277.14426	4.8
281.15518	7.2
284.03326	2.0
285.11469	4.9
299.16431	3.3
301.10901	13.1
345.14661	2.5
363.19397	2.7
403.22638	9.9
421.23981	19.3
437.95401	2.2
439.24939	11.4
447.21616	4.5
465.22885	26.2
483.23917	66.3
484.24310	6.6
501.25000	26.0
509.21988	25.3
510.22153	5.1
519.25385	2.6
527.22882	100.0
528.22937	10.7
545.24017	45.9
546.23700	4.7
563.24902	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46641	2.6
57.03453	6.6
59.01387	30.2
61.98835	9.9
69.03465	6.8
69.09551	22.8
70.57083	2.7
71.01385	17.3
71.04988	3.9
72.99324	33.7
73.02960	8.7
83.05029	3.1
83.90356	3.4
85.02953	12.9
86.31630	3.1
87.00889	21.0
89.02438	6.6
93.03472	23.9
95.05039	5.3
97.02969	22.9
98.22381	12.6
101.02472	9.0
109.02986	3.1
109.06602	5.7
111.04545	3.9
113.02480	5.2
117.08894	3.4
119.44396	3.0
121.06661	4.2
122.03770	3.7
123.04567	4.3
123.08178	5.3
131.03517	5.0
133.02960	9.3
133.06624	3.8
134.03731	4.8
135.04521	8.5
135.08160	4.4
137.02473	4.0
137.06107	15.5
139.07614	3.7
147.08124	4.7
151.04048	3.7
155.03549	3.2
163.11336	3.3
173.04562	24.4
173.05977	5.5
175.04048	2.7
175.07649	4.7
175.20311	2.6
177.01920	4.3
178.02731	6.1
179.03580	4.0
179.10765	5.1
186.06932	3.8
187.07643	7.6
191.05640	100.0
191.07373	5.6
192.05882	3.5
194.27171	2.8
201.05554	6.1
201.09224	3.3
203.07137	6.6
204.07767	3.7
208.78624	2.9
211.13496	3.3
227.03540	16.4
230.09483	6.3
247.09804	6.7
255.03038	21.0
284.03293	32.4
309.15067	5.4
327.16101	13.4
345.17065	15.8
353.13852	5.0
371.11331	3.4
371.15091	29.3
371.20630	7.5
389.16077	9.0
401.16217	5.6
419.20978	5.5
429.19150	5.4
465.21899	6.1
483.23703	8.2
517.24335	15.0
525.24463	4.3
527.23102	9.1
545.23975	59.3
546.23920	5.5
563.13904	20.7
563.22906	28.6
564.21899	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12599	1.3
55.01865	2.4
57.03435	4.2
58.00582	2.4
59.01383	88.4
61.98833	12.8
67.01902	1.7
69.03445	1.9
69.15904	6.4
69.16331	5.5
71.01390	51.1
72.99297	4.3
73.02946	9.8
77.69219	1.5
83.01372	6.1
83.05006	2.8
85.02961	18.7
86.28684	1.2
87.00881	7.4
89.02448	63.8
91.86310	1.3
93.03474	1.9
95.01418	2.4
95.05017	1.7
99.00867	5.3
99.04560	1.7
100.74461	1.6
101.02448	35.3
107.01396	1.6
109.02950	1.8
111.00861	1.5
112.83754	1.2
113.02464	25.4
115.04009	1.3
119.03510	26.3
125.02454	3.5
129.01945	3.0
131.03516	31.8
132.02272	2.1
133.02914	3.0
135.04512	1.5
143.03494	6.9
149.04573	13.8
151.00397	2.5
155.03497	1.4
161.02518	8.4
161.04561	12.5
173.04520	4.5
173.05965	1.9
178.99806	2.7
179.05647	14.0
179.49594	1.6
191.05620	15.3
211.03976	2.1
211.13400	3.4
214.06255	1.7
218.75795	1.6
223.13321	2.4
227.03517	35.7
228.03810	1.8
229.04988	2.2
229.14348	3.0
241.01494	1.9
245.08189	1.5
253.09282	8.0
255.03004	70.8
256.03473	8.1
269.04333	1.5
269.17462	2.1
271.02560	2.2
283.13333	2.2
284.03281	100.0
285.03903	23.8
286.04285	3.9
287.04599	5.4
301.14490	1.8
309.14999	1.7
311.13071	2.1
324.06390	1.6
327.15842	3.6
327.21765	22.3
328.21967	1.3
345.17117	2.7
349.73853	1.4
363.05502	1.5
371.15018	4.6
371.20712	46.5
372.20889	2.0
389.15997	2.8
401.25601	2.0
503.25089	16.0
504.24927	2.0
519.29877	3.2
563.13947	65.4
563.27728	10.2
564.14258	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25206	1.0
57.03450	2.5
58.00595	2.3
59.01383	62.1
61.98838	12.2
62.23203	0.9
69.03467	1.0
69.09119	8.6
71.01386	41.6
72.99308	3.1
73.02953	8.3
81.03479	1.1
81.24619	1.0
83.01395	4.0
85.02946	13.8
87.00892	1.9
89.02451	46.0
95.01407	3.2
99.00903	3.0
101.02448	27.1
102.35987	0.9
107.01394	1.6
111.04461	1.0
113.02454	16.4
119.03516	13.6
121.76382	1.0
125.02474	2.3
129.01955	1.1
131.02531	1.8
131.03510	17.8
143.03506	3.4
149.04572	11.7
151.00418	1.2
159.02991	2.4
161.04573	10.7
178.99933	1.2
179.05646	10.6
191.05588	7.0
201.11363	3.1
211.04030	1.9
213.98438	0.9
227.03513	31.3
228.03903	2.1
229.05003	2.1
241.01450	1.1
255.03003	70.2
256.03604	7.7
257.04599	2.2
269.04547	2.1
284.03271	100.0
285.03925	18.2
287.05649	1.2
299.01938	1.3
311.09473	1.2
371.20743	57.0
372.21228	4.0
399.07211	1.7
401.16904	1.4
431.23062	1.6
489.26956	1.1
503.25085	17.8
504.25302	1.8
519.35803	1.6
563.14142	67.5
563.31146	6.6
564.14490	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
57.03454	2.6
59.01097	2.2
59.01381	32.5
61.98819	1.7
62.01207	1.1
65.00314	1.3
67.29861	1.2
68.99844	9.3
69.00249	3.1
69.03439	2.6
71.01389	33.1
72.70180	1.1
72.99299	4.3
73.02953	8.9
83.01398	5.2
85.02956	14.5
87.00868	4.4
87.04521	1.8
89.02469	5.9
92.88705	1.2
93.03477	2.3
95.01402	2.6
97.02953	8.6
98.21716	2.0
99.00886	4.7
101.02455	23.2
107.01380	2.4
111.04530	1.4
113.02461	15.1
125.02448	1.8
131.03508	11.9
132.02158	2.2
137.02534	1.5
137.06049	1.2
143.03491	2.4
149.02402	1.4
149.04576	3.1
151.00449	1.8
159.02995	2.8
161.04564	21.1
165.09402	1.1
173.04572	2.8
178.99896	1.9
179.10716	1.3
187.03998	3.1
191.05621	19.5
202.50313	1.1
211.04047	2.3
227.03511	40.0
228.03885	2.7
229.05098	3.0
255.02992	72.2
256.03531	7.8
257.04684	2.8
269.17603	2.4
284.03293	100.0
285.03946	27.9
286.04416	2.1
327.16129	1.5
345.17157	1.4
371.15393	4.0
371.20752	49.6
372.21121	2.8
385.13589	1.3
396.21802	1.5
401.19836	3.1
415.19757	1.8
447.20172	1.8
499.23416	1.5
503.25027	18.4
504.25049	1.7
525.33759	1.3
527.23645	1.4
545.23761	4.6
563.14093	68.9
563.24200	6.9
564.14685	10.5
564.22632	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48797	0.7
55.01862	2.0
57.03429	1.8
58.00599	0.9
58.93100	0.7
59.01385	42.9
61.98809	2.6
69.04987	2.0
69.05383	5.2
71.01388	38.1
72.99306	1.7
73.02951	14.0
75.00865	0.8
83.01399	6.0
85.02480	1.4
85.02959	18.3
87.00855	1.7
89.02447	9.9
91.78559	0.8
95.01378	2.7
97.02964	1.2
99.00885	6.5
100.53741	0.7
101.02446	35.2
102.57657	0.8
113.02462	17.5
119.03484	1.1
125.02442	2.5
129.01962	0.9
131.02563	1.2
131.03510	20.4
143.03491	2.1
149.04543	3.4
159.03021	3.6
161.03256	1.5
161.04562	25.0
191.05589	1.9
209.15479	1.4
269.11572	0.9
371.20740	100.0
372.21042	6.0
415.19888	0.9
503.24991	18.1
504.25162	1.8
542.94427	0.9
545.49695	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30334	0.7
57.03437	1.2
58.00587	2.2
59.01383	100.0
60.01707	1.1
61.98833	0.9
67.47446	0.7
69.54322	5.7
71.01386	43.5
72.99298	1.8
73.02940	4.6
77.19746	0.9
77.86868	0.8
83.01379	2.0
85.02961	7.8
87.00877	1.0
89.02451	72.9
98.21734	1.1
99.00888	4.6
101.02454	28.8
113.02462	11.2
119.03517	8.9
125.02473	2.4
129.01944	2.7
131.03511	56.7
132.03821	1.3
140.56845	1.0
143.03516	3.0
149.04567	61.6
156.85628	1.0
161.04607	2.2
170.35135	0.8
173.04564	0.9
179.05620	6.6
191.05629	34.4
192.06000	1.0
221.06709	4.3
232.07115	0.9
241.01355	3.1
245.00835	1.9
251.07808	3.9
269.04584	3.3
270.01620	3.1
271.02341	2.3
298.01309	2.0
299.01926	3.9
311.09778	1.5
371.20599	1.3
431.22879	1.6
503.25226	1.2
563.10577	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03444	1.3
58.00584	1.7
59.01382	100.0
69.30023	1.6
69.30421	6.9
70.74875	1.0
71.01385	38.5
72.99301	1.8
73.02930	4.3
73.33848	1.0
73.64267	0.9
75.39645	0.9
83.01389	3.0
85.02952	7.3
87.00857	1.4
89.02448	68.4
99.00890	3.6
101.02450	29.8
113.02457	14.5
119.03501	13.8
125.02449	2.7
129.01961	1.9
131.03510	47.9
143.03552	4.8
149.04570	40.3
161.04559	4.9
179.05624	17.6
191.05621	23.5
210.18025	1.0
221.06689	2.8
222.65247	1.1
228.39729	1.0
250.42584	0.8
251.07700	2.8
311.09924	1.2
371.20761	10.3
405.62372	1.1
503.25037	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25206	1.0
57.03450	2.5
58.00595	2.3
59.01383	62.1
61.98838	12.2
62.23203	0.9
69.03467	1.0
69.09119	8.6
71.01386	41.6
72.99308	3.1
73.02953	8.3
81.03479	1.1
81.24619	1.0
83.01395	4.0
85.02946	13.8
87.00892	1.9
89.02451	46.0
95.01407	3.2
99.00903	3.0
101.02448	27.1
102.35987	0.9
107.01394	1.6
111.04461	1.0
113.02454	16.4
119.03516	13.6
121.76382	1.0
125.02474	2.3
129.01955	1.1
131.02531	1.8
131.03510	17.8
143.03506	3.4
149.04572	11.7
151.00418	1.2
159.02991	2.4
161.04573	10.7
178.99933	1.2
179.05646	10.6
191.05588	7.0
201.11363	3.1
211.04030	1.9
213.98438	0.9
227.03513	31.3
228.03903	2.1
229.05003	2.1
241.01450	1.1
255.03003	70.2
256.03604	7.7
257.04599	2.2
269.04547	2.1
284.03271	100.0
285.03925	18.2
287.05649	1.2
299.01938	1.3
311.09473	1.2
371.20743	57.0
372.21228	4.0
399.07211	1.7
401.16904	1.4
431.23062	1.6
489.26956	1.1
503.25085	17.8
504.25302	1.8
519.35803	1.6
563.14142	67.5
563.31146	6.6
564.14490	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	9.6
61.98837	16.3
69.00945	100.0
69.11566	38.5
74.89815	5.3
92.07948	5.1
98.22543	12.4
103.89218	4.9
107.26297	5.0
128.08571	5.4
167.39777	5.6
223.42001	5.1
227.03525	10.2
246.13680	5.2
255.03018	18.3
266.17511	5.1
268.09103	5.2
280.38599	5.5
284.03256	17.2
469.70508	5.3
563.14044	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2864
Annotation	Daechuine S10
Peak:m/z	Relative Intensity
54.48130	0.8
57.03444	3.6
59.01376	7.8
61.98835	4.2
69.03442	2.5
69.13605	4.8
69.14034	4.5
70.38922	1.0
71.01392	5.2
71.05514	1.0
72.99313	13.9
73.02947	3.3
75.00868	3.1
81.03474	2.0
83.05023	18.7
84.02168	1.1
85.02955	5.7
87.00880	42.8
89.02443	3.1
89.04649	0.9
93.03456	5.0
95.05016	1.1
95.08675	1.6
96.80031	1.0
97.02953	1.4
97.06613	1.7
99.04510	2.4
101.02456	2.1
101.61300	1.0
107.05047	3.1
109.02984	1.4
111.04559	2.9
123.04551	0.9
123.08163	1.0
127.04018	17.9
135.04512	0.9
137.02446	3.1
139.07654	57.1
140.07945	1.5
155.03543	2.2
159.04539	1.7
172.05263	1.1
173.04568	15.6
173.06042	2.7
174.06877	1.7
175.04034	1.9
175.07581	2.8
176.04662	1.2
185.08202	10.3
186.06978	2.2
187.07652	4.7
188.04732	1.4
189.05583	2.3
191.05630	11.4
201.05573	4.2
201.09251	2.6
203.07114	6.5
204.07892	1.7
205.08746	2.3
214.06406	3.3
215.07114	5.6
217.08728	1.2
218.09460	2.1
219.10237	1.9
227.03526	5.6
229.08652	6.1
230.09480	4.5
232.07430	1.1
233.08253	3.2
246.27187	1.1
247.09773	11.6
248.10460	3.1
255.02989	10.7
256.03561	1.4
274.08640	1.4
284.03244	14.9
285.04031	2.3
297.14920	0.9
297.18625	1.2
327.16351	1.3
337.21695	1.7
371.14835	1.5
381.20807	3.6
389.16049	8.0
399.21951	1.4
464.73474	1.3
469.21851	1.5
473.29324	1.8
487.23514	2.0
501.28439	1.7
527.26361	1.1
545.19983	1.8
545.27625	12.1
563.14008	12.4
563.28656	100.0
564.14246	2.1
564.29010	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04333	0.6
69.28928	0.9
78.95909	76.9
81.20425	0.7
83.64829	0.8
96.96974	6.5
98.21825	1.7
99.52866	0.7
117.48919	0.7
127.11274	0.9
139.09422	0.7
150.98085	2.3
152.99596	62.9
162.99535	0.8
171.00610	1.0
171.10284	41.6
172.10625	1.0
177.63176	0.7
193.61761	0.8
242.83218	0.9
255.23306	100.0
256.23691	5.2
307.09515	9.5
325.10541	2.4
391.22580	30.1
392.22971	1.6
400.89828	0.8
409.23590	18.1
563.33545	12.4
564.33728	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85270	1.4
55.55450	1.4
69.10113	7.5
69.10527	3.2
78.95919	1.6
81.03468	2.3
95.70047	1.3
98.21796	3.3
109.02949	9.0
120.05800	1.5
124.01655	5.8
125.01534	2.9
125.02457	52.5
126.02810	1.8
126.35941	1.3
135.04524	2.7
137.02455	28.1
138.03217	3.5
139.04013	6.0
150.03287	3.2
151.04036	7.4
152.04808	10.8
156.26929	1.5
163.07660	3.3
164.04802	28.3
165.05580	11.7
167.07141	5.5
179.07147	18.3
184.03821	3.3
189.05635	2.0
191.07129	2.7
203.07120	2.9
204.08041	1.6
205.08606	2.2
206.05737	1.5
285.11334	2.3
285.22278	12.8
301.10889	1.6
331.15411	1.8
359.15048	41.9
360.15326	2.9
489.30304	15.0
504.32480	9.8
519.34833	72.2
520.35089	5.4
545.32794	21.0
546.33264	2.3
563.33820	100.0
564.34143	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.338
Annotation	Manzamine E
Peak:m/z	Relative Intensity
51.10313	3.6
61.29203	3.8
69.11190	9.9
69.11593	19.8
73.26000	3.8
79.93066	3.4
109.02976	13.0
123.00953	4.3
124.01662	14.8
125.02451	100.0
126.02773	4.1
137.02472	44.6
138.03278	5.6
139.04033	6.9
150.03270	6.0
151.04073	9.6
152.04791	14.4
152.99651	6.0
163.07700	7.7
164.04828	47.6
165.05603	20.7
167.07156	9.3
169.39511	4.1
179.07130	35.8
180.63297	3.6
184.03816	7.9
191.07141	8.5
203.07228	4.3
204.07907	5.3
205.08565	4.0
285.11395	5.3
285.22281	31.7
331.15613	6.2
331.87646	4.1
359.15002	85.2
360.15274	7.3
489.30191	26.2
504.32397	13.9
519.34784	71.9
520.35120	5.7
545.32477	11.4
563.33698	94.6
564.34039	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18707	1.8
59.91711	1.9
64.63351	1.7
64.95062	1.5
69.04322	8.2
69.04739	8.2
74.53333	1.6
78.95909	20.4
98.21738	3.4
106.46289	1.7
125.11717	2.0
136.47330	1.5
152.99590	5.9
179.18425	1.5
224.06947	4.8
242.07933	2.5
281.24887	100.0
282.25247	6.2
325.32932	1.8
505.29340	22.1
506.32556	68.7
507.32758	6.5
549.36401	2.0
553.51270	1.7
581.93365	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09564	1.0
59.90908	0.9
61.98819	1.3
68.77274	0.8
69.25325	6.7
78.95917	6.1
131.42709	1.0
152.99619	3.3
168.04337	1.4
242.07988	2.8
260.14377	1.1
281.24878	100.0
282.25220	6.2
315.37680	1.0
451.11545	1.0
506.32516	28.6
507.32535	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18748	3.2
59.01095	5.2
59.01383	100.0
61.98824	14.7
65.22985	3.6
67.05238	4.0
69.41865	8.6
69.42272	14.0
71.01382	64.2
73.02953	4.1
85.02952	13.3
87.00864	10.0
89.02456	98.0
101.02457	29.9
113.02457	26.2
119.03506	29.3
125.02448	6.1
131.03508	6.2
137.02480	5.4
141.68419	3.3
143.03496	6.3
151.00334	4.2
151.04030	5.1
157.75029	3.4
161.04550	8.6
179.05597	19.5
188.37306	3.4
190.86934	3.6
241.05037	5.7
255.03152	4.0
269.04593	11.8
282.24527	4.0
283.09677	20.2
295.06030	5.1
295.09641	6.1
300.02695	6.6
311.09247	53.2
313.11005	4.3
323.78848	3.8
325.10748	10.3
326.08081	7.1
326.11618	29.6
341.10196	8.2
341.13885	55.6
371.11343	3.5
372.11749	8.5
373.22217	10.7
373.30978	4.0
385.13037	17.3
565.14563	5.1
565.22821	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	60.9
61.98820	7.3
68.43441	5.2
68.72475	5.3
69.01225	56.9
71.01385	51.3
73.02946	10.3
79.06020	4.7
79.89669	5.2
83.01366	6.0
85.02954	17.2
89.02452	40.5
93.03477	5.7
95.01419	5.9
101.02457	45.6
105.31241	4.9
109.02962	6.0
113.02449	17.1
119.03482	7.2
125.02456	10.0
131.03525	17.2
131.27576	4.8
135.99899	5.6
143.03467	8.3
149.04527	21.6
161.04552	17.9
171.34708	5.6
191.05605	12.0
211.06166	5.2
297.10684	6.0
298.58997	6.0
309.35947	5.2
341.14093	7.4
344.12778	8.1
359.14957	42.4
389.21732	32.4
403.13312	7.4
433.24405	7.5
489.66653	5.3
510.98160	5.7
521.20056	100.0
521.26471	15.4
522.20404	10.7
564.27136	6.5
565.28125	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.34800	5.4
69.26962	37.3
71.01393	46.2
73.02943	13.9
85.02960	20.2
89.02444	51.0
96.96033	12.1
97.51498	5.6
98.22485	9.6
99.00824	6.8
101.02432	38.3
113.02454	19.4
119.03510	17.1
131.03500	48.6
143.03534	5.6
149.04543	32.3
161.04562	11.9
179.05630	13.6
191.05621	23.7
194.87415	5.5
255.03033	9.8
271.02438	16.9
300.02744	31.4
314.11737	8.9
329.13882	22.3
341.13922	15.2
373.13016	14.7
373.22318	37.9
403.17712	9.8
459.47855	5.9
505.26459	35.8
565.12054	22.0
565.22778	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67074	3.2
59.01385	35.8
61.98829	18.3
65.63056	3.2
71.01387	59.4
71.50504	3.8
73.02953	19.9
83.01412	9.4
85.02981	22.7
89.02445	21.8
93.27354	3.3
95.01415	4.1
96.96019	4.7
97.16213	3.0
99.00894	8.3
99.66164	3.1
101.02461	41.8
107.04186	3.6
113.02475	20.2
121.04964	3.5
122.22816	3.7
125.02523	3.7
127.28068	3.8
131.03526	28.0
133.16461	3.1
142.20062	3.2
149.04535	7.3
155.10872	4.3
157.78772	3.1
159.03072	4.8
161.04590	39.4
191.05641	10.6
227.16547	9.2
389.21811	100.0
390.22256	6.4
403.14304	6.1
453.32175	3.6
521.18829	6.7
521.26031	76.5
522.26129	8.8
554.47888	4.1
565.16095	6.5
565.29492	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
59.01383	28.1
68.25177	1.5
71.01385	41.7
73.02952	10.0
83.01392	5.5
85.02956	15.0
87.00870	5.2
89.02453	23.1
89.16965	1.6
91.41206	1.5
93.03481	1.7
95.01355	1.9
96.94759	1.3
96.96019	21.0
97.02967	1.6
98.95621	2.4
99.00889	4.4
101.02455	23.8
111.00854	1.3
113.02457	16.0
115.00388	3.8
119.03500	4.0
125.02472	2.7
131.03520	3.9
135.13628	1.3
136.02011	1.6
143.03491	5.2
149.04559	6.0
155.10745	1.8
159.02997	1.3
161.04579	20.9
161.09744	1.5
175.02519	5.9
176.02788	2.0
179.05612	1.6
179.10782	7.6
179.13187	1.6
181.01479	2.9
191.05667	4.8
196.03749	4.4
211.06139	7.7
215.49159	1.5
223.09749	20.3
385.15225	5.0
388.12494	1.6
389.21814	100.0
390.22226	7.9
403.16061	13.2
433.24518	1.8
521.25977	24.6
522.25867	1.9
523.60272	1.8
565.21222	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26051	1.6
59.01386	23.0
69.27020	14.6
71.01388	47.1
72.25379	2.3
73.02959	16.5
82.04013	1.8
83.01402	7.5
85.02946	18.5
87.00856	2.1
89.02441	13.2
95.01391	4.4
96.95988	4.3
98.21797	4.2
99.00903	9.3
101.02456	28.7
108.64301	1.9
109.38348	1.6
113.02460	18.3
116.73265	1.8
119.03530	3.6
125.02465	3.9
129.01955	2.5
129.55392	1.8
131.03517	29.0
132.03827	1.9
135.04561	4.6
138.01936	1.8
143.03517	3.5
149.04517	2.5
159.03003	2.1
161.04547	32.6
182.18269	1.6
185.04919	1.6
191.05650	2.6
195.06804	2.2
227.16432	2.0
288.92709	2.1
293.08865	2.9
329.10059	2.4
341.91989	1.8
389.21814	100.0
390.22052	9.3
433.24686	2.4
521.18896	3.3
521.26111	43.2
522.26202	3.1
564.19952	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72152	2.3
57.03437	3.0
59.01388	40.8
61.03312	1.8
69.03444	18.6
69.03843	3.7
71.01387	53.7
71.05026	3.5
72.01708	3.3
72.99304	2.3
73.02961	12.6
83.01385	5.6
83.25227	2.1
85.02964	18.7
87.00871	3.0
89.02454	30.3
89.78501	2.1
91.79253	2.2
95.01405	3.6
96.96011	11.5
97.02983	3.7
99.00899	9.0
101.02454	31.7
109.02982	2.9
113.02457	22.5
119.03507	6.5
125.02449	6.8
131.03511	17.8
135.04549	5.1
139.07672	2.8
143.03494	3.9
149.04547	7.3
151.11270	2.4
153.09265	3.2
155.10799	9.1
159.03055	4.1
161.04582	34.3
162.72983	2.1
175.02519	2.3
179.05647	5.0
179.10799	3.3
191.05620	11.7
223.09764	6.4
227.16544	23.6
228.16859	2.6
269.13901	2.1
293.08798	3.5
306.20660	2.4
356.71942	2.2
387.20230	3.6
389.21869	100.0
390.22198	6.8
403.15970	4.8
433.20374	3.2
519.24469	4.9
521.26025	46.6
522.26392	5.6
564.26550	3.0
577.33051	2.4
577.72308	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22231	1.2
60.54559	1.6
61.02449	1.4
61.98836	100.0
69.50148	6.6
83.00940	1.2
117.03429	2.9
145.02948	10.1
146.03293	3.3
160.84227	2.7
162.83955	9.7
203.71968	1.3
226.33632	1.4
243.21123	1.2
383.11469	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04479	1.7
61.98835	100.0
71.30981	3.2
74.17956	2.1
87.96469	1.7
96.96057	2.6
200.50488	2.2
252.92381	1.7
263.57779	2.0
476.67038	3.2
521.29016	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0483
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96418	0.7
70.33259	0.9
70.33609	0.7
78.95909	100.0
82.85524	0.3
83.43339	0.3
96.96062	3.1
96.96968	36.7
109.49129	0.3
111.02010	9.0
111.24406	0.3
120.96938	1.9
130.55519	0.4
138.98012	2.8
150.98035	2.7
158.91237	0.8
158.92557	15.0
174.98013	1.0
176.93646	1.1
178.95056	0.4
192.53523	0.4
192.99045	1.4
211.00153	3.9
238.30856	0.3
241.01186	9.2
259.02240	0.7
272.95761	4.5
280.02286	1.7
299.88394	0.5
305.01877	1.0
308.88541	0.5
320.97903	3.5
323.02863	72.5
324.03152	2.8
375.14682	0.4
377.81427	0.4
378.81140	1.2
379.81366	1.0
380.80853	3.1
381.81174	0.5
384.98508	4.2
390.51889	0.4
402.99667	1.9
420.82220	2.3
421.32056	0.3
421.82309	1.4
422.82077	3.7
423.81924	0.5
467.75754	0.5
476.76096	1.4
477.26157	0.8
484.73962	0.4
485.76636	2.4
486.26865	1.3
504.95316	0.5
564.83185	1.0
565.04761	20.2
566.04907	1.2
582.84119	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13534	0.5
59.01375	5.4
64.32481	0.5
65.00325	0.9
66.77102	0.5
69.25311	4.4
71.01395	2.8
73.02936	1.1
83.01392	0.9
85.02957	1.7
88.35820	0.5
89.02451	0.7
101.02453	2.5
107.01398	1.0
108.02194	1.1
108.30795	0.5
113.02445	1.5
121.02969	0.9
131.03531	3.1
148.01695	1.0
151.00410	2.9
161.04527	0.9
163.00415	0.9
178.99931	2.8
199.04108	0.8
215.03409	0.6
226.02640	0.8
227.03481	2.8
243.02998	8.5
254.02307	2.2
255.03006	22.0
256.03378	1.2
271.02490	51.5
272.02872	3.7
296.54688	0.6
299.01981	2.2
300.02771	100.0
301.03311	8.9
354.95615	0.5
373.22388	9.0
505.26758	1.5
556.33588	0.6
565.12000	66.7
566.12469	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1202
Annotation	Quercetin 3-apiosyl-(1->2)-alpha-L-arabinopyranoside
Peak:m/z	Relative Intensity
50.79690	0.4
58.97291	0.4
59.01364	1.1
63.02409	0.4
65.00319	0.9
68.25807	0.4
69.27467	3.1
71.01358	0.3
83.01396	0.7
85.02949	0.5
100.40711	0.5
101.02467	0.6
106.58875	0.3
107.01389	1.5
108.02176	2.2
117.11691	0.4
121.02972	0.4
135.00908	0.8
148.01683	1.6
151.00365	4.7
152.01164	0.4
155.97694	0.4
163.00401	0.9
164.01187	0.9
178.99864	4.5
187.03925	0.5
191.00139	0.4
198.03206	0.4
199.03973	1.2
201.01891	0.4
209.73575	0.3
211.04039	0.5
215.03445	0.7
216.04305	0.5
226.02640	1.4
227.03539	2.9
243.02988	11.6
244.03548	1.1
254.02141	2.7
255.02992	30.2
256.03455	1.3
260.83743	0.4
271.02493	64.7
272.02930	4.9
299.01987	2.0
300.02771	100.0
301.03256	9.2
373.22388	1.5
415.06680	1.2
473.49420	0.4
505.26514	0.8
565.12006	67.3
566.12457	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
59.01381	3.2
61.98806	0.5
63.02382	1.0
65.00327	4.1
65.58800	0.3
67.60695	0.4
69.03444	0.4
71.01385	2.6
72.99288	0.6
73.02957	1.6
82.45699	0.3
83.01395	2.2
83.21910	0.4
84.76207	0.3
85.02957	1.6
87.00864	1.8
89.02428	1.3
95.01353	0.6
97.02959	1.7
101.02412	1.2
101.03835	0.3
107.01400	5.8
111.00871	1.0
113.02422	1.0
115.04027	0.7
116.92846	1.2
117.03467	3.5
123.00881	0.8
124.01669	3.2
125.02460	2.8
130.73587	0.3
131.03479	1.3
133.02945	0.5
134.03758	0.9
135.04539	2.5
137.33611	0.4
139.00409	0.4
143.03470	0.9
149.02412	1.2
151.00378	16.9
152.01170	12.5
153.01518	0.6
155.04979	0.4
159.04492	0.5
163.06291	0.4
169.06558	1.0
173.06067	0.4
175.07608	0.5
175.60654	0.4
178.99876	10.6
180.05841	0.6
181.06610	0.7
183.04451	0.4
196.05328	0.5
197.06090	1.5
199.03983	0.7
201.05418	0.5
205.07190	0.6
213.05484	0.4
215.07141	0.4
225.05579	3.8
241.05054	0.8
259.06113	2.7
260.06262	0.4
269.04562	100.0
270.04913	4.9
271.02408	0.6
286.04803	1.3
287.05701	0.6
300.02814	0.8
305.10663	0.3
337.76584	0.4
341.10251	0.6
342.14243	0.4
345.17007	0.5
373.21933	0.5
467.23074	0.8
490.01880	0.3
565.15637	18.7
565.23553	3.0
566.15765	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04451	0.2
55.01876	0.5
57.03446	1.0
59.01384	5.5
60.01709	0.3
61.98835	1.4
63.02390	0.8
65.00330	4.0
65.06328	0.2
68.50909	0.2
69.03455	1.1
69.28703	1.2
69.57683	0.2
71.01385	8.0
71.05029	0.3
72.01713	0.3
72.99318	1.9
73.02953	2.2
75.00873	0.5
81.03427	0.3
83.01395	3.0
83.01864	0.3
83.05018	0.4
85.02959	4.2
86.03302	0.3
87.00903	1.2
89.02453	3.1
93.03477	0.7
95.01412	0.8
95.05009	0.2
96.96027	0.2
97.02956	2.4
97.06580	0.5
99.00889	0.9
99.83927	0.2
99.92596	7.7
100.92606	0.4
101.02452	3.4
102.02824	0.4
107.01398	5.2
107.05069	0.3
109.02943	0.7
109.06590	0.9
111.00905	0.6
111.08132	0.2
113.02464	2.1
114.93452	0.3
115.23708	0.2
116.92870	71.0
117.03458	3.5
117.92875	3.0
119.03542	0.4
119.05024	0.8
120.70118	0.2
120.99660	0.3
121.02933	0.4
123.00893	0.4
123.04525	0.6
124.01685	2.3
125.02460	3.4
125.06095	0.3
127.04031	0.4
131.03511	3.6
131.05040	0.3
133.02980	0.5
134.03787	0.5
135.04544	1.8
137.02492	0.3
137.06078	0.6
139.00401	0.5
139.07701	0.3
143.03557	0.3
145.02959	0.3
145.05060	0.4
149.02507	1.0
149.04550	0.8
149.06042	0.2
151.00380	13.1
152.01169	8.6
153.01740	0.3
155.05038	0.4
159.03264	0.2
159.04549	0.8
161.02457	0.3
161.04587	1.2
161.05864	0.2
163.03976	0.3
163.07607	0.2
163.11304	0.5
165.01903	0.3
165.09261	0.2
169.01434	0.3
169.06622	0.9
171.04567	0.3
172.05266	0.2
173.04732	0.2
173.06119	0.7
174.03221	0.2
177.05618	0.5
178.99867	6.7
179.03531	0.3
179.05585	0.2
179.10797	0.3
180.00267	0.4
180.05820	0.6
181.06590	0.7
183.04538	0.5
189.09253	0.3
191.05624	3.1
191.10745	0.2
196.05296	0.6
197.06120	1.4
199.03999	0.7
201.05623	0.7
205.08487	0.2
213.05635	0.3
215.07121	0.5
224.04669	0.2
225.05589	3.4
227.03506	2.9
227.09254	2.0
228.03883	1.4
229.04036	1.2
241.05034	0.4
243.02971	0.5
243.06682	0.5
255.00471	0.3
255.03027	4.5
256.03360	2.6
257.03537	2.4
258.04257	0.2
259.06152	4.7
268.03561	0.2
269.04562	100.0
270.04944	5.9
271.02499	2.3
271.05594	0.3
284.03262	3.6
285.03738	4.1
285.07648	0.9
286.03873	3.9
287.05652	2.5
299.01944	0.3
300.02789	3.7
301.03455	0.5
313.10663	0.3
326.07999	3.1
327.08585	1.0
341.10309	4.1
342.10907	1.0
356.12619	3.1
357.13428	2.4
371.15002	5.4
371.20703	1.0
372.16013	0.4
372.21140	1.2
373.21887	2.3
385.12817	0.3
385.21945	0.2
387.19968	0.3
388.15341	0.8
390.22363	0.3
403.13074	0.4
403.17859	6.1
403.23230	1.0
404.17868	0.3
433.24265	0.4
447.09683	0.3
467.19254	0.6
503.23315	0.2
505.26187	1.0
519.25549	0.2
521.23669	0.4
522.25531	0.2
523.55115	0.2
537.23425	0.2
547.01929	0.7
547.21912	1.3
565.15070	21.8
565.23163	6.0
566.15930	1.7
566.23572	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34407	1.2
59.01098	1.9
59.01382	36.1
60.01683	1.4
61.98821	2.4
69.06776	1.7
69.07180	11.4
71.01387	15.4
72.99273	1.8
73.02940	4.9
82.55306	1.2
85.02949	4.4
87.00848	1.6
89.02449	24.0
90.70132	1.3
99.00871	2.9
100.70692	1.3
101.02458	13.1
113.02424	3.7
118.25321	1.4
125.02432	5.4
126.99582	40.0
129.01942	1.7
131.03520	24.4
131.08681	4.5
148.35794	1.2
149.04564	15.6
151.00351	3.1
151.03220	4.0
152.01064	1.7
157.80315	1.2
163.07657	5.5
165.04758	10.3
165.36174	1.4
166.02753	7.2
167.03433	2.1
167.06332	62.3
168.06706	2.2
181.05083	8.6
191.05634	19.1
211.05324	100.0
212.05638	3.3
245.33278	1.3
253.06291	2.5
293.08566	1.6
300.02734	2.9
373.12872	2.7
388.15457	1.4
403.17560	22.1
404.17917	1.7
409.25699	1.4
458.14349	1.4
472.14624	1.4
505.14896	2.0
565.35785	5.6
565.82745	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09856	2.8
57.03451	4.5
59.01375	14.1
61.98820	9.3
69.03356	25.9
71.01378	4.6
72.99310	5.5
73.02934	6.4
78.95937	3.2
85.00970	3.0
85.02964	7.2
86.47775	3.0
87.00899	3.3
87.04536	7.3
88.03838	2.4
95.05054	4.4
97.02956	24.9
97.06616	4.9
98.21751	5.5
107.05021	4.9
109.06605	27.8
121.02966	7.8
121.06612	12.9
123.04561	4.7
123.08197	3.5
124.05312	3.2
125.06122	7.9
135.04619	3.9
135.08205	6.8
137.06084	15.4
137.79778	2.8
139.07703	11.1
147.08217	6.7
149.02402	3.3
149.06046	4.0
151.04042	3.7
151.07669	6.3
152.01251	7.6
161.09790	2.9
163.07675	17.4
163.11362	4.3
165.05598	4.6
165.09160	3.6
166.02826	5.1
166.91789	2.9
167.03517	12.9
167.07228	7.3
175.07626	6.0
177.09273	10.5
179.10829	5.4
181.08740	9.8
189.09265	3.5
191.07048	4.2
193.08636	4.0
199.09833	8.2
207.10245	2.9
213.09424	2.7
215.10838	3.0
217.12488	3.4
229.12135	2.6
233.11954	6.4
243.10362	4.2
245.11887	3.8
271.02518	3.0
273.11356	6.2
285.14908	6.8
291.12582	7.5
300.03021	4.6
303.15933	25.7
321.17126	6.2
343.15515	6.8
365.16092	18.3
403.17517	30.1
403.21674	2.7
435.21780	7.7
453.22778	8.0
456.74326	3.0
459.72922	3.1
463.23569	3.1
467.24979	5.4
485.25500	26.8
489.18497	3.0
503.26324	15.9
521.27612	24.2
547.25854	14.6
565.19226	8.6
565.26727	100.0
566.26947	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18323	6.1
59.01397	34.6
61.98827	36.0
68.74786	6.4
69.52438	27.4
71.01371	30.8
73.02972	12.8
76.83701	6.0
78.56461	5.6
83.01398	8.0
85.02953	21.7
89.02433	13.3
91.22077	6.7
92.40585	6.4
101.02464	33.4
113.02466	13.8
128.17802	5.9
137.06071	10.7
161.04549	13.5
217.74672	6.4
373.22351	29.5
388.87277	6.2
403.17538	8.4
505.26605	100.0
506.26892	11.5
527.24902	13.9
565.23608	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.4
58.00577	4.7
59.01382	100.0
69.03599	1.2
69.03929	14.4
71.01386	74.7
72.99300	5.0
73.02931	1.4
83.01391	4.7
85.02964	11.1
87.00886	7.7
89.02453	89.1
95.01370	4.7
99.00873	1.7
101.02451	30.6
107.01387	4.5
109.02951	1.5
113.02459	26.8
116.92851	5.4
117.03448	3.1
119.03512	35.5
124.01594	2.4
125.02470	3.8
131.03506	5.1
136.01659	6.0
138.28615	1.5
139.04034	2.9
143.03499	5.2
146.03726	2.7
149.04559	3.2
151.00352	13.4
151.04048	9.0
152.01134	3.8
159.04550	2.4
160.05269	4.9
161.04552	5.7
166.02742	9.8
171.04573	1.3
174.03160	1.8
175.04027	2.9
175.07628	2.1
178.99847	2.6
179.05656	12.5
179.07083	2.8
181.05061	9.9
186.03175	1.3
187.03976	2.6
188.04803	5.6
189.01958	1.9
189.05479	1.8
196.05318	1.9
197.06158	1.9
203.03479	5.6
203.07295	1.8
204.04105	2.0
211.06113	5.6
217.05023	4.6
219.06592	2.0
224.04707	1.3
225.05518	2.3
233.08183	3.0
235.03992	1.8
236.04863	2.7
237.05574	1.8
239.07047	2.1
252.04266	3.5
259.06073	2.0
263.03326	1.9
264.04254	5.8
265.05038	4.7
267.06613	8.1
269.04556	52.4
270.04959	3.7
277.05145	2.2
278.05984	1.4
279.06625	12.3
280.04065	8.0
280.07343	7.3
281.04333	2.3
282.08966	2.3
291.06726	3.0
293.04544	1.7
294.05576	3.4
294.08960	16.2
295.06107	17.0
295.09622	5.8
296.06613	2.4
300.02603	1.9
306.08932	2.7
307.06168	5.6
309.07697	8.1
310.08469	21.5
311.09250	3.8
312.09634	2.0
321.07648	1.9
322.08438	2.6
323.09143	2.0
324.09976	4.2
325.07101	3.1
325.10754	35.0
326.11380	4.9
335.09277	2.0
337.10809	5.4
339.08664	2.9
340.09421	2.9
354.10794	1.5
355.11868	12.8
356.12286	3.6
367.11847	3.3
373.12866	3.8
385.12933	92.5
386.13437	7.9
403.14038	5.2
428.46753	1.5
447.88138	1.3
452.19925	1.4
488.01556	1.5
565.14996	8.6
565.22821	1.5
566.15948	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
57.03448	0.7
59.01380	5.8
66.46883	0.5
69.03452	0.6
70.32561	1.8
71.01382	5.7
72.83203	0.5
72.99290	0.9
73.02948	1.7
73.45079	0.6
75.00873	2.7
78.16423	0.5
81.77122	0.6
83.01371	1.2
85.02964	3.8
87.00887	4.2
89.02456	4.2
93.03455	0.8
94.40254	0.6
95.01403	0.8
97.02942	2.1
99.00894	0.8
101.02449	6.9
109.06614	1.0
113.02467	2.7
119.03530	1.8
119.05042	2.6
121.02966	100.0
122.03301	3.8
124.01674	1.0
125.02434	4.0
135.04533	3.5
137.06094	29.2
138.06409	0.7
143.03505	3.5
149.06067	0.6
161.04559	2.1
163.11299	1.0
167.07173	3.9
170.16382	0.6
179.05624	1.5
182.53058	0.5
195.06674	5.6
225.11452	1.0
235.08269	0.7
244.61040	0.6
245.08255	2.3
263.09286	1.2
281.10294	5.2
299.11597	0.7
300.02713	0.7
314.97678	0.6
326.08170	1.0
341.10327	1.7
373.12912	1.4
408.00516	0.6
427.22083	0.6
443.15640	17.7
444.16107	1.9
565.23334	6.8
570.85992	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49376	0.6
57.03453	0.5
59.01380	3.1
61.98813	1.0
62.30106	0.5
71.01374	1.6
71.31384	0.9
72.99285	0.8
73.02932	0.7
85.02942	0.8
87.00873	0.9
89.02448	1.3
96.95983	0.8
97.02945	1.5
101.02461	0.6
109.02966	0.7
109.06623	0.6
116.68076	0.7
121.02959	0.7
137.06033	1.1
150.33916	0.6
152.01161	0.5
179.10793	0.6
181.05066	0.5
191.05646	1.1
227.09286	0.6
241.01482	0.9
242.02332	1.2
242.09538	0.7
252.00684	0.8
253.08905	0.6
255.02982	0.9
256.03705	0.7
257.04456	0.9
269.04538	1.1
269.08136	1.4
270.08954	0.7
271.02341	0.8
271.09686	0.8
281.08255	2.2
283.06302	0.6
283.09604	0.8
285.03928	1.2
286.03729	0.5
297.07709	4.1
298.08463	2.8
299.09335	0.8
300.02524	0.7
301.10754	0.7
308.06741	1.1
309.07733	1.4
310.08420	1.2
311.05612	0.5
311.09375	1.3
312.09955	0.7
313.10553	1.0
314.07846	0.7
315.08780	1.1
317.06631	0.6
324.10059	0.7
325.07352	3.5
325.10779	0.9
326.07962	26.4
327.08752	9.4
327.12509	0.5
328.09326	1.2
329.10300	1.6
330.11047	0.6
340.09497	1.5
341.10315	35.0
342.10983	7.9
343.08218	4.3
343.11740	0.7
344.12704	1.5
345.13422	1.2
355.11887	1.1
356.12656	6.6
357.09818	1.2
357.13617	0.9
358.10574	2.2
372.12112	6.5
373.12933	18.5
373.22482	0.6
374.13379	1.1
387.14514	16.8
388.15149	1.8
402.16827	7.0
403.17941	2.9
444.18835	0.5
519.18640	1.3
519.87854	0.5
535.18176	5.1
547.21307	0.5
550.20581	15.7
551.20770	1.2
565.22900	100.0
566.14941	0.7
566.23230	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01721	0.7
69.03757	2.1
73.13753	0.3
80.42817	0.3
98.22649	0.5
103.19999	0.3
108.41505	0.3
117.40479	0.3
121.02990	0.5
269.08148	1.6
278.68848	0.3
283.09924	0.3
299.09195	1.3
311.09280	1.5
314.11734	2.1
315.12219	0.3
325.11301	0.3
326.11697	1.6
329.13965	6.1
330.14496	0.5
341.14008	2.9
359.15161	0.3
403.17813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55996	0.4
63.99765	0.5
65.32662	0.4
69.33381	2.0
78.16548	0.5
92.04870	0.4
94.94064	0.5
96.93224	0.5
98.22183	1.6
138.03268	0.8
167.11960	0.5
187.07515	0.5
231.06699	0.6
234.36801	0.4
242.02258	0.5
243.06630	0.6
243.10280	1.7
244.03709	0.5
255.02997	1.6
257.04572	1.3
258.01627	1.0
271.06168	0.9
271.09613	0.5
272.03336	2.9
273.04071	2.3
282.05429	0.5
282.08652	0.6
283.06003	1.1
285.07712	0.8
287.05652	9.1
287.09250	1.5
288.06430	2.3
297.07727	1.4
298.08243	1.1
299.09155	1.8
301.07224	0.7
303.12384	0.6
311.05692	0.6
312.10181	1.0
313.10812	2.2
314.11578	1.3
315.08755	3.6
325.07156	1.7
326.07941	5.8
326.11426	0.7
327.08777	4.1
329.10129	0.5
329.13965	0.9
330.10956	1.4
340.09561	1.4
341.10370	7.2
342.10965	3.5
343.08279	2.8
343.11783	0.7
345.13400	3.6
355.12073	3.6
356.12674	5.4
357.09671	0.6
357.13483	6.4
358.10373	3.5
371.14972	7.0
373.12943	39.1
374.13266	3.5
388.15286	16.9
389.15570	1.2
403.17648	100.0
404.17990	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01333	0.4
61.98764	1.3
66.65105	0.3
69.03399	0.3
69.35010	1.7
70.62994	0.3
71.01319	0.4
71.04971	0.3
85.02911	0.6
86.28754	0.2
96.93089	0.3
97.02880	0.9
100.69928	0.3
137.02412	0.5
138.03163	0.6
148.65968	0.3
159.16945	0.3
164.46933	0.3
187.07581	1.0
191.05515	1.0
192.05850	0.6
227.03438	0.6
228.04178	0.5
231.06471	0.4
242.01996	0.6
243.06447	0.4
243.10178	1.2
244.03741	0.3
254.02136	0.4
254.36449	0.3
255.02998	1.8
256.03738	0.4
256.07407	0.5
257.04477	0.9
257.08041	0.3
258.01608	0.8
258.05005	0.3
258.12463	0.5
259.06006	0.3
269.04590	0.7
269.08087	0.3
270.05298	0.9
270.08459	0.3
271.02731	0.4
271.06168	0.6
271.09662	0.7
272.03271	3.8
272.06296	0.5
273.04044	2.5
281.08154	0.6
282.05402	0.3
283.06079	1.3
284.10373	0.4
285.07529	0.5
286.04776	0.6
287.05585	9.4
287.09131	1.8
288.06464	3.3
288.09497	0.5
296.10452	0.5
297.07797	1.7
297.10800	0.4
298.08334	1.1
299.09137	2.5
300.06262	0.5
301.07217	0.9
302.07831	0.3
302.11664	0.5
303.12088	0.4
309.07559	0.4
311.05713	0.4
312.09924	0.9
313.10724	1.8
314.11731	1.4
315.08832	3.9
315.12173	0.4
324.10324	0.4
325.07285	2.1
326.07983	6.4
327.08731	4.6
327.12341	0.4
328.09427	0.7
329.10123	0.5
329.13821	0.9
330.11096	1.8
340.09610	1.7
341.10300	8.4
342.11044	4.0
343.08224	3.8
343.11960	0.6
345.13449	3.6
345.17233	0.5
355.11868	4.5
356.12643	5.5
357.09561	1.0
357.13434	7.3
358.10461	3.7
371.15030	6.8
372.15332	0.9
373.12921	39.6
374.13257	2.9
388.15298	16.9
389.15448	1.5
403.17639	100.0
404.18018	8.7
500.47403	0.4
565.13892	0.3
565.23688	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	23.6
61.29982	20.8
61.98820	19.8
69.39633	100.0
95.86347	21.2
99.04535	20.4
168.41119	19.8
182.76718	17.6
206.20631	20.5
274.98569	17.7
343.19128	41.0
405.50937	18.3
442.93341	21.4
487.27039	18.6
529.28223	98.1
570.00165	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08832	3.6
56.60455	3.7
57.03446	7.1
59.01380	63.9
69.03455	8.8
69.29741	8.1
69.30141	16.9
71.01389	31.7
72.99301	6.0
73.02972	5.5
80.55202	4.4
83.05025	8.9
85.02953	13.2
85.06599	4.9
89.02462	4.4
93.03455	5.4
95.05026	7.6
96.87341	3.7
97.06636	5.8
99.04527	6.8
107.05008	8.7
109.06602	42.0
111.04506	9.6
111.08175	8.4
113.02528	3.8
121.02914	4.9
121.06638	21.5
122.03754	14.8
123.04497	24.0
123.08215	7.4
124.05339	5.3
125.02468	6.9
125.06074	25.2
129.05592	14.2
135.04483	6.3
137.06076	9.9
139.07706	22.6
149.09776	4.7
151.07655	10.7
153.09262	5.5
161.09839	6.0
163.04005	8.8
163.11269	10.9
166.40463	3.9
167.03546	4.9
167.07074	12.2
167.86981	3.8
173.06215	4.8
175.03992	12.5
175.11258	4.9
177.09187	7.2
179.10788	7.4
181.08652	5.5
183.10246	5.2
189.05579	5.3
191.10802	13.9
201.09277	4.7
207.10226	8.0
209.11836	31.7
219.10190	7.7
223.13437	11.9
231.10376	5.2
233.11893	8.9
237.11467	12.3
241.14478	46.8
261.11258	11.7
279.12396	9.7
291.15839	6.7
295.15506	13.0
300.02753	4.9
313.16290	8.4
319.11832	9.0
443.24454	8.7
501.24969	6.3
503.16904	6.6
503.26437	5.7
521.27686	9.7
547.26056	4.8
565.27002	100.0
566.26819	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10737	1.5
57.03454	5.0
58.30368	1.5
59.01381	14.4
61.98838	5.0
67.01882	1.5
69.03456	6.2
69.40503	5.2
69.40914	4.6
71.01389	12.5
71.05025	1.6
72.99322	4.7
73.02962	7.0
83.01407	3.7
85.02958	10.7
87.00890	3.8
87.04542	5.8
89.02473	4.1
93.03497	3.1
95.05068	4.2
97.02973	8.4
97.06628	3.7
98.21876	3.4
98.22491	3.6
99.04524	2.3
101.02479	7.2
107.05046	7.5
109.02962	3.4
109.06599	39.9
111.04527	2.0
111.08163	3.5
113.02508	3.4
113.06179	1.6
121.02998	10.1
121.06618	11.5
122.03825	1.9
123.00880	1.6
123.04571	7.2
123.08183	3.2
125.02512	2.2
125.06146	11.1
131.03545	3.1
132.19800	1.6
135.04596	3.2
135.08199	4.0
136.05333	1.8
137.06084	9.0
137.09760	2.3
139.07664	17.5
145.06654	2.3
147.08208	5.2
149.06128	5.5
151.04120	1.7
151.07719	6.1
152.01219	5.9
153.09200	3.1
161.04666	2.9
161.09761	3.7
162.06888	2.5
163.07655	18.7
163.11311	4.3
165.05614	2.4
165.09258	3.1
166.02769	2.9
166.06491	2.0
167.03564	6.1
167.07117	9.4
173.04695	2.2
173.06123	2.3
175.07715	4.0
177.09241	11.3
179.10861	4.4
181.05139	3.5
181.08725	11.0
189.09290	4.6
191.05688	4.9
191.07219	2.6
191.10667	2.4
192.07875	3.8
193.08643	2.4
199.09758	17.1
201.09196	2.3
205.08620	3.8
207.10373	4.3
213.09164	2.1
215.10820	4.0
217.12347	3.1
233.11937	6.0
235.13573	3.6
245.11887	3.6
251.13013	3.4
261.11127	2.0
263.13037	4.1
273.11441	3.5
285.15146	6.7
289.14383	3.1
291.12363	9.8
297.15002	2.1
303.16028	35.4
303.19336	2.2
315.15982	3.2
321.17160	9.7
327.16116	2.1
345.17194	3.2
347.15439	2.0
365.16061	27.8
403.17654	27.3
404.18225	2.9
415.21243	3.5
417.20801	4.3
433.28156	9.6
435.22006	6.4
453.22797	8.3
467.24506	9.3
471.23715	1.8
475.09113	1.7
485.25473	30.1
485.31439	1.6
486.25967	5.3
503.26453	18.4
504.27075	2.9
519.32288	4.7
521.27600	30.1
522.27716	2.9
547.25360	4.4
556.96942	1.9
565.26758	100.0
565.35718	7.0
566.26782	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.266
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
57.03441	13.1
59.01362	5.9
61.98834	9.7
71.31209	9.4
73.02945	15.2
79.93730	4.5
85.02942	8.5
87.04525	57.6
109.06597	31.4
118.92192	4.0
121.06602	16.7
123.04558	6.5
125.06097	11.6
127.54251	4.3
131.03514	14.1
135.04532	58.8
137.06068	23.0
153.05551	4.3
167.07164	19.7
177.09247	9.7
179.10783	9.2
245.11830	4.7
257.11737	7.1
275.12900	4.9
403.16653	5.4
415.21127	10.4
427.21252	5.3
433.22116	4.6
445.22363	14.2
473.21652	8.3
485.25497	8.6
487.81320	4.7
530.07593	4.5
533.24225	14.0
547.25342	21.7
565.12769	5.5
565.26624	100.0
566.26819	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2654
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
53.36879	1.0
57.03452	7.4
58.00605	1.5
59.01385	12.7
59.53701	1.0
61.98833	1.6
63.32708	1.2
69.03452	3.3
69.91087	1.9
69.91479	1.9
71.01389	8.3
72.99311	1.5
73.02952	15.1
75.00863	1.9
81.03463	1.7
83.05031	3.0
85.02977	6.7
87.00884	1.4
87.04508	8.5
89.02453	17.2
94.04227	2.3
95.05052	1.4
97.02954	1.8
97.06609	2.3
98.03770	1.4
98.22417	1.5
99.04524	2.5
101.02453	2.8
107.05016	2.5
109.06599	93.8
110.06949	3.0
113.02500	2.3
119.08710	1.3
121.06616	3.3
121.52581	1.0
123.04549	2.8
123.08151	1.8
125.06082	10.3
126.99557	1.8
127.07699	2.7
131.03505	2.3
135.04546	2.0
135.08122	2.3
135.87071	1.0
136.75948	1.1
137.02469	1.2
137.06105	6.5
137.09756	2.2
139.07683	4.8
145.10260	1.1
147.08228	1.7
148.08960	1.3
149.09695	1.8
151.04102	0.9
157.06703	1.8
159.08163	1.5
161.09721	5.3
163.07721	2.0
163.11301	22.5
165.09169	1.9
167.03569	1.2
167.06346	1.6
171.08189	2.2
173.09669	1.6
174.06889	2.1
175.07664	2.3
177.09161	2.4
179.10809	3.8
187.11319	1.3
189.09218	3.3
193.05048	0.9
193.08710	1.3
194.09491	4.7
198.95963	1.0
201.12807	1.2
203.10695	1.7
205.12303	1.3
207.10277	23.5
208.10669	1.4
211.05356	3.5
217.12408	1.2
231.13947	1.5
235.13394	8.0
241.15987	1.3
243.12367	1.6
245.11908	1.1
257.15573	1.8
264.37219	1.2
267.17477	1.8
275.16702	2.5
277.14508	5.7
295.17004	2.5
297.18503	1.2
307.17142	1.4
309.18619	1.6
315.16028	8.5
327.16095	2.9
333.17090	10.1
347.20181	1.1
365.21402	1.6
369.20822	2.2
373.12915	2.0
375.18085	1.2
383.22400	1.6
385.20294	3.1
387.21729	2.3
403.17377	5.8
427.20645	1.3
433.22437	2.2
445.22580	3.3
453.22983	1.4
463.23401	20.2
463.29440	1.8
464.23917	2.5
467.16907	1.0
467.24112	1.6
468.07791	1.1
485.25461	16.7
486.25992	1.3
493.24237	1.0
503.26746	6.5
521.27582	48.0
522.28003	5.7
529.25067	1.6
537.27319	2.2
547.25598	5.0
565.26587	100.0
566.26917	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2658
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
50.65746	1.4
57.03456	8.3
59.01374	2.3
61.98828	2.4
69.03461	2.5
69.95061	5.7
71.01379	1.6
71.05029	7.9
73.02954	18.2
73.17085	1.1
75.00869	2.6
77.84255	1.4
78.95916	3.0
80.28268	1.2
81.03452	1.9
83.05013	2.6
83.71238	1.3
84.05323	1.3
85.02946	7.2
87.04522	38.8
89.02468	2.2
90.01707	1.3
92.96249	1.5
93.07098	1.3
95.05013	3.2
97.02987	4.2
97.06602	4.0
99.04546	3.2
101.02468	3.0
107.05058	8.0
108.02185	1.6
109.02962	4.6
109.06602	35.8
110.01814	1.5
111.08189	2.0
113.02460	3.6
121.06607	15.2
122.03764	5.2
123.04552	8.7
123.08192	2.7
124.05290	1.4
125.02452	2.6
125.06083	26.3
131.03511	6.0
135.04524	8.8
135.08133	2.2
136.05321	3.1
137.06081	24.1
137.09651	1.5
138.03293	1.7
139.07664	9.9
148.05336	5.6
149.06068	4.6
151.04155	2.3
151.07642	5.4
153.05574	13.3
159.08180	1.6
161.09746	7.7
163.07631	2.4
163.11324	3.8
165.05582	11.6
167.07182	11.2
167.65759	1.3
177.05589	2.9
177.09253	2.0
179.07196	2.6
179.10765	2.5
187.11276	1.7
189.09187	2.9
191.10852	2.9
195.10251	3.8
201.09201	1.7
201.12845	2.0
203.10796	1.9
205.08734	1.5
207.10318	2.1
217.12428	2.7
223.09761	6.2
225.11435	3.1
227.10948	1.6
229.12387	5.7
241.10815	4.5
243.10480	2.4
245.11839	4.7
247.13454	3.9
253.10876	2.8
255.10356	1.7
257.11859	8.9
271.11890	6.8
273.11334	3.2
275.12967	4.6
291.12357	1.6
295.15619	2.6
297.14871	1.6
305.14038	2.0
307.15616	9.0
323.14902	7.1
328.87604	1.5
337.18338	1.7
365.26556	1.4
369.20978	1.7
387.21838	2.8
409.20288	1.8
415.21140	3.6
427.21436	3.9
433.22031	7.2
439.24890	2.2
445.22366	5.8
457.26132	3.1
469.22052	1.9
473.21732	2.7
485.25546	3.1
491.22940	8.8
497.22037	2.8
501.24551	2.9
503.26785	7.4
515.23083	3.3
519.26514	3.3
529.25500	5.0
533.24030	14.7
534.24103	1.7
547.25739	16.4
565.26630	100.0
566.27167	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87000	0.8
55.01878	0.8
57.03455	6.8
59.01384	4.9
61.78288	0.7
61.98846	2.6
66.75645	0.8
68.98257	1.7
68.98663	5.5
69.03454	1.2
69.90215	0.7
71.01398	2.7
72.99329	1.4
73.02953	2.9
81.03471	4.0
83.05045	1.3
85.02993	3.3
87.00900	0.9
87.04521	4.9
87.53395	0.8
89.02444	6.7
95.05087	1.3
97.02992	3.0
98.03757	1.9
98.22521	1.9
99.04548	3.0
101.02460	5.6
107.05074	1.3
109.06598	4.7
111.04565	1.3
113.02528	1.5
114.09367	0.8
116.92881	1.0
119.08700	0.7
120.78353	0.8
121.06598	1.2
123.04570	1.2
123.08195	1.5
125.02477	1.4
127.07679	2.2
135.04601	1.5
135.08194	1.0
137.06136	1.7
137.09743	1.4
138.30907	0.8
147.08122	1.1
149.06180	1.0
149.09724	0.9
159.08199	1.2
161.06023	0.9
163.07677	0.8
163.11316	1.9
165.09241	1.3
166.10216	0.7
171.08212	1.9
173.06070	1.1
173.09790	0.7
175.07729	1.5
187.07808	1.3
189.09383	0.8
195.06725	1.0
271.02713	1.2
281.19135	0.9
283.17325	0.9
295.17090	1.4
297.18668	1.2
300.02884	3.4
313.18311	1.0
323.20331	0.8
365.21152	1.2
369.20981	1.2
373.13116	0.9
385.20398	3.8
387.21829	1.5
403.17468	1.7
432.77502	0.8
445.22308	1.0
463.23315	7.0
485.25613	1.7
503.26862	3.3
529.24744	2.2
547.25787	4.1
565.26752	100.0
566.27100	11.0
586.22443	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	7.4
59.01380	10.5
61.98826	6.6
68.64957	2.3
69.03461	24.0
71.01384	7.9
72.99313	41.9
73.02960	3.8
75.00873	3.0
83.05051	4.2
85.02972	11.8
87.00858	3.4
89.02435	2.8
91.45614	2.3
93.03485	3.3
93.07122	8.5
95.05037	5.1
97.02961	86.1
97.03594	4.1
97.06601	6.4
99.04532	4.2
107.05066	2.9
109.02973	2.9
109.06567	4.4
111.04535	2.9
121.06612	7.6
122.03722	3.6
123.04514	3.3
123.08171	7.2
125.02491	3.8
125.06094	3.2
135.08176	2.7
137.06113	42.7
139.07619	4.1
149.06091	7.2
153.09222	2.7
161.09692	2.9
175.07616	2.7
183.10213	3.0
203.10753	2.9
229.37050	3.0
237.11241	2.6
258.90216	2.6
285.14877	2.7
299.16306	3.9
325.18008	2.6
357.21008	2.7
369.20862	3.1
403.17383	5.0
405.03622	2.6
413.19754	5.1
421.22229	17.2
431.20642	6.5
444.10919	3.0
449.21786	28.5
450.22217	3.3
463.23450	11.3
467.22897	100.0
468.23242	7.6
501.24945	21.0
511.23666	6.5
529.24536	47.8
530.24731	5.4
547.25653	88.5
548.25751	8.6
565.27203	46.0
566.26886	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14806	1.5
57.03450	4.2
59.01382	6.7
61.98833	3.3
67.01883	2.2
69.03458	25.7
69.25650	11.2
71.01402	4.8
72.99318	9.0
73.02956	3.4
75.00878	2.5
83.01449	1.4
83.05035	2.0
85.02941	7.3
87.00865	2.3
89.02467	4.2
90.96786	1.4
93.03470	1.4
95.05025	2.6
97.02959	100.0
97.06590	3.1
98.03270	2.3
98.22594	2.4
99.04549	1.8
99.68732	1.3
101.02460	1.8
107.05052	1.9
109.03007	3.0
109.06594	8.7
111.04614	1.7
113.02561	1.6
121.02992	5.2
121.06596	8.8
123.08182	5.2
125.02457	1.9
125.06112	2.7
127.07729	1.8
133.06636	2.5
135.08154	1.7
137.06087	7.5
139.07668	13.9
142.35840	1.3
147.08261	1.5
149.06139	1.5
151.07677	9.0
161.09796	3.3
163.07695	2.2
163.11368	2.0
165.05646	1.6
165.09212	1.5
175.07713	2.8
177.09346	1.8
185.09621	1.6
187.11388	1.6
191.10887	1.6
203.10806	2.5
207.30890	1.5
211.16138	1.5
217.12411	2.4
219.99178	1.4
225.11099	1.8
245.15605	1.7
255.03027	1.7
271.02686	1.8
300.02753	3.2
307.17142	3.4
313.18283	2.7
325.18146	9.8
343.19397	5.6
344.19724	1.5
361.20660	3.9
367.19446	4.2
373.22278	1.9
403.17233	2.1
403.21707	4.7
421.22296	22.9
423.22092	3.0
431.20819	10.3
441.22989	5.2
449.21762	20.7
450.22885	2.2
455.21048	3.2
467.23041	8.4
483.23965	9.7
501.25003	32.7
502.25748	3.6
519.26007	4.8
529.24518	34.8
529.32233	1.4
530.25366	2.7
547.25824	15.3
565.12482	2.3
565.26758	88.9
566.27283	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66940	0.4
57.03446	1.8
59.01390	8.9
60.72987	0.4
67.01888	1.7
69.03461	24.4
71.01385	3.1
71.31353	0.4
72.99316	13.3
73.02944	1.4
75.00884	0.6
79.05559	0.4
79.16908	0.4
83.01379	0.6
83.05020	3.5
85.02960	5.8
87.00887	2.5
89.02460	0.7
93.07103	1.7
95.05028	1.9
97.02961	100.0
97.06599	1.2
98.03297	1.5
101.02448	2.4
107.05068	0.9
109.06627	2.7
111.04581	1.0
111.08153	0.6
113.02446	1.2
113.06073	0.8
121.06629	3.2
123.04580	0.6
123.08181	1.5
125.06094	1.0
131.03511	4.0
133.06622	1.2
135.04556	0.7
135.08182	1.2
137.06096	5.2
138.71663	0.4
139.07649	4.3
143.05057	0.9
144.05814	1.4
145.06633	0.8
147.08174	1.8
149.09738	1.4
150.30629	0.4
151.07687	0.9
157.06631	1.5
159.08154	4.1
161.04591	0.9
161.05948	0.6
161.09732	0.6
163.07675	1.3
163.11308	0.5
165.09258	0.5
175.07733	1.0
175.11288	0.9
177.09213	2.8
189.09193	0.6
191.10760	0.5
205.08743	1.3
227.14430	0.9
229.12349	0.8
245.15553	1.5
251.09221	0.5
255.14029	0.7
257.15610	0.7
259.13422	0.6
267.13947	6.2
270.12561	1.0
273.15250	0.8
273.18680	0.7
275.16971	0.5
281.15475	0.7
285.15033	9.3
286.15140	0.5
297.14954	1.3
299.16727	0.7
301.18167	0.5
303.16022	6.3
303.19397	0.7
313.18085	1.1
317.17682	1.3
327.16064	8.2
328.16757	0.5
341.10425	0.5
343.19159	2.0
345.17117	5.8
356.12592	0.5
361.20270	4.8
365.16287	1.2
371.15112	0.9
373.12674	0.7
373.17276	3.6
373.22058	4.5
375.18280	1.3
375.67734	0.4
387.21936	0.7
388.15622	0.7
391.17734	1.3
403.17526	1.5
403.21765	7.2
421.22391	13.8
422.22775	1.7
431.20779	2.6
449.21869	20.2
450.22220	1.9
467.23157	0.8
473.22144	1.7
497.93744	0.4
505.26901	1.0
519.26007	10.7
520.26318	0.9
529.24756	2.2
547.25568	26.1
548.26031	3.3
565.26636	79.9
566.26947	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74221	9.9
59.01379	35.4
59.82737	8.8
61.98841	62.4
69.00791	100.0
71.01379	12.7
73.02921	11.5
73.88554	9.1
85.02954	15.6
89.02440	19.4
113.02444	12.7
135.04520	11.2
139.07719	15.3
213.75648	9.4
255.02998	17.7
271.02524	20.9
300.02789	36.8
306.37402	9.3
334.81985	12.6
386.13095	9.2
403.17712	50.8
523.23163	14.4
529.27911	11.9
565.12256	30.4
565.30194	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01831	0.8
57.03368	1.8
57.03617	0.6
59.01303	18.5
59.01642	2.6
61.98751	9.3
61.99101	1.2
63.02338	1.1
65.00246	4.6
69.03401	0.6
69.12332	5.4
71.01297	17.7
71.01733	1.7
72.99239	0.9
73.02863	5.1
76.20241	0.6
81.03403	0.7
83.01390	4.6
85.02956	7.8
86.00034	0.8
87.00814	1.7
89.02448	11.2
95.01302	1.7
97.02888	1.1
99.00905	2.9
101.02448	13.5
107.01404	5.2
109.84631	0.6
111.00827	1.5
113.02446	6.5
116.92780	1.8
117.03471	3.4
119.03432	1.2
119.04939	0.8
121.02876	0.7
123.00745	0.6
124.01585	2.3
125.02485	4.5
127.03938	0.7
129.01811	0.6
131.03502	10.0
134.03642	0.9
135.04428	1.6
139.00290	0.6
141.24649	0.5
143.03445	1.4
145.02892	0.6
145.05048	0.8
149.02466	0.6
149.04532	3.9
151.00374	15.9
152.01146	9.2
159.03012	0.6
159.04454	1.1
161.02390	1.0
161.04555	4.6
172.05232	0.6
173.05959	0.7
178.99869	7.0
181.06531	0.7
183.04485	0.8
184.31580	0.6
191.05624	2.9
196.05191	1.2
197.06020	1.7
199.03922	0.8
225.05540	3.7
226.02847	0.7
227.03432	2.7
228.03947	1.3
229.03947	0.8
233.06639	1.8
241.05055	0.7
243.02917	1.1
255.03027	6.1
256.03333	2.7
257.03574	2.8
259.06110	4.7
269.04556	100.0
270.04916	8.0
271.02530	5.6
272.03113	0.8
284.03326	3.8
285.03632	5.1
286.03818	6.0
287.05435	2.4
300.02753	9.0
301.03113	1.3
373.22318	12.1
433.24557	0.7
505.26627	33.8
506.27194	2.1
565.15472	24.8
565.29791	0.9
566.16119	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01803	2.4
57.03381	1.8
57.03642	0.9
58.00540	1.1
59.01308	50.1
59.01638	6.4
60.01666	0.8
61.59987	0.6
61.98756	14.2
61.99102	1.3
65.00279	1.2
70.05701	0.5
71.01304	35.3
71.01740	3.1
71.32048	0.8
72.01665	0.6
72.99254	1.3
73.02870	12.5
73.03322	1.1
80.21181	0.5
83.01395	7.0
84.02106	0.5
85.02959	18.6
85.03423	1.1
87.00804	2.4
87.42793	0.6
89.02457	9.6
95.01314	2.2
97.02903	1.2
99.00890	6.2
101.02449	34.6
101.03091	1.3
102.02702	1.1
107.01313	2.5
108.02181	1.0
111.00867	1.0
113.02457	16.8
116.92817	1.4
119.03412	1.7
124.94775	0.6
125.02373	1.8
129.01929	1.1
131.03517	31.5
132.02188	1.1
135.00781	1.3
143.03400	2.2
148.01619	0.9
149.04596	2.9
151.00374	4.6
151.03905	1.6
151.05042	0.7
152.00923	0.8
159.03035	3.0
159.04140	0.7
161.04572	16.1
163.00334	1.4
165.01932	0.6
169.01398	0.9
174.02809	0.5
175.07648	0.9
178.99904	4.6
180.00044	0.6
183.04544	0.9
185.02444	0.7
187.03928	1.1
191.05548	1.8
199.03972	0.9
201.05365	0.6
210.30354	0.6
211.03915	2.4
212.04428	1.0
226.02615	0.7
227.03525	24.6
228.03865	16.2
229.04010	13.1
230.05324	1.0
233.08275	0.8
239.03426	0.9
240.03983	0.6
243.03035	5.9
254.02074	0.9
255.03001	51.2
256.03375	32.1
257.03571	31.6
257.17328	0.6
258.04062	3.3
269.04562	2.7
271.02496	26.8
272.02856	2.7
284.03278	53.2
285.03680	50.1
286.03882	56.7
287.04492	9.0
300.02774	49.7
300.05484	0.8
300.06287	1.0
301.03271	5.7
355.11887	1.6
373.22324	83.9
374.22656	5.5
385.13266	0.6
401.07568	0.8
403.13852	0.9
403.23276	2.6
417.21265	0.7
433.24646	1.8
505.26651	14.2
506.26938	1.2
565.14410	100.0
566.14301	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00604	2.4
59.01385	100.0
69.03883	9.6
69.04289	2.2
71.01388	39.3
72.99306	2.5
73.02956	3.6
83.01395	4.6
85.02962	11.2
89.02454	60.8
90.02775	1.3
94.78120	1.0
95.01403	2.0
96.96002	1.2
99.00889	3.3
101.02455	32.0
104.04691	1.2
109.06630	2.1
113.02454	14.2
119.03510	12.0
125.02484	2.4
129.01961	2.2
131.03514	52.2
131.52466	1.0
143.03558	3.2
149.04572	49.0
151.00352	2.1
159.03018	1.1
161.04596	6.7
179.05637	9.4
180.59334	1.0
191.05606	31.3
192.06122	1.4
211.62695	1.0
221.06802	2.5
233.67157	1.2
243.03000	4.5
251.07762	3.1
255.03004	8.9
266.43143	1.1
268.60410	1.1
271.02478	22.9
272.03033	3.6
300.02771	46.7
301.03189	6.3
311.09973	1.7
318.98489	1.2
373.22290	17.0
395.42587	1.1
404.21158	1.1
415.06277	1.3
505.26398	9.0
565.12042	27.8
565.22620	4.7
566.12274	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
57.03447	1.8
58.00599	1.6
59.01384	100.0
69.01520	2.4
69.01934	7.8
71.01386	46.3
72.01711	1.3
72.99300	2.2
73.02955	6.7
77.35881	1.1
83.01388	4.7
85.02952	12.8
87.00861	1.2
89.02451	55.8
93.73844	0.9
95.01399	2.8
99.00903	3.9
101.02456	32.5
107.01444	1.5
113.02465	15.9
119.03499	12.9
125.02489	2.1
129.01978	1.3
131.03517	48.9
133.03003	1.2
133.33827	0.9
138.78363	0.8
143.03508	2.2
147.08289	0.9
149.04573	28.1
151.00418	3.2
159.03026	1.7
161.04578	12.9
178.99872	1.2
179.05602	13.4
191.05629	19.9
194.65492	1.0
216.57509	1.0
227.03392	1.7
243.02986	9.4
251.07735	2.5
254.02122	1.2
255.02980	16.8
256.03293	1.7
270.74936	0.9
271.02475	39.4
272.02875	3.7
299.01935	2.5
300.02768	77.5
301.03326	7.5
371.30389	0.9
373.22330	36.3
374.22797	2.5
391.23880	0.9
482.49454	1.1
505.26556	15.6
506.27277	1.8
565.12024	44.8
566.12299	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.9
57.03437	2.9
58.00580	2.1
59.01385	96.2
61.98833	3.4
62.58319	1.3
69.03407	1.4
69.24311	3.8
69.24733	5.8
71.01386	34.3
72.99300	3.8
73.02954	15.5
75.69516	1.3
83.01423	7.5
85.02953	22.5
85.03427	2.2
87.00892	4.4
89.02448	6.8
91.33073	1.5
91.44177	1.3
95.01404	2.6
97.02977	4.9
98.22274	5.3
99.00897	5.9
101.02454	38.9
109.02948	1.8
113.02457	15.0
118.00157	1.3
125.02458	2.1
129.01955	1.7
131.03519	59.8
143.03497	2.8
145.02974	1.5
159.03052	2.7
161.04539	16.8
191.05684	2.6
191.10840	1.9
203.39522	1.6
214.91077	1.3
219.24210	1.5
240.01593	1.4
249.82214	1.5
273.95035	1.5
284.03220	1.7
289.96198	1.5
296.10315	1.5
297.07809	2.2
312.09964	2.9
329.23138	2.4
339.12479	3.1
355.11972	3.7
373.12729	4.6
373.22333	100.0
374.22617	6.5
388.15424	3.5
403.17633	36.1
403.22543	2.4
404.18253	3.0
463.23517	3.8
505.26627	24.8
506.27286	1.6
537.27118	1.7
547.22754	2.1
565.26239	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.0
57.03447	4.0
59.01387	57.7
61.98827	2.3
67.06422	1.2
68.99593	1.8
69.03458	1.4
69.28202	5.3
69.28613	3.0
71.01389	45.6
72.99324	2.7
73.02954	15.5
78.63880	1.3
79.02528	1.4
79.67300	1.5
83.01406	7.0
85.02480	1.8
85.02954	22.4
87.00869	1.8
89.02452	8.6
93.03480	3.1
95.01406	3.9
95.04947	1.3
97.02939	3.5
98.21806	1.9
99.00903	4.4
100.33877	1.3
101.02454	36.3
111.00823	1.5
113.02468	18.0
114.16667	1.2
125.02444	3.5
131.03519	28.6
134.53088	1.4
135.32405	1.2
137.02460	5.7
137.06186	1.5
143.03500	2.3
149.04552	2.8
159.03000	4.0
159.53102	1.3
161.04565	25.6
172.90979	1.2
216.27429	1.3
220.99454	1.3
235.17044	1.3
239.27519	1.4
360.15469	1.7
373.22327	100.0
374.22592	7.6
403.17999	2.2
505.26605	25.0
506.26627	2.8
522.20361	1.5
565.12500	1.5
565.26074	4.0
578.24170	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19330	0.6
55.01868	3.3
57.03439	2.5
57.34066	0.7
58.00592	0.8
59.01383	61.7
61.98822	2.9
67.21283	0.7
69.09295	6.9
71.01386	33.4
72.99290	1.3
73.02950	13.7
83.01405	6.7
85.02957	20.4
86.00100	0.9
87.00870	1.2
89.02455	6.1
90.48932	0.6
95.01395	2.7
99.00880	6.1
101.02451	33.1
106.01422	0.7
113.02460	16.4
119.03550	0.7
125.02460	1.5
129.01909	0.9
131.03514	38.4
132.03870	0.9
143.03506	2.5
149.04582	1.4
159.02995	3.4
159.49866	0.7
161.04568	20.4
179.05661	0.9
187.43715	0.7
227.03526	2.7
228.03847	2.9
229.04143	1.9
255.02985	5.4
256.03339	4.0
257.03616	4.7
271.02490	3.7
284.03281	6.8
285.03625	8.0
286.03897	8.3
287.04498	1.4
297.19482	0.8
300.02811	5.9
373.22308	100.0
374.22678	7.5
387.99310	0.6
403.23666	0.8
417.21555	1.3
505.26511	19.3
506.26672	1.1
540.94342	0.9
565.14429	16.4
565.28699	1.3
566.12384	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40762	3.2
56.46383	3.1
59.01388	21.4
61.98837	88.9
63.75892	2.9
70.36019	10.8
84.43956	3.0
87.68713	3.2
88.30362	3.2
93.31447	3.5
110.21199	3.2
111.00902	4.4
114.05616	3.4
116.99369	3.3
118.86891	2.8
127.07753	2.8
151.07724	4.5
152.19185	3.2
279.17984	3.0
403.05911	3.4
444.66891	3.2
463.25095	4.5
505.22382	9.0
507.23920	14.0
523.23395	100.0
524.23657	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28240	0.4
59.01381	6.8
61.98835	100.0
69.87203	1.9
71.01379	4.8
72.01748	0.4
73.02968	0.7
85.02972	1.2
85.14896	0.4
89.02457	3.8
89.02980	0.5
90.02796	0.5
101.02446	3.4
113.02450	1.4
113.20366	0.5
131.03545	1.8
131.52275	0.4
133.03987	0.5
149.04605	1.5
150.04913	0.5
151.05194	0.4
161.04675	0.5
179.05626	0.6
191.05647	1.0
227.03296	0.4
255.03004	0.8
256.03510	0.8
269.04581	0.8
271.02563	1.4
272.02817	2.4
285.21304	0.5
300.02737	3.2
301.03110	4.2
375.23700	2.1
434.25024	0.5
506.26117	0.7
507.28064	4.9
566.12335	4.4
567.12329	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28240	0.4
59.01381	6.8
61.98835	100.0
69.87203	1.9
71.01379	4.8
72.01748	0.4
73.02968	0.7
85.02972	1.2
85.14896	0.4
89.02457	3.8
89.02980	0.5
90.02796	0.5
101.02446	3.4
113.02450	1.4
113.20366	0.5
131.03545	1.8
131.52275	0.4
133.03987	0.5
149.04605	1.5
150.04913	0.5
151.05194	0.4
161.04675	0.5
179.05626	0.6
191.05647	1.0
227.03296	0.4
255.03004	0.8
256.03510	0.8
269.04581	0.8
271.02563	1.4
272.02817	2.4
285.21304	0.5
300.02737	3.2
301.03110	4.2
375.23700	2.1
434.25024	0.5
506.26117	0.7
507.28064	4.9
566.12335	4.4
567.12329	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32845	2.7
57.03445	3.6
57.59623	2.7
58.00601	3.2
59.01392	41.7
61.10044	3.1
61.98840	3.1
70.28668	2.7
71.01385	66.9
71.31262	3.9
72.01744	3.1
72.99322	2.8
73.02955	16.4
83.01404	7.4
85.02959	22.1
89.02454	42.7
95.01370	3.9
96.96001	16.0
98.63839	3.6
99.00901	6.1
101.02448	40.6
106.26053	2.8
113.02463	25.4
116.92883	8.9
119.03532	8.1
122.03671	2.8
123.04541	3.3
125.02452	9.7
131.03540	28.5
141.61534	3.4
143.03581	4.2
145.05130	3.2
149.04625	17.7
159.02995	3.6
161.04582	36.1
179.05594	3.9
191.05632	9.1
209.04697	4.1
213.11369	6.2
227.16542	5.2
229.18129	7.4
293.09042	4.9
311.10327	4.8
325.08359	4.7
389.21765	18.8
391.23425	100.0
392.23749	9.0
520.24640	3.8
521.25952	25.0
522.30713	3.0
523.27472	70.9
524.27734	7.8
567.17499	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55874	3.9
59.01383	32.0
61.98836	100.0
69.04195	25.7
69.04621	24.1
70.38463	4.3
71.01382	7.3
73.02941	14.3
83.01366	7.4
83.04993	5.3
85.02969	7.1
89.02441	12.8
101.02471	6.3
113.02438	5.2
113.19530	4.7
125.02475	7.3
135.08139	9.0
135.89334	5.1
142.29991	4.5
151.34108	4.9
161.04608	6.6
161.06041	6.1
163.07597	7.4
207.06662	9.4
312.81598	5.1
359.27951	6.9
369.09772	18.3
375.27036	9.7
419.25992	20.7
463.24722	14.9
481.26074	33.8
507.23831	65.8
525.24695	26.9
531.28253	28.4
567.12677	9.7
567.24432	10.8
567.32324	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.7
57.20867	0.3
59.01381	5.6
61.98837	0.7
63.18231	0.3
65.00336	0.9
71.01389	2.9
71.30321	0.5
71.30700	0.4
73.02972	0.3
79.05489	0.3
81.03461	9.4
83.01385	4.2
85.02958	0.6
87.00844	0.5
88.98841	0.5
89.02456	6.0
93.03467	7.1
93.96325	0.3
95.01403	0.7
95.05038	0.7
97.02953	0.5
101.02454	1.8
107.01399	1.0
108.02143	0.4
109.06580	0.3
111.04539	0.8
113.02478	1.1
116.92892	0.7
119.03589	1.6
119.05037	10.0
121.01852	0.4
121.02940	0.5
123.04538	33.0
124.04887	0.8
125.02458	29.8
126.02819	0.8
131.03487	0.4
135.04524	1.8
137.02449	0.5
147.04492	0.4
149.02457	3.9
149.04562	0.5
151.00395	3.3
161.02487	0.3
161.04503	0.4
163.04007	0.6
166.02652	0.3
167.03505	87.6
168.03854	2.5
179.03500	8.1
179.05687	0.9
179.07118	0.3
180.03929	0.4
189.05534	2.5
191.03528	2.7
211.07661	0.5
229.08687	1.2
233.06569	0.3
255.06584	0.5
273.07700	100.0
274.08072	4.9
283.09796	0.8
286.13358	0.4
297.07770	2.3
298.12411	0.3
302.36841	0.3
311.09293	3.3
315.08655	0.7
326.11594	2.0
339.08704	0.4
341.13925	3.1
375.44003	0.4
419.11917	3.4
420.44727	0.4
530.18652	0.3
567.17133	22.9
567.24530	2.5
568.17456	2.8
568.25049	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	0.6
59.01383	11.0
61.98836	2.3
69.05786	4.1
71.01387	4.1
72.99322	0.4
73.02949	0.7
85.02927	0.8
87.16897	0.4
89.02451	4.9
93.03461	92.0
94.03788	1.3
98.21794	0.7
99.00853	0.4
100.39726	0.5
101.02448	3.4
113.02439	0.8
125.02456	1.2
130.18178	0.4
131.03494	5.3
149.04543	2.5
149.07109	0.4
163.62320	0.4
167.05034	0.4
169.06595	20.0
170.06898	0.7
191.05605	2.8
213.05580	100.0
214.05930	4.5
255.06598	0.4
264.84454	0.4
360.45416	0.4
375.23438	0.5
562.33679	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74113	3.5
59.01094	6.8
59.01385	100.0
61.98832	5.4
65.70708	3.9
69.03450	19.2
69.03948	37.3
75.00909	3.8
78.95917	4.4
81.03479	5.3
83.05032	75.7
85.02972	4.7
92.89731	3.8
93.03456	4.8
97.02969	33.4
98.21865	11.7
101.97585	4.3
109.02949	4.7
109.06625	9.0
113.02467	16.7
119.10192	3.3
121.06580	5.1
125.02556	4.5
126.03245	6.7
127.04031	47.7
135.04533	4.6
137.06075	12.5
147.08188	4.4
153.05574	22.8
211.11354	3.4
266.45877	4.0
291.17392	7.4
305.96814	3.8
309.18686	9.1
325.18381	4.8
328.09470	3.9
353.17508	8.0
369.17102	13.2
383.23608	5.1
393.20850	4.9
397.19778	4.6
401.25055	8.1
405.18158	6.3
409.20215	5.3
413.19705	7.8
419.25784	5.9
427.22269	6.0
445.23526	12.2
449.93967	4.1
463.24857	12.2
479.24228	6.5
489.22876	14.4
507.23828	31.1
525.24866	70.2
526.24976	5.2
529.24536	5.1
567.19464	19.1
567.27032	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87993	12.3
57.39941	14.4
59.01378	40.5
61.01742	12.8
61.98843	75.9
71.01358	19.3
71.29477	15.8
91.75440	15.2
135.04555	15.9
149.02438	21.8
149.06096	26.0
151.04071	26.9
165.05551	27.6
217.12402	17.9
288.73544	17.2
489.22974	33.0
505.18686	35.2
507.23703	21.4
531.28088	47.1
567.26447	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2087
Annotation	Amritoside C
Peak:m/z	Relative Intensity
59.01378	4.9
61.98820	0.9
66.06356	0.8
71.01382	5.4
71.30517	1.0
73.02956	1.7
85.02964	3.4
87.00861	1.0
89.02444	2.3
91.96439	0.8
95.01384	0.9
101.02449	3.9
104.04258	0.9
113.02456	2.5
121.02996	4.5
125.02448	1.5
131.03532	3.0
134.07683	0.8
146.42220	1.0
149.02377	0.7
149.04578	0.9
150.05650	0.8
161.02496	1.0
161.04549	3.3
165.01990	3.8
191.05580	1.2
228.06927	1.0
243.07738	1.0
248.03207	1.3
255.07602	0.9
256.06348	1.0
256.09622	0.7
257.07104	1.3
258.01660	1.2
258.06314	0.9
259.02530	3.7
260.03406	1.0
267.07748	1.5
268.09634	0.8
273.03937	2.6
273.08807	3.5
275.01950	2.3
276.02728	0.9
281.09259	2.6
283.10522	0.8
285.12540	0.9
291.05124	5.3
293.09204	1.8
295.07217	1.3
296.07825	0.9
297.07761	2.9
298.08414	1.5
301.11926	1.6
305.06543	1.7
311.05600	1.2
311.10345	8.7
313.10983	1.2
319.04617	6.9
324.06363	7.8
325.07184	25.1
325.11026	1.3
326.07947	23.5
327.08441	2.9
328.09503	1.4
329.11450	18.4
330.11606	2.1
339.08807	2.3
340.09607	13.2
341.10318	36.1
342.07339	1.7
342.10983	1.6
343.08301	1.5
355.09225	1.3
357.09790	8.1
358.10519	3.8
359.11331	7.9
360.12085	1.3
366.28052	1.1
372.12189	3.1
373.13376	15.4
375.10934	2.4
384.28845	0.8
387.11890	1.6
389.12549	2.5
389.21783	11.1
390.13232	13.6
390.22003	0.9
391.13721	1.2
405.15665	100.0
406.15936	8.6
415.11481	2.5
447.14124	13.1
521.25873	3.3
535.17975	2.9
552.18567	1.5
567.12268	1.1
567.20734	17.2
568.21423	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00575	1.0
59.01103	1.5
59.01385	27.5
62.97319	1.0
63.32283	0.9
70.75365	2.2
71.01387	17.4
72.99326	1.3
73.02949	4.9
83.01394	1.7
85.02950	3.8
87.00874	1.3
89.02460	11.6
95.01415	1.9
95.05071	1.4
95.89186	1.0
99.04531	2.0
101.02453	9.1
102.50505	1.0
109.02986	0.9
113.02449	6.2
119.03497	4.1
125.02464	2.2
135.04498	1.4
137.02452	2.1
149.02501	1.1
150.03181	2.3
151.03995	1.5
161.02466	1.1
161.04594	1.4
163.11278	6.3
165.05562	1.1
173.62157	0.9
179.05539	2.0
181.12361	26.1
201.66397	0.9
207.10316	2.5
225.11339	100.0
226.11688	6.5
239.12791	1.5
243.12294	1.7
249.11230	1.4
267.12424	4.8
267.14816	1.1
348.57663	1.0
356.96390	1.3
375.16721	1.1
387.16571	8.3
405.17682	75.8
406.17914	4.0
420.81216	0.9
447.18680	2.8
507.20801	2.4
567.22986	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48591	1.7
55.01865	3.3
59.01383	100.0
61.98828	3.1
69.12822	17.0
71.01389	72.8
72.99320	3.8
73.02946	16.8
75.00887	2.5
83.01401	6.5
85.02956	31.0
86.00092	23.4
87.00880	30.3
89.02451	31.6
93.03457	2.5
99.00902	7.8
101.02450	42.8
109.03075	2.2
111.00899	3.1
113.02460	25.7
119.03519	17.3
125.02444	2.1
129.01942	4.6
131.03485	2.6
135.04544	3.8
143.03510	5.2
159.03014	8.0
161.04550	49.7
165.09142	3.2
179.05615	8.2
183.10294	5.2
191.05615	8.3
219.10368	2.2
237.11189	2.7
249.10081	2.4
255.12427	5.5
307.08389	2.9
345.15549	51.5
346.16129	2.0
370.41705	2.3
417.17667	39.0
418.18298	2.9
507.20819	68.0
508.21112	7.0
551.19879	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59161	4.2
59.96835	4.4
61.98833	19.9
62.96427	4.2
73.02943	12.5
74.28286	4.4
85.58286	4.7
90.61934	4.3
96.96023	5.0
103.51070	4.4
121.06657	5.5
135.04538	12.9
186.78984	4.4
190.06464	5.0
259.13388	6.5
302.61102	6.2
361.16656	11.8
381.67844	4.9
499.23407	15.8
531.26019	100.0
532.26593	11.8
567.30365	6.0
575.11237	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38646	6.7
50.60828	7.6
51.00462	6.0
54.06200	6.6
57.03437	11.8
59.01375	17.6
61.98819	16.8
69.97316	7.3
71.31181	9.8
85.98593	9.4
87.00895	9.5
96.96032	14.0
135.04498	13.1
152.51999	6.6
161.54349	7.9
166.05502	7.3
178.98601	6.8
334.16962	10.7
361.16663	13.8
469.30188	7.9
499.23416	13.1
531.26086	100.0
532.26611	10.3
567.29681	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38646	6.7
50.60828	7.6
51.00462	6.0
54.06200	6.6
57.03437	11.8
59.01375	17.6
61.98819	16.8
69.97316	7.3
71.31181	9.8
85.98593	9.4
87.00895	9.5
96.96032	14.0
135.04498	13.1
152.51999	6.6
161.54349	7.9
166.05502	7.3
178.98601	6.8
334.16962	10.7
361.16663	13.8
469.30188	7.9
499.23416	13.1
531.26086	100.0
532.26611	10.3
567.29681	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2422
Annotation	Fischeroside C
Peak:m/z	Relative Intensity
62.94107	8.4
70.56501	16.0
76.53275	7.2
78.73741	7.7
99.92593	44.7
107.18130	9.0
111.13174	8.3
115.81783	8.4
115.92099	14.9
116.06737	7.9
116.92870	39.4
145.90031	8.7
149.13875	7.7
537.23126	17.1
549.22986	74.3
550.23010	11.6
567.24231	100.0
568.24487	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2421
Annotation	Fischeroside C
Peak:m/z	Relative Intensity
50.81553	0.8
56.00759	0.8
61.68494	0.7
69.13029	6.2
78.95893	3.1
83.05033	3.0
89.38940	0.8
96.96962	6.2
97.93131	1.2
99.00858	0.9
99.92596	63.7
100.92622	2.3
100.93380	1.5
111.04520	1.8
114.93425	1.1
115.92087	35.5
116.92176	2.1
116.92869	49.1
117.92867	2.5
135.79509	0.8
141.93616	1.0
149.97859	1.0
182.97536	0.8
183.94702	1.2
184.44899	0.9
193.96777	1.0
246.58028	0.8
258.68066	0.8
281.87134	0.9
350.71194	0.9
517.20410	1.4
519.22107	8.8
520.22772	1.5
521.24066	1.1
534.21106	0.9
535.21558	2.4
537.23157	13.0
538.23657	2.0
549.23230	70.5
550.23395	11.4
551.21417	1.1
567.24231	100.0
568.24463	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81553	0.8
56.00759	0.8
61.68494	0.7
69.13029	6.2
78.95893	3.1
83.05033	3.0
89.38940	0.8
96.96962	6.2
97.93131	1.2
99.00858	0.9
99.92596	63.7
100.92622	2.3
100.93380	1.5
111.04520	1.8
114.93425	1.1
115.92087	35.5
116.92176	2.1
116.92869	49.1
117.92867	2.5
135.79509	0.8
141.93616	1.0
149.97859	1.0
182.97536	0.8
183.94702	1.2
184.44899	0.9
193.96777	1.0
246.58028	0.8
258.68066	0.8
281.87134	0.9
350.71194	0.9
517.20410	1.4
519.22107	8.8
520.22772	1.5
521.24066	1.1
534.21106	0.9
535.21558	2.4
537.23157	13.0
538.23657	2.0
549.23230	70.5
550.23395	11.4
551.21417	1.1
567.24231	100.0
568.24463	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.9
61.98848	13.8
69.08585	31.8
71.01389	6.4
71.56960	2.5
81.14986	2.7
98.22578	6.3
98.45673	2.7
109.02875	2.8
125.02465	12.7
137.02452	4.5
138.03229	5.6
151.04109	3.7
152.01163	38.8
153.01953	6.9
164.04831	2.9
165.05563	11.0
167.03534	52.0
179.07196	8.7
181.05127	5.7
185.42487	2.9
231.06120	2.8
327.34714	2.7
390.16879	19.9
405.19235	100.0
406.19409	10.9
421.26138	3.4
567.25238	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	4.3
59.01383	49.9
61.98840	38.5
69.01759	18.0
69.02180	30.0
71.01394	39.6
73.02952	6.3
83.01385	5.0
85.02953	10.1
89.02454	34.4
93.13436	3.8
101.02441	17.4
113.02447	11.2
115.92072	10.2
125.02470	7.4
131.03477	8.6
137.02544	4.8
149.04536	7.6
158.77902	4.0
191.05592	6.4
258.01602	5.1
259.02338	4.4
273.04022	6.0
288.06396	10.6
289.07095	13.6
299.09238	23.3
303.08768	28.9
304.09354	6.4
308.98486	4.7
314.11392	13.2
329.13925	32.5
331.11942	8.1
374.40704	4.4
405.19055	12.5
532.28717	5.0
535.17975	6.5
552.22089	6.0
567.24634	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	4.3
59.01383	49.9
61.98840	38.5
69.01759	18.0
69.02180	30.0
71.01394	39.6
73.02952	6.3
83.01385	5.0
85.02953	10.1
89.02454	34.4
93.13436	3.8
101.02441	17.4
113.02447	11.2
115.92072	10.2
125.02470	7.4
131.03477	8.6
137.02544	4.8
149.04536	7.6
158.77902	4.0
191.05592	6.4
258.01602	5.1
259.02338	4.4
273.04022	6.0
288.06396	10.6
289.07095	13.6
299.09238	23.3
303.08768	28.9
304.09354	6.4
308.98486	4.7
314.11392	13.2
329.13925	32.5
331.11942	8.1
374.40704	4.4
405.19055	12.5
532.28717	5.0
535.17975	6.5
552.22089	6.0
567.24634	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2598
Annotation	Casearborin B
Peak:m/z	Relative Intensity
59.01383	100.0
61.98821	13.1
67.01887	3.7
69.03471	18.2
71.05015	2.4
79.05535	3.3
79.17281	2.0
79.92229	1.9
81.03472	3.8
83.05034	85.0
85.02956	4.3
89.82365	1.8
93.03455	5.5
93.07060	2.1
97.02952	25.5
97.06589	2.6
98.21973	15.6
99.04532	4.8
107.05000	3.3
108.02277	2.2
109.02940	2.9
109.06598	12.3
111.00899	3.1
111.04554	3.1
112.01667	3.6
113.02467	17.7
121.06577	5.0
125.02444	7.1
126.03223	6.8
127.04016	54.7
133.06613	3.1
135.04524	4.8
137.06107	17.0
147.08171	3.8
149.09700	2.3
150.83878	2.0
151.04028	2.4
153.05583	27.3
159.08188	3.6
163.07654	3.1
177.01700	2.3
188.08411	2.7
191.10899	2.1
211.11328	3.6
211.14912	3.1
227.14316	3.7
229.15895	3.4
245.97568	2.0
253.12239	2.2
265.15866	2.9
277.16150	2.2
291.14316	2.7
291.17514	9.0
293.15298	2.5
306.16229	3.3
307.17014	7.0
309.18567	9.6
317.19235	3.0
324.65771	2.3
331.20685	4.6
349.21655	3.4
353.17804	4.2
369.16956	11.7
371.18875	6.2
375.13626	3.2
383.23846	7.1
386.01688	2.2
393.20743	5.9
397.20184	5.1
397.51282	2.2
401.24814	11.5
403.17578	4.0
404.17908	4.9
405.18234	13.4
409.20062	3.9
411.21667	3.2
413.19730	8.4
419.25980	5.9
427.22296	4.7
445.23813	11.8
463.25159	12.5
471.21716	3.8
479.24332	8.4
483.20554	2.6
489.22885	13.5
507.23828	35.2
508.24005	4.1
513.21045	3.9
525.17267	4.3
525.24945	67.0
526.25549	6.4
567.26093	62.2
568.26239	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2598
Annotation	Casearborin B
Peak:m/z	Relative Intensity
59.01099	5.4
59.01386	100.0
61.98829	6.7
66.92028	2.9
69.03455	9.2
70.59878	6.1
83.05036	34.0
95.05070	5.3
97.02975	9.4
99.22204	3.6
105.67609	3.0
113.02442	12.2
127.04028	25.7
137.06088	13.0
141.79892	3.7
153.05569	11.1
193.39902	3.5
204.12709	3.5
211.11293	5.3
248.04146	3.3
261.64542	3.0
278.55136	3.9
284.33725	4.2
307.17004	4.2
309.18747	5.8
358.99020	3.4
369.16919	11.5
383.23761	4.4
393.20755	10.1
397.20346	4.8
401.24713	4.4
413.19662	10.7
427.22464	7.4
463.24765	8.3
507.23901	26.8
525.25256	30.6
534.70306	3.3
567.25543	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08387	1.0
53.75649	0.9
57.09685	1.0
59.01385	100.0
61.98833	9.8
69.03464	2.6
70.64849	1.5
70.65177	1.6
75.00890	6.9
85.02989	1.1
87.00862	0.9
92.17276	1.1
97.02965	2.0
103.06962	1.1
111.00888	4.3
113.02454	1.3
115.47070	1.0
121.06613	3.2
125.02457	10.2
149.02469	1.3
150.03224	3.5
151.03975	2.3
153.05609	1.2
157.10272	1.9
165.05611	3.6
166.55107	1.0
178.53760	1.0
191.05624	1.5
195.06636	1.4
251.18109	1.9
269.19040	1.9
293.19150	1.5
311.20273	2.8
355.19199	20.4
377.21313	11.6
489.23206	2.2
507.23996	17.5
508.24393	1.7
567.25629	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
57.03450	8.5
58.00583	4.7
59.01381	78.2
61.98832	3.9
63.51885	1.4
68.59541	1.7
70.61848	4.9
71.01385	91.6
72.99302	6.0
73.02948	21.9
75.00890	2.2
83.01395	9.2
85.02953	29.6
86.00097	3.6
87.00885	18.2
89.02451	86.3
90.02763	1.8
95.01398	6.8
99.00888	7.5
101.02445	65.8
113.02455	50.3
119.03493	34.2
125.02465	2.9
129.01965	3.0
131.03516	32.0
134.07384	3.2
137.09688	2.4
143.03522	12.2
149.04550	3.4
149.09718	25.9
154.87987	1.5
159.02950	4.2
161.04570	47.2
167.09357	2.1
167.10774	39.7
173.04433	1.9
179.05618	100.0
221.06670	97.5
222.07030	2.4
225.14938	5.7
263.07727	46.9
329.11462	1.9
376.73544	1.5
405.21332	17.1
425.19217	1.8
447.13562	1.7
459.85443	1.6
567.26556	50.3
568.26849	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2817
Annotation	14-hydro-15-hydroxyajugapitin
Peak:m/z	Relative Intensity
50.71380	1.0
55.63024	1.0
56.35501	1.0
57.03453	19.1
59.01384	6.2
60.23810	1.0
61.98826	2.3
67.01903	1.1
69.03463	21.3
70.60504	2.9
71.01366	2.7
72.99299	5.1
73.49531	1.0
75.00870	1.2
78.74479	1.0
83.05033	10.1
85.02959	6.4
87.00896	1.3
89.02454	2.5
93.03407	5.1
97.02955	93.6
97.06580	1.4
101.02483	1.6
104.44155	1.0
109.02946	5.8
111.04527	41.8
113.02487	1.2
122.03725	1.3
137.06088	10.1
151.07733	1.3
153.09277	1.1
163.07700	1.3
169.08717	8.6
175.07680	1.5
177.09218	1.3
193.12379	1.4
281.13943	24.2
287.16498	4.9
349.16669	3.5
375.18271	2.8
423.23917	47.3
424.24347	4.5
425.25320	1.3
433.22198	8.1
451.23392	42.8
452.23984	2.4
469.24316	1.9
485.24945	2.2
521.27545	17.9
530.85547	1.2
531.26324	4.7
549.27222	16.5
550.27460	2.0
567.28174	100.0
568.28418	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03048	1.1
51.04958	1.2
51.65074	1.2
59.01384	100.0
61.98820	3.2
66.10335	1.2
70.68527	1.3
71.32233	1.7
80.58939	1.2
121.06547	2.4
139.32726	1.6
153.09204	1.9
187.12674	1.3
343.19162	1.7
395.05161	1.4
468.95688	1.3
471.64609	1.6
495.30579	1.8
509.24997	1.7
530.11230	1.3
531.11957	3.8
532.10950	2.7
567.29340	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.7
55.68419	0.7
57.03450	2.8
58.00589	0.9
59.01381	83.7
61.98837	5.5
69.03461	1.7
69.10954	3.6
69.11388	2.8
71.01387	39.6
72.99311	2.1
73.02945	14.1
74.73901	1.1
75.00871	3.1
83.01394	6.8
85.02953	23.0
86.00069	1.0
87.00888	3.0
89.02442	5.1
91.01910	0.8
95.01388	2.5
97.02950	1.9
98.22565	1.4
99.00902	6.5
101.02452	37.9
109.02957	1.7
109.06594	2.1
113.01731	1.8
113.02454	19.7
116.92857	1.3
125.02460	2.7
131.03508	54.4
137.02509	1.0
143.03537	1.7
151.04010	1.2
153.01927	4.0
159.03006	3.5
161.04584	21.0
165.05637	1.2
167.03522	0.9
181.08667	0.9
271.02350	1.3
280.90848	0.9
300.02747	1.6
301.03152	1.1
302.03387	1.5
375.23889	100.0
376.24353	6.0
405.15985	1.0
419.22852	2.8
427.84091	0.9
507.28116	23.5
508.28482	1.5
567.12390	2.7
567.24304	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12389	0.9
55.01863	3.3
57.03456	5.4
59.01383	60.7
61.98826	5.1
69.03426	1.0
69.29514	6.7
71.01386	41.9
72.98896	1.0
72.99288	2.3
73.02953	14.7
75.00875	1.6
79.61514	0.9
83.01387	9.3
83.05033	1.0
85.02956	25.7
86.00122	1.1
87.00874	2.4
89.02451	11.6
95.01419	3.6
95.05032	1.3
97.02979	2.4
98.22555	2.2
99.00883	8.1
101.02446	37.1
102.54578	1.1
109.06593	4.3
113.02456	19.9
116.92853	1.5
119.03516	3.5
121.02905	1.3
122.03713	1.3
123.04576	2.0
125.02456	4.6
131.03514	23.5
135.04491	1.5
137.06088	4.4
139.07642	1.4
143.03560	2.1
149.04507	1.1
150.03195	1.1
151.04051	1.2
159.02988	3.6
161.04578	19.9
161.09737	1.3
165.05569	1.0
170.49767	1.1
177.02046	1.4
177.05554	1.5
179.10753	1.2
193.08806	1.4
235.77127	1.1
255.03119	1.2
271.02527	1.4
275.12875	1.3
300.02576	1.0
301.03214	1.8
302.03119	2.3
352.70856	1.1
357.09741	1.5
372.11734	1.7
375.23895	100.0
376.24167	6.7
387.14587	10.3
419.22867	13.8
507.28101	27.0
508.28595	2.1
559.77710	1.2
567.12408	3.4
567.24512	26.1
568.24316	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37499	1.3
52.62428	1.2
52.96802	1.2
55.01867	2.8
57.03451	4.2
59.01385	43.1
61.98835	7.6
69.09286	14.7
69.09622	2.8
71.01387	37.2
72.99309	1.7
73.02948	14.2
83.01392	6.6
83.35172	1.3
85.02954	19.7
89.02455	7.3
95.01384	2.6
98.21740	2.8
99.00877	5.2
101.02449	32.0
103.41973	1.4
111.00958	1.4
113.02464	16.4
119.03551	2.3
122.60545	1.6
131.03522	22.6
143.03488	2.8
148.00311	1.4
159.02957	3.4
161.04576	15.0
200.22934	1.4
375.23889	100.0
376.24191	6.0
391.39108	1.7
419.22794	7.6
468.34784	1.5
507.28082	22.9
508.28415	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	6.2
59.01363	2.0
61.98832	2.1
69.11744	9.4
71.00990	1.4
71.01382	22.5
72.86554	1.0
78.95905	3.4
78.98594	1.2
79.95733	1.9
80.91681	2.4
80.96529	16.4
83.85455	1.1
94.98099	3.8
96.96033	1.5
116.58854	1.2
134.97559	1.5
152.99638	1.9
164.98660	2.4
187.11647	1.2
187.16319	1.2
225.00743	4.8
229.77420	1.2
281.24930	3.8
309.39777	1.3
427.28500	3.6
461.30896	1.4
482.26080	1.8
485.32739	100.0
486.33105	11.6
507.30783	2.1
567.32928	25.4
568.33063	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.4
57.34970	1.1
59.01372	1.5
61.98836	5.7
66.84698	1.1
68.11147	1.1
76.13727	1.0
76.78262	1.0
80.91677	3.7
96.95984	1.1
98.22614	2.3
99.92596	1.6
115.25593	0.9
116.96694	1.3
149.17857	0.9
316.54453	1.4
383.29745	1.9
439.31940	1.4
467.31827	2.2
483.31308	4.2
485.32748	100.0
486.32825	10.2
507.30881	3.9
567.33020	38.7
568.34167	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3307
Annotation	(-)-Helvolic acid
Peak:m/z	Relative Intensity
57.03429	1.2
59.01345	1.1
61.98822	2.3
69.10019	7.4
78.91895	4.2
99.04465	1.4
106.93167	1.0
172.72603	1.3
186.76796	1.1
228.80682	1.1
275.07272	1.5
365.24561	1.1
383.58841	1.1
507.30975	49.7
508.24603	1.5
508.31180	6.7
516.30670	1.3
567.33026	100.0
568.33228	13.2
574.77740	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04568	1.6
53.83205	1.5
53.86998	1.7
55.01883	3.2
57.03450	3.6
59.01381	52.5
61.98832	43.8
69.40147	6.4
69.40544	5.1
71.01385	32.3
72.99294	3.3
73.02946	12.1
75.00874	2.0
83.01409	4.1
85.02957	19.6
87.00893	5.7
89.02464	9.7
95.01410	4.3
97.02980	3.1
97.06620	1.7
98.22382	3.5
99.00903	3.8
101.02456	24.4
102.77731	1.8
109.06587	2.5
111.00928	2.3
111.04540	2.1
113.02454	14.6
119.03506	1.7
121.01809	1.9
125.02460	3.3
137.06039	1.9
146.73921	1.7
159.03040	2.2
161.04543	14.2
191.05582	2.1
217.03374	2.3
247.26785	1.7
279.46719	1.8
345.30093	6.6
362.54468	1.8
507.35449	100.0
508.35590	10.6
531.22382	4.6
532.31335	1.8
567.25812	17.5
585.91302	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.4
61.95122	0.3
61.98836	100.0
69.05712	1.0
69.06132	2.2
71.01389	1.9
73.02961	0.6
84.72224	0.3
85.02991	0.9
87.00896	0.3
87.04526	3.7
89.02464	1.5
96.65050	0.3
99.00919	0.5
101.02486	1.5
108.86574	0.3
113.02464	0.5
125.02486	0.3
128.99309	1.3
131.03555	1.0
149.04567	0.3
161.04556	0.4
163.07634	0.7
169.06105	1.2
170.06383	0.6
174.15680	0.3
180.69009	0.2
213.05045	2.2
214.05437	1.2
237.56442	0.3
238.58791	0.3
313.26080	0.3
348.39389	0.3
375.27267	0.4
377.22040	1.0
419.26175	0.6
437.23782	0.4
463.24985	0.6
481.26193	1.1
507.23929	2.4
507.35657	1.3
508.36044	0.8
509.25641	0.8
525.25134	1.1
569.28381	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63171	0.8
55.15281	0.7
59.01384	19.1
60.01711	3.2
61.01807	2.3
61.98834	100.0
69.36916	2.9
69.37309	1.6
76.58595	0.7
79.17915	0.8
82.64211	0.8
125.02428	1.4
129.05586	1.3
162.03262	2.6
177.05609	3.0
180.04044	1.1
195.06651	0.9
237.07709	1.7
270.08859	0.9
275.25449	0.9
332.60712	0.9
344.14993	0.9
430.66367	0.8
438.57092	0.9
568.24847	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82109	0.9
59.01382	16.8
60.01719	2.1
60.81750	0.7
61.01805	2.8
61.98836	100.0
64.84768	0.7
67.18529	0.6
69.16298	5.8
156.91360	0.8
162.03300	2.9
177.05649	2.9
202.29233	0.7
203.42400	0.7
224.08559	0.7
237.07840	0.9
238.45090	0.7
241.64705	1.0
350.75668	0.8
568.25092	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92986	8.9
57.52012	8.3
59.01382	21.9
61.98827	100.0
62.00323	9.6
62.28701	8.1
67.87671	8.2
71.28681	8.7
91.18729	8.2
101.02460	11.5
143.13628	8.7
146.62498	10.7
180.34949	8.9
192.75961	10.6
193.05043	9.2
223.43954	9.7
226.67924	9.8
239.11012	9.1
286.47672	9.9
342.69986	8.5
481.21777	12.2
525.21063	25.6
527.34711	10.9
533.11420	11.4
568.26031	13.9
569.12085	10.6
586.74518	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50053	10.8
61.98836	51.9
69.36369	54.9
72.99306	32.7
96.96925	9.7
98.21839	17.3
101.49249	9.7
135.46132	8.1
137.06075	14.9
215.11148	10.6
367.04514	9.8
433.20282	100.0
507.20291	35.8
545.02814	10.9
550.27795	11.6
568.26355	46.6
569.25543	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	26.4
61.98831	100.0
79.72083	14.6
88.14580	15.0
89.21732	15.8
258.59726	18.3
295.11139	16.5
338.31516	15.0
490.23599	20.4
508.24258	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	11.7
59.01393	23.4
61.98825	4.1
63.38984	3.2
68.26672	3.4
69.07005	38.1
78.24264	3.2
78.85864	3.3
80.66608	3.3
83.05044	27.7
93.03470	6.6
98.04663	3.0
107.05009	4.4
111.04546	13.1
123.08199	13.5
123.19953	3.9
125.09736	12.4
126.55741	3.5
139.07724	5.1
141.09254	8.9
148.61533	3.9
151.07635	13.9
155.31342	3.4
169.08717	4.9
171.62531	3.7
217.58965	5.2
255.17798	3.8
267.17523	6.4
375.27185	10.2
395.22269	4.8
401.24747	6.7
419.25946	18.1
420.26346	5.9
423.21985	5.4
437.27005	12.1
453.26630	15.4
463.24832	21.4
481.26059	14.6
525.24963	100.0
526.25299	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60660	35.6
59.01367	42.3
61.98835	100.0
63.99433	39.7
75.28551	41.5
87.00858	85.7
87.27030	42.2
125.77283	33.3
129.06075	36.3
164.83539	68.3
360.31918	39.4
397.63272	40.4
516.39893	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	4.8
59.01378	25.4
61.98832	94.7
67.67732	3.8
69.01156	4.2
69.03463	36.5
71.01398	7.3
71.05061	4.4
71.32258	6.3
81.03448	5.4
83.05034	49.0
85.02960	8.3
89.02459	8.4
95.05045	7.3
97.02959	31.0
97.06551	4.4
99.04526	9.7
101.02441	5.0
107.05000	4.8
109.02980	3.8
109.06591	6.9
111.08153	8.0
113.02457	52.2
121.06618	7.9
125.02449	74.1
127.04030	58.6
131.03499	3.8
131.08815	3.6
135.04509	15.5
137.06081	14.7
137.81665	3.7
139.07668	4.1
153.05592	12.9
163.07619	5.0
175.07675	7.1
196.19719	3.6
211.11217	8.9
211.14896	9.6
225.12921	3.8
225.92532	4.2
227.14485	5.6
229.15962	7.5
279.17609	4.0
291.17523	4.4
307.17078	10.8
307.20627	5.1
308.17761	4.0
309.18469	7.7
321.22470	4.5
331.20740	11.2
349.21790	12.9
351.15860	7.2
369.17050	46.2
371.18506	25.7
377.21265	7.2
383.23483	6.8
393.20813	38.7
397.20190	16.8
401.24713	8.9
411.21826	20.3
419.25858	5.2
427.21619	27.0
436.30179	5.8
445.23730	12.9
463.25018	27.9
471.21796	4.5
489.22882	16.8
507.23865	32.2
508.35928	4.9
525.24945	100.0
526.25165	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60292	3.3
59.01385	100.0
59.03011	3.1
61.98833	23.1
70.25156	7.5
70.25509	6.4
70.62167	3.0
80.99338	3.4
91.15266	3.1
99.04545	3.7
100.57935	3.1
137.90721	2.9
139.07759	4.0
191.05571	6.0
300.08218	3.5
315.10599	3.3
356.19360	3.7
508.23648	4.6
509.25839	6.1
530.98505	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98348	10.1
59.01380	100.0
69.03451	10.6
75.00884	23.6
79.63063	10.0
80.51037	9.2
83.05048	14.2
87.80904	10.7
97.02972	14.7
98.21773	38.0
125.02470	19.1
167.07159	45.4
213.45168	10.2
341.17691	12.1
463.24500	14.9
509.25284	21.0
525.25220	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98348	10.1
59.01380	100.0
69.03451	10.6
75.00884	23.6
79.63063	10.0
80.51037	9.2
83.05048	14.2
87.80904	10.7
97.02972	14.7
98.21773	38.0
125.02470	19.1
167.07159	45.4
213.45168	10.2
341.17691	12.1
463.24500	14.9
509.25284	21.0
525.25220	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60960	2.1
57.03449	3.2
59.01377	14.8
61.98838	27.5
69.03458	9.4
69.09374	17.1
69.09778	6.4
71.01392	11.5
73.02932	3.1
75.66222	2.3
78.10088	2.3
81.03415	2.3
83.05038	29.0
85.02950	3.7
87.00851	3.3
89.02439	9.2
93.03460	64.3
94.03799	18.2
97.02948	7.5
98.21761	4.5
99.04483	5.2
101.02434	8.0
111.08194	2.6
113.02458	20.1
121.02969	2.7
125.02461	4.1
127.04035	36.8
135.04538	4.9
137.06117	3.2
151.04019	3.9
153.05624	17.8
155.07144	3.5
168.99791	2.6
169.06580	7.5
170.06932	8.2
211.14944	3.7
213.05588	45.3
214.05928	40.0
309.18637	5.8
331.20740	5.2
349.21710	7.3
369.17126	12.9
371.18704	17.8
371.23462	3.8
375.19464	3.7
393.20703	21.4
397.20163	9.9
401.24887	5.6
411.21497	5.4
419.25885	4.3
427.21695	7.5
445.23938	4.9
463.24728	10.0
489.22977	4.2
507.23657	14.1
525.24951	100.0
526.25250	7.9
569.26404	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66851	0.5
74.48990	0.4
90.28240	0.4
92.14170	0.5
94.42426	0.4
98.21742	1.0
99.92589	8.7
107.18210	0.4
116.92870	100.0
117.01945	0.6
117.92873	4.0
157.65262	0.4
229.14694	0.5
289.07065	0.8
301.26001	0.5
451.12289	0.5
488.07126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.6
59.01389	1.8
61.98837	1.9
63.02398	1.8
65.00329	16.3
67.98837	0.7
71.01394	1.2
71.31174	0.9
82.57028	0.7
83.01380	7.9
84.81918	0.6
85.02945	0.9
87.00909	0.8
89.02459	1.2
93.03498	0.8
94.03902	0.8
101.02433	0.9
101.30856	0.7
107.01400	24.8
109.02980	1.8
121.02961	3.0
123.04530	7.3
124.01692	1.6
124.42362	0.7
125.02458	11.2
133.02963	3.4
134.03773	2.0
135.04564	4.2
137.02435	1.9
149.02454	2.5
150.03253	9.7
151.00383	100.0
151.03992	12.5
152.01233	3.8
161.02422	0.7
165.05640	1.2
169.01450	2.2
174.03194	0.8
175.03978	2.0
176.01201	1.5
177.01945	1.4
178.99858	4.8
179.03552	0.8
193.05130	1.9
198.03287	0.9
199.04005	2.5
213.05658	1.7
217.05014	1.5
229.05078	1.0
241.05093	2.6
257.04672	1.1
267.03079	1.2
285.04077	49.8
286.04468	2.5
303.05078	2.2
371.24374	9.9
443.09833	4.3
568.28760	0.9
569.12646	6.9
569.19684	1.1
569.33557	1.5
570.14301	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28165	2.8
59.01380	17.2
61.98829	39.4
71.29729	3.6
73.02927	3.6
87.28709	3.2
89.02451	3.7
101.02450	4.7
108.02203	6.7
108.74317	3.0
109.02941	3.8
116.92865	10.6
121.02939	19.8
122.03786	15.9
123.04523	13.0
125.02450	6.9
133.02927	4.8
134.03751	14.7
135.04530	10.6
136.01642	9.5
137.02393	4.7
146.03764	5.9
147.04471	4.5
149.02469	26.6
149.06105	13.0
150.03233	100.0
151.04041	27.2
161.02403	4.9
161.04491	4.3
162.03233	6.0
163.03961	6.9
164.04778	10.8
165.05579	77.2
169.05237	3.6
177.05612	7.6
178.02718	3.5
179.03569	4.1
179.07120	14.1
180.04280	7.2
181.05070	12.8
193.05052	15.0
195.06647	51.2
207.06595	4.9
239.07079	4.3
240.04289	7.7
240.88036	3.5
253.05092	4.1
255.06682	6.6
265.08575	3.8
267.06714	11.1
268.07257	7.3
269.08224	19.6
271.09854	4.6
280.07355	5.8
281.08228	5.3
283.06448	3.2
283.09781	9.3
295.06265	4.9
295.09677	7.6
296.07239	4.1
297.07776	3.9
298.08472	11.1
299.09122	5.2
310.08545	4.5
311.09213	15.7
313.10809	6.9
323.09415	3.8
325.10800	4.5
326.11392	3.9
327.12317	4.2
328.09467	9.1
329.10361	6.6
340.09641	18.1
341.10294	12.5
342.10901	6.2
343.11847	70.6
353.10156	4.6
355.11874	52.4
356.12320	4.8
371.11600	16.3
371.41800	3.4
417.13858	4.5
431.15353	17.2
491.17212	34.7
503.17224	9.7
521.18176	54.4
522.18854	8.3
539.18884	9.5
551.19122	16.1
569.19904	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.216
Annotation	9,9'-Dibenzoylsecoisolariciresinol
Peak:m/z	Relative Intensity
51.60601	11.6
69.03526	100.0
77.12986	10.6
80.00845	11.1
109.14413	11.4
165.36319	10.3
166.39909	11.8
533.24139	12.9
569.20978	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05754	2.4
59.01383	53.2
61.98837	20.8
63.69288	2.3
71.29688	3.5
84.26686	2.3
89.74457	2.2
97.03004	3.5
109.02989	4.1
110.03238	2.4
121.02998	13.9
125.02465	2.5
136.70049	2.4
137.02496	2.9
147.04532	2.8
149.02455	50.0
150.03268	4.6
164.04819	7.5
164.62198	2.4
179.07164	5.5
267.10345	3.0
269.08194	11.4
269.11792	5.9
276.27417	2.6
283.09766	7.5
296.10498	3.5
297.11395	19.8
298.11893	3.1
299.09280	6.8
311.09253	6.8
311.12878	3.8
314.11560	15.4
317.21548	2.4
325.10858	4.2
326.11624	4.8
329.13913	30.6
341.13950	17.9
356.10675	2.6
369.10022	5.8
431.15009	6.5
433.16476	6.5
447.14499	2.8
462.16907	5.9
477.19217	36.8
478.19443	4.9
489.19086	3.9
507.20313	100.0
508.20380	13.2
509.25369	10.3
540.31329	3.0
550.65570	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.9
58.00581	2.9
59.01378	94.6
61.98825	7.0
69.82378	7.0
69.82788	4.5
71.01380	61.6
72.99303	5.4
73.02945	18.4
75.00885	8.9
83.01394	5.4
83.72234	1.8
84.02182	1.8
85.02952	9.1
87.00877	4.2
89.02444	100.0
99.00887	31.5
101.02444	33.2
113.02463	6.7
119.03494	3.6
125.02458	8.5
131.03505	59.2
143.10783	97.2
144.11137	3.6
149.04555	68.6
157.12314	11.4
165.05475	2.5
167.10858	3.7
185.11830	33.3
191.05614	50.5
195.06644	2.6
197.11879	5.8
215.12888	28.0
227.12910	2.4
233.06670	9.2
258.39655	1.9
275.14893	3.2
293.08823	7.9
537.71667	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19816	1.8
58.00608	5.4
59.01383	100.0
61.98813	4.2
69.48069	9.1
70.76908	1.8
71.01390	63.1
72.99276	3.6
85.02952	10.8
87.00899	3.7
88.78207	1.8
89.02454	96.3
95.01420	3.2
101.02443	26.1
113.02443	23.8
119.03521	37.5
131.03508	4.6
143.03523	6.4
161.04539	9.5
161.24919	1.8
167.10786	2.9
179.05629	37.6
179.07161	2.7
191.05693	4.3
299.76212	2.1
347.17096	3.8
599.49420	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98252	0.9
69.12266	4.8
69.12671	2.2
71.01402	1.2
73.37631	1.0
77.73331	0.9
83.05025	3.6
99.92592	100.0
100.92602	3.5
100.93372	3.2
111.04539	1.9
115.92085	37.0
116.92866	58.6
117.92866	2.2
121.78518	0.9
127.23384	0.9
128.60597	0.9
151.62885	0.9
155.95186	2.9
171.94728	6.9
193.96750	1.9
194.97411	1.1
209.82466	1.2
315.10568	1.0
405.11707	1.2
426.34207	1.1
465.21030	1.1
500.09506	1.0
521.23706	6.3
539.24786	8.0
551.24738	36.4
552.24969	5.5
565.22314	1.3
569.25763	56.7
570.25928	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2577
Annotation	Salviadienol A
Peak:m/z	Relative Intensity
59.11887	0.8
61.98833	6.5
70.99801	1.1
71.01395	1.0
78.67487	0.8
83.04996	1.3
99.92592	89.2
100.92590	3.2
100.93347	1.9
115.91251	1.3
115.92085	37.5
116.92867	50.3
117.92867	1.1
150.68391	0.9
155.95195	1.4
171.94711	9.8
191.49367	0.9
292.76065	1.2
295.99768	1.0
313.47614	0.8
326.50195	0.9
354.18835	1.1
451.32095	2.7
507.28726	4.5
521.23315	2.3
536.22211	1.7
539.24512	3.4
551.24701	25.6
552.24725	4.1
569.25537	100.0
570.25818	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99120	1.5
59.01389	8.8
61.98827	9.2
68.99881	4.2
69.00291	8.6
70.22366	1.3
98.77238	1.4
99.04530	6.3
99.92589	59.8
100.92607	2.0
105.52148	1.9
108.50076	1.3
115.92084	31.2
116.92871	55.9
116.97245	6.3
117.92895	2.5
117.93671	1.7
140.85388	1.4
365.72717	1.5
439.32071	2.6
451.32233	31.6
452.32480	3.1
469.34000	1.5
509.28085	13.1
511.34262	6.7
521.23291	1.5
539.24744	5.2
551.24957	8.6
569.25598	100.0
569.29773	62.8
570.25024	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2578
Annotation	Salviadienol A
Peak:m/z	Relative Intensity
51.32455	0.8
53.73104	0.9
56.21201	0.8
61.99020	0.9
64.37430	0.9
69.12363	6.0
69.12774	1.7
72.62612	0.8
75.56553	0.9
83.05037	3.4
99.92595	47.6
100.92603	2.5
100.93371	1.8
106.39275	0.8
114.94956	1.3
115.92091	23.4
116.92870	52.1
117.92893	2.7
167.21979	0.9
194.97420	1.5
195.53639	0.9
521.23590	5.2
522.23712	1.7
536.22247	1.8
537.22797	2.0
539.24670	8.9
540.24847	1.5
551.24725	60.8
552.25153	9.0
565.22406	1.2
569.25732	100.0
570.26031	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2575
Annotation	Salviadienol A
Peak:m/z	Relative Intensity
56.00398	1.8
59.63085	2.4
61.72917	2.2
61.98816	2.3
63.62785	2.0
65.60121	2.0
69.03430	9.5
72.20318	2.2
78.95892	3.8
79.95709	1.9
80.96507	7.6
87.23168	2.0
98.22605	5.5
99.92593	68.0
115.92085	89.3
116.92121	3.1
116.92867	44.1
132.92380	3.3
141.34363	2.0
169.93114	3.1
205.83295	2.2
225.00737	2.1
244.53017	2.3
298.18326	2.3
309.68060	1.9
333.98941	2.2
359.23135	2.0
423.32623	3.3
533.23578	2.9
539.24689	15.1
551.24725	29.6
552.24634	2.9
553.21954	2.6
569.25562	100.0
570.25800	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82346	0.2
54.11504	0.3
59.01381	4.2
60.19952	0.2
61.98837	0.9
71.01399	2.8
71.30148	0.3
72.99314	0.4
73.02940	0.6
75.00866	0.9
82.52941	0.2
85.02938	0.5
86.20083	0.3
86.29585	0.3
87.00896	0.5
89.02441	2.8
97.91886	0.2
99.92590	9.0
100.92635	0.5
101.02482	1.3
113.02471	0.9
114.93398	0.4
116.92870	100.0
117.01930	0.8
117.92872	3.6
119.03476	1.2
119.38306	0.2
122.03731	0.3
125.02482	0.6
127.21358	0.2
129.15443	0.3
149.02460	0.6
150.03229	2.8
162.03270	0.8
165.05582	2.1
177.05527	0.4
179.05591	0.5
179.07152	0.8
181.05055	0.4
195.06645	1.0
196.07436	0.4
211.09792	0.5
240.35216	0.3
243.03006	0.5
255.03073	1.2
256.03613	0.3
256.32864	0.3
373.15082	0.9
415.90262	0.3
442.55856	0.3
521.20306	3.0
569.12689	0.5
569.22522	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.9
59.01385	35.0
61.98833	11.2
71.01387	12.6
71.32232	1.6
72.99300	1.1
73.02953	2.5
75.00871	1.4
81.54730	1.0
85.02940	3.3
87.00889	2.3
88.98811	2.6
89.02451	9.3
93.03501	1.3
96.35835	1.2
97.03010	1.3
97.06599	3.6
99.04530	2.3
101.02471	7.7
111.00169	1.0
111.04533	1.7
113.02464	4.6
116.92838	5.5
119.03522	3.4
119.55072	1.1
123.04539	2.8
126.76293	1.0
127.94763	1.1
131.03473	1.6
135.04529	1.2
139.07649	3.9
143.03503	1.1
151.04042	3.0
161.04559	5.4
164.04776	1.1
171.10268	2.9
179.05637	3.2
185.11856	1.6
210.26715	1.1
285.18906	1.2
315.19336	1.2
329.21313	3.1
341.23349	2.7
347.22253	3.3
369.22784	5.2
371.24399	100.0
372.24811	5.9
449.27847	1.4
491.26617	3.6
493.21930	1.5
509.27576	7.1
517.03894	1.2
526.25641	1.2
527.26526	2.3
569.08466	1.1
569.26929	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64009	0.4
58.80905	0.5
59.01383	100.0
61.98835	0.9
70.62825	1.1
71.01408	1.1
71.01821	0.4
75.00887	1.4
85.66460	0.4
86.21564	0.6
99.00879	1.0
99.04543	1.0
105.07125	0.7
111.08253	0.4
123.08205	1.0
129.06624	0.5
137.06241	0.6
137.09793	1.7
139.07686	2.0
145.59300	0.5
151.11339	1.0
158.15448	0.5
180.57018	0.4
189.09393	0.7
190.95438	0.6
191.26591	0.5
191.88377	0.4
195.06848	0.4
195.20992	0.4
203.10863	0.9
210.40654	0.5
327.16196	0.6
385.25586	0.6
403.26694	1.0
412.31970	0.5
429.24542	1.2
447.25583	1.1
465.26483	6.7
466.26682	1.0
509.25500	18.2
510.26297	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
71.29526	2.4
72.99303	2.4
75.00878	100.0
97.06595	3.0
102.55549	2.2
174.96329	2.0
204.41861	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09657	0.3
55.00333	0.3
59.01382	100.0
60.01712	0.7
61.98837	1.4
63.17801	0.3
70.94996	0.4
70.95314	0.4
71.82247	0.3
71.91286	0.4
80.33425	0.4
110.54421	0.3
127.46690	0.3
164.04834	0.4
248.71222	0.3
509.25500	5.4
510.25986	0.8
569.27594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99978	2.0
59.01383	100.0
61.98827	5.8
69.03466	17.1
69.59915	10.1
71.01384	3.7
73.02927	2.0
83.05037	5.7
85.02938	2.8
97.02956	70.6
116.05063	9.6
116.30283	2.3
125.02410	2.6
126.03230	18.0
127.04016	7.0
133.32677	2.5
149.98001	2.5
151.07651	2.8
159.09290	4.5
169.35023	2.3
192.10341	3.0
203.08308	6.8
220.66504	2.2
227.81500	2.3
232.05551	2.2
233.15425	2.4
236.14824	2.4
244.92180	2.4
271.76431	2.4
365.15060	2.7
385.39676	2.4
465.26733	4.3
509.25525	84.2
510.25775	10.5
513.17615	2.7
569.24054	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98838	15.2
71.01373	0.8
78.95932	0.9
79.63177	0.6
83.05028	0.9
87.04535	2.0
91.09745	0.6
97.02999	0.5
98.22609	1.4
101.02503	0.7
109.03001	0.6
125.02435	0.8
125.90123	0.5
145.02985	0.9
145.04825	0.6
147.08195	0.8
152.99669	1.4
161.09814	0.6
165.77193	0.6
205.12457	0.6
206.05437	0.7
209.11931	1.0
215.74066	0.6
231.36948	0.7
464.26111	0.8
482.26727	1.5
508.24371	2.1
509.25385	20.0
510.26187	1.9
526.25452	0.7
569.27173	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48651	0.8
58.13890	0.7
59.01384	55.3
61.98836	86.2
63.43858	0.8
64.51730	0.8
69.07941	6.2
69.08352	2.3
71.01384	7.7
73.02932	3.1
83.01395	1.2
85.02942	4.8
86.64127	0.8
87.00876	0.8
87.04523	100.0
89.02456	3.2
89.36612	0.7
95.61189	0.7
99.00882	2.5
100.08041	0.9
101.02450	7.2
113.02433	3.6
125.02444	1.1
131.03514	7.0
139.48735	0.8
144.38812	0.7
158.31351	0.7
161.04559	2.5
187.30661	0.8
209.16148	0.8
305.19617	2.8
377.17175	0.6
377.21790	16.7
377.26184	1.4
389.30710	0.9
421.20929	1.1
437.24069	3.4
473.23111	1.2
491.24448	3.0
508.23349	1.1
509.25772	14.7
510.25742	1.0
569.27136	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	57.1
61.98835	9.3
62.81672	0.8
69.21562	5.0
71.01391	4.1
72.99311	0.6
73.02957	1.1
83.01381	1.0
85.02946	2.7
87.00875	0.6
87.04522	100.0
88.04866	1.6
89.02454	1.9
101.02457	3.1
113.02468	1.1
125.02473	1.2
131.03549	4.4
155.93094	0.7
161.04549	0.9
234.53481	0.6
273.75302	0.6
289.16537	1.7
377.21826	12.3
377.26212	1.3
421.20804	3.8
491.24139	1.3
509.25806	8.4
526.25684	0.9
531.95258	0.7
569.27655	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15597	2.7
58.47282	2.7
59.01369	9.7
61.98828	7.2
62.93534	3.1
71.01378	9.8
71.31418	5.0
73.02940	3.4
83.05045	3.9
85.02950	6.9
93.03477	2.8
95.05023	4.1
97.02937	15.6
98.32307	3.2
105.07121	7.5
107.05045	4.0
108.05794	7.1
109.02946	10.8
109.06618	5.0
111.04515	13.1
113.06075	11.9
121.06615	4.5
122.03740	12.0
123.08154	11.3
124.05322	4.9
125.06082	14.2
136.05290	11.1
137.06081	8.8
138.06917	13.9
139.07657	39.6
141.09279	5.2
148.05275	3.2
149.06122	4.6
151.07664	100.0
152.04787	12.0
152.08441	39.6
153.09229	24.0
157.78450	2.8
161.09709	8.6
161.54494	2.9
163.07640	10.7
164.04813	3.8
191.05582	4.7
201.12880	24.8
203.10785	13.2
204.11575	41.0
219.13919	77.7
220.14384	3.3
225.86856	3.2
243.29843	3.1
253.14458	4.9
263.12924	86.4
264.13022	3.5
347.15057	4.2
371.24423	41.0
435.20496	5.2
439.17447	3.5
448.37531	3.2
497.21820	6.8
515.22675	8.6
533.24219	11.4
552.94702	3.6
569.20398	4.6
569.28400	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91818	1.8
59.01383	13.3
59.85809	1.8
61.98840	11.2
63.68473	1.8
82.61360	1.9
92.20292	1.9
98.94025	1.8
99.04543	6.8
99.92595	72.9
100.92631	3.3
103.05757	1.7
115.92087	31.7
116.92113	1.7
116.92867	40.3
140.47952	1.9
171.94720	4.7
380.38312	2.0
451.32190	41.9
452.32428	6.1
455.90408	1.7
491.20932	2.1
507.28680	5.0
509.27850	3.8
511.34454	10.6
539.24518	2.6
551.24738	17.2
552.24817	3.3
569.29968	100.0
570.26068	8.9
570.30469	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3015
Annotation	LRRK2-IN-1
Peak:m/z	Relative Intensity
59.01365	7.5
61.98821	7.4
62.86583	1.7
69.16008	8.1
69.16414	3.8
70.85107	1.7
78.95911	2.1
87.10559	2.1
98.22533	3.4
99.04516	7.4
99.92591	37.4
100.92601	2.6
115.92085	27.3
116.92136	1.9
116.92862	40.5
124.66177	1.6
128.63654	1.7
186.86594	3.5
213.22296	2.1
336.82047	1.9
391.98871	1.9
413.55429	1.9
451.32138	45.4
452.32397	5.0
509.27884	6.3
511.34003	5.5
521.23578	3.7
536.22144	3.2
538.18854	2.1
539.24756	4.0
544.92328	2.4
551.25024	9.8
552.25232	3.2
569.25604	54.8
569.29974	100.0
570.25745	11.5
570.30652	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16415	0.4
57.03455	2.9
59.01376	2.7
60.78682	0.5
61.98816	0.8
71.01032	0.6
71.01389	6.3
83.49674	0.4
87.00874	1.0
87.04519	2.2
89.02452	30.7
101.02442	0.6
104.49359	0.5
105.13522	0.5
116.92878	1.3
131.03491	1.1
143.10777	1.1
145.79703	0.5
151.04044	0.7
151.11330	0.5
173.13477	0.5
182.23547	0.5
191.05605	0.9
197.01038	0.5
226.99545	0.5
271.20874	0.9
297.22168	0.9
315.23380	1.0
359.22272	5.9
377.23257	1.6
399.25504	1.8
417.26437	8.2
418.26746	0.9
435.27554	24.1
436.27744	1.6
443.28159	0.7
461.29227	2.3
521.18298	0.9
523.32709	0.5
551.32068	1.0
569.33325	100.0
570.33606	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26188	0.4
55.30267	0.3
55.33309	0.4
59.01388	4.3
61.98834	100.0
66.31089	0.4
69.03489	0.5
71.01400	1.8
71.32426	0.7
72.99329	0.5
73.02979	0.4
73.93478	0.4
77.00012	0.3
82.95451	0.6
83.01371	0.4
85.02973	1.1
87.00896	1.2
89.02464	1.2
93.03465	2.0
94.03817	1.0
95.85864	0.4
99.04583	0.4
101.02483	1.1
102.33726	0.3
109.02934	0.5
113.02476	0.7
117.95123	0.4
119.03528	0.4
121.06630	0.5
123.04588	0.4
125.02450	0.7
131.03589	0.4
137.02507	0.5
139.07678	0.7
149.04628	0.5
153.01814	0.4
153.23494	0.4
161.04597	0.5
191.05717	0.5
206.17509	0.4
213.05620	0.5
214.06003	1.1
215.06204	0.6
217.20204	0.4
239.86856	0.4
373.26172	0.7
377.25510	0.6
527.26221	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20035	0.4
53.90150	0.4
55.70072	0.3
61.98837	100.0
70.24492	0.9
90.62286	0.4
97.04629	0.4
109.03023	0.4
150.03252	1.2
151.04041	0.4
161.06174	0.5
162.03207	0.4
165.01985	0.6
165.05644	0.6
166.06021	0.5
171.91573	0.4
179.07185	1.3
181.08754	0.4
209.04572	0.5
219.97374	0.4
328.12967	0.6
420.07700	0.4
449.16803	0.4
545.33087	0.4
570.14246	0.7
571.22668	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.4
59.23125	0.3
61.98834	100.0
67.03527	0.4
71.01411	0.3
71.28199	0.3
82.92355	0.3
85.02967	0.4
121.81995	0.3
163.04047	0.4
172.39207	0.3
196.89990	0.3
273.52957	0.3
373.26190	0.9
396.20865	0.3
401.07117	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96548	18.0
54.32026	17.9
59.01366	41.1
61.98820	36.0
64.24792	17.0
68.97980	53.6
68.98380	100.0
78.03423	16.3
97.02986	21.2
98.22555	42.3
131.37460	17.4
204.74760	19.7
233.15416	32.9
267.01477	21.7
447.21637	38.9
465.22833	60.5
481.37796	19.7
509.22058	35.3
527.23224	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59951	0.2
59.01384	30.0
60.01717	2.2
61.98837	100.0
62.98538	0.2
83.52434	0.2
88.25088	0.2
124.22044	0.2
242.14438	0.2
252.02582	0.2
347.61810	0.2
416.59702	0.2
510.25922	2.0
511.26328	0.4
570.85339	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29653	0.4
57.03435	0.4
59.01382	7.9
61.50928	0.3
61.98833	100.0
66.56219	0.4
69.03470	0.4
69.07127	1.7
69.07555	2.0
71.01378	0.6
85.03008	0.4
87.00886	0.5
89.02473	0.6
97.02970	1.5
98.21792	0.7
101.02490	0.5
125.02450	0.4
137.06081	0.6
137.09744	0.5
139.07672	1.6
199.60504	0.3
209.11751	0.5
217.12367	0.5
231.13960	0.6
233.15402	0.6
350.04990	0.4
358.88971	0.4
369.05667	0.5
380.63898	0.4
380.69186	0.3
388.81482	0.3
462.07993	0.4
509.25204	0.6
510.26212	1.0
511.25311	0.3
527.26337	2.3
559.58716	0.4
560.36816	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47698	1.0
55.01871	2.4
57.03448	2.9
59.01137	1.3
59.01392	14.0
61.31722	0.9
61.90456	1.0
61.98837	15.5
69.02700	8.3
69.03109	1.9
71.01389	40.1
73.02947	12.2
81.36666	0.9
83.01396	7.1
85.02960	20.3
87.00886	1.8
89.02454	8.0
95.01395	3.3
97.02976	1.3
99.00891	7.3
101.02452	32.1
101.03114	1.7
113.02462	17.3
125.02443	2.5
129.01974	1.6
131.03503	6.7
143.03519	5.1
149.04523	1.9
159.02979	4.6
161.04572	32.2
174.79202	1.1
201.12738	1.1
249.67838	1.3
293.08835	1.5
395.20752	100.0
396.21118	8.6
439.19934	2.2
527.25079	31.4
527.33069	1.7
528.24963	2.9
561.17139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47698	1.0
55.01871	2.4
57.03448	2.9
59.01137	1.3
59.01392	14.0
61.31722	0.9
61.90456	1.0
61.98837	15.5
69.02700	8.3
69.03109	1.9
71.01389	40.1
73.02947	12.2
81.36666	0.9
83.01396	7.1
85.02960	20.3
87.00886	1.8
89.02454	8.0
95.01395	3.3
97.02976	1.3
99.00891	7.3
101.02452	32.1
101.03114	1.7
113.02462	17.3
125.02443	2.5
129.01974	1.6
131.03503	6.7
143.03519	5.1
149.04523	1.9
159.02979	4.6
161.04572	32.2
174.79202	1.1
201.12738	1.1
249.67838	1.3
293.08835	1.5
395.20752	100.0
396.21118	8.6
439.19934	2.2
527.25079	31.4
527.33069	1.7
528.24963	2.9
561.17139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20479	0.6
51.06477	0.6
51.53753	0.7
59.01096	0.9
59.01384	16.2
61.98845	0.8
68.99947	7.5
69.10965	0.6
71.01385	10.5
73.02951	1.1
85.02953	1.5
89.01927	0.6
89.02447	17.1
97.02946	2.4
98.22174	3.7
99.00875	1.0
101.02459	6.4
113.02436	2.7
119.03526	0.7
125.02452	5.9
131.03523	8.8
143.03513	0.9
149.04579	10.0
176.20299	0.6
191.05583	5.3
233.15482	100.0
234.15837	6.0
293.08847	9.9
510.25812	2.4
527.24969	4.6
537.98737	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15192	5.8
57.03469	7.5
59.01388	55.8
61.98836	43.4
65.14330	5.8
68.53089	6.2
69.09550	26.3
69.09969	20.3
75.00878	12.9
83.05035	41.8
85.36987	5.9
90.17140	6.9
98.22514	15.6
99.04515	23.5
111.04530	9.3
123.08179	16.6
125.09755	15.1
141.09216	8.0
151.07639	17.6
157.86671	6.2
182.13330	6.2
191.05656	10.0
403.26288	8.3
421.27676	31.1
440.27628	6.9
455.28345	11.3
465.26334	24.9
466.26776	7.7
483.27606	22.6
501.31454	8.8
502.32986	7.9
527.26569	100.0
528.26874	10.8
570.30627	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66626	12.9
51.74268	11.6
54.99520	11.4
58.12090	14.9
59.01368	36.8
72.51920	16.1
72.99289	17.6
75.00894	17.9
79.82619	13.9
85.02952	36.9
87.00901	19.9
95.05012	19.3
98.22629	26.8
115.56432	14.7
116.87725	14.5
121.02964	45.4
173.93616	12.4
186.99950	14.1
194.83891	13.4
230.30844	16.4
234.91609	14.3
251.03596	14.2
263.48389	13.0
279.97021	14.5
295.06137	17.7
341.17542	34.6
353.06674	20.2
437.27341	14.1
457.09180	28.0
483.27728	32.5
527.26563	100.0
545.10645	26.1
571.08624	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98719	13.7
61.98830	100.0
69.21522	32.4
69.21944	73.9
69.33852	13.8
81.53172	12.7
89.71085	11.9
159.07367	12.5
208.32837	15.3
243.14977	13.9
245.61987	13.3
388.55255	15.3
420.81412	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01092	5.3
59.01381	100.0
59.13350	2.5
61.98829	33.5
69.09535	24.6
69.09949	4.4
86.51055	3.2
87.00884	4.8
93.38125	2.8
99.04539	16.7
139.07645	3.0
144.58047	3.0
207.90189	3.0
447.25253	3.0
450.44980	3.3
465.26382	4.1
472.52039	3.2
473.78818	3.0
491.24268	4.6
495.81393	3.4
511.27054	25.8
527.26410	11.3
552.25409	3.3
570.28192	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.8
60.74617	16.6
61.98836	19.7
66.79264	14.9
69.09988	100.0
69.10413	42.9
71.95821	13.1
72.75137	15.4
79.13356	12.4
85.95808	14.4
107.83176	14.5
139.07675	44.8
141.63298	15.1
368.51898	15.8
527.26324	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	35.3
61.98818	7.8
62.55916	3.5
63.44105	4.0
63.76103	3.7
69.03870	38.2
75.00880	100.0
80.42348	3.8
98.15261	3.5
98.21765	5.9
102.28174	4.4
104.52540	4.1
133.48164	4.5
212.44408	3.8
264.98004	4.1
372.41290	4.6
414.94955	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47546	6.3
59.01381	53.7
61.95498	5.9
61.98826	84.7
70.10748	7.0
71.01367	17.5
78.75447	7.0
85.02917	17.6
86.39050	7.3
89.02429	19.5
98.22678	12.0
101.02459	11.1
108.02136	7.6
112.50945	7.0
123.04526	9.8
125.02443	7.6
130.96120	6.5
137.02478	9.2
150.03188	8.2
151.04008	12.7
154.52707	7.0
165.05559	10.4
195.06483	7.9
205.04947	7.7
219.13991	9.3
373.25912	63.6
511.29019	22.6
527.26392	100.0
528.26642	14.0
571.27777	15.5
594.06915	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52355	2.8
59.01381	98.5
60.01718	4.8
61.98836	62.3
69.03461	3.3
69.05643	28.7
71.01358	4.1
83.05026	6.5
87.00890	3.9
89.02470	3.7
97.02946	7.4
98.22529	7.1
99.04528	3.9
123.40440	3.0
137.06052	5.0
137.09763	5.0
139.07663	100.0
140.08038	3.1
202.04643	3.2
209.11880	19.7
233.15518	9.5
253.09363	6.3
291.19708	27.9
315.75946	3.3
356.26483	3.0
483.27515	8.6
510.25687	12.7
511.26871	10.9
527.26569	54.8
528.27209	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75518	0.4
53.26120	0.5
59.01386	4.2
60.01720	0.7
61.01827	0.5
61.98832	100.0
63.80489	0.5
68.28317	0.5
71.01392	1.6
71.31693	0.9
72.01747	0.5
73.02959	0.8
84.04868	0.5
85.02971	1.4
87.24174	0.5
89.02443	0.7
90.10295	0.5
101.02463	1.8
102.02805	0.5
113.02518	0.9
114.82605	0.5
131.03522	1.8
132.03914	0.7
133.04012	1.0
146.18851	0.5
151.04115	0.7
161.04544	0.5
229.42194	0.5
375.24301	0.7
376.24429	1.5
377.24609	2.0
378.24820	1.9
510.29437	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65458	0.2
59.01381	1.8
60.03974	0.3
61.71252	0.3
61.98835	100.0
66.55962	0.3
69.06779	2.9
71.01385	1.5
73.02949	0.7
79.93762	0.3
85.02967	0.9
89.02459	0.6
90.72562	0.3
98.22482	0.6
101.02491	1.2
113.02506	0.6
122.03795	0.4
131.03496	0.3
133.31723	0.3
146.03725	0.5
150.03232	0.7
159.07332	0.3
161.04636	0.4
165.05650	1.0
179.07227	0.7
191.05725	0.4
195.06744	0.9
287.90869	0.3
343.12067	0.7
373.18872	0.3
375.23944	0.4
376.24445	1.1
377.24777	0.8
378.24979	1.3
510.29630	0.6
571.23407	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31298	0.8
59.01384	13.2
59.31249	0.8
61.98838	1.7
69.00660	2.6
69.01080	7.0
71.01369	2.0
75.00880	11.7
83.05041	0.7
86.00685	0.8
89.02456	3.4
97.03022	1.4
101.02459	3.3
113.02470	1.4
119.03478	1.3
161.04514	1.0
165.12840	10.4
182.98402	0.8
213.25179	0.9
225.88809	0.8
247.20642	6.2
253.09320	17.8
273.18750	4.1
291.19678	100.0
292.20047	8.2
392.16565	1.0
511.27090	5.6
590.84326	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.35
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40813	0.2
59.01379	9.6
60.01730	0.5
61.98834	100.0
63.99253	1.2
70.75208	0.5
71.01385	1.7
72.01733	0.4
73.02964	0.7
83.01393	0.3
83.05042	0.3
85.02964	1.0
86.99804	0.2
87.04521	23.3
88.04852	3.5
88.05309	0.3
89.02477	0.9
89.04961	0.3
97.03006	0.3
98.77054	0.2
99.00881	0.4
101.02438	1.9
113.02500	0.7
125.02470	0.6
131.03532	1.3
132.03833	0.3
134.72124	0.2
139.07639	1.0
149.04556	0.2
161.04648	0.6
162.04941	0.3
217.06653	1.5
338.98154	0.2
377.21884	1.4
378.22177	2.8
379.22452	0.3
422.21249	0.6
432.06662	0.2
492.25037	0.3
509.25833	0.4
510.26117	2.5
525.25214	0.9
527.26611	0.7
570.29108	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	93.0
61.98846	9.2
62.87808	6.5
64.25970	6.2
69.20764	29.4
69.21174	15.4
71.01393	57.5
72.99329	7.3
87.00882	12.6
89.02454	100.0
101.02467	39.2
108.02183	14.3
113.02440	23.0
118.03419	7.7
119.03516	38.7
121.02988	16.3
122.03775	17.1
123.04559	15.0
133.02939	9.0
134.03758	9.7
136.01682	24.4
143.03539	12.2
149.02426	23.3
149.06116	12.0
150.03242	95.8
151.04025	31.7
161.04602	17.6
161.05962	7.7
165.05585	90.7
175.04048	9.3
175.07635	8.4
176.04790	14.4
179.05614	67.8
179.07088	13.9
191.07179	26.2
195.06635	45.3
244.90862	9.8
264.07886	17.2
265.05258	10.9
267.06842	9.9
280.07468	14.2
295.09750	22.7
325.10855	13.0
327.12378	12.7
343.11719	9.7
355.11859	75.5
373.12912	14.1
422.83380	7.3
463.17593	52.2
464.18240	8.8
475.17389	16.8
493.18945	15.3
505.65256	8.8
535.18323	25.3
536.18146	7.6
571.15521	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.1
57.19871	2.5
59.01376	9.5
61.98523	5.6
61.98837	100.0
68.99575	4.8
71.01379	6.4
71.28567	3.7
89.02457	7.0
101.02494	3.2
109.02974	5.8
112.98612	3.0
113.02418	3.0
116.92863	5.7
121.02956	6.2
122.03742	4.2
123.00932	2.8
123.04563	3.6
134.03706	3.2
135.04611	2.9
136.01636	4.2
137.02469	9.4
138.03214	6.1
145.02841	3.2
146.03729	13.6
149.02489	6.0
149.06062	4.7
150.03239	10.2
151.04012	5.3
161.02438	3.3
161.06049	3.1
162.03220	7.6
163.03996	10.1
164.04851	14.2
165.01938	11.5
165.05598	9.3
166.02702	12.0
166.06395	5.9
172.92047	2.5
175.03954	2.9
177.01846	2.6
177.05621	6.7
178.02646	3.4
179.03488	7.6
179.07161	28.9
181.05025	3.0
181.08722	12.6
191.03383	3.2
193.05116	8.0
195.06639	10.6
209.04410	5.8
249.05373	3.0
253.05051	4.1
265.05099	4.8
267.06686	4.7
268.07260	5.4
282.08798	7.3
296.06805	3.6
297.07587	2.6
297.11197	3.0
299.09308	3.0
311.09299	6.4
323.09326	3.6
326.08057	7.0
341.10236	18.7
342.10620	3.0
345.13373	7.7
371.11368	81.0
372.11722	12.0
373.12711	3.2
373.25671	3.7
389.12604	4.5
471.73834	3.5
535.17993	9.1
571.14398	5.4
571.28632	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54356	0.3
56.63886	0.3
59.01385	6.5
60.69538	0.3
61.98833	3.3
69.01602	2.0
69.02023	2.1
72.99323	2.4
74.20580	0.4
74.70573	0.3
90.93575	0.5
99.04527	100.0
100.04868	2.0
125.09726	0.3
128.07498	0.3
138.06815	0.5
149.72272	0.4
173.70064	0.5
271.26117	0.4
280.91370	0.3
343.19290	0.4
370.96518	0.4
377.24908	1.0
383.11212	0.6
453.30081	2.3
467.28149	0.4
511.27032	2.7
543.43921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40381	1.4
59.01358	2.2
61.98827	2.8
62.44864	1.4
68.99831	11.1
71.20142	1.6
71.37053	2.3
74.45955	1.6
89.02468	2.0
93.03471	3.6
96.55637	1.7
108.02187	37.6
109.02949	6.3
121.02969	15.2
122.03766	17.8
123.00903	7.7
123.04546	24.8
125.02417	1.6
132.02266	7.8
133.02945	3.3
135.04535	2.4
136.01675	1.9
137.02448	5.5
138.03250	10.3
140.01808	1.6
147.04527	4.0
148.01704	3.9
149.01291	2.8
149.02451	41.7
150.03242	100.0
151.03847	3.5
153.05557	2.9
160.01608	2.6
161.02492	8.3
162.03226	18.6
163.04012	9.0
164.04807	9.0
165.05585	77.7
166.06377	29.3
167.07118	9.2
176.04918	1.7
177.05588	25.3
178.02718	43.7
179.03304	5.5
179.07086	2.0
180.04253	6.5
181.05151	2.0
181.08733	17.3
193.05070	67.1
194.05515	3.1
195.06630	44.2
196.07117	1.8
205.05006	2.0
212.04710	2.3
241.04990	1.9
256.03687	2.3
263.13098	2.3
267.06815	2.2
271.09756	5.3
283.09958	2.2
287.09335	2.3
297.07700	3.8
301.10873	1.7
303.12372	2.6
311.09308	4.1
314.11517	11.1
315.08737	2.8
317.10452	2.5
327.08810	5.7
327.12460	3.3
329.10641	2.4
329.14145	14.9
330.11090	7.9
345.13474	29.7
357.13358	9.8
359.11212	5.6
375.14499	3.8
376.20325	1.8
389.07584	3.0
389.12418	29.5
541.20825	6.1
571.21832	72.2
571.34198	4.2
572.21973	8.2
573.75629	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73481	1.6
57.03458	3.3
57.09409	1.7
58.47583	1.4
59.01385	21.1
61.98832	7.3
71.01379	12.3
71.31773	2.4
73.02937	3.1
81.63515	1.4
83.05013	3.5
85.02959	5.1
87.00877	2.0
89.02448	5.1
95.05054	2.0
97.02962	8.8
97.06601	1.7
99.04507	2.0
101.02470	4.5
103.04030	6.6
105.07111	2.6
107.05054	2.6
108.02200	2.7
108.05791	3.3
109.02974	5.2
109.06623	2.1
111.04530	11.4
111.08165	1.4
113.02475	2.2
113.06109	7.7
119.03503	2.5
119.08656	2.3
121.06604	1.9
122.03761	7.0
123.04537	3.7
123.08190	6.8
125.02424	3.1
125.06107	8.7
131.03537	2.3
136.05299	8.9
137.02448	2.7
137.06076	4.0
137.09761	1.8
138.06914	11.3
139.07663	27.3
148.05289	4.6
149.06033	2.2
150.03271	4.8
151.07663	52.0
152.04808	4.8
152.08430	20.1
153.09210	11.4
159.11812	3.1
161.04654	2.6
161.09749	4.5
162.03267	2.5
163.07681	6.6
164.04839	1.7
165.05573	5.0
167.07199	4.0
177.05641	2.9
178.02779	1.7
189.09201	2.0
193.05014	4.1
195.06636	2.4
201.12871	22.9
203.10846	9.8
204.11563	31.6
208.52768	1.5
219.13907	61.4
220.14230	3.2
229.45435	1.4
263.12903	100.0
264.13220	6.1
287.95059	1.5
373.26126	4.0
426.70313	1.5
511.29205	2.0
529.26306	1.9
553.11938	2.1
571.21240	4.1
571.28619	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2892
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
61.98828	0.7
63.88517	0.6
64.49432	0.6
69.10390	2.8
69.10819	3.1
69.54084	0.7
70.85999	0.7
78.95911	63.3
80.90514	0.7
88.25012	0.6
95.08803	0.6
95.54942	0.7
96.96976	15.6
150.98012	0.9
152.99611	57.6
153.99873	0.8
155.91753	0.7
186.86626	1.5
188.86299	0.9
223.00128	2.0
223.40739	0.8
241.01212	29.3
242.89262	1.2
255.23317	65.3
256.23669	4.0
259.89365	0.7
269.04254	0.7
315.04922	11.6
391.22626	6.3
533.57709	0.7
536.85352	0.7
550.33252	0.8
571.28906	100.0
572.14734	0.8
572.29126	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
61.45566	0.7
61.45858	0.5
70.96214	1.5
77.64105	0.6
78.95911	60.2
91.03147	0.7
96.96968	12.4
108.32968	0.6
140.60530	0.7
150.98047	0.8
152.99600	58.5
153.99930	0.9
160.30084	0.6
219.44235	0.7
223.00107	1.7
240.98688	1.2
241.01201	33.2
255.23317	71.3
256.23602	4.8
315.04889	11.5
352.55917	0.7
391.22552	5.7
571.28912	100.0
572.29541	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.2
59.01388	11.2
61.98830	5.2
69.35551	2.0
69.35954	4.7
71.01382	3.9
73.02959	2.1
78.91872	2.3
83.01392	1.4
83.05061	1.4
83.99281	1.0
85.02956	1.9
87.00880	1.0
89.02448	1.8
93.03473	1.4
97.06587	1.3
98.22504	1.3
99.04533	1.3
101.02450	1.7
107.28633	0.9
119.62942	0.9
125.02444	2.5
125.09720	1.2
161.02431	1.0
161.04527	1.4
171.10242	4.9
173.04543	1.0
185.11876	2.2
203.06474	0.9
343.24933	2.1
355.24951	2.4
368.20395	0.9
371.24496	2.0
373.25977	100.0
374.26321	8.3
463.56204	1.0
511.29050	4.6
571.28809	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63491	0.7
57.03443	1.3
59.01093	1.3
59.01384	23.9
61.98839	4.5
66.46167	0.7
69.94700	3.0
71.01390	4.1
73.02956	1.1
79.56649	0.7
84.38260	0.9
85.02958	1.7
87.00871	1.0
89.02456	2.0
101.02448	2.9
102.10105	0.7
113.02439	1.6
123.04564	1.0
125.02419	0.8
125.09700	0.9
135.04489	0.7
137.02521	0.7
139.07683	0.8
161.04559	2.0
165.05586	0.9
171.10281	2.9
177.01735	0.8
179.05643	0.9
196.51541	0.6
211.35837	0.7
285.20593	0.9
355.24890	1.7
371.24335	3.0
373.25967	100.0
374.26300	7.3
425.25458	1.7
493.28271	1.4
511.28857	3.0
528.26587	1.3
571.28851	8.6
572.29156	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2914
Annotation	Bacobitacin A
Peak:m/z	Relative Intensity
59.01385	100.0
60.14405	0.6
61.98818	0.8
69.11111	6.5
98.22539	1.6
125.85001	0.7
139.07675	7.5
191.14169	0.7
221.74823	0.7
257.56332	0.7
341.40506	0.7
346.80496	0.8
511.27051	16.2
512.27783	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01677	1.3
60.02218	1.2
61.98835	19.9
65.88427	1.0
66.89440	1.0
69.23027	0.9
71.01376	4.7
73.02934	1.5
80.43094	1.0
85.47120	1.2
87.00897	2.0
89.02441	5.6
97.02936	3.0
101.02448	3.1
125.02451	1.2
131.03468	3.0
139.07628	6.4
148.27345	1.0
149.04553	1.8
162.83218	1.1
163.23509	1.1
178.15318	1.2
191.05592	1.3
217.12280	1.1
229.32840	1.7
280.77020	1.1
290.46146	1.2
379.21130	1.5
434.41980	1.1
436.27267	1.3
511.27020	16.8
512.27094	2.0
528.26721	1.4
571.24518	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2919
Annotation	Bacobitacin A
Peak:m/z	Relative Intensity
59.01385	100.0
60.35932	0.8
61.98834	9.5
66.42638	0.8
69.64967	3.0
75.00873	1.7
97.83165	0.7
99.04527	8.6
123.08165	0.9
139.07622	1.5
158.39447	0.7
166.95825	0.7
197.51250	0.8
449.27078	1.6
467.27905	2.7
511.27014	12.2
512.27271	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2919
Annotation	Bacobitacin A
Peak:m/z	Relative Intensity
53.25031	0.3
54.46955	0.3
55.88602	0.3
58.53919	0.3
59.01384	100.0
60.01710	0.8
61.98839	1.0
70.07840	0.7
70.08220	0.6
71.01387	0.6
73.67561	0.3
74.14516	0.3
86.90639	0.4
89.02446	0.4
94.03579	0.4
97.02983	0.5
97.57704	0.4
109.06581	0.4
139.04082	0.8
149.09746	0.6
154.75439	0.5
397.22647	0.8
467.28082	1.0
511.27039	19.0
512.27332	2.5
529.26709	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2919
Annotation	Bacobitacin A
Peak:m/z	Relative Intensity
59.01090	1.4
59.01382	26.5
61.73137	0.6
61.98834	39.0
69.03483	1.0
69.08977	6.7
74.57060	0.7
87.54523	0.7
97.02952	3.3
113.02385	0.6
137.06116	1.1
139.07660	100.0
140.07999	3.4
151.07611	1.6
164.83566	0.9
187.99596	0.6
192.61124	0.6
367.32639	0.7
371.18619	3.3
449.26953	0.8
467.27826	2.2
493.25479	1.5
511.27029	30.8
512.27356	4.4
536.72101	0.8
571.29205	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2916
Annotation	Bacobitacin A
Peak:m/z	Relative Intensity
59.01385	100.0
61.98842	3.4
69.14367	4.1
75.00893	0.8
75.06396	0.5
85.02975	1.1
87.00883	0.9
106.83229	0.6
134.18927	0.5
161.70049	0.4
423.25772	1.0
511.26993	9.8
511.34152	0.8
512.27808	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98836	41.7
71.31296	2.0
73.15955	1.2
75.00876	4.3
84.73907	1.1
95.08664	6.6
99.04520	8.1
116.55811	1.5
123.08202	7.1
129.94527	1.2
147.73724	1.2
167.07162	35.0
201.72380	1.1
204.75316	1.2
209.95813	1.1
209.98155	1.2
299.20096	2.7
343.19241	5.2
439.28592	2.6
453.22745	3.6
511.27005	21.7
512.27332	3.5
571.30145	1.5
587.84045	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70175	0.8
59.01385	100.0
60.01711	1.5
61.98837	1.6
65.59317	0.8
71.01392	11.3
73.02941	4.5
78.95905	1.4
83.01411	1.6
83.05058	1.2
83.75871	0.7
85.02946	4.4
89.02453	4.4
93.03455	1.5
99.00899	1.7
101.02459	7.4
108.36273	0.9
109.02929	1.1
111.04527	2.0
113.02457	6.4
118.31286	0.8
119.03512	1.5
123.04521	1.0
125.02456	1.5
137.02509	1.2
149.04582	0.9
150.03249	1.4
159.03004	0.9
161.04593	8.2
171.10269	0.9
179.05617	1.2
218.48549	0.9
243.74884	0.9
349.23975	1.3
373.25980	11.9
409.12274	1.0
425.25546	11.0
426.26041	1.4
438.28995	0.9
510.26068	1.1
511.29172	15.2
512.29633	1.9
528.26917	7.4
529.27582	1.1
571.30023	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80004	1.6
57.84562	1.7
59.01386	100.0
61.98835	6.5
67.16956	1.5
71.32233	3.1
87.55361	1.5
99.04517	3.2
157.54208	1.6
215.45830	1.7
230.97775	1.9
332.62961	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79043	0.5
58.99875	0.4
59.01384	3.4
60.34096	0.4
61.98834	100.0
71.73956	0.6
72.87091	0.5
108.02219	0.4
112.81288	0.5
199.58588	0.5
237.80005	0.5
542.95068	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	12.0
59.01389	26.2
61.73809	4.7
61.98823	17.6
69.02810	41.7
69.03442	5.1
71.01384	12.5
73.02957	10.4
75.55241	4.1
83.05038	6.2
85.02968	6.3
89.02464	8.7
93.03447	4.9
95.05048	11.2
97.02945	34.4
101.02418	8.1
109.06621	5.1
119.05109	5.3
121.06567	4.5
122.03816	7.9
123.04535	5.4
125.02455	7.4
131.08679	5.9
135.04439	4.9
136.04095	22.3
136.04973	5.6
137.06094	100.0
139.07677	4.4
149.02399	5.7
149.06085	7.0
156.79822	5.5
161.04596	4.8
161.09743	8.8
163.07677	9.2
166.08708	7.8
193.08704	8.8
194.08156	11.3
225.09286	5.5
251.10709	5.2
259.13403	16.5
292.11954	33.1
293.11942	6.8
294.12848	5.3
311.12842	12.7
329.13382	5.1
334.12949	22.9
351.15970	31.8
369.17157	23.5
387.19547	7.4
393.17267	8.9
397.22223	10.1
405.20782	12.5
413.16077	9.8
423.22040	5.4
431.18680	10.9
437.15933	7.8
449.19571	54.3
455.16937	8.4
467.20892	12.4
493.18564	6.3
511.19659	27.6
529.20618	49.0
554.19940	9.3
572.21539	20.7
573.19556	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04842	3.3
57.02244	3.5
57.03451	7.5
58.90294	3.8
59.01372	7.9
61.98835	6.4
69.03459	8.2
70.95050	4.9
70.95382	5.5
71.01425	5.6
72.14423	3.8
85.02950	7.2
95.05049	8.5
97.02966	65.5
98.02504	4.8
106.19093	3.5
107.05007	4.8
109.06625	4.6
110.02493	17.8
111.08167	4.3
112.04081	8.4
121.06610	6.8
122.03740	7.9
123.08199	4.4
125.02398	5.6
131.08698	10.9
136.04063	66.2
137.06096	68.3
147.08185	5.4
149.06096	7.3
149.09700	5.2
151.03996	5.0
161.04701	4.9
161.09709	5.6
163.02840	4.5
163.07596	8.3
165.09227	9.4
166.08730	11.1
173.09676	4.7
177.05630	4.8
178.05023	7.1
190.08719	6.1
191.10902	3.4
191.26517	3.9
193.08734	14.8
194.08218	36.5
209.08188	6.1
220.06238	7.1
236.09303	7.5
237.12599	3.9
259.13431	11.6
266.09488	3.8
279.09268	3.7
292.11929	100.0
293.12030	11.4
311.12970	9.7
316.11807	6.3
334.12979	92.7
335.13235	6.0
351.16003	10.4
369.17340	11.1
397.21701	4.1
407.18719	4.3
413.16068	9.5
428.16782	4.2
431.18570	6.1
446.18335	4.9
449.19678	22.6
450.19818	3.9
493.18573	8.8
511.19858	3.9
527.24829	7.4
528.22040	4.2
541.56409	4.0
554.20410	18.1
572.13324	5.3
572.21271	36.0
573.20911	12.0
590.27924	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84247	0.3
59.01384	1.9
59.57328	0.4
60.01700	0.4
61.01778	0.4
61.98833	100.0
69.35915	2.9
72.82084	0.4
77.85912	0.4
96.09961	0.3
98.21180	0.4
117.15131	0.4
119.25941	0.4
146.04025	0.4
210.46654	0.3
242.06837	0.4
290.61426	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
67.48059	0.2
93.64784	0.2
248.38190	0.2
289.43903	0.2
316.04538	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55662	0.7
58.66076	0.6
59.01382	2.1
61.14650	0.7
61.98834	100.0
75.74266	0.7
78.91898	1.4
155.62468	0.7
303.82224	0.7
319.58209	0.8
327.93872	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55128	0.3
59.01385	2.8
59.18419	0.3
60.01720	0.3
61.98834	100.0
127.47847	0.3
140.42322	0.3
187.81558	0.3
512.27350	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29385	0.6
55.21742	0.5
56.51827	0.5
59.01383	19.8
60.01712	2.0
61.98836	100.0
63.98526	0.5
69.08983	6.3
71.01382	3.1
78.91905	2.7
83.01427	0.6
87.00879	0.6
89.02454	3.1
89.53214	0.5
97.02986	0.6
98.22614	0.7
99.04522	0.7
101.02457	1.4
113.02463	1.2
131.03545	2.2
139.07668	4.1
149.04610	1.3
154.51842	0.6
161.04645	1.1
191.05605	1.2
209.11958	0.8
219.13972	1.0
277.74200	0.8
381.23041	2.4
397.67386	0.6
467.28656	0.6
511.27509	1.0
512.27460	2.3
513.27582	3.3
529.28351	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21178	2.0
50.96731	1.8
55.01868	2.4
57.03440	3.5
59.01380	98.1
60.01709	3.4
61.98835	34.6
69.03437	2.6
71.01386	59.8
72.99295	3.2
73.02956	15.6
83.01376	9.2
83.79995	2.1
85.02946	22.0
87.00867	2.2
89.02451	67.6
97.02968	2.9
98.22159	14.2
99.00881	8.6
101.02446	56.9
109.03008	2.5
113.02477	17.1
119.03491	6.4
125.02480	5.1
131.03517	42.0
137.06039	2.5
143.03500	5.4
149.04562	74.0
161.04549	10.4
161.05786	2.3
179.05641	2.3
191.05632	46.1
240.82954	2.3
251.07672	6.8
311.09839	4.3
322.84000	2.2
397.22339	100.0
398.22687	6.6
512.27374	6.5
529.26709	29.3
573.19763	10.3
597.01660	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21178	2.0
50.96731	1.8
55.01868	2.4
57.03440	3.5
59.01380	98.1
60.01709	3.4
61.98835	34.6
69.03437	2.6
71.01386	59.8
72.99295	3.2
73.02956	15.6
83.01376	9.2
83.79995	2.1
85.02946	22.0
87.00867	2.2
89.02451	67.6
97.02968	2.9
98.22159	14.2
99.00881	8.6
101.02446	56.9
109.03008	2.5
113.02477	17.1
119.03491	6.4
125.02480	5.1
131.03517	42.0
137.06039	2.5
143.03500	5.4
149.04562	74.0
161.04549	10.4
161.05786	2.3
179.05641	2.3
191.05632	46.1
240.82954	2.3
251.07672	6.8
311.09839	4.3
322.84000	2.2
397.22339	100.0
398.22687	6.6
512.27374	6.5
529.26709	29.3
573.19763	10.3
597.01660	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69036	2.5
51.66315	2.4
51.66563	2.7
57.03436	3.3
59.01103	2.6
59.01384	45.4
61.98835	100.0
63.01691	2.1
71.01385	39.2
72.99281	2.9
73.02949	9.2
73.67093	2.3
75.00868	4.2
80.89955	2.6
83.01383	4.4
83.05014	5.8
85.02953	12.7
87.00876	6.0
89.02454	38.7
91.59595	2.6
93.03485	3.5
97.02988	4.4
98.22646	5.3
99.00887	3.1
101.02438	28.2
111.00915	2.6
111.38297	2.3
113.02454	16.0
113.76252	2.8
119.03533	6.6
119.85108	2.7
120.54063	2.3
121.03008	2.3
125.02445	8.4
125.06024	2.5
131.03529	20.0
136.52303	2.5
137.02405	3.3
137.06157	2.2
143.03529	3.2
147.80397	2.3
149.04572	22.8
159.02771	2.4
161.04564	12.6
173.04576	3.6
179.05658	5.9
186.64418	2.4
191.05644	9.2
373.25720	2.6
397.22333	26.8
414.81552	3.0
512.29358	5.5
527.25616	3.9
529.26599	46.6
530.27338	6.3
572.30151	3.0
573.26965	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	16.3
61.98832	100.0
64.45306	1.3
69.56335	9.1
71.01380	2.8
71.77271	1.4
73.02940	1.4
81.37080	1.3
83.39966	1.7
89.02447	3.9
92.72498	1.2
97.02940	3.7
99.04539	2.8
101.02431	2.0
139.07648	3.3
190.65356	1.4
191.05659	3.4
233.15454	1.5
235.09627	1.5
265.05405	1.4
381.23346	1.5
383.11523	2.9
453.22809	3.7
471.23938	3.5
513.28632	2.1
525.24774	1.8
529.28223	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43603	3.8
53.62919	4.0
59.01386	61.4
61.98835	79.0
69.35105	13.8
69.35535	17.9
71.01378	11.2
78.13782	3.6
78.91901	60.2
80.91692	100.0
89.02455	17.1
98.22493	7.7
119.03559	5.8
131.03520	11.2
139.96771	4.0
149.04517	8.9
512.27173	11.6
513.28308	5.7
529.28070	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	24.5
61.98836	100.0
70.04927	9.8
70.76434	3.8
74.05194	3.3
85.02984	6.9
85.40980	3.0
102.67286	3.3
117.58166	3.6
119.23184	3.8
151.46660	3.3
153.34453	3.5
162.98344	3.5
172.15417	3.3
174.23105	3.1
266.52441	4.0
373.30704	4.1
534.20929	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06595	1.8
59.01395	10.3
60.41613	1.9
61.98836	100.0
62.59998	1.6
69.00571	3.5
69.00974	16.2
75.00874	15.1
78.95913	2.0
79.86697	1.6
87.00886	2.4
126.81844	1.5
138.11909	1.6
139.07742	1.9
151.07921	1.7
154.28123	2.0
201.36816	1.8
209.11777	2.5
236.37271	2.1
253.09172	2.3
271.40549	1.7
293.21103	13.0
324.27563	2.0
384.43774	1.7
404.51920	2.1
482.29160	2.0
529.28137	8.0
545.78888	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	11.9
59.52944	0.9
60.01708	1.0
61.98834	100.0
69.05459	9.4
69.23680	0.9
71.01392	5.7
76.92454	1.0
77.71511	0.9
85.02926	1.9
87.00866	1.2
87.04540	1.2
89.02441	4.3
101.02456	4.1
113.02451	1.6
122.81535	1.0
131.03482	1.7
133.19513	1.0
139.07639	1.3
149.04541	3.0
161.04491	1.6
177.94160	1.0
191.05606	2.1
297.37683	1.2
328.41901	1.0
360.16177	1.1
397.22314	4.1
529.26514	4.3
537.74847	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15107	3.8
53.42016	3.6
61.98837	24.2
71.31393	5.8
71.77784	3.3
72.28635	3.3
78.23639	4.0
78.95906	6.1
80.61396	3.4
86.63960	3.5
126.50372	4.7
128.24892	3.5
152.01575	3.7
186.86475	4.0
261.30365	3.7
509.32483	100.0
510.32855	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22422	1.2
57.03436	1.6
60.15709	1.2
61.98837	26.6
69.04123	9.4
72.42744	1.1
78.95898	1.9
91.02225	1.1
98.22546	2.2
102.60375	1.2
181.64793	1.2
242.85287	1.2
245.09949	1.1
355.26300	2.2
421.27051	1.9
499.34402	1.3
509.32492	100.0
510.32953	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23996	1.5
57.03445	1.9
59.01365	2.5
68.98538	1.5
68.98819	16.9
75.42684	1.7
76.34194	1.7
78.91920	1.7
83.01387	2.5
89.04022	1.6
108.02165	2.1
109.02930	8.4
119.45078	1.5
121.02960	7.7
123.04532	4.0
125.02468	11.0
133.03003	2.7
137.02495	4.2
147.04514	2.4
149.02438	4.8
150.03250	2.9
151.03970	1.9
159.04539	4.9
161.02480	16.4
163.00381	14.6
164.01201	2.1
164.04810	2.0
165.01907	4.0
165.05573	3.0
171.04565	3.4
173.02490	2.2
173.06110	3.4
175.04042	6.8
176.01123	16.9
177.01938	20.4
177.05540	2.5
183.04500	4.1
185.02493	2.1
185.06029	3.3
185.28058	1.7
187.04103	2.9
188.01140	1.9
189.01933	7.2
189.05655	2.0
195.04530	2.3
195.06522	1.8
197.05952	2.1
198.03185	2.5
199.03983	4.9
201.01958	2.9
204.08080	1.9
205.05217	3.0
211.04066	8.4
212.04828	2.1
213.02103	2.0
213.05533	4.2
214.02664	2.9
215.03508	7.9
216.00647	7.3
217.05081	9.1
221.06320	2.1
223.04005	2.3
225.05579	5.0
227.03516	11.4
229.05093	2.5
237.05571	3.1
239.03522	6.7
240.04268	3.6
241.05029	8.9
242.02232	6.1
243.03026	7.4
245.04488	3.4
251.03552	1.9
253.05087	6.1
255.03038	24.6
256.03732	3.9
257.04565	7.3
263.03625	1.9
265.05103	2.3
267.03101	4.5
268.03674	1.9
269.04547	9.8
279.03116	2.5
280.03998	1.8
281.04605	5.2
282.01617	2.1
283.02515	50.0
284.03201	21.1
285.04059	85.1
286.04407	2.8
289.07416	2.9
295.02652	2.1
296.03253	5.2
297.04086	11.7
298.04813	2.4
299.05447	2.3
308.03296	2.1
309.04059	1.9
323.05493	3.7
324.02689	3.1
325.03610	16.7
326.03964	2.7
327.05063	4.1
331.06348	2.0
339.05167	5.6
423.07150	2.4
429.06378	6.6
437.88852	2.1
447.07242	100.0
448.07635	17.0
449.08426	2.0
451.06680	4.3
487.10510	2.1
490.33795	2.0
511.10373	2.9
529.11560	12.0
573.10345	38.2
573.19098	2.3
574.10547	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40477	2.0
50.76336	1.9
69.21102	15.3
74.51413	2.2
90.11429	1.9
90.59312	1.7
94.62995	1.8
96.98933	1.9
98.21803	3.8
100.47237	1.9
109.02952	6.5
121.03007	4.6
123.00846	2.3
125.02450	12.3
132.29886	2.1
133.03006	2.8
135.04504	2.2
137.02379	3.5
149.02475	5.6
151.03923	2.0
159.04526	3.1
161.02425	15.0
163.00360	17.3
163.03967	2.9
164.01164	2.7
165.01979	3.0
171.04543	5.0
173.02487	4.9
173.06047	2.8
175.04027	7.4
176.01186	20.2
177.01979	21.5
183.04567	5.8
187.03996	5.7
189.01942	10.6
195.04555	2.2
197.06009	2.1
198.03430	2.1
199.03995	7.9
203.00026	2.3
203.03598	3.1
211.04095	12.0
213.05563	3.9
214.02652	2.3
215.03497	6.1
216.00691	6.3
217.01373	2.5
217.05077	8.0
224.04825	3.8
225.05627	3.2
227.03618	10.4
229.05017	2.5
236.04811	2.9
239.03578	7.0
240.04283	3.1
241.05118	7.6
243.02963	3.3
245.04546	5.5
247.10246	2.0
250.42442	2.1
253.04993	3.4
255.02983	22.7
256.03897	5.8
257.04684	4.8
267.02985	3.9
269.04584	5.6
279.02835	2.4
281.04550	6.3
282.01730	3.4
283.02475	44.7
284.03238	19.6
285.04065	75.7
286.04227	4.3
289.07141	2.6
293.04532	3.1
295.05914	2.6
296.03375	5.7
297.04071	12.1
298.04684	2.6
323.05569	4.2
324.02515	2.7
325.03534	23.8
337.03400	3.4
339.05136	6.9
422.41562	2.4
429.06067	4.3
447.07236	100.0
448.07870	18.4
511.11102	2.7
529.11499	12.4
545.11243	2.4
555.09198	3.3
573.10406	34.9
574.11127	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63261	1.3
59.01384	4.4
61.98848	2.5
62.38929	1.1
69.46227	7.8
71.01392	2.8
89.02460	4.5
98.22484	2.5
101.02464	2.3
108.02182	57.9
109.03008	2.8
119.03534	2.6
123.00906	4.9
123.04537	64.7
125.02460	3.3
133.03081	1.4
135.04565	3.6
135.11816	1.4
137.02437	2.5
142.55818	1.1
149.02498	1.7
151.04025	1.7
161.02348	1.8
163.00311	1.3
175.03999	5.0
176.04866	1.1
177.01974	2.0
179.05678	6.6
179.07104	1.6
180.07889	5.1
181.05165	1.1
190.02682	1.1
195.06656	2.1
200.85753	1.2
206.05869	12.2
207.06619	10.2
211.04039	1.2
221.08194	48.1
222.08479	2.7
283.02499	2.0
285.04062	3.8
330.11063	3.4
345.13458	100.0
346.13773	8.8
357.13406	2.8
417.79739	1.3
437.79889	1.2
447.06897	2.0
507.18732	41.2
508.19180	3.1
555.09253	2.4
573.10443	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02845	1.5
57.03450	2.1
59.01372	3.2
61.98849	3.1
68.99840	3.0
71.01376	1.8
72.66354	1.5
85.02942	1.6
89.02505	2.9
92.79010	1.5
97.02927	2.4
101.02437	2.3
108.02160	8.7
109.02962	4.2
121.02962	2.1
123.00928	4.3
123.04508	11.2
125.02461	5.6
131.03514	2.2
138.03235	4.1
148.01738	1.4
149.02403	2.0
150.03239	5.5
151.04018	3.4
161.02429	7.1
162.03203	4.5
163.00323	1.6
163.04025	4.3
166.06410	4.5
177.01888	1.7
177.05588	9.9
178.02716	12.4
179.03488	4.4
181.08763	2.8
190.29794	1.5
191.05675	1.7
193.05067	23.8
241.05220	2.2
243.87401	1.6
283.02612	4.3
285.04007	6.2
285.06866	1.9
289.07239	4.0
345.13382	6.1
375.14499	100.0
376.14658	8.2
411.07202	1.5
411.19299	1.8
447.07178	4.9
573.10156	2.7
573.22357	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01018	1.3
54.93456	1.6
56.81876	1.3
57.03431	3.3
59.01395	10.3
69.03466	2.3
69.33623	9.9
71.01373	5.4
73.02953	3.4
78.91872	1.7
80.91691	23.9
85.01474	1.4
85.02958	2.7
89.02446	5.9
89.58586	1.6
93.03477	2.9
96.96000	1.9
97.02944	6.6
100.08022	1.3
101.00935	2.1
101.02444	3.3
102.98910	1.7
108.02163	2.3
109.02944	2.7
109.06593	3.3
112.98991	1.3
113.02441	2.2
117.00421	8.3
121.02930	1.7
121.06606	1.8
123.04538	5.2
123.08173	1.6
123.67027	1.3
125.02447	3.5
131.03511	1.9
135.04565	2.7
135.08182	3.8
137.02441	3.7
137.06067	2.3
141.01721	2.5
145.02962	1.4
149.02399	1.8
149.06059	2.0
150.03253	3.3
151.00386	2.2
151.04068	1.4
151.07622	1.4
153.41835	1.5
161.09740	2.5
163.11359	3.0
164.04805	4.1
165.05531	4.3
166.02716	1.9
171.01547	1.6
175.07649	1.9
177.01918	2.1
177.05565	2.4
179.07190	2.7
180.07838	1.4
181.05093	2.1
189.09216	2.0
195.06680	3.0
196.31715	1.4
201.02461	1.9
205.08913	1.5
207.10271	2.2
227.03584	1.6
229.05000	1.3
255.02945	2.6
255.10320	3.1
257.04483	1.7
269.11923	2.2
270.12674	2.1
283.02594	3.0
283.09756	17.6
285.04153	7.7
289.07120	3.4
290.07462	1.5
291.07587	2.5
295.09784	2.7
296.10364	2.0
298.12170	2.7
310.12097	1.9
311.09277	49.0
312.09705	3.3
325.10995	7.7
326.11627	41.9
327.12079	2.0
327.80960	1.4
341.13950	100.0
342.14374	8.8
375.14642	2.7
408.10745	2.1
423.13986	9.1
447.06992	2.9
455.12082	3.3
457.18781	1.8
483.15030	5.4
519.20483	3.3
573.11011	2.4
573.19714	55.0
574.11578	2.1
574.19934	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1979
Annotation	Steffimycin C
Peak:m/z	Relative Intensity
57.03439	1.7
59.01374	1.3
60.06359	0.6
61.56660	0.7
63.55590	0.6
65.77138	0.6
69.03462	0.7
70.61728	1.5
70.62066	0.9
71.01387	1.0
71.05014	1.6
72.99309	1.8
73.02955	6.5
85.02970	1.0
87.00861	1.0
87.04536	0.8
95.05025	0.7
99.04504	1.2
101.02463	0.7
106.04259	1.4
107.05064	2.0
109.02960	0.9
109.06593	5.2
121.02936	5.1
121.06600	2.6
123.04536	2.4
125.06079	1.3
135.04535	1.0
135.08160	1.0
137.06082	3.0
139.07611	1.0
145.06595	1.8
147.08147	0.8
149.06094	1.7
159.04526	0.9
161.09695	3.7
163.07648	1.2
163.11270	0.9
165.05592	1.5
167.07167	1.6
173.06071	1.3
174.03215	1.4
175.03983	1.1
175.07712	0.8
175.11261	3.5
177.05544	1.2
177.09238	2.3
179.10866	1.6
181.05017	0.8
187.07579	0.9
187.11366	0.9
189.05495	1.5
189.09181	1.4
191.07127	0.9
199.07605	0.8
201.09235	0.8
203.07230	0.6
205.08702	1.8
207.10248	0.8
211.11310	0.6
213.09146	0.8
215.10860	1.2
217.08806	1.1
219.10182	1.0
227.10780	1.4
229.08536	1.0
231.10310	1.3
243.10390	3.3
245.11900	1.5
255.14009	1.0
259.10031	0.9
261.11371	2.0
267.13950	1.9
271.09665	0.8
283.13358	0.9
287.09189	4.0
289.10831	5.9
297.11148	0.7
301.14413	1.0
311.12878	1.7
363.14502	2.7
389.81030	0.7
397.16370	0.8
405.20819	0.8
409.16666	1.0
411.18015	0.9
427.17691	1.0
449.19949	1.4
455.17047	1.2
456.17545	0.8
467.20898	1.2
485.21631	1.4
511.19376	1.1
529.20923	4.2
573.19775	100.0
574.20068	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15409	4.7
59.01384	20.1
61.98828	21.8
62.43373	5.0
71.01380	15.3
71.29639	5.7
72.99328	7.4
73.02951	21.3
89.02459	14.7
89.30914	5.6
95.05003	10.3
97.02980	13.4
99.04520	8.3
101.02480	8.4
109.02953	8.9
109.06618	17.2
120.70044	4.8
121.02956	6.3
121.06616	9.8
123.04546	9.3
125.02512	8.8
125.09727	8.2
134.47221	5.3
137.02490	10.0
137.06117	18.5
138.67123	5.7
142.15715	5.1
153.05598	6.4
157.01563	6.5
161.04646	7.3
161.09761	8.7
163.07608	6.1
165.01938	9.4
175.04027	4.9
175.11336	9.3
243.10184	6.2
245.11864	12.5
269.11429	4.8
273.11310	19.5
285.11380	5.8
285.14932	6.9
396.45834	5.8
398.22531	6.5
405.21085	8.2
423.22488	7.3
431.18881	6.9
449.19739	17.2
451.17764	9.5
467.20563	24.2
493.18542	15.7
511.19788	33.9
529.20758	69.1
530.21222	9.3
555.19067	6.6
573.23962	100.0
574.23761	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17798	1.4
55.01867	1.6
57.03436	5.3
59.01385	22.4
60.41480	1.9
61.98824	2.7
67.71217	1.4
69.03449	2.3
69.25668	12.7
71.01378	4.5
71.04990	2.2
72.99281	3.1
73.02967	9.6
75.00867	1.6
82.99197	1.5
85.02939	3.5
87.00870	2.3
87.04530	1.8
89.02425	3.5
93.03434	1.9
95.05013	3.2
97.02962	2.4
99.04482	3.2
101.02466	1.7
104.86597	1.6
107.04979	2.2
109.02898	4.7
109.06557	5.5
121.02933	3.0
121.06558	5.1
122.03754	2.2
123.04526	10.0
125.02399	2.7
125.06055	3.3
135.04495	2.4
137.02380	2.2
137.06079	9.8
149.06070	3.9
151.03952	4.1
159.04463	2.9
161.09660	4.3
163.04041	1.8
165.01979	1.6
165.05498	2.7
173.09653	2.7
177.05544	1.6
177.09192	2.4
179.10767	3.1
181.05089	2.5
184.05351	1.6
185.06033	1.9
187.07536	2.2
187.11259	1.8
197.09309	1.6
199.07576	2.1
201.09116	2.9
215.10683	2.7
225.09218	2.9
227.10695	6.9
229.08632	2.7
229.12178	2.9
231.10168	1.7
243.10199	3.1
245.11873	1.9
253.12117	2.4
267.13751	3.5
269.11710	2.4
271.09586	5.6
281.11725	3.0
287.09262	2.0
289.10669	2.9
293.11697	1.8
297.11096	1.9
311.12564	2.2
313.14557	1.6
319.17084	1.7
339.12418	1.8
344.62521	1.8
357.13281	2.5
363.14474	1.8
365.17529	2.8
375.14902	2.4
393.16809	10.5
405.20712	9.8
409.16333	4.4
411.17908	5.6
423.21524	4.4
427.17245	2.1
437.16229	8.1
449.19598	12.6
450.19714	2.3
455.16989	12.1
463.17392	1.7
467.20877	18.9
470.19186	1.9
477.19217	1.8
481.18448	6.0
485.21347	4.5
493.18240	6.1
499.19049	6.0
511.19724	35.3
512.19867	3.6
514.18182	3.7
529.20819	100.0
530.20978	9.9
531.21875	6.2
545.20062	1.9
555.18610	3.0
573.19525	72.7
574.19482	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89682	2.2
57.03456	5.5
59.01385	30.3
61.29257	2.4
61.98843	15.7
69.02026	26.1
69.03455	2.4
71.01385	30.0
72.99323	4.8
73.02949	25.6
78.10424	2.4
81.03420	2.6
83.01396	3.5
85.02965	14.2
87.00876	6.1
89.02450	19.7
95.01398	3.8
95.05040	4.5
97.02975	8.7
97.06624	4.2
98.22395	10.7
99.00898	3.8
101.02458	22.8
107.05036	2.3
109.06617	9.9
113.02462	11.2
119.03537	3.1
121.02900	2.7
121.06609	5.8
123.04497	3.0
125.71007	2.7
131.03514	8.6
133.03001	3.0
135.04550	3.3
137.06108	12.0
139.07611	3.2
147.04581	3.6
147.51477	2.4
149.04556	12.0
159.03012	3.1
161.04593	13.3
161.09778	5.7
163.11328	6.1
173.06119	2.4
174.06885	3.5
189.09212	3.8
191.05632	5.3
203.07161	2.7
205.08853	3.6
211.87479	2.6
215.10779	4.3
219.08371	4.2
243.10046	2.9
245.11864	5.0
273.11304	14.3
293.08759	2.5
303.12384	3.9
347.15167	6.0
398.22440	5.9
399.23929	68.2
451.18240	3.4
455.20737	7.2
467.21158	3.2
471.16556	16.8
511.19821	11.7
529.24469	3.4
531.28375	26.8
573.23816	100.0
574.22394	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21856	1.1
69.35517	6.8
69.86178	1.2
86.40025	1.0
93.03473	5.4
99.82562	1.2
109.02960	1.5
121.02968	16.5
122.03759	13.4
123.04642	1.1
133.02956	1.2
134.03761	1.4
135.04533	1.8
136.01697	1.4
137.02380	1.1
147.04475	1.7
149.02455	57.3
150.03241	89.7
151.03732	2.5
160.78258	0.9
161.73808	1.0
164.04828	13.4
165.05585	100.0
166.06375	34.4
167.07007	4.2
175.03993	2.1
178.72092	1.1
180.04286	5.9
181.08723	21.2
182.08998	1.0
182.51627	1.0
195.06631	58.9
196.07036	3.3
227.88983	1.1
249.55522	1.1
267.06671	1.3
269.08209	1.5
285.07721	2.1
313.10809	3.6
314.11649	9.9
314.95795	1.4
329.10486	1.7
329.13937	35.0
330.14407	2.9
343.11896	29.3
344.12286	2.6
377.16199	1.7
391.14041	1.7
525.21350	25.8
526.21521	2.0
539.44501	1.1
577.67462	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11523	2.8
59.98752	2.3
61.98834	2.9
66.87672	2.2
68.99284	24.0
99.92585	77.2
99.94442	2.6
100.92590	3.0
107.05001	3.7
109.06530	3.4
115.92086	52.5
116.92104	4.1
116.92873	47.7
123.04550	3.5
151.03984	3.3
162.03659	2.4
233.96198	9.1
251.97371	18.4
252.98039	3.9
353.28793	2.5
381.31775	3.6
511.25201	6.0
525.23547	2.9
529.26196	6.0
538.84900	3.3
555.24316	8.1
573.25146	100.0
574.25562	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.5
59.01097	4.2
59.01385	78.6
61.98838	32.2
67.01855	1.8
69.03461	10.9
69.36352	15.0
71.01372	6.0
72.99310	12.4
73.02952	2.4
78.91904	14.7
83.05008	2.2
85.02934	5.2
89.02489	4.1
97.02369	3.4
97.02962	46.5
98.22558	2.8
101.02436	3.8
118.57983	1.8
131.03477	3.6
132.03874	2.1
137.06134	12.0
139.07655	2.3
143.12242	2.0
149.04561	2.4
161.04535	2.0
161.09726	2.4
233.15494	7.7
255.14029	3.9
269.15421	4.8
291.19702	5.6
331.64056	1.9
339.15875	3.3
357.17023	13.7
381.22931	6.2
391.71146	2.5
415.21298	100.0
416.21542	8.2
495.23935	10.8
513.25177	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3073
Annotation	(+)-Ganoderic acid K
Peak:m/z	Relative Intensity
59.01383	100.0
60.01723	1.2
61.98834	29.4
69.04338	5.5
75.00906	0.6
99.04552	1.3
187.61496	0.5
302.18344	0.6
311.52835	0.6
413.12469	0.6
513.28583	14.5
514.29095	1.8
558.89392	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06795	3.0
58.38107	3.3
59.01093	5.6
59.01382	100.0
61.98822	7.0
70.78796	4.4
71.53870	3.2
136.13828	3.3
148.74059	3.1
170.31189	3.6
183.41095	3.0
233.38063	3.7
258.94870	3.8
287.34161	3.8
305.48712	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01719	1.1
61.98835	52.1
68.99573	0.9
69.03454	0.9
69.71720	3.9
71.01378	3.9
83.01385	1.2
85.02959	1.6
87.00888	2.5
89.02459	6.0
95.01408	4.6
97.02962	1.8
98.21784	1.0
99.04493	1.0
101.02454	3.1
105.83302	0.7
112.98557	1.3
113.02462	11.2
114.33747	0.9
116.67783	0.9
119.03496	1.4
124.01621	1.5
125.09725	0.9
131.03546	4.2
133.02957	1.8
135.73416	0.8
139.07637	1.3
149.04585	1.8
161.04480	1.2
179.05627	1.1
191.05585	1.0
233.15462	1.0
291.19653	1.9
381.22812	3.5
383.11386	2.5
399.25662	2.5
439.28421	1.6
451.28183	1.0
469.29562	1.7
472.24625	0.9
483.27460	2.3
495.27628	8.9
496.28247	1.3
513.28680	5.5
527.26532	3.3
530.28485	3.2
573.30341	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.51038	0.6
60.01729	0.7
61.98837	33.7
63.72795	0.5
68.63178	0.5
69.08029	4.7
71.01398	0.6
89.02472	1.1
128.81927	0.5
131.03441	0.6
139.07654	0.6
149.04575	0.7
168.88390	0.6
169.67612	0.5
191.05811	0.6
232.28835	0.5
255.11319	0.6
453.27090	0.7
469.29929	0.8
513.28461	3.5
514.29462	0.8
571.74860	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04247	1.3
59.01380	13.3
61.98838	5.2
69.03462	1.4
69.77743	7.2
71.01390	3.8
87.00864	3.1
89.02475	2.2
92.97485	2.2
101.02452	2.1
116.18837	1.3
161.04599	1.3
194.13077	1.3
232.29900	1.2
235.08244	2.3
253.09343	15.0
277.21747	100.0
278.22113	5.4
312.03909	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.7
72.99331	2.4
73.02969	2.9
83.01392	12.1
86.84605	2.8
92.24422	2.2
107.05051	2.4
108.02197	6.3
109.06622	7.1
112.39414	2.3
116.66225	2.6
121.02961	13.9
136.01640	5.1
137.02499	4.6
137.06116	2.5
143.23515	2.2
143.56688	2.8
147.08197	4.8
151.03932	2.3
163.07655	2.7
175.07700	5.4
182.02255	2.6
189.05574	2.8
220.03606	2.6
257.80688	2.4
283.60492	2.7
296.10492	3.3
325.10803	14.9
366.87244	2.5
369.09793	100.0
370.10074	7.2
457.19037	2.4
575.21295	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42782	3.9
57.91676	4.3
58.26402	3.8
59.01373	32.1
61.98835	100.0
65.21989	3.8
68.17474	4.5
69.02557	35.6
69.02959	10.3
71.01374	16.1
73.02952	7.1
85.02958	5.9
86.71721	4.0
89.02474	10.5
89.20459	3.8
98.21965	18.4
101.02461	15.7
108.13507	3.6
113.02473	9.1
129.05618	5.6
131.03487	11.5
138.05669	8.9
149.04501	4.4
161.04562	7.8
182.31825	4.3
238.28525	3.8
248.99985	4.5
266.81375	3.9
275.92685	3.9
294.13498	11.8
318.13586	7.3
336.14490	11.3
364.71045	4.6
381.22662	9.7
382.23474	19.7
437.09439	4.1
514.27356	8.2
531.21783	6.5
531.59973	4.4
574.22809	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93072	4.7
54.37244	4.0
56.82489	5.1
59.01381	22.1
61.98836	100.0
62.31695	4.2
70.57272	7.6
70.57594	7.0
71.01374	11.3
77.21736	4.3
83.05037	5.5
89.02447	8.9
94.15977	4.7
99.00945	4.7
103.88354	4.8
109.98346	5.1
113.80049	4.1
115.87801	5.5
129.95535	4.3
129.96477	4.6
160.87276	5.4
166.95976	4.9
190.15237	5.8
200.21016	4.9
399.23819	14.1
515.29919	7.5
531.21661	23.8
531.29254	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	6.1
59.01371	7.6
61.98818	7.1
71.01365	14.9
72.99301	5.5
73.02952	8.6
85.02969	11.2
89.02465	5.7
95.63395	4.6
97.02952	11.0
99.00846	5.0
101.02450	8.1
109.06564	4.4
110.03757	4.4
114.57668	4.8
125.02434	7.4
137.06100	15.3
161.04562	6.6
161.06108	5.8
350.80740	5.0
369.16315	5.2
395.20773	7.5
513.21033	5.4
528.25378	8.8
531.22296	59.0
574.20111	15.9
575.21436	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.23
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21000	5.2
57.03441	5.3
59.01382	14.1
61.98850	24.3
63.19793	4.6
71.01382	5.8
72.99318	11.5
73.02949	14.1
75.00869	13.7
89.02502	7.6
98.21927	18.4
98.22603	9.7
101.73341	4.2
137.06053	8.7
355.15350	6.0
429.19305	5.2
433.22519	6.1
451.22293	4.7
457.18558	27.9
473.18100	25.8
474.18939	4.5
531.22229	62.5
532.22681	5.5
575.21387	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.23
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24548	2.0
52.57219	1.9
54.31516	1.9
58.08261	1.9
59.01373	3.5
60.42545	1.8
60.54796	2.1
61.98832	100.0
69.00549	16.7
78.67020	1.9
97.64278	1.9
107.74649	2.2
109.69069	2.1
110.02481	3.2
111.08177	2.8
112.04076	2.3
129.05579	9.0
138.05602	9.9
155.07184	3.3
162.05542	2.6
180.06671	3.1
223.65382	2.5
232.13307	2.4
294.13541	16.3
295.13632	3.0
318.13455	9.1
336.14560	15.1
336.54587	2.1
382.12296	2.5
397.46371	2.3
451.20782	2.5
469.22238	2.8
513.21185	2.1
531.22260	3.2
556.21704	4.0
574.22699	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.5
61.75852	0.2
61.98835	100.0
64.35357	0.2
70.93910	0.3
70.94268	0.2
72.15324	0.2
81.21033	0.2
132.36768	0.3
285.04126	0.3
288.51736	0.3
514.28162	0.3
518.71234	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.7
61.98835	100.0
69.07751	0.3
69.34515	2.5
69.91270	0.3
71.01394	1.3
73.02991	0.5
85.02979	0.6
89.02419	0.5
100.68104	0.3
101.02481	1.1
113.02480	1.1
131.03540	1.6
131.04413	0.3
155.09705	0.3
161.04578	0.9
312.50162	0.3
383.24396	2.5
515.29443	1.2
537.91541	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38094	0.6
51.50986	0.6
55.16240	0.6
59.01368	3.0
61.98831	100.0
70.81506	1.0
71.84210	0.5
139.66202	0.5
142.05127	0.5
145.97572	0.5
147.25850	0.6
157.07205	0.5
181.40067	0.6
514.27527	0.9
542.45551	0.6
567.72192	0.6
575.21460	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48695	0.8
59.01373	2.9
61.98834	100.0
63.48545	0.9
67.55579	0.8
69.94688	1.3
69.95081	1.8
74.18385	0.7
78.91895	2.0
84.59632	0.8
98.22462	1.0
395.29193	1.0
464.51022	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55872	0.7
59.01371	0.9
61.98837	100.0
69.79305	3.5
84.20911	0.6
86.78856	0.7
90.47003	0.7
99.13918	0.6
121.79163	0.7
128.01053	0.6
163.92125	0.7
169.51114	0.7
221.75394	0.7
231.02483	0.7
362.23724	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62853	3.7
55.66553	4.1
57.03444	9.5
57.96106	4.1
58.00923	3.4
58.74941	3.8
59.01379	20.0
61.98830	28.6
69.03458	8.5
71.01382	17.4
71.31569	6.2
72.99313	21.6
73.02946	23.5
74.39024	3.8
83.05039	4.7
85.01804	3.5
85.02958	10.6
87.00884	8.9
89.02469	19.7
97.02956	23.2
98.22290	7.3
101.02434	6.8
109.06602	8.2
113.02483	7.2
121.06616	8.5
131.03537	8.6
137.06087	19.4
147.97250	3.8
149.04613	6.3
149.06131	4.9
157.01466	6.9
161.04596	8.0
182.78867	4.5
187.07518	5.3
191.05627	5.5
215.07173	4.6
221.48756	4.3
241.05440	4.9
273.11276	10.2
274.11728	7.8
348.15692	5.2
355.15433	6.5
367.15720	4.7
381.16751	6.6
397.22168	7.2
399.23727	16.2
456.21082	6.2
457.18777	6.5
473.17712	6.0
487.23425	8.8
512.20044	13.1
530.21423	7.5
531.21625	46.1
574.24225	56.6
575.21387	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	80.7
61.98833	100.0
71.01389	31.2
71.29590	11.6
83.63849	10.2
85.02955	20.6
89.02448	41.3
90.95160	11.3
97.02959	27.8
97.75177	8.6
101.02441	35.7
113.02451	17.9
125.02458	20.5
131.03546	20.2
137.06104	14.8
149.04549	26.8
161.04567	22.6
178.83638	10.9
191.05492	11.3
257.69363	8.9
285.04227	11.9
287.16635	16.7
347.18802	19.1
375.18106	34.1
378.95474	12.0
399.23795	70.5
433.22250	72.1
434.23053	11.8
531.28516	46.6
564.48755	11.0
574.23376	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40989	0.5
55.91000	0.5
57.80447	0.4
59.01384	1.2
61.98835	100.0
69.03141	3.6
101.02495	0.7
117.22650	0.5
119.93783	0.4
120.18496	0.4
125.02503	0.5
127.26794	0.6
142.68800	0.5
173.02304	0.5
177.05627	1.0
221.81226	0.5
296.92105	0.5
413.48367	0.5
440.02115	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98812	0.6
53.37824	0.7
59.01392	1.5
61.98835	100.0
69.09311	2.6
69.09735	3.5
78.91863	0.8
93.49872	0.6
97.76374	0.6
105.60806	0.6
114.03802	0.6
139.83130	0.6
203.66087	0.6
518.57050	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37420	0.3
55.40014	0.4
59.01384	8.8
60.01731	1.0
61.01818	0.9
61.98837	100.0
69.75937	0.4
71.01395	2.7
71.32250	0.8
72.95129	0.4
72.99326	0.4
73.02238	0.5
73.02934	0.4
85.02970	0.8
87.00909	0.6
89.02466	1.8
101.02467	1.9
113.02480	0.8
119.03508	0.6
125.02451	0.5
131.03505	1.0
149.04620	1.3
161.04645	0.8
191.05722	0.5
193.95453	0.4
287.05832	0.5
397.22549	0.8
399.23889	2.3
401.09860	0.5
437.91751	0.4
470.43927	0.4
514.27838	1.0
531.28375	0.8
575.23523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37420	0.3
55.40014	0.4
59.01384	8.8
60.01731	1.0
61.01818	0.9
61.98837	100.0
69.75937	0.4
71.01395	2.7
71.32250	0.8
72.95129	0.4
72.99326	0.4
73.02238	0.5
73.02934	0.4
85.02970	0.8
87.00909	0.6
89.02466	1.8
101.02467	1.9
113.02480	0.8
119.03508	0.6
125.02451	0.5
131.03505	1.0
149.04620	1.3
161.04645	0.8
191.05722	0.5
193.95453	0.4
287.05832	0.5
397.22549	0.8
399.23889	2.3
401.09860	0.5
437.91751	0.4
470.43927	0.4
514.27838	1.0
531.28375	0.8
575.23523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.2
61.57487	3.0
61.98850	5.5
63.49626	3.2
69.14292	26.4
70.77586	4.3
71.01394	10.0
72.99276	3.4
73.02956	11.2
85.02963	4.1
87.00874	3.1
97.02967	7.0
98.21709	5.3
98.22413	11.5
101.02454	8.0
123.22019	3.1
137.06079	8.7
161.04550	5.1
290.34445	3.6
399.23859	11.2
465.51773	3.5
503.56003	3.4
531.28033	11.3
574.20215	8.0
575.21387	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.1
61.98834	100.0
66.01131	0.3
69.03245	2.2
69.03658	0.6
85.03947	0.3
89.02493	0.3
113.41830	0.4
127.67512	0.3
162.03294	0.4
177.05580	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	4.5
59.01390	46.1
61.98825	13.5
69.69386	21.4
70.54498	3.7
71.01392	42.7
72.99304	6.2
73.02953	16.1
83.01408	5.8
85.02952	16.6
89.02446	28.3
97.02956	13.6
98.21883	5.6
98.22408	7.7
99.00900	8.1
101.02464	35.1
113.02464	18.3
113.93531	3.4
122.65778	3.7
125.02467	6.3
131.03549	11.4
143.03445	5.5
149.04572	15.0
161.04575	32.9
191.05675	5.0
215.04425	4.2
271.33057	4.0
287.16492	4.9
293.09009	5.9
347.18640	8.3
375.18039	17.4
399.23886	100.0
399.29114	4.8
400.24084	10.2
433.22247	43.5
434.23013	4.0
515.22406	4.2
531.27936	33.2
532.28406	5.7
574.23285	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	2.5
59.01091	4.3
59.01385	79.8
61.98835	100.0
66.69495	2.1
68.78838	2.3
71.01387	51.3
72.99324	4.0
73.02955	4.7
83.01376	2.5
85.02956	10.3
87.00887	5.2
89.02457	68.1
96.87118	2.3
99.00896	2.8
101.02462	35.4
113.02458	16.9
119.03534	19.6
125.02463	8.2
129.01970	2.6
131.03510	36.7
143.03516	4.9
149.04572	48.9
155.13045	2.4
156.56670	2.5
161.04558	7.6
168.52518	2.2
179.05629	16.3
191.05637	27.5
227.03444	4.2
229.05104	2.8
251.07574	2.8
255.03033	9.4
284.03287	8.2
285.04041	29.9
397.22192	2.4
399.23898	29.5
400.24216	3.0
492.32419	2.8
531.28198	17.4
548.61279	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.8
56.51100	1.3
57.03442	4.2
59.01384	17.1
61.98839	8.2
62.16404	1.0
69.27882	6.2
71.01386	21.2
73.02940	8.1
75.00931	1.1
83.01399	4.1
83.05016	0.9
85.02947	12.0
87.00877	2.1
89.02452	6.2
93.03477	1.1
95.01395	1.9
97.02943	1.9
99.00904	3.0
99.04533	1.7
101.02445	17.6
107.01395	2.6
109.02989	1.1
111.00858	1.4
113.02459	10.8
125.02447	4.0
128.71103	1.0
131.03514	11.3
143.03531	1.8
149.04570	2.5
151.00435	3.2
161.04562	16.0
166.22948	1.1
185.06151	1.4
187.04004	1.7
191.05586	1.2
211.03981	1.7
213.05528	1.2
227.03494	20.4
229.05106	7.5
240.04456	1.1
255.02994	32.1
256.03690	2.7
257.04526	6.0
284.03275	33.8
285.04050	100.0
374.26392	1.4
375.27499	1.6
376.27847	2.4
397.22272	1.1
399.23877	44.3
400.24216	4.5
431.09821	4.9
462.40100	1.2
471.49887	1.2
526.89862	1.1
531.28070	37.8
532.28613	2.4
575.14063	12.0
575.23029	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.3
58.00592	2.8
59.01380	50.0
60.51023	2.5
61.98834	100.0
66.29082	2.7
68.99597	3.4
70.15823	11.6
71.01385	48.7
72.99313	5.8
73.02950	12.8
74.87862	2.5
75.00851	4.5
81.03452	3.6
83.01400	7.8
83.05064	5.2
85.02946	18.8
87.00890	7.9
89.02451	45.8
95.01427	2.8
99.00868	5.2
101.02452	34.8
113.02464	22.2
119.03508	21.5
125.02483	17.2
125.87447	3.2
131.03523	15.9
139.07639	3.2
143.03520	5.2
149.04582	16.3
159.03093	3.4
161.04602	17.1
167.03481	3.0
173.61273	3.8
179.05663	12.6
191.05573	7.1
207.78612	3.1
219.74673	3.2
285.03955	4.3
285.92227	3.1
361.83267	3.3
399.23901	95.8
400.24356	9.7
402.95584	3.3
412.24133	8.3
514.31372	4.6
519.13763	2.9
531.28168	31.7
575.25934	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	10.1
61.98833	100.0
69.34976	2.4
69.35373	5.7
78.95912	1.1
80.91690	8.6
82.94921	2.1
82.95422	41.9
89.02428	2.5
94.89647	1.0
96.38319	0.8
99.04491	1.1
101.02476	2.0
118.27914	0.9
173.13242	1.3
219.30333	0.9
294.51331	1.2
367.26398	1.1
411.25504	1.5
455.24216	6.6
458.24640	1.0
469.29626	4.3
513.28546	10.8
514.29041	1.2
531.29761	1.5
559.75012	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1199
Annotation	Dehydrodicatechin A
Peak:m/z	Relative Intensity
57.03465	2.2
57.10183	1.1
57.73945	1.0
59.01376	1.5
64.85094	0.9
69.03461	1.2
69.29107	8.4
71.05013	1.1
76.06445	1.0
81.03484	1.8
83.01389	4.2
95.05013	1.8
96.96043	2.9
96.96952	1.8
97.02956	2.5
104.41644	1.0
109.02973	6.5
121.02960	3.0
122.03768	7.1
123.00948	1.3
123.04532	6.4
124.01649	1.2
125.02461	25.5
133.02975	2.3
135.59995	1.1
137.02466	27.3
139.04092	1.4
143.05034	1.5
146.03731	1.8
147.04553	1.6
148.38989	1.3
149.02489	3.7
151.04027	3.2
159.04526	3.5
161.02449	16.3
162.03224	3.4
163.00398	2.2
163.04021	3.2
164.01190	3.9
165.01947	7.8
167.03510	4.2
171.04535	2.3
174.03302	2.1
175.04033	9.3
177.01926	2.2
181.05179	1.1
183.04489	2.3
185.06100	1.4
186.03282	1.4
187.04042	5.3
188.04768	1.7
189.01883	3.0
189.05513	3.3
191.03577	2.8
197.06184	1.3
198.03218	1.5
199.04076	7.3
201.01929	4.1
201.05620	4.6
203.03488	4.0
203.07156	1.6
205.05063	3.2
211.04060	2.3
212.04768	1.2
213.05615	4.5
214.02728	1.5
215.03526	9.3
215.07092	1.9
217.05074	3.4
225.05460	1.3
226.06152	1.0
227.03444	9.9
228.04208	3.6
229.01527	6.8
229.05049	12.5
230.02338	2.5
231.03024	5.5
231.06593	2.0
239.03577	3.2
240.04375	2.0
241.05157	6.1
242.02130	9.3
243.02994	39.0
243.06740	3.2
244.03633	9.6
245.04520	5.1
247.06165	2.8
255.03027	6.9
256.03802	4.0
257.04596	6.8
268.03824	1.7
269.04620	3.7
270.01721	3.7
270.05283	2.0
271.02493	59.1
272.02951	3.7
273.03967	2.1
275.05698	4.5
283.02545	4.8
283.05984	1.8
284.03262	2.0
285.04099	7.0
286.04944	1.5
287.05682	11.5
289.07272	1.5
291.06683	1.5
297.04303	1.4
326.04196	1.4
327.05222	1.7
337.06702	1.1
351.08719	1.3
391.08282	2.9
393.09808	3.1
394.06961	33.1
395.07465	4.9
397.09174	1.9
407.07742	11.4
408.08130	1.4
409.09628	1.4
413.08865	4.6
421.10107	1.1
423.07596	2.2
431.07635	2.0
437.08841	8.1
449.08777	17.1
450.09079	2.3
513.12250	1.2
531.12939	1.6
575.12061	100.0
575.20911	5.8
576.12335	12.0
576.20477	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89804	0.3
59.01390	1.7
60.01035	0.3
62.65107	0.3
63.02396	2.2
64.77785	0.3
65.00314	1.1
65.49913	0.3
69.28266	2.5
78.72536	0.3
83.01387	1.4
85.02959	0.5
89.02495	0.3
93.03472	1.3
95.01384	0.4
98.21767	0.6
107.01405	4.2
109.02941	0.4
132.02197	0.5
135.00879	1.0
143.05022	0.9
145.02899	0.5
145.68517	0.3
151.00386	8.1
153.01917	0.3
159.04538	1.2
163.00397	1.8
164.01196	1.3
165.01823	0.4
167.05089	0.6
169.01495	0.9
169.06577	0.6
171.04544	0.4
183.04518	0.9
184.05122	0.4
185.06097	1.7
187.04001	1.5
189.05589	0.6
195.04474	0.6
196.00162	0.3
197.06068	0.4
199.03996	0.7
201.05598	0.6
211.04036	1.5
213.05501	1.8
224.05713	0.3
227.03532	12.3
228.03934	0.7
229.05089	7.3
239.03505	1.6
240.04463	0.7
241.05083	1.0
255.03018	17.0
256.03644	2.2
257.04587	6.0
257.07059	0.6
258.05069	0.5
267.03146	0.4
284.03299	20.0
285.04074	100.0
286.04410	6.0
395.64005	0.3
575.14069	6.0
576.14740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.4
59.01381	3.6
69.03430	0.5
69.06221	3.7
71.05005	1.1
72.99290	1.2
73.02950	4.0
83.01385	0.5
85.02940	1.2
87.00877	0.7
89.02420	1.0
93.03455	1.3
95.04998	0.8
97.06570	0.7
98.17585	0.6
99.04512	1.0
101.02442	1.1
107.01362	0.9
107.05023	1.5
109.02994	0.9
109.06578	1.5
111.00856	0.5
121.02942	0.8
121.06591	1.4
123.04510	1.2
123.08150	0.4
125.06055	0.7
129.47478	0.4
132.02130	0.6
133.06537	0.8
135.00888	1.0
135.04533	0.5
137.06070	1.3
143.04993	1.1
149.06047	2.0
151.00348	1.2
153.01897	0.7
157.06577	0.5
159.04465	1.4
161.06070	1.1
161.09740	1.3
163.00348	1.7
163.04179	0.5
169.06581	0.8
171.04530	0.8
173.06003	1.3
175.04059	0.9
177.09160	1.0
179.10829	0.6
181.04964	0.5
181.42024	0.4
183.04506	1.0
185.06079	1.9
187.03981	1.8
187.07695	0.7
189.05605	1.2
189.09242	0.9
191.07156	0.5
195.04419	0.7
197.06064	1.4
199.07628	1.1
200.04916	0.5
205.08644	0.7
211.04080	2.2
213.05557	2.2
215.07086	1.5
215.10829	0.6
216.07716	0.6
217.08757	0.5
227.03529	16.4
228.03946	1.0
229.05106	7.5
229.08644	0.6
231.06653	0.9
231.10283	0.7
237.09190	0.5
239.03484	1.3
239.10922	0.7
241.05090	1.3
243.10179	0.8
253.08891	0.5
255.03003	23.2
255.10214	0.7
256.03680	2.9
257.04575	5.4
261.11365	0.8
267.02881	0.8
283.02542	0.7
283.13333	0.7
284.00775	0.5
284.03278	27.9
285.04065	100.0
286.04388	5.9
289.10828	1.6
297.11395	0.7
306.52161	0.5
335.13150	1.3
337.14581	1.1
363.14490	1.5
371.14981	0.6
375.16177	0.6
381.13565	0.9
393.17294	0.6
399.14581	0.7
433.19385	0.5
437.15912	0.6
455.17310	4.0
457.18707	3.4
473.18353	1.6
481.15225	0.6
495.19818	0.6
501.21414	1.0
513.21082	1.0
531.22211	0.7
557.20355	6.2
558.20331	0.9
575.13879	7.4
575.21509	49.0
576.14117	0.7
576.21863	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	11.1
59.01392	31.3
59.63142	5.3
69.20350	32.0
69.20752	9.3
71.01392	23.5
75.15690	5.4
89.02457	30.2
91.69110	5.3
93.45825	5.1
101.02459	10.2
109.02986	12.3
113.02459	8.9
119.03516	13.1
121.03000	9.2
123.04553	18.0
125.02466	100.0
137.02457	8.7
149.02451	9.4
151.04025	14.1
161.02509	24.2
161.04567	4.9
163.00400	14.0
164.01311	9.6
165.01936	10.1
175.03975	13.0
177.01971	12.7
177.05624	5.8
179.05614	14.2
187.04007	8.6
203.07164	6.7
217.04961	8.1
225.06018	5.4
240.76907	5.5
243.03075	12.1
256.30707	4.9
257.04651	5.7
261.04312	5.2
265.05374	6.3
281.04797	6.3
285.04108	42.6
287.05618	14.7
288.57297	5.6
289.07214	49.8
293.08771	5.9
327.05219	8.4
407.07693	10.5
435.18570	6.1
449.08832	29.3
452.07806	8.0
491.19217	8.0
502.14948	5.8
539.09650	7.2
539.21136	12.0
575.11938	27.3
576.12054	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2147
Annotation	Sphenadilactone A
Peak:m/z	Relative Intensity
57.03447	3.7
59.01369	2.3
60.18787	0.7
71.05009	1.1
72.99301	1.2
73.02945	3.8
74.45766	0.8
80.53159	0.7
81.69609	0.8
83.05036	1.2
93.03462	0.8
95.05045	1.5
95.61285	0.8
97.02956	3.7
101.02447	1.1
107.05082	1.5
108.02213	0.8
109.06602	3.2
121.02966	1.9
121.06586	2.7
123.04519	1.4
123.08179	1.4
125.02462	3.2
133.06589	1.8
135.04526	1.4
135.08147	4.1
137.02478	1.0
137.06108	2.8
147.04602	1.1
149.06108	2.2
149.09760	1.8
151.04022	1.1
151.07684	1.0
159.04491	1.5
159.08228	1.3
161.02493	0.9
161.06075	1.7
161.09734	2.8
163.00420	1.2
163.07614	1.3
163.11272	3.3
167.07220	1.2
173.09726	1.0
175.03958	1.1
175.07645	1.5
176.01216	1.6
177.01746	1.4
177.05598	1.5
177.09222	3.2
179.10797	1.0
185.06126	0.9
187.04030	1.1
187.07646	2.5
189.05563	1.7
189.09216	1.9
191.10783	1.4
203.07208	1.1
205.08701	2.2
207.10274	1.2
215.07248	1.6
215.10649	1.2
217.08694	1.1
227.03471	1.8
228.03896	1.2
229.04935	1.5
231.10339	1.0
233.08174	1.1
243.02972	1.8
245.04391	1.1
255.02956	4.1
256.03366	1.2
257.04410	1.5
272.13669	0.8
283.02463	1.7
284.03180	5.0
285.04074	16.2
286.04416	3.8
287.04672	2.8
327.04114	1.3
355.15485	2.6
394.06876	1.2
394.26236	1.1
395.18588	1.3
439.17624	2.4
447.07327	1.1
448.07571	2.6
449.07736	8.4
450.08536	1.4
457.18747	2.9
513.10956	1.0
531.11835	2.5
557.20178	1.5
575.11981	7.9
575.21313	100.0
576.12610	1.7
576.21594	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75159	0.9
54.01189	0.9
57.03439	2.4
58.07089	0.9
59.01376	2.5
69.03439	1.2
69.07198	8.8
71.01385	1.9
71.05020	2.6
72.99316	2.9
73.02955	10.6
76.51873	1.0
84.93468	0.9
85.02940	2.5
87.00892	2.0
87.04506	1.1
89.02435	1.1
95.05044	1.3
97.02955	1.5
99.04518	2.9
101.02403	1.1
104.64632	1.0
107.05029	1.8
109.06614	3.1
111.00893	1.7
111.04539	1.5
121.02956	1.7
121.06608	2.9
123.04526	2.9
123.08199	1.4
125.02425	1.6
128.40276	0.9
131.05022	1.2
132.02205	0.9
133.06592	2.0
135.00851	1.2
135.04483	1.8
135.08205	1.7
137.06110	4.8
145.06604	1.6
149.06116	3.5
151.00397	2.5
151.07651	1.5
157.06604	1.5
159.04544	1.8
159.08170	1.6
160.11737	0.9
161.06053	2.3
161.09669	2.0
169.06580	1.2
173.06134	2.6
175.07652	2.1
177.05589	1.8
177.09143	1.8
179.10858	1.0
185.06046	2.4
187.04054	2.5
187.07629	1.8
189.05539	2.4
189.09206	1.6
197.06213	1.0
199.03934	1.3
199.07658	2.0
203.07077	1.5
211.03909	1.9
213.05649	2.0
213.13007	1.2
215.07172	3.8
215.10852	1.2
216.07986	1.1
227.03517	13.4
229.05045	4.3
229.08687	1.2
231.06612	1.3
237.09155	1.9
241.04962	1.2
243.10442	1.2
255.03012	23.3
255.10194	1.3
256.03647	1.7
257.04684	2.4
283.13333	1.2
284.03265	26.3
285.04059	57.2
286.04410	2.4
289.10904	2.5
297.11404	1.1
335.12756	1.6
363.14462	1.3
381.13403	1.7
383.15274	3.0
393.17120	1.8
399.14828	2.0
411.18399	1.8
429.19330	1.4
455.17026	5.2
457.18738	8.0
473.18192	1.9
495.20212	2.0
513.21106	2.7
531.22345	4.5
557.20355	12.0
558.20605	1.9
575.14185	7.2
575.21442	100.0
576.14111	1.1
576.21881	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64617	0.8
57.03456	3.3
58.84907	0.7
59.01376	2.3
69.03452	0.9
71.05024	1.2
72.99319	3.4
73.02962	7.7
75.00879	6.4
81.03439	0.8
83.05042	1.4
85.02945	0.8
87.00877	0.7
91.69476	0.6
95.05023	1.4
97.02977	1.0
98.21719	1.3
98.22397	2.9
99.04565	1.5
99.12868	0.7
101.02468	0.8
102.06346	0.7
107.05055	1.9
109.02957	0.8
109.06606	3.4
113.11549	0.6
115.35457	0.7
121.06620	2.5
122.03767	1.0
123.04533	1.7
123.08225	1.0
135.04543	1.6
135.08153	1.6
137.06117	3.9
139.07643	0.8
147.08203	1.9
149.06073	3.0
149.09741	0.8
151.07664	1.3
157.06662	1.1
159.08189	1.3
161.06091	0.8
161.09726	2.8
163.11317	1.8
173.06036	1.1
175.07658	0.9
177.05643	0.8
177.09209	1.8
179.10822	2.0
187.07700	1.8
189.09193	2.1
191.07172	1.4
191.10764	0.8
193.08597	0.9
199.07707	1.1
201.09134	0.9
203.07201	1.0
213.09286	1.2
215.07196	4.7
215.10760	1.1
216.07962	1.4
217.08742	2.1
239.10680	0.9
241.05157	1.0
241.08672	0.8
241.12463	0.7
246.77177	0.7
260.41583	0.8
269.28433	0.7
281.15311	1.0
293.10275	1.1
293.15686	0.9
309.14951	0.9
313.80316	0.7
321.14847	0.9
325.14508	1.0
337.14505	2.5
355.15546	2.6
366.53033	0.8
377.17584	0.8
381.17075	0.7
383.14920	3.5
395.18848	2.3
404.78885	0.7
413.19711	1.4
413.32947	0.9
428.98633	0.8
429.19238	1.0
439.17267	0.9
457.18582	16.4
457.24411	1.3
458.19064	1.1
473.18283	1.1
475.01971	0.9
495.19907	0.8
499.19586	1.4
501.21704	1.0
513.21423	1.2
531.22437	1.9
575.21362	100.0
576.21741	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.8
57.33517	1.0
59.01390	1.9
61.98829	2.9
69.03465	1.7
69.20734	8.9
69.21121	2.0
71.01385	2.4
71.05026	2.3
72.99294	6.9
73.02953	12.3
75.00876	15.8
85.02946	1.6
97.02969	3.5
98.22205	4.8
101.02454	1.5
107.15413	1.1
109.06611	5.1
109.80276	1.0
113.02444	1.3
121.06586	1.6
123.04569	1.5
123.08173	2.4
135.04604	1.6
137.06133	1.6
149.04529	1.4
149.06076	3.4
150.04939	1.1
151.07671	2.4
152.34160	1.2
161.06100	1.8
161.09724	1.9
163.11275	3.3
173.06116	1.3
175.07632	2.7
177.09198	1.2
181.37634	1.1
187.07648	1.6
189.09334	1.8
199.32384	1.2
203.07063	1.8
205.08716	1.6
207.10231	1.1
225.09140	1.1
227.10835	1.6
231.06679	1.7
234.27579	1.1
267.13879	1.5
297.15002	1.9
325.14420	2.1
355.15509	2.9
367.18973	1.6
383.14996	3.9
395.18542	2.5
397.22314	1.8
413.19693	1.4
429.19110	2.0
439.17526	2.0
457.18576	21.7
458.19135	2.9
499.19757	3.3
517.20850	1.4
531.22455	4.4
575.21356	100.0
576.21710	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31991	0.8
57.03435	2.7
57.50886	0.7
59.01368	3.5
62.24079	0.7
71.01398	1.3
71.05025	1.5
73.02946	5.7
81.03501	1.0
83.05013	1.5
97.02969	1.9
98.22537	1.8
101.02416	2.4
101.13976	0.8
101.41587	1.0
107.05045	1.2
109.06586	3.7
111.00955	0.8
121.06657	0.9
123.00890	0.7
123.08186	2.0
135.08206	5.6
137.06082	1.8
145.06682	1.0
149.06084	2.0
151.07634	1.1
159.08078	1.2
161.04556	0.9
161.09741	3.3
163.07620	1.2
163.11253	4.0
165.05534	1.0
168.21732	0.8
169.06590	0.7
170.67494	0.8
175.07671	1.4
175.11353	1.0
177.05632	1.8
177.09200	1.9
185.06003	1.9
187.07658	2.3
187.11319	1.0
189.05550	1.3
189.09233	2.1
190.06430	0.9
205.08696	2.3
207.10272	2.0
215.07129	1.0
227.03392	5.3
227.07065	0.8
229.04988	2.7
231.06689	1.1
255.02969	8.1
255.10577	1.1
256.03854	1.1
284.03268	8.5
285.04041	30.0
286.04449	1.7
311.37637	0.9
351.19867	0.9
355.15503	3.8
375.27521	1.0
383.15244	0.9
395.18616	1.9
400.24155	1.2
413.19778	2.0
431.17087	2.1
432.99762	0.8
439.17859	1.4
457.18692	5.2
485.18234	2.7
515.19019	1.0
531.22247	2.0
575.21381	100.0
576.21735	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2137
Annotation	Sphenadilactone A
Peak:m/z	Relative Intensity
50.52642	0.5
54.94886	0.5
55.58304	0.5
57.03449	3.1
57.03687	0.6
57.89754	0.5
59.01384	15.6
69.03268	1.4
69.03672	3.8
71.01360	1.1
71.05020	2.0
72.99303	1.2
73.02953	7.3
75.00869	0.6
81.18286	0.6
83.05045	1.4
85.02942	1.0
87.00906	0.6
91.24680	0.6
95.05033	1.3
97.02961	1.6
98.22350	2.6
99.04524	2.6
101.02442	1.2
104.62406	0.5
107.05027	1.8
109.02957	0.7
109.06609	2.1
111.04509	0.8
121.06613	2.8
123.04533	1.4
123.08180	1.4
125.02428	1.7
125.06065	0.7
133.06578	0.7
135.04489	1.6
135.08174	1.4
137.06079	2.5
139.07677	0.6
147.08232	1.0
149.06061	2.8
157.06619	0.6
159.04538	0.7
159.08209	1.0
161.09755	2.3
163.11398	0.7
167.07127	1.2
171.08142	0.6
173.06113	1.6
175.07614	0.7
177.09232	2.5
179.10797	1.9
185.06171	0.7
187.07664	2.2
189.09155	1.1
195.10358	0.6
199.07579	1.6
200.04749	0.9
201.05530	0.8
201.09335	0.8
208.48598	0.6
211.07695	0.7
213.09099	0.6
214.06271	0.7
215.07199	5.2
215.10809	1.2
216.07860	1.7
217.08667	2.9
229.08562	1.0
231.10287	0.7
239.10870	0.8
241.05055	1.4
241.08699	1.6
241.12514	0.7
243.10281	0.9
257.11826	0.8
267.10248	0.6
271.09781	1.3
283.09973	0.8
283.13272	1.0
289.75604	0.5
295.13507	0.9
307.13809	0.6
309.14935	1.5
311.16547	0.7
325.14392	0.7
337.14584	2.4
355.15610	1.6
365.13800	1.1
377.17590	1.9
383.14999	5.2
395.18539	2.0
413.19833	1.7
421.16693	2.1
439.17618	1.3
455.17593	0.9
457.18710	14.3
458.18994	2.0
473.18356	1.1
483.16766	3.6
485.17728	0.6
502.38391	0.7
513.21478	2.1
531.22357	2.4
533.20654	1.0
575.21375	100.0
576.21655	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47787	0.6
52.40876	0.6
57.03457	3.3
59.01376	2.5
60.94550	0.5
69.03534	5.7
71.01355	0.7
71.05003	2.6
72.99305	0.6
73.02652	0.6
73.02951	7.1
83.05018	1.2
85.02928	0.8
87.04486	1.0
88.74996	0.6
89.02440	0.8
93.03479	0.7
95.05038	0.7
96.95982	1.5
97.02950	1.4
100.70605	0.6
103.99381	0.7
104.07021	0.6
107.05032	1.3
109.02956	2.0
109.06587	3.2
111.04522	0.7
119.04987	1.1
121.02972	1.4
121.06604	3.1
123.04545	1.9
123.08194	1.6
125.02461	2.7
133.06599	1.8
135.04536	1.3
135.08167	3.7
137.02448	2.6
137.06081	1.9
143.05011	0.8
145.06601	2.3
147.04477	0.7
147.08145	1.3
149.06126	3.4
149.09763	1.1
151.00316	0.7
151.03935	0.6
151.07640	1.9
157.06650	0.6
159.08185	1.7
161.02429	0.9
161.06108	2.1
161.09720	3.3
161.53914	0.7
163.07683	1.3
163.11293	2.6
165.05582	1.0
165.86026	0.6
171.08171	1.3
173.06058	2.3
173.09677	0.9
175.04012	1.2
175.07668	1.5
177.05605	0.9
177.09198	4.5
179.07120	1.5
185.06126	1.2
187.04047	0.8
187.07695	5.1
187.11369	0.9
189.05611	1.5
189.09210	3.9
190.06363	0.9
191.07101	1.5
191.10776	1.0
195.06635	0.9
201.05573	1.1
201.09224	1.9
203.07161	3.1
205.08725	2.8
206.09178	0.6
207.06650	0.7
207.10397	1.5
213.05640	1.7
215.07137	5.9
216.07841	1.1
217.08615	1.1
218.80447	0.7
219.10211	0.8
227.03522	1.5
229.05095	1.3
229.08630	1.0
231.06609	2.4
231.10229	0.8
233.08247	3.4
241.05037	0.8
242.02417	0.9
247.09776	3.3
255.03011	1.7
255.10323	0.7
259.06088	0.8
259.09790	1.1
283.94769	0.8
284.03369	3.6
285.04019	4.1
289.07489	0.7
289.10760	1.5
307.11957	1.8
309.14954	1.1
337.14371	1.3
349.18097	0.8
351.10941	1.2
383.15042	1.4
411.17957	0.8
439.17673	2.7
449.08618	0.9
457.18646	6.6
513.20660	0.9
521.02716	0.7
531.22559	1.1
557.20325	0.9
575.21344	100.0
576.21631	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49817	1.5
57.03463	2.2
59.01379	3.8
67.01897	1.7
68.98132	11.0
69.03462	5.1
71.01373	1.7
71.04999	1.4
72.99310	43.0
73.02975	3.5
75.00897	1.7
81.03476	1.6
83.01439	1.6
83.05038	3.3
85.02974	2.0
87.00900	4.3
90.57096	1.5
93.03481	5.0
95.05038	13.6
97.02966	19.6
98.22511	3.6
101.02493	3.0
106.37740	1.5
107.05036	3.0
109.02968	3.0
109.06602	9.1
121.06591	3.1
122.03760	11.1
123.04594	3.6
125.02426	3.6
125.06100	2.9
133.06621	2.2
135.04483	2.5
136.05296	1.6
137.06094	100.0
138.06435	4.4
147.08168	2.0
149.06099	2.7
151.07553	2.0
153.05632	2.3
159.08237	2.5
161.06113	1.6
161.09721	3.8
163.07681	4.9
163.11325	3.7
165.05609	2.5
173.06084	3.6
173.09764	2.8
175.07649	1.8
177.09276	2.0
181.05032	2.0
183.01163	1.5
187.07591	2.2
189.09203	2.8
191.10823	1.6
193.08688	1.7
199.07639	1.5
201.05525	1.7
201.09239	1.8
203.07268	2.1
203.10837	1.9
205.08707	4.1
211.07657	2.3
211.11247	2.2
213.09235	1.8
215.07100	2.4
216.08058	1.4
217.08762	1.6
221.08243	2.8
229.08667	2.2
229.12430	3.2
233.08282	1.7
245.11856	2.0
257.11829	2.1
297.11395	2.0
313.14398	2.6
319.11868	2.0
323.20264	3.0
327.12503	2.7
337.14590	1.9
345.13574	4.4
349.17981	1.9
367.19348	2.1
373.13046	2.4
375.14624	2.5
383.19214	2.1
391.19171	2.2
393.17050	7.4
411.18213	17.1
421.20496	2.1
435.18326	2.8
437.14621	4.0
437.20053	2.9
447.18146	2.3
455.17117	2.8
465.19287	27.7
466.19412	2.1
467.21198	2.5
477.19308	2.1
483.20767	7.6
495.20053	3.2
513.21356	3.8
521.18195	3.7
531.22430	1.7
539.19037	10.0
557.20190	6.3
575.21301	37.4
576.21545	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67241	0.5
57.03458	2.9
59.01378	3.9
67.01905	0.5
68.99944	3.8
69.00374	2.3
69.03454	1.1
71.01383	1.6
71.05022	1.6
72.99319	4.0
73.02956	7.1
74.86404	0.5
81.03509	0.6
81.36748	0.6
82.50673	0.6
85.02951	2.3
87.00871	1.6
89.02427	0.7
93.03471	1.0
95.01376	0.7
95.05046	1.4
97.02979	1.2
97.06570	0.7
98.22512	1.5
99.04549	1.9
100.00404	1.3
101.02458	1.7
101.40137	0.5
107.05035	2.3
109.02957	1.2
109.06619	3.4
111.00910	2.1
111.04531	1.0
113.02466	0.7
116.05070	0.7
121.02990	2.5
121.06588	3.6
122.03780	1.3
123.04517	2.8
124.01667	0.6
125.02496	1.0
125.06105	1.6
131.03471	0.8
133.06627	1.8
134.03745	1.1
135.04526	2.3
137.02469	1.1
137.06088	4.9
139.07637	1.0
145.06628	2.0
147.04549	0.9
147.08153	1.0
148.05322	7.5
149.02451	2.3
149.04970	0.7
149.06087	4.5
150.03259	2.8
151.04019	0.9
151.07631	1.1
153.01971	1.3
159.04573	1.0
159.08154	1.3
160.01674	0.6
161.04735	0.9
161.06113	2.0
161.09749	2.5
163.07674	11.3
165.05608	3.0
171.08171	1.1
173.06125	1.5
175.04050	2.9
175.07631	0.8
176.04826	1.4
177.05627	2.3
177.09193	2.3
179.10818	1.4
181.05035	0.7
185.06059	0.9
187.07677	0.9
189.05632	1.8
189.09198	0.8
190.95627	0.6
191.07104	0.9
192.36842	0.6
198.06831	0.6
199.07564	1.4
201.05643	1.1
201.09309	1.3
201.84248	0.6
203.07216	0.9
205.08701	1.0
211.07750	1.0
212.08597	0.9
213.05573	0.7
213.09261	1.4
214.06332	0.8
215.07159	1.7
215.10728	1.0
216.07991	0.6
217.08765	0.8
225.09198	0.9
227.07042	0.7
227.10744	1.8
229.06216	2.6
229.08479	1.0
229.12450	0.7
231.06654	1.6
231.10329	1.1
233.08289	0.8
239.07129	0.6
239.11035	0.6
241.08649	0.9
243.10268	0.8
245.08133	0.9
255.10399	1.3
259.09872	0.9
261.11206	1.1
265.41498	0.6
269.11755	0.7
271.09705	0.9
279.13947	0.6
289.07297	1.2
289.10834	2.8
297.11578	1.1
297.14957	0.7
299.13177	1.0
309.11530	0.8
315.12497	0.7
335.13589	1.7
353.14032	1.4
363.14728	1.8
367.19363	1.1
375.16074	0.7
379.12961	1.7
381.13297	1.1
383.17197	1.7
393.17267	0.8
397.22043	1.3
399.14407	2.8
403.60690	0.8
411.18341	2.0
421.16379	0.9
425.23438	2.2
437.16144	1.4
439.17685	0.9
455.17215	3.0
465.19101	0.9
473.18387	3.9
483.19894	1.5
487.23483	1.2
495.20398	2.1
501.21710	1.4
513.21143	3.6
527.18823	1.2
531.22571	4.0
557.20288	1.0
566.77313	0.7
575.21368	100.0
576.21716	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2138
Annotation	Micrandilactone A
Peak:m/z	Relative Intensity
57.03464	2.8
59.01091	5.1
59.01384	88.0
61.98833	34.9
62.25674	2.2
67.01894	4.2
69.03455	14.1
71.01373	5.9
72.99312	100.0
73.02940	4.0
75.00870	3.4
83.05070	3.6
85.02964	7.3
87.00890	31.4
93.07121	9.4
95.05042	6.7
97.02966	32.0
97.66656	2.6
98.21853	10.2
98.22546	7.0
99.04521	4.8
100.45139	2.3
101.02496	3.4
107.05026	6.8
109.02978	5.3
109.06603	5.6
111.04496	4.0
121.06613	6.1
122.03786	6.2
123.04516	6.0
123.08198	3.7
133.06598	3.4
135.04602	4.6
137.06091	59.4
138.06432	2.9
147.08160	4.2
147.11777	8.0
149.06102	5.8
151.07643	5.2
161.06084	6.6
163.07640	8.4
173.06068	4.2
179.07156	3.2
187.07741	2.8
189.09206	4.6
191.05573	3.8
191.10791	4.7
205.12125	2.4
242.25014	2.5
269.11609	2.9
289.27811	2.6
317.19019	4.2
335.20172	9.2
353.21326	4.2
361.17929	4.5
363.19531	3.0
375.14810	4.1
379.19159	14.9
397.20139	7.1
403.18985	2.9
407.18521	6.5
415.17581	3.8
419.13376	4.0
421.20309	3.9
449.19498	2.7
451.17584	4.5
457.18707	5.3
466.44861	2.6
469.18646	36.0
470.19193	4.6
495.20505	22.7
513.21088	4.7
515.22894	16.5
515.29681	3.8
557.20319	78.8
558.20740	10.8
575.21069	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2139
Annotation	Sphenadilactone A
Peak:m/z	Relative Intensity
57.03432	1.7
59.01370	1.5
59.64653	0.6
65.24732	0.7
69.03452	0.8
69.14939	4.7
71.01371	0.9
72.99290	1.0
73.02956	3.6
74.47959	0.7
78.69778	0.7
85.02958	1.1
87.00876	0.8
87.04515	3.7
93.03444	1.1
95.05016	1.0
97.02969	1.6
99.04511	1.9
106.04235	2.7
107.05037	1.5
109.02975	0.8
109.06600	13.2
111.00863	1.2
111.08159	0.7
113.02492	0.7
121.02963	4.3
121.06615	3.4
123.04517	2.4
123.08166	2.0
125.00184	0.6
125.06135	0.8
125.09739	1.2
128.56984	0.8
135.00879	1.1
137.06116	3.4
138.67017	0.7
139.07646	2.5
145.06540	1.1
147.08134	1.3
149.06056	1.1
149.09729	1.0
151.03922	0.8
151.07646	2.4
153.01956	2.8
159.04451	0.9
159.08153	1.0
161.06049	0.8
161.09732	2.2
163.07669	2.9
163.11292	1.2
167.07140	2.0
173.06113	1.1
174.03195	1.0
175.11313	6.5
176.04869	1.1
177.05627	0.8
177.09171	4.8
179.07147	1.9
179.10799	2.8
181.08745	1.1
185.06084	1.2
185.09698	0.7
189.09171	1.4
197.06329	0.8
199.07695	0.7
201.09204	1.2
201.12923	0.8
203.10759	1.7
205.08673	0.9
213.09207	1.7
215.07120	0.9
215.10832	2.1
219.10280	2.2
223.09677	0.8
227.10741	1.3
229.05086	0.8
229.12343	0.9
233.11864	0.9
243.10243	1.9
245.11844	3.3
255.03038	1.1
257.15494	1.8
267.10458	0.9
267.13705	1.2
273.11255	1.4
285.04047	2.7
287.09396	4.7
288.09869	1.0
289.10910	2.4
291.12476	2.0
297.14935	0.8
311.13095	0.9
312.09174	0.7
313.14584	0.9
313.18027	0.8
335.12952	0.9
335.16681	1.0
337.18079	1.3
349.18008	1.5
363.14465	2.0
367.19000	1.2
375.16132	1.1
379.15588	0.8
393.17188	1.4
399.14282	1.5
411.18066	1.1
415.19107	0.8
421.16309	0.8
429.10385	0.7
437.15991	1.0
439.17853	1.8
451.21506	2.6
455.17386	2.6
457.18472	1.5
469.11288	0.8
469.22720	1.4
473.18240	1.2
487.23444	1.2
495.20410	1.8
501.21832	1.0
513.21497	4.6
531.22418	3.6
547.04736	0.6
557.20416	3.3
575.21350	100.0
576.21539	12.9
599.24890	0.6
599.38788	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2142
Annotation	Sphenadilactone A
Peak:m/z	Relative Intensity
55.01887	1.7
57.02213	1.9
57.03445	9.0
59.01385	37.8
59.08902	1.6
59.15469	1.5
59.55888	1.5
61.98835	84.6
63.99255	3.7
69.03452	2.1
69.61730	8.1
71.01387	18.1
71.05009	2.9
72.99313	10.0
73.02950	19.1
75.00880	14.1
78.95917	7.0
79.05560	1.7
83.01378	1.5
85.02959	10.1
87.00887	3.9
87.04515	2.0
89.02440	9.5
93.03486	2.2
95.05063	2.8
96.96982	7.5
97.02983	3.2
97.06630	2.6
98.21803	1.8
98.22356	3.5
99.00892	2.1
99.04538	6.8
101.02444	12.9
109.06622	5.4
111.04533	2.3
113.02477	7.7
121.06632	4.4
123.04546	3.7
123.08142	2.5
125.02472	1.8
125.06025	1.5
125.69672	1.7
131.03548	10.0
135.08189	2.5
137.06116	5.7
139.07654	2.0
145.06602	1.9
147.08107	1.7
149.04730	1.6
149.06099	4.4
159.03047	2.7
159.04404	2.0
159.08241	1.8
161.04567	7.1
161.06055	2.5
161.09744	6.2
167.07123	2.2
169.42972	1.6
173.06070	3.2
175.07684	4.3
177.05539	2.2
177.09251	4.3
179.10785	3.9
181.37199	1.8
187.07579	4.0
189.05664	1.6
189.09195	1.8
191.05630	2.2
199.11412	1.7
201.09224	1.6
203.07178	4.7
205.08725	3.3
215.07100	4.1
215.10699	3.1
227.10756	2.5
231.06624	8.2
235.16930	4.0
245.11951	2.3
255.10332	2.5
259.09595	2.1
269.11865	1.5
271.09866	2.0
271.16812	1.7
283.13736	2.1
325.14563	3.2
335.16180	2.1
341.13702	2.4
353.13943	3.4
371.14874	4.4
371.28131	8.2
379.15192	2.4
381.17459	2.7
382.23138	2.2
383.24319	14.9
393.17111	3.8
399.14221	9.3
411.17920	10.0
425.15927	2.4
429.19022	2.7
437.16104	3.0
439.18280	2.2
451.21658	2.0
455.17249	4.8
473.18213	100.0
474.18427	8.5
487.22919	2.3
495.20352	2.0
499.19827	26.8
500.20361	2.2
501.21295	4.9
503.22653	1.8
513.21167	7.3
515.28778	24.8
516.29218	2.3
517.21051	2.4
518.28717	1.8
531.22321	36.4
532.22650	4.4
533.33215	7.3
575.21295	50.8
576.21515	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64981	0.4
57.03470	0.4
59.01383	100.0
59.80408	0.4
60.01725	0.6
60.04436	0.4
60.25868	0.4
61.98850	2.8
69.03458	0.8
69.04560	2.8
69.04977	1.0
71.01389	0.8
71.05056	0.5
72.99298	0.6
73.02961	1.0
75.00884	0.8
85.02957	2.1
87.00886	1.0
97.02959	4.5
98.22158	2.1
101.02464	0.5
102.77780	0.4
107.05017	0.5
109.03013	0.7
109.06627	1.1
111.04521	0.5
113.02447	0.5
125.06103	0.7
137.06126	1.4
137.32178	0.4
149.74989	0.4
158.04300	0.4
161.09746	0.8
163.11302	2.2
175.07738	0.6
199.41243	0.4
205.12373	0.4
213.05682	0.5
213.09470	0.6
213.68193	0.4
215.07019	0.6
229.12381	0.6
315.16040	0.6
325.14459	0.6
335.20367	0.5
337.14642	0.7
355.15607	0.5
377.17908	0.7
379.19339	0.7
383.15225	0.8
395.19043	0.6
399.24384	0.5
439.17670	2.1
446.75113	0.4
457.18695	7.3
458.19284	1.2
469.19086	1.2
471.24075	0.7
473.18591	1.2
515.22894	20.6
516.23395	2.6
557.20093	0.6
575.21643	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
57.03447	2.1
59.01382	53.0
61.98835	100.0
71.01386	34.7
72.99318	2.7
73.02947	11.2
75.00852	1.5
83.01386	4.5
85.02951	16.3
85.85388	1.1
87.00888	2.5
89.02443	9.4
95.01397	1.9
97.02969	2.3
99.00880	5.6
99.04518	1.4
100.21702	1.1
101.02444	25.8
113.02465	16.0
119.03494	1.4
125.02432	2.5
131.03516	32.2
131.04492	2.5
143.03500	2.7
149.04611	1.4
159.03029	2.9
161.04570	24.2
383.24393	75.1
384.24796	5.0
393.52988	1.4
427.23465	2.3
477.63287	1.2
515.28571	20.4
516.28546	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93800	9.9
60.18785	8.9
68.98642	100.0
108.44614	8.8
112.23853	9.0
129.05643	12.6
264.09067	9.8
289.31650	9.8
335.30356	10.3
497.21570	10.5
533.23810	36.5
534.43207	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15989	0.5
57.03449	0.7
57.97566	0.5
59.01379	5.1
61.98832	100.0
69.04916	4.9
71.01414	1.2
72.99303	0.6
78.70697	0.5
80.91691	2.1
82.95425	6.6
89.02428	0.6
89.27608	0.5
97.02972	0.7
113.40311	0.5
152.08723	0.5
191.05664	1.4
292.20148	1.0
293.20630	0.6
387.22217	0.6
446.79773	0.6
517.25031	0.7
517.34143	1.9
533.33533	1.4
559.26117	0.6
576.22687	0.7
577.33575	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70712	0.3
59.01370	1.4
61.98834	100.0
69.05699	1.6
69.06127	1.1
71.01392	1.2
75.00886	0.3
75.71883	0.2
78.10156	0.3
79.63544	0.3
79.64095	0.3
79.95728	0.4
80.79519	0.2
80.96528	0.7
85.02978	0.5
87.00906	0.5
88.36035	0.3
89.02496	0.6
91.13543	0.3
97.60604	0.3
101.02490	0.7
113.02431	0.4
119.03519	0.2
120.53928	0.3
122.60712	0.3
125.02455	0.7
131.03557	0.3
149.04585	0.5
154.94180	0.3
161.04726	0.4
191.05624	0.4
196.81068	0.3
214.06470	0.3
221.19386	0.4
229.08936	0.4
341.23471	0.4
399.23941	0.5
401.25528	0.3
428.52789	0.3
531.28979	0.4
533.33563	0.8
541.24713	0.4
576.23383	0.6
577.22931	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.3
59.01381	1.2
61.98835	100.0
63.34363	0.3
71.01360	0.5
77.41714	0.3
78.95922	0.5
86.13776	0.3
87.42030	0.2
89.02493	0.4
91.02900	0.2
98.22609	0.5
101.02447	0.4
109.07291	0.2
159.99500	0.3
191.05730	0.6
210.12125	0.3
359.46487	0.3
431.02283	0.3
519.29565	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67120	11.6
59.01387	81.9
60.73731	11.8
61.98837	100.0
62.62934	13.8
65.25452	12.7
69.23476	22.4
69.23880	88.4
71.01372	27.4
72.99304	45.6
73.02945	31.6
85.02961	15.3
89.02462	27.3
98.22004	44.4
116.28200	18.3
125.02512	15.4
152.99631	25.8
191.05595	26.5
207.41978	15.6
399.23889	24.3
433.21970	18.7
444.57190	12.7
466.50067	13.8
516.30566	21.1
533.27240	23.5
576.21814	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73299	1.0
52.95916	1.1
54.60683	1.2
61.98833	100.0
62.81424	1.0
63.88974	1.0
69.52291	5.3
71.67492	1.1
98.21840	1.5
128.06107	1.2
142.37169	1.3
451.19611	1.2
557.34692	1.2
576.83289	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87632	0.5
53.96638	0.5
61.98835	100.0
62.94482	0.7
63.18029	0.5
64.75840	0.5
67.61808	0.6
70.66024	1.3
78.91927	0.8
78.95893	0.7
80.91692	2.1
111.60943	0.6
125.02501	0.7
164.05304	0.7
199.93127	0.6
270.94174	0.6
277.21826	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11045	1.5
55.77976	1.4
59.01145	1.5
59.01389	25.3
61.98835	100.0
62.30982	1.6
69.82434	6.3
71.01382	5.1
78.70675	1.4
78.95911	26.5
78.98577	5.2
79.95723	10.2
80.96042	3.0
80.96524	55.5
85.02945	2.7
87.00876	2.2
94.98087	14.6
98.22614	1.7
101.02418	1.8
106.98042	1.5
115.80355	1.9
122.97576	4.6
125.02441	2.3
134.97610	3.7
145.46021	1.5
145.81711	1.5
148.99149	6.4
152.98621	4.1
152.99664	2.0
164.98674	7.9
168.04350	3.1
182.99759	1.9
217.44556	1.5
224.06874	11.4
225.00754	13.0
242.08109	1.9
277.21732	98.0
278.22034	3.8
299.04456	3.9
300.15826	1.7
361.66904	1.9
502.29453	59.6
503.29599	5.6
575.61206	2.0
577.26941	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67120	11.6
59.01387	81.9
60.73731	11.8
61.98837	100.0
62.62934	13.8
65.25452	12.7
69.23476	22.4
69.23880	88.4
71.01372	27.4
72.99304	45.6
73.02945	31.6
85.02961	15.3
89.02462	27.3
98.22004	44.4
116.28200	18.3
125.02512	15.4
152.99631	25.8
191.05595	26.5
207.41978	15.6
399.23889	24.3
433.21970	18.7
444.57190	12.7
466.50067	13.8
516.30566	21.1
533.27240	23.5
576.21814	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87643	0.3
59.01126	0.3
59.01379	1.6
61.98833	100.0
71.01395	0.7
71.32011	0.7
73.86666	0.3
77.94247	0.4
79.95751	0.4
99.04566	0.5
109.03049	0.3
125.02467	0.7
137.02440	0.4
139.07724	0.3
143.81039	0.3
159.63808	0.3
194.43237	0.4
205.10265	0.4
219.41463	0.3
222.20384	0.4
384.25195	0.5
395.04407	0.4
513.28851	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81023	0.9
59.01387	1.0
61.98833	100.0
69.02887	9.2
107.06288	0.8
109.29916	0.9
111.24519	0.9
125.02463	2.1
140.10117	1.0
166.17101	0.8
289.06921	1.5
306.73511	1.0
348.69827	1.0
533.82013	1.2
588.64868	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06306	0.4
59.01379	1.5
61.98833	100.0
69.23029	1.9
69.23444	0.7
71.01382	0.6
87.00905	0.5
89.02444	0.5
119.37467	0.4
125.02519	0.5
128.12357	0.5
139.07642	0.4
152.99634	0.4
191.05717	1.0
237.08900	0.4
243.21736	0.4
261.01785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25428	0.6
56.79088	0.6
59.15415	0.5
61.98838	100.0
70.88652	1.4
77.95097	0.6
78.95931	1.4
96.97009	0.6
98.21819	0.6
169.30795	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45020	0.3
61.98835	100.0
63.99263	0.7
69.01993	1.6
69.02425	2.0
71.53392	0.3
74.35309	0.3
80.96531	1.9
119.64159	0.4
172.87758	0.3
339.49911	0.4
391.10629	0.3
536.75171	0.4
577.27002	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.9
59.01378	34.5
61.98832	100.0
69.45084	13.0
71.01039	2.2
71.01391	28.9
72.99332	4.2
73.02946	9.4
75.00857	2.9
75.20953	2.7
80.04850	2.3
83.01408	3.9
85.02959	15.3
87.00887	5.1
89.02462	16.9
97.02945	3.0
99.00883	6.4
99.04482	2.0
101.02470	22.1
109.02982	3.0
113.02447	16.5
119.03498	3.6
121.02955	4.0
121.06422	2.1
123.04551	2.5
125.02433	9.6
131.03516	25.0
143.03461	2.8
147.04359	2.1
149.04631	4.0
157.57747	2.0
161.02481	3.5
161.04591	22.5
169.12267	2.6
179.05566	2.6
191.05624	2.9
211.29948	2.2
269.04446	3.1
286.04401	2.9
340.09686	4.4
353.23004	2.2
354.23755	4.0
355.11865	15.5
399.23901	5.5
401.20166	3.1
401.25455	63.9
402.26102	3.7
407.07840	3.5
445.24362	6.1
493.61404	2.3
516.26837	2.8
531.27411	4.8
533.29517	40.0
534.30170	7.7
541.24664	3.2
577.32434	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.9
59.01378	34.5
61.98832	100.0
69.45084	13.0
71.01039	2.2
71.01391	28.9
72.99332	4.2
73.02946	9.4
75.00857	2.9
75.20953	2.7
80.04850	2.3
83.01408	3.9
85.02959	15.3
87.00887	5.1
89.02462	16.9
97.02945	3.0
99.00883	6.4
99.04482	2.0
101.02470	22.1
109.02982	3.0
113.02447	16.5
119.03498	3.6
121.02955	4.0
121.06422	2.1
123.04551	2.5
125.02433	9.6
131.03516	25.0
143.03461	2.8
147.04359	2.1
149.04631	4.0
157.57747	2.0
161.02481	3.5
161.04591	22.5
169.12267	2.6
179.05566	2.6
191.05624	2.9
211.29948	2.2
269.04446	3.1
286.04401	2.9
340.09686	4.4
353.23004	2.2
354.23755	4.0
355.11865	15.5
399.23901	5.5
401.20166	3.1
401.25455	63.9
402.26102	3.7
407.07840	3.5
445.24362	6.1
493.61404	2.3
516.26837	2.8
531.27411	4.8
533.29517	40.0
534.30170	7.7
541.24664	3.2
577.32434	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98873	2.2
73.16829	2.2
80.92029	1.8
85.00469	2.7
112.15516	1.7
115.82845	2.2
116.92851	2.3
332.92841	1.9
451.32291	5.6
491.31509	7.9
516.31323	2.5
576.33118	100.0
577.33209	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97079	1.5
59.01382	28.4
61.98830	6.9
70.59597	3.0
70.59964	2.3
73.26427	1.3
78.95909	30.5
86.90372	1.5
99.39931	1.5
100.82313	1.6
118.36422	1.7
152.99629	4.4
168.04344	3.2
224.06799	10.1
242.07988	3.8
264.01761	1.5
277.21729	100.0
278.21997	7.0
345.74786	1.5
353.36780	2.0
498.71216	1.6
502.29425	71.4
503.29846	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33858	0.7
58.34891	0.7
58.65287	0.9
59.01380	15.7
59.11545	0.7
61.98837	5.7
69.03570	6.3
78.95903	6.5
99.90184	0.8
105.21736	1.1
121.54317	0.9
137.46184	0.9
146.37059	0.9
152.99626	1.2
160.84195	1.9
168.04308	0.9
198.27702	0.8
224.06970	1.2
242.07970	3.4
277.21744	100.0
278.22147	5.8
311.30014	0.8
376.16486	1.0
430.78635	0.8
502.29465	25.8
503.29587	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.7
59.01367	6.0
61.98836	6.8
63.02409	9.7
63.17985	1.2
65.00311	5.6
69.03468	3.4
69.25512	6.1
69.25920	4.0
71.01379	3.8
71.05000	2.1
72.99316	16.3
73.02946	5.8
81.03474	1.3
83.01406	7.6
83.05035	3.2
85.02969	4.6
87.04520	4.6
89.02438	2.0
93.03485	2.5
95.05042	4.1
97.02967	5.1
98.37602	1.3
99.04517	1.9
101.02453	2.8
105.07133	1.8
107.01396	11.3
107.05040	8.2
109.02938	3.3
109.06609	25.0
111.04548	2.0
111.72359	1.3
113.02460	5.0
119.05050	1.8
120.04687	1.4
121.02981	4.2
121.06612	4.1
123.04549	3.3
123.08160	2.0
125.02469	17.1
125.06068	2.4
131.03491	1.6
131.05066	2.1
133.02975	1.7
135.04559	3.3
135.08151	1.7
136.05345	2.0
137.02435	7.2
137.06079	8.9
139.07661	3.4
147.04633	1.6
147.08170	2.9
149.06085	4.6
149.09702	1.4
151.00383	36.4
151.03949	1.8
151.07629	3.9
153.01939	1.4
159.08125	2.6
161.06065	3.7
161.09708	3.3
163.07626	3.3
163.11270	8.1
165.05499	2.7
165.09244	1.9
167.03494	2.9
167.07106	1.9
169.01433	6.3
173.06068	3.7
173.09656	2.2
175.04039	2.5
175.07698	2.1
177.05533	2.6
177.09230	5.8
178.99879	100.0
179.07193	3.6
179.10802	5.9
180.00224	3.2
181.01462	1.8
181.77461	1.4
185.06091	2.4
187.04105	1.7
187.07710	2.5
189.05679	1.8
189.09215	4.1
191.07178	1.6
191.10829	4.0
193.08710	1.6
197.06110	1.6
199.11192	2.0
201.05544	8.6
201.09270	1.4
203.10698	3.2
207.10249	5.7
213.05644	4.3
214.06416	2.2
215.03537	2.5
215.07333	1.7
215.10905	1.9
217.08682	1.6
217.12360	3.9
223.09785	3.3
227.03545	1.7
229.05116	7.6
229.08659	2.3
231.06644	3.1
231.10188	2.1
233.11711	1.7
241.05072	9.6
241.08714	2.1
241.31303	1.6
243.03131	1.5
245.12010	2.0
255.03064	2.9
256.03693	2.8
257.04602	3.2
257.11877	1.9
259.06146	3.9
259.09689	2.0
269.04425	2.7
273.11328	2.7
284.03259	2.3
285.04013	7.5
286.04285	6.0
287.04831	4.3
289.07416	3.3
295.02515	4.7
303.16168	2.4
307.13504	1.8
313.03497	1.6
325.14465	2.8
355.15634	1.8
377.17542	2.9
395.18518	7.2
397.09225	4.0
407.07687	2.0
413.19861	5.0
423.21667	3.0
435.22369	2.4
436.24405	2.5
439.17563	2.5
441.23212	1.7
451.06754	4.1
453.22986	4.1
467.20892	3.5
471.24298	1.8
485.21896	10.6
497.21979	7.3
503.22836	6.0
504.22858	1.9
515.22833	13.7
515.86432	1.6
523.20013	1.7
524.94556	1.7
531.28076	2.7
533.24030	38.7
534.24194	3.3
541.20789	3.8
559.21808	9.4
576.20795	1.7
577.22913	97.5
578.22931	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.5
59.01376	2.9
61.98829	3.5
63.02391	1.4
65.00325	2.8
66.22120	0.5
69.03459	0.8
71.01364	2.0
71.30365	0.8
83.01393	1.1
85.02975	0.5
89.02448	2.1
89.60211	0.5
93.03499	0.7
97.02966	2.5
101.02431	0.6
107.01402	4.3
108.02222	0.9
109.02980	3.0
109.06618	0.9
113.51559	0.5
115.00351	0.8
119.03523	0.4
121.02953	3.7
122.67728	0.5
122.90835	0.5
123.04562	1.0
125.02444	4.8
135.00888	1.0
137.02438	1.4
137.06113	0.6
146.24582	0.5
148.01637	1.1
149.02385	1.1
151.00377	16.6
151.01588	0.9
151.04001	0.7
159.04497	0.7
161.02422	1.0
163.00363	3.4
163.04033	0.5
164.01155	0.9
167.03514	0.8
169.01372	0.6
175.04016	0.5
176.04420	0.5
177.02019	0.5
178.99872	7.1
183.04524	0.5
187.03976	0.5
199.03949	0.7
201.05591	1.0
203.03520	0.6
211.04074	1.6
215.03484	0.8
227.03404	2.5
228.03992	0.6
229.05048	1.4
243.03014	6.5
245.04562	2.7
254.02252	1.1
255.03000	15.3
256.03467	0.9
259.06165	0.7
271.02499	29.0
272.02930	1.9
273.04117	1.5
283.02457	1.8
287.05704	0.9
289.07227	1.7
299.02017	1.3
300.02777	31.8
301.03546	100.0
302.03918	4.9
407.07825	0.7
435.20184	0.9
577.12073	8.9
577.22668	6.2
578.12177	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.4
59.01380	5.3
61.98827	0.7
63.02381	2.1
65.00330	5.6
69.03439	2.1
70.33657	1.8
71.01382	5.1
72.99306	1.5
73.02950	2.9
81.03456	1.2
83.01389	4.0
85.02948	3.5
87.00871	4.7
89.02449	3.2
93.03453	2.1
97.02965	4.9
99.00914	0.9
101.02443	2.9
107.01405	8.7
108.02197	1.4
109.02976	5.1
109.06611	2.1
113.02454	1.6
114.67237	0.7
116.92861	0.9
117.03459	3.5
119.01360	1.0
119.03499	1.0
121.02962	4.4
123.00922	0.8
123.04527	2.3
123.08190	0.9
124.01682	1.4
125.02461	15.6
131.03488	1.1
133.02962	0.8
135.04533	1.6
137.02487	4.3
137.06084	1.1
139.07538	1.0
141.49489	0.7
143.03539	4.1
147.02919	1.0
148.01624	1.5
149.02435	2.5
151.00378	28.9
151.03990	2.0
152.01169	5.5
157.06581	1.0
157.55840	0.7
159.04555	1.9
161.02438	2.0
161.06061	1.0
163.00369	4.5
163.04047	0.8
164.01160	1.7
165.01947	3.0
169.06662	0.7
173.06067	2.1
174.01678	0.9
175.03981	2.0
177.01894	1.5
178.99861	12.2
179.05595	0.9
183.04506	1.7
187.04030	1.3
197.06064	1.4
199.03995	1.9
201.05621	2.0
203.03560	1.2
203.07072	1.3
211.04015	1.9
215.07126	0.8
217.08472	0.8
225.05579	3.2
227.03551	3.4
229.05043	1.0
243.03046	5.2
243.06523	1.0
245.04610	2.6
254.02092	0.9
255.02982	14.9
256.03470	1.5
257.04401	1.0
259.06134	9.6
269.04565	87.2
270.04916	4.7
271.02505	30.5
272.02927	2.7
273.04083	2.2
283.02420	2.4
287.05692	9.7
289.07184	5.2
299.02209	0.9
299.99307	1.5
300.02762	35.1
301.03540	100.0
302.03836	6.3
355.11841	1.1
373.12921	2.1
395.18631	0.8
407.07727	1.7
435.20435	1.1
533.24176	1.3
559.21924	1.0
577.12811	10.1
577.22986	16.7
578.13898	0.8
578.23364	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	13.6
58.13881	1.1
60.36144	1.0
69.22867	9.3
76.13394	1.2
80.66130	1.0
81.03471	2.3
83.01382	4.7
87.69683	1.1
93.03451	1.4
95.05030	2.4
97.02968	4.7
98.22527	2.0
107.05017	1.9
109.02966	20.4
117.03384	1.2
121.02934	3.6
122.03745	1.5
123.04530	14.7
125.02463	100.0
126.02784	4.2
129.51367	1.1
133.02974	4.5
135.04555	2.5
137.02469	20.9
139.03995	2.7
146.03830	1.4
149.02435	6.5
151.04025	14.1
159.04532	2.6
161.02454	25.9
161.06099	5.2
162.03069	2.2
163.00333	1.7
163.03967	3.2
164.01138	4.8
165.01962	4.2
167.03601	1.5
175.04027	9.3
177.01941	5.8
177.05487	2.2
179.03552	4.2
187.04005	8.8
188.04825	2.9
201.05675	2.7
203.07158	9.4
205.01418	3.3
205.05008	6.8
213.05510	1.6
215.03528	2.2
217.04974	2.8
221.08133	2.9
227.03517	2.0
227.07176	2.5
229.04962	2.8
243.02983	3.7
245.04619	5.9
245.08218	13.9
255.02963	7.3
256.03705	5.1
257.04471	2.1
269.04553	2.8
273.04013	5.5
281.04483	3.3
285.04089	1.8
287.05667	9.0
289.07205	66.2
290.07611	4.8
299.05664	4.3
329.06439	1.4
339.08771	3.8
361.39163	1.7
381.09766	2.9
407.07724	58.1
408.08026	6.0
425.08893	14.0
451.10410	10.4
462.61465	1.1
577.13562	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46544	2.8
57.03456	16.9
57.03699	2.6
70.91461	3.2
73.36523	2.8
76.98350	2.4
83.01388	8.8
84.79324	2.5
88.38830	3.1
97.02959	6.9
107.05027	3.2
109.02962	22.4
121.02915	5.3
123.04532	16.4
125.02457	100.0
126.02785	4.7
133.02982	4.1
135.04503	4.2
137.02466	24.7
149.02441	8.3
151.04045	24.4
152.34383	3.4
159.04532	3.7
161.02458	26.1
161.06078	5.1
163.04015	8.6
164.01241	4.1
165.01904	9.1
167.03586	3.9
173.06053	3.5
175.04013	11.4
179.03476	5.9
187.04100	6.1
189.05589	6.8
191.03514	4.8
201.05600	5.1
203.03401	4.2
203.07133	6.8
205.05037	6.7
217.05136	3.5
243.06535	5.0
245.04443	6.4
245.08212	14.5
247.06177	5.1
255.03059	3.1
257.04526	4.1
259.06024	5.4
269.04541	6.8
287.05627	32.8
289.07190	62.5
290.07501	4.2
299.05603	3.2
358.79611	3.1
407.07706	36.3
425.08875	13.9
439.10275	12.5
451.10471	8.2
452.11606	2.6
559.12347	4.9
577.13397	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39256	0.9
57.03452	14.1
58.12416	0.9
69.17392	2.0
69.17796	6.9
81.03443	1.7
83.01398	3.6
86.62515	1.1
93.03459	1.5
95.05051	2.2
97.02913	2.4
107.05013	1.0
109.02959	18.4
117.03471	1.3
121.02961	2.3
122.03824	1.2
123.04527	12.8
125.02457	100.0
126.02773	2.4
133.02982	4.8
135.04530	2.4
137.02457	22.8
139.04013	3.0
145.02924	1.3
149.02431	4.2
151.04013	11.2
159.04529	3.0
160.78778	1.0
161.02444	24.6
161.06097	4.1
162.03178	2.9
163.00354	1.8
163.03993	2.6
164.01160	4.1
165.01939	4.6
167.03493	1.3
173.06094	1.2
175.03996	6.8
177.01979	5.2
179.03517	3.7
187.04025	5.2
188.04823	2.3
189.05383	1.3
203.03548	1.5
203.07178	9.0
205.01424	1.3
205.05080	5.8
213.05458	1.2
221.08221	1.5
227.07062	1.3
229.05017	3.4
243.03001	2.9
245.04552	2.7
245.08244	9.2
255.03169	4.8
256.03668	2.8
257.04401	1.3
266.89282	1.1
273.04099	7.3
281.04587	2.9
283.02301	1.5
287.05585	6.2
289.07220	53.9
290.07596	3.1
299.05634	6.1
339.08685	1.9
355.86502	1.3
381.10016	2.5
407.07733	40.0
408.08154	4.7
425.08826	13.5
451.10641	7.5
577.13501	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1355
Annotation	ent-Epicatechin-(4alpha->8)-ent-epicatechin
Peak:m/z	Relative Intensity
57.03173	1.5
57.03450	13.5
68.53745	0.9
69.84341	4.7
70.86632	0.9
73.02956	1.1
81.03455	2.8
83.01392	4.8
93.03453	2.9
95.05048	2.3
96.95991	1.5
97.02963	4.1
105.95580	1.0
107.05037	2.1
109.02966	20.3
120.38034	0.9
121.02966	4.7
122.03773	1.1
123.04530	13.6
125.02456	100.0
126.02778	2.4
129.31859	1.0
133.02966	4.4
135.04489	2.8
137.02460	20.3
139.04016	3.0
145.02931	1.8
146.03781	1.5
147.04443	1.2
149.02444	5.6
151.04021	11.5
159.04457	5.1
160.05263	1.0
161.02454	26.4
161.06038	5.2
162.03204	2.1
163.00398	2.1
163.03952	2.1
164.01175	3.8
165.01909	5.1
173.04591	2.1
173.06004	2.1
174.03210	1.7
175.04022	6.7
175.07649	1.8
177.01877	5.3
179.03494	4.3
185.06105	2.1
187.04044	6.7
188.04776	3.5
190.02676	1.3
191.05637	2.3
201.05576	2.4
202.06378	1.2
203.03546	2.2
203.07166	9.3
205.01393	2.7
205.05061	6.0
211.03935	1.9
213.05533	1.5
215.03470	2.4
217.05045	2.2
221.08255	2.4
227.07181	2.3
229.05022	2.8
230.05862	1.1
243.02979	3.1
243.06667	1.5
245.04468	6.2
245.08183	10.7
247.06154	1.3
255.02997	7.7
256.03687	6.4
257.04495	1.5
269.04590	1.9
273.04071	5.4
281.04507	3.3
283.02502	1.4
285.04050	2.3
287.05493	7.0
289.07199	69.2
290.07529	4.0
297.04257	1.9
299.05679	6.2
316.93719	1.1
329.06519	2.0
339.08725	3.7
381.09836	3.4
407.07687	57.8
408.08167	5.4
425.08890	17.3
451.10474	11.0
559.12616	1.9
577.13281	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75017	1.4
57.03455	15.4
57.03872	1.2
60.38713	1.3
60.42730	1.2
81.03465	2.9
83.01399	4.9
93.03476	1.7
95.05058	2.4
97.02963	5.0
109.02956	18.5
109.03624	1.8
115.75282	1.4
121.02978	3.3
123.04528	15.8
125.02456	100.0
126.02801	1.8
133.02945	5.1
135.04568	4.1
137.02472	21.1
139.04022	3.3
145.02924	1.6
149.02438	5.4
151.04015	14.0
157.56799	1.3
159.04552	3.8
161.02466	30.9
161.06123	4.1
161.85159	1.4
162.03188	3.0
163.04057	3.7
164.01186	5.4
165.01945	7.4
175.04042	10.6
177.01944	5.4
178.19604	1.4
179.03542	4.8
185.06096	1.4
187.03976	9.6
188.04869	2.6
203.07120	8.5
205.01450	2.7
205.05051	6.2
211.03842	1.3
213.05667	1.9
227.03490	2.0
227.06985	1.6
229.05022	2.2
230.05812	2.1
243.02968	2.6
245.04575	5.4
245.08250	12.0
255.02986	7.3
256.03745	4.8
269.04620	1.7
273.04065	4.5
281.04556	4.0
285.03979	2.5
287.05621	8.5
289.07199	84.2
290.07480	5.1
299.05698	5.3
339.08820	4.2
381.09772	3.4
407.07736	64.0
408.07990	6.9
425.08810	21.8
451.10245	15.8
577.13782	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40484	1.2
57.03449	13.4
70.90900	2.6
75.17796	1.4
81.03460	2.9
83.01392	5.5
89.76865	1.2
93.03508	1.5
95.05019	1.5
97.02974	4.8
101.24354	1.2
107.05048	2.0
109.02260	1.3
109.02970	18.9
114.94110	1.3
119.05024	1.3
121.02943	4.2
123.04537	17.9
125.02460	100.0
126.02789	2.2
131.05040	1.4
133.02950	4.9
135.04584	2.0
137.02457	23.0
139.03992	3.1
145.02937	1.9
146.03697	1.3
149.02452	5.4
151.04034	11.9
159.04529	2.5
161.02458	30.4
161.06091	4.3
162.03117	1.4
163.00383	1.8
163.04001	3.5
164.01152	5.0
165.01941	5.0
167.03409	1.9
175.04008	10.7
175.07553	1.7
177.01994	6.0
177.05608	3.0
179.03465	3.1
183.92496	1.1
187.04021	6.6
188.04799	3.3
201.05672	1.9
202.06284	2.0
203.03487	1.6
203.07169	9.8
205.01390	3.5
205.05038	7.6
211.04140	1.2
212.31519	1.2
213.05615	1.7
215.03534	1.6
217.04976	1.6
221.08174	1.6
227.03540	1.3
227.07056	2.7
229.05078	3.7
243.02943	3.0
245.04706	6.6
245.08269	10.7
249.54668	1.3
255.03018	9.8
256.03784	5.5
257.04590	3.0
269.04568	2.3
271.06113	2.0
273.04147	4.2
281.04477	3.7
283.02487	1.4
285.04044	3.3
287.05630	8.0
289.07211	65.7
290.07538	5.1
297.04041	2.1
299.05576	5.6
339.08737	3.6
381.09717	2.8
407.07727	58.0
408.08072	3.7
425.08832	16.9
426.09073	2.3
451.10223	11.9
559.11975	2.2
577.13330	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	14.7
69.50918	7.2
70.55785	1.0
78.24877	1.2
78.72915	1.0
81.03464	1.9
83.01404	4.7
95.05031	2.8
97.02951	4.1
98.22575	2.3
108.02159	1.4
109.02961	17.7
121.02985	3.2
122.03802	1.4
123.04522	14.5
125.02458	100.0
126.02779	3.6
133.02942	2.5
134.14461	1.2
135.04541	2.0
137.02463	23.9
139.04002	3.6
146.03813	1.7
147.04558	1.2
149.02461	4.1
150.03276	1.7
151.04008	13.2
159.04564	3.3
161.02441	28.4
161.06104	4.8
162.03302	1.5
163.00433	1.9
163.04004	3.4
164.01094	2.6
165.01971	5.6
173.06100	1.6
175.04039	8.3
175.07616	1.6
177.01932	4.8
179.03549	5.8
187.04027	6.9
188.04778	2.6
189.05534	1.8
199.04007	1.3
202.06451	1.7
203.03470	2.4
203.07156	9.5
205.01314	2.6
205.05087	8.2
213.05600	2.4
217.05118	2.7
221.08151	2.2
227.03508	1.8
227.07175	1.6
228.04391	1.5
229.05067	3.7
231.03008	2.2
243.02927	2.8
245.04503	6.5
245.08153	10.8
247.06172	1.8
255.03052	8.0
256.03659	6.1
257.04538	2.9
269.04623	3.2
273.04068	5.3
281.04510	3.9
283.02518	2.0
285.03885	2.1
287.05649	8.6
289.07190	63.3
290.07495	3.7
299.05692	5.3
329.06506	1.6
339.08737	4.6
345.58353	1.4
381.09827	3.5
402.81528	1.3
407.07703	56.5
408.07974	5.7
425.08768	18.7
451.10413	10.2
577.13208	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17677	0.8
57.03449	15.0
58.51331	0.8
68.99861	3.5
69.00286	4.8
69.03472	1.3
70.39465	0.8
76.11592	1.0
76.45822	1.0
81.03446	1.9
83.01387	3.9
88.99464	0.8
93.03477	1.6
94.46090	0.9
95.05035	1.6
97.02946	3.7
97.87119	0.9
109.02969	14.3
112.91571	0.9
117.03483	0.9
121.02958	2.3
122.03699	0.9
123.04539	10.2
125.02458	100.0
126.02738	2.1
130.10040	0.9
133.02975	3.5
135.04573	2.0
137.02455	17.8
139.04042	2.0
145.03072	1.0
146.44545	1.0
149.02461	4.4
151.04028	10.6
159.04492	2.1
160.05376	1.0
161.02440	22.2
161.06123	2.6
162.03156	2.0
163.00377	1.6
163.04051	1.6
164.01180	2.9
165.01941	3.0
167.03514	1.7
173.06104	1.1
175.03996	6.5
175.07709	1.6
177.01921	4.9
177.05507	1.4
179.03535	2.7
185.06111	1.2
187.04007	4.9
188.04793	2.4
201.05586	1.8
203.03484	1.0
203.07129	7.3
205.01453	1.6
205.05035	5.8
212.04887	1.1
215.54057	1.1
217.05034	1.3
221.08232	1.9
227.03487	1.2
228.95470	0.9
229.05086	2.2
231.02946	1.1
243.02972	2.4
245.04485	2.3
245.08255	9.1
255.03032	4.2
256.03830	3.0
257.04562	1.5
269.04550	1.6
273.04102	4.1
281.04678	2.7
285.04126	1.3
287.05545	4.7
289.07193	46.4
290.07559	3.4
297.07587	1.3
299.05817	5.5
339.08554	1.8
340.54495	0.9
381.09842	1.7
407.07687	31.4
408.07962	2.9
425.08829	11.2
426.09250	1.2
451.10385	8.0
452.10553	1.2
463.18127	0.9
577.04407	1.0
577.13580	3.5
578.14172	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49154	0.7
56.82085	0.7
57.03440	1.8
59.01374	1.9
63.02379	1.3
64.96848	0.7
65.00319	5.0
69.82616	1.4
69.83024	2.7
73.02943	1.0
81.03458	1.0
83.01385	2.3
85.02975	1.1
87.29971	0.8
89.02428	1.0
93.03449	1.2
98.22439	0.9
99.32698	0.8
107.01389	5.5
109.02991	1.1
117.03452	1.6
121.02954	2.8
124.01690	1.2
125.02456	15.8
132.02217	1.1
133.03003	1.0
135.00923	1.1
143.03575	0.9
151.00409	10.7
152.01176	5.3
163.00386	1.3
164.01132	0.9
165.01955	2.5
171.04482	0.9
173.06097	2.2
174.95248	0.9
177.05557	1.4
178.99867	4.4
183.04530	1.6
187.03955	1.4
190.58386	0.7
201.05630	1.8
211.04016	2.0
213.05626	0.8
215.07112	2.0
222.04486	0.8
227.03522	45.5
228.03801	1.1
229.05045	2.3
239.03529	1.2
241.05103	1.3
243.06715	1.5
255.03011	76.4
256.03568	7.4
257.04495	2.0
259.06143	23.0
260.06561	1.4
269.04568	37.8
270.04837	1.7
271.02463	1.3
284.03284	100.0
285.03958	19.0
286.04376	1.3
287.05634	27.6
288.06161	1.1
300.02954	0.9
301.03735	4.2
577.15662	63.6
578.16461	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.0
59.01382	2.8
63.02390	1.5
63.38063	0.4
63.65442	0.4
65.00329	4.6
65.78539	0.4
67.01906	0.4
68.99804	0.6
70.55798	0.4
71.01382	1.4
71.72941	0.4
72.99321	0.5
73.02946	1.5
81.03452	0.7
83.01393	3.1
85.02962	1.4
87.00883	1.6
87.04512	0.4
89.02465	0.7
93.03471	1.5
97.02938	0.5
99.00912	0.4
101.02433	1.3
102.37370	0.4
107.01397	5.3
115.04007	0.8
117.03476	4.4
119.05039	0.5
121.02967	1.9
124.01675	2.3
125.02464	9.5
131.03494	1.1
133.02925	0.7
135.04544	0.6
137.02446	0.5
143.03510	4.2
145.06650	0.4
149.02466	0.7
150.99182	0.8
151.00386	12.2
152.01170	9.9
155.05003	0.8
157.06615	0.6
159.04567	0.5
161.02486	0.5
165.01939	3.4
169.06631	0.7
172.05269	0.5
173.06114	1.7
177.05521	0.6
178.99867	6.7
180.05801	0.5
181.06551	0.9
183.04613	0.5
196.05270	0.6
197.06053	1.7
199.03998	0.7
201.05615	1.3
205.07182	0.7
207.04659	0.4
213.05736	0.6
215.07155	1.5
221.74860	0.4
225.05653	2.7
227.03560	0.6
229.50018	0.5
241.05122	0.9
243.06619	1.3
245.13980	0.3
255.02928	0.9
259.06119	17.3
260.06482	1.1
269.04559	100.0
270.04877	4.9
284.03299	0.5
285.04086	1.6
286.04440	1.6
287.05618	18.7
288.06049	1.1
301.03314	0.4
498.30200	0.4
514.00769	0.4
568.62787	0.4
577.15710	10.7
578.15973	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38599	1.0
57.03451	9.4
59.01382	10.4
59.89196	0.9
60.38892	0.9
61.98839	1.1
63.02413	2.9
65.00332	6.6
67.01899	0.9
68.99825	0.9
69.12003	1.8
69.12401	5.7
69.22110	0.9
71.01385	5.6
72.99310	1.9
73.02959	3.1
81.03461	3.1
83.01399	7.9
85.02973	2.1
87.00890	1.6
89.02465	4.5
93.03491	4.4
95.01400	1.5
97.02963	2.1
101.02483	3.0
107.01402	9.8
107.05037	1.7
108.05838	2.0
109.02951	1.4
109.06597	7.8
111.00907	1.9
111.04513	1.1
113.02490	2.5
115.05527	1.9
117.03488	1.5
119.05042	1.5
121.02973	3.5
121.06628	1.5
123.00880	1.1
123.04595	2.0
124.01700	5.7
125.02456	47.5
126.02809	1.4
131.03564	2.2
131.05029	1.3
133.02968	3.0
134.03827	1.2
135.04559	3.4
137.02481	1.8
137.06104	2.6
145.06642	1.3
149.04654	2.1
149.06114	4.4
150.06828	1.0
151.00383	19.0
151.07713	1.3
152.01176	19.8
153.01997	2.0
156.05843	1.5
157.06723	1.0
159.04527	1.6
161.04774	1.0
161.06142	3.8
163.07692	1.4
163.11320	6.7
165.01941	7.4
169.06677	1.4
171.04655	1.2
172.05328	2.7
173.04863	1.3
173.06075	6.6
174.06891	1.2
175.03963	1.2
175.07603	1.1
177.05576	4.0
178.99876	22.3
180.00517	1.0
187.07678	2.3
189.09155	1.8
191.05621	2.7
193.01523	1.2
197.06027	1.6
199.07635	1.8
201.05592	3.8
203.03685	1.0
207.10274	2.1
215.07103	7.5
225.05536	1.5
227.03734	1.0
231.19464	0.9
241.05127	2.7
243.06679	7.0
251.09210	1.5
252.09828	1.7
256.03326	1.2
259.06110	98.3
260.06381	5.2
269.04562	20.4
277.14481	9.5
285.04053	8.3
286.04477	10.2
287.05634	100.0
288.05975	5.4
321.13495	2.9
369.09872	1.5
399.23834	1.8
413.09015	2.6
421.16602	1.7
497.21838	1.3
515.22870	2.2
533.23810	2.0
541.21295	1.7
559.14264	5.7
559.21942	1.9
576.22125	1.5
577.15302	5.0
577.22632	43.1
578.23145	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.185
Annotation	Renieramycin H
Peak:m/z	Relative Intensity
56.67683	4.1
57.03442	5.8
59.01397	4.9
59.41043	4.2
61.98821	10.9
64.26492	5.7
70.95130	10.8
79.05610	4.4
100.02332	4.8
121.88817	5.0
160.84230	5.2
179.07097	8.6
187.79071	5.3
234.84012	4.7
235.73486	4.9
238.76314	4.0
271.25394	4.8
281.10422	8.6
421.16544	12.0
461.19739	5.4
468.05832	5.3
523.19568	16.1
534.24493	5.1
541.20813	8.8
577.18451	100.0
578.18799	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52559	2.7
57.03437	8.2
59.01377	5.6
61.98831	59.5
64.53264	3.0
68.97923	7.5
68.98312	29.1
85.02940	4.2
91.77441	3.1
92.94494	3.4
125.02469	8.5
130.29889	3.1
145.10240	4.6
149.06085	3.0
151.03975	3.3
151.07631	3.5
156.59966	3.1
161.09637	2.9
179.07153	7.5
189.09225	4.2
281.10220	4.5
289.07199	3.8
302.90509	3.1
399.23840	4.3
404.61215	2.8
407.07245	3.9
421.16516	8.4
435.21707	4.7
461.19598	5.4
517.25171	4.1
517.31586	18.0
523.19885	12.0
531.28125	6.6
541.20538	17.1
577.18433	100.0
578.18811	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	10.1
59.01382	65.4
61.98833	92.7
62.03057	5.0
65.44723	4.7
67.52693	4.3
69.03450	14.3
69.05018	49.1
70.34602	4.4
71.01383	47.7
72.99291	6.7
73.02930	12.8
75.00867	5.4
76.08067	4.6
83.05012	4.5
85.02962	14.9
87.00885	13.8
89.02450	65.8
96.50440	4.9
97.06603	7.3
98.22528	11.1
99.04514	6.1
101.02445	40.7
109.02988	4.9
109.06579	6.0
113.02439	28.8
119.03498	14.7
121.06536	5.8
125.02455	92.4
131.03526	37.0
135.04543	5.1
137.02371	5.4
137.09698	5.3
149.04564	38.2
153.91869	4.7
161.04546	12.0
173.04535	6.9
179.05547	13.7
191.05635	34.5
193.12366	13.9
225.14935	14.6
243.15982	10.0
253.09308	23.6
289.07346	6.0
341.23309	100.0
385.17053	5.6
393.20703	8.9
399.23831	19.4
415.21225	10.9
479.24121	6.9
519.31458	14.7
523.23132	6.1
531.28040	13.1
541.23907	29.0
577.21350	51.5
578.22974	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	18.8
59.01382	61.9
61.98841	69.1
71.01378	44.2
71.32322	12.0
73.02940	28.6
74.02482	88.7
75.00896	9.1
81.03459	8.7
83.01397	17.9
85.02955	23.6
87.00892	12.3
87.36106	7.6
89.02452	45.5
92.89533	6.4
93.03483	8.1
97.02943	16.3
98.02475	8.9
99.00901	12.2
101.02459	32.3
107.01443	8.4
107.92220	6.8
108.02215	8.8
109.02948	23.2
111.96735	7.2
113.02475	20.4
116.05076	74.0
119.05023	18.2
121.02995	17.7
123.04514	23.3
125.02465	76.2
131.03468	19.7
133.02931	23.8
134.03708	21.5
135.04500	17.5
136.05394	8.6
137.02463	24.3
137.06055	7.3
142.06635	12.5
143.03519	8.7
145.02965	19.6
149.02467	50.1
149.04556	16.6
149.06067	40.9
150.03235	58.5
151.04022	44.5
159.09308	18.9
161.02463	67.1
161.04578	11.2
162.03181	8.4
163.04025	19.6
164.04823	9.4
165.01976	11.3
165.05569	27.1
173.04749	8.2
175.03963	12.5
177.05540	9.9
178.99936	9.8
179.03516	10.9
181.05124	10.1
186.05624	8.2
187.04091	10.0
191.05562	18.2
203.08321	100.0
205.05101	10.4
220.09770	23.5
224.07182	20.1
227.03505	11.9
234.07640	15.0
235.12755	7.5
241.01245	13.1
242.02299	10.1
245.08313	9.2
255.02962	18.0
259.06116	19.6
266.10373	15.0
269.04544	36.8
270.01852	17.3
271.02475	9.8
284.03412	13.4
285.04050	20.4
286.04462	12.6
287.05435	20.4
289.07169	41.9
298.01205	13.4
299.01962	15.4
371.18637	20.7
381.14651	17.6
393.20706	9.8
395.16235	79.8
399.23792	25.4
407.07938	22.9
408.08228	10.8
425.08716	12.1
443.26501	13.1
497.04150	7.7
529.20062	54.5
531.28052	32.6
541.19452	22.1
559.20819	43.5
560.21252	15.1
577.14911	9.8
577.21619	88.4
577.29932	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	10.1
59.01382	65.4
61.98833	92.7
62.03057	5.0
65.44723	4.7
67.52693	4.3
69.03450	14.3
69.05018	49.1
70.34602	4.4
71.01383	47.7
72.99291	6.7
73.02930	12.8
75.00867	5.4
76.08067	4.6
83.05012	4.5
85.02962	14.9
87.00885	13.8
89.02450	65.8
96.50440	4.9
97.06603	7.3
98.22528	11.1
99.04514	6.1
101.02445	40.7
109.02988	4.9
109.06579	6.0
113.02439	28.8
119.03498	14.7
121.06536	5.8
125.02455	92.4
131.03526	37.0
135.04543	5.1
137.02371	5.4
137.09698	5.3
149.04564	38.2
153.91869	4.7
161.04546	12.0
173.04535	6.9
179.05547	13.7
191.05635	34.5
193.12366	13.9
225.14935	14.6
243.15982	10.0
253.09308	23.6
289.07346	6.0
341.23309	100.0
385.17053	5.6
393.20703	8.9
399.23831	19.4
415.21225	10.9
479.24121	6.9
519.31458	14.7
523.23132	6.1
531.28040	13.1
541.23907	29.0
577.21350	51.5
578.22974	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60645	2.3
53.56738	2.3
57.03439	5.4
59.01373	14.8
61.98836	100.0
68.31934	2.5
69.03467	3.4
71.01382	11.1
72.11010	2.2
72.99312	6.1
73.02958	3.1
75.00879	3.4
79.95723	2.7
80.96523	3.8
85.02982	3.6
87.00883	6.3
89.02454	9.2
97.02978	3.4
101.02444	7.8
109.02922	3.5
113.02446	9.1
123.04517	2.4
125.02473	15.6
127.04010	7.1
131.03481	2.7
134.26866	2.8
135.04494	3.2
137.02486	2.8
137.09752	4.2
139.07651	3.2
145.47049	2.6
149.04422	2.6
151.07628	4.0
153.05569	2.7
161.02498	3.0
171.10393	2.7
173.04617	4.7
187.09799	3.8
191.05653	3.3
201.09277	2.9
227.09213	5.8
255.03000	3.3
267.90823	2.5
269.04437	5.9
284.03250	2.6
285.04013	2.9
289.07132	3.9
341.23059	4.7
387.18216	2.7
399.23767	5.3
407.07623	4.5
409.20029	3.2
479.24713	4.6
505.21997	3.2
523.23492	6.5
531.21692	12.3
541.24408	24.8
577.21332	32.9
578.22882	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17422	0.4
53.94640	0.5
57.03444	1.8
59.01374	1.5
61.98839	0.8
63.06750	0.4
69.03453	1.7
71.01377	2.2
71.05030	1.2
72.99307	3.3
73.02962	4.3
75.00883	0.5
79.05553	0.4
81.03455	0.8
83.05076	0.5
85.02960	1.7
85.06583	0.6
87.04518	5.1
87.24251	0.5
94.04253	1.0
95.05026	0.8
97.02983	1.2
97.06590	0.9
99.04562	0.7
106.04261	1.9
107.05059	1.6
108.02172	0.9
109.02972	0.8
109.06597	26.9
111.04507	0.6
111.08171	0.7
113.02477	0.7
113.06112	0.7
121.06621	3.8
122.03719	1.5
123.04527	2.4
123.08186	1.7
124.05304	0.8
125.02434	0.6
125.06100	3.1
131.03540	0.7
133.02986	0.6
133.06631	1.1
135.04468	0.7
135.08167	1.3
136.05272	0.7
137.06075	6.6
137.09723	0.9
138.06845	0.6
139.06772	0.5
139.07637	2.8
139.19830	0.5
145.06577	0.6
147.04474	0.6
147.08228	0.5
149.06088	1.9
149.09735	1.6
151.04028	0.6
151.07649	1.8
153.05562	1.1
159.04550	0.5
159.08070	0.7
161.06091	1.0
161.09720	2.8
162.06799	0.5
163.07687	1.4
163.11298	2.0
165.05591	1.0
165.09212	1.6
167.07170	4.9
173.09721	2.0
175.07817	0.7
175.11292	4.8
177.05551	0.9
177.09203	4.0
179.07169	1.4
179.10774	2.5
181.08705	1.4
185.09663	0.9
187.07661	0.6
187.11285	1.7
189.05788	0.6
189.09256	1.7
189.12875	2.0
191.07169	2.3
191.10776	2.5
194.98863	0.5
201.09161	1.2
201.12842	0.7
203.07137	0.5
203.10732	0.8
204.07759	0.6
205.08687	1.1
207.10280	1.7
211.11232	0.6
213.09262	1.0
215.10742	2.4
217.08711	2.8
217.12350	0.9
219.10210	4.0
219.14247	0.5
223.09593	0.6
227.14511	0.6
229.08830	0.6
229.12338	2.0
231.10272	1.5
233.11943	1.1
235.09744	0.6
237.11304	1.0
245.11833	0.7
247.09610	0.6
269.11862	0.6
271.17108	0.6
273.11270	0.8
281.15561	1.0
297.11313	1.0
297.18579	0.9
313.14581	1.1
321.15140	0.7
321.18790	0.7
323.16412	2.9
324.16837	0.6
331.15533	0.6
335.16403	0.6
339.19507	0.6
341.13837	1.1
341.17551	0.9
365.17691	1.6
367.15601	2.1
369.09692	1.1
381.17038	0.6
383.18866	0.6
385.16617	1.9
391.23032	1.0
393.20898	0.8
401.19812	1.3
409.23956	1.9
415.21405	0.8
425.16260	0.8
435.21857	2.0
437.19742	1.9
453.22977	6.0
454.23239	0.7
455.20770	4.1
467.20340	0.6
471.23712	2.6
473.21661	1.4
479.20776	3.9
489.25070	1.5
497.21875	3.1
499.19675	2.4
500.20340	0.6
515.22955	5.9
517.20764	5.3
533.23950	25.7
534.24298	2.2
535.22211	0.6
541.20648	1.4
559.21844	2.9
560.96936	0.5
577.22919	100.0
578.23456	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	3.5
59.01377	6.4
63.02404	2.4
65.00323	5.1
66.33468	1.5
69.03464	2.7
69.16441	5.8
69.16866	5.2
71.01380	5.5
72.99306	5.7
73.02953	5.2
81.03481	1.5
83.01392	4.2
83.05033	2.0
87.00880	3.2
87.04542	2.1
89.02447	1.7
93.03456	3.3
94.62456	1.4
95.05022	2.7
97.02954	3.1
97.06623	1.4
101.02506	2.0
107.01405	10.8
107.05028	3.1
109.02969	5.3
109.06591	19.4
109.17482	1.3
117.03501	3.6
121.02961	6.8
121.06614	5.1
123.04521	3.6
123.08172	1.7
124.01705	2.1
125.02476	16.5
125.06098	2.9
131.03506	1.5
133.02946	2.5
133.06635	1.9
135.00919	1.9
135.04552	3.0
136.05328	1.4
137.02487	1.8
137.06117	5.0
139.07721	7.2
140.97864	1.5
143.03532	3.0
145.33949	1.5
149.02437	2.5
149.06093	2.3
149.09694	2.6
151.00391	28.2
152.01163	7.2
159.04462	2.4
159.08237	2.0
161.04512	1.6
161.06047	3.0
161.09747	4.5
163.00415	3.8
163.07707	1.7
163.11311	8.6
165.01985	2.2
167.87440	1.5
169.06560	1.7
173.06198	2.8
177.05568	2.4
177.09200	4.8
178.99884	14.5
179.10794	4.8
181.08736	2.2
183.04594	2.4
187.07620	2.1
189.09212	2.6
191.10809	2.4
199.04056	1.8
203.10782	1.5
205.08601	1.8
207.10274	2.7
211.04045	3.1
214.06358	2.2
215.10684	1.7
217.12411	3.6
219.10278	2.4
225.05611	3.6
227.03537	13.2
231.10265	1.9
233.11813	3.7
243.03027	3.9
245.04616	3.7
247.13409	1.8
255.03026	28.7
256.03653	2.6
257.04318	1.7
259.06119	17.7
269.04572	100.0
270.04965	5.4
271.02521	14.9
273.04068	1.7
274.51407	1.5
283.02521	2.9
284.03317	30.1
285.03836	6.5
286.04483	2.1
287.05545	15.8
300.02747	13.9
301.03568	88.3
302.03973	7.8
321.18710	2.0
377.17636	2.8
407.07687	2.5
431.21161	1.4
435.21667	2.5
453.22568	2.7
471.23721	3.8
489.25031	1.9
497.21957	2.1
515.23145	3.9
533.24042	32.9
534.24103	5.1
541.20703	2.9
559.21667	3.9
577.15094	20.5
577.23004	51.7
578.15662	3.4
578.23627	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69730	1.5
57.03434	4.5
59.01391	8.1
59.19384	1.4
61.98823	5.6
69.03459	2.8
69.44272	5.7
71.01366	5.8
71.05036	1.8
72.31362	1.3
72.99313	14.5
73.02937	6.0
78.71284	1.2
81.03424	1.3
81.36660	1.2
83.01378	2.2
83.05025	1.8
85.02942	3.1
87.00899	2.3
87.04517	2.4
89.02455	2.2
93.03475	2.9
95.01347	1.6
95.05008	3.2
97.02935	4.1
97.06585	1.7
98.21809	2.6
99.04517	2.9
101.02448	5.3
105.07083	2.3
107.01381	2.8
107.05047	4.0
109.02920	2.1
109.06609	19.2
111.00859	3.1
111.04514	3.1
113.02473	3.1
119.03545	1.7
121.02955	2.3
121.06596	4.2
123.04507	4.3
125.02426	6.3
125.06060	2.0
135.04536	2.2
135.08119	1.7
137.06114	7.3
139.07654	4.8
147.08150	1.7
149.06059	2.8
151.00342	4.3
151.07629	1.8
152.01125	4.4
158.43431	1.4
159.04489	2.8
159.08131	1.9
161.06122	2.5
161.09682	1.8
163.07610	1.7
163.11333	7.2
171.08157	1.7
173.09613	1.7
175.03990	2.1
175.07613	1.7
177.05582	3.3
177.09235	3.8
178.99911	7.2
179.07164	1.7
179.10794	2.9
189.09308	2.1
189.12845	1.4
191.05603	3.5
191.10725	1.8
193.08537	1.6
199.07495	1.5
201.09224	2.1
205.08836	1.7
207.10320	1.7
214.06287	1.7
215.10742	2.8
216.07983	1.5
217.08582	2.2
227.03539	3.8
228.03790	3.9
229.04100	1.6
255.02988	5.9
255.09958	1.9
256.03333	4.9
257.03595	4.0
259.06158	8.2
269.04584	11.1
284.03198	6.3
285.03983	19.7
286.04294	18.7
287.04694	18.4
377.17078	2.2
395.18533	4.9
413.19907	3.8
415.23248	3.4
436.24164	4.2
441.22849	2.4
453.22989	2.1
457.29129	1.6
467.20468	2.1
468.10913	1.8
471.23978	2.2
475.19650	1.6
485.22296	10.3
486.21991	1.9
497.21591	5.8
515.22852	12.2
516.23413	1.9
533.24005	28.3
534.24469	3.6
559.14215	2.4
559.21716	9.5
577.15045	9.3
577.22650	100.0
578.23096	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65695	1.1
59.01378	3.6
62.88052	1.0
67.01897	22.8
67.56699	1.0
67.91547	0.9
69.03450	1.6
71.01380	2.2
72.99314	100.0
73.02962	2.1
85.02959	3.2
87.00874	0.9
95.05038	2.3
97.02967	6.2
97.06550	2.0
98.22058	5.3
107.05027	2.2
109.02938	1.8
109.06588	7.8
112.98829	3.1
113.02538	0.9
121.06609	2.0
121.55084	1.4
122.03738	3.4
123.04495	1.5
125.02507	1.2
125.06097	8.9
135.04520	1.0
135.08163	1.4
136.05305	1.4
137.06097	23.7
139.07713	1.5
147.08154	2.3
149.06114	3.4
151.07660	1.9
161.06102	1.6
161.09712	2.3
163.07645	2.2
163.11273	2.5
165.09312	1.4
169.05074	35.4
173.09761	1.1
175.07713	1.1
179.07178	1.7
187.06134	42.9
188.06552	1.2
189.09224	1.3
191.10767	2.1
202.92436	1.0
203.07251	1.0
213.09381	1.0
219.10211	3.4
271.13544	1.2
273.11456	1.2
287.12866	1.4
293.08646	1.0
297.14862	1.2
325.84256	1.0
333.13568	3.3
381.17682	1.1
387.18134	1.4
399.18134	1.4
423.22250	1.9
449.19604	3.0
461.19629	1.9
467.20712	11.6
468.20709	1.3
479.20596	2.7
485.21747	3.8
497.21405	2.2
541.20520	9.3
559.21869	13.2
560.22382	1.6
577.22980	22.3
578.23102	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90728	1.5
57.03450	2.9
58.00599	2.4
59.01382	100.0
65.00320	1.5
69.26970	11.5
70.86690	1.3
71.01386	48.0
72.99300	2.2
73.02952	7.9
83.01405	4.1
85.02954	11.2
86.05627	1.6
87.00883	6.2
89.02450	80.5
93.58526	1.5
99.00880	10.0
101.02448	37.0
113.02464	10.1
113.09706	1.7
119.03510	7.2
125.02463	10.4
129.01932	5.2
131.03511	77.3
143.03491	1.8
149.04565	80.7
151.00397	2.3
152.01187	3.0
161.04567	2.5
161.09775	1.9
173.04524	1.8
179.05659	3.2
179.10764	1.7
187.11227	7.6
191.05614	69.6
199.61844	1.4
205.12363	6.0
221.06686	6.2
223.09790	2.4
233.11823	2.2
251.07846	7.0
259.06137	9.7
262.72342	1.6
269.04559	2.0
271.02655	2.2
287.05603	8.8
300.02838	2.3
301.03564	4.8
311.09869	4.0
311.22214	1.7
385.18875	3.7
517.22742	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90728	1.5
57.03450	2.9
58.00599	2.4
59.01382	100.0
65.00320	1.5
69.26970	11.5
70.86690	1.3
71.01386	48.0
72.99300	2.2
73.02952	7.9
83.01405	4.1
85.02954	11.2
86.05627	1.6
87.00883	6.2
89.02450	80.5
93.58526	1.5
99.00880	10.0
101.02448	37.0
113.02464	10.1
113.09706	1.7
119.03510	7.2
125.02463	10.4
129.01932	5.2
131.03511	77.3
143.03491	1.8
149.04565	80.7
151.00397	2.3
152.01187	3.0
161.04567	2.5
161.09775	1.9
173.04524	1.8
179.05659	3.2
179.10764	1.7
187.11227	7.6
191.05614	69.6
199.61844	1.4
205.12363	6.0
221.06686	6.2
223.09790	2.4
233.11823	2.2
251.07846	7.0
259.06137	9.7
262.72342	1.6
269.04559	2.0
271.02655	2.2
287.05603	8.8
300.02838	2.3
301.03564	4.8
311.09869	4.0
311.22214	1.7
385.18875	3.7
517.22742	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	18.1
59.01382	62.5
71.01390	53.5
73.02970	5.8
78.96440	2.6
83.01392	4.9
85.02967	13.3
87.00902	3.3
89.02455	69.6
95.05024	2.8
97.02957	4.2
98.21807	7.0
99.00894	7.3
101.02448	29.5
109.02964	10.6
113.02496	11.0
119.03496	4.5
123.04510	13.6
125.02453	100.0
126.02789	6.0
129.02002	3.4
131.03505	43.4
137.02443	21.5
138.06903	3.2
143.03484	3.8
149.02539	4.8
149.04565	46.0
151.04004	13.4
152.04402	4.8
152.08437	7.5
153.09230	13.3
161.02460	20.4
161.04579	6.8
162.03018	3.8
165.01991	5.3
173.04533	3.4
175.04004	7.8
177.01913	3.6
178.02501	3.2
179.03532	4.4
179.05579	4.0
187.04208	3.9
191.05652	28.0
203.07175	6.3
205.05016	4.5
205.12283	17.6
222.84598	2.8
223.13431	2.9
245.04605	7.0
245.08080	6.5
255.02950	4.8
256.03586	4.3
257.04758	3.5
287.05655	8.1
289.07208	38.9
290.07614	3.8
293.08630	3.3
299.05594	4.5
311.10141	2.7
339.08737	4.8
381.10187	3.7
385.18683	11.0
407.07608	27.5
408.08405	4.8
425.08896	10.4
451.10254	10.7
517.22888	27.4
518.23413	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	18.1
59.01382	62.5
71.01390	53.5
73.02970	5.8
78.96440	2.6
83.01392	4.9
85.02967	13.3
87.00902	3.3
89.02455	69.6
95.05024	2.8
97.02957	4.2
98.21807	7.0
99.00894	7.3
101.02448	29.5
109.02964	10.6
113.02496	11.0
119.03496	4.5
123.04510	13.6
125.02453	100.0
126.02789	6.0
129.02002	3.4
131.03505	43.4
137.02443	21.5
138.06903	3.2
143.03484	3.8
149.02539	4.8
149.04565	46.0
151.04004	13.4
152.04402	4.8
152.08437	7.5
153.09230	13.3
161.02460	20.4
161.04579	6.8
162.03018	3.8
165.01991	5.3
173.04533	3.4
175.04004	7.8
177.01913	3.6
178.02501	3.2
179.03532	4.4
179.05579	4.0
187.04208	3.9
191.05652	28.0
203.07175	6.3
205.05016	4.5
205.12283	17.6
222.84598	2.8
223.13431	2.9
245.04605	7.0
245.08080	6.5
255.02950	4.8
256.03586	4.3
257.04758	3.5
287.05655	8.1
289.07208	38.9
290.07614	3.8
293.08630	3.3
299.05594	4.5
311.10141	2.7
339.08737	4.8
381.10187	3.7
385.18683	11.0
407.07608	27.5
408.08405	4.8
425.08896	10.4
451.10254	10.7
517.22888	27.4
518.23413	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	10.8
61.98834	41.1
70.25653	3.7
71.21944	4.2
82.95422	5.4
84.95125	23.0
84.99950	8.3
85.00443	100.0
98.22533	8.8
125.02494	7.1
131.93504	5.0
133.09055	4.3
149.02480	6.0
150.03249	10.5
160.84187	21.6
165.05602	12.1
195.79060	4.2
407.07672	5.9
530.38776	5.3
554.14075	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51396	2.6
59.01393	4.4
61.98820	16.0
71.01395	7.7
71.29214	2.6
78.95914	18.7
78.98572	6.7
79.82511	2.6
79.95731	9.1
80.96527	72.5
85.02929	2.9
94.98077	17.5
101.02476	3.6
106.98122	4.4
122.97585	6.7
125.02458	6.9
134.97615	4.1
138.72557	3.1
148.99130	3.5
152.98624	6.8
164.98648	8.4
225.00789	17.1
279.23318	75.5
280.23654	6.0
476.28043	8.2
504.30972	7.3
577.27008	100.0
578.27594	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.4
61.98837	52.9
63.96254	0.8
69.02750	2.7
69.03176	3.6
71.01395	7.6
73.02940	1.7
78.95901	0.9
78.98598	5.7
79.95743	10.7
80.96526	66.6
81.03462	0.9
83.38620	0.6
85.02969	3.3
87.00889	3.2
94.98096	16.8
95.01433	0.7
96.96034	1.3
97.02982	1.8
101.02460	2.5
104.04288	0.6
106.98139	3.2
110.29876	0.6
116.30861	0.7
121.02943	0.8
122.97598	5.3
125.02454	3.8
127.03971	0.8
134.97606	5.8
136.99159	0.8
148.99133	5.5
152.98674	7.0
164.98640	12.4
180.80794	0.6
182.99707	2.2
206.99728	3.3
225.00758	15.4
227.97429	0.7
243.01852	1.4
277.21790	1.3
279.23355	11.1
292.38391	0.6
299.04523	3.3
378.40768	0.7
504.31253	2.6
577.26929	100.0
578.27118	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.0
61.98833	21.9
71.01392	2.4
75.73843	1.0
78.95922	15.8
86.94273	0.9
87.00908	1.2
93.03402	2.2
101.02480	1.0
109.06566	1.0
113.09708	2.1
125.02433	2.8
152.99605	7.3
168.04271	1.7
171.00623	1.4
188.10344	1.0
191.05627	3.6
195.13930	15.9
195.61601	1.1
197.66972	0.9
219.67688	1.1
224.06915	1.4
228.62584	1.0
242.08089	4.6
277.18530	1.9
277.21695	16.8
278.22305	1.2
283.27505	1.2
295.22794	100.0
296.23093	5.5
341.23267	1.9
449.23297	3.6
451.02032	1.2
492.23828	1.2
520.30481	64.9
521.30859	6.6
577.32520	2.1
578.30884	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95643	2.3
64.64295	2.2
67.88153	2.2
68.98971	5.6
68.99390	16.9
72.25790	2.1
76.84735	2.4
78.95904	2.9
91.03971	2.4
95.05022	2.5
97.31960	2.1
98.66650	2.2
105.03483	9.6
132.02176	6.1
133.02975	43.1
134.03720	9.1
135.04553	5.1
139.00888	2.2
148.05272	3.2
149.06125	3.4
152.99654	2.7
160.01691	28.8
161.02466	24.1
161.06107	2.9
175.04016	73.4
177.02039	3.2
178.02721	3.0
179.03470	3.6
193.05060	8.8
197.11819	7.1
217.86797	2.4
247.09749	3.1
279.23438	4.3
327.29202	9.6
401.27164	5.1
471.31238	9.5
485.32739	25.9
485.83270	2.7
486.32944	3.2
503.33865	41.2
504.33972	4.2
562.34784	4.4
577.37488	100.0
578.37518	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00202	2.7
70.53019	2.6
70.85697	5.0
90.75025	2.4
95.05029	2.8
105.03477	11.0
116.54060	2.5
116.92875	3.7
122.70110	2.8
132.02180	4.1
133.02986	36.3
134.03758	9.1
135.04541	5.9
139.04080	4.5
148.05280	3.4
160.01680	27.5
161.02512	15.7
161.06152	3.2
175.04019	64.9
193.05133	5.5
269.49677	2.7
276.74365	2.3
306.70691	2.9
327.29053	6.2
471.31223	5.2
485.32657	21.3
492.31833	16.9
503.33881	46.8
504.34448	3.7
577.28528	6.4
577.37537	100.0
578.37726	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60530	0.6
59.01394	1.9
60.77555	0.7
61.98835	100.0
63.99256	1.7
70.41667	1.0
70.41995	1.3
71.01396	0.8
103.71735	0.7
113.49954	0.6
125.02489	1.6
137.02504	0.8
139.07680	0.6
213.09451	0.6
222.33330	0.8
277.39667	0.6
373.47794	0.7
540.23944	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	78.9
69.18171	46.8
69.83573	6.9
71.01391	42.0
79.09641	8.5
85.02936	14.1
89.02448	79.1
95.01366	8.4
101.02435	31.7
109.06579	9.3
113.02464	13.1
119.03495	31.4
123.04562	8.5
125.02423	15.0
136.01663	13.1
143.03468	10.7
151.00388	12.0
151.04016	13.3
151.07652	9.6
158.93718	8.5
161.04567	13.5
166.02655	8.3
179.05620	25.9
243.03027	18.6
255.03003	29.6
259.12634	9.8
265.05087	13.1
269.04562	34.7
270.04813	12.3
271.02499	67.2
272.02921	11.8
280.07401	22.1
281.08240	9.4
295.09848	17.0
300.02774	97.8
301.03421	44.7
302.03928	33.5
354.12201	9.0
355.11774	49.9
449.07483	9.8
534.23920	15.2
578.23029	100.0
579.13440	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
67.25362	24.6
69.30740	54.9
69.31145	100.0
69.78933	21.3
96.51256	21.6
98.22557	45.7
109.06423	22.2
256.03235	28.6
264.95956	24.4
268.51361	24.4
269.04538	67.8
270.04886	40.4
272.03082	30.9
275.46335	23.7
301.03500	61.7
302.03830	74.2
578.22803	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54840	0.3
59.01389	1.2
61.98834	100.0
66.71674	0.3
69.01716	3.6
81.53739	0.3
94.35816	0.3
98.22165	2.0
139.67809	0.3
210.60091	0.4
313.45789	0.5
499.59784	0.3
500.12421	0.4
578.19458	0.6
579.18555	0.5
591.65570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77059	0.7
56.46450	0.9
57.11012	0.8
59.01379	1.4
61.98835	100.0
62.46727	0.8
63.12412	0.7
63.88044	0.8
68.18313	0.8
69.00323	8.8
93.03484	0.9
99.52514	0.8
125.02512	1.0
153.69058	1.0
162.15758	0.9
191.05722	1.4
222.97258	0.8
291.56906	0.9
407.46954	0.9
420.96954	1.1
543.22571	2.1
578.23083	0.9
587.27020	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40952	0.8
60.02249	0.6
61.98834	100.0
65.56154	0.7
69.72181	0.6
70.91020	0.7
70.91355	0.7
98.81499	0.7
125.02506	0.8
139.19865	0.7
146.60832	0.6
175.94872	0.6
186.18843	0.6
354.66632	0.7
599.40094	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.1
61.98834	100.0
66.40610	0.3
69.92467	1.2
71.01397	1.2
72.99319	0.4
73.02945	0.4
85.02958	0.8
87.00898	0.5
89.02487	0.6
98.21883	0.3
99.00939	0.3
101.02469	0.9
113.02513	0.3
121.24134	0.3
125.02433	0.5
131.03499	0.4
161.04593	0.7
170.93233	0.3
219.67603	0.3
271.02524	0.5
300.02792	0.7
304.43036	0.3
309.43747	0.3
400.24332	0.5
409.19055	0.4
531.28601	0.3
543.24597	0.3
579.14014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27612	0.5
59.66974	0.5
61.98835	100.0
69.07923	3.0
69.08346	2.0
69.79570	0.5
80.91690	1.2
82.95428	1.0
132.41179	0.6
165.54033	0.6
174.99907	0.6
264.81516	0.6
315.78909	0.7
453.30527	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
61.86810	2.8
61.98834	100.0
70.66427	2.6
70.78535	4.6
87.35802	3.4
87.78888	2.6
97.54666	3.5
101.57207	2.8
109.86802	2.8
152.77367	2.8
170.88983	3.0
179.48227	2.9
189.61203	2.8
217.04538	3.5
223.65164	3.3
305.70270	3.2
385.18030	3.3
471.31461	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80574	0.2
61.98834	100.0
63.99251	0.4
70.94202	0.7
72.99344	0.5
78.91909	1.0
87.73318	0.3
88.84998	0.3
93.71939	0.3
98.08782	0.3
98.21723	0.4
226.58449	0.3
290.64352	0.3
293.21487	0.7
352.74704	0.3
515.30133	2.1
521.31042	0.9
538.93390	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
70.59132	2.8
78.95931	2.0
78.98576	1.5
79.95755	2.1
80.96510	8.0
94.98096	2.6
99.04557	1.7
137.85747	1.3
148.99130	1.7
225.00716	2.5
313.65448	1.7
350.94861	1.4
455.43414	1.4
579.28156	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
70.20341	4.2
78.95931	1.8
80.96527	8.6
90.99962	1.1
91.35050	1.3
94.35060	1.0
94.98079	2.7
96.95996	1.7
105.05792	1.1
122.97569	1.7
125.02541	1.3
125.70187	0.9
158.07521	1.1
164.98653	1.6
185.39487	1.2
194.43443	1.1
209.11768	1.1
209.79971	1.1
225.00769	2.3
400.35593	1.1
567.49707	1.3
579.28357	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78557	0.6
55.88860	0.6
58.17944	0.6
59.01092	1.1
59.01385	19.6
61.98823	1.4
63.52796	0.6
69.80092	1.5
71.01369	0.6
78.95914	25.8
78.98555	0.7
80.96529	4.6
89.86661	0.8
94.98130	1.3
96.97028	0.6
116.92876	2.3
144.37804	0.7
152.99649	3.4
168.04327	3.2
199.94232	0.7
208.58876	0.6
224.06940	9.9
242.08000	2.0
279.23315	100.0
280.23676	7.7
323.19315	0.7
504.31006	54.4
505.31372	4.4
513.98779	0.7
532.84277	0.7
578.27301	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	15.4
61.98812	0.4
69.02998	1.6
69.03425	1.9
71.01373	0.4
72.54862	0.4
78.95914	6.0
79.95772	0.4
80.96519	2.4
87.75223	0.3
94.98111	1.0
125.02324	0.4
148.99141	0.6
152.99619	1.5
168.04323	1.2
224.06972	1.1
225.00757	0.3
239.54768	0.3
242.07997	2.0
261.22202	0.5
279.23315	100.0
280.23663	6.9
369.13037	0.4
410.53281	0.4
504.31012	23.0
505.31177	1.6
578.27490	4.0
579.26746	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28623	0.7
59.01368	3.6
63.28845	0.8
64.41833	0.9
65.00311	0.9
70.26016	2.3
89.74464	0.7
93.03533	1.0
98.22539	0.9
107.01391	2.0
126.90457	2.6
132.02242	0.8
146.62837	0.9
150.03259	0.9
151.00388	3.6
175.25539	0.9
178.99873	1.1
183.04478	1.7
211.04010	2.9
227.03506	43.1
228.03770	2.0
229.05078	2.8
241.05107	1.0
255.02995	75.0
256.03638	7.7
257.04364	2.1
283.02502	1.1
284.03275	100.0
285.03976	25.4
286.04413	1.3
309.04355	1.0
327.12381	1.1
339.12418	1.1
429.08243	2.9
447.09555	1.1
579.13580	66.5
580.13953	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01348	0.8
65.00327	0.7
69.12955	2.3
69.13373	4.0
71.01397	0.9
78.61278	0.6
107.01406	1.0
108.02227	0.9
117.66985	0.7
135.00826	0.8
148.01636	1.1
151.00388	4.0
163.00453	0.8
164.01036	0.8
178.99872	2.0
187.04106	0.7
199.04099	1.0
215.03494	0.9
226.02757	1.8
227.03531	2.7
243.02971	9.6
254.02226	1.8
255.03012	23.3
256.03412	1.4
271.02505	54.0
272.02863	3.4
284.03284	1.5
285.03931	1.5
299.01987	1.6
300.02762	100.0
301.03265	8.5
374.64548	0.8
579.13574	67.4
580.13928	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41015	0.4
61.78973	0.5
68.59286	0.4
74.62808	0.5
98.21746	1.2
101.44573	0.6
107.01367	0.6
108.02203	1.3
135.00909	0.6
148.01668	1.1
151.00398	3.4
164.01134	0.6
176.62753	0.5
178.99872	5.5
199.03941	0.6
212.09726	0.5
215.03642	0.7
216.04346	0.6
226.02818	0.8
227.03552	2.9
229.01294	0.5
243.02988	9.6
244.03578	1.2
254.02225	1.9
255.03026	23.7
256.03363	1.1
271.02505	45.7
272.02969	3.3
299.02048	1.6
300.02777	100.0
301.03284	7.2
415.06848	0.7
489.10376	0.6
579.13580	77.0
580.13885	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92709	1.0
57.03447	2.6
57.80785	1.1
59.01379	10.0
61.98835	7.8
65.00337	3.1
71.01392	6.5
71.31017	1.7
72.99304	2.2
73.02946	5.2
83.01385	2.7
83.05059	1.5
85.02957	4.4
87.00900	6.8
89.02432	4.8
95.01352	1.2
97.02930	1.8
101.02442	4.8
102.98621	1.2
107.01421	6.5
109.02934	1.7
109.06596	1.4
113.02454	1.5
117.03436	2.3
121.02975	1.6
124.01659	2.0
125.02421	4.2
125.32481	1.1
135.04562	1.8
137.02534	1.4
143.03429	1.7
151.00397	11.6
151.03966	2.0
152.01192	6.5
161.09766	1.3
165.01845	2.4
171.04436	1.4
178.99866	6.7
183.04532	1.5
187.07610	1.7
191.05550	3.8
192.18274	1.6
199.03935	4.9
215.03499	2.9
225.05519	2.2
227.03477	12.9
229.05058	2.5
241.05069	2.0
242.02232	2.8
243.02954	14.4
255.02991	21.8
256.03528	1.8
257.04675	2.8
259.06049	4.2
260.06305	3.8
261.06555	2.4
269.04562	61.6
270.01880	2.1
270.04889	8.9
271.02512	57.7
271.05130	6.5
272.02853	4.0
279.10596	1.6
284.03320	7.6
285.04080	34.1
286.04593	2.5
287.05566	4.0
288.05902	2.8
289.06088	3.3
293.47720	1.5
299.01999	75.5
300.02744	57.2
301.03159	4.4
314.04306	28.8
315.05103	25.2
316.05307	1.6
417.25125	2.6
561.12366	4.9
579.13501	100.0
579.22412	5.8
579.30402	3.2
580.13666	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25050	5.1
53.21029	5.0
54.42263	6.0
57.21267	4.2
69.06358	35.0
69.06776	11.2
75.55794	4.5
81.03449	6.1
109.02980	28.5
123.04530	18.6
125.02428	26.7
125.12839	5.5
137.02434	16.6
140.77493	4.9
141.49750	5.0
159.04538	5.7
187.03990	5.2
195.08669	5.0
203.07124	12.8
205.04999	10.3
240.36324	5.0
245.08144	14.7
274.70010	4.8
284.03302	6.0
289.07224	100.0
290.07532	10.1
375.77451	5.3
455.68173	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30328	3.3
57.03449	17.2
59.01384	20.9
70.13605	3.9
70.23299	7.1
70.23696	8.9
71.01385	12.1
81.03502	5.0
83.01420	8.3
89.02450	15.0
95.05001	4.3
97.02993	7.3
101.02465	11.1
109.02976	27.0
120.05407	3.6
121.03058	5.2
123.04522	20.1
124.04913	5.9
125.02458	100.0
126.02805	33.5
127.02936	6.2
131.03528	8.5
137.02432	24.8
138.02820	8.3
149.02530	5.1
149.04605	10.7
150.03241	6.0
151.04042	17.9
161.02484	13.8
161.06190	5.3
162.02827	6.9
163.04111	4.0
164.01202	4.3
179.03522	7.9
187.04033	9.8
188.04808	3.7
191.05602	9.5
203.07159	11.9
204.99277	4.1
205.05066	10.3
217.05081	4.6
231.05965	4.4
245.08147	15.2
246.08488	4.0
269.04578	7.2
284.02878	4.2
289.07193	89.3
290.07544	23.1
291.07672	20.2
369.76651	4.0
387.20343	4.7
407.07718	6.3
408.07816	8.6
409.08261	26.2
426.09433	4.9
427.09396	10.7
514.14746	3.7
519.25037	6.3
579.14050	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07175	0.1
54.17610	0.1
57.03410	0.4
59.01381	1.8
63.02390	1.0
65.00322	2.9
66.00644	0.2
69.03355	0.6
69.03770	0.6
71.01392	1.5
72.99284	0.4
73.02944	1.5
81.03428	0.3
83.01392	1.4
83.04996	0.2
85.02940	0.9
86.00073	0.3
87.00864	1.5
87.04480	0.4
89.02403	0.6
93.03432	0.3
95.01354	0.5
99.04475	0.2
101.02407	0.5
103.03960	0.4
105.03408	0.1
107.01396	4.3
108.02174	0.2
109.02911	0.2
111.00866	0.3
113.02425	0.4
115.04015	0.7
117.02683	0.2
117.03465	3.7
119.03489	0.2
119.04997	0.4
123.00839	0.3
123.04496	0.2
124.01666	1.7
125.02448	1.7
127.04044	0.2
131.03519	1.1
131.04987	0.2
133.02950	0.3
134.03697	0.5
135.04559	0.7
139.00348	0.2
143.03528	1.0
145.05096	0.3
149.02385	0.8
151.00377	12.8
152.01164	6.7
155.05020	0.4
157.06537	0.2
159.04503	0.5
161.02388	0.3
163.06067	0.5
167.05011	0.2
169.01437	0.2
169.06595	1.0
171.04541	0.2
172.05214	0.2
173.06062	0.5
175.04002	0.2
178.99872	5.0
180.00375	0.3
180.05803	0.4
180.83269	0.2
181.06538	0.8
182.03751	0.2
183.04468	0.6
188.77043	0.1
196.05281	0.6
197.06104	1.1
199.03947	0.4
201.05611	0.5
205.07109	1.1
213.05446	0.2
215.07172	0.2
224.04855	0.4
225.05545	3.3
226.06055	0.2
227.03459	0.6
240.04234	0.2
241.05035	0.5
242.05879	0.2
243.02953	0.3
243.06676	0.3
255.03069	0.7
258.50037	0.1
259.06149	2.4
268.04211	0.2
269.04553	100.0
270.04886	4.9
271.02533	0.6
284.03442	0.3
285.04089	0.7
286.04858	0.5
287.05643	0.8
300.02704	1.3
301.03461	0.3
303.04077	0.2
304.04477	0.2
387.20654	0.2
415.84518	0.1
437.23416	0.1
469.22534	0.1
561.13257	0.1
579.17310	12.7
580.17688	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1728
Annotation	Isosakuranetin 7-alpha-L-arabinofuranosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
59.01381	2.5
63.02380	1.3
65.00332	4.1
69.05428	3.6
70.71381	0.4
71.01347	1.3
72.99301	0.6
73.02912	1.9
81.78786	0.4
83.01362	1.9
85.02937	1.0
87.00845	2.0
87.01331	0.5
87.04476	0.7
89.02431	0.9
93.03444	0.7
95.01375	0.8
107.01405	4.9
115.03973	0.8
117.03461	4.0
119.05011	0.9
123.00877	0.4
124.01669	2.8
125.02512	3.0
131.03514	1.1
132.56886	0.4
134.03767	0.9
135.04520	0.9
143.03485	1.4
149.02431	0.8
149.79330	0.5
150.99188	0.8
151.00374	14.3
152.01173	6.8
155.05026	0.8
159.04521	0.5
163.06068	0.6
169.06564	1.1
173.06029	0.8
178.99866	6.1
181.06599	1.3
182.03703	0.7
183.04530	0.5
183.16768	0.4
196.05290	0.5
197.06094	1.7
199.03864	0.5
201.05557	1.0
205.07155	1.0
213.05548	0.5
224.04880	0.7
225.05614	4.1
227.03595	2.5
229.05086	0.5
241.04973	0.5
243.06418	0.5
255.03008	2.1
259.06158	3.5
260.06351	1.1
269.04572	100.0
270.04922	6.1
271.02481	1.1
271.05069	1.0
284.03281	1.7
285.04053	7.2
286.04596	0.7
287.05643	2.5
288.05997	1.1
289.06161	1.2
300.02808	1.4
371.08917	0.6
429.66650	0.5
561.11963	0.9
579.17352	16.9
579.26819	0.8
580.17798	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	2.2
57.82198	2.1
59.01385	100.0
59.10717	2.1
60.28148	1.9
61.98835	10.6
63.25851	2.0
66.62703	2.4
69.07047	2.0
69.11701	18.9
78.95914	4.8
82.95415	19.8
83.05019	3.6
96.67471	2.2
98.21800	4.8
121.02968	97.7
152.99567	3.3
187.37723	2.5
199.03857	3.0
199.29829	2.2
226.02695	3.1
237.96751	2.4
241.01265	3.8
257.04620	3.0
259.06104	3.7
265.05112	3.5
270.01819	4.0
279.06580	3.8
285.03693	2.7
293.04684	13.9
301.03610	5.9
307.06146	5.1
308.06943	5.4
315.04895	3.0
316.05991	4.3
325.07117	6.4
335.05627	2.9
353.06702	8.4
365.10522	2.8
367.08368	7.3
368.09204	5.2
382.10590	3.4
383.11472	14.7
397.12985	6.4
400.11722	2.9
412.11661	2.3
415.14023	63.7
416.14407	4.5
442.12552	2.8
457.15067	78.0
458.15549	5.6
601.84723	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79305	0.6
59.01380	9.6
61.98827	1.4
66.45086	0.7
70.58847	1.4
74.65804	0.7
82.62383	0.8
84.65276	0.7
89.10967	0.7
90.22063	0.8
99.92568	0.7
100.13245	0.6
102.13253	0.6
121.02966	100.0
122.03322	3.3
129.28441	0.7
201.48776	0.7
265.05099	1.4
279.03287	0.9
291.23987	0.8
293.04581	2.1
299.05920	0.8
307.06094	0.9
308.06775	1.2
323.09335	1.3
335.05460	1.1
339.08685	1.2
367.08157	4.9
370.19122	0.8
382.10501	1.6
383.11581	3.7
397.13019	5.6
457.14996	5.1
519.16663	8.9
533.68427	0.8
552.89221	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.201
Annotation	Unknow
Peak:m/z	Relative Intensity
68.12883	7.1
72.99322	68.2
73.09439	7.0
97.02952	10.3
98.22623	16.1
134.45790	7.5
137.06110	20.3
236.90804	8.2
302.74896	9.3
429.85437	7.9
433.20285	67.1
434.20398	10.1
451.21326	100.0
463.21182	9.2
481.22476	20.4
483.79999	9.7
489.18350	7.9
507.20184	54.1
508.20361	11.2
525.21472	73.2
543.22443	94.0
544.23010	13.6
579.20166	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74929	15.5
61.98823	17.6
66.22964	10.8
68.28471	12.0
70.32962	15.3
70.33317	24.7
72.99324	34.9
77.68771	11.0
81.53742	9.6
97.02946	21.0
105.86496	10.5
107.75000	10.4
137.06120	18.1
161.51788	10.5
229.08698	13.3
407.18518	13.8
433.16107	14.6
451.17126	25.0
463.21216	40.4
525.21460	13.1
543.22406	100.0
579.19989	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	72.9
61.98827	90.2
65.59505	11.8
69.02993	100.0
72.99323	15.5
86.46957	10.0
113.71311	11.5
148.05254	17.9
162.83888	28.2
163.07620	26.3
173.54597	11.4
337.34836	12.5
543.22491	18.2
579.19958	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11248	4.7
57.30412	5.3
59.01389	100.0
66.36666	4.5
69.74128	5.6
71.01380	24.0
73.02933	9.9
85.02979	12.3
88.15453	5.4
89.02442	14.5
97.02960	5.4
101.02486	24.3
103.31095	6.1
113.02448	18.3
137.06100	7.6
161.04550	20.1
191.10728	5.6
284.21912	5.7
320.75516	6.1
351.15710	5.7
407.18799	6.4
451.17734	19.9
463.21027	10.2
481.22321	7.8
498.48654	6.3
519.18475	11.9
525.21338	13.4
543.22260	34.5
544.22546	8.3
579.20520	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.201
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38886	1.0
59.01383	100.0
60.07292	0.9
61.98831	4.9
69.56628	4.3
71.01375	1.2
83.05050	1.3
93.07145	1.3
95.05059	1.7
97.01919	1.1
97.02962	5.5
97.06601	1.3
98.21859	1.9
101.02466	1.1
135.04573	1.4
137.06076	7.3
148.05319	23.4
149.05984	1.0
163.07660	31.5
203.10857	1.2
223.40965	1.1
270.41766	1.5
407.18701	2.5
543.22394	93.4
544.22528	10.0
579.20361	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25726	2.8
57.03446	6.9
59.01387	27.4
59.76175	3.1
61.98836	50.4
69.03469	4.8
69.21080	8.0
69.21492	15.8
71.01389	23.3
72.99314	19.9
73.02962	10.8
75.00870	5.4
81.03457	5.2
83.01404	3.4
83.05028	25.0
85.02964	22.1
87.00871	5.4
89.02451	13.1
93.03480	8.9
95.05028	5.9
97.03004	4.8
98.22124	11.7
99.00873	4.3
101.02447	15.5
107.05062	4.0
109.02979	12.0
109.06592	8.6
111.04522	10.4
113.02454	7.9
115.00368	4.7
119.05034	6.4
121.02996	4.8
121.06694	3.3
121.54029	3.2
123.04531	21.3
125.02480	4.5
125.06036	4.5
127.04010	13.3
133.06564	4.4
134.03632	2.9
135.04535	12.0
137.02394	3.7
137.06070	6.8
139.07646	3.3
141.05492	2.9
145.02962	4.5
147.04495	6.6
149.04572	3.5
150.66536	2.9
151.07634	4.4
153.05592	7.7
159.04538	3.5
161.02440	11.3
161.06114	3.2
162.03226	12.1
163.04037	32.6
165.05644	3.1
173.06088	5.8
175.03963	15.5
177.01920	4.5
189.05557	22.6
191.03462	5.7
191.05620	8.7
192.04289	6.3
194.02220	11.9
201.05608	6.4
203.07227	4.1
203.10802	3.1
205.08586	4.0
213.07562	3.7
215.07201	3.7
225.05600	3.2
229.12495	2.9
243.08624	5.3
249.14964	12.6
255.10291	9.4
261.11520	3.0
267.10410	5.1
271.02359	3.5
272.96405	2.9
273.11380	26.8
275.09256	4.7
285.11218	5.4
291.12198	3.5
299.09225	15.6
299.12598	3.7
300.03125	3.3
301.10669	4.5
315.12527	3.3
317.10291	52.7
318.10834	3.8
329.06467	6.5
329.09998	3.5
335.11453	23.6
343.11850	6.2
385.22299	4.2
386.22598	3.4
387.23102	3.5
388.23795	3.1
455.20276	4.6
471.19971	3.3
473.22079	4.1
499.19662	8.8
517.20465	5.4
519.31879	6.9
521.33057	3.7
525.17822	5.9
533.23730	6.2
543.18658	44.3
544.18890	4.1
561.19647	29.1
562.20129	6.4
579.21014	100.0
579.31305	5.6
579.34088	6.6
580.21051	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13835	0.6
53.75423	0.7
58.39403	0.7
59.01378	4.5
61.98820	2.6
69.25266	1.7
69.25677	4.2
71.01385	3.5
73.02943	1.7
74.22053	0.7
85.02943	1.7
89.02458	5.4
98.21773	1.5
99.00877	2.8
101.02456	2.5
113.02444	1.1
125.02451	2.6
131.03502	2.1
149.04526	3.5
151.00365	1.5
161.02357	0.8
191.05640	2.0
201.01949	0.7
209.11823	3.5
213.05548	1.1
228.00745	1.2
243.03015	1.4
255.03020	2.0
265.05338	0.9
268.07541	1.2
269.04544	7.7
270.04950	0.7
271.02441	2.5
281.04651	4.1
284.03400	0.8
295.06018	1.3
296.06940	18.9
297.07486	1.2
299.01770	1.8
300.02710	5.4
301.03409	0.7
311.09235	15.2
311.12662	1.2
312.06424	1.5
312.09778	2.2
322.04642	0.9
323.05615	1.0
324.10077	1.1
325.10699	4.0
326.11670	3.1
340.05911	27.6
341.06497	3.5
341.13959	1.8
342.10892	1.0
352.09641	1.0
353.06714	0.9
355.08252	33.3
356.08603	5.4
358.10663	3.3
369.09918	1.4
370.10571	39.7
371.11142	7.4
383.11407	2.7
385.12943	100.0
386.13248	9.3
397.62881	0.8
417.15598	16.8
418.15918	1.5
504.16110	0.7
579.13751	2.9
579.27655	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74995	1.3
50.78353	1.4
61.18370	1.4
65.92595	1.5
66.37067	1.4
70.86563	1.5
71.32142	2.5
78.95925	2.3
80.96517	6.1
96.96014	11.3
99.04527	100.0
100.04831	2.6
115.92106	1.6
122.69744	1.6
124.59699	1.5
137.91336	1.5
212.60835	1.8
240.92267	1.7
249.17743	1.6
579.28418	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23922	1.8
51.66163	1.7
52.13107	1.9
54.55735	2.0
59.01372	6.6
61.98521	4.0
61.98833	76.4
62.69241	2.4
63.17508	1.9
69.39222	9.4
69.39648	6.2
71.01374	6.1
72.99311	29.2
75.00893	2.2
82.95449	2.3
85.02956	4.2
87.48688	2.0
89.07494	2.1
93.59049	2.3
95.05077	2.2
97.02941	2.7
99.04471	2.5
109.06618	3.2
121.03030	2.0
121.06596	4.9
123.04544	2.0
133.02928	2.0
137.06093	6.3
151.07677	4.2
153.05594	2.9
168.20915	2.0
168.99083	2.1
177.01891	2.9
178.02670	4.6
198.11638	2.3
213.07710	3.0
255.02991	3.2
269.04572	2.5
271.02481	5.2
275.09210	4.0
284.03363	2.8
295.78055	2.4
300.02768	6.5
341.17416	2.7
424.70352	2.0
427.22910	3.0
525.25189	13.2
543.26007	100.0
544.26270	7.4
579.13696	5.6
579.24139	14.8
579.34949	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	11.1
59.81756	2.5
61.98835	72.9
64.75883	2.4
65.54374	2.5
69.00945	22.5
71.01408	5.6
71.32114	4.9
73.02924	4.3
85.02956	4.5
85.15496	2.6
87.00888	3.2
89.02441	5.7
97.81900	2.5
101.02467	4.3
139.07632	3.7
166.85565	2.5
191.05362	2.7
210.07608	2.7
225.09160	3.5
271.02441	3.7
300.02664	8.2
533.33173	5.1
543.26263	4.0
543.60895	3.0
579.14417	4.3
579.23499	100.0
580.23706	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79679	1.6
60.14756	2.0
61.38741	1.7
61.98833	10.5
62.27287	1.9
68.99002	1.8
78.91895	1.9
80.91693	22.5
82.95425	26.1
83.05042	2.1
87.00875	3.7
97.02963	5.6
97.06610	6.3
99.04536	5.5
107.05022	3.7
109.84630	1.8
121.02984	2.5
125.06092	25.8
139.07680	2.5
166.77536	2.0
342.19110	2.5
373.20184	5.5
393.24261	2.3
411.25388	10.2
437.27216	2.7
481.25995	12.1
483.23941	39.2
484.24512	5.0
525.24823	3.9
543.26080	100.0
544.26227	13.1
579.23724	47.2
580.23950	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.9
57.03439	9.0
59.01385	33.7
61.98828	8.4
63.02399	6.2
65.00317	6.3
66.46172	4.3
67.01889	3.4
69.02747	28.6
69.03157	11.1
69.03452	4.8
70.42417	4.4
71.01380	28.9
71.05020	4.7
72.99311	30.1
73.02953	16.2
75.00873	7.5
81.03474	7.7
83.01392	14.4
83.05020	5.4
85.02957	17.5
85.06551	3.8
87.00874	13.9
88.16773	4.3
89.02439	7.3
93.03477	5.8
95.01374	5.4
95.05006	11.0
97.02979	9.6
99.00864	4.9
99.04530	4.8
101.02450	11.8
107.01411	10.6
107.05016	6.2
109.02992	10.3
109.06586	45.0
113.02453	21.5
117.03477	5.4
119.05051	5.8
121.06547	11.4
122.03735	5.7
123.04542	10.8
123.08163	7.7
125.02452	16.7
125.06099	12.6
126.02778	6.1
129.05565	8.8
131.03554	5.3
135.04547	5.7
137.02461	8.3
137.06073	23.6
138.06956	4.0
139.07637	10.9
140.02705	4.0
143.03510	4.9
149.02444	4.4
149.06030	5.2
151.00400	26.7
151.07733	5.6
151.11279	4.9
152.01076	15.3
157.06641	6.0
159.04533	4.9
159.08070	4.5
161.09746	5.2
163.11269	12.9
165.01920	4.6
173.06033	4.4
175.07640	5.4
177.01912	4.7
177.09230	12.5
178.99852	15.4
179.03429	4.4
179.10802	45.6
183.08148	6.4
185.09738	6.0
187.07611	4.3
191.05594	15.3
191.10828	5.3
195.10178	6.9
197.06062	4.6
201.09171	9.7
211.04427	3.9
213.09134	7.0
214.09428	3.8
215.07123	4.9
215.10730	8.3
217.12238	4.9
223.09740	13.9
225.09253	10.1
227.03491	23.7
227.10730	14.2
229.05103	8.6
229.08803	7.1
231.13820	4.4
241.12300	7.3
243.10312	10.8
252.16217	4.3
255.03033	37.7
257.11929	11.5
259.06134	16.5
259.13361	13.1
260.06458	12.1
261.06680	9.0
267.13962	10.5
269.04547	100.0
270.04874	61.6
271.02505	7.2
271.05096	47.7
275.12714	5.2
284.03229	23.2
285.04044	81.2
286.04263	8.4
287.05463	13.0
288.05688	10.4
289.06665	21.1
300.02789	11.8
301.03165	5.1
341.06659	14.7
373.09143	5.2
387.20105	5.8
388.11072	4.1
389.21213	10.1
407.22348	18.4
417.15619	5.6
437.23434	5.5
451.21109	16.5
455.24243	5.4
469.22421	37.0
470.22525	6.5
473.24811	4.3
481.22198	19.3
487.23398	6.8
499.23349	27.8
517.24268	28.8
519.31616	5.1
525.21558	24.3
535.25031	7.0
543.22443	99.3
543.30743	3.7
544.22827	10.4
561.13696	11.7
561.23309	64.8
562.24152	7.8
579.15356	20.9
579.24261	61.4
580.14996	4.7
580.24097	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.1
57.86029	1.9
59.01386	10.3
69.03462	3.8
69.12553	16.8
69.12943	4.4
69.23888	2.0
71.01373	6.4
71.05046	2.0
72.99312	100.0
73.02946	3.7
81.03446	2.0
83.05040	2.2
85.02985	4.6
85.06618	3.8
87.00888	4.3
95.05046	5.7
97.03001	2.6
97.06602	4.1
98.84049	2.0
99.86537	2.1
107.05075	2.8
109.02967	2.0
109.06606	23.3
111.04536	3.7
113.02454	10.3
119.05072	3.4
121.06602	3.5
122.03773	2.1
123.04545	1.8
123.08188	6.5
124.05338	2.2
125.02420	2.0
125.06087	3.8
129.05586	3.0
135.04515	2.2
135.08125	2.0
135.23897	1.8
137.06108	6.8
137.09653	3.0
137.15955	2.0
138.06853	1.9
139.07666	5.4
141.01761	4.1
149.06041	4.0
149.09729	2.7
151.07660	3.5
151.11322	3.4
159.04497	1.9
161.09737	3.1
163.07645	3.3
163.11285	5.7
164.08324	2.2
165.09224	2.3
167.07179	2.9
168.28293	1.7
169.06551	2.4
173.06013	2.9
175.07703	3.1
177.09192	4.9
179.10770	33.9
187.07674	5.3
189.05605	2.7
189.09225	2.8
191.05614	3.4
191.10814	4.1
193.08887	2.5
193.12321	3.0
195.10297	3.9
199.07637	2.4
199.11290	2.3
203.10765	4.6
213.09215	3.8
213.11159	2.3
215.10800	8.7
217.12283	3.8
221.11801	2.6
223.09720	7.2
225.09186	3.1
227.10744	10.4
229.08678	3.1
241.12393	2.3
243.10254	10.0
245.11823	8.1
255.03117	4.6
255.10219	4.9
259.13458	7.8
267.13870	2.6
269.04550	4.5
273.11316	4.2
277.14694	3.4
283.13339	2.4
284.03409	3.2
285.04022	8.6
285.14990	3.1
317.10406	4.7
389.21228	5.1
391.76892	2.0
407.22171	11.2
419.21960	2.5
425.23544	6.3
437.23233	3.8
451.21286	22.1
464.21317	2.1
469.22305	90.8
470.22894	8.6
481.22418	10.6
487.23517	32.4
488.23822	3.5
499.23422	13.6
505.24414	9.2
517.24500	6.1
525.21423	12.3
543.22412	53.1
544.22876	7.5
561.23315	40.1
562.23248	4.8
579.24518	45.7
579.33575	3.8
580.24908	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36206	1.1
59.01382	100.0
59.56656	1.3
60.01707	1.6
61.98836	10.5
69.79425	1.1
70.50089	2.9
70.50434	1.6
71.01349	1.6
78.37166	1.2
81.38475	1.4
86.92940	1.2
94.65793	1.2
107.05074	1.6
126.86916	1.2
148.05298	24.9
161.04597	1.5
163.07655	24.4
168.71266	1.3
238.94814	1.2
337.70801	1.3
381.23358	1.3
541.20807	3.6
560.11670	1.5
579.24316	5.0
583.88470	1.4
600.43591	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01708	0.5
61.98838	3.2
70.14524	1.1
70.14849	0.7
71.01395	1.0
85.02979	0.8
97.03008	0.8
101.02463	0.7
113.02495	0.8
137.02486	0.6
137.06136	1.1
140.67519	0.5
148.05322	25.4
149.05754	0.6
161.04480	0.6
163.07668	23.3
164.08121	0.7
543.22369	18.8
544.22748	2.6
544.92853	0.5
554.02759	0.5
579.20093	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	8.2
59.01378	100.0
69.03439	13.5
69.31082	14.9
69.31487	32.0
71.01391	66.1
71.25880	6.8
72.99306	23.2
73.02943	22.7
83.01379	9.5
83.05025	11.6
85.02951	25.5
85.06586	12.6
87.00874	24.8
89.02460	65.2
93.03459	8.4
95.05015	7.9
97.02956	19.6
97.06596	10.8
99.00862	9.7
101.02444	46.2
107.05007	16.3
109.03004	8.8
109.06603	75.3
111.04497	9.8
113.02442	44.5
113.06173	8.5
117.50574	7.9
119.03478	10.0
121.02930	8.0
121.06610	21.6
122.03671	8.6
123.04531	9.5
123.08170	11.9
125.02451	27.2
125.06087	19.5
131.03505	27.8
137.06082	23.7
139.07623	19.2
149.04538	40.9
149.05869	8.3
151.00371	15.3
151.07686	11.8
161.04530	10.0
161.09784	11.4
163.07622	9.5
163.11316	14.2
165.09204	11.0
175.07631	9.7
177.09201	15.4
178.99907	8.9
179.05678	10.1
179.10815	70.0
187.07631	8.4
191.05707	35.7
191.10791	13.2
193.12379	7.2
195.10223	6.6
199.07755	9.2
201.09164	14.9
202.09995	8.8
203.10858	6.1
215.10739	10.1
217.12325	74.2
223.09702	18.6
225.11295	8.4
233.11737	12.0
235.13448	10.3
239.10646	10.0
241.12242	9.0
243.02884	7.9
255.03009	17.5
255.10344	10.8
256.03241	9.0
257.11841	20.5
259.13330	11.5
261.11295	10.7
269.04639	34.3
270.04886	12.4
271.02515	19.7
271.05212	12.3
285.04108	33.1
293.08585	10.1
300.02753	28.2
301.03549	40.5
302.03543	36.8
303.04214	30.7
309.42758	7.0
345.58942	6.6
384.50217	7.3
387.20349	37.9
407.22495	9.8
419.22006	15.7
437.23212	18.2
441.19376	8.3
451.21457	12.7
463.20944	14.0
469.22382	45.1
481.22101	41.5
482.23273	8.1
498.44202	7.6
499.23361	55.1
500.23563	9.9
517.24506	35.4
519.24432	21.0
525.21228	46.1
535.24359	15.0
543.22406	88.7
544.23035	7.8
561.23309	63.2
579.13800	13.8
579.23816	98.1
580.24573	10.3
604.23767	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	7.7
58.00589	2.7
59.01099	3.9
59.01382	70.3
61.87141	2.7
69.45361	13.0
69.45766	4.4
71.01383	74.3
71.05004	4.2
73.02953	15.9
83.01386	6.2
85.02955	23.8
89.02454	46.4
95.01398	4.1
97.02980	5.0
99.00879	8.9
101.02449	36.9
113.02448	23.4
119.03500	8.2
125.02453	15.0
131.03502	17.2
138.06853	21.2
143.03485	6.6
149.04514	10.4
153.09227	64.5
159.02966	4.4
161.04562	32.1
179.05621	3.5
191.05594	6.7
207.13847	6.4
225.14978	91.3
226.15361	4.8
233.06734	4.4
244.21106	3.0
291.78262	2.4
293.08807	5.3
297.40494	3.2
387.20251	100.0
388.20538	9.8
515.93964	3.2
519.24487	76.9
520.24731	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52159	0.8
54.40765	1.0
55.01883	3.1
56.22184	0.9
57.03445	3.6
58.00585	2.1
59.01384	54.3
61.98837	1.9
65.00323	3.2
69.33099	6.0
71.01387	49.3
72.99315	2.0
73.02953	14.0
83.01389	9.0
85.02959	19.6
87.00883	3.1
89.02457	24.9
95.01401	3.6
96.96036	2.5
97.02971	1.8
99.00868	6.8
101.02454	38.8
101.03128	2.0
106.72183	1.0
107.01405	3.4
111.00874	2.1
112.98852	1.0
113.02457	20.6
116.45012	0.9
119.03518	7.2
119.05001	0.9
123.04564	2.2
124.01662	1.1
124.84837	0.9
125.02461	5.5
125.06078	2.1
131.03513	15.9
143.03516	3.1
143.07114	2.9
149.02498	1.2
149.04562	6.2
150.03252	5.3
151.00383	15.9
151.04041	2.3
152.01047	0.9
159.03003	2.5
161.04561	26.7
165.05589	3.3
178.99847	1.2
179.05672	2.7
191.05629	4.2
229.05209	1.0
233.06898	1.4
240.64951	0.9
271.06110	2.1
285.04028	11.7
286.04547	1.7
293.08762	1.2
303.05121	2.0
337.09229	1.3
387.20261	100.0
388.20596	6.9
431.19208	2.7
519.24536	45.8
520.24725	5.3
528.72461	1.0
535.35339	4.9
579.13489	1.8
579.29266	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.5
57.03462	3.1
58.00593	1.3
59.01387	38.3
60.99345	1.1
61.98840	12.3
63.02422	1.4
65.00317	4.0
71.01389	28.6
71.30078	2.3
72.99327	3.3
73.02961	6.4
83.01379	4.3
85.02970	8.5
87.00862	2.3
88.98792	4.1
89.01905	1.6
89.02452	27.6
93.03471	1.8
95.01383	2.9
96.96063	1.4
99.00893	2.7
101.02451	20.9
107.01367	4.7
109.82130	1.2
110.98857	1.4
111.00859	1.9
113.02470	9.4
117.03476	4.3
119.03499	4.0
119.04983	1.3
124.01668	1.8
125.02460	6.7
126.02772	1.4
131.03499	15.8
134.03766	1.4
143.03506	2.6
149.02512	2.4
149.04572	15.8
150.03238	2.0
151.00397	11.9
152.01147	7.2
152.08528	1.5
152.45784	1.3
161.04530	3.6
165.01991	1.5
165.05598	2.7
169.06413	1.5
177.02051	1.2
178.99826	5.0
191.05606	11.0
192.05957	1.4
196.05339	1.3
197.06090	2.3
199.41501	1.1
205.07190	1.4
207.13951	1.2
225.05511	3.4
225.14952	1.4
259.06110	2.5
269.04553	100.0
270.04877	6.8
285.03995	1.3
289.07291	2.2
365.86224	1.2
387.20294	35.3
388.20627	1.6
509.08264	1.4
519.24524	26.6
520.24609	2.5
579.17334	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56301	2.4
57.03466	3.1
59.01390	6.4
61.98836	70.0
71.31445	4.2
82.32771	2.7
82.95428	14.3
84.00898	5.6
84.94614	3.7
84.95129	71.7
85.00442	100.0
89.62869	2.5
93.03479	4.3
133.02907	5.0
178.02756	9.4
191.05612	3.6
259.61597	3.1
275.09454	6.0
312.69839	2.9
348.97467	2.9
517.65515	3.2
541.21075	5.5
579.24414	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52291	5.0
54.96533	4.8
57.78823	4.5
58.15874	5.2
59.01363	6.1
61.98826	27.4
69.00945	16.3
79.15430	5.2
82.95382	9.7
84.95119	47.2
85.00441	100.0
113.50169	6.0
121.02970	11.2
121.75981	5.3
137.02441	6.3
140.18153	5.0
155.10719	5.8
159.00468	5.1
181.08859	5.9
219.29791	6.0
300.02567	10.2
485.25500	6.5
497.28931	6.4
516.30530	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98297	1.2
57.63812	1.2
58.28921	1.3
61.25528	1.2
62.00774	1.4
63.96237	1.7
71.01382	8.7
73.02937	2.1
78.95910	2.7
78.98602	7.0
79.95747	12.9
80.96523	80.8
84.65842	1.3
85.02969	3.5
87.00876	3.2
94.98095	19.6
96.95993	2.8
99.00890	1.6
101.02454	3.6
106.98127	3.3
114.25933	1.4
115.92064	4.3
122.97603	7.7
125.02421	5.7
134.97577	5.3
136.99142	1.7
139.04066	1.8
148.99139	9.2
152.98645	12.1
164.98625	15.4
182.99712	2.6
206.54991	1.5
206.99675	4.3
210.96046	1.4
225.00716	18.2
279.23370	4.3
281.24915	1.5
299.04514	4.9
343.27118	1.6
452.54578	1.5
469.76059	1.3
579.28424	100.0
580.28754	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
59.76143	1.0
61.98815	1.0
62.85450	0.8
63.96223	1.2
64.75501	0.8
70.33626	1.0
70.33947	1.4
71.01391	8.0
73.02949	1.3
78.34348	1.1
78.98592	5.8
79.95733	9.9
80.96520	69.4
81.03472	1.0
85.02945	3.4
87.00868	2.9
94.98096	15.4
101.01707	0.8
101.02422	3.4
106.98102	3.3
113.02477	1.0
115.92082	2.4
122.97611	5.3
125.02459	4.5
134.97563	3.7
148.99124	4.9
152.98596	9.3
164.98615	11.0
182.99707	3.0
190.17838	0.8
206.99701	3.5
225.00710	17.6
243.01820	2.1
279.23355	3.5
299.04391	3.4
323.10059	0.9
447.09680	1.0
487.04800	1.0
579.28448	100.0
580.28748	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	10.3
59.01382	67.6
59.98500	2.5
61.98825	9.7
67.99252	2.2
69.08468	4.6
69.08793	22.9
78.91879	3.8
80.91688	66.1
83.05016	5.8
90.24159	2.1
98.13213	2.3
98.22641	4.0
99.00651	41.8
99.04533	3.9
99.92605	4.2
111.04529	2.4
115.92091	6.8
138.06915	15.1
139.03772	6.2
142.99664	7.0
166.03395	2.5
169.83357	2.3
171.11862	2.5
186.54085	2.2
194.23557	2.8
201.91116	2.1
221.79002	2.6
239.18053	2.5
300.02975	3.8
317.07022	2.4
333.25970	7.1
377.24884	95.9
378.25067	13.2
395.25775	3.1
399.23077	33.7
400.23505	5.0
413.21167	4.1
431.22125	11.2
453.30099	100.0
454.30301	12.5
459.25104	15.4
461.21759	17.7
475.28400	21.3
476.28506	4.0
503.22968	2.3
519.27374	7.0
579.14142	2.8
579.29303	15.4
580.21454	3.7
597.96033	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.6
61.98834	100.0
71.58575	3.9
78.95917	4.7
87.00869	4.5
102.80737	4.6
134.03760	7.6
139.07640	6.1
173.36775	4.3
178.02769	7.8
209.11844	7.4
269.39468	4.9
274.44547	6.0
274.47501	5.2
300.02936	8.0
400.79492	5.2
543.25989	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71564	3.6
55.25161	4.3
59.01380	5.9
59.40007	3.8
61.98841	100.0
71.01392	8.4
85.02964	7.0
86.49567	5.0
89.02446	8.5
93.03474	16.7
98.22535	8.8
109.02949	11.3
111.87357	3.9
123.04554	24.9
125.02427	6.0
128.31500	4.2
135.04593	8.1
137.02380	6.0
145.02986	7.6
151.04028	11.1
173.04680	6.6
173.06122	4.7
177.01978	7.7
180.07970	15.3
191.05603	7.0
195.10286	7.2
208.07510	4.9
217.01384	4.1
223.09790	33.5
229.60017	4.9
243.02988	6.5
251.16594	7.4
269.04620	9.4
281.04623	4.5
300.02737	7.0
307.06082	5.4
308.07098	5.1
323.05609	12.0
341.06787	13.0
393.06345	20.2
459.14526	13.6
462.16849	11.3
471.14685	8.3
474.17087	11.3
477.19193	21.4
486.16132	4.5
487.10507	80.4
489.19073	28.2
501.19174	14.4
507.20404	15.5
519.20502	23.8
534.30249	4.8
580.14368	8.9
580.29633	5.4
581.14752	39.1
581.29987	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71564	3.6
55.25161	4.3
59.01380	5.9
59.40007	3.8
61.98841	100.0
71.01392	8.4
85.02964	7.0
86.49567	5.0
89.02446	8.5
93.03474	16.7
98.22535	8.8
109.02949	11.3
111.87357	3.9
123.04554	24.9
125.02427	6.0
128.31500	4.2
135.04593	8.1
137.02380	6.0
145.02986	7.6
151.04028	11.1
173.04680	6.6
173.06122	4.7
177.01978	7.7
180.07970	15.3
191.05603	7.0
195.10286	7.2
208.07510	4.9
217.01384	4.1
223.09790	33.5
229.60017	4.9
243.02988	6.5
251.16594	7.4
269.04620	9.4
281.04623	4.5
300.02737	7.0
307.06082	5.4
308.07098	5.1
323.05609	12.0
341.06787	13.0
393.06345	20.2
459.14526	13.6
462.16849	11.3
471.14685	8.3
474.17087	11.3
477.19193	21.4
486.16132	4.5
487.10507	80.4
489.19073	28.2
501.19174	14.4
507.20404	15.5
519.20502	23.8
534.30249	4.8
580.14368	8.9
580.29633	5.4
581.14752	39.1
581.29987	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35275	0.2
59.01368	0.3
61.98836	100.0
65.65556	0.2
68.99933	0.4
69.00330	2.2
72.87143	0.2
77.80718	0.3
85.02972	0.2
98.22002	1.1
177.58417	0.2
202.74394	0.2
221.20087	0.3
226.21008	0.2
237.19449	0.3
280.86649	0.3
322.87137	0.2
389.19885	0.3
415.66193	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73360	15.4
61.98835	100.0
82.52531	15.4
98.22588	26.7
111.29710	15.1
122.27496	15.2
136.45673	16.9
215.69627	15.9
225.88423	17.1
376.12863	20.1
408.46890	17.9
413.54166	17.6
465.10693	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17360	1.2
59.01388	13.7
61.98830	12.8
66.84727	1.3
69.66814	5.9
76.18139	1.3
78.95923	5.3
79.95744	2.2
80.96523	12.3
85.00438	6.0
87.00880	1.2
94.98100	3.0
98.22552	2.0
141.53844	1.3
152.98582	2.2
168.04347	1.9
225.00775	2.1
242.08011	1.9
244.81323	1.4
281.24887	100.0
282.25235	8.1
290.93372	1.3
336.21323	1.6
413.87585	1.3
445.67175	1.5
506.32535	22.8
507.32806	2.6
580.28790	19.8
581.28815	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1516
Annotation	5,7,3',4'-Tetrahydroxyflavanone 7-alpha-L-arabinofuranosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
51.70714	0.3
55.01872	0.6
57.03434	1.2
58.00598	0.4
59.01101	0.7
59.01386	11.8
61.98833	6.2
63.02388	1.0
65.00317	2.7
69.44510	0.8
69.44912	1.7
71.01385	14.5
72.99300	0.6
73.02946	3.4
75.00826	0.4
83.01391	3.1
85.02948	5.1
87.00874	1.5
89.02451	7.2
93.46764	0.3
95.01396	1.2
97.02975	0.4
98.22673	0.4
99.00893	1.8
101.02444	9.2
105.80003	0.4
107.01405	4.0
109.02921	0.4
111.00856	1.4
113.02460	5.2
114.12130	0.3
117.03469	3.2
119.03499	1.1
119.05042	0.5
123.04465	0.4
124.01680	1.8
125.02447	3.0
129.02000	0.6
131.03503	5.2
131.05023	0.4
133.40057	0.3
135.04529	1.3
136.07510	0.3
137.02437	0.5
139.00421	0.4
143.03494	0.9
149.02477	0.8
149.04549	2.7
151.00375	11.7
151.03854	0.4
152.01167	7.3
153.01518	0.4
159.04463	0.4
161.02483	0.5
161.04535	3.6
165.01884	0.5
165.05656	0.4
169.01439	0.4
169.06578	0.9
173.04523	0.4
173.06076	0.5
178.99852	5.5
179.05696	0.7
180.05745	0.5
181.06612	0.7
182.03758	0.3
183.04524	0.5
191.05602	3.2
195.06548	0.4
196.05296	0.8
197.06094	0.8
201.05522	0.6
215.11885	0.6
225.05533	3.4
227.03514	0.5
227.16495	0.6
233.06694	0.6
241.05075	0.8
243.06532	0.5
259.06113	1.4
267.07755	0.4
269.04553	100.0
270.04865	6.6
286.04941	0.6
287.05582	0.5
293.08798	1.1
305.04691	0.4
340.68610	0.4
389.21780	19.7
390.22290	0.7
419.10980	2.4
421.16348	0.4
447.14139	0.5
517.14606	0.5
521.26019	12.7
522.26385	1.2
581.15106	13.0
582.15424	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1514
Annotation	5,7,3',4'-Tetrahydroxyflavanone 7-alpha-L-arabinofuranosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
59.01138	1.1
59.01384	15.4
61.98818	2.9
63.02400	1.6
65.00331	17.5
69.16901	11.3
71.01385	8.7
72.29988	1.1
73.02960	1.6
78.12894	1.1
83.01389	8.6
85.02965	1.9
86.89223	1.1
88.98824	1.8
89.02460	8.5
98.21814	2.3
101.02454	6.9
101.71462	1.1
107.01400	24.4
109.02909	1.8
113.02434	2.4
116.92860	1.9
118.64701	1.1
119.03489	1.4
120.69391	1.1
122.03773	1.2
123.00939	1.3
123.04528	1.7
124.01707	4.5
124.05556	1.2
125.02457	10.0
131.03529	6.6
133.02953	3.5
134.03780	2.1
135.04507	4.4
139.00360	1.2
149.02522	1.5
149.04549	7.0
150.03253	19.5
151.00381	100.0
151.03976	5.6
152.01193	19.3
153.01871	1.3
159.04459	1.5
169.01349	1.9
175.03938	2.6
178.99872	34.6
187.03976	1.3
191.05547	6.1
193.05055	1.4
199.03981	3.4
201.05440	1.3
205.05002	1.5
215.03566	1.5
227.03647	1.6
227.07104	1.9
241.04944	1.3
242.02303	1.9
243.03130	2.9
257.04565	2.4
258.01770	1.8
259.06091	5.3
269.04559	23.3
270.04816	1.7
271.02432	5.9
272.03253	3.3
273.04071	7.8
285.04080	62.2
286.04416	5.7
287.05634	8.9
299.01996	7.3
302.04437	6.4
316.02298	3.4
317.02957	2.1
324.06357	7.1
339.08829	5.7
354.11050	3.5
357.09830	3.8
368.50952	1.3
372.12146	4.0
377.77173	1.2
387.14590	15.5
388.14407	1.2
389.21777	3.2
404.15100	1.6
419.17142	18.0
429.14044	4.1
455.12039	3.7
521.26337	6.0
563.13873	2.3
581.15350	29.5
582.15436	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34875	1.0
57.03454	1.7
59.01385	18.2
59.53561	1.0
67.28208	1.1
67.80281	1.1
69.47845	7.1
71.01392	6.2
73.02970	1.4
77.53487	1.0
85.02953	3.2
89.02472	4.0
92.24165	1.1
95.01382	2.6
96.95994	1.8
98.22266	3.1
101.02449	3.0
109.59763	1.2
113.02479	3.8
117.89934	1.1
123.00902	17.9
123.04629	1.1
125.02467	2.0
131.03545	1.1
137.02454	3.4
138.02249	2.3
138.03242	33.3
151.04085	1.1
152.01173	1.1
153.05582	12.6
166.99881	7.5
168.54237	1.0
173.04649	1.5
178.33821	1.2
181.01454	3.9
182.00624	1.5
182.02220	30.0
191.05630	1.3
196.03772	1.9
197.04573	100.0
198.04898	4.3
211.06247	2.0
224.03271	2.4
239.05618	15.8
269.06842	2.3
299.07837	2.9
359.09845	62.0
360.10104	3.1
558.06006	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1827
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
50.55204	1.1
62.57748	1.2
70.64562	2.6
71.01376	2.9
78.95910	100.0
80.97422	1.3
94.87146	1.0
96.96979	4.8
99.92590	9.6
100.93350	2.6
115.92091	34.1
116.92171	1.8
116.92873	28.5
116.93510	0.8
117.92770	1.3
120.97015	1.5
131.05109	1.1
142.94388	1.5
150.98029	3.4
152.99591	25.0
155.66483	1.1
163.89665	1.6
164.90530	2.4
171.00633	15.1
171.58957	1.2
172.95461	8.0
178.88464	15.4
178.91992	1.5
179.89238	35.9
180.90025	26.2
181.90948	2.6
194.87906	3.4
196.89500	46.0
197.89473	1.8
201.84888	1.5
205.90811	5.0
206.91534	2.5
208.89505	2.6
219.92459	2.1
221.90311	2.2
234.91043	3.3
235.91811	10.5
236.92615	30.3
252.92043	4.8
270.93182	2.8
276.95706	3.5
278.93665	6.0
281.24948	3.1
282.25403	1.7
290.63184	1.3
292.95291	4.8
309.95459	2.1
310.96365	9.3
416.94534	1.6
473.14124	7.6
490.14407	8.2
500.24390	1.3
506.32816	1.6
507.32745	2.6
533.15796	5.8
545.16187	7.0
563.17365	8.4
564.17767	2.5
580.51550	1.3
581.18268	78.3
582.18475	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23406	2.1
58.70716	2.1
63.99086	2.2
69.31358	13.5
69.31772	5.0
69.49284	2.3
78.95908	100.0
79.33009	2.8
96.95994	4.5
96.96980	3.3
98.95641	3.8
99.04524	15.9
99.92589	11.6
115.92096	36.9
116.92882	36.0
124.05185	2.2
134.98000	2.4
150.98036	5.6
152.99603	20.8
169.92265	2.4
171.00645	14.3
171.01953	2.2
172.95444	7.5
178.88431	9.6
179.89268	32.5
180.90021	22.3
194.87955	3.3
196.89523	49.3
205.90773	6.2
206.91576	2.8
208.89508	2.8
219.92255	2.6
235.91846	14.1
236.92639	32.4
245.04431	2.7
252.92090	2.6
270.93085	3.4
276.95651	2.8
278.93713	8.2
310.96286	10.4
326.95721	2.7
473.13895	7.5
490.14178	7.5
533.16235	5.2
545.16260	3.7
563.17365	6.9
581.18262	73.1
582.18451	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66324	1.4
55.01877	1.0
57.03457	2.3
58.00587	4.9
59.01381	63.2
61.98825	2.8
68.99821	1.7
69.18650	6.3
71.01387	36.1
72.99315	4.6
73.02956	1.9
74.50567	1.1
75.00871	2.8
81.03440	1.4
83.01386	2.1
84.34181	0.9
85.02947	8.3
87.00890	4.7
89.02452	37.8
93.03474	3.5
95.01391	3.9
97.02952	1.6
98.67014	0.9
101.02442	21.9
103.68989	1.0
105.69901	1.0
108.02172	5.0
109.02947	8.4
111.00864	2.0
113.02458	13.5
116.92879	6.4
119.03503	17.4
121.02952	3.8
122.03762	2.2
123.00907	3.9
123.04528	7.5
124.01624	2.1
125.02403	2.0
131.03543	2.4
132.02213	1.3
133.02954	2.4
134.03781	1.7
135.04550	1.9
136.01680	5.8
137.02466	7.1
137.06064	2.0
138.03270	5.2
139.04048	2.5
143.03487	1.2
145.02930	3.7
146.03746	1.4
147.04547	2.9
148.01657	9.3
149.02440	8.0
149.06026	1.2
150.03256	5.9
151.00383	4.6
151.04007	8.5
152.01205	1.3
152.04767	2.1
153.01974	1.8
153.05582	13.1
161.02446	5.8
161.04596	3.1
162.03217	5.2
163.00394	3.0
163.04030	28.1
164.01172	1.9
164.04785	4.3
165.01927	3.8
165.05577	3.4
166.02690	5.5
167.03496	1.4
173.02356	1.5
174.03165	1.7
175.04024	3.4
176.04753	1.5
177.01941	18.2
177.05602	5.1
178.02719	12.7
179.03508	5.2
179.05591	1.7
179.07118	2.1
180.04301	5.3
181.05118	6.3
189.05611	1.4
190.02774	1.3
191.03484	1.7
192.04242	6.2
193.01442	5.0
193.05072	23.5
194.05725	2.4
195.03065	2.5
195.06624	29.6
202.02753	1.6
203.03496	1.5
204.04366	1.5
207.06664	2.4
208.03760	3.9
209.04462	2.7
209.08237	1.3
210.05331	4.7
211.04301	1.3
211.06131	3.7
217.05139	2.3
223.06017	5.1
225.07695	34.9
227.07274	1.3
236.04655	1.1
237.05606	2.0
239.05617	1.5
240.04318	1.7
241.08655	1.2
247.06329	1.2
250.04961	1.3
252.04242	1.9
253.04987	2.2
254.05815	1.8
255.02986	1.4
255.06694	1.6
264.04358	2.0
265.05099	2.5
266.05814	2.4
267.06659	3.4
268.03757	5.7
269.04572	2.8
269.08002	1.2
270.05161	1.4
271.02466	2.9
272.02786	1.3
273.03003	2.4
279.06656	2.3
280.03836	2.6
281.04614	4.3
282.05362	7.0
283.06137	18.2
283.09430	1.7
284.06384	1.3
285.04257	1.3
285.07532	1.6
287.05246	1.5
293.04449	1.6
294.05289	2.1
295.06073	6.5
296.03610	1.4
296.06903	6.2
297.07642	11.5
298.05014	3.0
298.08496	9.8
299.05508	1.9
299.09009	2.2
300.02725	3.6
301.03168	3.8
302.03409	4.0
307.06046	1.5
309.07840	2.1
310.08411	6.5
311.05594	8.8
311.09286	6.6
312.06503	2.2
312.09924	9.9
313.07150	6.8
313.10736	2.6
314.11612	2.2
323.05612	3.7
325.07248	3.6
326.04233	2.2
326.07864	10.8
327.08746	1.6
327.12421	8.0
329.10309	2.2
329.13861	9.6
337.07330	2.0
338.07956	5.8
339.08783	1.5
340.09579	2.1
341.06635	9.7
341.10379	14.2
341.13983	3.3
342.11002	3.0
343.11880	2.0
353.10324	4.2
355.08310	5.9
356.09003	10.2
357.13315	1.7
359.11182	2.3
359.15155	2.0
368.09329	1.8
370.10562	10.3
371.07523	5.6
371.11420	51.7
372.11847	4.4
383.11438	2.9
386.10080	4.5
389.16348	2.4
389.21555	2.1
401.12415	100.0
402.12909	8.8
419.13467	33.3
420.13943	2.5
439.54846	1.0
521.26178	3.3
581.14142	5.3
581.25000	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59660	0.7
54.50757	0.5
57.03445	2.0
59.01370	2.4
61.98838	1.1
65.00316	1.7
69.40992	0.9
69.41394	3.0
71.01387	1.4
75.00870	1.0
81.03462	8.5
83.01385	3.5
84.78811	0.6
85.02969	1.0
89.02429	0.7
93.03471	5.5
95.05047	0.6
101.02470	0.7
107.01401	2.8
108.02232	0.7
116.92851	1.0
117.03509	0.6
119.05039	7.5
123.04539	28.7
125.02457	16.6
135.04495	2.9
137.02428	0.8
149.02379	1.4
151.00378	6.0
152.00905	0.8
167.03508	75.0
168.03836	1.9
178.99960	1.4
179.03517	7.2
189.05534	1.9
205.14046	0.7
209.04588	0.6
229.08815	0.9
243.03021	0.9
244.03304	0.6
255.02969	1.4
255.06726	0.7
256.03363	1.3
257.03488	1.2
259.06204	0.9
269.04568	8.1
270.04932	5.2
270.99722	0.6
271.02429	3.0
271.05188	4.2
272.02969	2.7
273.02963	3.4
273.07709	100.0
274.08069	5.7
287.05557	2.2
300.02795	6.4
301.03027	6.0
302.03369	6.7
373.12036	0.6
389.21985	1.0
419.16946	1.0
521.26123	1.0
581.18365	13.5
582.18683	1.8
608.97266	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99994	10.8
72.99311	2.8
89.02403	1.6
92.53168	1.5
93.03494	3.0
121.02980	6.7
122.03744	16.2
125.02406	1.5
134.03677	1.5
136.01578	1.6
137.06117	2.6
143.15170	1.5
147.04564	2.4
149.02449	20.2
150.03238	96.8
151.03796	1.5
164.04805	3.6
165.05583	100.0
165.23630	1.2
166.05966	2.2
175.04021	17.0
180.04289	6.9
188.04868	2.3
190.06352	5.1
195.06630	40.7
196.07011	1.8
199.76564	1.2
218.05815	6.3
222.05341	7.7
238.06236	1.4
265.04913	1.7
266.05737	3.0
278.05838	4.6
279.06622	1.8
281.04556	3.8
281.08261	1.7
294.05554	1.4
295.09848	1.6
306.05276	6.2
306.73984	1.3
307.06137	5.2
309.04227	2.9
309.07483	2.4
310.05023	2.1
320.07242	1.6
321.07739	16.7
322.05029	1.8
322.08466	4.9
323.05960	1.3
323.09247	6.9
324.06491	4.7
324.10001	3.7
325.07129	13.1
326.07892	2.4
335.09250	2.6
336.09979	6.9
336.43527	1.4
337.07190	10.5
337.10782	3.0
339.08710	9.9
340.09500	9.0
352.09641	4.4
354.11099	9.1
355.11884	27.8
356.12170	2.1
365.21677	1.2
367.11862	39.6
368.12207	2.4
378.97241	1.7
443.13330	2.5
459.07956	1.4
473.12561	2.4
483.16272	3.3
488.14816	1.8
503.17148	20.5
504.17346	2.1
515.17120	3.2
533.18188	24.9
534.18658	3.6
551.19202	14.5
581.20081	24.2
581.28424	2.0
582.20337	3.9
594.80914	1.4
602.85010	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
60.84523	0.7
61.98827	4.9
63.54136	0.7
69.01079	6.6
69.11087	0.6
82.24290	0.6
84.38492	0.7
98.62983	0.7
99.04528	100.0
100.04866	2.2
118.14257	0.6
137.02489	0.6
143.63754	0.6
225.05551	0.8
237.05627	1.1
241.01440	0.6
252.04604	0.6
253.04970	1.5
265.05103	1.2
267.06491	1.3
276.04306	0.7
277.05167	1.1
279.03101	0.9
279.06464	0.9
280.03641	0.7
281.04745	0.6
293.04605	1.1
294.05322	1.8
295.05914	0.9
297.07651	0.7
305.04480	0.9
305.24268	0.7
307.06061	1.2
308.03329	0.8
321.04141	1.5
322.04666	1.4
323.05673	3.9
327.08847	2.0
337.06882	0.7
338.07916	1.3
351.05121	5.3
351.08856	1.2
365.06830	0.8
366.07507	3.5
367.08237	2.9
381.09863	4.5
399.11029	2.1
481.15076	21.0
482.15469	2.4
483.75748	0.9
581.20172	12.0
582.20648	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43670	0.7
59.01385	8.6
61.04909	0.7
61.98826	1.7
67.01882	2.1
69.03457	0.8
69.23772	5.1
69.24171	1.8
71.01376	5.5
71.05004	0.7
73.02965	1.1
78.95985	0.8
81.03487	0.7
83.05037	1.3
85.02961	10.5
87.00886	5.6
89.02447	2.4
93.03460	18.7
97.02982	1.0
98.22498	1.5
99.43367	0.8
99.64653	0.8
101.02464	2.8
109.02971	3.1
109.06542	1.1
111.04547	2.7
113.02463	2.5
119.03542	0.8
122.52801	0.6
127.04024	2.8
131.03529	2.4
134.03764	1.5
137.02460	22.0
149.04575	0.9
155.03545	1.7
159.04588	1.4
164.04645	1.1
166.02716	1.5
173.04564	6.1
181.05093	1.3
187.04076	4.1
187.07544	0.8
188.04808	1.2
191.05623	100.0
191.36850	0.8
192.05963	3.4
197.06134	1.4
198.06767	1.0
202.06392	0.7
211.13464	0.8
212.46106	0.8
223.19716	0.8
225.14978	1.0
236.05287	0.8
246.35367	0.8
255.02682	0.7
299.16547	4.1
301.14761	0.9
304.59708	0.7
309.15030	4.9
317.17596	1.7
327.16010	11.8
328.16309	0.9
340.21661	0.8
345.17087	7.0
352.42072	0.8
359.13480	1.7
371.15021	5.4
373.25861	4.3
389.16675	1.6
389.21826	4.9
407.17264	1.2
419.16998	0.9
443.19269	19.1
444.19336	1.4
512.18951	0.8
521.26324	1.4
563.21460	2.5
581.22290	26.0
581.35706	3.0
582.22260	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2248
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
51.89919	2.1
55.01878	3.5
57.03448	4.2
59.01101	4.1
59.01384	72.6
61.98832	11.2
69.10933	17.1
69.91785	2.5
71.01043	2.9
71.01392	36.8
72.99272	2.6
73.02948	10.2
83.01388	9.4
85.02959	14.9
87.00888	4.0
89.02449	30.6
95.01385	3.9
99.00875	7.2
101.02454	33.8
108.38101	2.5
109.06587	4.0
113.02461	16.6
115.04003	3.9
116.92849	2.8
119.03533	11.4
123.00879	10.2
124.01659	3.7
125.02471	5.3
131.03511	9.3
138.03250	24.6
138.88121	2.2
139.03941	2.5
143.03497	5.6
149.04614	5.1
151.00394	6.3
153.05591	17.3
161.04550	9.2
175.03886	2.4
187.03944	5.8
191.05620	9.7
202.06396	4.7
203.07166	3.8
223.06046	3.1
233.08252	11.9
256.03723	3.7
271.06094	3.1
273.04086	2.4
287.05481	3.6
288.06512	3.9
303.08890	4.9
309.07700	2.3
311.05930	2.5
327.08685	3.4
340.09476	2.7
341.10464	4.9
344.08963	5.2
345.13416	2.7
355.11862	4.9
358.10532	8.1
359.11392	11.7
371.11441	8.8
371.20700	7.2
373.12842	16.8
374.13687	2.8
386.14001	3.3
389.12463	7.2
389.21729	21.1
401.16226	5.4
404.14825	10.2
405.15530	5.4
405.83893	3.0
419.17273	71.8
420.17444	6.7
479.76859	2.4
503.25345	2.9
521.25958	10.2
566.20007	7.9
581.22406	100.0
582.22742	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37817	0.5
58.07927	0.4
59.01382	100.0
61.98837	0.6
65.00321	1.1
71.01386	1.7
71.29699	0.6
83.01410	0.5
89.02483	0.5
95.70675	0.5
99.92603	0.7
101.02480	0.6
107.01411	1.5
114.67915	0.5
116.92870	4.1
121.02966	1.3
125.02474	0.7
128.90227	0.8
135.04576	0.8
142.71484	0.5
147.04475	0.8
150.03294	1.7
151.00375	8.0
151.03961	0.5
152.01170	0.7
165.69054	0.6
167.03569	0.7
168.44431	0.5
176.89557	0.5
178.99947	0.8
193.05020	0.6
199.04079	0.7
227.03598	0.6
240.68575	0.6
242.75951	0.5
255.03123	1.2
255.10298	1.1
256.03439	0.8
269.08228	8.0
271.02585	0.7
273.03345	0.7
281.08350	1.4
283.09833	3.5
284.03412	0.8
285.04028	6.4
286.04221	1.0
299.09271	5.0
300.02884	1.3
301.03320	1.2
302.03400	1.2
311.09241	10.0
311.12555	1.0
312.09744	0.6
314.11615	14.4
314.15076	1.1
315.12201	1.0
325.10956	1.4
326.11612	6.7
327.12137	0.6
329.13953	48.6
330.14322	3.3
341.13950	25.2
341.18240	1.1
342.14343	1.6
389.12036	0.8
389.16434	1.1
419.17352	2.1
521.26154	2.0
552.18066	0.6
581.15802	2.7
581.21814	3.2
582.15845	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43670	0.7
59.01385	8.6
61.04909	0.7
61.98826	1.7
67.01882	2.1
69.03457	0.8
69.23772	5.1
69.24171	1.8
71.01376	5.5
71.05004	0.7
73.02965	1.1
78.95985	0.8
81.03487	0.7
83.05037	1.3
85.02961	10.5
87.00886	5.6
89.02447	2.4
93.03460	18.7
97.02982	1.0
98.22498	1.5
99.43367	0.8
99.64653	0.8
101.02464	2.8
109.02971	3.1
109.06542	1.1
111.04547	2.7
113.02463	2.5
119.03542	0.8
122.52801	0.6
127.04024	2.8
131.03529	2.4
134.03764	1.5
137.02460	22.0
149.04575	0.9
155.03545	1.7
159.04588	1.4
164.04645	1.1
166.02716	1.5
173.04564	6.1
181.05093	1.3
187.04076	4.1
187.07544	0.8
188.04808	1.2
191.05623	100.0
191.36850	0.8
192.05963	3.4
197.06134	1.4
198.06767	1.0
202.06392	0.7
211.13464	0.8
212.46106	0.8
223.19716	0.8
225.14978	1.0
236.05287	0.8
246.35367	0.8
255.02682	0.7
299.16547	4.1
301.14761	0.9
304.59708	0.7
309.15030	4.9
317.17596	1.7
327.16010	11.8
328.16309	0.9
340.21661	0.8
345.17087	7.0
352.42072	0.8
359.13480	1.7
371.15021	5.4
373.25861	4.3
389.16675	1.6
389.21826	4.9
407.17264	1.2
419.16998	0.9
443.19269	19.1
444.19336	1.4
512.18951	0.8
521.26324	1.4
563.21460	2.5
581.22290	26.0
581.35706	3.0
582.22260	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.8
59.01386	32.3
61.98832	75.9
69.03461	5.4
69.04097	17.6
69.04520	11.6
71.01388	17.5
71.05030	3.5
72.99301	6.6
73.02950	5.5
75.00872	8.1
82.95438	6.0
83.01389	4.2
85.02944	12.5
87.00863	5.8
88.30375	2.6
89.02460	13.3
93.03478	9.8
97.02921	2.9
97.57764	3.0
98.21790	5.4
99.04507	9.4
101.02460	7.8
111.04534	3.3
112.40235	3.0
113.02448	4.6
123.04562	3.7
125.02439	3.3
137.02455	3.2
146.01833	3.0
147.04582	3.6
149.04555	5.2
151.03975	5.2
155.03572	3.5
173.04611	22.4
175.04037	4.5
175.07661	5.2
177.01891	3.4
177.05577	4.7
187.07599	3.0
191.05548	7.7
203.07224	6.6
204.07880	2.9
205.08755	2.9
211.13391	4.7
232.07437	8.8
247.09790	11.8
248.10529	6.3
251.16531	100.0
252.16852	5.8
315.49350	3.1
327.19672	3.2
329.06433	23.2
345.16998	4.4
363.21854	10.6
368.35519	2.8
389.16113	11.5
407.17087	6.5
455.84021	3.1
487.10269	11.4
545.25861	3.5
563.21484	4.2
581.23456	18.8
581.31036	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.8
60.99312	15.2
61.98840	9.8
87.00893	3.2
88.98816	100.0
89.02457	20.5
92.37442	0.9
97.02981	1.3
102.05428	1.0
103.53890	1.1
109.02974	1.6
118.69940	1.0
123.04507	1.2
137.02423	2.2
151.03979	1.4
192.22023	1.2
295.12543	1.1
361.16391	1.5
389.16467	1.0
505.09689	1.0
540.65009	1.1
543.22174	2.5
545.27783	2.2
581.27594	13.3
582.28870	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88908	2.0
61.98831	2.5
71.01386	3.1
71.33298	3.6
78.98591	3.4
79.95725	4.3
80.96528	35.5
85.94737	1.9
94.98103	9.6
96.96008	3.7
99.04530	100.0
122.42233	2.1
122.97552	2.4
125.02433	2.4
134.97612	3.7
148.99123	4.0
152.98665	3.0
164.98637	9.2
194.11983	2.6
225.00751	9.4
281.25006	3.0
299.04156	2.8
344.31158	2.1
381.13452	3.0
454.54007	2.3
481.18631	2.8
546.17865	2.5
566.61401	2.6
581.30029	62.0
582.30420	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.0
61.98835	14.2
69.03452	4.7
71.32072	2.6
72.99320	5.1
78.09565	2.5
83.01379	3.5
85.02958	4.0
87.00892	4.5
88.98824	2.7
96.10825	2.5
97.02968	7.9
99.04518	4.9
107.05167	2.6
108.56593	2.6
109.02248	2.3
109.02963	10.5
109.06615	5.8
111.04521	3.9
113.06081	19.8
120.27550	2.4
121.02982	8.7
122.03769	4.3
123.04562	8.3
125.02459	5.7
127.07696	5.6
137.02501	10.2
137.06172	3.3
139.07684	10.1
149.02498	6.8
151.03998	4.2
154.02789	2.7
161.02496	9.0
161.06136	2.8
163.04120	2.7
164.01180	4.7
165.01945	14.5
176.01178	3.2
177.01961	5.1
179.03560	4.0
191.03555	6.3
205.05167	6.1
243.06688	2.8
247.06203	5.0
299.20197	13.7
333.24628	4.2
341.06726	7.1
341.17783	6.6
343.19214	18.4
375.14301	4.5
419.24423	8.3
498.19360	3.2
537.28699	5.2
543.26184	3.5
545.27637	25.1
546.11688	3.2
546.28186	3.0
563.26721	4.5
581.27271	100.0
582.27435	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29400	0.9
59.91098	0.9
61.98837	5.8
65.24756	0.8
72.78541	0.8
83.05006	1.3
96.27669	0.8
96.89582	0.7
97.93118	2.1
98.22581	2.5
99.92591	100.0
100.92590	2.9
100.93368	1.2
114.93455	1.1
115.69686	0.7
115.92088	54.6
116.92868	79.7
117.92861	2.3
124.85039	1.0
131.91454	0.9
135.64342	1.0
158.12761	0.9
167.98839	1.7
183.07825	1.0
183.94722	1.3
196.95418	1.4
211.97902	1.4
275.77527	0.8
345.49768	0.9
419.29825	1.4
451.32162	1.2
478.64508	0.8
493.06601	1.0
517.20526	1.3
519.22021	5.5
520.22504	1.1
535.21179	1.2
537.23602	1.7
549.23193	2.6
581.25781	94.1
582.25952	13.3
587.84003	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	6.3
59.01379	6.4
61.98822	10.8
67.01888	2.4
68.29669	1.7
69.03458	32.0
69.13907	10.8
71.01385	11.9
72.99307	40.6
73.02962	4.5
75.00883	3.7
75.44308	1.7
82.48577	2.0
83.05038	5.1
84.40414	1.5
85.02956	11.6
87.00890	4.8
88.05130	2.0
93.03474	7.4
93.07099	4.7
95.05044	10.5
96.27570	1.6
97.02958	100.0
97.06602	3.7
98.03302	2.0
99.04506	2.2
107.05030	4.6
109.02959	3.6
109.06609	5.1
111.04515	4.6
119.05067	2.7
121.06607	8.9
122.03756	4.7
123.00989	1.8
123.04494	4.7
123.08190	5.3
125.02393	2.3
125.06110	7.0
133.06674	2.4
135.08171	2.8
137.06100	64.7
137.09717	2.1
139.07695	8.5
141.09198	2.8
144.43564	1.9
147.08147	2.4
149.06102	7.6
149.09756	3.0
151.07706	2.8
159.08185	2.1
163.07686	3.6
173.09782	1.8
175.07713	2.7
177.05548	1.9
177.09305	4.6
181.08640	2.5
185.09781	2.9
190.49719	1.9
191.10747	1.7
195.10240	3.0
199.09758	2.5
203.10828	3.7
213.05629	2.3
215.10847	3.0
227.11044	2.0
231.13905	4.2
250.65800	1.9
283.13449	4.0
298.57559	2.0
301.14584	7.6
315.15881	3.1
323.16550	2.5
341.17603	5.2
359.18881	4.8
377.19882	5.6
389.15659	4.1
391.17569	2.2
421.20587	2.6
429.19220	3.7
437.21964	7.3
447.20132	6.5
457.22385	6.2
465.21323	37.5
466.21802	3.2
471.20218	2.9
483.22382	97.7
484.22906	7.3
517.24518	11.2
521.68988	2.2
527.23083	6.1
545.23950	41.5
546.24426	4.1
563.24994	81.2
564.25507	7.0
581.26184	77.1
582.26544	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45639	3.8
59.01397	7.0
61.20327	5.0
61.98836	25.9
66.73966	4.2
69.79237	18.5
72.34206	4.2
87.00885	100.0
88.00401	7.9
88.07207	3.4
96.96037	4.4
98.21747	3.4
99.04506	5.0
121.02968	13.3
137.02477	4.4
175.04057	4.4
182.71068	3.6
189.31895	4.6
194.21379	4.0
194.45448	4.1
213.92354	4.9
581.32721	5.1
582.28986	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77518	1.5
52.97018	1.5
57.03432	4.7
59.01382	34.9
59.77948	1.6
60.30277	1.4
69.03448	3.6
69.43941	3.4
69.44351	5.8
71.01392	30.6
72.99302	3.5
73.02940	13.4
75.00863	2.6
83.01385	4.9
83.05007	2.1
85.02964	18.7
87.00880	5.1
89.02451	12.7
93.03450	2.4
97.02985	4.1
97.58633	1.6
99.00890	9.0
99.04527	3.5
101.02455	40.5
109.02975	2.4
109.06597	3.0
113.02463	11.2
115.00388	6.7
122.90344	2.0
125.02462	4.5
125.06134	1.8
127.07682	1.8
131.03490	5.8
133.01463	14.1
135.04564	3.1
137.02391	2.5
137.06129	2.9
143.03474	6.6
149.04559	4.4
151.00385	3.5
159.02939	2.2
160.01624	1.7
161.04521	8.3
165.05635	2.2
167.03587	2.3
173.04529	2.4
178.99805	1.9
183.86134	1.5
191.05620	27.9
233.06699	2.7
241.14481	4.9
258.01953	1.8
269.04517	5.4
271.02499	4.7
272.02716	2.1
273.03043	2.7
273.14755	1.9
283.13370	2.0
293.08850	2.1
299.12860	4.2
300.02704	5.2
301.03174	6.3
302.03302	6.0
317.13983	4.5
345.13220	2.1
345.17026	2.0
371.14944	2.3
389.12787	2.2
389.16180	17.8
389.21722	100.0
390.16669	2.8
390.22095	8.2
404.14606	4.0
419.17059	10.5
442.00577	1.6
447.09332	3.2
507.26068	2.8
521.26068	31.0
522.26526	2.7
563.20850	1.8
581.13635	3.0
581.25604	18.7
582.25488	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33172	1.0
57.03459	2.6
59.01384	100.0
61.98834	35.2
62.47857	0.9
63.02405	1.2
65.00331	7.9
69.02561	7.4
69.02990	3.7
69.03451	1.5
71.01385	22.7
73.02947	5.4
75.00861	6.6
83.01395	7.0
85.02943	9.1
87.00890	1.3
89.02454	13.9
95.01440	1.7
96.96040	1.2
99.00871	2.7
101.02449	15.8
107.01406	11.9
111.00848	1.6
112.92012	1.0
113.02470	9.2
116.92879	12.9
119.03539	1.4
121.02973	2.2
125.02483	5.3
131.03519	5.8
132.02257	1.1
133.02962	2.5
134.03778	1.9
135.04546	2.5
143.03548	1.1
149.02405	1.2
149.04573	4.6
150.03259	9.4
151.00375	42.6
152.01138	5.8
159.03011	2.0
161.04575	5.2
164.01120	1.7
175.03940	1.4
178.99884	6.9
181.55217	0.9
191.05643	2.9
193.04970	1.8
199.04100	2.2
201.24924	1.1
209.46483	1.1
211.04045	1.5
227.03523	17.2
227.16597	2.6
228.03870	11.0
229.04031	7.3
233.06673	1.2
238.48697	1.1
240.04279	1.3
255.02997	28.9
256.03339	21.4
257.03522	18.3
258.04190	2.0
269.04605	4.1
269.08209	7.0
281.08118	1.5
283.09747	2.3
284.03265	37.1
285.03879	68.2
286.03946	32.3
287.04611	5.1
293.08698	2.5
299.09229	4.6
311.09232	5.9
314.11591	10.5
326.11694	4.8
329.13953	31.0
330.14383	2.7
341.13916	19.3
342.14548	1.8
389.21783	10.1
429.14026	1.4
431.08957	2.2
480.60944	1.2
521.26050	55.3
522.26343	4.0
581.14331	64.1
581.29346	1.6
582.14856	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42780	1.5
55.01864	2.2
57.03453	2.8
59.01384	64.3
71.01389	52.4
71.17117	1.5
71.29691	2.0
72.99299	1.8
73.02966	14.2
75.00866	2.0
83.01395	8.2
85.02956	23.0
87.00861	3.7
87.93632	1.8
89.02446	11.4
93.51866	2.3
95.01394	3.2
96.96061	2.1
99.00887	8.3
101.02451	40.9
105.89892	1.6
107.72025	1.7
113.01714	2.9
113.02449	24.5
119.03503	1.9
125.02455	3.0
131.03520	33.2
143.03499	4.0
149.04593	3.7
156.88602	1.7
159.02988	4.2
161.04572	37.0
191.05742	2.9
227.16560	3.6
243.85283	1.8
244.96274	1.6
281.09268	1.9
389.21844	100.0
390.22272	9.3
511.76065	1.8
521.26147	34.3
522.26703	2.9
543.04468	1.8
581.13568	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
57.03439	3.4
59.01381	47.2
61.98823	3.8
69.03451	1.9
69.40792	1.2
71.01385	47.6
71.05009	3.7
73.02952	12.7
83.01379	5.8
85.02954	20.9
87.00892	1.8
89.02451	20.2
90.02742	1.3
95.01366	4.3
97.02976	2.2
99.00900	6.8
101.02454	29.5
113.02454	21.9
119.03491	3.9
122.53825	1.1
123.04480	1.5
125.02450	12.1
131.03520	13.8
137.02470	1.8
139.07632	4.1
143.03487	3.7
149.04521	2.7
151.04065	2.2
153.09222	3.3
155.10789	17.4
159.02985	4.6
161.04559	35.9
165.01868	1.3
175.04034	1.5
177.01994	1.3
179.05623	2.9
191.05595	2.4
193.05063	2.7
194.21651	1.2
227.16539	36.3
228.16795	2.7
233.06731	1.5
250.75446	1.3
289.07214	2.8
293.08652	2.0
359.11508	1.8
371.11523	1.3
373.12875	2.3
389.21811	100.0
390.22131	8.0
419.17114	7.6
433.20593	3.4
521.26074	41.8
522.26257	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.3
59.01388	75.3
61.98829	6.5
63.33052	2.7
66.03159	2.7
71.01385	56.4
73.02973	15.7
83.01401	7.8
85.02961	26.5
87.03776	2.8
89.02466	15.9
98.22632	4.5
99.00909	6.4
101.02445	38.1
113.02452	24.0
118.52810	2.5
119.03487	3.0
123.04530	3.5
125.02477	8.7
131.03511	20.3
137.02428	2.9
138.03226	3.2
143.03551	5.7
149.02454	2.8
150.55775	2.9
151.00421	3.8
159.03033	4.7
161.04558	31.7
166.83052	2.7
169.11896	2.8
178.02652	4.7
178.78674	2.5
179.87947	3.0
193.05014	5.0
227.16592	9.8
294.28857	3.1
345.18832	3.0
375.14633	6.6
376.14755	15.7
377.15100	4.4
389.21851	100.0
390.22333	6.6
419.17239	7.4
427.10312	2.7
521.18933	5.1
521.26105	67.1
522.26416	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	3.5
59.01385	50.0
61.98841	11.3
69.35225	2.1
69.41979	16.4
71.01387	62.8
71.05022	4.2
73.02941	13.5
77.17746	2.2
80.02505	2.2
83.01378	7.1
85.02951	24.8
87.00886	3.1
89.02449	34.0
89.50056	2.2
95.01385	2.5
99.00884	8.5
101.02444	38.4
113.02460	17.7
119.03487	4.3
125.02474	5.8
129.62274	2.1
131.03503	9.7
137.09708	3.1
139.07657	6.3
143.03500	4.5
144.02838	2.1
149.04527	15.9
153.09158	4.0
155.10789	17.7
159.02983	4.3
161.04559	23.0
184.22447	2.3
191.05586	3.4
227.16545	28.1
244.61696	2.1
293.08893	3.6
355.36850	2.5
389.21832	71.6
390.22089	7.0
447.14270	2.4
515.68445	2.6
521.26080	100.0
522.26337	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	1.1
57.03441	1.6
58.00584	0.8
59.01103	1.1
59.01385	21.3
59.65128	0.5
61.98837	9.0
63.02393	0.6
65.00335	3.3
69.24274	4.6
71.01386	18.8
72.99308	1.6
73.02952	5.3
83.01400	3.9
83.75596	0.5
85.02962	7.3
87.00898	1.3
87.28741	0.5
89.02452	12.7
95.01397	2.0
97.02942	0.7
98.21827	1.1
99.00900	3.0
101.02447	14.7
107.01410	3.8
111.00889	1.1
113.02458	7.0
117.03480	3.8
119.03516	1.7
124.01647	1.9
125.02486	3.3
129.01942	0.6
131.03497	6.8
133.03058	0.6
135.04501	1.2
143.03511	1.6
149.04565	4.0
151.00383	10.2
152.01181	6.6
155.05109	0.6
159.03062	1.0
159.04471	0.7
161.04564	5.3
169.06602	0.6
178.99841	4.9
179.05606	1.1
180.05812	0.9
181.06645	0.7
191.05629	4.4
192.05727	0.7
195.67731	0.6
197.06119	1.1
199.04080	0.9
201.05644	0.6
225.05531	2.6
227.16588	1.2
233.06636	1.8
239.08218	0.6
243.06555	0.7
259.06186	1.4
267.07712	0.6
269.04562	100.0
270.04919	7.4
281.09332	0.6
287.05374	0.7
389.21808	34.8
390.22198	2.7
419.11029	2.3
447.13925	1.6
517.15210	1.0
521.26050	19.8
522.26550	2.2
581.15137	14.1
582.15521	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34348	0.4
59.01371	0.5
63.96237	0.9
71.01385	6.8
73.02945	1.0
78.98603	4.7
79.95743	7.5
80.96525	51.1
81.03465	0.6
85.02960	2.6
87.00896	2.0
93.54979	0.4
94.98094	11.6
94.98695	0.6
95.01378	0.4
96.96039	0.8
97.02959	1.0
97.56688	0.4
98.10742	0.4
99.04533	0.7
101.02460	2.3
106.98117	2.4
106.98715	0.4
113.02479	0.6
114.06474	0.4
122.96786	0.5
122.97610	5.0
125.02452	2.8
127.04014	0.7
134.97601	3.6
136.99142	1.4
137.02295	0.4
146.34735	0.4
148.99164	4.3
152.98653	8.0
164.98642	10.1
182.99672	1.8
183.84657	0.4
194.67052	0.4
206.99678	2.3
225.00752	14.5
226.01096	0.5
229.57327	0.5
230.04208	0.4
243.01794	1.3
281.24939	2.5
299.04483	2.1
345.03476	0.4
448.61795	0.4
507.71118	0.5
581.30035	100.0
582.30377	12.6
607.28412	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85727	0.4
59.01386	0.7
60.10600	0.3
61.98836	100.0
71.30792	0.6
72.99313	0.9
78.95914	1.3
80.96552	0.5
82.96141	1.2
82.96991	0.4
99.04520	5.8
104.36801	0.4
110.50731	0.4
116.93003	0.5
152.99565	0.8
158.83081	0.4
179.66928	0.4
238.13580	0.5
265.32016	0.4
279.23352	3.4
280.23788	1.4
281.24066	0.6
282.24353	0.6
399.14737	1.4
415.25317	0.4
504.31421	0.8
507.31934	0.5
581.27142	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.3
61.31815	0.3
61.98833	100.0
69.09943	1.7
69.10361	0.9
78.95909	0.9
98.22495	0.5
100.06590	0.3
189.23933	0.3
198.92361	0.4
242.18629	0.3
279.23380	1.2
280.23706	0.5
424.08868	0.3
504.31375	0.7
507.31842	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88351	3.0
59.01384	100.0
59.25539	3.4
61.98834	60.4
71.01385	62.9
71.30424	6.1
72.99271	3.5
73.02993	4.9
74.39736	4.1
83.01428	3.7
85.02968	14.0
87.40133	4.0
89.02451	81.0
95.01395	4.8
101.02457	28.4
113.02470	27.7
119.03509	29.7
125.02478	4.5
131.03490	5.0
136.33255	3.5
143.03496	7.0
150.03259	4.4
161.04573	6.9
165.05583	4.9
173.04617	4.0
179.05638	26.5
191.05719	5.8
225.07861	3.9
329.13980	5.2
390.22220	5.8
391.23297	7.2
421.18723	7.4
470.49207	4.0
582.23077	4.7
583.23926	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.8
60.37522	1.4
61.98836	100.0
71.01388	17.9
72.99338	2.8
73.02961	15.3
85.02966	2.8
87.00912	7.8
89.02449	5.3
96.96012	1.5
100.48301	1.4
101.02445	2.5
106.54604	1.5
113.02471	2.0
115.00365	3.3
117.01960	1.7
125.02502	1.6
146.73962	1.5
187.07645	2.4
225.09071	1.4
240.36716	1.6
264.35953	1.6
319.21133	2.0
346.20807	3.1
363.21570	2.4
364.22058	4.1
421.20279	3.1
426.63550	1.4
451.25723	3.5
459.22205	2.3
477.22650	5.6
493.22949	3.3
539.22803	1.8
582.30548	7.7
583.28943	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.8
61.98835	100.0
64.72740	0.2
70.44018	0.7
71.01386	2.3
72.01715	0.3
73.02950	0.7
83.01424	0.2
85.02989	0.7
89.02442	1.2
101.02457	1.1
113.02485	0.6
124.10645	0.2
125.02478	0.8
131.03542	0.4
134.72981	0.3
137.02496	0.2
149.04610	0.4
151.04045	0.3
153.09200	0.4
161.04607	0.6
165.01984	0.4
225.15027	0.4
226.15407	0.4
388.20670	0.4
389.21500	0.7
390.21927	0.7
391.23380	2.0
420.11554	0.5
421.15530	0.3
436.52408	0.2
522.25763	1.2
523.27911	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.10009	1.9
69.10427	2.8
82.95437	0.8
83.15736	0.7
84.00949	1.4
101.98100	23.4
101.98745	1.2
142.01291	1.8
145.97099	1.1
171.06947	0.8
223.04593	0.6
318.23495	0.7
342.88776	0.6
377.25006	3.0
378.25174	1.3
453.30295	4.2
454.30435	3.0
462.22723	2.0
522.55811	0.7
538.27942	3.9
539.28241	0.7
562.66797	0.8
582.26947	11.0
583.28198	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	3.9
61.98837	100.0
69.01656	17.7
69.02064	4.4
74.86269	1.8
82.95419	7.4
84.00929	10.1
84.90226	1.8
84.95122	2.7
88.03668	2.0
99.04525	3.7
101.98110	21.8
114.05898	2.1
122.18504	2.1
122.62856	2.4
126.21381	1.9
145.97020	2.1
173.88263	1.8
329.88947	1.9
332.48013	2.2
377.24860	8.1
378.25229	2.1
444.43832	2.2
453.30066	8.0
454.30457	3.6
462.22723	2.3
538.28094	3.6
582.27148	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
61.37968	37.1
61.85165	37.9
61.98825	73.8
63.49961	34.2
70.49760	97.0
134.01973	30.5
150.79062	32.9
153.64197	31.0
158.31009	31.4
163.18095	30.4
175.20552	30.7
175.96207	30.0
224.57352	37.8
234.44827	33.2
263.69333	34.9
507.31006	40.8
582.25281	100.0
583.30042	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60789	0.9
54.60891	0.8
59.01366	2.6
61.98833	100.0
62.35563	0.9
68.04050	0.9
71.01379	2.5
75.00854	1.1
87.42095	0.9
98.21763	1.6
99.65300	0.9
101.02451	1.1
107.00231	1.0
120.90213	0.9
145.15752	1.0
327.25397	1.8
339.25510	1.6
357.26428	2.9
385.25943	1.8
388.29944	1.0
406.16739	1.0
441.94107	1.0
519.31732	33.9
520.32074	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67754	0.5
56.42327	0.5
59.01381	5.1
60.82388	0.6
61.98834	100.0
63.99287	0.6
71.01394	1.7
71.32209	0.6
71.32603	0.7
72.58933	0.6
73.02958	0.7
85.02964	1.1
87.00910	1.6
89.02470	1.1
96.96023	0.6
101.02494	1.2
113.02496	0.9
128.57375	0.7
167.03795	0.6
173.04510	0.7
175.11310	0.7
305.98419	0.6
327.25430	0.8
339.25403	1.2
357.26736	2.2
383.24756	2.1
384.25015	2.2
396.89822	0.7
430.55365	0.7
474.38455	0.7
519.31702	19.8
520.32385	1.9
547.29877	0.8
582.30243	1.0
583.24866	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95740	1.3
59.01386	11.3
61.98822	4.0
65.00323	1.8
71.01379	8.6
73.02942	1.2
85.02963	2.9
89.02440	8.0
100.99215	1.3
101.02466	5.0
107.01413	2.7
111.12580	1.3
113.01731	1.4
113.02438	6.4
118.62627	1.3
119.03471	2.5
122.80897	1.2
135.11807	9.0
151.00351	5.5
152.00787	1.4
153.00935	2.2
159.11900	1.6
161.04494	1.7
161.09738	10.0
179.03400	1.8
179.05623	1.5
179.10779	50.5
180.11084	1.5
203.10814	3.1
223.09775	100.0
224.10132	3.6
265.10825	3.9
285.04019	2.3
287.04810	1.8
325.12823	2.2
385.15048	57.8
386.14966	2.3
421.18054	1.5
523.27124	1.5
583.16504	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95740	1.3
59.01386	11.3
61.98822	4.0
65.00323	1.8
71.01379	8.6
73.02942	1.2
85.02963	2.9
89.02440	8.0
100.99215	1.3
101.02466	5.0
107.01413	2.7
111.12580	1.3
113.01731	1.4
113.02438	6.4
118.62627	1.3
119.03471	2.5
122.80897	1.2
135.11807	9.0
151.00351	5.5
152.00787	1.4
153.00935	2.2
159.11900	1.6
161.04494	1.7
161.09738	10.0
179.03400	1.8
179.05623	1.5
179.10779	50.5
180.11084	1.5
203.10814	3.1
223.09775	100.0
224.10132	3.6
265.10825	3.9
285.04019	2.3
287.04810	1.8
325.12823	2.2
385.15048	57.8
386.14966	2.3
421.18054	1.5
523.27124	1.5
583.16504	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13774	1.2
62.95812	1.2
63.30976	1.2
69.20382	5.0
69.20784	4.6
71.01408	2.8
78.95913	100.0
79.95718	1.4
80.96525	6.7
81.95322	1.6
82.96112	4.2
94.98095	1.5
96.96964	6.8
99.66372	1.2
99.92606	11.4
100.93410	1.9
108.09239	1.2
111.62410	1.4
115.92084	42.4
116.92139	1.3
116.92860	26.5
142.94466	1.7
146.02638	1.5
150.97975	7.0
152.99615	36.2
163.89790	1.8
164.90497	1.7
164.98723	1.6
171.00626	5.9
172.95470	6.0
178.88426	5.8
179.89240	32.1
180.90048	21.4
191.12415	1.4
194.87874	3.8
196.87677	2.5
196.89500	50.4
197.89532	2.7
205.90759	3.9
206.91472	2.7
208.89551	3.0
218.91528	2.3
219.92397	1.6
225.00897	1.6
227.00459	1.6
235.91890	7.7
236.92641	23.4
248.08156	1.4
252.92155	3.2
255.23296	12.0
270.93326	2.6
278.93738	2.4
357.66647	1.5
409.23373	1.8
435.12192	2.2
475.15616	8.9
492.16165	6.9
517.16577	1.9
535.17737	5.0
547.17755	4.7
583.19720	66.1
583.30151	20.2
584.20087	10.7
584.28973	1.9
586.57141	1.5
595.35883	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28524	3.0
57.03442	7.0
59.01379	47.2
65.24248	3.3
69.30713	14.7
69.31122	9.4
71.01382	33.1
83.03783	3.1
85.02969	6.5
85.06612	9.9
89.02445	46.3
101.02451	24.7
109.03004	7.7
113.02468	9.2
119.03490	9.6
123.04551	5.9
125.02477	18.3
131.03523	17.3
131.07149	37.7
137.02411	3.6
149.02544	5.0
149.04555	15.1
151.04015	8.5
159.04460	3.3
161.02423	6.8
163.04047	5.9
164.04889	4.2
167.03502	5.8
179.05617	7.9
191.05638	19.4
203.07047	3.3
205.04993	3.7
208.03766	6.9
223.06067	17.9
243.02975	4.6
245.08273	4.3
289.07275	14.2
293.12454	100.0
294.12936	4.9
385.11133	7.4
405.21329	5.1
537.25537	34.8
547.20367	4.0
583.15125	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2188
Annotation	Ficusesquilignan A
Peak:m/z	Relative Intensity
51.84344	0.5
55.24585	0.5
69.20210	5.0
78.97020	0.5
81.28999	0.5
85.52109	0.5
93.03478	3.7
93.76886	0.6
95.05025	0.8
98.22498	0.9
109.03003	0.7
121.02976	5.0
122.03757	13.3
123.04485	0.9
133.02954	1.6
135.04506	0.8
136.01654	0.9
137.02441	0.7
140.31731	0.6
145.86551	0.5
149.02455	28.4
150.03239	88.9
151.03632	2.5
164.04805	7.2
165.05580	100.0
166.05908	2.7
177.05557	2.4
179.07057	0.7
180.04291	7.3
195.06638	56.0
196.06998	2.0
203.07056	1.0
220.07355	0.8
268.07397	3.0
277.39154	0.7
280.07324	1.0
283.09799	1.4
291.06796	0.8
295.06400	0.7
295.09671	0.7
296.06714	1.2
297.07687	1.2
297.11246	1.5
299.09445	0.7
299.13074	0.6
307.06348	0.7
307.09683	1.4
308.07196	1.0
308.10522	1.7
309.07608	1.7
309.10919	0.9
311.09149	1.1
312.06369	2.4
321.07559	0.8
323.09229	2.9
323.12616	0.6
324.06522	1.0
324.09958	1.5
325.10956	3.3
326.11554	3.9
327.08813	7.7
327.12277	1.1
338.11414	1.0
339.08676	7.9
339.12381	1.5
340.09134	0.9
341.13934	1.2
342.11105	5.1
354.11179	3.5
355.11685	0.8
357.09082	1.3
357.13431	21.2
358.13687	1.2
369.13443	23.4
370.13516	1.4
375.22784	0.6
457.13031	1.2
461.16055	1.1
487.17459	1.7
489.15137	1.2
490.16241	0.7
505.18729	8.4
517.18561	1.7
535.19781	39.7
536.20148	4.7
583.21783	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89505	0.5
53.04111	0.5
61.98836	2.8
69.02873	2.8
69.03284	1.2
90.39452	0.5
93.03460	3.7
105.55173	0.5
108.02193	0.6
113.02402	0.4
121.02973	4.6
122.02397	0.6
122.03750	14.3
123.04597	0.8
125.02431	0.7
132.02187	0.5
133.02962	1.5
136.01750	1.1
137.02478	0.9
137.35313	0.4
138.03302	0.9
149.02457	18.1
150.03236	92.2
151.03630	2.5
153.05519	0.8
160.01570	0.7
164.04803	3.5
165.05580	100.0
166.05905	3.1
167.03525	0.9
175.04048	0.5
177.05539	0.6
179.03450	0.5
180.04283	6.9
195.06633	63.6
196.06906	2.4
223.06052	0.9
234.80196	0.5
240.07961	1.3
267.06628	0.5
268.07501	2.4
273.44318	0.5
283.09702	1.6
284.07028	0.7
293.08328	0.8
295.09482	0.5
296.06934	1.3
299.09387	0.8
308.06833	0.8
309.07648	1.4
311.09186	0.9
312.06396	1.7
312.10071	0.8
322.08469	0.9
323.09225	3.5
324.06317	1.3
324.09955	1.5
325.10706	0.8
327.08755	6.2
337.10989	0.8
338.11469	1.4
339.08759	8.7
339.12396	1.6
342.11041	5.4
354.11127	3.7
357.13443	23.1
358.13782	1.4
369.13416	21.4
370.13821	1.2
381.13855	0.7
385.13303	0.5
505.18591	1.1
535.19568	1.5
553.20520	0.6
583.20746	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17349	1.1
53.25473	1.0
59.01364	2.0
61.98827	2.8
67.01884	1.1
68.99520	1.4
68.99821	17.4
71.01380	2.2
71.29749	1.3
71.72961	1.0
72.99312	1.1
95.01382	2.3
108.02176	27.5
109.02990	6.2
111.00848	1.1
117.03436	1.7
121.02909	3.7
122.03692	4.2
123.00893	14.1
123.04535	32.2
125.02426	1.2
130.94534	1.0
132.02158	4.5
133.02983	2.6
135.04485	1.4
138.03235	43.0
147.04501	2.5
148.01665	1.6
149.02393	1.6
150.03235	17.3
153.05576	2.6
159.04572	1.3
160.01608	1.8
161.02461	13.3
162.03233	34.3
163.04018	14.8
165.05591	5.5
167.03532	1.1
177.04091	2.2
177.05580	45.1
178.02725	34.2
178.05922	2.5
179.03394	6.1
193.05061	100.0
194.05626	6.5
195.06622	2.4
208.03725	1.7
252.35297	1.0
270.08850	1.7
272.95584	1.4
285.11276	2.3
299.09109	3.5
311.09274	2.0
313.10635	1.3
314.07956	4.1
324.09790	1.1
325.10742	1.3
327.08292	1.2
329.10266	8.4
341.10287	10.3
344.12607	9.4
356.12698	2.8
359.15030	15.9
371.15018	10.1
553.20697	2.2
583.21606	40.6
584.21924	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.4
61.98829	0.5
75.18483	0.4
99.04528	41.2
100.04902	0.5
107.01148	0.4
107.20177	0.4
119.81638	0.3
166.02716	0.7
185.06137	0.5
195.04643	0.6
196.05298	0.5
197.06032	0.4
209.05957	0.4
211.03975	0.7
212.04813	0.8
213.05589	2.1
223.04228	0.5
225.05559	0.9
226.06317	0.8
227.07162	1.0
235.04048	0.4
235.07726	0.4
236.04822	0.5
237.05591	1.3
238.06380	1.1
239.03491	0.8
239.07161	1.6
240.04262	0.7
241.01393	0.6
241.05075	2.5
242.02400	0.5
249.05663	0.4
251.07141	1.3
252.04160	0.6
253.05029	1.6
254.05911	2.6
255.02933	0.5
255.06665	1.5
263.03702	0.6
263.07080	0.4
264.04279	3.5
265.05063	7.4
265.08368	0.5
265.08875	0.4
266.05737	0.5
267.03030	1.4
267.06558	1.6
268.03741	0.4
269.00836	1.4
269.04596	1.4
269.08182	1.0
270.01492	0.4
271.02567	0.6
278.05923	0.4
279.06528	2.2
280.03735	1.3
280.07251	0.7
281.04547	1.5
281.08179	1.2
282.05286	2.6
283.06113	1.6
284.03308	0.8
286.04730	0.7
292.03711	1.2
293.04575	5.6
294.05273	1.1
294.08817	0.7
295.02597	0.4
295.06113	1.6
296.06870	2.0
297.04102	1.0
297.07645	6.3
298.04843	0.8
298.08023	0.6
299.05612	0.6
306.05328	0.6
307.06296	2.3
308.03641	0.4
308.06830	1.9
309.04349	0.6
309.07700	2.5
310.04816	2.8
310.08118	0.6
311.05679	1.7
312.06473	0.9
321.04068	0.5
323.05740	1.0
324.06421	0.9
325.07190	21.0
326.07709	2.6
327.08820	0.4
335.05563	0.9
336.06323	0.7
337.07224	3.1
338.04269	0.9
338.07959	1.3
339.08685	1.4
340.09500	1.2
351.08704	0.9
353.06683	17.8
353.10977	0.9
354.07077	1.5
367.08365	1.5
368.09012	8.6
368.13358	0.7
369.09415	1.1
383.11377	100.0
384.11716	8.1
401.12558	1.0
483.16632	16.5
484.16776	1.5
583.21735	1.8
583.31714	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.219
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	0.9
69.74169	3.2
83.07887	0.8
93.03484	4.4
113.61467	0.8
121.02965	13.6
121.09344	0.7
122.03766	16.1
123.00887	2.2
123.04559	2.0
124.01691	1.3
133.02930	2.0
135.04553	6.7
136.01668	12.2
137.02475	3.9
138.03261	0.9
147.04497	1.1
149.02454	30.3
149.06100	1.3
150.03244	94.7
151.00378	2.9
151.04045	15.4
160.05354	0.9
162.03357	1.0
163.04034	2.9
164.04814	6.3
165.05586	100.0
166.02727	9.9
166.05930	3.5
167.03513	2.2
172.05305	1.7
174.03252	1.0
175.04041	4.6
179.07208	0.8
180.04309	6.0
181.05093	13.7
181.55238	0.8
189.05589	4.0
190.06360	6.9
195.06645	54.4
196.06979	1.6
205.08688	2.6
206.05818	1.1
221.08179	1.2
226.23633	0.8
266.06012	1.3
268.71588	0.8
297.07611	1.0
309.07745	1.1
326.11661	1.1
329.10376	3.5
341.10101	1.4
353.10464	1.0
356.12582	1.9
357.09705	2.3
357.13513	11.5
358.13922	1.3
369.13199	1.1
372.12286	2.5
373.13266	3.8
386.13916	1.2
387.14542	24.9
388.14722	2.3
505.18680	6.4
517.18774	1.6
535.19769	45.6
536.20032	5.0
583.21338	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16895	0.5
58.90062	0.5
59.01405	0.6
59.41733	0.5
59.57973	0.5
61.98835	6.2
69.81171	2.1
89.04600	0.6
93.03485	3.6
109.02979	1.0
121.02962	4.9
122.03757	13.2
123.04572	1.0
133.02965	1.5
135.04579	1.0
135.54369	0.5
136.01665	5.9
137.02457	1.8
149.02455	18.5
150.03241	86.6
150.42676	0.5
151.00404	2.1
151.04053	7.1
160.17374	0.5
161.02553	0.6
164.00882	0.5
164.04767	3.1
165.05580	100.0
166.02754	5.0
166.05876	2.7
167.03563	0.6
175.04079	0.9
175.58214	0.6
180.04294	6.7
181.05063	6.3
189.05571	1.2
190.06355	1.5
195.06641	62.8
196.06923	3.0
221.08183	1.0
251.16507	1.3
309.07635	0.9
329.10312	1.3
342.11108	1.2
357.09644	1.6
357.13525	8.9
372.12271	1.1
373.12946	1.5
378.13315	0.5
387.14529	12.8
388.14682	0.9
505.18277	0.8
535.20129	3.5
573.56464	0.7
602.99524	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2324
Annotation	Iryantherin C
Peak:m/z	Relative Intensity
57.03436	6.0
59.01379	25.9
61.98833	53.5
69.03460	13.1
71.01376	13.8
72.99295	11.9
73.02934	6.7
85.02952	18.2
87.00896	6.7
89.02474	9.1
93.03486	4.9
95.05016	8.9
97.02949	41.3
97.06632	6.0
97.12229	4.5
98.22469	4.4
99.04533	5.7
101.02470	12.5
108.05814	12.9
109.02956	7.4
109.06574	7.2
113.02465	5.9
121.02947	27.3
121.06593	13.3
123.04542	11.9
123.08187	6.4
125.06115	13.8
135.04530	5.1
137.06085	32.6
139.04048	9.8
147.08189	5.0
149.06139	9.2
155.64838	4.5
161.09718	10.5
163.07719	5.8
163.11311	100.0
167.07100	23.9
189.09222	10.4
191.05603	13.9
199.09750	62.2
200.08481	4.7
200.65422	4.7
201.09087	5.7
207.10353	8.7
209.11827	4.4
215.10779	21.7
217.01637	5.6
217.12326	7.8
229.12471	10.8
243.13898	8.1
249.11304	14.9
253.08736	10.8
254.09492	4.9
257.15527	16.2
271.09866	9.9
285.14920	13.0
287.12842	6.1
300.08432	4.6
301.45892	4.9
303.12881	5.2
303.16104	16.7
303.22397	5.4
306.80728	4.9
307.68033	4.5
315.12299	8.2
329.13953	35.4
347.15012	14.0
347.21539	4.7
380.31854	4.4
385.20218	17.3
386.20529	5.5
391.23184	5.2
407.22598	7.7
413.19711	5.4
413.26584	6.2
417.20847	9.8
431.21451	8.0
431.27881	4.7
435.21637	12.6
439.24661	6.5
449.22079	21.6
457.25916	10.7
467.24484	27.7
475.26868	4.7
479.20917	10.3
483.24005	10.9
485.25467	63.8
486.25800	7.4
501.25027	69.0
503.26733	32.3
511.23480	69.9
512.23151	5.5
529.24536	86.6
530.24677	12.4
547.25623	61.2
548.25983	8.6
583.30212	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.1
57.52007	2.5
59.01378	7.9
61.36425	2.3
61.98844	17.4
73.02950	9.0
75.00912	3.0
85.03005	3.3
95.04955	3.2
98.82893	2.8
99.04519	14.7
107.05034	2.6
121.02967	3.0
121.06597	5.2
121.99606	2.7
135.04539	8.8
170.25621	2.6
174.54755	2.3
179.10802	4.0
191.05685	2.8
207.33727	2.6
229.30595	3.2
257.11914	4.5
258.58963	2.8
297.07797	3.1
297.14969	4.5
325.07141	4.7
325.74167	2.7
353.06561	3.8
383.11469	12.8
467.24380	3.9
515.22961	6.4
523.23193	9.7
529.24457	3.1
547.25494	100.0
548.25946	13.1
573.36584	2.7
583.28949	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42784	2.8
52.84545	3.0
52.99424	3.2
60.99302	14.0
61.98816	4.0
65.30953	2.9
65.56882	3.1
72.99311	5.9
73.02944	4.1
74.62137	3.0
87.00879	14.9
88.00392	5.3
88.98814	89.3
89.02451	100.0
99.04449	3.5
110.17210	3.2
136.65608	3.1
136.88782	3.0
147.13615	3.0
173.33807	3.0
308.57883	3.5
491.83072	3.2
583.27942	5.4
605.12482	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.6
60.99316	16.3
61.98834	12.0
69.00892	9.6
69.01313	14.1
72.55146	2.0
87.00882	7.6
88.00384	4.0
88.98815	100.0
88.99374	5.4
89.02450	48.8
99.04483	2.7
103.40038	2.8
191.05600	3.7
198.05585	2.3
251.60197	2.4
295.75580	2.1
514.27271	2.5
529.24207	2.8
547.25104	4.0
583.28119	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76541	0.7
59.01385	100.0
60.01682	0.8
61.02180	0.7
61.98831	1.2
69.05627	0.8
69.15986	1.3
69.16331	7.6
72.99320	1.2
75.00884	1.6
83.05032	0.8
85.73624	0.7
97.02945	1.0
111.00889	2.3
112.01678	3.5
123.04550	1.2
137.02425	0.9
146.95221	0.8
199.07690	1.3
209.13487	0.9
227.10760	1.6
227.88425	0.7
241.12122	0.8
331.20752	1.1
359.19913	1.2
362.78659	1.0
392.42334	0.7
399.23459	1.9
405.02777	0.9
417.24405	2.2
461.23190	4.2
479.24423	2.2
505.22250	6.8
523.23413	88.3
524.23883	11.0
545.27850	1.0
547.28815	1.0
555.98663	0.9
583.28088	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32322	0.9
59.01390	1.2
61.98824	1.9
69.27151	1.1
78.95911	2.4
96.96980	2.7
99.04530	100.0
99.92619	2.9
100.04845	2.6
101.06101	1.6
103.02401	0.9
115.92115	1.0
116.92888	2.9
208.67680	1.0
251.07199	1.2
267.06509	5.1
279.06638	4.4
282.09000	2.3
287.05692	1.3
290.30936	1.0
294.08899	2.1
295.06146	4.4
296.06369	1.0
297.11581	1.4
306.05270	1.7
307.06161	4.7
309.07877	1.1
309.11456	1.5
310.08545	2.1
321.07761	1.8
322.08548	3.3
323.05661	9.0
325.10699	5.7
337.10791	8.9
338.07999	4.6
351.12292	1.8
352.13229	2.4
353.10291	24.9
354.10718	1.5
368.12665	14.3
369.12982	2.5
383.15048	48.8
384.15378	3.8
401.16174	1.7
423.11038	2.3
453.15656	4.5
468.17966	2.7
483.20636	5.4
485.32578	1.2
527.16132	1.3
539.94257	1.1
583.22626	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2554
Annotation	kirkinine D
Peak:m/z	Relative Intensity
59.01385	74.0
60.91624	1.5
61.98835	15.0
69.03473	9.4
69.04693	13.6
69.05103	2.2
71.01375	3.7
79.05486	2.3
83.05035	43.4
85.02949	3.0
93.03479	3.6
97.02959	20.4
99.04543	2.4
101.02418	2.3
103.91125	1.4
107.05015	3.4
109.02978	2.5
109.06589	4.4
111.00870	2.4
112.01711	2.2
113.02444	7.7
115.05514	1.6
118.26315	1.4
121.06617	4.1
125.02442	6.5
126.03249	1.8
127.04030	24.2
135.04544	4.6
135.08189	2.0
137.06093	7.6
149.02513	1.7
149.06146	2.2
149.09709	1.5
151.03879	1.6
151.39378	1.6
153.05617	12.0
157.77834	1.8
159.08153	1.9
161.09773	2.0
166.04460	1.5
173.04527	1.8
173.09680	1.9
187.07877	1.8
189.17775	1.4
211.11453	2.2
227.14467	4.2
267.13840	2.2
277.16190	1.7
281.15839	1.6
288.07047	1.5
305.15704	1.9
307.17105	4.0
323.16489	1.6
325.18161	3.0
347.20346	2.4
359.53424	1.6
365.21011	2.1
399.23230	4.1
399.42978	1.8
413.19720	2.6
417.24362	2.8
429.19183	3.6
435.25284	1.9
443.21933	4.6
461.23492	4.6
479.24286	3.5
495.23831	4.1
505.22562	3.0
523.23444	22.7
524.23792	2.2
541.24500	28.1
542.24994	3.8
583.25464	100.0
584.25909	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39767	0.4
57.03445	0.6
61.98822	0.5
63.52566	0.5
69.75601	1.1
69.75991	0.8
83.05036	0.8
84.52069	0.5
92.82425	0.4
98.21796	0.6
99.92595	81.0
100.92614	2.6
100.93375	1.8
115.92089	43.5
116.92872	60.5
117.92884	1.8
117.93655	0.6
131.91609	1.0
132.92352	0.7
134.78061	0.4
167.98888	0.9
182.97545	0.6
183.94670	1.1
188.93246	0.6
196.95599	0.7
211.97852	1.0
217.57722	0.5
287.73602	0.5
290.90240	0.5
318.61951	0.5
356.45758	0.4
368.78146	0.5
421.31665	0.7
453.33795	2.6
454.33783	0.5
521.24017	0.9
539.26788	0.5
553.26685	1.2
564.32184	0.5
565.26355	0.8
571.27338	1.6
583.27380	100.0
584.27679	13.9
602.37256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
66.93364	13.6
67.74432	12.5
70.92137	35.0
99.92583	71.8
115.92087	35.1
116.92864	53.2
129.28236	13.4
144.19417	16.7
205.78065	13.4
346.30093	14.5
583.27509	100.0
584.27753	22.4
604.23425	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79268	1.1
57.03441	3.5
58.00587	2.1
59.01383	9.7
61.98843	3.3
69.93921	2.2
69.94321	2.8
71.01377	4.3
72.99312	9.8
73.02936	3.8
75.00874	5.1
76.21046	1.3
85.02960	4.3
87.00889	2.4
87.04528	10.9
89.02460	5.6
95.05048	1.4
97.06619	3.2
101.02441	3.0
109.06595	3.1
113.02422	1.3
120.37992	1.3
121.02969	1.4
121.06600	2.6
122.03732	2.7
123.04570	2.6
123.08185	2.1
125.06077	2.3
127.07675	3.0
127.77213	1.3
135.08167	1.6
137.09726	2.2
142.77679	1.3
149.02451	4.0
149.09766	1.6
150.03229	10.6
153.09280	1.9
163.07628	3.5
165.05594	10.0
179.10767	1.6
191.05627	2.9
195.06645	5.0
199.09772	3.1
222.67131	1.3
233.15483	3.1
269.15552	3.0
287.16537	9.7
313.18152	1.6
315.19693	1.5
339.19540	3.2
357.13440	2.0
357.20731	4.2
369.13724	2.9
375.21759	26.1
376.22171	1.4
415.24863	4.3
435.24103	2.9
463.23462	14.8
464.23886	1.8
477.25473	1.6
535.19702	3.8
537.27100	42.0
538.27203	6.4
547.25250	4.2
565.26605	65.0
566.27051	8.4
583.27618	100.0
584.27905	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70863	0.6
57.03448	2.7
59.01384	2.9
59.61197	0.6
61.98825	4.0
68.99816	2.3
69.03451	0.6
71.01395	5.3
71.28545	0.8
72.99319	2.3
73.02957	2.0
77.74413	0.7
85.02967	1.8
87.00903	1.9
87.04533	2.3
89.02453	42.2
90.02736	0.6
99.04494	0.8
101.02455	1.3
103.62193	0.7
108.02187	4.7
109.02975	1.9
111.04601	0.6
113.02532	0.7
121.02956	1.1
122.03744	0.7
123.00895	1.6
123.04536	3.5
123.08184	0.7
125.02468	1.2
126.63574	0.7
132.02164	1.1
137.02455	1.2
138.03261	5.2
147.08202	1.2
150.03246	2.7
151.03955	0.9
159.08339	0.6
161.02478	2.2
162.03232	6.4
163.04013	2.5
165.01906	0.6
165.05542	0.7
165.09235	3.0
166.06441	1.3
173.06079	0.9
177.05576	5.3
178.02718	5.2
179.03539	1.3
187.07718	0.6
189.09277	0.9
191.07121	0.6
193.05090	13.0
194.05646	0.9
237.13008	0.7
241.04961	0.7
247.13503	0.8
249.16673	0.7
285.11282	0.8
295.16983	2.9
309.18625	1.0
313.18170	1.4
314.08173	0.7
329.10397	1.3
341.10205	1.3
344.12659	1.3
357.17242	1.3
359.11554	1.5
359.15259	1.4
365.21231	0.9
385.20486	1.4
387.21884	0.9
415.21393	2.1
427.21481	1.3
433.22446	1.0
445.22424	1.6
463.23373	5.2
492.27509	0.6
493.24594	1.9
525.21350	0.7
529.21014	1.0
547.22504	0.8
553.19830	0.7
565.26831	7.3
566.26917	0.7
583.27808	100.0
584.28229	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.8
57.03444	2.5
59.01091	2.0
59.01384	38.0
61.98833	100.0
69.28426	7.8
69.28831	1.7
71.01386	34.7
72.99292	2.7
73.02948	10.4
75.00879	1.5
75.04674	1.2
81.03483	1.9
83.01389	4.1
85.02952	14.8
87.00895	1.8
89.02454	19.4
92.15937	1.1
93.03475	1.7
94.93966	1.3
95.01403	1.9
96.96062	1.6
99.00906	5.7
101.02454	26.1
109.02946	1.6
113.02448	13.0
119.03504	5.2
123.04513	1.8
125.02468	9.0
131.03532	11.1
135.04494	1.3
136.05310	1.5
137.02478	2.3
143.03514	1.9
149.04590	4.1
151.03969	2.3
159.03088	1.3
161.02422	1.4
161.04552	13.0
165.01962	10.6
166.02640	1.7
180.04312	4.5
181.05025	4.2
191.05626	3.8
195.06631	12.5
211.06056	2.3
225.07652	2.6
233.06458	1.4
358.10553	3.9
373.12985	12.5
374.13550	1.8
390.22299	1.4
391.23386	77.0
392.23575	5.8
409.73270	1.6
421.15097	16.1
435.22217	3.6
451.25363	1.6
523.27582	29.0
524.27734	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	53.9
59.30593	3.9
61.98824	6.0
63.66032	4.1
64.74899	3.8
78.95890	8.6
96.96938	9.8
98.28375	4.2
99.04530	100.0
103.01527	36.9
115.33001	4.8
207.51041	4.5
282.50870	5.4
295.05869	6.0
297.11365	5.0
310.08380	4.8
323.05685	7.6
337.10864	10.7
338.07834	5.3
353.10333	29.8
368.12820	17.1
383.15079	58.8
458.36926	5.3
459.16144	5.4
583.28979	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21354	0.9
59.01413	1.1
60.77361	0.9
63.96233	1.7
71.01392	8.9
73.02933	2.5
75.86794	1.0
78.98598	8.2
79.95742	13.5
80.96520	92.3
85.02949	3.8
87.00880	2.8
94.98096	20.6
95.01386	1.1
96.96027	1.0
97.02971	2.1
98.21819	2.3
101.02454	2.9
106.98097	3.7
122.97594	3.9
125.02468	3.3
127.04016	1.1
127.20106	1.0
128.13013	0.9
134.97592	7.0
136.99155	1.8
148.99179	8.1
152.98708	5.8
164.98599	15.6
204.40466	1.0
206.99718	1.7
207.24692	1.1
210.78593	1.2
220.13048	1.2
225.00739	18.5
236.35362	1.1
283.26471	2.1
299.04416	3.9
385.16711	1.6
583.31604	100.0
584.32001	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89763	1.4
61.98837	11.1
67.27017	1.5
69.55933	6.6
92.47576	1.4
98.22445	1.8
123.24323	1.4
156.84854	1.3
167.69197	1.5
182.57753	1.4
197.15491	20.5
203.66081	1.3
227.20192	3.5
233.20767	1.5
240.04166	2.5
241.08734	2.4
253.08784	2.9
256.11166	1.8
265.04947	1.5
265.08817	1.8
268.03809	7.8
269.08124	4.2
281.08200	9.1
282.08743	1.7
294.08981	2.4
295.09796	1.9
296.10541	3.0
297.04453	2.4
297.07697	9.1
299.12897	2.7
308.06827	3.2
309.07687	27.1
309.11108	2.4
310.08267	4.3
312.10056	4.0
323.09198	6.4
324.10068	30.2
324.13516	1.9
325.07159	14.8
325.10852	11.6
327.12253	3.1
329.77740	1.6
339.08499	3.2
339.12363	32.9
340.09485	7.7
340.13040	4.6
353.14078	2.4
354.14719	18.1
355.11813	42.5
355.15198	3.4
356.12357	3.1
369.13312	2.3
370.14166	16.7
385.16605	100.0
386.16711	8.2
470.69342	1.4
579.64301	1.5
583.32428	2.7
584.32172	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
61.98836	100.0
71.01402	0.4
71.31979	0.4
71.32361	0.4
75.00909	0.3
75.27162	0.3
85.58180	0.3
92.07397	0.3
119.37353	0.3
125.02443	0.5
165.05696	0.4
170.78818	0.3
181.12437	1.0
194.86455	0.3
204.24692	0.3
225.11357	2.0
275.03729	0.3
303.03827	0.6
387.16946	0.4
459.66788	0.3
477.70544	0.3
563.89459	0.4
584.15076	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22726	0.3
54.61237	0.3
61.98832	100.0
62.91680	0.3
69.51423	1.4
71.45898	0.3
72.99277	0.3
113.92712	0.3
128.92313	0.3
181.34624	0.3
227.03534	1.2
233.29691	0.3
255.02988	2.3
284.03275	3.7
285.04138	0.5
549.12683	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.9
61.98835	100.0
69.16061	2.5
71.01392	0.6
84.84342	0.3
88.45891	0.3
89.02472	0.6
92.49562	0.3
101.02483	0.3
113.02468	0.8
125.02509	0.6
135.04602	0.4
135.11830	0.9
137.02432	0.5
151.04048	0.3
161.09723	0.8
162.10146	0.3
165.50919	0.3
179.10759	3.2
179.11926	0.3
180.11212	1.1
189.91982	0.2
203.10814	0.3
205.08820	0.3
211.07805	0.5
223.09750	5.8
223.11784	0.4
224.10080	2.7
255.46368	0.3
266.11469	0.4
299.14603	0.3
325.12790	0.3
375.14664	0.3
385.15137	1.9
386.15305	2.3
580.41168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
61.00422	0.5
61.98835	100.0
69.29613	2.1
69.30022	1.4
72.99308	0.6
89.68484	0.5
90.28951	0.5
95.05032	0.6
97.02966	1.0
97.46545	0.5
98.48531	0.5
109.02978	1.6
121.03007	0.7
139.04070	1.3
150.03262	0.8
151.04070	0.9
153.01968	2.1
165.01967	1.2
165.05612	1.1
183.03107	1.6
189.72395	0.6
195.06667	1.2
224.80814	0.6
237.49121	0.5
250.35069	0.6
419.10077	0.8
469.68466	0.6
536.20276	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.9
61.98835	100.0
69.16061	2.5
71.01392	0.6
84.84342	0.3
88.45891	0.3
89.02472	0.6
92.49562	0.3
101.02483	0.3
113.02468	0.8
125.02509	0.6
135.04602	0.4
135.11830	0.9
137.02432	0.5
151.04048	0.3
161.09723	0.8
162.10146	0.3
165.50919	0.3
179.10759	3.2
179.11926	0.3
180.11212	1.1
189.91982	0.2
203.10814	0.3
205.08820	0.3
211.07805	0.5
223.09750	5.8
223.11784	0.4
224.10080	2.7
255.46368	0.3
266.11469	0.4
299.14603	0.3
325.12790	0.3
375.14664	0.3
385.15137	1.9
386.15305	2.3
580.41168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06775	2.5
55.05598	2.3
57.03445	24.8
59.01389	4.2
61.98843	6.0
66.14293	3.0
69.03471	3.0
71.05028	3.5
71.84073	2.9
73.02957	8.3
93.83427	2.9
97.02984	7.0
97.06614	5.6
101.02454	7.5
107.05024	3.2
109.02972	22.1
109.06626	7.2
121.06612	20.7
122.03790	4.1
123.04523	14.4
123.08179	4.3
125.02488	3.2
133.06602	4.5
135.04550	3.1
135.08189	5.9
136.05260	5.7
137.02481	14.9
137.06097	11.8
139.04022	9.7
145.10236	6.1
149.02467	16.4
149.06020	5.1
151.04109	14.3
151.05185	2.6
151.07669	16.8
161.02473	2.7
161.06099	8.7
161.09789	7.9
162.03244	5.0
163.04048	4.6
163.07579	3.5
165.05586	3.7
165.09198	7.8
167.07103	3.7
171.11790	4.1
173.09766	5.7
173.13268	4.2
174.06941	8.8
175.11293	5.2
176.01054	2.6
177.02023	3.1
179.07166	42.2
186.06827	3.4
189.09224	22.7
191.03583	7.5
191.10747	7.9
197.06126	3.9
201.09303	8.2
207.10307	6.4
209.11827	2.9
211.11418	3.3
213.05655	5.8
215.07117	29.9
219.10307	14.5
231.13962	7.5
253.10820	6.1
257.08350	5.1
273.16489	3.8
280.09802	3.9
281.10355	68.3
282.10623	3.2
293.15472	4.0
301.07236	35.4
317.15405	24.8
318.15720	5.3
333.18573	23.2
339.12363	4.2
357.18646	11.8
373.21796	8.0
377.17734	24.2
391.22638	4.1
401.17612	4.3
403.15555	3.8
406.14337	3.6
417.20862	14.0
421.16605	100.0
422.17065	9.3
423.18152	97.4
435.21774	17.1
446.17502	4.2
461.19763	51.5
462.20325	7.9
479.20636	21.4
495.51044	2.7
497.21634	8.1
497.68109	3.4
523.19714	77.5
524.20215	8.9
541.20782	71.2
541.29022	4.2
542.21393	7.8
552.36090	3.2
585.23071	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	23.1
59.01387	4.4
61.98833	21.3
72.99306	3.7
73.02952	8.9
95.34662	3.2
98.21764	4.9
101.02436	10.3
107.05021	3.3
109.02956	4.3
109.06622	9.9
121.06577	18.9
123.04488	6.1
123.08130	4.6
133.06587	4.1
135.08217	3.8
136.05292	4.6
137.06087	9.1
145.10236	15.5
149.06099	7.1
151.04063	5.2
151.07623	18.2
160.97363	3.8
161.06105	8.2
161.09708	7.9
163.07596	6.2
163.11334	5.2
165.09212	5.4
171.11696	4.1
173.09785	5.7
174.06886	9.6
179.07166	46.5
185.13388	3.9
189.09282	22.2
191.10811	7.5
201.09216	4.4
205.05057	4.5
207.10249	5.1
215.10767	5.2
219.10184	18.6
231.13953	4.6
253.10794	5.3
281.10291	40.7
317.15436	21.8
321.18423	4.5
333.18689	20.3
357.18686	9.4
373.21854	8.3
377.17603	20.6
417.20691	12.6
421.16617	88.6
422.16956	11.7
423.18115	33.6
435.21802	16.4
445.16345	4.4
461.19806	45.6
462.20178	4.2
479.20999	15.9
480.20779	3.9
497.21783	11.1
523.19696	84.3
524.19934	11.5
541.20807	100.0
542.20947	12.0
585.22400	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22373	0.2
57.03454	0.4
57.12830	0.2
59.01388	1.6
61.98835	100.0
70.28913	0.5
71.01387	1.5
72.01746	0.2
73.02942	0.2
83.01421	0.2
85.02979	0.5
89.02459	0.5
93.10393	0.2
99.00913	0.3
101.02447	1.0
102.02792	0.2
103.02942	0.2
113.02450	0.5
125.02483	0.7
126.02760	0.2
131.03500	0.4
151.04051	0.3
155.10843	0.3
160.03355	0.2
161.02541	0.2
161.04614	0.5
162.04977	0.3
191.05670	0.2
227.16608	0.5
291.95728	0.2
303.43488	0.2
390.22296	0.5
391.22699	0.8
392.22617	1.2
522.26208	0.2
524.27094	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39260	0.2
57.03446	0.3
59.01377	1.1
60.01709	0.2
61.01815	0.2
61.98835	100.0
71.01389	1.4
71.31272	0.2
72.01738	0.2
73.02943	0.3
81.63837	0.2
85.02956	0.3
89.02467	0.6
91.83626	0.2
101.02470	0.7
113.02518	0.5
119.58498	0.2
123.04578	0.3
125.02454	1.7
131.03552	0.2
135.47356	0.2
137.02444	0.3
149.04585	0.3
151.04071	0.5
151.27908	0.2
152.45276	0.2
155.10849	0.3
161.02483	0.5
161.04610	0.5
165.02046	0.2
167.03488	0.2
177.01936	0.3
191.05768	0.2
227.16519	0.3
228.16844	0.4
263.70047	0.2
283.88766	0.2
289.07336	0.4
329.96326	0.2
387.44388	0.2
389.22104	0.2
390.22232	0.6
391.22424	0.7
392.22623	1.1
422.15634	0.3
522.27185	0.2
524.26837	1.2
584.15057	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87459	14.3
59.01381	13.9
61.98822	47.6
99.04520	97.9
100.04852	19.2
178.73631	16.1
208.77388	15.1
224.92303	16.9
361.41034	15.0
383.11108	14.9
384.11841	17.6
423.21768	20.4
451.21396	100.0
452.22363	20.1
454.42386	19.1
481.25897	47.6
484.16809	22.8
541.28210	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	23.5
61.98827	100.0
102.53819	19.3
191.89644	18.0
426.30829	17.7
443.25977	19.6
503.32217	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	27.1
61.98835	100.0
62.05454	7.7
68.57574	7.6
69.17112	14.2
69.17522	59.9
69.33579	7.3
73.22996	8.5
75.66760	7.7
82.12564	7.3
82.95415	24.6
84.00908	16.5
85.00446	19.1
85.94805	7.2
87.00887	16.8
89.88596	7.8
91.34834	7.3
97.02908	7.0
97.28693	7.3
99.04529	25.7
133.33687	8.2
159.89325	7.6
258.29434	8.3
263.25143	9.3
274.85495	9.6
384.11813	13.2
397.93817	8.7
499.30618	14.6
525.75073	8.7
584.28442	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.4
61.98834	100.0
62.53474	0.6
71.01392	2.4
73.72145	0.6
78.95913	0.9
85.03008	0.8
89.02458	1.1
94.70830	0.7
97.02981	0.6
101.02478	1.6
109.16052	0.6
110.50092	0.6
113.15171	0.6
125.02454	0.9
149.02490	0.6
150.03290	1.8
152.99608	1.6
165.05652	1.9
166.06055	0.8
173.04669	0.9
182.29939	0.7
187.03972	0.7
195.06700	0.8
207.10442	0.9
295.65485	0.7
334.26324	0.6
341.27066	1.6
359.28177	3.2
360.28671	0.8
365.27362	0.7
451.21362	0.7
498.18997	0.7
521.33319	30.9
522.33704	3.1
536.20270	1.1
585.23724	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.7
61.98827	4.1
69.06805	8.0
69.07216	3.5
89.02499	1.3
130.11156	1.4
150.03229	1.5
151.00424	1.9
173.04695	1.4
181.12415	1.3
183.04613	1.8
191.05598	1.6
225.11375	4.0
227.03522	33.1
228.03903	2.0
229.05026	1.7
231.40260	1.3
255.02994	63.1
255.24814	1.3
256.03659	6.6
283.02423	1.3
284.03275	99.8
285.03995	21.3
387.23859	11.3
440.53629	1.2
539.11621	1.7
549.12524	100.0
550.13031	10.9
585.26569	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.6
58.00595	3.8
59.01374	15.8
61.98831	28.8
62.06277	1.3
69.03585	5.0
69.04001	7.1
71.01388	7.0
73.02945	5.0
75.00868	1.5
79.95747	3.5
80.96526	1.3
85.02959	15.5
89.02455	4.7
93.03472	4.9
96.96029	6.3
100.65211	1.3
101.02460	3.1
108.02179	5.5
109.02969	5.8
113.02462	2.5
117.03462	4.2
119.03528	2.5
119.04982	1.2
121.02972	11.9
122.03750	11.6
123.04532	8.8
125.02459	1.8
131.03484	1.6
133.02957	2.9
134.03731	2.0
135.04523	2.6
136.01666	4.4
137.02448	3.9
145.02962	13.7
146.03694	3.4
147.04500	4.0
148.01669	4.3
149.02444	25.1
149.06102	2.8
150.03232	55.4
151.04022	7.1
153.05571	2.8
161.02473	15.1
161.04504	1.8
161.35645	1.2
162.03229	17.9
163.04018	12.6
164.04828	7.4
165.01947	4.6
165.05573	55.3
166.02670	1.7
171.10287	2.2
175.03998	2.3
177.01895	6.4
177.05553	7.6
178.02757	10.1
179.03474	5.8
179.07201	2.8
180.04285	11.0
181.05055	5.2
191.05635	2.2
192.04288	3.3
193.05064	27.9
194.05821	2.5
195.06631	100.0
196.07045	3.4
203.03427	1.7
203.07089	1.5
205.05096	2.4
209.04514	9.5
211.05980	1.8
227.03560	3.7
239.06813	1.1
241.04996	1.4
243.03108	1.3
246.07465	9.7
246.57547	1.4
255.02942	2.8
256.03772	1.4
261.10962	1.4
270.08954	3.5
271.09866	2.6
284.03387	5.0
284.06461	1.4
285.04242	2.0
285.07693	2.9
291.15942	2.1
297.07693	2.9
299.09171	2.7
307.02316	3.5
329.10361	9.4
341.10226	18.5
343.11874	15.3
344.12308	1.6
357.09854	3.9
359.11243	3.5
359.15067	5.1
375.19855	1.7
387.23898	10.1
389.12204	12.6
393.19305	2.8
423.14334	8.6
423.19547	1.5
525.23602	2.4
537.20801	6.1
549.12628	5.4
585.18481	9.1
586.19147	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	8.2
58.00551	3.6
59.01386	37.0
70.21085	3.6
70.46631	3.5
70.86443	10.5
71.01383	44.9
73.02940	7.7
75.00874	8.5
80.48425	3.4
83.01402	6.9
85.02943	12.9
87.00884	9.3
89.02454	53.5
99.00906	5.7
101.02433	33.8
111.04485	4.5
113.02462	29.6
119.03484	21.7
123.04481	5.5
125.02487	28.7
126.71664	4.3
131.03491	12.6
135.04523	4.8
143.03514	9.0
151.04018	6.1
152.30920	3.7
153.67766	3.8
159.03075	5.8
160.52739	3.5
161.04520	28.1
163.03955	4.4
167.03513	4.0
173.04604	5.7
175.04054	5.3
177.01865	5.1
179.05612	93.8
191.05655	3.6
221.06688	64.1
263.07724	89.2
289.07132	4.2
297.13263	5.4
341.10773	5.8
428.36267	4.8
531.24469	8.9
549.25562	100.0
550.25610	7.3
585.14850	7.0
585.23071	68.9
586.23651	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.3
75.13099	0.9
78.82650	0.8
87.85041	0.8
89.49670	0.7
99.04533	28.1
101.06090	15.8
107.41174	1.0
142.28551	0.7
160.84280	1.2
178.23441	0.8
185.02263	1.1
210.07095	0.8
213.05533	1.0
224.04758	1.0
229.38960	1.0
237.05566	1.0
239.07214	1.5
241.04988	1.3
246.23344	0.9
249.05815	1.3
251.07196	1.1
253.05057	1.9
254.05824	3.7
255.06490	1.3
264.04395	5.3
265.05054	9.1
267.06583	1.3
269.01025	2.4
269.04456	1.0
269.08328	1.3
279.06638	2.6
280.04004	0.9
281.04758	0.9
281.08133	1.2
282.05545	2.0
283.06238	1.6
284.03329	1.1
292.03864	0.9
293.04605	6.7
294.05096	1.6
295.06158	2.5
296.06909	2.2
297.07681	7.7
299.05453	1.2
307.06274	1.6
308.06964	3.1
309.07751	2.9
310.04752	2.5
310.08105	1.1
311.05630	2.2
311.08960	1.3
323.05637	1.5
325.07214	19.0
326.07742	1.7
337.07227	3.7
338.08142	1.0
339.08624	2.2
340.09402	1.3
351.08801	1.0
353.06696	21.5
353.10822	1.7
354.07135	1.3
361.06293	1.0
367.08160	1.8
368.09021	10.1
383.11389	100.0
384.11786	6.5
483.17001	1.2
485.18237	40.1
486.18524	3.9
585.22778	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.0
61.97710	0.9
70.52183	1.2
70.52501	1.7
71.01382	1.9
79.59148	0.8
87.99358	0.8
89.02448	2.9
89.91798	0.9
93.03465	4.2
101.02449	1.6
112.51202	0.8
119.03537	0.9
121.02966	5.5
122.03753	14.9
123.04530	1.3
131.03519	1.7
132.02122	0.9
133.02907	1.4
135.04503	1.1
136.01654	1.8
137.02460	1.3
149.01285	1.9
149.02460	37.2
150.03241	96.1
151.03635	4.5
164.04803	8.2
165.05582	100.0
166.05920	3.5
176.70775	0.9
179.07094	1.3
180.04292	7.3
191.05554	1.4
195.06630	55.6
196.07004	1.4
251.12991	1.0
268.57071	0.9
269.08261	1.1
270.08878	2.6
279.61417	0.8
283.09689	2.4
285.11368	2.4
298.08472	1.2
299.09332	1.7
299.12820	1.7
301.10959	0.9
310.08484	0.9
314.07996	2.5
325.10562	1.3
326.07745	0.9
326.11652	0.9
327.12305	4.2
328.13281	6.9
329.10272	7.7
330.11087	0.9
341.10391	6.4
343.15454	2.0
344.12732	6.7
356.12680	2.5
359.15015	17.7
360.15436	1.2
371.15027	15.8
376.62592	1.0
394.06302	1.0
463.17709	1.4
492.18137	1.6
507.20071	9.1
519.20508	1.5
522.19263	1.3
537.21350	41.9
538.21649	5.4
585.23157	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03563	0.7
51.11350	0.6
51.88342	0.6
61.98828	2.4
70.64404	1.0
70.64725	0.9
78.95891	1.0
82.76682	0.6
84.54279	0.6
84.55085	0.5
88.69229	0.7
96.97015	0.9
99.92595	100.0
100.92599	4.2
100.93275	1.1
115.92091	26.4
116.92873	46.9
117.92908	1.7
132.92320	1.2
169.93161	6.0
171.94713	11.3
172.95465	1.2
325.53036	0.7
485.32822	2.4
487.33606	1.2
540.21814	0.7
567.24426	2.3
585.25269	60.1
586.25366	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61698	1.3
61.98548	2.0
61.98828	17.5
78.89555	1.5
78.95898	1.4
84.02826	1.3
98.22610	3.5
99.92586	54.0
115.92081	21.1
116.92867	100.0
117.92850	4.9
198.68503	1.5
226.23587	1.4
310.55411	1.6
485.32806	7.1
567.24054	4.4
585.25244	80.0
586.25952	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	26.1
59.32193	1.0
61.98841	2.3
69.97346	1.2
70.25214	2.8
70.25565	1.8
71.01386	7.6
72.99307	2.5
75.00883	24.5
79.84655	1.1
85.02955	3.0
89.02454	9.6
93.03480	2.8
97.02982	2.6
98.21982	1.1
101.02464	5.1
113.02444	1.7
125.02478	3.6
131.03502	8.9
133.02957	2.9
134.91710	1.1
135.04523	1.3
137.06111	10.3
143.08693	5.0
149.04568	5.9
151.07622	2.7
158.31949	1.1
159.96402	1.1
171.11771	2.9
177.01976	1.1
187.14941	68.1
188.15219	2.9
191.05667	9.5
197.82693	1.1
209.11768	1.4
211.13354	1.2
223.83109	1.1
231.13919	100.0
232.14265	5.1
293.08868	3.8
332.08447	1.1
351.07529	1.7
423.18176	1.5
443.24579	2.1
471.24066	1.7
525.23584	8.1
529.23883	1.5
547.24762	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44807	2.5
59.01093	5.5
59.01383	100.0
61.98840	16.4
67.79945	2.4
68.33051	3.2
69.03437	6.3
70.93307	5.3
71.01369	9.0
78.29320	2.9
83.05006	4.5
86.03875	2.7
86.60311	2.5
87.00861	4.3
90.44852	2.4
92.73605	2.9
95.05062	3.8
97.02963	2.8
109.06607	3.3
111.04529	8.7
111.08169	40.6
123.04543	3.9
139.07642	8.5
140.57095	2.8
177.47829	2.8
183.06639	68.1
184.07005	4.0
191.05621	9.4
299.17111	3.5
311.16446	4.5
390.98920	2.7
401.24698	3.3
419.25778	5.2
441.19006	3.8
453.26370	7.0
481.25830	13.9
496.00842	3.3
525.25037	51.5
526.25677	5.7
543.22321	12.9
574.13861	3.0
585.30194	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2707
Annotation	Yuanhuadine
Peak:m/z	Relative Intensity
50.55432	1.1
52.48911	1.2
59.01381	100.0
59.16074	1.1
61.98832	52.2
62.38663	1.2
64.82269	1.1
69.03416	1.4
69.08466	12.0
72.99297	1.4
75.00867	1.9
78.80916	1.4
79.05485	1.6
81.29070	1.3
83.05020	6.4
85.02930	1.2
87.97331	1.2
88.98812	3.4
89.02437	1.5
97.02963	3.0
98.22555	2.4
99.00801	1.3
99.04494	2.0
106.13934	1.2
109.02937	2.3
113.02442	2.2
123.04540	2.1
125.02426	2.1
127.03994	5.4
130.40001	1.2
135.04529	1.8
135.56396	1.3
137.02434	2.3
139.07620	2.2
151.03992	2.6
151.07628	1.2
209.64397	1.5
215.06955	2.9
301.07233	3.5
349.21484	1.5
350.26617	1.4
369.16937	4.8
371.18704	1.5
393.20755	4.4
423.18085	11.5
427.21570	1.8
463.24933	2.8
507.23822	3.8
525.24890	29.9
526.25146	4.9
529.28064	1.3
585.26221	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.7
59.01384	100.0
60.01710	1.7
61.98829	10.4
66.61845	1.0
69.01128	10.9
69.03452	1.3
71.01390	2.7
73.02972	1.0
87.00864	1.1
89.02442	1.9
99.04521	1.4
101.02422	1.7
108.58218	1.3
125.02437	2.0
135.04587	1.8
137.06084	1.6
139.07664	17.5
151.04044	1.3
151.07616	1.2
163.07628	1.0
171.10524	1.1
173.04614	1.0
175.04057	1.1
175.07796	1.1
191.05592	2.8
209.11816	2.2
217.06741	1.3
243.93312	1.4
345.41107	1.1
353.21121	1.7
385.16550	5.0
385.25845	2.0
398.37793	1.2
401.24823	2.7
409.48581	1.4
415.21219	4.4
427.22354	1.2
434.58450	1.2
437.25848	1.1
445.23917	2.7
463.24945	2.9
481.25668	4.6
507.23831	3.5
525.25024	28.6
526.25134	4.3
542.24347	1.4
585.24548	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2711
Annotation	Yuanhuadine
Peak:m/z	Relative Intensity
53.79792	0.7
54.90315	0.7
59.01382	100.0
60.01704	0.9
61.98835	3.9
69.00815	3.0
69.01236	4.9
69.03468	0.8
75.00872	17.5
83.05024	1.1
89.02449	0.7
94.23748	0.7
95.05046	0.9
97.02988	0.8
106.57095	0.6
109.03001	0.9
133.02971	0.8
139.07716	1.3
151.04025	1.2
151.07666	1.4
177.01947	0.9
277.19720	0.9
402.61511	0.8
423.17987	3.7
525.24939	6.7
526.56470	0.7
585.27808	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05225	3.9
54.02672	5.0
56.95267	4.5
58.68542	4.6
59.01386	100.0
59.55832	4.4
60.13531	4.3
61.98860	7.9
69.03466	24.8
69.21940	43.1
77.60868	4.9
80.87947	4.2
81.03503	4.6
83.05035	58.8
87.00972	5.3
97.02969	13.7
98.21796	10.5
99.04521	8.3
107.05040	7.5
111.08161	7.2
113.02464	23.3
118.84792	5.2
119.00414	4.6
119.08665	5.0
121.06626	8.2
125.02399	7.0
127.04034	60.6
133.06418	5.2
135.04538	19.1
137.06105	5.8
153.05586	22.5
211.14957	6.9
229.16124	4.9
239.16959	5.0
282.92865	4.5
290.01895	4.8
307.17191	8.8
329.67548	4.7
331.20563	7.2
346.24045	4.7
349.21747	11.5
350.73947	4.6
369.17114	13.8
371.19095	9.4
383.23795	5.3
393.20834	17.1
397.20276	11.6
401.25168	5.8
419.25699	7.9
427.22696	9.9
499.87726	6.0
525.24792	7.9
526.24548	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	16.5
61.98821	9.7
69.04095	100.0
75.82027	8.4
77.86395	8.9
96.89285	10.6
98.21677	15.9
103.01485	12.7
106.96819	8.5
139.07536	8.2
156.57028	10.0
159.02057	8.5
604.78339	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29375	69.5
61.98837	88.4
66.33121	79.4
71.31827	100.0
76.16187	66.6
78.63129	63.4
85.53310	66.7
86.86789	78.5
115.92099	91.9
117.15780	71.8
158.58415	88.0
243.21808	71.3
243.27417	81.6
327.83221	76.1
358.66684	87.3
389.46683	77.7
405.41040	71.8
406.34021	81.5
543.21863	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44367	0.9
56.24960	0.9
58.30914	0.9
64.57346	0.8
69.21063	1.8
69.21458	7.7
72.52872	0.9
83.47388	1.0
91.75809	1.1
142.07446	1.0
142.60635	0.9
199.17043	9.3
268.03903	1.7
278.36050	1.1
281.08057	2.0
297.04214	1.1
297.07684	3.1
309.07672	8.4
310.08444	1.7
324.09967	6.3
325.07224	4.0
325.10696	1.6
339.12338	8.6
340.09525	1.9
340.13174	2.0
354.14685	13.9
355.11859	9.7
355.15677	2.2
370.14178	9.5
385.16577	100.0
386.17026	6.7
585.33997	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69052	0.2
55.26697	0.2
59.01357	0.3
61.98834	100.0
69.31219	1.7
87.10575	0.2
89.02456	0.2
92.96136	0.2
98.22491	0.4
104.11758	0.2
113.40661	0.2
199.09787	1.2
209.44202	0.2
238.01221	0.2
361.14972	0.5
410.46503	0.2
469.71503	0.2
499.61606	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41422	4.8
53.21039	5.3
54.82121	5.4
59.01379	56.9
61.98838	40.1
62.48132	5.4
68.57697	5.8
69.03448	12.2
70.32036	6.3
71.31647	8.8
72.99319	100.0
93.03485	13.2
95.05011	7.9
97.02961	22.0
125.02499	11.1
134.93307	6.8
136.19743	6.7
137.06093	25.0
142.86319	6.6
161.06189	6.5
168.49301	5.9
171.10312	8.8
191.05632	18.4
209.11879	10.5
266.19104	5.7
365.14032	9.1
371.20840	5.8
387.15982	6.2
415.19272	7.7
433.20197	65.0
434.20627	31.9
451.21286	74.2
507.20099	39.7
508.20740	16.3
525.21521	32.9
526.21344	8.2
542.11578	6.5
543.22644	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32296	29.3
51.98515	34.6
59.01369	78.9
61.98822	98.4
63.81422	31.7
65.28888	29.5
70.93026	54.5
78.41153	29.0
84.66016	28.8
137.06123	48.1
137.52573	31.6
139.33371	32.0
249.15067	44.1
305.11658	35.3
433.16260	39.6
451.17789	55.9
463.21313	65.7
525.21466	65.4
543.22455	100.0
551.24951	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98844	17.6
62.25684	11.6
72.99316	100.0
74.37019	8.9
97.02952	27.4
98.21752	19.6
137.06093	42.1
161.09734	12.2
162.03906	9.4
208.51779	10.2
259.09521	10.2
343.21176	10.2
346.60980	10.3
354.61832	9.7
369.46497	9.6
371.20227	10.9
379.19299	12.6
389.21570	19.3
405.16064	15.4
407.18210	19.1
415.19077	16.2
419.22079	14.1
421.19644	10.5
423.75977	9.6
424.18439	16.8
425.43283	10.0
433.15768	16.0
433.20773	16.8
441.25504	11.7
445.20319	13.4
451.15961	14.2
451.22275	70.1
452.21362	18.5
463.21289	64.6
481.22351	37.8
510.25681	10.8
525.21014	32.9
543.22437	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37833	4.5
59.01369	18.5
59.82080	4.4
61.98833	40.0
62.01274	4.3
70.81055	6.3
71.01376	6.0
72.99307	100.0
86.85226	4.5
87.00903	5.2
89.02453	12.9
97.02948	5.3
122.08004	5.0
125.02477	6.5
130.50621	4.8
149.04549	7.5
152.00037	5.4
206.22917	4.7
231.13950	7.5
232.14180	6.8
233.15462	71.4
244.79671	5.5
389.17908	6.1
433.20334	8.1
451.21356	63.9
525.21344	15.5
543.22443	50.2
591.24170	6.9
609.83051	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.23
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.7
61.98829	9.2
64.53233	3.2
73.02965	8.3
77.55308	3.6
97.70956	3.2
98.21727	6.7
109.06642	3.9
111.88171	3.4
112.14022	3.5
219.98013	4.4
294.53815	3.5
352.82135	4.0
441.19321	14.5
543.22418	100.0
544.22925	11.4
611.88678	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78460	2.6
53.78737	2.6
55.62701	2.4
57.03449	20.6
59.01376	8.9
61.98830	15.8
66.10849	2.9
71.01402	14.0
71.31239	4.6
73.02939	3.5
85.02935	4.4
99.00889	5.4
101.02458	10.8
112.59254	2.8
113.02450	7.6
116.92086	2.6
124.65782	2.6
125.02412	5.0
148.91049	3.7
149.09727	100.0
161.04564	9.2
177.05388	3.0
191.05542	3.5
204.93817	2.8
249.14993	24.9
353.16092	3.0
357.91934	3.2
407.18793	3.0
443.19275	52.5
452.27252	2.7
485.20395	21.5
525.22528	5.1
543.22296	15.0
587.23151	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.23
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50609	36.6
58.43615	39.2
61.98834	87.7
70.12222	44.1
70.54511	62.7
72.99310	100.0
85.64158	42.7
85.64677	39.5
91.36990	35.7
105.27277	41.3
137.34663	39.9
149.04745	43.2
164.77429	51.6
205.57094	42.6
209.11874	87.2
222.32820	43.3
244.07259	40.7
276.46735	50.6
318.08981	38.7
451.21298	60.1
534.95099	50.6
543.22968	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
60.44932	0.2
61.98832	100.0
71.01402	0.6
72.06061	0.2
73.02950	0.2
80.91700	0.3
89.02477	0.3
99.69756	0.2
101.02505	0.3
109.02958	0.3
113.02483	0.4
128.25276	0.2
135.04214	0.2
161.09735	0.2
178.02682	0.2
179.10825	0.6
180.11232	0.3
181.12410	0.2
191.05602	0.2
193.05130	0.5
194.05333	0.2
203.37694	0.2
211.56277	0.2
218.95525	0.2
223.09738	0.9
224.10201	0.9
225.11357	0.6
226.11717	0.2
276.90231	0.2
386.15378	0.4
387.16153	0.3
388.17175	0.2
455.65726	0.2
499.72787	0.2
547.18140	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99207	0.7
57.03445	1.1
59.01382	100.0
60.01717	7.8
61.98831	10.4
69.03484	0.8
70.12866	2.4
71.01398	1.4
74.99106	0.8
83.05054	2.2
89.02457	1.4
93.48521	0.8
100.04792	0.6
109.02943	0.9
111.04572	1.4
121.06546	0.7
123.04563	0.7
124.30431	0.7
125.09756	1.6
137.09723	0.7
139.07658	23.5
140.07977	1.3
151.07692	2.6
169.08716	1.0
171.10248	0.8
187.77629	0.7
197.11882	1.1
213.16704	0.8
313.48779	0.7
370.17557	1.4
424.18701	2.5
481.25922	3.7
499.27228	3.1
525.25964	0.9
526.25342	5.9
527.25958	1.3
543.25934	12.2
544.26733	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17692	2.9
59.01376	23.9
61.98518	4.4
61.98830	64.8
69.03465	2.8
69.12029	3.7
69.12305	7.5
69.12711	21.9
69.50433	3.0
71.01388	16.8
73.02946	7.4
78.83358	3.2
81.03468	3.2
85.02963	6.4
89.02474	17.3
98.22596	3.7
99.00880	7.0
101.02433	6.7
104.83549	2.9
105.07127	4.7
109.02946	5.4
111.08113	3.7
113.02437	5.8
123.08151	4.0
125.02457	5.0
131.03552	4.3
135.04559	5.9
139.07632	5.0
142.36284	3.0
149.04565	6.0
150.03188	9.7
151.03766	3.3
151.07617	5.3
161.04567	5.2
165.05591	7.6
165.56924	2.8
173.04582	3.9
191.05571	6.3
195.06636	6.0
228.10310	3.5
249.14938	13.2
341.06778	3.9
508.20496	6.0
525.24615	4.1
541.24713	3.6
543.25970	100.0
544.26074	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17692	2.9
59.01376	23.9
61.98518	4.4
61.98830	64.8
69.03465	2.8
69.12029	3.7
69.12305	7.5
69.12711	21.9
69.50433	3.0
71.01388	16.8
73.02946	7.4
78.83358	3.2
81.03468	3.2
85.02963	6.4
89.02474	17.3
98.22596	3.7
99.00880	7.0
101.02433	6.7
104.83549	2.9
105.07127	4.7
109.02946	5.4
111.08113	3.7
113.02437	5.8
123.08151	4.0
125.02457	5.0
131.03552	4.3
135.04559	5.9
139.07632	5.0
142.36284	3.0
149.04565	6.0
150.03188	9.7
151.03766	3.3
151.07617	5.3
161.04567	5.2
165.05591	7.6
165.56924	2.8
173.04582	3.9
191.05571	6.3
195.06636	6.0
228.10310	3.5
249.14938	13.2
341.06778	3.9
508.20496	6.0
525.24615	4.1
541.24713	3.6
543.25970	100.0
544.26074	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	17.8
61.30725	2.1
61.98838	25.9
62.06710	2.4
66.43639	2.1
71.01373	10.3
72.99313	3.3
73.02943	3.0
83.05043	2.7
85.02958	2.9
89.02441	8.2
89.23192	2.5
97.02971	4.0
101.02451	5.3
125.02409	4.8
131.03496	3.2
137.06055	3.6
149.04553	3.1
163.11327	5.1
171.10283	10.7
178.26141	2.4
191.05537	2.9
197.11845	7.2
209.11855	100.0
210.12154	5.3
219.25444	2.5
227.12958	14.1
228.47444	2.5
233.15471	40.4
237.11394	2.3
245.19160	3.7
248.44846	2.6
253.09308	7.8
289.18076	18.1
290.11777	2.3
291.19757	11.6
293.08701	4.3
307.19101	15.5
543.22290	8.6
548.26056	3.8
550.27380	3.2
551.02460	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56712	12.6
56.36506	12.5
62.38324	13.7
71.00080	22.6
74.59328	13.1
78.95895	77.1
79.84278	15.1
86.75215	17.1
144.12875	16.1
152.99580	65.6
171.10254	79.0
279.23239	72.8
307.09583	31.0
324.09906	16.0
325.10519	34.4
336.39380	16.6
340.12674	29.9
342.80328	14.9
355.11792	27.4
356.12234	37.5
385.16675	50.2
386.16919	100.0
403.76413	13.2
550.48303	65.0
551.48267	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69018	0.3
61.98811	0.7
69.36281	1.1
79.95758	0.7
87.00917	0.3
88.98758	0.2
92.84003	0.3
96.96020	21.3
108.02157	0.6
121.02975	0.3
123.04530	0.8
135.04488	0.3
136.01665	0.5
147.51505	0.2
149.02423	0.9
150.03212	1.2
151.04044	0.8
159.67885	0.2
165.05537	0.8
167.03473	0.4
168.20464	0.2
187.06667	0.3
190.12019	0.3
191.05602	0.6
195.02946	0.6
195.06651	0.5
223.69490	0.3
249.08028	100.0
250.08354	4.3
281.61823	0.3
298.51904	0.3
322.27518	0.3
338.43906	0.2
574.89551	0.3
588.01581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04710	0.7
51.55252	0.7
57.10452	0.7
59.01381	24.3
61.86724	0.7
61.98823	8.0
71.01382	6.6
72.99310	1.2
73.02950	1.8
74.99081	2.6
75.00876	24.7
78.95875	0.8
85.02944	1.8
89.02451	8.4
89.84074	0.7
95.05019	0.8
97.02967	0.8
98.21721	1.3
98.22417	4.8
99.00898	1.5
99.04534	0.8
101.02441	4.8
109.02946	1.1
119.03475	0.8
121.02913	0.7
125.02429	3.1
131.03529	7.2
132.03809	0.7
137.06078	1.0
139.07602	1.1
142.41357	0.8
149.04578	6.0
151.07698	1.0
163.98053	0.7
171.10294	4.6
173.04820	0.9
177.01997	0.8
189.16486	3.3
191.05603	6.1
197.11852	3.7
233.15466	100.0
234.15785	6.3
253.09218	0.8
293.08823	3.2
301.14227	1.2
338.62897	0.7
410.89719	0.7
425.19711	2.3
490.63519	0.8
527.25781	8.8
528.25549	1.0
542.85748	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68951	1.7
58.36911	2.0
61.98840	9.0
78.95927	3.7
83.96617	1.8
85.35378	1.9
96.96934	2.0
99.92591	100.0
100.92610	3.2
115.92090	35.6
116.92103	2.7
116.92871	52.7
117.92895	3.5
119.05024	5.2
151.03159	2.0
155.95206	3.8
171.94762	5.7
176.65477	2.1
509.32687	2.6
525.29944	13.8
546.15436	2.3
557.25281	2.8
569.25818	49.5
569.34821	3.3
570.25970	5.5
587.26813	94.1
588.27466	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09550	6.0
78.95911	0.8
97.45807	0.8
99.92589	15.0
100.93381	3.4
115.92087	100.0
116.92080	2.9
116.92895	5.1
118.89980	0.7
126.52799	0.7
132.92426	1.7
136.88539	0.8
143.13574	0.9
143.95149	0.7
148.71468	0.7
169.93147	1.5
171.10327	1.0
182.88205	0.8
206.61462	0.7
278.61526	0.7
279.23547	0.9
525.26837	5.1
539.24896	3.4
543.27704	1.2
557.25775	35.1
558.25861	6.5
569.25714	1.1
587.26459	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27621	1.3
61.98827	1.9
70.35203	1.1
77.32018	1.1
78.95919	2.5
80.22673	1.2
83.05048	1.5
85.85407	1.4
87.03114	1.0
93.61326	1.3
96.96960	3.3
98.21739	3.4
99.92596	52.7
100.93371	1.6
111.04556	1.6
115.18055	1.2
115.92084	28.9
116.92873	67.6
117.92896	2.2
171.36172	1.4
176.38744	1.2
185.45821	1.2
190.10449	1.3
192.20311	1.3
200.04982	1.2
202.77373	1.1
211.96010	1.2
229.36407	1.7
388.13522	2.0
410.06284	1.2
479.18857	2.0
481.20657	1.5
491.32657	1.2
510.21207	1.4
525.29858	3.6
539.24615	2.4
557.25641	3.4
569.25800	43.3
570.25897	6.5
587.26825	100.0
588.27142	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
57.03448	1.8
58.00582	3.7
59.01382	100.0
60.01722	0.9
61.98513	1.3
61.98828	18.9
69.03450	1.8
69.17547	1.5
69.17954	5.5
71.01385	56.9
72.99313	4.7
73.02960	5.8
74.99099	1.3
75.00877	1.2
83.01413	3.8
85.02953	10.3
87.00898	4.0
89.02451	91.7
90.02799	0.9
94.98042	0.8
95.01357	0.8
97.02962	1.1
99.00890	6.4
101.02451	40.4
113.01713	1.5
113.02454	14.1
116.92848	1.2
119.03509	6.4
125.02422	4.2
129.01962	2.3
131.03510	66.4
132.03790	1.3
135.08073	0.8
137.06059	1.2
137.09653	1.1
139.07635	3.5
143.03534	1.3
147.43471	0.7
147.71156	0.8
149.04564	73.1
149.09731	1.8
150.04855	0.9
151.03940	0.9
151.07556	0.9
153.01974	0.8
161.04530	1.7
173.04547	2.7
191.05612	43.0
192.05879	1.7
221.06694	2.5
251.07715	2.3
251.16562	2.7
281.08813	0.9
283.13559	0.9
291.03326	0.8
293.08578	1.0
311.09946	1.9
395.20761	1.8
443.19351	1.3
508.24490	1.0
527.26263	4.4
544.26270	2.7
569.24231	1.1
587.07831	1.5
587.25146	3.3
590.79266	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56002	1.6
52.71382	1.7
59.01384	71.7
61.98837	40.3
69.03454	2.0
69.27619	1.8
69.55607	4.9
69.56020	5.6
70.07586	1.7
71.01389	48.1
72.99300	5.5
73.02953	11.1
75.00867	2.1
78.95914	2.0
83.01407	8.9
85.02953	15.7
87.00875	3.2
89.02454	44.9
92.52977	1.6
95.01391	2.6
97.02945	5.3
97.80296	2.0
98.22139	5.9
99.00900	5.5
101.02455	35.5
110.52103	1.9
113.02466	12.2
119.03519	4.5
125.02453	9.5
129.01950	3.0
131.03528	28.4
143.03510	4.4
149.04565	15.1
161.04578	6.0
163.06146	4.0
171.10277	5.0
180.83778	1.8
187.14955	2.1
191.05627	16.6
197.11845	5.1
205.07068	1.9
231.13921	3.1
233.15477	100.0
234.15749	7.3
275.20172	3.0
293.08710	17.0
293.21103	2.0
381.22833	16.5
527.28918	34.0
567.63043	1.8
587.30731	69.4
588.31042	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78089	0.9
59.01379	100.0
61.98832	13.3
69.10904	1.6
69.11308	9.4
69.35992	1.1
71.01386	1.1
73.02956	1.2
75.00872	12.1
78.38580	1.2
85.02968	1.5
89.02508	1.1
95.05054	1.3
98.22476	2.1
99.04532	1.9
108.02200	1.1
119.08683	2.5
121.06579	1.6
123.04496	1.4
137.09734	8.9
139.07668	3.0
151.07643	8.9
155.07095	1.3
170.24417	1.1
171.10217	3.4
197.11850	2.8
453.26456	3.8
483.27432	2.0
514.00934	1.1
527.26477	52.0
528.26648	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98827	5.2
69.02954	8.9
71.01361	2.0
72.55760	0.8
72.99326	0.9
76.79556	0.8
89.02456	2.3
94.61253	0.8
101.02455	1.0
105.07074	1.1
131.03505	1.1
133.97556	0.8
137.06119	1.0
139.07671	18.2
149.04590	0.9
185.27611	0.8
189.37488	0.7
233.15463	19.7
245.11496	0.9
246.13727	0.8
293.08801	2.7
308.73724	0.9
425.19244	2.2
506.46716	1.0
527.26611	17.5
528.26880	2.2
583.32574	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15902	2.5
57.79623	2.7
87.92525	4.6
88.98848	3.0
93.03475	3.6
98.21833	8.7
103.92040	100.0
104.92072	3.3
108.91525	3.6
122.89446	36.5
124.89155	10.5
129.02080	2.8
161.27110	3.2
191.05614	25.5
211.14964	3.2
250.58946	2.7
464.18484	2.9
493.17065	3.5
511.13406	8.2
529.14459	19.2
587.18237	86.9
588.17792	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98833	4.9
69.02476	4.1
69.02896	3.3
75.00876	1.0
77.49062	0.6
83.05057	1.1
83.91582	0.7
87.00896	3.1
95.69968	0.7
98.00127	1.5
99.04532	1.4
101.19353	0.7
109.06652	1.0
131.62196	0.7
141.02086	0.7
147.45168	0.6
153.05627	2.3
261.46106	0.8
267.42249	0.7
335.13324	0.7
473.59717	0.8
527.26599	2.1
546.56146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69616	5.3
59.01382	100.0
61.98838	53.0
69.03429	5.4
70.04594	15.7
70.45048	5.7
75.00903	11.2
85.02949	12.4
87.00872	6.4
97.06568	6.4
121.02981	12.3
146.26718	5.0
158.65981	5.2
171.07280	4.7
191.95082	5.4
192.67943	4.8
202.97482	8.5
272.22263	5.0
341.17450	8.8
361.21350	5.3
473.06149	6.8
499.04504	15.0
527.26721	31.4
587.05609	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88424	6.2
59.01383	38.6
61.98838	100.0
73.08788	6.4
87.00894	10.4
92.97499	12.6
157.81413	5.9
162.75664	6.2
202.81422	6.6
293.22607	9.7
355.23578	6.6
458.67767	7.5
480.55167	7.7
527.26678	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15194	1.2
58.58760	1.3
59.01383	73.0
61.98826	8.0
62.58401	1.1
62.69625	1.5
66.82689	1.3
66.87716	1.2
69.11057	13.8
69.55232	1.3
72.99320	4.0
75.00880	100.0
83.38205	1.3
98.98577	1.5
119.98251	1.3
163.35283	1.4
183.33681	1.5
206.90675	1.3
527.26337	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49355	0.5
50.91176	0.4
57.03441	0.8
59.01386	100.0
59.90990	0.5
61.98833	1.5
69.03466	1.8
71.01391	0.9
71.32211	0.6
71.32594	0.6
71.79852	0.5
81.96163	0.5
83.01363	0.4
83.05025	1.7
89.02483	0.6
89.36359	0.5
91.05368	0.5
96.95998	0.5
97.02976	1.8
99.04548	1.1
101.02466	0.6
107.05083	0.8
109.06578	0.8
111.04509	0.7
121.06622	0.6
125.02472	0.6
133.06540	0.5
135.08150	0.6
139.07654	0.8
151.07683	0.9
151.11357	0.8
163.11241	0.8
166.06358	0.7
173.89328	0.5
175.11302	1.1
187.11290	1.1
189.09222	0.7
191.10783	0.6
193.12373	1.0
203.08183	0.7
211.14810	0.8
227.14468	1.2
283.17194	0.8
287.05698	0.5
324.23679	0.5
329.87207	0.5
335.47647	0.5
373.25543	0.7
385.25397	1.0
391.26544	0.8
403.26352	0.7
421.27588	1.0
463.07944	0.5
465.26401	0.9
483.27576	6.5
484.28076	0.8
509.25723	0.6
527.26538	68.6
528.26910	8.6
549.54132	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17363	0.8
57.03453	1.5
59.01385	100.0
61.98825	7.4
64.91296	0.8
69.03459	1.0
71.01378	2.4
71.32034	0.9
71.32429	1.4
73.02989	0.8
76.64948	0.8
80.91695	1.1
83.05012	1.1
85.02960	1.6
89.02431	2.5
101.02427	2.4
101.96724	0.8
109.02948	1.5
119.03513	1.1
121.02983	3.2
122.03741	3.0
123.04514	1.5
125.02467	3.5
127.48233	0.9
128.08919	0.9
133.02954	1.8
134.03767	2.4
135.04572	1.5
137.02458	3.1
138.03114	0.9
148.90703	1.0
149.02428	3.8
149.04404	0.9
149.06108	3.2
150.03250	18.4
151.03932	0.8
153.65915	1.0
155.03534	1.0
161.02452	1.4
161.04385	0.8
164.04803	1.4
165.05582	20.5
166.05861	0.9
171.10336	1.1
177.05470	1.1
179.07173	1.6
180.04277	1.0
180.99040	0.9
181.05057	1.7
191.05630	2.3
191.07166	1.4
194.05856	1.1
195.06628	13.8
222.68977	0.8
237.92290	0.9
287.05728	1.6
335.08984	1.5
343.15460	3.1
359.14642	1.0
361.12906	1.5
363.17007	1.1
365.13715	3.9
376.15176	1.9
377.16193	1.1
391.17676	12.2
392.17749	1.7
403.26312	1.1
483.27563	4.0
493.53204	1.0
527.26532	46.6
528.26929	4.4
539.22888	11.1
587.25574	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63478	1.1
57.03420	1.3
59.01382	100.0
61.98834	22.8
69.03352	8.0
69.03768	3.4
71.01392	14.2
73.02973	2.7
73.82891	1.4
74.99085	4.1
75.00882	1.4
85.02951	4.3
87.00878	2.7
89.02454	11.0
97.02957	1.4
99.00874	6.0
101.02449	12.0
113.02417	2.1
129.01935	1.4
131.03522	26.3
139.07660	13.8
149.04582	3.3
171.10283	2.1
183.10316	2.3
191.05627	9.5
197.11870	1.5
233.15451	3.3
275.20337	2.4
277.21799	2.8
278.02521	1.2
286.02841	1.3
290.77460	1.3
293.21286	2.5
455.26678	4.3
527.26453	16.7
541.24310	1.5
549.48511	1.5
587.30713	93.3
588.31116	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98096	0.9
57.03470	1.7
58.00601	1.2
59.01382	97.1
61.98837	30.9
69.03469	1.5
70.62567	2.6
71.01390	22.2
72.99303	2.7
73.02953	3.7
74.99104	6.6
82.31788	0.9
83.01392	3.3
85.02956	7.7
87.00899	2.0
89.01949	1.7
89.02455	18.3
95.01379	1.3
97.02944	2.6
99.00912	6.3
101.02452	14.9
111.08162	1.0
113.02471	3.1
119.03552	1.6
125.02409	1.4
128.30209	0.9
129.01923	2.4
131.03523	33.9
139.07671	16.3
149.04546	2.2
171.10294	2.9
173.04550	1.1
182.85390	0.9
183.10260	2.8
191.05632	11.7
197.11813	3.3
275.20187	3.2
277.21808	2.9
281.04306	1.0
293.21280	3.0
323.73154	1.2
455.26480	4.2
527.26587	14.2
528.27136	1.9
587.30756	100.0
588.31049	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72389	0.3
59.01378	1.7
61.98833	100.0
63.65778	0.3
68.71374	0.3
68.81237	0.3
69.03745	1.9
69.04162	0.6
70.95445	0.3
73.12816	0.2
75.00905	0.5
87.00925	0.4
91.08231	0.3
137.09627	0.3
137.83430	0.3
171.10347	0.4
197.11858	0.6
216.98688	0.3
253.09348	0.6
283.44559	0.3
309.20941	1.0
430.69186	0.3
447.82513	0.3
465.97244	0.3
528.27173	0.3
545.27344	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43084	0.4
59.01377	3.1
61.98834	100.0
68.03329	0.4
69.04588	5.1
70.80915	0.4
72.08202	0.5
75.00876	0.5
82.14270	0.4
85.02948	0.6
89.02460	0.6
98.22572	0.7
125.02450	0.8
126.25166	0.4
133.66020	0.4
139.07712	1.3
147.62009	0.4
154.58617	0.5
182.51585	0.5
228.92538	0.5
364.82101	0.4
545.27594	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.1
61.98836	100.0
68.16743	0.3
69.09187	2.4
69.09603	0.6
71.01412	0.4
75.00877	0.4
98.22576	0.5
139.07681	0.7
171.10353	0.5
196.29597	0.3
208.33490	0.3
209.11961	0.8
233.15585	0.4
234.16078	0.4
489.34891	0.3
528.26703	0.5
529.28271	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.9
61.98834	100.0
62.98558	0.3
71.32425	0.5
74.03740	0.2
75.00893	0.6
90.87764	0.3
96.30374	0.3
99.98032	0.3
115.02032	0.3
169.00197	0.3
186.39133	0.3
278.92325	0.3
310.19827	0.3
414.60056	0.3
429.97211	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41524	0.7
59.01384	10.6
59.49742	0.6
59.60689	0.6
60.01727	0.8
61.98833	100.0
64.63364	0.6
69.13002	1.1
69.13405	4.7
69.48637	0.7
72.50139	0.7
75.00890	0.9
80.70519	0.6
85.02998	1.2
87.00848	0.9
87.93579	0.6
98.22557	1.4
120.99741	0.8
136.83357	0.7
183.18190	0.7
193.23883	0.7
314.19479	0.6
342.18192	0.8
355.83090	0.8
399.60608	0.8
528.26965	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.4
61.98833	100.0
67.83206	0.3
69.80917	0.3
75.00877	0.4
75.65643	0.3
76.06875	0.3
80.30100	0.3
107.06208	0.2
108.44600	0.2
112.58334	0.2
115.79118	0.3
116.92785	0.3
121.06490	0.3
139.26157	0.3
147.79225	0.3
185.30956	0.3
198.51601	0.3
234.15935	0.3
488.16046	0.3
509.25421	0.3
528.26709	0.4
529.29309	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95285	0.3
53.16811	0.3
57.31750	0.3
59.01389	6.6
61.98837	100.0
71.01389	3.8
72.99350	0.5
73.02972	0.7
85.02979	0.9
89.02458	5.5
90.85773	0.3
95.01447	0.3
99.04509	0.3
101.02457	3.2
105.92054	0.4
113.02464	1.8
119.03557	0.9
120.01294	3.1
124.01690	0.5
125.02459	2.2
131.03511	3.9
137.02530	0.3
139.07747	0.3
143.03482	0.4
149.04585	3.1
161.04591	0.7
171.10406	0.5
179.05629	0.5
186.15877	0.3
190.10146	0.3
191.05675	2.2
208.54045	0.3
209.11925	1.0
229.61060	0.4
251.16592	0.5
258.57071	0.3
299.04901	0.3
397.22308	1.2
525.24921	5.3
526.25555	0.8
528.26965	0.6
529.27472	1.0
545.28619	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97129	0.4
59.01379	3.5
61.98833	100.0
64.99091	0.3
67.31898	0.4
69.01146	1.3
69.01560	2.0
71.01388	2.2
72.99316	1.3
73.02963	0.6
85.02970	0.9
89.02469	1.2
97.02988	1.2
101.02478	1.4
109.37207	0.4
113.02486	0.8
119.85205	0.3
125.02496	0.6
131.91920	0.4
139.07710	0.4
149.04605	0.8
161.04593	0.7
212.47119	0.4
397.22318	4.1
483.69263	0.5
526.23267	0.4
528.26959	0.5
529.26465	2.3
545.24097	1.5
588.25562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68260	0.4
59.01384	1.5
59.42576	0.4
61.98835	100.0
62.89854	0.4
71.32310	0.6
75.00897	0.4
86.61745	0.4
101.30207	0.5
137.06184	0.6
139.09290	0.4
213.22604	0.4
217.26201	0.5
309.92685	0.5
437.67465	0.4
445.24319	0.7
463.24847	0.4
525.24725	0.6
529.28040	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59874	0.2
54.45583	0.2
59.01388	0.9
61.98835	100.0
66.71879	0.2
69.01154	2.2
71.01403	0.3
73.02936	0.2
89.02460	0.3
89.89887	0.2
89.93656	0.2
98.21732	0.4
101.02508	0.2
141.04158	0.2
199.36107	0.2
207.35724	0.2
227.50633	0.2
238.36407	0.2
265.14545	0.3
358.03882	0.2
397.22900	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66447	1.1
57.03442	1.6
59.01382	33.3
61.98835	100.0
66.57892	1.3
69.24544	5.3
69.24967	5.2
71.01386	20.9
73.02935	1.7
85.02959	3.8
87.00882	2.5
89.02454	21.8
95.05064	1.4
97.02939	2.0
98.22608	1.5
99.00915	2.5
101.02456	12.8
111.08134	3.5
113.02437	6.2
119.03504	2.9
125.02476	7.2
129.01788	1.2
131.03491	13.8
137.09741	4.1
142.10094	1.3
143.03467	2.3
149.04582	13.9
159.10300	2.3
161.04517	2.7
191.05600	7.5
209.11818	5.2
210.12164	1.7
251.16542	62.3
252.16914	2.6
293.08777	6.5
396.20920	1.3
397.22452	8.3
434.85883	1.3
457.33795	1.4
479.04636	1.5
510.25961	7.5
528.26361	4.6
529.26532	1.4
545.26355	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57528	0.7
57.03441	4.2
57.24426	0.6
59.01383	9.7
61.98835	21.7
64.10697	0.7
65.19498	0.7
67.94506	0.7
69.03459	2.8
69.12257	3.1
69.12675	3.6
71.01382	7.3
71.05014	1.8
71.73698	0.6
73.02944	1.3
83.01401	0.9
85.02946	1.2
89.02451	9.8
99.04546	6.5
101.02435	3.6
125.02469	3.0
126.02747	0.8
131.03513	4.0
142.32718	0.8
149.04581	4.8
149.09741	1.6
150.10042	0.9
159.64595	0.6
161.04541	0.8
166.13518	0.8
171.10291	0.8
191.05679	2.2
191.14474	1.1
251.16541	100.0
252.16856	5.3
293.08813	2.8
397.22272	0.9
466.27472	0.8
477.78040	0.9
545.26648	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51465	1.3
59.01385	13.3
61.98836	100.0
71.01402	2.9
72.99348	1.6
85.02967	7.0
87.00883	3.2
89.02458	5.3
101.02459	4.0
101.03156	1.2
125.06036	1.3
131.03528	3.1
133.35223	1.5
139.07674	14.8
149.04550	5.2
191.05597	2.4
542.96661	1.6
545.27637	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36273	2.6
57.03430	2.7
59.01386	33.2
61.98835	100.0
69.03453	9.6
69.50159	2.1
71.01375	5.4
71.05013	2.6
72.99295	5.1
74.72002	2.3
75.00880	8.8
81.03416	2.2
82.15778	3.3
83.05022	2.3
84.02183	7.3
85.02960	6.5
85.06585	2.8
87.00890	6.6
89.02454	2.8
95.05031	3.2
97.03001	2.9
99.04549	14.5
111.08200	3.3
113.06105	39.1
139.07690	20.2
140.89146	2.5
149.04604	3.0
171.10313	6.0
172.10637	3.8
197.11827	4.0
198.12175	4.4
228.47594	2.3
233.15512	10.2
234.15697	14.2
255.17871	2.9
271.20676	5.3
299.20224	26.7
343.19199	33.7
357.91495	2.6
373.20172	2.7
503.39737	2.7
528.26917	7.7
545.27350	3.7
567.31506	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	17.2
59.11494	7.9
61.98836	100.0
69.54679	21.1
69.55118	32.8
72.99326	13.6
83.13066	7.2
97.02999	10.3
122.49212	7.9
124.31028	7.4
134.70613	8.5
209.63860	8.6
303.03958	9.7
439.07809	9.0
589.22131	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2662
Annotation	7'-[1-(acetyloxy)ethyl]-7'-deoxo-2'-deoxy-3',4'-dihydroxyverrucarin A
Peak:m/z	Relative Intensity
57.03455	1.8
59.01384	10.6
61.98836	14.9
64.91621	0.3
67.01892	1.4
69.03463	17.3
69.61796	1.6
71.01376	1.3
75.00882	1.6
81.03459	0.4
83.05032	1.2
85.02957	2.8
89.02441	0.7
89.44965	0.3
90.92742	0.3
93.07123	0.4
95.05075	0.8
97.02960	77.5
97.06594	0.9
98.03291	1.6
98.21828	0.4
99.04546	0.4
107.05045	0.8
109.02993	0.4
109.06605	0.8
111.00910	1.0
113.02470	0.5
121.02965	0.7
121.06628	0.4
122.03767	0.8
123.04536	0.4
123.08150	0.6
125.06059	0.4
125.09731	0.4
131.03517	0.5
135.08217	0.6
137.06102	4.7
146.77756	0.4
149.06099	0.3
151.07645	0.7
163.07651	0.5
173.09676	0.5
187.07820	0.4
207.10368	0.4
209.11847	1.7
215.10884	0.5
233.11884	0.4
251.14384	0.5
253.12386	1.0
269.15729	0.4
274.80594	0.4
287.12878	0.5
289.17902	0.5
311.16580	2.2
312.16931	0.5
329.17517	0.8
371.18732	0.5
373.16858	0.4
389.20081	0.5
391.19058	0.6
407.20816	0.7
413.19870	1.1
431.20798	1.3
487.23456	0.5
491.22711	0.4
505.64505	0.4
511.23004	0.4
529.24280	6.6
530.24976	1.0
589.26520	100.0
590.26941	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	72.5
61.98849	19.4
66.10958	3.8
68.10645	3.7
69.01244	9.6
69.01643	33.8
69.27558	4.0
71.01386	50.2
72.99314	3.8
73.02945	16.6
83.01409	6.2
85.02970	27.5
89.02457	23.7
97.02981	7.1
99.00874	8.4
101.02451	32.6
110.73277	3.7
113.02494	21.3
119.03557	4.2
119.50932	4.4
131.03505	18.7
137.06061	6.1
149.04503	5.6
155.61171	3.7
159.02968	4.6
161.04559	30.0
177.69263	4.0
294.35989	4.4
397.22336	100.0
398.22800	5.4
407.18616	4.5
451.17593	7.2
463.21094	8.7
525.21277	5.3
529.26648	64.1
530.26642	7.1
543.22260	10.5
589.21326	5.5
603.43335	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04586	2.3
57.03432	2.7
59.01384	45.6
61.98833	100.0
63.57785	2.2
69.03477	2.7
71.01385	23.8
72.99291	3.3
73.02937	8.9
75.43921	2.1
85.02954	8.4
89.02455	15.4
95.01377	2.6
97.02957	7.0
98.22624	5.1
99.00880	2.8
101.02441	22.6
113.02443	12.6
125.02469	3.8
131.03531	5.9
137.02499	2.2
137.06128	3.1
149.04575	4.6
150.99820	2.6
161.04550	13.0
224.40405	2.2
293.08838	3.0
391.76285	2.5
397.22275	35.8
431.21133	4.2
499.45639	3.2
525.21918	2.7
529.26563	17.6
543.22351	4.9
547.24951	3.1
589.26202	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98836	19.1
64.09869	0.8
69.04358	6.6
69.04762	1.8
71.45620	0.8
72.99321	1.1
75.00893	1.0
78.95911	13.3
79.95746	3.5
85.02958	0.9
87.00903	0.8
89.02463	0.9
96.34142	0.8
96.96024	79.5
96.96953	19.9
114.90244	1.0
123.92370	0.8
139.07666	6.5
139.44774	0.7
143.10789	1.5
171.10284	1.0
209.11848	1.1
232.90767	0.7
255.13609	0.8
529.28217	8.4
530.29053	1.2
579.50458	1.0
589.30988	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.5
59.01382	100.0
61.98824	1.6
64.06281	1.0
69.02591	11.0
72.99298	1.5
73.94759	1.1
75.00874	4.8
85.02956	8.8
87.00891	6.7
97.06590	3.5
99.04488	1.1
117.95647	1.0
120.42606	1.3
123.08187	2.2
178.19638	1.0
182.49089	1.1
198.91196	1.3
219.29608	1.1
266.32108	1.2
299.20154	5.3
315.89169	1.3
343.19052	4.7
405.28003	1.4
439.28329	1.8
448.35599	1.1
483.92508	1.2
485.29105	2.0
498.98538	1.1
529.27997	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3017
Annotation	CHEBI:70547
Peak:m/z	Relative Intensity
54.01866	0.7
58.38014	0.7
59.01385	100.0
60.01744	1.0
61.39282	0.7
61.98837	58.6
69.02630	8.4
86.08964	0.9
89.02467	1.3
97.02979	1.2
99.04516	1.9
139.07689	1.0
145.32220	0.7
347.23846	1.2
467.27917	2.0
511.27237	1.2
529.28125	49.9
530.28546	6.4
598.63422	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.6
59.01382	33.9
60.99326	4.0
61.21038	2.0
61.98833	100.0
69.51189	6.6
69.51617	5.6
72.99354	2.1
75.00871	5.5
87.00866	3.4
88.98818	30.2
89.02442	13.6
99.04533	2.7
105.19128	2.0
108.09489	2.2
227.12854	2.3
244.76614	2.2
252.09496	2.1
287.22156	2.4
313.39832	1.9
447.57510	2.0
475.87729	2.0
515.30164	2.7
529.28101	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97610	0.7
55.84112	0.7
70.64276	1.0
70.64597	1.1
72.99300	2.0
75.00879	100.0
78.91902	0.9
88.76840	0.8
88.98824	1.8
89.02339	0.7
94.12639	0.8
103.74558	0.8
115.92066	1.7
122.89437	0.9
184.32561	0.9
211.36842	0.9
433.30673	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72497	0.3
58.58438	0.3
59.01381	11.5
61.98832	100.0
69.01971	2.2
69.02378	0.6
75.54118	0.3
113.33940	0.3
129.05606	0.3
317.79538	0.4
327.83054	0.3
418.73056	0.3
423.30273	0.3
451.21390	0.6
469.22485	0.6
488.82391	0.3
538.86523	0.3
573.50165	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15365	3.1
57.03436	4.5
59.01369	9.4
71.01371	10.7
71.31468	4.9
73.02959	3.9
75.82826	3.5
85.02956	7.9
89.02483	4.1
95.05054	9.0
101.02412	5.9
103.85098	3.3
109.02922	3.7
111.04519	9.6
113.02477	6.7
113.06068	9.3
121.06602	4.2
125.02433	8.6
137.06102	5.5
141.11800	3.3
142.46931	3.2
149.09764	5.7
161.04541	9.3
161.17638	3.8
169.41690	3.2
171.11777	4.2
189.12871	44.4
207.13934	7.1
251.12894	47.2
252.13171	3.9
295.11877	100.0
296.12271	5.6
557.35480	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98818	0.3
59.01378	0.8
61.98835	100.0
71.01393	0.4
75.00890	1.2
75.59293	0.2
85.02954	0.3
97.02959	0.8
121.03008	0.6
171.10266	0.3
191.05603	0.3
197.44867	0.2
209.11957	1.0
210.12257	0.3
261.11584	0.3
339.09055	0.3
488.03867	0.3
503.26608	0.4
567.24353	0.3
568.85315	0.3
590.32898	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07900	1.3
57.03445	4.3
58.37490	1.6
59.01385	25.2
61.98836	100.0
65.15006	1.3
69.12019	1.6
71.01385	16.8
71.32312	2.9
73.02957	3.6
75.52492	1.2
80.64542	1.5
83.01385	3.2
83.05032	6.6
85.02947	6.9
87.00886	1.5
89.02453	14.1
90.02834	1.5
93.03506	1.9
95.01423	1.7
95.05059	2.9
101.02441	12.5
111.00874	2.2
113.02438	7.8
119.03532	2.2
119.04982	1.5
123.04597	2.7
125.02445	5.8
131.03505	5.4
137.09628	1.7
147.04578	2.1
149.04547	6.8
153.05576	4.1
161.04533	6.5
171.10272	7.5
175.03998	3.1
186.97424	1.6
191.05591	5.8
201.11320	5.0
237.09184	2.3
251.16568	4.9
253.09042	2.4
253.18167	2.8
255.10040	2.2
278.53119	1.6
301.03519	2.2
398.22623	3.3
399.24023	16.9
447.22388	4.6
489.23303	1.9
529.20801	2.4
531.28180	3.6
547.21851	60.4
548.21985	8.2
591.26483	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.7
55.85050	0.9
56.02592	1.1
57.03445	1.3
59.01384	25.2
61.98838	100.0
70.53831	2.8
71.01395	17.5
72.99319	5.6
73.02947	4.4
75.00877	2.4
83.01398	2.8
85.02971	6.4
87.00903	1.5
87.09061	1.0
89.02454	13.9
93.03440	1.5
95.01390	1.4
96.96020	1.5
97.02964	2.6
99.00895	5.3
99.04559	2.2
100.38478	1.0
101.02451	15.1
107.01479	1.2
109.02921	1.9
111.00801	1.1
113.02483	6.3
117.03450	1.2
119.03517	3.7
119.04964	1.1
119.37011	1.2
120.01247	1.1
123.00905	1.2
125.02457	2.4
131.03506	8.8
137.06093	2.6
143.03490	1.1
145.02971	3.1
149.04591	6.1
149.31001	1.1
151.00415	1.6
161.04591	6.2
179.05638	1.6
191.05623	4.1
201.11314	1.8
206.63924	1.0
212.17880	1.1
227.09290	4.1
271.26181	1.1
285.04102	6.9
301.03558	3.8
397.22342	1.2
398.22745	5.0
399.23856	15.7
415.23383	1.5
469.84213	1.2
529.20538	1.7
530.26727	4.1
531.28235	9.0
547.21564	15.7
547.28644	1.6
548.21960	1.8
591.14410	1.2
591.24872	1.3
614.88080	1.2
619.47363	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37793	0.2
59.01388	1.0
59.51147	0.2
60.61759	0.2
61.98835	100.0
64.39371	0.2
71.01396	0.7
72.99326	0.3
75.00892	0.3
77.35068	0.2
89.02480	0.6
98.22191	1.4
101.02451	0.2
111.12956	0.2
125.02472	0.2
131.03571	0.3
141.61514	0.2
149.04585	0.3
162.62094	0.2
188.54744	0.2
233.15509	1.1
234.15816	1.8
235.16264	0.6
280.50293	0.2
590.32928	0.4
591.26489	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.3
59.01384	14.7
60.01730	0.3
61.98835	100.0
64.88912	0.2
69.03471	0.2
71.01385	1.0
72.99321	0.8
73.02941	0.3
83.67517	0.2
85.02956	0.3
89.02468	0.3
97.02959	1.2
98.22559	0.4
101.02478	0.7
104.39013	0.2
125.02460	0.3
131.03569	0.3
132.22253	0.2
137.06110	0.7
149.04582	0.3
159.16142	0.2
161.04599	0.3
169.04509	0.2
229.35214	0.3
396.21228	0.3
397.21698	0.6
398.14066	0.2
398.22076	0.5
433.22400	0.6
453.65082	0.2
481.19012	0.2
513.25629	0.2
530.26831	0.4
531.26392	0.8
548.22717	0.3
573.19794	0.4
591.20520	1.6
606.74817	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91153	0.4
55.71964	0.4
56.45503	0.4
61.98834	100.0
64.85651	0.5
69.01073	3.6
98.22530	1.2
111.43546	0.4
151.08501	0.4
164.36223	0.5
169.95587	0.4
190.23845	0.4
222.04604	0.4
222.54233	0.4
337.60339	0.4
409.78555	0.4
448.57306	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.2
61.98835	100.0
62.54359	0.7
70.85291	1.4
89.01376	0.8
102.35037	0.8
378.24509	0.8
399.09750	0.8
441.33542	0.8
547.82098	0.9
609.38116	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58725	0.4
54.86346	0.4
55.73464	0.3
59.01382	2.7
61.98833	100.0
63.77442	0.4
71.01395	1.4
71.31959	0.5
72.72404	0.3
73.56384	0.3
78.91889	0.9
78.95924	1.4
79.95744	0.6
83.01405	0.5
85.02958	0.4
89.02474	1.3
94.98117	1.5
96.00908	0.5
96.96024	7.8
96.96992	1.5
101.02468	0.6
103.77979	0.3
105.56219	0.3
119.03502	0.4
131.03549	1.3
132.03864	0.4
140.42908	0.3
147.75325	0.3
231.04941	0.4
290.86755	0.3
502.44153	0.4
530.27185	0.4
589.33093	0.6
590.32733	5.3
591.32971	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69644	1.4
53.15061	1.5
61.98837	100.0
71.32342	1.9
258.00385	1.7
319.71198	1.7
521.65808	1.5
535.21625	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.0
61.23300	0.9
61.98838	100.0
71.30867	1.0
71.31258	1.2
72.99301	2.2
85.95924	0.9
98.23284	0.8
110.76686	0.8
146.23541	0.8
161.02594	0.9
405.54153	0.9
419.62750	0.8
422.96457	0.8
490.98627	0.9
591.35437	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.52132	0.4
71.31259	0.7
78.95913	1.4
80.89608	0.6
96.37066	0.4
96.96030	0.8
149.70280	0.6
201.34070	0.5
201.35965	0.5
213.59064	0.4
221.38622	0.5
291.07867	0.5
297.23807	0.5
369.77487	0.5
407.93390	0.6
410.74622	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09258	0.2
50.65340	0.2
54.91013	0.2
57.52543	0.2
59.01382	0.9
61.98834	100.0
69.02464	1.1
69.02885	1.5
72.99341	0.2
73.49548	0.2
75.00895	0.4
80.96534	0.4
87.00905	0.3
94.59943	0.2
113.06113	0.5
115.75125	0.2
122.87059	0.2
139.07727	0.4
167.82645	0.2
214.81174	0.3
226.58539	0.3
331.06226	0.3
507.79861	0.2
591.24963	0.8
609.67584	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49630	0.2
59.01381	0.7
59.51182	0.2
61.98835	100.0
62.98549	0.2
69.01935	1.4
69.02353	0.7
81.47936	0.2
87.00879	0.2
116.70998	0.2
390.55658	0.2
392.06223	0.2
402.35394	0.2
406.34827	0.2
591.24805	0.3
591.34198	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04253	4.0
59.01382	48.6
61.98838	75.8
63.75432	3.1
69.08215	3.9
69.29942	21.7
71.01389	10.3
72.99317	11.8
73.02955	4.3
85.02963	8.2
87.00896	3.6
89.02462	10.3
92.79691	3.2
97.02975	15.0
100.14196	3.3
100.61006	3.1
101.02462	11.0
108.02224	17.2
113.02486	9.6
121.02984	12.6
122.03780	4.2
123.04497	4.1
125.02461	6.2
131.03545	7.5
136.01694	6.6
137.06091	5.4
150.03262	6.0
161.04680	5.5
161.06056	4.4
222.81198	3.7
229.08643	3.8
296.10501	4.7
297.11313	5.5
325.10791	15.7
369.09811	100.0
397.22397	4.1
398.22687	12.5
399.23975	7.8
485.18051	5.8
529.24597	5.0
530.26678	5.2
531.22198	6.2
547.25604	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06136	0.3
58.60875	0.2
59.01379	0.5
61.98833	100.0
67.39255	0.2
69.11145	2.5
92.91096	0.3
96.96036	0.6
98.22587	0.5
111.09952	0.3
192.45192	0.3
211.25882	0.3
290.27557	0.3
313.19305	0.3
345.71555	0.3
590.32648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35386	0.2
58.79789	0.2
59.01379	0.4
61.98834	100.0
69.68700	1.3
82.30249	0.2
87.00911	0.4
96.96045	0.2
99.04572	0.3
111.67535	0.3
246.06711	0.2
285.77902	0.2
305.55643	0.2
335.40686	0.2
343.19165	0.3
348.01498	0.2
591.34332	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35386	0.2
58.79789	0.2
59.01379	0.4
61.98834	100.0
69.68700	1.3
82.30249	0.2
87.00911	0.4
96.96045	0.2
99.04572	0.3
111.67535	0.3
246.06711	0.2
285.77902	0.2
305.55643	0.2
335.40686	0.2
343.19165	0.3
348.01498	0.2
591.34332	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70990	2.8
54.78881	2.7
57.03444	12.2
61.57570	2.5
65.00323	2.9
65.34262	2.8
69.31276	14.1
74.08634	2.6
81.03413	3.7
82.91745	2.9
83.01392	9.6
90.28490	2.6
93.03467	5.4
95.01413	4.2
95.05013	3.9
97.02965	6.4
107.05049	3.4
109.02946	25.6
111.00883	34.2
121.02963	9.4
123.00861	15.3
123.04539	18.2
125.02448	100.0
131.05003	3.8
133.02965	9.6
135.00835	3.3
135.04567	7.1
137.02451	40.4
139.00377	60.8
140.01120	3.6
141.01926	9.2
143.05013	4.6
145.02953	4.1
146.03561	3.2
147.00871	4.3
147.04485	5.3
149.02469	18.7
150.03221	4.4
151.00412	11.2
151.04048	19.5
152.01103	3.3
153.01912	6.3
159.04523	11.9
161.02461	41.8
161.06017	4.2
163.00383	13.6
163.04025	11.6
164.01152	9.2
165.01942	12.6
167.03558	16.2
175.00377	7.5
175.04044	20.3
176.01234	3.7
177.01933	62.0
177.05612	4.7
178.02586	4.1
178.99873	14.2
179.03539	5.5
187.04021	11.8
189.01961	12.5
189.05577	5.8
190.02751	5.6
191.03505	11.4
199.03932	15.4
201.01982	4.4
201.05641	5.1
203.03477	8.0
203.07098	7.6
205.01424	4.6
211.03943	4.5
213.01978	3.3
213.05588	8.4
214.02579	4.4
215.03490	15.2
217.01476	6.7
217.05042	7.0
219.03024	5.6
225.22882	3.2
227.03513	6.7
229.05045	4.3
231.02979	8.2
233.04500	8.0
241.01512	4.0
241.05394	3.3
243.02995	23.6
243.06635	3.6
245.00545	3.3
245.04576	8.5
245.08231	9.1
249.81346	2.8
253.04951	3.9
255.02982	8.3
257.04681	7.3
258.01749	4.7
259.02460	56.6
260.02899	5.3
261.03934	7.9
269.01035	5.1
269.04446	5.3
270.01715	5.4
271.02478	19.8
272.03253	9.7
273.04022	10.9
281.04666	5.4
285.04080	12.4
287.05615	13.5
289.03726	5.4
289.07114	42.7
293.04590	4.7
293.08157	3.8
295.02597	3.4
297.04199	6.2
299.02121	5.4
299.05692	6.6
301.03558	21.2
301.07037	6.4
303.04944	17.1
323.05682	13.5
327.05081	9.8
377.06302	3.7
395.07330	5.2
403.04602	7.5
407.07501	7.2
421.05585	34.0
422.06384	6.6
423.07071	37.3
424.08078	5.6
439.06702	37.6
440.07202	9.0
441.08267	5.2
449.08780	5.5
465.08136	7.4
468.07693	6.5
492.55881	4.3
503.35016	3.5
573.09595	3.1
591.11053	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	7.7
58.62590	2.3
59.01379	4.1
69.03494	2.5
71.01426	2.5
72.71252	2.4
78.80298	2.4
81.03460	4.1
83.01389	5.3
85.06606	7.5
89.12210	2.6
95.01422	3.3
97.02964	5.0
98.20282	3.1
98.22549	6.4
99.00904	11.0
109.02964	15.6
111.00915	8.1
115.04041	9.3
121.02940	5.7
123.00915	23.3
123.04530	11.5
125.02455	100.0
126.02791	4.4
127.00391	3.1
133.02995	5.7
135.04520	2.8
137.02533	14.6
139.00378	21.8
140.01184	5.5
141.01947	49.9
145.02982	3.7
147.00891	3.0
147.04594	2.9
149.02469	6.1
151.00383	17.6
151.04056	8.6
152.01241	4.4
153.01944	39.4
159.04565	3.8
161.02460	46.0
161.06081	4.1
162.03125	3.3
163.00415	6.4
163.04007	6.0
164.01193	8.0
165.01991	8.7
166.02629	2.6
167.03494	7.7
171.04526	3.1
173.02469	5.8
174.47981	2.9
175.00409	7.2
175.03995	23.9
177.01962	14.1
179.03563	4.2
180.00562	3.1
183.04428	3.7
187.03966	3.2
189.07716	2.9
191.03539	4.1
199.04019	7.9
201.01935	8.8
201.05638	3.0
203.03493	8.2
203.07144	3.3
205.01442	3.6
205.05255	3.1
213.05569	4.1
215.03543	6.2
217.05084	7.8
239.03551	4.0
241.05066	4.2
243.03055	7.4
245.04436	4.5
255.03133	4.2
257.04599	7.0
258.01654	7.4
259.02502	27.1
259.05344	3.7
260.02777	2.8
271.02557	7.0
272.03299	4.2
285.04086	16.1
287.02267	4.1
287.05637	4.8
289.03812	6.8
289.07214	18.5
301.03516	3.4
303.05148	59.4
304.05740	4.3
377.06854	2.8
421.05511	24.3
422.06439	10.5
423.07126	12.4
439.06750	55.9
439.12552	4.5
440.07205	8.7
450.05640	4.0
465.08163	7.4
468.06638	3.5
591.11761	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21612	0.3
56.95068	0.3
59.01383	2.4
63.02378	0.9
65.00333	2.3
69.21889	2.0
71.01392	0.7
73.02998	0.3
83.01382	1.3
85.02939	0.5
89.02508	0.4
91.01915	0.5
93.03481	0.8
94.71854	0.3
95.09386	0.3
107.01402	3.8
108.02192	1.1
109.02939	2.6
119.01366	0.6
121.02946	3.9
123.56303	0.3
125.02505	0.5
135.00905	0.8
137.02373	0.4
147.04549	0.4
148.01651	1.3
149.02455	0.6
151.00378	16.5
163.00366	4.2
164.01149	0.7
169.01431	0.5
178.99861	9.1
180.00180	0.4
183.04564	1.1
187.03957	0.7
199.03998	1.2
201.05461	0.8
203.03482	0.6
211.04012	1.9
212.04747	0.4
215.03506	0.7
216.04175	0.3
216.72134	0.4
226.02719	1.4
227.03482	2.8
229.05058	1.1
239.03442	0.5
243.03000	8.0
244.03484	0.5
245.04475	2.1
254.02318	1.5
255.02997	18.5
256.03467	1.1
257.04626	0.5
266.02130	0.4
271.02499	37.1
272.02991	3.3
273.03925	1.8
283.02548	2.1
285.03976	0.3
299.02026	2.0
300.02777	51.6
301.03543	100.0
302.03864	5.7
399.00491	0.7
566.79626	0.3
591.13586	20.2
592.14001	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.7
59.97141	0.4
63.02382	0.9
65.00307	1.9
69.41102	0.8
69.41504	2.0
71.01383	0.9
75.13500	0.6
83.01386	1.2
85.02994	0.5
89.02450	0.8
93.03418	0.8
101.02444	0.6
107.01397	3.8
108.02249	0.8
109.02940	2.3
110.54871	0.5
113.02513	0.5
119.01390	0.5
121.02968	3.2
131.03473	0.4
133.45674	0.5
135.00894	0.9
137.02338	0.6
145.02907	0.6
148.01669	0.9
151.00378	17.6
163.00381	2.8
169.01491	0.9
178.99886	7.9
183.04309	0.5
187.03990	1.2
192.00673	0.5
192.53712	0.5
193.01381	0.6
199.04033	0.7
203.03500	0.7
211.04021	1.9
226.02673	1.0
227.03458	3.2
229.05048	1.4
239.03339	0.5
243.03006	5.0
245.04494	2.8
254.02148	1.2
255.03011	14.9
256.03409	1.0
264.13501	0.5
271.02496	26.6
272.03055	1.9
273.04044	2.0
283.02521	2.0
285.04132	3.4
299.01898	1.0
300.02768	41.2
301.03540	100.0
302.03928	6.7
399.23993	0.7
531.27600	0.6
584.10406	0.5
591.13580	15.5
592.14026	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66736	0.4
53.83506	0.4
55.01871	1.1
57.03434	1.1
58.00589	0.9
59.01381	21.7
61.98835	4.2
63.02390	0.6
63.02723	0.4
65.00329	0.6
65.17555	0.4
65.43134	0.5
69.03471	0.5
69.14676	0.9
69.15079	3.3
71.00988	0.8
71.01387	16.5
72.99305	1.0
73.02946	5.4
75.00846	0.5
75.48988	0.4
81.03451	0.4
83.01394	2.5
83.07034	0.4
85.02950	6.9
87.00867	1.2
87.16962	0.5
89.01952	0.9
89.02451	9.1
95.01387	1.3
98.21769	1.0
99.00875	2.2
101.02447	11.3
107.01395	1.8
109.02943	0.6
111.03819	0.5
113.02458	7.2
119.03535	1.2
125.02440	1.1
131.03516	6.6
132.02191	0.8
135.00865	1.4
143.03497	1.6
149.04578	2.3
150.03192	0.4
151.00369	2.9
151.04036	0.5
159.02969	1.3
159.04457	0.6
161.04555	12.3
163.00415	1.1
164.01135	1.0
165.05666	0.5
178.99861	2.1
179.05533	0.7
179.14409	0.8
183.04483	1.2
185.02412	0.6
185.06160	0.9
191.05649	0.9
199.04039	1.1
211.04066	1.9
227.03511	40.6
228.03944	2.2
229.05055	2.0
237.18596	2.3
239.03558	0.9
251.16466	0.6
255.02998	73.4
256.03531	7.8
257.04510	2.0
267.16083	1.5
274.23557	0.5
283.02493	1.0
284.03278	100.0
285.03940	19.3
286.04367	0.7
293.08810	1.5
309.04034	0.8
326.04364	0.6
399.23898	22.6
400.24167	1.5
433.22195	0.5
441.08267	1.8
443.23062	1.2
459.09543	0.7
493.12277	0.6
507.20209	1.4
518.33112	0.5
531.28247	11.6
532.28467	0.9
591.13550	59.4
592.13940	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	8.2
64.97365	1.1
69.68295	3.4
70.53317	0.9
81.03461	3.2
83.01382	5.5
93.03473	3.3
95.01392	1.4
95.05038	3.4
97.02962	5.9
99.00903	1.3
107.05056	1.6
108.02185	1.5
109.02966	26.5
111.00917	2.3
120.02165	1.0
121.02951	5.0
122.03783	2.8
123.00877	4.8
123.04532	16.6
124.01659	1.6
125.02467	52.3
126.02830	1.5
133.03030	2.5
135.04559	2.4
137.02458	21.3
138.02992	1.0
139.00410	3.0
139.04054	5.0
141.01976	5.2
145.02983	1.8
146.03725	1.9
147.04391	1.2
148.01692	1.3
149.02458	9.4
150.03217	1.0
151.00385	3.7
151.04050	11.6
153.01997	4.8
157.06644	1.1
159.04530	5.0
160.01645	1.7
161.02457	10.0
161.06125	4.9
162.03131	2.3
163.00383	4.7
163.04041	4.5
164.01175	11.8
165.01956	7.9
167.03513	3.9
173.02551	1.5
173.05989	1.7
175.00377	2.7
175.04042	9.9
175.07712	2.3
177.01950	13.1
177.05534	1.1
179.03542	5.7
180.00583	1.1
187.04015	7.0
188.04791	3.2
191.03474	3.2
199.04019	2.2
199.07628	1.6
200.04758	1.2
201.01927	1.7
201.05473	1.1
202.06349	3.3
203.03534	2.3
203.07190	13.1
205.01451	3.6
205.05023	8.9
213.05585	1.3
215.07108	1.2
217.05022	2.7
219.03172	1.1
221.08241	2.3
227.03523	1.1
227.07228	3.0
229.05273	1.4
231.02936	1.6
243.03012	4.2
245.08203	14.5
245.20474	1.1
247.06145	1.5
255.03098	3.7
256.03754	1.4
257.04498	1.8
259.02512	5.7
261.04047	1.6
269.04611	1.6
271.02527	2.4
272.03381	1.2
285.04114	3.1
286.04977	2.1
287.05652	2.2
289.07205	100.0
290.07492	5.9
297.04156	1.3
299.05643	1.3
301.03571	4.5
301.07257	9.5
303.05127	8.5
303.08722	3.4
324.53159	1.1
327.05188	1.7
328.05801	1.7
329.06580	2.7
395.07654	1.1
407.07669	8.4
421.05685	5.1
422.06482	2.1
423.07449	3.0
425.09033	1.8
439.06592	6.8
463.06812	1.1
465.13129	4.8
555.09619	1.2
591.12921	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56030	1.1
57.03450	7.7
65.03981	1.1
68.69965	1.0
71.29114	1.5
74.54926	1.1
81.03472	4.2
83.01380	5.9
89.02474	1.6
93.03480	3.8
95.01399	2.0
95.05036	3.5
97.02952	5.6
99.00876	1.6
99.04504	1.3
109.02961	23.2
111.00877	1.6
120.02165	1.0
121.02973	4.4
123.00885	4.0
123.04536	14.3
124.01670	1.9
125.02455	57.6
126.02808	1.3
133.02975	4.2
135.04527	2.2
137.02460	23.7
139.00420	5.1
139.03996	5.3
140.13286	1.0
141.01927	6.9
145.02951	1.5
146.03784	1.5
147.00934	1.4
147.04543	2.2
148.01634	1.6
149.02426	6.6
150.03220	2.2
151.00421	3.0
151.04002	9.0
153.01917	5.7
153.05533	1.4
159.04529	4.4
160.05272	2.2
161.02457	12.1
161.06082	3.3
162.03171	3.0
163.00372	4.8
163.04024	4.5
164.01163	9.4
165.01933	8.8
166.02750	1.3
167.03491	4.8
167.57271	1.1
173.06029	1.6
174.03256	1.6
175.00392	2.2
175.03990	9.1
175.07594	1.2
177.01939	10.3
177.05537	1.4
179.03543	5.7
187.04065	6.8
188.04747	4.1
189.05641	1.4
191.03502	3.2
199.03966	2.7
201.01941	1.6
201.05624	1.8
202.06383	2.2
203.03482	2.0
203.07161	12.9
205.01431	3.0
205.05086	7.6
213.05540	1.9
215.03583	2.3
217.01369	1.4
217.05063	4.3
221.08168	2.0
227.07141	2.2
229.05003	1.6
230.05699	1.4
232.85706	1.3
241.05013	1.8
243.02985	5.2
245.04536	2.1
245.08182	15.9
255.02895	2.9
256.03891	1.5
257.04559	2.6
259.02408	6.8
261.04196	2.0
271.02469	2.6
271.06201	1.1
272.03223	1.4
281.04514	1.4
283.02396	2.2
285.04013	2.9
286.04773	2.3
289.07187	100.0
290.07651	5.4
301.03513	7.1
301.07190	8.1
303.05078	6.6
303.08688	3.2
329.06671	1.4
407.07764	7.6
421.05579	4.1
423.07205	3.8
436.31259	1.2
439.06525	5.4
452.07843	1.3
465.11938	4.0
468.07156	1.2
555.09998	1.8
591.12036	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56145	9.4
56.78751	12.0
61.98833	38.1
64.65580	8.9
69.06692	100.0
71.02617	8.5
78.95920	17.1
80.91696	42.1
95.47832	10.4
96.96040	15.7
103.23962	9.1
116.71040	9.2
128.35526	11.9
135.68147	10.1
151.86781	9.7
155.06250	9.4
164.15636	9.1
171.65166	10.4
192.61392	9.0
194.56253	9.8
203.81775	10.4
508.01218	10.7
555.87592	10.4
599.18042	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
57.03435	0.8
59.01385	41.1
61.98837	18.2
69.03428	3.6
69.03859	3.4
71.01392	8.0
73.02952	1.7
78.95898	1.5
81.03448	0.8
83.01395	18.8
85.02947	2.4
87.00871	0.8
89.02451	4.5
93.03484	2.0
98.21731	1.2
99.00912	1.1
101.02446	4.6
107.05035	1.6
108.02185	8.3
109.02966	2.7
113.02460	2.6
117.07101	0.9
119.03529	1.1
121.02969	18.0
122.03786	1.6
125.02451	0.9
131.03505	2.4
133.02980	1.9
134.03748	0.7
135.04529	1.3
136.01703	4.5
137.02473	3.6
139.07648	2.3
143.03520	1.0
145.06670	0.6
147.08189	4.0
149.04562	1.7
150.03252	4.0
157.06635	2.5
160.05341	1.3
161.04591	3.2
161.06087	4.0
162.06888	1.0
171.10313	4.9
175.07683	4.7
179.05574	0.9
182.02214	2.1
189.05603	2.6
190.06366	0.7
191.05734	1.1
201.11389	3.9
209.11847	1.3
219.06618	0.6
233.04533	1.6
253.09389	1.1
296.10464	5.6
297.11328	4.7
301.03656	0.9
325.10840	17.4
325.14514	1.3
326.11121	1.4
340.09402	1.0
369.09805	100.0
370.10089	9.7
399.23874	12.0
407.17075	0.8
531.28461	3.2
548.22333	1.5
591.26013	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.8
59.01391	1.9
69.03452	1.1
71.01390	0.8
71.27783	1.1
72.99325	1.4
73.02942	0.9
81.03437	1.6
82.95409	1.0
83.01403	4.3
87.23701	0.6
93.03474	1.7
95.01440	1.2
95.05045	2.3
95.26263	0.7
97.02956	5.6
99.04490	0.7
101.02436	0.8
105.96819	0.7
108.02180	3.1
109.02962	16.5
116.90421	0.7
121.02965	4.4
121.06589	0.8
122.03760	2.6
123.00928	0.8
123.04539	11.4
124.01654	1.0
125.02462	19.1
133.03035	1.2
134.03712	1.2
135.04567	3.7
137.02454	14.0
137.06097	0.8
138.03265	0.9
139.04012	3.6
145.02974	1.2
145.11781	0.6
146.03743	1.5
147.04491	1.1
149.02457	6.2
149.06125	0.8
150.03180	1.0
151.04027	7.5
159.04523	3.1
160.05331	1.5
161.02484	5.2
161.06079	7.0
162.03239	2.5
162.53142	0.8
163.00394	1.1
163.04016	2.0
163.11359	0.8
164.01140	4.5
165.01942	7.4
167.03523	2.6
172.05417	0.9
173.06020	1.9
174.71352	0.7
175.00319	0.9
175.04051	4.9
175.07651	1.1
176.01233	1.5
177.01970	4.0
179.03468	5.2
187.04021	4.9
188.04803	3.3
189.05508	1.2
190.02609	0.7
191.03482	1.2
201.05565	2.2
202.06384	1.3
203.03558	1.1
203.07149	13.8
204.07501	1.3
205.05054	10.0
205.08591	0.9
212.04854	0.7
213.05508	1.0
215.03467	1.5
216.04294	1.3
217.05220	0.9
217.08653	0.7
221.08173	2.5
221.68047	0.7
227.07184	2.0
229.05051	1.0
230.05823	1.3
231.02919	1.4
231.06587	1.0
243.03032	2.6
244.03648	1.4
245.04456	1.0
245.08229	14.7
247.06207	2.2
251.29504	0.7
255.02861	1.1
257.04517	1.5
259.06137	4.4
273.07877	1.2
285.04111	1.6
287.05783	1.0
287.09232	1.3
289.07199	100.0
290.07535	5.3
295.91544	0.8
301.03552	3.0
301.07236	2.6
303.05200	0.9
313.03589	0.7
313.07327	0.8
323.05429	0.8
407.07941	1.1
437.12512	13.6
449.12088	0.9
452.07635	1.1
465.08270	1.9
473.22110	1.1
518.19879	0.7
547.21088	1.4
591.19147	25.1
592.19537	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65643	0.8
57.03453	3.9
59.01378	7.6
60.85724	0.8
61.98819	1.3
63.02393	2.1
65.00317	2.1
69.03471	1.4
70.87440	1.9
71.01379	4.3
71.05021	1.9
72.99313	5.0
73.02951	6.9
74.74373	0.7
75.00886	4.6
81.03412	1.2
83.01379	3.2
83.05007	2.0
85.02973	4.0
87.04514	1.0
89.02430	2.6
93.03416	1.0
95.01428	1.1
97.02953	1.7
99.04564	2.0
100.12691	0.8
101.02445	4.0
107.01394	6.1
107.05048	1.6
108.02179	1.8
109.02966	3.7
109.06605	3.8
111.04549	1.1
113.02498	2.0
119.01405	0.8
121.02969	5.0
121.06609	2.7
121.30633	0.8
123.04525	1.8
123.08169	1.3
125.02471	1.9
125.06110	2.0
128.84157	0.8
131.03467	1.2
132.44638	0.9
133.03017	0.9
133.06616	1.0
135.00920	1.0
135.04549	1.7
135.08177	3.2
136.05309	1.1
136.86427	0.9
137.02409	1.0
137.06046	1.8
145.06618	1.4
146.01912	0.8
147.08165	2.3
149.06111	2.2
151.00391	23.5
151.07672	2.3
161.04652	1.3
161.06096	2.3
161.09717	3.0
163.00383	3.8
163.07623	2.1
163.11270	2.0
169.01479	1.2
171.04559	1.0
173.06026	1.2
174.06947	0.9
175.07640	2.3
177.09224	2.2
178.99876	10.2
185.06056	1.8
187.07607	1.6
189.05559	1.5
189.09195	2.4
190.06372	0.9
191.05632	1.0
191.07208	2.7
192.00653	1.0
193.08900	1.1
201.05576	1.2
201.09163	1.2
203.07153	2.2
203.10860	0.9
205.08794	1.2
207.06548	0.9
207.10179	2.2
211.03944	2.3
213.09441	1.3
215.07123	1.5
218.53276	0.8
220.07230	1.0
221.08276	1.2
227.03520	3.2
229.05040	2.9
231.06870	1.3
243.02995	4.9
245.04672	2.0
255.03026	11.8
256.03653	1.6
257.04562	3.5
267.15985	1.4
271.02493	21.7
272.02921	2.6
273.04190	1.5
283.02536	2.4
285.04050	25.9
286.04251	1.9
299.02151	2.0
300.02762	25.5
301.03546	100.0
302.03900	8.7
306.04840	0.9
327.19067	0.9
371.14999	1.4
383.19037	0.9
391.27069	1.8
399.23746	5.4
473.18188	7.7
512.20850	1.0
529.20587	1.2
531.28082	2.8
547.22021	1.4
591.13788	4.8
591.20947	61.9
592.13428	1.2
592.21246	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88728	0.9
55.01874	0.7
57.03450	5.2
59.01096	0.9
59.01381	12.7
61.98828	5.5
63.02389	1.8
65.00318	1.6
66.83932	0.7
69.03439	3.7
69.03854	5.9
71.01382	10.1
71.05012	3.5
72.99300	7.6
73.02948	15.0
74.83817	0.6
75.00867	9.5
81.03432	0.8
83.01379	3.6
83.05034	2.5
85.02955	6.0
85.06604	0.9
87.00881	1.3
87.04515	1.7
89.02443	3.5
93.03449	2.8
94.11206	0.8
95.04978	1.1
97.02958	3.0
99.00892	1.1
99.04546	1.0
101.02462	7.6
107.01392	5.1
107.05018	1.4
108.02207	1.5
109.02934	4.5
109.06609	6.8
113.02421	3.9
119.05125	1.0
121.02937	4.2
121.06607	4.8
122.03706	1.2
123.04533	1.4
123.08177	3.0
125.02495	1.8
125.06113	1.9
131.03488	4.3
133.06636	1.7
134.04590	0.8
135.00868	1.4
135.04565	2.1
135.08147	2.5
136.05305	2.0
137.06100	4.0
145.06610	1.6
147.04495	1.4
147.08113	4.1
148.01689	0.9
149.02420	1.5
149.04968	0.9
149.06041	5.6
151.00365	21.0
151.03963	1.1
151.07663	2.8
152.00932	1.2
156.99895	0.8
157.06606	1.4
159.04524	1.7
159.08159	1.9
161.04608	4.2
161.06143	2.2
161.09720	3.3
163.00397	3.2
163.07687	3.6
163.11334	3.9
165.09225	1.4
167.07118	1.0
169.01419	0.7
173.06079	2.8
173.09743	1.0
173.11873	2.1
175.04007	1.3
175.07655	5.1
175.11319	1.7
177.09186	2.0
178.99867	11.4
179.07074	1.3
183.04498	1.2
185.06108	1.4
185.09808	1.1
187.03935	1.0
187.07616	1.2
189.09195	1.4
191.07190	1.7
191.10756	1.2
193.08725	2.2
199.03899	1.4
201.05574	2.1
201.09280	1.5
203.07074	4.3
205.08731	1.8
207.10313	2.1
211.04073	1.6
215.07178	1.4
219.06709	1.4
219.10222	0.9
221.08199	2.7
227.03441	3.9
227.14255	0.9
229.05090	2.0
231.06528	1.8
235.09772	1.5
243.02954	5.3
245.04544	2.5
249.07776	1.1
254.02156	0.9
255.03000	12.8
256.03406	2.4
257.04568	1.3
266.02359	1.2
271.02493	22.6
272.03122	1.4
273.04211	1.3
279.30389	0.9
281.15512	1.2
283.02509	1.9
285.04053	9.0
297.15201	1.4
299.02011	1.4
300.02783	29.9
301.03546	100.0
302.03888	5.8
309.18686	0.9
322.57138	0.9
325.14832	1.2
369.06616	0.9
371.14978	1.5
399.14676	2.1
399.23874	12.8
411.18338	1.1
427.17575	1.9
429.20377	1.2
443.23148	1.7
455.16690	1.7
473.18140	17.0
474.18600	2.5
515.19312	2.3
529.20825	2.3
531.28021	6.3
532.27582	1.0
547.21826	2.1
559.14642	3.9
589.76221	0.9
591.13800	5.8
591.21008	77.8
592.13641	1.4
592.21417	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03460	5.0
59.01400	3.2
68.99686	2.2
69.00109	3.1
69.03454	0.8
71.01382	0.7
71.05032	5.4
73.02953	7.2
83.05042	1.6
85.02943	0.7
85.06606	0.8
85.51160	0.6
87.04504	0.9
89.02454	0.9
93.03493	1.2
95.01424	0.6
95.05039	2.2
97.02961	2.6
97.06598	0.9
98.22542	1.3
101.02419	1.1
107.05052	0.8
107.08659	0.7
109.02970	3.3
109.06593	6.8
111.04553	1.2
121.02966	0.8
121.06609	2.2
123.04559	2.0
123.08186	3.3
125.02464	4.6
125.06099	2.8
131.08664	1.2
133.06618	2.3
135.04556	2.2
135.08199	2.0
137.02487	2.1
137.06097	3.8
139.04016	1.5
145.06636	1.8
147.08186	1.7
149.06087	4.1
149.09738	3.5
151.04095	0.7
151.07639	1.8
159.04529	1.3
159.08171	1.4
161.02460	1.0
161.06126	2.1
161.09752	4.1
163.07677	2.5
163.11290	3.3
165.05540	1.5
167.07144	1.6
171.08107	0.8
172.05334	0.7
175.07652	2.2
177.01904	0.7
177.05618	1.4
177.09267	3.0
179.07140	1.4
179.10783	0.9
185.06084	0.9
187.07674	7.3
188.04840	1.1
188.08380	1.0
189.05618	0.7
189.09229	3.6
191.10799	1.4
199.07697	0.8
201.05435	0.7
201.09225	2.0
203.07159	5.1
204.07924	2.0
205.05119	0.8
205.08682	8.7
207.10243	2.4
213.05652	0.7
215.07109	1.1
217.08688	1.1
219.10303	2.1
223.09717	1.0
227.07077	1.2
228.07996	0.6
229.08690	1.4
231.06636	0.9
233.08223	0.8
245.08154	1.6
253.12421	1.1
289.07300	4.4
295.13455	1.2
297.14795	0.8
301.07361	0.7
309.14899	1.5
321.11215	0.9
327.16101	1.0
337.14539	0.9
349.18106	2.3
355.15424	1.2
367.19031	1.4
383.18909	0.9
393.17053	0.7
411.18262	2.3
429.19305	5.1
455.17285	2.1
487.19760	1.5
573.19464	0.8
591.20862	100.0
591.74811	0.7
592.21271	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88728	0.9
55.01874	0.7
57.03450	5.2
59.01096	0.9
59.01381	12.7
61.98828	5.5
63.02389	1.8
65.00318	1.6
66.83932	0.7
69.03439	3.7
69.03854	5.9
71.01382	10.1
71.05012	3.5
72.99300	7.6
73.02948	15.0
74.83817	0.6
75.00867	9.5
81.03432	0.8
83.01379	3.6
83.05034	2.5
85.02955	6.0
85.06604	0.9
87.00881	1.3
87.04515	1.7
89.02443	3.5
93.03449	2.8
94.11206	0.8
95.04978	1.1
97.02958	3.0
99.00892	1.1
99.04546	1.0
101.02462	7.6
107.01392	5.1
107.05018	1.4
108.02207	1.5
109.02934	4.5
109.06609	6.8
113.02421	3.9
119.05125	1.0
121.02937	4.2
121.06607	4.8
122.03706	1.2
123.04533	1.4
123.08177	3.0
125.02495	1.8
125.06113	1.9
131.03488	4.3
133.06636	1.7
134.04590	0.8
135.00868	1.4
135.04565	2.1
135.08147	2.5
136.05305	2.0
137.06100	4.0
145.06610	1.6
147.04495	1.4
147.08113	4.1
148.01689	0.9
149.02420	1.5
149.04968	0.9
149.06041	5.6
151.00365	21.0
151.03963	1.1
151.07663	2.8
152.00932	1.2
156.99895	0.8
157.06606	1.4
159.04524	1.7
159.08159	1.9
161.04608	4.2
161.06143	2.2
161.09720	3.3
163.00397	3.2
163.07687	3.6
163.11334	3.9
165.09225	1.4
167.07118	1.0
169.01419	0.7
173.06079	2.8
173.09743	1.0
173.11873	2.1
175.04007	1.3
175.07655	5.1
175.11319	1.7
177.09186	2.0
178.99867	11.4
179.07074	1.3
183.04498	1.2
185.06108	1.4
185.09808	1.1
187.03935	1.0
187.07616	1.2
189.09195	1.4
191.07190	1.7
191.10756	1.2
193.08725	2.2
199.03899	1.4
201.05574	2.1
201.09280	1.5
203.07074	4.3
205.08731	1.8
207.10313	2.1
211.04073	1.6
215.07178	1.4
219.06709	1.4
219.10222	0.9
221.08199	2.7
227.03441	3.9
227.14255	0.9
229.05090	2.0
231.06528	1.8
235.09772	1.5
243.02954	5.3
245.04544	2.5
249.07776	1.1
254.02156	0.9
255.03000	12.8
256.03406	2.4
257.04568	1.3
266.02359	1.2
271.02493	22.6
272.03122	1.4
273.04211	1.3
279.30389	0.9
281.15512	1.2
283.02509	1.9
285.04053	9.0
297.15201	1.4
299.02011	1.4
300.02783	29.9
301.03546	100.0
302.03888	5.8
309.18686	0.9
322.57138	0.9
325.14832	1.2
369.06616	0.9
371.14978	1.5
399.14676	2.1
399.23874	12.8
411.18338	1.1
427.17575	1.9
429.20377	1.2
443.23148	1.7
455.16690	1.7
473.18140	17.0
474.18600	2.5
515.19312	2.3
529.20825	2.3
531.28021	6.3
532.27582	1.0
547.21826	2.1
559.14642	3.9
589.76221	0.9
591.13800	5.8
591.21008	77.8
592.13641	1.4
592.21417	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65643	0.8
57.03453	3.9
59.01378	7.6
60.85724	0.8
61.98819	1.3
63.02393	2.1
65.00317	2.1
69.03471	1.4
70.87440	1.9
71.01379	4.3
71.05021	1.9
72.99313	5.0
73.02951	6.9
74.74373	0.7
75.00886	4.6
81.03412	1.2
83.01379	3.2
83.05007	2.0
85.02973	4.0
87.04514	1.0
89.02430	2.6
93.03416	1.0
95.01428	1.1
97.02953	1.7
99.04564	2.0
100.12691	0.8
101.02445	4.0
107.01394	6.1
107.05048	1.6
108.02179	1.8
109.02966	3.7
109.06605	3.8
111.04549	1.1
113.02498	2.0
119.01405	0.8
121.02969	5.0
121.06609	2.7
121.30633	0.8
123.04525	1.8
123.08169	1.3
125.02471	1.9
125.06110	2.0
128.84157	0.8
131.03467	1.2
132.44638	0.9
133.03017	0.9
133.06616	1.0
135.00920	1.0
135.04549	1.7
135.08177	3.2
136.05309	1.1
136.86427	0.9
137.02409	1.0
137.06046	1.8
145.06618	1.4
146.01912	0.8
147.08165	2.3
149.06111	2.2
151.00391	23.5
151.07672	2.3
161.04652	1.3
161.06096	2.3
161.09717	3.0
163.00383	3.8
163.07623	2.1
163.11270	2.0
169.01479	1.2
171.04559	1.0
173.06026	1.2
174.06947	0.9
175.07640	2.3
177.09224	2.2
178.99876	10.2
185.06056	1.8
187.07607	1.6
189.05559	1.5
189.09195	2.4
190.06372	0.9
191.05632	1.0
191.07208	2.7
192.00653	1.0
193.08900	1.1
201.05576	1.2
201.09163	1.2
203.07153	2.2
203.10860	0.9
205.08794	1.2
207.06548	0.9
207.10179	2.2
211.03944	2.3
213.09441	1.3
215.07123	1.5
218.53276	0.8
220.07230	1.0
221.08276	1.2
227.03520	3.2
229.05040	2.9
231.06870	1.3
243.02995	4.9
245.04672	2.0
255.03026	11.8
256.03653	1.6
257.04562	3.5
267.15985	1.4
271.02493	21.7
272.02921	2.6
273.04190	1.5
283.02536	2.4
285.04050	25.9
286.04251	1.9
299.02151	2.0
300.02762	25.5
301.03546	100.0
302.03900	8.7
306.04840	0.9
327.19067	0.9
371.14999	1.4
383.19037	0.9
391.27069	1.8
399.23746	5.4
473.18188	7.7
512.20850	1.0
529.20587	1.2
531.28082	2.8
547.22021	1.4
591.13788	4.8
591.20947	61.9
592.13428	1.2
592.21246	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58716	1.1
57.03441	4.8
59.01097	1.4
59.01384	20.5
61.98834	2.3
62.73834	1.3
69.03453	2.6
71.01389	15.4
71.05016	3.6
71.31187	1.3
72.99329	7.2
73.02956	17.8
75.00866	4.8
75.91222	1.2
83.01375	2.6
85.02966	8.3
87.00873	4.0
87.04524	1.6
89.02451	6.7
95.01415	1.7
97.02966	2.2
97.06599	1.9
99.00878	2.0
99.04534	3.6
101.02458	11.1
107.05041	1.3
109.06583	6.6
111.04543	1.7
113.02464	7.9
119.03568	1.4
121.06606	5.4
123.04543	4.2
125.02470	2.0
125.06077	2.0
127.58426	1.4
131.03496	7.6
135.04596	1.6
135.08226	1.4
137.06105	3.6
139.07663	2.3
145.06674	1.6
147.08141	2.4
149.06067	3.5
149.09642	1.8
159.02924	2.4
159.08170	2.6
161.04596	5.8
161.05980	1.4
161.09718	4.1
167.07161	3.4
173.06107	2.2
175.07654	4.2
177.09232	3.4
179.10811	2.4
187.07683	2.8
189.09154	1.9
195.06723	1.5
199.11247	1.6
203.07111	5.3
205.08646	4.1
211.07675	1.5
215.07057	2.5
229.12315	1.6
231.06607	6.3
239.10687	1.6
255.10281	1.6
257.12012	1.7
285.04086	2.8
301.03619	1.7
325.14456	1.5
353.13818	1.7
371.15073	3.3
399.14923	3.0
399.23929	21.5
400.24356	1.7
411.18066	1.6
417.24979	1.9
425.16086	1.5
427.17316	1.8
429.19174	2.2
455.16898	1.9
473.18188	19.3
474.18555	2.3
507.20227	2.6
517.21252	2.5
519.23254	1.6
529.20746	6.4
531.28168	11.0
547.21716	6.6
591.20862	100.0
592.21448	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	5.9
57.36549	1.4
59.01382	29.2
61.98831	7.1
69.03433	2.6
69.05025	10.7
69.05423	3.5
71.01385	18.4
71.05019	2.3
72.99316	9.7
73.02950	13.7
75.00885	7.1
82.89129	1.5
83.01376	1.7
85.02966	5.9
87.00849	2.1
89.02448	12.7
94.31256	1.4
95.05028	2.2
97.02965	2.1
98.21841	4.3
98.22532	3.7
99.04539	5.1
101.02459	13.5
109.06596	4.3
110.06951	1.4
113.02452	6.5
119.03495	6.7
121.06615	6.6
122.03767	1.7
123.04464	2.2
123.08189	2.3
125.02457	2.3
125.06087	2.1
131.03506	4.6
131.41331	1.5
135.08159	1.6
137.06094	6.6
149.04585	2.9
149.06108	4.2
159.08295	1.6
161.04579	4.0
161.05984	2.2
161.09705	3.4
167.07066	1.5
173.06020	1.8
175.07677	4.0
177.09218	4.1
179.05681	1.5
179.10767	2.5
185.06090	1.9
187.07745	2.6
191.05646	3.1
199.11333	1.5
201.09230	2.5
203.07167	2.6
231.06639	6.0
241.12392	2.0
251.16551	5.3
325.14398	2.2
371.14966	2.7
399.14822	2.8
399.23886	39.7
400.24191	3.5
406.56601	1.5
411.18283	3.5
449.45978	1.8
455.16971	1.9
473.17978	18.5
474.18451	2.8
485.18063	1.8
515.19818	3.4
529.20856	3.2
531.28284	6.4
547.21899	5.6
591.20898	100.0
592.21014	12.2
597.37134	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2461
Annotation	Clerodendrin E
Peak:m/z	Relative Intensity
52.95715	1.0
54.15829	0.9
57.03443	1.2
59.01384	100.0
61.98835	58.5
70.86572	1.0
71.01386	12.0
71.31094	1.6
72.99304	3.9
73.02939	3.9
75.00873	1.0
78.09590	0.9
80.91675	1.5
82.95394	1.6
83.01372	1.2
83.05024	2.7
85.02956	5.4
87.04529	1.9
89.02443	10.9
95.01379	1.7
95.05045	1.2
97.02954	2.5
97.06593	1.2
101.02448	10.8
109.06593	4.0
113.02464	4.7
119.03483	1.6
121.06610	1.2
123.08161	1.0
125.02440	1.9
127.03996	1.2
131.03477	5.5
135.04497	1.1
137.06064	2.1
143.03487	1.2
147.04506	1.0
147.08266	1.0
149.04588	6.8
149.09660	1.2
161.04588	4.1
179.05591	1.3
191.05611	3.8
235.13226	1.2
239.10802	1.3
262.12701	1.0
272.60428	1.1
301.03342	1.0
303.12476	1.0
356.56067	1.3
399.23889	19.4
400.24231	1.7
407.21851	1.2
433.21848	1.3
447.23895	2.2
451.21121	1.8
489.25012	1.6
531.21625	23.6
531.29266	2.6
532.22491	2.5
591.24524	9.3
592.25201	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88647	0.3
59.01383	100.0
60.01714	0.7
61.98833	16.2
83.05041	0.4
97.02986	0.5
111.08190	0.7
123.04565	0.6
129.05585	2.0
147.08191	0.4
149.09743	0.6
151.37962	0.4
155.07274	0.6
159.04474	0.5
165.09195	0.8
177.05611	0.4
177.09177	0.3
193.08737	0.6
200.80833	0.4
236.99895	0.4
249.07787	0.4
253.12592	0.4
261.11383	0.5
295.13568	1.0
313.14420	0.5
314.42657	0.4
337.16928	0.5
407.22736	0.7
427.21768	0.5
451.21115	3.3
469.22324	6.0
469.27994	0.5
470.22913	0.7
487.15808	0.4
487.23706	0.7
495.20120	0.6
513.20837	2.1
531.25781	1.9
591.24609	0.5
593.58447	0.4
597.69653	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2483
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
57.27353	0.6
59.01383	10.6
59.64004	0.6
61.98524	1.0
61.98837	20.3
63.96233	1.1
65.75208	0.6
67.38660	0.6
69.03454	1.4
71.01389	7.8
73.02935	2.0
75.00909	0.8
78.98599	5.7
79.95739	11.8
79.96171	1.1
80.96523	65.0
81.03458	1.2
85.02930	3.2
87.00875	2.7
89.02435	1.2
94.98091	17.3
96.95988	1.0
97.02956	3.1
98.21980	3.4
99.00909	0.8
101.02466	4.2
106.98100	2.5
113.02460	1.6
122.97594	5.9
125.02444	3.3
127.04055	1.3
134.97598	4.5
136.99132	1.2
148.99139	6.7
152.98659	7.7
164.98653	11.3
165.12865	1.3
182.99715	2.4
191.05672	0.9
206.99687	3.6
225.00742	18.9
229.42172	0.7
229.44733	0.6
243.01799	1.5
247.12474	0.7
291.19632	2.4
295.92355	0.7
299.04471	2.8
303.98175	0.7
322.91498	0.8
429.26520	1.7
438.04092	0.7
513.25256	0.8
591.24854	100.0
592.25171	9.1
593.31427	0.7
606.91748	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2607
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
52.95123	1.0
73.78772	1.2
78.39850	1.1
78.95916	2.0
99.92605	2.8
104.38586	1.2
115.92099	1.4
150.46692	1.1
163.11392	1.1
212.36247	1.3
216.26706	1.1
255.23462	1.4
296.62125	1.1
457.21252	1.4
459.22089	2.1
462.32010	1.2
472.22437	1.2
485.20743	1.3
497.23743	1.9
499.21268	2.9
500.22067	12.4
501.22610	2.1
514.23419	1.4
515.24554	100.0
516.25043	9.4
559.23254	1.8
591.24060	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32316	0.5
52.34022	0.5
53.27012	0.7
57.03446	1.2
58.25676	0.5
59.01384	100.0
60.01717	1.0
61.98833	39.5
69.09368	3.7
69.09783	1.1
71.01384	5.2
72.99324	1.7
73.02967	1.3
79.95744	0.7
80.96531	2.8
83.01408	0.6
85.02970	1.8
87.00879	0.8
89.02461	3.0
95.29465	0.5
97.02980	2.3
98.21797	1.2
98.22448	1.4
99.00920	0.6
101.02441	3.5
111.08203	0.8
113.02482	1.7
119.03569	1.0
125.02453	0.7
125.06112	0.8
129.05620	1.1
131.03552	1.5
149.04614	1.0
149.09770	1.5
161.04570	2.1
165.09200	0.6
170.84613	0.6
191.05722	1.5
225.00769	1.1
261.11258	0.6
295.13483	0.7
301.03433	0.7
337.16797	1.9
387.54794	0.7
399.23907	5.9
403.07343	0.5
451.21536	1.7
469.22592	1.9
503.26892	1.3
513.25720	0.9
515.04883	0.6
531.26331	8.4
532.27582	1.1
575.97852	0.7
591.24756	4.5
592.25702	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27264	1.7
57.03450	4.7
59.01382	100.0
61.98822	10.9
64.17195	1.7
69.03458	4.0
69.17589	11.9
69.18000	4.3
71.01387	32.1
72.99303	8.6
73.02947	8.1
81.53118	1.9
83.01405	4.7
85.02968	9.9
89.02444	17.6
95.04981	2.2
97.02953	19.0
99.00900	5.1
101.02449	20.6
109.06613	2.3
112.02407	2.1
113.02468	8.6
119.03500	2.1
125.02453	4.2
131.03511	18.7
137.06087	16.5
149.04535	13.2
161.04533	15.3
163.07692	1.9
177.09169	2.1
191.05666	4.8
194.67305	2.2
287.16571	10.7
304.35571	2.0
347.18698	9.2
357.17038	2.8
369.13623	2.3
375.18170	14.8
399.23856	40.8
400.24408	2.4
403.21475	4.1
405.22806	8.4
413.71741	2.2
433.22284	34.8
434.22421	4.7
513.24756	4.7
531.27332	21.2
591.24701	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
69.03484	1.6
69.11661	3.4
69.12061	1.6
69.67001	0.6
71.01384	0.9
72.99308	1.0
73.02983	0.8
85.02967	0.9
97.02958	6.7
98.22160	2.7
101.02502	0.7
120.44341	0.7
137.06123	1.3
170.15999	0.6
270.87103	0.6
399.24069	1.4
405.23080	1.4
406.22354	0.5
433.22369	3.3
473.22208	1.9
485.25967	0.9
508.28317	0.7
513.25116	0.8
531.26215	7.8
532.26624	0.8
602.37433	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82338	1.3
55.01870	4.9
57.03431	4.9
58.00579	2.1
59.01387	89.3
61.98832	4.3
65.00320	1.7
71.01389	56.4
72.99300	1.5
73.02962	19.8
83.01389	9.2
85.02955	28.5
87.00910	2.1
89.02455	27.9
95.01414	4.0
97.02975	2.0
97.84062	1.3
99.00887	10.6
101.02458	50.3
107.01382	2.2
113.02467	27.4
119.03514	8.2
125.02455	3.3
125.25149	1.4
129.01962	2.1
131.03508	38.4
143.03506	4.8
149.04562	5.2
151.00407	11.9
159.02989	4.8
159.83589	1.5
161.04562	27.0
163.00426	3.0
178.99916	3.7
179.05612	3.6
184.51653	1.9
191.05617	3.0
227.03641	2.1
229.05191	1.5
243.03043	4.3
245.04720	1.9
255.03099	8.8
257.04611	2.9
271.02505	16.9
272.02951	2.4
284.03333	1.5
285.04102	20.6
291.18097	5.6
300.02786	18.5
301.03561	43.0
302.03967	4.0
399.23895	100.0
400.24124	7.4
423.22079	5.0
424.87869	1.6
443.22852	2.5
464.42099	1.4
471.83969	1.6
531.28143	50.6
532.28528	5.1
555.26636	28.2
556.26843	2.9
591.13654	7.0
591.23236	2.9
592.14124	2.4
617.69250	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.7
57.03450	4.3
58.00597	1.1
59.01382	43.9
61.98840	1.7
63.02374	1.1
65.00333	2.3
69.03475	0.9
69.19555	6.9
71.01385	50.0
72.99303	2.1
73.02953	17.0
75.00882	1.3
83.01382	9.8
85.02955	24.5
87.00893	1.6
89.02447	5.1
95.01418	3.3
97.02969	2.5
98.21836	2.0
99.00882	7.7
101.02444	41.3
102.02834	1.0
107.01423	4.2
109.02940	1.6
109.06628	0.9
113.02454	24.1
121.02941	3.7
125.02462	2.4
131.03511	20.1
143.03542	2.3
151.00388	14.7
159.03043	5.6
159.04224	1.1
161.04565	35.6
163.00397	3.0
178.99864	6.1
205.08653	1.6
226.02675	0.8
227.03543	3.0
229.04990	2.0
243.03009	3.1
245.04576	1.1
255.02995	9.7
256.03680	1.3
257.04614	1.0
271.02490	12.1
272.02774	1.7
273.03867	1.3
284.03268	4.3
285.04025	8.6
293.08798	1.0
300.02771	14.9
301.03540	61.1
302.03876	4.0
399.23877	100.0
400.18784	1.6
400.24081	10.4
443.22598	1.3
449.66312	0.9
531.28113	32.6
531.36078	1.9
532.28455	4.4
550.78156	1.0
563.13977	2.8
582.54797	1.1
591.13104	2.6
591.20978	10.7
592.21649	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.8
57.03447	1.8
58.66805	1.6
59.01093	3.6
59.01381	53.4
61.98838	21.3
69.03461	3.5
69.49393	6.7
69.49806	3.9
71.01385	60.8
72.99311	5.2
73.02958	11.4
78.95943	2.4
83.01379	5.3
84.96009	1.8
85.02949	20.7
87.00877	3.4
89.02445	27.3
95.01382	2.2
96.49901	1.6
98.22516	2.8
99.00899	7.1
101.02448	39.4
107.63361	1.6
113.02452	23.5
119.03565	3.6
125.02431	8.4
127.40585	1.7
127.45300	1.8
129.01970	2.0
131.03523	12.9
135.20325	1.5
135.37286	1.7
137.06094	3.2
143.03465	4.1
149.04610	11.2
159.03006	4.8
161.04576	32.5
174.13287	1.8
191.05664	3.8
237.18536	3.8
293.08807	10.2
399.23883	100.0
400.24399	4.9
531.28229	50.0
532.28540	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.7
57.03450	4.3
58.00597	1.1
59.01382	43.9
61.98840	1.7
63.02374	1.1
65.00333	2.3
69.03475	0.9
69.19555	6.9
71.01385	50.0
72.99303	2.1
73.02953	17.0
75.00882	1.3
83.01382	9.8
85.02955	24.5
87.00893	1.6
89.02447	5.1
95.01418	3.3
97.02969	2.5
98.21836	2.0
99.00882	7.7
101.02444	41.3
102.02834	1.0
107.01423	4.2
109.02940	1.6
109.06628	0.9
113.02454	24.1
121.02941	3.7
125.02462	2.4
131.03511	20.1
143.03542	2.3
151.00388	14.7
159.03043	5.6
159.04224	1.1
161.04565	35.6
163.00397	3.0
178.99864	6.1
205.08653	1.6
226.02675	0.8
227.03543	3.0
229.04990	2.0
243.03009	3.1
245.04576	1.1
255.02995	9.7
256.03680	1.3
257.04614	1.0
271.02490	12.1
272.02774	1.7
273.03867	1.3
284.03268	4.3
285.04025	8.6
293.08798	1.0
300.02771	14.9
301.03540	61.1
302.03876	4.0
399.23877	100.0
400.18784	1.6
400.24081	10.4
443.22598	1.3
449.66312	0.9
531.28113	32.6
531.36078	1.9
532.28455	4.4
550.78156	1.0
563.13977	2.8
582.54797	1.1
591.13104	2.6
591.20978	10.7
592.21649	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36029	0.2
59.01387	1.9
61.98833	100.0
69.43059	0.7
69.43461	0.4
71.01386	0.3
72.99339	0.3
89.02458	0.2
98.22520	0.3
177.02068	0.2
326.10938	0.2
369.09885	0.5
370.10196	1.0
374.29120	0.2
375.06497	0.2
492.61096	0.2
502.87729	0.2
533.27734	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.6
60.01711	1.0
61.98835	100.0
69.05492	3.6
71.01395	3.0
72.99327	1.2
73.02953	0.9
75.00869	0.5
83.01394	0.5
85.02965	1.6
87.00897	0.5
89.02454	1.1
97.02965	0.7
98.22353	1.7
101.02453	2.2
113.02482	1.0
119.03656	0.3
125.02446	0.4
131.03546	1.5
134.45171	0.3
137.06078	0.7
161.04610	1.4
171.59142	0.4
191.05672	1.3
364.46503	0.4
399.24057	1.5
400.24225	3.6
400.57086	0.5
401.25586	1.3
446.06244	0.5
474.18436	0.7
526.04175	0.4
532.27789	2.8
592.20502	0.6
592.29675	0.7
593.22711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34481	2.6
59.01093	5.2
59.01383	100.0
61.98837	73.2
65.49399	3.3
67.12622	3.0
69.03421	3.7
70.57727	5.0
70.58060	4.9
71.01377	11.2
71.39314	3.0
72.99313	20.0
73.02946	6.8
78.03032	3.1
78.97698	3.0
88.04939	2.8
97.02985	3.8
98.21898	5.6
98.22439	4.5
101.02450	5.2
113.02454	4.5
129.35789	3.4
161.04620	5.8
207.34564	3.8
357.13461	11.0
372.15689	6.3
387.18106	18.4
400.24203	7.0
434.22421	6.8
532.28131	7.7
533.27643	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	20.4
61.98834	98.9
69.32206	3.0
69.32516	24.4
71.01397	13.2
72.99290	4.0
75.00874	8.8
75.24882	3.0
85.02958	6.6
88.22431	2.8
89.02457	12.9
98.22336	10.2
101.02472	17.1
104.47921	3.1
113.02483	5.6
149.04601	6.5
163.04039	3.5
191.05681	10.0
239.11002	3.5
244.15340	3.4
283.09866	9.7
297.11377	4.9
298.12067	12.1
341.13907	9.6
355.15363	4.3
357.13455	27.9
372.15842	15.3
387.18155	100.0
387.23154	5.2
388.18497	9.0
399.23953	8.8
400.24173	17.1
470.79626	3.8
532.28235	7.7
557.20538	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
60.85555	0.9
61.98835	100.0
62.73324	0.8
69.07259	3.8
69.07685	3.8
80.96529	3.3
94.98126	1.3
104.20386	0.9
121.02966	45.8
136.49779	0.9
138.04373	0.9
155.00345	1.0
165.01984	1.3
181.06688	1.9
209.04564	30.7
500.06186	1.1
505.11920	1.1
523.43884	1.0
532.61072	0.9
549.10388	3.4
593.12854	4.5
593.26526	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96867	0.7
52.16839	0.8
59.01388	3.8
61.67895	0.6
61.98835	100.0
63.74202	0.7
67.69512	0.6
70.35842	2.4
72.16468	0.7
78.91904	2.1
84.85300	0.8
98.90466	0.8
99.04527	17.7
113.85812	0.6
121.02972	14.4
209.12019	0.8
278.54788	0.8
341.25284	0.8
342.08179	0.6
385.23941	2.0
414.79547	0.7
425.27057	2.1
485.29297	1.9
592.22852	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85946	1.0
51.76908	1.2
52.13713	0.9
59.37892	1.0
61.98833	100.0
64.70958	0.9
64.95207	1.0
66.53505	1.0
71.29451	1.5
86.82509	1.1
125.02509	1.2
132.07880	1.0
166.21365	1.0
217.00188	1.1
280.59613	1.1
283.72891	1.3
473.16248	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
61.08707	0.4
61.98833	100.0
63.99273	0.6
69.01834	2.5
69.02252	1.9
78.91883	0.7
80.96536	0.8
82.95433	1.4
84.95128	0.8
94.38882	0.5
98.21725	0.9
140.90468	0.5
255.03035	0.5
593.15741	0.7
593.26636	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
61.08707	0.4
61.98833	100.0
63.99273	0.6
69.01834	2.5
69.02252	1.9
78.91883	0.7
80.96536	0.8
82.95433	1.4
84.95128	0.8
94.38882	0.5
98.21725	0.9
140.90468	0.5
255.03035	0.5
593.15741	0.7
593.26636	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29270	1.5
57.03447	4.5
59.01381	23.7
60.01706	1.5
60.87551	1.5
61.98836	100.0
69.03468	1.7
69.06914	7.4
69.07320	4.2
71.01389	13.5
72.39585	1.6
72.78880	1.3
72.99310	4.8
73.02953	10.6
75.00869	5.8
83.01405	1.8
85.02956	6.7
87.00891	2.7
89.02438	9.4
89.90627	1.4
97.02943	3.1
98.22173	6.7
99.04523	2.1
101.02435	9.2
109.06614	2.2
113.02467	3.7
116.92887	1.7
119.03469	2.8
121.06589	1.6
125.02447	4.0
131.03502	3.8
131.93047	1.4
137.06114	3.7
138.06441	1.6
144.50043	1.4
149.06059	2.2
175.07626	1.5
179.10762	2.2
191.05687	4.6
209.50179	1.5
251.16594	5.9
252.16898	2.2
307.10251	3.2
334.58777	1.2
356.19467	1.6
399.23813	5.0
400.24304	8.3
401.25369	2.3
447.23962	4.1
474.18454	9.7
516.20007	1.8
530.21545	1.4
532.28192	5.4
533.30444	6.9
548.22046	3.4
549.27313	13.7
550.27515	1.8
592.21204	41.7
593.21985	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
61.98833	100.0
62.98540	0.2
71.01401	0.6
73.02964	0.2
76.57162	0.2
79.81947	0.2
85.02970	0.3
89.02463	0.5
98.22546	0.3
101.02470	0.3
113.02457	0.2
120.01262	0.8
131.03572	0.2
131.25735	0.2
137.02563	0.2
149.04456	0.2
161.04582	0.2
201.11255	0.2
227.03798	0.2
274.86572	0.2
284.03384	0.2
285.04034	0.2
399.24069	0.3
400.24576	0.3
401.25522	0.3
533.33844	0.2
592.28973	0.2
593.14746	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91241	0.3
59.01375	0.3
59.98342	0.3
61.98834	100.0
69.63120	0.4
69.63512	0.9
69.69955	0.3
71.01385	0.7
72.49062	0.3
78.95918	0.4
78.98610	0.6
79.77021	0.3
79.95764	1.0
80.96519	5.2
80.96985	0.4
82.96152	0.4
85.02984	0.5
94.98118	1.3
101.02489	0.3
104.55463	0.3
122.97587	0.4
124.60621	0.3
141.25327	0.3
148.99178	0.5
149.03897	0.3
164.98677	0.9
172.46477	0.3
191.05640	0.3
209.11879	0.3
225.00873	1.0
226.01111	0.3
395.28131	0.8
592.25183	7.9
593.25848	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95378	0.3
59.01389	1.3
60.52809	0.3
61.98834	100.0
63.99270	0.4
80.96543	0.6
89.02509	0.6
90.98625	0.9
98.22552	0.8
101.02464	0.6
117.18781	0.4
151.00398	0.4
186.19313	0.4
191.05746	0.4
229.32649	0.4
280.97446	0.4
293.21402	0.8
298.24420	0.4
309.59839	0.3
395.28302	0.5
405.64816	0.4
592.25317	0.4
592.34137	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	16.2
68.99013	14.5
68.99385	1.6
70.36783	1.4
70.75114	1.6
81.03458	3.5
83.01379	4.8
93.03480	3.7
97.02967	2.7
107.05049	2.0
109.02953	21.3
121.02962	10.1
123.04520	12.7
125.02459	95.5
126.02771	3.2
133.02951	3.4
137.02449	23.2
139.04018	4.2
143.04977	2.0
149.02460	14.0
151.03993	14.8
159.04492	5.2
161.02457	5.1
161.06078	4.0
163.04019	4.1
164.01186	3.9
165.01894	5.1
167.03481	2.7
175.03993	10.5
175.07616	2.0
177.01942	100.0
178.02290	3.4
179.03481	4.8
185.06116	2.1
187.03995	8.5
188.04803	4.3
201.05530	1.7
202.06415	2.7
203.07176	9.3
205.05063	7.4
211.04083	1.8
213.05537	1.5
215.03485	2.4
217.05045	2.9
221.08237	2.2
227.03445	2.0
229.05060	4.7
231.03040	1.8
243.02971	3.4
245.08180	11.7
255.02913	10.3
256.03680	6.3
257.04520	2.6
269.04575	2.2
273.04001	6.1
281.04578	3.3
283.02502	2.9
285.03928	2.0
289.07211	72.6
290.07455	5.9
297.04379	1.9
303.05026	5.7
305.06760	1.7
315.05066	2.0
339.08719	5.0
381.09766	2.6
407.07730	67.8
408.08167	7.6
423.07269	2.0
425.08838	28.5
441.08295	3.0
467.09625	7.7
593.13000	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1307
Annotation	CHEBI:75674
Peak:m/z	Relative Intensity
57.03450	14.5
58.76701	1.2
60.99308	4.2
63.73201	1.4
74.97598	1.4
81.03448	1.7
82.79767	1.5
83.01383	5.0
88.98808	25.6
93.03477	5.2
94.59423	1.2
95.01437	2.6
95.04997	1.7
97.02955	6.3
98.21770	2.2
107.05052	2.0
109.02965	25.8
111.00883	2.8
113.95714	1.3
121.02985	7.6
122.03680	1.3
123.04519	11.7
125.02455	100.0
126.02801	2.3
133.02971	3.6
135.04544	2.9
137.02464	23.7
139.00366	2.4
139.04042	8.2
149.02444	11.8
149.43765	1.6
151.03983	14.3
151.05008	1.7
159.04555	2.5
160.72255	1.3
161.02473	7.3
161.06134	2.7
162.03232	1.6
163.00366	2.0
163.04039	4.7
164.01199	4.1
165.01967	5.5
166.62308	1.4
167.03537	5.6
175.04024	12.6
176.04666	1.6
177.01944	97.4
178.02388	4.8
179.03531	6.6
179.91901	1.5
185.06146	1.8
187.03999	9.3
188.04808	2.8
189.01999	1.6
203.07123	8.8
205.05080	6.6
211.04063	1.8
215.03546	2.7
217.05066	2.2
219.06480	2.1
221.08199	1.7
227.03581	2.4
229.05060	4.3
243.02861	3.2
245.08224	12.0
247.06154	2.4
255.02966	11.4
256.03717	5.9
257.04602	2.7
261.04019	3.1
273.04053	6.3
275.44461	1.5
281.04623	4.3
283.02515	3.5
285.04138	3.7
289.07205	60.2
290.07593	4.5
297.04016	2.5
303.05185	7.1
305.06686	12.6
315.05157	2.8
321.04407	2.5
339.08813	5.3
369.09799	2.0
381.10007	2.4
407.07751	66.0
408.08090	6.7
423.07150	9.0
425.08820	25.0
426.09033	2.3
441.08322	11.9
467.09940	9.5
560.85455	1.6
593.13062	11.4
594.13782	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91524	1.3
57.03453	13.1
69.11159	10.4
74.12570	1.2
81.03451	1.4
83.01389	5.3
93.03447	3.8
97.02982	3.3
107.05033	1.9
109.02966	18.4
121.02972	9.1
123.00782	1.3
123.04530	15.4
124.01656	2.0
125.02460	90.4
126.02784	2.4
126.92125	1.4
131.05043	1.7
133.02930	3.4
135.04506	2.6
137.02472	20.3
139.04012	3.9
145.02925	2.0
149.02466	12.2
151.04024	15.2
159.04446	2.7
161.02422	2.2
161.06120	2.7
163.04065	2.9
164.01167	3.0
165.01927	4.6
167.03502	3.7
173.45325	1.5
175.04066	9.8
175.07585	1.5
177.01950	100.0
178.02283	2.2
179.03557	4.1
185.06058	1.4
187.04030	6.7
188.04752	4.2
203.03481	1.4
203.07149	10.0
205.05080	6.5
211.03976	1.9
213.05602	2.6
215.03712	1.9
217.04890	1.6
219.03117	2.1
221.08150	1.5
227.03616	2.1
227.07130	1.9
229.04984	4.5
243.03058	4.0
244.73409	1.6
245.08261	11.8
255.02980	13.4
256.03723	7.0
257.04504	1.6
261.04089	1.6
270.88019	1.3
273.04056	5.6
281.04584	3.9
285.04050	4.1
289.07208	62.0
290.07419	1.7
297.04233	2.2
303.05273	7.8
305.06714	3.1
306.32849	1.4
315.05154	3.1
339.08676	5.3
381.09903	3.4
407.07739	70.9
407.67050	1.7
408.08099	5.4
425.08765	26.3
426.09116	1.9
431.83011	1.5
441.08643	3.0
467.09921	6.4
497.93405	1.7
593.12970	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	35.8
62.98569	0.5
68.29659	0.3
69.54969	2.0
77.03972	0.4
78.66761	0.3
78.91902	0.7
80.91685	0.8
91.01981	0.4
98.22433	0.6
120.02168	0.8
121.02966	100.0
122.03320	2.7
136.01643	0.8
163.04141	0.3
165.01936	4.4
180.05856	0.4
181.05266	0.4
181.06638	2.3
194.44963	0.4
197.06085	1.4
200.69580	0.4
207.04578	0.9
209.04559	60.8
210.04930	2.5
225.05627	1.3
251.07166	0.4
257.09650	1.0
269.33524	0.4
301.08469	0.5
313.07083	1.8
330.08405	0.4
357.06192	1.1
383.07657	1.2
401.08484	0.5
417.09845	1.4
505.11359	2.8
506.11609	0.6
544.69934	0.4
549.10358	5.6
550.10437	0.5
593.13049	9.7
593.23224	0.5
593.26868	0.6
594.13428	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1304
Annotation	Kaempferol 3-(3''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
55.27114	1.1
57.03448	18.6
63.80743	1.1
69.70235	4.3
75.66950	1.2
81.03451	2.7
83.01389	5.1
93.03477	3.3
95.05043	2.0
97.02969	4.8
98.21732	1.1
105.03455	1.3
107.05039	1.4
109.02959	16.4
111.74632	1.1
121.02962	8.3
123.04549	11.4
125.02455	95.2
126.02805	2.7
128.03493	2.6
133.02966	2.7
137.02458	23.2
139.04012	3.7
147.04558	1.6
149.02444	12.2
151.04036	10.1
155.82010	1.4
159.04572	3.0
161.02414	3.5
161.06091	2.2
163.00389	2.3
163.04019	4.2
164.01143	3.4
165.01917	5.2
167.03505	3.0
173.06129	1.4
174.84221	1.2
175.04002	8.5
175.07599	1.1
177.01941	100.0
178.02278	2.8
179.03505	3.5
184.05359	1.3
187.04016	5.7
188.04825	3.1
191.03523	2.0
193.05074	1.2
201.05499	1.6
203.03471	1.2
203.07051	8.3
205.05052	5.8
213.05533	1.5
217.05217	1.5
221.08188	2.5
229.05046	4.1
243.03085	1.9
245.08218	11.0
246.15945	1.3
247.06097	1.7
255.02933	6.9
256.03793	3.0
269.04468	1.5
272.08939	7.2
273.04050	6.2
281.04550	2.6
284.03250	2.7
285.04047	4.2
289.07196	66.1
290.07504	4.0
297.03937	1.5
303.05063	8.0
315.05051	4.0
321.04446	3.6
339.08829	3.5
381.09708	1.9
407.07730	40.5
408.08304	3.8
425.08835	14.2
441.07846	2.0
467.09894	5.7
484.06232	1.3
593.13110	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57217	2.8
53.97575	3.3
57.03448	9.1
59.01389	3.1
69.03461	3.5
69.25363	23.5
71.01401	5.8
81.03449	6.5
83.01369	15.5
89.02454	4.0
93.03475	7.0
95.01373	6.9
95.05042	7.9
97.02960	12.1
98.22550	4.7
99.00893	14.9
109.02960	97.7
109.03717	5.3
111.00889	44.8
121.02984	12.8
122.03730	9.2
123.00906	44.3
123.04528	47.4
125.02452	64.1
126.02827	4.6
133.02988	7.0
135.04541	11.5
137.02437	55.9
139.00383	42.3
139.03993	11.3
141.01941	47.8
145.02954	7.4
146.03745	5.4
149.02464	30.8
150.03143	6.6
150.99550	2.9
151.00391	31.6
151.04027	34.3
153.01982	12.1
159.04533	11.6
161.02458	59.1
161.06140	17.0
162.03201	8.1
163.00391	18.0
163.04053	10.4
164.01160	9.7
165.01950	24.4
165.05505	4.9
167.03470	10.2
174.03293	4.2
175.00359	4.4
175.04059	19.2
175.05307	3.8
177.01965	36.5
178.02643	6.8
179.03522	24.8
185.06163	5.8
187.04036	13.6
188.04810	5.7
189.01921	5.9
189.05545	7.6
191.03558	11.2
201.05574	7.8
202.06396	7.0
203.03535	9.4
203.07176	23.4
205.01463	11.9
205.05032	22.4
207.02985	6.5
213.05705	5.3
215.06973	7.2
217.04982	9.0
219.03059	6.0
219.06548	7.4
221.08090	3.9
225.05511	5.5
227.03523	6.9
227.07079	5.4
229.05083	5.3
231.03043	5.9
237.07727	5.7
241.05118	8.7
243.03180	5.0
243.06706	4.7
245.04535	11.2
245.08234	20.4
247.06166	8.0
255.02922	8.5
257.04471	5.6
257.08322	3.6
259.06204	5.1
261.04034	77.3
262.04285	6.0
267.06158	3.7
271.06146	4.9
273.03976	5.0
281.04355	4.1
283.02634	4.1
283.06149	11.6
284.03250	7.8
285.04013	22.5
289.07193	100.0
290.07581	8.1
299.05716	6.5
301.07104	12.1
303.05371	4.7
305.06674	7.2
313.07181	3.5
327.05246	11.3
329.06723	19.3
330.07388	7.0
331.08252	38.4
341.06717	16.9
341.75238	3.4
381.10089	5.2
397.09564	5.6
399.10913	11.7
421.09454	6.9
423.07135	8.3
425.09052	7.7
441.08276	12.3
443.09518	5.5
451.10345	21.1
453.11948	41.2
465.08386	6.8
469.12643	3.6
484.09879	4.4
489.11829	5.9
513.12018	4.6
531.12921	10.8
538.81580	3.6
539.09326	5.2
557.10596	9.5
575.12097	22.0
576.12476	3.8
593.13159	47.3
594.13330	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98278	1.9
54.04128	1.8
57.30552	2.2
57.43133	2.0
69.94664	4.1
69.95048	4.8
78.95923	2.4
85.02969	2.0
88.98815	6.6
93.03467	11.3
93.05539	2.7
96.96022	3.2
109.02953	6.0
111.00885	2.9
111.04536	3.1
119.05044	9.1
125.00986	3.8
125.02432	10.3
126.98891	7.6
127.02543	3.1
135.66461	2.2
137.02477	7.3
141.04091	3.4
145.02991	5.2
147.02986	2.1
149.00966	5.8
151.02542	6.0
157.03590	3.6
159.04544	2.2
161.02377	2.2
163.04041	3.7
167.01988	3.7
168.99979	7.6
169.06631	2.3
171.08168	7.2
177.00500	2.9
177.01857	4.4
191.05725	4.4
193.06598	4.0
195.01550	13.4
195.08234	4.1
203.02013	4.7
207.48747	2.0
209.06148	3.9
211.07664	12.6
212.08319	2.0
213.02591	8.1
213.09061	2.6
217.72229	2.0
221.03122	5.1
229.07193	3.1
231.03613	9.1
231.51527	1.9
251.05643	8.6
253.07268	16.2
269.06729	2.7
271.04739	2.6
271.08224	3.0
279.05133	9.4
279.08221	2.0
289.07123	2.5
297.06219	25.2
298.06552	3.0
313.05768	3.5
314.26865	2.0
315.07281	7.2
323.07742	3.2
329.04877	2.4
341.05200	6.3
343.73956	2.3
359.06433	10.6
367.06885	5.5
377.07382	13.2
387.07828	14.8
401.07407	3.7
407.07462	4.3
409.07687	3.3
425.08575	3.3
447.07660	4.3
453.10593	4.2
471.11484	3.7
515.10443	56.4
516.10571	7.4
533.11591	100.0
534.11755	15.9
551.12579	17.7
552.12360	2.6
593.13684	57.2
594.13928	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35157	1.0
59.01373	4.2
61.98816	3.7
65.00329	1.8
66.14381	0.9
71.01374	2.9
72.99305	1.1
77.19422	0.9
85.02934	2.3
87.00868	0.9
89.02444	2.0
93.02282	1.1
93.03433	1.2
97.02951	1.3
101.02446	1.3
107.01451	2.4
109.02989	1.2
113.02416	1.0
115.37286	0.9
118.76314	0.9
123.04594	1.0
125.02441	3.2
151.00381	10.2
171.04524	1.4
175.03975	1.0
178.99838	3.3
179.03549	1.2
181.82719	1.0
183.04491	1.3
185.02354	1.4
185.05992	1.9
187.04015	1.8
192.00635	1.0
199.04036	6.7
201.02000	1.3
211.03751	1.2
213.05568	1.5
215.03549	4.3
227.03511	17.1
229.05019	6.9
230.88474	1.0
239.03195	1.1
242.02234	3.7
243.02989	27.2
244.03392	1.1
255.00438	2.0
255.02985	24.2
256.03543	1.6
257.04636	7.6
259.06155	1.4
270.01758	4.0
271.02496	55.6
272.02954	4.5
284.03281	15.0
285.04059	73.9
286.04541	6.7
287.05392	1.2
299.01971	80.0
300.02695	26.7
301.03305	3.7
303.04703	2.1
314.04315	65.0
315.05023	16.5
316.05603	1.6
575.14124	8.5
593.15063	100.0
593.22504	5.1
594.15375	9.4
617.26013	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60432	0.5
65.00326	1.2
67.23862	0.6
69.46932	0.6
69.47247	3.4
70.59496	0.5
83.01396	0.8
99.60416	0.5
107.01385	1.7
109.06550	0.6
114.06008	0.5
114.34266	0.5
123.04512	0.6
127.07672	0.6
132.02148	1.2
135.00905	1.2
151.00372	3.6
163.00328	0.7
164.01086	0.7
178.99886	1.1
183.04492	1.0
185.02509	0.7
185.06148	0.6
187.03983	0.8
191.00038	0.6
211.04021	1.3
227.03519	41.5
228.03915	2.1
229.05034	1.3
239.03502	1.0
255.03008	73.0
256.03577	7.8
257.04443	1.1
283.02444	1.9
284.03278	100.0
285.03952	19.3
286.04398	0.8
429.08472	2.0
547.67859	0.5
549.23425	1.7
593.15106	63.6
594.15533	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88190	0.5
57.03475	0.8
59.01377	1.2
59.53817	0.6
63.02427	0.6
65.00342	2.4
69.41653	1.8
69.42078	1.2
73.58805	0.6
74.17069	0.6
83.01385	1.2
85.02979	1.3
87.00902	1.2
89.02426	1.3
91.14833	0.5
100.22494	0.6
101.02451	0.8
107.01408	4.1
109.02972	0.7
109.06625	1.7
119.05035	7.3
121.03011	0.8
123.04530	1.3
125.02451	3.6
132.02170	0.9
133.02957	0.7
135.00876	1.3
135.04620	0.7
135.08185	0.6
137.02486	0.8
137.06090	1.2
151.00389	11.0
151.03996	2.6
151.07643	1.1
152.01180	0.8
159.04578	0.8
161.06041	0.8
163.00410	1.1
163.04031	6.7
164.01134	0.7
172.05357	0.6
173.06155	0.6
175.04065	0.7
176.45241	0.5
177.01938	1.1
178.99913	2.2
183.04541	1.1
185.06131	0.8
187.04080	1.7
189.05458	0.6
199.04054	1.1
211.04025	1.5
212.04655	0.8
213.05423	0.7
226.02560	0.5
227.03513	36.6
228.03952	1.8
229.05042	2.1
231.10190	0.5
239.03407	1.3
241.05115	1.0
255.02998	73.4
256.03577	6.6
257.04587	2.6
283.02332	1.3
284.03271	100.0
285.04013	38.1
286.04379	1.3
289.06989	0.6
303.05215	1.1
305.19824	0.6
307.87915	0.6
310.73648	0.6
327.04932	0.7
429.08194	1.7
459.53281	0.6
473.11261	0.6
503.89194	0.6
531.22626	0.7
575.21851	1.2
593.14819	60.2
593.22766	12.0
594.15137	7.4
594.23206	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.0
63.02414	1.0
71.01373	1.4
78.76235	0.7
92.84881	0.7
98.22612	1.5
107.01403	2.4
108.35139	0.8
125.02455	0.9
129.13617	0.9
135.00894	1.5
146.58847	0.9
151.00401	3.7
159.04507	1.1
163.00386	1.9
169.06580	0.8
185.06099	2.2
187.04022	1.8
197.06071	1.0
199.04013	0.9
203.59396	0.9
211.04031	2.2
213.05591	1.4
227.03520	17.0
228.03947	1.2
229.05051	12.1
241.05084	1.5
243.02963	3.1
255.03003	30.4
256.03702	2.9
257.04620	6.3
259.06393	0.8
271.02518	18.5
272.02963	1.3
284.03281	22.5
285.04059	100.0
286.04352	5.5
299.01868	2.5
300.02759	38.0
301.03461	3.9
338.11334	1.0
572.87524	0.9
575.14026	11.2
593.15076	17.4
594.15149	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63519	0.6
57.03437	1.0
63.02399	0.8
65.00319	1.5
67.17468	0.7
70.73857	0.6
80.56575	0.7
83.01374	1.5
91.39682	0.8
93.03458	2.2
107.01405	4.4
109.02958	1.4
121.02981	0.9
125.02448	5.0
135.00880	1.6
143.04980	1.1
151.00369	8.6
152.01151	1.4
157.06639	0.8
159.04478	1.1
163.00415	2.4
164.01201	0.7
165.01834	1.0
167.05008	0.6
171.04543	0.9
178.99857	2.0
183.04544	1.4
185.06049	2.3
187.04045	3.7
189.05602	0.8
195.04482	0.7
197.06026	1.2
199.03964	2.0
201.05573	0.8
211.03978	3.1
213.05505	3.2
227.03516	37.0
228.03925	2.7
229.05087	10.6
230.05551	1.1
239.03526	2.1
241.05103	2.2
255.02998	65.1
256.03580	7.5
257.04587	7.1
259.06116	4.9
267.03018	0.9
271.02408	0.7
283.02600	2.2
284.03284	65.5
285.04047	100.0
286.04419	4.5
287.05640	6.6
303.04962	0.8
357.13641	0.8
593.15167	89.1
594.15460	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04465	0.5
55.82067	0.6
55.98030	0.5
56.46297	0.4
63.02388	0.7
65.00316	1.2
69.27531	2.5
73.42649	0.5
78.30303	0.4
79.36050	0.4
79.88509	0.4
83.01383	1.0
93.03444	0.5
94.90492	0.5
99.21579	0.6
106.27103	0.4
107.01393	2.7
109.06603	0.9
123.04577	0.7
125.02499	0.6
132.02173	1.1
135.00859	1.6
151.00395	4.8
157.06429	0.5
163.00371	2.2
164.01166	1.0
167.04945	0.5
171.04599	0.6
183.04585	0.8
185.02460	0.6
185.06053	1.3
187.03992	2.1
189.05507	0.6
197.05971	0.5
200.04893	0.6
211.04002	2.4
213.05569	1.3
227.03513	43.2
228.03946	2.2
229.05049	6.0
239.03433	1.3
240.04214	0.7
240.80952	0.5
241.05009	0.9
255.02997	77.7
256.03577	8.4
257.04523	4.0
269.04462	0.6
283.02258	0.6
284.03275	94.1
285.04004	37.3
286.04425	1.9
327.05157	1.5
381.59464	0.7
505.98062	0.5
509.75845	0.5
530.54401	0.6
593.15051	100.0
594.15375	12.9
594.24249	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.7
59.39785	0.7
60.24339	0.8
60.99311	11.5
65.03948	1.1
69.54787	2.0
69.55188	2.8
77.69943	0.8
83.01399	1.7
88.98814	100.0
93.03509	1.3
94.19845	0.8
95.05058	0.9
101.06450	0.9
109.02976	6.1
111.00925	1.4
120.51065	0.8
121.02978	2.3
123.04556	4.7
125.01542	1.5
125.02457	29.2
133.02908	1.5
137.02455	5.8
139.00423	1.0
139.04060	1.9
149.02441	3.8
151.04047	4.5
159.04544	1.2
161.02495	1.4
161.06093	1.2
163.04022	1.4
164.01082	1.0
164.60173	1.0
165.01941	1.5
167.03516	1.5
175.03958	4.2
177.01945	23.8
179.03488	2.4
187.04047	2.2
188.04678	1.1
191.03448	1.1
203.07137	2.1
205.05054	1.1
213.05490	1.1
217.05276	1.3
229.05058	1.7
243.02942	1.6
245.08229	3.5
255.02959	2.9
256.03870	2.5
261.04028	1.0
269.04819	1.0
273.03940	1.5
285.04071	1.4
289.07233	17.1
289.10162	1.4
297.04150	1.4
303.05096	1.8
305.06638	3.0
340.72372	0.9
407.07724	14.8
408.08517	1.3
423.07086	2.8
425.08600	5.7
441.08353	4.1
467.09897	2.0
593.13104	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10178	0.4
60.99312	17.0
65.68446	0.4
70.45778	0.9
70.46111	0.6
88.98813	100.0
89.99136	0.5
93.52253	0.4
125.02504	2.0
177.01999	2.0
217.68661	0.4
235.73878	0.4
266.87546	0.4
289.07220	1.3
292.53354	0.5
407.07166	1.0
445.74725	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04544	1.1
57.03442	2.0
59.01377	6.5
61.98833	42.1
65.33891	1.2
68.84859	1.2
71.01387	9.5
72.99304	1.2
73.02973	2.8
78.91898	2.2
78.95903	3.9
78.98592	5.1
79.95745	11.6
80.96523	55.7
82.95408	1.5
85.02946	3.8
87.00876	3.4
94.98099	13.4
96.96033	2.2
97.02950	3.9
98.21820	3.4
101.02445	4.3
106.98110	1.6
109.06585	2.4
122.97540	5.6
123.04485	1.6
124.82561	1.2
125.02475	3.6
134.97580	4.4
135.04509	1.4
136.99159	1.3
137.06087	1.5
140.19162	1.4
148.99133	5.4
152.98645	6.7
163.11276	2.3
164.98650	11.0
169.48419	1.3
182.99628	1.3
191.05656	3.2
206.99707	3.8
225.00754	14.7
243.01758	1.9
263.09149	1.2
283.86539	1.2
299.04532	3.0
328.44644	1.1
357.53748	1.3
382.77069	1.2
557.20239	54.5
558.20337	7.1
593.26367	100.0
593.36084	4.9
594.26831	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07745	1.4
57.03455	1.3
59.01375	6.5
61.98824	9.0
64.72589	1.8
67.01897	34.7
69.01250	9.2
69.01657	3.8
69.03442	2.7
70.12981	1.2
71.01392	2.4
72.99312	100.0
73.02978	1.3
75.00869	2.9
79.05550	2.3
85.02961	6.0
87.00886	2.2
89.02446	1.6
93.03443	2.7
95.05032	3.7
97.02975	10.3
97.06595	5.1
98.22177	7.5
105.98164	1.4
107.05044	6.3
109.02951	2.7
109.06599	14.0
112.98833	4.9
113.06076	2.2
121.06622	3.6
122.03763	2.9
123.04544	20.8
125.02418	2.5
125.06091	23.1
129.05705	1.3
135.08148	1.9
135.40460	1.3
136.05278	1.7
137.06097	43.3
139.04024	5.0
147.02910	2.3
147.08173	2.1
149.06093	2.3
151.07660	3.1
153.05580	1.5
161.09686	2.4
163.07651	3.4
163.11334	2.6
165.05562	3.2
165.09183	3.3
167.03529	3.1
169.05080	58.2
170.05408	1.7
173.09706	2.3
175.07588	1.6
177.48582	1.3
179.07191	7.6
183.06630	30.7
185.06070	2.5
187.06131	86.0
188.06445	2.5
191.07129	3.7
191.10799	2.3
195.06602	1.5
195.69943	1.4
200.08406	4.8
203.10777	1.4
215.10788	15.8
217.08672	2.8
224.84227	1.4
227.03558	1.9
229.05104	2.0
244.20369	1.3
245.06650	3.5
249.11267	1.8
255.02983	3.2
259.09729	4.1
277.10858	4.7
279.08752	2.4
284.03311	2.5
285.04105	9.4
297.09879	6.0
329.13892	2.6
333.13654	3.0
347.15009	7.1
389.75208	1.7
405.15677	1.6
408.02957	1.4
465.19113	7.6
477.18576	1.9
483.20230	9.9
495.20279	4.8
501.21307	2.7
513.21552	2.2
539.19403	4.9
557.20251	10.9
558.20575	1.7
575.21252	14.6
576.21484	2.1
593.22070	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92939	1.9
57.03453	4.2
59.01383	20.4
59.06909	2.1
61.98837	43.3
69.03455	5.4
71.01378	9.1
72.99314	100.0
73.02946	11.8
75.00889	6.8
77.21541	2.1
83.05080	5.1
85.02513	2.4
85.02947	11.0
87.00884	4.3
87.04533	3.0
89.02452	5.6
92.29382	2.1
93.03473	4.6
95.05051	7.7
97.02956	14.4
97.06615	3.8
98.21838	6.2
99.04520	6.6
101.02458	7.0
109.02972	4.0
109.06594	9.6
113.02448	3.7
113.06109	7.6
121.06618	5.9
122.03751	3.7
123.04534	6.8
125.02401	3.4
135.04500	3.0
136.05373	2.2
137.06097	28.3
139.07693	2.2
141.05603	8.1
149.06003	3.0
151.07661	3.9
159.04463	2.3
161.04510	2.6
163.07631	6.0
163.11325	5.4
173.04543	4.2
173.06145	2.4
175.07712	2.7
179.07211	2.7
185.04538	4.5
185.07765	2.1
189.09196	2.9
191.05588	10.0
191.10767	2.7
193.08817	2.7
199.17679	2.5
201.09258	3.4
203.05551	13.8
209.11865	2.5
219.10312	5.8
258.68051	2.1
273.11346	2.5
283.13229	4.0
284.03366	4.5
333.13394	5.9
341.13797	2.7
365.16025	5.8
373.16959	2.4
401.25314	4.7
415.17902	2.7
445.18539	3.4
447.20419	3.8
457.18713	5.3
465.19138	8.9
475.19711	11.4
476.20364	2.8
483.20404	11.0
501.18814	2.2
513.21271	3.8
531.22375	4.0
549.23389	4.7
557.20416	10.1
575.21271	19.7
593.22485	59.5
594.22577	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.1
59.01375	2.6
61.98844	3.1
63.46566	0.7
69.03458	0.6
69.12499	4.1
71.01379	1.6
72.99327	1.4
73.02957	1.5
77.82170	0.6
79.19875	0.7
83.05012	0.8
83.78299	0.6
85.02972	4.3
87.00883	6.0
89.02444	2.3
95.05063	1.1
97.02985	0.7
107.05087	1.3
109.06596	5.4
110.06915	0.6
113.06105	1.3
121.02958	0.7
121.06610	3.4
122.03741	1.4
123.04535	2.7
123.08184	1.2
125.06061	1.2
135.04532	1.0
135.08165	1.8
136.05376	0.8
137.06107	10.0
139.07672	1.8
147.03023	1.4
147.08174	1.2
149.09691	1.1
151.07675	2.0
161.06049	0.8
162.06775	0.7
163.07607	1.4
165.05603	1.6
165.09230	0.9
167.07173	2.1
173.06055	0.9
173.09705	2.1
174.06972	0.8
175.07704	1.2
175.11301	2.5
177.05588	1.6
177.09149	3.4
178.05945	0.6
179.07118	1.1
179.10823	1.4
185.09875	0.6
189.09236	1.5
191.07153	1.5
191.10767	1.8
191.38802	0.6
193.08681	1.6
195.06660	1.6
209.08170	0.8
215.10854	1.3
217.08743	2.5
229.08614	0.6
231.10265	1.1
235.09808	1.7
241.87204	0.7
253.12355	1.0
269.57089	0.6
284.03458	0.8
313.63449	0.7
325.18448	0.9
367.19360	0.8
369.17374	0.8
411.18207	0.8
413.16028	0.8
427.17239	1.5
451.21719	0.8
453.19604	1.1
471.20245	1.6
513.21515	1.5
515.18958	0.9
531.21851	1.3
533.20435	2.2
549.23706	1.1
575.21576	1.3
593.22443	100.0
594.22797	10.4
607.80963	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.5
58.65226	1.6
59.01373	11.5
61.98841	12.3
62.58746	1.5
67.01875	7.1
69.03166	6.1
69.03586	8.9
71.01376	7.9
72.99311	28.2
73.02945	2.8
85.02953	9.0
87.00863	7.2
89.02432	5.7
93.03486	2.8
95.05011	2.0
97.02951	3.7
97.06571	2.3
99.00928	1.5
99.04489	1.7
101.02443	5.8
107.05036	3.1
109.02935	2.0
109.06594	10.0
113.02428	2.1
114.68508	1.5
121.02975	1.7
121.06593	4.9
122.03815	1.5
123.04515	4.8
123.08169	2.7
125.02416	3.0
125.06075	3.9
127.03948	1.5
131.03465	3.9
135.04532	2.4
137.02376	1.8
137.06099	15.8
137.67223	1.6
139.07664	2.5
147.03018	2.5
147.08066	1.8
149.06059	2.7
151.00294	2.5
151.07637	1.6
157.06621	1.9
161.04565	2.0
161.05986	2.2
163.07713	2.1
163.25861	1.7
169.05063	12.3
175.07671	2.1
177.05534	2.0
177.09232	2.7
179.07083	4.8
179.10727	2.8
183.06572	4.1
185.06039	2.1
187.04030	3.3
187.06102	13.2
189.05632	1.6
189.09108	1.8
191.05592	9.1
191.07086	2.1
213.07558	1.8
215.10721	3.4
227.03542	15.0
229.05067	8.3
229.70721	1.9
255.02998	22.0
256.03302	3.2
257.04529	4.4
259.09906	2.2
284.03244	27.2
285.04053	90.9
286.04419	5.9
287.05801	1.9
353.13870	2.0
393.17010	3.3
401.24875	2.9
403.08170	1.8
411.18423	2.8
429.18726	1.7
465.18958	2.9
483.20093	2.7
513.21136	1.9
531.22284	4.2
533.20520	2.3
549.23462	5.5
557.19916	3.1
575.13660	11.2
575.21814	8.5
593.22180	100.0
594.22522	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30318	0.8
57.03452	6.1
59.01379	2.2
69.01723	6.9
73.21208	1.0
73.86848	1.1
81.03461	1.7
85.02960	2.5
87.00878	2.0
93.03518	1.3
95.05022	1.5
97.02973	2.5
107.01385	1.3
107.05043	1.6
108.02158	1.6
109.06605	11.0
117.50358	0.9
121.02970	1.4
121.06612	6.3
123.04543	1.3
123.08227	1.3
126.85292	1.0
133.02974	3.0
133.06635	1.6
135.04605	1.7
135.08182	2.6
137.06108	5.2
139.07646	5.2
141.07111	2.9
149.06099	2.6
151.00414	2.7
151.07680	1.6
161.06073	1.6
161.09738	1.3
163.07712	4.0
164.08423	1.7
167.07217	1.6
177.09245	3.0
179.10789	5.3
181.08719	1.1
185.06026	1.4
189.09189	1.7
191.07239	2.7
199.07686	2.0
199.11281	1.7
203.07230	1.2
205.08759	1.6
207.10367	1.4
209.08202	1.3
211.04034	1.0
213.05428	1.3
221.09775	1.0
227.03543	3.8
229.05119	1.7
237.09312	1.6
241.05122	1.5
243.03035	2.7
255.03023	14.4
255.10284	1.3
257.04672	1.6
271.02496	18.3
272.03003	1.4
273.11227	1.5
277.12280	1.2
284.03412	6.0
285.04068	23.1
286.04327	2.4
300.02777	35.8
301.00232	1.0
301.03488	6.1
301.10925	2.0
303.04929	1.0
307.13544	1.4
325.14713	1.8
335.12811	1.2
347.16281	1.1
349.18149	1.9
353.14157	1.3
365.17609	2.2
375.16125	2.9
393.17041	3.7
405.20914	1.5
407.22375	2.9
411.18204	2.4
420.54364	1.1
429.19315	2.2
487.23495	1.7
531.22229	4.8
549.23267	10.2
575.14093	1.4
593.14941	12.7
593.22644	100.0
594.15131	1.8
594.23016	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21083	2.5
57.03442	6.1
58.00585	5.6
59.01090	4.9
59.01383	98.0
71.01389	76.3
71.30938	3.7
72.99326	6.8
73.02947	11.3
73.26349	2.3
75.00880	20.8
76.94767	2.6
81.03423	2.5
83.01396	7.7
85.02948	20.1
87.00884	3.2
89.02451	100.0
95.01375	3.5
97.02968	5.5
99.00877	13.3
101.02457	50.7
106.13296	2.3
109.02967	18.6
111.00173	2.3
111.00889	11.7
113.02431	18.7
119.03506	8.2
121.02965	3.3
123.00885	10.0
123.04530	8.1
125.02460	17.4
131.03505	72.1
135.04550	6.4
137.02449	11.5
139.00392	9.7
141.01965	14.1
143.03510	6.2
147.04482	3.5
149.02440	7.8
149.04564	71.2
151.00363	10.8
151.04034	10.1
161.02472	15.0
161.04573	9.2
163.00377	3.7
163.04005	4.9
165.01968	4.4
165.09312	3.0
175.03995	5.9
177.02002	6.3
179.03505	6.5
179.05643	6.9
191.03778	5.0
191.05609	44.2
191.07162	4.4
203.07066	3.4
203.10757	15.5
205.01604	3.5
205.05075	7.3
217.04903	3.1
221.06552	3.9
221.11819	3.4
245.04431	3.1
245.08215	4.2
247.08307	4.2
255.02838	4.7
261.03989	17.8
283.02481	12.0
285.04028	21.6
289.07205	23.7
293.08817	4.5
323.09900	2.8
327.05078	4.9
331.08221	6.5
341.06799	3.4
397.09058	2.8
399.10916	4.1
401.18393	6.1
415.23007	6.1
451.10669	4.4
453.11987	5.6
575.11761	5.6
593.13538	16.4
593.24518	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	9.5
59.01385	55.5
71.01080	4.6
71.01390	44.9
73.02940	5.9
74.02455	6.6
74.18327	3.8
78.73008	4.3
83.01399	5.8
85.02956	9.6
89.02444	42.3
95.01408	5.4
97.02945	6.5
98.21786	10.2
99.00874	6.6
99.05643	5.5
101.02455	22.4
109.02944	11.8
111.00900	7.6
113.02448	9.4
114.50259	4.4
119.05038	4.8
121.02887	4.6
123.04528	12.4
125.02455	69.7
128.03571	11.8
131.03508	35.0
135.70282	4.6
137.02466	10.9
139.00366	8.9
139.04018	7.5
139.07660	29.6
141.00179	4.5
143.04625	12.5
143.63124	4.6
149.02426	7.5
149.04559	23.3
151.03966	7.6
153.01970	15.1
159.04498	4.6
161.02440	14.5
161.04538	5.9
163.04004	8.2
168.07945	22.6
177.02002	10.8
179.03455	7.5
183.01120	5.0
191.05612	25.9
191.10800	37.2
221.11871	14.9
231.82236	4.7
254.07869	8.2
255.02948	10.7
272.08856	36.0
284.03296	22.2
285.03818	7.4
287.05688	7.3
289.07242	10.3
293.08640	9.1
321.04376	20.7
371.17218	4.7
401.18298	5.2
441.08228	15.1
469.01083	5.0
503.21326	11.6
533.22406	100.0
534.22711	11.5
593.15320	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43129	1.6
55.01860	2.1
57.03443	3.1
58.00594	2.6
58.72810	1.6
59.01382	100.0
60.01702	1.5
61.98836	58.3
71.01388	65.4
71.32185	2.0
72.99305	6.7
73.02951	21.3
75.00870	3.5
81.03481	1.9
81.48775	1.6
83.01378	5.7
83.05031	1.5
85.02971	12.1
87.00874	3.4
89.02454	92.6
90.01031	1.7
93.03461	1.5
97.02954	2.6
99.00892	34.4
101.02454	31.3
109.02980	1.9
111.04493	1.8
113.02470	10.0
119.03506	3.9
123.04513	1.6
125.02472	9.0
127.03991	1.7
129.01898	2.8
131.03520	58.7
131.04492	3.5
132.03828	1.7
137.09782	2.3
147.11766	3.5
148.05104	1.6
149.04576	69.8
149.09712	3.9
151.00415	1.8
159.03152	1.4
159.04591	2.1
159.11852	2.2
161.02452	1.7
161.04593	6.7
165.25621	1.5
167.10788	39.9
168.11095	2.3
177.09367	1.8
177.12758	4.1
181.12430	1.6
189.05653	1.5
191.05623	41.9
191.10759	17.6
209.11850	15.7
210.12181	1.6
221.06783	2.2
221.11896	16.3
227.03444	9.8
229.05058	2.8
233.06685	6.2
239.12958	5.1
255.02991	16.4
284.03241	19.2
285.04083	31.0
293.08813	5.7
356.12662	2.9
371.14886	3.5
385.26215	1.6
401.25372	8.5
425.13049	3.0
521.33087	2.3
533.29236	5.8
547.27734	1.7
575.13867	5.2
593.14648	6.1
593.25494	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2643
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
58.40718	0.7
59.01398	4.3
61.98836	26.1
63.96246	0.9
70.65089	2.1
71.01395	6.7
72.99324	1.0
73.02946	2.0
78.91867	2.7
78.95919	1.0
78.98613	5.7
79.95745	35.8
80.91679	2.1
80.96524	48.0
81.03496	0.9
85.02965	3.9
87.00879	2.9
94.98089	12.1
96.96034	2.1
97.02962	3.5
101.02450	2.2
106.98074	2.7
122.97601	4.8
125.02435	2.9
134.97581	3.0
148.99158	4.5
152.98643	8.3
157.23305	0.8
158.51791	0.8
161.04451	1.1
164.98663	9.6
169.14322	0.7
182.99666	2.5
191.05641	2.9
206.99731	3.8
216.02037	1.0
224.12015	1.0
225.00760	19.7
241.00128	0.9
243.01851	1.6
255.03014	1.1
262.86121	0.8
273.48166	1.0
284.03299	1.3
293.21387	1.2
299.04422	3.7
371.06418	1.4
385.07999	1.0
399.09818	2.0
455.15973	2.0
495.19095	1.9
519.29077	1.3
551.23248	1.4
593.26392	100.0
594.26898	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57264	0.9
59.01369	1.6
60.84364	0.9
70.05306	0.9
70.91791	1.6
78.95909	65.3
96.96026	1.4
96.96966	12.0
96.99529	1.2
127.23312	1.2
138.09912	1.0
139.04047	1.6
150.98013	1.6
152.99599	100.0
171.00682	3.3
223.00124	10.0
241.01178	25.7
259.02274	1.3
277.21735	44.6
278.22098	3.1
315.04892	19.2
333.06024	1.7
369.47406	1.3
410.19519	1.0
416.72430	1.0
593.27350	79.6
594.27716	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19145	0.6
59.01364	0.8
61.98843	4.3
69.08531	1.5
69.08933	4.8
78.95911	70.7
89.25408	0.6
96.75578	0.6
96.96025	0.8
96.96973	13.5
106.34402	0.7
150.98007	0.9
152.99599	100.0
153.99931	0.7
171.00661	2.7
174.02354	0.6
207.40030	0.7
223.00146	11.3
241.01218	26.2
259.02301	2.1
277.21735	50.1
278.22134	3.3
315.04895	19.8
324.89008	0.6
333.06012	1.0
593.27368	76.7
594.27942	9.7
612.39539	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27745	4.0
69.05398	32.5
78.95907	96.3
96.96957	22.3
98.22589	5.2
152.99599	87.6
163.24586	4.3
179.27068	3.6
209.11813	13.5
214.46312	3.9
241.01183	42.6
267.68817	3.9
277.21777	72.6
278.22150	5.8
307.90155	4.5
315.04858	15.4
382.79138	4.1
413.20917	10.6
440.91446	3.8
593.27429	100.0
593.36505	3.5
594.27814	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.8
62.43512	0.5
67.29629	0.7
67.46980	0.5
69.13455	3.3
78.95909	58.8
81.34123	0.5
96.96973	11.5
98.22531	1.2
106.54281	0.5
143.61057	0.6
150.98010	0.8
152.99597	100.0
153.99942	1.2
171.00661	3.0
184.04506	0.6
221.42422	0.4
223.00134	9.6
241.01210	26.3
242.01524	0.5
258.46417	0.5
259.02228	2.2
277.21741	46.0
278.22012	3.8
315.04883	19.0
316.05319	0.9
333.05969	2.1
377.40857	0.5
552.00342	0.6
593.27344	71.1
594.27722	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14172	1.1
57.03448	2.3
57.15202	1.1
58.02976	4.0
59.01373	2.2
71.01379	1.9
71.29961	1.6
74.02479	8.6
81.03420	2.4
83.01399	2.5
84.05459	1.3
86.02470	4.2
87.05637	1.5
89.02437	1.2
93.03491	2.6
96.95990	1.3
97.02950	1.7
99.05646	7.7
102.05637	1.4
109.02940	2.8
110.91846	1.2
119.05061	5.8
121.03020	1.9
122.03697	1.4
123.04536	2.7
123.92995	1.2
125.02455	33.8
126.02768	1.9
128.03554	28.9
137.02480	6.9
137.07169	1.6
139.04048	2.8
141.00177	10.6
141.44640	1.1
141.45831	1.4
143.04637	39.1
145.02924	1.8
145.06161	2.0
146.04553	3.4
149.02499	7.0
150.32896	1.3
161.02460	8.1
164.01109	2.9
165.01945	4.5
167.03490	2.2
167.08131	2.1
175.03958	2.1
177.01929	5.3
178.02264	2.1
179.03323	2.1
179.04652	5.3
180.99716	1.3
183.01250	9.1
185.05750	2.4
187.03970	1.5
191.05580	3.5
193.01443	1.6
201.05621	2.0
209.04619	1.6
210.08894	8.9
211.63304	1.2
229.01413	2.6
243.06686	2.7
254.07816	14.6
272.08902	100.0
272.63977	1.2
273.09155	5.5
287.05609	1.6
289.07343	1.4
290.07504	2.9
306.07309	1.5
313.07101	5.0
314.89841	1.1
321.04404	46.8
322.04791	3.3
355.08228	11.3
367.08090	1.5
385.09250	9.5
385.67184	1.3
415.10370	2.1
456.10791	7.3
475.12219	5.8
505.13501	2.4
514.25897	1.5
535.24390	1.3
594.14166	9.0
595.16553	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45844	0.7
55.91660	0.6
57.03452	5.2
58.02980	1.4
59.01384	7.1
64.22337	0.7
67.59249	0.7
69.17067	3.8
69.17490	2.5
71.01372	1.2
74.02467	3.1
80.63185	0.7
81.03455	1.6
82.15599	0.8
83.01381	3.3
86.02456	0.9
93.03465	3.1
95.05020	1.4
97.02960	3.4
99.04569	3.6
99.05643	2.2
109.02966	2.8
111.04498	1.1
119.05029	3.4
121.02969	2.7
123.04485	2.1
125.00704	3.9
125.02461	24.7
126.02742	0.8
128.03555	8.7
128.30997	0.9
133.02997	1.0
135.04591	1.4
137.02457	24.6
139.04088	4.2
139.99368	1.6
141.00186	9.7
143.04634	11.6
143.07129	9.3
144.07477	2.9
145.02908	0.8
146.04585	1.4
149.02455	8.8
151.04018	1.8
153.00183	8.1
154.01016	1.2
155.01736	1.5
159.04459	1.5
161.02457	4.6
161.29944	0.8
163.03983	1.5
164.01143	2.5
165.00177	19.0
165.01875	2.7
167.02156	1.0
167.03523	11.3
173.04689	0.9
173.06084	1.0
177.01979	0.8
179.03368	3.7
179.04836	1.2
179.98882	2.3
180.03773	0.9
180.99664	11.7
183.01233	16.2
187.06133	3.3
191.05605	3.1
193.01526	0.9
193.03210	2.1
195.01222	1.7
201.05621	1.4
203.03471	1.1
210.08870	2.8
215.07089	1.2
219.01152	1.6
235.04350	2.6
240.10403	1.0
243.06641	1.4
253.05408	0.8
254.07854	4.5
269.04465	1.3
272.08911	29.8
272.11868	1.7
273.09311	1.5
277.05396	2.5
279.03363	0.8
287.05630	1.0
303.03302	4.2
306.07687	1.0
313.07321	1.3
321.04410	100.0
322.04749	6.9
355.08325	9.1
359.51498	0.8
385.09274	6.2
404.55801	0.8
415.10291	1.8
456.10703	0.9
457.11078	1.5
475.12408	3.7
526.37024	0.8
590.07648	0.7
594.13885	1.3
595.16913	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82711	0.2
59.01375	1.4
61.98837	100.0
63.99279	0.3
69.49588	0.2
71.01405	1.0
73.02930	0.2
76.02093	0.2
77.34417	0.2
78.95914	1.1
79.64524	0.2
83.01418	0.2
85.02988	0.6
87.00879	0.4
88.98827	0.3
89.02468	0.8
98.21738	0.5
101.02493	0.4
125.02506	0.3
131.03558	0.3
133.02983	0.3
135.04524	0.3
137.02519	0.3
152.99620	0.2
171.00639	0.2
173.04590	0.2
182.64612	0.2
191.05725	0.7
229.50963	0.3
285.03964	0.3
286.04715	0.3
327.16168	0.3
372.10938	0.5
576.15112	0.3
594.29913	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38767	0.1
59.01387	0.1
61.98833	100.0
62.98538	0.1
68.99437	0.3
68.99841	0.6
70.34924	0.1
90.03806	0.1
95.55775	0.1
105.68432	0.1
115.43777	0.1
116.17135	0.1
116.25563	0.1
157.45309	0.1
197.68401	0.1
210.57143	0.1
296.67456	0.1
325.44489	0.1
326.36859	0.1
349.08102	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32547	0.3
59.01410	0.3
61.98834	100.0
69.42242	1.0
69.42644	0.6
78.57058	0.2
78.95901	2.5
90.93417	0.3
95.99925	0.3
96.96995	1.2
103.92062	1.1
114.93467	0.5
145.93858	0.3
152.99593	3.0
153.34413	0.3
153.99974	0.4
197.20410	0.3
241.01308	0.4
277.21680	0.7
278.22168	0.9
411.14337	0.3
453.30493	0.8
536.18231	0.5
594.27722	3.1
595.28632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
57.03460	0.4
59.01382	2.9
60.01726	0.3
60.89310	0.3
61.98833	100.0
65.00318	0.6
70.01202	0.3
71.01392	2.1
71.31873	0.5
72.01732	0.4
73.02958	1.0
83.01400	0.5
84.90897	0.3
85.02975	1.2
87.00900	0.4
89.02440	1.5
93.03510	0.5
99.00911	0.4
101.02457	1.8
107.01414	0.6
113.02471	0.5
118.10756	0.3
119.98139	0.3
123.04536	0.3
125.02444	2.7
131.03566	0.8
134.85477	0.3
151.00407	1.0
152.01183	1.0
158.22670	0.3
161.02472	0.5
161.04556	0.6
163.04996	0.4
165.01913	0.3
178.99908	0.9
191.05664	0.3
201.05609	0.5
206.91408	0.3
213.46310	0.3
215.07196	0.4
227.03603	1.2
228.03891	0.9
229.05074	0.7
243.06696	0.4
255.02972	1.8
256.03458	1.3
257.04654	0.4
259.06143	4.9
269.04599	3.0
271.02588	0.5
284.03308	1.7
285.03940	6.0
285.06931	0.4
286.04449	5.4
287.05621	5.9
387.27676	0.5
400.24506	0.6
401.24612	0.5
402.24991	0.9
415.27161	0.8
417.25372	0.5
431.95850	0.3
433.28189	1.6
498.00137	0.3
533.28674	0.3
534.29297	1.3
549.29236	0.4
556.26904	2.5
558.28674	0.3
576.14233	1.6
594.15771	0.7
595.33826	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70299	0.2
57.25702	0.1
58.51370	0.2
59.01384	4.1
60.01719	0.4
61.98836	100.0
67.95004	0.1
71.01393	1.1
75.00842	0.1
85.02995	0.2
89.02480	0.6
98.22630	0.3
101.01873	0.2
101.02445	0.8
101.24676	0.2
113.02477	0.3
133.02930	0.2
137.02475	0.5
161.04636	0.2
185.68781	0.2
209.11919	0.2
246.55408	0.2
255.03122	0.2
301.40054	0.2
401.24863	0.2
402.25531	0.3
509.46262	0.2
534.30151	1.8
594.34198	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98922	0.2
59.01387	1.5
61.98836	100.0
62.98544	0.3
62.99295	0.2
63.99269	0.4
65.82764	0.2
69.53880	0.2
71.01387	1.1
71.32159	0.2
78.95915	0.3
80.91749	0.2
85.02979	0.5
87.00904	0.4
87.35996	0.2
89.02472	0.8
90.02818	0.2
97.44740	0.2
101.02479	0.5
109.03033	0.2
113.02498	0.4
123.61843	0.2
125.02504	0.4
126.67953	0.2
127.68963	0.2
128.27711	0.2
131.03510	0.3
137.02530	0.2
173.04588	0.3
191.05713	0.4
211.28477	0.2
255.03009	0.2
285.03842	0.2
298.61734	0.2
312.40567	0.2
401.26224	0.3
402.26178	0.8
534.30579	0.3
548.32184	0.2
594.15369	0.3
594.31030	0.3
595.13696	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98922	0.2
59.01387	1.5
61.98836	100.0
62.98544	0.3
62.99295	0.2
63.99269	0.4
65.82764	0.2
69.53880	0.2
71.01387	1.1
71.32159	0.2
78.95915	0.3
80.91749	0.2
85.02979	0.5
87.00904	0.4
87.35996	0.2
89.02472	0.8
90.02818	0.2
97.44740	0.2
101.02479	0.5
109.03033	0.2
113.02498	0.4
123.61843	0.2
125.02504	0.4
126.67953	0.2
127.68963	0.2
128.27711	0.2
131.03510	0.3
137.02530	0.2
173.04588	0.3
191.05713	0.4
211.28477	0.2
255.03009	0.2
285.03842	0.2
298.61734	0.2
312.40567	0.2
401.26224	0.3
402.26178	0.8
534.30579	0.3
548.32184	0.2
594.15369	0.3
594.31030	0.3
595.13696	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
59.01098	0.9
59.01384	17.7
61.98516	0.9
61.98838	16.9
69.12521	5.1
71.01376	1.0
77.89326	0.6
78.95910	7.7
79.95741	1.8
80.96523	4.2
82.95419	1.3
85.02958	0.8
87.00870	0.7
93.03453	0.6
94.98093	1.3
96.04391	0.7
98.22533	1.3
113.09711	1.7
130.84383	0.7
140.71944	0.6
152.99637	3.0
156.24104	0.6
163.85109	0.6
168.04312	2.3
179.14369	1.4
191.05643	1.8
195.12282	1.1
195.13914	14.4
209.11777	2.3
224.07021	1.2
225.11182	0.8
242.08064	4.3
271.16901	0.6
277.21744	15.6
278.22144	1.1
283.13303	0.8
295.22791	100.0
296.23123	7.2
394.22775	0.7
449.23071	1.2
520.30475	64.3
521.30731	6.8
594.26611	6.7
595.26105	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56504	0.6
69.02967	4.3
69.96366	0.5
98.21822	1.4
107.01397	1.1
108.02175	0.9
135.00938	0.6
136.01575	0.6
138.29404	0.6
148.01711	1.4
151.00385	4.4
156.44337	0.6
163.00424	0.7
164.01253	0.7
174.73395	0.6
178.99860	2.8
181.10107	0.5
199.03922	0.8
211.04100	0.6
226.02704	1.2
227.03445	1.9
243.03018	8.3
244.03323	0.5
254.02243	1.4
255.03003	24.4
256.03357	1.5
271.02505	52.7
272.02957	3.5
299.02011	2.1
300.02777	100.0
301.03287	11.8
444.85333	0.7
463.09033	0.8
595.13092	56.2
596.13196	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.6
63.02398	1.0
65.00330	2.4
69.22313	3.6
69.22681	0.6
70.97804	0.5
71.01404	1.4
79.12749	0.5
83.01393	1.2
87.00894	0.8
89.02496	0.6
107.01411	3.9
107.02050	0.5
108.02225	1.5
117.03482	2.0
121.03010	0.8
124.01718	1.6
125.02515	0.7
135.00893	0.8
148.01691	1.9
151.00383	10.8
152.01189	2.8
153.93558	0.5
159.04532	0.7
161.43047	0.5
163.00462	0.5
163.03854	0.5
165.66623	0.6
178.99870	6.0
181.06589	0.6
191.05583	0.7
197.06056	0.7
199.04048	1.4
211.04086	0.7
225.05611	1.3
226.02756	1.4
227.03406	2.3
243.02986	9.3
244.03645	1.1
245.04604	0.7
254.02214	2.1
255.02997	23.1
255.05698	1.2
256.03329	1.1
269.04572	52.7
270.01324	0.5
270.04849	2.9
271.02499	54.6
272.02921	3.2
273.04111	0.6
280.69751	0.6
299.02017	2.6
300.02771	100.0
301.03384	12.7
355.12012	0.5
445.07599	0.7
595.12982	60.4
596.13385	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.8
57.78492	1.4
58.35444	1.4
59.01381	20.7
61.98840	8.6
67.88530	1.5
71.01028	2.3
71.01385	21.8
71.30396	1.7
72.99284	2.5
73.02940	5.2
75.00864	1.7
79.01893	2.1
81.03449	3.0
83.01393	6.9
85.02963	8.3
87.00864	1.7
88.98796	1.8
89.02450	16.2
89.03954	1.6
92.56689	1.4
93.03452	8.5
95.01403	2.9
97.02956	4.3
99.00887	4.7
99.04491	1.6
101.02437	14.9
107.01422	8.7
109.02953	3.5
111.04559	2.4
113.02465	9.0
117.03481	2.6
119.03593	1.9
119.05040	43.7
121.02974	5.1
123.04504	4.3
124.49183	1.6
125.02460	15.7
131.03514	14.2
135.04544	2.7
137.02435	8.2
139.04004	6.4
143.05046	6.6
145.02992	7.1
147.04500	4.0
149.02441	6.1
149.04550	8.0
151.00421	5.6
151.04018	2.8
161.04550	5.4
161.06082	3.4
163.00356	3.9
163.04016	3.5
165.01949	6.1
165.05559	2.7
167.03456	10.9
173.04619	1.6
177.01950	6.8
179.03499	3.6
187.03984	10.1
189.05623	1.8
191.03548	4.4
191.05646	9.6
192.04321	2.0
193.01418	9.2
197.04546	2.1
199.03975	2.4
205.01408	8.5
205.05031	2.2
207.02994	6.3
209.04607	5.7
217.04996	1.8
219.03029	4.1
223.02560	3.6
225.56270	1.6
227.07085	4.0
235.02498	15.7
239.05481	2.0
261.04230	3.5
265.03583	5.5
269.04581	4.0
271.02585	2.4
271.06149	4.5
271.49246	1.6
281.08429	2.3
283.06210	3.1
299.02185	3.3
301.03470	2.1
307.27661	1.7
313.07181	17.5
325.07153	8.0
343.08340	8.5
355.08246	100.0
356.08673	5.5
362.76190	1.7
367.08368	3.9
385.09302	74.2
386.09756	4.6
397.09207	4.3
403.19580	3.3
415.10367	24.6
416.10712	2.0
417.24988	16.2
427.10129	2.8
433.11560	1.9
450.75064	1.9
457.11267	7.5
475.12524	40.5
476.12982	4.3
487.12698	6.3
505.13474	10.2
535.23810	8.5
549.29315	14.7
577.15784	4.9
595.16791	91.5
596.17255	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58128	0.5
57.03436	1.0
59.01370	1.8
63.02374	1.5
65.00326	21.2
69.20983	1.3
69.21408	1.6
71.01378	1.2
73.02943	1.2
81.03495	0.5
83.01397	7.7
85.02950	0.9
87.00874	1.6
87.04494	0.5
89.02424	0.7
95.01378	1.3
101.02405	0.6
103.03970	0.5
107.01398	22.8
109.02942	1.0
111.00843	0.6
115.04040	0.5
119.03569	0.5
121.02970	1.0
122.03753	0.6
123.00845	0.7
123.04523	1.1
124.01670	2.4
124.85699	0.5
125.02477	6.6
131.03484	1.3
133.02977	4.5
135.04538	4.3
137.82040	0.5
143.03528	1.1
147.04610	0.9
149.02441	2.0
150.03233	23.8
151.00377	100.0
151.03850	2.5
152.01170	11.6
157.06601	0.7
159.04558	0.6
165.70851	0.5
169.01448	1.5
171.04463	0.7
174.03207	0.5
175.03992	2.2
176.01212	1.4
177.01941	0.8
178.99876	15.3
180.00369	0.5
185.06085	1.0
187.04024	0.5
189.05588	0.9
198.03189	0.8
199.03992	3.6
201.01990	0.6
205.05020	1.3
205.07133	1.2
211.04103	0.6
213.05511	1.2
214.02629	0.5
215.03503	1.4
217.05110	1.0
229.05005	1.4
239.03493	1.0
240.04321	0.7
241.05089	2.1
256.03748	0.5
257.04678	2.2
259.06128	1.3
267.02997	1.0
269.04608	1.7
284.03284	0.6
285.04062	81.2
286.04391	6.7
287.05444	0.7
302.04443	2.6
316.02225	0.6
443.15753	4.4
469.13580	2.6
595.16687	24.7
596.16602	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16058	0.2
57.03434	0.3
58.00564	0.5
59.01384	6.1
59.01817	0.3
61.98837	1.5
63.02385	0.9
65.00038	0.2
65.00328	3.3
70.36726	0.5
70.37119	0.5
71.01044	0.2
71.01392	4.0
72.99292	0.7
73.02956	1.5
75.00868	0.3
77.51016	0.2
81.03436	0.3
83.01400	1.7
85.02938	1.7
87.00876	1.7
87.04510	0.4
89.02449	2.6
91.01872	0.2
93.03452	0.4
95.01366	0.3
96.96034	0.3
99.04446	0.2
100.03176	0.2
101.02440	2.1
103.03970	0.3
107.01403	4.4
109.02971	0.3
111.00946	0.2
113.02421	0.9
115.03999	0.4
117.03473	3.1
119.03505	0.5
119.05032	0.3
121.02949	1.3
123.00870	0.4
124.01654	1.0
125.02475	2.5
131.03494	1.7
132.52136	0.2
133.02905	0.5
134.03743	0.3
135.00929	0.3
135.04507	0.7
137.02454	0.3
139.00430	0.2
143.03494	0.6
145.02905	0.3
145.05016	0.3
149.02425	0.9
149.04552	1.0
151.00380	8.9
152.01152	3.4
155.05037	0.3
159.04468	0.7
161.02391	0.4
161.04546	0.7
163.06094	0.7
165.56508	0.2
168.98438	0.2
169.06592	1.1
169.99899	0.2
173.04643	0.2
173.06039	0.5
177.05554	0.3
178.99852	2.6
180.05861	0.6
181.06554	0.9
182.03726	0.4
183.04510	0.6
184.03185	0.2
191.05603	0.8
196.05287	0.5
197.06053	1.4
199.04005	0.3
201.05536	0.6
204.25224	0.3
205.07126	1.2
209.04553	0.9
224.04802	0.5
225.05574	2.9
227.03554	0.5
242.05682	0.3
259.06140	1.1
269.04556	100.0
270.04892	6.2
287.05502	0.4
313.07153	0.3
382.06284	0.2
417.25125	0.7
457.92435	0.2
535.27356	0.8
549.28925	0.4
595.16760	9.5
595.25635	0.4
596.17297	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81884	0.4
57.03442	1.0
58.56929	0.4
59.01132	0.4
59.01382	4.0
63.02396	1.0
65.00327	4.0
65.22136	0.4
69.02749	1.8
69.03168	1.2
71.01388	2.2
73.02931	1.0
83.01382	2.1
84.03493	0.3
85.02937	1.2
87.00874	1.3
89.02455	0.9
93.03493	0.4
95.01382	0.8
96.96028	0.5
97.02916	0.4
99.04543	0.4
101.02461	1.9
104.67868	0.4
107.01406	4.9
108.02161	0.5
109.02966	1.2
111.00905	0.5
113.02429	0.6
116.92846	0.5
117.03460	4.3
119.03533	0.5
119.05029	2.0
121.02937	1.1
123.00900	1.0
123.04547	1.1
124.01683	2.2
125.02454	5.1
131.03511	0.6
134.03734	0.6
135.04552	1.2
137.02449	1.0
143.03537	0.7
145.02931	1.2
149.02443	1.4
151.00372	12.5
151.03976	1.1
152.01166	7.1
159.04544	1.1
161.02455	1.2
161.04588	0.8
161.06000	0.8
163.03961	1.2
163.06145	0.6
167.03513	0.8
167.79321	0.4
169.06612	1.0
173.06049	0.6
177.05681	0.5
178.99873	5.4
180.05780	0.5
181.06590	0.7
183.04398	0.4
193.05040	0.6
195.06606	1.8
196.05278	0.7
196.07022	0.8
197.06041	1.9
199.04031	0.7
201.05585	0.8
205.05130	1.0
205.07039	0.6
209.04564	0.5
224.04784	0.4
225.05539	4.1
227.03441	0.6
241.05104	0.5
243.06720	0.5
245.08192	0.4
259.06125	1.0
265.07217	0.9
269.04553	100.0
270.04889	5.4
271.06046	0.7
287.05713	0.7
289.07190	1.7
300.02823	0.8
304.93958	0.5
313.07123	0.9
323.96533	0.4
345.13223	0.4
355.08142	1.0
385.09207	0.5
389.12610	0.5
390.12277	0.5
396.72742	0.5
451.12823	0.8
475.12457	0.6
595.16760	11.4
596.16742	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13609	0.4
57.03438	1.2
59.01386	3.5
61.16542	0.4
63.02380	1.1
65.00321	3.8
68.99822	1.0
69.38376	1.1
69.38805	2.1
69.46022	0.4
71.01372	1.8
72.99303	0.5
73.02931	1.3
83.01403	2.0
83.21032	0.4
85.02969	2.0
87.00883	1.6
87.04490	0.4
89.02469	0.8
89.46949	0.4
93.03483	0.9
97.02890	0.4
99.00863	0.5
99.04445	0.4
101.02446	1.6
106.91804	0.4
107.01398	4.6
109.02956	0.5
111.41198	0.4
113.02530	0.6
115.03988	0.6
117.03460	3.6
121.02962	1.1
124.01678	1.4
125.02456	8.2
131.03560	0.7
133.03006	0.6
135.04543	0.7
137.02435	0.5
139.00327	0.5
143.03511	3.5
145.04997	0.4
145.06677	0.4
149.02449	1.0
150.99202	0.6
151.00383	10.5
152.01180	6.0
159.04471	0.7
165.01932	3.2
169.06618	0.9
172.05368	0.6
173.06078	1.3
175.04134	0.6
177.05556	1.0
178.99892	5.0
188.96265	0.4
196.05309	0.5
197.06110	1.6
199.03880	0.6
201.05556	0.6
215.07117	1.1
224.04842	0.5
225.05667	3.0
227.03540	0.8
228.04053	0.4
241.05139	0.7
243.06590	1.3
255.03117	0.5
259.06116	14.0
260.06485	0.7
269.04559	100.0
269.32361	0.4
270.04892	5.6
271.02615	1.0
285.04071	1.2
286.04578	0.5
287.02228	1.3
287.05591	14.8
288.05914	0.9
300.02756	0.7
315.01413	2.3
316.02271	2.2
331.04776	0.8
377.45792	0.4
433.24719	0.4
577.15680	11.2
578.15680	1.0
595.13458	3.1
595.33087	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.2
57.30399	0.8
58.94168	0.8
59.01368	1.0
61.98824	2.7
65.50463	0.8
69.02273	6.0
73.02943	1.8
95.04957	0.9
97.02942	1.9
97.79110	0.8
98.22018	4.3
109.06600	1.3
123.08180	1.0
130.15019	0.9
137.06039	0.8
151.45171	0.9
163.11308	1.2
215.10574	1.0
273.11292	1.6
317.13974	2.3
333.18579	1.9
347.14993	1.8
351.19662	2.9
359.16788	1.7
365.06784	1.1
417.20862	1.3
421.16388	1.4
439.17691	1.8
457.18698	2.1
479.20691	2.5
497.21887	11.1
498.21844	1.3
515.22986	1.7
559.21808	24.2
560.22229	3.9
595.19531	100.0
596.19830	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40280	4.9
59.01377	13.2
61.98838	100.0
71.28729	6.1
74.15015	4.5
74.42421	4.9
97.03004	6.0
109.06603	5.4
119.38084	4.3
121.06624	4.8
137.06097	5.6
137.94147	4.5
163.07657	5.7
165.05658	5.0
182.63329	4.0
201.09039	4.0
219.10425	5.7
222.72115	4.8
284.99200	4.9
291.08347	4.2
300.02902	5.7
323.25281	4.0
471.68411	4.6
541.21021	7.6
559.21851	31.2
595.19537	77.7
610.64703	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	6.5
58.00579	4.7
59.01380	88.3
61.44047	3.9
61.98821	11.4
67.01884	20.2
71.01385	57.0
72.99316	76.2
73.02939	5.7
81.54564	3.9
83.61866	4.2
85.02954	20.6
87.00851	6.1
88.83820	3.6
89.02452	62.8
90.38400	3.9
95.05027	4.3
97.02922	6.3
101.02431	28.1
106.44065	3.7
107.01414	6.7
109.06584	21.6
113.02449	23.9
116.92885	8.6
119.03506	25.0
120.62008	4.5
121.06647	6.7
123.04559	6.5
125.02457	18.2
125.06091	12.6
131.03479	6.6
137.02434	6.4
137.06096	9.7
139.07654	11.3
141.22168	4.3
143.03548	7.6
147.08154	5.0
151.00349	22.0
151.07652	8.1
152.01099	7.5
161.04564	3.7
165.01894	4.0
166.02728	12.6
169.05035	13.8
177.09206	14.7
178.99838	10.6
179.05630	9.2
179.10759	7.1
181.05142	13.2
187.06059	11.2
191.10814	8.0
197.09650	5.0
207.10300	4.4
211.06073	5.4
242.24620	4.5
257.11807	4.8
259.06122	16.5
269.04568	100.0
271.02570	5.2
275.12979	4.6
285.03766	7.1
287.05515	20.0
294.05341	6.7
295.06274	5.1
300.02689	8.2
301.03387	7.8
308.06885	4.9
309.07559	11.8
310.08365	5.3
324.09885	9.9
325.07037	7.4
325.10611	6.2
340.09512	9.7
355.11865	20.4
385.12909	8.5
407.17233	9.6
415.14017	72.5
423.21329	5.7
467.20853	6.8
479.20560	7.1
497.21402	6.3
503.22937	20.4
515.22961	13.3
559.21710	9.4
577.15112	5.6
577.23096	75.9
578.23535	5.9
595.24103	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76452	5.0
59.01377	67.4
61.98839	5.7
65.15211	4.6
68.99755	41.3
69.00155	8.8
71.01387	37.7
72.99306	13.5
85.02963	8.2
86.43226	5.8
87.00871	5.8
89.02455	47.2
90.62493	5.0
95.73590	6.1
101.02453	20.3
106.61386	5.3
107.01376	9.6
113.02459	12.5
119.03529	16.4
125.02457	19.4
128.37109	5.3
151.00374	22.1
151.04024	6.7
151.97746	6.3
152.01022	7.1
158.03828	5.7
161.36217	5.8
166.02669	9.4
179.05620	11.8
181.05070	19.9
190.06241	9.3
203.03448	7.2
233.08138	8.8
251.31812	5.0
259.06137	19.0
269.04578	100.0
270.05042	8.8
273.63626	6.3
282.55075	6.6
287.05594	16.0
355.12000	15.4
385.12735	27.1
415.14145	9.2
577.15692	16.4
595.20282	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92593	0.4
56.70926	0.4
78.95459	0.5
78.95908	9.2
80.91692	1.1
96.96955	1.7
99.04530	100.0
100.04863	2.5
108.84010	0.4
129.31668	0.5
152.64847	0.5
152.99605	14.3
223.00160	1.0
241.01286	3.5
273.76157	0.6
279.23318	9.8
305.04733	0.6
315.04977	1.6
363.08942	0.8
365.06650	0.7
413.12338	1.4
480.14392	0.7
495.16641	2.0
595.21729	1.4
595.29327	11.1
596.29645	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01133	0.3
59.01384	100.0
60.01726	0.6
61.98836	4.5
63.29433	0.2
64.27799	0.3
69.04241	1.2
69.04667	1.1
81.11188	0.2
87.00902	0.3
125.02473	0.5
151.00465	0.6
259.06290	0.8
269.04568	2.4
287.05734	0.7
300.02609	0.3
329.10419	0.7
341.10620	0.6
344.12909	0.8
359.14938	2.0
371.14938	1.9
380.62650	0.3
469.05203	0.3
577.15912	0.4
577.24005	0.3
595.24207	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01726	0.7
61.98835	4.2
69.18140	1.5
71.01391	0.3
71.89915	0.2
72.99311	0.3
80.63367	0.2
89.02435	0.6
94.42473	0.2
104.02578	0.2
119.26775	0.3
120.28640	0.2
123.11210	0.3
125.02474	0.6
145.02959	0.3
151.00453	0.6
165.01958	0.3
174.24590	0.3
175.04099	0.3
189.46648	0.2
255.02997	0.4
259.06216	0.7
260.94897	0.2
269.04590	3.3
279.81271	0.3
285.04120	0.6
287.05704	0.8
300.02844	0.3
301.03537	0.3
307.02271	0.3
329.10471	0.5
341.10495	1.0
344.12769	0.8
356.12949	0.3
359.14960	2.4
371.14948	1.2
469.06097	0.3
541.21698	0.3
559.22443	0.2
560.23120	0.3
577.15540	0.5
595.23798	0.3
612.95581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.6
57.03445	3.0
58.00588	1.6
59.01384	32.1
59.47411	1.0
63.02406	1.2
65.00332	3.6
66.59439	0.9
69.01066	1.7
69.01464	9.0
69.03456	2.1
71.01389	53.9
72.99317	9.2
73.02951	17.6
81.03458	1.1
83.01397	7.2
85.02959	22.6
87.00877	3.6
89.02454	22.2
95.01409	3.5
97.02972	2.9
98.21674	1.6
99.00897	17.8
101.02451	33.6
105.06561	1.0
107.01426	2.5
111.00883	1.9
113.02464	19.9
119.03510	2.9
121.02983	3.0
123.04521	2.0
125.02454	7.8
129.01921	1.0
131.03511	9.3
135.03377	1.1
143.03543	3.3
143.05052	4.9
145.02942	1.9
148.01663	1.6
149.04558	4.1
149.40761	1.0
151.00383	13.4
151.04010	4.0
152.00777	3.6
153.00938	1.3
159.03020	5.3
159.04404	1.2
159.08148	1.5
161.02487	1.2
161.04575	17.8
163.04068	2.2
173.04515	1.2
178.99876	3.7
182.07378	1.4
183.08182	3.2
185.06091	9.3
191.04166	0.9
191.05585	5.2
193.64085	1.1
199.03979	1.0
205.03552	1.2
225.05565	1.8
226.02719	1.1
227.07153	60.9
228.07419	4.7
243.03036	5.7
250.68394	0.9
252.04648	1.0
253.05113	5.3
255.02966	10.7
269.04639	8.1
271.02512	27.2
271.05817	2.1
272.02930	3.3
285.04034	6.4
286.04474	5.8
287.01855	1.2
287.04648	4.9
299.02225	1.7
300.02774	42.2
301.03415	9.9
316.02209	3.5
331.17645	24.3
332.18140	1.8
373.12897	2.9
433.14725	1.4
463.21896	39.6
464.22189	3.0
521.20520	1.4
549.28967	1.4
595.15405	38.8
595.26135	100.0
596.15399	5.8
596.26526	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37769	1.3
55.01884	3.2
58.00583	5.0
59.01386	70.0
61.98838	50.5
63.99244	1.4
68.16650	1.5
69.03448	2.1
71.01392	54.4
71.32388	2.1
72.99294	4.8
73.02944	16.2
75.00865	5.3
81.45167	1.4
83.01382	3.8
85.02960	11.8
87.00883	5.5
89.02455	84.4
93.03442	4.2
97.02918	2.6
99.00899	26.3
99.04537	1.6
101.02459	30.5
109.02994	1.5
113.02461	8.1
125.02484	10.8
129.01953	3.1
131.03514	54.6
137.02460	1.6
149.04573	47.2
150.04828	2.0
151.00385	1.9
151.04053	1.7
161.04536	1.5
169.12357	100.0
170.12677	4.6
173.04567	5.8
173.06021	1.5
183.13976	9.0
191.05632	37.1
192.05803	1.6
193.12332	4.1
209.11813	2.4
211.13405	48.2
223.13435	7.6
233.06596	3.2
241.14500	25.5
253.14401	4.5
269.04587	5.7
271.02368	3.4
283.13550	1.5
293.08838	2.8
300.02625	3.6
300.66306	1.4
385.27509	1.4
456.67957	1.5
595.12836	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96914	0.4
55.89829	0.4
59.01381	100.0
60.01709	0.9
61.98837	5.6
69.01671	2.1
69.02097	2.4
71.01392	0.8
75.00880	0.8
78.32218	0.4
82.95409	1.8
89.02453	2.9
97.31599	0.4
101.02459	0.5
103.01501	75.6
203.33670	0.4
325.06714	0.5
383.11502	2.0
417.21710	0.6
505.14694	0.6
557.47150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45007	0.5
67.37314	0.6
69.93451	1.8
69.93808	0.8
78.95911	73.5
80.91667	0.7
96.96973	12.3
96.97552	1.1
99.04536	0.8
135.02325	0.6
137.68440	0.6
150.98059	1.2
152.99605	100.0
153.99982	1.2
171.00732	3.3
223.00157	10.3
241.01193	26.9
259.02252	2.1
279.23315	68.2
280.23672	5.1
315.04877	16.6
321.40738	0.7
333.05963	1.3
595.28912	87.9
596.29413	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2892
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
52.12812	0.8
54.33105	0.8
59.83603	0.7
69.02208	7.1
69.02628	2.7
78.95914	58.0
93.26746	0.8
96.96967	8.7
99.04552	0.8
111.81689	1.0
134.93626	0.8
141.75121	0.9
150.97995	1.3
152.99605	96.3
154.00044	0.9
165.27451	0.9
171.00693	2.6
223.00111	9.8
241.01201	26.7
278.77786	0.8
279.23315	57.6
280.23590	3.5
315.04861	18.6
316.05338	1.3
326.13254	0.7
333.05740	1.5
336.89627	0.9
430.47827	0.9
533.30231	1.0
595.28925	100.0
596.29315	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92833	0.8
53.46120	0.7
54.93067	0.7
56.92458	0.8
59.01381	1.2
75.00878	2.8
78.95910	66.1
96.96394	0.6
96.96968	15.3
99.04530	62.4
100.04857	1.3
102.24387	0.7
109.82246	0.7
117.01968	1.0
122.36198	0.7
150.98087	1.1
152.99602	100.0
164.96617	0.7
171.00653	3.1
223.00121	11.0
223.84483	0.7
229.54356	0.8
241.01196	26.6
259.02148	1.9
267.99551	0.8
279.23315	69.8
280.23730	3.9
280.68103	0.7
315.04886	15.8
333.05945	1.2
385.38376	0.8
397.09335	2.4
436.34860	0.9
495.16568	0.9
595.28925	84.6
596.29144	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
63.99260	0.5
68.98799	0.6
68.99199	2.4
81.21726	0.3
99.04889	0.3
108.37422	0.3
117.80227	0.4
326.69586	0.3
363.33371	0.3
474.09985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	11.8
60.33961	5.3
61.98835	100.0
82.96043	7.0
98.21724	11.0
115.24622	5.5
300.07028	5.7
553.28107	13.9
596.26892	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.9
61.98834	100.0
63.99249	1.1
69.45163	3.8
71.01391	2.6
88.98827	0.7
89.02456	1.0
91.92562	0.5
94.12408	0.6
96.96017	0.7
98.21792	0.6
100.88654	0.6
101.02477	1.3
113.02525	0.8
119.59738	0.6
125.02495	1.2
137.02483	0.6
151.04042	0.7
152.95267	0.7
161.04628	0.8
220.21245	0.7
284.95676	0.5
569.85645	0.6
597.25311	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3209
Annotation	1-Epicrassicaudine
Peak:m/z	Relative Intensity
59.01384	1.9
61.41012	0.8
61.98834	100.0
69.00598	7.5
84.55603	0.8
99.04572	0.9
102.82902	0.8
143.99072	0.9
185.96765	1.0
186.86549	1.2
196.41899	0.9
197.28853	0.8
256.42398	0.9
297.71649	0.9
451.32181	3.5
452.32571	1.4
454.45056	1.0
471.16003	1.2
511.34229	2.0
512.34888	2.3
536.30328	2.4
538.66534	1.1
596.32050	37.1
597.32202	5.5
624.38867	1.1
624.66962	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87727	0.2
55.33274	0.2
58.15460	0.2
59.01384	0.6
61.98835	100.0
65.20251	0.1
66.94788	0.2
69.96548	0.6
69.96900	0.2
71.01378	0.4
72.59630	0.2
75.00890	0.2
82.95432	0.8
84.95131	0.8
85.00447	1.2
87.00895	0.6
87.04524	0.2
89.02420	0.2
98.22151	0.4
101.02460	0.2
124.01623	0.2
136.05370	0.2
149.02461	0.2
151.04137	0.2
164.04803	0.2
191.05574	0.3
229.59909	0.2
317.53571	0.2
321.13300	0.2
430.49527	0.2
434.30292	0.4
438.72787	0.2
458.19177	0.3
533.27679	0.2
558.21320	0.4
559.21918	0.5
560.22339	0.8
596.35248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50960	0.8
57.03450	10.8
59.01376	5.4
69.03453	2.0
70.91370	1.4
71.01381	2.3
72.99358	1.0
73.02941	2.7
81.03434	2.0
83.01392	11.5
85.02972	1.1
89.02471	1.9
93.03461	2.5
101.02457	4.1
103.04030	1.0
109.02961	9.5
115.04036	1.0
119.03521	1.0
121.02955	2.3
123.04545	9.9
125.02458	66.9
126.02824	1.6
131.03549	0.9
135.04533	0.8
137.02460	100.0
138.02832	2.8
141.44814	0.9
143.03482	1.3
145.02977	9.5
146.03696	1.2
149.02475	6.1
150.03253	4.3
151.04022	21.2
159.04524	2.3
161.06094	2.1
163.04005	1.3
163.06145	6.8
165.02000	1.5
165.31163	0.9
166.02687	0.8
167.03503	1.3
179.03526	1.2
185.06062	1.5
187.03961	1.3
201.05545	0.9
203.07166	2.0
205.07210	2.1
227.07164	1.7
241.62041	1.0
245.08231	1.5
253.05167	1.2
269.81024	0.8
271.06140	19.8
272.06577	1.1
285.04230	2.1
289.07275	4.6
315.08679	1.5
315.58243	0.8
459.15030	7.9
475.14508	1.7
597.18390	24.1
598.18567	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	9.9
58.13129	0.7
59.01391	6.5
69.03438	2.2
70.44676	0.6
71.01384	4.5
72.99258	0.7
73.02944	2.8
80.28555	0.7
81.03462	2.3
83.01390	9.7
85.02959	1.1
87.00861	1.3
89.02451	2.8
93.03463	3.8
97.02988	1.1
98.21702	1.5
101.02441	5.3
103.04018	1.6
109.02964	11.3
115.04038	0.9
119.03558	1.1
121.02972	1.6
122.03721	1.6
123.04538	12.7
125.02460	69.6
126.02804	1.9
131.03514	2.0
133.03018	0.8
135.04507	1.6
137.02458	100.0
138.02707	1.6
139.04013	1.2
143.03503	0.9
145.02977	10.9
145.04933	1.0
146.03770	1.1
149.02443	9.4
150.03261	4.4
151.04030	22.4
159.04564	2.2
161.02478	1.3
161.06087	3.2
163.06129	7.6
164.01151	1.8
165.01965	1.9
165.05632	1.2
166.02704	4.7
166.30121	0.7
167.03473	3.6
175.03998	2.4
176.01186	1.1
177.02054	1.6
179.03520	1.0
185.06081	2.2
187.04005	2.2
192.00659	0.9
193.05074	0.9
197.04622	1.1
199.04074	2.3
201.01959	0.9
201.05473	1.0
203.07208	2.6
205.05185	0.7
205.07137	1.8
217.05084	2.6
227.07123	1.6
241.05020	4.5
243.03117	2.0
265.09296	1.0
271.06119	18.7
285.04062	17.3
286.04425	1.0
289.07224	5.5
315.08786	2.6
323.45685	0.7
345.09976	0.9
371.21378	0.9
459.15112	8.1
460.15152	0.7
461.12936	3.5
475.14990	1.9
477.13837	2.5
495.21121	0.7
569.77936	0.7
597.18372	28.0
598.18658	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03383	0.7
53.76249	0.7
54.89320	0.8
57.03450	1.5
59.01370	1.0
62.51174	0.7
67.92484	0.7
69.03451	1.3
69.20102	5.3
80.75616	0.7
81.03473	10.5
83.01405	3.0
84.69321	0.8
93.03467	5.2
95.01405	1.4
95.05038	8.0
97.02974	4.1
99.04530	5.7
104.01498	0.8
107.01398	0.9
107.05008	0.7
109.02972	1.2
111.04547	1.3
116.82811	0.7
119.05060	6.8
120.99477	0.7
121.02921	1.3
121.06583	1.0
122.03725	1.2
123.04540	15.5
125.02457	28.1
135.04558	2.2
137.02478	4.5
137.06090	10.4
139.04002	3.1
141.05621	0.9
147.04541	1.0
149.02444	1.5
149.06093	0.9
151.00320	1.0
151.04034	1.8
155.03560	1.4
156.34331	0.7
163.04048	1.4
165.01932	1.1
165.05586	7.4
166.02745	3.2
167.03508	59.4
168.03838	1.2
177.01871	0.9
177.05525	1.3
179.03500	9.7
180.04219	1.2
181.05099	1.8
189.05592	3.7
191.03517	3.1
193.05093	1.7
197.04535	7.5
209.04564	17.9
210.04839	0.8
221.04568	5.4
233.04565	2.6
239.05655	2.5
273.07697	9.7
285.07745	3.8
315.08771	100.0
316.09143	6.5
327.08798	1.8
339.08752	2.9
345.09818	25.5
346.10095	1.4
357.09799	3.0
369.09900	1.4
417.11865	1.4
477.14056	55.2
478.14493	4.0
507.15137	28.0
508.15427	2.0
519.15314	2.2
561.15778	1.2
579.17365	2.3
597.18134	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.183
Annotation	Catechin 3-O-rutinoside
Peak:m/z	Relative Intensity
50.42003	0.5
53.81474	0.4
56.43965	0.4
57.03422	1.5
57.24229	0.4
69.03438	0.7
70.30991	1.4
70.31347	0.5
81.03448	1.9
83.01407	2.8
93.03443	1.1
95.01389	0.9
95.05024	1.6
97.02948	4.5
97.80573	0.5
99.03062	0.5
108.02068	0.6
108.82375	0.6
109.02956	16.5
112.89235	0.5
121.02980	3.6
122.03726	1.2
123.04533	12.4
125.02462	11.7
135.04494	1.5
137.02454	16.8
138.03133	0.8
138.46207	0.6
139.03973	2.5
145.02934	0.9
146.03751	0.9
149.02461	4.6
151.04030	6.1
159.04558	2.8
160.05321	1.1
160.68747	0.5
161.02473	3.2
161.06105	3.6
162.03091	1.3
163.03998	1.6
164.01202	2.9
165.01921	6.0
167.03448	1.0
173.06075	0.8
174.03215	0.7
175.03992	1.7
175.07579	1.8
179.03511	5.5
187.03975	4.2
188.04723	2.3
189.01939	1.7
201.05544	0.7
202.06371	2.0
203.03532	1.0
203.05379	1.0
203.07141	11.4
205.05078	6.6
213.82570	0.6
217.08510	0.8
221.08197	1.7
227.07230	1.7
230.05940	0.8
231.02919	0.8
245.08203	16.4
245.10645	1.1
246.08606	1.1
247.06042	1.5
271.06100	0.9
289.07196	100.0
290.07513	7.1
313.07275	1.5
316.62396	0.7
445.13464	2.2
597.18317	18.2
598.18903	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.9
59.01386	2.0
59.36924	0.5
61.19129	0.5
67.42603	0.5
68.99814	1.4
69.03463	1.5
69.58477	0.5
71.01393	2.6
71.30493	0.6
72.20982	0.6
73.02956	1.2
75.00882	1.1
81.03459	7.6
83.01399	6.5
83.05045	0.8
85.02944	1.2
88.98852	0.6
89.02464	0.8
93.03477	6.5
95.01424	2.1
95.05034	5.4
97.02968	5.6
99.00888	0.7
99.04551	1.9
101.02454	0.8
107.05055	2.1
108.02171	1.1
109.02982	3.7
109.06616	1.2
111.00913	0.8
111.04542	2.6
113.02477	2.2
113.06146	0.5
116.06367	0.5
119.05032	7.7
121.02985	4.4
121.06623	1.6
122.03738	0.8
123.00913	0.9
123.04537	15.7
125.02459	12.4
125.03336	0.8
125.06115	0.9
131.05049	0.7
133.01456	0.9
133.06651	1.0
135.04536	4.5
137.02475	5.4
137.06104	7.2
138.03270	0.6
139.04025	9.2
139.07701	0.6
141.05618	1.2
145.02975	0.7
147.04543	4.0
149.02455	1.1
149.06113	1.4
150.03238	0.6
151.04039	3.9
151.07736	0.7
153.05617	2.1
155.03539	1.3
161.02458	0.6
161.06067	1.0
163.04057	4.0
163.07735	1.1
164.04800	1.1
165.01962	2.2
165.05588	8.3
166.02657	1.8
166.06390	1.2
167.03503	31.9
168.03873	1.0
175.04092	1.1
177.01976	0.6
177.05609	2.3
179.03499	7.5
179.07137	1.3
180.04150	1.3
181.05028	2.9
189.05611	8.1
191.03545	1.7
191.05608	0.9
191.07196	0.8
193.05070	5.1
197.04532	5.0
201.05612	0.7
203.03568	0.7
205.01541	0.6
205.05095	1.5
207.03008	1.2
207.06702	1.9
209.04550	27.7
210.04884	1.1
217.05119	0.6
219.03017	1.3
219.06697	1.0
220.03709	0.6
221.04532	5.0
223.06064	1.5
229.08630	1.8
233.04617	1.3
235.06013	1.2
239.05595	12.1
251.05626	5.0
263.05664	1.7
269.06656	2.1
271.09702	0.6
273.07632	3.3
281.06680	1.6
285.07773	1.8
289.07031	0.8
315.08731	15.5
316.09012	1.8
327.08713	7.3
328.09235	0.8
339.08505	0.6
341.10388	1.7
345.09778	6.0
355.08417	0.7
357.09821	100.0
358.10178	8.9
369.09760	5.4
371.11267	0.7
381.09256	0.7
387.10873	77.5
388.11139	6.5
399.10944	4.9
417.11902	25.8
418.12244	1.8
421.43588	0.5
429.11945	2.8
441.11948	1.4
459.12964	10.0
460.13522	1.1
471.12836	0.6
477.14078	18.5
478.14267	1.8
489.14047	7.0
507.15012	2.5
579.17175	1.0
597.18109	9.0
598.18622	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.6
59.01384	42.8
59.76777	1.8
61.98815	5.2
69.03463	2.3
70.60210	6.2
71.00993	2.0
71.01386	40.6
72.99319	3.4
73.02960	9.5
73.41187	1.9
75.00857	9.8
78.64530	2.1
81.03463	6.4
83.01391	6.5
85.02947	10.4
86.69645	1.9
87.00881	32.7
88.98817	2.3
89.02450	44.5
93.03471	6.3
95.05074	2.5
96.96045	3.6
97.02988	4.0
99.00909	9.6
100.01694	2.8
101.02451	26.3
103.06055	2.2
109.02971	3.4
111.00887	14.7
112.98820	5.9
113.02460	11.9
119.03537	7.6
119.05016	2.2
121.02979	4.1
122.03773	13.4
123.00912	8.1
123.04539	7.2
125.02475	14.1
129.01994	3.0
131.03511	32.5
135.04564	5.9
135.42151	2.3
137.02475	4.7
137.06160	2.4
142.99892	4.9
143.03511	4.5
145.02928	9.7
146.03375	3.5
149.02481	30.2
149.04526	23.4
149.09853	2.4
150.03241	89.1
151.00342	3.6
151.03987	6.7
159.37656	2.1
161.02480	5.8
161.04610	2.2
163.04048	7.0
164.04820	13.7
165.05576	100.0
166.02711	8.3
166.06000	5.5
167.03517	13.3
167.10809	3.3
173.00911	7.7
173.04752	2.2
174.01749	3.6
175.04016	6.1
176.04846	4.0
177.01935	2.3
178.06441	3.4
179.03548	8.7
179.07185	6.9
180.04321	8.6
181.05054	7.2
181.12436	2.2
187.13525	2.8
191.03517	6.4
191.05653	18.7
191.07137	2.2
194.05888	9.4
195.06639	43.2
195.08344	3.9
196.06862	2.1
203.07236	2.1
205.05034	4.5
206.05864	4.5
209.04669	3.6
209.08255	9.0
219.02969	3.0
219.58922	2.1
221.08270	6.7
234.05365	3.1
235.02278	2.1
237.07648	2.2
243.16083	8.0
247.02444	3.4
249.04329	2.0
249.07471	2.1
251.07780	2.7
261.03983	4.5
262.04886	6.1
263.05496	2.8
264.06497	6.9
265.07242	4.6
266.07932	2.2
276.06503	3.6
277.07166	15.3
285.04025	4.2
286.36258	2.0
289.07159	2.3
293.08862	4.8
297.13562	4.7
298.13803	2.2
299.13730	2.6
315.08765	18.5
322.06909	2.4
337.09317	35.5
338.09521	3.1
345.10056	4.6
369.13474	9.9
405.21350	34.9
406.21753	3.0
413.12692	3.2
423.12146	4.3
443.13425	2.5
461.14542	33.6
462.14935	3.1
473.14560	4.9
477.13965	13.9
507.15182	4.0
521.16797	4.8
531.15906	3.0
533.16992	8.9
537.25604	64.6
538.26373	5.6
579.17139	19.7
597.18402	97.9
598.18335	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75057	5.8
57.03442	7.5
59.01377	25.5
61.98834	75.1
63.27227	5.2
65.00323	13.8
69.43076	26.9
71.01382	17.5
75.00875	7.9
77.97041	4.9
81.03444	7.1
83.01387	11.7
88.94812	5.6
89.02438	20.1
89.47588	5.1
95.04994	6.4
96.95983	6.6
97.02994	6.7
101.02428	8.1
107.01408	19.3
113.02528	6.0
119.03407	5.8
119.05017	8.0
121.02952	10.3
123.04522	25.8
125.02496	26.4
131.56802	5.8
131.69350	5.5
137.02441	10.9
137.06071	9.3
139.04028	9.3
149.02402	9.2
150.03217	19.3
151.00363	57.1
151.03972	12.1
152.00749	21.5
153.00792	10.2
153.05608	7.1
163.04048	16.1
167.03539	34.0
178.99908	8.2
179.03529	12.8
179.05681	6.7
179.07111	7.3
189.05603	6.7
193.05042	8.9
195.06639	15.9
209.04599	34.8
218.45903	5.6
221.04665	6.2
285.04025	17.7
286.04376	22.1
287.04611	18.0
289.07303	9.8
315.08789	25.9
341.10193	10.0
345.09659	6.4
356.10040	5.9
357.09863	100.0
358.10300	6.9
371.11432	62.8
387.10861	77.4
417.11435	30.1
477.14005	21.8
489.14087	8.5
597.17255	32.1
597.26086	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36501	1.0
57.19191	1.1
59.01374	4.0
61.98819	3.6
66.44019	1.0
69.00899	10.7
71.01339	1.4
82.95432	2.4
84.95103	2.1
85.00441	3.5
88.31130	1.4
96.96957	1.4
99.04530	100.0
100.04856	2.1
100.40726	1.1
102.81203	1.2
115.04042	2.4
133.07811	1.2
152.22699	1.1
183.08730	1.2
195.51767	1.1
199.93976	1.0
211.04143	1.2
240.04335	1.6
251.03415	1.7
253.05006	1.3
255.02835	1.3
265.05087	2.0
267.03033	1.9
268.03821	2.4
271.02591	1.3
279.02905	1.5
283.06146	1.5
288.80844	1.3
289.06766	1.6
293.04608	2.6
295.02820	1.1
296.03326	2.3
297.03970	3.6
307.02554	2.9
309.04135	2.5
310.04840	1.7
311.05707	3.0
322.04755	1.5
323.05698	2.9
324.02679	3.4
325.03571	1.7
325.07025	1.6
337.03348	1.6
339.05020	4.1
340.06198	1.3
352.05667	1.4
353.06909	2.3
354.07379	2.4
365.06781	2.5
367.04568	13.1
367.08502	2.0
382.06931	8.9
383.07425	1.8
397.09241	17.3
415.10345	2.8
416.94907	1.3
497.14590	28.5
498.15024	2.6
597.19714	9.5
597.28558	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05287	0.9
59.01374	1.7
61.98840	2.1
68.99551	1.5
69.03446	1.7
69.12709	4.5
69.13132	3.5
71.01384	1.9
71.05027	27.2
72.07578	0.8
78.95879	0.8
82.95390	1.4
85.00426	1.4
87.00841	1.1
95.34555	0.8
96.96022	1.0
96.97009	0.8
99.04527	47.0
100.04871	1.1
103.01559	1.1
112.98538	2.2
113.02424	0.8
115.04025	100.0
116.04357	2.1
251.07005	1.0
253.05035	2.2
265.04962	1.0
266.05533	0.8
267.06665	1.4
269.00900	0.9
277.05255	1.6
281.01471	0.9
281.04333	1.8
293.04544	2.6
294.05505	1.5
295.06219	2.7
305.04602	3.1
307.06088	1.5
321.04202	1.6
322.04834	2.0
323.05664	7.0
325.07416	1.1
333.04041	1.0
336.06378	1.6
337.07062	2.1
338.07855	1.8
351.05038	10.7
351.08887	1.3
352.05896	1.0
353.10480	1.7
365.06451	1.5
366.07434	6.7
367.08270	3.5
368.08813	1.2
381.09860	6.1
383.11539	1.5
481.14993	4.6
497.14529	26.8
497.69205	1.0
498.14862	3.5
568.70380	1.0
579.80096	0.8
597.19830	32.7
598.20087	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2167
Annotation	ligraminol B
Peak:m/z	Relative Intensity
53.64293	0.5
57.25663	0.4
59.01368	0.9
61.98857	2.2
69.05428	4.3
75.00891	0.4
78.95917	1.5
80.82699	0.4
85.00454	1.5
96.96030	0.9
96.96949	1.4
99.04532	2.0
99.92596	26.9
100.92614	0.9
101.18779	0.4
114.16584	0.5
115.92094	12.0
116.92872	100.0
117.44908	0.5
117.92891	3.7
139.07620	0.6
205.53705	0.4
251.14543	0.9
315.08496	0.5
347.23746	1.0
354.45114	0.7
441.15088	0.5
447.16580	1.1
453.30121	1.8
455.31439	0.6
473.14493	1.1
474.14139	0.6
491.15326	5.0
492.15784	0.7
561.19781	0.8
579.20569	8.6
580.20758	0.9
597.21661	26.6
598.21887	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03755	1.1
57.94666	1.3
59.01372	4.6
60.99315	15.0
61.98836	18.3
67.01904	1.5
71.01395	2.2
72.99310	4.3
75.00869	1.2
79.11953	1.1
80.30457	1.1
85.02963	1.4
87.00889	1.9
88.78526	1.4
88.98815	100.0
89.02444	6.3
109.06667	1.8
110.75663	1.2
149.06082	1.2
151.04059	1.3
179.03505	5.8
179.10742	1.3
180.04222	1.7
183.33723	1.2
191.05606	2.9
194.05836	5.6
195.06581	3.6
209.08214	3.6
215.07025	1.3
225.07622	1.5
259.06158	1.4
269.04590	1.6
270.04865	1.5
283.98279	1.1
287.05426	1.4
288.06259	1.3
301.03568	1.7
364.85550	1.3
417.19623	1.4
418.25574	1.5
435.16846	6.4
542.52435	1.3
550.29718	1.5
551.29700	1.4
579.24377	3.3
597.25122	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54964	0.8
59.01380	21.3
60.48026	0.8
61.98815	1.2
63.06060	0.9
68.99864	11.9
70.44897	0.9
71.01376	1.7
74.29911	0.9
75.00884	5.6
85.02971	1.3
89.02469	1.3
95.74754	0.9
98.22598	2.2
108.02180	11.8
109.02972	3.2
119.05048	2.1
121.02969	3.6
123.00878	5.0
123.04514	10.1
132.02208	2.1
138.03246	5.7
148.01698	1.1
149.02454	2.8
150.03259	7.4
161.02431	3.6
162.03224	5.7
163.04028	6.9
165.01982	1.2
165.05536	1.3
166.06361	7.0
171.26668	1.0
171.71431	1.0
174.03255	0.9
177.05583	17.4
178.02722	17.1
179.03502	4.8
181.08719	5.2
191.05600	2.1
193.05067	25.5
255.03116	1.1
256.03424	1.9
257.03616	1.4
260.64380	1.0
285.03830	1.0
286.03748	1.5
287.04132	1.3
330.10699	1.0
342.11151	1.1
345.13394	5.0
357.13379	1.1
375.14505	100.0
376.14856	7.3
382.78625	0.9
387.10831	2.1
433.08279	1.3
597.15735	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70339	0.6
56.74441	0.6
59.01389	0.9
61.13638	0.6
69.09915	6.0
90.09308	0.5
90.54881	0.6
97.06564	0.7
99.04528	100.0
100.04871	2.5
123.94329	0.6
126.21247	0.5
135.22487	0.7
252.23822	0.6
264.04340	1.1
265.04965	0.8
279.06693	1.3
292.03879	0.7
293.04608	3.0
295.24536	0.7
307.06088	1.0
308.06876	1.7
318.55420	0.6
323.09274	1.6
335.05750	0.7
367.08133	1.3
383.11511	2.7
397.07803	0.6
397.12946	1.7
497.18396	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.2
69.74267	1.1
71.01370	0.4
71.36726	0.3
78.95451	0.4
78.95909	6.8
80.96326	0.8
83.05040	0.8
96.96976	1.3
97.06603	0.5
99.04529	100.0
99.92569	0.4
100.04879	1.7
103.03726	0.3
116.92820	0.8
123.45015	0.3
130.58864	0.3
152.99594	8.0
153.99986	1.7
155.00041	1.4
171.00703	0.4
211.00360	0.4
213.02071	0.3
216.99867	0.3
223.00037	0.6
226.02705	0.4
241.01250	2.1
241.05142	0.5
242.01668	0.7
242.58002	0.3
243.01521	0.6
257.04401	0.7
264.04303	1.6
265.05038	0.9
267.06802	0.5
270.01767	0.8
278.05771	0.4
279.03534	0.4
279.06601	1.6
279.23251	2.8
280.23544	2.4
281.04794	0.3
281.23859	2.5
284.03320	0.4
285.03949	0.6
292.03876	1.0
293.04596	4.0
293.07733	0.5
294.01788	0.3
294.05072	0.4
295.06177	0.5
296.06845	0.6
301.03494	1.0
307.06104	1.7
308.06799	2.3
309.04126	0.4
309.07593	0.6
315.05017	1.3
316.05652	1.3
317.05368	1.0
323.05759	0.4
323.09244	3.3
325.07306	1.1
335.05609	1.2
335.09351	0.5
339.08884	1.0
340.09570	0.8
345.78912	0.4
350.07831	0.6
351.08655	0.5
353.06683	1.0
365.10266	1.2
367.08170	3.1
367.11969	0.5
368.08817	0.9
382.10657	2.0
383.11374	6.1
385.09076	0.4
397.12985	8.0
398.13303	0.8
400.11563	1.1
415.14029	22.7
416.14340	2.1
443.13516	1.2
465.15958	0.5
482.15854	1.7
497.18216	42.1
498.18588	5.0
576.10352	0.4
597.29510	11.5
598.29785	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59979	0.6
59.01394	2.9
61.98821	2.5
63.00349	0.6
71.01379	0.9
76.56120	0.6
82.95425	0.7
83.05025	3.5
84.95114	1.4
87.00877	0.9
92.54650	0.6
98.21826	1.8
99.04529	100.0
100.04858	1.5
100.10465	0.6
157.45175	0.6
168.33009	0.6
203.22374	0.6
226.02779	0.8
248.16638	0.7
251.74821	0.7
257.04642	0.9
259.06104	0.8
263.11670	0.6
264.04291	2.4
265.04971	0.8
279.06635	1.3
281.04675	1.2
281.07983	0.6
292.03790	1.5
293.04523	5.2
294.05295	1.5
295.06033	0.7
296.03296	1.3
300.92447	0.6
305.08157	0.8
307.06134	2.3
308.06940	1.7
309.07535	1.0
323.05713	1.2
323.09384	2.8
325.07123	1.2
335.05579	1.4
335.09125	0.9
339.08694	1.8
350.07983	2.6
351.08707	2.1
353.10306	2.5
354.10959	1.3
355.11829	1.2
365.10309	4.7
367.08118	3.1
382.10489	1.2
383.11258	3.6
395.07697	0.7
397.12836	8.9
402.73523	0.7
403.17575	1.5
415.14157	3.1
417.13644	0.8
435.14572	1.1
465.15610	3.4
467.59641	0.7
497.18253	13.5
498.18823	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70225	1.4
57.03447	3.0
59.01368	4.3
60.99305	4.3
61.98828	26.2
67.01890	28.3
69.03468	2.9
70.23451	4.6
71.01394	2.6
72.99313	90.3
73.02930	4.1
75.00871	1.7
83.05013	2.7
85.02942	6.5
85.06597	1.9
87.00881	1.7
88.98820	20.9
89.02451	3.5
95.05009	3.5
96.96023	2.3
97.02973	2.7
97.06594	4.1
101.02412	1.8
107.05033	3.9
109.02982	2.0
109.06590	27.6
111.04552	3.4
112.98825	3.2
113.02480	9.7
113.06087	3.8
119.04974	2.3
121.06623	8.7
122.03741	2.3
123.04520	2.1
123.08154	6.9
125.02415	2.4
125.06084	13.5
129.05580	3.0
133.06587	2.5
135.08151	4.0
137.06105	7.5
138.06787	1.8
139.07648	13.5
139.25008	1.6
141.89388	1.5
147.08177	9.2
149.06076	4.1
149.09802	3.3
150.03186	1.6
151.07660	4.7
161.09760	2.5
163.07683	4.1
163.11279	5.1
165.09175	3.1
166.40846	1.6
169.05080	35.8
173.09647	2.2
175.04080	1.6
175.07590	4.8
175.11349	2.0
177.09206	3.9
179.03526	2.0
179.10782	37.7
182.10834	1.6
185.06020	2.7
187.06133	46.3
187.07605	2.0
189.09358	1.7
191.05681	2.8
191.10735	6.8
193.12260	2.7
197.09807	2.5
199.07703	2.0
201.09172	2.4
203.06973	3.3
203.10825	8.3
205.37996	1.8
207.10287	3.7
215.10806	3.2
217.08760	2.3
217.12286	6.3
221.11830	1.8
223.09773	3.8
225.11252	3.3
227.10785	5.9
229.12421	3.4
231.10373	1.8
231.13963	3.0
239.10776	2.5
241.12439	1.8
243.10333	1.9
245.11848	5.8
247.13365	2.9
257.11688	3.8
259.13422	2.4
260.06400	1.8
267.13779	3.2
273.14920	2.9
285.15012	2.3
287.22241	1.9
289.14459	1.7
349.17838	3.6
355.19324	2.7
367.19156	3.9
373.20343	4.7
375.27396	2.4
389.21118	3.7
391.17841	2.2
407.22345	5.6
409.18625	7.0
419.22043	2.2
425.23376	3.0
437.23380	6.4
443.24518	4.6
449.27548	2.5
451.21359	2.8
455.24185	5.1
463.21243	4.5
469.22284	29.9
470.22766	4.0
473.25842	1.7
481.22577	8.3
487.23401	19.9
488.23639	2.5
499.23462	13.5
500.23807	2.2
505.24481	30.3
509.19974	2.7
517.24445	17.5
525.20831	2.6
535.25391	8.4
543.22357	14.4
561.23242	27.2
562.23212	3.2
579.24469	100.0
580.24725	10.5
597.25519	39.3
598.25812	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	3.4
58.37677	2.7
59.01378	11.0
61.98835	30.6
62.06747	2.1
67.01893	36.9
68.96962	2.1
69.03455	3.2
69.14703	13.1
72.99313	86.8
74.40508	2.2
77.77876	1.8
83.05025	2.7
85.02946	7.6
95.05058	4.0
95.36246	1.9
97.06592	4.2
98.22495	3.2
99.04546	2.2
107.05004	3.8
109.02989	3.4
109.06602	26.7
112.98824	3.4
113.02440	5.3
113.06094	5.9
113.28902	2.0
121.06586	5.3
123.08175	4.9
124.05334	2.6
125.06087	16.2
127.04037	4.0
127.07635	2.3
129.05563	3.4
135.04504	3.9
135.08229	5.6
137.06087	8.4
138.06773	3.0
139.07668	13.2
145.02983	2.5
146.54549	2.2
147.08168	7.2
149.06172	3.0
149.09679	2.3
151.07680	5.2
151.11249	3.2
161.09789	3.3
163.07637	3.3
163.11259	5.8
164.08438	3.2
165.09253	3.9
169.05078	36.2
175.07707	2.9
177.09201	6.3
179.10783	34.3
185.06087	3.5
187.06117	39.0
187.07744	2.9
189.09187	3.5
191.10767	5.3
195.10268	2.7
203.10789	7.5
205.08707	2.8
207.10300	3.4
215.10823	3.6
217.12303	4.9
223.09814	3.4
224.22607	2.2
227.10741	6.0
229.12292	4.6
230.62572	2.5
241.12508	2.7
243.10216	4.1
245.11926	2.9
247.13313	5.4
257.11893	4.7
259.13467	5.2
317.17529	2.7
355.19135	2.6
358.36383	2.6
362.60471	2.3
367.19046	2.9
373.20212	5.0
407.22394	5.9
409.18729	5.6
425.23221	3.4
437.23288	5.6
443.24042	3.7
451.21240	2.7
455.24484	3.5
463.21130	3.4
469.22424	17.2
470.22568	4.5
481.22098	10.2
487.23483	17.7
499.23459	14.9
505.24451	27.5
517.24463	13.3
535.25519	3.1
543.22070	16.1
561.23376	21.4
579.24445	100.0
579.33612	5.0
580.24896	13.4
597.25507	24.9
598.25977	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33673	2.6
55.01876	2.7
57.03446	10.9
58.00606	3.6
58.90204	2.5
59.01383	88.5
60.99317	5.0
61.98841	15.3
62.59626	2.1
69.37440	2.6
70.90811	2.2
71.01389	66.6
71.29659	2.5
71.30043	2.7
72.99297	4.6
73.02953	10.9
75.00879	9.2
81.03448	2.8
83.01402	5.8
85.02953	14.2
86.79673	2.2
87.00900	15.3
88.98811	48.0
89.02451	83.9
93.03461	8.4
95.69528	2.5
96.96014	4.8
99.00887	7.1
101.02457	36.6
109.16937	2.5
111.00907	7.6
111.04507	3.0
113.02461	16.7
116.92888	16.0
117.01936	3.0
119.03508	11.2
119.05028	2.6
121.02967	4.8
122.03786	5.6
123.00927	5.5
123.04561	5.2
125.02476	16.8
129.01959	2.7
131.03514	47.3
133.02907	2.6
135.04526	2.7
137.02464	3.9
143.03528	4.0
148.01917	2.7
149.02573	12.3
149.04570	49.0
149.09718	15.5
150.03247	47.7
151.00433	3.1
151.03967	8.0
153.09239	5.6
161.02486	3.7
161.04556	6.1
163.04033	5.8
164.04814	6.6
165.01929	5.0
165.05603	46.0
166.02713	3.0
166.05916	2.6
167.03510	7.6
167.10767	28.0
173.00925	6.4
173.04611	4.9
175.04071	2.7
176.04869	2.5
179.03481	5.3
179.05637	7.0
179.07109	4.2
180.04361	5.4
181.05035	5.8
191.03767	3.4
191.05646	51.9
191.07358	4.6
194.05862	3.3
195.06618	24.1
206.05722	3.1
207.61821	2.4
209.04599	3.8
209.08192	3.7
225.15018	3.7
243.16002	7.6
249.04240	2.5
249.07542	5.1
251.07741	4.5
262.04855	3.4
265.07043	3.0
277.07300	5.1
281.95572	2.6
293.08704	2.6
297.13702	4.2
315.08856	6.2
337.09256	20.0
338.10040	3.2
345.09567	3.0
369.13467	3.4
405.21292	42.9
406.21573	5.0
461.14609	15.9
477.14273	6.7
507.14270	3.3
521.17078	4.7
533.17065	3.4
534.10211	2.8
537.25653	100.0
538.25757	10.0
579.16840	9.0
597.18512	40.7
598.17786	4.8
605.60193	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	9.8
58.00599	6.0
59.01385	100.0
61.98832	3.8
65.89485	3.4
69.03468	7.2
71.01385	72.8
72.34415	3.5
73.02950	8.7
85.02970	16.7
87.00845	5.3
87.10065	3.7
89.02453	93.7
98.22540	7.4
99.00900	9.0
101.02454	40.2
113.02460	16.1
119.03532	10.9
125.02466	14.6
131.03508	70.0
134.07347	3.9
135.08197	3.6
141.44765	3.5
143.03534	3.6
149.02513	3.6
149.04550	65.0
149.09727	36.2
150.03233	6.5
150.54192	4.1
153.09187	17.5
161.04564	10.6
165.05608	5.1
167.10779	50.9
179.05707	5.5
191.05600	41.9
225.14954	6.2
243.16055	19.4
251.08107	3.5
256.88239	3.8
259.20618	3.4
273.89914	3.9
293.08817	9.7
405.21359	43.7
486.63977	3.9
537.25525	90.7
538.25806	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.67745	1.4
61.98840	6.8
69.00608	3.9
69.01008	10.0
69.07667	1.4
70.14664	1.2
71.04994	1.4
75.00869	2.9
84.95113	1.4
85.00439	3.0
87.00878	15.2
88.45113	1.4
99.04521	2.1
100.62730	1.4
103.01501	73.1
103.04005	1.4
115.04034	4.9
116.92872	1.8
119.66309	1.3
130.78912	1.5
175.00606	1.6
237.72002	1.4
285.17044	1.5
297.68320	1.6
298.17813	1.5
307.33905	1.6
436.50577	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95301	2.6
59.01383	100.0
61.98829	2.4
69.03471	2.4
71.03289	6.9
71.05032	23.6
82.95441	4.2
83.30955	2.4
84.95137	4.4
85.00417	4.9
87.00893	9.8
87.05122	2.5
91.43945	2.8
96.96004	3.1
98.22393	2.7
99.04530	38.1
103.01508	85.7
111.53909	2.4
115.04021	75.7
175.49332	2.3
179.85933	2.6
239.73979	2.7
270.01581	3.1
330.65173	3.1
343.19266	2.9
351.05127	6.0
366.07449	4.6
367.08066	4.6
373.08011	2.6
381.09775	6.6
441.26294	5.7
481.15308	3.9
497.14438	21.2
582.74249	2.7
597.19861	26.6
597.28229	4.1
598.19653	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98835	17.6
72.99307	4.3
75.00874	7.9
82.95419	5.9
84.65953	3.2
87.00891	10.2
98.22530	6.6
103.00410	4.1
103.01503	69.0
103.03998	3.1
120.01262	29.6
120.21918	3.0
126.39615	3.2
191.51756	3.1
292.91467	3.1
310.54062	3.2
337.49774	3.4
447.95200	3.5
492.33569	3.4
597.28357	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81968	13.5
54.00920	14.7
59.01384	82.6
60.30946	17.2
61.98817	23.4
63.48579	14.9
69.09201	100.0
69.09606	31.8
74.70641	13.9
75.00884	22.3
101.02467	15.5
103.01494	35.8
103.03967	25.3
123.48328	17.4
220.83644	14.7
250.09488	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69252	2.6
59.01387	100.0
61.98840	7.6
71.31127	4.4
82.95446	4.8
84.95164	2.9
85.00470	4.7
103.01509	78.1
105.38658	3.0
149.02473	4.8
164.04819	8.7
179.07172	5.9
382.99988	3.6
383.84406	3.4
417.15726	3.9
459.52637	3.5
464.95334	2.8
515.13721	3.2
553.47290	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.305
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
61.98821	5.0
62.70300	2.9
63.19039	3.3
71.07221	3.5
71.07552	4.9
72.01079	3.0
78.95910	76.1
93.83738	3.2
96.96985	9.5
107.09361	4.0
152.99599	100.0
173.83792	3.5
223.00148	8.7
241.01303	21.9
281.24878	56.8
285.63449	3.6
315.04926	10.0
372.00415	3.6
597.30371	99.7
598.30695	7.7
617.59253	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01732	0.8
70.80009	0.6
71.32483	1.0
78.95918	0.7
82.95428	0.7
96.96093	0.7
115.08299	0.6
115.92136	0.8
118.33524	0.6
144.28105	0.6
183.76576	0.7
260.70837	0.6
477.26587	1.0
517.35632	0.7
521.86847	0.7
537.28680	6.0
624.96368	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43387	0.4
51.82367	0.4
59.01379	2.0
61.98836	18.9
69.24797	3.7
71.01378	1.0
72.96709	0.5
72.99297	1.0
75.00875	9.6
78.63145	0.5
81.03462	13.1
83.05032	43.0
84.05354	0.6
89.02456	1.5
93.03458	0.5
100.07684	6.1
101.02440	0.7
105.86796	0.5
109.02927	0.7
109.06557	0.7
118.21452	0.5
123.04475	0.7
125.02472	1.2
126.05639	0.9
137.02451	0.9
177.02037	0.5
182.15523	0.8
199.18182	7.5
224.17876	1.1
225.16092	9.5
226.13547	0.5
229.80649	0.6
241.01532	1.2
242.02303	0.9
243.02953	0.8
243.17130	20.8
244.17293	0.8
269.04379	0.8
269.15085	1.8
291.07895	0.5
309.21686	1.2
341.06830	0.9
353.20853	6.8
355.12036	0.6
417.14203	0.8
445.05453	3.3
451.32916	2.1
469.33997	14.8
470.34216	1.4
553.39899	0.9
561.14105	1.0
579.23798	1.2
579.37738	3.2
597.38702	100.0
598.39050	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82514	0.2
52.47178	0.2
58.63865	0.2
59.09229	0.2
61.98835	100.0
62.98538	0.2
63.98145	0.2
65.74875	0.2
68.98554	1.7
214.46320	0.2
340.40128	0.2
563.12512	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57006	6.7
51.87439	7.0
59.01377	98.5
61.98816	26.2
70.64753	17.1
84.41679	6.0
87.00861	12.4
89.02515	7.7
99.04506	14.6
103.01498	57.2
115.92062	7.7
129.98477	6.4
183.67078	8.4
235.74763	6.8
255.03058	8.9
298.04861	31.8
316.74200	8.6
327.04913	10.2
341.06747	14.5
369.06116	14.6
399.10925	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30715	4.1
55.44802	4.9
61.98837	43.9
69.17781	21.7
69.18200	18.0
80.80088	4.3
96.73218	4.4
98.12963	4.3
98.22485	6.8
212.67943	4.7
225.05458	10.8
240.04314	28.5
240.07928	11.3
240.46237	4.9
241.05092	13.5
255.06633	92.5
256.07306	15.7
270.08936	69.0
271.09711	40.6
301.10855	100.0
302.10950	7.7
310.91882	4.8
402.74362	5.7
513.98279	5.0
598.38995	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.7
61.13105	0.5
61.98834	100.0
66.15839	0.4
68.17796	0.4
70.87212	0.6
70.87543	0.7
78.79267	0.5
96.96078	0.6
99.04557	0.5
99.92599	4.8
100.92620	1.7
115.92070	2.6
116.92082	1.0
116.92863	17.3
117.92877	6.5
118.92741	0.9
134.94896	0.5
164.71344	0.5
220.09607	0.5
244.93607	0.5
301.18253	0.5
313.04669	0.5
382.70715	0.5
453.30585	0.6
492.15848	1.3
494.24857	0.5
580.20923	2.2
598.22083	8.2
598.31348	0.8
599.22406	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40510	0.1
52.52745	0.1
57.70180	0.1
59.01379	0.8
59.67929	0.1
61.98833	100.0
63.99265	0.2
71.01378	0.2
89.02453	0.2
98.22523	0.3
99.00939	0.1
101.02475	0.2
110.72950	0.1
113.02438	0.2
119.03501	0.1
138.73973	0.1
139.50752	0.1
151.04025	0.1
157.77438	0.1
171.10318	0.1
173.04604	0.2
234.10588	0.1
245.11819	0.1
255.03174	0.2
284.03415	0.2
311.65982	0.1
344.14838	0.2
373.26334	0.2
401.25766	0.2
535.31537	0.3
562.29596	0.3
563.14746	0.3
598.30109	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.7
61.98836	100.0
69.03749	2.1
70.01428	0.2
71.01390	0.3
73.02967	0.2
75.00862	0.3
78.39098	0.2
85.02972	0.3
89.02443	0.3
101.02490	0.3
116.79510	0.2
123.04523	0.2
214.55034	0.2
235.53566	0.2
245.11914	0.6
255.03180	0.4
284.03409	0.3
373.25717	0.2
376.27881	0.4
399.24130	0.2
535.31415	0.2
563.14294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.5
61.98825	1.1
62.26511	0.6
69.03440	0.8
71.05023	12.2
75.00892	0.7
82.95412	1.5
84.95131	1.2
88.98854	0.7
97.02918	1.5
99.03928	1.4
99.04530	16.0
99.05122	1.3
112.98491	0.8
115.04023	46.1
116.04387	0.9
122.55222	0.6
136.98492	0.7
171.10257	0.9
173.92542	0.7
209.06018	0.9
225.05713	0.9
226.06425	0.7
237.05542	1.0
238.06512	1.1
239.07233	1.2
241.05107	1.4
253.05055	1.4
253.08707	1.0
254.05807	2.1
255.03003	0.8
255.06473	1.1
263.07117	1.0
264.04251	5.5
265.05069	10.3
267.06592	2.3
269.00955	2.0
269.04532	1.6
269.07993	1.4
279.06702	2.5
280.03702	1.4
280.07080	0.7
281.04434	1.3
281.08081	1.3
282.05365	2.2
283.02628	0.9
283.05685	1.3
284.03351	1.6
292.03897	0.8
293.04654	7.3
293.07791	1.5
294.05209	1.1
295.06058	1.4
296.06918	1.0
297.04492	0.9
297.07745	5.5
298.04910	1.4
307.06232	2.2
308.06885	3.2
309.04324	1.3
309.07443	3.6
310.04947	1.5
311.05740	1.5
321.04156	1.0
323.05762	1.2
324.06094	0.8
325.07141	13.4
326.07764	2.3
336.06357	1.7
337.07294	3.9
338.08002	1.4
339.08862	2.1
351.08881	1.6
353.06674	15.1
354.07101	1.4
367.08246	1.6
368.08942	5.2
383.11383	100.0
384.11710	8.1
399.10529	1.3
483.16675	38.8
484.17001	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57346	0.8
58.44513	0.7
59.01390	6.4
61.98821	3.3
64.63151	0.7
71.01378	0.8
71.05034	5.0
98.22564	1.7
99.04532	14.3
101.02455	2.1
103.01476	3.7
115.04023	26.0
115.04806	1.6
115.92094	2.0
116.04384	0.9
116.92859	1.6
171.10233	1.6
213.05496	2.0
223.04037	1.1
226.06349	1.2
228.88422	0.8
237.05664	0.9
239.03546	0.8
239.07207	1.2
241.05019	1.7
242.02213	0.8
251.03722	0.8
251.07146	1.6
253.05057	1.1
254.05798	2.3
255.06685	2.2
264.04303	3.6
265.05072	11.1
265.16415	0.8
266.05545	1.0
267.06598	1.2
268.07202	1.0
269.01202	1.0
269.04590	1.7
269.08099	1.0
271.02307	0.9
279.06683	1.8
280.03751	1.6
281.04535	1.4
281.08105	1.0
282.05313	2.5
283.06107	2.0
293.04605	6.3
294.05411	1.3
294.08957	1.8
295.06049	3.5
296.06824	1.4
297.07623	6.3
300.49323	0.8
307.06152	2.0
308.06894	3.4
309.07697	3.1
310.04755	2.3
311.05655	2.3
323.05746	1.7
323.09286	0.9
324.06619	1.1
325.07184	19.2
326.07614	2.5
335.05600	1.6
337.07007	4.1
338.04468	0.9
338.07965	0.9
339.08646	2.1
340.09338	0.8
353.06680	18.6
354.06985	1.3
367.08371	1.0
368.08997	8.0
383.11368	100.0
384.11639	9.3
483.16641	29.4
484.17038	3.8
599.21338	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.5
61.98836	9.4
69.14262	10.3
71.05018	2.1
82.95415	4.7
83.67303	1.0
84.95113	2.7
85.00439	10.3
85.02946	2.9
87.00877	3.9
96.96011	1.5
97.02953	5.9
98.22556	1.9
99.04523	14.8
103.01530	2.0
111.98994	1.1
115.04015	25.8
161.90437	1.4
171.10262	3.4
209.06120	1.7
209.11777	2.0
212.30948	1.2
213.05467	1.3
237.05458	1.2
238.06100	1.6
239.07021	1.8
241.05067	2.6
249.05766	1.4
254.05725	1.7
264.04269	4.4
265.05090	7.4
266.05670	1.8
267.03094	1.2
267.06693	2.4
269.04465	1.6
279.06653	2.5
282.05322	1.9
293.04645	6.5
294.05460	1.7
295.06027	2.7
296.06760	2.0
297.07666	4.2
300.02774	2.1
307.06036	1.8
308.06876	2.0
309.07751	3.4
310.04898	2.1
325.07205	16.9
326.07547	1.8
335.05402	1.4
336.06100	1.4
337.07211	4.4
339.08990	1.4
353.06638	20.2
354.07062	1.6
368.08990	9.3
383.11349	100.0
384.11600	6.7
483.16476	22.8
484.17111	3.6
494.98215	1.3
499.16122	3.0
599.21002	6.8
600.21899	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.0
59.01383	59.5
61.98834	2.5
63.14408	0.7
69.03959	4.2
69.04385	4.8
71.01360	0.9
81.03484	2.0
82.03825	0.9
89.02422	0.8
93.03484	2.6
93.80099	0.8
95.05059	1.9
98.21740	1.9
99.04545	1.4
113.14526	0.9
119.05057	1.2
121.02953	2.3
122.03768	2.0
123.04479	4.3
124.57993	0.9
125.02454	5.8
132.46973	1.0
135.04607	1.0
137.02463	2.3
137.06065	1.1
147.04555	1.0
149.02449	44.1
150.03256	12.7
151.04070	1.1
164.04796	13.2
165.05579	19.0
166.06293	2.3
167.03526	6.3
167.07146	2.8
168.03908	4.0
169.03975	2.0
179.03508	1.7
179.07101	1.2
180.04213	1.3
181.08736	1.4
195.06638	14.7
196.06894	0.9
197.04329	1.0
209.04599	2.7
210.04904	1.3
249.47308	0.9
259.06653	1.0
282.09155	0.8
314.11642	25.5
315.08734	7.5
315.12024	1.9
316.09100	6.6
317.09360	9.3
329.13953	100.0
330.14374	8.6
331.66937	0.9
345.09955	1.7
346.10028	1.0
347.10492	2.7
375.06219	0.9
377.16077	42.8
378.16501	4.3
441.07095	0.9
477.14597	1.6
478.14322	3.4
479.14615	11.7
509.15613	3.9
605.02350	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20235	6.1
59.01383	95.8
61.98813	12.6
64.89697	6.4
69.02880	56.9
69.03231	7.1
71.01388	70.8
71.20480	5.6
75.14246	6.5
89.02451	100.0
90.80347	6.1
91.97628	6.6
98.21780	9.6
101.02453	25.9
106.75540	6.5
113.02441	25.6
114.44108	5.4
119.03524	24.6
138.67607	6.1
179.05579	35.5
244.14635	6.5
434.66129	6.2
599.26605	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86046	4.2
59.01384	100.0
60.99310	5.1
61.98835	50.4
69.26502	39.0
71.01392	74.9
72.99326	5.2
73.02946	7.2
73.18619	4.6
83.05015	4.5
83.70063	4.4
85.02951	11.7
86.84271	4.3
87.00845	8.3
88.98795	8.2
89.02452	78.7
101.02453	37.0
101.50180	5.3
113.02454	28.5
119.03511	30.4
121.02950	11.1
139.07672	17.6
143.03494	7.0
161.04637	8.6
162.03224	13.0
166.06444	8.1
177.05551	9.5
178.86790	5.9
179.05626	38.0
189.02026	5.0
191.05659	6.9
213.11382	12.3
256.03192	5.8
272.02695	10.6
273.03140	8.6
301.03134	17.3
302.03192	25.9
303.03918	10.7
304.03763	7.8
341.06671	11.6
342.07043	10.3
343.07166	14.1
436.11240	6.9
437.11398	17.5
599.14496	33.8
599.23352	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.8
60.99314	15.0
61.98816	4.2
65.25542	1.0
72.99268	1.2
75.00866	4.8
79.96171	1.1
82.95428	2.1
85.00438	2.0
87.00874	8.7
87.04511	2.7
88.00423	2.9
88.98815	100.0
89.02451	20.4
93.32290	1.1
97.02979	2.0
99.04488	3.0
100.36298	1.3
111.04508	1.5
158.60449	1.2
171.10272	2.6
209.11887	2.0
250.45500	1.3
390.92429	1.5
533.27350	5.8
535.28662	1.9
568.60822	1.3
627.99591	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00806	0.9
59.01377	5.1
60.99314	16.5
61.98830	5.0
69.03461	2.2
71.01408	2.1
72.99304	1.5
87.00888	4.3
88.00397	3.2
88.98814	100.0
89.02453	32.5
89.02862	0.6
109.02959	1.2
113.02449	7.9
131.17458	0.9
137.09718	1.2
146.73996	0.9
151.07617	2.4
165.09178	1.1
171.10287	20.1
201.26801	0.9
209.11852	18.3
212.37001	0.9
315.72070	1.0
393.08286	1.1
407.19171	1.2
465.72797	1.1
471.94299	1.1
477.22791	1.3
500.79718	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68525	2.6
78.95927	0.7
80.10172	0.5
89.05592	0.6
99.04524	15.5
99.08192	0.8
101.06084	100.0
102.06432	2.2
111.04491	0.7
167.86378	0.7
230.48776	0.7
253.04884	0.9
264.04272	1.8
265.05017	1.1
292.03958	0.7
293.04669	4.5
307.06030	1.6
308.06894	2.3
323.09207	1.5
335.05713	1.5
339.08844	0.8
350.07819	0.9
351.08768	1.0
367.08154	3.8
368.08636	0.8
382.10675	1.7
383.11310	2.6
397.12994	4.5
415.13931	3.1
446.94324	0.7
469.15775	0.8
484.17462	1.8
499.19763	41.0
500.20074	4.8
516.31134	0.7
599.24780	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22916	1.7
55.99352	1.6
61.98819	8.0
62.78487	1.8
66.44977	1.6
74.65805	1.8
99.04527	100.0
99.92593	12.2
100.04855	3.2
115.92067	6.3
116.92873	15.1
136.75743	1.8
139.67033	1.8
171.10254	2.6
204.57355	1.7
209.11833	3.7
265.04590	1.9
267.06714	4.8
279.02872	2.1
280.03482	3.3
283.02301	1.9
283.06027	4.8
285.04095	3.8
287.05643	1.9
294.05359	2.6
295.06088	6.1
296.06619	2.4
298.08371	2.1
309.07565	2.1
311.05731	4.3
313.07483	3.1
313.10892	7.1
315.08600	2.4
322.04739	2.8
326.07965	3.0
328.09595	1.6
337.07220	4.1
339.05188	9.3
340.01233	2.0
341.10526	2.2
343.12061	2.5
351.08707	7.6
352.09433	1.9
353.10345	4.1
354.07437	4.4
355.07971	2.1
367.11832	4.3
369.09702	25.1
370.10104	2.9
381.13385	4.7
384.12125	14.7
399.14536	39.1
400.14703	4.5
439.10196	4.4
447.55542	2.5
449.48129	2.2
469.15366	9.5
484.17764	3.6
499.19867	19.3
519.52161	1.8
519.59589	2.2
568.06177	1.9
599.23077	14.0
600.23633	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02028	2.8
61.98819	8.4
69.31473	10.4
69.31905	11.8
78.95918	4.1
99.92596	100.0
100.92628	3.8
100.93401	4.0
115.92086	75.7
116.92115	6.2
116.92873	52.7
117.92767	3.3
118.27388	3.0
152.99519	3.9
181.98222	2.7
197.96243	11.8
472.08069	4.0
499.34189	6.3
551.21442	12.5
552.21472	5.7
569.25330	6.0
581.25934	39.2
582.26349	5.6
583.23828	6.8
599.26587	51.4
600.27887	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13561	1.6
58.17014	1.7
58.20614	1.7
59.01383	100.0
61.56194	1.6
61.98833	6.8
71.32241	2.8
72.99316	19.0
75.00871	5.6
87.00870	2.0
89.69926	2.0
97.02962	2.1
99.04543	3.7
99.92597	3.2
103.00458	3.1
103.01507	76.3
116.70793	1.8
116.92861	4.5
121.56261	1.9
128.02260	1.8
129.77951	1.7
133.05045	2.7
134.20528	1.7
165.82579	1.7
173.15567	2.2
192.21127	1.8
295.49365	1.9
300.66238	1.7
351.16641	1.9
383.11462	5.7
483.16946	2.7
523.42230	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62762	13.3
59.01387	100.0
60.51551	12.5
75.00883	23.9
79.85670	12.5
87.96631	12.3
88.94296	14.7
90.40462	16.5
98.22599	41.2
99.04527	25.6
103.01521	50.3
103.03997	15.6
105.28204	15.2
113.19408	12.5
127.50578	14.2
150.60477	13.5
159.22816	13.0
225.03477	16.7
229.45378	19.4
269.72580	13.8
284.29251	15.0
318.22034	14.6
350.70334	15.9
383.11560	18.3
406.81778	17.5
537.50842	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.298
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77563	1.9
59.01385	100.0
61.98830	17.4
71.19270	2.0
71.32213	3.4
78.95904	3.7
79.41994	2.0
85.00437	6.9
93.85881	2.1
99.04539	2.8
99.92591	10.8
103.00438	2.6
103.01505	68.0
103.02190	4.1
115.92112	2.9
116.92873	16.0
117.92819	2.2
151.81645	2.1
277.21640	2.4
290.48666	2.2
306.24237	2.3
329.85779	2.2
561.13812	2.6
581.22162	4.8
599.22925	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98828	8.7
62.76381	1.6
66.57218	1.5
69.88509	1.5
71.32325	2.1
74.88605	1.5
82.43996	1.5
83.49297	1.8
85.00449	2.9
87.00893	14.6
88.98833	1.8
96.95986	1.9
99.04531	97.2
99.92602	2.3
100.04892	4.4
103.00462	3.2
103.01508	84.3
116.92867	4.8
146.45323	1.6
201.09172	1.6
208.71391	1.6
267.06738	4.5
270.01797	2.0
279.02798	1.8
283.02609	1.8
283.06128	5.9
285.04269	1.9
294.05225	2.6
295.06073	3.3
302.07898	2.4
310.08563	2.4
311.05679	4.5
313.07318	1.9
313.10831	7.1
323.05548	2.6
326.07855	4.1
327.08640	2.5
337.07111	2.1
339.05142	5.4
341.10199	2.3
351.08810	4.8
353.10379	3.6
354.07510	4.5
367.11893	3.7
368.12619	3.0
369.09671	15.0
369.13290	1.7
370.10779	1.9
381.13470	2.8
383.11319	2.3
384.12262	11.1
399.14511	29.0
400.14728	4.2
417.15845	3.1
424.06992	1.9
431.83118	1.8
439.10416	2.7
469.14899	7.4
484.17261	3.4
499.19748	15.3
500.20322	2.6
599.23657	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01724	1.0
61.98824	0.9
69.09798	2.5
69.10210	0.8
69.27142	0.4
71.33588	0.3
87.00863	0.4
103.01550	0.6
106.28459	0.3
116.92897	0.7
117.73430	0.3
238.47859	0.3
344.69958	0.4
382.79352	0.4
607.25616	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51110	0.2
55.61188	0.2
57.03476	0.2
59.01380	0.3
61.98835	100.0
63.12703	0.1
71.00860	0.2
71.29683	0.3
72.37543	0.2
87.47460	0.2
96.96040	0.3
108.02196	0.5
109.03005	0.2
121.02995	0.3
123.04557	0.7
125.02454	0.9
137.02489	0.4
148.54639	0.2
151.04070	0.3
209.04572	0.2
221.08360	0.2
243.85181	0.2
289.07269	0.3
345.13699	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05539	3.2
54.98789	3.4
59.01374	6.4
61.98847	23.4
70.82963	3.4
71.01381	13.2
71.31104	5.7
72.99315	6.4
73.02950	12.1
87.00890	21.6
88.98851	8.8
89.02441	10.7
95.05075	7.3
104.34183	3.3
109.06609	7.3
117.01956	7.0
120.65376	3.5
121.06572	5.1
123.08164	8.1
135.04546	4.6
135.08208	5.8
137.02553	3.4
137.06117	21.3
145.10240	6.1
149.06026	3.8
151.07651	11.1
161.06111	11.8
163.07664	9.5
165.05583	4.8
167.07228	3.6
173.06158	4.1
177.05670	6.2
179.07178	6.6
189.09294	3.8
191.07147	6.7
192.05505	3.6
193.08696	5.8
209.08252	13.8
297.09772	42.4
317.15533	12.1
333.18680	12.5
339.12680	5.4
377.17648	11.3
421.16617	30.7
477.19223	36.0
495.20169	8.3
513.21112	5.4
539.19159	67.9
540.19763	11.4
557.20331	100.0
558.20514	8.1
571.15149	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	0.4
71.27898	0.4
78.95911	59.5
79.95735	1.1
88.98773	0.4
89.02434	0.6
96.96032	51.9
96.96980	100.0
126.14719	0.4
161.04529	0.4
179.57133	0.3
258.98932	0.4
259.02277	1.0
270.03522	0.4
303.59003	0.3
366.45895	0.4
503.16440	0.8
533.43829	0.4
601.13953	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.41618	0.3
69.48653	1.0
71.01357	0.5
73.12296	0.3
78.95911	55.0
79.95780	0.5
81.55135	0.3
89.02462	0.4
96.96044	24.0
96.96967	100.0
121.20132	0.3
179.05518	0.5
259.02014	0.9
337.66092	0.3
503.15540	1.2
557.27545	0.3
601.13824	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.8
59.01394	14.3
61.98822	7.6
70.07021	1.8
71.01393	10.6
71.29078	2.7
71.29469	1.9
77.30342	1.7
78.95896	4.4
85.02964	3.0
89.02455	17.5
96.96040	2.7
99.41324	1.7
101.02451	6.6
109.02964	2.4
113.02442	5.5
113.73380	1.6
115.05515	2.3
119.03499	5.4
121.03009	2.6
125.02453	10.0
127.05021	1.9
129.07146	2.0
129.96689	1.9
131.05046	2.8
132.44510	1.7
133.06622	3.5
137.02460	2.8
137.40176	1.6
147.04549	22.6
149.02419	4.7
151.00380	2.0
151.03993	3.0
156.05841	2.7
157.06622	6.0
158.03810	1.6
159.04544	12.3
161.06064	4.0
167.03607	3.6
167.05019	5.5
168.98341	2.1
173.06035	3.9
179.05568	6.2
183.04462	3.3
185.06142	9.9
187.03992	15.0
195.06525	2.3
200.04779	2.0
201.05579	11.3
211.04015	8.5
229.05069	100.0
230.05403	5.0
273.04025	16.2
289.07190	4.4
327.10815	9.7
420.95056	1.8
454.69849	2.0
581.33594	1.8
601.13605	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01217	2.6
57.03450	28.8
59.01376	18.8
60.61720	3.2
61.98823	11.3
69.07954	23.1
72.99321	3.9
73.02945	8.3
85.00445	14.9
88.98843	4.5
98.25494	3.0
101.02470	7.2
107.05045	3.0
109.02962	4.4
109.06599	8.0
121.06602	23.1
123.04561	4.4
123.08173	6.4
125.02459	5.7
133.06642	4.1
135.08177	6.1
137.06094	4.7
145.10211	10.5
149.02437	4.9
149.06107	5.1
151.07654	21.8
151.35583	3.5
154.22565	3.0
161.06107	11.3
161.09712	6.1
165.01891	4.5
165.09244	4.4
171.11819	5.5
173.13365	3.4
174.06801	8.8
179.07159	44.7
185.13362	4.1
189.09258	27.4
191.10754	7.0
201.09250	4.2
204.31003	3.3
215.10722	4.8
219.10246	11.0
266.54877	3.7
280.09589	4.5
281.10324	38.1
295.13568	4.0
309.11325	3.1
317.15515	24.2
321.18704	4.3
333.18536	23.4
357.18634	12.2
373.21863	6.2
377.17688	23.1
391.22971	5.4
406.14276	5.0
417.20920	7.8
421.16638	82.0
422.17114	7.3
435.21524	8.3
445.17093	5.8
461.19754	51.7
462.19830	5.5
479.20868	12.4
497.21655	13.1
509.06607	4.2
523.19739	100.0
524.20026	10.7
541.20874	87.0
542.21228	13.1
601.30420	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	29.2
57.54379	2.1
59.01384	20.5
61.98849	2.8
64.23013	2.0
68.99244	15.3
68.99656	4.0
70.54170	2.0
71.05012	3.2
72.99310	5.1
73.02952	6.3
77.27969	1.9
97.06617	3.0
101.02480	6.9
109.06601	9.4
121.06612	15.4
122.03783	2.7
123.08176	6.7
133.06573	5.0
135.08174	5.9
136.05331	3.4
137.06122	8.3
145.10240	8.0
149.06108	6.0
151.07660	16.1
161.06114	9.1
161.09785	7.4
163.07675	2.2
165.05496	2.8
165.09196	6.6
171.11862	3.3
173.09770	4.9
174.06821	10.1
175.11363	2.9
179.07140	37.5
185.13521	2.6
189.09212	23.4
190.06622	2.1
191.10847	9.7
201.09250	6.1
207.06778	2.3
207.10265	10.2
212.53389	2.2
215.10756	3.4
219.10265	13.6
253.10840	6.9
269.61237	2.1
281.10336	66.4
293.15570	2.9
303.14032	3.4
305.15219	3.4
315.17645	2.5
317.15457	26.6
317.18842	3.1
318.15872	4.0
319.17181	2.9
333.18652	28.4
349.14435	2.6
357.18658	7.4
359.16696	2.6
373.21832	7.4
377.17722	20.9
378.17712	4.0
391.22910	4.2
417.20798	10.5
418.21545	3.1
421.16562	100.0
422.16943	13.5
435.21747	11.2
445.17001	3.4
446.17346	3.5
461.19739	48.4
462.20294	4.7
479.20761	16.9
497.21854	7.5
523.19714	79.2
524.20178	11.4
541.20844	56.6
542.21375	5.0
601.23059	5.8
629.47089	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	21.2
61.98836	60.6
68.94823	4.2
71.01384	13.2
72.99296	9.0
73.02989	5.7
85.02965	4.8
89.02457	10.0
96.96053	6.4
101.02471	8.9
105.58999	5.7
109.02953	6.8
121.03021	7.5
122.03719	5.7
123.04551	9.4
125.02466	10.6
128.39996	5.4
141.16994	4.9
150.03220	11.5
151.04019	10.7
161.02475	5.6
164.81125	5.6
165.05536	11.5
195.06700	8.0
201.36363	4.9
209.08063	8.6
228.78584	6.5
247.13405	13.4
327.12299	6.0
354.84814	4.6
403.17798	5.8
421.16608	8.2
439.17642	19.0
463.23233	6.9
559.21918	32.7
565.27057	26.8
601.24048	100.0
602.24408	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98087	3.2
59.01376	44.4
60.99297	10.5
61.98835	48.6
69.08068	25.7
69.08472	3.9
71.01368	7.5
72.99321	7.0
75.00845	3.9
85.02953	3.6
86.55956	2.7
87.00893	12.1
88.00401	9.1
88.98815	72.3
89.02451	100.0
93.55654	3.4
96.96010	2.8
101.02442	3.0
106.65958	2.8
107.65464	2.8
110.32594	2.9
113.02460	3.5
121.06594	3.5
139.07643	8.9
158.02141	4.3
171.10292	40.4
172.10559	6.8
209.11765	5.0
210.12085	4.1
211.13414	24.8
270.36295	2.9
280.60632	2.9
316.43518	3.1
345.20865	4.5
403.25342	5.1
439.30643	3.2
523.23688	3.9
541.24512	13.2
562.12274	3.5
601.36230	52.4
602.35931	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52854	4.6
57.03431	5.6
59.01382	70.2
61.98830	100.0
63.58804	4.1
69.03468	21.2
69.74337	4.3
71.01385	10.5
72.13110	4.1
72.99300	7.6
73.02957	4.8
75.00867	8.4
75.90383	4.2
80.91698	7.4
81.03448	5.3
83.05020	27.9
85.00455	5.4
85.02957	7.6
87.00883	19.2
88.14526	4.6
88.98820	12.0
89.02447	14.3
93.03495	5.4
96.58648	3.9
96.96030	5.1
97.02968	12.7
98.22564	14.1
101.02423	5.1
108.02203	5.0
109.02946	7.7
111.08184	5.7
113.02441	27.5
121.06615	17.5
123.08095	5.6
125.02455	19.3
127.04047	41.6
135.04521	9.5
137.02480	6.0
137.06071	13.2
137.09724	17.0
139.07645	7.9
147.08202	4.8
151.07651	40.8
153.05606	8.4
165.01932	4.4
171.10280	6.5
175.11287	4.3
191.05356	4.8
203.14513	7.7
209.11720	6.8
211.11368	4.1
211.13443	5.2
227.10851	5.7
246.76083	4.7
247.13446	12.3
365.21091	5.6
385.16617	17.0
387.18579	5.3
409.20285	15.0
461.23352	11.1
479.24374	17.4
505.22455	11.1
507.23544	5.3
523.23456	14.5
541.24347	76.2
542.24469	12.0
596.41205	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01710	1.0
61.98829	12.6
65.17908	0.9
69.04037	9.6
71.01379	3.0
73.02948	1.7
75.00890	1.4
80.71210	0.9
80.91653	2.9
83.05021	1.2
85.02937	1.4
85.08530	1.0
87.41917	0.9
91.99199	0.9
94.79247	0.8
95.05015	1.9
99.00861	1.3
99.04508	1.8
105.07098	1.9
109.06567	1.0
111.08167	2.3
113.02484	1.0
121.06593	1.0
123.08139	2.2
125.02431	2.1
135.04462	2.6
137.06090	2.6
137.09712	1.3
139.07658	17.4
151.07643	1.6
163.07658	1.9
209.11768	1.5
213.12822	1.4
320.14325	1.0
339.15808	1.5
357.17148	2.0
401.15982	3.1
402.17075	1.7
431.20447	1.5
479.24536	1.9
505.22348	1.4
519.31665	2.8
523.23505	2.6
541.24219	32.3
542.24622	5.0
601.25653	1.4
627.74109	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.5
59.01380	23.6
60.15556	2.6
61.98826	28.8
63.70781	2.8
69.03463	18.3
71.01389	7.8
71.32312	3.4
73.02963	3.9
73.34918	2.5
81.03489	3.1
83.05032	28.9
85.02979	3.7
87.00872	4.1
89.02478	3.9
93.03480	7.9
94.03736	3.0
95.01385	2.8
95.05022	3.3
96.96042	4.1
97.02944	14.9
99.04527	5.4
101.02443	5.4
107.05045	3.0
108.02204	2.5
109.02966	5.9
111.08180	4.0
113.02444	23.3
122.58459	2.7
124.01666	3.9
125.02481	17.5
127.04030	33.9
133.06606	4.6
135.04570	7.5
137.06088	17.2
139.04037	5.8
139.07687	7.4
147.08209	3.7
149.06161	3.4
149.09708	3.3
151.04036	6.3
153.05592	6.9
159.08171	4.2
161.09787	3.8
163.07684	3.1
187.03931	3.0
191.05612	5.7
191.07152	3.2
209.11932	5.2
211.11469	3.4
215.10843	2.8
227.03537	3.2
231.32124	3.0
247.13455	4.9
265.75043	2.5
277.83633	2.6
283.13553	3.9
284.03387	5.2
285.04050	8.4
305.15564	3.0
323.16360	4.5
339.05392	2.6
365.21121	5.6
385.16638	11.8
387.18347	6.9
399.23157	3.3
409.20401	13.0
410.20261	3.7
413.19934	7.8
427.21411	6.8
443.20871	15.6
461.23563	4.1
479.24521	5.1
497.25650	5.2
505.22311	10.7
523.23334	29.0
524.23309	3.3
541.24457	100.0
541.54645	3.4
542.24750	12.3
563.13953	3.9
623.43665	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.5
59.01380	23.6
60.15556	2.6
61.98826	28.8
63.70781	2.8
69.03463	18.3
71.01389	7.8
71.32312	3.4
73.02963	3.9
73.34918	2.5
81.03489	3.1
83.05032	28.9
85.02979	3.7
87.00872	4.1
89.02478	3.9
93.03480	7.9
94.03736	3.0
95.01385	2.8
95.05022	3.3
96.96042	4.1
97.02944	14.9
99.04527	5.4
101.02443	5.4
107.05045	3.0
108.02204	2.5
109.02966	5.9
111.08180	4.0
113.02444	23.3
122.58459	2.7
124.01666	3.9
125.02481	17.5
127.04030	33.9
133.06606	4.6
135.04570	7.5
137.06088	17.2
139.04037	5.8
139.07687	7.4
147.08209	3.7
149.06161	3.4
149.09708	3.3
151.04036	6.3
153.05592	6.9
159.08171	4.2
161.09787	3.8
163.07684	3.1
187.03931	3.0
191.05612	5.7
191.07152	3.2
209.11932	5.2
211.11469	3.4
215.10843	2.8
227.03537	3.2
231.32124	3.0
247.13455	4.9
265.75043	2.5
277.83633	2.6
283.13553	3.9
284.03387	5.2
285.04050	8.4
305.15564	3.0
323.16360	4.5
339.05392	2.6
365.21121	5.6
385.16638	11.8
387.18347	6.9
399.23157	3.3
409.20401	13.0
410.20261	3.7
413.19934	7.8
427.21411	6.8
443.20871	15.6
461.23563	4.1
479.24521	5.1
497.25650	5.2
505.22311	10.7
523.23334	29.0
524.23309	3.3
541.24457	100.0
541.54645	3.4
542.24750	12.3
563.13953	3.9
623.43665	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98841	16.9
63.10943	5.2
64.68595	5.5
69.08994	24.6
69.09413	29.4
71.05016	6.1
71.29831	5.1
75.00881	16.8
75.75098	6.4
87.00879	8.7
88.98813	8.3
99.04527	13.0
101.02511	7.0
103.00404	11.6
103.01502	61.2
104.72257	5.4
112.45634	5.4
115.04020	22.8
116.04296	7.4
120.99661	6.5
211.13580	8.1
240.07048	5.9
266.05698	8.7
325.07025	6.7
326.07321	7.2
338.07596	6.8
338.83347	7.5
383.11295	19.8
384.11841	35.5
385.11935	55.9
484.17334	6.5
485.17331	21.5
489.11017	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40275	1.1
58.34216	1.1
59.01384	100.0
61.98846	1.4
66.82690	1.1
71.31705	1.1
71.32101	2.1
72.99301	1.7
75.00867	2.9
78.22361	1.0
87.00903	1.8
88.98807	2.1
89.02427	2.5
97.11734	1.1
103.00373	4.4
103.01506	85.7
110.71849	1.2
115.19704	1.1
137.15913	1.4
171.10263	1.8
211.13469	1.9
299.10797	1.3
456.47720	1.2
461.58688	1.4
602.08002	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
61.22357	0.3
61.98835	100.0
70.79908	0.6
71.01411	0.3
79.95767	0.4
89.02448	0.3
96.96032	1.8
125.02411	0.4
132.72229	0.3
161.04643	0.3
203.77441	0.3
310.07571	0.3
364.03699	0.3
485.84186	0.3
553.80304	0.3
601.42316	0.3
603.16907	1.8
613.47815	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75169	0.3
59.01377	0.8
61.98834	100.0
62.88262	0.3
69.09076	1.9
71.01382	0.7
83.26853	0.3
84.68584	0.3
89.02472	0.6
93.65038	0.2
96.96053	0.3
98.21686	0.5
101.02486	0.6
117.32138	0.3
119.03595	0.3
122.65891	0.3
123.04558	0.3
125.02481	0.8
141.40326	0.3
149.04607	0.9
151.04071	0.4
191.05627	0.7
210.69824	0.3
411.20514	0.7
440.30911	0.3
602.16803	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99319	100.0
97.02915	19.9
109.06625	14.5
122.03786	11.6
126.94723	8.8
137.06107	79.2
181.97025	8.2
204.05521	8.4
274.48083	7.8
285.14758	10.0
329.13995	9.3
403.14252	11.9
404.14804	11.6
421.15012	36.0
449.19629	17.4
457.18921	9.3
467.20737	68.0
541.20612	22.6
559.21863	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.3
59.01393	1.6
69.01524	8.3
69.01939	6.1
70.80076	1.4
71.01410	1.4
71.05022	4.2
73.02953	13.6
73.24282	1.4
83.05040	1.8
93.03489	2.8
97.02936	8.3
107.05013	2.3
109.06581	11.3
121.06595	2.8
123.08195	2.3
133.06607	3.0
137.06090	3.2
141.07126	3.8
149.06046	1.7
159.08157	1.6
161.06071	3.3
161.09714	2.8
163.07607	1.5
163.11288	4.5
171.08206	2.6
182.73854	1.4
189.09123	3.6
191.10640	2.1
201.09265	5.5
207.10226	2.4
208.76028	1.5
215.07150	2.8
215.10829	5.1
217.12305	1.6
237.13013	2.6
243.10271	4.1
245.11864	2.1
249.14989	1.7
255.10417	1.8
255.13950	4.2
273.11380	8.8
273.14371	1.9
277.12128	2.0
285.14893	1.6
295.16718	1.4
299.13165	1.9
305.11829	3.3
307.16849	1.5
317.13983	10.5
319.13095	2.5
333.18573	6.5
347.15103	2.8
349.18225	3.2
351.19748	16.5
357.20590	1.5
359.16559	4.0
367.19009	1.6
377.17477	4.5
383.14679	3.2
384.48047	1.7
391.22980	2.4
395.18704	1.9
405.16791	3.0
409.23877	3.2
417.20816	4.3
421.16821	4.6
423.18097	4.3
435.21805	2.1
439.17523	13.0
440.17673	1.8
453.22876	4.3
457.18744	7.2
459.64764	1.5
469.22220	5.3
471.24445	7.9
479.20874	15.1
497.21875	56.7
498.22113	6.3
506.82281	1.5
515.23401	7.5
515.30072	1.5
536.28656	1.5
541.20837	8.1
559.21869	100.0
560.22314	13.9
567.23322	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91753	1.1
56.40425	1.2
57.03461	7.6
59.01382	3.5
61.98822	1.8
69.02370	11.5
71.01395	2.0
73.02957	10.8
83.52087	1.1
84.94347	1.2
89.02476	1.8
93.03486	4.0
95.05022	2.9
97.02959	3.9
101.02451	2.2
107.05020	2.9
109.02934	1.8
109.06592	3.9
121.02967	3.9
121.06587	1.4
123.04560	1.9
123.08208	1.5
125.02479	1.5
133.02950	1.3
133.06645	2.4
135.04533	1.9
137.06064	3.5
141.07144	3.4
141.57535	1.2
145.06664	1.3
149.06119	2.3
151.07693	1.8
159.08160	2.2
161.06114	3.0
161.09758	2.5
163.11334	4.0
165.02013	3.6
167.07126	1.8
172.05310	1.3
173.06113	1.6
174.06860	1.3
175.07674	1.4
177.05540	2.6
187.07663	2.4
189.09187	2.9
191.10756	3.0
193.05034	1.7
199.11391	1.6
201.09250	3.1
203.07152	1.5
213.09215	1.3
215.07176	3.1
215.10791	5.0
231.14041	2.2
237.12912	3.0
243.10249	1.7
247.11256	1.4
249.15007	4.8
255.13837	3.1
273.11346	5.9
273.15085	1.3
277.12234	1.2
281.15579	2.7
282.19418	1.3
285.14996	1.6
291.14014	1.6
307.13675	1.3
317.14059	7.2
319.13358	2.9
325.17947	1.2
333.18619	7.5
337.14478	2.3
347.15335	3.4
351.19641	9.4
357.20642	1.4
359.16507	4.4
365.13779	3.6
377.17618	4.7
383.15009	2.4
385.66257	1.3
391.23151	1.7
395.18759	3.1
405.17108	1.7
417.20734	5.1
421.16467	4.3
423.18158	3.5
435.21774	4.5
439.17715	12.2
441.19302	2.9
453.22708	1.7
457.18826	4.8
469.22107	4.7
471.23938	12.0
472.24030	2.6
479.20724	8.0
497.21854	37.6
498.22119	6.8
515.23145	7.6
516.23370	2.5
541.20886	8.8
542.20618	1.4
559.21881	100.0
560.22266	14.1
566.18402	1.4
602.22736	5.1
603.24658	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.2
61.45036	0.3
61.98837	100.0
62.54985	0.3
63.86774	0.3
69.11247	2.9
71.01408	0.3
72.99329	0.5
87.00887	0.6
88.98837	0.7
92.97459	0.4
98.22562	0.7
104.89418	0.3
119.63074	0.3
119.77634	0.3
123.04549	0.4
124.04861	0.3
125.02453	0.7
137.02461	0.7
159.06956	0.3
167.98959	0.3
171.10333	0.5
185.80159	0.3
209.11876	0.5
211.13554	0.4
262.91132	0.3
270.38721	0.3
274.04062	0.3
417.04639	0.3
543.25928	0.5
602.30963	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.2
61.45036	0.3
61.98837	100.0
62.54985	0.3
63.86774	0.3
69.11247	2.9
71.01408	0.3
72.99329	0.5
87.00887	0.6
88.98837	0.7
92.97459	0.4
98.22562	0.7
104.89418	0.3
119.63074	0.3
119.77634	0.3
123.04549	0.4
124.04861	0.3
125.02453	0.7
137.02461	0.7
159.06956	0.3
167.98959	0.3
171.10333	0.5
185.80159	0.3
209.11876	0.5
211.13554	0.4
262.91132	0.3
270.38721	0.3
274.04062	0.3
417.04639	0.3
543.25928	0.5
602.30963	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	3.0
61.98835	100.0
69.71227	4.2
98.21912	1.7
161.52507	1.1
181.36266	1.2
218.65175	1.1
375.87164	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	11.8
59.01370	4.0
61.98816	7.1
63.00727	2.1
69.35098	15.2
73.02952	100.0
85.00456	12.8
88.98830	2.2
96.07877	2.1
98.03736	3.3
99.00919	2.5
99.04517	27.6
103.18178	2.5
117.01958	12.7
121.02937	9.7
152.38824	2.4
183.08153	2.1
258.29767	2.2
264.35190	2.2
299.20135	14.5
311.19977	2.4
343.19162	55.9
344.08160	2.2
344.19394	5.3
383.22305	6.7
401.23413	7.9
441.26434	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	1.2
59.01390	8.1
59.12151	1.2
60.99304	1.3
61.98826	5.5
62.59536	1.2
71.32347	2.1
76.58868	1.1
88.98811	11.4
89.02452	1.5
89.84659	1.3
99.04531	65.6
121.02969	100.0
122.03307	2.2
125.72135	1.3
197.02412	1.8
198.03166	1.8
203.47662	1.1
212.04721	1.2
223.07585	3.0
226.02765	1.9
239.07233	2.5
249.05457	1.6
250.06470	1.5
251.07028	5.7
253.04909	1.8
254.02306	1.7
265.08643	2.0
267.06653	4.1
269.04535	10.1
279.06580	3.1
293.08148	3.1
294.08823	2.2
295.06152	7.3
296.06567	1.5
309.07779	3.2
310.08340	2.8
313.97598	1.4
322.08484	2.0
323.05606	3.6
338.07953	6.5
339.08652	5.7
349.07431	1.2
353.10376	20.8
354.10870	1.6
381.09778	26.5
382.10080	3.6
503.13461	31.9
504.14075	3.6
517.15582	1.5
545.27637	1.8
603.18707	4.9
621.92120	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51484	1.0
59.01377	10.2
61.98829	4.5
69.16621	11.0
71.05020	1.2
82.10959	1.3
82.79449	1.3
83.05037	4.0
87.00853	1.2
88.94284	1.1
96.96035	1.4
98.22548	2.3
99.04527	59.2
115.04022	3.6
117.07811	1.0
121.02967	100.0
122.03265	2.2
127.04025	1.5
135.92253	1.0
162.84009	1.2
163.84465	1.4
239.07233	2.2
248.70456	1.2
253.05057	2.0
259.75900	1.5
265.05173	2.1
277.05026	2.2
278.05673	1.4
281.04572	1.4
293.04611	2.6
295.06137	1.8
307.06061	2.1
323.05670	4.7
324.05954	1.3
335.05362	1.5
337.07211	1.9
338.07877	1.8
351.05081	6.9
366.07516	3.1
367.08191	2.0
381.09821	5.8
400.55295	1.2
481.15112	37.1
482.15448	4.0
503.13074	1.2
507.23889	1.7
508.24326	1.7
535.48657	1.2
603.18597	13.0
604.19354	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	1.2
69.15242	8.7
69.15656	2.4
83.75002	1.1
98.21715	2.1
99.04523	30.6
121.02966	100.0
122.03322	3.8
180.46733	1.3
208.05005	1.3
215.91505	1.2
268.07431	1.3
281.04681	1.8
291.06540	1.5
295.06250	1.8
305.04385	1.6
323.05826	2.5
351.05054	3.4
366.07211	2.0
381.09824	4.8
442.63110	1.5
481.15381	1.6
497.51617	1.5
503.13647	12.8
504.13809	2.6
567.32373	2.6
587.84088	1.3
601.61700	1.5
603.18726	13.0
603.28003	2.5
604.18866	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91964	0.7
61.72298	0.8
61.98831	2.1
65.12784	0.8
70.44640	0.8
71.30124	1.0
78.95904	0.9
96.96026	11.1
98.21714	1.0
99.04530	45.8
116.92886	1.0
118.89988	1.6
121.02966	100.0
122.03345	3.9
126.44327	0.9
152.99568	2.1
163.58653	0.8
173.26187	0.8
271.97012	0.9
366.34662	0.9
367.11572	1.5
381.13318	3.2
399.14569	1.3
481.18497	2.5
505.29416	4.4
566.23480	0.9
567.23511	1.6
604.23181	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.0
58.00603	1.3
59.01382	42.7
61.35829	1.2
61.98824	1.8
69.46216	4.0
69.46628	4.3
71.01391	27.5
72.99294	2.6
73.02966	2.0
80.91715	1.8
83.01388	3.2
84.42873	1.3
85.02949	7.7
87.00877	1.5
89.02448	25.4
95.01394	2.1
96.96043	1.5
101.02460	18.3
109.02957	3.8
113.02451	8.1
114.70485	1.1
119.03523	13.1
121.02967	1.4
122.03764	1.4
132.99010	1.2
133.06612	5.3
135.04546	2.1
137.06032	1.5
139.07683	7.0
159.79893	1.3
161.04657	2.8
179.05629	2.4
191.05617	1.5
195.43619	1.6
204.11488	1.6
205.12317	2.6
330.13193	8.5
331.13937	5.7
423.16864	1.9
441.17648	100.0
442.18033	9.7
465.17734	3.7
543.23743	2.6
602.77136	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88524	5.5
59.01379	48.2
61.98838	30.6
71.31174	9.0
71.31533	6.8
72.99313	100.0
87.00894	5.6
137.06110	6.5
298.17172	6.7
334.59985	6.2
337.80881	6.1
451.21274	57.4
452.21820	7.4
455.17545	5.7
470.40118	5.9
501.76141	8.1
525.21558	13.6
543.22101	38.5
544.22522	8.3
575.33575	6.7
593.02264	6.1
619.79602	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47044	4.3
55.66066	4.5
59.01386	24.8
61.98834	16.9
66.19865	4.5
69.58079	24.5
72.99310	100.0
75.53626	4.6
79.42155	4.2
87.00867	5.6
93.07100	5.3
95.64560	4.5
97.02975	20.7
137.06107	17.5
191.10703	4.9
203.30826	4.1
228.85324	4.9
237.55621	4.6
276.12308	4.3
345.18604	4.9
379.81027	5.9
389.17294	5.9
407.18646	13.4
415.19272	11.8
433.15784	8.6
433.20743	8.1
451.21753	43.7
463.21204	21.4
481.22525	10.6
525.21460	27.9
543.22412	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46299	1.0
59.01373	4.1
61.53082	1.2
61.98825	3.2
65.36501	1.2
69.10878	6.3
69.11310	4.7
69.41257	1.1
71.01382	1.8
78.95907	1.4
89.02448	2.1
93.03478	2.5
96.96954	1.4
98.22589	2.1
101.28831	1.1
102.49725	1.1
102.80308	1.2
109.02953	2.9
110.43618	1.1
119.01377	2.5
121.02967	24.7
122.03749	15.8
123.04539	2.9
125.02493	2.2
133.02950	2.2
134.03729	1.2
135.04517	3.5
137.02475	3.1
149.02454	35.9
149.04420	1.4
149.06084	1.3
150.03233	91.4
151.03775	1.8
158.53117	1.3
164.01202	1.6
164.04794	9.2
165.01939	16.1
165.05580	97.6
166.06374	62.0
167.03534	1.9
167.06992	3.5
170.95807	1.1
177.05559	2.1
177.71080	1.2
179.03491	8.8
180.04283	17.3
181.04858	1.8
181.08717	31.8
191.07199	1.2
194.05867	2.8
195.06635	100.0
196.06987	4.5
205.05023	2.1
225.07669	5.8
249.14970	3.5
255.06641	2.7
256.06970	2.7
270.09018	1.9
271.09442	1.9
297.07474	2.5
299.09216	1.2
301.10806	4.1
302.11145	2.9
329.10364	9.6
329.13800	1.7
343.11871	5.2
344.12613	10.6
359.11185	2.0
359.15005	38.0
360.15372	2.4
373.08188	2.6
373.12936	49.8
374.13446	2.9
390.63214	1.3
395.10284	1.5
407.17258	3.3
411.20557	1.5
421.15121	9.1
441.18985	7.5
555.22131	14.4
556.22632	1.6
603.25092	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12428	21.5
54.60471	18.2
59.01373	62.0
69.06411	100.0
69.06825	73.0
71.12283	21.2
73.72297	19.8
82.95425	62.8
93.23536	19.4
97.02949	35.5
98.30494	23.7
101.02484	21.2
125.02473	32.3
137.06055	63.5
243.79854	19.3
249.14999	52.1
290.34076	22.4
336.16443	24.3
339.54404	25.0
377.52719	22.6
389.21213	28.0
397.00491	24.1
451.17273	35.8
463.21167	41.7
481.22321	28.7
498.22964	24.3
525.21545	29.9
543.21820	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37125	13.7
55.29524	13.9
59.01384	76.9
61.98830	46.9
69.07969	100.0
69.08379	27.7
71.01392	33.0
72.99313	60.5
73.02968	17.8
85.02975	20.2
88.98814	18.0
95.05011	16.6
97.02956	26.6
98.21729	24.7
101.02446	21.0
125.02476	24.5
129.83188	14.0
137.06189	33.1
173.06104	14.7
249.14993	36.1
253.42453	12.5
295.63269	15.3
386.10895	13.2
389.21622	20.0
407.18594	16.3
440.17776	16.5
441.18512	17.4
451.17593	63.0
463.21283	20.2
486.21841	20.0
525.21173	34.5
543.21344	24.6
543.28790	31.8
557.20105	23.3
560.22003	46.6
603.22784	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.0
59.01389	4.9
59.68022	0.9
61.98840	8.3
69.10819	8.5
71.01391	1.6
74.87078	0.9
80.91662	1.0
83.01404	2.0
89.02444	3.3
93.03464	4.8
96.96026	1.1
97.02917	1.5
101.02460	1.7
104.68610	0.9
105.65527	1.2
109.02974	4.5
113.02496	1.1
119.39420	0.9
121.02963	11.5
122.03756	15.5
123.04593	5.3
125.02439	3.0
131.03511	1.9
133.02940	2.4
136.01674	2.4
137.02443	8.3
149.02452	26.9
149.04449	1.3
150.03242	99.6
151.03772	3.8
163.04048	1.9
164.01137	1.8
164.04807	5.4
165.01949	17.3
165.05586	100.0
166.06357	17.0
169.43980	1.1
179.03517	7.5
180.04318	12.9
181.05138	4.6
181.08682	7.9
193.05083	1.3
194.05760	1.5
195.06639	99.4
196.07109	6.3
203.07166	2.9
205.05092	1.9
210.05264	1.3
211.09717	3.2
225.07649	6.2
236.98932	1.1
247.06041	1.4
249.14970	8.9
258.08630	1.3
281.35101	1.1
283.09845	1.9
289.14484	2.3
301.10788	2.3
311.09323	2.7
313.14383	2.0
326.11829	1.8
329.10339	10.7
341.14133	5.6
343.11942	5.5
344.12656	7.9
345.13043	1.3
359.15042	34.3
359.19550	1.6
360.15384	2.8
373.12897	2.8
397.20108	1.1
407.17123	2.3
419.50562	1.0
421.14926	1.0
423.13901	1.1
441.13605	1.8
441.19235	25.4
442.19449	2.9
466.77481	1.0
555.22363	5.2
603.24744	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68311	3.2
57.03460	4.8
57.23004	2.7
59.01385	22.9
61.98822	9.1
63.58236	2.8
64.94773	2.5
71.01384	4.2
71.30893	4.8
72.99312	100.0
73.02937	8.5
85.02960	3.7
87.00907	3.6
92.97491	3.7
93.03442	3.2
95.05029	5.4
97.02978	9.1
109.02939	4.7
109.06637	6.3
119.05008	5.3
121.06592	3.5
122.03703	4.2
123.04555	3.5
132.30205	3.0
137.02539	3.1
137.06085	29.9
138.06393	3.8
139.07683	3.7
149.06065	4.9
161.06204	3.2
161.60742	2.8
165.05672	3.4
165.09219	5.4
173.13432	3.0
175.07663	3.8
191.10767	5.8
201.12834	5.4
245.11928	4.3
279.08337	3.2
297.09842	7.1
433.20160	7.4
451.21310	11.5
463.21307	3.6
469.22253	18.7
477.19260	6.4
481.22302	5.2
499.23529	6.9
507.20300	5.0
525.21283	14.1
539.19342	8.9
543.22076	36.8
557.19952	8.8
560.21948	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88850	1.1
57.03449	2.3
57.71072	1.1
58.00587	1.3
59.01384	40.2
60.47263	1.0
61.98833	49.5
69.02960	8.7
69.03420	4.6
71.01387	19.2
72.99306	2.2
73.02943	3.1
75.00888	5.1
81.03451	1.4
82.95417	12.3
83.01374	1.9
83.05023	1.6
84.02178	1.1
85.02952	3.9
87.00871	1.9
88.78352	1.0
88.98813	3.0
89.02452	27.4
91.21748	1.1
97.02975	1.8
99.00881	1.3
99.04529	1.3
101.02456	9.9
113.02430	4.5
119.03507	1.4
123.08199	1.3
125.02473	10.1
125.09686	1.3
131.03502	12.5
131.07327	1.3
135.11795	3.7
137.09706	1.4
139.07628	2.9
143.03525	1.1
149.04552	16.0
149.09711	1.8
151.11288	1.1
157.08716	10.9
173.34818	1.2
179.10773	3.5
179.97095	1.1
191.05573	7.0
203.14432	1.5
205.16013	1.0
209.11836	7.8
249.14966	100.0
250.15237	8.2
253.09268	1.3
263.09991	1.4
283.61102	1.1
293.08893	7.1
347.58829	1.0
356.35400	1.1
463.10327	1.4
525.24713	1.4
543.25067	7.5
544.25281	1.3
596.78027	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2814
Annotation	CHEBI:70546
Peak:m/z	Relative Intensity
57.03456	0.8
59.01384	100.0
60.01723	0.8
61.98836	27.4
69.47900	1.6
69.48307	3.9
71.01403	2.1
72.99352	1.2
73.02962	0.8
75.00866	1.0
83.05067	0.9
84.75848	0.7
85.02960	0.9
88.98828	1.2
89.02473	0.9
92.97482	7.1
97.06622	1.5
98.21821	1.4
101.02481	1.0
113.02470	1.1
121.02988	1.5
123.04571	1.4
123.08214	1.5
123.20853	0.7
131.03554	0.8
133.06653	0.8
134.66196	0.8
137.06122	1.1
138.05177	0.7
139.07675	6.4
169.10310	0.9
171.10417	1.1
187.11427	0.9
195.00331	0.7
195.12004	0.8
209.11801	1.0
209.13588	1.3
249.15106	1.4
287.41602	0.8
350.25986	0.8
405.20758	1.1
423.21863	1.0
436.31467	0.8
441.23035	1.4
449.19818	2.0
463.25183	1.5
467.21078	0.9
481.26404	1.9
485.22034	4.0
499.27008	10.5
543.26044	34.9
544.25964	3.4
603.28027	12.9
604.28564	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.8
59.01384	100.0
60.01723	0.8
61.98836	27.4
69.47900	1.6
69.48307	3.9
71.01403	2.1
72.99352	1.2
73.02962	0.8
75.00866	1.0
83.05067	0.9
84.75848	0.7
85.02960	0.9
88.98828	1.2
89.02473	0.9
92.97482	7.1
97.06622	1.5
98.21821	1.4
101.02481	1.0
113.02470	1.1
121.02988	1.5
123.04571	1.4
123.08214	1.5
123.20853	0.7
131.03554	0.8
133.06653	0.8
134.66196	0.8
137.06122	1.1
138.05177	0.7
139.07675	6.4
169.10310	0.9
171.10417	1.1
187.11427	0.9
195.00331	0.7
195.12004	0.8
209.11801	1.0
209.13588	1.3
249.15106	1.4
287.41602	0.8
350.25986	0.8
405.20758	1.1
423.21863	1.0
436.31467	0.8
441.23035	1.4
449.19818	2.0
463.25183	1.5
467.21078	0.9
481.26404	1.9
485.22034	4.0
499.27008	10.5
543.26044	34.9
544.25964	3.4
603.28027	12.9
604.28564	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.9
59.01384	100.0
61.98838	49.9
67.41838	1.9
69.03461	3.5
70.56218	2.8
70.56553	2.5
71.01397	8.4
72.99302	5.3
73.02943	2.3
75.00886	12.3
81.03466	2.3
83.01387	2.2
85.02959	25.4
87.00890	10.8
88.98811	3.6
89.02448	6.0
95.05042	2.5
97.02969	5.8
97.06602	3.9
99.04531	3.2
101.02430	3.8
105.88988	1.7
107.04965	1.7
109.02981	4.5
111.04517	2.0
111.08190	2.0
113.02505	1.6
123.08175	3.2
125.02473	5.7
125.06095	2.6
131.03520	4.2
137.02480	4.9
139.07690	1.9
149.04588	4.3
151.04042	3.1
152.01172	10.5
157.08716	2.0
164.04793	2.1
165.05576	4.8
167.03516	16.1
185.13394	2.2
191.05576	3.9
209.11926	3.8
234.01682	1.7
241.15919	4.2
249.15038	11.2
258.89044	1.8
283.17023	7.5
303.21378	1.8
321.22134	3.0
327.15878	2.6
363.23441	2.1
390.16885	5.7
403.17465	2.4
405.19211	49.0
406.19525	5.1
469.25928	5.8
485.63177	1.8
513.24664	5.5
525.24957	2.2
543.25970	23.1
571.75989	2.0
603.23724	2.4
603.31366	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.9
57.18401	1.9
57.47174	1.6
58.00574	1.9
59.01384	76.7
61.98833	70.7
67.71576	1.6
69.27872	15.1
71.01384	23.8
72.99289	3.4
73.02944	6.1
83.01395	3.1
83.05038	3.9
85.02954	11.8
87.00889	6.2
88.98831	3.1
89.02438	11.4
96.95998	2.8
97.02954	3.4
97.61058	1.7
99.00899	6.1
99.04524	3.4
101.02451	16.0
105.07092	3.6
105.74326	1.7
107.05016	1.9
108.02168	2.9
109.02968	3.5
109.06602	3.3
111.08176	4.7
113.02470	9.0
117.56625	1.6
119.03522	4.0
121.02944	1.9
121.06633	2.6
122.03746	3.0
123.04549	4.1
123.08184	4.3
125.02455	6.0
131.03481	6.3
133.10239	2.1
135.04533	2.7
135.08170	2.8
137.02441	9.2
137.06081	4.2
137.09740	3.9
139.07680	5.4
149.04526	3.8
149.09677	1.9
150.03207	2.7
150.06543	1.9
151.03996	1.9
151.07658	3.7
161.04556	3.5
163.11279	2.7
165.01971	11.9
173.04517	2.9
179.03496	2.7
181.01492	2.7
191.05591	5.6
191.07156	2.8
193.12386	3.4
194.40115	1.7
196.03770	2.9
209.11806	5.3
211.06119	2.6
215.10884	2.1
231.13922	2.0
233.08287	1.7
238.30832	1.8
240.86104	1.7
249.14944	39.0
250.15137	1.8
293.08859	3.0
327.16162	1.8
356.20670	1.9
407.26086	2.7
423.18378	2.0
433.39401	1.8
441.19141	20.0
451.25446	2.2
481.25922	2.4
499.27097	6.6
513.25165	4.1
525.24969	4.1
527.06989	1.9
543.26062	100.0
544.26404	10.7
561.29321	9.4
603.24268	16.6
621.32080	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
59.01385	100.0
60.01705	1.4
61.98836	18.6
71.01397	9.5
72.08389	0.8
72.99319	1.2
73.02946	2.4
75.00887	1.3
83.05025	1.0
85.02956	2.6
89.02465	5.6
93.03445	1.7
93.98199	0.9
96.96002	1.4
97.02931	1.4
99.00903	2.7
99.04539	1.2
101.02435	1.7
105.07121	1.1
109.02953	2.9
109.06624	1.5
111.08184	1.2
113.02475	1.3
121.03018	1.3
123.04497	1.4
123.08195	1.9
125.02456	2.8
128.88153	0.8
131.03514	3.9
135.04576	1.3
135.08159	1.6
137.02444	2.9
137.06105	2.1
137.09708	2.3
139.07690	2.2
149.04568	2.1
165.01926	1.5
173.04556	1.4
179.03548	0.9
185.11804	1.3
191.05708	4.3
191.07149	1.1
198.43323	0.9
201.42857	0.9
209.11896	1.0
227.03619	1.6
227.14401	1.2
249.14978	37.4
250.15257	2.2
255.02908	1.6
283.02457	1.0
284.03293	1.2
285.04080	6.6
288.06400	1.1
293.08820	3.4
313.03665	1.0
339.15970	1.0
391.69495	0.9
401.25201	1.1
441.12766	2.4
441.19125	3.4
457.70108	0.9
466.68604	1.1
476.58557	1.0
499.26965	3.6
525.24774	1.5
543.26031	66.5
544.26355	7.0
603.24738	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20803	1.3
55.01874	2.5
55.93170	1.1
57.03447	2.8
58.00594	1.6
59.01381	65.2
59.13564	1.2
61.98835	20.3
69.31776	10.3
71.01384	35.9
71.05038	1.2
71.64767	1.2
72.99311	4.1
73.02956	7.8
75.00860	2.0
83.01386	4.2
85.02950	9.8
87.00863	2.8
88.98820	3.7
89.02451	39.5
99.00880	10.6
99.04516	2.1
101.02453	27.0
113.02493	5.7
115.04025	21.2
119.03507	1.7
123.04538	1.5
125.02454	3.8
129.01964	5.5
131.03511	77.3
132.03925	1.2
149.04570	24.7
151.07684	1.5
165.01932	1.3
165.54056	1.2
175.14972	3.0
191.05624	40.9
191.07352	2.4
198.70140	1.4
205.15976	3.2
209.11963	1.8
221.06689	1.5
229.19734	3.1
231.13986	2.7
249.14954	58.5
250.15288	3.7
251.07677	1.8
259.44876	1.6
273.18677	3.0
291.19666	20.7
292.20203	1.7
293.08804	1.7
344.98453	1.3
451.24854	1.8
543.25653	11.8
603.30341	100.0
604.30829	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59084	8.4
59.02514	9.3
60.99314	14.9
68.16380	9.6
71.30106	13.9
85.00441	11.8
87.00890	16.5
88.28407	8.9
88.98804	71.9
89.02457	100.0
99.04507	16.4
99.92599	26.0
100.08504	9.1
115.92085	44.1
116.92107	23.7
117.91933	16.5
121.03003	47.8
140.37955	10.3
148.91017	14.1
181.61757	9.6
193.19067	10.1
200.94148	9.3
502.32730	26.7
509.18997	9.9
603.19147	12.0
604.19641	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.303
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99299	17.9
61.18168	4.2
65.07689	4.2
69.64286	8.8
69.64690	17.5
74.34543	4.1
78.95905	10.0
87.00874	9.6
88.00413	9.2
88.13175	3.8
88.98813	100.0
89.02451	99.0
91.24186	4.1
96.95995	5.4
121.02955	6.7
130.40192	4.1
134.23660	5.0
138.74348	3.8
148.90982	6.3
152.99622	4.5
171.10379	5.9
218.69705	4.3
228.45596	4.3
324.97736	10.1
342.99216	4.8
379.46790	4.1
480.13559	4.3
568.25531	4.9
603.20447	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91513	1.0
59.01381	100.0
61.98834	34.9
69.24994	2.4
69.25393	7.0
71.01386	1.8
73.50418	1.3
75.00882	3.3
83.25628	1.1
85.02976	1.2
88.98808	1.5
89.02460	1.6
94.13507	1.2
100.97559	1.1
103.01504	73.4
114.33274	1.3
115.99488	1.1
126.77954	1.3
134.92274	1.3
149.42328	1.3
150.03159	1.3
161.64067	1.2
197.96288	1.2
209.11821	3.0
253.09215	1.4
264.20914	1.2
307.19174	4.1
366.41833	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74162	0.6
61.98834	100.0
69.03105	2.2
69.03523	2.3
72.51532	0.5
72.99303	0.8
75.63186	0.5
82.47670	0.5
83.83551	0.6
85.87937	0.4
215.93349	0.5
289.79550	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59192	0.1
61.98834	100.0
69.00323	1.6
76.08386	0.1
93.84313	0.1
98.22672	0.3
98.93838	0.1
116.35191	0.1
119.18571	0.1
163.77895	0.1
186.98022	0.2
317.43454	0.2
346.25232	0.2
523.99945	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99921	0.6
60.36899	0.6
61.98835	100.0
63.77976	0.7
67.16918	0.6
69.96486	3.0
121.55249	0.7
125.02451	0.8
158.07713	0.7
196.04576	0.7
278.31094	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42648	0.2
59.01376	0.2
61.98833	100.0
68.98733	0.9
68.99147	0.6
158.84546	0.2
178.76498	0.2
192.06000	0.1
348.13080	0.2
385.29742	0.1
512.94891	0.2
604.20831	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.1
61.98834	100.0
65.83010	0.1
69.02249	1.7
70.63389	0.1
71.01393	0.5
72.99319	0.2
75.00888	0.4
82.95424	0.2
85.02956	0.3
87.00877	0.3
87.88424	0.1
88.98813	0.3
89.02451	0.9
98.21759	0.4
99.04549	0.2
101.02463	0.3
113.02528	0.2
125.02470	0.3
131.03552	0.2
131.55113	0.2
149.04552	0.3
157.08801	0.2
184.34894	0.1
209.11975	0.2
232.01466	0.2
249.14954	0.9
250.15341	0.8
251.16624	0.3
318.78168	0.2
352.56357	0.2
413.25760	0.3
545.26709	0.2
549.82562	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.9
61.98833	100.0
69.02202	1.4
69.02621	0.8
71.01374	0.5
82.95432	1.1
84.95154	0.3
88.98818	0.2
89.02449	0.4
89.55867	0.2
101.02459	0.2
139.07706	0.4
151.99637	0.2
183.06638	0.4
249.15192	0.2
251.16617	0.2
519.32263	0.4
544.26721	0.6
604.30219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51072	0.5
59.01376	1.5
65.72821	0.5
71.01392	1.0
77.80733	0.5
79.95737	4.3
80.96517	0.8
89.02464	0.8
94.98112	0.6
95.95200	0.8
96.96012	22.4
101.02464	0.8
108.02181	36.4
110.97594	0.6
113.29688	0.5
122.97591	4.8
123.04538	15.0
125.02449	2.9
130.28905	0.5
137.02449	1.7
149.02423	0.9
151.04030	0.9
152.01164	76.1
153.01547	2.1
162.03214	1.5
165.05563	1.1
167.03511	100.0
168.03845	3.3
168.88327	0.5
175.03999	0.5
177.01921	1.4
177.05580	1.5
193.45027	0.5
201.79182	0.5
217.56456	0.5
235.06335	0.5
255.02808	0.8
275.02255	1.4
283.02695	0.6
289.07257	2.0
432.41000	0.5
437.07584	16.6
438.07806	0.9
605.11792	43.1
605.23962	2.5
606.12103	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36280	0.3
59.01384	6.5
59.85857	0.3
60.01710	0.5
61.98836	4.8
63.02405	0.3
65.00325	0.7
65.66717	0.3
71.31944	0.4
73.02950	0.6
83.01363	0.6
85.02932	0.6
89.02447	1.9
93.03462	0.4
100.02989	0.3
101.02423	0.8
107.01409	1.6
113.02451	0.6
125.02361	0.3
128.33336	0.4
130.04243	0.3
131.03510	1.2
132.02142	1.5
135.00894	1.4
139.07668	0.4
149.04543	1.2
150.73839	0.3
151.00398	2.5
152.01161	0.3
163.00348	1.0
164.01129	0.6
173.04581	0.5
175.40112	0.3
178.99846	2.7
180.78632	0.3
183.04552	1.0
185.75487	0.3
187.04030	0.5
191.05605	0.5
198.19177	0.3
199.04019	0.7
200.04755	0.3
211.03996	1.7
212.04578	0.4
227.03516	38.0
228.03873	2.2
229.05045	1.6
239.03476	0.7
240.04448	0.4
249.15115	0.4
251.16557	4.0
255.03006	74.6
256.03571	7.5
257.04523	1.2
283.02231	0.5
284.03281	100.0
285.03900	12.3
286.04446	0.6
300.02817	0.9
315.05066	1.0
334.51611	0.3
413.21680	0.6
441.08307	1.3
544.26361	1.0
545.26263	2.0
605.15155	60.3
606.15509	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75372	0.6
59.01386	0.7
60.24237	0.7
61.98821	0.8
68.99817	1.0
69.06924	5.1
99.04529	29.3
99.92603	0.9
100.04906	0.8
116.92882	1.9
121.02966	17.1
122.03262	1.2
137.77534	0.7
143.13678	0.9
174.98351	0.7
208.05614	0.7
209.06012	0.9
213.05606	2.1
226.06506	1.0
237.05669	0.8
238.06276	0.9
239.03613	1.2
239.06940	1.2
241.05138	2.6
251.07173	1.1
253.05099	1.2
254.05861	2.4
255.06606	1.8
264.04272	2.8
265.05148	5.8
266.05447	0.7
267.06570	1.8
269.08154	1.1
279.06534	1.8
281.04828	1.1
281.08179	1.5
282.05383	2.1
283.06149	2.0
293.04510	4.4
295.06174	1.8
296.06982	1.9
297.07617	5.6
298.07947	0.8
307.06195	2.5
308.06842	1.9
309.04382	1.1
309.07733	2.0
310.04800	2.5
311.05652	2.4
323.05496	0.9
325.07208	24.7
325.11023	1.3
326.07629	2.1
335.05673	1.2
336.06192	0.8
337.07300	1.1
338.08057	1.0
339.08682	1.3
340.09641	1.2
351.08557	0.8
353.06668	21.4
354.07172	2.2
361.99521	0.7
367.08087	1.0
368.09052	9.6
369.09393	1.0
383.11404	100.0
384.11749	9.8
483.16541	2.0
505.15167	8.1
506.15286	1.3
567.33044	1.3
605.20020	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58451	1.0
55.06681	0.8
59.01374	4.0
60.93927	0.9
61.59578	0.8
61.98835	35.0
72.99331	6.1
75.00858	0.9
78.28120	1.0
87.00895	1.4
88.98843	1.1
93.03448	1.2
96.96017	1.3
98.21795	2.1
99.04526	8.1
103.01520	1.1
121.02964	100.0
122.03297	1.8
125.02518	1.0
127.73494	0.8
145.06535	1.0
165.05519	0.9
165.83022	0.9
173.04840	0.9
173.06075	6.0
201.05576	13.0
211.13162	1.0
237.05557	1.1
252.04398	1.8
265.04819	1.3
280.03741	4.5
281.04639	1.0
295.06021	11.2
296.06894	2.4
310.04822	1.2
310.08560	2.7
311.08994	1.7
324.93048	1.0
325.07181	1.9
338.07858	2.0
353.06506	1.6
353.10306	16.4
354.10602	2.1
383.11438	11.9
598.96289	1.3
605.30579	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.3
68.99812	0.4
77.29974	0.4
91.70524	0.4
92.34914	0.4
98.21788	1.1
99.04529	12.9
107.20219	0.4
121.02967	37.3
122.03317	0.5
181.04950	0.5
195.08014	0.4
199.20386	0.4
207.01132	0.4
209.06084	0.5
211.07556	0.5
211.75220	0.4
213.05530	1.3
223.07552	0.4
225.05594	1.1
226.06363	0.6
227.07214	0.5
235.04117	0.8
236.04796	0.4
237.05569	1.7
238.06360	1.1
239.03419	0.7
239.07144	1.4
240.04285	0.9
241.01494	0.5
241.05034	1.4
250.06369	0.4
251.07103	1.4
253.05128	0.7
253.08667	0.8
254.05847	2.4
255.02934	0.7
255.06544	1.6
263.07150	0.8
264.04294	5.2
265.05093	9.1
265.08017	0.3
266.05710	0.9
267.03040	0.5
267.06656	2.1
268.03949	0.4
268.07401	0.9
269.00925	1.3
269.04510	1.5
269.08179	1.2
277.05011	0.5
279.06680	3.2
280.03815	1.8
280.06778	0.7
281.04544	1.4
281.08209	1.4
282.05490	2.7
282.08417	0.6
283.06152	1.7
285.04111	0.6
287.01520	0.4
292.03729	0.7
293.04572	6.7
293.07742	0.7
294.05161	1.0
294.08649	0.5
295.06140	2.3
296.03677	0.4
296.06573	1.8
297.04239	0.7
297.07654	5.5
299.05417	0.7
307.06247	2.2
308.03607	0.7
308.06747	2.4
309.04120	0.8
309.07684	3.4
310.04782	2.5
310.08386	1.1
311.05731	2.3
311.08957	0.7
312.06647	0.4
321.03964	0.8
323.05893	0.8
323.09174	0.5
324.06406	1.4
325.07190	18.7
325.11087	1.0
326.07730	1.7
327.08588	0.6
335.05679	1.4
336.06351	1.6
337.07144	3.4
338.07986	1.5
339.08774	2.0
340.09528	1.2
351.08682	1.4
353.06662	19.0
354.06848	1.7
367.08270	1.3
368.08994	7.6
369.09390	0.6
383.11392	100.0
384.11734	7.6
483.16644	23.7
484.17093	2.2
505.14902	1.0
605.20374	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	4.3
59.01094	4.9
59.01380	77.2
61.98835	16.5
69.06959	9.3
69.07381	16.2
71.01382	58.1
72.99308	4.7
73.02937	16.4
84.67479	2.7
85.02946	9.4
87.00878	4.7
89.02451	99.3
96.96000	4.3
99.00886	33.6
99.04522	3.6
101.02456	38.9
104.53688	2.7
105.92783	2.5
113.02437	12.5
119.03484	5.3
125.02470	9.9
129.01929	3.5
131.03519	70.7
143.10785	43.8
149.04576	100.0
150.03194	4.9
153.51773	2.9
157.12343	3.5
161.04578	7.4
165.05531	3.5
167.10803	5.2
173.04659	5.4
185.11815	13.3
191.05635	59.9
213.53203	3.1
215.12845	19.6
215.44450	3.1
221.04704	2.8
221.06653	5.9
227.65303	2.6
233.06714	23.4
251.07758	4.9
251.16605	11.0
255.03023	5.6
271.02472	8.6
275.07742	4.8
275.15012	14.6
285.04184	3.6
293.08847	24.0
299.01846	4.9
300.02676	13.9
314.04547	3.0
315.04990	17.8
392.80746	2.9
413.21841	14.0
425.13113	19.3
431.13345	4.1
439.36160	3.0
443.14124	7.1
545.26050	10.8
559.25281	3.8
573.13495	4.5
605.22235	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	18.7
59.01376	6.3
61.98837	32.3
68.27569	1.3
69.34628	2.4
69.35036	7.2
71.05039	1.8
72.99313	6.5
73.02950	16.0
74.58202	1.6
81.03503	1.3
85.02967	1.6
93.07128	1.4
97.02967	1.8
101.02462	4.7
107.05067	1.9
109.03013	1.7
109.06586	10.5
113.02503	1.9
113.06125	3.3
121.06616	11.1
122.03757	2.4
123.04520	2.4
123.08207	5.0
125.06119	3.9
133.06607	2.0
135.04570	4.0
135.08174	3.5
136.05327	3.9
137.06110	10.5
145.10278	1.8
147.08173	5.2
149.06085	4.7
151.07668	10.9
156.96201	1.3
160.05345	2.2
161.06079	6.5
161.09718	6.9
163.07668	3.1
163.11342	10.3
165.05568	1.8
165.09229	2.1
166.06386	2.0
167.07095	2.0
173.09740	3.3
174.06905	3.1
175.07637	3.4
175.11275	4.5
178.06311	2.8
179.07153	19.7
187.11314	4.5
189.09238	12.2
189.12909	2.1
191.07140	5.5
191.10779	6.0
192.11176	1.9
201.09276	3.8
203.07115	1.9
203.10818	1.7
205.08751	3.8
207.10326	10.4
215.10806	9.4
217.08704	4.9
217.12393	1.4
218.09515	2.2
219.10257	10.4
224.52469	1.4
227.10744	2.3
229.12396	3.8
231.10191	1.8
236.10655	2.5
237.11259	3.8
249.07828	1.5
252.09720	1.7
267.17627	1.9
280.09387	6.8
281.10333	15.3
293.15466	4.0
307.11865	4.0
321.15073	2.1
323.16486	1.4
333.18671	2.9
335.16489	3.3
337.18182	2.8
351.19669	4.4
353.17752	2.5
363.15936	2.4
368.55750	1.4
375.19675	2.2
377.17676	8.2
379.15289	7.1
383.14868	1.6
391.22971	4.8
393.20407	1.9
395.18869	3.3
397.16162	2.4
409.24161	3.1
413.19589	3.2
417.20813	6.6
419.18723	4.0
421.16739	4.4
423.18246	1.9
435.21771	4.8
437.19934	2.9
441.19931	1.7
451.89932	1.6
453.22852	15.6
455.20648	5.5
461.19736	2.4
471.23749	4.9
479.20810	26.9
480.21127	3.3
481.18552	9.3
497.21860	41.3
498.22446	5.1
499.12473	2.4
499.19775	55.0
500.20078	4.6
515.22894	55.6
516.23126	5.4
517.20734	13.9
518.22101	1.4
523.19611	6.0
541.20892	11.2
545.28448	3.0
559.21863	100.0
560.22137	13.1
562.22809	1.6
605.22552	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77601	0.9
61.98819	1.4
71.30632	1.1
78.95898	2.1
96.96021	6.4
99.04530	70.2
100.04864	2.0
116.92849	0.9
120.89665	0.9
121.02969	100.0
122.03306	3.4
134.60831	0.9
137.67494	0.8
164.52542	0.9
189.60062	0.9
222.13861	0.9
251.07175	1.5
267.06683	4.2
279.06570	4.7
280.06671	0.9
282.08969	2.0
287.05597	1.5
294.08957	2.5
295.06183	5.1
295.09042	1.1
297.11346	2.4
307.06174	4.4
309.11313	2.2
310.08432	1.3
321.07562	2.6
322.08542	4.7
323.05637	8.3
325.10837	5.2
336.09976	1.3
337.10941	9.7
338.07916	3.7
338.11502	1.1
352.12866	1.9
353.10303	25.7
354.10501	2.0
368.12552	12.2
369.12961	2.3
371.11420	1.1
383.15027	57.1
384.15515	6.1
384.19824	1.4
401.15909	2.1
423.10950	2.4
453.15427	3.9
468.18011	2.1
483.20377	4.4
505.18668	1.6
507.31058	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09921	0.8
53.20365	1.0
57.18152	0.9
61.98833	1.0
64.72792	0.9
71.29986	1.3
73.44518	0.9
91.04272	0.9
104.64821	1.0
116.92888	1.3
118.90028	1.1
171.67920	0.9
415.15543	1.0
429.17395	1.4
430.17810	1.1
443.18817	0.9
457.20493	1.9
459.18295	3.4
473.19763	4.3
485.19812	2.7
486.20724	3.1
499.18097	2.5
501.23575	1.6
511.21411	2.4
513.19238	3.2
514.19995	7.2
518.19556	1.8
529.22504	100.0
530.22888	15.8
532.21222	2.2
533.21875	2.1
573.21381	1.3
605.23688	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66157	1.8
57.03439	2.2
57.17498	1.5
59.01384	88.8
61.98835	100.0
64.46530	1.5
67.53432	1.5
69.03454	4.3
69.06068	13.1
69.06473	3.7
71.01382	11.3
72.99309	40.4
73.02924	3.9
75.00874	9.6
78.91904	12.9
78.95936	2.0
79.95737	5.4
81.03447	2.0
84.95145	3.7
85.02976	3.6
87.00898	2.8
88.98811	4.0
89.02456	7.6
96.96014	5.6
97.02960	18.2
98.22272	8.0
100.97851	1.7
101.02458	5.5
111.00911	1.8
113.02453	2.7
115.68393	1.6
120.03696	1.7
121.06600	2.0
123.08163	1.9
131.03494	5.3
137.06050	3.7
147.08136	2.9
151.84335	1.6
191.05641	7.5
209.11890	2.1
209.66101	1.6
248.42337	2.0
251.16562	5.1
270.54770	2.0
276.46924	1.9
334.13373	2.1
383.24356	4.3
391.22748	9.3
401.20212	3.0
419.21021	2.8
429.19107	4.0
453.22833	11.5
517.24335	12.0
527.23010	19.8
528.23108	4.0
545.23828	59.1
546.24591	5.9
546.45142	1.8
547.32764	2.2
559.22015	12.0
605.22418	2.1
605.32703	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.261
Annotation	CHEBI:66777
Peak:m/z	Relative Intensity
57.03441	2.7
59.01097	1.1
59.01384	22.9
61.98835	45.6
62.43054	0.7
64.22812	0.7
67.01884	1.2
69.03037	7.2
69.03450	24.0
71.01373	2.0
72.99331	5.0
73.02962	0.8
75.00874	16.2
83.05006	1.2
85.02959	5.9
87.00887	1.6
93.07101	0.8
94.98077	1.3
95.05023	2.0
95.23409	0.6
97.02959	100.0
97.06602	1.4
98.03275	2.3
98.22424	2.3
99.04539	0.9
107.05019	0.8
109.02948	0.8
109.06636	0.7
111.08231	0.8
121.06541	1.0
122.03734	1.1
123.04551	1.6
123.08205	0.8
135.08192	0.8
137.06099	10.8
138.32460	0.8
146.37817	0.7
147.08162	0.9
149.06148	1.1
151.07648	2.0
163.07672	0.7
167.74603	0.9
175.07607	1.3
199.11316	0.8
211.11420	0.7
215.10742	0.9
217.12454	0.8
229.12408	1.1
251.10992	1.2
271.16959	0.8
299.16440	1.1
309.14886	1.7
317.04562	0.8
327.16040	5.9
345.17020	2.9
363.18311	2.4
365.17642	0.9
367.19110	1.1
369.17123	1.5
371.18610	0.8
385.20135	2.2
387.18085	2.1
389.19537	0.9
403.21539	1.6
407.18674	2.0
421.22357	2.4
425.19449	2.1
429.19452	0.8
443.20734	3.8
443.26263	0.7
445.22275	5.1
465.22318	1.0
483.23962	1.7
487.23419	1.0
501.24957	2.2
545.23792	5.8
605.26068	66.6
606.26239	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2772
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
52.76438	2.5
60.89405	2.5
65.43945	2.5
70.37964	10.0
78.47280	2.3
94.03631	2.6
106.14830	3.1
162.03888	2.2
167.05615	2.5
337.51685	3.0
430.17978	7.3
434.66983	2.6
445.20340	100.0
446.20450	14.4
459.21753	23.8
460.22598	9.8
504.21725	59.6
505.21790	7.2
518.23236	11.1
519.24036	59.8
520.24426	6.2
605.27612	49.9
606.28027	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
98.21762	37.1
105.96227	13.2
139.18430	12.5
227.77686	14.5
430.17551	23.4
445.20288	100.0
459.21802	37.7
504.21872	37.2
519.24042	58.4
605.27844	68.7
606.28223	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98944	1.1
51.54498	1.1
57.03445	4.5
59.01088	2.0
59.01385	30.6
60.01725	1.2
61.98838	77.1
69.03465	3.6
69.06416	10.9
71.01393	17.2
71.04995	1.1
72.99326	3.5
73.02959	3.3
74.35258	1.3
75.00866	2.5
78.91914	1.3
83.01396	1.8
85.02953	3.5
87.00892	1.8
88.98822	1.9
89.02451	18.9
89.02965	1.5
89.06339	1.3
96.96023	1.4
97.02973	2.1
98.21638	1.6
99.04554	6.7
101.02475	8.2
108.19468	1.2
111.00921	1.1
113.02442	3.6
119.00321	1.1
125.02490	6.0
131.03520	8.2
139.07651	1.7
149.04552	8.9
151.00439	1.8
156.99123	1.9
159.10266	1.5
161.74310	1.3
181.12430	2.8
191.05620	4.6
251.16547	100.0
252.16913	5.0
256.04489	1.3
285.04071	9.7
293.08725	7.1
413.21887	4.5
432.56497	1.4
471.41635	1.3
545.19342	2.3
545.27051	7.2
563.21869	2.0
605.30890	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01104	1.1
57.03440	3.5
58.00597	1.1
59.01382	36.9
61.98838	21.3
69.09738	9.3
71.01386	21.0
71.05018	2.3
72.99294	1.9
73.02926	1.9
85.02962	5.1
88.98822	1.5
89.02450	31.4
96.96023	1.6
97.02956	1.4
99.00856	2.2
101.02449	11.3
111.08189	7.5
113.02458	4.1
113.06132	1.3
114.90534	0.9
119.03519	2.2
125.02466	10.4
131.03506	17.0
132.13614	1.0
137.09735	9.2
143.03514	0.9
147.93671	0.9
149.04572	13.5
150.75607	0.9
159.10291	10.5
161.04578	1.0
191.05618	9.1
191.14537	1.0
209.11848	16.4
210.12268	0.9
227.12943	1.4
251.16537	100.0
252.16844	6.1
253.09340	1.8
293.08801	7.1
331.14969	1.1
415.43948	1.0
531.93628	1.0
537.44208	1.0
545.26251	4.8
622.86639	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59196	0.7
57.03434	2.9
59.01102	1.0
59.01382	15.6
61.98835	8.0
69.03451	3.2
71.01392	8.8
71.05019	1.9
71.31719	1.0
72.99298	2.2
73.02952	0.8
74.96731	0.6
75.00895	0.7
78.55272	0.6
85.02959	1.8
89.02452	7.1
97.02952	1.8
99.00879	1.0
99.04536	7.7
101.02451	3.4
109.65111	0.7
113.02451	1.4
122.03703	0.8
125.02435	2.8
131.03505	4.2
132.68810	0.6
137.02467	0.8
137.06116	4.1
139.11316	1.1
149.04556	3.6
165.13547	0.7
191.05533	3.2
207.17551	0.8
251.16537	100.0
252.16866	6.9
293.08853	3.0
391.15201	0.7
413.21918	2.8
421.15131	2.2
467.21570	0.9
470.67249	0.7
479.20889	0.8
497.21985	0.8
506.46426	0.7
523.20367	0.7
545.25049	2.2
559.21912	2.2
605.32135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51318	0.9
55.95443	1.1
57.03448	1.8
57.38081	0.9
59.01383	100.0
61.98832	56.4
62.27262	1.1
66.64655	1.0
69.03455	1.4
69.62498	6.1
71.01385	5.4
72.99305	4.0
73.02943	1.5
75.00877	8.4
83.05021	1.7
85.02955	14.0
87.00875	10.1
89.02428	6.2
96.96006	1.4
97.06570	1.8
98.22499	1.8
101.02451	2.9
123.08131	2.2
125.09719	4.5
126.92677	1.0
131.03493	4.7
137.09752	4.3
139.07658	55.2
140.08095	1.5
149.04521	3.7
167.18520	1.1
191.05606	1.1
207.17566	10.0
219.10396	1.3
249.14973	1.5
250.15401	1.8
251.16524	14.0
252.16917	1.2
293.09052	1.4
297.18475	2.0
301.13440	1.2
315.19629	1.5
359.18539	3.0
405.19232	2.6
501.28476	4.6
545.27582	15.3
546.27222	1.1
605.31476	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74452	1.5
64.58606	1.8
71.30605	2.2
71.30959	1.6
73.98403	1.6
78.95911	3.6
82.58369	1.5
95.53634	1.7
103.43488	1.7
105.03462	6.8
105.23968	1.4
116.78151	1.7
132.02194	3.4
133.02979	26.6
134.03709	5.6
135.04559	2.2
137.02544	1.9
148.05290	2.7
160.01683	17.0
161.02412	12.3
170.73730	1.6
171.15930	1.4
175.04010	41.7
177.02084	1.9
178.02655	2.2
193.05116	2.5
255.23410	2.4
317.17789	2.2
355.32349	5.8
429.30109	3.3
432.18042	1.9
445.37442	1.7
499.34424	5.3
513.35974	11.9
517.35657	2.5
531.36865	26.3
532.37128	2.6
590.38574	3.0
605.40698	100.0
606.40930	12.6
617.22656	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
69.00652	0.4
69.01055	1.7
103.72479	0.2
122.31581	0.2
142.62907	0.2
377.40851	0.2
385.12454	0.2
523.56207	0.2
547.83093	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37796	0.2
58.83788	0.2
61.98835	100.0
64.74658	0.2
69.59708	1.0
371.08072	0.3
436.38605	0.3
449.09396	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
71.31017	0.5
77.43951	0.3
93.75263	0.3
154.70645	0.3
180.94810	0.3
334.76898	0.3
414.56943	0.4
512.78741	0.5
543.22266	4.2
544.22968	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
59.98986	0.3
61.98835	100.0
69.06344	1.4
69.06767	0.9
69.40149	0.3
71.01399	0.4
72.99321	0.3
80.96542	0.7
84.99291	0.3
87.00899	0.6
94.98109	0.3
112.69559	0.3
121.02930	0.4
134.03909	0.3
337.25833	0.3
355.46008	0.3
519.26617	0.8
543.22516	0.4
547.25647	0.6
552.14001	0.3
574.47729	0.3
576.79236	0.3
607.25189	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.22
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92778	0.4
61.98834	100.0
69.47412	1.7
126.83506	0.4
217.16968	0.4
300.74692	0.4
300.86960	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85332	0.4
59.01395	0.7
61.98835	100.0
65.60122	0.4
71.01396	0.5
73.02945	0.4
74.72739	0.4
83.05028	0.6
97.03001	0.7
131.03603	0.4
133.13971	0.4
141.11812	0.4
153.68909	0.4
163.11275	0.5
251.16690	0.6
336.62946	0.4
348.97534	0.4
419.49915	0.5
541.41553	0.5
545.20667	0.4
547.25592	0.8
559.22205	1.4
560.22144	3.4
563.21454	5.0
564.22559	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
60.23157	0.2
61.98833	100.0
66.10641	0.1
71.01385	0.2
72.99343	0.2
75.00903	0.2
78.95919	1.2
79.95741	0.2
89.02444	0.8
94.98122	0.8
95.97663	0.2
96.00912	0.3
96.96017	7.0
96.96938	1.4
107.07564	0.2
121.67582	0.2
141.44089	0.2
169.24785	0.2
235.12309	0.2
252.16754	0.2
264.37589	0.2
301.38474	0.2
431.26535	0.2
469.96494	0.2
557.99664	0.2
564.96289	0.2
606.33179	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47757	0.1
59.01374	0.3
61.98835	100.0
68.99583	0.7
69.04501	1.9
74.12394	0.1
75.00877	0.2
87.15759	0.2
99.57413	0.2
112.98586	1.0
125.25177	0.2
147.94621	0.2
150.81284	0.2
170.82295	0.2
342.33298	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
61.98837	100.0
62.98512	0.3
64.58832	0.2
69.14051	1.9
69.14461	0.5
71.01392	0.8
72.99317	0.2
73.02981	0.3
75.00896	0.6
85.02961	0.5
87.00887	0.4
88.98802	0.3
89.02455	0.6
93.03465	0.3
96.96039	0.4
98.26515	0.3
101.02474	0.6
109.02956	0.4
125.02483	0.7
131.03505	0.4
137.02481	0.3
139.07693	0.8
149.04553	0.3
167.03426	0.3
191.05727	0.5
240.17531	0.2
251.16611	0.7
252.16801	1.3
253.18230	1.0
254.32179	0.2
607.24609	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51827	0.2
51.21664	0.2
55.74088	0.2
59.01384	4.5
60.01728	0.5
60.87964	0.2
61.98835	100.0
62.98531	0.2
71.01369	0.6
75.00877	0.6
80.91679	0.3
85.02976	0.7
87.00922	0.3
89.02477	0.4
96.96028	0.5
104.34219	0.2
134.75290	0.3
139.07668	0.5
176.98495	0.3
179.33420	0.2
200.92174	0.2
481.81003	0.3
545.28143	0.3
546.28009	3.6
547.28223	0.5
606.31152	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
60.95493	0.2
61.98835	100.0
66.48325	0.2
69.01063	2.5
78.66178	0.2
78.95922	1.0
81.69913	0.3
87.41804	0.2
112.64208	0.2
133.63792	0.2
152.99648	1.0
183.04651	0.2
239.07057	0.2
241.01288	0.4
270.56360	0.3
291.19852	0.8
311.02243	0.3
315.05081	0.4
390.03928	0.3
444.28683	0.5
541.54395	0.3
552.71655	0.3
607.25201	1.6
612.22797	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01912	1.3
55.78863	1.1
56.74307	1.5
57.03456	5.1
59.01388	6.0
62.50789	1.2
69.03448	2.0
71.01385	7.7
71.29900	2.4
73.02959	4.6
75.00905	1.4
81.03517	1.4
83.01393	4.0
85.02953	5.5
87.00893	2.2
88.98827	5.9
89.02448	2.9
93.03461	12.6
95.05042	1.5
96.96011	2.5
97.02977	5.0
99.39218	1.3
101.02470	4.2
107.05050	1.7
109.02972	4.1
111.04562	3.2
113.02486	3.2
117.03480	16.4
119.05034	27.8
119.05843	2.3
121.02968	1.6
123.04520	2.3
125.01551	1.5
125.02467	30.2
131.03552	2.9
133.03014	1.1
133.06593	2.7
135.04549	1.6
137.02419	5.3
139.04057	4.7
143.05009	1.0
145.02969	100.0
146.03319	3.0
147.04564	1.2
149.02516	1.3
149.04607	1.4
151.03928	1.3
153.01988	1.4
155.03540	1.7
156.05856	3.3
157.06679	3.0
159.04527	2.1
161.02499	5.8
161.04720	1.9
161.06100	4.7
163.04008	17.9
165.01968	2.3
167.96611	1.2
171.04572	2.5
173.04572	6.1
173.06064	3.0
175.04080	2.1
175.07588	1.4
177.01932	2.1
183.03012	5.0
185.06143	4.1
187.03976	1.6
187.07657	5.1
189.31902	1.3
191.05688	6.4
193.06641	1.3
195.08145	1.6
203.07269	1.2
205.05174	1.9
211.07664	1.7
212.08298	1.1
213.05620	2.6
213.09172	3.7
215.07155	4.6
217.05089	1.3
224.75659	1.2
231.10268	8.5
239.07167	1.5
243.03040	2.5
245.08173	1.2
249.07961	2.6
257.05197	1.0
257.08212	5.9
275.09256	13.5
287.05621	5.7
289.07324	1.9
301.03497	1.3
307.08231	27.5
308.08557	1.9
319.08221	27.6
320.08502	1.8
337.09402	3.4
415.23419	3.8
433.11414	76.5
434.11758	7.9
453.08032	1.4
471.09460	3.2
481.13580	4.9
607.16388	24.3
608.16632	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36154	0.2
51.30713	0.2
54.39371	0.2
55.01875	0.3
58.00569	0.3
59.01386	4.9
61.98518	0.3
61.98835	5.7
63.02388	0.7
65.00326	0.3
71.01393	4.3
71.32120	0.2
71.57594	0.2
73.02951	1.1
75.00859	0.3
80.96524	6.8
83.01373	0.7
84.95115	0.3
85.02973	1.8
85.69662	0.3
87.00875	0.3
88.98801	0.7
89.02440	1.9
93.03474	1.7
95.01402	0.3
99.00905	0.4
101.02457	2.5
103.04011	0.2
107.01405	1.6
109.02953	0.6
113.02460	1.4
117.03507	0.6
119.03477	0.2
121.02932	0.3
125.02470	1.2
131.03487	1.1
131.05022	0.3
132.02238	0.2
135.00896	0.9
135.04607	0.2
137.02386	0.5
139.88785	0.2
141.06949	0.2
143.03412	0.3
143.05046	0.8
145.02945	0.6
147.04504	0.2
149.04549	0.8
151.00340	1.5
153.01961	0.5
154.04262	0.3
157.06583	0.9
159.04517	1.1
161.02525	0.3
161.04608	1.5
163.00386	2.0
164.01161	0.6
165.01981	0.6
167.05013	0.7
168.05655	0.3
169.01439	0.4
169.06590	0.9
171.04543	0.9
173.06046	0.4
183.04556	0.7
184.05237	0.3
185.06100	2.4
187.04002	2.6
189.05592	1.0
191.05717	0.5
191.14415	0.3
195.04547	0.5
196.05302	0.2
197.06049	0.9
198.03287	0.3
199.04015	0.8
201.05592	0.6
211.04037	1.9
212.04622	0.3
213.05580	1.7
214.02802	0.4
215.03600	0.3
227.03525	13.9
228.03928	0.8
229.05080	10.0
230.05415	0.5
239.03523	1.3
240.04269	0.7
241.05153	1.2
243.03014	0.4
255.03020	19.8
256.03558	2.5
257.04562	5.0
258.04959	0.3
259.06226	0.4
267.02979	0.8
275.88608	0.2
283.02600	0.6
284.03305	20.6
285.04068	100.0
286.04404	6.4
287.05621	0.4
293.08722	0.3
299.02103	0.3
301.03345	0.4
308.29630	0.3
411.07382	0.4
415.23398	3.9
547.27667	2.4
547.35565	0.3
547.39142	0.3
575.14081	11.8
576.14374	1.3
607.16327	1.0
607.25629	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28432	0.5
59.01376	1.6
61.65038	0.4
61.98830	0.6
63.02391	2.1
65.00316	1.3
69.05699	5.1
71.13607	0.7
76.85669	0.4
78.49131	0.4
83.01404	1.8
89.02462	1.1
93.03478	1.0
95.01460	0.5
101.02448	0.6
107.01418	3.3
132.02177	1.1
133.80237	0.4
135.00966	0.6
138.40009	0.5
138.59901	0.5
143.04967	0.7
149.04552	0.6
151.00394	5.4
152.29062	0.5
159.04582	0.6
161.04527	0.7
163.00377	1.3
164.01143	1.0
169.01447	0.6
169.06691	0.6
178.99854	0.9
185.06096	0.6
187.04007	0.9
199.03983	0.6
211.04022	1.0
213.79425	0.5
227.03511	15.8
228.03972	1.4
229.05028	1.7
239.03584	1.3
255.03009	26.2
256.03604	2.8
257.04608	1.4
260.93127	0.5
283.02448	1.2
284.03278	45.7
285.04056	100.0
286.04407	6.0
415.23376	1.3
547.27661	1.0
575.14111	26.4
576.14435	4.1
607.16626	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1671
Annotation	Rhamnetin 3-rhamnosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
59.01385	8.7
61.98827	8.0
63.24070	0.7
65.00334	1.1
71.01386	7.8
73.02928	1.7
75.00874	6.8
83.01395	1.3
85.02929	2.2
89.02451	4.8
101.02446	6.1
107.01393	1.1
107.35118	0.7
113.02464	3.0
119.03536	1.2
120.02402	0.7
125.02418	1.1
130.96121	0.7
131.03494	2.8
135.20029	0.8
149.04587	2.0
151.00407	4.9
159.03101	0.8
161.04584	2.6
175.04066	0.8
178.99829	1.6
183.04544	1.1
187.04082	1.0
191.05620	1.6
199.04030	5.5
201.01875	1.3
203.03464	0.9
215.03464	3.4
227.03523	6.7
242.02217	4.9
243.02989	27.5
244.03503	1.4
245.00908	0.8
255.02994	12.1
256.03598	1.1
257.04568	4.5
267.16101	0.8
270.01761	6.2
271.02487	69.0
272.02847	4.7
284.03290	1.5
285.04053	10.9
286.04703	2.9
299.01978	91.7
300.02701	46.4
301.03262	3.5
313.03745	0.9
314.04330	62.8
315.05060	27.2
315.08746	1.3
316.05383	1.7
345.19183	2.0
357.06183	1.4
415.23279	7.5
428.07300	0.9
547.27600	5.8
548.27832	1.0
607.16699	100.0
608.16992	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.8
59.01373	2.5
62.33192	0.9
70.93020	1.0
71.01381	3.5
73.02956	3.0
83.01382	1.9
83.05034	1.3
85.02953	2.7
93.03463	12.1
94.31576	0.7
96.63802	0.8
97.02956	3.7
99.04556	1.0
101.02452	2.1
109.02969	2.0
111.04514	2.6
113.02483	1.5
117.03475	14.6
119.05036	28.1
120.05384	1.2
121.02956	1.4
123.04528	0.9
125.02460	30.7
125.06181	0.7
125.51482	0.8
127.47939	0.7
131.05011	1.0
132.05870	1.0
133.06613	2.8
137.02457	2.7
145.02965	100.0
146.03336	3.3
147.04562	1.2
151.04024	1.5
155.03494	0.9
157.06657	1.4
161.02483	7.0
161.04820	0.9
161.06107	6.4
163.04013	22.5
164.01181	1.8
164.04289	1.3
165.01961	1.5
171.08183	1.2
173.04549	4.1
173.05954	1.6
175.04044	3.1
177.02020	1.1
187.03996	2.3
187.07646	1.3
195.08122	0.9
199.04082	1.6
205.05026	3.3
209.09076	1.0
211.07614	1.6
213.09254	2.2
215.07112	1.3
217.05093	1.9
231.10269	3.0
243.03014	4.5
247.06136	1.0
257.08383	1.1
265.07181	1.6
275.09293	3.1
287.05536	6.3
293.10388	1.9
307.08221	19.6
308.08490	1.3
319.08234	4.1
337.09296	9.3
405.06061	2.4
423.07388	1.0
433.11398	48.6
434.11795	6.1
449.08423	1.4
455.10095	0.9
481.13440	5.8
482.14124	0.9
564.33545	0.9
607.16724	69.9
608.17236	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
59.01095	1.9
59.01385	37.4
71.01386	6.0
71.29903	1.4
73.02948	1.7
85.02938	3.6
87.00898	1.6
89.02459	2.6
93.03474	8.2
96.23560	1.0
96.96008	6.0
97.02972	1.8
99.00912	1.3
101.02451	1.5
109.02971	2.0
113.02477	7.1
117.02901	0.8
117.03474	8.7
118.59323	0.9
119.03423	1.0
119.05035	12.5
121.02977	3.9
123.04491	2.0
125.02454	11.4
133.06584	1.5
134.03683	1.2
135.04547	2.2
137.02480	2.6
141.21156	0.9
141.23035	1.2
145.02971	46.2
146.03323	1.8
147.04532	1.1
149.02452	26.9
150.02809	1.4
152.01192	2.5
161.02486	2.0
161.04727	1.2
161.06093	2.9
163.04024	13.3
164.04810	36.9
165.01926	1.5
165.05347	1.5
167.03479	1.8
173.04520	4.6
173.05869	1.4
175.00391	9.9
177.05547	1.2
179.07127	16.0
187.04065	1.2
187.07697	1.3
190.02728	39.3
191.03404	3.4
191.05608	2.9
193.01443	4.5
197.06244	1.0
205.05058	57.7
206.05760	6.5
207.02872	1.2
208.03786	16.8
221.08099	4.9
222.05383	1.2
223.06120	100.0
224.06445	4.4
231.10284	1.7
247.06136	5.9
250.04796	2.9
265.07190	22.8
266.07428	1.1
275.09250	2.8
287.05573	2.0
289.06879	1.5
293.10233	1.1
294.17258	1.2
295.08234	3.0
307.08261	8.7
319.08154	5.7
325.09213	7.9
337.09299	3.1
385.11398	58.7
386.11679	3.0
427.12439	1.3
433.11444	23.6
434.12094	1.7
478.34573	1.1
481.13272	2.3
607.16846	25.3
608.16473	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57517	1.5
53.51118	1.8
57.03447	4.6
59.01380	10.0
63.16932	1.9
71.01386	10.6
71.05013	5.7
71.30091	2.5
71.32845	1.4
72.99291	4.9
73.02942	9.2
75.00880	9.4
82.95422	5.0
83.05030	2.9
85.02938	4.3
87.00883	4.3
89.02448	4.7
96.96018	6.7
96.96996	1.7
97.02974	2.7
101.02451	9.3
107.05050	1.9
109.06596	6.9
111.04505	2.5
113.02446	4.6
120.92429	1.5
121.06551	2.7
123.04532	2.2
123.08190	3.2
125.02441	3.8
131.03552	2.5
133.06520	2.1
135.08220	2.9
137.06096	3.5
147.08167	3.6
149.04512	1.6
149.06036	2.6
149.09688	3.3
151.07713	1.9
161.04617	3.3
161.06111	4.0
161.09814	1.9
163.07669	3.3
163.11308	3.2
165.09149	3.9
172.75409	2.0
173.04578	1.6
175.07683	7.6
179.10695	1.8
185.96640	1.6
191.05621	5.9
191.07240	3.8
191.10779	1.8
193.08702	3.9
201.05380	1.8
203.07166	3.0
205.08887	2.2
219.06549	2.3
221.08218	5.5
276.15094	2.1
415.23346	10.4
426.69101	1.8
427.18097	2.1
445.18759	5.9
471.16150	2.6
489.18011	2.0
519.22626	1.8
547.27789	7.7
555.56519	1.6
563.21033	1.9
607.20392	100.0
608.20599	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89836	0.9
58.94563	1.0
61.98827	4.8
68.91682	1.0
68.99578	99.5
71.31799	1.3
71.32170	1.7
78.95909	18.7
79.95724	1.2
96.96024	27.2
96.96980	29.2
112.98578	100.0
127.04658	1.0
163.65297	1.1
325.84268	1.0
347.06650	1.1
472.06137	1.2
604.24823	1.1
607.17938	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	10.5
59.01378	8.9
61.98833	8.3
69.30444	6.5
69.30842	3.9
77.47051	1.8
81.03460	3.6
82.64301	1.7
87.00882	13.2
89.02480	1.9
99.04529	5.0
101.02454	8.1
109.06590	3.4
125.06075	2.5
127.07671	3.6
270.32941	1.8
381.47360	1.8
385.20486	5.5
387.59433	1.9
503.26703	13.3
504.26761	2.0
512.83698	1.7
547.24780	1.9
607.27625	100.0
608.28082	14.3
610.24841	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	10.7
57.88343	0.5
59.01384	26.7
61.98833	8.7
67.01939	0.5
68.76406	0.5
69.03441	1.6
71.01398	3.6
71.05014	1.7
72.99318	5.0
73.02941	1.8
74.35683	0.5
75.00875	1.4
80.60786	0.4
81.03459	6.4
83.01372	0.8
83.05054	1.3
85.02950	2.2
85.38467	0.5
87.00890	3.1
87.04511	1.4
88.98853	0.8
89.02443	2.4
93.07124	0.7
95.05016	0.6
97.02939	3.6
97.06606	0.7
98.03746	3.2
98.21920	2.3
99.04539	4.8
101.02452	8.4
101.30046	0.5
107.05054	1.6
109.02966	0.5
109.06589	2.7
110.03717	0.6
113.02456	1.5
121.06594	1.0
122.03764	0.7
123.04494	1.3
123.08192	1.6
125.02392	0.6
125.06137	2.4
127.07665	3.3
131.03503	1.1
135.04565	0.6
135.08165	1.4
137.06090	1.8
137.09703	1.2
139.07651	0.6
139.11443	0.6
144.83530	0.5
147.08130	1.4
149.09689	0.7
157.06618	0.6
161.09679	0.8
163.07684	0.7
171.08217	1.1
173.06088	0.6
173.09760	0.9
174.06853	0.6
183.10225	1.5
184.09087	0.6
185.09767	1.1
187.07680	1.0
188.08521	0.6
189.09207	0.8
191.05554	1.1
201.09348	0.6
203.10677	1.1
209.11922	3.1
213.09337	0.7
217.12367	0.7
237.12910	0.6
239.14433	0.6
241.15894	0.9
253.18204	0.9
255.13737	0.8
257.15359	0.9
259.86896	0.5
265.15851	0.9
267.12607	0.7
267.17523	0.8
283.17117	1.1
295.16956	1.7
297.18610	0.7
309.18607	0.9
313.18100	1.1
325.21725	0.7
341.21124	0.9
357.17026	1.9
359.18619	1.4
365.21292	1.2
385.20203	4.5
386.20551	0.7
387.21744	0.9
389.84903	0.5
401.19983	1.3
403.21463	0.8
409.20477	0.6
415.22076	0.6
427.21188	0.7
445.22250	0.8
485.25479	2.3
503.26627	14.5
504.26956	1.7
521.27380	1.5
529.24414	1.8
547.25610	5.8
560.22449	0.6
565.26709	1.8
607.27582	100.0
608.27899	12.7
608.37665	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.9
57.03446	6.4
59.01384	80.9
61.98848	9.1
67.40362	1.6
69.03458	12.7
69.12897	11.5
69.13311	3.9
71.01391	9.7
72.99329	11.6
73.02945	5.6
75.00860	2.5
83.05031	3.3
85.02956	8.3
87.00883	3.4
89.02457	5.1
95.05018	2.6
97.02959	54.7
97.06590	3.1
101.02446	12.1
102.00156	1.8
106.79783	1.7
107.05087	2.1
109.02948	4.1
109.06585	8.0
111.04508	4.2
121.06605	12.8
123.04518	2.4
123.08181	5.0
125.02528	3.5
125.06105	2.1
127.07674	2.8
131.03485	2.9
133.06599	4.3
135.08130	3.6
137.06088	10.2
139.07657	18.4
149.04562	3.6
149.09688	2.2
151.00363	2.4
151.07651	8.1
159.08156	2.5
161.04593	4.0
161.09789	2.5
163.07678	2.1
169.08728	2.5
171.10394	2.1
175.07610	2.6
177.09261	2.4
178.99922	2.0
187.11324	2.2
190.37253	1.8
191.05644	4.4
191.10748	2.3
197.13367	2.9
203.10812	3.0
211.04045	2.6
227.03476	8.1
229.05095	5.5
231.10347	2.1
239.03596	1.9
255.03000	14.4
255.18011	1.9
256.03641	2.7
257.04489	2.1
269.15576	2.0
273.18668	3.6
284.03287	14.7
285.04050	74.7
285.18564	2.5
286.04327	5.6
295.16846	2.3
303.19440	2.2
313.18103	4.9
325.18121	9.1
343.19275	2.2
367.19284	2.3
375.18033	6.9
379.22440	2.2
403.21442	3.9
415.23389	13.3
421.22406	19.2
423.21732	7.1
431.20779	3.4
441.22919	7.8
449.21817	32.2
450.22141	2.7
455.20755	12.2
473.21814	19.9
483.23898	15.9
501.24991	76.4
502.25238	9.8
511.23282	5.4
519.26270	12.7
529.24451	100.0
530.24780	12.5
547.25751	46.7
548.25916	5.0
575.13763	8.0
607.16357	12.8
607.24646	5.2
608.16339	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.4
59.01384	100.0
60.01687	0.9
61.98838	9.1
67.71745	1.0
69.03459	15.0
69.24359	4.8
69.24763	2.4
71.01385	6.1
72.99303	6.8
73.02943	2.4
75.00873	2.0
78.16820	1.1
80.96529	22.7
83.05043	4.2
85.02971	3.9
87.00891	4.3
89.02450	2.8
93.03458	1.4
95.05054	1.4
97.02959	76.2
98.03282	1.9
101.02455	4.4
107.05029	1.2
109.06616	1.9
110.86844	1.0
115.35648	0.9
121.06611	4.4
123.04492	1.2
123.08179	1.7
125.02466	1.4
131.03528	2.0
135.04515	2.0
135.08142	1.4
137.06087	14.7
139.07681	4.2
143.05023	1.0
147.08148	1.9
149.04565	1.9
149.09732	1.4
151.07651	1.1
157.06596	1.4
159.08127	2.7
161.04588	2.5
163.07716	1.4
175.07591	1.1
191.05586	2.8
205.08614	4.8
227.14447	3.9
245.15549	5.0
247.13391	3.6
251.16722	1.3
253.17801	1.4
255.13930	2.1
259.06268	1.3
267.13965	2.1
273.15018	2.1
273.18643	4.5
285.14963	4.2
297.40204	1.1
301.18076	1.1
303.16074	3.0
303.19724	2.4
327.16196	6.0
345.17090	4.4
361.20175	3.0
365.16290	1.7
373.16776	3.2
375.18121	12.5
391.17709	2.3
403.21393	7.3
415.23312	7.1
421.22281	13.9
422.22672	2.4
431.20825	2.4
449.21774	23.0
450.22168	2.8
455.20715	1.4
463.21271	2.4
473.21829	47.7
474.22379	6.0
479.20804	2.2
501.25125	1.6
519.25958	7.0
525.21375	6.9
529.24530	7.6
547.25562	80.7
548.25665	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.8
57.03443	4.7
58.00594	2.8
59.01383	100.0
60.99300	2.8
61.98834	32.6
71.01385	88.4
71.31575	1.7
71.31966	2.1
72.01759	1.5
72.99297	5.6
73.02948	13.0
75.00874	4.6
83.01395	5.7
85.02957	20.5
87.00892	5.8
88.98799	11.5
89.02448	70.5
93.03441	2.3
95.01388	3.5
96.96048	1.7
97.02937	2.1
99.00875	7.7
99.04517	1.8
101.02446	48.2
101.03123	2.4
101.18666	1.4
102.02800	1.4
102.91208	1.3
107.01406	2.2
109.02972	1.5
111.04577	1.5
112.43688	1.5
113.02454	26.1
115.00385	45.7
116.00735	1.6
119.03503	16.5
125.02469	7.0
131.03513	32.4
137.02496	2.2
143.03497	4.5
149.03383	1.9
149.04564	32.8
151.00429	2.6
159.03113	1.4
161.04561	16.2
165.01912	1.4
173.04553	3.0
178.99838	2.2
179.05664	12.8
185.06119	1.7
187.03955	1.7
191.05606	23.0
209.08214	2.5
221.06665	1.7
221.15489	6.0
222.20685	1.6
223.13347	2.0
227.03516	2.2
229.05042	5.2
229.27693	1.6
237.14919	2.9
241.01614	3.0
251.07686	2.2
255.02954	3.7
261.06363	2.3
265.14426	5.0
269.04523	2.8
271.02393	5.0
283.15488	17.9
284.15875	1.8
285.04077	21.0
286.04294	2.2
293.08856	2.7
299.01996	5.3
300.02689	2.6
301.03586	6.0
311.09937	2.3
415.23383	70.3
416.23654	6.6
432.67096	2.0
445.20438	7.7
547.27661	54.3
548.27563	5.1
579.13855	1.8
607.15497	1.9
607.25812	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.328
Annotation	Unknow
Peak:m/z	Relative Intensity
66.05090	2.2
69.13004	4.1
69.13403	11.6
72.57103	2.2
83.87788	1.9
85.00454	17.8
98.22591	3.7
102.09834	1.9
126.40524	2.1
221.15501	9.6
268.03699	3.7
276.32788	2.3
281.08215	4.5
282.09024	2.1
295.09567	2.4
296.10645	2.3
297.04059	2.4
297.07748	7.2
308.06915	4.7
309.07770	18.7
310.08252	4.3
312.10019	3.4
322.08685	2.6
323.09262	4.9
324.10080	29.3
325.07111	10.5
325.10770	6.9
327.12448	3.7
338.11151	3.0
339.12338	23.0
340.09357	5.5
340.12924	6.1
354.14691	14.3
355.11832	35.3
355.15631	4.0
356.12167	4.1
370.14163	8.4
385.16595	100.0
386.16846	8.0
519.91302	2.2
607.21753	2.3
607.34534	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	85.0
61.98840	16.2
69.25024	13.5
69.25419	45.9
71.01391	59.0
72.99312	28.4
83.01409	7.8
87.00860	7.1
89.02455	84.2
101.02465	23.7
113.02444	28.3
115.00399	9.6
119.03538	24.4
125.02500	10.8
151.00362	18.7
151.04036	18.5
161.04597	8.4
166.02647	6.7
178.99933	11.6
179.05629	27.7
227.03452	7.3
240.07352	7.5
243.03101	8.7
255.02951	20.2
265.79443	7.1
271.02448	24.8
279.06943	9.9
289.07336	7.6
291.76410	6.3
294.09052	13.2
299.05539	9.5
300.02740	45.0
301.03546	92.0
310.08511	14.5
325.10901	18.9
385.12927	100.0
386.13699	8.3
387.14703	15.4
432.59924	6.7
446.20996	7.5
447.22095	9.7
565.22430	9.1
591.13086	30.5
591.21320	10.7
609.13220	12.5
609.21844	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37342	0.8
57.28952	1.0
61.98829	4.0
87.75237	0.9
98.22027	5.7
174.20004	1.1
181.41122	0.8
255.02925	1.2
257.04633	1.0
265.81277	1.0
272.03473	2.4
272.71603	1.1
287.05661	8.8
288.06506	2.8
298.08429	1.1
312.10086	1.3
315.08658	2.5
322.23178	1.3
324.10400	1.2
326.08054	4.4
327.08557	2.2
341.10349	5.6
342.11020	3.3
343.08157	2.3
345.13419	2.3
355.11780	1.7
356.12787	4.9
357.13486	6.3
358.10574	2.3
371.14975	6.0
373.12976	32.1
374.13171	3.3
388.15274	22.5
389.15903	2.0
403.17642	100.0
404.17981	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.6
59.63739	2.4
61.98835	15.0
68.99547	3.9
69.11346	17.8
69.11763	9.7
87.00858	4.1
99.04541	4.3
121.02953	8.0
127.03937	3.0
136.04185	2.6
142.20514	2.7
145.49020	2.7
243.31558	2.9
399.23380	3.7
461.23563	6.3
505.22345	100.0
505.29788	5.3
506.22583	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.3
59.01378	1.9
61.98835	100.0
69.01096	1.1
69.01517	1.9
70.72505	0.2
71.01389	1.3
71.95344	0.3
72.99326	0.4
73.02927	0.4
75.00901	0.5
82.95419	0.3
85.02969	0.4
87.00919	0.4
88.98830	0.5
89.02480	1.1
101.02478	0.6
113.02446	0.4
125.02486	0.4
131.03558	0.3
137.02521	0.2
153.84308	0.2
161.04605	0.3
179.10941	0.4
191.05707	0.4
192.18169	0.2
245.97258	0.3
251.16675	0.6
252.16937	1.2
253.17178	0.4
271.02615	0.3
300.02948	0.3
393.20901	0.3
416.23782	0.4
417.24960	0.5
447.20459	1.1
549.33417	0.3
608.34381	0.3
609.25116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61413	0.7
53.14404	0.7
59.67799	0.7
61.98833	100.0
70.43235	2.3
94.62835	0.7
112.79748	0.7
140.02754	0.7
204.33826	0.8
337.26199	0.8
406.24841	0.9
619.46002	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.9
59.01384	5.2
61.98834	100.0
68.99557	3.4
85.19061	0.6
88.78102	0.7
96.96049	0.8
97.06627	1.1
98.22642	1.2
99.04539	1.5
103.00407	2.2
112.98611	2.9
115.00406	2.1
120.75443	0.6
139.07678	0.7
171.94832	0.6
213.50932	0.7
215.14436	0.6
230.00923	0.8
257.19290	0.8
299.20380	2.1
301.18097	0.9
319.42746	0.6
328.07391	0.6
343.19165	5.6
344.19608	0.9
383.22412	1.0
401.23544	2.1
423.25174	3.8
441.26715	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18800	1.0
52.19048	1.0
57.03448	4.2
59.01387	5.4
61.98836	21.1
66.09154	1.1
70.49878	0.9
71.01378	3.7
73.02944	3.2
74.22775	1.0
80.96515	2.6
85.02953	2.6
85.84142	0.9
87.00887	1.6
87.04519	6.7
89.02449	9.7
95.05016	1.0
97.02982	2.0
99.04527	2.0
101.02444	1.8
109.06628	2.1
113.02446	1.8
127.07679	1.2
127.85943	0.9
131.03476	0.9
135.08127	0.9
135.96661	0.8
137.06100	2.2
196.99721	0.9
241.16302	0.9
267.17532	1.7
295.17123	1.5
307.17212	1.4
313.18237	1.7
325.21716	1.0
359.18488	1.4
365.21262	1.9
383.22647	1.2
385.20325	2.1
387.21759	2.1
401.19482	1.9
409.20401	1.7
427.21341	2.2
433.22568	1.1
445.22348	2.5
455.16736	1.5
463.23407	14.1
464.23239	1.7
503.26306	1.8
534.19061	1.0
537.27533	1.4
541.01794	0.9
541.19769	0.9
543.18781	1.1
547.25378	3.3
548.26093	1.9
565.26599	100.0
566.26971	12.3
609.13696	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	6.4
59.01374	9.8
61.98839	100.0
62.82487	3.5
68.98628	14.7
68.99065	16.3
69.03426	5.0
69.79314	3.2
71.01364	4.1
72.99304	8.1
75.00861	5.0
80.91702	3.9
83.05004	4.6
87.04520	4.3
97.02973	14.1
111.04509	5.5
125.02430	3.8
153.47736	4.3
170.16211	3.6
231.36919	3.7
234.88263	3.8
281.13928	5.7
332.96210	3.7
423.23956	12.5
451.23331	4.5
463.23383	7.8
521.27448	7.1
537.27148	29.2
538.27197	6.2
549.26617	6.2
565.26501	47.9
566.27075	8.0
567.28076	6.7
573.19769	5.9
609.29175	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21541	1.0
57.03447	2.6
57.97109	1.1
59.01394	6.9
61.98831	24.8
62.60418	1.1
71.01387	4.3
71.29750	1.3
72.99320	2.0
73.02975	5.3
78.54359	1.1
78.91900	1.1
85.02962	2.8
87.00877	2.4
87.04521	8.5
89.02467	7.8
97.03009	1.4
101.02488	2.3
113.02411	1.7
125.02505	1.6
137.09685	1.2
277.16071	1.2
295.17191	2.8
309.66644	1.2
321.18451	1.3
325.21802	1.2
339.15909	1.2
365.21307	3.4
383.22513	1.8
385.20309	3.8
401.19620	1.6
427.21429	3.6
445.22437	3.9
463.17368	2.2
463.23428	26.5
464.23843	2.2
491.18970	1.3
537.27197	4.5
547.25592	3.9
548.26489	1.3
565.26550	100.0
566.26898	15.3
608.27100	1.6
609.29279	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62019	0.4
56.48146	0.4
59.01395	0.7
61.98835	100.0
71.30938	0.7
78.95911	1.1
80.96538	0.5
85.05836	0.4
151.00444	0.5
159.05164	0.5
271.02704	0.6
300.02853	1.0
349.57007	0.4
411.40427	0.5
536.19647	0.5
609.14691	1.0
609.26196	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05654	0.7
61.98834	100.0
69.12060	6.9
98.21800	1.2
99.04523	5.2
100.04895	1.7
121.02992	2.4
122.03297	1.7
176.34900	1.0
214.32069	0.7
251.94662	0.7
254.05588	0.7
259.98251	0.7
265.04913	1.2
266.05460	1.0
297.07492	0.8
325.07303	1.0
326.07639	2.2
327.07852	2.6
328.08234	1.9
353.06882	1.0
354.07309	2.3
355.07370	2.3
356.07513	1.4
370.09756	1.1
371.09842	0.8
383.11682	3.0
384.11713	7.3
385.12000	12.4
385.16574	0.9
386.12265	8.1
413.26233	0.8
508.16232	1.7
545.35040	1.9
629.38263	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	10.0
83.01385	8.4
88.52526	5.3
93.03474	7.7
95.01392	10.2
99.00886	6.8
109.02974	26.3
109.40441	4.8
111.00923	11.2
117.52370	6.0
121.02952	7.6
123.00934	7.9
123.04529	4.9
125.02456	100.0
133.02983	5.0
137.02446	94.7
139.00349	6.2
139.04034	7.4
141.01973	9.4
149.02461	14.4
151.00389	8.8
151.03992	13.7
153.01978	13.6
159.04553	6.0
161.02452	16.9
163.00366	7.0
163.03992	7.8
164.01175	6.4
165.01964	8.8
167.03535	21.7
175.03989	13.2
177.01930	78.0
179.03552	9.8
187.03973	6.8
194.02039	6.0
199.76599	4.9
203.03625	6.5
206.99712	8.2
213.05624	6.8
216.98141	5.0
217.05159	8.9
228.86755	5.8
231.02982	11.1
243.03149	11.7
249.00801	20.8
255.02924	9.6
259.02536	13.5
277.04108	5.9
283.02875	8.0
285.04126	7.1
289.07220	7.8
295.01425	7.2
299.02267	9.4
301.03879	12.0
303.05161	40.6
305.06686	25.9
312.28015	5.1
327.01880	27.1
337.02557	8.4
345.02991	15.7
359.00867	21.1
387.04083	34.0
397.04565	20.2
421.06003	10.7
423.07285	36.7
439.06546	13.7
441.08261	10.5
489.07214	70.3
490.07559	7.8
549.09363	30.2
609.13129	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	10.0
83.01385	8.4
88.52526	5.3
93.03474	7.7
95.01392	10.2
99.00886	6.8
109.02974	26.3
109.40441	4.8
111.00923	11.2
117.52370	6.0
121.02952	7.6
123.00934	7.9
123.04529	4.9
125.02456	100.0
133.02983	5.0
137.02446	94.7
139.00349	6.2
139.04034	7.4
141.01973	9.4
149.02461	14.4
151.00389	8.8
151.03992	13.7
153.01978	13.6
159.04553	6.0
161.02452	16.9
163.00366	7.0
163.03992	7.8
164.01175	6.4
165.01964	8.8
167.03535	21.7
175.03989	13.2
177.01930	78.0
179.03552	9.8
187.03973	6.8
194.02039	6.0
199.76599	4.9
203.03625	6.5
206.99712	8.2
213.05624	6.8
216.98141	5.0
217.05159	8.9
228.86755	5.8
231.02982	11.1
243.03149	11.7
249.00801	20.8
255.02924	9.6
259.02536	13.5
277.04108	5.9
283.02875	8.0
285.04126	7.1
289.07220	7.8
295.01425	7.2
299.02267	9.4
301.03879	12.0
303.05161	40.6
305.06686	25.9
312.28015	5.1
327.01880	27.1
337.02557	8.4
345.02991	15.7
359.00867	21.1
387.04083	34.0
397.04565	20.2
421.06003	10.7
423.07285	36.7
439.06546	13.7
441.08261	10.5
489.07214	70.3
490.07559	7.8
549.09363	30.2
609.13129	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1252
Annotation	Prodelphinidin B5
Peak:m/z	Relative Intensity
52.89255	1.1
53.80663	1.1
54.75200	1.0
57.03454	11.3
59.53943	1.0
79.75076	1.0
81.03468	1.8
83.01394	3.2
93.03468	3.1
95.05003	1.6
97.02966	2.9
109.02965	15.0
111.04557	2.1
121.02982	5.9
123.00886	2.6
123.04494	1.5
124.01665	2.0
125.02457	100.0
126.02805	2.3
127.44109	1.0
131.05023	1.4
133.02962	2.3
135.04509	1.2
137.02451	26.3
138.03120	1.4
139.04030	14.4
149.02454	6.5
151.04015	5.2
159.04518	1.3
161.02493	3.0
163.04021	2.7
164.01219	3.1
165.01936	11.9
167.03520	13.8
175.04051	8.1
177.01945	73.4
177.05473	2.5
178.02457	3.1
179.03511	9.1
183.63869	1.2
187.04063	3.9
191.03563	2.2
193.05049	1.4
199.04057	2.4
201.05544	1.2
203.03514	2.5
204.04253	2.6
205.01364	1.6
211.03992	2.2
215.03525	2.8
217.05077	1.9
219.02983	1.6
219.06657	9.0
221.04518	4.2
227.03535	2.4
229.05197	4.0
243.03012	9.5
255.02997	21.1
256.03717	4.3
257.04559	2.5
257.61182	1.2
259.05908	1.2
261.04016	2.6
261.07788	2.4
263.05719	1.3
269.04660	2.8
273.04129	4.0
282.01828	1.6
283.02554	12.6
285.04010	3.8
297.04068	7.5
298.04684	2.2
299.05698	1.7
303.05063	7.8
305.06677	62.5
306.06924	4.7
315.05118	2.2
345.06104	1.3
354.67664	1.2
355.08441	1.7
384.70319	1.1
397.09488	1.7
422.37433	1.2
423.07239	94.0
424.07693	9.5
441.08322	20.5
442.08829	2.1
483.09464	6.3
609.12170	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01142	0.7
59.01388	8.4
59.04685	0.7
61.04568	0.8
61.98834	9.2
64.17834	0.7
65.00346	1.3
69.17371	6.0
71.01373	3.2
73.02934	1.8
73.21433	0.8
85.02956	2.3
89.02444	2.5
90.01463	0.8
93.03497	0.9
96.96017	2.7
98.95613	1.4
101.02470	3.2
105.24606	0.9
107.01405	1.0
109.02920	1.4
113.02483	1.6
119.03486	1.4
121.02924	1.4
125.02483	1.2
131.21201	0.7
151.00397	6.5
152.00797	0.9
163.00372	1.7
166.68381	0.7
177.01852	0.8
178.99898	3.2
179.07138	5.8
191.05623	2.6
199.04027	1.9
205.01622	0.8
207.42488	0.8
211.04007	1.3
215.03519	1.3
222.34329	0.8
227.03526	4.3
228.03969	1.1
243.02995	10.1
254.02141	2.2
255.02989	19.3
256.03342	1.4
271.02509	59.8
272.02927	5.0
285.03995	2.7
292.21631	0.9
298.98541	1.8
299.01993	53.6
300.02756	75.5
301.03421	18.1
314.04333	12.0
315.01608	1.3
315.05081	20.8
315.08746	1.4
316.05524	1.6
369.13318	1.0
369.85434	0.8
417.24719	2.4
419.07678	1.4
461.18283	4.9
462.18314	1.1
549.28772	2.2
607.52692	0.8
609.14594	100.0
610.14948	11.4
631.19202	1.1
633.10413	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68421	0.5
60.43723	0.6
65.00303	1.3
69.37103	1.5
69.37509	2.0
83.01376	0.6
96.04870	0.5
98.21835	1.1
107.01408	1.7
108.02182	1.7
148.01653	1.6
151.00395	3.4
163.00357	0.9
178.99841	2.7
199.03964	1.1
215.03543	0.8
226.02666	1.9
227.03500	4.6
243.02980	14.0
244.03445	0.7
254.02248	2.1
255.03004	31.2
256.03360	2.3
271.02499	69.5
272.02881	5.9
275.31076	0.6
299.01990	2.4
300.02771	100.0
301.03375	10.7
311.94699	0.5
399.06866	0.5
574.98877	0.7
609.14630	62.0
610.14996	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00311	1.5
68.99755	6.8
92.27460	0.7
104.63013	0.6
107.01401	2.3
108.02151	0.8
109.02943	1.2
121.02988	1.8
135.00894	0.7
138.63664	0.6
148.01689	1.2
151.00388	10.9
155.52702	0.6
155.93372	0.8
163.00391	3.2
163.53992	0.7
164.01144	0.8
178.99895	5.3
180.62622	0.7
183.01521	0.6
201.05595	1.0
211.03984	1.0
216.04257	0.9
217.53973	0.6
226.02780	1.9
227.03494	3.0
229.04893	1.0
243.02989	11.3
244.03300	0.9
245.04549	1.7
254.02284	2.2
255.03009	25.2
256.03397	2.1
271.02493	53.8
272.02982	4.4
273.03882	0.8
283.02460	1.4
299.02097	1.1
300.02783	92.5
301.03519	36.4
302.03983	2.0
310.02191	0.7
368.93088	0.7
418.42227	0.8
609.14624	100.0
610.15015	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03741	0.5
59.01382	2.6
59.35139	0.5
59.85557	0.5
61.98827	0.8
63.02399	1.1
65.00322	2.3
71.01376	0.8
71.30161	0.7
72.99292	0.7
78.21758	0.5
83.01371	1.7
85.02990	0.7
87.00867	2.3
88.39165	0.5
89.02456	0.8
93.03492	0.8
93.07944	0.6
107.01385	4.5
108.02184	0.7
109.02980	2.7
114.74324	0.4
121.02974	4.2
125.02402	1.0
135.00870	0.7
148.01614	0.8
149.02437	1.6
150.03168	0.8
151.00380	17.4
151.04016	0.6
152.00826	0.6
159.04605	0.7
163.00406	3.6
165.05539	0.8
173.06073	0.7
178.99858	8.8
195.06599	0.8
199.04057	1.0
201.05597	1.0
203.03506	0.6
211.04048	1.3
226.02655	0.7
227.03490	1.9
228.04222	0.7
229.05096	1.2
243.03017	6.6
245.04443	2.4
254.02277	1.2
255.00473	1.1
255.03018	16.0
256.03467	1.6
271.02509	31.2
272.02988	2.4
273.04117	1.3
283.02554	2.5
293.08621	0.5
299.01947	1.8
300.02780	45.3
301.03546	100.0
302.03934	6.4
343.11798	1.0
467.59982	0.5
498.89835	0.6
525.21515	1.2
537.71515	0.5
591.13556	29.2
592.13983	4.3
609.14148	4.6
609.22101	0.8
610.14008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92631	0.2
56.86905	0.2
59.01393	1.5
61.98837	4.0
68.99566	0.4
69.06776	0.8
69.07195	1.4
71.01379	0.3
71.70538	0.2
73.02938	0.9
75.00876	4.6
80.91704	0.3
96.96023	1.3
99.00871	1.3
99.92588	10.4
115.00415	0.3
116.92869	100.0
117.01954	4.7
117.05579	0.8
117.92880	4.7
149.09663	0.2
152.10120	0.3
152.99567	0.3
300.02841	0.6
489.56461	0.2
609.24731	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	4.1
59.01385	4.5
61.98848	1.0
63.02411	1.1
65.00333	3.6
68.99844	1.0
69.09510	5.4
71.01403	1.7
73.02968	1.4
76.19912	0.6
81.03478	1.8
83.01398	4.0
83.34292	0.6
85.02956	1.6
87.00905	1.3
89.02493	1.6
93.03492	2.8
96.02211	0.6
101.02493	1.0
107.01389	5.2
109.03014	0.9
111.00887	1.1
113.02476	1.1
117.03462	1.0
119.05067	1.8
121.02977	1.5
123.00932	1.2
123.04565	0.9
124.01665	4.6
125.02454	36.1
126.02826	0.8
131.05058	0.9
133.02994	1.7
135.04509	0.7
137.02477	0.7
139.00389	0.8
143.03505	0.8
151.00371	15.2
152.01163	20.6
157.06590	1.2
159.04559	1.1
161.04643	0.8
165.01947	4.8
172.05339	1.8
173.06068	5.0
175.03981	1.4
177.05617	3.0
178.99869	15.2
187.07643	1.2
197.06091	0.8
199.07651	1.8
200.04855	0.8
201.05602	3.4
213.05603	0.7
215.07098	5.6
219.06625	0.6
223.19254	0.6
225.05513	0.9
226.44456	0.7
241.05075	2.4
243.06601	6.4
259.06119	86.8
260.06522	4.2
269.04556	20.7
270.04840	1.4
271.02512	1.4
286.04861	2.5
287.05618	100.0
288.05939	6.3
300.02509	1.8
301.03452	1.7
324.36313	0.8
403.19482	0.7
417.24722	2.2
447.25922	0.7
549.29077	2.3
577.15625	6.3
609.14630	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.2
57.51299	0.3
59.01385	3.9
59.13820	0.3
61.40620	0.4
61.98838	1.0
63.02394	1.2
63.75387	0.3
65.00326	4.2
68.18549	0.3
68.99808	0.5
69.16827	2.1
69.17237	1.0
71.01385	2.1
72.99319	0.3
73.02949	1.4
74.51830	0.4
81.03448	0.9
83.01395	2.8
85.02962	1.6
85.46039	0.3
87.00888	1.2
87.04495	0.7
89.02465	0.7
93.03462	1.2
95.01429	0.5
97.02921	0.3
99.00883	0.5
101.02462	1.4
107.01395	5.3
109.02954	1.0
111.00858	0.5
115.03986	0.6
117.03488	2.4
121.02987	2.4
123.04484	0.4
124.01687	1.9
125.02461	11.8
131.03503	0.6
133.02965	0.8
135.04539	0.4
137.02437	0.7
143.03543	2.9
143.55562	0.3
149.02429	0.9
151.00381	12.4
152.01172	6.5
157.06572	0.6
159.04565	1.0
161.02466	0.4
165.01971	4.3
169.01483	0.4
169.06631	1.1
172.05257	0.4
173.06091	1.4
177.05623	0.9
178.99869	6.0
181.06613	0.9
182.03761	0.4
183.04558	0.4
184.20255	0.4
196.05295	0.7
197.06129	1.6
199.04016	0.7
199.07718	0.5
201.05644	1.0
205.07149	0.6
215.07184	1.7
225.05624	2.7
227.03497	0.6
241.05019	0.7
243.02917	0.8
243.06477	1.6
255.03078	2.0
257.04279	0.4
259.06125	16.2
260.06479	1.2
263.12830	1.0
269.04568	100.0
270.04889	6.1
271.02539	3.8
283.02432	0.4
285.04071	1.0
286.04868	0.5
287.05640	16.8
288.06146	0.8
300.02780	5.5
301.03574	11.6
302.03867	0.6
384.22473	0.3
485.44107	0.3
577.15692	13.2
578.15985	1.4
591.13464	3.3
609.15137	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.5
59.01387	7.9
59.78774	0.6
60.99310	15.4
61.98817	1.2
63.92024	0.6
71.01393	10.0
73.02938	2.1
74.71493	0.6
83.01405	1.4
84.95120	1.4
85.00439	1.5
85.02974	3.6
87.00866	1.8
88.00395	0.9
88.98813	100.0
89.02458	11.4
89.99126	1.0
98.22558	1.0
99.00894	0.7
101.02454	7.0
104.02761	0.6
113.02453	3.7
119.03532	0.7
121.02998	0.7
125.02478	1.8
131.03514	2.4
149.04544	1.3
159.03008	0.8
161.04562	4.9
191.05621	1.2
218.59253	0.7
255.02962	0.9
283.02487	1.0
289.07108	1.2
291.80087	0.7
300.02905	0.9
417.24960	11.7
447.22681	0.9
549.29211	14.0
550.29883	1.4
569.89423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.4
59.01383	100.0
60.01709	0.7
61.98832	3.8
71.01392	1.6
73.02987	0.5
75.00891	0.8
76.60132	0.4
79.95753	0.7
80.96520	1.7
85.02959	0.7
94.98084	0.8
98.22156	2.3
101.02496	1.0
109.02974	0.5
113.02492	0.5
124.01699	0.7
135.04488	0.5
137.02470	0.9
139.74002	0.4
156.06413	0.4
158.80981	0.4
161.04591	1.2
164.98622	0.7
170.54996	0.4
183.12708	0.4
225.00819	0.7
254.79997	0.4
299.09213	0.6
314.11664	0.9
329.13943	5.5
357.13431	24.0
358.13898	2.1
372.15787	15.4
373.16049	1.0
387.18158	49.2
388.18530	3.7
445.16028	0.4
553.34888	0.4
609.15900	0.6
609.25586	3.4
609.35107	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77584	1.9
59.01384	51.6
61.98836	30.9
67.41089	2.5
71.01389	27.5
71.31506	2.3
72.99319	3.2
73.02951	7.5
74.48529	1.8
78.95911	3.3
78.98594	7.3
79.34174	2.2
79.95721	9.6
80.96527	57.8
83.01392	3.1
85.02949	6.7
87.00880	6.0
89.02457	25.5
92.97519	6.6
94.98079	13.4
97.02957	3.5
98.22238	2.2
99.00901	3.5
101.02446	17.5
103.01494	2.2
106.98038	2.3
113.02493	10.1
119.03499	3.5
122.97598	5.3
125.02438	5.6
131.03546	13.5
134.97577	3.2
143.03462	3.6
148.99152	4.2
149.04631	9.8
152.98637	8.5
161.04564	3.6
162.23071	1.8
163.96065	1.8
164.98653	12.3
172.64055	2.2
179.05626	2.7
191.05673	12.9
197.12082	2.4
206.99733	2.8
225.00752	16.0
271.02640	3.8
277.60022	2.4
283.09756	5.6
297.11383	3.0
297.24261	3.5
298.12033	6.4
299.04526	3.7
300.02771	7.6
311.09326	2.3
315.25360	6.3
326.11551	2.5
329.13950	4.8
341.13965	9.0
355.15460	2.7
357.13440	22.8
365.30563	2.4
372.15796	14.0
387.18167	66.2
388.18567	4.5
417.24765	19.2
418.25146	2.9
447.31308	6.0
492.17349	2.1
549.22192	4.1
549.30316	9.9
609.15387	6.0
609.25861	100.0
609.35101	25.5
610.26166	10.2
610.35315	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2693
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
59.01386	4.1
61.98833	44.8
62.36397	0.6
68.99567	0.9
70.15290	0.7
71.01369	2.0
74.99137	0.9
75.25632	0.7
78.91885	1.4
78.95909	60.1
80.91690	13.8
80.96524	1.9
81.57427	0.7
82.95415	1.0
82.96088	1.2
85.02965	1.2
89.62152	0.8
96.96004	2.0
96.96332	0.7
96.96963	11.9
101.02430	1.4
101.44109	0.7
113.02538	0.8
114.93422	2.4
115.00409	1.1
125.02447	1.0
126.07253	0.8
150.97990	0.8
151.00456	0.8
152.99600	71.0
153.99976	1.0
165.12866	1.2
171.00679	2.7
181.12349	0.8
191.04137	0.7
191.05588	4.0
195.13918	9.7
209.11781	2.0
211.13426	1.2
223.00145	7.9
223.13431	5.0
228.13721	1.1
241.01193	21.0
255.02975	0.8
256.13126	0.7
259.02234	1.5
271.02463	3.4
275.20117	3.5
283.14438	0.8
291.19644	3.0
293.21234	38.8
294.21545	2.2
300.02771	3.1
301.03375	1.5
305.21167	0.9
315.04843	10.5
333.06155	1.1
373.19986	1.0
386.08035	0.7
439.00891	0.9
455.20816	0.9
529.24207	1.9
573.23029	1.7
609.26782	100.0
610.27039	11.2
610.35846	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87027	1.0
57.03451	1.6
59.01383	30.2
61.98834	100.0
62.98549	0.9
66.39381	1.1
71.01390	21.8
72.99314	1.9
73.02955	5.5
74.71921	0.9
75.00881	2.9
78.95943	1.1
80.91703	1.5
80.96535	2.0
81.03445	1.1
82.95423	2.4
83.01402	3.0
85.02956	3.6
87.00877	2.0
88.96453	0.9
88.98820	4.0
89.02450	31.4
97.02964	1.6
98.21712	2.1
99.00886	9.8
101.02448	12.5
102.02097	1.1
113.02448	4.3
119.55311	1.0
125.02480	6.1
131.03513	23.1
136.05302	1.6
137.02470	4.2
137.05981	1.0
149.04573	16.8
154.09680	1.0
161.04555	1.4
164.98677	0.9
165.01926	1.9
174.56041	1.0
183.13913	27.9
184.14246	1.4
191.05612	14.1
197.15521	2.0
207.13872	1.3
221.55223	1.1
225.00758	1.7
225.14964	18.5
228.85684	1.2
237.15071	2.0
239.03575	1.0
242.43896	1.1
255.16031	8.3
271.02499	3.4
293.08762	1.7
300.02780	3.5
447.19257	3.4
547.30518	1.1
584.30219	1.0
609.15332	1.7
609.25012	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26761	1.9
57.03452	17.5
59.01382	20.1
61.98827	9.7
69.00921	3.8
69.01322	17.8
69.03452	5.5
71.01402	11.9
72.99319	10.6
73.02966	2.6
83.05015	12.5
85.02959	5.6
87.00855	2.4
89.02463	4.7
93.03476	6.8
95.05039	3.1
97.02950	18.0
98.22533	5.3
101.02429	4.0
109.02979	5.1
111.04527	31.6
113.02491	3.3
137.06131	7.3
148.52309	2.5
149.04543	2.3
151.00421	2.4
161.04604	2.1
169.08710	5.0
191.05612	2.6
243.54825	2.0
255.03079	4.2
259.06177	2.6
269.04526	9.2
271.02521	5.4
281.13916	21.6
285.03931	7.8
286.04230	6.5
287.05136	3.5
287.16611	3.6
300.02820	11.7
301.03430	10.1
325.74374	2.1
345.44177	1.9
349.16537	2.6
349.37814	2.3
357.83765	2.3
375.27792	2.5
404.17941	6.9
417.25058	14.4
418.71182	2.5
423.23959	46.9
424.24210	4.5
433.22556	8.2
451.23401	100.0
452.23398	13.2
485.25806	2.2
503.26401	4.3
513.24725	2.7
531.26019	14.4
532.26428	2.3
549.28888	8.0
573.20178	2.5
591.14240	2.5
609.14227	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2932
Annotation	Areptin A
Peak:m/z	Relative Intensity
57.03454	26.7
59.01386	44.7
61.98828	7.0
67.01878	2.2
69.03458	23.6
69.14722	14.4
71.01370	5.5
72.99326	8.0
72.99673	1.5
73.02950	2.3
75.00845	1.9
79.44723	1.8
83.05038	16.2
85.02958	7.1
89.02439	4.5
93.03461	5.1
97.02961	100.0
98.03359	2.2
98.22160	8.9
109.02972	9.2
111.04538	53.2
113.02446	2.7
123.08155	2.0
137.06093	13.0
137.25488	2.2
140.94910	2.0
151.07698	3.1
153.48521	1.6
163.07634	3.9
169.08723	11.3
177.09285	2.2
191.05540	2.2
199.14548	1.7
247.98512	1.9
266.42194	1.8
281.13962	17.0
285.63608	1.9
287.16498	9.3
300.02518	1.7
304.52164	1.6
311.36337	1.7
375.17975	3.3
403.87912	1.6
405.22998	9.3
415.53497	1.7
423.23956	56.1
424.24185	5.3
425.25552	2.9
432.34717	2.1
433.22412	11.0
451.23459	29.9
452.23676	4.7
485.25522	5.3
503.26709	2.6
513.25055	2.5
521.27618	69.5
522.00476	1.9
522.27954	7.9
531.25940	6.1
538.27545	2.5
549.27197	25.1
550.27344	4.7
566.26495	2.4
567.28168	55.8
568.28320	5.6
591.28217	31.5
592.28827	4.0
609.29242	78.6
610.29620	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00487	1.2
57.03441	2.3
59.01140	1.2
59.01382	12.1
60.99315	15.2
61.98835	53.6
71.01393	7.2
71.32502	1.4
72.31441	1.1
72.99319	1.3
73.02948	2.1
75.00867	1.6
78.91914	1.4
78.95882	1.4
81.03428	1.1
82.95408	4.2
83.01403	3.7
85.02950	3.3
87.00883	3.0
87.95322	1.3
88.98810	100.0
89.02432	4.0
93.03465	1.6
96.95988	2.4
97.02940	3.5
101.02416	3.8
103.01495	3.2
109.02953	2.1
111.04513	1.6
113.02432	2.1
121.02999	1.3
123.04572	1.8
125.02443	11.1
126.02799	1.5
131.03549	1.4
137.02457	12.9
138.02777	2.1
142.82280	1.2
146.03764	1.2
146.26233	1.2
149.02426	1.3
151.04019	1.7
155.03487	1.3
161.04611	1.4
164.01144	2.3
165.01904	5.9
166.02333	1.3
167.03471	4.0
179.03487	2.8
183.87964	1.2
191.05609	2.9
209.11868	1.9
255.02945	1.9
269.30075	1.4
271.02441	1.5
271.13245	2.3
300.02786	3.1
315.25403	3.0
337.14371	1.3
357.26208	1.7
379.15750	1.7
381.17377	2.8
417.25006	3.8
447.20056	4.4
519.31805	14.5
521.26855	1.7
542.21130	1.8
543.22430	2.2
549.29236	1.5
568.72864	1.9
573.23621	13.2
574.23767	3.6
609.14233	3.1
609.25153	2.7
609.36115	6.8
623.42395	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40074	1.2
54.22033	1.2
55.01881	3.1
57.03450	3.0
58.17180	0.9
58.93393	0.9
59.01090	2.2
59.01385	38.9
59.21638	1.1
59.89746	1.1
69.78394	4.6
71.01387	51.4
72.99297	1.5
73.02950	19.1
83.01395	7.5
85.02514	1.0
85.02957	25.8
85.46040	1.1
87.00895	1.2
89.02451	5.9
93.03480	1.1
95.01405	4.0
97.02986	1.9
99.00897	9.1
100.66365	1.1
101.02454	34.9
104.54480	1.0
107.01366	1.0
113.02465	22.3
125.02492	3.3
131.03529	21.3
143.03519	3.0
145.02983	1.5
151.00356	1.5
159.03000	4.3
161.04584	30.7
191.05630	3.3
225.68875	1.1
255.03003	2.4
271.02570	6.6
283.02441	2.5
283.59106	1.3
285.03940	2.0
299.02032	8.3
300.02701	3.0
301.03577	10.1
417.24966	100.0
418.25305	8.0
447.09262	3.3
461.23672	2.1
462.08127	3.1
463.09024	2.9
549.29205	65.0
550.29407	10.5
587.57159	1.1
609.14380	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01908	2.9
57.03445	3.6
59.01385	82.2
61.98840	87.0
62.50167	3.1
62.64337	2.8
69.00318	32.4
71.01390	78.2
72.99333	4.7
73.02967	13.0
73.28021	3.3
76.05935	2.4
76.63753	2.5
78.95923	5.3
78.98615	3.5
79.95769	6.3
80.96529	34.4
82.95449	3.8
83.01371	8.3
85.02956	21.0
87.00901	6.0
89.02457	78.6
92.42690	2.9
94.98109	5.0
95.01389	3.4
96.96023	25.7
96.96976	7.2
97.02968	5.5
98.95608	19.2
98.96420	3.1
99.00880	20.8
99.04533	38.2
101.02457	48.7
103.52079	2.8
109.02991	5.3
113.02425	25.5
119.03529	12.0
122.97604	6.7
125.02452	18.5
129.01978	4.0
131.03525	40.9
137.02473	9.2
143.03522	8.7
146.49214	3.2
148.99129	3.4
149.04575	45.8
152.98643	6.0
161.04597	10.8
164.01118	3.5
164.98633	5.4
165.01955	8.5
179.05649	6.3
191.05594	26.4
218.44052	2.9
225.00777	12.0
255.19405	3.6
271.02539	5.8
293.08777	5.0
300.02783	7.9
311.09668	5.1
363.54352	3.1
417.24973	100.0
418.25299	9.4
535.85455	3.4
549.29193	40.6
550.29205	5.1
584.99890	3.2
609.16034	3.4
609.25732	46.8
609.35010	3.2
610.26404	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19101	0.7
54.10229	0.7
55.01868	2.4
57.03437	2.8
58.00610	1.1
59.01384	36.7
61.98841	5.0
69.03446	0.8
69.32536	1.5
69.32951	4.4
71.01385	41.9
71.39414	0.8
72.99287	1.6
73.02950	15.6
75.00885	2.0
79.71875	0.8
81.03445	0.9
83.01396	8.4
85.02956	20.9
87.00868	3.1
89.02440	10.4
95.01393	3.6
97.02956	1.7
99.00882	7.8
101.02449	39.7
107.01384	2.2
111.00904	1.4
113.02466	17.7
114.02773	0.9
115.00381	9.5
121.02987	1.7
125.02460	6.1
129.01968	0.9
131.03488	6.1
143.03506	5.4
149.04550	2.5
151.00372	4.9
152.01183	1.3
159.03033	4.0
161.04572	13.1
173.04524	1.1
178.99864	3.2
186.85294	0.7
190.03197	0.7
191.05656	2.7
207.48788	0.8
212.50761	0.7
227.03383	1.4
229.04854	1.0
233.06763	1.0
243.02901	1.0
255.02948	3.8
255.15976	1.6
255.19858	0.9
256.03665	1.5
259.06116	1.4
261.06027	0.8
269.04608	1.1
271.02444	5.6
278.13144	0.9
279.07217	2.1
284.03317	5.0
285.03983	9.8
287.05569	2.6
293.08942	1.1
299.02313	1.6
299.05594	12.3
300.02820	9.6
300.06012	1.7
301.03482	13.5
302.03809	1.4
315.01511	1.5
356.13364	1.0
403.19559	1.9
417.24963	100.0
418.25345	8.8
549.29175	89.9
550.29529	9.7
591.13434	3.8
592.14111	1.2
609.15204	5.2
609.31183	1.1
610.15070	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.4
57.03453	3.7
59.01386	50.0
61.98840	3.5
69.04160	9.3
71.01390	41.7
72.99311	2.4
73.02955	11.0
75.00878	1.2
79.09869	1.1
83.01402	3.8
83.05052	1.3
85.02956	17.1
86.94954	0.9
87.00896	2.1
89.02448	24.7
89.02964	1.6
95.01415	2.8
97.02966	3.5
99.00900	6.1
101.02454	31.9
113.02458	17.3
113.03187	1.7
119.03510	5.5
125.02474	3.7
129.01952	1.2
131.03522	8.8
143.03523	3.6
149.04581	9.8
151.00418	1.2
159.03004	3.3
161.04579	13.7
178.99960	1.8
179.05643	1.7
183.30432	1.0
191.05688	7.0
233.06619	1.4
255.02876	1.7
269.04465	1.7
271.02545	3.3
287.05734	1.6
293.08829	3.5
300.02777	3.3
301.03531	1.3
417.24966	100.0
418.25394	8.8
423.24036	2.4
451.23669	4.7
461.23965	2.8
549.29175	74.3
550.29639	7.6
576.07117	1.3
609.14740	2.9
609.27905	1.1
610.14886	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53255	1.8
55.01896	2.4
57.03453	4.7
57.85191	1.8
58.00604	2.0
59.01381	64.3
60.09661	2.3
61.98834	48.0
65.00317	4.2
70.39622	1.8
71.01386	62.4
71.31715	3.2
72.99317	5.1
73.02949	14.4
74.54209	1.8
74.99106	4.3
82.34196	1.9
83.01395	8.6
85.02958	26.5
87.00903	4.8
88.98807	3.1
89.02454	31.0
93.03465	4.3
95.01406	5.4
96.95998	4.0
97.02996	2.2
99.00890	9.0
101.02453	40.6
107.01411	4.2
108.02203	2.0
109.02962	4.6
111.00911	2.3
113.02461	20.8
119.03505	8.9
121.02987	3.5
124.01641	2.3
125.02458	20.8
131.03514	12.5
133.02969	2.3
135.04552	2.7
136.99153	2.8
137.02451	3.0
143.03452	3.4
149.04601	7.4
151.00377	15.6
151.04007	3.0
152.01164	10.5
159.03015	3.4
161.02481	2.6
161.04570	23.5
163.00420	2.9
165.01932	4.5
178.99878	12.7
179.05602	2.5
189.47594	2.3
191.05684	7.0
227.03520	2.4
243.02940	5.6
243.06560	3.3
255.02975	15.0
259.06110	32.2
269.04611	8.5
271.02502	29.4
285.04062	16.4
286.04352	2.5
287.05588	34.6
288.05939	3.4
299.02121	4.5
300.02728	45.5
301.03519	56.3
302.03918	3.4
411.20502	2.3
416.23691	2.8
417.24905	100.0
418.25256	7.1
427.19879	3.2
447.09393	4.4
447.21271	3.4
549.29187	56.5
550.29156	6.1
591.13641	14.1
609.14655	18.2
609.23853	3.0
610.14758	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38428	0.7
54.01893	0.8
55.01871	2.5
57.03442	2.8
58.00589	1.5
59.01385	45.7
61.98834	1.3
69.25164	1.5
69.25574	3.4
71.01390	47.6
71.75442	0.7
72.99290	0.9
73.02950	18.4
75.00893	1.9
83.01411	7.0
85.02962	21.9
87.00868	2.8
89.02442	5.5
95.01379	3.1
97.02933	1.5
99.00893	8.5
101.02452	36.0
109.02956	0.9
111.00922	1.1
113.02458	21.1
119.03455	1.3
125.02442	3.4
129.02034	0.7
131.03516	27.9
132.03787	0.8
138.22919	0.8
143.03488	2.2
159.03008	5.0
161.04570	27.6
162.04945	1.2
166.90070	0.7
191.05594	2.0
231.65797	0.7
235.97150	0.7
263.02362	0.7
301.03427	0.9
417.24973	100.0
418.25317	8.8
461.24280	1.2
549.29242	44.5
550.29895	4.6
609.12738	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.3
57.03447	1.9
59.01385	27.9
61.98832	2.0
69.50013	3.1
69.50442	3.5
71.01386	35.8
72.99310	1.2
73.02353	1.0
73.02950	9.2
75.00901	1.5
83.01393	5.6
85.02963	13.1
87.00887	3.5
88.98824	8.5
89.02448	16.0
95.01382	2.0
97.02983	1.9
99.00883	2.4
101.02454	23.5
111.00889	1.9
113.02477	12.7
115.04025	1.2
119.03552	1.6
125.02461	5.6
131.03511	8.5
137.02512	1.1
143.03523	2.1
149.04568	3.7
151.00455	1.2
159.02971	2.3
161.04553	12.9
165.01959	1.2
191.05684	2.6
233.06729	1.4
255.03137	2.8
271.02649	1.2
283.02551	3.2
293.08832	1.4
417.24905	21.2
418.25180	1.9
549.29205	100.0
550.29626	12.0
593.28418	1.8
609.27118	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25276	1.5
90.25169	1.9
99.92582	2.7
116.92877	2.5
145.95361	1.7
222.30331	2.3
223.17056	13.5
253.08852	2.0
268.03806	3.9
269.08221	2.2
281.08218	6.2
294.08932	2.2
296.10608	2.8
297.07684	6.1
309.07718	15.6
310.08209	2.5
323.09079	5.3
324.10086	17.9
325.07126	7.0
325.10834	6.6
327.12320	2.2
339.12326	24.8
340.09427	4.9
340.13058	4.0
354.14740	17.6
355.11844	34.1
355.15659	3.6
356.12064	2.9
369.13431	2.0
370.14102	10.7
385.16586	100.0
386.16931	11.6
609.22559	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68284	0.8
55.01882	0.9
58.98084	0.8
59.01385	14.4
61.98835	53.4
63.99255	0.9
71.01392	12.0
72.99325	0.8
73.02953	2.1
78.91894	1.2
78.95493	0.7
78.95896	4.4
80.91679	3.1
80.96507	1.1
82.95390	0.9
83.01392	2.0
85.02966	4.4
87.00900	3.1
89.02445	5.8
94.98083	1.9
96.96045	2.0
96.96953	1.4
97.02942	1.2
98.21789	2.8
99.00914	2.0
101.02464	6.8
107.01420	0.9
113.02475	3.0
125.02479	1.3
131.03503	7.4
131.87531	0.9
140.48401	0.9
141.12814	1.9
143.03510	1.2
152.99629	2.1
171.10339	2.0
191.05617	5.8
208.92870	0.9
209.11836	2.3
209.28183	0.9
241.01303	1.2
255.03098	1.4
271.02515	3.2
297.24417	7.8
298.24756	1.1
300.02811	3.9
301.03467	1.6
313.23819	2.4
315.25406	27.0
316.25763	2.3
459.29846	1.5
477.30679	8.5
478.31381	1.7
609.14313	2.9
609.26752	4.7
609.35010	100.0
610.14392	1.2
610.35229	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10371	0.2
57.60946	0.2
59.01384	0.3
61.98834	100.0
67.26942	0.2
70.59046	0.2
78.62317	0.2
84.94648	0.2
87.00880	0.2
88.98802	1.1
94.25168	0.2
151.00465	0.7
228.88156	0.2
255.03047	0.7
256.03510	0.7
271.02530	1.6
272.02789	1.6
285.04193	0.3
300.02750	3.3
301.03131	3.7
302.03915	1.3
384.89676	0.3
385.15259	0.4
418.22003	0.2
524.21484	0.3
571.73895	0.3
599.44806	0.3
610.14960	6.3
611.15192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10371	0.2
57.60946	0.2
59.01384	0.3
61.98834	100.0
67.26942	0.2
70.59046	0.2
78.62317	0.2
84.94648	0.2
87.00880	0.2
88.98802	1.1
94.25168	0.2
151.00465	0.7
228.88156	0.2
255.03047	0.7
256.03510	0.7
271.02530	1.6
272.02789	1.6
285.04193	0.3
300.02750	3.3
301.03131	3.7
302.03915	1.3
384.89676	0.3
385.15259	0.4
418.22003	0.2
524.21484	0.3
571.73895	0.3
599.44806	0.3
610.14960	6.3
611.15192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10371	0.2
57.60946	0.2
59.01384	0.3
61.98834	100.0
67.26942	0.2
70.59046	0.2
78.62317	0.2
84.94648	0.2
87.00880	0.2
88.98802	1.1
94.25168	0.2
151.00465	0.7
228.88156	0.2
255.03047	0.7
256.03510	0.7
271.02530	1.6
272.02789	1.6
285.04193	0.3
300.02750	3.3
301.03131	3.7
302.03915	1.3
384.89676	0.3
385.15259	0.4
418.22003	0.2
524.21484	0.3
571.73895	0.3
599.44806	0.3
610.14960	6.3
611.15192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.5
61.98836	100.0
62.98538	0.2
63.99244	0.1
71.01393	0.2
79.60751	0.1
82.95436	0.2
88.35371	0.1
88.98824	0.1
89.02410	0.2
98.03825	0.1
98.21779	0.4
98.83018	0.1
101.02458	0.2
103.01534	0.1
109.01907	0.1
123.04538	0.2
125.02495	0.4
145.03029	0.4
151.03984	0.2
157.21024	0.1
166.87767	0.1
173.09737	0.1
189.29826	0.1
191.05734	0.2
209.11909	0.1
225.02696	0.1
229.42703	0.2
249.97461	0.1
255.02939	0.1
256.55414	0.1
370.34998	0.1
428.36249	0.1
547.18066	0.3
610.15027	0.2
610.31866	0.1
611.15826	0.2
611.33527	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
64.77864	0.4
68.99600	0.4
71.31252	0.6
79.65009	0.4
82.95436	0.9
83.62426	0.4
85.88332	0.3
92.86333	0.4
102.05646	0.6
108.12575	0.5
116.92889	0.5
143.28613	0.4
376.44412	0.4
593.23480	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
64.77864	0.4
68.99600	0.4
71.31252	0.6
79.65009	0.4
82.95436	0.9
83.62426	0.4
85.88332	0.3
92.86333	0.4
102.05646	0.6
108.12575	0.5
116.92889	0.5
143.28613	0.4
376.44412	0.4
593.23480	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67409	0.1
61.98835	100.0
62.98550	0.2
69.01597	1.4
72.99332	0.1
75.00900	0.2
78.95916	0.4
85.00465	0.3
96.96073	0.2
98.22301	0.7
99.04539	0.1
152.99675	0.2
161.92163	0.1
191.05586	0.2
218.81712	0.1
352.88962	0.2
473.12344	0.2
473.18039	0.7
499.19931	0.2
531.22510	0.7
575.21509	1.0
610.27295	0.6
611.27759	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.01384	1.9
61.70840	0.3
61.98833	100.0
69.03451	0.3
71.01382	0.3
78.95908	3.1
82.95418	0.3
85.00422	0.6
96.96051	0.3
96.96987	0.7
99.04528	2.3
113.09769	1.0
115.04063	0.6
137.06123	0.4
152.99606	1.7
155.26453	0.2
159.22348	0.3
164.83626	0.4
167.10785	0.3
168.04367	0.6
171.10442	0.3
191.05659	0.5
195.13831	1.2
201.20883	0.3
220.07745	0.3
223.13417	1.9
224.06912	0.4
228.86855	0.3
241.01387	0.3
242.08124	0.8
254.28426	0.3
293.21246	9.9
294.21603	0.5
295.22916	0.3
307.23041	0.8
386.11847	0.3
448.21490	0.7
509.19916	0.3
518.28729	0.4
536.29871	0.4
546.20923	0.3
610.14691	0.3
610.26660	0.4
611.28754	0.6
638.27063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98824	25.2
68.63712	5.5
69.03458	12.8
69.17719	44.8
71.04995	5.4
79.66879	5.3
82.95428	10.6
83.05048	39.6
83.89342	5.2
85.02979	5.3
97.02959	12.8
99.04539	13.4
113.02475	9.8
125.02431	8.6
127.04020	33.7
128.07716	7.0
137.06133	10.2
153.05602	15.0
277.21439	6.3
295.05380	6.8
316.82007	5.8
369.16931	11.6
393.20667	9.4
397.20032	7.1
401.24814	8.5
435.51178	5.7
463.25024	12.7
489.22742	8.0
507.23697	28.4
525.24835	25.0
544.66168	6.6
567.25916	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	27.8
61.98837	100.0
65.31011	1.6
69.03445	2.1
70.10844	1.6
71.01369	4.3
73.02953	1.8
78.91880	7.7
78.95906	7.8
80.96526	5.2
81.96555	1.5
83.05039	13.1
85.02955	2.4
95.05062	1.5
96.96011	5.9
96.96989	4.2
97.02986	4.3
98.22189	9.7
113.02443	4.5
122.03676	1.6
122.96749	1.4
125.02434	2.5
127.04024	7.6
137.06102	3.6
153.05545	3.6
166.98460	1.5
169.12347	1.7
191.05600	4.0
195.10410	1.9
197.11897	3.4
211.13376	4.2
229.52469	1.6
250.81230	1.4
293.21323	3.2
307.17212	2.3
311.22330	17.8
369.17117	4.4
393.20844	2.6
413.19818	3.7
429.27200	1.6
463.25006	2.0
489.22717	6.2
507.23749	10.4
508.24127	2.3
513.21307	2.9
525.24854	16.6
526.25183	3.7
529.20142	1.9
536.29889	25.7
537.30145	2.9
567.25940	30.4
568.26184	6.4
575.21649	2.5
610.26257	6.9
610.35742	2.2
611.26990	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	10.1
67.54128	8.9
69.02927	100.0
69.28891	8.9
78.95935	17.7
98.21796	17.3
293.67368	9.7
538.42731	10.7
611.19183	22.9
612.18640	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.1
61.98840	5.9
64.07639	0.9
70.36443	1.7
71.01376	3.8
71.95703	0.9
85.02956	2.1
89.02459	1.8
93.03471	1.3
101.02460	2.4
107.01403	2.0
113.02459	1.4
151.00357	1.2
163.00339	1.3
185.06087	1.8
187.04053	1.9
211.04007	2.2
213.05598	1.3
227.03510	21.2
229.05058	7.9
235.23853	1.0
239.03566	1.6
241.05032	1.6
255.02995	31.1
256.03601	3.9
257.04529	4.6
284.03284	33.2
285.04071	100.0
286.04483	5.2
377.72073	1.1
395.14798	1.0
413.21814	17.4
414.22037	1.0
434.54913	1.0
462.15347	0.9
523.62500	1.1
575.14099	39.1
576.14807	5.4
611.24756	1.2
633.95056	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.6
61.98833	2.4
63.02402	0.5
64.26540	0.4
65.00337	0.8
66.36043	0.4
69.10690	3.4
72.99285	0.5
75.35662	0.4
83.01405	0.7
87.00893	1.2
93.03464	1.3
97.82622	0.4
98.22591	0.7
98.55511	0.4
107.01372	2.3
109.02961	2.7
109.06651	0.7
119.05040	16.2
120.05345	0.6
121.02963	2.0
125.02457	1.0
133.02965	1.0
135.00850	0.6
145.02989	0.5
147.00797	0.4
148.01685	0.7
149.02449	1.5
151.00389	6.8
159.04597	0.6
161.02419	0.9
163.00401	2.1
171.04475	0.5
176.01189	0.5
177.01964	2.1
178.99883	2.9
183.04512	0.5
185.06175	0.4
187.04007	1.5
188.01135	1.0
189.01901	0.9
190.02611	0.8
191.05551	0.7
193.01474	0.5
199.04018	1.2
201.02043	0.5
203.03436	0.4
205.01303	0.6
211.04012	1.5
216.86270	0.4
217.01414	0.4
220.22440	0.4
226.02727	1.8
227.03561	1.9
228.26526	0.4
229.04964	2.1
239.03517	0.6
240.04422	0.6
241.04976	0.5
242.02155	0.6
243.03020	7.5
244.03589	0.6
253.04889	0.8
254.02283	2.7
255.02991	9.6
256.03549	0.8
259.86115	0.4
269.04541	4.0
270.01672	0.8
270.05093	0.5
271.02499	35.5
272.03073	3.7
273.03864	0.9
280.03653	0.6
281.04578	1.6
283.02499	4.5
283.05682	0.7
284.03064	0.8
285.04056	0.9
297.03989	3.2
298.04678	0.8
299.02002	7.3
299.05173	0.5
300.02774	46.2
301.03522	32.4
302.03754	1.8
311.02032	1.2
326.04321	9.3
327.05109	6.9
328.05539	0.5
335.25015	0.5
343.04605	1.1
363.08847	1.2
391.08310	1.1
405.05823	0.7
420.08554	2.0
421.09192	0.8
447.09354	100.0
448.09650	10.1
465.08115	0.6
473.10925	16.8
474.11124	2.0
567.14990	1.1
611.14130	7.8
611.23492	2.0
612.14563	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.0
59.01374	2.3
61.98833	7.8
63.02397	1.6
65.00314	2.6
69.11827	2.9
69.12246	4.2
72.99313	0.8
73.02953	1.2
81.73135	1.0
83.01381	2.1
83.05027	0.9
89.02449	1.1
91.23087	0.9
93.03474	1.9
98.21723	1.4
102.37796	0.8
107.01410	7.6
108.02148	1.1
109.02972	2.4
121.02980	4.8
125.02444	1.4
133.21138	0.8
137.02490	1.0
137.06091	0.9
141.74451	0.8
149.02382	1.3
151.00380	31.6
153.09247	2.4
163.00386	3.6
164.01193	1.1
173.04553	1.2
178.99883	15.2
191.05571	1.9
197.08206	1.4
199.04012	1.7
203.03564	1.2
211.03987	1.9
226.02742	1.4
227.03456	3.5
229.05151	1.6
243.02969	6.5
245.04610	2.1
255.03017	20.9
256.03574	2.4
271.02487	41.4
272.02921	3.5
273.04062	2.0
283.02612	1.9
285.04037	2.4
299.02026	6.8
300.02765	83.3
301.03528	89.3
302.03952	5.8
313.03574	3.1
314.04257	2.4
326.08023	1.3
341.10522	1.7
346.03442	1.8
373.12634	1.5
413.21878	2.0
420.08447	1.6
421.09433	4.9
447.09396	100.0
448.09705	8.7
465.08243	14.4
466.08398	1.5
531.23547	1.1
551.29425	0.9
565.22717	7.5
567.15051	2.5
575.13281	1.5
575.21442	14.5
579.26025	0.9
611.14081	26.1
612.14099	3.0
636.97198	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.0
59.01374	2.3
61.98833	7.8
63.02397	1.6
65.00314	2.6
69.11827	2.9
69.12246	4.2
72.99313	0.8
73.02953	1.2
81.73135	1.0
83.01381	2.1
83.05027	0.9
89.02449	1.1
91.23087	0.9
93.03474	1.9
98.21723	1.4
102.37796	0.8
107.01410	7.6
108.02148	1.1
109.02972	2.4
121.02980	4.8
125.02444	1.4
133.21138	0.8
137.02490	1.0
137.06091	0.9
141.74451	0.8
149.02382	1.3
151.00380	31.6
153.09247	2.4
163.00386	3.6
164.01193	1.1
173.04553	1.2
178.99883	15.2
191.05571	1.9
197.08206	1.4
199.04012	1.7
203.03564	1.2
211.03987	1.9
226.02742	1.4
227.03456	3.5
229.05151	1.6
243.02969	6.5
245.04610	2.1
255.03017	20.9
256.03574	2.4
271.02487	41.4
272.02921	3.5
273.04062	2.0
283.02612	1.9
285.04037	2.4
299.02026	6.8
300.02765	83.3
301.03528	89.3
302.03952	5.8
313.03574	3.1
314.04257	2.4
326.08023	1.3
341.10522	1.7
346.03442	1.8
373.12634	1.5
413.21878	2.0
420.08447	1.6
421.09433	4.9
447.09396	100.0
448.09705	8.7
465.08243	14.4
466.08398	1.5
531.23547	1.1
551.29425	0.9
565.22717	7.5
567.15051	2.5
575.13281	1.5
575.21442	14.5
579.26025	0.9
611.14081	26.1
612.14099	3.0
636.97198	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.4
63.02390	1.4
65.00327	21.1
69.21093	9.0
71.01379	2.7
83.01401	8.9
84.44125	1.2
88.98790	1.3
101.02447	1.5
107.01398	23.8
109.02963	1.4
120.56073	1.0
123.04556	9.5
124.01704	1.5
125.01797	0.9
125.02484	9.4
133.02936	5.6
135.04524	5.6
146.13612	1.1
149.02473	2.7
150.03229	4.5
151.00375	100.0
151.04012	21.8
152.01212	6.3
155.05051	1.2
167.03412	1.4
169.01369	1.9
171.04558	1.9
175.03923	3.6
177.01892	2.5
178.99916	5.7
189.05450	1.6
199.04021	3.7
201.02086	1.7
213.05618	1.6
217.05042	1.9
241.05118	1.6
243.02998	1.2
257.04611	2.3
285.04056	79.9
286.04446	4.6
296.75568	1.2
302.04129	1.3
303.05060	3.9
316.02344	2.7
347.98740	1.2
459.15170	3.7
485.13065	3.5
562.01337	1.3
611.16180	20.9
612.16443	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1625
Annotation	Flavoplatycoside
Peak:m/z	Relative Intensity
53.90556	1.1
57.03447	5.3
57.11842	0.9
59.01379	5.4
61.98822	3.0
62.69544	0.9
69.03462	1.5
70.03070	3.6
71.01378	3.8
73.02943	4.4
79.62400	1.0
81.03463	4.3
83.01387	2.4
85.02989	2.0
87.00908	1.9
89.02452	3.1
93.03463	1.8
93.26395	1.0
95.05031	2.2
97.02962	1.8
98.22663	1.1
99.04535	3.2
101.02456	4.7
105.03481	1.2
107.01416	2.3
108.02206	1.0
109.02954	11.6
113.02460	1.5
117.98432	0.9
121.02979	8.3
123.00884	2.3
123.04546	5.9
124.01642	1.2
125.02463	32.6
131.03554	2.5
133.03012	1.4
135.04599	1.5
137.02448	18.8
138.03236	4.8
139.04001	1.3
142.88591	1.3
143.03490	2.7
143.05144	1.0
147.00795	1.1
149.02451	51.3
150.02847	1.4
151.00378	3.6
151.04027	5.4
153.01814	1.1
161.02452	5.9
163.00378	1.9
163.04031	2.1
163.06136	4.3
164.01183	10.4
165.01930	10.4
166.02731	16.6
167.03513	23.0
171.04550	1.4
174.03250	1.8
175.04001	13.2
176.01118	3.2
177.01930	4.9
178.99966	1.1
179.03592	1.1
185.06081	1.4
191.03589	1.9
192.00665	7.3
193.01410	4.1
197.06149	1.5
198.03261	2.3
199.04057	13.3
200.04622	1.3
201.01953	3.7
205.07152	2.2
209.04625	2.0
213.05647	2.7
215.03473	1.3
217.05040	10.5
226.02794	1.5
229.05083	1.3
241.05072	23.9
242.02350	2.0
242.05254	2.5
243.02997	7.4
257.04596	2.0
269.04614	1.9
285.04062	100.0
286.04474	5.7
289.07224	2.3
303.05115	8.7
303.08575	1.7
475.14587	44.6
476.14844	3.6
485.13101	8.1
501.12515	9.2
523.17120	1.2
611.16125	30.2
611.25842	1.8
612.16486	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08121	1.0
55.20290	1.1
57.03442	3.5
58.18605	0.9
59.01388	8.2
60.99320	5.5
61.98840	2.3
65.00329	18.8
69.02652	3.1
69.03059	7.6
69.03489	1.7
71.01393	3.8
71.05021	2.8
73.02952	7.6
83.01395	6.1
85.02969	2.0
87.00876	2.6
88.98812	37.7
89.02445	3.2
93.03440	1.5
95.01395	1.7
95.05016	1.1
97.02966	3.6
101.02527	2.2
103.85493	1.1
104.58717	1.2
107.01400	24.0
107.02088	2.1
107.05015	1.1
107.08662	1.7
109.02979	2.3
109.06600	13.7
110.60021	1.0
113.02457	1.8
119.03539	1.0
121.02976	2.6
121.06602	2.6
122.03751	2.0
123.04526	11.3
123.08157	1.4
125.02472	10.1
133.02942	4.5
133.06601	1.2
135.04555	6.0
135.08211	1.8
149.02411	1.6
149.06120	1.9
150.03268	4.5
151.00383	100.0
151.04010	21.8
151.07614	1.6
152.01022	4.4
153.01976	1.2
159.08218	1.6
161.06169	1.6
161.09778	2.7
163.07620	2.4
163.11296	18.2
164.11647	1.4
167.03499	1.3
167.07198	1.5
169.01480	1.3
173.02441	1.5
175.04068	2.7
176.01105	1.7
177.01955	3.0
177.09192	2.9
178.99873	6.2
180.04347	1.4
181.12296	2.7
185.06070	1.3
191.05661	2.1
195.06656	9.6
199.04041	3.4
207.10309	6.4
213.05641	1.8
217.05020	1.5
225.11278	5.9
235.13345	1.7
241.04982	2.5
244.07306	1.3
257.04483	1.7
258.98599	1.1
269.04538	4.6
269.10513	1.1
279.12488	1.5
285.04062	79.6
286.04388	5.6
292.18561	1.2
303.05206	1.9
316.02328	1.5
459.15063	4.9
460.15024	1.2
485.12946	3.3
537.19592	1.5
548.45734	1.1
549.23346	5.1
551.27667	1.6
567.24609	4.0
593.22632	3.0
611.15491	13.1
611.23450	69.1
612.15259	2.0
612.24445	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.9
57.91669	0.8
58.00603	0.8
59.01379	3.1
61.07583	0.8
61.98825	0.8
63.02412	1.4
65.00324	19.0
65.08928	0.7
65.15707	0.8
66.25249	0.7
71.01393	1.8
71.29067	1.1
83.01398	9.6
87.00876	0.9
88.98844	1.5
100.09541	0.8
101.02479	1.2
107.01389	23.1
109.02969	1.6
111.00909	1.3
116.96629	0.8
121.02963	1.1
123.04540	5.0
124.01661	3.5
125.02456	8.3
126.82277	0.8
131.03601	1.1
133.02979	6.6
135.04536	3.4
137.02458	1.9
149.02443	1.8
150.03238	16.4
151.00375	91.0
151.03992	8.8
152.01199	10.5
161.02406	1.6
163.04106	1.0
163.06155	1.0
165.01880	0.9
167.03503	0.9
168.76695	0.9
169.01460	1.0
171.04523	1.3
175.03972	4.4
176.01225	1.2
177.01892	1.3
178.99866	18.2
180.00238	1.3
197.06064	1.3
199.04048	4.6
201.01985	1.1
205.05054	1.1
214.02719	1.1
215.03647	1.2
217.05055	1.3
219.02950	1.0
229.05067	1.4
241.04993	1.8
242.02112	1.0
243.02748	0.8
245.29671	0.9
257.04657	3.9
267.03033	1.0
270.01529	1.0
271.02496	5.0
285.04065	100.0
286.04410	6.6
287.02078	1.9
289.07339	1.0
302.04388	3.7
316.02209	14.4
316.05597	1.5
317.02725	1.6
349.22809	0.9
417.83829	1.0
459.15082	3.6
485.12991	4.0
611.16296	26.4
612.15814	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58142	0.6
57.03443	1.0
59.01385	4.8
60.99308	1.0
61.98828	1.1
64.99985	1.0
65.00326	17.5
70.28861	0.9
70.29221	1.3
71.01394	3.9
71.50352	0.5
72.99326	1.1
73.02946	1.7
83.01393	6.4
83.41976	0.4
85.02941	1.2
87.00878	1.1
88.98820	5.3
89.02453	2.1
93.03468	1.0
93.47524	0.4
95.01385	1.5
101.02434	2.7
101.55968	0.5
103.04024	1.1
107.01402	20.7
108.01698	0.7
109.02953	1.8
111.00911	0.7
113.02435	1.1
113.92706	0.5
116.15267	0.4
119.03498	0.5
121.02966	10.6
122.03782	0.6
123.00879	0.5
123.04512	1.5
124.01699	2.4
125.02464	6.9
127.78881	0.5
131.03532	1.1
133.02985	6.1
135.04530	4.4
143.03549	1.5
145.03011	0.5
147.04555	0.7
149.02443	2.0
150.03242	13.8
151.00380	80.3
151.03928	2.8
152.01196	6.8
159.04474	1.2
161.02451	1.0
162.03065	0.6
163.06133	1.9
167.03522	0.7
169.01389	2.2
171.04541	0.9
173.02380	0.6
173.04616	0.8
174.03177	0.8
175.04019	4.1
176.01169	1.6
177.01817	0.6
178.99870	10.5
185.06099	1.3
187.03993	0.8
189.05646	0.8
191.05608	1.3
193.04973	0.6
197.06134	1.0
198.03178	0.6
199.04019	4.2
201.01843	0.7
205.05264	1.1
205.07195	1.2
206.76054	0.5
209.04547	7.3
211.04033	0.7
213.05618	1.4
215.03554	0.8
217.05051	2.0
229.05090	0.7
239.03481	0.6
240.04141	0.7
241.05092	2.5
243.03004	0.6
257.04568	1.9
267.02951	0.9
285.04065	100.0
286.04391	7.3
302.04330	2.0
459.15091	3.9
485.12952	2.0
551.27734	0.9
593.15454	0.7
611.16174	24.4
612.16309	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.9
59.01376	6.3
68.97864	11.2
71.01377	4.0
73.02956	4.1
79.97273	1.0
81.03464	4.1
83.01406	1.8
85.02978	2.1
87.00903	1.4
89.02472	1.6
93.03478	1.7
95.05022	2.2
99.04510	1.5
101.02460	4.1
105.03416	1.0
108.67653	1.0
109.02959	5.4
118.52442	1.0
119.05031	2.0
121.02969	4.1
123.04512	2.5
125.02451	27.4
131.03476	1.2
133.03017	1.7
137.02444	11.3
138.03217	3.8
143.03514	2.0
149.02449	34.3
151.04045	2.6
155.05023	1.6
161.02470	5.2
163.00430	2.2
163.06149	2.8
164.01186	8.6
165.01961	5.4
166.02747	10.6
167.03506	10.7
171.04512	2.1
174.03210	2.7
175.04045	17.2
176.01187	3.8
177.01920	3.1
179.03439	1.2
187.04018	1.4
191.03525	1.8
192.00676	7.2
193.01410	3.0
197.06256	1.2
198.03221	3.3
199.04025	17.4
200.04478	1.2
201.01967	2.9
205.07214	2.8
207.38281	1.0
209.04485	1.2
213.05519	2.8
215.03433	1.5
217.05045	13.9
226.02811	1.3
241.05075	35.1
242.02119	1.6
242.05354	1.0
243.02985	6.4
257.04636	1.5
259.05951	1.3
285.04056	100.0
286.04419	5.4
303.05148	1.7
323.13382	1.6
371.07840	1.2
475.14551	30.6
476.14685	1.5
485.12866	7.4
501.12253	7.2
611.16064	21.8
612.16620	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92577	2.7
57.03445	7.9
59.01392	25.4
61.98847	4.6
71.01392	37.9
71.29493	3.6
71.29861	3.6
73.02949	6.2
78.95879	3.2
79.66490	2.7
80.96518	12.3
83.01392	6.3
85.02957	100.0
88.98788	2.9
89.02452	27.9
95.01430	3.0
96.96045	5.4
97.02959	10.0
99.00883	5.4
101.02445	13.1
111.00867	2.8
113.02458	86.3
125.02460	56.8
131.03516	75.8
149.04576	17.9
168.92603	2.8
173.04570	5.4
179.03891	5.9
191.05623	9.2
247.93802	2.9
309.77280	3.5
323.09933	11.1
365.10913	11.8
425.13086	54.7
432.52762	2.8
551.15790	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40674	0.4
57.03434	1.8
59.01372	1.2
61.98564	0.5
61.98835	5.6
67.45219	0.4
71.01360	0.6
71.05018	0.8
72.99309	1.7
73.02957	4.1
81.03478	0.4
85.02921	1.0
87.00867	0.9
87.04562	0.6
89.02448	0.5
93.03471	0.9
94.34802	0.4
95.05011	0.7
97.02948	0.6
98.22004	2.4
99.04562	1.0
107.05043	1.7
109.02914	0.4
109.06590	1.3
111.04533	0.9
113.02435	0.6
121.02936	1.2
121.06590	1.6
123.04522	1.1
123.08185	0.5
125.06073	0.5
135.04529	1.1
137.06125	2.1
141.01979	0.5
145.06593	0.5
146.67398	0.4
147.04575	0.6
147.08156	0.5
149.06114	1.5
151.07680	0.5
151.40935	0.4
153.01970	0.7
159.04472	0.7
161.06064	1.0
161.09735	0.7
171.08328	0.5
173.06100	0.8
175.04057	0.9
175.07581	0.7
177.05579	1.3
177.09221	1.4
179.07182	0.5
179.10785	1.0
187.07651	0.6
189.05548	0.7
189.09229	0.8
191.05603	0.9
191.07182	0.6
199.07657	1.1
203.07199	0.5
205.08749	0.9
209.11781	0.5
213.05545	0.7
214.06274	0.7
217.08629	0.6
221.08237	0.6
221.11848	0.6
227.10822	0.7
229.12379	0.6
231.06624	0.8
231.10223	0.6
243.10146	0.8
255.10222	0.9
257.11789	0.5
261.11282	0.6
283.13431	1.0
289.10880	1.8
295.13519	0.5
301.14508	0.5
307.13123	0.5
315.12366	0.7
317.32425	0.5
327.12518	0.6
335.12686	0.8
335.78516	0.5
337.74347	0.4
349.14310	0.4
353.13855	0.7
363.14529	1.9
367.19058	0.9
375.15961	0.7
381.13495	1.4
393.17245	0.8
399.14429	2.6
411.18179	1.3
417.15662	0.6
425.23825	0.7
433.20236	0.6
437.16028	0.8
451.20840	0.5
455.17319	2.6
457.18878	0.6
461.14542	0.6
463.23676	0.7
473.18274	2.1
487.23230	0.6
495.20294	1.4
513.21405	2.8
514.22150	0.6
531.22473	5.2
532.22809	0.7
551.28284	0.7
557.20819	0.7
565.26648	1.3
575.21368	100.0
576.21759	12.6
611.19019	9.2
611.29236	1.0
612.19135	1.0
637.09680	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39004	0.9
57.03444	1.7
61.98832	2.7
69.21507	5.3
72.99306	0.9
73.02953	1.5
88.37041	0.7
95.05027	0.9
99.04525	1.6
107.05014	1.6
109.02989	0.8
109.06586	2.0
118.31850	0.8
120.39987	0.8
121.06599	1.6
123.04538	1.4
125.06133	1.5
127.07677	1.9
133.06656	1.0
135.04549	1.0
137.06091	2.0
139.07578	0.8
147.08281	0.9
149.06093	1.3
165.05592	0.8
173.09729	1.1
175.11258	0.9
177.05615	4.1
177.09187	0.8
187.11313	1.2
189.09273	1.9
191.07225	1.0
191.10846	1.2
195.06682	2.2
215.10765	1.1
217.08736	2.9
221.08139	1.1
229.12527	0.8
235.09831	1.2
305.92804	0.8
315.12485	1.5
329.44205	0.8
389.21564	0.9
393.17245	1.3
395.14905	0.9
413.15829	1.0
433.19952	1.1
435.18341	1.1
453.19186	1.2
454.33240	0.9
495.20239	3.4
497.18015	1.9
499.98895	0.8
513.21344	4.9
515.19165	9.8
515.94568	0.7
516.19495	1.0
531.22308	7.7
532.22559	1.0
533.20306	5.4
557.20056	1.8
575.21295	13.5
576.21460	1.3
585.65649	1.0
611.19012	100.0
612.19403	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29502	1.3
57.03455	2.8
59.01371	6.5
61.98516	2.6
61.98834	47.4
69.21941	3.9
69.22341	6.5
71.01366	3.4
73.02944	7.2
85.02945	3.7
89.02451	3.0
95.25824	1.3
101.02425	3.3
107.05095	1.6
121.02974	2.0
123.04504	1.4
137.06059	2.2
161.09735	2.1
179.05612	1.8
191.05576	2.5
197.06117	2.7
203.07115	2.0
215.07076	2.2
253.08755	1.4
269.18546	1.6
285.04321	2.2
289.10922	2.0
335.12601	2.2
375.15677	2.5
381.13419	2.1
393.17142	2.4
419.26355	2.8
437.16287	2.4
455.16968	5.5
457.18951	1.6
473.18063	3.0
495.19968	1.6
501.21268	2.0
513.21448	6.2
531.22272	4.3
557.20459	5.5
575.12231	1.9
575.21350	85.0
576.21484	9.6
611.18994	100.0
612.19379	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27971	0.8
59.01378	1.3
61.98836	8.2
71.01394	2.6
72.99324	1.8
73.02944	3.5
85.02930	0.9
87.00871	4.8
89.02444	3.5
95.33511	0.9
99.04471	0.8
107.05049	1.1
109.06611	3.5
109.13783	0.8
111.08163	1.3
121.06643	1.4
123.04513	1.2
123.08192	2.2
125.06081	1.2
135.08159	1.8
137.06116	3.5
149.06035	1.5
151.07706	2.5
161.06018	1.5
163.07664	1.5
165.05627	1.7
167.07175	1.0
173.09737	1.3
175.07672	1.3
177.05563	2.1
177.09227	1.9
179.07104	2.5
189.09171	1.1
191.07152	2.5
193.08629	1.1
209.08223	2.0
217.08719	2.5
235.09673	2.1
272.56317	0.9
296.09201	1.3
297.09915	2.7
349.18118	1.1
433.20105	1.4
435.18063	1.5
469.22208	1.8
470.23093	1.1
487.23828	1.1
495.20096	2.7
497.18323	1.4
513.21613	5.3
515.19275	8.9
527.73584	0.9
531.22223	8.3
533.20251	8.2
557.20325	2.4
575.21423	17.6
576.21747	1.6
611.19025	100.0
612.19489	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	7.3
61.98831	2.5
62.27997	0.8
63.97330	0.9
68.99574	1.3
71.01369	1.4
75.00877	25.0
78.95950	1.4
87.00885	2.8
89.96152	1.0
95.49233	0.9
96.96040	2.3
98.21827	2.2
99.00893	2.3
99.04543	1.0
99.92586	11.4
101.02449	3.0
101.50618	0.9
112.98574	1.9
114.16511	0.8
115.00413	0.9
116.92870	100.0
116.97255	1.1
117.01968	10.6
117.05609	2.8
117.92893	5.0
143.31508	0.9
191.24992	1.1
196.52988	0.9
250.19519	1.2
334.75443	0.9
474.22656	1.1
503.91083	1.0
531.78058	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22403	0.9
59.01361	1.4
61.94206	0.9
61.98834	8.5
74.83101	1.1
75.00874	1.9
82.95399	2.2
83.00132	1.0
96.96011	2.4
98.21909	1.1
99.92591	10.1
100.76027	1.0
116.92874	100.0
116.97297	1.2
117.01971	2.4
117.92882	4.3
448.45749	1.2
483.42337	1.6
603.54303	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33847	1.2
56.59553	1.7
58.00588	4.4
59.01382	100.0
61.98835	10.5
69.00817	3.9
69.01231	8.8
71.01389	18.1
72.99313	2.5
73.02953	2.1
76.33549	1.4
83.01367	1.5
85.02947	4.2
87.00857	3.1
89.02448	20.6
94.28532	1.5
98.22490	3.0
101.02460	10.1
109.02983	2.8
113.02452	6.4
119.03492	9.8
121.02974	3.5
123.00926	1.9
124.01679	2.5
125.02448	2.8
137.02466	5.1
138.03244	2.4
139.04031	4.6
149.02452	3.1
151.00404	7.6
151.04047	3.4
152.04800	2.7
153.01984	1.9
153.05548	3.2
155.22318	1.6
161.04532	2.0
163.00433	8.9
165.01965	3.9
166.02753	4.7
175.03979	2.3
177.01913	16.8
178.02736	13.8
179.03503	5.8
181.05020	3.5
183.06651	3.5
189.01959	2.7
192.04214	7.1
193.01424	6.7
193.05057	19.5
194.02075	1.5
194.05705	2.9
195.02910	4.2
195.06717	2.0
199.04036	1.9
207.06561	1.6
208.03745	6.1
210.05344	2.6
223.06122	14.0
225.05641	2.9
225.07687	32.9
229.04880	1.6
233.04652	1.6
239.05664	3.1
267.02914	1.7
269.04575	2.2
283.02451	2.7
285.04056	5.4
295.06027	1.7
297.03955	2.8
298.04871	6.4
306.87787	1.6
309.03867	2.0
310.08545	2.0
311.05615	3.7
312.06314	3.9
313.03925	2.3
313.07263	11.8
325.07239	5.3
326.08008	3.4
327.08679	7.1
328.05954	2.2
328.09430	4.9
329.06619	3.0
340.09293	3.5
341.06726	6.9
341.10425	4.4
342.11111	5.3
343.08167	4.4
344.12579	1.9
353.06711	1.8
356.09070	5.7
357.09668	1.7
357.13589	4.7
359.15091	10.0
368.08716	2.6
371.07526	6.6
371.11450	6.0
371.15131	6.3
372.11804	2.0
383.11444	3.9
385.09326	2.7
386.10233	4.4
400.11499	7.0
401.12723	30.3
402.12903	2.1
413.12497	4.3
416.11087	2.4
431.13474	70.1
432.08673	1.8
432.13599	9.4
449.14624	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	6.6
59.01379	8.6
61.98836	5.4
65.00305	2.6
69.21637	7.6
69.22063	8.5
71.01369	4.7
72.99308	8.8
74.57608	2.1
83.01382	2.7
85.02924	3.0
88.98807	3.0
89.02460	4.9
93.03484	2.4
98.22637	2.3
106.33270	2.5
107.01377	4.3
108.02197	3.4
109.02983	8.2
117.03455	4.7
120.10992	2.3
121.02971	9.8
122.03750	3.4
123.04539	12.7
125.02466	15.4
135.04477	4.7
137.02493	3.7
145.02995	12.1
146.03674	3.7
147.04552	5.4
148.01683	8.2
149.02472	6.9
150.03229	4.7
151.00392	30.9
151.04030	12.4
152.01120	3.6
153.05566	4.4
161.02477	15.8
162.03178	16.6
163.00429	3.1
163.04007	22.8
165.01926	4.8
166.02701	5.8
174.76379	2.4
175.04008	2.6
177.01869	3.2
177.05603	3.6
178.02715	5.6
178.99811	5.3
180.04317	4.7
181.05125	3.9
192.00778	2.4
193.05106	13.2
194.05792	4.5
195.06650	100.0
196.07019	4.1
209.04611	3.8
209.11858	4.2
215.03488	4.9
221.08250	3.0
229.05255	2.3
243.02892	2.9
257.04837	2.8
259.09778	4.3
263.08911	2.7
269.14032	7.5
271.02451	3.1
285.03998	14.6
289.07245	5.5
301.03491	20.8
307.75360	3.0
345.13437	6.6
346.71350	2.6
389.12439	44.6
390.12598	3.9
449.20389	3.9
542.20361	2.5
593.22223	3.3
611.21729	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58104	1.8
56.17329	2.1
61.98834	4.5
66.08618	1.9
69.03468	3.4
69.20421	13.0
71.05030	11.2
99.04527	100.0
100.04868	2.3
102.21300	2.1
110.52841	2.2
115.04029	32.9
209.11838	2.1
253.05040	2.0
267.06674	3.9
295.06012	3.4
299.90756	2.2
305.04642	2.4
323.05615	6.8
351.05112	10.1
366.07504	5.5
381.09839	16.9
382.10193	2.6
481.15076	10.6
484.82288	2.2
547.45929	2.1
639.76788	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46386	1.6
61.98827	4.2
62.10180	2.0
69.20484	11.4
71.05027	9.7
92.92818	1.9
99.04530	100.0
100.04881	1.8
115.04028	26.6
145.98235	1.6
152.12590	1.7
209.11783	1.8
232.31870	1.8
239.07108	1.8
253.05029	2.4
267.06543	2.8
281.04413	3.2
293.04669	2.3
295.06119	2.1
305.04541	3.0
307.06265	2.1
321.04187	2.7
323.05652	8.9
332.79276	2.2
337.07013	2.8
351.05014	14.8
351.08725	2.2
365.06866	3.0
366.07489	5.7
381.09741	15.1
399.10858	2.3
440.00903	2.0
481.14877	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22040	12.9
54.21238	12.5
54.45266	14.3
57.01704	14.3
59.01394	22.4
61.98838	80.4
68.55916	18.4
68.99859	71.4
69.00281	85.6
82.95422	100.0
96.96064	19.8
98.21724	26.7
145.66475	15.9
308.51050	16.8
314.41626	16.5
537.30096	30.2
611.22382	23.1
612.21735	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
59.01385	100.0
59.05938	0.4
60.01727	0.8
61.98833	4.8
70.82940	0.4
70.83255	0.5
71.01391	1.0
72.99312	0.4
73.02953	1.1
87.00914	0.9
89.02469	0.5
90.02409	0.4
97.02963	0.6
101.02447	0.6
109.06644	1.5
112.55765	0.4
123.04526	0.4
125.02464	0.4
151.00392	0.8
156.37856	0.4
160.01669	0.6
161.04581	0.8
163.07677	0.5
163.11281	2.6
177.22191	0.4
180.04482	0.5
183.10349	0.5
191.05504	0.8
195.06734	1.3
207.10324	1.3
225.11382	0.6
235.13344	0.5
270.08926	0.7
271.02505	1.0
285.04202	0.9
285.11441	0.8
287.05481	0.5
298.08362	0.5
299.09396	0.5
300.02835	1.8
301.03311	1.3
302.03546	0.7
314.08069	1.1
326.08182	0.5
327.79953	0.4
329.10397	3.1
341.10312	4.2
342.86969	0.4
344.12750	4.8
345.13110	0.6
356.12497	2.0
359.15033	15.9
360.15515	1.5
371.15012	10.1
372.15439	1.0
447.09573	1.6
447.20566	0.4
448.09695	0.5
449.14560	0.9
509.20389	0.9
549.23633	1.1
567.15479	0.4
567.24371	1.0
593.22632	0.6
611.15002	2.2
611.23730	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.8
59.01385	9.8
60.99326	4.5
61.98833	2.3
65.00330	11.7
69.03441	1.3
69.21262	7.4
69.32597	0.8
71.01398	3.4
71.05031	3.1
71.08069	1.0
73.02953	7.6
75.59803	0.9
81.03455	1.7
83.01388	4.8
84.78358	0.9
85.02951	1.6
87.00893	2.6
88.98812	27.8
89.02460	3.8
95.05061	0.9
97.02954	4.6
101.02436	2.0
107.01398	14.2
107.05065	2.0
107.08719	1.1
109.02991	1.9
109.06599	16.7
111.00912	1.1
113.02436	1.3
119.03611	0.9
121.06631	2.9
122.03768	1.3
123.04542	7.2
123.08231	2.3
125.01689	1.0
125.02470	5.8
133.02994	3.0
133.06654	1.7
135.04558	3.5
135.08128	1.7
149.02470	1.1
149.06128	1.9
150.03300	2.1
151.00378	50.9
151.04018	11.4
151.07700	1.5
152.01114	2.2
159.08185	2.3
161.04723	1.0
161.06081	2.2
161.09755	3.3
163.04010	1.2
163.07655	3.9
163.11304	25.4
164.11676	1.4
167.03534	1.8
167.07243	1.5
175.04054	2.0
177.01953	1.7
177.09271	2.1
178.02625	1.0
178.99948	4.2
180.04329	1.2
181.12379	2.0
190.38585	1.0
191.05685	1.7
195.06650	8.4
199.04089	2.8
199.11371	1.2
207.10269	7.1
217.05089	1.6
223.09744	1.6
225.11316	7.9
241.05176	1.6
243.13904	1.4
245.71497	1.0
257.04752	1.6
269.04639	5.9
285.04074	42.2
286.04449	2.8
303.05148	1.9
316.02454	1.1
385.20242	1.2
459.15182	2.0
470.22961	1.0
475.20404	1.9
485.13232	1.6
487.23294	1.5
505.24588	3.0
537.19971	1.5
549.23468	5.5
551.27350	1.2
567.16205	0.9
567.24365	5.3
593.22791	4.2
611.15771	6.7
611.23663	100.0
612.15338	1.4
612.23895	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.3
57.82534	0.4
59.01389	1.9
65.03959	0.3
67.01878	1.1
69.03446	1.0
71.01402	0.3
79.05516	0.4
81.02988	0.3
81.03448	2.1
83.01414	0.4
83.05030	0.7
85.02956	1.1
88.07927	0.4
93.03452	1.7
93.07100	0.5
95.05028	4.4
97.02961	5.4
97.06612	0.5
99.04525	100.0
100.04861	1.9
107.05021	1.6
108.02180	0.9
109.02951	2.3
109.06602	1.7
111.04529	1.7
111.08127	0.9
111.64624	0.4
119.03220	0.3
119.05044	0.8
119.08674	1.3
121.02942	0.9
121.06584	1.8
122.03754	4.0
122.04555	0.5
123.04527	1.2
123.08138	0.6
131.08665	0.6
133.06610	0.8
135.04561	0.7
135.08170	0.6
136.05260	0.4
137.06093	32.8
137.09721	0.6
138.06403	0.7
139.03995	1.1
139.07654	1.0
145.02998	0.4
145.06586	0.4
147.04498	1.0
147.08179	2.2
148.05260	1.3
149.02448	0.5
149.06090	1.2
149.09732	1.2
155.01010	0.4
155.08617	0.4
157.06622	0.6
159.04538	1.4
159.08163	0.8
160.05379	0.4
161.06107	0.3
161.09822	0.4
163.04037	0.4
163.07674	4.3
165.05714	0.3
171.08179	1.0
173.06111	1.3
173.09682	2.0
175.07658	1.6
175.11292	2.6
177.05653	0.4
177.09233	0.6
183.08109	0.5
185.06035	0.4
185.09840	0.4
187.07629	1.0
187.11279	0.9
189.05609	0.7
189.09215	4.5
190.09515	0.4
191.07138	0.5
191.10786	2.9
197.09837	0.6
198.06805	0.3
199.07698	0.9
199.11322	0.4
201.09225	0.4
203.07167	0.9
203.10716	0.7
205.12360	0.9
211.07579	0.6
213.09227	0.9
213.12830	0.9
214.06282	0.4
214.09952	0.5
215.07159	0.9
215.10837	0.8
217.08652	0.8
217.12297	0.6
219.06583	1.0
219.10265	1.2
219.15863	0.3
225.09229	0.9
227.10817	0.8
229.08852	0.8
229.12325	1.0
231.10208	1.4
233.11874	0.6
237.09245	0.4
239.10724	1.0
241.12357	1.3
243.10252	0.7
245.11745	2.6
247.13351	2.0
249.09216	0.3
251.10785	0.9
253.08920	0.4
253.12309	0.4
257.11856	0.9
259.09921	0.4
259.13351	1.0
265.12381	0.7
267.10306	0.6
267.13861	0.8
269.11761	2.2
270.12567	0.6
271.13345	1.6
273.11304	1.0
275.12915	0.6
283.13406	0.9
285.11520	0.6
285.15039	1.2
287.12994	1.2
293.11792	1.0
301.14447	2.4
311.12866	5.2
312.13535	2.2
313.11011	0.5
313.14432	0.8
319.17145	0.5
327.12320	1.2
329.13895	7.4
330.14383	2.4
335.20059	0.6
345.18512	1.1
347.16486	0.6
351.16040	0.7
356.12601	1.2
361.21771	0.6
363.19589	4.0
365.17691	0.4
368.16534	0.5
369.17163	1.3
373.12961	0.7
374.13605	2.2
379.22949	0.9
387.19632	0.9
388.11777	0.4
389.17633	0.4
391.15475	0.5
405.20892	3.6
407.18622	13.5
408.18988	1.1
413.16080	0.5
423.21701	1.6
425.19894	0.6
431.18524	2.2
449.19736	7.3
450.20258	0.5
451.17776	2.0
467.20734	3.6
468.21283	0.4
469.18631	0.5
475.17624	0.4
493.18643	3.5
494.18939	0.4
511.19785	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71404	0.4
59.01383	2.9
60.99312	14.0
61.98820	1.5
65.00327	5.4
70.51521	0.5
71.01388	0.8
71.30682	0.6
73.06133	0.5
80.60004	0.5
83.01389	2.1
85.02962	0.9
87.00884	1.7
88.00414	0.6
88.98813	100.0
89.02453	14.7
89.02863	0.3
89.03022	0.5
89.99150	0.7
101.02461	1.0
107.01409	6.3
113.02460	0.6
121.02947	0.6
123.04611	1.0
124.01668	0.9
125.02438	1.7
131.48576	0.5
133.02972	1.6
135.04570	1.4
136.24646	0.4
149.02455	0.5
150.03232	6.2
151.00383	29.9
151.03987	1.9
152.01221	3.8
155.03551	0.5
178.99861	5.4
185.06163	0.5
187.03802	0.5
199.04012	1.3
215.03596	0.7
222.62326	0.5
241.05084	1.2
241.26590	0.5
285.04071	28.7
286.04388	1.7
302.04395	1.0
328.94846	0.5
459.15009	1.5
485.13467	0.6
611.16040	8.7
611.26678	0.8
612.16333	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71404	0.4
59.01383	2.9
60.99312	14.0
61.98820	1.5
65.00327	5.4
70.51521	0.5
71.01388	0.8
71.30682	0.6
73.06133	0.5
80.60004	0.5
83.01389	2.1
85.02962	0.9
87.00884	1.7
88.00414	0.6
88.98813	100.0
89.02453	14.7
89.02863	0.3
89.03022	0.5
89.99150	0.7
101.02461	1.0
107.01409	6.3
113.02460	0.6
121.02947	0.6
123.04611	1.0
124.01668	0.9
125.02438	1.7
131.48576	0.5
133.02972	1.6
135.04570	1.4
136.24646	0.4
149.02455	0.5
150.03232	6.2
151.00383	29.9
151.03987	1.9
152.01221	3.8
155.03551	0.5
178.99861	5.4
185.06163	0.5
187.03802	0.5
199.04012	1.3
215.03596	0.7
222.62326	0.5
241.05084	1.2
241.26590	0.5
285.04071	28.7
286.04388	1.7
302.04395	1.0
328.94846	0.5
459.15009	1.5
485.13467	0.6
611.16040	8.7
611.26678	0.8
612.16333	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94351	0.5
57.50166	0.6
59.01385	100.0
60.01717	1.1
61.98841	7.1
69.61709	0.5
70.42709	0.5
75.00871	1.1
78.91912	0.6
78.95913	1.0
80.91680	0.6
82.95390	0.9
84.95137	1.1
85.00445	2.6
86.22514	0.6
96.95998	1.4
98.22556	1.1
99.04506	0.8
101.02487	3.3
103.00388	4.2
103.01505	73.6
113.37077	0.6
125.02459	0.9
137.02385	0.6
156.05943	0.5
195.10208	1.2
223.13304	0.8
227.24883	0.6
306.32190	0.5
371.32523	0.6
429.32086	0.6
471.33627	0.6
611.25488	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2681
Annotation	Taxayuntin J
Peak:m/z	Relative Intensity
50.67105	0.6
59.01379	3.4
61.98829	8.4
72.07088	0.5
98.22585	1.5
99.92593	58.6
100.92593	3.2
100.93369	1.6
115.92084	38.0
116.92130	1.0
116.92861	20.0
117.92879	0.7
117.93683	1.2
118.84694	0.5
123.08195	0.9
158.93913	1.0
174.93411	4.2
180.95967	1.3
183.94728	2.9
374.12012	0.5
378.55301	0.5
421.31143	5.6
473.47629	0.6
507.25638	3.4
512.34845	0.7
513.35645	0.7
519.22821	0.6
521.23730	1.5
533.23810	0.8
539.24805	1.7
540.25256	0.7
551.24780	17.8
552.25024	3.6
611.26807	100.0
612.27124	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92493	2.7
61.98832	9.0
85.66253	2.8
98.22612	7.0
99.43286	2.8
99.92593	100.0
100.93313	2.9
102.73416	3.1
115.92093	61.5
116.92870	30.3
138.18588	3.3
142.65013	2.9
228.89719	3.5
278.12964	2.7
299.23248	3.8
388.70483	3.6
421.31375	5.5
536.13678	3.3
539.64569	4.8
551.24713	11.6
611.26807	68.6
612.27081	17.0
638.57062	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.7
59.01369	2.9
61.98834	62.5
71.01381	2.4
71.31184	1.2
73.99649	1.2
78.95910	63.4
79.58534	1.2
80.91640	1.6
82.95428	18.3
87.04494	1.8
96.96053	2.2
96.96970	10.1
97.02888	1.2
97.67722	1.4
113.09737	2.4
118.51830	1.2
120.04810	1.3
146.92859	1.1
152.99596	70.2
179.14342	1.3
195.13943	19.5
211.71461	1.4
223.00082	6.1
236.70842	1.3
241.01186	24.7
259.02350	2.1
259.79041	1.4
277.21704	16.1
295.22800	59.3
296.23154	5.7
315.04892	10.7
333.06161	2.0
525.18195	2.2
549.27118	8.0
611.28363	100.0
612.28937	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24985	29.7
56.58743	36.2
63.76144	33.8
70.37218	100.0
70.37559	31.6
163.43733	39.4
233.68770	32.9
305.67810	32.0
377.13684	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
60.81581	84.5
75.54865	88.1
116.17870	87.4
212.72247	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.2
60.07491	0.6
61.98837	100.0
70.59738	1.2
70.60105	0.8
80.09666	0.5
82.48112	0.5
87.51604	0.5
88.98830	0.6
89.70773	0.5
97.73449	0.5
109.03026	0.7
116.43708	0.5
121.03059	0.7
125.02507	1.1
130.51497	0.5
137.02492	0.6
138.86084	0.5
139.07680	1.1
151.00421	1.7
151.04041	0.8
165.01987	0.8
205.05016	0.7
211.04024	0.6
227.03519	14.1
227.05644	0.9
228.04004	0.7
229.05229	0.8
239.03542	0.7
255.03011	25.2
256.03638	3.1
257.04660	0.7
269.04782	0.6
279.12552	0.8
284.03293	42.7
285.03918	9.6
286.04498	1.4
287.05661	1.1
301.03427	0.8
317.02332	0.6
399.07602	0.6
451.14212	3.1
549.12543	56.6
550.12976	7.8
577.15820	0.7
612.15851	1.7
613.19104	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13206	0.7
52.43907	0.6
59.01384	1.8
61.98834	100.0
70.23769	0.7
71.79465	0.6
75.04064	0.6
88.98788	0.9
92.56973	0.7
98.22636	1.2
124.46384	0.7
141.78342	0.6
151.00427	1.7
155.58379	0.7
157.23820	0.7
191.05768	0.9
227.03503	15.3
228.04024	1.1
229.05156	1.0
230.46848	0.8
255.03004	27.6
256.03662	3.8
284.03290	41.4
285.03906	8.2
316.68088	0.6
334.15134	0.7
399.07480	1.3
452.93365	0.8
461.66696	0.7
549.12512	58.8
550.12823	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38347	3.6
59.01395	4.5
61.98839	100.0
63.14322	3.3
71.30773	5.1
71.31121	4.1
73.58627	3.7
89.10863	3.1
93.61018	2.9
95.05065	3.3
109.06617	4.2
111.04553	6.0
111.08204	5.2
112.50124	4.3
123.04504	3.5
129.05598	60.5
137.02359	3.1
137.06131	4.0
149.50978	4.0
152.63577	3.1
155.07147	9.1
165.01962	9.4
165.09222	4.3
180.04291	3.6
189.09297	6.4
195.06604	4.2
225.07651	5.3
235.26727	3.4
295.13492	8.9
313.14435	4.9
373.12750	3.9
374.13400	3.9
389.21176	6.5
403.17859	6.2
404.17838	8.5
451.21277	46.6
452.21704	4.8
469.22574	6.9
495.20203	19.4
496.20377	3.9
513.21259	28.8
531.22504	20.8
549.23370	19.1
576.21954	10.8
633.49927	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.9
60.01709	0.5
61.98835	100.0
64.61636	0.4
71.01393	0.7
78.91916	0.4
80.91692	0.4
82.95453	0.7
96.96057	0.6
98.22362	2.3
103.01540	1.3
108.55435	0.4
110.63000	0.4
118.02814	0.4
140.45946	0.6
195.10274	0.5
197.11884	0.5
209.11778	0.5
236.52887	0.4
285.77173	0.4
360.14221	0.5
388.18958	0.7
389.19156	0.9
390.19040	1.3
459.58377	0.5
531.95789	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67313	0.2
54.01161	0.2
59.01385	8.4
60.01711	0.5
61.98835	100.0
63.75064	0.2
66.69968	0.2
67.01905	0.2
71.01398	0.4
71.31849	0.4
72.99324	0.5
78.91927	0.4
82.09227	0.3
82.95403	1.3
84.95116	0.2
85.02951	0.3
87.00903	0.3
93.03506	0.3
96.96012	0.6
98.22289	0.2
137.06165	0.5
145.92915	0.2
148.86061	0.2
149.02589	0.2
177.01935	0.3
180.25142	0.2
191.05627	1.3
221.02567	0.2
223.06244	0.5
272.07172	0.6
273.07172	0.3
287.09277	0.6
288.09708	0.6
341.07034	0.2
344.82224	0.2
389.19870	0.5
390.20389	1.5
439.14090	0.7
511.25546	0.5
546.35669	0.2
575.21790	0.5
576.21997	1.2
577.22748	1.6
612.21930	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.2
59.01380	11.9
61.98835	100.0
63.99264	0.9
69.00378	6.5
71.01381	0.7
72.02380	0.7
72.34412	0.6
73.02958	2.6
78.95914	5.7
82.95441	2.2
84.95152	0.8
85.00446	2.6
85.02981	1.1
87.04523	15.1
96.96015	4.3
96.96978	1.5
109.06580	3.8
110.00911	0.6
112.98640	0.7
113.02555	0.7
116.92865	0.8
121.06641	2.5
122.03745	1.6
131.03558	1.9
135.04549	7.8
137.06085	5.6
151.07736	1.9
152.99602	6.3
159.08211	1.3
165.05663	1.0
167.07275	0.7
179.10849	1.0
196.14336	0.8
197.11870	1.4
213.09354	1.0
223.13426	0.7
227.10756	1.2
229.12338	0.8
241.01309	1.8
245.11823	1.5
257.11932	1.2
259.13571	0.9
269.12006	1.7
273.11401	1.5
275.12961	0.8
277.21851	0.7
278.22205	0.8
287.13019	2.4
295.22913	2.6
296.23102	3.4
299.16882	0.7
302.90546	0.7
314.21628	0.6
417.23062	1.8
417.30658	0.6
425.19901	1.2
457.22559	1.1
475.23724	2.3
483.16675	0.7
517.24432	3.7
531.26031	3.9
549.27075	46.7
550.27472	7.2
553.28387	1.9
612.28790	9.7
612.37823	1.1
613.29437	1.2
613.38971	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81274	1.1
52.83709	1.1
59.01375	2.1
61.17681	1.0
61.98833	11.7
69.18873	4.0
69.19289	5.3
71.01387	1.8
77.47198	1.1
78.91909	2.2
85.02999	1.9
93.03471	2.3
95.05046	2.3
96.96009	2.1
109.02953	26.8
117.03465	1.0
119.05073	2.0
121.02985	2.3
123.04520	14.9
133.02956	1.3
135.04552	4.0
137.02464	2.6
147.04575	1.7
149.02452	1.6
150.03181	2.6
151.00426	1.7
151.04028	12.3
161.02467	3.5
165.01949	5.0
165.05589	1.5
167.38637	1.1
170.65976	1.0
171.10280	21.1
173.04602	1.8
177.01900	6.2
179.03571	2.2
180.04320	2.8
189.01955	15.6
189.11374	2.2
190.02750	2.4
191.03603	2.5
191.05626	8.8
195.06654	3.3
197.02422	1.3
201.01913	1.7
202.02628	1.2
203.03552	2.4
210.07278	1.2
215.03491	15.0
217.01433	12.6
219.02977	4.2
225.07703	3.0
229.01411	3.9
231.03018	3.0
232.86761	1.2
234.01703	2.7
239.03447	2.3
242.02188	7.5
243.03023	7.0
253.08614	2.3
255.02968	3.1
269.00906	6.6
274.01141	7.2
279.06470	1.6
284.03223	4.7
285.03961	2.6
286.96844	1.4
307.06314	2.3
309.04126	6.4
310.04639	1.4
323.05820	5.7
324.06531	2.0
339.05029	1.4
341.06635	36.1
342.07062	2.5
351.05054	2.4
367.08200	2.6
369.52628	1.2
379.04678	5.0
383.07401	1.4
393.06158	30.6
394.06680	3.3
405.04242	1.2
435.14319	3.5
439.13885	4.1
461.08624	7.3
503.09866	100.0
504.10110	10.7
504.16406	1.4
565.20551	1.9
575.21539	5.7
577.22461	4.3
613.12250	29.0
614.13116	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81274	1.1
52.83709	1.1
59.01375	2.1
61.17681	1.0
61.98833	11.7
69.18873	4.0
69.19289	5.3
71.01387	1.8
77.47198	1.1
78.91909	2.2
85.02999	1.9
93.03471	2.3
95.05046	2.3
96.96009	2.1
109.02953	26.8
117.03465	1.0
119.05073	2.0
121.02985	2.3
123.04520	14.9
133.02956	1.3
135.04552	4.0
137.02464	2.6
147.04575	1.7
149.02452	1.6
150.03181	2.6
151.00426	1.7
151.04028	12.3
161.02467	3.5
165.01949	5.0
165.05589	1.5
167.38637	1.1
170.65976	1.0
171.10280	21.1
173.04602	1.8
177.01900	6.2
179.03571	2.2
180.04320	2.8
189.01955	15.6
189.11374	2.2
190.02750	2.4
191.03603	2.5
191.05626	8.8
195.06654	3.3
197.02422	1.3
201.01913	1.7
202.02628	1.2
203.03552	2.4
210.07278	1.2
215.03491	15.0
217.01433	12.6
219.02977	4.2
225.07703	3.0
229.01411	3.9
231.03018	3.0
232.86761	1.2
234.01703	2.7
239.03447	2.3
242.02188	7.5
243.03023	7.0
253.08614	2.3
255.02968	3.1
269.00906	6.6
274.01141	7.2
279.06470	1.6
284.03223	4.7
285.03961	2.6
286.96844	1.4
307.06314	2.3
309.04126	6.4
310.04639	1.4
323.05820	5.7
324.06531	2.0
339.05029	1.4
341.06635	36.1
342.07062	2.5
351.05054	2.4
367.08200	2.6
369.52628	1.2
379.04678	5.0
383.07401	1.4
393.06158	30.6
394.06680	3.3
405.04242	1.2
435.14319	3.5
439.13885	4.1
461.08624	7.3
503.09866	100.0
504.10110	10.7
504.16406	1.4
565.20551	1.9
575.21539	5.7
577.22461	4.3
613.12250	29.0
614.13116	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18645	0.5
54.09252	0.5
56.43397	0.5
59.01382	1.6
61.54350	0.5
61.98841	5.9
64.95161	0.5
71.01384	1.5
71.30630	0.6
72.36811	0.5
72.99298	0.8
73.02936	0.6
83.01373	0.5
85.02966	1.3
87.00893	0.6
88.98818	2.2
91.01874	0.6
93.03465	1.2
95.05045	1.6
96.96033	0.7
101.02493	0.7
108.02178	1.9
109.02962	74.7
110.03300	1.8
112.60921	0.5
117.03464	0.8
119.05047	2.0
121.02921	1.1
122.03732	0.7
123.04533	12.4
125.02483	0.6
125.06083	1.0
132.02235	0.6
133.02963	3.8
135.00917	0.7
135.04541	1.7
137.02492	0.6
145.02975	2.2
147.04526	4.3
149.02435	1.0
150.03218	1.4
151.04033	5.7
159.04446	1.4
161.02444	7.4
162.02992	0.6
163.03998	1.6
173.04620	1.2
175.04024	0.5
175.07652	0.8
176.01149	0.9
177.01939	25.5
178.02243	1.1
179.03537	0.8
179.51891	0.6
183.10286	12.2
187.04021	2.6
189.01949	57.0
190.02692	11.3
191.03517	12.5
191.05615	4.4
192.05775	0.6
203.03510	5.7
203.07072	0.9
213.09290	0.8
216.00629	8.5
217.01425	42.9
217.08656	0.7
218.02022	4.5
219.02997	15.6
227.07156	0.6
231.02979	12.9
231.10303	0.9
232.03596	1.2
233.04485	1.3
267.16119	0.9
272.03049	0.7
281.04620	1.9
289.07193	1.3
297.07642	1.2
301.03470	0.9
323.05661	1.9
341.06680	100.0
342.07034	8.2
351.16031	1.5
439.14066	0.8
449.09790	1.7
451.10367	89.3
452.10675	9.6
465.27078	1.2
503.11896	4.2
569.37866	0.5
613.15247	10.2
614.15668	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	12.1
59.01382	4.1
65.03967	3.1
68.97437	29.3
68.97829	4.8
71.01383	4.4
83.01400	14.9
107.05055	8.5
108.02225	5.0
109.02960	59.8
121.02972	6.9
123.04539	11.3
124.01662	7.2
125.02460	92.9
133.02982	7.2
137.01474	7.0
137.02467	100.0
137.03534	5.6
138.03195	3.9
139.04097	3.4
145.03027	4.0
147.00844	5.5
149.02444	9.3
150.03198	3.8
151.04031	69.6
161.02438	19.0
163.04065	4.4
164.01138	4.4
165.01949	6.8
166.02710	11.8
167.03499	7.7
173.06058	4.9
175.00380	26.5
175.04013	13.9
177.01962	36.3
179.03482	13.3
189.05518	4.4
203.07120	4.0
215.07272	4.0
217.04973	5.2
243.02969	5.1
243.06761	3.4
245.04599	4.4
245.08217	5.0
259.06113	24.5
260.06442	3.8
285.03952	5.6
287.05637	77.2
288.05862	5.2
289.07169	30.3
295.95001	3.9
301.03598	14.3
306.40994	3.8
331.08356	6.5
342.39374	3.3
407.07703	9.1
425.08887	6.1
451.11285	4.4
461.12857	6.4
475.14682	10.5
487.14572	13.2
503.13730	6.4
531.22687	3.6
577.13092	5.8
613.17902	79.2
614.18060	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	8.6
59.01398	3.0
63.83123	2.0
65.03971	3.0
67.01878	2.8
69.03468	2.7
69.53443	6.5
72.85375	1.8
78.84470	1.7
81.03452	3.0
81.15271	1.7
83.01392	11.1
87.00884	1.9
89.02475	2.4
93.03487	5.3
97.02982	2.2
99.82464	2.0
107.05036	10.9
108.02180	3.7
109.02959	58.1
109.44126	1.9
121.02962	5.0
123.04549	8.1
124.01674	4.9
125.02453	62.2
129.89355	1.7
131.03491	1.9
133.03003	5.1
135.04507	2.0
135.35585	1.9
137.02457	93.6
138.02811	3.3
139.04045	2.0
149.02478	9.4
151.04018	75.5
152.04451	2.0
159.04521	1.7
161.02477	14.3
161.06108	2.3
164.01187	4.1
165.01923	6.8
166.02785	5.9
167.03540	6.6
172.05344	1.8
173.06125	4.4
175.00322	8.4
175.04015	14.8
177.01942	35.5
179.03482	20.9
187.03929	1.9
189.05550	3.9
189.32524	1.7
189.34302	1.7
192.00739	2.1
201.05579	3.5
203.07198	4.2
205.05061	3.8
215.03612	2.5
215.07141	3.0
217.05138	2.6
231.03146	1.8
243.06648	3.7
244.30832	1.7
245.08249	8.0
252.31473	1.7
255.02869	2.0
257.04422	2.4
259.06091	24.3
285.04395	2.8
287.05634	79.0
288.05972	4.4
289.07220	30.4
301.03577	8.3
321.99918	1.9
331.08475	3.1
389.12445	1.7
407.07690	2.6
425.08890	3.4
451.10782	2.6
461.12961	3.8
469.56293	2.0
475.14603	10.4
487.15176	13.3
503.14188	7.2
569.19244	4.1
577.13135	2.3
600.26740	2.1
613.17792	100.0
614.18030	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.2
57.18558	0.6
59.01371	1.6
60.70161	0.5
61.98833	3.4
69.03454	1.3
69.21664	0.5
76.69809	0.5
78.77554	0.5
81.03461	7.3
83.01376	3.5
85.02929	0.6
89.02444	0.6
93.03489	1.5
95.01377	0.7
95.05036	5.4
97.02944	2.9
99.04535	4.3
103.37669	0.6
107.01371	0.9
107.05043	0.6
108.76392	0.5
109.02954	6.3
111.04511	1.8
113.02440	0.9
117.03513	0.5
121.02947	2.9
122.03791	1.0
123.04536	11.7
125.02454	24.7
134.03760	1.6
135.04541	6.4
137.02477	4.2
137.06090	6.2
139.04016	2.2
141.05617	0.8
145.03033	0.6
148.22247	0.5
149.02438	0.8
150.63988	0.6
151.00407	0.8
151.04037	0.9
155.03490	1.5
161.06088	1.0
163.04031	2.2
165.01932	1.0
165.05566	3.6
165.49207	0.6
167.03506	52.8
168.03928	1.4
177.05647	0.6
179.03508	5.9
180.04253	1.2
181.05048	1.9
187.04015	1.1
191.03528	1.9
193.05013	2.2
197.04591	6.5
199.04247	0.7
203.07202	0.7
207.02954	0.6
209.04562	35.8
210.04881	1.6
221.04472	3.0
233.04526	2.8
239.05638	7.4
251.05602	0.7
271.06042	0.6
278.20132	0.6
287.06729	0.6
289.07281	3.0
313.07178	1.6
331.08249	100.0
332.08533	7.8
343.08017	1.3
355.08154	1.3
361.09314	24.7
362.09656	2.0
373.09274	2.2
385.09009	1.0
397.09277	0.8
414.13950	0.5
415.10724	0.7
433.11398	2.5
451.12790	2.6
493.13510	6.7
523.14752	3.5
613.16626	5.5
628.98212	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.8
59.23788	0.8
61.98841	3.7
65.66072	0.7
67.01897	0.9
70.12132	0.8
71.05026	0.8
71.27924	1.1
72.99307	1.8
74.66818	0.8
75.00873	3.5
81.03463	1.8
83.01393	3.0
88.15002	0.7
93.03455	1.8
95.05040	1.6
97.02969	4.1
105.03504	1.0
107.05026	1.5
108.02184	3.3
109.02962	20.6
121.02984	4.6
122.03742	2.1
123.04536	15.6
124.04894	0.9
125.02462	9.8
133.02995	0.9
134.03766	12.7
135.04524	3.3
137.02455	16.3
139.04025	5.5
145.02951	2.1
146.03737	1.1
146.20331	0.8
147.04546	2.0
149.02463	13.5
149.06107	6.9
150.03236	2.1
151.00395	1.1
151.04019	13.4
154.02716	0.9
159.04556	2.3
161.02435	5.6
161.06061	4.4
162.03238	1.3
163.04033	8.2
163.11266	1.2
164.01207	1.5
165.01941	8.4
165.05537	2.6
166.02620	1.1
167.03419	1.1
169.63895	0.7
173.06047	0.9
173.53450	0.8
175.03987	2.9
175.07655	1.0
176.01204	1.4
177.01941	6.8
178.02695	1.2
179.03485	5.8
180.04379	1.3
181.04984	0.8
185.06029	1.1
187.03998	3.7
188.04773	2.8
189.01917	2.5
190.02733	1.6
191.03595	4.8
195.06612	2.4
197.06041	1.2
201.05606	0.9
202.06425	1.2
203.03429	0.9
203.07086	7.9
205.05092	8.2
213.05544	2.5
215.07104	10.0
217.01245	1.0
225.07686	2.0
227.07132	1.7
229.08664	1.3
231.02963	1.1
239.07135	1.5
240.07970	1.1
245.08177	9.1
247.05991	2.1
255.06644	0.8
257.08194	2.9
271.09799	1.8
284.07022	0.9
287.09317	2.3
289.07202	29.9
290.07495	2.2
299.09326	12.0
301.03848	0.8
301.07205	25.6
302.03616	1.5
302.07596	1.0
303.03989	0.8
313.07144	1.3
315.08740	8.0
316.09039	1.1
323.05963	0.9
323.09302	4.8
327.08755	1.7
341.06665	3.1
341.10425	1.0
403.14185	1.6
407.14682	1.2
451.14035	100.0
452.14310	10.7
613.17303	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01724	0.5
61.98829	0.9
63.45308	0.4
65.75266	0.4
69.47352	0.3
82.95432	0.6
85.02960	8.8
99.04529	7.2
111.00939	0.5
129.01962	7.7
171.10356	1.1
190.48244	0.4
197.11906	0.8
223.13474	0.7
249.26845	0.5
254.05997	0.4
264.04391	1.4
265.05029	2.9
267.06525	0.4
269.00995	0.6
274.05145	0.5
279.06812	0.6
282.05472	0.9
293.04715	1.8
294.05798	0.5
295.06342	1.3
296.06915	0.8
297.07672	2.1
307.06226	0.8
308.07071	0.7
309.07861	1.4
311.05859	0.6
323.05899	0.5
325.07147	3.8
326.07800	0.4
327.08905	0.9
336.06635	0.5
337.07468	1.6
353.06622	5.2
354.07019	0.6
368.09097	2.3
383.11380	27.0
384.11652	2.7
401.12759	1.1
444.42310	0.4
483.16702	12.0
484.17468	1.3
485.91754	0.4
493.26459	0.9
513.14063	0.6
553.28149	13.4
554.28821	1.7
613.19885	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03088	0.9
57.03442	2.9
59.01380	1.9
61.98822	8.4
62.65028	0.9
67.01878	5.3
69.02175	8.7
72.99303	10.5
83.01408	5.5
84.37732	1.0
85.02953	1.2
93.03474	3.1
95.01385	1.2
95.05042	2.5
97.02970	8.0
99.04553	1.6
107.05046	2.6
108.02213	3.5
109.02960	19.0
109.06599	3.3
111.04487	1.4
113.02438	1.7
119.05011	1.0
121.02970	7.8
121.06615	2.1
122.03771	8.5
123.00890	1.2
123.04538	13.3
123.08195	1.3
124.05299	4.1
124.39866	0.9
125.02433	5.7
125.06113	4.0
129.65533	1.0
131.04980	1.0
133.02983	1.7
134.03751	1.0
135.04509	3.4
136.01601	0.9
137.02448	16.3
137.06114	5.2
138.03333	1.3
139.04013	3.1
139.07658	18.0
144.65407	1.1
145.02901	2.0
146.03729	3.1
147.04509	2.5
147.08136	1.2
149.02458	7.1
149.06047	1.3
151.04042	5.3
154.02739	1.3
159.04478	4.3
161.02460	4.0
161.06108	8.0
162.03241	2.4
162.06902	6.4
163.04001	4.2
163.07686	10.3
164.01201	2.8
165.01944	16.7
165.05556	4.3
166.02336	1.4
168.07906	4.5
169.05060	4.4
169.08736	2.7
173.06110	1.6
175.04005	3.9
177.01897	1.7
177.05632	2.1
177.09241	4.3
179.03505	2.4
179.10777	2.4
180.69301	1.1
183.06622	1.8
185.06038	1.4
186.06834	2.4
187.04033	3.3
187.06100	4.2
187.07632	4.5
187.11325	4.3
188.04800	4.2
189.01909	3.3
189.05511	2.1
201.05592	2.3
201.09190	2.2
202.06459	1.3
202.10005	1.1
203.03488	4.4
203.07100	6.9
204.04338	1.7
205.05054	15.9
205.12379	5.4
217.01439	1.6
217.12248	5.9
227.07089	2.5
229.05060	2.7
231.03059	1.8
235.13409	2.3
239.66101	1.2
240.07674	1.0
241.08749	2.5
242.09207	1.3
243.10271	2.1
245.08315	4.8
247.06107	4.5
276.27847	1.0
279.12344	19.0
285.04297	1.2
285.07565	2.2
287.09381	2.1
288.06320	2.3
289.07233	12.4
299.09213	2.3
327.08762	6.0
341.06729	4.6
341.10458	2.0
367.17535	2.0
383.14948	1.9
407.15030	12.5
408.15674	2.0
451.14090	100.0
452.14319	12.4
485.21851	1.4
497.21954	1.5
515.22913	1.6
559.21484	2.4
577.22986	2.5
595.23938	8.4
596.24469	1.5
613.18188	29.0
614.19287	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1925
Annotation	Arborside A
Peak:m/z	Relative Intensity
53.12396	0.8
59.01366	1.4
61.13598	0.7
61.98519	1.7
61.98830	26.6
69.03451	0.9
83.01397	4.4
85.02988	0.8
88.98797	5.4
93.03468	1.8
95.01405	1.2
95.05060	1.3
97.02947	5.4
98.21796	1.6
108.02175	4.5
109.02962	18.1
121.02963	6.1
122.03733	6.3
123.00883	0.9
123.04536	14.3
124.01677	2.0
125.02469	3.6
134.03807	5.3
135.04517	5.7
137.02451	16.7
138.03229	2.3
138.30865	0.8
139.04041	3.1
145.02962	2.6
146.03737	3.2
147.04547	2.3
149.02426	7.1
149.06104	4.0
150.03210	2.4
151.04037	8.5
159.04533	5.3
160.05289	1.2
161.02472	4.0
161.06082	7.0
162.03296	1.6
163.04044	6.4
164.01189	2.8
164.04831	2.1
165.01949	10.9
165.05487	2.2
175.04066	1.6
175.07570	0.8
177.01900	5.5
177.05586	1.6
179.03520	2.1
185.06030	1.2
187.03999	3.5
188.04785	2.8
189.01897	2.2
190.02757	2.1
191.03493	5.5
197.01956	0.9
201.05565	2.0
202.06343	1.0
203.03471	1.8
203.07135	5.8
205.05063	10.5
213.05586	1.3
215.07166	1.3
217.01385	1.0
226.06313	1.1
227.07111	3.1
228.88422	1.0
231.03032	2.6
239.07141	1.5
243.06352	0.9
244.07500	1.3
245.08253	1.7
246.94048	0.8
247.06183	2.4
250.43869	0.9
255.06715	1.2
257.08170	2.0
257.44193	0.9
271.09732	2.4
283.09790	1.5
285.07568	1.4
285.11374	1.6
287.09274	1.5
288.06607	1.1
289.07202	3.5
297.07910	1.1
298.08463	1.0
299.09290	0.9
301.07230	4.1
315.08789	2.2
323.05646	1.6
327.08682	1.6
341.06619	1.6
407.15085	10.3
449.14404	1.4
451.14102	25.9
452.14484	2.6
461.14569	3.1
462.15115	0.8
503.15631	1.4
613.19299	100.0
614.19617	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.7
60.99310	15.0
61.98839	2.2
66.07447	0.2
70.61864	0.3
71.01377	1.2
71.31154	0.3
73.02942	0.4
85.02946	0.3
86.38503	0.3
86.87406	0.3
87.00892	0.3
88.98810	100.0
89.02452	1.3
89.99153	1.1
92.97504	0.4
93.03428	0.3
96.95990	0.4
99.00849	0.3
101.02445	1.0
113.02444	0.6
119.03499	0.5
121.02962	2.2
125.02455	0.5
137.02379	0.4
149.04543	0.5
155.02065	0.3
155.10818	0.7
161.04619	0.4
165.22606	0.3
179.05693	0.3
187.07727	0.4
191.05643	0.6
198.69768	0.3
199.09760	1.2
209.04573	0.4
225.11275	0.3
227.90404	0.3
227.92610	0.3
253.55544	0.3
289.07303	0.6
310.81204	0.3
558.09558	0.3
613.30798	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32209	2.2
61.98838	11.6
69.07707	16.0
70.77960	2.4
75.00877	3.3
82.95421	24.2
87.04498	3.4
88.82504	2.4
93.03495	3.4
109.02934	5.4
109.06604	14.2
116.76048	2.1
121.02965	4.9
122.03736	15.9
123.04539	5.2
125.06065	2.3
136.01646	3.9
137.02451	13.5
137.06075	3.1
142.22607	2.0
149.02426	18.5
149.06091	2.9
150.03232	59.6
151.00397	4.7
151.04083	2.5
151.07518	3.4
161.09770	2.6
163.07692	3.7
165.01964	13.6
165.05580	65.2
166.02734	14.4
167.07126	3.5
175.03893	2.7
175.11305	3.5
177.05566	3.5
177.09247	3.6
179.03502	3.9
180.04305	8.8
181.05074	13.6
186.06589	2.2
187.04076	2.5
190.06245	2.6
191.07213	5.7
195.06639	39.6
205.05009	5.2
215.10774	2.8
225.07706	7.9
264.47791	2.5
293.10324	4.7
354.33456	2.5
387.10196	3.6
387.14633	9.0
417.15665	20.0
484.76215	2.5
533.23572	9.0
535.17700	2.1
555.43176	2.4
565.20947	31.2
566.21277	3.6
575.21478	15.9
577.22876	100.0
578.15283	2.5
578.23071	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	55.7
71.01376	29.4
71.27236	14.7
89.02467	19.3
101.02448	18.3
109.02963	21.7
113.02451	14.5
119.03503	16.0
119.05023	15.4
121.02948	16.6
122.35062	10.7
123.04508	21.3
125.02435	81.2
137.02463	25.3
149.02460	13.6
161.02495	36.0
165.01997	15.5
177.01952	30.9
189.01947	21.6
216.81992	10.5
216.84196	13.3
242.05408	11.6
285.04211	17.4
286.04587	19.4
287.04971	36.6
289.07239	37.0
323.13571	100.0
341.06659	38.3
451.10312	36.7
613.16589	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24886	1.1
57.11274	1.0
59.01363	1.4
61.98826	12.5
63.99244	1.3
73.02274	1.0
73.02956	1.2
75.00861	1.0
77.88039	1.0
80.91676	1.4
82.95393	2.8
93.03458	5.2
106.04230	1.2
107.04932	1.1
109.02937	5.9
109.06593	3.5
121.02966	7.5
122.03754	15.6
123.00902	1.6
123.04494	3.2
124.01658	2.0
125.02393	1.6
133.02965	1.4
135.04562	2.5
136.01651	4.0
137.02463	14.7
137.06047	2.1
139.00423	1.2
139.03986	1.1
147.04552	1.1
149.02461	29.5
149.06061	3.8
150.03236	100.0
151.00377	8.2
151.04008	5.7
152.01146	1.8
152.04741	2.0
153.01807	1.3
159.04541	1.8
161.02507	1.6
164.04829	5.1
165.01962	11.4
165.05577	99.1
166.02715	17.2
166.05910	2.2
167.03459	2.8
175.03987	3.5
177.05591	1.8
178.02699	1.4
179.03477	4.5
179.07028	1.0
180.04294	11.5
181.05060	22.6
184.03781	1.9
187.04002	3.9
190.06401	1.7
191.07065	2.6
193.05035	2.4
195.06633	60.0
195.86879	1.0
196.07001	1.7
202.06227	1.2
205.04987	6.5
220.07350	3.2
221.08243	1.7
225.07646	5.6
235.09660	1.9
293.10226	5.2
315.08563	1.2
329.10257	2.8
372.12125	1.9
386.13809	1.3
387.10580	2.7
387.14853	10.0
402.13025	2.3
403.13849	2.9
417.15546	28.9
418.16144	2.5
501.19858	1.3
513.21045	1.2
531.21222	1.6
535.19562	4.3
547.19678	2.1
565.20807	52.3
566.21289	6.3
575.21246	14.0
577.22839	18.5
578.23047	2.3
613.23114	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.23
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
61.58038	0.2
61.98839	0.5
67.75632	0.2
71.05022	0.2
71.32256	0.3
80.76600	0.2
88.98797	0.4
96.96024	0.8
99.04527	100.0
100.04856	2.1
100.37572	0.2
115.04019	0.5
116.92870	1.1
137.31464	0.2
179.03505	0.2
209.08208	0.3
224.04707	0.4
227.03511	0.3
237.02145	0.3
237.05482	0.3
238.02711	0.5
239.03638	0.3
241.09126	0.2
250.06337	0.3
251.03590	0.4
251.07286	0.2
252.04341	0.5
253.05029	0.9
254.02170	0.3
255.03049	0.5
265.01294	0.5
266.02176	0.5
267.03046	0.4
269.04611	0.8
270.04898	0.3
277.05255	0.3
279.02905	0.5
279.06387	0.2
280.03745	0.8
281.04544	2.0
282.05026	0.3
283.02557	0.5
292.03305	0.2
293.04312	0.2
294.01782	0.4
294.04950	0.2
295.06125	1.1
297.04126	1.7
298.04742	1.0
299.05841	0.6
307.02454	0.2
308.03271	0.8
309.04095	1.5
310.04745	0.3
311.05591	0.2
312.06393	1.0
313.07190	0.7
322.04819	0.2
323.05624	2.0
324.06305	1.1
325.03366	0.4
326.04260	0.4
337.07242	0.6
338.08026	0.3
339.05176	0.3
339.08789	1.0
340.05804	0.9
340.09268	0.2
341.06644	1.1
351.05103	2.4
353.10553	0.2
355.08289	2.3
356.09024	0.7
365.06592	0.3
366.07465	2.1
367.08029	0.3
370.10446	0.2
371.11197	0.5
381.09799	5.4
382.10159	0.4
383.07632	1.9
384.08237	0.3
398.10043	1.5
399.10779	0.7
413.12399	3.6
414.13004	0.3
431.13550	2.1
443.13760	0.3
513.17792	1.0
616.74982	0.2
622.61566	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	17.5
60.82976	0.3
60.99298	0.4
69.10458	1.0
69.10880	2.2
88.98825	1.8
99.04527	100.0
100.04861	1.7
103.01509	14.2
111.46249	0.3
142.69077	0.3
271.02393	0.3
310.61731	0.3
409.12967	0.5
413.12061	0.6
421.63193	0.3
591.59204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.2
61.98829	2.8
65.64304	0.6
68.99556	0.7
69.09028	5.7
71.05024	2.9
81.16644	0.6
82.95422	2.9
84.95130	1.1
85.00431	0.8
86.35081	0.7
87.00887	1.8
88.83166	0.8
96.96026	1.1
99.04530	100.0
100.04855	1.3
101.02387	0.7
101.06092	1.6
101.61873	0.6
112.98567	0.7
115.04019	2.1
115.92096	1.5
116.92860	0.9
156.99794	0.9
159.07494	0.6
171.10309	2.6
177.45239	0.6
184.67274	0.6
192.82854	0.6
197.11876	5.5
199.04057	1.2
211.00580	1.0
211.04094	1.8
215.03262	0.7
223.13411	1.5
226.02670	0.9
241.05070	0.7
242.02264	1.2
255.02965	1.5
257.04620	4.0
258.05099	0.8
259.06146	2.3
270.01736	1.3
271.02539	2.1
285.04126	2.1
293.04654	1.2
296.03387	0.8
297.07736	1.5
301.07202	2.3
309.07602	1.1
312.10245	0.8
315.05164	0.9
324.09955	1.0
325.07190	1.0
328.05936	0.8
329.06705	2.9
335.05923	0.9
343.08389	0.8
345.06247	2.7
350.08148	1.0
353.06546	1.8
357.09891	0.9
365.10306	1.8
371.07535	1.6
383.11301	4.3
386.09927	1.0
401.12430	28.6
402.12875	2.0
483.16623	2.6
613.23206	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87525	0.4
59.01366	1.3
59.21458	0.5
60.68512	0.4
60.80132	0.5
61.98824	0.8
62.48279	0.4
65.33499	0.4
69.03450	0.5
69.04286	1.7
69.04714	2.8
73.01531	0.6
99.04526	100.0
100.04872	1.0
105.49113	0.4
116.13364	0.5
258.53882	0.4
293.81512	0.5
323.05740	0.6
383.07822	1.2
384.08218	0.6
398.10031	1.0
399.10840	1.7
413.12555	2.6
470.38272	0.5
499.16568	0.8
513.17749	1.5
515.46490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32776	1.4
59.01091	1.9
59.01380	33.1
61.98832	8.0
71.01375	2.3
71.05029	1.7
72.99292	1.6
74.19859	1.3
78.95900	1.5
82.95432	10.3
84.95155	6.4
85.00446	9.9
85.02963	11.6
87.00875	1.7
88.98830	1.3
89.02434	1.3
96.59598	1.3
96.96026	3.8
99.04525	79.1
100.04875	1.1
101.02454	1.5
116.92858	3.5
121.02937	1.5
123.04497	1.5
129.01970	8.0
133.03085	1.3
171.10263	4.8
177.42714	1.3
197.11806	6.0
223.13615	2.0
238.06258	1.6
241.00954	1.8
251.07037	2.9
253.04930	2.3
255.06905	1.3
264.04236	2.3
265.05072	4.9
269.00940	2.5
269.08151	3.6
279.06656	5.1
282.05215	1.8
283.05902	2.3
293.04529	3.8
295.06223	3.9
296.06647	2.6
297.07611	16.3
307.05975	3.0
309.07843	1.8
309.11401	3.1
325.07208	24.4
325.10699	1.1
326.07620	3.0
335.05734	3.0
337.07220	2.6
339.08582	3.9
353.06610	26.1
353.10916	2.0
354.07135	1.8
367.08127	1.8
368.08960	8.7
383.11371	100.0
384.11786	7.7
483.16660	46.6
484.16919	3.9
553.28070	4.3
613.19849	1.8
613.30469	3.8
613.39661	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2638
Annotation	Taxchinin A
Peak:m/z	Relative Intensity
55.41208	0.5
58.61143	0.4
59.01389	3.7
61.98819	2.0
71.01389	3.5
73.02947	1.1
74.16876	0.5
78.91901	1.2
83.01394	1.0
85.02956	2.1
87.00901	0.6
89.02448	1.5
101.02450	3.3
109.63384	0.5
113.02453	1.6
119.03554	0.7
123.28111	0.5
191.05669	1.6
242.54295	0.6
253.18100	1.3
334.14630	0.5
343.25137	0.6
397.22308	1.0
413.21973	1.0
415.23404	100.0
416.23709	9.4
439.14200	0.7
439.23233	1.0
575.20850	0.9
613.26740	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	97.2
68.31983	4.8
68.99577	7.3
69.01674	36.1
69.02092	13.1
71.05018	10.6
72.92348	4.2
73.02946	9.2
75.00874	11.7
85.02971	7.3
96.96040	5.9
97.03001	10.7
99.04529	34.5
103.00432	6.2
103.01501	67.6
103.04016	4.9
112.98523	6.7
115.04023	100.0
115.92069	8.0
116.92873	18.6
117.05575	5.6
151.04010	5.5
179.03531	18.8
194.05824	16.8
203.11903	4.0
206.48997	5.2
207.44989	4.3
209.08195	17.5
227.15123	4.5
293.04501	5.4
383.11469	9.5
393.76761	4.6
415.14001	18.9
434.18088	4.8
470.08221	4.7
513.17639	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	54.8
61.98821	0.5
65.45531	0.4
69.13068	2.2
69.13496	1.5
88.98805	0.9
99.04528	100.0
100.04298	0.4
100.04842	2.1
103.01505	44.8
164.51169	0.5
295.49875	0.5
399.10709	0.7
442.64996	0.5
471.41251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01729	0.7
61.98831	3.5
71.01371	0.9
72.99329	0.5
75.00880	2.1
77.18066	0.4
78.91879	0.7
82.95425	0.6
83.75683	0.5
85.02975	0.5
87.00881	1.8
89.02444	0.9
93.03458	0.5
96.96035	0.6
98.09373	0.4
98.22543	0.9
101.02485	0.7
103.00384	2.9
103.01501	71.0
104.01807	0.6
121.02980	0.6
140.87691	0.4
149.02448	0.5
149.04558	0.6
150.03181	0.7
151.07660	0.7
165.05551	0.6
197.11807	0.7
209.11703	0.7
212.85452	0.4
252.60368	0.5
417.77887	0.5
608.55713	0.5
613.30969	0.7
613.39282	0.8
620.80487	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98835	2.8
71.01373	1.4
71.07025	1.6
74.85637	1.2
75.00868	2.8
82.95435	2.4
84.95129	1.9
85.00436	2.5
85.02953	2.6
87.00916	1.4
88.98814	6.1
89.02444	1.3
96.96049	2.3
103.01506	77.5
116.92876	2.8
125.02422	1.6
129.01927	2.7
148.85704	1.0
151.04045	1.7
171.10323	5.3
171.75584	1.0
185.11835	1.6
197.11868	2.3
209.11887	1.4
213.81772	1.2
223.13408	3.0
293.04541	1.4
309.07559	1.6
325.07602	1.3
383.11246	3.7
528.58899	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85756	0.9
59.01384	100.0
59.67066	0.9
61.98831	5.8
66.96943	0.9
68.97861	8.8
74.95011	0.8
83.23480	0.8
85.00436	1.4
85.02950	2.4
85.33121	1.1
93.12496	0.8
98.21815	1.9
99.04536	3.0
107.30586	0.9
118.18555	0.9
119.49477	0.8
129.01941	4.0
151.46941	0.9
186.45580	1.0
265.05270	1.2
297.07697	1.7
325.07178	1.7
353.06912	2.4
383.11356	10.3
408.76590	0.8
483.16776	5.8
484.16931	1.3
553.28064	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
59.01384	100.0
60.01732	1.0
61.98835	6.4
69.18187	3.3
71.01387	4.0
73.02952	0.9
78.91886	0.5
78.95932	0.6
80.91700	2.4
82.95428	1.6
83.01399	0.7
84.95118	0.5
85.00447	0.7
85.02973	1.8
87.00870	0.8
88.98840	1.2
89.02460	3.1
93.03497	1.6
95.01405	0.5
96.96041	1.5
96.96967	0.4
97.03007	0.4
97.06580	0.4
98.21766	0.8
99.00916	0.7
99.04570	0.4
101.02446	3.0
103.01511	0.5
109.02967	2.6
113.02467	2.0
119.03532	1.2
120.01312	0.5
121.02986	0.7
123.04534	1.9
125.02484	0.8
131.03537	0.4
137.02505	0.8
143.03586	0.4
147.04526	0.4
151.04070	1.2
156.01483	0.4
161.04553	2.4
173.04622	0.7
177.02014	1.4
179.05655	0.6
185.11961	0.5
186.29202	0.3
189.01965	2.1
191.03627	0.4
191.05702	0.7
214.02643	0.3
215.03542	0.9
217.01434	1.9
219.03114	0.8
242.02313	0.5
243.03018	0.6
269.00967	0.4
274.01376	1.1
284.03156	0.6
309.04428	0.5
323.05786	0.4
341.06631	4.1
342.07169	0.4
393.06165	3.4
435.11252	1.6
439.14047	0.6
448.74698	0.4
487.10403	4.2
488.11111	0.7
493.27966	2.5
503.09793	2.9
504.10825	0.8
511.29623	0.5
537.27893	0.4
553.30750	2.6
581.14496	2.6
600.06879	0.4
613.13684	1.0
613.27386	0.5
613.37024	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3599
Annotation	Toxicol C
Peak:m/z	Relative Intensity
53.71828	1.2
55.04425	1.3
57.03442	2.2
59.01386	11.2
61.50840	1.2
61.98838	17.3
69.03041	3.5
69.03439	14.4
71.01384	4.0
80.91664	1.4
82.95422	5.4
85.00426	2.6
85.02966	2.3
87.00877	2.7
88.98831	7.5
96.96017	1.5
101.02457	10.6
103.01484	1.5
105.61536	1.7
107.05047	1.6
111.04552	1.7
113.02458	2.9
120.01265	6.9
121.06609	2.9
122.03803	1.6
125.02438	11.7
135.04555	2.3
136.05316	51.5
147.08173	2.5
149.02364	1.8
149.06100	8.8
150.06871	5.9
162.06943	2.0
163.07669	1.6
164.08458	2.1
165.09224	60.4
166.09578	3.1
217.30374	1.5
285.20749	23.5
304.71262	1.5
433.29681	10.2
450.29843	4.3
451.23578	8.0
451.30618	45.0
452.30951	3.1
475.30988	3.3
553.30176	3.4
588.09607	1.6
613.36011	100.0
614.36493	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.43512	0.2
62.87483	0.1
62.88190	0.1
73.37249	0.2
88.95320	0.2
98.21735	0.4
106.24506	0.2
109.02963	3.3
110.03320	0.8
117.78540	0.2
123.04546	0.8
124.04875	0.2
131.04491	0.2
151.04021	0.2
161.02483	0.2
166.39729	0.2
177.01952	0.9
178.02368	0.6
189.01942	2.2
190.02412	1.1
191.03516	0.5
203.03467	0.3
203.53119	0.2
204.03760	0.2
216.00635	0.3
217.01361	1.7
218.01758	1.0
219.02917	0.5
220.03464	0.2
231.03117	0.5
232.03508	0.3
239.49109	0.2
341.06674	2.5
342.07016	3.7
343.07428	0.2
451.10315	1.1
452.10709	4.9
453.11127	0.2
504.12503	0.3
509.96350	0.2
567.66058	0.2
579.14166	0.2
579.41663	0.2
614.16107	0.9
614.27069	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87459	1.2
55.01904	2.5
56.42405	1.1
59.01380	13.6
61.98845	15.9
71.01390	13.3
71.31403	1.4
82.95406	10.8
83.01418	1.2
83.05015	1.3
85.02971	3.4
89.02448	20.8
94.27345	1.2
101.02461	7.9
113.02477	2.2
113.06085	13.9
120.01241	2.4
125.02476	8.8
131.03517	10.1
149.04567	8.9
161.04454	1.4
171.10266	4.8
173.04512	1.3
173.09653	1.5
179.10793	2.0
179.48026	1.1
191.05632	9.4
201.12804	8.7
207.10204	2.0
211.72626	1.2
225.11334	1.6
233.06702	1.5
233.15421	3.3
277.14459	100.0
278.14880	6.8
293.08813	7.8
314.79865	1.3
358.20782	1.3
423.73431	1.3
571.23755	2.3
576.21802	2.3
594.43353	1.3
638.97516	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35987	0.4
53.76396	0.4
59.01376	0.8
61.98824	1.9
64.08619	0.4
64.47967	0.4
67.47282	0.5
69.03391	1.8
69.03811	2.8
71.01386	0.8
74.00703	1.4
82.95426	0.5
85.00393	0.4
101.02473	0.6
120.01260	100.0
121.01580	1.3
125.02476	1.0
136.00742	0.9
148.46040	0.4
151.03958	0.4
185.14247	0.4
189.45976	0.5
527.25049	0.5
599.04211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26748	0.4
57.03473	0.3
59.01371	1.5
60.99309	0.6
61.98833	3.9
69.21050	0.6
69.21455	2.7
71.01376	0.5
71.92464	0.3
78.69952	0.4
87.00871	0.7
88.76761	0.4
88.98804	4.9
89.14697	0.4
101.64966	0.3
120.01257	100.0
121.01540	0.9
121.02966	0.7
123.71272	0.4
125.02447	0.9
136.96205	0.4
150.03238	0.5
158.90770	0.4
165.02011	0.6
165.05481	0.8
173.04550	0.4
177.80003	0.4
180.04211	0.4
191.05609	0.4
209.11897	0.6
271.74573	0.4
440.14374	0.4
493.26379	0.4
579.06140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36679	1.2
52.98452	1.2
55.31517	1.3
55.88286	1.2
58.02973	4.1
61.98816	1.7
73.04077	5.4
75.64695	1.2
75.93845	1.2
81.54025	1.2
82.06629	1.8
82.56362	1.2
84.04567	2.6
90.65527	1.1
98.02510	1.4
102.05618	36.4
115.05122	14.1
115.08778	9.5
127.08813	1.2
128.03552	100.0
129.03955	1.9
129.10344	4.4
130.08763	26.0
140.07184	5.7
146.04605	31.0
154.09853	11.8
155.08176	1.4
171.15063	4.9
172.10988	6.1
196.10927	28.3
208.13480	1.5
211.14604	2.3
214.11942	13.8
215.14030	5.2
222.81842	1.4
225.16150	3.0
233.63759	1.2
243.17075	2.4
254.22325	1.4
259.13101	1.6
280.23987	1.7
284.23413	2.2
298.25027	4.7
328.22391	2.4
355.27414	2.6
396.77982	1.3
427.29468	3.2
441.27216	34.2
442.27560	4.2
485.29800	9.2
526.32275	3.3
570.31458	89.3
571.31671	11.9
614.34100	76.1
615.34546	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	1.3
64.22347	1.0
64.50798	1.3
69.94537	1.0
84.15647	1.1
89.02512	1.3
96.95995	8.4
98.21799	3.9
119.05037	1.3
121.02944	1.1
125.02411	1.7
135.00887	2.0
151.00371	2.6
163.04022	1.2
178.99782	1.1
190.26619	1.3
191.05586	1.3
227.03520	34.5
228.03899	3.3
228.75752	1.1
229.05067	3.0
255.02997	65.0
256.03571	7.8
257.04398	2.6
257.93979	1.2
283.02567	1.3
284.03275	92.6
285.03949	23.6
307.02216	2.4
579.13568	100.0
580.14050	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89453	4.3
52.83083	4.1
53.62188	3.7
57.03447	5.4
59.01357	6.1
70.72445	3.9
71.01395	6.6
83.01353	5.0
87.67485	4.6
93.03444	4.3
97.03003	4.0
98.22538	10.8
109.02935	22.8
119.05040	27.8
123.04509	15.1
125.02444	36.6
137.02429	23.8
139.04036	6.0
139.34619	4.6
149.02489	7.8
151.04018	14.1
159.04485	4.7
161.02454	5.5
161.06099	4.4
162.03212	7.9
163.04022	37.2
164.01208	4.2
165.01930	11.5
166.07588	4.1
175.04048	5.7
178.26138	3.9
179.03526	9.7
203.07234	9.5
205.05026	7.0
245.08261	18.7
259.06058	4.2
287.05682	7.1
289.03925	5.1
289.07211	100.0
290.07404	9.4
311.39316	3.8
325.01181	6.3
325.82434	4.4
343.14023	4.8
401.31522	4.1
463.04150	8.9
477.06036	5.8
579.22858	18.1
603.13721	4.8
615.09241	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.5
61.98827	1.4
63.78992	0.2
71.01386	14.5
72.99314	4.5
76.83754	0.3
78.95901	0.8
82.95438	0.7
83.01389	0.4
85.02950	0.7
87.00886	11.4
87.04519	1.8
88.98811	0.6
89.02444	2.9
97.02967	0.5
99.04530	0.8
101.02449	0.9
109.06604	2.1
113.02418	0.4
119.03493	0.3
120.05836	0.4
125.02446	0.5
127.11259	0.4
133.05081	100.0
134.05371	1.6
135.08174	1.1
163.11307	1.5
171.10277	12.7
172.10591	0.4
179.03409	0.3
189.09322	0.3
207.10266	8.3
208.10553	0.4
209.11815	0.5
225.11313	4.4
227.46114	0.3
231.74211	0.3
235.08192	0.4
253.09296	1.1
263.45285	0.3
284.76828	0.3
317.41275	0.4
323.05640	0.4
351.05219	0.6
361.20154	0.3
381.09995	0.8
399.10782	0.4
438.99838	0.3
443.19385	0.5
448.18481	0.3
455.30310	0.3
461.20212	1.2
481.15027	0.7
486.85638	0.3
515.15350	0.4
518.14337	0.3
521.74243	0.3
532.73859	0.3
569.28778	0.3
597.29321	0.9
615.20721	2.8
615.30267	3.0
615.38538	0.4
616.21332	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42987	0.2
59.01132	0.3
59.01381	3.4
59.18187	0.2
60.99323	0.3
61.98829	2.5
66.17885	0.2
69.09984	0.4
69.10385	1.9
70.48586	0.2
71.01385	14.5
72.99327	0.2
76.40405	0.2
82.95428	0.4
84.95115	0.3
85.00427	0.8
85.02966	0.6
87.00879	11.5
87.04529	2.3
88.98808	1.6
89.02453	3.9
92.01923	0.2
96.96009	0.4
97.03001	0.4
99.04509	1.0
101.02444	0.7
101.03045	0.2
103.01498	1.1
109.02902	0.3
109.06603	0.8
113.02457	0.4
115.03973	0.2
116.92850	0.4
123.04547	0.3
125.02438	0.3
125.09723	0.3
126.03463	0.2
126.76052	0.2
131.93422	0.2
133.05075	100.0
134.05434	1.5
137.02425	0.3
151.04041	0.3
163.11256	0.4
165.27902	0.2
171.10274	5.5
172.10670	0.2
175.74129	0.2
187.09885	0.3
207.10237	2.8
209.11880	0.2
225.11357	1.6
253.09235	0.4
264.50162	0.2
323.05511	0.4
351.05215	0.6
358.89624	0.2
381.09949	0.7
399.10901	0.4
443.18512	0.2
452.29156	0.2
461.20462	0.8
481.15091	0.7
515.15741	0.6
520.72357	0.2
571.35333	0.3
615.20752	4.0
615.31097	1.5
616.21497	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58583	0.3
55.21817	0.3
57.03444	0.7
59.01364	0.8
60.99310	15.5
61.98832	0.6
62.88573	0.3
71.01385	0.5
84.95097	0.4
85.00466	0.5
87.00877	1.2
88.00420	0.5
88.98814	100.0
89.02442	5.6
89.99138	0.8
98.21802	0.7
125.02458	2.3
137.02481	0.5
165.01958	0.5
171.10295	1.7
200.01576	0.3
207.10263	0.9
209.11909	0.6
225.11325	1.1
289.07227	0.6
333.91629	0.4
435.89096	0.4
501.23087	0.4
615.30988	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54945	2.6
57.01949	2.4
57.29239	2.2
69.04916	2.6
69.86797	10.1
88.88761	2.7
98.21828	2.8
99.04540	3.9
101.06091	100.0
133.51938	2.7
323.05890	3.0
342.67654	2.5
355.08081	3.9
366.07480	3.0
381.09857	4.1
413.12976	4.2
460.79932	2.9
495.84747	2.7
515.19080	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59207	3.1
55.01878	3.3
56.39236	3.8
57.03434	4.6
59.01382	23.9
61.98826	6.4
66.86777	3.0
71.01385	29.2
71.32298	4.7
73.02944	14.7
82.95426	7.3
83.01402	5.4
85.02959	13.4
89.02449	7.7
99.00888	14.2
101.02462	37.0
109.02980	4.7
111.00898	4.6
113.02451	14.1
125.02492	16.0
127.44366	3.6
131.03543	9.8
151.04126	3.8
159.03029	3.6
161.04547	12.4
165.01909	3.6
176.88898	3.0
178.16304	3.8
178.99855	4.7
200.60143	3.6
259.06171	13.8
269.04480	8.3
283.09695	5.2
284.03299	3.6
285.03879	5.3
287.05737	8.4
291.18188	22.6
386.79382	3.6
394.06393	3.7
423.22406	23.7
488.85391	3.7
504.10327	5.9
505.10590	8.5
555.26556	100.0
556.26733	10.8
602.24945	4.0
615.13574	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59207	3.1
55.01878	3.3
56.39236	3.8
57.03434	4.6
59.01382	23.9
61.98826	6.4
66.86777	3.0
71.01385	29.2
71.32298	4.7
73.02944	14.7
82.95426	7.3
83.01402	5.4
85.02959	13.4
89.02449	7.7
99.00888	14.2
101.02462	37.0
109.02980	4.7
111.00898	4.6
113.02451	14.1
125.02492	16.0
127.44366	3.6
131.03543	9.8
151.04126	3.8
159.03029	3.6
161.04547	12.4
165.01909	3.6
176.88898	3.0
178.16304	3.8
178.99855	4.7
200.60143	3.6
259.06171	13.8
269.04480	8.3
283.09695	5.2
284.03299	3.6
285.03879	5.3
287.05737	8.4
291.18188	22.6
386.79382	3.6
394.06393	3.7
423.22406	23.7
488.85391	3.7
504.10327	5.9
505.10590	8.5
555.26556	100.0
556.26733	10.8
602.24945	4.0
615.13574	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77736	2.4
56.99752	2.5
57.03455	3.0
59.01381	100.0
61.98837	17.4
65.00765	2.2
71.01391	12.9
73.02962	3.5
75.00869	8.1
82.95413	5.5
83.05015	2.4
85.02958	7.6
87.00885	9.7
89.02470	3.4
94.76279	2.4
99.04530	12.2
101.02463	7.0
103.00454	4.3
103.01505	69.6
103.04055	3.1
109.06599	11.5
113.02459	5.3
117.87307	2.7
120.05828	6.0
120.99681	7.1
125.02423	3.4
133.05060	22.7
135.08180	22.6
152.28940	2.3
161.04520	4.2
163.11285	7.9
171.10265	73.6
199.09740	2.7
204.09644	2.6
207.10246	38.7
209.11743	4.3
225.11282	21.6
247.60876	3.3
253.09230	4.1
294.71188	2.5
295.06049	4.3
296.06848	5.5
353.10358	11.2
363.31979	3.0
450.00714	3.4
461.20288	6.1
461.31296	7.1
557.29730	2.8
573.61603	2.9
597.28961	3.9
615.28638	13.9
615.38080	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49160	1.3
59.01384	100.0
73.42502	1.3
96.96033	4.7
98.22647	2.9
99.04500	9.0
100.04833	2.1
101.02461	2.9
101.06095	2.1
103.01504	71.5
130.28598	1.5
132.47968	1.4
527.64349	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51183	0.8
59.01383	100.0
59.51451	0.7
60.01714	1.0
61.98825	2.3
65.85560	0.8
75.00862	1.3
75.10310	0.9
75.16901	0.7
84.13552	0.8
85.00445	2.0
88.98811	0.9
93.86970	0.8
99.92586	1.5
103.00404	1.9
103.01503	76.6
112.98573	1.0
116.92889	1.5
121.02958	6.2
138.62213	0.9
171.10219	0.9
172.22685	0.9
187.80531	0.9
188.80080	0.8
240.99744	0.9
298.88528	1.0
381.40402	1.0
520.83435	0.8
525.32104	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65329	3.8
59.01388	100.0
61.98826	4.8
77.44952	3.7
86.48598	4.3
89.25105	3.9
93.47136	4.2
94.14153	4.6
94.26889	3.3
98.21777	11.5
99.03922	8.1
99.04520	67.6
99.70236	3.6
100.04872	11.1
101.05051	4.4
101.06086	10.2
103.01517	77.2
110.76707	3.6
171.10359	4.4
199.03929	4.0
319.57349	4.4
401.63538	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78946	4.7
59.01381	100.0
61.98850	8.2
69.03232	23.1
69.03657	17.6
80.25221	4.4
84.05258	4.6
101.30914	4.7
129.66914	5.4
137.06068	5.8
178.79813	4.6
190.26892	4.9
207.14188	4.6
216.88680	5.5
399.18912	5.2
403.74368	5.4
425.22046	6.3
513.21332	18.0
531.22205	35.8
553.65881	5.3
557.26056	5.6
580.21149	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73467	5.2
59.01385	100.0
61.98823	10.1
69.27473	40.8
98.22070	22.0
101.02470	6.7
102.24478	7.2
120.01283	37.3
122.90939	5.9
123.04472	6.7
125.02457	20.4
171.10286	41.8
191.05641	6.4
209.11836	36.2
513.21521	12.5
531.22473	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.6
61.98833	100.0
68.60913	2.7
69.02743	20.9
76.44882	2.2
87.00891	2.3
93.27833	2.5
102.90723	2.2
109.98663	2.5
110.24239	2.3
138.21791	2.2
138.44630	2.5
198.15016	2.3
390.67862	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09292	0.3
55.58235	0.3
59.01390	4.2
61.01830	0.3
61.98837	100.0
62.30080	0.3
67.41301	0.4
71.32237	0.7
72.81837	0.3
85.00448	0.5
90.47716	0.3
99.92593	0.4
103.01508	1.8
103.51878	0.3
112.17510	0.3
115.43201	0.3
116.92862	0.7
128.38402	0.4
133.32893	0.3
135.13045	0.3
149.44412	0.4
171.10274	0.7
191.25557	0.4
200.90117	0.4
209.11954	1.0
257.10269	0.3
385.11987	0.4
556.04797	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
61.98823	1.0
69.14847	3.9
88.00237	0.4
88.98828	1.3
101.51968	0.4
109.02948	0.7
120.01264	100.0
121.01596	1.5
122.00832	0.4
125.02459	5.9
137.02451	1.1
139.07649	0.5
151.03995	1.1
171.10284	3.3
200.56044	0.4
209.11853	4.0
210.03323	0.5
227.12891	0.5
253.09421	0.5
289.07272	1.7
319.96616	0.4
353.14029	0.4
421.49084	0.4
444.84827	0.5
494.02985	0.4
495.27634	0.9
529.26538	1.4
616.29974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.0
58.00588	2.7
58.84737	2.1
59.01092	5.1
59.01383	83.9
61.98837	6.6
71.01388	50.0
71.27364	3.8
72.99330	4.8
78.65649	1.9
83.01399	4.7
85.02966	9.3
89.02452	85.7
95.01398	4.1
95.05024	3.3
96.96035	4.3
97.02919	2.7
100.68402	2.3
101.02455	30.2
102.20310	1.9
102.77773	2.0
108.92110	2.1
109.02963	12.9
111.71481	2.0
113.02464	19.6
119.03519	32.9
123.04518	8.5
125.02435	8.8
137.02466	7.8
139.04002	2.8
143.03514	6.9
147.04538	100.0
148.04893	6.7
151.04045	5.2
161.02521	3.0
161.04556	10.3
161.05948	4.2
164.01260	2.1
165.01942	2.5
167.03598	2.5
179.04019	3.8
179.05606	35.1
203.07150	6.2
221.08093	2.5
245.08260	5.7
289.07248	40.7
290.07523	2.2
327.10880	53.1
328.11276	3.2
486.58881	2.3
589.78003	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26329	0.7
57.82338	0.8
59.28197	0.8
61.98851	0.9
72.19603	0.6
74.72182	0.8
78.95911	1.8
93.03470	0.9
96.96027	8.5
99.04530	48.0
121.02970	100.0
122.03310	2.5
152.99600	0.7
184.71808	0.7
188.18468	0.7
204.79840	0.7
289.18961	0.8
323.05511	0.9
350.04330	0.7
363.08896	0.8
365.06720	1.0
380.08899	0.9
397.09509	2.1
495.16718	1.7
517.15179	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52448	0.2
59.01389	0.3
61.98809	0.4
65.10167	0.3
66.41832	0.3
69.11804	0.3
71.05008	0.3
71.31846	0.5
74.55846	0.3
93.03487	0.5
99.04529	67.7
100.04851	1.3
101.58380	0.3
119.05054	0.6
121.02969	100.0
122.03307	3.4
130.74588	0.3
142.60309	0.3
145.49393	0.3
171.10313	0.4
201.24570	0.3
209.11818	0.5
227.03606	0.4
229.05136	0.8
239.07069	0.5
255.03049	0.6
255.06627	0.4
267.06671	0.3
283.02573	0.8
283.06146	0.9
284.03378	0.4
293.04700	0.3
293.95404	0.3
295.06232	0.4
311.05771	0.5
322.04993	0.3
337.07291	0.8
339.05176	0.4
353.06570	0.4
365.06839	0.6
369.09598	0.5
380.09125	1.0
382.06961	1.8
395.11615	0.7
397.09274	6.6
398.09854	0.6
413.12473	0.5
435.14697	0.5
495.16721	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63405	4.9
57.97545	15.4
58.36445	5.2
59.01364	19.5
61.98811	8.4
70.47863	8.4
70.48178	7.7
71.01361	20.8
72.99301	24.8
73.02946	16.2
82.95405	6.3
84.95124	7.3
85.00418	12.5
87.00893	29.5
89.02325	5.5
95.05014	6.8
109.06586	7.4
122.03730	7.3
125.02435	5.5
133.05075	26.5
135.08185	9.7
137.06071	20.5
149.06029	7.1
151.07657	10.3
161.06084	12.7
163.07623	16.5
165.05498	5.7
171.10263	18.9
209.08195	18.8
209.11861	22.2
235.33009	5.9
281.63931	5.9
297.09766	38.4
317.15491	19.5
333.18536	8.3
334.99503	5.4
363.56921	5.7
365.98694	6.2
374.78842	6.1
377.17270	8.9
421.16330	31.5
477.19193	38.6
513.21265	7.9
539.19385	70.8
540.19727	10.7
557.20203	100.0
558.20313	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69998	0.6
59.01378	1.8
61.98823	0.8
66.95905	0.7
67.65620	0.6
68.95614	1.0
69.06115	4.6
82.74031	0.6
82.95427	15.4
84.81853	0.6
84.94610	1.4
84.95127	28.6
85.00440	100.0
86.00777	0.9
88.98817	2.6
98.22525	1.4
100.78354	0.7
106.81663	0.6
125.02538	0.6
135.83885	0.5
144.55330	0.6
166.02927	0.6
171.10295	2.1
209.11897	1.4
331.54349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44844	1.0
57.29873	1.2
59.01393	5.5
60.99311	13.5
61.98839	1.9
68.53643	1.0
68.99552	1.3
71.31986	1.5
71.32383	2.1
72.99300	4.3
77.39545	1.2
87.00867	2.9
88.00414	1.2
88.98814	100.0
89.02452	23.1
89.99143	1.5
90.02837	1.2
96.96021	2.2
103.01500	3.3
112.98581	1.4
116.92823	1.1
121.02972	3.1
121.98206	1.2
124.01669	2.3
132.34375	1.0
138.03319	1.3
139.04007	3.2
171.10324	7.9
209.11798	4.0
215.72295	1.0
227.12938	1.2
280.10736	1.1
319.28513	1.3
357.13342	2.8
358.14169	2.5
400.61563	1.1
401.97507	1.3
546.99829	1.1
641.32275	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01141	7.5
59.01385	100.0
61.98829	9.2
68.92545	5.4
70.88773	12.9
78.01784	6.0
84.51562	5.5
99.04546	16.7
100.04859	8.1
103.01504	66.3
121.02975	45.6
156.17271	6.0
170.52022	6.5
209.11731	7.0
435.26816	6.9
516.12573	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78038	0.3
55.01854	0.3
57.03451	0.6
59.01381	4.0
61.98832	2.6
69.05034	3.3
71.01390	3.6
73.02920	0.4
80.02667	0.7
81.03468	1.1
82.95428	0.3
83.01389	0.6
83.05034	4.3
84.02179	0.8
85.02958	0.8
87.00891	1.5
88.98806	0.4
89.02443	2.2
89.82038	0.3
93.03509	0.4
95.05025	0.5
97.02961	0.4
99.04523	0.4
100.65386	0.3
101.02440	2.6
109.06630	0.4
113.02450	1.6
119.03517	0.7
125.02424	0.5
125.06065	0.5
125.09740	1.0
127.11324	1.7
133.05081	5.9
135.08159	0.8
145.05045	0.3
153.09180	0.5
157.05141	0.3
161.04541	1.4
163.11295	3.7
165.12823	1.8
171.10277	100.0
172.10651	3.7
181.12399	0.4
191.10841	0.5
207.41954	0.3
209.11835	91.0
210.12187	4.5
227.12909	12.0
228.13240	0.5
235.08197	3.1
253.09282	8.6
361.57587	0.4
363.21899	0.4
383.11182	0.9
398.79990	0.3
407.19312	1.1
445.20700	1.0
483.16837	0.5
581.29218	0.4
617.35413	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34317	0.3
52.59206	0.2
59.01384	6.4
61.98828	0.8
69.11195	1.7
69.11613	0.8
75.00863	0.5
78.95925	0.3
90.54556	0.2
93.03461	0.6
93.35294	0.3
93.54142	0.3
96.96020	0.8
97.81103	0.3
99.04529	6.7
103.00386	0.7
103.01508	4.2
113.98631	0.3
121.02969	100.0
122.03308	3.6
161.97647	0.3
234.83398	0.3
295.93768	0.3
346.39423	0.3
367.11932	1.1
467.16760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45094	1.8
57.03442	5.0
59.01374	5.2
66.18510	1.7
70.50826	5.5
72.99326	2.1
73.02950	8.4
73.74138	2.1
80.07056	2.1
85.02962	3.0
86.50530	1.7
87.00880	2.5
99.04535	3.8
104.40434	1.7
104.97943	1.8
109.02886	2.4
109.06588	3.4
121.06636	2.2
123.04549	2.7
125.02502	2.6
133.06604	2.1
137.06105	2.9
141.07166	2.7
149.06073	2.1
161.09735	2.5
191.05605	2.7
197.05981	2.3
215.07126	4.1
222.09003	2.1
279.13904	2.5
289.10938	2.3
312.88901	2.0
335.12985	4.2
349.17932	3.8
363.12900	2.4
367.19226	2.2
375.16107	4.5
393.17197	4.3
411.18314	2.1
421.16183	3.1
437.16092	3.6
451.21045	2.3
451.65256	2.1
455.17157	5.6
473.18011	7.3
487.23508	4.1
495.20450	3.8
513.21326	16.4
514.22101	2.6
531.22272	9.5
539.19519	2.2
540.99066	2.3
557.20465	12.1
575.21362	100.0
576.21527	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
57.50819	0.9
59.01372	1.7
61.87468	0.7
61.89908	0.7
61.98835	100.0
63.17166	0.7
69.16489	1.6
69.16897	5.6
71.01381	0.8
72.99303	1.6
73.02946	3.1
76.61153	0.9
78.89331	0.8
82.95428	0.9
97.02904	0.8
98.21770	1.5
107.05054	0.9
109.02976	1.3
109.06596	1.7
109.15285	1.0
123.04562	1.3
123.08229	0.9
125.02446	1.8
135.08194	1.6
137.02438	1.2
161.02428	1.1
161.09769	1.4
163.11308	1.1
165.01976	1.5
187.07657	0.9
207.10458	1.0
263.12912	0.9
291.25888	0.8
355.15378	1.0
455.20279	0.9
457.18585	2.3
501.21719	3.9
502.21643	1.0
513.21155	1.9
518.93518	1.2
531.22302	1.9
575.21381	33.6
576.21869	6.2
619.24695	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
57.50819	0.9
59.01372	1.7
61.87468	0.7
61.89908	0.7
61.98835	100.0
63.17166	0.7
69.16489	1.6
69.16897	5.6
71.01381	0.8
72.99303	1.6
73.02946	3.1
76.61153	0.9
78.89331	0.8
82.95428	0.9
97.02904	0.8
98.21770	1.5
107.05054	0.9
109.02976	1.3
109.06596	1.7
109.15285	1.0
123.04562	1.3
123.08229	0.9
125.02446	1.8
135.08194	1.6
137.02438	1.2
161.02428	1.1
161.09769	1.4
163.11308	1.1
165.01976	1.5
187.07657	0.9
207.10458	1.0
263.12912	0.9
291.25888	0.8
355.15378	1.0
455.20279	0.9
457.18585	2.3
501.21719	3.9
502.21643	1.0
513.21155	1.9
518.93518	1.2
531.22302	1.9
575.21381	33.6
576.21869	6.2
619.24695	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87616	13.1
52.85886	14.2
57.02811	13.9
57.44567	14.5
59.01376	66.2
61.98830	100.0
71.01385	23.0
71.31149	17.0
71.31531	24.0
82.95422	38.1
85.00434	38.4
86.11233	14.6
89.02432	20.4
89.90869	14.3
96.96014	18.2
98.22272	19.2
101.02454	19.8
128.60574	16.0
168.22249	15.1
171.10260	96.9
172.10539	34.0
193.22563	16.9
209.11893	75.5
210.12170	46.5
227.12814	22.3
275.90469	14.7
295.01712	17.0
317.61865	16.4
457.18787	37.4
542.77710	15.3
567.39984	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.9
59.77166	7.2
60.99303	16.5
61.98825	36.7
69.55565	25.2
69.55972	25.5
72.99293	9.0
75.00887	11.6
85.05657	7.4
88.98817	100.0
89.02452	15.7
89.99114	8.6
96.26086	9.7
98.22622	9.5
103.24244	9.3
103.30628	8.5
112.99355	8.2
139.03947	7.5
171.10249	22.0
191.05624	13.0
209.11810	24.6
278.78192	8.0
319.91812	9.0
358.13995	12.3
390.16467	13.3
433.27173	7.9
518.76636	9.2
618.22986	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.3
61.98833	5.3
69.01604	2.5
71.01377	0.8
72.11772	0.2
73.02914	0.2
80.84856	0.2
83.05006	0.5
84.16965	0.2
84.95125	0.2
85.02920	0.4
87.00867	0.5
88.96822	0.3
88.98817	0.9
89.02445	0.4
96.96017	1.5
101.02445	0.4
113.02489	0.3
120.01260	100.0
121.01583	0.7
125.02445	0.5
126.89829	0.2
137.41376	0.2
139.07675	0.3
140.29686	0.2
163.11313	0.4
171.10280	9.7
172.10606	3.4
196.44017	0.3
209.11850	6.6
210.12166	4.1
227.12932	0.9
228.13300	0.9
235.08337	0.2
253.09344	0.8
427.37878	0.2
438.57892	0.3
531.27814	0.4
559.37262	0.2
580.21606	0.3
618.35742	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47558	68.1
53.44654	68.3
59.09346	65.0
79.33028	70.3
151.41266	78.7
220.01266	77.4
242.84903	71.5
292.81238	100.0
382.79849	81.1
447.16342	96.5
563.44794	79.3
601.26013	93.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84021	50.8
52.98840	48.7
68.37435	47.4
70.04919	48.1
87.03947	49.2
98.22607	100.0
197.19305	51.2
232.84740	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42201	2.1
59.01386	11.8
60.99276	2.7
61.98832	18.0
68.87829	1.8
69.04660	19.6
88.98817	16.0
89.02427	2.0
93.64962	2.9
99.04529	100.0
103.01506	3.6
116.92876	7.0
117.92882	2.6
145.06615	2.7
165.05605	3.3
173.06068	21.6
178.19363	1.9
201.05582	40.8
208.72997	2.3
237.02017	4.6
252.04300	9.6
253.05052	2.9
265.05124	3.3
267.06644	2.8
279.06723	2.7
280.03836	15.6
281.04572	6.4
281.08002	3.5
295.06137	51.7
296.06851	10.6
297.07553	2.7
307.06223	5.3
309.07626	3.8
310.05136	4.0
310.08371	15.2
311.09210	4.9
323.05396	3.0
325.07187	7.5
337.07224	2.5
338.07956	7.4
351.08795	2.8
353.06573	8.3
353.10352	54.8
354.10724	4.8
368.09015	6.4
383.11392	91.7
384.11697	7.8
392.71524	2.4
483.16684	24.2
484.16907	2.7
499.29050	2.0
620.21216	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.5
58.50903	1.2
67.57275	1.3
69.41894	7.6
72.99312	7.9
75.00878	81.2
77.57156	1.1
79.89577	1.2
82.91022	1.2
83.01429	1.3
96.96042	1.6
96.96934	1.6
98.38438	1.2
108.02150	2.0
109.02983	3.2
111.72798	1.2
123.04578	2.6
125.02452	5.1
137.02440	2.8
161.06123	2.3
167.03561	6.1
177.02042	2.3
177.09435	1.4
179.07156	3.1
187.04030	1.4
203.07068	2.7
207.10240	2.7
245.08237	2.6
289.07172	13.4
290.07574	1.6
292.17047	1.3
313.12958	100.0
314.13354	7.0
366.85266	1.4
435.58627	1.6
503.94498	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09902	0.3
59.01363	1.0
61.98830	0.4
69.66338	1.6
70.56119	0.3
74.51632	0.3
78.95904	0.6
83.05021	1.1
96.96010	0.4
97.06584	1.3
98.21914	0.6
99.04527	100.0
100.04869	2.1
119.74644	0.3
121.02965	56.2
122.03296	1.5
199.04178	0.4
205.12457	0.4
226.02759	0.6
241.01450	0.5
241.05113	0.9
242.02428	0.4
251.07324	0.5
253.05057	0.4
256.43118	0.4
257.04529	1.6
259.06177	0.5
264.04300	3.0
265.05084	2.3
269.04672	0.4
270.01816	1.0
273.04443	0.4
279.03497	0.4
279.06662	1.2
280.07504	0.4
281.04663	0.6
281.07986	0.6
285.04099	0.5
287.05679	0.4
292.03885	0.8
293.04565	8.3
294.05127	0.7
295.06204	0.9
295.09595	0.5
296.06973	0.8
297.04218	0.3
297.07858	0.4
299.05698	0.6
300.61212	0.4
301.03647	1.6
306.05246	0.4
307.06244	2.3
308.06915	3.1
309.04193	0.6
309.07602	0.9
311.09195	0.7
312.06192	0.4
313.03766	0.4
315.05212	0.6
316.05850	1.6
321.07770	0.6
323.09222	4.3
325.07281	1.5
331.08173	0.8
332.83557	0.4
335.05881	1.6
339.08853	1.1
340.05658	0.4
340.09470	0.9
350.08084	1.0
351.08606	0.8
353.06744	1.4
355.11938	0.6
365.10587	1.1
367.08102	3.7
368.09106	1.4
369.09918	0.9
382.10681	2.4
383.11386	6.0
385.09390	0.4
397.12918	6.8
398.13150	0.4
400.11746	0.9
415.13992	27.1
416.14041	2.0
482.15778	1.6
497.18219	42.1
498.18567	5.6
519.16602	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.0
59.98513	1.2
60.22808	1.4
61.98824	2.8
65.54886	1.0
66.87305	1.2
69.06468	8.5
78.95908	1.1
83.05034	4.0
89.55070	0.9
95.81772	1.0
98.22472	2.3
99.04527	100.0
100.04908	1.3
100.09602	1.2
118.90002	2.0
121.02965	79.7
122.03320	2.2
157.86282	1.5
193.52753	1.3
204.69870	1.1
241.05028	1.4
264.04269	3.1
265.05084	2.5
279.06622	1.4
281.04498	2.5
283.27280	1.3
292.03629	1.9
293.04608	8.1
294.05341	2.8
295.05878	1.7
296.57913	1.1
297.07300	1.2
301.99222	1.1
305.08191	1.8
307.06149	3.1
308.06879	3.4
309.07541	1.4
323.05734	1.9
323.09375	4.8
335.05579	3.1
339.08810	1.8
350.07971	3.4
351.08652	3.1
353.10284	2.2
355.11932	2.6
365.10324	6.2
367.08139	2.7
383.11417	3.2
397.12897	9.1
415.14093	2.8
465.15475	3.8
466.30902	1.3
497.18271	17.0
498.18762	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57528	0.6
79.89381	0.6
98.21830	1.3
99.04527	24.1
104.33562	0.5
119.05049	0.7
121.02966	100.0
122.03289	2.3
188.89320	0.6
264.04324	1.6
264.55057	0.6
265.05014	1.4
279.06580	1.2
280.07327	0.7
292.04022	0.7
293.04611	3.7
307.05881	0.6
308.06995	2.1
323.09354	2.0
335.05725	0.8
339.08850	0.9
367.08234	2.8
368.05545	0.6
382.10721	1.1
383.11426	2.8
397.12897	5.5
415.13846	0.9
419.69315	0.6
475.36633	0.6
497.18256	3.6
498.18872	0.7
519.16577	14.0
520.17126	2.1
531.14001	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	1.4
71.32502	1.8
74.82482	1.3
88.98798	3.1
96.96057	1.7
118.42205	1.4
120.89694	2.9
121.02968	77.3
122.03284	2.6
195.08145	1.6
237.09023	1.6
243.57983	1.4
251.07339	1.9
253.08740	3.9
255.00418	1.4
279.06613	1.5
280.07565	1.4
281.08182	6.3
293.08356	1.9
294.05396	1.6
307.06216	2.9
309.07828	10.1
321.07532	1.7
337.07187	33.6
338.07477	2.4
351.08838	5.5
352.09470	18.7
353.10025	1.8
367.11884	100.0
368.12103	8.9
433.83478	1.7
489.15637	14.2
490.16245	2.3
501.81738	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.219
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	4.1
62.77706	1.8
65.34363	1.9
70.77010	3.8
99.04525	100.0
102.44034	2.1
121.02969	51.9
162.26520	2.4
214.36626	2.3
290.72372	2.4
293.04562	3.3
319.46643	2.2
323.09268	2.9
326.73233	2.5
550.89099	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.0
61.98822	3.0
71.31078	1.4
78.24291	1.0
78.95914	1.3
82.80103	0.9
83.05035	1.9
85.02959	2.6
87.00890	1.5
93.03463	2.8
96.96008	1.0
99.04530	23.0
121.02971	100.0
122.03308	2.4
126.88080	0.9
171.10307	1.3
177.42247	0.9
181.48961	0.9
191.05655	11.5
264.04218	1.3
277.21765	1.5
293.04599	3.9
294.05304	1.6
307.05942	1.6
308.06882	1.4
309.07602	2.2
335.05615	1.5
339.08899	1.9
350.08087	1.5
351.08569	1.6
353.10394	1.3
365.10245	1.4
367.08075	1.9
397.13068	9.6
398.13498	1.2
412.44202	1.1
488.67130	1.2
519.17017	4.6
619.28168	2.0
619.78552	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87212	1.1
57.03453	19.9
59.01384	21.1
61.98808	1.7
68.97151	6.3
68.97572	5.1
69.03452	1.9
69.24734	1.1
69.46980	1.2
71.01389	2.4
71.05033	2.6
72.99307	5.1
73.02953	16.1
75.00852	1.3
83.05033	1.9
85.02954	2.0
90.86948	1.3
93.03474	1.1
95.05016	1.9
97.02959	4.6
98.45521	1.5
101.02461	3.7
107.05046	2.4
109.06615	11.9
111.04507	1.6
113.06091	2.8
121.06580	10.0
123.04518	3.8
123.08168	5.3
125.06088	5.4
133.06569	2.2
135.04527	2.7
135.08167	3.7
136.05254	4.2
137.06050	9.3
139.07668	1.8
147.08159	3.2
149.06082	5.4
149.09750	1.7
151.07658	10.8
161.06091	5.1
161.09746	5.6
163.07648	3.6
163.11322	9.6
165.05618	1.6
165.09317	3.0
166.06352	2.3
167.07161	2.7
173.09723	6.0
174.06816	2.2
175.07660	2.3
175.11322	4.4
176.08458	1.5
178.06346	2.0
179.07153	18.3
187.07521	1.8
187.11285	3.9
189.09212	12.3
189.12857	2.1
190.09756	1.9
191.07120	3.0
191.10812	6.3
200.08548	2.0
201.09277	6.7
203.10835	2.0
205.08722	3.9
207.10252	13.4
215.10796	10.2
217.08629	5.3
218.09459	2.4
219.10287	10.0
227.10832	2.1
229.12282	3.3
231.10274	2.3
236.10458	2.0
237.11311	3.7
245.11700	2.4
252.10056	1.7
253.10602	2.4
255.13910	1.6
263.09082	1.9
269.11618	2.2
280.09497	7.6
281.10205	17.3
281.15182	2.6
291.17499	1.4
293.15466	4.2
295.17035	1.7
307.11911	3.1
307.16904	1.3
309.18536	2.6
321.14969	3.3
323.16660	2.2
333.18600	4.5
335.16479	4.6
349.21725	2.1
351.19550	3.1
353.17856	1.6
361.18066	1.8
363.16144	3.7
377.17496	5.3
379.15384	6.1
379.19653	2.1
386.14148	1.6
391.22546	6.6
393.20526	1.5
395.18616	5.1
397.16296	2.5
409.23834	2.3
413.19427	3.1
417.20566	7.5
419.18570	3.5
421.16678	4.1
423.17969	1.9
435.21744	7.0
437.19690	3.9
453.22900	19.1
454.23227	2.1
455.20734	5.6
471.23911	5.3
479.20764	29.1
480.21198	3.8
481.18649	8.5
497.21857	44.3
498.22144	5.0
499.12375	2.4
499.19791	60.4
500.19885	7.3
515.22900	65.7
516.23352	8.5
517.20898	12.2
518.20795	2.1
523.19647	4.3
541.20898	12.4
542.21747	2.1
559.21875	100.0
560.22083	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14754	1.2
55.01881	2.0
57.03455	6.6
57.52680	1.0
59.01381	10.8
59.79169	1.1
69.18768	1.5
69.19171	6.9
69.93062	1.0
71.05025	3.2
73.02953	14.0
82.95422	1.4
84.37218	1.2
85.00455	1.6
93.03477	5.1
95.05028	2.1
97.02961	8.2
98.22578	2.4
101.02441	1.6
107.05045	2.3
109.06606	11.6
113.02401	1.3
121.06615	2.8
123.04552	2.1
123.08168	3.7
128.30745	1.2
131.05217	1.0
133.06596	3.6
135.04573	1.5
135.08139	2.6
137.06070	2.7
141.07097	3.4
149.06046	3.0
151.07616	2.0
157.06497	1.1
159.04547	1.2
159.08174	3.6
161.06094	3.3
161.09715	4.4
163.07651	1.4
163.11307	5.5
169.06520	2.3
173.09772	1.8
177.09193	1.4
179.07028	1.3
182.44160	1.1
185.06081	2.1
187.07645	1.5
189.09288	3.3
191.05630	1.8
191.10735	1.8
195.04478	1.4
197.06073	2.5
199.07611	2.2
199.11261	3.1
201.09253	6.3
203.10806	2.2
207.10187	1.6
211.07664	1.5
213.09146	1.1
214.06516	1.1
215.07181	4.2
215.10767	6.5
217.08667	1.6
227.10706	1.3
237.12851	3.1
241.12349	1.6
243.10271	2.3
255.13931	4.0
273.11368	8.8
273.14606	2.1
277.12332	1.3
285.15018	2.4
299.12970	2.3
305.11880	2.4
307.16864	1.8
315.17313	1.3
317.13910	15.3
319.13370	2.3
333.18643	10.6
337.14380	3.7
347.14807	4.6
351.19678	18.0
352.19958	2.5
353.17783	1.7
359.16467	5.1
365.13794	4.1
377.17596	5.9
383.14682	2.2
391.22668	2.8
395.18460	2.5
405.17084	1.8
409.23795	1.5
417.20740	3.2
421.16559	6.2
423.18262	4.6
428.14758	1.6
435.21878	3.2
439.17657	13.3
440.17563	1.8
453.23022	2.0
457.18625	6.2
461.19830	2.5
469.22244	4.9
471.24258	10.6
472.24536	2.1
479.20755	16.0
480.21173	2.2
497.21884	71.7
498.22333	9.3
515.22968	6.5
541.20648	8.1
542.21411	1.2
559.21875	100.0
560.22192	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45846	1.0
57.03446	8.5
57.26007	1.0
59.01385	8.2
61.98836	14.0
69.96387	4.3
70.79747	0.9
71.01395	1.3
71.05026	2.7
73.02948	10.8
89.31736	1.0
91.71245	1.0
93.03490	3.3
93.61549	1.0
95.05044	2.1
97.02960	5.9
98.22466	1.3
101.02438	1.8
104.14515	0.9
105.91024	0.9
107.05019	1.9
109.02962	1.9
109.06611	4.8
109.30843	1.0
121.02988	1.7
121.06593	3.7
122.03742	1.3
123.04535	1.5
123.08181	3.6
123.41724	0.9
128.73192	0.9
129.07088	1.4
133.06609	2.9
135.04576	1.2
137.06084	2.1
141.07117	3.0
145.06654	1.0
149.06119	3.8
149.09695	1.1
151.04085	1.0
151.07678	3.0
157.06694	1.0
159.08179	2.0
161.06096	1.7
161.09758	2.6
163.11308	5.2
165.05580	1.2
173.09877	1.2
175.07642	2.0
175.11496	0.9
177.05634	1.7
177.09264	1.4
179.07050	1.0
185.05925	1.2
187.07681	1.5
189.09209	2.8
191.10789	4.7
197.06102	2.2
199.07683	2.0
199.11327	2.3
201.09225	4.2
205.08739	1.1
213.09305	1.4
215.07188	2.1
215.10768	6.2
217.08752	0.9
220.80476	0.9
237.09157	1.3
237.12903	4.0
243.10260	1.3
245.11827	1.1
255.13863	3.1
261.11185	1.7
263.14597	1.0
273.11365	7.5
273.15027	1.6
277.12247	1.3
279.13959	1.0
281.15543	2.6
285.14999	2.1
291.13638	0.9
293.11871	1.2
293.15430	1.2
295.13477	1.3
299.12918	1.3
305.11816	1.9
307.17056	1.0
315.17651	1.2
317.13907	9.0
319.13400	2.0
333.18582	10.6
337.14456	2.7
347.15091	4.0
349.18433	1.7
351.19687	11.0
352.20065	1.3
359.16510	3.7
365.13947	3.9
377.17560	5.6
379.19165	1.4
383.15195	3.0
391.22888	2.1
395.18567	6.1
405.17090	2.2
417.20569	3.0
421.16589	3.4
423.18225	3.8
428.14478	1.3
435.21741	4.1
439.17542	14.5
440.17889	2.4
441.19351	1.3
453.22754	2.7
457.18716	6.7
461.19833	1.5
469.22247	8.0
471.24091	16.4
472.24368	2.2
479.20773	10.3
491.15955	1.0
497.21848	52.3
498.22449	5.3
505.39493	1.1
515.22900	6.7
516.23456	1.4
541.20892	10.4
542.21796	1.1
559.21881	100.0
560.22314	13.0
576.21484	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41072	6.9
59.01382	61.6
61.98836	79.9
71.01376	15.4
71.10233	8.1
72.17895	8.0
72.99299	17.1
73.02946	13.3
75.00876	22.3
80.68806	8.2
87.00898	13.5
88.98809	21.9
96.96011	19.6
98.22159	49.2
98.95629	11.1
99.92595	45.2
100.97962	7.0
101.02467	7.6
107.05047	7.4
115.92081	50.0
116.92883	46.2
120.01288	7.2
137.06093	17.9
171.10295	12.0
191.05620	9.9
198.93488	8.5
204.36404	8.0
209.11888	10.9
245.67557	7.6
295.13419	8.0
392.25830	8.8
439.17969	9.2
509.18521	9.9
515.23096	10.4
532.22675	12.3
559.21814	100.0
565.21149	14.2
576.21466	24.8
583.21588	12.1
619.23175	40.6
620.23846	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16224	1.3
69.09569	3.1
69.09966	6.8
71.09438	1.1
78.95922	2.3
90.83562	1.2
125.26330	1.2
151.40613	1.4
152.99593	1.5
176.34248	1.4
196.39986	1.2
246.70525	1.4
252.02699	1.5
255.23399	2.0
266.09222	1.3
389.15414	1.8
401.14148	2.1
415.15991	3.1
416.16428	12.4
429.17169	1.6
430.17706	2.5
433.20413	1.6
459.18286	100.0
460.18686	12.2
473.19891	15.7
474.20538	7.6
501.19116	2.5
518.19623	37.8
519.19763	2.8
527.20959	1.9
532.21442	7.2
533.21973	72.2
534.21960	7.1
587.23779	6.3
619.25684	61.9
620.26172	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2564
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
60.11501	3.7
63.48483	4.4
69.17714	14.0
69.18134	21.4
69.62746	3.4
90.71086	3.9
196.37929	3.9
214.28452	4.3
358.97141	4.5
415.15680	6.1
416.16449	21.2
459.18311	100.0
460.18631	13.2
465.51831	4.5
473.19778	12.5
474.20456	5.1
518.19598	32.7
519.19269	4.9
533.21893	56.2
534.22333	11.8
587.22894	5.1
619.25555	53.3
620.25708	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69827	8.8
52.40627	9.4
53.53289	9.8
61.98819	16.1
69.10400	100.0
87.07521	10.2
98.21799	22.3
119.15096	11.0
137.51202	10.8
186.39966	12.5
189.66417	11.3
295.65424	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77454	32.2
52.16669	30.3
54.34845	30.0
59.01412	30.3
61.98835	57.8
67.25159	29.3
77.91280	30.4
82.54934	27.2
98.21823	100.0
111.35950	32.5
118.44030	30.2
142.87524	32.3
144.87364	68.3
195.11760	32.3
228.91283	37.9
237.95766	32.9
274.46747	35.0
306.22162	29.3
324.07678	35.2
339.54584	32.1
381.35358	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20295	0.1
54.73006	0.1
56.97785	0.1
59.01372	0.2
61.98835	100.0
62.98525	0.2
68.97514	0.3
68.97916	1.0
69.19979	0.2
98.21786	0.2
127.37265	0.1
194.67871	0.1
415.01416	0.2
495.20181	0.2
513.21613	0.6
557.20306	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.199
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
68.99440	1.5
76.11844	0.1
84.71262	0.1
122.37512	0.1
174.68243	0.1
307.29419	0.2
451.21680	0.2
495.20856	0.2
513.21686	0.5
557.20514	1.1
558.21478	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46892	0.4
58.96922	0.6
61.98833	100.0
66.47451	0.4
70.19316	0.9
70.19666	1.3
75.28454	0.4
95.26884	0.4
107.76214	0.5
189.11041	0.4
232.62836	0.5
247.01431	0.4
265.13342	0.5
340.02286	0.5
557.20624	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88907	0.2
57.03425	0.2
59.01382	7.8
61.98838	3.0
63.02398	1.2
65.00024	0.3
65.00324	3.2
69.16814	1.8
71.01370	1.0
73.02924	0.9
81.03488	0.3
82.95407	0.4
83.01386	1.5
85.02942	0.9
85.65314	0.2
87.00869	0.3
87.04495	0.3
88.98808	0.9
89.02430	0.7
93.03486	0.4
95.01401	0.4
96.95964	0.4
99.04579	0.3
101.02454	1.0
107.01392	4.2
111.00867	0.4
113.02422	0.4
117.03469	3.5
119.05050	0.3
123.04482	0.5
124.01666	1.8
125.02470	2.1
127.04014	0.4
131.03471	0.4
134.03778	0.5
135.04536	0.7
143.03502	0.2
145.04982	0.3
149.02455	0.8
149.04465	0.3
151.00374	11.6
152.01178	6.0
155.05000	0.5
159.04532	0.6
161.02383	0.3
167.05161	0.3
167.76408	0.3
169.06610	1.1
177.05591	0.3
178.99861	4.7
180.00284	0.3
180.05820	0.4
181.06544	0.9
181.96629	0.3
183.04501	0.6
191.05560	0.4
196.05241	0.7
197.06038	1.2
199.04053	0.6
201.05638	0.6
201.11336	0.5
205.07155	0.3
224.04684	0.3
225.05583	3.1
227.03505	0.4
241.05104	0.4
247.08266	0.5
259.06119	2.1
267.16052	0.7
269.04562	100.0
270.04898	5.8
286.04868	0.3
287.05652	0.9
356.36307	0.3
621.18256	8.7
621.33820	0.5
622.18927	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
68.24789	2.4
71.27094	2.7
71.27493	2.8
81.03466	5.5
96.53418	2.4
97.02957	3.6
105.95798	2.4
109.02972	16.6
123.04506	13.7
125.02463	19.9
125.06119	20.7
137.02454	23.8
139.04024	4.0
141.66650	2.4
148.35815	2.9
149.02434	7.1
151.04018	8.1
161.02481	6.6
161.06052	4.0
165.01915	7.0
167.03392	3.1
175.03999	4.1
179.03563	4.1
189.81793	2.5
191.30278	2.6
203.07108	8.4
205.05121	10.0
245.08224	18.4
271.06216	2.6
289.07208	100.0
290.07535	7.7
299.07724	6.5
309.04099	4.5
451.12509	27.8
558.80865	3.1
621.12329	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
61.98840	2.9
68.99835	0.6
69.16757	3.3
71.01387	0.6
71.05029	7.5
78.92583	0.4
84.83489	0.4
98.22487	0.6
105.94207	0.4
115.04024	28.5
115.92113	0.6
121.02972	15.6
122.03330	0.4
126.90441	0.7
141.99072	0.6
182.31059	0.4
209.06148	0.6
211.03880	0.5
213.05547	1.3
225.05609	0.6
226.06410	0.8
227.07120	0.8
228.04700	0.4
235.04079	0.5
237.05678	1.1
238.06352	0.7
239.03490	0.8
239.07118	1.4
240.04167	0.7
241.05112	1.8
251.03426	0.8
251.07149	1.0
253.05086	1.0
253.08766	0.5
254.05879	2.4
255.02934	0.5
255.06607	1.5
264.04279	3.1
265.05066	6.4
266.05679	1.5
267.03000	0.9
267.06616	2.2
268.03912	0.5
268.07373	0.6
269.01025	0.6
269.04657	0.8
269.08145	1.3
279.06665	1.4
280.03693	1.1
280.07404	0.5
281.04584	1.5
281.08212	1.1
282.05383	2.6
282.08411	0.6
283.06052	2.4
285.04239	0.4
291.06702	0.6
292.03879	0.8
293.04614	4.3
294.05161	0.6
294.09106	0.7
295.02832	0.4
295.06113	1.9
296.06772	2.0
297.04263	0.9
297.07651	4.8
298.04868	0.9
307.06165	1.7
308.06894	2.2
309.04233	0.7
309.07520	2.8
310.01584	0.4
310.04834	2.0
310.08322	0.9
311.05511	1.5
311.09207	0.5
312.06256	0.5
321.03851	0.5
323.05548	1.0
324.06271	1.1
325.07178	18.9
326.07736	1.9
335.05579	0.8
336.06342	1.3
337.07187	2.3
338.07803	1.0
339.08649	1.2
340.09409	1.1
349.40207	0.4
351.08679	0.9
353.06674	16.2
354.07071	1.3
367.08322	1.2
368.09058	7.6
368.13385	0.6
369.09378	0.7
383.11401	100.0
384.11774	9.8
440.72742	0.5
499.16293	1.5
505.15152	14.9
506.15506	1.7
621.20135	1.9
622.19659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63701	2.1
53.05922	2.0
61.98830	5.4
62.60804	2.1
62.97801	2.0
75.12650	2.2
99.04527	100.0
121.02963	48.9
136.95015	2.4
157.86349	2.6
217.30505	2.4
239.73108	2.5
252.04085	3.7
253.05270	2.7
265.05069	2.7
267.06622	9.6
281.04532	2.6
283.02493	2.7
283.06027	6.6
285.04028	3.9
295.06107	6.6
296.07040	2.6
297.03821	4.3
309.07962	3.2
310.08517	3.3
311.05545	10.2
311.08945	3.0
313.07355	3.6
313.10950	4.1
321.04257	3.1
323.05475	3.2
324.05911	2.3
325.10825	3.9
326.07809	3.0
337.07159	4.6
338.08032	3.9
339.05045	7.1
341.10349	7.9
351.08710	6.7
352.09314	2.7
353.10608	5.8
354.07419	7.8
367.11777	3.0
368.12668	7.5
369.09683	23.8
381.13385	4.7
384.12143	19.0
399.14545	54.9
400.14771	5.0
439.10147	5.4
469.14932	9.8
484.17496	7.0
499.19855	14.3
521.17834	6.3
607.11926	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
59.63224	0.1
61.98833	100.0
69.28642	1.0
73.46229	0.1
73.75722	0.1
81.53671	0.1
89.02453	0.3
101.19855	0.1
106.92874	0.1
131.03496	0.2
143.10820	0.2
160.21956	0.1
173.04784	0.1
181.10530	0.1
183.10358	0.2
184.10579	0.1
185.11914	0.5
191.05766	0.2
358.44440	0.2
421.68500	0.2
533.24323	0.2
562.23517	0.2
579.24634	0.3
622.21802	0.8
622.31250	0.2
623.27283	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
61.98836	100.0
62.98542	0.3
69.94446	0.5
71.00918	0.1
88.98816	0.7
121.96295	0.1
245.94635	0.1
415.23578	0.2
561.22717	0.1
622.21851	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.6
60.99340	1.3
61.98835	100.0
68.02376	1.4
69.19579	8.6
69.19985	3.2
72.99326	1.5
78.91888	5.2
79.38037	1.7
80.91688	6.8
82.75942	1.6
88.98810	3.1
98.21877	2.8
98.22527	2.9
101.02385	1.8
109.03042	1.9
144.92274	1.4
209.11920	2.2
226.19096	1.6
239.27089	1.4
355.12036	1.9
366.86603	1.4
369.20566	1.7
372.31024	1.6
402.16516	2.4
417.19186	4.9
461.32822	1.9
559.22028	4.3
590.06085	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38184	0.5
59.01390	2.1
60.99313	1.2
61.98836	100.0
63.99265	4.1
64.68484	0.5
68.59188	0.5
78.91886	0.8
78.95889	0.6
87.48299	0.6
88.98830	2.8
89.02466	1.0
96.96014	0.8
98.22309	3.2
108.02117	0.4
118.26062	0.5
118.27058	0.5
118.33996	0.5
125.02493	0.8
154.06053	0.5
154.77969	0.6
214.64896	0.6
356.04886	0.5
387.14822	1.7
402.16815	0.6
417.19485	1.9
423.18723	0.7
461.29697	0.6
559.21960	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72985	0.4
61.98834	100.0
62.98534	0.4
68.97829	0.4
69.43722	0.6
69.44121	1.8
98.22176	1.4
145.27055	0.4
145.29279	0.5
149.47968	0.5
338.02390	0.5
387.14771	0.9
402.17181	0.5
417.19238	4.6
418.19922	0.5
559.22034	0.9
621.63177	0.5
622.22351	0.6
623.27423	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.2
61.98835	100.0
65.78809	3.7
69.32253	24.4
75.26608	3.4
77.38464	3.5
82.95418	5.0
85.02946	5.1
96.96005	4.3
112.98573	5.7
115.04015	18.5
115.32510	3.6
116.04319	4.0
121.02943	7.5
128.90155	5.2
193.08606	6.4
198.96872	4.2
209.11853	5.2
289.66312	3.6
326.07550	6.3
353.06836	6.1
354.07120	6.4
369.09515	4.9
383.11328	25.2
384.11703	50.0
480.26593	4.2
506.15314	7.9
559.98517	4.3
626.62726	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02845	0.2
61.98834	100.0
62.82224	0.3
68.46915	0.2
71.32449	0.5
73.36577	0.3
74.82051	0.3
126.74157	0.3
132.49940	0.3
157.86334	0.4
173.29608	0.3
205.19218	0.3
215.89641	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1618
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
59.01377	4.0
61.98806	1.8
63.02396	1.3
64.93622	0.9
65.00325	1.4
65.22850	0.9
65.98542	1.0
71.01370	5.3
71.30654	1.5
83.01388	1.2
85.02964	2.2
89.02441	2.1
93.03465	3.0
101.02473	2.1
107.01373	2.3
111.04522	1.5
115.00367	6.7
121.02946	1.2
125.02448	1.8
133.02983	1.4
134.03749	3.5
135.04546	4.9
137.02425	2.0
149.04620	1.4
151.00372	10.0
155.05005	1.2
159.04645	1.0
161.02505	1.2
171.04477	1.5
173.04581	4.3
173.05911	1.1
178.02753	2.3
178.99951	5.1
179.03622	1.4
183.04593	1.4
187.04024	1.4
191.05629	12.8
199.04059	10.1
201.01974	1.9
203.03609	1.4
207.10326	1.7
215.03479	5.0
217.79796	1.1
225.11267	3.2
226.02895	1.4
227.03479	8.5
242.02197	7.8
243.02992	41.1
244.03470	2.6
255.02985	13.0
257.04526	7.8
270.01712	8.2
271.02487	48.4
272.02914	3.9
285.04034	14.7
286.04810	3.0
287.05630	2.2
289.07205	1.5
297.21591	1.1
299.01990	82.2
300.02695	16.1
301.03549	5.8
308.09164	1.9
313.03519	2.0
314.04340	93.8
315.05069	30.7
316.05478	1.9
352.08191	3.4
397.13702	1.2
415.14676	1.2
449.14633	6.6
459.09799	2.3
526.13068	2.5
623.16223	100.0
624.16589	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
63.02381	0.5
65.00319	0.8
69.72720	1.2
76.19612	0.3
83.01371	0.6
91.01971	0.3
98.21869	0.3
101.03990	0.3
107.01420	1.6
107.41364	0.3
109.02903	0.4
125.02483	0.3
135.00914	0.4
143.04968	0.4
145.02962	0.8
147.00861	0.3
147.04544	0.4
149.02402	0.4
151.00391	5.6
155.05055	0.7
159.04514	0.4
161.02451	0.4
163.00327	0.8
169.01512	0.4
171.04465	0.9
178.24811	0.3
178.99908	0.4
183.04515	2.2
185.02446	0.7
187.04033	1.0
199.04018	6.2
200.04562	0.3
201.01912	1.1
203.03496	0.7
204.04288	0.4
211.04007	0.5
213.02013	0.3
215.03546	2.7
216.04039	0.3
226.02705	0.5
227.03516	5.4
228.03989	0.5
231.03165	0.3
242.02266	4.0
243.02991	27.2
244.03470	1.8
254.02272	1.0
255.03000	14.4
256.03540	1.2
257.04568	4.4
258.04919	0.5
270.01724	4.1
271.02496	39.2
272.03049	3.7
284.03290	0.4
285.04074	6.6
286.04855	2.5
287.05557	1.6
299.01990	56.6
300.02704	23.2
301.03110	1.6
313.03497	0.6
314.04346	51.3
315.05090	39.9
316.05466	3.2
357.06216	1.2
410.22000	0.3
517.26843	0.4
622.13837	0.3
623.16199	100.0
624.16510	14.5
634.58716	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03605	0.4
57.03465	0.8
59.01380	0.9
61.98837	4.5
68.99580	100.0
69.03456	1.1
71.01389	0.9
78.95935	0.7
85.02992	0.4
96.96028	1.0
98.22515	1.4
101.02468	0.6
112.98582	98.9
113.02467	2.3
113.06182	0.5
113.65044	0.5
113.98914	0.8
125.02460	2.2
135.93648	0.4
137.02493	0.8
151.04004	1.2
165.01938	0.6
175.03955	0.5
209.11720	0.9
228.89206	0.5
289.07129	1.0
306.95389	0.5
310.83572	0.6
355.07510	0.5
407.57733	0.5
431.26257	1.7
623.33350	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11140	1.1
59.01384	10.1
60.00461	1.1
61.98837	9.7
68.57404	1.2
70.74066	1.7
70.74415	1.2
71.01382	2.3
72.99326	2.0
73.02957	4.0
75.00868	5.0
83.01398	1.3
83.05039	1.5
85.02956	2.1
87.00873	1.6
88.98822	5.3
91.79475	1.0
93.03488	1.7
96.96050	2.5
99.92583	4.8
101.02428	1.8
107.01435	2.3
109.02979	2.9
111.81881	1.2
114.39953	1.2
116.92870	36.5
117.01940	1.2
117.92910	2.1
120.99766	1.1
121.02969	2.9
125.02444	4.1
127.92944	1.2
137.02429	1.5
146.58136	1.1
148.01724	1.3
149.02490	1.3
150.03259	1.6
151.00388	8.0
152.01186	2.9
161.02498	1.7
172.48219	1.4
174.03168	1.4
178.99860	4.0
185.02524	1.9
191.05603	5.7
203.07205	1.3
211.06778	1.3
214.02705	2.4
215.35350	1.2
225.02010	7.3
228.04301	2.0
243.02968	1.7
255.02797	1.5
263.12988	2.0
269.00955	28.6
270.01254	1.4
271.02560	3.3
281.00888	1.7
282.01694	4.3
283.02545	6.6
284.03262	2.7
285.04010	2.3
289.07162	2.5
295.02850	1.6
295.06204	3.0
309.03986	1.3
317.04706	1.8
319.06094	1.9
329.03238	2.9
333.03802	2.3
345.04053	5.7
353.03253	3.3
357.02478	2.8
361.03397	6.4
362.04123	1.9
363.05014	4.6
373.03506	27.3
374.04285	4.3
375.05270	2.1
388.83707	1.4
389.03104	14.1
390.03851	10.7
391.04501	10.9
403.17825	3.4
405.06323	2.0
418.03311	44.5
419.04047	63.6
420.04398	4.5
433.05756	1.8
434.06488	1.6
447.07224	25.9
448.07739	2.4
463.19885	2.2
478.05319	2.2
479.06119	3.2
491.26657	2.0
531.11267	2.4
565.09875	100.0
565.23547	2.9
565.29852	3.5
566.10138	14.4
593.12756	3.5
625.11914	16.8
626.12402	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.1
59.01376	5.2
59.74280	0.7
61.98822	0.8
62.52966	0.7
62.85584	0.7
65.00340	1.2
69.56717	4.5
71.01392	3.8
72.99272	0.9
78.45646	0.7
81.03489	0.7
83.01392	1.3
85.02963	1.1
87.00889	0.8
89.02432	2.4
89.16154	0.9
101.02445	2.6
104.70658	0.9
105.01933	1.2
105.43660	0.7
107.01408	2.6
108.02178	2.1
109.02934	1.1
121.02956	1.8
123.04537	2.7
124.01628	0.9
125.02480	5.7
132.14139	0.8
135.00916	1.1
137.02446	1.5
148.01688	1.7
151.00380	8.6
151.03987	0.9
152.01126	1.8
161.02513	1.3
163.00435	1.9
163.03990	1.3
164.01192	1.5
167.03488	8.1
175.03998	1.0
178.99866	7.4
191.03505	3.2
191.05653	2.4
196.00189	0.8
199.03886	0.7
209.04582	1.4
214.02774	2.5
226.02782	1.6
227.03601	3.0
242.02206	3.2
243.03018	11.3
254.02229	2.1
255.03012	21.1
256.03342	1.1
259.02411	2.2
270.01761	2.4
271.02484	68.7
271.19159	3.5
271.72733	0.8
272.02930	5.0
287.02017	10.2
288.02579	1.3
299.02014	2.3
300.02768	89.1
301.03433	15.8
312.29160	0.9
316.02240	38.2
317.02777	5.7
329.08850	3.4
433.24432	3.4
445.07788	0.8
463.08881	1.1
542.26086	0.9
565.28583	4.4
625.14130	100.0
626.14526	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	0.7
59.01142	0.4
59.01381	4.9
60.00709	0.5
60.99291	0.6
61.98824	2.4
65.00318	0.8
65.40112	0.6
71.01395	2.4
71.31071	0.8
72.99339	0.5
73.02962	0.7
74.99106	0.6
76.94199	0.4
83.01383	1.1
83.05007	0.5
85.02943	1.2
88.98819	3.6
89.02458	3.1
93.03444	0.7
95.01369	0.6
97.02943	0.7
99.04549	0.6
101.02434	2.0
107.01366	1.7
107.95129	0.6
109.02940	1.0
113.02440	1.2
117.03484	0.5
119.03474	0.7
121.02969	4.1
123.04485	1.0
124.01670	1.7
125.02460	4.0
131.03474	0.8
135.00903	0.8
136.01637	1.2
137.02405	0.9
146.73718	0.6
149.04517	1.8
151.00369	5.4
151.04024	1.5
152.01132	2.3
159.04480	1.1
161.02455	1.5
163.00381	1.9
164.01210	2.6
167.03616	0.6
171.04498	1.1
173.04543	0.8
173.08168	0.6
175.03955	0.9
177.01909	1.0
178.99896	5.4
187.03987	2.1
191.05740	2.6
197.02597	0.6
199.03949	1.2
203.03554	4.4
204.04233	0.8
209.04539	3.8
209.11911	0.6
213.01816	1.0
214.02693	2.9
215.03476	3.4
217.01378	1.3
227.03578	0.6
227.12939	0.7
231.02930	2.7
234.61258	0.5
241.01443	1.3
242.02231	2.6
243.02965	6.7
256.03513	0.6
259.02481	8.3
260.02744	0.7
268.57559	0.5
270.01718	4.2
271.02478	27.4
272.02948	2.6
276.27524	0.6
287.01999	39.6
288.02444	3.2
289.07147	0.9
298.01074	0.5
299.01978	2.5
300.02737	1.1
301.03534	0.9
315.01489	69.8
316.02234	85.4
317.02689	6.5
329.03189	1.0
330.03864	4.8
331.04599	31.5
332.04984	1.9
340.02753	0.7
355.04514	0.8
373.05618	0.7
408.95624	0.6
427.19638	0.9
433.24460	1.9
463.07968	0.5
463.21570	0.8
493.09760	1.6
565.28308	1.6
607.12646	0.7
608.48187	0.6
610.11682	3.8
625.14130	100.0
626.14441	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93840	1.6
61.98835	51.0
63.99250	6.1
69.06445	2.0
69.06847	13.1
71.01383	2.2
72.33183	1.7
73.02949	1.9
75.00909	1.7
85.02962	2.5
88.98834	9.3
89.02418	2.4
93.03478	8.6
96.96011	2.4
97.09606	1.5
99.40279	1.4
109.02952	6.8
121.02953	6.2
125.02457	6.0
129.43866	1.7
133.02943	3.1
135.51068	1.6
137.02444	3.1
139.04005	1.8
144.90976	1.6
147.00958	2.2
148.01729	2.9
149.02428	3.7
151.00359	3.6
151.03946	1.7
159.00885	5.7
161.02498	4.0
168.62698	1.7
173.04549	2.2
175.00423	8.8
176.01183	3.8
177.01950	7.0
187.00360	3.8
188.01160	4.8
191.03735	1.8
191.05641	6.4
202.99881	43.0
204.00061	2.7
213.05527	1.5
216.00653	13.7
217.01292	2.4
227.03448	3.0
230.99388	2.7
235.02396	18.6
239.03363	1.9
243.02986	2.7
247.02495	1.6
253.05109	2.2
255.02922	5.7
263.01843	4.5
263.13290	1.5
266.78204	1.8
267.03052	3.0
269.04495	3.1
271.02493	2.7
279.03003	3.0
281.01123	2.4
281.04547	3.7
281.22485	1.8
283.02570	9.2
284.02963	2.5
287.05252	1.6
295.02521	8.1
297.04071	7.1
307.02429	14.8
308.03156	2.5
309.03922	2.5
323.02029	12.8
324.02707	4.9
325.03561	13.2
327.04898	2.0
329.06815	1.7
341.06549	2.0
352.02090	10.3
353.03030	40.9
355.05051	1.7
384.04919	38.1
385.05640	68.8
386.05991	6.7
405.05844	2.2
447.07141	1.9
463.25418	2.6
478.09268	16.6
479.09763	6.3
531.11475	100.0
532.12079	12.6
539.94769	1.9
625.15564	47.0
625.37994	1.9
626.15796	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93840	1.6
61.98835	51.0
63.99250	6.1
69.06445	2.0
69.06847	13.1
71.01383	2.2
72.33183	1.7
73.02949	1.9
75.00909	1.7
85.02962	2.5
88.98834	9.3
89.02418	2.4
93.03478	8.6
96.96011	2.4
97.09606	1.5
99.40279	1.4
109.02952	6.8
121.02953	6.2
125.02457	6.0
129.43866	1.7
133.02943	3.1
135.51068	1.6
137.02444	3.1
139.04005	1.8
144.90976	1.6
147.00958	2.2
148.01729	2.9
149.02428	3.7
151.00359	3.6
151.03946	1.7
159.00885	5.7
161.02498	4.0
168.62698	1.7
173.04549	2.2
175.00423	8.8
176.01183	3.8
177.01950	7.0
187.00360	3.8
188.01160	4.8
191.03735	1.8
191.05641	6.4
202.99881	43.0
204.00061	2.7
213.05527	1.5
216.00653	13.7
217.01292	2.4
227.03448	3.0
230.99388	2.7
235.02396	18.6
239.03363	1.9
243.02986	2.7
247.02495	1.6
253.05109	2.2
255.02922	5.7
263.01843	4.5
263.13290	1.5
266.78204	1.8
267.03052	3.0
269.04495	3.1
271.02493	2.7
279.03003	3.0
281.01123	2.4
281.04547	3.7
281.22485	1.8
283.02570	9.2
284.02963	2.5
287.05252	1.6
295.02521	8.1
297.04071	7.1
307.02429	14.8
308.03156	2.5
309.03922	2.5
323.02029	12.8
324.02707	4.9
325.03561	13.2
327.04898	2.0
329.06815	1.7
341.06549	2.0
352.02090	10.3
353.03030	40.9
355.05051	1.7
384.04919	38.1
385.05640	68.8
386.05991	6.7
405.05844	2.2
447.07141	1.9
463.25418	2.6
478.09268	16.6
479.09763	6.3
531.11475	100.0
532.12079	12.6
539.94769	1.9
625.15564	47.0
625.37994	1.9
626.15796	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.41816	2.0
61.98840	2.2
69.11478	18.8
78.95896	2.6
116.92895	1.9
121.02972	100.0
152.99649	2.8
265.50952	1.9
269.60016	1.8
292.46500	1.8
304.02661	1.9
310.12720	2.4
381.13397	2.4
408.13989	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03085	1.3
57.03414	1.4
59.01378	4.2
61.84013	1.3
61.98818	1.9
68.13245	1.3
70.43523	4.3
71.01375	4.3
75.00873	4.6
85.02962	2.5
87.00878	1.3
89.02437	3.4
101.02418	2.6
105.14778	1.3
109.02937	1.5
113.02470	1.6
119.55015	1.3
121.02962	2.4
125.02430	3.8
134.03760	44.1
137.02466	9.9
139.03990	2.6
149.02438	2.0
149.06075	11.8
161.04543	1.7
173.04565	1.8
175.03821	1.6
178.02736	27.3
191.05623	6.1
193.05063	100.0
194.05402	5.1
209.04431	2.3
209.11934	2.2
245.01727	1.5
355.10419	7.9
565.28662	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35392	33.5
50.99171	34.1
56.00501	35.2
61.98823	100.0
69.39075	39.8
70.26993	50.9
70.27300	55.0
78.95899	42.0
80.91693	52.7
96.96014	66.9
134.07883	33.8
451.42551	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10493	2.4
52.44739	2.4
53.74699	2.4
57.03456	13.6
59.01371	11.2
64.88103	2.3
66.03091	2.5
71.01371	2.4
71.29987	5.3
72.99296	6.9
75.00880	73.2
75.05943	2.6
76.62180	2.4
78.95923	3.6
85.02947	9.3
85.06798	2.4
86.85118	2.9
96.96013	17.9
96.96957	3.7
97.02944	2.9
113.21462	2.4
121.06600	9.3
122.03743	2.8
124.05338	17.1
125.02419	6.2
125.06091	3.7
133.06580	2.9
135.04507	2.6
137.06078	6.6
138.38736	2.4
139.07658	61.8
143.41412	2.3
149.09749	16.3
163.07594	4.7
175.07573	3.1
179.10739	11.2
191.05594	19.0
191.10774	11.9
221.11824	18.9
239.12874	25.2
311.11389	65.4
312.11798	4.0
313.12946	100.0
314.13266	6.4
349.54807	2.4
355.58517	2.7
500.84824	2.9
512.31616	2.5
529.87958	2.4
536.25232	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95363	0.9
59.01377	5.5
61.98830	9.1
65.00332	1.1
71.01366	1.3
72.99316	1.0
73.02947	1.6
83.01379	1.4
84.43948	0.8
85.02929	1.3
88.98799	3.0
93.03476	2.2
107.01405	2.0
109.02956	1.8
116.92882	2.8
121.02929	1.4
124.01601	1.0
125.02442	3.2
126.95988	0.8
151.00352	7.4
152.01126	2.0
161.02440	1.1
165.01872	1.4
178.99844	3.4
179.99895	1.2
191.05626	3.4
198.42876	0.9
225.02127	1.0
227.03577	1.1
243.02940	1.2
253.05003	1.2
269.01056	1.2
271.02563	1.5
281.04431	1.0
284.03583	1.2
285.04199	1.2
295.06265	1.1
297.04205	1.6
297.07709	2.7
298.08405	2.2
301.03247	1.1
301.10822	0.9
308.06815	1.1
309.03934	1.0
309.07471	1.1
314.07443	1.1
325.07138	2.9
326.07935	17.3
327.08740	4.4
341.03040	2.4
341.10263	25.1
342.10791	5.0
343.08154	2.5
343.11789	1.3
353.03079	1.6
354.15619	1.0
356.12607	2.8
357.13400	1.0
358.10397	1.0
372.12000	4.4
373.03577	3.1
373.12933	15.7
387.14529	14.2
388.15048	3.8
402.16876	7.2
403.17477	2.2
405.05972	1.8
407.81046	1.0
418.03101	2.6
419.03894	2.5
427.74066	0.9
447.07248	26.6
448.07648	2.9
463.25220	2.3
487.08752	2.5
515.11951	1.5
535.18268	7.6
550.20538	4.9
565.10559	5.3
565.22925	100.0
566.10101	1.4
566.23328	15.3
593.12964	3.9
625.14557	3.3
625.37775	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.7
58.00592	1.2
59.01384	18.3
61.98822	1.7
69.03463	0.8
69.61222	0.6
71.01385	14.2
71.31320	0.8
72.99295	0.7
73.02959	2.9
74.22211	0.6
75.00894	1.0
80.02660	1.2
81.03461	1.6
83.01386	1.9
83.05029	5.8
84.02182	1.0
85.02962	4.1
87.00893	3.0
88.98830	1.4
89.02457	18.3
93.03459	1.4
95.01400	1.2
95.05030	1.3
97.02966	2.8
99.00921	1.1
101.02451	11.8
109.02957	1.7
113.02466	6.2
119.03479	4.7
120.99644	0.7
121.02969	0.8
123.04568	0.8
125.02457	6.6
128.12627	0.8
131.03528	1.0
136.99190	0.8
137.02458	0.8
143.03496	2.7
149.04573	0.8
151.00366	1.8
151.04025	1.0
161.02434	1.3
161.04556	4.0
163.11276	4.2
165.12836	2.3
173.04576	0.9
178.99895	1.6
179.03548	0.7
179.05632	2.9
191.05632	2.8
191.10756	1.9
209.11845	100.0
210.12206	4.4
221.06673	1.2
227.12900	19.3
228.13318	1.5
229.05257	0.7
235.08269	4.1
253.09325	1.6
255.02974	1.1
271.02420	3.1
272.02863	0.8
279.12430	1.2
287.02133	1.1
287.07843	0.9
289.07281	1.3
300.02728	3.2
301.03552	2.9
305.08887	1.6
316.02255	1.8
379.12613	0.7
397.13528	28.4
398.13879	1.6
415.14581	18.4
416.14914	1.3
433.24283	1.5
437.72900	0.7
565.29236	1.7
588.82562	0.7
625.14227	4.5
625.26855	1.5
626.14856	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83259	1.1
57.03463	2.4
57.36140	1.2
59.01384	66.6
61.98834	58.9
63.99249	3.9
71.01365	2.8
71.29735	1.6
72.99314	8.2
73.02934	2.7
75.00868	3.2
78.95916	8.0
79.95747	1.5
85.02955	2.4
87.00900	1.4
87.04530	6.8
88.98811	1.4
89.02450	3.9
96.96019	59.5
96.96949	14.7
97.06617	1.3
103.84987	1.2
109.06580	1.5
115.19550	1.3
121.06570	1.5
123.04494	2.6
125.02440	2.2
132.67616	1.2
135.04524	1.2
137.06125	2.0
139.07648	1.4
151.04083	1.7
154.74146	1.6
163.07614	2.4
165.09207	1.7
178.46773	1.2
181.08723	1.4
199.09793	3.0
227.09138	2.0
245.15367	1.5
251.44168	1.5
259.01965	1.5
287.16455	1.6
289.07272	1.6
337.16702	1.7
375.21899	9.0
403.17706	1.7
415.25134	1.8
463.23538	11.9
537.27094	69.5
538.20331	1.4
538.27081	8.1
547.25623	5.1
565.26563	100.0
566.26874	14.1
583.27649	2.2
607.27814	1.9
625.30005	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78009	0.8
57.03452	4.4
57.12001	0.9
59.01382	8.2
60.40952	0.8
61.98828	8.2
65.55851	1.0
69.20106	6.0
71.01392	3.5
73.02947	4.1
83.04998	1.6
85.02959	3.2
87.00857	1.5
87.04527	6.8
89.02448	9.8
98.03732	1.2
100.13988	0.9
101.02473	1.9
109.06627	2.5
113.02506	2.2
123.04556	1.4
123.08181	0.9
127.07658	1.0
128.33986	0.9
135.08261	0.9
137.06129	1.7
149.09865	0.9
161.06111	0.9
165.09052	1.2
171.08195	1.6
257.15497	1.4
267.17734	1.7
269.13843	1.0
295.17181	1.9
307.17023	1.4
309.18576	1.1
365.21515	1.3
369.20505	1.4
385.20227	3.1
387.21732	2.2
397.19885	1.1
401.19907	1.5
409.20383	1.1
427.21356	2.6
445.22235	2.2
463.23364	14.0
464.23596	2.0
475.23346	1.4
503.26620	1.7
529.24365	1.2
537.27539	1.1
547.25745	5.4
565.26581	100.0
566.26923	13.0
583.27551	2.1
625.28754	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83259	1.1
57.03463	2.4
57.36140	1.2
59.01384	66.6
61.98834	58.9
63.99249	3.9
71.01365	2.8
71.29735	1.6
72.99314	8.2
73.02934	2.7
75.00868	3.2
78.95916	8.0
79.95747	1.5
85.02955	2.4
87.00900	1.4
87.04530	6.8
88.98811	1.4
89.02450	3.9
96.96019	59.5
96.96949	14.7
97.06617	1.3
103.84987	1.2
109.06580	1.5
115.19550	1.3
121.06570	1.5
123.04494	2.6
125.02440	2.2
132.67616	1.2
135.04524	1.2
137.06125	2.0
139.07648	1.4
151.04083	1.7
154.74146	1.6
163.07614	2.4
165.09207	1.7
178.46773	1.2
181.08723	1.4
199.09793	3.0
227.09138	2.0
245.15367	1.5
251.44168	1.5
259.01965	1.5
287.16455	1.6
289.07272	1.6
337.16702	1.7
375.21899	9.0
403.17706	1.7
415.25134	1.8
463.23538	11.9
537.27094	69.5
538.20331	1.4
538.27081	8.1
547.25623	5.1
565.26563	100.0
566.26874	14.1
583.27649	2.2
607.27814	1.9
625.30005	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27911	2.3
69.28234	25.0
76.09515	3.2
78.95899	6.8
88.22912	2.9
125.02461	6.5
144.38766	2.7
152.99556	3.3
188.36797	2.6
239.16563	19.5
273.54730	3.1
281.08279	4.0
297.07620	6.1
309.07672	15.5
309.10858	3.0
310.08200	3.6
323.09393	5.7
324.10101	21.9
325.07056	7.4
325.10654	8.4
338.11813	4.8
339.12372	28.4
340.09409	5.1
340.13092	4.4
354.14642	13.7
355.11844	41.4
355.15674	4.0
356.12115	3.6
370.14124	9.5
385.16583	100.0
385.21649	4.8
386.16806	8.8
543.78467	3.0
625.33887	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20935	0.7
56.97102	0.8
61.98835	100.0
69.65251	0.7
71.28490	1.2
137.02446	1.0
151.00392	1.9
178.99922	0.8
227.03510	20.7
228.04041	0.8
229.04985	1.1
242.46815	0.9
244.09801	1.0
255.02997	34.9
256.03571	3.8
267.67038	1.1
270.07135	0.8
284.03281	57.1
285.03937	8.1
563.14081	75.5
564.14465	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01912	0.4
59.01385	0.9
61.98835	100.0
70.55959	0.5
70.56297	0.9
71.69907	0.3
81.66964	0.4
83.01412	0.6
84.22916	0.4
89.02464	0.9
108.73795	0.4
125.02467	0.5
132.02280	0.6
135.00896	0.4
151.00417	1.2
163.00420	0.6
170.22470	0.3
178.99892	0.7
183.04567	0.5
185.06154	0.4
211.03996	0.8
227.03534	20.5
228.03954	1.3
229.05031	0.9
236.01332	0.4
255.03006	37.7
256.03571	4.8
257.04413	0.4
283.02448	0.9
284.03281	66.6
285.03983	11.6
390.13327	0.4
399.07288	0.6
448.87756	0.4
451.08972	0.4
563.14081	75.2
564.14362	9.3
627.32123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08609	0.3
55.12423	0.3
61.98834	100.0
62.48082	0.3
63.96917	0.3
72.06490	0.3
80.91688	0.4
82.95415	1.6
96.96033	0.5
506.12964	0.3
588.56433	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	47.9
62.15536	35.0
64.66148	37.5
70.17746	100.0
86.08889	34.4
135.23128	35.0
155.29135	38.6
201.05992	39.4
207.92819	41.7
255.18900	42.9
321.39005	47.6
554.54871	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02129	6.4
57.03443	11.9
58.08046	5.8
71.01384	15.1
71.29210	7.4
71.64179	6.5
78.02600	5.9
78.95944	6.4
85.02961	100.0
93.03473	13.5
96.96026	9.5
98.56316	6.4
109.03003	13.0
119.05045	17.9
120.01264	23.7
125.02405	35.2
129.01956	26.8
129.05765	6.4
137.02475	28.7
145.02986	20.6
145.80493	6.3
147.03029	28.8
149.02443	14.6
151.00381	18.2
151.04057	12.2
163.04059	22.5
165.01884	13.1
167.03493	12.3
173.00844	8.4
173.04564	7.8
175.04102	7.3
177.01973	8.7
191.05656	80.0
215.72934	6.3
244.58076	6.8
268.47107	6.8
289.07141	24.1
293.06708	17.9
301.03503	30.7
301.06995	16.0
337.05704	18.9
337.09409	14.4
337.14682	10.6
345.15494	8.2
627.18829	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95872	1.2
57.03448	2.0
59.01374	4.2
61.98828	5.2
67.01881	2.1
71.01392	3.2
71.30964	1.2
72.99284	1.8
73.02969	1.5
81.03449	2.0
83.01387	2.0
85.02959	17.8
87.00890	5.4
93.03465	8.1
94.38107	1.4
99.04523	2.6
109.02951	1.6
111.04522	2.8
115.60732	1.1
121.02954	1.4
123.04531	1.3
125.02467	7.7
127.04035	3.5
135.04585	1.7
137.02469	4.7
151.00363	1.9
155.43979	1.3
165.01886	6.8
167.03471	6.4
173.04614	3.5
177.02010	1.6
185.06120	2.7
191.05618	100.0
192.05943	2.8
195.04491	1.5
197.06091	7.0
199.03960	1.7
207.63173	1.2
211.04025	2.2
212.04892	2.9
213.05623	5.3
214.02725	5.0
215.07227	4.9
217.05029	1.6
223.04051	2.7
225.05568	8.7
226.02789	3.6
227.03561	5.0
229.01436	15.5
230.02335	2.2
235.04016	1.6
236.04546	1.6
239.03662	2.3
240.04301	4.6
241.02655	1.7
241.05099	26.1
242.02272	3.9
242.05429	2.4
243.06616	4.4
251.03450	8.6
253.05043	7.1
255.02997	1.6
261.05536	1.5
263.03482	6.7
264.04349	3.4
265.05029	3.1
267.03040	7.1
269.04553	18.3
269.07193	2.0
271.06189	1.6
272.03171	2.1
279.03006	1.9
281.04538	2.3
287.05630	2.6
297.04019	12.0
303.06747	2.6
305.04715	1.7
305.08316	1.6
315.05292	2.8
345.07605	1.7
349.07236	3.5
373.07275	3.6
389.06821	6.6
391.08334	4.7
409.08951	1.7
413.22104	1.3
417.06201	9.5
435.07101	31.2
436.07568	2.8
453.08066	8.2
468.92252	1.3
489.10599	13.8
582.38910	1.5
609.12524	3.8
627.13635	60.7
627.30573	3.9
628.13855	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02129	6.4
57.03443	11.9
58.08046	5.8
71.01384	15.1
71.29210	7.4
71.64179	6.5
78.02600	5.9
78.95944	6.4
85.02961	100.0
93.03473	13.5
96.96026	9.5
98.56316	6.4
109.03003	13.0
119.05045	17.9
120.01264	23.7
125.02405	35.2
129.01956	26.8
129.05765	6.4
137.02475	28.7
145.02986	20.6
145.80493	6.3
147.03029	28.8
149.02443	14.6
151.00381	18.2
151.04057	12.2
163.04059	22.5
165.01884	13.1
167.03493	12.3
173.00844	8.4
173.04564	7.8
175.04102	7.3
177.01973	8.7
191.05656	80.0
215.72934	6.3
244.58076	6.8
268.47107	6.8
289.07141	24.1
293.06708	17.9
301.03503	30.7
301.06995	16.0
337.05704	18.9
337.09409	14.4
337.14682	10.6
345.15494	8.2
627.18829	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49438	0.2
52.58624	0.2
57.03442	0.5
59.01375	1.2
61.98826	0.8
67.01888	0.6
68.99904	2.3
69.03448	0.3
71.01371	1.0
72.38425	0.2
73.02941	0.5
78.95928	0.2
81.03462	0.5
83.01376	0.3
83.05021	0.5
84.84566	0.2
85.02957	10.1
87.00886	2.1
88.98800	0.5
92.90032	0.2
93.03470	4.8
96.96035	0.9
97.02938	0.2
98.21715	0.4
99.04527	0.8
101.02444	0.4
109.02960	2.4
111.04549	1.1
119.05025	0.8
123.04538	0.9
125.02465	0.8
127.04017	2.1
130.00027	0.2
137.02429	0.5
145.02979	0.5
151.04045	0.7
153.01953	0.2
155.03534	0.4
161.02495	0.5
161.04556	0.3
163.04048	1.1
165.01941	0.3
171.03035	0.8
173.04498	1.5
175.04059	0.3
177.01988	1.0
179.03549	0.3
189.01942	1.4
190.02660	0.4
191.05623	100.0
192.05971	3.0
203.07219	0.3
205.05034	0.3
210.96536	0.2
217.01442	1.5
219.02951	0.6
231.02998	0.6
245.08232	0.3
272.02692	0.2
277.68625	0.2
283.06113	0.4
289.07196	1.5
337.09299	1.0
341.06683	4.1
342.06927	0.4
435.10901	4.9
436.11414	0.6
453.11694	0.3
601.82056	0.2
627.23065	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.3
59.01381	1.6
59.81147	0.3
60.99302	0.4
61.98834	2.0
67.22192	0.3
69.03468	0.3
69.36095	1.9
71.01377	1.3
73.02949	0.7
81.03455	0.5
83.05033	0.4
85.02959	9.5
87.00888	1.5
88.98819	2.0
89.02448	0.3
93.03468	3.9
98.21819	0.6
101.02433	0.4
109.02962	1.7
111.04532	1.0
116.92953	0.3
119.04970	0.6
121.02953	2.2
123.04535	0.6
125.02459	0.6
126.27901	0.3
127.04020	2.1
137.02399	0.8
163.03999	0.5
165.01950	1.2
173.04527	1.5
177.01921	0.4
189.01912	0.8
190.02881	0.3
191.05624	100.0
192.05975	2.7
209.04530	2.7
217.01424	0.4
261.59387	0.3
285.04218	0.3
289.07132	1.0
301.03583	0.4
301.06927	0.3
341.06799	1.1
348.27277	0.3
378.74643	0.3
435.10944	1.1
436.11099	0.4
570.32452	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
59.01377	1.6
61.98822	0.4
67.01874	0.4
69.03439	0.2
69.33636	1.6
71.01388	1.0
73.02944	0.5
79.17360	0.2
81.03484	0.5
83.01398	0.2
83.05024	0.6
85.02956	12.0
87.00880	2.3
88.98794	0.3
93.03467	3.7
96.96033	0.2
97.10891	0.2
99.00893	0.2
99.04532	0.6
109.02969	1.6
110.96738	0.2
111.04527	1.2
118.99967	0.2
119.05045	0.5
123.04534	0.8
125.02467	0.4
127.04024	2.4
137.02451	0.3
147.04536	0.2
151.04018	0.4
155.03543	0.4
159.04465	0.2
163.04025	0.4
171.02953	0.7
173.04535	1.4
177.01976	1.0
180.82738	0.2
183.36183	0.2
189.01884	1.4
190.02715	0.3
191.05620	100.0
192.05978	3.5
196.25157	0.2
203.07132	0.4
216.00603	0.3
217.01443	1.7
219.03026	0.7
231.03069	0.4
245.08083	0.2
275.95386	0.2
289.07272	1.0
341.06674	3.6
342.06961	0.4
372.58252	0.2
435.10803	4.2
436.11157	0.6
437.65869	0.2
444.54721	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
70.33167	13.5
85.02959	3.8
89.69632	3.6
91.01889	3.5
93.03452	8.0
101.22262	3.9
108.67471	3.9
109.02979	5.3
109.82681	3.8
111.00913	4.3
119.01392	4.7
119.05051	41.2
121.02976	7.7
125.02442	22.5
137.02435	16.5
147.00897	14.9
149.01445	3.4
149.02388	20.7
151.40845	3.9
163.04016	100.0
164.01134	7.0
164.04243	4.0
165.01904	5.6
166.02728	6.8
167.03452	10.1
173.04515	3.9
175.00377	62.5
176.00815	4.9
191.05588	11.3
192.00694	8.8
215.03487	4.8
217.76897	3.7
227.39861	3.6
243.52493	3.1
257.04495	5.0
285.03854	5.4
289.07236	4.1
301.03555	20.0
302.44540	3.3
309.72034	4.3
337.09305	31.0
355.43427	4.2
475.14545	31.1
501.12469	7.8
627.15552	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	1.0
63.52983	0.6
68.06007	0.6
68.99837	0.7
69.08895	0.7
70.06520	2.0
73.96793	0.6
84.10065	0.5
93.03518	0.7
94.23776	0.6
94.85302	0.5
104.94025	0.5
108.02190	0.7
121.02966	61.2
122.03303	2.0
145.23413	0.7
212.04729	0.6
213.05598	1.7
223.07747	0.6
225.05408	0.7
226.06471	0.9
237.05640	1.4
238.06332	1.0
239.07132	1.6
241.05103	2.0
251.03366	0.7
251.07198	1.2
253.05135	1.1
254.05800	1.5
255.06473	1.1
263.07120	1.0
264.04190	3.1
265.05014	6.9
266.05792	1.1
267.02911	1.1
267.06619	1.4
269.08252	1.1
279.06595	1.9
281.04501	1.2
281.08023	1.0
282.05237	2.4
283.05966	1.4
293.04584	5.3
294.09039	0.7
295.06049	1.9
296.06964	1.6
297.07611	5.8
307.06134	1.2
308.06903	2.3
308.80948	0.6
309.07715	2.3
310.04852	2.0
311.05573	2.7
311.08954	0.7
321.04080	0.8
323.05670	0.9
325.07196	18.4
325.11075	1.0
326.07663	1.9
335.05588	1.3
336.06442	0.9
337.07129	2.0
339.08426	1.5
349.07532	0.6
351.08633	0.9
353.06662	17.6
354.07172	1.6
367.08292	1.2
368.09076	7.1
383.11374	100.0
384.11691	8.5
505.15100	10.2
506.15347	1.1
627.18036	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28413	0.2
55.48029	0.2
59.01382	2.2
61.98838	1.8
71.01379	0.6
71.05037	0.3
73.02940	0.5
75.00877	6.3
78.95891	0.3
81.08828	0.2
82.95415	1.2
85.00413	0.3
85.02968	0.3
87.00875	0.4
89.02460	0.4
96.96037	0.6
99.00890	1.0
99.92589	10.5
100.92594	0.3
101.83144	0.2
114.93407	0.4
115.04044	0.5
116.92869	100.0
117.01941	3.3
117.05598	0.7
117.92871	5.1
139.74495	0.2
205.62962	0.2
209.11765	0.3
209.64485	0.2
465.32303	0.3
597.36627	0.3
614.82758	0.3
627.29108	0.4
627.37500	1.6
628.37311	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15964	0.5
59.01370	1.7
60.99312	17.2
61.98835	0.8
64.76252	0.5
69.79968	1.9
71.01382	0.8
74.53809	0.6
84.07513	0.5
88.98811	100.0
89.99123	0.7
93.38955	0.5
102.90405	0.5
103.57979	0.5
108.02170	1.1
121.02960	1.5
123.04556	0.7
125.02448	1.2
136.30383	0.5
137.02425	0.9
139.04024	0.8
148.90962	0.7
150.03174	0.6
151.00339	0.7
167.03601	0.6
168.75989	0.5
177.02019	0.8
191.05602	0.6
196.95245	0.5
209.04582	0.7
217.95692	0.6
244.54254	0.7
250.94180	1.3
256.00806	0.6
271.02432	0.6
272.02899	0.6
273.03049	0.7
275.89743	0.5
287.01941	0.6
288.02457	0.6
295.48569	0.5
316.02203	1.3
317.02521	1.7
318.02957	1.3
345.13608	0.9
627.14362	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2104
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
61.98819	2.8
70.81463	5.1
152.85022	2.4
169.27174	2.6
452.15341	3.8
481.15176	9.0
482.16199	2.8
495.16702	21.8
496.16968	3.6
536.16718	5.1
540.16699	3.0
551.19366	47.8
552.19647	7.9
572.15106	4.5
586.17914	2.9
595.18530	8.9
596.18164	3.1
627.20984	100.0
628.21106	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2105
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
51.31308	1.1
51.81385	1.5
73.02933	1.5
78.95909	1.3
107.62630	1.2
131.47255	1.4
221.82779	1.3
228.88974	1.5
441.80252	1.1
449.15155	1.4
451.14456	2.1
452.14926	2.9
481.14990	7.7
482.15652	2.3
493.15076	2.1
495.16702	17.1
496.17047	3.4
500.40009	1.4
508.17459	1.6
516.83405	1.4
523.16479	2.3
535.16486	1.6
536.16833	3.1
540.16492	4.0
551.19434	37.4
552.19867	8.4
553.17462	1.3
554.16095	1.4
572.15533	2.7
586.17438	2.2
595.18463	8.0
627.21069	100.0
628.21246	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99324	0.8
61.98828	3.7
71.28881	1.1
78.95916	0.7
82.95417	4.4
84.95129	16.7
85.00441	100.0
96.95998	0.9
109.84119	0.7
117.96632	0.6
130.21703	0.6
152.99487	0.7
188.94307	0.7
278.63306	0.6
311.22546	0.7
465.36063	1.0
594.70813	0.8
627.27478	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32491	2.5
69.32915	2.2
69.85480	0.7
72.74290	0.6
79.71758	0.6
93.03483	1.0
98.21827	0.8
120.85350	0.7
121.02972	100.0
121.41111	0.6
122.03346	4.0
127.60800	0.6
132.70360	0.6
179.02716	0.6
250.02396	0.7
267.06738	1.5
279.06711	2.0
294.09045	1.7
295.06238	1.6
297.11588	1.1
307.06219	1.9
309.11404	1.2
310.08484	0.9
322.08548	1.1
323.05670	2.9
325.10861	2.8
337.10965	3.8
338.07813	0.9
338.11465	0.8
352.13367	1.6
353.10315	9.8
354.10861	0.9
368.12668	6.2
369.13077	1.2
383.15030	26.6
384.15439	3.2
445.09106	0.9
505.18848	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00136	1.2
53.57611	1.0
57.03456	1.2
57.25121	1.0
58.32967	1.1
59.01385	100.0
61.50749	0.9
61.98838	65.7
63.67476	0.9
64.65726	1.3
69.03456	1.4
72.99297	1.6
80.39258	1.0
80.96523	1.3
82.95402	1.4
85.02930	1.2
88.98820	1.2
89.02435	1.2
96.96020	3.8
97.02960	7.9
98.21927	5.1
98.22609	2.3
111.04543	2.8
121.02966	1.4
123.83484	1.0
125.02414	1.1
137.02472	1.6
137.06055	1.5
146.47243	1.1
159.04533	1.1
163.07663	1.2
185.07489	1.1
191.05650	4.1
209.11775	1.5
218.66403	1.1
315.27490	1.2
385.50577	1.2
405.22763	3.3
417.11755	1.6
433.22311	5.6
451.23413	2.9
493.24634	1.6
513.24799	2.1
531.26123	18.6
532.26617	2.7
539.27789	2.2
549.27209	3.6
567.26733	3.6
591.28326	16.9
592.28564	2.6
627.25629	5.9
627.34991	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49174	1.0
51.81666	1.0
55.61718	0.9
59.01388	1.1
61.87098	1.0
64.48001	1.0
71.30151	1.3
72.99313	6.2
75.00877	100.0
78.16327	0.8
85.02927	1.3
90.48930	1.0
122.03683	1.0
123.04536	1.3
125.02431	1.4
136.05223	1.0
137.06140	1.3
179.07124	3.3
191.05611	13.6
192.91924	1.2
207.10316	3.0
280.85458	1.0
313.12943	89.2
314.13214	6.5
618.66748	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2818
Annotation	Primary fluorescent chlorophyll catabolite
Peak:m/z	Relative Intensity
57.03456	4.8
59.01386	31.0
61.98838	23.0
68.99558	12.7
70.03918	3.3
71.00989	3.9
71.01379	12.8
71.04996	3.8
71.31831	7.4
78.95915	50.9
82.95415	8.8
83.05032	14.6
85.02950	5.9
85.77998	4.0
87.00876	4.2
96.96019	13.0
96.96976	15.9
99.04525	9.8
103.01486	6.4
103.61446	4.0
112.98586	14.3
115.00399	30.3
115.04022	6.5
116.92896	14.5
125.02453	5.9
126.07125	3.8
129.01945	4.9
136.05209	5.3
140.76358	4.0
143.51367	3.4
151.40569	3.8
152.99609	54.6
153.09134	4.9
169.12338	5.0
179.80405	3.6
197.11873	6.1
199.13394	12.7
209.11841	16.1
211.13402	11.5
220.74251	3.3
223.00102	3.9
241.01140	19.2
252.04062	3.7
256.20435	4.7
266.72598	4.6
293.21365	6.5
293.86804	3.9
311.22302	30.4
312.22751	4.4
315.04852	12.8
439.22794	4.2
567.25952	15.7
568.26233	5.4
627.27899	100.0
628.28271	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71425	1.1
61.98837	5.3
67.04177	1.1
69.03462	5.7
69.03876	5.8
85.27797	1.0
98.21824	2.1
107.01376	1.6
108.02186	1.8
148.01747	1.1
151.00388	3.1
163.00485	1.2
163.33974	1.1
178.99881	3.7
227.03552	3.3
243.03015	8.8
243.06834	1.4
254.02199	1.6
255.02988	23.2
271.02493	52.6
272.02969	4.8
288.35031	1.2
300.02777	100.0
301.03253	9.5
305.74857	1.1
429.21353	1.3
565.12018	96.7
566.12311	11.8
598.56683	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.31554	0.3
71.01410	0.3
73.02924	0.2
82.37556	0.2
84.74095	0.3
85.02959	0.4
91.21518	0.2
92.24026	0.3
95.31247	0.2
124.54443	0.2
125.02502	0.3
136.65297	0.2
147.16928	0.3
184.19534	0.3
191.05634	1.4
192.06148	0.4
232.94084	0.3
258.74026	0.2
260.77606	0.3
269.04813	0.4
283.02380	0.3
436.07291	0.4
628.14679	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08028	0.2
61.98834	100.0
69.07372	1.2
69.07796	0.7
70.82735	0.2
87.28657	0.2
98.21941	0.9
112.09071	0.2
148.63866	0.2
151.93777	0.2
195.05424	0.2
214.74673	0.2
287.44608	0.2
289.71851	0.2
485.57056	0.2
629.22174	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15816	0.2
61.98834	100.0
69.06917	2.1
69.67169	0.2
70.36561	0.2
82.95412	0.3
93.03561	0.3
96.96039	0.4
96.99873	0.3
135.46680	0.3
149.94810	0.2
211.62141	0.3
250.18964	0.3
513.78387	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.4
61.98834	100.0
63.86244	0.2
76.05796	0.2
78.95934	0.3
89.02454	0.3
91.97333	0.1
94.60819	0.2
96.96050	0.2
98.18521	0.2
118.07644	0.2
118.27053	0.2
149.04599	0.2
150.03337	0.2
155.85339	0.2
157.85551	0.2
245.83250	0.2
391.16440	0.2
395.08081	0.2
401.28333	0.2
554.31226	0.5
568.27667	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53025	16.3
71.28645	20.8
75.00878	83.3
79.24330	18.6
97.27193	17.2
106.34258	14.3
109.02955	17.0
110.47421	15.9
125.02416	100.0
137.02484	39.7
161.02429	22.0
165.01849	19.9
177.01926	37.8
178.21895	15.0
197.05847	20.2
289.07181	43.2
295.23007	15.6
297.86975	14.1
303.05396	14.2
305.06580	27.4
313.13037	70.4
374.34702	16.8
407.08035	33.8
411.37915	17.1
423.07425	20.4
425.08743	41.0
519.24048	15.0
593.12933	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42795	1.8
59.01389	4.1
60.99306	2.0
61.98827	7.9
71.01380	3.1
71.32083	2.8
72.47995	1.9
72.99300	3.1
88.98808	11.7
89.02456	2.9
96.96034	9.4
101.02493	2.1
102.47868	1.6
107.01411	3.5
109.02946	2.1
115.00394	1.8
120.01257	3.1
121.02921	1.7
123.04553	4.6
125.02448	9.1
137.20590	1.7
145.02849	1.6
151.00369	8.3
151.04045	2.2
178.99841	3.6
185.06165	1.8
191.05634	6.6
199.03989	2.5
227.03520	20.9
229.05031	8.5
243.02968	8.7
255.03012	29.2
256.03537	2.8
257.04538	5.9
271.02481	26.2
272.02762	2.1
284.03287	28.6
285.04065	100.0
286.04419	7.2
299.01978	45.6
299.05167	1.2
300.02747	20.5
301.03210	5.0
303.05136	7.6
314.04321	26.4
315.05103	9.2
347.84253	1.9
358.75916	1.7
431.23224	1.9
575.14032	33.1
576.14276	4.4
593.15179	75.8
594.15186	10.5
629.28217	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.5
60.43884	2.1
61.98831	19.5
66.70470	2.0
69.00947	3.9
78.95918	5.0
81.03472	2.4
82.95392	2.9
83.01394	3.6
93.03433	4.1
95.01379	2.5
96.96026	24.3
96.96983	10.2
97.02970	8.6
109.02966	35.2
117.58025	2.1
119.04971	2.1
121.02951	8.7
122.03749	2.9
123.04527	18.0
125.02467	10.3
135.04536	3.7
137.02467	30.2
139.04012	11.6
147.04536	6.2
149.02460	17.3
150.03183	2.7
151.04031	18.3
159.04468	4.2
161.02527	5.0
161.06062	3.2
162.03220	2.5
163.04013	4.8
164.01131	3.4
165.01938	7.7
174.03270	2.4
175.04012	10.4
176.01187	3.9
177.01881	3.0
178.02649	4.2
179.03499	9.3
187.04056	3.9
188.04890	2.9
189.05426	3.3
191.03528	8.0
197.06107	3.4
203.03687	2.1
203.07182	9.3
205.05054	4.0
213.05554	10.1
215.07130	42.2
216.07433	3.4
245.08185	13.1
257.08170	15.0
289.07211	61.8
290.07507	2.9
301.07190	100.0
302.07556	8.5
315.08585	2.7
327.12421	4.4
549.70129	2.2
610.94818	2.4
629.20337	20.0
630.20740	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.8
61.98825	5.7
70.51910	3.8
71.29098	4.6
75.00862	16.6
78.48198	4.4
82.95400	8.2
84.95119	31.0
85.00439	100.0
96.96012	9.1
99.73924	4.9
99.92584	14.0
101.88104	4.7
113.69357	3.8
116.92871	92.3
117.01962	5.1
119.61099	4.2
132.87219	4.0
218.55774	5.8
330.89267	4.2
356.86642	4.4
431.58612	5.1
532.92896	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.2
61.98839	15.9
68.99564	5.6
69.03468	3.0
69.14130	1.9
71.01389	4.0
71.05022	67.2
71.31899	4.1
72.99342	2.1
75.00867	2.0
78.95934	2.0
82.95399	2.8
83.05016	3.0
84.95146	2.4
85.00436	7.5
87.00899	2.2
88.71449	1.8
96.96041	3.4
99.04517	17.4
99.92609	9.6
101.02457	3.0
101.06094	15.0
103.01524	8.8
112.98595	6.7
115.04044	2.3
115.92064	2.5
116.92873	82.2
117.92886	5.0
129.05600	3.7
145.05061	3.3
147.06648	100.0
148.07014	2.6
163.24026	1.8
165.01958	2.8
166.02715	4.9
171.10304	4.0
177.72678	2.1
185.11894	2.7
197.11842	3.4
199.09798	2.8
211.13399	6.8
231.08955	2.1
341.10211	2.4
399.10898	20.9
499.16132	37.1
500.16147	5.9
629.19733	3.1
629.37823	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67210	1.4
58.42867	1.4
59.01385	100.0
60.99314	7.8
61.98835	5.3
70.06342	4.4
71.01380	2.4
73.02989	1.6
88.98814	42.9
89.02428	6.9
96.96018	13.0
99.04565	1.4
109.02959	2.3
111.27034	1.8
118.37460	1.6
121.02965	4.0
122.03760	3.8
125.02441	4.5
127.19170	1.5
137.02380	2.3
149.02451	40.5
150.03244	31.1
151.03983	1.6
162.20645	1.5
164.04805	13.0
165.05574	53.1
180.04214	2.4
181.05115	2.8
183.67697	1.6
189.06679	1.7
193.08731	3.7
195.06630	53.5
196.07227	4.4
211.09755	6.4
289.07153	3.7
297.82581	1.6
313.10803	2.5
323.12436	2.0
344.12570	15.6
359.14999	82.6
360.15271	6.1
407.17087	51.8
408.17633	4.5
485.17664	2.0
591.19562	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35955	2.2
53.08730	2.0
55.01867	2.8
57.03451	3.0
59.01380	4.8
60.94859	2.2
69.03474	3.3
70.15214	5.6
71.05006	3.3
73.02951	12.6
75.97945	2.8
78.84538	2.1
81.03444	4.3
83.05013	4.1
84.43104	2.2
85.02962	3.2
86.65953	2.1
87.04514	4.7
97.02935	2.6
97.06624	3.3
98.21816	2.3
99.04529	44.1
99.08166	7.2
101.67316	2.2
107.05036	12.6
109.06593	5.7
111.08186	6.3
112.05296	3.0
121.06599	3.7
123.04565	11.5
125.06049	7.2
126.03276	2.7
127.04028	3.7
127.07671	100.0
128.08046	3.7
133.06615	2.8
135.08218	2.2
137.06197	2.2
145.05084	9.9
147.04512	3.9
147.08195	2.8
149.06055	2.9
149.09712	2.3
155.07152	4.8
159.04527	5.0
161.06213	3.0
163.85277	2.5
171.06621	4.0
173.08217	14.2
175.04005	4.1
189.09219	20.8
191.10796	10.9
209.09886	2.6
213.09251	2.6
229.12360	4.3
231.10190	3.4
235.07518	4.5
237.09212	8.5
239.10776	3.0
251.10768	14.1
252.11311	3.0
253.12332	8.2
277.12323	8.1
279.13876	6.0
293.11935	16.4
295.13403	29.1
297.14987	5.0
311.12967	4.6
313.14401	21.8
323.16513	9.2
337.10834	19.6
338.11111	3.0
339.12396	25.5
341.14008	7.4
355.12054	2.7
357.13516	19.9
359.14896	5.8
367.15350	12.4
405.20959	6.3
423.21783	9.5
439.75488	2.8
449.19620	13.6
467.20764	35.8
468.21039	4.1
485.21902	5.3
493.18765	10.1
511.19836	19.3
512.20044	3.0
529.20782	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83472	1.0
59.01383	100.0
61.98835	2.2
62.60957	0.9
69.10281	2.6
69.10691	5.8
71.01385	2.8
75.00877	2.0
87.00899	2.6
96.96013	1.7
99.04529	1.5
102.91747	1.0
103.00393	3.1
103.01503	80.9
112.98620	1.1
115.92113	1.1
116.92889	2.3
133.05086	5.7
148.84712	0.8
183.44365	0.9
207.03300	1.0
211.13470	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01702	1.5
61.98823	2.6
71.01384	1.6
75.00881	1.7
82.30322	1.3
82.81745	1.0
87.00853	1.8
95.99046	1.1
96.96015	1.1
98.22535	2.7
103.00404	2.4
103.01506	72.5
116.92877	3.4
133.05061	6.4
180.78928	1.2
262.12378	1.2
329.02863	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05505	0.3
51.65997	0.4
59.01384	100.0
60.01714	0.8
61.98836	0.7
69.07381	4.3
71.01374	0.7
75.00878	1.6
82.95407	0.4
93.18154	0.4
96.95999	1.1
103.00388	4.2
103.01506	79.7
104.01829	0.9
107.87178	0.5
116.92877	0.5
123.04539	0.6
124.18449	0.4
125.02428	0.8
143.29877	0.5
148.75940	0.4
148.77296	0.4
183.10326	0.5
190.20593	0.4
265.69681	0.5
281.11978	0.5
348.16953	0.4
467.16678	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99802	0.9
71.30599	1.7
95.98500	1.1
98.90878	1.0
131.39166	0.8
160.84276	1.0
180.74786	0.9
401.19910	0.9
405.31647	6.6
423.32684	35.7
424.33112	4.4
449.30627	10.4
450.31195	1.9
467.31671	100.0
468.32071	13.4
509.32642	2.1
510.32425	1.1
629.37219	6.4
630.38116	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.3
58.02979	10.7
59.01387	8.6
61.98841	7.1
64.97535	1.0
70.02989	5.2
71.29607	2.1
72.00903	3.1
76.17838	1.0
80.85981	1.2
88.98837	1.0
91.05526	4.7
108.01998	1.1
109.02971	2.6
121.02968	1.6
123.04541	2.9
125.02444	4.0
147.04536	21.6
155.10764	3.2
161.06053	1.3
164.07172	57.2
165.01881	2.3
165.07561	1.9
174.46870	1.1
177.01794	1.3
186.90434	1.1
195.06621	1.6
199.09715	3.1
206.08229	100.0
207.08531	4.4
282.06854	1.1
289.07230	5.4
314.34708	1.1
344.12323	1.3
359.15201	1.8
360.15363	2.4
379.16095	4.2
408.17438	1.5
451.04309	1.2
451.13904	8.0
569.64099	1.3
590.71564	1.2
631.19678	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58466	0.2
59.01381	0.5
61.98835	100.0
71.32187	0.2
71.32566	0.2
76.98398	0.1
80.09798	0.2
82.71677	0.1
116.92903	0.5
130.68933	0.2
235.18649	0.1
355.59210	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53403	0.2
55.71728	0.2
57.32859	0.2
58.31760	0.2
59.01381	0.9
61.98835	100.0
69.47176	0.2
71.01397	0.5
72.51300	0.2
72.99319	0.2
75.48383	0.2
78.95912	0.9
82.95402	0.4
88.98845	0.5
89.02458	0.4
96.96020	2.5
96.96996	0.2
98.22175	1.1
99.04543	0.4
99.92644	0.2
100.32274	0.2
101.02471	0.4
105.41726	0.2
116.92891	0.6
123.53354	0.2
124.35378	0.2
125.02425	0.4
140.31889	0.2
161.43811	0.2
171.10388	0.2
183.10339	0.3
185.11894	0.3
191.05717	0.5
201.11435	0.6
209.11908	0.7
211.13411	0.4
253.09480	0.2
271.17859	0.2
292.75494	0.2
430.08316	0.2
529.93646	0.2
630.39618	0.8
631.34369	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.9
61.98838	1.1
65.99248	0.5
69.08005	5.9
73.05894	0.6
95.05014	0.7
116.75910	0.5
120.01266	100.0
121.01610	1.8
146.15822	0.6
154.98384	0.5
245.56181	0.6
269.04730	0.7
271.25568	0.7
284.03198	0.7
285.04083	1.7
465.26620	2.0
509.25858	0.8
543.24286	17.6
544.24823	2.6
630.27460	56.9
631.27826	9.4
650.41193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40139	2.5
57.88792	2.2
59.01376	6.1
61.98830	6.8
65.00321	18.7
71.01382	5.2
71.29504	2.6
75.27665	2.3
78.91863	9.0
80.17722	2.5
80.46734	2.7
82.95832	2.4
83.01371	10.3
98.42622	2.5
101.02408	3.1
107.01390	26.3
109.02951	5.1
114.41517	2.5
123.04517	4.8
125.02416	12.5
133.02951	5.9
135.04515	7.1
150.03233	28.1
151.00372	100.0
151.04015	7.4
152.01228	15.4
175.04027	4.3
176.01222	4.1
177.05479	3.1
178.99927	15.3
189.02023	2.8
199.04054	3.7
217.01387	4.2
257.04431	3.3
285.00882	4.3
285.04047	81.5
286.04471	3.5
287.05881	2.9
300.27927	2.9
301.03531	5.2
339.27905	2.7
341.06705	5.4
367.08469	3.2
393.22171	2.8
488.09848	2.9
544.55292	2.7
577.12360	4.5
595.16766	68.1
595.25708	6.1
596.16827	10.8
631.21790	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	100.0
72.35313	12.1
78.15218	12.8
92.98914	15.4
190.14801	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39644	14.2
55.76440	14.0
60.15244	12.9
60.43536	13.3
61.98839	27.3
65.23759	15.0
68.99377	58.9
68.99789	100.0
71.56908	11.9
78.45161	14.1
95.48592	13.0
98.22631	22.2
103.34808	15.5
222.71513	14.1
235.49326	14.0
323.21613	16.4
325.40424	17.7
335.02945	15.4
407.75534	15.2
474.55283	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07876	2.1
51.87814	2.1
59.01381	3.3
61.98833	100.0
64.00603	2.5
68.63296	2.6
69.01373	26.9
71.47658	2.3
71.55710	2.5
79.96935	2.2
99.04539	3.6
99.92583	2.6
111.93695	2.4
112.98596	2.5
114.81668	2.4
116.92886	9.2
153.47887	2.5
173.81920	2.0
285.97800	2.6
471.93582	2.6
497.51849	2.4
510.86053	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68740	13.5
57.10382	13.5
57.20247	11.1
59.61496	15.8
61.98829	14.6
62.68370	11.6
69.06020	100.0
89.13899	12.5
94.44637	14.3
94.68984	14.3
99.04520	28.6
104.72260	12.6
116.92860	62.7
127.88297	13.4
201.19756	12.9
227.77328	14.1
498.52106	16.4
567.89563	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39553	0.6
58.36116	0.6
59.01387	7.4
60.98215	0.6
61.98829	6.6
68.99569	0.7
71.01382	1.6
71.05023	1.8
71.31967	0.8
73.00965	0.6
83.01385	0.7
83.05030	0.6
85.00486	1.1
86.52836	0.6
87.00873	1.2
88.98810	1.3
89.02412	1.0
99.04528	1.2
99.92604	1.6
101.02443	1.0
103.01504	3.7
116.92858	7.9
121.03060	0.6
125.02456	0.7
129.02034	0.6
147.06615	2.2
161.04543	0.6
162.18155	0.6
177.01935	0.7
183.04453	0.8
185.11829	7.7
197.11787	1.3
201.11339	3.6
209.11787	4.8
211.13385	2.8
215.03522	0.9
220.07324	0.9
226.02695	0.8
227.12851	0.9
235.09755	2.1
237.05531	1.6
242.02255	1.4
243.02892	1.3
244.03389	0.8
253.09018	1.4
256.03802	0.8
257.04596	1.4
265.05005	1.5
269.04688	0.7
270.01590	0.9
271.02567	4.7
271.05222	0.9
279.06512	1.4
280.07455	0.8
282.05286	1.7
285.03973	0.9
286.01498	0.7
286.04932	2.2
293.04626	3.1
297.04358	0.8
297.07733	2.8
301.07071	2.4
305.08206	13.0
306.05402	0.7
306.08685	1.2
307.06140	2.4
308.06882	2.4
309.04105	0.7
309.07605	0.8
310.04700	0.9
310.08438	1.0
311.02255	0.9
311.05573	1.5
312.06253	1.0
313.03519	0.8
322.08429	0.9
323.09222	12.5
324.09729	1.0
325.07187	10.3
325.10696	0.9
326.07629	0.7
327.08466	1.4
335.05521	2.0
335.09241	2.3
340.05884	1.0
340.09549	2.8
341.06668	1.7
350.07993	1.6
353.06586	12.7
353.10309	1.3
354.07272	3.4
355.08133	4.7
356.08893	1.2
365.10281	2.8
367.08301	0.8
368.08942	4.8
369.09708	1.6
371.07651	1.0
379.00540	0.7
383.11411	4.8
386.10156	1.7
401.12411	100.0
402.12726	9.0
439.26624	1.2
483.16519	1.6
501.17661	18.8
502.18085	2.3
613.24658	0.7
631.36121	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50249	1.3
57.00769	1.2
58.06343	1.2
59.01382	54.2
61.98830	4.5
67.36934	1.2
71.28586	1.4
78.95914	5.1
79.95749	3.8
96.96019	100.0
96.96915	6.7
97.95939	1.7
98.94943	1.6
98.95597	4.6
103.01507	39.4
126.23261	1.3
153.76627	1.5
174.30095	1.3
242.04065	1.5
408.67392	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.2
59.01384	21.4
61.56922	0.5
61.98813	0.8
69.03456	0.7
71.01385	12.0
72.99320	1.1
73.02940	1.6
83.01408	0.7
83.05027	0.9
85.02958	1.7
88.98828	0.6
89.02453	20.8
95.05061	1.0
96.96019	1.8
97.02986	0.8
98.21822	1.1
98.22514	1.4
99.00893	0.7
99.04565	0.6
101.02440	6.1
113.02444	1.8
113.06095	18.1
119.03503	1.4
125.02466	5.7
129.01924	0.5
131.03510	11.2
143.03580	0.9
147.08165	1.4
149.04575	7.3
163.07584	0.6
173.09709	1.3
173.13351	0.6
179.10829	2.8
185.11819	0.6
191.05640	6.7
201.12865	11.8
209.11824	0.7
233.06656	0.6
233.15523	3.6
245.11717	1.0
277.14462	100.0
278.14786	6.2
293.08832	5.8
294.09311	0.8
366.82419	0.5
484.39850	0.8
571.23987	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.9
61.98824	5.7
63.36937	1.9
69.03462	3.7
69.22346	11.0
69.22755	5.4
79.05553	2.4
81.03458	4.2
83.05038	5.4
84.95100	2.2
85.00444	5.8
85.06578	4.8
86.87739	2.1
95.05006	2.3
99.04503	6.4
107.05026	3.4
109.06580	2.3
111.04539	12.8
111.08174	15.2
114.16795	2.4
114.48138	2.5
116.92892	4.0
123.04534	11.3
123.08128	3.5
129.05595	100.0
130.05934	3.0
147.08192	3.2
149.09676	3.9
151.11342	2.4
155.07133	15.0
171.08105	3.8
175.11249	2.7
177.09164	2.5
189.09218	9.1
189.46696	2.1
191.10785	5.4
199.07758	2.9
213.09143	3.0
217.12334	8.7
219.13969	3.0
223.07751	3.1
227.06998	2.2
229.12296	5.2
235.09698	2.7
237.09242	3.4
251.10722	2.6
253.12334	3.4
255.10274	10.1
259.21436	2.6
261.11188	2.4
267.10483	2.5
269.12280	2.0
271.13367	3.3
277.12369	4.0
279.12445	11.1
281.13855	10.5
285.11365	6.7
288.06677	2.2
295.13312	13.5
313.14484	7.0
321.14896	3.1
337.18140	2.9
339.15973	2.7
357.13956	2.4
389.21237	4.3
407.22537	4.9
427.21521	4.0
433.20294	4.6
451.21265	50.0
452.21432	8.1
453.51590	2.1
469.22372	22.5
495.20544	17.7
513.21277	53.5
514.21680	8.1
531.22089	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55689	1.1
59.01383	100.0
61.98829	7.1
72.99352	1.2
85.00430	2.4
85.28545	1.0
87.00873	1.7
99.09747	1.3
99.92599	2.3
103.01502	78.9
106.83830	1.2
116.23417	1.2
116.92865	12.1
120.82185	1.3
121.03026	1.1
125.50843	1.1
127.30772	1.1
141.86780	1.5
194.05928	1.1
238.17558	1.2
311.76434	1.2
322.76926	1.2
342.10989	1.3
349.64056	1.3
357.13449	3.5
371.14978	2.7
522.25330	1.3
534.20978	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17501	2.9
59.01385	100.0
59.07193	2.1
61.98835	36.4
71.01371	13.0
71.05013	4.5
71.31895	3.9
72.99306	2.6
75.00867	7.4
85.00445	5.5
85.02956	6.0
87.00889	7.5
88.98837	6.2
89.02464	4.9
96.96031	4.4
99.04530	6.9
101.02448	6.8
103.00422	5.0
103.01505	54.0
105.83818	2.5
113.02461	5.8
113.06068	2.6
115.92094	3.5
116.92863	22.0
147.06660	9.4
155.50497	2.5
160.68398	2.6
169.74202	2.4
185.11829	14.3
192.38055	2.2
198.77803	2.6
201.11365	22.3
204.65080	2.5
209.11879	12.7
211.13438	23.8
225.07491	2.8
235.08066	3.3
253.09258	5.1
325.07053	2.9
352.48907	2.4
355.17722	2.3
367.20941	3.0
383.11334	12.2
388.48175	3.0
401.12183	3.1
409.15933	4.2
469.22574	5.6
483.16574	8.1
631.34137	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3856
Annotation	Rubuside F
Peak:m/z	Relative Intensity
51.80568	0.2
58.00583	0.4
59.01379	1.7
60.08504	0.3
61.98810	0.5
69.14897	1.4
69.15306	0.6
71.01350	1.0
85.02934	0.6
89.02441	0.5
95.01403	0.4
98.21799	0.5
111.63393	0.4
113.02417	1.3
129.76868	0.3
152.99615	0.4
240.81871	0.3
404.68430	0.3
407.33084	1.1
425.34283	44.0
426.34637	7.3
451.32104	7.3
452.32498	1.1
469.33255	100.0
470.33609	14.7
483.34586	1.6
511.34311	3.4
512.34613	0.4
631.38623	7.4
632.38989	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09620	0.9
55.38433	0.6
59.01381	1.5
71.01411	1.6
72.83134	0.6
77.77034	0.7
78.95900	0.7
85.02950	1.1
89.02414	0.7
98.21739	1.7
113.02424	1.0
160.84178	1.3
162.83961	4.3
179.91800	0.8
223.91005	0.9
276.89441	0.8
425.34290	33.5
426.34583	4.7
451.31940	6.7
452.32489	0.9
469.33264	100.0
470.33542	15.3
482.25226	0.9
483.34518	1.5
510.61859	0.8
511.34210	3.8
631.17670	0.9
631.38434	8.7
632.16998	2.3
632.38904	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3853
Annotation	Rubuside E
Peak:m/z	Relative Intensity
53.66575	2.6
54.36592	2.8
57.48334	2.7
59.01373	5.9
59.31504	2.9
61.98838	6.2
71.29682	3.4
113.02473	4.2
200.50569	3.1
288.60046	3.3
425.34277	53.2
426.34683	9.3
451.32190	8.6
454.57013	3.4
469.33206	100.0
470.33713	12.5
483.35098	3.8
511.34052	7.1
517.30475	3.7
631.38220	18.9
632.39008	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3854
Annotation	Rubuside E
Peak:m/z	Relative Intensity
59.01392	1.6
61.98843	3.2
71.29626	1.6
78.95916	2.9
113.02484	2.9
152.99539	1.9
425.34073	2.4
443.26193	1.4
451.32141	11.3
452.32626	1.8
469.33261	100.0
470.33630	15.6
481.73883	1.4
483.34863	1.9
511.34177	1.8
550.30933	1.5
631.38312	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70227	6.8
57.03443	15.2
59.01382	100.0
61.98825	34.2
66.21725	6.3
70.94655	15.4
71.01376	15.3
72.99302	7.3
75.00893	6.6
85.02946	8.7
88.98815	11.7
89.02503	9.6
93.03536	7.3
97.02973	11.3
99.04520	13.5
101.02463	13.6
109.03023	13.4
115.32148	7.0
120.01256	15.4
123.04550	29.0
125.02441	80.8
137.02437	15.0
137.06087	13.0
149.02454	8.0
151.04063	30.0
161.02490	18.3
165.01889	12.3
171.10294	11.5
209.11823	24.9
227.03502	7.9
245.08212	9.1
256.03598	8.8
266.02319	8.0
281.04630	7.6
282.05219	11.0
285.03787	8.7
289.07208	26.8
339.08737	28.9
529.20752	14.9
547.21875	26.2
548.22552	7.3
589.22699	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28984	11.8
59.01378	100.0
60.99302	15.9
61.98815	30.4
63.45541	9.5
69.53217	46.3
72.99304	24.1
82.95409	9.4
87.00851	12.3
88.98793	77.2
96.96005	11.7
97.02968	34.7
98.22491	15.6
116.92856	43.5
125.29900	9.6
227.09186	17.0
338.79431	12.7
529.24249	11.7
547.25360	73.4
589.26166	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14691	3.8
59.01383	100.0
61.98843	36.6
67.93194	4.0
69.44465	4.8
71.01398	7.8
78.95899	6.4
79.00095	4.0
85.02997	5.5
88.98814	7.8
89.02492	4.9
96.99336	10.5
97.02945	8.3
103.01511	7.0
122.20462	5.0
135.67819	4.3
140.97810	4.6
141.01723	12.9
271.31937	5.4
296.55396	4.7
302.85791	5.0
318.73862	4.5
335.94330	4.3
358.13785	6.3
378.84540	4.2
547.25696	8.1
573.23639	6.2
589.26575	5.4
612.91376	5.3
632.17627	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	2.9
71.28065	0.5
82.95402	0.8
96.25799	0.4
96.96021	1.3
120.01260	100.0
121.01611	0.6
125.02465	1.5
139.07661	1.6
151.00360	0.4
182.65680	0.4
192.75604	0.4
289.07123	0.5
300.02887	0.8
301.03522	1.0
302.04016	0.7
467.28238	0.5
511.26984	1.7
545.25232	0.5
565.12439	0.4
610.06311	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.97383	0.2
61.98837	4.0
71.32061	0.3
82.46230	0.2
83.69501	0.2
120.01263	100.0
121.01691	0.9
125.02442	0.3
136.93219	0.2
174.37241	0.2
197.82539	0.2
207.50021	0.3
238.09435	0.2
285.03946	0.4
286.04532	0.2
343.37000	0.2
467.27811	0.6
511.27185	1.4
512.27637	0.3
545.25922	0.4
632.29010	2.5
633.29877	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.3
60.99300	1.5
61.98827	1.9
67.14462	0.4
68.89613	0.5
69.12266	4.2
71.01386	1.9
72.11340	0.5
72.99302	0.8
73.02941	0.6
73.86672	0.5
75.00875	1.5
82.95415	1.2
84.65936	0.4
85.00442	0.7
85.02975	0.8
85.92602	0.4
87.00861	0.7
88.98811	9.4
89.02448	1.4
93.03509	0.5
96.96000	0.7
97.03024	0.7
97.22874	0.4
98.22027	2.1
99.04549	1.0
99.92593	11.3
100.92630	0.7
101.02452	1.2
101.60676	0.4
103.01495	0.4
109.02986	0.4
112.40780	0.4
113.43991	0.4
115.92133	0.4
116.92876	100.0
117.01984	1.1
117.92883	4.6
119.03535	0.4
125.02518	0.5
125.09743	1.1
135.04556	0.4
139.04015	0.5
141.42970	0.5
147.06836	0.4
151.60727	0.4
160.06487	0.5
171.10274	2.9
176.43837	0.4
185.11659	0.5
186.12233	0.5
191.05681	1.9
201.11386	0.8
207.10251	0.5
209.11845	1.3
223.78464	0.5
253.08916	0.5
353.14285	0.4
389.16022	1.1
551.21124	0.7
577.36066	0.5
610.02423	0.5
633.34698	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65112	0.7
58.62035	0.7
59.01375	1.9
61.98830	2.0
65.03976	1.4
66.49251	0.7
69.09990	8.8
85.14008	0.9
91.30930	0.8
93.03465	77.2
94.03828	1.9
99.04495	1.8
103.01502	1.3
107.63223	0.7
116.10502	0.9
121.02951	1.7
121.11466	0.8
135.04536	3.3
137.02458	100.0
138.02823	2.9
138.20093	0.7
162.83917	1.3
191.07181	1.2
201.19533	0.7
286.31583	0.8
467.80988	0.9
573.22913	1.2
605.40210	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47134	0.9
59.01369	4.3
61.98818	2.4
71.34223	0.9
83.05034	41.8
87.86234	1.0
99.04535	6.0
103.01504	1.8
103.40778	0.9
115.04002	1.1
121.02973	52.0
122.03289	0.9
124.25899	1.0
127.04025	59.3
128.04381	1.5
149.06061	3.5
160.84239	1.5
162.83948	1.3
209.06268	1.2
211.77879	1.0
225.05647	1.7
232.94568	1.0
237.05579	2.2
239.07193	2.0
241.05045	1.4
253.05115	1.9
254.05823	1.6
255.06461	1.4
264.04282	5.4
265.05045	9.8
266.05597	1.5
267.06671	2.1
269.04593	1.0
269.08176	1.2
278.05942	1.2
279.06662	4.0
280.07260	2.0
281.04611	1.4
281.08176	1.4
282.05408	2.6
283.06079	1.4
292.04041	1.2
293.04550	8.7
294.05258	1.3
294.09070	1.8
295.06140	2.9
296.06631	1.9
297.07736	5.5
298.05045	1.0
307.06125	4.1
308.06900	2.6
309.07730	3.7
310.04788	2.5
311.05701	2.0
323.05630	2.1
325.07175	14.4
326.07663	1.9
335.05429	1.5
336.06433	1.8
337.07120	3.7
338.08011	1.6
339.08789	2.8
351.04993	2.9
351.08798	1.2
353.06702	15.8
354.06931	1.8
367.08249	1.7
368.09119	5.6
381.09827	5.1
383.11374	100.0
384.11749	9.9
505.15118	23.4
506.15424	3.1
658.15240	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94888	22.2
61.98827	31.6
68.95605	19.0
69.58516	100.0
107.06909	19.4
176.64386	23.3
201.90500	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.8
60.99305	15.5
61.98826	6.9
69.09267	13.1
71.51849	1.2
72.99305	2.1
87.00894	2.2
88.00381	1.6
88.98814	100.0
89.02444	7.7
116.65741	1.3
126.77798	1.3
305.06418	1.7
513.28143	1.7
543.48358	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
70.08349	2.2
83.01389	1.2
93.03418	0.8
97.02940	1.9
109.02947	7.7
121.02975	1.5
122.03734	5.5
123.04543	4.5
125.02448	4.0
137.02458	3.8
137.06044	1.0
139.03946	1.3
149.02521	0.9
151.04034	2.0
164.01093	0.7
165.01868	1.1
175.03983	1.6
175.07703	1.2
181.08716	100.0
182.09053	4.1
187.04060	1.3
202.06310	0.8
203.07199	2.9
205.05075	2.2
221.08180	0.9
245.08154	4.0
257.49997	0.8
289.07214	15.5
290.07571	1.4
295.71121	1.0
343.13962	14.7
344.14215	1.4
496.02759	0.8
499.14603	0.9
562.17163	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01713	1.0
61.98839	2.5
63.00742	0.5
69.92130	1.0
69.92477	1.7
72.99301	4.4
78.35832	0.5
82.95437	0.8
84.95139	1.3
85.00455	1.8
86.17366	0.5
87.00906	1.0
88.98858	0.6
95.05038	0.7
96.95998	0.8
99.04559	0.9
109.03007	1.0
109.06631	0.7
121.88141	0.6
123.04507	0.7
123.86043	0.5
125.02455	0.7
128.31764	0.5
137.02470	0.7
137.06073	4.4
144.72408	0.5
151.04050	0.6
158.03746	0.9
161.04623	2.2
163.07709	0.7
177.42567	0.6
295.13348	0.6
371.11697	1.0
389.12442	3.8
390.13062	0.7
451.21249	0.7
495.20462	1.3
513.21490	4.6
514.22235	0.8
522.14459	0.7
531.22382	17.8
532.22992	2.5
559.21924	0.6
573.23602	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	2.1
59.01375	2.5
60.99318	4.3
61.52671	2.2
61.98827	2.8
70.62409	4.1
70.62749	2.2
71.01387	2.4
72.99308	38.2
80.55646	1.7
88.98815	22.1
89.02448	5.4
96.96024	2.5
99.92584	2.2
110.68213	1.8
116.92894	2.9
125.02443	3.5
137.02451	2.6
167.76871	1.8
217.87260	1.9
220.03889	2.3
279.16116	3.9
327.08743	78.4
328.09009	9.6
331.11658	3.9
341.10419	4.2
342.11090	53.6
343.11530	6.4
357.13425	100.0
358.13849	8.2
359.11490	4.0
374.13736	24.8
375.14249	3.3
389.16080	82.7
390.16309	6.8
423.82828	2.2
471.20270	72.0
472.20581	9.0
492.44250	2.0
551.21478	10.9
633.24786	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37588	1.9
59.01385	100.0
61.98837	4.9
63.22798	1.9
64.90488	1.6
68.40527	2.0
69.61181	8.6
69.61589	3.9
75.00886	5.2
87.85798	2.2
96.96036	2.8
97.73440	1.9
100.85624	1.8
103.00414	4.5
103.01508	74.8
103.04031	2.6
116.92860	2.1
124.33508	1.9
135.03018	5.4
274.26169	2.2
375.29034	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
55.70627	0.6
57.03454	4.6
59.01382	10.8
61.98838	7.9
69.03439	1.3
71.01389	6.6
71.05039	0.9
72.99302	1.1
80.02687	1.1
83.05029	3.9
85.00436	1.2
85.02977	1.3
86.12891	0.7
87.00888	1.1
88.98812	1.6
89.02444	4.2
95.05060	2.2
97.06601	12.6
98.22543	2.0
99.04549	2.3
101.02444	5.3
103.01495	1.0
112.98582	1.0
113.02473	3.0
116.92896	1.1
119.03535	1.1
120.99684	1.6
123.08179	8.2
125.02480	2.0
125.09737	100.0
126.10046	4.5
143.10817	1.6
145.05118	1.1
161.04565	1.8
163.11327	3.4
165.12895	1.4
167.03574	0.7
169.08699	2.7
171.10280	4.6
176.51645	0.7
179.05643	0.8
187.09767	58.1
188.10060	2.1
201.11226	1.0
203.52318	0.8
209.11845	49.5
210.12221	3.2
225.11400	1.5
227.12973	5.6
229.37148	0.9
235.08194	1.6
253.09311	3.3
281.04556	0.9
296.06915	1.7
341.06769	1.1
353.10422	1.5
371.11240	4.1
405.17542	6.4
406.17773	0.8
423.18753	18.4
424.19315	1.7
435.24435	0.9
453.15741	1.1
483.20358	3.0
513.24744	1.0
531.27399	0.8
533.16724	3.2
615.30292	6.6
633.31287	83.5
634.31580	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12025	14.2
54.42299	13.4
59.01372	28.6
61.98828	100.0
62.42811	15.2
72.10497	15.7
72.99316	26.5
75.00895	24.8
85.00446	22.1
88.98840	16.7
89.83108	16.2
90.88488	16.4
98.64341	16.2
109.22841	16.1
225.83267	19.1
301.39578	17.7
333.63174	15.6
559.21045	23.6
634.28717	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53063	0.5
57.46839	0.3
59.01375	1.0
61.98814	1.0
69.03456	0.8
70.35873	0.7
70.36265	0.7
73.02583	0.4
73.02956	4.9
79.05552	0.5
79.31015	0.3
83.05025	1.3
88.98857	0.5
92.07529	0.4
96.95983	0.6
109.10210	0.7
120.01263	100.0
121.01586	1.2
125.02435	0.4
129.05597	4.6
133.06587	0.4
135.08200	0.7
137.06166	0.4
149.09769	0.4
151.07631	0.7
151.11247	0.4
157.08667	0.4
175.15068	0.6
187.11281	0.6
202.87798	0.3
203.14337	0.5
210.06714	0.4
215.14354	0.4
219.13925	1.6
220.14278	0.4
230.19048	0.4
232.14740	0.9
305.19196	0.7
308.19278	0.3
317.21201	0.4
341.10339	0.6
355.22824	0.9
361.20245	3.7
362.20602	0.5
373.23862	0.4
405.28043	0.4
423.29163	0.8
425.26764	0.9
433.27710	1.0
435.25311	0.8
449.94446	0.5
451.28397	2.2
453.26059	0.5
469.29697	4.4
470.30136	0.8
513.28601	80.8
514.28973	13.1
634.30341	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53045	0.7
55.12809	0.5
61.98837	0.6
69.03425	0.7
69.31842	4.3
73.02947	1.3
77.76696	0.5
83.05054	1.0
97.02959	0.7
98.21822	1.1
111.08142	0.7
120.01262	100.0
121.01577	1.2
125.43083	0.6
166.54256	0.6
179.14420	5.9
209.13445	0.8
223.13319	0.8
230.57506	0.6
305.24176	0.6
361.20282	1.2
371.27859	0.7
389.28458	0.8
433.27762	1.2
451.28687	1.3
469.29630	14.2
470.30032	2.4
513.28613	39.8
514.28912	7.2
634.30542	8.6
635.30963	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.1
61.98824	0.7
63.02404	1.0
65.00309	0.5
69.04713	3.8
69.05110	0.7
74.16057	0.5
74.42738	0.4
75.84023	0.4
83.01378	0.7
85.02921	0.5
86.61544	0.4
91.01871	0.6
93.03455	2.0
96.96002	0.6
98.22569	0.7
107.01400	2.4
109.02950	1.0
117.03445	0.6
121.06563	0.5
132.02217	1.2
135.00917	1.9
141.07123	0.5
143.05051	0.8
151.00392	3.4
153.01895	0.5
157.06610	0.7
159.04483	1.0
163.00383	3.0
164.00993	0.6
165.01958	0.6
167.05037	0.6
169.06584	1.0
171.04492	0.6
178.99724	0.5
183.04478	1.6
185.06084	3.0
187.04025	3.6
189.05640	1.0
190.99904	0.5
195.04527	1.2
196.05264	0.7
197.06099	1.3
199.03958	1.1
201.05577	0.8
211.03951	2.2
213.05515	2.3
215.03540	0.5
223.04022	0.6
224.69844	0.4
227.03514	34.9
228.03758	2.9
229.05063	12.7
230.05394	0.8
231.95372	0.4
239.03413	2.5
240.04225	1.0
241.05066	1.6
255.02998	60.8
256.03528	8.4
257.04538	7.4
267.03061	1.1
279.39261	0.4
283.02725	0.6
284.03271	62.0
285.04041	100.0
286.04382	7.5
307.92056	0.6
324.98581	0.5
327.05066	0.9
363.14645	0.5
395.70181	0.4
395.75824	0.6
513.21149	1.0
531.22650	0.8
575.13818	1.2
575.21350	6.2
576.21704	1.0
576.53271	0.5
593.15149	6.6
594.15857	1.3
635.16211	65.5
636.16559	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
61.98831	7.5
65.00312	0.6
67.23834	0.5
68.99551	0.9
69.02352	3.5
78.95879	0.5
83.01355	0.6
93.03439	0.7
96.96029	0.5
96.96992	0.5
98.22523	1.0
103.57380	0.4
107.01414	1.9
117.03481	0.5
121.02943	0.6
125.02426	1.0
132.02184	1.1
135.00862	1.4
143.04968	0.4
151.00374	3.6
153.01982	0.6
161.06116	0.5
163.00366	1.4
164.01152	0.7
165.01949	0.7
167.05054	0.6
169.06551	0.6
177.01950	0.5
183.04478	1.3
185.06081	0.9
187.03981	1.7
189.05492	0.6
197.06047	0.7
199.04012	0.6
200.04802	0.6
211.03893	2.1
213.05595	0.9
227.03502	44.2
228.03871	2.9
229.05092	5.8
239.03503	1.9
240.04233	0.5
241.04950	0.5
255.02994	79.9
256.03488	9.6
257.04584	3.3
259.91266	0.4
267.02823	0.5
283.02362	0.6
284.03268	100.0
285.03973	38.0
286.04428	2.5
327.05164	1.3
447.09512	1.0
451.06873	0.5
557.12994	1.1
575.13940	5.3
576.13501	0.6
593.15161	10.8
594.15686	1.2
620.10071	0.4
635.16205	74.9
636.16571	11.5
648.92303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94755	0.5
55.67511	0.5
59.01381	1.2
61.98833	1.4
65.00318	1.2
68.99566	1.0
93.03432	0.6
98.22556	1.0
106.68876	0.5
107.01375	2.2
112.98566	1.2
125.02406	0.8
132.02159	1.1
135.00859	1.4
151.00380	4.0
159.04480	0.9
163.00337	2.0
164.01239	0.5
165.01932	0.5
183.04504	1.7
185.06059	1.6
187.03947	2.2
190.99898	0.9
199.04018	1.2
209.00935	0.5
211.03963	2.5
213.01738	0.5
213.05501	1.1
227.03511	44.9
228.03841	3.2
229.05051	6.9
239.03413	1.3
240.04279	0.7
241.05002	1.3
255.02991	85.0
256.03528	9.9
257.04611	3.8
283.02380	1.0
284.03268	100.0
285.03992	42.1
286.04330	2.9
327.05115	1.7
552.65173	0.6
575.13721	2.9
593.15247	10.1
594.15149	1.2
635.16193	81.5
636.16595	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17205	0.3
58.20294	0.4
59.01371	1.1
68.98177	1.3
68.98595	1.6
71.05028	1.6
93.03472	0.6
96.95972	0.7
101.73498	0.3
110.62347	0.3
115.04017	0.5
121.02968	100.0
122.03293	3.1
250.57979	0.3
323.09302	0.4
325.07062	0.5
335.05353	0.5
350.08090	0.6
353.06702	1.1
363.90463	0.4
365.10327	1.2
368.08929	0.5
383.11368	2.6
505.15228	0.7
631.49390	0.4
633.54169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	1.3
69.52853	3.2
69.53262	1.9
71.05025	1.3
121.02967	100.0
122.03291	3.3
353.06625	1.5
370.10590	1.2
383.11359	6.9
505.14542	1.4
523.30200	4.0
575.33667	0.9
658.01221	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80406	0.4
61.98810	0.8
70.07343	2.0
96.96001	0.8
98.21878	0.7
99.04547	3.9
109.70340	0.5
121.02970	100.0
122.03295	3.3
154.85765	0.6
192.09813	0.6
280.03519	0.7
309.04010	0.9
351.05402	0.6
381.09933	1.4
399.10760	1.1
413.12335	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08187	1.8
53.09981	2.0
57.03448	9.2
59.01386	3.1
61.09242	2.1
61.98832	23.2
65.14410	1.9
71.05023	2.5
72.08514	1.9
72.99328	5.7
73.02966	10.4
75.00874	5.2
76.21861	2.0
78.94971	1.9
87.00867	3.0
87.75970	2.1
97.02967	2.8
98.22530	5.1
99.04546	7.5
101.02411	2.4
101.22843	1.9
107.05028	3.7
109.06606	8.6
111.08153	2.6
113.02453	2.4
113.06063	2.1
121.06612	5.4
123.04544	5.0
125.06076	6.6
127.07710	5.3
135.04456	3.1
137.06094	13.0
139.07655	4.3
147.08145	2.7
149.06067	7.1
149.09746	2.4
151.07712	6.6
153.05617	2.8
159.08179	2.9
161.09761	4.6
165.05579	4.3
167.07111	2.6
173.09738	4.7
174.06995	3.2
175.07692	4.0
175.11281	2.4
177.05579	23.6
177.09216	4.0
179.10829	3.5
187.11354	3.0
189.09235	7.6
191.07143	5.8
191.10768	2.5
195.06596	5.3
203.07042	3.3
203.10774	2.9
205.08647	4.6
207.10391	5.8
215.10760	4.8
217.08672	17.0
221.08180	2.8
223.09651	2.2
229.12331	2.6
231.10255	4.2
235.09772	4.3
271.13599	3.9
296.09048	4.5
297.09775	4.1
335.16650	3.0
351.15802	3.9
366.83792	2.2
367.18878	3.5
380.27335	2.5
393.17267	10.6
395.14792	3.6
397.76822	2.3
407.22806	2.8
433.20230	4.0
451.21109	5.9
469.22467	8.4
471.19968	3.1
487.23453	4.0
495.20270	19.9
497.18433	14.1
498.19635	2.7
513.21313	43.6
514.21661	5.5
515.19263	63.0
516.19482	8.1
531.22345	68.1
532.22650	11.2
533.20142	15.8
547.93286	2.4
557.20111	13.4
575.21375	100.0
576.21948	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07616	1.0
57.03450	3.8
57.20607	1.5
59.01374	5.1
59.53720	1.3
59.99486	1.0
69.18481	10.2
71.05029	2.2
72.50190	1.2
72.50614	1.4
72.99306	1.7
73.02948	7.1
83.15739	1.3
85.02980	2.1
87.00888	1.4
89.24924	1.3
93.03490	2.3
95.05025	2.9
96.96033	1.8
97.02956	1.6
99.04517	1.7
102.10616	1.4
107.05051	3.2
109.02979	1.7
109.06570	1.9
121.03029	1.9
121.06605	2.6
123.04520	1.9
129.07063	1.3
133.02954	1.2
133.06589	2.9
137.06149	2.1
142.48515	1.3
145.03996	1.2
147.08234	1.2
149.06076	3.0
151.00481	1.4
151.07571	1.3
159.08144	2.9
161.09695	3.3
163.00377	1.3
177.09216	2.1
179.10759	3.4
185.06082	3.2
187.04068	1.5
187.07715	2.0
189.09210	1.9
195.04497	1.6
199.07686	1.4
200.97795	1.3
205.08752	3.1
213.05681	1.9
215.07152	1.9
227.03537	7.7
229.05060	2.3
231.10294	1.5
243.10352	1.4
255.03038	15.6
256.03622	1.6
257.04706	2.3
279.14154	2.2
284.03287	15.0
285.04028	25.9
286.04538	1.8
289.10880	4.0
349.18179	3.5
353.14349	1.5
363.14331	4.5
367.19162	2.6
375.15997	3.8
381.13300	2.2
393.17007	4.3
399.14230	2.3
411.18146	2.9
425.23431	1.3
433.20285	2.0
437.15869	2.4
439.17401	1.3
444.14462	1.9
455.16885	9.6
459.55502	1.3
473.18179	4.7
481.30237	1.7
487.23575	5.0
495.20566	4.5
513.21411	17.0
514.21906	2.5
531.22107	9.4
532.22638	2.7
557.20239	11.3
575.21381	100.0
576.21759	17.3
635.16089	16.5
636.16327	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01713	1.2
61.98841	1.1
65.76358	0.8
67.11951	0.9
71.28687	1.6
90.89948	0.9
103.00401	2.0
103.01502	79.4
120.56236	0.9
123.48524	1.0
365.89349	1.0
426.60825	1.0
488.45581	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72713	1.0
59.01383	100.0
61.98827	6.0
68.98024	9.9
74.26508	1.1
76.91962	1.3
95.68543	1.1
97.03912	1.1
107.46660	1.0
220.09439	1.1
289.11810	1.2
358.94678	1.1
496.20514	1.1
533.23901	1.9
640.93982	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78663	2.3
59.01383	100.0
60.70047	2.8
69.03464	6.4
88.57841	2.4
96.99297	4.6
97.02966	25.0
99.04591	2.9
115.04002	4.4
116.92864	5.4
121.02974	10.4
141.01711	71.0
143.10545	2.4
158.89267	3.9
158.93901	3.2
161.16608	2.6
171.20370	2.6
229.62282	2.6
239.04117	17.6
294.49969	2.6
512.57104	2.7
613.73883	2.8
635.27344	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35784	0.9
57.03444	1.7
59.01366	5.2
61.98841	11.7
65.38911	0.8
67.87930	0.9
69.21906	3.1
69.22333	5.4
71.01391	2.5
72.84963	0.8
73.02963	1.6
85.02973	1.0
87.00894	1.0
88.98812	3.9
89.02473	1.4
96.96038	1.7
97.02977	1.1
101.02471	1.0
103.01545	1.9
120.99669	100.0
125.02464	1.6
125.09779	1.4
129.05635	1.2
136.05319	5.2
149.06076	1.8
164.08430	1.0
165.09215	1.7
179.14389	1.3
207.10208	1.6
209.11871	2.2
248.46277	1.1
276.17258	1.3
291.19672	1.3
299.19910	0.9
332.54031	1.3
388.98257	0.9
437.25180	1.2
469.29651	3.9
473.29105	3.4
476.81522	1.0
503.06635	1.0
513.28668	6.7
635.29706	10.9
636.29163	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.3
59.01374	14.8
61.98833	29.9
69.03439	1.9
69.38321	2.8
69.38741	5.5
71.01380	10.7
72.72904	1.1
72.99308	2.0
73.02937	3.2
73.28075	1.1
73.93409	1.1
74.91168	1.2
75.00836	1.6
80.02652	1.3
81.03447	2.3
83.01370	1.6
83.05010	4.1
85.00433	1.2
85.02953	2.9
87.00867	4.4
88.98799	2.3
89.02483	5.7
90.36844	1.2
95.05013	1.8
97.02954	2.0
97.06581	1.5
101.02462	5.9
101.03068	1.1
107.05025	1.4
108.38076	1.0
109.06605	10.2
113.02445	5.8
114.56314	1.2
121.06618	1.6
123.04526	1.3
123.08208	1.4
125.02398	2.2
125.09711	5.5
135.08142	1.5
137.02422	1.3
145.10173	1.4
149.09708	1.4
161.04608	1.4
163.11316	7.4
165.12851	1.7
173.06013	2.3
180.77542	1.1
191.10757	2.6
207.10274	11.3
209.11855	32.7
210.12265	2.1
227.09261	1.9
229.12227	2.8
235.08197	3.8
247.13434	4.8
250.62059	1.2
289.14560	1.7
301.14502	1.7
324.97888	1.3
337.21735	1.8
355.22858	5.2
373.23907	1.3
381.20795	6.5
399.21765	31.5
400.22061	4.0
417.22858	23.9
418.23010	2.8
473.25232	2.8
547.25214	4.4
589.26495	2.1
635.30518	100.0
636.31018	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30049	2.7
78.95911	86.6
80.26054	2.1
84.77196	2.1
85.23259	1.8
96.96969	6.6
97.01720	1.8
108.85494	2.0
125.09754	1.9
152.25743	2.2
152.99602	64.9
159.81259	1.8
171.00601	3.2
171.10280	100.0
172.10629	3.8
225.11296	7.7
227.03275	2.8
250.77016	1.9
253.21742	15.0
255.23303	47.1
256.23596	6.2
379.11633	2.0
391.22400	10.7
399.14288	59.8
400.14505	5.6
409.23547	5.6
431.54468	2.3
617.34412	5.0
635.25427	4.3
635.35327	28.3
636.25745	2.3
636.35547	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29499	0.2
59.01381	0.3
59.30032	0.1
61.98832	100.0
62.98523	0.2
71.52402	0.2
74.64896	0.2
75.00874	0.2
83.94671	0.2
88.98838	0.2
98.21674	0.3
111.02296	0.2
112.38737	0.2
182.33777	0.2
229.45084	0.2
331.34824	0.2
467.20920	0.3
469.25269	0.2
511.20010	0.4
529.20642	1.5
530.21411	0.4
552.80518	0.2
573.19525	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46352	1.6
53.81548	1.8
58.02978	10.3
59.01374	3.8
69.02091	16.6
70.02970	7.6
71.01389	3.6
72.00921	4.5
82.02985	4.1
89.02444	2.9
91.05547	5.5
93.03452	3.0
96.96022	2.9
100.04063	2.7
108.73105	1.9
115.00395	1.8
121.03019	3.0
147.04553	23.3
149.06104	2.0
164.07169	61.0
165.01993	2.3
165.05605	2.1
165.07492	2.8
191.05594	9.4
195.06619	3.8
196.06865	2.4
206.08228	100.0
207.08578	4.1
248.09340	6.2
249.99336	1.6
250.07121	2.1
255.96335	2.5
366.10593	2.1
414.12680	2.3
426.02728	2.2
517.24890	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
60.55489	0.3
60.99310	15.4
61.98833	0.5
69.19491	0.8
69.19891	2.1
71.01367	1.0
87.00900	0.6
88.98813	100.0
89.02471	1.3
89.99165	0.9
96.95942	0.4
98.21709	0.5
101.18657	0.3
115.00391	1.4
125.02486	0.6
137.02487	0.4
138.73355	0.3
173.04572	0.5
218.22978	0.4
233.97284	0.3
242.98506	0.4
288.38519	0.3
292.06747	0.3
300.02603	0.3
500.65744	0.3
501.50848	0.4
505.27008	0.4
637.13593	0.5
637.30750	0.6
644.94531	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.7
61.98829	1.9
70.08675	0.5
71.01398	0.6
71.32114	0.5
75.62706	0.4
88.98808	0.9
121.02949	3.2
177.12714	0.5
209.11841	5.3
211.04091	0.7
214.02858	0.8
227.03340	0.7
237.09210	0.6
241.01390	0.6
242.02197	1.0
243.02966	1.4
251.10643	0.5
252.04311	0.9
253.08870	1.0
258.01624	2.7
261.09180	0.6
267.03125	0.7
270.01755	1.3
271.02536	2.3
279.06863	0.6
279.10309	2.8
280.03729	1.0
281.04401	0.8
281.08179	1.9
283.02658	0.6
285.04105	2.4
286.01202	4.7
286.04733	1.2
289.08786	0.9
293.04666	0.5
295.06021	0.8
296.06958	0.8
297.07913	0.7
298.08420	1.1
301.03555	5.9
301.07184	1.4
307.06326	1.9
307.09760	32.8
308.03400	1.1
308.06903	0.7
308.10156	2.5
309.07697	9.8
310.08264	2.0
311.09335	1.4
312.06287	0.6
319.05991	0.6
322.08621	0.9
323.05566	1.8
323.09116	1.0
324.09909	3.2
325.07111	1.8
325.10632	0.5
326.07901	2.7
327.08643	0.7
337.07166	11.9
337.10922	7.6
338.07819	4.7
338.11456	1.1
339.08707	6.8
339.12381	1.0
340.09399	1.3
341.10226	4.4
351.08817	1.8
352.09464	3.3
353.10071	2.3
355.08255	2.1
367.11960	2.6
370.10461	2.6
385.12949	100.0
386.13278	10.0
401.23477	1.1
451.12372	0.5
507.16614	26.5
508.16794	4.2
637.32190	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13321	1.8
54.63964	1.9
59.01383	100.0
61.98828	10.9
103.01506	67.3
106.82592	2.3
108.90205	2.7
114.06698	1.7
178.92294	1.9
195.60176	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83677	1.2
51.69297	1.1
55.01873	1.4
57.03437	1.9
59.01381	16.5
60.99315	2.1
61.98835	15.2
63.88090	1.2
65.03977	2.1
65.06457	1.3
67.42493	1.5
69.03445	1.9
71.01392	15.7
72.99281	1.8
73.02924	2.8
74.56641	1.2
77.12203	1.3
85.02940	4.5
87.00887	4.5
88.98811	8.2
89.02450	5.7
95.05041	1.5
97.06607	2.3
101.02449	7.7
109.06595	2.6
113.02460	4.6
115.05562	2.9
115.92072	1.6
119.03523	1.9
121.02911	1.1
123.08157	1.2
125.02455	1.5
125.09749	9.7
135.08176	2.3
145.05070	2.5
161.04546	1.7
163.11328	2.1
171.10271	2.0
178.46803	1.4
185.11838	4.3
187.14883	4.8
189.12845	1.2
191.10751	1.8
201.12953	1.7
205.12447	1.7
209.11832	19.5
211.13345	2.1
213.12891	6.2
231.13869	11.6
235.08141	3.3
240.79782	1.3
249.14859	2.6
253.09264	2.7
293.19650	1.3
339.23105	3.0
357.24332	2.6
365.21439	1.9
373.24014	2.8
383.22321	15.9
391.24579	1.5
401.23370	17.1
419.24402	5.9
446.47998	1.3
457.19644	1.6
555.93835	1.5
609.32568	1.8
619.31293	100.0
620.31628	14.9
637.32355	21.4
638.32751	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90918	1.8
62.44489	1.7
76.92289	1.8
78.95909	100.0
86.46104	1.6
87.45702	1.5
92.44057	1.6
96.96965	7.5
112.36840	1.9
113.14706	1.6
134.98526	2.8
152.99605	52.2
201.11285	13.4
209.11824	20.7
214.04373	1.7
227.12859	2.8
229.27699	1.9
255.23282	74.7
256.23676	7.2
363.12085	4.6
381.13177	5.5
391.22440	14.5
409.23557	7.3
514.15015	1.7
593.34528	2.7
619.36255	23.5
620.36707	3.6
637.26782	2.1
637.37103	30.3
638.37244	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.6
59.01398	2.6
61.98837	100.0
71.01385	1.7
71.30729	0.9
71.31082	0.6
72.99307	0.6
82.95443	0.7
85.02959	0.8
88.98840	1.5
89.02452	1.3
89.42451	0.5
93.03485	0.8
94.55994	0.5
96.95998	0.5
99.44521	0.5
101.02483	0.7
107.01435	1.1
107.83458	0.5
109.02980	0.8
123.04492	0.6
125.02494	1.6
131.03560	0.5
135.00912	0.6
137.02493	0.5
143.05058	0.6
151.00394	2.2
151.04004	1.4
155.10783	1.4
161.02441	0.7
163.00420	1.0
165.05563	0.6
185.06166	1.3
187.04041	1.3
195.06532	0.6
197.35103	0.5
211.03990	0.8
213.05693	1.1
227.03525	11.2
228.04015	0.5
229.05084	3.3
240.04214	0.7
255.03014	14.1
256.03644	2.9
257.04593	2.0
270.05032	0.9
284.03311	16.3
285.04071	65.6
286.04437	4.5
289.07190	0.7
575.14069	22.0
575.23077	1.3
576.14319	3.5
579.26135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.4
61.98835	100.0
62.54224	0.3
63.02409	0.4
69.98618	0.4
70.96262	0.4
70.96603	0.4
71.01388	0.9
83.01392	0.4
85.02962	0.4
89.02460	1.0
90.11557	0.3
93.03482	0.7
101.02491	0.7
102.55275	0.3
107.01421	0.7
109.02912	0.3
112.47468	0.4
125.02451	0.4
127.60248	0.3
132.02161	0.4
135.00879	0.5
138.03140	0.3
143.05016	0.4
151.00381	0.9
163.00394	1.1
169.06566	0.5
183.04587	0.5
185.06056	0.7
187.04044	1.0
199.04034	0.8
211.03995	1.0
213.05618	0.8
217.64018	0.5
217.65833	0.3
227.03517	13.5
228.03865	1.0
229.05058	3.9
239.03485	0.8
240.04218	0.4
241.05009	0.6
255.03004	17.7
256.03534	2.3
257.04526	2.9
283.02679	0.4
284.03281	20.8
285.04062	60.3
286.04440	4.5
411.07062	0.4
456.47183	0.4
557.40326	0.4
575.14087	23.5
576.14661	3.0
639.37177	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68295	0.2
59.01389	0.4
61.98835	100.0
62.98554	0.2
69.72861	0.7
72.99325	1.1
88.98852	0.8
98.21826	0.3
98.22382	0.4
120.51456	0.2
125.02480	0.2
216.45326	0.2
227.03645	0.4
255.03123	0.6
271.92407	0.2
283.74255	0.2
284.03354	0.7
285.04044	2.5
285.06595	0.2
373.13190	0.3
380.70337	0.2
388.15640	0.2
403.17801	0.9
541.35040	0.3
549.23853	0.3
575.13745	1.0
575.21576	1.0
638.20819	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.77471	0.1
62.98531	0.2
68.99123	0.6
68.99538	0.4
83.74431	0.1
84.63821	0.1
98.21797	0.3
101.49211	0.1
142.47122	0.1
153.59695	0.1
172.75630	0.1
262.17526	0.1
337.41479	0.1
638.20923	3.4
639.21857	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12196	0.2
51.27616	0.2
52.78461	0.2
61.98837	100.0
66.47550	0.2
69.03216	2.0
71.29770	0.2
145.02852	0.3
159.81480	0.2
168.90950	0.2
172.52840	0.3
176.13303	0.3
327.53836	0.3
420.30618	0.2
554.21259	0.2
575.21320	1.8
591.53357	0.2
594.25500	0.2
638.21161	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49605	0.2
58.26440	0.2
59.01375	0.3
61.98834	100.0
68.37809	0.2
69.29587	1.3
72.35281	0.1
78.02115	0.2
88.98842	0.3
89.02489	0.2
99.89810	0.1
155.25327	0.2
190.48772	0.2
191.05713	0.4
194.34502	0.2
284.13885	0.2
285.03879	0.4
295.02173	0.2
318.24319	0.2
353.68954	0.2
384.66428	0.2
578.22699	0.3
638.19904	0.7
639.26691	0.2
662.00317	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86072	0.1
58.63854	0.1
61.98835	100.0
62.98537	0.2
62.99267	0.1
63.30381	0.1
65.83952	0.1
65.98835	0.1
69.30276	0.9
71.25645	0.1
79.51141	0.1
112.81925	0.1
125.02494	0.3
241.41953	0.1
267.95782	0.1
575.21387	0.3
638.20911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
70.14558	74.3
92.34901	80.4
105.38749	79.1
127.01396	73.0
151.31129	90.3
166.77940	85.5
168.42239	83.5
212.83247	84.2
218.96533	80.4
349.01498	85.6
426.70074	100.0
550.77704	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01754	31.9
58.62072	29.6
61.32121	33.4
61.98838	49.4
67.70308	31.5
80.25874	28.5
99.04536	100.0
182.97469	43.6
190.32314	33.8
211.79308	35.5
413.78159	36.9
540.13892	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.225
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	4.7
69.01382	20.0
98.22540	4.5
99.04518	3.4
121.02969	100.0
134.92973	2.4
157.94234	2.3
161.85704	5.5
162.83931	3.4
187.95261	2.0
204.01666	2.1
211.05846	2.1
471.86310	2.7
482.96167	2.4
600.19745	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25138	11.5
59.38397	10.9
61.98824	13.8
71.32397	18.6
82.95695	12.3
98.86015	11.7
99.04532	100.0
124.21431	14.5
329.95377	12.7
343.04361	11.6
360.39142	13.4
370.01923	12.9
375.11838	10.8
401.14056	12.9
420.23859	13.3
545.87158	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92110	0.1
55.63295	0.1
56.95051	0.2
59.01375	0.4
61.98835	100.0
62.73907	0.2
63.27059	0.2
69.00191	1.3
71.48067	0.1
96.96037	0.3
98.88425	0.2
150.67442	0.2
213.25035	0.2
229.43192	0.2
280.07870	0.2
319.01096	0.2
325.92755	0.2
409.84872	0.2
531.73798	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38176	2.8
53.35617	2.4
54.38092	3.0
61.98828	6.4
65.33105	2.5
69.24387	20.2
77.63527	2.5
82.12161	2.6
85.39051	2.9
98.92354	2.7
99.04530	100.0
100.04858	2.5
100.23531	2.5
122.58530	3.0
137.06071	7.5
146.76003	2.7
167.89499	2.8
209.11798	4.1
264.08856	3.2
317.33881	3.7
340.13052	6.8
389.21317	9.7
411.99033	2.8
433.20343	18.0
434.19806	3.8
459.18204	6.4
476.91336	2.9
477.19202	38.5
478.19443	7.1
495.20242	8.6
531.68146	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	25.8
65.31841	18.8
69.36658	40.4
69.37060	98.2
96.96021	23.1
98.22498	35.6
99.04541	100.0
116.92902	33.5
136.00639	22.2
139.43427	19.1
209.51675	19.7
249.31621	19.5
477.19159	68.7
480.41772	19.9
526.54431	23.6
576.03424	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96612	0.5
60.99311	16.9
61.98826	0.9
69.41073	2.9
88.98814	100.0
89.99164	0.7
98.22688	0.4
116.92887	1.7
125.12664	0.4
172.76753	0.4
191.05573	0.8
227.03500	2.0
255.02977	2.7
256.03494	0.6
269.04541	0.5
284.03265	5.7
285.04028	1.6
344.96323	0.5
500.62534	0.5
549.12482	8.8
550.13055	1.0
550.60455	0.5
592.49023	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70687	0.7
59.01358	1.1
59.10850	0.7
60.99312	1.6
61.98823	0.7
70.76273	1.6
70.76595	0.9
72.99305	1.3
77.64162	0.7
78.22552	0.7
80.60152	0.7
82.88399	0.8
83.01405	1.0
85.60626	0.8
88.98812	7.2
103.06360	0.8
107.01414	1.4
116.92822	1.1
121.02943	3.0
151.00410	7.5
163.00391	1.8
164.01216	1.1
178.99893	4.0
183.04472	1.1
187.04008	2.5
191.05591	2.0
199.04024	2.5
201.02007	0.9
203.03520	6.6
209.04645	2.7
214.02670	1.1
215.03481	4.4
215.05373	0.8
217.01425	0.9
227.03630	1.3
231.03075	4.3
242.02216	2.7
243.03008	13.1
244.03368	1.2
255.03006	2.7
257.04630	1.0
259.02502	15.2
270.01743	2.4
271.02499	25.4
272.02930	1.3
285.04065	2.8
286.01263	1.5
287.01974	32.9
288.02460	2.7
299.01962	8.1
300.02759	5.6
301.03613	2.0
314.04361	8.6
315.01553	52.3
315.05075	8.7
316.02194	27.9
317.02692	2.2
329.03275	0.9
330.03824	56.8
331.04575	35.7
332.05002	2.8
565.62103	0.9
584.83856	0.9
639.15692	100.0
640.15881	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.3
61.98839	2.3
64.78460	0.9
69.39286	6.1
69.56306	0.9
81.03635	1.1
86.62585	1.0
88.98808	2.0
89.02431	1.2
98.21830	1.7
99.89398	1.0
107.01385	1.5
108.77606	1.0
125.02461	1.4
143.05066	1.3
151.00398	5.8
152.01093	1.5
159.04517	2.0
161.02516	1.3
162.04823	1.1
163.00392	2.1
164.01151	1.8
175.03999	1.3
178.99902	3.9
187.04047	2.9
191.05647	4.0
199.03996	2.2
203.03549	5.0
213.38858	1.1
214.02734	2.2
215.03564	4.9
217.01431	1.8
231.03026	4.0
242.02234	2.8
242.61856	1.2
243.02971	6.2
259.02466	10.5
270.01624	3.4
271.02509	22.2
272.02829	2.3
287.01996	46.1
288.02484	2.8
298.01279	1.1
315.01495	95.4
316.02225	63.1
317.02725	2.9
330.03900	6.4
331.04550	16.5
379.80554	1.0
382.02600	0.9
419.39963	1.2
447.07306	1.5
624.13495	4.5
639.15692	100.0
640.16010	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67605	0.9
59.01372	2.0
61.98841	5.2
68.99565	2.2
69.56367	0.7
70.94131	1.4
71.01386	17.3
80.36800	0.7
85.02931	0.8
87.00880	12.9
87.04530	1.9
89.02445	2.3
96.96020	1.5
101.02371	0.8
104.48311	0.7
106.01082	0.7
111.08276	0.8
112.98572	1.3
119.36919	0.9
121.02974	13.0
122.03309	0.8
126.90427	3.4
133.05075	100.0
134.05417	2.3
136.05328	5.8
149.06018	1.3
150.06850	0.8
165.09196	6.1
172.60382	0.7
209.11862	3.3
211.13399	2.9
237.05508	1.0
239.07021	0.9
241.04970	0.8
251.07257	1.0
253.05208	1.0
253.08881	0.8
254.05858	1.4
264.04196	3.8
265.05060	8.6
266.05630	1.0
276.63531	0.8
279.06656	2.0
280.07568	0.9
281.04697	0.8
281.08090	0.9
282.05554	1.7
283.06134	1.7
293.04559	5.0
294.04999	0.9
295.06073	1.8
296.06879	1.2
297.07712	3.6
301.06958	0.7
307.06015	1.6
308.06842	3.1
309.07843	2.2
310.08575	0.9
311.05722	2.1
311.22327	3.7
324.06641	0.9
325.07101	6.3
326.07751	2.1
336.06476	0.8
337.07166	2.9
338.07919	0.9
339.08990	1.2
351.08676	1.4
353.06610	11.0
353.10440	1.3
368.09073	4.5
383.11368	78.9
384.11749	9.3
448.02600	0.8
459.31149	1.6
476.31268	0.9
477.21890	0.8
477.32150	4.8
505.15082	28.0
506.15503	3.0
639.37585	11.7
640.37506	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19570	1.6
51.84271	1.6
55.49001	1.4
58.03351	1.5
59.01377	6.1
59.94711	1.8
61.82710	1.5
61.98835	21.3
68.99576	3.5
71.01379	19.7
71.31960	3.5
87.00895	15.5
88.98808	5.8
89.02470	5.6
96.96033	2.0
99.35751	1.6
99.92604	1.9
100.68584	1.7
112.98583	5.3
121.02973	17.8
125.02482	3.7
126.90518	7.7
133.05083	100.0
134.05386	2.3
135.04564	4.7
136.05312	30.6
137.02457	5.4
149.06102	7.7
150.06891	3.5
162.06866	7.9
165.01965	2.6
165.09230	5.5
170.02495	1.9
177.01929	2.5
178.02803	3.4
191.05643	2.8
195.10316	3.7
209.06332	1.8
209.11879	7.5
211.13440	4.7
225.11436	2.7
252.20236	2.0
253.09570	2.1
264.04453	4.9
265.05060	9.4
267.06714	3.0
269.04608	1.8
287.05707	2.0
293.04694	5.1
297.07764	3.8
307.06244	3.1
308.07062	2.7
309.07886	3.2
311.05652	2.3
325.07166	9.9
337.07193	3.3
339.08908	2.0
353.06723	11.4
368.09204	4.4
380.90353	2.2
383.11374	81.6
384.11957	6.1
403.25159	2.7
418.30820	2.7
431.31424	8.6
477.32227	18.0
478.32724	2.4
505.15045	26.5
506.15796	4.7
639.37714	60.2
640.38220	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38165	0.5
59.01385	82.1
60.01720	1.1
61.98834	30.7
63.99280	0.8
69.23160	1.6
69.23579	2.4
78.91891	7.5
79.66476	0.6
83.45641	0.5
92.11649	0.6
98.92933	0.6
109.06624	0.6
151.04158	0.6
241.05013	0.7
284.06870	0.6
286.04822	0.9
297.07758	2.1
298.08420	1.0
299.09213	0.8
301.07245	1.1
311.09500	0.7
312.10019	0.9
313.10803	1.3
325.07227	3.2
326.07846	1.7
327.08603	0.9
327.12350	1.2
328.13165	1.1
329.10428	0.8
339.08804	1.0
340.09375	2.9
341.10367	4.3
342.11234	0.7
355.11838	1.8
356.12732	1.9
357.09726	1.8
357.13641	0.8
363.05020	0.6
370.14447	0.8
371.15002	4.5
372.12057	1.3
387.14502	23.7
388.14948	3.1
402.16882	16.3
403.17349	1.8
417.19196	100.0
418.19556	11.6
434.15756	1.1
439.35693	0.6
509.46176	0.6
550.26404	0.6
576.21838	1.7
577.22693	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.4
59.01384	100.0
60.01713	0.9
61.98838	14.2
66.46305	0.4
69.03468	0.4
70.43629	0.5
71.01390	3.2
73.02956	1.6
75.00906	0.6
78.91891	4.2
78.95914	5.0
80.91691	41.8
82.95421	0.7
83.01433	1.0
83.05044	0.8
85.02970	2.0
88.98841	1.6
89.02425	1.2
93.03486	0.5
95.05040	0.6
98.21741	1.0
98.22431	1.8
99.00895	0.6
101.02485	1.5
109.02972	0.9
109.06618	1.2
113.02497	1.4
123.04527	0.8
123.08124	0.5
124.01696	2.4
125.02490	1.1
126.84425	0.4
128.90204	2.6
129.05618	0.6
135.04517	0.6
136.05371	0.7
137.02515	1.6
137.06079	0.6
148.05350	0.5
149.06104	0.5
150.06917	1.4
151.00410	2.6
151.04033	0.6
152.01196	0.7
152.99562	2.5
153.02081	0.5
161.04619	1.2
163.07655	0.6
163.11388	0.8
165.01971	0.9
165.09239	0.6
167.03581	0.5
176.54291	0.5
178.99916	0.7
179.10812	0.7
187.04080	0.6
191.05655	2.1
191.07185	0.7
199.04088	1.4
207.10332	1.2
209.11807	9.4
210.12213	3.6
211.12445	1.5
211.13577	0.7
215.03578	0.6
225.11447	0.7
227.03603	1.0
241.01546	1.3
243.02971	2.3
253.09253	0.5
255.03133	1.8
270.01831	1.3
271.02536	4.3
272.03244	0.6
298.01321	0.8
299.02005	12.0
300.02695	4.0
301.03680	1.2
313.03644	0.8
329.10406	0.8
359.15048	3.9
372.12091	1.0
387.14514	24.3
388.14957	3.2
402.16898	11.1
403.17465	0.7
417.19214	52.9
418.19543	5.7
445.07727	5.1
446.08569	4.5
477.32382	3.2
493.11746	1.9
499.44760	0.5
529.21643	0.7
557.20367	7.1
558.20807	1.2
621.32397	0.6
639.18658	1.3
639.35480	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65111	1.0
55.01875	6.1
57.03467	6.2
57.03685	1.7
58.00594	4.0
59.01384	70.6
61.98831	33.2
71.01387	85.9
72.99300	5.1
73.02950	25.2
75.00871	3.8
78.95911	1.6
80.91671	2.2
81.03468	1.4
83.01394	16.0
85.02957	39.2
85.03485	1.9
87.00892	5.6
88.98834	2.4
89.02454	51.8
95.01394	7.9
96.96007	3.1
97.02956	2.6
98.22066	1.0
99.00884	8.9
100.37399	1.0
101.02454	96.7
102.02807	2.5
104.47021	1.0
113.02460	41.4
114.02767	1.4
116.92854	1.6
119.03519	24.2
125.02438	2.2
129.01942	1.2
131.03531	2.8
135.04504	1.3
136.05313	6.0
137.02469	1.2
143.03477	9.4
149.04555	1.7
150.06889	1.4
159.02995	5.7
161.04570	34.3
162.04959	1.4
179.05620	13.5
191.05611	2.7
205.03592	1.2
209.11884	5.3
211.13361	1.9
226.45525	1.0
239.16519	5.0
315.23199	3.9
357.13086	1.2
397.02573	1.2
459.31299	1.2
477.28491	82.1
478.28760	11.7
521.27966	1.7
639.33813	100.0
640.34149	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3756
Annotation	Guineamide C
Peak:m/z	Relative Intensity
59.01381	54.8
60.01691	0.6
61.98830	6.1
71.01391	6.1
73.02939	0.9
78.95912	1.6
79.95742	0.9
85.02945	1.2
87.00880	3.3
88.98860	0.9
89.02457	1.6
91.00566	0.6
96.96018	27.1
96.97012	1.8
98.22006	3.5
99.00864	0.7
101.02415	1.4
107.05042	0.7
109.55235	0.6
113.02423	1.3
116.92864	0.9
121.02975	2.5
121.06600	0.8
133.05081	19.0
135.04535	4.1
136.05310	45.3
149.06087	12.8
150.06836	1.1
161.04582	1.2
162.06886	15.5
163.07370	1.0
165.05518	1.1
171.10315	1.8
174.06810	0.7
175.07817	0.7
191.05684	1.1
209.11848	1.3
211.13417	1.7
264.04193	1.5
265.05139	1.9
275.20126	0.8
293.04437	1.4
297.07645	1.1
309.07593	0.8
325.07233	2.1
353.06604	1.3
355.11978	1.4
359.15097	2.0
368.09171	0.9
383.11365	16.2
383.16025	1.0
384.11722	2.4
387.14563	8.0
402.16754	5.4
416.29080	5.3
417.19202	27.7
418.19470	4.0
430.30853	1.6
431.31680	14.9
432.32184	1.5
458.30673	1.6
459.31317	1.5
476.31586	3.6
477.32239	30.2
478.32587	4.6
505.15189	4.5
639.37537	100.0
640.37793	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94602	1.4
55.19427	1.5
57.03450	13.1
61.98833	95.8
71.29636	1.7
76.23148	1.4
83.01394	3.1
88.98807	2.5
93.03467	1.4
97.02973	2.8
97.22788	1.2
97.36880	1.1
108.71558	1.3
109.02966	15.6
110.67706	1.4
112.81002	1.2
114.13477	1.3
121.02955	5.0
123.04529	10.0
125.02460	100.0
126.02803	5.1
133.02917	3.5
135.04558	2.9
137.02458	25.3
138.02847	1.4
139.04045	2.5
141.53871	1.6
149.02434	3.8
151.03992	7.1
154.45935	1.4
159.04567	1.9
161.02469	26.5
161.06071	4.8
161.85684	1.6
162.03311	2.1
163.00279	2.2
163.04015	3.9
164.01125	4.1
165.01927	3.8
175.04015	5.7
177.01952	5.8
179.03490	5.9
187.04042	4.4
188.04845	2.1
191.05632	4.0
201.05597	2.2
203.03552	3.1
203.07117	7.3
205.05074	4.5
205.61282	1.2
217.05138	1.7
221.08080	1.7
229.05063	2.4
243.02859	2.0
245.04573	5.0
245.08220	11.3
255.03123	3.7
256.03867	2.2
273.03995	5.3
281.04614	2.7
283.02295	1.9
285.04013	2.3
287.05615	10.3
289.07196	66.3
290.07510	6.1
299.05627	5.7
339.08826	3.9
381.09842	3.1
407.07706	46.6
408.07993	3.7
425.08823	44.5
425.13312	1.0
426.09238	7.0
430.34451	1.4
449.08780	2.7
451.10410	16.3
452.10855	2.9
577.13525	20.2
578.14496	2.8
640.99298	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
59.01387	1.9
61.98833	100.0
65.00335	1.1
71.01385	1.7
71.31717	1.1
73.02941	0.8
83.01390	1.3
89.02473	1.2
101.02448	0.8
103.01598	0.8
110.08463	0.7
111.00909	0.7
121.02990	1.0
124.01707	0.9
125.02460	9.7
127.48912	0.7
149.02463	0.8
151.00444	2.2
152.01247	1.4
164.69429	0.7
165.01982	1.8
177.05605	1.6
178.99936	1.5
191.05606	1.1
201.05545	1.2
227.03526	7.9
243.06664	1.8
255.03011	14.6
256.03592	1.4
257.04443	0.9
259.06091	10.4
269.04736	3.3
284.03256	19.9
285.03940	5.3
287.05634	22.9
288.06058	1.0
375.66367	0.7
476.78290	0.8
577.15637	29.0
578.16113	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31759	0.3
57.03448	0.6
57.75621	0.3
59.01379	3.7
61.98834	100.0
67.01891	4.5
68.02202	0.4
71.01376	1.3
71.31876	0.5
72.99314	19.6
73.02957	0.5
78.32679	0.3
78.91918	2.1
78.95888	0.4
79.95738	0.7
80.91695	3.0
80.96550	1.0
81.03483	0.5
83.05073	0.4
85.02962	1.0
87.00899	0.6
88.98824	3.6
93.03453	0.4
95.05052	1.0
96.96005	0.9
97.02982	1.4
97.06621	0.4
101.02464	1.0
104.24799	0.3
109.02950	0.7
109.06619	1.8
112.98795	0.9
121.06627	0.6
122.03761	0.6
123.04652	0.4
125.02496	1.5
125.06080	1.9
135.04527	0.4
136.05310	0.9
137.02478	0.6
137.06100	5.3
147.08180	0.6
148.36052	0.4
149.06108	0.6
151.07745	0.5
163.07660	0.9
165.09232	0.8
167.03581	0.5
169.05078	6.3
170.05304	0.4
179.07198	0.6
187.06146	10.8
191.05690	1.1
191.10860	0.4
195.10342	0.7
201.09305	0.5
209.11911	1.5
219.10339	1.0
225.00781	0.6
245.60945	0.4
253.09465	0.4
263.10071	0.4
289.14609	0.5
311.13315	0.4
419.21191	0.4
449.19974	0.8
467.20905	1.6
478.31653	0.4
485.22009	0.8
488.22208	0.4
497.21988	0.4
509.31390	0.6
513.17749	0.4
518.30811	0.5
541.20563	2.2
542.21381	0.4
559.21802	7.5
559.29333	0.5
560.22461	1.0
577.22937	18.4
578.23315	2.8
640.34460	0.6
641.27411	1.0
641.36774	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62659	0.8
56.26641	0.8
57.03434	0.9
59.01380	17.4
61.98835	51.5
68.40704	1.0
73.02948	3.2
78.91878	1.7
80.91695	2.8
81.56059	0.9
87.04535	3.0
96.96010	1.1
96.97016	1.0
105.09216	0.9
106.04243	1.4
109.06615	14.4
121.06620	1.0
122.03779	1.2
123.04537	1.6
125.06120	1.9
137.06099	3.6
139.07677	2.1
149.09753	1.3
151.07704	1.2
161.09653	1.0
163.07715	1.4
163.11328	1.1
165.09247	1.4
167.07170	3.0
175.11292	2.8
177.09210	2.0
179.10825	1.7
180.04195	0.9
180.44196	0.8
181.08707	0.9
189.13020	1.4
191.10883	1.7
201.09161	0.9
213.09219	1.1
215.10867	1.5
219.10333	2.3
227.92381	1.2
229.12430	1.0
323.16443	1.5
326.07858	1.3
387.14645	1.3
388.14856	2.9
403.17154	2.1
417.19263	6.6
418.19519	14.9
437.19910	1.8
453.22806	2.1
455.20862	2.2
471.23578	1.2
499.19897	1.1
515.22571	1.9
517.20837	1.2
533.23798	5.2
577.22968	100.0
578.23248	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92358	20.8
69.96195	100.0
70.00575	22.2
77.24841	24.7
82.63935	27.4
102.12525	26.5
108.24596	22.1
108.65844	25.4
160.32593	29.8
160.84236	25.0
164.90028	24.3
179.79953	30.1
297.37640	24.4
551.13513	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31339	54.9
69.31767	34.2
71.42072	13.0
71.78193	13.3
82.53496	13.0
96.65270	13.9
96.95975	13.4
99.04540	100.0
115.20141	12.4
246.15196	14.1
275.83563	13.3
435.21796	97.4
436.22119	15.4
479.20773	69.8
621.88080	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96416	0.6
59.01375	1.6
59.29602	0.7
61.98820	1.6
67.01893	1.0
70.82727	0.6
71.01376	1.6
71.29203	1.2
81.03460	1.0
83.01408	2.1
85.02959	10.3
87.00886	1.9
87.67780	0.7
88.98779	1.0
93.03471	4.6
95.01405	0.9
97.02964	0.8
108.02196	1.1
109.02968	11.1
111.04523	1.4
116.92889	1.4
121.02975	2.6
122.03727	1.2
123.00909	1.0
123.04527	4.7
125.02468	7.6
127.04022	2.1
133.02972	2.3
134.03728	1.9
135.04523	2.7
137.02489	3.5
139.04013	0.9
145.02971	0.9
147.04498	2.3
149.02441	2.6
150.03120	1.2
151.00415	1.1
151.04027	2.9
155.05067	0.8
161.02457	8.2
161.06046	1.4
162.03181	2.0
163.00429	2.1
163.03969	1.6
164.01120	1.0
165.01947	7.2
167.03543	1.1
171.02979	1.0
171.04440	1.3
173.02376	1.4
173.04619	1.6
173.06036	1.3
174.03230	1.3
175.04044	3.8
176.01167	2.2
177.01958	10.3
178.02658	0.8
179.03584	1.0
187.03978	1.9
189.01944	13.3
189.05612	1.3
190.02721	8.2
191.03639	3.8
191.05621	77.7
192.05977	1.9
193.05075	0.8
197.06166	1.1
199.04031	1.5
201.01904	0.7
203.03532	1.1
205.04999	1.3
211.03964	0.9
213.05547	2.2
216.00734	1.2
217.01424	9.3
217.05023	4.1
218.02069	0.8
227.03511	2.8
227.07249	1.5
229.05020	1.2
229.08800	1.0
231.03015	2.8
239.03674	1.1
241.05042	2.0
242.02124	1.1
243.03052	2.2
243.06711	1.0
247.06154	1.0
253.05153	1.3
255.03023	2.2
255.06357	0.9
256.03723	1.9
259.06024	0.7
267.02850	0.9
269.04541	4.9
271.06119	1.9
278.05518	0.7
279.06686	0.8
281.04626	2.4
283.02576	1.1
283.06207	0.9
284.03226	11.2
285.04120	4.2
287.05856	1.5
289.07263	1.7
295.06259	1.0
296.03085	0.7
297.04062	22.6
297.07532	1.1
298.04559	2.6
299.05511	4.2
315.05194	1.7
325.03571	2.6
326.04135	1.0
327.05283	1.9
340.52533	0.8
341.06342	1.2
351.07178	1.2
405.09625	0.9
423.11053	4.5
449.08810	100.0
450.09140	11.4
467.09787	1.4
641.15094	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00307	1.3
59.01404	2.0
62.35878	1.2
64.88908	1.1
70.18552	4.9
81.03456	1.8
83.01385	3.1
85.02956	7.1
85.20048	1.2
87.00889	1.8
89.02484	1.3
93.03461	7.7
97.02956	1.7
99.54020	1.3
109.02966	14.1
111.04524	5.3
119.05013	1.6
121.02943	2.0
122.03772	1.7
123.00861	2.6
123.04547	8.1
124.98869	1.5
125.02464	4.7
127.04028	2.5
133.02951	2.2
135.04546	3.0
137.02466	7.3
139.03992	1.5
147.04506	3.7
149.02454	3.6
149.06148	7.0
151.04050	6.7
155.03555	2.6
159.04529	4.9
161.02454	7.4
161.06073	4.2
162.03145	2.4
163.04016	3.3
165.01936	4.9
171.04474	2.4
173.04552	9.5
173.06029	3.4
174.03210	5.8
175.03995	23.8
176.04703	2.4
185.06096	2.4
187.04002	3.0
188.04787	3.0
189.05589	21.1
191.03720	3.4
191.05617	46.2
191.07323	2.8
192.06006	1.7
198.03291	1.5
199.03960	3.9
199.07614	1.9
201.01915	1.2
201.05566	2.7
203.03574	2.0
203.07179	2.1
205.05116	3.8
209.06079	2.6
211.04079	2.8
212.04703	3.5
213.05629	6.5
214.06279	2.2
215.03479	2.1
215.07054	1.8
217.05070	7.7
225.05432	3.2
226.06378	1.5
227.03484	3.0
227.07126	2.1
229.05219	2.9
231.02942	7.6
231.06502	1.9
240.04236	2.4
241.05103	4.1
242.02200	4.8
243.02991	19.9
243.06638	3.1
244.03494	2.7
245.04468	1.6
245.08200	1.4
251.03629	1.6
253.05002	4.6
254.05577	2.6
255.02821	2.4
255.06664	3.2
256.03903	1.8
257.04568	16.6
258.05313	3.5
259.06158	9.9
261.07687	6.2
264.18851	1.4
271.06125	24.8
272.03439	1.3
272.06503	2.6
273.03897	1.7
273.07733	1.9
281.13962	1.8
297.04010	14.0
298.04446	2.1
299.05548	9.4
300.06329	2.6
363.08344	1.3
379.00964	1.8
379.12018	1.9
381.10022	1.7
405.09952	4.7
407.07858	4.3
423.10889	100.0
424.11130	11.1
449.08713	26.4
450.08881	3.4
467.09781	6.1
489.10605	7.3
641.15198	30.1
642.15302	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96416	0.6
59.01375	1.6
59.29602	0.7
61.98820	1.6
67.01893	1.0
70.82727	0.6
71.01376	1.6
71.29203	1.2
81.03460	1.0
83.01408	2.1
85.02959	10.3
87.00886	1.9
87.67780	0.7
88.98779	1.0
93.03471	4.6
95.01405	0.9
97.02964	0.8
108.02196	1.1
109.02968	11.1
111.04523	1.4
116.92889	1.4
121.02975	2.6
122.03727	1.2
123.00909	1.0
123.04527	4.7
125.02468	7.6
127.04022	2.1
133.02972	2.3
134.03728	1.9
135.04523	2.7
137.02489	3.5
139.04013	0.9
145.02971	0.9
147.04498	2.3
149.02441	2.6
150.03120	1.2
151.00415	1.1
151.04027	2.9
155.05067	0.8
161.02457	8.2
161.06046	1.4
162.03181	2.0
163.00429	2.1
163.03969	1.6
164.01120	1.0
165.01947	7.2
167.03543	1.1
171.02979	1.0
171.04440	1.3
173.02376	1.4
173.04619	1.6
173.06036	1.3
174.03230	1.3
175.04044	3.8
176.01167	2.2
177.01958	10.3
178.02658	0.8
179.03584	1.0
187.03978	1.9
189.01944	13.3
189.05612	1.3
190.02721	8.2
191.03639	3.8
191.05621	77.7
192.05977	1.9
193.05075	0.8
197.06166	1.1
199.04031	1.5
201.01904	0.7
203.03532	1.1
205.04999	1.3
211.03964	0.9
213.05547	2.2
216.00734	1.2
217.01424	9.3
217.05023	4.1
218.02069	0.8
227.03511	2.8
227.07249	1.5
229.05020	1.2
229.08800	1.0
231.03015	2.8
239.03674	1.1
241.05042	2.0
242.02124	1.1
243.03052	2.2
243.06711	1.0
247.06154	1.0
253.05153	1.3
255.03023	2.2
255.06357	0.9
256.03723	1.9
259.06024	0.7
267.02850	0.9
269.04541	4.9
271.06119	1.9
278.05518	0.7
279.06686	0.8
281.04626	2.4
283.02576	1.1
283.06207	0.9
284.03226	11.2
285.04120	4.2
287.05856	1.5
289.07263	1.7
295.06259	1.0
296.03085	0.7
297.04062	22.6
297.07532	1.1
298.04559	2.6
299.05511	4.2
315.05194	1.7
325.03571	2.6
326.04135	1.0
327.05283	1.9
340.52533	0.8
341.06342	1.2
351.07178	1.2
405.09625	0.9
423.11053	4.5
449.08810	100.0
450.09140	11.4
467.09787	1.4
641.15094	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.6
59.01383	3.9
69.03442	1.6
69.62810	2.9
69.63219	1.4
71.01379	3.5
71.47898	0.7
73.02937	1.5
74.05963	0.8
81.03432	1.2
83.01389	2.4
85.02951	9.9
85.87280	0.8
87.00877	2.3
89.02457	2.3
93.03474	7.7
95.01369	1.7
95.05042	1.7
96.96027	1.8
97.02959	2.5
101.02490	1.2
105.03464	3.1
107.48016	0.9
108.02191	1.8
109.02954	16.2
109.03638	0.7
111.00916	1.0
111.04504	2.0
116.92883	0.9
119.05007	1.3
121.02959	6.6
122.03756	1.5
123.04517	6.7
125.02455	20.1
127.04037	2.3
133.02968	24.3
134.03757	2.3
135.04538	9.0
137.02460	8.8
139.03979	2.0
145.02966	1.0
146.03685	1.5
147.00720	1.0
147.04501	3.4
149.02478	5.3
150.03201	1.6
151.04045	5.1
155.03491	1.2
159.04491	2.7
160.05222	0.8
161.02460	11.6
161.06087	1.9
162.03136	2.6
163.03967	3.0
164.01144	1.2
164.04855	1.2
165.01924	8.2
171.03078	1.2
171.04480	1.0
172.05331	1.3
173.02454	1.0
173.03197	0.9
173.04543	8.0
173.06064	2.4
174.03265	2.2
175.03996	7.2
177.01924	18.0
178.02473	1.2
179.03487	6.7
185.06044	1.9
187.03983	3.5
188.04802	1.6
189.01932	8.1
189.05605	2.7
190.02740	6.0
191.03658	4.0
191.05617	81.5
192.06039	2.4
199.03967	1.3
201.05602	1.5
203.07176	1.9
205.01508	0.9
205.05072	4.9
209.04512	1.7
211.04005	1.0
213.05571	1.7
214.06265	1.0
215.03268	1.1
215.07182	0.9
217.01482	5.7
217.05049	6.9
218.01996	1.2
219.02934	1.0
225.05678	1.1
227.03600	1.7
227.07137	1.5
229.05011	1.4
229.08611	1.9
231.02948	2.2
241.05016	2.4
243.02975	1.7
243.06599	1.5
245.08168	2.0
247.06090	2.2
253.05139	2.1
255.02977	1.7
255.06674	1.3
256.03723	2.2
259.06107	2.2
267.02997	1.1
269.04620	2.6
271.03217	1.0
271.06027	4.9
281.04501	2.0
284.03268	8.9
285.04041	3.4
287.05557	3.8
289.07245	6.4
290.07349	0.9
295.06232	1.7
297.04022	14.7
298.04611	1.0
299.05551	4.4
315.04999	1.0
325.03555	1.7
327.05167	1.8
351.07465	4.6
352.07379	1.1
353.08868	4.1
405.09839	0.9
407.08041	1.0
423.10883	34.9
424.11194	3.7
441.17447	2.4
443.19165	1.9
449.08807	100.0
450.09189	10.8
467.09717	3.4
467.15488	1.2
489.10236	3.8
490.10760	1.1
641.15021	7.9
641.30469	1.1
642.15442	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.8
71.01384	2.3
78.70659	2.0
85.02941	7.8
87.00877	2.9
93.03454	9.4
97.02964	3.8
98.21634	4.3
109.02985	15.0
111.04516	5.2
119.05008	3.3
121.03002	2.4
123.00854	2.3
123.04570	11.5
125.02457	14.5
133.02916	3.3
135.04533	6.6
137.02518	9.0
146.03716	2.0
147.04539	4.0
149.02502	4.3
149.06079	5.5
151.04007	4.9
155.03535	3.8
159.04471	4.3
161.02437	7.6
162.03189	3.5
163.00378	3.0
163.04004	10.9
164.01141	2.6
165.01962	4.6
173.04547	13.9
173.05963	2.7
174.03214	6.5
175.04007	24.2
177.01822	4.7
177.05511	3.2
179.03502	3.0
185.06131	4.4
187.03998	4.3
187.07707	2.9
188.04755	3.1
189.05603	20.8
190.02681	2.4
191.05635	62.5
191.07378	3.4
197.06032	2.3
199.04027	7.0
199.07825	2.4
201.05574	4.8
203.03406	2.3
203.07173	3.4
205.05083	5.9
211.04012	5.8
213.05701	3.3
214.06488	2.0
215.03539	3.5
217.05064	9.2
219.06627	2.4
225.05557	4.0
227.03462	2.9
227.07123	2.7
229.05151	4.3
230.02219	2.4
230.22722	2.5
231.03023	6.2
231.06490	2.2
231.10104	2.6
241.05080	5.6
243.02992	19.1
243.06606	4.9
244.03551	2.5
251.03580	2.4
253.05090	5.0
255.02820	2.9
255.06694	3.9
256.03485	2.3
257.04596	19.2
258.05090	3.0
259.06119	7.3
261.07648	5.2
271.02823	3.6
271.06131	27.1
272.06366	2.7
273.04260	1.8
289.07208	3.9
297.04095	12.8
299.05591	6.9
313.07394	2.1
315.05002	2.8
337.09161	2.6
355.11978	2.8
363.09073	3.2
405.09720	5.4
407.07852	4.9
423.10870	100.0
424.11307	12.2
449.08887	28.8
449.14700	4.6
450.08945	2.2
453.19739	2.3
467.09808	6.2
489.10406	8.0
641.15112	29.1
642.15179	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.173
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55856	0.3
59.01369	0.5
60.99309	16.4
61.98830	1.0
69.42030	0.7
69.42435	1.1
71.01367	0.3
73.83350	0.3
87.00909	0.7
87.17190	0.4
88.98810	100.0
89.02469	1.8
89.99176	0.8
98.21857	0.7
100.01109	0.3
103.46996	0.3
122.61154	0.3
125.02471	0.4
127.29795	0.4
167.31259	0.3
300.02826	0.4
334.52820	0.4
360.06564	0.4
371.11520	0.4
385.63177	0.3
439.10156	0.4
579.13202	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10563	0.2
59.01365	0.3
62.50706	0.2
69.75476	1.0
80.59274	0.2
87.22419	0.2
93.03498	0.3
95.36491	0.2
98.21859	0.4
100.88688	0.2
107.79407	0.2
119.05047	0.5
121.02966	100.0
122.03307	3.3
125.02488	0.3
160.84219	2.7
162.83919	1.5
192.79063	0.2
198.52626	0.2
255.34511	0.2
264.04388	1.2
265.05142	0.6
267.06552	0.2
271.72107	0.3
279.06744	0.7
292.03876	0.2
293.04553	2.6
296.06812	0.3
307.06116	0.9
308.06775	1.7
309.07700	0.4
323.09302	1.9
335.05740	0.5
339.08768	0.3
350.08005	0.4
351.08929	0.3
353.06485	0.3
365.10443	0.3
367.08142	1.3
382.10620	0.7
383.11301	1.0
397.12915	3.8
398.13110	0.4
403.04330	0.2
519.16638	13.5
520.16803	2.1
637.79657	0.3
641.12170	0.3
642.13318	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	7.7
59.01381	11.3
61.98837	11.3
72.99315	18.7
73.02958	4.9
75.00866	6.2
78.91898	8.0
80.91689	100.0
81.03458	7.1
85.02946	2.4
87.00883	11.8
87.04537	3.5
89.02454	7.6
96.96035	4.7
97.02898	1.6
97.06622	2.9
98.03751	2.6
99.04532	6.3
101.02466	6.7
109.03001	1.6
109.06619	4.7
111.04538	2.0
113.22616	1.5
123.04559	2.8
123.08154	2.3
125.02450	2.5
137.02422	2.9
137.06068	3.0
137.09741	2.1
149.02333	1.6
161.06139	1.8
165.01961	2.0
171.08160	2.1
173.09741	2.3
189.09163	2.4
199.09802	2.7
214.64525	1.4
237.12692	1.7
271.17123	2.0
273.11551	2.5
283.11850	3.5
331.19186	2.2
351.19714	3.0
361.20502	1.9
401.19922	3.5
415.96609	1.8
431.20840	2.0
451.23560	5.3
461.21274	2.0
471.23740	1.8
479.22467	8.8
483.24048	2.4
491.26419	3.9
493.24554	2.2
497.22217	3.1
501.25568	1.7
509.27435	2.9
519.25989	10.0
537.26892	9.0
539.25519	1.7
553.26556	2.9
559.21808	17.3
560.22211	3.0
581.18500	1.6
581.26227	11.9
595.27771	2.5
599.27234	7.1
623.27112	88.7
624.27478	12.2
641.28375	41.4
642.28571	5.5
666.82794	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95346	1.5
59.01385	10.9
61.98836	61.0
63.99261	9.4
68.97669	8.4
68.98098	6.1
68.99592	2.4
71.01384	6.4
72.99322	16.4
73.02956	3.9
75.00886	10.0
78.95900	4.0
80.91689	16.3
81.03444	2.2
85.02959	3.7
87.00896	2.0
87.04543	3.6
87.80499	1.8
89.02451	9.4
93.03424	1.9
95.05028	2.5
96.96035	10.4
96.97069	2.2
97.02937	2.7
97.06614	2.1
98.22538	4.1
109.02985	3.1
109.06593	4.7
113.02458	3.6
122.03728	3.2
123.04531	4.2
125.02459	4.0
135.04558	2.1
137.02452	2.7
137.06071	8.7
165.01932	5.3
173.66365	1.8
179.03618	2.0
205.05151	1.9
253.12502	2.8
255.06641	2.1
256.07034	4.2
297.18582	2.3
301.11011	3.0
303.05612	2.1
319.32678	1.7
331.19131	2.6
373.20306	2.3
385.20291	4.8
399.14215	1.8
401.19620	2.5
403.21359	2.7
451.23706	2.3
461.19907	5.2
479.22885	3.1
489.20889	3.7
493.24207	3.1
545.24316	2.3
553.26611	25.5
554.26630	5.0
559.21552	2.4
563.26019	8.0
581.18610	4.7
581.26141	100.0
582.26428	12.3
599.26929	7.5
623.27216	23.6
624.27618	3.6
641.27094	35.4
641.37128	1.4
642.27319	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
57.55146	0.4
59.01378	1.3
61.98834	100.0
71.01382	1.5
73.02956	0.5
82.95438	0.5
83.05062	0.6
85.02960	0.9
87.00900	0.9
89.02486	0.7
93.03452	0.5
96.96035	1.1
99.04507	0.7
101.02498	0.5
108.02170	0.5
108.59512	0.4
109.02992	0.4
109.06596	0.5
111.04566	0.6
111.08140	0.4
121.06626	0.7
122.03753	0.7
123.04566	0.6
123.84235	0.4
125.02454	0.8
130.52974	0.5
135.04547	1.5
136.05313	28.9
137.02498	0.7
137.05756	1.4
147.08238	1.1
148.05376	1.2
149.06079	4.8
150.06868	2.7
151.04008	0.5
153.09227	0.8
162.06909	1.9
163.07686	1.1
164.08455	2.3
165.09213	16.5
171.10231	0.4
177.09200	0.7
178.02521	0.4
191.05676	1.4
195.10268	3.1
209.11824	4.2
227.12991	1.1
235.50180	0.5
249.18633	1.9
313.20175	8.7
313.23489	0.7
314.20578	0.7
328.33508	0.5
373.15707	0.5
397.27661	0.7
400.26483	1.0
401.27090	0.7
415.28577	5.6
418.27319	1.0
461.28668	3.5
478.29242	2.4
479.30133	24.9
480.30450	2.6
641.35468	72.5
642.25360	0.6
642.35858	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3913
Annotation	brassinolide-23-O-glucoside
Peak:m/z	Relative Intensity
53.76619	1.2
55.28603	1.2
56.70530	1.5
59.01375	3.7
61.98836	15.7
65.32446	1.4
68.99569	8.6
71.01386	5.3
71.31941	2.4
73.02911	1.2
74.09428	1.5
80.56791	1.2
81.03451	1.6
81.80040	1.4
83.05029	2.4
85.02950	2.3
88.78547	1.2
89.02458	1.8
93.03453	3.1
94.98106	1.2
95.04997	1.8
96.96027	3.4
97.61533	1.2
101.02475	1.6
109.02943	1.7
109.06619	1.6
111.04542	2.2
112.98573	7.0
113.02459	3.0
116.92850	2.1
121.06598	4.0
125.02432	1.5
125.09715	1.9
126.90455	2.4
128.90221	1.8
133.03027	2.1
133.05095	1.4
135.04559	3.0
136.05315	55.0
137.02467	5.5
137.05647	3.0
148.05453	1.3
149.06084	9.8
150.03325	1.8
150.06888	6.7
151.11346	2.1
161.04669	1.9
163.07639	1.7
164.08463	3.1
165.01924	2.4
165.09218	70.0
166.09531	2.3
177.01978	1.9
177.09267	5.8
178.02634	3.2
191.05557	2.9
195.10271	37.2
196.10652	2.0
197.11867	6.0
198.12209	1.7
207.10213	3.5
209.11839	43.0
210.12195	3.1
225.11259	4.0
227.12944	7.0
235.08267	2.5
241.78308	1.5
253.09312	3.9
313.23822	28.7
314.24261	2.3
350.71411	1.4
384.11880	1.7
461.32623	14.8
478.32928	4.1
479.33801	48.3
480.34244	6.1
493.35507	1.5
623.31305	2.6
641.39124	100.0
642.39667	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68273	1.0
54.75348	1.0
59.04419	1.1
60.94792	1.2
61.98834	14.5
69.05413	12.4
71.01405	1.1
74.57623	1.1
108.02199	2.6
150.99283	1.2
151.00385	4.6
163.00305	1.1
178.99911	4.1
199.04210	1.1
223.81664	1.2
227.03265	2.2
236.29099	1.1
243.03014	8.1
254.02318	1.8
255.03011	24.0
256.03366	1.7
271.02490	51.1
272.03015	6.0
299.01892	2.0
300.02771	100.0
301.03278	10.7
306.57343	1.2
579.13562	84.8
580.13855	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09101	1.4
57.03437	2.0
59.01367	3.3
61.98835	18.4
69.53070	10.2
71.01376	4.3
85.02914	1.4
85.88719	1.5
87.47634	1.3
88.98813	2.7
93.03471	1.4
96.95989	1.9
98.21734	1.8
99.04541	3.6
101.02492	1.5
113.02458	2.2
116.92847	8.0
117.92912	2.0
121.02991	2.2
125.02435	3.3
135.04561	1.5
137.02472	1.6
139.05914	1.7
151.00351	4.7
161.02423	1.5
178.99826	2.4
189.68900	1.4
191.05585	4.9
227.03564	3.5
243.02925	8.6
255.02972	26.3
256.03470	2.0
271.02487	41.3
272.03046	2.5
281.13852	7.9
282.14236	4.1
283.15570	2.6
284.03287	6.2
299.01846	3.2
300.02771	100.0
301.03284	11.8
377.09793	2.8
443.19479	2.5
445.20749	3.0
563.96497	1.8
567.17175	1.7
579.13556	92.6
580.13812	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61578	0.7
54.76208	0.8
59.01377	1.4
61.98833	61.3
63.02399	0.8
63.32777	0.7
65.00311	2.3
71.01360	1.1
71.31655	1.6
73.02942	1.8
83.01386	1.1
85.02980	1.8
87.00894	2.0
88.98810	1.6
107.01394	3.0
115.03980	1.2
117.03481	2.2
118.12888	0.6
121.02893	1.1
123.31332	0.7
124.01678	1.4
125.02409	1.3
128.57008	0.8
131.03496	0.8
143.03473	1.0
151.00365	9.9
152.01143	6.2
169.06703	0.9
173.08751	0.7
178.99857	5.2
205.07135	1.0
225.05521	3.9
259.06155	2.1
269.04547	100.0
270.04834	7.1
283.15482	0.8
287.00745	0.9
352.25153	0.8
426.09335	0.7
472.29166	0.8
579.17206	38.9
580.17584	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00998	0.2
51.17597	0.1
54.22143	0.1
59.01396	0.2
59.49134	0.2
61.98834	100.0
69.01617	1.9
70.45235	0.2
71.01411	0.2
75.00884	0.2
79.12288	0.1
89.02482	0.2
96.96027	0.2
98.22642	0.3
109.02991	0.2
117.13235	0.2
126.51574	0.2
136.05322	1.5
137.02458	0.2
137.05688	0.2
148.01260	0.2
149.06030	0.2
150.06804	0.2
165.02031	0.6
165.09244	0.9
180.04358	0.4
181.05313	0.2
195.05106	0.2
195.06700	0.7
195.10367	0.4
196.10739	0.2
197.11911	0.4
209.11844	0.9
210.12248	0.2
211.95987	0.2
224.86147	0.2
225.07780	0.6
227.42526	0.2
229.86325	0.2
254.22603	0.2
479.30127	0.3
481.35458	2.0
498.13644	0.2
579.21246	0.3
606.20819	0.2
641.35486	0.4
642.35974	1.6
643.36908	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
63.05109	2.9
69.58778	13.2
85.02967	5.8
88.29667	2.2
93.03452	2.9
112.66258	2.1
125.02399	2.6
125.21584	2.6
145.57520	2.7
146.37630	2.2
191.05623	100.0
192.05936	5.1
275.21414	2.9
347.70959	3.5
353.08783	7.6
603.30829	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	7.6
70.10363	5.9
71.30827	9.0
78.12937	6.1
85.02962	23.1
93.03437	34.4
93.55428	6.3
96.95976	8.9
105.47825	6.9
108.91457	6.1
109.02974	20.4
111.04487	7.9
125.02442	32.1
134.03755	15.4
135.04538	56.8
137.02451	19.8
151.04027	15.6
161.02444	10.0
173.04553	100.0
175.04036	6.0
176.36203	7.9
178.02679	8.9
179.03502	58.2
191.05634	61.0
192.06108	10.2
193.05019	18.1
201.97690	6.1
203.07156	8.0
208.60858	5.9
245.08066	11.3
287.05646	15.3
289.07230	36.5
353.08841	61.3
354.09552	7.1
451.09756	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.5
60.74118	2.4
68.27034	2.1
81.12698	2.2
83.01401	3.6
85.02942	6.1
89.02496	2.0
93.03456	3.6
94.41394	1.9
109.02968	2.5
119.05032	5.0
125.02435	8.5
137.02492	8.7
139.03940	2.9
151.03961	4.1
160.25391	2.2
163.04021	8.6
173.04601	2.8
177.01866	2.6
191.05626	100.0
192.05946	4.4
202.00336	2.1
279.95587	2.0
283.08115	2.4
289.07166	5.3
294.74100	2.3
317.06674	4.8
353.08664	7.8
590.60950	2.4
643.18359	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
61.98836	0.5
69.11930	1.1
69.12357	0.9
71.01379	0.6
73.02951	1.2
75.00876	1.4
83.05046	0.5
89.02445	0.5
96.96029	0.4
99.00860	1.0
99.92593	9.7
100.92599	0.3
101.02454	0.4
113.02440	0.3
114.93417	0.3
115.00354	0.2
116.92872	100.0
117.01951	3.1
117.92879	4.4
123.04520	0.3
125.02465	0.8
136.05339	0.6
139.35268	0.2
151.04016	0.3
161.02470	0.2
165.12918	0.2
169.12396	0.6
171.10303	0.4
197.11836	8.7
198.12154	0.5
209.11853	8.0
227.12933	1.7
235.08308	0.3
253.09329	0.9
289.07190	0.3
433.20963	0.3
455.37158	0.2
481.35211	0.7
532.89990	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43294	0.7
57.03414	0.7
59.01384	1.9
70.53925	2.0
71.01373	1.7
73.73446	0.8
84.73473	0.8
85.02962	12.7
87.00884	1.8
92.69009	0.8
93.03479	4.5
95.43382	0.7
97.02988	0.8
109.02945	3.0
111.04453	0.9
125.02474	1.2
127.04047	2.5
137.02438	1.8
173.04620	1.1
190.84184	0.7
191.05634	100.0
192.05980	3.5
238.50046	0.7
245.08153	0.7
286.82782	0.8
289.07236	5.1
295.07742	0.8
297.57751	0.8
299.08005	1.0
353.76523	0.8
393.12146	0.8
451.12454	3.5
624.78436	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61807	0.2
59.01383	1.4
67.01889	0.3
69.03445	0.4
69.51656	1.0
71.01384	0.7
73.02936	0.3
75.79139	0.2
81.03459	0.3
83.05011	0.3
85.02956	10.5
86.03291	0.2
87.00896	1.9
93.03464	2.9
98.22534	0.3
99.04511	0.4
109.02957	1.4
111.04510	0.9
123.04495	0.3
125.02426	0.8
127.04024	2.6
137.02431	1.4
151.04047	0.4
153.01903	0.3
155.03513	0.3
161.02403	0.3
167.03539	0.5
171.02980	0.5
173.04570	1.0
179.03435	0.5
189.01888	0.2
191.05626	100.0
192.05963	3.2
203.07094	0.4
205.05103	0.3
245.08240	1.1
289.07211	6.7
290.07550	0.7
299.07736	0.5
451.12454	3.0
452.13004	0.5
663.67883	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67771	0.4
56.07604	0.5
57.64317	0.5
57.99346	0.8
61.98847	3.1
65.77537	0.5
66.95304	0.5
66.95927	0.8
68.99564	4.2
73.02950	0.5
78.95905	0.8
78.97056	0.6
80.91666	0.8
82.95420	21.2
84.35625	0.6
84.95128	19.4
85.00443	100.0
86.00791	1.2
88.44701	0.6
96.96017	1.4
99.92615	1.0
112.98564	4.4
116.92864	10.5
125.02444	1.8
137.02463	0.9
149.68782	0.6
151.04042	1.1
166.59236	0.6
171.35510	0.5
201.57697	0.6
223.15038	0.5
289.07227	0.9
535.25305	0.6
557.20227	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	14.2
61.98830	32.6
70.45828	11.2
70.46186	10.7
71.01384	9.6
76.23430	5.4
78.95876	7.1
82.95419	100.0
83.05025	6.2
89.02469	9.3
96.96014	16.5
98.22168	11.9
113.02544	5.2
116.92881	10.6
125.02489	7.7
129.06950	5.6
136.05292	7.6
162.06995	4.9
163.11417	6.7
165.09224	8.5
169.12383	6.5
191.05687	17.6
197.11859	74.6
209.11844	69.7
212.54254	6.3
216.54221	5.4
227.12897	11.4
253.09303	7.2
317.23254	5.7
481.35330	19.4
550.80365	5.5
602.62018	6.1
643.25549	69.4
643.37036	21.4
644.25562	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74805	0.7
55.01884	0.4
59.01385	4.6
59.69680	0.4
61.05212	0.3
61.98819	1.2
63.07189	0.3
69.03472	0.7
69.05032	3.8
71.01382	3.0
73.02956	0.8
80.02689	1.2
81.03451	1.1
82.95418	0.7
83.01401	0.7
83.05038	4.5
84.02158	0.5
85.02952	1.1
87.00886	0.9
89.02454	2.2
95.05052	0.5
96.95996	0.4
98.22179	1.9
99.04536	0.7
101.02446	3.2
113.02458	1.8
114.85558	0.4
116.92840	0.6
119.03526	0.9
125.02456	0.5
125.06079	0.7
125.09751	0.6
135.08153	0.5
141.09201	0.4
153.09221	0.5
153.12851	1.1
161.04594	1.6
163.11313	3.4
165.12910	2.0
169.12347	6.4
171.10278	1.6
181.12340	0.8
191.05659	0.6
191.10782	0.9
195.13914	0.4
197.11841	99.3
198.12186	5.5
199.13396	0.8
201.11392	3.3
204.57263	0.5
209.11839	100.0
210.12146	5.4
223.13438	2.5
227.12901	14.3
228.13246	0.6
235.08223	3.2
235.13477	0.9
253.09309	10.7
282.58496	0.4
371.22437	1.0
389.23315	0.8
399.11029	0.8
407.24457	0.5
415.19699	0.5
433.20663	2.7
434.21518	0.4
445.20877	1.2
467.16827	0.4
499.16251	1.7
535.93561	0.4
573.20251	0.5
592.04291	0.4
607.31116	1.3
621.82996	0.4
625.32538	0.7
643.41168	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74800	0.5
55.01868	0.3
57.03403	0.4
59.01380	3.7
69.02070	3.3
69.03445	0.6
71.01392	3.1
73.02948	0.7
80.02671	1.2
81.03457	1.4
83.01376	0.5
83.05037	4.8
84.02159	1.1
85.02956	0.7
87.00890	0.8
89.02452	2.4
95.05039	0.9
101.02449	2.5
113.02419	1.5
116.92876	1.9
117.92860	0.3
119.03537	0.8
125.06065	0.3
125.09745	0.4
135.08205	0.5
141.09227	0.4
143.03503	0.4
145.04980	0.4
151.11287	0.4
153.09172	0.4
153.12866	0.9
161.04573	1.5
163.11288	3.8
165.12851	2.4
169.12349	4.9
171.10258	1.4
179.05594	0.4
179.10764	0.7
181.12352	0.4
191.10793	1.1
197.11835	79.6
198.12169	3.9
199.13446	0.5
201.11263	0.4
209.11838	100.0
210.12184	6.2
219.14009	0.4
223.13440	0.7
227.12885	13.7
228.13245	0.7
235.08232	3.3
235.13326	0.6
253.09283	8.6
254.09608	0.6
369.33505	0.3
371.22125	0.5
389.23444	0.7
415.19580	0.3
433.20688	2.5
434.21271	0.4
445.20767	1.1
499.16418	0.7
539.24536	0.3
607.31293	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02184	0.6
57.03434	0.7
59.01377	2.6
59.33727	0.7
61.98822	2.9
62.52444	0.8
69.00835	7.4
71.01382	1.0
76.06391	0.7
82.95422	21.3
85.02953	1.1
87.00874	1.0
89.02422	0.9
96.96018	5.6
98.21934	3.1
99.04522	0.8
109.02958	1.1
121.06625	2.0
122.03754	1.3
123.08188	1.2
131.41051	0.8
135.04506	3.5
136.05316	41.5
137.02448	2.5
137.05685	1.2
148.05373	1.0
149.06065	6.4
150.06866	2.9
151.00441	1.5
151.07417	0.6
159.70331	0.7
162.06847	2.9
163.07611	1.6
164.08492	4.6
165.01955	7.0
165.09222	24.0
166.02695	0.7
166.09531	1.6
179.03545	1.2
180.04306	3.0
181.05084	1.3
188.06737	0.8
189.05966	0.8
191.05629	1.6
195.06624	3.0
209.11790	0.9
225.07687	2.4
225.11273	1.2
249.18886	0.7
251.20108	1.5
289.14886	0.7
315.21765	14.3
316.22025	1.1
402.27847	1.2
402.59698	0.8
417.15610	1.9
417.30081	1.5
418.76703	0.8
420.28940	2.2
435.31161	8.6
436.31442	1.2
463.30743	5.2
480.30771	3.4
481.31741	34.4
482.32111	4.3
517.14795	0.8
595.22522	1.2
643.37012	100.0
644.37390	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17075	0.6
59.01371	2.7
61.98838	3.1
70.13147	1.2
70.13544	1.7
71.01375	1.8
79.95741	1.2
80.02680	1.8
81.03456	1.1
82.95433	1.8
83.05039	5.3
84.02167	2.4
85.02927	0.7
93.03461	1.0
95.01362	0.5
95.05028	0.6
96.96007	1.9
97.02995	0.6
101.02453	0.9
111.55261	0.5
115.70885	0.5
125.02479	0.9
125.06143	0.7
130.79366	0.5
135.04529	0.8
137.02438	1.9
151.04028	0.9
163.11310	5.2
165.01976	2.2
165.12833	2.5
179.03477	0.8
191.05615	1.4
191.10838	1.0
209.11839	100.0
210.12183	5.8
223.06140	0.8
225.86504	0.6
227.12904	33.9
228.13251	2.3
285.04095	0.9
369.55197	0.7
396.53671	0.6
415.23398	1.1
448.43848	0.6
481.22137	1.2
600.17706	0.8
643.27307	4.4
644.28467	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25025	17.6
61.98862	23.0
64.52596	16.2
78.95918	21.1
87.57829	17.5
101.71170	16.0
103.61862	17.2
107.90639	17.4
123.85307	16.5
152.99713	18.3
181.50853	17.2
531.10883	17.9
643.39850	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.6
62.04298	0.9
63.01012	0.9
68.99576	19.9
71.31136	1.1
73.02918	1.0
90.41769	1.0
91.47964	1.0
99.04562	1.1
99.92599	12.8
103.01514	1.5
112.98570	22.8
116.92867	100.0
117.92878	5.3
120.50506	1.2
135.90266	1.3
285.52930	1.0
401.12137	2.8
576.76495	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55323	8.6
59.01374	11.0
59.16764	8.0
61.98838	22.3
70.94559	19.9
91.20645	8.5
99.04530	84.5
116.92843	9.9
137.23946	8.8
152.76624	9.3
261.97684	10.3
345.21570	10.1
414.48483	8.2
483.31229	15.9
499.19284	9.7
595.18152	100.0
596.18427	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16406	1.1
57.03448	4.2
69.34487	3.3
69.34916	5.6
81.03486	2.7
83.01405	3.5
93.03468	2.4
95.01430	1.4
95.05036	3.4
96.96022	1.6
97.02973	6.4
98.21861	2.4
108.02129	1.2
109.02960	27.3
109.03712	1.6
119.05005	2.7
121.02984	3.3
122.03749	1.7
123.04539	16.7
125.02468	18.9
131.05119	1.1
133.02921	1.2
133.88051	1.2
134.03760	2.3
135.04543	3.9
137.02466	10.2
139.04022	4.3
146.03719	2.1
149.02425	2.7
151.04007	10.9
159.04553	2.6
160.05247	1.6
161.02452	2.4
161.06125	5.9
163.04042	4.6
164.01178	3.0
165.01949	4.6
167.03491	2.4
173.04623	1.2
174.03296	1.4
175.03995	2.7
178.02719	1.6
179.03508	6.6
187.03986	7.2
188.04805	3.7
191.05623	3.8
193.05023	5.9
202.06348	1.6
203.07155	12.2
205.05054	8.6
221.08223	2.3
227.07071	2.6
230.05910	1.5
243.89288	1.3
245.08188	17.7
247.06129	1.5
271.06104	1.6
280.28143	1.3
289.07193	100.0
290.07486	8.9
301.93811	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33140	0.9
52.04378	0.9
53.67054	0.8
56.01857	0.8
59.01373	3.7
70.12250	1.6
70.12639	2.2
71.01380	1.5
82.95434	5.4
84.95126	24.1
85.00443	100.0
87.00867	2.4
89.02480	2.2
96.96031	0.9
98.21793	1.0
98.22360	2.0
99.04531	48.8
101.02432	1.8
102.81022	0.9
108.56063	0.8
112.98543	0.9
113.02464	1.4
135.04503	1.2
145.06592	1.5
146.54427	0.9
149.04683	0.9
161.04558	3.2
165.05563	3.4
173.06076	9.7
191.05548	1.5
197.11809	1.5
198.12138	1.1
201.05571	13.6
201.11404	1.0
209.11884	2.4
213.05557	1.7
224.04774	1.8
225.05676	0.9
228.04173	1.1
237.01924	2.9
239.03502	1.3
239.06888	1.1
240.04181	1.4
251.03490	1.0
252.04167	4.6
253.04935	2.9
254.05826	1.3
255.06429	1.2
262.84457	0.9
265.05066	3.2
266.05893	2.6
267.06656	1.6
269.08228	1.1
279.03009	2.1
279.06354	1.4
280.03769	6.9
281.04459	4.1
281.07950	1.3
282.05258	2.4
283.05975	2.4
293.04565	2.5
294.05472	2.0
295.02859	1.9
295.06134	27.2
295.09448	1.7
296.03387	1.8
296.06683	5.3
297.07645	4.0
307.06192	3.1
309.07672	3.0
310.04858	2.7
310.08450	8.1
311.05499	3.0
311.09189	3.0
320.06564	1.2
322.04721	1.2
323.05597	2.5
324.06476	1.1
325.07309	7.4
325.10742	1.6
326.07779	2.5
336.06372	2.8
337.07269	5.3
338.08011	5.2
339.08560	1.2
340.09152	1.6
341.10294	2.9
351.08990	2.3
353.06570	7.5
353.10336	31.5
354.10800	3.7
368.09064	4.5
383.11392	70.6
384.11801	6.8
401.12497	2.1
438.12756	0.9
441.15549	1.9
483.16733	11.0
484.16986	2.3
515.15594	3.0
545.16626	7.5
603.20197	1.2
645.21436	2.9
645.38983	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51311	0.8
58.37811	0.7
59.01372	2.3
61.98829	1.2
71.01366	1.6
83.03713	0.7
89.02417	0.9
98.21710	1.4
98.77895	0.7
99.04530	77.9
100.04891	1.2
102.67602	0.8
116.92889	0.8
132.82419	0.8
135.04506	1.5
145.06598	0.9
163.04041	1.1
165.05565	7.4
173.06090	9.3
189.01996	1.2
197.11865	2.0
198.12134	1.3
201.05594	11.9
209.06047	1.2
209.11790	1.1
210.12112	1.1
211.03882	0.9
211.07643	0.8
212.04765	1.2
213.05566	1.0
217.05133	1.6
224.04741	1.9
225.05644	1.0
226.06442	0.9
235.03853	0.8
237.01967	4.5
237.05351	1.1
238.02611	0.9
238.06400	2.1
239.03239	0.8
239.07205	1.5
240.04333	1.7
241.05151	1.5
241.08693	1.0
249.05547	0.9
251.03513	3.1
252.04243	6.4
253.04979	3.1
253.08817	1.7
254.05890	1.9
255.06725	2.2
263.03708	1.4
264.04422	1.4
265.05011	3.0
266.05777	3.1
267.06607	2.1
268.03751	1.0
268.07480	1.1
269.04681	1.3
269.08087	1.5
278.05652	1.2
279.03070	2.5
279.06390	1.4
280.03809	14.9
281.04492	6.2
281.07907	1.6
282.05225	3.3
283.06070	3.0
291.06476	0.9
293.04733	4.0
293.07642	0.8
294.05344	2.5
295.06134	37.4
296.03299	2.4
296.06757	9.9
297.07620	4.5
298.08609	1.3
305.04465	1.3
306.05350	2.0
307.06158	4.7
308.06754	1.4
309.04306	1.4
309.07675	3.8
310.04880	3.5
310.08487	11.8
311.05569	4.1
311.08829	4.4
312.09659	1.3
313.10727	1.2
320.07040	0.9
321.07620	2.1
322.04956	1.9
322.08304	1.3
323.05609	3.9
324.10159	1.3
325.07193	9.9
325.10617	1.5
326.07870	3.5
335.05698	1.1
336.06458	3.2
337.07169	7.9
338.04361	1.4
338.07870	7.2
339.08478	1.2
340.09537	1.8
341.10416	3.6
351.08829	2.8
353.06577	9.5
353.10352	54.6
354.10690	5.4
355.12094	1.4
368.08960	6.1
383.11404	100.0
384.11865	9.9
401.12411	1.0
441.15814	4.5
445.65845	0.8
483.16660	24.4
484.16827	3.0
500.12894	1.1
515.15680	4.3
545.16486	8.0
546.17316	1.4
603.20996	1.9
645.21906	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48618	1.1
59.01381	3.0
63.11094	0.9
71.05024	22.3
73.02959	3.4
76.81964	0.9
77.60000	0.8
87.00883	56.0
91.13079	1.0
99.04530	19.1
115.04026	4.7
116.92863	1.7
117.05667	1.3
135.24193	0.9
135.91225	0.9
143.03496	1.8
145.02972	1.4
161.04573	100.0
162.04912	2.7
163.04025	1.2
197.11876	5.8
198.12215	3.6
209.04073	0.9
209.11859	5.9
210.12146	4.3
211.12505	1.2
235.45920	1.2
255.02957	1.4
257.04553	1.8
264.04254	1.5
265.04877	1.3
271.02554	1.7
281.04782	1.0
283.02618	4.9
283.05545	1.0
285.04068	2.3
286.01181	2.3
292.03555	1.4
293.04599	2.6
296.03336	2.1
297.04355	1.2
297.07675	1.9
298.04803	1.8
299.05563	2.4
300.03122	1.2
301.03604	2.4
305.08295	1.4
308.06952	2.6
309.07501	1.3
311.05817	3.1
313.07156	1.6
315.05048	1.9
315.08505	2.1
319.08456	1.1
325.07104	3.7
326.07944	2.4
335.05652	1.5
350.04172	1.1
350.07928	5.9
353.06580	2.5
365.10263	2.6
368.09027	1.3
369.09744	4.2
371.07782	2.9
383.11243	7.1
386.09900	1.7
401.12427	54.0
402.12659	6.2
483.16605	3.9
501.17712	56.4
502.17966	7.9
542.00171	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43531	1.0
59.01379	6.9
71.05026	15.0
73.02953	3.2
79.16119	1.1
85.04388	1.0
87.00883	72.1
98.22643	2.3
99.04527	26.7
112.65355	1.0
115.04018	3.6
116.92890	3.0
143.03514	1.3
150.18785	1.0
161.04568	100.0
162.04953	3.8
171.68332	1.1
197.11707	3.0
198.12163	1.4
209.11885	4.1
210.12102	1.5
211.00377	1.2
220.31067	1.0
241.05089	3.2
243.03024	1.5
255.06789	1.6
258.01758	1.5
259.06046	1.7
264.04346	1.6
265.05035	3.3
268.03445	1.2
269.04599	1.6
271.02527	4.2
272.03110	2.1
281.04501	1.6
283.02533	4.5
283.05939	2.7
284.03168	1.8
285.04004	3.1
286.01447	2.6
286.04837	2.3
293.04568	4.3
294.05496	1.1
296.03250	2.8
297.04242	1.3
297.07495	1.7
298.04962	2.6
299.05637	5.2
300.06326	1.4
301.03510	4.9
307.06046	2.3
308.06976	2.6
311.05743	3.8
313.07175	1.2
315.05099	2.3
315.08734	2.2
323.05502	1.1
323.09152	2.5
325.07150	3.8
334.91415	1.1
335.05380	1.8
337.07382	1.5
340.05804	1.4
341.06329	1.7
341.10074	1.5
343.08194	2.3
350.08069	7.6
353.06778	3.8
355.11993	1.2
357.09894	2.0
365.10291	3.5
369.09921	8.6
371.07965	3.2
383.11414	9.4
384.11780	1.3
401.12427	80.3
402.12872	8.9
483.16583	4.2
501.17688	72.8
502.18005	10.9
504.92499	1.2
645.29907	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08297	0.3
55.42345	0.3
57.99327	1.2
82.95412	3.1
84.60176	0.3
84.95127	14.9
85.00441	100.0
86.00779	0.8
96.96013	0.3
100.80481	0.3
125.79611	0.3
153.03012	0.3
383.11533	0.6
387.00183	0.3
507.42691	0.3
546.24359	0.4
561.37573	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93368	0.8
57.03427	0.9
57.99331	1.2
59.01381	4.1
61.98833	5.5
61.99092	0.9
62.53577	0.8
68.95621	1.2
68.99574	1.1
71.01380	2.2
71.28642	1.0
72.99313	1.1
79.95760	1.0
82.95438	8.5
84.94608	2.0
84.95129	42.0
85.00443	100.0
89.02443	2.2
96.96026	0.9
101.02432	1.2
109.02946	2.1
112.98567	1.6
114.93420	6.8
115.00366	1.6
116.92860	3.6
121.55695	0.9
125.02462	2.7
127.94560	0.9
137.02422	2.4
137.10608	0.9
149.02379	1.8
150.03127	1.8
151.04001	1.1
159.15753	0.8
165.01929	2.9
168.10760	1.0
257.04428	0.9
289.07071	1.0
305.06757	1.8
317.06567	1.7
338.11505	1.0
547.28021	0.9
560.21875	1.2
565.22754	1.1
599.20599	1.2
622.64221	0.9
645.18549	12.8
645.28510	1.8
646.19104	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99347	0.7
61.98794	0.8
66.09019	0.5
68.95626	0.6
68.99564	0.9
70.93603	0.9
72.38194	0.4
82.95428	2.8
84.95130	15.5
85.00443	100.0
86.00134	0.5
86.00772	0.9
96.96014	0.8
108.40997	0.5
115.79292	0.5
116.92907	0.6
184.94177	0.5
185.49152	0.4
261.38461	0.5
362.86639	0.5
596.69788	0.5
651.55994	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75948	2.6
59.01090	6.2
59.01384	100.0
59.13312	2.6
59.23719	2.4
60.42005	2.7
61.34606	2.9
61.98808	4.5
71.31042	3.8
72.48254	2.7
80.24403	2.8
85.00468	7.4
96.13689	3.2
103.00440	4.6
103.01511	69.1
116.92876	19.4
161.69057	3.0
401.12695	3.8
490.11072	3.4
579.92303	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15828	2.2
59.01379	13.7
61.98823	10.4
70.47365	2.3
70.65009	6.2
71.01391	5.4
71.05008	4.9
71.57294	2.2
73.02947	3.8
81.03458	9.1
83.05035	4.8
83.37214	2.2
84.95123	3.3
85.00438	9.6
85.02951	6.2
87.00862	5.6
93.67468	2.5
95.05027	4.6
96.96011	2.8
97.06557	2.9
99.04529	100.0
101.02448	4.6
107.05011	2.4
109.02957	4.2
109.06596	4.0
109.30000	2.4
111.30043	2.2
115.00394	2.5
116.92858	9.9
121.06612	2.7
122.03692	2.7
123.04526	5.8
123.08130	4.0
125.06110	3.4
127.07627	2.7
135.08186	4.8
137.06071	2.8
147.08115	2.9
149.06119	5.6
149.09689	5.3
151.11293	4.7
153.09225	10.5
155.20871	2.3
163.07605	2.8
165.09254	5.0
169.12401	22.3
170.12605	2.9
171.10283	4.7
175.07654	2.7
177.09242	3.0
184.56818	2.3
189.09235	16.7
191.05705	6.0
191.10751	8.4
197.11835	5.8
199.07693	2.7
199.13477	3.8
203.10664	3.3
207.10320	3.6
209.11790	7.4
213.09209	3.4
222.10167	2.1
227.12862	2.4
229.12306	4.1
233.12172	2.8
235.29526	2.3
247.13370	5.7
269.12021	2.6
271.10422	2.3
271.13437	10.4
277.12415	2.7
295.13437	17.9
297.15094	4.1
313.14630	11.3
321.14725	2.7
323.81509	2.3
329.10181	3.5
331.15488	5.1
337.18329	3.3
339.12387	3.1
339.16095	6.9
357.13226	7.6
397.20126	5.5
421.20377	9.8
439.21295	19.9
457.22147	3.5
465.19009	7.2
483.20316	60.9
484.20575	6.6
487.35184	2.6
645.30530	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94818	10.5
61.98825	19.6
62.12951	12.6
78.95918	12.1
79.37995	13.1
97.29783	11.7
116.23315	12.2
116.92818	11.2
128.77617	10.4
160.84192	60.4
162.83908	100.0
171.10280	22.0
201.39027	11.2
202.11279	11.5
295.22797	22.9
399.42197	13.5
485.32700	26.9
500.12842	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04583	12.8
59.01379	33.1
61.98821	53.4
65.97823	13.6
71.01402	14.9
90.70563	14.7
97.70193	15.3
99.04534	100.0
110.09268	15.7
115.03968	17.4
116.92863	33.4
141.34697	11.9
215.09625	13.3
233.45438	13.3
235.50795	12.9
413.80365	16.0
485.32706	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.8
59.01369	5.3
69.03431	2.3
71.01379	4.3
71.29296	1.2
83.01391	15.1
85.43488	1.1
93.03461	4.6
95.01380	2.8
95.05036	2.5
96.95985	1.4
97.02956	9.2
99.66148	1.2
107.05038	1.1
108.02184	8.4
109.02956	45.0
110.03302	2.2
111.72022	1.0
113.21005	1.1
117.03451	2.1
119.04999	2.0
121.02975	9.1
122.03741	3.7
123.00892	4.2
123.04531	31.3
124.01651	2.2
125.02450	24.1
126.41310	1.2
133.02957	4.3
133.56808	1.2
135.04527	6.2
137.02443	14.1
138.03307	1.3
139.04037	8.0
145.02957	3.8
146.03700	2.8
147.04570	2.4
148.05310	8.3
149.02464	18.5
149.06120	10.6
150.03128	1.4
151.04025	17.4
159.04492	7.5
160.05295	5.1
161.02457	29.8
161.06068	13.3
162.03192	5.2
163.00409	2.2
163.04012	18.7
163.07640	6.1
164.01169	3.1
165.01933	5.1
165.05588	1.6
172.05319	5.4
173.06068	4.1
174.03221	4.7
175.04010	9.0
175.07620	3.2
177.01923	4.0
177.05548	3.6
179.03497	4.5
181.05020	3.3
184.05263	2.5
185.06136	3.1
186.03210	1.9
186.06859	2.6
187.04037	6.5
187.07663	6.0
188.01106	2.6
188.04814	5.5
189.01915	4.1
189.05605	3.6
193.05069	2.1
196.05396	1.3
199.03993	2.1
199.07631	2.0
200.04668	1.9
201.05551	5.1
201.09315	1.5
202.02667	1.8
202.06322	4.4
203.03596	5.9
203.07115	14.6
204.04204	2.4
204.07832	1.4
205.05063	24.8
213.05602	3.5
214.06299	2.5
215.07068	2.0
216.04274	3.0
217.04987	1.4
217.08571	1.7
219.06557	1.4
219.10336	1.7
225.05479	2.7
226.06186	1.5
227.03525	2.1
227.07138	4.2
228.04279	1.6
228.07898	4.0
229.05070	3.8
229.08659	3.2
231.02982	3.0
231.06616	3.6
239.07187	1.7
241.05072	2.5
241.08708	1.6
242.05794	1.3
243.06651	1.5
245.08234	11.4
247.06088	10.4
253.05124	1.9
255.06671	1.6
257.04660	2.6
266.05890	1.2
269.04559	1.7
270.05316	8.1
271.05972	4.6
272.06931	2.8
273.04379	1.7
273.07666	3.4
282.05328	2.6
283.06097	3.0
284.07104	2.2
285.04379	2.1
285.07672	18.5
287.09277	13.0
289.07159	50.9
290.07571	2.5
297.07578	3.0
299.05396	1.4
299.09174	2.8
303.08658	2.0
310.04852	3.9
311.05563	2.2
313.07138	3.8
315.08789	3.4
324.06412	2.8
325.07196	10.1
326.07831	4.6
327.08832	4.5
339.08810	3.2
343.08371	2.3
348.91992	1.2
351.12680	1.8
357.09784	1.3
358.08279	1.3
381.13556	1.4
393.13196	2.5
437.06201	2.0
437.12427	76.7
438.12625	9.7
449.12436	97.2
450.12866	11.7
467.13483	100.0
468.13611	12.3
470.43008	1.2
495.15112	3.4
647.19830	21.5
648.19611	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.7
59.01376	6.1
69.03436	2.7
69.53185	9.2
71.01379	2.9
83.01393	13.8
86.48993	1.7
93.03459	3.7
95.01419	2.6
95.05024	5.3
97.02953	8.3
98.22501	3.0
101.02490	2.1
105.03461	2.1
107.05060	2.1
108.02170	7.3
109.02962	41.9
121.02973	10.4
122.03765	4.9
123.00869	2.3
123.04531	35.6
123.52322	2.0
124.01662	3.4
125.02454	24.7
133.02936	6.4
135.04524	5.3
137.02429	13.4
139.04015	7.0
145.02963	4.7
146.03758	3.6
147.04474	2.8
148.05328	11.2
149.02446	18.1
149.06075	9.0
150.03276	2.0
151.00388	3.4
151.04025	20.0
159.04514	6.1
160.05353	6.7
161.02446	27.3
161.04698	3.1
161.06059	16.2
162.03180	5.5
163.00476	3.6
163.04019	14.5
163.07657	6.6
164.01178	5.7
165.01942	6.5
167.03450	3.0
172.05316	7.4
173.06044	3.8
174.03241	5.1
175.04012	10.1
175.07634	4.0
177.01851	2.2
177.05519	2.7
179.03513	6.9
184.05312	2.8
185.06078	3.7
185.41219	1.8
186.06749	2.4
187.04025	8.5
187.07697	9.8
188.04788	5.9
189.01929	4.9
189.05589	4.4
191.03482	2.5
197.06203	2.1
198.06882	2.1
201.05592	7.7
201.45175	1.9
202.02739	4.1
202.06134	2.6
203.03534	7.3
203.07126	13.5
205.05066	25.6
206.05632	2.1
213.05597	2.7
214.06410	2.8
216.04330	3.4
217.08655	2.1
225.05588	2.3
227.03539	2.5
227.07002	3.1
228.08099	2.8
229.05074	5.4
229.08633	4.8
230.05800	3.2
231.02989	4.9
231.06619	4.4
239.07066	2.2
241.04985	2.2
241.08693	2.5
245.04427	2.2
245.08208	10.3
247.06055	12.1
254.05589	1.9
267.06540	2.0
269.04611	2.9
270.05417	8.2
271.06094	5.0
272.06808	2.3
273.03943	2.4
273.07468	2.0
282.05194	2.5
283.06027	4.0
285.04459	3.5
285.07657	20.5
287.06104	2.9
287.09219	15.4
288.09567	2.4
289.07208	53.6
290.07626	4.0
297.07840	2.3
297.36890	2.1
309.04111	1.9
310.04868	3.1
311.05743	2.9
313.07263	3.9
315.08698	6.5
324.06387	4.4
325.07059	11.0
326.07980	5.0
327.08749	5.4
339.08881	3.7
343.08282	2.3
351.12555	2.0
393.13348	2.9
396.66504	1.8
400.92712	2.0
437.12430	83.8
438.12704	8.7
449.12460	100.0
450.12823	11.1
467.13504	96.6
467.20380	3.0
468.13748	13.8
495.14999	12.2
625.35315	2.1
647.19879	21.2
648.19885	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59354	0.4
55.89693	0.4
58.00607	0.5
59.01376	2.1
60.99311	15.5
61.98824	1.3
65.88217	0.6
66.38716	0.4
68.20606	0.4
69.01658	2.3
69.02075	2.4
69.85918	0.5
71.01377	1.5
73.02937	1.1
75.00871	0.6
80.14849	0.4
83.04982	0.6
85.00456	0.6
85.02971	0.8
87.00897	1.2
88.98812	100.0
89.02450	1.0
89.99124	0.8
96.96038	0.6
97.06641	0.5
98.22406	1.7
101.02457	1.0
111.04520	0.6
116.92886	2.0
124.56968	0.5
125.02442	0.7
126.90405	0.7
127.04053	0.7
141.09238	2.3
172.56155	0.4
191.05684	1.4
201.11314	0.5
209.11821	1.4
219.75629	0.5
301.44510	0.5
335.30640	0.6
347.05157	0.5
402.31415	0.5
517.33752	1.1
603.41107	1.5
629.38995	2.7
647.30164	1.1
647.39734	1.4
661.20819	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	17.1
60.99309	15.9
61.44222	1.0
61.98821	2.5
65.72249	1.1
68.99559	1.4
70.03146	3.1
78.08144	0.9
78.99799	1.0
81.13770	1.3
85.00406	2.0
88.98813	100.0
95.63222	0.9
95.84259	1.1
98.53152	1.0
100.16288	1.0
103.01506	13.9
108.02074	1.1
116.92871	3.9
347.22012	1.1
526.19995	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.8
59.01380	1.7
59.62263	0.8
61.69476	0.8
71.01379	1.6
85.02937	5.6
87.00891	1.6
93.03480	2.0
101.93954	0.9
109.02977	3.3
115.03667	0.8
123.04530	2.0
125.02479	3.9
127.04057	1.0
129.17192	0.8
133.02969	0.8
137.02522	2.5
161.02454	3.8
167.03540	0.8
191.05623	100.0
192.05965	3.3
194.08311	1.4
229.35254	0.8
245.08253	1.1
246.08548	0.9
247.06093	0.9
289.07291	4.8
290.07547	2.5
293.12677	1.2
352.31296	0.8
353.08795	10.5
354.09341	1.7
407.07773	1.6
408.07993	1.7
434.24744	0.8
437.12531	1.5
444.35864	0.9
449.12396	1.9
452.10843	1.1
459.57397	0.8
467.13257	0.9
647.19171	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11013	0.7
59.01380	1.7
63.76630	0.7
71.01392	1.3
85.02959	6.3
86.01865	0.9
87.00885	1.4
89.02458	0.8
93.03482	3.5
109.02966	1.2
111.04484	1.0
125.02463	2.5
127.04016	1.9
131.07135	0.9
133.03015	1.0
135.04501	1.6
137.02434	1.3
138.94028	0.8
161.02481	2.9
173.04610	1.4
177.01883	1.3
179.03511	1.8
191.05624	100.0
192.05954	4.2
197.65399	1.0
215.37764	0.7
217.37013	0.7
289.07126	2.6
290.07837	0.8
293.12527	1.5
302.60468	0.9
353.08807	10.7
354.09024	0.9
596.75500	0.8
644.02386	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	11.4
69.03439	20.8
69.03841	88.2
99.04520	21.4
99.36438	10.5
104.82341	10.7
116.38349	11.7
117.24294	9.8
179.60100	10.7
276.06613	12.7
407.18204	13.2
485.32922	100.0
592.97546	13.6
647.22296	30.9
647.38739	12.3
648.22504	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2265
Annotation	Guangsangon J
Peak:m/z	Relative Intensity
61.98824	9.6
63.28016	9.9
73.33634	10.4
88.19668	10.2
98.22634	22.7
99.04509	45.1
121.93370	11.1
137.06053	33.3
329.14105	10.8
493.18704	13.8
554.74799	10.1
647.22729	100.0
654.26691	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.8
61.98838	2.2
69.43201	2.6
69.43613	6.3
71.01382	2.1
78.91923	1.2
80.91690	26.3
88.34332	1.1
89.09715	1.2
93.38204	1.0
96.96014	8.2
99.92597	1.4
109.02994	1.4
117.00467	2.1
121.02987	1.3
121.29465	1.1
123.04489	1.8
125.02480	2.9
137.02475	2.2
152.61415	1.1
159.11719	1.1
165.01938	2.3
165.05652	1.4
243.03613	9.5
254.02206	4.8
269.04514	3.9
273.46240	1.3
287.05722	3.2
292.63492	1.0
297.07663	3.5
297.10959	1.1
299.09171	1.1
301.06921	1.1
305.04181	2.3
312.10248	1.8
314.11752	1.5
320.06665	2.1
325.07306	2.1
326.08069	7.1
327.08572	1.7
329.10406	2.4
330.10974	1.6
335.09027	4.2
340.09628	2.6
341.10257	6.9
343.08054	1.5
348.06305	3.4
352.05673	2.3
355.11832	8.9
356.12546	3.8
357.13593	2.0
363.08533	6.9
365.84729	1.1
367.07916	8.6
367.11945	2.1
368.08362	1.2
371.15158	1.6
373.12863	9.1
388.15350	7.6
395.11514	6.2
403.17609	22.0
404.17889	3.0
410.09637	4.3
410.13940	24.1
411.14243	1.9
425.15854	100.0
426.16226	10.6
439.12448	2.3
442.12619	1.7
443.16949	26.5
444.17020	2.1
470.14569	2.4
517.16382	1.4
539.09991	1.1
539.18860	3.1
587.20355	12.6
588.20654	2.5
647.21729	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01697	1.4
61.98833	8.9
71.31022	1.3
77.21870	0.9
96.95995	1.5
103.00384	3.4
103.01501	79.5
107.94235	0.8
116.92860	1.7
125.43260	0.8
149.39157	1.0
154.94395	0.9
156.86853	0.8
162.04704	0.9
174.69351	0.8
197.97968	1.1
242.83659	0.9
501.20865	0.9
634.85938	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78222	0.8
59.01384	100.0
61.98831	1.5
71.21762	0.8
71.29065	0.9
71.99827	0.7
75.00903	0.9
77.65625	0.9
84.95121	0.8
85.00442	3.6
87.00890	3.2
88.98817	5.3
96.95986	0.9
98.21741	1.9
98.73696	0.7
102.19287	0.8
103.00418	2.3
103.01505	74.1
116.92877	1.8
166.24799	0.8
417.25058	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26585	0.5
57.03424	0.9
58.00587	0.6
59.01381	4.3
61.98800	1.2
67.34688	0.2
71.01388	3.8
71.32470	0.4
72.99328	0.5
73.02920	1.0
80.02669	1.1
80.19607	0.2
81.03436	1.0
82.95421	0.6
83.01384	0.6
83.01862	0.3
83.05037	4.5
84.02146	0.9
85.00442	0.3
85.02950	0.9
87.00882	0.8
88.98804	0.7
89.02448	2.6
91.04015	0.3
93.03465	0.5
95.05012	0.7
96.95995	0.5
97.02973	0.4
97.06579	0.4
101.02450	3.5
109.02956	0.5
110.49272	0.3
112.98547	0.3
113.02485	2.0
116.92876	1.3
119.03504	0.9
123.04575	0.4
123.08150	0.3
125.02457	1.4
125.09740	3.8
127.11313	4.6
128.11674	0.3
133.05096	0.4
135.08150	0.6
135.11751	0.4
135.57547	0.3
137.02521	0.3
137.09708	0.8
139.11351	0.4
145.05066	0.3
149.04512	0.4
153.09183	0.3
155.10812	2.0
161.04608	1.5
163.11320	3.2
165.09230	1.9
165.12897	2.1
171.10278	3.1
175.04002	0.3
179.03577	0.3
179.05653	0.7
179.10796	1.8
181.12405	0.5
183.10242	0.8
187.09805	0.3
191.05649	1.0
191.10788	0.5
199.09824	1.5
201.11340	100.0
202.11697	4.8
209.11850	94.6
210.12192	4.6
221.11845	0.5
223.09776	0.6
227.12903	12.0
228.13260	0.8
229.14447	0.3
235.08229	4.8
239.12909	0.9
253.09305	18.0
254.09656	0.6
289.07248	0.6
365.23438	0.4
375.21793	2.1
376.22247	0.3
393.22925	1.7
401.21295	0.3
405.17639	0.5
411.24088	1.0
419.19333	0.5
437.20404	1.8
445.21005	1.0
559.63995	0.3
611.31451	0.4
629.31921	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23286	0.4
57.03454	4.9
59.01378	1.4
61.98826	1.1
66.71217	0.3
69.08051	0.8
69.08471	2.7
71.01363	0.7
85.02950	0.7
89.02483	0.3
99.92597	0.6
101.02435	0.5
113.02443	1.0
113.33545	0.3
116.92862	0.7
157.22560	0.3
177.46492	0.4
210.91023	0.4
215.09636	0.3
224.77728	0.3
225.00732	0.3
273.16467	0.3
285.18863	0.4
383.29660	0.8
423.32635	4.7
424.32919	0.4
441.33765	19.5
442.33994	2.9
449.30627	0.9
467.31750	6.9
468.31827	1.0
485.32739	100.0
486.33075	15.7
509.32693	0.8
527.33618	1.7
565.78088	0.4
635.32568	0.3
647.21759	0.4
647.37946	9.5
648.38800	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74650	0.6
59.01375	1.5
61.98824	3.1
62.59103	0.6
69.53964	4.3
71.01379	0.8
78.31491	0.6
85.02954	9.7
90.89960	0.6
96.95978	0.8
113.02457	1.9
116.92863	2.8
160.84218	3.2
308.39316	0.8
337.05493	0.7
377.37918	0.7
381.27792	0.7
399.29047	5.9
400.29391	0.8
423.32761	2.1
441.33853	5.3
467.31595	9.6
468.32269	1.7
481.33847	0.9
485.32761	100.0
486.33105	13.5
527.33899	3.3
647.38220	4.0
648.19183	1.4
648.38452	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.2
71.01382	0.2
71.32264	0.2
80.59330	0.1
99.04539	1.2
113.02454	0.2
125.02409	0.1
178.89262	0.1
187.93216	0.1
211.44052	0.1
324.78015	0.1
383.29623	0.3
385.27557	0.5
390.95755	0.2
397.34891	0.3
405.31921	0.2
407.29776	0.3
423.32724	5.0
424.33246	0.5
425.30469	0.2
441.33844	3.3
442.33908	0.3
449.30585	0.6
467.31702	1.1
468.31561	0.3
485.32758	100.0
486.33118	14.3
527.33673	0.3
545.13458	0.2
647.37811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3806
Annotation	3-O-beta-D-Glucopyranosyl quinovic acid
Peak:m/z	Relative Intensity
51.72007	0.3
52.18668	0.4
59.01365	1.7
61.89309	0.3
61.98819	1.7
65.17624	0.4
69.01495	0.4
73.02969	0.5
75.00880	2.6
88.37762	0.4
89.02449	0.4
99.92601	1.3
113.02470	0.9
116.92876	15.4
117.01928	1.8
117.92893	1.0
125.02466	0.9
157.54483	0.5
276.85861	0.4
361.79797	0.4
365.28519	0.4
383.52396	0.4
397.34619	0.6
423.32755	11.3
424.33096	1.7
441.33777	14.1
442.34140	1.6
449.30463	0.7
467.31677	4.8
468.32095	0.4
485.32758	100.0
486.33127	15.3
527.33643	1.7
528.34076	0.5
647.38062	10.3
648.38367	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.2
71.01382	0.2
71.32264	0.2
80.59330	0.1
99.04539	1.2
113.02454	0.2
125.02409	0.1
178.89262	0.1
187.93216	0.1
211.44052	0.1
324.78015	0.1
383.29623	0.3
385.27557	0.5
390.95755	0.2
397.34891	0.3
405.31921	0.2
407.29776	0.3
423.32724	5.0
424.33246	0.5
425.30469	0.2
441.33844	3.3
442.33908	0.3
449.30585	0.6
467.31702	1.1
468.31561	0.3
485.32758	100.0
486.33118	14.3
527.33673	0.3
545.13458	0.2
647.37811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.4
57.03443	3.9
59.01384	18.5
61.98555	1.6
61.98833	18.0
68.73228	1.3
69.03472	1.6
69.45672	8.5
71.01386	28.8
72.99305	1.9
73.02944	19.6
75.00871	1.4
78.95904	1.2
83.01389	5.8
83.05035	21.8
85.02955	15.9
85.06597	3.3
87.00880	2.5
88.98812	3.2
89.02438	5.0
93.03454	1.3
95.01380	1.4
96.96001	4.3
97.02934	1.7
97.06582	1.9
98.21766	2.1
99.00876	4.4
99.04514	3.8
101.02451	28.8
101.06075	10.4
103.01489	2.9
111.00891	3.0
111.04519	22.3
113.02455	9.9
113.09716	7.3
115.03986	1.4
116.92837	8.0
123.08234	1.9
125.02451	3.0
126.90378	1.6
127.04012	20.2
130.25742	1.2
131.03525	1.3
137.02441	1.5
138.03290	1.3
139.07599	2.1
141.09222	100.0
142.09532	4.1
149.06097	2.5
159.02957	3.0
161.04553	15.5
167.07150	8.4
171.10223	1.5
173.04599	1.3
191.05655	5.1
192.22333	1.3
201.11339	3.9
209.11856	5.0
220.04956	1.2
281.98239	1.4
299.25772	1.3
355.28531	3.2
455.22995	1.7
461.31116	14.9
462.31628	1.5
517.33881	36.4
518.33954	5.0
518.62488	1.3
540.88733	1.2
573.24829	1.4
580.35919	1.6
585.39789	2.7
603.41150	17.2
604.41534	3.2
625.69318	1.4
629.39093	41.1
630.39673	7.8
647.31262	1.6
647.40167	18.2
648.39825	4.2
656.47919	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92737	0.2
59.01373	0.4
61.98818	0.7
66.04828	0.2
66.11763	0.2
70.35202	0.2
71.53362	0.2
72.00725	0.2
75.00864	0.6
84.65643	0.3
96.96012	0.2
98.22501	0.4
99.92589	10.4
100.92620	0.4
114.93427	1.0
115.00391	0.2
116.92867	100.0
117.01971	0.3
117.92881	4.9
151.82390	0.2
152.45601	0.3
295.06647	0.2
493.71176	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19699	1.2
57.03443	9.1
59.01383	8.8
61.98833	12.6
68.73431	1.3
71.01389	2.5
78.95915	1.3
82.01488	1.2
85.02963	21.6
87.00873	1.3
88.98774	1.5
101.02440	2.5
103.01507	3.5
111.05013	1.5
116.92886	2.7
121.02966	100.0
122.03279	3.4
125.02451	1.6
129.01949	35.7
143.71977	1.5
146.03575	1.4
166.08557	1.4
174.06465	1.3
179.05676	1.6
209.11836	1.3
229.59918	1.4
245.08243	2.1
328.48840	2.1
349.07117	1.8
349.10974	1.9
367.08344	3.2
419.10895	2.2
436.11575	17.8
451.14017	70.9
452.14355	12.6
519.16626	6.8
520.16516	2.3
573.17749	2.5
601.13348	1.8
617.16779	2.2
631.18268	10.2
649.19000	13.7
649.38788	2.9
650.19617	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92604	0.5
59.01374	1.7
60.99311	16.7
69.91235	0.6
71.01393	1.2
71.31453	0.7
83.01369	0.8
87.00893	0.7
88.98814	100.0
89.02447	1.3
89.99165	1.6
93.03465	0.8
95.34554	0.5
96.96036	1.0
98.21990	0.6
101.02412	0.6
116.92855	2.7
125.02502	0.8
151.04024	0.7
153.50504	0.6
159.72066	0.5
180.45338	0.6
191.05632	3.5
201.11346	5.2
202.11725	3.3
203.11841	2.3
209.11847	4.7
210.12234	2.8
211.12321	0.6
228.13164	0.7
233.08597	0.8
253.09343	1.1
355.31393	0.7
559.22040	1.0
605.39606	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48905	0.3
53.30527	0.4
55.79987	0.3
59.01373	0.3
60.99311	14.0
61.98815	0.9
71.30700	0.6
72.99333	0.4
80.34830	0.3
83.72398	0.3
87.00883	0.9
88.39900	0.3
88.98813	100.0
89.02428	2.5
89.99146	0.9
93.79655	0.3
95.95705	0.3
96.96039	0.6
100.22148	0.3
100.22884	0.4
120.99694	0.7
125.02457	0.4
152.81670	0.3
204.53877	0.4
337.10745	0.4
364.00464	0.4
391.91156	0.4
426.19504	0.3
463.64935	0.4
551.78497	0.3
649.22021	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59609	0.3
57.03445	0.5
60.99311	15.8
61.98825	0.5
69.05254	2.3
70.58322	0.3
87.00885	1.1
88.00409	0.4
88.98814	100.0
89.02457	3.2
89.99161	1.2
96.96012	0.3
99.92576	0.4
107.34704	0.3
115.92101	0.7
116.92866	0.9
125.02460	0.3
165.01967	0.5
218.41991	0.3
224.34822	0.3
246.06726	0.3
356.53476	0.3
360.59671	0.3
374.97427	0.3
559.21753	0.5
570.95551	0.3
595.70111	0.3
649.14899	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2426
Annotation	Sophoraflavanone J
Peak:m/z	Relative Intensity
61.98814	21.8
68.36294	9.5
69.99487	26.6
69.99882	15.2
77.18237	9.6
80.75011	10.8
99.04543	36.9
139.86284	10.2
162.83871	14.3
218.30836	11.4
276.27252	12.4
325.53214	12.2
384.96207	11.8
516.89264	12.2
649.24170	100.0
650.24365	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40582	14.9
59.60470	16.0
61.98828	37.1
69.09888	31.3
69.10294	100.0
93.03437	37.9
99.04536	21.2
99.92578	22.0
121.02965	25.2
137.02431	69.4
138.70279	16.5
150.98779	18.5
251.50294	15.8
473.94113	17.7
539.53278	17.6
649.02808	29.7
650.04364	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98521	2.4
61.98835	41.4
69.03460	4.3
69.35120	2.4
69.35529	7.5
72.99316	13.1
75.00882	6.3
97.02370	2.8
97.02959	39.2
99.92618	1.5
116.92854	4.2
165.09218	1.6
227.09262	18.7
269.04385	1.5
471.20584	1.9
519.26172	9.0
529.24817	10.2
532.93884	1.6
547.25555	76.8
548.25928	10.8
564.91223	1.5
589.26569	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01709	1.0
61.98835	1.9
66.71923	0.9
87.00876	1.3
107.15443	0.9
127.07649	1.0
454.67087	1.0
516.45929	1.2
547.25568	28.9
548.25787	4.9
577.11841	1.2
589.26227	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3963
Annotation	28-Glucosyl tormentate
Peak:m/z	Relative Intensity
52.34143	0.2
57.03451	4.2
59.01388	1.6
63.17235	0.2
68.85204	0.2
69.22912	1.3
71.01370	1.3
75.83143	0.2
85.02897	0.5
85.61717	0.2
89.02426	0.6
95.01337	0.2
101.02380	0.6
113.02471	1.2
116.92794	0.3
137.02440	0.3
155.97354	0.2
160.05605	0.2
161.04620	0.2
173.08035	0.2
199.26639	0.2
205.11884	0.2
276.82025	0.2
301.89801	0.2
332.50665	0.2
348.46872	0.2
349.05048	0.2
355.82715	0.2
383.33209	0.3
385.31119	0.9
408.74918	0.2
425.34299	1.9
426.34592	0.4
443.35306	23.4
444.35651	3.2
469.33255	6.1
470.33524	1.2
487.34311	100.0
488.34665	15.9
488.42062	0.3
488.49811	0.2
501.35812	0.7
511.34293	0.6
529.35419	2.4
530.35907	0.5
580.18805	0.2
649.39587	11.7
650.39874	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3963
Annotation	Quadranoside I
Peak:m/z	Relative Intensity
59.01373	1.4
60.78341	0.6
61.98833	1.2
71.01418	1.0
78.24564	0.8
89.60364	0.8
229.34016	0.9
240.18378	0.9
397.34814	2.6
399.02182	0.7
425.34055	1.2
437.98001	0.7
440.13248	0.8
441.33752	5.9
442.33908	0.9
443.35281	6.7
469.33292	4.8
487.34329	100.0
488.34714	15.2
506.28146	0.8
529.35315	5.5
530.36078	1.2
649.39594	23.1
650.39813	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	70.6
59.31055	23.0
60.99292	25.1
61.98827	37.4
71.79347	20.1
76.42805	19.2
88.98843	100.0
90.38728	22.3
105.76297	19.9
116.92870	43.3
245.70096	19.7
283.03238	20.8
306.34830	25.4
537.26807	30.6
548.26001	42.9
607.27771	52.8
650.27881	31.0
651.18555	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29497	11.2
59.01368	36.2
60.99309	16.5
61.98826	21.4
72.99289	17.8
75.00847	10.9
88.98808	100.0
89.02442	11.7
98.22022	62.8
106.11130	8.8
116.92917	16.6
173.04633	9.3
191.05641	23.8
209.11940	12.1
221.06857	10.4
292.22989	13.2
387.14688	12.3
388.14661	24.3
435.21179	12.0
565.26654	70.5
566.26819	14.5
610.30811	10.5
650.28235	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.0
58.00503	0.6
59.01373	2.8
59.99833	0.6
60.99308	1.0
61.98842	1.4
69.31897	3.1
69.32321	1.5
71.01358	1.3
73.02943	1.8
75.00865	0.7
83.05029	0.9
84.95133	1.3
85.00433	1.6
85.02974	1.3
87.00867	1.6
87.04533	5.2
88.98816	7.8
89.02462	2.6
98.21818	0.7
111.08041	0.6
113.02445	1.5
113.28226	0.8
116.92883	0.8
117.22981	0.7
145.66661	0.6
159.08084	0.8
191.63629	0.7
239.14365	0.6
241.16013	0.8
267.17627	0.8
269.13852	0.9
295.16953	2.0
307.17111	1.1
309.18420	1.1
309.28345	0.7
313.17993	1.2
339.19522	1.0
357.17191	0.7
365.21243	1.1
369.20804	0.8
383.22653	1.0
385.20233	1.9
387.21854	1.2
393.99719	0.6
401.19455	0.9
409.20288	1.4
419.24509	1.0
425.88647	0.7
427.21329	2.9
445.22247	4.8
445.83029	0.7
446.23257	0.7
463.23401	18.9
464.23904	2.2
485.24792	0.7
493.24115	0.8
537.26990	3.0
547.25549	2.1
565.26575	100.0
566.26849	14.2
566.34894	1.3
607.27350	1.6
650.28162	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.157
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02380	1.2
64.74079	0.6
65.00322	2.6
69.19203	4.1
69.19592	1.3
71.24594	0.6
77.29140	0.5
83.01385	1.8
94.51292	0.6
98.21825	1.2
100.14067	0.5
103.79505	0.5
107.01374	5.2
108.02167	2.2
109.02969	1.9
121.02952	2.6
124.01749	0.5
124.20876	0.5
125.02470	0.7
135.00873	1.4
139.03958	0.6
148.01677	2.9
150.99210	1.0
151.00383	16.7
159.04468	0.7
161.02455	0.5
163.00391	4.0
164.01128	1.7
169.01376	0.9
171.04558	0.6
178.99866	7.8
183.04503	0.7
187.04024	1.1
192.00661	0.6
198.03217	0.9
199.04002	1.7
201.01868	0.8
201.05573	0.9
203.03369	0.7
211.04005	1.7
215.03555	0.7
216.04234	1.1
226.02682	2.3
227.03479	5.3
229.05074	1.4
239.03581	0.8
243.02989	16.9
244.03461	1.2
245.04546	1.4
254.02316	2.9
255.03008	42.8
256.03372	3.0
271.02502	86.3
272.02979	7.3
273.03946	1.6
283.02484	1.3
299.02002	1.7
300.02771	100.0
301.03503	49.3
301.07190	0.8
302.03964	3.2
343.04568	1.2
347.72540	0.5
384.61615	0.6
469.87003	0.6
531.75940	0.6
609.14685	10.1
610.15436	1.0
651.15710	90.0
652.16040	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
60.51701	0.8
60.76540	0.9
63.02402	1.0
65.00328	1.6
68.96580	4.6
68.97009	4.6
69.05167	0.9
73.19759	0.9
104.11010	1.1
107.01431	3.6
108.02206	2.1
108.93085	1.0
109.02966	2.3
121.02989	2.2
125.02415	1.5
135.00931	1.1
143.99571	0.9
148.01762	1.7
151.00401	9.0
161.02437	1.0
163.00456	1.7
169.01509	1.6
178.99863	5.9
211.03999	1.3
215.03606	0.9
226.02708	1.6
227.03523	3.0
243.03000	12.2
245.04498	1.2
254.02333	2.9
255.03003	28.7
256.03384	1.1
259.84064	1.0
271.02502	64.7
272.02988	6.4
283.02533	1.4
299.02045	1.3
300.02780	100.0
301.03485	34.1
302.03818	1.2
310.66965	0.9
343.04343	1.3
451.10294	1.1
591.13409	2.5
591.20874	3.8
606.29871	1.1
609.14691	19.3
610.15234	2.0
651.15735	70.5
652.16058	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05167	0.4
51.34717	0.4
56.22307	0.4
59.01390	0.6
61.07686	0.4
61.98840	1.1
64.73335	0.4
69.13161	0.4
75.00865	1.3
75.61264	0.4
76.70989	0.4
78.52779	0.4
79.29359	0.4
99.92589	13.6
100.92603	0.7
102.02993	0.4
113.09644	0.5
116.92873	100.0
117.92897	8.5
118.92647	2.8
141.15796	0.5
148.05336	1.9
161.02393	0.5
163.07753	0.5
170.94383	0.4
235.07678	0.4
249.31178	0.5
270.19391	0.4
294.99789	0.4
320.48938	0.5
366.40628	0.5
455.14078	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24231	0.8
57.03452	1.8
59.01380	7.9
59.25787	0.9
61.98836	4.8
71.01370	1.0
71.31808	1.0
83.05036	10.5
87.00883	77.4
88.01204	1.3
96.96012	1.3
99.04539	2.1
103.01518	4.5
116.56808	0.9
116.92869	1.6
121.02968	18.7
127.04023	24.4
145.05075	45.1
146.05408	1.8
161.04539	1.1
180.09224	1.0
209.06078	1.2
209.11880	11.1
222.95799	1.0
223.13432	4.2
237.05675	1.5
241.08592	1.2
243.77657	0.9
254.05865	2.3
261.14963	1.7
264.04248	6.5
265.05127	11.0
267.06543	2.9
269.04529	1.6
269.08249	1.2
270.01343	1.2
272.79391	1.1
279.06674	2.0
281.04633	1.4
281.08124	1.2
283.06125	2.2
293.04504	8.4
294.05090	1.0
297.07736	5.1
307.06094	1.3
308.06808	3.5
309.07745	2.6
310.04733	1.2
311.05585	1.4
325.07162	9.9
326.07550	1.4
336.06531	1.3
337.06946	5.4
338.07895	1.9
339.08737	2.1
340.09387	1.8
351.08813	1.6
353.06656	15.4
354.07425	1.2
367.08368	1.4
368.09222	5.1
383.11389	100.0
384.11801	11.0
401.12521	1.4
505.15140	33.0
506.15549	5.8
651.34613	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74370	0.7
57.03439	1.9
59.01368	3.0
61.98832	3.8
69.03232	4.4
69.03657	2.4
71.01383	1.2
83.05035	11.3
87.00884	81.8
88.01220	0.9
98.02258	0.6
98.96808	0.7
99.04510	1.4
101.02415	1.1
103.01476	1.2
113.02437	1.2
121.02969	18.3
127.04023	25.1
145.05081	48.2
146.05402	1.0
161.89003	0.7
163.11267	0.9
171.10274	2.4
195.13898	0.9
205.12402	0.9
209.11826	13.2
210.12134	1.1
223.13403	9.3
225.05530	1.4
237.05560	1.2
238.06395	1.0
239.07224	1.9
241.01376	0.9
241.05069	1.2
253.05151	1.3
253.09003	1.8
254.05861	1.8
255.06680	1.9
261.14954	1.7
264.04282	5.2
265.05063	10.2
266.05731	1.8
267.06622	2.1
269.00980	0.7
269.04590	1.1
269.08240	1.1
270.01685	1.9
271.02234	0.9
279.06622	2.8
280.03958	1.1
280.07407	0.7
281.04608	0.8
281.07944	1.1
282.05328	2.0
283.06122	1.6
284.06760	0.9
293.04593	7.7
294.05197	1.1
295.06058	2.7
296.06995	1.0
297.07645	6.5
298.01190	0.7
307.06073	2.1
308.03799	0.7
308.06824	3.1
309.04367	1.0
309.07510	4.0
310.04837	2.2
310.08295	1.5
311.05817	1.3
323.05786	1.0
325.07196	11.6
326.07858	1.1
335.05344	0.9
336.06345	1.6
337.07370	3.8
337.10764	0.7
338.07672	0.9
339.08603	2.2
340.09280	1.0
341.10425	0.8
351.08594	1.8
353.06699	13.2
354.06985	1.2
368.09192	5.9
383.11380	100.0
384.11707	10.1
401.12488	2.1
415.14029	1.6
431.06180	1.6
459.22330	1.2
505.15118	30.4
506.15265	4.4
633.32361	1.1
651.24426	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00541	0.8
51.72977	0.8
55.01886	5.6
57.03450	6.5
58.00588	3.9
59.01384	74.5
59.83561	0.8
60.62677	0.9
61.98839	13.2
64.01945	0.8
68.99517	4.8
68.99922	2.7
71.01390	100.0
72.99310	8.4
73.02948	17.2
75.00891	1.1
75.80268	0.8
83.01390	10.0
84.95128	2.6
85.00448	11.7
85.02958	36.2
87.00886	5.5
88.98815	1.9
89.02454	63.1
95.01405	3.6
97.02963	1.9
99.00886	7.8
101.02451	52.0
103.01498	0.9
107.05041	0.9
111.00910	2.9
111.37300	0.9
113.02460	32.1
114.02827	0.9
116.92822	1.4
119.03511	18.7
120.99682	1.1
121.02963	3.1
123.04561	1.1
125.02431	4.5
129.01974	1.2
131.03505	10.9
134.03758	1.2
135.04524	1.4
137.02518	1.0
143.03516	3.6
145.06641	0.9
149.04573	5.5
151.03998	1.2
159.03047	6.9
161.04575	28.7
173.06114	3.1
174.06870	1.6
176.02174	0.8
177.05688	0.9
179.05609	4.1
191.05547	1.2
191.07210	1.8
198.68831	1.0
205.03490	0.9
237.04326	0.9
240.45753	0.9
279.10248	2.5
281.11798	3.6
307.09909	1.3
309.11331	8.9
357.13461	24.9
358.13901	3.2
418.49615	1.0
489.17847	5.7
507.22415	1.4
519.18738	21.8
519.26019	1.4
520.19232	2.9
575.21307	2.8
625.68567	0.9
651.23004	71.3
652.23230	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
62.92870	1.4
72.99302	5.3
75.00878	78.0
89.02515	1.4
98.21811	4.2
119.05032	7.3
143.48927	1.4
163.03998	14.4
179.07114	2.6
191.05621	5.9
207.10236	4.2
269.19891	1.5
313.12924	100.0
314.13370	6.9
337.09146	10.9
529.40271	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21718	2.2
57.03446	6.6
59.01367	13.5
63.20979	2.2
71.01384	10.5
81.03450	4.0
83.01397	6.5
89.02439	9.1
92.60648	2.1
95.05059	4.1
96.95999	4.4
97.02945	8.6
101.02436	5.8
109.02974	29.4
113.02431	3.0
119.03493	4.9
120.33135	2.5
121.02962	6.2
122.57144	2.3
123.04571	18.7
125.02449	27.9
137.02457	19.1
139.03978	5.6
143.03561	2.2
149.02448	5.7
151.04039	9.7
159.04517	6.7
161.02428	4.3
161.06062	5.6
162.03162	2.6
164.01146	4.0
165.01941	6.2
167.03505	3.1
173.05991	3.3
175.04073	3.5
175.07591	2.9
177.02119	3.0
179.03490	5.7
187.04021	6.7
188.04794	5.3
189.05644	2.3
201.05684	5.4
203.07132	16.6
205.05032	8.8
217.05032	2.9
221.08195	2.7
227.35178	3.4
245.08264	17.7
259.06067	3.9
287.05643	8.3
289.07220	100.0
290.07559	8.3
361.15067	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
69.03458	0.8
71.01382	1.3
71.31895	1.1
74.35315	0.8
80.52207	0.9
96.99342	1.1
97.02890	1.0
117.00419	0.9
141.01718	61.1
149.06091	0.9
300.85519	0.9
472.75800	1.0
549.23389	1.5
591.24768	3.2
609.25519	2.7
651.26373	9.7
652.26764	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54093	0.7
57.03429	1.4
59.01384	37.4
62.39532	0.6
71.01392	16.0
71.43060	0.7
73.02954	4.3
83.01405	1.9
85.02954	8.8
87.00874	0.8
89.02422	4.3
95.01408	2.0
97.02976	0.7
99.00874	1.5
101.02450	9.1
103.00373	1.9
103.01495	5.2
108.75601	0.7
113.02464	14.2
113.87644	0.7
114.02767	0.6
119.03487	1.4
125.02475	0.7
143.03508	0.8
159.02980	1.5
161.04579	9.6
179.05673	1.1
187.09766	0.9
191.05621	2.4
249.14807	1.6
255.03093	0.7
267.16031	100.0
268.16425	6.8
271.02307	0.9
281.17575	1.7
300.02634	1.2
309.17102	7.7
411.20297	1.3
429.21317	62.7
430.21631	5.8
471.22427	14.9
472.22791	1.0
501.23218	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12317	0.7
57.03463	0.7
59.01385	100.0
61.98834	8.8
88.98833	1.6
103.04001	0.6
116.92861	1.4
119.34386	0.8
125.02470	1.5
137.55423	0.7
147.26855	0.7
272.87866	0.7
289.07516	0.8
447.24219	2.7
489.25122	2.7
529.27887	0.9
591.28784	1.0
626.38690	0.7
626.83209	0.7
635.62042	0.8
651.30389	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
61.98825	0.9
70.23186	0.4
71.01385	0.7
71.32109	0.7
80.02676	1.6
81.03453	1.7
83.01367	0.9
83.05022	5.8
84.02184	2.0
89.02451	0.6
93.03480	0.5
95.05031	0.7
101.02483	0.6
106.52197	0.4
125.06056	0.6
125.09758	0.8
131.03517	0.6
135.08142	0.7
140.60133	0.3
163.11314	4.2
165.12859	2.9
181.12186	0.6
191.10793	1.6
209.11841	100.0
210.12158	5.1
227.12904	34.4
228.13165	1.2
242.33144	0.4
302.35660	0.5
355.78912	0.4
651.36035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
67.50877	2.0
75.90039	1.9
94.63686	2.0
98.21721	4.0
197.02257	7.2
228.69432	2.5
231.52098	1.9
453.33768	100.0
454.33966	13.1
542.86029	2.1
651.35577	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.368
Annotation	Longithorol B
Peak:m/z	Relative Intensity
55.07909	7.8
69.43757	9.4
70.59606	7.8
72.11410	7.4
75.22697	7.5
79.09213	7.8
88.76199	7.9
99.04513	8.2
110.12399	8.3
114.69687	8.6
150.15094	8.6
183.42683	8.0
197.02223	25.1
256.39838	11.2
380.08771	8.6
451.32248	100.0
452.32703	14.1
453.33578	97.0
454.33826	15.9
651.36841	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	4.3
71.29056	4.3
71.29433	4.4
74.60313	3.0
77.82436	3.2
99.04526	100.0
112.86814	3.2
119.07357	3.8
144.50000	3.3
192.58614	3.3
193.77930	3.7
216.77371	4.3
228.67191	4.4
490.94400	4.0
548.15649	4.1
558.28522	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
61.98833	100.0
64.16006	0.3
68.98511	2.5
78.95989	0.3
89.15752	0.3
92.24095	0.4
102.70869	0.4
160.84230	5.8
192.85400	0.4
199.00507	0.3
608.71442	0.5
652.08093	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31667	3.6
57.03473	3.9
59.01374	18.3
61.98835	100.0
62.75568	3.5
69.72549	3.5
71.01395	13.4
71.31436	4.1
78.95919	8.0
83.05024	4.0
85.02966	4.1
88.98766	3.3
89.02460	5.1
93.03486	6.8
99.00933	3.7
101.02472	8.7
109.06607	14.0
113.02467	8.7
116.92875	13.8
117.92861	3.6
119.03586	4.0
121.02921	3.3
125.09715	7.9
137.02509	4.0
146.61452	3.8
150.06822	4.8
163.11304	9.7
164.24542	3.9
165.40179	3.2
171.10316	14.0
185.11810	4.9
191.05640	12.7
207.10272	31.8
209.11819	53.9
213.09084	3.2
217.12405	6.9
221.11856	3.7
223.09959	3.7
225.11368	13.4
232.71280	3.6
235.08217	5.0
235.13396	4.9
245.11856	9.4
249.11493	4.2
253.09251	5.1
263.12851	8.7
298.87158	3.7
399.21869	14.3
417.22919	10.3
432.17838	4.8
447.20407	18.6
490.32843	4.1
491.33911	11.0
567.18127	4.0
634.31036	5.1
635.30701	31.1
652.30536	6.5
653.31830	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31667	3.6
57.03473	3.9
59.01374	18.3
61.98835	100.0
62.75568	3.5
69.72549	3.5
71.01395	13.4
71.31436	4.1
78.95919	8.0
83.05024	4.0
85.02966	4.1
88.98766	3.3
89.02460	5.1
93.03486	6.8
99.00933	3.7
101.02472	8.7
109.06607	14.0
113.02467	8.7
116.92875	13.8
117.92861	3.6
119.03586	4.0
121.02921	3.3
125.09715	7.9
137.02509	4.0
146.61452	3.8
150.06822	4.8
163.11304	9.7
164.24542	3.9
165.40179	3.2
171.10316	14.0
185.11810	4.9
191.05640	12.7
207.10272	31.8
209.11819	53.9
213.09084	3.2
217.12405	6.9
221.11856	3.7
223.09959	3.7
225.11368	13.4
232.71280	3.6
235.08217	5.0
235.13396	4.9
245.11856	9.4
249.11493	4.2
253.09251	5.1
263.12851	8.7
298.87158	3.7
399.21869	14.3
417.22919	10.3
432.17838	4.8
447.20407	18.6
490.32843	4.1
491.33911	11.0
567.18127	4.0
634.31036	5.1
635.30701	31.1
652.30536	6.5
653.31830	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51763	0.5
52.86982	0.5
53.69227	0.5
59.01377	1.9
60.99312	15.6
61.98825	1.8
62.34896	0.6
64.35884	0.6
71.01371	0.9
80.68741	0.5
84.88724	0.6
85.97700	0.6
88.98814	100.0
89.02440	0.8
89.99187	0.8
112.91977	0.6
133.80316	0.6
201.30069	0.5
227.03574	2.2
230.53152	0.9
255.03044	4.0
256.03622	0.8
284.00177	0.9
284.03281	8.3
285.04047	1.2
287.02206	0.6
301.03210	0.6
302.03085	0.6
315.01575	1.0
324.50293	0.5
329.03180	1.2
330.03802	2.2
345.06329	2.5
442.36722	0.6
563.14191	10.7
564.14667	1.4
653.16919	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.9
60.33527	0.5
60.99311	18.3
61.98822	0.9
78.95902	0.8
81.70323	0.5
88.98812	100.0
89.99149	0.6
93.03482	0.6
98.21806	1.2
119.03177	0.5
227.03534	2.1
255.02965	2.9
268.56604	0.4
271.02542	0.6
284.03290	6.4
285.03784	0.8
293.61188	0.6
299.01974	2.9
563.14063	8.0
564.15222	0.9
653.27533	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.5
61.98833	4.9
71.30730	1.3
95.03021	0.7
100.74576	0.7
107.01396	1.1
110.01652	0.8
151.00374	4.1
178.99873	1.2
191.05635	1.9
199.04065	0.9
202.02652	1.0
213.01941	1.3
214.02763	1.3
215.03508	1.1
229.01282	0.7
230.02206	7.9
231.02850	1.1
241.01472	4.9
242.02211	11.5
243.02884	4.4
245.00984	0.7
257.00891	2.2
258.01721	11.9
259.02472	5.4
262.71918	0.8
269.00958	2.5
270.01770	9.4
271.02499	6.9
272.03192	2.4
273.04068	9.3
274.01294	2.8
274.04532	1.3
285.03973	2.0
286.01218	11.5
287.01929	9.2
287.05579	2.2
288.02353	0.9
298.01205	3.6
299.01917	3.1
300.02646	1.2
301.03561	13.4
302.04089	1.9
314.00699	2.8
315.01526	19.7
315.04999	1.4
316.02072	1.7
316.05844	2.6
317.06720	2.1
329.03040	63.3
330.03738	23.8
331.04236	2.5
343.04681	1.0
344.01120	1.6
344.05392	39.0
345.06140	58.2
346.06339	4.8
653.17200	100.0
654.17700	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.173
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22919	0.7
56.49873	0.8
59.01387	2.2
60.16135	0.7
71.01385	1.3
76.82696	0.7
85.02956	3.9
87.00886	1.9
93.03464	3.0
93.97013	0.7
96.96011	1.0
109.02917	1.4
117.03345	0.8
119.05039	53.8
120.05357	1.6
125.02486	1.2
127.04030	1.6
135.04565	1.0
145.02933	1.0
151.00426	1.0
153.01927	3.6
155.03482	3.2
163.04033	100.0
164.04344	4.6
173.04564	7.4
175.03995	1.6
185.02255	1.3
191.05638	41.8
192.06061	1.4
212.61186	0.9
229.01079	1.2
239.58876	0.9
261.95206	0.9
289.07251	1.5
293.12576	1.3
337.09314	45.6
338.09564	5.3
359.07553	6.2
425.13773	0.9
653.16980	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.173
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22919	0.7
56.49873	0.8
59.01387	2.2
60.16135	0.7
71.01385	1.3
76.82696	0.7
85.02956	3.9
87.00886	1.9
93.03464	3.0
93.97013	0.7
96.96011	1.0
109.02917	1.4
117.03345	0.8
119.05039	53.8
120.05357	1.6
125.02486	1.2
127.04030	1.6
135.04565	1.0
145.02933	1.0
151.00426	1.0
153.01927	3.6
155.03482	3.2
163.04033	100.0
164.04344	4.6
173.04564	7.4
175.03995	1.6
185.02255	1.3
191.05638	41.8
192.06061	1.4
212.61186	0.9
229.01079	1.2
239.58876	0.9
261.95206	0.9
289.07251	1.5
293.12576	1.3
337.09314	45.6
338.09564	5.3
359.07553	6.2
425.13773	0.9
653.16980	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81977	11.5
55.29387	12.4
59.05812	16.2
61.98821	13.7
69.07504	100.0
78.95882	21.5
94.15862	11.8
98.21767	24.9
99.04513	20.7
111.50123	11.5
121.02956	32.1
152.99634	15.2
183.01079	13.3
595.28613	16.3
684.98364	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13976	10.1
55.03312	9.5
55.69400	9.9
58.13607	9.5
59.80062	8.9
69.00719	100.0
72.70367	9.5
94.95514	10.7
119.26653	12.4
140.74980	10.0
244.16347	10.9
249.78616	12.5
351.48535	11.3
376.76028	12.2
400.25482	12.0
499.39975	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.1
61.98826	4.5
68.80750	1.0
71.01376	1.8
71.05027	32.2
71.31873	1.4
71.32220	1.1
71.37028	1.2
83.05044	2.2
87.00870	1.1
88.63548	1.2
90.17209	1.1
101.06068	6.8
121.02977	13.7
122.03308	1.2
141.01814	1.7
147.06653	67.0
148.06969	3.1
157.86343	1.4
207.10214	1.3
209.11848	4.3
216.08398	1.1
225.11287	1.3
243.02698	1.3
249.05621	1.2
251.07104	1.5
254.05725	1.9
255.06589	2.3
263.07382	1.7
264.04309	4.6
265.05084	9.6
266.05829	1.4
267.06729	1.8
269.04593	1.4
271.02591	4.9
277.04752	1.1
279.06573	3.7
280.07486	1.3
281.04721	1.2
282.05441	1.4
283.06110	1.4
292.03754	1.9
293.04614	7.1
295.06058	2.5
296.06766	1.9
297.07684	5.9
305.08203	9.7
307.06082	4.1
308.06845	3.4
309.07690	3.1
310.04810	1.6
310.08115	1.6
311.05740	2.8
311.09116	1.1
321.07657	1.8
323.09274	9.3
325.07169	12.6
326.07465	2.2
335.05533	1.9
336.06451	1.8
337.07132	2.6
339.08585	1.9
340.09543	2.1
343.08301	1.6
350.08112	2.1
353.06650	17.5
353.10501	2.1
354.07422	3.4
355.08286	3.6
365.10379	2.1
368.08987	7.3
369.09625	2.6
371.07840	1.4
383.11395	62.0
384.11771	7.1
401.12445	100.0
402.12793	11.5
505.14996	24.8
506.15433	3.8
523.16028	10.4
524.16284	1.4
635.30560	2.2
653.32385	5.7
653.43726	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59767	1.5
59.01377	3.6
61.98833	8.7
69.51083	10.8
70.59566	1.7
71.05030	62.0
75.82168	1.8
83.05029	3.7
85.56681	1.7
88.72787	1.7
98.22546	3.1
99.04520	2.3
101.06087	11.4
121.02976	18.8
124.58916	1.7
129.05592	3.3
147.06653	100.0
148.06972	3.8
150.06819	3.1
209.11880	3.2
264.04211	3.4
265.05115	9.8
265.08459	1.5
267.06546	2.5
269.04669	1.7
271.02316	2.7
279.06558	3.5
281.07858	1.8
283.05936	2.5
293.04602	9.5
295.06030	3.0
296.06866	1.7
297.07657	4.5
308.06805	4.5
309.04129	2.2
309.07526	4.4
310.04916	2.9
311.05670	2.3
323.05511	2.1
325.07190	12.9
326.07767	2.5
336.06262	3.0
337.07144	3.5
351.08966	2.3
353.06696	19.4
368.08948	9.1
369.09897	3.2
383.11383	94.9
384.11877	10.1
384.65756	1.8
401.12439	26.3
491.33908	2.1
505.15097	35.0
506.15359	6.6
512.26532	1.7
523.16492	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.0
59.01388	2.8
71.01389	2.6
78.95918	3.6
81.03483	2.2
83.01389	3.2
85.02982	2.4
89.02475	1.7
93.03451	1.7
95.01409	1.5
95.05054	3.4
96.96014	13.8
96.96972	3.9
97.02946	7.6
101.02435	1.2
109.02963	23.0
113.02477	1.1
121.02949	3.2
123.04539	15.4
125.02448	17.8
135.04512	4.7
137.02470	12.2
138.03017	1.2
139.04004	3.1
149.02446	2.9
150.03162	1.4
151.04041	8.2
159.04579	2.0
160.05293	1.7
161.04793	1.3
161.06093	4.1
164.01146	3.6
165.01909	4.8
167.03552	1.2
173.06035	1.6
175.03960	1.9
175.07582	1.6
177.02039	2.1
177.05632	1.1
179.03514	9.6
187.04047	3.1
188.04782	3.5
189.01701	1.2
191.05653	1.3
201.01724	2.9
202.06448	1.6
203.07164	13.9
205.05049	8.0
212.39494	1.1
221.08215	2.4
227.07121	2.8
245.08188	16.3
246.08658	1.2
247.06018	1.8
251.05592	1.4
289.07205	100.0
290.07513	9.3
293.12433	1.0
315.12225	1.7
316.29581	0.9
363.06979	3.6
363.16620	4.7
461.10516	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.0
59.01388	2.8
71.01389	2.6
78.95918	3.6
81.03483	2.2
83.01389	3.2
85.02982	2.4
89.02475	1.7
93.03451	1.7
95.01409	1.5
95.05054	3.4
96.96014	13.8
96.96972	3.9
97.02946	7.6
101.02435	1.2
109.02963	23.0
113.02477	1.1
121.02949	3.2
123.04539	15.4
125.02448	17.8
135.04512	4.7
137.02470	12.2
138.03017	1.2
139.04004	3.1
149.02446	2.9
150.03162	1.4
151.04041	8.2
159.04579	2.0
160.05293	1.7
161.04793	1.3
161.06093	4.1
164.01146	3.6
165.01909	4.8
167.03552	1.2
173.06035	1.6
175.03960	1.9
175.07582	1.6
177.02039	2.1
177.05632	1.1
179.03514	9.6
187.04047	3.1
188.04782	3.5
189.01701	1.2
191.05653	1.3
201.01724	2.9
202.06448	1.6
203.07164	13.9
205.05049	8.0
212.39494	1.1
221.08215	2.4
227.07121	2.8
245.08188	16.3
246.08658	1.2
247.06018	1.8
251.05592	1.4
289.07205	100.0
290.07513	9.3
293.12433	1.0
315.12225	1.7
316.29581	0.9
363.06979	3.6
363.16620	4.7
461.10516	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89999	1.0
59.01386	19.9
61.98837	7.9
69.21132	2.1
69.21537	5.8
71.01383	13.0
72.99333	1.2
73.02951	1.7
81.03474	1.3
83.01390	2.8
83.05021	1.7
85.02963	3.2
87.00910	1.5
89.02454	8.2
95.05056	1.4
97.02984	2.1
97.06636	1.2
98.22125	4.3
99.00902	1.8
101.02448	9.5
109.06596	4.2
113.02450	6.6
119.03529	2.5
121.06690	1.0
125.09756	2.8
130.35881	1.2
131.64952	1.0
135.08206	1.8
161.04552	1.8
162.06825	1.1
163.11301	5.2
171.10301	6.7
175.11296	1.0
177.04019	1.0
181.12338	2.2
183.10172	1.3
185.11835	3.1
189.09309	1.0
203.14307	1.2
207.10260	15.3
209.11844	34.2
210.12148	2.2
217.12239	2.2
225.11331	18.0
231.10046	1.2
235.08315	1.7
241.75551	1.1
245.11884	1.6
245.59579	1.1
247.13474	1.5
253.09305	2.4
257.75598	1.0
263.12970	3.4
275.20218	1.7
277.21863	2.0
293.21210	1.2
337.21503	1.1
355.22766	1.9
373.23801	2.3
391.24927	2.5
399.21948	3.4
417.22845	6.2
435.23846	3.3
437.25592	2.3
455.26523	100.0
456.26779	13.7
461.20309	3.8
491.33768	1.2
497.51880	1.1
556.68689	1.1
609.32288	1.5
635.30878	10.8
636.31409	1.5
653.31519	30.9
654.31738	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79119	0.8
57.03441	2.5
59.01379	3.8
60.99306	1.1
61.98837	8.7
69.03455	1.1
71.01395	2.2
72.99300	1.0
73.02943	1.7
78.34436	0.8
80.79891	0.8
85.02969	1.7
87.00894	2.7
88.91525	0.8
88.98827	8.4
93.03467	0.9
98.21972	1.1
101.02499	0.9
109.06610	1.3
111.08162	1.0
113.02467	1.2
127.11322	1.6
135.04488	2.1
136.05315	49.2
137.05742	0.9
149.06126	8.7
150.06900	1.7
162.06847	5.9
163.07677	1.5
170.72768	0.9
171.10204	4.3
184.11066	1.1
191.05739	1.4
201.11391	1.0
207.10327	2.4
209.11853	3.2
225.11336	2.6
257.14029	1.3
276.95822	1.1
279.56119	1.1
289.18201	3.8
296.54800	1.2
353.23065	1.1
399.21991	1.2
409.27896	1.4
430.27380	1.2
445.24442	1.1
445.29498	6.5
460.34961	0.8
471.17856	0.9
473.29657	1.0
490.29715	2.3
491.30151	25.7
492.30405	4.5
540.81763	1.0
566.13336	1.0
635.31458	1.7
653.35474	100.0
654.35730	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
57.03440	1.3
58.00583	3.0
59.01384	41.9
61.98826	3.1
66.27564	1.1
69.03443	1.2
71.01387	41.2
72.99304	3.5
73.02950	4.4
78.95902	6.7
83.01396	4.8
85.02957	8.2
87.00880	10.2
89.02452	30.6
95.01388	3.2
96.97009	1.0
97.02969	7.5
98.21790	2.1
99.00916	1.6
101.02452	29.6
111.04530	1.4
113.02453	16.3
119.03501	11.6
125.02462	12.8
131.03572	2.4
143.03500	5.9
149.04422	1.3
152.99632	6.5
157.05133	1.2
161.04562	7.2
179.05629	6.4
221.06665	1.7
223.00227	1.5
235.08237	13.5
239.62207	1.0
241.01190	2.0
253.09230	3.2
255.23317	100.0
256.23712	7.9
263.07822	1.9
279.23196	5.8
287.07806	3.5
305.08884	4.0
322.24194	1.1
379.12671	1.4
397.13541	85.5
398.13742	6.8
415.14615	31.5
415.20200	1.4
416.15005	1.8
444.14383	1.2
595.29144	11.8
596.29053	2.3
653.77020	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.376
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	3.2
59.01092	2.5
59.01383	46.0
59.31014	1.3
61.55062	1.2
61.98815	1.5
66.79324	1.1
66.83045	1.1
67.95472	1.3
69.03449	2.2
70.48457	2.2
70.48801	1.6
71.01385	46.3
72.99301	3.1
73.02950	6.0
77.46689	1.0
81.03477	1.4
83.01401	4.7
84.24078	1.2
85.02968	8.2
87.00880	11.2
89.02449	35.6
95.01364	3.1
97.02946	6.9
99.00892	1.9
101.01820	2.5
101.02449	33.6
113.02455	18.9
115.04035	1.4
119.03508	13.7
125.02463	14.4
141.01985	1.3
143.03505	5.3
161.04562	8.8
162.83955	3.4
179.05614	7.9
183.27280	1.3
202.84200	1.4
221.06673	2.0
235.08258	14.9
253.09259	3.9
255.23311	100.0
256.23630	9.5
263.07785	2.4
277.10083	1.5
287.07709	4.1
305.08817	4.9
323.09814	2.2
397.13519	96.9
398.14035	7.6
415.14615	37.9
416.15024	2.6
528.93469	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.9
61.98816	18.2
65.22816	6.9
68.97724	6.1
68.97997	62.0
82.65392	6.1
98.21761	13.1
108.90186	10.5
120.07887	5.9
123.98514	6.0
147.06610	11.9
190.55614	6.3
362.03647	7.1
383.11111	8.4
511.54056	6.1
653.44147	100.0
654.44153	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18707	40.9
60.75914	49.4
61.98842	80.1
70.33012	51.7
70.53388	44.8
80.08268	44.4
93.03471	45.0
99.04514	77.1
137.02443	100.0
138.02821	52.6
217.23634	43.8
331.34979	47.9
605.10669	50.2
664.08972	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21502	22.2
59.01379	92.0
61.98835	88.5
64.16854	23.0
70.19415	100.0
78.71085	27.4
86.73282	30.9
103.01548	36.3
117.07076	24.4
142.89134	24.6
210.29930	32.1
276.96817	27.5
533.22607	24.8
533.97565	25.0
544.85596	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62973	10.1
58.88608	9.1
59.01373	8.6
61.98832	8.2
69.06882	84.3
69.07275	20.4
81.71844	9.3
87.06966	8.6
99.04530	29.9
112.36702	8.0
115.04018	10.3
119.03530	8.4
124.82522	8.9
125.87346	10.6
155.69441	10.7
157.86241	17.7
160.84218	100.0
207.10249	21.9
209.11804	34.0
211.13367	27.7
273.41110	9.3
290.80310	9.6
566.13257	13.8
654.10333	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39246	2.0
57.21020	2.1
59.01389	12.0
61.98840	12.2
69.03442	2.9
69.04570	5.6
69.04988	15.5
71.01360	5.0
79.45917	2.4
81.03476	3.7
85.02975	2.1
89.02384	2.8
91.28555	2.2
95.05027	8.6
97.02952	9.7
99.04530	100.0
107.05000	2.7
109.02953	3.9
109.06598	6.0
117.98849	3.0
122.03762	6.6
135.04590	2.9
137.06100	46.9
138.06476	2.8
139.04031	4.6
144.00401	2.6
147.08191	4.2
159.04575	3.9
163.07646	5.5
163.11279	4.1
171.08228	2.6
173.06143	2.5
175.11253	3.2
189.09221	9.5
191.10744	4.4
207.10329	14.6
209.11787	13.3
211.13361	16.9
219.06668	2.4
219.10361	3.8
225.11345	10.6
229.12479	2.7
235.08022	3.1
245.11937	4.4
247.13336	4.3
253.09207	3.5
288.56616	2.4
301.14294	2.6
311.12860	7.4
329.14001	12.5
330.14511	5.4
356.12808	4.2
363.19641	5.3
405.20657	7.6
407.18640	26.6
408.18832	3.0
431.19019	3.0
449.19522	12.7
451.17380	5.9
461.20435	2.8
467.20679	8.5
493.18546	6.6
494.18631	2.8
511.19803	12.4
637.32043	10.3
654.32611	4.3
655.33276	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20412	1.1
57.02192	1.1
57.03445	2.6
59.01379	8.0
61.98821	2.0
65.03941	1.1
67.35631	1.0
69.03455	1.6
71.17734	1.3
71.30992	1.3
71.31366	1.5
81.03478	3.3
83.01424	1.3
85.02964	1.7
93.03471	1.8
93.72690	1.1
95.05034	5.6
97.02971	9.6
99.04530	100.0
100.04865	1.2
103.56068	1.0
103.65257	1.1
107.05009	1.4
109.02967	3.1
109.06581	2.9
111.04561	1.9
119.05014	1.1
119.08727	1.5
121.06631	2.8
122.03745	5.3
123.04535	1.2
135.04552	2.1
137.06096	40.4
141.25151	1.1
145.02940	1.6
145.64319	1.2
147.08160	2.5
148.05273	1.5
149.09671	1.9
158.84727	1.3
160.84250	15.4
161.05980	1.3
163.02812	2.1
163.07654	6.2
169.12344	1.6
173.09712	2.5
175.07646	2.9
175.11316	2.6
177.05634	1.2
177.09207	1.6
177.84575	1.3
187.07625	1.5
189.09273	5.6
191.10765	4.0
199.07652	1.2
201.09250	1.6
205.12361	1.2
207.10236	2.9
209.11916	3.5
211.07521	1.5
211.13399	3.9
215.07222	1.4
215.10591	1.2
219.06619	2.5
219.10207	2.3
220.06140	3.9
225.11270	2.4
229.08673	1.4
229.12337	1.7
231.10182	1.6
243.10228	1.3
245.11890	2.4
247.13477	2.5
259.13358	2.8
265.12231	2.1
269.11774	1.4
285.14957	2.0
293.11841	2.4
294.12357	1.3
301.14502	2.3
309.14972	1.3
311.12860	7.6
312.13431	2.8
318.09836	3.0
329.13956	13.3
330.14459	3.2
351.15933	4.3
356.12680	2.8
363.19760	5.2
369.17020	3.0
373.12915	2.8
374.13721	2.8
379.22983	1.5
387.19168	1.3
395.15192	2.0
405.20819	5.8
407.18668	25.0
408.18939	3.3
423.22168	2.8
431.18680	6.4
432.19290	1.6
449.19754	16.9
450.19974	2.7
451.17679	4.3
452.18515	1.4
467.20880	8.1
469.18829	2.0
493.18619	8.4
494.19083	1.5
511.19891	14.1
512.20276	1.7
513.21509	2.2
566.55731	1.2
654.09741	1.9
655.33038	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73509	0.5
59.01387	3.6
61.98820	1.3
71.01373	2.1
71.02038	0.7
73.02917	0.6
76.50291	0.5
80.02676	0.8
81.03478	0.8
83.05035	2.3
85.02959	0.7
89.02439	1.2
95.01352	0.5
95.05033	1.6
97.02984	2.2
99.04529	25.2
100.04815	0.7
101.02454	1.8
109.02972	1.2
109.06589	1.1
113.02457	0.9
119.03484	0.6
119.08652	0.7
122.03779	1.2
124.01690	0.6
125.87329	0.6
135.04507	0.5
135.08165	0.9
137.06091	9.2
147.04596	0.5
147.08212	0.7
149.06062	0.7
158.84639	0.5
160.84233	1.0
161.04640	1.1
161.05957	0.7
163.07649	1.6
163.11290	1.4
165.12903	1.1
168.24734	0.5
173.09705	0.6
175.07683	0.7
179.10634	0.5
189.09251	1.5
191.10767	1.1
203.10603	0.5
207.10295	0.8
209.11841	100.0
211.13368	1.7
220.06181	1.5
225.11359	1.5
227.12885	4.7
235.08118	4.1
242.29713	0.5
247.13347	0.6
251.10812	0.7
253.09268	3.7
280.71231	0.5
283.13327	0.6
285.14841	0.6
293.11890	0.7
299.12793	0.7
305.15164	0.5
309.14954	0.6
311.12921	3.0
312.13623	0.8
318.09775	1.0
329.13879	4.4
351.16293	0.7
363.19763	1.8
369.17001	0.6
374.13556	1.2
379.22800	0.7
405.20715	1.9
407.18646	8.0
408.18945	0.8
423.21927	0.8
431.18774	1.3
445.20975	0.7
449.19766	5.3
450.20248	1.0
451.17770	1.4
467.20920	1.8
493.18814	3.0
493.35376	1.4
511.19870	4.8
512.20197	1.0
637.31934	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09771	22.4
52.78639	21.8
54.21159	19.1
61.30491	21.6
61.98831	73.7
66.55623	18.9
69.22580	24.4
98.21803	45.6
99.04516	100.0
102.66016	21.0
118.16664	20.2
211.01418	24.9
344.72052	25.2
418.11279	28.1
487.64465	26.7
640.35437	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81829	2.6
59.01371	4.9
61.99707	2.8
69.69878	5.4
69.70264	4.8
77.73342	2.5
81.03464	4.1
95.05043	6.0
97.02966	7.2
98.22658	2.5
99.04524	100.0
100.04877	3.1
101.98771	2.4
109.02963	4.0
111.13095	3.2
122.03774	4.9
137.06091	44.9
147.04549	2.8
163.07722	6.6
170.56042	2.3
171.08179	3.1
173.09726	4.5
175.11324	3.0
177.09256	4.1
189.09270	8.0
191.10765	3.1
258.63733	2.9
269.12085	3.6
311.12891	7.7
327.12521	3.7
329.14078	10.7
363.19699	5.4
369.17047	3.3
407.18610	27.5
408.19333	3.7
431.18893	4.6
449.19843	14.0
451.18036	6.3
459.18143	2.7
467.20862	5.4
493.18851	4.8
511.19818	12.0
604.66864	2.9
619.36627	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.3
61.98833	100.0
69.58070	0.4
69.58485	0.6
94.98137	0.2
125.02489	0.2
135.04623	0.2
136.05350	0.4
170.96623	0.2
209.11865	2.0
267.62555	0.2
448.31693	0.4
484.22351	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98987	1.4
51.63148	1.2
51.87605	1.2
56.44207	1.2
60.99322	6.0
61.98817	5.0
70.63838	3.7
88.98811	25.6
94.18453	1.1
98.26586	1.3
119.21656	1.2
125.02425	1.4
129.95490	1.2
134.03795	1.6
151.00357	3.4
163.00336	1.9
176.41449	1.2
178.99837	4.3
179.80672	1.3
191.05653	1.8
227.03596	1.6
243.02971	6.8
254.02080	1.7
255.02985	20.0
271.02487	45.8
272.02881	4.0
300.02762	97.5
301.03232	8.4
397.14664	1.3
565.12000	100.0
566.12396	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99259	4.7
60.89172	5.9
69.30373	35.4
85.02962	6.5
93.03462	6.9
106.37403	4.3
109.02923	6.0
116.21446	4.7
117.03429	6.1
121.02957	5.5
124.61559	4.3
125.02451	15.7
127.04073	5.1
134.03754	82.6
135.04182	5.6
137.02460	11.1
155.03548	7.6
162.67026	4.3
163.04187	5.8
173.04553	6.7
191.05635	52.3
193.05072	100.0
194.05309	6.9
211.23535	4.9
245.38013	4.7
289.07104	8.1
307.11868	5.7
364.08295	5.4
367.10284	31.6
537.49359	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	8.4
59.01377	4.1
61.13600	1.0
61.98843	9.9
67.13708	1.1
71.01393	3.5
81.03451	2.9
83.01405	2.8
84.60970	1.0
85.02969	2.7
87.00858	1.4
88.98824	1.1
89.02429	1.5
93.03449	2.1
96.96038	1.8
97.02971	2.0
99.04536	1.6
101.02457	1.2
109.03007	5.9
113.02492	1.2
121.02988	3.1
121.06595	2.0
122.03764	2.3
123.04547	7.0
125.02464	40.7
132.62529	1.1
133.03033	2.1
134.03824	1.2
135.04539	4.9
136.05315	42.7
137.02461	3.5
139.03960	1.5
145.02933	2.0
147.04488	1.9
149.06052	10.0
150.03232	1.2
151.04042	5.2
151.07693	1.3
159.04514	1.5
161.02449	6.8
161.06122	1.1
162.06902	10.0
163.00418	1.6
163.03960	1.4
164.01189	3.1
165.01987	3.1
167.03510	11.3
173.02522	1.6
173.06119	1.2
174.03181	1.1
175.04001	8.1
177.01984	2.5
177.09207	2.0
179.03612	1.1
189.09236	1.3
191.05605	2.6
199.04102	2.2
201.01952	4.2
203.03531	2.2
203.07181	2.6
205.08699	3.4
209.11850	10.7
217.08760	1.3
218.13177	3.8
225.05554	1.2
227.03500	2.9
227.13005	1.2
231.02995	1.5
233.15498	4.7
237.05536	1.9
241.04872	1.9
243.02988	1.5
247.13304	1.2
249.05554	1.6
253.04886	1.3
255.02928	1.6
265.05072	3.3
277.05209	1.2
279.10431	1.7
280.03876	1.4
281.04593	1.9
284.03351	1.2
285.04077	1.4
297.11371	3.0
301.05267	1.2
307.06039	1.5
309.04169	2.9
319.06143	1.3
321.11481	1.6
323.09372	3.7
325.10657	1.8
339.12317	1.3
363.08871	1.3
365.10269	2.0
367.11932	14.8
368.12448	2.2
377.10416	9.8
405.13501	2.5
407.11484	2.1
432.28714	1.4
441.13776	3.1
447.31195	11.4
474.29984	1.8
485.15964	1.5
487.14078	10.3
492.31262	3.6
493.31766	28.8
494.32059	2.6
503.13641	9.3
529.15070	30.8
530.15582	4.5
593.18335	9.1
594.18384	1.9
611.19189	2.0
637.16895	1.9
655.18475	7.3
655.37042	100.0
656.28595	5.1
656.38214	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23682	0.5
59.01382	100.0
60.01715	0.9
65.71065	0.4
69.08504	1.6
69.08923	2.6
85.24289	0.5
99.04524	7.7
138.92326	0.5
139.54494	0.4
229.49832	0.5
246.59473	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	94.9
61.98814	1.6
69.09246	5.1
69.09662	2.7
69.18604	1.0
71.22292	1.0
74.44650	1.2
90.99898	0.9
99.04526	100.0
100.04858	1.6
161.53557	1.0
162.83853	1.5
192.00114	1.0
335.17972	0.9
367.11984	2.2
380.20322	1.2
407.24341	1.0
440.37836	1.0
467.16858	1.5
595.21643	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79253	1.2
59.01383	100.0
61.98842	3.9
64.07775	1.4
71.01394	2.5
76.00591	1.2
77.63320	1.4
98.22527	3.1
99.04527	22.7
101.02455	1.7
109.06593	3.7
121.02992	2.4
160.84230	3.8
162.83911	4.6
163.11327	1.5
171.10291	2.3
185.42790	1.5
207.10271	6.8
209.11870	10.5
211.13434	11.1
212.13684	1.6
225.11317	6.6
227.12915	2.9
235.08261	1.3
253.09502	1.6
283.12695	1.4
295.94998	1.5
401.22775	1.8
447.22577	1.4
493.35672	2.8
637.32599	6.4
655.33057	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16064	0.3
54.12656	0.3
59.01384	25.0
60.01683	0.3
70.85833	0.7
95.05055	0.6
97.02973	0.8
99.04528	100.0
100.04852	2.5
137.06108	3.9
147.99706	0.4
150.50212	0.4
160.84253	0.6
162.83981	0.9
163.07640	0.6
215.55740	0.3
223.11488	0.3
351.16376	0.4
371.20331	0.5
389.21481	0.5
415.19348	0.7
433.20221	1.2
450.20056	0.4
451.21463	0.8
469.72473	0.3
477.18936	0.8
483.82120	0.3
495.20181	2.3
496.21045	0.5
513.21326	7.4
514.21515	1.0
555.22534	0.4
613.26813	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.2
59.01386	2.3
61.98828	1.1
71.01388	1.5
71.31021	0.1
71.31429	0.3
73.02952	0.6
75.90665	0.1
80.02682	0.9
81.03458	1.0
82.03848	0.1
83.01384	0.3
83.04532	0.2
83.05033	3.5
84.02160	0.3
85.02947	0.6
87.00872	0.4
89.02452	1.2
93.03445	0.3
94.98070	0.7
95.01410	0.2
95.05041	0.8
96.96024	0.9
97.06614	0.2
98.22177	0.2
101.02444	1.3
109.06590	0.5
113.02480	0.8
119.03491	0.3
121.03001	1.0
123.59589	0.1
125.02444	0.3
125.06122	0.5
125.09734	0.6
135.08167	0.4
141.01912	0.1
143.03494	0.2
145.05034	0.2
147.11823	0.3
161.04597	0.5
163.11307	3.2
164.11604	0.1
165.12859	2.0
171.10287	2.0
175.03906	0.2
179.05649	0.2
181.12372	0.5
185.11838	0.4
191.10854	0.8
203.14455	0.3
207.10297	0.4
209.11852	100.0
210.12184	5.4
210.14198	0.2
211.13309	0.3
221.11778	0.2
227.12915	5.8
228.13309	0.2
231.13860	0.2
235.08229	1.3
247.13425	1.4
248.13766	0.1
249.14966	0.8
253.09311	4.6
254.09787	0.2
265.14459	0.4
383.22287	0.2
401.23297	0.8
417.82376	0.1
419.24451	0.6
445.20703	0.9
491.92188	0.2
493.18680	0.3
637.32330	2.7
638.32764	0.3
655.33044	1.4
656.34143	0.3
682.00531	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3704
Annotation	Russelioside A
Peak:m/z	Relative Intensity
57.03447	0.9
59.01376	1.4
61.98824	0.7
69.44347	2.3
71.01376	0.9
73.02979	0.3
87.00852	0.5
94.98095	0.7
96.96012	3.0
98.22506	0.4
99.04542	0.5
107.05019	0.3
111.04494	0.4
111.08176	0.6
120.01174	0.3
121.06621	1.1
122.03757	1.1
125.09779	0.5
135.04504	2.3
136.05312	43.6
137.05750	1.3
147.08176	0.9
148.05254	0.5
149.06093	8.1
150.06898	4.5
153.09279	0.4
157.08746	0.8
162.06879	2.9
163.07661	1.5
164.08409	5.5
165.05612	0.5
165.09219	19.3
166.09579	1.3
171.10178	0.6
179.07143	0.5
183.36411	0.3
263.20181	0.9
281.21207	0.8
327.21823	6.6
328.22147	0.8
414.27765	1.1
429.30197	1.6
430.31253	0.5
432.28757	4.5
433.29288	0.6
446.30197	0.7
447.31168	17.0
448.31641	2.1
474.29929	1.7
475.30682	3.2
492.30997	3.1
493.31741	30.3
494.32053	3.8
535.33234	0.5
655.37018	100.0
656.37390	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.01386	4.1
61.98841	5.2
65.63958	0.5
70.04854	1.9
71.01386	4.2
78.89576	0.6
80.02672	0.7
81.03452	1.5
82.95350	0.5
83.01399	0.9
83.05030	4.7
85.02962	1.9
85.39741	0.8
87.00897	1.4
89.02436	2.4
95.05033	1.0
101.02484	3.0
113.02464	1.1
121.02953	0.9
121.06591	0.7
122.03773	0.8
123.04492	0.8
125.02444	3.0
125.06065	0.9
125.09704	0.7
128.90190	1.2
131.03505	0.7
135.04533	1.1
135.08203	0.8
136.05319	25.8
137.02440	1.3
137.05719	0.8
149.06102	9.9
150.06949	3.0
151.07680	1.0
159.04610	0.9
161.04549	1.0
162.06889	5.8
163.07654	1.4
163.11292	3.4
165.09203	0.8
165.12877	1.6
171.10281	3.3
173.04564	0.7
174.06918	0.8
177.09276	0.9
179.10695	0.6
191.05690	1.3
191.10789	5.6
204.11584	0.7
209.11850	100.0
210.12213	6.5
219.13858	4.4
227.12880	6.7
233.11957	0.6
235.08249	1.8
247.13388	1.3
249.14749	0.9
253.09317	5.0
253.57767	0.6
261.86606	0.7
265.14359	0.7
273.18799	1.3
301.20313	1.0
321.20850	1.0
339.49771	0.6
401.23233	1.2
404.24646	0.7
419.24451	0.9
429.30334	1.3
445.20822	0.9
447.31183	3.6
474.29828	1.0
475.31125	2.7
477.32016	0.7
492.31110	2.3
493.31793	21.6
494.32147	2.2
637.32025	2.9
638.32501	0.8
655.37085	72.6
656.37421	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3711
Annotation	Russelioside A
Peak:m/z	Relative Intensity
57.03462	2.8
57.87328	0.5
59.01379	3.2
61.98835	4.6
68.99571	0.5
69.03069	0.7
69.03468	4.9
71.01396	3.4
71.05003	0.6
73.02958	1.0
74.21737	0.5
74.40666	0.4
83.01382	0.9
83.05039	0.8
85.02962	1.7
87.00893	2.2
88.98803	0.7
89.02454	1.7
93.03443	0.6
96.96024	2.0
98.22642	0.8
99.04510	1.1
101.02465	1.3
102.51707	0.5
109.02979	1.2
109.06539	0.5
112.98636	0.4
113.02479	0.9
114.31769	0.4
116.92887	0.7
119.03507	0.7
121.02975	0.9
121.06590	1.3
122.03769	2.1
123.04553	2.3
123.08173	0.6
125.02457	7.4
126.90450	0.7
133.02957	0.5
135.04518	3.5
136.05313	47.6
137.02429	1.0
137.05669	1.8
149.06084	12.3
150.03275	1.0
150.06909	2.2
151.04008	1.0
151.07686	0.8
151.11302	0.5
159.04576	0.7
161.02515	1.4
162.06885	10.1
163.07616	1.8
165.01825	0.5
165.09171	0.7
167.03554	1.8
173.04565	0.6
175.04063	0.8
175.07680	0.7
177.01959	1.0
177.09126	0.7
179.05708	0.5
187.03867	0.6
187.09692	0.5
189.09123	1.1
191.05583	1.2
195.13901	0.9
197.76997	0.5
201.01971	0.5
203.07303	0.5
205.08728	0.5
209.11816	5.3
215.12917	1.9
217.08720	0.5
218.13184	3.8
227.03363	0.7
233.15462	5.2
237.14767	0.5
239.16571	0.5
265.05029	0.6
281.04465	0.6
309.04355	0.7
337.10767	0.6
367.12119	2.4
377.10236	1.2
405.13568	0.7
432.28873	1.6
446.30096	0.6
447.31125	8.7
448.31525	1.1
459.12683	0.6
474.30252	1.6
475.30545	1.7
487.14151	1.6
492.31250	3.7
492.37473	0.7
493.31732	30.1
494.32053	3.9
503.13745	1.7
511.14581	0.6
529.15063	5.3
530.15997	0.7
593.18451	1.0
611.37854	0.5
637.33075	0.6
655.37048	100.0
656.28510	2.5
656.37677	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10394	0.6
59.01363	0.6
59.48049	0.6
61.98835	100.0
71.31364	1.1
90.84946	0.6
96.43818	0.5
106.22347	0.5
107.01415	0.7
109.02993	0.7
111.04591	0.6
125.02489	1.6
151.00420	1.8
173.04605	0.6
176.32140	0.5
177.01997	0.8
178.99852	0.8
179.83070	0.7
191.05751	1.0
213.05595	0.5
224.61476	0.6
227.03514	19.6
227.05641	1.1
228.03955	1.7
229.05173	1.4
255.03008	35.3
256.03564	4.2
257.04688	0.8
283.02570	1.0
284.03281	51.2
285.03979	16.7
331.83585	0.5
396.85892	0.6
410.92139	0.5
593.15167	59.3
594.15442	10.2
594.24158	0.7
632.19672	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.2
61.98833	100.0
67.51276	0.8
69.48233	1.7
69.48632	4.7
72.84982	0.9
80.78027	0.8
86.03363	0.9
89.11211	0.9
93.03483	1.6
125.02459	2.1
131.59120	0.9
133.02966	0.9
134.03748	1.4
136.89410	0.9
146.54622	0.9
151.00386	1.6
152.23801	0.8
161.02458	0.8
168.23763	0.8
191.05585	1.7
202.53622	0.9
218.31409	0.9
227.03519	24.7
228.03951	1.5
255.02988	38.8
256.03592	5.8
257.04559	1.2
284.03275	61.1
285.03806	10.4
300.02509	1.4
301.03143	1.8
309.49969	0.9
566.12317	2.5
593.15143	70.9
594.15710	9.3
596.26624	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10727	0.5
59.01372	1.0
61.98835	100.0
63.02395	0.6
65.00319	0.6
107.01420	1.5
125.02452	1.1
132.02243	0.5
137.02563	0.5
143.05098	0.6
151.00417	2.6
163.00508	0.8
178.99886	0.6
185.06184	0.6
187.03944	0.5
211.04146	0.7
213.05510	1.0
227.03514	9.6
229.05061	3.5
229.45901	0.8
241.05240	0.6
243.03046	1.6
253.26665	0.5
255.03003	13.2
256.03656	1.9
257.04501	2.4
257.22992	0.5
271.02457	4.4
272.03088	0.5
284.03302	13.9
284.06387	1.0
285.04062	51.5
286.04343	3.8
300.02759	12.1
300.05939	0.9
301.03485	1.8
303.56714	0.5
575.14081	19.1
576.14075	2.5
593.15167	15.2
594.15918	1.8
674.62848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38069	1.5
51.64147	1.6
53.42977	1.5
59.01381	14.7
63.92733	1.5
65.98036	1.9
79.10297	1.5
84.44780	1.7
99.04527	61.5
100.04871	6.3
106.42291	1.6
125.87331	2.5
143.86612	2.0
160.84203	15.5
162.83925	100.0
179.84201	13.2
229.39459	1.8
245.30299	1.9
292.81342	1.8
351.12347	1.9
514.21448	3.5
597.27911	2.3
616.53271	1.8
656.10284	23.0
657.10443	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56495	4.1
51.66833	3.6
57.01860	3.3
57.03443	4.7
59.01369	17.8
61.98839	10.4
69.24139	21.4
69.24548	7.6
71.01353	9.0
81.76221	3.8
83.01386	4.5
83.05042	5.7
85.02961	4.6
89.12627	3.4
91.07290	3.8
97.02952	6.1
98.35666	4.0
99.04534	44.9
101.02423	6.0
102.47609	4.2
105.18990	4.0
109.02950	8.5
118.40190	4.7
122.89419	9.3
123.04554	7.0
125.02437	18.6
126.90423	11.9
127.87025	6.6
128.90167	15.4
134.44980	4.3
151.04001	5.0
157.86345	6.6
158.84653	6.1
159.85963	5.3
160.84219	87.3
169.12318	8.7
171.10249	16.9
172.44080	4.5
176.13283	4.0
197.11836	100.0
198.12170	3.9
207.10284	8.8
209.11861	50.3
210.12228	7.2
211.13408	48.2
212.13733	8.9
223.13385	14.7
225.11308	5.7
227.12816	7.0
253.09305	15.6
289.07217	6.7
433.21048	5.6
620.18549	5.8
622.89423	4.5
638.32813	5.9
656.11646	22.7
656.33606	13.1
657.11981	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
68.99368	15.4
68.99779	44.3
71.70355	5.4
74.75533	5.6
78.95914	22.6
97.65846	5.3
99.04536	16.7
116.53722	5.6
134.78320	5.6
152.99611	12.0
209.11880	25.6
211.13425	8.6
229.81181	6.8
394.80157	6.4
656.33850	7.4
657.35272	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61246	15.9
56.82138	18.6
60.14010	13.9
61.28930	16.6
64.33115	16.5
69.12309	65.1
69.12735	100.0
78.95879	24.7
80.63211	17.1
374.34915	20.2
613.38940	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15488	10.4
69.42336	83.8
78.02787	9.6
91.99413	13.5
96.30100	11.3
98.21812	22.8
125.02423	20.5
131.25041	11.3
134.03760	82.6
143.05035	12.8
150.62563	14.2
151.62000	10.1
182.72475	10.2
189.34059	11.4
191.05574	47.9
193.05052	100.0
289.07245	27.5
289.36453	11.7
367.10602	30.3
416.86139	12.3
496.30057	18.1
581.09277	12.8
654.98138	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63158	0.2
57.02635	0.3
59.01371	0.4
61.98841	0.3
65.70665	0.2
69.13236	2.0
69.13571	0.4
71.01357	0.3
73.02953	0.4
78.95905	3.0
79.95747	3.4
87.01675	0.2
96.96021	100.0
96.97013	3.6
97.95986	0.3
98.53269	0.2
112.37048	0.2
119.65833	0.2
125.02435	0.4
133.15157	0.2
137.02492	0.3
180.13678	0.2
191.05653	0.7
209.11879	0.5
225.54857	0.3
289.29288	0.3
337.14468	0.2
365.38995	0.2
492.80496	0.3
520.90662	0.2
559.21826	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
60.63508	0.6
61.98816	1.5
68.99577	100.0
78.95899	1.3
82.95443	0.8
96.96014	19.2
96.96692	1.0
96.96980	2.0
107.36205	0.7
112.98575	99.5
113.98931	1.0
119.13385	0.6
136.05289	1.2
150.06905	1.1
162.07611	0.7
165.09192	1.1
201.82509	0.7
209.11772	1.8
210.12050	1.3
237.98445	0.7
441.58066	0.8
457.21796	0.7
495.37524	1.0
576.07257	0.8
578.70581	0.8
657.38104	3.8
658.38361	0.8
685.15704	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33353	0.5
56.45893	0.7
59.01382	100.0
60.01719	0.8
61.98835	5.3
69.04143	1.8
69.04558	4.3
78.95921	1.7
98.21693	1.3
99.04527	6.8
101.06099	6.0
117.66912	0.6
121.02964	1.1
162.84030	0.7
204.99770	0.7
207.03482	0.6
382.92136	0.6
397.09549	0.8
479.67447	0.7
610.31952	0.7
642.29633	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53234	0.5
54.82693	0.3
57.03415	0.3
58.03772	0.3
59.01379	3.0
61.98824	1.1
69.00950	3.3
69.03449	0.5
71.01389	2.6
72.99308	0.4
73.02935	0.4
78.48082	0.3
80.02674	1.0
80.54552	0.2
81.03452	1.4
83.01397	0.3
83.05022	3.8
84.02170	0.7
85.02960	0.7
87.00882	0.8
89.02452	2.0
94.36009	0.3
95.05015	0.6
97.03022	0.4
99.00915	0.3
101.02453	2.2
107.10295	0.3
109.06629	0.5
112.98572	0.6
113.02468	1.6
116.92857	0.4
119.03540	0.6
121.99079	0.3
123.04562	0.4
125.02407	1.5
125.09744	0.4
127.57899	0.3
135.08113	0.5
137.09653	0.3
145.05060	0.3
151.03964	0.3
151.13980	0.3
160.84149	0.5
161.04565	1.3
163.11256	2.2
165.12881	2.2
166.13138	0.5
167.10764	0.5
167.14352	0.6
171.10315	1.5
179.05519	0.4
183.13918	6.7
184.14230	0.6
191.10786	0.6
193.12279	1.7
209.11836	77.8
210.12183	5.2
211.13399	100.0
212.13753	5.7
227.12898	12.1
228.13210	0.9
235.08191	2.6
249.15056	1.4
253.09306	9.3
254.09686	0.5
289.07172	0.6
385.23651	0.4
403.24786	0.6
403.91013	0.3
445.20667	0.8
447.22284	3.8
448.22739	0.7
606.36353	0.3
621.32471	0.7
622.15527	0.7
639.33234	0.9
657.34406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27577	0.7
51.32314	0.6
52.97970	0.6
59.01365	2.5
60.01650	0.6
61.98814	0.9
69.09869	6.6
71.01369	2.9
72.99312	0.8
73.61159	0.6
74.71204	0.6
76.04916	0.6
83.13924	0.5
85.02946	0.7
85.90649	0.6
87.00912	1.2
89.02445	1.9
91.99155	0.6
95.05080	0.9
96.10925	0.6
97.06600	3.0
98.21780	1.2
109.02932	0.7
109.06585	2.2
111.04519	0.9
111.08125	0.7
121.06581	1.5
121.20772	0.7
122.03740	1.7
123.04480	0.9
123.08171	1.0
135.04515	1.4
136.05304	28.3
137.55292	0.6
138.06863	1.2
147.08122	1.0
149.06094	4.5
150.06889	3.2
151.07654	1.4
162.06807	1.2
163.07661	2.5
164.08412	2.7
165.09224	22.9
166.09514	1.0
173.08228	1.2
174.55412	0.6
215.09221	1.6
283.49927	0.6
285.04071	0.8
306.18198	1.3
321.20798	1.4
329.19641	11.0
330.19922	0.8
336.19437	1.2
337.19733	0.7
350.20941	1.8
413.27072	2.7
431.28082	1.3
449.28922	1.6
477.28619	4.8
478.28766	0.7
494.28665	2.5
495.16653	2.6
495.29587	32.9
496.30029	4.4
642.86639	0.7
657.34943	100.0
658.35339	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53256	0.6
55.01870	0.4
57.03446	0.6
59.01382	4.4
61.98842	1.8
68.99563	1.1
69.03468	0.5
70.95885	0.7
71.01390	3.5
73.02946	0.6
80.02685	1.3
81.03458	1.1
83.01401	0.7
83.05034	4.2
84.02161	0.7
85.02959	1.2
86.22539	0.3
87.00883	1.1
89.02438	2.2
95.05013	0.8
97.02967	0.4
101.02448	2.9
103.01492	0.5
112.98589	1.6
113.02452	1.5
115.04060	0.5
116.92883	0.7
117.06226	0.4
119.03534	0.6
125.02474	2.1
135.08139	0.7
137.02473	0.4
145.05060	0.4
151.04048	0.7
161.04568	1.4
162.06841	0.8
163.07619	0.5
163.11302	3.5
165.12805	2.3
167.14442	0.5
171.10297	1.6
177.09157	0.9
179.05580	0.5
181.12325	0.7
183.13899	6.7
184.14279	0.5
191.10774	1.2
193.12366	1.5
207.10429	0.4
209.11841	100.0
210.12169	6.5
211.13397	94.7
212.13733	5.7
227.12906	13.3
228.13275	1.0
235.08275	2.9
249.14944	1.1
253.09320	10.3
313.87753	0.3
352.31656	0.4
385.23886	0.4
403.24960	0.8
445.20667	1.1
447.22403	3.0
459.34082	0.3
495.36603	0.6
607.38336	0.5
621.32538	1.0
639.33594	1.0
683.02075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.01387	3.7
61.98838	4.0
68.10538	0.7
71.01383	3.2
71.31633	0.7
78.91886	2.0
78.95908	10.3
79.95746	7.3
80.91692	30.1
82.95434	1.1
85.02936	1.2
89.02451	1.6
91.96192	0.8
93.03471	0.8
96.96021	100.0
96.96936	11.7
97.95991	0.8
98.22097	1.0
101.02460	1.4
107.01427	0.9
113.02410	1.0
116.92878	0.9
121.06613	2.5
123.04514	0.8
123.08241	0.8
125.02477	1.5
135.04539	3.0
135.08099	1.0
136.05319	32.9
137.02420	1.3
137.05666	1.0
147.08148	1.3
148.05356	1.0
149.02417	0.8
149.06088	8.4
150.06873	9.2
151.00357	2.2
151.07613	1.6
153.01949	0.8
162.06859	4.3
163.07648	4.2
164.04810	0.7
164.08426	3.6
165.01889	1.1
165.09221	28.9
166.09544	1.1
171.10310	1.3
177.09221	1.2
178.99902	4.7
179.10777	1.5
180.00096	0.8
191.05635	3.9
207.10298	0.9
209.11836	4.8
210.12170	1.2
211.13431	4.0
227.13065	1.0
257.87543	1.0
299.22290	8.5
300.23132	1.0
301.11923	1.5
311.22424	2.2
315.21768	1.0
329.23480	1.0
418.31046	1.0
433.33307	2.0
447.31274	4.1
448.31958	0.8
459.31314	1.4
464.31610	1.2
465.32211	7.5
466.32916	0.9
466.93881	1.0
467.20840	1.0
475.13809	1.0
477.32266	9.3
478.32132	1.3
494.31906	3.9
495.33258	13.3
496.33798	1.4
519.33521	1.0
557.47314	0.9
639.37665	1.7
657.13965	3.1
657.38556	79.6
658.38837	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33072	0.2
53.92697	0.2
57.03445	0.9
57.25702	0.2
59.01379	1.3
61.98830	1.0
71.01376	0.7
71.31012	0.3
72.99307	0.9
78.95905	3.0
79.95733	0.5
80.91673	0.5
85.02965	0.4
85.13243	0.2
96.96026	12.4
96.96984	4.2
97.02966	0.3
99.04558	0.5
101.02454	0.3
107.05022	0.3
111.04521	0.4
111.08144	0.3
121.06617	1.2
122.03747	1.4
123.04552	0.7
127.11302	0.7
135.04518	3.0
135.08209	0.3
136.05316	43.6
137.05965	1.7
137.09720	0.9
147.08163	1.1
148.05330	0.6
149.06102	9.9
150.03235	0.2
150.06888	4.6
151.07468	0.4
153.95633	0.3
155.10789	0.5
162.06862	3.2
163.07613	1.3
164.08450	6.0
165.09229	20.0
166.09608	0.9
179.07095	0.9
179.10855	0.5
207.10252	0.3
209.11902	0.4
257.12976	0.7
265.21765	0.8
283.22818	0.7
285.20840	0.3
301.11884	0.5
327.25360	0.4
329.23343	7.4
330.23730	0.6
416.29297	1.0
421.14664	0.3
423.36069	0.2
431.31647	1.9
433.33521	0.5
434.30338	3.9
435.30823	0.7
448.32077	1.5
449.32736	17.8
450.33224	2.2
467.20782	0.7
476.31384	1.4
477.32233	3.6
478.32568	0.6
494.32541	3.3
495.33295	29.2
496.33618	4.4
657.38574	100.0
658.38934	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77496	0.4
56.27557	0.4
57.03456	0.5
59.01380	2.6
61.98845	4.7
62.43316	0.6
67.06593	0.3
67.22066	0.4
67.55853	0.4
69.10381	3.2
71.01380	1.7
71.05013	0.5
73.02958	2.0
76.29465	0.4
78.95892	0.4
82.95437	0.4
83.01392	0.5
83.05061	0.7
85.02975	0.9
87.00874	0.5
87.04547	0.9
89.02444	0.7
94.08192	0.4
96.96037	0.7
97.06606	0.4
98.22012	1.7
99.04511	0.5
99.05621	0.4
101.02442	1.4
102.36018	0.4
109.06623	0.6
113.02480	0.9
113.06120	0.5
116.92893	0.6
119.03510	0.4
123.04488	0.6
125.02445	1.0
135.08133	0.7
136.05284	1.0
137.02454	0.4
137.06091	2.3
149.06082	5.6
150.06879	59.0
151.07187	2.6
153.01938	0.5
161.09746	0.7
163.07658	9.3
163.11295	1.1
164.08447	8.4
165.05592	1.9
169.12355	0.7
171.10295	1.2
176.08447	0.8
177.09180	0.5
178.10023	2.8
179.10788	36.3
180.11127	1.6
181.12355	0.6
183.13922	0.8
185.11942	0.5
191.05624	0.7
193.08763	0.5
207.10320	1.1
209.11859	13.3
210.12254	0.9
211.13405	14.9
212.13791	1.5
225.11313	0.8
227.12959	2.5
233.10675	0.4
235.08203	0.7
253.09349	1.5
271.02579	0.7
299.01926	1.4
300.02695	1.0
308.71014	0.4
388.29242	0.4
390.27890	0.6
405.29953	1.1
406.30643	0.8
419.31906	0.4
446.08627	1.1
462.33661	1.1
477.35922	0.9
479.17285	0.7
480.34595	9.3
481.35049	1.6
494.19650	1.6
494.36200	7.1
495.37042	100.0
496.37399	14.4
639.32971	0.8
657.42554	4.7
658.42383	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.423
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28933	0.7
57.03447	1.0
59.01379	6.7
61.98838	38.3
64.63210	0.6
68.99561	1.2
69.03447	1.5
71.01392	4.8
71.31210	0.9
71.31621	0.9
72.99285	0.9
73.02948	2.5
78.95914	1.1
83.01404	1.3
83.05031	3.2
83.88601	0.7
84.02158	0.7
85.02961	2.6
89.02457	3.3
93.03471	1.5
95.05034	1.1
96.96023	12.1
97.02969	1.6
98.94970	1.1
98.95596	4.1
98.96455	0.8
99.00877	1.1
99.04530	1.8
99.92567	1.5
101.02452	5.0
109.02988	1.1
109.06599	1.4
111.04488	0.7
113.02458	2.1
115.92104	1.8
116.92874	4.8
119.03503	1.2
121.02982	2.1
121.06581	1.0
123.04537	1.3
125.02473	1.4
132.59354	0.7
135.04552	1.1
135.08195	1.6
136.05342	1.7
136.90793	0.7
137.02480	1.6
137.06099	3.5
149.06111	6.1
150.06879	51.9
151.00372	2.4
151.07317	2.4
161.04578	2.1
163.07657	14.7
163.11330	2.3
164.08437	6.4
165.05501	1.8
165.12930	1.4
171.10283	2.4
178.09966	3.9
178.99854	1.5
179.03391	0.7
179.10794	29.7
180.11137	1.5
183.13960	2.2
185.11980	0.9
191.05659	2.4
197.11836	1.3
207.10272	1.6
209.11847	56.9
210.12184	14.6
211.13477	39.8
212.13774	2.5
213.11444	1.3
225.11259	1.7
227.12923	7.6
228.13307	1.2
235.08304	2.3
253.09264	4.7
254.09573	0.8
271.02789	1.5
299.01971	1.9
300.02731	0.9
385.23026	0.8
403.24881	0.9
445.21637	0.9
447.22342	1.8
462.33722	1.4
465.33191	1.2
477.35995	1.0
480.34622	10.1
481.14841	0.9
494.36185	13.1
495.36993	100.0
496.37357	12.0
506.57166	0.8
511.16556	1.0
597.37451	1.4
639.32672	1.2
657.21863	3.4
657.42493	9.1
658.42358	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02943	0.8
54.16341	0.8
61.98837	4.4
71.29143	1.0
82.68296	0.9
105.22823	0.9
108.02149	1.1
109.02977	1.4
116.92862	1.1
125.02468	4.7
151.00383	4.6
151.04048	0.9
161.02432	1.4
175.03859	0.9
177.01959	1.8
178.99875	2.3
187.04016	0.9
199.04071	1.1
200.32281	1.0
212.95515	0.9
216.04321	1.2
222.27162	0.9
227.03624	1.9
243.02975	8.7
244.03506	1.4
254.02164	2.4
255.02991	21.9
256.03214	1.7
271.02505	45.7
272.02982	4.3
289.07251	1.3
299.02072	1.2
300.02762	100.0
301.03226	12.8
375.29395	1.1
595.13062	84.6
596.13525	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36531	0.8
56.72453	0.9
56.84790	0.7
57.03447	0.9
59.01384	2.0
60.49866	0.7
61.98834	56.8
63.02394	1.0
63.20696	0.7
65.00340	2.0
69.15655	7.4
71.01406	0.9
73.02943	1.7
73.34138	0.7
83.01401	2.6
87.00882	2.1
93.03486	1.0
93.38127	0.8
96.96026	1.1
101.02448	1.2
105.99231	0.8
107.01426	3.2
117.03514	2.3
124.01609	1.1
125.02457	7.9
135.04535	0.8
143.03482	2.0
149.02451	1.5
151.00380	8.5
152.01169	5.7
165.01949	3.0
173.06151	1.0
178.99911	4.5
181.06592	0.9
197.06104	1.4
204.20161	0.9
225.05556	3.0
226.53329	0.9
227.03401	0.8
243.02966	1.4
243.06631	1.5
255.03024	1.3
259.06107	14.5
260.06497	1.5
269.04559	100.0
270.04898	8.4
271.02521	2.4
285.04010	1.0
287.05658	10.7
288.05911	0.9
299.02017	2.3
300.02786	2.6
314.04239	4.1
315.05121	3.1
362.81339	1.1
373.41757	0.8
413.08994	1.7
424.14236	1.3
577.15668	35.6
578.16144	6.2
595.16748	4.8
619.39746	0.9
623.16296	9.4
672.28418	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.5
59.01376	1.9
61.98833	68.9
63.02394	2.0
65.00330	18.6
66.00666	1.4
69.05367	3.2
69.05769	12.7
71.01376	2.7
83.01389	8.5
85.36404	1.3
107.01399	24.9
123.04534	2.2
124.01679	3.3
125.02448	12.0
131.03531	2.1
133.02937	5.6
135.04535	5.1
149.02451	1.6
150.03242	22.5
151.00380	100.0
151.03954	2.2
152.01193	14.1
161.02473	1.5
171.04428	1.9
175.03946	3.9
178.99892	21.9
180.00293	1.4
199.04005	4.9
229.05078	1.9
241.05182	1.9
257.04416	2.5
259.06152	10.7
267.03363	1.7
269.04391	1.9
271.02536	3.3
285.04071	98.7
286.04376	7.7
287.05649	15.2
299.01962	2.8
300.02786	3.5
302.04248	2.0
469.13766	3.2
577.15912	2.4
595.16736	67.3
596.17053	12.1
598.66052	1.7
623.15875	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59002	1.8
56.52897	1.8
59.01375	3.4
59.87590	2.0
60.95882	1.7
61.98835	100.0
62.64878	1.8
64.43419	1.7
66.17669	1.7
71.30385	3.0
78.95956	1.9
94.67290	1.6
125.02499	2.7
128.60500	2.0
162.83774	1.6
169.53902	1.9
290.48697	1.7
367.57516	2.4
367.61783	2.1
614.64679	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63622	0.3
61.98833	100.0
62.03292	0.3
69.05632	1.5
69.06057	1.0
76.40901	0.3
78.95934	0.5
95.52052	0.3
126.88062	0.3
139.65540	0.3
139.88960	1.2
160.84291	0.5
168.89223	0.4
194.78229	0.3
209.11923	0.5
239.75218	0.3
282.37262	0.4
351.92563	0.3
441.52307	0.3
622.16089	1.3
623.15729	0.6
652.81024	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	3.5
64.64063	3.1
71.29211	2.8
74.81356	2.8
87.14973	2.9
97.02982	2.8
99.04525	60.2
100.04865	9.6
102.68593	2.9
137.06078	29.8
138.06473	6.1
143.86520	6.8
160.84174	4.7
162.83931	58.3
163.83989	3.1
164.83630	100.0
175.11273	4.6
179.84138	15.6
181.83908	11.5
189.09195	5.3
191.10846	4.7
214.10092	2.9
232.96846	3.0
245.11806	2.9
312.13556	4.2
329.13803	7.2
356.12674	3.8
361.22122	3.0
405.20856	4.6
407.18610	16.7
408.19220	7.1
449.19861	9.1
450.20026	3.3
451.17953	4.8
467.20578	4.3
485.82330	3.1
493.18671	7.5
511.19629	11.2
512.20508	5.8
640.17059	3.1
658.10242	32.8
659.11530	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41456	0.5
61.98833	100.0
114.79807	0.5
122.89531	0.5
123.53880	0.6
125.87424	1.0
157.86362	0.7
158.84662	5.7
159.86006	0.5
160.84239	3.1
162.83990	0.8
166.64522	0.5
277.50220	0.5
365.93362	0.5
471.71335	0.6
552.30365	0.6
564.51672	0.6
586.18121	1.5
671.61969	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	4.3
78.95911	4.1
80.96545	3.6
84.00919	15.5
127.93508	2.9
135.19255	2.8
146.95229	2.8
154.95320	2.9
166.26288	3.1
166.52646	2.8
194.65030	3.1
204.05188	9.6
224.57599	3.6
238.64015	3.3
451.32303	6.0
453.33771	100.0
454.34235	17.0
615.38574	4.2
658.39978	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	4.4
75.04645	3.7
78.95917	4.6
84.00943	3.8
98.21733	7.0
159.12970	3.8
243.94669	3.5
279.23639	4.1
337.96735	3.6
453.33749	100.0
454.34164	14.2
488.26373	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78335	4.2
59.01368	6.6
61.98836	64.8
68.99342	2.9
71.32218	4.8
94.41666	3.1
96.95971	3.7
103.13445	2.9
123.42247	3.1
125.02477	8.3
143.03543	4.6
150.95607	3.2
151.00395	10.1
152.01132	5.6
178.99908	4.4
195.75128	3.0
199.03949	3.4
227.03534	3.1
243.02975	22.9
255.02983	7.9
259.06137	4.6
260.06433	4.5
269.04547	55.3
270.04892	46.6
271.02539	20.6
285.04095	7.1
286.45984	3.0
287.05557	9.7
288.05887	8.1
299.01999	32.0
300.02542	15.3
308.05988	3.4
314.04349	48.6
315.05084	33.3
358.50613	3.6
578.16003	25.4
579.15417	3.9
619.78406	3.5
623.16217	100.0
624.16083	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.5
59.01407	1.3
68.11302	0.9
68.19437	0.8
71.01372	0.9
71.28991	1.6
85.02951	7.3
87.00867	3.0
93.03462	9.9
99.84622	0.9
105.03432	1.0
109.02958	5.3
123.04510	1.7
125.02450	9.2
127.03990	1.4
133.02969	10.0
135.04530	4.0
137.02461	2.8
149.02412	1.2
151.03989	1.9
157.03029	1.2
159.04482	1.2
161.02446	6.5
173.04543	6.1
177.01924	3.9
179.03508	3.5
191.05620	100.0
192.05917	3.7
195.02959	1.2
201.01863	0.9
203.03465	1.8
215.05539	4.3
222.52635	0.8
229.01399	3.6
267.06781	1.4
289.07288	1.3
290.07367	1.5
291.07846	1.0
295.06146	2.4
299.54410	0.9
305.06717	4.1
310.32285	0.9
321.04074	1.7
339.05078	7.6
351.07309	7.2
353.08783	8.5
369.08261	1.6
447.06253	1.8
448.06107	0.9
467.09787	3.9
507.09207	1.0
578.85175	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01714	0.6
61.98843	1.0
66.25340	0.5
71.27860	0.9
78.95861	0.5
93.03474	1.1
94.37112	0.4
96.44077	0.4
96.96055	0.6
97.52469	0.4
103.45853	0.4
120.99699	0.7
125.02488	1.5
135.46605	0.4
137.02467	3.4
147.00824	0.5
148.10451	0.5
151.04097	1.1
161.04593	0.5
165.01950	14.5
166.02345	0.8
177.02090	0.8
179.03519	8.7
179.04959	0.7
180.04295	11.1
181.05054	2.4
193.08875	0.6
194.05914	3.0
195.03026	0.7
195.06625	16.8
196.07327	2.4
210.05298	2.6
211.09796	2.7
225.07709	22.0
226.08163	1.8
359.11353	3.6
374.13644	6.6
375.14084	0.5
389.16064	33.0
390.16226	3.3
397.27969	0.4
432.75189	0.5
435.32303	0.5
437.18182	22.1
438.18286	2.2
474.92163	0.5
497.18643	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.6
59.01386	7.9
61.98830	2.0
65.51476	0.6
68.99593	1.5
71.01385	7.4
73.02956	1.5
80.02698	1.3
81.03456	1.2
83.01411	0.9
83.05031	6.1
84.02173	1.0
85.02962	2.6
87.00890	1.5
88.18371	0.6
89.02451	3.4
89.77766	0.6
93.03481	0.8
95.01373	0.8
95.05073	1.6
97.06613	6.5
98.21785	1.2
99.00890	0.9
101.02454	6.4
112.98545	1.8
113.02464	2.4
116.92899	0.9
119.03532	0.9
121.02982	2.9
125.09763	1.2
128.31743	0.6
133.10205	0.7
135.08253	0.8
137.02341	0.7
143.03581	0.8
143.04625	0.8
143.59036	0.7
145.05051	0.7
151.11313	18.7
152.11656	1.5
161.04544	1.7
163.11339	4.3
165.01970	4.1
165.12886	2.7
169.12358	80.8
170.12732	4.5
171.10295	2.7
179.05669	0.7
185.11815	1.6
191.10786	1.0
195.10234	4.3
197.11827	2.6
199.13385	0.8
207.10182	1.0
209.11842	81.1
210.12175	4.3
211.13527	0.9
213.11356	15.4
213.13612	0.8
214.11716	0.9
225.11296	1.7
227.12910	11.7
228.13214	0.8
235.08203	3.0
243.46367	0.7
253.09291	6.7
431.19296	2.9
449.20328	9.5
450.20462	0.9
497.27646	1.0
502.63965	0.7
597.36224	1.2
615.37616	3.1
641.31506	3.8
659.32861	100.0
660.33228	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	4.6
58.40185	2.9
58.77002	2.6
59.01382	28.8
61.98833	21.6
68.99545	3.1
69.03444	5.1
70.96051	6.4
71.01384	21.9
71.20377	3.1
72.99314	3.6
73.02918	7.6
75.00849	2.8
81.03420	2.8
83.01331	3.7
83.05022	9.9
85.02934	10.4
87.00848	11.3
89.02423	13.1
95.01340	3.7
95.05023	3.8
96.95970	4.0
97.02940	5.7
97.06593	5.1
99.00866	7.9
101.02438	17.5
111.04497	6.8
112.98553	7.9
113.02431	8.6
116.92838	8.3
119.03506	2.9
122.93378	2.8
125.02456	5.2
125.09697	6.0
127.11253	3.4
135.08118	3.0
137.02428	6.7
137.06116	5.0
151.11255	13.4
153.05539	3.5
163.11243	7.6
165.12883	3.3
169.12361	83.1
170.12621	3.9
171.10309	32.7
179.07094	3.9
181.12347	12.2
185.11870	16.3
195.10310	4.1
197.11852	39.6
199.13336	8.6
201.11116	3.0
207.10191	9.7
209.11852	80.4
210.12119	10.9
211.13487	3.6
213.11324	28.2
221.76630	2.8
225.11261	17.6
227.12872	24.7
235.08145	6.0
243.12500	7.2
253.09212	12.1
431.19385	6.8
449.20694	14.2
460.83563	2.9
463.22168	2.9
585.35895	4.7
597.35956	11.7
615.37482	63.0
616.37592	6.7
623.38190	6.9
641.39594	5.0
659.32526	100.0
660.33105	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82487	0.5
57.03443	0.7
59.01379	2.7
61.98824	1.5
71.01373	1.5
71.04998	0.6
71.32465	0.6
72.99319	0.5
73.02916	0.6
80.91698	0.5
82.95422	1.5
83.01383	0.5
87.00874	1.3
88.98773	0.4
89.02445	1.1
96.96036	2.0
97.02963	0.4
99.00869	0.4
99.04504	0.5
103.00382	0.5
103.01515	0.9
107.05057	0.5
107.57748	0.4
109.02953	0.7
109.06622	1.2
111.04586	0.4
111.30979	0.4
113.02482	0.5
116.92842	0.4
121.06618	1.4
122.03750	1.3
122.43778	0.4
123.04588	0.6
123.08192	0.8
125.02480	1.2
135.04533	1.5
135.08168	0.4
136.05318	31.4
137.02530	0.3
137.05894	1.0
147.08121	0.9
148.05328	1.1
149.04825	0.5
149.06094	4.7
150.06892	2.6
151.07632	0.4
153.09221	0.6
162.06871	1.0
163.07658	1.9
164.08461	2.8
165.01950	0.5
165.09227	25.9
166.09570	1.0
179.72842	0.4
189.49716	0.4
259.06085	1.0
260.06332	0.5
285.04041	0.9
287.05597	1.6
287.18579	0.5
329.23376	0.7
331.17386	0.6
331.21298	10.5
332.21655	0.9
355.63858	0.5
433.29471	0.8
436.28223	0.7
450.30045	0.5
451.30704	6.4
452.30881	0.8
463.52020	0.5
479.30179	4.1
480.69910	0.5
481.31937	0.6
496.30545	3.9
497.31180	32.5
498.31415	4.3
659.36542	100.0
660.36841	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25953	2.5
56.48043	2.7
57.03445	3.0
58.50008	2.5
59.01390	3.1
61.98838	17.7
64.28876	2.7
71.01384	3.0
71.29350	4.3
81.03452	9.3
83.85461	3.4
84.66949	2.7
85.33026	2.5
93.03458	7.5
95.05035	8.3
97.02986	6.3
99.04523	5.8
109.02965	3.8
119.05019	4.6
121.02953	5.1
123.04560	14.9
125.02457	35.4
137.02466	5.6
137.06081	10.8
139.03963	4.8
151.04109	3.2
152.12741	2.7
163.50957	2.7
165.01944	3.1
165.05571	6.4
166.02640	3.0
167.03511	58.1
179.03516	10.9
191.03445	3.8
193.05133	3.0
197.04549	9.9
209.04546	20.3
221.04497	5.8
239.05544	4.3
273.07672	12.4
285.04306	3.5
285.07712	5.0
315.08771	100.0
316.08990	9.5
327.08826	4.3
345.09689	26.3
373.90939	2.7
477.14075	90.2
478.14291	14.0
507.15137	29.7
541.15125	2.8
579.17010	3.8
597.18311	28.6
598.19019	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97037	13.8
55.48491	12.6
61.98837	26.3
69.07433	100.0
69.97217	12.1
69.97640	12.3
71.70299	11.7
80.04184	11.4
98.21756	28.1
121.03050	16.8
128.42760	15.8
137.53920	13.2
230.80551	14.2
233.02281	12.7
255.45300	14.3
267.18985	12.3
282.73242	15.6
486.98764	15.3
560.16095	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.209
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36338	8.9
58.36792	9.5
69.11486	9.9
69.11789	100.0
81.62404	9.7
97.85928	9.9
110.75584	10.7
121.20889	9.9
124.63160	9.3
218.14941	9.9
254.73021	11.1
255.89772	12.2
326.32831	9.6
636.27991	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
61.98835	100.0
71.29749	0.8
78.95958	0.7
98.03103	0.6
142.32066	0.6
160.84203	0.9
190.57384	0.6
277.21857	0.6
420.24048	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	3.8
69.18409	10.3
69.18816	9.7
78.95930	3.2
84.00916	7.6
107.53925	2.3
119.03535	2.6
158.58302	2.9
173.53586	2.8
406.78073	2.5
455.28909	5.5
455.35321	100.0
456.35693	15.4
468.20645	2.8
660.40479	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93211	0.3
59.01379	2.2
68.99567	0.5
71.29249	0.4
72.21595	0.3
73.02949	0.4
75.00878	0.7
85.00437	0.7
96.35370	0.3
96.96044	0.4
99.92591	12.3
103.01496	1.8
114.93439	0.6
115.84628	0.4
116.92871	100.0
117.01951	1.2
117.92876	4.7
124.04501	0.3
125.02419	0.3
185.96214	0.3
190.78735	0.3
234.27219	0.3
247.13435	0.4
315.75613	0.4
345.85132	0.3
384.69693	0.3
422.21439	0.3
584.47870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75196	0.2
59.01387	0.4
61.98837	0.5
65.86157	0.2
75.00874	0.6
83.18372	0.2
97.50112	0.2
99.00849	0.3
99.92590	10.7
100.92612	0.5
116.92870	100.0
117.01959	0.6
117.92885	5.2
161.02507	0.3
216.83382	0.3
527.45251	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
59.01384	100.0
60.01707	1.0
61.98840	0.8
63.41055	0.4
70.43634	0.7
71.01369	1.6
73.02946	0.8
83.05048	0.8
83.88018	0.6
85.02977	0.9
87.00918	0.6
88.98790	0.8
89.02466	0.7
96.96012	1.0
97.02982	0.5
98.21822	1.7
98.22519	1.7
100.77104	0.6
101.02455	1.4
103.00519	4.2
103.01506	67.7
104.01875	0.7
106.02305	0.5
109.06623	0.6
113.02443	0.6
116.92874	3.5
125.02467	0.9
127.04021	1.0
127.11446	0.5
171.10326	1.9
177.02008	0.8
189.02048	0.9
191.05698	0.8
197.11844	7.8
201.11372	3.0
209.11858	4.9
210.12207	0.7
217.01399	0.8
219.76563	0.6
227.13033	1.2
253.09344	0.8
264.30554	0.6
352.26999	0.6
484.70120	0.6
495.20786	0.6
499.30472	1.6
513.21545	2.2
557.20251	6.4
558.21094	0.6
617.39563	0.8
661.36078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19926	0.7
58.00605	0.9
59.01386	14.7
69.12885	0.6
70.43088	0.7
71.01389	8.2
71.29913	0.8
72.18792	0.7
72.99303	0.7
73.02959	0.8
74.82459	0.6
85.02951	2.1
85.06599	6.7
87.00864	1.2
87.65870	0.8
89.02450	10.1
95.01413	1.1
96.96039	1.9
101.02448	7.3
109.02956	1.6
113.02451	5.3
113.06096	1.7
115.07681	1.9
119.03476	3.7
119.05011	0.8
125.02473	2.7
127.07634	0.8
131.07150	36.5
132.07457	1.0
134.03725	2.8
135.04486	0.8
137.02484	0.8
151.03944	1.1
152.01132	2.0
161.02435	1.2
161.04604	0.8
161.37553	0.7
173.04585	1.1
179.05658	0.7
191.05598	1.8
193.05090	3.0
211.93939	0.7
212.27367	0.7
251.10982	0.7
293.12442	100.0
294.12723	6.0
367.10593	0.9
461.13184	3.6
613.62189	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46906	1.7
56.90736	1.8
59.01371	6.1
62.53473	1.9
67.01878	5.9
69.66812	3.9
69.67181	11.4
71.01373	3.4
74.56578	2.2
85.02939	5.7
93.03461	27.1
95.77405	1.9
102.20952	2.1
111.04520	4.8
119.05038	22.1
125.02460	4.3
126.23122	1.8
137.02451	4.6
141.01691	6.1
145.02940	2.4
155.03557	3.2
163.04019	19.6
173.04559	100.0
174.04803	2.1
176.35052	2.3
191.02007	3.5
191.05634	19.2
204.17987	1.9
211.07619	3.1
225.05562	2.3
291.13654	2.1
327.08771	6.4
334.60385	1.9
337.09271	32.6
338.09988	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01713	0.8
66.65737	0.5
67.57858	0.4
69.10960	4.1
75.00864	1.3
76.95674	0.4
82.49986	0.4
83.26956	0.4
85.00444	0.6
87.00901	0.9
87.27572	0.4
89.24438	0.4
96.96047	0.9
101.31696	0.5
103.00483	9.5
103.01503	76.8
104.01816	0.6
177.01987	0.5
182.23544	0.5
292.58420	0.5
296.26175	0.5
337.57501	0.4
347.15118	0.5
353.30020	0.4
491.11136	0.5
548.57458	0.5
643.49884	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12639	0.9
54.04499	0.8
59.01385	100.0
61.98838	2.2
67.35060	0.9
71.31038	1.5
73.02950	1.0
80.65094	0.8
85.00441	1.9
87.00913	1.3
96.96029	2.7
103.00496	7.3
103.01505	80.5
116.92892	3.4
117.92918	1.1
118.92714	0.9
149.06078	0.8
162.26833	1.0
168.44077	0.9
188.12770	1.1
226.93843	1.0
411.09625	1.0
501.42523	1.1
559.21729	11.9
560.21893	1.4
630.31384	1.0
683.39484	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83386	0.4
57.06214	0.4
59.01383	100.0
60.01731	0.6
61.98847	1.0
63.44031	0.5
66.48989	0.4
68.68877	0.4
69.07482	3.5
71.02335	0.4
71.60683	0.4
71.78480	0.4
75.00879	0.8
88.11294	0.5
96.96011	1.4
103.00486	9.8
103.01500	90.9
104.01830	0.8
104.49397	0.4
108.26659	0.4
116.92849	1.4
140.58865	0.4
151.03856	0.5
234.13701	0.5
483.30588	0.5
501.31259	0.7
663.37427	1.1
689.60260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.4
57.03460	1.6
59.01389	40.1
59.63464	1.1
69.00316	10.3
71.01387	13.5
73.02940	4.5
83.01398	2.1
85.02952	6.8
86.53132	1.1
87.00886	4.0
89.02451	2.8
95.01426	1.7
96.96017	4.5
98.22177	6.3
99.00886	2.2
101.02452	7.3
103.01511	10.9
112.51284	1.1
113.02470	3.8
113.83505	1.1
116.31313	1.1
124.01702	1.8
125.02497	1.5
127.04013	1.8
141.09256	2.7
177.24133	1.1
191.05626	1.7
203.82599	1.2
218.73969	1.5
253.18054	2.6
325.87445	1.3
369.65189	1.2
385.94379	1.0
397.22311	8.2
415.23340	33.4
416.23752	2.4
425.18646	1.2
439.23495	1.2
457.24432	100.0
458.24768	15.2
533.33417	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25951	48.4
55.99914	43.8
61.98830	55.2
65.77896	39.6
70.97610	87.9
121.02939	100.0
190.17804	44.4
243.71107	49.0
307.33185	45.1
339.65839	50.0
388.21179	42.7
467.06912	55.0
502.32153	56.7
628.71136	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
60.27114	0.3
60.99312	17.1
61.98824	0.7
69.25937	0.8
69.26344	2.0
71.01373	0.4
85.02985	0.4
88.98814	100.0
89.99142	0.9
96.98379	0.3
116.92867	0.6
125.02493	0.5
136.35089	0.3
141.20004	0.3
201.11317	0.9
227.03522	1.0
229.05182	0.4
248.49255	0.3
255.03058	1.4
284.03320	2.4
285.04065	6.1
286.04590	0.4
326.92276	0.4
431.94202	0.3
521.33075	0.5
575.14307	2.1
576.14172	0.4
621.37708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	2.0
61.98819	2.6
65.00311	1.9
69.58353	4.1
69.58763	4.7
83.01383	1.7
84.95125	6.6
88.98804	3.1
96.96021	28.4
101.02459	1.5
114.93426	3.5
116.92799	2.1
118.44038	1.4
123.04517	1.8
125.02441	7.2
137.02505	1.9
151.00360	4.9
161.02448	1.7
164.01241	1.6
167.03514	3.1
171.04459	1.6
178.99820	1.8
183.04613	1.7
188.58598	1.5
199.04008	7.9
201.01889	1.5
203.03329	1.8
204.46812	1.5
206.72350	1.7
215.03500	3.9
227.03476	6.4
231.03171	1.5
235.02782	1.7
242.02185	7.2
243.03008	42.0
244.03117	2.3
255.03015	10.0
257.04630	8.6
270.01755	9.6
271.02496	46.9
272.02811	7.4
285.04086	16.8
286.04742	5.4
299.01974	52.7
300.02722	21.1
306.07617	1.9
314.04318	56.7
315.05096	47.5
315.08780	3.0
340.07379	1.7
341.13974	1.9
383.11841	1.9
605.13348	2.5
622.21399	1.8
623.16168	5.1
624.16522	2.0
665.17194	100.0
666.17529	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46767	0.9
59.01374	1.3
59.66952	0.7
60.99310	13.7
63.02404	0.8
65.00323	0.9
68.01544	0.8
69.11956	5.2
88.98812	94.9
89.02440	1.6
107.01388	1.3
116.92867	3.5
121.49635	0.7
125.02407	1.0
145.03038	1.0
151.00375	5.5
163.00415	1.4
164.01260	0.9
165.76160	0.8
171.04579	1.6
183.04558	1.8
187.04074	0.9
199.03990	6.5
201.01886	1.4
215.03479	3.8
226.02695	1.1
227.03543	5.6
228.78134	0.8
229.01411	0.8
242.02289	4.4
243.02983	30.3
244.03523	3.6
254.02248	1.0
255.02971	19.4
256.03522	2.7
257.04471	4.3
259.06110	1.3
270.01590	4.3
271.02493	46.9
272.03098	6.7
285.04083	8.6
286.04742	2.8
287.05637	3.1
299.01987	42.7
300.02744	40.7
301.03104	3.4
313.03711	1.0
314.04355	36.1
315.05106	100.0
316.05414	7.5
357.06097	1.4
422.10941	0.8
623.16071	2.3
665.17255	61.1
666.17786	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1723
Annotation	Isorhamnetin 3-rhamnosyl-(1->6)-(2''-acetylglucoside)
Peak:m/z	Relative Intensity
51.30396	0.6
55.05556	0.6
57.11650	0.6
63.02377	0.7
65.00338	1.4
69.22890	4.1
69.23295	1.3
87.46892	0.7
88.98809	1.1
91.19485	0.5
98.22579	1.2
107.01398	2.0
145.02988	1.0
151.00368	6.4
155.04997	0.8
157.02998	0.9
158.29849	0.6
163.00424	0.6
167.05304	0.5
171.04523	0.8
178.91341	0.7
178.99928	0.9
183.04530	1.4
185.02509	0.8
187.03981	1.0
199.04031	8.7
201.01932	1.6
203.03552	1.8
211.03984	1.0
215.03476	3.4
226.02740	0.8
227.03490	8.7
242.02228	5.7
243.02979	38.8
244.03415	3.0
255.02982	16.0
256.03427	2.1
257.04568	4.6
259.06168	0.8
270.01697	5.9
271.02490	51.9
272.03012	6.3
285.04092	11.7
285.07095	1.2
286.04813	2.5
287.05612	1.3
299.01990	65.6
300.02698	26.7
301.03201	2.1
314.04340	54.9
315.05075	55.6
316.05405	4.7
323.62769	0.7
357.06308	1.8
361.74808	0.7
574.13715	0.7
605.15118	1.4
606.70056	0.7
623.15991	4.2
624.16333	0.8
665.17261	100.0
666.17590	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33566	0.5
63.02407	0.7
65.00319	0.7
69.01173	0.8
69.01572	3.2
83.01430	0.7
89.02415	0.5
91.01881	0.6
101.03989	0.8
106.75779	0.5
107.01403	2.5
108.02182	0.5
114.78254	0.6
120.00858	0.6
125.02426	0.6
128.90198	0.8
143.80000	0.6
151.00368	7.7
153.01956	0.7
163.00337	0.8
164.01233	0.7
171.04527	1.6
173.02625	0.6
175.03954	1.0
183.04570	1.2
187.04025	1.5
191.51105	0.6
199.04018	9.7
200.04350	0.7
201.01985	1.7
203.03496	1.5
204.04248	0.8
205.04962	0.7
215.03494	5.5
226.02765	1.7
227.03508	9.0
229.01526	0.7
242.02191	11.6
243.02991	53.5
244.03387	3.9
246.21362	0.6
254.02277	0.9
255.02972	14.7
256.03488	1.2
257.04572	11.3
258.05038	0.7
270.01712	13.0
270.04547	1.1
271.02487	61.2
272.02933	6.2
285.04071	19.2
285.06424	0.6
286.04739	7.0
287.05624	2.7
299.01993	61.6
300.02692	25.7
301.03195	1.9
313.03555	0.6
314.04343	71.0
315.05066	49.6
316.05405	4.4
346.41342	0.6
357.06152	2.5
388.79242	0.6
426.64935	0.7
464.06250	0.6
469.97052	0.6
477.10489	0.8
492.16656	0.7
587.14124	0.7
605.15155	2.3
616.83813	0.6
623.16095	4.5
624.16620	0.8
665.17261	100.0
666.17523	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.6
60.99306	1.0
65.83471	0.7
67.01881	2.8
69.03439	0.9
71.01380	2.0
77.25903	0.7
85.02953	4.3
87.00898	5.4
93.03463	20.2
94.03842	0.7
104.58937	0.7
111.04523	3.0
119.05061	5.2
127.03992	1.2
129.01927	0.9
145.02974	0.8
163.04025	6.7
164.04430	0.8
173.03253	0.8
173.04520	4.2
191.05621	100.0
192.05914	5.2
193.05992	0.7
228.84131	1.0
238.60014	0.8
337.09232	20.9
338.09631	2.7
361.50882	0.8
554.02747	0.8
694.96741	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99821	0.6
58.72863	0.5
60.99312	15.1
65.00342	0.8
68.44948	0.6
69.27222	3.7
88.98812	100.0
89.02445	1.7
89.99194	0.7
107.01414	1.1
116.92873	3.6
121.02956	0.9
121.41031	0.5
125.02434	1.4
128.81541	0.6
137.02463	0.9
145.02963	1.0
148.01669	0.9
151.00377	4.7
163.00426	0.7
165.01962	0.7
165.53427	0.6
171.04434	0.8
175.03990	0.7
176.08440	1.4
183.04395	1.4
187.03885	0.8
198.03230	0.7
199.04005	5.0
201.02034	1.0
211.04166	0.8
215.03474	2.5
219.67924	0.6
226.02533	0.6
226.48740	0.6
227.03513	5.6
242.02188	3.0
243.02989	28.7
244.03484	2.8
247.06165	0.5
254.02243	0.9
255.03012	13.7
256.03473	2.0
257.04532	3.8
270.01743	3.5
271.02490	42.5
272.03107	5.6
285.04050	6.9
286.04672	1.7
287.05493	1.2
295.10416	0.5
299.01981	37.1
300.02734	35.9
301.03107	3.3
314.00626	1.2
314.04340	29.2
315.05103	89.6
316.05457	7.9
358.20551	0.6
622.21576	0.6
623.16187	3.0
665.17261	53.5
666.17810	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.215
Annotation	fagopyritol B3
Peak:m/z	Relative Intensity
58.00599	2.5
59.01382	99.6
66.42196	1.9
69.02839	19.4
69.03152	3.9
71.01385	82.1
72.66779	2.2
72.99323	3.8
73.02951	14.5
74.59457	2.0
83.01384	5.2
85.02975	15.8
87.00878	26.4
89.02450	92.4
89.95880	2.4
95.01383	4.0
97.02935	3.2
99.00835	2.4
99.04512	2.3
101.02451	73.7
101.03123	3.7
113.02461	40.5
119.03481	17.0
125.02435	9.3
131.03528	3.5
142.31750	1.9
143.03487	18.0
161.04558	18.5
175.12836	2.1
179.05623	69.4
191.05627	2.2
203.05658	7.3
221.06668	19.9
263.07672	2.7
281.08841	5.6
288.22345	2.3
323.09839	5.1
341.10895	45.8
383.11960	100.0
384.12283	6.9
413.13077	2.8
425.12772	4.3
443.14130	17.1
485.15167	24.8
486.15674	3.6
609.20245	2.8
652.52679	2.2
665.21521	71.0
666.21606	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2146
Annotation	fagopyritol B3
Peak:m/z	Relative Intensity
57.03469	2.3
58.00593	3.9
59.01382	77.9
69.03453	2.0
69.67587	1.6
71.01388	75.9
71.27249	1.8
72.99318	4.9
73.02953	11.0
74.93730	1.6
82.83246	1.6
83.01392	3.5
83.20979	1.5
85.02952	16.8
86.99244	1.5
87.00887	26.4
88.98808	5.3
89.01891	4.2
89.02449	80.6
95.01401	4.9
97.02969	4.2
99.00892	3.2
101.02451	70.4
109.03001	1.9
111.00874	1.8
113.02460	34.8
119.03495	17.5
125.02457	8.5
131.03499	5.3
143.03494	17.7
149.04517	2.1
161.04567	15.5
167.03459	3.0
179.05618	70.3
180.05989	2.2
203.05650	9.3
221.06645	20.2
221.08598	1.4
235.08287	1.9
281.08832	2.1
320.46552	1.6
323.09912	5.4
341.10867	41.8
342.11160	2.5
383.11960	100.0
384.12271	9.0
413.13107	2.4
425.13052	5.4
437.12961	1.7
443.14163	17.1
485.15170	27.5
503.16278	3.4
509.07159	1.9
665.21490	68.5
666.21704	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.7
59.01373	9.3
61.50798	2.0
61.98835	17.4
69.03106	2.6
71.01369	2.6
71.31190	3.5
82.95420	3.5
84.95129	13.9
85.00448	13.5
87.00895	2.7
89.02448	5.0
89.38895	2.8
96.96027	3.4
99.04525	15.5
99.92576	2.3
113.02495	2.4
116.92858	10.9
121.02943	8.9
125.02464	7.9
151.03978	3.3
165.02037	3.1
179.05797	2.9
209.11864	3.8
336.69342	2.6
467.20981	3.1
480.38150	2.7
511.19250	3.2
514.27106	2.3
529.21210	5.0
665.23712	100.0
665.37872	6.8
666.24310	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2825
Annotation	Clerodendrin H
Peak:m/z	Relative Intensity
57.03445	1.4
59.01383	100.0
61.98836	11.3
66.41089	0.7
71.01390	1.9
71.31046	0.7
72.99319	4.3
79.94613	0.7
81.03481	0.9
85.02994	1.6
87.00860	3.9
88.73412	0.8
89.02506	1.1
109.17714	0.8
113.02474	1.2
116.92886	1.4
123.04552	0.8
125.02473	4.0
131.70070	0.7
137.02509	1.6
151.04095	1.4
167.03526	0.9
171.02992	0.7
173.04601	1.2
191.05580	1.1
197.12053	0.8
209.11966	1.3
218.73428	0.7
244.15282	0.7
253.31746	0.7
289.07370	3.0
325.10928	1.1
371.15222	0.9
467.33127	0.8
500.07614	0.8
503.34024	4.6
535.25287	4.5
545.24292	1.5
547.22162	1.8
563.25018	29.1
564.25269	5.0
605.26086	7.6
606.26648	1.7
665.39056	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31763	0.6
57.03448	9.0
59.01369	1.4
59.93496	0.6
66.83069	0.7
69.02871	0.8
69.03480	6.8
71.01380	1.9
73.02890	0.8
73.54549	0.6
81.03506	0.7
83.05052	2.1
89.02489	1.0
93.07122	1.1
95.05041	2.4
96.96099	0.6
97.02953	6.2
97.06594	1.9
99.04522	1.5
107.05038	1.7
108.02201	0.8
109.02969	4.2
109.06587	6.2
111.04540	3.8
116.92841	0.6
119.08677	1.9
121.06613	3.9
122.03754	10.3
123.04513	2.2
123.08180	1.2
124.05314	15.5
125.02463	1.9
125.06136	4.1
125.09730	3.5
135.04567	1.8
135.08168	0.8
136.05270	0.8
137.06102	9.3
137.09782	0.6
138.06476	0.7
139.07663	100.0
140.08026	3.9
141.09244	1.3
145.10291	0.6
147.08188	4.1
148.05312	0.8
149.06143	0.7
153.05618	0.9
155.07095	1.0
161.09673	0.7
162.06860	1.1
163.07661	2.2
163.11317	1.6
165.05469	0.7
167.07146	1.5
168.07935	22.9
169.08719	11.0
171.08159	1.7
172.08939	0.8
174.94342	0.7
175.11302	1.4
177.12894	2.5
185.09744	0.7
185.29010	0.6
187.11299	18.2
188.11618	1.2
189.09200	1.4
190.10033	2.9
202.66493	0.7
205.12343	32.1
206.12709	1.9
217.12363	1.6
235.13399	6.5
236.13812	1.3
239.88327	0.6
249.11287	6.5
250.40588	0.6
279.12399	77.4
280.12735	6.4
545.27954	0.8
605.78381	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.7
59.01388	9.1
61.98833	10.2
67.19267	0.8
69.45444	2.2
69.45856	4.0
71.01393	9.1
72.99314	0.8
73.02962	1.3
80.02684	0.9
81.03491	1.1
81.69837	0.8
83.01410	1.1
83.05034	3.8
85.02934	2.6
87.00900	2.2
88.98827	0.8
89.02454	5.6
89.53561	0.8
95.01405	1.0
95.05058	2.3
97.03020	0.9
97.06600	15.1
99.00875	1.1
101.02447	6.9
113.02444	4.6
116.92877	1.9
119.03550	1.1
123.08174	7.9
125.02457	3.0
125.09733	97.3
126.10052	3.8
131.03485	1.1
143.10812	1.4
154.63492	0.8
161.04634	1.7
163.11317	2.3
165.12933	1.2
169.08728	1.9
171.10324	1.3
179.05582	1.3
187.09770	62.4
188.10104	3.8
191.05638	2.4
201.11365	1.2
209.11841	46.6
210.12152	4.4
227.12885	4.0
235.08337	2.2
253.09305	4.5
405.17706	3.6
423.18802	12.1
424.19058	1.4
437.49008	0.9
485.33014	0.9
503.32501	1.7
615.30609	5.0
616.30792	1.8
629.38940	1.3
633.31287	100.0
634.31610	19.0
665.37360	6.2
666.34741	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86988	0.6
52.94384	0.6
57.79978	0.7
59.47082	0.6
78.95929	0.8
111.04556	0.9
123.49731	0.9
135.73239	0.7
146.00046	0.7
158.84871	0.9
195.49196	0.7
197.02240	5.4
201.74014	0.7
262.26889	0.7
319.64008	0.7
355.26443	6.0
372.56146	0.9
423.32745	9.9
424.33121	1.3
431.87335	0.7
449.30707	2.7
450.30875	0.9
467.31686	100.0
468.31992	17.5
485.32248	1.0
573.05719	0.7
665.34802	6.8
666.35077	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35495	34.4
61.98825	83.0
69.93143	37.4
70.19274	100.0
72.95490	37.2
80.94082	37.1
95.56246	36.5
102.96456	35.1
202.73175	49.1
215.47969	33.8
227.15710	43.0
419.73431	39.6
607.99396	45.1
686.55389	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.391
Annotation	Bellericoside
Peak:m/z	Relative Intensity
57.03389	3.8
59.01324	1.7
69.08102	2.3
69.08518	0.6
71.01318	1.3
85.02907	0.6
89.02397	0.6
95.01328	0.4
101.02374	0.4
101.18108	0.3
113.02457	1.4
114.63593	0.3
119.62853	0.3
125.02413	0.5
151.03940	0.4
161.04526	0.5
200.87936	0.3
289.07098	0.4
365.28387	0.9
383.29578	11.1
384.29944	1.9
401.30634	3.3
407.29837	0.6
409.27518	1.2
423.32745	5.5
424.32834	0.6
427.28381	1.0
435.55655	0.3
441.27753	0.4
441.33734	7.4
442.34055	0.9
449.30548	0.5
451.28683	0.3
459.34933	3.6
460.34866	0.4
467.31693	1.5
485.32782	6.6
486.33099	1.1
499.34250	0.4
503.33817	100.0
504.34161	16.0
517.35229	0.4
527.33832	1.0
545.34625	2.4
545.59137	0.3
546.35278	0.5
665.27954	0.6
665.39130	12.4
666.39185	2.3
678.97003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	8.3
60.99311	23.3
67.75790	2.4
73.30576	2.3
83.01408	4.2
88.98816	85.2
95.05060	3.6
97.03008	3.2
107.05032	2.3
109.02954	18.7
121.02902	3.0
123.04548	13.4
125.01537	5.0
125.02455	100.0
131.04979	2.4
133.03001	3.8
137.02472	20.3
142.71962	2.2
149.02426	5.0
151.04002	11.0
161.02438	25.6
161.06134	4.1
163.03917	3.1
164.01178	4.3
175.04012	6.8
177.01933	3.1
179.03493	6.0
187.03995	4.8
191.05559	3.8
201.87381	2.3
203.07182	10.0
205.01399	2.9
205.05035	8.8
205.34071	2.5
217.05075	2.5
243.03029	2.9
244.03609	2.8
245.04538	5.8
245.08104	13.7
255.03000	9.9
256.03751	6.2
273.03976	4.0
285.04199	4.4
287.05469	14.0
289.07187	64.5
290.07553	7.1
299.05569	6.5
339.08673	4.8
360.93909	2.4
407.07709	64.0
408.07974	6.0
425.08820	41.8
426.09216	7.4
451.10431	17.9
452.10608	2.9
527.72601	2.5
554.84540	2.4
577.13513	27.8
578.13556	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11282	0.5
55.31407	0.6
65.00312	1.1
71.01389	0.7
71.29968	0.6
72.63510	0.6
82.80823	0.5
87.17986	0.5
87.34594	0.5
88.98807	1.9
95.87829	0.5
96.95995	0.6
107.01382	1.4
109.02956	0.8
124.01693	2.6
125.02451	1.4
137.02454	3.0
151.00378	6.4
152.01080	0.7
159.04535	0.5
161.04568	1.0
163.00407	1.0
164.01170	2.4
178.99879	6.0
187.03987	0.7
193.01489	0.7
196.93092	0.5
203.03503	0.8
204.04150	0.5
205.15752	0.5
214.02721	9.3
215.03250	1.2
216.32800	0.5
227.03468	1.4
231.02956	0.8
231.31442	0.5
242.02205	7.0
243.02951	4.2
244.03508	0.6
259.02505	6.5
270.01721	7.9
271.02484	42.8
272.02887	3.2
285.84329	0.5
287.01996	25.8
288.02597	3.3
293.51501	0.6
304.00919	0.6
315.01511	0.9
316.02252	100.0
317.02832	16.7
326.18292	0.6
407.08063	0.6
491.19244	0.6
578.84430	0.6
625.14124	6.4
626.14905	0.9
667.15167	71.6
668.15472	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
60.99308	1.4
61.98824	0.5
67.01904	0.3
69.03459	0.3
71.01380	0.9
71.29231	0.3
83.01365	0.2
85.02475	0.5
85.02958	6.2
87.00886	1.2
88.98814	5.2
93.03468	3.0
109.02956	1.0
111.04510	0.9
119.05045	0.9
121.03014	0.4
123.04525	0.9
125.02468	2.8
127.04021	1.5
137.02466	0.8
142.51439	0.2
145.02960	0.7
161.02446	0.8
163.04042	1.7
164.01086	0.3
167.03493	2.1
171.03043	0.5
173.04552	1.6
191.05634	100.0
191.76996	0.3
192.05980	3.5
214.86559	0.3
287.05521	0.6
289.07208	1.6
329.08765	0.4
337.09308	24.5
338.09555	2.0
407.07852	1.2
425.08716	1.2
426.08597	0.3
505.20819	0.5
577.12946	0.4
596.50433	0.3
607.03485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56369	0.4
57.03445	1.4
58.94688	0.4
59.01382	4.9
61.98818	1.0
71.01362	0.9
71.05025	22.0
71.31718	0.6
73.02959	3.4
83.01373	0.5
83.05038	0.6
87.00882	63.1
88.01186	0.9
93.03445	0.9
94.25072	0.4
99.04521	18.9
101.02465	0.7
101.70741	0.6
115.04037	3.6
117.05545	1.0
121.02978	2.9
125.02457	0.5
135.45386	0.4
138.31506	0.5
143.03505	2.5
155.91174	0.5
161.04562	100.0
162.04890	3.8
171.10239	0.9
173.04552	1.2
208.98863	0.5
209.06119	0.5
209.11795	1.7
211.00398	1.2
221.11818	1.0
226.02745	1.7
227.03459	1.3
227.07042	0.5
228.04144	0.6
241.05171	1.8
253.05069	1.0
253.09296	0.6
254.05869	0.7
255.02995	2.2
255.06514	0.9
256.03668	0.9
257.04581	1.5
258.01688	0.7
262.06335	0.9
264.04254	1.1
265.04984	1.4
267.06421	0.5
269.04523	1.0
270.01801	0.8
271.02524	3.0
271.05753	0.5
272.02969	0.5
279.06549	0.7
281.04474	1.1
282.05319	1.0
283.02463	4.5
283.06070	1.9
284.03149	1.9
285.04172	2.5
286.01196	1.9
286.04565	1.2
292.03650	0.7
293.04568	3.9
294.05203	0.8
294.09161	0.6
296.03296	2.5
296.06561	0.7
297.03931	1.7
297.07718	2.2
298.04877	3.2
299.02466	0.6
299.05585	3.7
300.02750	1.0
300.06308	1.3
301.03644	2.7
305.08084	1.0
307.06226	1.2
308.06729	2.5
309.04245	0.6
309.07706	0.8
310.04788	1.2
311.05502	2.6
312.06238	0.9
313.07132	1.3
315.05066	1.4
315.08734	2.2
322.08209	0.5
323.09250	1.5
325.07236	4.6
326.07898	1.7
335.05682	4.1
336.06357	0.8
340.05881	1.0
341.06598	1.2
341.10333	0.9
343.08173	1.4
350.07977	6.7
351.08560	1.0
353.06668	3.0
354.07104	0.7
357.09814	1.4
365.10223	3.8
368.08777	1.4
369.09772	8.4
371.07748	2.0
383.11362	7.5
383.29462	0.7
384.11703	0.9
384.29919	1.2
385.30038	0.9
386.10110	1.8
401.12411	72.7
402.12735	8.6
402.30838	0.5
424.32971	0.6
441.33453	0.7
442.33911	1.0
443.34457	0.7
486.33032	0.9
487.33493	1.1
503.33920	4.4
504.34174	14.2
505.15170	2.0
505.34457	13.7
506.34796	0.6
523.16101	39.8
524.16583	6.2
666.39075	1.6
667.39355	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73928	1.3
57.03463	1.1
59.01385	9.9
61.98834	9.1
64.36869	1.2
65.53883	1.2
69.02486	7.5
69.02913	6.2
71.01380	2.1
71.05028	8.8
73.02933	4.6
83.01393	1.7
85.02944	1.9
87.00880	45.3
89.02439	2.2
91.44099	1.4
99.04510	15.9
102.46389	1.3
104.33855	1.2
115.03995	2.8
121.02962	3.7
125.02406	3.4
149.06021	1.9
150.06845	11.7
161.04564	57.9
162.04910	1.7
163.07588	2.9
164.08363	1.4
171.10280	2.0
179.10710	2.4
185.11888	1.7
193.08597	1.4
209.11862	4.0
221.11757	2.9
223.13365	2.4
225.11234	2.9
226.02672	2.4
227.03621	1.7
241.05052	2.5
255.03038	2.9
257.04559	1.8
262.06055	1.7
265.05081	2.3
266.05524	1.5
269.04800	1.7
271.02420	4.6
271.05585	1.4
279.06598	2.2
283.02420	5.4
283.05991	1.8
284.03317	1.9
285.04022	3.3
286.01181	1.9
289.07260	1.7
293.04669	5.1
296.03217	2.7
297.04266	1.4
297.07565	2.3
298.04834	2.8
299.05603	5.3
300.02615	1.8
301.03790	2.9
305.08267	1.7
307.06082	1.5
308.06934	2.5
310.04883	2.6
311.05591	3.8
314.04117	1.4
315.05197	2.3
315.08636	2.7
323.09229	2.3
325.07263	4.8
335.05612	4.0
340.05768	2.1
350.07977	9.8
353.06540	3.6
355.12033	1.7
357.10037	2.4
361.23740	3.3
365.10223	5.3
368.08936	1.7
369.09732	10.3
371.07761	5.2
383.11386	6.9
386.10498	2.4
401.12405	100.0
402.12729	13.2
415.30783	1.5
433.07480	1.7
446.30347	2.5
456.87463	1.7
461.32584	8.3
505.31851	3.8
523.16101	54.8
524.16565	8.7
667.37451	13.8
668.37683	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48019	2.1
61.98843	3.2
65.52876	2.0
69.27204	17.3
72.99286	3.2
75.00877	37.8
75.38444	2.3
75.50245	2.1
85.02949	8.0
92.07288	2.1
93.03478	3.2
98.21748	2.7
98.22311	7.1
107.05104	2.8
108.79919	2.2
118.92437	2.3
133.02951	5.9
134.03719	3.3
135.04543	57.3
138.53996	2.4
143.62018	2.3
151.55653	2.5
161.02467	5.8
173.04601	2.8
179.03520	53.2
179.05106	3.0
186.88626	2.1
191.05621	100.0
192.06009	4.9
197.04538	2.7
305.84601	2.4
313.12924	30.8
353.08817	82.8
354.09100	9.3
602.15533	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	1.3
58.00594	5.2
59.01381	100.0
65.39458	1.4
69.03454	2.1
69.31889	6.1
71.01384	34.9
71.44303	1.3
72.99310	6.1
73.02949	44.2
73.54288	1.3
76.83468	1.4
85.02954	14.0
87.00890	13.8
87.04525	4.3
89.02450	29.2
97.02967	1.3
101.02451	69.9
103.04021	32.7
109.02984	1.3
109.06568	1.5
113.02422	3.2
115.04039	5.2
116.92863	2.5
119.03513	19.5
125.02469	2.5
127.04031	2.9
127.90503	1.4
131.03503	12.5
133.05072	1.5
139.07681	8.7
143.03513	9.5
145.02977	3.1
145.05054	9.2
163.06139	86.8
164.06461	3.0
168.07860	1.5
187.11259	1.8
205.07169	35.7
205.12428	2.0
217.45872	1.6
224.04884	2.3
234.10510	1.4
238.06343	1.8
239.10751	1.6
251.06874	1.7
255.10237	6.7
263.07678	1.6
265.09183	2.9
269.08228	1.9
269.11688	1.8
270.12613	2.6
279.12378	11.2
283.09769	28.5
293.08209	1.7
294.09161	1.6
295.09778	4.0
296.10574	3.7
298.12027	2.1
310.12103	2.3
311.09280	61.9
312.09680	5.6
325.10886	5.4
326.11609	33.8
327.12070	3.1
341.13953	62.1
342.14233	7.9
605.36005	1.4
627.06726	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90669	0.2
54.18024	0.2
57.03453	0.5
59.01384	100.0
60.01725	0.8
68.01109	0.2
70.73873	0.5
71.01387	0.6
73.02949	0.8
83.18906	0.2
85.02954	0.4
87.00900	0.3
87.04539	1.3
89.02454	2.4
96.38960	0.2
99.04554	0.2
101.02451	0.4
101.58437	0.2
109.06625	0.4
113.02483	0.6
127.07700	0.4
137.09793	0.4
155.56891	0.2
155.77225	0.3
211.11401	0.2
241.16002	0.2
291.17731	0.3
295.17236	0.4
309.18848	0.4
325.18091	0.2
365.21359	0.4
369.20670	0.6
385.20245	0.6
387.21872	0.8
401.19821	0.3
427.21390	0.6
445.22537	0.8
463.23413	4.0
464.23364	0.6
503.26624	0.4
547.25568	1.0
565.26569	35.6
566.26904	5.8
607.27942	1.1
608.27838	0.4
667.29749	4.9
668.30060	1.0
693.06110	0.2
695.80432	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46019	0.4
59.01384	100.0
60.01708	0.5
61.98841	0.8
68.99542	1.8
68.99965	2.7
69.03495	0.5
71.01434	0.5
87.04526	0.5
91.93682	0.5
96.36912	0.4
107.38190	0.5
109.06667	0.5
112.60500	0.4
116.92902	1.6
125.02508	0.5
127.07687	0.5
190.84279	0.5
236.57352	0.5
238.33417	0.5
246.64359	0.5
274.54364	0.5
308.28360	0.5
375.22119	0.8
481.10965	0.5
537.26965	4.1
538.28015	0.8
565.26813	1.7
607.27869	4.2
608.28687	1.0
637.24097	0.6
667.28461	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18879	1.3
57.03441	2.5
58.84419	1.5
59.01389	16.7
61.98837	7.8
69.03461	3.3
71.01389	12.6
73.02962	4.3
74.80606	1.5
80.02649	1.8
81.03465	4.3
83.01388	2.6
83.05026	4.2
85.02962	4.4
87.00896	3.6
89.02448	6.5
89.64878	1.3
93.03479	8.3
95.05054	1.7
97.02952	10.0
98.21713	3.2
99.00890	2.1
99.04514	9.9
101.02451	7.8
109.06599	36.9
113.02465	6.1
119.03535	1.6
121.06607	2.2
123.04514	2.7
125.09721	2.9
127.07706	7.9
135.08203	3.7
136.05193	1.6
137.02469	10.6
142.02725	3.1
147.08217	1.5
151.11339	1.8
161.04518	2.7
161.09784	2.6
163.11314	21.4
167.10764	3.0
171.10274	5.4
177.12863	2.0
179.10796	3.1
179.14442	2.8
181.12366	6.3
185.11839	5.9
189.09256	2.6
195.13931	9.4
196.14275	1.5
205.12326	9.0
207.10280	100.0
208.10600	6.7
209.11853	7.4
223.13405	69.7
224.13734	5.8
225.11337	54.6
226.11690	4.1
229.16452	1.7
235.08315	3.7
246.07104	1.4
249.15054	1.9
251.10587	1.6
253.09331	11.4
259.13388	2.0
295.13461	1.9
297.60751	1.5
299.15222	1.9
309.86026	1.5
341.24750	1.6
351.23383	2.0
377.21524	1.8
385.23749	3.3
395.22247	10.1
403.24753	3.5
413.23367	22.2
414.23520	4.3
431.24512	8.7
443.19162	6.0
459.22559	2.6
461.20419	20.2
467.20682	3.4
618.27948	1.6
621.32855	2.8
631.31317	5.8
649.32343	34.4
650.32568	7.9
667.33411	47.2
668.33606	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	1.5
69.12382	0.7
88.26923	0.7
88.93661	0.6
98.21754	1.8
99.92624	0.8
104.95228	0.7
128.62206	0.8
144.06642	0.7
197.02249	10.3
372.78717	0.7
469.33249	100.0
470.33615	15.7
533.39313	0.8
573.60071	0.8
667.36127	24.1
668.36646	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	2.5
65.91870	1.6
68.00872	1.6
69.15741	10.9
77.64872	1.3
85.04183	1.4
90.31825	1.2
96.27118	1.3
100.13329	1.5
108.12630	1.3
129.61180	1.3
143.86554	1.7
197.02225	8.6
235.86827	1.8
425.34378	4.6
438.60886	1.5
451.32193	1.6
469.33252	100.0
470.33731	15.4
667.36206	12.4
668.36646	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
76.93606	4.1
79.63015	4.0
85.13185	3.5
93.57723	3.8
98.21706	8.2
124.95788	3.7
124.98229	3.9
171.51892	3.8
179.68010	4.2
197.02240	20.1
300.34418	4.7
368.55487	4.6
467.31723	7.0
469.33252	100.0
470.33572	18.1
667.36261	93.2
668.36578	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81732	2.7
59.01410	3.6
61.98824	7.5
71.31775	4.9
77.50873	4.0
92.36948	2.7
153.05344	2.9
171.10278	59.5
187.18445	3.3
233.08606	2.9
236.40555	3.3
277.21777	29.4
299.02182	4.2
318.85992	3.6
425.34903	3.7
432.71613	3.5
451.32532	8.2
469.33252	100.0
470.33279	15.9
504.20169	3.3
631.38373	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35554	1.1
55.01866	2.1
57.03442	2.6
59.01386	14.1
61.98833	12.8
68.50520	1.3
71.01385	28.8
72.99292	1.5
73.02950	8.6
74.46820	1.3
75.02465	1.3
83.01386	4.4
85.02953	14.6
87.00889	2.6
89.02448	6.4
95.01376	1.3
98.22541	4.0
99.00896	4.2
101.02441	26.1
101.03044	2.3
113.02467	13.4
119.03533	1.8
123.75390	1.2
125.02413	1.7
131.03499	14.8
149.04449	1.6
150.06891	4.7
156.05420	1.5
159.03014	2.2
161.04579	16.9
171.10284	1.5
207.10225	2.0
209.11794	3.7
222.02328	1.2
225.11487	2.4
290.18842	1.4
300.02310	1.5
331.22653	7.1
493.28088	100.0
494.28458	14.5
507.24100	1.8
507.33582	1.5
537.27203	4.6
586.30286	1.3
586.79834	1.8
587.27295	1.3
625.32257	26.0
626.32483	5.6
651.29175	1.6
668.35107	1.6
669.29498	3.9
669.38593	5.1
697.29132	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04313	1.1
60.99304	6.4
65.11861	1.0
65.61179	1.0
67.42548	1.2
69.75610	6.1
71.55061	1.0
78.85381	1.1
88.98807	23.4
108.02235	1.7
119.53650	1.3
120.99663	1.4
148.01680	1.1
148.63213	1.0
151.00392	2.7
178.99864	3.8
226.02565	1.2
227.03432	1.5
231.10138	1.1
243.02994	7.3
254.02112	1.5
255.02982	19.3
256.03543	2.0
271.02487	42.3
272.02979	4.0
274.92764	1.3
280.87790	1.1
300.02771	94.1
301.03174	11.3
351.67026	1.3
415.22742	1.2
579.13550	100.0
580.13916	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59409	0.5
59.01378	0.6
60.99313	15.7
61.98832	0.9
69.56975	3.4
71.01386	0.8
81.76349	0.5
88.45452	0.6
88.98814	100.0
89.99158	1.2
90.67390	0.5
112.73579	0.6
116.92868	3.1
117.92886	2.0
118.41957	0.5
118.92710	1.7
119.04966	0.6
121.03028	0.6
126.20961	0.5
133.27408	0.5
135.58791	0.6
151.00394	1.6
152.01189	0.7
164.82817	0.5
178.99867	1.3
191.05606	0.7
258.07443	0.5
269.04553	15.9
270.05057	1.1
407.86731	0.6
445.32538	0.7
552.43719	0.6
579.17261	8.4
580.17584	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92548	0.8
51.48523	1.1
59.01382	1.2
63.99376	0.8
67.07714	0.8
71.01390	1.6
71.29175	1.1
71.67764	0.8
85.02955	7.0
86.05291	0.9
86.68944	0.8
87.00864	1.0
88.98845	1.0
93.03481	3.0
96.96072	0.9
107.01247	0.8
108.02180	22.1
109.02995	6.4
119.05001	1.7
127.04041	2.1
133.03026	1.2
135.04527	1.5
137.02446	1.1
152.01151	19.0
153.01964	7.1
161.02513	1.6
163.04039	2.2
165.28731	0.9
165.41188	0.7
173.04550	2.0
179.03511	1.5
186.30176	0.8
191.05623	100.0
192.05940	5.2
246.95972	0.8
315.07260	30.8
316.07498	1.4
331.10522	1.1
337.09567	0.9
353.08725	9.5
358.31976	1.0
360.80978	0.9
695.97827	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27433	0.2
57.15249	0.3
59.01372	0.5
61.98839	2.5
68.18729	0.3
77.03983	0.4
88.98821	0.5
93.03477	0.3
96.96016	0.6
108.02232	0.3
110.11327	0.3
121.02966	100.0
122.03278	3.2
137.02469	0.6
151.03920	0.3
165.01958	0.4
181.05052	0.3
205.05209	0.4
214.02699	0.3
271.02356	0.3
281.04706	1.3
281.07391	0.3
283.09662	0.2
285.04144	1.2
296.07074	0.5
300.06564	0.5
310.08286	0.3
311.09338	0.5
332.06033	0.2
338.07974	0.4
339.08752	6.4
340.09323	0.6
345.17123	0.5
346.92053	0.2
355.08267	0.9
370.10556	2.7
385.12912	6.5
386.13449	0.9
507.16611	23.8
508.16852	4.0
580.87476	0.3
669.20551	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27452	0.5
59.01384	22.7
61.98838	2.6
68.99823	0.7
69.04816	4.3
78.95868	0.6
83.01408	0.7
84.74571	0.4
85.41672	0.4
93.03479	0.4
99.04528	100.0
100.04887	2.0
101.02499	0.5
113.02510	0.4
128.18681	0.4
140.31984	0.4
143.03516	0.5
161.96043	0.4
171.96284	0.4
200.14061	0.5
207.10265	0.5
209.11867	1.1
223.13441	0.5
262.06705	0.5
283.06107	1.1
307.05957	0.5
351.05191	0.5
381.09735	0.7
427.10367	1.2
469.33249	1.7
470.33112	0.7
481.15070	2.0
609.19910	3.3
669.31293	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.2
61.98838	0.6
69.02131	1.9
69.02554	2.5
71.01386	0.6
72.05370	0.5
81.35825	0.4
88.98808	0.7
89.02450	0.6
96.96010	0.9
103.01529	1.5
121.02972	100.0
122.03316	3.5
125.02448	0.5
148.93445	0.6
165.56934	0.5
179.03645	0.5
179.45706	0.4
203.57513	0.5
224.85712	0.4
246.88928	0.5
255.02806	0.6
257.04572	0.6
266.05884	0.5
267.06580	0.9
271.02380	0.6
280.03824	2.0
281.04611	1.8
281.08121	0.7
283.06293	0.6
295.05963	2.4
297.07712	1.7
309.07767	1.2
310.08585	1.1
311.09265	0.6
316.62582	0.5
327.08652	0.9
337.07202	1.1
338.07962	4.2
339.08719	6.4
340.09393	0.7
353.10226	4.6
355.08029	0.8
368.08908	1.5
369.09821	1.4
370.10590	4.3
371.11075	0.8
383.11426	1.7
385.12970	34.9
386.13306	3.1
507.16724	4.8
508.16977	0.7
519.20343	1.8
547.18140	1.2
669.21448	3.6
670.21777	0.5
691.50891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.8
61.98827	1.4
71.01360	0.4
74.96844	0.3
86.82111	0.3
87.40881	0.3
90.89064	0.3
101.02472	0.4
109.06599	0.5
121.02969	100.0
122.03298	3.3
125.09692	0.5
162.06833	0.4
163.11308	0.6
195.34480	0.3
207.10265	0.8
209.11766	1.8
209.84256	0.4
223.09741	0.5
223.13451	1.2
224.07874	0.3
225.11382	0.5
227.12953	0.6
229.00145	0.4
253.05084	1.8
267.06680	1.4
269.04807	0.4
269.08136	0.8
271.02402	0.3
279.03281	0.4
280.03967	0.5
281.04568	9.1
281.07724	0.5
282.04910	0.8
284.55948	0.4
285.04068	0.8
295.06143	1.5
296.06970	2.0
297.07709	1.4
300.06577	0.5
309.07861	0.5
310.08548	1.3
311.09222	3.4
324.06512	0.8
328.05948	1.1
338.07880	1.1
339.08734	38.2
340.09122	4.3
353.10376	1.0
370.10580	12.2
371.11093	1.1
385.12939	45.2
386.13266	5.6
507.16263	0.6
544.67413	0.4
547.18402	1.8
651.30359	1.1
669.21783	6.9
669.31818	0.8
670.22113	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12212	2.2
57.03447	27.5
58.00608	2.8
59.01383	50.6
67.50957	2.0
69.22058	4.8
69.22473	11.6
71.01107	2.2
71.01393	25.6
81.60261	2.4
85.02960	7.0
87.00909	3.0
88.07843	2.0
89.02454	36.4
101.02447	12.4
109.02949	3.0
112.83387	2.0
113.02457	11.6
119.03486	11.4
121.02975	23.5
131.03532	3.5
143.03470	4.1
146.34888	2.1
147.04544	48.7
161.04570	3.7
164.04797	2.6
166.06404	2.3
169.65373	2.2
176.86217	2.2
179.05618	14.4
179.07126	100.0
180.07506	4.9
223.05980	2.7
283.08060	2.4
327.10919	21.9
341.12518	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83627	0.3
53.99071	0.4
56.62825	0.3
57.03459	0.6
59.01381	5.8
59.01677	0.4
61.98835	0.3
69.03454	2.3
69.21178	2.1
71.01385	4.3
71.05038	0.8
73.02960	0.9
77.50553	0.3
80.02705	0.9
80.43922	0.3
81.03473	1.0
83.01409	0.7
83.05032	5.2
84.02194	1.0
85.02973	1.2
85.06609	0.6
87.00900	1.2
89.02446	2.6
93.03479	0.3
95.01398	0.3
95.05048	1.3
97.02939	0.4
97.06605	0.3
101.02449	4.0
109.02898	0.3
109.06611	1.0
113.02438	1.8
119.03534	0.8
126.36368	0.3
135.08211	0.6
141.09242	0.4
143.03499	0.6
145.05072	0.6
147.11812	0.3
149.09720	0.6
161.04515	1.5
161.13388	0.6
163.11296	3.5
164.11731	0.4
165.12871	2.4
167.10822	2.9
171.10303	2.2
176.82356	0.3
177.12891	0.6
179.05632	0.6
179.10838	1.1
179.14415	3.4
181.12340	0.5
191.10770	1.2
195.13907	9.8
196.14291	0.6
205.12346	9.0
206.12732	0.6
209.11845	100.0
210.12164	6.1
223.13408	95.8
223.17903	0.6
224.13751	7.3
227.12915	15.9
228.13245	1.2
235.08279	4.2
248.24098	0.3
253.09302	11.0
254.09724	0.5
261.14938	2.2
262.15192	0.3
382.58771	0.3
415.24957	0.6
441.21432	0.4
445.20709	1.1
459.22375	7.8
460.22763	0.8
523.56415	0.3
633.32520	1.0
651.33508	0.7
669.32501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19332	1.1
56.22511	1.0
59.01382	22.7
61.98841	2.7
69.11063	9.0
71.30499	1.1
83.04943	1.0
93.03486	2.5
94.61841	1.1
99.04528	100.0
100.04865	3.4
111.04478	1.3
140.78987	1.1
143.03522	1.2
160.84206	1.9
173.04590	3.1
197.02220	5.5
209.11824	2.2
223.13535	1.3
255.23473	1.5
366.08203	1.2
471.34818	46.4
472.35132	7.9
481.14877	1.9
609.19617	4.3
669.37988	12.7
670.37500	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3863
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
57.03440	1.7
58.99274	0.6
59.01371	3.0
61.98835	14.1
65.62807	0.8
68.99429	6.9
71.01363	0.8
85.02947	1.4
87.00882	0.8
89.02435	1.0
98.22645	1.2
99.04596	1.1
108.64224	0.8
109.02938	0.9
113.06127	0.7
121.02951	1.5
123.04556	1.4
133.71976	0.7
135.04558	0.9
137.02425	1.2
149.06085	7.4
150.06885	48.7
151.07320	2.2
155.10861	0.7
157.08687	1.1
160.84248	1.8
163.04074	0.8
163.07680	10.3
164.08450	7.6
165.01994	0.9
176.08458	1.3
178.10049	3.0
179.10808	11.9
281.21320	1.2
283.04092	0.8
325.23782	1.3
327.21759	5.0
328.52942	0.8
391.22913	0.8
428.29456	1.7
446.30295	8.4
447.30670	2.0
460.31894	1.8
461.32791	11.2
462.33032	1.9
488.31528	2.2
489.22134	0.9
489.32211	3.0
506.32532	3.8
507.25256	1.3
507.33255	27.7
508.33646	4.9
571.21619	0.8
669.38611	100.0
670.30005	0.9
670.38940	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07210	0.7
59.01385	1.8
61.98835	100.0
68.99574	16.5
68.99924	1.5
71.29365	0.8
90.08524	0.7
96.96054	1.3
112.98585	19.0
126.90500	1.8
137.02469	1.6
150.06888	5.2
150.18773	0.8
162.95601	0.7
163.07704	1.5
165.01942	2.6
179.10876	1.8
210.84659	0.7
312.15414	0.9
313.92020	0.9
448.31781	1.8
463.34604	1.5
482.44339	0.8
509.34937	3.8
670.29932	3.4
671.29980	1.1
671.39984	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33762	0.2
53.05061	0.2
57.03461	0.3
58.99767	0.2
59.01380	2.5
60.01733	0.2
61.98834	100.0
67.57188	0.2
68.26080	0.3
71.01398	0.5
71.31665	0.3
83.05054	0.3
85.02970	0.3
87.00907	0.8
89.02457	0.3
101.02487	0.4
109.06605	0.7
113.02440	0.3
118.98088	0.2
121.02904	0.3
147.15410	0.2
150.06874	3.1
151.07288	0.4
162.06863	0.3
163.07687	1.7
163.11354	0.7
164.08244	0.4
165.01961	0.4
171.10387	0.3
179.10832	1.1
180.11084	0.2
191.05833	0.3
207.10231	2.1
209.11827	4.9
219.23845	0.2
225.11320	3.2
225.13199	0.3
227.12964	0.7
253.09334	0.4
406.27405	0.3
417.23108	0.3
419.31284	0.3
421.29419	1.1
422.09177	0.2
422.29965	0.4
461.20544	0.5
490.33731	0.3
491.34256	0.5
501.92630	0.2
506.32761	0.7
507.33047	3.0
508.33640	4.3
509.27682	0.2
509.34787	1.1
510.68387	0.2
567.26959	0.2
568.27649	0.4
635.30536	0.3
653.31702	0.4
670.39526	1.2
671.32312	0.8
671.40552	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01714	0.9
61.98837	1.3
69.03472	0.7
70.46467	1.2
71.01390	0.7
72.99315	9.3
78.95945	0.5
80.74860	0.4
83.05058	0.8
87.63818	0.5
93.03481	0.7
97.02956	2.5
99.04528	43.1
100.04852	2.0
103.00432	0.5
107.05023	0.5
109.03010	0.8
109.06657	1.1
113.02455	0.8
115.04025	3.5
115.20168	0.4
122.03796	0.6
135.08240	0.6
137.06107	4.1
143.05092	0.6
151.03995	0.5
157.24327	0.5
158.03891	0.6
160.84300	0.5
163.07726	1.3
163.11336	0.9
171.10402	0.5
175.04062	0.8
197.11855	0.5
199.09900	0.6
207.10277	3.5
209.06049	0.4
209.11816	7.6
209.13675	0.5
210.12212	0.5
211.13344	0.5
223.13545	1.0
224.13840	0.8
225.09525	0.6
225.11363	2.7
227.12973	0.5
237.15108	0.6
253.09247	0.6
263.10892	0.5
281.11975	1.0
355.12051	0.8
356.12796	1.2
357.18793	0.5
417.22525	0.5
419.19284	0.5
431.18753	0.7
443.19012	0.5
449.20108	0.8
461.20584	1.0
467.20990	0.5
475.18082	0.7
483.20508	1.1
493.18973	2.3
494.19247	0.7
501.21326	5.6
502.21658	0.9
511.19888	6.7
512.20386	1.0
529.20734	7.6
530.21466	1.4
571.21777	3.0
572.22571	0.7
611.25482	1.5
629.25629	2.1
639.55627	0.5
653.31946	0.6
671.26855	1.2
671.33423	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01728	1.1
61.98825	4.1
71.01376	2.6
71.80149	0.9
78.95935	1.5
81.03462	1.3
83.05047	2.2
85.02946	1.0
89.02448	1.8
93.03452	3.0
97.02960	2.0
99.04529	21.6
101.02470	0.9
109.06602	7.1
115.01892	0.9
127.07651	1.3
149.81093	1.0
151.07625	1.0
163.11320	5.1
169.08760	1.0
171.10271	2.0
173.04601	1.2
181.12440	1.2
207.10272	18.2
208.10657	1.7
209.09866	1.7
209.11856	31.2
210.12143	2.1
225.11319	12.1
226.11540	1.0
227.12939	3.8
244.67719	0.9
252.69107	1.0
253.09294	3.3
266.35910	0.9
399.22034	1.7
417.23041	2.2
443.19083	1.4
461.20425	2.9
467.31683	1.9
635.30957	3.7
653.31873	3.4
654.31274	1.0
671.32690	9.8
672.32831	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.19750	0.6
59.33412	0.7
60.01712	1.0
61.98838	1.8
63.18635	0.7
70.36005	1.8
76.65232	0.6
84.63515	0.7
85.02961	1.5
93.64266	0.6
97.02953	3.8
98.81401	0.6
99.04530	19.8
100.04906	0.7
109.06641	1.8
115.04025	13.0
123.85796	0.7
163.11345	1.2
207.10355	3.2
209.11836	5.8
210.12309	0.8
211.07880	0.7
223.13466	0.7
224.13806	1.1
225.11443	2.9
227.12933	1.7
339.74811	0.7
391.22266	0.6
397.09503	2.0
397.84537	0.6
495.17062	1.9
653.32361	1.6
671.33539	2.7
671.99792	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	8.3
59.01381	100.0
61.90883	2.8
61.98796	6.3
69.26753	21.8
71.01386	73.0
73.02967	6.0
83.01388	6.5
85.02964	8.3
87.13723	3.2
88.98784	3.4
89.02454	97.1
99.00896	4.6
101.02448	55.7
109.02972	8.4
113.02477	8.4
119.03516	8.6
121.02986	4.4
123.04533	9.9
125.02454	50.9
131.03506	71.4
133.03056	3.0
137.02368	4.2
147.04491	2.9
149.02432	8.8
149.04578	80.1
151.04019	17.5
161.02463	9.0
164.01076	4.0
167.11153	3.4
175.03958	4.9
179.03606	3.2
191.05634	39.2
205.05002	3.5
209.04568	4.2
211.57489	3.1
221.06606	3.9
243.02927	3.9
255.03200	4.0
269.04630	3.4
287.05502	5.4
289.07254	8.4
364.42535	3.1
383.11313	3.7
393.09607	3.4
407.07886	5.6
503.13803	3.5
545.14618	4.1
560.65686	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52818	1.5
55.97217	1.4
57.03441	2.5
59.01384	48.1
61.98842	10.2
67.01886	1.5
69.03469	1.9
71.01387	3.6
71.31187	2.5
78.95886	2.2
81.03474	2.2
85.02936	1.8
93.03414	2.7
95.01397	1.5
95.05045	6.3
97.02964	8.4
97.24663	1.7
99.04529	100.0
100.04891	1.7
107.05045	4.3
109.02901	1.7
109.06603	8.7
111.04532	2.1
119.08701	1.7
121.06613	2.7
122.03727	6.1
123.04533	1.8
125.06078	4.1
127.07666	2.1
135.04553	1.8
135.08176	2.7
137.06091	37.6
139.03917	1.9
142.87506	2.7
147.08112	2.0
149.09610	1.7
157.06497	1.9
163.07610	4.2
163.11316	4.0
173.06151	1.7
175.07579	2.1
175.11365	2.8
177.09242	3.4
187.07530	1.6
189.09283	7.8
191.07013	2.1
191.10829	5.2
207.10310	18.3
209.09909	2.7
209.11850	33.7
219.10220	2.2
219.69328	1.9
225.11345	11.1
227.12952	3.9
231.10202	2.1
235.07977	2.7
247.13422	2.4
253.09102	3.1
270.12546	1.8
285.14999	2.4
295.13403	1.8
311.12854	7.0
312.13565	2.9
329.13925	9.7
330.14511	2.9
356.12689	3.2
363.19687	5.8
369.16998	1.8
374.13733	2.0
377.08044	2.0
387.19467	3.2
391.15964	1.8
405.20917	4.4
407.18671	17.3
408.18945	2.8
417.22589	2.4
423.21506	2.0
431.18338	4.4
449.19730	14.6
450.19952	1.8
451.17722	4.3
461.20483	3.1
467.20724	9.3
493.18863	7.7
511.19684	11.0
571.21405	2.8
653.32007	3.0
671.32727	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	63.2
69.03424	1.8
69.18557	10.0
93.03493	2.2
95.05052	5.0
97.02943	7.4
99.04530	100.0
100.04876	2.7
107.05017	2.3
109.02972	5.4
119.08683	2.1
122.03770	3.7
137.02452	2.4
137.06104	43.5
139.04103	1.8
147.08112	2.2
149.06110	2.1
159.03308	1.9
160.84215	7.7
163.07661	4.3
164.83664	2.1
173.09618	2.5
175.07738	2.5
175.11276	3.2
176.83682	1.9
189.09213	5.0
191.10808	5.6
203.07288	2.0
215.10773	1.8
219.10228	2.0
231.10178	1.8
245.11800	2.7
247.13496	2.4
259.13449	2.9
269.11896	3.4
273.11301	2.3
311.12875	8.2
312.13754	2.8
329.14066	11.2
330.14474	4.6
356.12808	2.7
363.19720	4.2
369.17429	3.2
374.13971	3.3
387.19946	2.7
405.20660	5.7
407.18668	24.8
408.18900	2.8
419.95798	2.0
423.22137	4.3
431.18631	5.8
449.19879	16.5
451.17752	7.2
467.20929	11.4
468.21326	2.4
493.18698	9.5
511.19711	12.9
512.19739	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47858	0.3
59.01384	100.0
60.01710	1.3
60.55670	0.3
61.98831	1.0
69.03459	0.9
69.07111	0.7
69.07506	3.9
71.00688	0.3
71.01400	0.8
72.99313	12.8
76.75385	0.4
78.95918	0.4
82.41174	0.4
83.05038	1.4
85.02973	0.5
91.55421	0.3
93.03435	0.9
95.05038	0.6
97.02966	3.2
97.06577	0.5
98.60944	0.4
99.04528	56.5
100.04864	1.7
107.05156	0.4
109.02978	1.0
109.06606	1.5
111.04536	0.5
112.98595	0.4
113.02457	1.1
115.04018	2.4
121.06572	0.5
122.03744	0.7
123.04532	0.6
123.08186	0.7
125.02439	0.8
135.08212	0.4
137.02438	0.6
137.05150	0.4
137.06111	5.0
143.05025	1.0
144.05826	0.4
147.04506	0.4
148.05261	0.8
149.06140	0.4
156.67850	0.4
159.04498	0.7
160.84181	0.5
163.07605	1.8
163.11375	0.5
171.10318	0.5
174.03062	0.5
181.12393	0.4
189.09164	0.5
197.11792	1.2
199.07732	0.7
199.09698	0.6
207.10242	3.6
209.09871	0.5
209.11832	7.5
210.12073	1.3
219.06378	0.4
223.13362	1.9
224.13728	0.9
225.09325	0.5
225.11296	1.8
227.09222	0.7
227.12880	1.0
235.07664	0.6
237.09125	0.6
237.14874	0.6
239.10765	0.6
241.08446	0.4
253.09200	1.0
253.12067	0.6
263.95682	0.4
281.11841	0.8
294.08801	0.7
311.12839	0.5
355.11780	0.8
356.12540	0.9
373.12433	0.5
387.19794	0.5
401.17334	0.5
431.18439	0.6
449.19733	0.9
461.20029	1.0
467.20508	0.7
475.17203	0.6
482.36002	0.4
483.20239	1.8
493.18735	3.9
494.19016	0.5
501.21378	8.0
502.21097	1.3
511.19781	8.8
512.19653	1.4
529.20874	9.4
530.20685	1.5
547.21631	1.0
571.22009	3.8
589.22424	0.9
611.25226	2.5
629.26385	2.0
635.30145	0.8
653.31152	1.0
671.25879	1.5
671.31879	1.5
672.27393	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51865	2.5
55.01874	3.0
55.74964	2.2
57.03448	5.2
58.39595	2.2
59.01382	85.4
59.21525	2.0
67.01906	3.1
69.03458	4.5
71.05053	2.6
73.02935	3.7
75.89720	2.1
95.05026	2.8
97.02962	10.4
97.06598	16.2
99.04527	100.0
105.62161	2.1
107.05016	3.3
109.02923	3.1
109.06590	3.0
111.00903	2.8
121.06564	2.6
123.04553	5.6
125.06091	29.3
127.07642	13.9
143.03481	5.1
149.06023	2.6
153.05478	2.4
158.03726	3.0
159.04431	4.1
160.05289	5.2
169.05078	13.7
213.09299	2.8
221.09674	3.0
235.07712	2.6
237.09032	3.0
237.12823	2.9
261.12756	2.7
277.12411	3.2
279.13974	10.8
281.15533	6.8
295.13412	7.1
297.15039	4.6
301.12170	3.5
305.15399	3.1
307.17279	3.2
323.12976	3.0
329.15295	3.1
339.12387	5.6
341.13889	6.7
343.15948	2.4
345.18704	2.9
347.16440	2.6
353.53964	2.6
381.17087	2.5
387.19684	24.9
388.20114	3.6
391.15778	3.2
405.20642	8.5
415.17230	2.2
423.21860	3.9
431.18631	18.4
432.18692	3.8
449.19781	12.6
467.20813	30.2
475.17542	8.5
485.21991	3.9
493.18393	5.5
511.19461	8.1
529.20837	18.9
530.21765	3.4
571.21857	45.7
572.22089	9.7
653.84210	2.5
671.27020	23.2
672.26837	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01800	0.5
52.02844	0.5
52.41085	0.5
55.01881	0.8
57.03444	1.5
59.01384	8.4
59.26495	0.5
63.25409	0.5
69.03439	0.8
71.01383	6.9
71.05011	0.7
72.99283	0.9
73.02934	0.9
80.02686	2.3
81.03456	2.9
83.01385	1.1
83.05037	7.5
84.02142	1.3
85.02945	2.1
85.13485	0.5
87.00872	1.6
89.02461	2.2
95.01414	0.6
95.05029	1.8
97.02966	5.7
97.06612	1.3
98.22591	1.5
99.00894	4.5
101.02458	4.5
107.05038	0.8
109.06603	12.3
110.03774	1.1
111.04521	1.0
111.08202	0.7
113.02467	2.5
119.03523	1.1
121.06633	1.1
123.08176	1.1
125.02467	1.4
125.09739	4.8
135.08211	2.9
136.05319	1.3
142.02768	1.5
143.03445	0.8
160.84229	1.3
161.04538	1.4
161.09731	1.6
163.11302	15.1
165.12842	3.0
171.10320	4.3
172.62384	0.5
179.10873	0.7
181.12363	9.3
182.12766	0.6
185.11827	1.8
189.09206	1.4
191.10803	0.9
197.11807	0.9
199.13289	1.2
201.11386	1.6
207.10281	51.5
208.10585	3.0
209.11847	100.0
210.12161	6.1
219.13896	0.8
221.12073	0.8
221.15436	0.8
223.13411	1.6
225.11333	59.0
226.11664	3.4
227.12877	14.6
228.13258	0.9
231.10225	0.8
235.08148	2.6
243.12399	5.3
253.09296	7.9
263.12817	1.2
265.14563	0.9
275.84717	0.7
281.14044	0.6
299.14975	1.1
355.22955	0.7
373.23972	2.4
391.25024	1.9
399.21896	2.9
417.22845	3.6
435.24008	1.7
441.33591	0.6
443.19275	3.1
461.20276	17.8
462.20789	1.8
509.26709	0.8
609.32404	1.7
627.31244	1.0
635.30438	5.5
653.31866	15.7
654.32166	3.5
671.32831	22.5
672.33160	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33356	0.7
57.03445	1.4
58.00595	0.7
59.01379	9.0
63.19522	0.6
63.47060	0.7
69.07468	4.7
69.07892	2.6
71.01382	6.3
71.05022	1.1
73.02965	1.6
75.39187	0.6
80.02681	2.4
81.03461	3.5
83.01404	1.2
83.05032	7.3
84.02156	1.2
85.02953	2.7
87.00890	1.1
89.02452	2.4
93.03474	2.4
95.01415	1.0
95.05038	1.7
97.02965	4.7
97.06615	1.2
99.00893	1.2
101.02448	5.6
109.06601	18.8
110.03751	1.5
111.04507	0.9
113.02479	3.4
121.06631	1.9
121.50638	0.6
123.04591	0.8
123.08174	0.9
125.02481	1.3
125.09756	1.9
127.11280	0.7
129.01941	0.6
135.08168	3.5
136.05304	1.2
142.02757	1.7
145.10236	1.0
156.68234	0.7
158.51198	0.7
161.04565	2.0
161.09749	2.2
163.11302	17.2
164.11653	1.2
165.12852	2.6
171.10315	7.6
179.05588	1.0
179.10805	1.0
181.12389	4.5
185.11855	2.9
189.09218	2.5
191.10808	1.0
196.45065	0.7
199.13405	0.8
201.11351	4.4
201.62926	0.7
203.36981	0.6
207.10277	59.5
208.10635	3.8
209.11852	100.0
210.12154	7.4
217.12434	0.7
221.11850	1.1
223.13414	1.2
225.11336	36.4
226.11728	2.3
227.12930	15.2
228.13171	0.8
233.11945	0.8
235.08232	2.9
235.13429	1.8
238.44948	0.7
243.12262	0.9
245.12003	1.4
247.13329	0.9
249.11348	1.6
251.12956	0.8
253.09311	10.1
263.12836	2.4
265.14471	1.3
281.13962	1.1
299.15268	1.4
302.69403	0.8
373.23843	0.9
389.23492	0.8
399.21576	4.9
400.22229	0.8
417.22964	5.0
418.23862	0.7
423.07187	0.9
435.23953	0.9
443.19135	3.8
461.20282	12.2
462.20862	1.4
485.20895	0.8
491.26285	1.0
584.56702	0.8
609.29517	0.8
611.08948	0.8
635.30878	9.3
636.31134	2.0
653.31848	14.6
653.78973	0.7
654.32153	3.2
671.32855	26.1
672.33258	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3291
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
52.70974	0.6
59.01095	0.7
59.01385	10.3
65.74809	0.5
69.03444	0.9
69.10625	5.6
71.01389	6.4
73.02956	1.1
80.02682	1.9
81.03465	3.8
81.34501	0.5
83.01376	1.3
83.05038	6.8
84.02178	1.1
85.02962	1.6
87.00856	1.1
89.02448	3.4
89.92461	0.6
93.03459	1.7
95.05029	1.3
97.02963	6.3
97.06604	0.8
99.00896	1.3
101.02432	5.6
106.04288	0.6
107.05029	0.7
109.03038	0.7
109.06602	22.1
110.03715	1.3
110.06979	0.7
111.00822	0.8
111.04521	0.8
113.02454	2.7
116.22643	0.6
119.03490	1.4
121.06596	1.2
123.04490	0.8
123.08192	1.2
125.02428	1.3
125.06051	0.7
125.09765	2.9
135.08157	3.8
136.05299	1.7
137.02325	0.6
141.01907	0.6
142.02716	1.9
145.05077	0.7
145.10211	0.7
152.07275	0.6
161.04593	1.6
161.09753	1.7
163.11311	17.3
164.11552	0.8
165.12888	2.3
171.10280	4.1
172.81728	0.5
175.17549	0.8
179.05748	0.7
179.10785	1.2
181.12401	5.1
185.11877	2.5
187.09825	1.1
189.09186	1.8
191.10779	1.9
197.11903	0.9
199.13498	0.8
201.11346	1.4
207.10287	63.3
208.10596	4.2
209.11848	100.0
210.12163	7.1
221.11835	1.3
223.13445	1.0
225.11337	30.6
226.11708	1.6
227.10696	0.9
227.12907	14.9
228.13124	0.8
231.10274	0.8
235.08203	3.6
235.13351	0.8
247.13547	1.8
249.11252	1.0
253.09314	11.7
263.12918	1.9
265.14536	1.8
299.15131	1.5
300.92529	0.6
337.77875	0.5
373.23843	1.0
381.20920	0.7
389.23355	0.8
399.21814	5.8
400.21799	1.1
405.17416	0.7
417.22839	5.6
418.23004	0.6
423.07327	1.7
435.23837	0.8
443.19150	3.3
445.20285	0.9
461.20322	11.9
462.20892	1.1
598.35797	0.6
609.30603	0.6
635.30707	11.1
636.31171	1.9
638.90991	0.6
653.31921	14.7
654.32568	2.8
671.32831	25.3
672.33209	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46051	0.7
59.01379	1.6
61.98822	1.3
67.98243	0.9
71.01404	1.0
71.29624	1.3
94.98097	1.0
96.96023	1.2
97.06605	1.4
109.48689	0.8
121.02996	1.4
121.06609	2.1
123.08144	1.6
136.05315	32.1
137.05818	1.2
143.94316	0.9
149.06087	5.4
150.06880	4.4
163.07649	2.1
164.08455	2.3
165.09218	31.4
166.00208	1.0
166.09654	1.3
306.18475	1.0
307.19012	1.2
313.20279	2.9
321.20773	3.6
325.20078	1.0
343.21313	5.1
350.21066	3.4
427.28650	2.8
445.29675	2.6
462.64221	0.9
463.30618	6.0
464.31097	1.2
479.29907	1.7
491.30173	3.3
507.98279	1.0
508.30341	3.0
509.31204	27.8
510.31879	4.2
624.18170	1.0
671.36511	100.0
672.36719	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01073	0.6
59.65070	0.7
63.25233	0.7
69.23508	0.8
69.23893	5.5
81.05773	0.6
87.00887	0.7
97.06618	1.5
99.04509	0.7
111.04538	1.0
121.06620	1.1
122.03790	0.9
123.08160	2.2
136.05315	29.5
148.05247	1.1
149.06102	5.7
150.06956	3.4
162.06862	0.9
163.07722	1.2
164.08499	1.9
165.09224	24.9
166.09573	1.3
199.99564	0.8
229.10841	0.8
305.45139	0.7
306.18393	1.1
321.20737	3.1
343.21140	5.6
350.21109	3.4
427.28455	1.5
445.29556	1.9
463.30750	6.6
464.30786	1.0
491.30386	1.6
508.30576	2.2
509.31165	24.6
510.31497	4.2
671.36505	100.0
672.36798	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.0
56.29098	0.8
56.48461	0.7
57.03440	0.8
59.01383	5.6
61.98833	2.5
66.15858	0.7
69.08035	6.3
71.01374	4.1
71.05023	0.9
73.02951	22.9
81.03460	1.0
81.57653	0.6
83.01389	1.1
83.05037	2.7
85.02962	1.5
87.00883	0.9
89.02457	2.4
95.05076	1.1
96.96030	0.8
97.02968	2.0
97.06645	0.8
99.04530	1.9
101.02473	2.7
109.06596	5.5
111.00883	1.0
111.04552	1.4
113.02475	2.1
113.06084	0.8
123.04539	0.9
123.08129	0.7
125.02482	1.8
125.09773	1.4
135.08194	1.0
136.05397	0.8
137.02464	1.2
141.01740	0.8
142.02808	0.8
145.05026	0.7
149.06110	7.9
150.06880	61.8
151.07159	3.9
161.04681	0.8
161.09766	1.5
162.06914	2.6
163.07664	13.5
163.11298	5.1
164.08441	7.1
165.12897	1.2
171.10323	3.0
176.08501	2.1
177.03441	0.9
177.09204	3.5
178.09999	3.6
179.05589	0.9
179.10788	27.3
180.11208	1.4
181.12451	1.3
191.05659	1.2
193.08765	1.1
201.11357	1.4
207.10280	16.5
209.11844	39.5
210.12292	2.3
225.11343	23.2
226.11702	1.4
227.12854	6.3
235.08276	1.4
253.09297	4.7
263.13080	1.4
271.02396	0.8
399.21915	1.2
402.27695	1.1
417.23083	1.9
417.30167	1.0
420.28879	14.8
421.29431	3.2
432.32620	1.0
434.30383	12.1
435.31143	45.7
436.31430	5.0
443.19543	2.2
445.21829	0.8
447.34903	2.0
461.20184	5.7
462.20724	1.0
469.49213	0.7
508.34259	2.8
509.25928	2.6
509.35025	10.9
510.35410	1.7
518.84662	0.6
635.31213	2.2
653.31372	5.2
654.31433	1.0
671.40424	100.0
672.19598	2.2
672.40717	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4017
Annotation	Guineamide D
Peak:m/z	Relative Intensity
57.03436	0.9
59.01374	4.3
61.98853	1.2
67.85703	0.7
70.81474	1.3
70.81813	1.2
71.01392	2.6
73.02959	0.9
81.03458	0.9
83.12337	0.7
85.02969	2.2
87.23960	0.8
89.02482	1.7
97.03027	1.0
99.04539	1.1
101.02459	1.3
109.06615	2.4
113.02511	1.4
124.45607	0.8
135.08220	1.1
137.02495	1.2
139.41499	0.8
149.06110	6.3
150.06876	46.2
151.07420	1.8
161.09790	1.0
163.07687	9.2
163.11319	3.0
164.08415	6.0
171.10268	1.9
176.08496	2.2
177.09212	0.9
178.02734	1.8
178.09993	4.2
179.10785	13.4
181.12434	1.3
193.08636	1.0
199.13493	0.9
207.10298	8.4
208.10732	0.8
209.11853	18.2
210.12270	1.4
225.11337	13.0
226.11763	1.1
227.12883	5.4
235.08258	1.2
253.09363	3.3
327.25479	1.6
329.23416	5.2
430.31064	1.1
443.19257	1.4
445.33643	1.0
448.31949	10.0
449.31876	1.1
461.20349	4.0
463.34326	13.2
464.34662	1.0
490.33115	2.6
491.33987	3.1
508.34177	3.2
509.34866	31.4
510.35373	6.0
653.31873	3.0
671.40302	100.0
672.40637	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56975	1.5
59.01371	4.4
61.98830	20.2
69.06011	12.0
71.01370	1.8
85.02956	3.4
85.45530	1.4
86.51531	1.5
96.96014	2.1
125.02443	2.2
126.90421	4.6
148.05341	1.9
149.06114	3.7
150.06889	26.4
163.07620	10.0
164.08449	3.7
174.30875	1.6
179.10780	10.7
294.72113	1.5
327.25400	3.5
329.23438	3.8
358.34094	1.9
393.60648	1.9
448.31772	5.3
462.33575	3.7
463.34302	4.4
490.33002	6.3
491.33899	4.7
494.84787	1.9
508.34119	7.5
509.34821	23.1
510.35205	3.3
520.07294	1.7
559.10724	1.9
671.31146	4.3
671.40192	100.0
672.30359	2.8
672.40521	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.2
59.01358	1.4
61.98828	9.1
61.99432	1.1
67.22181	0.8
69.27399	5.7
69.27805	1.6
89.02491	0.8
103.59722	1.2
107.01382	1.0
108.02176	2.4
109.02940	2.5
121.02966	2.0
123.04542	2.6
125.02453	20.0
137.02473	5.2
148.88304	0.9
149.04434	1.2
151.00360	4.0
151.03966	3.0
161.02457	3.7
162.03224	1.3
163.00348	1.9
163.03874	0.9
164.01161	2.6
165.01955	2.5
173.04503	1.4
175.04070	1.0
175.07695	0.9
177.01852	2.0
178.99873	2.5
179.03458	0.9
191.05644	1.1
194.08250	1.0
199.03856	1.0
203.03629	1.0
203.07153	1.8
205.04947	1.0
215.03632	1.1
227.03461	2.5
243.03000	9.8
245.04477	1.0
245.08235	1.1
254.02310	1.5
255.00468	1.5
255.03033	23.7
256.03433	2.0
271.02505	44.1
272.02832	5.1
273.03983	1.3
289.07056	4.3
297.11301	1.1
299.01926	1.1
300.02771	100.0
301.03360	12.8
367.11697	1.9
383.11282	1.4
385.12936	2.5
407.07669	4.3
425.08606	1.1
455.50705	1.2
503.13043	2.2
521.14258	1.8
547.16376	1.8
609.14618	82.3
610.14984	12.5
652.98682	1.0
657.69702	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09284	2.6
57.84423	2.6
59.01395	4.7
61.98841	8.5
71.30239	2.7
71.30640	4.5
81.88707	2.7
85.66672	2.5
92.83694	2.5
93.03464	3.1
109.02978	3.7
125.02457	12.5
137.02423	3.4
151.00378	11.4
159.07748	2.6
178.99895	7.8
191.05522	5.1
191.72774	3.0
198.11057	2.7
201.05675	3.5
215.03481	3.4
228.71864	2.7
243.03020	9.0
255.03117	17.0
271.02536	37.1
272.03021	3.3
300.02768	80.5
301.03522	26.1
443.69598	2.6
482.95142	3.4
509.29550	3.9
609.14630	100.0
610.15277	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.5
61.77406	0.2
61.98837	100.0
63.86692	0.2
67.89576	0.2
70.50169	0.2
71.01404	0.4
71.32265	0.5
74.98334	0.2
85.74049	0.2
99.04523	1.4
100.04884	0.3
102.61366	0.2
102.78146	0.2
136.06313	0.2
148.02827	0.2
160.84229	1.7
169.36888	0.2
176.83908	0.2
199.13501	0.2
207.10356	0.3
209.11852	1.2
211.13496	0.5
223.94653	0.2
225.11375	0.4
227.12854	0.4
233.14726	0.2
253.09138	0.3
302.44058	0.2
529.37097	0.2
672.33154	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	6.8
59.01386	1.5
65.03947	1.4
65.47943	1.5
71.30825	2.6
75.41566	1.4
78.56802	1.4
79.13860	1.9
79.59743	1.8
81.03461	2.4
83.01400	5.7
83.05042	2.8
85.02959	5.7
93.03479	7.8
95.05016	3.1
96.17314	1.8
96.96025	28.7
97.02956	5.6
101.02451	1.6
107.05061	3.9
108.02168	2.8
109.02962	28.5
111.04586	2.2
119.05049	8.3
121.02953	6.8
121.63746	1.4
122.03780	3.8
123.04547	22.5
125.02464	42.4
126.02827	2.4
133.02969	5.7
134.03798	1.9
135.04553	11.2
135.65292	1.7
137.01469	2.8
137.02458	40.1
139.04030	4.1
145.03038	2.4
149.02449	7.1
150.03250	5.2
151.04044	24.9
152.10916	2.3
155.03488	2.4
158.06152	2.5
159.04543	5.5
160.05205	2.1
161.02457	41.0
161.06068	5.9
162.03122	3.6
163.00398	2.9
163.04021	24.4
164.01201	5.6
164.04820	2.3
165.01964	5.7
167.03555	3.8
173.04561	2.2
174.03192	2.0
175.04030	6.9
177.01978	6.9
177.05524	1.7
179.03528	15.4
180.97427	1.6
187.04031	8.6
188.04820	2.6
189.01970	3.1
191.03455	1.4
191.05618	10.6
201.05554	3.3
202.06432	1.7
203.03564	4.4
203.07176	14.7
205.01370	3.6
205.04973	10.4
211.07648	2.5
213.05566	2.5
214.06210	1.6
220.09785	44.0
220.11786	2.9
227.07103	3.7
229.08693	4.2
243.02948	4.7
245.04587	3.8
245.08171	22.6
246.08405	2.3
246.11119	1.7
247.06277	2.0
247.09901	1.6
255.10349	2.5
256.03668	1.9
263.07190	2.9
269.04529	2.7
270.11221	2.1
272.09445	1.7
281.04553	6.2
282.05124	1.9
282.89816	1.7
287.05627	4.6
289.07190	100.0
290.07501	7.9
293.12631	2.2
295.06207	1.8
299.05627	4.8
307.06277	2.8
335.07669	2.0
337.09412	4.8
368.11200	8.9
382.13110	13.9
383.12915	2.0
407.07568	3.7
419.07684	4.1
451.10370	23.5
452.11050	2.7
502.15186	38.6
503.15555	5.6
520.16174	25.6
521.16272	3.8
537.06348	1.9
672.20776	24.6
673.20850	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18801	6.2
61.98829	9.1
69.21352	48.3
98.21783	13.6
99.04533	100.0
100.04864	6.1
111.81024	6.0
137.02531	5.4
158.22934	6.0
168.53632	6.9
198.92216	6.0
309.11337	9.6
319.22708	6.9
344.46957	6.4
467.20822	20.5
471.16257	9.4
511.19858	8.2
529.20911	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.9
60.14967	0.8
61.98832	2.8
71.01414	0.8
72.25553	0.8
73.42203	0.8
78.28934	0.7
78.95908	0.9
82.39307	0.7
84.00918	2.0
85.02932	1.6
101.02489	0.8
113.02451	2.0
119.03592	1.6
161.04584	0.8
162.83783	0.8
164.83659	3.1
193.93390	0.8
204.05257	1.2
209.11929	1.6
228.78554	1.3
241.79817	0.9
263.25949	0.9
355.26474	3.5
412.36874	1.0
423.32498	7.7
424.33356	1.4
449.30573	1.4
467.31689	100.0
468.32120	18.8
469.33368	5.0
481.33032	1.7
509.33200	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22704	12.7
78.95898	12.3
89.81528	11.3
95.40747	8.8
98.22626	21.1
123.24576	11.4
134.32127	11.1
139.38998	9.2
145.09940	10.9
178.36711	12.2
246.68561	12.9
257.00113	11.4
277.60275	9.9
334.46442	14.1
425.34390	43.5
469.33267	100.0
532.90778	12.3
569.13196	12.3
585.39075	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31901	85.1
64.80731	84.6
99.65862	93.2
101.20762	90.2
124.42148	100.0
137.90814	96.1
139.95395	95.2
155.43475	91.9
166.35780	87.0
356.84036	100.0
466.15503	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22183	1.4
57.03447	13.6
61.98825	4.3
66.08762	1.1
69.01620	6.3
69.02050	7.5
69.03460	1.3
81.03468	3.2
83.01382	4.1
89.04015	1.1
93.03489	1.9
95.05074	1.4
97.02962	4.6
98.22543	2.3
107.05032	1.3
108.02153	1.7
109.02964	14.0
109.08067	1.4
109.43949	1.2
116.55817	1.2
121.02991	4.5
122.03710	1.8
123.04540	12.6
125.02457	100.0
126.02821	4.1
135.04538	2.3
137.02458	26.3
139.04002	2.4
145.06679	1.3
149.02458	5.2
150.03236	2.4
151.04039	12.2
159.04492	2.1
160.01639	1.9
161.02454	5.4
161.06070	2.5
162.03181	1.5
163.00433	2.9
163.04022	4.3
164.01213	6.7
165.01961	11.8
167.03496	2.3
173.05998	1.6
175.04051	10.0
175.07697	1.7
175.66965	1.4
177.01939	8.4
179.03525	4.5
187.04060	6.8
188.04765	2.2
189.01871	2.1
189.05627	2.0
199.04001	4.4
200.04700	1.8
201.05565	1.8
203.03455	1.5
203.07133	9.9
204.04156	1.3
205.01428	3.9
205.05032	4.2
211.04048	1.7
212.04712	1.4
213.05641	1.8
215.03464	2.9
217.08777	1.5
227.03471	3.0
227.07149	2.7
228.04227	2.9
229.05084	4.9
229.08658	2.8
239.07193	2.2
243.02977	3.8
245.08252	8.7
255.03001	13.7
256.03574	6.1
257.04575	1.9
257.08237	10.2
271.02530	7.2
272.02850	6.9
273.04062	5.6
281.04816	2.5
281.08185	2.1
283.02936	1.6
285.04050	2.2
287.05661	1.6
289.07217	44.5
290.07452	4.4
297.04288	2.3
300.02771	15.2
301.03101	14.4
302.03574	1.7
329.06702	3.6
339.08704	2.2
341.10257	2.4
365.10526	1.6
367.11838	1.8
383.11398	18.0
384.11804	1.6
385.13046	2.6
395.11386	4.5
407.07730	52.2
408.07834	6.9
425.08881	17.5
426.09335	1.9
450.09671	1.4
503.13574	3.2
521.14447	3.9
529.15222	2.5
547.16046	11.6
548.16632	1.5
610.14850	21.3
611.15479	3.4
673.19128	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03187	1.0
57.03452	13.9
59.01367	1.0
61.98824	0.7
65.03964	0.9
67.01012	0.5
69.03455	0.9
71.01372	0.8
78.71740	0.5
78.95914	0.7
81.03464	2.1
81.76408	0.6
83.01399	3.9
93.03449	3.0
95.01398	1.4
95.05051	1.7
96.96017	0.9
97.02962	3.7
101.02506	0.7
107.05047	0.9
108.02202	1.4
109.02957	14.4
121.02973	4.6
122.03743	1.8
123.04539	10.9
124.01658	1.6
125.02457	100.0
126.02817	2.5
130.04243	0.6
131.05040	1.1
132.02132	1.0
133.02972	2.4
135.04515	2.3
137.02454	23.6
138.02919	0.7
139.04016	2.0
145.02975	1.1
146.03761	0.9
149.02454	5.5
150.03214	2.2
151.04027	9.2
155.10822	0.6
157.06612	0.8
159.04503	3.5
160.01706	1.8
160.05333	0.7
161.02420	5.6
161.06120	3.5
162.03268	1.6
163.00410	3.9
163.04022	2.6
164.01176	6.3
165.01941	11.5
166.02415	0.9
167.03453	1.6
171.04538	0.9
172.05365	1.3
173.04712	0.6
173.06084	2.2
174.03203	1.0
174.06865	1.0
175.04024	8.5
175.07658	1.6
176.01134	1.0
177.01918	7.6
177.05585	1.2
179.03552	3.2
185.06010	1.0
187.04047	5.7
187.07599	1.3
188.04768	2.5
189.05553	1.2
190.02829	0.7
191.03365	0.7
191.05644	0.8
193.05215	0.6
194.65579	0.6
199.04022	2.6
199.07718	1.0
200.04802	1.8
201.05544	1.7
202.06329	1.5
203.03513	0.7
203.07144	8.9
205.01445	4.1
205.05051	4.7
209.04420	0.8
211.03966	1.2
212.04956	0.6
213.05608	1.8
214.02740	0.6
215.03514	1.5
215.07156	1.6
217.05057	1.1
217.08710	3.4
217.10538	0.5
218.75281	0.6
221.08249	1.1
225.05637	0.8
227.03593	1.8
227.07132	2.1
228.04318	2.4
229.05112	2.9
229.08617	1.4
230.05780	0.8
231.02962	1.2
231.06529	0.6
234.14935	0.6
237.05392	0.6
239.07072	1.1
243.02992	2.0
245.08224	8.6
247.06096	1.5
255.02986	7.2
255.10207	1.1
256.03864	4.0
257.04636	1.1
257.08194	9.9
258.08810	1.0
269.04877	0.9
271.06143	0.8
273.04044	3.3
281.04605	2.2
281.08200	1.9
283.02502	1.5
285.04172	2.7
285.07053	0.6
285.17346	0.8
286.04874	2.0
287.05405	0.6
288.02817	0.7
289.07196	42.6
290.07581	3.6
297.04184	1.1
297.11511	1.0
298.04831	0.8
328.05988	1.0
329.06796	4.6
339.08737	2.7
339.12445	0.9
341.06647	1.1
341.10431	2.1
365.10400	1.4
367.12003	0.8
381.09796	1.6
383.11386	16.0
384.11676	1.4
385.12946	0.9
395.11389	6.2
407.07748	42.3
408.07983	4.6
425.08789	14.7
426.09293	1.5
440.93146	0.6
450.09717	1.4
485.16150	2.0
521.14813	2.2
529.15143	2.2
547.16113	8.6
548.16840	1.9
673.18866	4.2
674.19348	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03186	0.9
57.03454	17.0
64.49184	0.7
64.68802	0.7
69.03445	0.7
71.01375	0.7
71.31361	0.7
77.03943	0.6
81.03464	2.1
83.01401	4.1
86.99699	0.7
89.02459	1.1
93.03467	2.8
95.01398	1.2
95.05041	1.6
96.95994	1.2
97.02970	3.6
99.87410	0.7
107.04999	1.6
108.02193	1.0
109.02966	15.9
109.03707	0.9
119.05036	1.2
121.02932	4.9
122.03726	1.3
123.04549	11.0
124.01679	1.0
125.02458	100.0
126.02770	4.5
131.03491	0.7
132.02138	1.1
133.02963	2.1
135.04524	2.0
135.96028	0.6
137.02457	24.7
139.04015	2.3
145.02946	1.4
146.03763	1.0
149.02443	5.5
149.05998	0.8
150.03232	2.1
151.04027	10.7
159.04541	2.6
160.01694	1.6
160.05334	0.9
161.02451	5.0
161.06119	3.7
162.03160	1.2
163.00389	3.2
163.04002	3.3
164.01176	6.5
165.01950	12.2
165.05560	0.9
167.03555	2.5
173.06078	1.6
174.03267	1.6
175.04010	7.5
175.07639	2.2
176.04701	0.9
177.01924	8.2
177.05579	0.6
178.02576	1.1
179.03563	5.3
179.93477	0.6
185.06053	1.4
187.04050	7.1
188.04816	2.8
189.05542	1.4
191.05710	0.7
199.04015	3.1
199.07622	0.7
200.04782	2.2
201.05550	1.3
202.06403	1.5
203.03502	0.9
203.07182	7.1
205.01466	4.2
205.03427	0.9
205.05075	6.7
209.04561	0.8
211.04037	1.1
212.04884	0.7
213.05594	1.9
214.06224	0.8
215.03487	1.5
215.07098	1.2
217.05264	1.1
217.08694	3.8
219.03036	1.1
221.08250	1.7
225.05501	0.8
226.06216	0.8
227.03545	2.3
227.07156	1.7
228.04356	3.2
229.05067	2.8
229.08693	1.7
231.02959	1.3
239.07179	1.7
243.03053	2.4
245.04416	1.0
245.08237	8.1
246.08722	0.8
247.06042	1.7
247.09761	0.8
252.04236	1.2
255.03049	6.7
256.03821	3.6
257.04541	1.8
257.08224	9.5
258.08609	0.7
271.06317	0.9
273.04068	3.5
281.04578	1.9
281.08237	2.2
283.02573	1.9
285.04089	1.9
285.07446	1.0
286.04837	2.7
287.05377	1.1
289.07199	46.2
290.07553	4.2
297.04178	0.9
321.11514	0.9
329.06741	4.3
339.08850	3.2
340.09222	0.9
341.10327	0.8
365.10406	1.3
367.11954	1.0
381.09735	2.0
383.11398	15.1
384.11877	2.2
385.13055	1.9
395.11475	5.4
407.07739	44.8
408.08069	5.1
425.08820	14.2
426.09241	2.1
450.09436	1.1
485.16226	1.8
503.14053	0.7
521.14587	2.4
529.15253	2.7
547.16144	9.9
548.16364	2.0
673.18896	4.7
674.19287	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40776	0.3
59.01377	1.3
68.99578	78.1
69.06332	2.3
71.01381	0.9
73.02968	0.4
81.03487	0.5
83.05022	1.7
84.02200	0.4
85.02970	0.4
87.00827	0.4
89.02468	0.8
95.05037	0.3
98.21824	0.7
101.02457	0.8
108.68430	0.3
112.98578	100.0
113.98917	0.8
121.11907	0.3
122.05942	0.3
149.04436	0.4
161.04425	0.4
163.11330	2.1
165.12836	1.0
167.29828	0.3
171.10277	1.2
172.35950	0.3
191.10872	0.5
209.11844	44.7
210.12222	1.9
227.12915	6.2
235.08191	0.8
247.13391	0.7
253.09238	2.5
254.09492	0.4
445.20673	0.5
499.20743	0.4
626.35638	0.3
637.31702	0.5
673.20679	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82591	0.4
59.01379	0.9
68.99577	92.3
71.01388	0.9
71.29836	0.6
78.95912	0.7
89.02460	2.5
96.96019	14.1
96.96998	1.3
108.87910	0.4
112.98576	100.0
113.98925	1.1
125.02416	0.6
136.05299	1.7
151.03966	0.4
165.01866	0.6
165.09200	1.3
289.07187	0.7
421.29785	0.5
466.32382	0.6
511.25412	1.5
673.37793	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13744	2.9
58.86184	3.2
59.01382	100.0
61.98838	76.1
62.60286	2.4
65.26764	3.3
70.58082	5.9
99.04524	57.4
99.05124	5.0
115.79955	2.6
123.77401	3.4
137.86711	2.6
157.86317	3.2
170.88364	3.0
188.76309	3.0
268.82925	3.0
270.28305	3.2
531.22815	3.1
628.62341	3.2
673.96863	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01700	1.6
61.98821	2.8
70.16594	0.9
71.29148	1.0
74.99730	0.9
78.95891	1.7
86.14845	0.9
96.95991	1.5
99.04525	13.3
102.83847	1.1
104.35704	0.9
126.37294	0.9
159.22784	0.9
160.84212	5.3
162.83949	2.6
172.20245	0.9
216.18045	0.8
305.52100	0.9
308.94711	0.9
317.54791	1.0
451.21255	1.8
498.69186	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	47.7
61.98816	24.2
69.42134	26.5
71.05016	11.9
73.02915	14.2
91.15161	7.1
91.65299	7.7
98.22543	9.3
99.04527	100.0
125.06081	26.7
127.03968	10.4
127.07658	99.8
129.09229	18.6
145.05101	40.3
171.77501	8.7
173.08186	23.7
179.89149	7.2
211.13412	10.3
221.13254	9.5
263.14438	7.6
281.15485	16.8
285.11411	12.9
297.15021	11.5
305.15561	16.8
323.12796	15.8
325.14670	12.3
341.13660	9.3
389.21344	19.0
407.22394	18.6
433.20288	39.0
448.17026	8.4
451.21490	48.1
487.23184	7.8
495.20334	11.7
513.21295	29.3
531.22369	17.7
573.15155	9.5
573.23279	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	0.4
59.01376	4.6
61.98838	0.6
63.42645	0.3
68.99577	7.9
71.01380	2.8
73.43464	0.4
80.02669	1.0
81.03457	1.4
83.01363	0.3
83.05024	4.6
83.95776	0.4
84.02200	0.4
87.00869	0.5
89.02431	2.1
95.05032	0.8
101.02422	2.1
112.97779	0.4
112.98573	7.6
113.02458	1.1
119.03542	0.4
125.06078	0.8
125.09772	0.5
128.90182	2.2
129.46729	0.4
130.42969	0.3
135.08212	0.6
141.01735	0.4
149.04570	1.5
149.09760	0.4
151.17883	0.4
161.04549	1.0
163.11270	3.3
165.12866	2.0
171.10275	3.1
181.12372	0.7
191.10765	0.9
199.13419	0.6
209.11839	100.0
210.12154	6.4
221.11787	0.4
227.12892	14.0
228.13251	1.1
235.08264	1.5
237.14748	0.5
247.13483	1.1
253.09300	6.1
254.09547	0.4
265.14343	0.4
267.10345	0.4
325.50919	0.4
401.23428	0.5
419.24445	0.6
445.20938	0.6
463.21936	0.8
637.32355	0.9
655.33557	0.4
673.41504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
57.23824	0.2
59.01367	1.9
69.06824	0.3
69.07224	2.1
71.01390	1.7
71.05029	0.3
73.02921	0.3
80.02671	0.9
81.03455	1.2
83.01381	0.3
83.05027	3.8
84.02170	0.7
85.02942	0.4
87.00851	0.5
89.02444	1.1
95.05020	0.7
97.06607	0.3
101.02446	1.4
108.85943	0.2
109.06599	0.4
113.02460	0.8
119.03549	0.4
125.06085	0.6
135.08176	0.8
161.04552	0.5
163.11298	3.7
165.12851	2.2
171.10255	2.2
179.05635	0.2
181.12354	0.3
185.11884	0.3
187.61208	0.2
191.10818	0.9
209.11830	100.0
210.12186	5.6
221.11818	0.3
227.12883	12.4
228.13292	0.6
235.08253	1.7
247.13385	1.4
248.04521	0.2
253.09296	6.1
265.14496	0.6
357.23959	0.3
401.23514	0.3
445.20782	0.8
467.76096	0.3
508.75491	0.3
530.96191	0.3
544.52106	0.2
593.29993	0.3
611.30518	0.3
637.32233	0.8
655.33380	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22134	0.6
55.01872	0.7
57.03447	5.8
59.01378	3.7
61.46139	0.6
61.98823	4.3
69.11253	0.6
69.25379	3.0
69.25811	2.6
71.01391	2.4
73.02972	0.9
79.56778	0.6
81.03477	1.6
83.01404	1.1
85.02970	1.8
89.02451	2.0
93.03453	1.5
95.01425	0.7
95.05055	1.8
96.96025	4.9
97.02956	1.8
99.04510	1.0
101.02456	1.4
109.02934	4.9
109.06608	1.3
111.04560	0.9
116.92892	1.3
120.77958	0.6
121.02972	2.0
121.06596	2.3
122.03728	2.2
123.04517	3.9
123.08168	1.3
124.01671	0.9
125.02454	36.7
126.02847	1.0
133.02988	0.8
135.04536	3.0
135.08194	1.3
136.05310	35.9
137.02440	11.8
137.05714	1.0
139.04054	0.8
147.08188	0.9
148.05283	1.1
149.02493	2.4
149.06094	7.3
150.03197	1.3
150.06927	4.7
151.00417	0.7
151.04027	2.0
151.07553	0.7
153.09300	0.7
159.04482	0.7
161.02455	10.7
161.06097	1.4
162.03281	0.6
162.06876	2.4
163.00388	1.1
163.04071	1.6
163.07634	2.4
164.01151	4.3
164.04877	0.9
164.08386	4.2
165.01953	8.0
165.09218	23.7
166.09544	1.8
167.03499	0.7
173.06146	1.1
175.03949	2.4
177.01967	1.8
177.09123	1.0
179.03542	1.7
179.10799	1.1
187.03995	2.5
187.09776	0.7
191.05682	1.1
193.08846	0.9
201.05632	1.1
201.12910	1.1
203.07173	2.3
204.11537	2.5
205.01437	1.5
205.05026	2.2
207.10272	0.7
209.11838	14.5
210.12276	0.9
215.07143	0.9
219.13893	2.4
227.07156	0.8
227.12854	1.9
229.05080	1.3
245.04448	1.3
245.08237	3.3
255.03041	2.9
256.03491	1.1
263.12921	8.1
269.04477	1.2
273.04059	2.0
283.02286	0.9
285.04160	1.5
287.05582	3.4
288.06424	2.2
289.07199	19.1
290.07687	1.8
299.05670	1.3
301.11188	2.4
345.22861	6.7
364.12003	4.1
383.11465	1.2
385.13235	1.1
407.07858	1.8
432.28876	0.7
450.29776	1.5
460.36688	0.7
463.31223	1.3
464.31552	0.8
465.32254	13.0
466.32626	2.3
492.31061	0.8
493.32077	3.4
494.31863	0.9
503.14352	0.9
510.32248	2.3
511.32587	25.5
512.32745	4.3
521.14752	2.4
522.15082	0.8
547.16235	1.1
673.38037	100.0
674.21552	0.9
674.38361	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3808
Annotation	TRICHODEPSIPEPTIDE B
Peak:m/z	Relative Intensity
50.28053	0.8
57.03444	1.1
59.00570	0.7
59.01378	0.9
69.41074	6.1
71.01371	1.4
71.40863	0.8
85.02953	1.3
95.05013	0.8
96.96030	4.3
103.51480	0.7
107.05065	0.8
109.02971	1.9
109.06576	1.1
111.04501	0.9
121.06653	1.2
122.03761	1.1
123.04555	1.3
123.08170	1.5
125.02438	4.9
135.04541	2.8
136.05312	36.3
137.02451	2.4
137.05711	1.5
146.77179	0.8
147.08163	1.0
149.06102	7.0
150.06888	4.0
151.04063	0.8
153.09258	1.1
161.02545	1.2
162.06886	2.1
163.07664	1.7
164.01125	1.0
164.08452	3.2
165.01926	1.2
165.09224	27.4
166.09625	1.8
177.09276	1.0
179.03496	1.0
179.10817	1.6
205.05031	1.8
209.11862	4.9
227.12929	1.0
245.08141	1.3
289.07202	8.8
345.22867	5.1
407.07971	1.2
432.28995	0.9
447.30823	1.1
450.29932	1.1
465.32239	11.6
466.32410	1.0
492.30862	1.2
493.31848	4.3
510.32025	2.6
511.32535	26.1
512.33423	3.4
673.38031	100.0
674.38300	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.0
59.01373	1.9
60.28140	0.6
61.98841	1.1
70.54557	0.8
70.54926	1.7
71.01388	1.1
75.66412	0.6
78.95924	0.8
79.95729	0.8
85.02964	0.8
94.98096	3.0
96.96025	10.7
96.96985	0.7
99.04533	0.8
103.77563	0.6
103.92075	0.7
111.04558	0.9
113.02486	0.7
121.06584	1.5
122.03703	1.2
125.02475	1.7
127.87074	1.2
135.04578	1.6
136.05316	38.3
137.05864	1.2
144.87332	1.3
147.08124	1.2
149.06100	5.3
150.06879	4.7
151.07661	1.1
159.86029	1.0
162.06818	1.3
163.07666	1.6
164.08473	3.6
165.01895	0.8
165.09216	28.6
166.09566	1.7
179.06989	0.8
179.10857	0.7
198.88515	0.6
203.15257	0.6
205.08818	1.0
209.11908	0.9
224.89978	1.7
262.82199	0.6
289.07028	1.2
307.19324	0.9
345.22769	6.8
432.28882	0.8
446.76718	0.6
447.31213	1.6
448.94269	0.6
450.30048	1.5
464.31580	1.0
465.32233	13.7
466.32495	1.5
492.31021	1.4
493.31619	3.6
494.32626	0.8
510.32123	3.4
511.32736	29.2
512.33026	3.8
536.08813	0.6
673.12781	2.0
673.38055	100.0
674.38531	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.98553	0.2
69.07389	1.1
77.75401	0.1
81.14445	0.1
158.47733	0.1
209.11925	0.3
210.12283	0.2
255.18961	0.1
399.24777	0.1
648.37274	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
61.98835	100.0
62.98541	0.2
78.95920	0.3
81.95915	0.1
141.86874	0.2
143.86595	0.3
157.86269	0.1
160.84319	0.3
161.87642	0.1
162.83937	2.3
164.83595	0.1
178.83464	1.0
204.54909	0.1
209.11899	0.4
210.12379	0.2
244.12938	0.2
594.85876	0.2
631.28491	0.3
678.23505	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.5
61.98837	100.0
70.40878	0.5
89.35426	0.5
99.04533	2.4
109.02997	0.5
137.06151	0.9
146.03482	0.5
167.32263	0.5
278.77859	0.5
588.67346	0.7
674.28717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52817	3.0
59.01383	8.2
61.98835	30.6
71.01380	10.1
71.31931	2.6
78.95890	3.5
84.00912	5.8
85.02934	5.0
89.02453	9.3
99.04524	48.4
101.02469	6.3
108.50744	2.9
113.02464	8.2
119.03521	5.5
121.02988	3.5
123.04491	3.4
137.02501	2.6
141.05615	8.6
160.84248	5.9
161.04539	4.7
179.05574	4.3
198.97652	3.5
204.05205	5.3
209.11923	4.9
407.33157	5.2
451.32166	6.2
467.31424	9.8
468.31900	3.7
469.33221	100.0
470.33774	23.1
674.19904	3.1
674.39154	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04934	3.1
61.98820	10.5
66.01946	2.4
71.29189	3.7
76.70500	2.7
84.00893	3.4
92.92844	2.4
147.97731	2.4
201.81093	2.5
242.40346	2.8
275.39615	2.6
388.84143	3.1
469.33264	100.0
470.33566	18.7
512.35345	3.1
586.70270	3.4
631.38470	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	6.9
64.35353	3.9
70.85947	5.9
84.00912	4.6
93.37421	3.0
93.43696	2.9
96.44885	2.9
132.94040	3.1
144.92256	2.9
145.15581	3.6
154.16577	3.1
167.90262	2.9
204.05156	3.7
358.22348	3.4
361.32678	4.1
469.33258	100.0
470.33545	17.7
665.08099	3.6
674.38763	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
61.03632	0.2
67.45409	0.2
71.28824	0.3
73.90377	0.2
75.62672	0.2
79.95744	3.6
83.01373	0.4
85.02941	0.3
93.03444	0.4
96.96016	100.0
97.95909	0.2
109.02932	0.7
123.04543	0.7
125.02467	4.0
126.02660	0.2
129.16832	0.2
133.02975	0.4
137.02432	1.3
149.02428	0.4
151.03989	0.7
159.04541	0.2
160.00262	0.2
161.02475	1.1
161.06009	0.2
163.09637	0.2
165.01906	0.2
175.03981	0.4
177.01959	0.3
187.03984	0.3
189.01843	0.4
191.05611	4.8
192.05894	0.3
203.07118	0.4
211.70869	0.2
229.05052	0.3
231.03018	0.6
243.77226	0.2
245.04538	0.3
245.08150	0.5
255.02986	0.6
273.04025	0.3
285.03897	0.3
287.05643	0.4
289.07153	2.6
290.07437	0.3
299.05688	0.2
345.13184	0.2
353.08600	0.5
371.00903	0.8
407.07867	2.1
408.07919	0.3
425.08783	2.1
451.10443	0.7
463.03488	3.2
464.03586	0.3
489.05173	0.2
502.74622	0.2
577.13879	1.0
578.13873	0.3
615.08246	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.7
59.84657	0.3
64.04189	0.2
70.38962	0.4
70.39321	0.7
78.82351	0.3
78.95934	0.3
79.95743	3.3
81.98466	0.3
83.01385	0.3
96.96018	100.0
109.02961	1.2
123.04544	0.7
125.02448	6.1
137.02454	2.4
151.03993	0.9
161.02481	1.0
163.00325	0.4
163.03963	0.4
165.01903	0.4
171.50471	0.3
173.06102	0.4
175.03975	0.6
177.01944	0.4
187.03917	0.5
189.01949	0.5
189.59833	0.3
191.05623	2.6
202.39702	0.3
203.07137	0.6
205.04999	0.3
217.05016	0.4
227.03098	0.3
231.03050	0.9
245.08183	0.5
255.02989	0.6
259.06259	0.4
273.03955	0.4
287.05545	0.6
289.07141	3.2
290.07260	0.3
353.08728	0.4
371.00693	0.6
385.73566	0.3
389.00528	0.3
407.07764	3.1
421.02490	0.6
425.08847	2.8
426.09177	0.4
451.10425	0.9
463.03494	5.5
464.03790	0.6
481.04041	0.3
489.04919	0.4
577.13531	1.9
615.08331	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.4
60.56776	0.3
62.27679	0.4
68.99557	1.0
71.05400	0.3
71.29276	0.3
82.79176	0.3
92.10636	0.3
96.96006	0.7
99.92599	10.6
100.92590	0.5
112.98583	1.3
114.93436	0.9
116.92876	100.0
117.92889	6.0
123.57500	0.3
125.02462	0.4
131.03471	0.4
509.62778	0.3
575.20300	0.4
675.35126	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.5
66.75070	0.2
68.46600	0.2
68.99565	0.3
76.27111	0.2
82.95399	0.2
99.92593	10.0
100.92608	0.6
114.93398	0.2
116.92873	100.0
117.01967	0.4
117.92881	5.7
125.02489	0.2
143.26132	0.2
146.05048	0.2
177.03365	0.3
209.11787	1.6
210.12169	0.9
211.12431	0.3
227.12991	0.2
228.13274	0.2
264.17627	0.2
376.80862	0.2
569.77472	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92157	17.2
61.98826	72.3
69.87994	100.0
70.81766	18.2
78.95932	27.3
80.77679	18.2
98.22488	31.3
110.53289	22.3
121.02949	43.7
152.33057	18.6
162.84007	21.0
174.58379	21.2
215.21260	24.2
252.69839	21.4
271.90195	24.8
360.83591	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01917	1.6
69.20702	5.6
69.21120	5.5
71.01392	1.9
81.03461	1.6
83.05035	1.9
85.02954	5.7
87.00914	1.6
93.03468	20.7
96.96019	22.3
98.22510	2.9
101.07191	1.3
109.03018	1.4
111.04483	6.4
113.83787	1.5
119.05038	42.0
120.05431	1.5
127.04041	2.0
137.02435	3.3
141.71294	1.2
143.05005	3.1
145.06587	2.1
155.03532	8.1
163.04016	54.4
164.04388	2.8
173.04581	59.3
174.04939	2.4
191.05627	63.4
192.06053	3.3
195.04408	1.8
225.75354	1.5
232.92834	1.3
237.09164	11.5
239.10783	4.0
265.08643	3.8
283.09735	17.5
284.10117	2.9
315.95078	1.4
316.41318	1.5
327.08759	100.0
328.09097	7.2
337.09274	18.3
338.09735	1.7
501.14127	24.5
502.14194	3.6
664.23621	1.7
675.19470	15.1
676.19568	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
59.01368	2.0
60.99299	0.6
61.61997	0.7
67.01888	1.2
67.52822	0.6
69.03427	0.6
71.01387	1.7
71.28860	1.2
71.84664	0.6
81.03460	0.8
83.04372	0.6
83.05013	1.3
83.40427	0.6
85.02951	9.0
85.40208	0.6
87.00882	2.4
93.03465	17.3
96.96033	3.0
99.04501	0.7
99.24607	0.6
109.02958	2.5
111.04526	5.0
119.05040	40.1
120.05377	1.5
121.03023	0.8
125.02462	0.7
127.04026	2.4
129.01883	0.8
132.05760	0.8
137.02489	1.4
143.05029	1.9
145.06622	1.3
155.03540	4.6
163.04021	37.3
164.04355	1.4
173.04558	28.6
174.04889	1.2
191.05626	100.0
192.05972	4.9
231.39539	0.6
237.09242	7.6
238.09698	0.7
239.10791	2.8
253.08806	0.9
256.91068	0.6
265.08780	1.8
283.09772	7.7
327.08755	54.3
328.09048	5.1
337.09338	8.8
338.09772	1.1
416.40100	0.7
457.15222	0.9
483.13144	0.9
501.14041	15.1
502.14478	2.6
533.06110	0.8
675.08527	1.2
675.19379	17.6
676.19623	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35313	0.2
55.25171	0.1
57.03454	0.3
59.01378	1.2
64.06137	0.2
65.79810	0.2
67.01900	0.4
69.00674	1.1
69.01099	0.8
69.03440	0.2
71.01382	0.8
73.02940	0.4
81.03458	0.3
81.95166	0.2
83.05032	0.6
85.02954	9.9
87.00880	1.9
93.03461	5.0
96.96015	4.3
99.04520	0.2
106.04279	0.2
109.02950	0.9
111.04536	1.6
117.03438	0.2
119.05037	8.4
120.05387	0.3
125.00876	0.2
125.02457	0.5
127.04031	2.0
137.02446	0.6
143.03529	0.2
143.05049	0.5
145.06615	0.4
151.91505	0.2
155.03497	0.6
163.04015	6.3
171.02957	0.6
173.04558	3.6
191.05623	100.0
192.05949	3.7
211.07655	1.0
223.06094	0.2
237.09224	0.7
239.10858	0.3
265.08701	0.5
283.09735	1.0
289.07169	0.7
309.07828	0.3
327.08743	9.6
328.09021	0.9
337.09338	0.8
467.34210	0.2
501.13889	1.9
502.14676	0.3
675.19385	3.7
676.19537	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19726	0.7
55.55529	0.8
59.15429	0.7
69.55194	2.6
69.55620	2.7
69.88950	0.7
71.01395	1.5
76.36234	0.8
83.05029	2.9
85.02964	6.7
85.42927	0.8
87.00859	1.9
93.03466	14.2
96.96017	2.5
109.02963	2.0
109.53989	1.0
111.04549	7.1
114.52233	0.8
117.03447	1.1
119.05038	100.0
120.05367	4.3
121.02968	1.3
123.04472	1.1
124.75729	0.8
127.04038	1.7
132.05824	1.4
137.02472	1.8
143.05020	2.1
153.85768	0.8
155.03517	8.0
163.04022	85.7
164.04428	3.1
173.04558	25.1
176.04755	1.6
191.05624	42.4
192.06047	1.2
205.04877	0.9
223.07742	1.7
237.09224	11.7
238.09772	2.4
239.10832	4.8
253.08670	1.9
283.09689	6.8
284.09729	0.8
289.07245	3.0
309.07547	0.9
327.08759	84.7
328.09082	6.2
337.09308	17.5
337.13174	1.7
338.09814	1.1
457.15329	1.5
483.13544	1.2
501.14093	23.0
502.14532	3.3
577.01831	1.0
675.19263	36.1
676.19513	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.6
59.01390	3.3
67.01879	2.0
69.21359	11.7
71.01385	3.9
74.65758	1.4
79.37369	1.1
81.03468	1.8
83.05025	2.6
85.02964	12.8
87.00893	2.1
93.03464	24.0
96.96021	4.5
97.02980	1.9
98.21722	1.6
101.02439	1.7
109.02972	5.4
111.04527	9.2
117.03537	1.7
119.05040	79.3
120.05425	2.7
121.02961	1.9
123.04497	1.5
123.47058	1.3
125.02473	3.7
129.01942	3.8
131.05136	1.6
134.03737	2.0
135.04538	1.7
137.02444	5.0
143.04982	5.7
145.06612	2.5
155.03477	8.9
159.04527	1.6
163.04021	78.8
164.04364	4.3
168.94319	1.1
173.04559	69.9
174.04921	2.1
179.03624	1.7
191.05620	52.2
192.05910	1.8
193.05135	2.5
203.07166	2.3
205.04990	1.7
211.07664	2.2
223.03958	1.3
223.05890	2.1
223.07820	2.9
237.09180	16.0
238.09677	1.5
239.10786	5.8
245.08214	2.5
253.08772	2.7
265.08743	5.2
283.09747	21.1
289.07202	11.0
297.28091	1.4
309.07761	4.7
327.08749	100.0
328.09152	12.6
337.05713	2.9
337.09360	22.9
338.09711	2.5
367.10120	1.8
499.53619	1.8
501.13980	26.5
501.20865	1.9
502.14313	4.4
542.98145	1.5
675.19116	23.5
676.19318	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28687	0.5
53.87743	0.6
57.03461	0.8
59.01388	1.4
61.38239	0.5
65.16921	0.6
67.01891	1.8
69.46159	2.8
69.46563	1.5
71.01383	2.1
81.03457	0.9
83.05028	0.9
85.02958	7.7
87.00880	3.9
93.03468	25.9
94.03812	0.8
96.99329	2.2
109.02989	1.0
111.04528	3.9
113.02489	0.6
115.00421	1.1
117.03494	0.8
119.05028	15.7
119.05828	0.9
120.05379	0.9
123.04563	1.1
127.04023	1.7
128.48776	0.7
129.01888	0.7
130.04262	0.7
131.05028	2.5
133.02977	3.8
137.02480	1.2
143.05048	13.1
144.05266	0.9
145.02962	2.1
155.03551	2.7
159.04359	0.6
163.04024	9.5
171.03091	0.8
171.04535	2.4
173.04562	20.4
177.01958	0.9
191.05624	97.1
192.05978	4.6
211.07671	4.9
221.09625	0.7
223.07553	0.9
233.04684	0.8
235.07617	3.0
237.09184	6.8
239.10715	0.9
265.08688	19.3
266.09045	1.7
268.88763	0.6
277.03506	1.6
283.09775	1.5
309.07617	7.6
310.07922	1.2
327.08743	100.0
328.09067	11.1
337.09274	7.7
338.09821	0.9
352.16992	0.6
501.14102	10.8
502.14267	1.7
532.54944	0.7
560.98102	0.7
582.25891	0.6
675.19446	11.5
676.19531	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30002	0.5
55.83340	0.5
57.03448	0.7
58.42368	0.5
59.01378	1.8
59.48563	0.5
61.38230	0.5
67.01886	1.0
69.02073	5.8
71.01378	2.1
80.51802	0.5
85.02958	9.5
87.00873	1.9
93.03462	13.0
94.03834	0.5
96.96021	4.3
96.99313	1.1
109.02948	1.5
111.04516	2.2
119.05036	11.8
125.02480	1.1
127.04027	1.9
131.05019	1.0
133.02988	1.2
137.02437	1.7
143.05031	5.7
145.02951	1.1
155.03511	1.8
163.04018	10.4
171.04514	0.9
173.03101	1.1
173.04568	17.5
174.04854	0.7
191.05626	100.0
192.06044	3.6
193.05116	0.9
211.07755	2.9
229.05032	2.8
235.07680	1.0
237.09177	2.1
239.10767	1.0
265.08752	7.3
266.09064	0.8
283.09827	1.8
309.07675	2.3
327.08774	46.7
328.09216	4.2
337.09314	3.8
338.09723	0.6
483.12817	0.7
501.14087	7.2
502.15027	0.6
675.18732	3.5
676.19489	0.7
703.45313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
57.98676	0.2
59.01382	0.6
61.68906	0.2
67.01873	0.4
69.00864	2.2
71.01383	0.5
79.95743	0.7
83.05007	0.3
84.15198	0.3
85.02956	5.9
86.00180	0.3
87.00895	1.2
89.23813	0.2
93.03461	3.0
96.96017	23.4
109.02960	1.0
111.04536	0.8
119.05038	1.1
125.02478	1.9
127.04031	1.7
137.02440	0.6
145.02972	0.7
161.02504	0.5
163.04019	1.3
171.03041	0.4
173.04523	1.7
191.05623	100.0
192.05975	3.7
259.83997	0.3
289.07086	1.3
315.93851	0.2
337.09317	23.9
338.09650	2.0
362.83417	0.3
407.07788	0.7
425.08798	0.6
463.03784	0.5
615.07996	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36530	0.7
55.93595	0.7
57.03441	1.5
59.01372	1.5
69.00463	1.1
69.00862	7.5
71.01378	1.6
79.01275	0.8
81.03497	1.2
83.01405	1.1
85.02961	11.8
93.03467	26.1
94.03757	0.8
96.96011	3.1
96.99320	2.6
97.02940	1.6
98.22475	1.6
102.58335	0.7
109.02971	5.9
111.04530	1.7
117.03439	1.0
119.05030	24.5
121.02979	2.0
123.04517	4.0
123.20038	0.7
125.02465	5.4
131.05042	3.2
133.02997	2.3
135.04575	1.1
137.02451	4.9
139.04010	1.2
143.05034	11.7
145.02954	4.2
145.06596	2.6
147.03090	1.4
147.04362	0.8
149.02431	6.4
151.03984	2.7
152.01128	1.3
155.03513	2.1
161.06114	1.6
163.02747	1.5
163.04025	20.8
164.01100	1.1
164.04814	5.0
165.01883	1.2
171.04460	1.1
173.04565	10.9
173.06096	1.1
179.03526	2.4
179.07082	1.5
187.04012	1.2
188.04817	1.0
191.01993	12.8
191.05626	18.7
193.01402	3.7
203.07092	3.6
208.03777	7.5
211.07629	3.3
223.06108	22.9
224.06383	1.3
235.07668	1.6
237.09274	4.3
239.10754	4.0
245.08183	4.5
265.08716	13.1
283.09760	2.2
287.42422	0.9
289.07211	24.5
290.07523	2.4
309.07794	2.6
327.08755	100.0
328.09036	8.3
337.09232	1.1
385.11279	4.1
501.14087	17.0
502.14694	1.7
519.76630	0.8
675.19379	10.9
676.19519	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	11.4
57.46888	0.7
58.84684	0.8
59.01389	1.7
61.98813	0.9
67.01865	0.8
69.41103	5.2
71.01380	0.8
78.11867	0.7
79.95781	0.9
81.03468	1.8
82.95423	1.0
83.01396	5.0
93.03476	2.6
94.98080	1.6
95.05042	2.4
96.96007	8.4
97.02971	4.4
107.05058	1.8
108.02217	1.5
109.02971	16.9
111.08205	0.9
121.02969	3.7
122.03757	1.7
123.04533	12.5
124.01687	0.9
125.02459	100.0
126.02769	4.2
133.02960	3.3
135.04556	1.6
135.08173	2.4
137.01462	1.5
137.02467	19.8
137.03522	1.1
137.06084	1.0
138.02806	0.8
139.04044	3.9
145.03027	0.9
146.03719	1.1
147.04533	1.6
149.02441	4.0
150.03162	1.2
151.04019	10.3
159.04527	2.8
160.05197	0.8
161.02457	20.5
161.06097	4.0
162.03084	3.2
163.00363	1.6
163.04013	4.1
163.07629	0.9
164.01167	4.3
165.01929	8.1
167.03529	1.0
173.04593	1.8
174.03271	1.1
175.04034	6.7
175.07619	1.9
177.01941	3.3
177.05550	0.9
178.02759	0.7
179.03587	4.0
179.07153	16.0
180.07481	1.2
185.06133	1.3
187.04007	5.3
188.04782	2.9
189.02051	1.8
189.05533	1.5
190.02670	1.2
191.03540	1.2
191.05634	2.3
191.07213	2.6
201.05615	2.3
202.06305	1.3
203.03540	2.7
203.07141	9.1
205.01501	1.4
205.05083	5.6
205.08827	0.8
213.05420	1.0
215.03456	1.1
219.03433	0.9
219.06630	7.4
221.08148	1.8
223.09763	31.2
224.10097	1.4
227.03474	1.0
227.07191	1.5
228.04294	0.8
229.05003	1.2
229.08662	0.8
231.02979	1.3
231.06729	0.8
235.09816	0.9
241.05174	0.9
243.02927	0.9
243.06503	0.9
244.03929	0.8
245.04640	2.4
245.08192	10.4
247.06078	1.8
253.04877	1.0
255.02997	2.2
256.03735	1.1
262.08527	1.7
263.09232	1.9
269.04694	1.7
271.02676	0.7
271.06427	1.5
273.04144	1.1
273.11383	0.9
281.04529	2.0
283.09744	0.9
285.04080	0.9
287.05670	6.1
289.07208	60.5
290.07523	6.1
297.08090	0.8
299.05667	5.0
309.07523	1.3
329.06519	1.5
339.08826	2.1
341.10242	1.2
343.11917	2.0
371.11359	5.7
381.09784	1.2
385.12915	20.4
386.13290	3.0
407.07608	8.7
409.08603	1.0
425.08655	1.4
451.10394	11.9
452.10480	1.0
461.11862	2.0
479.17554	0.9
505.15097	18.7
506.15326	3.6
513.17816	1.5
523.16211	21.5
524.16370	3.2
562.63867	0.8
577.12744	1.0
606.57947	0.8
675.20642	11.5
675.32281	1.4
676.21600	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	4.3
58.00596	2.4
59.01382	28.0
61.98835	11.4
69.01053	23.8
69.03457	1.9
71.01389	16.3
71.13179	1.9
72.99290	3.3
73.02933	5.2
75.00871	3.6
78.95901	4.5
80.17116	2.0
81.03448	2.8
83.01395	5.1
83.05003	9.0
84.02113	2.5
85.02922	8.8
87.00859	5.0
89.02437	11.6
93.03447	3.5
95.05038	3.1
97.06564	2.5
99.00864	2.8
101.02452	17.8
101.37637	2.5
109.02956	2.9
111.04499	2.4
113.02412	5.9
116.92829	9.3
119.03506	2.0
125.02403	8.1
125.09700	6.0
127.11317	2.4
137.02376	5.7
139.03978	4.7
139.07640	2.6
143.04547	2.4
151.03964	4.9
151.07634	7.4
161.04539	3.5
161.85236	2.1
163.11208	4.1
165.05600	2.9
165.12857	4.4
167.10751	3.9
169.12292	7.1
171.10234	8.4
185.11836	98.0
186.12134	4.4
197.11670	2.3
201.11255	3.5
209.11847	100.0
210.12231	17.9
211.12405	5.7
227.12900	22.5
228.13232	9.9
229.13167	3.4
241.12323	2.7
253.09166	9.3
289.07083	3.7
290.07404	2.2
291.04202	1.9
299.01831	8.3
300.02609	3.5
398.53699	2.1
513.28485	4.1
514.28943	2.9
578.12390	5.4
595.34589	2.9
603.29559	3.0
613.36670	5.9
631.39673	13.5
657.31085	5.0
675.31836	91.9
676.23889	1.8
676.32495	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16259	0.6
56.21276	0.6
58.82723	0.5
59.01390	6.3
61.98837	5.6
71.01385	4.5
73.02936	1.5
75.74074	0.5
81.39169	0.6
83.01379	0.9
83.05035	1.1
85.02934	1.9
88.26987	0.6
89.02448	3.3
96.96004	0.6
97.69324	0.5
98.22164	0.6
101.02444	3.9
109.02970	0.6
113.02472	2.1
115.37672	0.5
116.92862	2.3
119.03471	1.3
125.02493	0.7
165.39691	0.7
171.10306	2.7
179.05630	0.7
183.13982	1.1
184.50600	0.5
191.05606	1.3
197.11829	8.2
201.11275	1.3
209.11855	12.5
210.12169	3.1
211.13342	2.2
225.11279	1.0
227.12865	2.5
228.13235	0.9
235.08449	0.7
253.09351	1.4
297.24319	3.6
299.04837	0.6
313.23868	0.7
315.25421	10.1
316.25821	1.1
447.21487	0.7
453.35843	0.7
459.29645	2.1
477.30710	100.0
478.31070	15.1
501.31076	1.0
513.28601	0.7
675.34021	6.3
676.34467	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.2
55.01882	1.7
57.03452	1.6
57.72240	0.2
58.00602	1.8
59.01384	47.6
60.01727	0.6
61.98835	0.6
66.34216	0.3
67.01884	0.5
68.99837	0.5
69.03459	2.3
71.01388	44.2
72.01740	0.5
72.99315	3.5
73.02952	7.4
75.00877	1.0
78.95911	0.5
81.03459	2.3
83.01401	5.3
83.05044	0.7
85.02956	9.9
86.00127	0.4
87.00883	10.4
87.04519	0.5
89.02452	36.6
90.02784	0.6
91.04030	1.0
93.03459	0.5
95.01406	3.0
97.02959	7.9
98.22520	0.7
98.61245	0.2
99.00897	2.9
99.04531	0.6
101.02451	36.7
102.02792	0.7
103.00421	0.4
103.04018	0.5
109.02962	0.8
111.00896	0.6
111.04559	1.3
113.02459	17.5
115.04015	0.7
119.03511	12.3
119.65458	0.3
121.02960	0.9
121.82732	0.3
123.00941	0.4
123.04446	0.3
124.01669	0.5
125.02456	14.6
126.02807	0.5
127.03998	0.8
127.07699	0.4
131.03523	1.9
133.05092	1.2
135.04469	0.3
137.02536	0.5
139.04016	1.2
141.01958	0.8
143.03510	7.1
149.04565	1.0
151.04016	0.3
159.02957	0.3
161.04568	7.9
163.03850	0.3
167.03519	1.0
169.05089	0.8
179.05626	8.1
181.05057	0.5
185.04546	0.7
197.04665	0.3
199.06145	0.7
203.05612	0.4
209.43718	0.3
217.07191	1.5
219.05013	0.6
221.06674	2.9
224.27991	0.3
233.22722	0.5
235.08241	14.5
236.08606	0.6
245.04083	0.3
245.06703	1.3
246.28311	0.3
253.09322	4.3
254.09645	0.3
259.20648	0.7
263.07785	1.8
275.20181	0.5
277.09351	1.0
277.21738	100.0
278.22076	9.4
287.07782	3.3
291.23300	0.4
300.34204	0.3
305.08859	4.0
306.09018	0.3
323.09702	1.9
361.11270	0.7
379.12369	0.8
397.13519	77.7
398.13846	6.8
415.14587	35.2
416.14920	2.9
584.76654	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.3
58.00592	1.9
58.49871	0.7
59.01382	41.5
61.98838	3.8
65.47959	0.7
69.03453	1.6
71.01386	37.9
71.07967	0.7
72.01719	0.8
72.99309	3.6
73.02953	6.2
75.00890	1.2
78.95909	1.5
80.04647	0.6
81.03456	2.0
83.01379	4.4
85.02958	8.8
87.00882	9.5
89.02451	34.2
90.02824	0.8
91.04014	0.8
95.01378	3.0
95.38554	0.6
97.02952	6.5
99.00888	2.4
101.02448	32.4
102.02830	0.8
109.02963	1.3
111.04517	1.3
113.02460	14.7
119.03509	12.1
121.02996	1.0
123.56708	0.7
125.02451	12.4
131.03477	1.5
139.03937	0.8
143.03513	6.8
149.04573	1.4
151.04053	0.7
152.99623	1.1
161.04556	9.0
167.03479	1.1
179.05591	7.9
185.04555	1.6
199.06250	0.7
203.05664	0.9
207.91875	0.6
217.07104	1.1
221.06635	1.9
235.08244	13.8
253.09306	4.5
263.07727	1.7
277.09314	1.6
277.21735	100.0
278.22070	9.7
287.07681	3.2
305.08835	4.0
323.09991	1.5
379.12527	2.0
397.13516	80.8
398.13809	6.4
415.14578	37.9
415.20294	1.3
416.15030	2.2
436.07727	0.9
593.27148	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61657	0.2
58.13859	0.2
59.01382	28.7
60.01715	0.3
61.98853	0.4
69.19875	1.9
71.01388	1.8
72.99284	0.3
75.00885	0.3
75.44433	0.2
77.07541	0.2
81.09380	0.2
85.02526	0.2
85.02974	0.7
85.06611	0.5
89.02446	1.2
95.01445	0.2
97.37874	0.2
101.02457	2.3
113.02480	1.6
119.03519	1.6
133.97810	0.2
161.04572	0.8
329.03726	0.2
406.81326	0.2
453.33752	100.0
454.34106	19.9
467.35364	0.8
477.33429	0.3
495.34872	1.0
496.35184	0.3
547.32446	0.2
615.38861	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	18.0
69.11398	25.2
92.00401	2.6
99.04530	60.9
121.02966	100.0
122.86668	2.7
155.26581	2.5
165.75862	2.6
171.10257	4.1
211.13719	2.5
214.66295	2.7
282.43338	2.5
317.04587	3.2
346.04898	4.6
353.06772	2.8
361.07281	5.6
383.11389	3.3
411.11017	8.4
461.12576	11.6
708.76147	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69401	6.4
53.07380	5.7
53.07871	6.0
59.01370	10.2
61.98832	14.4
69.06462	16.0
69.06872	45.1
78.95885	7.5
108.91020	5.6
111.00926	5.7
114.32281	6.2
121.02969	18.0
168.50256	5.5
209.11749	7.2
236.20889	6.2
471.34796	100.0
472.34930	10.6
676.40558	11.6
698.49402	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63878	12.7
59.01376	12.8
61.98816	34.8
69.07014	100.0
69.07428	31.5
121.03024	15.9
151.42381	11.6
468.32385	17.1
470.33261	13.3
475.72125	16.7
535.26727	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58375	0.2
59.01382	1.1
61.98836	100.0
62.98548	0.2
71.01414	0.5
78.95954	0.4
82.03875	0.2
89.02476	0.4
101.02474	0.3
135.23265	0.2
152.99626	0.3
162.83994	0.3
188.72638	0.2
249.11804	0.2
277.21869	0.6
278.22226	0.6
377.52594	0.2
397.13727	0.4
646.93005	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79078	0.2
59.01376	0.3
61.98835	100.0
62.98541	0.3
67.23132	0.2
69.52231	0.4
69.52618	0.4
74.51205	0.2
83.16457	0.2
127.87054	0.2
159.86093	0.4
188.18433	0.2
198.15289	0.2
235.74084	0.2
274.91724	0.2
404.70090	0.2
449.38370	0.2
477.43674	0.2
651.81128	0.2
675.97412	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.3
61.98833	100.0
66.22287	0.2
69.52070	0.9
88.23680	0.2
90.90733	0.2
98.21853	0.3
127.87035	0.3
137.99889	0.2
154.42325	0.2
158.31998	0.2
159.86003	0.4
162.21829	0.2
173.10463	0.2
174.66512	0.2
224.44328	0.2
659.62756	0.2
675.97430	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.9
61.98843	25.5
62.92830	3.7
71.31780	5.8
78.95895	8.9
84.00894	4.6
96.35419	3.8
121.02959	12.5
162.83899	5.3
164.83676	8.4
201.59367	3.9
221.70926	3.9
257.32608	3.7
343.73093	3.7
471.28583	7.6
471.34839	100.0
472.35355	23.7
488.19244	4.7
633.39642	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38743	0.2
61.98825	0.9
69.23759	1.4
73.02949	0.3
75.00872	0.2
87.76138	0.2
88.41827	0.2
91.13126	0.2
96.96011	2.7
97.81975	0.2
98.22496	0.3
99.00839	0.2
99.92589	10.1
100.92640	0.2
114.93465	0.2
115.91981	0.3
116.92871	100.0
117.01943	0.8
117.92883	5.3
119.73560	0.2
151.04024	0.3
201.12715	0.3
204.11591	0.5
219.13899	0.5
227.03537	0.9
255.02969	1.6
256.03473	0.3
263.12909	3.0
264.13193	0.3
272.09094	0.2
284.03262	1.7
285.03891	0.4
340.82523	0.2
512.99750	0.3
635.15863	0.3
677.17444	0.9
678.17957	0.3
706.33282	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67993	0.1
64.12897	0.1
67.70084	0.1
71.41631	0.2
73.02950	0.5
75.00868	0.7
96.96027	0.3
97.38374	0.1
98.21749	0.3
99.00873	0.3
99.92592	10.2
100.92612	0.5
101.17340	0.1
109.02927	0.2
114.93430	0.4
115.33347	0.1
116.92872	100.0
117.01945	1.0
117.92885	5.1
125.02451	0.2
172.39543	0.1
227.82225	0.1
228.36877	0.1
255.03018	0.2
281.50830	0.1
284.03394	0.2
417.57480	0.2
447.29684	0.1
499.19052	0.2
677.35675	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54893	0.7
55.76779	0.8
59.01379	3.7
61.98833	1.5
68.36893	0.8
69.83819	2.5
69.84217	1.8
74.55418	0.7
82.95420	3.1
83.01402	1.0
93.03446	1.4
96.96005	6.7
98.21825	1.1
98.95557	1.0
101.02449	1.1
107.01401	2.6
108.02106	0.8
109.02905	1.3
116.92861	2.6
125.02447	3.2
132.02173	1.1
135.00925	1.2
151.00394	3.3
155.10812	2.4
163.00362	1.9
183.04434	1.7
185.06100	1.8
187.04048	2.3
199.04161	0.9
199.09721	1.9
209.64447	0.9
211.03952	2.5
227.03513	51.7
228.03937	4.1
229.05090	4.9
230.31792	0.9
239.03583	1.8
255.02997	90.3
256.03494	9.7
257.04590	4.3
268.03308	0.9
283.02573	1.2
284.03281	100.0
285.03998	42.4
286.04437	2.5
327.05090	1.7
447.09683	1.2
593.15295	1.4
617.15167	2.2
635.16156	19.5
636.16681	1.8
677.17218	74.3
678.17645	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48746	0.6
58.11921	0.5
61.05756	0.6
61.98814	0.8
63.02389	1.0
65.00317	0.7
65.02610	0.5
67.37609	0.6
82.95438	0.6
83.01386	0.7
93.03464	1.7
96.95995	0.6
99.79384	0.6
107.01369	2.8
116.92896	3.7
125.02383	1.1
131.05011	0.8
132.02167	1.4
135.00870	2.1
143.04971	0.8
151.00424	3.2
157.06569	1.0
159.04503	0.9
163.00391	3.1
167.04950	0.8
169.06619	1.1
171.04477	1.1
171.10298	1.3
183.04521	1.0
185.06026	2.5
187.04024	3.8
189.05556	1.2
195.04333	0.8
197.06055	0.8
199.03989	0.9
201.05611	1.1
211.04042	4.0
211.53064	0.6
213.05579	2.4
227.03506	52.3
228.03902	4.3
229.05069	12.0
230.05542	0.8
239.03488	1.8
240.04228	1.2
241.05072	2.0
243.02859	0.6
255.02992	86.6
256.03561	11.2
257.04568	8.1
267.02786	1.0
284.03275	83.3
285.04044	100.0
286.04419	7.1
289.07184	0.8
327.05225	2.9
446.86548	0.6
617.15259	0.8
635.16229	13.1
636.16846	2.6
677.17249	69.0
678.17615	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63814	1.5
57.03452	2.8
58.00595	4.7
59.01382	90.5
64.88824	1.6
68.28204	1.5
71.00862	2.7
71.01389	58.2
71.78869	1.7
72.99319	3.6
83.01136	4.6
85.02959	8.5
87.00877	3.2
89.02455	63.1
95.01402	4.0
96.96013	6.7
101.02452	27.9
107.03519	2.1
113.02468	23.1
117.00459	2.7
119.03515	25.8
119.05045	2.3
121.03004	1.7
123.04533	2.3
123.54651	1.6
125.02456	9.4
131.03519	2.3
133.02998	2.3
143.03497	6.3
147.04536	100.0
148.04892	3.4
149.04561	2.2
151.04033	2.7
161.02483	2.4
161.04553	7.2
165.05573	16.0
177.01999	1.5
179.05626	31.7
187.03860	2.2
191.05728	1.6
201.02562	2.5
205.04878	2.9
247.05896	2.6
249.03847	2.1
289.07254	3.6
327.10861	56.6
328.11179	5.8
349.09009	38.5
350.08945	2.7
393.08087	6.0
497.14368	9.6
675.24323	1.8
677.20740	32.8
678.20630	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.1
58.00591	2.6
59.01101	2.1
59.01384	33.7
65.32854	0.8
67.41060	1.0
69.03466	1.7
70.78566	1.8
71.01385	30.6
72.99316	2.3
73.02573	1.4
73.02950	16.0
73.64677	0.8
77.19978	0.9
80.22966	0.9
81.03458	2.1
83.05031	5.7
85.02952	6.2
87.00882	10.5
88.98782	1.4
89.02453	42.4
93.03462	40.4
95.01382	1.6
96.96030	1.9
97.02975	1.0
99.00887	4.3
99.04533	5.3
101.01818	1.8
101.02452	26.4
109.51405	1.0
111.00926	1.5
111.04530	15.8
113.02457	16.3
115.80089	0.9
119.03519	7.7
119.53293	1.0
129.01958	1.2
131.03506	2.9
137.02467	13.7
141.01912	1.2
143.03539	7.3
149.04552	1.8
155.03520	6.0
161.04591	8.7
173.04564	32.7
174.04898	1.4
179.05637	37.4
180.05956	1.8
191.05571	2.7
191.17162	1.0
221.06699	26.7
222.07016	1.1
281.08606	2.6
323.09784	4.0
341.10944	6.9
490.36417	1.1
492.76474	0.9
503.16223	100.0
504.16583	11.7
545.12708	1.2
572.17578	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
57.03439	1.8
57.45475	0.7
58.00593	1.4
59.01383	33.7
64.74660	0.6
65.03974	0.8
69.03462	1.6
70.55769	0.8
70.56079	0.8
71.01385	29.2
72.70444	0.7
72.99323	1.5
73.02949	15.3
81.03462	1.4
83.01402	1.5
83.05038	6.0
85.02956	7.5
87.00887	8.0
88.52379	0.6
89.02456	37.4
90.02818	1.0
93.03465	34.5
94.03804	0.9
95.01404	1.7
97.02966	1.6
98.21872	0.8
99.00891	3.7
99.04500	4.4
101.02451	23.3
105.76287	0.6
109.02951	1.4
111.04536	10.9
113.02451	13.5
119.03510	7.1
125.02463	1.5
128.50140	0.6
129.01958	2.4
131.03500	1.2
131.08266	3.2
137.02452	11.7
143.03497	6.5
155.03485	6.1
161.04576	6.3
173.04558	32.5
173.09280	2.5
173.10541	1.2
174.04756	1.0
179.05618	41.4
180.06047	1.2
216.88232	0.8
221.06665	20.8
222.06998	0.7
263.07678	0.8
281.08804	2.6
315.84439	0.6
323.09875	5.0
335.09720	3.4
341.10858	6.6
383.11844	0.8
503.16214	100.0
504.16537	10.9
599.75293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01569	0.5
53.33211	0.4
59.01381	100.0
60.01715	1.0
70.77103	0.8
84.52551	0.5
90.37610	0.4
99.04529	6.7
101.43535	0.4
107.78218	0.4
108.06461	0.4
110.03182	0.5
111.57388	0.4
121.02962	6.4
125.54028	0.4
170.68677	0.5
252.00343	0.4
276.18756	0.4
359.75394	0.5
407.77280	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15892	0.4
58.00595	0.6
59.01382	100.0
60.01722	0.5
61.98838	0.6
69.03468	0.7
69.16674	3.7
71.01384	10.2
72.99303	0.8
73.02961	1.6
78.95899	0.6
81.03467	0.6
83.01403	1.1
85.02974	2.8
85.58201	0.4
87.00903	2.1
89.02448	10.5
89.02959	0.7
95.01413	0.5
96.96027	0.8
97.02975	1.8
99.00877	0.7
99.04531	3.8
101.02450	8.3
113.02460	4.1
119.03504	3.7
121.02963	8.4
125.02464	4.3
131.03543	0.5
133.05045	0.5
139.04044	0.6
143.03549	1.4
161.04604	2.0
179.05696	1.3
221.06746	1.1
235.08273	3.1
253.09354	1.2
263.07913	0.8
279.23288	30.8
280.23776	1.9
287.07813	0.9
305.08865	0.7
335.04987	0.5
355.90305	0.4
397.13559	21.5
398.14029	1.3
415.06097	0.6
415.14615	9.2
595.29565	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	2.2
59.01382	85.9
65.83797	1.7
67.38208	1.4
69.31622	8.3
71.01389	54.9
72.99311	3.5
83.01151	1.8
85.02957	9.9
87.00896	2.4
89.02454	66.3
92.49588	1.4
95.01396	4.1
98.21864	3.5
101.02454	26.2
101.03104	1.9
103.05495	1.7
107.04843	1.7
109.89659	1.6
112.01656	1.7
113.02469	24.7
116.57165	1.5
117.00506	2.0
119.03514	25.9
119.04923	1.8
125.02448	2.3
128.37654	1.7
131.03513	3.3
143.03511	7.3
146.44028	1.4
147.04539	100.0
148.04883	6.0
149.04550	3.8
161.04578	6.9
163.16922	1.6
165.05602	5.8
179.05629	30.1
183.89633	1.7
205.04819	1.9
289.07089	2.3
308.85580	1.7
327.10889	60.4
328.11282	4.4
349.08945	15.5
497.14325	5.7
498.14758	2.1
499.26852	2.4
605.38782	2.1
650.63312	1.6
677.20813	13.8
678.21259	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22884	0.3
51.26194	0.3
55.01872	1.6
57.03449	1.7
58.00596	1.8
59.01382	43.2
60.01719	0.7
67.01904	0.3
68.99802	0.5
69.03445	1.9
71.01386	34.3
72.01711	0.3
72.99306	3.4
73.02948	6.2
75.00877	0.9
81.03465	1.6
83.01389	3.8
83.05027	0.4
85.02956	8.4
86.09730	0.3
87.00882	8.7
89.02451	30.9
90.02769	0.5
91.04028	0.6
91.14765	0.3
93.03469	0.4
95.01382	2.3
95.05012	0.4
96.02264	0.3
97.02955	6.5
99.00873	2.0
99.04538	0.8
101.02448	28.8
102.02810	0.3
103.04068	0.3
109.02992	0.4
109.03856	0.3
111.00870	0.4
111.04514	0.5
113.02457	14.3
115.04047	0.5
119.03500	9.2
121.02950	0.6
124.01669	0.7
125.02449	11.7
126.02809	0.5
127.03992	0.3
131.03514	1.6
133.05070	0.9
139.04018	0.9
141.01955	0.6
143.03510	6.0
149.02484	0.3
149.04591	0.9
161.04565	6.4
161.77113	0.3
167.03452	0.5
169.04982	0.5
171.02968	0.4
179.05617	5.9
185.04584	0.7
199.06116	0.6
217.07191	1.3
219.05211	0.3
221.06708	2.0
235.08232	12.2
236.08708	0.6
245.06693	0.6
250.15469	0.4
253.09253	2.7
261.22174	0.7
263.07739	1.5
277.09332	0.8
279.23294	100.0
280.23654	9.3
287.07742	2.7
293.24866	0.5
305.08774	3.1
323.09723	1.6
370.33789	0.4
379.12109	0.7
397.13522	59.3
398.13846	5.5
415.14603	27.1
416.14859	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46295	0.6
55.76550	0.4
59.01366	0.8
69.04890	3.5
71.01386	0.9
71.05019	0.6
80.02684	1.5
81.03451	1.4
83.01385	0.5
83.05031	6.1
84.02152	2.0
85.00437	0.5
89.02446	0.4
95.05034	0.5
96.96048	0.4
97.02893	0.5
101.02459	0.8
103.19843	0.5
116.92855	1.0
129.65501	0.4
135.08194	0.9
136.87756	0.4
163.11295	5.4
164.11600	0.4
165.12874	3.1
166.13110	0.5
169.80241	0.4
170.61328	0.4
181.12328	0.7
191.05676	0.6
191.10728	1.0
209.11839	100.0
210.12163	6.6
227.12901	60.2
228.13248	3.8
254.14159	0.5
259.15509	5.7
404.08673	0.4
537.47986	0.4
655.61572	0.5
660.55652	0.5
677.36768	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	0.3
58.55318	0.2
59.01371	0.8
61.98834	0.3
62.77884	0.2
69.03423	0.2
69.33933	0.9
69.34345	0.4
70.97334	0.2
71.01367	0.5
80.05040	0.2
81.03459	7.7
82.95396	0.2
83.05028	19.9
84.05357	0.5
85.54021	0.2
89.02456	0.4
96.96010	0.8
98.22524	0.4
99.23555	0.2
101.02386	0.2
107.06165	0.5
108.04576	0.5
109.02979	0.2
113.02444	0.2
125.02462	0.3
125.07207	1.2
126.05614	0.4
137.02371	0.2
143.08299	0.6
151.04095	0.2
179.62619	0.2
199.18082	0.2
206.03807	0.2
207.15042	1.6
208.13428	0.2
222.16219	0.2
224.17720	3.4
225.16080	13.5
226.16508	0.9
234.62251	0.2
242.18744	1.2
243.14299	0.2
243.18951	0.2
251.48451	0.2
289.07111	0.3
290.22366	0.5
291.20615	0.2
309.21704	0.8
323.31259	0.2
324.26620	0.7
333.23016	0.9
339.27789	0.2
341.29306	1.3
351.24188	0.4
367.27039	1.3
395.07834	0.2
396.50977	0.2
433.31885	1.4
450.34521	1.8
451.32898	7.0
452.33536	0.9
550.43872	0.9
551.43158	0.2
559.39850	0.3
565.44568	0.5
593.43854	0.5
633.35327	0.3
659.48944	1.3
660.49310	0.3
671.85187	0.2
677.49677	100.0
678.49994	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95162	16.8
66.94054	15.6
73.91802	18.8
74.76707	15.9
78.95908	74.2
98.21742	39.7
105.33686	17.0
106.58251	16.5
110.34043	16.1
186.09659	16.1
205.15938	30.3
348.30341	17.3
678.29065	100.0
679.29730	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
71.29973	0.9
78.95911	0.7
93.72859	0.4
362.01608	0.5
431.49298	0.6
451.63501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
64.53040	0.5
66.97906	0.4
70.29967	0.5
71.31605	0.7
82.08770	0.4
94.67897	0.4
107.36617	0.4
139.42404	0.4
168.68344	0.4
170.20815	0.4
446.84747	0.4
512.93329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.9
69.00915	13.3
85.02961	2.8
93.03471	2.7
97.15937	1.2
98.21793	1.8
111.04515	3.4
119.05038	47.4
120.05377	2.7
125.02457	3.6
133.02972	6.6
135.04529	4.8
137.02513	1.2
155.03540	1.9
161.02451	38.6
163.04016	100.0
164.04340	7.4
173.04539	4.5
177.02028	1.7
179.03514	9.6
191.05624	22.9
192.05991	1.1
259.93744	1.2
263.17706	1.2
337.09326	41.5
338.09702	5.1
341.08710	20.6
342.09348	1.3
492.49142	1.4
579.19464	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	15.8
57.10278	0.5
58.01721	0.4
58.28651	0.5
59.01389	2.7
67.46617	0.5
69.91676	1.9
71.01380	2.0
72.99310	0.7
73.02959	1.1
75.00896	0.6
81.03449	1.1
83.01390	4.1
85.02952	1.4
87.00891	1.4
89.02467	0.8
89.51000	0.5
93.03482	1.7
96.96036	1.0
97.02998	0.5
98.22409	0.6
101.02453	1.3
109.02971	0.8
119.05026	1.6
123.04587	0.5
125.02457	100.0
126.02811	3.3
128.57156	0.5
133.02939	0.7
134.79861	0.5
135.04530	1.0
139.03976	1.0
149.02454	5.6
163.03928	1.1
163.06154	0.9
167.03500	0.6
171.68985	0.4
173.04539	1.1
177.01979	0.5
177.04042	0.6
179.03502	1.1
191.03539	1.4
191.05624	7.6
192.06007	0.7
193.04968	0.6
195.05174	0.9
207.03130	0.5
211.07716	1.0
249.08067	2.0
253.07150	0.9
265.08682	0.7
271.08206	2.6
271.54556	0.5
313.09329	8.1
325.03381	0.6
327.08688	2.9
329.09363	0.7
337.09393	0.8
355.10394	0.7
505.13049	0.9
579.19330	50.0
580.19666	7.2
679.19281	2.1
680.19147	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90780	0.6
59.01384	100.0
60.01727	0.9
63.49121	0.8
71.01369	0.8
78.95914	0.7
80.45996	0.7
86.89108	0.6
96.96021	4.3
99.92609	1.0
103.00485	11.0
103.01505	87.9
104.01816	0.8
116.92880	4.7
117.92873	2.0
124.96184	0.7
125.02507	1.0
140.53000	0.7
165.05334	0.7
183.48909	0.7
339.12308	0.8
374.96759	0.8
515.18951	1.0
517.66406	0.7
531.22241	1.2
568.99365	0.7
575.20056	1.1
679.23883	1.1
679.35785	2.3
679.47357	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3701
Annotation	Tenuifolin
Peak:m/z	Relative Intensity
57.03451	5.1
58.18808	0.6
59.01384	39.8
61.98830	2.4
66.92875	0.7
69.03446	0.7
69.05885	2.2
69.06309	4.2
71.01391	10.0
72.99315	1.2
73.02946	1.2
83.05024	1.4
85.00420	0.7
85.02951	2.6
87.00889	0.8
89.02464	7.7
89.29981	0.6
89.74694	0.6
97.06570	0.8
98.21793	1.0
98.22445	2.0
101.02458	4.7
103.00402	2.3
103.01509	15.7
111.08180	8.1
113.02444	3.8
113.06112	2.0
116.92838	1.1
119.03519	2.7
135.08162	1.0
179.05582	0.9
191.05649	2.2
203.14474	0.8
237.16566	0.6
281.22708	1.3
285.51913	0.7
299.23819	1.1
323.23972	3.1
327.21802	0.7
341.24957	2.2
343.22839	2.8
366.45358	0.6
385.23846	12.5
386.24380	1.9
400.11359	0.7
481.31613	2.4
482.32846	0.8
499.30728	24.4
500.30966	4.5
517.31793	5.0
518.32202	0.9
561.67773	0.8
575.21124	1.5
584.06329	0.7
679.37012	100.0
680.37360	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73458	13.1
54.96465	10.5
68.77219	10.1
69.00941	14.7
69.11582	100.0
69.26185	11.8
75.32501	12.6
121.87862	11.8
125.22908	11.1
142.89404	12.3
149.40157	10.9
160.70540	11.3
181.90994	12.0
186.88461	21.5
187.86125	18.4
213.83621	10.6
252.16566	11.7
281.39822	13.1
313.27023	12.9
496.00543	13.4
542.52740	12.0
593.84631	10.9
680.14728	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87815	8.5
59.01371	38.3
61.98832	100.0
70.92377	18.3
70.92712	13.6
80.74803	9.3
96.95952	11.4
101.76276	9.7
144.25398	11.3
164.80582	10.1
246.43550	12.3
337.60880	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.6
61.98835	100.0
65.90616	0.4
69.06010	4.3
83.61487	0.4
99.04565	0.6
99.19745	0.4
110.71944	0.4
121.02966	2.9
122.03317	1.6
123.03635	0.4
165.01955	1.0
171.10248	2.2
177.12024	0.4
238.01942	0.4
291.19824	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68648	0.2
57.25651	0.2
59.01382	0.8
60.37517	0.2
61.98833	100.0
67.01896	0.2
69.09422	0.5
69.09844	1.1
69.34464	0.2
71.01397	0.4
76.97729	0.2
85.02962	0.4
87.00871	0.3
93.03494	0.4
98.22150	0.9
109.02972	0.2
116.92889	0.4
123.34448	0.2
125.02512	0.2
133.03021	0.2
135.04565	0.5
137.02487	0.3
151.04185	0.2
173.04657	0.5
191.05632	2.0
209.11801	0.2
518.32379	0.2
519.33539	0.6
680.38763	0.3
681.39264	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86333	0.2
56.28513	0.2
59.01373	0.3
61.98835	100.0
64.55334	0.2
70.29740	0.7
75.58134	0.2
78.05341	0.2
78.95924	0.2
107.72570	0.2
160.32684	0.2
214.19603	0.2
218.23433	0.2
238.82542	0.2
241.15915	0.2
276.81125	0.2
360.27136	0.2
556.19690	0.2
566.53046	0.2
642.23944	0.3
680.20148	1.5
681.20007	0.4
694.88550	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.9
60.99289	1.0
65.00321	1.5
71.01372	2.5
71.30771	1.5
83.01373	1.5
85.02969	1.4
87.06994	1.0
88.98792	4.0
107.01403	2.4
109.02956	0.8
124.01647	0.9
125.02426	2.0
135.80867	0.9
140.24416	0.8
151.00391	10.8
151.04024	1.1
152.00888	1.0
163.00383	4.0
163.04056	0.8
171.04645	1.2
175.04091	1.0
178.99852	8.3
187.04021	2.1
191.05611	6.0
199.03984	4.0
203.03540	8.0
214.02681	1.7
215.03548	7.4
216.03993	1.0
217.01486	1.0
227.03394	1.1
231.03029	5.3
241.01439	1.2
242.02145	2.3
243.02997	9.9
244.03447	0.9
258.01663	1.2
259.02493	19.8
260.02747	1.5
269.01135	1.2
270.01712	2.7
271.02509	24.5
272.02893	2.4
285.04318	1.2
286.01221	1.9
287.01996	36.9
287.05206	1.8
288.02280	4.0
288.09686	0.9
298.01245	1.1
301.03415	3.8
305.14645	0.8
315.01495	74.2
316.02148	20.8
317.02585	1.3
330.03836	76.3
331.04562	55.0
332.05026	4.6
360.19797	0.8
438.09702	0.9
440.36407	0.9
447.79327	1.0
447.86218	1.0
489.13632	1.1
637.37769	4.2
639.15668	4.8
681.16711	100.0
682.16870	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74673	0.3
58.62366	0.3
59.01379	3.0
59.14476	0.3
71.01381	1.7
77.30099	0.4
89.02466	1.3
91.69391	0.3
98.21822	1.1
101.02448	0.5
109.90269	0.4
113.02463	0.8
115.06580	0.3
117.03472	19.0
118.03843	1.0
119.05043	5.8
121.02950	0.4
134.03757	16.4
135.04111	0.4
136.01663	1.1
137.02451	2.2
139.04030	0.7
142.35690	0.4
145.02963	100.0
146.03304	4.6
149.06090	5.0
150.06526	0.4
151.04033	3.0
159.04465	0.8
161.06105	1.4
163.04018	11.2
164.04347	0.7
167.03490	0.4
178.02722	10.6
179.03123	0.7
187.04036	4.8
191.05615	0.5
193.05067	39.1
194.05374	2.0
205.05080	1.6
235.06158	0.7
265.07230	1.8
291.44229	0.4
325.09293	32.6
326.09778	2.4
355.10355	4.5
357.13559	3.0
358.13480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.5
59.01384	2.6
61.98775	0.5
71.01389	4.5
71.30811	0.5
71.31190	0.4
73.02954	1.3
85.02954	3.1
87.00879	0.7
89.02442	1.9
93.03461	2.0
95.01399	0.8
101.02444	3.5
108.02174	0.7
111.04514	0.9
113.02469	1.8
113.06112	0.6
119.05042	0.6
121.02971	3.8
122.03768	1.8
123.00878	0.6
125.02510	0.7
131.03535	0.6
134.03773	0.9
136.01672	55.4
137.02011	2.1
151.04018	88.6
152.04362	3.7
153.40277	0.5
155.03539	0.9
159.03008	0.7
160.05266	1.0
161.02460	0.7
161.04573	3.8
162.03230	0.5
163.04007	1.5
175.07669	1.6
177.05498	0.9
187.03967	0.5
189.12851	1.5
191.05568	1.1
193.05055	0.6
239.10970	0.4
251.12833	1.1
274.74359	0.4
295.11948	4.5
300.02850	0.6
342.11023	5.5
354.08780	1.8
357.13434	100.0
358.13803	12.5
464.74286	0.5
519.18573	1.7
550.28223	0.6
639.02448	0.6
647.79431	0.6
681.29797	0.7
682.17981	4.6
682.31921	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98442	1.8
57.03431	2.4
59.01369	2.2
61.98843	8.9
61.99096	1.7
69.04927	4.0
69.05331	15.0
71.01386	2.9
96.04937	1.6
107.01360	2.0
123.00878	1.8
125.02473	1.7
151.00417	3.9
163.00555	1.7
184.96600	1.8
186.03247	2.9
189.01848	2.2
190.83731	1.8
206.88145	1.8
214.02721	8.3
227.03482	1.7
241.01460	32.8
242.02216	16.5
243.02756	3.5
245.00911	25.4
255.03027	2.4
269.98795	3.5
270.01706	55.9
271.02472	39.8
272.02707	3.7
283.02289	1.7
298.01147	36.1
298.70056	2.1
299.01987	56.8
300.02414	5.4
433.07620	4.0
444.59268	1.9
461.07285	76.9
462.07574	9.5
519.32886	2.6
681.25464	100.0
682.25702	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29601	1.5
59.01376	2.9
60.89927	1.6
61.98829	9.5
63.54304	1.7
67.29516	1.5
71.01353	1.9
71.31908	2.3
90.54703	1.9
105.98046	1.6
121.02959	1.8
125.02467	2.8
125.65154	1.6
145.90552	1.5
151.00378	2.7
161.02452	3.1
171.10307	2.4
173.02374	1.6
177.01912	1.8
179.03613	1.5
186.03250	3.8
187.04060	1.9
199.04030	1.8
213.72647	1.6
214.02789	8.9
215.03459	2.0
218.02348	2.3
227.03503	3.1
241.01425	33.5
242.02206	17.6
243.02905	3.8
245.00932	27.8
270.01718	62.9
271.02460	42.1
273.00558	1.9
283.02322	2.4
298.01208	41.6
299.01984	61.8
300.02490	5.7
313.03436	1.8
433.07669	6.1
461.07281	100.0
462.07526	9.3
681.25507	99.4
681.37323	4.3
682.26086	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58973	0.8
65.45792	0.9
69.16247	6.9
69.16650	2.2
74.00912	1.0
84.79239	0.9
98.22475	2.1
103.51079	0.9
123.68590	0.9
197.11876	5.8
218.47459	1.0
223.13408	5.9
421.31149	5.2
439.32288	7.5
440.32574	1.8
459.22482	1.1
483.31201	100.0
484.31540	18.5
681.34106	12.2
682.34265	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70918	0.3
51.66545	0.3
52.43270	0.4
52.99684	0.3
55.01870	1.2
57.03439	0.6
58.00597	0.7
59.01382	13.2
61.98839	0.4
71.01388	12.7
71.31936	0.4
71.98306	0.4
72.99320	1.0
73.02948	2.2
83.01400	1.5
84.24052	0.3
85.02949	3.6
87.00893	1.4
89.02449	4.4
90.02718	0.3
92.17725	0.4
95.01371	0.5
97.02956	0.4
99.00900	0.9
101.02446	5.2
111.00854	0.5
112.45405	0.4
113.02455	3.3
116.92841	0.8
119.03501	1.3
119.46624	0.3
125.02460	0.7
133.05063	0.5
147.66731	0.3
160.53761	0.3
185.11772	1.8
297.24316	0.6
309.24457	2.1
311.26007	0.5
321.24463	1.3
323.26007	0.7
327.25433	3.7
328.25830	0.5
339.25400	7.3
340.25955	1.1
341.27115	1.3
348.02631	0.3
357.26434	8.2
358.26846	1.1
489.30777	1.5
501.30725	5.8
502.31052	1.2
503.32581	1.4
519.31818	10.0
520.32086	2.3
681.37030	100.0
682.37354	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98452	0.4
55.01880	1.0
55.27415	0.4
57.03432	1.1
58.00584	1.2
59.01384	16.7
61.98820	1.1
62.88218	0.4
71.01389	12.0
72.99305	1.2
73.02950	1.9
76.58333	0.4
83.01385	1.6
85.02959	4.4
86.00090	0.4
87.00886	1.6
88.98824	0.5
89.02452	6.0
91.86481	0.4
93.03443	0.9
95.01374	0.7
97.02960	0.4
98.21782	1.2
99.00909	0.7
101.02451	6.3
105.97313	0.4
109.02917	0.4
111.04473	0.3
113.02450	3.2
116.92910	0.5
119.03493	1.5
119.05023	0.5
121.98318	0.4
125.02449	1.6
126.22494	0.4
135.04550	0.8
155.03496	0.6
163.04053	0.6
173.04568	2.6
177.02003	0.4
179.03520	0.7
185.11870	1.0
191.05658	3.1
209.11844	0.8
229.45001	0.6
229.47112	0.4
283.13437	0.7
289.07230	0.5
294.64236	0.4
309.24457	1.4
321.24362	1.6
327.15741	0.5
327.25381	3.0
339.25467	8.0
340.25656	0.9
357.26468	7.8
358.26877	1.0
476.20474	0.5
489.30844	0.7
501.30603	6.7
502.31079	0.8
519.16553	1.5
519.31836	12.4
520.32037	2.2
535.70001	0.4
663.36115	0.6
681.37061	100.0
682.37366	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16888	0.4
57.03465	0.5
58.00582	0.5
59.01383	9.1
61.98808	1.0
69.10263	4.1
71.01386	11.3
72.99323	0.6
73.02939	1.5
83.01368	1.0
85.02948	3.6
87.00856	1.1
88.98815	1.2
89.02443	4.7
95.01395	1.0
99.00880	0.8
101.02454	6.2
111.00886	0.7
113.02486	2.8
116.92868	0.7
119.03519	1.3
123.04552	0.6
125.02438	1.3
133.93172	0.5
137.02473	0.7
161.02403	0.6
173.04536	0.5
174.09283	0.4
179.03561	0.5
185.11829	1.5
191.05595	1.0
278.16153	0.4
309.24368	1.6
321.24472	0.5
327.25403	5.0
328.26004	0.5
339.25439	5.9
340.25687	0.7
357.21997	0.7
357.26459	13.5
358.27020	2.0
409.17465	0.4
489.30969	2.4
501.23541	0.6
501.30804	9.8
502.31229	1.6
519.31750	100.0
520.32080	15.1
561.32971	1.2
681.37360	3.6
682.36835	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
57.03448	0.7
58.00583	1.0
59.01093	0.8
59.01384	17.0
61.98806	0.8
69.01055	3.3
69.01474	2.6
71.01385	14.1
72.99329	1.3
73.02938	1.5
83.01381	1.8
85.02955	4.6
87.00884	1.8
89.02451	5.7
93.03475	1.4
95.01388	0.9
98.22517	1.4
99.00880	0.7
101.02439	6.6
111.00888	0.9
111.04541	0.7
113.02457	4.0
115.00426	0.9
116.92899	1.0
119.03521	1.8
125.02470	0.7
135.04506	0.6
137.02460	0.9
147.13107	0.6
147.61990	0.6
173.04539	4.5
176.64383	0.6
179.03484	0.7
185.11925	0.6
191.05611	2.7
209.11897	1.1
248.34419	0.6
249.18602	0.6
283.13437	0.6
301.14545	0.7
309.24469	1.5
321.24405	1.5
327.25305	3.1
339.25394	8.0
340.25757	1.2
357.26465	8.4
358.26596	0.7
489.31158	0.7
501.30673	6.6
502.31079	0.8
519.31696	12.3
520.32098	2.3
645.37524	0.5
663.35828	0.8
681.37036	100.0
682.37421	21.7
705.58472	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90145	64.4
56.33002	66.6
59.01359	74.0
61.98824	100.0
63.74286	72.6
68.16722	61.7
77.99315	64.2
122.98567	64.0
177.56625	65.1
184.82014	71.6
459.56549	84.7
659.38971	83.1
691.28717	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61934	4.7
57.03455	10.1
60.99303	10.9
66.01815	4.7
69.64164	18.0
88.45197	4.8
88.98815	33.1
93.03481	4.6
109.02927	22.5
121.03058	6.7
123.04628	10.4
125.02464	87.6
133.02966	6.0
137.02437	31.6
149.02432	17.5
151.04010	23.2
161.02397	5.3
165.01917	7.5
167.03494	5.7
175.03995	13.1
177.01956	100.0
178.02188	6.1
179.03429	7.0
187.03981	10.9
203.07054	10.3
205.04944	7.0
213.10674	5.4
229.05237	10.8
243.02995	10.2
245.08223	9.4
255.03041	15.3
256.03784	7.6
273.04108	6.1
283.02884	5.4
285.04044	6.7
289.07211	51.4
303.05164	10.4
305.06512	8.5
339.08731	6.4
381.09555	6.0
407.07751	94.6
408.08124	12.4
423.07385	12.2
425.08777	100.0
426.09048	15.1
441.08096	6.3
467.09525	7.5
593.12927	26.0
594.13275	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.9
60.99312	15.0
71.01382	1.1
72.51467	0.6
88.98814	100.0
89.99112	1.4
93.23817	0.6
131.67503	0.6
139.65138	0.6
200.99721	0.6
227.03468	2.7
229.28676	0.7
245.09242	0.9
255.02975	4.6
256.03479	0.9
284.03241	6.1
285.03973	2.2
294.89459	0.6
593.15149	10.0
594.15295	1.9
714.59528	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.9
60.99312	15.0
71.01382	1.1
72.51467	0.6
88.98814	100.0
89.99112	1.4
93.23817	0.6
131.67503	0.6
139.65138	0.6
200.99721	0.6
227.03468	2.7
229.28676	0.7
245.09242	0.9
255.02975	4.6
256.03479	0.9
284.03241	6.1
285.03973	2.2
294.89459	0.6
593.15149	10.0
594.15295	1.9
714.59528	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08830	0.7
54.64858	0.8
59.01385	0.7
60.22953	0.7
62.58258	0.7
68.92832	0.7
71.01379	1.3
71.28828	1.4
75.00871	0.9
81.03442	1.4
83.05029	5.9
85.02959	1.4
87.00871	4.4
88.98842	0.8
93.03465	13.0
96.96019	1.9
99.00907	1.1
109.02959	1.1
111.04531	19.4
117.03493	0.8
119.05036	8.1
127.04024	1.6
131.04956	0.7
132.05817	1.0
135.04562	1.2
137.02457	2.6
143.05022	3.0
145.03018	2.0
155.03514	18.8
163.04068	5.6
163.89305	0.8
173.04604	2.8
175.07634	0.9
179.05594	1.5
191.04105	1.2
191.05656	5.7
196.38666	0.9
198.04607	1.4
199.04190	16.8
211.07664	1.3
217.05280	1.0
237.09193	2.0
265.08728	3.2
269.04721	10.6
283.09695	1.4
297.04358	1.6
298.04944	1.4
309.07916	2.5
326.87750	0.8
327.08676	4.8
328.09518	0.8
329.14264	1.2
335.08508	1.6
337.07446	1.2
341.10916	1.5
354.08777	1.9
355.08453	37.0
356.08765	2.3
373.09793	1.0
509.13608	2.8
519.13477	1.8
534.74170	0.9
542.71088	0.9
683.17963	100.0
684.18176	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
59.01371	2.7
59.01650	0.6
59.52882	0.6
71.01366	2.7
71.31508	1.3
73.02935	0.7
81.03458	2.0
83.05039	5.4
85.02934	1.2
87.00883	5.0
89.02422	1.7
93.03467	17.3
94.03826	0.6
95.01437	0.7
96.99356	1.1
99.00906	0.8
101.02430	1.8
109.02971	2.6
111.04529	20.7
112.04907	1.0
113.02438	1.1
113.06067	0.9
118.49337	0.7
119.05033	6.3
125.02450	0.7
127.04049	1.1
131.05081	0.8
133.02953	2.2
135.04575	1.0
136.01633	3.6
137.02434	2.6
137.04195	0.7
143.05046	6.9
144.05162	0.6
145.02965	2.0
151.04030	7.5
152.04355	2.5
155.03517	19.3
161.02461	0.7
161.04597	0.7
161.90411	0.7
163.04005	3.2
165.87856	0.7
171.04602	1.1
173.04558	2.1
179.03606	0.8
181.03033	0.9
189.12872	2.6
198.04561	1.1
199.04201	15.9
211.07663	2.4
235.07607	0.8
237.09212	1.4
251.12872	2.7
265.08679	5.0
268.76224	0.6
269.04739	8.2
270.04892	0.9
295.12015	7.0
297.04141	1.8
298.05234	1.1
309.07794	2.9
327.08667	7.5
328.09158	1.7
337.07297	1.6
354.08847	1.9
355.08438	34.1
356.08679	3.2
357.13483	3.0
358.13855	4.5
359.13800	3.8
373.09869	0.8
433.10101	0.7
519.13654	0.9
683.17920	100.0
684.18176	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07974	2.0
56.00626	1.8
59.01386	49.2
70.19074	2.1
71.01387	31.9
83.01382	2.5
85.02939	6.8
87.00877	4.0
89.02453	47.1
93.03484	6.1
101.02454	15.3
104.76126	2.1
113.02460	12.7
117.56536	2.3
119.03518	21.2
119.04990	2.7
134.03758	40.5
137.02477	7.4
143.03534	7.2
145.03036	2.8
147.04532	70.2
148.04930	3.2
149.05092	2.2
149.06094	15.5
155.16551	2.3
161.04555	6.3
163.04083	2.4
178.02710	27.9
179.05612	16.2
191.05643	14.5
193.05070	100.0
194.05353	5.6
229.11342	2.7
327.10931	26.0
328.11432	2.6
337.09473	3.1
355.10373	8.3
392.37009	2.3
399.64371	2.4
443.93192	2.2
467.18341	2.5
683.17712	10.5
684.17810	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22103	27.0
50.56275	31.2
52.98961	23.8
54.35640	29.9
55.72029	30.3
55.85360	25.4
57.10909	24.5
62.36814	29.9
63.82221	26.4
78.30553	36.1
104.95470	25.6
111.57243	31.4
145.03830	28.4
199.55670	33.8
269.93213	25.6
337.07355	30.1
342.61722	31.7
349.43332	28.0
356.12518	44.0
359.67474	36.5
371.14932	52.5
403.17651	100.0
485.21613	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.6
63.78716	0.2
69.27063	1.7
71.01388	2.2
73.02938	0.7
80.41331	0.2
85.02962	1.1
89.02438	0.3
93.03464	0.7
95.01393	0.3
98.21763	0.4
99.00867	0.3
101.02460	1.4
103.90810	0.2
108.02189	0.3
109.02912	0.2
110.27991	0.2
111.04542	0.4
113.02437	0.8
119.05042	0.5
121.02972	2.9
122.03778	1.1
123.00887	0.8
123.04537	0.6
124.01705	0.5
125.02413	0.3
133.02936	0.3
134.03691	0.2
135.04553	0.5
136.01656	0.4
136.05302	1.2
137.02438	0.7
137.06049	0.4
143.05049	0.7
145.02946	0.4
146.03662	0.4
147.04553	1.3
147.05493	0.2
149.02475	1.4
150.03247	5.1
151.04031	0.4
153.05579	0.6
155.03522	0.3
158.03746	2.1
159.03134	0.2
159.04520	6.1
160.05310	23.5
161.04539	1.9
161.06056	5.3
163.04028	5.1
163.05379	0.3
164.04819	4.7
173.06108	3.0
173.46695	0.2
174.06834	0.5
175.07651	20.5
176.04791	0.6
176.08012	1.0
177.05592	6.1
178.06354	6.8
179.03461	0.4
179.06766	0.4
191.07176	0.5
192.07869	1.1
193.08739	2.7
199.04230	0.4
269.04553	0.2
285.13638	0.2
314.11627	0.9
329.13959	100.0
330.14288	10.2
355.08484	0.7
359.15033	18.6
360.15387	2.1
369.07532	0.3
452.68356	0.2
483.84991	0.2
521.20209	2.3
522.20563	0.5
683.17926	2.0
684.18585	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79863	0.2
55.43960	0.2
59.01368	0.5
59.33933	0.2
62.73840	0.3
69.22154	1.2
69.22572	0.7
71.01385	2.0
73.02941	0.4
74.86218	0.2
76.49757	0.2
83.01391	0.3
85.02937	0.9
93.03458	0.4
97.95718	0.3
101.02438	1.1
108.02229	0.4
109.02989	0.3
113.02432	1.0
121.02952	2.7
122.03737	0.7
123.00878	0.7
123.04545	0.4
124.01690	0.4
134.03687	0.3
136.05267	0.9
137.02429	0.6
137.06165	0.4
143.05000	0.6
146.03671	0.3
147.04518	1.4
147.69304	0.3
149.02478	1.3
150.03247	4.1
151.03978	0.4
153.05605	0.4
158.03720	1.4
159.03180	0.5
159.04518	5.5
160.05315	21.7
161.04547	2.5
161.06041	5.1
162.03244	0.3
162.06386	0.3
163.04015	3.6
164.04811	4.1
168.04317	0.3
173.06056	3.1
174.06818	0.7
175.07652	18.9
176.04802	0.6
176.07957	0.9
177.05566	5.6
178.06363	6.4
179.06850	0.3
192.07991	1.4
193.08722	2.3
197.08226	0.4
219.47820	0.2
312.31863	0.3
314.11667	0.8
329.13950	100.0
330.14304	10.2
330.18280	0.3
344.81625	0.3
359.15015	19.8
360.15271	2.2
360.63589	0.3
388.56693	0.3
491.19174	0.5
521.20398	2.4
522.20483	0.6
683.17133	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01706	0.9
61.98829	3.2
71.01394	1.2
72.92409	0.5
72.99313	3.5
73.02941	0.7
75.00876	6.3
87.04536	1.3
89.02451	1.6
98.21888	0.6
107.62244	0.6
113.02485	0.7
121.03044	0.6
123.04575	0.8
174.67773	0.8
175.19052	0.6
289.06891	0.6
367.18436	0.7
382.47919	0.8
385.20184	1.3
479.23099	1.5
503.21408	0.8
521.21887	1.4
545.24823	0.8
553.26489	6.9
554.26941	1.1
563.25201	2.3
565.23462	0.8
581.26068	43.8
582.26349	7.0
595.28186	1.1
623.26984	11.7
623.36017	0.7
624.27661	1.8
683.29211	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82079	2.2
65.15907	1.9
81.33656	1.9
155.99596	2.6
160.84253	2.5
162.83827	2.7
173.84752	2.0
197.02185	6.8
211.26559	2.0
295.69473	2.2
423.32422	3.1
485.32745	100.0
486.33160	14.0
599.72290	2.4
683.35675	28.7
684.36163	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.4
59.01389	9.7
60.28730	1.0
60.99311	1.8
61.98822	1.1
69.94786	3.8
71.01389	11.5
73.02932	0.8
79.38981	0.8
83.01346	0.9
85.02950	2.1
87.00875	1.2
88.98815	10.4
89.02449	4.5
101.02430	4.6
109.02917	1.1
109.37216	0.9
110.09035	0.9
113.02475	2.2
119.03507	1.7
209.11853	1.1
227.12953	1.2
235.20728	1.1
267.16229	1.8
295.22714	1.2
304.94131	0.9
313.23688	1.5
341.26913	5.8
342.27078	1.2
349.07974	0.9
359.28018	16.4
360.28412	2.1
447.99661	0.8
503.32504	7.6
521.33350	100.0
522.33704	17.2
683.38702	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
59.01384	15.2
61.98814	1.6
62.82659	0.7
69.10092	6.1
69.10497	1.8
71.01377	12.6
72.99342	1.3
73.02947	1.2
81.03477	0.8
83.01405	0.8
85.02972	3.9
85.39709	0.8
87.00877	1.0
88.98803	1.4
89.02444	5.8
95.01385	1.4
96.96908	0.8
101.02440	6.3
113.02453	2.8
119.03510	0.8
130.62436	0.9
146.20781	0.9
150.06898	0.9
151.07652	1.9
152.08311	0.8
153.09174	0.8
169.63866	0.8
195.73592	0.9
209.11780	3.9
219.13930	1.1
263.12906	1.4
264.13278	1.7
313.24030	1.5
341.26962	5.9
359.28015	8.5
503.31915	4.2
519.31836	2.9
520.32056	4.6
521.32983	23.3
522.33490	3.3
620.67755	0.9
665.38831	1.0
683.38574	100.0
684.39478	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.5
59.01381	3.0
61.98813	1.5
69.09385	1.9
69.09790	9.2
71.01384	3.1
71.43953	0.9
73.93008	1.0
74.79105	1.2
84.10137	1.0
85.02996	1.6
87.00893	3.1
89.02470	2.0
95.05037	1.5
97.06594	14.7
98.21791	2.3
101.02476	4.0
104.99265	1.1
111.38867	1.0
113.02483	1.9
114.38705	1.1
123.08197	8.5
125.09738	79.3
126.10088	3.0
145.05089	1.5
161.04611	2.1
187.09776	36.1
188.10065	1.3
205.80569	1.1
235.08315	3.1
253.09320	2.9
277.21738	43.2
278.22064	3.5
402.15390	1.1
405.17654	5.9
406.17719	1.2
423.18518	6.0
683.40143	100.0
684.40576	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.3
59.01384	5.6
59.89844	0.9
61.98837	1.0
65.85374	0.8
70.88159	1.5
71.01396	5.4
73.02939	1.0
83.01411	1.5
85.02924	1.6
89.02443	4.1
94.71133	1.0
97.06598	14.0
101.02457	3.0
107.24748	1.0
110.75362	0.8
113.02470	2.2
123.08181	7.9
125.09729	100.0
126.10044	5.2
143.10800	1.1
161.04546	0.9
169.08673	1.7
179.05669	1.5
187.09769	66.3
188.10147	3.6
253.09239	1.6
277.21680	13.2
278.21844	1.0
313.90396	0.9
362.96954	1.1
399.67078	1.0
405.17499	5.8
423.18710	19.2
424.18903	2.3
575.80017	1.0
596.05188	1.1
681.07898	1.0
683.40125	80.3
684.40527	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64604	1.0
58.03447	1.2
63.49666	1.0
69.00435	10.2
70.66294	1.1
98.21804	2.2
106.95252	1.1
125.35645	1.1
135.71550	1.1
142.74512	1.4
153.79732	1.1
308.64609	1.4
354.84326	1.3
438.13513	4.1
452.14673	1.8
472.81290	1.4
481.15231	38.3
482.15479	11.4
495.16891	10.8
496.17447	2.7
525.13843	1.9
538.12738	1.3
539.15967	2.0
540.16553	12.5
541.17169	3.2
554.18207	2.8
555.18890	91.6
556.19086	25.2
556.27173	2.0
572.15497	19.6
573.15955	4.7
586.17316	5.8
587.16827	1.3
641.22571	35.5
642.22705	10.8
684.23120	100.0
685.23505	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.232
Annotation	Unknow
Peak:m/z	Relative Intensity
61.14718	5.7
69.92779	10.8
69.93180	18.2
92.00582	5.8
150.43518	6.2
156.48958	6.5
206.81439	5.6
210.95322	6.0
219.03894	5.8
478.92239	6.2
481.15311	39.3
482.15814	9.0
495.16898	14.7
540.16541	10.1
555.18903	99.5
556.18970	25.5
572.15527	26.1
641.22449	41.4
642.22748	11.0
684.23242	100.0
685.23297	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.9
61.98837	11.7
71.01371	2.6
83.01394	1.6
87.00853	1.3
89.02446	2.7
95.01365	1.0
101.02438	2.3
107.01371	2.3
109.02931	1.3
119.67700	1.0
121.02911	1.3
134.57918	1.1
135.00911	1.1
151.00352	6.6
163.00348	2.0
169.01379	1.7
178.99854	3.8
184.89201	1.0
195.13896	1.8
197.11859	1.2
205.12207	1.1
207.10258	1.6
209.11819	3.5
223.13383	2.9
225.11319	2.5
226.02625	2.0
227.03432	3.0
227.12825	1.3
232.88046	1.1
243.02971	11.3
244.03358	1.5
254.02101	3.7
255.00540	1.3
255.03006	21.9
271.02496	56.6
272.02838	6.0
273.03723	1.0
299.01956	1.4
300.02762	100.0
301.03439	31.0
302.03540	1.9
376.19147	1.3
522.22577	1.2
669.85443	1.1
685.28308	90.4
686.28845	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.7
68.81046	1.0
69.25215	0.9
69.94112	2.1
69.94494	1.8
71.01382	1.9
73.02960	1.4
84.10997	0.9
89.02456	2.8
98.21932	1.8
98.22474	1.2
135.11824	19.6
136.12164	1.2
139.07567	1.0
148.98492	0.9
149.04524	0.8
150.06886	11.7
162.06868	2.5
163.07713	2.5
167.10782	3.0
177.09270	1.9
179.10788	100.0
180.11172	5.6
223.09764	18.1
249.06325	1.0
477.32220	2.3
487.80670	1.3
502.60190	1.5
522.32184	1.5
523.32581	8.2
524.33325	1.4
535.00696	1.0
539.69537	1.2
685.26520	1.9
685.38165	36.1
686.38562	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	14.4
61.98827	21.1
71.01385	100.0
73.02940	6.5
85.02946	5.1
99.04540	5.2
101.02422	5.0
109.06591	4.6
113.02448	7.6
121.01504	3.5
125.09713	4.3
127.11309	3.8
163.11285	6.7
171.10281	42.3
195.13838	7.9
201.11372	35.8
205.12457	7.9
207.10318	23.3
209.11826	47.3
211.13367	5.0
221.11862	11.5
223.13435	57.0
225.11356	35.7
235.08205	6.9
239.12956	18.2
247.13362	5.5
253.09274	15.7
265.14789	3.4
271.02533	4.9
279.23215	4.1
299.01978	8.9
346.79831	3.6
378.79031	3.5
413.23822	3.4
422.55029	4.0
461.20297	9.5
544.30414	3.8
667.33521	5.9
685.35419	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.8
57.03429	2.8
59.01385	34.2
60.01705	0.7
60.70745	0.7
61.98835	9.4
62.80341	0.7
66.16807	0.8
69.01985	5.0
69.02405	3.2
71.01388	40.2
72.99318	1.4
73.02954	14.4
75.00893	0.9
75.59155	0.7
83.01394	6.8
85.02959	19.8
86.02498	1.0
87.00870	2.2
89.02458	8.5
95.01388	3.1
96.95968	0.9
97.02949	2.1
99.00905	4.7
99.04536	0.9
101.02457	35.6
109.06647	0.7
113.02464	17.1
119.03500	1.8
125.02428	4.1
129.01973	1.2
131.03522	16.1
137.02374	0.8
143.03510	3.0
150.06841	2.9
157.66344	0.7
159.02991	3.3
161.02495	1.1
161.04559	18.9
162.06885	5.4
163.07607	0.7
164.01086	0.9
171.10295	1.0
173.55234	0.7
176.00220	2.3
176.08427	3.3
177.09262	3.7
179.05521	1.0
179.10730	0.7
205.03413	1.1
209.11838	3.3
221.11833	2.2
246.85603	0.7
310.78369	1.0
312.85364	0.9
327.21909	1.5
331.22760	9.3
332.23181	1.0
461.28900	1.4
493.28091	100.0
494.28506	16.6
505.31256	1.3
537.27008	3.1
565.27893	0.8
625.32343	27.6
626.32739	6.3
649.17426	0.8
685.38312	13.2
686.37946	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03191	0.6
53.26199	0.7
57.03421	0.8
59.01373	4.3
61.60598	0.7
61.98810	0.8
69.13502	1.9
69.13920	4.5
71.01380	3.8
73.02945	2.6
85.02946	2.6
87.00897	1.1
89.02458	0.9
96.96026	0.8
97.06607	1.0
99.04521	1.0
101.02457	2.0
109.02955	0.7
111.08177	0.7
123.04595	0.8
123.08168	2.1
125.02510	1.0
127.81669	0.8
131.03479	0.9
148.05302	0.7
149.06059	1.3
150.06879	25.9
151.07338	0.8
155.10847	0.7
161.04597	1.1
162.06854	1.2
163.07648	9.4
164.08449	4.6
171.10277	1.3
177.09250	1.3
179.10811	14.1
187.09738	1.2
210.75098	0.7
229.10849	2.6
247.30443	0.7
281.71271	0.7
299.18863	1.2
301.83380	0.7
320.20020	1.2
331.23022	0.8
341.23392	2.8
343.21359	2.7
364.22528	1.8
393.26547	1.5
462.30093	1.0
476.31430	1.6
477.32370	3.7
487.73233	0.8
493.27771	6.9
494.28525	1.1
504.31223	3.3
505.31693	2.7
522.32062	5.6
523.32849	20.7
524.33014	3.7
530.10254	0.8
625.31976	1.4
643.02643	0.9
656.60437	0.9
685.38104	100.0
686.38458	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
59.01380	8.7
61.98826	2.4
62.36500	0.6
67.60885	0.7
69.21151	2.3
69.21574	3.2
71.01383	2.4
73.02965	0.9
75.76009	0.6
85.02946	1.5
87.00870	1.3
88.04330	0.7
89.02451	0.9
95.05054	1.0
97.06595	0.8
99.28170	0.7
109.02952	1.0
111.08189	0.9
113.02466	1.2
121.02967	7.3
123.08161	1.6
125.02447	1.7
136.05275	0.9
136.32179	0.6
137.02454	1.5
149.02480	1.2
149.06078	2.1
150.06877	26.4
151.04082	0.7
156.99112	2.8
157.08734	1.0
162.06926	0.9
163.04079	0.7
163.07695	10.7
164.04823	1.0
164.08434	5.0
165.01920	1.4
178.02759	0.8
178.10013	1.8
179.10788	13.9
229.10826	1.6
239.24368	0.7
289.07336	1.1
299.18738	0.9
320.19995	2.1
335.22449	1.2
341.23260	2.2
343.21323	4.0
364.22647	1.7
441.30051	0.9
459.30682	0.9
462.29898	2.3
476.31366	1.3
477.32211	5.7
478.32477	1.0
493.18021	0.7
504.30832	2.9
505.31589	2.4
507.03619	0.8
522.32080	4.5
523.32727	21.4
524.33087	2.5
611.52509	0.7
625.21716	4.9
626.21997	1.2
649.12183	0.8
649.22821	2.2
650.23767	0.9
685.38068	100.0
686.38373	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.4
59.01375	2.5
69.31514	1.3
69.31928	3.5
71.01393	1.4
71.13014	0.7
76.90791	0.7
85.02953	0.8
86.13262	0.6
86.46084	0.8
87.00891	0.9
89.02471	0.9
91.10859	0.6
98.21780	1.5
99.00899	1.2
104.98254	0.7
113.09785	0.7
118.75932	0.7
123.08162	1.0
126.78036	0.7
135.08194	0.8
135.11777	1.3
137.06033	0.7
141.09286	0.6
149.04604	1.8
149.06105	1.8
150.06889	30.8
151.07356	2.0
161.09760	1.0
162.06920	1.6
163.07654	6.2
164.08464	5.3
177.09332	0.7
178.10037	1.5
179.10797	20.8
180.11205	1.0
191.05714	0.8
223.09753	1.6
229.10893	0.8
251.34108	0.8
292.20584	0.9
320.19885	1.0
335.22028	1.0
343.21313	4.0
364.22632	1.5
459.31293	1.7
462.29840	1.7
477.32321	5.4
504.30896	1.0
505.31866	2.0
522.31995	1.8
523.32788	23.7
524.32965	4.4
685.38104	100.0
686.38354	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.9
59.01381	15.9
61.98840	11.5
71.01385	10.1
71.32095	1.7
72.99314	1.3
73.02953	17.2
75.00916	1.5
85.02975	3.6
87.00894	2.3
87.04553	1.9
89.02447	7.4
93.03484	1.7
101.02463	4.7
103.01564	1.8
109.02929	1.7
113.02498	3.5
119.03588	1.7
123.04548	3.0
125.02488	5.8
136.05345	4.2
137.02371	1.6
137.06171	2.9
149.06064	3.7
150.06874	25.8
151.04073	2.4
157.32191	1.5
161.04651	2.3
161.06088	1.6
162.06879	35.8
162.08121	2.9
163.07657	11.6
164.08438	5.0
165.01988	3.1
165.09192	2.4
168.14392	1.4
171.10286	2.2
176.08397	12.1
177.09215	22.4
178.09708	2.7
179.10786	7.3
201.11359	2.9
209.11887	3.1
217.32481	1.4
217.62621	1.5
221.12112	2.1
227.12962	1.6
235.16925	1.7
253.09598	1.4
255.03040	3.7
275.26385	1.5
283.02475	7.0
297.20682	2.0
327.21927	4.9
395.25934	2.1
401.27170	5.9
431.27841	3.3
432.28729	3.5
448.28598	3.9
461.29346	2.2
477.32370	3.4
479.30432	2.6
493.31949	3.8
494.32141	2.1
505.32098	8.9
523.33417	9.9
524.33173	2.4
607.12811	1.5
641.35828	5.1
655.37115	9.6
656.37506	3.1
667.37000	13.1
668.37616	2.6
685.38275	100.0
686.38568	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38876	0.8
52.94307	0.8
57.16441	0.8
59.75138	0.8
60.99318	1.7
61.98834	50.0
65.00291	1.1
69.15884	3.9
69.16316	3.5
70.37507	0.7
71.01383	1.1
88.98809	6.0
89.99156	1.2
105.14875	0.8
125.02445	1.8
131.74345	0.8
134.03722	5.9
135.04080	1.2
140.04288	0.8
150.04109	1.0
151.00372	3.5
160.26593	0.8
161.02403	0.9
185.62350	0.8
193.05040	3.2
199.04028	3.5
215.03415	1.0
227.03442	3.7
242.02150	2.1
243.03027	17.6
244.03510	1.8
255.03026	10.1
257.04590	3.6
270.01709	2.1
270.04626	1.0
271.02484	28.0
272.02975	2.3
277.41797	0.9
285.03976	6.1
286.04803	1.8
287.05453	1.0
298.98486	1.7
299.01996	35.5
300.02682	13.1
314.04327	52.1
315.05069	32.8
316.05426	1.9
492.19263	1.0
623.16180	100.0
624.16608	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09632	1.1
57.03439	5.1
59.01359	1.4
61.98833	2.8
71.29578	1.4
75.59426	1.3
75.73341	1.2
81.03433	1.9
83.01396	1.8
88.98798	2.6
95.05050	1.4
97.02953	2.1
107.05054	1.4
109.02969	8.7
121.02979	3.6
123.04543	9.1
125.02455	22.1
131.05042	2.2
133.02950	2.7
137.02438	8.0
139.04053	2.4
147.04555	1.8
149.02435	3.5
151.04025	11.0
159.04489	4.0
161.02440	3.9
161.06087	1.5
163.00435	6.1
163.04018	4.0
164.01120	5.3
165.01913	5.3
166.06326	1.5
167.03520	1.7
171.04492	2.4
175.04044	7.5
177.01953	7.1
177.05574	1.1
179.03458	2.9
185.06241	1.7
187.03995	13.5
189.01891	1.9
189.05360	1.5
190.02650	1.3
191.03485	2.6
197.02321	1.4
199.04073	3.0
201.05495	1.2
203.03462	5.3
203.07133	2.8
204.04100	1.5
205.01376	3.7
205.05070	5.3
215.03529	14.1
216.03917	1.7
217.05038	1.8
219.02962	5.0
225.01985	1.7
227.03448	3.3
229.05057	4.3
231.02997	2.5
232.03702	1.4
233.04576	9.5
236.18814	1.2
241.05049	5.2
241.30151	1.1
243.02994	69.8
244.03407	4.9
245.04637	1.5
245.08221	3.1
255.03000	7.7
256.03680	3.4
257.04468	2.7
261.04120	7.8
269.04593	2.1
271.02493	100.0
271.09763	2.5
272.02853	9.7
273.04095	5.9
281.04474	3.0
283.02518	2.7
285.03912	2.8
287.05539	1.8
289.07239	20.7
290.07437	1.8
297.04160	2.3
329.06738	2.9
339.08716	6.1
351.04898	2.4
355.04623	7.7
357.06061	1.5
369.06128	1.3
379.04602	2.0
381.09894	4.8
397.05719	14.9
407.07767	58.4
408.08115	8.9
409.05539	3.2
425.08813	19.1
426.09238	3.1
534.12744	1.1
537.64880	1.4
543.09467	2.5
561.10352	10.6
562.11017	2.5
669.12408	1.6
687.13580	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13509	0.8
57.12039	0.7
57.86464	0.7
59.01371	3.2
61.98827	6.1
62.33747	0.6
63.00343	0.7
69.03440	1.2
69.18179	4.8
71.01388	1.5
81.03473	1.3
82.43637	0.6
83.01392	5.7
83.05036	0.8
85.02941	0.8
89.02456	1.6
93.03476	1.5
95.01395	1.2
97.02959	2.7
101.02429	1.6
104.92516	0.8
108.02212	3.5
109.02962	11.9
113.02512	0.7
119.05033	1.2
121.02962	6.9
122.03759	8.3
123.04526	10.6
124.01672	3.3
125.02473	3.8
134.03729	2.2
135.04515	3.7
136.01651	2.1
137.02457	20.4
138.03195	2.2
139.03992	2.2
145.02963	1.9
146.03752	1.3
147.04533	2.9
149.02461	7.4
149.06094	2.5
150.03230	2.0
151.04037	5.1
151.60374	0.7
154.02696	1.2
159.04550	3.4
160.05362	1.0
161.02477	3.9
161.06120	5.9
162.03177	2.2
163.00369	1.4
163.04033	9.0
164.01192	4.2
164.04742	1.5
165.01949	17.3
165.05560	1.3
166.02362	0.9
171.04478	1.1
175.04010	2.4
175.07637	1.0
176.04956	0.8
177.01942	6.1
177.05473	1.6
179.03505	2.7
185.06149	1.1
187.04073	2.0
188.04797	1.8
189.01898	0.9
190.02693	2.2
191.03525	7.3
192.04192	0.9
197.06079	1.0
199.07648	1.0
201.05629	2.9
202.06317	2.4
203.03545	1.6
203.07137	5.4
204.04259	1.7
204.07811	0.9
205.05043	8.1
213.05569	1.5
215.07201	2.1
219.10248	1.4
226.06432	1.3
227.07275	1.2
228.07877	1.1
229.05057	1.4
231.03101	1.1
239.07176	1.4
241.08669	1.4
243.06496	1.0
243.10304	0.8
244.07451	2.0
245.08099	1.4
247.06136	2.2
255.06679	1.4
257.08112	0.9
268.07523	0.9
269.08191	1.5
271.02631	0.9
283.06137	1.5
283.09644	1.5
285.07739	2.6
286.08398	0.9
288.06415	0.9
297.07816	1.6
298.08484	2.8
299.09317	2.3
301.07303	0.7
315.05219	0.8
327.08762	5.1
331.52008	0.8
407.15005	1.5
518.99323	0.8
523.18384	1.7
535.18274	7.5
536.18701	1.4
624.16620	2.0
643.24060	5.1
644.24622	1.1
687.22955	100.0
688.23346	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
64.00051	5.7
66.97071	5.8
70.46185	9.3
70.46497	8.4
71.19099	5.7
78.95908	12.2
92.61506	5.5
95.55453	6.1
141.86971	5.4
145.72333	6.3
146.35295	5.9
161.49493	7.7
196.89529	17.0
284.06570	6.0
303.09265	16.0
419.12238	40.6
420.12573	8.0
687.24548	100.0
688.24646	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63386	1.6
55.28518	1.2
55.51588	1.2
56.67885	1.4
57.03440	1.9
58.00596	3.2
59.01385	68.8
70.48286	3.1
71.01387	52.6
72.99302	4.0
85.02975	6.9
89.02451	71.8
90.02733	1.7
93.03457	3.7
96.96034	1.7
97.98845	1.5
101.02453	4.7
108.02131	1.5
109.02972	1.3
113.02454	7.1
119.03487	2.2
121.02969	12.4
122.03768	9.1
125.02387	2.0
126.03639	1.5
131.03522	11.5
135.08113	1.3
136.01686	2.3
136.05298	3.0
149.02458	54.7
149.04434	12.3
150.03238	63.8
151.03647	1.4
153.09213	3.5
162.03271	3.4
164.04802	9.3
165.04147	3.0
165.05574	62.1
165.09230	1.9
166.05940	2.9
175.22064	1.4
177.03369	4.7
177.05594	2.6
180.04248	5.4
195.06636	32.0
217.10872	7.0
255.10217	1.9
283.09726	10.4
284.10120	1.5
294.08783	1.7
295.09503	2.3
296.10269	1.8
310.12073	2.3
311.09277	31.6
311.12613	1.2
312.09695	4.6
314.11771	2.1
325.10815	2.9
326.11639	27.2
327.12247	6.0
329.13907	2.2
341.13940	58.2
342.14236	6.2
413.14221	1.8
431.14362	1.7
445.16568	3.4
446.16949	1.6
459.14648	1.9
474.16882	7.7
489.19217	100.0
490.19553	17.9
507.20050	2.0
519.19440	2.1
537.21375	3.9
639.24414	4.3
687.26093	10.1
687.36749	13.1
688.26276	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06131	0.7
54.47677	0.6
57.03436	1.3
58.02978	6.8
59.01348	2.3
59.12357	0.5
61.06312	0.6
61.48045	0.6
61.98806	1.0
66.43127	0.5
69.03386	0.8
70.61274	1.4
70.61623	1.0
71.01347	1.7
74.02485	16.8
75.70835	0.6
83.05035	0.8
85.02896	0.6
88.98824	0.6
89.02458	4.0
93.03394	0.7
95.04998	0.6
96.95946	0.6
97.06601	3.2
99.04517	0.8
99.05654	9.5
101.02434	0.9
107.06113	0.7
109.06564	1.9
111.08119	1.8
118.87132	0.6
121.02943	0.8
121.06641	0.8
123.04517	1.3
123.08186	9.4
123.67028	0.6
125.02422	2.3
131.04611	2.7
135.08151	1.2
136.05319	7.6
137.02391	2.0
141.09253	4.7
143.04636	41.1
147.38210	0.6
149.02484	1.3
149.06079	2.1
150.03246	1.2
150.06909	1.2
153.09219	4.6
157.08807	0.6
159.06619	0.7
159.65150	0.6
161.02541	0.7
164.08435	0.9
164.25136	0.7
165.01939	2.1
165.05609	2.0
165.09235	6.6
177.03407	100.0
178.03763	3.1
187.09767	37.6
188.10089	1.4
190.91420	0.6
191.03152	0.6
217.10800	10.0
218.11185	0.9
289.07413	0.9
337.20227	8.1
341.13965	1.7
351.21313	0.7
489.19025	1.5
499.25452	1.0
507.30475	1.4
543.24530	0.8
574.67340	0.7
669.34973	1.2
687.36652	35.4
688.37244	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.8
60.40950	1.1
61.98825	8.5
68.99805	2.6
71.01388	12.8
72.99305	1.8
73.02938	2.2
81.03417	1.8
83.01351	1.7
83.05039	6.6
84.02166	1.4
85.02927	1.6
87.00867	1.8
89.02445	3.1
91.12673	1.1
97.02945	2.3
98.22477	2.5
99.00892	1.4
101.02438	5.4
103.00383	3.0
111.04539	6.5
111.08138	1.4
113.02451	3.2
116.41929	1.3
123.08154	1.6
125.09726	4.8
135.08257	1.2
151.11270	2.7
153.09259	1.4
153.12874	1.1
161.04584	2.2
161.09715	4.5
163.11284	4.4
169.12437	1.7
171.10274	37.5
172.10625	3.2
177.09152	3.0
179.10751	6.4
181.12445	1.4
191.10757	2.1
197.11815	12.0
198.12141	3.7
200.94534	1.2
201.11273	2.4
205.08688	9.0
207.10262	2.5
209.11833	100.0
210.12183	9.3
213.11301	3.6
223.09766	22.8
223.13220	2.4
225.11287	4.3
227.12885	14.1
228.13313	1.7
229.31407	1.4
235.08205	3.9
241.10756	2.3
253.09363	9.6
323.95929	1.3
333.02686	1.1
407.19183	1.8
445.21274	1.4
459.18402	3.3
477.19662	1.6
651.30243	2.8
669.31000	6.0
687.32336	13.7
688.32623	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.2
59.01381	8.1
61.98820	1.8
62.63626	0.5
62.85406	0.6
69.03458	5.6
71.01391	6.7
71.05007	1.9
73.02937	1.1
80.02682	1.6
81.03455	1.9
83.01396	1.1
83.05025	6.4
84.02183	1.4
85.02946	1.8
86.86575	0.9
87.00882	1.6
89.02445	3.6
95.01376	0.7
95.05019	1.5
97.02951	0.7
97.06599	1.7
98.21788	1.2
98.22485	2.6
99.00932	0.7
101.02431	4.5
109.06594	0.7
113.02477	2.2
119.03486	0.6
123.08180	1.6
125.09755	2.8
126.90373	0.8
129.54097	0.6
135.08188	1.6
137.02483	0.6
143.03511	0.7
151.11325	3.0
153.12793	0.9
161.04623	1.7
161.09689	3.6
163.11301	6.2
165.12849	2.4
171.10309	2.1
179.10773	9.5
181.12349	0.8
185.11943	0.8
191.05695	1.3
191.10759	1.9
197.11850	51.3
198.12244	2.9
207.10275	1.3
209.11847	78.0
210.12189	6.1
223.09805	2.4
225.11290	1.6
227.12877	7.1
241.10782	3.3
251.27275	0.6
253.09328	4.0
459.18430	0.9
469.71695	0.6
470.46857	0.7
477.19571	3.1
491.88348	0.6
525.27118	0.8
552.50995	0.8
651.29718	0.8
669.31427	1.9
687.32275	100.0
688.32715	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.36
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.2
57.03455	1.8
57.85744	1.0
59.01384	7.7
69.03459	1.3
71.01392	14.5
73.02950	7.7
80.96152	1.3
83.01411	2.4
83.05051	1.7
84.93166	1.1
85.02953	8.1
89.02455	3.7
97.02980	6.5
99.00903	2.8
101.02441	16.4
107.05046	1.4
108.05840	4.2
109.02972	3.7
109.06618	1.9
111.04530	5.4
111.08139	2.0
113.02488	6.7
113.06097	7.4
118.75851	1.1
119.08698	2.3
121.06664	1.4
122.03746	7.4
123.04608	1.4
123.08175	5.9
123.09030	1.1
125.02470	1.2
125.06087	9.0
126.90424	4.2
136.05290	8.9
137.06094	4.6
138.06892	12.9
139.07652	22.3
148.05316	4.0
149.06068	3.1
150.06862	2.7
151.07661	49.1
152.04749	6.3
152.08446	22.2
153.09230	9.4
159.11862	1.3
161.04587	4.6
161.09760	2.9
162.53276	1.1
163.07661	7.5
167.07147	2.2
179.10806	2.0
186.10312	1.6
189.09227	2.5
201.12856	15.3
203.10741	8.4
204.11566	30.9
205.11838	2.9
219.13899	41.8
220.14291	2.6
263.12894	55.3
264.13272	4.1
265.34399	1.1
291.18140	14.0
320.33145	1.2
384.19806	1.3
415.20615	1.2
423.22385	100.0
424.22678	10.2
524.33368	1.9
525.34235	3.1
654.60120	1.6
685.25323	1.4
687.29590	3.0
687.39575	13.7
688.38965	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22174	1.1
57.03451	2.7
58.00596	1.3
59.01387	40.0
59.59419	0.9
60.87748	0.8
61.81102	0.9
61.98845	2.1
67.79335	0.8
69.03461	1.6
71.00986	2.0
71.01385	38.5
71.32024	1.2
72.99315	2.4
73.02951	14.2
83.01392	6.3
85.02478	1.9
85.02957	20.0
87.00886	3.6
89.02456	7.9
95.01421	2.7
96.96049	1.1
97.02971	1.6
99.00905	6.6
101.02460	33.9
109.02961	1.0
111.00883	1.1
113.02464	16.7
119.03568	1.3
120.01301	1.5
123.04546	1.4
125.02452	2.5
131.03519	20.5
135.48227	0.9
136.05318	1.6
137.02477	4.8
140.36143	0.9
143.03532	2.8
148.05348	1.1
149.06142	1.3
150.06889	6.2
151.04042	2.0
159.03004	2.9
161.04578	18.2
162.06946	1.7
163.07614	4.6
164.08340	1.3
165.01950	3.6
177.09242	2.0
179.10765	4.5
191.05888	1.0
192.08018	1.3
193.08594	2.3
209.11900	2.6
235.33711	1.0
333.24323	2.5
344.75482	0.9
495.29663	100.0
496.30023	16.6
525.34003	3.8
539.28656	1.3
627.33899	27.9
628.34265	5.9
651.32300	1.0
687.29431	4.2
687.40277	18.3
688.39703	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.2
57.03434	3.1
59.01385	36.8
61.98836	2.0
69.03405	1.0
70.28212	3.5
71.01388	32.9
72.99292	1.5
73.02953	14.2
83.01391	6.3
85.02961	18.6
86.55363	1.2
87.00877	2.7
89.02466	8.0
95.01406	2.1
97.02982	1.3
99.00896	5.4
101.02449	30.0
102.02774	1.2
113.02458	12.8
119.03514	2.3
122.03719	1.3
125.02465	3.3
129.01959	1.2
131.03519	13.4
133.06583	0.8
135.08124	1.1
137.02414	1.7
143.03529	2.1
150.06886	2.2
159.02983	2.3
161.04562	13.7
162.06906	4.7
163.07579	1.6
165.01973	1.8
165.09195	1.3
171.10338	2.0
177.09262	2.1
179.05656	1.1
179.10762	1.9
186.26765	1.1
191.05467	1.1
207.10205	1.1
209.11835	5.3
225.11375	2.2
227.12836	1.5
253.09172	1.4
333.24280	2.5
421.30215	1.3
495.29688	100.0
496.29999	15.6
525.33972	1.7
539.28583	1.7
627.33917	21.5
628.34521	5.1
643.37164	5.1
669.39252	1.8
687.28699	2.5
687.40363	11.0
688.39319	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.36
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.7
59.01375	2.7
61.98825	0.9
69.03448	0.6
70.29748	1.4
70.30125	0.6
71.01381	1.4
85.02999	0.9
87.00883	1.1
89.02453	0.7
97.06612	1.6
100.46365	0.6
101.02470	0.5
106.07170	0.5
109.06580	1.0
111.04472	0.6
121.06599	1.2
122.03700	0.8
123.04523	0.7
123.08151	0.7
127.07659	0.8
127.90910	0.5
135.04492	0.8
136.05312	23.8
137.02487	0.7
137.05980	1.1
139.07651	1.4
147.08197	0.8
148.05362	1.1
149.06079	5.1
150.06908	3.0
153.09229	0.6
162.06870	1.7
163.07668	3.4
164.08441	3.4
165.09215	21.5
166.09575	1.2
168.71378	0.6
173.08182	3.2
179.10721	1.0
199.02321	0.5
203.09146	0.8
215.09323	0.8
242.46515	0.5
245.10332	2.1
306.18420	0.9
321.20706	3.8
329.19647	4.7
350.20874	2.4
351.21707	0.8
359.20789	0.9
371.94992	0.5
413.27017	0.9
443.27942	1.1
477.28720	1.2
479.30225	2.0
494.44562	0.6
495.29660	11.0
496.29874	1.8
507.29810	0.8
524.29889	2.0
525.22827	0.7
525.30591	11.7
526.31061	2.0
598.93054	0.6
617.68115	0.6
687.36005	100.0
688.36292	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
59.01377	0.8
68.71958	0.8
71.01392	1.5
73.02973	0.9
83.05049	1.4
89.02466	3.1
95.05039	1.1
97.06613	5.9
98.22525	2.4
99.04512	1.7
109.02969	1.1
109.06603	8.9
111.04535	2.4
111.08159	2.4
120.53183	0.8
123.08190	9.6
125.06152	1.3
135.04623	1.1
135.08171	7.0
136.05312	17.2
136.08440	0.8
137.02441	0.9
137.05969	0.9
138.06923	1.4
139.07669	1.1
141.09212	4.2
149.06102	4.4
150.06883	2.4
151.07671	1.2
153.09229	13.1
163.07620	2.3
164.08388	1.9
165.09207	14.8
173.08208	7.4
187.09778	21.0
187.11395	1.6
188.10147	1.6
203.09309	1.1
207.10327	1.1
217.10805	31.7
218.11292	1.9
227.35738	0.8
229.15118	0.8
298.52243	0.8
306.18417	1.7
307.19363	1.9
336.19205	1.3
337.20166	8.2
341.19803	1.4
351.21530	1.1
425.27219	1.4
507.29633	9.1
508.29913	1.4
525.30450	2.5
669.35077	8.7
687.36011	100.0
688.36340	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25670	0.8
55.01871	0.8
57.03451	1.8
59.01379	1.8
61.68731	0.8
67.07019	0.9
69.23859	0.8
71.01386	2.5
75.00864	0.9
75.10738	0.8
83.05054	1.8
87.00890	0.8
88.11137	0.8
89.02451	20.3
91.05534	1.2
93.03474	1.1
95.04999	1.0
97.06613	4.4
98.21796	2.0
99.04539	1.3
104.17809	0.8
109.02970	0.8
109.06609	13.7
111.04541	3.8
111.08156	1.6
123.08178	7.9
124.08543	0.9
125.02448	0.8
125.06119	1.1
125.09709	1.3
135.08176	16.2
136.05304	11.5
138.06860	4.9
141.09248	1.7
143.04712	1.1
149.06087	1.9
150.06891	1.2
153.09221	29.5
154.09552	1.4
163.07652	1.7
164.08398	1.2
165.09210	12.0
167.55508	0.8
173.08189	2.0
177.03442	3.5
187.09808	6.5
203.09250	2.8
207.10213	1.1
217.10814	86.4
218.11205	4.7
252.95787	0.8
289.07184	1.0
307.19196	2.6
336.19516	1.4
337.20334	2.3
417.26556	1.6
425.27100	1.4
507.29294	4.0
525.30597	2.2
669.35004	7.7
670.35022	1.5
687.36023	100.0
688.36298	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35382	1.4
57.03448	4.6
59.01368	5.2
61.98830	5.3
69.09036	7.4
69.09462	6.3
70.29443	1.4
71.01383	2.7
73.94595	1.6
78.95856	1.6
85.02964	2.1
89.02467	5.2
96.96044	6.1
97.06604	3.7
109.02979	2.4
109.06606	5.8
111.04498	2.8
113.02492	1.5
118.17921	1.5
121.06575	1.8
123.04519	2.6
123.08170	6.6
125.02465	3.6
135.04556	1.9
135.08194	4.5
136.05315	25.7
137.05943	1.5
138.06854	1.9
141.09264	3.5
149.02478	1.5
149.06134	4.0
150.06891	5.2
153.09225	14.7
162.51282	1.6
163.07675	3.0
164.08392	3.0
165.02078	2.5
165.09222	17.1
173.08223	5.5
187.09764	16.8
216.58339	1.7
217.10812	30.1
229.14476	4.9
232.11661	1.6
238.98703	1.3
321.20648	1.9
336.19772	2.1
337.20435	4.9
351.21924	2.6
425.27039	2.7
495.29800	3.5
507.29788	8.8
525.31104	4.8
669.34619	8.3
670.35291	1.7
687.36182	100.0
688.36768	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95536	0.4
57.03458	1.0
59.01391	3.8
61.98832	10.5
71.01380	3.0
71.32465	0.6
73.02950	1.4
83.01410	0.6
83.05012	0.7
85.02944	2.2
87.00888	1.2
89.02452	2.0
93.03470	0.7
96.95984	0.5
97.02934	0.7
99.04551	1.0
101.02481	1.4
109.02960	0.8
109.06606	0.9
113.02446	0.8
113.06093	0.5
121.02972	0.7
121.06545	0.4
121.11237	0.5
122.03777	1.2
123.00892	0.5
123.04516	0.9
123.08154	1.3
125.02460	2.3
125.09592	0.4
135.08176	1.0
136.05347	0.8
137.02477	4.1
137.06093	0.7
149.02478	0.7
149.06073	3.7
149.09718	0.4
150.03362	0.8
150.06882	37.3
151.04025	0.8
151.07307	1.6
153.09236	0.9
155.10796	0.4
161.02451	0.9
161.09709	1.0
162.06894	0.9
163.07674	8.1
163.11330	0.7
164.01170	0.5
164.08429	6.6
165.01953	4.0
165.05623	1.2
165.08919	0.9
171.10309	1.8
171.61278	0.4
172.05299	0.4
173.04628	0.4
176.08481	0.7
177.09239	1.2
178.10014	2.4
179.03523	0.6
179.10796	18.3
180.11142	1.4
185.11775	0.5
187.09906	0.6
191.05655	1.7
195.06647	0.4
203.07285	0.9
205.05080	0.7
205.08691	0.9
207.10367	0.9
209.11865	3.7
210.12093	0.8
211.64777	0.4
223.09857	0.5
225.11304	1.1
227.12962	1.0
232.56367	0.4
241.10873	0.9
253.09108	0.7
257.05536	0.4
269.17606	0.4
289.07385	0.8
303.56537	0.4
327.21552	0.6
343.25055	1.4
345.22861	5.4
416.32959	0.4
446.30475	0.9
461.32690	1.0
462.33737	0.6
464.31439	5.5
465.31793	0.6
478.33170	1.2
479.33774	7.2
480.34256	1.1
494.28940	0.5
495.29242	1.4
506.32718	1.9
507.33109	3.4
508.33316	0.7
524.33594	2.4
525.34399	24.2
526.34790	3.7
532.49353	0.5
616.62817	0.5
643.37018	1.0
669.30920	0.9
687.39716	100.0
688.40143	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3964
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
52.69709	0.8
57.03438	1.5
58.19698	0.9
59.01392	5.9
59.01632	0.9
61.98828	3.0
69.18316	0.9
71.01378	3.8
73.02961	7.6
83.05049	1.2
85.02988	3.0
87.00921	1.3
89.02447	3.5
90.13453	0.8
96.96051	1.3
99.04586	1.1
101.02451	1.8
101.23783	0.9
109.02972	2.3
111.04546	1.4
111.61971	0.8
113.02467	2.1
119.03512	0.9
122.03779	0.9
123.04536	1.5
125.02467	2.4
135.08197	1.1
136.05333	1.5
137.02463	2.9
149.06119	4.3
150.06868	39.2
151.03989	1.1
151.07443	1.6
162.06918	1.9
163.07655	14.1
164.08412	8.0
165.01932	1.9
171.10385	0.9
176.08514	1.1
177.09239	2.6
178.06430	1.1
178.10016	1.4
179.10783	24.9
193.08644	2.1
208.59947	0.9
209.11899	2.3
225.06012	0.9
225.11418	1.9
253.09335	1.3
261.65414	0.9
268.16537	0.9
304.66199	0.9
315.21930	1.2
315.83365	0.9
345.22943	2.5
436.28452	2.6
450.30096	3.5
451.30713	12.4
464.31345	1.5
478.33234	1.9
479.34024	4.0
506.32581	2.2
507.33365	2.9
524.33551	5.6
525.34613	13.9
526.34955	3.2
643.36493	1.8
687.31061	5.8
687.39819	100.0
688.28674	1.6
688.40063	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80615	1.1
57.03456	1.1
59.01377	4.4
68.53861	0.9
71.01384	5.2
71.31329	1.0
73.02949	2.9
83.01417	1.1
85.02964	3.8
87.00887	1.1
89.02484	1.2
97.02955	2.5
99.00901	1.4
99.04570	1.0
101.02467	2.9
108.12865	0.9
109.03026	2.2
111.04521	2.3
113.02489	1.6
113.06088	1.8
122.03734	1.6
123.04543	1.2
123.08186	3.8
125.02440	1.0
125.06107	2.3
126.90405	2.5
128.94957	1.1
133.25847	1.1
135.08211	2.5
136.05321	2.9
137.06145	1.5
138.06868	3.3
139.07661	6.3
148.05348	1.4
149.06120	4.4
150.06882	25.4
151.07687	12.6
152.04759	1.2
152.08485	5.3
153.09213	4.4
162.06863	1.4
163.07678	15.0
164.08440	4.9
171.10297	1.5
177.09258	2.3
179.10799	11.4
190.88116	1.2
191.05670	3.0
193.08585	1.1
201.12958	3.0
203.10786	2.1
204.11594	9.0
209.11916	1.7
219.13933	13.9
263.12881	16.2
264.13229	2.4
291.18393	3.1
301.14041	1.3
343.24939	4.3
345.22943	2.9
423.22391	21.7
424.22906	3.1
464.31445	3.9
478.33270	3.9
479.33627	6.8
506.32809	3.3
507.33429	2.6
524.33777	9.3
525.34320	16.4
526.34686	3.5
643.36334	1.6
687.39697	100.0
688.40057	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33585	0.3
57.03467	0.3
59.01382	0.6
61.15515	0.3
61.98862	0.4
65.43578	0.2
68.99576	77.9
69.12428	2.3
69.12771	0.2
69.99911	0.4
71.01375	0.5
83.41550	0.3
96.36341	0.3
96.96004	0.6
99.37248	0.3
101.02455	0.6
109.02941	0.6
112.98576	100.0
113.98924	1.1
114.93399	0.4
127.07542	0.4
128.90184	0.7
137.02455	0.4
161.04533	0.3
171.10190	0.6
189.78659	0.3
209.11732	0.8
289.07117	0.4
444.93484	0.3
463.13367	0.5
468.74396	0.3
515.19061	0.5
552.10663	0.3
575.20941	0.3
607.27130	1.7
671.12366	0.3
689.19910	2.7
689.30548	0.6
690.20703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29784	1.0
57.02161	1.4
57.03434	1.3
59.01382	53.1
61.56024	1.0
61.98827	8.8
69.03471	1.8
71.01356	5.7
72.02013	1.1
72.99311	15.0
73.02946	3.3
80.74920	1.2
83.05029	2.3
85.02966	2.0
87.00874	2.8
89.17194	1.1
93.03481	1.6
95.05043	2.5
97.02949	8.3
97.06603	1.6
98.22633	2.2
99.04526	100.0
100.04874	2.3
101.02476	1.5
107.05051	1.6
109.02963	2.0
109.06590	2.2
111.08144	1.6
125.02509	1.4
137.06096	13.0
139.07632	1.3
145.02913	1.7
147.02699	1.0
147.08246	1.0
149.06119	1.0
152.99620	1.0
163.07668	4.0
163.11301	1.4
171.10320	7.0
187.07689	1.7
189.09157	2.2
191.05612	2.4
197.06024	1.2
197.11794	1.8
199.63777	1.3
201.09315	1.3
201.11319	2.5
207.10315	2.3
209.11845	24.2
210.12177	1.3
211.13437	8.8
225.11337	3.9
227.12971	3.6
239.10878	1.5
242.82756	1.1
251.10750	1.4
253.09300	3.0
255.00830	1.2
257.11917	1.5
265.12314	1.8
267.10223	1.5
272.57693	1.2
291.19666	1.4
293.11819	2.0
301.10928	1.9
309.11374	3.6
327.12668	1.8
331.11868	1.7
337.82724	1.2
355.11920	1.4
365.17654	1.4
367.15570	2.1
369.17441	1.1
385.16522	2.1
423.21973	2.2
441.18896	1.4
467.20804	6.9
471.16858	2.7
483.20358	2.4
485.22009	1.4
485.32657	1.4
491.33673	4.1
501.21515	4.9
511.19867	11.7
512.20172	2.8
519.22156	12.2
529.20905	17.3
530.20801	2.0
547.21783	2.4
571.21783	1.4
589.23132	4.2
601.26733	7.7
611.24750	2.1
629.26074	7.9
647.27173	6.0
648.27167	1.7
671.26678	10.5
672.27252	3.3
689.27820	23.2
690.28424	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	60.0
61.98829	10.8
66.92462	1.8
69.03762	12.6
73.02937	2.2
85.00433	3.2
85.70242	1.9
99.04527	100.0
100.04875	3.6
101.06107	2.0
137.02423	2.1
138.70045	1.9
165.01955	2.0
242.26567	1.9
253.12376	2.1
261.12927	3.5
273.11343	2.0
274.55740	2.0
279.13861	4.6
295.13556	3.6
297.14938	4.1
305.39670	2.1
341.13974	4.4
423.21774	5.2
449.19785	3.7
455.18353	2.1
467.20981	6.9
485.21933	5.1
503.22897	40.1
504.23221	6.1
521.23969	59.3
522.23938	7.2
563.25012	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70839	1.7
59.01384	11.1
61.98833	47.0
68.68562	1.6
71.01394	13.6
71.05029	3.7
71.31553	1.7
71.31967	2.7
73.02948	2.6
80.02653	2.0
83.01398	2.3
83.05018	5.5
85.02983	2.2
85.57397	1.6
86.62208	1.5
87.00890	3.0
89.02456	5.0
93.74103	1.6
97.02959	2.2
97.06591	1.8
99.00904	11.4
101.02444	7.7
109.06594	2.2
113.02402	3.3
125.02421	1.5
125.06054	1.7
125.09727	6.6
126.92590	1.6
127.11273	1.5
135.08209	2.5
137.80193	1.8
148.84146	1.7
160.84206	1.8
161.04514	2.5
163.11252	14.0
171.10266	9.0
181.12369	15.8
191.05699	4.1
197.11852	8.2
199.13397	18.8
200.13760	2.9
201.11423	2.1
203.32811	1.5
207.10269	31.5
208.10634	2.6
209.11841	89.4
210.12210	7.0
211.13358	14.6
225.11324	60.3
226.11742	4.9
227.12923	12.6
235.08310	4.1
243.12407	17.1
253.09322	8.6
273.17154	2.3
291.19766	5.4
336.09070	1.7
370.80890	1.6
443.19415	2.5
461.20288	12.2
479.21353	3.5
653.32080	4.4
671.32965	3.7
689.33917	100.0
690.34216	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24724	1.2
55.40150	1.2
57.03454	1.4
59.01379	6.4
59.19799	1.3
69.03467	1.4
71.01389	41.3
73.02956	3.6
80.02647	1.5
81.03449	3.4
83.05025	6.5
84.02164	1.2
85.02963	3.1
89.02475	1.7
91.62962	1.2
95.04994	1.8
95.83276	1.2
97.02983	1.9
98.21895	6.5
98.22585	2.3
99.00879	1.6
101.02444	2.1
109.06594	3.4
113.02449	3.0
115.54112	1.2
125.09696	2.6
155.10846	2.0
161.04504	1.6
161.09729	1.5
163.11296	6.5
171.10271	33.6
172.10623	1.6
181.12302	3.5
185.11783	2.2
197.11823	1.8
199.13469	1.7
201.11336	19.8
207.10265	14.2
209.11845	100.0
210.12167	9.4
215.12863	2.4
225.11348	22.9
226.11584	2.0
227.12903	12.1
235.08250	3.9
243.12288	2.2
250.66595	1.4
251.12866	2.0
253.09294	9.8
254.09996	1.7
284.10971	1.2
306.51227	1.4
399.21808	1.5
403.17459	1.2
453.64914	1.3
461.20203	3.7
601.88525	1.3
602.41602	1.4
653.31006	2.1
671.33594	2.8
689.33716	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66331	1.3
55.06399	1.2
57.03440	1.8
59.01395	10.2
61.98829	2.7
63.37107	1.2
70.35659	2.0
70.36019	4.1
71.01385	8.8
71.05006	2.1
80.02682	1.6
81.03457	3.6
83.01396	2.0
83.05043	6.9
84.02171	1.6
85.02971	3.2
87.00890	2.3
89.02457	5.8
93.03497	1.3
95.05052	1.6
96.99947	1.5
97.02950	4.1
97.06612	3.2
99.00890	19.9
101.02431	6.3
101.59711	1.3
109.06604	3.5
113.02467	3.2
115.03986	1.3
120.31697	1.5
123.08147	1.8
125.02470	2.2
125.09773	9.0
130.43271	1.2
135.08211	1.3
137.02541	1.8
139.68188	1.3
139.74429	1.5
163.11314	15.6
164.11612	2.0
165.12843	2.4
171.10287	38.5
172.10638	2.1
181.12383	22.5
199.13419	14.0
200.14059	1.3
201.11351	7.2
205.69324	1.5
207.10292	30.0
209.11861	100.0
210.12146	7.2
225.11349	56.8
226.11687	4.3
227.12955	13.6
235.08238	4.2
243.12411	25.7
244.12775	2.7
253.09393	7.3
317.16211	1.4
407.19919	1.5
445.21039	1.6
461.20456	8.8
479.21411	12.3
490.01666	1.4
653.31482	1.6
671.32501	7.1
672.33539	1.7
689.33917	94.7
690.34271	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
57.03453	0.7
58.00598	1.1
59.01384	7.8
61.98827	3.1
65.00085	0.7
69.03445	0.7
69.15420	6.5
71.01392	8.1
73.02946	2.4
80.02699	1.3
81.03455	2.0
83.01402	0.8
83.05030	4.7
84.02170	0.8
85.02951	2.6
85.54589	0.6
87.00886	1.2
89.02444	3.1
93.03496	0.9
94.04985	0.7
95.01405	0.8
95.05030	2.3
96.95986	0.7
97.02961	1.9
97.06606	0.9
98.21862	1.1
101.02456	4.3
109.02952	1.0
109.06599	2.6
111.04511	0.7
113.02461	1.5
119.03511	0.7
121.02946	0.7
122.03753	1.0
123.04512	1.1
125.02475	2.3
125.09711	1.4
126.90436	0.8
127.04031	0.8
127.11244	1.0
131.35953	0.8
135.08200	1.3
137.02435	1.5
149.09709	0.8
153.09154	0.8
155.10808	0.9
161.04608	1.9
163.03996	1.0
163.11302	7.4
165.01938	1.2
165.12860	1.7
171.10287	58.8
172.10626	2.2
173.04633	1.2
175.07614	0.8
179.05679	1.1
179.10793	1.0
181.12404	2.1
185.11865	1.6
189.09186	0.9
191.05687	3.7
191.10800	0.9
197.11847	1.9
199.13403	1.2
201.11308	7.6
207.10263	8.8
209.11848	100.0
210.12148	5.8
215.12915	0.8
225.11348	33.2
225.79099	0.7
226.11705	2.0
227.12939	16.2
235.08240	3.8
238.35141	0.7
243.12405	4.5
253.09315	10.8
254.09583	0.7
263.12955	0.8
407.19373	1.8
443.19391	1.1
445.20880	1.7
461.20380	4.3
463.22171	1.1
507.50519	0.7
635.30701	1.2
645.38202	1.7
653.31891	2.5
671.32813	2.5
689.33191	2.5
689.38251	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	45.8
61.98837	57.9
71.01407	13.8
71.31407	8.9
71.31847	11.3
78.95905	36.8
89.02468	17.2
92.64719	8.5
101.02447	22.3
109.51485	8.8
113.02451	9.6
124.19621	9.3
125.02481	40.4
137.02327	8.1
152.99567	18.4
171.10231	8.0
181.75388	8.4
209.11790	18.5
235.08134	10.6
255.23250	32.4
293.21176	9.4
303.17337	8.2
306.90250	7.9
353.46494	8.4
397.13461	85.2
415.14606	30.4
467.31589	100.0
468.31845	19.5
653.37573	14.4
657.33765	14.2
689.35034	78.0
690.35895	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	11.4
61.98846	14.3
70.58978	18.4
70.59317	14.9
71.01404	11.4
89.02447	14.1
92.07809	8.2
126.00830	8.7
130.56847	8.3
141.51128	8.9
248.00146	11.5
255.23352	57.7
327.59091	9.9
352.66202	10.2
397.13489	100.0
415.14590	36.2
623.16376	10.6
689.35132	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57244	0.7
59.01377	2.8
62.96398	0.9
78.95914	29.6
81.03487	1.4
83.05022	1.4
96.96967	3.0
97.02946	4.8
109.05920	1.5
109.06599	18.2
110.03709	1.1
121.06614	1.4
126.83013	0.9
135.08217	1.6
142.02724	2.2
152.99603	43.7
154.00072	1.1
161.09784	1.2
163.11319	9.1
171.00647	3.3
181.12379	7.9
207.10271	31.4
208.10617	2.7
225.11342	33.7
226.11673	2.7
227.03300	3.5
245.04274	1.2
253.21736	24.5
254.22185	1.9
361.10611	8.1
362.10583	1.3
435.14322	7.1
453.15332	100.0
454.15588	11.3
689.36719	41.1
690.37201	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
58.02977	0.5
59.01391	2.4
61.98817	0.5
71.01388	1.8
71.32201	1.0
73.02956	0.5
74.02489	1.0
78.95904	0.6
79.95726	0.6
81.67657	0.5
83.01361	0.5
83.05017	0.5
85.02969	0.7
89.02451	6.7
93.03487	0.5
94.98093	0.8
96.96008	7.0
97.02970	0.5
99.04536	0.6
99.05644	0.6
101.02424	0.9
109.02970	1.3
109.06614	1.6
111.04514	1.3
111.08147	0.8
111.48264	0.5
113.02487	0.5
116.92845	1.0
121.06588	1.6
122.03700	0.8
123.04550	0.9
123.08157	1.1
125.02435	3.2
135.04549	1.3
135.08176	1.4
136.05307	29.5
137.02493	1.1
137.05699	1.0
137.09659	0.6
139.00388	0.5
139.07617	0.8
141.09412	0.5
143.04602	2.4
147.08125	0.9
148.05350	0.9
149.06076	5.8
150.06897	2.2
151.00386	0.5
151.03986	0.6
151.07687	0.9
153.09218	1.0
154.09645	0.6
161.02432	1.0
162.06880	1.7
163.07684	1.7
164.01146	0.7
164.08441	2.6
165.09219	29.8
166.09572	1.3
173.08244	0.5
175.04028	0.6
177.02014	0.9
177.03395	5.3
177.09273	0.6
179.03465	0.6
187.09785	0.9
203.07164	0.6
207.10448	0.6
217.10837	2.9
218.11156	1.3
219.11414	0.6
269.04684	0.6
284.03284	0.6
285.04062	1.0
289.07260	1.3
297.07193	0.5
301.03513	0.7
307.19110	0.6
321.20557	1.0
331.21365	4.5
332.21558	0.5
350.21124	0.8
355.09634	0.5
361.22363	1.9
383.55246	0.5
394.19858	0.5
399.00217	0.8
432.57254	0.6
437.29370	0.9
451.30823	1.5
464.31418	1.3
465.32269	0.9
479.30292	1.7
480.30905	1.4
481.31750	7.5
482.32129	1.1
497.31134	10.3
498.31558	1.1
509.30902	0.9
514.89996	0.5
526.31256	2.9
527.24500	1.0
527.32227	13.1
528.32813	2.0
671.35455	0.7
689.37531	100.0
690.37891	22.7
709.29694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54140	0.2
59.01385	100.0
60.01726	0.9
61.98838	0.4
69.03452	0.5
97.02972	0.6
98.21803	0.5
115.66046	0.2
139.07658	0.3
143.86543	0.3
229.28596	0.3
297.18930	0.3
341.17542	4.4
341.21182	0.3
342.17838	0.5
350.96960	0.2
491.31918	0.3
527.35828	0.2
585.39526	12.8
586.39874	3.4
629.38354	4.1
630.39124	1.1
647.54346	0.2
689.40143	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	10.9
70.85699	15.9
89.82604	8.9
97.44533	8.8
101.00706	9.1
246.43697	8.4
256.95032	9.7
257.04672	10.7
272.06912	10.7
308.56796	9.9
313.10696	12.8
327.08746	13.3
341.10236	21.9
356.12692	37.3
357.13290	10.8
371.15131	56.7
403.17456	86.1
404.18225	14.1
485.21863	100.0
486.22156	15.0
538.14252	10.4
604.21472	9.4
634.83929	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43979	4.2
63.81516	3.9
71.01396	5.6
74.73037	4.0
90.73493	4.0
98.22370	20.3
114.33189	3.7
116.06226	3.9
118.01010	4.0
207.77977	3.7
209.11800	13.3
242.02350	7.2
257.04572	8.2
261.48209	3.9
272.06985	11.2
291.57974	4.5
313.10764	14.6
326.07892	13.3
327.08780	5.3
341.10364	20.7
356.12695	40.7
357.13263	9.9
358.10596	5.9
371.15009	47.0
372.15646	5.0
388.15225	6.3
403.17603	99.1
404.17932	13.0
480.50601	5.0
485.21814	100.0
486.21899	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.0
59.44741	0.4
61.46553	0.4
61.98837	1.1
70.43034	0.4
71.01373	0.7
78.95899	0.4
84.00910	1.1
101.02444	0.8
113.02419	0.9
209.11765	0.6
423.32690	1.9
441.33826	1.3
442.34274	0.4
467.31619	0.7
485.32755	100.0
486.33087	20.6
499.34155	0.5
527.33765	1.5
647.37976	1.3
648.38086	0.6
690.38232	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.5
61.98835	25.9
71.01374	3.8
71.32321	2.3
72.99294	2.2
76.73566	1.8
84.00908	2.6
87.38236	2.1
89.02516	2.0
99.04527	12.3
115.81973	1.7
119.03531	2.6
119.72813	2.0
127.84198	1.8
137.05803	2.2
162.83942	3.8
164.83681	9.1
191.05573	3.0
197.11935	2.7
199.55101	1.8
207.10289	2.2
209.11827	8.6
210.12277	4.5
211.13440	6.3
212.13756	2.9
415.98529	2.0
456.06265	1.9
485.32773	100.0
486.33105	17.5
520.30450	2.1
654.29559	2.0
690.38287	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.5
61.98835	25.9
71.01374	3.8
71.32321	2.3
72.99294	2.2
76.73566	1.8
84.00908	2.6
87.38236	2.1
89.02516	2.0
99.04527	12.3
115.81973	1.7
119.03531	2.6
119.72813	2.0
127.84198	1.8
137.05803	2.2
162.83942	3.8
164.83681	9.1
191.05573	3.0
197.11935	2.7
199.55101	1.8
207.10289	2.2
209.11827	8.6
210.12277	4.5
211.13440	6.3
212.13756	2.9
415.98529	2.0
456.06265	1.9
485.32773	100.0
486.33105	17.5
520.30450	2.1
654.29559	2.0
690.38287	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65339	2.0
59.01391	9.1
61.44540	1.7
61.98841	22.6
69.22003	9.7
69.22420	5.0
71.01402	8.4
84.00924	4.1
89.02459	6.2
90.38101	1.9
99.04536	85.7
100.04889	2.4
101.02470	5.6
113.02473	7.2
114.02007	2.3
119.03533	6.5
123.04575	3.6
125.02467	3.2
126.02079	2.1
141.05608	10.2
161.04587	5.6
171.10126	2.3
179.05583	3.3
197.11913	10.1
204.05197	2.6
209.11887	8.3
210.12199	3.3
261.09686	2.8
316.37772	2.0
341.31131	2.4
385.27509	1.8
423.32776	5.9
424.33176	2.4
467.31665	2.5
485.32736	100.0
486.33057	19.4
527.34045	4.2
647.37579	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47388	0.3
57.03447	0.9
77.44364	0.3
79.95744	3.2
96.96021	100.0
97.95978	0.3
98.21722	0.7
109.02960	1.3
121.02967	0.6
123.04517	0.7
125.02457	5.2
137.02411	1.5
149.02405	0.6
151.04036	1.0
163.03999	0.4
164.01230	0.4
165.01906	0.4
175.04019	0.9
177.01950	4.9
187.03949	0.7
188.04848	0.4
189.01965	0.9
203.07133	0.6
217.04958	0.3
219.81885	0.3
229.04999	0.5
231.03041	1.1
232.97705	0.5
245.08121	0.7
255.03075	0.9
256.03680	0.5
273.04211	0.7
274.98743	0.4
281.04425	0.4
289.07242	2.7
303.05099	0.7
306.75412	0.4
314.37332	0.3
335.02817	0.3
371.00885	1.8
402.78708	0.3
407.07916	3.6
408.08151	0.9
425.08835	5.3
426.09229	0.7
448.81882	0.4
455.38657	0.3
463.03738	0.7
467.09647	0.4
479.03027	3.6
480.03473	0.4
493.01111	0.5
497.04144	0.4
505.04483	0.6
575.11377	0.4
593.13031	1.5
594.13733	0.4
631.07532	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73655	0.4
50.73920	0.4
57.03473	0.5
59.01376	0.8
59.68404	0.4
66.07656	0.5
67.01883	0.5
70.88395	0.8
71.01384	1.7
83.05056	0.6
84.90347	0.4
85.02948	8.0
85.36346	0.5
87.00882	1.6
88.57722	0.5
93.03461	5.0
93.88723	0.5
103.26852	0.4
108.02207	0.8
109.02966	3.4
111.04512	1.7
115.00351	1.4
119.05036	6.9
122.03758	0.6
127.04009	2.8
133.02980	0.6
134.03752	1.2
134.23845	0.5
135.04543	18.3
136.04865	0.8
137.02463	0.7
151.00439	0.4
154.79918	0.4
155.03493	1.5
161.02466	1.1
163.04021	10.6
164.04475	0.7
165.04164	0.5
167.27539	0.4
173.04562	5.8
179.03514	13.9
180.03809	0.6
191.05620	100.0
192.06062	2.9
210.75429	0.5
211.58200	0.5
226.06299	0.6
227.07141	5.6
239.07220	0.5
255.10304	8.2
256.10583	1.5
281.08023	0.8
299.09213	0.8
325.07309	0.5
337.09317	3.4
343.08261	6.6
344.08554	1.3
353.08786	10.6
353.12915	0.9
463.10815	0.6
517.13574	5.7
518.13824	1.1
574.07074	0.4
691.18842	12.8
692.19086	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01669	1.0
58.65641	0.9
61.28616	0.8
70.89272	2.7
83.05031	1.8
85.02963	12.5
87.00867	1.9
93.03467	9.5
97.24070	1.1
109.02949	8.1
111.04553	5.6
119.05035	25.8
120.05389	1.4
122.03777	1.1
127.04013	2.1
133.03018	1.4
133.06572	1.1
134.03735	3.6
135.04539	96.1
136.04872	5.0
137.02440	1.8
155.03500	4.7
161.02472	3.7
163.04022	39.0
164.04361	1.9
173.04535	13.3
179.03514	68.5
180.03831	3.3
183.43243	1.0
191.02034	6.7
191.05621	100.0
192.05974	4.4
239.07076	1.8
253.08757	1.3
255.10297	24.1
256.10693	2.1
299.09351	3.1
325.07172	2.4
337.09384	9.2
338.09518	1.5
343.08218	4.5
353.08783	55.4
354.09241	3.9
464.73004	1.1
517.13562	13.7
518.14056	1.8
691.18774	33.7
692.19171	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01868	1.2
69.37817	5.1
71.01393	1.1
83.04997	1.0
85.02958	8.0
87.00871	2.3
93.03458	5.9
96.39865	0.7
106.88978	0.7
109.02937	1.0
111.04528	2.5
119.05035	29.4
120.05364	1.5
127.04004	2.2
131.89989	0.7
135.04526	3.1
142.46590	1.0
155.03488	1.9
161.02467	2.3
163.04018	47.8
164.04361	3.1
173.04564	5.7
179.03506	2.1
183.90132	0.9
191.05617	100.0
192.05902	4.2
255.10277	2.2
337.09320	25.1
338.09683	1.8
343.08194	2.3
353.08774	6.1
517.13629	2.5
533.97760	0.9
691.18823	8.0
692.19128	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32572	0.4
58.35005	0.4
59.01381	0.7
66.31202	0.4
66.62157	0.4
67.01886	1.0
71.01384	1.3
85.02948	6.7
86.67731	0.4
87.00878	2.5
93.03458	8.0
96.22309	0.4
108.02171	1.1
109.02966	3.4
111.04513	1.8
115.00351	1.3
119.05032	2.8
122.03725	0.6
127.04020	1.7
133.02972	1.1
135.04546	5.6
145.02914	1.1
155.03519	1.2
161.02451	2.7
163.04018	4.5
170.87959	0.4
171.02966	0.7
173.04573	6.8
179.03506	4.7
191.05621	100.0
192.05956	3.8
205.52388	0.5
226.06375	1.4
227.07138	2.3
239.07106	0.8
253.08704	1.0
255.10245	11.1
256.10602	1.2
281.08170	0.9
307.06274	0.5
337.09320	4.1
343.08203	6.6
344.08505	0.9
353.08820	5.9
457.57495	0.5
499.12393	1.8
517.13464	5.0
518.13843	1.2
691.06726	1.1
691.18823	21.4
692.19214	5.7
703.79321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97229	0.6
55.85827	0.6
57.03433	0.9
59.01374	2.1
67.01904	1.2
67.05370	0.6
67.12845	0.7
68.42992	0.6
69.18088	2.0
69.18508	3.6
71.01385	3.2
71.15026	0.7
81.03449	0.9
83.05004	0.7
85.02950	17.2
87.00884	2.1
93.03455	11.0
108.02177	3.5
109.02973	7.1
111.00890	0.9
111.04539	2.7
115.00392	2.7
119.05042	6.1
122.03762	1.9
123.04530	1.1
125.02474	1.3
127.04023	1.6
129.01892	0.9
135.04547	13.0
137.02437	2.6
145.02957	2.1
145.06621	0.9
147.02991	3.5
155.03513	2.3
161.02477	0.7
163.03986	7.0
164.04433	0.7
173.04550	23.7
174.04933	1.5
177.01787	0.7
179.03488	10.9
187.94179	0.7
191.05615	100.0
192.05978	4.0
226.06369	5.6
227.07127	8.6
228.07434	0.9
237.81728	0.7
253.08699	1.0
255.10255	29.5
256.10538	3.5
272.21375	0.7
281.08099	0.9
289.07175	1.6
293.06689	1.4
293.64670	0.8
299.09131	0.9
337.05688	1.6
337.09354	3.5
343.08228	25.6
344.08600	2.9
353.08844	10.1
354.08972	1.0
473.14182	0.8
517.13489	11.6
518.13873	2.5
691.18738	8.2
692.18793	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37169	0.4
59.01374	1.4
60.99286	0.5
67.01882	1.7
69.03444	0.8
70.71677	1.2
71.01366	2.2
73.02956	0.6
76.75397	0.5
81.03447	0.5
83.05036	0.9
85.02955	10.2
87.00864	3.4
93.03466	11.8
108.02207	1.1
108.39365	0.4
109.02975	3.9
111.04521	3.4
114.64694	0.5
115.00371	2.1
119.05045	2.5
121.14839	0.5
127.04031	2.5
130.71579	0.4
135.04541	9.5
137.02455	0.6
155.03516	1.1
161.02449	1.9
163.04010	4.4
173.04570	9.2
174.05013	0.5
179.03523	6.0
191.05627	100.0
192.05991	4.3
226.06441	1.5
227.07149	4.5
228.07588	0.5
239.07249	0.8
255.10272	10.1
256.10605	1.4
281.08109	1.2
289.05499	0.8
307.06567	0.8
337.09338	2.5
343.08203	6.2
344.08453	0.6
353.08783	5.3
354.09067	0.8
392.62775	0.6
463.10703	1.1
464.86319	0.5
499.12939	0.8
517.13519	9.5
518.14026	1.6
691.18823	24.4
692.18964	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48489	15.7
62.82189	17.0
64.22039	15.1
68.33573	16.9
69.02325	100.0
98.22534	38.6
468.72308	15.3
471.13773	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.60822	48.9
60.15511	42.4
63.62190	46.7
84.08331	49.2
92.50684	50.3
98.22578	100.0
112.29355	48.2
124.32452	51.5
127.89791	46.0
188.06902	50.5
188.08925	52.2
239.52065	55.1
271.23373	52.7
306.61731	51.7
593.82117	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17171	14.5
59.01381	100.0
61.98834	94.3
70.53838	29.0
83.66885	14.3
89.75347	12.6
94.91620	16.0
99.04524	52.8
102.25198	12.8
290.36957	14.8
381.96722	17.4
396.43387	14.5
691.25214	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92195	0.6
59.01389	4.9
61.98844	1.0
63.93821	0.4
65.99849	0.5
71.01382	1.8
79.95770	0.6
81.03440	0.4
81.92744	0.6
82.77931	0.5
83.05018	0.9
85.02971	0.9
89.02448	1.9
94.02998	2.0
96.96016	24.1
96.96959	1.0
99.04498	0.5
101.02449	0.9
108.04561	2.6
109.02926	0.9
113.02431	0.6
116.92816	0.8
120.04546	1.1
122.06131	9.6
123.04528	0.6
123.06423	0.4
124.04050	1.2
125.02461	1.1
132.04561	0.7
134.06137	1.4
135.06917	0.5
136.04070	4.4
136.05115	0.7
136.07683	10.0
138.05623	2.1
148.04063	0.6
150.05615	9.4
151.00398	0.7
151.04033	0.5
152.07210	3.2
159.11792	0.5
161.04579	0.8
163.08809	0.4
172.07661	0.5
175.05170	0.5
182.12447	0.5
186.09276	3.1
187.09758	0.5
188.10686	0.6
190.05072	1.1
196.91327	0.5
201.06567	2.5
202.07420	1.7
202.08891	1.3
202.12413	1.8
212.10898	1.1
213.06566	0.6
214.07446	0.9
215.08231	2.6
216.08937	0.9
228.10330	2.7
229.09818	13.9
230.12100	8.3
231.11769	0.8
240.08974	1.0
244.08478	1.1
245.09277	4.6
245.13002	1.1
255.11375	4.2
257.09302	7.1
258.09991	1.3
259.10892	0.6
273.09448	0.9
273.12457	19.1
274.12692	1.5
275.10425	1.7
285.04016	0.9
289.07245	1.3
293.09317	0.6
300.02911	0.8
317.11426	15.4
318.11819	1.3
334.11838	1.1
335.12497	100.0
336.12802	9.3
355.12961	2.3
529.39471	0.4
593.15253	0.7
647.36804	0.7
691.18329	0.5
691.38922	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	42.9
63.31879	5.0
71.01415	5.4
71.32018	8.4
78.95919	12.3
83.05008	5.8
87.00854	5.2
105.68223	5.0
121.54502	5.3
123.26576	5.2
125.91754	4.9
130.50781	4.6
154.85957	4.5
160.84283	5.5
162.83960	6.2
178.61203	5.2
209.11852	100.0
210.12175	11.5
211.13367	9.2
227.12958	13.4
253.09338	7.8
326.14545	6.3
631.32184	5.6
691.31793	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	27.0
61.98835	100.0
71.01382	64.1
71.31641	8.7
73.02984	9.5
87.00897	8.0
89.02451	14.2
101.02497	10.9
102.00573	8.7
109.06625	11.8
123.04539	7.9
125.02442	11.4
153.10352	7.7
169.12357	12.9
171.10208	46.1
183.13991	15.5
197.11908	15.9
201.11459	17.1
207.10286	36.7
209.11826	46.8
211.13429	84.3
225.11359	16.5
227.12825	11.9
253.09262	14.7
289.97723	9.5
293.21262	43.4
383.22174	14.5
401.23416	22.8
415.19733	9.0
419.24496	13.3
637.32001	67.3
655.33179	26.6
691.32336	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21412	3.8
59.01381	43.2
60.01714	4.7
60.19948	3.7
61.62469	3.7
61.98834	50.9
71.01382	21.8
76.52692	3.5
78.95928	8.8
83.05011	6.7
87.00854	4.2
88.17483	4.1
89.02467	9.9
98.21733	8.7
99.04530	41.4
100.04854	10.8
101.02453	8.8
111.08096	4.1
113.02475	5.6
116.04124	3.8
116.92857	21.5
125.02458	4.8
137.06113	24.1
152.99554	5.5
163.04004	5.4
165.05598	51.1
171.10286	11.3
179.05629	4.9
183.13890	4.7
191.05634	12.3
191.10788	4.3
209.11853	100.0
210.12216	7.7
211.13403	7.4
227.12886	15.4
235.08121	4.5
253.09297	9.8
275.20331	5.6
293.21262	38.6
294.21603	5.8
318.47223	3.9
397.13528	16.3
415.14603	14.6
420.04309	4.1
435.27527	84.8
436.27890	12.5
445.20782	7.8
493.35446	16.0
504.23212	5.8
505.23645	10.5
522.24091	7.7
523.24469	18.3
597.32953	22.6
598.32867	5.0
640.22742	4.6
691.31488	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53872	0.7
57.03440	1.5
59.01374	5.9
61.62793	0.6
61.98832	6.0
64.85554	0.7
71.01388	7.5
71.39982	0.6
73.02937	1.3
74.52428	0.6
80.02708	1.0
81.03454	2.0
82.72723	0.8
83.05038	4.8
84.02164	1.2
85.02964	2.6
85.58280	0.6
87.00875	1.4
89.02438	3.3
95.01331	0.8
95.05045	1.7
97.06585	4.0
98.21720	1.5
101.02450	4.8
109.06577	1.0
113.02445	2.8
116.92827	0.6
119.03484	0.7
121.02890	0.6
125.02402	0.7
145.04991	1.1
151.11288	15.7
152.11710	1.2
161.04575	1.7
163.11246	4.3
165.12869	1.2
169.12346	68.1
170.12743	4.4
171.10278	1.9
191.10860	1.0
195.10237	3.4
207.10287	0.8
209.11841	61.6
210.12149	5.2
211.13522	1.2
213.11351	10.6
227.12964	4.8
235.08232	2.0
253.09329	5.1
287.14957	0.9
291.60422	0.8
365.38336	0.7
401.23181	0.7
431.19489	2.8
449.20358	7.1
605.04803	0.8
637.32111	1.3
641.31665	1.9
651.67090	0.8
656.15149	0.8
659.32855	100.0
660.33209	24.2
691.35107	7.6
692.35895	2.1
720.54987	0.8
722.33868	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.0
61.98861	0.8
69.00955	6.5
71.01381	2.2
74.31522	0.6
80.02679	1.4
81.03460	1.4
83.05031	4.8
85.02968	0.9
89.02465	1.7
98.17399	0.6
101.02457	2.0
113.02437	1.4
125.02431	0.6
127.11240	0.8
150.07288	0.6
157.01422	0.6
158.79573	0.6
161.04567	1.2
163.11266	3.4
165.12831	1.9
171.10307	1.0
181.12379	0.9
190.44693	0.6
201.11333	21.2
202.11679	0.9
209.11842	100.0
210.12184	8.7
227.12900	12.9
235.08299	2.5
253.09335	8.3
399.99243	0.7
437.20328	1.5
445.21149	1.4
457.76529	0.6
463.21866	0.6
580.69287	0.7
584.16376	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07241	1.2
59.01099	2.1
59.01385	36.4
61.98836	26.3
63.34349	1.1
68.80414	1.2
69.00904	5.1
69.01324	7.0
71.01381	19.5
72.99329	1.6
73.02942	2.4
78.95914	2.6
83.01380	1.9
85.02966	4.1
87.00868	3.0
89.02460	13.6
96.96024	1.6
97.02950	2.1
99.00907	1.5
99.04530	2.8
101.02422	10.6
109.53169	1.3
113.02452	4.3
116.55956	1.1
119.03502	4.4
119.05006	1.5
121.02966	1.6
125.02457	4.9
161.04596	2.9
171.10295	3.8
179.05605	3.4
191.05609	5.2
191.10806	2.5
195.13933	6.3
197.11842	2.9
209.11844	20.8
210.12170	2.0
211.13498	2.4
223.13390	5.8
227.12910	2.9
235.08252	4.4
275.20135	2.7
293.21249	100.0
294.21545	10.3
298.03857	1.4
333.55182	1.3
341.10361	1.7
371.15274	2.9
397.13535	25.0
398.13757	1.6
403.17526	3.2
415.14612	22.3
416.14932	2.5
445.20700	3.4
493.35471	3.5
512.23169	1.4
659.34766	1.4
691.31006	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73077	7.4
57.73752	7.7
64.70477	9.2
78.95915	50.0
96.96976	10.4
113.17023	8.8
152.99580	77.4
207.80235	8.2
209.11838	100.0
227.12892	19.0
253.21767	16.7
270.22174	9.8
445.55951	8.5
449.51913	8.8
455.16895	95.0
470.86139	10.0
481.69199	9.5
684.18689	9.0
691.37543	59.5
692.37872	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
62.96416	0.9
70.64024	2.0
71.01389	1.1
72.93168	0.8
74.16064	0.9
78.95909	38.8
80.02695	2.1
81.03447	1.3
83.05031	6.7
84.02174	1.2
89.02488	1.7
92.06949	0.9
95.05013	1.6
96.96970	3.1
112.76454	0.8
125.05995	1.1
143.49908	0.8
152.99593	59.1
153.99983	1.3
163.11337	6.1
164.11632	1.1
165.12886	3.1
171.00662	6.0
179.81755	0.8
181.12370	1.0
209.11836	88.5
209.90248	0.8
210.12202	4.4
227.03268	3.5
227.12886	11.6
245.04355	2.1
253.21707	20.3
254.22073	1.4
363.12051	9.7
364.12521	0.9
383.88815	0.8
437.15845	6.5
438.16196	0.8
455.16885	100.0
456.17154	9.7
509.66922	0.9
511.34009	1.8
517.93994	0.9
518.33105	0.8
545.53717	0.9
566.60577	0.8
626.81903	0.8
670.92950	1.0
691.38275	58.8
692.38550	12.7
715.53357	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89781	6.4
69.17725	49.0
69.18141	11.2
78.95502	7.4
78.95911	49.8
98.32919	7.1
120.50520	7.0
125.06119	8.0
152.99612	60.8
202.99829	7.1
209.11871	70.1
227.12955	17.2
253.21716	22.7
263.67960	7.3
283.56985	7.3
343.85172	7.0
363.12405	11.2
367.48245	8.6
455.16827	100.0
691.38214	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	21.3
60.01707	0.4
62.70316	0.2
66.23533	0.3
71.01405	1.2
73.36660	0.2
77.85873	0.2
78.95913	0.7
85.02963	0.7
89.02437	0.8
95.01398	0.3
96.67130	0.2
97.32600	0.2
101.02470	1.1
113.02451	1.4
119.03487	0.7
152.99631	0.4
161.04561	0.7
167.78445	0.2
192.91646	0.2
197.03259	0.2
221.06729	0.3
306.53699	0.2
469.33252	100.0
470.33569	17.8
483.34866	1.2
493.33453	0.2
511.34497	1.1
628.15887	0.3
631.38702	0.7
632.38892	0.3
691.40247	0.3
694.20422	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22654	0.3
53.74709	0.3
54.37999	0.3
58.04622	0.3
59.01383	29.8
61.98832	7.4
71.01387	2.0
75.44952	0.3
85.02934	0.9
89.02439	1.0
90.69311	0.3
95.01373	0.4
101.02449	2.1
113.02468	2.6
119.03508	1.3
120.36758	0.2
144.16623	0.3
152.00832	0.3
161.04567	1.0
191.63910	0.3
222.78944	0.3
229.37778	0.4
425.34311	4.6
426.34634	0.7
451.32169	0.8
469.33240	100.0
470.33563	16.0
483.34921	1.3
511.34387	1.4
644.53613	0.3
691.40204	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
71.30813	3.1
78.95922	3.4
99.04535	6.2
121.02960	1.9
126.19799	1.5
127.07683	5.2
189.09300	1.9
257.74875	1.8
290.75903	1.9
295.13504	2.3
307.88864	1.9
337.10855	2.6
467.20642	4.2
486.93069	2.1
511.19522	3.5
529.20959	2.9
565.19159	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75278	0.2
59.01389	0.7
61.98836	100.0
69.13540	1.1
69.13960	0.7
93.53596	0.2
98.22543	0.4
103.76178	0.2
121.02958	0.3
131.32140	0.2
169.28108	0.2
230.24448	0.2
246.94116	0.2
469.32861	0.2
470.33643	0.5
693.20337	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06849	0.3
56.85809	0.3
59.01387	1.4
61.98835	100.0
62.34426	0.3
70.10716	0.9
78.95917	0.3
82.59776	0.3
89.18819	0.3
90.78564	0.3
118.96614	0.3
127.11821	0.3
195.10286	0.4
221.88876	0.3
277.21793	0.8
445.57513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1685
Annotation	Quercetin 3-(3'',4''-diacetylrhamnosyl)-(1->6)-glucoside
Peak:m/z	Relative Intensity
59.01379	0.4
63.02406	0.9
65.00320	1.9
71.24553	0.5
71.76233	0.4
83.01390	1.3
90.62671	0.4
91.01921	0.6
96.96018	1.2
99.92569	0.9
107.01390	3.6
108.02187	1.9
109.02946	1.8
116.92879	8.6
117.92890	0.4
119.01401	0.5
121.02964	2.2
124.01580	0.5
125.02434	0.7
127.99152	0.4
133.02942	0.4
135.00879	1.1
139.04045	0.5
148.01683	1.9
151.00383	12.7
161.02426	0.4
163.00412	2.9
164.01204	0.7
169.01425	0.9
175.04005	0.4
178.99889	6.5
187.03947	0.5
192.00722	0.7
199.04051	1.3
201.01996	0.5
201.05609	0.7
203.03552	0.5
203.70903	0.5
211.04015	1.0
213.73523	0.4
215.03453	1.0
216.04285	0.8
226.02739	2.7
227.03491	4.2
228.03966	0.5
229.05077	1.0
243.02980	13.3
244.03435	1.1
245.04547	1.2
254.02243	2.4
255.03003	31.9
256.03415	2.4
271.02493	67.4
272.02908	6.9
273.04022	1.0
283.02560	1.6
299.02057	1.6
300.02768	100.0
301.03488	38.1
302.03949	2.8
343.04498	0.8
463.08923	1.0
495.15979	0.5
609.14740	1.3
651.05115	0.4
651.15588	21.8
652.16400	3.9
693.16742	41.5
694.17151	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19806	0.4
54.34460	0.4
59.01384	11.4
67.01881	1.0
69.03452	0.6
71.01376	1.8
73.02936	0.7
81.03470	0.9
82.95423	1.6
83.05032	1.3
83.77545	0.5
83.92400	0.5
85.02959	9.0
87.00890	1.7
93.02888	0.9
93.03474	17.2
94.03805	0.6
96.95992	0.8
98.22551	1.1
109.02958	1.3
111.00915	3.0
111.04554	3.5
117.03539	0.6
119.05051	1.9
127.04015	2.9
137.02458	1.4
145.06566	0.7
149.06075	0.9
155.03537	3.3
156.05772	0.6
169.06575	1.1
171.08202	0.9
173.04565	22.8
174.04868	0.6
182.07365	1.6
183.08073	0.6
185.06085	0.5
191.05627	100.0
192.05931	4.4
195.08163	6.4
196.08720	1.0
197.09723	14.5
198.10144	1.4
211.11255	1.6
213.12877	2.4
220.92578	0.5
223.07610	1.7
227.10756	0.9
229.08778	0.6
239.10774	6.6
241.08759	3.6
241.10890	0.7
245.11781	0.7
257.09470	0.5
257.11838	2.7
283.09753	13.6
284.10114	1.2
285.07510	0.5
300.02890	0.7
301.10831	9.1
302.11203	0.8
327.08737	2.0
339.08551	0.6
343.28421	0.6
345.09778	3.6
347.17462	0.7
372.21283	0.5
418.20398	0.5
427.96811	0.5
457.15225	0.5
475.16229	1.9
501.14059	15.8
502.14450	2.6
519.15137	16.4
520.15552	2.9
522.15344	0.6
609.14618	1.1
637.11090	0.7
693.20374	15.2
694.20990	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36441	0.2
56.00340	0.2
59.01387	1.3
61.98818	0.2
65.03961	0.7
69.03442	0.6
69.04926	1.0
69.05346	0.7
71.01351	0.2
71.67005	0.2
93.03465	58.9
94.03790	1.6
95.05007	0.2
97.02956	1.1
99.40842	0.2
109.05889	0.2
114.43020	0.2
137.02457	100.0
138.02782	3.1
150.29707	0.2
152.99661	0.3
157.53702	0.2
158.03763	0.4
202.92986	0.2
216.20241	0.2
249.14909	0.2
275.14886	0.2
295.13467	0.4
302.74591	0.2
328.48569	0.2
335.16907	0.2
353.17789	0.4
393.64948	0.2
423.32614	0.3
440.86136	0.2
441.33771	0.4
485.32751	14.2
486.33087	2.1
487.33557	0.9
488.33707	0.4
531.22528	0.4
647.38318	0.3
651.24170	1.3
666.69781	0.3
693.25299	0.6
693.36340	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68471	36.0
61.98845	52.0
74.24865	40.1
78.95922	71.8
87.73058	35.4
93.03501	98.3
98.76050	39.6
126.65105	47.5
137.02444	100.0
140.31017	41.1
203.25887	36.0
257.86325	37.0
287.58951	38.8
407.15643	40.9
454.32159	44.4
693.26935	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	22.5
61.98834	26.5
70.35577	9.5
70.35906	9.0
71.53621	5.2
73.09978	4.6
78.97425	4.6
90.44503	5.1
96.46577	5.2
152.99619	5.1
165.35936	4.9
166.59013	5.6
177.05739	5.4
209.11827	82.0
211.13400	100.0
212.13812	7.2
227.12872	17.9
253.09294	13.1
274.89117	5.2
282.28406	5.1
445.20938	9.2
447.22372	17.6
474.11136	5.3
639.33276	7.2
693.32587	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38197	1.5
52.07260	1.6
58.70210	1.6
60.99825	1.8
61.98812	1.9
62.25533	1.6
78.95909	40.8
83.05022	4.2
96.96969	5.0
152.82639	1.8
152.99599	41.3
163.11340	5.1
171.00659	5.0
179.02299	1.7
189.39000	1.8
209.11859	54.7
210.12260	5.0
211.13458	2.6
217.00957	2.0
227.12918	11.2
255.23314	95.1
256.23730	9.0
363.11996	9.7
437.15918	7.8
455.17004	2.5
456.17068	2.8
457.18188	6.5
520.67847	1.7
693.39764	100.0
694.40247	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11243	1.4
57.73568	1.5
59.01376	4.9
61.98834	28.6
69.03458	1.6
69.05663	14.6
71.01387	3.9
71.04996	1.3
78.95912	16.6
89.02438	2.5
97.02943	2.4
98.22047	6.8
99.92587	3.0
101.02499	1.6
113.02455	3.5
116.92868	17.0
137.02519	1.8
137.06122	4.7
150.06885	20.2
152.99623	5.5
161.02504	1.7
163.07649	1.5
163.11223	1.6
164.08463	3.9
165.05580	6.2
169.12386	3.8
171.10339	2.0
179.10793	21.0
185.74995	1.5
191.05598	3.9
209.11894	10.4
211.13383	4.6
212.10690	1.5
227.12741	2.7
232.72589	1.4
241.38664	1.4
247.09552	3.5
293.20981	1.6
329.23239	1.7
451.34293	3.9
465.22430	3.5
480.34244	2.4
494.36188	4.4
495.37125	100.0
496.37454	16.9
506.92163	1.7
513.24396	1.7
531.25098	3.2
589.91614	1.7
636.01807	1.7
657.42413	23.9
658.42358	5.2
661.33234	8.0
693.38684	14.1
694.38397	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
62.10220	11.8
71.31841	17.4
91.97409	11.5
111.15375	11.3
119.74796	12.7
121.95739	12.1
139.94156	13.5
152.99586	14.6
169.68890	13.8
205.15924	20.7
216.48479	12.0
222.47614	13.7
255.23314	25.9
426.15070	100.0
694.27130	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28673	0.2
56.40555	0.2
61.12150	0.2
61.98834	100.0
68.60840	0.3
69.65345	1.0
75.00877	0.4
78.95933	0.4
134.89476	0.2
146.71077	0.2
162.89381	0.4
257.57474	0.3
471.34241	0.3
589.52362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.381
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
71.30508	1.3
98.73136	1.0
100.65003	1.1
198.92751	1.2
389.58249	1.4
425.34149	8.9
426.34448	1.1
445.90543	1.2
469.33234	32.2
470.33777	6.4
631.38269	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69656	0.5
57.18478	0.4
61.98836	100.0
70.53085	0.4
75.21331	0.4
78.22117	0.4
78.95937	0.7
86.72167	0.4
98.22631	0.9
107.10803	0.4
152.99631	0.4
164.57564	0.4
221.55098	0.5
241.55486	0.5
267.59662	0.5
279.23599	0.6
347.93228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74374	0.7
61.98836	100.0
69.41952	4.3
78.95913	1.1
98.21868	1.2
105.72989	0.8
152.99574	0.9
191.05603	1.0
236.89073	0.8
244.41652	0.9
279.23340	1.8
314.21530	0.8
321.49698	0.7
393.63754	0.8
424.04959	0.8
435.19434	0.8
451.32376	1.0
469.33240	19.7
470.33670	3.7
631.38513	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31858	5.5
78.95908	17.1
83.05009	5.2
84.68444	3.5
86.56868	3.7
94.24347	3.9
140.01242	8.0
151.54083	5.6
163.11348	6.4
166.90167	4.4
173.21510	4.6
173.46405	4.8
198.76036	4.1
199.13403	11.9
209.11838	100.0
210.12189	7.6
225.70407	4.6
227.12901	28.3
255.23296	62.1
256.23468	5.9
274.53427	4.5
277.21674	8.6
278.12515	4.2
344.23807	4.4
350.09854	4.1
452.27704	5.6
520.77979	4.5
662.40253	18.1
663.41156	4.7
694.42810	39.7
695.42877	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14711	0.5
59.01387	1.5
70.66297	1.0
71.01368	1.3
72.22813	0.5
76.50310	0.7
85.02959	7.1
87.00894	0.9
93.03467	2.0
105.58981	0.6
109.02984	1.3
111.04536	1.4
119.04998	0.8
125.02465	0.6
127.04018	1.6
133.02989	0.7
134.03781	0.6
135.04529	8.9
161.02454	3.5
163.04007	1.4
173.04575	1.8
177.01935	0.7
179.03513	10.5
180.03796	0.6
191.05624	100.0
192.05960	5.2
193.06053	1.9
194.06477	0.5
195.05081	0.8
341.08685	5.9
353.08844	10.4
354.09033	1.5
452.31879	0.6
695.18915	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65448	1.7
69.65839	1.3
75.81581	0.8
91.24816	0.7
93.67184	0.7
107.01394	1.1
114.63158	0.6
116.92838	0.6
125.02487	1.4
135.62459	0.7
136.11398	0.7
151.00432	4.5
161.02487	0.7
188.01027	0.7
201.02019	1.0
202.02753	2.7
203.03555	1.1
213.01932	1.9
214.02774	1.9
215.03517	2.0
216.28479	0.8
225.02245	0.9
230.02214	8.7
231.02840	1.9
241.01425	8.7
242.02220	23.5
243.02899	5.9
245.01018	1.0
257.00812	3.6
258.01697	20.6
259.02307	4.2
269.00903	3.5
270.01703	13.2
271.02460	7.0
272.03311	4.3
273.04053	21.4
274.01212	3.2
274.04517	2.8
283.16330	0.7
285.04126	1.9
286.01230	18.2
286.04407	1.2
287.01944	7.9
287.05655	5.3
288.06015	1.1
298.01120	2.8
299.01968	3.1
300.03033	0.9
301.03564	21.7
302.04114	2.6
314.00653	2.1
315.01550	13.5
315.05203	2.1
316.02264	1.4
316.05954	5.1
317.06516	1.0
329.03049	68.4
330.03693	20.8
331.04303	2.2
343.04736	1.7
344.05392	56.1
345.06122	53.9
346.06537	5.6
387.07162	1.9
417.10959	0.9
418.95416	0.8
449.44608	0.7
527.00427	0.8
635.16132	1.8
653.16840	3.8
654.17029	1.2
695.18311	100.0
696.18567	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1832
Annotation	Haploside C
Peak:m/z	Relative Intensity
56.45546	1.4
65.59734	1.6
67.71955	1.3
80.93070	1.4
96.96023	1.3
116.92879	3.0
125.02436	2.5
151.00352	5.7
151.04051	1.5
158.66864	1.4
187.04073	1.8
203.03644	1.5
213.01926	2.2
214.02791	2.8
215.03583	1.9
230.02209	9.4
231.02953	2.6
241.01512	6.1
242.02180	13.6
243.03009	7.4
258.01715	16.2
259.02460	7.0
269.00827	1.8
270.01639	11.9
271.02469	6.5
272.03357	2.3
273.03995	12.6
274.01263	4.1
274.04495	2.4
285.04092	2.9
286.01215	17.7
287.01987	12.0
287.05038	2.0
289.07565	1.8
298.01263	4.6
299.01907	2.7
301.03537	19.6
302.04150	2.6
314.00845	1.8
315.01538	28.4
316.02191	2.2
316.05933	4.1
317.06631	2.6
329.03027	85.0
330.03741	37.5
331.04218	4.6
344.05396	51.4
345.06149	77.9
345.10507	2.3
346.06549	7.3
368.99890	1.6
551.92871	2.1
603.03644	1.5
684.10468	1.7
695.18353	100.0
696.18622	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51640	3.6
59.01387	27.6
61.98835	14.8
69.61050	3.7
71.01373	24.7
73.02930	3.8
78.95910	14.2
83.01361	3.8
85.02986	4.9
87.00890	5.2
88.69376	3.3
89.02465	24.0
97.02965	4.7
101.02460	19.3
113.02484	7.8
116.92870	4.4
119.03541	10.6
125.02433	9.2
133.05119	4.4
143.03516	6.1
152.99603	8.0
161.13528	3.5
176.05745	3.6
235.08224	12.4
246.53374	4.3
255.23274	82.0
256.23593	11.1
265.14685	4.2
279.23450	7.5
295.96307	4.1
311.73193	4.3
397.13531	100.0
398.14011	8.7
415.14594	32.3
437.58997	3.8
595.28979	10.3
621.30750	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12520	3.6
59.01382	30.5
61.98856	5.1
71.01389	34.6
73.02923	3.2
85.02944	5.7
85.91791	3.7
87.00902	4.6
89.02454	23.9
97.02959	5.7
98.22543	10.6
101.02456	25.8
110.04406	3.6
113.02451	11.8
119.03531	6.0
121.03044	5.0
125.02444	6.8
131.03432	4.3
152.99548	4.9
161.04581	3.8
179.05563	5.4
201.11366	5.2
235.08315	9.4
255.23318	86.0
256.23627	8.1
287.07776	4.7
287.92154	3.9
297.68991	4.1
305.08630	5.0
397.13562	100.0
398.13953	8.9
415.14557	26.2
425.86081	4.5
498.84442	4.1
653.37262	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51002	0.3
59.01376	0.5
61.98836	100.0
63.50724	0.3
73.74878	0.3
85.00446	0.3
105.72552	0.3
113.31631	0.3
135.64990	0.3
142.28595	0.4
142.62436	0.4
171.10295	0.6
209.11882	0.8
210.64053	0.3
251.16684	0.3
499.19849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32119	1.4
57.03439	3.2
57.38866	1.4
59.01386	4.2
63.64032	1.3
67.01899	1.5
69.03532	13.0
71.01383	6.7
81.03472	2.3
83.05016	2.1
85.02964	7.1
85.10507	1.5
87.00886	3.4
88.67889	1.3
89.02437	2.7
93.03481	17.2
96.95999	2.8
98.22607	2.9
101.02464	1.5
101.47659	1.6
109.02950	6.3
111.04564	8.2
111.37164	1.3
113.02455	1.7
117.03481	4.3
119.05038	85.9
120.05372	5.5
121.02954	3.9
123.04560	4.5
125.02471	5.7
127.04037	2.4
131.07123	5.4
133.02975	1.9
134.03783	2.1
135.04504	2.9
136.98499	2.4
137.02454	5.6
142.54198	1.4
145.02969	16.4
151.03970	2.4
155.03470	6.5
161.06152	1.8
163.04022	74.6
164.04384	4.3
165.01950	1.6
173.04570	26.1
179.03514	4.3
185.02211	46.8
186.02562	2.2
191.05623	38.9
192.05959	2.5
193.06224	1.5
203.03358	2.3
203.07130	2.1
205.05038	2.0
223.07635	12.1
224.08325	1.9
245.08211	2.1
289.07260	14.2
290.07553	3.7
293.12430	13.0
305.07993	4.0
337.09360	1.7
343.70795	1.5
349.06973	6.1
353.08676	3.0
359.07507	40.4
360.07822	5.1
491.28503	1.5
523.04480	2.9
523.12268	54.6
524.12640	10.1
697.17487	100.0
698.17743	21.5
714.27985	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71468	0.5
59.01358	1.3
62.90209	0.5
69.08748	4.6
71.01395	0.9
85.02950	0.9
101.02460	0.8
108.02184	1.0
109.02961	15.4
110.03254	0.5
113.02451	0.6
113.74249	0.5
115.77390	0.4
120.02221	0.6
121.02985	0.8
122.03716	0.5
123.00933	0.8
123.04560	2.8
124.01686	0.5
125.73681	0.5
133.03046	0.4
134.03766	3.1
135.04527	0.5
136.01662	7.5
137.02448	1.3
145.02986	1.2
146.03772	4.8
147.04471	0.6
148.01680	5.6
149.02489	2.3
149.06082	2.9
150.03235	3.7
151.04022	12.7
152.04356	0.5
153.05573	6.1
154.06021	0.5
161.02444	3.0
161.04753	0.5
161.06094	1.9
162.03249	1.6
162.89525	0.4
163.04027	15.5
164.01154	5.3
164.04831	4.7
165.01958	4.4
165.05571	2.2
166.02727	11.5
167.03583	2.5
177.01982	2.0
177.05545	1.0
178.02718	4.0
179.03354	1.2
179.07150	10.3
181.05078	48.7
182.05388	2.0
189.83488	0.4
191.03593	0.6
191.05499	0.6
192.04276	1.8
193.05075	14.8
194.02298	0.5
194.05455	0.8
207.06644	2.9
209.40515	0.5
211.06128	14.2
211.30397	0.5
212.06406	0.8
219.01320	0.5
219.06705	0.5
254.05890	5.3
255.06525	2.5
268.07428	1.2
269.08191	15.5
270.08798	4.5
271.55328	0.5
281.08191	0.7
283.09827	1.9
284.10623	3.2
285.11371	2.3
297.07727	0.5
298.08463	2.6
299.09286	0.7
299.12915	0.5
310.08493	1.5
310.18640	0.6
313.10803	8.8
314.11172	0.9
325.10690	1.0
328.09546	3.2
343.11871	37.7
344.12283	3.1
373.12943	100.0
374.13275	11.5
455.04047	0.5
485.74515	0.5
505.38782	0.5
523.90570	0.4
535.18262	2.0
556.68420	0.5
564.45129	0.4
653.37775	1.0
698.17108	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48294	0.6
56.43537	0.7
57.03444	1.0
58.00583	1.0
59.01096	1.0
59.01384	15.2
60.99305	0.7
61.98829	1.3
64.86375	0.6
65.36658	0.5
69.15084	1.4
69.15503	4.3
71.01385	9.6
72.99323	1.1
73.02953	1.6
74.56329	0.6
80.94164	0.5
83.01429	0.7
85.02951	3.4
87.00856	1.6
88.98799	3.7
89.02447	5.8
97.06624	0.6
98.22549	1.2
101.02458	4.7
113.02456	3.0
116.92874	4.0
119.03492	1.9
121.02948	1.0
123.04463	0.7
125.02460	2.1
125.09686	0.7
127.31636	0.7
128.69724	0.5
136.89461	0.6
137.02551	0.6
141.01758	0.7
145.08694	1.2
151.04030	1.0
152.03880	0.6
164.65338	0.6
165.01935	1.0
171.10269	2.8
171.11600	0.7
185.11870	0.9
187.09763	1.0
201.11331	1.6
215.12854	0.8
307.23157	0.8
325.23810	2.9
327.25406	0.7
337.23944	1.2
343.24933	4.4
352.25101	0.7
355.24969	12.1
356.25272	2.0
371.24310	0.9
373.26010	17.2
374.26254	1.7
475.29492	1.4
505.30295	1.3
517.30377	5.7
518.30640	0.9
535.31262	100.0
536.31604	18.3
536.37836	0.5
555.26556	1.0
697.25659	1.2
697.36804	8.9
698.36713	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	55.1
61.08173	7.6
71.90568	7.1
84.02046	6.5
98.22626	13.6
99.04526	100.0
111.73125	6.8
119.05046	10.0
478.54221	8.4
513.21063	18.6
654.22174	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	49.1
66.12517	12.0
73.58502	9.7
86.59961	12.4
88.09764	11.8
99.04527	100.0
161.41098	11.1
165.62204	10.4
177.85094	12.1
231.05179	10.5
274.75836	11.8
467.24313	12.1
513.21332	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	57.7
60.01739	0.6
61.98839	0.8
64.97070	0.7
97.02959	0.9
98.22549	1.6
99.04525	100.0
100.04873	2.4
109.02970	0.8
137.06123	4.0
146.59488	0.6
150.80673	0.7
157.73299	0.7
161.04364	0.8
162.83948	2.6
246.14311	0.7
389.21375	0.9
415.18948	1.2
433.20016	1.2
451.21338	1.1
477.19550	0.8
495.20300	3.2
513.21326	15.1
514.21576	2.4
531.22485	2.6
555.22467	1.1
561.28687	0.9
613.26001	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	29.1
68.99329	100.0
68.99740	23.4
75.08793	14.7
84.88972	15.7
88.82466	15.4
99.04555	27.3
108.52184	22.4
162.83900	40.8
164.83615	62.9
172.63229	14.6
230.57022	16.7
255.10452	16.4
291.66595	17.2
308.57819	17.2
396.07745	17.7
549.47168	17.4
706.79480	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.9
60.99313	5.6
69.21288	7.9
71.01389	2.4
88.98811	30.5
89.02441	0.9
92.65530	0.9
98.22594	1.6
103.59718	1.4
107.01401	1.2
108.02142	1.2
121.02914	0.8
151.00424	4.0
178.99863	3.0
185.20427	0.7
216.04364	1.2
226.02542	0.9
227.03398	1.0
238.15176	0.8
243.03018	9.0
245.23392	0.8
254.02043	1.4
255.02995	19.6
256.03415	0.8
271.02493	45.2
272.02957	3.6
273.04199	0.8
299.01981	1.8
300.02771	100.0
301.03247	12.8
416.04202	1.0
519.18994	2.3
520.16168	0.8
538.69769	1.0
609.14612	84.7
610.15027	18.3
654.37750	3.8
655.38037	2.4
661.46783	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.7
60.99310	1.5
69.47614	7.6
71.01419	1.4
88.98816	5.7
108.02185	2.6
109.02979	1.9
151.00337	8.9
163.00449	1.8
178.99892	4.4
191.05629	3.9
226.02789	1.7
227.03531	1.9
243.03020	5.6
254.02254	1.4
255.02965	17.6
256.03256	2.1
258.41608	1.4
271.02499	40.9
272.02975	4.7
300.02774	76.8
301.03464	33.8
302.03809	1.7
609.14624	100.0
610.14990	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	8.3
59.01376	18.3
61.98830	24.7
71.01363	7.5
71.30795	9.1
74.26400	6.9
75.82119	9.5
83.01402	12.8
89.02439	9.4
96.95996	8.6
99.04540	12.7
116.92820	8.9
117.24039	7.1
121.02979	18.0
125.02438	13.2
137.02469	13.0
147.08142	9.1
150.03247	9.5
151.04028	10.9
168.59142	7.5
195.06773	8.3
204.84019	6.8
207.35757	7.0
269.05035	7.6
289.06973	7.4
325.11053	11.8
369.09863	100.0
370.10089	13.5
501.21500	11.0
537.21405	18.2
699.16736	58.9
700.17749	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72111	0.6
59.01387	0.6
69.16778	5.9
71.01371	2.4
73.89613	0.6
81.03461	3.6
83.05032	6.9
85.02940	0.8
87.00896	5.7
88.98810	1.1
93.03463	15.2
108.02178	3.6
109.02969	8.6
111.04533	22.1
113.00529	0.7
115.00383	2.7
119.05005	0.8
122.03773	2.0
123.04540	0.8
127.04044	0.8
135.04539	1.8
137.02475	2.9
147.04521	1.3
155.02258	1.2
155.03519	22.3
156.03824	1.6
163.03984	1.5
173.04530	3.9
181.03104	0.7
191.05592	0.7
197.44298	0.5
198.04613	1.4
199.04199	17.0
215.94167	0.6
226.06351	4.6
227.07173	6.8
228.07486	1.0
250.75871	0.8
255.10283	18.4
256.10608	1.7
265.19089	0.8
269.04788	8.9
297.04333	1.5
301.76395	0.6
309.07980	2.2
311.05627	0.7
337.07474	2.4
343.08212	0.7
354.08929	1.4
355.08453	32.3
356.08691	3.3
356.71756	0.6
361.07230	0.9
366.42700	0.7
373.09424	1.6
390.73227	0.6
409.10587	0.7
433.20898	0.7
471.09827	1.0
488.37531	0.6
551.51184	0.7
626.95581	0.7
699.17419	100.0
700.17767	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86399	0.4
59.01383	100.0
59.73222	0.5
60.01730	1.1
61.98825	0.9
68.16932	0.4
69.10297	2.9
69.10701	0.9
86.52215	0.4
88.81208	0.4
89.08329	0.5
98.22501	0.8
111.60672	0.4
121.02970	18.8
122.03296	0.7
134.91754	0.5
145.77647	0.4
171.01273	0.5
330.17432	0.5
397.09296	0.7
463.54175	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
64.72134	3.7
66.71192	3.5
66.78281	3.2
69.04658	31.8
75.11882	3.4
75.60684	3.5
91.93252	3.1
96.93732	3.7
103.01508	67.6
152.84781	3.7
156.27609	3.4
171.10310	7.5
196.65791	3.5
200.23041	3.4
217.55402	4.7
261.47723	4.1
656.22290	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.0
59.01377	3.0
62.25317	1.0
69.03451	1.2
69.17424	7.2
71.01389	1.5
81.03460	3.0
83.01408	3.5
85.02969	2.0
87.00891	0.9
89.02460	1.4
93.03462	6.9
95.05043	3.6
97.02972	7.6
98.22540	2.0
101.02447	1.5
107.05054	1.3
108.02151	1.3
109.02968	30.4
111.04527	3.0
112.04011	0.9
114.65022	0.8
117.03451	1.1
119.05071	1.9
121.02996	4.8
122.03771	1.6
123.04543	18.3
124.04813	1.1
125.02474	18.2
126.52641	0.8
135.04565	3.3
137.02457	12.2
139.04022	3.2
145.02936	1.6
146.03740	1.1
147.04495	1.5
149.02426	3.9
150.03278	1.8
151.04044	9.9
155.03493	3.6
159.04524	2.8
160.05278	1.6
161.02493	2.2
161.04791	1.2
161.06036	5.1
162.03209	1.4
163.03989	2.9
164.01172	3.1
165.01942	5.7
167.03526	2.5
173.04628	1.6
173.06035	1.5
174.18115	1.1
175.03987	2.8
175.07649	2.0
179.03522	7.1
185.06084	0.9
187.04033	5.7
188.04739	4.2
191.05637	9.5
191.07185	1.3
199.04269	3.0
199.07640	1.4
199.68280	0.9
201.05746	1.0
202.06299	2.2
203.07158	14.0
204.07489	1.3
205.05096	7.9
212.04842	1.1
221.08186	4.0
223.06125	1.1
227.07179	2.5
230.05804	1.3
231.03105	1.0
245.08229	19.2
247.06158	0.9
289.07211	100.0
290.07565	11.9
293.12537	1.7
335.71436	1.0
355.08423	3.0
409.17108	1.7
447.14243	1.0
537.20514	1.3
560.83160	1.0
699.17108	10.5
700.17548	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.0
59.01377	3.0
62.25317	1.0
69.03451	1.2
69.17424	7.2
71.01389	1.5
81.03460	3.0
83.01408	3.5
85.02969	2.0
87.00891	0.9
89.02460	1.4
93.03462	6.9
95.05043	3.6
97.02972	7.6
98.22540	2.0
101.02447	1.5
107.05054	1.3
108.02151	1.3
109.02968	30.4
111.04527	3.0
112.04011	0.9
114.65022	0.8
117.03451	1.1
119.05071	1.9
121.02996	4.8
122.03771	1.6
123.04543	18.3
124.04813	1.1
125.02474	18.2
126.52641	0.8
135.04565	3.3
137.02457	12.2
139.04022	3.2
145.02936	1.6
146.03740	1.1
147.04495	1.5
149.02426	3.9
150.03278	1.8
151.04044	9.9
155.03493	3.6
159.04524	2.8
160.05278	1.6
161.02493	2.2
161.04791	1.2
161.06036	5.1
162.03209	1.4
163.03989	2.9
164.01172	3.1
165.01942	5.7
167.03526	2.5
173.04628	1.6
173.06035	1.5
174.18115	1.1
175.03987	2.8
175.07649	2.0
179.03522	7.1
185.06084	0.9
187.04033	5.7
188.04739	4.2
191.05637	9.5
191.07185	1.3
199.04269	3.0
199.07640	1.4
199.68280	0.9
201.05746	1.0
202.06299	2.2
203.07158	14.0
204.07489	1.3
205.05096	7.9
212.04842	1.1
221.08186	4.0
223.06125	1.1
227.07179	2.5
230.05804	1.3
231.03105	1.0
245.08229	19.2
247.06158	0.9
289.07211	100.0
290.07565	11.9
293.12537	1.7
335.71436	1.0
355.08423	3.0
409.17108	1.7
447.14243	1.0
537.20514	1.3
560.83160	1.0
699.17108	10.5
700.17548	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31567	0.7
70.54162	0.6
71.01375	1.0
71.27969	0.9
77.63443	0.6
108.02196	5.2
109.02968	3.5
121.02966	3.5
123.04557	3.4
124.01669	0.8
125.02422	1.8
129.77011	0.8
133.02898	0.8
135.04582	0.9
145.02899	0.8
253.05051	0.9
267.06647	1.1
287.07339	0.9
291.06677	1.7
293.08447	1.0
304.07394	0.7
305.08221	1.4
306.08755	1.6
307.09738	1.7
309.07690	0.7
317.08124	1.3
335.09195	2.5
337.10739	1.3
347.09146	0.9
348.09882	1.0
349.10858	1.6
350.11783	3.4
351.12311	1.7
366.11035	1.1
367.11874	1.1
379.12125	0.9
380.12622	3.2
401.10358	1.7
401.15790	0.9
427.12064	0.9
441.13330	1.8
443.14822	1.3
459.14252	3.6
461.16272	2.1
473.16083	4.1
489.15585	3.2
490.16144	1.1
492.18533	1.1
504.17944	8.9
505.18137	1.3
507.20294	14.1
508.20486	2.1
519.20276	100.0
520.20624	17.1
537.21375	2.7
538.22736	0.8
637.92926	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87099	2.4
58.00571	4.2
59.01089	6.0
59.01383	85.8
71.01391	59.6
71.02148	6.1
72.99313	6.9
75.38268	2.8
80.24963	3.0
85.02973	9.8
87.00911	3.4
88.98835	4.1
89.02451	95.4
91.08771	3.2
95.01414	4.2
96.96024	4.2
101.02445	27.7
108.02185	4.0
109.02917	3.6
113.02454	28.3
119.03527	31.4
123.04542	4.2
125.02435	6.7
128.13426	2.7
137.02469	4.2
143.03551	5.6
147.04544	7.1
150.03224	3.2
151.04027	4.3
158.03773	3.6
159.04568	4.3
160.05295	6.1
161.04623	5.8
161.06102	8.6
162.03239	4.8
163.04150	4.6
177.05571	4.6
179.05637	13.8
188.64139	2.9
217.54573	3.0
220.98053	3.1
238.06354	5.7
246.08551	3.1
249.05624	4.5
265.08649	3.4
266.05872	12.6
267.06677	19.4
281.08191	27.3
282.08990	5.7
296.06955	3.7
304.09836	2.9
314.08127	5.2
353.13852	3.9
429.13620	3.3
443.15378	3.3
444.16049	8.0
445.65945	2.7
459.18408	8.6
474.16214	4.4
489.19235	100.0
490.19705	21.0
519.20361	25.3
520.20740	4.6
669.25214	6.8
681.25287	22.4
682.26208	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.9
57.03442	3.3
58.00596	2.7
59.01387	65.3
61.98837	5.1
64.48261	1.8
70.75037	3.8
70.75420	3.9
71.01389	51.4
72.99326	4.3
73.02956	5.1
83.01405	3.3
85.02960	10.0
85.68356	1.9
87.00868	3.9
89.02454	52.6
89.94586	2.0
95.01399	2.7
99.04505	2.0
101.02449	22.7
103.93142	1.7
106.42496	2.0
108.02160	3.1
109.02966	4.8
111.00929	2.8
113.02474	20.5
119.03524	20.5
121.02967	7.0
123.04528	4.8
125.02454	6.1
135.04530	4.7
137.02502	4.3
143.03517	2.1
145.03017	2.4
147.04533	3.8
150.03206	2.1
150.06895	3.5
150.42973	2.0
151.04106	3.3
151.95508	1.7
158.03816	3.1
159.04524	3.9
161.04576	4.4
161.06000	2.7
162.06836	2.3
163.04007	3.3
173.06139	3.5
179.05638	5.7
206.25974	1.9
263.07053	2.1
266.05743	4.2
267.06647	8.4
281.08258	10.9
282.05502	2.5
282.08624	3.5
289.07028	1.9
292.07632	2.5
293.08136	4.2
295.09979	2.7
297.07748	5.2
305.08084	4.1
307.09717	3.2
308.10474	2.9
309.11163	3.5
321.11264	2.7
323.09424	4.4
337.10834	4.7
338.11636	8.5
353.13953	7.0
427.47784	2.5
444.15945	3.3
445.16318	3.5
459.18823	3.8
474.16608	3.8
475.17493	3.0
489.19296	100.0
490.19577	15.7
501.19250	8.7
504.17838	5.4
505.18341	2.4
519.20270	27.9
520.20575	2.2
669.25519	23.1
670.25580	2.7
681.25513	95.0
682.25610	19.4
699.37024	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	3.0
67.57609	1.3
68.95637	1.2
69.03226	9.4
72.46256	1.1
73.97031	1.1
77.25585	1.0
77.54043	1.3
82.95419	10.1
84.95125	32.5
85.00438	100.0
96.96013	2.1
98.22552	2.6
99.16858	1.3
137.96701	1.1
144.47997	1.3
146.87283	1.1
160.94011	1.3
650.96985	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73471	0.7
59.01384	1.4
61.98842	5.2
69.00643	8.2
70.10696	0.8
89.02502	1.0
94.42259	0.7
99.40749	0.8
101.02428	1.0
147.23242	0.8
152.38902	0.7
171.10268	6.0
197.02237	1.8
197.11844	1.4
209.11827	1.9
211.13397	1.8
225.11240	0.8
237.15015	0.9
253.09326	1.4
291.19647	1.3
309.20813	1.0
317.82318	0.8
421.31223	5.3
439.32156	9.1
483.31207	22.1
484.31607	4.1
501.32272	100.0
502.32629	19.1
699.35199	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10425	0.9
61.98824	1.4
63.04689	1.0
75.96286	1.1
98.22733	1.2
193.14529	1.0
258.61240	1.1
265.23468	1.0
496.13510	1.9
497.14374	2.1
510.15057	1.2
511.16177	3.0
512.17426	1.5
513.17688	1.4
544.15942	1.1
571.18207	5.4
572.18286	1.6
599.21735	1.8
630.19373	1.2
657.22168	12.6
658.22083	3.5
700.22681	100.0
701.22937	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98848	76.7
67.03625	13.9
69.17835	100.0
71.01382	16.0
78.95897	14.5
99.04541	25.5
117.20053	15.7
117.70426	17.3
159.61938	15.8
171.10341	23.5
181.56844	15.3
184.87053	15.0
191.05621	40.5
197.11844	28.4
207.10291	22.7
209.11827	28.2
225.11383	28.8
235.45903	20.1
244.48930	16.8
281.46893	23.0
295.22794	20.1
340.16098	19.7
366.42505	18.7
526.57666	17.2
700.38373	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08419	0.7
59.01375	2.8
61.98837	100.0
71.01371	1.8
71.31184	0.9
76.58171	0.7
83.05043	1.2
85.02950	1.2
88.27718	0.8
89.02471	1.0
95.77799	0.8
97.61639	0.8
101.02466	1.3
101.06694	0.8
113.02441	0.9
171.10257	4.6
172.10583	1.5
176.76106	0.8
183.13914	3.3
191.05632	1.5
197.11824	1.9
207.10188	0.9
209.11845	22.9
210.12201	1.0
211.13419	31.4
212.13687	1.2
227.12914	2.8
235.08237	1.9
253.09389	2.4
292.19885	1.1
309.20581	1.1
335.38989	0.7
447.22470	2.6
462.49283	0.8
502.32465	1.0
518.70154	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25178	0.7
53.41304	0.7
53.92727	0.7
54.92573	0.8
57.03467	0.8
59.01390	5.5
60.95285	0.8
61.98837	0.7
69.74120	2.8
71.01390	1.4
79.95728	2.3
80.81480	0.7
81.03471	3.2
83.05038	6.5
85.02924	0.9
87.00878	4.3
88.98766	0.8
93.03464	16.3
99.00925	0.7
109.02948	2.6
111.00880	2.6
111.04536	20.9
119.05041	1.0
123.04537	0.8
127.04041	1.2
137.02466	4.4
145.02951	1.6
155.03514	20.1
156.03835	1.7
158.74516	0.7
173.04541	3.9
182.07365	1.9
191.05658	2.5
197.09729	8.9
198.10057	0.8
199.04192	18.8
213.12869	1.7
217.05247	4.2
223.07733	2.2
239.10844	2.3
241.08817	0.9
265.08600	0.8
267.16095	0.9
269.04837	7.0
283.09631	1.1
287.05853	1.0
297.04343	0.9
309.07947	2.1
311.06259	1.0
337.07562	1.3
355.08429	26.9
356.08923	2.0
373.09567	6.3
511.63675	0.9
701.19000	100.0
702.19287	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94722	2.1
59.01382	42.9
60.26106	1.9
70.44865	3.4
70.45201	2.9
71.01382	36.4
72.99303	3.3
73.02947	7.7
83.01411	2.7
85.02962	10.0
87.00889	13.5
89.02457	60.8
95.01401	3.0
96.96987	3.4
101.02450	36.1
113.02464	20.3
119.03526	11.6
125.02428	4.0
131.03514	3.4
143.03503	9.0
159.04712	2.1
161.04562	9.9
177.39417	2.3
179.05620	37.1
185.54625	2.1
203.05646	4.2
221.06743	13.0
227.62674	2.4
323.09821	3.8
341.10901	26.9
358.71420	2.3
383.11975	63.2
384.12311	4.4
443.14197	17.6
485.15027	11.2
503.16406	8.7
539.13867	8.3
665.21490	100.0
666.21930	18.2
701.19092	32.2
702.19379	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10141	0.5
55.00130	0.4
59.01382	100.0
98.21711	0.9
109.18992	0.5
118.90247	0.5
130.23358	0.4
190.63368	0.5
228.81329	0.5
333.71835	0.4
423.11511	0.7
437.12729	1.0
438.13150	3.2
439.14099	1.3
451.13910	0.7
452.14764	2.3
453.15103	0.9
470.12268	0.8
480.14108	1.1
481.15222	31.8
482.15500	9.3
495.16733	11.2
496.17291	3.7
497.18393	8.0
498.18591	1.2
514.14795	2.7
515.15759	0.7
523.15997	0.9
525.14429	0.9
539.15881	1.8
540.16638	7.8
541.16486	1.7
554.18219	3.5
555.18872	70.7
556.19128	19.8
567.18896	1.2
572.15576	15.0
573.15674	3.7
586.17126	7.9
587.17145	2.7
600.18188	0.5
609.19702	2.1
627.21124	1.1
641.22583	30.4
642.22852	9.9
701.24677	71.1
702.24927	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.9
59.01386	1.9
68.99834	0.9
69.13256	8.6
71.01383	2.0
80.02716	1.0
81.03460	2.9
83.01406	3.9
84.30972	0.9
85.02962	2.8
88.41096	0.8
89.02427	1.7
93.03465	2.1
95.05036	3.1
96.96040	3.3
97.02953	7.3
97.84553	1.0
99.00904	1.0
100.51449	0.9
101.02446	1.3
103.74951	0.9
108.02182	2.4
109.02967	24.9
110.03291	1.7
113.02430	2.0
121.02984	4.0
123.04535	15.7
125.02461	17.4
135.04541	3.2
137.02467	9.4
139.04031	2.3
146.03722	1.7
149.02437	4.8
150.03181	1.6
151.03995	9.5
153.09230	1.3
157.06564	1.3
159.04494	3.1
160.05292	2.0
161.02467	1.9
161.06087	4.5
162.03200	1.6
163.04088	1.9
164.01218	3.9
164.04880	1.0
165.01891	4.4
167.03455	1.5
173.04616	1.0
173.06035	1.7
174.03250	1.2
175.04047	3.0
175.07674	2.5
179.03488	7.2
184.76973	1.0
185.06126	1.5
187.04086	5.4
188.04704	4.3
191.05528	1.6
193.04985	1.0
197.08179	2.3
198.09538	0.9
202.06320	1.7
203.07156	11.1
205.05101	7.4
209.61455	1.0
212.04799	1.0
217.05000	0.9
221.08197	4.3
227.07127	3.4
245.08208	20.7
246.08662	1.2
247.06114	1.4
282.73108	0.9
289.07193	100.0
290.07553	9.0
335.01691	1.3
359.13199	1.0
398.09869	1.0
549.54803	1.1
701.26489	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29388	7.1
59.01386	7.5
60.86171	6.1
61.98833	100.0
69.53074	6.2
78.95922	7.7
98.22532	19.5
113.17831	7.2
120.66767	6.4
160.75706	7.0
171.10318	21.4
191.05647	6.7
223.13391	42.2
235.75243	6.6
311.22189	7.5
345.14911	6.7
410.05685	7.1
459.22003	8.2
693.10052	7.7
701.32806	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
59.01380	3.4
61.50702	0.9
61.98845	3.9
69.01627	6.4
69.02042	2.3
69.03463	0.9
69.58790	0.7
71.01373	3.4
73.02928	1.0
80.02691	1.3
81.03467	1.7
83.01347	0.7
83.05024	6.1
85.02963	2.5
89.02461	2.1
91.49578	0.8
93.03419	1.0
94.81987	0.7
95.05054	0.7
99.00918	0.9
101.02448	2.3
101.92534	0.7
102.29824	0.7
110.19865	0.7
113.02444	1.4
113.04800	0.7
116.92881	2.6
121.03015	1.0
125.02427	1.4
133.05081	0.8
135.08147	0.9
163.11278	3.6
165.12903	1.4
171.10292	3.0
191.10829	1.2
197.11888	8.1
209.11847	100.0
210.12210	7.0
211.13417	1.1
227.12889	13.2
228.13333	1.3
235.08244	1.6
237.11241	1.5
237.14996	1.5
247.13411	1.4
253.09302	6.2
407.17084	0.8
485.46002	0.8
701.32672	10.5
702.33057	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.0
59.01375	2.1
61.18431	1.1
69.00080	11.8
69.00423	2.0
71.01418	1.0
75.00877	1.3
83.05004	2.2
87.00868	3.3
89.02457	2.2
93.03454	1.2
95.67728	1.1
96.04499	1.0
96.99300	1.3
97.06602	4.7
98.74342	1.2
99.04513	1.6
99.14101	1.2
109.06606	7.5
111.04540	2.9
121.91676	1.1
123.08173	11.5
128.37822	1.1
135.08185	7.0
136.05357	1.6
138.06900	3.9
141.09236	4.6
150.06863	15.2
151.07689	1.5
153.09218	13.7
162.06870	4.4
163.07683	7.5
164.08339	2.3
171.10327	2.0
176.08411	1.5
177.09244	3.5
178.02022	1.2
179.10812	6.8
187.09776	17.4
201.12906	3.7
201.55217	1.2
203.10767	3.3
204.11569	8.9
212.80899	1.3
217.10817	34.7
218.11220	1.7
219.13872	6.9
230.47652	1.1
263.10104	2.4
263.12894	41.1
263.34912	1.3
264.13187	2.7
320.19873	4.4
321.20651	3.5
350.20984	4.1
351.21967	3.1
439.28476	1.6
444.40472	1.2
520.30524	3.1
521.31348	8.3
538.31726	2.1
539.32159	4.2
540.32556	1.7
544.15894	1.2
544.24109	1.3
683.36572	9.3
684.37189	2.3
701.37610	100.0
702.37817	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.6
55.41013	0.8
57.03442	1.8
59.01376	2.2
61.06857	0.8
69.03475	0.8
69.66984	0.7
69.97188	2.0
71.01390	7.4
71.05045	1.2
71.50059	0.8
79.05552	0.9
81.03491	0.9
83.05014	2.3
85.02942	1.1
95.05051	1.5
97.02966	11.8
97.06578	1.0
97.94622	0.7
105.07109	3.5
107.05048	2.5
108.05839	9.8
109.02942	6.0
109.06604	3.2
111.04524	11.5
111.08178	1.3
113.06109	11.0
119.08681	2.7
121.02878	0.9
121.06599	3.4
122.03757	10.7
123.08175	8.8
124.01637	1.4
124.05334	1.5
125.06104	13.7
135.08189	1.7
136.05316	9.9
137.06108	5.9
137.09741	0.9
138.06886	17.0
139.07664	36.3
140.07985	2.4
145.06590	1.1
147.04480	0.8
147.83737	0.8
148.05292	5.8
149.06079	3.7
151.07660	79.1
152.04822	9.1
152.08463	35.0
153.09248	15.6
154.09569	1.0
159.11832	2.5
161.09732	4.9
162.06824	0.9
163.07687	9.6
165.05614	1.4
167.07127	4.7
170.05785	0.9
171.08258	1.0
183.11786	1.0
185.09727	1.2
186.10538	1.1
188.08450	1.2
189.09251	2.6
201.12877	20.6
202.13202	2.0
203.10789	13.0
204.11563	36.9
205.11926	2.6
219.13916	67.3
220.14236	5.6
221.38332	1.0
248.10495	1.0
263.12915	100.0
264.13251	11.8
457.98828	0.9
539.23059	0.8
694.24768	0.9
701.37604	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.8
71.01395	2.3
71.32097	2.5
71.32439	2.2
81.03437	1.9
83.01449	1.5
83.05045	4.9
89.02415	2.0
101.02508	2.1
107.53693	1.8
131.36288	1.5
135.22714	1.6
153.14647	1.7
163.11267	2.2
169.17723	1.8
175.29454	1.7
185.63232	1.6
196.62476	1.4
196.72963	1.4
209.11855	63.0
210.12151	3.9
227.12943	6.3
235.08231	6.3
253.09331	7.6
255.23320	100.0
256.23642	9.3
283.16241	1.6
593.26959	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87974	2.2
59.01385	59.7
60.01716	6.3
61.01805	6.2
61.98836	100.0
69.05186	7.3
69.05604	18.2
86.01125	2.6
98.22525	5.6
116.90298	2.2
121.02948	8.3
122.03275	3.1
191.00072	2.6
275.11142	2.3
280.61530	2.4
311.78339	2.5
329.88956	2.6
426.79245	2.8
602.67395	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56964	5.7
54.34357	5.0
59.01386	63.4
69.53665	11.0
69.54073	28.5
84.97056	5.3
99.04519	100.0
100.04873	11.4
104.10019	6.8
108.39208	6.8
119.80516	5.2
142.98381	5.6
216.39995	5.7
287.46417	6.3
369.52557	5.3
513.20941	6.8
514.21503	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90450	0.5
52.83397	0.7
59.01392	1.5
60.45180	0.6
60.99345	0.6
63.42675	0.5
67.01878	1.3
68.52885	0.6
69.13847	3.1
69.14275	2.0
71.01360	1.5
85.02968	3.3
87.00889	3.4
93.03465	11.8
96.51434	0.8
96.95985	1.0
99.67196	0.6
109.02969	0.8
111.04525	1.8
119.05021	2.9
121.02958	1.5
127.04035	0.8
133.02989	2.4
134.03755	40.1
135.04132	1.8
137.02463	7.2
139.04022	1.8
149.02463	2.7
149.06091	13.6
150.03215	0.8
155.03516	0.6
163.03964	3.2
164.04814	1.9
173.04532	4.1
177.01912	0.8
178.02737	25.9
179.03177	1.5
179.07141	1.1
191.05632	57.1
192.05966	2.7
193.05069	100.0
194.05379	6.7
255.64561	0.6
263.03448	2.4
264.03925	0.9
265.05115	2.2
267.06631	0.6
293.04547	1.6
294.04904	0.7
295.02460	0.9
311.05591	0.7
319.02454	2.3
320.02997	0.7
337.03586	9.5
337.09320	14.0
338.03903	1.1
338.09741	1.1
351.07175	0.8
355.10400	17.4
356.10559	2.0
511.08823	4.6
512.09119	0.9
703.14825	2.7
704.15570	1.2
713.03766	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14479	10.4
59.01377	25.5
61.98846	100.0
71.01370	17.2
74.18732	10.6
78.95889	14.3
83.05026	10.4
97.22572	11.5
97.27948	11.1
125.02462	15.5
163.11320	18.4
182.22673	11.8
207.10172	21.1
209.11839	36.0
211.13489	12.5
223.13411	29.6
225.11343	21.6
262.61823	13.8
302.78949	12.6
309.20724	14.9
517.56219	13.8
569.56909	13.8
649.32446	22.2
667.33215	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91755	1.6
59.01388	11.2
61.98835	23.7
65.00323	1.6
69.06450	3.5
69.06851	13.4
71.01389	10.3
75.12023	1.5
80.02666	3.7
81.03466	4.9
83.05053	9.6
85.02976	2.3
87.00858	2.0
89.02470	7.4
95.05022	2.4
97.02966	5.5
98.21798	2.8
101.02451	5.7
109.06609	22.5
113.02492	4.9
125.02447	2.2
125.09696	2.2
135.08162	4.1
137.94969	1.6
143.63095	1.7
161.04594	2.3
161.09741	2.8
163.11290	19.1
171.10408	2.2
173.04546	2.4
181.12373	8.5
185.11858	2.7
189.09210	2.7
191.10818	2.0
197.11848	4.9
207.10277	65.2
208.10587	2.3
209.11841	100.0
210.12177	6.7
211.13455	2.1
214.99377	1.6
225.11322	31.3
226.11591	2.2
227.12904	18.3
235.05908	1.7
235.08241	4.6
249.11256	2.8
253.09349	12.1
289.07153	2.1
399.21762	5.1
399.40311	1.9
413.19751	2.0
417.22928	5.6
443.19333	4.4
445.21063	2.1
461.20358	11.4
635.30859	13.6
636.30762	4.7
653.31836	13.0
654.31940	2.0
671.32892	23.0
672.32623	4.5
703.35364	3.7
729.26508	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25116	1.2
57.03451	1.9
59.01378	12.2
59.83175	1.2
61.98837	5.9
71.01381	5.7
71.31760	2.7
71.32151	1.6
78.95908	1.4
80.02706	2.5
80.69083	1.3
80.96512	3.2
81.03467	3.5
83.01398	2.4
83.05039	8.4
85.02966	3.3
87.00889	2.6
87.77798	1.3
89.02473	3.7
95.01363	1.4
97.02943	4.1
99.00925	2.2
99.04495	1.4
101.02457	5.6
103.01456	1.5
107.68340	1.2
109.06590	19.0
113.02441	2.6
121.06543	1.7
125.02453	2.3
125.09708	4.4
135.08203	3.8
145.00369	1.6
161.04573	3.4
163.11311	13.4
165.12820	4.1
171.10306	3.3
178.30200	1.4
181.12334	3.2
197.11829	5.1
207.10280	45.2
208.10663	4.1
209.11847	100.0
210.12160	12.6
211.13478	1.4
225.00761	2.4
225.11328	31.5
227.12927	13.3
228.13188	2.0
233.05287	1.3
235.08278	3.4
253.09229	7.9
264.92535	1.5
273.17078	6.0
273.49246	1.5
274.17523	4.7
275.17679	2.7
399.21899	2.4
401.78891	1.4
417.23059	2.6
429.08765	1.3
443.19205	3.2
445.20596	1.5
461.20193	10.5
635.30469	5.9
636.31226	2.6
653.31421	7.2
654.32312	3.5
671.32770	16.3
672.33167	6.9
703.29901	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65237	9.0
57.71795	9.3
58.25221	9.2
61.98840	21.3
63.34116	9.4
69.00266	100.0
78.95933	16.8
95.11250	10.2
98.22543	20.3
138.86589	10.3
149.88039	11.1
150.70508	9.8
255.23175	21.1
725.32507	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.383
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01121	86.1
120.42268	94.2
147.00623	84.6
243.48111	86.1
423.14709	87.4
482.22327	100.0
573.15753	94.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79970	0.8
56.66391	0.8
57.03446	2.4
59.01384	5.0
61.98821	4.5
62.11903	0.9
62.40107	0.9
71.01382	6.1
72.99303	0.9
73.02962	3.2
77.77835	0.9
83.01376	0.9
85.02967	1.9
87.00862	0.9
87.24860	0.7
89.01885	2.2
89.02445	45.7
97.06597	2.1
99.04553	1.8
101.02453	1.5
109.06622	1.2
111.04509	1.2
113.02474	1.4
123.04497	1.3
123.08180	1.8
124.08548	0.8
125.02461	3.1
134.70770	1.0
135.08183	2.9
136.05400	1.7
137.02454	1.2
141.09200	1.0
149.06062	1.8
150.06877	20.3
151.03957	1.0
151.07419	1.7
153.09225	2.1
154.09505	1.1
158.97212	0.9
162.06897	9.3
163.07661	5.7
164.08362	4.0
165.09224	2.3
175.07733	1.2
176.08492	1.4
176.23880	0.8
177.09236	3.6
178.10214	0.8
179.10796	10.9
180.11119	2.3
187.09782	4.3
217.10867	3.9
218.11273	2.4
232.70441	1.0
263.12875	1.9
264.13272	1.4
265.14304	1.9
267.22281	0.9
327.21719	1.0
436.28662	1.2
450.30124	2.3
451.30368	5.6
495.33417	3.0
511.33112	1.6
523.32599	1.6
541.33447	3.8
542.34442	1.1
659.36957	2.0
660.35925	1.4
673.37079	1.3
685.37946	4.0
703.38928	100.0
704.39392	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92661	2.0
61.98833	7.7
69.13974	2.1
69.75346	9.8
78.20956	2.4
78.95909	100.0
96.96983	4.5
98.22437	2.7
116.43410	2.2
132.36526	2.0
152.99583	16.1
196.89569	2.4
216.96042	2.3
255.23343	21.3
256.23593	3.2
267.19528	3.3
275.55991	2.3
285.35022	2.0
292.70242	2.0
330.34509	2.2
364.45105	2.3
391.22333	3.1
409.23639	2.1
423.32770	13.2
425.34540	5.5
449.30435	5.6
467.31650	32.7
468.31985	6.0
469.33212	11.9
470.33588	3.6
514.79462	2.2
703.50842	28.0
704.49420	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44373	0.3
59.01385	12.3
60.01724	1.0
61.01812	0.4
61.98834	100.0
62.48577	0.3
63.76434	0.3
64.06219	0.3
64.93379	0.2
65.47446	0.3
67.25011	0.2
69.15898	2.1
78.95909	0.3
91.94514	0.3
100.55682	0.3
113.59692	0.2
125.74190	0.2
166.33076	0.3
209.11922	0.6
277.21780	0.6
332.24353	0.3
360.98172	0.3
381.98584	0.3
421.31073	0.3
441.13699	0.3
483.15262	1.3
484.15454	3.2
485.15723	0.4
497.16849	0.6
498.17224	1.0
499.17880	0.4
500.18835	0.6
542.16577	0.5
543.17065	0.6
556.18878	0.5
557.18774	2.5
558.19135	6.3
559.19672	0.8
574.15881	0.6
575.15961	1.6
589.17535	0.7
600.62555	0.3
643.22931	0.4
644.22778	2.8
645.22760	0.5
704.24976	9.0
705.24231	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.1
65.21485	0.5
67.01896	0.9
71.01373	1.4
73.02927	0.4
73.47541	0.5
81.03467	1.0
81.24702	0.4
83.05043	2.1
85.02956	9.0
85.03474	0.5
87.00869	1.2
87.25615	0.6
89.03967	1.9
93.03472	8.0
96.96011	0.7
98.22640	1.0
104.54752	0.5
109.02962	1.6
111.00858	0.6
111.04527	5.4
117.03473	6.8
119.05037	25.9
120.05384	0.7
121.02966	0.7
123.04443	0.6
125.02444	1.4
127.04010	1.0
129.01962	3.6
132.05792	0.6
133.02934	1.1
134.03748	91.1
135.04468	4.8
137.02458	1.8
145.02914	0.7
147.03038	0.8
147.04573	1.4
149.06093	11.1
151.04077	0.5
155.03549	4.9
159.04507	0.9
161.02449	1.1
163.04015	19.8
164.04340	1.0
173.00897	1.3
173.04558	20.5
173.06055	1.1
174.04845	0.8
175.03975	0.8
177.02048	0.7
178.02786	0.8
179.03523	1.0
191.02037	0.8
191.05630	23.7
192.06068	1.1
193.05074	100.0
194.05408	6.0
201.05447	0.5
211.07631	0.9
251.07202	1.5
252.07912	0.9
253.08693	2.3
254.09486	3.6
267.06805	0.6
267.10184	1.4
269.11935	1.0
280.07358	0.6
289.07199	1.4
295.06143	1.3
309.82172	0.5
313.10828	5.8
325.09299	1.0
337.05881	1.2
337.09335	1.9
339.05035	4.8
339.08569	0.6
340.05411	0.7
357.09811	38.5
358.10239	3.5
367.10342	40.9
368.10764	3.7
484.21173	0.6
513.10364	3.5
531.15173	8.4
532.15668	0.8
705.20428	9.4
706.20605	1.9
732.84637	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96640	0.5
59.01385	3.1
67.01902	1.0
71.01361	1.7
71.01974	0.8
85.02960	7.4
87.00875	3.0
89.02448	2.3
93.03468	9.9
96.96002	0.9
97.49919	0.4
101.02444	0.8
103.16535	0.5
109.02954	1.3
111.04510	1.9
113.02442	0.5
117.28480	0.4
119.03458	0.5
121.02938	1.6
127.04027	1.3
129.01958	0.5
133.02959	1.4
133.27951	0.5
134.03720	0.5
135.04486	1.5
137.02423	0.6
147.04492	1.3
153.09201	0.9
155.03554	0.5
159.04521	0.7
160.01678	0.5
161.02452	4.0
173.04584	2.8
177.01848	0.5
179.03587	1.0
191.05620	40.2
192.05934	1.8
195.08246	2.3
197.08203	1.6
209.06036	0.5
211.07501	0.9
221.06041	2.0
222.06752	0.9
223.07643	3.7
229.01233	0.7
237.05524	1.2
238.06108	0.6
239.07152	2.9
247.03918	0.5
249.05464	2.2
250.06213	1.4
251.07109	3.9
252.04555	0.5
265.05109	1.2
266.05701	1.0
267.06674	7.2
268.07175	0.8
277.05072	2.7
278.05414	0.6
293.04593	3.0
294.05042	0.5
295.06128	7.1
296.06412	0.7
311.05670	3.2
321.04108	10.7
322.04535	1.2
327.11090	0.5
339.05103	62.1
340.05450	6.7
357.09860	4.4
377.14505	1.1
495.09366	1.0
513.10413	100.0
514.10748	16.2
514.17041	0.3
705.18494	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.5
59.01372	3.1
67.01884	1.6
69.62794	6.8
71.01367	1.6
81.03442	2.0
83.05013	1.7
85.02956	15.8
87.00866	2.0
93.03463	17.1
96.96012	1.9
99.04498	1.4
100.36559	1.1
109.02962	3.4
111.04552	8.5
111.33141	1.2
112.62512	1.1
117.03468	3.4
119.05041	29.7
120.05367	1.4
121.02933	3.3
123.04505	2.6
125.02451	3.1
127.04034	2.0
129.01953	3.3
132.05846	1.5
133.02945	2.7
134.03755	67.9
135.04575	12.8
137.02470	8.2
138.28217	1.2
139.42682	1.4
143.04907	2.5
145.03008	1.4
146.03687	1.4
147.04538	2.9
149.06104	13.4
155.03471	6.2
158.03757	1.8
159.04524	2.7
161.02486	3.5
163.04019	14.1
165.01936	3.3
167.03537	1.6
173.04564	40.2
173.06050	2.5
174.04889	1.9
178.02725	10.9
179.03555	1.7
183.04570	1.6
187.04008	1.5
191.01974	4.4
191.05621	61.8
192.05946	3.0
193.05069	79.8
194.05376	3.5
195.06641	5.8
195.08211	2.6
211.07634	2.6
221.06047	2.1
222.06854	2.3
223.07709	3.7
237.05554	1.6
239.07056	7.2
245.89044	1.3
249.05510	3.1
250.06221	2.4
251.07098	10.5
252.07817	2.9
253.08742	6.6
254.09567	7.3
266.05725	1.4
267.06598	12.7
267.10016	2.5
268.06921	1.9
269.11771	3.0
277.04852	1.5
280.07315	2.9
289.07422	1.6
295.06094	15.0
295.09711	3.8
311.05606	4.6
313.07175	2.0
313.10788	11.6
323.07715	1.9
337.09244	2.2
339.05096	100.0
339.08566	5.1
340.05417	11.3
355.10300	4.9
357.09808	89.0
358.10349	10.0
367.10370	19.6
368.10632	2.5
413.00583	1.4
487.12894	1.5
513.10376	67.2
514.10559	13.3
531.15314	16.9
532.15631	3.0
705.21228	13.2
706.22260	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84649	0.4
54.65749	0.3
57.03428	0.4
59.01377	1.2
64.20802	0.3
69.19298	0.3
71.01381	1.0
73.02970	0.4
77.80328	0.3
81.03448	0.6
83.05008	0.6
85.02954	9.0
87.00884	1.9
89.03933	0.6
92.49969	0.4
93.03449	4.7
99.04554	0.6
109.02960	0.7
110.51453	0.4
111.04535	2.3
113.02431	0.4
116.24632	0.3
117.03487	2.1
119.05032	4.6
121.02965	0.5
123.04517	0.6
125.02471	0.7
127.04043	2.2
133.02953	1.3
134.03746	20.2
135.04189	0.6
137.02449	0.9
147.04556	0.6
149.06128	2.0
155.03528	1.5
161.02454	0.4
163.04005	3.2
173.04543	5.2
177.01944	0.6
191.05618	100.0
192.05963	4.1
193.05064	20.9
194.05392	1.1
226.06349	0.5
241.08560	0.5
251.07112	0.9
252.07799	0.4
254.09543	1.0
280.07477	0.4
289.07211	0.8
295.06427	0.5
295.09680	0.6
313.10822	1.4
339.05075	1.6
351.07111	0.4
357.09808	13.1
358.10251	1.6
367.10358	8.3
368.10635	0.7
513.10187	0.6
531.14984	2.5
549.33545	0.4
627.75330	0.4
705.20142	3.8
706.20416	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29389	9.3
61.83580	8.6
61.98822	23.4
67.22906	9.1
73.78619	12.4
82.81010	9.0
94.12133	10.8
100.42940	12.1
103.12658	10.7
105.59827	10.8
121.02973	22.5
140.42395	9.6
224.69160	8.7
327.05191	12.3
357.09668	15.8
390.49054	9.9
441.78555	10.1
477.15894	11.5
507.20392	100.0
508.20462	27.0
591.20428	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	14.1
61.98840	100.0
70.39767	5.1
71.01388	16.4
71.31669	5.3
71.32076	6.4
89.02440	6.2
97.81759	4.2
125.02481	5.1
207.10295	5.9
209.11841	68.2
210.12219	11.5
211.13362	12.5
223.13399	38.2
224.09459	4.7
225.11462	6.2
227.12923	18.6
234.61949	4.8
253.09370	6.1
440.17007	5.2
463.22195	6.6
474.51163	5.0
483.31189	20.2
543.33337	40.3
544.33435	11.9
705.32813	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
55.81416	1.2
57.03437	2.8
59.01388	12.3
61.98836	10.8
69.02422	5.9
69.02857	4.6
71.01383	11.4
71.05019	3.2
73.02937	2.3
81.03452	1.4
83.01392	1.3
83.05042	2.9
84.81610	1.0
85.02943	3.8
85.68934	1.3
87.00893	5.4
89.02444	4.8
93.03470	1.9
95.05044	1.5
97.02975	5.4
97.06608	1.7
99.00887	21.5
101.02478	6.0
109.06618	2.6
111.04510	1.5
113.02453	3.3
119.03535	1.6
119.81221	1.0
123.08179	2.5
125.02424	3.5
125.09753	9.1
127.11259	1.4
129.98801	1.2
135.08121	1.5
137.02481	2.3
145.81090	1.2
151.04004	2.1
152.90652	1.1
153.12874	1.4
161.04576	2.3
161.09773	2.4
163.11307	9.2
165.01918	2.7
165.09131	1.0
171.10298	5.9
173.04532	3.4
173.05994	1.4
179.10786	4.0
181.12358	17.2
186.09441	1.0
191.05618	3.4
197.11850	21.2
199.13434	11.3
201.11345	8.6
207.10294	36.8
208.10600	2.8
209.11853	18.5
210.12215	1.2
225.11336	53.6
226.11720	2.0
227.12927	3.1
243.12367	30.5
244.12692	2.5
253.09302	3.4
263.99619	1.3
289.07236	1.5
290.14844	1.3
461.20224	2.1
463.30463	1.9
479.21387	11.4
480.21719	1.9
524.30505	1.3
543.27618	3.3
661.30811	3.8
662.31909	1.4
669.42725	1.3
687.32159	16.9
688.32501	3.2
705.33374	100.0
706.33777	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18875	1.4
58.30585	1.1
59.01387	2.8
62.41812	1.1
66.48631	1.1
71.01386	2.4
77.45527	1.2
81.03473	1.2
83.05017	4.9
84.02164	2.0
85.29872	1.2
101.02435	1.5
101.94698	1.5
135.08273	1.2
161.04526	1.4
163.11285	3.6
165.12836	2.6
191.10867	1.3
209.11844	100.0
210.12184	8.8
227.12866	14.8
228.13513	1.1
228.97519	1.9
253.09288	6.9
445.20618	2.4
592.27484	1.3
605.17279	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99313	21.9
63.85270	0.7
69.18426	2.7
69.18847	3.8
77.06248	0.7
85.13628	0.7
87.00912	1.0
88.00400	1.3
88.98814	100.0
89.02452	14.0
89.99157	1.1
94.04408	0.7
98.21764	1.2
209.11888	7.1
277.21786	7.1
299.71588	0.7
434.84595	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55713	8.2
78.95905	10.0
94.00054	1.4
95.13154	1.5
101.82398	1.7
116.04362	1.5
257.11813	1.7
277.21719	36.2
278.22119	2.8
409.31616	2.0
425.34250	38.9
426.34485	5.2
451.32098	7.2
468.32938	2.0
469.33237	100.0
470.33664	17.1
604.15332	2.0
619.53137	1.6
705.51385	29.3
706.51508	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01911	0.5
59.01373	1.3
61.98832	4.0
71.01381	2.1
81.03447	0.6
83.01395	15.1
84.01714	0.7
85.02953	0.8
87.00864	1.3
89.02454	1.4
93.03482	2.0
98.22522	1.3
101.02445	0.9
103.17900	0.5
107.05048	1.4
108.02179	6.5
109.02987	3.4
111.04565	0.5
113.02453	0.8
117.07107	0.6
121.02967	16.5
122.03753	1.8
123.04594	0.6
125.02464	2.8
133.02988	0.6
133.06618	0.7
134.03697	0.9
135.04539	0.9
136.01678	3.7
137.02489	3.3
143.04761	0.5
145.02910	0.5
145.06662	0.5
147.08197	3.5
149.02438	0.6
150.03259	3.9
151.03990	1.4
157.06604	2.1
160.05244	1.3
161.02505	0.5
161.06067	3.4
162.06871	0.6
163.11215	0.5
171.10255	1.2
173.06052	0.6
175.07649	4.7
177.03416	0.8
182.02232	1.6
189.05582	2.1
190.06221	0.7
191.05507	0.6
199.13406	0.5
201.11327	0.9
207.10320	0.7
209.11835	1.9
219.06644	1.1
225.11346	1.7
227.12904	0.7
233.04510	0.9
289.07083	1.4
293.08838	0.5
296.10547	4.4
297.11252	3.7
325.10831	15.2
326.11154	2.5
340.09253	1.1
369.09802	100.0
370.10120	13.1
461.20132	0.6
580.53851	0.6
689.34082	1.0
706.32819	1.3
707.34583	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35141	0.1
59.01387	0.1
61.95131	0.1
61.98834	100.0
62.98537	0.2
69.10477	0.8
69.10892	0.2
71.01419	0.1
81.37510	0.1
88.98845	0.1
98.22348	0.4
125.69873	0.1
138.22414	0.1
141.10201	0.1
149.59735	0.1
165.12927	0.1
171.64722	0.1
185.45378	0.1
207.10403	0.1
209.11911	0.5
210.12073	0.2
244.52573	0.1
266.49323	0.1
272.39999	0.1
280.05411	0.1
287.87930	0.1
355.06271	0.1
501.32468	0.1
589.22467	0.1
653.31982	0.1
657.64319	0.1
674.35303	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24410	1.6
78.10307	1.3
78.15781	1.7
85.02961	4.9
93.03458	2.1
93.80534	1.6
98.22521	4.6
100.48486	1.7
106.93082	1.6
107.05049	1.9
107.56789	1.4
111.04533	3.2
133.02956	3.9
134.03709	4.7
135.03510	2.8
135.04538	53.7
136.04883	1.6
155.03484	2.1
161.02473	3.6
173.04570	3.5
179.03513	51.4
180.03813	3.0
191.05624	100.0
192.05978	4.3
205.07764	1.5
222.33124	1.6
276.35846	1.6
353.08792	63.6
354.09076	7.5
360.78357	1.7
611.62897	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20358	0.6
57.03437	0.8
59.01374	1.2
65.54653	0.7
67.01884	2.9
69.39922	5.1
71.01376	2.0
72.37497	0.7
83.05029	1.5
85.02960	9.7
87.00882	2.7
93.03474	19.0
108.02178	0.9
109.02962	4.8
111.04543	3.6
119.05001	1.4
123.04566	0.9
125.02496	1.0
127.04047	1.7
133.02972	1.7
134.03746	2.6
135.04547	35.5
136.04918	1.3
137.02461	4.0
155.03535	2.4
161.02469	3.2
161.06082	1.4
163.04045	1.5
173.04572	54.4
174.04886	4.4
179.03517	35.6
180.03859	2.3
187.03848	0.8
191.05634	100.0
192.05954	9.8
193.04665	1.1
193.06108	3.0
241.05084	1.1
242.05803	1.6
271.09689	2.6
279.06461	0.9
289.07303	3.7
321.47641	0.9
323.05115	1.2
337.09616	1.0
352.32703	0.8
353.08813	45.6
354.09048	3.6
357.09494	0.8
358.10077	0.9
359.07770	2.4
463.11166	1.3
464.55643	0.8
503.32523	0.7
515.11603	2.1
533.12640	2.9
643.94635	0.8
707.18219	11.0
708.18823	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17255	0.7
57.03458	0.7
59.01374	1.4
64.49375	0.7
67.01882	1.0
69.03454	1.1
70.64520	1.8
71.01379	6.1
73.02940	1.2
85.02958	13.2
87.00886	2.5
93.03465	11.9
96.96049	1.3
108.02174	8.8
109.02965	24.5
109.03719	1.4
110.03278	1.0
111.00922	0.9
111.04535	5.3
113.02435	1.0
115.00380	14.7
119.05099	1.5
121.02946	3.8
123.04552	3.7
124.01760	0.8
125.02474	1.8
127.04044	2.3
133.02969	2.2
134.03789	1.1
135.04544	8.7
137.02458	2.6
139.82507	0.9
147.04555	1.8
148.05333	2.8
149.06090	6.9
150.06352	0.8
155.03563	3.2
159.04594	1.1
161.02547	0.9
161.06116	10.3
163.04053	2.3
163.07675	2.6
173.04553	26.7
174.04919	1.1
175.03990	1.8
177.02107	1.0
177.05608	1.1
179.03510	4.1
185.06157	0.9
187.04030	1.0
191.05617	100.0
192.05959	5.2
193.05070	2.0
213.05582	2.1
226.06281	1.2
238.06149	0.8
241.05171	4.3
242.05849	40.2
243.06517	14.9
253.08737	1.9
256.07288	0.9
269.08197	2.6
271.09778	50.1
272.09940	5.0
297.07800	4.1
302.90863	0.9
315.08795	2.5
341.06726	4.4
353.09003	1.5
359.07727	49.8
360.08054	4.0
463.10962	4.4
489.14328	1.8
515.11835	1.0
533.13031	27.3
534.13226	5.9
687.45508	0.9
707.18365	26.9
708.18530	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.8
60.99287	0.9
67.01914	3.1
69.38728	2.5
69.39131	1.4
71.01386	4.2
73.02924	0.8
81.03460	1.7
83.05035	0.8
85.02963	12.2
85.03452	0.5
87.00888	8.1
93.03465	25.8
108.02202	1.2
109.02960	5.1
111.04539	4.5
112.25336	0.7
115.00410	4.2
117.01937	0.8
119.05012	1.0
121.02969	1.8
125.02449	1.0
127.04021	2.8
129.01941	1.2
133.02911	1.0
134.03773	1.2
135.04576	3.4
136.05325	0.9
137.02457	2.0
155.03517	1.3
161.02469	0.8
161.05981	1.0
163.04050	0.8
171.03001	1.0
173.03104	1.3
173.04562	18.1
173.06021	1.3
174.04886	1.2
175.04007	1.9
178.02531	0.6
179.03558	1.6
187.04005	2.2
188.04692	0.7
191.05623	100.0
192.05989	5.1
193.05070	1.1
195.06644	11.5
196.06914	1.3
213.05511	1.5
219.03009	1.5
226.06328	0.8
241.05093	2.3
242.05867	8.6
243.06598	6.4
251.07442	0.9
269.08002	0.7
269.51102	0.8
271.04532	0.7
271.09741	2.6
279.06561	1.2
281.04587	0.9
282.05530	0.9
289.05560	4.1
295.06201	1.5
297.07748	5.3
298.07932	0.7
323.05624	8.2
324.05869	1.0
339.04950	1.9
340.05380	1.3
341.05905	2.7
353.08829	2.5
357.11899	2.3
393.08380	0.9
439.01526	0.7
463.10980	11.4
464.11432	1.2
514.10834	1.9
515.11523	7.4
533.13586	1.3
590.35034	0.8
707.18274	46.6
708.18640	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51554	0.3
59.01381	3.0
59.60914	0.4
60.67082	0.4
67.01878	0.6
69.02158	1.1
69.02566	2.6
71.01381	2.0
73.45019	0.4
78.45161	0.4
82.27006	0.4
85.02952	6.5
87.00839	0.7
89.02452	1.9
93.03460	1.9
96.95989	0.5
101.02442	0.8
109.02927	0.7
111.04552	0.6
119.03522	0.4
124.26183	0.4
125.02496	0.6
127.04019	1.3
133.02968	1.0
147.04501	2.4
161.02422	2.9
173.04588	0.8
179.05602	0.8
180.87537	0.4
191.05627	100.0
192.06001	4.8
223.41051	0.4
233.24820	0.4
327.10782	1.4
353.08774	16.6
354.09058	1.3
381.14301	0.4
479.13202	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
61.98835	2.8
63.02420	1.3
65.00332	1.4
69.21133	3.9
69.21562	3.0
71.01393	1.3
83.01407	1.6
84.26086	0.8
87.00880	0.8
92.63025	0.8
94.45016	0.8
98.22495	1.1
107.01408	2.5
125.02430	2.4
132.52620	0.7
145.02956	1.4
151.00378	8.0
157.02928	1.0
161.02495	1.7
164.01265	1.1
165.01990	1.0
171.04524	1.9
171.10242	1.9
171.65315	0.7
175.04037	1.4
178.99898	1.8
182.03598	0.7
183.04463	1.4
187.04102	1.4
199.04025	9.1
200.04539	1.0
201.01965	1.9
201.11320	1.2
203.03502	1.3
209.11841	2.8
215.03540	6.4
216.03760	0.8
216.27104	0.8
225.01721	0.9
225.11310	1.0
227.03526	8.9
228.03981	0.9
229.01402	0.8
242.02209	15.8
243.02998	65.5
244.03351	5.1
255.03023	11.6
256.03387	1.3
257.04593	14.6
258.04803	1.0
270.01761	15.6
271.02502	69.5
272.02933	9.0
285.04108	28.0
285.07376	1.3
286.04831	7.2
287.05615	1.9
299.02008	58.2
300.02753	27.8
301.03244	2.7
313.03580	0.9
313.07724	0.8
314.04355	68.5
315.05072	52.4
316.05515	3.1
357.06152	1.7
358.06537	1.0
397.66391	0.8
597.54150	0.8
665.17126	8.5
666.17139	1.8
707.18323	100.0
708.18701	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
60.30095	1.1
60.70836	1.1
63.02406	1.4
97.71544	1.2
98.22367	6.4
107.01372	2.7
125.02440	1.5
134.01790	1.2
151.00371	6.9
171.04727	1.5
175.04056	1.2
183.04515	1.4
199.04030	8.9
201.02005	1.8
211.03896	1.3
215.03510	7.1
227.03506	8.3
229.01468	1.5
242.02194	14.3
243.02985	70.2
244.03455	6.3
255.02977	12.8
256.03384	1.4
257.04559	13.1
270.01730	15.6
271.02481	75.5
272.02896	8.1
285.04065	25.6
286.04620	8.3
287.05435	1.6
299.01978	55.2
300.02737	29.7
301.03241	1.8
314.00696	2.4
314.04349	64.4
315.05063	71.2
316.05463	4.8
337.35526	1.2
357.06201	3.3
665.17249	7.7
707.18292	100.0
708.18726	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73652	3.6
59.01387	32.4
61.98836	64.1
63.58028	3.7
63.63568	3.8
64.97528	3.7
70.95976	8.9
71.01369	6.7
76.80652	3.7
78.95891	8.7
81.20481	3.5
85.02956	12.5
99.04510	4.6
101.02436	5.7
109.57603	3.6
129.32829	4.0
143.67525	3.6
207.10258	4.3
209.11748	6.4
381.71585	4.0
485.32782	100.0
486.33163	15.3
503.33691	7.0
627.41052	4.1
629.24640	4.3
671.26898	16.5
707.37762	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
65.18022	1.3
69.03697	1.0
69.03926	5.8
69.04343	5.7
76.84401	1.2
86.40945	1.2
87.56185	1.1
98.21723	2.0
98.22422	4.1
98.68401	1.2
99.04540	2.7
106.88267	1.2
116.26624	1.2
158.79181	1.2
199.68753	1.5
242.02296	2.1
257.04572	7.6
258.04898	1.5
272.06870	9.1
274.58954	1.5
298.08459	4.2
304.05902	2.1
306.02725	1.3
313.10815	7.4
313.95126	1.3
326.07993	7.8
327.05127	1.4
327.08807	3.2
338.11575	1.7
341.10245	17.9
342.10873	4.7
356.12671	28.5
357.09656	1.6
357.13324	6.9
358.10471	3.4
371.14984	41.0
372.15359	4.0
373.12991	4.5
388.15247	2.9
403.17627	69.3
404.17932	7.8
455.17139	3.9
485.21823	68.9
486.22244	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09739	2.7
57.03429	4.7
57.39982	1.9
58.58280	1.9
59.01379	12.3
61.98824	7.5
63.93170	2.1
69.59204	11.1
71.01392	10.8
73.02947	3.3
80.05056	7.5
81.89817	1.9
83.01392	2.8
87.00886	1.9
89.02435	4.8
94.02985	22.3
94.06622	2.5
99.22189	2.1
101.02460	5.0
104.05096	3.5
106.06596	3.6
107.03789	5.9
108.04512	2.9
113.02438	3.4
120.04516	3.2
122.06124	35.8
123.06443	2.7
124.04040	3.2
124.07719	2.3
125.02453	3.6
132.04581	3.0
134.06111	8.3
138.05594	6.9
139.86737	2.3
146.06163	2.8
150.05580	5.4
152.07178	74.0
153.07411	2.8
171.10278	4.7
174.05600	5.0
188.07147	7.7
191.05597	2.7
201.10345	7.5
209.11838	6.6
213.10300	6.1
217.61600	2.4
225.10535	3.1
227.11932	5.9
229.09932	10.0
229.13756	2.4
237.10352	5.3
239.11873	8.1
245.12988	15.6
249.10326	2.5
250.07306	2.3
253.09625	4.2
255.11334	5.3
257.12997	5.6
263.08252	4.5
265.09805	9.6
266.10516	2.4
267.11179	4.5
273.12500	3.5
277.09711	3.9
278.06998	4.6
278.10571	4.8
279.07800	7.4
279.11395	3.9
284.03232	2.1
289.12277	3.0
291.07864	2.5
293.09372	18.1
294.09964	6.5
295.10898	12.6
301.11874	17.3
307.10773	4.4
309.12418	5.5
313.11926	6.1
319.09430	4.4
319.12979	50.7
319.66266	2.2
320.13232	4.3
323.10300	7.0
325.11954	2.4
327.13519	4.5
337.08224	11.0
338.08789	3.1
355.13007	5.3
356.13828	3.0
374.15079	9.0
386.15256	4.3
392.16199	5.9
416.16101	6.2
434.17279	5.9
444.15704	5.2
459.17896	6.9
460.19019	4.2
462.17035	2.6
476.18408	2.6
504.17694	12.6
505.18054	2.8
511.19263	2.6
518.19238	11.7
519.19739	3.4
539.23022	9.0
550.21930	21.7
551.22095	5.1
557.24042	6.1
581.24023	8.1
583.22083	6.3
599.25171	46.0
600.25159	8.8
602.22662	2.4
613.26678	2.6
615.24414	6.1
631.27692	5.1
643.24139	42.7
644.24298	10.6
657.25299	6.1
675.26691	100.0
676.27069	25.9
707.28540	15.3
708.29437	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
58.00587	1.1
59.01383	30.9
61.40972	0.4
65.00362	0.4
69.12953	2.9
69.13359	1.1
71.01389	19.0
72.99297	1.4
73.02951	0.7
79.95741	1.4
83.01376	0.8
85.02960	4.1
86.03290	0.4
87.00871	1.1
89.02451	20.4
93.03439	0.7
95.01382	1.7
96.96018	28.3
101.02447	13.0
113.02457	6.6
119.03510	8.8
119.57400	0.4
121.91010	0.5
125.02448	1.0
131.03577	0.6
133.02873	0.5
137.02473	0.6
141.09233	2.6
142.50345	0.4
143.03459	0.8
149.04538	0.7
151.00333	0.6
159.10283	1.2
161.04636	0.5
173.04558	0.7
179.05609	0.6
240.09666	0.5
271.02496	1.6
300.02759	2.7
301.02805	0.5
310.31186	0.4
321.15552	100.0
322.15915	7.6
399.00470	1.6
609.14557	2.2
707.21832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52067	1.9
57.03447	4.4
58.00582	3.0
58.55051	2.2
59.01383	17.2
61.98836	30.4
65.38834	2.2
71.01388	38.8
73.02949	5.3
79.52748	2.2
80.02650	2.7
83.05035	7.0
85.02951	4.8
87.00887	7.5
88.98790	4.0
89.02460	11.7
93.03423	3.6
95.05041	2.2
98.21989	18.0
99.00933	4.8
99.04532	3.7
101.02460	11.2
109.06585	5.0
113.02435	5.5
119.05047	5.8
123.08160	2.7
125.02470	3.9
125.09708	5.1
126.26760	2.0
141.12909	2.1
147.04465	3.2
162.02850	2.5
163.03970	4.3
163.11299	9.3
167.10782	4.1
171.10297	32.2
181.12367	3.7
185.11839	47.8
191.05621	6.6
191.10782	4.1
197.11893	15.4
199.09756	3.4
199.13330	3.2
201.11337	29.8
207.10284	9.4
209.11850	100.0
210.12180	10.2
211.13499	2.6
217.98523	2.1
225.11273	17.8
227.12877	15.1
229.28680	2.9
235.08260	7.2
246.33089	2.3
253.09438	11.2
291.19733	4.8
309.20682	15.4
310.21024	2.8
397.13315	2.6
464.42325	2.2
482.21854	2.6
507.32928	2.3
518.78119	2.2
534.73267	2.8
599.81970	2.3
615.78125	2.5
675.32428	61.8
676.32605	11.4
707.35858	21.0
708.35358	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.8
59.01387	11.1
61.98839	18.7
68.99823	1.0
71.01390	63.2
71.32239	2.7
73.02957	3.1
81.03467	2.0
83.05043	4.7
84.02142	1.3
85.02995	3.0
87.00899	2.7
87.04550	1.1
88.08022	1.1
88.98830	2.7
89.02446	5.7
95.05061	1.0
97.02969	2.0
99.00899	3.0
101.02456	6.3
101.11910	1.4
109.06610	4.5
113.02445	2.0
116.92908	1.1
119.03518	1.9
125.02464	1.7
125.09750	3.1
125.76085	1.1
127.11305	3.1
137.02481	2.0
145.05110	1.2
155.10747	1.6
163.11310	8.3
165.12863	2.1
168.46315	1.2
171.08800	2.5
171.10281	52.2
172.10667	3.7
181.12367	4.6
185.11916	1.7
197.11920	1.8
199.09708	6.4
199.13390	4.2
201.11334	34.7
202.11665	1.9
207.10304	14.9
209.11848	100.0
210.12154	9.6
215.12918	2.7
225.11322	19.8
227.12929	14.1
228.13235	1.8
235.08301	4.0
243.12552	2.6
253.09299	11.2
362.10178	1.1
437.20731	1.2
461.20486	4.5
689.34521	2.8
707.34937	13.9
708.35529	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87894	1.0
57.03454	2.4
58.00606	2.2
59.01385	32.7
61.98838	44.8
63.70503	1.1
64.70309	1.1
69.01133	3.0
69.01532	10.3
69.03438	1.8
71.01032	2.1
71.01386	25.5
72.99306	3.0
73.02946	3.3
75.28101	1.1
83.01398	2.9
85.02975	5.9
87.00879	5.0
89.02454	24.6
95.01405	1.7
95.05026	1.7
96.96013	5.8
97.02972	4.1
99.00864	1.7
99.04524	5.2
101.02457	22.5
111.04559	1.5
111.08167	11.0
111.36388	1.3
113.02465	11.7
119.03506	9.4
121.02969	4.0
123.04469	1.4
125.02461	9.5
131.03543	2.6
143.03513	5.1
149.09753	1.9
160.84218	2.7
161.04517	3.2
167.10791	1.8
177.12866	1.7
179.05617	4.7
179.10782	1.9
191.05573	3.4
195.13969	8.2
199.57004	1.1
202.86737	1.3
209.11836	2.6
221.06641	1.7
235.08228	5.9
247.20612	2.5
248.20728	1.2
253.09259	1.5
273.18564	2.5
291.19675	100.0
292.17563	1.3
292.20090	13.0
309.20578	1.5
339.08554	1.8
385.12653	1.8
397.13461	14.5
415.14655	14.0
429.55829	1.2
483.20334	3.9
502.32816	2.1
503.33798	2.1
509.35037	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.35
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
58.00606	1.4
59.01384	9.8
61.98837	20.6
65.79154	1.0
71.01387	58.7
72.01671	1.5
73.02953	3.3
80.02629	1.1
81.03456	1.9
83.05040	5.2
84.02171	1.5
85.02950	3.1
87.00864	1.8
89.02460	3.4
95.05054	1.2
97.02973	2.5
97.06541	1.1
98.22633	1.5
99.00890	1.8
101.02461	5.5
109.06639	5.5
113.02460	2.9
116.92847	1.1
119.03559	1.6
125.02433	1.3
125.06149	1.3
125.09719	3.4
127.11286	3.4
142.13930	1.0
145.05038	1.3
158.58231	1.3
161.04590	2.3
163.11305	5.5
165.09183	1.2
165.12888	2.3
171.10275	53.8
172.10661	2.6
177.09261	1.2
181.12422	2.8
185.11823	1.8
191.10971	1.2
193.08716	2.2
197.11836	2.1
199.09782	5.7
199.13490	1.7
201.11345	35.9
202.11780	2.3
207.10280	14.6
209.11847	100.0
210.12141	7.2
215.12868	1.7
225.11327	21.2
226.11729	1.9
227.12862	11.3
228.13252	1.5
229.53662	2.1
235.08267	4.3
243.12387	3.2
249.14076	1.2
253.09308	12.7
461.20404	3.9
462.20963	1.2
545.30267	1.2
671.33984	2.1
672.33881	1.5
689.33551	3.5
707.35156	15.3
708.34875	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01334	12.8
65.59219	11.7
78.95918	73.8
98.02728	10.8
98.21763	36.1
111.54480	13.5
117.21265	11.9
152.99586	100.0
207.10307	22.6
225.11293	67.6
227.03186	15.3
229.03268	19.1
253.21828	30.1
409.28232	14.5
453.15314	80.7
471.16571	62.2
689.36755	77.4
707.37897	83.8
708.37286	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
67.47186	5.7
78.95909	63.3
98.22637	11.6
109.06613	23.7
114.88327	6.3
152.99605	69.7
163.11322	9.1
171.00691	8.8
182.24771	5.6
207.10269	43.2
220.27565	6.9
225.11314	36.0
229.20871	8.6
253.21783	14.0
267.21368	7.7
453.15338	100.0
471.15808	7.9
474.29044	7.0
485.42798	6.8
707.37427	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47943	0.2
54.75015	0.3
59.01383	17.8
61.98836	0.4
71.01390	1.3
78.95895	0.6
85.02935	0.6
87.71339	0.2
89.02448	0.7
94.00137	0.2
95.01352	0.3
101.02471	0.9
112.98586	0.2
113.02457	1.3
119.03455	0.3
125.18633	0.2
128.16310	0.2
161.04558	0.5
171.10295	0.3
182.15982	0.2
209.11806	0.3
310.71860	0.3
328.61981	0.3
363.30478	0.3
379.34302	0.3
397.34344	0.4
406.75925	0.2
423.32782	3.2
424.32880	0.8
441.33932	2.3
442.33780	0.7
449.30652	0.6
467.31470	1.0
485.32736	100.0
486.33102	20.6
499.34229	0.8
527.33594	1.2
527.65778	0.3
647.38116	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.402
Annotation	CHEBI:69158
Peak:m/z	Relative Intensity
50.59235	0.7
52.99655	0.6
57.03452	2.1
59.01385	10.0
61.98567	0.7
61.98843	9.7
62.00359	0.6
63.15177	0.7
66.83781	0.7
69.55459	2.7
69.55868	1.8
71.01375	2.1
71.91186	0.7
78.95886	1.5
84.21341	0.7
85.02947	1.0
89.02432	1.0
99.04533	6.2
101.02494	1.1
113.15511	0.6
152.99548	0.8
161.04575	0.9
162.83919	0.9
164.04677	0.7
184.63924	0.8
209.11888	1.9
223.13307	1.1
225.11485	0.8
227.12643	0.8
383.29510	1.4
403.28793	1.0
441.33951	1.6
467.31598	11.8
468.32080	2.4
485.32825	20.6
486.33286	3.8
503.34216	0.9
509.34125	1.5
527.33887	2.9
545.34869	100.0
546.35217	20.5
587.35718	2.4
707.40295	5.1
708.39838	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59235	0.7
52.99655	0.6
57.03452	2.1
59.01385	10.0
61.98567	0.7
61.98843	9.7
62.00359	0.6
63.15177	0.7
66.83781	0.7
69.55459	2.7
69.55868	1.8
71.01375	2.1
71.91186	0.7
78.95886	1.5
84.21341	0.7
85.02947	1.0
89.02432	1.0
99.04533	6.2
101.02494	1.1
113.15511	0.6
152.99548	0.8
161.04575	0.9
162.83919	0.9
164.04677	0.7
184.63924	0.8
209.11888	1.9
223.13307	1.1
225.11485	0.8
227.12643	0.8
383.29510	1.4
403.28793	1.0
441.33951	1.6
467.31598	11.8
468.32080	2.4
485.32825	20.6
486.33286	3.8
503.34216	0.9
509.34125	1.5
527.33887	2.9
545.34869	100.0
546.35217	20.5
587.35718	2.4
707.40295	5.1
708.39838	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04752	0.6
57.91233	0.6
59.01377	3.3
61.98835	6.0
69.03451	1.6
71.01378	2.1
71.05034	0.6
76.96248	0.6
83.01409	0.7
83.05045	0.6
89.02454	1.1
101.02457	1.8
113.02455	1.5
119.03510	0.8
126.63764	0.6
127.40190	0.6
130.00386	0.6
143.03537	0.5
143.97963	0.5
145.09200	0.6
159.84290	0.6
161.04584	0.6
167.10767	2.1
179.10818	0.9
179.14432	3.3
195.12254	0.9
195.13922	9.5
196.14240	0.6
197.11887	0.7
205.12334	9.4
206.12723	0.8
223.13405	100.0
224.13750	8.2
235.08194	2.4
242.80518	0.6
253.09256	4.4
275.33603	0.6
276.17102	0.6
277.79559	0.6
411.25537	1.0
441.21313	2.6
459.22360	14.8
460.22589	2.3
647.34149	1.2
648.33844	0.6
665.35876	2.6
666.36023	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19558	0.3
59.01408	0.5
61.98837	100.0
66.38347	0.3
71.47516	0.4
101.77290	0.4
103.21777	0.3
140.23717	0.3
192.58586	0.3
206.29671	0.3
258.20007	0.4
261.28729	0.4
269.31064	0.4
275.25793	0.4
285.14941	0.3
343.00760	0.4
351.54886	0.4
485.33072	0.6
486.33353	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27485	0.7
55.28333	0.7
55.58026	0.7
57.87636	0.7
58.24669	0.7
64.32088	0.8
65.00340	1.2
69.28014	5.7
78.28705	0.8
81.36065	0.9
82.43663	0.8
82.56306	0.8
84.18793	0.7
100.85558	0.7
101.85413	0.7
107.01387	2.5
109.02982	0.9
116.92928	1.1
124.01668	2.7
125.02480	1.0
135.00812	0.8
137.02461	2.2
138.33459	0.8
143.70612	0.8
151.00369	6.4
152.01248	1.3
161.02544	1.0
162.88263	0.8
163.00404	1.2
164.01181	2.8
169.01416	1.3
173.00896	0.7
174.03172	0.9
178.99893	8.9
203.03508	1.5
214.02747	8.6
215.03386	1.5
227.03458	1.3
231.02940	1.4
242.02176	5.6
243.02974	5.5
257.04477	0.8
259.02475	9.5
270.01721	8.0
271.00146	0.6
271.02490	50.1
272.02890	4.0
287.02011	27.8
288.02615	4.1
316.02249	100.0
317.02792	18.9
665.52875	1.0
667.15271	22.3
668.15320	4.0
709.16260	45.5
710.16418	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67487	1.2
57.03464	1.9
59.01136	1.5
59.01385	18.4
67.18937	1.2
68.56719	1.1
69.03497	8.9
69.03919	4.0
71.01377	6.2
73.02943	1.4
83.01381	1.4
83.05025	2.0
85.02961	10.4
87.00887	9.7
89.02444	1.5
89.54015	1.1
93.03461	11.2
109.02970	9.0
111.04514	5.1
115.00385	12.5
123.04528	3.7
125.02468	5.8
126.02784	2.0
127.04041	3.2
135.04538	3.8
137.02457	3.0
139.00369	1.5
149.06090	1.2
151.04034	2.2
155.03481	3.5
155.10797	2.5
167.03467	6.9
173.04573	21.1
175.02486	23.0
175.07579	1.4
176.02803	1.6
185.06049	3.8
187.07597	2.4
191.05626	100.0
192.05966	3.6
198.06937	2.5
199.07617	2.3
201.09203	2.4
209.04811	1.3
211.04019	1.6
211.07619	3.9
213.09222	43.9
214.09734	4.5
227.10730	2.1
229.12350	20.4
230.12671	1.6
237.09190	3.9
239.07138	15.2
240.07744	3.6
255.10339	9.2
257.08148	3.3
260.09961	1.3
273.11356	13.0
299.09241	21.5
300.09659	1.4
303.01016	1.4
317.10287	15.4
329.08722	3.4
343.08163	4.3
357.13516	2.1
361.09262	3.8
379.15903	2.6
444.60773	1.4
491.15765	4.0
517.13458	16.1
518.13867	2.0
522.88092	1.6
535.14551	19.3
536.15039	4.3
544.03876	1.3
709.19818	50.1
710.19922	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20055	1.4
59.01378	1.7
62.77310	1.5
69.99715	1.6
71.29136	1.7
71.29533	1.5
83.05023	2.2
116.92935	1.4
121.02949	6.2
125.02458	5.0
145.87228	1.5
159.53516	1.6
160.84238	2.6
162.83954	4.5
164.83592	2.1
165.01955	4.6
176.21414	1.7
206.72144	1.5
209.11836	100.0
210.12117	7.4
227.12894	25.9
228.13278	1.6
253.09323	6.0
276.24545	1.7
342.87039	1.7
445.20779	6.7
637.32355	1.7
709.32269	15.1
710.32263	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90799	3.7
53.69937	3.3
59.01366	6.5
61.98835	100.0
69.35796	3.9
71.01365	5.5
98.22541	8.6
113.02431	4.7
116.92879	6.7
144.36664	4.1
183.13914	21.5
197.11839	11.5
199.09766	7.4
207.10236	5.0
209.11879	13.9
211.13486	31.9
211.15289	7.2
223.13383	9.9
227.12921	10.0
235.08250	4.7
253.09459	5.2
293.21280	12.1
447.55539	4.5
484.67862	4.3
619.63574	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24981	0.5
55.01875	0.5
55.35171	0.5
57.03444	0.9
58.00597	1.6
59.01382	40.9
60.01725	0.5
70.36976	1.1
70.37306	1.0
70.42089	0.5
71.01388	20.9
72.99304	1.7
73.02951	1.0
83.01393	1.5
85.02960	4.2
87.00903	1.1
89.02451	20.9
90.02783	0.8
95.01408	1.9
99.00901	0.6
101.02449	14.9
113.02466	8.4
113.09717	0.9
115.00436	0.7
119.03510	10.2
128.49513	0.5
131.03551	0.6
141.09265	2.3
143.03403	0.5
146.53714	0.5
159.10254	1.7
175.02512	1.7
179.05608	1.3
179.10753	0.5
181.26942	0.5
191.05649	1.3
223.09808	0.6
239.63525	0.5
266.25339	0.5
321.15558	100.0
322.15894	9.7
400.58292	0.5
471.44766	0.5
527.66864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11921	2.7
56.73221	2.3
57.61530	2.3
59.01374	9.6
61.98830	9.8
99.04508	4.7
146.53810	2.5
149.79485	2.4
160.31950	2.4
171.10269	4.4
181.89632	2.3
185.11815	2.8
197.02296	14.1
214.43959	2.4
235.07634	2.5
277.21912	11.5
342.35693	2.2
451.32080	31.4
452.32437	9.5
511.34323	100.0
512.34790	22.0
709.36926	15.4
710.37506	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27361	3.3
69.07768	25.0
71.01379	9.0
78.98596	6.3
79.95741	9.7
80.96523	82.6
82.89812	3.1
94.26810	3.3
94.98088	19.1
102.04160	3.3
106.98058	4.2
117.97913	3.9
134.97598	6.3
140.23520	3.2
141.76048	3.3
148.99136	6.9
164.98584	11.4
225.00714	20.4
234.83443	3.3
279.23349	8.2
346.12439	3.4
408.79791	3.4
445.23691	3.9
455.25238	3.8
520.69153	3.4
709.38348	100.0
710.38861	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3936
Annotation	Myrtucommulone H
Peak:m/z	Relative Intensity
52.13923	2.0
55.95068	2.0
58.45467	2.2
59.01382	4.5
70.83482	2.2
70.83803	4.2
71.01376	4.2
78.95912	28.1
89.02462	3.6
93.93394	2.0
93.94254	2.0
94.31201	2.1
96.96946	2.6
100.10023	1.9
101.02451	4.2
111.04908	2.1
125.09758	2.9
127.11294	3.3
151.11308	5.8
152.99603	50.7
154.13490	2.2
169.12349	65.1
170.12679	4.8
171.00710	4.6
171.10262	13.0
201.11354	50.8
202.11775	2.7
209.11829	53.6
209.13753	3.5
210.12143	4.1
213.11316	8.1
227.03259	3.1
227.12868	5.7
253.21788	8.4
277.21735	27.9
301.63043	2.2
359.78528	2.4
381.13214	3.5
408.43762	2.3
449.20453	3.3
455.17084	10.0
473.18018	40.1
474.18262	3.6
520.29761	2.6
520.37640	2.7
527.14063	2.7
691.38556	9.2
709.40338	100.0
710.40881	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50112	0.9
57.03463	1.9
59.01378	4.4
69.14697	2.5
69.15106	7.1
71.01396	4.9
78.95895	9.6
81.03462	1.2
82.55019	1.0
83.05045	2.0
89.02469	3.3
97.06573	1.7
101.02464	2.3
111.87608	1.2
113.02442	1.8
113.24851	1.0
119.03533	1.2
151.11314	9.9
152.99594	18.5
161.04564	1.1
163.11382	1.4
169.12357	87.2
170.12701	5.7
171.00673	2.0
171.10289	5.4
195.10281	2.8
201.11328	17.7
209.11835	17.6
210.12308	1.3
212.77545	1.1
213.11317	12.4
227.03256	1.5
227.12872	1.5
253.09402	3.3
253.21783	4.8
277.21750	25.5
278.22134	2.9
303.57962	1.1
413.47763	1.1
429.15775	1.4
431.19308	4.0
437.15491	1.1
449.20251	9.6
455.16824	4.2
473.17941	19.7
474.18369	2.0
592.91357	1.2
691.38507	4.6
709.41254	100.0
710.41431	27.8
726.32996	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.418
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66339	1.6
57.03444	3.2
59.01386	8.1
67.88196	1.4
69.12656	12.7
71.01394	6.4
78.95912	15.6
83.05034	2.2
87.00871	2.4
89.02449	3.1
90.90849	1.4
90.91423	1.6
91.39632	1.5
95.05023	1.7
97.06596	7.2
101.02474	5.7
106.34885	1.4
113.02479	3.3
116.83815	1.3
127.11330	2.4
151.11287	22.8
152.99614	22.2
161.04642	2.1
168.01280	1.6
169.12355	72.0
170.12711	4.7
171.00716	3.1
171.10338	6.8
195.10313	5.6
201.11343	24.6
209.11853	25.1
210.12138	2.2
213.11218	9.3
227.03430	1.5
227.13051	2.4
235.08263	1.9
253.09335	3.9
253.21703	4.2
272.28564	1.4
274.49753	1.6
277.21747	78.0
277.47189	1.7
278.22055	8.0
307.29099	1.5
328.30893	1.5
431.19290	3.5
441.69843	1.5
449.20499	4.7
455.17096	4.3
473.17926	15.2
474.17920	2.4
533.42853	1.5
691.38867	3.6
709.41376	100.0
710.41644	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
61.98832	100.0
62.98527	0.3
67.81475	0.2
68.53807	0.2
70.83125	0.4
74.41280	0.2
77.22378	0.2
93.71942	0.2
101.12585	0.2
109.02981	0.2
110.77581	0.3
123.04552	0.5
125.02464	0.5
137.02502	0.8
151.04019	0.2
167.03462	0.2
177.88483	0.2
289.07230	1.2
357.13528	0.2
373.15515	0.3
380.25000	0.2
404.18042	0.3
405.18274	0.3
451.10422	0.3
480.45752	0.2
486.22516	0.2
487.23102	0.2
488.23315	0.3
541.19312	0.5
559.19849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02906	0.6
56.73124	0.6
61.98835	100.0
96.96021	0.7
158.18613	0.7
178.79771	0.7
223.80823	0.8
239.47585	0.9
406.74973	0.8
421.99231	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40912	4.1
61.98815	10.0
86.48926	4.4
128.33665	4.1
138.72282	4.3
171.10268	100.0
172.10498	5.3
245.85167	4.7
255.23227	6.2
264.27335	5.8
277.21722	57.3
278.22028	5.9
666.15631	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
60.53790	5.8
61.98830	12.8
65.61272	6.6
66.36094	5.5
71.08227	8.9
78.56386	5.4
94.26392	6.2
171.10303	79.2
253.09303	8.3
273.55515	5.9
277.21704	100.0
278.22025	8.1
280.99823	5.8
356.01718	6.7
712.58057	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44314	0.7
59.01384	1.7
69.57628	1.7
69.58040	2.8
70.21137	0.6
71.01374	1.0
83.62844	0.7
85.02959	2.3
89.02487	0.9
93.03479	2.8
96.96019	0.9
98.21861	1.5
109.02970	1.2
111.04556	1.1
118.05682	0.9
119.05038	95.4
120.05413	4.8
121.02950	1.5
123.04558	1.4
125.02486	1.7
134.03758	2.6
137.02396	0.9
149.02489	4.1
151.04033	1.0
156.78645	0.8
161.02396	1.1
163.04019	100.0
164.04460	6.1
167.03403	0.7
191.05618	10.7
193.05026	1.5
195.05252	0.8
208.03868	2.0
210.23845	0.7
223.06145	6.2
289.07199	5.2
307.13959	0.8
325.09326	7.4
326.09467	1.3
373.95056	0.7
519.15186	0.9
711.21710	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48161	9.5
69.93188	1.8
71.01381	8.3
78.47939	1.5
85.02943	2.6
93.03439	3.3
108.02203	5.5
109.02969	6.2
115.00396	1.7
119.05019	3.4
123.04543	1.8
125.02471	3.3
131.07671	2.1
133.02972	2.6
134.03751	60.9
135.04083	2.7
137.02454	6.6
147.04575	12.1
148.05331	25.9
149.06108	13.8
159.04527	3.8
160.05316	2.3
160.72633	1.9
161.06140	7.3
163.04041	2.6
175.07593	2.9
178.02763	16.0
185.54773	2.2
191.05568	12.8
193.05057	46.9
194.05397	3.1
207.06613	19.4
213.05586	4.4
223.06163	2.5
235.31313	1.7
240.04376	5.9
241.05072	48.7
242.05409	3.9
243.03276	1.9
255.06667	10.5
256.07434	42.4
257.07794	3.2
269.08173	3.1
270.08948	10.7
271.09799	89.9
272.09961	9.6
283.09702	4.0
284.10529	10.4
289.07315	5.0
299.12991	18.0
300.13293	2.7
343.11914	31.7
344.12225	3.6
505.17734	3.3
586.67908	2.0
596.20477	2.1
711.21466	100.0
712.21606	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70202	0.4
59.01378	0.3
59.98051	0.3
61.98824	0.4
67.89568	0.3
69.01652	2.0
69.02077	1.0
74.38997	0.5
77.03986	0.3
89.03967	1.4
93.03422	0.5
95.05019	0.7
105.03484	2.5
106.04272	0.5
114.45043	0.3
117.03497	2.8
119.05057	1.3
121.02934	1.6
123.04566	0.4
132.02193	2.6
133.01945	0.5
133.02969	16.7
134.03757	69.6
135.04599	9.7
137.02451	8.6
138.02791	0.4
139.04010	3.1
145.02960	1.4
146.03658	0.4
147.04533	1.5
148.05310	1.1
149.04906	0.7
149.06093	13.2
150.03209	1.0
150.06454	0.6
160.01677	8.8
161.02473	8.4
161.06143	2.0
162.02969	0.6
169.93935	0.4
175.04010	16.4
176.04358	0.6
177.01923	1.1
178.02730	26.2
179.03471	7.3
187.06113	0.3
191.03459	0.6
193.05070	98.2
194.02327	0.5
194.05383	4.8
205.05052	0.5
207.06709	1.1
211.25381	0.4
264.08005	0.5
265.05179	0.5
265.08713	1.3
266.05927	0.8
277.08704	0.5
280.07346	0.7
292.07401	0.8
293.08179	2.2
294.08902	1.8
295.09589	0.7
307.09769	0.7
308.10291	0.5
309.11386	0.5
310.08362	0.4
311.09302	1.9
325.10855	1.1
326.11618	3.4
327.12369	0.4
329.08405	0.3
339.12375	0.6
341.14035	1.2
342.08667	0.3
397.13547	0.7
443.62292	0.3
459.14349	0.4
469.12921	0.7
471.14508	0.5
472.11395	0.7
473.16385	0.5
484.15610	0.4
487.14063	8.0
488.14313	1.8
501.15689	0.8
502.16431	7.8
502.23120	0.3
503.16791	2.2
517.18695	100.0
518.19037	18.8
609.50391	0.4
611.51093	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.1
57.03444	5.0
58.00591	4.4
58.91854	1.4
59.01091	3.1
59.01385	57.9
61.98837	2.5
68.98641	11.7
68.99052	3.5
71.00983	3.0
71.01384	62.4
72.99323	4.1
73.02952	11.8
81.77553	1.6
83.01383	6.0
85.02956	22.4
87.00882	4.0
89.02447	36.9
95.01400	3.9
99.00884	4.7
101.02447	33.9
101.38879	1.4
101.41103	1.6
111.00816	1.7
113.02451	18.3
119.03496	10.6
125.02477	3.0
131.03485	7.7
134.89485	21.7
135.89479	1.7
143.03517	3.9
149.04590	5.1
155.15631	1.6
159.03052	4.3
161.04585	15.5
174.06856	1.5
179.05649	2.1
189.14296	1.7
191.05659	2.8
232.69736	1.9
281.11807	2.2
309.11404	4.2
357.13367	9.5
489.17679	5.9
516.47150	2.1
519.18848	17.5
520.19104	3.5
651.22986	100.0
652.13232	2.6
652.23291	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.6
59.01374	2.5
69.03448	1.0
69.36449	5.3
71.01386	1.7
73.06425	0.6
78.57586	0.7
79.32088	0.6
81.03480	3.7
83.01402	4.3
83.05038	0.8
85.02949	1.5
87.00887	0.7
89.02440	1.8
93.03471	4.6
95.05028	4.2
97.02952	6.1
98.03770	1.0
101.02434	1.4
107.05027	0.7
108.02169	1.5
109.02959	27.4
110.03286	1.1
112.68078	0.8
121.02952	3.0
122.03726	1.7
123.04537	16.6
125.02467	18.7
126.02779	1.0
133.02972	2.0
134.03729	1.3
135.04572	3.6
137.02463	11.3
138.03282	1.5
139.04027	4.9
141.09241	1.6
143.10741	0.9
145.03003	1.3
146.03766	1.5
147.04570	1.0
149.02498	4.9
149.06194	0.8
150.03238	1.5
151.04022	9.1
153.35091	0.8
159.04558	3.8
160.05246	1.6
161.02446	2.7
161.06093	5.5
162.03244	1.0
163.04080	1.2
164.01160	3.6
165.01978	4.7
167.03502	1.9
173.04579	1.2
173.06036	0.9
175.04012	2.2
175.07712	1.9
177.05646	1.0
178.02873	0.9
179.03493	6.5
179.10818	0.9
185.06093	0.8
187.04031	4.4
188.04724	4.0
189.01923	2.3
191.05661	9.1
192.05977	1.3
193.04953	1.5
201.05582	1.5
202.06335	2.4
203.07161	15.0
204.07440	1.1
205.05084	8.4
221.08246	3.6
227.07207	1.9
228.07660	0.8
229.05028	0.9
245.08211	18.9
246.08492	1.4
247.06053	1.1
259.15540	1.0
289.07199	100.0
290.07547	10.5
293.12350	1.7
317.05063	0.9
341.06570	1.6
393.36053	0.8
405.94492	0.8
421.20883	7.5
422.20905	1.4
716.06250	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	34.4
61.98834	80.4
65.33000	7.7
69.02283	100.0
71.01397	10.2
75.80889	7.5
81.68631	7.3
88.14198	9.1
197.11847	67.5
209.11897	63.6
211.13480	14.9
217.00272	35.4
227.12827	22.8
253.09430	10.2
289.07373	17.2
333.23270	8.0
433.20914	11.1
607.85529	8.8
711.33527	34.8
712.34406	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44509	3.7
54.96622	3.7
61.98836	15.5
62.33225	4.1
69.07426	43.2
71.01367	4.2
88.47797	4.0
91.76138	4.0
125.02471	7.8
144.20685	4.8
177.70297	4.4
197.11839	83.2
198.12120	7.8
201.94121	5.3
209.11850	100.0
210.12219	10.7
211.13333	9.5
214.76357	5.1
227.12909	25.3
235.08218	5.8
253.09320	7.3
289.07272	8.1
417.98743	5.3
433.20901	15.8
445.20853	10.3
541.18811	5.6
608.89502	4.9
625.31500	5.2
711.33929	33.3
712.33545	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.9
57.44576	0.9
59.01365	2.6
60.25705	0.9
61.98819	2.6
69.03436	1.3
71.01395	5.1
71.04984	1.4
71.32226	1.9
83.01389	1.3
83.05049	2.0
85.02958	1.3
88.98813	1.1
89.02467	1.8
90.87751	0.9
95.05022	1.7
97.02960	11.5
97.06602	1.0
105.07117	2.8
107.05056	2.2
108.05844	5.6
109.02937	6.0
109.06628	2.3
111.04547	8.0
111.08199	2.0
113.06097	11.6
116.92900	1.5
119.08702	2.8
121.06606	2.2
122.03759	7.6
123.04571	2.3
123.08181	7.7
125.02454	2.1
125.06101	12.3
135.08171	1.8
136.05330	10.4
137.06102	4.4
137.09723	1.3
138.06876	14.7
139.07669	33.0
139.08748	1.8
140.08031	1.6
146.95668	1.0
148.05331	3.8
149.06093	3.4
151.07660	65.9
152.04790	7.5
152.08464	27.2
153.09258	14.0
159.11797	2.0
161.09726	5.1
162.10101	1.1
163.07655	7.0
167.07109	3.6
167.91496	0.9
177.12737	1.0
179.07277	1.0
186.10573	1.3
188.08511	1.2
189.09238	3.2
191.05641	1.0
201.12865	17.8
202.13286	1.4
203.10797	9.7
204.11562	37.1
205.11928	2.2
219.13914	60.2
220.14305	7.1
263.12906	100.0
264.13220	6.8
270.52744	1.0
289.07278	1.5
424.33945	1.0
549.30475	1.2
611.36450	1.0
711.35846	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.225
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26752	0.4
60.19407	0.4
61.98835	100.0
99.04398	0.5
133.03029	0.5
134.03789	1.9
135.04576	1.0
142.43567	0.4
158.66576	0.5
160.01736	0.9
193.05122	0.9
236.49899	0.5
269.88269	0.5
313.59235	0.5
699.92517	0.6
713.26025	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.5
61.98838	2.8
109.03114	2.5
121.02961	20.9
125.02517	2.5
128.88438	1.9
137.02446	3.9
161.02377	2.5
185.71518	2.2
289.07443	3.0
327.05161	8.3
328.05774	2.1
330.60281	2.3
342.07422	4.6
357.09781	16.7
358.10416	5.7
431.11588	2.1
441.95422	2.2
477.15564	6.7
492.17657	7.9
507.20300	100.0
508.20752	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90625	0.9
59.01379	3.5
61.98833	10.6
69.03383	3.6
69.03787	8.4
71.01383	3.5
80.02677	1.0
81.03475	1.1
83.05018	4.7
89.02470	2.3
95.04983	1.1
96.53610	0.9
101.02460	2.3
109.06541	1.1
113.02463	1.2
121.74192	1.0
125.02487	1.4
125.09769	1.2
161.04607	1.8
163.11317	3.9
165.12875	2.1
167.10806	1.4
171.10310	2.0
195.13904	4.0
205.12354	4.7
209.11858	100.0
210.12218	7.0
223.13417	50.3
224.13693	4.4
227.12923	16.3
228.13391	1.2
235.08128	1.6
253.09265	9.6
267.53488	1.1
389.95782	1.1
441.21356	1.6
445.20816	2.4
459.22324	3.5
568.36322	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92057	0.4
57.03455	0.9
61.98834	100.0
63.83738	0.3
69.06985	2.7
77.21594	0.3
89.02458	0.4
92.91061	0.3
111.48801	0.3
113.02479	0.5
116.92923	0.4
119.03491	0.3
126.53844	0.4
145.63023	0.4
146.81897	0.4
147.96713	0.3
152.11786	0.4
180.75038	0.3
199.09848	0.5
241.86566	0.3
293.21429	0.4
311.38193	0.4
322.77841	0.4
373.34900	0.4
385.88617	0.3
443.35333	6.6
444.36133	1.2
466.44000	0.3
469.33298	1.4
487.34323	31.1
488.34668	5.9
638.92603	0.3
649.39600	9.8
650.39996	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.537
Annotation	Pinelloside
Peak:m/z	Relative Intensity
50.33121	0.6
55.01873	1.2
56.61861	0.5
57.03449	2.5
58.00599	5.2
58.74380	0.6
59.01383	100.0
60.01698	0.8
69.03449	1.4
71.01386	60.8
72.01739	1.3
72.99316	5.2
73.02966	1.5
81.89899	0.7
83.01408	3.4
84.02207	0.7
85.02960	11.4
86.06138	0.9
87.00871	3.8
89.02451	72.1
89.68085	0.6
89.73245	0.6
90.02782	1.2
95.01396	3.5
98.22530	1.9
101.02451	38.5
112.07703	1.3
113.02459	20.3
119.03511	41.5
120.03898	1.1
122.05348	0.6
131.03519	4.1
143.03517	6.3
149.04578	3.0
158.70113	0.6
161.04582	6.2
161.55850	0.6
175.59013	0.7
179.05621	15.7
219.41739	0.6
223.20737	0.8
224.21556	0.7
225.22240	11.4
225.24368	0.7
226.22696	1.2
237.22279	1.7
253.21828	2.9
254.15987	0.8
270.24463	1.0
271.22714	5.5
276.23489	1.1
278.24973	4.3
296.26025	4.9
306.24435	1.6
324.25305	0.9
514.46948	0.8
532.47388	43.1
533.40112	0.5
533.47778	11.3
550.48486	17.4
551.49060	4.7
712.53741	36.4
713.54034	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55367	0.7
57.03446	0.9
60.99312	16.9
62.12778	0.7
62.64187	0.7
66.76890	0.9
69.92764	0.7
71.01348	0.7
88.98813	100.0
89.99152	1.1
108.88007	0.7
109.65452	0.7
116.92874	3.4
123.04557	0.9
125.02467	3.8
134.21144	0.7
151.04051	0.9
155.26117	0.8
215.03540	0.9
243.03024	2.9
255.03093	1.0
256.74307	0.7
271.02512	4.6
285.04047	0.9
289.07297	2.3
299.01947	6.2
300.02640	2.2
314.04337	8.9
315.05072	5.3
354.03140	0.7
443.18927	0.8
623.16254	22.2
624.16479	4.3
713.37610	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.9
58.00583	2.4
59.01388	74.8
66.83319	1.8
71.01388	49.0
72.99303	4.4
79.74481	2.0
79.83923	1.7
83.01422	1.8
85.02968	12.6
87.00861	3.5
89.02451	65.1
93.03454	1.9
95.01406	4.8
101.02457	25.0
113.02464	18.7
119.03513	30.3
119.04940	2.3
121.03011	2.4
125.02473	2.0
131.03485	3.4
132.14926	2.1
135.04585	2.3
143.03491	6.9
147.04538	100.0
148.04875	4.9
149.02425	12.7
149.04504	4.5
161.04541	7.9
163.03976	3.0
164.04770	9.0
179.05649	26.0
179.07085	3.5
191.05602	7.9
193.01413	6.6
208.03770	11.7
223.06128	30.7
231.93622	1.6
327.07358	3.1
327.10889	39.3
328.11136	3.9
331.98413	1.8
385.11343	3.2
431.23636	1.8
442.26575	2.0
669.36664	2.5
713.17950	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10852	1.0
57.03452	1.3
58.00591	4.1
59.01384	87.7
69.37592	2.9
69.37996	4.2
71.01388	49.0
72.01710	1.3
72.99310	5.3
73.02945	1.5
83.01389	2.6
85.02964	9.2
87.00887	3.8
89.02452	70.0
95.01398	1.9
101.02450	27.2
113.02462	21.4
114.91386	1.1
115.88764	1.1
119.03515	28.4
125.02471	2.2
128.82201	1.0
131.03514	4.4
131.29688	1.1
143.03511	5.1
145.07018	1.1
147.04538	100.0
148.04890	5.6
149.02475	1.5
149.04539	2.1
161.04570	7.3
179.05617	27.6
191.05704	1.8
208.03754	1.5
223.06172	2.8
224.06444	1.3
252.13324	1.3
327.10880	53.1
328.11032	5.1
339.01321	1.1
558.05591	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01135	5.4
59.01380	58.9
61.98822	8.2
69.03445	6.5
71.01387	47.5
73.02943	5.9
75.50930	5.1
83.01448	6.6
85.02953	10.4
87.00899	9.0
89.02466	42.5
90.12695	5.7
97.02972	7.0
101.02452	24.2
111.61208	5.3
113.02451	19.1
119.03539	13.8
125.02409	14.5
143.03458	14.5
161.04553	6.8
179.05632	8.1
235.08322	9.8
255.23291	99.5
256.23645	10.3
289.07217	7.1
308.19754	4.9
397.13550	100.0
398.13812	12.5
415.14883	30.4
552.49860	6.1
641.78729	5.8
653.37207	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14844	0.4
76.43025	0.5
81.10973	0.4
83.05027	0.7
92.14684	0.5
113.39312	0.5
130.81129	0.5
142.46317	0.5
191.52882	0.5
217.81075	0.5
225.16151	0.6
279.42883	0.5
671.53949	0.6
677.50024	4.0
678.50269	1.2
713.47430	100.0
714.47675	32.8
714.60730	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23682	4.5
59.01384	100.0
61.98832	55.1
69.07848	38.9
72.99305	15.5
82.95412	8.8
85.00457	8.8
85.02979	8.6
86.71569	5.2
88.98798	6.3
93.03470	8.0
98.22528	10.7
99.04532	64.2
103.01499	13.0
108.96298	4.0
125.09698	6.0
134.50801	4.2
137.06071	11.7
137.09840	4.6
171.10219	11.7
173.04562	10.0
173.40639	4.7
175.04056	4.6
178.44734	5.0
190.55290	5.8
191.05632	37.1
197.11818	6.1
207.10191	6.3
209.11827	12.3
493.18674	7.6
493.35825	6.4
501.21100	8.5
511.19815	18.5
529.20599	19.6
571.21967	10.1
671.26636	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80864	4.6
54.08028	5.0
59.01406	25.0
61.98830	21.9
63.63500	5.2
67.21229	5.4
68.99933	21.7
69.00360	26.7
70.63775	5.0
85.02951	6.8
90.79272	5.5
94.94788	4.8
97.02974	15.7
109.46639	4.5
115.04017	100.0
116.04388	6.9
116.50528	5.5
120.03046	4.6
125.02498	6.3
182.48642	4.9
222.64268	4.7
275.87439	4.5
357.06424	5.1
424.40115	6.7
538.48541	5.1
685.26276	11.3
715.27789	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02692	0.9
58.02981	13.5
59.01378	1.0
70.02982	6.0
71.01373	0.8
71.29951	0.6
72.00912	2.6
76.17973	0.4
76.95480	0.5
85.02952	0.8
89.02425	0.5
91.05537	4.3
93.03483	1.5
103.89427	0.5
111.04508	1.5
111.77661	0.6
115.11604	0.5
125.02470	1.7
135.04533	1.9
137.02415	0.7
147.04541	20.6
148.04791	1.4
155.03523	1.4
161.02461	1.2
164.07176	58.1
165.07574	3.4
173.04456	0.6
183.51436	0.6
191.05655	4.5
192.06013	0.6
199.04276	0.7
206.08237	100.0
207.08606	7.1
223.06042	0.7
250.07162	0.6
269.04614	0.7
289.07379	0.6
298.31049	0.6
327.08713	0.8
354.08768	1.2
355.08469	1.9
373.09451	1.7
391.10287	0.8
408.72812	0.6
476.96262	0.6
535.40509	0.6
553.14063	1.1
714.17181	1.5
715.17108	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32631	2.6
55.40868	2.4
59.01394	4.3
59.67612	2.8
61.98835	26.3
71.01411	5.8
78.95894	2.6
80.02701	2.7
83.05033	4.1
89.02452	3.7
97.02952	6.2
98.22533	6.8
99.00896	6.3
109.06590	4.2
117.48512	2.4
119.31266	2.5
125.09671	3.2
141.08470	2.3
159.93465	2.6
163.11281	11.7
171.10312	8.5
179.10915	2.6
181.12424	12.6
187.53694	3.1
191.05524	3.9
197.11794	5.1
207.10274	44.0
209.11844	100.0
210.12192	9.4
225.11356	78.6
226.11652	7.8
227.12938	21.8
235.08414	3.6
243.12372	9.7
253.09236	4.8
280.24847	2.9
461.20337	24.3
462.20740	4.0
572.01831	2.8
653.32263	13.2
654.32404	4.0
671.33044	15.2
672.33142	3.3
677.09637	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.0
61.98826	7.2
69.20290	9.7
69.20699	2.7
71.01395	6.5
73.02960	1.8
81.03487	3.8
83.05032	7.8
85.02948	3.1
89.02436	3.7
97.02968	4.5
98.22415	5.8
101.02461	4.6
109.06588	21.8
113.02489	2.6
120.61990	1.8
121.06564	2.2
121.89066	1.7
126.08586	1.8
135.08173	3.7
142.02748	2.8
163.11299	17.2
165.12906	3.7
171.10262	5.0
173.11761	1.7
181.12334	4.5
185.11859	3.2
189.09288	2.2
191.05600	2.6
207.10275	53.5
208.10570	4.1
209.11852	100.0
210.12177	7.5
225.11322	29.4
226.11801	2.7
227.12863	13.8
235.08328	3.4
237.48737	1.8
247.13176	2.0
253.09308	9.7
265.14420	1.9
303.55539	1.7
327.67300	1.9
399.21704	4.6
417.22818	4.8
428.73999	1.8
443.19153	3.0
461.20218	9.8
514.64917	1.7
517.31567	2.0
635.21423	2.4
635.30768	12.9
653.31677	10.1
671.33069	23.0
672.33221	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01091	2.1
59.01382	35.3
63.43642	1.0
68.78571	1.1
71.01402	1.5
71.31551	1.1
72.61259	1.0
72.99302	3.5
89.02452	1.9
103.05590	1.7
107.01404	2.6
109.02987	1.2
119.05042	6.2
121.02985	3.7
133.02985	2.9
147.04536	79.5
148.04871	4.6
151.00417	10.0
163.00371	1.7
165.05583	72.7
166.05963	2.6
178.99838	4.5
193.04900	1.4
207.06630	44.8
208.06966	2.8
209.04623	1.8
226.02887	1.3
227.03519	1.7
243.02975	7.2
244.66019	1.3
255.02979	16.7
256.03351	1.2
271.02496	39.0
272.02914	4.3
280.59277	1.2
294.20410	1.2
300.02774	77.6
301.03455	35.4
302.03860	2.3
345.32571	1.2
371.83902	1.2
463.08868	100.0
464.09198	14.4
553.32233	4.8
715.37653	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47804	1.3
59.01378	14.3
71.01381	7.0
71.20607	3.1
73.02916	2.0
85.02966	5.3
89.02433	6.9
92.12560	1.3
93.03480	2.5
101.02454	4.9
105.89168	1.3
111.04504	2.9
113.02447	3.6
119.03544	2.2
119.05048	3.0
121.02972	6.2
122.03712	4.1
123.04544	3.6
125.02455	4.3
133.02956	4.2
135.04553	4.6
136.05327	9.2
137.02454	3.0
137.06108	1.6
149.02431	15.4
149.06116	2.7
150.03241	43.4
151.04004	12.9
151.07727	2.1
163.03995	3.6
164.04810	5.7
165.01854	1.6
165.05576	28.5
167.03502	1.8
173.04536	5.6
177.01859	2.8
180.04367	1.7
180.06137	1.5
181.05035	2.9
191.01958	2.5
195.06630	30.9
196.06989	2.3
215.09251	7.3
219.06609	1.5
246.50032	1.6
283.09744	6.3
289.07202	2.7
311.09375	8.4
312.09650	1.6
325.10788	2.7
343.11856	53.5
344.12222	7.0
367.11935	4.8
377.14526	1.8
385.13159	1.7
391.14014	100.0
392.14371	12.8
405.15408	1.6
415.14151	3.8
433.15079	3.3
535.18469	3.7
553.19336	32.1
554.19531	6.0
570.26758	1.6
706.20471	1.6
715.17462	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23426	0.6
59.01385	100.0
60.01718	1.1
65.06011	0.6
70.91566	0.7
71.01369	0.6
71.09540	0.6
87.80228	0.6
93.71950	0.8
99.04527	29.1
103.01504	39.8
104.01919	0.7
137.06119	0.8
215.11436	0.7
229.24767	0.7
301.43655	0.6
461.84421	0.6
495.20779	1.3
513.21722	2.6
514.22211	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24594	2.4
59.01376	3.9
61.98825	10.3
69.07381	21.2
82.64265	2.8
89.79057	2.6
98.21807	5.1
108.02193	3.2
109.02940	5.1
114.81888	3.0
117.02280	2.5
121.02978	17.9
129.11528	2.6
135.04538	4.9
145.02882	6.7
146.03709	6.6
147.04512	5.9
150.03249	4.0
155.41005	3.0
158.03827	5.0
159.04529	5.9
160.05331	4.1
161.02449	3.8
161.06056	3.5
162.03253	4.5
163.04034	6.3
173.06001	6.6
176.12015	3.2
177.05566	8.2
178.06371	3.9
179.07178	4.4
180.04320	4.7
195.06636	12.1
209.05896	3.1
225.05574	3.8
237.05510	4.9
238.06285	5.0
239.07140	4.8
251.07199	2.5
253.05000	3.8
254.05836	10.1
255.06708	6.9
265.08679	4.8
266.05804	5.0
267.06561	10.2
268.07419	7.7
269.08203	14.1
275.07440	3.8
277.08734	3.9
279.06772	4.7
280.07425	5.4
281.08237	12.1
282.08865	7.3
283.09808	8.9
290.08441	2.6
291.06641	5.4
292.07251	7.0
292.10358	2.8
293.08282	18.1
294.08945	11.3
295.06729	2.7
295.09784	11.0
296.10434	5.9
305.08173	11.4
306.08929	5.2
307.09714	7.3
308.10486	10.8
309.11328	18.4
310.11945	6.0
311.09253	6.0
312.09988	3.8
320.10541	6.7
321.10980	6.1
322.08316	3.7
322.11996	4.5
323.09436	6.0
323.13028	10.2
325.10886	5.5
326.11450	6.7
337.10712	7.7
429.13486	5.8
461.16370	4.2
463.17554	5.3
471.14911	3.7
475.17450	4.8
489.15665	4.1
507.20218	45.4
508.20648	11.7
519.20166	44.0
520.20447	10.1
537.21338	10.1
538.21814	3.6
561.20575	3.4
577.18866	5.9
589.18256	4.3
592.20850	7.7
607.21313	3.0
619.23022	4.1
625.24542	48.3
626.24957	7.8
637.24554	100.0
638.25110	23.5
649.24475	24.6
650.24280	8.1
655.25610	14.2
656.25842	3.2
664.23254	7.8
667.25659	87.6
668.25641	28.3
679.25488	83.3
680.26050	23.5
697.25952	4.3
719.09576	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98830	4.6
62.95424	0.6
69.03675	5.4
73.78377	0.7
98.22550	1.3
99.04525	66.9
99.59961	0.6
100.04871	1.4
137.06134	2.1
158.09601	0.8
243.12825	0.7
350.10312	0.7
398.42685	0.7
433.20221	1.0
495.20541	3.3
513.21429	9.5
514.21918	2.1
531.22498	0.8
555.22809	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24162	0.3
54.18836	0.3
59.01385	100.0
60.01723	0.9
61.98845	0.5
71.01395	0.4
83.05062	0.5
91.95837	0.4
92.69599	0.5
95.05057	0.3
97.02975	0.5
99.04530	72.4
100.04861	1.8
109.02960	0.6
125.09756	1.1
137.06108	2.4
143.05026	0.5
187.09727	0.8
223.13380	1.7
273.16995	1.1
339.12302	0.5
340.87430	0.4
371.19949	0.8
389.21466	0.4
415.18866	0.7
433.19739	1.0
451.21063	0.5
477.18793	0.8
495.20322	2.7
513.21295	8.8
514.20947	1.4
531.22467	1.7
532.22369	0.5
613.25824	0.4
615.86713	0.4
715.37994	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	65.5
61.98837	4.4
63.77491	0.5
71.01387	1.0
81.25751	0.5
82.95432	1.6
85.00434	6.3
95.05028	0.6
97.02958	1.1
99.04527	100.0
100.04869	2.6
109.02981	0.9
137.06094	3.5
160.86182	0.6
171.10269	1.0
173.04591	1.0
191.05630	1.3
209.11844	2.4
223.13383	1.1
231.83238	0.6
284.00882	0.5
371.20273	1.0
389.21448	0.7
415.19031	0.9
433.20279	1.0
495.20474	2.8
513.21283	11.0
514.21503	2.1
531.22382	2.6
655.27179	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29636	0.3
57.03460	0.4
58.00574	0.6
59.01378	14.7
69.08411	2.8
71.01382	7.7
72.01671	0.3
72.99311	0.7
73.02937	0.5
83.01395	0.6
85.02956	1.9
85.06588	6.8
86.06944	0.4
87.00877	0.8
89.02447	9.4
93.03455	0.7
95.01394	0.8
101.02443	6.1
109.02930	0.5
111.04524	0.4
113.02461	3.5
113.06102	1.9
115.07646	1.2
119.03520	4.3
125.02416	0.5
127.07654	0.7
131.07152	34.5
132.07506	1.1
133.02969	1.0
135.04532	0.6
169.51370	0.3
172.98312	0.3
173.04587	0.5
173.08159	1.1
179.05614	0.4
191.05638	4.2
215.05565	0.5
242.20370	0.3
293.12436	100.0
294.12787	8.3
351.07260	0.7
466.88892	0.4
533.91571	0.3
715.16852	0.9
716.16602	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66773	1.3
54.56160	1.4
57.03429	1.9
59.01366	4.3
69.03471	11.5
69.12376	11.2
71.01383	5.5
83.01398	1.9
83.04950	1.4
89.02440	1.7
97.02933	7.1
98.03727	1.9
99.04540	2.2
101.02467	4.5
106.11068	1.6
113.02419	1.6
115.67256	1.6
125.09753	1.7
151.11261	2.7
161.09734	3.7
169.08333	1.4
179.10724	7.4
190.90604	1.6
197.11842	49.6
198.12192	2.3
202.79478	1.7
223.09682	1.5
241.10907	1.7
241.19525	1.4
243.13857	1.8
253.09335	3.0
255.23308	100.0
256.23694	9.3
279.17566	2.3
297.18787	2.7
316.06097	1.5
341.17596	13.4
347.10669	1.7
407.30487	1.5
595.41327	8.5
596.41663	3.0
613.86462	1.5
671.46716	24.7
672.47009	5.1
715.42761	68.8
716.43237	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83455	1.0
50.83755	1.0
61.98833	75.3
62.71233	1.1
65.58714	0.9
71.01376	1.2
84.63535	1.2
88.98815	1.3
97.75188	1.0
98.61923	1.0
101.02427	1.4
108.02160	2.4
116.46766	1.0
116.92896	1.3
121.02963	1.2
123.04532	2.3
125.02457	3.0
134.06097	1.0
149.20805	1.1
150.03217	2.2
151.00363	2.2
199.03888	1.2
203.97884	1.1
220.16081	1.2
230.02148	3.3
241.01396	2.6
242.02248	7.9
243.02971	2.9
258.01685	6.4
259.02344	3.9
269.00867	1.5
270.01688	6.8
271.02429	3.1
273.04279	7.4
274.01315	1.8
285.03976	1.4
286.01157	9.3
287.01959	4.4
287.05411	1.7
289.07068	1.2
298.01126	1.5
299.01965	2.2
301.03574	12.5
314.00610	1.4
315.01563	10.4
315.04935	2.0
316.01886	1.3
316.05777	2.7
317.06656	1.3
329.03033	40.8
330.03757	16.6
344.05389	36.9
345.06107	31.5
346.06451	1.9
370.36322	1.0
524.19965	1.8
555.22064	1.3
653.17236	100.0
654.17627	20.2
715.77594	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52515	0.6
56.25272	0.6
57.03454	1.0
58.02979	11.9
59.01352	0.9
63.43886	0.6
65.00333	10.8
69.02082	1.1
69.02489	4.3
70.02984	4.9
72.00910	3.8
82.02941	0.7
83.01402	4.7
91.05544	2.8
98.22547	1.5
99.92589	1.4
101.02444	0.8
107.01403	14.9
116.92876	10.0
117.92918	2.4
121.02986	0.7
123.04536	5.6
124.01643	1.3
125.02451	7.9
133.02945	2.2
135.04555	1.9
147.04536	24.2
148.04852	1.6
149.02489	0.9
150.03239	3.6
151.00381	61.5
151.04007	14.4
152.01050	3.4
161.02486	0.8
162.09247	0.8
164.07176	63.5
165.07487	3.4
169.01379	1.5
175.03992	1.0
177.01913	1.5
178.99907	4.4
185.06078	0.9
191.05652	0.7
199.04066	1.8
206.08234	100.0
207.08556	6.7
215.03429	0.7
217.05069	0.9
229.04987	0.7
257.04633	1.0
267.02832	0.7
285.04068	39.5
286.04465	4.2
303.05212	2.5
313.09326	0.9
339.07199	1.5
447.09518	1.1
465.10397	45.7
466.10751	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02919	0.4
55.01876	0.5
57.03448	2.6
69.03456	1.0
69.26125	3.6
81.03452	2.8
83.01383	3.3
85.02963	0.6
93.03431	2.2
95.05022	3.3
97.02966	6.4
107.05036	0.4
108.02162	0.8
108.14998	0.4
109.02962	25.2
110.03323	0.8
111.04501	0.7
118.59484	0.5
121.02965	3.6
122.03745	1.1
123.03632	0.8
123.04534	15.1
124.04921	0.4
125.02463	17.6
126.02759	0.4
133.02901	0.5
135.04575	2.8
137.02454	11.7
138.03227	1.1
139.04027	3.5
143.07039	0.5
145.02950	1.3
146.03741	1.0
147.04468	0.5
149.02428	4.3
150.03206	1.7
151.04024	8.0
157.06500	0.8
159.04488	3.1
160.05272	1.8
161.02446	2.1
161.06113	6.2
162.03198	2.0
163.04042	1.0
164.01170	3.4
165.01932	4.3
167.03494	1.5
173.06061	0.9
175.03999	2.2
175.07626	1.9
177.05560	0.6
179.03502	5.9
185.05881	0.4
187.04016	4.3
188.04813	4.1
199.07623	0.9
201.05557	1.0
202.06358	2.6
203.07143	14.1
204.07539	1.0
205.05080	8.9
205.06999	0.5
206.05345	0.8
212.04752	1.1
217.08727	0.8
217.10825	1.2
221.08228	3.5
227.07124	2.6
230.05774	1.0
231.03014	0.7
245.08195	17.9
246.08525	2.1
247.06131	1.0
271.06039	0.6
277.03824	0.5
289.07193	100.0
290.04324	0.6
290.07529	10.9
379.15933	0.5
478.37582	0.5
687.66382	0.5
716.16809	0.6
717.15826	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.35
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	2.5
60.34346	1.6
61.98819	1.6
69.07262	13.9
71.01377	2.8
76.48586	1.3
83.05035	5.2
83.96461	1.3
85.02959	1.8
89.02473	2.0
101.02449	1.6
103.80928	1.5
125.02432	1.3
127.92312	1.3
133.83710	1.4
135.08217	1.3
163.11288	3.7
165.12810	2.3
170.71056	1.6
171.10309	2.9
191.10760	1.7
209.11841	100.0
210.12213	8.3
227.12950	13.8
253.09253	5.6
514.53668	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.4
61.98838	55.0
62.80950	3.6
63.22087	3.9
65.20126	4.7
71.01392	51.0
71.32375	7.0
74.69955	4.1
84.90876	4.5
97.02902	3.8
103.26423	4.0
109.06590	5.1
125.02500	6.1
125.09742	5.1
129.19022	3.8
136.32370	5.0
139.62338	4.4
154.23628	3.7
163.11253	7.8
171.10205	11.3
173.53506	3.9
174.72655	4.0
176.92374	4.1
183.13849	6.8
190.97255	4.7
199.13416	7.6
201.11458	4.5
204.14351	4.5
207.10254	35.5
209.11852	19.7
211.13391	100.0
212.13708	9.4
225.11363	18.1
227.12842	21.2
235.08359	4.8
253.09276	11.9
262.18927	4.8
401.23349	8.0
456.37372	5.2
461.20297	9.4
506.19556	4.5
537.22711	5.1
637.32935	6.2
638.33752	6.2
648.42694	5.2
655.33337	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27957	0.1
59.01398	0.2
61.98835	100.0
62.98515	0.1
63.75394	0.1
69.05253	0.8
69.05676	0.2
71.01381	0.1
82.61976	0.1
85.00456	0.5
99.10732	0.1
121.03006	0.2
130.28639	0.2
164.00749	0.1
243.59653	0.1
341.98578	0.2
465.82083	0.1
627.39807	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96294	0.5
55.90008	0.5
59.01369	0.9
61.98832	100.0
67.51916	0.4
71.01376	0.5
71.29582	0.6
72.96617	0.6
78.95905	0.5
92.49168	0.4
127.33335	0.4
128.83449	0.5
229.17763	0.5
445.71060	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10178	4.1
58.31298	3.9
59.01385	50.4
61.98852	5.6
65.79307	3.9
71.31807	4.6
78.95913	4.6
79.53078	4.0
81.38487	4.2
82.95414	3.9
84.00919	13.5
101.02493	4.7
113.02505	5.8
116.21921	4.3
118.40251	4.1
119.03484	7.0
122.77737	3.9
178.84178	3.6
204.10796	4.0
209.11832	13.6
212.01866	4.2
273.96661	4.4
277.21912	10.0
451.32126	96.4
452.32568	24.6
493.33105	5.8
511.34241	100.0
512.34613	18.5
653.77643	5.6
716.41522	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39883	2.3
59.01386	100.0
61.98836	3.1
79.55508	1.6
85.00426	2.3
117.54354	2.0
137.94345	1.9
159.00496	1.7
209.11923	2.4
232.48682	1.8
277.21664	3.4
278.22153	3.7
457.18906	2.6
480.14087	2.1
481.11453	2.9
496.13837	15.3
497.14304	10.2
498.15646	3.0
510.15445	7.8
511.16284	13.3
512.16840	4.2
513.17877	5.8
539.20148	3.3
544.16150	6.3
545.16754	2.9
567.18909	11.6
568.19318	4.1
571.18524	16.2
572.18610	4.2
589.19574	2.0
597.20197	2.7
598.20483	4.7
599.12811	2.5
599.21716	37.1
600.21808	13.0
602.16711	4.3
630.19861	2.5
638.11499	1.9
657.22174	19.3
658.22327	5.0
673.48138	2.5
717.24213	92.4
718.24420	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42205	0.4
57.03450	0.8
59.01374	1.6
68.77274	0.5
69.90224	0.6
70.33483	1.0
70.33808	0.6
71.01392	0.7
85.02958	5.4
87.00863	1.3
87.58335	0.5
89.80303	0.6
90.18742	0.5
93.02969	0.5
93.03448	3.0
109.02967	0.5
111.04525	0.7
119.05024	0.5
121.02939	0.7
125.02436	1.8
127.04001	1.9
140.33769	0.4
142.58212	0.4
163.03983	1.1
173.04561	1.6
191.05623	100.0
192.06013	4.5
308.15601	0.5
337.09326	20.4
338.09659	2.4
379.16217	0.8
422.19843	0.5
525.91602	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.1
57.03448	2.8
57.07794	1.9
58.00583	3.0
59.01385	41.0
61.98825	2.0
65.11377	1.9
71.01389	40.7
72.99316	4.7
73.02947	5.9
83.01392	6.1
84.42341	1.9
85.02980	11.3
89.02450	32.2
93.03462	7.0
95.01416	3.5
96.37213	2.3
99.00870	3.2
101.02456	23.0
108.02177	3.1
113.02489	12.3
113.03162	2.0
119.03516	13.2
121.02964	16.0
122.03768	17.9
123.04562	5.6
125.02463	4.7
133.02995	5.2
134.03770	2.9
136.01636	2.2
137.02452	4.2
145.02924	2.9
147.04510	2.2
149.02461	46.5
149.06065	3.0
150.03242	92.2
151.03879	3.2
161.02409	3.1
161.04590	3.2
161.06181	3.5
162.03282	3.5
164.04808	8.6
165.01949	3.0
165.05582	63.9
166.06001	2.4
177.05621	6.4
179.05583	7.5
180.04347	4.3
181.08704	2.4
195.06651	24.2
198.81554	1.9
265.08557	2.0
269.08142	2.6
271.09650	2.2
281.08258	6.0
283.09814	4.8
289.07153	3.9
296.10413	3.3
297.11536	3.2
314.11667	2.3
325.10828	2.1
326.11606	6.5
327.12076	3.9
329.13922	7.1
341.14047	4.4
355.11969	4.8
431.14926	3.2
441.07169	2.3
462.16324	2.7
463.17377	3.3
473.14539	2.6
474.16510	2.8
476.17230	5.7
477.19061	7.5
489.19043	10.5
490.19382	3.5
491.19278	33.7
492.19604	3.9
503.19321	32.4
507.19968	7.1
521.20392	5.4
555.22882	2.1
639.24591	8.9
651.24530	55.3
652.24762	14.2
669.25623	100.0
670.25861	22.6
699.26550	5.0
717.27704	37.2
717.39014	1.8
718.27875	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86493	1.0
55.01871	1.5
57.03448	1.4
57.52953	1.1
58.00586	5.4
59.01382	100.0
67.95750	1.2
68.98388	5.1
68.98808	5.6
71.01385	70.3
72.94880	1.2
72.99310	7.1
73.02946	2.1
83.01394	2.4
85.02957	10.9
87.00877	4.5
89.02451	94.7
93.03435	1.5
95.01381	4.2
100.03849	1.2
101.02457	36.3
110.65573	1.3
113.01656	1.5
113.02456	28.5
119.03513	41.6
121.02940	7.1
122.03757	6.8
123.04554	2.5
125.02477	2.4
131.03499	4.0
131.05357	1.2
137.02477	1.8
141.07811	1.2
143.03520	5.7
145.03009	3.2
147.04501	1.2
149.02438	19.4
149.04555	4.8
150.03238	33.1
151.04002	1.5
161.02431	1.9
161.04582	9.0
162.03273	6.8
164.04802	5.1
165.05583	26.5
166.06303	3.7
172.16922	1.2
175.61914	1.2
177.05568	4.2
179.05641	16.8
179.07059	2.4
180.04327	1.8
181.08717	3.5
195.06653	16.1
223.09837	1.4
269.08249	3.4
271.10025	1.2
283.09833	5.3
295.06284	1.7
295.09695	1.8
298.12125	1.7
309.11325	1.3
310.08630	1.9
310.11954	1.4
311.09308	14.0
312.09781	1.8
314.11734	2.2
325.10825	5.0
325.83881	1.5
326.11536	12.9
327.12057	1.7
329.13983	5.5
337.10852	1.8
341.13937	18.1
342.14340	2.4
343.81506	1.2
355.11646	2.9
384.97534	1.4
474.16898	2.4
489.12488	2.1
489.19244	31.8
490.19659	6.3
537.21112	3.8
555.21692	1.4
717.26569	12.3
718.26862	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	4.0
59.01383	74.5
61.98829	3.8
62.81200	2.3
71.00004	5.3
71.01389	82.8
72.99318	5.9
83.01405	3.3
85.02966	6.9
89.02451	100.0
93.03442	4.6
101.02450	9.2
108.02235	3.4
109.02920	4.4
113.02468	11.5
119.03529	3.0
120.28529	2.2
121.02960	11.0
122.03770	18.5
125.02486	6.6
131.03523	12.6
146.03775	10.1
149.02461	49.3
149.04489	13.6
150.03244	93.3
151.03773	3.7
160.01703	3.7
161.06020	3.2
162.03226	7.1
162.84001	2.4
164.04866	11.6
165.05582	96.8
166.06354	6.8
175.96475	2.4
177.05557	5.8
178.02788	2.8
179.07156	13.6
180.04286	6.9
193.05098	8.7
195.06647	85.0
196.06996	4.5
235.06169	3.1
237.05788	3.1
270.09015	3.6
275.24686	2.6
285.11313	5.8
289.07266	5.3
298.08505	5.5
313.11157	4.1
324.10010	3.1
326.07904	5.0
341.10324	28.3
342.10794	4.9
356.12686	17.4
357.13574	3.7
359.15042	4.4
371.14999	96.3
372.15472	11.6
519.20380	44.8
520.20502	11.5
527.93896	3.0
555.21802	2.8
669.25427	11.5
687.27911	4.1
699.27795	6.7
717.28418	14.5
718.28296	3.6
724.25446	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50195	2.4
55.85422	2.6
57.03427	2.4
59.01384	41.9
69.03406	2.3
69.28332	2.2
71.01393	33.9
71.30276	4.2
72.99329	4.1
73.02948	3.6
83.01394	6.5
85.02942	11.6
87.00861	2.4
89.02449	26.6
93.03453	5.2
99.00897	2.9
101.02452	27.0
108.02194	4.2
109.02927	4.9
113.02471	9.6
119.03545	14.8
121.02974	18.5
122.03761	17.9
123.04497	4.4
125.02451	7.0
133.02968	5.1
136.01711	2.9
137.02388	5.3
141.69637	2.8
141.95021	2.4
145.02881	3.7
149.02451	50.7
150.03249	100.0
151.03772	5.0
159.04555	4.2
161.02373	2.9
161.04630	4.2
162.03261	4.3
164.04759	12.3
165.05580	72.3
165.06912	5.3
166.06007	3.2
175.04204	2.8
175.07698	2.7
177.05557	4.9
179.05588	8.0
180.04298	4.1
195.06653	22.8
212.04553	2.9
219.02702	2.6
267.06699	2.7
269.07904	3.0
281.08243	4.9
283.09717	2.9
311.08954	3.0
313.10919	3.8
314.11502	5.9
315.12534	4.8
325.10904	3.3
326.11682	3.0
327.12000	3.1
329.13950	8.9
341.14182	6.2
342.14224	2.6
355.11847	4.1
431.14877	5.0
473.15472	2.8
476.16974	4.0
477.19086	7.6
489.18924	10.0
491.19318	40.0
492.19235	8.8
503.19281	40.2
504.19727	3.7
507.20352	6.7
521.20282	3.5
525.21729	3.1
537.21509	3.3
590.93134	3.0
639.24048	7.3
651.24542	56.0
652.24750	11.0
663.44452	3.0
669.25604	96.7
670.25867	29.6
717.27496	34.1
718.27954	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.7
61.98831	5.3
67.78931	0.4
69.03444	0.4
69.29384	0.3
71.32039	0.4
83.04997	0.5
89.02440	0.6
93.03456	0.4
103.24343	0.4
105.82495	0.4
109.40201	0.4
113.02467	0.8
119.05038	1.1
121.02966	100.0
122.03304	3.2
125.02453	3.3
135.04555	0.4
137.02425	0.5
147.04504	5.9
163.04016	0.9
163.11348	0.4
166.20541	0.3
166.84506	0.4
171.10298	1.5
173.04546	0.4
173.89790	0.4
191.03516	92.8
191.89044	0.4
192.03859	5.8
209.11926	1.8
210.11974	0.4
225.11349	1.0
327.21732	0.7
353.31314	0.4
525.25073	1.4
579.20953	0.4
669.26825	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28718	0.6
59.01386	4.1
61.98807	1.0
69.22829	5.3
71.01394	3.5
73.02940	0.8
83.01408	0.7
85.02958	1.7
89.02454	2.2
101.02448	1.9
113.02430	1.0
119.03535	0.6
125.02423	0.9
127.00003	0.6
159.22620	0.5
185.11804	0.8
309.24365	0.9
327.25461	2.7
339.25375	3.7
357.26526	8.5
399.27408	0.8
489.30954	1.6
501.30807	3.8
519.31769	100.0
520.32104	19.4
524.71265	0.7
717.34772	6.9
718.34760	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
57.13651	0.5
58.00565	0.7
59.01383	4.1
61.98844	0.6
63.51541	0.5
66.96187	0.6
71.01391	4.4
71.32163	0.9
73.02920	0.7
83.51764	0.6
85.02953	1.2
87.00859	0.6
89.02448	1.9
89.39416	0.5
99.00868	0.6
101.02431	1.8
113.02464	1.2
119.03505	0.7
122.13654	0.5
125.02490	0.8
125.77972	0.6
170.43330	0.5
309.24326	1.4
327.25513	2.0
339.25458	3.2
357.26489	7.2
489.30743	2.1
501.30746	9.3
502.31042	0.7
519.31763	100.0
520.32129	18.1
561.33392	1.3
578.36212	0.6
717.34973	7.5
718.34454	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81189	0.4
53.66866	0.5
53.74117	0.4
58.00600	0.5
59.01386	4.9
61.98826	0.6
66.53320	0.5
71.01391	3.2
73.02974	0.6
83.01410	0.6
85.02951	1.3
89.02458	2.5
91.24841	0.5
95.01460	0.5
97.94883	0.5
98.21722	0.7
101.02457	2.6
113.02451	0.9
119.03509	0.7
125.46179	0.4
129.47093	0.5
179.05597	0.8
185.11871	0.7
309.24481	0.8
327.25348	2.2
339.25500	2.6
340.25934	0.5
357.26517	8.1
358.26846	1.0
411.27798	0.6
489.29901	1.0
501.24396	0.5
501.30313	2.7
519.31769	100.0
520.32135	16.2
717.34766	6.8
718.35107	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62922	9.0
59.01390	17.6
61.98838	46.6
66.92342	11.5
71.01370	22.2
71.30440	10.7
101.02493	15.6
131.48347	10.5
171.10255	26.8
222.45357	10.5
255.23161	62.7
283.26465	34.8
386.02856	11.4
387.31833	11.1
397.13538	100.0
410.93622	11.3
415.14642	25.4
681.41022	14.3
717.38251	45.2
724.23230	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	2.1
61.98842	2.1
70.06402	1.4
70.06802	2.6
71.01391	1.9
73.02968	1.2
79.31960	1.0
84.95139	2.6
84.99953	0.9
85.00452	2.1
87.00883	3.2
101.02459	1.5
106.45200	1.0
209.11797	1.6
253.21739	1.2
288.58005	1.1
306.43582	1.1
306.99493	1.0
425.34311	50.3
426.34616	8.4
451.32224	6.7
469.33252	100.0
470.33673	18.4
511.34528	3.4
516.34790	1.0
673.39319	2.8
673.49109	1.7
742.21002	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	7.6
61.98827	4.1
65.66553	2.5
69.66946	2.5
69.67390	2.1
69.70174	9.2
69.70551	4.7
70.01914	2.4
71.01389	4.5
71.82137	2.1
73.02943	3.8
78.95901	4.9
82.51384	2.2
116.92824	5.9
120.04670	2.2
121.02962	4.0
171.10356	3.3
200.84818	2.6
277.21704	8.0
469.33307	100.0
470.33728	21.3
483.34476	3.6
511.34497	4.4
537.05585	2.5
577.26581	3.2
628.36377	3.7
648.10077	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
71.95815	13.6
73.81695	15.1
80.41185	15.5
91.94563	16.3
137.02461	91.6
164.44737	12.9
165.01932	100.0
285.08072	14.2
314.30045	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07728	0.2
59.01378	0.3
61.98833	100.0
127.50506	0.2
181.00790	0.2
297.35605	0.2
526.81946	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.3
61.98832	100.0
62.98549	0.2
69.52859	0.1
76.22313	0.1
82.08675	0.1
87.64499	0.1
98.21711	0.2
99.04549	0.1
109.38545	0.1
119.34209	0.1
141.18016	0.1
158.69913	0.1
215.86998	0.1
298.65982	0.1
311.06097	0.1
348.93906	0.1
394.11765	0.1
519.59973	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
61.98834	100.0
69.69016	0.7
81.19482	0.2
99.04547	0.7
153.01773	0.2
164.04845	0.4
176.70532	0.2
633.16333	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76837	8.8
52.90026	8.6
59.01389	100.0
61.98839	46.0
66.48002	7.5
72.99323	25.1
98.22570	16.5
99.04533	85.3
139.97217	10.3
259.13232	12.7
266.27066	9.2
341.65451	10.2
347.16034	9.0
349.42062	8.8
502.21979	17.5
512.19769	13.2
530.21155	13.9
533.77600	9.7
657.70300	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
62.98528	0.2
65.60762	0.2
69.39203	0.2
70.64511	0.2
70.64828	0.3
71.01408	0.2
78.95949	0.2
81.63780	0.2
119.62521	0.2
148.47035	0.1
176.61452	0.2
209.11899	0.6
211.13333	0.2
256.13501	0.1
273.17093	0.3
293.21362	0.3
416.05661	0.2
635.51422	0.2
718.39551	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
58.00603	1.0
59.01094	2.0
59.01384	35.0
61.98828	4.3
69.03444	2.3
71.01389	33.8
72.99310	2.3
73.02927	5.0
81.03452	1.3
83.01394	2.9
85.02953	6.7
87.00887	6.3
88.70486	1.0
89.02450	31.3
90.50887	1.0
95.01398	2.7
97.02953	4.8
98.22538	3.0
99.00893	2.3
101.02444	26.2
111.04488	1.1
113.02442	12.9
114.87794	1.1
116.92887	1.6
119.03501	9.5
125.02463	11.0
131.03529	1.7
143.03473	4.9
149.04558	1.3
161.04558	6.6
179.05650	6.1
217.07133	1.5
221.06689	2.2
221.47774	1.0
235.08183	11.8
236.08487	1.5
239.50009	1.1
253.09312	4.0
262.73141	1.3
277.21722	80.3
278.22018	9.9
287.07791	3.2
305.05682	1.0
305.08731	5.5
315.45184	1.1
315.51193	1.3
323.09778	2.3
397.13522	100.0
398.13889	8.9
415.14575	37.0
416.14960	3.1
433.65533	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90322	3.3
59.01389	34.1
61.98837	26.2
71.01398	23.8
71.31863	5.1
71.32246	3.6
72.99307	6.4
73.02946	5.3
78.95921	3.8
82.46284	3.3
83.01386	4.2
83.50331	3.4
85.02962	4.1
87.00932	6.7
89.02451	29.9
97.02960	4.8
101.02446	25.0
108.66113	3.7
113.02428	7.1
119.03505	8.0
121.02920	3.8
125.02448	10.6
143.03506	5.3
161.04538	7.8
179.05542	6.0
197.96167	3.5
199.59442	3.1
209.11868	8.8
235.08237	14.5
253.09311	4.6
265.73883	3.0
273.77289	4.0
277.21759	81.3
278.22037	8.6
305.08823	6.9
325.34055	3.6
397.13538	100.0
398.13724	11.3
415.14627	39.4
484.06116	3.9
605.74664	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13401	1.2
59.01385	5.5
60.27531	1.1
61.98834	56.4
70.95890	2.0
71.01385	3.9
75.00880	1.3
76.06855	1.2
82.88446	1.2
83.05046	3.9
89.02454	2.3
92.95308	1.0
101.02464	3.1
101.31406	1.3
109.06597	1.6
113.02480	1.5
153.12808	1.5
153.56589	1.3
158.11578	1.4
161.04533	1.2
163.11327	3.4
165.12842	1.9
169.12332	4.6
171.10284	4.1
172.10660	1.1
197.11835	82.6
198.12181	6.5
207.10173	1.8
209.11838	100.0
210.12225	8.1
225.11292	1.6
227.12880	15.6
228.13251	1.3
235.08255	3.2
253.09262	8.7
264.14313	1.3
264.66330	1.3
273.17068	11.7
433.20850	3.5
445.20801	3.4
625.32690	1.8
659.32581	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.2
61.98832	100.0
71.01399	1.8
78.91899	0.6
83.01393	0.8
83.05045	2.2
85.02982	0.9
87.00891	0.9
89.02462	1.7
97.02969	1.1
99.94810	0.6
101.02466	2.5
113.02465	0.8
119.03584	0.7
132.22804	0.6
134.81029	0.5
163.11316	1.8
165.12831	0.8
169.12421	1.9
171.10281	5.3
172.10616	1.2
182.31032	0.6
197.11833	40.5
198.12263	2.3
207.10315	1.9
209.11835	33.6
210.12286	2.5
211.13361	0.6
223.09793	0.9
225.11345	1.6
227.12880	6.3
228.13435	0.8
229.41983	0.8
230.77802	0.6
235.08257	1.8
239.13036	0.6
253.09215	5.3
254.09961	0.6
273.17148	6.4
327.21933	0.7
328.22226	2.2
390.25073	0.6
433.21069	2.4
434.21680	0.8
445.20966	1.1
482.06537	0.8
718.37341	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53159	0.5
57.01868	0.6
59.49062	0.5
61.98820	0.9
65.00327	0.8
71.31110	0.6
83.01368	0.6
93.03465	0.6
107.01395	1.3
108.02168	0.8
125.02450	0.9
135.00929	0.5
151.00381	2.3
159.04546	0.7
164.01202	0.6
167.04996	0.5
183.04495	3.1
185.02437	0.8
187.03897	0.9
211.03998	2.9
212.04399	0.5
227.03516	84.3
228.03830	6.9
229.05067	1.5
255.03006	100.0
256.03516	13.2
257.04465	1.3
284.03284	53.9
285.03967	22.2
286.04443	2.1
327.05090	2.1
328.05643	0.6
677.17316	5.7
678.17657	1.8
719.18372	55.9
720.06573	0.7
720.18628	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
57.03456	1.4
59.01384	6.3
61.98829	11.0
69.03470	4.9
71.01383	6.0
71.05003	1.9
72.99303	0.7
73.02954	0.8
80.02671	2.1
81.03453	2.1
83.01408	1.8
83.05025	6.3
84.02182	1.3
85.02979	1.8
87.00916	1.0
89.02406	3.6
95.05011	0.9
97.06599	1.5
101.02435	5.4
109.06696	0.8
113.02474	1.1
119.03534	1.0
125.09727	2.8
151.11298	3.1
153.12915	1.0
161.04555	1.5
161.09714	4.5
163.11287	5.4
165.12900	2.3
179.10780	9.7
191.10835	1.3
197.11835	69.5
198.12167	3.9
209.11836	75.4
210.12204	5.1
227.12927	5.8
241.10825	3.3
253.09337	4.7
273.16937	0.9
314.22601	0.8
430.21167	1.0
477.19748	3.2
669.31354	1.3
687.32379	100.0
688.32678	25.1
719.35077	19.8
720.35675	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63386	1.2
54.54307	1.0
57.03472	1.1
59.01381	7.6
61.98824	7.2
71.01392	9.5
73.02949	2.1
78.95898	2.2
80.30997	1.0
81.03461	2.9
83.01417	2.0
83.05036	7.9
84.02172	2.3
85.02970	2.7
87.00862	1.3
87.53153	1.0
89.02434	5.9
93.03447	2.2
95.01417	1.1
95.05035	1.4
98.21729	2.0
98.22427	5.7
99.00910	1.1
101.02454	6.2
113.02468	3.7
116.92876	3.7
125.02479	2.8
135.08144	1.6
143.03506	1.1
144.71599	0.9
151.11348	1.5
152.72878	1.0
153.12881	2.3
161.04616	2.4
163.11317	7.7
165.12901	4.0
169.12350	40.6
170.12708	3.1
171.10281	1.7
173.04588	1.5
179.10695	1.7
181.12379	1.3
191.05652	8.7
191.10812	1.9
195.10355	1.2
197.11845	75.1
198.12207	5.5
209.11839	100.0
210.12117	7.1
227.12910	11.9
235.08333	1.9
241.14435	2.0
253.09338	4.8
662.33350	3.2
687.32367	72.7
688.32629	16.7
698.92877	1.4
719.35095	54.4
720.35492	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11405	0.4
55.01876	0.3
59.01377	3.3
59.48823	0.5
61.98835	2.9
62.07028	0.3
66.78891	0.3
69.03904	0.9
69.04312	2.6
70.34097	0.3
71.01392	3.0
73.02945	0.4
80.02670	0.9
81.03460	1.7
83.01392	2.7
83.05035	4.6
84.02165	1.2
85.02964	0.9
87.00906	0.9
89.02472	1.9
95.05024	0.6
97.02930	0.6
97.06586	0.6
101.02440	2.8
113.02461	1.2
119.03542	0.5
125.02431	0.3
125.06068	0.6
125.09722	3.0
127.11326	0.7
135.08191	1.2
141.53790	0.4
145.05023	0.3
147.11823	0.4
161.04555	1.3
163.11310	4.4
165.12865	2.4
171.10263	2.0
177.35106	0.3
181.12422	0.7
182.12990	0.4
191.10835	2.0
197.15392	0.4
207.10362	0.5
209.11835	100.0
210.12173	8.6
223.13371	0.7
226.12158	0.5
227.12895	10.1
228.13240	0.7
235.08223	2.1
241.14494	1.3
243.16057	1.0
253.09283	10.6
254.09641	0.8
273.17081	81.0
274.17426	7.2
432.50800	0.5
445.20749	0.7
465.28885	1.6
509.26114	1.0
734.92761	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34329	0.6
59.01385	100.0
60.01716	1.9
75.00885	0.9
84.42354	0.6
103.00384	6.1
103.01505	92.3
104.01827	0.8
110.88075	0.6
169.74564	0.6
435.39401	1.0
687.52985	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
61.98832	100.0
71.01385	0.2
86.04979	0.1
89.02483	0.2
93.96983	0.1
98.09469	0.1
101.02452	0.3
106.59737	0.1
113.02525	0.2
125.02466	0.2
146.06619	0.1
157.86363	0.2
160.84227	0.2
164.35414	0.1
218.79948	0.1
277.21722	0.9
332.61722	0.1
338.98270	0.2
397.13593	0.9
399.14185	0.2
415.14917	0.2
456.12848	0.1
553.73029	0.1
650.00256	0.2
684.19659	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36989	0.2
59.01390	0.2
61.88383	0.2
61.98834	100.0
65.32497	0.2
71.31903	0.3
78.95915	0.3
100.79266	0.2
124.14741	0.2
197.11862	0.5
209.11980	0.2
225.11398	0.5
225.95891	0.2
253.09175	0.2
298.77567	0.2
379.09903	0.2
661.23889	0.2
720.27527	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52750	0.1
52.65349	0.1
61.01427	0.1
61.98834	100.0
62.98523	0.2
68.35593	0.1
69.01933	0.3
69.02274	1.5
69.02584	0.1
93.30942	0.1
125.02480	0.2
139.74576	0.2
163.03004	0.1
164.44566	0.2
167.63304	0.1
191.05721	0.1
209.11896	0.7
211.13435	0.2
223.13449	0.5
225.11357	0.3
385.65414	0.2
689.34442	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28540	2.7
58.00588	3.0
59.01386	40.4
60.99312	6.1
61.98837	2.9
71.01380	37.4
72.99316	3.4
74.95883	2.8
82.04821	2.7
85.02980	5.9
87.00885	13.4
88.98817	51.1
89.02458	30.8
95.36578	2.9
97.02971	5.2
101.02464	24.3
113.02459	12.9
119.03528	4.8
123.04502	2.8
125.02451	19.9
137.02484	3.3
143.03500	3.8
151.04027	4.9
161.04552	5.7
165.55537	2.6
179.05653	9.0
191.05519	3.8
209.11786	3.9
235.08273	15.6
279.23300	94.2
280.23688	11.5
287.08029	3.2
289.07260	7.1
305.08847	3.8
328.57181	3.2
397.13501	100.0
398.13840	8.8
415.14706	34.5
416.15195	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86023	3.8
54.12014	3.6
58.76476	3.9
59.01386	29.9
60.52936	4.2
61.39966	3.6
61.98824	5.8
71.01382	20.9
73.02952	7.3
77.29910	3.9
82.43633	3.5
83.72528	3.8
85.02942	6.0
87.00868	5.7
89.02445	22.2
97.02999	4.5
101.02470	17.1
113.02443	9.8
119.03487	7.8
121.44140	4.5
121.76224	3.9
125.02489	13.9
142.36778	3.7
161.04602	3.8
179.05534	4.5
235.08197	9.1
279.23315	81.4
280.23734	6.8
293.02853	4.8
303.15500	4.1
397.13513	100.0
398.14078	9.2
415.14597	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
64.04178	0.3
76.75092	0.3
77.15943	0.3
78.34391	0.3
81.03467	3.5
83.05031	11.0
96.57498	0.3
97.36920	0.3
108.04532	0.4
115.97027	0.3
125.07246	0.6
189.28325	0.3
207.15005	1.2
224.17705	1.4
225.16092	10.4
226.16405	0.7
228.85921	0.3
242.18637	0.7
309.21838	0.5
311.20337	0.4
324.26556	0.4
341.29379	0.7
367.27246	1.0
433.31900	0.7
450.34253	0.9
451.32849	5.0
452.33115	0.9
460.31607	0.4
534.19891	0.3
550.43604	0.8
593.43811	0.4
604.73108	0.4
659.48499	1.1
677.49725	100.0
678.50043	28.3
720.50977	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.9
59.01363	1.3
67.01882	2.0
70.28109	0.9
70.82393	1.6
70.82723	1.4
71.01398	1.2
81.03514	0.9
83.05022	2.2
85.02963	7.2
87.00871	1.4
89.03979	1.2
93.03466	14.2
109.02957	3.6
111.04514	5.4
115.00426	1.0
117.03471	7.1
123.04539	1.2
123.77322	0.8
125.02432	5.1
127.03956	2.2
131.48863	0.8
133.02965	1.3
134.03752	84.8
135.04570	31.6
136.04869	1.7
137.02460	3.6
149.06096	7.8
151.04004	1.2
155.03539	6.9
161.02443	2.7
173.04558	45.4
174.04961	2.8
178.02747	1.2
179.03508	27.6
180.03827	1.0
191.05611	54.5
192.06003	2.3
193.05061	100.0
194.05394	4.9
217.61279	0.8
231.55301	0.9
242.05879	1.4
265.50946	0.8
285.11301	4.7
287.05676	1.1
289.07208	4.9
313.93515	1.0
353.08807	30.9
354.09070	2.8
367.10315	44.4
368.10580	5.6
373.09317	3.9
382.91632	1.0
547.14429	2.1
616.91968	1.1
721.19568	2.8
731.06879	1.0
731.86121	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80720	0.7
58.32518	0.7
59.01385	31.9
61.98833	2.8
68.10849	0.7
68.99577	100.0
69.05490	5.7
73.08182	0.7
75.86095	0.6
78.95901	1.8
95.57558	0.7
96.96029	8.7
96.96964	1.8
98.21765	1.4
99.04526	50.3
100.04927	1.0
112.98577	89.7
113.98960	1.0
138.54495	0.8
160.84236	1.6
162.83934	4.1
216.67609	0.8
225.11359	0.8
227.03619	2.1
228.03830	1.5
253.75255	0.7
255.03099	1.9
255.13457	0.8
256.03397	1.4
257.03738	1.1
285.03799	1.3
369.09796	1.5
399.14639	2.8
410.73370	0.8
491.17615	0.9
499.20007	10.0
500.20444	1.6
689.34253	1.0
721.18951	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28976	1.4
59.01376	16.3
61.98832	42.2
68.23076	1.5
69.03456	4.3
71.01387	25.9
71.30869	2.4
71.31242	2.1
73.02962	2.6
73.61684	1.8
78.95869	1.8
81.03468	3.6
82.53013	1.8
83.05036	5.3
84.02157	1.9
85.02953	2.3
87.00883	2.5
89.02453	4.2
93.03448	4.2
95.05022	2.2
97.02949	7.4
99.00899	3.7
101.02448	11.4
109.06599	36.2
109.07300	3.3
113.02457	5.9
119.03535	2.5
123.04473	2.4
125.09729	2.7
135.08156	2.8
136.05431	1.8
142.02711	2.8
145.05095	2.0
161.04607	2.9
161.09698	2.7
163.11296	19.2
167.10799	2.9
171.10248	3.0
173.04605	1.8
181.12384	7.9
185.11877	3.6
189.09264	2.7
191.05646	9.9
195.13866	7.5
197.11893	2.0
199.09792	3.5
205.12416	10.4
207.10272	100.0
208.10590	8.6
209.11845	16.1
210.39825	1.9
223.13396	80.6
224.13731	8.9
225.11346	70.1
226.11688	3.5
235.08258	5.5
243.12334	2.7
253.09303	17.7
280.60629	1.9
385.24161	3.0
395.22110	6.0
403.24872	3.2
413.23419	9.1
414.24017	2.2
431.24347	4.1
435.18588	1.8
443.19644	4.1
461.20334	23.9
462.20358	2.2
483.20523	1.9
649.31952	7.5
667.33594	17.1
668.33942	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.6
53.20576	1.3
54.69893	1.2
59.01383	10.8
60.44329	1.2
61.98833	27.9
70.75954	1.2
71.01387	100.0
72.01716	2.0
81.03468	2.2
83.01376	2.5
83.05034	6.6
85.02953	2.2
87.00891	2.1
89.02461	2.1
93.03475	1.5
97.02954	2.5
98.21744	3.0
98.22449	6.2
99.00890	2.5
101.02464	4.9
103.01524	1.6
109.02927	1.7
109.06582	4.3
109.37752	1.3
113.02471	2.4
125.02452	1.4
125.09740	3.4
126.10075	1.6
137.02435	1.6
161.04582	1.9
163.11284	8.5
164.11520	2.3
165.12840	2.7
171.10318	9.8
181.12321	4.0
185.11937	1.7
191.05620	7.5
191.10741	3.7
199.13419	4.3
207.10269	15.4
209.11839	92.1
210.12163	30.7
211.12346	13.5
225.11328	17.2
226.11588	1.8
227.12837	12.9
228.13153	3.3
228.80342	1.6
235.08218	3.9
243.12451	1.9
253.09322	9.9
254.09612	3.1
273.17099	29.6
274.17444	24.0
275.17612	13.3
461.20224	5.2
671.32672	2.5
689.34210	10.3
690.34082	3.0
721.36841	7.1
722.37201	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.4
59.01394	7.7
59.77872	1.1
61.98839	15.6
69.03448	1.5
71.01393	6.4
71.05031	4.5
80.02698	1.2
83.01385	1.2
83.05037	4.5
85.02965	2.1
88.04638	1.0
89.02438	3.3
93.03461	1.2
95.05055	2.3
97.02975	3.9
97.06599	1.9
99.00893	18.1
101.02480	3.2
101.21671	0.9
105.03450	1.1
109.02972	1.1
109.06601	2.7
110.03802	1.6
113.02453	2.0
119.03508	1.1
125.02455	1.8
125.07617	1.0
125.09721	8.1
133.02965	2.9
134.03697	1.5
135.08165	1.4
137.02432	6.4
140.79066	1.1
151.03954	1.3
151.07832	1.2
161.04651	1.6
161.95227	1.1
163.11310	11.0
165.01913	2.6
171.10300	9.2
172.24390	1.2
173.04536	2.0
177.01929	3.3
178.02731	5.4
181.12373	19.2
182.12695	1.5
191.05647	4.8
199.13419	8.7
201.05576	1.3
207.10294	27.3
209.11852	44.7
210.12157	4.5
225.11351	43.7
226.11674	4.0
227.12927	4.5
243.12387	22.0
244.12650	1.7
246.00145	1.1
253.09210	2.4
263.79077	1.2
307.68604	1.1
434.20609	1.2
461.20197	2.3
479.21155	9.6
612.24951	1.4
622.89734	1.2
625.24371	1.3
671.32794	3.5
672.32916	1.2
689.33899	100.0
690.34192	23.9
721.36310	3.1
722.36731	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99312	15.2
63.38134	0.5
68.09151	0.5
69.96243	1.8
73.41895	0.4
88.98814	100.0
89.02464	2.9
89.77855	0.4
89.99147	1.2
93.93982	0.5
94.73125	0.5
108.58997	0.5
125.02460	0.6
195.29532	0.5
223.68207	0.5
293.21130	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.4
60.99310	15.8
61.98846	0.5
69.05547	2.0
69.05954	1.4
71.01376	0.5
71.88837	0.4
78.65706	0.4
87.00875	0.8
88.00439	0.5
88.98813	100.0
89.02445	5.7
89.99143	1.4
148.90904	0.4
191.05687	1.0
209.11868	3.5
250.93965	0.4
253.09212	0.5
293.21268	1.8
319.19189	0.8
645.26868	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
60.99313	17.0
69.18858	1.9
69.19273	4.0
88.98814	100.0
89.99165	1.1
109.06633	1.2
111.46808	0.9
163.11287	0.9
207.10309	4.5
211.13509	1.5
225.11380	5.8
235.08235	1.1
236.19060	0.7
253.09369	1.2
277.21713	7.9
291.19763	1.4
425.34219	1.9
461.20477	1.3
469.33200	8.9
470.33197	1.5
631.38428	2.7
721.41577	2.1
722.42468	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	14.2
59.81882	2.7
69.11343	24.1
71.01385	7.8
83.05047	3.1
87.04111	2.2
89.02454	6.1
90.99065	2.4
96.42633	2.4
97.02973	7.3
98.22471	5.2
101.02458	5.0
107.17974	2.8
109.06594	38.7
122.11852	2.7
135.08109	4.1
142.82285	2.4
163.11325	20.3
181.12297	4.3
189.09253	4.1
207.10277	100.0
208.10625	8.8
225.11334	36.7
226.11575	4.4
247.46481	2.7
247.83733	3.0
253.09264	10.4
277.21768	72.0
278.22034	8.0
362.94421	2.6
400.04291	2.9
403.36481	2.2
443.19138	5.2
461.20370	10.9
539.47192	2.5
566.22534	2.7
721.41772	22.3
722.42267	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52563	1.4
56.43675	1.5
59.01377	7.4
71.01374	3.6
72.66915	1.4
83.04997	1.7
85.02964	3.5
89.02439	4.2
97.02958	3.3
99.00871	1.8
101.02458	6.4
109.06596	17.9
113.02454	3.4
119.03488	2.4
133.91214	2.1
135.08156	2.1
161.04611	2.9
163.11313	11.1
189.09308	1.5
207.10274	53.6
208.10611	4.1
225.11325	27.9
226.11681	2.7
235.08279	6.1
253.09331	9.8
277.21738	100.0
278.22040	10.5
299.15030	2.5
343.72601	1.9
416.19385	1.7
443.19131	3.1
461.20355	4.8
721.41693	20.4
722.41827	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	7.5
61.22702	1.0
65.28234	1.2
67.21462	1.0
69.56329	2.5
69.56734	3.0
70.24695	0.9
71.01389	7.5
73.02936	2.3
73.14187	0.9
81.03463	1.7
83.01376	1.3
83.05050	1.7
83.26691	1.0
85.02955	1.3
87.00868	1.4
89.02457	4.8
94.56712	0.9
95.01385	1.7
95.05027	4.2
97.02965	3.5
101.02439	6.1
109.06625	9.7
110.03717	1.7
111.04531	1.9
113.02441	2.5
119.03532	1.9
127.07653	1.3
135.08171	1.9
145.04958	1.1
145.10255	1.5
161.04558	2.4
161.09721	2.1
163.11266	12.1
179.05695	2.4
179.10764	2.6
181.12328	1.9
189.09229	4.3
197.11795	1.9
207.10262	44.4
208.10576	3.1
225.11331	100.0
226.11688	6.4
235.08215	6.4
253.09314	10.5
254.09760	1.2
277.21729	76.9
278.22110	9.8
299.15088	1.6
394.73291	0.9
417.36325	1.0
443.19113	8.0
444.19388	1.7
461.20331	18.8
462.20447	2.6
721.41791	13.7
722.41638	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20020	2.2
72.79363	2.2
78.95442	5.4
78.95912	100.0
96.96976	8.5
98.21743	5.6
112.77042	2.2
152.37560	2.5
152.99603	44.0
162.33426	2.6
171.10310	5.5
211.13347	5.6
229.14417	3.0
242.13026	2.8
255.23280	67.9
255.25830	4.1
256.23666	6.1
264.84531	2.5
329.23318	7.7
348.56885	3.0
377.00681	2.6
391.22672	17.5
409.23685	3.5
423.92233	2.8
425.34406	6.9
451.32318	3.3
465.22397	7.4
469.33298	25.1
470.33936	5.4
554.59375	3.2
635.76813	2.8
721.46912	62.7
722.46808	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28778	1.9
57.03434	5.4
59.01368	8.3
67.01870	2.9
71.01377	6.1
71.31513	4.0
81.03452	3.4
83.01389	7.2
85.02953	6.9
87.00863	2.4
89.02452	5.3
91.42136	1.8
93.03461	19.7
95.05021	4.4
97.02963	7.1
99.04498	1.9
101.02424	2.8
105.03462	2.5
106.04271	2.4
107.32895	1.9
109.02967	32.0
111.04519	5.5
113.02436	2.0
117.03464	3.2
119.05027	37.0
120.60758	2.0
121.02972	7.0
123.04523	19.0
125.02457	27.7
133.02977	22.8
134.03728	5.1
135.04504	5.2
137.02451	34.1
139.03981	6.7
143.05003	2.0
145.02980	10.4
146.03821	2.3
149.02441	8.1
150.03172	2.8
151.04010	13.3
151.07628	2.4
155.03525	3.3
159.04521	6.8
161.02454	51.3
161.06116	10.0
162.02931	3.4
163.00407	2.7
163.04036	29.9
164.01094	3.0
165.01875	3.3
167.03520	1.8
169.06618	2.0
173.04562	17.5
173.05923	3.3
175.03954	6.0
175.07639	2.7
176.01135	2.6
177.01939	61.5
178.02580	6.1
179.03470	10.8
185.06180	2.2
185.09621	2.3
187.03972	7.2
188.04736	3.9
189.01900	6.6
191.05641	17.8
193.05023	3.5
193.52950	2.0
199.11314	2.8
201.01727	2.1
203.03456	3.8
203.07114	14.5
205.05043	9.3
213.05595	2.4
217.01662	2.2
227.03552	3.4
227.07169	5.3
229.01523	3.2
229.05074	13.0
243.06615	2.6
245.08141	20.9
247.05997	2.9
248.06999	2.0
255.06677	3.6
255.17514	8.2
269.04547	5.0
271.03021	3.3
271.06125	52.9
272.06357	4.8
273.03818	2.3
279.06461	3.4
281.04514	6.3
281.15671	4.2
282.05429	2.6
283.06155	5.1
289.07193	100.0
290.07632	9.0
299.05298	3.8
299.16473	3.2
311.05579	3.2
321.04031	4.4
321.07538	3.6
323.05432	5.7
329.06641	3.2
333.07758	2.0
339.05051	9.9
341.06589	2.7
343.15442	5.6
369.09744	11.8
387.14453	32.3
388.15234	2.4
415.08176	4.8
419.07605	12.5
420.07779	2.1
433.09286	27.1
435.11182	2.5
451.10464	14.7
459.07251	7.7
549.19812	6.5
553.11444	19.5
554.11780	3.2
561.19531	6.2
571.12482	29.8
572.12854	9.1
705.15381	2.5
706.15900	2.7
723.16119	23.4
724.17584	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58223	2.2
63.32435	2.1
69.51748	2.2
71.01376	2.0
71.29890	3.4
85.02956	11.2
87.00926	2.9
92.42168	1.9
93.03468	7.6
95.05017	2.3
105.03487	5.3
107.05052	3.9
109.02962	5.4
111.04533	2.7
133.02969	51.6
134.03709	6.8
135.04543	44.4
136.04865	4.4
139.39963	2.0
151.04022	6.0
155.03455	2.7
161.02431	3.5
173.04561	9.4
177.01915	6.1
179.03525	38.6
191.05634	100.0
192.05963	5.8
195.02986	17.4
223.04657	4.3
353.08774	69.5
354.09109	8.4
369.08264	7.6
379.30801	2.2
423.26007	2.4
585.23938	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
59.01375	1.6
60.99309	1.1
63.42774	0.4
67.01898	3.3
69.03451	0.5
69.14309	0.9
69.14706	3.4
71.01378	1.8
71.18983	0.4
81.03461	0.9
83.05042	0.9
85.02952	8.1
87.00883	5.7
93.03464	22.1
95.05003	0.7
98.22522	0.9
101.02464	0.5
105.03498	1.0
107.05004	0.6
109.02956	2.5
111.04527	3.2
113.02486	0.4
116.13635	0.4
119.05053	0.8
123.04565	0.9
125.02464	0.6
127.04028	1.5
129.01949	0.9
133.02963	16.7
134.03781	5.2
135.04559	2.6
137.02443	1.0
137.62946	0.4
149.06087	1.7
150.49805	0.5
151.04097	0.7
155.03491	1.0
161.02444	1.8
163.04053	0.8
171.03001	0.4
173.04550	15.0
174.04892	0.8
177.01947	3.9
178.02673	1.7
179.03546	0.9
183.42480	0.4
191.05621	100.0
192.05960	4.8
193.05042	8.4
195.02972	4.0
215.05585	5.0
223.04486	0.7
261.87042	0.4
289.07278	0.6
307.08295	1.0
351.07208	12.6
352.07541	1.3
353.08786	9.6
354.09262	0.7
355.10016	0.6
369.08286	18.8
370.08670	1.6
531.10999	0.7
549.15985	0.8
723.18103	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.1
65.00329	1.7
69.93818	4.0
71.01382	1.5
75.86026	0.8
83.01390	1.6
89.02449	1.7
101.44119	0.9
107.01421	2.8
109.02938	1.1
125.02448	3.2
137.02489	1.6
147.04530	1.3
149.02443	0.9
150.03226	1.1
151.00383	13.0
151.04018	1.2
152.01086	1.1
159.04633	1.7
161.02435	1.1
163.00388	3.1
165.05652	1.7
171.04535	1.3
175.04002	2.0
177.01941	1.8
178.99876	6.9
187.04024	3.3
189.01920	1.3
193.22131	1.1
199.04039	3.2
201.01871	1.0
203.03564	12.3
213.01950	1.9
215.03467	10.0
227.03534	1.5
230.57274	1.1
231.03027	9.0
241.01341	1.7
242.02180	1.6
243.02966	14.5
245.08328	1.1
258.99777	1.6
259.02484	24.0
260.02936	2.2
269.00995	1.6
270.01630	3.2
271.02509	28.0
272.02890	2.5
285.04132	2.8
286.01309	2.2
287.01962	42.6
288.02292	4.6
289.07211	1.9
301.03564	3.1
315.01483	96.0
316.02103	20.3
330.03830	100.0
331.04520	45.2
332.04971	4.8
341.13879	1.5
373.05853	1.2
398.22018	1.0
438.38647	1.1
489.19534	2.7
677.49408	1.2
681.16779	17.8
682.17206	3.6
687.26282	1.6
723.17804	87.3
724.18256	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
59.01388	3.0
69.11009	3.6
71.01381	1.2
77.32520	0.4
81.03441	0.6
83.01396	22.4
84.01736	0.3
89.02429	1.4
92.55251	0.4
93.03474	1.9
98.22510	0.8
107.05036	1.8
108.01495	0.6
108.02185	7.5
109.02999	3.7
113.02393	0.5
113.80517	0.4
117.07110	0.5
121.02967	22.6
122.03827	2.3
125.02410	0.7
127.31961	0.4
133.02997	1.3
134.03780	1.1
135.04553	1.0
136.01672	5.9
137.02483	3.9
138.54640	0.4
143.05006	0.7
145.06593	1.3
147.08189	5.0
148.12477	0.3
149.02403	0.5
150.03229	5.1
151.04012	0.9
157.06580	2.7
159.04562	0.4
160.05299	1.2
161.04771	0.6
161.06068	4.7
162.06758	0.8
170.04950	0.4
173.05962	0.6
175.07669	5.0
182.02226	2.2
189.05551	3.5
190.06299	0.9
193.05083	0.4
219.06546	0.5
233.04546	1.5
293.08719	0.4
295.09927	0.5
296.10559	6.1
297.11295	7.0
325.10825	22.0
326.11172	2.8
340.09482	1.3
366.56107	0.4
369.09805	100.0
370.10159	12.7
453.00235	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84437	0.8
59.01376	1.5
65.45030	0.9
67.01875	1.1
69.33516	1.0
69.38340	6.0
71.01382	1.5
83.63965	0.8
85.02970	5.8
87.00899	1.5
93.03476	3.9
96.96043	4.2
109.02971	1.9
119.05093	2.4
125.02519	1.9
127.04044	1.7
133.03035	1.6
138.15346	0.9
163.04041	2.0
168.86195	0.9
173.04567	2.2
191.05632	100.0
192.05960	4.2
208.44864	0.9
225.77820	0.9
337.09314	23.9
338.09625	2.1
573.39233	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20200	1.3
55.01875	1.5
57.03439	3.0
58.00597	3.3
58.75930	1.5
59.01382	73.5
65.01737	1.5
71.01386	56.9
71.31682	2.7
72.99294	3.8
73.02954	9.7
75.29019	1.2
83.01373	6.4
85.02953	16.0
87.00888	7.5
89.02454	69.2
90.02778	1.8
92.74508	1.3
93.03442	1.7
95.01379	4.7
97.02995	2.5
99.00885	6.4
99.08159	6.0
100.14269	1.4
101.02448	37.8
109.02961	2.4
113.02459	18.8
116.92886	1.9
119.03519	24.9
121.02935	2.1
123.04524	1.9
125.02493	11.5
129.01950	2.4
129.58194	1.7
131.03516	50.9
133.03011	2.8
135.04590	2.2
137.02440	2.4
143.03491	4.9
144.77490	1.8
145.08713	21.3
149.04570	26.8
151.03978	1.9
155.10759	3.3
161.02415	4.3
161.04553	16.2
161.05914	2.3
173.04568	4.6
174.04713	1.5
177.01826	2.4
179.05620	100.0
180.05948	4.0
191.05629	41.4
192.05899	1.8
205.03293	1.6
221.06645	25.9
243.02901	2.0
251.07719	6.4
263.07715	10.8
271.02505	3.9
271.06219	4.0
275.07645	3.4
289.07156	6.6
293.08780	8.5
307.13989	58.1
308.14365	4.7
379.08133	1.5
391.04797	1.9
473.14996	2.6
663.28662	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55827	1.4
58.98333	1.3
59.01377	6.6
61.23393	1.5
61.98515	2.9
61.98834	52.5
71.01385	5.9
71.32580	1.8
73.02933	2.4
75.73211	1.5
76.31290	1.3
83.01387	2.2
83.05012	4.0
85.02971	2.4
85.09315	1.3
87.00878	3.2
88.98811	1.6
89.02447	4.1
96.95998	1.8
101.02471	3.6
106.61266	1.4
109.06596	1.8
113.02479	2.8
119.03514	1.5
122.52198	1.8
125.02463	3.4
137.02422	2.0
148.13046	1.7
151.04044	2.4
163.11310	3.2
165.12827	2.3
169.12361	3.1
171.10274	7.0
191.05687	3.7
201.11336	22.7
209.11853	100.0
210.12164	9.9
221.11848	1.7
225.11263	2.8
227.12964	11.4
232.03299	1.5
235.08243	3.6
253.09254	8.7
293.68283	1.4
355.31827	1.6
405.35541	1.6
445.20486	1.7
481.31888	1.8
525.30750	6.0
546.67877	1.7
723.36383	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96365	1.1
70.87077	1.2
70.87398	1.4
78.95912	17.5
83.05037	3.9
96.96954	1.7
135.15277	1.1
152.99594	39.6
163.11316	3.1
165.12839	2.9
171.00674	5.2
191.10765	1.3
209.11844	100.0
210.12151	7.7
227.03305	3.6
227.12891	9.7
245.04137	1.5
253.02374	1.3
253.21735	14.2
255.23230	2.0
296.65839	1.1
363.12167	3.0
395.14789	1.6
437.15842	2.1
455.16956	5.4
487.19531	56.9
488.20105	5.8
691.38379	5.0
692.38684	1.8
723.40955	41.3
724.41205	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88769	1.1
59.01390	3.5
61.98823	3.1
71.01379	2.2
71.29773	1.8
71.30136	2.0
75.20548	1.2
78.05659	1.2
80.02674	1.5
83.05029	4.3
83.99616	1.2
85.03413	1.8
94.28218	1.5
111.69809	1.2
113.02415	1.7
163.11284	3.7
165.12845	2.4
173.05421	1.3
207.10194	1.4
209.11833	100.0
210.12141	6.3
225.74986	1.3
227.12881	15.4
228.13383	2.4
236.22021	1.6
253.09225	8.3
277.21735	53.9
278.22098	3.5
329.19675	1.5
355.06885	1.5
452.41702	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.1
59.89715	0.5
71.01381	3.6
73.02944	0.9
80.02694	0.7
81.03465	0.4
83.01389	0.4
83.05029	2.8
84.02187	0.3
85.02959	1.2
87.00887	0.8
89.02462	2.0
95.01404	0.5
97.02967	0.4
99.00908	0.3
101.02459	2.3
106.71265	0.3
110.68327	0.3
113.02506	1.4
115.58736	0.2
119.03538	0.6
135.08231	0.6
145.05070	0.7
161.04605	1.0
163.11292	2.3
165.12843	1.1
191.10806	0.5
209.11839	74.4
209.78195	0.4
210.12170	5.7
212.75235	0.3
227.12900	8.2
228.13240	0.9
228.84898	0.4
235.08250	5.5
236.08447	0.4
253.09299	9.5
254.09474	0.3
277.21732	100.0
278.22058	11.3
383.34656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30529	0.1
58.00612	0.2
59.01386	2.8
61.37774	0.1
61.98851	0.2
68.89755	0.2
71.00993	0.2
71.01382	2.9
72.99319	0.2
73.02946	0.6
80.02682	1.1
81.03459	1.2
83.01419	0.3
83.05035	3.8
83.05511	0.3
84.02194	0.6
85.02959	0.7
85.19597	0.2
85.89165	0.2
87.00887	0.3
89.02455	1.4
95.01435	0.1
95.05055	0.5
97.02958	0.2
97.06641	0.2
101.02455	2.2
109.06615	0.4
112.16621	0.1
113.02467	1.2
113.06036	0.2
119.03526	0.6
125.02562	0.1
125.06123	0.5
135.08200	0.5
143.03537	0.2
145.05061	0.3
147.11818	0.2
152.99728	0.2
161.04562	0.9
163.11305	2.8
164.11635	0.3
164.31444	0.2
165.12863	1.7
179.05647	0.4
181.12367	0.5
191.10765	0.6
199.13409	0.3
207.10289	0.6
208.10580	0.4
209.11850	100.0
210.12195	6.3
225.11314	0.5
227.12914	12.3
228.13171	0.7
233.22444	0.2
235.08247	3.3
251.12924	0.2
253.09308	9.7
254.09702	0.4
259.20660	0.2
276.20532	0.2
277.21741	77.9
278.22089	9.1
279.22540	0.4
445.20865	1.0
723.43005	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33435	0.2
55.01886	0.4
57.03425	0.4
58.23495	0.3
58.93260	0.3
59.01379	4.8
59.89446	0.4
59.89708	0.5
60.16276	0.3
61.98794	0.3
69.00054	2.4
71.01382	3.7
72.99300	0.3
73.02963	1.1
78.95909	0.3
80.02676	0.6
81.03461	0.9
83.01427	0.4
83.05038	3.6
84.02161	0.5
85.02963	1.1
87.00902	0.9
89.02451	1.7
95.05019	0.6
101.02456	3.3
109.06607	0.7
113.02452	2.5
119.03510	1.1
125.02447	0.4
125.06106	0.7
135.08180	0.5
145.05116	0.8
145.13016	0.3
152.99626	0.7
161.04558	1.7
163.11296	2.9
165.12837	2.0
174.19626	0.3
181.12405	0.5
191.10875	0.6
191.84578	0.3
199.13425	0.9
207.10258	0.5
208.10692	0.4
209.11839	84.7
210.12186	6.4
225.11237	0.4
227.12900	10.7
228.13309	0.8
235.08218	4.3
253.09300	9.6
254.09636	0.9
259.20938	0.4
277.21732	100.0
278.22089	11.7
279.22482	0.3
415.14850	0.3
445.21021	0.6
469.14484	0.7
513.31134	0.4
569.54260	0.3
705.36102	0.4
723.41833	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.0
58.00599	2.0
59.01383	33.6
61.98819	3.4
66.82841	1.6
71.01388	32.2
73.02945	6.3
78.95905	17.1
83.01398	3.9
83.05035	4.1
85.02964	10.4
87.00896	6.0
89.02448	23.7
95.01407	2.2
97.02972	3.8
98.21764	3.3
99.00906	1.8
101.02439	25.8
109.06643	1.8
113.02444	12.9
119.03483	7.6
125.02439	9.7
127.04062	2.1
129.65662	1.9
131.03409	1.9
138.04539	1.5
143.03510	3.3
152.99594	24.6
161.04543	4.7
163.11293	3.2
165.12785	2.4
171.00595	2.4
171.10292	19.0
175.17487	1.8
178.44226	1.8
179.05586	3.9
199.09894	3.0
199.13414	4.2
199.93800	1.8
207.10318	5.0
209.11839	64.4
210.12183	28.7
211.12440	2.9
221.06671	2.0
225.11374	10.3
227.03329	2.2
227.12924	18.3
228.13184	7.6
233.08327	1.9
235.08264	16.6
253.09348	9.7
253.21750	5.8
254.09669	2.5
277.21741	59.7
278.22104	52.3
279.22641	3.3
283.26443	78.8
284.26764	7.4
305.08939	3.0
361.10779	2.2
364.69473	1.8
397.13516	100.0
398.14218	8.8
399.14252	7.7
415.14529	31.8
416.14999	5.0
453.15161	9.5
471.16339	12.7
635.35254	3.6
689.36395	4.8
707.37500	19.2
725.39325	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84179	0.7
59.01394	1.0
63.02387	0.8
65.00352	0.9
67.23846	0.8
69.40630	4.2
69.41040	1.6
74.37312	0.7
75.15022	0.7
76.52573	0.7
83.01376	0.7
93.03459	1.8
107.01405	2.2
109.03006	0.8
123.04491	0.9
132.02185	1.5
135.00887	1.7
151.00400	4.4
162.57999	0.7
178.99852	1.5
185.06071	1.2
187.04034	1.6
191.05707	3.8
191.07230	0.8
211.04025	2.4
213.05611	0.8
227.03519	41.2
228.03902	4.2
229.05084	2.3
239.03622	0.9
245.09502	1.0
255.03011	79.4
256.03491	10.1
257.04572	3.0
283.02737	1.3
284.03293	100.0
285.03940	26.3
286.04666	1.1
293.60736	0.9
399.76642	1.0
423.39417	0.9
512.52747	0.9
525.38715	0.9
544.46179	1.0
575.14185	1.2
725.19403	75.5
726.19788	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44270	2.3
59.01362	5.7
61.98835	100.0
71.01383	3.6
82.95419	2.6
85.02970	2.2
87.00876	3.0
96.96049	3.8
101.02439	2.7
111.53490	2.0
118.73470	2.2
199.09674	2.9
203.07126	2.6
207.10272	4.8
209.11845	32.7
210.12105	2.9
211.13440	25.9
216.97598	2.3
225.11284	5.1
227.12875	12.9
253.09203	5.1
285.69672	2.3
306.72614	2.2
364.51694	2.3
447.22296	2.7
503.33041	2.8
624.60834	2.3
725.34918	9.0
726.35748	3.0
755.51361	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81921	2.9
59.01386	23.3
61.98822	12.0
64.08636	3.1
69.03450	4.4
71.01369	6.4
71.32406	4.7
99.04519	6.8
101.02460	4.5
111.08141	3.6
169.12328	8.3
171.10332	4.1
194.20502	2.7
195.13959	5.9
197.02231	12.3
197.09969	4.2
197.11836	84.2
205.12323	5.8
223.13412	75.3
224.13689	7.5
235.08382	4.1
253.09235	11.7
264.00525	3.3
291.19647	7.6
309.20737	19.4
310.20944	3.1
361.28964	3.5
459.22491	9.7
460.51047	3.9
467.31754	35.7
468.31961	8.0
527.33789	100.0
528.34003	23.3
675.66461	3.2
725.36865	29.3
726.37128	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44901	1.6
57.03421	3.1
59.01387	7.2
61.98835	41.1
62.96242	1.6
71.01381	5.6
77.22614	1.5
78.95908	2.6
85.02928	2.1
89.02471	1.9
97.06560	3.3
101.02464	6.3
108.79585	1.7
109.82577	1.5
113.02459	2.2
151.11319	15.7
169.12366	55.6
170.12660	3.9
171.10306	28.9
188.77077	1.6
191.05675	2.0
195.10287	3.5
195.13905	6.9
196.14789	2.1
199.82140	1.7
209.11880	3.0
213.11282	8.3
223.13406	4.2
235.08293	3.3
253.09317	9.6
275.20285	5.0
293.21283	40.7
294.21652	3.5
305.14218	1.7
305.90558	1.8
338.79730	1.9
389.48907	1.7
449.20761	2.3
542.33527	1.7
711.14960	2.0
725.41229	100.0
726.41296	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26326	0.2
59.01373	0.2
61.98835	100.0
62.98528	0.2
63.67028	0.2
71.01385	0.3
71.32427	0.2
72.92280	0.2
83.01408	0.7
85.02966	0.3
89.02473	0.2
101.02438	0.2
108.02222	0.5
109.03048	0.3
121.02995	0.8
122.03306	0.2
125.02502	0.4
130.56866	0.2
137.02484	0.4
161.06120	0.2
163.51836	0.2
191.05887	0.3
209.11911	0.5
227.13074	0.4
261.06702	0.2
272.43729	0.2
276.73682	0.2
289.18951	0.2
298.11472	0.2
326.11472	0.3
327.11563	0.2
364.66214	0.2
369.09735	1.0
370.10208	1.7
371.10339	1.8
372.10684	1.3
386.39474	0.2
410.23514	0.2
641.69617	0.2
726.29767	0.3
727.33911	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71407	3.6
54.08791	3.2
61.77259	3.8
61.98827	10.2
69.94291	11.9
75.79392	3.1
76.29325	3.5
85.79772	3.7
109.02946	4.2
118.96291	3.4
121.02962	100.0
122.03306	4.8
125.02473	12.0
137.02461	7.3
148.08012	3.2
163.03842	3.5
165.01945	7.2
168.61070	3.2
168.69601	3.0
177.01926	13.5
193.09874	3.1
216.92766	3.7
267.89047	3.3
277.99319	3.4
289.07208	9.0
298.89883	4.0
521.18274	11.2
541.18744	5.7
613.78198	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93781	1.2
59.01382	3.2
60.58265	1.4
61.05315	1.3
61.98824	3.2
69.06179	13.2
71.01367	4.0
81.88429	1.3
83.05014	1.7
85.02964	2.3
89.02431	1.5
91.92131	1.3
98.21970	5.9
101.02433	1.6
119.03535	1.4
121.02958	2.0
123.61811	1.2
125.02460	1.6
161.04572	1.7
163.11275	3.0
171.10422	1.4
173.04385	1.3
191.05675	7.0
201.11325	26.0
202.11734	1.5
209.11838	100.0
210.12187	6.1
227.12886	26.2
228.13223	1.5
233.08321	1.4
235.08203	5.6
236.00433	1.5
253.09286	12.4
319.75507	1.5
393.22894	1.5
437.20325	3.3
445.20755	12.6
629.31665	2.5
638.33899	1.6
648.82599	1.5
655.34387	1.5
669.97034	1.6
673.34888	1.6
727.33301	19.9
728.34137	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.8
59.01389	1.6
61.98833	100.0
62.98537	0.3
71.01423	0.3
82.95432	0.9
84.95139	0.5
85.00452	2.0
85.02965	0.4
89.02494	0.3
99.04556	0.5
101.02489	0.5
103.01555	0.4
109.06644	0.4
130.39894	0.3
137.02490	0.3
147.14262	0.4
157.39178	0.3
171.10329	0.5
191.90623	0.3
197.11882	0.6
209.11890	1.4
211.13377	0.7
221.12029	0.4
225.11375	0.5
227.12997	0.6
239.12894	0.4
253.09462	0.4
316.27518	0.3
340.78815	0.3
383.29803	1.5
384.30042	0.5
401.30679	0.6
423.32864	1.0
441.34030	1.4
459.34689	0.6
485.32999	1.1
503.33823	29.0
504.34064	6.0
504.40518	0.5
545.35223	0.7
549.17572	0.4
665.39136	7.6
665.50012	0.6
666.39240	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38029	0.3
57.16869	0.4
69.20265	2.4
69.40911	0.4
71.01386	0.5
73.75121	0.3
75.45963	0.3
85.02962	1.4
87.00901	0.6
93.03475	2.0
95.05051	0.3
111.04531	1.0
113.39845	0.4
121.02954	0.7
125.02501	0.7
127.04002	1.0
133.02966	1.6
134.03752	11.8
135.04546	22.0
136.04871	1.3
136.98541	0.4
137.02406	0.8
155.03481	0.6
161.02440	4.5
173.04529	2.6
175.02547	0.8
179.03513	22.7
180.03807	0.9
189.01707	12.0
190.02045	0.8
191.05666	2.9
201.01758	39.1
202.02124	2.3
215.03297	1.5
216.98947	0.5
219.01379	0.5
243.02837	0.6
269.03394	0.5
279.27341	0.4
298.27774	0.4
329.98767	0.3
353.08536	0.9
357.05511	0.6
375.06976	100.0
376.07352	11.7
377.07300	0.4
391.04416	0.9
437.29218	0.3
578.15247	0.4
711.14435	0.6
729.14899	2.6
730.15070	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
67.01855	0.5
71.01364	0.4
85.02957	3.4
87.00889	1.5
93.03471	2.9
100.74780	0.4
109.02960	0.6
111.04515	1.3
119.05019	0.9
119.95676	0.4
121.02978	0.7
125.02411	0.6
127.03996	0.7
133.02953	4.0
134.03760	5.8
134.84357	0.5
135.04539	26.3
136.04875	1.6
136.98564	0.9
137.02480	0.9
155.03474	0.8
157.05148	1.0
161.02448	13.1
162.02773	0.9
163.03966	0.8
173.04561	1.3
179.03502	22.5
180.03865	1.0
189.01729	4.3
191.05623	28.9
192.05969	1.3
200.99825	0.9
201.01707	14.2
202.01973	0.8
215.03290	0.8
216.99078	0.7
353.08560	2.1
375.06989	100.0
376.07343	11.2
376.11832	0.9
391.04358	4.0
392.04623	0.9
409.73862	0.5
567.13062	2.3
692.45514	0.5
729.15009	3.0
730.15704	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.3
67.14237	0.2
71.28855	0.2
72.99300	0.4
75.00871	0.6
76.41418	0.2
76.93108	0.2
92.07502	0.3
93.03448	0.3
98.58250	0.3
99.92592	13.2
100.92608	0.8
114.00716	0.2
114.93440	0.3
116.92871	100.0
117.01936	0.4
117.92886	6.0
137.02470	1.2
177.71222	0.2
182.19383	0.2
200.74876	0.2
244.83109	0.2
282.09552	0.2
406.75186	0.2
577.16382	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2558
Annotation	threo-Carolignan E
Peak:m/z	Relative Intensity
52.38014	0.7
70.64240	1.2
70.64577	1.4
89.03985	1.7
93.03519	1.0
94.77251	0.8
95.05059	0.8
99.92577	5.3
116.92873	48.2
117.03465	3.5
117.92910	3.7
119.05033	1.0
121.02961	2.5
123.04565	1.3
131.52325	0.7
132.02196	8.4
133.02977	10.8
134.03758	100.0
135.04597	14.0
136.01678	2.4
137.02464	10.6
139.04039	3.0
145.02951	1.1
147.04541	2.2
148.05287	4.1
149.02454	1.0
149.06104	20.0
150.03226	2.7
150.06429	1.3
151.03955	1.4
153.05534	1.1
160.01683	23.7
161.02473	6.4
162.03247	2.5
163.04034	1.7
165.05637	1.5
175.04022	36.7
176.04391	1.8
178.02739	33.9
179.03499	14.6
180.03958	1.3
192.04311	2.7
193.05077	81.9
194.05405	5.1
207.06604	1.8
208.06332	0.7
341.06543	1.0
342.11060	7.8
343.11826	3.3
353.10458	2.6
356.12784	1.7
357.09198	1.5
357.13458	20.2
358.13770	2.3
371.11179	1.3
383.14996	1.0
397.13092	2.3
411.14459	1.5
503.17096	11.9
504.17538	1.6
505.18805	1.9
517.18774	2.1
553.21002	7.8
554.21039	1.4
723.21704	0.9
729.25604	31.5
730.25885	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56772	1.0
55.01860	1.3
55.07270	1.1
58.00593	3.0
59.01386	79.2
60.01704	1.2
71.01390	49.4
72.01740	1.2
72.99314	4.0
76.17917	1.2
83.01410	3.3
85.02954	8.5
87.00880	3.3
89.02454	65.7
90.52169	1.1
95.01399	3.4
101.02451	25.8
113.02461	22.5
113.03192	2.0
114.02772	1.2
117.16084	1.0
119.03518	29.0
125.02433	2.5
131.03514	2.6
137.02524	1.1
139.26260	1.0
143.03506	7.6
144.66145	1.0
147.04539	100.0
148.04861	3.3
149.04532	2.0
161.04561	8.4
163.95934	1.2
165.62535	1.0
169.61943	1.1
174.07755	1.1
179.05626	31.5
187.37175	1.0
191.05623	3.0
193.05101	2.0
313.51257	1.2
327.10867	50.4
328.11322	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.5
57.03736	2.0
58.00589	2.8
59.01384	86.3
69.33884	12.7
71.01390	55.8
71.01746	1.5
71.79387	2.0
72.99290	4.7
85.02960	12.1
87.00888	3.2
89.02456	68.4
90.90079	2.1
95.01424	2.7
101.02453	26.0
110.88731	1.9
113.02457	18.9
117.83353	1.9
119.03510	29.5
119.05063	2.2
125.02466	6.7
131.03500	3.5
143.03519	6.7
147.04538	100.0
148.04868	4.6
149.04507	3.0
161.04559	6.8
179.05621	34.7
179.07104	1.7
191.05605	2.8
221.08224	5.8
223.06160	5.2
327.10892	55.0
328.11249	3.7
358.78235	2.6
401.14615	6.5
412.61011	2.1
633.43213	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28305	0.3
57.50392	0.3
58.76217	0.3
59.01384	81.2
60.01711	0.9
61.98816	0.6
68.22998	0.4
102.15707	0.3
114.99033	0.4
119.05045	1.7
121.02971	19.9
122.03333	0.9
151.03931	0.3
173.19553	0.3
186.48755	0.3
255.06688	1.0
271.02612	0.9
272.03265	0.8
286.04907	0.6
287.05670	0.8
290.07358	0.4
297.07828	0.8
300.06519	0.7
301.07260	0.4
315.08798	0.5
325.07254	0.9
326.07935	0.4
327.05115	8.7
327.08725	0.6
328.05655	1.2
332.07004	0.4
340.09338	0.8
341.10242	0.6
342.07446	6.4
343.08051	1.8
353.05017	0.4
355.11862	0.8
357.09833	17.9
357.13345	0.7
358.10431	4.8
359.05753	0.6
372.12180	1.3
373.12762	1.7
387.09595	0.3
387.14468	0.8
431.11203	0.6
445.13062	0.8
446.13400	0.6
449.15906	1.4
460.14944	0.6
461.16034	1.4
477.15558	7.5
478.15796	1.4
492.17902	6.0
493.18149	1.4
507.20267	100.0
508.20590	19.8
508.28354	0.6
558.83307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.8
61.98837	14.6
63.73786	2.4
69.03124	22.1
69.03521	6.1
71.01379	8.4
73.02951	3.1
83.05038	3.7
85.02929	2.4
89.02438	4.5
98.21735	4.1
101.02422	4.8
111.08161	6.8
115.12810	2.4
116.92915	6.0
119.45793	2.7
125.02485	12.5
125.09742	5.4
127.11301	5.8
131.69167	2.6
133.77734	2.5
137.02460	5.5
155.10799	2.4
163.11296	3.9
171.10225	3.7
173.04591	2.7
195.13873	7.5
197.11829	18.3
201.11346	100.0
202.11728	6.9
205.12337	3.5
209.11847	98.8
210.12138	3.3
211.13449	6.7
223.13382	49.0
227.12880	19.8
235.08133	4.2
253.09302	32.1
291.19705	13.3
309.20746	34.5
310.21149	4.4
379.15347	2.8
400.34775	2.7
437.20004	2.9
459.22168	4.6
493.31924	3.2
555.83466	3.4
596.25677	2.6
615.38501	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12632	44.8
53.63334	42.5
54.35452	51.7
67.30922	52.0
75.25189	48.4
98.22620	100.0
103.46658	53.4
127.04617	57.8
142.23218	49.1
169.22470	48.8
173.18669	50.5
191.35713	49.7
251.20425	51.5
654.00043	55.6
735.54156	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
71.22604	4.3
71.31910	5.8
71.35893	3.5
80.29696	4.1
96.96032	15.5
98.40576	3.9
99.70437	3.8
115.92071	6.6
116.92891	11.8
152.71654	3.7
164.25348	4.1
296.58673	4.3
497.92993	4.5
601.19696	5.1
694.31311	4.7
730.23694	100.0
731.23621	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
70.41393	0.5
71.01344	0.5
81.79923	0.5
83.05025	0.7
85.02945	1.4
93.03488	2.4
96.95976	0.5
98.22634	0.8
99.56298	0.4
104.47812	0.4
110.90278	0.4
111.04517	1.9
117.03472	0.4
119.05033	46.8
120.05364	1.9
125.02441	1.0
129.02007	0.5
135.04477	0.7
136.83508	0.4
137.02425	0.9
155.03535	2.5
163.04019	100.0
164.04370	5.8
168.06674	0.6
173.04567	3.8
191.05647	8.6
267.65912	0.4
278.06583	0.5
337.09311	31.7
338.09589	3.6
424.00742	0.4
606.47498	0.5
660.56885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82286	0.9
61.98836	100.0
71.30441	1.6
79.34825	1.0
95.70695	1.0
116.92799	1.0
145.90730	1.0
214.57330	1.1
286.11469	1.0
372.13852	1.2
587.17053	1.2
598.12769	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08820	1.0
61.98834	100.0
63.35722	1.1
64.50123	1.0
74.24564	1.0
139.12938	1.1
146.26031	1.0
200.13321	1.1
222.15370	1.4
223.71964	1.1
302.10693	1.2
326.44046	1.2
406.65689	1.2
613.88647	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82131	0.3
59.01375	0.4
61.98820	0.9
71.29407	0.4
71.67413	0.3
79.44906	0.3
81.02420	0.3
85.20257	0.3
86.18422	0.2
99.92593	13.3
100.92609	0.9
116.92872	100.0
117.92888	6.8
642.47760	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23131	1.0
51.30642	0.9
55.76853	1.1
60.99025	1.9
60.99309	19.2
61.98816	1.4
66.53574	1.1
79.81011	1.1
85.00442	10.5
86.00757	1.3
87.00879	5.7
88.98813	100.0
89.02451	18.1
98.21640	2.7
132.96513	1.0
177.87534	1.3
226.60675	1.2
230.46577	1.5
241.23413	1.1
347.12192	1.1
438.13364	2.6
467.13391	2.2
468.13837	1.4
481.15201	16.1
482.15744	7.4
497.18304	5.0
509.86874	1.4
514.14972	8.6
515.15094	2.3
518.17798	1.2
535.72302	1.1
540.16901	4.8
555.18866	31.6
556.19189	12.0
572.15350	5.1
573.15613	1.8
659.23633	18.5
660.23413	6.1
731.24536	1.8
741.83838	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.3
61.98826	4.8
70.48618	5.0
76.20214	2.3
78.72594	2.3
108.02168	4.3
121.02933	14.3
122.03725	4.9
123.04543	5.2
125.02413	2.8
134.03748	30.3
135.04482	4.6
136.01662	10.8
137.02452	4.6
147.04491	3.5
148.05284	4.0
149.02435	19.9
149.06097	10.1
150.03241	32.8
151.04030	9.4
153.38843	2.2
159.04594	2.9
162.03227	6.3
165.05553	31.0
166.06367	13.2
170.04546	2.4
177.05605	8.3
178.02710	22.9
178.05843	2.5
180.04308	4.6
191.07082	2.6
193.05080	70.7
194.05370	3.0
195.06631	29.5
201.05957	2.4
214.92566	2.3
221.06024	3.8
223.07701	2.5
233.06126	3.0
235.07800	3.9
237.05524	2.4
238.56772	2.3
239.07050	4.6
249.05542	4.7
250.06435	4.3
251.07115	13.7
262.06238	5.5
263.07239	4.4
264.07935	5.1
265.05087	3.2
267.06613	18.1
268.07300	3.1
279.06650	26.3
280.07053	3.1
282.09000	10.1
283.09711	8.1
293.08246	5.4
294.05835	3.0
294.08994	8.7
295.06171	4.3
297.11462	6.0
308.06918	2.8
309.07779	2.8
310.08536	4.0
311.05911	4.2
311.09311	16.2
322.08386	3.4
323.05643	12.5
323.09097	5.5
326.08154	5.0
326.11557	7.9
338.08041	15.3
341.10260	35.3
341.14035	13.5
342.10556	7.0
342.14441	3.5
353.10315	100.0
354.10715	11.9
404.93573	2.7
531.17169	3.0
595.21472	3.2
671.55225	2.7
701.26215	34.2
702.26300	10.1
713.26190	26.5
714.27063	6.1
731.27112	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30703	0.5
59.01381	1.0
59.65567	0.5
65.90144	0.4
83.50719	0.5
89.02425	0.7
93.03413	0.7
97.67300	0.5
98.21734	1.1
102.91187	0.5
113.02502	0.5
121.02980	4.4
135.04532	2.7
139.07739	0.6
144.91594	0.4
146.10074	0.5
149.02454	30.3
150.02754	1.6
151.03993	0.8
152.01141	5.3
163.04041	5.4
164.04810	25.7
165.01933	1.4
165.05145	1.5
167.03497	1.1
167.46619	0.4
169.05119	2.8
179.07141	9.1
180.07387	0.9
181.08644	0.9
183.06662	0.7
193.01422	14.5
194.01785	0.8
203.18787	0.4
208.03784	34.2
209.04121	3.1
222.72446	0.4
223.06129	100.0
224.06430	6.4
229.14571	0.5
265.07352	0.6
348.53851	0.5
385.11401	20.1
386.11642	2.2
562.63324	0.6
607.20074	0.6
647.12518	0.6
678.66754	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01722	1.0
61.98835	10.3
69.18628	1.1
69.19042	2.4
71.01423	0.4
72.99317	6.3
77.00993	0.4
82.05257	0.5
83.05025	0.5
93.03455	0.5
97.02997	0.8
97.06584	0.5
98.22472	0.9
99.04528	22.4
99.92600	0.6
100.04862	0.6
101.02450	0.5
109.02976	0.9
109.06622	0.5
116.92899	1.3
123.18900	0.4
125.02494	0.7
125.06113	0.5
137.06091	2.7
163.07698	1.1
171.10280	5.8
171.11633	0.5
191.05673	0.9
191.51295	0.5
197.11928	0.7
209.11969	1.4
227.12959	0.5
235.08266	0.6
253.09488	1.0
281.12015	0.6
294.09479	0.5
341.23450	3.5
349.03824	0.4
355.12134	0.4
356.12759	1.0
413.17377	0.5
431.18719	0.6
449.20135	0.7
483.20883	1.3
493.18668	2.7
501.21341	6.3
502.21927	0.7
511.19742	5.4
512.20526	1.7
529.20966	7.7
530.21655	1.6
547.22235	1.4
571.22107	3.5
572.22272	0.5
611.24890	0.5
629.26959	0.6
671.27063	0.7
753.54987	0.6
760.61176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52759	5.2
59.01380	5.4
61.98835	93.2
63.62310	4.2
68.89332	5.2
69.53901	4.8
69.81237	11.1
69.81612	12.5
71.22379	5.3
75.00883	50.5
84.58927	5.1
99.04551	6.2
99.92613	12.6
109.02993	4.8
116.92874	100.0
117.92894	7.1
148.56705	5.2
151.04044	6.8
171.10236	6.8
209.11824	58.4
227.12964	14.3
237.15105	6.1
249.14938	28.1
445.21298	5.3
448.97702	5.3
496.79306	5.5
537.78998	5.7
583.58978	5.3
723.33496	5.6
731.33997	13.8
737.27661	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38875	0.2
54.92241	0.2
59.01382	1.3
60.01732	0.2
61.98833	100.0
62.98541	0.2
69.08833	0.2
69.18095	1.6
69.23217	0.2
77.43504	0.2
116.56583	0.2
121.02968	0.3
175.95255	0.2
199.33997	0.2
421.16531	0.2
443.93573	0.2
447.50024	0.2
508.21030	0.6
509.21036	0.6
510.21225	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.2
61.98836	100.0
62.67573	0.2
71.01405	0.3
71.31192	0.3
88.98860	0.3
90.17266	0.2
95.17991	0.2
103.01524	0.7
121.03001	0.2
171.10345	0.5
183.13991	0.2
190.44624	0.2
191.05574	0.4
197.11922	0.4
207.10326	0.3
209.11856	2.2
211.13380	2.7
227.12854	0.6
253.09470	0.4
273.17291	0.3
291.19705	0.4
448.55560	0.2
557.84314	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78236	0.1
59.01395	0.7
61.98835	100.0
62.98549	0.2
70.95206	0.3
74.59194	0.1
103.01538	0.5
119.03524	0.1
155.30800	0.1
211.13394	0.2
274.29364	0.1
282.44104	0.2
324.44644	0.1
355.25574	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.1
59.01380	0.3
61.98832	100.0
62.98536	0.2
71.01402	0.1
71.31860	0.1
75.00841	0.1
83.05089	0.1
84.84672	0.1
107.01900	0.1
113.02384	0.1
161.05403	0.1
163.11385	0.1
171.10329	0.1
171.39822	0.1
209.11832	1.3
210.12175	0.1
211.13411	1.2
227.12956	0.2
253.09332	0.1
447.22659	0.2
587.21808	0.3
641.22809	0.5
673.26190	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	2.0
59.01385	27.4
61.98838	6.2
65.52957	1.5
70.04675	2.6
70.05057	1.8
71.01371	2.1
79.48827	1.5
84.00929	4.0
89.02477	1.9
98.22422	1.8
99.04524	3.7
101.02440	3.7
113.02454	4.4
113.09797	1.4
119.03501	2.6
125.02434	3.2
139.07654	6.4
161.04584	1.8
163.11375	1.3
209.11810	4.7
211.13484	2.1
240.52573	1.3
248.97635	1.3
289.07092	2.9
293.21231	5.0
447.93436	1.3
467.31631	44.8
468.31989	13.5
481.33261	2.7
509.33057	1.8
527.33820	100.0
528.34033	21.6
581.33685	1.4
629.36823	2.2
676.46997	1.8
732.40662	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.2
59.01377	61.4
61.05626	5.1
61.98827	17.9
63.17121	4.3
71.01405	9.9
71.31960	8.8
71.53922	4.5
78.95918	5.5
84.00915	8.2
85.00428	17.1
89.48880	4.4
90.10920	4.3
92.35609	5.1
96.96008	8.7
99.04555	7.9
101.02460	14.4
107.74297	4.8
113.02493	7.4
121.02919	12.4
123.04582	5.8
125.02445	12.0
161.04590	6.0
211.13348	12.1
289.07227	6.7
467.31641	100.0
468.32065	19.9
527.33844	92.3
528.34369	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.3
59.01387	12.1
64.99828	1.4
68.92274	1.5
69.85719	3.6
71.01381	14.9
73.02946	1.9
83.01363	2.4
85.02962	5.0
89.02442	8.3
99.00860	1.8
101.02444	12.1
109.02930	6.2
113.02439	5.5
119.03503	4.2
123.04549	5.8
125.02446	11.1
137.02444	4.8
150.40604	1.6
151.00560	1.9
151.04031	3.6
161.02458	3.4
177.01964	3.2
179.03514	2.0
191.05701	1.6
203.07245	3.2
205.05016	1.8
231.03151	1.5
243.02986	2.5
245.04536	3.0
245.08195	5.4
289.07196	19.1
290.07483	2.1
314.31839	1.8
443.19229	100.0
444.19684	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22332	1.4
61.98842	17.4
69.11743	9.9
69.12163	4.9
71.01384	2.4
93.03472	5.6
108.02191	2.8
109.02990	3.8
116.92951	1.7
121.02972	13.9
122.03764	16.3
123.00910	2.0
123.04559	4.7
125.02447	3.5
126.30801	1.5
133.02979	6.1
134.03755	8.3
135.04538	4.8
136.01672	3.4
137.02425	2.9
145.02969	4.2
146.03717	4.2
147.04562	5.0
149.02451	34.8
149.06078	4.8
150.03246	100.0
151.03937	5.4
159.04535	4.4
160.05283	4.0
161.06088	5.7
162.03217	2.9
163.04062	4.2
164.04781	10.6
165.02054	2.8
165.05585	82.8
166.06250	3.2
175.04005	2.7
175.07637	3.5
177.05597	6.6
179.07126	2.7
180.04318	5.5
180.07870	3.2
191.05621	1.6
195.06630	40.8
197.05917	1.8
207.06610	3.3
209.11894	4.5
223.09824	4.8
225.05528	1.7
227.13126	1.7
237.05620	2.1
238.06262	2.3
239.07185	4.0
240.04306	4.8
243.02921	2.4
249.05606	1.7
251.06879	1.7
254.05867	3.5
255.06546	4.6
260.87607	1.5
265.05075	2.3
266.05807	3.3
267.06641	7.0
268.07327	2.8
269.08182	5.8
270.08878	2.8
271.02509	9.6
280.07388	2.1
281.08191	6.4
282.08917	4.2
283.06586	2.4
283.09906	4.7
295.06146	8.1
295.09628	3.3
298.08508	5.6
299.02011	24.4
300.02484	1.7
307.09631	1.7
309.07916	2.1
310.08551	5.8
311.09238	4.6
312.10025	1.9
313.10858	7.1
314.11581	3.7
325.10770	7.5
326.11478	4.1
329.13983	6.3
341.14096	3.0
343.11966	10.8
355.11597	2.0
373.12909	4.7
415.14212	1.6
429.13220	2.5
445.16528	1.9
463.17346	1.6
474.16949	2.3
475.17578	3.4
477.19247	18.2
478.19730	3.5
489.19272	24.1
490.19504	3.3
505.18723	3.4
506.19843	2.0
507.20337	9.1
519.20233	12.9
520.20264	2.7
561.21033	1.9
573.21655	4.4
610.21002	2.2
625.24860	12.1
626.24506	3.2
637.24469	13.6
638.24286	2.6
649.24463	2.1
652.23114	2.7
655.25488	25.0
656.25464	5.9
667.25549	39.7
668.26099	12.4
673.26886	5.5
679.25079	4.3
680.26068	2.6
685.26538	19.2
686.26892	5.1
697.26648	6.7
703.27863	14.7
704.27936	5.1
715.27832	6.9
733.27405	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79429	0.7
56.95542	0.6
57.62702	0.6
58.13940	0.6
61.98815	0.9
71.30457	0.9
73.02943	1.8
75.00867	2.0
75.38591	0.7
77.17427	0.7
78.95898	0.6
80.96502	0.8
83.72234	0.7
84.92801	0.6
98.68156	0.7
99.00899	1.8
99.92593	11.7
100.92592	0.8
116.92872	100.0
117.01972	3.9
117.92863	5.9
165.02158	0.9
514.96130	0.7
521.89996	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82395	0.3
57.99331	0.9
59.01388	0.4
60.37015	0.3
61.98837	4.4
65.12151	0.3
67.21170	0.3
71.01381	0.3
74.10563	0.3
82.95441	2.6
84.00920	0.9
84.95130	9.6
85.00442	100.0
86.00780	1.7
98.21744	0.7
99.74024	0.4
103.92249	0.3
133.32773	0.3
195.23193	0.3
202.50255	0.3
209.11765	0.7
210.12480	0.3
334.30188	0.3
485.32834	0.5
486.33386	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30613	0.1
55.43842	0.1
56.82711	0.1
59.01389	0.4
61.98835	100.0
62.24637	0.1
62.98550	0.1
65.30245	0.1
69.40505	0.1
69.71638	0.4
153.99879	0.1
171.10271	0.1
209.11946	0.2
290.02713	0.1
302.54889	0.1
303.09970	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.97007	0.1
62.98538	0.2
69.08651	1.0
69.09064	0.2
87.24152	0.1
98.21756	0.3
109.37641	0.1
135.27769	0.1
151.61995	0.1
209.11900	0.1
372.47855	0.1
590.61035	0.1
697.71252	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
61.98833	100.0
63.55517	0.2
68.07919	0.2
69.06653	0.2
69.18060	1.7
88.45988	0.2
98.22639	0.3
116.92888	0.2
119.61608	0.2
197.11899	0.3
209.11903	0.8
210.12321	0.4
734.37286	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06255	1.9
55.17303	1.4
57.03445	1.7
71.01405	2.1
73.77204	1.7
85.02951	7.0
89.03947	1.5
89.97267	1.9
93.03487	4.4
95.66697	1.6
98.22597	6.2
101.04598	1.4
109.02998	2.4
111.04538	5.8
117.03498	4.1
123.04558	1.8
125.02448	4.7
127.04024	3.4
134.03752	100.0
135.04123	4.3
141.23521	1.8
149.02403	1.9
149.06097	5.3
153.04660	1.6
155.03543	1.7
159.04517	2.2
173.04543	7.1
191.05618	40.3
192.05954	2.1
193.05069	100.0
194.05396	5.5
223.06180	3.4
230.08369	2.5
317.51239	1.7
331.32535	1.8
366.62341	1.7
367.10339	34.0
368.10541	4.1
387.10815	9.3
424.70700	1.8
436.06345	1.5
526.29865	1.6
703.36401	1.9
735.20569	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90952	0.9
55.01875	1.0
57.03449	1.4
58.00588	3.4
59.01383	86.8
60.01691	1.2
63.61636	0.7
65.32595	0.7
67.87730	0.9
70.24869	0.7
71.01385	51.4
72.01732	1.8
72.76299	0.7
72.99310	3.9
73.02947	1.2
83.01399	2.9
85.02956	9.6
87.00894	2.5
89.02450	69.1
90.02755	2.0
95.01397	3.9
101.02447	25.3
102.02785	0.7
103.05535	1.2
108.57269	0.8
113.02460	23.5
114.02760	1.4
116.79050	0.8
119.03508	30.0
119.04826	1.2
120.03830	1.1
125.02441	1.8
131.03491	2.9
139.04140	0.9
143.03506	6.5
147.04530	100.0
148.04851	5.9
149.04601	2.8
161.04585	7.0
179.05623	29.8
180.05988	1.4
191.05647	4.3
193.05048	1.2
214.94615	0.9
223.06010	1.4
250.27898	0.9
297.55728	0.9
327.10873	54.4
328.11237	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01908	2.3
55.21281	2.3
56.41840	2.4
59.01378	37.4
61.98816	4.6
66.00985	2.5
71.01388	27.6
72.18034	2.4
73.02933	6.6
75.00870	2.5
82.95396	4.4
83.01421	2.6
85.02942	5.5
87.00887	9.5
89.02444	34.6
97.02954	5.1
101.02449	21.8
113.02454	12.9
119.03491	10.5
125.02450	10.2
143.03528	4.1
155.58966	2.3
161.04561	5.3
173.58943	2.7
179.05605	5.5
207.48897	3.1
235.08145	12.4
277.21750	68.9
278.22073	7.1
287.07809	3.7
305.08932	4.0
397.13544	100.0
398.13708	13.5
415.14526	35.9
559.71313	2.8
643.23730	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.7
59.01377	6.1
61.98837	100.0
69.49308	5.8
69.49709	2.4
71.01395	9.8
72.50484	1.1
73.02955	2.9
73.87400	1.1
75.59644	1.1
81.03443	1.7
83.01374	1.5
83.05044	2.6
84.02193	1.7
85.02963	3.4
85.20863	1.2
87.00896	3.3
89.02464	2.3
95.05067	1.3
97.02995	2.2
97.06629	1.2
98.21746	1.6
101.02450	3.4
107.44422	1.2
109.06601	3.2
113.02438	2.7
115.50748	1.1
116.67582	1.1
116.92844	2.9
125.02460	2.0
125.09714	3.3
127.11282	1.6
163.11316	3.6
171.08838	1.5
171.10292	26.3
172.10565	1.5
179.10829	1.3
181.12354	1.7
185.11783	2.0
197.11838	7.6
201.11316	12.1
207.10263	16.0
209.11856	30.7
210.12155	2.2
225.11362	17.8
226.11940	1.3
227.12955	3.0
235.08264	2.4
239.12898	6.2
253.09355	8.8
273.17099	43.7
274.17441	3.1
287.68439	1.4
289.38135	1.4
342.70428	1.4
367.68460	1.3
391.32095	1.3
455.37607	1.3
461.20255	2.7
717.36841	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01714	1.3
69.06147	3.8
71.01411	0.3
75.00880	1.4
103.00503	5.5
103.01502	70.5
104.01833	0.7
110.98621	0.3
194.85938	0.4
207.10316	0.4
223.09583	0.4
225.11293	0.8
291.19565	0.7
293.21158	0.5
358.81754	0.4
585.88916	0.4
735.38910	0.6
736.39655	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.23415	0.3
59.26397	0.3
60.01718	1.3
65.53324	0.3
69.80106	1.1
69.80515	0.7
75.00880	0.9
101.02431	0.4
103.00388	5.7
103.01505	69.2
103.77296	0.3
104.01254	0.4
104.01843	0.6
104.56315	0.3
109.06595	0.4
168.81606	0.4
207.10231	0.3
209.11876	0.6
291.19467	0.5
735.38690	0.4
759.93915	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85165	0.4
53.83236	0.4
57.03433	1.0
59.01382	7.6
61.98836	31.8
63.65087	0.6
67.59819	0.4
69.03467	2.5
71.01383	4.0
71.30698	0.7
73.02934	1.0
78.95916	0.7
81.03410	0.6
83.01341	0.6
85.02956	1.4
85.06609	0.7
87.00894	1.1
89.02446	3.1
101.02451	3.8
111.08170	0.5
113.02457	2.2
119.03539	1.2
124.78205	0.5
125.09743	0.4
143.03542	0.7
145.05084	0.5
153.09375	0.5
161.04567	1.9
167.10773	4.2
177.12863	0.7
179.05617	0.8
179.10788	1.9
179.14435	4.1
195.13924	18.9
196.14337	1.7
203.45222	0.4
205.12341	11.0
205.15936	0.6
206.12689	0.9
223.13403	100.0
224.13766	8.8
225.15001	0.7
235.08240	2.7
253.09300	16.5
254.09633	0.8
256.13071	1.2
265.21716	0.6
275.20160	5.9
276.20313	0.7
290.74057	0.5
293.21255	78.0
294.21561	9.1
459.22418	8.4
460.22867	1.3
499.34662	0.9
529.30457	0.7
735.43024	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.1
57.91472	1.0
64.56541	1.3
66.36872	1.1
69.03453	1.8
69.64369	7.3
75.90686	1.3
83.01376	8.7
85.02978	1.3
87.04977	1.1
91.87210	1.2
93.03463	3.7
97.02959	2.0
99.01939	1.2
102.03683	1.3
102.05610	2.4
109.02961	18.2
110.03265	1.5
110.44482	1.1
119.05021	6.6
121.02986	4.2
123.04533	10.7
125.02457	21.3
133.02930	2.7
135.04556	2.3
137.02455	90.4
138.02797	3.5
139.04024	3.2
149.02452	8.5
151.04008	9.6
159.04494	3.0
161.02448	26.9
161.06036	2.7
162.02888	2.6
163.04027	21.6
164.01193	3.9
164.04382	3.2
165.01949	3.5
173.04605	1.5
175.04002	5.5
176.01164	3.2
177.01927	6.5
179.03497	2.4
180.03787	1.3
187.04024	12.5
188.04652	3.6
189.01955	5.4
191.05637	4.6
197.06044	2.5
199.04021	4.4
200.04707	1.7
201.05627	2.7
203.03583	1.8
203.07100	6.7
205.01318	1.8
205.05113	6.5
213.05598	2.6
215.07132	1.3
224.04857	1.5
225.05707	1.7
227.03574	1.5
228.04269	1.8
237.05504	2.2
239.03513	4.1
240.04179	2.8
241.05083	5.6
243.03044	9.6
245.08173	8.4
255.02847	6.3
256.03766	1.3
257.04541	10.9
267.03021	11.8
268.03699	8.0
269.04623	7.9
281.04376	2.7
285.04083	5.6
287.05573	1.7
289.07178	26.9
289.10172	2.1
290.07556	3.9
295.02444	1.6
295.06003	1.4
297.04031	4.0
299.05585	21.0
300.02625	2.0
300.06052	3.5
301.07196	1.9
305.30396	1.3
311.47586	1.3
327.49979	1.3
337.09399	2.7
338.09607	2.4
399.01337	1.4
401.06854	2.7
407.07526	2.0
419.01971	1.9
419.07755	60.4
420.08142	9.4
437.08795	100.0
438.09113	16.2
441.37787	1.5
451.10504	12.1
452.10721	2.1
571.12939	1.9
583.82104	1.3
589.13525	44.8
590.14020	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51846	1.3
52.46176	1.2
55.29696	1.2
59.01374	1.4
61.98830	5.5
69.10523	9.0
79.18502	1.3
87.91279	1.4
88.98817	2.5
93.03463	52.2
93.04050	2.9
95.95937	1.2
97.02986	2.0
100.98060	1.2
101.61544	1.3
101.76463	1.3
103.48451	1.6
122.74406	1.3
137.02454	100.0
138.02794	3.3
157.70564	1.5
651.24634	3.5
693.25482	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67813	0.1
61.56824	0.1
61.98833	100.0
62.36549	0.1
62.98538	0.2
69.02468	0.3
69.02901	0.3
84.13658	0.1
98.21901	0.2
98.22592	0.1
99.00887	0.1
110.88548	0.1
112.13500	0.1
121.02964	0.6
171.10335	0.1
186.68927	0.1
191.03593	0.6
191.05692	0.2
192.03941	0.2
209.11908	0.3
447.07239	0.1
637.40826	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.4
61.98833	100.0
63.99279	0.2
70.95593	0.3
71.44751	0.1
87.00860	0.2
89.02473	0.3
93.03501	0.2
93.87103	0.2
111.51069	0.2
113.02496	0.2
116.92866	0.9
117.92932	0.2
155.08835	0.1
190.39771	0.1
191.05681	0.4
191.84294	0.2
209.11935	0.7
218.17703	0.2
289.04086	0.1
291.19653	1.0
292.20282	0.4
396.81622	0.2
397.13846	0.4
398.14032	0.2
405.09021	0.2
415.14877	0.2
503.99945	0.2
741.02527	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.4
61.98836	100.0
70.97964	0.3
71.01396	1.0
73.02945	0.3
77.53586	0.3
78.95914	0.6
79.63174	0.3
81.03551	0.3
85.02977	0.4
89.02463	1.2
97.03007	0.4
101.02467	0.6
105.59788	0.3
109.06629	0.5
109.15651	0.3
113.02457	0.4
125.02478	0.6
136.82463	0.3
137.62038	0.3
161.04541	0.3
163.11353	0.6
179.10680	0.3
191.05637	0.4
207.10266	1.7
209.11891	1.6
225.11319	5.1
227.13066	0.4
235.08331	0.9
253.09419	1.2
277.21866	1.2
278.22205	0.7
291.19754	1.1
293.21216	4.0
360.25275	0.3
397.13638	1.3
398.14096	0.7
443.19339	0.5
461.20587	1.3
530.33533	0.4
576.79822	0.4
632.54712	0.4
725.97388	0.4
737.41864	0.7
760.60553	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1731
Annotation	3-O-beta-D-Galactopyranosyl-ent-epicatechin-(2alpha->7,4alpha->8)-epicatechin
Peak:m/z	Relative Intensity
53.29464	1.2
57.03443	2.2
59.01378	1.8
60.53798	1.2
69.49001	1.4
69.89648	2.8
69.90031	2.7
70.95744	1.1
81.03480	2.5
83.01398	3.5
95.05038	2.6
98.22540	1.4
109.02988	6.5
121.02952	2.5
122.03776	9.8
123.04530	5.2
124.01673	1.7
125.02475	15.9
133.02968	2.6
137.02484	15.4
139.04024	2.5
145.02969	1.6
146.03740	1.7
149.02455	4.7
150.03183	1.6
151.04019	4.5
154.02806	2.8
159.04550	4.5
161.02469	19.0
162.03206	3.1
163.00441	3.5
163.04028	3.3
164.01134	4.2
165.01942	17.3
167.03531	5.9
171.04568	2.9
173.02417	1.4
174.03377	1.8
175.04060	8.8
177.01932	3.8
179.03558	2.5
181.04959	1.7
183.04536	1.6
185.06113	1.5
186.03250	1.5
187.04019	6.0
188.04893	2.0
189.01898	2.2
189.05482	1.9
191.03638	1.6
199.03966	11.0
200.04759	2.6
201.02003	4.7
201.05573	3.3
203.03513	4.0
203.07204	1.4
211.04022	2.0
213.05527	3.5
214.02901	3.3
215.03516	12.2
225.05666	2.1
227.03481	10.0
228.04108	1.8
229.01608	6.9
229.05045	22.1
230.02173	4.8
231.02985	7.4
239.03491	3.4
240.04276	2.8
241.05098	5.7
242.02260	14.2
243.02977	57.5
244.03702	11.1
245.04623	7.3
247.06062	1.6
255.03044	6.3
255.06340	1.4
256.03766	3.0
257.04572	7.2
258.04944	1.5
267.02875	3.0
268.03738	1.6
269.04474	6.9
270.01712	3.4
271.02484	82.7
272.02820	8.0
275.05630	2.8
282.01782	1.7
283.02478	3.8
284.03015	1.6
285.04013	7.2
286.04752	1.8
287.05615	3.7
289.07312	1.9
297.04123	1.8
309.04214	1.8
333.07602	1.5
351.09137	1.9
379.08640	1.8
391.08362	4.7
393.10239	1.3
394.06927	42.1
395.07376	6.3
407.07712	6.6
408.07764	1.7
409.09366	2.5
413.08554	2.9
437.08771	8.9
449.08768	7.4
466.48633	1.4
511.09308	1.4
531.12622	1.7
575.12366	11.9
576.12433	2.8
585.12360	2.6
737.17194	100.0
738.17560	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32580	1.5
69.48484	10.9
89.60361	1.6
106.20973	1.5
107.01322	1.9
151.00378	3.5
202.02715	3.6
203.03484	2.3
213.01836	2.3
215.03592	2.0
230.02180	11.8
241.01421	10.9
242.02187	28.4
243.02771	10.2
258.01691	27.3
259.02380	6.1
269.00974	3.6
270.01688	16.9
271.02463	7.4
272.03290	4.5
273.04041	32.0
274.01382	2.0
274.04517	3.9
286.01242	19.9
287.01974	8.0
287.05646	8.5
299.02103	3.1
301.03571	31.3
301.06784	2.8
302.04095	3.3
314.00742	2.8
315.01572	17.1
315.05081	3.6
316.02136	2.8
316.05853	5.4
329.03064	69.3
330.03693	25.9
331.04315	2.3
344.05392	63.3
345.06100	60.7
346.06485	5.9
516.06537	2.1
669.91742	2.2
695.17694	6.2
696.18481	2.4
737.19360	100.0
738.19696	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03497	0.9
59.01385	2.7
60.99315	11.3
61.18534	0.9
61.98835	100.0
63.99249	1.8
71.01392	1.3
72.92120	1.0
73.02972	1.2
78.95910	2.5
79.95715	1.0
83.77667	1.1
87.00897	5.8
88.00402	3.3
88.98814	58.6
89.02452	30.8
93.03485	1.8
93.71432	1.0
96.96022	11.4
98.22183	5.9
123.04519	1.1
148.90921	1.1
191.05678	5.5
207.61491	1.0
209.11839	4.1
225.14769	1.2
250.94174	2.8
737.30701	2.9
738.31696	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21085	0.7
57.03423	1.1
59.01372	3.9
61.98837	41.5
63.96212	1.4
68.68289	0.8
69.03466	1.1
70.27281	0.8
71.01389	10.9
71.20132	0.7
71.32348	1.3
72.99300	2.8
73.02942	3.5
78.98618	5.7
78.99028	1.1
79.95736	14.9
80.96524	86.3
85.02962	6.4
87.00883	5.9
88.98814	1.0
89.02483	2.1
93.03472	2.5
94.98096	20.1
96.96023	1.7
97.02959	2.2
99.00916	1.0
101.02457	4.6
106.98093	3.1
109.02957	1.6
113.02451	2.1
121.02980	1.4
122.97587	3.7
125.02447	7.1
134.97620	6.4
135.04488	1.0
136.99162	1.9
137.02444	2.1
145.02980	0.9
148.99162	7.1
151.04015	1.3
152.98625	6.7
161.04529	1.2
164.98642	17.5
165.00027	1.2
169.12286	2.0
171.10265	1.4
173.04530	2.7
184.83867	1.1
189.87267	0.8
191.05638	15.4
197.11807	2.4
206.99701	2.5
207.10297	1.2
209.11833	11.7
225.00745	28.6
227.12755	1.6
255.03082	1.4
269.04724	1.2
283.04974	1.4
289.07266	1.5
296.02869	1.0
299.01935	1.1
317.39987	1.1
407.07632	2.1
505.20416	1.0
509.17123	4.2
572.28558	1.0
659.55096	1.1
737.30597	100.0
738.30957	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.9
61.74710	0.5
61.98829	7.5
63.96237	1.4
69.03458	1.0
70.58669	0.8
71.01389	7.6
72.99351	0.5
73.02945	2.0
78.98595	5.9
79.95258	0.6
79.95743	13.3
80.96522	70.2
81.03468	1.0
83.05023	0.5
85.02979	3.1
87.00867	3.7
94.98089	16.7
96.96027	2.0
97.02968	1.8
99.00864	0.7
101.02431	2.6
106.98100	3.8
122.97560	4.1
125.02451	4.0
127.03994	1.0
134.97594	4.6
136.99146	2.7
148.99144	6.9
152.98657	6.4
163.11311	0.8
163.74025	0.5
164.98631	14.4
165.00032	0.7
167.00156	1.0
167.83302	0.5
171.10300	1.7
176.92392	0.5
181.11037	0.5
191.05707	2.0
197.11894	1.3
202.35527	0.5
206.99731	3.6
209.11874	7.1
210.12288	0.6
215.12778	1.0
225.00755	24.6
226.00964	0.6
227.12836	0.6
508.56647	0.6
509.16815	4.3
510.17502	0.9
737.30603	100.0
738.30927	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	1.2
59.01383	30.5
69.07054	4.6
69.07450	1.0
69.79260	0.5
71.01385	19.0
72.99297	1.8
73.02905	0.5
83.01422	0.9
85.02958	4.2
87.00874	0.6
89.02451	19.5
91.58075	0.5
95.01368	1.1
101.01816	0.9
101.02445	12.1
113.02440	6.8
113.09756	0.6
119.03512	8.4
125.02389	1.0
127.07732	0.5
131.03529	0.5
131.07159	1.2
133.02823	0.7
136.86072	0.5
141.09273	2.9
143.03574	0.7
159.10266	1.4
165.01970	0.9
167.64690	0.5
173.04578	0.5
175.03998	1.7
179.05591	1.4
182.26469	0.5
182.48531	0.5
183.54297	0.5
191.05626	1.8
297.04260	0.6
321.15546	100.0
322.15887	10.2
501.15515	1.2
519.16577	1.1
737.21014	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66024	2.5
59.01379	4.6
60.42418	2.4
61.98834	100.0
63.35744	2.4
69.16193	4.9
69.16601	19.8
71.01372	3.3
75.76626	2.5
83.35738	2.7
88.98804	3.9
125.02468	3.9
191.05641	3.7
192.03476	2.7
192.98758	2.8
197.11800	11.4
209.11842	30.3
210.12245	3.5
223.13409	15.2
227.12836	3.1
253.09303	4.3
309.20752	3.8
351.19073	3.3
417.37723	3.2
459.22397	4.8
570.63062	2.8
651.34412	3.9
700.16650	3.4
737.35168	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.4
60.99311	15.4
61.98838	2.4
66.25012	0.3
67.86727	0.3
71.01392	0.7
79.95737	0.5
80.96524	0.4
83.05045	0.7
85.02970	0.5
87.00883	1.6
88.00392	0.9
88.98813	100.0
89.02452	8.5
89.99164	1.4
101.02465	0.7
109.06591	0.4
111.08178	0.9
116.63574	0.4
117.47403	0.3
161.04625	0.4
163.11313	1.3
171.10318	0.7
184.91826	0.4
185.11929	0.4
197.11852	3.4
198.12393	0.3
199.13341	0.5
207.10266	1.2
209.09846	0.8
209.11839	14.6
210.12263	1.2
211.13438	0.7
225.11369	2.0
227.13007	0.7
235.08241	0.6
250.94164	0.9
253.09277	2.5
263.20193	0.4
291.19687	2.8
293.21310	1.7
294.21823	0.4
309.20764	4.4
310.21115	0.6
430.54712	0.4
461.20383	0.4
660.77765	0.4
693.38495	0.7
719.40466	0.6
737.40668	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.396
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60437	0.7
59.01383	2.5
61.71618	0.5
61.98835	100.0
62.98549	1.4
63.99249	0.6
71.01392	2.1
71.31473	1.0
73.02971	0.8
79.95731	0.8
80.02695	0.9
80.96530	2.2
83.05039	2.0
85.02971	1.4
87.00898	1.4
96.96002	0.9
101.02483	1.1
113.02490	0.7
120.16148	0.5
121.06591	0.5
125.02486	1.3
135.08179	0.7
137.02399	0.6
161.04546	1.0
163.04100	0.6
163.11337	2.5
165.12839	4.7
166.26511	0.6
171.10306	1.0
173.04576	1.4
183.13905	15.7
184.14391	0.9
191.05629	5.7
208.30856	0.6
209.11841	55.7
210.12265	2.8
225.00912	0.7
227.12901	25.3
228.13306	1.4
231.09927	0.8
235.08305	1.8
253.09369	2.8
264.99289	0.7
342.09772	0.7
445.20880	1.1
485.98074	0.7
558.03540	0.7
562.59924	0.7
737.31354	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.6
59.01381	12.7
61.98824	4.0
71.01392	7.7
71.31802	2.4
72.68185	1.3
73.02937	2.2
81.03461	2.7
83.05003	2.2
85.02969	1.9
87.00901	2.2
89.02454	5.1
95.05053	1.3
97.02958	5.6
97.92953	1.4
101.02438	5.4
106.04275	1.4
109.06592	38.8
113.02469	3.1
121.06554	2.1
123.04534	2.3
125.02479	1.9
135.08173	3.3
142.02698	2.7
161.04584	2.8
163.11275	22.0
171.10150	1.9
181.12346	3.4
189.09221	3.6
195.14020	6.6
207.10277	100.0
208.10611	7.9
209.11841	16.0
211.13477	3.7
223.13391	5.7
225.11316	39.0
226.11681	2.9
227.12827	4.3
235.08231	7.0
253.09299	21.2
275.20190	5.3
291.19650	14.6
292.19949	2.5
293.21234	85.5
294.21527	10.8
299.14969	2.2
411.49460	1.7
443.19269	5.4
461.20404	15.1
462.20554	2.3
501.32956	1.7
719.40155	2.4
737.41284	34.7
738.40955	11.7
758.03674	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
57.03453	1.5
59.01382	8.8
69.03450	5.3
69.65113	2.0
69.65511	4.0
71.01393	9.4
71.05013	2.8
73.02966	1.6
79.09265	1.0
80.96542	0.9
83.05016	1.6
85.02961	1.6
87.00887	1.2
89.02450	3.6
97.06580	1.4
98.22500	1.1
100.52681	0.8
101.02438	5.4
113.02451	2.9
124.08849	0.8
125.09733	2.5
133.05112	0.9
151.11292	3.1
153.12875	3.0
161.09726	3.8
179.10805	6.3
197.11853	100.0
198.12219	6.5
205.08777	1.6
223.09808	3.2
241.10837	5.8
253.09293	3.3
266.78506	1.1
277.21759	31.1
278.22131	3.6
278.43790	0.9
459.19272	1.3
477.19901	2.9
699.74109	0.9
737.41248	95.3
738.41602	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10315	0.6
55.01869	1.2
57.03449	0.7
57.37312	0.6
59.01382	7.1
61.98827	1.4
63.25670	0.6
69.03468	6.0
69.21562	5.6
71.01385	6.9
71.05025	1.5
73.02944	1.4
76.39326	0.7
83.05022	0.6
85.02969	1.4
87.00888	0.9
89.02468	4.0
96.48671	0.6
97.06588	1.1
101.02439	3.6
113.02468	2.5
119.03480	0.7
123.08176	1.6
125.09724	2.8
130.29443	0.6
151.11333	3.5
153.12906	0.9
157.61713	0.7
161.04605	0.9
161.09709	4.5
169.12320	1.2
179.10785	9.4
197.11842	56.4
198.12164	3.5
216.49072	0.6
223.09770	1.0
233.22800	0.8
235.08273	0.8
239.58388	0.8
241.10841	3.4
253.09351	3.3
277.21741	70.5
278.22070	7.7
376.45682	0.7
387.43460	0.7
459.18881	1.5
477.19720	1.5
587.85590	0.7
693.47925	0.7
737.41229	100.0
738.41547	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03418	1.2
58.00593	0.6
59.01102	0.6
59.01378	8.5
61.98836	3.5
69.03449	0.7
71.01382	5.8
71.05019	0.7
72.99326	0.5
73.02942	0.8
80.02652	1.1
81.03471	2.3
83.01402	0.6
83.05042	6.1
84.02182	0.5
85.02924	1.8
87.00862	1.4
89.02451	3.7
93.03439	0.5
95.05019	1.2
97.02959	3.4
97.06584	0.6
98.83673	0.4
99.00885	0.8
101.02435	4.5
103.01506	0.6
107.05003	0.7
109.06602	14.3
110.03725	0.8
110.06953	0.4
111.04533	0.5
111.08181	4.3
113.02453	2.4
119.03502	1.0
121.06555	0.8
123.04494	1.2
123.08294	0.4
125.02418	1.0
125.06063	0.6
125.09708	0.5
133.13684	0.4
135.08177	2.0
136.05341	0.8
137.09726	0.7
142.02734	1.0
145.05109	0.5
161.04532	2.0
161.09731	1.3
163.11305	11.2
164.11644	0.6
165.12839	2.1
167.10757	0.9
171.10274	1.3
177.12823	0.5
179.05675	0.6
179.10799	1.1
181.12354	2.2
189.09311	0.9
191.10745	1.1
195.13916	5.6
197.11908	0.8
207.10280	39.6
208.10640	2.9
209.11839	100.0
210.12155	7.8
211.13443	0.6
223.13383	1.7
225.11327	18.1
226.11641	0.8
227.12874	14.0
228.13252	0.9
229.41844	0.4
235.08238	5.1
236.08591	0.5
247.20686	1.0
253.09302	16.0
254.09547	0.8
256.13043	0.5
273.18570	0.8
275.20239	2.2
291.19672	60.9
292.20023	7.3
293.21237	30.3
294.21451	3.0
299.14914	0.5
309.20798	0.5
391.25711	0.5
443.19128	2.2
445.21002	1.2
457.33182	0.6
461.20352	6.4
462.20834	0.8
483.31497	0.5
501.32544	0.7
524.62714	0.5
527.28687	1.8
551.73712	0.4
719.40381	1.3
737.41284	14.1
738.41595	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.9
59.01379	8.4
61.37719	0.8
61.98835	4.5
71.01388	6.0
73.02969	1.1
77.83810	0.7
80.02682	2.2
81.03471	2.0
83.05032	4.8
84.32389	0.9
85.02972	1.9
87.00875	1.4
89.02446	2.4
93.03452	0.8
101.02452	3.9
106.84172	0.8
109.02967	0.8
109.06617	4.8
111.08176	8.9
113.02464	2.5
118.44118	0.8
119.03551	1.0
121.28422	0.9
125.02425	1.3
125.06108	1.0
125.09714	0.8
161.04536	2.2
163.11307	6.6
165.12843	1.3
167.10818	1.5
171.10258	2.1
179.05527	1.0
179.10777	1.3
182.98112	0.8
191.10768	1.0
195.13905	5.8
195.76790	0.8
207.10283	12.8
209.11847	90.6
210.12241	5.9
211.13338	1.6
225.11348	7.1
227.12926	15.3
228.13226	1.4
228.94781	0.8
235.08295	4.7
247.20708	1.7
253.09311	15.0
254.09555	0.8
273.18570	1.3
275.20264	1.4
277.21558	1.1
291.19678	100.0
292.20038	10.9
293.21231	13.0
294.21478	1.5
309.20813	1.0
313.12616	0.8
443.19223	1.4
445.20834	1.0
461.20313	2.5
527.28381	5.2
719.39630	1.0
737.41223	6.5
738.40930	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00378	18.0
71.00727	14.0
123.82845	13.5
168.50851	12.4
177.13345	13.2
178.57822	11.4
209.11830	100.0
210.12270	14.0
227.12811	18.6
255.23343	47.3
277.21585	18.7
279.23486	22.2
313.55698	13.3
505.68616	14.6
709.67212	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	14.6
70.86393	7.1
70.86722	5.9
78.95897	10.5
95.17314	5.7
96.47845	4.9
128.49686	4.9
152.99684	6.5
173.86221	5.3
196.89502	17.7
209.11835	51.7
210.12184	6.6
227.12914	14.7
235.08176	12.6
253.09303	11.2
255.23308	100.0
256.23605	14.5
264.44983	6.6
279.23096	9.3
291.19891	6.6
292.09500	5.4
350.83643	5.6
383.07620	5.6
524.97070	7.2
737.41394	25.5
738.41718	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09418	0.3
57.87276	0.3
58.02992	0.4
59.01385	16.5
64.87621	0.3
71.23888	0.3
76.94462	0.3
79.68933	0.3
81.03468	6.6
83.05035	16.6
84.05363	0.5
98.21709	0.5
107.06190	0.3
108.04585	0.5
125.07219	1.2
141.64455	0.4
143.08304	0.7
158.37143	0.3
191.05670	0.5
207.15059	1.4
224.17677	2.6
225.16104	14.2
225.18350	0.7
226.16460	0.9
242.18729	0.8
309.21915	1.1
309.60400	0.3
320.14505	0.3
324.26572	0.7
332.37045	0.3
333.23047	0.6
341.29254	0.7
367.27249	1.5
433.32056	1.8
450.34546	1.4
451.32971	7.5
451.39343	0.4
452.33401	1.4
536.61041	0.4
550.43494	1.3
551.64502	0.4
565.44525	0.4
593.44012	0.7
659.48358	1.8
660.49017	0.6
677.49725	100.0
678.50043	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98433	14.7
61.98835	26.6
64.03127	11.5
80.41451	11.7
84.12414	12.7
225.07516	14.2
244.48526	14.5
279.23450	17.0
355.11853	22.4
463.74756	15.3
533.21747	100.0
544.90637	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.4
61.98833	100.0
71.31087	0.2
73.33028	0.2
73.92045	0.2
78.79474	0.2
80.91727	0.3
80.96531	0.4
82.95425	0.5
85.02982	0.2
88.98839	0.3
90.16438	0.2
96.96025	0.4
121.02996	0.4
125.02473	0.6
156.92839	0.2
161.05208	0.2
173.04552	0.2
187.30168	0.2
191.05746	0.6
209.11928	0.3
211.13405	0.8
223.13406	0.4
243.16077	0.2
248.13734	0.2
291.19778	0.2
337.09729	0.2
401.29288	0.2
428.57953	0.2
533.22162	0.2
739.32501	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.7
61.98835	100.0
69.12612	2.5
71.01398	0.7
88.98831	0.8
89.90262	0.2
101.02459	0.3
107.05022	0.3
109.02959	0.3
125.02453	0.8
132.30582	0.2
147.49762	0.2
151.04102	0.3
163.11366	0.4
171.10387	0.3
171.57463	0.3
197.11804	0.3
209.11833	7.5
209.13704	0.4
210.12354	0.3
225.11493	0.7
227.12872	2.4
235.08241	0.3
235.17191	0.6
253.09448	1.2
275.20370	0.9
279.23166	0.3
289.07358	0.3
291.19879	0.4
293.21271	2.9
294.21817	0.3
309.20908	0.3
564.66919	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.356
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98548	0.2
71.01368	0.2
82.82256	0.1
82.95419	0.2
98.22537	0.3
101.79005	0.1
109.02961	0.2
109.35372	0.1
125.01672	0.1
125.02424	0.6
137.02460	0.2
151.04037	0.1
171.10362	0.1
175.98053	0.1
179.47333	0.1
207.10306	0.3
209.11929	0.5
225.11336	0.3
227.13002	0.2
235.08319	0.1
273.17532	0.1
274.17578	0.2
294.49969	0.1
635.31348	0.2
653.31909	0.2
671.32520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.7
61.17497	0.1
61.98835	100.0
62.98544	0.2
69.07409	1.1
71.01389	0.6
80.02679	0.2
81.03460	0.2
83.01401	0.2
83.05019	0.7
89.02467	0.5
98.21792	0.2
101.02481	0.4
112.96822	0.1
113.02455	0.2
129.52328	0.1
161.04590	0.2
163.11317	0.4
165.12927	0.2
171.10320	0.2
191.10924	0.1
195.13919	0.7
209.11842	14.6
210.12297	0.3
211.13461	0.2
223.13475	0.6
225.11440	0.4
227.12892	1.9
235.08253	0.4
253.09323	2.1
275.20096	0.9
277.21863	0.2
291.19672	0.2
292.20184	0.2
293.21243	9.6
303.56122	0.1
309.20728	0.2
399.14172	0.2
547.81940	0.2
573.73431	0.1
638.27325	0.1
670.35895	0.1
738.41901	0.3
739.42242	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.9
57.05468	1.2
59.01392	1.7
62.13572	1.3
71.27721	1.4
73.01919	1.2
81.03463	1.7
83.01394	3.3
89.03983	2.9
91.01911	1.8
93.03471	1.7
95.01395	1.5
95.05022	3.5
97.02972	4.6
99.04590	1.5
105.03482	1.4
108.02174	1.6
109.02959	30.9
117.03445	1.8
121.02982	2.3
123.04538	12.6
125.02458	40.3
131.05061	1.5
133.02982	12.0
135.04564	3.5
137.02470	20.7
139.04008	3.2
147.04573	1.6
149.02490	6.6
150.03253	2.7
151.04028	11.9
159.04501	3.3
161.02452	31.6
161.06100	3.9
162.02945	1.9
164.01208	2.5
165.01926	3.6
167.03596	1.9
175.03976	3.7
175.07692	1.8
177.01945	100.0
178.02335	3.9
179.03548	4.2
187.04063	4.1
188.04796	2.7
189.01950	17.7
190.02657	1.8
191.03485	1.4
197.06038	1.4
201.05579	3.0
203.03531	5.1
203.07040	6.3
204.03949	1.4
205.01472	2.1
205.05107	6.1
211.03987	2.1
213.05548	1.8
215.03458	2.7
216.00636	4.6
217.01410	8.4
219.02962	2.5
221.08217	1.8
227.03496	8.3
227.07184	2.2
229.01405	4.5
231.02995	2.7
239.03497	2.2
245.04555	8.0
245.08026	8.1
247.06303	1.6
255.03036	2.7
256.03625	2.2
267.02960	1.4
269.04581	3.1
271.02353	1.3
281.04602	2.9
283.06027	2.1
284.03268	1.9
287.05640	13.6
289.07202	52.5
290.07492	4.5
295.02319	1.5
297.04068	2.2
299.05588	2.9
308.03397	1.5
309.04077	1.6
321.04144	5.6
325.03522	1.9
337.07089	1.7
339.05069	28.1
340.05515	2.6
341.06586	12.4
342.07211	1.6
407.07767	3.7
417.06387	3.0
433.09158	2.9
435.07312	11.3
436.07382	2.6
449.08801	16.6
450.09192	3.3
451.10333	17.0
452.10547	3.6
459.07382	12.8
460.07312	2.5
477.08228	2.4
503.09274	1.5
569.10919	16.7
570.10724	3.3
587.11963	21.0
588.12299	4.8
613.13464	2.0
629.12720	2.5
679.19434	2.2
739.16711	17.2
740.16669	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.3
59.01379	3.0
69.00393	13.5
71.01383	3.1
71.94675	1.3
81.03479	1.5
83.01386	3.4
85.02962	2.4
85.94660	1.3
87.00874	1.4
89.02484	2.0
89.03986	4.2
93.03465	4.2
95.05019	1.6
97.02959	4.2
105.03443	1.6
109.02962	25.8
111.04537	1.9
121.02965	3.1
123.00868	1.6
123.04505	9.8
125.02460	17.8
125.79164	1.5
133.02975	11.2
135.04544	3.6
137.02449	17.1
139.04031	2.1
149.02480	4.3
150.03210	3.1
151.04030	10.9
159.04530	3.0
161.02461	24.7
161.06100	3.7
162.03136	2.0
163.03995	2.2
164.01115	2.1
165.01941	3.5
173.04556	2.1
175.03992	3.9
177.01944	100.0
178.02309	6.1
178.68251	1.3
179.03511	4.7
187.04024	2.7
188.04828	2.3
189.01929	9.7
191.05606	25.3
202.06245	1.8
203.03487	3.3
203.07083	6.2
205.01482	2.6
205.05106	4.8
215.03592	1.9
216.00601	4.3
217.01379	5.4
227.03549	8.1
227.07103	2.2
229.01413	6.2
238.97644	1.6
239.03531	2.4
245.04433	2.2
245.08208	9.3
255.03032	2.1
269.04596	1.8
281.04529	3.5
283.02316	1.7
287.05548	10.9
289.07214	46.7
290.07565	5.3
297.04230	2.5
298.97302	1.8
299.05682	2.9
307.02576	1.6
321.04117	5.9
321.15506	4.2
322.15945	3.7
325.03397	3.9
337.07382	2.3
339.05106	32.9
340.05481	4.8
417.06055	5.1
433.08841	2.5
435.07166	15.7
436.07062	2.6
449.08823	16.7
450.09171	2.1
451.10214	8.7
459.07272	9.8
477.07840	3.7
569.11060	8.1
577.19342	3.4
587.12006	24.0
588.12335	3.2
629.12903	2.2
721.17206	1.9
739.16614	13.2
740.16772	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.6
59.01375	1.8
64.78225	1.3
69.08208	7.5
69.08622	4.3
71.01376	2.0
79.50413	1.2
81.03468	2.7
83.01391	4.1
85.02965	2.0
89.03991	2.5
93.03449	4.4
95.05019	2.7
97.02956	3.1
109.02960	27.1
121.02960	2.8
123.04538	9.2
125.02457	18.4
133.02971	9.1
135.04541	4.1
137.02444	20.9
139.04028	2.0
146.03732	1.5
149.02448	5.6
150.03189	3.2
151.04028	10.9
159.04477	2.7
161.02457	23.7
161.06053	4.0
163.04030	2.0
164.01237	2.5
165.01895	3.6
167.03419	1.6
175.04021	3.2
176.01155	1.5
177.01938	100.0
178.02278	5.0
179.03447	6.3
187.03992	3.5
188.04868	2.3
189.01938	9.8
191.05620	31.1
192.05887	1.6
201.05544	1.6
203.03532	3.5
203.07166	10.0
205.05052	6.3
216.00610	3.5
217.01401	4.3
227.03477	5.6
227.07272	2.6
229.01408	4.4
231.03055	1.6
245.04572	1.7
245.08189	12.5
269.04340	1.9
271.05884	1.5
281.04498	3.0
283.02692	1.3
287.05588	11.3
289.07217	57.9
290.07538	5.2
299.05466	3.6
307.02463	2.6
308.03259	1.6
321.03952	4.3
325.03403	3.4
337.09625	1.7
339.05099	33.5
340.05402	4.4
407.07623	3.5
409.09232	1.6
417.06152	3.0
433.09219	2.6
435.07294	13.0
449.08899	17.2
450.09073	3.0
451.10361	10.4
459.07230	8.0
477.08337	2.6
543.12500	1.5
569.10785	6.6
570.10986	1.6
576.58667	1.7
577.18829	2.7
587.12170	22.8
588.12183	4.0
739.16711	14.8
740.16992	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82436	1.1
57.03452	1.6
59.01372	1.3
67.99445	1.5
68.73109	1.3
68.97109	12.7
75.58026	1.3
81.03460	1.8
83.01392	5.9
89.03978	4.4
93.03497	2.2
95.05022	2.8
97.02995	3.5
108.02206	3.7
109.02963	28.8
111.64010	1.6
116.98447	1.3
117.03502	1.5
121.02984	4.2
123.04525	12.7
124.01688	1.6
125.02461	20.1
133.02972	13.1
135.04559	3.1
136.01657	6.7
137.02457	22.5
139.04033	3.8
149.02473	5.9
150.03220	5.8
151.04025	16.3
159.04556	2.8
160.05272	1.3
161.02460	28.5
161.06097	4.1
162.02911	1.9
163.00311	1.4
163.03964	1.9
164.01108	1.8
165.01941	3.8
165.05551	1.6
175.03995	4.3
175.07729	1.8
176.01180	2.3
177.01942	100.0
178.02310	5.2
179.03514	4.2
187.04019	3.6
188.04793	2.1
189.01920	11.0
199.03876	1.6
202.06367	1.7
203.03555	3.8
203.07133	7.4
205.01440	2.2
205.05096	6.0
215.03558	2.3
216.00620	2.6
217.01392	4.5
221.08133	2.3
223.07806	1.5
227.03511	7.5
229.01448	6.9
229.05020	1.7
239.03587	3.0
245.04498	2.4
245.08273	8.4
246.08441	1.7
255.03001	2.4
257.04623	2.6
281.04715	3.4
287.05646	12.2
287.09216	3.8
289.07214	52.9
290.07599	3.9
293.04669	1.9
299.05600	3.6
307.02429	1.7
308.03314	1.7
320.18271	1.3
321.04004	3.8
322.04196	1.8
325.03561	2.5
329.06815	2.3
337.07138	2.7
339.01324	2.5
339.05133	28.0
340.05490	2.8
407.07907	2.6
417.06210	5.1
433.09219	3.2
435.07208	15.0
436.07593	2.2
449.08676	19.7
450.08896	3.2
451.10254	9.4
452.10028	1.8
459.07220	8.3
477.08392	2.4
493.49084	1.4
543.13171	1.7
569.10437	7.2
587.11914	21.9
588.12610	4.1
629.12445	1.8
721.16846	1.9
739.16565	16.3
740.16827	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17456	1.0
57.03452	17.2
60.49499	1.2
69.32917	5.0
69.33324	1.6
78.33007	1.0
81.03442	1.4
83.01395	5.4
93.03480	1.5
95.05041	1.8
97.02962	3.1
98.21799	1.0
109.02961	13.1
117.03458	1.6
121.02943	2.9
123.04529	10.6
125.02455	100.0
126.02806	3.2
133.02077	1.1
133.02925	6.0
135.04553	2.4
137.02452	25.8
139.04039	3.1
147.04457	1.4
149.02449	4.5
150.03226	1.6
151.04008	9.9
159.04544	4.1
160.05389	1.1
161.02457	37.6
161.06105	2.8
162.03009	2.1
163.00398	2.2
163.04062	4.5
164.01208	4.3
165.01942	10.3
167.03464	1.2
173.06018	1.5
175.04066	6.6
177.01961	4.0
179.03528	3.1
183.04662	1.5
187.03967	3.7
188.04883	1.9
188.46515	1.3
189.01985	2.6
199.04065	2.1
201.05714	2.3
203.03470	1.9
203.07101	5.4
205.05093	4.9
211.04152	2.1
213.05486	2.9
215.03690	1.3
217.05011	1.6
225.05632	4.2
225.20064	1.0
227.03465	4.7
228.04250	2.7
229.05040	3.9
231.02953	2.2
241.05081	3.2
243.02992	6.3
243.06673	3.1
245.04500	5.7
245.08214	6.6
247.06114	2.1
253.05083	1.3
255.02991	15.2
256.03766	6.5
257.04486	4.1
269.04559	12.3
270.05029	2.0
271.06210	3.0
273.04056	3.5
281.04565	5.3
283.02429	2.6
284.03235	1.4
285.04056	4.6
287.05634	10.0
288.05972	1.6
289.07211	33.9
290.07516	3.5
299.05637	2.1
339.08820	2.2
381.09747	3.0
393.09784	2.0
407.07700	44.1
407.13123	2.3
408.08047	6.9
425.08875	4.7
433.08960	2.3
437.09039	1.7
439.10562	1.9
449.10745	2.4
451.12482	11.3
452.12326	1.6
461.10782	1.1
533.14722	2.1
541.11938	1.7
559.12384	4.6
560.12970	1.4
569.12976	13.4
570.13452	2.3
577.13507	8.7
587.14032	7.8
588.14240	2.0
613.15820	2.6
739.18872	17.9
740.19641	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	16.1
66.05191	1.0
69.69201	4.3
81.03446	1.4
83.01367	3.4
89.03961	1.3
93.03478	1.2
95.05024	1.3
97.02952	2.6
98.22500	1.8
109.02960	13.4
119.05018	1.0
121.02967	2.1
123.00879	1.3
123.04528	8.6
125.02459	100.0
126.02753	3.8
133.02972	5.3
135.04547	2.2
137.02454	12.7
139.04022	2.5
139.90202	1.0
146.03798	1.3
149.02478	3.6
150.03197	1.8
151.04012	6.7
159.04623	1.7
161.02458	38.5
161.06102	3.1
162.02975	2.1
163.00406	1.5
163.04001	1.7
164.01132	3.6
165.01941	6.4
166.02480	0.9
173.05984	1.4
175.04007	4.0
177.01947	9.9
178.02267	0.9
179.03587	2.2
183.04482	1.3
187.03992	2.4
188.04857	1.3
189.01942	2.0
189.05479	1.0
199.03932	1.7
201.05695	1.1
203.03400	0.9
203.07153	5.7
205.01454	1.3
205.05078	3.4
211.04128	2.4
213.05649	1.9
215.03464	1.4
217.01515	1.1
217.04936	1.3
221.08215	1.3
227.03560	2.5
228.04356	1.0
229.05112	1.5
239.03424	1.3
243.03000	3.3
244.03499	1.7
245.04623	6.3
245.08188	6.8
246.08490	0.9
247.06046	1.6
253.05046	1.6
255.03001	18.6
256.03671	7.1
257.04404	2.3
269.04559	3.1
281.04584	4.9
283.02377	1.2
285.04053	4.5
287.05658	14.2
288.06192	2.2
289.07199	35.2
290.07489	4.4
299.05646	1.0
339.08850	2.8
364.67044	1.2
381.09769	2.5
407.07761	37.4
408.08109	4.5
421.83899	1.1
425.08862	3.2
449.08960	1.4
451.11539	5.6
461.10947	1.4
533.14447	1.3
559.12402	3.7
569.12817	8.0
570.12946	1.8
577.13531	1.6
587.14075	8.3
588.13977	1.3
613.15454	1.9
739.18622	10.5
740.18768	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	14.5
59.01377	1.1
69.03457	1.6
69.31869	5.1
70.27767	0.7
70.56284	0.8
71.01370	1.2
80.70671	0.6
83.01390	8.1
84.41239	0.7
89.02425	1.2
93.03468	1.9
95.01347	1.1
96.96008	0.9
98.21698	1.3
102.43089	0.8
102.55347	0.7
109.02975	7.2
115.73454	0.7
117.03511	0.8
121.02972	1.9
123.04539	7.5
125.02456	100.0
126.02795	3.3
131.05026	1.1
133.02950	3.3
135.04535	2.2
137.02460	76.1
138.02817	3.4
145.02959	3.3
147.04491	1.0
149.02444	6.1
150.03250	4.7
151.04019	18.3
159.01672	0.8
159.04506	1.8
161.02457	20.9
161.06128	1.9
162.03061	1.0
163.00404	1.3
163.04013	3.7
164.01149	2.9
165.01956	4.2
166.02753	1.1
167.03468	1.3
175.04008	9.2
177.01976	6.6
179.03448	0.9
179.36969	0.8
185.05969	1.0
187.03961	5.5
189.02054	1.2
191.05653	2.2
199.04016	2.2
201.05673	1.6
203.03488	2.1
203.07208	2.4
205.05051	1.7
211.03972	1.1
217.05119	4.5
227.03690	1.1
228.04202	1.1
229.05019	4.9
243.03006	11.6
243.06650	1.0
244.03362	0.8
245.04469	4.1
245.08118	1.5
253.05200	1.0
255.02985	12.3
256.03668	3.0
257.04617	1.1
261.03897	1.1
267.02945	1.1
268.21527	0.8
269.04587	3.1
271.06171	5.2
273.04056	3.8
281.04462	0.9
283.02420	1.6
287.05594	6.8
288.02780	1.6
289.07184	4.4
297.04095	0.9
299.05621	4.5
313.09427	1.3
321.07800	1.1
389.06436	4.0
390.07031	1.0
407.07776	3.3
425.08673	3.6
451.12457	34.7
452.12881	4.3
543.14801	1.3
569.13055	25.9
570.13342	4.9
572.72717	0.9
587.14105	12.5
588.14386	3.0
613.15601	11.6
614.16302	2.6
739.18726	6.7
740.19391	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	16.0
64.90967	0.8
68.00751	0.8
69.03457	0.9
69.60748	2.7
78.13693	0.8
81.03469	1.6
83.01394	4.2
86.23653	0.8
93.03477	1.6
95.05027	0.9
97.02958	1.8
98.22504	1.2
109.02964	10.9
117.03429	1.1
121.02953	2.2
122.03771	1.1
123.04556	8.4
125.02457	100.0
126.02791	3.2
133.02940	4.5
135.04491	1.3
137.02446	14.7
139.04016	2.4
145.02992	0.9
149.02440	3.2
150.03261	0.9
151.04027	6.6
159.04480	2.8
161.02455	37.5
161.06085	2.6
162.03008	2.7
163.00340	1.1
163.04037	2.7
164.01155	4.2
165.01959	6.0
175.04001	4.2
177.01921	2.3
177.05589	0.7
179.03561	1.6
187.04001	3.5
188.04716	2.0
199.04013	1.6
201.05550	2.1
203.03578	1.1
203.07185	4.4
205.05072	2.5
211.04030	1.6
213.05585	1.5
217.05156	2.1
221.08084	1.0
225.05589	1.8
227.03545	2.2
228.04222	2.2
229.05019	3.0
241.05136	1.4
243.02969	4.9
245.04552	5.5
245.08150	6.0
247.06119	1.5
253.05081	1.1
255.02971	14.6
256.03735	6.8
257.04449	3.7
264.95917	0.8
269.04550	11.1
271.06226	1.2
273.04004	1.7
281.04550	3.7
283.02475	2.3
285.04065	3.2
286.04636	1.0
287.05661	10.4
289.07205	31.0
290.07501	1.9
299.05640	1.0
339.08795	2.9
381.09723	2.2
389.06613	1.3
393.10034	1.6
407.07712	45.1
408.08081	6.6
425.08737	3.0
433.09369	1.5
439.10611	1.8
451.12302	8.5
452.13193	1.0
533.14093	1.2
559.12445	2.5
569.13031	11.9
570.13184	1.9
577.13354	2.8
578.12988	1.1
587.13776	6.0
613.15521	3.4
739.18884	9.6
740.19281	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	14.3
59.43524	0.8
60.26900	0.8
69.55099	2.1
69.55485	2.5
74.58609	1.0
78.02198	0.9
81.03484	0.9
81.22159	0.9
83.01405	4.6
88.60439	0.9
89.03992	1.2
93.03452	1.6
95.05064	1.4
97.02957	2.3
99.79411	0.9
109.02969	11.1
112.77466	0.9
113.75769	0.9
120.18845	1.0
121.02950	4.0
123.04536	9.8
125.02457	100.0
126.02798	3.6
133.02954	5.0
135.04529	1.8
137.02449	18.1
139.04034	2.2
145.02921	1.2
149.02473	3.9
151.04025	7.0
156.67523	0.9
159.04482	2.9
161.02460	34.8
161.06055	1.3
162.03014	2.8
162.20309	0.9
163.00429	2.0
163.03983	2.5
164.01190	3.6
165.01942	9.4
167.03424	2.6
173.06007	1.1
175.04044	6.3
177.01935	12.6
179.03520	3.8
187.04021	3.3
188.04808	1.9
189.02089	1.5
200.04776	1.2
201.05722	1.1
202.06342	1.1
203.03511	1.4
203.07108	5.6
205.01494	1.1
205.05095	4.5
211.04128	1.8
213.05455	1.0
217.05017	1.3
221.08243	2.0
227.03503	2.3
228.04373	0.9
229.01741	1.0
229.05095	2.3
231.03062	1.1
241.05081	1.3
243.03043	3.4
243.06567	2.4
245.04506	5.1
245.08212	9.0
247.06227	1.3
255.02974	12.5
256.03625	3.9
257.04510	2.2
269.04581	6.5
270.05341	1.0
271.06094	1.5
273.04208	1.3
281.04700	2.4
283.02402	1.9
285.04013	1.8
287.05630	15.7
288.05872	1.6
289.07199	42.2
290.07550	4.2
297.04083	1.3
329.06686	1.1
339.05008	2.6
339.08768	2.5
341.06726	1.2
381.09824	3.5
406.06955	1.0
407.07703	37.4
408.08057	3.8
425.08826	1.3
433.09393	2.2
435.07220	1.8
439.10287	1.0
449.09113	3.0
451.11078	6.3
533.14893	1.2
559.12360	3.1
569.12860	8.0
570.13367	1.3
577.13324	2.6
587.13654	10.1
588.13794	1.9
613.15906	2.6
739.18292	12.3
740.18219	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03183	1.1
57.03453	14.8
64.89690	0.6
65.92185	0.5
69.03452	0.8
69.83504	2.3
74.14809	0.5
81.03454	1.0
83.01395	4.0
93.03486	1.0
95.01454	0.6
95.05048	1.4
95.64927	0.6
97.02982	1.2
99.89080	0.6
108.02147	0.8
108.77982	0.5
109.02965	10.3
109.03703	0.8
117.03477	1.3
120.02226	0.6
121.02961	2.3
122.03770	0.5
123.04535	9.1
125.02458	100.0
126.02789	3.3
130.04388	0.5
133.02951	5.6
135.04521	1.1
137.02461	18.0
138.02904	0.7
139.04031	1.5
145.02980	1.0
149.02457	3.3
149.80054	0.5
150.03258	1.7
151.04028	7.4
159.04543	1.8
161.02457	33.3
161.06091	2.3
162.02948	2.3
163.00351	1.6
163.04019	2.0
164.01183	3.0
165.01924	4.9
167.03532	1.2
167.81599	0.6
173.06111	1.1
173.46156	0.7
175.04030	4.2
177.01947	15.2
177.05453	0.8
178.02396	1.0
179.03525	2.0
187.04066	2.1
188.04689	1.4
189.01950	1.9
189.05589	1.5
191.03497	0.7
191.05682	0.6
199.03967	1.3
201.05553	1.4
201.37086	0.6
202.06400	0.7
203.03528	2.0
203.07169	4.6
205.01540	1.3
205.05103	2.7
211.04002	1.5
213.05600	1.7
215.03497	1.0
217.01521	0.9
217.05046	1.4
225.05609	1.1
227.03551	2.2
227.07141	1.0
228.04352	1.4
229.01396	1.0
229.05077	1.3
241.05098	1.0
243.02994	4.0
243.06667	1.5
244.03542	0.9
245.04593	4.1
245.08162	6.0
246.04951	0.7
246.08560	0.9
247.06161	0.9
253.05109	1.1
255.03011	11.3
255.05919	0.9
256.03683	3.8
257.04605	2.3
261.04108	0.7
269.04529	3.3
271.06210	1.9
273.04138	1.6
281.04565	3.0
283.02475	1.6
285.04059	2.1
287.05634	10.9
288.06107	1.0
289.07196	26.2
290.07507	2.7
297.04117	1.1
299.05780	2.0
321.04053	1.0
329.06808	0.8
339.05124	3.6
339.08890	1.3
381.09784	1.3
382.09631	0.6
389.06778	0.8
407.07733	24.1
408.07901	2.9
409.09268	0.7
417.06305	0.8
425.08801	1.6
427.31250	0.6
433.09430	0.7
443.16840	0.7
449.09232	1.9
451.12363	8.7
452.12689	1.3
459.07141	1.1
533.14508	1.2
559.12488	3.0
569.13037	9.6
570.13300	1.4
576.26147	0.7
577.13348	3.6
578.14233	0.9
587.13593	5.8
588.13971	1.6
601.15515	1.0
613.15491	3.3
650.83539	0.6
739.18579	10.3
740.18945	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82604	1.0
57.03447	13.6
59.01378	4.8
66.06723	1.0
66.91708	1.4
69.03449	1.8
71.01377	4.0
71.29143	2.2
72.89623	1.2
83.01394	8.0
89.02435	3.7
89.03956	2.0
93.03449	2.7
95.05058	2.2
97.02934	2.2
101.02475	1.6
109.02953	17.6
119.03458	1.6
121.02950	2.8
123.04527	8.3
125.02458	100.0
126.02780	2.5
133.02975	8.1
135.04550	2.3
137.02457	62.2
138.02791	1.2
139.04086	1.5
145.02994	2.9
146.03760	1.3
147.04518	4.9
149.02425	7.0
150.03241	4.2
151.04019	14.2
153.07262	1.1
159.04469	2.0
161.02467	29.1
161.06053	3.3
162.03098	3.1
163.03957	3.9
164.01147	3.4
165.01920	5.1
167.03500	1.4
173.06090	1.2
175.04008	6.4
177.01936	36.4
178.02354	2.3
179.03468	3.4
185.06039	1.3
187.03961	5.8
188.04825	1.6
189.01906	4.7
191.05565	2.2
199.03891	2.5
201.05603	2.1
203.03482	1.4
203.07129	4.8
205.05061	4.4
211.04060	1.3
217.01402	2.3
217.04990	3.3
227.03450	2.9
227.07150	1.7
229.01405	1.7
229.05093	4.1
231.02896	1.2
239.31192	1.4
243.02985	7.6
245.04494	4.6
245.08197	4.3
253.04987	1.8
255.02979	8.5
256.03662	3.2
257.04514	2.0
267.02878	1.1
269.04495	1.7
271.06137	3.5
273.03998	3.1
281.04443	1.9
287.05627	14.3
288.06030	1.7
289.07193	22.0
290.07654	1.7
299.05591	5.2
325.03522	1.5
327.10974	2.5
339.05136	8.3
389.06677	3.5
407.07745	5.2
425.08862	2.7
435.06998	4.2
449.08597	6.5
451.12506	22.8
452.12561	3.7
459.07120	3.2
569.12830	16.7
570.13031	2.8
587.13403	11.7
588.13666	2.8
613.15692	8.2
739.17798	9.6
740.17810	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2093
Annotation	Kaempferol 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
68.64190	0.8
70.57019	0.7
71.29646	1.2
72.42302	0.8
78.54709	1.1
83.01351	1.3
93.03474	1.0
107.01395	2.5
109.02970	4.4
123.04505	1.8
125.02449	5.2
135.00891	1.8
137.02464	2.5
149.02484	1.2
151.00343	4.0
151.04008	1.5
153.52332	0.8
159.04535	1.4
161.02409	3.9
163.00414	2.1
164.01166	1.0
165.01956	0.9
175.04062	1.2
177.01935	9.6
178.99829	1.8
183.04472	2.2
187.04065	1.8
189.01945	5.3
191.03600	1.7
194.42206	0.9
199.09772	1.0
201.05699	0.8
203.03618	1.4
203.07123	1.8
208.58954	0.9
211.03995	2.9
213.05611	1.0
215.03453	1.1
217.01468	2.3
227.03500	44.9
228.03862	3.1
229.05092	4.2
231.02988	1.1
239.03499	1.8
245.08139	1.3
255.03000	79.5
256.03519	9.9
257.04507	4.2
283.02554	2.4
284.03271	100.0
285.03928	26.4
286.04422	1.7
287.05576	1.9
289.07227	5.1
339.05072	1.6
341.06638	7.0
397.09103	1.3
407.07748	1.0
435.07614	1.0
451.10474	1.0
459.07626	1.0
473.10358	0.8
534.57361	0.9
575.14581	1.0
587.12189	1.9
588.12726	1.3
739.20923	65.3
740.21222	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
61.98835	100.0
71.01357	2.7
78.95905	2.5
80.91705	1.9
97.67951	1.6
97.77831	1.6
98.21954	8.7
109.06602	3.4
125.02455	1.8
163.11360	4.2
172.00342	1.7
191.05576	2.9
207.10258	12.2
209.11838	23.0
223.13557	2.0
225.11293	9.6
227.12901	6.8
228.80423	2.0
229.87691	1.5
253.09277	1.9
328.76929	1.6
371.64920	1.5
461.20374	4.0
605.67157	1.6
608.94434	1.9
635.30768	7.1
636.31305	2.6
653.31860	8.9
654.32758	1.9
671.32861	12.9
672.33197	2.9
739.32977	5.7
740.32928	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42706	1.5
54.22144	1.2
59.01387	1.6
60.99288	1.5
61.98832	100.0
70.54852	1.3
71.01384	3.7
80.96514	10.5
82.95414	1.7
85.02908	2.1
87.00883	2.8
88.98808	5.7
89.02484	1.9
94.98117	1.6
98.21713	2.1
119.03471	1.5
125.02453	4.8
151.04044	1.8
162.03062	1.5
163.11351	1.7
164.98671	1.5
207.10265	5.4
209.11800	14.6
211.32100	1.6
225.00739	3.9
225.11279	8.2
227.12976	5.0
229.36830	1.6
253.99240	1.4
357.92474	1.4
461.20258	2.7
553.50226	1.5
635.30627	3.1
653.31470	4.3
671.33032	4.9
739.32495	21.7
740.32739	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.9
61.46757	0.4
61.98879	0.4
63.80157	0.4
69.53510	0.3
71.01393	3.8
73.02945	0.6
80.02684	1.3
81.03458	1.2
83.01402	0.7
83.05032	5.0
84.02169	0.8
85.02982	0.9
87.00897	1.0
89.02440	2.5
95.01374	0.4
95.05029	1.0
95.89363	0.4
98.21727	0.7
101.02456	2.6
111.08154	0.4
113.02464	1.3
119.03534	1.2
133.05067	0.5
135.08182	0.8
143.03481	0.5
161.04547	1.6
162.49530	0.4
163.11284	3.1
165.12889	1.8
171.10255	2.2
179.05650	0.5
179.14450	0.8
181.12408	0.5
191.10786	0.8
195.13905	7.3
196.14603	0.5
205.12309	0.7
209.11845	100.0
210.12175	7.6
211.13469	1.0
221.88606	0.4
223.13385	4.9
223.80696	0.3
227.12901	10.3
228.13329	1.0
230.63326	0.5
231.21028	0.5
231.29738	0.3
235.08241	1.9
235.17043	0.7
253.09314	15.8
254.09656	0.6
256.13214	1.2
275.20160	7.9
276.20392	0.6
281.26074	0.4
293.21249	76.0
294.21588	9.1
308.84985	0.3
334.04266	0.4
372.88782	0.4
432.21082	0.4
445.20392	0.4
573.78638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.2
57.03445	0.4
58.00580	0.2
59.01384	3.0
61.98829	0.6
69.03477	0.3
71.01385	2.5
72.99320	0.2
73.02962	0.4
80.02689	0.8
81.03458	1.3
83.01395	0.3
83.05033	4.3
84.02187	0.7
84.05367	0.2
85.02954	0.6
85.89953	0.2
87.00893	0.6
89.02461	1.5
93.03481	0.3
95.05048	0.7
97.06623	0.3
99.00865	0.3
101.02457	2.4
107.05015	0.2
109.06593	0.3
113.02456	1.5
119.03516	0.6
123.08254	0.2
125.02468	0.3
125.06084	0.5
125.09718	0.3
126.83732	0.1
135.08154	0.6
143.03476	0.4
145.05106	0.2
147.11800	0.1
148.66991	0.2
161.04590	0.8
163.11298	3.8
164.11568	0.2
165.12856	2.0
167.10802	0.2
171.10275	0.4
175.10469	0.2
179.14371	0.2
181.12354	0.6
183.13878	0.7
191.10838	0.8
195.13908	2.7
196.14340	0.2
205.12454	0.3
209.11839	100.0
210.12170	7.2
211.13370	0.6
223.13383	2.1
225.11409	0.2
227.12891	11.2
228.13258	0.8
229.31705	0.2
235.08214	2.6
235.17000	0.2
236.08406	0.2
253.09305	10.6
254.09634	0.5
255.10033	0.2
256.13123	0.6
275.20169	3.3
276.20651	0.4
293.21240	37.3
294.21561	4.7
317.29144	0.2
445.20847	1.2
463.21597	0.3
470.20102	0.2
555.66315	0.2
670.35632	0.3
704.71179	0.2
737.36932	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.2
61.98835	100.0
62.98540	0.2
62.99263	0.1
64.80677	0.1
69.65218	0.3
69.65623	0.2
83.39510	0.1
90.63128	0.1
98.21824	0.1
113.38529	0.1
123.37045	0.1
144.43256	0.1
147.44656	0.1
152.55573	0.1
189.42845	0.1
280.24020	0.1
281.24100	0.1
291.22092	0.1
302.14746	0.1
399.14185	0.1
528.00916	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24878	0.1
57.68467	0.1
59.01385	0.2
61.98834	100.0
62.98543	0.2
71.32200	0.1
71.99387	0.1
83.05034	0.2
103.13048	0.1
128.83736	0.1
177.55524	0.1
191.05891	0.1
225.16176	0.1
539.76740	0.1
651.37488	0.1
678.50763	0.1
679.50793	0.2
680.50629	1.1
740.49347	0.8
741.49744	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.19
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
64.55585	0.5
65.00307	1.3
69.13091	3.5
71.24536	0.5
80.11333	0.5
83.01370	0.9
83.16227	0.5
84.18004	0.6
89.50060	0.5
90.98952	0.5
94.02033	0.5
98.22562	1.0
107.01376	1.5
108.02160	2.1
109.02956	1.8
121.02961	1.7
125.02448	2.9
133.02953	0.8
135.00858	1.1
137.02431	1.4
144.67192	0.5
148.01689	1.2
151.00380	7.0
151.03943	0.8
161.02443	1.5
162.02925	0.5
163.00340	1.2
164.01080	1.4
175.04053	0.5
177.01927	5.4
178.02271	2.1
178.99873	4.8
179.02351	0.7
183.04462	0.6
187.03842	0.6
189.01942	0.7
191.05666	1.0
199.04016	0.9
201.05440	0.5
211.04008	1.0
215.03610	1.2
226.02716	1.5
227.03433	3.1
243.02979	11.5
244.03386	1.1
245.04434	0.9
245.08289	0.7
254.02174	2.1
255.02991	29.7
256.03479	2.8
271.02487	61.7
272.02930	5.9
273.03894	0.8
283.02640	0.7
289.07101	2.3
290.07446	1.2
295.11951	0.8
299.01999	2.3
299.05185	0.5
300.02762	100.0
301.03323	15.7
341.05771	1.0
437.07831	0.8
451.09940	1.0
461.07565	0.8
571.11926	0.6
589.12250	1.1
741.18866	59.6
742.19226	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.3
65.31772	2.8
71.28829	2.7
80.08599	2.0
81.03461	2.7
83.01377	5.4
95.86748	2.1
97.02952	4.6
109.02962	25.8
121.02953	6.3
123.04536	16.5
125.02452	50.5
126.02763	5.8
135.04500	3.0
137.02475	22.2
149.02437	6.5
151.04010	8.0
159.04384	2.5
161.02470	14.0
161.06114	6.3
162.02998	2.3
163.03943	2.6
164.01186	3.4
165.01941	6.4
167.03493	3.9
175.03932	4.6
177.01918	7.1
178.03886	2.1
179.03482	8.4
187.04076	5.0
188.04713	2.6
191.05632	2.4
201.05768	2.5
202.49791	2.3
203.07092	12.3
204.07549	2.8
205.05025	10.3
221.08183	3.1
245.08237	15.2
255.03081	3.7
269.04605	2.8
287.05649	3.1
289.07202	100.0
290.07520	13.3
291.07681	4.0
311.05380	2.6
331.08182	4.6
407.07639	2.5
408.07709	2.5
409.08340	4.5
451.12317	17.3
630.86725	2.8
741.18896	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.5
59.01387	2.6
63.02394	1.0
65.00328	2.4
68.99814	0.3
69.13938	0.2
69.14269	2.5
71.01378	1.9
73.02950	1.6
76.11010	0.3
83.01393	1.7
85.02970	1.5
86.00101	0.6
87.00892	1.7
87.04530	0.6
89.02460	0.4
93.03467	0.5
98.22482	0.4
101.02480	0.4
103.03991	0.5
107.01390	3.5
109.02979	0.4
113.02480	0.5
115.04022	0.7
117.03436	2.4
119.03483	0.4
119.05045	0.4
121.02976	0.4
123.04490	0.3
124.01674	0.5
125.02458	1.8
131.01273	0.3
131.03503	1.0
133.02847	0.4
134.03763	0.5
135.04520	0.6
137.02428	0.4
143.03497	0.9
143.11943	0.3
149.02486	0.8
151.00371	10.1
152.01157	1.5
153.01970	1.3
155.05138	0.4
159.04524	0.3
161.02402	0.4
161.06093	0.3
163.00371	0.7
163.06133	0.4
165.01877	0.5
169.01399	0.4
169.06567	1.2
173.06006	0.5
175.00356	1.3
177.01895	0.4
178.99867	4.4
180.00240	0.3
180.05832	0.4
181.01506	0.5
181.06564	0.7
183.04466	0.6
191.05565	0.3
196.05313	1.2
197.06052	0.8
199.04053	0.3
201.05531	0.4
203.53954	0.3
205.07123	0.9
211.04022	0.8
212.04652	0.4
224.04761	0.3
225.05560	3.1
227.03580	0.4
239.03523	4.9
240.04018	1.1
243.06451	0.4
253.05159	0.3
259.06134	1.9
261.79843	0.3
268.00873	0.6
268.03781	12.7
269.04547	100.0
270.04895	9.3
281.04578	0.7
282.05273	1.6
283.06064	1.6
285.04056	0.7
287.05804	0.6
293.04559	3.1
294.04834	0.3
309.67477	0.3
311.05634	6.4
311.08783	0.3
312.05981	0.8
320.19244	0.3
335.05682	0.5
341.05502	0.4
368.38800	0.3
413.08746	0.4
431.09814	17.9
432.10254	2.3
494.78702	0.4
579.17175	17.0
580.17664	4.1
654.27325	0.3
736.46405	0.4
741.21985	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.6
61.98829	65.0
63.90889	4.3
69.07890	25.6
69.08322	21.3
71.01394	11.5
84.95135	6.0
101.02460	7.1
121.67955	4.4
125.02453	11.1
136.05304	13.1
145.02992	6.1
151.04034	5.1
165.09245	9.0
171.10312	9.5
191.39268	5.3
196.65112	4.9
199.13342	12.9
207.10292	6.7
209.11839	99.1
210.12082	10.6
225.11325	9.0
227.12907	100.0
228.13326	9.0
235.08308	5.6
253.09308	13.7
289.07437	6.4
323.27011	5.4
371.15948	7.0
419.24643	5.8
445.20358	8.6
447.31519	6.0
463.21960	23.0
493.31790	8.0
637.32178	20.4
655.33551	23.5
656.33795	6.9
669.31165	5.6
673.34003	9.1
697.38324	33.6
709.30859	6.5
741.33972	21.3
743.59698	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.8
59.30308	4.9
61.98839	9.4
62.62214	4.3
64.50428	4.8
70.48744	7.9
72.13091	4.4
98.22503	6.3
99.84874	4.5
101.16141	4.9
116.92873	35.4
125.02422	6.1
161.61525	5.3
209.11847	100.0
227.12843	31.0
243.08954	5.2
253.09329	7.9
273.59036	4.7
280.31662	4.9
474.80539	4.6
741.34583	12.8
742.35297	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.3
61.34493	3.4
61.98833	35.7
71.01389	6.2
71.31901	7.2
78.95919	5.4
82.95394	4.3
96.96049	4.2
106.90004	3.8
122.57813	3.4
125.02467	5.3
153.50905	3.5
207.10371	4.1
209.11852	100.0
210.12233	6.1
225.11238	5.7
227.12877	32.6
251.97256	3.6
253.09352	8.1
258.38504	3.5
289.07138	4.2
312.30118	3.8
445.20862	12.5
637.32544	6.0
653.30469	4.5
655.33099	4.9
741.34241	24.9
742.33575	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.5
59.01375	0.8
61.98834	3.6
71.01363	0.4
78.95885	0.4
82.95419	0.7
83.05026	1.0
85.00419	0.3
93.59444	0.2
94.83064	0.3
96.23643	0.2
96.96011	0.5
97.02995	0.3
109.06568	0.4
109.47525	0.2
120.01221	0.3
163.11345	0.3
197.11882	0.3
201.12782	0.4
203.14394	1.2
207.10289	0.5
209.11816	0.6
211.13429	0.4
225.11400	0.9
231.13858	0.3
247.13287	0.4
249.14967	100.0
250.15302	9.4
250.17970	0.3
315.60825	0.3
322.33298	0.3
385.25351	0.3
394.56265	0.3
491.24493	6.7
492.24820	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95153	1.8
57.03436	3.0
59.01379	7.7
61.98816	8.1
69.97042	4.0
69.97453	7.0
71.01378	7.7
72.83745	2.2
73.02914	2.0
79.40321	1.9
83.05034	2.1
83.47281	2.2
84.21064	1.9
89.02453	2.7
93.32681	2.3
95.05029	2.2
97.06612	3.7
101.02450	6.9
103.16059	2.4
111.08191	4.7
111.28607	2.1
113.02499	3.3
118.97869	2.2
123.08168	2.0
125.02413	2.6
135.30305	1.8
151.11298	21.1
161.04538	2.2
169.12358	83.8
170.12659	3.9
171.10287	32.6
185.11920	2.3
193.10393	2.0
195.10234	2.9
197.11852	26.1
209.11867	10.6
210.12227	2.5
213.11357	12.8
214.11510	2.2
227.12822	2.7
235.08279	3.2
253.09378	6.4
256.51318	1.9
291.19632	12.2
309.20700	20.0
431.19235	4.9
449.20465	6.7
727.93176	2.5
741.40662	100.0
742.41003	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48965	1.9
59.01381	26.7
61.98834	6.7
69.11966	5.8
69.12381	11.3
71.01397	23.5
72.99305	2.4
73.02956	4.2
78.95908	13.9
83.01376	4.5
85.02954	6.1
87.00894	5.7
89.02454	22.4
95.01429	3.8
97.02994	2.7
99.00887	3.2
101.02454	17.8
113.02499	10.8
119.03501	6.8
125.02462	8.9
125.09732	3.7
134.38930	2.6
143.03508	2.8
152.99632	4.6
160.70148	2.3
161.04546	4.3
179.05602	4.9
209.11829	15.6
210.12222	3.3
225.11301	2.7
235.08205	9.5
253.09090	3.0
253.21729	3.9
255.23326	9.8
256.23679	2.9
263.60660	2.3
277.21652	4.7
279.23239	4.3
283.26477	57.9
284.26773	9.6
305.08871	4.5
397.13559	100.0
398.13904	9.2
415.14569	28.1
416.14780	3.7
690.43628	6.4
691.43805	6.7
741.42487	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	3.4
61.98814	2.5
68.58003	0.8
71.01381	3.7
71.31730	1.5
72.69111	0.9
81.03443	1.0
83.05029	4.8
84.02158	1.0
89.02432	2.5
90.82990	0.8
101.02464	3.0
129.98621	0.9
147.47272	1.0
147.56920	0.8
160.65706	0.9
161.04544	1.2
163.11320	5.2
165.12807	2.5
169.12335	2.3
177.12813	0.9
178.32306	1.0
185.11855	1.2
191.10907	0.9
195.13945	6.0
197.11861	2.1
209.11853	100.0
210.12151	8.0
211.13438	1.5
213.11311	1.9
227.12918	11.1
235.08218	2.6
253.09320	11.9
277.21683	7.7
291.19809	1.0
293.21259	1.5
295.22794	49.2
296.23239	4.7
340.56204	1.0
635.08307	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.1
59.10938	1.7
61.12093	1.7
61.98830	33.2
71.01379	7.3
71.30695	2.2
83.05051	4.4
87.00903	2.9
89.02445	3.7
101.02469	3.8
158.64091	1.8
161.04449	2.6
163.11272	3.7
165.12709	2.3
171.10309	5.1
172.10721	2.2
172.88817	2.1
175.64813	2.0
196.03751	1.6
201.11345	37.2
202.11728	2.1
207.10246	2.0
209.11847	80.3
210.12181	5.2
227.12961	13.2
235.08223	11.4
253.09398	13.8
277.21750	100.0
278.22125	16.2
281.24689	2.2
351.44327	2.1
391.01923	2.0
564.71820	2.1
741.43011	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.3
61.98830	20.1
68.93839	2.7
69.52138	6.6
69.52556	12.0
71.01380	9.9
80.85336	2.9
82.95434	9.5
85.00433	4.3
89.02442	4.8
96.96039	4.9
99.04523	100.0
101.02461	4.6
145.31021	3.1
161.02388	4.5
163.11328	4.9
171.10336	6.0
175.04036	7.2
187.04012	6.8
197.11847	7.3
203.03485	27.1
204.04274	23.7
205.05072	11.1
207.10147	3.7
209.11861	34.1
223.07697	3.7
225.11362	9.7
227.12961	11.1
249.05540	3.1
253.09251	5.9
287.09283	13.6
297.13416	5.0
307.06299	8.0
313.43536	3.4
323.05447	7.3
336.06363	6.5
337.07196	4.8
337.10806	6.5
338.07925	9.3
348.06741	3.8
350.07764	3.9
351.04865	4.3
351.08926	3.8
353.10175	9.0
366.09555	13.2
367.10028	4.1
381.09714	31.3
441.96277	3.2
445.21078	3.3
543.14764	4.4
581.23712	4.0
700.74261	3.3
743.34381	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	39.6
60.01711	0.8
61.98837	0.9
69.86742	0.3
70.43601	0.7
70.43961	0.4
93.03458	0.5
93.59473	0.3
98.22336	0.7
98.66286	0.4
121.02966	100.0
121.21607	0.3
122.03299	4.7
137.97263	0.3
140.56041	0.4
155.15800	0.3
158.50565	0.4
165.17299	0.4
178.46278	0.4
191.05614	0.7
207.10324	0.4
209.11847	1.3
303.86398	0.4
369.09924	1.4
384.12265	0.6
399.14536	2.6
481.42407	0.4
497.20294	0.4
521.18152	13.4
522.18408	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.1
61.18688	1.2
61.98834	67.2
69.03445	1.4
69.10223	8.4
69.10638	3.9
71.01381	6.6
73.02936	1.8
79.82625	1.3
81.03419	1.5
83.05038	3.6
83.50721	1.3
88.98788	2.0
89.02455	8.4
89.69413	1.5
93.03450	2.0
96.96008	2.1
101.02451	4.8
109.02950	1.5
113.02464	2.8
115.05386	1.3
125.02447	2.9
130.06018	1.2
135.08182	1.5
137.02441	1.4
145.05153	1.3
150.06833	1.5
161.04549	3.3
163.07715	1.5
163.11302	4.5
171.10294	80.0
172.10616	5.5
179.10706	2.7
189.09239	1.7
191.05710	2.1
201.11356	9.1
207.10272	9.6
209.11842	100.0
209.90916	1.8
210.12227	6.3
225.11337	43.6
226.11674	2.6
227.12926	22.8
228.13206	2.9
235.08192	7.5
253.09300	14.5
289.07175	1.6
378.64096	1.6
407.19315	10.2
408.20096	1.9
443.19357	3.1
445.20752	4.8
461.20444	13.1
496.07852	1.2
617.32239	1.5
653.31903	4.0
654.32733	1.4
671.32654	4.4
672.33746	2.1
689.34540	1.3
725.31281	9.7
726.33167	1.5
743.38251	5.6
744.36169	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66964	0.3
51.94608	0.3
57.03452	8.2
59.01380	0.4
59.98526	0.5
61.98811	0.5
62.03474	0.3
63.73199	0.3
69.01672	3.7
71.05030	0.5
83.05021	1.3
85.02918	0.3
87.50282	0.3
91.87318	0.3
93.42481	0.4
94.32269	0.3
99.04526	43.1
100.04887	1.1
123.08126	0.3
131.20587	0.3
137.97794	0.3
147.11908	0.4
151.11267	0.5
171.10275	0.8
189.16493	2.7
190.16920	0.4
191.14407	2.0
193.12337	11.7
194.12628	0.3
197.11850	5.0
198.12158	0.6
209.11807	0.3
233.15436	2.1
235.08299	0.6
251.16530	100.0
252.16876	9.7
253.09337	1.0
284.62073	0.4
291.39975	0.3
309.20660	0.7
327.21780	2.4
328.22040	0.4
346.02750	0.3
391.97342	0.3
433.21347	0.4
491.24350	3.6
492.24869	0.9
507.26703	0.3
533.46289	0.3
544.00470	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06398	0.1
57.03458	0.1
59.01387	0.3
61.98833	100.0
62.98537	0.2
69.16395	1.0
69.16801	0.3
71.01397	0.2
96.96022	0.2
98.04687	0.1
109.02996	0.2
125.02505	0.2
136.05305	0.2
137.02473	0.2
139.07695	0.2
151.03986	0.2
151.07677	0.3
153.09155	0.2
164.23837	0.2
176.79016	0.1
179.10770	0.3
181.05220	0.2
191.05635	0.2
218.55074	0.1
219.13921	0.3
227.56129	0.1
239.64749	0.1
251.04005	0.1
258.81128	0.2
263.12946	0.4
264.13409	0.3
287.17581	0.2
297.15445	0.1
462.43848	0.2
519.31451	0.8
520.32556	0.2
662.03296	0.1
744.59851	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06398	0.1
57.03458	0.1
59.01387	0.3
61.98833	100.0
62.98537	0.2
69.16395	1.0
69.16801	0.3
71.01397	0.2
96.96022	0.2
98.04687	0.1
109.02996	0.2
125.02505	0.2
136.05305	0.2
137.02473	0.2
139.07695	0.2
151.03986	0.2
151.07677	0.3
153.09155	0.2
164.23837	0.2
176.79016	0.1
179.10770	0.3
181.05220	0.2
191.05635	0.2
218.55074	0.1
219.13921	0.3
227.56129	0.1
239.64749	0.1
251.04005	0.1
258.81128	0.2
263.12946	0.4
264.13409	0.3
287.17581	0.2
297.15445	0.1
462.43848	0.2
519.31451	0.8
520.32556	0.2
662.03296	0.1
744.59851	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06398	0.1
57.03458	0.1
59.01387	0.3
61.98833	100.0
62.98537	0.2
69.16395	1.0
69.16801	0.3
71.01397	0.2
96.96022	0.2
98.04687	0.1
109.02996	0.2
125.02505	0.2
136.05305	0.2
137.02473	0.2
139.07695	0.2
151.03986	0.2
151.07677	0.3
153.09155	0.2
164.23837	0.2
176.79016	0.1
179.10770	0.3
181.05220	0.2
191.05635	0.2
218.55074	0.1
219.13921	0.3
227.56129	0.1
239.64749	0.1
251.04005	0.1
258.81128	0.2
263.12946	0.4
264.13409	0.3
287.17581	0.2
297.15445	0.1
462.43848	0.2
519.31451	0.8
520.32556	0.2
662.03296	0.1
744.59851	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27640	2.0
59.01379	7.4
60.99301	3.3
61.98837	18.5
62.14227	1.8
67.46925	2.0
68.99563	2.3
69.20022	2.0
71.01389	6.8
76.68803	2.1
79.05228	1.9
80.83538	1.8
83.05036	3.7
85.00431	2.5
85.02958	2.1
87.00840	4.1
88.98814	16.0
89.02448	4.1
96.95988	2.6
98.21687	4.1
99.04531	3.4
101.02466	3.0
112.98592	3.7
122.27113	2.2
132.62794	2.6
156.65230	2.3
160.84227	23.4
163.11336	6.2
167.10803	2.4
171.10286	4.1
179.14409	3.0
195.13869	8.2
201.11316	2.6
205.12337	8.6
209.11859	100.0
210.12201	8.9
223.13411	87.4
223.15620	4.2
224.13757	7.5
227.12874	19.9
228.75699	2.1
235.08232	4.4
253.09303	11.9
284.17960	2.1
445.20901	4.5
459.22528	14.3
608.02643	2.8
651.34180	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61584	5.4
69.31419	38.2
75.05965	5.1
83.05036	5.1
109.26633	5.9
109.47149	5.4
180.20529	5.1
209.11819	60.1
227.12918	7.2
235.08238	10.4
253.09413	7.6
255.23340	100.0
256.23666	12.1
336.24942	5.4
593.85571	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	0.6
60.72545	0.6
69.98529	0.5
70.74503	0.7
70.74849	1.2
85.02956	2.6
87.00887	0.9
88.48515	0.5
93.03470	2.5
98.40482	0.6
107.05032	1.0
111.04531	1.2
121.02966	1.5
127.04073	1.0
133.02965	2.2
133.61876	0.6
134.03749	13.8
135.04544	34.7
136.04877	2.2
137.02478	1.2
142.64044	0.6
149.02441	1.1
150.03137	0.7
151.04138	0.8
155.03589	1.3
161.02449	3.5
173.04567	2.6
179.03514	31.7
180.03799	1.3
191.00194	1.2
191.05627	19.2
192.05957	1.2
204.99120	8.8
210.76782	0.6
216.99124	54.4
217.99333	2.9
228.05211	0.6
228.08047	0.6
231.00729	0.6
234.99219	9.1
248.97208	7.5
249.97775	0.7
261.00760	0.7
275.02414	5.6
276.02768	0.7
303.01810	1.7
304.99966	0.7
347.00864	2.0
353.08786	11.0
354.09055	0.8
375.06970	1.8
391.04382	100.0
392.04733	9.8
393.04291	0.7
409.04581	2.0
437.51743	0.7
553.06665	1.0
565.08698	1.7
571.07117	1.1
727.12292	3.6
728.11566	1.1
729.08655	0.7
745.13116	10.8
746.12842	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01717	1.0
78.95931	0.5
95.24671	0.4
96.37063	0.5
101.02455	0.5
103.00378	4.3
103.01504	70.8
104.01856	0.8
106.47802	0.4
122.09582	0.5
131.74915	0.5
156.04564	0.4
183.01117	0.5
246.35594	0.5
255.32806	0.4
311.16669	0.8
481.15363	2.8
482.15292	1.7
495.16348	0.8
497.17987	0.6
514.15009	1.1
555.18805	6.5
556.18842	2.0
572.14929	1.3
586.16730	0.6
641.21759	1.3
659.22766	2.0
660.23572	0.8
661.22607	0.6
677.19537	0.6
701.24554	2.3
702.23169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78609	0.7
70.39360	0.9
71.29981	1.0
72.99322	4.8
75.00878	84.4
76.01218	1.6
85.02945	1.0
99.04488	0.9
100.80253	0.8
108.02187	0.8
119.05037	1.9
125.02416	1.0
126.05971	0.8
128.52293	0.9
135.04518	1.0
136.05347	1.5
137.06105	1.4
145.46227	0.8
151.03987	1.1
151.07648	0.8
163.04012	3.1
179.07137	1.8
207.10268	2.6
219.10263	1.0
261.02161	0.8
313.12936	100.0
314.13345	8.9
362.77252	0.9
571.08148	1.0
745.13641	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	12.2
60.28725	4.3
61.98825	45.7
62.28283	4.3
68.54403	4.7
71.01389	8.3
81.81793	5.1
82.95434	5.8
85.00424	6.8
88.98794	6.4
89.02461	5.7
99.04527	89.2
109.02901	4.9
116.92804	4.6
125.02420	12.9
151.04018	8.4
165.05551	6.6
173.04607	8.8
191.05495	5.0
191.88507	5.4
197.11810	8.5
199.09656	6.0
201.05579	10.9
201.11310	18.2
207.10260	4.9
209.11929	30.5
210.12347	5.2
225.11433	7.9
227.12924	6.8
228.93756	5.1
237.02055	4.9
253.09145	10.9
280.03925	10.5
295.06076	34.4
296.06726	13.4
308.06805	5.3
310.08365	12.0
323.05316	5.6
325.07224	7.5
337.07056	6.7
338.07892	12.1
341.10269	6.5
353.06659	9.1
353.10309	41.5
354.10718	5.1
368.08807	6.5
383.11377	100.0
384.11664	18.1
441.16046	6.4
483.16635	62.2
484.17059	11.5
499.51321	5.6
545.16821	9.9
645.21674	20.2
646.21613	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.2
61.98555	1.5
61.98832	15.0
63.55579	1.2
69.64478	7.5
85.00429	1.8
87.55026	1.3
96.96034	1.3
99.04527	89.1
100.04855	2.4
109.02992	1.2
111.74387	1.1
113.02390	1.4
116.46543	1.4
116.92860	3.0
120.21500	1.3
125.02457	2.1
134.58234	1.6
147.40620	1.3
151.04034	2.4
165.81412	1.2
179.03506	3.8
194.05843	3.1
209.08243	3.4
209.11745	3.4
239.07059	1.9
241.05206	1.5
254.01924	1.6
264.04321	4.3
265.05029	5.8
269.04483	2.6
269.08200	2.2
271.02603	6.4
281.04614	2.4
281.08322	1.4
282.05325	1.7
283.06165	1.6
284.06769	2.6
285.03943	2.6
286.04703	3.7
289.07117	2.3
292.03720	1.5
293.04553	21.7
294.05209	9.2
295.06030	3.7
295.10025	1.3
296.06757	2.7
297.07709	6.7
301.07184	9.5
307.06036	2.8
308.06870	3.7
309.07660	3.9
310.04950	2.1
314.13834	1.6
325.07086	9.2
326.07593	1.7
336.06369	5.5
337.07306	7.7
338.08051	1.5
339.08240	1.5
351.08752	21.1
352.09015	3.5
353.06564	7.1
353.10382	2.1
354.07227	2.3
355.08200	3.3
355.12015	2.0
367.08194	2.7
368.08923	15.6
369.09607	5.9
383.11353	36.7
384.11816	4.2
386.10046	8.4
401.12378	14.0
402.12735	3.0
468.14120	1.9
483.16641	100.0
484.17053	15.9
501.18069	2.3
545.16925	1.7
563.17920	1.8
583.21729	19.4
584.22009	5.2
628.38531	1.4
630.19794	1.5
645.22015	14.8
646.21533	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07688	1.0
57.03432	2.0
58.00586	4.2
59.01382	93.1
61.98836	1.1
71.01385	67.4
71.29929	1.3
72.01713	2.3
72.99312	5.4
73.02955	1.9
83.01397	2.2
85.02960	9.8
87.00887	6.9
89.02449	100.0
90.02757	1.5
93.03464	1.6
95.01392	3.7
98.01970	1.1
101.02443	36.2
102.02779	1.2
108.02141	1.8
113.02456	25.9
117.03468	2.2
119.02679	2.1
119.03513	41.6
121.02987	6.9
122.03735	7.8
123.00857	1.7
124.01614	1.2
125.02473	2.1
131.03519	4.3
133.02953	3.4
134.03716	1.5
136.01672	18.1
137.02440	2.8
143.03508	7.4
145.02979	8.2
146.03737	3.0
147.04515	2.6
149.02449	11.6
149.04512	2.9
150.03235	47.7
151.00348	5.2
151.04041	16.2
160.04994	1.3
161.02478	7.7
161.04547	6.1
162.03238	43.9
163.03723	2.6
164.04776	3.1
165.05583	57.2
166.02719	16.2
166.05855	3.3
177.01892	1.4
177.05579	25.3
179.05632	19.3
180.04282	5.7
181.05070	17.1
181.78456	1.1
182.05379	1.3
184.00510	1.1
187.03929	1.0
189.05498	1.3
190.06346	1.4
193.04916	1.4
195.06635	58.6
196.06976	3.1
205.08600	1.4
215.97533	1.1
240.08287	1.3
258.92453	1.3
276.34363	1.2
289.07187	1.4
357.09683	4.2
357.13199	4.3
371.11426	1.2
372.12167	1.8
387.14542	20.4
388.14780	3.1
452.86060	1.3
535.19531	5.5
536.19684	1.4
547.19611	9.0
548.20184	2.0
583.22021	7.3
584.22699	1.5
706.90143	1.2
745.25159	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.0
60.99304	19.1
69.04049	9.8
69.04456	1.6
76.05324	1.1
87.00883	5.3
88.00413	3.9
88.98812	100.0
89.02451	26.9
128.93059	1.3
255.23128	1.4
498.71149	1.3
538.61884	1.3
574.46265	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70113	0.9
66.74643	1.0
69.05186	8.4
73.77779	1.0
93.03452	5.2
121.02955	12.1
122.03788	13.6
123.00940	1.8
124.01675	1.6
125.02454	1.5
133.02966	2.3
134.03886	1.0
135.04530	8.9
136.01671	21.2
137.02435	5.2
147.04472	1.4
148.39020	0.9
149.02444	28.8
150.03239	94.3
151.00391	4.3
151.04041	23.3
152.01128	1.7
152.04437	1.4
154.02702	1.5
161.02567	1.3
162.03195	1.6
163.04044	3.7
164.04796	7.2
165.05573	100.0
166.02733	13.1
166.05885	5.1
167.03459	3.4
172.05342	1.5
175.03992	4.5
177.01955	2.1
177.05557	2.0
179.03517	1.3
180.04288	6.0
181.05077	18.6
186.09833	1.0
187.04112	1.1
189.05600	3.8
190.06378	6.3
195.06635	62.0
196.06956	4.5
205.08693	1.6
207.06631	1.4
266.06030	1.2
282.05179	1.1
289.07266	2.1
297.07654	1.6
315.08994	1.3
329.10355	3.1
336.19028	1.1
342.11099	1.6
356.12756	2.9
357.09665	3.8
357.13559	10.3
358.13965	1.6
369.13379	1.4
372.12106	4.4
373.12875	1.9
386.13593	2.3
387.14496	55.3
388.14865	8.2
490.16922	1.1
491.17331	1.3
505.18533	3.9
535.19763	68.1
536.20105	13.3
565.20386	2.3
583.21844	31.9
584.22345	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.9
58.00588	3.8
59.01383	83.1
59.27390	1.6
70.44585	3.9
71.01387	52.5
72.99316	4.8
73.02914	2.1
85.02965	10.5
87.00900	3.1
89.02454	71.1
95.01399	3.3
96.96017	1.7
101.02447	22.5
103.05541	1.9
106.46550	1.8
113.02467	21.2
114.40098	1.7
116.54086	2.0
119.03513	30.9
125.02468	12.5
131.03502	4.3
143.03546	7.7
147.04538	100.0
148.04842	4.5
149.04561	2.7
160.40421	1.5
161.04562	6.9
167.03540	2.4
177.01970	5.9
179.05626	29.5
190.11420	1.5
213.05507	1.6
224.55684	1.5
254.68840	2.0
289.07056	1.7
327.10867	46.2
328.11285	4.2
342.39902	1.8
485.85593	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34855	1.3
57.03453	1.8
58.00595	3.0
59.01385	80.7
60.01727	1.4
71.01386	50.7
71.29776	1.4
72.99303	2.9
83.01405	3.2
85.02949	10.5
87.00883	3.0
89.02453	72.5
93.03468	1.8
95.01397	4.7
101.02453	29.0
113.02465	23.4
119.03510	30.7
125.02453	1.5
129.03464	1.5
131.03526	4.5
143.03514	8.0
147.04538	100.0
148.04843	7.6
149.04550	3.2
161.04539	7.1
161.70476	1.2
179.05629	29.4
188.19437	1.4
191.05664	9.4
212.07114	1.3
327.10873	57.3
328.11246	7.4
382.53586	1.3
436.35065	1.2
530.25677	1.5
581.21082	1.3
631.05219	1.5
686.85254	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34417	15.0
58.73500	15.5
61.98848	34.8
71.31731	37.0
75.94198	14.3
78.95953	14.4
79.04097	16.6
81.45144	13.7
94.06411	15.1
94.99603	14.6
96.96039	100.0
103.28734	16.2
144.64351	21.2
154.61139	14.0
192.47731	16.3
197.11885	21.5
257.38916	18.0
265.14841	88.0
296.13809	18.6
299.35776	17.5
316.44632	18.5
697.72461	18.9
766.66010	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	4.2
59.01373	13.8
59.04744	3.1
61.98832	39.3
69.11152	7.8
69.11563	26.3
69.77058	2.9
71.01361	10.2
73.02946	3.2
83.05048	6.4
85.00439	4.3
88.98805	11.1
93.03489	3.3
97.02895	3.5
99.04540	6.2
101.02468	7.6
101.84309	3.6
103.01492	4.3
107.70988	3.1
109.02959	5.2
109.06637	18.3
112.98577	4.1
113.02409	3.6
116.92839	7.6
124.61018	3.2
125.02435	10.7
130.59673	3.2
135.08228	3.9
151.03992	6.3
161.09686	3.9
163.11311	14.6
171.10312	4.3
197.11719	4.5
205.74069	3.0
207.10266	53.4
208.10654	4.0
209.11830	100.0
210.12134	12.2
225.11342	21.6
225.13206	3.4
227.12910	14.5
233.30611	3.1
253.09407	14.8
289.07117	8.8
303.03400	2.9
399.21558	5.1
419.58856	3.1
461.20386	7.9
470.85886	3.8
635.30878	9.1
636.30994	6.4
653.31879	13.8
654.31897	5.7
671.32678	18.5
672.33307	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55481	0.1
59.01371	0.2
61.98835	100.0
62.98523	0.2
71.01395	0.2
86.49683	0.1
89.02477	0.2
101.02502	0.1
119.12617	0.1
121.02987	0.3
125.02473	0.2
150.03224	0.7
151.03990	0.3
155.03307	0.1
165.05550	0.8
165.53391	0.2
166.05859	0.2
191.05612	0.2
195.06624	1.0
196.07043	0.3
257.55811	0.2
347.91473	0.1
521.33392	0.9
635.84644	0.2
747.14355	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
66.01992	75.8
67.13188	97.5
86.23837	83.9
105.02721	95.4
125.28864	74.2
157.03267	86.7
321.33875	91.6
497.55191	100.0
620.95190	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47433	2.9
59.01382	100.0
61.98824	4.6
69.07944	8.7
69.08370	13.1
77.74552	2.9
78.95892	2.9
92.83612	2.9
96.66499	2.8
116.92867	10.0
131.29918	3.2
151.35655	2.6
166.45358	2.9
212.16499	2.6
293.75449	3.2
415.89600	3.0
455.17294	4.5
460.73471	3.0
473.18195	7.5
512.13257	9.7
526.15057	8.7
601.19000	6.4
614.20154	77.7
615.20410	26.5
631.57764	3.4
632.17053	3.6
646.19073	10.3
687.23413	8.9
747.25452	45.5
748.25848	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60297	1.0
55.01875	1.1
57.03465	1.5
58.00593	6.4
58.03390	1.0
59.01382	100.0
59.40310	1.0
60.01727	1.3
61.98822	1.5
66.66027	0.9
66.96969	0.9
71.01387	78.5
72.01714	1.0
72.99314	6.9
73.02946	1.2
78.15285	0.9
83.01397	2.0
85.02963	13.3
87.00886	4.5
89.02451	97.2
90.02779	2.4
93.03466	2.3
94.93314	1.1
95.01408	4.8
97.55019	1.0
99.00899	1.2
101.02450	44.4
109.02943	1.4
113.02457	30.2
119.03509	44.6
120.03845	1.2
121.02959	4.1
122.03748	7.0
123.04517	1.2
125.02480	5.9
131.03529	5.4
137.02429	1.8
143.03499	6.1
145.02959	2.0
147.04527	1.2
149.02463	16.9
149.04538	3.6
150.03238	39.3
151.03961	3.3
160.01620	1.6
161.02483	1.9
161.04565	6.0
161.05798	1.3
162.03250	11.9
163.39720	1.1
164.04834	2.3
165.05579	33.9
166.05994	1.9
175.03998	1.4
177.05559	11.6
179.05632	16.9
180.04297	2.7
180.07950	1.1
195.06627	23.8
196.06989	1.5
237.39960	1.2
285.11389	2.3
298.08429	2.3
310.08536	1.7
313.10620	2.0
325.10791	2.4
326.08026	1.6
341.10281	17.3
342.10596	2.6
356.12729	6.8
357.12909	1.7
359.14951	3.7
362.55814	1.1
370.09161	1.0
371.15045	26.6
372.15268	4.5
519.20313	11.5
520.20593	3.6
549.20947	1.2
585.24054	1.2
621.21625	1.4
747.28363	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51816	0.2
59.01376	0.2
61.98835	100.0
62.98541	0.3
69.03474	0.5
71.01411	0.2
78.95915	0.4
88.68732	0.2
96.96096	0.2
113.02411	0.2
116.92886	0.5
150.51921	0.2
160.71858	0.2
207.10211	0.2
209.11836	0.4
225.11401	0.3
249.14940	1.6
250.15331	0.4
251.16612	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01670	1.8
59.01373	2.4
61.98843	13.4
71.01386	4.3
71.32071	3.5
72.99294	3.4
75.00866	5.2
80.64430	1.8
83.05025	3.3
88.98822	2.2
124.03161	2.1
125.02440	4.4
130.05087	1.7
137.02377	2.4
148.51369	1.8
151.04004	2.4
163.11275	4.8
166.24220	1.9
171.10291	4.1
188.93384	2.1
197.93721	2.3
201.11562	2.0
204.64400	2.0
209.11845	100.0
210.12198	8.2
225.11034	1.9
227.12886	16.2
234.74568	1.7
249.20476	2.0
253.09262	6.3
289.07132	3.2
438.00360	2.0
445.20599	2.8
637.32562	2.3
639.63568	2.0
772.22278	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95214	0.8
59.01385	15.9
61.98834	16.5
65.93800	0.8
71.01390	1.8
71.32237	1.5
78.95920	1.2
84.00893	1.7
87.00884	0.8
99.04536	4.0
101.02457	1.2
105.46014	0.8
111.35583	1.0
113.02471	3.7
125.02401	1.7
142.89554	0.9
211.13231	1.0
251.16510	2.1
253.18185	1.6
289.07285	1.1
399.28958	1.6
483.31186	32.4
484.31351	7.2
525.32593	1.3
543.33307	100.0
544.25739	1.7
544.33655	24.1
585.34064	2.6
652.74341	1.0
657.20154	1.1
688.47076	1.1
705.37701	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	7.4
59.01392	5.5
75.00878	12.7
81.03462	11.3
83.01416	6.3
88.98804	10.6
94.38609	4.6
97.02928	6.3
98.21802	13.3
99.00911	8.7
109.02971	10.8
121.03013	7.7
123.04536	10.4
125.02451	100.0
126.02771	7.1
134.03761	31.6
135.03026	10.1
137.02472	17.2
139.36478	5.4
149.02484	9.3
149.06065	43.6
151.04025	10.4
159.04529	7.3
161.02451	23.1
164.01158	12.2
165.01949	20.1
167.03508	83.6
173.02530	6.9
175.04001	27.2
177.01961	20.1
187.03995	8.1
191.05624	8.9
197.06140	8.2
199.04037	11.7
201.02167	5.8
203.03520	6.0
211.04031	7.5
212.04674	8.5
215.03439	7.9
217.05005	14.5
225.05602	13.1
227.03534	12.4
229.05083	9.3
237.05708	8.7
239.03539	9.6
241.05061	21.7
243.02965	23.8
246.16473	5.6
253.04935	8.9
255.03018	17.6
255.06744	8.9
257.04483	9.3
265.05051	9.0
268.03769	7.9
269.04678	12.5
279.03018	5.6
281.04559	15.2
283.02548	21.9
283.06107	14.0
284.06815	6.0
285.04019	8.2
287.05722	21.3
289.07495	8.5
293.04672	8.2
295.02496	15.9
296.03329	10.0
297.03995	35.1
307.06131	14.8
309.04016	36.0
325.03693	12.0
325.07303	10.9
327.04898	6.8
337.03638	7.2
407.07681	48.7
408.07950	7.5
423.07281	40.6
447.07141	31.3
449.08908	49.0
450.09378	10.8
461.04977	15.8
463.06662	7.1
487.06592	20.7
487.12891	5.7
513.11963	24.3
531.12830	15.0
557.10675	17.2
558.11371	7.2
575.11896	84.9
576.12213	12.5
597.08789	7.7
613.09741	13.2
614.09851	7.2
749.14178	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.6
61.98815	1.1
63.02396	1.1
65.00326	0.9
67.67416	0.4
71.29615	0.4
83.01408	0.9
90.61102	0.5
107.01390	1.9
108.02184	0.8
109.02962	0.6
121.02955	1.1
122.03725	1.2
123.04539	0.5
125.02446	1.6
133.02995	1.0
134.03751	6.7
137.02444	1.9
141.01701	0.7
143.05048	1.2
145.03017	0.5
147.04538	0.7
148.01752	0.6
149.02472	2.5
149.06091	2.8
150.03226	6.7
151.00375	5.8
151.04016	0.5
155.05051	0.9
160.01674	1.9
161.02449	0.8
162.03261	0.6
163.00359	0.9
165.05594	4.3
166.06372	1.2
167.03494	0.5
171.04526	2.9
173.02458	0.6
175.03989	2.0
178.02800	3.3
178.04185	0.7
178.99855	1.2
180.04256	0.8
183.04523	1.0
187.04027	1.3
189.01848	0.6
191.59447	0.5
193.05057	10.8
194.05379	0.7
195.06657	2.2
197.02463	0.7
199.04013	9.3
200.04495	1.2
201.01912	4.4
203.03532	1.4
204.04340	0.6
205.04979	0.6
215.03516	9.1
216.03909	0.5
225.01926	0.9
226.02711	1.5
227.03525	9.8
228.03964	1.0
229.01443	0.9
242.02220	21.3
243.02980	73.9
244.03314	5.7
246.13217	0.4
255.02950	4.7
256.03510	0.5
257.04568	18.4
258.04929	1.9
270.01712	23.6
271.02478	72.8
272.02850	6.5
283.02600	0.5
285.04056	38.1
286.04700	9.9
287.05301	1.1
289.07214	1.0
299.01990	25.9
300.02695	13.1
301.03192	1.4
314.04340	61.1
315.05032	27.6
316.05441	1.8
341.10333	0.6
342.04013	0.7
357.05954	2.4
386.86514	0.6
416.41644	0.5
477.10101	0.5
553.20844	10.2
554.21075	1.3
707.18286	4.9
708.18860	0.9
749.19348	100.0
750.19598	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71671	1.6
59.01387	21.2
61.98837	100.0
69.03453	2.3
71.01382	17.9
73.02940	3.5
75.00890	9.7
75.17337	1.7
80.96537	2.5
85.00423	2.1
85.02953	5.1
87.00893	5.4
89.02457	18.4
93.21506	2.1
96.96017	2.1
97.02959	3.6
98.22166	10.3
99.00937	2.1
101.02452	12.5
102.17641	1.7
103.69477	1.7
109.06561	3.6
113.02470	7.7
119.03487	3.8
119.94695	1.7
125.02452	5.5
128.17406	1.7
135.04488	2.0
143.03554	2.0
161.04625	4.2
163.11249	2.3
165.12894	18.9
179.05687	2.7
191.05722	2.5
197.11911	2.9
207.10333	9.3
209.11867	26.0
210.12155	4.3
217.98840	2.1
222.70773	2.0
225.11406	3.2
227.12999	4.5
235.08244	7.2
246.75671	2.1
247.20695	10.9
253.09348	4.6
273.18576	6.6
291.19696	90.6
292.20087	12.8
397.13535	50.4
398.13785	5.4
415.14606	25.5
416.15109	3.0
671.32104	3.8
749.30676	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98340	0.2
59.01390	0.6
61.98834	100.0
67.64632	0.2
71.01370	0.3
71.31772	0.2
72.30961	0.1
87.00905	0.2
96.96004	0.3
98.83478	0.2
101.02478	0.3
105.66567	0.2
108.52641	0.2
125.02483	0.2
146.69589	0.2
169.12428	0.3
197.11835	4.5
197.13466	0.3
198.12192	0.3
209.11855	3.3
209.13763	0.2
210.12227	0.3
225.11504	0.2
227.12781	0.8
253.09502	0.2
293.21552	0.2
304.45505	0.2
397.13364	0.2
415.15039	0.2
433.20816	0.4
604.55670	0.2
616.50037	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	9.6
70.82014	8.1
75.00881	12.1
83.01396	10.2
85.02997	4.0
87.00897	4.4
95.01431	5.3
101.66201	4.2
109.02950	22.4
112.22289	4.1
121.02988	5.8
123.04527	12.4
125.02447	100.0
133.02962	6.0
135.00877	7.3
135.03018	9.9
137.02454	37.1
139.04036	7.4
149.02458	15.4
151.04030	18.1
153.01959	9.6
161.02406	35.2
161.06085	6.2
163.00378	73.9
164.01135	17.5
165.01921	23.5
171.37032	4.4
175.02545	7.9
175.04027	13.2
176.01149	8.7
177.01903	20.8
179.03526	6.7
183.04575	4.4
187.04053	8.1
188.01331	4.2
189.01971	8.1
191.05667	5.1
193.01320	5.1
201.05771	5.5
202.99902	9.2
205.05066	7.0
209.00989	9.4
211.03934	5.5
216.00639	5.0
221.01016	5.2
225.05637	6.4
227.03488	5.4
239.03400	6.2
241.05031	6.2
243.03032	17.1
245.04568	10.1
245.08229	11.1
253.04900	5.5
255.02971	15.6
256.03818	7.2
257.04529	12.2
261.04099	6.0
267.02945	12.5
268.03705	6.9
269.04388	23.3
270.05252	9.7
283.02475	33.3
284.03107	7.5
287.05634	24.9
289.07193	47.3
290.07687	5.5
295.02423	11.1
296.03214	8.9
297.04108	11.3
311.02063	7.9
313.03668	5.9
325.03568	16.0
327.05197	8.7
335.10397	7.2
407.07654	26.0
419.07806	19.9
421.09372	20.4
425.08704	22.8
426.09195	4.9
444.20712	4.4
445.05508	15.0
446.06094	6.9
447.07254	13.6
449.08844	7.5
451.10370	12.1
463.06735	55.9
464.07227	17.7
465.08313	17.6
481.07971	4.9
492.07434	9.3
493.07568	4.9
577.13525	12.4
578.13434	5.6
615.11194	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
62.64001	1.3
69.47326	2.3
69.47722	4.4
86.43209	1.3
88.33461	1.6
93.03497	3.1
98.21810	2.0
108.02172	2.1
109.02966	2.3
119.05009	1.3
121.02965	18.4
122.03748	18.3
123.04541	2.8
133.02942	2.0
135.04501	3.7
135.91098	1.3
136.01656	3.5
145.02982	2.0
147.04543	4.8
149.02452	50.8
150.03236	99.9
150.92073	1.5
151.03696	5.6
159.04568	1.9
163.04002	3.9
164.04811	15.3
165.05582	100.0
166.06151	8.8
175.03981	3.8
177.05582	2.0
179.07234	2.4
180.04301	6.2
181.08716	2.9
182.46979	1.4
191.05699	1.6
195.06642	63.0
196.06972	1.4
207.06621	2.1
237.05605	2.2
238.06358	1.8
240.04288	3.7
251.07071	1.7
255.06740	2.5
255.10213	1.8
266.05939	1.4
267.06693	3.7
269.08200	27.6
270.08759	6.1
271.09869	1.9
281.08261	4.5
282.08713	1.9
283.09714	12.7
295.05713	1.7
297.11362	4.0
298.08524	10.8
299.09235	19.8
300.09741	3.5
310.12164	2.0
311.09241	23.6
311.32114	1.5
312.09875	3.9
313.10880	17.6
314.11609	42.2
315.11932	8.1
325.10797	6.2
326.11569	17.2
327.12045	3.4
328.13190	7.1
329.13959	93.6
330.14282	10.9
341.13943	48.4
342.14334	5.3
343.11880	43.9
344.12283	6.0
355.11801	3.0
373.12863	3.5
391.13840	4.8
424.60654	1.6
465.98090	1.7
477.19312	6.0
489.19202	1.8
492.17410	1.8
507.20261	30.2
508.20502	8.6
525.21295	2.3
537.20996	1.7
555.22198	8.2
556.22662	1.9
673.26617	4.1
703.27478	21.4
704.27606	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.1
59.19950	1.1
66.21914	1.1
71.28584	1.4
93.03469	5.0
97.93085	1.3
105.03522	1.1
108.02187	2.3
109.02952	1.7
121.02972	15.0
122.03764	17.7
123.04549	2.8
132.02177	2.8
133.02979	12.2
134.03763	7.6
135.04547	2.3
136.01642	5.1
137.02467	2.6
137.06152	1.3
145.02963	4.8
146.03725	2.5
147.04552	6.0
149.02454	47.5
149.06099	7.9
150.03244	100.0
151.03999	8.1
159.04529	3.8
160.05315	7.4
161.02414	2.8
161.06104	6.2
162.03218	5.0
163.04034	5.2
164.04826	13.2
165.05588	77.5
166.06258	6.0
173.06039	1.3
175.04004	1.5
175.07649	7.6
176.04765	3.0
177.01982	1.1
177.05582	9.9
178.06310	2.2
179.07178	3.6
180.04283	5.4
181.08687	2.5
195.06648	32.8
196.06976	1.8
282.09058	1.3
295.06290	1.6
299.09079	1.7
310.08380	1.4
313.10892	3.9
315.12531	3.1
329.13950	17.7
330.14127	1.7
343.11960	6.7
373.12909	2.1
409.21207	1.2
447.17996	2.3
463.17337	1.3
477.19260	16.9
478.19608	4.1
493.18283	1.6
505.18417	1.3
507.20313	18.0
508.20972	2.9
521.18286	3.2
525.21124	4.4
526.22174	1.8
537.21179	3.6
539.18567	1.7
555.22522	3.3
561.21338	5.1
591.21594	2.0
625.24927	1.6
655.25403	18.8
656.25897	5.3
667.25836	3.4
673.26746	2.2
685.26501	7.6
686.26666	3.1
697.25922	2.6
703.27777	7.0
704.27551	2.3
715.27429	4.4
733.28192	3.6
751.29865	3.7
752.28510	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24950	0.2
53.75268	0.2
59.01384	100.0
60.01717	1.2
61.98847	0.5
62.42989	0.2
70.94671	0.2
71.01432	0.2
75.00851	1.1
95.61243	0.2
97.91123	0.2
102.70081	0.2
102.95688	0.4
103.00499	6.7
103.01503	78.9
104.01869	0.9
105.06078	0.2
125.02331	0.2
125.09782	0.2
163.69159	0.2
206.01337	0.2
207.10278	0.2
209.11856	1.5
225.11218	0.5
227.12804	0.2
237.95108	0.2
249.58623	0.2
253.09268	0.3
287.16495	0.4
289.18140	0.2
305.17661	1.0
364.47357	0.2
586.50702	0.2
733.37054	0.5
751.37805	0.5
757.99841	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
59.01375	5.0
61.98818	1.6
69.03452	2.6
69.94431	0.7
69.94759	2.0
71.01384	5.2
71.05035	0.9
73.02962	1.2
83.01376	0.9
83.05039	0.9
84.72874	0.6
85.02930	1.0
87.00880	1.6
89.02443	3.1
101.02448	3.7
109.06582	0.9
111.07648	0.5
111.08184	5.6
113.02445	2.0
119.03553	0.8
125.09773	0.7
145.05110	0.7
145.16986	0.7
153.12834	0.8
161.04587	2.7
167.10751	2.7
169.12401	2.1
177.12872	1.0
179.10696	0.7
179.14365	3.5
191.05600	0.9
195.13899	8.8
197.11852	34.9
198.12164	2.9
199.13420	2.3
205.12347	10.5
211.13414	4.1
223.13402	100.0
224.13721	9.1
224.35991	0.6
235.08232	5.3
253.09314	15.5
254.09729	1.1
263.20172	1.4
265.18063	1.0
291.19672	11.0
292.20111	1.8
309.20746	42.6
310.21066	4.7
349.92300	0.7
459.22397	8.9
460.22629	1.6
484.68744	0.8
515.33594	0.8
545.29614	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99628	0.5
53.60617	0.6
57.03446	1.2
59.01379	6.9
67.09301	0.5
69.03457	2.5
69.55664	1.2
69.56075	1.9
71.01382	4.1
71.05014	1.1
73.02953	1.0
85.02949	1.2
85.06599	0.6
87.00880	1.4
89.02471	3.1
93.20155	0.6
95.05045	0.5
97.02917	0.6
101.02463	4.6
107.42203	0.6
109.06577	1.1
109.73717	0.6
111.08170	7.4
113.02442	2.3
119.03545	1.0
120.46334	0.6
132.19801	0.5
145.05042	0.7
149.09804	0.8
161.04544	1.9
167.10747	2.9
169.12408	2.9
177.12898	1.1
179.05602	0.8
179.10765	2.3
179.14400	4.1
181.12381	0.5
195.13947	8.7
197.11839	33.7
198.12170	2.6
199.13417	2.1
205.12357	9.6
209.11827	0.7
211.13414	3.3
221.11902	0.9
222.36819	0.5
223.13406	100.0
223.40405	0.6
224.13739	8.2
225.15002	0.7
227.12849	1.0
235.08264	4.8
253.09305	13.3
263.20245	1.2
265.18005	0.9
267.38919	0.6
273.18668	0.8
289.88223	0.5
291.19702	12.9
292.19949	1.7
309.20740	40.9
310.21158	4.2
459.22382	10.8
515.33765	0.7
545.29529	1.2
592.98273	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
59.01382	27.6
61.98835	100.0
63.55455	0.7
66.91901	0.7
67.06097	0.7
71.01378	4.5
71.05018	0.9
72.99309	0.7
75.00884	1.0
79.95745	0.8
80.96525	1.1
81.03474	1.0
82.95431	1.1
83.05056	2.1
87.00876	1.3
89.02454	1.1
95.05063	0.9
96.96021	5.2
97.06565	1.1
98.22559	1.3
99.04527	43.4
100.04876	1.3
101.02489	2.8
101.06086	0.9
103.31702	0.7
109.02970	1.3
116.92908	0.8
121.02982	1.1
123.04544	1.2
125.02507	1.3
125.09737	1.3
135.08235	1.3
137.02484	0.9
140.01213	0.7
141.09230	1.2
161.04584	0.9
163.11319	2.2
165.09404	0.8
165.12889	1.1
171.10291	3.9
179.40750	0.8
191.05692	1.0
191.10831	0.9
191.14555	1.1
197.11949	1.1
199.13495	0.7
207.10371	2.6
209.11839	32.4
225.11351	1.8
227.12891	3.9
228.33093	0.9
235.08189	1.5
237.14996	1.4
239.12889	1.0
245.19185	1.5
253.09428	3.1
259.13455	1.1
261.12875	0.9
273.17316	2.8
277.12613	1.0
279.14008	1.8
289.18137	6.5
295.13489	1.5
297.14944	1.7
305.15585	0.9
307.19183	16.0
341.14102	0.9
361.18317	1.0
371.07306	0.7
379.19028	0.8
405.21130	1.7
423.22296	1.3
449.20187	1.0
467.21051	3.1
485.21591	4.0
486.22424	0.9
503.22873	20.9
503.29849	1.3
504.23499	4.6
521.23944	27.9
522.24170	5.3
543.28558	4.0
545.23560	1.4
563.25250	1.0
603.28717	1.0
684.34680	1.4
717.38654	1.0
735.39795	2.6
753.41028	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
62.98544	0.2
70.01968	0.1
104.55512	0.1
109.06583	0.1
123.04590	0.1
125.02489	0.5
137.02487	0.3
165.01906	0.2
209.11861	0.5
232.85381	0.1
260.29050	0.1
289.07346	0.3
419.11023	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50922	0.2
61.65866	0.3
61.98838	0.3
71.30620	0.3
75.58904	0.3
78.95911	6.7
79.95742	3.8
94.98129	0.4
96.96017	100.0
96.96915	7.2
119.68841	0.3
136.84538	0.3
144.85257	0.3
229.39970	0.3
248.66324	0.3
298.50351	0.3
498.98093	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.7
59.01373	1.5
60.69091	0.4
60.99297	1.5
64.69537	0.5
67.01890	3.5
69.03446	1.0
71.01380	1.6
81.03452	0.8
83.05034	0.8
85.02945	5.4
87.00873	5.7
93.03463	25.8
94.03806	0.9
96.79386	0.4
109.02995	0.9
111.04534	3.9
112.12041	0.5
117.03477	0.6
125.02451	1.3
127.03977	1.1
134.03764	8.5
137.02486	0.7
143.03554	0.6
146.99290	0.5
149.06036	0.7
151.76500	0.4
155.03528	0.5
163.98091	0.5
173.04553	13.3
174.04889	0.5
175.03978	0.5
178.02681	0.6
191.05623	100.0
192.06026	4.3
193.05029	4.9
229.79784	0.4
367.10333	35.2
368.10623	4.6
480.07629	0.6
722.50909	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40387	0.6
57.03458	1.2
59.01384	4.0
61.98834	100.0
69.24217	5.6
71.01390	2.6
73.02987	1.0
79.95743	29.2
80.96523	42.9
81.03495	1.1
83.01386	1.9
83.05045	3.0
85.02927	1.0
88.98837	1.0
89.02457	1.2
93.03484	1.3
95.95260	1.7
96.96017	37.7
97.02966	0.8
99.04592	0.8
101.02446	1.6
109.02952	0.9
109.06608	3.0
113.02473	1.0
116.92885	1.1
119.80487	0.7
125.02449	4.2
137.02473	2.5
140.73865	0.6
149.19606	0.6
161.02441	0.9
161.04613	0.8
163.11252	3.7
165.02007	1.0
165.12901	1.5
171.10344	1.2
173.04559	0.8
181.12340	1.2
191.05695	2.2
199.09789	1.1
207.10266	3.8
208.10742	0.8
209.11842	33.2
210.12224	2.4
225.11378	2.7
227.12941	2.5
230.92436	0.6
289.07404	1.6
293.27707	0.6
328.26300	0.7
488.47400	0.7
492.65381	0.7
591.25067	0.8
735.28998	0.9
753.30048	72.5
754.30365	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.2
61.98832	100.0
71.01389	14.6
72.14915	1.3
78.91904	2.7
79.95715	1.2
80.91690	22.9
80.96524	5.2
83.05045	2.2
89.65943	1.2
94.98077	2.4
95.05021	1.6
96.95986	6.1
101.02435	2.5
109.06586	4.2
115.35292	1.4
120.78199	1.4
121.02968	2.4
125.02410	1.9
163.11284	3.7
171.10268	4.3
181.12413	1.6
197.11913	2.8
205.26073	1.2
207.10240	8.5
209.11835	28.6
210.12123	1.8
225.11401	6.5
227.12962	3.4
231.96742	1.3
247.09596	2.1
253.09306	2.8
270.56021	1.2
289.18127	1.9
311.05817	1.6
369.09683	3.8
404.18781	1.3
425.07629	1.5
531.15045	6.8
577.15979	1.4
671.32971	2.5
721.36255	3.2
753.33630	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19541	0.4
57.03455	0.9
59.01384	3.7
61.98839	1.8
69.03461	0.7
69.16178	3.8
71.01394	3.5
73.02952	0.8
80.02679	1.4
81.03464	1.9
83.01385	0.8
83.05035	4.0
84.02151	0.8
85.02941	1.3
87.00852	1.0
89.02450	2.7
95.01405	0.4
95.05041	1.2
97.02939	1.3
97.06602	1.6
98.22573	0.8
99.00905	0.5
101.02440	3.6
107.05038	0.4
109.06590	3.0
111.08179	0.8
113.02451	1.6
119.03510	0.9
121.06618	0.5
123.04520	0.9
123.08121	0.8
125.06092	0.5
125.09747	2.0
135.08176	1.3
137.09743	0.9
142.02782	0.4
143.03522	0.4
145.05090	0.5
149.06070	0.4
150.14713	0.3
150.81749	0.3
151.11261	0.4
161.04567	1.4
163.11311	7.2
165.12848	2.4
171.10284	1.6
179.05608	0.7
181.12354	1.7
185.11845	1.9
191.10910	0.9
191.14421	2.1
197.11827	3.2
207.10294	7.0
208.10545	0.8
209.11842	100.0
210.12167	8.5
211.13408	1.1
223.09775	0.4
223.13484	0.4
225.11284	4.0
226.11700	0.4
227.12927	11.6
228.13269	0.9
235.08232	2.7
237.11304	0.9
245.19093	3.9
246.19476	0.6
249.14990	0.6
253.09311	10.4
254.09615	0.5
263.20270	1.0
271.16968	0.6
289.18118	19.3
290.18402	1.7
291.19678	2.6
293.21194	0.8
307.19177	17.0
308.19611	1.9
309.20804	3.5
310.20978	0.6
325.19537	0.4
327.19775	0.4
345.20670	0.7
401.23331	0.7
419.24234	0.5
437.25876	0.3
443.19180	0.4
445.20648	0.7
461.20322	0.8
494.83301	0.4
499.30655	0.7
517.31793	0.5
543.28229	0.5
637.32336	1.3
684.47595	0.5
689.68463	0.5
717.39063	0.5
735.39441	1.5
753.40753	3.5
754.41034	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.5
59.01385	12.7
61.98833	11.9
64.01652	1.7
69.03456	6.0
69.17961	16.5
71.01379	15.0
71.05024	2.6
73.02949	2.2
78.91889	2.0
81.03445	1.9
83.05040	4.9
85.02938	3.4
87.00889	3.2
89.02437	4.6
95.05068	2.3
97.06615	3.7
98.22534	3.6
101.02439	7.8
109.06589	3.5
111.08176	2.6
113.02449	4.6
119.03542	1.8
121.06699	1.7
125.09722	3.1
131.53606	1.6
135.08148	2.1
151.11317	3.2
153.12845	2.4
161.04520	2.9
161.09717	3.2
163.11313	6.0
165.12849	5.9
169.12347	2.5
171.10324	8.7
179.10817	7.5
181.12395	2.4
185.11841	2.6
191.05658	2.0
195.13930	3.8
197.11852	76.7
198.12184	4.8
207.10320	8.5
209.11855	75.3
210.12210	6.8
211.13448	5.9
223.09683	3.4
223.13289	2.3
225.11247	10.9
227.12877	14.4
235.08217	3.2
241.10880	4.1
245.19066	2.8
253.09236	15.0
258.51129	1.8
263.20200	2.5
266.31808	1.7
275.20239	4.1
289.18204	10.8
291.19733	8.4
293.21130	13.9
307.19174	23.0
308.19699	3.3
309.20770	9.2
477.20126	2.9
569.90729	2.1
735.39429	2.9
753.40662	100.0
754.41077	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.2
61.98835	100.0
62.98540	0.1
69.01659	0.5
69.02082	0.8
71.01392	0.1
78.67293	0.1
78.95969	0.1
80.96539	0.2
101.54255	0.1
123.04640	0.1
125.02486	0.5
126.34283	0.1
127.70511	0.1
135.04501	0.1
151.04045	0.2
177.47878	0.1
191.05589	0.5
207.83072	0.1
209.11821	0.3
289.07291	0.3
303.22153	0.1
322.41541	0.1
551.59308	0.1
553.33746	0.1
575.98529	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99302	3.4
65.03972	0.7
69.03448	1.0
71.01387	1.5
71.29430	1.0
71.70355	0.6
73.02950	2.9
81.03467	1.3
83.05034	1.4
85.03000	0.8
88.98812	20.8
92.40295	0.6
93.02883	1.2
93.03465	16.8
94.03806	0.6
94.89619	0.7
95.01414	2.3
97.02937	0.6
99.00900	1.2
99.04501	0.8
105.21098	0.5
109.02977	5.9
111.04524	6.7
120.14901	0.7
125.00956	1.1
127.02541	2.0
137.02454	32.9
138.02815	1.1
149.00954	14.6
150.01140	1.2
151.02525	11.6
152.02678	0.9
153.00400	1.1
153.86038	0.7
155.03537	0.9
173.04538	2.1
175.02461	0.6
177.00438	21.8
178.00558	2.3
189.04117	0.6
191.05733	1.0
195.01521	9.1
196.01624	0.9
201.04086	4.3
202.04182	0.7
203.05641	3.1
213.02515	8.1
213.04250	1.0
214.02696	1.0
215.05627	1.6
217.07201	0.7
225.04089	4.9
227.05605	4.9
228.05971	1.5
229.03590	2.1
241.03610	1.8
243.05168	2.5
245.06723	3.1
247.04610	2.3
248.97350	0.7
253.03580	1.7
269.03098	2.0
271.04633	7.6
272.04852	1.5
273.02600	4.1
274.02823	0.6
289.02606	1.1
289.05405	3.4
291.03598	1.5
295.03131	1.2
297.02573	1.9
307.03232	1.0
307.06680	7.0
308.06964	1.4
309.01572	0.6
309.04688	3.6
315.03668	7.5
315.85806	0.6
316.03888	1.4
325.04037	1.9
325.07751	1.3
333.04712	13.4
334.04892	2.0
351.05725	27.1
352.05966	4.9
369.06812	39.4
370.07053	6.6
387.07748	5.8
388.08157	0.8
521.02020	1.5
543.12091	100.0
544.12329	22.6
581.07654	6.9
582.07642	1.7
755.12585	2.5
756.13611	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99302	3.4
65.03972	0.7
69.03448	1.0
71.01387	1.5
71.29430	1.0
71.70355	0.6
73.02950	2.9
81.03467	1.3
83.05034	1.4
85.03000	0.8
88.98812	20.8
92.40295	0.6
93.02883	1.2
93.03465	16.8
94.03806	0.6
94.89619	0.7
95.01414	2.3
97.02937	0.6
99.00900	1.2
99.04501	0.8
105.21098	0.5
109.02977	5.9
111.04524	6.7
120.14901	0.7
125.00956	1.1
127.02541	2.0
137.02454	32.9
138.02815	1.1
149.00954	14.6
150.01140	1.2
151.02525	11.6
152.02678	0.9
153.00400	1.1
153.86038	0.7
155.03537	0.9
173.04538	2.1
175.02461	0.6
177.00438	21.8
178.00558	2.3
189.04117	0.6
191.05733	1.0
195.01521	9.1
196.01624	0.9
201.04086	4.3
202.04182	0.7
203.05641	3.1
213.02515	8.1
213.04250	1.0
214.02696	1.0
215.05627	1.6
217.07201	0.7
225.04089	4.9
227.05605	4.9
228.05971	1.5
229.03590	2.1
241.03610	1.8
243.05168	2.5
245.06723	3.1
247.04610	2.3
248.97350	0.7
253.03580	1.7
269.03098	2.0
271.04633	7.6
272.04852	1.5
273.02600	4.1
274.02823	0.6
289.02606	1.1
289.05405	3.4
291.03598	1.5
295.03131	1.2
297.02573	1.9
307.03232	1.0
307.06680	7.0
308.06964	1.4
309.01572	0.6
309.04688	3.6
315.03668	7.5
315.85806	0.6
316.03888	1.4
325.04037	1.9
325.07751	1.3
333.04712	13.4
334.04892	2.0
351.05725	27.1
352.05966	4.9
369.06812	39.4
370.07053	6.6
387.07748	5.8
388.08157	0.8
521.02020	1.5
543.12091	100.0
544.12329	22.6
581.07654	6.9
582.07642	1.7
755.12585	2.5
756.13611	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01468	0.4
57.03429	0.7
63.02394	0.5
65.00307	1.4
69.14634	2.9
71.24537	0.7
82.40015	0.4
83.01396	0.6
107.01378	1.6
108.02172	2.0
109.02935	0.8
121.02934	0.6
125.02469	2.3
133.89471	0.4
137.02385	0.6
148.01678	1.3
151.00365	7.5
151.03952	0.6
161.02290	0.5
163.00327	1.5
164.01132	0.8
167.03540	0.6
175.03976	0.6
177.01945	0.9
178.99873	3.8
191.05807	0.5
199.04021	1.0
203.03394	0.5
211.03906	0.5
215.03473	1.0
226.02760	1.6
227.03511	3.2
243.02982	13.0
244.03445	1.0
254.02167	2.5
255.02991	26.2
256.03421	1.9
271.02484	61.3
272.02954	6.7
277.47430	0.5
289.07162	1.1
299.01974	2.7
300.02768	100.0
301.03293	13.8
302.03992	0.8
302.65469	0.5
438.46548	0.5
755.20441	55.7
756.20813	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99313	14.9
69.38606	2.0
82.29249	0.3
85.20782	0.3
85.39896	0.3
87.00878	0.4
88.98815	100.0
89.99152	1.2
93.03477	0.8
137.02466	1.5
148.19669	0.3
149.83536	0.3
151.02574	0.4
153.11150	0.4
177.00441	0.8
204.07985	0.3
213.02414	0.6
238.91000	0.3
258.66150	0.4
268.58771	0.3
279.57364	0.3
294.43219	0.3
316.92838	0.4
351.05789	0.9
369.06897	1.7
543.11877	3.2
543.18378	0.4
544.12024	0.7
564.07031	0.3
665.20929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51842	0.6
57.21840	0.6
57.40932	0.7
59.01377	1.6
60.99303	1.6
67.01899	3.3
69.03462	1.0
71.01385	1.5
71.29657	0.8
71.30060	0.9
83.05055	0.7
85.02960	5.5
87.00878	4.2
93.03465	19.3
109.02962	2.4
111.04529	2.8
119.05031	6.7
121.02930	0.7
125.02428	2.8
127.04047	1.1
133.02983	2.0
137.02457	2.2
145.02925	1.2
161.02438	0.8
163.04036	7.3
164.01039	0.8
173.04544	6.0
177.01942	10.2
191.05626	100.0
192.06000	4.9
193.05011	0.7
221.08112	0.9
286.92340	0.7
287.05594	1.5
289.07303	2.4
292.45065	0.8
337.09332	26.3
338.09592	2.3
435.07526	1.1
448.71497	0.8
603.12335	0.9
707.76514	0.8
755.17535	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11292	1.8
59.01380	71.1
61.98838	2.9
66.16820	1.9
70.53778	4.0
70.54112	2.5
96.96014	2.2
100.90845	2.0
130.26521	1.9
147.04533	3.9
156.45470	2.1
167.68422	1.8
218.70927	2.0
292.43671	2.9
297.07574	2.3
325.07166	4.1
328.33331	2.0
340.09500	4.7
355.11871	11.9
357.09781	7.4
371.15259	3.0
427.37943	2.4
427.80450	2.3
465.30792	2.1
479.87234	2.5
503.17053	3.6
518.19073	2.5
533.21826	100.0
534.22107	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54145	47.7
70.64825	80.5
78.95943	100.0
95.50673	58.7
361.00479	63.7
431.27689	58.6
485.31815	65.3
631.32428	64.9
633.28278	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36901	0.3
57.03451	0.5
58.00584	0.4
59.01377	3.9
61.98813	0.4
62.29483	0.3
65.13422	0.3
69.03425	0.6
69.06639	3.5
71.01387	2.8
72.99318	0.5
73.02965	0.8
80.02685	1.3
81.03461	1.0
83.01431	0.4
83.05030	4.8
84.02167	0.7
85.02972	0.8
87.00887	0.7
89.02454	2.0
95.01406	0.5
95.05029	0.7
96.91637	0.4
97.02966	0.7
97.06616	0.3
101.02446	2.7
107.91383	0.3
111.08190	3.6
113.02451	1.5
119.03471	0.7
119.39807	0.3
125.06068	0.5
125.09805	0.4
127.07658	0.5
135.08157	0.5
145.05045	0.5
151.11334	0.5
153.12759	0.4
158.26723	0.3
161.04584	1.4
163.11322	3.6
165.12868	2.4
166.13220	0.4
167.14253	0.3
169.12340	1.4
171.10257	0.7
179.05562	0.5
181.12352	0.9
188.06673	0.3
191.10844	1.1
197.11845	17.0
198.12183	1.3
199.13426	1.5
209.11848	100.0
210.12164	8.4
211.13405	2.8
212.13890	0.3
227.12878	11.1
228.13211	1.3
235.08228	3.8
247.20557	0.3
253.09311	12.1
254.09650	0.8
263.20215	0.9
291.19687	7.7
292.20093	1.0
293.21262	0.8
309.20724	27.0
310.21051	3.4
444.34036	0.3
445.20886	1.4
463.21841	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16421	0.5
57.03465	0.5
59.01381	5.5
61.27327	0.7
71.01383	4.1
71.04996	0.7
73.02934	0.9
80.02687	1.9
81.03471	1.2
82.24923	0.5
83.01381	0.7
83.05033	4.8
84.02194	0.7
85.02961	1.2
87.00854	1.0
89.02460	2.0
95.05026	0.9
97.02959	1.1
98.22620	1.2
100.77956	0.5
101.02438	3.8
103.95325	0.5
106.02769	0.5
109.06625	0.7
111.08173	2.7
113.02459	2.1
119.03458	0.8
125.06055	1.0
125.09750	1.4
135.08133	0.7
161.04532	1.4
162.62074	0.5
163.11284	5.0
165.12869	5.1
169.12314	0.6
171.10291	4.9
179.14406	0.7
181.12326	1.6
191.10823	0.6
194.16240	0.5
197.11873	8.5
198.12177	1.1
199.13342	0.8
207.10364	1.4
209.11842	100.0
210.12137	7.0
211.13391	1.9
223.13373	1.4
225.11423	1.5
227.12883	13.5
228.13278	1.3
235.08147	2.3
239.12703	0.5
247.20695	2.7
253.09294	13.6
273.18582	1.1
291.19678	38.4
292.20053	4.8
293.21271	1.5
293.33124	0.6
301.68988	0.5
309.20740	52.7
310.21060	6.3
311.20169	0.7
312.21323	0.6
329.21176	1.4
347.22369	1.8
431.69290	0.5
519.33307	0.5
737.40979	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47964	0.5
59.01387	4.7
62.38865	0.5
69.05878	2.4
69.06298	2.3
71.01390	3.7
73.02956	1.0
80.02668	0.9
81.03447	1.3
83.05034	5.2
84.02155	0.7
85.02953	1.3
89.02445	2.5
93.01250	0.5
95.05031	1.3
97.02979	0.7
98.22557	1.0
99.26829	0.5
101.02463	3.3
111.08172	7.8
113.02427	2.0
119.03535	0.5
124.99928	0.6
127.07670	0.8
153.12854	0.6
161.04587	2.4
162.71152	0.6
163.11305	4.8
165.12891	2.9
169.12373	2.7
171.10295	1.5
181.12346	1.2
191.10828	1.1
197.11848	35.8
198.12236	2.3
199.13449	2.2
209.11850	100.0
210.12202	6.8
211.13400	5.4
227.12929	10.9
230.11101	0.6
231.01196	0.5
235.08333	2.5
253.09312	13.4
253.11766	1.0
254.09839	0.9
263.20090	1.4
265.18198	1.5
267.49188	0.6
273.18616	0.6
291.19690	12.2
292.19989	2.0
293.21265	1.4
309.20746	37.1
310.21112	4.5
433.21094	0.9
545.29791	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61206	2.5
57.03436	3.0
57.50772	2.6
57.98023	2.8
59.01383	19.4
61.98833	6.4
68.31181	3.0
71.01389	36.5
73.02950	3.5
81.03439	3.3
83.01379	4.4
83.05035	3.8
85.02952	7.4
87.70531	3.0
89.02438	9.1
98.21737	6.8
99.00874	3.7
99.04550	3.1
101.02449	12.2
102.42092	2.7
109.06602	7.6
113.02436	4.7
125.09723	4.8
127.11356	3.9
137.09761	3.1
145.05040	3.2
151.54440	2.7
161.04558	4.4
163.11279	11.8
171.10283	60.2
172.10669	5.2
181.12399	3.5
195.13890	11.0
197.11868	4.7
201.11301	28.8
207.10265	28.2
209.11847	67.5
210.12196	10.6
211.13483	4.8
215.12863	3.9
223.13342	6.2
225.11340	42.2
227.12918	11.9
228.13235	3.9
235.08051	6.4
253.09277	33.8
254.09586	2.8
275.20224	14.7
291.19687	27.3
292.19760	4.6
293.21255	100.0
294.21616	13.5
295.10504	3.2
309.20657	13.3
310.08884	2.9
461.20236	8.4
650.35272	2.8
737.40710	4.6
755.41791	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.5431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50782	2.6
58.00587	3.7
59.01092	5.1
59.01382	87.1
59.18755	2.6
62.09077	2.5
62.84774	2.4
71.01387	57.2
72.99319	6.4
74.60488	2.7
84.17827	2.5
85.02959	8.6
89.01904	3.7
89.02448	48.5
95.01407	4.1
101.02460	28.4
106.95866	2.9
113.02464	16.0
114.22770	2.6
116.40832	2.6
119.03516	33.9
124.19540	3.1
131.03529	4.8
143.03514	7.8
146.82854	3.4
161.04601	5.1
165.42178	3.3
179.05560	16.3
204.42676	3.1
225.22244	16.7
244.64906	2.8
278.24875	3.9
296.26031	6.5
303.52249	3.0
450.36588	3.1
532.47394	36.1
533.47461	12.8
533.54694	3.1
550.48346	11.9
551.48877	3.6
676.48248	3.1
685.12695	4.0
712.53809	100.0
713.54236	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29813	0.2
61.98833	100.0
82.53864	0.2
96.96046	0.2
98.22541	0.4
209.11949	0.4
228.78108	0.3
334.30792	0.2
623.48376	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56797	2.2
57.03439	5.9
69.12006	1.9
69.62749	3.4
69.63163	8.6
76.35770	2.1
80.37408	2.1
81.03454	2.6
83.01423	4.7
95.05047	3.2
97.02954	5.5
102.89534	2.0
109.02962	20.0
109.51939	2.1
121.02963	4.8
123.00801	2.8
123.04507	10.1
124.04032	2.1
125.02454	50.8
126.02753	2.0
137.02444	35.0
139.03993	9.5
146.03725	2.1
149.02435	4.3
151.04028	7.3
161.02461	9.9
161.06070	4.2
163.23068	2.0
164.01140	5.7
165.01913	14.5
167.03500	11.5
175.04089	3.1
177.01950	3.6
177.05508	2.8
179.03506	9.7
184.69458	1.8
187.04083	4.6
188.04747	3.9
203.07175	11.3
205.05109	5.5
219.06621	6.4
221.04645	3.7
227.07037	3.0
245.08195	16.6
261.07834	2.7
289.07193	100.0
290.07483	11.3
299.07758	5.6
305.06674	44.5
306.06860	4.6
451.12466	28.6
502.15823	2.2
607.96442	2.4
613.35022	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12290	1.3
57.57607	1.4
65.49095	1.4
71.01389	2.0
71.11710	1.4
83.01389	2.9
85.02967	3.3
89.03943	1.5
93.03461	4.6
94.14399	1.6
94.21996	1.5
96.96030	1.7
97.02972	2.3
97.32263	1.4
98.22615	3.2
99.92535	1.3
107.01381	4.3
107.04993	1.9
109.02948	2.5
111.04538	2.1
113.84745	1.5
119.05052	16.5
121.02966	2.6
123.04536	1.7
125.02467	6.6
133.02968	4.6
134.03766	7.4
135.04512	3.4
137.02464	6.9
139.04010	3.9
143.05049	2.6
145.02853	1.8
147.04494	2.5
149.02405	4.0
149.06044	2.6
150.03209	4.6
151.00363	2.3
161.02504	3.1
161.06142	2.8
163.00391	1.9
163.04016	13.5
164.04654	1.6
165.01932	3.3
167.03520	4.0
177.01952	6.5
178.02721	5.3
179.03456	2.5
182.28464	1.6
187.04079	2.8
189.82068	1.4
191.03690	3.3
191.05634	18.4
192.06009	3.7
193.01468	5.1
193.05037	13.0
197.04478	2.0
197.06067	1.7
205.01448	8.0
205.04938	2.2
206.02238	2.2
207.03069	2.4
219.02963	4.6
227.07141	1.8
235.02492	6.9
261.04105	2.6
269.04535	19.2
297.07721	1.6
313.07248	4.7
325.07214	3.9
326.07715	1.7
327.08652	2.1
337.09601	1.8
355.08182	20.7
356.08939	1.9
385.09354	9.4
431.09753	4.4
451.12305	1.7
475.12527	2.7
487.12540	2.1
517.13354	16.3
518.13843	1.7
547.14612	9.2
548.14471	2.0
576.79510	1.5
595.16235	2.7
637.17645	16.0
638.18292	3.1
667.18665	3.9
685.68481	1.5
757.21906	100.0
758.22308	23.6
769.18542	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00290	0.3
59.01377	0.3
60.18156	0.3
60.92042	0.2
69.23403	0.2
69.46123	1.4
71.56590	0.2
85.02967	0.3
86.11430	0.2
93.03460	0.3
106.04256	0.3
110.51964	0.2
120.80486	0.2
121.02980	1.2
125.02496	0.3
133.02963	1.2
134.03751	42.0
135.04089	1.8
137.02461	6.7
139.04016	2.0
143.10995	0.2
149.02481	1.4
149.06096	13.0
150.03215	0.9
150.06395	0.7
151.00366	0.3
164.04768	1.5
173.04637	0.3
178.02728	27.9
179.03055	1.7
179.07127	0.8
193.05067	100.0
194.05396	6.7
223.06090	0.6
269.04462	0.5
285.04001	0.3
321.84106	0.3
355.10373	13.7
356.10632	1.7
377.98615	0.2
413.06061	0.3
559.54425	0.3
616.18292	0.3
699.29688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
59.01385	6.0
59.82022	0.9
61.98841	14.9
69.09679	1.7
69.10015	9.5
71.01389	16.2
73.02918	0.9
80.02689	1.2
81.03471	1.6
82.95426	19.1
83.01398	1.7
83.05013	5.1
85.00423	2.4
85.02962	1.4
86.77909	0.9
87.00907	1.3
88.98834	1.3
89.02452	3.7
92.25188	1.1
95.01363	1.1
95.05040	1.2
96.96039	1.9
97.02964	3.5
98.21790	2.4
99.00907	1.4
101.02462	5.0
105.37477	0.9
109.06602	16.3
113.02476	1.7
116.92905	1.1
121.25294	0.9
125.02466	4.0
125.09761	1.9
132.34673	0.9
135.08194	2.2
137.02489	1.0
142.02808	1.4
151.04112	1.3
158.28717	1.0
161.04515	1.8
163.11307	11.8
165.12816	2.3
171.10277	4.2
181.12399	3.1
185.11861	2.3
199.09824	1.2
201.11417	1.4
207.10275	50.0
208.02672	0.9
208.10625	4.0
209.11848	100.0
210.12170	9.2
225.11337	29.3
226.11765	2.6
227.06767	2.2
227.12883	17.5
228.13307	1.9
235.08296	3.8
253.09277	10.9
261.05460	2.4
289.07190	1.7
344.50085	1.1
399.21802	4.1
417.23254	2.2
443.19171	2.1
445.20584	1.3
461.20245	10.6
462.20764	2.4
635.30957	3.7
653.31866	5.7
671.32916	8.9
672.33179	4.3
704.35791	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37291	1.2
59.01373	7.5
61.98832	20.8
67.84215	1.3
69.07756	3.0
69.08157	12.0
71.01388	25.4
72.01711	2.2
73.02975	1.9
79.08012	1.4
82.95426	4.9
83.05026	5.4
84.95138	2.8
85.00436	14.5
89.02456	4.6
92.27556	1.5
96.96014	4.5
96.96984	1.8
97.02952	2.8
98.21977	5.9
99.00888	8.8
101.02435	3.2
109.06561	8.7
113.02420	2.2
116.92869	8.6
117.92897	1.5
125.09725	3.4
135.08127	1.9
142.02701	1.5
143.03496	1.5
153.09241	1.5
161.04573	2.8
161.15443	1.3
163.11266	9.9
171.10274	9.3
181.12404	12.9
185.11745	2.1
189.09178	2.0
191.85587	1.5
198.21144	1.5
199.13457	8.7
201.11330	2.2
207.10304	29.0
208.10648	3.1
209.11856	100.0
210.12180	12.2
211.13426	1.5
225.11349	46.7
226.09425	1.5
226.11612	3.9
227.12918	24.2
228.13136	1.8
235.08273	4.6
243.12425	11.5
245.55565	1.5
251.31343	1.5
253.09229	11.1
261.05258	1.5
327.22009	1.9
328.22092	1.5
376.37131	1.8
399.21954	2.9
417.22769	2.3
443.19235	2.9
461.20248	11.1
479.21301	9.1
635.30994	1.9
636.31793	1.8
653.31268	8.7
654.32117	2.8
671.32727	10.2
672.32947	3.7
689.33710	16.4
690.34131	5.0
721.36310	5.7
722.36102	3.1
757.34485	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32155	17.0
54.62648	15.4
57.34381	16.0
59.01393	25.0
59.19044	17.7
60.50405	16.6
61.98829	39.5
62.27451	18.6
71.01375	22.8
72.05573	18.6
78.95901	61.9
81.54691	23.2
96.41123	18.7
101.02440	23.7
116.71530	18.4
121.55989	18.5
152.99641	45.8
207.10297	41.2
208.96942	19.0
225.11325	52.9
235.08456	18.4
243.11021	18.7
277.21909	100.0
369.56406	20.3
373.23257	20.5
451.32275	22.3
522.39575	19.1
721.41504	31.9
757.40057	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	54.1
61.98821	12.2
74.64747	4.2
78.22928	4.1
78.95878	5.7
88.98831	9.3
89.02453	6.3
90.02191	4.3
101.30451	4.5
109.06588	9.4
163.11345	4.7
186.42462	4.1
207.10274	49.9
225.11359	18.2
228.79945	4.6
235.08243	9.2
253.09271	8.1
277.21735	100.0
278.22134	10.0
402.59271	4.4
440.32755	4.5
544.36584	4.7
653.46277	7.2
673.32245	5.2
697.57501	5.8
721.41803	46.5
722.42181	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32155	17.0
54.62648	15.4
57.34381	16.0
59.01393	25.0
59.19044	17.7
60.50405	16.6
61.98829	39.5
62.27451	18.6
71.01375	22.8
72.05573	18.6
78.95901	61.9
81.54691	23.2
96.41123	18.7
101.02440	23.7
116.71530	18.4
121.55989	18.5
152.99641	45.8
207.10297	41.2
208.96942	19.0
225.11325	52.9
235.08456	18.4
243.11021	18.7
277.21909	100.0
369.56406	20.3
373.23257	20.5
451.32275	22.3
522.39575	19.1
721.41504	31.9
757.40057	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19908	2.2
59.01373	12.5
61.98839	4.5
71.01386	90.2
72.75024	2.3
76.53441	2.7
78.95930	5.3
89.02458	4.3
98.22533	7.8
101.02411	5.2
109.06630	12.1
125.09700	4.2
127.11282	3.7
135.08107	2.4
152.99617	5.3
161.33131	2.1
163.11275	5.5
171.10280	100.0
172.10625	6.7
199.09787	20.5
199.13515	3.1
201.11330	26.6
202.11618	2.6
203.94250	2.4
207.10263	25.6
215.12935	2.5
225.11307	16.8
231.14871	2.4
235.08241	3.2
243.12317	4.3
253.09325	11.9
277.21753	74.4
278.22058	9.1
435.18787	4.6
461.20135	8.0
757.43408	24.4
758.44110	6.6
776.16339	2.5
785.18567	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	37.4
59.01382	27.5
61.98826	4.9
63.41477	2.3
70.60701	9.1
71.01385	99.1
73.02945	15.2
78.95899	4.8
81.03493	5.0
83.01385	5.9
83.05079	2.6
89.02460	4.4
97.02992	4.8
99.04520	35.4
101.02443	21.9
109.06615	9.2
113.02459	5.5
123.04524	3.4
125.02474	32.0
127.11246	3.9
138.92407	3.3
143.03555	3.6
146.68375	4.2
161.04561	4.8
163.11223	4.7
171.08807	4.8
171.10280	100.0
172.10576	6.9
181.12352	4.3
190.64825	3.3
199.09781	16.9
199.13464	3.5
200.10101	2.7
201.11304	25.5
207.10278	24.3
225.11244	15.1
238.44635	3.6
253.09331	10.0
277.21744	74.5
278.22079	7.2
287.68619	2.8
305.08878	5.3
435.18250	4.0
451.32153	74.7
452.32587	14.2
461.20761	3.9
714.43579	3.6
757.43298	15.0
758.43237	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06981	1.9
59.01383	14.2
61.88339	2.0
61.98834	4.5
62.19331	2.0
66.43526	2.3
71.01391	78.0
71.22392	2.1
72.01693	2.5
75.08821	2.0
78.95920	2.6
81.64931	2.2
85.78861	2.3
87.00864	3.7
89.02443	2.4
98.22529	4.9
99.00861	3.6
101.02464	4.4
108.09328	2.2
109.06542	2.8
113.02430	3.4
125.02460	3.2
163.11310	3.5
171.10295	47.1
172.10652	2.6
194.54216	2.2
199.09827	10.7
200.61186	2.3
201.11322	9.8
207.10374	11.6
225.11288	11.6
235.08194	5.1
243.12447	2.5
253.09366	11.1
277.21765	100.0
278.22128	12.7
338.16129	2.2
372.39200	2.6
376.64569	2.3
451.32089	4.4
569.26617	2.5
739.42682	2.5
757.43292	12.0
758.44678	3.9
759.22119	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
71.01363	0.8
73.02943	2.1
73.78075	0.2
75.00860	0.8
78.95909	0.3
87.00887	0.2
99.00884	1.4
99.92596	10.6
100.92594	0.7
112.84236	0.2
112.98547	0.3
114.93437	1.5
115.00394	1.7
116.92870	100.0
116.97260	0.7
117.01951	4.4
117.92880	6.2
117.93678	0.5
125.32432	0.2
171.10298	0.3
246.79390	0.2
277.21805	0.3
313.16092	0.2
369.80066	0.2
555.19269	0.4
677.20148	2.7
678.20563	0.8
725.82513	0.3
735.32141	0.2
759.26208	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80575	1.9
58.00591	3.1
59.01384	84.9
60.64620	2.0
61.98825	9.1
71.01389	74.9
71.28565	3.1
72.99297	7.1
73.02956	2.9
74.40523	2.3
83.01401	2.8
85.02968	10.1
87.00864	4.7
89.02457	100.0
95.01426	2.8
101.02454	32.0
103.64647	2.4
113.02464	29.4
119.03506	40.0
120.30656	2.1
125.02450	4.2
126.28284	2.2
131.03560	6.5
134.77452	2.4
135.04559	3.9
143.03516	9.6
149.04553	5.5
161.04521	7.2
175.64087	2.3
179.05634	22.1
180.07906	15.9
195.10301	3.4
208.07382	5.6
223.09801	22.9
239.26486	2.4
239.59360	2.3
289.07422	3.6
361.48047	2.3
379.54526	2.3
415.11566	2.8
428.12723	4.7
429.13535	3.2
434.95862	2.7
444.11908	4.2
459.14462	21.2
471.14383	11.8
474.16983	16.7
475.16852	3.6
486.16306	2.6
489.19336	23.1
490.19580	3.7
501.19345	4.4
519.20276	36.3
520.20825	6.0
715.37604	2.5
786.33722	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.77374	1.0
60.01707	1.6
61.98837	1.5
62.69138	0.9
69.10680	7.9
69.11083	1.7
74.65936	0.8
86.53735	0.9
88.99091	0.9
103.01507	63.3
103.57645	1.0
106.42160	1.0
232.41571	1.0
540.00873	1.1
578.70758	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01716	1.3
61.98834	0.5
69.70646	0.5
70.90694	0.5
75.00867	0.8
79.12163	0.5
79.80740	0.4
98.21730	1.0
103.01504	64.0
104.01820	0.9
126.74979	0.4
216.59029	0.5
412.77771	0.5
463.08600	0.5
501.43338	0.5
552.97467	0.6
704.58905	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38014	7.0
57.02067	6.2
57.03433	12.7
59.01390	6.2
61.98824	13.5
67.65410	6.1
78.95942	13.4
84.20669	6.4
88.64700	5.9
98.22552	15.0
99.04497	14.8
101.02432	10.2
112.31166	6.1
125.02475	13.5
170.56680	7.0
209.11804	51.4
227.12868	12.3
235.08388	13.0
253.09047	8.7
268.38345	7.2
276.40125	6.7
277.21722	100.0
278.21930	15.7
349.22864	6.5
453.33621	46.1
454.33820	11.5
493.10507	8.1
620.21893	8.0
759.42615	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	18.8
61.98824	4.4
63.17078	3.4
70.95953	8.0
71.01392	4.6
77.99381	3.2
82.38577	3.7
85.36994	3.3
99.04536	3.6
100.25003	3.1
112.92952	3.1
183.89049	3.8
209.11838	100.0
210.12172	5.7
227.12923	17.2
253.09309	10.1
273.96268	3.6
277.21738	51.4
278.22037	6.6
453.33966	7.3
759.41284	9.3
760.40515	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49100	0.5
57.03453	39.5
59.01385	11.4
61.98817	0.8
70.94479	1.1
71.01385	4.9
73.02956	4.6
81.03467	4.4
85.02944	2.1
91.24241	0.6
99.04530	50.8
100.04847	1.5
101.02450	9.2
113.02442	4.3
115.90823	0.7
125.02457	51.8
126.02785	2.2
139.46826	0.7
143.03516	4.4
153.13599	0.6
161.04555	2.7
207.10193	0.6
305.08813	5.2
319.53818	0.6
371.98361	0.6
377.41562	0.6
453.33762	100.0
454.34167	18.4
467.35330	2.8
477.33688	0.7
495.34628	2.7
715.44379	1.0
759.42749	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	36.9
59.01385	12.3
63.71754	0.8
63.84585	1.0
69.20416	6.1
71.01394	6.7
73.02949	11.3
75.69772	0.9
81.03470	3.6
83.01389	4.1
85.02984	1.9
97.06597	1.0
99.04529	36.4
99.64482	1.0
101.02450	16.8
113.02462	1.3
113.06101	1.1
123.04553	4.2
125.02464	33.9
141.05582	1.1
143.03508	3.7
161.04619	2.6
203.05571	1.1
250.05362	0.8
280.09772	0.9
303.13919	0.9
305.08774	5.9
350.45996	1.0
445.76434	1.1
453.33752	100.0
454.34070	19.7
466.03183	1.3
467.35495	7.0
468.35938	1.1
491.03653	1.1
495.34781	2.6
541.87408	1.2
715.44482	1.5
759.43396	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65770	0.5
59.01372	2.1
60.99310	16.4
61.00093	0.5
61.98830	3.0
67.37643	0.5
71.01375	0.6
75.34582	0.5
85.00464	2.7
87.00897	1.4
88.00399	0.6
88.98813	100.0
89.02435	2.7
89.99145	1.2
96.96027	1.4
98.22421	1.7
101.95971	0.5
103.01517	1.4
116.92836	0.7
117.78482	0.5
121.02953	0.6
171.10306	1.2
191.05682	1.0
201.11278	3.2
209.11874	1.3
222.97049	0.5
253.09439	1.2
269.15701	0.5
314.82260	0.5
341.23404	0.9
369.13321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.5
58.00577	3.3
59.01382	79.4
60.01700	1.1
61.00457	0.8
68.21001	0.8
71.01388	49.8
72.01704	1.1
72.99317	3.9
73.02964	1.3
82.87984	0.8
83.01385	2.3
85.02960	10.7
87.00865	3.1
89.02451	64.3
90.02813	0.8
95.01402	2.9
101.02447	25.1
103.05551	1.5
113.01737	1.5
113.02463	20.5
119.03507	27.5
119.04935	1.7
122.89260	0.8
125.02476	1.0
131.03503	2.9
132.77359	0.8
143.03487	6.6
147.04533	100.0
148.04848	5.9
148.25183	0.8
149.04539	2.5
152.63052	0.8
161.04558	8.6
179.05626	31.7
180.05980	1.5
191.05600	1.9
291.79279	0.8
327.10864	73.0
328.11212	8.2
329.11328	1.1
356.27057	0.8
443.03741	0.9
536.52264	1.0
623.68768	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05779	0.5
54.18287	0.5
59.01380	0.6
61.98845	3.2
68.99576	91.8
71.32002	1.1
73.47999	0.5
88.98822	0.7
89.02412	0.5
112.98577	100.0
113.98881	1.0
129.76566	0.5
217.00256	0.5
251.16539	1.6
266.73132	0.5
382.09772	0.6
680.70245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	7.6
61.98834	100.0
67.19324	7.2
69.48460	15.3
69.48875	30.7
71.01417	7.8
71.91142	6.1
75.20487	6.1
85.62173	6.2
87.87770	7.0
90.34198	6.9
102.20702	6.9
288.25137	6.3
341.88974	6.4
369.18118	6.8
455.34680	13.5
553.86865	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89400	0.9
57.03453	17.9
59.01381	7.1
61.98828	8.1
70.49526	1.3
70.49859	1.9
71.01399	4.7
73.02958	6.0
78.79292	0.9
78.95916	1.0
81.03466	1.9
92.19537	0.9
93.49363	1.0
99.04533	14.2
99.92603	10.9
100.92609	2.1
101.02461	8.5
101.92429	1.3
116.92875	100.0
117.01960	3.3
117.92891	26.0
118.91849	3.6
118.92699	9.7
118.93405	1.6
118.97010	1.1
119.03484	1.0
119.94711	4.8
123.04517	2.3
125.02463	15.8
161.04582	0.9
305.08755	3.1
455.28897	1.8
455.35349	37.8
456.35724	7.1
469.36835	1.6
497.36353	1.4
498.36880	1.1
540.10138	0.9
671.87842	1.1
677.19073	1.3
679.20038	3.5
680.20496	2.0
761.45282	1.8
762.44861	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	38.6
58.13674	1.7
59.01393	10.2
61.98824	4.1
65.37862	1.7
71.01384	4.1
73.02944	3.5
81.03450	4.0
99.03864	2.5
99.04529	53.2
100.04855	2.0
100.07142	2.0
101.02438	11.1
113.02447	5.6
125.02465	48.3
125.06949	1.6
126.02773	2.0
133.35725	1.6
135.96181	1.6
138.70755	1.6
143.03493	4.7
161.04518	2.6
228.93608	2.5
249.14946	3.9
255.23082	1.9
293.21313	4.1
305.08740	7.1
454.43585	2.3
455.35358	100.0
456.35760	22.3
761.44861	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.9
61.98836	9.3
71.01383	3.2
71.09629	2.3
76.63699	1.7
89.02417	1.9
101.02436	2.3
107.93078	1.6
108.59399	1.5
113.02449	3.2
140.74854	1.7
147.38116	2.0
167.10774	2.3
172.18546	1.7
195.13982	6.2
205.12344	7.2
223.13408	79.4
224.13715	7.3
235.08232	4.1
253.09407	9.3
277.21750	100.0
278.22064	11.5
281.24973	2.5
289.73413	1.9
363.65683	2.2
441.21722	2.4
459.22437	5.5
513.30719	2.2
763.39410	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17615	0.6
59.01380	1.6
60.46021	0.6
65.44589	0.6
70.91671	0.6
71.01390	2.0
78.95909	83.8
79.69686	0.6
87.00857	0.7
89.02441	1.5
89.80196	0.6
96.96043	21.4
96.96966	100.0
101.02430	1.3
110.89914	1.1
113.02393	0.7
150.66489	0.6
179.05624	1.3
199.83537	0.6
221.06529	0.8
259.02100	2.0
341.10593	1.2
383.11743	2.6
443.14081	0.8
628.93286	0.7
665.21338	5.3
763.19116	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.0
59.93073	0.4
62.96406	0.4
65.40136	0.4
69.47557	1.9
69.47850	0.4
71.01380	1.5
78.95910	80.0
79.95746	3.6
81.47519	0.4
89.02461	1.2
96.96031	91.2
96.96976	100.0
97.95981	0.5
101.02460	1.3
115.53903	0.4
125.54817	0.4
176.84349	0.4
179.05589	0.8
196.28598	0.4
258.99231	0.4
259.02240	2.3
341.11267	0.7
383.11978	1.9
443.14285	0.6
447.34982	0.4
665.21539	3.0
666.21991	0.5
763.19080	6.3
764.19531	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99312	16.7
61.98844	0.4
79.64581	0.3
80.99478	0.2
87.00877	1.0
88.00429	0.3
88.98814	100.0
89.02444	2.4
89.99130	1.3
98.21787	0.9
113.26463	0.3
122.12598	0.3
125.02439	0.4
129.11000	0.3
209.11836	2.1
210.12178	0.5
216.34854	0.3
227.12964	0.5
261.29596	0.3
749.86713	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96024	0.3
57.03443	1.0
58.26019	0.3
58.94718	0.3
59.01375	1.2
60.30859	0.3
60.33873	0.3
61.98806	0.3
68.40306	0.4
69.03477	0.4
69.18173	0.3
71.01387	0.8
71.04999	0.3
73.02939	0.4
80.02680	1.3
81.03455	0.9
82.21609	0.3
83.05034	4.2
84.02170	1.7
85.02980	0.3
89.02457	1.3
93.03491	0.8
95.05047	0.4
101.02466	0.4
102.88660	0.3
111.04610	0.3
125.02422	0.3
125.06132	0.4
125.09743	1.1
127.11290	1.1
135.08199	0.5
137.09723	1.2
153.12910	0.5
155.10809	1.4
163.11298	3.1
165.12909	1.9
171.10292	3.3
173.04497	0.4
179.05688	0.4
185.11819	0.7
191.05670	2.3
191.10791	1.1
192.05997	0.3
201.15138	0.4
209.11844	50.5
210.12119	3.8
227.12906	13.4
227.14714	0.3
228.13272	0.7
229.14452	0.7
285.20749	1.3
325.23911	1.1
337.23904	0.5
343.25116	0.5
355.25000	1.8
371.24246	0.7
373.25967	100.0
374.26309	13.9
374.31137	0.6
387.27240	0.6
404.50339	0.4
415.27252	0.9
451.36316	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54575	0.2
61.98834	100.0
68.81358	0.2
77.15154	0.2
79.80344	0.1
81.76951	0.2
84.22449	0.2
87.87981	0.2
88.98824	0.7
89.99179	0.2
94.98102	0.2
96.76959	0.1
96.96087	0.2
98.22601	0.4
112.22159	0.2
125.02478	0.2
127.66399	0.2
134.89456	0.2
209.11961	0.3
302.79495	0.2
312.25021	0.2
353.98410	0.2
502.33810	0.2
565.13501	0.2
630.53015	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18772	2.0
61.98819	9.4
68.66393	2.4
71.01379	4.0
71.82120	2.4
89.02454	2.7
97.02956	4.1
99.00879	6.5
113.02476	2.5
163.11304	5.2
181.12328	10.7
207.10248	22.2
225.11359	54.9
226.11595	6.1
235.08243	3.4
243.12346	6.6
253.09250	3.2
277.21732	100.0
278.22119	15.0
348.06866	2.3
443.18961	5.4
461.20346	3.7
606.74249	2.8
721.41986	17.4
722.41913	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	4.2
61.96720	1.7
61.98822	3.6
71.21279	2.1
72.91402	1.6
78.53231	1.5
81.14349	1.7
85.35857	1.5
89.02446	2.3
97.02963	4.0
99.00887	5.6
101.02470	2.3
125.09721	1.7
163.11263	5.4
181.12347	12.8
207.10281	36.8
225.11328	100.0
226.11694	4.8
243.12381	7.6
253.09311	2.5
277.21750	83.4
278.22122	6.7
443.19019	4.6
461.20343	40.4
462.20886	3.6
721.41705	24.6
722.41528	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04179	4.0
56.38568	4.0
59.01388	4.5
61.98841	9.7
71.01382	6.1
71.31918	4.3
73.02934	5.1
73.79940	3.7
87.00902	3.9
88.10406	3.9
93.93446	3.6
96.96014	9.7
109.06588	13.2
163.11250	10.6
207.10303	43.6
211.65553	3.8
225.11279	21.8
235.08102	5.9
253.09184	7.7
277.21777	100.0
278.22076	15.2
460.74475	4.2
461.20218	4.9
721.41449	16.8
722.41815	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66724	3.1
59.01366	9.9
71.01402	4.7
83.05034	4.1
83.54044	2.7
101.02432	3.3
106.64808	2.8
109.06606	30.9
135.08141	4.5
148.95464	3.1
152.02629	2.8
163.11304	12.4
181.12300	3.2
189.09142	3.5
204.08366	2.9
207.10274	100.0
207.71671	3.0
208.10580	4.4
225.11348	37.8
250.40175	2.9
253.09241	18.2
277.21741	77.0
278.22079	6.2
443.19003	6.7
461.20288	19.1
721.41638	38.9
722.41583	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03938	0.3
61.98834	100.0
67.43725	0.4
69.59057	0.4
71.01384	0.6
78.98598	0.8
79.95747	1.4
80.96517	7.9
85.77165	0.5
86.44889	0.4
94.98096	2.2
98.21820	1.5
106.98061	0.6
122.97591	0.5
134.97612	0.6
148.99149	0.7
152.98692	0.9
161.91606	0.5
164.98697	1.4
225.00711	2.6
255.23357	0.7
491.49432	0.6
697.08234	0.6
750.63464	0.7
765.41199	6.0
779.99225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	21.5
61.98811	5.9
71.01377	15.5
71.30537	4.4
71.91015	2.8
78.95906	7.6
84.91920	2.8
85.02979	4.3
89.02450	25.2
90.13638	3.4
101.02429	18.6
113.02450	8.7
119.03538	15.5
120.19379	2.8
131.03474	4.8
143.03505	4.6
179.05582	10.3
190.14311	3.0
211.13466	4.7
271.22705	3.3
548.46924	24.6
566.47601	4.4
728.53149	100.0
729.53595	34.7
764.39307	3.9
764.51007	33.8
765.39514	17.7
765.52661	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	4.6
59.01384	69.7
67.12466	4.7
70.03005	7.8
71.01382	47.8
78.95898	20.0
85.02970	11.5
87.00897	4.8
89.02449	62.9
98.02480	28.1
101.02438	32.8
113.02454	20.4
119.03533	27.7
143.03491	8.9
149.04610	9.4
157.48222	5.3
161.04375	5.3
179.05623	27.8
211.13354	15.2
225.22325	14.5
228.84195	5.7
241.01033	6.0
255.23369	8.4
277.21646	5.1
322.23624	5.2
324.25424	36.2
325.26089	8.1
530.45532	51.8
548.46777	15.5
726.51270	10.5
728.53174	100.0
729.53632	31.4
764.51227	43.5
765.40259	23.6
765.53131	7.5
777.78607	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
62.42846	0.5
64.65686	0.6
71.27176	0.8
72.99314	6.3
75.00879	93.0
76.01249	1.1
91.96919	0.5
109.02970	0.9
123.04566	0.8
125.02433	1.0
132.86365	0.5
136.05289	0.9
137.02405	0.7
137.06108	1.4
140.05322	0.7
153.05602	1.2
163.11253	0.7
165.09262	0.7
177.01947	1.0
179.07117	2.7
182.57698	0.5
185.30524	0.6
195.10437	0.5
200.15515	0.5
207.10240	3.0
219.10367	0.7
237.11420	1.1
255.94800	0.7
289.07187	1.5
301.42871	0.6
313.12949	100.0
314.13324	10.2
458.87137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.8
61.61285	0.3
61.98827	0.6
69.09875	2.9
73.02955	3.2
75.00881	3.0
97.93089	0.3
99.00883	1.6
99.92597	11.7
114.93452	0.5
115.00453	0.5
116.92876	100.0
116.97252	4.6
117.01955	7.2
117.92893	6.5
413.07166	0.3
451.43365	0.3
580.69983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65762	2.0
70.66113	1.8
71.01384	4.0
78.98599	4.8
79.95744	7.1
80.96040	1.9
80.96523	39.3
87.00916	1.9
92.08390	0.8
94.98087	10.3
97.02973	1.3
98.59387	1.0
101.02439	1.4
106.98069	1.1
115.68977	0.9
122.97592	1.5
125.02451	2.4
134.97583	2.5
144.16342	1.1
148.99158	3.9
152.98656	3.9
164.98669	6.9
206.99683	2.2
225.00743	13.6
299.17480	1.0
301.90884	1.2
313.63708	1.2
509.17133	1.7
537.27893	1.6
765.41010	100.0
766.41431	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
63.96248	1.4
69.03448	1.3
69.13995	6.5
71.01389	11.1
72.78616	0.7
73.02947	1.8
78.95916	1.3
78.98594	8.7
79.95746	17.0
80.96523	100.0
87.00884	3.3
94.98089	23.1
96.96009	1.4
97.02965	2.4
98.21813	1.7
101.02453	2.9
106.98112	4.9
122.97570	3.6
125.02460	2.6
127.04024	1.3
134.97594	5.6
136.99173	1.3
148.99152	6.8
152.98633	7.1
164.98625	12.6
167.09456	0.8
192.68796	0.7
206.99706	3.2
209.11841	2.6
224.28392	0.8
225.00749	20.5
226.01089	0.9
255.23395	1.7
329.23242	1.1
394.10147	0.7
487.57834	0.9
509.17212	2.8
537.26984	1.1
765.40985	98.5
766.41345	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
63.87255	1.2
67.35380	1.1
69.05784	8.7
69.06189	3.2
70.21188	1.1
71.01396	4.4
78.98606	3.0
79.95729	8.2
80.96526	50.3
86.58604	1.5
87.00893	2.0
94.98092	10.9
96.96019	1.0
106.98097	1.4
125.02423	1.9
134.10555	1.4
134.67418	1.3
134.97600	3.4
148.99084	1.8
152.98705	3.0
157.92165	1.2
162.07982	1.2
164.98654	5.5
168.29787	1.2
169.24377	1.1
225.00754	8.1
274.02484	1.2
287.82062	1.2
461.34647	1.3
509.16977	2.6
726.90436	1.4
765.40973	100.0
766.41449	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52632	0.3
61.98836	100.0
83.01414	0.2
88.98817	0.4
98.21790	0.4
99.92625	0.2
100.98792	0.2
116.92868	0.4
125.02484	1.0
137.02470	0.3
151.04068	0.5
161.02663	0.2
209.11943	0.8
229.30739	0.3
283.03879	0.3
289.07260	0.5
376.99707	0.2
413.36832	0.3
783.74146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78879	0.1
59.01404	0.2
60.99306	0.2
61.98833	100.0
66.56905	0.1
71.01414	0.2
75.24005	0.1
77.34880	0.1
88.98826	0.7
96.96046	0.2
120.80326	0.2
121.03009	0.2
123.04495	0.2
125.02520	0.2
138.71318	0.2
154.23276	0.1
168.82721	0.1
179.05482	0.1
208.36800	0.1
209.12010	0.2
210.95451	0.2
219.67340	0.1
228.76118	0.2
380.79160	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32003	1.2
59.01368	2.6
71.01382	3.7
74.47758	1.3
80.02687	1.7
83.05018	4.1
89.02462	2.2
101.02438	4.0
117.03974	1.3
163.11346	1.5
174.68500	1.2
198.04346	1.5
209.11830	79.2
210.12166	6.0
225.79793	1.3
227.12863	8.8
227.48936	1.3
235.08240	5.4
253.09296	9.8
277.21735	100.0
278.22073	13.9
280.01202	1.3
302.93527	1.4
304.35086	1.2
359.22986	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	12.0
60.35790	2.5
61.98835	63.9
63.04338	2.3
64.02499	2.9
71.01390	6.1
71.32019	4.7
82.51434	2.6
83.17901	2.6
96.96024	8.5
97.02926	2.3
99.04527	68.8
103.01488	2.8
111.93229	2.6
121.02967	35.1
122.03248	2.9
125.02470	4.8
136.73972	2.4
171.10300	4.2
172.25685	3.0
201.50107	2.7
209.11847	8.7
211.13435	2.7
251.16634	2.7
253.08928	4.5
264.04395	5.0
265.05002	5.6
270.22784	3.4
271.02573	3.5
281.04764	3.8
293.04550	17.1
294.05222	5.1
297.07666	4.4
301.07108	7.5
308.06842	3.9
309.07541	3.4
325.07227	7.1
336.06238	3.1
337.07175	8.2
351.08685	19.6
353.06952	6.5
354.07101	4.0
355.08072	6.4
368.09103	17.0
383.11389	37.1
384.11536	5.0
401.12402	12.2
457.88525	3.2
468.14694	4.0
483.16602	100.0
484.16946	16.4
605.20074	14.5
645.21838	14.8
767.37213	3.5
779.72015	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
61.98827	14.0
69.10129	2.6
69.10552	4.3
85.02906	0.8
93.03474	0.8
96.96032	1.2
99.04515	9.0
108.62611	0.7
121.02966	100.0
122.03284	3.9
125.02471	1.6
138.27379	0.8
146.24066	0.7
166.09752	0.7
168.35526	0.6
204.32938	0.8
209.11812	4.5
211.13313	2.0
253.09073	0.9
264.04288	2.4
265.05072	2.0
289.18665	0.9
293.04608	8.1
294.05286	3.3
297.07739	1.3
308.07117	1.1
309.07977	1.3
325.07410	1.8
336.06525	1.5
337.07294	3.0
351.08749	9.0
352.09317	1.1
353.06863	2.3
367.08289	1.3
368.09064	6.3
369.09579	1.6
383.11377	25.9
384.11758	3.0
434.34280	0.7
468.97397	0.8
483.16232	2.0
484.16577	0.9
505.15118	20.0
506.15497	3.6
545.16742	3.1
567.34918	0.9
605.20563	1.2
652.17877	2.1
667.09064	1.6
667.20319	20.4
668.21008	6.5
767.25110	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80136	1.1
57.03444	1.7
58.00585	1.5
59.01384	42.8
69.17120	10.8
71.01385	23.5
72.99321	1.7
73.02942	1.9
74.96722	1.0
83.01424	1.5
85.02958	5.4
89.02446	26.9
95.01405	2.6
98.21764	2.0
101.02436	12.3
113.02464	10.8
119.03506	8.9
123.04565	2.0
125.02457	8.7
137.02478	1.5
137.09726	4.6
143.03496	2.1
143.07079	2.2
149.04573	1.4
151.04001	2.2
153.17381	1.5
155.10791	100.0
156.11115	6.1
161.02380	2.1
179.05641	5.9
191.05568	1.5
191.23514	1.3
199.09764	75.4
200.10074	6.8
217.10797	3.5
231.66316	1.2
243.02954	1.4
260.64874	1.2
272.35483	1.2
285.08871	7.9
289.07227	1.7
317.11560	2.7
379.11615	5.0
379.16101	90.6
380.16360	10.1
410.12933	1.4
630.05872	1.4
632.79626	1.4
655.73096	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35600	13.0
69.36002	4.9
71.01370	8.5
78.98591	9.8
79.95734	15.3
80.96525	100.0
87.00898	4.3
94.98093	25.5
106.98058	5.1
122.97569	6.6
125.02496	3.6
134.97597	10.2
148.99152	9.7
152.98657	8.2
164.98621	20.2
165.65976	2.8
197.11787	4.5
205.12682	2.6
206.99727	2.9
225.00749	29.2
265.59988	3.3
473.65024	2.6
495.56921	2.9
511.18649	3.1
767.42914	33.0
768.42542	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.2
60.99312	16.9
61.65921	0.2
67.99674	0.2
87.00885	1.1
88.00437	1.1
88.98814	100.0
89.02452	4.2
89.99147	1.0
143.32616	0.2
165.05638	0.3
229.14204	0.3
289.07294	0.2
345.13391	0.2
443.20682	0.2
578.99811	0.3
661.90247	0.3
677.49426	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.3
61.98835	100.0
71.01400	0.4
71.31310	0.2
78.95919	1.0
79.95750	0.7
90.31471	0.2
94.98113	0.6
96.96021	13.5
96.96921	0.9
98.21999	0.1
125.02435	0.2
126.03636	0.1
175.04225	0.1
207.10287	0.4
209.11887	0.4
225.11377	0.2
265.07791	0.3
524.38196	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99054	0.1
61.98837	100.0
62.98538	0.3
68.03015	0.1
69.40215	0.1
70.51437	0.1
107.61861	0.1
115.04299	0.2
132.69252	0.1
228.84564	0.2
540.32336	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42231	1.1
57.03442	1.9
59.04319	1.4
65.97165	1.2
71.30081	1.9
72.38653	1.2
78.95904	1.7
85.02961	3.6
87.77885	1.2
93.03485	3.1
96.96922	1.2
111.04523	1.8
119.05039	48.3
120.05428	2.2
125.02454	5.7
155.03508	1.9
163.04025	100.0
164.04405	6.0
165.94696	1.4
172.43282	1.4
173.04521	2.7
174.50514	1.2
191.05615	22.4
213.54575	1.3
337.09311	34.8
338.09634	3.9
731.14447	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2199
Annotation	7-Methylquercetin-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
56.19669	0.8
61.31126	0.8
63.02415	1.0
65.00317	1.7
66.77359	0.8
67.44443	0.7
68.76416	0.9
69.60941	4.8
83.01402	1.5
101.04015	1.1
101.21066	0.8
107.01396	2.4
120.02025	0.8
123.04510	0.9
125.02480	5.7
143.05084	1.1
145.02975	1.8
151.00388	9.3
151.04080	1.1
151.37604	0.8
153.27849	0.9
155.71278	0.8
159.04524	1.2
163.00412	1.0
165.01881	1.0
169.01390	1.0
171.04532	1.2
178.99872	2.6
183.04555	2.8
187.04041	2.0
199.04025	10.1
200.04639	1.4
201.01955	1.0
203.03500	1.1
215.03606	4.2
216.57277	1.1
222.78447	0.8
227.03529	8.9
228.03970	1.4
233.27554	0.8
242.02197	8.7
243.02985	40.8
244.03439	3.2
245.09119	1.0
255.02998	15.7
256.03397	2.3
257.04602	6.7
270.01645	8.1
271.02487	54.7
272.02884	6.4
285.04059	12.1
286.04816	5.0
287.05655	3.4
291.07996	0.9
299.01987	100.0
300.02603	28.4
301.03165	1.6
313.03525	2.2
314.04346	89.5
315.05023	32.6
316.05490	3.0
357.06192	1.2
392.95740	1.1
470.55792	0.9
605.14624	1.4
769.22028	98.5
770.22430	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01923	0.6
55.02184	0.6
57.03442	0.9
59.01378	1.6
59.90368	0.7
61.98835	100.0
63.96242	1.3
71.01390	7.9
73.02956	2.3
78.95892	0.7
78.98586	4.0
79.95294	0.5
79.95741	13.0
80.96524	70.5
81.03485	0.9
85.02969	2.6
87.00902	3.0
87.13692	0.7
94.98098	15.4
94.98701	0.9
96.96037	1.9
97.02970	1.1
101.02467	2.2
106.97421	0.7
106.98092	4.1
109.22401	0.7
122.97585	3.0
123.27473	0.7
125.02444	5.1
134.97581	5.1
136.99123	1.5
137.02493	1.1
141.50795	0.6
148.99142	5.6
151.04053	0.7
152.98642	5.9
152.99644	0.7
164.98639	11.8
206.99750	2.3
209.11838	4.8
210.12238	0.8
225.00735	20.5
289.07321	1.1
509.17133	2.6
541.19586	1.6
769.33246	80.6
770.33600	23.5
770.45020	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
59.01382	5.7
61.98827	6.3
69.00796	5.6
69.03450	0.8
71.01388	4.8
71.05030	0.6
72.85189	0.5
73.02934	1.4
80.02689	2.0
81.03468	1.5
83.01393	0.8
83.05030	6.9
84.02177	1.2
85.02924	0.9
87.00881	1.3
89.02451	3.4
95.01360	0.6
95.05029	1.9
96.96017	0.9
97.02962	1.5
97.06584	1.6
99.00867	0.8
101.02459	4.4
107.05034	2.7
109.06605	2.3
111.00917	0.7
111.04507	0.7
111.49474	0.7
113.02461	2.6
113.06121	1.0
117.07062	0.7
119.03500	1.1
121.02949	1.6
125.02457	1.6
125.06113	1.0
125.09704	3.4
135.08185	3.0
143.03502	0.7
143.05920	0.6
153.09218	3.9
161.04556	1.9
163.07690	0.7
163.11298	8.3
165.12862	3.0
171.10251	6.0
174.57806	0.7
176.08406	1.7
177.09096	0.6
178.09976	0.8
179.05621	0.7
181.12363	2.2
185.11848	2.0
187.09824	0.6
191.10815	2.5
195.10175	0.6
197.11829	8.9
201.11284	1.4
207.10275	6.1
209.11836	100.0
210.12149	8.7
223.13560	0.8
225.11356	5.8
226.11659	0.8
227.12878	12.5
235.08240	2.6
236.10516	1.6
243.17409	1.0
253.09254	7.3
261.18652	1.6
263.16544	0.7
269.15298	0.7
277.18091	2.2
279.19629	1.5
287.16595	5.4
288.16885	0.8
289.18018	0.9
291.19638	0.7
295.19022	0.6
305.17596	32.7
306.17978	4.0
307.19144	1.7
309.20715	1.2
323.18552	5.1
325.20438	1.0
343.18878	1.3
385.23187	0.6
385.82770	0.6
445.20718	0.9
461.20441	0.8
492.63809	0.6
523.25586	1.6
541.26593	10.2
542.27069	2.1
559.27448	1.2
671.33441	1.8
682.31598	1.6
733.38043	3.9
734.37878	1.5
751.39209	8.4
752.39331	3.9
769.39929	5.4
770.40594	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
65.00320	0.7
67.31390	0.7
68.86959	0.8
71.30889	1.3
79.84727	0.8
81.77249	0.8
96.65867	0.8
102.15974	0.7
107.01415	0.9
114.40948	0.9
125.02450	2.0
134.57213	0.9
151.00380	3.5
151.04048	0.9
162.73756	0.8
170.18852	0.9
175.03932	1.2
178.99898	1.0
198.11906	0.8
199.04024	3.9
215.03482	2.5
222.61371	0.9
227.03412	4.3
242.02187	4.7
243.02950	25.4
244.03471	2.3
255.03049	5.4
257.04495	5.7
270.01767	7.1
271.02481	27.0
271.05380	1.7
272.02975	3.0
285.04068	11.9
286.04654	5.1
287.05621	1.4
290.77448	0.8
299.01999	24.1
300.02695	10.5
301.03387	1.0
314.04346	37.1
315.05051	22.2
316.05493	2.9
329.01712	0.9
357.06128	1.8
665.17767	1.8
707.18329	69.9
708.18658	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03425	0.8
54.89289	0.6
58.94688	0.7
59.01357	1.4
65.85990	0.7
71.29981	0.8
74.37659	0.8
77.20319	0.6
78.99100	0.6
80.62680	0.7
85.02966	1.5
107.01367	1.3
109.02930	2.0
119.05007	2.8
121.02914	0.9
125.02435	1.8
134.03745	1.0
135.04529	1.1
137.02400	1.1
151.00346	3.2
157.61040	0.8
163.03983	4.1
165.05585	1.7
175.03943	1.3
178.99828	1.4
179.03456	0.9
191.05603	4.8
193.05022	2.1
199.04016	3.9
201.01990	0.9
215.03520	2.1
226.02888	0.9
227.03503	2.4
243.03049	3.8
255.02992	1.5
271.02499	49.3
272.02814	5.4
289.07187	3.4
293.12396	1.9
299.01990	100.0
300.02527	16.1
301.03464	9.3
302.03870	1.3
337.09348	2.0
462.08075	26.1
463.08746	6.4
519.57458	1.0
606.61359	1.0
609.14642	8.7
610.14935	1.8
771.19934	45.3
772.20325	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.2
59.01377	2.8
60.76575	1.1
61.98833	8.4
67.01889	2.1
71.01389	5.7
83.05014	3.1
85.02946	3.1
87.00860	1.1
93.03471	17.5
98.22533	2.0
109.02949	1.5
111.04539	6.9
113.02460	1.2
115.00417	1.2
117.03492	5.3
119.05038	42.6
120.05328	2.2
125.02432	3.8
127.04020	1.3
129.01884	1.2
135.04518	1.0
137.02458	1.5
143.05025	4.4
145.02971	26.6
146.03294	1.6
151.04044	1.4
155.03548	6.0
163.04016	34.7
164.04349	2.1
167.88850	0.9
171.04425	1.3
173.04561	42.7
173.06056	2.4
174.04874	1.1
191.05585	6.7
210.06859	6.0
211.07654	100.0
212.07999	8.4
222.06976	1.1
223.07721	7.1
236.78891	1.0
237.09229	10.3
238.09915	2.4
253.08658	1.4
259.04791	1.0
265.08679	7.8
271.02502	3.9
283.09756	1.6
299.02069	2.9
300.02664	4.6
301.02649	2.3
307.08130	6.1
309.07544	2.3
315.05054	1.1
325.10629	2.0
337.09271	2.9
349.10599	1.1
367.11865	9.1
385.07562	1.7
427.14072	6.9
433.11435	23.2
434.11694	2.7
471.13113	1.3
597.15918	4.7
748.81885	1.0
771.21979	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64638	0.6
59.01381	1.9
69.03439	1.0
69.23714	6.2
71.01378	3.1
73.02943	1.5
81.03461	1.5
83.01393	1.0
83.05028	2.5
85.02959	3.4
93.03460	14.0
97.02966	1.6
101.02473	1.1
109.02957	1.4
111.04542	8.4
113.02441	1.3
117.03477	12.8
118.03840	0.8
119.05040	100.0
120.05378	5.1
121.02992	0.7
125.02489	4.9
127.04013	0.7
129.02005	0.9
133.06560	0.8
137.02496	1.7
143.04999	1.6
145.02966	66.5
146.03345	3.7
147.04543	0.7
155.03503	9.2
156.03822	0.7
159.04489	1.7
163.04024	86.4
164.04350	4.4
173.04549	26.0
174.04921	1.2
187.03989	0.9
189.05679	0.7
191.05667	10.5
211.07628	1.7
222.06915	1.0
223.07663	18.9
224.08032	2.0
236.08386	1.8
237.09233	13.4
238.09795	1.6
239.10794	2.3
243.03041	1.0
247.06230	0.7
253.08694	2.0
264.07822	1.3
265.08691	4.1
279.10477	1.1
283.09799	1.5
285.81036	0.8
299.02051	1.4
307.08121	13.3
308.08734	1.2
309.07727	1.1
314.04364	1.1
315.04971	1.0
319.08130	1.2
325.10876	1.5
337.09335	7.5
338.09845	1.0
367.11899	10.5
368.12183	2.0
427.13968	9.4
428.14133	1.3
433.11420	67.2
434.11755	9.1
553.17688	1.1
597.16290	3.7
703.03741	0.9
771.21967	5.6
772.21704	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.5
69.73693	1.1
69.74104	0.7
70.28680	0.3
71.01376	0.3
83.01379	0.3
93.03477	0.9
109.02941	0.7
119.05049	2.6
121.02966	5.3
121.04408	0.4
125.02440	0.9
134.03734	1.0
135.04538	1.4
137.02458	0.9
137.43362	0.3
149.02451	36.2
150.02814	1.4
151.00356	0.8
151.04015	0.6
152.01143	3.2
163.04028	4.2
164.04802	36.5
165.01889	1.0
165.05161	2.2
167.03513	0.4
169.05074	1.0
179.07147	13.4
180.07475	0.9
187.04155	0.4
191.03577	0.3
191.05597	0.9
193.01413	5.7
193.05040	0.7
199.04062	0.4
208.03773	19.8
209.04114	1.2
223.06123	100.0
224.06468	6.6
243.02954	0.6
245.08121	0.6
254.98386	0.3
255.03069	0.7
265.07208	1.4
271.02487	5.9
272.02966	0.4
272.85294	0.3
289.07178	2.0
299.02029	8.6
299.05139	0.3
300.02652	3.8
301.03546	3.0
325.09113	0.3
367.10635	0.4
385.11478	5.6
443.89658	0.3
462.08151	1.1
463.08746	0.7
546.62378	0.3
609.14709	4.5
610.15234	0.9
771.19904	4.8
772.19769	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.2
59.01374	0.6
69.03450	0.9
71.27191	0.7
80.02651	0.5
81.03460	2.6
83.01398	3.2
89.44547	0.4
93.03477	1.8
95.01382	0.9
95.05025	3.7
95.68828	0.4
97.02971	5.7
105.03461	0.6
108.02191	1.0
109.02961	24.2
117.03472	0.7
119.03544	0.4
119.05084	0.9
119.13883	0.4
121.02958	3.5
122.03744	0.9
123.00874	0.5
123.04539	16.7
124.04891	0.8
125.01537	0.9
125.02464	19.0
126.02731	0.5
133.02939	0.7
135.04553	1.5
137.02454	10.4
138.03024	0.8
139.04033	3.3
145.02972	0.7
146.03741	1.3
147.04555	0.7
149.02477	4.3
150.03247	0.8
151.00397	0.7
151.04024	8.3
157.06670	0.5
159.04504	2.6
160.05283	1.0
161.02464	1.6
161.06099	4.7
162.03247	1.8
163.04041	2.0
164.01199	3.0
164.48961	0.4
165.01973	3.6
166.02602	0.6
167.03473	2.1
173.06093	1.2
174.03191	0.5
175.04001	3.0
175.07632	2.2
177.01913	0.8
177.05577	1.2
179.03519	5.7
180.04042	0.5
185.06085	0.9
187.04005	4.4
188.04793	3.8
191.05609	0.6
201.05592	0.6
202.06352	2.1
203.05408	0.8
203.07181	13.1
204.07498	1.2
205.05092	8.2
206.05365	0.6
217.04935	0.5
217.08635	0.5
221.08241	3.3
227.07164	1.7
230.05917	0.9
231.03091	0.6
245.08199	18.5
246.08536	2.1
247.06105	1.2
271.02505	3.2
271.06131	0.8
289.07205	100.0
290.07516	10.0
299.01920	6.1
300.02710	3.0
301.03400	2.3
352.34775	0.5
462.08014	1.0
463.08276	0.6
609.14819	2.5
674.98285	0.5
771.19861	3.8
772.19177	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.5
59.01379	10.5
59.62217	1.8
63.90469	1.7
66.81136	1.7
69.03446	2.2
69.30125	10.6
69.30524	3.9
71.01381	9.2
73.02933	2.2
81.03493	3.7
83.01389	8.8
83.05009	2.5
85.02955	4.1
88.85869	1.7
89.02444	7.1
93.03475	2.0
95.01378	3.0
97.02980	4.5
101.02444	6.0
107.88075	1.9
109.02967	3.7
113.02457	7.3
119.03466	2.6
122.03713	2.8
124.01648	2.2
125.02454	30.0
135.04555	2.8
135.11801	14.7
137.01469	3.7
137.02458	45.8
146.03702	4.9
159.04561	2.6
159.08112	2.1
159.11772	2.2
161.04619	3.3
161.09735	10.9
164.01140	8.2
165.01956	27.3
167.03490	17.9
173.06110	5.9
174.03267	2.1
174.06860	2.5
175.03967	3.1
175.07663	14.0
176.04742	2.6
176.07744	2.5
177.01906	2.8
179.03513	7.5
179.05731	3.0
179.10780	70.4
180.11063	2.6
187.07762	2.1
189.09094	2.0
191.05582	4.9
200.04730	2.2
201.09276	2.7
203.07126	7.1
203.10774	11.0
205.08745	2.8
215.07126	2.4
217.08755	13.9
221.11725	2.3
223.09764	100.0
224.10132	8.4
229.08713	13.9
241.08861	2.1
242.03960	1.9
265.10727	4.3
281.11896	2.5
294.08936	2.2
299.12936	3.0
323.12823	10.3
367.11813	38.0
368.12277	6.3
385.15497	40.6
386.15305	5.5
447.20200	7.2
605.53052	2.0
609.25433	3.1
750.25812	2.1
785.66760	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.7
65.00280	0.2
69.36967	1.4
71.01392	0.3
77.54636	0.2
86.63970	0.2
89.02472	0.4
93.03485	0.9
94.79359	0.2
104.20437	0.2
105.83384	0.2
106.99258	0.2
109.03043	0.3
121.02960	3.3
134.03780	0.5
135.04529	2.4
137.02457	0.7
143.03477	0.2
149.02448	24.6
150.02821	1.1
151.03976	0.6
152.01158	5.1
162.74953	0.2
163.04027	3.7
164.04805	21.1
165.01945	1.0
165.05104	1.2
167.03503	0.8
169.05098	1.9
179.05748	0.3
179.07149	9.0
180.04301	0.4
180.07495	0.5
182.69643	0.2
191.05606	0.3
193.01425	12.1
194.01855	0.6
208.03780	34.4
209.04088	2.0
218.16167	0.2
223.06122	100.0
224.06468	5.7
265.07187	0.5
288.63181	0.2
385.11420	19.6
386.11728	1.9
404.44971	0.2
445.32077	0.3
452.16193	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
61.98833	23.8
62.98535	0.5
63.99260	2.7
69.73170	0.3
71.01385	0.9
71.32063	0.5
78.95910	8.2
79.95747	3.9
80.96509	0.7
82.95451	0.3
83.05016	0.3
94.98093	1.1
96.96018	100.0
96.96929	11.6
97.95988	0.4
120.50191	0.3
125.02435	0.7
170.33423	0.3
171.10263	0.7
177.12280	0.3
209.11848	5.8
210.12309	0.4
227.12915	0.9
253.09335	0.6
265.07602	4.2
266.07724	0.5
289.07239	0.7
291.03909	1.0
297.06683	0.4
305.99765	0.3
307.08719	0.8
325.09540	0.3
325.20068	0.5
327.21722	0.3
335.02856	0.3
397.38556	0.3
455.94662	0.4
457.19006	1.4
458.18979	0.4
475.20227	0.6
483.15613	2.4
484.15881	0.4
771.33344	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31128	17.3
58.65899	17.3
59.01364	19.8
61.98832	83.5
71.01373	34.0
71.27100	18.9
78.95904	26.1
96.07903	18.6
96.96005	100.0
98.21701	30.7
108.82184	17.0
171.10184	31.5
183.06699	17.4
202.74164	18.3
207.10403	26.1
223.13486	26.9
232.75932	21.0
253.09160	23.5
291.19534	23.1
293.21298	41.1
309.20740	20.4
387.25409	42.6
424.90952	26.2
520.00507	20.2
537.78772	19.9
673.15155	21.5
771.41364	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.1
59.01386	5.8
61.98819	2.5
66.92026	0.5
69.03445	1.1
69.11049	5.7
71.01385	5.1
71.05009	1.0
73.02948	1.1
80.02679	2.1
81.03451	1.2
83.01413	0.8
83.05029	7.1
84.02151	0.6
85.02964	1.2
87.00907	0.8
88.01183	0.5
89.02450	3.5
95.05035	1.2
97.02963	1.1
97.06577	1.5
99.04510	1.0
101.02462	3.6
109.06582	2.8
113.02459	2.5
115.07622	0.9
119.03495	1.1
125.02463	0.6
125.09736	2.0
127.07649	1.2
133.05054	0.6
135.08133	1.5
137.09697	0.9
153.09218	7.8
153.82555	0.6
161.04594	1.5
163.11314	6.6
165.12820	2.9
171.10280	16.7
172.10631	1.4
178.09993	0.8
179.05573	0.9
181.12350	1.4
183.13857	0.9
185.11833	2.6
191.10780	1.9
197.11858	5.6
198.12090	0.7
203.79376	0.5
207.10295	2.8
209.11835	100.0
210.12169	8.3
211.13394	2.3
221.11864	0.9
225.11287	1.3
227.12898	12.4
228.13144	0.7
229.14522	0.9
235.08107	2.8
237.14940	0.9
239.12691	0.6
245.19080	1.6
253.09251	9.5
289.18094	6.9
307.19174	32.9
308.19592	4.2
309.20828	1.0
325.20209	20.6
326.20575	2.7
327.21774	2.1
345.20624	1.0
363.21786	1.2
424.31589	0.6
497.55820	0.6
525.27203	1.5
543.28143	6.6
544.28467	1.6
561.29364	2.7
585.26996	0.7
735.40021	2.6
753.40417	4.7
754.40961	1.4
771.41223	1.9
772.41614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.9
59.01392	13.9
65.32594	1.5
69.03425	2.4
71.01392	28.3
72.99333	1.7
73.02950	5.6
73.42155	1.7
81.03469	2.7
83.01402	2.9
83.05043	3.6
85.02957	5.4
87.00887	5.4
89.02461	6.6
94.20962	1.9
95.05072	4.2
97.02953	13.3
97.06610	3.4
101.02448	10.5
109.06609	7.3
110.03740	2.3
111.08174	3.7
113.02470	6.6
119.03505	3.5
121.53666	1.7
125.02518	2.7
125.09750	6.8
127.11347	3.9
137.09761	4.2
143.03502	5.1
145.05067	2.1
151.11259	3.1
161.04631	2.9
161.09758	2.0
163.11279	13.0
164.11665	2.3
165.09184	2.0
165.12886	7.0
167.10760	3.1
169.12398	2.2
171.08789	3.9
171.10277	79.2
172.10571	3.5
181.12332	5.3
182.53998	2.1
185.11882	4.9
189.09213	3.1
197.11795	15.8
201.11327	40.8
202.11740	3.1
207.10286	30.1
208.10822	2.1
209.11835	46.8
210.12177	5.1
211.13393	4.4
215.12888	4.4
215.27533	2.0
225.11342	55.3
226.11765	4.5
227.12949	9.2
228.83624	1.8
235.08238	9.3
243.12373	2.1
245.19041	4.1
247.20708	6.3
253.09299	30.6
254.09644	2.3
289.18069	8.3
291.19699	57.3
292.20065	5.5
295.10245	2.8
297.16867	1.6
307.19061	6.3
308.19144	2.0
309.20731	100.0
310.21060	11.9
341.23123	2.0
438.53162	2.2
443.19516	2.5
461.20517	9.2
622.93970	2.0
690.76941	1.7
753.40863	4.1
771.41125	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
57.33097	0.4
59.01380	4.8
61.98819	1.4
69.03448	0.8
71.01390	4.8
71.05035	0.7
73.02946	0.9
80.02673	1.4
80.76863	0.5
81.03452	2.0
82.95423	0.5
83.01382	0.6
83.05035	6.3
84.02158	1.2
85.02956	1.8
87.00874	0.7
89.02438	2.6
93.03477	0.5
95.01389	0.5
95.05049	1.3
96.96011	0.5
97.02969	1.5
97.06593	1.1
98.35044	0.5
101.02444	4.3
109.06614	4.7
111.08173	0.6
113.02451	2.3
115.07658	1.0
119.03484	0.7
125.06052	0.7
125.09709	1.8
127.07666	0.7
135.08185	1.6
145.05064	0.8
153.09248	6.1
155.10789	0.8
161.04539	1.9
163.11304	5.4
165.12872	2.3
167.10860	0.5
169.12407	0.6
171.10278	15.0
172.10641	0.8
179.05614	0.5
181.12372	1.0
183.13991	0.4
185.11850	2.1
191.10806	1.3
191.14346	0.8
193.12291	0.7
197.11824	7.8
197.13541	0.7
198.12076	0.6
199.13382	0.7
201.11353	0.5
207.10254	4.8
209.11836	100.0
210.12180	8.0
211.13399	4.5
220.32220	0.5
221.11736	0.6
225.11345	2.8
227.12881	12.2
228.13121	1.0
229.14323	0.9
235.08261	3.2
235.13243	0.8
237.15002	0.7
238.12068	0.7
245.19049	1.3
253.09253	12.3
254.09547	0.7
289.07083	0.5
289.18109	5.2
290.18341	0.7
291.19522	0.9
297.20563	0.8
307.19147	26.0
308.19397	2.9
309.20761	1.7
325.20206	21.1
326.20615	2.8
327.21899	3.5
343.15552	0.6
445.20905	0.8
525.27045	1.3
543.28021	5.6
544.28271	1.5
561.29309	1.6
646.93225	0.6
647.03772	0.6
684.33331	1.1
735.39252	1.4
736.39844	0.7
753.40387	2.7
754.40955	1.2
771.42157	2.2
772.41467	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	18.8
59.01358	17.7
61.98836	43.2
71.30728	16.1
78.95914	11.5
91.38383	9.2
116.92868	15.5
125.51873	9.6
139.64969	8.0
140.08157	9.6
152.99638	10.2
172.83458	8.7
201.38199	8.4
209.11876	12.1
293.89673	9.8
315.26846	9.6
377.76355	8.5
387.25473	100.0
388.25635	16.1
433.98383	8.9
467.31586	31.7
531.12231	9.0
541.35236	11.1
653.39008	9.9
671.39191	30.8
729.43292	36.0
730.43610	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	7.4
59.01383	11.5
61.98823	7.8
65.35918	4.9
67.87509	4.8
69.05444	48.6
79.95439	4.2
85.49932	4.7
98.21743	9.5
99.04521	7.9
101.02475	4.9
109.87681	4.2
126.03403	4.3
130.10855	4.5
212.66649	5.2
299.16528	7.4
299.23660	7.6
341.17517	6.6
343.26389	12.5
347.25903	7.2
387.25449	100.0
388.25769	16.4
410.36880	5.0
467.31705	10.9
599.41681	5.5
609.39404	10.2
646.85413	5.5
653.38812	7.2
671.39673	37.5
672.39960	8.9
729.43622	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09656	0.2
55.21801	0.2
55.72562	0.2
57.66092	0.2
59.01369	0.3
75.00877	0.8
99.92591	14.1
100.92610	0.8
114.93410	0.5
116.92870	100.0
117.01985	0.3
117.92876	6.1
694.65649	0.2
777.32782	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44125	0.2
58.39488	0.2
59.01377	0.7
61.98839	0.3
69.02616	1.9
71.01369	0.2
73.01215	0.2
75.00874	1.4
99.04510	0.4
99.92595	14.1
100.92607	0.8
105.87567	0.2
109.96449	0.2
114.93436	0.6
116.92873	100.0
117.01984	0.5
117.92876	5.4
130.08466	0.2
130.88354	0.2
137.06061	0.3
152.18791	0.2
169.12381	0.3
171.10281	0.2
190.30965	0.2
209.11867	0.8
225.11276	0.2
244.00845	0.2
253.09290	0.3
272.44019	0.2
309.20743	0.4
325.20273	0.2
327.21899	0.3
343.23175	0.2
413.06381	0.2
436.83371	0.2
705.00500	0.2
709.95923	0.2
730.06873	0.3
773.42450	0.6
793.36420	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	0.8
71.01384	0.8
78.95914	8.0
79.95741	3.2
94.92501	1.2
96.92226	1.8
96.96018	100.0
96.96931	11.7
98.17465	0.4
98.21769	1.6
102.42455	0.5
103.11121	0.5
110.04842	0.5
144.69295	0.4
194.02420	0.5
277.21732	1.7
283.20526	0.5
315.29013	0.5
367.80176	0.5
397.13364	0.8
415.14673	0.6
435.08307	1.5
453.09283	1.6
482.01093	0.6
713.30353	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
70.35456	4.5
70.35810	10.5
87.44509	4.0
106.04115	4.3
160.38849	3.9
185.11674	4.1
209.11841	100.0
210.12204	7.2
219.13943	6.4
227.12892	25.5
253.09433	10.6
263.12863	4.4
326.25323	4.3
327.21844	13.1
328.21545	4.2
383.66650	3.8
445.20734	7.1
446.21109	4.1
471.23642	3.9
473.90619	3.8
661.63055	3.9
773.37518	20.5
774.36615	5.5
774.61200	4.8
787.30939	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	14.0
59.01382	25.1
61.98831	18.7
69.04670	50.7
71.01394	11.9
78.95914	6.2
99.04538	14.5
101.02449	5.5
111.08152	4.7
125.02458	16.9
129.14818	4.9
133.46951	4.3
154.69540	4.7
197.11929	4.9
207.10297	6.3
209.11841	100.0
210.12149	8.5
227.12813	28.1
228.13210	5.5
253.09303	12.1
256.62662	5.1
274.75787	4.9
291.19687	66.1
333.88342	5.7
445.21082	7.6
463.21826	5.7
466.48700	5.5
467.31674	26.9
468.32071	7.6
561.53870	5.1
773.38086	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10471	1.9
57.03471	3.3
59.01370	8.7
61.98829	7.2
70.52923	2.0
71.01395	4.8
78.95896	2.1
80.53923	2.3
96.96000	2.5
99.04516	4.6
101.02458	5.3
111.08170	4.1
120.91440	2.1
125.02459	3.9
163.11279	2.5
195.13907	2.9
207.10277	2.8
209.11856	58.0
210.12155	4.8
225.11349	2.6
227.12898	20.3
235.08310	2.6
253.09236	8.8
291.19678	100.0
292.20175	9.9
293.21194	2.5
380.52249	2.2
467.31686	8.4
527.28528	13.9
606.59052	2.3
719.40356	3.4
773.39319	10.7
774.39490	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80406	5.3
57.16142	5.1
57.77607	5.8
59.01399	12.0
61.98825	19.1
69.03455	56.1
71.01380	8.5
73.77883	5.9
80.96508	7.1
91.06586	5.5
98.22551	10.2
98.62814	5.9
101.02448	8.2
108.29015	6.7
108.39258	6.0
109.06577	12.9
144.49187	6.4
207.10300	60.7
209.11832	8.5
225.11313	16.1
253.09300	22.9
291.19562	10.8
293.21243	100.0
294.21530	12.1
443.19479	10.8
443.82782	6.1
461.85855	6.8
467.31680	16.9
737.41321	47.1
738.41333	14.0
773.39270	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	29.6
59.01385	11.1
61.98824	0.7
62.83366	0.4
67.29202	0.4
71.01382	4.8
73.02947	4.7
75.00882	0.6
79.05537	0.7
81.03465	2.3
83.01395	1.4
85.02962	0.8
85.06586	1.5
89.02464	0.5
95.05022	0.5
97.06623	1.5
98.21693	0.6
99.04529	33.0
100.04864	0.9
101.02451	12.6
102.46912	0.3
113.02466	1.4
113.06039	0.6
123.04548	2.4
123.08131	0.4
125.02460	35.1
126.02820	1.4
143.03523	2.4
153.05699	0.5
161.04568	2.9
161.67923	0.4
194.04347	0.4
203.05585	1.5
209.11862	1.5
221.63503	0.4
227.13002	0.4
243.08960	0.5
247.23132	0.4
257.09048	0.4
291.19748	1.4
305.08810	9.3
306.09119	0.9
323.09653	0.6
405.31616	0.5
407.29581	1.2
423.32626	0.9
453.34055	0.8
454.34082	0.6
467.31689	100.0
468.32043	20.8
481.33282	8.2
482.33664	2.4
491.31622	1.3
509.32837	6.2
510.32846	1.0
729.41528	1.2
730.42841	0.9
773.41144	3.6
774.41028	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40870	1.9
58.98117	1.7
59.01385	92.2
61.98817	6.5
62.82461	1.7
63.62119	1.7
63.99558	1.9
71.01375	7.8
72.01084	1.9
73.02937	1.8
75.00884	2.3
80.02688	2.3
81.03465	2.5
82.95419	7.9
83.05013	4.4
87.00878	1.9
89.02465	3.2
96.95995	3.3
101.02440	5.8
101.56255	1.9
103.00386	4.8
103.01505	46.4
111.08154	5.0
113.02480	2.7
119.03499	2.7
125.09721	2.8
127.11266	2.5
129.09196	1.9
135.08125	1.9
161.04564	1.9
165.12828	2.9
169.12366	3.6
171.10251	12.1
185.11813	3.4
197.11847	33.5
198.12170	4.5
201.11337	33.5
209.11842	100.0
210.12206	10.1
211.13336	6.3
225.11122	2.2
227.12880	16.5
228.13220	2.4
235.08168	5.2
253.09276	26.2
254.09621	2.5
291.19714	16.7
309.20761	45.7
310.21112	9.7
317.34384	2.0
327.21808	9.2
328.22275	3.5
335.07974	2.2
440.00049	2.2
440.05530	2.1
471.25580	2.0
493.31516	2.1
545.29834	3.2
773.42932	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81640	0.4
57.03456	0.8
59.01380	5.8
61.98827	1.8
64.58601	0.7
67.44168	0.4
69.03455	1.4
71.01392	5.6
72.99294	0.5
73.02957	0.9
77.35116	0.4
80.02700	0.9
81.03453	0.9
82.95417	0.8
83.01401	1.1
83.05032	4.3
84.02197	0.9
85.00465	0.5
85.02963	5.9
87.00894	1.2
89.02451	3.1
90.02816	0.4
95.05063	0.8
96.96021	1.5
97.02956	1.1
97.06606	1.5
98.21897	2.0
98.22583	0.7
99.00906	0.5
101.02452	4.6
109.06609	1.0
110.03742	0.5
113.02489	2.4
116.92828	0.7
119.03542	1.0
125.09747	0.9
127.11331	1.0
135.08163	0.9
136.34781	0.4
137.09711	1.7
145.05086	0.6
161.04613	2.2
163.11299	4.6
165.12852	3.1
171.10281	14.2
177.12848	0.6
179.05542	0.8
181.12398	1.1
182.76018	0.5
182.77565	0.5
183.13910	2.1
185.11879	0.8
191.10841	1.0
193.12396	0.5
197.11807	0.6
201.11278	0.9
207.10225	2.0
209.11842	100.0
210.12178	7.9
211.13406	9.2
212.13698	0.8
221.11868	1.5
225.11328	1.5
227.12895	11.4
228.13295	0.7
229.14442	5.9
230.14883	0.6
235.08235	7.6
239.12917	1.2
243.12537	0.5
248.02168	0.4
253.09315	18.4
254.09671	0.8
279.31665	0.4
291.19739	3.2
309.20685	5.9
310.21161	0.6
327.21777	61.2
328.22131	6.0
378.17465	0.5
394.69556	0.5
405.34485	0.5
445.20932	1.2
479.33878	0.5
519.33368	1.3
520.33447	0.6
545.30389	0.9
563.30438	2.4
564.31171	0.6
649.12952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.517
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34731	15.8
61.98837	100.0
62.61084	14.4
71.31294	24.1
71.31633	22.4
86.06709	18.0
111.41637	13.6
136.98660	16.0
141.98082	16.6
149.21519	18.5
163.14810	15.3
183.77977	18.2
340.11230	17.6
415.36725	15.9
539.71777	16.4
671.07349	15.9
686.82837	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20332	0.3
59.01398	0.4
61.98834	100.0
67.77766	0.4
73.05830	0.4
78.95894	0.5
96.96012	4.4
97.57684	0.4
99.92630	1.6
116.92870	11.4
134.03778	0.7
163.50163	0.4
173.16702	0.4
189.41534	0.4
193.05138	0.7
201.90318	0.4
280.87787	0.4
517.19049	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.5
59.01381	47.6
61.98839	20.4
62.63855	3.3
67.38616	3.6
71.01373	12.9
73.17928	3.4
73.33334	3.6
80.42751	3.8
82.95436	22.2
82.95823	4.1
84.18344	3.2
84.95132	8.0
85.00458	17.6
94.02991	12.6
95.05000	4.7
96.04554	10.9
96.96015	23.5
97.02986	3.7
97.46734	3.5
99.04523	67.3
99.92572	4.4
103.01485	5.7
104.56908	3.6
109.02916	4.5
109.06602	6.4
110.06157	3.8
113.02413	4.2
116.92878	50.7
117.92879	12.9
123.03255	4.3
125.02433	6.6
126.66535	3.4
128.01758	17.1
138.05611	13.8
153.09225	6.6
157.06662	3.6
168.06656	4.2
171.10300	11.6
172.10619	8.1
197.11841	14.5
209.11833	63.2
210.12192	33.5
211.12442	13.2
227.12892	8.9
228.13347	6.0
253.09349	9.5
289.18399	4.4
291.19360	3.9
307.19193	10.4
308.19504	14.0
309.19940	8.5
325.20004	4.1
326.20526	7.4
327.21506	5.4
334.37778	3.6
358.78357	4.2
536.22491	6.3
543.42560	4.1
554.23694	5.3
572.24695	11.1
696.29987	5.1
774.28021	100.0
774.41248	6.5
775.28076	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01702	1.9
61.98832	2.3
68.98727	0.9
69.06622	6.9
69.69305	0.9
70.38127	0.9
86.05576	1.1
88.98843	1.0
89.34303	1.1
96.52676	1.0
103.01506	60.8
130.95969	1.3
144.35849	1.0
160.21381	1.0
162.84010	1.6
164.83572	1.5
167.81825	1.0
225.92345	0.9
265.11392	1.1
298.88116	1.0
488.03522	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.7
64.24603	0.2
69.31612	1.7
71.01353	0.5
85.02956	5.3
87.00893	1.2
93.03461	2.7
97.74640	0.2
104.70541	0.3
109.02966	0.5
111.04497	0.7
127.04013	1.5
132.62553	0.3
133.02960	1.3
134.03561	0.2
135.04550	1.6
161.02486	1.4
171.03033	0.3
173.04555	1.6
177.02016	0.3
179.03502	0.8
185.22168	0.3
191.05621	100.0
192.05974	4.0
201.01411	0.2
203.01494	0.2
215.05652	0.3
229.57300	0.3
310.17801	0.3
353.08789	13.6
354.09140	1.4
371.64969	0.3
376.58817	0.3
680.16235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	24.8
59.01382	18.7
61.98834	38.3
62.42978	2.1
66.24236	2.9
71.01380	9.1
71.31850	2.8
71.32260	3.8
71.32613	2.2
78.95944	3.6
81.97084	2.4
82.71886	2.4
83.01405	2.9
91.26560	2.1
98.51508	2.0
99.00912	2.7
99.04534	15.4
101.02464	10.2
103.69478	2.5
109.06584	12.3
113.02476	3.9
114.50148	2.0
125.02464	14.5
161.04552	2.2
163.11284	3.7
171.10275	8.8
207.10275	33.2
209.11818	2.8
225.11359	22.6
253.09242	9.5
277.21796	40.5
278.21957	3.3
305.08716	18.6
370.67230	2.2
425.34354	29.9
426.34695	4.9
451.32205	3.9
461.20370	10.1
469.33234	100.0
470.33707	16.0
511.34183	2.9
601.28729	2.4
631.38806	10.8
634.10156	2.3
721.41113	11.5
722.42645	2.7
775.42731	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	21.3
59.01385	12.4
61.50906	1.5
61.98834	17.5
63.87751	1.2
71.01394	3.3
78.95901	3.3
85.02945	2.0
98.21738	3.1
99.04533	9.1
101.02436	8.1
109.06607	2.5
113.02487	2.1
125.02476	8.0
158.31876	1.4
161.04584	3.6
163.11282	2.7
171.10291	5.7
199.09828	6.5
207.10278	12.0
225.11348	35.3
226.11736	1.9
235.08276	3.9
251.81424	1.3
253.09312	4.0
269.53293	1.2
277.21759	40.1
278.22153	3.1
305.08777	12.9
335.22852	1.4
425.34274	41.4
426.34714	6.7
443.19321	6.0
451.32135	5.9
452.32272	1.9
461.20285	10.3
462.19928	1.4
469.33261	100.0
470.33630	19.4
540.19501	1.5
631.38721	11.9
632.38855	2.6
673.40289	3.1
695.40411	10.7
696.40015	1.8
721.41711	15.5
722.42139	4.0
775.42603	7.8
776.42810	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06067	0.7
57.03454	38.3
58.03775	1.4
59.01386	12.8
61.98815	2.3
69.03480	0.8
70.96479	1.7
71.01382	5.7
73.02955	7.5
77.31620	0.7
81.03461	3.6
83.01385	2.4
84.92138	0.7
85.02963	3.3
97.06591	1.1
99.04531	43.0
100.04868	1.7
101.02454	15.9
105.21854	0.7
113.02458	2.4
113.06070	0.7
116.92802	0.7
119.03507	0.7
123.04532	4.4
125.02464	39.2
126.02781	1.4
141.47322	0.7
143.03543	2.4
151.07587	0.6
161.04562	2.5
173.44739	0.7
198.54834	0.8
203.05536	1.7
209.11780	1.2
263.08163	0.8
291.19815	2.1
305.08817	7.1
323.09897	0.9
412.96060	0.8
425.34518	0.9
439.32205	19.1
440.32599	5.3
451.32159	1.9
453.33755	1.6
465.33521	1.1
467.31873	1.4
468.32245	3.0
469.33249	100.0
470.33612	22.4
483.34750	3.0
493.33401	0.9
511.34329	3.2
512.34729	1.5
731.42950	1.2
758.66461	0.8
775.42889	6.2
776.42908	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.4
57.03452	30.4
58.00616	0.4
58.03788	0.6
59.01381	9.2
61.98827	0.5
69.66186	2.0
71.01389	3.7
72.85909	0.3
73.02952	4.0
81.03458	2.8
83.01393	1.5
83.93721	0.3
85.02949	0.9
85.06599	0.7
87.37410	0.3
89.02477	0.4
97.02915	0.4
97.06647	0.5
99.04527	25.7
100.04876	1.4
101.02450	10.3
113.02427	1.0
113.06053	0.4
119.03501	0.3
122.03754	0.5
123.04547	2.6
125.02456	31.6
126.02787	0.9
129.56541	0.3
140.39600	0.4
141.05554	0.6
143.03506	1.8
161.04579	1.8
203.05574	0.8
216.92645	0.4
305.08792	5.5
306.09253	0.5
338.89310	0.4
455.35431	0.5
469.33246	100.0
470.33591	21.8
483.34869	3.8
484.34982	1.1
493.33234	0.8
511.34360	3.2
512.34729	0.5
631.38568	0.9
731.43719	1.0
732.44043	0.7
775.42651	6.6
776.42908	2.4
776.54956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	37.7
57.92294	0.7
59.01387	15.7
69.07112	5.2
69.07534	2.8
71.01380	5.9
73.02951	10.5
74.14753	0.7
79.05540	0.9
81.03471	3.3
83.01398	2.6
85.02985	1.2
89.57560	0.8
99.04526	34.9
100.04902	1.3
101.02446	15.7
101.16717	0.8
113.02467	2.2
113.06126	1.0
117.00956	0.8
117.67158	0.8
123.04522	4.4
125.02463	38.7
126.02759	1.2
126.39542	0.8
141.05547	1.1
143.03476	2.0
147.33820	0.7
161.04576	3.2
203.05643	0.8
303.47290	0.8
305.08853	6.9
306.40875	0.8
425.34222	4.4
451.32407	1.3
455.35013	1.8
469.33255	100.0
470.26929	1.2
470.33606	18.9
483.34802	10.1
484.34952	1.6
489.04355	0.8
493.33618	0.9
511.34418	5.6
512.34912	1.2
775.42743	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	27.6
58.03782	0.5
59.01094	0.6
59.01382	9.8
61.98839	3.0
63.52320	0.3
64.21584	0.3
69.03836	2.0
69.04240	0.8
69.70142	0.3
71.01385	2.6
73.02949	1.3
73.47931	0.3
78.50069	0.4
78.86134	0.3
78.95892	0.6
81.03467	0.6
83.01377	0.8
85.02922	0.9
99.04521	10.7
100.04852	0.4
101.02449	5.7
113.02461	0.9
115.00360	0.4
123.04513	0.6
124.12361	0.4
125.02457	9.7
133.01401	0.4
138.65677	0.4
143.03502	1.0
161.04544	2.2
185.04707	0.4
203.05663	2.5
241.79639	0.4
243.08731	0.5
277.21762	0.4
289.12030	0.4
293.30518	0.4
305.08786	23.8
306.09183	2.2
407.33047	0.7
425.34274	37.6
426.34647	8.3
439.36450	0.5
451.32227	5.6
452.32639	0.6
469.33255	100.0
470.33606	18.8
483.34787	1.1
492.81326	0.4
511.34283	2.1
631.38562	11.7
632.38715	3.2
673.39545	4.0
674.40057	1.7
698.14600	0.5
713.42511	1.4
775.42853	11.7
776.42926	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	35.7
59.01093	1.1
59.01385	21.2
61.98838	6.8
69.03451	2.6
71.01396	9.8
71.05022	15.2
73.02957	6.1
75.00862	2.0
81.03467	4.4
83.01408	2.7
83.05052	0.9
85.02960	2.2
85.06610	1.7
97.06606	1.0
99.00848	1.0
99.04530	39.3
100.04884	1.3
101.02451	16.4
113.02453	2.6
113.06081	1.0
118.84090	0.7
123.04513	2.7
125.02456	45.1
126.02821	1.2
137.20313	0.7
137.98053	0.7
141.05530	1.2
143.03491	3.8
155.81406	0.7
161.04538	4.8
203.05661	2.3
225.11337	1.5
253.09274	0.8
277.21716	2.4
305.08820	20.9
306.09192	1.5
387.14737	0.8
425.34323	21.6
426.34750	5.1
437.34070	1.0
465.33923	2.9
469.33258	100.0
470.33603	23.2
470.40076	1.5
483.34958	3.0
511.34662	1.7
775.42780	3.9
776.42963	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	18.8
59.01381	5.1
59.58383	0.5
61.98820	1.4
69.18222	1.0
69.18628	3.0
71.01376	1.5
81.03452	0.7
84.02777	0.4
85.02978	1.0
89.02441	0.5
94.05945	0.4
97.02966	0.5
99.04525	7.6
99.77512	0.4
101.02445	3.4
111.63409	0.7
113.02470	2.0
125.02466	7.9
137.77095	0.4
143.03455	0.6
161.04579	1.4
171.10263	0.5
203.05710	1.3
209.16365	0.5
305.08838	4.9
306.09204	0.7
399.32544	0.5
407.33484	1.1
425.34290	64.1
426.28867	0.6
426.34619	11.2
451.32275	9.2
451.38443	0.5
452.32642	1.8
469.33267	100.0
470.33560	19.9
483.34940	1.5
511.34109	2.4
617.58374	0.5
631.28070	0.9
631.38531	15.1
632.38916	4.1
673.39490	3.9
674.39520	1.1
775.42786	2.5
776.43207	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88555	0.9
57.03455	39.3
58.16592	0.9
59.01382	14.0
61.98845	4.4
71.01385	8.8
71.31848	1.9
73.02954	6.3
75.00869	1.3
78.95921	1.5
79.05557	0.9
81.03464	3.8
83.01396	2.7
85.02962	2.9
86.57265	1.0
97.06608	1.8
99.04530	43.1
101.02459	15.6
113.02473	3.5
123.04565	4.5
125.02460	48.8
126.02776	2.5
143.03535	2.4
161.04582	3.2
161.63431	0.9
171.10287	1.4
203.05576	1.9
225.11343	1.1
287.11786	0.9
305.08795	8.4
439.32242	39.6
440.32520	8.4
453.33658	4.7
462.93259	1.2
469.33270	100.0
470.33649	23.5
481.33179	1.9
483.34808	3.1
511.33981	4.3
512.35266	1.3
519.99207	1.1
541.84460	1.0
731.43701	1.3
775.42700	6.1
776.42841	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	29.0
58.03786	0.9
59.01100	0.7
59.01383	11.8
61.98817	2.8
65.56441	0.5
71.01382	6.8
71.31085	1.1
73.02646	0.6
73.02959	6.1
73.91476	0.8
75.00859	0.9
76.22489	0.6
78.95892	1.2
79.05533	0.9
79.93068	0.6
80.36008	0.6
81.03458	3.9
83.01382	2.1
83.25796	0.6
85.00440	1.4
85.02934	1.4
85.06602	1.2
89.02463	0.8
96.94923	0.5
97.06587	0.9
99.04531	38.8
100.04873	1.1
101.02449	15.2
103.34667	0.7
109.34806	0.6
113.02439	2.4
114.25546	0.6
119.03509	0.7
123.04536	3.7
123.08167	0.7
125.02459	41.4
126.02760	1.6
141.05569	0.9
143.03503	2.0
161.04539	2.2
181.12968	0.9
199.88037	0.6
203.05611	2.1
209.11911	1.5
227.12914	0.6
276.61945	0.7
280.67319	0.7
291.19708	0.7
305.08749	6.8
379.62469	0.6
455.34927	1.0
469.33261	100.0
470.33612	22.6
470.39337	0.5
483.34692	7.7
483.55838	0.6
484.35281	1.4
511.34085	6.0
512.34357	2.0
520.58789	0.7
545.57104	0.6
620.26373	0.7
731.44794	1.2
745.74103	0.7
748.40186	0.8
775.42859	7.1
776.42487	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	30.2
57.24701	0.9
57.51596	0.7
59.01387	9.9
59.33248	0.8
61.98835	2.8
68.98352	0.7
69.69054	1.8
69.69453	2.3
71.01398	4.2
71.01704	0.7
73.02957	2.5
81.03461	3.7
83.01371	1.0
85.02959	2.0
85.34155	0.7
98.22529	1.1
99.04531	44.3
100.04839	1.0
101.02464	9.3
113.02471	2.7
113.76624	0.8
117.56113	0.7
117.83486	0.8
121.99053	0.8
123.04531	1.1
125.02463	51.7
126.02798	2.2
143.03500	4.3
158.13609	0.8
161.04584	3.2
171.10245	2.0
223.67078	1.0
271.87878	1.0
277.21573	1.3
305.08792	5.7
425.34238	3.5
451.31189	0.9
469.33261	100.0
470.33612	19.5
483.34949	4.0
484.35437	0.9
511.34409	2.8
542.69348	0.8
764.57031	0.8
775.41223	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83816	0.7
57.03453	34.3
57.55444	0.9
59.01387	14.8
60.00818	0.8
61.98824	3.9
69.08579	7.0
69.09001	2.0
71.01379	5.8
73.02960	7.8
81.03450	2.4
83.01382	2.8
84.84629	0.9
85.02909	1.1
85.33675	0.9
91.58751	0.9
94.84470	1.0
99.04529	36.3
99.48762	0.9
100.04862	2.1
101.02455	15.3
113.02457	1.8
123.04536	3.7
125.01536	2.0
125.02463	37.2
125.17040	0.9
126.02795	1.2
143.03493	2.2
161.04582	4.0
171.10286	1.7
203.05655	1.3
225.11331	1.4
269.84637	1.1
277.21677	2.7
293.21210	1.1
305.08771	8.0
323.09698	1.0
363.95480	1.0
425.34174	1.6
438.31833	0.9
438.43332	1.0
469.33258	100.0
470.33615	24.5
483.34906	6.3
484.34799	2.0
493.32904	1.6
511.34171	4.5
512.34692	1.8
518.63336	1.0
774.50702	0.8
775.42499	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	26.7
59.96537	20.9
61.98825	100.0
62.49860	24.6
72.19093	21.1
88.82311	26.7
90.44181	26.3
98.21816	58.0
112.55374	23.1
132.88763	27.8
212.20663	24.8
221.23187	26.8
228.79468	43.8
300.48459	24.9
418.67780	27.9
469.33026	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86044	0.1
57.03444	0.1
57.55689	0.1
59.01381	0.1
61.69871	0.1
78.95913	10.4
79.95748	3.0
94.98093	0.6
95.97612	0.2
96.96025	100.0
96.96937	14.7
97.95970	0.4
98.21794	0.5
121.11388	0.1
125.02476	0.2
150.03154	0.2
196.22237	0.1
267.51691	0.1
449.32495	0.2
683.00079	0.1
775.46979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52412	0.1
54.87782	0.1
61.98835	100.0
62.98538	0.3
70.75152	0.1
109.76224	0.1
154.73721	0.1
171.51906	0.1
197.48041	0.1
219.34373	0.1
325.79813	0.2
366.20084	0.1
501.99963	0.1
740.49908	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	2.5
59.01384	79.6
65.08139	1.1
71.01389	51.3
72.99311	3.8
83.01385	1.9
85.02958	8.3
87.00871	3.8
89.02451	65.9
95.01413	3.9
101.02462	27.1
107.27312	1.1
109.02914	1.5
113.02464	21.8
119.03510	31.2
119.04893	1.5
125.02480	8.5
129.07631	1.2
131.03540	5.6
143.03494	7.0
147.04539	100.0
148.04936	6.2
149.04610	2.5
151.00334	1.5
153.01898	1.6
161.04573	9.3
178.99796	1.2
179.05618	32.1
191.05667	2.9
213.34232	1.2
215.07245	1.8
218.09148	1.3
241.04984	1.1
259.06143	10.4
287.05597	13.3
301.71213	1.3
302.42163	1.4
327.10880	58.2
328.11084	5.7
328.20279	1.2
411.91284	1.3
421.11383	3.5
449.10873	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30531	2.0
54.68776	1.7
58.00589	6.1
59.01388	4.6
61.98825	2.7
69.21632	14.1
75.00881	3.7
84.95148	2.8
85.00436	8.7
88.98803	2.3
93.03468	6.2
95.01399	2.6
96.96039	2.1
98.22382	6.5
107.05029	2.0
108.02171	9.2
109.02973	13.6
109.75569	1.7
109.79201	1.8
117.03511	2.3
118.75023	1.9
119.05041	3.3
121.02975	10.4
122.03748	5.4
123.00884	3.8
123.04539	11.7
124.01687	3.2
125.02486	3.4
131.05042	2.4
134.03749	8.4
135.04510	2.1
136.01677	11.0
137.02487	16.7
137.06134	2.3
145.02936	12.0
146.03738	3.1
147.04584	3.1
148.01672	5.9
149.02422	14.3
149.06104	7.7
150.03200	5.7
151.04019	19.9
152.01122	3.9
153.02084	1.8
153.05544	5.6
161.02448	17.5
162.03259	18.6
163.00372	8.1
163.04013	7.4
164.01147	7.0
164.04805	6.9
165.01929	14.3
166.02689	4.5
167.03490	9.5
171.10226	3.1
176.01123	4.4
177.01961	25.6
177.05579	32.1
178.02696	15.0
178.05988	2.6
179.03500	12.1
179.05797	2.5
179.07097	13.7
180.04228	7.9
181.05099	4.3
187.04132	2.5
191.03474	2.0
191.05638	3.9
192.00673	2.3
192.04187	2.6
193.01396	23.0
193.05081	14.6
194.02155	6.7
195.03004	17.2
195.06635	28.1
196.03644	4.1
196.06924	1.8
207.03009	38.7
208.03751	9.7
209.04575	26.7
209.11900	9.5
210.05313	8.8
211.06139	5.5
224.03297	2.2
225.11317	3.6
227.12929	3.6
242.02261	9.4
243.02855	2.9
253.05052	2.8
265.04904	2.0
267.16061	2.3
270.01859	9.1
285.04156	3.3
285.07370	2.3
289.07233	3.3
294.59314	2.5
298.01254	2.6
301.07239	2.7
311.05627	3.3
313.03644	31.9
313.07034	3.4
314.03952	4.0
325.07242	2.7
341.06644	3.1
343.08203	5.8
355.08273	10.7
357.09921	4.4
367.36722	2.1
371.07657	7.3
372.08331	3.4
373.09268	3.9
374.09909	2.2
375.10968	4.8
385.09299	26.0
386.09848	4.3
387.10812	27.9
388.11502	4.4
389.12396	14.7
401.08746	26.8
402.09247	3.3
403.10306	24.0
404.10449	4.6
461.07483	3.4
551.15570	5.1
551.23468	2.4
581.16687	100.0
582.17004	23.7
583.18115	13.8
584.19391	2.7
597.16156	5.7
777.25476	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95913	0.3
59.01381	100.0
60.01725	1.3
64.54663	0.4
67.12738	0.3
71.31644	0.6
75.00871	2.0
82.09988	0.4
92.94627	0.3
103.00477	9.5
103.01501	68.3
104.01833	0.6
171.10287	0.7
179.03323	0.5
191.05609	0.6
207.10175	0.7
209.11858	2.5
278.04785	0.4
423.45151	0.5
428.70578	0.4
526.84021	0.4
672.95599	0.4
701.93518	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
58.00598	3.8
59.01383	100.0
60.01707	1.1
61.98823	1.8
71.01385	61.3
72.01784	0.9
72.26653	0.9
72.99312	3.4
73.02975	1.0
78.82281	1.1
83.01403	2.2
85.02966	11.4
87.00890	3.8
89.02452	78.1
95.01408	4.1
98.22561	1.9
101.02451	30.7
102.02816	1.2
109.02969	1.3
110.97624	0.9
113.02461	26.4
119.03509	33.9
120.03856	1.1
125.02474	2.1
131.03528	4.3
143.03511	6.7
149.04529	1.8
157.99449	1.1
161.04559	7.8
166.71246	1.0
167.10780	12.6
179.05629	27.1
191.05658	3.3
191.26270	0.9
195.06715	1.5
225.07698	1.2
225.34016	1.0
241.01526	1.0
271.02664	1.6
294.93582	1.2
299.01910	2.4
300.02536	2.4
301.03534	2.5
347.17114	94.3
348.17545	10.4
375.10278	1.1
445.07855	1.3
447.09454	5.3
496.21362	1.0
613.19080	1.1
705.51654	1.2
759.84003	1.2
783.45270	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.0
59.01391	6.2
61.98835	63.6
63.36024	3.4
67.61066	4.0
69.56579	3.6
71.01385	11.0
98.21745	9.9
98.64610	4.1
99.92596	14.2
115.00352	18.7
125.02435	4.9
133.01456	38.0
134.64575	3.5
134.89482	100.0
135.89409	6.0
135.90350	10.0
162.95787	4.1
199.13419	5.5
201.11353	14.5
209.11880	20.1
211.95448	4.1
227.12839	12.9
235.08241	14.3
253.09143	9.7
277.21768	64.0
278.22110	9.4
293.21237	5.5
354.26172	4.6
470.33722	7.5
471.34058	6.0
723.43170	10.6
777.41846	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28250	4.1
57.03453	4.8
59.01381	7.4
61.98835	30.9
69.03413	7.7
69.03807	34.8
71.01386	6.9
78.95908	11.2
84.21262	4.2
87.00825	4.3
87.52708	4.2
96.96011	18.4
108.44270	5.1
125.02435	9.7
133.35141	4.3
152.99554	5.4
158.83232	4.3
195.13933	11.7
201.11342	31.9
209.11836	54.1
210.12190	7.6
223.13411	40.8
227.12921	29.6
235.08212	12.3
253.09250	28.6
274.51123	4.7
277.21762	100.0
278.22119	13.3
293.21249	36.9
314.94293	5.6
445.20749	5.8
459.22256	9.9
470.33591	6.3
471.33981	4.7
486.52704	4.3
513.30518	9.6
549.39819	5.3
687.20337	4.6
777.42047	13.0
778.42773	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97510	0.6
57.03452	34.0
58.51193	0.7
59.01136	0.8
59.01381	11.3
61.98834	8.7
64.58884	0.7
69.09557	7.2
71.01383	5.3
73.02943	4.0
73.11512	0.7
78.95909	0.7
81.03458	2.1
85.02930	1.1
86.02314	0.8
97.43391	0.9
99.04526	31.9
100.04838	1.0
101.02457	13.7
103.01498	0.8
104.04166	0.8
108.98890	0.7
113.02454	1.9
123.04536	2.1
125.02461	30.7
126.02805	2.1
139.07631	1.3
143.03519	2.1
161.04532	1.6
164.65599	0.8
203.05502	1.0
209.11893	1.8
216.45859	0.7
235.94075	0.8
293.21210	0.9
305.08841	6.4
341.17490	1.3
471.34824	100.0
472.35211	20.4
485.36322	3.2
513.36047	1.9
631.68164	0.8
718.46307	0.8
733.45850	1.1
777.44312	9.8
778.44855	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38583	0.8
57.03452	34.1
57.04235	0.9
58.03788	1.1
59.01390	9.5
61.98843	0.9
65.86340	0.9
69.03522	0.9
69.05734	3.2
69.06152	6.3
71.01381	3.9
73.02937	2.9
81.03472	1.2
83.01384	1.6
85.02991	1.5
99.04530	34.6
101.02446	12.4
113.02448	1.4
119.37226	0.9
120.14029	0.9
123.04537	2.1
125.02463	31.1
143.03568	1.6
161.04523	2.1
203.05666	2.2
305.08868	6.7
372.81381	1.0
471.34808	100.0
472.35223	19.2
485.36566	3.9
513.36151	2.3
603.90509	1.1
658.00043	1.1
733.44916	1.8
777.44446	8.5
778.44116	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03189	2.4
57.03451	36.2
57.99502	1.1
59.01378	9.2
60.75689	1.2
61.98829	4.5
62.84758	1.4
67.30811	1.2
67.45453	1.0
70.41628	2.6
71.01379	4.8
73.02933	4.7
80.67027	1.2
81.03465	2.9
83.01383	2.8
92.48994	1.1
99.04523	34.4
101.02455	10.1
109.09172	1.3
113.02449	1.3
123.04530	2.4
125.02463	35.9
125.67621	1.2
143.03467	2.7
161.04527	1.8
305.08820	6.8
381.29843	1.1
444.86713	1.2
459.35742	1.3
471.34811	100.0
472.35077	18.6
485.36484	4.8
513.35901	3.2
777.44250	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01407	1.4
61.98825	2.6
63.02408	1.4
65.00333	1.7
83.01400	1.2
91.23523	1.1
107.01418	2.1
121.02988	1.5
122.03818	2.1
125.02460	1.9
136.01656	1.8
137.02417	1.4
141.66064	1.1
149.02425	2.0
150.03247	7.1
151.00354	5.2
152.01236	1.1
165.05577	7.4
174.03244	1.6
177.01930	2.4
195.06583	5.1
202.02643	5.6
203.14404	2.7
213.01886	5.9
214.02739	3.0
217.01326	1.3
219.03061	1.5
228.07649	1.1
229.01451	1.6
230.02225	9.7
231.02997	1.3
241.01437	26.0
242.02222	56.7
243.02803	9.4
247.13409	13.8
248.13567	1.6
257.00955	7.7
257.04370	1.3
258.01706	51.9
259.02249	6.7
269.00949	9.0
270.01685	21.0
271.02402	6.3
272.03223	10.4
273.04056	50.4
274.01660	1.8
274.04205	5.5
285.00534	2.1
286.01218	32.1
287.01968	6.1
287.05652	13.8
299.02063	2.9
300.02780	1.7
301.03564	39.0
302.03976	3.2
314.00745	2.1
315.01511	9.2
315.05176	6.6
316.02246	2.1
316.05829	11.8
317.06491	2.3
329.03082	33.0
330.03757	11.7
344.05389	59.2
345.01834	1.9
345.06061	29.1
346.06424	3.6
387.07257	3.6
387.14548	1.4
527.87238	1.1
737.19281	4.7
738.19702	1.8
779.20398	100.0
780.20911	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36496	0.5
57.03457	3.7
59.01139	0.5
59.01384	6.9
59.93097	0.5
68.06217	0.5
69.03474	0.9
70.66328	0.6
71.01389	4.5
71.10998	0.9
76.58177	0.5
81.03449	3.0
83.01395	3.2
85.02925	1.0
87.00862	0.6
89.01892	0.7
89.02445	7.5
93.03465	2.0
95.01395	1.1
95.05034	4.5
96.96066	0.8
97.02961	8.2
101.02448	2.3
108.02157	1.5
109.02958	26.5
110.03272	0.8
113.02452	2.0
119.03500	2.1
121.02985	2.9
122.03744	1.2
123.03638	1.0
123.04533	15.4
124.04874	1.0
125.02459	17.3
126.02780	0.8
131.03427	0.6
133.03011	0.6
135.04497	1.5
137.02457	11.2
138.03304	0.8
139.04045	3.6
143.03497	0.7
145.02969	1.3
146.03722	1.9
147.04533	3.6
149.02449	3.7
150.03215	1.7
151.04002	9.4
151.16818	0.6
159.04564	2.9
160.05315	2.8
161.02469	1.4
161.04543	1.4
161.06081	6.5
162.03186	1.8
163.03937	0.7
164.01166	3.9
165.01967	4.5
166.02711	0.5
167.03477	2.0
173.06007	1.4
174.03316	0.8
175.03990	1.8
175.07709	2.5
176.97144	0.5
177.05501	1.0
179.03535	5.9
179.05591	4.0
185.06104	0.8
187.04036	4.6
188.04773	4.3
189.05521	0.9
191.05638	1.1
201.05492	1.2
202.06303	2.0
203.07144	13.9
204.07529	1.1
205.05025	9.1
205.41962	0.5
206.05373	0.6
212.04810	0.9
217.08621	0.6
221.08223	4.1
227.07193	2.3
230.05789	0.9
245.08199	17.9
246.08571	1.5
247.06035	1.0
271.06335	0.7
289.07199	100.0
290.07516	9.0
327.10840	2.4
327.14493	2.1
430.40256	0.5
796.69922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.0
59.13470	0.6
61.98832	0.5
68.21999	0.5
69.12389	1.4
69.12789	4.2
71.01382	5.4
85.02951	1.0
89.02451	6.5
93.03519	0.8
101.02444	3.2
113.02470	2.7
118.28387	0.5
119.03500	3.4
123.04538	0.7
125.02467	0.7
143.03485	0.9
151.00323	1.0
154.71028	0.6
159.04524	1.1
163.00407	1.8
167.10802	1.6
179.05606	2.5
185.06076	0.7
187.04028	0.9
197.06009	0.8
211.04164	0.9
227.03519	28.7
228.03867	1.9
229.05049	4.8
239.03458	0.9
255.03003	46.2
256.03525	6.8
257.04453	2.9
284.03275	50.2
285.04028	56.9
286.04456	5.2
347.17102	9.1
348.17761	0.8
431.09830	100.0
432.10153	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
60.99311	18.4
61.98823	0.8
71.01393	0.6
74.60001	0.2
87.00900	0.5
88.98814	100.0
89.99142	1.4
98.21901	0.8
98.22617	0.5
118.64316	0.2
125.02461	0.3
150.16093	0.2
171.10329	0.6
207.10312	0.4
209.11818	1.3
210.12126	0.3
219.13875	0.7
225.11261	0.3
263.12863	2.2
264.13184	0.3
279.25992	0.2
306.36966	0.2
326.09576	0.2
350.35086	0.2
391.15103	0.2
578.58136	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98632	2.0
59.01385	3.1
61.98838	13.0
62.42179	1.7
71.01404	3.8
71.32150	3.6
72.99300	4.9
75.00870	13.9
78.96445	1.5
81.03504	1.9
83.05041	4.2
88.98816	7.6
99.04539	2.6
101.02449	1.9
113.57381	1.7
125.02464	2.8
136.89154	1.5
138.63214	1.8
151.04041	2.4
155.21436	2.3
163.11333	3.2
165.12866	3.1
171.10347	2.2
209.11838	100.0
210.12140	8.6
219.45467	1.7
227.12892	15.8
253.09363	5.1
269.17325	1.9
271.19186	3.4
303.97342	1.9
312.72031	1.8
336.49866	1.7
407.61365	2.2
407.67130	2.0
445.20798	3.7
547.16107	2.1
600.88507	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81136	3.3
70.82868	4.2
70.83205	6.9
71.01378	7.6
71.49158	3.3
74.30400	3.5
75.25228	3.6
78.95901	4.1
78.98592	7.4
79.95746	40.9
80.96525	100.0
88.53687	3.9
94.98090	18.2
94.99854	3.9
101.02360	4.2
122.97582	6.1
134.97617	7.9
148.99170	8.4
164.98624	14.7
169.11644	5.0
225.00694	25.9
610.28015	4.0
647.15454	4.2
725.20923	4.6
748.12469	4.3
763.39514	24.7
764.39526	10.4
781.40381	76.7
782.40131	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09861	2.0
68.46866	1.9
71.01373	6.9
78.98579	6.9
79.95744	100.0
80.96524	95.3
85.02960	3.2
87.00888	4.9
94.98095	19.7
101.02455	2.7
106.98094	5.3
122.97576	4.6
125.02429	4.2
134.97560	5.4
148.99147	6.7
152.98647	7.7
161.04631	2.7
164.98634	9.8
183.21669	2.5
206.99631	6.1
225.00784	27.7
241.00282	3.7
255.23122	2.3
341.05380	4.3
425.14789	3.4
537.27484	3.2
742.29175	2.4
763.39001	17.7
764.39667	5.4
781.40833	17.1
782.40063	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	2.0
71.01394	2.0
78.95914	41.7
78.98592	1.8
79.95749	8.9
80.96529	18.3
83.05036	4.7
92.58887	0.9
94.98100	3.9
96.96962	9.5
106.98112	0.8
109.79201	0.9
122.97639	1.1
127.23920	0.9
131.11667	0.9
134.97621	1.3
148.99100	1.1
152.98541	1.7
152.99615	10.4
160.20584	0.8
163.11298	3.2
164.98706	3.1
165.12834	2.0
194.41138	0.8
209.11844	38.3
210.12180	3.0
223.00166	2.8
225.00751	5.9
226.01015	0.8
227.12885	3.8
236.05801	1.3
241.01221	23.9
255.23300	19.9
256.23666	2.7
259.02295	1.5
261.00803	0.8
325.59015	0.9
341.05270	1.1
345.35086	0.9
363.12192	1.8
391.22491	1.3
525.17108	2.2
553.28021	2.1
667.64502	1.0
763.39508	6.8
764.39734	1.8
781.41272	100.0
782.41553	28.4
789.13019	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	6.4
66.45918	5.6
66.69158	5.8
71.29531	7.1
78.95914	8.2
130.77361	7.4
160.86926	5.2
232.66078	6.2
239.03688	5.8
295.22842	8.0
318.05316	5.5
466.56424	5.4
482.13928	6.2
485.32703	100.0
486.33170	16.1
791.60956	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.98539	0.3
69.01787	1.2
78.91902	0.1
87.23945	0.1
88.98822	0.1
89.09735	0.1
98.22321	0.5
102.38068	0.1
155.30530	0.1
209.11888	0.1
239.12958	0.1
252.49358	0.1
474.60541	0.1
599.51477	0.1
723.04285	0.2
792.43292	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.5181
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	4.4
64.13767	1.1
71.31733	2.1
80.96522	1.2
82.62823	1.2
83.53016	1.2
87.05629	4.6
108.42350	1.3
112.07704	2.2
129.10355	17.8
130.08746	3.1
139.08786	4.1
140.07181	3.3
146.06122	2.4
153.10344	1.8
155.08261	4.6
155.11880	2.1
164.09554	4.2
165.10326	6.6
167.08315	2.0
176.75806	1.2
180.11491	1.4
182.12994	3.8
183.11374	3.5
197.16635	4.0
200.14067	4.9
204.19940	1.2
207.15024	17.4
222.28400	1.2
223.08475	1.3
224.17662	8.1
225.16106	3.3
241.13577	2.5
242.11855	2.4
242.18759	11.8
243.19350	1.3
252.17429	1.2
253.09573	1.3
259.14502	2.5
267.46997	1.7
276.17233	1.6
293.21310	1.7
295.21469	5.1
299.20160	3.0
300.20615	1.6
313.22516	4.0
329.19885	1.4
330.18561	1.3
337.25986	8.2
355.27173	3.2
443.27042	1.7
539.39325	5.0
540.39636	1.4
549.53387	1.5
556.35596	1.6
573.37567	6.5
615.42200	2.6
716.13599	1.4
782.51947	100.0
783.52502	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.7
60.08413	2.2
61.98823	8.3
69.69614	7.9
69.70031	4.2
71.01393	3.2
77.54642	1.9
83.04998	4.2
89.02472	2.4
141.64719	1.9
163.11148	2.9
165.12784	2.2
189.88855	2.5
209.11841	100.0
210.12172	9.2
227.12991	15.0
235.08264	2.7
253.09250	7.3
277.21744	49.5
278.22110	6.0
293.21136	3.5
297.44571	2.2
379.96646	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	5.4
61.98824	7.3
62.16584	3.0
63.12263	3.1
71.01378	4.6
78.95913	2.8
80.41314	2.9
80.96524	8.2
83.05034	4.4
86.26906	2.7
96.86597	2.7
97.85157	3.3
101.02481	3.9
113.02541	3.3
163.11197	3.1
189.61548	2.9
209.11845	68.6
210.12148	5.6
216.52974	2.8
227.12865	8.6
229.22113	3.1
235.08252	4.9
245.51466	2.9
253.09299	5.6
264.06494	2.9
277.21750	100.0
278.22134	11.1
281.79822	2.9
320.04736	2.8
519.98145	3.1
783.41785	7.7
783.56567	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.3
59.01371	0.2
61.98836	100.0
62.98538	0.2
62.99845	0.2
63.69352	0.1
65.14904	0.1
68.99572	0.2
70.58459	0.3
71.01424	0.2
78.91892	0.3
83.67815	0.2
88.98822	0.2
96.96029	0.2
98.21841	0.2
111.04601	0.1
116.92900	0.1
123.04543	0.1
125.02471	0.6
127.68737	0.1
133.03023	0.2
135.04529	0.2
136.05389	0.3
137.02516	0.4
141.78021	0.1
151.04088	0.1
161.02438	0.2
165.01913	0.2
171.10329	0.2
191.05724	0.2
209.11934	0.4
225.11272	0.2
289.07263	0.4
475.64499	0.2
715.48438	0.1
785.43286	0.2
789.74780	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
70.06218	1.2
78.98607	0.3
79.95771	0.4
80.96519	2.5
86.58035	0.3
94.98131	0.3
125.02464	0.4
129.08276	0.2
152.98657	0.3
153.62242	0.3
164.98668	0.6
192.77296	0.2
209.11867	0.7
225.00793	0.8
235.80551	0.3
277.21762	0.4
278.21985	0.5
324.71872	0.3
616.30109	0.3
784.42456	2.4
785.42621	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.98500	0.4
70.87945	0.9
71.01435	0.4
79.95302	0.4
79.95791	0.5
80.96510	3.4
85.00478	0.8
94.98126	0.5
133.71825	0.4
136.55302	0.4
159.80499	0.4
225.00818	0.8
267.56824	0.4
268.09900	0.4
345.83246	0.5
613.21393	0.5
784.42303	2.9
785.43207	0.6
819.54767	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
62.55388	0.2
62.98566	0.3
64.87568	0.2
68.99654	0.7
69.00081	0.9
71.01404	0.3
74.30448	0.2
78.51051	0.2
78.98609	0.3
79.95777	0.7
80.96525	3.7
82.96101	0.2
84.89539	0.2
94.98113	0.9
98.21710	0.3
106.98090	0.2
116.92933	0.2
134.97664	0.2
148.99171	0.2
149.93634	0.2
164.98700	0.3
198.14000	0.2
225.00871	0.7
520.93048	0.2
715.11810	0.2
732.32416	0.2
784.42505	4.2
785.41467	1.5
789.47485	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	0.9
91.01922	0.7
108.90208	3.9
120.02216	0.8
121.02966	100.0
122.03302	3.2
126.90456	2.3
136.01669	0.5
165.01921	2.7
181.06593	2.4
191.03546	2.7
209.04555	65.5
210.04897	3.3
225.05550	1.6
242.81967	0.4
262.96939	0.5
279.57376	0.6
313.07175	4.0
357.06088	1.9
401.08777	9.6
402.09122	1.8
419.06967	0.8
475.05087	0.6
480.78519	0.5
487.50339	0.7
501.53687	0.6
741.14886	0.6
785.17291	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
65.00328	0.8
71.01376	0.6
71.30235	1.0
83.05038	0.8
85.02955	15.1
87.00886	2.5
89.00358	0.5
93.03472	7.4
108.02181	0.8
109.02975	2.6
111.04518	2.0
115.51083	0.6
119.05009	1.6
121.02969	5.2
125.02434	0.6
127.04019	2.5
134.03745	0.5
135.04549	0.6
137.02444	0.6
137.25983	0.5
145.02927	0.9
145.08745	0.7
148.01701	1.9
151.00407	0.9
158.22084	0.5
171.03078	0.8
173.04593	1.7
176.98297	1.0
177.01997	0.9
183.04442	0.9
187.03996	1.2
189.01830	0.6
191.05627	79.5
192.06007	4.2
201.05717	0.5
202.99858	3.1
205.01404	1.9
209.69263	0.5
211.04015	1.3
216.00566	0.7
219.06284	0.5
225.05653	0.8
227.03665	0.9
229.01445	1.1
229.04951	0.6
237.05721	0.7
243.02994	1.4
248.14436	0.5
253.01198	0.6
253.05025	1.5
255.03014	11.3
256.03738	1.2
259.02594	0.6
267.03024	1.3
268.03894	1.0
269.04556	2.0
270.01709	0.9
271.02521	4.5
281.04602	3.9
282.01669	0.7
283.02438	2.9
284.03070	0.9
287.02023	3.3
295.02496	2.4
296.03265	1.1
297.04053	35.7
298.04330	3.8
299.02112	0.8
300.02826	4.1
301.03522	2.6
307.02496	0.6
315.01535	4.6
316.02158	4.0
323.01923	1.8
324.02780	2.0
325.03442	4.2
326.04071	1.1
327.05136	0.8
331.04712	0.8
337.09314	1.7
359.05692	1.4
361.07071	0.6
373.07175	1.1
389.06686	2.1
401.06622	3.7
405.06223	1.3
417.06232	3.2
418.06876	2.2
446.06445	43.0
447.07095	24.4
448.07742	2.3
593.13037	100.0
594.13342	19.4
607.61145	0.5
611.14319	1.3
672.48840	0.6
785.21680	4.9
786.22229	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.6
71.01350	1.4
71.31072	1.2
73.33376	0.9
77.73781	0.8
85.02950	1.3
89.02448	1.1
93.03447	1.7
96.95997	1.0
107.01421	2.2
124.01676	1.6
125.02460	3.5
131.07158	2.5
135.04579	1.1
136.01685	1.4
137.02531	1.4
145.02969	1.2
149.02452	1.0
151.00378	7.3
151.04016	2.0
152.01180	1.2
157.02945	2.0
159.04521	3.4
161.02477	1.5
163.00320	2.4
164.01169	1.9
173.04602	1.9
175.04005	1.7
177.01955	2.1
178.99858	5.1
187.04025	2.2
191.03819	0.8
191.05647	5.2
199.04083	1.5
203.03572	5.2
213.01970	1.3
214.02739	3.6
215.03525	5.1
218.43704	0.9
229.01413	12.8
230.01978	1.5
231.00957	1.0
231.02921	5.5
242.02342	2.5
243.03000	7.4
244.03380	1.1
251.07191	2.4
259.02518	12.1
268.88712	1.1
270.01822	3.9
271.02521	24.9
271.09909	1.8
272.02921	2.7
279.06674	1.6
287.01993	61.2
288.02322	6.3
301.03406	1.1
307.13992	2.0
315.01508	100.0
316.02206	91.5
317.02658	10.1
323.05566	6.7
329.03122	1.7
330.03763	5.0
331.04578	16.6
332.04974	1.6
407.08224	1.1
511.89050	1.0
565.64996	1.1
611.14026	2.7
770.18665	1.5
785.21478	90.7
786.21667	28.4
811.04456	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70195	1.1
58.00600	3.0
59.01384	85.1
69.46282	7.4
71.01389	49.3
72.01694	1.3
72.99305	3.8
76.76432	1.0
83.01374	1.4
85.02956	13.6
87.00905	2.6
89.02454	69.8
90.02786	2.4
93.03492	1.8
94.33250	1.2
95.01414	4.3
98.21823	2.3
99.00826	1.1
101.02448	23.9
113.02464	23.0
119.03518	29.4
119.05019	1.9
125.02468	1.7
131.03526	2.7
143.03497	7.7
145.02971	4.1
147.04538	100.0
148.04886	4.6
149.04552	3.7
151.00406	1.4
161.04605	6.4
161.05763	1.2
163.03993	1.7
173.04492	1.5
179.05637	32.9
180.05994	1.4
191.05638	17.6
192.05943	1.3
214.02583	1.2
228.83209	1.2
243.02914	1.2
255.02982	1.9
270.01385	1.5
271.02524	1.9
297.04089	4.2
300.02591	2.7
313.03482	2.5
314.04443	2.1
315.05145	4.5
327.10867	46.8
328.11142	4.5
399.55859	1.1
446.06229	7.5
447.07239	4.5
593.12976	12.0
594.12872	1.6
623.16248	6.1
814.30365	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
59.01391	11.8
61.98838	23.4
69.03458	6.6
71.01390	9.8
71.05014	1.8
71.31665	2.0
73.02943	1.9
80.25311	1.6
81.03435	1.7
83.05045	3.9
85.02961	3.3
87.00887	2.9
87.60941	1.6
89.02455	4.2
95.01433	1.5
95.05064	2.4
96.96020	5.5
97.02981	1.7
97.06606	2.4
98.22551	1.5
101.02435	3.9
109.06597	1.8
113.02475	3.8
123.08199	2.0
125.02473	2.2
125.09745	5.2
127.07664	3.5
135.08253	1.8
151.11371	2.7
153.09315	3.0
153.12885	1.5
153.96649	1.5
161.09734	4.3
163.11325	1.9
171.10275	8.0
179.10776	7.7
185.11838	5.9
197.11836	72.9
198.12245	4.7
207.10269	3.0
209.11844	23.8
223.09753	2.5
225.11401	4.5
241.10887	3.5
253.09383	5.0
259.77548	1.6
289.18243	4.1
307.19174	10.4
325.20364	2.9
341.23114	1.6
477.20065	2.7
767.38171	4.6
768.39587	1.7
785.39709	100.0
786.40088	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	7.6
59.01375	11.3
61.98834	19.2
62.30269	2.6
66.38968	2.6
67.67551	2.7
71.01386	4.9
74.02476	14.6
78.95909	2.6
85.02960	3.4
86.02480	4.2
87.05621	4.2
96.96011	15.5
97.06589	2.9
99.05646	12.5
122.40150	2.8
123.04583	3.2
123.05629	3.9
125.02422	3.1
128.03549	35.8
132.05234	2.7
141.06665	3.0
143.04639	46.7
144.04932	3.0
147.12457	2.8
153.06711	3.3
160.00749	13.4
163.11227	3.0
164.33583	3.9
171.10336	10.5
177.03358	4.7
179.04626	10.3
197.11769	5.1
199.13554	3.2
201.11371	8.1
207.10252	3.4
209.11847	21.8
210.08867	6.7
216.97598	3.2
225.11404	4.9
227.12883	7.6
250.15135	2.7
253.09406	4.5
254.07835	9.8
272.08862	26.0
288.06653	8.2
306.07675	100.0
307.07977	9.2
341.23590	5.4
692.42993	3.3
749.91302	3.4
786.37488	5.5
787.40509	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.2
61.98835	100.0
62.98525	0.2
64.84270	0.2
71.01387	0.2
71.32243	0.2
75.27432	0.2
78.95922	0.3
80.96528	0.4
82.51732	0.1
94.98131	0.4
96.96032	1.4
96.96996	0.2
123.04563	0.2
125.02464	1.4
134.22496	0.2
135.04517	0.3
137.02484	0.4
151.04051	0.4
161.02553	0.3
165.01985	0.3
173.04677	0.2
180.04065	0.2
191.05707	0.4
203.07190	0.2
209.11832	0.4
223.16672	0.2
234.14633	0.1
289.07379	0.7
413.20319	0.6
515.16687	0.2
537.06299	0.2
541.77197	0.2
769.32886	0.2
786.34094	0.5
787.32898	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08398	0.4
61.01347	0.6
61.98833	100.0
64.10171	0.6
73.67563	0.5
75.40741	0.5
92.42662	0.5
121.51475	0.6
166.03879	0.7
206.99040	0.5
307.82916	0.6
527.06995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.69635	0.4
61.98834	100.0
71.29623	0.5
109.71124	0.4
122.84331	0.5
174.92122	0.4
383.34628	0.4
407.63040	0.5
581.20654	0.4
741.40076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
59.01393	3.9
59.37116	0.7
65.95985	0.6
67.01889	1.4
69.03458	1.4
69.15380	5.4
71.01389	14.8
73.02937	2.0
77.49777	0.6
81.03448	1.7
83.01381	1.0
83.05011	1.8
85.02945	5.5
87.00867	1.5
89.02462	2.4
91.05563	0.8
93.03467	18.4
94.03773	0.8
95.01421	0.8
97.02951	2.7
99.00854	0.7
99.04585	0.6
101.02431	3.7
107.05038	0.7
109.02948	5.1
111.04530	6.1
113.02438	2.8
115.00372	15.3
117.03469	1.3
119.05038	3.5
121.02944	2.0
125.02460	7.8
129.01978	1.2
129.03447	0.9
131.05043	0.7
133.02979	3.2
134.03749	1.2
135.04533	24.2
136.04903	1.1
137.02426	1.9
143.05038	1.0
145.02966	1.9
145.06702	0.9
146.03729	2.5
147.04507	5.8
148.05388	0.9
149.06035	1.1
155.03500	5.9
159.04543	2.3
161.02475	3.6
161.04564	2.8
161.06094	7.4
163.04008	2.8
171.04567	1.2
173.04559	34.8
174.03285	1.4
174.04854	1.5
175.04048	1.7
179.03505	22.7
180.03856	1.2
185.06071	1.5
187.03987	1.7
187.07550	0.9
191.05612	19.9
192.06027	1.0
199.07675	2.0
203.03342	1.0
204.03864	0.6
209.06068	1.2
210.06902	2.0
211.07704	0.8
217.08800	0.7
222.06711	1.0
223.02306	0.7
225.05655	1.6
226.06351	6.1
227.07146	100.0
228.07484	8.9
235.07732	0.7
238.06343	1.8
239.07106	5.8
251.06952	0.8
253.08707	11.0
254.09279	1.4
255.10274	11.4
259.04602	4.6
260.05118	0.7
263.07101	2.4
266.05841	4.3
271.02496	0.7
279.06644	1.3
280.07315	0.8
281.08200	24.7
282.08432	3.0
282.91235	0.8
299.09283	1.5
312.75198	0.6
321.15546	4.2
322.15793	0.8
323.16461	0.7
325.07242	5.4
337.09219	0.9
341.10275	7.3
342.10739	0.8
353.08801	4.3
383.11472	5.1
384.11740	0.8
385.07755	18.0
386.08206	2.2
439.13660	0.7
443.13559	9.2
444.13870	2.5
449.10928	2.1
487.12503	5.3
488.12723	1.5
559.12848	2.2
569.16632	3.2
613.15759	9.2
614.16077	2.3
787.21228	8.3
788.21454	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	1.2
59.01388	2.9
62.98177	0.9
67.01891	1.0
69.03439	1.7
69.67264	0.9
71.01387	18.7
71.12694	2.2
73.02955	1.6
78.77909	0.9
81.03439	1.4
83.01409	1.5
83.05019	2.2
85.02931	5.0
87.00872	1.8
93.03474	18.6
94.03809	0.9
95.01390	1.7
97.02961	3.2
99.00887	1.0
100.00234	0.8
101.02460	2.8
101.36371	0.8
107.05037	2.1
109.02948	5.3
111.04539	8.9
111.80567	0.8
113.02460	2.6
115.00380	19.7
116.00677	0.8
117.03469	1.6
119.05040	5.4
121.02989	3.3
122.03681	0.9
123.04498	0.8
125.02462	10.5
127.04015	1.4
133.02975	3.5
134.03766	2.0
135.04538	34.5
136.04823	1.9
137.02455	2.9
145.02968	3.3
146.03725	3.1
147.04535	7.8
155.03487	7.2
159.04524	1.8
161.02432	8.6
161.04608	3.6
161.06107	8.0
163.04019	3.9
173.04567	37.3
174.03271	0.9
175.03973	1.6
179.03516	30.8
180.03830	1.3
185.06009	2.0
187.04089	1.4
191.05634	24.1
199.07729	1.6
203.03438	1.0
209.06142	1.3
210.06844	3.2
213.09111	1.1
225.05544	2.0
225.09198	0.9
226.06383	6.2
227.07150	100.0
228.07477	9.0
235.07747	1.6
238.06319	2.2
239.07144	7.0
251.07124	2.6
253.08797	11.2
254.09166	1.9
255.10281	12.8
259.04572	6.9
263.07147	2.5
266.05835	4.1
279.06580	1.6
280.07339	1.8
281.08218	26.8
282.08563	2.1
287.07672	1.1
295.09729	1.4
299.09253	1.4
325.07196	5.9
326.07330	1.0
337.09189	1.8
341.10223	10.7
342.10822	1.2
353.08804	3.4
373.28012	0.9
383.11441	5.2
385.07770	22.6
386.08157	1.9
421.03250	1.1
439.13965	1.0
443.13702	11.3
444.13818	2.1
449.10852	2.7
487.12415	7.5
488.12686	1.1
515.33521	0.9
559.13153	3.2
569.16455	3.4
595.14215	1.0
613.15479	11.4
614.15912	4.0
787.20935	10.1
788.20972	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.1
59.01376	3.7
60.25274	0.8
67.01886	1.0
69.37827	3.0
69.38247	2.9
71.01390	8.4
73.02923	1.0
81.03474	1.0
83.05026	1.6
83.11983	0.8
85.02956	9.9
85.15944	0.8
87.00890	4.0
93.03473	17.7
93.71421	0.9
101.02445	1.0
107.05013	1.6
109.02987	3.5
111.04549	6.5
115.00383	6.3
117.03468	3.7
119.05042	7.4
121.02937	1.0
125.02480	2.9
127.04022	2.7
133.02995	4.2
133.06654	1.3
134.03757	5.9
135.04541	100.0
136.04869	4.5
137.02483	1.7
145.02975	5.0
146.03763	1.8
147.04541	1.9
155.03517	4.9
159.04520	2.9
161.02461	12.3
161.04623	1.4
161.06071	2.8
163.04015	10.4
173.04584	22.1
173.06004	1.5
175.07637	2.4
179.03513	93.9
180.03828	4.6
187.04001	1.3
187.07663	3.4
189.05673	0.9
191.05632	83.4
192.05984	6.2
203.07132	2.2
215.07146	2.1
217.08742	2.4
218.09474	1.0
226.06340	1.3
227.07138	23.5
228.07408	2.2
238.06447	2.2
239.07137	9.5
250.06277	1.0
250.33090	0.9
253.08766	4.7
255.10191	6.8
256.49359	0.9
259.04587	1.5
266.05826	1.8
275.09235	1.4
279.10297	1.9
281.08261	10.0
299.09418	1.4
322.50500	0.9
323.07623	0.9
325.06937	2.0
337.09329	3.0
341.10315	5.5
351.16141	3.5
353.08801	17.4
354.09058	2.7
383.11389	3.6
385.07892	7.5
385.19464	1.1
419.47931	1.0
433.11465	2.7
439.13959	6.1
443.13324	6.3
447.07150	1.6
448.07361	2.0
449.10995	5.2
487.12222	2.6
524.57465	1.0
593.12878	1.5
594.13232	1.5
595.13568	5.1
613.15955	6.5
633.10376	1.1
736.36340	0.9
787.21875	10.8
788.22516	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	22.9
61.98836	100.0
71.01391	48.0
78.95903	29.5
89.02453	11.1
95.23869	10.3
98.24704	12.8
109.06628	17.8
118.73638	11.4
120.33149	11.0
120.97001	10.0
123.04586	16.8
125.02456	21.4
152.99606	11.5
163.11317	23.0
171.10275	30.7
184.91629	12.6
191.05632	34.9
207.10344	38.4
209.11826	64.6
225.11258	52.2
232.11523	12.8
253.09383	31.4
289.07178	14.5
291.19736	33.4
293.21393	61.5
307.19247	22.7
461.20816	15.9
530.99188	13.2
634.96667	11.8
751.39618	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31953	1.0
57.03418	1.0
59.01371	1.5
60.91621	1.0
61.98516	1.7
61.98838	32.9
63.96227	1.8
69.03442	1.8
70.86761	1.3
70.87096	1.7
71.01388	8.4
73.02939	2.5
75.00871	1.1
75.65631	1.2
78.95920	5.3
78.98603	8.5
79.95744	20.3
80.96526	100.0
81.03472	1.3
82.31712	1.2
83.05032	1.7
85.02957	3.7
87.00886	5.2
94.98091	25.1
95.01427	1.0
96.96042	1.9
97.02966	1.8
99.00880	1.4
101.02422	2.5
106.98106	3.4
110.02220	1.2
122.97614	3.6
124.42741	1.0
125.02470	4.2
127.03999	1.3
128.37247	1.1
134.97626	6.2
136.99159	2.3
148.99136	8.9
152.98648	9.0
164.98662	12.3
167.00320	1.5
171.10323	1.3
195.13908	1.3
206.99681	2.6
208.24533	1.2
209.11867	2.7
219.13936	1.8
220.14308	1.7
225.00755	28.3
226.01123	1.7
239.33031	1.1
277.21823	3.1
295.22787	2.2
296.23199	3.2
301.14359	1.1
311.22375	2.5
312.22742	1.7
491.57767	1.3
500.68967	1.0
509.17059	2.6
571.61414	1.1
698.58038	1.2
787.39337	90.5
788.39886	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	48.2
61.98828	100.0
62.83507	17.2
71.01382	25.0
71.21664	18.0
72.72557	14.0
80.74171	13.5
88.37962	17.4
89.53518	13.1
125.02481	38.1
137.73857	18.6
194.48352	15.6
197.11774	14.9
201.11314	21.0
209.11879	38.9
223.13391	36.4
309.20660	20.9
451.61533	14.9
704.91125	16.1
787.40405	21.9
804.56165	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
59.01385	4.0
59.51392	0.4
61.98828	0.7
68.17805	0.4
69.03463	0.7
71.01392	7.3
71.31898	0.7
71.32276	0.4
71.76474	0.4
72.99297	0.4
73.02956	0.8
78.95913	0.4
80.02676	1.0
81.03451	1.2
83.01401	0.6
83.05032	5.3
84.02176	1.6
84.05402	0.4
85.02944	1.9
87.00873	1.5
89.02442	3.2
95.05042	1.5
96.96029	2.5
97.02961	0.7
97.06604	4.1
99.00882	0.9
99.04527	0.7
101.02456	3.4
101.90566	0.4
107.05091	0.6
109.06581	1.7
111.08132	0.5
113.02453	1.5
116.92871	0.5
119.03527	0.6
121.06635	0.4
123.04530	0.7
125.02415	0.5
125.06095	1.6
125.09755	2.0
127.07652	0.4
127.11295	1.3
135.08200	0.8
137.09702	0.7
139.07661	1.5
145.05020	0.4
153.09224	1.1
155.10805	1.0
155.13710	0.4
161.04614	1.9
163.11308	5.1
165.09242	0.6
165.12851	2.8
169.08698	2.4
171.10289	14.1
172.10648	0.8
175.11316	0.5
181.12430	1.0
183.14015	0.5
185.11841	1.3
189.09215	0.5
191.10803	1.2
193.12347	3.1
197.11856	2.1
199.13466	0.5
201.11345	19.2
202.11702	1.3
207.10289	1.5
209.11848	100.0
210.12183	6.7
211.13426	1.8
213.11354	0.7
225.11438	3.3
225.14948	5.4
226.11717	0.5
226.15300	0.4
227.12924	11.7
228.13116	0.5
235.08250	5.4
243.15967	2.5
249.03670	0.4
253.09302	13.6
254.09557	0.7
279.19644	0.5
287.16669	0.6
289.18256	0.5
291.19611	0.8
292.07962	0.5
305.17633	2.9
305.20871	0.8
307.19180	3.2
323.18546	1.1
323.22192	0.6
325.20224	1.9
327.51099	0.4
341.23355	35.3
342.23648	4.3
437.20477	0.5
445.20963	1.5
522.35077	0.4
533.35162	1.3
541.26514	1.1
577.33179	0.4
769.39972	0.7
784.78845	0.5
787.41364	1.0
788.40204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09053	0.5
57.03442	0.7
57.07706	0.4
57.58002	0.4
58.00577	0.5
59.01377	4.2
61.98821	1.5
64.05802	0.4
65.79372	0.6
69.00394	4.3
69.03461	0.7
71.01389	7.1
73.02930	1.4
78.26089	0.4
80.02660	0.8
81.03469	1.5
83.01382	0.5
83.05038	5.9
84.02158	2.3
85.02969	1.5
85.17519	0.4
87.00871	1.2
89.02452	2.3
95.05043	1.6
96.96031	1.6
97.02953	1.0
97.06582	4.4
99.04559	0.7
100.96902	0.4
101.02450	4.0
109.06590	0.7
111.08192	0.8
113.02435	1.7
119.03484	1.2
125.02502	1.0
125.06087	1.2
125.09715	1.7
127.11327	0.8
135.08174	0.6
137.09705	1.1
139.07657	1.2
147.82793	0.4
153.09227	0.7
161.04558	2.5
163.11313	3.9
165.09212	0.7
165.12833	2.9
169.08611	0.9
171.10287	15.5
172.10628	0.6
179.05602	0.8
181.12379	1.1
183.10240	0.4
185.11873	1.0
191.10818	0.9
193.12334	4.3
197.11884	1.9
199.09651	0.5
201.11337	12.2
202.11629	1.0
207.10217	1.4
209.11841	100.0
210.12199	5.9
211.13385	2.5
221.11858	0.6
225.11374	2.9
225.14949	6.4
227.12914	10.1
228.13341	0.7
235.08228	5.3
243.16003	2.8
253.09300	15.4
253.14418	0.6
254.09689	0.8
279.19366	0.5
289.18021	0.5
289.62384	0.4
291.19702	0.8
305.17590	2.1
305.20850	0.9
307.19144	1.5
323.18884	0.6
323.22418	0.7
325.20267	2.2
341.23334	50.8
342.23767	6.1
437.20261	0.7
445.20685	1.3
533.34967	1.6
538.88165	0.5
541.26660	0.7
577.32465	0.7
769.39978	0.6
787.41003	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00872	0.7
87.89996	0.2
99.92597	15.2
100.92603	0.6
114.93435	0.5
116.92873	100.0
117.01947	0.5
117.92886	6.2
127.18482	0.2
133.59143	0.3
134.89462	0.3
136.45024	0.3
188.85921	0.3
508.88956	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
59.01371	0.6
60.83611	0.2
61.84523	0.2
71.01381	0.6
73.76204	0.2
83.01392	0.3
83.05029	0.6
83.67440	0.2
85.02972	1.6
87.00919	0.3
93.03461	2.6
94.03774	0.3
98.22575	0.4
109.02963	0.4
111.04532	2.1
114.29556	0.3
117.03502	0.2
119.05036	45.9
120.05368	1.8
123.04534	0.2
125.02461	1.3
129.01878	0.2
135.04552	0.5
136.24020	0.2
137.02460	2.7
145.02940	0.3
151.03999	0.4
155.03513	2.3
163.04025	100.0
164.04366	5.6
173.04555	4.3
175.00285	0.3
176.37216	0.2
191.01961	0.7
191.05621	8.1
192.05937	0.5
298.17764	0.2
309.01614	0.4
337.09302	28.7
338.09622	2.5
356.31656	0.2
411.03961	0.2
451.12564	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.2
61.98833	6.3
65.54570	0.7
69.08519	2.7
69.08939	3.9
71.01376	2.9
73.81412	0.9
78.09701	0.7
85.02958	1.6
90.81908	0.6
95.01392	0.8
96.96016	1.7
101.02460	1.2
109.02950	2.7
113.02468	0.9
123.00898	1.7
123.04556	0.9
124.01670	1.0
125.02454	2.2
126.29205	0.7
137.02455	11.6
138.03259	0.7
139.00375	1.1
139.04002	2.2
149.02489	1.5
149.06122	1.0
150.03212	0.8
151.00371	22.0
151.04012	2.6
152.01097	2.0
152.04834	2.1
153.01961	1.1
153.05698	0.6
160.05429	0.7
161.02489	1.6
162.03142	0.7
163.03952	1.0
166.02725	71.7
167.03377	4.7
173.02376	1.1
175.03981	2.7
176.04791	1.3
177.01996	3.8
177.05595	1.7
179.03450	1.0
179.07210	0.8
181.05078	93.4
182.05417	4.6
187.04013	2.4
188.04829	0.9
190.06371	1.7
191.03484	2.4
193.05194	0.9
204.04251	1.1
205.04991	5.6
205.08801	1.4
206.05821	2.4
207.06638	1.6
209.11877	1.2
219.06569	0.9
220.07480	2.0
221.08250	5.1
222.08794	0.8
233.08215	1.2
235.09874	0.9
244.66711	0.8
289.07385	0.8
339.08737	2.4
354.10916	1.2
357.09738	0.9
359.11520	2.5
372.12048	5.5
373.12842	0.9
387.10693	12.2
387.14606	23.3
388.11060	2.0
388.15030	2.9
399.14380	1.5
401.16116	1.4
402.13226	12.6
403.13922	3.4
417.15570	100.0
418.15903	11.5
431.17068	2.0
495.29807	0.9
583.76898	0.8
591.27222	0.8
597.23431	9.2
598.22571	1.4
609.24091	0.9
627.24493	38.0
628.24792	8.4
631.68457	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45504	1.5
57.02111	1.3
57.03450	32.7
59.01384	16.9
60.99289	1.8
61.98835	28.4
71.01044	1.7
71.01376	11.2
71.55704	1.4
73.02950	1.9
81.03461	2.0
83.05043	2.0
87.00896	1.7
89.02429	2.4
97.06610	2.6
98.22543	4.6
99.04523	19.6
101.02443	12.9
125.02436	15.8
135.08136	1.8
161.04584	5.2
163.11252	1.9
165.12865	3.2
171.10265	1.9
203.05508	2.6
209.11839	69.1
210.12198	2.9
211.13333	2.0
225.11353	3.0
227.12944	12.9
235.08293	2.0
253.09236	6.3
263.20053	2.1
289.18076	4.7
291.19644	3.5
305.08823	23.1
306.09241	2.5
307.19131	10.9
313.60388	1.6
424.25269	2.0
439.32388	10.5
440.32172	3.1
445.20844	4.0
465.30005	5.0
483.31195	100.0
484.31503	21.1
506.38754	1.7
635.67834	2.0
645.36383	10.4
687.37775	3.3
753.40424	2.5
789.40137	9.2
790.40265	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45504	1.5
57.02111	1.3
57.03450	32.7
59.01384	16.9
60.99289	1.8
61.98835	28.4
71.01044	1.7
71.01376	11.2
71.55704	1.4
73.02950	1.9
81.03461	2.0
83.05043	2.0
87.00896	1.7
89.02429	2.4
97.06610	2.6
98.22543	4.6
99.04523	19.6
101.02443	12.9
125.02436	15.8
135.08136	1.8
161.04584	5.2
163.11252	1.9
165.12865	3.2
171.10265	1.9
203.05508	2.6
209.11839	69.1
210.12198	2.9
211.13333	2.0
225.11353	3.0
227.12944	12.9
235.08293	2.0
253.09236	6.3
263.20053	2.1
289.18076	4.7
291.19644	3.5
305.08823	23.1
306.09241	2.5
307.19131	10.9
313.60388	1.6
424.25269	2.0
439.32388	10.5
440.32172	3.1
445.20844	4.0
465.30005	5.0
483.31195	100.0
484.31503	21.1
506.38754	1.7
635.67834	2.0
645.36383	10.4
687.37775	3.3
753.40424	2.5
789.40137	9.2
790.40265	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80275	3.5
57.03452	25.7
59.01375	15.0
61.98840	39.7
71.01390	12.2
78.95887	4.2
89.02412	3.1
93.03477	4.2
98.22534	8.0
99.04507	18.2
101.02455	9.9
125.02432	15.7
207.10284	4.6
208.22614	3.8
209.11838	100.0
210.12216	7.9
227.12865	22.7
228.41672	3.5
235.08325	4.1
253.09282	12.5
289.18179	6.7
291.19702	10.3
305.08896	18.8
307.19147	22.0
308.19504	4.9
332.26569	3.6
431.10724	3.6
439.32382	9.6
483.31195	78.9
484.31451	15.4
504.38150	3.8
543.28021	3.9
645.36560	10.5
735.40265	6.4
789.38495	11.0
790.38953	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	9.1
59.01374	14.1
61.64949	7.9
61.98825	29.2
63.13327	6.6
70.95073	9.1
71.01384	16.5
74.10446	6.8
78.95894	12.3
95.59515	7.7
99.04539	9.0
101.02502	8.8
102.30807	7.5
109.23852	7.8
126.61833	8.0
171.91145	8.1
197.11882	11.6
207.10246	29.5
209.11804	100.0
225.11386	9.6
227.12834	26.7
253.09242	20.2
289.18188	39.7
291.19839	12.2
307.19022	38.1
309.20651	29.6
350.51495	8.7
483.30856	9.8
523.88220	8.7
528.98199	9.2
692.85760	8.3
753.40399	21.8
789.37720	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	34.9
59.01096	0.7
59.01385	8.8
61.98840	4.3
69.08499	6.7
71.01386	5.2
72.99310	1.1
73.02935	2.8
75.16457	0.7
75.64023	0.6
81.03448	2.3
83.01401	1.3
85.02943	1.4
89.02450	1.0
97.02987	0.8
99.04525	33.1
100.04856	1.4
101.02445	14.1
101.87530	0.6
113.02450	1.4
123.04519	2.6
125.02458	37.5
126.02774	1.8
143.03499	2.5
159.03047	0.7
161.04556	2.8
174.01796	0.7
193.00082	0.7
203.05725	1.0
209.11839	0.7
235.17192	0.9
243.08574	0.8
269.19089	0.7
291.19711	1.6
292.19916	0.9
305.08804	7.4
439.32196	29.7
440.32504	7.4
453.33902	3.0
481.33267	1.3
483.31183	100.0
484.31534	19.2
497.32492	1.6
525.32245	3.0
526.32538	0.7
534.66602	0.6
553.63293	0.7
645.36389	1.2
646.36536	0.9
660.18146	0.7
789.40558	8.2
790.40466	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	33.4
59.01387	14.0
61.98828	4.2
70.96371	2.9
71.01380	5.7
73.02942	3.9
79.05464	1.0
81.03464	3.8
83.01406	2.2
92.23083	1.1
99.04526	38.2
101.02453	12.5
113.02473	2.3
123.04535	1.1
125.02464	43.5
143.03505	2.9
154.80602	1.0
161.04582	2.9
179.87967	0.9
203.05647	2.0
209.11752	3.0
210.12180	1.3
305.08810	9.4
307.19125	1.6
327.22052	1.1
379.30154	1.1
395.33124	6.8
396.33832	1.7
421.30746	1.8
439.32312	1.8
465.30029	1.9
483.31165	100.0
484.31546	23.3
497.32718	1.5
516.71259	1.2
525.32288	12.5
526.32690	2.9
537.17328	1.2
712.02173	1.3
789.40723	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70197	0.7
57.03453	31.8
59.01385	22.8
61.98836	5.5
68.89879	0.9
71.01390	10.0
71.31697	0.8
71.32092	0.9
73.02950	4.3
75.00919	0.8
78.95908	1.3
81.03459	2.8
83.01365	1.8
83.05032	8.6
85.02957	1.8
88.98806	1.4
89.02457	1.7
91.78146	0.8
97.02946	1.4
97.06559	0.9
98.03728	0.8
99.04526	29.9
101.02451	14.0
109.02893	0.9
109.06606	1.9
113.02457	3.9
119.03493	1.1
123.04547	1.5
123.08160	1.9
125.02459	36.8
126.02801	1.4
138.05429	0.8
141.05501	1.0
143.03491	2.6
161.04570	6.3
171.10240	2.3
179.05721	1.2
179.78853	0.8
196.61795	0.9
203.05583	2.3
207.10335	1.4
209.11865	4.1
225.11282	1.1
291.19800	2.6
305.08768	14.3
306.09207	1.2
307.19107	1.8
323.09845	1.9
341.17493	2.3
385.22415	0.9
439.32214	13.0
440.32513	3.1
465.30066	1.1
467.31790	4.9
468.31851	1.6
483.31180	100.0
484.31573	22.8
497.32877	4.4
498.33032	1.0
525.32153	7.5
526.32599	1.3
621.58569	1.0
645.37146	1.5
789.40955	8.1
790.41248	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	34.9
59.01096	0.7
59.01385	8.8
61.98840	4.3
69.08499	6.7
71.01386	5.2
72.99310	1.1
73.02935	2.8
75.16457	0.7
75.64023	0.6
81.03448	2.3
83.01401	1.3
85.02943	1.4
89.02450	1.0
97.02987	0.8
99.04525	33.1
100.04856	1.4
101.02445	14.1
101.87530	0.6
113.02450	1.4
123.04519	2.6
125.02458	37.5
126.02774	1.8
143.03499	2.5
159.03047	0.7
161.04556	2.8
174.01796	0.7
193.00082	0.7
203.05725	1.0
209.11839	0.7
235.17192	0.9
243.08574	0.8
269.19089	0.7
291.19711	1.6
292.19916	0.9
305.08804	7.4
439.32196	29.7
440.32504	7.4
453.33902	3.0
481.33267	1.3
483.31183	100.0
484.31534	19.2
497.32492	1.6
525.32245	3.0
526.32538	0.7
534.66602	0.6
553.63293	0.7
645.36389	1.2
646.36536	0.9
660.18146	0.7
789.40558	8.2
790.40466	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42432	2.5
57.03452	6.0
59.01368	5.1
61.98828	27.7
62.71523	2.7
63.96264	3.9
70.55602	3.6
70.55946	5.9
71.01409	12.8
73.02954	3.3
78.95901	6.4
78.98602	9.4
79.95737	23.5
80.96524	100.0
85.02951	3.2
87.00877	5.5
94.98081	24.3
96.96037	11.5
98.01427	2.5
99.04552	5.5
101.02451	8.6
106.98121	3.6
107.69724	2.3
114.44784	2.7
122.97583	4.6
125.02448	10.6
126.72628	2.5
130.07173	2.4
134.97580	9.1
148.99171	10.7
152.98679	8.0
164.98650	18.1
201.21487	2.8
206.99722	4.4
225.00771	28.1
279.23352	4.0
313.14645	2.6
386.56430	3.0
469.95612	2.7
483.34772	15.1
484.35565	3.1
509.17200	3.2
605.37585	2.8
789.41064	97.8
790.41339	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	33.1
58.41825	0.5
59.01089	1.0
59.01382	16.8
61.98822	2.5
71.01385	6.1
71.32473	0.8
73.02944	4.6
79.05532	0.7
81.03474	3.0
83.01376	2.2
83.05032	3.0
85.02953	1.8
88.98812	0.8
97.06593	1.0
99.04529	32.9
100.04860	1.6
101.02455	15.1
106.41891	0.6
113.02454	2.6
122.03699	0.6
122.53813	0.5
123.04523	2.6
123.08171	0.9
125.02459	41.9
126.02785	1.5
143.03505	1.8
161.04533	3.7
171.10257	0.7
203.05621	1.7
209.11810	1.4
305.08798	8.7
310.02673	0.6
323.09818	1.2
439.32217	3.8
467.31583	2.2
483.31201	100.0
484.31537	20.8
497.32742	7.3
498.33185	1.6
507.31149	0.7
525.32330	6.6
526.32617	1.1
645.36304	1.0
712.71252	0.6
745.41461	1.0
789.41150	4.1
790.40143	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57335	2.4
59.01384	16.0
59.30096	2.8
61.98843	26.4
68.99575	45.7
71.01383	52.2
73.02951	6.4
78.95905	2.8
80.91680	4.4
82.95402	2.8
83.05039	6.8
85.02957	8.8
89.02439	11.9
95.05039	5.8
96.96033	9.4
97.06595	6.7
99.92560	4.6
101.02449	12.2
109.06596	8.2
112.98583	41.9
113.02443	6.9
116.92875	22.3
117.29483	3.3
124.14235	2.7
125.02454	6.0
125.09704	4.3
131.33501	3.1
154.91437	2.6
161.04562	6.3
163.11324	12.7
171.10297	76.9
181.12357	4.4
185.11896	6.1
189.09148	3.6
197.11781	5.6
201.11383	25.5
207.10251	22.3
209.11844	100.0
210.12178	5.2
211.13457	21.8
225.11333	44.9
226.11771	4.7
227.12930	10.2
229.14476	16.0
235.08279	10.3
253.09302	29.2
291.19711	7.1
309.20731	8.3
327.21783	98.3
327.25671	5.4
328.22186	11.2
461.20361	3.9
563.30768	3.0
771.41150	5.7
789.42816	9.6
790.42212	3.6
801.94159	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
57.11366	0.5
59.01388	1.3
61.98827	0.7
69.62556	3.0
70.49337	0.4
71.01387	11.8
71.01755	0.9
72.86661	0.4
82.95423	1.6
89.02496	0.5
96.95957	0.5
98.22490	0.9
99.92616	0.6
105.14877	0.5
116.92876	3.3
125.02494	0.7
125.09770	0.5
127.07638	1.2
145.54167	0.5
148.05284	0.9
151.07629	0.6
163.11476	0.6
164.08487	0.7
171.10245	2.8
177.09210	3.7
192.11591	7.2
193.12016	1.1
197.11842	1.1
201.11375	1.7
205.12305	4.4
207.10287	0.8
207.13907	1.7
209.11850	5.0
210.12177	0.7
218.09477	2.6
220.14697	43.9
221.15474	100.0
222.15787	7.5
227.12904	0.5
235.13399	2.0
236.10555	88.6
237.10934	7.9
243.34598	0.6
253.09322	1.4
273.69916	0.5
289.07098	0.5
289.18082	0.9
291.19696	0.8
293.17618	63.0
294.17932	6.4
307.19159	0.6
309.20691	1.5
343.24863	1.0
366.07336	0.5
433.81253	0.5
483.31143	1.7
581.13239	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.1
59.01383	0.5
61.98824	0.2
71.01382	0.4
71.32294	0.2
72.01736	0.1
73.02952	2.8
75.00880	1.4
84.95126	0.2
85.00446	0.5
85.03001	0.1
87.00896	0.2
99.00884	1.4
99.92592	10.6
100.92603	0.8
101.02463	0.1
107.84879	0.1
114.93410	0.4
115.00394	0.4
116.92872	100.0
117.01946	4.9
117.92880	5.7
125.02458	0.3
137.02449	0.3
165.01889	0.7
171.10254	0.2
174.26628	0.1
180.04344	0.4
195.06641	0.8
197.11751	0.1
201.11302	0.2
209.11856	2.1
210.12215	0.3
211.13400	0.2
217.10913	0.2
225.07652	0.9
225.17819	0.1
227.12891	0.3
253.09401	0.3
271.06686	0.1
289.07407	0.1
327.21848	0.4
394.19199	0.2
706.52386	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	63.8
62.96412	2.8
63.29266	1.7
69.96521	1.5
71.01367	3.1
78.95909	100.0
79.95736	2.0
80.96528	18.1
82.95402	1.4
85.02914	1.4
89.17852	1.6
94.98087	4.2
96.96973	5.6
99.92605	10.2
103.12920	1.4
109.06593	2.4
115.92088	22.4
116.52242	1.4
116.92112	2.6
116.92875	18.8
120.96965	2.0
123.15374	1.5
125.02488	2.2
150.98059	2.0
152.99612	32.0
163.89749	2.8
168.01651	1.5
171.00755	1.8
172.95471	3.2
175.97992	1.5
178.88454	3.7
179.89232	33.0
180.90094	10.8
181.90865	2.1
194.88022	1.7
195.00616	3.8
196.89494	34.4
197.89462	2.0
205.90753	2.0
207.10408	2.2
209.11797	7.2
211.13405	1.7
225.00839	5.2
228.75551	1.6
235.91763	4.8
236.92621	7.4
252.92223	3.1
253.21767	2.1
373.01544	2.2
389.01035	2.9
428.03159	4.0
453.15170	2.6
501.06583	3.3
519.07214	6.5
555.25684	4.5
641.89362	1.9
661.49768	1.7
755.28424	13.1
756.28882	7.1
791.30493	34.0
791.43304	15.0
792.30756	9.5
792.43866	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	31.2
59.01374	15.1
59.61426	3.1
61.98825	9.7
70.61017	6.7
70.61362	4.9
71.01385	9.6
73.02960	3.6
85.03002	5.9
87.70037	3.3
89.02445	4.6
99.04529	26.2
100.68864	2.8
101.02481	11.9
106.61575	3.1
111.08188	3.6
113.16348	3.5
118.93050	2.9
125.02474	28.7
133.68997	3.7
138.58025	3.1
195.10712	3.7
197.11835	19.7
209.11841	79.5
209.13771	5.5
210.12195	9.4
211.13385	2.9
225.11290	3.6
227.12938	19.3
235.08270	6.6
244.27264	3.3
253.09299	20.0
291.19656	10.7
305.08737	7.5
309.20758	48.8
310.21249	6.4
441.33838	5.5
445.20584	5.1
467.31735	8.6
484.31564	3.5
485.32767	100.0
486.32996	21.7
499.34384	3.6
527.34204	4.8
615.93213	3.5
791.40143	26.1
792.40930	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	39.3
59.01381	22.0
61.98823	2.7
67.28770	0.9
70.87709	1.0
71.01386	13.0
71.32207	1.9
73.02962	6.9
76.35396	0.9
79.05503	1.1
79.36990	0.9
81.03448	3.6
83.01400	3.5
83.05042	2.1
85.00441	1.4
85.02964	4.3
85.06573	1.4
89.02449	4.2
97.02916	1.9
97.06617	1.7
99.04527	100.0
100.04860	2.5
101.02450	20.5
108.64878	1.0
113.02450	6.0
113.06096	2.4
119.03539	1.5
123.04550	11.0
125.02460	44.3
126.02798	1.6
141.05582	11.9
143.03531	4.3
153.05702	1.1
161.04553	15.3
163.11154	1.1
179.05591	2.7
197.11841	2.6
203.05624	1.0
209.11836	31.3
227.12859	6.8
233.06607	1.7
235.08249	3.3
251.16530	1.5
253.09270	5.9
263.07620	2.5
291.19690	4.4
305.08768	8.9
309.20740	15.2
310.21100	1.6
323.09827	11.8
323.89810	1.0
333.09558	1.0
385.27759	1.7
405.32016	1.4
406.26849	1.1
423.32642	8.6
424.32843	1.7
445.20782	1.4
467.31931	8.8
481.33246	1.8
485.32761	60.3
486.33115	14.4
527.33856	3.2
747.43536	2.0
791.41571	19.1
792.40912	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00308	2.4
57.03455	29.3
58.00587	2.6
59.01371	21.4
59.85110	2.6
61.98844	15.6
69.10037	22.5
71.01364	12.8
73.02944	7.6
77.85684	2.7
83.01369	2.6
83.05026	3.6
84.91026	2.5
85.02940	3.9
99.04533	61.5
101.02457	14.8
111.08160	3.3
113.02448	6.5
116.92867	7.9
123.04523	6.8
125.02474	34.0
127.04034	4.0
141.05560	6.2
143.03479	3.4
161.04587	7.8
161.69319	3.0
165.12747	3.0
171.10257	3.8
190.23293	2.5
197.11768	10.9
209.11850	100.0
210.12149	6.7
214.51350	2.6
227.12848	21.8
235.08261	7.6
251.16614	2.9
253.09291	11.1
263.70807	2.6
291.19650	9.9
305.08725	5.5
309.20782	41.5
310.21048	6.3
310.99829	3.0
323.09991	6.4
369.50052	2.9
423.32971	4.8
445.20749	7.4
467.31577	6.8
485.32733	44.3
486.32916	7.9
791.40277	25.7
792.40411	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	17.1
61.98834	63.3
69.12447	61.3
70.34889	6.9
71.07961	7.2
71.26075	6.8
83.05048	7.1
87.00873	6.8
98.21766	14.7
99.04542	8.7
142.64992	7.8
156.40958	7.1
171.10298	17.6
199.09731	15.0
205.08714	13.7
216.41588	7.7
223.09738	31.8
241.10231	7.2
255.97937	7.7
277.21756	100.0
278.21902	10.9
311.16800	8.2
394.62683	8.1
416.35577	8.1
452.62039	10.2
695.40271	11.6
719.40009	22.1
737.41064	20.3
738.41956	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.6
59.01386	12.3
61.98831	4.1
71.01379	17.2
77.39914	1.3
78.48820	1.3
78.95889	1.5
81.03444	1.4
83.01411	1.5
83.05040	2.6
85.02943	2.2
87.00899	2.1
89.02451	4.3
97.02962	4.7
98.22601	3.5
99.00893	2.1
99.04549	2.2
101.02458	5.5
102.71169	1.3
109.06598	19.7
111.08136	1.7
113.02459	3.0
117.17558	1.2
123.04576	1.4
125.02435	5.2
135.08154	2.9
136.08650	1.2
136.74409	1.2
142.02731	1.4
161.04562	3.1
161.09863	1.6
163.11285	10.6
171.10275	4.4
179.05518	1.5
181.12341	2.1
195.13879	10.1
207.10271	55.4
208.10548	3.4
209.11844	26.7
210.12228	2.3
223.13338	6.7
225.11327	29.8
226.11719	2.0
227.12912	6.4
235.08247	5.0
252.38869	1.7
253.09297	24.7
274.41229	1.4
275.20145	9.1
291.19693	29.8
292.20007	3.4
293.21243	100.0
294.21576	12.5
298.89154	1.5
443.19315	2.4
461.20349	7.9
485.32764	7.5
737.41089	13.8
738.41980	8.7
770.28070	1.9
791.40454	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	20.4
58.03764	0.5
59.01381	7.3
60.86406	0.5
69.32615	3.0
69.33030	1.3
70.75723	0.5
70.86530	0.5
71.01371	2.0
73.02958	0.9
73.65174	0.6
79.84709	0.5
81.03445	2.7
85.02951	1.6
87.34604	0.6
89.76876	0.5
99.04529	30.7
101.02460	6.7
108.73680	0.5
113.02450	1.6
125.02457	51.8
126.02772	2.0
143.03578	3.0
161.04553	2.0
203.05559	0.9
209.11975	0.7
216.94464	0.5
302.75394	0.7
305.08829	4.9
306.09000	0.5
307.19547	0.6
326.52499	0.5
423.32858	3.5
424.32895	0.7
441.33762	1.6
467.31760	1.5
485.32733	100.0
486.33063	21.9
499.34460	1.7
527.33691	3.0
647.38281	2.2
648.38153	1.0
747.43488	1.3
791.42267	4.2
792.42834	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	25.0
59.01381	10.0
61.98823	2.4
69.11474	6.0
71.01370	2.9
73.02935	2.0
81.03457	1.5
83.01362	0.8
85.02940	1.3
87.41579	0.8
92.33649	0.7
98.22545	1.5
99.04520	17.5
100.89986	0.7
101.02464	8.2
113.02457	1.8
119.03539	0.8
120.66874	0.6
123.04531	1.1
125.02454	17.4
126.02776	0.7
132.85295	0.8
143.03467	0.9
161.04552	3.0
195.85548	0.6
197.11884	1.1
200.83508	0.7
202.63425	0.7
203.05579	1.4
209.11856	2.1
213.03575	0.7
227.12839	1.2
305.08771	14.1
306.09283	0.9
309.20749	2.1
423.32562	4.8
424.33170	1.2
441.33777	15.7
442.34070	2.9
455.31674	2.2
467.31607	5.7
468.32288	1.2
484.31940	1.0
485.32736	100.0
486.33133	18.6
486.40164	1.1
499.33899	1.3
527.33948	2.9
647.38159	9.9
648.38226	2.5
689.39172	3.1
791.42340	9.3
792.42126	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	29.6
59.01387	8.7
67.01800	0.7
71.01385	3.4
73.02946	3.1
81.03448	2.3
85.03001	0.9
88.72081	0.8
91.25833	0.7
98.21815	2.2
99.04523	19.9
99.05123	1.5
101.02457	8.2
123.04466	1.2
123.32004	0.8
125.02458	34.1
126.02853	0.8
128.21127	0.8
143.03569	1.8
146.24860	0.8
161.04530	1.4
305.08685	4.5
423.32660	4.9
424.32968	1.0
441.33755	2.2
467.32007	2.0
485.32751	100.0
486.33160	19.0
499.34296	1.5
527.33710	3.0
528.33539	0.9
647.37415	1.9
747.43280	1.3
791.42413	6.6
792.42889	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.423
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	30.8
59.01385	14.3
61.98825	4.3
69.03458	1.6
71.01381	6.5
73.02950	5.0
78.57108	0.9
80.78996	0.9
81.03458	2.2
83.01369	2.0
83.05006	1.5
85.02956	13.3
85.06587	1.6
89.02432	1.6
99.04530	32.8
101.00454	1.0
101.02462	11.7
111.08276	1.2
113.02466	3.1
123.04537	2.9
125.02466	38.8
127.04016	1.6
143.03551	2.5
161.04587	4.1
171.10304	1.0
197.11852	3.1
203.05617	1.3
209.11868	8.3
227.12973	1.9
253.09276	2.2
291.19528	1.5
305.08798	12.1
306.09351	1.2
309.20758	6.4
314.46494	0.9
338.06088	1.1
371.17548	1.1
381.28027	1.2
399.29413	1.6
439.32175	1.5
441.33823	4.9
443.44827	1.4
451.00385	1.1
453.33908	1.2
455.31625	2.3
456.32513	1.1
467.31754	3.8
468.31592	1.0
481.32959	2.8
485.32755	100.0
486.33041	18.1
499.34521	1.4
502.94037	1.0
527.33728	5.0
782.79480	1.1
791.41718	10.0
792.42249	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95905	0.8
57.03453	32.1
59.01383	13.1
59.70140	0.9
69.71725	3.4
71.01391	4.8
73.02944	1.7
81.03453	1.6
83.01385	1.4
85.02959	2.5
99.04528	18.4
101.02459	10.6
125.02458	14.7
131.50562	0.9
134.89539	1.8
143.03503	2.1
161.04596	3.0
203.05635	3.2
209.11803	5.6
227.12910	1.8
253.09290	1.4
266.40445	0.8
277.78860	0.9
291.19632	1.3
305.08823	27.8
306.09113	1.6
309.20792	4.4
371.12820	0.9
423.32715	14.2
424.32990	2.5
441.27728	1.3
441.33777	23.1
442.33994	3.3
449.30954	1.1
467.31558	6.1
468.32178	1.0
485.32767	100.0
486.33124	18.2
486.78601	1.0
527.33807	1.3
545.52039	0.9
647.38269	8.6
648.38037	1.3
689.38904	3.4
690.39447	1.1
791.42163	16.9
792.42694	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	41.1
57.73960	0.8
59.01381	20.3
61.98825	2.9
64.10500	0.8
69.03460	2.5
71.01385	10.8
71.31639	0.9
71.32040	1.2
73.02947	8.8
81.03458	3.8
83.01405	2.8
83.05037	1.6
85.00430	0.9
85.02958	16.9
85.06569	1.2
89.02476	1.4
92.20779	1.0
96.96028	0.9
97.02995	1.1
99.04528	49.3
100.04884	1.9
101.02446	23.8
109.02924	1.3
113.02477	3.7
113.06138	1.2
116.92890	1.8
119.03505	0.8
123.04575	4.5
125.02457	49.2
126.02769	2.5
127.04018	3.7
141.05550	1.2
143.03549	4.1
161.04538	7.0
169.55975	1.0
203.05591	2.5
209.11847	17.8
210.12169	1.1
221.15494	3.3
225.11562	1.0
227.12933	3.7
235.08313	1.6
236.10561	1.3
251.81432	0.9
253.09447	4.1
291.19678	1.8
293.17587	1.7
305.08823	13.2
309.20709	7.5
319.43430	0.9
323.09799	1.0
398.72104	0.9
399.28949	4.8
439.32397	1.2
441.33810	3.2
445.20911	1.8
453.33667	1.1
467.31702	9.9
468.31628	1.5
479.38239	1.0
481.33295	8.3
482.33862	1.1
485.32748	100.0
486.33130	18.6
499.34286	3.0
527.34045	5.7
528.34161	1.0
646.42383	0.9
703.57404	1.1
747.43225	1.8
791.41351	13.1
792.42084	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11412	1.7
57.03177	2.9
57.03453	42.0
59.01381	30.9
61.98834	28.0
69.01786	4.0
69.02184	17.4
71.01381	6.3
73.02962	2.5
78.95908	3.2
79.72494	1.6
81.43298	1.6
83.01345	2.2
83.72260	1.9
85.02967	2.5
85.81883	1.4
98.21877	3.3
99.04527	33.8
101.02450	14.5
109.88342	1.5
113.02470	2.1
122.06969	1.5
125.02475	22.2
143.03484	3.7
151.03993	2.2
161.04605	13.1
172.41721	1.7
180.57350	1.8
203.05623	5.6
206.76778	1.7
213.98102	1.7
222.49686	1.6
225.11211	2.7
291.19647	1.8
305.08786	59.8
306.09140	4.8
380.36810	1.6
441.33673	23.9
442.34125	4.9
467.31586	2.9
485.32748	100.0
486.33047	18.6
647.38141	3.6
690.42523	2.0
791.42120	12.1
792.42261	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	42.8
59.01383	27.2
61.98524	0.8
61.98833	11.1
64.20006	0.6
71.01394	8.0
71.04991	0.8
73.02955	3.2
78.95893	1.3
80.91683	0.7
81.03459	1.3
83.01398	1.0
85.02939	2.6
85.06596	0.8
89.02450	0.9
93.40822	0.7
97.06573	2.0
99.04529	27.8
99.32947	0.5
100.04835	1.1
100.22473	0.7
101.02444	12.1
113.02431	2.3
116.92854	1.0
117.05611	0.8
118.42642	0.6
120.15115	0.6
123.04496	1.4
125.02459	23.6
143.03513	3.9
152.99638	0.7
161.04593	6.9
169.53992	0.6
179.56438	0.6
203.05638	6.3
205.08691	0.9
223.09828	1.1
231.92363	0.6
243.08701	1.7
266.75983	0.9
277.21768	1.5
279.08212	0.6
305.08801	62.6
306.09146	4.1
413.30582	1.8
423.32642	5.0
424.33145	1.1
439.32431	1.5
441.33780	27.2
442.34036	5.0
467.31604	9.4
468.32031	1.8
485.32739	100.0
486.33041	16.9
527.33850	1.5
528.34875	0.8
647.37994	7.6
648.38202	2.2
689.39264	2.0
690.38605	0.8
720.40796	0.8
791.42041	8.0
792.42389	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03188	1.8
57.03455	27.4
59.01389	13.0
60.99310	2.1
61.98833	8.8
67.81777	1.0
69.03477	0.9
69.23018	6.6
71.01382	8.0
73.02956	5.1
81.03452	2.8
83.01380	2.2
85.00452	1.7
85.02959	1.3
88.98810	10.5
89.02446	1.7
91.04094	0.9
99.04530	32.8
99.92581	1.6
101.02444	16.2
113.02451	2.8
116.92879	12.9
117.92898	1.8
123.04528	4.5
124.04918	1.1
125.02452	40.5
126.02831	1.0
141.05615	1.6
143.03458	2.2
161.04665	1.5
171.10355	1.2
176.99397	0.9
203.05589	1.4
204.50171	1.0
206.71658	1.1
209.11844	13.0
210.12177	1.9
227.12871	3.2
235.08243	1.9
251.16458	2.1
253.09258	1.2
289.18097	4.0
291.19476	1.6
305.08859	7.6
309.20776	5.1
397.68771	1.0
406.21698	1.1
423.32678	3.8
424.32736	1.7
441.33789	1.8
485.32761	100.0
486.33203	20.1
499.34174	10.6
509.32535	1.4
527.33960	8.4
528.34082	1.3
747.43335	2.3
791.41833	9.7
792.42395	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	45.1
58.03780	1.4
59.01384	33.9
61.98839	24.4
69.03465	1.7
71.01385	18.7
71.32275	2.4
72.99300	1.3
73.02953	10.2
81.03447	3.5
83.01395	4.3
83.05063	2.1
84.02183	1.4
85.02959	11.3
87.00861	1.9
89.02460	4.5
99.04524	51.1
99.92597	1.9
100.04868	2.1
101.02452	26.6
113.02461	5.8
116.92882	14.5
119.03498	2.6
123.04498	7.9
125.01539	2.8
125.02459	52.2
131.03526	1.8
141.05598	1.6
143.03499	5.1
151.04051	2.6
161.04591	17.0
171.10301	4.1
179.05658	5.0
193.87227	1.4
203.05624	3.4
209.11818	19.0
210.12193	2.5
211.13454	9.8
221.15518	2.9
227.12895	5.9
253.09338	2.6
263.07651	4.4
289.07355	1.6
289.18146	3.0
291.19696	9.9
292.20001	2.3
305.08762	18.1
309.20508	4.1
314.16141	1.5
323.09851	14.0
323.15939	1.5
423.32916	11.8
424.33014	2.3
441.33844	4.2
467.31494	6.9
481.33368	3.2
485.32779	100.0
486.33099	22.6
499.34448	3.0
527.33752	5.3
647.38123	5.2
666.67334	1.6
791.41101	15.5
792.42047	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
59.01381	1.4
60.84534	1.4
65.14812	1.3
69.10224	12.5
71.01385	9.0
73.02916	2.0
78.95908	21.4
78.98584	5.9
79.95742	16.8
80.96523	85.2
83.05032	2.0
85.02943	6.0
87.00864	3.0
94.98093	20.5
94.98679	1.9
97.03019	1.9
98.22540	2.8
99.00909	1.4
101.02396	1.4
106.98067	4.5
113.06099	1.5
122.97565	4.2
125.02435	4.1
134.97563	5.4
136.99126	1.6
148.99153	5.2
152.98573	5.1
152.99580	23.6
161.71419	1.5
164.98633	14.0
171.10318	7.4
183.13939	1.9
196.89516	1.9
206.99678	2.1
209.11783	3.1
211.13383	6.0
225.00761	21.0
227.03375	2.1
229.14561	2.9
253.21680	5.6
327.21771	10.5
423.52011	1.6
463.21182	1.7
537.24969	2.1
539.65771	1.6
555.25684	24.7
556.25494	2.6
565.35083	1.8
791.42737	100.0
792.42908	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63435	0.6
57.03450	25.6
59.01094	0.7
59.01384	12.0
61.98812	1.6
69.03452	0.8
69.08283	1.6
69.08703	4.0
71.01385	3.9
71.05034	4.8
73.02954	3.0
81.03463	2.1
83.01384	1.0
85.02935	1.5
85.06573	0.9
99.04532	26.7
100.04843	0.7
101.01823	0.8
101.02448	10.9
107.66100	0.5
113.02435	2.5
113.06078	0.6
116.92861	1.3
123.04527	2.0
125.02454	35.6
126.02802	0.7
141.05559	0.6
143.03493	2.6
161.04524	3.2
185.82478	0.5
199.14024	0.6
202.03729	0.6
203.05627	1.8
209.11890	2.8
227.12833	0.9
227.30836	0.7
247.95227	0.5
250.09106	0.6
291.19733	1.0
305.08813	14.7
306.09195	1.0
309.20709	2.3
356.84531	0.6
383.29507	1.4
423.32623	1.7
441.33746	12.4
442.34085	2.6
453.33545	0.7
467.31717	0.8
481.33234	1.0
485.32748	100.0
486.33081	18.0
499.34424	1.9
527.34033	3.8
528.33978	0.9
545.29492	0.9
647.37830	1.9
747.42090	0.6
791.42322	8.6
792.43311	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	62.5
69.13921	45.9
78.36507	6.6
78.95897	8.6
89.78966	6.1
96.26743	6.8
133.27112	5.9
186.96912	6.8
209.11880	100.0
227.12790	10.9
253.09273	10.2
277.21713	46.8
322.57910	7.4
326.11633	6.9
369.14151	6.8
445.20593	10.2
791.41376	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	53.6
64.28872	22.1
69.14566	100.0
69.14989	92.3
78.95911	25.0
81.32066	18.7
85.26246	20.1
85.41763	22.1
114.75184	22.7
135.17976	26.1
188.42702	22.2
405.94104	26.7
420.85428	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94641	0.8
59.01385	7.3
65.70218	0.9
66.56864	0.9
71.01382	7.2
71.31860	1.5
73.02952	2.2
83.01398	1.1
85.02956	3.9
87.67053	0.9
89.02446	2.9
95.01395	1.2
100.03561	0.8
101.02473	6.7
113.02435	3.0
119.03551	1.2
125.02486	1.7
135.00839	1.2
141.10687	0.9
153.02008	1.4
159.04553	1.7
159.49403	1.1
176.36145	1.0
185.05974	2.0
186.93085	1.1
187.04008	1.8
199.13402	4.3
211.04053	1.6
227.03505	35.2
228.03856	3.7
229.05054	6.5
239.03558	1.1
255.02988	52.0
256.03589	8.5
257.04672	3.7
284.03281	63.5
285.04025	69.9
286.04425	6.6
289.07303	2.0
339.15024	1.1
343.17767	1.1
361.18695	100.0
362.19070	12.2
431.09842	97.5
432.10175	12.4
740.98633	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.38568	0.4
60.01719	1.2
61.98843	1.3
62.58687	0.4
65.41561	0.4
65.63495	0.4
66.71722	0.4
71.01368	2.4
75.00892	1.5
78.68610	0.4
85.00429	0.6
87.00894	0.9
88.98820	0.5
94.92481	0.4
96.96027	0.7
103.00459	10.7
103.01502	62.3
104.01846	0.6
109.18018	0.6
116.92851	2.6
125.02443	0.7
171.10315	0.8
207.10219	1.0
209.11790	4.0
225.11292	0.8
227.12943	0.7
385.98621	0.4
502.81223	0.5
645.33606	0.5
699.27350	0.6
703.84344	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.9
61.98834	27.9
66.52525	0.9
68.71206	0.8
69.52638	5.9
69.53275	0.7
71.01382	4.9
82.01295	0.9
84.69928	0.9
85.02962	0.9
89.02457	2.2
99.04543	1.0
101.02464	3.5
109.06602	1.1
109.81446	0.8
113.02441	1.6
113.43887	0.9
125.02447	1.7
142.38069	0.8
145.05093	1.2
161.04620	1.2
163.11310	1.9
171.10280	69.8
172.10643	4.5
173.24449	0.8
185.11852	0.9
189.09273	1.8
197.11887	1.4
199.09911	1.3
201.11348	4.1
207.10266	7.7
223.13388	1.7
225.11330	32.8
226.11603	2.3
235.08218	10.9
253.09285	11.9
277.21744	100.0
278.22098	11.6
289.07349	0.9
293.21039	1.4
407.19391	2.1
443.19229	5.8
461.20404	4.1
513.30737	4.0
514.31531	0.9
615.47095	1.0
695.40503	1.9
721.42157	7.2
722.42004	2.4
775.40027	2.8
793.41553	1.3
803.24896	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56644	1.4
59.01382	16.3
61.98835	23.0
62.25714	1.5
71.01393	24.4
73.02966	2.4
78.95918	2.1
85.02967	1.9
87.00903	1.9
89.02459	4.6
92.46306	1.6
97.02952	2.1
98.21823	4.6
101.02460	7.9
109.06593	4.9
113.02447	3.7
125.09747	2.7
155.10823	1.5
161.04559	3.8
163.11256	3.8
171.10284	28.0
179.10873	1.6
181.08743	3.0
181.12425	4.5
199.09773	26.5
199.13451	5.6
201.11333	33.1
207.10246	18.4
223.13518	4.7
225.11327	27.0
226.11679	1.8
235.08192	10.4
243.12347	4.5
253.09277	17.6
277.21753	100.0
278.22046	11.0
311.16879	2.8
435.18863	3.7
443.19165	1.9
461.20227	6.5
513.30511	2.5
695.40125	3.4
721.41565	7.2
722.42017	2.3
739.42719	4.8
757.43823	8.4
758.44061	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37886	0.7
57.03188	1.6
57.03452	25.0
59.01391	6.5
61.98833	5.8
69.43623	0.7
69.72017	1.4
69.72421	3.8
71.01378	2.8
80.45616	0.7
81.03452	1.6
83.01395	1.2
85.02973	1.0
89.41880	0.7
99.04510	7.2
101.02451	4.2
102.43575	0.8
109.02934	1.7
113.02462	1.4
119.96003	0.9
123.04520	3.8
125.02454	20.2
125.36983	0.7
126.02846	1.1
133.02931	1.0
135.04485	0.8
137.02454	2.6
143.03517	1.1
150.03200	0.8
151.04036	5.3
161.02455	3.2
161.04550	2.2
161.65939	0.7
164.01123	1.3
165.01935	1.2
169.83957	0.8
175.03932	1.1
203.07242	1.0
209.11853	4.2
223.13457	0.7
225.11290	1.4
227.12807	1.0
245.08206	1.1
279.61826	0.8
287.05515	1.1
289.07190	6.1
290.07474	1.0
291.19702	2.2
305.08810	9.0
306.09073	1.0
383.33139	0.9
385.30826	1.1
395.41229	0.8
407.07739	1.6
425.34247	1.5
443.29648	1.6
443.35318	21.2
444.35489	3.7
448.32733	0.8
469.33377	6.7
470.33667	1.5
486.32721	1.2
487.34317	100.0
488.34662	20.2
529.04102	0.9
529.35278	1.4
649.39679	20.4
650.39789	5.7
691.40808	5.5
692.41083	1.2
762.69061	0.8
793.43573	5.3
794.43964	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37886	0.7
57.03188	1.6
57.03452	25.0
59.01391	6.5
61.98833	5.8
69.43623	0.7
69.72017	1.4
69.72421	3.8
71.01378	2.8
80.45616	0.7
81.03452	1.6
83.01395	1.2
85.02973	1.0
89.41880	0.7
99.04510	7.2
101.02451	4.2
102.43575	0.8
109.02934	1.7
113.02462	1.4
119.96003	0.9
123.04520	3.8
125.02454	20.2
125.36983	0.7
126.02846	1.1
133.02931	1.0
135.04485	0.8
137.02454	2.6
143.03517	1.1
150.03200	0.8
151.04036	5.3
161.02455	3.2
161.04550	2.2
161.65939	0.7
164.01123	1.3
165.01935	1.2
169.83957	0.8
175.03932	1.1
203.07242	1.0
209.11853	4.2
223.13457	0.7
225.11290	1.4
227.12807	1.0
245.08206	1.1
279.61826	0.8
287.05515	1.1
289.07190	6.1
290.07474	1.0
291.19702	2.2
305.08810	9.0
306.09073	1.0
383.33139	0.9
385.30826	1.1
395.41229	0.8
407.07739	1.6
425.34247	1.5
443.29648	1.6
443.35318	21.2
444.35489	3.7
448.32733	0.8
469.33377	6.7
470.33667	1.5
486.32721	1.2
487.34317	100.0
488.34662	20.2
529.04102	0.9
529.35278	1.4
649.39679	20.4
650.39789	5.7
691.40808	5.5
692.41083	1.2
762.69061	0.8
793.43573	5.3
794.43964	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	32.7
59.01382	13.0
61.98823	4.8
69.51563	23.7
98.21799	4.1
99.04539	11.3
99.92604	11.7
101.02459	6.6
107.31975	3.8
116.92871	90.5
116.97271	10.7
117.92853	5.8
125.02431	17.3
145.74809	4.4
146.97214	4.1
149.67401	4.1
305.08676	20.5
401.66617	4.6
443.35126	25.7
444.35431	5.8
469.32913	5.2
487.34381	100.0
488.34506	18.6
649.39691	11.5
745.40295	4.9
793.43402	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82997	0.5
57.03450	21.8
59.01377	6.8
61.62833	0.5
61.98814	0.6
69.07476	5.5
71.01373	2.1
73.02946	1.2
79.84049	0.5
81.03434	0.5
85.02969	0.9
87.00838	0.5
90.64220	0.6
97.21688	0.5
99.04533	10.4
101.02451	5.5
101.93416	0.5
103.86282	0.5
111.71281	0.5
113.02431	0.9
125.02471	8.5
126.02859	0.5
161.04597	1.4
174.40587	0.6
183.07346	0.7
203.05606	0.8
305.08817	9.4
333.18185	0.6
443.35355	4.3
444.35776	0.8
469.33380	5.3
470.33655	1.0
487.34329	100.0
488.34729	21.1
488.40173	0.4
501.36139	1.3
529.35364	4.9
530.35901	0.9
618.09027	0.6
649.39655	16.4
650.39960	5.2
691.40607	6.8
692.40814	1.6
731.43823	1.5
793.43774	12.9
794.44720	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03193	1.8
57.03455	30.5
57.29480	1.3
59.01387	24.6
61.98836	48.3
69.11516	1.8
69.11917	12.2
71.01389	10.8
72.99341	1.8
73.02961	1.8
77.34607	1.4
85.02977	1.6
89.02451	2.2
96.72251	1.2
98.22532	2.7
99.04526	22.1
101.02452	8.7
113.02442	2.6
116.09087	1.2
125.02456	14.9
133.00879	1.3
143.03516	2.1
161.04593	6.1
171.10286	13.3
172.10666	1.5
199.09767	6.3
199.13585	1.4
201.11313	9.7
202.15077	1.3
203.05569	3.8
207.10309	3.9
225.11328	9.7
253.09311	3.8
271.37555	1.3
277.21750	25.6
278.22205	3.0
305.08826	36.3
306.09082	1.6
397.34900	6.6
425.34360	2.0
441.33945	6.4
442.34229	1.6
443.35464	9.2
444.35568	2.7
461.20413	3.2
462.20349	1.7
469.33389	5.8
470.33875	1.8
479.21201	1.5
487.34320	100.0
488.34644	20.0
529.35297	5.6
649.39740	12.1
650.39990	3.0
691.40723	6.9
692.40796	1.6
721.41968	1.6
731.43726	2.8
739.42474	2.2
757.43658	1.5
793.43878	42.7
794.44324	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.8
59.01378	7.0
61.98835	61.5
64.63376	2.1
69.11258	16.4
71.01372	5.5
72.96663	2.0
78.95885	3.8
79.98083	2.2
81.82653	1.9
89.02478	2.9
101.02470	4.7
109.06573	2.8
111.08186	5.3
125.02463	5.1
143.37502	2.3
149.09700	2.2
161.04533	2.8
169.12363	2.9
195.13904	8.3
197.11853	32.3
198.12195	2.5
205.12354	8.6
207.10287	6.9
209.11815	6.2
210.12193	2.9
211.13487	5.3
223.13419	100.0
224.13782	8.3
225.11378	4.1
227.12926	3.5
227.37297	2.4
235.08252	8.4
235.81270	2.3
253.09335	16.9
291.19751	12.8
293.21222	3.9
295.22791	6.9
309.20743	50.4
310.21094	6.1
319.35962	2.4
459.22375	16.0
460.22919	2.7
545.29816	2.9
751.42188	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53919	2.2
57.03461	3.0
59.01381	8.6
61.98835	100.0
71.01398	5.3
85.03036	2.4
89.02423	2.0
97.02968	3.7
101.02454	4.3
109.06609	2.2
111.08166	4.1
113.45481	2.1
116.92886	2.5
125.02470	5.7
137.02443	2.4
147.60275	2.1
149.17816	2.2
151.03981	4.4
167.10800	2.5
177.02121	2.5
181.12408	2.3
195.13950	7.2
197.11841	22.7
198.12189	2.8
203.96387	2.1
205.12379	8.6
207.10381	5.6
209.11873	4.4
211.13484	3.1
223.13417	76.0
224.13792	5.8
225.11377	3.2
235.08238	7.3
253.09338	12.6
289.06863	2.5
291.19641	9.5
295.22751	3.0
296.22998	3.1
309.20721	39.5
459.22238	9.7
545.30078	3.5
625.97125	2.2
640.70300	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
60.99314	18.7
61.98813	0.3
71.01397	1.8
71.31496	0.4
82.09385	0.2
87.00883	0.8
88.00394	0.3
88.98815	100.0
89.02458	2.3
89.99150	1.2
92.05401	0.3
96.96046	0.3
98.22081	0.4
101.02448	0.5
116.92857	0.5
117.86023	0.2
125.02434	0.3
171.10275	1.0
191.05585	0.4
204.97395	0.2
209.11899	1.1
225.11476	0.4
263.12933	0.4
385.12064	0.3
397.13098	0.4
758.27386	0.3
790.63324	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26899	0.1
57.63895	0.1
59.01365	0.3
70.24699	0.1
71.01386	0.3
71.30525	0.2
73.02957	1.0
75.00881	1.3
89.02483	0.1
98.36879	0.1
99.00898	0.3
99.92593	9.6
100.92600	0.5
108.29973	0.1
111.75868	0.1
114.93470	0.5
115.00407	0.3
115.99908	0.1
116.00760	0.1
116.92873	100.0
117.01952	2.5
117.92883	6.0
123.04478	0.1
125.02515	0.2
129.87689	0.1
149.02441	0.1
152.01126	0.2
167.03506	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.7
61.98820	1.1
69.16564	3.7
71.01373	1.9
73.02941	1.7
73.34513	0.4
74.99094	1.8
81.86379	0.4
83.05016	0.9
85.02953	0.9
85.88171	0.5
87.04514	0.9
88.98806	0.5
89.02459	0.9
96.96035	1.3
97.02953	0.9
101.02434	0.9
113.02448	1.6
119.03529	0.6
120.01257	100.0
121.01601	0.8
125.02415	1.1
129.05577	1.5
161.04539	1.1
162.02327	0.7
179.05588	1.1
179.14456	2.2
179.29268	0.5
191.05627	0.8
195.03268	0.6
282.06625	1.0
361.19846	0.8
389.28714	0.5
392.56570	0.6
417.06479	0.5
423.28763	0.5
433.27383	1.7
451.28616	0.9
469.29611	13.4
470.30109	2.5
508.13959	0.6
513.28595	35.8
514.28918	7.4
634.30609	5.4
635.30664	1.3
796.35797	12.4
797.36401	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	8.9
61.98836	15.0
64.17049	1.5
69.04034	19.8
71.01375	4.9
81.03449	3.4
83.05016	5.8
89.02439	1.9
97.02975	2.0
101.02461	3.6
102.05344	1.7
109.06605	4.9
111.77515	1.9
113.02449	2.4
120.66816	1.9
124.24600	1.6
125.02469	2.5
125.09705	2.3
163.11337	9.7
165.12901	3.2
171.10272	2.0
185.11803	2.0
191.14410	2.1
197.11818	2.6
207.10291	12.2
209.11844	100.0
210.12230	10.5
225.11288	5.5
227.12949	14.4
235.08188	3.0
245.19034	2.2
253.09291	11.4
274.69656	1.9
289.18118	19.3
290.18399	2.2
291.19693	3.1
307.19119	18.1
309.20694	6.1
336.10922	1.9
340.32910	2.1
425.53394	1.9
488.33716	2.1
549.93756	2.0
753.40704	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.41
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
58.78935	0.9
59.01364	1.1
61.98845	4.1
69.07704	5.8
92.98195	0.8
99.04537	1.5
101.02505	0.9
125.02465	2.3
139.03845	1.0
143.13129	0.7
202.48132	0.7
225.03909	1.9
259.78830	0.9
280.76889	0.8
423.32855	4.3
463.32043	1.0
491.31454	100.0
492.31812	21.0
505.33182	5.2
550.35150	0.8
797.41003	17.5
798.41016	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96237	2.1
69.03463	0.9
71.01383	9.7
73.02954	2.3
78.95915	1.2
78.98596	8.1
79.54698	0.9
79.95744	16.5
80.96523	89.2
81.03435	1.1
85.02970	3.1
87.00877	4.0
94.98094	18.8
96.95983	1.6
97.02941	2.2
101.02469	2.3
106.98108	3.8
113.80859	0.8
122.97607	3.7
125.02480	2.7
128.06155	0.9
134.97598	5.9
136.99200	1.5
148.99149	8.4
152.98651	7.6
164.98656	14.0
206.99702	2.8
225.00763	21.4
228.86899	1.5
255.23300	1.6
456.96997	1.0
459.39731	1.0
537.27521	1.9
541.19415	3.1
797.43640	100.0
798.44043	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.4
61.98835	100.0
62.98538	0.2
65.60564	0.1
68.73912	0.1
69.11052	1.2
71.01405	0.2
78.95934	0.3
85.44008	0.1
88.98827	0.4
89.02443	0.2
94.98080	0.2
96.46497	0.1
98.21864	0.4
98.22540	0.3
104.54879	0.1
116.92889	0.3
125.02517	0.2
126.90446	0.5
128.03586	0.4
128.90215	0.5
145.46037	0.1
151.04051	0.1
168.32628	0.1
191.05707	0.2
194.78320	0.2
209.11951	0.3
274.70459	0.1
277.01630	0.1
352.50375	0.2
353.93604	0.1
707.83136	0.1
725.50085	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58663	0.2
61.98837	100.0
69.27380	1.9
69.88779	0.2
73.11220	0.2
98.22549	0.6
112.02345	0.2
133.46851	0.3
196.12134	0.2
218.90125	0.2
576.62531	0.3
595.59076	0.3
735.69708	0.3
775.97974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.2
61.98826	10.4
69.09681	6.9
69.10088	18.6
71.01371	4.4
78.09917	2.4
83.05014	7.3
89.34869	3.1
113.02432	2.7
163.11388	4.9
197.11838	16.9
209.11848	100.0
210.12154	6.5
221.11868	2.9
227.12943	11.1
235.08148	3.8
249.82021	3.7
252.83568	2.7
253.09299	9.0
291.19638	8.7
309.20700	25.2
322.03821	2.8
550.70660	3.3
555.35370	3.5
588.69427	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27365	0.6
57.03447	1.9
59.01389	3.1
59.89701	0.6
61.98827	1.2
70.13589	0.4
71.01385	2.7
71.60645	0.5
73.02976	1.3
74.92440	0.5
78.95926	2.5
80.02666	0.7
80.96510	2.8
81.03476	1.2
83.05045	2.2
86.78819	0.6
87.00911	1.0
89.02443	1.7
96.96942	0.6
99.04535	3.9
101.02460	3.7
102.68199	0.7
113.02446	0.7
125.02419	2.9
129.99196	0.7
143.03481	0.9
145.05049	0.7
161.04533	1.2
163.11320	1.8
165.12779	1.3
191.10742	0.8
201.11366	1.6
209.11844	83.1
210.12181	4.9
214.46877	0.6
225.00735	0.7
227.12917	12.7
228.13286	1.0
235.08237	7.3
241.01250	1.0
253.09277	10.4
255.23468	1.0
274.20935	0.5
277.21738	100.0
278.22092	11.4
365.58215	0.5
445.20877	2.0
453.33694	2.8
454.34003	6.4
455.34204	1.0
513.30481	1.4
546.28198	0.6
572.72839	0.6
641.23163	0.6
657.58344	0.6
709.38763	1.6
760.43750	2.0
781.40765	1.0
798.40851	0.9
799.42084	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.3
61.98844	4.3
71.01370	3.9
72.99301	1.5
75.00896	4.5
78.95912	13.5
79.95737	2.6
80.96528	12.3
81.03448	1.0
83.05046	4.9
85.02974	1.4
87.41570	1.0
94.98097	2.4
96.12543	0.8
96.96970	3.3
97.03007	0.7
101.02444	1.7
116.22987	0.7
122.97581	0.9
127.11335	1.1
152.98549	1.0
152.99594	2.8
155.10805	0.9
163.11256	2.6
164.98598	2.9
165.12837	2.6
171.10204	1.4
201.11336	9.8
208.10641	0.8
209.11848	100.0
210.12181	8.2
225.00792	4.4
227.12933	12.6
228.13245	1.0
235.08205	1.5
241.01273	6.9
253.09290	7.5
255.23351	6.4
270.32831	0.8
277.21747	48.5
278.22067	5.3
355.94482	0.9
445.20773	2.0
496.70654	1.0
667.98370	0.9
709.38232	1.2
755.38538	0.9
781.40887	5.8
798.40698	2.4
799.42041	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.5504
Annotation	Unknow
Peak:m/z	Relative Intensity
63.04827	15.8
63.30468	18.0
63.86783	14.3
67.08305	15.8
70.84097	15.6
85.00445	100.0
90.09861	16.8
92.88575	15.5
153.10059	17.5
279.34399	16.1
383.18402	19.1
652.88739	18.4
693.99695	20.4
726.60651	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.0
61.98824	1.6
63.11186	0.7
63.96256	1.5
71.01388	10.8
73.02953	2.3
78.95901	1.7
78.98600	7.9
79.95746	19.2
80.96524	100.0
81.03434	1.3
82.96114	1.0
84.60977	0.7
85.02967	3.5
87.00851	3.7
94.98098	21.4
96.96033	1.8
97.02974	2.1
99.00908	1.2
101.02456	2.8
101.03056	0.7
103.42671	0.8
106.98098	4.0
112.08410	0.8
122.97630	4.0
125.02485	5.1
134.97594	6.4
136.99155	2.6
142.94267	0.8
148.99153	7.6
152.98645	9.1
152.99706	0.8
164.98651	18.7
167.00146	0.9
171.10329	1.8
178.57091	0.7
206.99759	3.1
225.00764	32.9
225.02992	1.7
229.42340	1.3
241.01199	0.8
255.23291	3.4
296.06320	0.8
453.14340	4.2
454.14594	1.2
502.81506	0.9
537.27393	2.1
709.38409	94.3
710.38770	22.3
737.38757	0.8
781.40607	12.8
782.40955	4.6
799.41614	28.0
800.41504	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4188
Annotation	Planktocyclin
Peak:m/z	Relative Intensity
57.03437	1.3
59.01386	1.1
61.98833	18.8
63.96231	2.6
64.28403	1.1
65.16124	1.1
69.31815	6.8
71.01383	9.3
73.02953	2.3
75.00858	1.1
78.95907	29.8
78.98594	5.9
79.95741	17.0
80.96522	100.0
81.03438	1.4
83.05046	1.5
85.02955	3.0
87.00905	4.1
88.98817	1.5
92.84877	1.2
94.98096	20.7
96.95998	1.7
96.96983	6.5
97.02962	2.1
99.00954	1.4
99.92618	1.2
101.02445	3.3
106.98112	4.6
114.88935	1.1
116.92867	8.6
122.97606	4.4
125.02464	3.8
125.09664	1.2
127.04070	1.3
127.11323	1.2
134.97614	7.5
136.99168	1.9
148.99146	7.1
152.98631	7.3
152.99664	3.9
164.98636	14.8
171.10233	1.7
187.01938	1.1
199.09741	1.1
201.11337	17.9
202.11681	1.4
205.87505	1.2
206.99698	2.9
209.11836	18.9
223.00179	2.0
223.34276	1.1
225.00745	23.5
225.11494	1.3
227.12935	1.2
241.01225	13.7
255.23311	17.3
256.23752	1.9
277.21796	2.4
358.21255	1.2
463.83817	1.3
525.16296	1.8
537.27802	1.7
709.38348	34.4
710.38690	9.8
781.40674	22.7
782.41034	5.8
799.41931	80.5
800.42401	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	4.5
59.01383	0.9
61.98819	1.9
65.63087	0.7
66.59380	0.7
68.59673	0.7
70.02970	0.8
71.30810	1.3
74.02483	11.1
82.02999	1.2
83.63908	0.7
86.02477	3.9
86.99088	1.3
87.05643	2.7
90.00224	1.1
99.05650	8.8
101.07236	1.4
102.05596	1.0
109.04073	1.2
109.69783	0.7
111.05640	1.2
116.01802	1.0
116.92921	0.7
120.01257	0.8
123.05653	1.1
125.02460	1.9
125.03471	0.8
127.05166	2.0
128.03548	23.4
135.05666	3.0
137.02519	0.9
141.06694	1.9
143.04640	35.9
145.06207	1.2
146.04626	3.1
153.06741	1.7
160.00757	9.3
166.09866	1.6
167.04593	2.8
167.08250	1.2
177.03398	3.3
179.04671	7.5
181.06165	1.0
185.05646	1.4
197.05635	1.4
210.08907	7.1
254.07875	8.5
261.91968	0.9
272.08926	13.8
273.09241	1.4
288.06583	5.9
306.07675	100.0
307.08014	7.0
337.54453	0.8
404.85281	0.8
777.39252	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	4.8
58.99606	0.6
61.98831	1.6
69.27139	3.2
70.02964	1.0
72.00915	0.7
74.02473	12.0
81.04561	1.1
82.03010	1.3
84.04549	0.8
86.02483	3.9
86.06136	0.6
86.99092	1.0
87.05646	2.6
90.00198	2.0
97.04089	1.4
99.05648	9.5
101.07233	1.5
102.05616	1.4
107.06164	1.3
109.04042	1.7
111.05657	1.0
112.04028	1.2
112.21490	0.6
116.01768	0.6
120.01234	0.9
123.05676	1.2
124.04088	0.8
125.03593	1.4
127.05119	1.6
128.03549	25.7
135.05675	2.6
137.07213	0.7
141.06702	2.6
143.04633	38.7
144.04980	1.2
145.06215	1.4
146.04637	3.0
153.06735	2.8
160.00758	10.8
165.01917	0.5
166.09843	2.3
167.04636	2.6
167.08273	1.4
177.02077	0.6
177.03345	3.1
179.03143	1.0
179.04622	7.5
181.06203	1.3
185.05675	1.3
192.07704	0.7
193.32750	0.6
197.05666	0.9
210.08841	7.9
242.07693	1.1
254.07803	10.0
272.08868	15.8
273.09177	0.7
288.06580	6.5
289.06894	0.7
293.23950	0.5
306.07669	100.0
307.07932	6.8
347.60092	0.6
633.10321	0.6
797.23132	0.7
801.43311	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32642	0.1
57.03445	0.2
59.01393	0.2
61.98835	100.0
62.98528	0.1
71.01385	0.2
79.95736	0.2
80.96589	0.1
94.98126	0.4
96.96037	0.2
117.21510	0.1
125.02486	0.2
126.90417	0.1
135.04572	0.1
137.02478	0.2
143.34258	0.1
165.01973	0.2
177.01929	0.2
187.04114	0.1
191.05608	0.5
209.11974	0.3
216.49025	0.1
241.92555	0.1
249.14969	0.6
250.15427	0.4
294.53357	0.1
300.02902	0.1
341.25742	0.1
389.27774	0.1
504.70935	0.2
507.55258	0.1
621.89063	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94206	0.2
61.98835	100.0
71.31487	0.2
71.31898	0.3
74.22098	0.2
75.00865	0.3
75.64037	0.3
85.00436	0.3
123.25669	0.2
125.02478	0.6
130.85779	0.2
174.34564	0.2
209.11911	0.4
213.29507	0.2
254.69505	0.2
289.07355	0.2
293.21365	0.3
295.95767	0.3
334.63525	0.2
436.44641	0.2
558.29211	0.2
801.45874	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.3
61.98835	100.0
70.22263	0.8
121.02988	0.2
125.02499	0.6
151.04036	0.3
195.04172	0.2
209.11893	0.3
212.23466	0.2
246.18401	0.2
286.51877	0.2
289.07184	0.4
308.12888	0.2
381.03296	0.2
396.25180	0.2
463.95929	0.2
672.77515	0.2
708.39716	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.1
61.98835	100.0
62.98526	0.2
65.46852	0.1
67.81270	0.1
69.05852	0.8
75.33669	0.1
78.87432	0.1
78.95918	0.2
79.95711	0.1
80.96521	0.2
85.10602	0.1
125.02541	0.2
151.04228	0.1
176.66533	0.1
197.11951	0.1
209.11942	0.4
289.07578	0.1
293.21451	0.1
318.35309	0.1
324.10974	0.1
335.54211	0.1
343.20074	0.1
614.93555	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.4
62.11072	0.4
68.58550	0.5
71.01392	1.1
74.72426	0.5
79.89526	0.4
81.03459	0.8
83.48105	0.4
85.02971	7.1
87.00883	1.1
89.91337	0.5
90.20888	0.5
93.03455	4.5
98.22624	0.9
109.02950	1.2
111.04514	1.5
119.05040	0.7
125.02463	1.4
127.03993	1.5
137.02460	0.5
139.55959	0.5
145.02945	0.7
148.59642	0.4
151.00372	0.5
163.03986	2.1
165.05528	0.5
173.04552	3.6
174.04805	0.5
177.01848	0.6
191.05618	100.0
192.05956	4.7
196.83885	0.5
255.02982	0.9
271.02502	1.4
291.70651	0.5
300.02750	2.5
301.03482	2.4
327.08780	0.9
337.09299	23.1
337.59637	0.7
338.09637	1.8
353.03018	1.3
447.09558	3.6
448.09915	1.0
462.05975	1.0
463.06589	1.0
609.12585	4.0
610.13367	0.9
811.75098	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.6
59.01370	1.2
67.01882	0.6
71.01363	0.9
79.66561	0.4
83.05029	0.8
85.02958	6.6
87.00870	1.6
93.03463	3.8
107.20718	0.5
109.02953	0.8
111.04541	1.1
117.03478	0.8
119.05029	1.1
125.02421	1.6
127.04015	1.8
141.25035	0.5
145.02989	1.4
155.59593	0.6
163.04021	1.4
171.03038	0.6
173.04597	2.7
191.05627	100.0
192.06000	3.9
197.56740	0.5
300.02853	0.7
330.77158	0.6
337.09302	24.6
338.09671	3.4
497.74893	0.5
501.35382	0.6
609.12982	0.8
801.21088	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
62.98535	0.2
70.15096	0.1
77.09054	0.1
95.98471	0.1
129.35690	0.1
133.70224	0.1
161.23952	0.1
227.77316	0.1
287.55142	0.1
288.60406	0.1
351.62350	0.1
396.38382	0.1
432.81787	0.1
530.41602	0.1
644.68512	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
65.19260	0.4
78.95946	0.4
79.16833	0.3
80.96528	0.6
96.96019	0.4
98.22620	0.7
108.36306	0.4
111.03580	0.3
121.78271	0.3
171.02347	0.4
247.09506	0.4
277.21994	0.5
536.37561	0.4
728.45581	0.4
803.38763	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
80.96520	0.7
85.00468	0.3
96.96076	0.4
98.21775	1.4
110.89411	0.3
113.52228	0.3
125.51640	0.3
148.70735	0.3
170.08624	0.3
197.61922	0.3
229.41121	0.4
231.73518	0.3
548.52972	0.4
590.67413	0.4
747.88483	0.4
785.37067	0.4
803.39142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.424
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
70.06150	0.6
70.06465	0.2
78.91891	0.4
79.95794	0.4
80.96540	0.5
95.27126	0.2
110.14302	0.2
118.71067	0.2
124.36153	0.2
126.99472	0.2
145.54666	0.2
167.72725	0.2
168.86919	0.2
191.66476	0.2
209.11856	3.2
209.13702	0.2
210.12289	0.5
277.21759	1.3
278.22125	0.4
353.50839	0.2
450.22171	0.2
517.94342	0.2
548.33807	0.2
803.39813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
66.76891	0.3
79.91753	0.3
115.24509	0.3
145.57480	0.5
147.00687	0.3
149.74573	0.3
151.23137	0.3
173.49208	0.3
209.11902	3.8
210.12248	1.0
227.13014	0.7
228.83650	0.5
253.09277	0.4
277.21722	4.0
277.24292	0.3
278.22195	1.3
497.41394	0.4
575.24823	0.3
803.38544	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.6
59.01385	3.2
71.28804	2.9
72.39973	2.2
72.71247	2.1
85.02955	18.1
87.00874	2.8
93.03465	8.0
109.02932	6.3
109.38356	2.0
111.04501	3.3
113.12001	2.2
123.04527	4.4
125.02438	6.6
125.03351	2.0
127.04048	4.6
128.82773	2.0
137.02466	2.8
147.04468	3.7
151.03979	3.9
152.91342	2.0
159.04495	5.2
161.02510	3.1
161.05983	2.8
173.04425	2.8
175.04015	15.2
182.91461	2.2
191.05617	100.0
192.05945	4.8
198.03226	3.3
199.04016	23.2
201.01920	2.5
203.03523	2.6
211.03932	6.6
214.02820	4.1
215.03456	6.1
217.05072	3.1
225.05473	6.7
227.03552	24.2
229.04951	4.7
231.02983	2.8
239.03607	3.2
240.04260	7.9
241.04973	7.2
243.02992	51.2
244.03264	3.5
251.03514	12.2
253.05051	16.3
255.02951	7.1
257.04514	3.7
267.03049	4.2
269.04449	5.4
279.02805	3.3
281.04346	4.1
285.03922	3.0
297.04025	26.2
405.09689	11.5
407.07590	2.9
423.10767	8.4
431.07700	7.6
449.08685	11.7
459.09354	54.5
460.09653	5.6
493.87283	2.5
567.15161	5.9
611.14081	41.1
612.14417	7.1
788.19000	3.0
803.20062	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17043	1.4
59.01378	1.8
71.01385	1.8
71.27246	2.5
79.78178	1.4
85.02962	17.9
87.00877	3.2
93.03452	10.1
109.02966	4.7
111.04468	3.0
123.04504	4.2
125.02480	9.0
127.04015	3.2
133.02963	2.1
135.04544	3.8
143.05000	1.9
149.02455	1.6
151.04005	3.2
159.04497	5.3
161.02457	3.6
161.06036	2.4
163.00288	1.6
163.04031	2.1
171.04504	1.9
173.02376	2.2
173.04558	3.5
174.03201	2.0
175.04042	12.6
177.02077	2.2
179.95580	1.7
187.04044	5.4
189.05641	1.4
191.05623	100.0
192.05940	4.2
198.03268	2.3
199.04021	20.8
200.04417	1.4
201.01880	2.9
203.03638	2.1
211.03984	4.9
213.05391	1.9
215.03575	7.4
217.05054	4.3
223.04308	1.7
225.05611	6.0
226.02705	1.7
227.03520	20.4
229.05028	4.5
231.02953	2.5
240.04274	5.2
241.05116	7.8
243.02980	50.6
244.03119	2.4
251.03560	13.4
252.04070	1.7
253.05116	14.0
255.03059	3.8
257.04572	3.1
258.05090	1.6
267.03012	3.0
269.04565	4.8
273.04022	3.1
281.04608	2.1
285.04065	2.3
289.07089	2.6
295.02774	1.6
295.05923	1.9
297.04065	29.3
298.04398	2.4
351.07144	3.6
387.08771	2.1
405.09744	11.3
406.10056	1.9
407.07532	4.3
431.07730	7.3
449.08936	12.0
459.09399	38.7
460.09772	6.5
611.04041	2.0
611.14075	41.1
612.14575	8.0
656.39081	1.8
675.88403	1.8
768.91492	1.9
803.20435	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50098	1.8
59.01395	1.9
71.28862	1.7
83.01408	2.0
85.02959	20.5
87.00896	2.5
90.97882	1.7
93.03458	10.7
95.01430	2.4
99.04483	1.7
109.02972	6.8
111.04542	2.7
123.04515	2.5
125.02450	9.1
127.04023	2.3
133.02925	3.5
135.04547	4.2
137.02441	3.2
145.02933	2.6
147.04561	3.4
151.04054	3.1
159.04535	4.5
161.02443	2.1
161.06064	2.6
163.04008	2.8
173.04700	2.7
174.03178	4.8
175.04004	17.0
177.01924	4.2
182.03596	1.8
187.04051	5.0
191.05615	100.0
192.06032	4.7
198.03285	2.3
199.04004	24.3
201.02077	2.7
205.05186	2.5
211.04044	7.4
212.04800	2.3
213.05580	5.7
214.02576	1.9
215.03494	7.8
215.05426	2.2
217.05154	4.3
225.05664	4.7
226.02802	3.0
227.03491	25.4
228.03949	2.9
229.05060	5.9
231.02968	4.0
239.03589	2.1
240.04343	5.8
241.05052	8.7
243.02988	49.4
244.03380	5.4
251.03471	15.2
253.05086	19.2
255.03047	5.5
257.04617	3.7
265.04944	1.8
267.02829	3.3
269.04614	4.1
273.03995	2.5
281.04581	5.0
289.07196	3.4
297.04083	26.7
298.04568	2.7
351.07202	3.1
354.21429	1.9
370.12567	1.8
387.08981	2.5
405.09894	11.1
407.07684	5.3
423.11011	3.8
431.07587	10.1
449.08801	12.0
459.09332	41.8
460.09637	6.8
489.10971	2.3
611.14044	41.8
612.14111	8.1
803.20074	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25659	1.2
59.01374	1.2
69.09542	8.3
69.09942	2.1
80.92345	1.0
83.01383	1.5
85.02943	2.5
93.03455	3.6
95.05006	1.1
109.02966	1.8
121.03030	1.0
125.02468	3.3
127.92780	1.0
135.04547	8.2
137.02449	4.4
151.00417	2.0
151.04050	1.3
161.09709	1.5
164.01140	1.3
165.01956	3.6
167.03497	2.5
173.04584	1.8
173.06030	1.1
175.04044	1.0
175.07697	1.5
179.03537	4.0
179.10794	2.3
187.03954	1.3
191.05614	20.0
203.07068	1.3
217.08673	1.9
223.09723	2.3
227.03523	36.3
228.03970	2.6
229.05052	1.5
229.08594	1.3
241.04958	1.3
255.02989	55.0
256.03516	9.1
257.04614	1.5
284.03281	55.4
285.04028	48.5
285.06509	0.8
286.04370	3.8
308.08932	1.1
352.08084	2.4
353.08615	7.0
367.11786	4.1
385.12833	1.5
417.08289	100.0
418.08682	11.6
455.13367	1.3
577.95752	1.2
603.15076	1.1
714.10101	1.2
803.25104	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14232	6.7
71.95221	0.7
83.18606	0.7
92.31110	0.7
93.03461	0.8
95.84109	0.7
103.20592	0.7
107.01376	0.7
109.02929	0.9
110.21386	0.7
125.02451	2.2
127.71206	0.7
135.04523	1.7
137.02452	2.6
146.03790	0.9
148.84192	0.7
151.00403	1.1
164.01149	0.8
165.01915	2.0
167.03625	0.9
173.04575	1.5
173.06007	0.8
179.03496	1.6
179.10713	1.7
183.04526	0.9
191.05696	4.8
200.04745	0.8
217.08867	0.9
223.09758	2.9
227.03510	37.4
228.03879	2.9
229.05261	0.7
229.08723	0.9
255.02994	49.4
256.03568	7.4
257.04593	1.2
281.43121	0.9
284.03281	57.4
285.03952	18.9
286.04333	1.7
323.13101	0.8
353.08624	1.3
355.36603	0.8
367.11743	2.4
385.12900	1.1
417.08295	100.0
418.08627	13.7
455.13644	1.4
523.02020	0.7
547.82489	0.6
750.80408	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.6
59.01369	3.2
60.17997	1.2
71.31194	1.7
85.02954	4.5
93.03452	4.0
109.02998	1.5
124.01621	1.7
125.02481	2.6
130.81656	1.2
131.05099	1.2
135.04524	9.7
135.11725	1.9
151.00348	1.4
151.03987	2.2
161.02492	1.4
163.00369	1.6
165.01955	2.7
173.04591	2.2
179.03426	3.2
179.10776	8.5
191.03976	2.0
191.05630	29.0
191.07332	1.4
192.05948	2.6
199.62331	1.3
223.09778	12.1
227.03516	38.2
228.03783	2.4
229.05045	4.1
255.02994	50.4
256.03564	6.0
257.04749	1.6
268.16504	1.8
284.03290	52.0
284.06421	2.9
285.04034	43.6
286.04404	4.8
352.08023	3.0
353.08588	7.5
367.11981	1.4
417.08273	100.0
418.08578	12.4
429.21069	2.0
457.72174	1.4
803.23596	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	3.1
59.01108	3.0
59.01369	19.4
61.98834	13.4
66.24641	2.2
66.92180	2.3
69.03474	2.6
70.40144	2.2
71.01368	3.8
71.84537	2.3
73.02944	6.1
81.03468	6.2
82.75097	2.1
83.05028	7.9
85.02974	2.6
95.05008	5.7
96.95998	5.4
97.02970	14.3
98.22061	14.4
107.05043	4.0
109.02986	2.9
109.06599	66.6
110.06901	2.9
111.05643	2.3
121.06583	4.7
123.00626	2.2
123.04515	4.2
123.43484	2.4
125.02404	2.9
135.04552	3.3
135.08162	5.8
136.05350	3.3
137.06107	13.4
142.02715	5.6
161.09747	5.3
163.11305	35.5
164.11612	2.3
181.12349	14.3
189.09206	3.5
191.05637	6.1
199.09624	2.7
207.10278	63.6
208.10605	4.9
221.11841	2.5
221.94765	2.5
225.11302	17.5
226.11784	3.4
271.69489	2.4
273.11554	3.9
347.14960	3.4
365.13763	2.6
401.22000	11.2
403.28824	2.5
412.22031	2.8
421.15359	3.2
439.17868	2.7
479.20966	5.5
497.22314	3.8
541.20898	15.8
542.21460	3.1
559.21899	100.0
560.21918	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91182	0.9
61.98815	1.1
63.06436	0.9
71.30975	1.4
90.86505	1.1
95.01408	3.6
97.02975	1.2
99.00883	6.7
102.51633	1.0
107.82446	0.8
111.00868	1.1
113.24812	1.0
131.53856	0.9
151.04027	17.7
151.07663	42.2
152.04388	1.0
152.08450	29.6
153.09132	2.1
162.10509	2.0
171.10342	2.9
175.07634	1.6
180.08064	1.3
184.07407	7.2
190.10030	3.5
193.08673	3.4
195.10268	1.3
202.82271	0.9
208.11084	3.2
209.15480	58.6
210.15858	4.9
219.17526	1.7
247.17036	4.6
252.10027	11.9
265.18118	12.5
266.18570	1.1
291.16049	4.0
291.19684	7.2
309.17160	100.0
309.20715	17.7
310.17441	9.7
310.20804	1.8
401.06897	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.4
59.01376	8.4
59.40844	2.2
61.98826	8.7
68.99548	2.0
71.01378	6.9
71.32024	3.6
83.05027	4.3
83.75864	2.1
85.02953	3.4
87.00903	2.4
89.02467	4.2
96.79467	2.4
96.96020	3.3
99.04534	21.5
101.02457	5.6
112.98623	3.5
113.02453	3.8
116.92911	2.3
119.03514	3.0
125.02444	4.3
125.09717	3.9
153.09227	9.8
159.04465	2.5
161.04546	3.6
163.11337	4.8
168.46584	1.9
169.12335	4.6
171.10272	25.8
185.11681	2.5
191.03760	2.5
191.05585	2.9
197.11868	2.7
207.10167	2.8
209.11844	100.0
210.12180	6.2
211.13440	8.0
212.69130	2.4
225.11307	5.8
227.12837	13.6
235.08160	3.0
253.09285	10.7
262.44147	2.1
289.18121	7.8
299.65271	2.2
307.19147	34.0
308.19690	5.3
308.83560	2.1
325.20248	14.8
341.23325	3.2
381.09802	3.9
481.15015	5.9
497.29123	3.5
543.28217	8.6
561.29517	3.0
581.20258	9.3
735.39594	3.9
750.99005	2.6
753.41052	3.2
775.56708	2.3
803.43585	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.6
61.98838	2.8
64.96113	1.3
67.15070	1.5
69.03449	1.9
71.01393	1.8
78.84956	1.4
80.96499	2.0
98.22621	3.2
103.91593	1.6
111.08186	2.8
119.08678	7.0
125.02412	1.6
125.09721	2.3
137.09726	13.1
138.09953	1.3
151.04036	2.7
151.07657	2.9
169.12334	2.1
171.10281	33.0
185.11867	7.3
197.11798	14.6
199.13414	1.7
201.11325	2.9
209.11842	5.0
209.15469	4.1
211.13449	3.2
213.11324	2.0
229.19626	2.0
230.20316	1.9
273.18674	3.7
288.59006	1.4
291.19684	13.3
309.17273	7.3
309.20700	100.0
310.21005	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
67.52700	0.5
70.80100	1.2
73.46307	0.5
76.51159	0.5
85.02962	8.1
87.00883	1.4
93.03459	2.4
109.02940	1.1
111.04516	1.1
111.87873	0.6
123.04510	0.6
125.02451	0.7
127.04018	1.5
133.02960	0.9
134.03581	0.6
135.04541	6.2
137.02441	1.8
147.05659	0.8
161.02446	2.4
173.04575	2.5
179.03499	5.8
180.03912	0.6
191.05626	100.0
192.06027	5.1
245.08195	0.5
289.07144	3.6
327.02921	0.7
353.08853	20.0
354.09155	2.3
451.12381	1.7
469.97406	0.6
489.07315	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.3
59.01372	0.8
67.01899	0.4
69.41486	0.9
70.40395	0.2
71.01389	0.5
77.04862	0.2
83.01383	0.3
83.05020	0.2
85.02957	7.5
87.00887	1.7
87.54522	0.3
93.03474	2.4
94.03831	0.2
97.02982	0.2
98.21841	0.2
99.04523	0.4
109.02963	0.6
111.04521	0.6
125.02467	0.6
127.04025	1.9
133.03014	1.1
135.04533	0.6
137.02460	2.6
151.03983	0.6
155.03499	0.2
161.02446	1.8
171.03024	0.4
173.04553	1.2
179.03522	0.6
191.05626	100.0
192.05972	4.4
200.53416	0.2
265.31528	0.2
351.07080	0.3
353.08798	10.0
354.09091	1.1
377.85416	0.2
451.12436	1.4
556.97504	0.2
644.94183	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.6
70.06657	1.1
71.01376	1.3
71.30980	1.0
71.31400	2.1
85.02969	2.5
87.00901	1.4
93.03471	1.5
96.96013	15.9
109.02981	4.1
109.53509	1.1
121.03015	1.2
121.06690	1.5
123.00880	3.0
125.02437	2.5
135.04561	2.7
136.01619	1.8
137.02458	24.4
139.04031	1.5
149.02448	2.6
150.03268	2.0
151.00385	13.5
151.03979	4.3
152.04784	1.9
159.04555	1.5
163.04010	1.3
164.01180	2.0
165.01941	100.0
165.05560	4.3
166.02724	36.4
167.03375	3.5
175.04039	2.1
175.32617	1.0
176.24815	1.3
177.01920	3.1
177.05632	1.7
179.03491	21.7
179.07202	1.3
180.04298	52.6
181.05069	38.3
182.05421	2.4
187.04050	4.2
189.05618	1.1
191.05638	7.8
192.04248	2.3
193.05031	2.1
194.05843	4.2
195.03006	2.5
195.06633	81.2
196.07028	5.4
205.05092	5.4
207.06688	2.0
210.05342	12.5
211.05911	1.7
219.06590	2.2
220.07451	3.7
225.07703	60.8
226.08095	3.2
229.14449	5.2
270.03799	1.1
298.82697	1.2
301.58646	1.4
359.11392	1.6
387.10074	5.9
387.15198	7.4
402.13272	5.2
416.14767	3.3
417.09833	2.7
417.15546	56.6
418.15878	7.0
565.17914	2.1
566.31354	1.1
575.21057	3.9
595.21802	49.7
596.22302	11.2
613.21698	1.3
643.14563	2.0
643.24030	22.4
644.24316	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.6
70.06657	1.1
71.01376	1.3
71.30980	1.0
71.31400	2.1
85.02969	2.5
87.00901	1.4
93.03471	1.5
96.96013	15.9
109.02981	4.1
109.53509	1.1
121.03015	1.2
121.06690	1.5
123.00880	3.0
125.02437	2.5
135.04561	2.7
136.01619	1.8
137.02458	24.4
139.04031	1.5
149.02448	2.6
150.03268	2.0
151.00385	13.5
151.03979	4.3
152.04784	1.9
159.04555	1.5
163.04010	1.3
164.01180	2.0
165.01941	100.0
165.05560	4.3
166.02724	36.4
167.03375	3.5
175.04039	2.1
175.32617	1.0
176.24815	1.3
177.01920	3.1
177.05632	1.7
179.03491	21.7
179.07202	1.3
180.04298	52.6
181.05069	38.3
182.05421	2.4
187.04050	4.2
189.05618	1.1
191.05638	7.8
192.04248	2.3
193.05031	2.1
194.05843	4.2
195.03006	2.5
195.06633	81.2
196.07028	5.4
205.05092	5.4
207.06688	2.0
210.05342	12.5
211.05911	1.7
219.06590	2.2
220.07451	3.7
225.07703	60.8
226.08095	3.2
229.14449	5.2
270.03799	1.1
298.82697	1.2
301.58646	1.4
359.11392	1.6
387.10074	5.9
387.15198	7.4
402.13272	5.2
416.14767	3.3
417.09833	2.7
417.15546	56.6
418.15878	7.0
565.17914	2.1
566.31354	1.1
575.21057	3.9
595.21802	49.7
596.22302	11.2
613.21698	1.3
643.14563	2.0
643.24030	22.4
644.24316	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	12.5
59.01372	19.1
61.04858	3.6
61.98825	17.8
71.01389	15.3
71.31903	6.8
75.19974	4.2
83.05033	7.2
85.00471	7.5
85.03004	5.4
87.00877	4.1
89.67220	4.4
90.92052	4.0
92.89775	3.6
96.48766	3.9
96.96018	35.9
97.06591	6.7
97.24985	4.0
99.92675	3.7
101.02464	10.2
109.06612	13.4
113.02460	5.3
116.92880	34.3
125.02455	12.0
128.90150	8.2
135.08185	4.8
161.04543	5.6
163.11292	7.3
171.10269	12.9
201.11391	9.2
207.10251	38.7
209.11845	100.0
210.12198	8.7
225.11357	31.1
227.12775	22.8
235.08276	5.1
253.09322	18.2
287.16351	6.0
305.17426	9.4
341.23349	9.7
417.22696	4.7
440.96027	4.1
443.19061	4.6
445.21341	5.0
461.20160	11.1
477.96384	5.0
499.30795	19.4
531.56226	5.1
562.78949	4.4
585.48242	4.6
625.03717	4.1
635.30487	18.1
653.31805	27.8
671.32953	26.6
672.33710	9.7
805.37714	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
59.01385	18.1
61.98821	2.3
68.99574	3.9
69.03468	1.5
70.22637	0.6
71.01387	18.8
72.99326	1.5
73.02949	2.5
75.00860	0.6
80.02682	0.9
81.03473	1.8
82.95428	3.6
83.01405	2.2
83.05037	5.5
84.02176	1.0
85.02946	4.0
87.00896	4.3
89.02454	14.5
93.03465	0.8
95.01394	2.3
95.05046	1.1
96.96010	3.1
97.02965	3.2
99.00894	1.2
101.02449	14.1
109.02961	0.6
112.98592	4.4
113.02462	6.7
113.98952	0.6
114.93423	3.7
115.00343	1.0
116.92863	0.7
119.03530	3.5
125.02451	6.0
125.06111	0.8
125.12442	0.7
135.08153	1.1
137.02501	1.0
143.03505	3.2
153.12878	0.8
161.04622	3.2
163.11304	4.2
165.12878	2.3
167.03435	0.7
169.12378	6.4
171.10269	1.9
174.89940	0.7
179.05624	4.4
191.10709	1.2
197.11845	91.1
198.12180	6.4
199.13460	0.7
201.11363	2.0
209.11844	100.0
210.12172	7.3
217.07076	1.1
221.06638	1.2
227.12903	17.4
235.08241	4.1
235.13445	1.1
253.09178	0.9
287.07761	0.9
305.08780	2.4
323.09717	0.8
324.89014	0.6
379.12534	5.2
397.13544	37.0
398.13907	3.6
415.14612	10.2
416.14993	1.3
450.88696	0.6
577.24762	1.0
589.25873	0.7
595.25861	1.6
607.25836	1.3
706.43713	0.8
769.36993	0.9
787.36877	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61706	2.7
59.01366	7.2
61.98838	100.0
69.13072	15.4
69.13483	8.7
71.01375	4.6
80.96532	15.1
83.64644	2.5
93.24950	2.7
94.98120	2.8
125.02444	5.9
185.11841	2.9
193.00771	3.3
197.11763	2.9
209.11893	29.5
219.03285	2.9
225.00804	4.6
227.12859	3.1
253.09274	4.9
291.19705	10.6
295.22949	4.4
323.22269	5.7
349.79590	3.7
403.24887	13.1
406.56534	3.1
486.79926	3.5
721.52765	3.3
805.39502	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.4
60.20557	1.1
61.98824	3.2
62.61547	0.9
63.14223	0.8
64.32661	0.8
64.71259	1.0
64.96906	1.0
71.01379	3.1
71.31133	1.1
79.12809	1.1
82.95435	6.8
89.02457	2.8
96.95928	0.9
101.02464	4.7
113.02425	1.5
161.04478	1.3
179.14342	1.2
195.13899	11.2
196.14449	1.0
223.13374	7.2
228.13754	1.3
253.09300	17.5
256.13141	1.2
275.20093	5.8
293.21255	100.0
294.21597	10.2
353.59589	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	10.9
59.01379	5.2
61.49132	2.1
69.82574	1.7
71.01391	3.9
71.27068	2.0
83.01379	3.0
84.02162	2.1
85.02958	100.0
86.03316	3.4
86.43829	2.0
87.00861	2.1
111.00907	5.4
129.01926	9.8
137.02451	2.8
140.79128	1.9
147.03020	12.0
160.03062	1.9
173.00941	1.8
191.01991	48.5
191.05615	25.9
192.05931	9.2
193.06154	4.2
209.03021	26.4
355.06549	18.8
578.62897	2.0
643.74615	2.1
643.85059	2.3
670.88000	2.5
716.54138	2.1
720.36835	2.1
779.79004	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	6.1
59.01382	92.9
60.01688	1.6
61.98821	2.8
65.15398	1.9
65.41958	1.9
71.01389	69.9
71.05038	2.5
72.99299	6.7
73.02959	2.2
83.01394	2.8
85.02966	12.3
85.20942	1.6
87.00874	14.2
89.02453	100.0
95.01389	3.7
96.96039	3.1
98.22626	3.2
98.95635	2.5
99.04544	12.5
99.92573	2.1
101.02455	35.1
102.09243	1.5
109.25146	1.8
113.02456	26.0
116.47704	1.8
116.92851	5.4
119.03526	36.5
120.03835	2.3
122.10814	1.9
123.04495	2.1
125.02474	16.1
131.03554	4.9
137.02496	4.2
137.44713	1.9
143.03519	12.9
149.04630	3.8
150.06662	1.9
161.04573	17.8
163.11189	2.1
171.10268	7.4
179.05626	99.9
180.06013	4.8
197.11812	5.0
199.09818	1.8
199.13582	2.4
201.11346	4.8
207.10291	2.4
209.11845	21.4
210.12181	4.1
227.12965	3.5
253.09200	3.6
264.04092	3.8
265.05078	6.8
285.03784	2.1
293.04553	4.7
297.07471	2.9
309.07687	2.1
323.09821	31.3
325.07184	3.3
327.21786	6.1
337.07162	2.0
338.07611	2.3
351.08914	2.2
353.06628	4.0
356.56659	2.1
368.08990	4.6
383.06921	3.0
383.11453	30.1
384.11761	5.1
397.13364	2.3
401.12268	4.4
429.37012	2.0
483.16608	33.2
484.17075	6.8
501.17499	8.8
807.26221	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	3.7
59.01385	89.4
61.77877	1.2
61.98824	1.8
70.55344	1.1
70.94320	2.3
71.01389	68.7
72.99300	6.3
73.02935	2.5
82.95412	1.4
83.01405	1.9
85.02951	9.9
87.00886	11.0
89.02455	98.2
90.02766	1.8
95.01402	4.4
96.96025	1.4
99.04539	16.2
101.02451	31.6
107.03503	1.8
109.02966	1.4
113.02461	29.7
116.92889	6.0
119.03517	41.9
119.04360	2.7
120.03754	1.3
125.02456	27.5
131.03491	4.4
143.03535	10.8
149.04559	3.5
161.04591	16.2
179.05630	100.0
180.05978	3.9
209.11829	3.1
213.57880	1.2
254.05832	1.5
264.04355	3.4
265.05127	7.1
267.06912	1.3
293.04492	4.3
297.07736	2.9
308.06940	2.6
309.07614	2.0
311.05841	2.0
323.09885	22.5
325.07324	7.0
326.07715	1.7
336.06390	1.5
353.06799	7.3
368.09058	4.9
383.11389	38.5
384.11697	3.8
401.12378	3.8
463.05115	1.2
483.16666	34.1
484.17313	6.0
501.17798	12.7
502.17770	2.2
543.18396	2.1
663.23291	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	8.6
59.01375	14.8
61.98835	100.0
69.72746	3.5
70.28933	3.7
71.01382	11.5
75.90423	3.3
78.95911	6.0
83.04988	4.8
88.47549	3.4
88.98798	5.0
99.04528	10.3
101.02422	5.5
102.73212	3.7
116.92849	29.4
125.02417	9.7
171.10289	6.6
197.11766	8.6
199.13356	7.2
207.10207	5.4
209.11835	70.8
225.11565	7.7
227.12901	36.6
228.77539	5.0
229.14529	8.2
235.08266	7.1
253.09357	15.8
307.19183	13.9
309.20636	5.3
323.19168	4.1
433.20740	5.6
463.22174	7.5
501.32211	21.4
502.31863	4.6
543.27887	5.5
653.32312	4.9
653.44812	4.6
655.33405	12.7
807.40411	9.8
808.39673	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.1
59.01377	24.1
61.98840	19.7
69.03455	2.6
69.07021	2.1
69.07336	19.8
71.01390	53.8
73.02940	4.7
78.95905	4.6
83.01386	3.0
83.05034	5.5
85.02927	5.2
87.00900	3.3
89.02451	12.2
93.03478	2.2
95.01373	2.7
97.02956	5.7
99.00871	5.5
101.02438	13.2
109.06598	40.5
109.21051	2.1
111.04517	4.5
111.08181	11.7
113.02454	5.5
114.30303	2.1
121.06574	2.6
123.04549	3.1
125.02487	3.9
125.09708	7.4
125.24237	2.3
126.25693	2.4
127.14309	2.3
135.08194	3.0
142.02686	2.8
161.04535	6.1
161.09749	5.0
163.11293	20.6
171.10275	17.7
177.12906	2.7
179.10764	10.3
181.12335	7.8
185.11823	6.2
187.09677	4.2
195.10217	2.9
195.13922	8.1
197.11848	8.3
199.09747	5.3
201.11374	5.6
205.08716	16.2
207.10284	100.0
208.10622	8.1
209.11848	17.7
213.11375	4.6
223.09789	32.6
223.13353	6.2
225.11351	53.7
226.11662	4.0
235.08279	4.9
241.10880	5.0
242.96614	2.7
253.09276	19.5
275.20172	7.5
291.19687	61.6
292.20010	10.6
293.21222	23.7
459.18982	4.9
461.20120	13.4
462.21417	3.2
503.54016	2.4
592.98090	2.5
735.39154	3.3
807.41602	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	4.7
59.01379	23.5
61.98841	28.0
69.08994	25.2
71.01382	44.3
73.02964	5.5
78.95890	4.2
81.03442	4.0
83.01420	5.2
83.05018	2.9
84.39576	2.9
87.00874	4.9
89.02426	6.8
92.51946	2.6
93.03461	2.7
97.02930	5.0
97.67137	2.6
99.00846	3.1
99.04532	3.2
101.02451	12.7
109.06586	24.1
111.04491	3.5
111.08145	12.0
113.02497	3.2
118.32631	3.1
125.02478	4.6
125.07226	2.7
125.09708	5.5
135.08142	5.7
161.04559	6.9
161.09676	4.7
163.11247	12.8
167.10794	3.4
171.10277	8.9
177.12839	5.4
179.10812	7.7
179.61382	3.5
185.11804	6.5
192.41573	2.8
195.13904	12.9
197.11766	3.4
199.09848	3.4
201.11441	4.0
204.92326	2.6
205.08696	10.8
207.10280	54.7
209.11818	8.6
211.13326	3.1
213.11290	4.1
223.09770	16.6
223.13269	14.6
225.11302	33.7
235.08208	4.8
253.09274	21.0
273.18719	3.6
275.20148	10.9
291.19659	100.0
292.20047	11.0
293.21259	44.5
294.21564	5.6
337.41858	3.6
338.59982	3.2
356.02280	3.2
357.51215	2.7
461.20328	2.8
501.32620	4.1
667.33020	4.0
679.97955	3.5
777.26971	3.4
807.39899	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17444	1.6
57.03448	34.4
59.01386	23.0
61.98831	7.5
65.54277	1.5
71.01389	7.3
73.02930	4.4
83.01414	2.0
83.05050	3.0
85.02954	3.4
85.06658	2.1
89.02477	2.1
96.96039	3.5
97.61411	1.8
98.21722	4.4
99.00844	1.9
99.04519	30.1
101.02464	10.1
109.02952	1.9
113.02451	3.7
116.92870	18.0
123.04555	5.3
125.02460	23.9
131.03439	1.8
137.02477	2.1
143.03491	2.1
161.02539	2.1
161.04550	5.7
171.10381	2.7
174.86504	2.0
178.97025	2.0
192.94348	1.9
203.05522	1.8
207.10271	2.2
209.11787	15.7
210.12230	1.8
221.84955	1.9
225.11266	3.0
227.12936	3.8
228.96201	2.1
251.62029	1.8
253.09271	3.0
292.36444	1.9
305.08783	27.4
306.09030	2.4
325.20370	3.2
331.49237	1.7
355.30090	2.5
381.27979	4.0
443.28220	4.9
444.28253	2.5
457.33142	11.8
458.33621	4.1
483.31558	9.2
501.32285	100.0
502.32504	20.4
581.66034	2.0
663.36719	11.5
705.38446	4.3
807.41296	22.6
808.41687	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28656	1.0
57.03181	2.1
57.03451	28.4
59.01382	11.6
61.98836	2.0
67.73684	0.9
69.00229	4.0
69.00651	6.6
69.03452	1.3
71.01396	5.9
73.02949	2.8
81.03452	3.5
83.01405	1.4
85.02949	17.1
88.98818	1.3
99.04531	22.7
100.04868	1.0
101.02441	9.9
109.02957	1.5
113.02454	3.6
116.92883	2.5
123.04504	2.3
125.02449	29.3
126.02776	1.6
127.04049	1.6
155.26999	1.1
161.04573	3.3
165.33148	1.2
174.26091	0.9
203.05687	1.5
209.11862	9.5
227.12929	2.1
253.09390	1.5
305.08716	7.6
325.20135	1.5
364.85989	1.0
397.27402	2.5
415.28564	3.2
439.32257	2.9
457.33643	1.4
483.31073	4.1
501.32217	100.0
502.32574	18.5
519.33337	2.1
543.33337	6.1
663.36896	3.1
715.26398	1.0
748.04163	1.1
807.41504	14.3
808.41754	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	28.8
58.00576	1.3
59.01384	13.8
61.98849	6.4
69.40549	6.1
71.01391	4.3
73.02952	3.2
81.03465	2.9
83.01412	1.5
97.03003	1.2
99.04533	18.3
99.49133	1.0
101.02462	10.1
113.02502	1.9
116.92864	4.9
123.04521	1.1
125.02460	34.3
126.02776	1.2
126.98253	0.9
127.07656	1.2
134.54953	1.0
143.03500	1.0
145.75989	0.9
158.23462	1.0
161.04617	2.1
163.43317	1.0
164.75056	1.0
179.94122	1.0
197.11855	2.4
201.11412	2.0
209.11852	10.7
227.12900	5.5
235.08376	1.1
247.36861	1.2
253.09306	2.2
289.07239	1.7
305.08899	6.9
307.19196	2.9
309.20538	1.7
395.33167	3.9
408.48294	1.1
421.31110	1.3
425.27112	10.0
426.27448	1.8
439.32349	2.9
443.28217	2.1
457.33298	1.8
463.22086	2.0
465.30032	1.8
481.29428	1.8
483.31213	4.2
501.32281	100.0
502.32587	22.1
543.33417	3.0
544.33710	1.3
655.33063	1.6
663.37463	1.5
807.41595	17.2
808.41669	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.431
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	22.6
57.38795	4.5
59.01378	22.2
61.98833	100.0
67.62242	4.6
71.01379	10.7
76.53072	4.6
83.33115	5.6
88.37527	4.7
98.22649	11.0
99.04520	18.0
114.83311	4.3
125.02445	15.2
161.02438	4.6
161.04544	6.5
171.10246	8.0
209.11832	35.5
227.12939	9.0
229.10823	5.0
251.38977	4.3
253.09262	9.7
265.92184	5.4
291.19644	9.7
292.80112	5.3
293.21213	26.4
300.83707	4.8
305.08551	13.7
398.20444	5.2
403.24811	9.1
501.32080	37.1
807.41675	24.7
808.42407	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	56.6
58.03772	1.2
59.01385	15.8
61.98841	4.3
71.01388	9.4
71.32153	1.3
73.02954	11.3
79.05563	0.9
80.96527	0.7
81.03455	3.3
83.01391	4.4
85.02978	1.8
99.04527	54.0
100.04865	1.3
101.02453	21.1
101.03123	1.1
102.02806	0.7
104.37823	0.7
113.02481	2.2
113.06098	1.8
123.04530	4.1
125.02460	46.6
126.02773	2.5
141.05649	1.6
143.03539	3.9
161.04536	3.8
202.45956	0.7
203.05557	2.0
265.30804	0.7
305.08792	9.1
323.09735	1.0
361.03912	0.7
425.34225	0.8
469.33310	3.9
470.33749	1.2
473.75568	0.8
483.35114	3.5
487.34253	6.6
488.34634	2.4
497.73230	0.9
501.35895	100.0
502.36285	22.7
515.37378	3.3
516.37805	1.1
543.36938	3.4
667.19183	0.9
679.19275	0.8
686.57367	0.9
807.45349	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.0
61.98832	100.0
71.01391	0.6
87.00904	0.3
96.96064	0.3
99.04558	1.0
103.01516	0.8
109.02985	0.2
116.92894	0.9
125.02489	1.0
151.04105	0.3
171.10323	0.4
191.05650	0.3
201.05490	0.3
209.11850	1.3
210.12244	0.4
227.12953	0.3
228.90897	0.3
253.09503	0.3
289.07303	0.5
295.06250	0.4
327.21970	0.3
335.17267	0.3
353.10519	0.5
383.11285	1.3
384.11432	0.4
407.09509	0.2
483.16772	0.9
545.16986	0.3
645.22430	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93596	1.0
61.98824	3.7
69.71579	1.0
71.29362	1.7
91.59470	1.0
93.03468	3.9
96.96031	1.5
109.03017	1.7
119.08679	1.0
119.66572	1.1
121.02938	4.7
122.03743	16.3
123.04545	1.9
125.02463	1.6
133.02954	2.2
136.01691	2.4
137.02495	2.3
138.53758	1.1
149.02454	24.5
150.03236	100.0
150.68788	1.1
151.03581	5.7
154.38017	1.1
161.02429	1.6
162.03235	1.5
164.04793	5.9
165.05580	92.5
166.02754	2.9
166.05997	6.6
177.05333	1.7
179.07124	4.0
180.04300	6.9
181.05075	5.8
190.06142	1.1
193.05005	1.1
195.06633	79.9
196.06981	4.3
229.44240	1.1
252.56943	1.0
260.94339	1.1
265.14423	1.1
270.69550	1.1
387.14728	1.6
417.15524	7.0
565.20966	3.6
613.22870	2.6
817.23688	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	0.9
69.26789	2.2
93.03468	4.5
95.05056	0.7
104.11552	0.3
108.02155	0.7
109.02980	1.3
121.02972	6.5
122.03752	16.6
123.04530	0.9
125.02454	0.4
131.41930	0.4
133.02975	1.4
134.03790	0.9
135.04529	0.5
136.01686	3.3
137.02438	3.6
138.99246	0.5
139.00363	0.5
146.03743	0.6
149.02454	23.2
149.06056	1.1
150.03236	100.0
151.00404	1.3
151.03983	6.5
152.04393	0.5
159.04541	0.6
161.02437	0.4
161.06139	0.4
164.04807	4.4
165.05577	89.7
166.02751	4.0
166.05885	3.5
167.03418	0.7
177.05586	1.1
179.03485	0.8
179.07129	3.7
180.04288	6.5
181.05064	6.1
187.03902	0.5
195.06635	59.9
196.07007	3.1
205.05128	1.3
219.06715	0.5
220.07358	0.9
221.08212	0.4
231.25243	0.5
256.94305	0.5
387.14789	3.2
403.13681	0.7
416.15125	0.5
417.15536	6.7
418.15970	1.2
527.07306	0.5
565.20770	9.7
566.20886	1.9
595.21692	1.2
613.22955	2.5
667.24164	0.6
713.25879	1.2
761.27625	0.6
809.30450	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86131	0.5
61.98849	0.8
67.59515	0.7
68.97471	5.8
72.19610	0.5
81.57494	0.6
82.48337	0.7
93.03464	5.1
98.21835	1.5
105.03457	0.9
108.02177	1.0
109.02964	2.0
113.08282	0.7
121.02971	6.4
122.03762	17.2
123.04564	1.7
124.01700	1.0
126.23157	0.5
132.02237	0.8
132.21674	0.5
133.02942	2.3
134.03680	2.7
135.04533	1.0
136.01669	6.3
137.02464	5.8
139.04044	0.7
146.03777	1.4
147.04510	0.9
149.02446	33.9
149.06067	3.1
150.03235	100.0
151.00389	2.0
151.02594	0.9
151.04041	16.8
152.04770	1.3
161.02495	0.6
161.06166	1.0
162.03244	1.6
164.04776	7.2
165.05576	93.7
166.02733	6.5
166.05902	4.5
167.03358	1.1
177.05569	2.7
179.03546	1.3
179.07144	6.8
180.04306	6.0
181.05063	7.3
184.03754	1.0
190.06213	0.6
192.04337	1.0
195.06633	48.3
196.06998	2.5
205.05034	1.6
219.06693	1.0
220.07321	1.1
235.09721	0.8
339.08423	0.7
386.13501	0.8
387.14371	2.2
402.13242	0.6
416.15036	0.7
417.15543	9.6
418.15906	1.2
420.80392	0.6
535.20056	0.8
550.18176	0.8
564.19952	1.7
565.20831	18.4
566.20837	2.8
595.21649	2.7
613.22919	3.8
619.21399	1.3
667.23755	1.0
713.26031	7.9
714.26013	2.4
743.26947	4.3
744.27521	0.8
761.27472	1.7
809.29028	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.6
58.00594	1.3
59.01382	36.8
60.01706	0.4
68.98972	0.4
69.03448	0.7
71.01387	52.6
71.29778	0.3
71.30213	0.4
72.01712	0.8
72.99311	2.1
73.02952	12.2
75.00867	0.7
81.03447	0.3
81.31877	0.3
83.01390	5.7
85.02956	19.7
85.81737	0.3
86.00092	0.5
86.03321	0.6
87.00871	2.4
89.02453	23.2
90.02779	0.4
93.03458	0.5
95.01394	3.9
97.02957	1.1
99.00892	5.8
101.02449	31.5
102.02808	0.4
113.02457	20.9
118.91557	0.3
119.03506	8.7
120.03841	0.4
125.02464	1.8
129.01932	0.5
131.03505	1.1
137.02409	0.4
138.36270	0.3
143.03508	3.4
149.04564	0.8
154.84250	0.4
159.03026	3.0
161.04558	21.8
162.04875	0.7
165.09227	3.9
179.05624	4.7
183.10291	0.9
191.05592	0.8
205.03584	0.4
285.17123	1.1
289.07443	0.4
301.16583	16.5
302.16910	1.6
331.17554	1.7
345.15546	100.0
346.15912	11.1
394.65097	0.3
463.22018	1.0
477.50110	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.01385	100.0
60.01723	1.2
61.98834	1.0
71.01397	0.8
75.00891	1.5
83.01392	0.5
88.98808	0.6
93.03474	0.4
96.96005	0.5
98.22550	1.1
103.00485	7.5
103.01505	63.8
104.01865	0.5
109.02987	0.6
114.08296	0.5
116.92857	1.7
123.04500	0.9
125.02486	3.7
136.03992	0.6
137.02429	1.1
150.03226	0.7
151.03989	1.5
164.01137	0.5
195.06607	0.6
209.11835	3.0
230.93422	0.4
235.81349	0.4
289.07010	1.6
512.67395	0.5
832.27161	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03182	1.4
57.03450	23.2
58.75533	0.9
59.01386	6.8
60.05714	0.8
60.75726	0.8
61.98829	3.6
69.04746	5.9
69.05167	3.8
71.01382	2.4
77.81449	0.8
96.95948	1.0
99.04522	7.9
101.02445	3.4
116.92867	1.2
125.02467	8.6
143.03513	1.1
161.04561	1.9
201.11267	1.6
209.11829	5.0
227.12962	1.2
227.34145	1.1
305.08826	4.4
309.20694	2.9
383.29367	8.3
401.30624	2.4
423.32623	5.0
424.33151	1.0
431.95795	0.9
441.33749	8.3
442.34103	2.6
459.34753	4.0
467.31470	1.2
485.32605	6.9
486.33215	1.2
503.33820	100.0
504.34073	17.9
632.22729	1.0
665.39148	19.1
666.39520	4.4
707.39813	3.0
708.39160	1.2
809.42865	5.5
810.43420	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03377	31.7
57.03693	4.3
58.03744	0.7
59.01308	10.9
59.01633	1.2
61.98755	2.4
69.01046	4.9
71.01305	3.1
72.73240	0.4
73.02886	1.3
81.03407	0.5
83.01351	1.0
85.02888	1.2
89.02392	0.6
99.04529	13.6
99.05146	0.5
100.04808	0.6
101.02451	7.8
109.06533	0.6
113.02420	1.1
113.39600	0.4
116.92855	2.1
123.04450	0.7
125.02456	11.5
133.50023	0.4
143.03349	1.6
161.04613	2.5
203.05486	1.5
209.11861	2.6
210.12038	0.7
211.13466	0.4
225.86198	0.4
243.08430	0.5
253.09219	0.6
305.08804	19.3
306.09012	1.5
325.20041	0.9
334.51157	0.4
365.28229	1.2
383.29565	14.0
384.29733	1.7
401.30609	3.9
402.30872	0.8
407.29303	0.7
408.60934	0.5
409.27399	1.9
423.32693	5.5
424.32776	0.8
427.28528	1.5
441.33832	10.3
442.34210	2.0
449.30286	0.7
459.34894	5.0
460.35040	0.8
467.31647	1.9
485.32843	8.3
486.33057	1.2
503.33820	100.0
504.34171	18.8
512.18903	0.6
527.33832	0.7
545.34991	1.9
665.39099	13.2
665.50128	1.0
666.39526	3.5
707.40118	5.9
708.40930	1.4
747.43378	1.8
809.43335	14.3
810.43433	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	27.0
59.01382	12.6
61.98840	4.8
65.38703	0.6
66.98453	0.7
68.49263	0.7
69.03442	1.3
71.01378	4.6
71.31547	0.7
71.32005	1.0
73.02943	1.6
81.03461	1.8
81.75914	0.6
83.01392	1.1
85.02954	10.9
88.98816	0.7
89.02409	0.9
91.32005	0.7
97.02952	0.8
99.04528	13.7
101.02438	6.4
103.01456	1.3
109.02942	1.4
113.02456	1.6
116.92856	2.9
123.04529	2.3
125.02462	17.3
126.02803	0.9
137.02464	1.3
139.30910	0.6
143.03506	1.1
151.04018	1.8
159.04446	0.7
161.02498	1.3
161.04573	3.8
165.01962	0.8
183.94624	0.6
201.11464	0.8
203.05635	2.8
209.11847	3.0
245.08179	0.7
260.22961	0.7
289.07220	4.2
305.08792	25.3
306.09229	1.8
370.23276	0.7
399.28860	0.9
417.30200	3.8
441.33731	1.1
442.34222	0.7
459.34863	1.8
467.32031	0.7
485.32791	12.2
486.33011	1.4
503.33823	100.0
504.34161	16.9
545.34973	2.7
665.38934	7.5
666.39325	1.9
707.40118	3.2
708.40796	1.3
809.43213	11.8
810.44049	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	41.5
59.01382	20.4
61.98841	8.4
62.26197	1.1
64.55334	1.0
69.03426	1.5
71.01397	8.9
71.03141	2.1
73.02946	2.1
78.95894	1.4
81.03480	1.1
85.02948	3.6
96.30725	1.2
99.04529	27.8
101.02454	9.7
113.02460	1.6
125.02454	19.0
147.86543	1.0
161.04565	4.9
168.96011	1.0
171.10268	3.6
197.11786	2.3
203.05626	3.4
207.10175	2.5
209.11871	5.3
225.11333	4.3
227.12854	1.6
253.09271	1.8
288.48383	1.1
291.19675	2.4
293.21216	4.7
294.21738	1.1
305.08804	48.3
306.09201	4.5
309.20825	2.9
357.31573	2.0
401.30563	1.8
431.31775	1.5
437.93652	1.2
441.33704	3.8
459.34894	14.6
460.35312	3.3
475.34329	2.0
485.32535	3.6
503.33841	100.0
504.34113	20.1
665.39056	7.9
666.38599	1.8
687.13806	1.4
707.40796	1.5
809.43976	9.7
810.42725	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99337	1.1
61.98827	3.5
64.62669	0.7
68.95648	0.7
71.01364	0.7
71.32092	1.0
74.07564	0.8
82.95448	4.8
84.00925	1.5
84.95133	15.2
85.00445	100.0
86.00801	1.3
92.94174	0.8
100.12199	0.7
168.18390	0.8
182.39032	0.8
233.90121	0.8
277.21667	1.0
682.84930	0.9
697.27032	1.0
744.15924	1.0
770.37451	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42106	44.4
70.86093	90.9
240.74431	44.9
244.95482	56.7
277.21774	100.0
296.67432	42.1
369.14645	47.5
522.75726	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56931	34.6
61.48463	33.2
65.39723	37.3
68.46117	32.8
68.79141	38.6
78.95917	64.1
87.76942	37.7
98.21754	100.0
136.99016	38.1
173.13840	37.3
228.95535	48.9
274.48862	38.5
277.21814	52.6
360.59180	43.3
374.90262	45.6
653.07800	44.5
687.32764	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	1.5
69.21009	2.5
69.21412	6.4
81.03478	1.8
83.01399	2.8
93.03493	1.8
95.05034	2.4
96.96033	1.3
97.02962	3.7
98.21752	1.5
102.21570	1.3
108.19239	1.4
109.02973	14.7
121.02972	2.7
123.04552	10.5
125.02448	13.2
135.04538	1.7
137.02457	23.9
139.03949	1.9
149.02483	3.9
150.03024	1.5
151.04044	6.4
161.02466	7.7
161.06084	3.6
164.01129	1.7
165.01894	4.8
167.03522	2.0
175.03960	2.0
179.03510	5.2
181.43675	1.6
187.04044	4.1
188.04761	3.1
202.06404	1.6
203.07184	12.1
205.05086	7.8
227.07104	1.2
245.08223	16.7
246.08586	2.3
271.06168	1.4
289.07208	100.0
290.07526	9.8
299.07529	6.1
313.07034	1.8
451.12460	33.9
451.18591	2.2
452.12891	5.8
490.40656	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	8.9
59.01360	0.7
70.02991	7.5
71.26126	0.7
72.00916	2.2
72.04572	1.2
74.02482	46.5
83.01389	1.0
95.44468	0.6
98.02486	11.2
109.02982	3.6
116.03561	10.5
116.05074	16.7
117.05456	0.7
121.02991	0.8
123.04536	2.3
125.02470	1.3
130.06641	1.9
131.07077	0.6
137.02495	1.0
142.06639	3.4
149.02452	1.0
151.04041	0.8
159.09305	3.1
161.02432	2.3
161.06003	0.7
163.04022	1.6
165.01866	1.2
180.11040	0.6
187.04030	1.1
190.02592	0.7
201.10347	4.1
203.08286	46.8
204.08659	3.1
205.05063	0.9
213.29724	0.7
221.22531	0.7
245.09334	100.0
246.09685	9.5
247.05928	0.7
285.07767	0.8
287.09229	1.0
288.60138	0.8
289.07117	3.6
292.72534	0.7
356.28406	0.6
437.12585	3.0
449.12466	2.9
467.13535	4.1
811.28607	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.34
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.2
59.01378	0.6
69.19471	2.2
69.19899	2.2
71.01373	0.9
81.03476	2.1
83.01390	3.1
85.02954	0.8
89.02465	0.7
93.03458	1.6
95.01398	0.7
95.05037	2.7
97.02956	6.3
99.04517	0.9
108.02183	1.2
109.02964	22.3
110.03339	0.5
111.04472	0.9
117.40048	0.5
121.02976	3.1
122.03747	1.2
123.04536	13.7
124.04826	0.6
125.02460	15.1
133.02937	0.6
135.04514	2.1
137.02446	9.7
138.03238	0.5
139.04022	3.7
143.07170	0.8
145.02934	1.0
146.03741	1.2
147.04454	0.7
149.02440	5.3
150.03239	1.2
150.18513	0.5
151.04028	8.0
155.10764	0.8
159.04495	2.6
160.05209	1.3
161.02461	1.3
161.06113	4.9
162.03215	1.8
163.04015	2.1
164.01257	2.8
164.04733	0.8
165.02020	3.3
167.03496	1.7
173.04561	0.6
173.06015	0.6
175.04002	1.9
175.07660	1.4
177.05623	0.9
179.03508	5.9
179.07178	0.7
185.06056	0.8
187.04018	4.7
188.04811	3.5
191.05647	1.5
193.01421	1.0
194.84908	0.5
197.08195	1.1
201.05594	0.7
202.06381	1.7
203.07173	12.1
204.07439	0.9
205.05080	8.1
208.03839	2.4
212.04877	0.7
217.08470	0.6
217.10765	0.9
221.08226	3.4
223.06126	6.2
227.07234	2.5
230.05869	1.1
231.02968	0.8
245.08200	18.6
246.08525	2.2
247.06082	1.4
271.06082	0.6
289.07199	100.0
290.07529	9.7
359.14450	0.6
385.11337	0.8
811.27960	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.9
59.01392	2.5
61.60881	1.6
61.98836	100.0
99.04525	8.4
101.02468	1.9
125.02484	8.0
179.30698	1.5
206.28185	1.5
229.45496	1.5
307.73029	1.7
469.33197	14.8
470.33408	2.5
765.58801	1.8
775.42828	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	9.2
59.01373	7.8
61.98837	100.0
99.04564	12.3
101.02441	5.1
125.02486	14.3
137.49358	2.1
140.45558	2.1
182.16623	2.1
189.52408	2.7
253.52716	2.1
264.20767	2.4
277.21680	3.9
305.08597	5.7
314.15652	2.6
469.33270	40.9
470.33493	8.9
775.42358	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
65.97114	82.7
70.79345	66.8
78.95901	100.0
113.30126	72.5
233.75906	71.8
279.23517	79.6
378.46109	81.9
391.61343	89.4
506.55002	83.0
611.42065	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99033	1.5
60.99312	19.3
61.98813	1.9
66.34521	1.2
87.00903	1.3
87.08359	1.0
88.98812	100.0
89.02454	4.9
101.14728	1.1
154.13313	1.0
158.45871	1.2
235.94479	1.3
830.33929	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99314	21.2
61.98832	2.5
71.31533	1.7
73.48307	0.9
79.85670	1.0
87.00880	0.9
88.00423	1.1
88.98818	100.0
89.02464	7.6
201.63091	1.0
207.94473	1.4
209.11926	1.2
217.74925	1.1
218.59435	1.0
250.36905	1.0
391.67636	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56719	13.9
69.57127	5.6
73.57253	3.0
78.95912	100.0
79.95771	2.8
80.96529	12.7
83.05044	6.1
93.45861	3.4
94.98075	2.7
96.96986	22.1
136.79092	2.7
152.99626	10.6
163.11310	5.9
163.94812	3.3
165.12845	4.9
181.05685	2.8
194.00075	2.7
209.11847	54.1
210.12305	4.6
223.00146	4.5
227.12813	3.2
241.01215	32.5
255.23309	40.9
256.23593	5.5
284.53519	3.3
352.13785	2.8
394.84573	3.0
709.38007	6.0
813.43951	44.4
814.44641	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.3
61.98836	100.0
67.44934	0.3
71.32323	0.6
75.45294	0.3
80.96544	0.4
93.97099	0.3
125.30733	0.3
155.86737	0.3
185.24545	0.3
241.90988	0.3
815.50684	0.5
839.21136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.1
59.01367	2.3
60.35075	0.6
61.98814	0.8
69.03449	0.8
71.01383	1.9
71.30928	0.9
73.02946	1.6
81.03493	0.6
83.05014	2.4
85.02938	3.0
85.25109	0.6
94.32948	0.7
95.05032	8.1
97.02933	0.8
98.03691	0.8
108.02197	0.8
109.02969	1.5
109.06579	1.6
111.04531	7.3
111.08173	1.1
113.02446	1.5
113.06091	7.3
115.04036	1.9
119.05028	1.6
121.02913	0.6
121.06574	2.3
122.03767	1.8
123.08160	2.1
124.05325	1.4
125.02459	2.2
133.06575	0.8
135.04501	0.9
135.08177	1.1
137.06099	4.8
137.09708	1.2
139.07663	2.9
149.09723	5.4
151.04063	1.0
151.07607	0.9
155.07162	1.3
155.10765	1.0
163.03987	1.4
163.11325	1.5
165.09180	3.9
171.11798	2.9
173.09688	1.3
174.10387	0.7
177.09090	0.8
189.12866	36.2
190.13196	1.9
191.05638	2.2
199.09776	0.7
203.11038	1.0
207.13960	3.5
229.01401	2.5
233.11765	1.9
241.21519	0.8
251.12886	37.6
252.13261	2.3
295.11871	100.0
296.12222	9.3
353.06772	1.0
427.19235	1.2
615.95007	0.8
749.15027	0.8
802.12000	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.8
59.01389	2.1
61.98837	16.4
71.01385	0.7
75.70151	0.5
80.96516	2.7
84.22644	0.5
94.98134	0.6
97.06620	0.5
98.22643	1.1
99.04538	1.5
111.04608	0.5
113.02493	0.7
125.02468	1.8
139.03764	1.3
153.05347	1.1
180.84830	0.5
183.02753	0.6
218.53854	0.5
225.03883	2.1
241.82988	0.5
297.54770	0.5
365.00607	0.5
367.26273	0.6
378.87216	0.5
381.27997	0.7
383.29538	1.2
385.31152	0.7
435.25137	0.8
443.35641	0.6
447.28745	0.7
487.33777	0.8
491.31653	1.3
509.32516	100.0
510.32819	19.6
523.34033	3.6
524.33948	0.6
541.96088	0.5
815.41803	23.4
816.42004	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	18.9
71.01366	4.5
71.30417	3.1
78.95911	100.0
79.95695	3.0
80.96515	6.9
92.17608	2.6
96.96960	21.2
97.02982	2.6
125.09747	4.6
127.11331	5.0
137.44586	2.7
138.81432	2.6
146.97972	2.9
148.03661	3.1
152.99634	26.0
165.51453	2.7
171.10277	62.1
172.10614	5.3
199.09700	6.4
201.11450	4.2
207.10242	7.0
223.00095	7.3
225.11278	8.7
241.01216	44.7
255.23280	56.5
256.23599	4.2
259.02179	4.4
468.15656	2.8
515.30304	3.0
515.39026	2.7
553.27759	4.4
667.93835	3.1
725.38800	40.0
726.39313	9.9
779.39270	9.2
797.41327	33.8
798.41644	6.7
815.41504	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.6
61.98822	7.1
71.01382	3.1
72.99325	2.2
78.95916	18.5
79.49456	1.9
80.00365	2.1
80.96550	3.4
83.05065	4.8
96.97002	3.6
98.22549	4.8
101.02504	2.8
101.41261	2.2
119.53260	2.4
141.41269	2.0
152.99667	3.9
171.10316	11.1
178.12907	2.2
207.10248	2.8
209.09862	4.8
209.11838	100.0
210.12225	8.7
227.12933	10.5
228.84302	2.3
241.01199	9.3
253.09323	6.4
255.23383	10.1
277.21780	47.0
278.21967	6.6
362.55170	2.4
725.38593	10.1
726.39063	3.3
779.40070	3.9
797.40930	14.7
798.41931	4.9
815.41565	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.0
63.96229	1.9
64.25635	1.0
69.03429	1.5
71.01385	11.7
71.02489	2.1
71.02847	1.2
73.02939	2.1
76.60272	1.0
78.95901	1.0
78.98591	6.7
79.38371	0.9
79.95303	1.7
79.95744	19.3
80.96523	99.9
81.03423	1.2
85.02970	4.6
87.00878	3.6
92.39972	1.1
94.98100	21.3
96.95974	1.4
97.02966	2.0
101.02473	1.6
106.98100	4.9
122.97607	4.2
125.02433	4.8
134.97578	5.6
136.99174	1.4
138.17198	1.4
148.99170	8.6
152.98647	8.3
164.98647	14.0
206.99715	1.9
211.89197	1.2
225.00732	19.0
255.23160	2.8
277.22040	1.3
537.27716	1.9
559.26154	1.7
580.28070	1.2
752.46313	1.2
815.49921	100.0
816.50189	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	7.5
61.08073	0.9
61.98838	8.4
66.03461	1.1
69.40206	7.3
71.01389	1.3
72.00919	1.4
74.02478	18.2
82.02985	2.2
86.02496	6.9
86.99091	1.7
87.05654	4.0
90.00206	1.2
93.03497	1.2
97.04102	2.3
99.05647	13.9
101.07211	3.1
102.05613	2.5
105.61442	0.9
109.02979	1.3
109.04107	2.4
109.07676	1.2
109.98461	0.9
111.05698	1.4
116.01804	1.3
116.92883	1.8
117.92947	1.3
120.01270	1.0
124.04101	1.3
125.02460	5.4
125.03474	1.4
127.05148	2.8
128.03552	48.0
129.03903	1.9
129.99629	1.0
133.02969	1.5
135.04657	1.3
135.05663	4.2
137.02464	2.4
137.07234	1.2
141.06715	3.5
143.04636	59.0
144.05042	1.6
145.06232	2.7
146.04596	6.7
151.04030	1.1
153.06775	5.0
160.00746	15.9
166.09840	2.3
167.04602	5.1
167.08307	2.1
173.04536	1.7
177.02061	1.3
177.03416	5.7
179.04646	14.3
181.06206	1.5
185.05728	1.6
191.05650	2.0
197.05681	2.0
203.97348	1.0
210.08891	12.6
254.07808	14.4
255.08224	1.9
272.08893	36.4
273.09015	1.1
284.03415	1.1
288.06631	8.7
289.06955	2.3
306.07678	100.0
307.07962	7.2
409.88974	1.0
543.23810	2.0
816.19061	1.1
816.33612	20.0
817.20917	1.6
817.33759	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
77.35880	0.3
80.96538	0.9
98.22533	0.6
109.85542	0.3
111.68253	0.2
116.92987	0.4
144.97565	0.2
197.12022	0.4
209.11967	0.3
315.97534	0.3
531.02637	0.3
610.57672	0.3
625.05383	0.3
816.49890	0.4
817.37616	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.8
71.01371	0.9
75.26542	0.7
85.65667	0.8
89.02435	1.7
101.02463	0.8
106.91399	0.7
116.69009	0.8
130.76811	0.8
130.90460	0.8
138.37373	0.7
148.64561	0.7
228.59969	0.8
235.08112	1.3
253.09280	5.0
277.21738	100.0
278.22076	10.4
383.33105	0.9
500.47693	0.9
578.04535	0.9
685.98907	0.9
817.51709	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.5593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
71.30899	12.3
71.31229	18.7
94.64201	12.4
103.01489	54.7
159.84290	11.8
168.98927	11.2
181.19693	12.7
242.78075	11.8
270.87613	14.2
374.18198	11.9
440.90265	13.1
521.55261	14.4
779.89703	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.424
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.4
59.01384	2.8
59.13301	1.1
61.98843	2.5
71.01396	3.2
71.32132	1.3
71.32497	2.0
73.02946	1.4
85.02953	3.6
87.00913	1.6
89.02467	1.9
96.80661	1.1
96.96007	2.0
99.04565	1.1
101.02461	1.8
103.81209	1.1
109.03008	2.9
121.06627	2.1
122.03721	1.6
123.04557	1.9
125.02453	5.4
133.02979	3.5
134.03735	2.0
135.04573	5.3
136.05316	62.8
137.02480	3.3
137.05746	2.3
146.04596	1.2
148.05275	5.3
149.06102	18.9
150.06880	3.9
151.04010	2.8
157.08682	1.5
162.06891	4.6
163.07726	5.7
163.08846	1.0
164.08438	8.2
165.09218	25.7
169.12381	1.7
173.04579	2.0
177.02017	1.8
191.05714	5.7
191.07208	1.0
193.05080	1.1
237.00571	1.1
239.39258	1.2
272.08939	1.5
281.21277	2.8
283.19250	1.3
327.21729	7.3
429.30081	2.4
430.30753	1.7
432.29102	5.4
446.30344	8.3
447.31207	34.2
448.31598	4.4
473.29166	1.4
474.29657	2.3
475.30621	3.7
492.30814	5.4
493.31693	28.8
493.38397	1.9
494.32196	5.8
637.35992	1.8
655.37000	15.4
656.37518	3.5
660.55377	1.3
817.42352	100.0
818.42651	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70720	1.4
61.98830	5.6
63.96258	2.3
67.90067	1.3
71.01388	8.5
73.02939	2.7
78.98586	7.3
79.95750	13.4
80.96520	87.8
85.02946	2.8
87.00880	3.9
90.22890	1.4
94.98093	19.9
96.96001	2.0
97.02981	1.5
98.22636	2.0
106.98111	4.7
116.99176	1.5
122.97630	4.0
125.02448	3.6
125.17719	1.2
128.15120	1.3
134.97580	6.6
136.18462	1.5
136.99210	2.1
148.99141	8.6
152.98653	5.8
164.98616	14.2
206.99693	2.3
225.00734	20.3
226.01357	1.8
229.31496	1.5
229.33516	1.8
255.23364	2.2
544.62933	1.5
817.51489	100.0
818.51831	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
61.98834	100.0
62.98549	0.2
63.99260	0.3
71.01381	0.8
73.18920	0.2
76.08068	0.2
76.32605	0.2
78.98592	0.2
79.95753	0.6
80.96524	3.0
80.96980	0.3
81.03486	0.2
85.02960	0.2
87.00906	0.2
94.98110	0.6
101.02468	0.2
109.67806	0.2
114.19769	0.2
117.81965	0.2
131.39891	0.2
134.97635	0.3
148.99188	0.2
151.03970	0.2
164.98732	0.6
171.10190	0.2
181.76099	0.2
200.85442	0.2
209.11885	0.5
211.13414	0.3
225.00870	0.7
227.12895	0.2
380.86612	0.2
428.94409	0.2
584.70575	0.2
653.82318	0.2
819.38391	4.0
819.52460	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.2
61.98835	100.0
62.98520	0.2
69.03684	1.3
71.01398	0.5
71.05051	0.1
78.95896	0.2
78.98618	0.2
79.95748	0.4
80.96519	1.7
83.40733	0.2
94.98102	0.4
96.96050	0.2
125.02511	0.2
126.86996	0.2
132.48976	0.1
133.67145	0.1
134.50789	0.2
134.97650	0.2
148.99214	0.2
153.61359	0.2
164.98698	0.3
191.05641	0.2
209.11935	0.3
225.00789	0.4
339.74057	0.2
819.38409	2.2
819.52374	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98835	100.0
62.98559	0.2
75.83645	0.1
78.95908	0.1
80.96539	0.3
88.98840	0.1
92.55356	0.1
95.10426	0.1
98.21712	0.3
125.02426	0.2
151.03935	0.1
181.43362	0.1
182.11671	0.2
278.84326	0.1
394.14734	0.2
430.49863	0.1
465.49078	0.2
484.72000	0.1
788.29816	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
61.98835	100.0
75.88624	0.3
80.96545	0.7
81.08074	0.3
121.03012	0.3
132.30170	0.2
169.12354	0.5
190.51295	0.3
197.11922	0.6
209.11914	0.8
309.20657	0.6
375.16519	0.3
461.56308	0.3
503.79663	0.3
660.34631	0.3
819.38593	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98534	0.3
64.33951	0.1
68.66100	0.1
70.15202	0.2
70.15601	0.2
77.69238	0.1
80.96497	0.2
91.76833	0.1
93.37586	0.1
98.22462	0.1
99.63233	0.1
102.21399	0.1
108.35806	0.1
122.71349	0.1
230.67267	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.2
61.98833	100.0
63.94096	0.1
65.04649	0.1
69.02051	0.8
69.02472	0.5
80.91666	0.2
86.13457	0.1
125.02464	0.1
147.15874	0.1
161.02606	0.1
199.39006	0.1
209.11887	0.5
291.19714	0.2
294.21768	0.1
320.40085	0.1
404.37149	0.1
407.44800	0.2
443.54404	0.1
577.39825	0.1
754.91266	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02242	0.2
59.01387	0.2
61.98835	100.0
62.98542	0.2
68.80201	0.2
70.20006	0.2
70.20367	0.6
70.98984	0.1
77.10673	0.2
80.96535	0.8
97.07140	0.2
114.70276	0.2
122.44915	0.2
136.37468	0.2
153.38048	0.2
201.46848	0.2
203.51994	0.2
382.21817	0.2
461.44873	0.2
819.41980	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.4
61.98835	100.0
68.19166	0.2
70.64991	0.5
71.40730	0.3
77.84772	0.2
80.96540	0.9
85.02986	0.3
96.51368	0.2
96.96093	0.2
97.03009	0.3
106.77263	0.3
110.59821	0.3
159.07242	0.3
170.87741	0.3
189.73589	0.3
216.60817	0.3
241.53439	0.3
242.19714	0.3
253.09523	0.3
293.21384	0.5
819.41864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.5
59.37077	2.2
61.98843	5.1
69.03127	11.5
69.03555	6.1
70.65247	2.0
87.05646	5.0
88.97166	1.9
129.10345	12.7
132.79944	1.8
139.08759	2.8
140.07123	2.7
161.95595	2.3
164.09570	3.1
165.10260	4.4
197.16641	2.8
200.14052	2.5
207.15045	11.7
224.17682	4.0
225.16043	2.8
241.13597	2.2
242.11897	2.8
242.18730	10.3
259.14609	5.3
293.67676	2.3
295.21365	8.1
312.17050	3.8
313.22324	2.6
337.26105	4.7
342.96591	1.9
355.27072	3.5
494.61563	2.1
518.41003	2.0
539.38843	3.0
617.23157	2.2
681.27197	2.9
782.51868	100.0
783.52301	27.0
818.49438	6.3
819.50458	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	2.9
80.96529	3.0
82.96104	2.2
85.02249	1.6
89.02480	2.7
101.02484	2.0
112.84270	2.0
123.53059	1.7
130.38219	1.7
142.89784	1.7
151.93576	1.8
154.76938	1.8
212.83498	1.7
225.00655	2.1
230.27466	1.9
250.84225	1.9
253.09303	7.3
277.21744	86.6
278.22076	11.0
279.23303	100.0
280.23712	7.9
389.25235	2.0
714.36627	2.2
818.49713	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.4
59.01373	2.9
63.02415	4.3
65.00328	5.8
71.01374	1.4
72.39315	0.6
77.15551	0.6
81.03469	0.8
83.01387	5.1
85.02937	1.0
87.00853	0.7
90.94888	0.6
93.03478	2.0
94.30942	0.6
95.01392	0.9
97.02987	1.1
100.39137	0.6
107.01393	9.3
109.02936	1.0
111.00864	0.8
117.03493	2.4
122.03796	0.6
123.00921	1.6
123.04581	0.7
124.01690	6.4
125.02464	11.6
133.02956	1.0
134.03732	2.9
135.04570	3.1
136.05293	2.6
137.02449	5.5
139.00404	1.2
146.03764	1.3
149.02484	1.1
149.06104	1.2
151.00385	28.1
151.04010	0.8
152.01169	37.6
153.01537	1.1
157.06535	0.7
159.04555	1.0
163.00485	0.8
164.01141	1.1
165.01924	4.8
165.09248	1.0
167.03519	2.6
169.01457	3.6
173.06082	2.1
175.03905	1.1
175.07631	2.0
177.01933	1.2
177.05565	0.7
178.99878	43.3
179.03427	1.3
179.10802	0.9
180.00261	1.8
180.05850	0.7
191.05658	3.0
201.05742	0.7
203.07268	0.9
217.08676	2.3
223.09789	2.1
225.05569	2.5
229.08638	1.7
229.40266	0.9
241.05240	0.9
259.06122	9.7
260.06680	0.7
269.04568	50.0
270.04987	5.5
271.02579	0.7
271.06155	0.8
286.04883	3.2
287.05640	4.9
323.13058	1.9
366.04785	0.7
366.10214	0.7
367.11951	5.5
385.12955	4.7
386.13132	0.7
433.11438	100.0
434.11810	11.9
449.32779	0.9
495.33167	1.5
657.37933	0.9
819.44159	4.9
820.43542	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.8
59.01372	1.3
71.01377	1.0
71.05029	1.0
71.31210	0.7
71.42189	0.8
73.02956	5.2
80.02686	1.6
81.03474	2.4
83.05034	6.9
84.02191	1.8
85.02968	0.9
88.13545	0.7
93.03473	3.0
95.05041	2.0
97.02964	2.3
97.06597	0.8
101.02460	0.7
107.05023	1.1
109.06606	2.7
119.48452	0.7
121.06577	1.6
123.08180	1.4
125.06167	0.7
133.06610	0.9
135.04544	1.0
136.05298	1.3
136.43510	0.7
137.06018	0.9
149.06079	1.7
159.08232	0.9
161.09732	1.0
163.11292	7.5
165.09259	1.4
165.12891	3.3
173.06131	0.7
189.09239	1.1
191.05583	1.7
191.10771	2.2
197.06091	1.0
199.11356	0.8
201.09138	1.6
209.11844	100.0
210.12199	7.2
215.10725	1.6
227.12900	52.0
228.13281	3.7
237.12914	0.8
255.13927	1.3
259.15509	3.2
266.39706	0.8
273.11392	3.1
317.13998	2.9
333.18607	1.8
339.08942	0.7
351.19791	3.3
359.16498	1.5
365.13708	1.4
377.17633	1.0
405.16583	0.9
417.20581	1.4
421.16492	2.3
435.21539	1.1
439.17535	2.7
457.18558	1.5
469.22369	1.5
471.23813	2.2
479.21112	4.0
497.21881	16.0
498.22116	2.8
515.22614	1.6
541.20831	3.0
554.01923	0.8
559.21887	36.4
560.22235	6.5
598.22327	0.8
819.43927	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	1.6
59.01379	17.1
61.35452	1.1
61.77034	1.1
61.98829	5.3
68.99535	1.1
69.03454	1.8
69.94648	1.0
71.01381	17.6
71.32009	1.3
72.99314	1.3
73.02941	3.3
81.03467	2.3
82.95411	10.6
83.01383	1.6
83.05024	5.5
84.02203	1.5
85.02945	5.9
87.00888	4.8
89.02446	12.8
95.01385	2.2
96.96026	4.4
97.02979	4.1
97.50577	1.1
99.04542	1.7
101.02440	13.7
109.02942	1.4
113.02461	6.8
114.93414	1.3
116.92837	1.2
119.03506	4.1
125.02455	8.7
143.03519	2.0
161.04578	4.5
163.11316	5.8
165.12807	3.2
171.10294	2.6
175.64577	1.1
179.05626	5.6
183.13905	6.8
193.12279	1.7
207.10275	1.4
209.11835	100.0
210.12172	7.5
211.13388	82.0
212.13690	5.7
221.06557	1.4
227.12891	14.8
228.13182	1.5
235.08217	4.9
253.09126	1.7
287.07858	2.2
289.07297	1.7
305.08749	2.0
375.30557	1.5
379.12558	5.1
397.13507	34.1
398.13867	3.6
415.14676	9.7
447.67520	1.5
609.27069	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01132	1.6
59.01386	18.6
61.98815	4.6
68.99549	1.1
71.01392	17.2
71.32032	2.1
72.99284	1.7
73.02962	2.8
77.50362	1.1
81.03447	2.5
82.95423	1.9
83.01395	2.2
83.05035	6.8
84.02159	1.8
85.02951	4.3
87.00884	5.0
89.02456	16.9
96.96008	1.5
99.00910	1.3
101.02445	12.4
109.06606	1.3
113.02498	6.3
114.04497	1.3
114.93472	1.4
119.03496	3.1
125.02455	9.3
137.02501	1.3
143.03502	3.2
151.04018	2.5
161.04584	5.1
163.11302	4.0
165.12878	2.3
171.10217	2.0
179.05602	3.8
183.13957	6.9
202.87737	1.3
209.11844	100.0
210.12248	7.4
211.13411	89.1
212.13712	5.7
221.06490	1.7
227.12845	13.7
228.13396	1.5
235.08252	5.0
287.07889	1.7
305.08777	1.9
323.10345	1.4
379.12607	6.5
397.13525	43.1
398.13815	4.6
415.14615	9.8
431.83783	1.3
460.04514	1.5
554.60229	1.4
607.25427	1.7
609.27576	2.5
618.59302	1.4
819.38733	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11368	0.5
59.31559	0.4
61.98833	4.9
65.58412	0.4
69.01272	4.1
70.10002	0.4
71.01387	7.9
78.95892	0.5
80.96068	0.5
80.96512	2.6
92.29290	0.4
98.21825	1.0
100.12776	0.4
125.02464	0.5
127.07672	1.0
137.53780	0.3
138.19765	0.4
148.05336	0.8
151.04045	0.4
151.07669	0.7
164.08449	0.6
175.73151	0.4
177.09209	4.0
190.09973	0.7
192.11600	7.1
193.11998	0.8
205.12357	3.7
207.13904	2.0
209.11867	0.5
218.09479	2.2
219.09927	0.5
220.12926	0.7
220.14690	42.3
221.15466	100.0
222.15797	8.9
225.00879	0.5
235.13414	1.3
236.10550	82.9
237.10924	6.1
293.17606	58.6
294.17960	6.5
304.78867	0.4
482.37189	0.4
525.07611	0.5
525.24567	0.7
803.43951	0.5
819.37952	2.6
820.39526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.0
59.01385	4.6
61.67419	1.3
61.98832	1.6
69.12498	9.0
70.58768	1.0
71.01389	3.8
72.99309	1.2
77.88088	1.1
83.01385	1.4
85.02962	3.1
86.92654	1.1
89.02427	1.7
96.96069	1.4
98.22532	2.7
99.04539	1.4
101.02447	2.7
109.02969	1.5
113.02456	2.0
121.06617	2.1
122.03741	1.5
123.04559	2.2
125.02480	5.1
126.12786	1.0
128.03572	3.4
135.04529	4.7
136.05307	53.9
137.02448	3.2
137.05679	2.1
145.06232	1.4
146.04623	4.2
148.05321	3.5
149.06090	19.3
149.84413	1.1
150.06863	4.3
161.02496	1.4
162.06898	3.6
163.04108	1.4
163.07672	4.6
164.08479	4.3
165.09207	20.2
166.09590	1.3
173.04582	1.4
177.02019	1.2
177.09253	1.3
181.12357	1.1
191.05659	5.9
225.11238	1.9
265.21707	1.8
283.22818	1.7
289.07266	2.8
329.23386	9.7
421.99588	1.4
431.32025	1.6
434.30502	5.7
435.30972	1.7
448.31836	7.4
449.32724	32.9
450.33020	6.1
475.30856	1.5
476.31546	1.6
477.32391	4.4
494.32373	6.3
495.33334	34.3
496.33490	7.4
657.38531	16.5
658.39001	2.3
819.43945	100.0
820.44275	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	15.8
61.98842	13.4
63.01532	2.5
68.99580	7.2
69.32765	14.5
69.33175	3.7
71.01385	14.5
83.05042	4.9
85.02956	4.4
87.00885	2.1
89.02451	10.8
96.96025	7.9
101.02448	9.4
108.64423	2.2
109.02932	2.8
112.98566	7.4
113.02463	6.5
113.82253	2.2
119.03555	4.1
122.94184	2.2
125.02458	8.6
127.07661	4.6
153.09245	3.6
161.04558	2.7
163.11255	3.2
165.12781	2.2
171.10304	7.0
178.09930	2.2
183.13986	3.2
185.11856	6.5
197.11856	9.4
199.13448	2.5
209.11838	100.0
210.12222	7.1
211.13403	55.5
212.13774	3.4
227.12880	13.5
235.08292	3.9
289.18307	4.8
307.19168	44.3
308.19495	5.2
325.20209	48.9
326.20587	4.7
327.21698	4.6
397.13580	23.3
398.13928	3.3
415.14600	3.7
446.30084	2.5
500.47650	2.3
819.41425	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	26.0
59.01369	14.8
61.98835	73.7
71.01389	5.2
78.95911	8.0
79.95747	6.8
80.96526	5.7
84.25275	4.1
88.24416	4.3
94.98089	9.7
96.96022	78.0
96.96988	7.3
99.04539	25.4
101.02460	17.8
111.91125	3.9
125.02457	38.8
135.10359	4.7
160.81163	4.6
197.11763	7.5
291.19647	7.4
292.20093	7.6
293.21255	13.4
305.08844	8.0
309.20804	8.4
328.63297	4.5
451.32254	100.0
452.32779	13.0
757.41638	17.1
758.41388	4.7
820.42584	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.4
61.98835	94.0
62.96424	1.7
69.64223	9.4
71.01373	7.1
72.99317	1.7
80.91666	3.2
80.96535	3.9
85.02926	2.2
89.02454	6.5
92.88087	2.6
96.95998	2.8
101.02448	4.6
111.08179	7.5
120.35302	2.2
124.19108	2.1
144.68967	1.9
161.04544	2.4
169.12332	3.8
171.10291	2.7
179.05611	2.8
195.13885	8.1
197.11833	41.5
198.12090	3.8
211.13557	9.4
211.15216	1.7
215.00331	1.9
223.13391	9.1
227.12999	2.6
235.08247	3.4
253.09294	31.0
263.20200	3.3
275.20236	7.1
277.21750	2.4
279.23367	2.7
290.32303	1.8
291.19684	13.9
292.20074	3.2
293.21249	100.0
294.21555	11.6
309.20743	58.3
309.23615	1.7
310.21155	5.0
585.41913	2.3
684.12360	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.3
59.01386	15.6
61.98838	9.8
71.01382	10.7
80.96524	12.7
85.00455	5.5
85.02974	3.7
87.44984	2.2
89.02460	5.5
94.98122	4.5
96.96027	6.4
98.95642	4.0
99.04552	5.0
99.92605	4.7
101.02467	9.5
111.08170	11.9
113.02480	6.0
115.92080	22.1
116.92876	11.4
125.02483	4.1
161.04617	3.4
164.98723	2.4
177.12924	3.3
179.10794	3.0
180.34065	2.3
195.13911	30.5
196.14662	2.7
223.13454	8.3
235.08316	2.6
247.20610	3.5
253.09322	18.8
259.25006	2.3
275.20264	12.9
277.21762	8.0
291.19696	100.0
292.20053	11.5
293.21262	97.1
294.21518	13.5
375.00162	2.5
453.33780	8.7
492.35745	2.9
546.52588	2.4
712.75171	2.7
821.43799	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	36.0
59.01385	13.3
61.98836	82.8
63.52076	1.9
69.15538	16.3
71.01383	6.2
73.02951	11.9
81.03471	3.7
98.21751	3.8
99.04525	41.8
100.04865	2.0
101.02460	16.9
113.02448	3.0
123.04541	5.9
125.02456	37.5
143.03554	1.8
161.04533	2.7
203.05678	2.0
218.23262	1.8
219.29478	1.8
297.80576	1.7
305.08893	10.1
453.33774	100.0
454.34186	19.9
467.35419	5.5
495.34695	7.6
518.83820	1.9
715.44336	2.3
759.43335	16.8
760.43542	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03183	2.0
57.03455	29.3
59.01383	9.2
61.98834	42.0
71.01384	4.7
73.02953	3.6
78.95900	1.9
80.96519	4.0
81.03463	4.2
85.00443	1.6
85.02984	1.7
96.96022	2.0
98.22530	4.3
99.04526	50.3
101.02453	10.6
113.02461	3.8
115.92085	3.7
116.92879	1.8
122.73242	1.5
125.02461	55.4
126.02767	3.6
143.03496	5.8
253.09294	1.6
277.21799	3.1
305.08798	10.0
372.22156	1.4
453.33783	100.0
454.34058	22.8
715.44293	4.2
759.43066	6.5
760.43787	2.9
822.44354	3.5
823.42773	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	2.7
62.59194	1.5
71.01381	4.6
73.57259	1.5
78.95909	100.0
78.98606	3.2
79.95743	5.7
80.96523	26.9
94.98092	5.5
96.96970	4.9
98.21719	2.5
99.92612	14.7
109.06575	2.8
115.92085	26.8
116.92126	2.7
116.92868	41.1
117.92891	2.1
148.99181	1.6
152.98456	1.6
152.99597	28.5
155.95212	2.2
163.89702	2.6
164.98660	3.0
172.95457	3.4
178.88454	7.0
179.89230	33.6
180.28763	1.7
180.90067	11.9
181.90804	3.2
189.82556	1.6
194.87965	2.1
195.00635	2.2
196.89502	31.9
205.90601	1.7
209.11859	9.8
219.92323	2.2
225.00786	5.8
235.91832	5.7
236.92609	7.8
237.93553	1.7
252.92096	1.9
253.92879	3.0
280.46896	1.8
292.70673	1.7
350.76196	1.8
389.00833	2.6
399.02991	1.9
454.72339	1.9
503.07892	1.7
720.49451	2.4
732.29669	2.6
755.28949	3.3
757.30438	1.9
805.32745	2.4
823.32953	52.8
823.45630	23.6
824.32465	17.1
824.45850	6.6
830.76300	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.3
71.01378	6.4
71.05028	2.1
71.28761	2.1
73.02950	4.8
74.97210	1.7
83.05024	3.8
95.05006	2.6
97.02969	16.2
98.91391	1.8
105.07093	3.4
107.05017	2.9
108.05816	8.4
109.02971	5.7
109.06619	4.0
111.04530	9.1
111.08154	2.5
113.06090	11.2
119.08667	3.8
121.02963	2.3
121.06605	5.9
122.03755	13.7
123.08179	9.9
124.05357	1.9
125.06092	13.4
135.08165	2.4
136.05344	11.4
136.15196	1.7
137.06068	6.3
138.06879	19.2
139.07672	35.3
147.43634	1.9
148.05310	7.6
149.06091	5.7
151.07669	79.4
152.04797	7.1
152.08458	31.2
153.09233	14.9
159.11827	4.2
161.09737	5.8
163.07663	9.3
163.32349	1.6
164.07895	1.9
167.07106	3.3
175.07654	2.7
185.09702	3.1
186.10419	1.6
188.08344	2.4
189.09195	5.9
201.12848	21.2
202.13374	2.1
203.10796	12.6
204.11562	42.9
205.11942	3.2
215.07132	1.8
219.13907	63.1
219.16068	3.3
220.14247	6.8
245.12030	1.9
252.47325	2.0
263.12906	100.0
264.13287	7.0
273.11331	3.5
283.15408	1.7
346.28351	1.8
359.16626	1.9
365.14078	3.1
395.18671	3.0
439.17798	5.7
479.20743	3.0
497.21735	8.1
518.32330	1.8
541.20959	12.5
542.21332	3.0
559.21881	81.2
560.22095	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.4
71.01375	4.4
85.02965	2.6
89.02461	4.1
96.95992	1.9
101.02492	2.4
111.04498	1.7
113.02457	3.6
119.05064	1.6
125.02434	5.2
135.11815	11.8
137.02448	7.3
146.03818	2.0
161.09732	5.0
164.01143	2.1
165.01877	3.3
176.69611	1.7
179.03355	1.6
179.10779	61.9
180.11125	6.6
203.10834	1.9
217.08591	2.0
223.09752	100.0
224.10117	7.9
265.10760	2.0
291.21631	1.7
367.11893	5.3
385.15262	34.4
386.15402	3.2
559.25964	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.8
61.98838	22.9
64.51939	3.7
65.46751	3.7
69.03415	30.4
69.03829	12.2
71.01392	29.4
73.02962	3.9
77.55286	3.5
78.95921	3.9
82.95434	45.2
83.05030	4.9
87.00869	3.5
90.81116	3.3
106.12165	3.4
109.06628	8.8
125.02465	3.8
125.24750	3.5
129.10776	3.4
160.50613	3.9
161.04559	5.0
163.11301	5.6
171.10301	12.5
171.33128	4.2
199.09740	19.0
201.11308	7.6
207.10201	20.5
207.64676	3.3
209.11847	100.0
210.12190	5.7
225.11392	24.0
227.12929	28.2
229.99551	3.4
232.70323	3.9
235.08267	6.0
253.09360	14.5
349.67126	4.0
435.18817	5.1
487.34503	5.4
518.96008	3.6
650.60638	4.2
653.29242	6.2
672.33026	7.4
683.41803	5.3
777.49847	4.6
823.36487	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	44.3
61.98836	81.9
71.01394	78.5
71.21766	17.1
73.75598	7.2
74.94182	7.8
75.97263	6.8
78.11088	7.3
83.01380	14.7
83.05042	9.8
85.02975	10.7
89.02480	10.6
96.24534	7.1
97.02953	12.4
97.06586	9.2
99.00850	9.4
101.02449	24.2
109.06612	49.1
123.04535	10.5
123.08141	9.4
125.02468	11.9
125.09750	21.1
137.09637	8.7
138.79425	7.5
163.11334	28.2
171.10275	35.9
179.10808	13.4
181.12358	14.0
185.11844	12.0
196.56726	9.1
197.11775	8.6
199.09767	17.2
201.11363	9.3
205.08774	22.4
207.10266	100.0
209.11836	78.7
210.12317	10.3
223.09758	45.3
225.11310	54.0
227.12869	12.9
245.19090	19.3
253.09285	31.7
279.25769	9.2
289.18121	27.9
291.19800	39.0
293.20914	9.8
307.19260	16.1
309.20728	31.2
311.22296	26.4
358.19357	7.9
461.20663	10.5
573.10565	9.5
757.26709	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.8
61.98827	30.7
62.04068	4.2
71.01392	13.6
79.41593	3.9
83.05047	6.5
89.02449	5.4
97.06591	7.3
98.21778	8.1
99.04545	23.6
101.02438	15.4
109.06602	5.5
116.88741	4.5
116.92865	8.2
125.02433	31.0
161.04521	4.6
177.10992	3.9
183.49081	3.7
193.12329	5.9
202.66998	4.0
207.10283	7.4
209.11852	100.0
210.12108	6.9
225.11462	10.9
225.14941	5.8
227.12900	22.3
235.08270	11.0
239.65533	4.6
245.35069	4.3
253.09271	23.3
305.08740	11.9
305.17664	5.2
325.20166	4.8
341.23398	59.6
342.23889	5.8
455.31573	5.4
462.62344	4.1
473.32944	5.1
499.30634	8.5
517.31769	51.5
518.31641	8.6
716.21008	5.2
763.44495	4.9
823.42499	35.5
824.42377	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.5
61.98827	6.6
70.24946	3.0
70.25282	3.4
71.01389	12.0
80.02685	2.0
83.05042	3.2
85.02961	2.6
87.00880	2.2
88.09653	1.8
89.02449	3.1
98.22475	2.2
101.02451	3.4
109.06593	6.1
113.02398	1.8
116.82372	1.7
116.92854	2.8
121.03041	1.7
125.02470	2.2
125.06127	3.4
125.09719	3.6
135.08180	2.8
141.52875	1.8
147.04495	1.7
153.09189	4.9
163.11259	7.0
171.10271	5.8
181.12335	2.6
185.11842	4.2
191.05640	3.9
191.10645	2.5
197.11870	8.1
199.09703	2.2
199.86426	1.9
201.11298	3.8
207.10243	16.8
208.10860	2.2
209.11844	100.0
210.12166	6.4
216.01118	1.7
225.11299	10.4
225.14871	1.8
227.12909	15.9
228.13483	2.0
235.08188	6.7
243.71935	1.8
253.09285	15.6
277.17929	2.1
287.16367	2.2
289.18073	3.1
305.17603	15.1
306.17914	3.3
307.19165	14.8
323.18671	2.5
325.20328	8.8
341.23337	31.8
342.23730	2.6
445.20874	3.2
461.20483	4.3
517.31866	3.1
541.26636	3.0
543.27905	3.5
577.32172	2.5
700.33167	4.1
751.39972	3.2
770.41174	2.3
823.42639	9.6
824.42932	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	42.2
60.17560	7.9
60.63598	8.0
61.75062	7.5
61.98838	77.3
71.01381	18.2
80.96522	16.1
83.05001	8.3
85.00435	15.6
87.00909	8.2
89.02457	11.8
99.04510	21.0
101.02443	19.7
116.92869	10.5
125.02431	17.4
126.01936	7.6
143.49002	8.0
161.04503	9.5
163.11342	11.5
171.10277	32.4
197.11850	33.8
199.09662	16.8
207.10197	17.9
209.11823	100.0
225.11314	20.5
227.12886	19.4
253.09296	29.2
266.96014	9.3
291.19632	8.9
305.08725	8.6
307.19052	9.0
309.20703	58.6
421.00253	8.8
453.06232	9.9
454.52515	8.6
517.31628	30.4
823.41278	35.7
824.41479	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	8.2
61.98842	33.0
70.75230	2.9
70.93237	5.8
71.01403	17.8
78.95914	4.4
80.96521	5.1
81.03425	3.0
82.95429	11.3
83.05042	3.9
84.95134	17.6
85.00444	30.9
88.01008	3.7
89.02469	3.8
98.21882	3.3
99.00822	3.9
101.02439	6.8
109.06628	4.6
111.08128	3.2
126.77814	3.0
163.11331	5.6
171.10295	9.5
179.03510	4.5
181.12350	7.2
195.13957	5.6
201.11455	5.0
207.10231	16.2
208.32372	3.2
209.11852	100.0
210.12131	7.4
225.11378	18.4
227.12961	24.8
235.08258	7.2
253.09265	19.0
291.19711	53.2
292.19962	6.3
293.21289	27.4
350.33511	3.2
370.84705	3.5
527.28772	5.4
737.40228	4.0
755.41962	7.9
823.40656	4.8
857.60504	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67813	1.1
59.01385	10.9
61.98851	1.6
65.67558	1.1
66.48387	0.9
69.07746	3.8
69.08162	6.6
71.01390	5.4
73.02931	3.9
80.96521	1.7
81.03463	2.5
83.01376	1.3
88.78733	0.9
99.04530	33.7
101.02457	13.1
109.55418	0.9
113.02428	1.5
123.04561	1.6
125.02460	37.2
126.02782	1.2
143.03514	1.2
161.04503	2.8
203.05547	1.5
209.11809	4.7
227.12822	1.1
263.42828	1.0
279.17590	1.0
305.08688	4.7
309.20850	1.8
333.75690	1.2
336.01276	1.1
427.28406	1.7
441.30145	4.4
455.31393	1.0
459.31339	1.4
481.32581	1.5
485.32803	4.6
486.33167	1.4
499.34290	6.7
513.19983	1.1
517.35382	100.0
518.35767	18.7
531.37134	2.7
536.22913	1.2
559.35767	1.3
730.22913	1.2
790.38153	1.3
823.44647	5.8
847.15125	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.444
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03796	0.6
59.01382	11.8
61.98835	100.0
62.23822	0.4
71.01385	7.7
72.99353	0.5
73.02952	8.1
79.05547	0.6
81.03452	2.8
82.95432	1.4
83.01402	3.0
85.00436	1.0
85.02969	1.1
93.03471	0.3
95.01377	0.4
97.03014	0.5
97.06625	1.0
99.04527	32.0
100.04833	0.9
101.02446	14.8
113.02491	1.8
113.06092	1.0
123.04527	3.7
125.02457	31.7
126.02847	0.9
141.05652	1.2
143.03514	3.8
153.05618	0.5
161.04543	2.4
174.76219	0.4
181.01317	0.5
187.64990	0.4
203.05621	1.8
243.08910	0.4
305.08798	7.2
306.09082	0.4
323.10022	0.7
455.35345	76.3
456.35651	16.5
469.36865	4.0
470.37094	0.6
497.36404	3.7
498.36469	0.7
617.40533	1.2
717.46008	1.5
718.46173	0.5
761.44904	19.1
762.45135	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00615	1.4
58.13769	1.1
59.01387	44.5
69.18411	1.4
69.24487	7.2
71.01389	24.7
72.99298	1.9
73.02947	2.2
83.01395	2.0
85.02953	5.1
87.00874	1.2
89.02460	27.3
89.88647	1.3
95.01371	1.5
98.21773	2.4
101.02455	11.9
113.02479	8.9
119.03505	10.1
125.02435	1.6
131.03526	1.1
135.08255	1.2
137.02475	1.5
137.09727	3.7
143.03584	1.4
143.07130	1.7
155.10796	99.1
156.11115	5.7
161.04596	2.0
179.05647	7.2
193.43584	1.2
199.09773	79.8
200.10114	4.2
217.10825	3.4
300.38580	1.1
335.07990	1.3
336.72324	1.2
379.16122	100.0
380.16599	10.5
457.06778	1.3
792.21533	1.5
832.15826	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.6
62.27342	0.4
69.26582	1.7
69.26987	0.8
80.02679	1.3
81.03462	1.7
83.01380	0.6
83.05032	6.6
84.02172	2.0
85.02953	0.5
95.01366	0.5
95.05047	0.8
118.88389	0.4
123.04453	0.5
125.02462	0.5
125.06109	0.7
135.08234	0.9
137.02461	0.6
163.11314	4.4
165.12862	3.1
179.21480	0.4
181.12308	0.6
187.26743	0.4
191.05637	1.7
191.10762	0.8
209.11841	100.0
210.12154	7.2
227.12906	42.6
228.13173	3.1
259.15601	2.4
272.03351	1.1
273.04221	0.5
287.05612	2.9
288.06195	0.7
293.40033	0.5
299.09311	0.5
303.12192	0.5
312.09955	0.5
315.08853	1.1
326.08093	1.6
327.08667	0.9
330.11029	0.8
341.10291	2.1
342.10965	1.4
343.08325	0.9
345.13416	1.2
355.11899	0.7
356.12744	2.5
357.13480	2.3
358.10538	1.0
371.15176	2.1
373.12897	10.7
374.13373	1.4
388.15244	7.3
389.15668	1.4
403.17630	34.7
404.18021	5.8
415.23349	0.9
630.63562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
62.44443	38.2
65.60218	40.3
68.67036	40.8
70.64983	65.2
70.65343	100.0
111.02971	41.3
143.60501	35.9
166.75508	34.1
241.49849	40.5
613.47589	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	1.6
59.01382	34.6
59.99956	0.6
62.05169	0.7
65.86352	0.6
66.75967	0.7
69.52967	1.8
69.53373	2.0
71.01390	25.6
72.99305	1.9
73.02937	0.8
83.01364	0.7
85.02966	3.9
87.00896	1.3
89.02448	20.2
95.01396	1.9
95.05058	0.6
97.02934	1.7
101.02451	13.3
109.02959	9.1
113.02448	8.3
119.03517	7.9
121.06589	1.3
122.03706	0.9
125.02500	0.8
125.62940	0.8
125.84772	0.7
133.06627	0.9
137.06050	1.1
139.07684	0.9
147.08060	0.6
149.06110	1.0
161.04585	1.6
179.05627	2.2
187.11349	1.3
191.05586	0.9
199.11221	1.3
202.10011	1.6
204.11543	1.5
205.12323	5.6
210.79163	0.8
211.92239	0.7
217.12378	6.6
227.52182	0.7
235.13368	3.6
261.11343	5.8
262.11453	0.8
274.42419	0.7
279.12448	1.3
322.94510	0.9
331.13660	1.0
379.17368	1.1
397.18649	8.3
441.17670	100.0
442.18027	14.5
537.69629	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01700	1.3
61.98840	1.9
67.69842	0.7
69.01305	2.0
69.01711	5.6
75.00866	0.8
88.93969	0.7
91.25247	0.7
93.82780	0.6
103.00523	3.9
103.01508	59.1
104.01872	1.0
138.32973	0.7
209.11996	0.9
243.47652	0.7
277.21722	0.7
459.53406	0.8
755.48944	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62841	0.8
59.01384	100.0
61.98826	1.7
62.96799	0.8
68.14260	0.8
75.00867	1.3
79.06894	0.7
81.96987	0.8
98.22519	3.2
103.00503	5.1
103.01505	63.2
122.92607	0.9
192.96620	0.9
197.20715	0.9
219.71384	0.9
277.21732	1.5
328.05569	1.0
389.64215	1.0
739.61151	1.1
797.38928	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00606	1.2
59.01096	1.1
59.01385	20.4
61.98836	5.2
69.03449	4.0
71.01389	16.0
71.05018	1.1
72.99311	1.3
73.02947	2.2
78.95900	1.0
80.02651	1.0
81.03461	1.9
83.01411	1.8
83.05036	5.8
84.02177	1.4
85.02952	3.8
85.06627	0.7
85.30875	0.6
87.00869	4.1
89.02454	16.1
95.01380	1.8
95.05068	0.9
96.96039	1.1
97.02969	2.1
98.21793	1.0
99.00919	1.2
101.02444	12.7
102.24626	0.6
113.02457	8.2
119.03512	5.4
125.02473	6.4
131.03522	0.7
141.01923	0.6
143.03517	2.2
161.04631	2.9
163.11302	4.7
165.12910	2.7
167.10789	2.7
171.10278	0.8
177.75079	0.6
179.05663	4.3
179.10808	1.1
179.14395	2.5
181.12401	1.1
191.10817	1.1
195.13907	8.1
205.12375	7.6
209.11848	100.0
210.12155	7.3
221.06747	1.3
223.13408	75.2
224.13754	5.5
227.12885	15.9
228.13268	1.3
235.08141	4.7
261.14908	1.0
263.07727	0.7
305.08670	1.3
323.09854	1.3
350.92041	0.7
379.12473	4.8
397.13528	34.1
398.13843	3.5
415.14575	12.0
415.25558	0.6
416.15051	1.1
581.64386	0.7
603.26263	3.0
621.18964	0.7
621.27612	3.9
795.37054	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.6
61.98833	6.7
63.47807	0.5
69.06157	6.5
71.01396	0.7
75.64786	0.5
78.95896	0.6
83.01382	1.1
89.25259	0.6
98.22586	1.1
99.04518	0.9
101.02453	0.9
111.04514	1.0
121.02791	1.0
125.02442	1.8
139.03799	1.6
153.05359	0.7
161.04482	0.7
171.10205	0.7
207.44691	0.6
209.11861	2.3
214.19508	0.7
218.58339	0.7
223.13499	0.8
225.03796	2.4
232.72136	0.6
383.29626	1.7
403.26083	1.3
413.48083	0.7
449.26810	1.4
503.33853	1.0
507.31006	1.9
525.32019	100.0
526.32294	19.9
539.33411	3.2
831.41333	25.8
832.41650	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	9.1
71.07826	5.5
72.98549	2.7
73.02975	3.0
75.97182	2.8
78.98583	9.1
79.95741	49.1
80.96044	4.8
80.96523	100.0
85.02961	4.0
87.00880	6.2
94.98093	23.3
96.95995	4.0
101.02443	4.2
106.98074	6.1
109.14221	2.7
113.62482	2.9
122.97620	7.1
125.02426	6.5
134.97594	7.7
136.99097	3.4
148.99150	16.5
152.98628	13.8
164.98668	21.4
166.01080	3.1
193.94400	2.8
206.99693	6.5
221.17885	3.1
225.00749	41.5
230.93130	3.3
283.05008	4.3
409.79547	2.9
417.19455	3.1
425.15314	3.3
470.40042	3.1
537.27502	4.5
609.28937	3.5
831.49133	31.5
832.49377	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30758	11.5
73.67322	5.1
77.96048	5.1
78.95908	66.0
96.36017	5.4
96.96938	12.5
99.92614	10.2
116.92871	62.1
117.92889	17.5
152.99565	19.6
158.84900	5.6
164.74950	6.0
223.00107	7.6
241.01233	27.0
255.23318	55.9
277.21774	36.7
317.81061	5.4
322.03693	6.3
333.84650	5.8
391.22607	7.7
553.27557	8.3
786.65076	6.8
831.36182	8.8
831.50311	100.0
832.50629	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.2
61.98834	100.0
69.02764	1.5
71.01402	0.2
75.38676	0.2
77.53577	0.1
78.95914	0.4
89.69944	0.1
92.48856	0.1
150.62761	0.1
152.99628	0.1
165.41600	0.2
182.18311	0.1
200.84036	0.1
209.11932	0.3
254.01031	0.1
255.23311	0.3
273.17178	0.3
279.14917	0.1
341.23071	0.3
539.36475	0.2
620.45496	0.1
675.46106	0.2
833.37854	0.2
833.52039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	24.8
61.98827	1.4
64.67757	0.9
69.03471	1.5
71.01389	19.5
72.99316	2.3
73.02954	3.1
80.02679	2.2
80.16426	0.8
81.03471	4.0
83.01397	2.4
83.05031	9.1
84.02182	1.5
85.02959	6.7
87.00874	5.0
89.02454	15.4
93.03464	2.7
95.01460	1.2
95.05057	2.4
97.02959	10.3
97.06633	1.0
98.22600	2.5
99.00897	3.1
99.92622	1.4
101.02457	15.7
109.06599	23.1
110.03667	0.9
111.00895	1.2
111.04521	1.2
113.02449	9.9
114.94947	1.2
116.92879	3.5
119.03490	4.8
121.06677	2.0
123.04580	1.4
123.08237	1.2
125.02483	7.3
125.06038	1.2
125.09756	2.6
129.61766	0.9
134.03772	1.2
135.08186	3.5
136.05312	1.4
137.02504	0.9
141.01950	1.5
142.02744	2.7
143.03510	2.0
149.04507	1.0
151.04057	1.4
158.93948	3.1
161.04558	3.1
161.09775	2.7
163.11296	17.6
163.12550	1.5
164.11687	1.5
165.12891	2.8
171.10263	5.0
175.04015	1.0
179.05624	4.4
179.10779	1.1
181.12393	4.3
185.11853	2.0
187.09833	1.4
189.09332	1.0
191.05690	0.9
191.10837	1.4
199.13495	1.0
201.11383	1.1
207.08646	0.8
207.10274	64.3
208.10608	4.2
209.11839	100.0
210.12198	7.0
221.06662	1.9
223.13351	2.2
225.11322	32.8
226.11794	2.2
227.12886	12.8
228.13449	1.2
235.08273	3.7
243.12502	2.7
245.11862	1.0
247.13431	1.4
249.11324	1.1
251.12665	1.0
253.09326	1.3
263.12817	1.8
281.14008	1.4
287.08002	0.9
287.90717	1.0
289.07288	1.1
305.08646	1.1
379.12561	2.3
397.13538	23.5
398.14072	2.7
399.21826	3.3
407.25043	0.9
415.14545	8.1
417.22971	5.4
435.23599	1.4
605.24561	3.6
607.26465	1.3
623.25574	5.1
646.61182	1.1
653.95367	1.0
787.37152	1.3
797.36047	9.6
798.36212	4.0
815.37354	16.9
816.37708	5.5
833.38202	32.1
834.38501	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01100	1.4
59.01384	27.1
61.98833	37.5
64.41398	0.8
71.01373	4.5
73.02937	3.6
78.95911	1.6
81.03453	2.6
81.97623	1.0
83.01399	1.5
85.02960	1.3
96.09273	1.0
99.04523	31.7
100.04858	1.2
100.70971	0.8
101.02449	12.2
108.28680	0.7
109.06590	1.0
113.02460	2.0
123.04497	1.6
125.02455	39.1
131.52451	0.8
132.27985	0.8
134.66177	0.9
135.33592	0.9
143.03482	2.3
152.99570	0.9
161.04527	2.4
194.93211	0.9
197.79654	0.8
203.05685	1.4
209.11917	1.3
255.23306	1.5
305.08798	8.5
342.94891	0.9
407.29761	0.9
453.34116	1.0
467.31680	100.0
468.32001	17.7
481.33051	4.4
482.32886	1.1
485.32660	7.4
486.32715	1.6
509.32333	5.7
510.32501	1.2
527.33771	5.6
528.33795	1.1
645.27173	1.0
773.40839	2.6
833.41199	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.519
Annotation	Phosphatidylinositol(34:2)
Peak:m/z	Relative Intensity
59.01390	2.3
71.02847	2.0
72.52958	1.4
78.95910	86.9
80.96525	3.7
83.75520	1.3
90.76524	1.2
96.96977	19.1
117.12356	1.3
131.94559	1.3
151.75830	1.3
152.99574	23.3
214.42213	1.3
223.00084	9.5
231.75499	1.4
241.01216	37.7
255.23317	73.8
256.23685	8.7
259.02258	3.3
277.22086	1.4
279.23322	58.1
280.23703	5.6
297.03821	2.6
315.04913	1.6
391.22607	9.3
415.23184	1.9
463.73102	1.6
533.24091	1.3
553.27710	9.0
680.24390	1.5
833.51788	100.0
834.37134	2.4
834.52075	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.1
61.98835	100.0
62.98533	0.2
69.63866	0.2
69.64281	0.2
71.01392	0.1
74.80051	0.1
76.01077	0.1
76.42386	0.1
78.95904	0.1
98.22546	0.1
102.52072	0.1
116.92899	0.2
118.71915	0.1
125.02458	0.1
153.28401	0.1
167.36096	0.1
209.11916	0.3
293.32898	0.1
308.77774	0.1
325.13373	0.1
341.23370	0.2
408.23877	0.1
415.03641	0.1
774.98004	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	0.4
61.98836	100.0
69.00994	0.6
69.01393	2.9
69.53594	0.3
71.01385	0.4
78.91895	0.5
78.95939	0.4
98.22545	0.5
112.89642	0.3
116.92850	0.4
117.59490	0.3
143.66893	0.3
197.11925	0.3
209.11867	0.7
234.92648	0.3
281.38232	0.3
304.47989	0.3
363.50739	0.4
513.47864	0.3
514.17413	0.3
533.65210	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10712	1.0
59.01385	20.2
69.20811	8.0
71.01385	12.2
72.99319	1.8
82.19204	1.2
85.02969	3.2
89.02441	10.4
95.01359	1.6
99.18219	1.1
101.02457	7.6
107.03756	1.5
108.04562	3.9
113.02428	4.0
119.03490	2.8
121.05254	1.5
122.06133	7.8
124.03120	1.5
124.04050	30.5
125.02405	2.2
130.02998	2.5
132.04570	8.5
133.05365	11.2
134.06128	19.7
136.07672	14.2
146.06071	1.4
148.07693	100.0
149.07083	9.6
149.08191	2.8
150.05669	3.5
152.07169	5.8
158.02469	12.3
160.04031	4.2
165.01910	1.1
176.03493	1.7
177.21077	1.6
190.05103	49.9
191.05550	2.2
192.06664	13.2
194.45201	1.2
204.06696	1.4
244.08513	3.0
245.09227	1.1
256.85556	1.4
257.09335	29.4
258.09750	2.0
263.08292	1.6
273.12439	12.2
277.09644	2.3
279.11295	2.8
291.07800	4.3
299.10397	1.6
305.09302	2.3
306.10220	1.6
307.10852	1.9
309.08871	2.4
309.12128	1.6
314.12354	2.9
316.10635	16.9
317.11438	33.6
318.11609	3.5
323.10400	7.3
337.11993	17.4
338.12631	7.9
339.13394	1.9
517.18280	84.6
518.18823	20.1
519.19904	7.7
553.03088	1.2
666.26392	2.4
678.22937	3.6
679.24103	1.7
710.25745	4.2
759.28369	4.0
763.28223	2.1
791.31189	1.4
803.27844	42.9
804.28351	11.9
835.30389	22.4
836.30896	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	0.5
59.01385	10.0
61.12870	0.4
66.27901	0.4
69.03457	0.6
71.01387	7.4
72.99337	0.5
73.02927	1.5
80.02692	1.0
81.03461	2.1
83.01389	1.0
83.05036	6.2
84.02165	1.3
85.02950	2.6
87.00890	1.6
89.02452	8.3
89.46050	0.4
95.01408	0.7
95.05038	1.0
97.02953	1.2
98.22572	0.8
101.02449	6.7
113.02465	3.7
119.03510	1.2
125.02448	2.5
125.06077	1.1
125.09812	0.4
131.03514	0.4
135.08205	0.9
143.03532	1.4
161.04591	1.3
163.11327	4.1
165.12862	2.6
167.79102	0.4
171.10292	1.0
179.05594	2.5
181.12346	1.3
191.10811	1.3
199.13454	0.6
209.11848	100.0
210.12175	7.4
221.06667	0.7
227.12910	15.7
228.13228	0.9
235.08246	2.4
247.13412	0.9
251.12886	0.7
287.07782	1.1
299.71063	0.4
305.08896	0.6
323.09366	0.4
331.43631	0.4
379.12418	2.2
397.13553	17.4
398.13953	1.8
415.14597	5.7
416.14844	0.7
419.24640	0.6
607.26398	0.8
799.37909	1.4
810.72693	0.4
835.39728	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.398
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	0.5
59.01388	9.4
65.89397	0.2
69.02473	0.5
69.02879	2.0
69.03457	0.8
71.01389	8.3
71.05051	0.2
72.31489	0.2
72.99322	0.6
73.02951	1.5
80.02682	1.4
81.03460	1.9
81.29523	0.2
83.01394	1.1
83.04533	0.3
83.05037	6.0
84.02173	1.0
85.02956	1.4
87.00887	1.9
87.76020	0.3
89.02456	7.1
91.75519	0.2
93.03481	0.3
95.01398	0.7
95.05042	0.9
97.02950	1.2
97.06594	0.2
98.21798	0.4
99.00882	0.5
101.02463	5.9
109.02937	0.3
109.06580	0.5
113.02463	3.0
119.03510	1.8
125.02474	2.8
125.06113	0.7
125.09802	0.4
127.11287	0.2
131.03476	0.6
135.08189	0.6
139.04042	0.3
143.03502	1.4
149.09750	0.3
159.52209	0.2
161.04604	1.6
163.11301	4.1
164.11632	0.3
165.12845	2.4
171.10297	0.8
179.05606	1.8
181.12373	0.5
191.10768	0.9
199.13350	0.3
209.11847	100.0
210.12187	7.5
217.07233	0.4
221.06676	0.8
223.13522	0.3
227.12904	14.2
228.13217	0.8
235.08246	2.4
247.13397	0.9
251.12952	0.3
253.09216	0.6
259.08499	0.2
263.07593	0.5
265.14471	0.3
287.07785	0.8
305.08804	0.9
323.09900	0.4
379.12546	1.6
395.50104	0.2
397.13528	17.5
398.13846	1.3
415.14627	4.9
416.14850	0.4
419.24280	0.4
533.39954	0.3
589.25604	0.3
607.26044	1.0
644.06873	0.3
708.81311	0.3
799.37982	0.6
817.38098	0.4
835.39911	0.4
844.77692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	26.4
61.98828	7.6
69.88718	4.0
71.01377	3.4
82.95412	1.8
83.01391	1.3
85.00453	0.9
98.21859	2.0
99.04529	11.4
101.02456	7.6
105.21672	1.2
108.94783	0.9
113.02441	2.2
118.72240	1.1
121.47632	1.0
123.04514	1.4
125.02465	11.3
143.03577	1.1
146.70929	0.9
150.81824	1.0
161.04556	2.6
181.12370	1.0
197.11790	3.7
203.05663	1.2
253.09346	1.5
267.62939	0.9
289.18079	11.0
291.19824	2.6
297.11053	1.2
305.08734	10.1
306.09033	1.4
309.20667	4.7
382.28464	1.5
426.19879	1.1
469.33261	100.0
470.33539	20.3
483.34540	1.5
529.35254	13.0
530.35614	2.5
543.32483	1.3
571.36981	2.6
621.69952	1.1
691.40680	16.4
692.40900	4.4
733.41681	6.4
734.42065	1.4
835.44537	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.0
61.98833	45.9
69.11514	9.3
71.01381	5.2
73.02947	2.7
80.96539	4.5
81.03456	2.1
83.01397	1.4
85.00469	1.2
85.02983	1.0
88.98824	1.9
96.96046	2.5
98.21812	1.9
99.04531	27.8
100.94188	0.9
101.02454	9.2
113.02425	1.8
123.04571	1.2
125.01538	2.0
125.02455	34.3
142.01869	1.0
143.03462	1.2
161.04565	2.1
165.80409	0.9
203.05515	1.4
209.11848	0.9
214.75421	1.0
225.11346	1.1
260.59711	1.1
285.46970	0.9
305.08850	6.5
388.97232	1.0
453.33246	1.1
467.31677	100.0
468.31915	15.4
481.33282	7.1
482.33591	1.6
491.31033	1.3
509.32620	6.8
632.12036	1.1
729.42151	2.4
773.41412	12.3
774.41534	4.5
837.42419	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.3
59.99394	0.1
61.98833	100.0
69.06523	1.2
69.06930	0.4
71.01402	0.3
76.20065	0.2
78.87207	0.2
80.96527	0.4
84.63986	0.2
90.06160	0.2
96.96037	0.5
98.22272	0.7
116.92900	0.2
125.02493	0.2
185.11786	0.2
191.05661	0.3
209.11909	0.7
210.12172	0.2
227.12961	0.2
307.19141	0.3
315.11450	0.2
325.20294	0.2
836.38586	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39187	0.1
61.98836	100.0
62.85916	0.1
62.98534	0.2
66.91870	0.1
69.95931	0.1
70.32241	0.1
70.91910	0.2
80.96518	0.1
86.50372	0.1
112.06175	0.1
161.53481	0.1
173.78912	0.1
270.70654	0.1
278.22284	0.1
377.81839	0.1
630.89880	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.2
61.98839	6.3
69.03451	1.0
71.01389	4.4
71.31635	1.3
77.70836	0.7
78.24912	0.6
78.91890	1.3
78.95879	1.1
82.95404	0.7
85.00421	1.0
85.02936	1.2
85.48434	0.6
87.00858	1.2
88.98809	1.3
89.02435	3.1
96.96003	3.0
96.96957	1.0
97.02974	0.9
99.04539	2.4
100.40160	0.7
100.56023	0.9
101.02440	4.2
103.01431	0.7
109.06561	1.1
111.08174	8.4
112.08525	0.7
113.02444	2.2
119.03567	1.1
125.02418	2.4
161.04573	1.8
163.11365	1.0
169.12294	4.1
171.10268	1.0
181.12360	1.7
183.13849	1.1
197.11841	52.3
198.06047	0.7
198.12137	3.3
199.13451	3.4
205.45364	0.7
211.13438	7.1
212.13591	1.2
214.55557	0.7
227.12885	1.8
233.33022	0.7
235.08188	2.1
247.20641	0.9
253.09308	23.5
254.09688	1.8
263.20248	3.6
265.18140	1.9
273.18356	1.3
291.19659	26.6
291.22943	1.4
292.20035	2.8
299.07388	0.7
305.08890	1.8
309.20731	100.0
310.21048	12.2
469.33160	6.1
527.28717	1.1
541.72290	0.8
545.29718	3.1
601.41034	2.0
775.42938	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	28.9
60.34065	5.8
61.98837	20.4
66.02958	5.3
68.98302	5.6
71.01394	16.9
72.37373	5.9
77.59805	4.8
78.08604	6.2
83.01363	6.1
88.98822	5.4
89.02466	7.9
95.05039	6.5
96.96027	51.0
98.22546	12.0
101.02444	13.7
111.08183	23.5
113.02454	12.5
125.09709	7.9
161.04599	7.9
163.11295	11.2
167.10828	7.8
171.10341	9.7
185.11905	13.9
185.26390	6.5
191.14479	7.4
194.97534	5.7
195.13928	18.5
197.11862	52.0
201.11368	14.6
205.12433	6.3
205.26697	5.8
209.11880	20.2
211.13374	7.0
223.13358	15.4
245.19202	9.5
253.09328	27.8
255.23334	10.4
275.20215	11.7
277.21646	11.2
289.18112	56.0
291.19705	93.2
292.20053	9.0
293.21280	100.0
294.21640	13.4
307.19095	26.5
308.19562	8.0
309.20660	40.2
446.57944	5.3
487.56540	6.0
528.50372	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.7
61.98832	32.7
65.54094	3.7
66.30318	3.8
71.85915	3.8
76.70000	4.2
91.08376	4.6
96.95926	3.6
99.04537	18.3
101.02449	5.5
122.60854	4.1
125.02444	24.2
126.39567	3.8
144.94276	3.8
161.24631	4.3
184.38309	4.4
277.42807	4.4
362.61813	4.0
389.78406	4.3
469.33209	100.0
470.33594	19.3
579.51196	4.4
775.43158	21.9
776.43195	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	12.3
59.01630	2.8
60.50855	2.2
61.98521	4.0
61.98834	78.5
63.05573	2.1
71.01389	13.5
73.02952	6.1
79.95734	3.0
80.96533	6.5
81.03462	3.3
82.95399	5.0
83.05029	2.4
85.02929	2.4
89.02489	3.6
96.96001	3.3
98.21819	6.3
99.04529	39.4
101.02481	13.9
113.02446	4.9
119.03498	3.0
123.04533	3.3
125.02453	48.4
156.10213	2.6
161.04527	3.9
171.10289	6.8
207.10271	4.6
209.11862	5.4
211.13376	8.9
221.11795	2.9
225.11322	2.5
253.09274	11.4
291.19751	2.8
293.21207	31.1
305.08777	7.0
309.20612	4.5
311.59229	2.6
327.21823	28.6
439.32254	36.7
440.32480	6.2
446.48642	2.8
453.33792	2.9
469.33249	100.0
470.33661	17.9
563.30554	3.8
775.42792	16.5
776.41400	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.9
61.98835	75.5
71.01373	5.9
71.08646	8.2
73.02950	7.4
73.52317	4.3
77.08746	4.2
81.03481	5.2
99.04540	43.3
101.02469	13.6
123.04544	5.0
123.85284	4.2
125.02472	47.6
143.53374	4.7
161.04535	4.5
305.08902	5.5
469.33261	100.0
469.39618	8.1
470.33594	19.4
483.34589	6.7
511.34790	5.5
516.88068	4.6
775.42706	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.5
60.99315	1.4
61.98833	25.7
63.75018	1.4
71.01387	7.1
71.08345	1.0
72.01730	1.0
73.02953	2.8
81.03452	3.2
85.02962	2.2
87.00903	2.1
88.98814	4.4
89.02454	2.4
99.04526	44.0
101.02453	13.7
107.82755	1.2
111.08177	9.6
112.08521	2.1
113.02465	4.2
125.02456	56.2
143.03520	4.8
161.04564	3.8
169.12387	3.7
193.62679	1.2
197.11845	55.6
198.12161	15.8
199.13379	1.8
211.13429	8.0
212.13812	1.7
227.12946	1.6
228.13225	1.3
229.48772	2.4
235.08301	1.3
236.08473	1.2
253.09297	15.5
254.09624	3.1
260.76730	1.3
263.20203	2.1
265.18158	1.4
273.18665	1.6
291.19736	15.7
292.20139	8.2
305.08783	9.0
309.20731	56.9
310.21063	29.9
356.10916	1.4
425.34277	4.2
432.25659	1.1
469.33264	100.0
470.33560	16.9
483.34842	2.6
511.34369	3.7
621.59534	1.3
631.37927	1.3
731.43884	4.4
732.45862	1.3
775.42358	6.9
776.42767	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	14.0
60.25697	2.3
61.98837	53.5
65.56824	2.6
69.61997	8.8
71.01382	9.3
73.02948	5.0
80.91689	3.9
86.67478	2.2
96.96022	8.0
99.04527	29.9
101.02451	13.8
102.02750	2.5
111.08186	5.2
113.02455	4.2
125.02470	33.5
143.03497	3.9
161.04623	3.5
164.78473	2.3
193.73874	2.5
197.11867	25.3
198.12202	7.3
207.99646	2.5
211.13496	2.7
253.09401	10.5
291.19699	8.1
292.20056	5.0
305.08856	8.5
309.20724	31.7
310.21124	17.0
358.63077	2.3
458.56482	2.5
469.33237	100.0
470.33710	12.8
483.34821	3.2
486.40280	2.5
492.26840	2.4
511.34216	3.8
775.43256	13.2
776.42761	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78532	0.3
60.65731	0.3
61.98836	100.0
65.27528	0.4
70.47901	0.6
76.68793	0.3
78.80365	0.3
78.95911	1.3
84.34039	0.3
89.10940	0.3
90.13301	0.3
102.14493	0.3
117.76477	0.3
124.50120	0.3
138.16553	0.3
179.89316	0.4
196.89639	0.5
204.34100	0.3
279.23395	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	51.7
64.76003	1.8
70.94412	3.2
71.01389	47.7
72.99312	3.7
73.02952	12.4
81.03406	1.7
83.01389	3.8
83.05019	2.6
83.58157	1.4
84.05768	1.3
85.02971	11.2
87.00878	17.9
89.02454	59.2
93.03461	25.7
94.03774	2.1
95.01386	4.7
97.02969	2.3
99.00873	3.1
99.04501	3.0
101.02446	42.5
101.03121	2.1
111.04499	4.9
113.02463	21.4
119.03508	8.4
125.02444	8.5
125.15031	1.5
128.31203	1.4
129.02023	2.2
131.03494	4.2
137.02467	9.7
141.01976	2.0
143.03490	11.3
143.56531	1.6
143.86812	1.7
155.03459	3.6
161.04588	12.1
173.04509	7.1
179.05617	32.9
203.05598	4.1
221.06670	15.1
222.07108	2.8
235.08052	1.8
263.07822	1.9
277.34845	1.6
281.08838	3.1
323.10025	2.9
335.09915	3.3
335.13489	3.4
341.10913	21.6
342.11237	1.8
383.11938	60.5
384.12317	3.9
425.13284	2.0
443.14157	13.0
485.15231	13.5
503.16171	9.7
665.21509	100.0
666.21796	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	48.3
68.99591	8.9
69.03451	2.0
71.01385	53.6
72.99300	3.4
73.02950	13.1
81.03466	1.7
83.01379	3.4
83.05035	2.7
85.02957	10.9
87.00878	15.6
88.98801	1.2
89.02451	51.3
93.03465	18.9
95.01388	2.9
96.95977	1.9
97.02972	3.4
99.00878	3.4
99.04527	1.8
101.02451	36.3
109.02932	2.8
111.04523	4.4
113.02460	22.8
115.04089	1.0
119.03503	11.3
125.02460	6.0
125.03259	1.0
131.03479	4.1
131.08246	3.0
137.02451	6.2
141.01967	1.0
143.03514	7.9
149.04578	1.2
155.03528	1.9
159.79581	1.0
161.04585	7.8
173.04585	4.6
179.05629	32.6
180.05862	1.6
203.05620	3.2
217.42755	1.0
221.06706	13.5
222.07010	1.3
235.08194	1.3
249.04146	1.1
281.08881	1.7
323.09790	2.8
335.09521	1.3
341.07080	1.9
341.10901	22.9
342.11295	2.4
343.17065	1.0
383.11966	62.0
384.12436	2.9
413.13040	1.4
425.13095	2.3
443.14124	12.1
485.15158	16.5
486.16183	1.1
503.16104	4.8
665.21490	100.0
666.21936	17.0
750.96539	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	0.6
67.53669	0.3
70.92694	0.4
72.69898	0.3
76.48062	0.3
79.88497	0.3
83.71824	0.3
84.95139	0.4
85.00435	0.8
98.21813	0.3
99.92591	14.1
100.92622	1.0
114.93452	0.9
116.92871	100.0
117.01945	0.5
117.92883	5.8
172.55988	0.3
197.93121	0.3
200.04440	0.3
277.21704	0.6
327.43918	0.3
334.52301	0.3
403.92880	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.3
61.67113	3.1
61.98838	100.0
70.90646	3.3
71.01387	4.7
80.96538	4.0
83.05043	5.1
91.77287	3.3
98.22524	8.9
101.02456	4.5
112.58330	3.6
125.02422	5.1
144.66176	3.4
165.01785	5.0
171.10312	9.6
191.05559	4.8
197.11827	3.9
209.11850	80.9
227.12886	12.6
253.09315	11.4
289.18109	5.3
290.80695	3.8
307.19095	34.6
325.20297	12.9
327.21841	4.0
518.72272	3.7
543.27917	11.2
646.89752	4.4
666.33337	4.9
735.39319	11.4
753.40747	11.9
771.41266	9.7
839.40765	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.438
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	0.4
71.32347	0.3
75.15657	0.2
76.83512	0.2
82.95440	1.0
86.04941	0.2
91.52491	0.2
96.96054	0.4
104.44266	0.2
109.02966	6.6
109.03718	0.4
121.02996	0.7
122.03735	1.2
122.18487	0.3
123.04552	1.3
125.02461	4.6
135.04538	0.6
137.02452	29.5
138.03273	7.9
139.04015	0.8
140.01241	0.4
149.06090	4.2
151.04103	0.3
152.04843	1.6
154.02718	0.6
164.04819	0.8
165.05553	1.3
166.06342	0.4
170.02242	1.6
177.09248	0.3
179.07147	2.0
184.03737	0.6
193.08826	0.5
205.08704	0.8
209.11845	0.5
309.20667	0.5
315.12354	2.8
315.15646	0.3
329.13812	0.5
330.14755	36.1
331.15085	4.2
344.16260	0.5
345.17090	100.0
346.17416	12.1
493.26141	0.7
628.58112	0.2
757.56549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	12.1
61.98833	66.9
71.01385	5.1
73.02954	5.0
81.03474	2.5
83.01398	1.6
85.00450	2.7
85.02989	1.6
99.04531	34.8
101.02441	12.1
113.02417	2.0
117.04826	1.3
123.04507	4.0
125.02457	37.4
143.03523	3.0
169.92229	1.3
171.10199	1.8
225.11481	1.8
305.08890	7.2
459.02509	1.7
471.34808	100.0
472.35196	19.5
485.36444	4.3
513.36407	2.8
527.49707	1.4
553.62280	1.5
682.27234	1.4
733.44946	3.4
777.44391	28.1
778.44684	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
61.98826	0.6
64.72659	0.3
69.41598	0.3
73.02954	1.2
75.00869	1.3
98.21738	0.7
99.00868	0.6
99.92598	13.2
100.92635	0.8
114.93375	0.5
116.92873	100.0
116.97231	0.7
117.01929	2.3
117.92884	5.9
121.03200	0.3
149.86299	0.3
178.10208	0.3
193.21126	0.3
196.04625	0.3
203.77673	0.3
209.11848	0.4
211.13464	0.3
269.15088	0.3
411.07294	0.4
493.25970	0.3
656.44617	0.4
761.67511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20834	1.5
69.21272	2.1
73.02943	1.4
75.00869	0.9
82.95428	1.0
99.92593	11.3
114.93396	0.7
116.92873	100.0
116.97256	0.8
117.01949	1.7
117.92876	5.6
197.51393	0.4
239.06433	0.4
277.82761	0.4
371.79913	0.4
415.76080	0.4
595.50891	0.4
727.11310	0.5
823.19476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	25.1
71.01391	6.6
80.91695	18.4
98.21703	8.7
99.04525	46.2
99.92569	6.8
101.02457	15.9
101.99636	6.3
118.25250	5.7
121.02703	24.1
125.02446	43.7
139.03799	22.7
153.05316	12.1
161.04536	12.5
181.04883	11.3
183.02745	23.7
201.78574	6.3
225.03831	100.0
228.95363	9.8
255.04857	15.0
268.52457	6.5
305.08746	16.9
453.33765	55.7
454.33713	13.2
518.92383	6.7
617.63635	6.9
680.54309	7.4
709.38336	7.3
759.43439	10.5
781.41553	19.0
816.52136	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.9
61.98834	6.6
63.53122	6.1
69.96182	6.8
71.01386	11.2
71.31716	14.4
76.48743	7.0
91.86568	6.5
92.94537	6.6
101.02461	8.1
101.27620	7.4
123.04546	9.1
125.02470	15.8
133.83177	6.6
137.02451	17.2
145.23080	7.7
151.04042	7.5
160.73410	6.0
165.12801	9.7
165.33176	7.3
171.10295	17.2
201.11456	16.9
207.10172	7.2
209.11844	100.0
210.12131	7.8
227.12871	27.1
235.08232	19.6
253.09261	28.7
309.20752	10.3
325.20236	9.0
327.21729	63.3
328.22272	10.0
401.89951	9.7
445.20880	11.2
477.28598	7.3
789.69208	8.9
841.43762	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
63.89170	28.9
70.83151	87.5
70.83536	39.9
116.92847	100.0
117.92895	43.9
127.71082	32.6
135.48080	29.3
207.74284	32.2
293.21219	85.9
301.49036	28.9
359.28067	30.5
532.10876	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45972	1.0
71.32254	1.7
119.05048	1.7
168.17308	1.2
205.81151	1.0
211.04234	1.2
213.89221	1.1
227.03511	22.2
228.03894	1.5
255.02998	45.6
255.05737	2.5
256.03482	7.0
284.03290	82.0
285.03888	15.9
302.94107	1.1
411.09305	1.3
563.14105	100.0
564.14606	13.1
640.68207	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01091	2.2
59.01381	38.6
59.87394	1.2
71.01389	23.3
71.29764	1.6
71.30220	2.4
72.99306	2.3
73.02949	2.3
74.82317	1.5
83.01395	1.8
85.02962	5.0
89.02457	22.6
101.02456	11.1
113.02457	10.3
119.03504	8.6
125.02472	2.0
137.09750	4.0
143.18338	1.4
155.10791	91.8
156.11108	4.5
160.05115	1.7
161.04558	1.8
173.04521	1.7
179.05612	2.8
182.42059	1.3
191.05600	4.8
191.98875	1.4
199.09767	73.2
200.10139	2.2
217.10780	2.5
285.08963	1.3
321.53601	1.4
322.32874	1.3
362.16055	1.4
379.16125	100.0
380.16425	10.3
455.31339	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.3
66.95912	2.5
70.19753	2.5
70.20104	0.7
73.74890	0.7
82.95426	100.0
99.04524	1.2
103.01535	0.9
106.14367	0.8
106.75282	0.7
125.02446	1.9
199.32996	0.7
200.64323	0.8
201.70007	0.7
236.70450	0.7
453.33823	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	12.3
69.07381	1.3
69.07774	9.1
71.01385	12.2
72.99316	1.3
73.02953	2.3
83.01408	2.2
85.02955	4.9
87.00850	1.9
89.02445	4.9
93.03435	1.1
98.22520	2.0
101.02458	5.6
113.02448	2.5
119.03542	1.3
125.02468	1.9
161.04483	1.4
177.22150	0.9
185.11797	1.5
238.55930	1.0
309.24307	1.5
321.24460	1.7
327.25436	4.0
339.25293	5.4
357.26492	7.0
489.30609	1.3
501.30621	7.7
502.31049	1.3
503.32629	1.6
519.31757	17.5
520.32129	2.1
663.35736	13.7
664.36200	3.3
681.37048	100.0
682.37360	21.2
843.42334	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.5
63.02405	2.4
65.00327	15.6
68.58808	0.9
69.42007	4.0
71.01392	2.0
71.46171	0.9
82.57914	0.9
83.01394	7.6
89.02439	1.6
101.02454	1.2
107.01408	23.5
109.02962	1.3
119.03495	1.5
123.04527	9.6
124.01660	1.6
125.02464	13.0
133.02975	3.4
134.07516	1.1
135.02164	1.0
135.04547	3.0
149.02443	2.3
150.03235	6.7
151.00383	100.0
151.04013	22.9
152.01128	7.4
152.04317	1.4
155.10794	7.0
159.04691	1.2
169.01370	1.8
171.04478	1.3
175.04103	1.8
177.01865	1.3
178.99908	8.0
185.06114	1.0
199.03987	2.2
199.09793	5.6
201.02034	1.4
213.05544	1.2
241.05046	2.1
285.04062	64.1
286.04376	6.2
289.07037	0.9
303.05133	4.1
339.07327	2.6
353.42743	1.1
379.16162	10.2
391.85538	0.9
420.55124	1.0
465.10425	84.7
466.10825	12.7
524.34692	1.1
632.03564	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01101	1.0
59.01383	14.8
71.01388	10.8
71.29724	0.7
72.99309	0.7
73.02940	0.5
83.01367	1.0
85.02944	2.1
87.00854	0.7
89.02451	10.1
93.03420	0.5
95.01414	0.8
96.96000	0.5
99.08163	9.9
101.02452	6.7
102.90997	0.4
108.02182	2.9
109.02991	0.4
113.02458	3.4
119.03524	3.4
120.56852	0.4
123.04549	2.6
125.02448	3.4
127.07615	2.7
129.09242	1.4
141.09224	1.0
145.08714	35.7
146.09047	1.6
151.03969	0.6
153.31740	0.5
177.01924	0.6
179.05638	0.6
187.09802	1.1
191.05563	0.7
201.40601	0.4
217.04935	0.5
221.08211	2.5
263.63385	0.5
306.38992	0.5
307.14001	100.0
308.14346	9.0
308.17664	0.8
345.13327	3.1
413.24945	0.5
507.18680	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	11.0
62.92775	0.4
69.56641	2.0
70.06087	0.4
71.01387	10.6
72.99313	1.1
73.02958	1.1
79.54382	0.4
83.01394	1.3
85.02954	2.7
87.00900	0.8
89.02454	4.1
95.01412	0.9
101.02450	4.5
113.02452	3.1
119.03510	1.1
125.02381	0.7
198.95914	0.5
236.79161	0.5
246.49661	0.5
313.23911	1.9
341.26962	3.5
342.27432	0.5
342.45444	0.5
349.97888	0.4
359.28088	6.6
360.28308	0.7
373.29709	0.6
423.17850	0.5
503.32318	3.8
521.33295	9.7
522.33966	1.5
588.23389	0.5
665.37592	13.4
666.38196	2.3
683.38599	100.0
684.38916	20.7
756.32733	0.5
767.86420	0.5
854.87115	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50016	5.4
70.50341	11.7
71.01365	7.9
73.10056	4.6
77.31064	4.7
78.98608	8.5
79.95724	19.3
80.96526	100.0
87.00896	7.6
94.98092	22.7
96.28931	4.4
96.85603	5.3
98.22463	5.6
144.87608	6.5
148.99127	5.9
152.98592	7.0
158.46597	5.0
164.98634	18.6
199.76012	4.9
224.74005	5.1
225.00737	27.4
287.76910	5.5
304.61365	6.4
327.55688	5.3
485.92715	4.9
532.05145	4.8
845.47412	63.8
846.46930	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.2
61.79858	0.6
63.96227	2.2
66.40926	0.6
69.03490	1.0
71.01385	9.1
73.02945	2.1
73.41487	0.6
78.98593	8.3
79.95743	22.4
79.96215	1.1
80.96524	100.0
81.03471	1.1
82.96105	2.6
83.26934	0.7
85.02945	4.2
87.00880	3.3
94.98094	20.5
95.01376	0.7
96.96035	1.5
97.02972	2.0
97.35190	0.7
101.02460	3.0
106.98074	4.4
122.97581	3.8
125.02469	2.4
127.04110	1.0
128.72081	0.7
134.97580	5.8
136.99174	1.6
148.99153	6.4
152.98643	5.9
157.56490	0.7
164.98611	10.3
164.99847	0.9
180.74611	0.7
206.99771	1.7
225.00772	14.1
226.00945	0.9
312.25461	0.8
391.79672	0.8
434.69397	0.7
537.27820	1.7
591.25055	1.2
656.25671	0.8
847.48785	77.2
848.49158	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
62.19356	2.8
62.37997	3.3
71.01389	4.8
71.19811	3.8
79.95757	8.1
80.96523	39.0
94.98096	10.7
104.05719	2.6
111.48333	3.0
134.97591	4.7
148.99246	4.5
152.98601	3.5
164.98706	5.0
187.27448	2.8
225.00850	8.2
269.59222	2.8
454.91992	3.0
460.93158	2.7
590.99683	3.3
847.48895	100.0
848.49298	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	19.9
69.03457	6.4
71.01389	18.8
71.05029	1.6
71.32378	1.8
72.99310	2.3
73.02959	3.9
77.19985	1.2
81.03477	3.1
83.01405	3.9
83.05035	6.2
84.02185	2.5
85.02962	4.3
87.00887	3.6
89.02464	9.7
95.01387	1.6
96.95993	1.2
97.02985	3.5
97.06617	1.3
99.00900	2.9
101.02444	9.7
107.04987	1.8
108.02169	1.4
109.03023	2.2
113.02477	4.7
115.00413	1.4
119.03532	2.7
121.02882	1.3
123.04537	3.8
123.08173	1.3
125.02460	11.2
125.09700	2.4
128.03543	1.6
131.18866	1.2
151.04047	1.6
151.11333	2.5
161.02489	2.1
161.04597	1.6
161.09729	3.7
163.11252	6.1
165.12892	2.1
167.03474	1.6
171.10255	2.0
175.02492	2.3
179.10785	7.4
191.05780	1.6
197.11835	43.9
198.12198	3.3
207.10278	2.1
209.11838	64.2
210.12242	5.3
221.06709	1.5
223.09772	3.1
225.11502	1.4
227.12895	4.9
235.07962	1.2
241.10793	4.7
289.07309	2.9
317.06592	1.2
392.45410	1.3
392.50494	1.3
397.13690	4.2
579.40417	1.2
849.37598	100.0
850.37909	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.5
60.99311	20.6
69.10309	6.4
71.01374	1.0
73.02944	1.7
81.03436	0.8
83.01377	1.0
88.98814	100.0
90.90614	0.7
98.22505	1.7
99.04540	8.6
101.02435	4.5
123.04570	0.8
125.02449	9.1
148.86577	0.7
276.25824	0.8
305.08749	2.8
350.35364	0.7
453.33755	27.2
454.34094	4.8
467.35416	2.2
495.34918	1.5
602.32062	0.8
715.44312	1.2
759.43256	6.0
760.43219	1.8
834.76373	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.98545	0.2
71.01395	0.3
71.31690	0.1
80.49106	0.1
80.96524	0.2
96.96027	0.1
112.66023	0.1
125.02455	0.2
209.11917	0.4
490.02264	0.1
537.45465	0.1
764.83466	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
60.73686	0.1
61.98835	100.0
62.98531	0.2
67.37414	0.1
71.01433	0.2
78.91920	0.4
79.95746	0.2
80.91679	0.2
80.96528	0.6
94.98142	0.2
95.72390	0.2
171.10289	0.2
185.74800	0.1
191.05630	0.2
209.11850	0.4
225.00719	0.2
291.19592	0.3
293.21674	0.2
391.63022	0.1
827.52429	0.2
851.41718	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
61.98834	100.0
62.98539	0.3
66.34922	0.3
71.01392	0.7
78.95911	0.3
81.98946	0.2
94.92574	0.3
96.96033	0.8
98.22672	0.4
125.02452	0.3
135.68565	0.2
171.10313	0.5
209.00073	0.2
209.11885	1.3
225.11380	0.6
307.19278	0.4
332.97897	0.3
396.22137	0.3
422.27600	0.3
465.58289	0.3
490.58408	0.3
547.86243	0.3
632.69257	0.3
672.93652	0.3
673.92761	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.7
62.63026	2.0
71.01376	6.9
81.03454	6.6
83.01405	11.8
89.02460	8.7
93.03475	3.8
95.01384	2.9
95.05053	7.1
97.02955	5.7
101.02426	5.2
104.69519	2.1
107.05042	2.5
109.02956	28.2
113.02482	2.9
119.03523	2.6
121.02966	5.6
123.04538	15.6
125.02458	73.0
126.02768	3.2
126.88072	2.0
131.04977	2.1
135.00899	3.4
135.04497	3.6
137.02446	34.9
139.04028	4.5
145.02950	3.4
149.02432	6.9
151.04013	13.2
155.12494	2.1
159.04532	4.3
161.02426	7.7
161.06073	4.9
161.94676	2.4
163.00401	27.6
163.04001	5.1
164.01176	14.3
165.01941	15.7
167.03471	7.3
173.06125	3.1
174.06450	2.3
175.04021	5.7
175.07565	3.0
177.01950	11.2
179.03517	8.3
185.06114	3.0
185.09705	2.0
187.03989	6.4
188.04803	6.3
189.02089	2.9
198.03139	2.3
199.04070	5.2
201.05595	8.7
202.06346	3.9
203.07234	10.1
205.05025	8.1
205.88641	2.3
211.04021	6.9
212.04916	3.6
213.05592	9.4
215.03545	6.4
217.05022	5.9
221.08127	3.8
223.04094	3.7
225.05804	4.1
227.03506	7.8
227.07066	3.2
229.05074	10.6
240.04234	5.2
241.05060	41.4
242.05495	3.2
243.02881	3.8
245.04561	4.2
245.08131	13.3
251.03540	9.5
253.05013	5.9
254.05713	3.0
255.03072	10.2
257.04517	14.5
263.03284	2.6
265.05106	3.4
267.03006	2.9
267.06641	2.8
269.04526	36.5
277.05051	2.9
278.06036	2.7
279.02991	11.5
279.06406	5.0
281.04489	10.8
289.07205	100.0
290.07562	9.1
297.04077	41.2
298.04510	4.0
299.05786	2.7
303.06683	3.5
307.06131	3.9
309.04071	8.2
321.07693	5.2
329.04654	2.9
331.06006	3.6
333.07858	4.2
335.05844	2.2
343.05774	3.3
346.04776	3.7
347.05435	5.0
349.07306	7.7
351.08929	2.9
365.06601	3.5
375.05118	10.8
377.06812	3.9
389.06360	2.8
391.08575	2.8
393.06177	9.9
395.07925	3.0
397.09180	2.6
397.50696	2.2
399.04401	5.3
405.06253	7.4
407.07654	19.4
408.08301	3.1
417.06027	6.8
423.07138	14.0
425.08817	6.1
435.07190	95.1
436.07407	9.5
441.17654	6.4
443.19095	23.0
499.09937	2.5
543.09296	8.1
551.08801	2.2
561.10309	41.0
562.10449	5.5
563.10968	2.6
573.10309	3.1
699.13654	3.2
723.42188	2.5
725.14801	5.1
773.87286	2.3
827.76025	2.3
851.17780	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30849	4.7
69.31253	11.6
81.03477	6.9
83.01398	11.0
92.75803	2.3
93.03435	2.6
95.01430	3.8
95.05016	5.0
97.02970	10.2
108.02199	3.2
109.02958	30.0
121.02975	6.3
123.04538	20.7
125.02457	72.0
125.03352	4.7
128.24474	2.2
135.04469	3.0
137.02449	38.8
139.03993	5.4
140.28569	2.2
149.02499	6.7
151.04021	19.7
159.04567	4.9
160.05193	2.1
161.02495	4.9
161.06075	7.3
163.00409	29.8
163.04008	5.6
164.01190	15.4
165.01941	17.3
166.02399	2.3
167.03535	10.3
168.56032	2.3
168.79738	2.1
173.06108	4.3
175.03990	9.5
177.01930	12.3
179.03569	8.5
181.05049	2.4
183.04460	2.6
185.05983	3.9
187.04013	13.9
188.04732	5.8
189.02000	2.6
189.05620	3.2
199.04146	3.8
201.05609	7.1
203.07205	13.6
205.01465	3.8
205.05090	12.7
207.02872	2.5
211.04073	7.8
212.04816	3.8
213.05560	11.9
214.02602	4.0
215.03485	7.0
221.08214	2.9
225.05537	3.8
226.02766	3.3
226.89877	2.5
227.03531	11.7
227.07195	3.3
228.04247	4.6
229.01582	2.8
229.05070	17.4
231.02905	2.5
239.03632	3.4
240.04301	8.1
241.05083	45.5
243.03000	4.9
245.04451	3.4
245.08195	20.1
251.03546	8.8
251.07356	3.7
252.04332	3.7
253.05023	8.9
255.03029	12.0
255.06731	4.0
256.03760	5.6
257.04550	19.1
261.05704	2.5
263.07083	3.0
265.05145	4.1
267.03073	5.4
268.03802	2.4
269.04575	50.2
273.04120	4.5
275.07217	2.4
277.05389	3.0
279.03000	9.8
279.06116	3.7
280.03766	5.8
281.04477	19.1
282.02005	2.3
282.05026	2.5
283.05783	2.7
285.04248	4.1
289.07227	100.0
290.07571	8.8
293.04773	3.3
295.06128	3.0
296.03360	4.5
297.04083	49.1
298.04636	4.8
305.08151	2.2
309.04129	8.4
318.05362	2.6
319.06094	5.2
321.07535	4.4
325.30093	2.4
331.06152	4.4
339.09143	3.3
346.04898	5.1
347.05502	2.5
349.07248	6.2
361.07159	3.5
375.04971	12.4
377.06570	3.9
379.08572	3.1
381.10269	3.3
389.06631	3.0
391.08502	2.5
393.06250	9.2
395.07791	4.7
405.06274	6.5
407.07773	39.5
408.07819	2.8
411.69873	2.7
417.06342	8.8
423.07153	11.6
425.08853	9.4
425.18121	3.7
435.07263	74.1
436.07681	6.5
543.09546	5.0
561.10413	36.4
562.10419	5.9
573.10248	4.5
699.13434	10.5
725.14661	7.3
833.18085	4.4
851.18378	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
62.66689	1.4
69.48430	1.4
71.31772	1.5
71.32202	2.6
81.08078	2.2
107.24055	1.5
109.70953	1.7
115.83902	1.6
125.02442	1.8
145.02979	3.9
151.00426	2.0
183.04509	2.3
227.03511	37.8
228.03902	3.3
229.05023	2.4
255.03008	55.1
256.03574	7.8
284.03268	58.5
285.04010	50.3
286.04425	4.7
307.55646	1.8
318.62000	1.7
417.08295	100.0
418.08673	14.6
433.11777	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	18.8
61.98832	7.7
69.03462	2.1
71.01392	60.3
71.32100	2.1
73.02976	7.1
80.02699	1.1
81.03473	3.8
83.01398	3.2
83.05047	6.4
85.02970	6.9
85.43860	1.3
87.00893	4.1
89.02446	14.5
95.01411	1.8
95.05025	1.5
97.02974	5.8
97.06626	1.2
99.00877	3.3
99.01476	1.1
101.02450	15.3
109.02890	1.3
109.06618	5.6
111.00879	1.3
111.04544	1.5
113.02454	7.8
119.03535	4.0
123.04543	1.6
125.02458	10.2
125.09752	2.8
127.11326	2.7
135.08176	1.6
137.02477	1.7
139.07564	1.2
140.64906	1.3
143.03514	2.1
149.09738	1.2
155.10780	2.4
161.02466	1.7
161.04605	3.8
163.11290	9.4
165.12839	2.1
171.10283	32.0
171.11694	2.2
172.10631	1.5
179.05652	4.7
181.12383	3.5
185.11816	2.1
191.10855	1.9
197.11887	2.7
201.11331	25.5
202.11652	2.0
207.10300	17.5
209.11855	100.0
210.12216	4.9
215.12901	2.0
221.06715	1.5
225.11346	31.9
226.11710	2.1
227.12933	14.0
228.13272	1.3
235.08247	4.4
243.12401	3.9
251.12781	1.3
305.08786	1.6
379.12494	3.8
397.13583	30.9
398.13992	2.4
415.14642	12.1
439.14651	1.2
605.24493	2.4
610.79840	1.5
623.25238	4.2
815.37109	3.6
833.38208	3.4
851.38483	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
62.38921	0.4
62.54222	0.4
63.75993	0.4
67.01892	0.4
69.63416	0.7
69.63796	1.1
72.50315	0.4
82.14424	0.4
83.01440	0.4
83.05048	0.6
83.33598	0.4
89.02444	0.6
93.61218	0.5
94.02988	2.2
98.22482	0.5
108.04528	2.7
120.04535	1.2
122.06133	10.3
124.04039	1.3
125.02465	0.7
132.04541	0.8
134.06142	2.1
136.04048	4.4
136.07683	9.1
138.05637	2.5
140.93230	0.4
146.06216	0.5
148.04025	0.6
150.04443	0.8
150.05620	9.3
151.93703	0.4
152.07208	1.4
157.07823	0.4
158.02475	0.4
172.07623	0.5
174.09222	1.1
176.03600	0.7
186.09245	2.7
190.05157	2.1
200.05820	0.5
201.06563	2.3
202.07266	0.9
202.08971	0.8
202.12422	2.6
212.10789	1.6
214.07292	0.5
215.08127	3.0
216.08823	0.6
228.10381	3.4
229.09818	15.1
230.09958	0.7
230.12051	8.7
231.11539	1.5
239.08438	0.5
240.09239	0.8
243.07716	0.5
245.09344	4.5
245.12955	1.0
255.11371	3.5
257.09326	5.7
258.09918	1.7
259.10855	0.9
273.12466	21.6
274.12793	1.4
275.10452	2.6
291.13635	0.4
299.10385	0.6
317.11411	14.4
318.11642	1.2
326.13654	0.5
335.12500	100.0
336.12817	8.9
337.11990	0.8
517.18329	9.1
518.18695	2.0
721.63580	0.5
793.29095	0.7
821.28534	0.6
853.30493	0.9
887.57220	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
61.79807	0.3
65.99847	0.4
69.00753	3.9
71.01393	0.7
83.05009	0.9
85.02930	0.4
89.02444	0.4
94.02995	2.1
98.02459	0.5
101.02461	0.4
104.05037	0.5
107.03755	0.4
108.04554	2.5
113.02464	0.7
120.04569	1.1
122.06127	9.2
123.06522	0.6
124.04047	1.3
125.02504	0.5
134.06134	2.4
136.04048	4.0
136.07693	9.9
137.04837	0.5
138.05629	2.4
140.23497	0.4
150.05615	9.6
152.07213	2.0
159.11800	0.8
162.05600	0.4
174.09230	1.0
176.03600	0.6
179.03644	0.4
186.09291	3.0
187.11232	0.6
188.10876	0.5
190.05127	2.5
191.05592	0.9
201.06580	1.9
202.07227	2.2
202.09018	0.7
202.12366	2.5
203.08374	0.5
212.10828	1.9
214.07361	1.1
215.08147	3.4
226.07480	0.4
227.11874	0.4
228.10321	3.0
229.09824	15.0
230.11996	9.4
231.11542	0.7
240.08980	0.8
241.09874	0.5
243.11374	0.6
244.08574	1.0
245.09311	5.5
245.13020	0.9
246.09409	0.6
255.11380	4.1
257.09341	6.2
258.09927	1.4
259.10861	0.8
273.12457	24.3
274.12836	1.7
275.10449	2.7
290.12921	0.5
291.13788	0.4
299.10489	0.9
317.11447	16.6
318.11835	1.6
334.11676	1.3
335.12497	100.0
336.09607	0.2
336.12775	9.2
337.11874	1.0
517.18329	9.3
518.18768	1.5
749.30103	0.5
793.29736	0.5
853.31879	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
68.73143	0.8
71.01388	10.2
71.25896	0.7
71.32018	0.6
71.32421	1.0
73.02946	2.0
80.02680	0.8
81.03481	2.4
83.01421	1.4
83.05023	4.6
84.02174	1.0
85.02934	1.3
87.00888	2.2
89.02462	7.4
94.51231	0.7
95.01357	0.8
95.05063	1.2
97.02974	1.5
99.00863	0.8
101.02467	7.9
113.02445	4.6
119.03499	2.6
123.04610	1.2
125.02468	5.6
125.06067	1.0
125.09715	1.0
127.11272	2.5
131.03490	0.8
135.08200	1.2
135.70224	0.7
143.03532	1.4
146.10138	0.8
151.04015	1.2
155.10747	1.2
161.02441	1.2
161.04594	1.4
163.11267	4.5
165.12831	2.9
171.10278	2.1
179.05637	2.1
181.12337	1.1
191.05571	1.2
201.11336	36.9
209.11847	100.0
210.12180	6.7
225.11325	0.9
227.12891	16.1
228.13324	2.0
235.08244	2.8
253.09322	1.0
287.07932	1.0
303.69110	0.7
305.08780	1.1
323.09915	0.9
332.39853	0.7
371.17340	0.8
379.12244	3.6
397.13550	23.4
397.18845	1.1
398.13913	2.4
415.14670	9.3
581.24847	1.0
589.25037	1.3
599.25543	1.4
607.26111	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98520	4.2
61.98835	72.6
63.99244	3.7
68.99576	28.5
69.03468	3.6
69.56586	2.9
71.01377	15.9
71.05006	2.9
71.32066	6.2
72.99284	4.5
82.95422	8.0
83.01423	3.7
83.05047	5.8
85.02981	5.7
89.02454	7.5
95.01429	3.7
96.95995	9.4
97.02931	3.5
97.06618	6.2
99.04544	4.8
101.02450	14.0
109.06590	4.5
111.08172	9.2
112.98605	24.4
113.02468	7.5
115.07613	4.5
116.92856	3.8
123.08163	4.0
124.93066	3.3
125.02486	5.3
125.09738	6.8
135.08195	3.6
136.60439	3.4
137.09789	5.6
149.40572	3.8
153.09233	18.4
161.04594	5.5
163.11253	4.9
165.12750	3.8
171.10292	33.6
172.10489	3.3
185.11812	7.8
191.14450	4.7
197.11824	66.2
208.58177	3.8
209.11824	46.3
211.13405	18.4
227.12927	4.6
229.14481	5.1
235.08183	7.3
237.11215	4.7
242.14734	4.0
245.19171	8.3
253.09312	42.3
263.20105	6.6
289.18118	38.9
291.19687	28.2
307.19165	100.0
308.19635	7.2
309.20761	90.2
309.24091	6.9
310.21024	9.9
325.20200	37.9
326.20517	4.2
327.21744	50.5
328.22238	5.2
356.29037	3.5
420.98770	3.8
443.32300	4.4
543.28082	17.1
561.29242	5.6
835.49115	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	20.9
64.67803	1.1
71.01373	3.7
73.02948	2.1
81.03446	2.1
82.95419	4.8
89.02427	1.4
96.96011	3.0
99.04521	17.9
101.02446	8.6
102.91969	1.2
118.38223	1.2
125.02457	30.3
134.22005	1.1
161.04588	3.2
171.10304	3.0
197.11729	2.8
198.46606	1.2
209.11841	1.2
211.13408	2.1
229.14453	1.3
253.09360	3.5
291.19641	2.1
305.08786	5.0
309.20740	9.8
327.21750	11.6
349.40378	1.4
423.32733	4.6
467.31461	2.3
485.32758	100.0
486.33090	18.3
499.33810	2.2
500.34753	1.4
527.33740	3.2
635.29413	1.5
647.37817	3.9
747.42896	2.5
791.42401	24.5
792.42273	8.0
854.42108	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	0.4
71.01376	1.0
73.02924	0.2
76.84839	0.3
78.75118	0.2
81.03445	0.3
85.02422	0.3
85.02953	6.3
87.00875	1.6
93.03461	3.6
98.21803	0.6
109.02946	0.5
111.04509	1.1
119.05039	0.7
127.04005	1.7
145.02942	0.9
153.01901	0.2
155.03577	0.2
163.03973	1.4
171.02989	0.4
173.04596	1.7
191.05620	100.0
192.05945	4.4
271.79977	0.3
305.11282	0.3
320.55399	0.3
337.09302	21.6
338.09631	2.4
427.31992	0.3
590.55206	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59708	3.0
71.01385	16.1
73.02942	6.4
75.56399	3.1
78.91914	3.8
80.91690	41.2
83.01414	5.1
85.02955	4.9
96.37161	2.8
97.02776	3.1
99.04533	48.1
99.92578	12.1
101.02451	26.4
113.02460	9.6
115.92046	4.4
117.51642	3.0
121.02740	23.3
123.04565	6.1
125.02454	45.0
126.02827	4.0
139.03745	28.9
141.01755	3.9
143.03554	3.9
153.05368	15.1
161.04604	8.5
164.36546	3.1
181.04816	5.5
183.02773	28.1
184.49135	3.3
203.05432	4.7
225.03831	100.0
226.04167	4.9
255.05031	15.7
305.08838	25.1
327.07043	8.5
360.55096	3.1
369.68652	3.1
425.34329	4.6
443.56424	3.7
469.33307	88.4
470.33472	15.7
483.34879	7.1
491.31952	7.4
511.34131	4.8
549.35138	5.4
551.33594	4.3
597.55688	3.2
653.36316	5.1
725.38263	4.7
775.42523	8.4
776.42200	8.9
797.41162	28.4
798.40930	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.431
Annotation	Unknow
Peak:m/z	Relative Intensity
64.06042	2.7
70.24022	3.2
71.01369	11.7
73.02940	4.1
80.91692	36.5
81.03442	4.7
82.70596	2.7
83.01405	4.5
85.02967	4.8
97.02696	4.5
99.04531	51.2
99.92612	5.4
101.02427	15.8
113.02438	6.4
120.91359	3.6
121.02721	30.2
123.68329	2.9
125.02453	53.6
139.03769	21.0
153.05339	11.4
161.04576	8.7
167.13803	2.9
181.04857	8.1
183.02737	19.2
194.19572	2.6
225.03819	61.7
226.04121	3.6
226.96666	3.0
235.98901	3.1
255.04883	11.1
264.95068	2.9
305.08685	11.7
327.07092	9.0
341.47693	3.2
469.26495	5.1
469.33224	100.0
470.33701	15.9
483.34534	4.2
491.31415	9.3
524.21210	3.3
551.32556	4.5
552.32361	4.0
653.36707	6.0
725.38794	7.4
751.77753	3.4
775.43073	22.4
776.42194	6.5
797.41492	22.0
798.40833	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
70.56475	62.7
71.25983	21.2
85.71289	18.5
88.98828	24.7
114.88724	22.3
116.15926	19.0
128.92120	20.4
187.01532	19.4
235.08113	21.0
277.21661	100.0
278.22229	18.5
287.59232	27.0
307.19110	46.5
325.20389	25.7
536.62830	23.6
796.95850	24.1
803.49408	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.359
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21328	0.9
61.98845	1.4
69.18665	4.7
69.19080	1.9
71.01382	1.7
72.99327	1.0
91.16762	1.0
96.96035	9.7
98.95610	3.7
99.04539	2.1
99.92596	35.1
100.92608	2.3
100.93370	1.8
111.88485	1.1
113.66391	0.9
114.94924	1.2
115.92089	56.1
116.92871	100.0
117.92937	5.0
117.93657	1.2
125.02457	2.6
138.98587	2.5
141.93657	2.2
142.94455	1.3
156.96013	1.5
169.93147	4.8
182.97552	9.5
183.94635	1.3
183.97675	1.1
184.95547	3.3
197.92599	1.3
198.79529	1.1
198.97127	1.6
203.90701	1.0
209.96468	1.0
224.95068	1.0
226.96519	16.0
242.96130	1.3
243.96829	1.6
252.98097	2.7
267.96896	1.4
268.97736	2.1
286.01483	1.1
296.97223	1.5
298.98672	2.4
309.45337	1.0
328.89233	0.9
368.99246	1.4
387.00375	1.3
405.01349	3.1
453.33701	4.5
823.33020	2.6
859.35773	31.4
859.50507	1.2
860.35956	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	0.8
66.95930	3.3
69.33527	0.4
69.90936	0.4
71.31705	0.7
71.32103	0.5
80.91660	0.7
82.95422	100.0
99.04530	1.6
99.92579	1.1
101.02444	0.8
116.92886	1.4
125.02482	1.8
142.01309	0.5
183.02742	0.9
201.11362	1.6
225.03893	0.9
239.38084	0.6
245.60680	0.5
268.33698	0.6
469.33200	6.5
470.33572	2.2
471.33929	1.1
629.56488	0.5
775.42773	1.4
859.35553	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01725	0.8
69.31477	3.8
71.01386	35.5
72.99303	1.9
73.02952	6.1
83.01382	2.9
85.02955	10.7
85.99867	0.6
87.00897	1.2
89.02454	19.9
95.01404	2.3
96.57222	0.6
99.00868	3.6
99.06451	0.6
101.02454	22.0
107.39769	0.6
113.02461	12.1
118.19878	0.6
119.03521	8.9
122.11557	0.6
127.34825	0.6
131.03453	0.8
143.03514	1.9
149.04607	0.8
159.02972	1.4
161.04565	7.3
179.05646	2.1
191.05688	0.7
223.16982	1.4
228.89870	0.6
249.14917	2.1
267.16043	17.4
268.16403	1.1
278.96375	0.8
343.24759	0.8
385.22311	10.0
386.23038	1.1
394.58649	0.7
401.33588	0.6
429.21298	100.0
430.21622	12.2
443.58908	0.9
517.30029	1.1
679.35059	1.0
697.36304	8.4
698.36859	2.1
705.76062	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	8.3
69.06973	31.1
70.47939	3.0
71.01376	11.3
73.02953	8.0
78.91908	3.5
80.28365	3.2
80.91691	21.8
81.60463	3.0
83.01417	7.0
85.02937	3.2
97.02776	3.9
99.04527	45.6
99.92596	14.5
101.02444	19.0
103.01494	3.8
113.02421	7.5
115.92136	3.0
121.02696	28.7
122.87187	2.9
123.04498	5.6
125.02456	60.1
130.70784	3.3
139.03773	26.9
141.01736	4.9
143.03517	3.5
153.05334	12.2
161.04527	6.9
165.01781	4.1
181.04836	10.7
183.02713	29.2
187.99660	3.0
203.05582	3.8
225.03821	100.0
226.03857	3.2
226.96475	4.7
255.04860	14.8
305.08804	20.9
327.06992	12.2
384.28775	3.3
471.34824	76.9
472.35059	13.0
489.85748	3.9
493.33035	6.2
524.66901	3.6
553.33588	4.9
565.35553	3.4
655.37250	5.4
727.40295	4.4
777.44318	21.3
778.44794	7.4
799.42120	29.9
800.42871	6.7
844.22272	4.3
860.35437	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99310	0.2
64.67355	0.1
67.01891	0.4
71.01373	0.7
73.02939	0.2
75.60839	0.1
83.05045	0.3
85.02958	6.5
87.00890	1.5
92.69373	0.1
93.03458	3.8
95.01369	0.1
98.22602	0.2
99.04530	0.2
102.86510	0.1
109.02914	0.5
111.04533	0.9
113.02472	0.2
117.03455	0.3
119.05022	0.8
125.02473	0.2
127.04036	1.6
137.02437	0.2
137.97882	0.1
139.94405	0.1
143.03555	0.2
145.02995	0.8
153.01917	0.1
155.03539	0.3
155.97458	0.1
163.04018	1.4
164.04370	0.2
171.02998	0.5
173.04562	1.2
174.04836	0.1
191.05629	100.0
192.04269	0.2
192.05975	4.2
193.06070	0.2
225.87895	0.1
264.93140	0.1
337.09311	22.7
338.09674	2.3
367.48352	0.1
478.56253	0.1
498.75830	0.1
523.94836	0.1
557.77032	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10397	2.2
71.01389	11.3
72.99303	1.3
73.02943	1.5
83.01385	1.6
85.02946	3.2
87.00862	1.1
89.02451	5.1
95.01392	1.4
101.02431	4.2
102.29613	0.6
113.02478	3.4
113.03801	0.6
119.03504	1.7
125.02459	2.0
150.47754	0.7
151.04085	1.1
155.10768	1.0
161.02576	0.8
162.63293	0.7
171.10226	1.2
180.47865	0.6
212.51346	0.8
257.34796	0.8
339.25443	0.7
341.07245	0.8
357.26422	6.2
375.27530	6.3
376.27673	1.2
485.23599	0.7
501.30957	0.9
519.31708	10.9
520.32355	1.2
537.24841	0.9
537.32892	14.0
538.32922	3.3
681.37012	8.6
682.37384	1.6
699.38062	100.0
700.38397	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	2.2
69.03497	2.0
70.99489	2.8
70.99838	2.0
71.01387	26.0
72.99306	3.5
73.02969	5.4
74.00241	1.6
81.03457	4.0
83.01389	3.9
83.05051	2.4
85.02962	4.6
87.00893	7.7
89.02451	22.3
97.02948	13.5
99.00882	4.1
101.02453	19.7
102.65605	1.6
107.13306	1.6
109.06597	31.7
111.00899	2.3
113.02473	10.6
116.92877	1.9
119.03506	5.7
125.02465	6.9
135.08200	4.1
138.68291	1.5
142.02753	2.7
161.04691	3.4
163.11324	20.1
179.05595	4.0
179.10760	2.0
181.12369	4.0
189.09216	2.6
207.10278	100.0
208.10680	7.0
217.07083	2.4
221.06543	1.8
225.11331	35.4
231.31186	1.9
235.08284	5.9
241.76077	1.8
243.25841	1.7
255.23308	81.4
256.23624	9.7
299.15063	2.0
305.08676	1.7
323.10031	2.0
379.12476	5.1
397.13571	41.6
398.13919	3.7
415.14468	12.1
454.33026	1.7
549.58081	1.6
567.86188	1.8
605.24896	4.3
623.25604	3.8
861.48523	46.1
862.48926	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	6.2
69.20805	9.4
69.21193	34.0
71.01393	30.8
73.02944	4.9
77.05791	4.3
79.93146	4.8
85.02962	11.8
87.00868	4.3
89.02457	15.3
97.02958	19.2
99.00890	5.4
101.02468	13.7
101.83491	5.5
109.06599	27.7
113.02470	8.2
114.50727	4.1
125.02486	9.9
127.14270	4.6
151.15140	4.5
161.04503	6.1
163.11325	23.8
168.17940	5.4
172.85219	4.7
173.96022	3.9
189.09140	4.5
207.10291	100.0
209.11659	5.9
225.11348	28.3
255.23317	69.4
255.69577	5.1
256.23752	7.0
338.69275	4.6
397.13614	41.5
398.13821	10.2
415.14532	6.0
576.46887	5.1
797.42908	5.1
861.48737	44.6
862.48718	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.205
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84748	0.4
69.19838	4.4
69.20179	0.7
72.61733	0.4
93.03400	0.6
125.02418	0.5
143.05026	0.8
151.00351	1.2
163.00391	1.0
167.04994	0.6
183.04544	1.0
185.06100	1.4
187.03972	1.0
211.03996	1.5
213.05618	0.9
227.03508	32.5
228.03761	2.2
229.05077	5.3
239.03410	0.6
240.04143	0.7
255.02986	42.8
256.03604	6.1
257.04498	3.5
267.02942	0.5
281.13608	0.5
284.03278	48.0
285.04041	53.0
286.04358	3.7
431.09839	100.0
432.10223	13.2
478.40366	0.6
595.96478	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00822	1.9
71.01395	13.7
73.02991	2.4
81.03463	2.0
83.05034	4.6
85.02939	3.7
87.00887	2.3
89.02461	11.7
101.02473	9.7
106.62035	1.6
108.22604	1.6
113.02464	5.3
116.20852	1.4
119.03493	4.5
125.02463	5.8
139.00410	1.6
143.03490	1.8
155.88423	1.4
163.11328	3.3
165.12750	1.8
167.64751	2.0
179.05598	1.9
199.13545	1.6
209.11852	100.0
210.12193	7.3
221.06699	1.8
227.12901	11.8
232.46170	1.7
235.08295	3.4
255.23309	48.5
256.23749	2.0
260.10809	1.7
286.43713	1.6
379.12442	5.0
397.13519	32.5
398.13928	2.8
415.14679	5.4
487.57806	1.6
526.12946	1.9
782.85120	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
67.62402	1.3
69.03460	1.4
71.01389	21.3
72.99297	1.7
73.02945	2.2
80.02672	1.6
81.03466	2.6
83.01410	2.0
83.05029	5.1
84.78593	1.0
85.02966	4.2
87.00904	7.0
87.01378	1.3
89.02452	11.4
94.85242	1.2
95.05045	1.3
96.64671	1.1
97.02963	3.0
98.21734	2.5
99.00945	1.2
101.02441	12.0
103.32807	1.1
113.02470	5.7
119.03513	3.0
125.02467	7.0
129.11070	1.1
131.03470	1.4
139.04106	1.1
143.03516	1.4
147.11821	1.2
161.04570	2.1
163.11234	3.7
165.12895	3.4
179.05670	2.5
202.21194	1.2
209.11845	100.0
210.12173	6.5
221.06818	1.4
227.12895	13.2
235.08276	5.5
253.09238	1.2
255.23302	52.6
256.23697	5.0
286.49246	1.2
287.07700	1.7
305.09088	1.4
345.24814	1.2
370.25870	1.3
379.12534	6.0
397.13547	44.3
398.13870	4.0
415.14499	9.2
444.82132	1.1
516.11157	1.2
564.40070	1.1
653.37476	1.3
723.46027	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	1.3
71.01389	16.9
71.31484	1.0
72.99334	1.4
73.02940	2.8
80.02680	1.7
81.03452	2.3
81.38042	0.9
83.01402	1.8
83.05022	6.6
84.02157	1.5
85.02963	3.0
87.00894	4.3
89.02453	10.8
95.01385	1.4
95.05032	1.1
97.02992	2.3
98.52597	1.0
101.02455	9.9
113.02500	5.6
119.03513	2.4
125.02446	5.4
153.82805	1.0
161.04570	2.0
163.11269	5.4
165.12869	2.7
166.28087	1.1
178.81784	1.0
179.05647	2.8
195.68192	0.9
202.77422	1.0
209.11852	100.0
210.12210	6.7
212.03622	1.0
221.06705	1.3
227.12878	7.5
228.13097	1.2
235.08177	4.6
255.23320	42.7
256.23624	2.8
355.70486	1.2
379.12384	3.5
397.13586	21.6
398.14130	2.4
415.14563	6.1
590.02051	1.2
641.71881	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06255	1.2
71.01031	1.7
71.01383	17.3
72.99315	1.7
73.02949	3.5
81.03477	2.5
83.01381	2.6
83.05034	7.1
85.02946	5.9
87.00877	3.8
88.00632	1.1
89.02454	12.1
95.01405	1.8
97.02956	2.6
101.02444	12.9
111.04527	1.6
113.02470	6.5
119.03496	2.7
125.02470	5.5
135.08215	1.1
143.03552	2.4
161.04558	2.9
162.29529	1.2
163.11284	4.2
165.12877	2.5
179.05630	3.7
209.11844	100.0
210.12172	6.8
217.07121	1.4
221.06871	1.3
227.12880	14.6
235.08205	6.1
255.23305	50.4
256.23593	4.3
379.12589	7.5
397.13513	40.3
398.13889	3.8
409.59338	1.3
415.14572	9.3
485.79510	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
66.50408	0.5
69.03443	1.0
71.01386	13.9
72.99301	1.2
73.02945	1.9
77.75942	0.5
80.02682	0.9
81.03444	2.6
83.01379	2.0
83.05028	4.2
84.02169	1.0
85.02953	3.2
87.00887	4.4
89.02453	14.4
95.01391	1.5
95.05068	0.7
97.02942	2.8
99.00875	1.1
99.04533	0.5
101.02453	11.8
109.02943	0.7
109.20144	0.4
111.04556	0.5
113.02461	6.7
119.03504	3.8
125.02443	4.9
131.03490	0.6
143.03526	3.0
146.01027	0.5
161.04547	2.9
163.11307	3.6
165.12823	2.2
179.05646	4.0
191.10835	1.1
209.11836	100.0
210.12193	5.9
217.07153	0.9
221.06726	1.1
227.12906	12.0
235.08241	4.5
253.09201	0.7
255.23302	52.2
256.23636	5.5
269.24860	0.6
287.07785	1.9
305.08783	1.9
323.09848	0.8
379.12439	7.7
397.13516	36.0
398.14124	2.6
415.14569	8.9
416.15060	0.8
607.25378	0.7
653.37885	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02414	6.9
65.00321	19.1
69.33099	26.4
71.01377	6.6
83.01389	13.1
92.07662	3.9
93.03467	21.7
95.01368	5.0
106.95572	4.0
107.01415	23.3
109.02998	4.0
109.93676	3.9
117.03442	5.5
124.01701	10.8
125.02483	18.8
126.05947	3.7
135.01007	4.7
135.04538	8.6
137.02489	5.4
145.02937	6.0
151.00375	70.2
152.01166	16.7
153.01923	5.4
159.04521	4.0
161.02492	11.6
163.00343	8.4
178.99878	23.7
184.67462	4.0
193.01448	3.8
201.05566	11.5
206.99344	25.2
208.00093	14.0
227.03546	31.5
229.05208	6.2
243.02898	5.5
245.04565	70.7
255.02997	63.1
256.03494	5.7
257.04596	11.6
271.02509	29.4
273.04062	92.8
274.04373	6.8
283.02509	5.5
284.03299	91.4
285.03943	29.4
286.04657	4.5
289.07446	5.7
300.02798	34.8
301.03540	100.0
302.03986	5.8
314.04376	8.7
417.08508	19.4
445.07687	4.6
447.09393	83.8
448.09552	10.7
563.14020	96.2
564.14166	14.4
596.49072	4.0
865.44000	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.199
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36688	3.5
69.37090	1.5
71.01369	0.7
77.04019	0.8
81.03490	1.9
83.01393	4.9
91.19793	0.7
93.03448	1.0
95.05030	0.7
97.02966	2.7
98.21752	1.0
107.05042	2.6
108.02164	1.8
109.02961	9.9
109.86921	0.7
114.53482	0.8
117.03448	0.9
119.05019	1.5
121.02957	2.6
122.03812	1.4
123.04530	6.7
125.02459	100.0
126.02829	3.2
131.05051	1.7
133.02974	6.8
135.04536	2.2
137.02444	14.2
137.03407	1.3
139.04047	1.9
147.04584	1.5
149.02457	4.9
151.04018	13.5
155.05031	1.1
159.04552	2.4
160.05371	1.0
161.02454	29.8
161.06104	1.8
162.03000	2.2
163.00400	3.4
163.03984	4.3
164.01202	5.5
165.01936	6.0
167.03477	1.3
173.06046	1.1
174.03267	1.0
175.04008	15.0
175.07605	0.8
176.01195	1.0
176.04330	1.4
177.01913	10.6
177.05548	1.3
179.03493	2.0
183.04533	0.9
185.06097	0.8
187.04005	3.0
188.04733	1.7
189.02010	2.1
191.03532	1.1
191.05602	1.7
193.05052	1.4
199.04044	4.1
201.01953	1.5
201.05612	3.4
202.99910	0.8
203.03447	4.4
203.07169	4.0
205.01476	1.2
205.05107	3.2
211.03975	1.0
213.05566	1.3
214.02728	0.9
215.03560	1.1
217.05017	6.7
219.03029	3.9
223.06160	0.9
225.05635	1.4
227.03519	3.0
228.04234	1.2
229.05067	2.9
231.02979	1.2
241.05139	2.1
243.02994	21.5
243.06644	1.7
244.03467	2.2
245.04585	11.1
245.08217	6.0
246.04814	1.0
253.05064	1.0
255.02960	6.6
256.03757	2.8
257.04550	2.2
261.04065	5.6
262.04639	1.1
269.04590	2.3
273.04205	1.7
281.04553	3.3
282.01874	1.2
283.02576	1.6
285.04074	1.6
287.05649	27.9
288.03040	1.1
288.06039	3.0
289.07199	22.5
290.07486	2.4
295.02670	1.2
299.05685	4.6
339.08636	1.8
341.06674	1.4
363.04892	1.2
381.10239	1.4
391.04150	1.1
405.06149	6.2
407.07693	17.9
408.08594	2.0
413.08789	7.3
423.07312	3.4
425.08847	9.6
426.09308	1.0
435.07462	1.3
449.08878	6.6
451.10397	7.0
452.11169	1.2
467.10080	0.9
525.08600	1.9
543.09546	4.4
559.12524	1.5
561.10083	1.5
569.10840	1.4
575.12061	4.7
577.13538	8.3
578.13843	1.4
587.11951	3.1
661.32471	0.8
695.14270	7.4
696.14355	1.3
713.15387	1.8
739.17194	2.1
865.19421	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.8
69.49816	5.4
83.01395	4.1
89.58585	0.7
92.95079	0.9
93.03446	1.3
95.05042	1.0
97.02943	2.7
98.21961	1.3
98.22501	1.2
107.05028	1.0
109.02949	11.5
121.02935	2.3
123.04534	5.6
125.02457	100.0
126.02779	2.8
131.05002	1.3
133.02939	5.0
135.04515	2.1
137.02460	11.0
139.04036	1.5
144.87967	0.8
146.03770	0.9
149.02419	3.1
150.03253	0.9
151.04034	10.6
154.57874	0.8
155.05009	1.0
159.04536	2.5
161.02455	32.5
161.06030	1.4
162.03018	1.4
163.00369	2.3
163.04004	4.8
164.01199	5.3
165.01968	4.8
167.03571	1.2
174.03297	1.0
175.03998	11.3
177.01920	9.4
178.02290	0.7
179.03542	1.5
187.04033	4.1
188.04645	1.2
189.01918	1.3
199.03992	3.2
201.02052	1.3
201.05545	1.9
202.06474	0.9
203.03432	1.7
203.07179	3.8
205.01381	1.4
205.05086	2.7
211.03999	1.0
213.05539	1.0
217.01498	0.9
217.05067	5.7
219.02995	2.6
225.05557	1.2
227.03387	1.4
227.07143	0.9
229.05127	2.1
233.60686	0.7
243.02982	17.3
243.06613	1.7
244.03398	2.1
245.04536	7.3
245.08162	5.3
253.05031	0.9
255.02972	5.3
256.03745	2.6
257.04465	2.3
261.04178	5.9
269.04520	2.9
270.04935	1.3
273.04089	1.8
281.04620	1.8
282.01437	1.0
283.02533	1.7
285.04080	2.5
287.05634	29.6
288.02957	0.8
288.05997	2.9
289.07187	18.7
297.04053	1.7
297.07184	0.8
299.05600	4.6
327.08640	1.2
339.08795	2.4
341.06619	1.6
363.04865	1.2
387.05237	1.5
391.04272	1.0
395.07544	0.9
405.06113	5.9
406.06589	1.6
407.07767	19.2
408.07898	2.1
413.08917	6.4
423.07364	4.1
423.13141	0.8
425.08755	9.3
449.08676	4.3
451.10443	7.4
467.09293	0.9
525.08313	1.6
543.09186	4.5
559.12872	1.1
569.11047	1.4
575.12262	5.4
576.12073	1.1
577.13354	7.4
578.13623	1.5
587.12103	1.6
695.13690	6.6
696.14404	1.7
713.15015	3.0
865.19354	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
61.26453	0.7
69.09235	0.6
69.72330	1.3
69.72729	2.3
73.17957	0.7
81.03470	1.2
83.01394	4.0
93.03454	1.2
95.05023	1.1
97.02972	2.1
107.05020	1.8
108.02161	1.4
109.02955	12.9
119.00550	0.7
121.02961	2.6
122.03725	1.3
122.11884	0.7
123.04537	8.1
125.02457	100.0
126.02757	3.4
131.05028	0.8
133.02971	7.0
135.04527	1.8
137.02451	16.5
137.03522	0.8
139.04024	2.5
145.92720	0.7
147.04546	1.4
148.01718	0.7
149.02460	3.8
150.03241	1.4
151.04008	11.1
159.04500	3.3
161.02457	31.1
161.06094	1.4
162.03116	2.6
163.00388	3.3
163.04033	4.0
164.01144	5.8
165.01961	5.6
167.03528	1.1
168.73515	0.7
169.88165	0.8
171.04454	1.0
173.06165	0.9
174.03299	0.8
175.04021	16.3
175.07591	1.0
176.01120	1.0
176.04410	1.3
177.01942	10.8
179.03503	2.7
185.06068	0.8
187.04031	4.5
188.04643	1.4
189.01987	2.6
190.02632	1.2
191.03520	1.8
193.05109	1.6
199.03951	3.6
201.01964	0.8
201.05643	2.6
203.03508	3.0
203.07132	3.8
205.01396	1.8
205.04971	3.9
213.05559	1.1
215.03520	1.4
217.01567	1.0
217.05023	8.1
219.03075	4.1
227.03511	1.8
228.04330	1.1
229.05087	2.1
230.05759	0.9
231.03008	1.7
237.05855	1.0
243.03014	20.3
243.06671	1.1
244.03331	1.7
245.04579	9.6
245.08211	4.3
246.04826	0.8
253.05013	1.6
255.02998	8.3
256.03806	1.7
257.04630	2.2
261.04028	7.8
262.04364	0.8
269.04440	3.4
271.06226	0.8
273.04092	2.8
281.04639	1.6
282.01599	1.1
283.02472	1.4
285.04089	1.8
287.05618	26.4
288.05948	3.1
289.07181	21.7
290.07645	1.1
297.04156	1.0
298.04800	1.0
299.05634	4.7
326.04340	0.8
327.04980	1.3
329.06726	0.9
339.08557	2.1
341.06830	2.4
345.04077	0.8
361.07645	0.8
381.09836	0.9
383.07822	1.4
405.06216	5.1
407.07761	19.4
408.08228	3.3
413.08765	5.8
417.06342	1.0
419.07617	1.0
423.07037	4.3
425.08853	7.0
449.08737	5.5
451.10376	6.1
525.08618	3.8
543.09283	4.2
559.12323	0.9
561.10394	2.1
569.10980	1.6
575.11841	5.1
576.12213	0.9
577.13245	7.4
578.13855	1.7
587.11951	2.8
695.14105	6.1
696.14270	1.5
713.14856	2.5
739.16260	1.1
781.04681	0.8
865.20160	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.199
Annotation	Unknow
Peak:m/z	Relative Intensity
62.03695	0.7
62.73318	0.7
69.34203	2.5
69.34613	2.7
70.96731	0.8
71.21284	0.7
77.08435	0.8
81.03453	1.0
83.01395	4.4
85.63223	0.7
93.03474	1.8
95.05049	0.8
97.02953	2.1
98.21828	1.5
105.03446	1.0
107.05039	2.2
107.71937	0.7
109.02951	11.4
109.07664	0.8
117.03473	1.3
119.04984	1.0
120.02189	0.8
121.02918	2.3
123.04529	7.1
125.02455	100.0
126.02786	3.4
131.05049	1.4
133.02975	4.4
134.67693	0.8
135.04510	1.8
137.01486	1.0
137.02475	14.2
139.03970	2.0
144.01468	0.8
146.03748	0.9
147.04491	0.9
149.02409	3.6
150.03151	0.9
151.04030	10.9
159.04520	3.1
161.02458	33.3
161.06071	2.4
162.02997	2.7
163.00378	2.3
163.03987	3.6
164.01140	6.5
165.01968	6.5
167.03482	1.8
173.06035	1.1
174.03271	1.4
175.03990	13.0
176.01236	1.2
177.01936	10.7
179.03487	3.1
187.04016	2.9
188.04802	1.8
189.01889	2.0
193.05063	0.8
199.03885	3.7
201.05551	2.2
203.03490	2.7
203.07092	4.2
205.05064	3.9
211.03958	1.0
214.69302	0.8
215.07054	0.9
217.05058	6.8
219.02977	2.9
225.05495	2.0
227.03549	2.1
227.07166	1.5
229.05054	2.6
231.02861	1.3
241.04987	0.9
243.02977	17.3
243.06662	1.1
244.03468	1.6
245.04555	9.7
245.08258	5.2
247.06090	1.3
252.39900	1.0
253.05075	1.1
255.02998	7.7
256.03732	1.9
257.04523	1.6
261.04025	7.5
269.04541	2.8
271.06277	0.8
273.04099	1.5
281.04547	2.1
283.02545	2.2
285.04120	2.4
287.05637	25.5
288.05994	2.4
289.07193	18.7
290.07361	1.5
299.05630	3.6
321.23010	0.9
339.08743	1.9
341.06726	1.8
363.05270	1.2
387.05188	1.0
391.04614	1.5
395.07867	1.3
405.06131	3.6
407.07715	22.4
408.08038	1.7
413.08878	5.7
423.07117	3.4
425.08850	10.2
426.09280	1.0
435.07510	1.7
449.08658	5.9
451.10211	6.4
517.12054	1.3
525.08331	1.7
525.79791	0.9
543.09406	3.5
559.12213	1.1
561.10431	1.7
569.10895	1.5
575.11731	4.8
577.13599	7.1
578.13580	0.9
587.11914	1.9
599.25452	1.0
695.13855	5.6
713.14911	2.3
739.16937	2.1
865.20587	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.199
Annotation	Unknow
Peak:m/z	Relative Intensity
62.78986	0.8
69.08226	3.0
69.08647	3.4
79.78863	0.8
81.03455	1.3
83.01392	4.2
93.03478	1.4
95.01382	1.0
95.05029	1.2
97.02950	2.8
97.05722	0.7
99.33176	0.8
100.34515	0.8
107.05052	1.4
109.02959	11.0
115.80884	0.8
121.02991	1.8
123.04531	8.4
125.02457	100.0
126.02816	3.9
131.05057	1.1
133.02972	4.9
135.04572	1.1
137.02470	12.6
139.04054	1.1
145.02974	1.0
145.33949	1.0
147.04469	1.7
149.02426	4.4
150.03214	1.1
151.04015	9.6
152.04451	0.9
159.04523	2.9
161.02452	31.3
161.06107	1.5
162.02948	2.4
163.00398	2.4
163.04065	3.9
164.01184	4.6
164.04817	1.1
165.01987	4.3
167.03493	2.1
174.03178	1.1
175.04012	12.8
177.01971	9.2
177.05661	1.0
179.03531	2.1
187.04005	3.8
188.04764	1.7
189.01901	2.1
193.05098	1.2
195.06668	1.3
199.04001	2.2
201.05554	2.1
203.03551	2.7
203.07152	3.5
205.01515	1.2
205.05077	3.4
208.03670	1.2
215.03476	1.3
217.05046	6.0
219.03032	4.0
223.06050	1.9
225.05626	1.4
227.07120	1.0
229.05014	2.2
241.05107	0.9
243.02975	18.5
243.06696	1.4
244.03407	1.9
245.04597	10.2
245.08296	4.9
246.04802	0.8
255.03035	5.9
256.03671	2.1
257.04477	1.1
261.03979	5.2
262.04453	1.1
269.04639	2.3
273.04025	3.5
281.04599	2.3
283.02463	2.0
285.04190	1.8
287.05655	24.7
288.02838	0.8
288.05951	2.6
289.07202	19.3
289.62549	0.8
290.07492	1.8
295.02527	1.2
299.05692	2.7
315.08615	1.1
329.06711	1.0
339.08789	1.3
341.06552	1.1
345.15155	0.9
391.04578	1.0
395.07465	1.3
405.06137	4.1
407.07742	18.2
408.08054	2.4
413.08893	5.3
417.01611	0.9
423.07297	3.2
425.08832	8.6
426.09143	1.3
449.08905	3.6
451.10175	5.3
525.08282	2.2
526.09137	1.0
543.09406	2.2
561.10217	1.6
575.11841	3.3
577.13440	6.8
578.13715	1.4
587.11871	2.9
695.13977	4.7
713.15002	2.4
739.16510	1.0
865.19287	1.1
866.19690	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
65.72892	0.6
67.02437	0.6
70.47647	1.4
70.48003	0.8
80.58138	0.6
81.03448	1.5
81.73765	0.6
83.01377	4.5
89.02426	0.5
93.03465	1.5
95.01431	0.6
95.05031	0.6
97.02977	1.8
107.05036	1.5
109.02953	12.2
117.03445	0.9
119.05076	1.1
120.02197	0.7
121.02995	2.5
122.03747	1.4
123.00904	0.6
123.04539	7.8
125.02457	100.0
126.02811	3.5
131.05064	1.0
133.02966	5.5
135.00955	0.7
135.04555	3.1
137.02460	14.5
138.02953	0.6
139.04012	2.2
145.03003	0.7
146.03760	0.9
147.04539	1.1
149.02441	4.2
149.06087	0.8
150.03197	1.1
151.04021	11.4
152.04411	0.8
159.04520	2.2
161.02457	34.5
161.06117	2.0
162.03070	2.8
163.00334	3.5
163.04013	4.0
164.01163	5.4
165.01947	5.7
167.03506	1.6
173.04678	0.8
173.06064	1.1
174.03220	1.1
175.04015	13.5
176.04413	0.8
177.01950	10.9
177.05420	1.0
178.02260	0.6
179.03496	2.8
183.04535	0.8
185.06010	0.8
186.03250	0.7
187.04048	3.5
187.07600	0.6
188.04800	2.0
189.01967	2.3
189.05612	1.0
190.02612	0.7
191.03497	1.0
191.05605	1.2
199.04007	3.4
201.01912	1.0
201.05615	2.3
203.03552	2.1
203.07143	4.4
205.01437	1.2
205.05104	4.2
211.04010	1.3
213.05609	0.6
214.02769	1.3
215.03596	0.8
217.05048	6.8
219.02968	2.9
219.06644	0.8
221.08142	0.6
225.05649	1.0
227.03491	1.8
228.04185	1.0
229.05124	2.2
243.02969	16.9
243.06616	1.5
244.03453	2.4
245.04565	10.3
245.08209	4.4
247.06155	1.3
253.05029	0.8
255.03009	5.1
255.06761	0.7
256.03729	2.6
257.04562	1.7
259.06201	0.8
261.04056	5.5
269.04568	3.2
271.02188	0.8
273.04080	2.1
281.04630	2.3
282.01706	1.1
283.02484	2.2
284.03101	0.9
285.04077	2.3
287.05643	24.9
288.06064	1.8
289.07199	18.9
290.07736	0.8
297.04227	1.0
299.05643	2.7
323.05576	0.7
329.06912	1.0
339.08566	1.2
341.06992	0.7
381.10187	1.2
391.04590	1.2
395.07944	0.8
405.06104	4.7
407.07751	17.0
408.08057	2.6
413.08710	4.9
423.06958	4.1
425.08841	9.3
426.09338	1.4
435.07056	1.0
449.08694	5.0
450.09158	1.7
451.10349	7.2
467.09760	0.8
519.02679	0.7
525.08331	1.8
543.09131	2.9
559.12445	1.4
561.10382	1.1
569.10999	1.0
575.12000	3.8
577.13586	7.6
578.13452	1.3
587.11609	1.7
637.27887	0.9
677.12775	0.9
691.37524	0.7
695.14301	4.3
696.14380	1.3
713.15704	1.8
865.18579	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99310	25.1
65.40565	2.2
69.14354	13.2
69.14774	4.8
71.01371	2.5
72.94727	2.4
73.02938	2.8
78.37579	2.5
78.90323	2.2
82.56836	2.3
88.98814	100.0
99.04546	17.1
101.02454	8.2
125.02435	29.6
126.46455	2.6
132.15764	2.3
148.90968	6.6
149.52077	2.2
233.04176	2.6
250.94167	12.0
305.08865	5.6
397.51022	2.9
469.33276	92.5
470.33725	16.7
473.93533	2.4
483.34738	4.5
721.55151	2.8
731.42682	4.5
775.42834	19.5
776.42584	3.9
865.31921	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52140	0.4
60.70210	0.4
60.99310	19.6
61.98811	0.5
69.12024	1.2
69.12432	2.7
71.01377	1.6
73.02964	2.6
76.68276	0.4
81.03464	0.5
81.82177	0.4
83.01380	1.1
83.43678	0.4
88.98812	100.0
89.99154	1.0
99.04533	11.6
100.04875	0.5
101.02455	5.2
104.60202	0.5
109.39149	0.4
116.92870	0.6
123.04509	1.4
125.02464	13.6
128.50816	0.4
141.05655	0.6
143.03497	1.3
161.04543	1.1
161.62207	0.5
203.05539	1.1
212.10844	0.4
250.94197	0.6
279.41852	0.4
305.08829	3.1
324.07062	0.4
425.34448	1.0
469.33261	32.7
470.33475	5.9
483.34827	2.3
484.35382	0.4
511.34033	3.6
584.41156	0.5
721.26770	0.5
731.43622	1.5
775.42767	5.6
776.42761	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66597	19.1
70.14330	16.2
80.96529	92.5
98.21752	44.2
176.62712	21.2
225.00804	36.5
228.76823	23.2
494.36328	21.6
545.89874	21.0
865.50464	100.0
866.50238	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
71.01409	0.3
71.31813	0.4
75.73705	0.2
78.95950	0.3
79.24376	0.2
79.95745	0.3
88.98830	0.3
96.96035	0.5
121.68745	0.2
161.02469	0.3
216.36020	0.3
290.27850	0.3
322.27963	0.2
381.10516	0.3
411.57370	0.3
469.55176	0.2
713.45367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
60.43346	2.0
69.17776	7.6
69.18204	8.8
71.01385	4.6
74.75914	1.9
81.03487	2.1
82.54591	2.0
83.01396	4.8
85.02963	2.5
89.02446	3.3
95.05027	3.0
97.02955	5.7
99.04530	38.4
99.05141	4.3
101.02452	13.7
109.02953	22.0
111.00891	4.8
119.03600	2.3
121.02945	4.6
123.04511	11.0
125.02460	100.0
126.02838	3.4
126.07881	2.4
135.04494	3.6
137.02441	22.0
139.03998	4.9
145.02953	14.7
146.03784	2.5
149.02458	5.8
151.04001	12.0
153.31721	2.1
155.13040	1.9
159.04549	8.6
160.05272	2.5
161.02611	10.1
161.04584	80.2
161.06065	8.8
162.04927	4.2
163.00468	2.9
164.01187	7.1
165.01920	5.8
167.03540	4.7
175.04034	3.7
177.01912	4.2
179.03516	5.6
185.06021	6.1
187.04019	7.8
188.04674	3.3
201.05515	4.4
203.07088	13.5
205.05064	9.4
211.04089	2.9
219.06657	2.2
221.08214	2.9
225.05652	2.1
227.03557	2.3
227.07135	6.4
229.05107	4.1
241.05080	3.9
243.02991	5.4
245.08179	15.1
247.06039	2.5
253.05051	14.9
255.02943	3.8
257.04391	2.1
268.03632	2.4
269.04529	4.0
271.06125	81.8
272.06476	6.7
287.05576	5.2
289.07199	95.8
290.07513	8.8
297.03915	2.9
305.06686	10.2
345.15576	14.0
423.07233	5.7
433.11417	28.2
434.11636	4.8
435.07129	5.8
496.61362	2.2
521.80396	2.2
561.10425	2.9
705.22937	2.5
815.80188	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	1.8
69.03455	1.0
69.84864	0.7
71.01387	7.2
71.32315	1.5
72.99294	1.0
73.02931	1.4
81.03442	1.1
83.01390	1.3
83.05032	4.7
84.02196	1.2
85.02966	2.3
87.00889	2.4
89.02458	9.5
95.01387	0.9
97.02970	1.3
101.02462	4.4
113.02477	3.1
119.03516	1.9
121.88174	0.8
123.04546	0.8
125.02449	4.6
125.06103	0.9
137.02458	1.2
161.04532	1.5
163.11270	5.5
165.12865	3.4
171.10303	1.2
179.05623	2.7
191.05510	1.1
191.10802	0.9
193.01480	0.7
194.50906	0.8
209.11845	100.0
210.12163	6.5
217.45538	0.8
227.12901	16.5
228.13217	0.9
235.08240	2.3
259.15503	1.0
289.07211	1.2
305.08759	1.1
330.37720	0.9
379.12601	2.9
397.13544	21.1
398.13791	2.0
415.14734	4.6
607.26208	2.3
701.90631	0.9
713.92609	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56568	1.8
61.98839	29.1
68.99579	16.2
69.07019	1.9
69.07227	6.9
69.07634	11.6
71.01386	11.2
72.99305	2.0
78.95893	2.6
79.95724	3.2
83.01379	2.1
83.05047	5.8
85.02966	2.6
87.00881	2.4
89.02432	3.7
89.25169	1.9
95.05010	2.9
96.96037	11.1
97.02965	2.8
99.04530	2.7
101.02451	8.4
109.02975	2.1
112.05338	2.2
112.98591	9.4
113.02453	3.2
115.07683	3.5
119.03506	2.8
125.02533	2.3
125.09713	6.5
127.07686	4.4
135.08110	3.8
139.07701	2.3
141.09239	1.9
153.09221	26.2
155.10773	3.4
161.04614	4.4
163.11259	4.1
165.12830	2.9
171.10272	38.6
172.10606	2.4
178.10011	3.3
185.11891	9.2
191.10840	3.0
193.12236	2.1
193.32780	2.0
197.11839	11.2
209.09857	3.4
209.11845	70.5
210.12181	4.7
211.13432	2.3
227.12970	3.1
235.08252	5.6
238.12122	2.9
245.19159	3.9
253.09319	13.2
261.18820	2.1
279.19638	2.4
289.18021	15.1
297.20917	3.3
305.17618	4.4
307.19165	100.0
308.19598	6.9
325.20203	46.4
327.21844	4.0
344.86536	2.1
525.27325	2.9
543.27991	21.5
544.28992	4.6
561.29248	5.5
709.37677	2.6
727.38489	2.9
741.56055	2.2
764.40088	3.5
782.41296	2.6
833.46448	5.3
851.47479	6.8
852.47852	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
62.90656	4.0
69.14942	33.2
69.15346	6.0
71.01389	5.3
78.85479	4.2
89.02487	4.4
93.03470	5.8
98.21815	8.1
100.54603	4.0
102.04414	3.7
135.04561	4.7
161.02415	4.8
161.04596	4.0
169.06615	3.5
173.04614	6.0
188.74173	3.8
191.05537	5.0
227.03534	17.3
255.03012	40.6
256.03586	5.0
284.03290	52.2
285.04019	43.9
286.04382	5.3
369.80872	4.3
417.08316	100.0
418.08679	15.0
563.13837	5.7
645.90411	4.2
673.37769	6.1
812.10052	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
72.82024	17.1
83.01333	18.9
88.25138	16.4
88.47150	15.5
89.45589	14.3
98.21769	56.8
101.02457	15.8
121.02734	21.1
125.02475	28.7
139.03772	40.5
225.03792	63.5
229.83961	21.1
464.19272	21.8
485.32724	100.0
486.32724	29.9
594.60052	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.478
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	11.5
96.96028	100.0
98.22535	27.7
116.92854	14.9
119.46133	8.2
125.02464	15.1
151.39517	9.4
169.79770	9.2
197.11865	17.1
309.20889	50.9
310.20966	12.7
326.32233	10.2
469.33420	17.4
488.48563	10.8
552.79626	10.9
555.80524	10.0
650.42834	9.3
705.01318	10.6
764.05133	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
71.34973	100.0
71.85353	41.6
90.12502	50.1
107.45051	40.0
145.16943	42.7
188.83417	49.2
236.06030	41.2
341.23514	61.3
436.56619	43.5
500.60138	52.9
552.28931	48.6
853.24432	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.354
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	2.2
65.30706	1.8
89.50328	1.6
95.11454	1.6
96.96027	38.9
98.22563	4.0
98.95598	14.1
99.04541	5.9
99.92598	32.7
100.93363	4.6
115.92093	49.6
116.92873	100.0
117.92881	4.0
125.02461	7.9
141.93687	2.6
142.13457	1.5
145.64653	1.7
158.93910	1.9
169.93124	4.8
171.22980	1.9
182.97536	8.4
184.95531	2.1
226.96613	12.5
293.99304	1.8
309.75726	1.7
312.09793	1.9
314.83994	1.7
368.99197	2.4
402.56934	1.9
405.01260	3.1
464.20511	1.9
469.33237	9.3
470.33618	3.1
555.04022	2.0
630.22260	2.3
822.67358	2.0
839.32874	3.3
875.35205	29.0
876.35492	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	1.8
72.99297	1.6
73.76141	0.5
86.45953	0.5
96.96022	12.6
97.95947	0.6
98.94999	0.8
98.95577	3.7
98.96501	0.6
99.00884	1.5
99.04565	1.4
99.92592	36.1
100.92601	1.8
100.93366	3.2
109.80566	0.6
114.93401	0.9
114.94936	1.6
115.92088	49.6
116.92872	100.0
117.92871	5.3
138.98596	2.1
139.95802	0.8
140.96516	1.2
141.93637	2.1
142.94485	0.9
156.95941	1.5
158.93895	1.6
161.04561	4.4
169.93187	3.5
170.93896	0.5
171.94696	0.9
174.93401	1.0
181.96794	0.6
182.97548	7.0
183.94699	1.7
184.95511	2.3
197.92706	0.9
198.97110	1.0
211.00645	0.6
213.95570	0.7
221.12827	0.5
224.95097	0.8
224.98665	0.6
226.96544	12.1
227.97028	1.2
228.95215	0.6
242.96056	1.6
243.96799	1.8
252.98022	1.6
267.96835	0.7
268.97565	2.7
271.96240	0.8
280.97824	0.7
296.97137	1.5
298.98727	2.2
326.98071	0.6
368.99194	2.8
371.00760	0.7
387.00491	3.1
405.01306	4.7
425.34210	0.7
462.13620	0.6
551.24384	1.1
569.25604	1.8
680.30609	0.7
875.35297	31.8
876.35693	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
66.19637	0.5
70.93906	1.5
71.01385	1.0
72.99311	1.7
73.02991	0.6
79.95747	1.6
86.19858	0.6
89.47528	0.6
91.45789	0.6
96.96020	20.5
98.95599	7.0
98.96436	1.1
99.00872	0.9
99.04535	2.1
99.92591	38.2
100.92607	1.6
100.93388	2.3
101.02493	0.9
114.94930	1.8
115.91241	1.4
115.92090	53.0
116.92870	100.0
117.09041	0.6
117.92929	4.0
120.41617	0.6
125.02473	1.4
138.98627	1.4
139.95645	0.7
140.96561	0.9
141.93645	2.4
156.95995	1.4
158.93915	1.3
161.04514	1.2
169.93129	3.6
170.93980	1.0
182.97563	7.9
183.94701	1.5
183.98143	0.7
184.95482	2.1
196.95418	0.8
197.92667	1.2
198.97014	1.1
209.96284	0.8
213.95842	0.6
224.94946	0.7
224.98672	1.0
225.95808	0.7
226.96538	13.8
227.96944	1.4
240.13031	0.6
242.95956	1.8
243.96783	1.6
252.98132	2.2
267.96774	1.7
268.97623	1.0
285.00742	0.6
288.55807	0.6
310.98889	0.9
368.99417	0.8
387.00281	1.3
405.01276	2.8
469.33502	1.5
470.33658	1.4
839.33392	1.9
875.35242	25.4
876.35626	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.356
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	0.5
85.02966	2.9
93.03481	3.0
98.21729	1.0
109.03020	0.6
111.04523	1.8
119.05038	51.1
120.05374	2.4
124.07664	0.6
125.02460	0.7
129.46956	0.6
130.84979	0.6
136.07671	1.3
155.03522	2.5
156.45743	0.5
163.04019	100.0
164.04379	5.2
168.06686	0.9
173.04555	4.8
191.05624	26.5
192.06007	1.6
203.70226	0.5
210.78563	0.5
218.71204	0.6
220.72942	0.5
277.11996	0.7
319.13034	0.9
321.11316	0.6
337.09311	42.9
338.06085	0.7
338.09741	4.1
368.33167	0.7
891.96686	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	0.9
63.18511	0.3
71.01398	0.4
90.39584	0.4
96.95972	0.6
109.02961	7.3
113.13695	0.4
116.92857	0.6
121.03009	0.5
122.03764	1.5
123.04539	1.9
124.01674	0.6
125.02467	5.8
126.02843	0.3
137.02457	35.3
138.03264	10.7
139.04027	1.8
149.06094	4.7
151.04037	0.5
152.04770	1.6
154.02661	0.6
164.04790	1.1
165.05579	2.3
166.06291	0.6
170.02264	2.9
175.90900	0.4
179.07191	2.1
184.03761	0.8
205.08766	0.7
209.11766	0.5
287.12723	0.4
301.14331	0.7
315.12424	2.6
329.14044	1.0
330.14743	38.9
331.15115	4.0
344.16254	1.5
345.17087	100.0
346.17453	11.5
377.80481	0.4
659.67883	0.4
831.40570	0.4
871.10266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	3.9
71.01387	2.4
71.32294	1.4
79.95753	1.4
84.95087	1.3
88.98811	4.5
96.96015	30.8
98.95617	10.9
98.96511	1.5
99.04541	2.4
99.67497	1.4
99.92593	37.0
100.92669	1.4
100.93390	1.8
115.92089	54.6
116.92873	100.0
117.92867	4.1
125.02464	4.6
135.21255	1.4
138.98616	1.6
139.95705	1.4
141.93645	2.5
169.93079	3.0
182.97510	8.6
184.95497	1.7
226.96521	13.8
243.96863	1.8
252.98151	1.8
405.01419	3.2
471.34836	5.3
607.47559	1.6
777.44397	1.5
779.44092	2.1
841.34131	4.0
877.36896	29.6
878.37177	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	9.6
99.04568	8.4
110.62807	7.0
192.47881	6.3
228.78737	7.1
235.17039	100.0
236.17403	7.3
311.25851	7.0
345.28436	7.1
481.15073	17.4
495.17258	9.4
541.95300	7.4
555.18829	59.4
556.19128	13.5
572.15204	14.1
586.16669	10.8
641.22375	25.9
642.22467	15.4
758.05878	7.4
877.40576	83.4
878.40497	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	51.2
71.29880	0.6
72.99314	4.2
73.02955	1.1
76.88006	0.5
79.85216	0.5
83.01396	1.7
85.02957	10.7
85.06474	0.5
87.00885	3.0
89.02452	66.9
90.02802	1.1
95.01384	4.1
101.02452	24.8
103.05540	0.8
113.02461	21.8
114.02787	0.5
119.03513	27.2
119.04973	1.3
120.03840	0.8
125.02458	0.8
131.03516	3.0
134.03749	3.1
143.03514	7.2
147.04535	100.0
148.04860	5.4
149.04564	2.1
149.06012	0.7
161.04570	7.6
165.05667	0.5
178.02698	2.0
179.05621	32.9
180.05959	1.2
191.05669	2.4
193.05090	5.8
225.03268	0.5
252.18953	0.5
327.10867	74.8
328.11130	6.2
337.09518	0.8
355.10703	1.1
403.21790	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03464	3.8
71.01389	23.5
81.00966	3.2
85.02970	3.2
87.63296	2.7
89.02469	11.2
97.02968	4.1
99.92590	9.4
101.02449	7.6
104.78038	2.5
111.35530	2.8
113.02420	4.2
118.55367	2.9
151.11366	4.1
175.94200	2.8
179.05846	3.3
179.10825	9.7
197.11833	43.5
198.12338	3.2
200.73268	2.7
206.30765	3.6
209.11833	4.3
209.15979	3.4
255.23323	58.4
266.76880	2.8
327.97006	2.8
397.13632	6.1
420.08813	3.8
436.53717	3.5
447.24463	3.1
668.95428	2.9
695.14667	2.8
842.35974	7.8
877.48041	100.0
878.47943	29.6
913.81366	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.401
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	0.8
66.59022	0.5
71.01392	6.4
71.95892	0.5
73.02934	1.2
83.01385	1.0
85.02969	2.0
85.91402	0.5
87.00883	0.5
89.02469	2.7
93.03450	1.1
96.96032	2.2
101.02447	3.5
111.04575	0.6
113.02463	1.2
116.31889	0.5
119.03500	0.8
121.77268	0.6
125.02460	2.1
132.33350	0.5
133.02925	0.6
134.03789	0.8
137.02480	1.7
151.04001	0.7
161.02428	0.6
165.02040	0.6
185.11787	0.6
191.05782	0.7
244.31161	0.6
275.09329	1.6
309.24527	1.2
327.25479	2.4
339.25418	3.9
357.26382	3.2
413.20056	0.6
422.90088	0.6
423.40405	0.6
489.30835	1.1
501.30688	4.9
502.31210	0.7
503.32245	1.3
519.31647	5.7
520.32361	1.6
663.36127	8.1
664.36383	1.8
681.37061	100.0
682.37396	23.2
817.37915	0.7
879.39294	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
70.30212	7.7
70.37456	6.0
71.01380	16.5
79.95746	29.9
80.96518	100.0
85.21694	7.9
93.64697	8.4
94.98088	19.9
111.23239	7.8
125.02529	10.3
134.97643	8.7
136.65460	7.1
148.99211	8.2
152.98637	13.1
164.98653	18.4
180.36560	7.5
196.98129	7.2
225.00745	29.6
230.60149	7.0
244.09987	8.4
247.84425	7.0
879.50769	41.7
880.50568	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
61.50930	0.6
65.00311	1.7
65.43417	0.6
67.18723	0.6
69.54064	2.8
69.54487	1.2
71.01373	0.7
88.88798	0.6
89.02451	0.9
89.52765	0.8
93.03469	0.7
98.22411	1.2
107.01379	3.0
108.02190	0.9
109.02962	2.7
112.37601	0.6
121.02931	2.5
125.02485	1.5
135.00890	0.9
148.01689	0.9
149.02432	0.6
151.00386	14.0
152.00995	0.8
163.00354	2.9
164.01091	1.4
169.01215	0.6
173.04477	1.0
175.04063	0.6
177.01933	0.9
178.99893	6.2
183.04477	0.7
190.99863	0.8
191.05630	1.2
199.04004	1.1
201.05547	0.7
211.03923	1.1
215.03464	0.8
227.03467	6.7
229.05139	1.5
229.08720	1.3
234.32921	0.6
239.46851	0.7
243.02963	7.6
245.04544	1.2
254.02242	1.3
255.03006	23.6
255.05727	1.1
256.03412	2.5
271.02481	39.1
272.02899	3.8
273.03870	0.9
279.41891	0.7
283.02466	2.0
284.03314	5.3
285.04025	1.9
299.01996	1.3
300.02762	72.4
301.03522	69.2
302.03943	5.5
373.17487	0.7
433.07773	100.0
434.08078	12.2
447.09271	8.5
448.09711	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
62.17935	0.8
65.00342	1.7
71.31596	1.1
93.61868	0.8
107.01386	1.4
108.02232	1.0
114.74708	0.9
121.03035	0.9
123.15171	0.8
125.02399	1.0
148.01738	1.1
151.00375	4.8
155.10832	1.2
161.02382	1.4
163.00412	2.1
177.01884	1.8
178.99893	2.6
189.02080	0.9
191.05661	0.9
226.02742	1.5
227.03621	4.9
243.03006	7.9
254.02283	1.5
255.03017	22.1
256.03528	1.7
271.02496	36.8
272.02972	3.0
284.03247	5.1
285.04056	1.8
300.02768	81.0
301.03479	21.9
331.73672	1.0
333.55011	0.9
433.07764	100.0
434.08163	11.5
447.09464	7.7
448.10175	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44396	5.3
81.03468	1.9
83.01383	6.1
93.03467	2.6
95.05008	1.5
97.02976	2.1
98.04028	0.9
98.21841	1.4
105.03485	1.3
107.05066	2.9
109.02957	12.2
111.22174	0.9
111.90667	0.9
119.05013	1.5
121.02962	6.6
122.03780	1.3
123.04546	10.8
124.01675	1.8
125.02454	100.0
126.02802	3.1
131.05098	2.0
133.02962	6.3
135.04526	2.7
136.01666	1.1
137.02452	17.1
139.04033	2.7
139.63544	1.2
143.04991	1.0
147.04506	1.1
149.02435	9.0
149.06088	1.3
150.03198	1.8
151.04015	17.2
159.04533	3.0
161.02451	20.6
161.06068	3.1
162.03226	2.2
163.00386	5.3
163.04054	5.2
164.01189	4.3
165.01941	6.3
167.03537	2.0
173.05960	1.3
174.03218	1.7
175.00421	1.5
175.03999	22.0
176.01131	2.0
177.01938	62.3
177.05429	1.8
178.02339	3.2
179.03497	2.5
187.04028	5.6
188.04791	2.0
189.01945	3.8
191.03529	3.3
193.05089	1.8
199.04028	5.2
201.01804	1.9
201.05591	1.9
203.03563	3.2
203.07169	3.3
205.04956	2.2
213.05551	1.7
215.03532	2.7
217.01530	1.5
217.05089	10.0
218.05458	1.3
219.02983	6.8
225.05531	1.1
227.03575	2.9
227.06985	1.3
228.04448	1.2
229.05193	2.7
230.05693	1.6
231.03029	1.8
241.05090	2.0
243.03003	26.7
244.03473	1.4
245.04588	6.4
245.08188	4.7
255.02956	9.4
256.03668	3.7
257.04654	1.7
261.04041	15.6
267.02997	1.4
269.04547	3.1
273.04083	3.1
281.04648	2.1
283.02469	1.9
285.04178	4.0
287.05661	13.8
288.06042	1.4
289.07208	19.6
290.07690	2.1
299.05612	1.6
303.05124	10.7
315.05219	1.1
315.08707	1.9
327.05020	1.3
339.08566	2.5
341.06674	2.3
383.07727	1.5
391.04538	2.4
395.07968	1.4
405.06210	3.8
407.07748	22.9
408.08252	3.3
413.08746	4.2
423.07144	5.0
424.07584	1.5
425.08875	9.4
449.08539	1.6
451.10187	2.2
465.08289	4.3
467.10135	4.7
481.06436	1.2
525.08228	4.3
543.09247	8.2
561.10492	2.8
577.13477	2.4
587.12256	2.1
591.11700	3.2
593.12976	5.2
695.13208	5.0
696.14642	1.5
711.13348	5.1
713.16150	2.2
812.80231	1.2
845.60626	1.1
908.23737	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.194
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	1.1
69.58692	5.3
70.09937	1.0
81.03475	1.8
83.01393	4.1
93.03471	3.3
94.81287	0.9
95.05064	1.7
97.02985	1.7
98.11934	0.9
98.21856	1.8
107.05058	2.3
109.02961	14.9
111.11907	1.1
115.94884	1.0
121.02979	6.2
123.04562	9.6
124.29553	1.0
125.02457	100.0
126.02789	3.0
126.03669	1.0
131.05043	2.4
133.02979	4.8
135.04539	1.4
137.02460	19.4
137.03528	1.2
139.02362	1.2
139.04028	2.3
149.02458	9.6
150.03244	1.4
151.04018	13.1
159.04497	2.2
161.02463	21.7
161.06111	2.8
162.03130	2.0
163.00421	2.7
163.04071	5.0
164.01199	5.9
165.01970	6.8
167.03561	2.9
173.02591	1.1
173.06119	0.9
174.17332	1.0
175.04007	19.3
176.01205	1.2
176.04247	1.2
177.01942	73.1
178.02385	2.8
179.03526	4.5
187.04021	6.1
188.04790	2.4
189.01994	1.8
191.03522	2.5
193.05046	1.5
194.23270	1.1
199.04048	5.4
201.02101	1.1
201.05632	1.1
202.02631	1.0
203.03526	3.9
203.07101	5.5
205.01411	1.8
205.05099	3.8
214.02536	1.4
215.03586	1.2
217.01596	1.9
217.05057	11.0
219.03026	6.6
225.05672	1.0
227.03510	1.1
229.05113	3.1
231.03024	1.9
241.05067	1.5
243.02989	24.8
243.06667	1.6
244.03288	1.2
245.04604	7.3
245.08189	7.4
247.06232	1.2
255.03014	10.1
256.03745	3.4
257.04556	2.4
259.06122	1.5
261.04034	12.9
267.02982	1.3
269.04535	2.3
273.04169	2.5
281.04678	3.8
282.05026	1.1
283.02521	1.5
285.03986	3.4
287.05670	14.7
289.07196	31.0
290.07617	3.6
303.05087	10.2
305.06845	1.7
315.05237	2.4
315.08820	2.8
327.05261	2.2
336.00293	1.2
339.08939	1.9
341.06604	2.4
381.09784	2.3
391.04572	2.1
395.07681	1.2
407.07712	24.0
408.08041	3.4
413.08667	7.7
417.06445	1.5
421.05725	1.2
423.07251	2.4
425.08746	10.2
426.09024	1.4
435.07635	1.5
449.08423	1.3
465.08188	5.6
467.09863	7.1
468.10764	1.2
477.07211	1.0
517.11707	1.5
522.14685	1.0
525.08282	3.0
543.09326	7.7
544.09753	1.5
561.10358	4.1
569.11047	2.0
575.12018	1.6
587.11810	4.5
591.11688	2.7
593.12854	9.3
594.13330	1.5
695.14063	1.6
711.13385	4.7
713.14325	2.4
755.16022	2.0
862.51709	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46025	6.1
77.50894	1.1
79.94875	1.2
81.03475	1.5
83.01400	4.1
86.74159	1.2
91.82365	1.3
93.03463	2.9
95.01387	1.3
97.02970	3.0
98.21787	2.6
105.03456	1.3
109.02960	13.5
121.02955	5.5
123.04535	8.7
125.02457	100.0
126.02824	2.5
131.05005	1.5
133.02960	6.1
135.04517	2.3
137.02473	16.7
139.04024	2.1
142.52293	1.2
146.56050	1.2
147.06892	1.3
149.02475	7.2
151.04010	11.9
152.04340	1.2
159.04530	2.5
160.05249	1.1
161.02444	15.3
161.06046	2.1
163.00395	1.3
163.04002	7.4
164.01157	4.5
165.01901	6.6
167.03569	2.7
175.04015	14.3
177.01942	67.3
178.02344	3.4
179.03557	3.6
187.04022	6.0
188.04630	1.9
189.01929	1.7
191.03603	2.6
191.05617	8.1
193.05183	1.7
199.04039	4.2
201.05579	2.3
203.07132	3.9
205.01491	1.5
205.05112	2.4
211.04036	1.5
213.05635	1.6
217.01611	1.6
217.05049	9.3
219.02957	6.0
227.03529	1.9
228.04202	1.6
229.04933	3.2
231.03070	2.5
243.02989	19.6
244.03461	2.1
245.04561	4.4
245.08249	4.7
247.06285	1.9
255.02931	8.8
256.03754	3.0
257.04568	1.8
259.06284	1.3
261.04086	10.5
269.04556	3.0
273.04034	4.1
281.04654	2.6
282.05057	1.4
285.04099	2.4
287.05588	9.0
289.07220	30.5
290.07703	1.9
297.04099	1.3
303.05194	12.3
304.05328	1.3
315.05264	1.4
337.09219	1.7
339.08722	2.0
349.13168	1.4
383.08014	1.5
397.05356	1.6
407.07721	27.7
408.08197	3.5
413.09030	6.6
414.09207	1.7
421.05481	2.1
422.44077	1.3
425.08887	13.9
426.08905	1.7
465.08145	3.1
467.09943	6.6
525.08167	3.3
543.09186	5.4
544.09656	1.7
561.10388	3.3
569.10510	2.1
587.12219	1.5
591.11603	2.8
592.11780	2.1
593.12982	10.6
594.13208	2.6
695.14130	2.1
711.13727	5.0
713.14807	3.9
724.99725	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	1.2
69.33037	7.0
75.96626	1.1
81.03438	1.9
82.17006	1.1
83.01389	3.8
93.03466	3.0
95.05056	1.2
97.02963	3.1
100.35107	1.2
107.05042	2.5
108.02177	1.2
109.02957	17.5
121.02951	5.3
123.04546	8.4
125.02454	100.0
126.02811	5.8
131.05006	1.9
133.02959	5.7
135.04501	2.6
137.02457	21.3
138.03246	1.4
139.04018	4.1
141.01959	1.1
145.06694	1.3
149.02423	8.9
150.03156	1.5
151.00418	1.5
151.04016	15.5
159.04462	2.7
161.02457	27.3
161.06058	2.5
162.03143	2.0
163.00359	3.6
163.03993	3.0
164.01160	5.7
165.01945	8.6
167.03462	4.9
171.04459	1.3
173.06039	1.7
174.03250	1.1
175.04027	17.2
176.01129	2.1
177.01945	55.2
178.02283	3.0
179.03481	1.9
187.04027	3.7
189.01920	3.1
189.05466	1.6
191.03520	3.3
193.05072	3.4
197.06100	1.3
197.77542	1.4
199.04024	7.0
201.01938	1.5
201.05554	3.1
202.06372	1.1
203.03496	2.1
203.07202	3.2
204.04378	1.2
205.01373	2.9
205.05045	3.8
214.02731	1.6
215.03491	3.0
217.01450	1.6
217.05092	10.1
219.03014	4.8
219.06493	1.7
225.05623	1.8
227.03496	3.5
228.04176	1.8
229.05110	2.2
231.02951	2.8
241.05261	1.8
243.02974	32.7
244.03252	2.6
245.04491	7.5
245.08215	4.1
246.08620	1.3
253.05052	2.3
255.03006	7.2
256.03696	3.1
257.04462	3.4
259.02399	1.4
259.06238	1.7
261.04034	12.3
267.03018	1.4
269.04541	3.0
271.06079	1.4
273.03986	2.8
281.04565	5.2
282.01624	2.7
283.02502	3.1
285.03946	3.5
287.05627	17.6
288.05853	1.9
289.07211	23.8
290.07565	1.9
293.04346	1.2
297.04041	3.9
299.05673	6.7
303.05154	12.3
305.06677	4.6
309.04019	1.6
327.05057	2.2
329.07239	1.4
337.07294	1.9
339.04974	1.3
341.06891	2.1
363.04852	1.7
383.08075	1.6
387.05243	1.6
391.04245	1.3
405.06180	6.6
406.06653	1.9
407.07764	21.5
408.08051	3.3
413.08865	2.8
423.07275	10.1
425.08832	9.4
429.08148	3.2
441.08432	2.0
449.08716	1.9
451.10461	4.4
465.08105	5.5
466.09106	1.5
467.09805	3.2
511.92365	1.2
525.08069	3.0
543.09204	5.8
561.09875	1.9
577.13757	7.1
591.11346	4.8
593.12506	3.1
603.11292	3.0
695.14014	6.4
696.13885	1.9
711.13293	1.7
729.14343	1.6
881.20239	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03667	1.8
69.03448	2.5
69.49990	1.5
71.01400	2.8
71.27661	2.2
72.97527	1.6
78.93694	1.6
81.03455	4.0
83.01398	7.3
89.02444	2.3
93.03455	2.4
95.01427	1.9
95.05033	4.7
97.02962	3.3
99.00919	3.1
101.02452	2.4
108.02190	12.4
109.02965	27.7
111.00906	5.6
113.02497	2.9
117.03503	2.1
119.05114	1.7
120.77535	1.8
121.02980	8.0
123.00904	10.4
123.04529	21.2
124.01612	1.7
124.04789	1.7
125.02457	100.0
126.02796	6.1
133.02969	6.1
135.00899	2.8
135.04558	3.8
137.02469	31.7
139.00381	7.3
139.04051	5.2
141.01965	4.3
146.03795	1.9
149.02455	12.0
149.06062	1.7
150.03247	2.8
151.00369	4.2
151.04004	12.9
159.04541	4.9
161.02458	30.3
161.06050	4.3
162.03159	3.3
163.00372	9.4
163.04044	5.3
163.07707	1.8
164.01207	10.1
165.01952	18.3
167.03502	11.3
171.04536	1.6
173.06090	3.5
175.04027	13.6
176.01202	2.4
177.01938	22.7
178.02626	2.5
179.03535	7.5
185.06168	3.1
187.04012	7.4
188.04724	2.8
189.01974	2.6
189.05644	2.4
190.02734	3.2
191.03513	4.6
199.04015	5.0
201.05597	4.2
203.03441	4.4
203.07204	7.0
205.01369	3.8
205.05101	6.9
211.04134	1.9
213.05663	3.4
214.02733	2.8
215.03549	3.9
217.05092	7.8
219.03009	2.8
221.08281	5.5
225.05569	5.3
227.03539	5.5
227.07092	2.2
228.04242	2.6
229.05101	7.1
231.02969	2.9
233.04608	3.1
241.05061	4.5
243.03040	13.4
244.03404	2.6
245.04552	5.2
245.08255	8.3
253.05029	6.8
255.03006	6.8
255.06717	2.3
256.03671	2.1
257.04630	4.5
259.02579	2.5
261.04099	13.8
265.05130	5.1
268.03708	1.8
269.04654	4.1
277.05145	2.2
281.04593	5.8
283.02618	3.2
283.05988	1.7
285.04016	4.5
286.04620	1.9
287.05695	13.1
289.07217	28.2
290.07571	4.8
293.04443	2.0
295.02744	1.9
297.04245	3.3
298.04517	2.5
299.05670	6.9
301.03400	1.6
307.06158	4.4
311.05273	2.1
319.06021	3.3
327.05252	2.2
329.07037	2.7
333.03992	2.3
341.06808	3.7
345.13416	10.7
347.05640	2.1
359.05457	2.6
365.06619	2.3
375.05115	2.2
393.06161	4.0
403.04486	2.3
405.05984	4.6
407.07690	11.1
413.60345	1.8
423.07181	4.0
425.08643	1.8
429.08130	7.3
439.06720	1.8
449.08646	3.9
451.10263	5.7
465.08914	2.6
467.09845	4.0
507.18936	8.4
531.09283	3.9
541.07776	1.9
543.09253	2.5
544.09753	1.7
555.09497	1.8
559.08759	5.8
577.12714	1.8
591.10974	3.8
669.11664	2.1
697.12048	10.5
698.12421	2.6
706.56775	2.0
711.13519	2.8
849.16968	4.1
881.19739	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23693	3.3
69.24106	1.9
71.01382	3.5
73.02165	0.8
77.03923	0.7
81.03461	0.8
83.05014	1.5
85.02953	1.8
89.02464	1.4
93.03466	4.4
95.05038	1.8
97.06583	1.0
101.02464	2.2
105.03470	5.1
111.00910	0.7
111.04523	2.9
113.02431	1.9
117.03466	2.8
121.02965	1.2
123.04533	1.6
125.02458	1.9
129.01894	0.8
133.02972	17.4
134.03755	31.1
135.04559	8.0
135.09599	0.7
137.02483	4.2
139.03992	1.2
149.02454	0.9
150.03165	0.6
150.97252	0.6
151.03944	0.9
155.03502	3.3
159.04520	0.9
160.16141	0.7
161.02478	3.4
162.03252	10.1
163.03741	0.7
173.04564	8.1
177.01956	9.2
178.02695	7.3
179.02934	0.6
187.07666	1.0
191.05617	2.3
200.12465	0.6
203.10973	0.8
221.56238	0.7
227.03479	1.8
231.10269	26.2
232.10542	2.1
243.02844	1.0
255.02972	3.4
256.03506	1.4
275.09265	100.0
276.09631	9.6
284.03296	4.4
285.03955	4.3
286.04431	1.1
289.07101	0.8
314.04239	0.8
315.04819	1.3
316.04999	0.9
347.17117	1.3
352.08130	0.8
361.18878	0.8
431.09579	5.2
432.10120	2.0
433.10239	1.1
447.09229	2.0
448.09714	2.2
449.09933	1.7
449.14603	30.2
450.15060	4.0
521.33337	1.3
596.69342	0.8
623.18311	0.7
665.37958	4.5
683.38629	21.6
684.39392	3.4
827.07794	0.8
881.41309	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	5.5
70.03879	2.0
71.01403	3.0
88.98819	49.4
99.04523	17.1
101.02450	7.4
103.60555	1.9
107.93789	1.8
125.02468	32.3
143.03491	2.4
148.90985	7.4
221.84647	2.0
228.98524	2.1
250.94189	8.2
257.74091	1.9
305.08670	4.8
423.32584	2.8
432.79495	2.6
485.32718	100.0
486.32980	15.8
527.33972	2.9
647.37677	3.1
770.41852	2.5
791.42279	26.9
792.42383	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	1.3
68.50686	0.5
69.03472	1.5
69.67452	2.8
71.01384	15.2
72.99310	1.9
73.02939	2.0
76.95415	0.5
80.02680	2.0
81.03471	3.4
83.01395	3.7
83.05032	4.7
84.02183	2.2
85.02969	4.6
87.00867	3.5
88.98788	1.8
89.02452	12.7
93.03469	1.6
95.01392	1.5
95.05073	1.3
97.02975	3.1
98.22325	1.5
99.00891	1.0
101.02458	10.1
104.62308	0.6
109.02942	1.2
111.04543	0.7
113.02457	6.9
119.03513	3.5
125.02470	5.7
125.09731	3.7
127.11274	0.8
131.03465	0.8
135.04527	1.0
135.08174	1.2
137.02481	1.0
143.03528	2.0
149.04655	0.6
161.04593	2.7
163.11316	4.7
165.12869	3.0
171.10287	2.2
173.04536	0.6
179.05621	3.1
181.12352	1.1
191.05617	4.3
191.10800	2.8
207.10355	1.0
209.11844	100.0
210.12184	6.8
217.07283	0.7
221.06660	1.3
223.13367	1.1
226.12178	0.8
227.12901	11.5
228.13199	0.6
235.08229	4.7
241.14442	0.8
243.16197	1.0
253.09264	1.0
259.08087	0.7
273.17102	96.4
274.17438	7.1
287.07660	1.5
305.08841	1.6
323.09976	1.3
337.35056	0.6
379.12442	4.1
397.13504	32.4
398.13928	2.7
415.09381	0.5
415.14566	12.1
416.14963	1.1
420.71896	0.7
465.28775	1.7
607.26843	0.9
671.32031	1.2
877.10809	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	9.6
68.99571	0.6
69.10765	3.0
71.01382	1.5
72.92303	0.4
76.76240	0.4
78.91904	0.3
78.95905	0.4
80.02678	1.4
80.39188	0.3
81.03460	1.4
83.01385	0.5
83.05035	5.2
84.02160	1.0
87.00890	0.4
90.68053	0.4
93.03474	0.6
94.92513	0.4
95.05048	0.9
96.96011	1.6
98.22561	0.8
101.02458	1.3
109.06603	0.5
112.98576	0.5
113.02457	0.8
120.19651	0.3
123.08149	0.4
125.02412	0.9
125.09754	0.8
135.08188	0.7
161.02420	0.4
163.11292	4.0
165.12872	2.6
165.46353	0.4
171.10292	5.2
172.10680	0.4
181.12373	0.7
186.84621	0.4
191.05638	0.5
191.10905	0.8
209.11841	100.0
210.12164	6.2
221.11850	0.5
227.12914	15.5
228.13112	0.5
235.08287	1.2
239.12746	0.4
247.13409	3.1
253.09262	2.5
265.14413	1.1
281.40012	0.4
384.56601	0.4
401.23630	0.7
416.79684	0.4
419.24698	0.5
437.25870	0.4
445.21014	1.1
637.32178	1.0
655.33667	0.4
847.44897	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	0.4
69.03448	1.0
69.11468	0.2
70.22619	0.3
71.01389	15.8
71.31884	0.4
72.99334	1.3
73.02958	2.0
80.02674	1.3
81.03469	2.1
83.01392	1.7
83.05036	5.7
84.02183	1.0
84.48977	0.2
85.02958	3.1
86.00124	0.3
87.00890	3.5
89.02452	11.8
92.97807	0.2
93.03475	0.4
95.01407	1.2
95.01961	0.2
95.05036	0.8
97.02959	2.1
99.00896	0.7
99.04544	0.3
101.02451	10.6
102.02829	0.3
109.02976	0.5
109.06591	0.4
111.00874	0.4
111.04523	0.3
113.02467	6.0
114.02805	0.4
115.04005	0.3
119.03517	4.0
123.00922	0.2
123.04593	0.3
125.02470	5.5
125.06100	0.5
126.90378	0.2
127.03944	0.2
131.03497	0.6
133.05112	0.4
135.08183	0.8
139.04024	0.5
141.01988	0.5
143.03508	1.9
145.04968	0.3
149.04529	0.4
161.04581	3.1
163.11314	4.0
165.12852	2.3
167.03531	0.4
179.03383	0.2
179.05611	3.9
181.12349	0.7
181.16823	0.2
191.10818	1.1
199.13438	0.3
209.11844	100.0
210.10263	0.4
210.12173	5.3
210.14153	0.3
217.07233	0.6
221.06720	1.3
223.13416	0.2
227.12917	10.7
228.13139	0.7
235.08234	4.6
236.08475	0.2
245.06685	0.3
251.12903	0.7
253.09319	0.9
259.08316	0.5
261.44855	0.2
263.07831	0.5
277.21744	41.8
278.22067	3.8
287.07693	1.3
299.84796	0.2
305.08743	1.7
309.20499	0.2
323.09814	0.8
341.10724	0.3
357.37567	0.3
379.12491	4.5
397.13531	26.2
398.13974	1.7
415.14624	6.9
416.14969	0.7
431.93997	0.2
607.25861	0.7
662.35718	0.2
885.46082	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
68.00629	0.3
68.79004	0.3
69.03458	1.1
71.01387	14.8
72.99303	1.3
73.02952	2.5
80.02663	0.8
81.03480	2.2
81.12640	0.3
83.01400	1.8
83.05039	4.6
84.02168	0.8
85.02962	4.2
87.00881	3.8
89.02454	13.1
91.03966	0.4
93.03500	0.4
95.01409	0.9
95.05049	0.8
97.02958	1.9
99.00892	1.0
101.02451	11.1
102.02792	0.3
109.02921	0.4
111.04558	0.7
113.02459	6.4
113.03189	0.6
115.03998	0.4
119.03522	3.9
121.02943	0.4
125.02461	5.9
125.06087	0.7
131.03520	0.7
133.05103	0.6
137.02425	0.4
143.03523	2.8
161.04552	3.1
163.11325	4.1
165.12878	2.0
167.03415	0.4
179.05600	3.8
181.12390	0.6
191.10814	0.8
194.82030	0.3
209.11842	100.0
210.12151	5.2
217.07195	0.8
221.06584	1.5
227.12903	12.7
228.13138	1.0
229.42163	0.4
235.08206	5.6
245.06720	0.4
251.13057	0.6
253.09343	1.4
259.08401	0.4
263.07730	0.5
277.21747	51.9
278.22079	4.4
287.07770	1.3
305.08725	1.9
323.09811	1.2
361.11465	0.5
374.93152	0.4
379.12399	5.4
397.13513	38.7
398.13895	3.2
415.09427	0.7
415.14609	8.9
416.15167	0.7
607.25824	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.444
Annotation	Unknow
Peak:m/z	Relative Intensity
67.93499	0.1
71.01372	0.2
96.96007	0.2
98.21838	0.5
98.22532	0.5
125.02464	0.2
146.19620	0.1
149.13350	1.7
150.13716	0.2
153.16911	0.2
165.12849	0.6
191.14464	1.0
193.16002	0.4
193.67459	0.1
209.15459	4.9
210.15810	0.3
220.61774	0.1
221.15446	1.7
239.16531	100.0
240.16856	7.7
618.12946	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
61.67427	1.6
66.02482	1.7
69.04601	12.3
69.05033	2.6
86.25098	1.6
89.03988	3.9
97.32600	1.9
98.21679	3.4
117.03521	3.9
119.05092	2.5
119.57354	1.7
132.02144	2.9
133.02966	6.9
134.03755	100.0
135.04066	3.4
137.02443	10.2
139.04079	4.8
147.04506	2.6
148.05301	1.9
149.06094	15.7
160.01678	4.5
161.02484	3.1
175.04041	3.9
178.02721	29.0
179.03253	2.4
193.05066	91.5
194.05429	5.1
209.06053	1.9
249.05637	3.6
251.07170	3.4
259.15872	1.8
264.07794	2.3
265.05054	3.5
265.08746	3.1
266.05792	4.0
267.06674	4.3
277.05212	2.9
278.05823	2.1
279.06644	4.3
280.07352	3.8
281.08221	2.3
293.04706	3.8
293.08066	4.0
294.09030	5.4
295.06299	2.1
308.06955	6.0
323.05893	1.9
323.09500	3.5
328.30634	2.1
335.09421	2.2
339.08618	3.0
341.09863	2.0
353.10434	3.6
517.18567	3.8
635.18756	10.5
647.19086	7.1
662.21429	4.2
665.23975	69.6
666.24286	16.3
677.23944	82.9
678.24127	16.9
695.25189	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98851	10.4
69.02495	34.9
69.02905	18.0
71.01376	9.5
76.17689	7.7
96.96049	14.1
97.39319	7.1
98.22470	14.7
116.92859	18.9
117.92981	7.1
125.02475	9.2
137.02534	6.5
161.04729	8.9
171.10255	21.4
191.05725	8.9
197.11809	29.3
209.11845	36.5
211.13364	7.1
235.08279	12.7
253.09322	29.5
288.45184	6.6
289.07184	9.7
289.18140	25.6
291.19666	27.9
307.19217	100.0
307.22495	12.2
309.20685	87.1
325.20358	30.5
327.21756	57.9
328.22244	8.9
543.28259	24.5
545.29602	7.8
770.87946	7.3
835.48322	29.7
836.49695	10.0
842.35638	7.0
853.50769	13.0
889.47137	53.2
890.47180	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19576	3.8
79.95744	17.9
82.45098	0.5
95.95245	13.1
95.95839	1.0
96.96021	50.4
110.97588	4.9
121.70609	0.4
136.99153	3.3
139.60094	0.4
141.95830	0.7
165.05585	0.9
167.00204	25.8
168.00366	0.5
262.35709	0.5
273.04300	1.1
287.05801	1.1
303.05505	1.0
351.58014	0.4
361.16452	1.1
398.37207	0.4
426.09982	3.8
441.12268	100.0
442.06854	0.8
442.12631	11.0
442.18704	0.5
655.14764	0.5
792.44879	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.276
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23567	2.0
69.31523	0.3
79.95745	20.3
80.96521	0.6
82.72112	0.3
90.32886	0.3
95.95239	15.8
96.96020	54.3
109.76456	0.3
110.97585	5.4
121.02964	0.4
122.03654	0.3
136.99159	4.4
141.95799	0.6
148.68582	0.3
161.11234	0.3
165.05513	0.6
167.00209	27.5
168.00439	0.5
194.73511	0.3
245.01308	0.4
259.02838	0.4
273.04468	0.9
287.05951	1.1
289.03906	0.3
303.05438	0.9
361.16638	1.0
395.08121	0.3
415.02924	0.3
426.09918	3.9
441.12256	100.0
442.12576	12.0
529.99567	0.3
753.77478	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	1.5
72.99321	2.1
77.79256	0.5
78.24548	0.4
79.95736	0.9
81.95336	0.5
96.96021	37.4
97.02994	0.6
97.95939	0.7
98.94965	0.9
98.95607	11.9
98.96446	2.1
99.00887	0.8
99.92594	35.0
100.92601	1.7
100.93372	3.3
101.02438	0.5
113.92634	0.6
114.93457	0.7
114.94928	1.1
115.92091	52.4
116.92203	4.1
116.92870	100.0
117.92907	4.1
117.93656	0.7
125.02463	1.6
138.98587	1.7
139.95714	0.8
140.96512	1.3
141.93649	2.5
142.94421	0.5
156.96004	1.6
158.93951	1.3
161.04555	0.8
167.95215	0.4
169.93166	4.7
170.93965	0.6
174.58632	0.4
182.97565	7.6
183.94698	1.1
183.97510	0.8
184.95491	2.4
196.95430	0.5
197.92575	1.0
198.93520	0.8
198.97098	1.5
199.97858	0.7
202.93799	0.4
207.51016	0.4
209.92502	0.6
212.94995	0.7
213.95845	0.8
218.67599	0.4
224.95029	0.7
224.98615	0.7
225.95807	0.7
226.96552	13.3
227.96881	1.1
230.96114	0.8
241.95334	0.6
242.96054	1.3
243.96822	0.9
244.97688	1.0
252.98138	1.2
258.95425	0.5
267.96823	1.4
268.97543	0.9
298.98740	1.5
325.00009	0.6
327.01831	0.7
368.99490	0.8
371.00781	2.4
387.00336	1.4
405.01627	2.4
485.32953	1.9
486.33368	1.5
487.33401	1.2
585.24005	0.5
855.32483	4.3
856.32556	1.0
891.34808	25.1
892.35095	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
67.09866	0.6
70.94086	1.0
70.94432	0.7
71.01387	1.2
72.99285	1.5
73.72256	0.6
79.95747	0.8
83.01354	0.6
85.02914	0.6
94.98101	0.6
96.96017	26.2
97.02970	0.7
97.95956	0.6
98.94976	0.8
98.95602	11.4
98.96416	2.2
99.00890	1.3
99.04523	1.5
99.92592	36.4
100.92600	2.0
100.93366	3.8
114.93443	0.7
114.94968	1.0
115.92090	49.8
116.92870	100.0
117.92889	6.0
127.00462	0.7
138.98569	1.6
139.95673	0.7
140.96521	1.3
141.93593	3.1
142.94431	1.2
156.96066	0.7
158.93916	1.2
161.04570	2.1
168.95961	0.6
169.93103	3.8
170.94008	0.9
182.97531	7.7
183.94701	1.2
183.97876	0.6
184.95465	2.3
198.97037	1.6
199.97667	0.7
224.94998	1.0
225.95787	0.8
226.96553	11.6
227.96794	0.8
242.96098	1.9
243.96884	1.6
252.98236	1.3
267.96857	1.1
268.97699	1.5
296.97098	0.9
298.98669	1.7
350.04352	0.7
368.99258	1.4
373.28625	0.6
387.00433	1.5
397.99515	0.6
405.01535	2.1
587.27130	1.2
667.80481	0.7
893.36499	22.4
894.36456	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	18.9
72.99299	1.9
73.02952	1.3
73.18379	0.6
83.01384	1.3
85.02960	4.9
85.62200	0.5
87.00864	0.9
89.02451	23.2
95.01400	1.6
97.02914	0.5
99.00893	0.7
101.01814	1.2
101.02447	14.7
106.16284	0.6
109.02974	3.8
113.02464	9.6
119.03513	8.9
124.05307	0.8
125.02462	1.0
131.03476	0.7
133.06615	7.1
137.06071	1.0
139.07648	5.5
143.03494	0.9
149.04678	0.7
149.06111	1.6
161.04561	2.4
177.01889	0.8
179.05670	1.5
187.11351	0.7
205.12347	2.6
206.05147	0.7
217.12344	1.5
235.13417	0.7
330.13211	10.0
331.13992	8.1
341.06870	0.7
397.18872	2.1
441.17670	100.0
442.17996	12.3
553.08209	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
68.30722	1.0
69.42983	5.0
78.71577	1.1
81.03456	2.4
83.01394	3.5
83.05026	1.0
93.03452	2.9
95.01408	1.6
95.05053	1.1
97.02972	2.3
107.05008	2.5
109.02958	12.4
121.02989	7.6
123.04528	6.3
124.01670	1.6
124.26729	1.0
125.02455	88.3
126.02799	2.8
131.05043	2.0
133.02968	5.2
135.04512	1.8
136.93500	1.0
137.02454	17.1
138.03221	1.1
138.58154	1.0
139.04018	2.4
147.00812	1.2
149.02437	10.1
149.06125	1.2
150.03209	1.4
151.04019	18.0
159.04546	1.2
160.05287	1.1
161.02470	3.4
161.06117	1.7
162.03148	1.2
163.00391	1.8
163.04018	3.9
164.01158	4.5
165.01945	6.6
167.03513	3.8
169.25667	1.2
175.02533	1.5
175.04012	22.1
176.01163	1.9
177.01938	100.0
178.02361	4.5
179.03508	3.2
187.04057	5.2
188.04774	1.1
189.01970	2.9
189.05583	1.5
191.03474	3.8
193.05063	2.4
199.04030	7.9
200.04288	1.2
201.01949	1.8
203.03461	2.1
203.07169	3.8
205.05048	4.0
213.05525	1.3
214.02704	1.2
215.03459	1.6
217.05089	11.2
219.02974	6.8
225.05626	1.3
227.03450	1.4
229.05080	2.9
229.32875	1.1
231.03073	2.4
243.02986	41.5
244.03323	2.7
245.04637	1.9
245.08241	6.3
247.06259	1.5
255.03004	11.2
256.03647	2.8
257.04489	2.0
259.06177	1.7
261.04028	17.1
262.04480	1.7
266.75183	1.1
269.04608	3.0
273.03992	2.5
281.04449	3.1
283.02469	3.2
284.02991	1.3
285.04028	3.2
289.07211	22.3
290.07556	1.7
293.04376	1.1
301.03677	1.3
303.05130	23.8
305.06815	1.5
315.05167	2.4
315.08798	1.1
339.08722	1.5
341.06848	1.9
347.05496	1.3
373.03967	1.0
381.09912	1.4
383.07919	1.3
391.04672	3.3
403.04785	1.5
407.07745	17.8
408.07932	2.2
421.05823	4.5
425.08719	10.2
426.09369	1.1
429.08350	4.6
439.06598	2.6
441.08289	1.8
466.30630	1.2
467.09924	7.0
481.07816	3.1
525.08490	5.8
543.09503	12.9
544.09595	2.8
559.08734	3.4
561.10291	2.9
593.13110	6.5
594.13409	1.1
603.11432	2.2
607.11127	1.5
652.76404	1.2
711.13684	13.7
712.13831	2.9
729.14471	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00316	1.1
66.28618	1.1
67.01885	1.5
67.55409	1.3
74.99692	1.2
83.01389	3.0
93.03465	2.9
95.05023	1.2
95.18449	1.2
97.02887	1.2
107.05051	3.2
109.02958	11.6
121.02995	7.9
123.04508	7.0
124.01675	1.8
125.02459	85.5
126.02783	2.0
131.05025	1.8
133.02948	5.5
135.04550	2.5
137.01465	1.5
137.02464	14.5
139.04019	2.3
147.04507	1.5
149.02451	12.1
151.04016	15.6
159.04405	1.6
161.02475	4.5
161.06088	1.8
163.00368	3.2
163.03993	5.8
164.01147	4.2
165.01921	6.1
167.03479	4.4
173.06041	1.5
174.03316	1.7
175.04004	24.6
176.01205	1.6
177.01942	100.0
178.02290	3.9
179.03490	2.8
185.06087	1.4
187.03992	5.7
188.04681	1.4
189.01944	4.2
190.02692	1.6
191.03566	3.9
193.05113	1.7
199.03987	9.0
201.01888	1.4
201.05640	1.5
201.88441	1.1
203.03540	1.4
203.07164	3.3
205.05061	5.0
211.04060	1.3
213.05498	2.3
215.03468	2.8
217.01358	1.5
217.05046	12.8
219.02977	9.1
227.03572	1.8
228.04280	1.8
229.05067	2.1
231.03030	3.2
241.04980	1.9
243.02983	40.7
244.03400	2.8
245.04494	1.4
245.08186	5.5
247.06001	1.7
255.02957	8.3
256.03708	3.5
257.04498	2.6
261.04044	20.6
262.04233	2.2
269.04617	3.3
271.05801	1.6
273.04068	3.1
281.04529	5.2
283.02582	1.8
285.04092	4.1
286.47815	1.3
287.05695	2.1
289.07199	23.1
290.07556	1.9
293.04678	2.0
297.03992	1.7
303.05121	22.3
304.05484	2.3
315.05112	1.7
339.08978	1.3
347.05609	1.6
365.06863	1.4
374.04352	1.5
381.09848	1.4
383.07712	2.1
391.04614	3.6
407.07758	22.7
408.08072	3.3
411.07291	1.5
421.05661	4.3
423.07126	1.7
425.08698	10.5
426.09052	2.4
429.08157	5.5
439.06577	3.2
441.08380	2.3
465.08426	1.5
467.09998	5.5
481.07953	2.0
525.08325	7.0
543.09204	12.7
544.09808	1.4
559.08661	3.4
560.09729	1.7
561.10004	5.7
593.13025	5.2
594.13293	1.5
603.11517	2.4
711.13409	13.3
712.13544	2.3
729.14795	3.3
745.13977	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01905	2.4
69.87361	5.4
83.01390	5.5
88.98809	2.0
93.03442	3.5
95.01371	1.7
97.02965	3.4
105.03526	1.4
107.05064	3.5
109.02939	16.8
121.02966	6.7
123.00928	2.5
123.04554	8.1
124.01653	1.3
125.02459	100.0
126.02770	3.4
131.05052	2.2
133.02940	4.8
135.04559	1.7
137.02452	18.3
139.04025	5.8
147.04575	1.7
149.02458	9.9
151.04021	13.7
161.02492	9.0
161.06116	1.8
163.00374	2.2
163.04041	4.3
164.01132	7.2
165.01973	7.5
167.03510	6.5
175.04013	23.8
176.01118	1.8
177.01944	98.4
178.02332	6.5
179.03554	3.1
185.06044	1.7
187.04022	6.7
188.04726	1.6
189.01987	3.1
191.03537	4.7
193.05154	2.8
199.03990	6.5
201.01869	2.9
201.05624	2.6
203.03468	2.9
203.07170	3.9
205.01450	2.0
205.05070	5.0
211.04025	2.0
217.01389	1.6
217.05089	12.2
219.03017	10.4
219.06606	1.9
227.03513	2.9
229.05096	2.9
231.03009	2.7
239.03529	1.5
241.05246	1.7
243.02977	44.4
244.03387	4.1
245.04573	1.8
245.08195	3.4
255.03009	13.9
256.03687	4.4
257.04568	3.4
259.06131	2.7
261.04037	15.5
262.04333	1.7
269.04544	4.9
273.04044	4.1
281.04654	2.9
283.02441	3.9
285.04013	3.9
287.05655	3.2
289.07187	18.9
295.02548	2.5
297.04047	2.9
303.05109	22.5
304.05377	2.4
305.06747	9.5
315.05048	2.9
381.09476	1.6
391.04623	2.3
407.07721	16.3
408.08234	3.0
413.08749	3.6
421.05850	3.8
423.07037	10.8
424.07550	1.8
425.08704	9.9
426.09189	1.9
429.08307	6.0
439.06741	4.5
441.08383	5.1
467.09799	5.1
481.07697	3.6
488.85532	1.5
525.08466	5.1
531.29315	1.6
541.07886	2.2
543.09277	10.2
544.09741	1.7
559.08887	4.2
561.10236	2.8
593.13202	6.8
594.13800	1.7
607.10944	2.7
609.12408	2.9
711.13580	12.9
712.13080	2.1
729.14697	2.8
753.42145	1.5
897.19647	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00319	1.6
70.88972	1.7
71.14750	3.0
74.25343	1.6
83.01424	2.0
87.13029	1.7
97.02956	2.0
99.04527	17.3
101.02443	6.6
107.01400	2.0
109.02975	9.0
111.00907	1.9
123.04536	4.9
125.02450	30.4
126.02779	2.6
135.04555	2.4
137.02434	7.8
145.02979	6.8
149.02431	3.1
151.00401	11.4
151.04013	4.4
159.04523	4.5
161.04582	46.6
161.05914	2.8
162.04959	2.4
163.00368	2.6
165.01929	3.3
175.07664	1.9
178.99866	4.3
179.03500	2.4
185.05988	2.2
187.04047	3.6
201.05637	2.1
203.07144	7.3
205.05153	4.1
227.03467	2.7
227.07233	2.6
229.04971	1.6
230.02174	2.2
243.03003	8.1
245.08199	6.7
253.05063	9.4
254.02226	2.2
255.02974	20.0
256.03232	2.2
271.02518	43.8
271.06119	51.8
272.02783	3.0
272.06454	4.2
273.03879	2.3
283.05042	1.9
289.07205	56.1
290.07532	5.1
300.02771	77.0
301.03476	33.7
302.03812	2.3
313.07117	2.6
397.76193	1.8
433.11423	21.0
434.11304	1.9
463.08841	100.0
464.09256	12.7
467.63089	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	3.2
69.39330	5.0
69.39738	2.0
71.01390	19.0
71.05012	1.8
71.31090	0.9
72.99310	1.8
73.02941	2.4
83.01395	1.4
83.05024	1.0
85.02969	3.7
87.00868	3.8
89.02459	15.5
95.01387	1.6
97.02977	2.7
99.00899	1.1
101.02446	11.7
110.63784	1.0
113.02470	7.2
119.03519	5.4
125.02452	6.9
126.08358	1.0
139.22461	0.9
143.03491	2.1
144.68822	0.9
161.04552	3.8
167.10754	3.7
177.12804	1.0
179.05650	5.1
179.14383	4.2
184.91594	1.0
195.13910	16.6
196.14316	1.2
205.12381	8.4
221.06715	1.5
223.13406	74.5
224.13799	6.1
235.08218	3.9
253.09218	1.1
256.13214	1.4
275.20212	5.5
287.07809	1.7
293.21265	100.0
294.21585	10.0
305.08765	1.6
341.23071	1.1
379.12503	2.2
397.13547	30.4
398.13812	2.3
415.14609	12.4
416.14886	1.5
603.26208	3.2
619.80103	1.3
621.27673	6.8
691.35474	2.1
897.48499	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5079
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	100.0
75.00875	8.7
83.01379	6.1
85.02953	8.3
89.02462	20.1
90.57365	4.6
91.36792	4.3
97.02921	6.7
101.02451	15.5
109.06609	5.4
113.02441	8.7
116.92833	4.5
119.03465	5.1
125.02470	5.5
144.51605	4.4
170.87299	4.0
171.10286	33.2
181.12256	4.5
199.09721	9.9
201.11279	10.9
207.10269	19.6
221.11861	7.2
225.11322	8.8
255.23303	71.7
256.23785	11.0
263.07727	4.6
397.13446	21.3
403.33450	4.7
620.49512	4.8
723.65430	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
68.39870	14.9
70.38514	13.4
71.01376	23.9
71.32042	18.5
76.44054	12.7
78.95947	12.9
96.96011	13.9
99.57791	14.0
102.87547	12.7
125.02454	100.0
127.77895	14.0
137.02458	33.6
151.04114	30.0
154.43373	15.8
161.02432	18.6
164.01225	15.4
165.02017	31.6
173.04599	18.0
175.04016	18.2
191.05661	39.8
209.11844	46.6
289.07150	40.4
321.57742	13.8
461.39340	21.8
574.99506	16.9
653.74292	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.205
Annotation	Unknow
Peak:m/z	Relative Intensity
66.22955	0.8
66.92698	0.7
69.01239	5.1
69.01656	2.4
74.74907	0.9
76.93027	0.7
93.03448	1.2
95.05022	0.9
98.22558	1.5
107.01431	1.8
108.02216	1.0
109.02969	16.2
116.26105	0.8
119.17714	0.7
120.34256	0.7
121.03020	1.7
123.04548	8.7
133.02950	2.7
135.00890	0.9
145.03003	1.1
147.04514	2.1
149.02466	1.2
151.00354	4.6
151.04036	4.6
159.04593	0.9
161.02444	6.4
163.00359	1.8
173.04504	0.9
177.01942	20.1
178.02217	1.3
178.99837	2.3
187.04013	1.2
189.01950	37.2
190.02734	8.4
191.03502	8.4
191.05586	2.7
192.05904	1.0
197.31252	0.8
201.01907	1.2
203.03542	4.7
216.00700	5.6
217.01430	30.2
218.02055	3.4
219.02985	12.1
227.03473	1.2
231.03004	9.2
232.03571	1.4
233.04591	1.2
243.03030	2.8
255.03059	7.8
256.03305	1.7
271.02487	12.9
272.02808	5.3
273.03241	2.2
275.09244	1.3
276.09488	0.9
281.04584	1.1
289.07202	1.4
290.61002	0.8
299.05594	1.1
300.02765	22.6
301.03439	22.9
302.03619	8.7
303.03830	4.4
304.04288	1.7
305.04974	0.9
323.05658	1.1
341.06674	85.8
342.06979	8.4
447.09354	25.3
448.09720	10.0
449.09857	11.0
450.09732	3.8
451.10367	100.0
452.10666	16.3
784.12177	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
62.55501	0.6
66.20516	0.7
68.20507	0.6
69.07493	2.5
69.07922	2.8
74.02477	0.7
87.28957	0.6
100.97161	0.7
100.97832	0.7
107.01389	2.0
108.02220	1.2
109.02962	1.0
114.26588	0.6
121.02927	1.7
125.02456	1.9
141.50674	0.7
148.01694	0.9
151.00385	6.8
152.79176	0.6
161.02493	0.8
163.00386	1.6
177.02039	0.7
178.99863	3.1
226.02702	0.8
227.03500	2.5
229.04974	1.0
240.57231	0.7
243.02982	6.4
245.04562	0.8
254.02258	1.8
255.02998	17.8
256.03381	1.1
271.02502	37.5
272.03033	4.1
289.07275	0.9
299.01807	1.1
300.02780	68.6
301.03470	25.8
302.04099	0.8
329.03329	0.8
343.04666	1.4
414.67673	0.7
609.14618	100.0
610.14874	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
65.47272	0.6
67.95212	0.5
69.22465	4.7
71.01388	23.3
71.32629	0.5
72.99304	2.3
73.02958	2.5
83.01408	1.2
85.02964	4.6
87.00882	1.1
89.02451	25.5
95.01392	1.2
101.02450	13.3
102.02763	0.7
113.02467	9.5
113.03260	0.6
114.02842	0.6
119.03518	9.3
124.64582	0.6
125.02396	0.6
131.03421	0.7
137.09731	4.6
143.03513	1.0
143.07149	2.5
155.10791	100.0
156.11086	4.7
161.04611	1.7
179.05611	6.6
196.83127	0.5
199.09772	70.4
200.10141	2.7
217.10774	4.8
243.03192	0.5
248.09267	0.9
285.08798	1.9
293.77393	0.5
375.16531	2.4
379.16104	95.6
380.11688	0.6
380.16507	8.7
441.17542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
66.16666	1.7
69.44978	7.3
69.45378	3.4
69.50426	1.7
81.03445	2.5
83.01392	8.3
95.05058	1.9
97.02959	6.4
98.22417	3.4
107.05045	2.4
109.02953	23.3
117.03484	2.1
121.02952	8.0
122.03764	2.5
123.04520	16.7
125.02452	36.7
132.53143	1.8
133.02968	3.4
135.04517	3.7
137.02454	41.6
139.04025	4.0
146.03728	2.4
147.04536	4.0
149.02489	12.4
150.03227	3.4
151.04028	15.3
159.04529	6.3
161.02463	30.7
161.06119	6.6
162.03125	2.9
163.04027	5.2
164.01141	7.4
165.01947	33.7
166.02112	1.9
167.03494	2.9
173.06070	4.0
175.04018	11.8
177.01939	6.4
179.03508	6.8
187.04074	5.9
188.04825	2.5
189.01999	4.3
191.03607	3.8
199.04048	3.1
201.05571	6.8
201.70180	2.2
202.06325	2.3
203.03595	5.0
203.07169	9.2
205.05028	9.0
213.05569	2.4
217.05063	3.7
225.05623	4.4
227.03572	5.5
228.04224	3.7
229.05064	5.3
230.05887	2.8
231.02931	2.3
240.04866	2.3
241.04964	8.9
242.05798	2.1
243.02986	3.1
243.06802	3.8
245.04539	2.2
245.08206	17.5
247.06137	5.1
257.04828	2.2
259.06082	5.3
269.04547	13.9
287.05676	29.1
288.05914	2.9
289.07227	100.0
290.07581	8.0
291.74905	1.8
299.07846	5.1
311.05655	2.3
393.09851	7.2
409.09357	2.4
439.10306	4.3
449.11017	26.4
450.11346	4.0
451.12485	37.5
452.12521	4.7
476.20514	2.1
510.52145	1.9
559.12665	2.7
577.13745	15.8
578.13660	2.5
589.84955	2.2
601.14978	3.6
610.16406	1.7
643.74115	2.4
739.06659	3.1
739.18829	42.2
740.18982	9.1
749.18475	2.1
852.04279	2.2
901.23517	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99577	2.7
69.03478	1.1
69.07652	5.9
71.01388	14.7
72.99324	1.4
73.02948	1.9
76.01529	0.5
80.02694	1.7
81.03455	2.4
83.01392	1.9
83.05038	6.7
84.02180	0.6
85.02960	3.9
87.00890	3.6
87.97575	0.6
89.02454	13.1
89.02966	1.1
95.01399	1.5
95.05065	1.4
96.96036	2.1
97.02966	2.1
98.21723	1.0
99.00875	1.4
100.15454	0.5
101.02445	11.2
111.08135	0.9
112.98566	1.7
113.02460	6.4
119.03491	3.3
125.02460	4.6
135.08183	0.7
143.03528	2.3
144.22382	0.5
161.04562	2.5
163.11319	5.1
165.12837	2.6
167.03467	0.8
179.05653	3.5
179.14441	0.9
181.12401	1.5
191.10861	1.7
195.13893	7.3
196.14589	0.7
201.35947	0.6
205.12381	0.7
209.11842	100.0
209.50372	0.6
210.12234	5.7
211.13443	1.0
221.06569	1.1
223.13425	4.2
227.12930	12.5
228.13422	1.5
235.08279	4.2
253.09308	1.0
256.13336	1.3
275.20139	4.8
287.07657	1.3
293.21243	90.9
294.21582	8.2
305.08551	1.1
317.68826	0.6
323.09647	0.9
379.12418	2.1
397.13510	33.5
398.13751	2.2
415.09436	1.0
415.14600	13.2
607.25903	2.2
682.35675	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
65.23828	0.8
68.99561	1.8
69.03451	1.3
71.01385	16.6
71.32205	1.4
71.62748	0.7
72.99316	1.9
73.02943	2.2
80.02702	1.5
81.03460	1.5
83.01378	2.3
83.05033	5.2
84.02168	0.9
85.02944	3.0
87.00894	4.5
89.02448	14.1
95.01395	1.4
96.94678	0.7
96.96017	2.3
97.02960	2.6
101.02441	9.6
112.98564	0.8
113.02483	6.3
119.03500	2.5
125.02448	4.2
135.08160	1.2
136.58124	0.8
143.03542	2.6
161.04622	1.9
163.11319	5.1
165.12845	2.9
171.10274	2.0
179.05629	3.3
181.12361	0.7
195.13931	5.8
209.11842	100.0
210.12216	6.0
211.13480	0.9
221.06642	1.5
223.13329	4.6
227.12894	12.0
231.21268	0.8
235.08273	4.6
253.09291	1.0
256.12997	1.1
275.20178	6.9
276.20285	1.0
287.07721	1.3
293.21249	90.8
294.21564	7.2
305.08899	1.4
379.12372	2.0
389.09796	0.8
397.13559	28.8
398.14017	3.5
415.14597	11.5
456.47830	0.8
754.01770	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08386	2.2
69.08807	2.5
71.01386	21.7
72.99297	2.5
73.02951	2.4
80.39396	0.4
83.01397	0.9
84.71138	0.4
85.02956	6.6
87.00890	0.8
89.02452	20.6
92.76288	0.4
93.72312	0.5
95.01379	1.6
97.07458	0.4
101.02449	10.5
108.02301	0.4
113.02467	7.7
119.03510	8.1
119.04935	0.5
125.02448	1.0
131.03506	0.8
135.04550	0.4
135.08118	1.0
137.08754	0.7
137.09726	7.4
143.03505	1.4
143.07195	1.2
149.04504	0.5
155.10793	100.0
156.11130	5.1
161.04561	1.4
179.05627	4.9
181.08658	1.2
191.05644	1.6
199.09764	82.7
200.10101	4.1
201.10239	0.5
217.10794	2.4
238.80142	0.4
241.10837	2.3
259.11768	0.7
285.08804	0.6
301.12949	1.4
343.13684	0.7
361.15094	6.4
379.16116	86.7
380.16455	7.6
381.16736	0.9
439.56033	0.5
501.97537	0.5
527.91095	0.5
539.40393	0.6
540.01117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02387	0.3
65.00320	0.8
66.23466	0.3
69.00533	0.7
69.00931	2.2
71.01388	5.2
83.01362	0.8
85.02942	1.0
87.00907	0.3
89.02444	3.7
92.09997	0.4
93.03474	0.4
95.01344	0.3
101.02441	3.2
107.01406	1.7
108.02171	0.8
109.02924	1.7
113.02452	1.9
119.01408	0.3
119.03497	1.3
120.96378	0.3
121.02944	1.1
125.02448	0.8
133.06601	1.0
135.00829	0.4
139.07655	1.1
148.01692	0.5
149.06104	0.3
151.00380	7.3
161.04538	0.4
163.00363	1.6
164.01062	0.3
178.99863	3.6
179.05551	0.5
183.04437	0.4
199.03922	0.4
211.04099	0.8
215.03474	0.6
216.04301	0.4
217.12347	0.4
226.02646	1.0
227.03502	2.1
229.04962	0.3
243.02954	7.3
244.03607	0.4
245.04506	0.9
254.02240	1.6
255.02992	17.0
256.03354	1.2
271.02487	36.4
272.02936	3.2
273.04102	0.7
283.02515	0.8
283.09528	1.6
299.01996	0.7
300.02765	67.6
301.03479	29.0
302.03839	1.9
330.13226	2.1
331.13913	1.3
441.17697	25.5
442.17865	2.3
452.78159	0.3
463.08856	100.0
464.09143	11.1
905.33154	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31924	10.6
73.14453	6.6
81.89407	7.1
84.84216	6.5
90.31828	7.6
96.96013	27.8
99.67413	6.2
99.92598	11.2
101.02463	8.4
116.92880	48.8
122.69545	7.2
131.73085	6.9
134.87323	7.3
153.09235	8.9
161.04611	8.0
171.10272	18.4
209.11804	46.0
253.09308	8.5
289.18036	14.1
307.19171	100.0
308.19681	8.0
325.20190	53.9
543.28015	33.0
833.46490	16.2
851.47992	10.0
869.48511	10.0
905.47150	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	12.2
82.95399	12.5
85.00435	22.1
89.02467	18.4
95.62782	7.6
101.02449	17.5
125.02409	9.7
160.98515	7.8
162.45253	7.2
166.84915	9.2
168.04971	8.2
209.11850	100.0
255.23312	63.8
289.73398	7.8
333.12061	10.4
379.12634	11.5
397.13574	59.1
415.14697	16.2
440.46927	8.7
819.71075	9.4
830.08691	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	0.2
69.00334	1.7
71.01360	0.2
77.82626	0.1
85.02959	0.2
89.02494	0.2
93.03470	0.6
98.21778	0.2
101.02448	0.2
101.93491	0.2
105.91897	0.2
109.02951	0.4
113.02454	0.2
120.41392	0.2
121.02960	4.3
123.04523	0.2
124.41685	0.1
125.34476	0.2
127.52956	0.2
134.03763	0.3
135.04533	3.0
136.01717	0.2
137.02452	0.6
147.04610	0.2
149.02451	30.9
150.02794	1.1
151.04007	0.5
152.01170	6.0
153.09219	0.7
163.04028	5.2
164.04803	23.5
165.01953	1.6
165.05081	1.0
166.02609	0.2
167.03528	0.8
169.05064	3.0
171.33830	0.2
179.03642	0.3
179.07147	9.5
180.04289	0.3
180.07483	0.6
190.55930	0.1
193.01422	14.3
194.01793	0.6
195.03000	0.2
197.08170	0.9
207.03021	0.2
208.03775	37.8
209.04140	1.8
223.06123	100.0
224.06485	5.0
265.07202	0.5
299.11377	0.4
359.13522	0.6
377.06329	0.2
385.11435	24.0
386.11810	2.2
496.34238	0.2
498.94263	0.2
519.23584	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	0.2
69.00334	1.7
71.01360	0.2
77.82626	0.1
85.02959	0.2
89.02494	0.2
93.03470	0.6
98.21778	0.2
101.02448	0.2
101.93491	0.2
105.91897	0.2
109.02951	0.4
113.02454	0.2
120.41392	0.2
121.02960	4.3
123.04523	0.2
124.41685	0.1
125.34476	0.2
127.52956	0.2
134.03763	0.3
135.04533	3.0
136.01717	0.2
137.02452	0.6
147.04610	0.2
149.02451	30.9
150.02794	1.1
151.04007	0.5
152.01170	6.0
153.09219	0.7
163.04028	5.2
164.04803	23.5
165.01953	1.6
165.05081	1.0
166.02609	0.2
167.03528	0.8
169.05064	3.0
171.33830	0.2
179.03642	0.3
179.07147	9.5
180.04289	0.3
180.07483	0.6
190.55930	0.1
193.01422	14.3
194.01793	0.6
195.03000	0.2
197.08170	0.9
207.03021	0.2
208.03775	37.8
209.04140	1.8
223.06123	100.0
224.06485	5.0
265.07202	0.5
299.11377	0.4
359.13522	0.6
377.06329	0.2
385.11435	24.0
386.11810	2.2
496.34238	0.2
498.94263	0.2
519.23584	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.362
Annotation	Unknow
Peak:m/z	Relative Intensity
65.85430	0.5
69.24042	4.7
71.01383	1.5
72.69114	0.6
73.02959	2.4
79.95779	0.6
85.02944	0.9
87.04527	2.0
89.02428	1.4
90.41483	0.5
92.77331	0.5
95.01424	0.6
96.96030	2.6
101.02464	1.8
113.02471	2.0
135.08241	1.3
137.09743	7.6
150.03238	0.5
151.03978	1.1
155.10788	83.8
156.11104	4.2
161.09578	0.6
167.00156	0.7
173.04550	0.6
179.10820	2.5
181.08636	0.6
191.05702	0.7
199.09767	100.0
200.10115	4.1
202.06354	0.6
213.11220	0.6
223.09845	4.2
241.10872	2.6
261.86655	0.6
361.15070	12.1
362.15384	0.7
385.15109	6.2
441.12283	5.0
457.27167	0.6
671.89459	0.7
714.44379	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	5.0
69.03446	1.2
71.01379	3.2
72.13161	0.5
77.98209	0.6
81.03455	1.3
83.05026	1.3
85.02945	6.4
87.00888	6.9
89.03977	1.0
93.03468	41.0
94.03798	1.0
96.96027	1.3
98.22157	4.2
99.00888	0.7
99.04513	0.9
108.51136	0.6
109.02955	1.4
111.04536	5.2
113.02477	1.0
117.03457	2.0
121.02962	1.1
123.04550	0.6
124.01702	1.1
125.02467	3.0
127.04054	2.0
129.01932	0.9
132.02190	2.6
133.02969	2.7
134.03769	9.5
135.04556	17.9
137.02440	3.0
149.02484	0.9
150.03232	1.4
151.04015	2.3
155.03526	1.5
160.01680	8.0
161.02406	2.5
162.03148	2.6
171.02994	0.7
173.04561	15.8
175.03957	0.7
177.01910	2.6
178.02682	1.8
179.03517	4.0
191.05626	100.0
192.05922	3.8
251.84833	0.6
257.08221	5.6
263.62332	0.6
275.09262	8.5
289.07281	0.9
307.08258	1.4
308.09055	3.5
351.07248	3.7
352.07990	8.1
374.84402	0.7
413.20093	1.4
449.14560	51.3
449.27747	1.5
450.14890	7.7
519.68768	0.7
732.36578	0.7
812.98285	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45570	5.9
69.45947	2.0
81.03449	1.7
83.01394	3.3
93.03485	4.0
95.05059	1.0
97.02925	1.5
107.05061	3.9
109.02962	12.8
111.04538	1.6
120.57958	0.9
121.02954	8.0
123.00919	4.0
123.04552	1.9
124.01686	3.3
125.02455	100.0
126.02789	3.1
133.02971	4.7
135.04553	2.2
137.02455	21.9
139.04048	9.0
147.04483	1.5
149.02458	10.9
151.04002	13.0
161.02461	3.8
163.00375	3.1
163.04021	4.7
164.01126	6.3
165.01947	10.8
166.02585	2.0
167.03502	9.9
173.06117	1.9
175.00574	1.3
175.04024	22.6
176.01147	2.1
177.01939	97.2
178.02287	5.4
179.03529	6.1
182.48399	1.1
187.04037	4.6
189.01947	2.5
190.02742	1.2
191.03497	5.8
193.05122	2.1
199.04007	9.8
201.01958	3.0
201.05571	1.8
203.03528	3.4
204.04187	1.6
205.01419	1.9
205.05032	1.4
211.04086	1.5
213.05571	1.7
215.03462	2.6
217.01511	2.9
217.05048	11.4
219.03035	8.3
219.06647	3.6
221.04597	2.2
227.03555	1.7
229.01411	2.0
229.05028	4.5
231.02922	2.4
241.05083	1.8
243.02988	43.4
244.03447	2.4
253.04791	1.5
255.03024	14.9
255.05507	1.7
255.06537	0.9
256.03830	2.6
257.04559	2.5
259.02463	1.1
259.06155	2.8
261.04034	21.3
261.06940	1.5
262.04303	1.1
263.05624	1.7
267.02948	1.3
269.04605	3.8
271.06305	1.1
273.04016	3.1
283.02502	6.8
285.04077	4.3
293.04303	2.1
295.02536	2.3
297.04150	3.4
299.05463	1.3
303.05145	22.1
304.05542	2.0
305.06726	34.2
306.06967	2.6
315.05188	3.5
331.08331	1.5
379.04495	2.3
391.04654	3.1
421.05710	3.9
423.07211	31.2
424.07629	3.2
429.08286	6.4
439.06699	4.6
441.08420	10.8
442.08759	1.5
465.08417	1.6
481.07767	3.2
483.09442	8.5
541.07898	12.4
542.08118	1.6
559.08893	14.4
560.09204	2.2
574.16980	1.6
577.09821	3.3
578.09460	1.4
601.09509	2.3
607.10931	2.7
609.12390	8.1
610.12732	1.8
619.10907	2.4
709.12433	1.8
727.13025	11.6
728.13123	3.2
745.14392	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
64.68326	1.6
71.31689	2.9
85.02948	7.9
87.00869	5.4
93.03454	5.7
109.02946	2.0
111.04511	3.4
125.02441	2.6
127.03985	3.3
128.64781	1.6
133.02995	2.2
155.03531	4.2
159.04523	4.7
167.54253	1.5
172.05310	8.1
173.04543	11.5
173.06050	9.1
174.06792	2.4
175.07645	2.3
187.04007	6.7
187.07658	51.8
188.08043	3.2
191.05627	100.0
192.05956	4.1
197.90723	1.5
200.04771	4.9
201.05579	9.0
201.09248	2.5
202.06349	21.2
203.06816	2.0
203.10823	3.0
213.09230	15.4
215.07133	18.0
216.08002	1.9
227.03575	2.1
228.04247	2.0
229.08731	12.5
230.09174	3.7
231.06816	9.5
231.10280	34.7
232.10529	2.9
247.09923	1.8
255.02937	3.8
257.08176	16.1
258.08530	1.7
271.02472	9.6
275.09277	79.3
276.09637	8.0
283.15573	1.9
289.55029	1.8
295.08572	1.5
300.02762	11.9
301.03448	5.2
302.03769	1.7
359.50226	1.5
431.70178	1.7
436.36795	1.8
449.14572	69.1
450.15085	9.4
463.08823	15.7
464.09494	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
68.65121	1.8
69.21136	14.3
76.72364	1.7
83.01396	3.9
85.02958	5.6
87.67246	2.0
93.03475	4.3
95.05032	1.7
96.34745	1.8
97.02988	5.1
107.05059	1.9
109.02967	20.6
119.05038	51.5
121.02934	2.5
123.04531	17.3
123.42503	1.8
125.02456	100.0
126.02802	3.2
133.02945	3.8
135.04572	2.6
137.02464	22.5
145.02925	2.3
149.02431	5.5
151.04034	13.1
159.04510	3.8
161.02466	29.8
161.06097	4.8
162.03120	2.9
163.00438	2.3
163.04019	79.4
164.01129	4.6
164.04341	3.7
165.01933	5.1
167.40533	1.8
173.04549	3.6
175.04022	13.1
177.01945	8.6
179.03503	6.1
187.04022	7.0
188.04790	4.4
191.05609	45.0
192.05852	2.9
201.05672	2.3
203.03493	1.8
203.07138	13.5
205.01437	4.0
205.04962	8.5
215.03581	2.4
221.08247	1.9
227.07253	2.5
229.05067	2.6
231.03004	2.6
243.02995	3.2
245.04628	4.9
245.08159	17.6
246.37088	1.7
255.03003	7.9
256.03693	9.1
257.04654	2.0
269.04593	3.4
271.06180	2.6
273.04028	6.5
281.04590	6.1
285.03955	2.0
287.05591	16.0
289.07205	65.9
290.07635	4.9
299.05582	10.5
337.09283	24.1
338.09576	3.0
339.08832	5.7
407.07733	70.5
408.08136	8.8
425.08850	56.3
426.09149	6.6
451.10342	21.0
452.10666	3.7
507.83102	1.8
559.12494	2.1
577.13586	46.0
578.13818	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01889	0.9
69.03434	0.9
69.09795	5.9
71.01384	1.0
73.02943	0.9
77.11580	0.6
81.03466	0.9
83.01410	1.7
85.02961	7.9
87.00895	1.7
93.03489	4.9
95.05028	1.1
97.02964	2.0
98.21796	1.3
109.02966	8.6
111.04482	1.0
117.03489	0.7
119.05068	0.8
121.02946	2.2
123.04510	6.2
125.02460	65.2
126.02762	1.4
127.04017	2.1
131.05045	0.7
133.02974	1.1
135.04507	0.8
137.02457	14.8
139.04001	2.6
145.02960	1.7
149.02429	2.6
151.04013	7.0
157.83325	0.7
159.04498	1.2
161.02467	18.3
161.06117	1.9
162.03146	1.3
163.00352	0.8
163.03990	3.1
164.01152	2.3
165.01953	2.7
167.03554	1.1
173.04578	1.6
175.04044	4.9
177.02000	2.9
179.03493	1.6
185.06078	0.6
187.04068	3.6
188.04681	1.0
191.05626	100.0
192.05983	2.0
201.05553	1.0
203.03502	0.7
203.07176	4.4
205.01457	1.1
205.05107	3.8
213.05676	0.8
215.03394	0.8
217.05045	1.2
227.03333	0.7
227.07115	0.9
229.05096	1.5
235.09651	0.7
245.04561	2.4
245.08142	8.4
246.08508	1.4
255.03018	3.1
256.03702	1.4
257.04587	0.9
269.04623	0.9
273.04102	4.4
281.04599	1.5
283.02417	1.2
285.04080	1.2
287.05591	9.0
288.06128	0.8
289.07211	43.5
290.07590	3.6
297.03625	0.7
299.05719	3.5
337.09341	14.3
338.09567	1.2
339.08984	1.3
381.09631	1.5
407.07727	26.0
408.08212	3.3
425.08826	31.7
426.09265	4.7
427.70947	0.7
451.10339	9.4
452.11148	1.1
494.79459	0.8
497.40399	0.6
559.12329	1.0
577.13531	19.5
578.13678	3.2
688.53870	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	1.3
69.18305	2.1
69.18725	3.4
69.29262	0.7
71.01356	1.0
78.04108	0.7
79.68102	0.6
85.02940	2.1
87.00883	1.6
89.63599	0.7
93.03467	11.0
104.16416	0.8
107.01380	2.1
109.02963	6.3
111.04504	2.1
121.02966	4.2
121.05079	0.7
125.02441	0.9
127.03975	0.6
133.02937	2.0
134.03751	18.1
135.00879	1.1
135.04594	4.6
136.01671	1.8
137.02461	3.6
151.00372	10.0
151.03992	3.1
155.03526	1.5
163.00386	2.8
173.04568	15.2
177.01884	1.0
178.02716	3.4
178.99878	4.0
191.05624	33.6
192.05920	0.8
195.03000	1.1
227.03438	2.1
231.10223	3.9
243.03084	3.9
244.03275	0.8
245.04610	1.0
254.02368	0.9
255.02945	14.4
256.03369	1.6
271.02493	25.0
272.02985	1.8
273.03967	1.4
275.09286	1.9
283.02673	1.0
293.10336	15.0
294.10629	0.9
300.02759	48.7
301.03506	41.4
302.03842	2.5
437.14743	4.1
447.09332	100.0
448.09665	10.6
449.14600	3.7
467.15591	31.0
468.16229	4.9
481.14938	0.7
902.80530	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.426
Annotation	Unknow
Peak:m/z	Relative Intensity
66.63879	0.3
69.05774	3.6
83.01380	0.4
85.02970	0.4
90.81100	0.3
93.03437	0.3
100.04979	0.3
107.01411	1.0
108.02158	0.3
109.02954	0.4
115.60756	0.3
121.07122	0.3
135.00795	0.4
151.00369	3.8
161.02542	0.4
163.00340	1.7
178.99844	2.1
187.07661	0.7
188.07959	0.3
190.02814	0.6
191.05612	2.1
192.06000	0.5
199.04099	0.5
199.45526	0.4
201.05670	0.4
202.06288	0.4
207.88916	0.3
211.03935	0.4
213.09250	0.6
216.04323	0.8
226.02740	3.8
227.03481	1.9
231.10313	0.9
243.02983	8.2
244.03394	1.1
254.02219	3.8
255.02966	3.8
256.03391	0.6
271.02493	40.0
272.02997	4.0
275.09302	1.1
276.09692	0.9
277.36136	0.3
285.04248	0.4
300.02774	50.8
301.03409	13.1
302.03943	0.7
343.04727	0.9
355.03815	0.3
377.95856	0.3
449.14609	0.7
450.14804	0.6
451.15292	0.9
463.08862	100.0
464.02631	0.7
464.09192	11.3
559.76398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
66.89580	0.5
68.99567	1.2
69.03448	2.1
71.01386	16.3
72.99320	1.8
73.02950	2.5
80.02700	1.0
81.03455	2.0
83.01386	2.2
83.05042	5.5
84.02160	1.2
85.02968	4.4
87.00875	3.0
89.02451	16.2
95.01388	1.2
95.05063	1.4
96.96009	1.3
97.02965	3.4
97.06637	0.7
98.22569	1.0
99.00882	1.2
99.04549	0.5
101.02454	12.5
101.03123	0.9
109.06621	0.8
111.00865	0.6
111.08167	7.0
112.98571	1.2
113.02465	6.9
119.03510	3.6
125.02457	6.3
127.07690	0.7
130.99257	0.5
131.03537	0.6
133.77997	0.6
135.08180	1.2
143.03525	2.4
144.49648	0.5
153.12906	0.9
161.04652	2.9
163.11296	5.8
165.12866	2.8
167.03427	0.7
169.12358	2.5
171.10295	2.1
179.05649	3.6
181.12363	2.4
183.13951	1.1
191.10820	1.5
197.11841	36.0
198.12173	2.1
199.13441	1.8
209.11841	100.0
210.12216	5.9
211.13394	6.1
221.06705	1.6
225.11366	1.4
225.15030	0.7
227.12885	12.5
228.13165	0.7
235.08249	4.4
253.09315	1.4
263.07709	0.8
263.20248	2.5
265.17996	1.3
273.18500	0.8
287.07730	1.6
288.84607	0.6
291.19662	13.4
292.20096	0.8
293.21219	3.0
305.08786	1.8
309.20728	68.7
310.21066	6.0
379.12405	2.4
397.13504	35.3
398.13837	1.9
415.14606	14.3
416.14783	0.8
591.32843	0.6
607.26251	1.3
707.35065	0.7
874.54779	0.6
893.59338	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4768
Annotation	Unknow
Peak:m/z	Relative Intensity
67.83573	1.6
68.99561	4.4
69.03455	2.5
70.95730	2.7
70.96064	2.8
71.01390	33.1
73.02936	4.6
75.69028	1.6
81.03447	1.5
83.01376	2.5
83.05007	1.7
85.02959	7.1
87.00872	4.9
89.02459	13.7
95.01440	2.6
95.05042	3.2
97.02973	5.2
99.00897	3.1
99.04498	2.2
101.02444	17.6
103.92095	2.4
109.06583	5.8
111.08142	2.3
112.98570	4.6
113.02476	10.8
116.92905	2.2
119.03521	5.3
119.43166	1.7
121.60078	1.7
122.89441	4.7
125.02441	9.6
125.09697	2.2
129.77550	1.6
143.03555	4.2
148.90974	6.6
161.04601	4.5
163.11298	6.9
167.10925	1.7
171.10275	29.9
179.05614	4.2
181.12329	2.9
189.09314	2.5
189.73544	1.8
195.13945	8.8
201.11343	27.4
207.10297	11.3
209.11812	13.9
215.12851	2.1
221.06500	2.0
223.13390	5.6
225.11331	35.1
227.12823	2.8
235.08299	6.3
243.12318	3.3
250.94156	14.5
253.09291	4.4
275.20203	7.7
291.19702	10.8
293.21259	100.0
294.21506	8.5
309.20700	2.6
354.79318	1.7
379.12747	2.5
397.13583	31.9
398.14130	1.7
415.14664	12.7
464.16507	1.8
485.33121	3.9
623.25586	3.5
737.27142	2.1
881.30396	3.2
899.45923	6.5
900.46698	1.9
917.45923	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	34.4
71.31796	2.6
71.32207	4.4
72.99329	3.0
73.02946	6.7
83.01402	3.1
83.05032	4.9
84.19435	2.6
85.02972	9.4
87.00866	6.7
89.02438	23.6
96.96013	4.4
97.02952	7.3
101.02457	15.4
109.06618	5.9
113.02485	14.3
113.06191	3.1
119.03532	10.5
125.02462	11.7
127.11327	4.7
135.54901	3.1
141.02054	3.1
143.03519	4.2
161.04573	8.4
163.11334	8.0
165.09148	3.2
171.10265	49.5
179.05708	4.8
181.12459	4.4
195.13820	7.0
197.11691	3.6
201.11324	39.1
207.10246	16.4
209.11827	27.1
215.12813	4.1
221.06775	5.0
225.11348	55.4
227.12799	5.0
235.08191	7.4
243.12376	5.4
244.84927	3.0
275.20099	10.7
291.19717	11.4
293.21237	100.0
294.21658	8.4
308.24945	2.8
397.13528	37.2
415.14606	17.7
487.70953	3.0
605.24457	6.2
623.25775	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.447
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68220	8.6
71.01387	28.3
71.30864	9.8
74.62819	7.5
82.95415	12.3
85.02951	11.3
88.98831	13.7
89.02452	14.1
96.96049	8.7
101.02456	12.3
109.06580	17.4
152.99669	16.0
163.11211	10.8
201.11296	18.8
207.10297	70.3
209.11862	17.5
225.11397	32.8
231.78894	8.6
232.21899	8.2
235.08342	9.9
255.23381	22.7
277.21829	59.4
278.22021	10.1
290.20255	8.4
353.20728	7.9
377.25757	7.8
397.13623	100.0
398.13647	9.6
413.95691	7.9
415.14752	30.5
418.21393	9.2
497.02325	7.7
537.72137	8.6
579.42664	9.4
883.47015	64.6
884.47394	22.4
919.45026	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00316	0.8
69.19295	5.2
83.01381	1.0
97.27478	0.6
107.01378	1.9
109.02989	1.6
121.02940	1.9
148.01588	0.9
151.00380	10.8
156.45241	0.6
163.00377	2.2
169.01413	0.7
178.99893	5.5
183.04579	0.7
208.37209	0.7
211.03986	1.3
226.02727	1.1
227.03462	2.6
243.03027	7.6
244.03311	0.9
245.04562	2.5
254.02271	1.5
255.03000	16.2
256.03439	1.4
270.01602	0.7
271.02481	31.9
272.02838	3.2
273.04111	0.8
283.02451	1.3
285.04065	0.9
299.01984	1.7
300.02771	61.5
301.03500	44.7
302.03845	3.7
314.04318	4.1
315.05106	1.2
410.37555	0.7
425.46255	0.8
447.09320	100.0
448.09616	12.3
477.10461	6.5
541.53107	0.8
612.44177	0.7
794.59039	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
71.35861	0.8
71.57662	0.6
83.01379	6.0
93.03455	2.2
97.02970	0.9
101.57690	0.7
109.02951	8.2
121.13272	0.6
122.03773	0.9
123.04537	2.5
125.02447	2.4
137.02455	100.0
138.02795	3.2
139.03990	1.0
149.02499	1.2
150.03215	1.5
151.04024	3.6
159.04498	0.7
161.02473	3.5
163.04034	0.7
164.01221	0.7
165.01915	1.6
167.03442	1.1
176.04794	0.8
185.02545	1.0
187.03979	0.8
191.02025	1.2
225.05354	1.9
227.03253	1.8
243.06392	2.9
251.03078	0.6
257.04361	0.9
269.04544	0.8
289.07236	2.5
293.04337	2.8
311.05402	88.7
312.05762	8.6
329.05167	0.8
335.05386	1.2
472.15997	0.7
473.10638	24.9
474.10831	2.7
611.13708	1.0
627.19409	0.6
746.49573	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
69.01722	10.5
69.74339	1.4
71.84181	1.2
75.71694	1.3
75.99514	1.2
81.62732	1.4
89.03969	1.9
93.03481	3.5
98.21717	2.4
101.43887	1.6
105.03494	1.5
108.02173	1.5
117.03473	4.3
118.68399	1.3
119.05064	2.1
121.02980	7.3
122.03764	9.4
123.04568	1.6
132.02196	11.0
133.02982	11.0
134.03751	100.0
135.04556	16.3
136.01678	9.9
137.02461	12.2
139.04047	3.0
143.14439	1.2
145.02960	2.1
147.04572	4.6
148.05325	3.9
149.02475	16.8
149.06102	20.5
150.02017	2.8
150.03239	57.7
151.04025	6.9
153.13232	1.2
154.75864	1.2
159.04478	1.5
160.01671	34.3
161.02443	6.4
162.03233	4.6
163.03981	1.9
164.04868	2.0
165.05583	47.4
175.04010	38.3
176.04529	2.2
177.05537	1.4
178.02742	31.0
179.03493	12.5
180.04265	3.1
181.04924	1.5
192.04248	3.3
193.05072	70.1
194.05443	4.1
195.06642	13.7
215.34097	1.4
273.10565	1.4
282.08881	2.3
327.12375	4.9
336.28372	1.4
341.10443	3.6
342.11093	8.7
343.11844	4.6
353.10413	3.1
356.12772	3.0
357.13498	13.9
371.11319	2.3
372.75391	1.6
389.12686	2.1
397.12897	2.4
411.14459	2.5
503.17218	5.5
505.18307	3.2
517.18530	4.7
535.19934	2.7
553.20642	5.6
566.33960	1.4
604.54779	1.6
711.24792	2.3
729.25574	71.9
730.25696	12.6
783.26611	3.6
877.30646	6.5
878.30078	2.3
925.32568	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31284	100.0
82.84985	80.4
103.01511	96.1
112.09201	72.9
123.53093	78.5
530.52673	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31405	2.6
71.31774	1.7
78.18172	1.5
111.24150	1.6
151.00374	3.4
155.10803	6.2
172.89862	1.6
178.99867	4.3
199.09738	6.6
226.02895	1.6
227.03429	2.2
243.02945	9.5
255.03055	18.7
271.02505	42.6
272.02850	2.8
300.02771	100.0
301.03238	11.5
565.11981	98.8
565.25104	2.3
566.12396	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
65.51924	6.3
67.74193	7.4
68.68137	6.4
69.59100	26.3
71.01388	16.9
71.66508	5.6
82.62688	5.4
83.08224	6.5
84.61031	6.6
88.98823	15.3
89.02443	17.2
101.02426	9.2
113.02443	7.5
125.02464	12.8
152.25061	6.3
173.60645	6.1
209.11839	100.0
227.12976	7.9
277.21869	29.1
397.13403	33.1
415.14554	10.6
429.29922	8.2
441.35489	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
65.56854	5.8
71.01390	22.7
71.30415	8.6
74.89460	6.5
89.02460	7.8
101.02455	15.2
105.02960	7.3
113.02477	10.1
125.02428	9.4
131.49858	6.1
148.82805	6.3
195.09740	7.9
209.11836	100.0
210.12215	10.6
213.61090	7.2
277.21774	62.0
298.63495	7.5
379.12369	9.7
397.13486	58.3
415.14566	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05027	3.6
71.31586	1.2
93.03461	0.9
95.05026	7.4
97.02955	12.9
100.70403	0.7
107.01399	1.0
108.02179	1.9
109.02963	10.8
115.04024	1.1
120.82498	0.8
121.02957	1.0
125.02468	1.4
137.02440	1.0
139.04025	30.6
140.04318	1.3
148.01639	1.1
151.00375	3.4
153.01950	22.6
154.02216	0.8
163.00436	1.0
164.01186	1.1
165.01955	10.5
178.99844	2.5
183.02998	50.0
184.03331	1.3
226.02707	1.0
227.03473	2.7
243.02992	9.3
243.76212	0.7
244.03786	0.9
254.02235	2.2
255.02995	23.7
256.03387	1.7
271.02505	47.9
272.02957	3.7
299.02002	1.3
300.02765	95.7
301.03302	11.3
315.77847	0.7
319.04614	10.1
320.05234	1.0
342.72647	0.8
587.06873	0.8
609.14612	100.0
610.14929	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
70.23257	4.0
83.23433	4.0
85.02962	8.9
87.16683	3.7
89.03971	4.5
93.03474	17.4
96.96404	4.3
105.03473	6.2
109.02975	18.5
119.05024	13.8
123.04542	14.4
125.02418	21.9
129.03575	3.5
133.02960	51.8
135.04530	4.9
137.02460	16.2
147.04517	9.2
149.02438	6.9
150.03178	4.4
151.04062	8.3
155.05016	5.0
157.03021	5.6
158.03722	12.7
159.04518	6.4
161.02460	23.4
163.03981	25.4
171.04622	5.9
172.05269	6.3
173.04552	26.8
173.06094	40.1
174.03188	7.9
175.04007	100.0
176.04573	5.4
177.01933	24.1
189.05583	11.5
191.05620	50.6
191.07143	6.0
199.03976	22.7
201.01900	6.1
203.03656	4.5
203.07224	5.0
211.54457	4.3
213.05640	5.6
215.03651	4.3
215.07185	13.1
217.04987	5.5
219.03049	14.8
227.03622	6.3
241.05006	19.5
243.03014	37.9
245.04608	9.3
245.08246	5.1
247.05954	4.8
253.05121	5.4
255.06601	4.3
259.06094	53.4
281.04559	5.7
285.04089	17.8
289.07275	28.0
299.05679	5.8
303.05200	16.8
337.09180	8.7
351.07339	4.4
389.06650	4.9
407.07724	8.3
421.09262	12.0
425.08652	4.4
439.06790	7.0
451.10751	5.9
459.09439	4.9
477.10397	93.7
478.10556	7.5
541.11578	7.1
577.13843	6.3
591.11823	5.2
597.11908	7.5
639.13629	37.1
640.14063	5.1
670.31769	4.2
759.15747	13.1
777.16498	9.1
929.20618	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39429	20.0
72.38487	2.4
83.01382	8.4
83.05022	2.9
85.02946	7.9
87.00903	3.3
92.57626	2.9
93.03468	11.8
109.02956	21.1
111.04530	6.5
121.02988	7.0
123.04517	11.6
125.02470	23.3
133.02997	9.5
134.03778	14.7
135.04486	6.3
137.02443	17.5
139.04031	3.8
145.02972	6.6
146.03786	4.1
147.04533	12.8
149.02431	6.6
151.04007	9.4
155.03465	4.5
155.05045	4.1
157.02969	4.0
158.02510	3.1
158.03644	13.7
159.04526	3.7
161.02466	27.1
161.06052	4.4
162.03169	3.5
163.00369	11.1
163.04034	4.6
164.01181	5.2
171.04549	4.2
172.05258	8.5
173.02422	7.0
173.04581	6.9
173.06073	33.7
174.03220	9.7
175.04016	100.0
176.01100	8.2
176.04326	4.0
177.01927	12.6
179.03468	4.7
183.04449	2.9
184.05064	2.8
185.06079	3.5
187.04021	7.9
189.01935	3.9
189.05585	8.5
191.05605	46.9
191.07182	12.3
192.05971	2.8
193.05103	16.9
197.06113	4.4
199.03975	24.4
201.01895	4.2
201.05534	3.6
203.03387	6.3
203.05302	2.7
203.07220	7.7
205.04994	5.1
213.05557	3.1
215.03593	4.2
215.07088	14.1
217.05060	13.3
219.03029	16.0
227.03445	3.7
231.02884	3.2
241.05104	11.3
242.05585	3.6
243.02998	28.1
245.04596	9.5
245.08119	7.5
253.05029	4.8
257.04636	4.6
259.06119	29.2
260.06284	3.5
267.06561	3.2
269.04605	4.7
271.06119	4.8
281.04666	5.2
283.02411	3.3
284.03214	4.2
285.04056	44.2
289.07202	29.9
290.07367	3.3
297.04361	3.4
299.05557	6.1
303.04971	13.2
341.06662	4.1
367.10324	5.2
389.06689	4.0
393.08502	3.3
407.07602	7.6
415.04602	6.3
421.09351	11.3
423.10880	9.8
447.07318	15.6
448.07794	3.2
449.08536	4.9
451.10681	5.7
459.09412	3.6
465.08032	3.0
477.10370	90.5
478.10928	12.6
489.10400	4.9
502.45767	2.6
541.11682	14.1
559.12732	3.3
567.09100	8.2
567.91248	3.4
585.10437	15.5
597.12531	3.9
639.13434	24.8
640.13434	6.1
641.15411	21.7
711.16772	6.4
737.14960	12.4
738.15344	3.6
759.15558	16.5
760.15485	3.2
777.16443	4.3
929.20557	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.6641
Annotation	Unknow
Peak:m/z	Relative Intensity
66.20128	2.5
85.75061	2.4
98.21711	5.0
121.57393	2.2
172.89465	2.2
249.56252	2.2
432.22272	2.2
453.33749	100.0
454.34164	11.8
464.26163	2.3
929.66528	72.0
930.66656	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28062	7.9
69.28483	4.0
83.01402	5.3
85.02940	2.9
85.08340	1.6
88.79415	1.6
93.03448	3.4
96.48295	1.5
97.02954	2.8
109.02956	22.7
117.03503	1.5
121.02991	3.5
123.04489	10.8
125.02458	100.0
126.02815	3.2
133.02953	6.5
135.04572	3.4
137.02460	21.9
139.04031	2.7
149.02452	6.5
150.03110	2.3
151.04018	14.9
159.04533	1.9
161.02464	30.6
161.06192	2.1
162.02948	3.5
163.00400	2.5
163.04013	3.3
164.01134	4.5
165.01917	6.7
167.03467	2.0
175.04005	8.2
177.01936	7.0
177.05547	2.5
178.02477	1.5
179.03539	6.3
187.03972	6.8
188.04767	4.1
191.05618	46.6
192.05951	2.8
203.07188	9.2
205.01474	3.1
205.05070	8.7
213.05667	2.5
217.05045	2.3
228.04213	2.4
229.05066	4.1
243.02898	2.9
245.04538	7.0
245.08209	14.5
255.03009	10.7
256.03751	5.3
257.04431	3.0
269.04547	2.2
273.03952	4.2
281.04572	4.2
283.02365	2.3
285.04102	3.3
287.05640	13.1
288.06064	2.1
289.07193	64.4
290.07535	4.9
299.05521	8.4
339.08746	5.4
353.08685	3.9
381.09860	2.4
407.07742	67.7
408.08154	8.0
425.08832	61.2
426.09143	6.8
450.08365	1.6
451.10294	22.5
559.12433	2.4
570.98389	1.7
577.13556	43.7
578.13782	9.4
728.15393	1.6
748.03857	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00314	1.4
71.01377	2.9
71.30716	1.1
83.01366	0.7
85.02946	0.8
88.12700	0.7
89.02471	1.5
91.01909	0.7
92.92162	0.6
93.03466	2.8
99.04515	4.9
101.02462	3.5
107.01375	3.2
108.02222	0.8
109.02979	3.2
111.04519	0.8
121.02949	2.5
125.02438	4.5
134.03769	5.2
135.04536	1.3
136.01648	1.1
145.07721	0.8
148.01735	1.4
151.00371	8.1
160.06389	3.2
161.04538	3.3
161.07211	10.8
162.03360	0.8
163.00381	2.2
164.01088	0.8
173.04584	2.3
175.08778	8.8
178.99849	4.2
185.10793	0.7
187.08710	1.5
189.01901	0.8
189.06702	24.2
190.07056	1.5
191.05638	10.6
201.10344	1.5
203.08284	10.3
203.11887	2.9
211.03955	0.8
226.02655	1.0
227.03520	2.3
229.05072	1.2
229.09789	4.8
231.10239	2.1
243.03015	7.5
244.03308	0.6
245.04439	0.8
254.02196	2.5
255.00449	1.3
255.03004	17.9
256.03375	1.1
271.02496	41.7
272.02945	4.8
273.03796	0.8
275.09283	1.1
277.12082	1.1
293.10303	5.6
299.01913	1.2
300.02768	71.7
301.03467	35.5
302.03839	2.4
305.11435	18.3
306.11835	1.1
319.69952	0.8
323.12494	57.6
324.12802	5.1
365.13516	10.3
366.14096	0.9
388.09521	0.8
405.16824	1.5
449.14563	1.9
463.08868	100.0
464.09302	10.9
465.09424	1.7
466.09686	0.9
467.16473	23.1
468.16946	3.1
475.51498	0.7
549.69318	0.8
745.50006	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
67.23212	4.0
68.45472	3.3
69.03452	7.0
69.22359	11.3
69.22779	15.6
71.01386	100.0
72.99311	6.7
73.02970	15.5
75.04172	3.2
77.37382	2.8
81.03444	5.0
83.01389	7.1
83.04993	8.6
85.02937	17.6
87.00873	13.7
89.02450	41.4
95.00761	3.2
95.01398	4.4
95.05025	9.7
95.77266	3.3
96.95998	12.3
97.02959	22.1
97.03495	3.9
101.02449	34.9
106.83984	3.3
109.02943	5.2
109.06586	12.6
111.00931	3.1
111.08146	4.4
113.02457	24.3
119.03501	10.6
125.02461	13.3
125.09679	7.5
127.11291	6.9
128.31479	3.1
137.09700	4.1
141.01982	3.2
143.03491	9.2
153.09239	4.9
161.04518	10.1
163.11324	19.7
165.12775	8.4
171.10294	91.4
173.84055	3.3
179.05615	9.6
179.10918	3.7
181.12289	6.8
185.11780	5.5
189.09184	3.5
190.43231	3.2
197.11853	20.2
201.11340	62.3
202.11713	4.3
207.10329	36.7
209.11826	58.3
211.13307	5.9
215.12883	7.9
221.06670	3.8
225.11327	92.7
226.11792	5.1
227.12776	9.8
235.08160	16.6
243.12282	8.8
245.19130	5.1
247.20630	4.0
253.09270	7.0
273.18643	3.3
289.18158	7.4
291.19678	49.7
305.08517	3.8
306.68246	3.8
307.19107	6.5
309.20703	87.8
309.24100	6.7
310.21060	8.0
314.86792	3.6
397.13513	64.1
398.13693	4.5
415.14694	22.7
527.08307	3.3
605.24640	4.6
623.25330	14.1
634.73694	3.5
887.05841	4.1
915.45947	10.7
933.46185	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
65.63097	1.0
69.03439	1.8
71.01384	17.9
71.32083	1.7
72.74359	1.0
72.99295	1.6
73.02937	1.6
80.02676	1.2
80.43507	1.0
81.03431	2.7
83.01405	1.7
83.05035	8.2
85.02927	2.5
87.00874	3.2
89.02451	11.4
95.01392	1.6
95.05039	1.6
96.96026	1.4
97.02980	3.8
97.06582	1.7
99.04534	1.7
101.02451	11.3
109.06615	1.8
113.02446	7.3
115.07590	1.1
116.99268	1.1
119.03500	4.4
123.04564	1.3
125.02451	5.2
125.09717	4.1
127.11358	1.5
134.76022	1.0
135.08101	2.7
143.03513	1.5
153.09200	7.3
161.04547	3.1
163.11290	5.8
165.12862	3.4
171.10294	17.7
178.10027	1.3
179.05618	4.2
185.11850	3.4
191.10794	2.3
197.11804	6.6
209.11842	100.0
210.12134	5.5
211.13405	3.2
227.12933	13.0
235.08188	2.1
245.19081	1.3
289.17953	5.7
297.20645	1.2
307.19165	40.1
308.19501	2.9
325.20224	31.0
326.20474	2.4
327.21933	1.8
379.12421	3.0
397.08749	2.2
397.13550	26.8
397.24164	1.2
398.13818	1.6
415.14609	7.4
687.32465	3.3
705.33337	6.9
706.33789	1.5
723.34814	1.9
807.56537	1.3
897.44385	3.2
898.44574	1.6
915.45105	3.8
933.46759	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
67.65410	0.5
71.31976	1.0
71.32330	0.8
76.92426	0.6
82.80437	0.5
89.02447	0.7
93.74599	0.5
101.02436	1.1
107.01378	1.5
113.02461	1.0
125.02415	1.7
132.02182	0.7
135.00957	0.5
135.11787	2.3
137.02425	2.2
145.46707	0.5
146.03716	0.5
151.00363	2.1
159.11819	1.0
161.04607	0.8
161.09700	1.3
163.00392	0.6
165.01819	1.1
167.03456	0.6
169.77733	0.5
175.07710	0.8
178.99898	0.9
179.10797	9.6
180.08318	0.5
183.04514	0.9
187.04054	0.6
203.10756	1.2
211.03856	1.2
213.01917	0.5
221.11844	0.5
221.88736	0.5
223.09773	14.8
224.10043	0.9
227.03514	28.8
228.03874	1.8
229.05070	1.3
239.03491	0.8
241.05002	0.7
255.03006	53.4
256.03537	5.0
257.04434	1.1
283.02649	0.6
284.03278	73.5
285.03906	15.2
286.04401	0.7
357.33771	0.6
367.11752	2.4
385.15195	6.3
386.15424	1.0
451.62201	0.6
549.12531	100.0
550.12823	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	11.4
71.31039	5.0
75.21053	3.7
83.05022	5.6
89.02464	10.4
96.96034	5.7
101.02469	6.9
113.02449	4.3
125.02402	6.0
161.04602	4.7
185.75824	4.1
209.11844	78.4
227.12987	19.2
293.21271	100.0
294.21564	9.6
339.11447	4.2
379.12479	4.3
397.13510	55.0
398.89926	4.9
415.14633	9.2
430.06509	4.6
546.36987	4.2
607.26019	9.1
937.45715	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02118	3.0
69.02541	5.7
70.09883	0.7
71.01387	5.8
73.02962	1.2
81.03471	1.2
83.01392	2.8
85.02959	2.9
89.02465	1.5
92.25930	0.7
93.03416	0.9
96.96033	3.8
97.02939	0.9
98.21671	1.2
99.03925	1.4
99.04534	13.3
101.02447	9.2
109.02981	2.6
113.02454	2.3
118.35445	0.7
123.04549	2.6
125.02464	29.3
126.02792	1.5
137.02478	2.5
143.03500	1.0
151.04018	2.9
155.03658	0.7
161.02477	2.6
161.04594	2.6
165.01968	1.4
177.01938	1.5
203.05630	1.7
227.47079	0.8
245.08371	1.0
287.05652	1.6
289.07242	5.1
305.05298	1.0
305.08789	18.8
306.09091	1.0
407.07690	1.4
407.33267	1.4
425.34268	56.4
426.34711	8.9
451.32159	11.0
469.33261	100.0
470.33688	13.8
483.34897	3.8
511.34189	4.6
549.85638	0.9
571.36462	0.9
631.38568	48.9
632.38757	7.9
673.39471	8.4
674.39764	1.0
704.93567	0.9
713.42346	2.1
775.42889	14.6
776.42755	3.1
827.78326	0.9
847.44672	1.0
937.48102	14.8
938.49622	3.9
945.74762	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
68.55566	4.7
69.60587	28.0
77.85229	4.7
104.95061	5.5
109.02972	14.7
125.02454	12.7
137.02432	36.7
165.01959	11.9
168.53874	6.6
175.03935	6.3
179.03464	6.1
192.18735	6.3
203.07118	8.0
205.05179	8.9
245.08243	20.9
289.07211	91.3
290.07608	7.6
408.91605	5.7
422.01575	6.3
451.12488	100.0
452.12909	11.2
511.67926	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.6427
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05039	1.3
98.21774	3.3
110.22442	1.0
125.02454	1.7
179.95793	1.1
225.16138	1.6
407.96765	0.9
411.59723	1.1
865.88818	1.2
903.66382	4.9
904.67627	1.4
912.92822	1.2
939.64301	100.0
940.64453	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01872	2.2
68.99793	1.8
69.02405	2.8
69.02822	9.5
69.03448	4.8
71.01392	4.8
77.03976	2.6
80.08722	1.0
81.03461	9.4
83.01394	20.4
83.05029	4.3
84.02166	1.4
85.02969	1.9
87.00909	1.5
89.02465	2.8
89.22118	1.0
92.27099	1.1
93.03454	6.1
95.01411	4.0
95.05051	6.1
97.02958	6.9
99.04526	4.1
99.22913	0.9
101.02457	3.2
105.89303	1.0
107.05036	2.5
108.02194	1.3
108.24150	1.2
109.02963	11.0
113.02416	1.0
113.16960	1.2
119.48823	1.2
120.02232	1.3
121.02948	8.4
122.03745	3.2
123.00922	1.2
123.04539	3.3
124.01665	3.7
125.02460	100.0
126.02789	2.0
130.04262	1.5
131.05092	1.0
133.02979	3.0
135.04506	6.2
137.02458	89.3
138.02780	1.7
139.04062	3.7
143.04987	1.2
146.03766	30.4
147.04500	3.8
148.07550	1.2
149.02408	3.3
150.03255	1.7
151.04027	6.4
158.03764	2.8
159.04535	11.8
160.05275	4.3
161.02469	4.6
161.04715	1.2
161.06102	4.9
162.03143	1.8
163.00400	1.9
163.11278	3.5
164.01163	22.1
165.01942	57.3
165.12920	1.9
166.02356	3.3
167.03513	28.7
172.05310	10.1
173.06094	6.8
174.03227	17.9
174.06889	3.6
175.03967	4.8
176.04813	2.3
177.01955	9.5
179.03499	16.2
183.04483	1.6
185.06143	4.8
186.06912	3.3
187.04030	9.0
187.07594	1.7
188.04811	11.5
189.05637	2.2
190.02708	1.9
191.03517	2.3
191.10855	1.3
197.06099	1.5
199.03995	1.4
199.07614	2.0
200.04781	8.0
200.08498	1.6
201.05475	5.9
201.09372	1.4
202.06270	2.2
204.04343	7.4
209.06108	2.9
209.09880	2.0
209.11852	36.8
209.13773	2.3
210.06926	3.2
210.12199	2.2
211.04025	3.1
211.07646	1.6
211.13461	1.5
212.04858	8.1
213.05615	2.5
215.07172	1.0
223.07748	2.4
224.04816	1.9
224.08473	1.4
225.05540	4.8
225.12927	1.5
226.06381	2.8
227.07098	2.2
227.12814	1.9
237.05615	2.2
239.07191	1.7
241.12157	1.2
243.13887	2.7
244.07501	1.8
251.07164	3.8
252.08015	3.3
253.09216	1.3
255.13922	3.5
268.07523	4.0
269.08237	1.7
269.11884	6.9
269.15009	1.6
270.09067	3.5
270.12469	1.5
271.13419	37.1
272.13776	3.4
276.07840	1.5
281.12003	1.2
283.13501	5.0
285.14987	4.6
287.05673	1.5
287.12848	1.9
288.06360	2.4
289.14526	8.7
294.09027	5.3
295.13492	3.6
297.15057	4.9
299.12906	10.2
300.13318	2.0
301.14502	3.3
309.14972	2.7
313.14441	23.9
315.16162	4.9
317.14032	3.5
320.06717	2.2
325.14459	18.3
326.14932	1.6
331.15665	4.3
335.16644	5.0
337.14441	10.6
343.15576	7.9
349.18524	1.5
351.15945	2.1
355.15604	2.8
377.17648	6.1
379.15518	3.7
391.19293	1.8
393.17148	1.7
395.18820	4.9
401.17773	1.8
413.19769	2.3
419.18631	22.2
420.19156	4.3
437.19705	11.9
445.16492	3.0
463.17670	10.8
481.18884	2.7
531.28516	1.2
553.23120	1.5
567.25153	5.7
579.24219	2.2
591.24768	2.7
597.25201	1.5
673.28802	7.1
674.28754	1.4
699.26733	1.9
717.27722	6.9
759.36206	1.6
777.37042	12.1
778.37030	3.1
789.37097	12.4
790.37201	2.4
801.37024	8.0
802.37384	2.1
807.37970	9.1
808.38385	1.4
843.37909	2.4
855.40118	1.5
859.40741	2.1
865.39844	2.5
883.41241	13.4
884.41626	3.9
901.40234	2.2
909.39581	6.5
927.40228	63.0
928.40649	20.0
945.41235	41.2
946.41412	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	4.1
71.01386	6.0
81.03472	10.7
83.01389	21.2
83.05032	5.5
85.02955	2.2
89.02428	3.0
89.03923	1.8
93.03484	7.2
95.01398	3.7
95.05045	5.5
97.02962	9.9
99.04517	4.8
101.02445	3.1
107.05084	1.9
109.02957	10.7
121.02950	8.5
122.03739	4.6
123.04550	3.4
124.01662	3.0
125.02458	100.0
126.02834	1.6
133.02962	1.8
135.04547	4.8
137.02454	87.7
138.02740	2.2
139.04013	3.4
146.03757	29.6
147.04506	3.3
149.02490	4.5
149.06140	2.4
150.03218	2.3
151.04007	6.3
159.04509	13.8
160.05339	6.5
161.02438	5.5
161.06079	4.6
163.00322	1.8
163.11288	4.3
164.01173	22.9
165.01952	50.8
166.02242	1.7
167.03514	33.0
172.05330	6.0
173.06073	6.6
174.03262	16.2
174.06874	6.4
175.04016	5.5
176.04771	3.2
177.01965	10.8
179.03514	17.2
180.03943	1.5
185.06079	3.6
186.06903	3.9
187.04036	7.4
188.04791	10.9
189.05571	2.6
196.05281	1.8
197.06123	2.2
200.04878	6.8
201.05598	5.5
203.03589	2.0
204.04269	6.0
209.06273	1.9
209.11850	30.7
211.04097	3.4
211.07614	1.5
211.13420	3.1
212.04832	8.0
224.04791	1.9
225.05600	6.9
226.06346	5.3
227.07182	1.7
229.63550	1.6
237.05507	2.3
238.06454	1.6
239.07178	1.7
241.12524	1.6
243.13853	2.6
244.07274	1.7
251.07188	4.5
252.07867	6.2
253.09129	2.0
255.13821	2.6
268.07477	2.3
269.11887	5.4
269.15500	1.6
270.08981	3.1
271.13403	37.4
272.13629	2.5
283.13342	4.3
285.14963	3.6
287.12900	3.1
289.14487	11.5
294.08981	6.3
295.13489	4.8
297.15100	3.4
299.12891	9.0
301.14603	2.9
309.14813	2.7
312.09854	1.7
313.14481	28.9
315.15985	3.6
317.14008	2.9
325.14383	14.4
331.15485	5.2
335.16422	5.2
337.14523	11.2
343.15567	8.0
349.17801	1.7
351.16104	2.1
353.17581	2.5
355.15610	3.1
359.16422	2.0
377.17630	5.6
379.15244	2.6
391.19205	1.9
393.16916	3.5
395.18765	4.4
401.17596	2.2
419.18643	27.5
420.19101	2.9
437.19843	15.3
438.19864	2.3
463.17926	8.4
481.19031	4.6
562.87372	1.9
567.24506	9.7
579.24854	2.0
591.24323	3.6
597.25702	1.9
673.28674	10.6
674.29553	2.4
691.29517	2.0
699.26526	2.4
717.27649	9.7
759.36053	2.4
763.35010	2.0
771.35254	1.7
777.37140	14.0
778.37622	2.6
789.37183	11.7
790.37238	3.2
801.36194	9.2
807.37848	9.3
808.38654	1.8
865.40149	2.6
883.40674	10.7
884.41370	4.4
901.39441	2.6
909.38403	4.9
927.40234	57.7
928.40167	17.0
945.22845	2.6
945.41364	37.4
946.40387	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.489
Annotation	Unknow
Peak:m/z	Relative Intensity
68.09261	0.2
69.05412	0.8
69.05823	2.1
69.51365	0.2
79.95730	1.6
83.01373	0.6
96.96021	54.8
97.02968	0.3
98.21746	0.6
109.02911	0.3
123.04495	0.3
125.02461	3.4
137.02444	1.7
151.04008	0.7
161.02492	0.7
164.01167	0.8
165.01962	1.2
167.03461	0.5
175.03975	0.4
177.01909	0.6
179.03563	0.4
191.05475	0.4
209.11818	0.9
213.05626	0.3
217.05099	0.4
227.12813	0.3
271.13547	0.5
289.07306	0.8
325.14349	0.4
376.21780	0.3
413.20068	100.0
414.20398	10.5
415.19995	0.4
927.39905	1.3
945.40167	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.6718
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12857	1.9
69.13282	2.5
81.03461	5.1
83.05033	14.2
83.05513	1.3
93.03444	0.7
121.02946	0.9
122.03775	1.2
125.02483	0.8
125.07254	0.9
136.01720	1.0
145.30583	0.5
149.02472	3.4
150.03238	7.3
151.04059	1.0
164.04802	1.4
165.05586	7.0
195.06648	3.4
207.15103	1.2
224.17764	2.1
225.16075	8.9
240.04521	0.6
298.08298	0.8
313.11038	0.7
318.66135	0.6
329.14029	0.9
337.49802	0.7
341.29364	1.1
343.11768	1.0
450.34302	0.9
451.32907	7.3
452.34427	0.6
457.97415	0.8
537.21008	0.8
555.22516	1.1
564.46619	0.7
677.50208	1.1
876.53894	0.7
903.66595	100.0
904.48798	1.5
904.66864	31.2
946.68182	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.481
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31844	100.0
75.37632	63.0
167.43137	64.2
292.92859	70.5
296.27170	64.3
744.85486	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92150	58.6
71.32317	100.0
86.23202	62.8
95.58868	59.1
134.71362	58.0
162.40628	65.9
219.36684	69.4
264.75571	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
84.03104	0.7
85.02946	1.5
89.02457	4.2
95.01370	0.8
97.42899	0.6
98.21760	1.2
101.02448	2.2
107.01375	0.9
109.02958	0.6
113.02457	3.0
119.03533	1.5
133.10223	1.0
135.00902	0.8
135.11827	6.0
136.68629	0.6
146.07394	1.3
151.00385	1.7
152.01134	1.2
161.04543	0.9
161.09744	9.1
178.99791	1.2
179.05612	1.0
179.10788	32.0
180.11148	2.3
200.04906	0.8
203.10794	3.1
211.04030	1.4
223.09769	54.5
224.10124	2.5
227.03513	27.7
228.03851	2.0
229.05028	1.3
229.40869	1.0
255.03004	54.4
256.03516	6.6
257.04361	1.1
284.03278	87.3
285.03897	14.3
327.30746	0.7
381.12927	0.6
385.15048	16.7
386.15573	0.9
399.07318	0.8
409.45792	0.7
563.14087	100.0
564.14484	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.6827
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30280	7.8
94.06872	4.7
183.88234	5.0
193.72316	5.5
316.74329	6.0
422.92596	5.2
431.83102	4.9
469.33075	19.4
487.34348	100.0
488.34540	22.3
489.29968	14.1
649.76654	5.9
867.38531	6.1
943.93896	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5681
Annotation	Unknow
Peak:m/z	Relative Intensity
69.05776	4.0
76.04173	0.3
83.05020	0.9
95.33855	0.4
111.04512	0.6
112.26138	0.4
138.06892	6.6
194.08943	0.4
196.89206	0.3
347.56519	0.4
379.26434	7.6
380.26782	1.0
408.36642	0.4
437.30640	100.0
438.30954	12.7
476.82388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	1.3
71.01384	10.6
72.99348	1.4
73.02947	4.0
83.01408	1.8
85.02956	2.4
89.02461	2.9
93.03460	1.5
96.78372	0.9
97.02962	2.1
98.22246	1.0
101.02458	3.6
104.68887	0.8
107.05021	1.6
109.02981	1.8
109.06616	2.3
113.02464	2.4
121.06583	0.9
125.02457	6.6
135.04579	1.2
137.02466	2.7
137.06104	1.1
161.02440	1.7
163.11311	1.3
164.01147	1.5
165.01958	1.7
177.01924	1.1
191.05650	3.9
209.15550	1.4
221.15443	1.7
239.16516	16.6
289.07291	1.2
299.16837	1.2
334.67319	1.1
339.16205	1.1
351.19250	1.1
367.15561	1.6
379.19250	1.6
383.20813	2.3
401.21851	100.0
402.22211	9.1
407.07602	1.5
423.17792	1.5
441.19208	5.5
467.17548	1.5
497.22021	1.4
497.43588	1.2
541.20825	2.9
559.21887	61.9
560.22272	9.9
561.22980	1.3
943.07446	1.1
949.79431	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.6538
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12790	3.9
69.13206	8.7
77.92475	1.5
80.51781	2.0
94.14239	1.7
98.22478	3.1
101.98779	2.0
278.07779	2.1
423.32233	2.7
490.30234	1.8
491.31421	100.0
492.31915	15.6
552.60126	1.8
679.69147	2.2
883.74591	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21646	13.1
71.01385	21.0
72.99334	2.4
85.02970	5.4
87.00867	2.2
89.02451	15.5
95.01407	2.7
96.96033	2.4
101.02438	13.3
102.87829	2.1
109.02955	3.5
111.30520	2.0
113.02425	10.1
119.03503	10.9
125.02467	5.1
133.06596	4.0
139.07681	4.3
145.90004	1.9
146.98280	2.0
151.04028	2.4
179.05682	1.9
205.12343	2.3
220.03401	2.1
254.62593	1.9
330.13132	10.2
331.13947	9.0
441.17688	100.0
442.17944	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
75.20284	0.4
78.95908	27.9
83.45511	0.4
96.96964	2.3
98.22544	0.9
150.98032	0.6
152.99600	41.3
154.00020	0.5
165.25694	0.3
171.00659	11.2
182.08905	0.3
227.03307	3.2
245.04318	69.8
246.04665	1.4
253.21735	37.7
254.22052	2.5
481.25745	100.0
482.26126	10.2
580.31738	0.4
721.77618	0.5
940.74744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6873
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10974	3.0
78.51250	0.4
81.03468	8.0
83.05034	18.2
84.05384	0.6
98.02245	0.6
108.04576	1.0
110.06133	0.4
111.82047	0.4
123.01055	0.4
125.07248	1.0
180.00777	0.5
193.19029	0.4
207.15067	1.4
224.17595	2.9
225.11452	0.9
225.16118	9.4
236.83362	0.5
242.18913	0.6
326.04391	0.5
333.23309	0.9
341.29321	0.7
367.27341	1.3
391.84079	0.5
433.32159	1.2
450.34805	0.9
451.32956	7.2
452.33557	0.9
495.01065	0.5
567.46338	0.7
588.56146	0.6
625.43805	0.5
642.87225	0.5
646.19525	0.6
675.21875	0.5
676.51575	0.4
677.49689	0.8
694.19037	0.5
778.90582	0.5
885.65582	0.6
903.66608	100.0
904.66882	25.0
937.96442	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	1.7
73.02951	1.0
83.01385	1.9
85.02961	1.7
87.00884	1.3
89.02447	0.5
97.02925	0.5
97.98196	0.6
98.22633	0.7
99.00902	0.5
101.02438	1.1
105.10753	0.4
107.01411	4.4
109.03001	0.6
115.03976	0.7
117.03461	3.0
119.03568	0.6
124.01675	1.8
125.02451	3.7
126.88997	0.4
131.03511	1.3
133.02913	0.5
134.03699	0.5
135.04509	0.7
135.11800	0.6
137.02461	1.3
143.03542	0.9
149.02437	2.0
150.03244	1.0
151.00381	12.0
152.01167	7.9
152.03011	0.5
155.05078	0.7
159.04491	0.5
161.02492	0.5
161.09705	1.0
165.01959	0.9
165.05609	0.8
167.03487	0.5
169.06612	0.9
173.06015	0.6
178.99872	6.2
179.10793	5.2
183.04626	0.6
191.10498	0.5
195.06618	0.5
196.05302	0.9
197.06107	1.6
199.04126	0.5
201.05598	0.9
203.10698	0.6
223.09772	8.6
224.04942	0.6
224.10120	0.7
225.05573	3.7
227.03458	0.6
243.06898	0.6
255.03012	0.7
259.06134	1.9
269.04562	100.0
270.04901	7.1
284.03159	0.8
285.04086	1.1
287.05426	1.2
297.10919	0.6
329.13596	0.6
367.11960	0.8
372.11795	0.5
385.15335	4.0
561.12457	0.6
579.17218	48.5
580.17902	5.7
747.92242	0.5
771.08826	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.6147
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31688	0.4
80.79520	0.2
83.05028	0.6
111.04535	0.6
129.26112	0.2
138.06883	5.2
153.05591	0.3
188.53966	0.2
335.27271	0.4
379.26419	7.4
380.26700	0.9
437.30621	100.0
438.30951	13.4
481.29980	0.4
830.36963	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.6149
Annotation	Unknow
Peak:m/z	Relative Intensity
67.12312	0.7
69.03612	6.5
71.01388	10.5
71.46129	0.6
102.08367	0.6
110.07218	0.9
153.62279	0.7
154.34048	0.8
156.24080	0.9
198.47600	0.7
269.11279	0.9
427.28406	2.4
482.25879	0.8
485.32767	100.0
486.26447	1.2
486.33145	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.6143
Annotation	Unknow
Peak:m/z	Relative Intensity
67.55646	0.5
71.01360	0.5
74.73634	0.5
78.95884	0.6
79.95730	1.1
80.96525	1.1
85.07172	0.4
96.96020	2.1
97.83152	0.4
111.64426	0.4
125.02445	0.6
136.37778	0.5
144.82704	0.5
148.28070	0.5
188.33481	0.5
209.11891	0.9
216.47554	0.4
338.39294	0.5
383.29639	2.0
441.33502	1.3
467.31451	1.0
481.75830	0.5
483.31137	1.2
484.31573	2.7
485.32748	100.0
486.33066	13.8
522.34979	0.6
697.68604	0.5
965.44067	0.8
966.42621	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5642
Annotation	Unknow
Peak:m/z	Relative Intensity
67.45381	0.5
69.03454	0.9
71.01385	9.8
71.30797	0.7
72.99299	1.0
73.02953	1.1
82.95401	2.0
82.96831	0.7
85.00440	1.2
85.02966	2.0
87.00886	2.6
89.02454	7.1
97.02964	1.3
101.02448	7.0
106.67847	0.6
113.02439	4.3
119.03545	1.6
125.02458	2.6
143.03522	1.4
161.04611	1.0
162.14197	0.6
164.93822	0.7
171.52965	0.5
179.05666	1.4
179.14378	0.8
181.12437	0.7
195.13911	10.0
196.14410	0.6
205.12294	1.2
221.06694	1.2
223.13409	7.1
228.13739	0.9
235.08229	1.7
253.09476	0.9
255.23425	1.1
256.13162	1.5
265.21805	0.7
275.20114	6.0
287.07803	1.0
293.21252	100.0
294.21597	7.8
323.09979	0.8
379.12225	1.2
397.13510	13.4
415.14594	7.5
439.84473	0.6
483.27502	0.7
691.35944	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.7037
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76885	56.2
100.24551	10.3
361.14072	12.7
417.36972	13.3
452.40643	12.4
483.34842	100.0
520.92670	12.7
714.66833	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	1.2
68.51404	0.4
69.03465	18.5
71.01379	0.7
71.31237	0.5
85.02963	3.6
85.41208	0.4
97.02961	100.0
98.03305	2.5
112.78156	0.4
121.02943	1.6
122.03763	0.8
123.04525	0.7
135.04535	3.1
135.89616	0.4
137.06081	0.9
143.05020	0.4
145.02954	0.5
146.71989	0.4
147.04512	0.9
148.05278	0.8
156.05809	0.8
163.07700	1.1
217.12361	1.4
225.12830	1.9
238.80167	0.3
240.11386	0.6
241.12297	0.5
242.13124	1.5
249.12802	0.4
255.14008	0.8
257.15497	1.2
265.15979	1.9
267.13754	0.4
275.16568	0.5
283.17108	2.5
304.13214	0.9
318.55325	0.4
319.15546	0.9
323.20212	0.6
327.16129	2.5
337.21841	1.0
341.21231	1.0
348.22833	0.4
377.25125	0.8
385.20236	21.7
386.20590	2.1
395.26013	0.8
403.21332	7.8
404.21875	0.7
431.22739	0.7
439.24976	3.0
483.23929	54.5
484.24353	8.1
545.24255	5.8
546.24652	0.6
584.46631	0.4
690.18347	0.4
788.86981	0.4
846.73108	0.4
879.18231	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01360	0.2
71.31850	0.2
75.71693	0.2
76.49772	0.1
79.95749	2.0
96.96021	63.2
97.95963	0.2
102.25999	0.2
105.73189	0.1
109.02953	0.2
125.02413	0.3
135.98915	0.1
151.19914	0.2
191.05618	0.3
204.34567	0.2
289.07434	0.1
413.20068	100.0
414.20374	9.8
435.22220	0.2
559.21814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5662
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30531	100.0
111.15124	63.7
115.84543	66.0
238.81610	60.6
500.84247	64.6
969.79987	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16594	0.9
69.16992	2.2
71.01387	9.6
72.99316	0.7
73.02950	2.7
83.01389	1.9
84.21863	0.3
85.02946	3.6
87.00861	0.4
89.02448	2.2
93.03466	0.7
95.01372	0.7
96.95983	0.6
97.02982	0.4
98.22098	1.7
99.00893	0.8
101.02450	6.0
109.02915	0.5
109.06532	0.4
111.00917	0.8
113.02477	2.5
119.03481	1.0
125.02463	1.4
129.01964	0.5
135.04530	1.1
161.02420	0.5
175.03998	0.4
179.03548	0.4
191.05609	1.4
235.17082	0.7
253.18053	4.4
269.12234	0.4
273.11319	0.6
289.07123	0.5
351.19366	0.4
383.14441	0.4
397.22522	1.9
415.23407	100.0
416.23761	10.8
547.95673	0.4
559.21844	11.0
560.22272	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	4.7
69.94598	4.3
69.95015	5.2
71.01363	4.2
74.67284	2.0
79.93954	1.7
81.03444	9.0
83.01395	17.7
83.05021	4.5
93.03466	6.8
95.01374	2.7
95.05026	4.7
97.02932	9.3
99.04522	4.4
101.02444	3.1
107.05009	1.9
109.02976	12.2
121.02982	10.0
122.03761	3.3
123.04525	5.6
124.01595	2.1
125.02462	100.0
126.02803	4.1
133.03009	2.9
134.66212	1.7
135.04495	6.2
137.02455	79.8
139.03983	4.1
146.03746	27.0
147.04466	2.3
149.02420	3.2
151.04027	8.6
158.03635	2.4
159.04510	10.0
160.05231	6.6
161.02451	6.8
161.06104	4.7
163.11325	5.4
164.01167	21.2
165.01952	51.0
165.12827	3.0
166.02361	2.1
167.03513	26.8
172.05330	7.7
173.06129	6.0
174.03197	13.0
174.06851	3.8
175.03981	6.6
176.04724	3.8
177.01939	7.7
179.03481	16.7
185.06154	5.0
186.06891	3.1
187.04056	8.4
188.04784	11.4
189.05481	3.4
190.02812	2.0
191.33440	1.8
196.05252	2.6
199.07643	1.7
200.04829	8.0
201.05527	6.7
204.04268	6.7
209.11858	34.9
210.06799	2.9
210.12157	2.1
211.13374	2.1
212.04805	6.0
225.05582	6.2
226.06219	2.1
227.12846	2.3
237.05600	2.8
243.13873	2.9
251.07225	2.9
252.07945	3.4
255.13991	4.4
263.48758	2.3
267.13553	2.3
268.07404	4.5
269.11874	7.0
270.08951	4.3
270.12000	2.3
271.13428	40.7
272.13742	3.3
283.13431	6.0
285.14954	5.8
287.12854	3.6
289.14471	13.0
294.09055	4.1
295.13428	4.0
297.14944	5.2
299.12842	11.4
301.14468	5.1
313.14444	24.0
314.14813	2.7
315.16052	5.4
317.13968	5.3
320.06726	3.3
325.14532	11.8
331.15643	4.2
337.14496	12.0
343.15494	5.8
353.17526	4.7
355.15277	3.4
365.33160	1.9
367.19452	2.4
377.17740	5.7
393.16739	2.6
395.18716	4.6
419.18771	20.2
420.18945	3.7
437.19925	9.8
438.19980	2.7
463.17548	6.4
542.69611	1.9
567.24432	8.0
579.24512	3.5
591.24420	3.7
597.24780	2.6
673.28491	10.5
699.26190	2.2
717.27484	6.3
759.35565	2.9
763.35187	3.5
777.36792	16.1
778.37231	5.5
789.37677	12.5
801.37250	9.1
807.38342	11.4
808.37659	2.8
883.40997	13.8
884.41254	3.6
901.40887	4.2
909.39575	10.5
927.21973	3.9
927.40173	73.3
928.40778	19.2
945.41290	42.3
946.41357	12.6
959.42108	11.8
960.42761	5.2
975.63593	2.5
977.43781	21.1
978.44379	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	978.5797
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89343	15.3
74.87704	16.5
82.56496	14.9
98.22650	23.2
123.39812	20.3
143.18771	16.8
217.80804	16.1
232.91385	15.9
265.36157	17.1
277.21716	100.0
280.20007	15.9
397.13669	27.4
462.40619	16.4
472.93866	17.5
926.69470	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43667	2.9
97.11581	0.7
107.01395	1.1
125.88014	0.5
132.02191	0.5
151.00366	1.4
152.01183	0.5
163.00481	0.7
178.99681	0.7
183.04558	0.7
192.49797	0.6
211.04103	1.3
213.05389	0.7
227.03514	31.6
228.03827	2.5
229.04924	1.0
239.03374	0.7
255.03001	56.1
256.03571	5.8
257.04565	0.7
283.02426	0.7
284.03275	80.4
285.03943	17.1
286.04492	1.1
300.02618	1.3
398.47717	0.6
399.07291	0.8
417.08353	9.1
418.08624	1.0
447.09421	2.6
468.77170	0.5
563.14069	100.0
564.14325	12.4
1006.29401	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.6818
Annotation	Unknow
Peak:m/z	Relative Intensity
90.74185	3.4
90.83932	3.2
100.55932	2.9
126.87154	2.7
261.54855	3.2
331.76596	3.0
376.79846	3.0
425.34299	36.8
426.34991	3.7
451.31949	6.1
461.33228	3.3
469.33279	100.0
470.33487	16.1
489.29901	5.5
491.31332	5.3
511.34476	5.0
840.51587	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.6823
Annotation	Unknow
Peak:m/z	Relative Intensity
83.67753	0.8
87.09534	0.9
99.04541	1.8
107.55427	0.8
109.06585	1.5
112.25302	0.8
117.05295	0.8
149.81955	0.9
164.91364	1.1
171.78209	1.0
186.43436	1.0
223.02296	0.9
262.03690	1.0
375.35767	1.1
425.34299	6.2
451.32098	11.7
452.32431	1.7
469.33267	100.0
470.33762	12.2
497.49207	1.2
511.34439	13.8
512.34784	2.5
583.22314	1.1
772.42059	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27805	1.3
71.01370	0.4
72.76270	0.2
85.02933	0.2
87.67958	0.2
101.02442	0.2
109.26308	0.2
113.02422	0.3
137.02368	0.2
138.03203	0.2
161.04552	0.2
187.07602	0.2
199.03975	0.2
227.03438	0.2
242.02104	0.2
243.06631	0.2
243.10220	0.7
255.03006	0.7
257.04550	0.8
258.01675	0.4
258.12564	0.3
269.04587	0.3
269.07779	0.2
270.05341	0.5
271.06302	0.4
271.09744	0.5
272.03256	1.2
272.06750	0.4
273.03979	1.3
273.07687	0.2
281.08215	0.4
283.06067	0.5
286.04858	0.2
287.05667	6.5
287.09137	0.8
288.06323	2.1
289.07056	0.2
297.07669	1.1
297.10941	0.4
298.08350	0.6
299.09268	1.0
301.07028	0.5
302.07971	0.2
302.11554	0.3
309.07922	0.3
311.12967	0.3
312.10107	0.6
313.10635	1.3
314.11615	1.3
315.08878	2.0
316.09064	0.3
323.09286	0.2
324.10254	0.4
325.07138	1.1
325.10522	0.2
326.07938	3.8
327.08755	2.3
327.12241	0.3
328.09305	0.3
329.13892	0.6
330.11102	1.1
339.12292	0.3
340.09558	1.4
341.10275	5.8
342.10999	2.7
343.08200	2.3
343.11758	0.3
344.08704	0.3
345.13391	2.2
346.13547	0.3
355.11884	2.4
356.12619	5.2
357.09793	0.4
357.13449	6.1
358.10474	2.5
358.14066	0.2
371.14996	5.9
372.15411	0.6
373.12933	26.4
374.13235	2.7
388.15308	21.8
389.15552	1.9
403.17630	100.0
404.17966	11.3
404.25775	0.2
417.25037	0.7
565.23798	0.2
796.32550	0.2
863.30914	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5595
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	26.8
71.32190	2.8
72.99306	3.5
73.02939	4.8
79.00019	2.1
85.00433	3.2
85.02966	4.7
87.00879	8.1
89.02460	16.5
96.96043	5.8
97.02940	5.7
101.02460	20.8
111.08179	9.7
113.02477	10.8
115.66032	2.3
116.92941	3.1
119.03499	5.6
125.02468	12.1
167.10858	2.9
179.05597	5.5
179.10777	3.3
195.13896	17.6
197.45586	2.8
205.53696	2.2
209.11852	3.5
216.40547	2.8
223.13416	4.1
235.08328	5.4
252.61482	2.8
256.13248	3.0
273.18643	2.6
275.20114	5.6
291.19678	88.0
292.20020	7.1
293.21252	100.0
294.21677	8.1
294.44223	2.5
397.13544	26.3
415.14590	14.5
452.10315	2.9
463.69339	2.8
530.83466	3.1
998.73096	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	0.4
69.03871	1.5
71.65075	0.2
79.95742	61.9
80.96524	0.5
85.59019	0.2
95.95240	16.9
96.96019	30.3
98.21769	0.3
106.69787	0.2
109.96808	1.1
110.97588	14.8
111.99645	0.2
119.50909	0.2
122.34286	0.2
124.95492	0.4
136.99164	2.2
141.95786	8.2
151.00700	1.3
152.98662	1.8
164.38939	0.2
165.02274	0.3
173.04614	0.2
243.06612	0.9
287.05951	0.5
301.07452	0.5
330.14618	0.3
345.17215	0.7
410.10562	0.5
425.12793	100.0
426.13123	9.6
575.21051	0.6
793.32196	0.2
882.37524	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.354
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95744	55.8
80.96533	0.4
90.78300	0.2
95.95242	13.9
96.96019	25.8
98.22556	0.3
105.12411	0.2
109.96816	0.9
110.97589	20.3
120.01644	0.2
124.95486	0.3
125.02453	0.2
136.99162	2.4
141.95792	9.0
151.00671	0.9
152.98662	1.8
165.02278	0.5
220.07890	0.2
228.04257	0.7
243.06601	2.0
258.08896	0.4
282.28839	0.2
301.07642	0.7
302.07959	0.2
314.48102	0.2
330.14841	0.6
345.17114	1.1
347.20157	0.2
410.10468	0.4
425.12796	100.0
426.13089	9.6
495.04672	0.2
559.42487	0.2
661.22668	0.2
1014.90466	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.377
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07213	1.3
69.07548	8.4
71.01376	1.8
81.03470	2.2
83.01447	0.9
83.05043	1.9
85.03008	0.9
87.00890	1.4
93.03467	17.1
97.02968	0.8
97.06595	0.8
98.21967	3.1
99.04523	13.9
108.62376	0.9
109.02947	2.1
111.04524	7.6
117.03481	1.5
119.05034	58.3
120.05360	1.2
121.02973	3.3
123.04498	1.1
125.02464	2.7
129.21812	0.9
133.06635	5.0
137.02464	2.7
143.05063	1.0
145.02945	1.7
155.03513	8.5
157.06589	1.6
159.04539	0.9
159.08157	1.4
163.04021	50.1
164.04393	1.4
165.01892	1.2
171.08226	1.5
171.99048	0.9
173.04556	35.3
173.09715	3.3
177.05568	2.1
183.08128	2.1
184.33324	0.9
187.07648	2.0
191.05598	8.1
197.09770	1.2
201.09195	1.3
209.09724	1.5
209.11731	1.1
213.12874	3.8
217.08755	0.9
219.08078	1.8
237.09152	1.4
240.88049	0.9
279.13818	1.3
295.13470	1.0
504.94324	1.1
659.24445	1.5
666.72327	1.3
719.27069	4.9
759.30426	9.3
760.30212	1.8
819.32379	100.0
820.32739	17.8
993.37683	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	1.0
69.05408	5.7
71.05006	0.6
78.14611	0.5
81.03448	1.1
83.01408	1.0
83.05042	3.7
85.02964	1.9
87.00887	1.0
93.03466	15.2
95.05042	0.7
97.02945	1.6
98.22146	3.3
99.04527	13.5
106.04252	0.8
107.05035	1.3
108.02184	0.8
109.02962	3.0
109.06615	1.8
111.04523	5.2
117.03497	2.0
119.05040	89.4
120.05368	3.6
121.02990	5.0
123.04559	0.9
125.02477	1.6
127.04026	0.9
129.01932	1.4
131.05038	0.9
133.06625	8.2
135.04526	2.8
137.02463	2.4
137.06053	1.2
143.05087	1.1
145.02971	5.8
145.06584	1.0
149.06044	0.7
155.03516	6.0
155.98982	0.6
157.06633	1.8
159.04523	0.9
159.08194	2.2
161.06085	1.0
163.04025	57.7
164.04378	1.5
171.04558	1.3
172.05367	0.7
173.04561	19.7
173.05919	0.7
173.09744	1.5
177.05551	2.7
183.08170	1.9
185.06111	2.2
185.09778	0.9
187.07660	4.6
189.09207	1.1
191.05623	6.1
199.07703	0.7
201.09229	3.1
209.09700	1.2
211.11279	1.2
213.12898	1.3
214.09929	0.9
219.08195	2.0
221.09775	2.3
223.11279	0.7
227.07091	0.6
229.08749	1.4
229.12434	1.6
235.11336	0.7
237.09213	1.3
239.10829	1.2
253.12488	0.9
255.10217	1.4
261.12903	1.4
265.08722	0.7
273.11374	2.7
277.12256	0.9
279.13971	2.5
295.13504	1.6
297.15219	1.7
299.09259	1.4
305.15689	0.9
307.16809	0.8
317.10416	2.2
329.15765	0.7
370.35095	0.6
659.25000	5.4
660.25739	1.1
719.27075	12.9
720.27802	2.1
759.30298	21.5
760.30902	3.5
819.32373	100.0
820.32745	19.7
846.29980	0.8
993.37659	5.6
994.38702	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	1.1
71.01376	1.6
71.04994	1.7
71.31470	0.6
72.99304	1.1
73.02946	7.7
75.00835	0.6
75.68217	0.5
78.58677	0.6
81.03421	0.9
83.01366	0.5
83.05018	1.1
85.02937	1.9
87.00875	1.3
87.04510	1.0
89.02454	0.7
93.03437	0.8
95.05003	1.8
97.06533	0.6
99.04498	3.1
107.05003	2.2
109.02972	0.6
109.06591	2.7
111.04498	1.3
111.08228	0.7
113.05975	0.6
121.06628	2.7
123.04533	2.8
125.02408	2.4
128.53838	0.5
133.06604	0.8
135.04543	1.0
135.08163	1.6
137.06071	2.2
139.07635	1.3
149.06052	1.8
159.04619	0.7
159.08145	1.2
161.09735	3.1
163.11255	0.6
164.34412	0.5
167.07135	1.5
171.04042	0.5
171.08232	0.7
172.05264	0.7
173.06065	1.4
175.07634	1.3
177.05646	0.9
177.09180	2.5
179.10765	1.4
181.05109	0.8
185.06122	0.6
187.03874	0.6
187.07701	1.6
189.09184	1.3
191.05614	1.5
195.10233	1.1
199.07570	1.6
200.04752	1.2
201.05545	0.8
201.09206	2.6
203.07155	0.7
203.10646	0.6
205.08717	1.0
211.07487	0.9
213.09225	1.0
214.06438	0.6
215.07141	7.4
215.10701	1.6
216.07898	1.9
217.08749	3.6
223.09615	0.7
225.09157	0.9
227.10675	0.6
229.08575	1.1
239.10794	2.8
241.05038	1.4
241.08716	1.7
243.10181	1.4
253.08830	1.5
253.12206	0.7
255.10103	0.7
265.12219	1.0
267.10223	1.1
271.09811	2.1
277.11807	0.6
281.11807	1.0
283.09741	1.9
283.13269	1.4
293.11636	0.6
307.13556	1.0
309.11380	1.1
309.14990	1.2
321.15128	1.1
323.16333	0.7
325.14514	0.7
327.16016	0.8
335.16547	0.8
337.14288	3.8
339.15967	1.0
355.15332	2.8
365.13864	1.3
377.17557	3.6
383.14996	19.8
384.15408	2.2
393.16855	0.9
395.18680	8.0
396.19077	0.9
403.17679	1.3
409.16568	1.3
411.18192	0.8
413.19751	2.6
421.16299	1.7
421.21313	0.7
429.19528	0.6
439.17517	3.2
449.14716	0.8
451.20920	0.8
455.17188	1.7
456.17947	0.7
457.18698	79.6
458.18970	8.4
473.18188	3.4
483.16281	0.7
495.20114	1.0
513.21466	11.5
514.21515	1.1
531.22321	14.7
532.22766	1.7
557.20215	1.9
575.21350	100.0
576.21735	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.5737
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	0.7
71.05035	0.5
76.76681	0.3
93.94849	0.3
97.02972	0.4
104.69746	0.3
109.06590	1.0
125.02477	0.4
137.02473	0.5
138.06914	0.4
139.07660	100.0
140.08034	2.0
175.03990	0.3
184.39368	0.3
244.97617	0.3
358.21570	0.4
395.25839	5.1
396.26324	0.4
439.24805	3.7
440.25052	0.4
453.30118	96.1
454.30496	10.1
495.28253	0.6
497.22623	0.5
497.29236	6.7
498.29135	0.7
557.15564	0.4
606.25098	0.3
698.87360	0.5
920.18738	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.502
Annotation	Unknow
Peak:m/z	Relative Intensity
69.91427	19.5
81.03471	6.5
83.01402	16.7
85.39531	5.1
97.02963	6.2
109.02960	7.0
117.54766	6.2
121.02895	10.6
125.02454	100.0
137.02467	79.4
146.03769	27.9
147.58249	5.8
151.04037	6.3
159.04558	9.4
160.05330	6.8
164.01169	16.8
165.01955	49.4
167.03487	31.1
174.03258	18.2
177.01923	12.4
179.03545	18.9
188.04811	7.6
194.26953	5.2
200.00482	5.8
200.04965	9.1
201.05595	7.9
269.11996	8.1
270.30240	5.4
271.13376	31.5
277.21707	23.2
299.13055	14.1
313.14566	25.5
325.14404	10.0
328.43546	6.2
394.32355	5.9
419.18756	23.6
437.19641	14.5
463.17416	9.1
500.93152	7.4
566.31500	6.2
717.26428	8.3
827.45306	17.1
839.45575	16.2
851.45074	7.9
857.46552	9.7
933.49902	21.5
959.46246	6.4
977.49243	87.7
978.49200	27.0
995.49689	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	4.4
71.01393	4.0
71.31712	3.0
80.42507	2.9
81.03473	10.2
83.01398	23.2
87.66277	2.2
93.03468	5.2
95.01404	4.7
95.05032	5.2
97.02962	9.8
99.04548	6.6
101.02501	3.0
109.02986	16.0
121.02987	10.9
122.03757	3.0
123.04536	6.0
125.02455	98.8
128.13879	2.3
135.04517	3.6
137.02457	100.0
139.04112	3.5
146.03748	38.6
149.02486	3.4
150.03218	2.9
151.04034	4.2
159.04539	12.7
160.05276	5.0
161.02493	4.9
161.06094	3.8
163.00450	2.9
164.01176	27.9
165.01947	55.2
167.03499	31.1
172.05365	8.5
173.06058	6.7
174.03255	15.7
174.06905	4.3
175.03996	6.8
176.04921	4.0
177.01984	8.4
179.03510	17.9
187.02428	2.6
187.04033	8.5
188.04788	9.6
193.13042	2.8
197.06107	3.3
199.07793	3.5
200.04825	7.9
201.05553	6.5
204.04329	7.1
209.06177	2.5
210.06998	3.5
211.04027	2.8
212.04884	13.4
223.07706	3.0
224.04761	2.6
225.05682	7.6
226.06418	3.1
237.05611	3.2
239.07074	2.5
251.07109	4.3
252.07895	6.4
255.13988	4.1
268.07364	6.5
269.11932	7.4
269.15396	4.1
270.09067	5.4
271.13412	48.7
271.92331	2.7
277.21814	11.7
283.13611	5.6
285.14957	6.9
287.12781	2.6
288.06497	4.0
289.14529	18.3
294.09091	5.3
295.13516	5.8
297.15048	5.6
299.12985	9.1
301.14667	5.2
307.13318	2.9
309.15030	3.1
313.14401	22.1
315.15936	4.3
317.14081	6.6
320.06885	4.1
325.14459	14.0
331.15533	6.4
335.16602	5.1
337.14578	8.8
343.15582	9.6
351.16016	5.2
353.17679	4.2
355.15521	6.0
377.17792	4.9
379.15555	3.7
393.17218	3.9
395.18738	7.8
413.19553	3.6
419.18790	16.6
437.19745	16.0
438.20758	2.7
445.16312	2.8
454.67142	2.4
463.17508	6.7
567.24634	6.4
568.23480	2.7
579.24414	4.8
591.24457	3.8
597.26001	3.0
646.85443	2.5
673.28375	13.7
691.28845	4.9
699.26624	4.2
717.28156	11.5
758.33386	2.8
827.45746	14.2
828.46252	3.6
839.45453	14.8
840.45361	3.0
851.46350	11.1
857.47028	12.3
933.50238	19.0
934.50665	5.1
951.49622	5.3
959.47662	9.6
965.92267	2.3
977.49005	81.4
978.49054	25.1
995.30707	3.7
995.50146	50.3
996.50885	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.59
Annotation	Unknow
Peak:m/z	Relative Intensity
73.54377	0.2
76.34702	0.2
97.02980	0.2
97.32261	0.2
98.21703	0.4
99.04533	2.8
125.02475	0.4
210.62291	0.2
256.27908	0.2
271.16974	0.4
363.26697	0.3
381.23843	0.2
381.28040	4.7
382.28482	0.6
399.29236	1.1
407.25882	1.6
421.31131	2.0
425.27017	11.8
426.27359	1.4
439.32294	0.8
443.28143	3.7
444.28607	0.2
447.28961	0.5
465.30197	5.5
466.30585	0.7
483.31201	12.9
484.31470	1.3
493.26257	0.4
501.32272	100.0
502.32608	13.0
515.31213	0.2
680.59711	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.6108
Annotation	Unknow
Peak:m/z	Relative Intensity
82.59456	0.2
83.05026	0.9
84.28922	0.2
96.01112	0.2
99.45999	0.2
111.04517	0.9
125.06102	0.2
138.06880	6.3
153.05594	0.5
188.47113	0.2
277.21710	1.6
335.27557	0.4
379.26434	9.3
380.26782	1.0
437.30618	100.0
438.30945	12.7
580.75616	0.3
707.14380	0.3
918.86151	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.226
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31772	1.1
93.03490	0.6
93.65799	0.5
107.01398	1.5
125.02376	1.0
135.00922	1.0
146.21965	0.6
151.00374	2.6
163.00363	0.7
164.01161	0.8
168.05150	0.5
178.99931	1.1
198.52307	0.6
211.03969	1.8
224.38927	0.6
227.03511	47.1
228.03889	2.9
229.05028	2.0
229.08913	0.5
239.03522	1.0
240.13264	0.6
255.02995	76.4
256.03546	9.8
257.04416	2.4
283.02390	0.8
284.03271	100.0
285.03943	25.7
286.04501	1.2
327.04816	0.7
399.07324	0.7
447.09335	49.1
448.09579	5.5
467.35876	0.6
549.12512	94.1
550.12854	12.0
555.90289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.226
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31772	1.1
93.03490	0.6
93.65799	0.5
107.01398	1.5
125.02376	1.0
135.00922	1.0
146.21965	0.6
151.00374	2.6
163.00363	0.7
164.01161	0.8
168.05150	0.5
178.99931	1.1
198.52307	0.6
211.03969	1.8
224.38927	0.6
227.03511	47.1
228.03889	2.9
229.05028	2.0
229.08913	0.5
239.03522	1.0
240.13264	0.6
255.02995	76.4
256.03546	9.8
257.04416	2.4
283.02390	0.8
284.03271	100.0
285.03943	25.7
286.04501	1.2
327.04816	0.7
399.07324	0.7
447.09335	49.1
448.09579	5.5
467.35876	0.6
549.12512	94.1
550.12854	12.0
555.90289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00386	13.5
78.15922	1.1
82.38176	1.0
83.01391	1.4
85.91331	1.0
87.00871	1.8
107.01424	4.9
117.03478	2.8
124.01694	1.3
125.02486	2.9
135.04509	2.1
137.02422	1.4
151.00375	9.7
152.01170	6.4
169.06497	1.5
178.99870	5.1
225.05600	3.6
227.03511	11.5
255.02992	13.6
256.03717	1.6
259.05905	3.2
269.04559	100.0
270.04941	6.6
284.03275	18.0
285.03928	4.3
300.02560	1.7
333.11197	1.2
346.94412	1.1
352.41888	1.3
417.08313	12.4
418.08801	1.3
447.09424	3.1
549.12408	7.4
579.17230	54.0
580.17822	5.8
583.27338	1.3
767.25647	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03471	0.3
71.01359	0.5
71.30888	0.3
71.69900	0.2
73.02927	0.3
73.35944	0.2
81.03455	0.8
83.01385	0.9
83.05029	0.9
85.02961	4.8
87.00874	1.4
93.03455	0.7
94.04267	0.2
95.05050	0.5
97.02948	0.5
97.06596	1.0
98.03831	0.2
99.04525	1.0
107.01398	1.9
107.05040	1.7
108.02192	0.8
109.02948	3.3
109.06598	8.2
111.00838	0.4
111.04524	1.2
111.08189	0.4
119.05032	0.6
121.02985	2.2
121.06619	2.7
122.03728	0.8
123.04506	0.9
123.08161	0.8
125.02444	0.8
125.06090	2.9
133.06599	0.3
135.00890	0.4
135.04558	1.5
135.08168	0.8
137.06097	3.4
139.03990	0.3
139.07661	4.6
145.02989	0.4
147.04469	0.3
147.08121	0.9
148.01727	0.6
149.02425	0.5
149.06049	0.8
149.09763	0.3
151.00383	8.9
151.01582	0.5
151.03986	0.8
151.07672	0.4
159.04533	0.5
159.08165	0.7
160.05263	0.3
161.02406	0.5
161.06129	0.5
161.09753	1.2
163.00409	1.8
163.03978	0.5
163.07669	2.1
164.08412	0.8
165.01901	0.2
165.05478	0.7
165.09183	0.5
166.06371	0.6
167.07202	0.7
169.01472	0.5
172.05284	0.3
173.06093	0.9
173.09650	0.3
175.03984	1.0
175.07677	2.2
177.09256	1.2
178.99858	4.0
179.07135	0.6
179.10762	5.0
180.00314	0.2
180.11124	0.2
183.04532	0.3
185.02480	0.2
185.06090	0.4
187.07658	1.0
188.04764	0.6
188.08351	0.3
189.05547	0.8
189.09210	0.6
190.99792	0.3
191.05641	0.6
191.07181	0.6
193.08730	0.7
199.04016	0.3
199.07655	0.3
201.05528	0.4
201.12796	0.3
203.03569	0.3
203.07124	1.9
203.10730	0.5
205.08698	1.0
206.09511	0.3
207.10284	0.4
211.03989	0.9
213.09236	0.5
215.03526	0.3
215.07150	0.5
215.10672	0.3
216.04210	0.3
217.08701	0.5
219.10292	0.4
225.11324	0.4
226.02704	1.0
227.03476	2.7
227.10776	0.5
229.05145	0.5
229.08676	0.8
229.12196	0.6
231.10173	1.6
233.08215	0.7
233.11923	0.6
235.09756	0.7
239.03510	0.4
240.08090	0.3
243.02992	4.5
243.10223	0.5
245.04562	1.1
245.11836	1.5
247.09758	0.3
254.02217	1.0
255.02995	13.4
255.10202	1.8
256.03497	1.0
257.04749	0.3
257.11829	0.9
261.11395	0.5
271.02490	25.1
272.02991	1.9
273.04050	1.1
273.11337	3.3
275.12802	0.4
283.02551	1.3
283.09732	0.9
283.13153	0.3
284.03217	1.7
285.04047	0.4
285.11450	0.3
287.16440	0.3
291.12320	0.5
297.15057	0.4
299.01901	0.9
299.12863	0.9
299.16324	0.5
300.02771	46.4
301.03522	37.2
301.07135	0.5
301.10748	0.5
301.14471	0.6
302.03809	2.6
303.12418	0.6
307.13629	0.3
313.14502	0.8
317.17578	0.3
325.14410	1.2
327.16064	0.6
331.15482	0.2
335.12982	0.3
339.19592	0.7
343.15463	2.5
345.17087	0.5
353.14011	1.0
357.21216	0.2
361.16702	0.3
365.17709	0.3
367.19315	0.3
371.14944	0.8
383.18793	0.9
385.20093	0.3
393.16907	0.4
401.19785	0.9
411.18381	0.4
415.24963	2.2
429.19461	0.4
431.20743	2.4
432.21436	0.5
443.24466	0.6
447.09348	68.7
448.09668	7.3
487.23444	0.5
531.22565	0.3
533.24982	0.3
549.23431	100.0
550.23761	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31406	1.0
76.30258	0.6
107.01389	1.2
108.02170	1.2
109.02943	0.9
135.00841	0.9
147.38353	0.6
148.01715	1.4
151.00381	3.6
161.02435	0.6
163.00305	0.6
178.99883	3.9
179.01260	0.6
187.07712	0.7
191.05586	0.9
226.02722	1.3
227.03497	1.9
243.02963	7.5
254.02115	2.1
255.02994	21.1
256.03360	1.6
271.02487	44.8
272.02893	4.7
275.09308	1.9
299.01923	1.6
300.02765	85.2
301.03278	10.2
312.22186	0.6
354.30936	0.5
366.06631	0.6
390.95157	0.6
433.07797	4.4
446.23224	0.6
449.14346	1.4
494.10812	0.7
541.41528	0.7
565.12000	100.0
566.12341	13.3
569.66028	0.6
578.35571	0.7
END